Charm++> Running on Gemini (GNI) with 20 processes Charm++> static SMSG Charm++> SMSG memory: 98.8KB Charm++> memory pool init block size: 8MB, total memory pool limit 0MB (0 means no limit) Charm++> memory pool registered memory limit: 200000MB, send limit: 100000MB Charm++> only comm thread send/recv messages Charm++> Cray TLB page size: 8192K Charm++> Running in SMP mode: numNodes 20, 7 worker threads per process Charm++> The comm. thread both sends and receives messages Charm++> Using recursive bisection (scheme 3) for topology aware partitions Converse/Charm++ Commit ID: v6.7.1-rc1-0-gbdf6a1b-namd-charm-6.7.1-build-2016-Apr-16-49226 CharmLB> Load balancer assumes all CPUs are same. Charm++> cpu affinity enabled. Charm++> cpuaffinity PE-core map : 2-14:2 Charm++> set comm 0 on node 0 to core #0 Charm++> Running on 20 unique compute nodes (16-way SMP). Info: Built with CUDA version 7050 Did not find +devices i,j,k,... argument, using all Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 8 physical rank 1 will use CUDA device of pe 7 Pe 9 physical rank 2 will use CUDA device of pe 7 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 0 physical rank 0 will use CUDA device of pe 4 Pe 2 physical rank 2 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 1 physical rank 1 will use CUDA device of pe 4 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 13 physical rank 6 will use CUDA device of pe 7 Pe 7 physical rank 0 binding to CUDA device 0 on physical node 1: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Pe 4 physical rank 4 binding to CUDA device 0 on physical node 0: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Info: NAMD 2.11 for CRAY-XE-ugni-smp-BlueWaters-CUDA Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60701 for gemini_gni-crayxe-persistent-smp Info: Built Tue Sep 13 16:23:43 CDT 2016 by jphillip on h2ologin1 Info: Running on 140 processors, 20 nodes, 20 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 0.0294791 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.2461 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.3.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_membrane_0925/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: EXTENDED SYSTEM FILE MD.2.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 100.348 0 0 Info: PERIODIC CELL BASIS 2 0 98.5718 0 Info: PERIODIC CELL BASIS 3 0 0 76.866 Info: PERIODIC CELL CENTER -0.380358 -0.725538 1.44908 Info: WRAPPING WATERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: REMOVING LOAD FROM NODE 0 Info: REMOVING PATCHES FROM PROCESSOR 0 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE MD.2.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME MD.3.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.3.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.3 Info: RESTART FILENAME MD.3.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.99 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 17.49 Info: ENERGY OUTPUT STEPS 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 200 FS Info: DECAY TIME IS 100 FS Info: PISTON TEMPERATURE IS 300 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS -1.38116e-05 -1.38116e-05 2.44819e-05 Info: CELL FLUCTUATION IS ANISOTROPIC Info: SHAPE OF CELL IS CONSTRAINED IN X-Y PLANE Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 108 108 80 Info: PME MAXIMUM GRID SPACING 1 Info: Attempting to read FFTW data from system Info: Attempting to read FFTW data from FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 2 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1474889173 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_membrane_QwikMD.pdb Info: STRUCTURE FILE 1qhj_membrane_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES MD.2.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 10.4992 Info: Reading pdb file 1qhj_membrane_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.281052 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 80594 ATOMS Info: 65063 BONDS Info: 81337 ANGLES Info: 92351 DIHEDRALS Info: 987 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 66657 RIGID BONDS Info: 175125 DEGREES OF FREEDOM Info: 29198 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 29198 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 479053 amu Info: TOTAL CHARGE = 1.41375e-05 e Info: MASS DENSITY = 1.04628 g/cm^3 Info: ATOM DENSITY = 0.106001 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.2.restart.coor Info: Info: Entering startup at 11.5423 s, 153.223 MB of memory in use Info: Startup phase 0 took 0.000321186 s, 153.25 MB of memory in use Info: ADDED 238567 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.190593 s, 175.109 MB of memory in use Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 769 POINTS Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556 Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556 Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946 Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946 Info: Updated CUDA LJ table with 357 x 357 elements. Info: Updated CUDA force table with 4096 elements. Info: Startup phase 2 took 0.0101166 s, 179.711 MB of memory in use Info: Startup phase 3 took 0.000237137 s, 179.711 MB of memory in use Info: Startup phase 4 took 0.00177511 s, 183.188 MB of memory in use Info: Startup phase 5 took 0.000220602 s, 183.328 MB of memory in use Info: PATCH GRID IS 11 (PERIODIC) BY 5 (PERIODIC) BY 4 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.2.restart.vel Info: REMOVING COM VELOCITY 0.000485282 0.00161027 0.0217371 Info: LARGEST PATCH (161) HAS 426 ATOMS Info: TORUS A SIZE 24 USING 3 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 18 19 20 21 22 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 5 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0648543 s, 198.145 MB of memory in use Info: PME using 54 and 54 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 3 5 8 10 12 17 19 22 24 26 ... Info: PME TRANS LOCATIONS: 1 2 6 9 13 15 16 20 23 25 ... Info: PME USING 20 GRID NODES AND 20 TRANS NODES Info: Startup phase 7 took 0.272743 s, 198.938 MB of memory in use Info: Startup phase 8 took 0.00394701 s, 196.715 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.002499 s, 196.715 MB of memory in use Info: CREATING 7574 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 347 unique exclusion lists needing 1248 bytes Pe 3 hosts 0 local and 6 remote patches for pe 4 Pe 2 hosts 0 local and 7 remote patches for pe 4 Pe 4 hosts 0 local and 9 remote patches for pe 4 Pe 0 hosts 0 local and 5 remote patches for pe 4 Pe 1 hosts 0 local and 8 remote patches for pe 4 Pe 6 hosts 0 local and 12 remote patches for pe 4 Pe 5 hosts 0 local and 5 remote patches for pe 4 Pe 11 hosts 0 local and 6 remote patches for pe 7 Pe 7 hosts 0 local and 12 remote patches for pe 7 Pe 8 hosts 0 local and 5 remote patches for pe 7 Pe 9 hosts 0 local and 10 remote patches for pe 7 Pe 12 hosts 0 local and 5 remote patches for pe 7 Pe 10 hosts 0 local and 5 remote patches for pe 7 Pe 13 hosts 0 local and 8 remote patches for pe 7 Info: Startup phase 10 took 0.053596 s, 200.211 MB of memory in use Info: Building spanning tree ... send: 1 recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 Info: Startup phase 11 took 0.000428286 s, 200.379 MB of memory in use Info: Startup phase 12 took 0.000105952 s, 200.379 MB of memory in use Info: Finished startup at 12.1437 s, 200.379 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 52 remote patches and 0 local and 230 remote computes. Pe 7 has 0 local and 51 remote patches and 0 local and 253 remote computes. PRESSURE: 0 593.886 -75.9353 -5.05297 -75.9352 -427.696 76.1024 -5.05243 76.1018 13.1323 GPRESSURE: 0 513.763 -69.6947 -67.1325 21.2692 -338.665 69.9524 -4.04541 -5.23635 62.3699 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 3994.5655 20557.4671 14493.5490 253.5372 -203471.0323 2563.2125 0.0000 0.0000 51969.1675 -109639.5335 298.6675 -161608.7010 -109275.8899 298.6675 59.7741 79.1559 760315.0891 59.7741 79.1559 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 12.2422 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12.2424 LDB: =============== DONE WITH MIGRATION ================ 12.244 LDB: ============= START OF LOAD BALANCING ============== 12.5346 LDB: Largest compute 7075 load 0.025403 is 16.7% of average load 0.152527 LDB: Average compute 0.003474 is 2.3% of average load 0.152527 LDB: Partitioning computes with target load 0.015253 LDB: Increased migratable compute count from 1320 to 1320 LDB: Largest unpartitionable compute is 0.025403 LDB: ============== END OF LOAD BALANCING =============== 12.5393 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.5441 Info: Initial time: 140 CPUs 0.00373956 s/step 0.021641 days/ns 217.012 MB memory LDB: ============= START OF LOAD BALANCING ============== 12.6091 LDB: ============== END OF LOAD BALANCING =============== 12.6093 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.6111 LDB: ============= START OF LOAD BALANCING ============== 12.8697 LDB: Largest compute 7075 load 0.025483 is 16.7% of average load 0.152483 LDB: Average compute 0.003457 is 2.3% of average load 0.152483 LDB: TIME 12.8731 LOAD: AVG 0.152483 MAX 0.239126 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 220.664 MB LDB: TIME 12.8748 LOAD: AVG 0.152483 MAX 0.167928 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 TorusLB MEM: 220.82 MB LDB: ============== END OF LOAD BALANCING =============== 12.879 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.8841 PRESSURE: 200 -335.432 65.163 -32.4006 65.1637 -153.887 196.061 -32.4007 196.063 -338.12 GPRESSURE: 200 -268.658 13.8131 88.4896 36.9835 -126.795 210.101 19.0347 236.49 -352.743 PRESSAVG: 200 17.5102 -17.0956 -51.5931 -17.0956 -40.2902 14.9964 -51.5931 14.9963 19.0698 GPRESSAVG: 200 17.8659 -16.8506 -51.1793 -17.3254 -40.5929 13.5929 -52.982 16.9777 19.175 Info: Initial time: 140 CPUs 0.00322881 s/step 0.0186852 days/ns 221.301 MB memory TIMING: 200 CPU: 0.801584, 0.00362413/step Wall: 0.801584, 0.00362412/step, 5.0333 hours remaining, 221.503906 MB of memory in use. ENERGY: 200 4071.5868 20521.6300 14540.4641 241.9472 -203458.0936 2376.2869 0.0000 0.0000 52266.2090 -109439.9696 300.3746 -161706.1787 -109069.9105 299.3695 -275.8130 -249.3987 760296.5600 -1.2368 -1.1840 LDB: ============= START OF LOAD BALANCING ============== 13.195 LDB: Largest compute 7045 load 0.032249 is 16.7% of average load 0.193564 LDB: Average compute 0.004363 is 2.3% of average load 0.193564 LDB: TIME 13.1982 LOAD: AVG 0.193564 MAX 0.210462 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 221.738 MB LDB: TIME 13.1986 LOAD: AVG 0.193564 MAX 0.210462 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.758 MB LDB: TIME 13.1987 LOAD: AVG 0.193564 MAX 0.210462 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.758 MB LDB: ============== END OF LOAD BALANCING =============== 13.2009 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.2055 Info: Initial time: 140 CPUs 0.00310544 s/step 0.0179713 days/ns 223.664 MB memory LDB: ============= START OF LOAD BALANCING ============== 13.5177 LDB: Largest compute 7075 load 0.031757 is 16.4% of average load 0.193387 LDB: Average compute 0.004344 is 2.2% of average load 0.193387 LDB: TIME 13.5211 LOAD: AVG 0.193387 MAX 0.211198 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.664 MB LDB: TIME 13.5215 LOAD: AVG 0.193387 MAX 0.211198 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.742 MB LDB: TIME 13.5216 LOAD: AVG 0.193387 MAX 0.211198 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13.5238 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.5287 PRESSURE: 400 -392.941 3.13142 68.2332 3.13103 -172.912 27.6221 68.2334 27.6218 -92.8445 GPRESSURE: 400 -313.096 -64.9243 -17.3353 58.984 -186.062 53.9793 -21.1303 27.7893 -80.9791 PRESSAVG: 400 -51.5364 -41.649 -27.3175 -41.649 -11.2194 -0.232901 -27.3175 -0.232802 1.9389 GPRESSAVG: 400 -50.9147 -38.9043 -28.5594 -42.2688 -11.0254 -0.343599 -27.3089 0.173786 1.177 Info: Benchmark time: 140 CPUs 0.00312273 s/step 0.0180714 days/ns 221.738 MB memory TIMING: 400 CPU: 1.44623, 0.00322325/step Wall: 1.44623, 0.00322325/step, 4.47638 hours remaining, 221.738281 MB of memory in use. ENERGY: 400 4092.5378 20609.1205 14453.3760 228.0719 -203498.2920 2321.5470 0.0000 0.0000 52116.1964 -109677.4424 299.5125 -161793.6388 -109306.9686 299.5606 -219.5660 -193.3789 760497.8546 -20.2723 -20.2544 Info: Benchmark time: 140 CPUs 0.00310362 s/step 0.0179608 days/ns 221.738 MB memory PRESSURE: 600 72.7844 -23.1286 265.831 -23.1285 -222.47 54.5602 265.832 54.5602 81.2466 GPRESSURE: 600 169.689 97.5993 302.361 2.41944 -183.999 118.703 141.41 -8.72447 33.8005 PRESSAVG: 600 4.92205 -58.0499 15.1327 -58.0499 -7.85155 -18.5878 15.1328 -18.5878 20.2471 GPRESSAVG: 600 4.2317 -58.3294 15.3749 -60.1736 -8.38838 -18.3484 16.6373 -20.6846 21.4687 Info: Benchmark time: 140 CPUs 0.00312505 s/step 0.0180848 days/ns 221.738 MB memory TIMING: 600 CPU: 2.06933, 0.00311548/step Wall: 2.06933, 0.00311548/step, 4.32654 hours remaining, 221.738281 MB of memory in use. ENERGY: 600 3955.0348 20633.1443 14518.0521 254.5623 -203788.6308 2665.5398 0.0000 0.0000 51868.7037 -109893.5939 298.0902 -161762.2975 -109536.2240 298.4938 -22.8131 6.4970 759069.6457 5.7725 5.7707 Info: Benchmark time: 140 CPUs 0.00311024 s/step 0.017999 days/ns 221.738 MB memory PRESSURE: 800 -301.154 25.2434 61.7036 25.2439 180.722 33.7962 61.705 33.796 308.255 GPRESSURE: 800 -208.138 -65.9666 111.931 2.7951 117.489 -44.2433 51.04 105.89 347.686 PRESSAVG: 800 44.8847 -84.0412 25.5009 -84.0412 6.27843 10.4791 25.5009 10.4791 10.0213 GPRESSAVG: 800 44.7346 -84.6873 25.5967 -83.6457 5.65207 11.229 26.4047 8.57672 10.9514 Info: Benchmark time: 140 CPUs 0.00310928 s/step 0.0179935 days/ns 221.738 MB memory TIMING: 800 CPU: 2.6915, 0.00311087/step Wall: 2.6915, 0.00311087/step, 4.31996 hours remaining, 221.738281 MB of memory in use. ENERGY: 800 3998.2149 20612.6648 14450.4167 237.7897 -203572.4385 2575.5053 0.0000 0.0000 52046.6446 -109651.2025 299.1128 -161697.8471 -109287.2629 299.0350 62.6078 85.6793 758448.1046 20.3948 20.4460 Info: Benchmark time: 140 CPUs 0.00311428 s/step 0.0180225 days/ns 221.738 MB memory PRESSURE: 1000 -154.626 -19.1096 -16.1136 -19.1096 -8.37267 186.696 -16.1138 186.696 -105.5 GPRESSURE: 1000 2.40083 -51.2109 45.8643 -38.4696 -44.0132 137.192 83.7347 247.95 -149.914 PRESSAVG: 1000 -26.4782 -41.2087 11.0851 -41.2087 14.5862 5.3299 11.0852 5.32994 21.6893 GPRESSAVG: 1000 -25.8097 -41.4036 11.6965 -41.9271 14.4749 5.7606 9.64421 6.55746 20.6707 TIMING: 1000 CPU: 3.31369, 0.00311094/step Wall: 3.31369, 0.00311094/step, 4.31989 hours remaining, 221.738281 MB of memory in use. ENERGY: 1000 3993.2365 20429.2327 14454.1368 232.3230 -203141.1831 2352.3880 0.0000 0.0000 52125.5039 -109554.3621 299.5660 -161679.8660 -109191.9313 299.0995 -89.4996 -63.8422 761564.1205 3.2658 3.1120 PRESSURE: 1200 -142.547 -57.4697 58.4678 -57.4694 -340.629 -195.478 58.4681 -195.477 -192.535 GPRESSURE: 1200 -98.193 -4.69608 -50.6755 -103.621 -323.592 -158.443 -79.2547 -38.2842 -151.984 PRESSAVG: 1200 -13.9016 -36.6941 -6.35418 -36.6941 -14.2763 26.198 -6.35413 26.198 -3.90319 GPRESSAVG: 1200 -14.7972 -34.6527 -6.86253 -35.7783 -13.6294 25.8613 -8.36254 26.5344 -3.33549 TIMING: 1200 CPU: 3.93902, 0.00312665/step Wall: 3.93902, 0.00312665/step, 4.34152 hours remaining, 221.738281 MB of memory in use. ENERGY: 1200 4160.4970 20496.3586 14451.7241 256.8857 -202980.3618 2229.4100 0.0000 0.0000 52108.6638 -109276.8226 299.4692 -161385.4864 -108916.5120 298.7921 -225.2368 -191.2563 761438.4909 -10.6937 -10.5874 PRESSURE: 1400 330.852 -30.4041 119.41 -30.4038 -94.8414 -93.0567 119.409 -93.0567 -166.802 GPRESSURE: 1400 308.732 -24.9011 70.0005 -92.439 65.481 -114.908 169.282 -55.4688 -225.52 PRESSAVG: 1400 25.2653 -42.0504 42.957 -42.0505 -13.542 -28.2633 42.9571 -28.2633 -8.20827 GPRESSAVG: 1400 25.8858 -44.9394 42.9786 -42.2323 -12.3405 -25.8604 44.3697 -28.5552 -9.5726 TIMING: 1400 CPU: 4.56598, 0.00313478/step Wall: 4.56598, 0.00313478/step, 4.35264 hours remaining, 221.738281 MB of memory in use. ENERGY: 1400 3939.3655 20576.6615 14446.1006 252.7459 -203363.6538 2714.0984 0.0000 0.0000 52169.3104 -109265.3717 299.8177 -161434.6821 -108900.0661 299.4915 23.0696 49.5643 761288.2645 1.1717 1.3242 PRESSURE: 1600 -421.207 -47.92 -111.562 -47.9191 -212.155 22.8927 -111.562 22.8935 85.8965 GPRESSURE: 1600 -352.705 -117.338 -172.855 -70.5998 -169.597 31.3965 5.03778 -103.672 69.8232 PRESSAVG: 1600 35.5987 -11.0143 30.8939 -11.0142 -3.27482 51.8651 30.894 51.8651 -6.2379 GPRESSAVG: 1600 34.6035 -8.45503 30.1033 -11.0339 -2.85991 50.4465 30.92 52.3486 -5.6516 TIMING: 1600 CPU: 5.1916, 0.00312814/step Wall: 5.1916, 0.00312814/step, 4.34324 hours remaining, 221.738281 MB of memory in use. ENERGY: 1600 4040.3520 20508.2766 14487.5593 246.5195 -203660.3703 2886.8848 0.0000 0.0000 51910.9770 -109579.8011 298.3331 -161490.7781 -109217.7830 298.8520 -182.4886 -150.8262 761414.2650 8.6953 8.6973 PRESSURE: 1800 295.805 -54.9859 -125.633 -54.9861 650.146 -187.588 -125.633 -187.588 213.485 GPRESSURE: 1800 346.845 10.949 -127.289 -198.804 714.082 -200.612 -45.723 -198.399 200.445 PRESSAVG: 1800 -12.8272 -4.74194 8.97203 -4.74203 27.6703 11.6852 8.97203 11.6852 8.48162 GPRESSAVG: 1800 -11.6057 -4.51795 8.62028 -4.50538 26.6606 11.0003 10.1656 11.8938 8.74739 TIMING: 1800 CPU: 5.81337, 0.00310882/step Wall: 5.81337, 0.00310882/step, 4.31625 hours remaining, 221.738281 MB of memory in use. ENERGY: 1800 3916.0340 20443.1498 14523.2490 256.6938 -203580.9185 3022.1952 0.0000 0.0000 51906.5652 -109513.0315 298.3077 -161419.5967 -109162.5052 298.6834 386.4786 420.4577 760464.6765 7.7749 7.9341 PRESSURE: 2000 -93.1443 83.9793 177.943 83.9792 26.62 -231.657 177.943 -231.659 -429.486 GPRESSURE: 2000 -73.593 48.3386 200.205 -57.7406 34.5171 -118.779 114.913 -186.969 -368.982 PRESSAVG: 2000 -9.5163 -37.2321 -9.43291 -37.2321 -3.5524 -26.4137 -9.4329 -26.4137 14.3418 GPRESSAVG: 2000 -10.3675 -38.1528 -9.02079 -38.0307 -3.2992 -27.0166 -9.05836 -25.9858 14.267 TIMING: 2000 CPU: 6.43492, 0.00310774/step Wall: 6.43492, 0.00310774/step, 4.31458 hours remaining, 221.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000 3977.4257 20419.2558 14466.5350 242.6796 -203138.1153 2533.5582 0.0000 0.0000 51924.7337 -109573.9273 298.4122 -161498.6610 -109205.2361 298.8866 -165.3368 -136.0192 760618.5267 0.4244 0.2001 PRESSURE: 2200 80.7284 -190.063 -12.419 -190.063 111.867 -7.09974 -12.42 -7.09852 153.042 GPRESSURE: 2200 115.409 -262.938 -6.50969 -16.0118 108.726 50.8019 -124.581 -84.3157 203.354 PRESSAVG: 2200 -22.0049 -30.0246 -10.9923 -30.0247 -4.38311 31.6542 -10.9923 31.6541 -13.7505 GPRESSAVG: 2200 -21.1218 -29.7891 -10.156 -30.1801 -4.40566 31.9339 -11.4214 30.9892 -14.6229 TIMING: 2200 CPU: 7.05961, 0.00312348/step Wall: 7.05961, 0.00312348/step, 4.33626 hours remaining, 221.738281 MB of memory in use. ENERGY: 2200 3952.3683 20484.7520 14477.3813 232.1704 -202827.1167 2448.1682 0.0000 0.0000 52023.0797 -109209.1967 298.9774 -161232.2764 -108850.9064 299.7439 115.2125 142.4967 762880.3156 -13.3795 -13.3835 PRESSURE: 2400 -447.325 -199.575 -224.867 -199.576 19.6604 128.63 -224.866 128.63 91.0046 GPRESSURE: 2400 -271.414 -134.148 -251.335 -260.522 -114.739 48.612 -271.65 42.9499 130.814 PRESSAVG: 2400 14.7004 -63.0611 -16.9271 -63.0611 6.40842 -45.6243 -16.9272 -45.6243 4.22915 GPRESSAVG: 2400 14.726 -61.9945 -16.6047 -64.3856 6.4528 -46.7219 -20.0299 -46.2616 4.55585 TIMING: 2400 CPU: 7.68221, 0.003113/step Wall: 7.68221, 0.003113/step, 4.32153 hours remaining, 221.738281 MB of memory in use. ENERGY: 2400 3977.4399 20567.4396 14435.9424 264.5136 -202848.1616 2062.5814 0.0000 0.0000 52421.1282 -109119.1164 301.2649 -161540.2447 -108756.1781 300.3976 -112.2199 -85.1132 761165.9175 8.4460 8.5782 PRESSURE: 2600 -9.28476 -198.231 28.7189 -198.231 -252.289 -123.89 28.7193 -123.89 -425.236 GPRESSURE: 2600 -4.31825 -291.853 54.2084 -160.141 -220.77 -128.224 90.1162 -146.126 -373.854 PRESSAVG: 2600 -7.42471 -20.0145 2.5673 -20.0145 -34.3328 -14.1056 2.56732 -14.1056 -22.3414 GPRESSAVG: 2600 -8.53662 -19.7095 1.53638 -18.2425 -33.0992 -12.1913 5.3296 -13.7662 -21.8756 TIMING: 2600 CPU: 8.30866, 0.00313221/step Wall: 8.30866, 0.00313221/step, 4.34803 hours remaining, 221.738281 MB of memory in use. ENERGY: 2600 4061.5780 20492.3264 14459.8078 266.9914 -203010.0060 2318.4971 0.0000 0.0000 52122.7725 -109288.0329 299.5503 -161410.8054 -108924.2441 300.3383 -228.9368 -199.6473 761336.6860 -21.3663 -21.1705 PRESSURE: 2800 224.657 94.4724 94.6064 94.4723 159.244 29.2863 94.6063 29.2853 147.103 GPRESSURE: 2800 316.39 47.2863 18.7979 -7.64157 177.15 67.6777 112.891 -35.471 132.231 PRESSAVG: 2800 17.5367 -48.8079 -42.2567 -48.8079 -13.2387 -32.7652 -42.2566 -32.7653 11.0141 GPRESSAVG: 2800 18.7711 -49.2835 -42.983 -48.4411 -14.3221 -33.7555 -40.9231 -33.6409 11.0157 TIMING: 2800 CPU: 8.94057, 0.00315957/step Wall: 8.94057, 0.00315957/step, 4.38584 hours remaining, 221.738281 MB of memory in use. ENERGY: 2800 4050.0217 20405.1068 14523.2716 257.6083 -203178.0749 2491.0074 0.0000 0.0000 52350.2443 -109100.8147 300.8576 -161451.0591 -108729.4620 300.1386 177.0015 208.5902 759655.4310 5.1040 5.1549 PRESSURE: 3000 -386.822 -251.59 3.72817 -251.589 -196.221 66.0716 3.72808 66.0717 -7.2922 GPRESSURE: 3000 -356.716 -276.433 -58.7829 -314.222 -147.481 93.3295 -174.612 71.9686 -5.94146 PRESSAVG: 3000 2.28698 -81.1125 -13.57 -81.1125 10.908 -58.5709 -13.57 -58.571 12.5943 GPRESSAVG: 3000 1.37794 -81.4685 -12.1808 -81.9155 12.2166 -61.3001 -17.0683 -55.2703 11.9629 TIMING: 3000 CPU: 9.56606, 0.00312743/step Wall: 9.56606, 0.00312743/step, 4.34105 hours remaining, 221.738281 MB of memory in use. ENERGY: 3000 3940.8892 20602.8587 14476.4776 265.5178 -202804.5459 2184.2831 0.0000 0.0000 52375.0336 -108959.4860 301.0000 -161334.5196 -108585.5129 300.3458 -196.7781 -170.0464 760749.2835 8.5964 8.5191 PRESSURE: 3200 -95.627 -83.8935 114.802 -83.8926 63.7522 115.629 114.802 115.628 -663.675 GPRESSURE: 3200 9.71144 -80.8273 137.356 -140.368 2.95608 66.5188 110.919 12.1535 -632.569 PRESSAVG: 3200 66.1456 -14.412 15.0562 -14.412 -59.9934 8.12029 15.0562 8.12046 3.86623 GPRESSAVG: 3200 67.0322 -14.3391 13.4211 -14.6748 -61.0996 9.04531 18.1023 7.14034 3.56422 TIMING: 3200 CPU: 10.1891, 0.00311526/step Wall: 10.1891, 0.00311526/step, 4.32398 hours remaining, 221.738281 MB of memory in use. ENERGY: 3200 4030.7801 20601.6210 14510.5565 241.1112 -202787.9338 2380.4037 0.0000 0.0000 52079.7745 -108943.6867 299.3032 -161023.4612 -108585.7006 300.1937 -231.8499 -206.6340 762355.5515 3.3395 3.1656 PRESSURE: 3400 13.6247 -121.567 -47.8908 -121.567 399.77 63.0644 -47.8901 63.0637 109.455 GPRESSURE: 3400 28.588 -97.591 8.39468 -144.996 421.149 37.2983 81.1495 136.595 169.138 PRESSAVG: 3400 28.2159 48.7537 20.3581 48.7538 -24.2892 24.1189 20.3581 24.1189 -15.646 GPRESSAVG: 3400 27.1197 47.2124 21.3658 48.9793 -23.037 25.3219 21.6795 23.6967 -15.4376 TIMING: 3400 CPU: 10.8126, 0.00311745/step Wall: 10.8126, 0.00311745/step, 4.32685 hours remaining, 221.738281 MB of memory in use. ENERGY: 3400 3995.9739 20632.8881 14476.3435 244.0837 -203044.1536 2673.3498 0.0000 0.0000 52088.8831 -108932.6315 299.3555 -161021.5146 -108572.9039 300.1764 174.2835 206.2918 763187.2055 -3.9065 -3.7849 PRESSURE: 3600 -179.581 63.554 81.693 63.5545 -292.271 -214.915 81.6928 -214.914 -523.368 GPRESSURE: 3600 -190.944 49.4144 102.075 95.0671 -198.259 -263.686 0.222124 15.3008 -511.363 PRESSAVG: 3600 34.7571 -13.0574 -47.5142 -13.0573 -45.5231 26.5333 -47.5142 26.5333 -12.725 GPRESSAVG: 3600 35.2209 -11.441 -47.5308 -13.661 -45.0886 25.9796 -49.5882 27.6584 -13.1135 TIMING: 3600 CPU: 11.4361, 0.00311774/step Wall: 11.4361, 0.00311774/step, 4.32708 hours remaining, 221.738281 MB of memory in use. ENERGY: 3600 3949.0451 20589.5444 14539.4313 238.3909 -203110.3591 2429.5280 0.0000 0.0000 52139.6448 -109224.7746 299.6473 -161364.4195 -108849.3682 299.9820 -331.7399 -300.1886 763798.2560 -7.8303 -7.6604 PRESSURE: 3800 -402.415 95.697 238.489 95.6958 -146.943 -74.3794 238.489 -74.381 -276.366 GPRESSURE: 3800 -406.805 72.4436 280.077 73.3759 -170.363 -89.1957 299.305 -58.2301 -177.09 PRESSAVG: 3800 62.3382 36.5296 83.9683 36.5296 -41.1787 -13.0156 83.9683 -13.0156 13.5724 GPRESSAVG: 3800 61.315 37.5628 86.1504 38.2948 -40.5135 -12.0133 84.6335 -14.8923 14.8367 TIMING: 3800 CPU: 12.0613, 0.00312595/step Wall: 12.0613, 0.00312595/step, 4.3383 hours remaining, 221.738281 MB of memory in use. ENERGY: 3800 4064.6042 20528.3074 14405.4211 243.9034 -202984.0464 2276.9303 0.0000 0.0000 52090.7549 -109374.1251 299.3663 -161464.8800 -109010.6003 299.5546 -275.2413 -251.4192 762531.5442 11.5773 11.8794 PRESSURE: 4000 162.676 44.9446 79.7842 44.945 -101.066 -1.90524 79.7839 -1.90532 0.133761 GPRESSURE: 4000 253.862 124.316 150.277 90.5382 -106.628 -4.5888 93.5934 52.8115 -7.66275 PRESSAVG: 4000 -13.8621 66.2247 47.1136 66.2247 4.69809 -17.113 47.1136 -17.1131 -1.23139 GPRESSAVG: 4000 -11.8662 65.5432 47.221 65.327 3.262 -17.6175 45.488 -17.5721 -2.0342 TIMING: 4000 CPU: 12.6848, 0.00311718/step Wall: 12.6848, 0.00311718/step, 4.32596 hours remaining, 221.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4000 3933.1206 20467.5243 14520.7995 257.5769 -204073.2314 2964.3045 0.0000 0.0000 52280.2278 -109649.6778 300.4552 -161929.9056 -109296.6624 299.3605 20.5813 46.5236 760438.0355 -3.4651 -3.5461 PRESSURE: 4200 -228.826 -172.117 -187.961 -172.118 11.0339 13.8597 -187.961 13.8592 90.8643 GPRESSURE: 4200 -108.625 -111.119 -194.902 -171.312 4.08226 -1.11786 -151.905 54.3495 66.4459 PRESSAVG: 4200 57.8751 15.5158 13.7228 15.5157 -57.9836 -14.601 13.7228 -14.6012 10.0073 GPRESSAVG: 4200 57.4774 14.4744 15.2624 17.4132 -56.5044 -13.9343 14.8353 -15.1588 9.48793 TIMING: 4200 CPU: 13.3089, 0.00312052/step Wall: 13.3089, 0.00312052/step, 4.33042 hours remaining, 221.738281 MB of memory in use. ENERGY: 4200 3958.4766 20557.0150 14502.7024 245.1037 -203752.6802 2621.1619 0.0000 0.0000 52067.7476 -109800.4730 299.2341 -161868.2206 -109441.7406 298.7850 -42.3092 -12.6989 761250.7155 3.2996 3.4870 LDB: ============= START OF LOAD BALANCING ============== 25.7017 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 25.7019 LDB: =============== DONE WITH MIGRATION ================ 25.7037 LDB: ============= START OF LOAD BALANCING ============== 26.0136 LDB: Largest compute 7067 load 0.030603 is 15.7% of average load 0.194580 LDB: Average compute 0.004340 is 2.2% of average load 0.194580 LDB: TIME 26.0169 LOAD: AVG 0.19458 MAX 0.216589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.531 MB LDB: TIME 26.0173 LOAD: AVG 0.19458 MAX 0.216589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.734 MB LDB: TIME 26.0174 LOAD: AVG 0.19458 MAX 0.216589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 26.0193 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 26.024 PRESSURE: 4400 74.1657 42.7133 156.753 42.7127 277.201 -241.562 156.752 -241.563 -84.8017 GPRESSURE: 4400 175.966 134.729 207.542 76.2382 254.026 -193.067 88.781 -299.377 -66.532 PRESSAVG: 4400 -2.3408 -15.5776 -14.5551 -15.5776 8.7123 0.289977 -14.5551 0.290069 -24.2655 GPRESSAVG: 4400 -1.86921 -15.3582 -17.2317 -16.7821 7.20392 -0.895671 -13.3634 0.14572 -23.5744 TIMING: 4400 CPU: 13.9413, 0.00316227/step Wall: 13.9413, 0.00316227/step, 4.38818 hours remaining, 224.500000 MB of memory in use. ENERGY: 4400 3997.4665 20414.1290 14466.4288 244.1015 -203390.3098 2598.8903 0.0000 0.0000 51940.1287 -109729.1650 298.5006 -161669.2937 -109355.4651 298.9868 88.8552 121.1532 761092.2483 -5.9647 -6.0799 PRESSURE: 4600 -61.5677 -2.60042 3.69054 -2.60142 -149.831 -18.1794 3.68998 -18.1791 -108.415 GPRESSURE: 4600 -16.7957 79.4287 18.2922 -78.0586 -110.595 30.8728 -64.1572 -95.4963 -102.498 PRESSAVG: 4600 6.08418 21.8765 -7.65649 21.8764 -14.6911 -36.1854 -7.65649 -36.1855 10.3593 GPRESSAVG: 4600 5.59906 21.4481 -9.49509 21.8656 -14.4005 -35.4114 -9.70695 -36.6315 10.2197 TIMING: 4600 CPU: 14.5637, 0.00311206/step Wall: 14.5637, 0.00311206/step, 4.31833 hours remaining, 224.500000 MB of memory in use. ENERGY: 4600 4016.8354 20409.5883 14456.2498 235.5646 -203146.5797 2284.4646 0.0000 0.0000 52030.9256 -109712.9515 299.0224 -161743.8770 -109352.8092 298.7591 -106.6044 -76.6295 761065.2690 0.5841 0.4727 PRESSURE: 4800 -238.816 93.9954 -182.595 93.9958 -113.923 192.364 -182.595 192.364 -184.127 GPRESSURE: 4800 -247.895 -22.5824 -161.916 152.413 -115.62 190.957 -13.0351 265.929 -112.911 PRESSAVG: 4800 4.44963 -30.7843 5.9066 -30.7842 24.7897 9.36172 5.90659 9.36171 23.7812 GPRESSAVG: 4800 3.49414 -29.9732 9.8983 -32.5161 26.6238 8.40638 8.27013 11.4909 23.0117 TIMING: 4800 CPU: 15.1854, 0.00310804/step Wall: 15.1854, 0.00310804/step, 4.31258 hours remaining, 224.500000 MB of memory in use. ENERGY: 4800 4042.2454 20487.7466 14464.9341 231.7519 -203304.1693 2494.1893 0.0000 0.0000 52034.4325 -109548.8696 299.0426 -161583.3021 -109187.8467 298.9973 -178.9556 -158.8089 761342.6150 17.6735 17.7099 PRESSURE: 5000 -387.358 23.8962 12.8013 23.8962 122.99 18.3086 12.8016 18.3083 -360.726 GPRESSURE: 5000 -354.965 33.0402 24.2746 82.854 165.695 54.8282 10.2993 -142.019 -346.505 PRESSAVG: 5000 -12.046 6.55896 -24.6755 6.55892 -16.4879 30.9871 -24.6755 30.987 26.4982 GPRESSAVG: 5000 -12.0106 6.03659 -27.3783 5.33886 -16.8834 31.1288 -24.9008 28.0283 26.715 TIMING: 5000 CPU: 15.8073, 0.00310998/step Wall: 15.8073, 0.00310998/step, 4.31509 hours remaining, 224.500000 MB of memory in use. ENERGY: 5000 4017.3067 20430.2127 14482.7275 237.7930 -203188.4822 2412.8564 0.0000 0.0000 51891.0841 -109716.5018 298.2188 -161607.5859 -109351.6112 298.9644 -208.3648 -178.5915 762604.1973 -0.6786 -0.7263 PRESSURE: 5200 7.10836 -268.944 143.043 -268.945 -25.0159 224.057 143.044 224.057 -63.9175 GPRESSURE: 5200 13.8875 -176.532 181.891 -71.0291 73.0767 242.53 163.145 47.2589 -58.6511 PRESSAVG: 5200 31.3912 -28.4108 30.9301 -28.4108 -58.1055 -10.6565 30.9302 -10.6565 -0.595383 GPRESSAVG: 5200 31.102 -27.4852 30.6845 -23.5553 -57.9457 -9.61478 29.2819 -11.3992 0.113665 TIMING: 5200 CPU: 16.4308, 0.0031172/step Wall: 16.4308, 0.0031172/step, 4.32494 hours remaining, 224.500000 MB of memory in use. ENERGY: 5200 3994.2524 20430.5178 14426.7419 234.9808 -203323.1830 2610.0131 0.0000 0.0000 52000.5987 -109626.0783 298.8482 -161626.6770 -109267.4359 298.3560 -27.2750 9.4377 760751.0184 -9.1033 -8.9100 PRESSURE: 5400 255.241 -25.9221 142.628 -25.9218 100.122 -29.3722 142.63 -29.3713 540.284 GPRESSURE: 5400 285.013 -109.677 142.723 -175.024 147.812 -69.2408 185.363 8.57992 544.538 PRESSAVG: 5400 -1.329 -44.362 53.8087 -44.362 27.9963 29.7011 53.8087 29.701 6.3206 GPRESSAVG: 5400 -1.06412 -45.3215 54.8571 -44.98 27.4877 27.3535 55.4755 33.5367 6.63253 TIMING: 5400 CPU: 17.0546, 0.00311916/step Wall: 17.0546, 0.00311916/step, 4.32748 hours remaining, 224.500000 MB of memory in use. ENERGY: 5400 3906.8555 20418.6792 14487.0055 246.7304 -203002.5168 2379.0987 0.0000 0.0000 51889.8511 -109674.2964 298.2117 -161564.1475 -109307.2159 298.7566 298.5490 325.7875 761168.7040 10.9960 11.0187 PRESSURE: 5600 207.455 22.5237 163.94 22.524 -27.7991 -42.1894 163.941 -42.1893 362.917 GPRESSURE: 5600 253.267 103.516 159.725 36.275 -121.969 -53.1642 254.632 10.2797 488.849 PRESSAVG: 5600 57.1733 -56.5723 -10.4333 -56.5722 -42.3864 38.4925 -10.4332 38.4925 9.24841 GPRESSAVG: 5600 57.4036 -56.2169 -10.7173 -56.6634 -43.5435 38.657 -10.1217 38.2231 9.28835 TIMING: 5600 CPU: 17.6779, 0.00311637/step Wall: 17.6779, 0.00311637/step, 4.32345 hours remaining, 224.500000 MB of memory in use. ENERGY: 5600 3868.1105 20561.0693 14473.0437 237.2466 -203678.6614 2961.5103 0.0000 0.0000 51870.8506 -109706.8303 298.1025 -161577.6809 -109348.1176 298.7688 180.8575 206.7155 759359.2801 8.0118 7.7162 PRESSURE: 5800 156.263 -21.6773 -114.112 -21.677 141.406 87.748 -114.113 87.7488 84.2946 GPRESSURE: 5800 100.967 12.4027 -40.0357 -25.3154 228.096 -10.0684 -127.829 31.4887 157.287 PRESSAVG: 5800 15.094 -40.1074 27.7437 -40.1074 -31.4251 10.5401 27.7437 10.5401 8.36075 GPRESSAVG: 5800 13.4572 -39.1833 26.3681 -44.077 -29.6207 12.7486 28.5712 9.06934 8.60269 TIMING: 5800 CPU: 18.3019, 0.00311995/step Wall: 18.3019, 0.00311995/step, 4.32823 hours remaining, 224.500000 MB of memory in use. ENERGY: 5800 3919.9261 20479.1819 14372.5008 246.0645 -203478.3654 2562.5843 0.0000 0.0000 52288.4729 -109609.6350 300.5026 -161898.1079 -109236.2728 298.8339 127.3211 162.1168 760637.9806 -2.6568 -2.5203 PRESSURE: 6000 -8.60771 -6.63978 -71.3785 -6.64018 370.691 -6.86965 -71.379 -6.86949 419.742 GPRESSURE: 6000 31.0914 -37.03 -23.9715 -68.6085 410.187 70.9484 -64.9583 -17.7546 410.605 PRESSAVG: 6000 -28.5776 -50.6068 69.8258 -50.6069 -27.5278 20.5762 69.8258 20.5761 -2.9678 GPRESSAVG: 6000 -28.5717 -51.1877 69.9451 -49.2869 -27.812 20.4642 67.2273 20.9576 -2.53935 TIMING: 6000 CPU: 18.9254, 0.00311754/step Wall: 18.9254, 0.00311753/step, 4.32471 hours remaining, 224.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 6000 3932.8468 20649.9637 14575.3355 240.8449 -203831.6825 2663.8899 0.0000 0.0000 51957.4948 -109811.3068 298.6004 -161768.8017 -109452.0406 298.7514 260.6084 283.9613 760310.9613 -19.6911 -19.6410 PRESSURE: 6200 73.2944 -286.468 -46.9251 -286.469 -17.6846 -99.5827 -46.925 -99.5835 -111.429 GPRESSURE: 6200 99.8686 -216.054 -145.395 -264.434 17.2418 -146.262 117.583 42.8452 -90.7334 PRESSAVG: 6200 53.8759 -49.1372 28.3331 -49.1371 0.0946354 -18.1221 28.3331 -18.1221 2.01882 GPRESSAVG: 6200 54.6374 -50.3254 27.9997 -49.5233 0.461515 -20.1775 28.4571 -17.1741 0.747542 TIMING: 6200 CPU: 19.5459, 0.00310276/step Wall: 19.5459, 0.00310276/step, 4.30404 hours remaining, 224.500000 MB of memory in use. ENERGY: 6200 3920.7591 20576.0610 14520.8891 254.6923 -203831.3322 2826.1798 0.0000 0.0000 51842.1069 -109890.6441 297.9373 -161732.7511 -109532.4711 298.3914 -18.6065 8.7923 761304.7169 18.6631 18.6155 PRESSURE: 6400 -10.0172 91.5229 -117.724 91.522 219.787 219.715 -117.723 219.716 61.2725 GPRESSURE: 6400 25.9063 65.3686 -104.365 145.144 174.636 207.076 -136.84 245.325 155.896 PRESSAVG: 6400 -9.319 -47.6387 3.2926 -47.6387 -3.63926 -13.2494 3.29258 -13.2494 11.971 GPRESSAVG: 6400 -8.68585 -45.2071 4.2928 -48.3629 -4.88135 -13.7598 3.62189 -13.7663 12.2149 TIMING: 6400 CPU: 20.1693, 0.00311679/step Wall: 20.1693, 0.00311679/step, 4.32333 hours remaining, 224.500000 MB of memory in use. ENERGY: 6400 3930.7156 20594.5102 14428.8247 256.6530 -203905.7356 2880.0832 0.0000 0.0000 51872.1376 -109942.8112 298.1099 -161814.9489 -109585.6287 298.1949 90.3474 118.8130 761699.8890 -0.3291 -0.4508 PRESSURE: 6600 -234.825 70.444 344.637 70.4438 147.246 -237.692 344.637 -237.692 51.0286 GPRESSURE: 6600 -66.8936 20.4623 399.99 -34.6985 108.678 -233.848 384.275 -231.064 16.9313 PRESSAVG: 6600 34.991 -33.859 35.745 -33.8591 -4.95066 -2.48543 35.745 -2.48551 -8.63679 GPRESSAVG: 6600 35.8944 -34.4652 36.1813 -33.3723 -4.70812 -0.806399 34.7383 -2.70827 -9.68802 TIMING: 6600 CPU: 20.7917, 0.00311184/step Wall: 20.7917, 0.00311184/step, 4.31629 hours remaining, 224.500000 MB of memory in use. ENERGY: 6600 3999.1368 20556.9326 14471.1382 236.0459 -203771.4086 2676.8394 0.0000 0.0000 51869.3127 -109962.0029 298.0937 -161831.3156 -109608.4947 298.1936 -12.1835 19.5718 760030.6137 7.1345 7.1661 PRESSURE: 6800 -45.2296 0.708587 148.543 0.709041 -121.764 -21.6913 148.543 -21.6903 -421.308 GPRESSURE: 6800 -8.61274 92.2102 134.615 41.5037 -0.121618 -129.788 198.597 -21.7041 -494.891 PRESSAVG: 6800 24.8301 -101.329 -40.3422 -101.329 -40.9883 -8.48825 -40.3422 -8.48821 6.99117 GPRESSAVG: 6800 23.7179 -103.428 -40.2473 -100.099 -39.5676 -9.41186 -40.1649 -10.8125 6.84658 TIMING: 6800 CPU: 21.4171, 0.00312705/step Wall: 21.4171, 0.00312705/step, 4.33723 hours remaining, 224.500000 MB of memory in use. ENERGY: 6800 4044.2141 20278.5199 14500.6363 258.8394 -204015.1037 2764.4489 0.0000 0.0000 52037.0277 -110131.4174 299.0575 -162168.4451 -109763.8540 298.3416 -196.1005 -167.8750 761069.3038 -3.0557 -3.0010 PRESSURE: 7000 141.015 136.862 -80.4184 136.863 402.483 149.505 -80.4187 149.504 317.783 GPRESSURE: 7000 107.675 99.1067 13.9752 104.819 506.47 213.537 -193.363 75.6742 321.351 PRESSAVG: 7000 -36.8041 -41.9535 53.903 -41.9535 34.3472 -16.6639 53.903 -16.6639 4.19037 GPRESSAVG: 7000 -37.77 -40.6268 54.1201 -42.2682 33.8687 -17.8647 53.2435 -12.1652 5.14849 TIMING: 7000 CPU: 22.0411, 0.00311995/step Wall: 22.0411, 0.00311995/step, 4.32719 hours remaining, 224.500000 MB of memory in use. ENERGY: 7000 4003.5938 20359.2240 14464.5817 269.1709 -203949.8162 2980.6958 0.0000 0.0000 51874.7432 -109997.8069 298.1249 -161872.5501 -109642.9624 297.7862 287.0939 311.8322 761591.8644 0.5778 0.4157 PRESSURE: 7200 183.286 174.91 96.2441 174.91 8.07086 -127.332 96.2437 -127.333 -310.363 GPRESSURE: 7200 273.789 179.498 92.4877 175.653 -13.0971 -204.378 149.824 -175.478 -294.37 PRESSAVG: 7200 16.9241 24.0537 51.8432 24.0537 -17.8495 1.74337 51.8432 1.74337 -0.699188 GPRESSAVG: 7200 18.3124 25.0303 51.9334 20.8982 -18.4009 2.34588 51.5571 -1.60486 -1.91236 TIMING: 7200 CPU: 22.6654, 0.00312157/step Wall: 22.6654, 0.00312157/step, 4.32926 hours remaining, 224.500000 MB of memory in use. ENERGY: 7200 4019.4738 20304.7360 14394.5001 246.8041 -203900.4235 2925.2654 0.0000 0.0000 51958.5184 -110051.1257 298.6063 -162009.6441 -109690.8466 298.0452 -39.6688 -11.2260 761508.9856 -0.5415 -0.6669 PRESSURE: 7400 -129.087 -161.726 -109.382 -161.726 -61.0087 111.598 -109.382 111.599 281.38 GPRESSURE: 7400 -34.8822 -184.113 -63.3515 -133.072 -44.5914 131.424 -34.1417 191.253 251.597 PRESSAVG: 7400 12.4744 -19.3218 -14.0778 -19.3218 27.5809 -20.7922 -14.0777 -20.7922 5.37691 GPRESSAVG: 7400 13.1397 -21.9966 -15.9229 -15.1932 25.7242 -19.6684 -12.3003 -19.1828 6.79633 TIMING: 7400 CPU: 23.2883, 0.00311473/step Wall: 23.2883, 0.00311473/step, 4.31961 hours remaining, 224.500000 MB of memory in use. ENERGY: 7400 3948.4154 20664.3270 14384.7198 235.8757 -203161.8965 2294.0353 0.0000 0.0000 51595.8217 -110038.7015 296.5219 -161634.5233 -109680.5850 297.9755 30.4282 57.3745 760044.5796 15.1440 15.2201 PRESSURE: 7600 23.0661 97.3599 -71.8855 97.3602 218.868 1.47111 -71.8861 1.46994 197.21 GPRESSURE: 7600 -20.0838 47.2773 -11.9024 -13.6772 242.245 13.0043 27.7425 28.5644 282.961 PRESSAVG: 7600 15.2136 -77.3122 24.4644 -77.3121 -38.6024 -6.51575 24.4644 -6.51571 9.44312 GPRESSAVG: 7600 14.5965 -73.8456 26.4335 -77.1967 -37.3898 -6.74595 24.4414 -4.5322 8.28591 TIMING: 7600 CPU: 23.9098, 0.00310726/step Wall: 23.9098, 0.00310726/step, 4.30908 hours remaining, 224.500000 MB of memory in use. ENERGY: 7600 3950.3796 20533.8326 14466.2704 244.7459 -203889.0729 2814.3451 0.0000 0.0000 51572.5556 -110306.9438 296.3882 -161879.4994 -109941.4427 297.5443 146.3814 168.3740 760693.1869 -4.6486 -4.8358 PRESSURE: 7800 -50.3388 16.4672 98.7923 16.4677 -61.4407 118.585 98.7925 118.585 459.402 GPRESSURE: 7800 -8.39834 -8.59641 201.297 -102.541 69.2848 181.476 -43.5267 67.9552 407.71 PRESSAVG: 7800 58.0943 -56.3369 9.46902 -56.3369 -16.6436 21.3852 9.46901 21.3853 19.3131 GPRESSAVG: 7800 58.2449 -57.5587 8.08297 -57.7817 -16.2373 21.7472 9.31131 20.8185 19.0857 TIMING: 7800 CPU: 24.5336, 0.00311907/step Wall: 24.5336, 0.00311907/step, 4.32528 hours remaining, 224.500000 MB of memory in use. ENERGY: 7800 3878.4901 20422.7751 14468.2056 246.1035 -203867.7661 2757.4825 0.0000 0.0000 51831.0143 -110263.6949 297.8736 -162094.7093 -109914.0392 297.3455 115.8743 156.1989 759779.7007 20.2546 20.3644 PRESSURE: 8000 -318.856 -14.2888 130.488 -14.2884 -193.796 62.1759 130.488 62.1766 -201.439 GPRESSURE: 8000 -313.094 117.146 217.104 4.04356 -142.555 14.6575 74.9098 39.8514 -153.456 PRESSAVG: 8000 54.6477 -54.0653 18.2061 -54.0653 -52.5081 -3.86147 18.2061 -3.86144 -29.6022 GPRESSAVG: 8000 54.7323 -53.6391 18.0788 -54.4139 -52.6229 -3.60744 16.9902 -5.67406 -29.7368 TIMING: 8000 CPU: 25.1584, 0.00312424/step Wall: 25.1584, 0.00312424/step, 4.33228 hours remaining, 224.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 8000 3956.2405 20432.1862 14449.3254 266.0612 -203813.7660 2751.5345 0.0000 0.0000 51704.0681 -110254.3501 297.1440 -161958.4182 -109890.1592 297.7171 -238.0303 -203.0348 760387.6615 -9.1542 -9.2091 PRESSURE: 8200 229.406 -59.7241 -92.208 -59.7241 66.241 -54.7068 -92.2088 -54.707 552.872 GPRESSURE: 8200 268.267 -28.3405 12.0387 -174.627 126.357 -41.4272 -5.86343 -40.8935 545.443 PRESSAVG: 8200 54.2381 5.53571 -12.0919 5.53573 -52.5739 -28.7163 -12.0919 -28.7163 20.6147 GPRESSAVG: 8200 53.3484 4.23852 -11.8431 5.4617 -52.3216 -29.0115 -10.7772 -30.2138 21.6386 TIMING: 8200 CPU: 25.7801, 0.00310827/step Wall: 25.7801, 0.00310827/step, 4.30996 hours remaining, 224.500000 MB of memory in use. ENERGY: 8200 3955.2674 20477.4479 14414.9365 252.1388 -203990.8769 2871.9297 0.0000 0.0000 51991.3139 -110027.8426 298.7948 -162019.1565 -109676.4220 297.7760 282.8394 313.3558 759826.9721 7.4263 7.5551 LDB: ============= START OF LOAD BALANCING ============== 38.1758 LDB: ============== END OF LOAD BALANCING =============== 38.176 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.1778 LDB: ============= START OF LOAD BALANCING ============== 38.4912 LDB: Largest compute 7067 load 0.032785 is 16.8% of average load 0.194658 LDB: Average compute 0.004385 is 2.3% of average load 0.194658 LDB: TIME 38.4946 LOAD: AVG 0.194658 MAX 0.214347 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.465 MB LDB: TIME 38.495 LOAD: AVG 0.194658 MAX 0.214347 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.543 MB LDB: TIME 38.4951 LOAD: AVG 0.194658 MAX 0.214347 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.543 MB LDB: ============== END OF LOAD BALANCING =============== 38.4969 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.5016 PRESSURE: 8400 134.666 37.7773 146.729 37.7768 181.658 127.833 146.729 127.833 59.8033 GPRESSURE: 8400 244.214 51.1274 108.224 79.0562 129.139 148.985 88.5824 67.5779 81.6786 PRESSAVG: 8400 38.1087 11.9702 -21.2102 11.9702 8.09013 -1.95966 -21.2102 -1.95961 -21.5307 GPRESSAVG: 8400 39.8205 15.6789 -21.8074 13.4418 6.48116 -2.25722 -23.1106 -0.901018 -21.8896 TIMING: 8400 CPU: 26.4188, 0.00319342/step Wall: 26.4188, 0.00319342/step, 4.42785 hours remaining, 225.226562 MB of memory in use. ENERGY: 8400 3888.0924 20407.1433 14441.0247 257.3725 -203782.8967 2575.8614 0.0000 0.0000 52018.1360 -110195.2664 298.9489 -162213.4024 -109832.7235 298.0788 125.3759 151.6772 758310.7965 8.2227 8.1374 PRESSURE: 8600 -112.028 181.196 -13.3779 181.196 146.397 -88.863 -13.3785 -88.8633 79.6766 GPRESSURE: 8600 -170.91 27.729 -61.5576 91.2165 179.708 -56.7626 133.469 54.3518 180.883 PRESSAVG: 8600 16.4134 9.48416 40.5474 9.48412 0.768011 9.0642 40.5473 9.06426 9.27669 GPRESSAVG: 8600 15.4971 6.63911 41.4077 9.88008 2.422 10.421 43.138 10.5121 9.45143 TIMING: 8600 CPU: 27.0397, 0.00310449/step Wall: 27.0397, 0.00310449/step, 4.30438 hours remaining, 225.296875 MB of memory in use. ENERGY: 8600 3951.7271 20454.4064 14517.2419 265.1088 -204032.3571 2714.2812 0.0000 0.0000 51857.3816 -110272.2103 298.0251 -162129.5919 -109922.3133 298.0404 38.0153 63.2269 760546.3300 8.8194 9.1235 PRESSURE: 8800 179.937 165.997 15.2336 165.996 -660.652 35.8023 15.2341 35.8026 -264.764 GPRESSURE: 8800 197.049 85.0783 32.1101 121.892 -618.449 48.3886 -204.838 65.3207 -253.45 PRESSAVG: 8800 14.6647 -70.647 -30.7979 -70.647 -17.8632 9.56171 -30.7978 9.5617 -0.169807 GPRESSAVG: 8800 14.7132 -70.3413 -30.7871 -74.0092 -18.2402 8.2666 -32.5519 9.07807 0.27335 TIMING: 8800 CPU: 27.6619, 0.00311117/step Wall: 27.6619, 0.00311117/step, 4.31347 hours remaining, 225.296875 MB of memory in use. ENERGY: 8800 3973.8929 20534.1267 14428.5205 246.8808 -203446.6118 2360.1788 0.0000 0.0000 51952.6537 -109950.3585 298.5726 -161903.0121 -109594.8387 298.4703 -248.4929 -224.9499 760115.5782 -1.1228 -1.0845 PRESSURE: 9000 -231.411 80.5489 127.639 80.5493 263.74 387.267 127.639 387.267 76.2227 GPRESSURE: 9000 -278.354 92.5856 149.828 107.422 317.295 322.117 104.604 438.066 174.226 PRESSAVG: 9000 37.5281 -56.2211 -84.397 -56.2212 -10.9892 80.7308 -84.397 80.7308 -8.29223 GPRESSAVG: 9000 37.2611 -54.9274 -84.1664 -52.9206 -11.4478 81.8297 -86.5731 80.632 -7.0562 TIMING: 9000 CPU: 28.2846, 0.00311331/step Wall: 28.2846, 0.00311331/step, 4.31626 hours remaining, 225.296875 MB of memory in use. ENERGY: 9000 3958.8407 20456.2426 14501.5807 250.8496 -203942.4080 2743.4603 0.0000 0.0000 52077.4374 -109953.9965 299.2897 -162031.4339 -109585.4122 298.5545 36.1838 71.0556 760174.4671 6.0822 6.2524 PRESSURE: 9200 330.995 28.4951 -222.457 28.4951 -114.617 -148.066 -222.456 -148.066 601.94 GPRESSURE: 9200 416.728 38.2396 -310.043 119.47 -64.831 -42.6415 -45.0439 -180.869 547.947 PRESSAVG: 9200 50.0135 -42.2371 -53.7938 -42.237 -17.68 34.6153 -53.7939 34.6153 4.34601 GPRESSAVG: 9200 50.5575 -45.0719 -52.8473 -40.8449 -17.3762 32.6352 -52.3026 33.4087 3.28305 TIMING: 9200 CPU: 28.9087, 0.00312075/step Wall: 28.9087, 0.00312075/step, 4.32641 hours remaining, 225.296875 MB of memory in use. ENERGY: 9200 3942.6720 20439.3045 14419.3049 240.6801 -203815.8813 2680.7231 0.0000 0.0000 52166.7624 -109926.4343 299.8031 -162093.1967 -109549.5686 298.9203 272.7728 299.9480 759538.9334 12.2265 12.1548 PRESSURE: 9400 -42.3424 21.2888 -135.691 21.2891 -248.766 53.1675 -135.691 53.1675 92.5372 GPRESSURE: 9400 -2.86234 15.6869 -143.866 -25.0023 -107.206 58.161 -116.592 75.9323 -5.47782 PRESSAVG: 9400 48.7665 -45.9679 -59.9082 -45.9679 -70.7569 10.2536 -59.9082 10.2536 13.3213 GPRESSAVG: 9400 49.0169 -44.8588 -62.0402 -48.8536 -70.2194 10.7559 -61.9528 12.0653 12.2753 TIMING: 9400 CPU: 29.5352, 0.00313262/step Wall: 29.5352, 0.00313262/step, 4.34268 hours remaining, 225.296875 MB of memory in use. ENERGY: 9400 3957.1490 20424.7829 14566.1586 226.3744 -203436.7597 2381.0399 0.0000 0.0000 51829.9766 -110051.2783 297.8676 -161881.2549 -109685.1508 298.4822 -66.1904 -38.5155 762075.9377 -2.8897 -2.9757 PRESSURE: 9600 -87.8787 46.0195 -14.9278 46.0195 -43.3994 -70.5275 -14.9283 -70.5276 -220.473 GPRESSURE: 9600 -70.5102 -14.9167 -46.3688 82.9941 -38.3209 -17.6396 111.789 -161.363 -141.033 PRESSAVG: 9600 52.229 -30.1894 -40.3833 -30.1893 -86.4061 -43.8278 -40.3834 -43.8279 -17.2414 GPRESSAVG: 9600 52.1888 -27.9395 -40.8394 -30.8088 -86.9649 -42.3808 -37.7097 -44.0553 -16.2735 TIMING: 9600 CPU: 30.1634, 0.00314074/step Wall: 30.1634, 0.00314074/step, 4.35377 hours remaining, 225.296875 MB of memory in use. ENERGY: 9600 4014.6419 20480.4853 14464.7663 248.1804 -203600.2522 2574.8742 0.0000 0.0000 51757.0349 -110060.2693 297.4484 -161817.3042 -109707.5002 298.1443 -117.2502 -83.2880 761200.3475 -17.1395 -17.0165 PRESSURE: 9800 -453.094 -256.968 120.154 -256.967 -397.701 -37.6831 120.155 -37.6821 115.93 GPRESSURE: 9800 -304.599 -269.399 85.1154 -385.189 -306.712 -12.4023 250.961 -29.9666 -8.61346 PRESSAVG: 9800 -35.3767 -27.5001 6.53718 -27.5001 43.8152 -7.55925 6.53716 -7.55925 5.15831 GPRESSAVG: 9800 -35.3087 -29.4108 8.59685 -25.5606 43.3889 -7.96143 6.37743 -8.50811 5.18128 TIMING: 9800 CPU: 30.7939, 0.00315258/step Wall: 30.7939, 0.00315258/step, 4.37001 hours remaining, 225.296875 MB of memory in use. ENERGY: 9800 4030.7941 20518.4111 14479.0402 243.5698 -203335.3996 2272.8080 0.0000 0.0000 51765.5408 -110025.2356 297.4973 -161790.7764 -109671.7884 298.4356 -244.9548 -206.6417 760780.5246 4.5323 4.4205 PRESSURE: 10000 -298.303 -271.38 -53.0259 -271.38 -384.142 -140.93 -53.0262 -140.931 371.889 GPRESSURE: 10000 -227.452 -199.525 -89.1469 -281.292 -271.488 -46.0564 5.51426 -117.175 274.273 PRESSAVG: 10000 1.8294 -69.8542 5.398 -69.8542 17.4204 14.6378 5.39804 14.6378 23.6081 GPRESSAVG: 10000 1.74184 -70.8736 5.28976 -69.6019 17.3675 14.8567 5.9322 15.4205 23.2136 TIMING: 10000 CPU: 31.4201, 0.00313109/step Wall: 31.4201, 0.00313109/step, 4.34004 hours remaining, 225.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 10000 3933.4304 20523.7698 14421.6569 231.4110 -203543.1751 2374.3202 0.0000 0.0000 52177.6572 -109880.9298 299.8657 -162058.5870 -109517.9065 298.5897 -103.5185 -74.8892 759958.7059 14.2860 14.1076 PRESSURE: 10200 119.829 236.999 -138.707 236.999 -50.664 95.0921 -138.706 95.0926 -207.265 GPRESSURE: 10200 151.567 264.232 -108.774 178.058 27.1558 -45.4243 -272.877 101.831 -226.281 PRESSAVG: 10200 11.4842 -78.6701 71.0098 -78.6701 22.2463 -52.0487 71.0098 -52.0486 4.155 GPRESSAVG: 10200 12.0745 -78.8653 70.937 -78.0106 22.4317 -52.8137 69.3575 -52.959 3.22742 TIMING: 10200 CPU: 32.0448, 0.00312314/step Wall: 32.0448, 0.00312314/step, 4.32884 hours remaining, 225.296875 MB of memory in use. ENERGY: 10200 3956.5310 20478.2591 14445.1384 233.4618 -203350.7356 2382.0008 0.0000 0.0000 51873.2285 -109982.1160 298.1162 -161855.3444 -109611.5274 298.7339 -46.0331 -15.8529 759288.5826 12.6285 12.5778 PRESSURE: 10400 138.732 -196.853 22.0529 -196.855 96.0302 269.95 22.0527 269.95 630.88 GPRESSURE: 10400 138.434 -136.37 67.9755 -46.2198 230.884 241.905 -36.106 254.489 580.464 PRESSAVG: 10400 25.0749 -19.1985 25.4224 -19.1985 -59.697 8.55626 25.4224 8.55614 28.4159 GPRESSAVG: 10400 23.924 -18.2963 25.391 -22.1327 -58.9766 8.90727 24.6858 7.88879 28.8711 TIMING: 10400 CPU: 32.6681, 0.00311662/step Wall: 32.6681, 0.00311662/step, 4.31964 hours remaining, 225.296875 MB of memory in use. ENERGY: 10400 3907.1768 20441.3530 14434.3323 233.2696 -203377.0367 2446.0490 0.0000 0.0000 52146.3168 -109768.5392 299.6856 -161914.8560 -109406.4799 298.7597 288.5474 316.5939 758337.5446 -2.0687 -2.0605 PRESSURE: 10600 -41.0143 -157.37 -56.6443 -157.37 -21.2904 -37.2558 -56.6424 -37.2549 -196.162 GPRESSURE: 10600 -41.9437 -116.872 12.0859 -71.0664 48.4314 -8.33283 24.0697 77.6719 -165.342 PRESSAVG: 10600 27.6903 -37.752 -13.2716 -37.7519 8.80413 -7.67343 -13.2716 -7.67341 -16.341 GPRESSAVG: 10600 28.251 -36.9502 -12.1967 -33.4463 8.59289 -5.5248 -13.7311 -5.71752 -17.0133 TIMING: 10600 CPU: 33.2936, 0.00312774/step Wall: 33.2936, 0.00312773/step, 4.33487 hours remaining, 225.296875 MB of memory in use. ENERGY: 10600 3964.7800 20397.6179 14481.6637 256.9021 -203464.8063 2549.1798 0.0000 0.0000 51962.7978 -109851.8651 298.6309 -161814.6629 -109489.7644 298.5640 -86.1554 -52.9515 759063.1303 6.7178 6.6102 PRESSURE: 10800 -100.773 -110.995 113.265 -110.996 106.503 -94.8132 113.266 -94.8141 -7.2606 GPRESSURE: 10800 -22.6354 -238.443 170.051 -121.404 102.546 -149.753 -10.04 -177.92 8.71081 PRESSAVG: 10800 -0.746665 -63.0335 20.0821 -63.0334 6.42568 22.0213 20.0821 22.0214 10.3213 GPRESSAVG: 10800 -0.156206 -64.1797 19.1654 -63.7442 4.74219 19.8183 22.2974 20.9316 11.4602 TIMING: 10800 CPU: 33.9217, 0.00314029/step Wall: 33.9217, 0.00314029/step, 4.35209 hours remaining, 225.296875 MB of memory in use. ENERGY: 10800 4002.2474 20520.3883 14478.3843 248.9564 -203449.7737 2325.1049 0.0000 0.0000 52096.1949 -109778.4975 299.3975 -161874.6924 -109418.8641 298.8900 -0.5101 29.5406 759127.1011 5.3334 5.3487 PRESSURE: 11000 -124.791 -225.066 -50.9696 -225.067 133.464 -148.473 -50.9695 -148.472 136.042 GPRESSURE: 11000 -121.183 -176.639 33.0634 -121.725 195.994 -143.146 -45.0548 29.8897 152.635 PRESSAVG: 11000 -6.67189 -86.7027 -48.464 -86.7027 -13.355 -35.801 -48.4639 -35.8011 2.81774 GPRESSAVG: 11000 -6.62584 -86.381 -48.137 -87.29 -13.3195 -36.0754 -50.3411 -33.679 2.43686 TIMING: 11000 CPU: 34.5502, 0.0031426/step Wall: 34.5502, 0.0031426/step, 4.35513 hours remaining, 225.296875 MB of memory in use. ENERGY: 11000 4030.2597 20588.4914 14438.0886 252.9601 -203746.1445 2647.0261 0.0000 0.0000 52078.4656 -109710.8530 299.2957 -161789.3187 -109348.4890 299.2346 48.2385 75.8154 760168.1113 -5.7364 -5.8362 PRESSURE: 11200 -302.226 -53.4739 -118.432 -53.4741 43.91 5.73766 -118.432 5.73894 -466.065 GPRESSURE: 11200 -294.043 2.92021 -136.287 -13.3536 36.0617 -35.1036 -28.7497 28.0103 -397.218 PRESSAVG: 11200 -2.96253 -100.812 -40.9099 -100.812 13.5481 14.4661 -40.9099 14.4662 -6.96959 GPRESSAVG: 11200 -2.66849 -100.161 -42.0009 -100.432 13.7254 15.327 -39.3788 13.7771 -7.81247 TIMING: 11200 CPU: 35.1729, 0.00311331/step Wall: 35.1729, 0.00311331/step, 4.31435 hours remaining, 225.296875 MB of memory in use. ENERGY: 11200 3951.7951 20545.3733 14501.9452 252.3040 -203383.3400 2336.5905 0.0000 0.0000 52359.2217 -109436.1102 300.9092 -161795.3319 -109067.1399 299.4630 -241.4603 -218.3998 761251.4919 1.2053 1.0815 PRESSURE: 11400 511.551 -247.662 -90.8953 -247.663 124.078 142.917 -90.8952 142.918 282.369 GPRESSURE: 11400 601.451 -254.933 -54.8013 -73.787 185.635 171.84 -181.435 107.245 233.997 PRESSAVG: 11400 35.679 -41.9955 -15.6989 -41.9955 -13.9656 20.0464 -15.6987 20.0464 8.84926 GPRESSAVG: 11400 35.1504 -40.0006 -16.6998 -43.2048 -13.0405 20.1588 -13.8442 19.0765 8.9952 TIMING: 11400 CPU: 35.7972, 0.00312164/step Wall: 35.7972, 0.00312164/step, 4.32573 hours remaining, 225.296875 MB of memory in use. ENERGY: 11400 3983.4823 20588.5495 14491.8141 260.2949 -203728.8785 2903.2411 0.0000 0.0000 51999.5164 -109501.9801 298.8419 -161501.4966 -109137.7822 299.3608 305.9994 340.3609 759823.1883 10.1875 10.3684 PRESSURE: 11600 -230.814 -183.824 -144.989 -183.825 -348.076 98.2374 -144.989 98.2377 -311.381 GPRESSURE: 11600 -269.575 -313.92 -166.988 -156.229 -226.886 162.661 -190.551 -6.94963 -300.423 PRESSAVG: 11600 6.55068 -86.5158 -23.1862 -86.5158 15.8008 -10.4028 -23.1863 -10.4028 -15.8502 GPRESSAVG: 11600 6.33687 -89.4715 -23.446 -86.1199 15.0334 -10.2548 -25.1288 -10.7666 -15.5073 TIMING: 11600 CPU: 36.4215, 0.00312134/step Wall: 36.4215, 0.00312134/step, 4.32514 hours remaining, 225.296875 MB of memory in use. ENERGY: 11600 4043.1168 20621.4997 14499.8449 245.9745 -203114.3330 2329.8474 0.0000 0.0000 51840.1816 -109533.8681 297.9262 -161374.0497 -109175.7660 298.9509 -296.7568 -265.6279 760969.7058 2.1671 1.9543 PRESSURE: 11800 -76.4708 59.0144 -38.2575 59.0141 -16.2558 17.9825 -38.2571 17.9827 250.596 GPRESSURE: 11800 4.1625 38.4489 -39.6347 125.744 91.4214 -30.3904 97.9096 98.6299 149.238 PRESSAVG: 11800 -1.51539 -84.8462 -2.41828 -84.8462 -18.9392 -16.3542 -2.41824 -16.3542 6.36176 GPRESSAVG: 11800 -2.24765 -82.155 -2.1157 -83.6669 -17.5919 -16.7364 -1.94947 -15.6994 5.96687 TIMING: 11800 CPU: 37.0463, 0.00312406/step Wall: 37.0463, 0.00312406/step, 4.32874 hours remaining, 225.296875 MB of memory in use. ENERGY: 11800 4019.8345 20483.8925 14397.8028 226.4563 -202964.3701 2355.8898 0.0000 0.0000 51886.6206 -109593.8735 298.1931 -161480.4942 -109226.5189 299.0315 52.6233 81.6072 760407.0691 -4.6976 -4.6242 PRESSURE: 12000 -112.606 -5.57388 12.8018 -5.5738 35.6626 -192.058 12.8015 -192.058 -101.207 GPRESSURE: 12000 -48.2093 36.0865 -33.3249 -2.27096 75.6225 -208.214 48.2629 -117.904 -123.972 PRESSAVG: 12000 8.86251 -24.2871 71.7711 -24.2871 -20.7325 -9.4665 71.7711 -9.46652 1.5515 GPRESSAVG: 12000 10.5579 -25.4534 72.8821 -24.861 -22.9194 -9.53205 71.6565 -7.82609 2.00861 TIMING: 12000 CPU: 37.6747, 0.00314191/step Wall: 37.6747, 0.00314191/step, 4.35329 hours remaining, 225.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 12000 3918.8244 20710.7370 14379.6181 242.7242 -203205.2275 2551.7019 0.0000 0.0000 51782.7482 -109618.8737 297.5962 -161401.6218 -109270.4168 298.9008 -59.3834 -32.1861 760319.1923 -3.4395 -3.4510 PRESSURE: 12200 70.3714 59.4987 48.4719 59.4994 33.9152 56.6007 48.4716 56.6009 27.1375 GPRESSURE: 12200 66.6036 26.8364 29.167 -32.6902 66.4945 48.5034 69.4093 40.3415 82.7495 PRESSAVG: 12200 14.0369 -21.5833 21.8462 -21.5833 -0.441038 1.54862 21.8463 1.54867 -7.10862 GPRESSAVG: 12200 13.2885 -23.1963 21.5378 -20.732 0.22481 1.54085 22.8856 0.513712 -6.37267 TIMING: 12200 CPU: 38.3024, 0.00313855/step Wall: 38.3024, 0.00313855/step, 4.34846 hours remaining, 225.296875 MB of memory in use. ENERGY: 12200 4047.2461 20651.6180 14414.2893 232.8911 -203602.4374 2501.4531 0.0000 0.0000 52132.3779 -109622.5618 299.6055 -161754.9397 -109268.8735 299.2805 43.8081 71.9492 759180.6845 2.1624 2.3802 LDB: ============= START OF LOAD BALANCING ============== 50.698 LDB: ============== END OF LOAD BALANCING =============== 50.6981 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.6998 LDB: ============= START OF LOAD BALANCING ============== 51.0121 LDB: Largest compute 7044 load 0.033251 is 17.1% of average load 0.194803 LDB: Average compute 0.004375 is 2.2% of average load 0.194803 LDB: TIME 51.0154 LOAD: AVG 0.194803 MAX 0.212306 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.867 MB LDB: TIME 51.0158 LOAD: AVG 0.194803 MAX 0.212306 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.867 MB LDB: TIME 51.0159 LOAD: AVG 0.194803 MAX 0.212306 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 51.0178 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.0226 PRESSURE: 12400 -329.237 -105.126 -158.417 -105.125 -48.1401 34.0372 -158.419 34.0379 -322.69 GPRESSURE: 12400 -280.653 -94.7775 -142.533 13.5239 -23.4325 -21.2248 -165.091 12.8049 -313.533 PRESSAVG: 12400 14.7451 -73.4878 40.8558 -73.4878 -4.23693 -1.83293 40.8558 -1.83296 -11.3859 GPRESSAVG: 12400 14.3974 -72.1471 43.7425 -74.3753 -3.1682 -1.62449 36.9933 -2.98302 -11.5947 TIMING: 12400 CPU: 38.9402, 0.00318904/step Wall: 38.9402, 0.00318904/step, 4.41824 hours remaining, 224.593750 MB of memory in use. ENERGY: 12400 3929.4054 20397.6076 14375.2875 254.5904 -202989.4840 2270.4039 0.0000 0.0000 52134.8898 -109627.2995 299.6199 -161762.1892 -109261.9533 299.3997 -233.3558 -205.8729 760665.3738 -0.2926 -0.1219 PRESSURE: 12600 -386.992 42.8133 102.034 42.8131 -163.946 105.332 102.035 105.333 439.039 GPRESSURE: 12600 -304.242 78.0161 85.6686 38.5722 -176.916 -13.7356 40.4409 -2.16415 470.53 PRESSAVG: 12600 -14.2188 -34.957 17.4556 -34.9569 27.0882 12.4543 17.4556 12.4542 33.9085 GPRESSAVG: 12600 -14.4094 -35.3114 13.0359 -36.6946 26.5898 12.7458 20.4108 12.2045 33.7703 TIMING: 12600 CPU: 39.5671, 0.00313467/step Wall: 39.5671, 0.00313467/step, 4.34274 hours remaining, 224.660156 MB of memory in use. ENERGY: 12600 3980.7788 20532.3580 14517.2206 232.9652 -202963.2133 2266.6031 0.0000 0.0000 52056.0258 -109377.2617 299.1667 -161433.2875 -109005.5238 299.6558 -37.2997 -3.5428 760554.5514 15.5926 15.3169 PRESSURE: 12800 -178.723 129.089 -161.211 129.089 -238.027 29.9372 -161.21 29.9377 -215.745 GPRESSURE: 12800 -76.6846 115.079 -266.871 198.437 -201.643 68.7739 -88.1507 -64.7258 -258.649 PRESSAVG: 12800 19.9604 -10.3772 13.1108 -10.3771 4.29814 12.8226 13.1109 12.8226 -4.87777 GPRESSAVG: 12800 19.4502 -11.1785 14.3278 -7.11534 5.18669 14.5153 10.4674 10.3445 -5.28459 TIMING: 12800 CPU: 40.1954, 0.00314124/step Wall: 40.1954, 0.00314124/step, 4.35166 hours remaining, 224.660156 MB of memory in use. ENERGY: 12800 3987.7079 20745.8765 14383.6716 244.1752 -202782.9335 1912.9419 0.0000 0.0000 52180.6209 -109327.9396 299.8827 -161508.5605 -108964.0506 299.4372 -210.8315 -178.9921 759650.8589 6.4603 6.4508 PRESSURE: 13000 20.0192 191.862 -3.62963 191.862 -69.2165 23.7994 -3.62966 23.7983 16.4068 GPRESSURE: 13000 81.1517 125.365 5.76331 183.454 -17.7187 -28.4932 -29.2433 -20.1664 -18.467 PRESSAVG: 13000 -42.2912 -5.59003 -15.4603 -5.59009 18.3727 -30.8719 -15.4603 -30.8719 -7.64103 GPRESSAVG: 13000 -41.6284 -4.08136 -15.4463 -6.64582 18.3015 -33.1258 -13.1215 -29.9252 -8.33817 TIMING: 13000 CPU: 40.8226, 0.00313618/step Wall: 40.8226, 0.00313618/step, 4.34448 hours remaining, 224.660156 MB of memory in use. ENERGY: 13000 4041.1031 20634.8097 14461.6889 233.9904 -203543.0729 2782.3427 0.0000 0.0000 51986.6905 -109402.4475 298.7682 -161389.1380 -109046.5840 299.4132 -10.9302 14.9887 760067.1462 -10.5198 -10.5550 PRESSURE: 13200 200.803 349.822 -21.9483 349.822 124.529 -14.1947 -21.9487 -14.1946 115.762 GPRESSURE: 13200 229.438 209.917 -52.2837 162.428 211.675 -2.20785 46.9834 -152.468 79.7922 PRESSAVG: 13200 28.9468 8.50708 61.0494 8.50702 3.96725 4.28907 61.0494 4.28902 -15.6734 GPRESSAVG: 13200 29.3691 7.43992 59.93 7.9759 3.60974 4.34869 62.2704 6.17219 -15.6632 TIMING: 13200 CPU: 41.4465, 0.0031195/step Wall: 41.4465, 0.0031195/step, 4.3212 hours remaining, 224.660156 MB of memory in use. ENERGY: 13200 3919.3902 20579.7224 14446.7087 245.4658 -203702.4048 2786.2410 0.0000 0.0000 52239.7150 -109485.1617 300.2224 -161724.8768 -109114.1941 299.5890 147.0312 173.6350 760598.7742 5.7469 5.7719 PRESSURE: 13400 -174.722 -144.057 -4.87655 -144.058 16.0434 -23.7712 -4.87649 -23.7721 63.5709 GPRESSURE: 13400 -102.074 -102.012 -66.235 -41.5582 22.4737 -83.9579 -34.7967 -27.6593 58.6946 PRESSAVG: 13400 16.6182 -105.338 2.66259 -105.338 -22.6314 -25.1066 2.66262 -25.1067 -7.15838 GPRESSAVG: 13400 16.7135 -105.352 0.919089 -105.556 -25.1748 -24.2301 3.59539 -26.323 -5.06502 TIMING: 13400 CPU: 42.0712, 0.00312372/step Wall: 42.0712, 0.00312372/step, 4.32687 hours remaining, 224.660156 MB of memory in use. ENERGY: 13400 3992.5149 20607.8151 14417.0113 247.1955 -203336.0662 2522.1311 0.0000 0.0000 51908.7036 -109640.6946 298.3200 -161549.3982 -109284.5534 298.9798 -31.7025 -6.9687 760980.1642 -4.3905 -4.5088 PRESSURE: 13600 -81.5319 -122.073 60.3498 -122.073 66.664 173.236 60.3504 173.237 -19.2193 GPRESSURE: 13600 -67.5557 -87.6027 28.2085 -177.805 93 169.315 97.0831 85.151 29.4072 PRESSAVG: 13600 1.45557 -68.4796 8.31845 -68.4797 -9.99924 -36.4613 8.31848 -36.4613 29.9282 GPRESSAVG: 13600 1.74436 -66.5886 10.2734 -69.345 -7.84129 -38.6275 8.3165 -33.9786 27.3802 TIMING: 13600 CPU: 42.6954, 0.00312087/step Wall: 42.6954, 0.00312087/step, 4.32275 hours remaining, 224.660156 MB of memory in use. ENERGY: 13600 4030.3173 20483.6221 14487.1619 242.6480 -203449.3909 2544.5274 0.0000 0.0000 52099.0669 -109562.0473 299.4141 -161661.1142 -109195.8262 298.6571 -11.3624 18.2838 760663.7188 7.1282 7.0944 PRESSURE: 13800 -145.986 -161.752 -410.904 -161.752 54.3643 -168.877 -410.903 -168.877 -6.40248 GPRESSURE: 13800 -96.8718 -139.45 -392.293 -234.14 114.358 -182.106 -300.194 -66.3923 -41.055 PRESSAVG: 13800 3.09178 -47.9825 23.4086 -47.9824 33.7286 -15.4296 23.4087 -15.4296 0.670177 GPRESSAVG: 13800 1.16986 -48.72 23.0518 -47.5716 32.6662 -14.7191 21.5049 -16.3338 3.9442 TIMING: 13800 CPU: 43.3177, 0.00311139/step Wall: 43.3177, 0.00311139/step, 4.30945 hours remaining, 224.660156 MB of memory in use. ENERGY: 13800 3964.8936 20461.1620 14439.8244 243.7926 -203197.3134 2539.2492 0.0000 0.0000 51727.6423 -109820.7493 297.2795 -161548.3916 -109457.4074 299.0499 -32.6747 -7.8564 761320.4429 12.4969 12.5934 PRESSURE: 14000 -8.37367 13.6486 149.465 13.6477 382.571 -78.4106 149.465 -78.4109 120.778 GPRESSURE: 14000 93.7479 61.3883 53.7598 40.1163 399.7 -47.1848 196.255 -54.6543 83.5656 PRESSAVG: 14000 3.96273 -54.3206 2.02974 -54.3206 -24.6082 36.2568 2.02972 36.2568 26.2395 GPRESSAVG: 14000 4.53142 -53.537 3.37108 -54.4026 -23.6348 39.8044 2.38092 35.2036 23.9381 TIMING: 14000 CPU: 43.9407, 0.00311511/step Wall: 43.9407, 0.00311511/step, 4.31442 hours remaining, 224.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 14000 3947.1787 20491.5986 14535.8220 256.0462 -203621.9290 2812.4203 0.0000 0.0000 51920.2433 -109658.6199 298.3864 -161578.8632 -109297.6713 298.6877 164.9918 192.3377 761873.7512 1.8647 1.6116 PRESSURE: 14200 264.393 76.7298 201.1 76.7302 -236.563 83.124 201.1 83.1245 -271.459 GPRESSURE: 14200 318.948 -103.595 150.502 67.8708 -175.657 128.835 157.826 17.9988 -303.329 PRESSAVG: 14200 -27.4976 -26.4958 48.9585 -26.4959 -14.0911 50.5888 48.9585 50.5888 22.7011 GPRESSAVG: 14200 -29.0547 -27.1097 46.6467 -26.8078 -12.0264 47.0294 46.7605 51.3898 22.2254 TIMING: 14200 CPU: 44.5635, 0.00311389/step Wall: 44.5635, 0.00311389/step, 4.31257 hours remaining, 224.660156 MB of memory in use. ENERGY: 14200 4016.1569 20630.4625 14487.2058 255.9290 -203421.1747 2187.8955 0.0000 0.0000 52192.1955 -109651.3295 299.9493 -161843.5250 -109302.7027 299.4212 -81.2098 -53.3459 761636.7687 -6.2958 -6.2852 PRESSURE: 14400 -6.38776 -102.81 -76.8848 -102.811 51.3862 161.496 -76.8854 161.495 -190.023 GPRESSURE: 14400 -5.99898 -123.102 -124.353 -7.7764 94.8809 125.578 -161.287 196.293 -143.191 PRESSAVG: 14400 38.8497 -27.9775 2.82914 -27.9775 -21.3423 -4.72644 2.82904 -4.7265 24.4753 GPRESSAVG: 14400 40.1093 -27.6577 4.26937 -28.3516 -23.2066 -5.20391 4.15016 -4.58882 25.2129 TIMING: 14400 CPU: 45.1893, 0.00312929/step Wall: 45.1893, 0.00312929/step, 4.33372 hours remaining, 224.660156 MB of memory in use. ENERGY: 14400 3978.3533 20551.7183 14454.2463 245.9538 -203815.6985 2746.2102 0.0000 0.0000 52207.1951 -109632.0216 300.0355 -161839.2167 -109267.3627 299.6084 -48.3415 -18.1031 760256.9222 13.9942 14.0386 PRESSURE: 14600 -101.982 -89.966 -76.5523 -89.9656 -362.391 -104.981 -76.5532 -104.98 31.9771 GPRESSURE: 14600 -72.5356 -53.4913 -142.349 -76.8151 -309.544 -203.041 60.5984 -113.88 22.9737 PRESSAVG: 14600 -39.4725 -18.6374 6.37935 -18.6373 7.16739 -25.7899 6.37935 -25.7899 2.7185 GPRESSAVG: 14600 -38.2888 -20.3894 4.85013 -16.0688 7.29783 -24.959 7.34474 -25.3657 1.55407 TIMING: 14600 CPU: 45.8136, 0.00312129/step Wall: 45.8136, 0.00312129/step, 4.32247 hours remaining, 224.660156 MB of memory in use. ENERGY: 14600 3985.3828 20584.2438 14455.9632 259.2411 -203554.5486 2658.9127 0.0000 0.0000 52071.8940 -109538.9109 299.2579 -161610.8049 -109183.6870 299.5834 -144.1320 -119.7018 761267.6137 -9.8622 -9.8123 PRESSURE: 14800 130.238 87.7962 41.5772 87.7965 -64.3266 115.722 41.5777 115.723 -60.7102 GPRESSURE: 14800 134.731 196.994 -11.9611 65.6121 12.4969 65.9458 -69.9612 56.2812 -56.9238 PRESSAVG: 14800 23.7858 1.45915 6.33236 1.45919 -54.1638 -0.0225445 6.33244 -0.0224903 7.08513 GPRESSAVG: 14800 23.0921 5.06062 7.72917 -2.78476 -52.7359 0.868436 5.68071 -0.627355 6.61755 TIMING: 14800 CPU: 46.4365, 0.00311459/step Wall: 46.4365, 0.00311459/step, 4.31301 hours remaining, 224.660156 MB of memory in use. ENERGY: 14800 3988.3865 20630.3822 14415.7107 273.4683 -203930.0753 2921.4378 0.0000 0.0000 51968.0187 -109732.6710 298.6609 -161700.6897 -109377.6238 299.0045 1.7337 30.1014 761615.0621 -7.7643 -7.6754 PRESSURE: 15000 76.1419 -189.343 76.4551 -189.343 160.401 -173.818 76.4553 -173.817 15.715 GPRESSURE: 15000 158.454 -174.805 68.7584 -247.13 100.741 -198.38 116.768 -79.1981 85.7943 PRESSAVG: 15000 61.5106 -6.12696 -59.8128 -6.12696 -55.3797 17.5845 -59.8128 17.5844 12.2598 GPRESSAVG: 15000 62.3177 -9.0905 -60.4306 -2.80317 -57.1423 18.8202 -60.6787 16.4546 13.6547 TIMING: 15000 CPU: 47.0617, 0.00312597/step Wall: 47.0617, 0.00312597/step, 4.3286 hours remaining, 224.660156 MB of memory in use. ENERGY: 15000 3990.9143 20575.7877 14481.7691 252.3877 -203167.1283 2387.3350 0.0000 0.0000 51839.6639 -109639.2706 297.9233 -161478.9346 -109273.8080 298.9727 84.0859 114.9962 760744.8270 6.1302 6.2767 PRESSURE: 15200 -255.036 -142.63 115.378 -142.63 -93.7152 259.615 115.378 259.615 550.244 GPRESSURE: 15200 -196.478 -77.2951 57.9768 -58.6119 -65.4062 273.13 122.255 258.948 530.763 PRESSAVG: 15200 12.2537 -21.8457 -24.4129 -21.8457 -12.956 15.6111 -24.4129 15.611 15.5829 GPRESSAVG: 15200 11.1028 -20.416 -25.201 -24.6583 -12.052 14.1716 -22.3769 16.8814 15.7131 TIMING: 15200 CPU: 47.6863, 0.00312315/step Wall: 47.6863, 0.00312315/step, 4.32452 hours remaining, 224.660156 MB of memory in use. ENERGY: 15200 3933.2437 20555.2655 14475.9137 245.0426 -203229.5096 2419.4324 0.0000 0.0000 52017.3358 -109583.2758 298.9443 -161600.6117 -109225.0580 299.0573 67.1644 89.6260 759446.0123 4.9602 4.9213 PRESSURE: 15400 -245.267 63.7976 41.6786 63.7974 -325.578 51.0249 41.6775 51.0243 80.4363 GPRESSURE: 15400 -174.326 32.6697 17.6011 52.3357 -352.747 -62.0746 97.3158 13.4057 110.166 PRESSAVG: 15400 -33.5191 -10.25 95.9606 -10.25 4.33535 24.8659 95.9606 24.8658 -6.71331 GPRESSAVG: 15400 -32.462 -9.67121 97.2104 -10.4532 3.11077 25.9802 94.5866 24.2243 -6.74814 TIMING: 15400 CPU: 48.3127, 0.00313199/step Wall: 48.3127, 0.00313199/step, 4.33659 hours remaining, 224.660156 MB of memory in use. ENERGY: 15400 4022.3731 20435.8386 14475.1377 240.7599 -203571.4386 2552.5389 0.0000 0.0000 52204.0791 -109640.7113 300.0176 -161844.7904 -109275.1720 298.9949 -163.4693 -138.9690 760312.8558 -11.9657 -12.0331 PRESSURE: 15600 48.5858 -118.529 254.499 -118.528 265.453 -50.6215 254.5 -50.6209 -238.433 GPRESSURE: 15600 89.8607 -64.5829 350.875 -247.484 293.66 -28.9625 117.318 -61.558 -203.442 PRESSAVG: 15600 3.72513 -33.3959 15.263 -33.3958 -15.3993 -1.82116 15.2631 -1.82111 10.1831 GPRESSAVG: 15600 2.53426 -34.8871 15.4098 -31.5412 -14.4169 -2.32232 15.0601 -1.81553 10.3291 TIMING: 15600 CPU: 48.9403, 0.00313791/step Wall: 48.9403, 0.00313791/step, 4.34461 hours remaining, 224.660156 MB of memory in use. ENERGY: 15600 4026.0662 20471.2837 14433.5376 232.2670 -203434.0457 2533.8006 0.0000 0.0000 51994.4480 -109742.6424 298.8128 -161737.0905 -109383.2123 299.2974 25.2016 60.0260 760055.4071 -0.4970 -0.5179 PRESSURE: 15800 -115.932 9.49647 -37.3262 9.49616 177.653 -35.8528 -37.3266 -35.854 -1.18103 GPRESSURE: 15800 -113.433 7.35215 4.4431 85.5554 226.62 33.2833 -192.529 -87.2888 52.5102 PRESSAVG: 15800 -24.5053 -58.2421 -9.44145 -58.2421 2.75036 26.9554 -9.4414 26.9554 -5.94835 GPRESSAVG: 15800 -24.5021 -56.6097 -8.95206 -57.9669 3.78275 27.6225 -9.99073 25.0357 -6.95487 TIMING: 15800 CPU: 49.5654, 0.00312511/step Wall: 49.5654, 0.00312511/step, 4.32672 hours remaining, 224.660156 MB of memory in use. ENERGY: 15800 4031.1573 20546.3311 14409.4544 255.7825 -203582.0704 2622.5357 0.0000 0.0000 51853.8470 -109862.9623 298.0048 -161716.8093 -109504.1974 298.6418 20.1801 55.2323 759939.8149 -9.2344 -9.2247 PRESSURE: 16000 -63.6187 11.6558 31.0964 11.6558 191.15 185.122 31.0972 185.121 79.3844 GPRESSURE: 16000 56.4182 -35.8507 73.2756 6.20841 107.255 125.261 29.7194 164.637 142.303 PRESSAVG: 16000 25.3445 -50.581 -0.318397 -50.581 4.78171 49.7889 -0.318344 49.789 -5.12201 GPRESSAVG: 16000 26.1737 -51.8174 -1.31547 -51.2078 3.22228 49.3291 0.28499 50.9745 -4.50081 TIMING: 16000 CPU: 50.1899, 0.0031229/step Wall: 50.1899, 0.0031229/step, 4.32348 hours remaining, 224.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 16000 3964.2926 20524.2258 14372.9281 260.8914 -204200.9858 2901.1780 0.0000 0.0000 52384.5985 -109792.8714 301.0550 -162177.4699 -109428.3339 298.8250 68.9718 101.9921 759184.3523 8.3347 8.2984 PRESSURE: 16200 143.08 130.824 -98.6977 130.824 -425.868 41.1796 -98.6975 41.1792 29.2026 GPRESSURE: 16200 118.76 130.333 -41.436 156.189 -202.602 -77.4366 -212.955 22.132 -65.8512 PRESSAVG: 16200 -5.38587 -43.9136 18.6178 -43.9136 -29.4813 60.9549 18.6177 60.9549 -3.43311 GPRESSAVG: 16200 -6.4212 -42.965 20.0395 -43.986 -28.4187 61.5492 19.3612 61.186 -3.89511 TIMING: 16200 CPU: 50.8149, 0.00312496/step Wall: 50.8149, 0.00312496/step, 4.32616 hours remaining, 224.660156 MB of memory in use. ENERGY: 16200 4044.3198 20634.9744 14436.2196 261.4336 -203501.1678 2392.6943 0.0000 0.0000 52043.5708 -109687.9554 299.0951 -161731.5262 -109336.6522 299.1499 -84.5284 -49.8977 758948.1586 -12.7668 -12.9117 LDB: ============= START OF LOAD BALANCING ============== 63.2112 LDB: ============== END OF LOAD BALANCING =============== 63.2114 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.213 LDB: ============= START OF LOAD BALANCING ============== 63.5263 LDB: Largest compute 7067 load 0.031569 is 16.2% of average load 0.194815 LDB: Average compute 0.004367 is 2.2% of average load 0.194815 LDB: TIME 63.5297 LOAD: AVG 0.194815 MAX 0.211671 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.449 MB LDB: TIME 63.5301 LOAD: AVG 0.194815 MAX 0.211671 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.449 MB LDB: TIME 63.5302 LOAD: AVG 0.194815 MAX 0.211671 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 63.5322 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.5371 PRESSURE: 16400 264.593 -20.0949 -14.8684 -20.0953 -44.0612 91.3721 -14.8678 91.3725 44.6238 GPRESSURE: 16400 284.886 -0.311741 67.4689 -133.134 -0.719833 193.929 34.4125 84.2211 62.7649 PRESSAVG: 16400 14.3613 -76.1325 36.0939 -76.1325 -34.6593 0.458957 36.0939 0.45901 3.93742 GPRESSAVG: 16400 14.7716 -76.734 36.1815 -76.2189 -35.6299 0.662377 35.9488 -1.39902 4.49183 TIMING: 16400 CPU: 51.4544, 0.00319725/step Wall: 51.4544, 0.00319725/step, 4.42605 hours remaining, 223.406250 MB of memory in use. ENERGY: 16400 3921.7410 20531.7392 14449.2680 239.0256 -203568.2334 2825.1681 0.0000 0.0000 51975.5461 -109625.7454 298.7042 -161601.2915 -109266.6040 299.1216 88.3853 115.6436 759905.9330 -5.4535 -5.4555 PRESSURE: 16600 93.9375 -110.023 51.2462 -110.022 -42.316 11.099 51.2458 11.0997 116.896 GPRESSURE: 16600 141.813 -63.3325 132.154 6.87914 -56.399 118.151 25.0673 -1.18692 173.349 PRESSAVG: 16600 36.6378 -66.2519 94.6125 -66.252 -39.5426 -15.2908 94.6125 -15.2908 19.489 GPRESSAVG: 16600 37.424 -64.932 93.8733 -66.27 -40.1876 -15.0822 95.5962 -12.6407 19.2171 TIMING: 16600 CPU: 52.0822, 0.00313934/step Wall: 52.0822, 0.00313934/step, 4.34571 hours remaining, 223.609375 MB of memory in use. ENERGY: 16600 3965.7975 20653.6971 14423.9358 252.8794 -202859.1649 2288.4782 0.0000 0.0000 51743.6014 -109530.7756 297.3712 -161274.3769 -109180.6841 299.3933 56.1723 86.2543 760968.0864 5.5281 5.4845 PRESSURE: 16800 -12.6624 27.1172 56.289 27.117 173.825 -57.5482 56.2889 -57.548 -315.5 GPRESSURE: 16800 19.4031 57.7148 195.72 84.8807 213.946 -23.3005 -45.9887 -166.276 -309.915 PRESSAVG: 16800 27.9413 -6.79381 -2.10169 -6.7938 -24.559 0.714621 -2.10166 0.714705 -16.5203 GPRESSAVG: 16800 25.3707 -8.04686 -1.84968 -6.39193 -23.5552 -1.03326 -3.0685 -0.545205 -15.458 TIMING: 16800 CPU: 52.708, 0.00312858/step Wall: 52.708, 0.00312858/step, 4.33064 hours remaining, 223.609375 MB of memory in use. ENERGY: 16800 3965.0445 20650.7157 14444.2356 244.6763 -203356.3941 2710.6008 0.0000 0.0000 52045.8495 -109295.2718 299.1082 -161341.1213 -108936.0468 299.7999 -51.4458 -25.5220 761816.9903 -4.3793 -4.5475 PRESSURE: 17000 19.5652 -251.092 36.3807 -251.092 -293.765 -116.516 36.38 -116.516 88.3999 GPRESSURE: 17000 96.9648 -98.1964 126.79 -290.374 -266.91 -113.602 -44.9624 -92.5338 55.6334 PRESSAVG: 17000 -8.8999 -18.4352 45.7693 -18.4352 -42.5373 3.00868 45.7693 3.0086 22.3806 GPRESSAVG: 17000 -8.18413 -17.6902 43.6246 -17.9831 -43.7012 3.1939 46.1807 3.62689 22.7884 TIMING: 17000 CPU: 53.3341, 0.00313063/step Wall: 53.3341, 0.00313063/step, 4.33331 hours remaining, 223.609375 MB of memory in use. ENERGY: 17000 3932.7860 20572.9816 14523.1587 260.0700 -202934.9059 2329.4761 0.0000 0.0000 52161.6659 -109154.7676 299.7738 -161316.4335 -108786.1752 299.4348 -61.9333 -38.1040 761744.2485 -9.6855 -9.6990 PRESSURE: 17200 376.528 -37.791 88.8217 -37.7909 129.805 -256.025 88.8226 -256.024 173.899 GPRESSURE: 17200 306.968 -108.203 134.455 -4.32724 263.823 -286.822 8.84053 -174.181 192.598 PRESSAVG: 17200 2.08597 -27.1947 10.0839 -27.1948 1.79152 29.4307 10.0839 29.4307 13.2014 GPRESSAVG: 17200 2.8892 -26.7977 10.5659 -25.3938 1.99341 28.1542 7.32718 29.655 12.287 TIMING: 17200 CPU: 53.9641, 0.0031502/step Wall: 53.9641, 0.0031502/step, 4.36023 hours remaining, 223.609375 MB of memory in use. ENERGY: 17200 4006.8852 20547.8952 14423.9330 268.0620 -203718.9479 2931.5486 0.0000 0.0000 52134.6688 -109405.9551 299.6187 -161540.6240 -109041.6603 299.8971 226.7441 254.4627 759577.3706 5.6930 5.7232 PRESSURE: 17400 63.7983 30.9409 58.6229 30.9409 -97.4819 -29.5441 58.6233 -29.5431 468.797 GPRESSURE: 17400 77.8358 -109.93 84.3028 0.362102 38.4661 -45.1016 -29.6255 -97.8119 417.212 PRESSAVG: 17400 26.3432 -12.8907 2.38713 -12.8907 -39.2488 -19.7621 2.38705 -19.7621 -5.1021 GPRESSAVG: 17400 25.5996 -12.7981 3.50885 -15.567 -38.6098 -17.4161 2.14973 -20.5357 -4.72699 TIMING: 17400 CPU: 54.5921, 0.00313994/step Wall: 54.5921, 0.00313994/step, 4.34585 hours remaining, 223.609375 MB of memory in use. ENERGY: 17400 4021.4121 20502.4977 14474.8170 252.3081 -203507.7659 2716.3722 0.0000 0.0000 52002.5126 -109537.8462 298.8592 -161540.3588 -109177.6700 299.3417 145.0380 177.8381 759322.9162 -6.0026 -5.9124 PRESSURE: 17600 -37.4458 64.6019 101.275 64.6017 -163.687 5.42996 101.274 5.42938 -291.15 GPRESSURE: 17600 -29.7727 3.3976 45.5487 16.1196 -113.614 32.2518 160.499 17.8158 -262.719 PRESSAVG: 17600 -19.0105 -23.8595 33.4297 -23.8595 47.9383 -3.82162 33.4297 -3.82164 -11.1563 GPRESSAVG: 17600 -18.1767 -25.3897 31.0341 -20.7104 47.4243 -5.42724 34.5202 -2.95071 -12.1142 TIMING: 17600 CPU: 55.2179, 0.00312883/step Wall: 55.2179, 0.00312883/step, 4.33031 hours remaining, 223.609375 MB of memory in use. ENERGY: 17600 3978.6908 20576.5913 14476.0066 240.8549 -203129.3667 2298.5649 0.0000 0.0000 51954.9188 -109603.7395 298.5856 -161558.6583 -109249.1098 298.9968 -164.0944 -135.3685 761284.8644 5.9238 5.7112 PRESSURE: 17800 -252.331 59.4572 -178.563 59.457 -82.7977 114.784 -178.563 114.784 -56.2902 GPRESSURE: 17800 -200.34 23.2948 -158.063 4.9625 56.1993 173.852 -233.109 28.5765 -143.938 PRESSAVG: 17800 -12.3253 -94.2738 18.1366 -94.2738 25.5703 22.2002 18.1366 22.2002 3.56836 GPRESSAVG: 17800 -11.6678 -94.5101 21.0747 -96.6099 25.8228 22.8155 17.5706 22.3003 2.69641 TIMING: 17800 CPU: 55.8442, 0.00313163/step Wall: 55.8442, 0.00313163/step, 4.33401 hours remaining, 223.609375 MB of memory in use. ENERGY: 17800 3960.2442 20357.4189 14495.8670 263.8683 -203359.0500 2257.3655 0.0000 0.0000 52429.6562 -109594.6300 301.3140 -162024.2862 -109239.8772 299.1979 -130.4730 -96.0263 759768.4580 5.6045 5.6172 PRESSURE: 18000 28.5606 -47.958 -34.3608 -47.9579 11.0988 53.072 -34.3614 53.072 153.954 GPRESSURE: 18000 107.791 -147.612 -23.2827 -8.01802 51.5502 1.25572 -174.82 202.093 120.057 PRESSAVG: 18000 2.45341 -51.184 -84.9592 -51.184 5.11405 22.5471 -84.9593 22.5471 -2.99432 GPRESSAVG: 18000 2.19335 -49.6346 -84.4522 -50.3297 4.21325 22.6448 -86.4785 24.1266 -2.62952 TIMING: 18000 CPU: 56.4703, 0.0031307/step Wall: 56.4703, 0.0031307/step, 4.33254 hours remaining, 223.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 18000 3934.4695 20551.7578 14464.3898 228.9345 -203454.6305 2535.5436 0.0000 0.0000 52151.6945 -109587.8406 299.7165 -161739.5352 -109226.4958 299.3924 64.5377 93.1328 759363.0474 1.5244 1.2590 PRESSURE: 18200 -87.2026 -432.793 143.181 -432.793 331.708 -93.7601 143.181 -93.7594 -115.92 GPRESSURE: 18200 -82.9318 -333.311 85.9289 -415.468 375.41 -86.992 179.931 -73.1115 -84.2775 PRESSAVG: 18200 11.3824 -44.7278 24.0102 -44.7278 46.5291 10.1409 24.0102 10.1409 14.2164 GPRESSAVG: 18200 11.0854 -44.4167 22.2981 -46.1528 46.8893 11.8135 26.7392 7.72718 13.9971 TIMING: 18200 CPU: 57.0921, 0.00310857/step Wall: 57.0921, 0.00310857/step, 4.30174 hours remaining, 223.609375 MB of memory in use. ENERGY: 18200 4073.0689 20517.9996 14470.3123 266.9875 -203268.2545 2388.6585 0.0000 0.0000 52120.0747 -109431.1529 299.5348 -161551.2276 -109063.8096 299.4015 42.8620 69.4003 759620.2207 24.0426 23.9906 PRESSURE: 18400 339.1 -105.631 39.2426 -105.632 109.468 0.338118 39.242 0.338491 24.0019 GPRESSURE: 18400 353.599 -178.386 23.7283 -22.7886 178.31 -18.754 157.11 14.6603 21.7672 PRESSAVG: 18400 6.58546 -50.295 40.3466 -50.2951 -8.08411 16.8468 40.3466 16.8468 1.13738 GPRESSAVG: 18400 5.53396 -51.918 38.934 -47.5428 -7.39263 16.7932 41.1305 16.1222 1.70633 TIMING: 18400 CPU: 57.7162, 0.00312078/step Wall: 57.7162, 0.00312078/step, 4.31846 hours remaining, 223.609375 MB of memory in use. ENERGY: 18400 4014.8078 20601.9667 14489.4182 244.0775 -203803.9464 2840.5070 0.0000 0.0000 52146.8923 -109466.2769 299.6889 -161613.1692 -109099.4778 299.7630 157.5232 184.5587 760345.2488 -0.1204 -0.0508 PRESSURE: 18600 -69.1762 -41.292 -74.4008 -41.292 423.588 -257.832 -74.401 -257.833 29.4246 GPRESSURE: 18600 -82.5346 -71.4251 -45.4393 -130.969 473.09 -219.18 -25.5951 -216.985 84.7269 PRESSAVG: 18600 18.3003 -30.8694 -12.8152 -30.8694 61.4483 -4.32533 -12.8152 -4.32535 20.5605 GPRESSAVG: 18600 18.7302 -30.047 -11.7301 -31.5976 61.0931 -5.46352 -13.3057 -3.12611 20.0212 TIMING: 18600 CPU: 58.3457, 0.00314751/step Wall: 58.3457, 0.00314751/step, 4.35529 hours remaining, 223.609375 MB of memory in use. ENERGY: 18600 4024.1770 20689.5925 14542.1427 251.8966 -203494.0029 2533.6980 0.0000 0.0000 51950.3814 -109502.1147 298.5596 -161452.4962 -109149.0438 299.3154 127.9455 158.4275 759913.8793 33.4364 33.2815 PRESSURE: 18800 -44.5539 -202.12 -111.94 -202.12 -264.398 170.668 -111.941 170.667 360.534 GPRESSURE: 18800 41.736 -178.411 -83.0729 -186.797 -211.263 158.841 -113.678 34.0303 299.167 PRESSAVG: 18800 -34.9314 -55.0954 2.70543 -55.0954 7.545 -26.2318 2.70541 -26.2318 3.98993 GPRESSAVG: 18800 -35.5076 -54.7755 3.27535 -56.002 7.92622 -25.7388 1.92589 -26.7997 4.64456 TIMING: 18800 CPU: 58.9708, 0.00312541/step Wall: 58.9708, 0.00312541/step, 4.32452 hours remaining, 223.609375 MB of memory in use. ENERGY: 18800 3979.3033 20626.3169 14454.5868 256.3251 -203274.1528 2451.8785 0.0000 0.0000 52028.3333 -109477.4090 299.0075 -161505.7423 -109123.3372 298.6526 17.1941 43.2133 759979.2412 -7.7988 -7.6456 PRESSURE: 19000 92.7732 -357.364 -16.189 -357.364 370.441 42.3435 -16.1895 42.3447 -349.439 GPRESSURE: 19000 143.641 -301.765 -14.0609 -341.373 375.868 74.8218 44.1242 -87.8282 -336.047 PRESSAVG: 19000 -56.5237 -50.4767 -32.4493 -50.4767 68.7039 23.5047 -32.4492 23.5047 -32.1717 GPRESSAVG: 19000 -55.5958 -50.7075 -32.1483 -50.3398 68.3057 23.6269 -34.2975 24.699 -33.1318 TIMING: 19000 CPU: 59.5963, 0.0031275/step Wall: 59.5963, 0.0031275/step, 4.32724 hours remaining, 223.609375 MB of memory in use. ENERGY: 19000 3993.9687 20644.1213 14543.9108 235.1943 -203232.1974 2488.0084 0.0000 0.0000 51863.8380 -109463.1559 298.0622 -161326.9939 -109102.7591 299.7345 37.9250 61.1540 760479.7073 -6.6638 -6.8073 PRESSURE: 19200 -31.5164 -56.3371 53.8549 -56.3376 -16.2983 -26.4555 53.8557 -26.4565 86.8468 GPRESSURE: 19200 10.584 -31.0789 34.4872 -159.45 -29.948 15.1845 176.547 -129.55 146.201 PRESSAVG: 19200 -18.4066 -56.4784 -40.8241 -56.4784 -7.0534 20.1587 -40.8241 20.1588 -7.88371 GPRESSAVG: 19200 -18.7137 -56.1103 -39.7101 -57.408 -7.55775 19.4335 -38.0811 19.471 -7.20667 TIMING: 19200 CPU: 60.2219, 0.00312814/step Wall: 60.2219, 0.00312814/step, 4.32796 hours remaining, 223.609375 MB of memory in use. ENERGY: 19200 3941.9767 20548.2800 14567.4831 235.8327 -203580.3832 2513.8612 0.0000 0.0000 52121.7263 -109651.2232 299.5443 -161772.9495 -109278.5611 299.2788 13.0107 42.2790 760024.5329 -11.1146 -11.1594 PRESSURE: 19400 -220.247 -96.8305 42.9161 -96.8307 194.634 -26.1953 42.9164 -26.1966 -8.08808 GPRESSURE: 19400 -191.352 -231.637 52.5773 -63.3616 232.786 27.537 75.7931 -8.67029 -3.86769 PRESSAVG: 19400 3.04654 -66.4333 -58.2822 -66.4333 16.6231 -0.162497 -58.2822 -0.162522 36.8143 GPRESSAVG: 19400 3.41557 -68.334 -58.9433 -65.6437 16.9171 -0.319386 -57.7208 -1.67327 36.1041 TIMING: 19400 CPU: 60.8456, 0.00311826/step Wall: 60.8456, 0.00311826/step, 4.31412 hours remaining, 223.609375 MB of memory in use. ENERGY: 19400 3994.1714 20562.1701 14473.2429 242.0256 -203403.8970 2511.8251 0.0000 0.0000 52032.6095 -109587.8524 299.0321 -161620.4620 -109227.1540 298.9582 -11.2337 12.5221 760090.3298 18.8280 18.8122 PRESSURE: 19600 242.287 106.191 118.791 106.191 184.001 37.0296 118.791 37.0296 -227.687 GPRESSURE: 19600 261.781 185.749 75.8196 142.762 237.441 -4.39341 154.856 19.672 -207.467 PRESSAVG: 19600 -15.0725 -55.8392 33.7164 -55.8393 29.3144 -19.9199 33.7165 -19.9198 21.4876 GPRESSAVG: 19600 -15.9339 -54.9871 33.6717 -53.7471 28.8508 -20.9476 33.957 -16.3122 22.3756 TIMING: 19600 CPU: 61.4697, 0.00312081/step Wall: 61.4697, 0.00312081/step, 4.31746 hours remaining, 223.609375 MB of memory in use. ENERGY: 19600 3993.9928 20591.9544 14491.0240 233.0647 -204114.9862 2810.0875 0.0000 0.0000 51949.6118 -110045.2510 298.5551 -161994.8627 -109674.1922 299.2029 66.2003 97.2517 759776.0407 11.9098 11.7641 PRESSURE: 19800 -82.9043 -60.3799 231.107 -60.379 45.416 -273.419 231.107 -273.42 138.75 GPRESSURE: 19800 -204.751 -13.0172 239.761 -131.2 39.0167 -277.513 217.156 -205.078 350.371 PRESSAVG: 19800 -4.27777 -46.7206 3.70342 -46.7207 15.0799 -13.0074 3.70345 -13.0075 3.35807 GPRESSAVG: 19800 -3.43983 -45.5536 3.50383 -48.4912 13.9308 -12.6796 3.13576 -14.4403 3.47431 TIMING: 19800 CPU: 62.0955, 0.00312876/step Wall: 62.0955, 0.00312876/step, 4.3283 hours remaining, 223.609375 MB of memory in use. ENERGY: 19800 3955.0748 20551.1426 14476.2605 252.3515 -203746.8274 2500.4288 0.0000 0.0000 51906.3022 -110105.2670 298.3062 -162011.5692 -109745.3354 298.4332 33.7539 61.5457 758471.4207 4.7201 4.6551 PRESSURE: 20000 -28.7608 -168.693 99.2773 -168.694 215.653 -168.681 99.2774 -168.68 260.508 GPRESSURE: 20000 -4.05123 -154.59 56.2711 -194.11 248.966 -115.01 114.03 -201.666 283.111 PRESSAVG: 20000 21.9849 -35.0176 -18.0379 -35.0175 11.0252 -19.0116 -18.0379 -19.0115 -14.2385 GPRESSAVG: 20000 21.8393 -33.8974 -18.2135 -36.5527 11.9868 -17.195 -18.7349 -19.6956 -15.1281 TIMING: 20000 CPU: 62.7226, 0.00313541/step Wall: 62.7226, 0.00313541/step, 4.33732 hours remaining, 223.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 20000 3866.9141 20363.0250 14499.6294 255.3639 -203466.5424 2394.6487 0.0000 0.0000 51879.9818 -110206.9795 298.1550 -162086.9613 -109840.6879 298.2956 149.1337 176.0087 760948.9024 6.2572 6.2327 PRESSURE: 20200 -206.64 -17.6927 -84.6292 -17.6934 -74.4004 -34.9245 -84.629 -34.9258 81.3882 GPRESSURE: 20200 -158.11 115.105 -87.957 -44.42 -30.9045 -2.04964 -9.01478 -30.3138 77.3277 PRESSAVG: 20200 -8.55941 -13.6917 39.7559 -13.6917 8.772 -3.2105 39.7559 -3.21052 -10.3533 GPRESSAVG: 20200 -9.18337 -16.2951 39.939 -11.5494 8.93305 -4.84631 40.2559 -0.574615 -9.9772 TIMING: 20200 CPU: 63.3523, 0.00314849/step Wall: 63.3523, 0.00314849/step, 4.35524 hours remaining, 223.609375 MB of memory in use. ENERGY: 20200 4002.1362 20423.8482 14467.9513 272.5378 -203438.4853 2394.1148 0.0000 0.0000 51785.6441 -110092.2529 297.6128 -161877.8970 -109733.7689 298.1498 -66.5508 -37.2290 758754.6509 -3.3802 -3.4092 LDB: ============= START OF LOAD BALANCING ============== 75.748 LDB: ============== END OF LOAD BALANCING =============== 75.7482 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.7499 LDB: ============= START OF LOAD BALANCING ============== 76.0651 LDB: Largest compute 7045 load 0.032350 is 16.6% of average load 0.194941 LDB: Average compute 0.004380 is 2.2% of average load 0.194941 LDB: TIME 76.0684 LOAD: AVG 0.194941 MAX 0.212587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.152 MB LDB: TIME 76.0688 LOAD: AVG 0.194941 MAX 0.212587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.156 MB LDB: TIME 76.0689 LOAD: AVG 0.194941 MAX 0.212587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 76.0708 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 76.0756 PRESSURE: 20400 37.6676 -193.967 114.974 -193.968 100.395 166.303 114.974 166.304 -57.2183 GPRESSURE: 20400 120.392 -158.532 32.9178 -64.8007 181.143 186.326 95.138 246.105 -119.216 PRESSAVG: 20400 0.0694618 2.88158 37.9138 2.88155 -13.3138 55.9986 37.9138 55.9986 -11.481 GPRESSAVG: 20400 -0.435445 4.58853 37.1096 2.84071 -13.7554 55.5183 39.5848 55.2117 -10.4048 TIMING: 20400 CPU: 63.993, 0.00320368/step Wall: 63.993, 0.00320368/step, 4.43141 hours remaining, 223.808594 MB of memory in use. ENERGY: 20400 4019.2745 20449.3652 14517.5250 245.3962 -203632.7663 2451.0338 0.0000 0.0000 51951.3869 -109998.7847 298.5653 -161950.1716 -109641.8181 298.0536 26.9480 60.7732 759508.5208 -8.2418 -8.1986 PRESSURE: 20600 -282.459 77.2042 140.935 77.2032 -282.086 -36.8647 140.935 -36.8653 -541.651 GPRESSURE: 20600 -230.632 117.889 150.527 -49.0158 -262.98 -84.7737 56.2173 -66.8545 -526.195 PRESSAVG: 20600 -13.305 26.6434 -4.41459 26.6435 44.7626 38.69 -4.41461 38.6901 -6.78976 GPRESSAVG: 20600 -12.4348 25.8393 -3.21797 25.8284 45.5793 39.7821 -7.69771 39.2181 -8.43396 TIMING: 20600 CPU: 64.6194, 0.00313213/step Wall: 64.6194, 0.00313213/step, 4.33226 hours remaining, 223.863281 MB of memory in use. ENERGY: 20600 4081.9073 20382.8694 14449.7985 250.0761 -204056.7705 2526.7291 0.0000 0.0000 52183.4593 -110181.9308 299.8991 -162365.3901 -109810.0061 298.5146 -368.7320 -339.9354 760169.4241 8.2226 8.2368 PRESSURE: 20800 281.611 148.044 -168.557 148.044 128.273 -167.646 -168.557 -167.646 558.27 GPRESSURE: 20800 322.2 62.3384 -101.307 142.117 167.568 -199.265 -82.4335 -51.6706 558.131 PRESSAVG: 20800 -15.7567 -1.06103 34.9933 -1.06095 38.6382 44.1062 34.9933 44.1062 11.3806 GPRESSAVG: 20800 -15.3791 -1.08253 34.9812 -1.62969 38.1738 44.6072 36.1396 43.2956 11.0137 TIMING: 20800 CPU: 65.2462, 0.00313372/step Wall: 65.2462, 0.00313372/step, 4.33429 hours remaining, 223.863281 MB of memory in use. ENERGY: 20800 4004.8548 20634.1035 14387.3983 236.8152 -204054.6366 2855.6455 0.0000 0.0000 51737.2447 -110198.5745 297.3347 -161935.8192 -109851.5574 298.3420 322.7182 349.2994 760311.3326 11.4207 11.2695 PRESSURE: 21000 -155.942 49.1307 15.6751 49.1307 140.311 108.088 15.6749 108.09 -4.12538 GPRESSURE: 21000 -43.2528 2.06635 79.4793 177.159 156.41 135.259 25.461 39.5627 -49.2424 PRESSAVG: 21000 47.0859 36.3845 32.1242 36.3845 17.3067 19.2048 32.1242 19.2048 -13.6037 GPRESSAVG: 21000 45.3537 34.5432 31.6821 37.3814 17.5775 17.8576 32.499 18.8563 -12.2896 TIMING: 21000 CPU: 65.8716, 0.0031271/step Wall: 65.8716, 0.0031271/step, 4.32496 hours remaining, 223.863281 MB of memory in use. ENERGY: 21000 3944.0585 20461.7705 14389.9087 253.5163 -203408.2791 2373.1098 0.0000 0.0000 51799.2571 -110186.6583 297.6910 -161985.9154 -109826.1195 298.2987 -6.5856 21.3049 760154.9247 16.9296 16.8805 PRESSURE: 21200 -10.1349 -269.387 0.531208 -269.386 -24.1163 19.6529 0.5308 19.6538 -227.928 GPRESSURE: 21200 50.7061 -280.376 45.9527 -208.344 -50.0648 71.2964 -72.6128 54.5838 -165.65 PRESSAVG: 21200 24.1871 -27.3127 -1.02695 -27.3127 -19.0928 -15.4115 -1.02698 -15.4115 -9.89515 GPRESSAVG: 21200 25.3345 -26.4419 -1.32943 -26.032 -19.5625 -14.6451 -1.08262 -15.3977 -10.5857 TIMING: 21200 CPU: 66.4977, 0.00313032/step Wall: 66.4977, 0.00313032/step, 4.32924 hours remaining, 223.863281 MB of memory in use. ENERGY: 21200 4027.1906 20436.1114 14451.0440 219.1386 -203378.6772 2252.7052 0.0000 0.0000 51860.8702 -110131.6171 298.0451 -161992.4874 -109762.5936 298.0038 -87.3930 -55.0028 760447.1659 -1.6003 -1.6046 PRESSURE: 21400 357.326 34.3333 -45.8728 34.3332 -162.493 -10.1388 -45.8738 -10.1407 364.033 GPRESSURE: 21400 322.897 50.2988 -85.1559 40.0946 -71.5473 -84.5417 -0.971023 27.2073 390.714 PRESSAVG: 21400 -30.2196 -38.724 6.17946 -38.7241 -24.8981 14.7607 6.17942 14.7607 13.6229 GPRESSAVG: 21400 -30.3292 -38.4679 6.01775 -40.7859 -24.4047 15.8313 5.99094 15.7368 13.8822 TIMING: 21400 CPU: 67.1255, 0.00313906/step Wall: 67.1255, 0.00313906/step, 4.34114 hours remaining, 223.863281 MB of memory in use. ENERGY: 21400 4047.1593 20493.8809 14429.1247 242.3549 -203842.7239 2904.3755 0.0000 0.0000 51664.1794 -110061.6492 296.9147 -161725.8287 -109698.4322 297.8088 186.2886 214.0212 759213.4554 -13.8316 -13.6172 PRESSURE: 21600 32.1029 -214.46 -250.539 -214.46 -256.048 -272.024 -250.539 -272.023 2.00531 GPRESSURE: 21600 70.818 -216.149 -228.573 -243.321 -113.555 -106.575 -124.145 -296.845 -83.494 PRESSAVG: 21600 17.3168 -6.90792 -22.8309 -6.90792 -15.938 9.03523 -22.8308 9.03536 15.4532 GPRESSAVG: 21600 18.2481 -5.29549 -24.2916 -7.04062 -17.1137 6.65069 -22.1815 8.64068 15.3033 TIMING: 21600 CPU: 67.7568, 0.00315638/step Wall: 67.7568, 0.00315638/step, 4.36493 hours remaining, 223.863281 MB of memory in use. ENERGY: 21600 4017.7501 20466.2530 14423.0396 253.5117 -203763.4132 2705.1281 0.0000 0.0000 51902.2802 -109995.4505 298.2831 -161897.7307 -109630.5146 298.2983 -73.9798 -42.0769 759479.9162 5.6107 5.4792 PRESSURE: 21800 -41.2966 128.573 -21.0031 128.573 24.7537 -266.853 -21.0028 -266.852 103.555 GPRESSURE: 21800 -80.7124 39.8827 -11.7561 125.318 147.716 -331.407 -28.4031 -53.952 110.258 PRESSAVG: 21800 5.52903 -39.8633 -28.9892 -39.8632 21.1347 35.9171 -28.9891 35.9171 9.30039 GPRESSAVG: 21800 4.00319 -40.1743 -25.9169 -39.4717 21.6034 38.7724 -30.1572 37.3379 10.6483 TIMING: 21800 CPU: 68.3848, 0.00314027/step Wall: 68.3848, 0.00314027/step, 4.34247 hours remaining, 224.066406 MB of memory in use. ENERGY: 21800 3948.1946 20599.5231 14435.5493 244.9791 -203578.4413 2427.8753 0.0000 0.0000 52149.8906 -109772.4292 299.7061 -161922.3198 -109413.1797 299.1167 29.0041 59.0873 757849.5185 11.9880 12.0850 PRESSURE: 22000 -453.709 -28.8672 -46.1966 -28.8672 83.9788 195.052 -46.1957 195.052 -262.667 GPRESSURE: 22000 -367.488 -8.72305 -12.0841 -44.1094 130.635 241.6 -53.74 171.758 -304.47 PRESSAVG: 22000 -9.62358 14.7125 -1.89769 14.7125 -24.2067 -6.621 -1.89771 -6.62102 -2.00177 GPRESSAVG: 22000 -8.80469 13.1371 -4.22895 15.9856 -23.6908 -9.57235 -0.521466 -6.62225 -2.98446 TIMING: 22000 CPU: 69.0144, 0.00314781/step Wall: 69.0144, 0.00314781/step, 4.35272 hours remaining, 224.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 22000 4080.1373 20636.3036 14466.5971 250.5600 -203204.0477 2257.6163 0.0000 0.0000 51821.8667 -109690.9668 297.8210 -161512.8335 -109334.5947 299.4973 -210.7991 -180.4408 759086.6080 -11.9440 -11.8266 PRESSURE: 22200 62.6015 -175.545 189.943 -175.545 -107.377 111.516 189.944 111.516 -210.926 GPRESSURE: 22200 87.2644 -145.834 23.3295 -156.679 2.74216 235.472 112.842 153.505 -269.883 PRESSAVG: 22200 78.6344 22.1677 -10.8949 22.1677 -38.1315 29.6323 -10.8948 29.6323 -4.93287 GPRESSAVG: 22200 77.56 23.159 -9.58876 22.6125 -37.1271 29.6131 -11.3994 31.3819 -5.03036 TIMING: 22200 CPU: 69.6437, 0.00314658/step Wall: 69.6437, 0.00314658/step, 4.35085 hours remaining, 224.066406 MB of memory in use. ENERGY: 22200 4023.9123 20625.8965 14392.3494 256.7142 -203493.8289 2508.9134 0.0000 0.0000 52138.0219 -109548.0212 299.6379 -161686.0431 -109185.6077 299.3536 -85.2341 -59.9589 759470.7595 11.8567 11.8009 PRESSURE: 22400 180.57 -129.327 -157.849 -129.329 -11.3948 -1.1603 -157.849 -1.15928 -47.7018 GPRESSURE: 22400 182.109 -138.229 -147.232 -166 12.0656 -65.5664 -209.227 -5.9333 9.22852 PRESSAVG: 22400 23.4984 -39.2041 -9.72677 -39.2042 -14.4597 9.10001 -9.72675 9.1001 -7.9468 GPRESSAVG: 22400 23.5687 -38.3747 -11.4273 -41.2349 -14.1827 9.9801 -9.29706 7.7837 -8.13568 TIMING: 22400 CPU: 70.2706, 0.00313449/step Wall: 70.2706, 0.00313449/step, 4.33395 hours remaining, 224.066406 MB of memory in use. ENERGY: 22400 4035.4508 20712.0164 14430.5432 264.0903 -203695.4233 2668.7996 0.0000 0.0000 52226.1690 -109358.3541 300.1445 -161584.5231 -109016.5805 299.9935 40.4913 67.8010 758956.8516 0.3640 0.4168 PRESSURE: 22600 174.808 52.4291 -66.5588 52.4291 315.144 -41.4119 -66.5583 -41.4129 -167.814 GPRESSURE: 22600 187.088 171.4 -151.697 23.3526 368.999 24.1437 69.6531 -115.516 -159.568 PRESSAVG: 22600 -24.159 -75.4591 -50.5575 -75.459 -18.7399 -15.3902 -50.5574 -15.3902 0.597222 GPRESSAVG: 22600 -24.0863 -77.3563 -48.2735 -75.1248 -20.1905 -14.6717 -51.8501 -16.8244 1.12942 TIMING: 22600 CPU: 70.8991, 0.00314243/step Wall: 70.8991, 0.00314243/step, 4.34476 hours remaining, 224.066406 MB of memory in use. ENERGY: 22600 3979.1716 20389.5518 14344.0970 255.6285 -203033.2129 2275.3313 0.0000 0.0000 52352.2723 -109437.1605 300.8692 -161789.4328 -109069.5173 300.2682 107.3791 132.1731 760072.5563 -14.1006 -14.3825 PRESSURE: 22800 -121.739 -11.4599 5.10205 -11.4595 -246.313 -212.191 5.10143 -212.191 145.813 GPRESSURE: 22800 147.248 101.697 84.1875 -84.8315 -281.913 -162.555 108.663 -152.249 26.8096 PRESSAVG: 22800 32.1295 -70.99 -73.7753 -70.99 -27.8313 -50.0917 -73.7752 -50.0916 16.5845 GPRESSAVG: 22800 32.1915 -70.5063 -74.4119 -70.0633 -27.1797 -50.2138 -70.8715 -51.7204 16.1946 TIMING: 22800 CPU: 71.532, 0.00316486/step Wall: 71.532, 0.00316486/step, 4.37559 hours remaining, 224.066406 MB of memory in use. ENERGY: 22800 3980.6124 20406.3484 14297.1858 245.4307 -202680.3197 2096.4099 0.0000 0.0000 52463.7644 -109190.5680 301.5100 -161654.3324 -108819.8106 299.9450 -74.0798 -35.9518 760468.5816 6.9609 7.0688 PRESSURE: 23000 288.323 -124.938 160.571 -124.938 384.937 32.4845 160.571 32.4849 -81.4934 GPRESSURE: 23000 292.829 -215.496 72.6623 -29.4635 382.146 -9.04206 -12.9202 75.876 -4.0827 PRESSAVG: 23000 17.7589 -40.0718 -55.644 -40.0718 3.14932 -65.2615 -55.6439 -65.2615 13.3124 GPRESSAVG: 23000 18.579 -41.6955 -53.8514 -38.2461 2.15665 -66.688 -58.4081 -62.5407 13.4724 TIMING: 23000 CPU: 72.1624, 0.00315158/step Wall: 72.1624, 0.00315158/step, 4.35706 hours remaining, 224.066406 MB of memory in use. ENERGY: 23000 3938.9708 20654.0990 14325.9384 234.2704 -203724.7239 2839.7702 0.0000 0.0000 52282.3177 -109449.3574 300.4672 -161731.6751 -109091.7476 300.1009 197.2555 223.6310 758887.2472 11.4069 11.4027 PRESSURE: 23200 -238.73 -25.2713 18.3425 -25.2718 -279.067 205.437 18.3421 205.437 -67.8669 GPRESSURE: 23200 -194.671 -147.588 -29.5361 -41.1817 -263.466 193.232 120.615 216.338 -27.1011 PRESSAVG: 23200 9.22042 28.7779 -68.8251 28.778 -21.8355 22.4651 -68.8251 22.4652 -3.714 GPRESSAVG: 23200 9.5887 30.9489 -70.9369 24.6192 -21.5646 23.264 -69.6488 22.4336 -4.46503 TIMING: 23200 CPU: 72.7897, 0.00313678/step Wall: 72.7897, 0.00313678/step, 4.33643 hours remaining, 224.066406 MB of memory in use. ENERGY: 23200 4005.1338 20496.8089 14397.9998 246.6096 -203057.3937 2348.5170 0.0000 0.0000 52106.9598 -109455.3648 299.4594 -161562.3246 -109090.2366 299.9807 -195.2213 -161.7460 760824.1805 -5.4430 -5.4803 PRESSURE: 23400 16.8618 178.44 -236.818 178.439 -302.35 -169.837 -236.818 -169.837 130.115 GPRESSURE: 23400 68.3124 115.344 -286.052 121.407 -220.117 -202.934 -54.1638 -108.172 86.5998 PRESSAVG: 23400 51.6256 -49.808 -45.6291 -49.808 -65.8853 14.4407 -45.6291 14.4408 27.8112 GPRESSAVG: 23400 51.039 -52.3542 -46.2511 -47.4944 -65.8429 16.4375 -44.2941 14.0583 27.9892 TIMING: 23400 CPU: 73.4176, 0.00313932/step Wall: 73.4176, 0.00313932/step, 4.33976 hours remaining, 224.066406 MB of memory in use. ENERGY: 23400 4007.9004 20539.9093 14467.0594 234.9011 -203458.9231 2745.3020 0.0000 0.0000 52085.5709 -109378.2801 299.3365 -161463.8510 -109007.8036 299.4295 -51.7913 -21.7348 760738.2292 4.5172 4.3951 PRESSURE: 23600 139.029 113.124 -257.65 113.124 147.121 -93.7144 -257.649 -93.7134 469.723 GPRESSURE: 23600 249.187 71.9345 -327.115 177.123 180.092 -121.905 -164.937 -102.141 407.474 PRESSAVG: 23600 33.2437 -4.45029 -59.5243 -4.45029 -8.7352 -29.8018 -59.5243 -29.8018 -18.1721 GPRESSAVG: 23600 33.25 -3.98249 -59.4482 -4.57595 -9.01255 -30.8464 -58.7915 -31.0289 -18.1965 TIMING: 23600 CPU: 74.0459, 0.0031414/step Wall: 74.0459, 0.0031414/step, 4.34246 hours remaining, 224.066406 MB of memory in use. ENERGY: 23600 3938.9526 20858.9271 14361.2831 236.1122 -203733.0809 2911.0588 0.0000 0.0000 52144.1571 -109282.5901 299.6732 -161426.7472 -108922.9872 299.5625 251.9574 278.9173 760367.6536 2.1121 2.0136 PRESSURE: 23800 -58.6443 -56.5935 -169.679 -56.5936 -261.326 74.8099 -169.679 74.8098 204.386 GPRESSURE: 23800 -51.5361 -51.5075 -201.195 -15.0805 -141.668 133.589 -49.8709 48.2482 143.488 PRESSAVG: 23800 81.8323 9.59976 -25.2702 9.59978 -82.0914 -40.5822 -25.2702 -40.5822 -4.28638 GPRESSAVG: 23800 81.2622 12.5066 -25.4386 9.07757 -81.3667 -40.7589 -26.6756 -39.2551 -5.08188 TIMING: 23800 CPU: 74.6746, 0.00314375/step Wall: 74.6746, 0.00314375/step, 4.34554 hours remaining, 224.066406 MB of memory in use. ENERGY: 23800 3952.8507 20712.7027 14389.8728 265.2271 -203467.2984 2395.5778 0.0000 0.0000 52396.6708 -109354.3964 301.1244 -161751.0672 -108990.6831 300.1093 -38.5280 -16.5719 761148.3687 -1.5152 -1.7288 PRESSURE: 24000 -197.276 -11.7496 53.205 -11.75 205.769 118.961 53.2057 118.96 -7.47981 GPRESSURE: 24000 -100.341 63.0163 88.6144 -0.353948 146.547 190.934 73.8193 65.0706 28.455 PRESSAVG: 24000 -1.93494 -23.864 27.1039 -23.864 -8.83381 -48.4956 27.1039 -48.4955 0.578564 GPRESSAVG: 24000 -1.9966 -25.6975 27.1795 -24.3942 -9.87271 -47.6122 27.6211 -49.8816 1.60556 TIMING: 24000 CPU: 75.2997, 0.00312525/step Wall: 75.2997, 0.00312525/step, 4.31979 hours remaining, 224.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 24000 3956.0922 20635.1978 14425.2736 249.2460 -203440.4678 2575.0494 0.0000 0.0000 52061.2852 -109538.3235 299.1969 -161599.6087 -109181.3275 299.7366 0.3376 24.8871 760558.4774 -3.3967 -3.4213 PRESSURE: 24200 -30.9485 -329.327 158.824 -329.328 94.8496 61.1151 158.824 61.1155 412.656 GPRESSURE: 24200 21.4711 -395.967 118.768 -250.905 170.903 52.7611 235.798 47.3078 379.809 PRESSAVG: 24200 5.40766 -12.2686 16.3598 -12.2686 -21.8177 47.0691 16.3598 47.0691 -14.0394 GPRESSAVG: 24200 5.91097 -11.4917 16.3512 -11.257 -22.4162 45.0874 15.8603 47.7603 -14.34 TIMING: 24200 CPU: 75.9269, 0.00313628/step Wall: 75.9269, 0.00313628/step, 4.33486 hours remaining, 224.066406 MB of memory in use. ENERGY: 24200 3905.3308 20507.7789 14403.0354 258.8901 -203400.2419 2634.3959 0.0000 0.0000 52248.1209 -109442.6897 300.2707 -161690.8107 -109084.7030 299.3718 158.8523 190.7278 759217.1808 -10.1498 -10.2817 LDB: ============= START OF LOAD BALANCING ============== 88.3235 LDB: ============== END OF LOAD BALANCING =============== 88.3237 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.3253 LDB: ============= START OF LOAD BALANCING ============== 88.6396 LDB: Largest compute 7045 load 0.032378 is 16.6% of average load 0.194994 LDB: Average compute 0.004356 is 2.2% of average load 0.194994 LDB: TIME 88.643 LOAD: AVG 0.194994 MAX 0.212669 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.855 MB LDB: TIME 88.6434 LOAD: AVG 0.194994 MAX 0.212669 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.855 MB LDB: TIME 88.6435 LOAD: AVG 0.194994 MAX 0.212669 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.855 MB LDB: ============== END OF LOAD BALANCING =============== 88.6454 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.6503 PRESSURE: 24400 -47.3807 -81.372 20.7914 -81.3712 0.0570007 -71.6636 20.7911 -71.6638 57.6082 GPRESSURE: 24400 53.3033 16.4625 -52.4068 -93.5858 42.1907 16.0528 -48.715 -85.3079 -6.52975 PRESSAVG: 24400 -28.2186 4.94289 -2.24379 4.94291 57.3727 8.56405 -2.24378 8.56403 17.2657 GPRESSAVG: 24400 -29.4082 4.23409 -0.352651 5.08243 58.594 9.19794 -2.77511 7.91072 17.2419 TIMING: 24400 CPU: 76.5675, 0.00320319/step Wall: 76.5675, 0.00320319/step, 4.42717 hours remaining, 223.539062 MB of memory in use. ENERGY: 24400 4127.3437 20611.5540 14406.4337 260.4860 -203517.1476 2580.9794 0.0000 0.0000 51981.2489 -109549.1018 298.7370 -161530.3508 -109178.6360 299.4140 3.4282 29.6547 759534.4979 15.4732 15.4759 PRESSURE: 24600 -93.7964 -108.865 -24.8543 -108.865 -25.4645 -27.2806 -24.8542 -27.2806 53.9442 GPRESSURE: 24600 -33.41 -97.0051 -0.873202 48.9393 -19.1189 32.5656 -143.198 -23.5954 64.0218 PRESSAVG: 24600 11.6333 -24.5037 -13.3223 -24.5037 -37.6552 -33.8654 -13.3223 -33.8655 2.78847 GPRESSAVG: 24600 11.4551 -25.545 -15.0532 -23.5563 -38.342 -32.8177 -11.897 -33.0321 3.21094 TIMING: 24600 CPU: 77.194, 0.00313244/step Wall: 77.194, 0.00313244/step, 4.32921 hours remaining, 223.742188 MB of memory in use. ENERGY: 24600 3998.2814 20414.3535 14452.3393 236.8541 -203328.6587 2501.6563 0.0000 0.0000 52081.8036 -109643.3706 299.3148 -161725.1742 -109270.0766 299.2079 -21.7722 3.8309 759584.4842 -7.7445 -7.8920 PRESSURE: 24800 221.381 -78.5845 146.136 -78.5845 85.5768 -18.5497 146.136 -18.5489 -84.5909 GPRESSURE: 24800 236.517 -44.6096 152.899 -91.6941 136.305 -42.4265 186.81 -64.1786 -62.6722 PRESSAVG: 24800 -49.8485 12.9533 -58.0106 12.9532 40.1327 46.4372 -58.0107 46.4372 40.3502 GPRESSAVG: 24800 -48.8059 12.4366 -57.5838 11.2098 40.9826 44.7911 -58.7781 45.0994 37.5606 TIMING: 24800 CPU: 77.8207, 0.00313309/step Wall: 77.8207, 0.00313309/step, 4.32994 hours remaining, 223.742188 MB of memory in use. ENERGY: 24800 4018.6498 20471.4808 14452.1609 252.8060 -203622.9564 2607.8736 0.0000 0.0000 52427.7514 -109392.2339 301.3030 -161819.9853 -109041.7079 300.1860 74.1224 103.3831 759476.2267 10.2114 9.9124 PRESSURE: 25000 184.585 -43.288 -157.187 -43.288 77.1479 36.2642 -157.186 36.2655 71.1894 GPRESSURE: 25000 232.077 -8.10444 -225.4 26.6339 104.216 -45.1636 -142.634 100.015 99.7429 PRESSAVG: 25000 15.3573 -13.2514 -18.7067 -13.2514 28.8585 -45.0459 -18.7066 -45.0459 -16.3896 GPRESSAVG: 25000 15.163 -12.8219 -18.4836 -12.3012 28.2052 -43.4914 -17.5953 -45.4887 -15.1621 TIMING: 25000 CPU: 78.4482, 0.0031376/step Wall: 78.4482, 0.0031376/step, 4.33599 hours remaining, 223.742188 MB of memory in use. ENERGY: 25000 4006.6928 20606.4914 14413.6066 248.0652 -203677.7821 2861.2208 0.0000 0.0000 52191.4942 -109350.2111 299.9452 -161541.7054 -108989.2546 299.9939 110.9742 145.3453 760501.0224 9.2754 9.4020 PRESSURE: 25200 -149.253 -203.04 -300.4 -203.04 25.0535 -7.91519 -300.401 -7.91464 84.3696 GPRESSURE: 25200 -67.3565 -131.901 -288.821 -228.224 81.7391 1.98433 -394.221 14.124 24.8628 PRESSAVG: 25200 -16.9682 -16.437 -18.7072 -16.437 8.98244 3.43629 -18.7072 3.43629 6.08504 GPRESSAVG: 25200 -15.9333 -16.0014 -18.6965 -17.9023 8.85861 4.75456 -19.8641 0.554317 5.48268 TIMING: 25200 CPU: 79.0767, 0.00314284/step Wall: 79.0767, 0.00314284/step, 4.34306 hours remaining, 223.742188 MB of memory in use. ENERGY: 25200 4031.1978 20614.2902 14468.4137 237.1159 -203192.6389 2337.1047 0.0000 0.0000 52158.0678 -109346.4487 299.7531 -161504.5165 -108987.4428 300.1704 -13.2766 13.0818 762045.9952 -0.6336 -0.5307 PRESSURE: 25400 -147.801 -5.22629 137.401 -5.22642 -361.935 40.4012 137.402 40.4019 166.58 GPRESSURE: 25400 -66.7784 0.787613 135.221 38.913 -356.93 18.3576 221.637 203.005 170.194 PRESSAVG: 25400 -23.6349 -13.0364 14.3637 -13.0364 40.5237 -8.62167 14.3638 -8.62157 9.56521 GPRESSAVG: 25400 -24.471 -12.8734 12.4753 -10.9394 39.3074 -9.09097 14.0553 -3.19732 11.7338 TIMING: 25400 CPU: 79.7102, 0.00316752/step Wall: 79.7102, 0.00316752/step, 4.37698 hours remaining, 223.742188 MB of memory in use. ENERGY: 25400 4008.9486 20610.0054 14450.6759 249.1256 -203205.7084 2518.3335 0.0000 0.0000 52106.6238 -109261.9955 299.4575 -161368.6193 -108892.2236 300.0566 -114.3852 -84.5051 760730.2418 8.8180 8.8567 PRESSURE: 25600 55.6838 -95.1242 -99.2718 -95.124 -286.41 -2.94846 -99.2727 -2.94877 -273.822 GPRESSURE: 25600 -6.76112 -155.035 -22.3516 -49.1089 -115.265 7.73728 -162.943 47.0621 -276.899 PRESSAVG: 25600 22.7206 -41.8647 7.7375 -41.8646 -26.9202 9.65101 7.73749 9.65092 -23.4467 GPRESSAVG: 25600 21.4129 -42.6315 10.1994 -44.5042 -24.1585 9.19507 7.85261 8.355 -25.0317 TIMING: 25600 CPU: 80.3442, 0.00316971/step Wall: 80.3442, 0.00316971/step, 4.37984 hours remaining, 223.742188 MB of memory in use. ENERGY: 25600 4038.7559 20476.0326 14481.9534 226.5244 -203374.4258 2392.5836 0.0000 0.0000 52456.0156 -109302.5603 301.4654 -161758.5758 -108939.9640 300.0417 -168.1828 -132.9749 760639.3524 -9.2154 -9.2591 PRESSURE: 25800 -247.552 71.9024 167.344 71.903 209.732 72.507 167.344 72.5075 -9.1689 GPRESSURE: 25800 -256.393 27.0882 136.485 36.6828 244.362 115.233 186.235 60.3487 48.1178 PRESSAVG: 25800 -16.2384 7.08298 -27.2398 7.08305 1.0472 -40.5839 -27.2399 -40.5838 0.370686 GPRESSAVG: 25800 -16.6478 7.75096 -27.7256 9.81345 0.26896 -40.3847 -27.3495 -40.4668 1.14418 TIMING: 25800 CPU: 80.9746, 0.00315203/step Wall: 80.9746, 0.00315203/step, 4.35523 hours remaining, 223.742188 MB of memory in use. ENERGY: 25800 3983.3727 20642.6828 14416.2540 268.3012 -203651.5259 2743.9792 0.0000 0.0000 52291.2846 -109305.6514 300.5187 -161596.9360 -108940.1748 299.8058 -15.6630 12.0290 762063.0127 -4.9402 -5.0782 PRESSURE: 26000 309.321 -84.105 39.4123 -84.1059 53.5854 0.963965 39.412 0.961976 198.261 GPRESSURE: 26000 336.616 -110.039 70.1309 -202.014 144.552 24.5526 7.20143 -51.5058 161.13 PRESSAVG: 26000 8.08811 -61.0856 35.8025 -61.0856 8.86103 0.650895 35.8025 0.650887 18.6232 GPRESSAVG: 26000 8.59855 -60.38 36.6417 -64.0237 8.92002 1.18862 34.4171 -0.461799 18.4627 TIMING: 26000 CPU: 81.6055, 0.00315431/step Wall: 81.6055, 0.00315431/step, 4.35821 hours remaining, 223.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 26000 3990.8147 20659.0965 14430.9311 234.6039 -203481.3430 2607.9996 0.0000 0.0000 52249.1734 -109308.7238 300.2767 -161557.8972 -108949.8468 300.1712 187.0556 214.0995 761700.2270 11.8574 11.9938 PRESSURE: 26200 -2.6668 50.728 57.4827 50.7272 14.8376 83.9127 57.4823 83.9123 216.661 GPRESSURE: 26200 51.1478 17.7817 99.4514 -33.3546 83.1703 102.632 89.4052 43.2591 189.949 PRESSAVG: 26200 10.878 -64.6162 32.7504 -64.6162 3.48582 -40.5439 32.7504 -40.5439 19.2546 GPRESSAVG: 26200 11.6552 -63.8047 31.8422 -66.4656 3.29297 -40.774 34.8924 -40.3354 18.7319 TIMING: 26200 CPU: 82.2345, 0.00314504/step Wall: 82.2345, 0.00314504/step, 4.34522 hours remaining, 223.742188 MB of memory in use. ENERGY: 26200 3918.3031 20631.5273 14542.0300 252.4434 -203656.0229 2932.4464 0.0000 0.0000 52302.2762 -109076.9964 300.5819 -161379.2726 -108700.6654 299.5265 76.2774 108.0891 763058.5274 11.2061 11.2267 PRESSURE: 26400 -679.269 -181.368 -36.8044 -181.368 -243.51 138.166 -36.8043 138.165 -34.8168 GPRESSURE: 26400 -557.463 -147.39 7.35185 -164.142 -226.271 136.548 -125.205 67.8849 -85.5991 PRESSAVG: 26400 -29.7733 -24.1536 -6.20324 -24.1537 4.1417 22.613 -6.20331 22.613 17.1307 GPRESSAVG: 26400 -28.5903 -25.3854 -7.18353 -21.999 3.2169 22.0972 -3.78324 22.4855 17.0084 TIMING: 26400 CPU: 82.8613, 0.00313415/step Wall: 82.8613, 0.00313415/step, 4.33 hours remaining, 223.742188 MB of memory in use. ENERGY: 26400 4012.6756 20506.4529 14456.2348 254.9331 -203139.8303 2414.7840 0.0000 0.0000 52440.7421 -109054.0079 301.3777 -161494.7500 -108690.2318 300.3498 -319.1987 -289.7777 763046.6359 -2.8336 -2.7883 PRESSURE: 26600 228.412 -70.7622 288.247 -70.7629 -42.2949 -20.3008 288.246 -20.301 18.4237 GPRESSURE: 26600 253.784 -66.0185 187.9 -24.7314 31.3352 18.0442 267.471 75.5561 -3.35625 PRESSAVG: 26600 -20.3318 7.59589 -18.1078 7.59589 -11.199 20.0004 -18.1079 20.0004 14.9795 GPRESSAVG: 26600 -21.3819 7.43063 -17.5569 7.36346 -11.8333 20.1238 -21.6202 18.8181 16.2301 TIMING: 26600 CPU: 83.4864, 0.00312575/step Wall: 83.4864, 0.00312575/step, 4.31822 hours remaining, 223.742188 MB of memory in use. ENERGY: 26600 4092.3285 20473.9780 14500.6367 235.0925 -204018.2122 3072.3443 0.0000 0.0000 52563.4267 -109080.4054 302.0827 -161643.8321 -108716.6256 299.8273 68.1802 93.9210 761427.8377 -5.5171 -5.6617 PRESSURE: 26800 -299.834 -59.4345 -190.631 -59.435 -317.245 -134.565 -190.632 -134.566 76.1336 GPRESSURE: 26800 -245.07 -159.517 -179.097 -3.24581 -183.319 -191.421 -169.825 52.0851 -27.3362 PRESSAVG: 26800 63.7318 -44.649 1.4368 -44.649 -41.583 -40.3908 1.43684 -40.3907 17.6142 GPRESSAVG: 26800 64.0761 -45.5533 1.3367 -43.1088 -40.2168 -38.1453 1.88209 -40.3515 15.9914 TIMING: 26800 CPU: 84.1152, 0.00314374/step Wall: 84.1152, 0.00314374/step, 4.3429 hours remaining, 223.742188 MB of memory in use. ENERGY: 26800 4051.3519 20689.3301 14472.4955 251.4989 -203296.6407 2492.1615 0.0000 0.0000 52303.5021 -109036.3006 300.5889 -161339.8027 -108669.4132 300.3095 -180.3150 -151.9085 761739.4748 13.2544 13.2836 PRESSURE: 27000 150.569 -20.0944 184.476 -20.0949 287.856 22.8224 184.477 22.8233 -263.78 GPRESSURE: 27000 120.432 -119.405 206.305 -68.868 347.042 64.5869 310.209 -68.9251 -231.297 PRESSAVG: 27000 7.08685 -30.8848 -0.261787 -30.8848 -20.5459 -34.7669 -0.261833 -34.7669 -8.37353 GPRESSAVG: 27000 7.46203 -29.0581 0.878631 -32.9788 -21.2965 -36.8332 2.64264 -32.882 -7.63132 TIMING: 27000 CPU: 84.7463, 0.00315529/step Wall: 84.7463, 0.00315529/step, 4.35869 hours remaining, 223.742188 MB of memory in use. ENERGY: 27000 4046.2000 20502.2936 14503.9781 241.7302 -203303.7584 2765.8862 0.0000 0.0000 52332.4488 -108911.2215 300.7553 -161243.6702 -108553.8664 300.3472 58.2152 78.7258 761590.1679 -7.2775 -7.1553 PRESSURE: 27200 -122.727 89.3583 -88.1409 89.358 -160.491 -356.506 -88.1413 -356.506 155.715 GPRESSURE: 27200 -73.9125 2.84219 -216.664 53.3006 -54.5903 -361.244 -6.8413 -323.348 89.5574 PRESSAVG: 27200 19.6028 -4.72453 20.5208 -4.7245 -9.45248 -33.2958 20.5208 -33.2958 4.82567 GPRESSAVG: 27200 19.1056 -6.35411 20.5622 -2.73699 -8.05061 -32.5509 18.1831 -34.6705 3.36806 TIMING: 27200 CPU: 85.3759, 0.00314833/step Wall: 85.3759, 0.00314833/step, 4.34889 hours remaining, 223.742188 MB of memory in use. ENERGY: 27200 4008.3812 20563.8044 14440.1855 244.7998 -203222.3529 2727.9503 0.0000 0.0000 52384.2406 -108852.9910 301.0530 -161237.2317 -108494.5445 300.4475 -42.5010 -12.9818 760848.3843 4.9920 4.8077 PRESSURE: 27400 202.173 -177.829 -37.3117 -177.828 -12.6116 130.172 -37.3112 130.172 140.661 GPRESSURE: 27400 201.264 -167.776 -50.483 -169.843 63.5966 140.135 -137.643 139.143 143.105 PRESSAVG: 27400 24.5299 -44.1042 10.8029 -44.1042 9.86755 -2.58608 10.803 -2.58612 -4.83427 GPRESSAVG: 27400 25.0142 -44.9868 10.478 -45.1454 8.91184 -4.09932 8.63038 -3.8781 -4.5214 TIMING: 27400 CPU: 86.0035, 0.00313796/step Wall: 86.0035, 0.00313796/step, 4.3344 hours remaining, 223.742188 MB of memory in use. ENERGY: 27400 4052.1371 20681.4586 14514.6225 258.6740 -203463.0375 2822.3405 0.0000 0.0000 52245.7580 -108888.0468 300.2571 -161133.8048 -108525.4133 301.0519 110.0740 135.9884 762101.9414 9.8544 9.8015 PRESSURE: 27600 239.979 9.72314 -13.2749 9.72283 -108.332 76.807 -13.276 76.8075 -230.416 GPRESSURE: 27600 227.056 33.3646 -134.838 -21.6955 -30.8712 20.5888 -39.8017 134.933 -198.176 PRESSAVG: 27600 22.272 -24.5825 43.8358 -24.5824 -12.2627 40.4526 43.8357 40.4526 2.74195 GPRESSAVG: 27600 21.1918 -22.2219 41.2111 -25.3348 -12.1372 41.8989 46.5306 42.6005 4.01103 TIMING: 27600 CPU: 86.6348, 0.00315628/step Wall: 86.6348, 0.00315628/step, 4.35953 hours remaining, 223.742188 MB of memory in use. ENERGY: 27600 4006.1731 20678.2436 14439.2326 264.0527 -203149.7338 2754.7849 0.0000 0.0000 52121.7843 -108885.4626 299.5446 -161007.2469 -108519.9481 299.9832 -32.9229 -0.6637 762949.1142 4.2504 4.3552 PRESSURE: 27800 21.1098 -203.559 -89.941 -203.559 211.227 -5.73285 -89.9415 -5.73333 124.781 GPRESSURE: 27800 109.39 -162.817 -150.589 -42.3869 253.201 66.9084 -22.6362 -96.4071 58.3276 PRESSAVG: 27800 37.8239 -34.7883 -40.3142 -34.7883 5.13193 21.7246 -40.3142 21.7247 16.8676 GPRESSAVG: 27800 38.5801 -34.7097 -37.3459 -31.189 4.99327 21.4878 -41.4468 20.4647 15.8414 TIMING: 27800 CPU: 87.2619, 0.00313558/step Wall: 87.2619, 0.00313558/step, 4.33076 hours remaining, 223.742188 MB of memory in use. ENERGY: 27800 3935.0095 20521.6715 14448.6682 242.4622 -203693.8782 3053.9892 0.0000 0.0000 52340.2480 -109151.8295 300.8001 -161492.0775 -108779.5935 300.0277 119.0394 140.3061 761691.4606 19.9411 19.8049 PRESSURE: 28000 101.089 -19.3313 328.249 -19.3312 -39.8817 81.0753 328.25 81.075 -487.729 GPRESSURE: 28000 149.478 -27.3495 273.557 -119.215 -4.23306 156.396 241.179 239.545 -480.56 PRESSAVG: 28000 -30.6121 -54.5595 1.27846 -54.5595 58.3004 -7.21561 1.27842 -7.2156 10.3768 GPRESSAVG: 28000 -30.0476 -53.4532 -0.757905 -56.5261 56.7438 -8.14759 3.00166 -7.29836 10.7313 TIMING: 28000 CPU: 87.8925, 0.00315311/step Wall: 87.8925, 0.00315311/step, 4.35479 hours remaining, 223.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 28000 4025.4752 20693.8730 14479.7366 252.9675 -202501.0813 1912.0682 0.0000 0.0000 51825.5464 -109311.4144 297.8421 -161136.9608 -108953.2955 299.5770 -142.1739 -111.7716 760495.7373 12.6884 12.4758 PRESSURE: 28200 -438.03 4.15597 -110.156 4.1562 226.925 -247.966 -110.156 -247.967 148.672 GPRESSURE: 28200 -258.6 -58.2957 -52.7379 -2.06746 121.614 -241.707 -36.5351 -56.1246 153.484 PRESSAVG: 28200 -12.1117 -39.5579 3.60483 -39.5579 26.4907 17.2726 3.60479 17.2726 18.1926 GPRESSAVG: 28200 -12.6397 -43.1071 5.14381 -38.6551 25.8754 17.7057 2.35847 19.0537 19.4094 TIMING: 28200 CPU: 88.5209, 0.00314201/step Wall: 88.5209, 0.00314201/step, 4.33929 hours remaining, 223.742188 MB of memory in use. ENERGY: 28200 4001.2254 20440.7662 14417.1962 246.8961 -202661.5568 2091.6451 0.0000 0.0000 52199.4488 -109264.3790 299.9909 -161463.8278 -108895.4465 299.6552 -20.8111 5.4995 760061.3643 10.8572 10.8817 LDB: ============= START OF LOAD BALANCING ============== 100.918 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 100.918 LDB: =============== DONE WITH MIGRATION ================ 100.92 LDB: ============= START OF LOAD BALANCING ============== 101.235 LDB: Largest compute 7025 load 0.030874 is 15.8% of average load 0.195132 LDB: Average compute 0.004379 is 2.2% of average load 0.195132 LDB: TIME 101.238 LOAD: AVG 0.195132 MAX 0.216022 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.324 MB LDB: TIME 101.239 LOAD: AVG 0.195132 MAX 0.216022 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.527 MB LDB: TIME 101.239 LOAD: AVG 0.195132 MAX 0.216022 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 101.241 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 101.246 PRESSURE: 28400 -119.057 24.2339 281.2 24.2332 -144.692 -31.4831 281.199 -31.4829 -86.771 GPRESSURE: 28400 -110.746 -48.6201 199.844 8.02256 -73.8792 -73.4799 374.657 -101.594 -83.8856 PRESSAVG: 28400 -36.7864 -40.8638 -15.5432 -40.8639 1.8448 -37.9586 -15.5432 -37.9585 -16.3727 GPRESSAVG: 28400 -36.7772 -38.9891 -18.2088 -43.1354 3.02824 -36.9369 -12.5106 -39.7116 -17.6115 TIMING: 28400 CPU: 89.163, 0.00321063/step Wall: 89.163, 0.00321063/step, 4.43388 hours remaining, 223.894531 MB of memory in use. ENERGY: 28400 4052.6237 20434.3444 14391.3020 252.8991 -203227.8343 2603.0745 0.0000 0.0000 52081.5591 -109412.0315 299.3134 -161493.5906 -109054.2221 299.7146 -116.8403 -89.5035 761456.5249 -17.1048 -17.1202 PRESSURE: 28600 -260.537 103.339 132.232 103.339 394.224 235.013 132.232 235.011 80.0875 GPRESSURE: 28600 -234.024 57.8301 191.381 38.7201 411.285 250.094 42.0584 186.881 125.734 PRESSAVG: 28600 -2.20311 -52.1519 -24.4011 -52.1519 50.0524 -9.14735 -24.4011 -9.14729 9.0889 GPRESSAVG: 28600 -1.87894 -51.2623 -23.2693 -51.314 50.0408 -8.01569 -26.1131 -9.27769 8.88641 TIMING: 28600 CPU: 89.7953, 0.00316158/step Wall: 89.7953, 0.00316158/step, 4.36596 hours remaining, 223.906250 MB of memory in use. ENERGY: 28600 3944.1515 20450.0358 14495.9600 262.0306 -203196.1789 2402.1170 0.0000 0.0000 52196.1330 -109445.7509 299.9719 -161641.8839 -109074.6468 299.4557 71.2582 100.9982 760573.2885 18.9794 19.0161 PRESSURE: 28800 -419.086 61.6577 52.6017 61.6588 55.8151 81.3963 52.6012 81.3954 200.529 GPRESSURE: 28800 -355.781 112.392 107.764 27.6837 62.5723 53.0462 146.978 29.5793 210.52 PRESSAVG: 28800 50.9342 -23.411 -18.6547 -23.411 -36.9316 -10.8475 -18.6547 -10.8475 -14.8425 GPRESSAVG: 28800 51.4853 -24.5691 -18.5323 -23.8714 -37.7411 -11.8377 -18.6063 -10.9328 -14.806 TIMING: 28800 CPU: 90.4216, 0.00313126/step Wall: 90.4216, 0.00313126/step, 4.32392 hours remaining, 223.910156 MB of memory in use. ENERGY: 28800 4057.8669 20465.0214 14431.0272 247.2298 -203019.8256 2286.7781 0.0000 0.0000 51864.8344 -109667.0678 298.0679 -161531.9022 -109311.6891 299.2254 -54.2474 -27.5629 760573.1372 -0.2800 -0.3539 PRESSURE: 29000 249.258 -217.704 29.0735 -217.704 -74.9729 -123.919 29.0742 -123.918 305.774 GPRESSURE: 29000 286.648 -135.655 76.8439 -17.5068 -34.6285 -71.4304 -25.0854 14.8814 296.908 PRESSAVG: 29000 6.25478 -8.33536 -20.6784 -8.33535 -27.9791 12.6504 -20.6783 12.6504 -12.6427 GPRESSAVG: 29000 4.70111 -8.03761 -19.1408 -6.86948 -27.1541 11.7718 -21.6144 14.7714 -11.7087 TIMING: 29000 CPU: 91.0513, 0.00314857/step Wall: 91.0513, 0.00314857/step, 4.34765 hours remaining, 223.933594 MB of memory in use. ENERGY: 29000 3896.4048 20501.7988 14403.3363 241.3179 -203405.2337 2561.7018 0.0000 0.0000 52004.6605 -109796.0136 298.8715 -161800.6741 -109438.1796 298.3427 160.0197 182.9756 760668.9080 -11.4557 -11.3872 PRESSURE: 29200 -154.454 -74.6099 -123.255 -74.61 -180.971 -160.576 -123.255 -160.576 179.253 GPRESSURE: 29200 -226.398 -56.9613 -94.3765 -218.771 -101.544 -149.553 -132.556 -1.87894 242.385 PRESSAVG: 29200 51.511 -36.362 -22.1319 -36.3619 -21.3852 22.2913 -22.1319 22.2914 23.1238 GPRESSAVG: 29200 53.0581 -36.7389 -21.6451 -37.555 -22.6804 22.7292 -20.9463 22.0446 22.7235 TIMING: 29200 CPU: 91.6837, 0.00316184/step Wall: 91.6837, 0.00316184/step, 4.3658 hours remaining, 223.933594 MB of memory in use. ENERGY: 29200 3960.8113 20437.5474 14406.3081 257.2066 -203209.8423 2388.4571 0.0000 0.0000 51713.7816 -110045.7302 297.1998 -161759.5118 -109691.4323 298.1744 -52.0570 -28.5190 761271.8208 17.7499 17.7004 PRESSURE: 29400 191.475 52.4594 103.773 52.4597 -262.341 249.048 103.773 249.048 -265.853 GPRESSURE: 29400 231.63 68.7322 165.346 -32.6073 -190.143 276.839 162.407 89.9232 -276.686 PRESSAVG: 29400 -6.19013 37.4283 46.5504 37.4283 48.2211 44.9641 46.5505 44.964 -5.39412 GPRESSAVG: 29400 -7.78626 38.2588 46.9826 37.1471 48.574 45.585 46.0062 44.8282 -3.98665 TIMING: 29400 CPU: 92.3128, 0.00314581/step Wall: 92.3128, 0.00314581/step, 4.34349 hours remaining, 223.933594 MB of memory in use. ENERGY: 29400 3921.0428 20440.0696 14429.4759 252.3924 -203513.7299 2525.5240 0.0000 0.0000 51955.9136 -109989.3117 298.5913 -161945.2253 -109635.7279 298.4640 -112.2397 -78.3995 759223.7892 12.2123 12.2670 PRESSURE: 29600 -83.7125 -116.393 14.4737 -116.393 -185.135 -236.031 14.4737 -236.032 103.026 GPRESSURE: 29600 -142.296 -41.234 -37.3241 -79.2662 -5.03041 -185.776 52.723 -70.1387 69.3668 PRESSAVG: 29600 6.19379 -19.1729 -6.76795 -19.1729 -21.9988 40.3109 -6.76796 40.3109 3.12134 GPRESSAVG: 29600 6.11839 -19.2744 -8.77131 -17.8396 -20.2331 39.8662 -4.7449 40.4203 1.10515 TIMING: 29600 CPU: 92.9431, 0.00315133/step Wall: 92.9431, 0.00315133/step, 4.35094 hours remaining, 223.933594 MB of memory in use. ENERGY: 29600 3908.4802 20508.1458 14418.9324 246.6279 -203292.7964 2477.7848 0.0000 0.0000 51800.9404 -109931.8847 297.7007 -161732.8251 -109568.9924 298.0682 -55.2738 -25.9866 759865.8803 -4.2279 -4.3365 PRESSURE: 29800 -39.8905 -48.3157 5.67265 -48.3154 119.664 186.963 5.67304 186.964 -145.083 GPRESSURE: 29800 29.5638 -56.6449 -77.3324 -74.3444 106.029 209.581 118.731 37.9032 -119.272 PRESSAVG: 29800 -8.34602 -9.8379 26.8123 -9.83783 13.8932 -5.49296 26.8124 -5.49295 9.14114 GPRESSAVG: 29800 -8.10384 -11.1933 25.6032 -10.4299 12.8168 -7.13959 26.4139 -6.66355 9.84024 TIMING: 29800 CPU: 93.5736, 0.00315268/step Wall: 93.5736, 0.00315268/step, 4.35263 hours remaining, 224.136719 MB of memory in use. ENERGY: 29800 4022.3679 20417.7792 14412.0545 251.4902 -203759.8526 2739.6940 0.0000 0.0000 51610.1854 -110306.2813 296.6044 -161916.4667 -109946.9312 297.7274 -21.7697 5.4402 761280.6484 4.8961 4.8511 PRESSURE: 30000 -340.815 -45.0824 -191.308 -45.0827 -202.523 204.799 -191.308 204.799 9.18316 GPRESSURE: 30000 -363.66 -54.6094 -149.979 -19.2064 -192.077 115.242 -335.333 275.212 87.0297 PRESSAVG: 30000 13.2629 -39.5437 -65.8397 -39.5437 -31.2092 19.4399 -65.8397 19.4398 6.33619 GPRESSAVG: 30000 13.8766 -38.3229 -62.9852 -39.7907 -32.1637 21.3931 -66.8876 18.4867 6.70956 TIMING: 30000 CPU: 94.2, 0.00313171/step Wall: 94.2, 0.00313171/step, 4.3235 hours remaining, 224.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 30000 3937.2415 20561.1400 14377.7197 256.3157 -203356.1205 2597.2151 0.0000 0.0000 51742.2515 -109884.2369 297.3634 -161626.4884 -109527.5555 298.0148 -178.0518 -156.2359 761172.6142 -3.8700 -3.8592 PRESSURE: 30200 -66.5539 -77.4296 25.1421 -77.4297 -95.0608 -17.3445 25.1429 -17.3448 138.817 GPRESSURE: 30200 6.21566 -26.6177 23.9223 -98.662 -84.5685 25.6365 -70.3789 -59.3833 132.012 PRESSAVG: 30200 -53.635 -60.9841 -2.55919 -60.9841 46.0071 4.54056 -2.55915 4.54061 20.9002 GPRESSAVG: 30200 -54.3904 -60.9922 -2.56911 -62.2521 46.0992 3.15589 -3.03292 6.58572 21.1007 TIMING: 30200 CPU: 94.8344, 0.0031719/step Wall: 94.8344, 0.0031719/step, 4.3788 hours remaining, 224.566406 MB of memory in use. ENERGY: 30200 3929.1328 20420.0696 14404.1470 260.5849 -203479.3738 2591.9444 0.0000 0.0000 52110.9696 -109762.5254 299.4825 -161873.4951 -109396.6509 298.3459 -7.5993 17.8865 760789.9047 4.4241 4.2698 PRESSURE: 30400 338.368 231.716 -24.6489 231.715 292.218 147.006 -24.6491 147.008 138.633 GPRESSURE: 30400 342.58 328.03 86.0716 159.796 402.399 81.7363 -12.3942 112.623 115.863 PRESSAVG: 30400 -13.8875 -46.7224 -36.4428 -46.7224 -2.13642 -0.22017 -36.4428 -0.220151 10.0847 GPRESSAVG: 30400 -13.727 -46.7985 -36.2234 -45.0428 -1.87927 0.841678 -35.7632 -1.74707 9.79034 TIMING: 30400 CPU: 95.4648, 0.00315233/step Wall: 95.4648, 0.00315233/step, 4.35162 hours remaining, 224.597656 MB of memory in use. ENERGY: 30400 3964.7426 20508.8755 14432.9307 244.6942 -203453.3330 2746.9615 0.0000 0.0000 51675.3840 -109879.7445 296.9791 -161555.1284 -109514.8737 298.6621 256.4064 286.9471 760961.7000 -1.9797 -1.9386 PRESSURE: 30600 -241.472 -12.3297 141.901 -12.3292 101.621 65.4077 141.902 65.4069 79.866 GPRESSURE: 30600 -192.248 16.7431 69.6655 68.2595 160.783 -5.76853 127.318 53.2689 33.844 PRESSAVG: 30600 -44.0508 -58.8281 1.30309 -58.8281 39.5288 10.8407 1.30304 10.8406 -16.984 GPRESSAVG: 30600 -44.2417 -57.452 1.47721 -57.9262 39.542 9.90191 0.853426 11.298 -16.7688 TIMING: 30600 CPU: 96.0954, 0.00315272/step Wall: 96.0954, 0.00315272/step, 4.35198 hours remaining, 224.613281 MB of memory in use. ENERGY: 30600 3982.8178 20136.5876 14471.2150 266.0074 -203557.3683 2357.6993 0.0000 0.0000 52144.0311 -110199.0102 299.6725 -162343.0413 -109825.7832 298.3773 -19.9950 0.7928 760894.7305 -7.1687 -7.1562 PRESSURE: 30800 -410.121 -60.3382 -192.726 -60.3372 232.679 -90.9762 -192.725 -90.9766 -438.62 GPRESSURE: 30800 -269.105 -35.1057 -100.194 -170.735 224.901 -57.9418 -140.572 -193.483 -475.96 PRESSAVG: 30800 -44.3486 -52.036 21.997 -52.0359 9.61932 -9.79556 21.997 -9.79548 5.81927 GPRESSAVG: 30800 -43.922 -53.1086 21.8865 -53.6386 10.1295 -7.66107 22.9017 -8.99125 4.47924 TIMING: 30800 CPU: 96.727, 0.00315832/step Wall: 96.727, 0.00315832/step, 4.35954 hours remaining, 224.613281 MB of memory in use. ENERGY: 30800 3995.4819 20348.5905 14389.7296 245.8745 -203336.1445 2373.2423 0.0000 0.0000 51759.7724 -110223.4532 297.4641 -161983.2256 -109862.5505 297.6420 -205.3540 -173.3881 761643.0993 -9.6367 -9.7711 PRESSURE: 31000 162.835 197.425 -37.7627 197.426 372.225 224.292 -37.7632 224.293 255.768 GPRESSURE: 31000 213.479 -47.645 -115.629 70.9954 386.335 231.312 -14.8875 161.66 290.132 PRESSAVG: 31000 -61.8995 -38.7606 -14.4045 -38.7605 80.7241 -32.919 -14.4044 -32.919 19.8686 GPRESSAVG: 31000 -61.4077 -39.162 -14.6667 -39.7665 79.291 -35.1413 -14.4021 -33.353 20.8741 TIMING: 31000 CPU: 97.3568, 0.00314888/step Wall: 97.3568, 0.00314888/step, 4.34633 hours remaining, 224.617188 MB of memory in use. ENERGY: 31000 4002.2973 20216.8973 14370.4419 247.8164 -203991.8815 2905.3956 0.0000 0.0000 52220.9548 -110028.0783 300.1145 -162249.0330 -109668.2839 296.8845 263.6095 296.6486 760150.1912 12.8977 12.9191 PRESSURE: 31200 -408.687 -257.163 -69.5251 -257.164 -143.579 -57.7868 -69.5249 -57.7869 -51.3488 GPRESSURE: 31200 -318.381 -201.175 -109.239 -59.7974 -120.413 -19.1999 -127.11 -112.967 -60.3754 PRESSAVG: 31200 -40.7976 -37.0896 -2.51146 -37.0896 90.2525 -3.34813 -2.51137 -3.34812 -2.87886 GPRESSAVG: 31200 -41.6726 -37.8624 -2.7242 -34.5374 90.4034 -3.3763 -1.70288 -2.96494 -2.50696 TIMING: 31200 CPU: 97.9864, 0.00314773/step Wall: 97.9864, 0.00314773/step, 4.34456 hours remaining, 224.621094 MB of memory in use. ENERGY: 31200 4022.0317 20315.2002 14388.8891 255.9460 -203085.8848 2494.2846 0.0000 0.0000 51574.0505 -110035.4827 296.3968 -161609.5332 -109673.7181 298.0844 -201.2050 -166.3899 763114.4424 15.5253 15.4079 PRESSURE: 31400 -335.226 80.1131 82.4059 80.1142 -76.646 79.2793 82.4059 79.2803 -40.2666 GPRESSURE: 31400 -268.73 172.939 168.135 62.2473 -77.5037 2.70451 28.8385 144.409 -15.4978 PRESSAVG: 31400 -82.7563 -63.1428 8.5201 -63.1428 3.23293 -22.4776 8.52006 -22.4776 15.6127 GPRESSAVG: 31400 -81.0656 -62.6944 8.59097 -62.8912 3.60303 -19.8605 8.67119 -25.4197 13.8468 TIMING: 31400 CPU: 98.6142, 0.00313934/step Wall: 98.6142, 0.00313934/step, 4.33281 hours remaining, 224.621094 MB of memory in use. ENERGY: 31400 3991.2841 20342.5059 14364.5929 254.3010 -203598.8142 2733.9909 0.0000 0.0000 51987.1693 -109924.9702 298.7710 -161912.1395 -109569.9777 297.7773 -150.7130 -120.5771 762712.3155 -21.3036 -21.2053 PRESSURE: 31600 -169.799 87.0176 136.498 87.0183 -36.3279 -90.6585 136.498 -90.658 224.237 GPRESSURE: 31600 -90.6814 104.642 107.991 150.312 -42.0208 -88.1142 140.724 20.5233 241.713 PRESSAVG: 31600 -21.9346 -35.338 25.399 -35.3379 7.7192 -35.7502 25.399 -35.7503 -12.8741 GPRESSAVG: 31600 -21.7976 -33.8554 25.6344 -36.8328 7.49751 -37.5767 22.1293 -34.1693 -12.0587 TIMING: 31600 CPU: 99.2425, 0.00314143/step Wall: 99.2425, 0.00314143/step, 4.33552 hours remaining, 224.621094 MB of memory in use. ENERGY: 31600 3865.1773 20449.5054 14328.0757 248.5623 -203127.6085 2341.8926 0.0000 0.0000 51766.0856 -110128.3095 297.5004 -161894.3951 -109768.7016 297.6906 6.0366 36.3369 761405.0461 -9.0298 -8.7863 PRESSURE: 31800 -189.605 -75.7711 153.643 -75.7723 -307.381 173.344 153.642 173.345 289.198 GPRESSURE: 31800 -173.871 -111.245 100.592 -42.1173 -256.726 79.488 86.5301 178.895 296.379 PRESSAVG: 31800 12.3897 -43.6944 7.03331 -43.6945 -21.3333 -23.1318 7.03331 -23.1318 0.869967 GPRESSAVG: 31800 11.6584 -45.3025 8.14245 -42.519 -20.8065 -23.1982 6.43823 -23.1249 1.21751 TIMING: 31800 CPU: 99.8687, 0.00313083/step Wall: 99.8687, 0.00313083/step, 4.32072 hours remaining, 224.625000 MB of memory in use. ENERGY: 31800 3947.0303 20449.7550 14457.2454 242.0081 -202969.4987 2429.1703 0.0000 0.0000 51458.2915 -109985.9982 295.7315 -161444.2897 -109628.3866 297.8756 -69.2624 -44.7392 762595.7308 -2.6912 -2.6436 PRESSURE: 32000 130.696 -114.11 137.856 -114.11 154.679 -72.2543 137.855 -72.2537 -250.701 GPRESSURE: 32000 143.169 -17.242 40.2969 -65.2909 250.159 -53.5118 242.768 -116.54 -290.769 PRESSAVG: 32000 -32.9419 -49.317 11.1627 -49.317 30.1968 -24.812 11.1627 -24.812 42.0773 GPRESSAVG: 32000 -32.6823 -49.0381 10.4449 -49.1363 30.3312 -23.8344 13.5364 -24.9516 42.1704 TIMING: 32000 CPU: 100.494, 0.00312876/step Wall: 100.494, 0.00312876/step, 4.31769 hours remaining, 224.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 32000 3938.0632 20480.5539 14460.8186 255.5218 -203779.3008 2698.2617 0.0000 0.0000 51991.9910 -109954.0906 298.7987 -161946.0816 -109590.2714 297.9702 11.5581 34.1860 760903.7224 13.1107 13.2731 PRESSURE: 32200 -80.0415 111.648 11.2504 111.648 271.076 347.922 11.2498 347.923 -14.105 GPRESSURE: 32200 -10.0472 123.061 46.0204 -22.6788 199.264 365.663 -201.576 407.092 64.0158 PRESSAVG: 32200 46.8409 -10.7898 3.99654 -10.7898 14.7617 31.7242 3.99648 31.7242 -0.62538 GPRESSAVG: 32200 46.8763 -11.3085 3.0772 -11.7435 14.1433 30.9684 4.4057 31.783 0.0114274 TIMING: 32200 CPU: 101.124, 0.00314887/step Wall: 101.124, 0.00314887/step, 4.34526 hours remaining, 224.625000 MB of memory in use. ENERGY: 32200 3960.1613 20457.6998 14386.2254 233.5770 -203102.7554 2456.1586 0.0000 0.0000 51796.6983 -109812.2350 297.6763 -161608.9333 -109455.4112 298.4406 58.9765 84.4109 762465.4293 20.3258 20.3437 LDB: ============= START OF LOAD BALANCING ============== 113.522 LDB: ============== END OF LOAD BALANCING =============== 113.522 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 113.524 LDB: ============= START OF LOAD BALANCING ============== 113.84 LDB: Largest compute 7075 load 0.033091 is 17.0% of average load 0.195041 LDB: Average compute 0.004356 is 2.2% of average load 0.195041 LDB: TIME 113.844 LOAD: AVG 0.195041 MAX 0.216122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 222.875 MB LDB: TIME 113.844 LOAD: AVG 0.195041 MAX 0.216122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.875 MB LDB: TIME 113.844 LOAD: AVG 0.195041 MAX 0.216122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.875 MB LDB: ============== END OF LOAD BALANCING =============== 113.846 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 113.851 PRESSURE: 32400 -171.309 104.229 29.3065 104.228 -552.717 -37.0198 29.3071 -37.0189 -513.395 GPRESSURE: 32400 -209.621 -49.2582 -10.2696 130.43 -425.475 -14.9674 78.9741 5.23607 -512.452 PRESSAVG: 32400 32.4692 -23.35 33.0922 -23.35 -54.717 59.0978 33.0921 59.0979 6.02996 GPRESSAVG: 32400 33.1135 -22.3372 34.3602 -24.5065 -55.3127 60.0064 32.0656 58.5635 5.91835 TIMING: 32400 CPU: 101.769, 0.00322272/step Wall: 101.769, 0.00322272/step, 4.447 hours remaining, 225.757812 MB of memory in use. ENERGY: 32400 4060.1446 20521.9951 14446.4140 252.9483 -203204.4486 2446.7625 0.0000 0.0000 51927.1581 -109549.0259 298.4261 -161476.1840 -109199.5258 298.7192 -412.4736 -382.5159 760545.9326 -5.4059 -5.4269 PRESSURE: 32600 -111.902 171.875 -40.7964 171.875 -62.1701 -6.65261 -40.7958 -6.6528 -323.323 GPRESSURE: 32600 -73.6993 67.3004 79.3991 132.483 -68.6753 11.4229 68.6279 87.2534 -266.674 PRESSAVG: 32600 -9.55408 -6.93554 -12.8033 -6.93554 31.3368 1.08267 -12.8033 1.08272 1.39913 GPRESSAVG: 32600 -10.2378 -6.5853 -12.9458 -5.88594 31.8362 1.74998 -11.7256 -0.0223442 1.40619 TIMING: 32600 CPU: 102.4, 0.00315689/step Wall: 102.4, 0.00315689/step, 4.35598 hours remaining, 225.972656 MB of memory in use. ENERGY: 32600 3933.4376 20688.6886 14391.6364 266.9888 -203139.5725 2431.8524 0.0000 0.0000 51707.3982 -109719.5705 297.1631 -161426.9687 -109359.1334 298.6526 -165.7984 -136.3496 761352.6102 7.7273 7.6682 PRESSURE: 32800 2.92961 16.1958 -112.281 16.1947 -267.074 -197.186 -112.281 -197.188 204.797 GPRESSURE: 32800 18.4698 -9.70942 -44.257 122.073 -169.829 -193.994 -126.946 -154.633 171.722 PRESSAVG: 32800 -15.1969 20.3076 9.77277 20.3076 -0.388658 7.84678 9.77271 7.84675 -3.80327 GPRESSAVG: 32800 -14.9299 20.8921 9.58817 20.1528 0.113688 6.70081 11.0745 10.5013 -3.95179 TIMING: 32800 CPU: 103.029, 0.00314384/step Wall: 103.029, 0.00314384/step, 4.33779 hours remaining, 225.972656 MB of memory in use. ENERGY: 32800 4007.4763 20571.6179 14451.8511 253.1679 -203535.5487 2771.1663 0.0000 0.0000 52015.4328 -109464.8365 298.9334 -161480.2692 -109105.8912 298.8748 -19.7823 6.7878 761395.1041 -6.4629 -6.2560 PRESSURE: 33000 -660.245 -94.6887 -120.861 -94.6894 -173.537 57.6115 -120.861 57.6112 -58.2817 GPRESSURE: 33000 -588.836 -60.5699 -7.12197 -44.695 -150.171 59.8682 -147.243 -14.3364 -70.785 PRESSAVG: 33000 44.8381 -27.8056 -3.68423 -27.8056 -26.7809 26.5034 -3.68419 26.5034 4.08858 GPRESSAVG: 33000 44.2352 -28.3161 -2.86863 -27.8681 -26.6025 26.0226 -5.90744 25.0461 4.59069 TIMING: 33000 CPU: 103.661, 0.00316247/step Wall: 103.661, 0.00316247/step, 4.36333 hours remaining, 225.972656 MB of memory in use. ENERGY: 33000 4038.5678 20603.3716 14410.8357 265.5033 -203423.8168 2640.7646 0.0000 0.0000 51781.6533 -109683.1206 297.5899 -161464.7738 -109331.4808 298.9253 -297.3544 -269.9309 761155.6374 7.3819 7.4078 PRESSURE: 33200 310.515 99.1805 -135.316 99.1806 162.383 33.9313 -135.316 33.9296 -51.7023 GPRESSURE: 33200 322.808 31.929 -117.082 -38.0667 134.233 -76.8642 -75.0573 -27.1451 51.7718 PRESSAVG: 33200 -1.87153 -62.6077 12.0222 -62.6078 -12.8671 8.0251 12.0222 8.0251 28.5402 GPRESSAVG: 33200 -2.23972 -61.4893 11.4299 -62.6427 -11.9849 8.06693 13.7501 7.66071 28.6346 TIMING: 33200 CPU: 104.296, 0.00317155/step Wall: 104.296, 0.00317155/step, 4.37569 hours remaining, 226.023438 MB of memory in use. ENERGY: 33200 3992.9981 20524.3800 14394.3296 246.4281 -203575.5943 2775.0604 0.0000 0.0000 51964.5101 -109677.8881 298.6408 -161642.3981 -109317.5921 299.2329 140.3986 169.6042 760279.2967 4.6005 4.8033 PRESSURE: 33400 -3.41584 -28.2173 -237.712 -28.2169 -34.459 -23.3338 -237.713 -23.3334 419.859 GPRESSURE: 33400 43.0628 -24.7068 -218.368 -40.9356 24.8986 45.899 -28.2963 -124.92 382.487 PRESSAVG: 33400 -20.3233 27.2467 -6.76836 27.2467 -2.82159 28.7855 -6.76841 28.7855 17.6398 GPRESSAVG: 33400 -19.4012 25.3139 -6.33072 27.7324 -2.39805 30.316 -7.05163 27.6021 15.8665 TIMING: 33400 CPU: 104.925, 0.00314741/step Wall: 104.925, 0.00314741/step, 4.3422 hours remaining, 226.023438 MB of memory in use. ENERGY: 33400 4011.9524 20330.0186 14449.0183 251.9244 -203844.2080 2915.5282 0.0000 0.0000 52101.9974 -109783.7686 299.4309 -161885.7661 -109419.1210 298.8590 127.3281 150.1494 760571.3217 -1.8350 -1.9776 PRESSURE: 33600 21.5242 22.9095 -156.568 22.9108 334.882 176.72 -156.568 176.721 47.7976 GPRESSURE: 33600 68.5389 15.9914 24.3774 -121.398 328.456 236.076 -58.3655 227.446 110.793 PRESSAVG: 33600 -8.15547 -47.7737 -3.88731 -47.7737 -22.4682 21.8974 -3.88731 21.8974 -5.38749 GPRESSAVG: 33600 -6.75422 -47.1852 -3.62969 -48.5852 -24.3129 21.9023 -2.59197 23.8499 -4.7767 TIMING: 33600 CPU: 105.556, 0.00315192/step Wall: 105.556, 0.00315192/step, 4.34825 hours remaining, 226.023438 MB of memory in use. ENERGY: 33600 4015.2725 20378.9979 14359.3659 229.5799 -203592.0391 2799.9565 0.0000 0.0000 51928.0423 -109880.8239 298.4312 -161808.8663 -109523.5015 298.5675 134.7345 169.2627 762182.0289 -12.0037 -11.9479 PRESSURE: 33800 -138.624 76.3968 55.5657 76.3965 65.544 -112.186 55.5653 -112.187 -54.9801 GPRESSURE: 33800 -145.777 -19.2699 115.681 36.9319 109.799 -41.7402 5.8977 16.0294 1.38372 PRESSAVG: 33800 -94.3506 2.90478 16.1832 2.9047 79.6181 24.7616 16.1832 24.7615 -11.8603 GPRESSAVG: 33800 -95.7723 3.77182 15.1613 1.83461 80.218 23.6961 15.8012 23.8354 -10.8744 TIMING: 33800 CPU: 106.184, 0.00314089/step Wall: 106.184, 0.00314089/step, 4.33286 hours remaining, 226.023438 MB of memory in use. ENERGY: 33800 3914.3421 20364.1854 14433.6086 250.4758 -203743.7498 2686.0776 0.0000 0.0000 52117.7798 -109977.2805 299.5216 -162095.0603 -109607.3321 298.6823 -42.6868 -11.5316 763911.2052 -8.8643 -8.8095 PRESSURE: 34000 -87.846 162.029 64.671 162.029 -172.385 295.45 64.6716 295.451 -210.747 GPRESSURE: 34000 -44.4538 142.734 -35.3269 152.441 -135.88 278.665 -57.0381 276.517 -201.028 PRESSAVG: 34000 -40.2153 -9.51027 -55.7661 -9.5103 79.2135 59.4932 -55.7662 59.4932 11.6365 GPRESSAVG: 34000 -40.8655 -9.80783 -54.8461 -10.4973 79.369 58.9294 -56.4916 60.9331 11.8218 TIMING: 34000 CPU: 106.809, 0.00312739/step Wall: 106.809, 0.00312739/step, 4.31406 hours remaining, 226.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 34000 4004.4993 20572.4871 14457.4267 237.8646 -203281.6626 2347.9011 0.0000 0.0000 51664.6757 -109996.8081 296.9176 -161661.4838 -109647.0829 298.2357 -156.9927 -127.1206 761546.3319 16.8782 16.7751 PRESSURE: 34200 -244.874 -161.027 -17.2906 -161.027 50.5066 -11.0027 -17.2912 -11.0018 -92.7959 GPRESSURE: 34200 -117.191 -123.591 -10.8505 -23.9519 -21.6219 -48.2392 19.1505 -28.3849 -55.5996 PRESSAVG: 34200 -11.8684 -39.1685 -22.3433 -39.1685 47.7225 89.9119 -22.3433 89.9118 2.12564 GPRESSAVG: 34200 -10.7596 -39.8858 -22.6686 -37.636 47.0968 91.4536 -21.4261 88.8789 1.65679 TIMING: 34200 CPU: 107.438, 0.00314185/step Wall: 107.438, 0.00314185/step, 4.33383 hours remaining, 226.023438 MB of memory in use. ENERGY: 34200 3981.3296 20408.6932 14407.4191 228.8026 -203803.8342 2727.2827 0.0000 0.0000 51958.1982 -110092.1089 298.6045 -162050.3070 -109741.2955 298.1367 -95.7212 -64.8043 759471.6441 12.6599 12.6647 PRESSURE: 34400 -417.155 -51.2592 -118.168 -51.2589 -217.123 -86.913 -118.168 -86.9117 151.481 GPRESSURE: 34400 -357.79 -46.7595 -54.7744 74.081 -131.965 -178.297 -52.8499 -36.3553 115.233 PRESSAVG: 34400 -9.84218 -98.4229 -6.7236 -98.4228 -6.12216 6.17293 -6.72363 6.17295 12.1405 GPRESSAVG: 34400 -9.82148 -97.9047 -7.2131 -99.594 -5.8274 5.38482 -7.43278 6.23677 11.8809 TIMING: 34400 CPU: 108.068, 0.00315075/step Wall: 108.068, 0.00315076/step, 4.34594 hours remaining, 226.023438 MB of memory in use. ENERGY: 34400 3979.2773 20497.9296 14417.2636 260.7180 -203362.1885 2489.6757 0.0000 0.0000 51930.5519 -109786.7725 298.4456 -161717.3244 -109420.1236 298.8020 -160.9323 -124.8405 761883.9512 -1.2746 -1.2560 PRESSURE: 34600 81.7706 123.579 35.6634 123.581 -15.7167 155.284 35.6636 155.284 -5.23507 GPRESSURE: 34600 193.481 -31.8824 78.0406 93.1259 -0.832602 105.735 32.1549 198.454 -59.1606 PRESSAVG: 34600 14.5278 -44.7931 -6.06335 -44.793 -5.59302 23.6621 -6.06341 23.662 -4.28558 GPRESSAVG: 34600 13.8365 -43.9965 -5.69441 -45.2588 -5.72301 23.4826 -6.26978 23.2834 -4.03721 TIMING: 34600 CPU: 108.694, 0.00313253/step Wall: 108.694, 0.00313253/step, 4.32062 hours remaining, 226.023438 MB of memory in use. ENERGY: 34600 3999.0332 20577.6593 14431.1594 241.1943 -203448.5768 2544.1480 0.0000 0.0000 52176.4183 -109478.9643 299.8586 -161655.3826 -109122.2138 298.8979 20.2730 44.4961 761567.8106 1.5498 1.3587 PRESSURE: 34800 -38.1218 -435.98 -24.6886 -435.979 -196.248 -144.144 -24.689 -144.144 152.365 GPRESSURE: 34800 -75.0498 -334.652 -85.9755 -466.919 -160.006 -56.1287 -142.772 -223.501 219.659 PRESSAVG: 34800 13.1679 -94.1653 22.2256 -94.1653 -12.9205 3.81411 22.2256 3.81414 -4.99768 GPRESSAVG: 34800 12.0692 -96.0251 20.5189 -93.191 -12.6618 6.35101 22.3515 2.22117 -4.49744 TIMING: 34800 CPU: 109.318, 0.00311899/step Wall: 109.318, 0.00311899/step, 4.30178 hours remaining, 226.070312 MB of memory in use. ENERGY: 34800 4116.0332 20281.5701 14493.8352 254.1396 -203435.6082 2667.7075 0.0000 0.0000 52310.2736 -109312.0489 300.6279 -161622.3225 -108942.4457 299.5377 -27.3349 -5.1324 761607.2721 -1.5834 -1.6967 PRESSURE: 35000 262.871 -72.6165 -7.24207 -72.6165 159.4 -135.467 -7.24134 -135.467 146.435 GPRESSURE: 35000 322.053 -61.7053 97.5929 -12.6577 168.689 -70.7869 75.836 -212.375 145.881 PRESSAVG: 35000 40.8841 -44.4037 32.0757 -44.4038 13.6538 -32.6379 32.0757 -32.6378 -19.2492 GPRESSAVG: 35000 41.4144 -44.0305 32.4142 -46.279 13.4015 -36.0038 34.3704 -30.4792 -20.48 TIMING: 35000 CPU: 109.947, 0.00314332/step Wall: 109.947, 0.00314332/step, 4.33516 hours remaining, 226.070312 MB of memory in use. ENERGY: 35000 3973.6235 20561.3997 14581.0795 257.1583 -203770.3531 2898.6211 0.0000 0.0000 52264.5196 -109233.9515 300.3649 -161498.4711 -108871.1461 299.8876 189.5684 212.2075 760991.8496 11.7629 11.4453 PRESSURE: 35200 93.7596 88.9655 -35.4647 88.9644 -384.979 -223.003 -35.4642 -223.002 90.1779 GPRESSURE: 35200 48.3585 -23.0709 -1.58306 72.0701 -252.944 -149.433 -56.9887 -216.681 107.983 PRESSAVG: 35200 -1.02001 -56.9062 22.8934 -56.9062 -26.4171 -38.9572 22.8933 -38.9572 -48.1493 GPRESSAVG: 35200 -1.39991 -53.6489 22.8103 -56.8579 -26.6906 -37.0526 21.9007 -39.6663 -47.5035 TIMING: 35200 CPU: 110.576, 0.00314587/step Wall: 110.576, 0.00314587/step, 4.3385 hours remaining, 226.070312 MB of memory in use. ENERGY: 35200 3995.5974 20497.7442 14457.9999 255.0825 -203097.0830 2655.3237 0.0000 0.0000 52000.3828 -109234.9525 298.8469 -161235.3353 -108884.4758 299.6078 -67.0138 -32.2010 761487.0462 -25.1955 -25.1980 PRESSURE: 35400 -300.538 78.2708 109.894 78.271 -157.216 140.335 109.893 140.336 -23.007 GPRESSURE: 35400 -237.003 56.4374 94.7415 69.1662 -149.412 151.927 88.9067 145.522 -17.3038 PRESSAVG: 35400 -14.0776 -32.6414 24.232 -32.6414 -5.66035 -35.3931 24.232 -35.3931 31.2615 GPRESSAVG: 35400 -13.2188 -35.5047 25.3177 -30.82 -6.07358 -36.206 23.102 -35.8912 30.7818 TIMING: 35400 CPU: 111.204, 0.00313964/step Wall: 111.204, 0.00313964/step, 4.32974 hours remaining, 226.070312 MB of memory in use. ENERGY: 35400 4005.6658 20483.5758 14485.4409 270.3653 -203155.4781 2471.0274 0.0000 0.0000 51886.6857 -109552.7173 298.1935 -161439.4030 -109194.7498 299.1809 -160.2537 -134.5729 762628.0513 3.8412 3.8298 PRESSURE: 35600 -225.82 -143.223 -200.96 -143.223 -378.051 -231.884 -200.96 -231.884 -195.808 GPRESSURE: 35600 -188.855 -117.6 -210.379 -73.7242 -377.793 -211.202 -198.586 -260.184 -157.475 PRESSAVG: 35600 -53.2261 17.389 -52.7754 17.389 66.9093 11.9343 -52.7754 11.9344 -13.1325 GPRESSAVG: 35600 -53.0425 17.0641 -51.9751 18.7531 67.2745 11.8543 -52.5465 13.8925 -13.5143 TIMING: 35600 CPU: 111.829, 0.00312797/step Wall: 111.829, 0.00312797/step, 4.31347 hours remaining, 226.070312 MB of memory in use. ENERGY: 35600 4088.2336 20508.5727 14466.5737 250.5816 -203115.3366 2288.8912 0.0000 0.0000 52183.0128 -109329.4710 299.8965 -161512.4838 -108969.3159 298.9307 -266.5600 -241.3744 762581.5491 0.1836 0.2392 PRESSURE: 35800 -311.31 -23.6906 -142.275 -23.6905 59.3585 -49.1417 -142.276 -49.1418 185.136 GPRESSURE: 35800 -224.104 25.0179 -88.5007 -139.617 50.455 -72.729 -102.365 -19.7367 164.979 PRESSAVG: 35800 18.328 -102.113 30.1831 -102.113 0.383807 -14.2121 30.1831 -14.2122 -8.87141 GPRESSAVG: 35800 17.6324 -104.264 29.0311 -102.031 0.597518 -13.8662 32.0413 -14.0682 -8.52928 TIMING: 35800 CPU: 112.459, 0.00314737/step Wall: 112.459, 0.00314737/step, 4.34005 hours remaining, 226.070312 MB of memory in use. ENERGY: 35800 4089.1556 20515.0735 14484.8329 263.4312 -203365.0679 2471.9891 0.0000 0.0000 52227.4667 -109313.1187 300.1520 -161540.5855 -108955.1672 299.5150 -22.2721 -2.8901 760789.2167 3.2801 3.2335 PRESSURE: 36000 -378.353 -285.518 88.3932 -285.519 -14.3732 -61.1678 88.3939 -61.1682 -29.6963 GPRESSURE: 36000 -293.06 -287.521 61.4502 -290.413 -68.0653 -8.13936 66.3553 -42.6069 27.8461 PRESSAVG: 36000 -28.4893 -53.1798 15.7103 -53.1798 40.6144 -67.5814 15.7103 -67.5815 19.1643 GPRESSAVG: 36000 -27.9702 -50.9464 15.5997 -53.932 40.5356 -66.4949 13.5706 -69.8711 18.8858 TIMING: 36000 CPU: 113.087, 0.00314304/step Wall: 113.087, 0.00314304/step, 4.3339 hours remaining, 226.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 36000 4031.6385 20542.8010 14443.5530 266.0343 -203310.7310 2705.1220 0.0000 0.0000 52009.4350 -109312.1473 298.8989 -161321.5823 -108946.2357 299.5175 -140.8076 -111.0931 760201.4984 10.4298 10.4837 PRESSURE: 36200 -195.2 -263.256 -131.947 -263.256 -129.313 210.152 -131.947 210.153 -143.187 GPRESSURE: 36200 -184.245 -247.147 -128.424 -143.654 -110.915 41.4789 -134.369 234.762 -91.8995 PRESSAVG: 36200 -12.8978 -91.5354 -16.0098 -91.5354 9.86776 -18.2374 -16.0098 -18.2374 -13.9704 GPRESSAVG: 36200 -14.4487 -91.4257 -16.6141 -91.0832 10.0461 -18.2663 -16.426 -17.7715 -13.3266 TIMING: 36200 CPU: 113.715, 0.00313698/step Wall: 113.715, 0.00313698/step, 4.32538 hours remaining, 226.070312 MB of memory in use. ENERGY: 36200 3963.8852 20586.3532 14445.9317 264.8164 -203125.8480 2517.9308 0.0000 0.0000 52017.6864 -109329.2441 298.9464 -161346.9306 -108965.7974 299.5537 -155.9000 -129.0197 761716.9556 -5.6668 -5.9097 LDB: ============= START OF LOAD BALANCING ============== 126.112 LDB: ============== END OF LOAD BALANCING =============== 126.112 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 126.114 LDB: ============= START OF LOAD BALANCING ============== 126.427 LDB: Largest compute 7067 load 0.032069 is 16.4% of average load 0.195202 LDB: Average compute 0.004354 is 2.2% of average load 0.195202 LDB: TIME 126.43 LOAD: AVG 0.195202 MAX 0.21785 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.797 MB LDB: TIME 126.431 LOAD: AVG 0.195202 MAX 0.21785 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.906 MB LDB: TIME 126.431 LOAD: AVG 0.195202 MAX 0.21785 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.906 MB LDB: ============== END OF LOAD BALANCING =============== 126.433 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 126.438 PRESSURE: 36400 -531.729 -76.9798 169.761 -76.9805 101.015 -219.924 169.761 -219.923 -119.118 GPRESSURE: 36400 -492.483 -44.1589 17.961 -209.069 117.627 -240.517 200.579 -168.401 -103.586 PRESSAVG: 36400 -68.2517 -52.3642 31.6267 -52.3642 76.7285 -61.4398 31.6267 -61.4398 -9.20367 GPRESSAVG: 36400 -68.4219 -52.9558 31.5207 -51.396 76.3591 -64.2397 33.8205 -59.7754 -9.41136 TIMING: 36400 CPU: 114.355, 0.00319972/step Wall: 114.355, 0.00319972/step, 4.4117 hours remaining, 224.203125 MB of memory in use. ENERGY: 36400 4056.8278 20743.4521 14518.1498 227.9799 -202906.0338 2270.1824 0.0000 0.0000 51799.1088 -109290.3330 297.6902 -161089.4418 -108931.2152 299.6813 -183.2774 -159.4804 759503.5928 -0.2423 -0.4914 PRESSURE: 36600 -141.589 -85.6517 75.8643 -85.6518 -279.781 12.6172 75.8645 12.6177 228.829 GPRESSURE: 36600 -65.351 -45.1954 103.421 42.5379 -263.474 54.5778 155.511 98.1272 218.385 PRESSAVG: 36600 -15.3887 -27.4364 -25.373 -27.4364 12.0821 -42.1425 -25.3729 -42.1425 6.94183 GPRESSAVG: 36600 -15.4567 -26.1043 -25.1693 -29.5185 11.8842 -40.0651 -27.1782 -43.6428 7.12484 TIMING: 36600 CPU: 114.981, 0.00313219/step Wall: 114.981, 0.00313219/step, 4.31842 hours remaining, 224.726562 MB of memory in use. ENERGY: 36600 3969.0807 20611.7886 14476.8798 271.2276 -203408.1580 2560.5338 0.0000 0.0000 52077.5682 -109441.0793 299.2905 -161518.6475 -109077.8000 299.6330 -64.1803 -36.8132 760401.2894 1.2117 1.1841 PRESSURE: 36800 287.949 -73.6622 12.5471 -73.6623 178.485 22.1861 12.5461 22.1874 284.971 GPRESSURE: 36800 376.645 -130.114 -1.69691 -173.065 198.009 -27.756 -123.457 68.1165 281.996 PRESSAVG: 36800 -47.9898 -76.2419 7.52872 -76.242 18.9366 30.7809 7.52872 30.7809 28.1024 GPRESSAVG: 36800 -47.9336 -79.3248 8.41317 -75.803 18.9525 30.9389 8.70398 29.1511 27.6971 TIMING: 36800 CPU: 115.61, 0.00314278/step Wall: 115.61, 0.00314278/step, 4.33285 hours remaining, 224.726562 MB of memory in use. ENERGY: 36800 3982.7587 20617.2915 14380.4149 241.6991 -203795.9039 3039.8946 0.0000 0.0000 52178.1517 -109355.6934 299.8686 -161533.8451 -108989.3174 299.3729 250.4687 285.5502 760864.3526 -0.3169 -0.4280 PRESSURE: 37000 -122.832 -175.336 10.8155 -175.336 123.354 -3.56232 10.8145 -3.56167 -28.6316 GPRESSURE: 37000 -152.822 -147.15 11.8798 -122.072 176.697 -8.71604 -43.6842 80.2649 3.52004 PRESSAVG: 37000 -21.5247 -68.567 39.2993 -68.5671 34.2528 15.579 39.2993 15.579 1.04104 GPRESSAVG: 37000 -21.7279 -65.1257 39.3573 -68.8275 33.6227 14.4294 40.1352 17.2567 1.76131 TIMING: 37000 CPU: 116.237, 0.00313469/step Wall: 116.237, 0.00313469/step, 4.32152 hours remaining, 224.726562 MB of memory in use. ENERGY: 37000 4039.0246 20574.2911 14391.6579 220.5246 -203447.5019 2618.0011 0.0000 0.0000 52178.8246 -109425.1779 299.8724 -161604.0025 -109054.8573 299.3550 -9.3699 9.1317 761709.7914 4.5897 4.5520 PRESSURE: 37200 -285.912 -282.375 40.2281 -282.375 -294.739 326.693 40.2278 326.693 -106.571 GPRESSURE: 37200 -231.559 -73.8568 7.13543 -202.47 -285.834 413.646 -132.28 386.66 -73.4299 PRESSAVG: 37200 -15.043 -3.80218 20.0961 -3.80213 9.23998 16.6805 20.0961 16.6805 9.56162 GPRESSAVG: 37200 -13.6566 -3.9243 19.2416 -4.59881 9.50682 17.1972 18.8059 18.6824 8.26409 TIMING: 37200 CPU: 116.863, 0.00312871/step Wall: 116.863, 0.00312871/step, 4.3131 hours remaining, 224.726562 MB of memory in use. ENERGY: 37200 4016.2046 20706.0990 14401.3534 274.9224 -203369.1742 2522.7349 0.0000 0.0000 51973.6441 -109474.2159 298.6932 -161447.8601 -109113.0184 299.4142 -229.0743 -196.9410 760862.8751 1.2529 1.3714 PRESSURE: 37400 -347.712 174.201 -241.426 174.202 -313.809 61.7604 -241.425 61.7614 -404.801 GPRESSURE: 37400 -277.672 127.845 -255.786 236.467 -191.154 -28.9796 -174.165 110.268 -519.209 PRESSAVG: 37400 -17.4416 -37.5452 -20.2141 -37.5451 -1.91837 -30.4486 -20.2141 -30.4485 18.4518 GPRESSAVG: 37400 -17.9446 -40.5481 -18.9371 -36.3898 -0.808717 -31.4832 -20.1757 -31.2126 17.8858 TIMING: 37400 CPU: 117.487, 0.00311997/step Wall: 117.487, 0.00311997/step, 4.30088 hours remaining, 224.726562 MB of memory in use. ENERGY: 37400 4000.7828 20629.2072 14491.8527 258.7094 -203138.1243 2347.4096 0.0000 0.0000 51980.2588 -109429.9038 298.7313 -161410.1626 -109059.8005 299.2049 -355.4403 -329.3450 762807.3417 -0.3027 -0.2892 PRESSURE: 37600 240.663 -235.572 375.411 -235.573 -242.68 -14.1878 375.41 -14.1882 -84.1595 GPRESSURE: 37600 108.904 -206.395 321.819 -235.366 -112.943 -76.6548 356.902 194.734 18.8497 PRESSAVG: 37600 -17.2488 -36.4618 40.4171 -36.4618 15.7029 2.40952 40.4171 2.4095 3.22535 GPRESSAVG: 37600 -17.467 -35.3316 39.1029 -35.767 16.1567 3.63856 42.145 1.03788 4.16047 TIMING: 37600 CPU: 118.113, 0.00313194/step Wall: 118.113, 0.00313194/step, 4.31721 hours remaining, 224.726562 MB of memory in use. ENERGY: 37600 3954.9311 20646.3016 14454.3662 249.7890 -203398.1677 2747.7442 0.0000 0.0000 52032.7830 -109312.2527 299.0331 -161345.0356 -108948.9183 299.4565 -28.7255 4.9369 760677.4110 0.5598 0.9501 PRESSURE: 37800 -38.6371 -135.181 -23.3196 -135.182 235.965 -194.242 -23.3185 -194.243 -207.141 GPRESSURE: 37800 15.2933 -101.823 -63.7157 -196.632 246.292 -269.374 -4.06549 -99.4043 -204.823 PRESSAVG: 37800 -25.8087 -53.0116 13.9575 -53.0116 22.6976 -9.93905 13.9575 -9.93895 12.1709 GPRESSAVG: 37800 -25.69 -52.7576 16.0593 -52.1361 22.3347 -8.94602 11.2487 -9.82716 12.1202 TIMING: 37800 CPU: 118.736, 0.0031166/step Wall: 118.736, 0.0031166/step, 4.29589 hours remaining, 224.726562 MB of memory in use. ENERGY: 37800 4013.4928 20647.6924 14471.3075 242.9725 -203493.4446 2627.3784 0.0000 0.0000 52192.0072 -109298.5938 299.9482 -161490.6010 -108936.6824 299.8686 -3.2711 18.9209 761133.2358 3.0199 2.9216 PRESSURE: 38000 -106.173 -52.6538 -140.209 -52.6537 -257.624 161.757 -140.21 161.756 -135.796 GPRESSURE: 38000 -98.6747 -89.1646 -131.769 110.321 -213.831 147.802 -79.2364 112.989 -100.601 PRESSAVG: 38000 -24.6234 -57.9715 8.24697 -57.9715 54.4635 12.9458 8.24696 12.9458 12.213 GPRESSAVG: 38000 -24.7251 -58.7223 5.77035 -58.2348 53.9895 12.1929 9.62258 13.6767 12.828 TIMING: 38000 CPU: 119.365, 0.00314419/step Wall: 119.365, 0.00314419/step, 4.33375 hours remaining, 224.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 38000 4025.1458 20460.0151 14495.2662 276.9512 -203460.5446 2493.1536 0.0000 0.0000 52241.4860 -109468.5267 300.2325 -161710.0128 -109099.1693 299.5467 -166.5310 -137.7024 762155.8683 14.0177 14.0308 PRESSURE: 38200 112.996 -151.342 63.835 -151.342 -106.51 -146.703 63.8358 -146.702 0.279157 GPRESSURE: 38200 125.397 -94.9562 -23.9642 -156.829 -39.33 -97.776 186.117 -130.151 -5.50134 PRESSAVG: 38200 46.6471 -15.212 5.18555 -15.212 -49.9094 15.4389 5.18552 15.4389 11.8124 GPRESSAVG: 38200 47.1723 -15.4444 3.56853 -14.8585 -50.2116 13.6982 6.92237 15.5771 11.2618 TIMING: 38200 CPU: 119.992, 0.00313252/step Wall: 119.992, 0.00313252/step, 4.31748 hours remaining, 224.726562 MB of memory in use. ENERGY: 38200 4139.8028 20560.8167 14522.1053 254.7946 -203671.4527 2646.4880 0.0000 0.0000 52111.5110 -109435.9343 299.4856 -161547.4453 -109078.3046 299.6312 2.2553 26.8551 760491.3035 2.8501 2.7408 PRESSURE: 38400 -38.0353 -22.8469 -105.286 -22.8465 89.8955 -333.975 -105.287 -333.975 -90.0381 GPRESSURE: 38400 36.0956 -169.183 -150.172 59.2411 69.324 -252.928 -89.8887 -232.22 -56.6155 PRESSAVG: 38400 -36.9776 -23.8702 -21.9121 -23.8702 -3.06939 10.5319 -21.9121 10.5319 -27.7027 GPRESSAVG: 38400 -36.8027 -24.2073 -19.5953 -22.8243 -3.42547 10.8805 -22.6657 9.9155 -27.3943 TIMING: 38400 CPU: 120.616, 0.00312397/step Wall: 120.616, 0.00312397/step, 4.30553 hours remaining, 224.730469 MB of memory in use. ENERGY: 38400 4046.8153 20379.5920 14400.8296 229.1715 -203412.7192 2635.6770 0.0000 0.0000 52081.3891 -109639.2448 299.3125 -161720.6339 -109274.0081 299.2788 -12.7259 16.2680 759667.5989 -22.5832 -22.5408 PRESSURE: 38600 -161.188 226.228 -206.348 226.228 -179.965 65.2657 -206.347 65.266 -261.181 GPRESSURE: 38600 -91.8626 135.702 -161.279 172.972 -160.177 -16.3613 -133.576 94.461 -260.711 PRESSAVG: 38600 -31.7112 -43.6267 -11.7304 -43.6267 74.1717 55.6386 -11.7304 55.6386 5.2738 GPRESSAVG: 38600 -31.3195 -44.0554 -12.1263 -42.8666 74.6729 55.5506 -12.1248 56.2174 4.86069 TIMING: 38600 CPU: 121.242, 0.00312743/step Wall: 121.242, 0.00312743/step, 4.31012 hours remaining, 224.730469 MB of memory in use. ENERGY: 38600 4037.3286 20474.9920 14470.5356 241.3215 -203157.0190 2403.9508 0.0000 0.0000 52050.1713 -109478.7191 299.1330 -161528.8904 -109117.0877 299.0501 -200.7780 -170.9168 760634.1396 15.9114 16.0714 PRESSURE: 38800 -380.783 -50.776 186.443 -50.7763 0.00026545 205.38 186.443 205.38 11.9936 GPRESSURE: 38800 -291.643 -75.294 134.456 -68.5345 45.4957 142.826 252.036 123.034 -23.0613 PRESSAVG: 38800 -29.7487 -12.235 35.0858 -12.235 31.6266 25.3975 35.0858 25.3975 -10.2682 GPRESSAVG: 38800 -30.7033 -9.94908 33.6688 -14.5337 31.7764 26.6724 35.5131 24.2685 -9.60907 TIMING: 38800 CPU: 121.867, 0.00312516/step Wall: 121.867, 0.00312516/step, 4.30682 hours remaining, 224.730469 MB of memory in use. ENERGY: 38800 4055.2652 20465.9209 14473.1374 246.8774 -203291.4045 2592.6235 0.0000 0.0000 52056.5497 -109401.0303 299.1697 -161457.5801 -109048.5089 299.6219 -122.9297 -89.7363 759560.2623 -2.7968 -2.8453 PRESSURE: 39000 -129.464 -129.07 -37.3722 -129.071 33.3785 -54.6784 -37.3706 -54.6789 69.471 GPRESSURE: 39000 -62.0494 -206.959 -90.9912 -139.533 -5.279 -24.5741 -7.89609 39.8621 123.379 PRESSAVG: 39000 -41.7467 -34.6349 -24.6642 -34.6349 -5.39476 -4.71634 -24.6641 -4.71626 17.0122 GPRESSAVG: 39000 -42.2814 -36.3132 -23.3347 -32.917 -3.79165 -4.00916 -23.3672 -3.70379 16.4681 TIMING: 39000 CPU: 122.492, 0.00312317/step Wall: 122.492, 0.00312317/step, 4.30391 hours remaining, 224.730469 MB of memory in use. ENERGY: 39000 4033.5951 20463.9037 14374.0649 245.4028 -202911.4201 2281.2828 0.0000 0.0000 52080.0254 -109433.1455 299.3046 -161513.1708 -109061.4172 299.6686 -8.8714 18.6836 759812.1438 -10.0431 -9.8683 PRESSURE: 39200 41.526 -234.251 83.1565 -234.251 -33.9751 -44.9895 83.1564 -44.9886 -8.90562 GPRESSURE: 39200 28.319 -280.286 27.2257 -253.57 18.203 -92.7803 -28.4472 -133.296 24.6674 PRESSAVG: 39200 -47.0412 -28.3509 -61.3979 -28.3509 59.3981 -40.3994 -61.398 -40.3994 -5.91404 GPRESSAVG: 39200 -46.4381 -27.911 -62.0983 -30.0876 58.3153 -41.522 -61.7986 -41.7611 -5.27874 TIMING: 39200 CPU: 123.115, 0.00311727/step Wall: 123.115, 0.00311727/step, 4.2956 hours remaining, 224.730469 MB of memory in use. ENERGY: 39200 3948.7736 20506.9452 14383.5754 239.1537 -203426.3346 2515.7199 0.0000 0.0000 52308.3425 -109523.8243 300.6168 -161832.1667 -109155.7789 299.4517 -0.4516 23.7298 759168.0044 2.1476 2.1995 PRESSURE: 39400 -182.424 72.4476 22.5496 72.448 -64.989 102.458 22.5491 102.458 141.423 GPRESSURE: 39400 -125.618 43.0364 9.80632 23.6468 -28.9349 128.435 89.0572 82.2816 126.777 PRESSAVG: 39400 -21.5985 -11.6283 -69.2624 -11.6283 19.3181 -45.3012 -69.2624 -45.3012 2.36364 GPRESSAVG: 39400 -21.7 -11.6975 -68.8729 -12.5235 19.3783 -43.8563 -71.8147 -43.2307 1.88998 TIMING: 39400 CPU: 123.741, 0.0031324/step Wall: 123.741, 0.0031324/step, 4.31627 hours remaining, 224.730469 MB of memory in use. ENERGY: 39400 3971.5916 20391.1173 14353.9231 246.2615 -203476.2602 2648.3593 0.0000 0.0000 52082.0799 -109782.9275 299.3164 -161865.0074 -109417.9687 299.5261 -35.3297 -9.2589 761945.3471 0.0277 -0.1439 PRESSURE: 39600 -237.175 -91.315 -50.8005 -91.3148 -264.706 -116.293 -50.801 -116.293 102.731 GPRESSURE: 39600 -218.864 29.9953 -32.2838 -63.1136 -239.252 -111.892 -36.0568 -110.699 143.031 PRESSAVG: 39600 20.8638 46.5481 19.5356 46.5481 -7.1534 8.50938 19.5357 8.50928 -21.406 GPRESSAVG: 39600 20.7587 45.5595 20.0766 49.9424 -7.55739 7.54293 21.4914 6.77663 -20.5778 TIMING: 39600 CPU: 124.366, 0.00312301/step Wall: 124.366, 0.00312301/step, 4.30316 hours remaining, 224.730469 MB of memory in use. ENERGY: 39600 3970.4012 20566.2479 14407.5570 261.0527 -203453.2354 2401.6434 0.0000 0.0000 51976.5771 -109869.7561 298.7101 -161846.3331 -109507.1567 298.7356 -133.0498 -105.0283 760096.0729 -2.5652 -2.4588 PRESSURE: 39800 -241.145 25.3253 -8.74196 25.3246 -187.964 -65.8808 -8.74242 -65.88 -351.997 GPRESSURE: 39800 -181.052 -6.85888 97.7536 -31.5168 -149.946 -91.7147 -156.517 -127.656 -367.579 PRESSAVG: 39800 -28.7205 -11.8223 3.36897 -11.8223 14.5683 -3.5588 3.36892 -3.55885 11.214 GPRESSAVG: 39800 -26.2942 -9.72254 5.29273 -14.8796 12.9991 -3.3909 0.272094 -2.00041 11.2883 TIMING: 39800 CPU: 124.992, 0.00312891/step Wall: 124.992, 0.00312891/step, 4.31111 hours remaining, 224.730469 MB of memory in use. ENERGY: 39800 4024.8889 20390.7339 14411.7109 254.2956 -203438.8572 2554.8029 0.0000 0.0000 52118.1107 -109684.3143 299.5235 -161802.4250 -109314.2236 298.7727 -260.3686 -232.8592 761217.3726 -0.9794 -0.6689 PRESSURE: 40000 -32.6655 -2.94327 -289.32 -2.94273 -260.889 -303.038 -289.319 -303.039 111.983 GPRESSURE: 40000 -115.588 78.4051 -250.375 82.763 -275.248 -300.774 -254.429 -304.209 293.234 PRESSAVG: 40000 -66.0502 33.9901 39.0044 33.9901 70.8179 16.1461 39.0044 16.1461 1.44312 GPRESSAVG: 40000 -68.2413 35.1525 38.0452 34.6344 72.5604 15.2159 40.2573 14.6433 1.83527 TIMING: 40000 CPU: 125.617, 0.00312773/step Wall: 125.617, 0.00312773/step, 4.30932 hours remaining, 224.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 40000 3992.9918 20470.7304 14453.3288 218.8325 -203898.4480 2856.2095 0.0000 0.0000 52089.3803 -109816.9746 299.3584 -161906.3549 -109457.9904 299.1412 -60.5241 -32.5340 760348.5205 2.0703 2.0515 PRESSURE: 40200 22.2986 169.852 52.6204 169.852 -164.88 80.5848 52.6202 80.5847 64.5893 GPRESSURE: 40200 55.9013 127.506 40.7257 104.024 -78.7597 52.8061 -83.8945 13.8293 44.2628 PRESSAVG: 40200 45.8876 11.87 24.7076 11.87 -15.8772 3.96885 24.7076 3.96886 19.5879 GPRESSAVG: 40200 45.1134 10.9003 21.893 10.2623 -14.0384 4.5249 25.3521 5.26598 18.6614 TIMING: 40200 CPU: 126.245, 0.00313631/step Wall: 126.245, 0.00313631/step, 4.32097 hours remaining, 224.808594 MB of memory in use. ENERGY: 40200 3962.3641 20501.2452 14354.5412 238.4860 -203699.8605 2503.5046 0.0000 0.0000 52540.0935 -109599.6259 301.9486 -162139.7194 -109229.5922 298.8456 -25.9974 7.1348 760527.8976 16.5328 16.5788 LDB: ============= START OF LOAD BALANCING ============== 138.641 LDB: ============== END OF LOAD BALANCING =============== 138.641 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 138.643 LDB: ============= START OF LOAD BALANCING ============== 138.957 LDB: Largest compute 7045 load 0.031916 is 16.3% of average load 0.195266 LDB: Average compute 0.004360 is 2.2% of average load 0.195266 LDB: TIME 138.961 LOAD: AVG 0.195266 MAX 0.22001 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 223.73 MB LDB: TIME 138.961 LOAD: AVG 0.195266 MAX 0.22001 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.73 MB LDB: TIME 138.961 LOAD: AVG 0.195266 MAX 0.22001 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.73 MB LDB: ============== END OF LOAD BALANCING =============== 138.963 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 138.968 PRESSURE: 40400 -241.886 283.022 -59.9877 283.021 -189.845 184.454 -59.9872 184.456 -283.928 GPRESSURE: 40400 -190.628 180.912 -98.0528 352.732 -163.596 156.236 -48.4653 164.874 -260.679 PRESSAVG: 40400 25.0827 0.727031 41.9031 0.727017 -8.47612 -14.0022 41.9031 -14.0023 23.1475 GPRESSAVG: 40400 26.1683 -0.594333 44.5558 -0.395024 -10.812 -15.148 40.6601 -15.5606 24.6384 TIMING: 40400 CPU: 126.885, 0.0032025/step Wall: 126.885, 0.0032025/step, 4.41197 hours remaining, 224.500000 MB of memory in use. ENERGY: 40400 3980.5958 20679.9127 14460.3553 227.1103 -203261.5713 2449.3819 0.0000 0.0000 51904.2542 -109559.9610 298.2945 -161464.2153 -109200.4999 299.1102 -238.5529 -204.9676 762159.0242 13.2514 13.3316 PRESSURE: 40600 28.3683 146.133 166.096 146.133 191.78 -130.681 166.098 -130.681 307.298 GPRESSURE: 40600 93.4374 212.407 258.18 192.064 228.15 -41.0376 186.799 -124.808 278.777 PRESSAVG: 40600 -33.4005 -19.4832 42.6843 -19.4831 5.94193 9.54315 42.6843 9.5432 -27.4913 GPRESSAVG: 40600 -33.0917 -19.093 43.0915 -15.0109 6.42342 10.9814 43.9936 8.18926 -28.5715 TIMING: 40600 CPU: 127.511, 0.00312924/step Wall: 127.511, 0.00312924/step, 4.31088 hours remaining, 224.738281 MB of memory in use. ENERGY: 40600 3906.2732 20529.5784 14465.9926 221.9091 -203579.4476 2588.0250 0.0000 0.0000 52140.3601 -109727.3092 299.6514 -161867.6693 -109351.6574 298.9602 175.8152 200.1215 760869.7531 -18.3166 -18.4132 PRESSURE: 40800 -174.655 83.9864 99.568 83.9864 -10.745 -77.6374 99.5682 -77.6376 235.079 GPRESSURE: 40800 -153.314 95.9551 5.98933 -28.2082 61.6317 -62.7924 -41.784 -142.646 221.708 PRESSAVG: 40800 -38.5912 70.8244 -1.22314 70.8243 5.49835 -29.9882 -1.22315 -29.9882 29.6173 GPRESSAVG: 40800 -38.8765 70.9475 -3.39913 70.188 5.46496 -29.4783 -1.80008 -28.0146 30.0229 TIMING: 40800 CPU: 128.137, 0.00312957/step Wall: 128.137, 0.00312957/step, 4.31115 hours remaining, 224.738281 MB of memory in use. ENERGY: 40800 3978.5000 20526.4129 14392.0377 257.7592 -203658.0943 2757.8803 0.0000 0.0000 52021.8657 -109723.6384 298.9704 -161745.5040 -109355.2230 298.3125 16.5597 43.3418 762296.5969 -1.1585 -1.1295 PRESSURE: 41000 -309.133 -98.9321 -385.09 -98.9323 37.242 -90.9546 -385.089 -90.9554 190.865 GPRESSURE: 41000 -266.722 -4.60725 -386.9 -132.126 53.6608 -176.753 -108.494 -7.37271 222.372 PRESSAVG: 41000 -57.5153 20.838 -3.11855 20.838 57.163 -27.5003 -3.11855 -27.5003 -4.01163 GPRESSAVG: 41000 -57.9372 22.5401 -3.6722 18.0303 58.3914 -26.2428 -1.58264 -28.1515 -4.44757 TIMING: 41000 CPU: 128.762, 0.0031258/step Wall: 128.762, 0.0031258/step, 4.30578 hours remaining, 224.738281 MB of memory in use. ENERGY: 41000 3976.9101 20684.7529 14421.7966 225.9178 -203306.4621 2631.1745 0.0000 0.0000 51824.2517 -109541.6586 297.8347 -161365.9102 -109182.0569 298.7846 -27.0086 3.1037 762512.5333 -1.4547 -1.3311 PRESSURE: 41200 -410.314 70.3129 36.3549 70.313 -518.989 302.828 36.3551 302.827 382.73 GPRESSURE: 41200 -317.61 19.9158 -13.905 110.587 -531.728 312.811 85.5908 109.605 388.157 PRESSAVG: 41200 -2.26639 7.94248 -32.9282 7.94254 35.558 7.19482 -32.9281 7.19478 10.8714 GPRESSAVG: 41200 -0.925762 5.17074 -31.5369 9.60671 34.9427 4.57482 -33.5199 6.84464 10.43 TIMING: 41200 CPU: 129.388, 0.00313075/step Wall: 129.388, 0.00313075/step, 4.31243 hours remaining, 224.738281 MB of memory in use. ENERGY: 41200 4020.4503 20408.1289 14428.5732 247.7091 -203153.9463 2463.7085 0.0000 0.0000 52017.1586 -109568.2179 298.9433 -161585.3764 -109204.6830 299.3371 -182.1906 -153.7270 761277.8587 14.7210 14.8157 PRESSURE: 41400 -156.722 -140.383 97.5714 -140.382 -152.263 -132.896 97.5713 -132.897 51.2333 GPRESSURE: 41400 -56.2891 -111.589 66.8101 -63.0283 -186.327 -259.326 164.698 -198.181 73.5708 PRESSAVG: 41400 -50.4368 1.72973 -14.7463 1.72978 -2.70547 -12.6116 -14.7463 -12.6116 13.7867 GPRESSAVG: 41400 -50.5888 3.44696 -15.0186 2.2849 -1.90908 -11.6702 -14.3956 -12.0792 12.8559 TIMING: 41400 CPU: 130.014, 0.00312737/step Wall: 130.014, 0.00312737/step, 4.3076 hours remaining, 224.738281 MB of memory in use. ENERGY: 41400 3985.9541 20398.8219 14459.1868 254.4618 -203440.8971 2534.2887 0.0000 0.0000 52204.9989 -109603.1848 300.0228 -161808.1837 -109231.7687 299.2158 -85.9173 -56.3484 761436.0249 -13.1185 -13.2140 PRESSURE: 41600 209.121 -15.6552 269.186 -15.6542 -83.6276 -51.6343 269.186 -51.6346 -25.23 GPRESSURE: 41600 233.028 -80.7689 242.039 -61.2657 -132.307 -40.9731 159.191 -110.193 86.9583 PRESSAVG: 41600 12.2889 27.378 -47.0846 27.3779 2.38036 -2.29011 -47.0845 -2.29011 7.79969 GPRESSAVG: 41600 11.489 26.0812 -47.5251 26.2915 0.15679 -2.17451 -48.8617 -2.33453 10.5228 TIMING: 41600 CPU: 130.638, 0.00312153/step Wall: 130.638, 0.00312153/step, 4.29938 hours remaining, 224.738281 MB of memory in use. ENERGY: 41600 4025.7344 20559.8193 14475.4764 228.4356 -203753.6273 2724.0199 0.0000 0.0000 52168.8046 -109571.3370 299.8148 -161740.1416 -109218.7509 299.5066 33.4211 62.5595 759847.4488 7.4897 7.3895 PRESSURE: 41800 39.8073 50.2686 -85.7958 50.2682 96.8251 -62.9284 -85.7967 -62.9284 -221.48 GPRESSURE: 41800 32.2422 99.308 -192.286 51.8542 152.82 -37.5105 -73.0461 -10.5031 -192.962 PRESSAVG: 41800 22.1084 -10.7793 13.2678 -10.7793 -2.11179 -22.0885 13.2678 -22.0885 10.5794 GPRESSAVG: 41800 22.1636 -10.9706 12.465 -9.06354 -1.1872 -19.2674 14.6356 -21.8604 9.08278 TIMING: 41800 CPU: 131.263, 0.00312494/step Wall: 131.263, 0.00312494/step, 4.30391 hours remaining, 224.738281 MB of memory in use. ENERGY: 41800 3981.5742 20595.1382 14444.0187 263.7025 -203695.1693 2622.0000 0.0000 0.0000 51915.9436 -109872.7921 298.3616 -161788.7358 -109519.7038 299.0348 -28.2827 -2.6332 758872.6187 10.1920 10.0197 PRESSURE: 42000 -258.75 -342.845 -232.622 -342.844 -100.162 328.318 -232.621 328.318 -101.107 GPRESSURE: 42000 -207.148 -287.822 -215.839 -280.057 -11.8325 303.987 -84.3946 235.545 -163.739 PRESSAVG: 42000 22.9633 -9.71836 34.9623 -9.71827 -21.6795 -36.105 34.9623 -36.105 -11.1011 GPRESSAVG: 42000 23.7524 -7.44665 35.4825 -12.2818 -22.2331 -38.0532 36.8107 -34.6343 -11.731 TIMING: 42000 CPU: 131.888, 0.00312538/step Wall: 131.888, 0.00312538/step, 4.30434 hours remaining, 224.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 42000 3977.3619 20484.8176 14449.4652 244.7910 -203706.0834 2661.7353 0.0000 0.0000 52076.0035 -109811.9088 299.2815 -161887.9123 -109432.1890 299.0199 -153.3398 -127.5731 759364.4386 -3.2724 -3.4039 PRESSURE: 42200 -300.866 -67.2039 -159.568 -67.203 155.603 233.97 -159.568 233.97 -30.5662 GPRESSURE: 42200 -210.996 37.2513 -143.632 84.3769 170.514 200.186 -224.999 264.686 -52.8866 PRESSAVG: 42200 58.5079 19.4341 -15.3104 19.4341 -9.0086 18.5115 -15.3105 18.5115 30.4844 GPRESSAVG: 42200 57.7109 17.7549 -14.5318 21.8098 -8.07169 18.8055 -17.0495 17.0292 30.8044 TIMING: 42200 CPU: 132.516, 0.00313812/step Wall: 132.516, 0.00313812/step, 4.32172 hours remaining, 224.738281 MB of memory in use. ENERGY: 42200 3967.4650 20635.3883 14546.2064 255.4082 -203639.9531 2713.1915 0.0000 0.0000 51755.3893 -109766.9043 297.4389 -161522.2936 -109406.8838 299.0463 -58.6096 -31.1231 758677.8473 26.6612 26.8145 PRESSURE: 42400 -411.099 -65.4354 -134.27 -65.4363 -121.411 -4.24595 -134.27 -4.24554 -102.349 GPRESSURE: 42400 -255.34 -36.2217 -40.8753 -50.5367 -186.902 -52.5626 -137.458 33.9355 -110.235 PRESSAVG: 42400 5.64658 -22.4495 -23.697 -22.4495 -17.0546 -31.3807 -23.697 -31.3806 -0.936401 GPRESSAVG: 42400 4.36524 -20.5213 -22.4551 -22.7912 -16.2944 -31.4606 -25.5194 -31.4008 -0.282328 TIMING: 42400 CPU: 133.142, 0.00313255/step Wall: 133.142, 0.00313254/step, 4.31386 hours remaining, 224.738281 MB of memory in use. ENERGY: 42400 4072.3159 20418.6216 14471.1293 274.5740 -203419.1020 2273.3424 0.0000 0.0000 52124.7986 -109784.3201 299.5619 -161909.1187 -109433.3239 298.7398 -211.6196 -184.1592 760925.6276 -4.1148 -4.0705 PRESSURE: 42600 -454.412 335.615 -4.62245 335.615 -362.321 -2.7659 -4.622 -2.76615 -385.036 GPRESSURE: 42600 -387.27 251.997 -26.4613 320.151 -340.132 7.18087 133.574 -29.7062 -407.894 PRESSAVG: 42600 9.51026 -43.231 0.494161 -43.2309 -14.6945 -32.9953 0.494238 -32.9953 -7.08645 GPRESSAVG: 42600 11.2406 -45.229 1.17417 -44.0823 -16.3438 -33.4111 1.74632 -33.146 -7.45474 TIMING: 42600 CPU: 133.765, 0.00311633/step Wall: 133.765, 0.00311633/step, 4.29136 hours remaining, 224.738281 MB of memory in use. ENERGY: 42600 4074.3830 20488.1778 14436.6291 235.7418 -203816.4611 2703.2227 0.0000 0.0000 52097.2004 -109781.1064 299.4033 -161878.3068 -109413.2768 298.7441 -400.5897 -378.4321 762432.9543 -4.0902 -4.1860 PRESSURE: 42800 295.372 -18.2304 -135.374 -18.2298 -153.012 -95.819 -135.373 -95.818 25.6109 GPRESSURE: 42800 309.138 63.3432 -164.485 -37.563 -163.376 -97.9202 -216.226 -195.033 74.5211 PRESSAVG: 42800 72.4983 57.4591 -7.06292 57.4592 21.5657 7.91583 -7.06291 7.91579 -1.69449 GPRESSAVG: 42800 72.5041 57.3808 -8.95997 58.9096 21.8159 7.70324 -8.11065 7.93866 -1.81679 TIMING: 42800 CPU: 134.391, 0.00312633/step Wall: 134.391, 0.00312634/step, 4.30496 hours remaining, 224.738281 MB of memory in use. ENERGY: 42800 4038.4066 20638.1758 14425.2796 240.7450 -203710.0642 2602.8663 0.0000 0.0000 51734.4832 -110030.1079 297.3188 -161764.5910 -109674.8866 298.8281 55.9904 73.4277 760702.2298 30.7898 30.8344 PRESSURE: 43000 145.924 28.6471 -11.2471 28.647 -387.331 -29.3286 -11.2471 -29.328 44.8894 GPRESSURE: 43000 175.626 20.3114 6.75127 64.974 -302.128 -20.7704 20.4898 25.2695 17.142 PRESSAVG: 43000 3.23743 -19.396 3.66813 -19.396 -52.1451 -32.0232 3.66815 -32.0232 1.44464 GPRESSAVG: 43000 2.23718 -18.1075 3.46632 -20.3671 -52.5144 -33.8604 5.14819 -29.9967 2.06194 TIMING: 43000 CPU: 135.017, 0.00312918/step Wall: 135.017, 0.00312918/step, 4.30871 hours remaining, 224.738281 MB of memory in use. ENERGY: 43000 4025.9182 20613.6131 14403.7998 222.6653 -204087.5575 2786.0268 0.0000 0.0000 52119.9323 -109915.6019 299.5340 -162035.5343 -109566.0515 298.4184 -65.5057 -36.4532 760539.7339 -15.8210 -16.0718 PRESSURE: 43200 -135.986 -23.4534 -43.2363 -23.4534 -72.6909 -33.9227 -43.2364 -33.9235 -492.515 GPRESSURE: 43200 -196.783 -185.898 -23.6023 -7.13846 8.82269 -0.241931 -19.9114 -68.0321 -418.741 PRESSAVG: 43200 23.6779 -12.1328 -13.7704 -12.1327 -10.7878 12.1425 -13.7704 12.1426 3.10324 GPRESSAVG: 43200 24.4657 -15.191 -13.3382 -11.2554 -10.538 12.9186 -13.5856 9.93845 3.01884 TIMING: 43200 CPU: 135.646, 0.0031489/step Wall: 135.646, 0.0031489/step, 4.33569 hours remaining, 224.738281 MB of memory in use. ENERGY: 43200 3917.5906 20615.7912 14470.2508 246.2236 -203724.2888 2658.1546 0.0000 0.0000 52075.2044 -109741.0736 299.2769 -161816.2780 -109375.4961 299.0160 -233.7305 -202.2337 758905.1128 5.3311 5.6489 PRESSURE: 43400 -115.616 86.0029 -119.84 86.0032 116.696 151.18 -119.839 151.18 -163.813 GPRESSURE: 43400 -29.9756 129.728 -34.3081 67.0425 66.4062 150.946 -199.834 68.6137 -134.815 PRESSAVG: 43400 78.712 -4.79134 46.6616 -4.79135 -82.2054 11.6623 46.6616 11.6622 -25.1536 GPRESSAVG: 43400 78.4791 -2.68668 47.6364 -5.38321 -81.7892 11.549 44.6732 12.7917 -25.4195 TIMING: 43400 CPU: 136.274, 0.00313785/step Wall: 136.274, 0.00313785/step, 4.32029 hours remaining, 224.738281 MB of memory in use. ENERGY: 43400 3929.6955 20693.9253 14483.9175 258.1317 -203447.0283 2428.2662 0.0000 0.0000 52126.1736 -109526.9184 299.5698 -161653.0920 -109165.7264 299.1427 -54.2444 -32.7947 760143.0669 -9.5490 -9.5765 PRESSURE: 43600 -187.241 133.79 192.287 133.79 -92.1339 195.682 192.287 195.682 103.778 GPRESSURE: 43600 -136.949 196.762 217.486 137.369 -41.4046 178.439 128.444 71.5523 59.7407 PRESSAVG: 43600 26.7807 -52.4772 7.04835 -52.4772 47.3441 45.9904 7.04837 45.9903 14.4924 GPRESSAVG: 43600 26.5236 -53.5689 6.89349 -52.7908 47.3849 44.7933 7.17237 45.8376 14.4561 TIMING: 43600 CPU: 136.9, 0.00313053/step Wall: 136.9, 0.00313053/step, 4.31005 hours remaining, 224.738281 MB of memory in use. ENERGY: 43600 3962.5863 20618.6868 14474.5920 256.9630 -203484.9120 2383.9087 0.0000 0.0000 52199.8762 -109588.2989 299.9934 -161788.1752 -109220.0041 299.7655 -58.5322 -39.5376 759480.5154 29.5391 29.4548 PRESSURE: 43800 -31.3416 193.76 -47.8416 193.761 53.3748 291.553 -47.8416 291.554 -128.992 GPRESSURE: 43800 -134.176 102.621 -8.34589 27.691 230.814 341.316 -158.789 376.781 -112.851 PRESSAVG: 43800 58.8424 -15.25 -47.252 -15.25 -63.7374 -6.88753 -47.2521 -6.88754 9.13313 GPRESSAVG: 43800 58.7662 -16.27 -47.7953 -14.3557 -62.7977 -7.37709 -46.7515 -7.83829 8.44758 TIMING: 43800 CPU: 137.527, 0.00313597/step Wall: 137.527, 0.00313597/step, 4.31736 hours remaining, 224.738281 MB of memory in use. ENERGY: 43800 3971.0206 20579.2395 14507.5469 247.2904 -203641.9032 2720.1370 0.0000 0.0000 51909.5148 -109707.1541 298.3247 -161616.6689 -109341.5715 299.2700 -35.6528 -5.4044 759533.7947 1.4127 1.4720 PRESSURE: 44000 267.875 -104.3 178.611 -104.3 -4.06418 28.822 178.611 28.8223 -263.723 GPRESSURE: 44000 288.343 -57.9007 221.417 -146.069 11.6674 23.9357 67.3346 54.9257 -202.523 PRESSAVG: 44000 33.4524 -18.8409 33.1961 -18.841 -57.1882 -16.0867 33.1961 -16.0867 4.07606 GPRESSAVG: 44000 34.0918 -19.0119 32.5054 -20.006 -57.7393 -13.8207 34.0508 -14.8839 4.56182 TIMING: 44000 CPU: 138.155, 0.00314066/step Wall: 138.155, 0.00314066/step, 4.32365 hours remaining, 224.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 44000 3985.7167 20767.8194 14444.4562 249.1850 -203549.7467 2630.9361 0.0000 0.0000 52045.0556 -109426.5778 299.1036 -161471.6334 -109070.4032 299.4539 0.0292 32.4958 760135.4804 -6.5532 -6.3619 PRESSURE: 44200 -43.4559 7.30221 193.154 7.30183 -74.2441 94.3037 193.154 94.3042 -244.212 GPRESSURE: 44200 -57.9638 -35.116 249.243 1.80633 -6.03844 72.255 36.1368 6.79878 -218.957 PRESSAVG: 44200 0.646152 -29.2341 28.1783 -29.2342 -21.7607 26.8545 28.1783 26.8545 -2.01149 GPRESSAVG: 44200 1.3724 -27.1567 28.7157 -29.3325 -21.1428 26.3291 26.3945 27.8325 -3.81905 TIMING: 44200 CPU: 138.785, 0.00314678/step Wall: 138.785, 0.00314678/step, 4.33189 hours remaining, 224.738281 MB of memory in use. ENERGY: 44200 3974.5896 20586.8643 14504.6001 238.2428 -203357.1139 2329.3590 0.0000 0.0000 52168.4435 -109555.0146 299.8128 -161723.4581 -109190.9285 299.4947 -120.6374 -94.3199 759321.9214 -7.7087 -7.8632 LDB: ============= START OF LOAD BALANCING ============== 151.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 151.18 LDB: =============== DONE WITH MIGRATION ================ 151.181 LDB: ============= START OF LOAD BALANCING ============== 151.494 LDB: Largest compute 7057 load 0.030927 is 15.8% of average load 0.195253 LDB: Average compute 0.004345 is 2.2% of average load 0.195253 LDB: TIME 151.497 LOAD: AVG 0.195253 MAX 0.21562 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.133 MB LDB: TIME 151.498 LOAD: AVG 0.195253 MAX 0.21562 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.207 MB LDB: TIME 151.498 LOAD: AVG 0.195253 MAX 0.21562 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.207 MB LDB: ============== END OF LOAD BALANCING =============== 151.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 151.505 PRESSURE: 44400 -332.965 155.692 -231.559 155.692 -56.1142 130.226 -231.559 130.227 -4.3597 GPRESSURE: 44400 -174.003 40.6805 -244.458 165.459 -126.858 118.919 -133.131 113.904 -18.5828 PRESSAVG: 44400 -12.8408 6.50792 -25.497 6.50798 12.3482 24.9737 -25.497 24.9737 -13.8833 GPRESSAVG: 44400 -13.6096 3.59541 -25.3575 9.31171 11.5968 25.792 -23.1607 19.754 -11.8249 TIMING: 44400 CPU: 139.422, 0.00318598/step Wall: 139.422, 0.00318598/step, 4.38568 hours remaining, 223.785156 MB of memory in use. ENERGY: 44400 4057.9637 20504.4661 14407.8956 242.5918 -203310.5742 2485.8928 0.0000 0.0000 51814.4514 -109797.3127 297.7784 -161611.7641 -109430.3033 299.2919 -131.1463 -106.4813 759166.0801 -4.7919 -4.6126 PRESSURE: 44600 -137.335 -70.8102 44.2419 -70.8112 358.214 -122.033 44.2419 -122.033 -361.905 GPRESSURE: 44600 -105.656 -60.6761 125.059 -29.3257 308.106 -27.9132 -105.093 -51.7285 -279.351 PRESSAVG: 44600 -7.27187 -9.40046 16.4624 -9.40043 13.3054 14.4214 16.4624 14.4213 30.169 GPRESSAVG: 44600 -6.82923 -7.89518 15.725 -11.2133 12.5189 13.6235 16.5045 17.9347 30.0815 TIMING: 44600 CPU: 140.048, 0.0031296/step Wall: 140.048, 0.0031296/step, 4.3079 hours remaining, 223.785156 MB of memory in use. ENERGY: 44600 4011.1910 20652.5796 14448.8870 232.8918 -203703.5379 2712.8551 0.0000 0.0000 51828.4963 -109816.6371 297.8591 -161645.1334 -109462.0712 299.0373 -47.0085 -25.6338 758529.8931 12.0675 11.9237 PRESSURE: 44800 177.459 -104.593 -34.5026 -104.593 119.645 28.2938 -34.5031 28.293 -183.157 GPRESSURE: 44800 176.192 -47.5768 -69.7154 -197.365 114.13 76.1842 68.178 66.967 -99.0544 PRESSAVG: 44800 -39.4422 21.0438 4.65579 21.0438 40.8981 44.0335 4.65583 44.0335 8.41661 GPRESSAVG: 44800 -40.473 19.7832 4.90962 21.3922 42.3622 43.3925 4.2792 44.9367 8.19223 TIMING: 44800 CPU: 140.673, 0.0031251/step Wall: 140.673, 0.0031251/step, 4.30152 hours remaining, 223.820312 MB of memory in use. ENERGY: 44800 3953.4375 20367.0819 14470.0018 265.6922 -203583.9384 2732.6769 0.0000 0.0000 52063.8195 -109731.2286 299.2115 -161795.0481 -109366.7081 298.6590 37.9823 63.7559 761126.8608 3.2909 3.3605 PRESSURE: 45000 -226.697 -145.891 150.94 -145.889 -61.6452 100.518 150.94 100.518 199.27 GPRESSURE: 45000 -142.126 -62.2994 112.931 -109.107 -73.8571 47.0685 135.919 155.87 192.387 PRESSAVG: 45000 -20.2762 -21.7758 -22.3363 -21.7758 1.85729 -49.8317 -22.3363 -49.8317 -22.3922 GPRESSAVG: 45000 -19.6417 -22.0142 -23.6151 -22.3082 1.30977 -50.3701 -20.9928 -50.6529 -23.4679 TIMING: 45000 CPU: 141.299, 0.00313185/step Wall: 141.299, 0.00313185/step, 4.31064 hours remaining, 223.820312 MB of memory in use. ENERGY: 45000 4024.1641 20502.0912 14481.1605 250.4196 -203630.6353 2630.9316 0.0000 0.0000 52121.2051 -109620.6632 299.5413 -161741.8683 -109252.9947 298.9359 -29.6909 -7.8655 760431.7102 -13.6037 -13.9333 PRESSURE: 45200 -51.5576 173.927 -245.027 173.927 -534.066 -78.1908 -245.028 -78.191 -371.752 GPRESSURE: 45200 -114.428 121.201 -189.572 111.898 -419.696 -189.747 -189.026 -99.8043 -320.429 PRESSAVG: 45200 -31.13 -34.6024 -8.29188 -34.6025 37.4657 -37.1052 -8.29189 -37.1052 2.78059 GPRESSAVG: 45200 -31.8958 -33.7458 -7.00822 -33.5068 37.3066 -36.9766 -9.66405 -37.2541 3.52788 TIMING: 45200 CPU: 141.923, 0.00311697/step Wall: 141.923, 0.00311697/step, 4.28999 hours remaining, 223.820312 MB of memory in use. ENERGY: 45200 4115.1459 20410.1946 14416.0813 258.9798 -203376.0024 2655.8476 0.0000 0.0000 52141.7182 -109378.0351 299.6592 -161519.7533 -109024.2421 300.1463 -319.1253 -284.8511 762104.4102 3.0387 2.9796 PRESSURE: 45400 279.533 -42.3736 322.734 -42.3743 -1.89775 -55.6378 322.733 -55.638 -202.552 GPRESSURE: 45400 282.73 -23.0423 259.749 70.6954 25.1286 -51.9577 184.737 156.75 -139.141 PRESSAVG: 45400 -43.5605 -15.7719 -45.1582 -15.7719 38.5093 -28.3594 -45.1582 -28.3594 -4.85379 GPRESSAVG: 45400 -42.7487 -13.8734 -45.6296 -18.3151 37.4557 -26.9585 -47.0547 -28.0106 -4.83977 TIMING: 45400 CPU: 142.546, 0.00311933/step Wall: 142.546, 0.00311933/step, 4.29306 hours remaining, 223.820312 MB of memory in use. ENERGY: 45400 3914.2176 20580.2078 14446.3609 250.7319 -203536.1948 2622.5517 0.0000 0.0000 52292.5749 -109429.5500 300.5261 -161722.1249 -109073.4666 299.8136 25.0280 56.2393 758803.8804 -3.3017 -3.3776 PRESSURE: 45600 322.234 -14.5756 92.6027 -14.5752 -118.565 143.361 92.6026 143.36 115.618 GPRESSURE: 45600 365.16 -2.00171 147.211 23.039 -83.3782 174.522 75.1056 48.9855 115.151 PRESSAVG: 45600 -11.0136 -66.4568 33.786 -66.4568 18.7386 -34.23 33.786 -34.23 8.43687 GPRESSAVG: 45600 -10.1512 -69.0644 34.9788 -63.0127 18.431 -34.3618 36.3175 -34.6399 7.71638 TIMING: 45600 CPU: 143.171, 0.00312222/step Wall: 143.171, 0.00312222/step, 4.29687 hours remaining, 223.820312 MB of memory in use. ENERGY: 45600 4023.8142 20567.0339 14384.3220 257.6998 -203171.2313 2524.3110 0.0000 0.0000 52007.7698 -109406.2805 298.8894 -161414.0503 -109034.8118 299.5813 106.4288 132.3111 761652.8531 5.3873 5.3321 PRESSURE: 45800 -41.5734 -27.9867 -196.496 -27.9864 -4.40174 -25.0207 -196.496 -25.0216 -52.612 GPRESSURE: 45800 -89.8658 -89.9094 -139.942 100.11 65.3509 -32.0382 -155.71 -185.645 -8.64307 PRESSAVG: 45800 -13.0425 -25.4145 -73.5097 -25.4146 22.6935 -13.6702 -73.5097 -13.6703 -5.45643 GPRESSAVG: 45800 -13.9721 -24.5222 -73.6796 -26.7198 23.2231 -13.1156 -75.0216 -16.3953 -5.06681 TIMING: 45800 CPU: 143.796, 0.00312702/step Wall: 143.796, 0.00312702/step, 4.30329 hours remaining, 223.820312 MB of memory in use. ENERGY: 45800 4029.0832 20563.2364 14501.9365 274.8723 -203126.8233 2410.3106 0.0000 0.0000 51939.0840 -109408.3003 298.4946 -161347.3843 -109056.0573 299.2350 -32.8624 -11.0527 759779.5889 1.3982 1.3947 PRESSURE: 46000 -202.359 -346.903 -17.2013 -346.901 -152.041 122.183 -17.2006 122.183 -25.8631 GPRESSURE: 46000 -216.152 -260.962 32.7661 -366.009 -126.58 33.2928 107.893 -34.9415 37.7694 PRESSAVG: 46000 -42.7379 -19.9333 34.2939 -19.9333 23.0083 -24.1074 34.2939 -24.1074 -8.11228 GPRESSAVG: 46000 -44.0927 -19.2248 33.4271 -19.9898 23.3165 -26.8638 35.3576 -20.371 -7.46168 TIMING: 46000 CPU: 144.428, 0.00315678/step Wall: 144.428, 0.00315678/step, 4.34408 hours remaining, 223.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 46000 3924.2390 20424.3192 14446.5331 257.1510 -202947.8067 2381.9755 0.0000 0.0000 52100.6769 -109412.9120 299.4233 -161513.5889 -109049.3364 299.4754 -126.7542 -101.6542 761034.0193 -9.2806 -9.4126 PRESSURE: 46200 -49.1204 -98.1003 -110.059 -98.1001 345.106 23.7515 -110.058 23.7516 133.888 GPRESSURE: 46200 83.6666 -41.3319 -122.109 -76.2763 343.476 -17.4022 -167.124 -63.6077 96.5103 PRESSAVG: 46200 -36.1448 -37.7177 6.82031 -37.7176 6.12319 40.2695 6.82032 40.2695 24.3889 GPRESSAVG: 46200 -34.829 -37.6791 6.42721 -39.0049 4.39429 42.7447 6.44775 37.2794 24.321 TIMING: 46200 CPU: 145.053, 0.00312467/step Wall: 145.053, 0.00312467/step, 4.29972 hours remaining, 223.820312 MB of memory in use. ENERGY: 46200 3865.3452 20411.0205 14515.7717 251.7762 -203235.3234 2586.3607 0.0000 0.0000 52318.1661 -109286.8830 300.6732 -161605.0491 -108921.2635 299.1606 143.2910 174.5508 758816.7925 -1.8775 -2.0379 PRESSURE: 46400 -117.2 -119.535 -93.1575 -119.535 -265.906 -42.0157 -93.1577 -42.0161 -235.156 GPRESSURE: 46400 -45.2395 -89.9804 -93.3151 -31.4329 -294.872 15.3576 -32.8168 -123.469 -191.621 PRESSAVG: 46400 -104.664 -82.2515 4.61709 -82.2515 107.722 -24.8171 4.61713 -24.817 -3.1709 GPRESSAVG: 46400 -104.038 -82.7062 5.67034 -81.1238 107.362 -24.6955 4.67336 -21.9896 -3.0744 TIMING: 46400 CPU: 145.679, 0.00313338/step Wall: 145.679, 0.00313338/step, 4.31153 hours remaining, 224.058594 MB of memory in use. ENERGY: 46400 3907.9068 20584.3006 14520.9255 239.7486 -202974.1508 2355.2563 0.0000 0.0000 52032.9169 -109333.0961 299.0339 -161366.0130 -108976.1717 299.4826 -206.0872 -177.2441 760621.5865 -0.0375 0.0832 PRESSURE: 46600 -202.703 -89.0823 51.1865 -89.0828 26.1972 -61.213 51.1856 -61.2131 154.556 GPRESSURE: 46600 -122.195 -92.6778 -72.7744 -191.121 -11.1151 -92.6921 78.4362 84.5648 186.134 PRESSAVG: 46600 -79.6621 -28.4702 29.2938 -28.4702 112.088 1.31612 29.2937 1.31616 -5.86151 GPRESSAVG: 46600 -80.9631 -28.6484 27.4547 -27.7695 112.394 -0.541152 29.1363 1.11127 -5.15979 TIMING: 46600 CPU: 146.304, 0.0031237/step Wall: 146.304, 0.0031237/step, 4.29804 hours remaining, 224.058594 MB of memory in use. ENERGY: 46600 3974.8101 20352.8044 14466.1865 273.1824 -203089.9109 2603.8420 0.0000 0.0000 52041.7946 -109377.2909 299.0849 -161419.0855 -109005.7844 299.9136 -7.3166 17.6077 759631.4412 8.8548 8.7572 PRESSURE: 46800 5.09753 -82.7686 -46.5717 -82.7699 -155.654 -172.642 -46.5719 -172.641 80.8002 GPRESSURE: 46800 -35.3193 -92.1861 26.6712 -157.429 -54.3742 -224.494 26.8214 -87.5333 108.393 PRESSAVG: 46800 -53.9624 -56.3498 11.5662 -56.3498 78.5841 -44.2996 11.5662 -44.2996 8.87771 GPRESSAVG: 46800 -54.0098 -55.9042 13.0752 -56.3923 79.0192 -43.1464 11.7425 -44.5994 8.59882 TIMING: 46800 CPU: 146.933, 0.00314336/step Wall: 146.933, 0.00314336/step, 4.32491 hours remaining, 224.058594 MB of memory in use. ENERGY: 46800 3986.9044 20661.1009 14407.7132 260.8298 -203212.7412 2466.9752 0.0000 0.0000 52117.4682 -109311.7495 299.5198 -161429.2177 -108955.5121 299.1531 -23.2522 6.2332 758295.2048 11.1665 11.2027 PRESSURE: 47000 37.8102 123.714 6.4868 123.713 106.153 101.771 6.48621 101.772 14.066 GPRESSURE: 47000 12.2757 -71.2188 61.3509 137.566 166.274 40.0632 -2.75905 38.8818 78.5797 PRESSAVG: 47000 -9.74648 -2.11499 -57.5776 -2.11496 15.2857 30.4956 -57.5776 30.4955 -3.3572 GPRESSAVG: 47000 -9.33237 -3.35893 -57.6187 -2.54571 14.9072 30.1886 -57.4577 29.021 -3.25547 TIMING: 47000 CPU: 147.559, 0.00313374/step Wall: 147.559, 0.00313374/step, 4.3115 hours remaining, 224.058594 MB of memory in use. ENERGY: 47000 4068.1990 20462.7860 14516.0642 251.9698 -203336.9573 2553.3561 0.0000 0.0000 52114.5901 -109369.9921 299.5033 -161484.5822 -109006.5944 299.8351 52.6763 85.7098 759142.0809 0.7273 0.7731 PRESSURE: 47200 -248.901 -207.711 161.406 -207.711 -264.052 -122.734 161.407 -122.734 -5.75381 GPRESSURE: 47200 -215.362 -2.40471 163.637 -201.099 -228.172 -75.5905 111.614 -42.7127 4.16906 PRESSAVG: 47200 6.11522 -57.2456 -54.8524 -57.2456 39.5255 -47.1834 -54.8523 -47.1834 15.9747 GPRESSAVG: 47200 6.26962 -58.1069 -55.3654 -56.072 39.9992 -45.6946 -56.6977 -45.5938 15.4779 TIMING: 47200 CPU: 148.185, 0.00312541/step Wall: 148.185, 0.00312541/step, 4.29987 hours remaining, 224.058594 MB of memory in use. ENERGY: 47200 3984.3324 20681.1801 14517.0835 237.9198 -203347.6753 2609.9433 0.0000 0.0000 51700.1547 -109617.0615 297.1215 -161317.2162 -109262.4265 299.1562 -172.9026 -146.4552 761282.5155 20.5385 20.5822 PRESSURE: 47400 -204.705 177.904 -43.5563 177.904 76.6514 29.1379 -43.5572 29.1389 -109.248 GPRESSURE: 47400 -135.455 28.8992 -83.1036 109.537 69.1247 84.2171 -94.3265 -115.027 -90.1747 PRESSAVG: 47400 -3.70581 -21.5357 -28.8798 -21.5357 13.7833 9.32218 -28.8799 9.32212 -2.56434 GPRESSAVG: 47400 -4.8666 -22.3128 -29.1442 -21.2722 13.8792 8.10738 -27.2875 7.89447 -1.07692 TIMING: 47400 CPU: 148.816, 0.00315568/step Wall: 148.816, 0.00315568/step, 4.34133 hours remaining, 224.058594 MB of memory in use. ENERGY: 47400 3907.0603 20515.5939 14384.9515 247.4126 -203077.3021 2331.9020 0.0000 0.0000 52102.0216 -109588.3603 299.4310 -161690.3818 -109218.1663 298.6117 -79.1004 -52.1683 760775.0451 2.5044 2.6452 PRESSURE: 47600 -238.833 -171.171 105.17 -171.17 -126.73 -43.8013 105.17 -43.8013 -211.999 GPRESSURE: 47600 -167.922 -336.806 109.025 -247.546 -146.454 -60.9638 -23.6756 -30.1234 -184.435 PRESSAVG: 47600 -29.0549 -40.1052 -21.9037 -40.1052 26.1868 74.6198 -21.9036 74.6199 -1.54762 GPRESSAVG: 47600 -27.5828 -37.8277 -21.196 -43.4159 25.6902 74.8632 -23.145 73.7202 -2.85296 TIMING: 47600 CPU: 149.443, 0.00313635/step Wall: 149.443, 0.00313635/step, 4.31457 hours remaining, 224.058594 MB of memory in use. ENERGY: 47600 3983.4312 20478.3258 14470.1857 248.4490 -203242.0362 2462.5580 0.0000 0.0000 51968.2276 -109630.8589 298.6621 -161599.0865 -109280.3034 299.2049 -192.5208 -166.2701 761421.5370 -1.4719 -1.5818 PRESSURE: 47800 4.93445 30.7296 169.925 30.7314 258.827 121.433 169.925 121.432 -12.237 GPRESSURE: 47800 68.6093 89.7136 141.896 27.3457 248.571 171.715 141.877 162.492 -7.56963 PRESSAVG: 47800 18.7309 -68.3384 -17.2467 -68.3384 -15.2302 62.2792 -17.2467 62.2793 9.05199 GPRESSAVG: 47800 17.0617 -68.7624 -19.1662 -66.6725 -14.1099 62.8928 -16.4943 63.222 9.17862 TIMING: 47800 CPU: 150.069, 0.00313229/step Wall: 150.069, 0.00313229/step, 4.30881 hours remaining, 224.058594 MB of memory in use. ENERGY: 47800 4115.9305 20575.3885 14401.3000 246.3028 -204051.3262 3011.1526 0.0000 0.0000 51974.5026 -109726.7492 298.6982 -161701.2519 -109374.7966 298.9771 83.8414 103.2036 760684.2405 4.1842 4.0435 PRESSURE: 48000 -66.8879 30.2661 -159.305 30.2663 -130.868 5.47956 -159.305 5.47897 532.118 GPRESSURE: 48000 -89.5218 108.444 -179.264 -75.2039 -72.3664 -20.1032 -222.266 81.7441 600.522 PRESSAVG: 48000 -19.2997 -68.66 4.62382 -68.66 27.7002 53.1104 4.62382 53.1104 -13.0948 GPRESSAVG: 48000 -18.0808 -68.5966 4.64598 -67.431 27.4253 52.5159 4.66293 53.8893 -13.8849 TIMING: 48000 CPU: 150.697, 0.0031404/step Wall: 150.697, 0.0031404/step, 4.31979 hours remaining, 224.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 48000 4043.6812 20390.6376 14443.0019 245.8555 -203853.8707 2880.8697 0.0000 0.0000 52088.6701 -109761.1547 299.3543 -161849.8248 -109394.2282 298.7614 111.4540 146.2114 761616.9920 -1.5648 -1.5135 PRESSURE: 48200 91.567 111.902 -190.918 111.901 -203.265 4.3544 -190.917 4.35487 283.019 GPRESSURE: 48200 125.249 190.435 -259.522 62.9576 -206.781 -63.7102 -66.9777 58.768 336.69 PRESSAVG: 48200 -16.1983 -67.255 -28.6069 -67.2551 -42.6867 5.94726 -28.6068 5.94737 21.3687 GPRESSAVG: 48200 -17.2238 -66.4947 -27.3388 -69.3323 -42.5933 7.20197 -30.0509 6.51721 22.3943 TIMING: 48200 CPU: 151.324, 0.003134/step Wall: 151.324, 0.003134/step, 4.31081 hours remaining, 224.058594 MB of memory in use. ENERGY: 48200 4043.7849 20358.6562 14528.6449 250.1315 -203812.5570 2843.1874 0.0000 0.0000 51976.4408 -109811.7114 298.7093 -161788.1522 -109447.4764 298.7469 57.1072 85.0529 760073.4101 -12.5054 -12.4742 LDB: ============= START OF LOAD BALANCING ============== 163.721 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 163.722 LDB: =============== DONE WITH MIGRATION ================ 163.723 LDB: ============= START OF LOAD BALANCING ============== 164.038 LDB: Largest compute 7057 load 0.031877 is 16.3% of average load 0.195385 LDB: Average compute 0.004376 is 2.2% of average load 0.195385 LDB: TIME 164.041 LOAD: AVG 0.195385 MAX 0.218415 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 224.301 MB LDB: TIME 164.042 LOAD: AVG 0.195385 MAX 0.218415 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.301 MB LDB: TIME 164.042 LOAD: AVG 0.195385 MAX 0.218415 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 164.044 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 164.049 PRESSURE: 48400 -299.69 24.9312 -9.96449 24.9313 91.0161 -235.354 -9.96451 -235.354 -31.6703 GPRESSURE: 48400 -249.419 -14.5361 -5.8567 46.5175 93.094 -257.733 34.0741 -210.387 1.81875 PRESSAVG: 48400 6.79584 -28.5554 -19.5691 -28.5553 10.9699 15.4598 -19.5691 15.4599 5.46826 GPRESSAVG: 48400 6.9042 -30.016 -20.8844 -27.0491 10.4627 13.3841 -16.9387 14.1837 6.08968 TIMING: 48400 CPU: 151.966, 0.00320829/step Wall: 151.966, 0.00320829/step, 4.41283 hours remaining, 225.851562 MB of memory in use. ENERGY: 48400 4025.7219 20436.1899 14373.9393 255.6651 -203817.8583 2840.2507 0.0000 0.0000 51977.6142 -109908.4771 298.7161 -161886.0913 -109546.0573 298.5145 -80.1146 -51.5021 760575.9655 7.7447 7.8189 PRESSURE: 48600 -471.104 -107.449 317.128 -107.449 30.5354 47.4226 317.128 47.4224 188.911 GPRESSURE: 48600 -456.591 -153.226 279.249 -48.3207 159.194 -15.5528 233.225 67.415 115.62 PRESSAVG: 48600 -65.1626 -54.5628 7.30738 -54.5629 71.0965 -4.24436 7.30741 -4.2443 23.8406 GPRESSAVG: 48600 -66.0208 -53.9334 7.39347 -56.5262 72.1515 -3.20979 6.10087 -3.69152 22.9487 TIMING: 48600 CPU: 152.595, 0.00314772/step Wall: 152.595, 0.00314772/step, 4.32934 hours remaining, 226.023438 MB of memory in use. ENERGY: 48600 3999.0342 20491.2560 14283.9555 259.9984 -203360.2296 2427.0806 0.0000 0.0000 51828.0190 -110070.8859 297.8563 -161898.9050 -109705.7558 298.5989 -83.8859 -60.5922 761445.3423 9.9248 9.6931 PRESSURE: 48800 139.701 -233.83 -76.8523 -233.83 401.877 13.4094 -76.852 13.409 140.735 GPRESSURE: 48800 186.109 -124.999 -101.123 -260.436 439.536 59.2584 -6.31464 46.2835 151.472 PRESSAVG: 48800 -6.05354 -17.671 -0.0889592 -17.671 30.1274 -3.23283 -0.0888984 -3.23279 8.2797 GPRESSAVG: 48800 -5.54464 -16.4757 0.0981516 -16.1108 28.4291 -3.24421 -0.722216 -3.9813 9.7262 TIMING: 48800 CPU: 153.222, 0.00313403/step Wall: 153.222, 0.00313403/step, 4.31034 hours remaining, 226.023438 MB of memory in use. ENERGY: 48800 3992.9830 20365.1468 14403.2805 249.7596 -203784.2752 2848.8366 0.0000 0.0000 51806.7104 -110117.5582 297.7339 -161924.2687 -109757.2541 298.0323 227.4376 259.0387 760922.2113 10.7845 10.8702 PRESSURE: 49000 -241.635 175.685 -294.642 175.685 27.4505 -84.9013 -294.643 -84.9015 -51.8633 GPRESSURE: 49000 -112.353 124.641 -269.312 148.453 1.00348 -10.333 -280.907 -168.371 -68.5776 PRESSAVG: 49000 -7.89817 -34.7948 -20.0602 -34.7948 1.45195 6.58495 -20.0602 6.58478 23.5153 GPRESSAVG: 49000 -7.6172 -37.2432 -20.2904 -36.7124 2.85252 7.14794 -20.22 6.64589 22.2666 TIMING: 49000 CPU: 153.85, 0.00313971/step Wall: 153.85, 0.00313971/step, 4.31798 hours remaining, 226.023438 MB of memory in use. ENERGY: 49000 4002.1219 20490.3424 14447.0789 242.3518 -203999.9519 2843.4895 0.0000 0.0000 51794.6225 -110179.9449 297.6644 -161974.5674 -109817.5722 297.5535 -88.6827 -59.9758 758161.6340 5.6897 5.8340 PRESSURE: 49200 -27.8877 47.2025 89.6893 47.2022 139.774 73.887 89.6891 73.8876 221.367 GPRESSURE: 49200 -40.663 -73.2436 47.7747 41.4233 162.392 125.439 99.7657 60.7137 306.703 PRESSAVG: 49200 16.3131 -31.6209 -24.3902 -31.6209 33.7521 39.9096 -24.3902 39.9095 -4.88015 GPRESSAVG: 49200 16.6181 -31.5227 -24.9062 -30.1276 33.3817 40.7817 -21.9541 41.7637 -5.08867 TIMING: 49200 CPU: 154.477, 0.0031337/step Wall: 154.477, 0.0031337/step, 4.30954 hours remaining, 226.261719 MB of memory in use. ENERGY: 49200 3915.5137 20384.5991 14421.5071 251.5468 -203408.7070 2689.7606 0.0000 0.0000 51745.3250 -110000.4548 297.3811 -161745.7798 -109642.0051 297.8704 111.0846 142.8104 760558.7406 15.0617 14.9704 PRESSURE: 49400 -106.427 -46.6236 119.152 -46.6236 -324.484 23.5643 119.153 23.5643 -219.612 GPRESSURE: 49400 -137.424 -44.3448 224.851 -24.7868 -220.65 59.3889 -5.65502 -4.76025 -202.797 PRESSAVG: 49400 -25.0896 -46.6747 -98.2522 -46.6747 22.119 55.0405 -98.2522 55.0405 4.68844 GPRESSAVG: 49400 -25.3797 -44.5547 -97.1364 -47.5488 23.1187 54.8413 -99.1915 52.3765 4.1226 TIMING: 49400 CPU: 155.107, 0.00314905/step Wall: 155.107, 0.00314904/step, 4.33046 hours remaining, 226.261719 MB of memory in use. ENERGY: 49400 3962.1867 20526.3499 14462.7325 245.7979 -203356.4511 2226.2403 0.0000 0.0000 51679.9426 -110253.2012 297.0053 -161933.1438 -109899.3267 297.5013 -216.8408 -186.9570 761383.5745 0.5726 0.6205 PRESSURE: 49600 118.955 -73.8042 -225.183 -73.8041 18.609 93.1418 -225.182 93.1416 111.463 GPRESSURE: 49600 135.896 -25.3522 -154.658 -71.7167 75.0195 119.491 -208.763 -25.4504 134.42 PRESSAVG: 49600 -44.8726 -10.5463 16.3399 -10.5463 25.425 44.4701 16.34 44.4701 -13.6245 GPRESSAVG: 49600 -44.7113 -11.4641 16.387 -10.5067 23.3829 43.4415 15.3156 45.9542 -11.7889 TIMING: 49600 CPU: 155.735, 0.00313978/step Wall: 155.735, 0.00313978/step, 4.31755 hours remaining, 226.261719 MB of memory in use. ENERGY: 49600 3941.4903 20456.1715 14424.1875 242.9813 -203775.5732 2688.2653 0.0000 0.0000 51908.6078 -110113.8694 298.3195 -162022.4772 -109751.6280 297.8915 83.0091 115.1119 761498.9708 -11.0240 -11.0391 PRESSURE: 49800 -239.388 28.664 -25.2485 28.664 103.302 116.739 -25.2475 116.739 -73.0029 GPRESSURE: 49800 -229.438 79.5208 -30.2316 70.0998 143.377 116.669 6.42462 -24.3919 -42.8959 PRESSAVG: 49800 -45.6555 2.66572 -24.1046 2.66574 91.2867 8.88203 -24.1045 8.88205 -14.4153 GPRESSAVG: 49800 -45.3417 1.28188 -23.4147 4.37688 91.9157 8.72269 -23.0887 9.65865 -15.7021 TIMING: 49800 CPU: 156.364, 0.00314434/step Wall: 156.364, 0.00314434/step, 4.32364 hours remaining, 226.261719 MB of memory in use. ENERGY: 49800 3991.1079 20466.7165 14478.2355 221.1403 -203793.6028 2624.6920 0.0000 0.0000 52000.0896 -110011.6211 298.8452 -162011.7107 -109652.2979 298.4193 -69.6963 -42.9858 760667.1545 10.4053 10.2906 PRESSURE: 50000 -550.232 -161.965 -138.043 -161.965 -288.3 165.137 -138.043 165.137 -451.009 GPRESSURE: 50000 -537.267 -166.321 -176.185 -225.276 -263.891 87.285 -206.99 56.9452 -398.211 PRESSAVG: 50000 -46.3294 -18.7267 34.0623 -18.7267 4.67978 -20.8738 34.0623 -20.8738 25.3598 GPRESSAVG: 50000 -46.753 -17.9555 31.871 -20.3942 4.43392 -21.2719 31.9577 -22.1329 26.4537 TIMING: 50000 CPU: 156.991, 0.00313882/step Wall: 156.991, 0.00313882/step, 4.31587 hours remaining, 226.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 50000 4050.7525 20404.8842 14489.2847 241.5031 -203194.6136 2282.4104 0.0000 0.0000 51684.3426 -110041.4360 297.0306 -161725.7787 -109675.4247 298.0863 -429.8471 -399.7895 761676.4899 -5.4299 -5.2885 PRESSURE: 50200 -367.309 -25.6572 142.975 -25.6569 51.2774 21.4065 142.975 21.4068 -75.7474 GPRESSURE: 50200 -342.373 70.6569 143.719 -27.8133 86.7131 14.3929 61.1595 127.504 -61.9707 PRESSAVG: 50200 5.72882 -71.451 -5.54106 -71.4511 15.4599 16.0523 -5.54101 16.0524 -1.73961 GPRESSAVG: 50200 5.41185 -70.8228 -4.15551 -71.1574 17.2945 17.0865 -6.31723 16.4482 -2.7438 TIMING: 50200 CPU: 157.619, 0.00313778/step Wall: 157.619, 0.00313778/step, 4.31428 hours remaining, 226.261719 MB of memory in use. ENERGY: 50200 4032.5162 20485.3969 14502.4104 232.0221 -203350.4805 2467.6583 0.0000 0.0000 51673.5102 -109956.9664 296.9684 -161630.4766 -109598.9901 297.8488 -130.5930 -105.8769 761959.8651 6.4830 6.6542 PRESSURE: 50400 -65.361 -9.4721 -138.427 -9.47282 -211.336 312.036 -138.428 312.036 137.085 GPRESSURE: 50400 -183.737 -124.245 -107.601 -10.7737 -101.936 301.035 -51.3469 212.624 214.229 PRESSAVG: 50400 9.52354 -50.5492 -21.3539 -50.5492 -8.58793 -20.9416 -21.3539 -20.9416 -3.79386 GPRESSAVG: 50400 10.3714 -50.2983 -21.1874 -51.3983 -8.71861 -21.1758 -19.1444 -21.6623 -4.06511 TIMING: 50400 CPU: 158.244, 0.00312771/step Wall: 158.244, 0.00312771/step, 4.30025 hours remaining, 226.367188 MB of memory in use. ENERGY: 50400 3990.6395 20388.9552 14371.2852 260.5884 -204044.2076 2806.9693 0.0000 0.0000 52161.5075 -110064.2626 299.7729 -162225.7702 -109698.8816 298.1456 -46.5375 -23.8148 762481.9453 -0.9528 -0.8041 PRESSURE: 50600 248.809 -108.085 -40.5397 -108.085 -34.495 129.961 -40.5387 129.959 221.756 GPRESSURE: 50600 321.277 -60.6825 -5.3492 -29.9753 54.7762 83.4967 -158.869 50.9475 135.634 PRESSAVG: 50600 -36.4031 -11.95 -37.7205 -11.95 -12.9152 19.8939 -37.7204 19.8939 12.4069 GPRESSAVG: 50600 -36.415 -10.8358 -36.337 -11.2732 -13.4009 20.0916 -38.007 18.8911 12.7165 TIMING: 50600 CPU: 158.873, 0.0031404/step Wall: 158.873, 0.0031404/step, 4.31752 hours remaining, 226.367188 MB of memory in use. ENERGY: 50600 4004.0421 20474.9105 14467.5383 230.4820 -203571.8059 2685.6557 0.0000 0.0000 51699.8050 -110009.3722 297.1195 -161709.1773 -109650.6133 298.0120 145.3567 170.5625 761328.1321 -12.3038 -12.3665 PRESSURE: 50800 -270.927 69.0541 76.254 69.0536 -438.44 21.4926 76.2546 21.4924 -138.604 GPRESSURE: 50800 -127.918 -13.1902 74.6808 39.0604 -423.755 35.2558 120.502 101.653 -201.14 PRESSAVG: 50800 -22.4354 -34.6145 -24.252 -34.6145 13.8278 13.3433 -24.2521 13.3433 -17.3592 GPRESSAVG: 50800 -22.4047 -35.7951 -26.2478 -34.7816 14.0458 12.3741 -24.8012 15.6431 -17.3991 TIMING: 50800 CPU: 159.499, 0.00313118/step Wall: 159.499, 0.00313118/step, 4.30467 hours remaining, 226.367188 MB of memory in use. ENERGY: 50800 4066.9197 20430.5313 14391.3070 234.7237 -203753.2101 2572.8496 0.0000 0.0000 52020.1152 -110036.7636 298.9603 -162056.8788 -109667.8543 297.5559 -282.6573 -250.9379 761935.2834 -8.6556 -8.5860 PRESSURE: 51000 -98.7119 -61.4983 297.222 -61.4978 -383.559 -10.2732 297.221 -10.2724 7.08155 GPRESSURE: 51000 -106.961 -69.4814 187.687 -1.63965 -317.572 -96.4704 306.535 -71.2553 50.3748 PRESSAVG: 51000 -50.2493 -49.4838 22.9672 -49.4837 88.6096 -7.42082 22.9672 -7.42076 -34.7383 GPRESSAVG: 51000 -50.1472 -49.1865 23.0151 -49.1678 87.0385 -6.65365 20.948 -7.90069 -33.8053 TIMING: 51000 CPU: 160.125, 0.00313048/step Wall: 160.125, 0.00313048/step, 4.30355 hours remaining, 226.367188 MB of memory in use. ENERGY: 51000 3955.0580 20470.3961 14378.7547 258.9895 -203603.2215 2605.4550 0.0000 0.0000 51907.1898 -110027.3784 298.3113 -161934.5682 -109668.9918 298.0011 -158.3964 -124.7193 761292.7476 1.2073 1.0287 PRESSURE: 51200 -282.892 70.5209 53.1912 70.5213 -261.908 200.494 53.1923 200.495 47.8946 GPRESSURE: 51200 -283.62 -54.6639 2.42382 107.933 -190.17 210.058 140.042 159.569 71.4939 PRESSAVG: 51200 -44.5997 -37.1144 6.20641 -37.1144 47.7079 -5.31032 6.20643 -5.31019 7.46991 GPRESSAVG: 51200 -45.3212 -39.3671 6.75845 -35.3704 49.7758 -4.16679 8.55909 -4.94806 6.61121 TIMING: 51200 CPU: 160.754, 0.00314381/step Wall: 160.754, 0.0031438/step, 4.32168 hours remaining, 226.367188 MB of memory in use. ENERGY: 51200 3983.0898 20416.7309 14525.1531 229.8034 -203161.6027 2336.5828 0.0000 0.0000 51635.9723 -110034.2703 296.7526 -161670.2426 -109677.3893 298.1752 -165.6353 -134.0986 761489.6466 3.5260 3.6886 PRESSURE: 51400 -376.487 -278.291 77.881 -278.29 -167.083 419.169 77.881 419.168 -219.347 GPRESSURE: 51400 -271.893 -193.716 27.2057 -188.429 -150.864 415.558 35.0976 48.9326 -222.422 PRESSAVG: 51400 12.2082 19.3742 6.19787 19.3741 -25.2453 -11.814 6.19789 -11.814 -32.3872 GPRESSAVG: 51400 12.7372 22.0688 6.08145 20.1778 -25.3449 -12.1948 4.08255 -13.2614 -32.0704 TIMING: 51400 CPU: 161.382, 0.00314419/step Wall: 161.382, 0.00314419/step, 4.32204 hours remaining, 226.367188 MB of memory in use. ENERGY: 51400 4014.1033 20357.5664 14407.6233 233.1113 -203246.7881 2351.4323 0.0000 0.0000 51876.4938 -110006.4577 298.1349 -161882.9516 -109647.1333 297.8630 -254.3054 -215.0600 759760.4565 -15.1415 -14.8927 PRESSURE: 51600 103.092 -69.7078 -172.269 -69.7077 -162.688 -18.7132 -172.269 -18.7122 -248.057 GPRESSURE: 51600 118.652 -9.53227 -141.131 -120.501 -47.5243 -49.0999 -107.048 -48.7315 -295.952 PRESSAVG: 51600 4.60243 -36.4759 -47.1431 -36.476 19.8606 -25.8247 -47.143 -25.8247 -12.68 GPRESSAVG: 51600 4.89787 -36.1413 -46.4941 -40.091 20.3815 -27.3548 -43.975 -25.8858 -12.6177 TIMING: 51600 CPU: 162.01, 0.00313927/step Wall: 162.01, 0.00313927/step, 4.31509 hours remaining, 226.367188 MB of memory in use. ENERGY: 51600 4003.7781 20651.2304 14549.5692 235.5663 -203110.3113 2224.2336 0.0000 0.0000 51906.2465 -109539.6870 298.3059 -161445.9335 -109181.7727 298.9775 -102.5509 -74.9414 760539.8769 3.9277 4.2205 PRESSURE: 51800 307.41 -95.9854 -151.216 -95.9859 -23.4593 -66.1027 -151.216 -66.1019 109.166 GPRESSURE: 51800 214.691 -26.9674 -132.963 -23.6254 119.336 -15.773 -231.657 9.90154 151.542 PRESSAVG: 51800 -7.31217 -30.9166 6.9944 -30.9165 29.0883 -28.2097 6.99448 -28.2098 7.36032 GPRESSAVG: 51800 -7.33195 -31.4982 6.28421 -28.6806 28.4215 -28.4064 6.15415 -28.0358 8.37855 TIMING: 51800 CPU: 162.638, 0.00313806/step Wall: 162.638, 0.00313806/step, 4.31326 hours remaining, 226.367188 MB of memory in use. ENERGY: 51800 4035.1251 20528.3905 14513.0191 241.6617 -203251.3776 2580.3870 0.0000 0.0000 51794.3329 -109558.4613 297.6627 -161352.7942 -109199.2902 299.1611 131.0391 161.8563 761027.4637 9.7121 9.8227 PRESSURE: 52000 -5.75515 158.27 -1.96428 158.269 -234.437 -4.81461 -1.96435 -4.81358 13.3114 GPRESSURE: 52000 4.85099 143.837 -10.5553 206.284 -115.311 66.3011 79.3655 -63.759 -27.1405 PRESSAVG: 52000 -27.7059 -38.364 -15.2184 -38.3641 39.5639 -25.6485 -15.2184 -25.6486 -1.76312 GPRESSAVG: 52000 -28.9564 -39.5663 -16.2672 -37.8603 40.7191 -24.062 -15.5504 -25.2747 -2.02513 TIMING: 52000 CPU: 163.268, 0.00314817/step Wall: 163.268, 0.00314817/step, 4.32699 hours remaining, 226.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 52000 4026.8350 20606.8343 14492.2887 239.3137 -203580.3204 2485.9178 0.0000 0.0000 52207.9325 -109521.1985 300.0397 -161729.1309 -109156.6068 299.3964 -75.6269 -45.8668 760815.3720 3.3650 3.2459 PRESSURE: 52200 -58.7962 -96.6201 -190.085 -96.6202 -19.4709 -36.4664 -190.086 -36.467 115.866 GPRESSURE: 52200 -42.1272 -40.5591 -155.668 -13.0711 -9.90467 -18.5712 -95.9497 -132.866 171.89 PRESSAVG: 52200 9.19578 -9.68579 5.04227 -9.68582 -17.0318 -2.93234 5.04224 -2.93231 -5.70375 GPRESSAVG: 52200 10.1159 -7.80919 6.98041 -8.56776 -18.1481 -3.20311 4.98148 -4.33796 -5.62685 TIMING: 52200 CPU: 163.894, 0.00313448/step Wall: 163.894, 0.00313449/step, 4.308 hours remaining, 226.367188 MB of memory in use. ENERGY: 52200 4056.2133 20477.1336 14483.7694 235.4121 -203904.6639 2883.7150 0.0000 0.0000 51947.4946 -109820.9258 298.5430 -161768.4204 -109455.9756 299.1460 12.5331 39.9526 759955.5911 -4.5133 -4.5530 LDB: ============= START OF LOAD BALANCING ============== 176.292 LDB: ============== END OF LOAD BALANCING =============== 176.293 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 176.294 LDB: ============= START OF LOAD BALANCING ============== 176.61 LDB: Largest compute 7067 load 0.031973 is 16.4% of average load 0.195245 LDB: Average compute 0.004363 is 2.2% of average load 0.195245 LDB: TIME 176.613 LOAD: AVG 0.195245 MAX 0.216735 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 224.543 MB LDB: TIME 176.614 LOAD: AVG 0.195245 MAX 0.216735 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.602 MB LDB: TIME 176.614 LOAD: AVG 0.195245 MAX 0.216735 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.602 MB LDB: ============== END OF LOAD BALANCING =============== 176.616 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 176.62 PRESSURE: 52400 -464.557 -122.096 -10.8368 -122.097 219.041 -186.261 -10.8383 -186.262 -74.7143 GPRESSURE: 52400 -407.342 -276.261 72.9612 -78.8154 266.145 -40.9522 -42.4093 -105.572 -99.8225 PRESSAVG: 52400 -19.0602 -4.35168 21.01 -4.35167 51.7704 2.03518 21.01 2.03518 -15.0434 GPRESSAVG: 52400 -18.8292 -4.87084 20.6783 -5.26228 52.4845 0.897319 19.9693 1.3742 -15.676 TIMING: 52400 CPU: 164.537, 0.00321516/step Wall: 164.537, 0.00321516/step, 4.4187 hours remaining, 225.300781 MB of memory in use. ENERGY: 52400 4008.8160 20501.4082 14446.1544 234.1053 -203548.5190 2584.6441 0.0000 0.0000 52119.3730 -109654.0181 299.5308 -161773.3910 -109285.3227 298.6701 -106.7436 -80.3396 759831.9363 5.8889 5.9931 PRESSURE: 52600 -76.3632 -25.6926 16.4917 -25.6932 165.842 283.844 16.4912 283.843 -236.452 GPRESSURE: 52600 -18.1305 66.7051 4.97884 36.5143 166.411 167.344 131.247 286.516 -225.895 PRESSAVG: 52600 -79.9415 -10.5966 -36.6148 -10.5966 147.858 38.2191 -36.6148 38.2191 -9.21252 GPRESSAVG: 52600 -80.8727 -9.33698 -36.224 -10.265 148.035 38.62 -36.5075 38.1874 -8.88199 TIMING: 52600 CPU: 165.165, 0.00313817/step Wall: 165.165, 0.00313817/step, 4.31272 hours remaining, 225.300781 MB of memory in use. ENERGY: 52600 4000.9062 20430.3830 14473.3983 253.8211 -203549.9058 2584.4026 0.0000 0.0000 52058.0542 -109748.9403 299.1784 -161806.9946 -109387.8075 298.7948 -48.9914 -25.8715 760704.9725 19.5681 19.4269 PRESSURE: 52800 -149.206 13.9065 -162.607 13.9071 -373.183 -223.333 -162.607 -223.335 -476.624 GPRESSURE: 52800 -96.9317 -62.0834 -196.975 -27.916 -313.606 -225.273 -81.9751 -189.181 -494.469 PRESSAVG: 52800 22.116 -72.4545 -55.1952 -72.4545 14.6153 -0.747429 -55.1952 -0.74748 5.29052 GPRESSAVG: 52800 23.4031 -72.7903 -55.2948 -72.6742 14.8432 -1.30277 -53.5409 1.84607 3.84008 TIMING: 52800 CPU: 165.793, 0.00313843/step Wall: 165.793, 0.00313843/step, 4.3129 hours remaining, 225.300781 MB of memory in use. ENERGY: 52800 3988.7028 20487.6626 14388.2700 270.8982 -203038.5573 2048.5489 0.0000 0.0000 52064.6001 -109789.8747 299.2160 -161854.4749 -109423.7949 298.7333 -333.0041 -301.6691 762133.5903 14.0073 14.0288 PRESSURE: 53000 -22.8186 78.8839 -14.5346 78.8843 -22.755 -26.665 -14.5342 -26.6668 178.888 GPRESSURE: 53000 -2.24995 -68.8216 -17.8243 67.1988 -12.964 -39.2308 -132.235 11.3056 232.772 PRESSAVG: 53000 21.6823 -40.571 -19.6568 -40.5712 -7.51193 17.5574 -19.6567 17.5574 -24.361 GPRESSAVG: 53000 21.1296 -42.5523 -21.6207 -42.8397 -8.17779 18.6976 -18.8793 15.2639 -23.364 TIMING: 53000 CPU: 166.419, 0.0031305/step Wall: 166.419, 0.0031305/step, 4.30183 hours remaining, 225.339844 MB of memory in use. ENERGY: 53000 3929.5099 20474.6800 14412.2430 264.6134 -203157.0193 2418.2237 0.0000 0.0000 52001.9297 -109655.8196 298.8558 -161657.7493 -109296.1247 298.9404 44.4381 72.5194 761189.1751 -3.3969 -3.4707 PRESSURE: 53200 -49.2375 -71.5906 -182.469 -71.5908 202.62 14.8498 -182.468 14.8507 -320.615 GPRESSURE: 53200 43.7461 -136.978 -155.681 25.348 140.183 74.0674 -77.1764 55.4079 -258.045 PRESSAVG: 53200 44.3486 -51.3127 -18.3106 -51.3126 -15.7374 8.77342 -18.3106 8.77335 8.75881 GPRESSAVG: 53200 43.3069 -49.4485 -17.001 -50.5512 -16.5103 8.83668 -20.8222 10.2781 10.7457 TIMING: 53200 CPU: 167.048, 0.00314406/step Wall: 167.048, 0.00314406/step, 4.32029 hours remaining, 225.339844 MB of memory in use. ENERGY: 53200 3960.0365 20296.1671 14488.4198 230.3343 -203483.9936 2805.8348 0.0000 0.0000 51878.0092 -109825.1920 298.1436 -161703.2011 -109467.5651 298.1620 -55.7440 -24.7051 762552.4624 12.4567 12.5141 PRESSURE: 53400 -212.867 -18.44 114.587 -18.4402 -107.941 133.215 114.587 133.216 360.439 GPRESSURE: 53400 -79.9987 -55.9254 28.7611 -97.6243 -82.4729 117.951 -3.98647 -0.107912 258.226 PRESSAVG: 53400 -20.442 -57.6662 18.6805 -57.6662 24.5273 18.64 18.6805 18.64 -1.29128 GPRESSAVG: 53400 -19.2418 -57.6599 18.666 -55.2056 25.7872 17.6065 20.1945 17.4415 -4.30551 TIMING: 53400 CPU: 167.675, 0.00313696/step Wall: 167.675, 0.00313696/step, 4.31036 hours remaining, 225.339844 MB of memory in use. ENERGY: 53400 3964.3425 20582.1139 14487.6258 242.1281 -203130.5681 2422.4402 0.0000 0.0000 51747.6507 -109684.2669 297.3945 -161431.9176 -109311.3723 297.8459 13.2102 31.9180 762222.4719 0.9314 0.7466 PRESSURE: 53600 -164.79 102.862 -165.93 102.861 -137.876 -69.0107 -165.931 -69.0095 -48.553 GPRESSURE: 53600 -189.221 31.9018 -139.311 141.141 7.73482 -147.44 37.1796 3.5119 -73.1725 PRESSAVG: 53600 -60.6309 -15.7405 31.5616 -15.7405 38.5266 -13.9935 31.5616 -13.9935 -9.3983 GPRESSAVG: 53600 -61.3492 -17.6071 29.8322 -18.963 38.52 -12.621 30.8593 -13.6803 -8.31029 TIMING: 53600 CPU: 168.302, 0.00313413/step Wall: 168.302, 0.00313413/step, 4.3063 hours remaining, 225.339844 MB of memory in use. ENERGY: 53600 3930.0811 20331.5837 14394.1179 224.2776 -203014.3744 2357.5161 0.0000 0.0000 52163.8312 -109612.9669 299.7863 -161776.7981 -109247.9340 298.4518 -117.0730 -84.8861 761244.7534 -10.5009 -10.3798 PRESSURE: 53800 -186.499 8.0214 -106.936 8.02102 -343.777 14.5514 -106.936 14.5523 -245.551 GPRESSURE: 53800 -147.218 -64.3752 -98.0569 88.4083 -347.164 37.0768 -107.722 45.3612 -186.063 PRESSAVG: 53800 -28.4488 -1.02612 32.8619 -1.02606 40.1799 -23.146 32.8619 -23.1459 5.85845 GPRESSAVG: 53800 -28.0058 -1.42737 33.7294 1.31926 39.9953 -23.7458 35.0642 -22.7642 5.68666 TIMING: 53800 CPU: 168.929, 0.00313364/step Wall: 168.929, 0.00313364/step, 4.30545 hours remaining, 225.339844 MB of memory in use. ENERGY: 53800 3964.7061 20500.0984 14454.0141 250.3124 -202916.7033 2213.8633 0.0000 0.0000 52029.9086 -109503.8003 299.0166 -161533.7089 -109152.4742 299.0458 -258.6091 -226.8149 762344.1487 5.8632 5.8921 PRESSURE: 54000 77.4775 155.267 84.2677 155.267 -267.522 -38.5905 84.2679 -38.5902 -2.71067 GPRESSURE: 54000 83.758 192.711 163.31 165.419 -253.326 -107.487 -46.0422 -4.62893 62.5393 PRESSAVG: 54000 -33.7238 -2.23299 46.1679 -2.23297 13.9056 -27.9148 46.1679 -27.9148 10.4332 GPRESSAVG: 54000 -34.6055 -1.18627 47.766 -3.5605 13.6432 -27.4064 43.1068 -26.8986 11.2106 TIMING: 54000 CPU: 169.557, 0.00314371/step Wall: 169.557, 0.00314371/step, 4.3191 hours remaining, 225.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 54000 4081.5417 20380.9519 14413.7541 257.4490 -203239.6561 2573.8504 0.0000 0.0000 52078.0709 -109454.0382 299.2934 -161532.1091 -109091.1109 298.8460 -64.2516 -35.6763 761359.3890 -3.1283 -3.2506 PRESSURE: 54200 168.07 -173.159 251.694 -173.159 -127.586 -194.153 251.694 -194.153 39.5838 GPRESSURE: 54200 178.631 -39.9617 197.984 -137.843 -26.6508 -111.604 263.649 -342.32 14.8951 PRESSAVG: 54200 97.9733 23.2585 16.2965 23.2585 -1.03623 -12.0096 16.2965 -12.0095 -19.9837 GPRESSAVG: 54200 98.3616 24.9355 16.4262 23.8424 -1.36471 -11.9492 17.4258 -13.9323 -19.9089 TIMING: 54200 CPU: 170.185, 0.00313771/step Wall: 170.185, 0.00313772/step, 4.3107 hours remaining, 225.339844 MB of memory in use. ENERGY: 54200 4017.8944 20390.2844 14455.8493 236.6895 -203844.2512 2830.2160 0.0000 0.0000 52065.7974 -109847.5202 299.2229 -161913.3176 -109486.6600 299.0533 26.6892 55.6252 760358.3576 25.6511 25.6960 PRESSURE: 54400 -415.611 58.0727 -4.50965 58.0729 -428.232 146.701 -4.5098 146.701 -210.793 GPRESSURE: 54400 -375.975 7.47327 45.2537 97.6676 -361.627 136.908 8.05226 132.147 -232.19 PRESSAVG: 54400 14.9486 13.4124 15.6919 13.4123 -14.2511 9.81835 15.692 9.81831 -10.4759 GPRESSAVG: 54400 13.8819 12.7664 15.1225 14.5395 -11.9823 11.4227 15.3064 10.0197 -11.722 TIMING: 54400 CPU: 170.81, 0.00312401/step Wall: 170.81, 0.00312401/step, 4.2917 hours remaining, 225.339844 MB of memory in use. ENERGY: 54400 4046.4769 20451.1840 14395.1760 247.7953 -203456.6360 2410.9111 0.0000 0.0000 52223.0526 -109682.0400 300.1266 -161905.0926 -109319.7222 298.4696 -351.5452 -323.2639 760166.5747 -3.2595 -3.2741 PRESSURE: 54600 282.67 72.2021 44.0986 72.2028 147.346 -151.832 44.0998 -151.833 -88.7612 GPRESSURE: 54600 231.606 -47.438 60.2689 199.932 145.373 -139.539 158.268 -38.9786 47.2036 PRESSAVG: 54600 22.6589 31.3475 30.8362 31.3475 55.5077 -5.54012 30.8362 -5.54008 -1.57156 GPRESSAVG: 54600 23.547 31.2761 32.0116 31.3349 53.775 -6.66376 29.4586 -7.0842 -0.961088 TIMING: 54600 CPU: 171.434, 0.00312328/step Wall: 171.434, 0.00312328/step, 4.29052 hours remaining, 225.339844 MB of memory in use. ENERGY: 54600 3971.6003 20315.3553 14491.8477 239.6398 -203492.3591 2792.1932 0.0000 0.0000 51699.3785 -109982.3443 297.1170 -161681.7228 -109623.6955 299.0095 113.7518 141.3943 760055.6074 25.5317 25.4536 PRESSURE: 54800 95.4258 -177.97 217.982 -177.97 -236.805 108.49 217.981 108.491 249.52 GPRESSURE: 54800 51.3114 -145.609 172.79 -109.396 -124.186 104.011 130.077 154.834 263.522 PRESSAVG: 54800 29.2429 3.14889 -16.522 3.14892 -28.3339 -3.02056 -16.5219 -3.02054 -0.489234 GPRESSAVG: 54800 27.8762 1.41493 -18.4723 3.58022 -26.6113 -3.83387 -14.3237 -3.5738 -0.926418 TIMING: 54800 CPU: 172.057, 0.00311469/step Wall: 172.057, 0.00311469/step, 4.27854 hours remaining, 225.339844 MB of memory in use. ENERGY: 54800 4025.8110 20454.5231 14447.8076 239.2810 -203324.5048 2631.9543 0.0000 0.0000 51824.6824 -109700.4454 297.8372 -161525.1278 -109343.2435 298.6382 36.0471 63.5494 762656.0855 0.1399 0.1128 PRESSURE: 55000 -58.333 23.4923 -48.0731 23.4927 215.907 263.991 -48.0732 263.991 261.383 GPRESSURE: 55000 -5.03712 -73.1546 -62.7032 138.704 241.967 259.564 42.8025 216.812 257.863 PRESSAVG: 55000 27.8681 6.73196 -23.8012 6.73201 -35.7799 35.3544 -23.8011 35.3545 -2.70059 GPRESSAVG: 55000 28.9124 6.04903 -22.9357 7.21267 -37.9378 35.6305 -22.939 38.3443 -1.81357 TIMING: 55000 CPU: 172.682, 0.00312321/step Wall: 172.682, 0.00312321/step, 4.29007 hours remaining, 225.339844 MB of memory in use. ENERGY: 55000 4069.5328 20415.9102 14431.6357 247.3176 -203363.8822 2770.0922 0.0000 0.0000 51950.7064 -109478.6873 298.5614 -161429.3938 -109111.5569 298.4836 139.6524 164.9308 763374.2311 -3.5374 -3.6130 PRESSURE: 55200 -110.326 -58.914 185.717 -58.9139 111.228 -108.084 185.717 -108.085 -27.7044 GPRESSURE: 55200 5.70496 -74.1722 223.743 -83.508 72.3903 -56.1527 151.802 -38.0687 -6.03137 PRESSAVG: 55200 -3.51304 9.27819 43.5446 9.2782 -4.20922 8.90678 43.5446 8.90675 29.4247 GPRESSAVG: 55200 -3.72818 10.12 44.5394 9.15738 -3.80824 9.27643 43.0989 6.30059 30.0561 TIMING: 55200 CPU: 173.308, 0.00313215/step Wall: 173.308, 0.00313215/step, 4.30219 hours remaining, 225.339844 MB of memory in use. ENERGY: 55200 4037.9031 20569.0017 14411.0169 231.7291 -203768.8127 2902.5335 0.0000 0.0000 52170.8959 -109445.7326 299.8269 -161616.6285 -109088.9324 299.5682 -8.9340 24.0213 761693.2167 7.2342 7.5066 PRESSURE: 55400 -225.196 115.583 -64.7181 115.582 -159.272 -79.6906 -64.718 -79.6898 415.567 GPRESSURE: 55400 -164.651 229.901 -23.2323 50.4016 -203.431 -82.7353 -94.5039 9.58457 472.769 PRESSAVG: 55400 -55.4498 -44.7234 19.7102 -44.7234 37.1894 -9.54169 19.7102 -9.54164 3.68196 GPRESSAVG: 55400 -54.5008 -43.0555 20.0737 -47.1451 38.7538 -9.56856 19.7202 -6.30666 1.8246 TIMING: 55400 CPU: 173.932, 0.00311923/step Wall: 173.932, 0.00311923/step, 4.28426 hours remaining, 225.339844 MB of memory in use. ENERGY: 55400 3889.9504 20476.3746 14498.1772 245.3506 -203153.8427 2437.1862 0.0000 0.0000 52342.4992 -109264.3044 300.8131 -161606.8037 -108901.6313 299.5302 10.3663 34.8956 761474.3971 -4.8595 -4.6408 PRESSURE: 55600 86.1473 112.554 -9.19042 112.554 184.029 -128.872 -9.19075 -128.871 -307.539 GPRESSURE: 55600 158.994 60.3286 -39.2047 81.7063 128.16 -83.2827 -66.6467 -71.1925 -248.534 PRESSAVG: 55600 -31.4881 15.7474 1.92589 15.7475 28.9323 23.5868 1.92581 23.5868 8.28294 GPRESSAVG: 55600 -32.4504 15.2665 0.748188 17.3633 28.8104 24.6903 0.0648854 19.1169 9.36291 TIMING: 55600 CPU: 174.558, 0.00312757/step Wall: 174.558, 0.00312757/step, 4.29554 hours remaining, 225.339844 MB of memory in use. ENERGY: 55600 3938.9313 20519.7721 14466.4359 255.7333 -203445.2697 2691.9960 0.0000 0.0000 52345.4070 -109226.9941 300.8298 -161572.4011 -108863.2680 299.8499 -12.4544 12.8731 760835.8548 1.9091 1.9077 PRESSURE: 55800 -27.9248 -55.5703 104.043 -55.5704 -78.3523 139.638 104.044 139.637 -103.563 GPRESSURE: 55800 106.428 -56.2767 103.755 4.71839 -150.561 20.4533 -51.1162 212.11 -96.3863 PRESSAVG: 55800 31.4651 7.37596 -20.5459 7.376 7.42748 -4.16714 -20.5459 -4.1671 3.12455 GPRESSAVG: 55800 32.2763 7.48734 -19.1246 8.2326 7.65611 -5.27742 -18.6493 -2.34339 2.58424 TIMING: 55800 CPU: 175.187, 0.00314746/step Wall: 175.187, 0.00314746/step, 4.32269 hours remaining, 225.339844 MB of memory in use. ENERGY: 55800 4027.8591 20430.5842 14457.0282 242.4274 -203284.6786 2606.0589 0.0000 0.0000 52086.6886 -109434.0322 299.3429 -161520.7208 -109065.9875 299.3192 -69.9467 -46.8397 762164.1155 14.0057 14.1722 PRESSURE: 56000 177.424 -7.03384 204.666 -7.03273 -285.788 199.501 204.666 199.5 -13.1785 GPRESSURE: 56000 113.591 -113.538 215.34 30.1542 -237.212 215.548 149.185 101.285 92.3948 PRESSAVG: 56000 64.4651 4.69604 27.3827 4.69601 -97.6704 10.9366 27.3828 10.9367 -12.618 GPRESSAVG: 56000 64.0492 2.24447 26.2189 4.18583 -97.4263 10.3403 27.2747 10.4703 -12.214 TIMING: 56000 CPU: 175.817, 0.0031503/step Wall: 175.817, 0.0031503/step, 4.32641 hours remaining, 225.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 56000 4003.8037 20426.7054 14382.6020 255.2613 -203534.0609 2619.0497 0.0000 0.0000 52232.3740 -109614.2650 300.1802 -161846.6389 -109249.2607 298.7548 -40.5142 -10.4086 761187.4897 -15.2744 -15.1970 PRESSURE: 56200 -18.8386 62.8445 -291.887 62.8458 11.5289 -163.05 -291.887 -163.049 -270.963 GPRESSURE: 56200 22.9249 88.7109 -353.363 -20.3722 4.61112 -215.87 -222.429 -192.026 -221.484 PRESSAVG: 56200 0.777098 -38.8414 -19.6676 -38.8414 -11.4378 -30.7813 -19.6676 -30.7813 8.59581 GPRESSAVG: 56200 0.567411 -36.1632 -19.0947 -38.6524 -12.5965 -30.3918 -20.5196 -30.2638 9.52942 TIMING: 56200 CPU: 176.446, 0.00314294/step Wall: 176.446, 0.00314294/step, 4.31613 hours remaining, 225.339844 MB of memory in use. ENERGY: 56200 3986.4402 20571.1086 14459.5666 248.1954 -203172.8002 2579.7068 0.0000 0.0000 51797.3230 -109530.4596 297.6799 -161327.7825 -109173.9485 299.3420 -92.7575 -64.6493 761643.3351 -0.6883 -0.8332 LDB: ============= START OF LOAD BALANCING ============== 188.844 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 188.845 LDB: =============== DONE WITH MIGRATION ================ 188.846 LDB: ============= START OF LOAD BALANCING ============== 189.16 LDB: Largest compute 7044 load 0.032648 is 16.7% of average load 0.195368 LDB: Average compute 0.004375 is 2.2% of average load 0.195368 LDB: TIME 189.163 LOAD: AVG 0.195368 MAX 0.21734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.383 MB LDB: TIME 189.164 LOAD: AVG 0.195368 MAX 0.21734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.383 MB LDB: TIME 189.164 LOAD: AVG 0.195368 MAX 0.21734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 189.166 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 189.17 PRESSURE: 56400 273.747 -59.7377 26.2532 -59.738 202.682 49.3858 26.2536 49.3851 -25.9903 GPRESSURE: 56400 325.259 -24.3951 61.8651 -40.5881 262.148 62.812 -60.5234 84.7167 -57.8792 PRESSAVG: 56400 -5.86044 -18.6024 22.1228 -18.6024 -13.3626 -28.0183 22.1229 -28.0183 6.28006 GPRESSAVG: 56400 -4.95322 -20.1171 21.4804 -19.538 -13.6012 -28.4084 21.7635 -29.6386 5.69173 TIMING: 56400 CPU: 177.087, 0.00320755/step Wall: 177.087, 0.00320755/step, 4.40468 hours remaining, 227.117188 MB of memory in use. ENERGY: 56400 3972.9105 20546.3698 14482.8041 236.8869 -203738.4548 2994.3954 0.0000 0.0000 52154.7301 -109350.3579 299.7340 -161505.0881 -108993.0709 299.2262 150.1462 176.5092 760615.5069 -4.3143 -4.2876 PRESSURE: 56600 225.117 -103.942 -201.944 -103.942 23.3623 21.3504 -201.944 21.3509 149.596 GPRESSURE: 56600 244.31 -59.0746 -188.735 -155.945 40.4255 -60.6039 -187.147 -23.2092 205.689 PRESSAVG: 56600 66.8989 -18.1815 -36.5229 -18.1815 -55.3446 84.3135 -36.5229 84.3134 24.1936 GPRESSAVG: 56600 66.111 -17.9462 -37.9933 -18.3993 -54.3785 82.5689 -34.6676 85.7729 23.7964 TIMING: 56600 CPU: 177.712, 0.00312419/step Wall: 177.712, 0.00312419/step, 4.29003 hours remaining, 227.195312 MB of memory in use. ENERGY: 56600 4007.3051 20517.5296 14469.9394 242.7898 -203418.1156 2860.0209 0.0000 0.0000 52076.5563 -109243.9746 299.2847 -161320.5309 -108881.2734 299.4620 132.6916 163.4749 761911.6796 11.9160 11.8430 PRESSURE: 56800 -126.718 -48.6031 202.613 -48.6025 49.5563 -13.817 202.612 -13.8165 84.886 GPRESSURE: 56800 -138.831 -17.2955 94.3134 -59.034 145.951 61.9907 97.029 -16.8875 82.1836 PRESSAVG: 56800 -6.04056 -3.52612 -27.8713 -3.52616 -14.8736 -27.0169 -27.8713 -27.0168 2.44802 GPRESSAVG: 56800 -6.25691 -2.95687 -26.9296 -0.928541 -14.2157 -24.456 -29.0715 -26.8699 2.04763 TIMING: 56800 CPU: 178.337, 0.00312273/step Wall: 178.337, 0.00312273/step, 4.28786 hours remaining, 227.195312 MB of memory in use. ENERGY: 56800 4016.3405 20434.1842 14444.2808 254.2744 -203454.4353 2838.6435 0.0000 0.0000 52185.6256 -109281.0864 299.9115 -161466.7119 -108915.6264 299.9926 2.5747 29.7678 760453.3169 -6.1554 -6.1416 PRESSURE: 57000 -248.817 -22.2894 -72.8652 -22.2898 62.1887 207.58 -72.8652 207.579 -237.142 GPRESSURE: 57000 -201.402 -35.2385 -27.9706 -70.25 18.6461 261.941 0.155038 188.203 -160.458 PRESSAVG: 57000 18.2227 -47.6426 -20.6482 -47.6426 23.3105 28.892 -20.6482 28.892 -7.29216 GPRESSAVG: 57000 18.1117 -46.8311 -21.0863 -49.3816 22.9529 28.6242 -17.8082 29.1528 -6.59696 TIMING: 57000 CPU: 178.962, 0.00312517/step Wall: 178.962, 0.00312517/step, 4.29104 hours remaining, 227.195312 MB of memory in use. ENERGY: 57000 3993.6090 20491.8166 14408.7579 247.6791 -203301.5854 2690.3293 0.0000 0.0000 52092.6631 -109376.7302 299.3773 -161469.3934 -109014.8918 299.3323 -141.2569 -114.4048 762624.2896 11.4137 11.4892 PRESSURE: 57200 399.399 -25.7725 -226.307 -25.772 183.745 140.747 -226.307 140.747 -63.3981 GPRESSURE: 57200 397.857 12.9182 -215.711 -7.76108 211.817 39.5585 -186.292 121.863 -0.944495 PRESSAVG: 57200 39.3496 -25.548 -40.4051 -25.548 -27.0989 22.2976 -40.4051 22.2975 29.222 GPRESSAVG: 57200 40.0743 -27.1064 -38.5925 -25.4823 -26.6703 21.1285 -42.2425 20.918 28.4111 TIMING: 57200 CPU: 179.586, 0.0031189/step Wall: 179.586, 0.0031189/step, 4.28224 hours remaining, 227.195312 MB of memory in use. ENERGY: 57200 4060.0757 20386.3408 14444.2967 247.0345 -203571.2656 2799.0683 0.0000 0.0000 52133.5703 -109500.8793 299.6123 -161634.4496 -109139.6945 299.2698 173.2486 202.9098 761263.7169 13.8242 13.9384 PRESSURE: 57400 -81.3056 62.1138 -217.093 62.1129 -115.181 -20.9247 -217.094 -20.9239 -173.724 GPRESSURE: 57400 -133.684 -45.4285 -247.438 -130.437 -4.68244 -23.6891 -103.283 -103.47 -149.709 PRESSAVG: 57400 16.278 -28.9044 -26.2742 -28.9044 16.03 34.0997 -26.2743 34.0997 29.9706 GPRESSAVG: 57400 14.6756 -27.6755 -25.8644 -29.3763 16.402 35.7684 -26.4658 33.8462 31.0553 TIMING: 57400 CPU: 180.213, 0.00313675/step Wall: 180.213, 0.00313675/step, 4.30659 hours remaining, 227.195312 MB of memory in use. ENERGY: 57400 4039.4806 20624.2914 14395.1783 240.5712 -203626.0408 2764.6734 0.0000 0.0000 52178.4859 -109383.3601 299.8705 -161561.8460 -109026.1529 299.2817 -123.4036 -96.0252 761440.0680 20.7595 20.7110 PRESSURE: 57600 -235.735 -66.0766 89.5999 -66.0758 -158.032 -157.633 89.5995 -157.633 -39.2544 GPRESSURE: 57600 -158.662 -115.889 46.0794 -65.7733 -107.2 -48.2176 81.8302 -133.083 -92.3083 PRESSAVG: 57600 -9.95468 -68.8062 -8.85382 -68.8062 21.0602 23.2044 -8.85386 23.2043 -10.8947 GPRESSAVG: 57600 -8.95677 -69.0648 -9.96795 -68.5767 19.4108 24.1963 -7.63442 23.4862 -10.0827 TIMING: 57600 CPU: 180.835, 0.00310951/step Wall: 180.835, 0.00310951/step, 4.26901 hours remaining, 227.195312 MB of memory in use. ENERGY: 57600 3909.6211 20310.1579 14474.5897 249.8876 -203333.4596 2835.5251 0.0000 0.0000 52263.6648 -109290.0134 300.3600 -161553.6782 -108909.0643 299.5430 -144.3407 -119.3898 761621.5771 0.0703 0.1238 PRESSURE: 57800 -430.445 -93.7045 -55.5305 -93.7039 -91.2698 54.4837 -55.5317 54.4837 -172.387 GPRESSURE: 57800 -337.968 -80.2942 -103.514 -112.08 -106.687 102.462 -179.502 38.8973 -147.84 PRESSAVG: 57800 -10.263 13.0262 -58.3241 13.0261 26.9758 -20.2142 -58.3241 -20.2142 -6.49262 GPRESSAVG: 57800 -10.189 14.8238 -56.5989 12.4256 27.3683 -23.0155 -59.9424 -18.7708 -6.99167 TIMING: 57800 CPU: 181.458, 0.00311389/step Wall: 181.458, 0.00311389/step, 4.27485 hours remaining, 227.195312 MB of memory in use. ENERGY: 57800 4032.3719 20451.8696 14401.0051 263.7852 -203039.7915 2318.9165 0.0000 0.0000 52305.3909 -109266.4523 300.5998 -161571.8432 -108910.1100 300.1419 -231.3672 -197.4986 761595.4969 3.4067 3.3959 PRESSURE: 58000 -196.21 -19.4842 7.53385 -19.4846 -41.7046 -54.8508 7.53381 -54.8502 -125.544 GPRESSURE: 58000 -92.9974 -89.7316 20.5603 54.6096 -36.935 44.4748 14.1769 -38.6107 -132.55 PRESSAVG: 58000 -38.5698 36.4568 -10.9038 36.4568 20.9172 -6.12954 -10.9037 -6.12955 -1.53517 GPRESSAVG: 58000 -37.5352 36.2512 -11.8522 38.0062 19.7112 -3.79707 -12.1608 -8.60588 -1.39569 TIMING: 58000 CPU: 182.08, 0.00311119/step Wall: 182.08, 0.00311119/step, 4.27098 hours remaining, 227.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 58000 4058.0047 20458.4282 14403.3539 240.2231 -202676.2211 2352.8359 0.0000 0.0000 52043.7745 -109119.6008 299.0963 -161163.3754 -108760.9635 300.1129 -121.1527 -87.4941 761452.8804 -6.3959 -6.4066 PRESSURE: 58200 -119.979 46.9774 13.8164 46.9775 -208.568 105.807 13.8163 105.807 -377.216 GPRESSURE: 58200 -87.0501 -55.6461 50.9766 25.8386 -199.478 137.773 -90.8488 108.174 -318.41 PRESSAVG: 58200 -1.07651 18.7711 12.9941 18.7712 2.00901 -12.9332 12.994 -12.9332 20.6832 GPRESSAVG: 58200 -2.58925 17.1807 12.2506 20.13 2.73749 -13.5532 16.4732 -13.0344 22.0637 TIMING: 58200 CPU: 182.701, 0.00310719/step Wall: 182.701, 0.00310719/step, 4.2653 hours remaining, 227.195312 MB of memory in use. ENERGY: 58200 4005.6648 20557.1433 14384.1571 240.0278 -203308.9005 2673.7194 0.0000 0.0000 52170.1321 -109278.0560 299.8225 -161448.1882 -108918.2169 299.9317 -235.2542 -201.6459 761652.4943 7.2052 7.4040 PRESSURE: 58400 -303.012 10.2481 85.6124 10.248 -22.2223 2.69201 85.6132 2.69192 214.745 GPRESSURE: 58400 -230.602 49.337 58.3175 53.1383 -37.6084 -46.5692 85.4022 -30.6529 253.767 PRESSAVG: 58400 30.6657 50.0619 -17.3896 50.062 -3.37468 -59.9493 -17.3896 -59.9493 8.03331 GPRESSAVG: 58400 31.312 49.1462 -16.8281 48.2453 -3.17859 -59.6288 -20.3147 -59.2716 7.05365 TIMING: 58400 CPU: 183.325, 0.00311899/step Wall: 183.325, 0.00311899/step, 4.28134 hours remaining, 227.195312 MB of memory in use. ENERGY: 58400 3958.8213 20518.6121 14467.5988 235.8667 -203256.5747 2732.0136 0.0000 0.0000 52063.9814 -109279.6809 299.2124 -161343.6622 -108923.1196 299.5379 -36.8300 -4.8144 761315.0807 11.7748 11.7290 PRESSURE: 58600 -154.506 -136.45 66.8321 -136.449 -130.595 -208.751 66.8316 -208.75 -467.645 GPRESSURE: 58600 -106.041 -153.159 52.942 -47.9582 -142.275 -168.911 38.8929 -224.597 -422.376 PRESSAVG: 58600 43.1615 -11.5234 -85.4503 -11.5235 -29.656 -24.7293 -85.4503 -24.7293 -2.53617 GPRESSAVG: 58600 42.5056 -9.73398 -85.5296 -14.1504 -29.4646 -27.3569 -82.7785 -22.7028 -1.87595 TIMING: 58600 CPU: 183.949, 0.00311796/step Wall: 183.949, 0.00311796/step, 4.27975 hours remaining, 227.195312 MB of memory in use. ENERGY: 58600 3981.5739 20453.6601 14501.7382 237.7489 -203136.1906 2645.1269 0.0000 0.0000 51954.0820 -109362.2605 298.5808 -161316.3425 -109004.1416 299.4369 -250.9151 -223.5640 762975.3652 3.6564 3.7217 PRESSURE: 58800 -80.8117 125.374 -94.9704 125.374 -111.561 82.3382 -94.9705 82.3381 -96.2964 GPRESSURE: 58800 -34.0386 113.004 -47.3143 127.683 -152.286 96.5845 1.18491 -52.8271 -13.1088 PRESSAVG: 58800 79.6017 -2.21742 -18.7311 -2.21746 -70.1067 -32.5812 -18.7312 -32.5813 8.46854 GPRESSAVG: 58800 78.3112 -4.24528 -17.6089 0.306499 -68.9686 -31.0106 -20.5363 -33.0817 8.95642 TIMING: 58800 CPU: 184.574, 0.00312859/step Wall: 184.574, 0.00312859/step, 4.29416 hours remaining, 227.195312 MB of memory in use. ENERGY: 58800 3996.2655 20435.2341 14525.0415 241.5032 -203625.2706 2717.3984 0.0000 0.0000 52206.4834 -109503.3445 300.0314 -161709.8279 -109136.6479 298.9494 -96.2229 -66.4778 762452.0770 5.9879 6.0997 PRESSURE: 59000 -196.785 71.2291 81.1406 71.2297 42.1431 57.9326 81.1395 57.9323 -289.076 GPRESSURE: 59000 -188.259 16.6233 -11.459 23.0014 66.9253 42.695 -26.921 27.032 -232.258 PRESSAVG: 59000 -3.90624 29.9824 -12.0672 29.9824 3.4263 22.3539 -12.0673 22.3538 -4.31435 GPRESSAVG: 59000 -2.8167 29.668 -12.4076 29.9655 3.10452 24.0344 -10.8619 21.3442 -5.57788 TIMING: 59000 CPU: 185.203, 0.00314374/step Wall: 185.203, 0.00314374/step, 4.31478 hours remaining, 227.195312 MB of memory in use. ENERGY: 59000 4001.8416 20331.9022 14440.7280 244.2301 -202641.8464 2406.6520 0.0000 0.0000 51816.0294 -109400.4630 297.7874 -161216.4924 -109039.5024 299.4047 -147.9059 -117.8639 762797.6786 -1.5981 -1.7634 PRESSURE: 59200 -475.783 51.4881 -123.523 51.4878 65.9947 -37.3661 -123.523 -37.3667 -631.317 GPRESSURE: 59200 -410.813 95.5237 -164.276 95.1517 20.0398 -72.4398 -53.5447 -183.155 -554.007 PRESSAVG: 59200 -15.5565 -6.60806 -53.6175 -6.60812 21.3543 -63.5148 -53.6175 -63.5147 -10.9975 GPRESSAVG: 59200 -15.5691 -7.0094 -54.2576 -5.63504 21.3599 -65.3729 -54.6821 -63.1987 -10.6057 TIMING: 59200 CPU: 185.833, 0.00314879/step Wall: 185.833, 0.00314879/step, 4.32153 hours remaining, 227.195312 MB of memory in use. ENERGY: 59200 4035.6244 20461.4412 14524.2384 249.8398 -202858.9169 2391.8195 0.0000 0.0000 51759.6532 -109436.3003 297.4634 -161195.9536 -109080.5285 298.9257 -347.0350 -314.9267 762593.8325 -1.7332 -1.6050 PRESSURE: 59400 -28.5503 -2.73519 258.717 -2.73526 -44.9723 25.9735 258.717 25.9735 31.9841 GPRESSURE: 59400 -35.7397 92.9523 199.679 12.1329 -19.5789 -46.3618 250.118 90.8045 56.5055 PRESSAVG: 59400 -27.1489 -57.9865 3.72117 -57.9865 -15.2599 -26.1064 3.7212 -26.1063 4.80413 GPRESSAVG: 59400 -27.5466 -55.8152 4.63197 -60.1329 -14.7952 -26.0723 4.33977 -28.0797 4.45249 TIMING: 59400 CPU: 186.461, 0.00313834/step Wall: 186.461, 0.00313834/step, 4.30702 hours remaining, 227.195312 MB of memory in use. ENERGY: 59400 3963.7704 20583.7289 14472.0465 230.5313 -203136.7434 2522.9489 0.0000 0.0000 51920.5258 -109443.1916 298.3880 -161363.7174 -109084.7449 298.7595 -13.8461 0.3957 762580.2997 -12.5349 -12.6298 PRESSURE: 59600 42.5388 81.2948 -125.461 81.2959 120.75 -25.0802 -125.461 -25.08 37.0465 GPRESSURE: 59600 107.507 49.7318 -158.771 57.8007 161.581 -4.27365 202.051 -65.9412 26.4359 PRESSAVG: 59600 7.0566 -16.5604 -12.423 -16.5605 35.0769 -27.4968 -12.4231 -27.4968 6.52688 GPRESSAVG: 59600 7.52875 -17.3237 -13.7613 -17.4509 34.8867 -26.5424 -10.6684 -25.4104 6.24489 TIMING: 59600 CPU: 187.089, 0.00314429/step Wall: 187.089, 0.00314429/step, 4.31502 hours remaining, 227.195312 MB of memory in use. ENERGY: 59600 3992.9375 20343.7627 14419.7360 265.9471 -203317.2486 2632.7259 0.0000 0.0000 52230.4327 -109431.7068 300.1690 -161662.1395 -109066.3301 298.9595 66.7785 98.5080 763074.3913 16.2201 16.2201 PRESSURE: 59800 -97.8953 -23.5692 53.7252 -23.5686 -64.0251 -90.2194 53.724 -90.2196 381.459 GPRESSURE: 59800 -113.609 11.5878 125.145 -62.4987 -18.0541 -80.9602 -13.8946 -53.2104 436.225 PRESSAVG: 59800 -39.9101 -38.4846 25.7949 -38.4845 76.7627 43.0855 25.795 43.0855 -27.0143 GPRESSAVG: 59800 -40.3824 -37.0752 27.0487 -37.1145 76.5717 41.2567 25.2725 43.4526 -26.4412 TIMING: 59800 CPU: 187.721, 0.00315838/step Wall: 187.721, 0.00315838/step, 4.33417 hours remaining, 227.195312 MB of memory in use. ENERGY: 59800 3966.6256 20552.4862 14414.3358 244.3522 -203299.1588 2562.4950 0.0000 0.0000 52136.9897 -109421.8744 299.6320 -161558.8641 -109059.0026 299.4613 73.1794 101.5206 760975.8791 3.2794 3.2494 PRESSURE: 60000 145.588 212.549 51.0939 212.549 145.593 153.816 51.0933 153.815 435.623 GPRESSURE: 60000 158.859 233.752 26.4674 278.83 219.708 136.585 1.76972 115.46 417.854 PRESSAVG: 60000 -7.76498 -25.6079 -5.56135 -25.6079 3.25258 -73.6212 -5.56131 -73.6212 -2.15166 GPRESSAVG: 60000 -7.19759 -25.9307 -6.43607 -24.8996 3.57532 -73.5048 -7.28633 -74.0871 -2.69139 TIMING: 60000 CPU: 188.349, 0.00314/step Wall: 188.349, 0.00314/step, 4.30877 hours remaining, 227.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 60000 3951.3203 20381.8550 14514.9618 239.3638 -203646.6454 2654.0605 0.0000 0.0000 52353.3605 -109551.7236 300.8755 -161905.0841 -109184.0224 299.5074 242.2683 265.4736 760106.0869 -2.2214 -2.1046 PRESSURE: 60200 146.7 -262.459 249.167 -262.46 7.58537 -88.8625 249.167 -88.8634 -371.601 GPRESSURE: 60200 117.867 -310.242 259.659 -206.772 71.0041 -91.4802 234.252 -96.9597 -304.4 PRESSAVG: 60200 4.89356 -51.0297 6.82377 -51.0297 39.7388 -48.3739 6.8237 -48.3739 10.9445 GPRESSAVG: 60200 4.47642 -52.1393 7.988 -51.0718 39.0498 -45.5389 6.65667 -49.0015 12.6945 TIMING: 60200 CPU: 188.98, 0.00315661/step Wall: 188.98, 0.00315662/step, 4.3314 hours remaining, 227.195312 MB of memory in use. ENERGY: 60200 4003.3220 20369.8774 14439.1419 255.7070 -203237.0457 2570.4803 0.0000 0.0000 52215.1646 -109383.3524 300.0813 -161598.5170 -109010.9754 299.5312 -72.4386 -38.5096 762194.0452 18.5256 18.7403 LDB: ============= START OF LOAD BALANCING ============== 201.377 LDB: ============== END OF LOAD BALANCING =============== 201.377 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 201.379 LDB: ============= START OF LOAD BALANCING ============== 201.695 LDB: Largest compute 7025 load 0.031748 is 16.3% of average load 0.195334 LDB: Average compute 0.004369 is 2.2% of average load 0.195334 LDB: TIME 201.699 LOAD: AVG 0.195334 MAX 0.215781 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 224.805 MB LDB: TIME 201.699 LOAD: AVG 0.195334 MAX 0.215781 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.805 MB LDB: TIME 201.699 LOAD: AVG 0.195334 MAX 0.215781 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.805 MB LDB: ============== END OF LOAD BALANCING =============== 201.701 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 201.706 PRESSURE: 60400 -313.109 13.2756 -60.0743 13.2764 -190.167 -78.4557 -60.0743 -78.457 -331.496 GPRESSURE: 60400 -158.288 -47.333 -39.3175 -2.64717 -283.761 -77.0178 -52.2028 -184.165 -304.54 PRESSAVG: 60400 -18.3314 -37.6928 24.5055 -37.6928 1.48078 9.179 24.5055 9.17904 18.3061 GPRESSAVG: 60400 -18.6841 -38.7075 24.332 -39.627 2.31043 6.52577 25.4821 8.26105 17.3579 TIMING: 60400 CPU: 189.623, 0.00321203/step Wall: 189.623, 0.00321203/step, 4.40726 hours remaining, 225.371094 MB of memory in use. ENERGY: 60400 4000.7400 20512.3009 14476.6531 252.9902 -203301.9424 2494.1726 0.0000 0.0000 51844.2544 -109720.8312 297.9496 -161565.0856 -109369.0206 298.7880 -278.2570 -248.8629 761996.0367 0.4852 0.3281 PRESSURE: 60600 117.524 38.6633 147.124 38.6634 -41.9633 115.142 147.124 115.143 -85.5246 GPRESSURE: 60600 116.118 158.304 100.427 162.026 -6.46209 56.6853 40.7221 206.23 -45.1558 PRESSAVG: 60600 -29.7117 16.4001 8.77821 16.4001 26.9478 -9.33801 8.77821 -9.33802 1.34127 GPRESSAVG: 60600 -29.2705 18.1037 8.47511 17.8608 26.4283 -9.1604 8.00204 -7.76856 1.59393 TIMING: 60600 CPU: 190.25, 0.00313654/step Wall: 190.25, 0.00313654/step, 4.3035 hours remaining, 225.609375 MB of memory in use. ENERGY: 60600 4054.9011 20419.9468 14356.7246 246.6501 -203512.6127 2780.2802 0.0000 0.0000 52017.3072 -109636.8027 298.9442 -161654.1099 -109279.3326 299.1051 -3.3212 21.5000 762162.7297 -0.4742 -0.4161 PRESSURE: 60800 -197.14 7.25179 60.7528 7.252 244.608 -157.669 60.7533 -157.669 97.4645 GPRESSURE: 60800 -70.3693 -56.6934 93.719 61.8675 254.225 -72.5686 119.491 -136.926 45.9112 PRESSAVG: 60800 -14.4033 -17.9983 35.6938 -17.9983 -25.7021 -8.29753 35.6938 -8.29751 5.02719 GPRESSAVG: 60800 -14.7796 -20.5336 36.4308 -17.543 -25.4452 -7.78013 37.1652 -9.63771 5.54611 TIMING: 60800 CPU: 190.875, 0.00312176/step Wall: 190.875, 0.00312176/step, 4.28305 hours remaining, 225.609375 MB of memory in use. ENERGY: 60800 3990.6869 20521.1757 14450.5402 249.0699 -203634.0772 2760.5855 0.0000 0.0000 52120.9137 -109541.1054 299.5396 -161662.0192 -109176.4299 299.1489 48.3108 76.5889 761118.1153 -11.6928 -11.5596 PRESSURE: 61000 -230.161 -85.6419 -85.1714 -85.6429 76.9494 -63.4654 -85.1712 -63.4646 -471.152 GPRESSURE: 61000 -168.584 -76.3014 -31.5396 -68.6814 17.5936 -26.2574 -152.19 37.596 -365.842 PRESSAVG: 61000 11.4983 -65.0042 12.8471 -65.0042 10.4007 20.5076 12.847 20.5077 -7.44012 GPRESSAVG: 61000 13.4039 -62.4345 13.2292 -65.2386 9.16809 21.1905 11.2209 20.6547 -7.40012 TIMING: 61000 CPU: 191.499, 0.00312067/step Wall: 191.499, 0.00312067/step, 4.28139 hours remaining, 225.609375 MB of memory in use. ENERGY: 61000 4001.3194 20400.9606 14472.5154 246.0304 -203268.4232 2541.1715 0.0000 0.0000 51932.5690 -109673.8570 298.4572 -161606.4260 -109310.1148 298.8241 -208.1213 -172.2774 762694.8210 4.8196 5.0573 PRESSURE: 61200 -239.835 -282.591 -47.5603 -282.591 227.068 -27.7271 -47.5605 -27.7279 160.137 GPRESSURE: 61200 -103.596 -187.383 -20.9724 -206.566 229.521 -54.2057 -22.016 93.8343 116.161 PRESSAVG: 61200 25.8441 -54.7693 -34.6656 -54.7692 -10.9799 -4.48178 -34.6655 -4.4819 -29.2783 GPRESSAVG: 61200 25.1487 -56.8949 -35.7794 -54.257 -9.02382 -4.8928 -34.2382 -4.18579 -30.6861 TIMING: 61200 CPU: 192.125, 0.00313212/step Wall: 192.125, 0.00313212/step, 4.29692 hours remaining, 225.609375 MB of memory in use. ENERGY: 61200 3946.2968 20465.4860 14505.1689 247.1277 -203237.4907 2446.2578 0.0000 0.0000 52003.3950 -109623.7585 298.8642 -161627.1535 -109246.9793 299.0174 49.1232 80.6952 761697.5825 -4.8047 -4.8538 PRESSURE: 61400 123.642 -244.693 -173.004 -244.694 -293.571 4.874 -173.004 4.87293 223.888 GPRESSURE: 61400 87.2439 -151.207 -61.7257 -332.909 -232.826 -40.0499 -207.901 -69.085 274.21 PRESSAVG: 61400 -12.3337 -45.5819 -11.8111 -45.5819 5.66908 7.6885 -11.8111 7.6885 28.7038 GPRESSAVG: 61400 -13.0806 -43.9231 -10.1955 -46.4782 5.58823 6.54424 -14.1238 8.34188 29.3978 TIMING: 61400 CPU: 192.751, 0.00313132/step Wall: 192.751, 0.00313132/step, 4.29565 hours remaining, 225.609375 MB of memory in use. ENERGY: 61400 3929.2561 20382.6906 14427.6839 240.7875 -203175.5745 2272.8740 0.0000 0.0000 52253.6562 -109668.6262 300.3025 -161922.2824 -109304.8377 299.0894 17.9862 42.8759 760317.7974 7.3464 7.3018 PRESSURE: 61600 -345.141 27.311 40.7622 27.3124 -255.589 -256.991 40.7617 -256.992 95.271 GPRESSURE: 61600 -294.109 108.309 72.0295 28.5848 -245.873 -314.313 191.34 -55.9386 115.297 PRESSAVG: 61600 9.33254 -42.2967 50.9364 -42.2967 -12.5884 -18.3139 50.9364 -18.3139 -4.97708 GPRESSAVG: 61600 9.71157 -43.858 49.5121 -41.2765 -13.757 -18.6653 53.9184 -17.8923 -4.10151 TIMING: 61600 CPU: 193.376, 0.00312411/step Wall: 193.376, 0.00312412/step, 4.28559 hours remaining, 225.609375 MB of memory in use. ENERGY: 61600 3979.1413 20628.8654 14446.1504 261.3698 -203437.0703 2393.3185 0.0000 0.0000 52210.2616 -109517.9632 300.0531 -161728.2248 -109160.1833 299.3261 -168.4862 -141.5620 760589.1179 -2.7443 -2.7156 PRESSURE: 61800 107.588 -97.7048 307.305 -97.7053 -347.508 8.95772 307.306 8.95707 -192.885 GPRESSURE: 61800 87.8541 35.1296 344.046 -221.523 -288.187 77.504 219.684 -60.1257 -155.445 PRESSAVG: 61800 36.1503 -62.1853 55.4998 -62.1852 -9.80374 17.6989 55.4998 17.699 -18.7202 GPRESSAVG: 61800 35.8228 -60.387 57.0062 -62.7597 -8.92093 18.7547 55.3052 14.8551 -19.3963 TIMING: 61800 CPU: 194.001, 0.0031261/step Wall: 194.001, 0.0031261/step, 4.28814 hours remaining, 225.609375 MB of memory in use. ENERGY: 61800 4044.4198 20403.6005 14482.4891 258.4261 -203388.6869 2548.2799 0.0000 0.0000 52301.7829 -109349.6886 300.5791 -161651.4715 -108982.0926 299.7676 -144.2685 -118.5925 761987.2444 2.5421 2.5018 PRESSURE: 62000 -187.337 -170.5 -28.8491 -170.5 -67.1907 -75.6335 -28.8497 -75.6322 -154.788 GPRESSURE: 62000 -198.547 -123.248 -94.4293 -210.684 -43.8801 -54.5472 -166.362 -91.723 -74.6393 PRESSAVG: 62000 -18.2383 -22.626 38.2126 -22.626 11.7 -42.144 38.2127 -42.144 33.5806 GPRESSAVG: 62000 -19.2977 -23.9839 36.5736 -21.8667 11.9594 -42.8903 37.38 -43.8552 33.9956 TIMING: 62000 CPU: 194.627, 0.00312654/step Wall: 194.627, 0.00312654/step, 4.28858 hours remaining, 225.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 62000 3996.2693 20423.2416 14504.4970 233.4004 -203355.8109 2383.6722 0.0000 0.0000 52253.9721 -109560.7584 300.3043 -161814.7304 -109189.4412 299.4570 -136.4386 -105.6890 759498.1222 9.0141 8.8858 PRESSURE: 62200 -98.7923 -378.495 -43.7411 -378.495 -228.809 64.4847 -43.7401 64.4847 -77.8027 GPRESSURE: 62200 -182.907 -309.082 -28.6806 -385.498 -86.4621 62.8856 -9.65444 211.677 -79.0721 PRESSAVG: 62200 3.89491 -56.32 -27.7465 -56.3201 -77.9556 -18.5409 -27.7466 -18.5409 -15.654 GPRESSAVG: 62200 4.44786 -55.1948 -29.7307 -58.4977 -77.439 -17.6179 -25.4817 -16.5418 -16.3908 TIMING: 62200 CPU: 195.257, 0.00315072/step Wall: 195.257, 0.00315072/step, 4.32157 hours remaining, 225.609375 MB of memory in use. ENERGY: 62200 4068.7251 20520.5055 14511.4501 246.2738 -203291.9192 2399.7691 0.0000 0.0000 52033.1135 -109512.0820 299.0350 -161545.1955 -109153.0631 298.5337 -135.1348 -116.1471 759509.1567 -29.9049 -29.7940 PRESSURE: 62400 118.404 246.093 1.23788 246.093 -664.908 24.318 1.23736 24.3179 4.60564 GPRESSURE: 62400 107.141 229.368 -9.35706 326.395 -578.035 2.4615 85.83 71.4202 36.0173 PRESSAVG: 62400 58.964 -28.332 -18.4474 -28.332 -42.4163 -27.5684 -18.4475 -27.5683 21.3865 GPRESSAVG: 62400 59.0558 -28.2181 -16.775 -25.2586 -42.8687 -28.1897 -18.5394 -26.3512 21.8748 TIMING: 62400 CPU: 195.883, 0.00313097/step Wall: 195.883, 0.00313097/step, 4.2943 hours remaining, 225.609375 MB of memory in use. ENERGY: 62400 3963.3590 20377.6576 14470.6196 262.3723 -203056.1749 2495.0708 0.0000 0.0000 51945.8338 -109541.2618 298.5334 -161487.0956 -109175.7708 299.2079 -180.6325 -144.9591 761566.6843 12.6447 12.6873 PRESSURE: 62600 -336.663 7.67126 -7.14594 7.67086 -89.2522 95.1333 -7.14605 95.1331 147.775 GPRESSURE: 62600 -171.857 -35.1648 -104.479 -94.2747 -75.8096 141.65 36.6118 84.2989 65.8015 PRESSAVG: 62600 -1.75621 36.4857 49.0955 36.4857 -59.2333 -4.08737 49.0955 -4.08736 23.6294 GPRESSAVG: 62600 0.123437 34.9855 48.7596 34.6642 -61.0009 -6.46604 48.4434 -2.63368 23.3615 TIMING: 62600 CPU: 196.509, 0.00312897/step Wall: 196.509, 0.00312897/step, 4.29138 hours remaining, 225.609375 MB of memory in use. ENERGY: 62600 4025.2862 20474.8144 14458.1690 249.8551 -203722.3395 2917.1067 0.0000 0.0000 52051.7909 -109545.3172 299.1424 -161597.1081 -109176.3448 298.9230 -92.7134 -60.6215 761046.5299 -12.4533 -12.5053 PRESSURE: 62800 -451.642 88.6574 -48.9506 88.6574 -157.108 -103.194 -48.9507 -103.194 -335.256 GPRESSURE: 62800 -343.013 106.887 -48.4169 107.319 -284.752 -84.0683 -171.739 -33.9282 -231.303 PRESSAVG: 62800 20.5193 -56.1024 22.8165 -56.1024 -10.6654 -12.3731 22.8165 -12.3731 8.94125 GPRESSAVG: 62800 18.4075 -55.6098 21.1493 -56.5713 -9.38317 -10.163 23.5866 -11.6236 9.75934 TIMING: 62800 CPU: 197.137, 0.00313918/step Wall: 197.137, 0.00313918/step, 4.30521 hours remaining, 225.609375 MB of memory in use. ENERGY: 62800 4025.5823 20511.9977 14447.5348 272.8627 -202854.5935 2089.9150 0.0000 0.0000 52066.9703 -109439.7307 299.2296 -161506.7010 -109071.3358 299.3170 -314.6687 -286.3560 760172.4803 6.2650 6.2612 PRESSURE: 63000 -183.142 80.2118 108.269 80.2129 -171.343 -67.0637 108.269 -67.0633 296.441 GPRESSURE: 63000 -116.468 84.0291 74.5848 58.0435 -168.356 -82.4083 32.2067 -78.2942 308.986 PRESSAVG: 63000 8.0314 -20.3922 1.16215 -20.3922 40.3856 1.31832 1.16212 1.31834 12.287 GPRESSAVG: 63000 7.91827 -20.9114 2.87528 -20.4023 40.4499 0.909892 -0.500545 -1.84744 12.3929 TIMING: 63000 CPU: 197.762, 0.00312528/step Wall: 197.762, 0.00312528/step, 4.28597 hours remaining, 225.609375 MB of memory in use. ENERGY: 63000 3991.7520 20483.9120 14487.6486 254.1342 -203190.5335 2366.3079 0.0000 0.0000 52256.0875 -109350.6912 300.3165 -161606.7787 -108981.0696 299.8918 -19.3478 8.0539 759890.3468 20.2347 20.2537 PRESSURE: 63200 -182.295 103.91 -56.0421 103.909 -228.094 245.97 -56.0423 245.97 -256.815 GPRESSURE: 63200 -199.955 85.3184 -112.222 52.8239 -113.216 151.149 -50.8415 87.3398 -267.737 PRESSAVG: 63200 8.45505 -13.5996 17.7171 -13.5996 -0.0267576 41.056 17.7171 41.0561 8.41904 GPRESSAVG: 63200 9.2551 -11.3639 19.3691 -12.8616 0.738565 40.8541 18.6205 40.4339 7.33517 TIMING: 63200 CPU: 198.386, 0.00312185/step Wall: 198.386, 0.00312185/step, 4.28109 hours remaining, 225.609375 MB of memory in use. ENERGY: 63200 4026.7702 20598.8901 14451.7573 239.1517 -203137.0860 2352.4269 0.0000 0.0000 51858.3614 -109609.7284 298.0307 -161468.0898 -109252.6736 299.6978 -222.4013 -193.6362 761248.5735 5.6158 5.7763 PRESSURE: 63400 345.535 -39.159 -9.47996 -39.1594 212.437 -57.3628 -9.47915 -57.3624 465.143 GPRESSURE: 63400 410.061 -35.7802 -100.124 28.2177 151.646 -12.5765 71.8864 -108.743 564.423 PRESSAVG: 63400 -4.72786 30.5371 4.38379 30.5371 0.044006 32.3252 4.3837 32.3253 19.5532 GPRESSAVG: 63400 -5.35799 27.8793 1.7012 31.3211 -0.79032 31.9966 3.86736 35.4796 21.0284 TIMING: 63400 CPU: 199.009, 0.0031131/step Wall: 199.009, 0.0031131/step, 4.26892 hours remaining, 225.609375 MB of memory in use. ENERGY: 63400 4018.8816 20506.2961 14462.7948 246.9835 -203826.2014 3013.7601 0.0000 0.0000 51979.6594 -109597.8259 298.7278 -161577.4853 -109242.6085 299.0740 341.0384 375.3764 759943.2508 4.9565 4.9600 PRESSURE: 63600 475.326 66.9361 342.983 66.9357 -30.1556 -81.2711 342.984 -81.2707 81.7979 GPRESSURE: 63600 312.904 51.6417 402.036 20.1033 139.473 -59.4745 215.279 -144.58 163.239 PRESSAVG: 63600 15.8666 -30.5444 4.55711 -30.5445 -53.7748 -14.3252 4.55717 -14.3252 -1.93521 GPRESSAVG: 63600 16.4689 -29.0076 6.78626 -33.3656 -52.7678 -14.417 3.26427 -16.2009 -3.45011 TIMING: 63600 CPU: 199.632, 0.00311537/step Wall: 199.632, 0.00311537/step, 4.27186 hours remaining, 225.609375 MB of memory in use. ENERGY: 63600 3993.4482 20505.1494 14479.8905 245.1483 -203268.2305 2573.7069 0.0000 0.0000 51871.0187 -109599.8684 298.1035 -161470.8871 -109244.1496 298.8611 175.6561 205.2053 760651.6124 -13.2812 -13.2497 PRESSURE: 63800 -45.3036 -72.8633 113.065 -72.8629 200.5 -45.4286 113.065 -45.428 51.9242 GPRESSURE: 63800 21.8795 19.6525 89.2656 -160.206 224.908 10.3531 71.0449 -121.184 50.658 PRESSAVG: 63800 17.3888 -17.3521 -3.4119 -17.3521 11.2661 3.88837 -3.41195 3.88844 20.1716 GPRESSAVG: 63800 16.2912 -18.8939 -4.53869 -15.2917 11.7358 2.56808 -2.41429 6.09399 20.2826 TIMING: 63800 CPU: 200.256, 0.00312012/step Wall: 200.256, 0.00312012/step, 4.27821 hours remaining, 225.609375 MB of memory in use. ENERGY: 63800 3923.8037 20549.9679 14472.1249 243.1146 -203772.2363 2822.5478 0.0000 0.0000 52165.0890 -109595.5885 299.7935 -161760.6775 -109236.0472 299.1127 69.0403 99.1484 760181.4952 16.2755 16.1032 PRESSURE: 64000 -129.009 -62.4276 -157.518 -62.4269 -81.2848 -58.0789 -157.518 -58.0789 -47.305 GPRESSURE: 64000 -73.5681 -51.3845 -198.625 32.9584 40.9281 -17.5325 -19.8634 -55.6439 -120.924 PRESSAVG: 64000 17.0859 -8.6452 -27.1511 -8.64521 -47.5211 10.2214 -27.1511 10.2214 -34.9255 GPRESSAVG: 64000 18.2594 -9.33322 -25.4244 -8.88676 -49.6657 12.9274 -27.3449 7.60459 -33.7848 TIMING: 64000 CPU: 200.88, 0.00312032/step Wall: 200.88, 0.00312033/step, 4.27831 hours remaining, 225.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 64000 4006.3247 20572.7509 14454.4388 241.8266 -203283.1006 2444.7279 0.0000 0.0000 52063.7785 -109499.2532 299.2113 -161563.0316 -109129.0027 298.8943 -85.8663 -51.1879 761995.5232 -21.7869 -21.7304 PRESSURE: 64200 171.598 126.306 -316.841 126.306 -104.561 189.405 -316.841 189.404 -318.586 GPRESSURE: 64200 131.404 106.147 -286.351 174.534 -7.57142 218.977 -319.13 115.205 -275.81 PRESSAVG: 64200 -1.76991 6.55159 -15.5407 6.55162 -21.0667 20.1731 -15.5407 20.1731 0.831844 GPRESSAVG: 64200 -3.85048 8.97374 -16.4841 5.85722 -19.6016 17.9066 -16.8119 20.3488 1.52014 TIMING: 64200 CPU: 201.51, 0.00314823/step Wall: 201.51, 0.00314823/step, 4.3164 hours remaining, 225.593750 MB of memory in use. ENERGY: 64200 3942.2180 20517.2042 14483.1230 249.4628 -203324.6735 2554.4724 0.0000 0.0000 52158.3686 -109419.8245 299.7549 -161578.1931 -109052.7869 299.2649 -83.8495 -50.6590 763178.5245 -7.3349 -7.3106 LDB: ============= START OF LOAD BALANCING ============== 213.907 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 213.907 LDB: =============== DONE WITH MIGRATION ================ 213.909 LDB: ============= START OF LOAD BALANCING ============== 214.224 LDB: Largest compute 7075 load 0.031265 is 16.0% of average load 0.195378 LDB: Average compute 0.004372 is 2.2% of average load 0.195378 LDB: TIME 214.227 LOAD: AVG 0.195378 MAX 0.216294 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.891 MB LDB: TIME 214.228 LOAD: AVG 0.195378 MAX 0.216294 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.039 MB LDB: TIME 214.228 LOAD: AVG 0.195378 MAX 0.216294 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 214.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 214.234 PRESSURE: 64400 312.133 40.429 -117.682 40.4288 148.422 -169.875 -117.683 -169.875 231.368 GPRESSURE: 64400 261.858 8.09015 -162.209 -2.96899 192.476 -103.202 -100.965 -165.984 323.784 PRESSAVG: 64400 -10.8729 6.77299 -75.2631 6.77301 -7.73911 5.94514 -75.2631 5.94519 -35.5283 GPRESSAVG: 64400 -9.46783 5.60448 -75.2575 7.80102 -8.69694 6.02954 -73.3853 6.0774 -36.4418 TIMING: 64400 CPU: 202.152, 0.00321025/step Wall: 202.152, 0.00321025/step, 4.40126 hours remaining, 226.195312 MB of memory in use. ENERGY: 64400 3923.2609 20666.8696 14486.6351 234.8938 -203418.2518 2641.4352 0.0000 0.0000 52223.2041 -109241.9531 300.1275 -161465.1573 -108875.7072 299.3361 230.6410 259.3726 760579.9169 -18.0468 -18.2022 PRESSURE: 64600 -100.084 72.5727 -35.0679 72.5725 -164.854 -128.552 -35.0683 -128.553 -302.387 GPRESSURE: 64600 -40.3955 78.0819 -107.745 96.4569 -83.5511 -97.2888 50.0181 -111.236 -348.931 PRESSAVG: 64600 -1.30809 28.9676 -40.7076 28.9676 31.8607 -22.5958 -40.7076 -22.5957 8.3416 GPRESSAVG: 64600 -1.32702 27.2953 -41.9235 28.86 32.0073 -21.0408 -40.2213 -21.2286 7.92804 TIMING: 64600 CPU: 202.781, 0.00314583/step Wall: 202.781, 0.00314583/step, 4.31276 hours remaining, 226.269531 MB of memory in use. ENERGY: 64600 4028.8566 20637.2591 14466.2771 250.7452 -203337.3805 2703.0421 0.0000 0.0000 52074.5040 -109176.6965 299.2729 -161251.2005 -108811.3716 300.1391 -189.1082 -157.6259 763305.1219 12.9647 12.8694 PRESSURE: 64800 -144.699 -4.26326 0.917287 -4.26309 -69.8938 199.273 0.91663 199.272 -59.0147 GPRESSURE: 64800 -141.524 -123.195 -19.9987 1.4371 -107.919 204.368 124.13 174.558 28.9987 PRESSAVG: 64800 -39.3635 63.914 -69.6637 63.914 57.7664 43.652 -69.6637 43.6519 -8.31736 GPRESSAVG: 64800 -40.0114 65.8235 -68.3963 61.2193 56.6489 41.8516 -70.9956 42.509 -6.92901 TIMING: 64800 CPU: 203.41, 0.00314765/step Wall: 203.41, 0.00314765/step, 4.31508 hours remaining, 226.269531 MB of memory in use. ENERGY: 64800 3972.0734 20517.1120 14486.0322 248.8462 -202965.5386 2382.2808 0.0000 0.0000 52178.3954 -109180.7987 299.8700 -161359.1942 -108816.6013 299.6685 -91.2024 -73.4814 762055.9743 3.3619 3.2361 PRESSURE: 65000 99.5835 -131.798 34.4854 -131.799 -242.684 -47.9898 34.4855 -47.9891 48.3913 GPRESSURE: 65000 112.019 -116.259 1.96375 -64.0356 -94.4149 39.3962 133.366 -86.0917 -10.3147 PRESSAVG: 65000 6.81385 -56.2146 -4.47055 -56.2146 -44.5241 49.5345 -4.47059 49.5345 -21.815 GPRESSAVG: 65000 6.57952 -54.7358 -3.46797 -54.8508 -42.7485 48.9124 -4.68728 49.4651 -23.1787 TIMING: 65000 CPU: 204.037, 0.00313423/step Wall: 204.037, 0.00313423/step, 4.2965 hours remaining, 226.269531 MB of memory in use. ENERGY: 65000 4056.1714 20566.6117 14441.2004 243.3115 -203404.3129 2611.0298 0.0000 0.0000 52068.0125 -109417.9756 299.2356 -161485.9881 -109059.1362 299.7768 -31.5696 2.4297 762018.4486 -19.8417 -19.7826 PRESSURE: 65200 385.701 -37.6194 -47.2404 -37.6176 103.253 22.4359 -47.2396 22.436 -59.1954 GPRESSURE: 65200 336.516 -82.6261 -112.642 31.0525 212.819 11.282 -138.983 91.3078 -20.2391 PRESSAVG: 65200 35.756 19.975 15.891 19.975 -8.89919 0.833574 15.891 0.833597 1.72235 GPRESSAVG: 65200 35.4275 18.2783 14.8338 20.8977 -8.30847 1.87621 13.5808 0.195586 1.59606 TIMING: 65200 CPU: 204.664, 0.00313442/step Wall: 204.664, 0.00313442/step, 4.29659 hours remaining, 226.269531 MB of memory in use. ENERGY: 65200 4004.7296 20460.2855 14454.1731 248.2330 -203679.2704 2754.7596 0.0000 0.0000 52333.6052 -109423.4844 300.7619 -161757.0897 -109059.4824 299.8333 143.2529 176.3653 761838.6274 9.5264 9.5717 PRESSURE: 65400 -32.0305 223.328 93.8657 223.328 201.804 -37.961 93.8655 -37.9621 296.112 GPRESSURE: 65400 55.2218 143.108 66.5902 184.505 188.938 -18.2988 142.336 -61.5394 304.459 PRESSAVG: 65400 -37.4793 -14.2683 -12.8424 -14.2683 33.5093 -2.89404 -12.8424 -2.89406 -9.42863 GPRESSAVG: 65400 -36.6642 -15.9809 -13.944 -13.388 31.9317 -2.45509 -10.6812 -3.38261 -8.19033 TIMING: 65400 CPU: 205.287, 0.00311747/step Wall: 205.287, 0.00311747/step, 4.27318 hours remaining, 226.269531 MB of memory in use. ENERGY: 65400 4010.7377 20741.5635 14401.7755 243.1808 -203770.8486 2708.9244 0.0000 0.0000 52286.7592 -109377.9075 300.4927 -161664.6667 -109024.0727 299.9007 155.2952 182.8730 760158.8442 -4.4662 -4.3076 PRESSURE: 65600 -361.212 -7.28094 -26.8823 -7.28088 -339.267 12.2918 -26.8814 12.292 -83.6556 GPRESSURE: 65600 -287.373 159.952 -48.3991 -112.089 -387.602 5.77295 -4.3401 -27.4065 -7.90133 PRESSAVG: 65600 41.7386 -28.113 -87.8372 -28.1131 5.78395 -33.3936 -87.8373 -33.3937 -5.81506 GPRESSAVG: 65600 42.8925 -26.5272 -87.4619 -28.2312 5.39212 -34.5287 -84.6556 -33.7372 -6.19101 TIMING: 65600 CPU: 205.914, 0.00313375/step Wall: 205.914, 0.00313375/step, 4.29533 hours remaining, 226.269531 MB of memory in use. ENERGY: 65600 4074.2494 20464.9929 14460.4883 241.8551 -203470.4630 2516.5788 0.0000 0.0000 52111.1844 -109601.1142 299.4837 -161712.2986 -109231.0794 299.7248 -261.3782 -227.6255 761762.4645 13.9025 14.0312 PRESSURE: 65800 -500.57 -89.1159 -246.786 -89.116 27.3278 -48.8494 -246.786 -48.8493 -89.6079 GPRESSURE: 65800 -378.22 -55.3363 -289.672 -100.287 2.46566 29.8637 -246.437 48.2509 -105.128 PRESSAVG: 65800 45.2725 13.7229 1.89781 13.7229 -42.6652 1.89769 1.89779 1.89769 3.77559 GPRESSAVG: 65800 44.7903 13.9609 2.78722 12.7051 -42.5017 4.40229 0.811053 3.40304 3.88929 TIMING: 65800 CPU: 206.544, 0.00315046/step Wall: 206.544, 0.00315046/step, 4.31806 hours remaining, 226.269531 MB of memory in use. ENERGY: 65800 4030.3870 20553.7814 14436.0188 244.4937 -203586.6927 2511.3467 0.0000 0.0000 52121.1527 -109689.5125 299.5410 -161810.6652 -109325.3147 299.4330 -187.6166 -160.2941 760360.9677 2.1276 2.0593 PRESSURE: 66000 -275.37 65.6521 33.9432 65.6525 -203.327 -122.496 33.9435 -122.498 -175.715 GPRESSURE: 66000 -304.482 -37.0835 37.4451 128.482 -128.23 -175.753 44.9343 -54.5417 -142.862 PRESSAVG: 66000 -18.9696 -22.0279 10.7924 -22.0279 1.10473 -5.29063 10.7924 -5.29056 13.928 GPRESSAVG: 66000 -19.7414 -21.8724 10.0639 -22.6419 1.49122 -7.5962 8.78204 -4.10583 13.9667 TIMING: 66000 CPU: 207.174, 0.00314964/step Wall: 207.174, 0.00314964/step, 4.31676 hours remaining, 226.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 66000 4111.1646 20491.5761 14412.3678 222.0968 -203523.5144 2452.1169 0.0000 0.0000 52123.1630 -109711.0294 299.5525 -161834.1923 -109343.1022 299.5879 -218.1374 -191.8582 761359.6049 -1.3123 -1.4278 PRESSURE: 66200 -283.516 148.088 247.265 148.089 -45.6407 193.95 247.265 193.951 -116.414 GPRESSURE: 66200 -211.478 124.541 243.182 110.939 5.25936 50.989 336.452 210.003 -148.748 PRESSAVG: 66200 4.41594 -0.91671 2.72107 -0.916702 -23.6354 11.7821 2.72111 11.7822 13.7287 GPRESSAVG: 66200 5.03125 -1.22122 3.11016 -0.288285 -24.552 11.4235 2.59231 12.5132 14.269 TIMING: 66200 CPU: 207.799, 0.00312148/step Wall: 207.799, 0.00312148/step, 4.27799 hours remaining, 226.277344 MB of memory in use. ENERGY: 66200 4042.0449 20665.9502 14402.3528 254.7730 -203340.6141 2344.6117 0.0000 0.0000 52002.8820 -109627.9995 298.8613 -161630.8815 -109268.2526 299.6470 -148.5234 -118.3225 762130.0656 -1.8303 -1.7506 PRESSURE: 66400 20.0458 -48.9963 -92.0606 -48.9966 -368.777 -31.8781 -92.0607 -31.8776 -523.452 GPRESSURE: 66400 -9.43416 -28.5857 -119.118 -17.4908 -275.386 -2.5104 -115.065 65.9524 -516.461 PRESSAVG: 66400 20.0626 -25.2325 -39.9024 -25.2325 11.831 31.6477 -39.9024 31.6477 -16.2501 GPRESSAVG: 66400 19.7874 -23.3033 -40.9224 -26.816 11.9855 33.2701 -37.904 26.7475 -16.1743 TIMING: 66400 CPU: 208.427, 0.00314412/step Wall: 208.427, 0.00314412/step, 4.30885 hours remaining, 226.269531 MB of memory in use. ENERGY: 66400 4014.5580 20557.0142 14369.1593 251.8769 -203651.4298 2363.3881 0.0000 0.0000 52213.6724 -109881.7608 300.0727 -162095.4332 -109510.9973 298.7586 -290.7278 -267.0939 761486.0473 5.2145 5.1996 PRESSURE: 66600 -239.963 -54.1909 -248.515 -54.1923 -321.648 -7.31206 -248.515 -7.31228 -305.204 GPRESSURE: 66600 -189.443 -26.8729 -127.128 -61.9225 -326.55 87.6803 -238.494 -10.162 -261.643 PRESSAVG: 66600 23.7799 -4.38699 -46.5918 -4.38702 21.6599 -7.99039 -46.5918 -7.99044 8.78686 GPRESSAVG: 66600 24.3566 -5.95208 -44.8812 -3.08402 23.4085 -7.41119 -46.4314 -6.80218 6.73027 TIMING: 66600 CPU: 209.058, 0.00315393/step Wall: 209.058, 0.00315393/step, 4.32211 hours remaining, 226.269531 MB of memory in use. ENERGY: 66600 3978.2877 20523.3496 14428.1456 228.2229 -203653.8130 2822.0576 0.0000 0.0000 51681.8615 -109991.8881 297.0164 -161673.7497 -109628.5341 298.1837 -288.9383 -259.2122 761404.5438 18.0755 18.1651 PRESSURE: 66800 -170.264 7.12378 -54.0147 7.12414 -278.223 -106.132 -54.0143 -106.132 -119.546 GPRESSURE: 66800 -99.5469 -58.7021 -44.6126 21.002 -266.587 -64.2473 -40.0966 -20.5261 -126.689 PRESSAVG: 66800 4.17736 -17.7776 7.14082 -17.7775 -41.6528 11.7631 7.14079 11.763 9.19258 GPRESSAVG: 66800 3.79037 -16.4713 5.79052 -17.6915 -42.8309 11.981 6.06022 12.161 10.7775 TIMING: 66800 CPU: 209.687, 0.00314529/step Wall: 209.687, 0.00314529/step, 4.3101 hours remaining, 226.269531 MB of memory in use. ENERGY: 66800 4062.8193 20459.9701 14439.9491 242.4401 -203472.3200 2506.4322 0.0000 0.0000 51692.2601 -110068.4491 297.0761 -161760.7092 -109702.3408 298.1882 -189.3442 -164.2742 761499.8773 -9.4276 -9.4210 PRESSURE: 67000 -121.994 44.0214 163.014 44.021 -236.898 -132.596 163.014 -132.596 327.97 GPRESSURE: 67000 -74.5569 3.09016 59.3712 -48.4801 -158.769 -192.824 138.066 -37.0175 276.851 PRESSAVG: 67000 76.9405 1.66372 -34.2063 1.66372 -6.67394 3.07686 -34.2062 3.07694 4.20836 GPRESSAVG: 67000 76.0169 1.43591 -34.3162 0.114582 -6.0395 -1.36304 -34.0076 4.17202 4.8642 TIMING: 67000 CPU: 210.315, 0.00314073/step Wall: 210.315, 0.00314073/step, 4.30367 hours remaining, 226.269531 MB of memory in use. ENERGY: 67000 3969.7699 20397.5523 14476.7952 257.4232 -203796.4817 2849.4550 0.0000 0.0000 51908.1376 -109937.3485 298.3168 -161845.4861 -109588.1595 298.9401 -10.3072 14.5086 759509.8651 24.8250 24.9472 PRESSURE: 67200 130.606 -13.0309 167.283 -13.0303 35.4278 17.7225 167.282 17.7217 183.965 GPRESSURE: 67200 199.7 -17.2337 193.746 90.9866 31.7226 81.2259 192.375 76.2608 227.605 PRESSAVG: 67200 13.6883 -5.66917 11.8077 -5.66923 1.71605 20.7477 11.8077 20.7477 9.63945 GPRESSAVG: 67200 15.1771 -5.12468 12.7462 -4.70564 0.186731 25.1748 10.6656 20.7666 10.2089 TIMING: 67200 CPU: 210.938, 0.00311419/step Wall: 210.938, 0.00311419/step, 4.26713 hours remaining, 226.269531 MB of memory in use. ENERGY: 67200 3994.7339 20358.2936 14415.5542 240.5138 -203747.5981 2914.1593 0.0000 0.0000 51967.5597 -109856.7837 298.6583 -161824.3435 -109490.9421 298.9016 116.6663 153.0093 760588.2177 8.3479 8.5242 PRESSURE: 67400 -239.889 259.958 34.9689 259.958 -104.854 181.594 34.9683 181.592 -43.8141 GPRESSURE: 67400 -281.029 219.005 -63.3222 147.222 -75.3397 189.898 76.3456 70.1627 59.1853 PRESSAVG: 67400 1.38656 27.7069 43.8459 27.707 6.87667 0.807832 43.8459 0.807847 -41.7914 GPRESSAVG: 67400 0.834043 27.4172 41.9795 28.2629 6.92199 -0.800712 45.2724 -0.270058 -41.543 TIMING: 67400 CPU: 211.562, 0.00311842/step Wall: 211.562, 0.00311842/step, 4.27276 hours remaining, 226.269531 MB of memory in use. ENERGY: 67400 4030.8301 20324.1871 14438.1744 229.6887 -203408.8017 2414.8233 0.0000 0.0000 52064.5033 -109906.5949 299.2154 -161971.0982 -109545.9433 298.6634 -129.5191 -99.0611 761099.5371 -11.1761 -11.2623 PRESSURE: 67600 19.3754 36.9186 138.114 36.9194 87.3481 -306.112 138.113 -306.112 465.802 GPRESSURE: 67600 51.633 16.7547 172.117 34.589 187.101 -306.397 121.723 -76.7604 419.356 PRESSAVG: 67600 8.04137 6.64804 60.0145 6.64812 26.9275 -44.614 60.0146 -44.6141 7.09455 GPRESSAVG: 67600 7.87201 4.30579 61.0125 6.94444 28.9256 -44.9203 58.0617 -44.5601 4.9281 TIMING: 67600 CPU: 212.186, 0.00312252/step Wall: 212.186, 0.00312252/step, 4.27821 hours remaining, 226.269531 MB of memory in use. ENERGY: 67600 3982.0058 20416.9921 14449.8389 246.1867 -203960.0310 2938.6808 0.0000 0.0000 51992.4043 -109933.9223 298.8011 -161926.3266 -109572.4173 298.4605 190.8417 219.3633 761602.0909 14.0211 13.9086 PRESSURE: 67800 -214.613 29.4123 -387.352 29.4121 -291.98 98.764 -387.353 98.7635 -65.0617 GPRESSURE: 67800 -192.616 12.0651 -382.822 56.0991 -251.541 -6.4139 -351.158 153.243 -47.9956 PRESSAVG: 67800 1.239 -44.0426 -36.4062 -44.0425 -23.7456 -54.5827 -36.4062 -54.5827 6.85761 GPRESSAVG: 67800 0.951612 -41.8366 -35.3997 -44.3263 -24.4216 -55.335 -35.3244 -54.4818 8.09915 TIMING: 67800 CPU: 212.813, 0.00313231/step Wall: 212.813, 0.00313231/step, 4.29144 hours remaining, 226.269531 MB of memory in use. ENERGY: 67800 4000.6235 20490.0282 14389.7728 253.5614 -203487.0891 2357.6695 0.0000 0.0000 51964.2263 -110031.2073 298.6391 -161995.4336 -109661.4420 298.0975 -190.5514 -164.0507 759445.1388 -5.2163 -5.1236 PRESSURE: 68000 109.926 -40.2519 -89.5859 -40.2518 -331.969 -352.688 -89.5855 -352.688 -209.216 GPRESSURE: 68000 160.686 1.40472 -40.5846 26.0594 -325.904 -342.183 -66.107 -296.226 -202.679 PRESSAVG: 68000 -3.53892 16.9015 -46.7011 16.9015 27.7824 -66.4162 -46.7011 -66.4162 19.8477 GPRESSAVG: 68000 -2.49191 17.368 -47.8995 18.0893 26.7299 -65.1818 -46.9713 -66.4716 19.7005 TIMING: 68000 CPU: 213.438, 0.00312669/step Wall: 213.438, 0.0031267/step, 4.28357 hours remaining, 226.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 68000 3952.5990 20441.8087 14483.0132 237.1880 -203661.1580 2616.6400 0.0000 0.0000 51823.8790 -110106.0302 297.8325 -161929.9091 -109741.2489 298.1564 -143.7531 -122.6326 760302.7739 14.6971 14.6462 PRESSURE: 68200 -178.56 -104.573 38.1608 -104.572 -201.048 6.53644 38.1614 6.53605 -149.436 GPRESSURE: 68200 -134.779 -123.282 27.7949 -63.3124 -112.386 17.0159 101.045 -208.236 -177.264 PRESSAVG: 68200 56.1143 0.396376 0.397832 0.396416 -66.3192 -22.8774 0.397806 -22.8773 -11.4114 GPRESSAVG: 68200 55.1932 0.119856 2.91274 0.00988322 -65.9223 -22.6362 -0.679837 -23.2942 -10.2315 TIMING: 68200 CPU: 214.062, 0.00311998/step Wall: 214.062, 0.00311998/step, 4.2742 hours remaining, 226.269531 MB of memory in use. ENERGY: 68200 4011.6689 20264.8032 14531.6912 222.3908 -203630.2051 2574.1696 0.0000 0.0000 51908.1800 -110117.3014 298.3170 -162025.4814 -109747.5681 298.2125 -176.3478 -141.4766 760818.0811 -7.2055 -6.9868 LDB: ============= START OF LOAD BALANCING ============== 226.458 LDB: ============== END OF LOAD BALANCING =============== 226.458 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 226.46 LDB: ============= START OF LOAD BALANCING ============== 226.774 LDB: Largest compute 7067 load 0.033186 is 17.0% of average load 0.195418 LDB: Average compute 0.004375 is 2.2% of average load 0.195418 LDB: TIME 226.778 LOAD: AVG 0.195418 MAX 0.217134 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 225.754 MB LDB: TIME 226.778 LOAD: AVG 0.195418 MAX 0.217134 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.754 MB LDB: TIME 226.778 LOAD: AVG 0.195418 MAX 0.217134 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.754 MB LDB: ============== END OF LOAD BALANCING =============== 226.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 226.785 PRESSURE: 68400 -24.3426 -187.261 218.906 -187.261 27.1526 24.1563 218.905 24.1567 289.382 GPRESSURE: 68400 62.4293 -52.674 178.293 -102.42 78.187 -35.8277 146.484 25.0261 241.371 PRESSAVG: 68400 21.1316 2.34011 8.91346 2.34014 6.10287 8.71553 8.91346 8.71553 6.42818 GPRESSAVG: 68400 23.2856 3.11283 6.19258 1.07302 7.04033 7.38531 10.7482 11.5922 4.27213 TIMING: 68400 CPU: 214.702, 0.00319933/step Wall: 214.702, 0.00319933/step, 4.38273 hours remaining, 226.000000 MB of memory in use. ENERGY: 68400 4032.4306 20490.1070 14482.4927 256.8140 -204066.0343 2838.7780 0.0000 0.0000 52061.8297 -109903.5823 299.2001 -161965.4120 -109550.8542 298.6948 97.3972 127.3291 759842.1169 11.2209 11.5327 PRESSURE: 68600 -155.873 -31.2003 -102.728 -31.2 -407.264 160.054 -102.728 160.053 -721.548 GPRESSURE: 68600 -203.203 35.7695 -101.66 -111.085 -335.73 99.605 -72.0284 106.908 -678.915 PRESSAVG: 68600 14.6684 -24.2111 -29.3749 -24.211 -0.185424 -0.541182 -29.3748 -0.541148 6.42203 GPRESSAVG: 68600 13.2016 -27.5785 -28.1982 -22.3676 0.473721 0.0192736 -32.2251 -2.61119 7.14012 TIMING: 68600 CPU: 215.326, 0.00311799/step Wall: 215.326, 0.00311799/step, 4.27113 hours remaining, 226.257812 MB of memory in use. ENERGY: 68600 4076.0382 20508.9023 14457.8970 263.7397 -203387.2068 2273.2950 0.0000 0.0000 51853.7209 -109953.6138 298.0040 -161807.3347 -109600.4039 298.3188 -428.2284 -405.9491 761083.9408 6.9683 6.9385 PRESSURE: 68800 -9.00577 -67.3529 -58.7409 -67.3533 96.4585 108.326 -58.7408 108.327 -60.5637 GPRESSURE: 68800 -17.2987 -49.2511 -104.364 -141.051 103.621 136.346 77.617 130.34 1.09298 PRESSAVG: 68800 22.3242 38.1102 -6.99538 38.1102 -22.0828 3.5837 -6.99538 3.58368 7.97046 GPRESSAVG: 68800 22.1439 41.435 -8.55838 36.7749 -22.7991 4.22198 -5.1941 2.99402 7.86 TIMING: 68800 CPU: 215.946, 0.00310015/step Wall: 215.946, 0.00310015/step, 4.24651 hours remaining, 226.257812 MB of memory in use. ENERGY: 68800 3908.2205 20735.7681 14393.8453 231.4357 -203592.9246 2651.0860 0.0000 0.0000 51858.2545 -109814.3144 298.0301 -161672.5689 -109459.4113 298.5967 8.9630 29.1384 762975.4990 2.7373 2.4016 PRESSURE: 69000 263.858 80.1126 -169.218 80.1124 -109.233 196.789 -169.218 196.788 81.9356 GPRESSURE: 69000 247.553 154 -268.129 155.826 -17.073 189.761 -142.138 85.3538 91.6592 PRESSAVG: 69000 23.7961 4.22076 -20.453 4.22071 -7.40044 -13.5581 -20.453 -13.558 -5.48878 GPRESSAVG: 69000 23.8727 4.95988 -20.3051 3.84751 -7.95545 -14.5374 -19.5674 -13.5076 -4.74254 TIMING: 69000 CPU: 216.567, 0.00310877/step Wall: 216.567, 0.00310877/step, 4.25816 hours remaining, 226.328125 MB of memory in use. ENERGY: 69000 4000.0002 20526.7538 14421.9663 264.3833 -203699.5972 2921.7988 0.0000 0.0000 51759.4065 -109805.2883 297.4620 -161564.6948 -109439.1122 298.7503 78.8534 107.3798 760535.7407 3.6356 3.7249 PRESSURE: 69200 67.3935 -124.379 -102.98 -124.379 -114.384 42.5826 -102.98 42.5829 -7.26356 GPRESSURE: 69200 53.5456 -153.859 -123.192 -71.7142 -25.113 64.0692 -146.424 -38.5602 2.9677 PRESSAVG: 69200 8.39408 2.35428 -41.774 2.35422 8.45158 14.5109 -41.7739 14.5109 9.3 GPRESSAVG: 69200 9.10897 0.209708 -40.3849 4.00528 7.37657 16.3315 -44.7527 14.9111 9.42851 TIMING: 69200 CPU: 217.191, 0.00311746/step Wall: 217.191, 0.00311746/step, 4.26988 hours remaining, 226.328125 MB of memory in use. ENERGY: 69200 3951.5824 20283.6716 14457.0679 259.9302 -203452.2258 2586.6940 0.0000 0.0000 52186.7064 -109726.5734 299.9177 -161913.2797 -109348.0518 298.5089 -18.0846 10.4668 761229.3660 8.7152 8.6380 PRESSURE: 69400 -380.57 -127.208 42.5464 -127.207 -411.475 -61.8722 42.5466 -61.8714 -498.837 GPRESSURE: 69400 -315.986 -67.0801 29.9774 -80.4552 -336.461 -163.357 66.1263 6.78531 -553.485 PRESSAVG: 69400 9.14495 15.504 -35.9703 15.504 -25.5785 10.2076 -35.9703 10.2076 2.48783 GPRESSAVG: 69400 9.30946 17.0258 -36.4257 12.9964 -25.3828 9.18557 -34.9501 10.5707 2.44789 TIMING: 69400 CPU: 217.818, 0.00313568/step Wall: 217.818, 0.00313568/step, 4.29466 hours remaining, 226.328125 MB of memory in use. ENERGY: 69400 3996.0568 20332.4158 14408.1396 235.6807 -203010.8158 2079.4020 0.0000 0.0000 51842.8938 -110116.2272 297.9418 -161959.1210 -109743.0618 297.7232 -430.2942 -401.9774 762434.5863 -4.6486 -4.5418 PRESSURE: 69600 -51.7437 60.5449 23.8852 60.545 -183.171 -187.428 23.8847 -187.428 185.064 GPRESSURE: 69600 -98.4891 122.774 37.1467 92.4919 -35.0523 -99.5314 86.8334 -206.764 154.312 PRESSAVG: 69600 -8.42548 -43.8362 5.94617 -43.8362 -20.0126 7.23747 5.94616 7.23743 -11.6219 GPRESSAVG: 69600 -8.8003 -44.6724 4.60375 -41.4289 -18.5511 7.97871 9.2572 7.02276 -12.6245 TIMING: 69600 CPU: 218.444, 0.00312923/step Wall: 218.444, 0.00312923/step, 4.28565 hours remaining, 226.328125 MB of memory in use. ENERGY: 69600 4018.7260 20325.3452 14409.0580 236.4757 -203824.0898 2720.0245 0.0000 0.0000 51987.2873 -110127.1731 298.7717 -162114.4603 -109764.4209 297.4664 -16.6170 6.9235 761632.9323 -13.3533 -13.3253 PRESSURE: 69800 222.088 -189.436 101.483 -189.435 135.339 -11.9686 101.483 -11.9688 110.251 GPRESSURE: 69800 262.701 -187.194 7.38662 -237.885 184.158 -20.8138 102.039 -113.273 124.536 PRESSAVG: 69800 37.9031 -20.3494 -26.512 -20.3494 -71.0857 47.2892 -26.5119 47.2891 31.3783 GPRESSAVG: 69800 37.9878 -21.2343 -26.2176 -20.7125 -71.4268 46.9651 -26.8926 43.5567 31.9008 TIMING: 69800 CPU: 219.068, 0.00312278/step Wall: 219.068, 0.00312278/step, 4.27664 hours remaining, 226.328125 MB of memory in use. ENERGY: 69800 3935.6723 20290.6077 14423.2445 247.1205 -203632.1706 2792.4406 0.0000 0.0000 51906.9677 -110036.1173 298.3101 -161943.0850 -109675.8532 297.5575 155.8928 190.4650 761320.5293 -0.6014 -0.5128 PRESSURE: 70000 -244.345 -95.8219 -87.396 -95.8214 -79.4352 218.38 -87.3952 218.38 -175.955 GPRESSURE: 70000 -206.423 -6.67634 -98.1717 -169.073 -63.1159 176.415 -154.831 126.342 -138.717 PRESSAVG: 70000 21.9782 -3.15694 -14.1452 -3.15694 -44.1825 -12.6579 -14.1452 -12.6579 3.09081 GPRESSAVG: 70000 21.4701 -1.9102 -12.0232 -2.6289 -44.0831 -12.8715 -17.3862 -10.0879 3.30151 TIMING: 70000 CPU: 219.694, 0.00312713/step Wall: 219.694, 0.00312713/step, 4.28244 hours remaining, 226.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 70000 4055.0502 20284.8516 14404.7869 237.7825 -203067.3828 2254.5794 0.0000 0.0000 52039.4644 -109790.8678 299.0715 -161830.3322 -109416.6654 298.1836 -166.5785 -136.0853 763781.1611 -6.3712 -6.4372 PRESSURE: 70200 -123.662 28.3715 -101.194 28.3722 -179.263 -31.5512 -101.193 -31.5521 299.093 GPRESSURE: 70200 -117.244 -64.2187 -59.921 25.5439 -86.4922 -25.2576 -99.4036 15.8671 281.215 PRESSAVG: 70200 48.183 10.7788 -42.0803 10.7788 5.58091 -14.7253 -42.0803 -14.7254 -19.5722 GPRESSAVG: 70200 49.0976 9.93045 -41.562 9.36371 5.82067 -15.1186 -41.8898 -14.8256 -21.2055 TIMING: 70200 CPU: 220.317, 0.00311569/step Wall: 220.317, 0.00311569/step, 4.26659 hours remaining, 226.328125 MB of memory in use. ENERGY: 70200 3957.0425 20446.8327 14438.1923 235.6714 -203369.7743 2475.2325 0.0000 0.0000 51879.1674 -109937.6356 298.1503 -161816.8030 -109578.1689 297.9723 -1.2772 25.8264 762302.5303 11.3972 11.2376 PRESSURE: 70400 -79.8921 45.2923 -26.1313 45.2925 -378.601 61.3031 -26.1306 61.303 -163.726 GPRESSURE: 70400 -33.356 -2.05074 -12.2185 8.23406 -357.437 3.66968 -154.385 -22.3259 -154.876 PRESSAVG: 70400 -3.43247 -6.94211 4.17277 -6.94206 -43.0081 -11.1433 4.17277 -11.1433 -3.177 GPRESSAVG: 70400 -3.92587 -7.00004 2.06902 -6.92573 -44.4219 -11.2721 5.15233 -10.0807 -1.42676 TIMING: 70400 CPU: 220.941, 0.00311958/step Wall: 220.941, 0.00311958/step, 4.27175 hours remaining, 226.328125 MB of memory in use. ENERGY: 70400 4005.2822 20477.3348 14444.8610 244.9907 -203190.1210 2392.0589 0.0000 0.0000 51863.8192 -109761.7741 298.0621 -161625.5933 -109391.6196 298.3230 -207.4062 -181.8898 763927.4004 -16.5392 -16.5915 PRESSURE: 70600 -264.3 -137.773 -238.541 -137.774 -551.7 -216.261 -238.541 -216.26 -38.5611 GPRESSURE: 70600 -260.952 -175.078 -140.041 -30.6193 -496.113 -250.377 -206.094 -176.288 -25.8996 PRESSAVG: 70600 3.29426 -14.0984 -14.3466 -14.0984 3.39714 -41.9741 -14.3466 -41.974 -3.78538 GPRESSAVG: 70600 3.01977 -15.0492 -14.9121 -12.2802 4.31099 -41.6877 -14.7549 -41.6195 -4.34573 TIMING: 70600 CPU: 221.562, 0.00310723/step Wall: 221.562, 0.00310723/step, 4.25465 hours remaining, 226.328125 MB of memory in use. ENERGY: 70600 3976.4927 20429.6557 14447.8781 239.8602 -203163.0537 2441.9711 0.0000 0.0000 51867.5804 -109759.6156 298.0837 -161627.1960 -109393.2305 298.3391 -284.8539 -260.9885 762433.1998 0.9687 0.9950 PRESSURE: 70800 150.088 -72.216 4.14432 -72.2169 -116.66 -291.518 4.14381 -291.518 -107.178 GPRESSURE: 70800 96.4595 -7.38224 10.4538 -1.15631 -16.8119 -196.186 46.1143 -328.799 -73.8898 PRESSAVG: 70800 8.8855 -12.9224 -58.5403 -12.9224 -6.76299 27.7308 -58.5403 27.7309 30.0475 GPRESSAVG: 70800 9.29312 -12.6221 -56.732 -14.6771 -6.87513 28.3884 -58.6314 26.4457 29.5988 TIMING: 70800 CPU: 222.191, 0.00314327/step Wall: 222.191, 0.00314327/step, 4.30383 hours remaining, 226.328125 MB of memory in use. ENERGY: 70800 3990.2398 20363.2513 14471.8584 257.4388 -202964.4674 2349.5069 0.0000 0.0000 51804.9359 -109727.2362 297.7237 -161532.1721 -109358.5900 298.2589 -24.5835 1.9193 761038.6727 10.7233 10.6723 PRESSURE: 71000 -39.1245 -13.7818 201.219 -13.7829 178.072 120.907 201.218 120.908 -1.29011 GPRESSURE: 71000 81.9184 -153.549 166.946 63.7027 206.574 139.045 166.09 30.1534 -60.8621 PRESSAVG: 71000 0.83775 -24.0277 17.7982 -24.0277 11.378 3.15802 17.7981 3.15809 2.75432 GPRESSAVG: 71000 0.961069 -23.693 17.6072 -22.6984 10.9044 2.34437 17.9236 3.94007 2.59583 TIMING: 71000 CPU: 222.817, 0.00313057/step Wall: 222.817, 0.00313057/step, 4.28627 hours remaining, 226.328125 MB of memory in use. ENERGY: 71000 4054.1133 20476.8903 14476.1769 231.4860 -203363.9270 2573.7853 0.0000 0.0000 51807.0490 -109744.4262 297.7358 -161551.4752 -109390.8061 298.7896 45.8859 75.8767 761007.5424 4.9900 4.8204 PRESSURE: 71200 -59.6456 174.713 98.0458 174.713 -227.402 280.704 98.0458 280.705 -92.6637 GPRESSURE: 71200 -31.31 284.347 145.935 157.76 -167.817 169.468 -96.8679 316.839 -90.7339 PRESSAVG: 71200 21.4858 -10.2807 25.9762 -10.2807 15.6189 -37.4884 25.9762 -37.4885 -16.0696 GPRESSAVG: 71200 22.0688 -10.2368 24.8089 -9.57507 14.9411 -37.5988 25.9665 -37.0673 -16.0529 TIMING: 71200 CPU: 223.441, 0.00311883/step Wall: 223.441, 0.00311883/step, 4.27003 hours remaining, 226.328125 MB of memory in use. ENERGY: 71200 3965.4703 20515.1580 14448.4323 258.7822 -203183.4859 2394.4360 0.0000 0.0000 51923.7174 -109677.4897 298.4063 -161601.2072 -109314.9557 298.4254 -126.5705 -96.6201 761648.1154 7.0117 6.9857 PRESSURE: 71400 38.047 29.1835 -33.0298 29.1827 193.318 -94.5098 -33.0305 -94.5089 336.516 GPRESSURE: 71400 86.8755 -43.0102 -59.0555 105.552 273.196 -21.1194 -34.7968 -104.878 296.162 PRESSAVG: 71400 -91.1486 23.6195 -29.525 23.6195 52.8471 -26.9963 -29.525 -26.9963 20.477 GPRESSAVG: 71400 -92.2795 24.3469 -29.3859 22.4366 53.8461 -25.3697 -30.9927 -27.4138 20.0659 TIMING: 71400 CPU: 224.066, 0.00312503/step Wall: 224.066, 0.00312503/step, 4.27834 hours remaining, 226.328125 MB of memory in use. ENERGY: 71400 3982.7552 20354.5915 14458.9751 240.9571 -203734.8052 2756.4972 0.0000 0.0000 52049.9876 -109891.0414 299.1320 -161941.0290 -109526.5900 298.1475 189.2934 218.7443 761224.5605 -5.9415 -6.1225 PRESSURE: 71600 -297.226 137.122 43.2601 137.122 -50.1868 -126.775 43.2601 -126.775 -96.4728 GPRESSURE: 71600 -235.521 182.029 20.9697 181.031 -57.1565 -141.728 44.1595 -341.568 -78.0469 PRESSAVG: 71600 -53.7426 64.1703 2.8428 64.1703 15.8017 -31.7024 2.84274 -31.7025 -21.7396 GPRESSAVG: 71600 -53.7967 64.1752 4.5067 64.2337 15.2578 -32.3119 2.77896 -33.3273 -21.2532 TIMING: 71600 CPU: 224.698, 0.00315848/step Wall: 224.698, 0.00315848/step, 4.32396 hours remaining, 226.328125 MB of memory in use. ENERGY: 71600 3954.1264 20388.3603 14440.5054 241.4323 -203502.1114 2775.5605 0.0000 0.0000 51781.3758 -109920.7506 297.5883 -161702.1263 -109551.8317 298.0219 -147.9617 -123.5749 760625.5077 -19.8935 -19.9307 PRESSURE: 71800 -481.374 14.8864 -65.4507 14.8872 -94.1913 120.34 -65.4494 120.34 -328.291 GPRESSURE: 71800 -308.104 124.784 -31.0777 1.21458 -123.821 125.959 -142.121 39.1646 -367.095 PRESSAVG: 71800 -15.2721 -3.85732 21.5987 -3.85728 45.0949 -14.3684 21.5986 -14.3684 -10.348 GPRESSAVG: 71800 -14.6745 -5.7769 20.7271 -2.20795 45.1354 -13.7969 24.1676 -15.6908 -10.9134 TIMING: 71800 CPU: 225.323, 0.00312476/step Wall: 225.323, 0.00312476/step, 4.27762 hours remaining, 226.328125 MB of memory in use. ENERGY: 71800 4002.6802 20418.2551 14362.5445 225.0966 -203078.9030 2496.1496 0.0000 0.0000 51910.5374 -109663.6396 298.3306 -161574.1770 -109305.9578 298.5888 -301.2854 -266.3400 763411.6986 6.4916 6.5159 PRESSURE: 72000 -147.457 -37.6459 47.8004 -37.6455 -288.586 2.33398 47.7999 2.33444 -186.939 GPRESSURE: 72000 -121.186 12.415 -10.9486 -56.9806 -195.003 21.1581 51.7843 -92.9592 -229.05 PRESSAVG: 72000 -38.6461 -10.0605 26.6064 -10.0604 -3.3845 -42.458 26.6064 -42.4579 5.3228 GPRESSAVG: 72000 -38.9652 -9.11009 27.0288 -11.3968 -3.511 -43.4067 22.5906 -39.2849 5.524 TIMING: 72000 CPU: 225.948, 0.00312838/step Wall: 225.948, 0.00312838/step, 4.28241 hours remaining, 226.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 72000 3987.2022 20474.3877 14440.6794 240.8948 -203429.7991 2644.4836 0.0000 0.0000 51974.3055 -109667.8458 298.6970 -161642.1513 -109301.2863 298.5192 -207.6605 -181.7461 761150.8295 -12.2359 -12.3174 PRESSURE: 72200 -0.866632 -258.736 -161.946 -258.737 202.755 -58.6586 -161.946 -58.6588 -186.709 GPRESSURE: 72200 156.641 -100.959 -73.0616 -355.841 63.2122 -45.75 -233.399 -31.782 -106.553 PRESSAVG: 72200 45.9328 -1.40154 -5.09674 -1.40159 -11.1831 -3.02461 -5.09684 -3.02465 -18.6402 GPRESSAVG: 72200 46.076 -0.0827685 -6.24868 -2.92044 -11.5671 -4.89722 -1.43165 -4.67276 -18.6308 TIMING: 72200 CPU: 226.576, 0.00313854/step Wall: 226.576, 0.00313854/step, 4.29614 hours remaining, 226.328125 MB of memory in use. ENERGY: 72200 3960.3105 20372.0148 14426.4040 241.5687 -203234.9314 2295.2989 0.0000 0.0000 52065.8299 -109873.5047 299.2230 -161939.3346 -109507.4231 298.9216 5.0600 37.7667 760373.6140 5.3698 5.2927 LDB: ============= START OF LOAD BALANCING ============== 238.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 238.971 LDB: =============== DONE WITH MIGRATION ================ 238.972 LDB: ============= START OF LOAD BALANCING ============== 239.285 LDB: Largest compute 7026 load 0.031423 is 16.1% of average load 0.195327 LDB: Average compute 0.004372 is 2.2% of average load 0.195327 LDB: TIME 239.288 LOAD: AVG 0.195327 MAX 0.217587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 225.582 MB LDB: TIME 239.289 LOAD: AVG 0.195327 MAX 0.217587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.582 MB LDB: TIME 239.289 LOAD: AVG 0.195327 MAX 0.217587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 239.291 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 239.295 PRESSURE: 72400 -82.3594 -91.7663 306.048 -91.7661 -153.189 155.482 306.049 155.483 245.728 GPRESSURE: 72400 -99.9153 -74.5878 334.402 90.4017 -74.8173 77.4062 272.461 209.026 275.271 PRESSAVG: 72400 -32.1074 -0.865461 7.88509 -0.865419 5.71919 11.1284 7.88507 11.1284 13.8972 GPRESSAVG: 72400 -33.2853 -1.77522 8.32603 0.934696 6.47825 12.9453 7.02463 10.1914 14.4889 TIMING: 72400 CPU: 227.213, 0.00318465/step Wall: 227.213, 0.00318465/step, 4.35907 hours remaining, 226.023438 MB of memory in use. ENERGY: 72400 3955.2960 20540.7372 14489.0167 247.7073 -203746.8733 2555.6370 0.0000 0.0000 52188.6871 -109769.7919 299.9291 -161958.4790 -109397.8600 298.5805 3.3933 33.5127 759138.5052 -4.1636 -4.1060 PRESSURE: 72600 -41.9997 94.5243 63.4514 94.5239 -130.644 212.61 63.4516 212.611 272.024 GPRESSURE: 72600 -22.4104 0.571712 25.1305 40.5392 -88.3322 198.052 -36.7335 70.1299 275.842 PRESSAVG: 72600 5.66319 21.5635 8.66589 21.5635 -21.53 -23.926 8.66596 -23.9258 11.4918 GPRESSAVG: 72600 6.33377 20.167 8.15057 23.198 -22.4616 -25.7235 8.07505 -20.5582 11.6446 TIMING: 72600 CPU: 227.837, 0.00312168/step Wall: 227.837, 0.00312168/step, 4.27271 hours remaining, 226.304688 MB of memory in use. ENERGY: 72600 3993.3869 20570.4564 14437.4580 246.9442 -203775.0751 2876.2686 0.0000 0.0000 51919.3947 -109731.1663 298.3815 -161650.5610 -109368.0560 298.7743 33.1266 55.0332 759934.2092 -1.4583 -1.4944 PRESSURE: 72800 53.7131 -66.362 44.8669 -66.3621 215.412 -134.421 44.8672 -134.421 -67.6188 GPRESSURE: 72800 73.0543 131.969 24.863 -17.5003 257.862 -142.42 9.4328 -216.02 -72.5753 PRESSAVG: 72800 31.6106 -56.3272 22.2551 -56.3272 -47.9742 -48.8696 22.2552 -48.8696 -20.0143 GPRESSAVG: 72800 30.3468 -54.9669 23.8453 -55.8786 -46.4349 -47.3576 21.9308 -50.7875 -20.4617 TIMING: 72800 CPU: 228.461, 0.00311955/step Wall: 228.461, 0.00311955/step, 4.26962 hours remaining, 226.507812 MB of memory in use. ENERGY: 72800 3981.3483 20454.2348 14438.9153 246.9457 -203283.6533 2548.0341 0.0000 0.0000 51895.1600 -109719.0150 298.2422 -161614.1750 -109348.2135 298.9867 67.1689 86.1135 761314.3392 -12.1260 -12.1833 PRESSURE: 73000 -23.8571 -51.6058 -294.704 -51.6053 -108.84 -236.855 -294.704 -236.854 186.703 GPRESSURE: 73000 39.446 -110.579 -243.104 22.2085 -33.6964 -181.233 -265.854 -266.097 144.308 PRESSAVG: 73000 -15.8562 -2.92867 -42.2226 -2.92867 10.0023 -38.5757 -42.2226 -38.5757 9.58178 GPRESSAVG: 73000 -16.4924 -2.59504 -42.4803 -5.86179 9.96539 -38.897 -40.0136 -36.2187 10.3778 TIMING: 73000 CPU: 229.091, 0.0031476/step Wall: 229.091, 0.0031476/step, 4.30784 hours remaining, 226.507812 MB of memory in use. ENERGY: 73000 3961.4451 20420.7539 14448.8513 223.9288 -203614.3535 2426.1013 0.0000 0.0000 52208.4408 -109924.8323 300.0426 -162133.2731 -109551.4004 298.6068 18.0020 50.0193 761049.7525 1.2426 1.2836 PRESSURE: 73200 37.8859 74.8951 -13.5993 74.8949 -408.91 90.8578 -13.5995 90.8584 -268.194 GPRESSURE: 73200 18.9683 30.3566 -86.6961 105.522 -334.568 123.869 -22.604 30.3005 -231.318 PRESSAVG: 73200 -27.4384 13.9314 -52.6729 13.9314 26.2866 -2.24974 -52.6728 -2.24975 2.43311 GPRESSAVG: 73200 -27.4652 13.4842 -52.8646 15.8581 27.018 -2.21414 -53.5232 -3.0161 2.2702 TIMING: 73200 CPU: 229.717, 0.00313282/step Wall: 229.717, 0.00313282/step, 4.28744 hours remaining, 226.574219 MB of memory in use. ENERGY: 73200 3958.7971 20453.5333 14502.2655 253.3801 -203069.1395 2442.3393 0.0000 0.0000 52021.4426 -109437.3818 298.9679 -161458.8244 -109069.4752 299.2268 -213.0728 -182.3060 761885.5768 0.4271 0.6077 PRESSURE: 73400 66.5972 47.3057 91.7995 47.3051 105.029 -105.165 91.799 -105.166 -136.474 GPRESSURE: 73400 148.011 67.2436 109.003 120.656 111.503 -79.7633 66.5365 35.916 -143.133 PRESSAVG: 73400 13.885 -25.9561 -6.16856 -25.9561 -9.15046 -23.6017 -6.1686 -23.6018 3.96844 GPRESSAVG: 73400 15.2632 -23.6145 -5.9652 -25.222 -11.4661 -22.0982 -6.52078 -24.0974 5.2708 TIMING: 73400 CPU: 230.342, 0.00312467/step Wall: 230.342, 0.00312467/step, 4.27611 hours remaining, 226.574219 MB of memory in use. ENERGY: 73400 4000.4727 20564.4886 14521.7148 269.8364 -203334.4425 2328.2461 0.0000 0.0000 52217.7066 -109431.9772 300.0959 -161649.6838 -109062.3579 299.7014 11.7172 38.7938 759887.7147 2.9010 3.0227 PRESSURE: 73600 -468.638 -47.5618 -79.1868 -47.5619 -218.93 25.4137 -79.1869 25.4137 -239.791 GPRESSURE: 73600 -436.336 63.2867 -127.709 -143.663 -172.931 82.9222 -126.331 8.2963 -220.528 PRESSAVG: 73600 -6.05793 -12.3036 17.8941 -12.3036 18.6982 75.3101 17.8941 75.3102 8.48034 GPRESSAVG: 73600 -5.10776 -14.0475 16.0622 -13.4073 19.7642 73.6622 17.0233 74.6079 6.7426 TIMING: 73600 CPU: 230.968, 0.0031273/step Wall: 230.968, 0.0031273/step, 4.27953 hours remaining, 226.574219 MB of memory in use. ENERGY: 73600 4051.5634 20624.2711 14504.8565 229.6184 -203110.0967 2058.6377 0.0000 0.0000 52134.8696 -109506.2799 299.6198 -161641.1495 -109146.5250 299.9571 -309.1196 -276.5983 760160.0243 7.0402 7.1330 PRESSURE: 73800 -245.612 -83.1482 198.696 -83.149 40.8576 -30.8612 198.697 -30.8622 -105.19 GPRESSURE: 73800 -217.763 -44.6244 219.919 10.7512 74.3094 4.67138 281.68 64.1226 -77.1862 PRESSAVG: 73800 22.652 -47.8437 97.6018 -47.8437 20.777 16.5677 97.6017 16.5676 -27.1198 GPRESSAVG: 73800 21.0401 -46.5375 99.0516 -48.9194 21.5812 17.2392 97.3501 18.6095 -26.892 TIMING: 73800 CPU: 231.591, 0.00311766/step Wall: 231.591, 0.00311766/step, 4.26617 hours remaining, 226.574219 MB of memory in use. ENERGY: 73800 4048.6861 20567.1125 14458.7926 227.5949 -203473.2358 2535.1885 0.0000 0.0000 52218.4091 -109417.4520 300.0999 -161635.8612 -109049.1909 299.7431 -103.3146 -73.5467 761063.4977 5.4364 5.2431 PRESSURE: 74000 234.842 40.2799 -142.46 40.28 -241.153 -145.451 -142.46 -145.453 -510.61 GPRESSURE: 74000 185.135 -0.544295 -61.1748 -10.1653 -94.3463 -102.811 -49.606 -250.129 -527.823 PRESSAVG: 74000 11.2406 13.7791 64.7526 13.7791 7.1269 -19.1702 64.7526 -19.1701 41.5327 GPRESSAVG: 74000 12.0429 14.1134 65.034 15.691 5.60287 -18.4808 67.2863 -21.833 42.4071 TIMING: 74000 CPU: 232.214, 0.00311642/step Wall: 232.214, 0.00311642/step, 4.2643 hours remaining, 226.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 74000 4086.7493 20514.7924 14449.3382 231.8952 -203161.7239 2414.1967 0.0000 0.0000 52270.5322 -109194.2199 300.3995 -161464.7521 -108831.4008 299.8195 -172.3072 -145.6779 761545.2012 19.9668 20.0176 PRESSURE: 74200 -142.878 -39.9611 -26.3973 -39.9611 106.055 134.765 -26.3971 134.765 23.7024 GPRESSURE: 74200 -125.358 -60.3805 28.0737 -32.8972 150.575 96.7231 -7.13434 -16.472 60.1124 PRESSAVG: 74200 23.3495 -1.1203 10.875 -1.12025 28.9304 -34.2035 10.875 -34.2035 -12.8943 GPRESSAVG: 74200 23.7371 -3.37802 12.3872 -1.95211 29.1659 -34.4043 10.1823 -35.6837 -12.8474 TIMING: 74200 CPU: 232.837, 0.00311244/step Wall: 232.837, 0.00311245/step, 4.25869 hours remaining, 226.574219 MB of memory in use. ENERGY: 74200 3922.5527 20480.9724 14534.1640 245.3616 -203223.9977 2703.5444 0.0000 0.0000 52090.6722 -109246.7305 299.3658 -161337.4028 -108885.7527 300.0760 -4.3735 28.4433 759701.1666 13.1285 13.3519 PRESSURE: 74400 -240.534 4.22546 25.1088 4.22538 -57.2898 -36.8769 25.109 -36.8773 -44.8518 GPRESSURE: 74400 -156.816 46.7393 60.0187 65.7312 -95.5419 -37.2593 3.64091 -102.612 -5.42883 PRESSAVG: 74400 -30.4581 21.429 37.7364 21.4289 27.0293 -39.139 37.7363 -39.1391 -12.244 GPRESSAVG: 74400 -30.2447 22.5372 34.1256 21.2459 27.2709 -39.016 37.8207 -36.6138 -12.8899 TIMING: 74400 CPU: 233.463, 0.00312875/step Wall: 233.463, 0.00312875/step, 4.28082 hours remaining, 226.574219 MB of memory in use. ENERGY: 74400 4051.3028 20460.8710 14537.4160 238.5384 -203318.9125 2638.9892 0.0000 0.0000 52086.3694 -109305.4257 299.3411 -161391.7952 -108946.0928 299.5792 -114.2254 -85.9291 760791.8648 -5.2243 -5.2879 PRESSURE: 74600 -159.859 152.833 21.0745 152.832 -4.17551 -64.464 21.0754 -64.4644 18.3601 GPRESSURE: 74600 -40.3997 42.6978 65.2558 171.714 17.5926 -81.7863 129.045 8.0853 -35.3354 PRESSAVG: 74600 41.321 24.2548 -35.7745 24.2548 -5.08211 7.92352 -35.7745 7.9235 11.9868 GPRESSAVG: 74600 41.9633 23.902 -32.5092 25.5279 -4.76234 5.2971 -37.0547 6.90922 11.4818 TIMING: 74600 CPU: 234.09, 0.00313574/step Wall: 234.09, 0.00313575/step, 4.29022 hours remaining, 226.574219 MB of memory in use. ENERGY: 74600 3972.1099 20735.3656 14454.4063 249.0629 -203469.9562 2661.8381 0.0000 0.0000 52019.7928 -109377.3806 298.9585 -161397.1734 -109008.0051 299.5735 -48.5583 -19.3808 761100.0799 16.0752 16.2276 PRESSURE: 74800 -274.378 326.348 -3.65338 326.349 -273.79 -166.517 -3.65385 -166.515 -7.90868 GPRESSURE: 74800 -302.094 221.34 4.15624 383.218 -196.636 -152.202 -116.841 -163.367 11.0378 PRESSAVG: 74800 -1.15506 30.3223 -11.1583 30.3223 18.8554 20.6673 -11.1582 20.6673 14.8967 GPRESSAVG: 74800 -1.41244 30.2255 -12.4442 28.8209 18.6129 22.865 -11.014 20.1896 15.639 TIMING: 74800 CPU: 234.716, 0.00313205/step Wall: 234.716, 0.00313205/step, 4.285 hours remaining, 226.574219 MB of memory in use. ENERGY: 74800 3944.0898 20673.5527 14502.7875 249.2312 -203129.3913 2361.1190 0.0000 0.0000 52057.4613 -109341.1498 299.1749 -161398.6111 -108972.3326 299.8794 -185.3589 -162.5642 760590.5650 10.8657 10.9465 PRESSURE: 75000 -254.53 194.314 -72.9274 194.314 -4.00983 -173.505 -72.9271 -173.506 22.4092 GPRESSURE: 75000 -136.057 21.7401 -54.4621 144.829 -25.976 -85.2226 18.4364 -139.017 12.6494 PRESSAVG: 75000 16.5887 -26.8538 -2.39956 -26.8537 24.633 71.4796 -2.39952 71.4796 -9.26876 GPRESSAVG: 75000 16.7476 -28.1388 -2.03581 -25.9534 25.006 71.5998 -1.94317 73.4589 -9.74271 TIMING: 75000 CPU: 235.342, 0.00312831/step Wall: 235.342, 0.00312831/step, 4.27971 hours remaining, 226.574219 MB of memory in use. ENERGY: 75000 4016.4178 20612.5639 14489.4868 245.9529 -203315.0547 2565.1847 0.0000 0.0000 52024.1629 -109361.2857 298.9836 -161385.4486 -109003.7344 299.5525 -78.7101 -49.7947 761489.6157 10.6510 10.6703 PRESSURE: 75200 514.742 -138.501 -106.064 -138.501 -135.547 214.418 -106.065 214.418 102.838 GPRESSURE: 75200 531.943 -52.0296 -140.789 -184.44 -58.7099 212.697 -4.15013 135.773 98.4113 PRESSAVG: 75200 -36.138 -24.336 18.882 -24.336 16.3707 64.1584 18.8821 64.1582 -2.34738 GPRESSAVG: 75200 -36.2308 -24.5861 17.4053 -23.2479 16.736 64.8085 19.7608 63.1711 -2.85896 TIMING: 75200 CPU: 235.967, 0.00312567/step Wall: 235.967, 0.00312567/step, 4.27592 hours remaining, 226.574219 MB of memory in use. ENERGY: 75200 3986.3046 20489.1364 14399.3630 242.9094 -203655.9798 2705.2026 0.0000 0.0000 52350.8566 -109482.2072 300.8611 -161833.0638 -109101.7952 299.5835 160.6776 190.5482 760246.7982 -7.3716 -7.4513 PRESSURE: 75400 -391.298 21.8368 -208.457 21.8356 -249.843 -137.779 -208.457 -137.778 -87.1582 GPRESSURE: 75400 -324.262 66.9826 -157.481 -36.8203 -306.724 -105.687 -289.618 -196.505 -55.7399 PRESSAVG: 75400 37.3608 -51.2759 -15.3978 -51.2759 -23.0015 -12.1483 -15.3978 -12.1482 -24.0547 GPRESSAVG: 75400 37.1698 -49.496 -13.8275 -52.9451 -23.6288 -12.5322 -17.2467 -10.7883 -24.2561 TIMING: 75400 CPU: 236.595, 0.00314121/step Wall: 236.595, 0.00314121/step, 4.29701 hours remaining, 226.574219 MB of memory in use. ENERGY: 75400 4063.4991 20681.5677 14427.7840 244.2040 -203385.6085 2411.0158 0.0000 0.0000 52182.6765 -109374.8615 299.8946 -161557.5379 -109005.9704 299.5099 -242.7664 -228.9087 763417.7809 -3.2318 -3.5717 PRESSURE: 75600 118.395 -4.33005 -99.0589 -4.32964 66.3604 108.704 -99.0583 108.704 -149.514 GPRESSURE: 75600 101.445 31.0882 -70.8012 -42.9704 115.621 94.0148 -175.179 121.905 -107.416 PRESSAVG: 75600 -9.73708 -26.7024 -20.5725 -26.7024 25.9696 -36.1614 -20.5726 -36.1614 3.72074 GPRESSAVG: 75600 -9.93674 -28.3092 -20.1038 -24.3743 25.909 -36.8546 -20.2115 -36.3289 4.11557 TIMING: 75600 CPU: 237.227, 0.00315778/step Wall: 237.227, 0.00315778/step, 4.3195 hours remaining, 226.574219 MB of memory in use. ENERGY: 75600 4005.6474 20605.3223 14467.9433 251.5138 -203751.5546 2669.7042 0.0000 0.0000 52382.1199 -109369.3036 301.0408 -161751.4235 -109010.5519 299.5635 11.7471 36.5499 760625.4134 6.6511 6.6959 PRESSURE: 75800 -283.335 229.687 76.8416 229.687 -388.625 34.1909 76.8418 34.1903 -375.457 GPRESSURE: 75800 -229.878 251.133 123.555 226.719 -279.787 42.9826 173.327 -19.7433 -438.244 PRESSAVG: 75800 63.8419 -3.34111 6.41555 -3.34111 -51.8614 6.62556 6.41553 6.62559 -10.9506 GPRESSAVG: 75800 63.4952 -2.00724 4.22165 -5.96104 -53.1302 8.0605 7.92501 5.11352 -9.74642 TIMING: 75800 CPU: 237.851, 0.00312295/step Wall: 237.851, 0.00312295/step, 4.27168 hours remaining, 226.574219 MB of memory in use. ENERGY: 75800 4030.6910 20487.9955 14436.7886 254.1333 -203421.5011 2898.5436 0.0000 0.0000 52060.3732 -109252.9760 299.1917 -161313.3492 -108887.3675 299.6318 -349.1391 -315.9698 761731.3546 0.3433 0.2062 PRESSURE: 76000 136.902 106.866 -124.185 106.865 151.339 10.983 -124.185 10.9822 144.412 GPRESSURE: 76000 82.2306 181.107 -144.923 0.220613 264.855 -9.97201 -128.501 91.5603 177.101 PRESSAVG: 76000 15.4087 5.93817 -13.2967 5.93816 -79.3513 -36.8242 -13.2967 -36.8241 -1.04914 GPRESSAVG: 76000 16.1267 5.41578 -10.8994 7.00293 -78.6616 -37.3275 -13.2725 -36.6646 -2.73431 TIMING: 76000 CPU: 238.478, 0.00313426/step Wall: 238.478, 0.00313426/step, 4.28697 hours remaining, 226.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 76000 4017.7241 20427.9564 14389.8735 225.1726 -203048.5847 2437.8712 0.0000 0.0000 52102.3621 -109447.6248 299.4330 -161549.9870 -109084.2631 299.4892 144.2176 174.7288 763334.8440 -21.6639 -21.7564 PRESSURE: 76200 -64.8218 -40.1123 217.188 -40.1121 -167.712 -163.478 217.188 -163.477 -472.737 GPRESSURE: 76200 -38.9578 -82.8886 292.721 -106.996 -81.2333 -107.584 16.9456 -193.156 -481.948 PRESSAVG: 76200 54.9238 -26.4761 -2.28664 -26.4761 -41.5 14.0387 -2.28662 14.0387 6.79497 GPRESSAVG: 76200 54.5788 -28.381 -3.29661 -26.4903 -40.983 14.725 -3.691 12.2129 6.95207 TIMING: 76200 CPU: 239.106, 0.003137/step Wall: 239.106, 0.003137/step, 4.29055 hours remaining, 226.574219 MB of memory in use. ENERGY: 76200 4001.6520 20354.6627 14427.7705 247.9522 -203192.6134 2641.2151 0.0000 0.0000 52323.8489 -109195.5119 300.7059 -161519.3608 -108826.0234 299.6356 -235.0903 -200.7132 763880.2678 6.7396 6.8493 LDB: ============= START OF LOAD BALANCING ============== 251.502 LDB: ============== END OF LOAD BALANCING =============== 251.502 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 251.504 LDB: ============= START OF LOAD BALANCING ============== 251.819 LDB: Largest compute 7057 load 0.032483 is 16.6% of average load 0.195338 LDB: Average compute 0.004374 is 2.2% of average load 0.195338 LDB: TIME 251.822 LOAD: AVG 0.195338 MAX 0.216219 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.727 MB LDB: TIME 251.822 LOAD: AVG 0.195338 MAX 0.216219 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.727 MB LDB: TIME 251.822 LOAD: AVG 0.195338 MAX 0.216219 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.727 MB LDB: ============== END OF LOAD BALANCING =============== 251.824 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 251.829 PRESSURE: 76400 15.5506 155.204 43.9647 155.205 288.901 34.1559 43.9644 34.1564 306.694 GPRESSURE: 76400 -42.9495 147.281 -26.4927 209.44 373.789 -8.03182 130.967 40.1913 366.609 PRESSAVG: 76400 -3.80811 17.6459 2.00621 17.6459 -50.7274 -43.6205 2.00621 -43.6205 17.5416 GPRESSAVG: 76400 -4.53931 20.0028 3.63585 16.967 -49.9849 -42.9693 0.812581 -42.7339 17.3701 TIMING: 76400 CPU: 239.747, 0.00320446/step Wall: 239.747, 0.00320446/step, 4.38263 hours remaining, 226.273438 MB of memory in use. ENERGY: 76400 3917.0208 20600.8662 14426.0193 235.4897 -203620.7336 3028.8934 0.0000 0.0000 52297.0661 -109115.3780 300.5520 -161412.4441 -108753.5352 300.2959 203.7154 232.4827 763986.1892 -12.3313 -12.3847 PRESSURE: 76600 -231.186 -38.228 114.934 -38.228 -10.4491 -178.547 114.934 -178.547 -157.477 GPRESSURE: 76600 -285.661 -20.9838 135.602 12.5553 -25.6033 -128.53 176.243 -60.4304 -22.7589 PRESSAVG: 76600 73.6635 24.8462 -17.9751 24.8463 -43.6996 -63.8351 -17.9751 -63.8351 9.20258 GPRESSAVG: 76600 72.5804 23.7649 -19.077 26.9737 -44.2022 -66.3093 -15.3795 -62.5204 10.017 TIMING: 76600 CPU: 240.374, 0.00313671/step Wall: 240.374, 0.00313671/step, 4.28979 hours remaining, 226.273438 MB of memory in use. ENERGY: 76600 3994.0592 20586.2389 14516.4581 257.7439 -203373.3498 2592.7571 0.0000 0.0000 52208.5428 -109217.5499 300.0432 -161426.0927 -108854.7931 299.6483 -133.0373 -111.3410 761652.8896 13.0555 12.7984 PRESSURE: 76800 -87.6088 -112.456 6.67521 -112.457 82.3621 -107.542 6.67539 -107.542 30.9377 GPRESSURE: 76800 51.9009 3.03573 -9.24426 -4.68111 38.9869 -82.8324 -142.378 -49.2409 17.3828 PRESSAVG: 76800 38.0343 -38.1259 -22.4316 -38.126 -1.23898 -30.1954 -22.4316 -30.1954 13.1276 GPRESSAVG: 76800 40.4186 -36.3755 -23.0264 -38.9757 -1.97735 -29.606 -24.4245 -29.4745 11.2124 TIMING: 76800 CPU: 240.999, 0.00312326/step Wall: 240.999, 0.00312326/step, 4.27123 hours remaining, 226.273438 MB of memory in use. ENERGY: 76800 3950.4925 20478.1307 14495.0323 244.5414 -203323.1039 2558.9716 0.0000 0.0000 52188.1037 -109407.8316 299.9257 -161595.9353 -109049.8356 299.2807 8.5637 36.0902 760853.9338 16.6410 16.5512 PRESSURE: 77000 -152.754 -7.14979 36.3883 -7.14981 82.6733 -81.8325 36.3879 -81.8324 114.654 GPRESSURE: 77000 -64.9 -60.5298 23.7001 -50.5277 47.6627 -96.3797 129.249 -20.5928 122.221 PRESSAVG: 77000 13.4511 -20.5288 -45.8949 -20.5289 15.0632 -28.3058 -45.8949 -28.3058 9.72893 GPRESSAVG: 77000 13.3144 -21.503 -46.6333 -21.0257 14.2167 -30.2666 -43.2457 -28.9506 10.3109 TIMING: 77000 CPU: 241.624, 0.00312889/step Wall: 241.624, 0.00312889/step, 4.27876 hours remaining, 226.542969 MB of memory in use. ENERGY: 77000 3935.9472 20565.3778 14453.0709 242.5252 -203000.0003 2589.8200 0.0000 0.0000 51891.1738 -109322.0854 298.2193 -161213.2592 -108957.1644 299.7145 14.8578 34.9945 762048.2904 12.7477 12.6140 PRESSURE: 77200 252.507 150.186 -37.2691 150.185 111.186 -56.8132 -37.2702 -56.8129 -117.766 GPRESSURE: 77200 244.587 185.001 -56.1275 116.132 119.938 12.248 -128.215 -30.3579 -29.8167 PRESSAVG: 77200 -10.9237 0.505952 -15.4381 0.505969 6.40509 -24.4182 -15.4381 -24.4182 19.7283 GPRESSAVG: 77200 -11.8071 1.78615 -16.7511 0.475789 7.76463 -22.0089 -16.7816 -23.9462 19.6484 TIMING: 77200 CPU: 242.249, 0.00312509/step Wall: 242.249, 0.00312508/step, 4.27338 hours remaining, 226.542969 MB of memory in use. ENERGY: 77200 4026.4460 20484.0241 14485.2116 256.1723 -203232.9311 2466.5827 0.0000 0.0000 52316.5947 -109197.8996 300.6642 -161514.4944 -108841.3756 299.6239 81.9761 111.5695 760607.1857 5.0699 5.2020 PRESSURE: 77400 -234.303 -5.82803 203.529 -5.82834 -170.528 -402.85 203.529 -402.849 166.086 GPRESSURE: 77400 -163.451 39.5988 200.678 -34.9292 -125.812 -388.67 229.124 -340.034 141.444 PRESSAVG: 77400 27.8722 -30.7405 64.0124 -30.7406 -6.48366 22.7258 64.0124 22.7258 -1.01781 GPRESSAVG: 77400 26.8387 -30.9125 65.0029 -30.3874 -6.6064 21.0483 63.5563 22.6136 -0.183227 TIMING: 77400 CPU: 242.873, 0.00311586/step Wall: 242.873, 0.00311586/step, 4.26059 hours remaining, 226.542969 MB of memory in use. ENERGY: 77400 3963.5980 20399.2281 14498.7011 250.7642 -203367.7446 2790.7374 0.0000 0.0000 52147.2610 -109317.4548 299.6910 -161464.7158 -108948.1533 299.4162 -79.5815 -49.2727 760606.2801 6.7902 6.6830 PRESSURE: 77600 163.245 -10.0845 -304.714 -10.0847 30.6611 -36.6631 -304.714 -36.6637 -167.215 GPRESSURE: 77600 179.112 -82.6965 -325.918 129.515 49.8724 30.1542 -242.515 126.289 -123.73 PRESSAVG: 77600 -21.0901 -37.7829 -4.82018 -37.7829 16.2588 -34.9076 -4.82009 -34.9077 7.97273 GPRESSAVG: 77600 -20.6801 -38.6984 -4.14136 -36.7791 16.2875 -31.8365 -5.89441 -34.6084 7.46491 TIMING: 77600 CPU: 243.497, 0.00312468/step Wall: 243.497, 0.00312468/step, 4.27248 hours remaining, 226.542969 MB of memory in use. ENERGY: 77600 3956.2191 20514.9934 14453.2779 232.6402 -203369.0086 2669.5983 0.0000 0.0000 52158.6021 -109383.6776 299.7562 -161542.2797 -109026.0210 299.2576 8.8968 35.0848 760729.2730 1.0472 1.0241 PRESSURE: 77800 -518.29 -12.1036 -150.407 -12.1035 -15.8611 81.1387 -150.407 81.1388 125.85 GPRESSURE: 77800 -474.693 13.6412 -98.1621 -5.31671 42.6129 170.825 -163.568 90.471 128.452 PRESSAVG: 77800 -7.80641 -0.936118 -50.9965 -0.936079 37.0491 -17.4355 -50.9965 -17.4354 13.5461 GPRESSAVG: 77800 -8.70198 -1.37664 -49.8623 -1.24074 36.6213 -18.7106 -48.6614 -18.9138 14.2266 TIMING: 77800 CPU: 244.125, 0.0031366/step Wall: 244.125, 0.0031366/step, 4.28861 hours remaining, 226.542969 MB of memory in use. ENERGY: 77800 4058.7761 20343.3129 14476.2899 223.7411 -202736.3665 2402.1699 0.0000 0.0000 51987.6818 -109244.3948 298.7739 -161232.0766 -108879.8196 299.2908 -136.1006 -101.2094 762803.9603 14.2629 14.0486 PRESSURE: 78000 195.992 -134.623 92.2657 -134.623 126.522 -57.457 92.2657 -57.4577 235.868 GPRESSURE: 78000 269.456 -77.2601 110.658 -148.258 110.585 -77.7088 37.4069 -18.0681 263.263 PRESSAVG: 78000 -23.1068 -14.7726 -51.6934 -14.7726 -14.4262 -30.7964 -51.6934 -30.7964 -0.939056 GPRESSAVG: 78000 -22.5035 -15.5246 -52.8093 -14.8311 -13.678 -30.8976 -53.5407 -28.7416 -1.86199 TIMING: 78000 CPU: 244.754, 0.00314743/step Wall: 244.754, 0.00314743/step, 4.30324 hours remaining, 226.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 78000 3912.8584 20401.5601 14512.8984 245.7814 -203659.3303 2820.3829 0.0000 0.0000 52220.3156 -109545.5337 300.1109 -161765.8492 -109190.8938 299.2544 186.1275 214.4347 759495.9668 -12.8240 -12.6812 PRESSURE: 78200 -84.7216 -44.8348 -76.3302 -44.8337 156.026 80.7676 -76.3302 80.7677 -485.863 GPRESSURE: 78200 -55.5599 -5.82527 -50.5715 50.2069 170.809 83.2745 -94.8374 98.5295 -452.406 PRESSAVG: 78200 -4.51292 25.8829 -30.4369 25.8829 14.4229 -13.6436 -30.437 -13.6437 -0.75669 GPRESSAVG: 78200 -4.80501 26.0309 -29.6641 26.9741 14.272 -13.3523 -29.4517 -14.4576 -0.128692 TIMING: 78200 CPU: 245.381, 0.00313332/step Wall: 245.381, 0.00313332/step, 4.28378 hours remaining, 226.542969 MB of memory in use. ENERGY: 78200 3966.1010 20572.1278 14463.2992 253.8502 -203150.6479 2508.9407 0.0000 0.0000 51934.5439 -109451.7852 298.4685 -161386.3291 -109096.0642 298.8778 -138.1862 -112.3854 759915.3957 3.0511 3.1128 PRESSURE: 78400 -143.811 -48.313 -213.997 -48.3124 -218.71 -5.66379 -213.997 -5.66524 61.7079 GPRESSURE: 78400 -74.4972 10.7378 -206.786 -29.1267 -135.225 -21.1394 -191.243 -71.0458 -5.93383 PRESSAVG: 78400 -48.5115 -23.3502 -25.1137 -23.3502 -0.416549 -9.97029 -25.1137 -9.97034 19.3207 GPRESSAVG: 78400 -47.7823 -22.4091 -24.9913 -24.78 -0.0596926 -10.7396 -22.8843 -12.1503 17.9086 TIMING: 78400 CPU: 246.007, 0.00313219/step Wall: 246.007, 0.00313219/step, 4.28206 hours remaining, 226.542969 MB of memory in use. ENERGY: 78400 3972.7538 20345.6116 14509.6354 240.7098 -203223.8990 2573.4029 0.0000 0.0000 52034.2593 -109547.5263 299.0416 -161581.7855 -109182.6213 299.1102 -100.2709 -71.8852 760493.1996 -9.8691 -9.9778 PRESSURE: 78600 -59.5966 151.206 228.017 151.207 176.027 -311.146 228.017 -311.146 -119.059 GPRESSURE: 78600 -52.5678 69.7518 218.733 179.377 252.532 -330.898 83.0048 -134.824 -120.04 PRESSAVG: 78600 -62.8214 7.86486 36.1248 7.86482 67.6546 9.56212 36.1249 9.56212 -11.0158 GPRESSAVG: 78600 -64.5705 8.39443 34.6996 7.01432 68.5606 8.13593 34.8114 12.7186 -10.0693 TIMING: 78600 CPU: 246.631, 0.00311768/step Wall: 246.631, 0.00311768/step, 4.26204 hours remaining, 226.542969 MB of memory in use. ENERGY: 78600 3907.8728 20498.3086 14534.8883 256.2474 -203359.2596 2710.1235 0.0000 0.0000 52117.6597 -109334.1593 299.5209 -161451.8191 -108980.3413 299.0630 -0.8762 26.6413 761295.8291 -2.0609 -2.0264 PRESSURE: 78800 -187.16 -32.8283 -63.8612 -32.8279 7.64127 -106.457 -63.8608 -106.457 -127.097 GPRESSURE: 78800 -144.107 10.1624 -80.1108 -13.6608 -2.76963 -74.2166 -166.923 -47.4153 -59.891 PRESSAVG: 78800 15.4794 -0.521499 17.3138 -0.521527 27.9117 9.2753 17.3139 9.27535 -27.7157 GPRESSAVG: 78800 16.6608 -3.25862 18.5288 0.702861 27.2304 11.9588 15.2892 8.27146 -27.8987 TIMING: 78800 CPU: 247.254, 0.00311423/step Wall: 247.254, 0.00311423/step, 4.25716 hours remaining, 226.542969 MB of memory in use. ENERGY: 78800 3971.3641 20535.3338 14493.2779 253.5899 -203115.5205 2604.1378 0.0000 0.0000 51899.4567 -109358.3603 298.2669 -161257.8169 -109001.9131 298.7424 -102.2051 -68.9224 762385.7133 5.2252 5.3308 PRESSURE: 79000 -35.2794 -110.137 -46.2171 -110.138 -250.073 -12.5445 -46.2174 -12.545 -259.612 GPRESSURE: 79000 -17.3922 -91.0793 -75.1367 -108.85 -237.537 -50.1995 -72.6591 -119.579 -218.716 PRESSAVG: 79000 -26.2953 50.5876 14.9229 50.5877 -16.7378 2.0713 14.9229 2.07129 20.8038 GPRESSAVG: 79000 -25.4144 51.6192 14.4537 51.2604 -17.7067 0.846744 17.8695 1.97081 21.1239 TIMING: 79000 CPU: 247.88, 0.00313207/step Wall: 247.88, 0.00313207/step, 4.28136 hours remaining, 226.542969 MB of memory in use. ENERGY: 79000 3997.6419 20643.4547 14479.3310 247.8221 -203451.7869 2641.9435 0.0000 0.0000 52171.5383 -109270.0555 299.8305 -161441.5938 -108904.7643 299.3318 -181.6549 -157.8816 762294.6007 -7.4098 -7.3324 PRESSURE: 79200 -220.553 -87.5607 77.7629 -87.5601 -102.318 303.93 77.7631 303.929 -113.421 GPRESSURE: 79200 -110.675 -129.094 190.795 -20.7005 -120.592 168.398 67.6184 237.237 -110.82 PRESSAVG: 79200 54.5228 -10.6435 -21.7049 -10.6435 -33.602 -1.56214 -21.7049 -1.56222 6.28355 GPRESSAVG: 79200 53.5855 -9.06492 -20.6948 -12.1397 -33.128 -2.82821 -24.734 -0.689263 6.39414 TIMING: 79200 CPU: 248.508, 0.00314155/step Wall: 248.508, 0.00314155/step, 4.29415 hours remaining, 226.542969 MB of memory in use. ENERGY: 79200 4020.5943 20557.6867 14504.8074 246.4206 -202946.6836 2477.4654 0.0000 0.0000 51969.1647 -109170.5446 298.6675 -161139.7092 -108803.8137 299.5913 -145.4310 -114.0288 762698.3687 9.0681 8.9506 PRESSURE: 79400 54.1913 197.677 183.563 197.676 -166.339 -189.323 183.563 -189.323 219.537 GPRESSURE: 79400 73.6465 137.874 201.676 195.288 -81.1649 -141.217 167.787 -118.881 189.937 PRESSAVG: 79400 -2.34499 25.5044 12.5699 25.5043 8.69858 -4.13328 12.5699 -4.13326 11.457 GPRESSAVG: 79400 -1.64966 24.3466 11.4178 26.2823 7.98786 -3.23959 13.6243 -5.84601 11.0941 TIMING: 79400 CPU: 249.132, 0.0031196/step Wall: 249.132, 0.0031196/step, 4.26397 hours remaining, 226.542969 MB of memory in use. ENERGY: 79400 3946.5685 20603.2297 14566.5251 252.0176 -203489.0717 2834.9372 0.0000 0.0000 52000.7318 -109285.0618 298.8489 -161285.7936 -108915.2431 299.4497 35.7964 60.8062 761753.2173 5.9369 5.8108 PRESSURE: 79600 -142.184 173.065 335.848 173.064 -142.516 14.5031 335.849 14.5036 -219.871 GPRESSURE: 79600 -40.4891 278.158 171.573 37.1797 -214.884 30.0022 231.631 -20.8556 -152.409 PRESSAVG: 79600 -37.7059 -13.8418 4.84804 -13.8418 21.3504 11.2911 4.84802 11.2911 8.33506 GPRESSAVG: 79600 -39.1047 -13.534 6.07176 -12.9146 21.7545 11.3832 7.29104 11.6184 9.67242 TIMING: 79600 CPU: 249.756, 0.00311985/step Wall: 249.756, 0.00311985/step, 4.26415 hours remaining, 226.542969 MB of memory in use. ENERGY: 79600 3969.9543 20618.5901 14556.3855 228.6086 -203105.9969 2301.1892 0.0000 0.0000 52041.8209 -109389.4484 299.0851 -161431.2693 -109029.3431 299.1465 -168.1905 -135.9273 762660.4114 -2.6734 -2.5592 PRESSURE: 79800 54.9457 -113.595 237.215 -113.596 306.518 -67.126 237.214 -67.1259 609.721 GPRESSURE: 79800 77.5403 -6.96015 194.621 -20.9928 320.64 -38.6579 249.145 -125.866 647.691 PRESSAVG: 79800 0.425139 -19.111 -25.7101 -19.1111 -5.53571 -7.15636 -25.7101 -7.15631 4.02449 GPRESSAVG: 79800 1.81716 -18.6669 -26.8014 -20.4053 -4.73546 -6.99896 -27.1789 -7.31147 1.43556 TIMING: 79800 CPU: 250.382, 0.00312702/step Wall: 250.382, 0.00312702/step, 4.27376 hours remaining, 226.542969 MB of memory in use. ENERGY: 79800 3961.2505 20581.5864 14579.6181 226.4042 -203284.9607 2757.3769 0.0000 0.0000 52018.6973 -109160.0273 298.9522 -161178.7247 -108800.8433 299.1663 323.7282 348.6240 763340.2328 -0.3620 -0.4942 PRESSURE: 80000 273.383 -16.1485 14.7785 -16.1479 4.68245 113.378 14.7785 113.378 441.869 GPRESSURE: 80000 230.217 0.862468 13.445 37.5284 112.237 -11.0925 32.0857 269.463 471.916 PRESSAVG: 80000 64.0917 -1.3405 -7.97367 -1.34049 -81.3599 43.9032 -7.9737 43.9032 6.52541 GPRESSAVG: 80000 62.8954 -3.23987 -7.35229 -1.34329 -80.759 42.6252 -7.96714 45.1584 7.71283 TIMING: 80000 CPU: 251.007, 0.00312473/step Wall: 251.007, 0.00312473/step, 4.27046 hours remaining, 226.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 80000 3986.1268 20686.8402 14598.5493 227.8669 -203754.9227 2974.8250 0.0000 0.0000 51983.2644 -109297.4501 298.7485 -161280.7145 -108940.7694 299.3505 239.9781 271.4565 762613.1922 -3.5809 -3.3836 PRESSURE: 80200 192.914 37.3951 -134.078 37.3951 -42.7841 131.295 -134.078 131.295 -352.165 GPRESSURE: 80200 183.139 57.9265 -66.9235 -23.9571 80.1783 96.5327 -113.632 65.2905 -376.468 PRESSAVG: 80200 11.2212 0.19356 7.37128 0.193521 -24.3715 26.5818 7.37123 26.5818 -1.93556 GPRESSAVG: 80200 10.8537 1.01035 6.24365 1.3803 -23.6875 26.1829 7.74836 25.1466 -1.99372 TIMING: 80200 CPU: 251.634, 0.0031382/step Wall: 251.634, 0.0031382/step, 4.2887 hours remaining, 226.687500 MB of memory in use. ENERGY: 80200 3895.3140 20531.3041 14580.4355 252.5450 -202828.3238 2252.0422 0.0000 0.0000 52184.6658 -109132.0171 299.9060 -161316.6829 -108767.6959 299.4233 -67.3451 -37.7171 761406.5471 -5.0286 -4.9425 LDB: ============= START OF LOAD BALANCING ============== 264.031 LDB: ============== END OF LOAD BALANCING =============== 264.031 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.033 LDB: ============= START OF LOAD BALANCING ============== 264.348 LDB: Largest compute 7067 load 0.031320 is 16.0% of average load 0.195312 LDB: Average compute 0.004367 is 2.2% of average load 0.195312 LDB: TIME 264.352 LOAD: AVG 0.195312 MAX 0.218753 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 224.934 MB LDB: TIME 264.352 LOAD: AVG 0.195312 MAX 0.218753 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.102 MB LDB: TIME 264.352 LOAD: AVG 0.195312 MAX 0.218753 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.102 MB LDB: ============== END OF LOAD BALANCING =============== 264.354 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.359 PRESSURE: 80400 77.3 -305.413 -140.404 -305.413 34.2853 18.4509 -140.404 18.4514 -81.3329 GPRESSURE: 80400 84.5316 -212.955 -254.844 -208.842 78.8631 33.5546 48.9507 36.6072 -36.9412 PRESSAVG: 80400 45.8537 -27.8154 -7.94282 -27.8155 -44.0309 16.6413 -7.94288 16.6413 9.25545 GPRESSAVG: 80400 46.3915 -27.5009 -7.40946 -29.1385 -45.2055 18.7072 -8.27961 16.6413 9.9857 TIMING: 80400 CPU: 252.277, 0.0032116/step Wall: 252.277, 0.0032116/step, 4.38883 hours remaining, 224.421875 MB of memory in use. ENERGY: 80400 4015.4380 20656.6537 14570.6525 247.2264 -203158.9729 2739.9580 0.0000 0.0000 51843.1611 -109085.8833 297.9434 -160929.0444 -108726.3615 299.7695 10.0841 42.1512 762463.5462 3.6928 3.7239 PRESSURE: 80600 142.165 255.003 6.78265 255.003 -330.223 -91.9908 6.78222 -91.9906 250.372 GPRESSURE: 80600 144.642 148.802 14.8631 79.6556 -318.854 -119.498 23.1094 -117.413 313.984 PRESSAVG: 80600 9.59164 -16.9225 -10.9698 -16.9225 -37.8087 -104.283 -10.9699 -104.283 -5.96932 GPRESSAVG: 80600 9.68969 -17.6725 -11.0375 -18.655 -38.7055 -104.349 -11.0735 -104.043 -5.69653 TIMING: 80600 CPU: 252.906, 0.0031465/step Wall: 252.906, 0.00314649/step, 4.29969 hours remaining, 224.421875 MB of memory in use. ENERGY: 80600 3992.7493 20648.7357 14428.8081 228.5944 -203359.8491 2545.1527 0.0000 0.0000 52521.6511 -108994.1578 301.8427 -161515.8089 -108624.8728 299.4683 20.7714 46.5904 760759.7726 -11.3955 -11.5708 PRESSURE: 80800 -23.2268 -109.844 157.666 -109.845 -45.9807 -60.9447 157.666 -60.9448 -69.5173 GPRESSURE: 80800 -24.8474 -115.045 101.615 -60.7418 9.89632 -160.538 144.549 -55.4481 -54.0113 PRESSAVG: 80800 36.2276 3.44196 -13.2911 3.4419 -48.8072 -16.4832 -13.2912 -16.4833 -4.00531 GPRESSAVG: 80800 36.1686 4.21637 -11.3998 6.96482 -48.5096 -18.2571 -15.4816 -15.82 -3.89817 TIMING: 80800 CPU: 253.529, 0.00311608/step Wall: 253.529, 0.00311608/step, 4.25794 hours remaining, 224.421875 MB of memory in use. ENERGY: 80800 3976.5126 20705.3745 14435.1836 228.7532 -203200.0806 2746.1716 0.0000 0.0000 52102.5848 -109005.5003 299.4343 -161108.0851 -108635.3581 300.2407 -46.2416 -22.9875 762224.3128 -5.5283 -5.4131 PRESSURE: 81000 225.008 -12.5179 6.41854 -12.5179 145.147 -42.386 6.41847 -42.3857 411.083 GPRESSURE: 81000 228.037 18.2 -47.3839 -105.564 212.796 -79.1818 1.1685 32.1234 391.467 PRESSAVG: 81000 29.888 -49.3049 19.3906 -49.3049 -55.6662 -20.5589 19.3907 -20.5589 -7.57576 GPRESSAVG: 81000 29.9613 -47.0309 18.0421 -52.6637 -55.8622 -20.7443 21.6491 -20.9361 -7.33835 TIMING: 81000 CPU: 254.153, 0.00311966/step Wall: 254.153, 0.00311966/step, 4.26267 hours remaining, 224.421875 MB of memory in use. ENERGY: 81000 3907.3242 20545.4171 14401.8092 241.2036 -203183.1844 2705.5886 0.0000 0.0000 52384.9969 -108996.8449 301.0573 -161381.8418 -108625.2023 300.1131 260.4127 277.4332 760867.6448 -11.1180 -11.0797 PRESSURE: 81200 -279.569 -105.659 -9.44641 -105.66 -257.437 -116.651 -9.44565 -116.65 249.587 GPRESSURE: 81200 -185.494 -98.9899 -6.88546 -56.1693 -210.579 -56.3083 15.2888 -116.23 184.667 PRESSAVG: 81200 8.76826 25.9358 52.3263 25.9358 -28.0078 36.1561 52.3263 36.1561 5.33938 GPRESSAVG: 81200 8.76096 22.9281 49.6209 28.2893 -27.0245 37.8829 53.5061 35.2049 4.32941 TIMING: 81200 CPU: 254.776, 0.00311605/step Wall: 254.776, 0.00311605/step, 4.25756 hours remaining, 224.421875 MB of memory in use. ENERGY: 81200 4051.1821 20533.9975 14470.6739 250.4211 -202807.9619 2374.8861 0.0000 0.0000 52184.9339 -108941.8672 299.9075 -161126.8010 -108582.1637 300.8988 -95.8062 -70.4684 761993.7523 -4.6334 -4.6447 PRESSURE: 81400 119.822 21.2317 63.0465 21.2324 92.0485 46.8878 63.0479 46.8876 -136.594 GPRESSURE: 81400 199.15 162.06 94.3485 16.1419 142.352 40.3584 -24.4653 -126.665 -164.652 PRESSAVG: 81400 12.4189 1.14704 -20.5418 1.14696 14.9517 27.718 -20.5418 27.7181 -21.8241 GPRESSAVG: 81400 12.4143 1.84421 -17.9357 0.412042 14.91 28.2987 -21.9209 25.9309 -21.7135 TIMING: 81400 CPU: 255.399, 0.00311148/step Wall: 255.399, 0.00311148/step, 4.25114 hours remaining, 224.421875 MB of memory in use. ENERGY: 81400 3956.0876 20534.2170 14451.4468 232.2468 -203076.9011 2521.9370 0.0000 0.0000 52111.9416 -109269.0243 299.4880 -161380.9659 -108894.4974 300.1448 25.0923 58.9500 760929.4621 1.8488 1.8703 PRESSURE: 81600 -150.788 -221.008 47.1737 -221.009 -21.6999 59.761 47.174 59.7627 -602.907 GPRESSURE: 81600 -185.103 -109.081 72.2716 -135.956 6.6902 35.7342 10.8579 155.921 -506.032 PRESSAVG: 81600 -10.7294 4.25075 37.1735 4.25072 -7.94966 -42.602 37.1736 -42.6019 2.54856 GPRESSAVG: 81600 -9.23157 4.05353 37.7894 4.36405 -10.1363 -42.4959 38.0597 -43.6144 3.12333 TIMING: 81600 CPU: 256.02, 0.00310455/step Wall: 256.02, 0.00310455/step, 4.24151 hours remaining, 224.421875 MB of memory in use. ENERGY: 81600 4023.1181 20526.8640 14430.4527 244.5951 -202889.1369 2382.7488 0.0000 0.0000 52130.5071 -109150.8510 299.5947 -161281.3581 -108788.9402 299.9653 -258.4647 -228.1483 762739.3712 -5.3768 -5.4149 PRESSURE: 81800 -161.999 -327.764 -97.5278 -327.764 111.402 -254.895 -97.5279 -254.895 53.8132 GPRESSURE: 81800 -8.08508 -333.346 -123.294 -321.19 94.5348 -261.877 -109.076 -232.797 3.81161 PRESSAVG: 81800 76.6377 -41.1762 12.1224 -41.1762 -50.888 10.8408 12.1224 10.8408 13.2982 GPRESSAVG: 81800 76.848 -40.9752 11.3668 -40.3804 -49.5635 10.2695 12.1332 13.6397 11.7604 TIMING: 81800 CPU: 256.643, 0.00311588/step Wall: 256.643, 0.00311588/step, 4.25682 hours remaining, 224.421875 MB of memory in use. ENERGY: 81800 3986.3450 20528.7260 14484.8705 232.2880 -203073.2930 2574.9339 0.0000 0.0000 52049.2795 -109216.8502 299.1279 -161266.1297 -108853.6650 300.0039 1.0723 30.0871 761546.1235 13.0160 13.0150 PRESSURE: 82000 -201.528 -141.203 212.995 -141.203 -400.201 87.4206 212.994 87.4199 -159.8 GPRESSURE: 82000 -274.214 -167.137 167.459 -147.491 -221.986 59.1681 210.484 44.4411 -182.336 PRESSAVG: 82000 -12.4344 -54.9762 52.2748 -54.9762 5.53455 -23.1624 52.2748 -23.1624 -6.19941 GPRESSAVG: 82000 -14.6336 -56.9979 51.7343 -54.2008 6.25366 -23.7467 52.0974 -23.386 -5.11064 TIMING: 82000 CPU: 257.268, 0.00312571/step Wall: 257.268, 0.00312571/step, 4.27007 hours remaining, 224.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 82000 3978.9204 20548.3439 14529.6572 261.1426 -202775.9851 2310.9702 0.0000 0.0000 52282.4099 -108864.5409 300.4677 -161146.9508 -108492.8663 299.8332 -253.8429 -226.1786 763003.1303 -4.3664 -4.4969 PRESSURE: 82200 159.509 181.27 -269.748 181.271 27.7984 86.8876 -269.748 86.8866 38.3141 GPRESSURE: 82200 156.437 91.3482 -272.697 108.198 55.6177 206.482 -117.027 140.903 95.8875 PRESSAVG: 82200 -23.6135 0.145786 54.7691 0.145823 4.65892 28.7901 54.7691 28.79 -0.363828 GPRESSAVG: 82200 -22.3519 0.416909 54.9165 -2.26109 4.5739 29.4963 57.2231 28.5608 -0.626982 TIMING: 82200 CPU: 257.894, 0.00312956/step Wall: 257.894, 0.00312956/step, 4.27516 hours remaining, 224.421875 MB of memory in use. ENERGY: 82200 3992.6623 20419.9729 14534.0664 251.7594 -202852.4537 2744.2251 0.0000 0.0000 52048.8199 -108860.9477 299.1253 -160909.7676 -108483.8056 300.3098 75.2072 102.6473 762457.3939 -6.4395 -6.1350 PRESSURE: 82400 -198.63 -66.7078 -231.45 -66.7072 -164.441 -93.7897 -231.45 -93.79 -198.235 GPRESSURE: 82400 -101.928 -102.55 -84.4544 -106.369 -244.899 -63.2275 -275.729 -86.2791 -126.295 PRESSAVG: 82400 20.6321 -23.1007 -31.9572 -23.1007 16.0577 -8.52438 -31.9573 -8.5244 -2.33551 GPRESSAVG: 82400 21.0418 -21.115 -32.7949 -21.6257 16.1166 -7.48852 -33.896 -9.44071 -3.1349 TIMING: 82400 CPU: 258.516, 0.00311284/step Wall: 258.516, 0.00311284/step, 4.25214 hours remaining, 224.421875 MB of memory in use. ENERGY: 82400 4032.0479 20595.6148 14533.1254 248.5646 -203402.4938 2633.0623 0.0000 0.0000 52385.1530 -108974.9258 301.0582 -161360.0788 -108602.4925 300.1927 -187.1022 -157.7076 762766.8243 11.4514 11.3412 PRESSURE: 82600 -150.079 -8.06803 -4.13419 -8.06857 110.162 -101.159 -4.13356 -101.158 1.62644 GPRESSURE: 82600 -75.9499 96.8107 30.245 24.3243 121.371 -144.056 115.55 -49.2341 7.93248 PRESSAVG: 82600 0.294055 19.548 10.2649 19.548 23.0297 32.6139 10.265 32.6138 5.13594 GPRESSAVG: 82600 -0.11934 19.671 11.6092 18.6313 22.5501 32.5031 8.94537 34.9215 6.07637 TIMING: 82600 CPU: 259.139, 0.00311486/step Wall: 259.139, 0.00311486/step, 4.25473 hours remaining, 224.421875 MB of memory in use. ENERGY: 82600 3988.8708 20614.4099 14458.2810 240.9365 -202830.2515 2601.4005 0.0000 0.0000 52138.5397 -108787.8132 299.6409 -160926.3529 -108432.7853 300.3892 -12.7635 17.7846 763166.7775 9.4866 9.5024 PRESSURE: 82800 -186.75 49.5394 134.007 49.5397 145.369 38.7929 134.008 38.7923 32.6503 GPRESSURE: 82800 -155.18 -43.826 127.998 24.417 197.889 5.8361 18.1946 -82.9503 50.3055 PRESSAVG: 82800 -32.2685 -18.9574 -23.9744 -18.9574 -3.14681 26.9036 -23.9744 26.9036 -18.6227 GPRESSAVG: 82800 -32.9854 -19.1817 -25.7996 -18.4405 -3.40987 25.4996 -22.3048 26.4118 -17.8991 TIMING: 82800 CPU: 259.762, 0.00311336/step Wall: 259.762, 0.00311336/step, 4.25251 hours remaining, 224.421875 MB of memory in use. ENERGY: 82800 4017.0000 20438.5603 14517.9840 270.6982 -203224.4279 2948.9711 0.0000 0.0000 52305.1121 -108726.1023 300.5982 -161031.2144 -108357.3180 300.6668 -2.9101 31.0049 763803.8199 -18.0126 -18.0981 PRESSURE: 83000 -36.2186 -93.0444 -274.901 -93.0445 -143.207 5.03095 -274.902 5.03006 244.612 GPRESSURE: 83000 -11.3675 -58.4355 -190.339 -41.5509 -45.6756 19.8791 -340.403 3.77425 193.995 PRESSAVG: 83000 -46.7126 11.8161 -24.6689 11.8161 49.1966 -10.8063 -24.6689 -10.8062 -0.598979 GPRESSAVG: 83000 -45.588 11.0429 -24.7987 14.4862 49.405 -10.6725 -24.9004 -13.0867 -1.81309 TIMING: 83000 CPU: 260.388, 0.00313015/step Wall: 260.388, 0.00313015/step, 4.27526 hours remaining, 224.421875 MB of memory in use. ENERGY: 83000 4000.4233 20467.9356 14564.5242 256.1087 -202824.4870 2472.4055 0.0000 0.0000 52333.3643 -108729.7255 300.7606 -161063.0897 -108353.8304 300.2681 21.7286 45.6506 762841.2506 0.6284 0.6680 PRESSURE: 83200 212.599 139.519 160.392 139.52 222.938 178.467 160.391 178.467 37.3043 GPRESSURE: 83200 269.367 112.965 111.382 155.915 270.884 141.791 110.209 155.348 7.04592 PRESSAVG: 83200 19.6305 -24.6313 -46.6225 -24.6313 -31.5503 -72.0968 -46.6226 -72.0967 27.2981 GPRESSAVG: 83200 18.8667 -23.1733 -47.0261 -27.2547 -30.7122 -70.145 -45.9536 -73.5024 27.2537 TIMING: 83200 CPU: 261.013, 0.00312481/step Wall: 261.013, 0.00312481/step, 4.26779 hours remaining, 224.421875 MB of memory in use. ENERGY: 83200 3967.0957 20585.9950 14462.0022 241.3945 -202756.1396 2523.9544 0.0000 0.0000 52415.9376 -108559.7602 301.2351 -160975.6978 -108197.9425 300.5943 157.6139 182.4325 761225.7277 5.1261 5.1361 PRESSURE: 83400 72.9235 -157.134 -111.435 -157.134 197.96 -143.845 -111.434 -143.844 197.099 GPRESSURE: 83400 221.208 -200.019 -101.102 -91.8625 90.1121 -99.219 -47.2542 -97.6507 242.948 PRESSAVG: 83400 -18.4399 -16.836 2.27831 -16.836 -0.696795 24.3724 2.2783 24.3723 -10.0543 GPRESSAVG: 83400 -17.9844 -15.8627 3.41062 -15.3514 -0.150915 23.0568 1.63626 27.1889 -10.6553 TIMING: 83400 CPU: 261.638, 0.00312391/step Wall: 261.638, 0.00312391/step, 4.26639 hours remaining, 224.421875 MB of memory in use. ENERGY: 83400 4012.6337 20699.3826 14466.7272 257.8925 -202804.5096 2560.7451 0.0000 0.0000 52172.8909 -108634.2376 299.8383 -160807.1285 -108272.4390 301.2700 155.9941 184.7562 760814.0585 -9.7303 -9.5969 PRESSURE: 83600 -481.761 36.6418 -127.465 36.6417 -133.012 -214.238 -127.465 -214.239 51.8676 GPRESSURE: 83600 -373.231 -5.10209 -35.959 94.9787 -217.234 -111.315 -96.9679 -317.026 115.874 PRESSAVG: 83600 -25.7606 -11.499 -14.854 -11.499 68.469 -30.6413 -14.854 -30.6411 -4.39019 GPRESSAVG: 83600 -26.2329 -13.4067 -15.7711 -11.629 67.9469 -31.6154 -15.056 -30.1101 -3.67679 TIMING: 83600 CPU: 262.264, 0.00312955/step Wall: 262.264, 0.00312955/step, 4.27392 hours remaining, 224.421875 MB of memory in use. ENERGY: 83600 4038.0100 20456.8912 14439.3146 270.4762 -203023.2676 2477.6336 0.0000 0.0000 52477.7348 -108863.2071 301.5903 -161340.9419 -108501.6548 300.5242 -187.6353 -158.1966 760511.1801 12.7727 12.6791 PRESSURE: 83800 322.582 -105.081 -61.7243 -105.081 -91.2513 -174.331 -61.7245 -174.332 191.835 GPRESSURE: 83800 320.83 -95.1482 -2.81117 -76.2065 -35.8282 -173.708 -81.3049 1.05635 220.317 PRESSAVG: 83800 -6.48358 -0.23555 23.7739 -0.235634 42.9545 -17.8246 23.7739 -17.8246 -1.53058 GPRESSAVG: 83800 -6.3645 0.928583 25.3484 -1.28577 43.4871 -16.2637 26.0526 -18.476 -1.83396 TIMING: 83800 CPU: 262.894, 0.00315184/step Wall: 262.894, 0.00315183/step, 4.30418 hours remaining, 224.421875 MB of memory in use. ENERGY: 83800 3867.8270 20480.1456 14494.7663 244.6712 -202883.8831 2449.8489 0.0000 0.0000 52195.2553 -109151.3689 299.9668 -161346.6242 -108786.8861 300.1812 141.0553 168.4395 760729.4211 11.6468 11.7629 PRESSURE: 84000 -256.663 -90.6592 -42.541 -90.6598 124.353 67.171 -42.5412 67.1724 211.912 GPRESSURE: 84000 -147.989 -87.3673 12.2085 -148.597 89.3711 106.507 -39.1101 86.1353 237.53 PRESSAVG: 84000 -66.6864 -52.7752 -3.77263 -52.7753 48.7778 4.99894 -3.7727 4.99897 26.8889 GPRESSAVG: 84000 -66.1745 -54.8732 -4.71384 -52.2413 47.4417 4.53104 -6.68062 4.78339 26.9867 TIMING: 84000 CPU: 263.521, 0.00313358/step Wall: 263.521, 0.00313358/step, 4.27907 hours remaining, 224.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 84000 3986.8210 20558.3177 14412.0651 243.3182 -203195.7640 2652.2309 0.0000 0.0000 52472.4258 -108870.5853 301.5598 -161343.0111 -108506.8273 300.1418 26.5336 59.6375 762168.5851 2.9934 2.7513 PRESSURE: 84200 -168.67 -98.5778 -32.3838 -98.5778 -436.495 -214.348 -32.3844 -214.349 -141.318 GPRESSURE: 84200 -137.616 -50.9055 16.6743 -67.0777 -320.844 -281.046 -80.0642 -124.326 -173.197 PRESSAVG: 84200 -13.7516 -69.9074 -0.856832 -69.9074 13.3831 -4.18513 -0.856833 -4.18521 15.3913 GPRESSAVG: 84200 -14.1795 -67.405 -0.201021 -70.6888 15.2683 -6.10876 0.225159 -3.12191 14.1085 TIMING: 84200 CPU: 264.148, 0.00313527/step Wall: 264.148, 0.00313527/step, 4.28121 hours remaining, 224.421875 MB of memory in use. ENERGY: 84200 3994.2129 20536.4172 14515.8800 252.0842 -202756.8342 2403.5114 0.0000 0.0000 52164.8968 -108889.8318 299.7924 -161054.7286 -108535.4301 300.2729 -248.8275 -210.5523 762016.5292 5.0076 5.0658 LDB: ============= START OF LOAD BALANCING ============== 276.542 LDB: ============== END OF LOAD BALANCING =============== 276.542 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 276.544 LDB: ============= START OF LOAD BALANCING ============== 276.856 LDB: Largest compute 7067 load 0.033142 is 17.0% of average load 0.195361 LDB: Average compute 0.004383 is 2.2% of average load 0.195361 LDB: TIME 276.859 LOAD: AVG 0.195361 MAX 0.219168 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.73 MB LDB: TIME 276.859 LOAD: AVG 0.195361 MAX 0.219168 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.934 MB LDB: TIME 276.86 LOAD: AVG 0.195361 MAX 0.219168 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.934 MB LDB: ============== END OF LOAD BALANCING =============== 276.862 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 276.866 PRESSURE: 84400 279.077 44.7876 -28.0771 44.7866 191.239 169.697 -28.0774 169.698 -211.449 GPRESSURE: 84400 248.099 91.836 19.2069 -66.8723 236.965 228.802 -13.181 49.1924 -151.803 PRESSAVG: 84400 5.84552 -34.2891 7.23367 -34.2891 -5.7053 20.684 7.23368 20.6839 -5.36374 GPRESSAVG: 84400 5.29137 -33.7873 6.10662 -34.0413 -5.97705 21.9677 6.83251 18.4244 -4.60534 TIMING: 84400 CPU: 264.784, 0.00317976/step Wall: 264.784, 0.00317976/step, 4.34179 hours remaining, 225.648438 MB of memory in use. ENERGY: 84400 4003.3083 20578.2013 14489.8776 237.7095 -203280.9570 2800.5512 0.0000 0.0000 52267.0854 -108904.2237 300.3797 -161171.3091 -108538.7680 300.3407 86.2890 111.0870 762777.7375 -1.7412 -1.7637 PRESSURE: 84600 -49.5044 87.9731 -162.969 87.9731 473.557 -95.7819 -162.969 -95.7828 213.487 GPRESSURE: 84600 97.2373 83.2654 -143.402 122.232 295.861 -59.8972 -97.9146 -77.4531 306.071 PRESSAVG: 84600 -15.9634 9.9138 7.23965 9.91383 25.8959 -0.714562 7.23972 -0.714652 17.8829 GPRESSAVG: 84600 -16.4716 8.73803 8.28396 10.6801 24.5708 -1.22839 7.41755 0.527246 19.6051 TIMING: 84600 CPU: 265.409, 0.00312475/step Wall: 265.409, 0.00312475/step, 4.2665 hours remaining, 225.851562 MB of memory in use. ENERGY: 84600 4021.1214 20442.9677 14493.3639 265.8948 -203538.0238 2846.1059 0.0000 0.0000 52400.5431 -109068.0270 301.1466 -161468.5702 -108706.7953 300.6773 212.5131 233.0565 762244.6323 9.2718 9.2348 PRESSURE: 84800 -18.1929 60.0243 -137.697 60.0237 -377.98 -229.913 -137.697 -229.914 -516.059 GPRESSURE: 84800 60.2271 142.772 -120.812 -3.07895 -377.053 -263.77 -223.09 -336.95 -515.54 PRESSAVG: 84800 6.94679 12.7845 -34.9021 12.7844 -34.9464 -10.2888 -34.902 -10.2888 -9.51218 GPRESSAVG: 84800 9.20604 12.6963 -34.0613 11.6007 -34.8931 -11.007 -34.1831 -9.39763 -11.3758 TIMING: 84800 CPU: 266.035, 0.00313371/step Wall: 266.035, 0.00313371/step, 4.27856 hours remaining, 225.851562 MB of memory in use. ENERGY: 84800 3931.9885 20456.7945 14529.1206 260.9596 -202862.7946 2504.2660 0.0000 0.0000 52084.4060 -109095.2593 299.3298 -161179.6654 -108733.0118 299.4463 -304.0775 -277.4555 761050.5839 -12.5039 -12.3543 PRESSURE: 85000 32.3184 67.3069 -144.581 67.307 22.021 -62.2127 -144.581 -62.2138 156.861 GPRESSURE: 85000 106.575 -42.8683 -196.851 101.645 46.2714 -90.1574 -127.054 98.0302 158.081 PRESSAVG: 85000 -40.4026 20.126 -6.40684 20.126 41.3909 -7.54584 -6.40682 -7.54591 14.1877 GPRESSAVG: 85000 -42.3471 19.8995 -7.24034 20.1913 41.6809 -8.23601 -6.26355 -8.02965 15.5542 TIMING: 85000 CPU: 266.663, 0.00313802/step Wall: 266.663, 0.00313802/step, 4.28427 hours remaining, 225.917969 MB of memory in use. ENERGY: 85000 3937.4682 20434.3677 14470.7911 240.2969 -202800.3227 2330.9529 0.0000 0.0000 52074.8882 -109311.5577 299.2751 -161386.4459 -108940.1675 299.8031 70.4002 103.6427 760253.2437 5.0587 4.9627 PRESSURE: 85200 290.001 -265.85 -185.815 -265.85 -38.7431 -0.0242341 -185.815 -0.02439 148.631 GPRESSURE: 85200 349.343 -254.06 -175.306 -183.674 -77.4488 11.3343 -166.829 117.202 223.883 PRESSAVG: 85200 -5.97419 -67.7303 -23.4684 -67.7303 11.0882 -37.8811 -23.4684 -37.8811 25.1098 GPRESSAVG: 85200 -5.5811 -67.4024 -23.6998 -66.4968 11.9529 -38.2747 -24.7359 -36.3344 23.2139 TIMING: 85200 CPU: 267.293, 0.00315058/step Wall: 267.293, 0.00315058/step, 4.30124 hours remaining, 225.917969 MB of memory in use. ENERGY: 85200 3982.5912 20466.3542 14486.0167 250.6641 -203544.2033 2974.1742 0.0000 0.0000 52091.9375 -109292.4654 299.3731 -161384.4029 -108931.5857 299.0994 133.2964 165.2588 761733.0768 10.0746 9.8619 PRESSURE: 85400 -5.83971 122.97 64.6232 122.97 -85.1665 295.116 64.623 295.115 -278.634 GPRESSURE: 85400 -26.3439 16.8113 75.0599 -6.33932 -13.0558 276.22 29.5145 206.388 -233.487 PRESSAVG: 85400 -10.8657 -28.5888 -1.9497 -28.5888 44.9236 13.0975 -1.94967 13.0976 -3.8929 GPRESSAVG: 85400 -10.2551 -28.9357 -2.49592 -29.4768 44.3702 15.7502 1.38172 9.58256 -3.84249 TIMING: 85400 CPU: 267.922, 0.00314187/step Wall: 267.922, 0.00314187/step, 4.28917 hours remaining, 225.917969 MB of memory in use. ENERGY: 85400 4007.9088 20539.0690 14431.5187 239.6116 -203074.1635 2639.7844 0.0000 0.0000 51998.0403 -109218.2306 298.8335 -161216.2709 -108867.1454 299.5267 -123.2133 -90.9622 763205.9786 10.0550 10.0909 PRESSURE: 85600 -45.2897 13.3832 47.1463 13.3838 72.9643 37.0262 47.1465 37.0257 43.4463 GPRESSURE: 85600 8.1768 -67.2983 -19.8291 58.7019 23.974 28.7284 141.184 -49.2321 113.375 PRESSAVG: 85600 -44.5917 13.2774 57.1062 13.2773 62.1967 44.9022 57.1063 44.9023 5.38567 GPRESSAVG: 85600 -45.2292 13.1465 56.4006 14.0022 61.9487 44.0977 56.9883 46.2529 5.61201 TIMING: 85600 CPU: 268.553, 0.003155/step Wall: 268.553, 0.003155/step, 4.30692 hours remaining, 225.984375 MB of memory in use. ENERGY: 85600 4021.0606 20529.7365 14416.9501 247.8923 -203400.2887 2827.2509 0.0000 0.0000 51986.7959 -109370.6023 298.7688 -161357.3982 -109020.5753 299.2717 23.7070 48.5084 762501.8457 7.6636 7.4438 PRESSURE: 85800 -223.311 38.6213 64.9874 38.6218 -49.4548 149.864 64.988 149.862 80.4868 GPRESSURE: 85800 -210.754 -11.7284 27.7696 7.58053 96.0494 103.763 -49.6583 235.368 21.9102 PRESSAVG: 85800 -47.4139 10.3662 -2.30817 10.3662 30.5831 16.549 -2.3082 16.5489 -14.0536 GPRESSAVG: 85800 -47.5802 10.2086 -2.05472 10.1506 31.1908 16.444 -5.69571 18.6384 -14.0042 TIMING: 85800 CPU: 269.182, 0.00314502/step Wall: 269.182, 0.00314502/step, 4.29313 hours remaining, 225.984375 MB of memory in use. ENERGY: 85800 3992.6521 20406.4157 14448.9158 255.0483 -203094.1048 2743.7282 0.0000 0.0000 52093.1386 -109154.2063 299.3800 -161247.3448 -108778.5438 299.4837 -64.0929 -30.9316 761726.4571 -10.2948 -10.1312 PRESSURE: 86000 55.8585 -174.489 -23.0712 -174.49 -46.5851 -24.413 -23.0722 -24.413 -484.515 GPRESSURE: 86000 87.9812 -199.231 81.7531 -112.167 -85.0211 -92.4969 -16.8875 -38.7325 -394.093 PRESSAVG: 86000 -13.7915 -22.0179 -17.5721 -22.0179 20.1565 44.4345 -17.5722 44.4346 7.17662 GPRESSAVG: 86000 -13.9221 -22.1055 -16.547 -24.0253 19.4845 43.5481 -16.0232 42.5405 7.8962 TIMING: 86000 CPU: 269.811, 0.00314558/step Wall: 269.811, 0.00314558/step, 4.29372 hours remaining, 225.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 86000 3988.4630 20438.0717 14518.2387 261.9214 -203438.8354 2717.3682 0.0000 0.0000 52159.2288 -109355.5436 299.7598 -161514.7724 -108981.7967 299.6407 -158.4140 -130.3775 762980.2244 4.5139 4.4862 PRESSURE: 86200 23.332 -13.7002 90.1585 -13.7009 359.376 130.43 90.1585 130.43 260.155 GPRESSURE: 86200 64.368 36.1643 134.03 -30.3281 324.854 130.091 79.7222 287.955 329.243 PRESSAVG: 86200 0.0877826 -25.028 -11.5558 -25.0279 30.9131 -12.4571 -11.5558 -12.4572 -10.4396 GPRESSAVG: 86200 0.276547 -22.9075 -11.6142 -23.7937 30.2548 -12.6965 -12.7232 -11.2472 -10.2124 TIMING: 86200 CPU: 270.438, 0.00313661/step Wall: 270.438, 0.00313661/step, 4.28129 hours remaining, 225.984375 MB of memory in use. ENERGY: 86200 3887.4233 20495.8937 14413.5835 239.1297 -203377.1243 2805.9061 0.0000 0.0000 52146.7559 -109388.4321 299.6881 -161535.1880 -109017.5445 298.7330 214.2878 239.4884 761746.7699 6.8538 6.7730 PRESSURE: 86400 136.161 -155.541 -204.601 -155.54 -105.199 -251.087 -204.6 -251.086 -247.975 GPRESSURE: 86400 102.21 -157.109 -168.35 -87.9369 -38.612 -263.908 -297.462 -282.412 -199.06 PRESSAVG: 86400 -10.3287 -22.575 -35.161 -22.5751 -26.9051 -1.07119 -35.1611 -1.07115 0.875024 GPRESSAVG: 86400 -10.4095 -24.2246 -37.7803 -23.0476 -26.2778 -0.567588 -31.7676 -2.94808 0.0267298 TIMING: 86400 CPU: 271.062, 0.00312048/step Wall: 271.062, 0.00312048/step, 4.2591 hours remaining, 225.984375 MB of memory in use. ENERGY: 86400 4036.9931 20486.6618 14503.7628 246.0093 -203247.3100 2545.6113 0.0000 0.0000 52191.7505 -109236.5213 299.9467 -161428.2717 -108877.2369 299.0288 -72.3376 -45.1542 762616.5611 -12.1196 -12.2202 PRESSURE: 86600 3.91617 -98.166 -217.697 -98.1655 42.8841 117.648 -217.696 117.649 -284.161 GPRESSURE: 86600 -9.27187 -117.336 -178.572 -126.75 129.101 96.9102 -218.587 -50.6634 -271.37 PRESSAVG: 86600 2.36319 -67.5253 19.6933 -67.5253 -0.813666 -11.1076 19.6933 -11.1076 6.09235 GPRESSAVG: 86600 2.74915 -67.413 21.8793 -68.4249 -2.22419 -11.4325 18.3277 -9.45115 7.2022 TIMING: 86600 CPU: 271.689, 0.00313465/step Wall: 271.689, 0.00313465/step, 4.27827 hours remaining, 225.984375 MB of memory in use. ENERGY: 86600 4007.4644 20471.3603 14463.4347 237.0149 -203431.1197 2803.1876 0.0000 0.0000 52070.0983 -109378.5595 299.2476 -161448.6578 -109017.3113 299.2473 -79.1203 -50.5136 763834.6653 2.5473 2.5757 PRESSURE: 86800 179.332 -73.2014 82.9492 -73.2012 22.857 250.112 82.9491 250.111 221.54 GPRESSURE: 86800 225.672 -53.0786 19.6854 -58.5484 62.0874 190.583 53.7986 324.634 225.38 PRESSAVG: 86800 1.69873 -30.0252 0.0663106 -30.0252 -11.2438 -23.3709 0.066279 -23.371 0.183103 GPRESSAVG: 86800 -1.03413 -29.6716 0.575138 -27.5414 -8.64199 -21.6562 -0.662486 -26.533 0.110998 TIMING: 86800 CPU: 272.316, 0.00313314/step Wall: 272.316, 0.00313314/step, 4.27605 hours remaining, 225.984375 MB of memory in use. ENERGY: 86800 4001.0742 20548.3668 14481.0228 245.8736 -203477.8437 2753.3038 0.0000 0.0000 52090.5067 -109357.6959 299.3649 -161448.2026 -108998.1570 299.2956 141.2430 171.0465 762452.1581 -3.1207 -3.1884 PRESSURE: 87000 16.2132 82.4124 63.1383 82.4126 -25.2143 -115.344 63.1377 -115.344 -171.752 GPRESSURE: 87000 -2.86269 -39.1809 -2.75939 -24.7833 35.5186 -139.029 2.83878 -146.36 -135.994 PRESSAVG: 87000 -37.4857 -44.4631 -26.5727 -44.4631 16.2028 -7.19342 -26.5727 -7.19338 16.4754 GPRESSAVG: 87000 -36.5473 -42.708 -29.2332 -43.6829 15.5071 -7.85375 -25.6346 -6.11087 16.0548 TIMING: 87000 CPU: 272.937, 0.00310792/step Wall: 272.937, 0.00310792/step, 4.24144 hours remaining, 225.984375 MB of memory in use. ENERGY: 87000 3995.1941 20499.7685 14405.1275 236.5642 -202971.5814 2684.4330 0.0000 0.0000 52009.9818 -109140.5124 298.9021 -161150.4941 -108785.2231 299.6179 -60.2509 -34.4462 762761.5533 -1.6025 -1.6618 PRESSURE: 87200 -250.848 84.7766 138.529 84.7755 -48.9953 182.403 138.529 182.403 -204.194 GPRESSURE: 87200 -190.473 5.39998 44.6851 48.5633 -2.35157 196.562 192.101 142.805 -221.922 PRESSAVG: 87200 11.0044 17.5129 11.2228 17.5129 -10.506 -7.87117 11.2229 -7.87107 8.86019 GPRESSAVG: 87200 10.925 14.9579 13.259 14.9749 -10.3169 -8.67175 11.7434 -5.92913 8.29288 TIMING: 87200 CPU: 273.563, 0.0031296/step Wall: 273.563, 0.0031296/step, 4.27086 hours remaining, 225.984375 MB of memory in use. ENERGY: 87200 3989.6298 20648.0871 14405.9179 254.4480 -203193.6318 2326.8428 0.0000 0.0000 52430.0698 -109138.6364 301.3163 -161568.7062 -108771.7175 300.5976 -168.0125 -138.2487 763278.9665 3.1195 2.9670 PRESSURE: 87400 191.833 48.1389 159.941 48.1396 164.745 -127.284 159.942 -127.284 -78.2281 GPRESSURE: 87400 179.176 69.7768 104.865 95.233 197.976 -175.781 215.002 -115.931 -45.1295 PRESSAVG: 87400 40.1012 1.66 -38.9093 1.65995 -18.076 -2.21153 -38.9093 -2.21152 -9.44111 GPRESSAVG: 87400 40.0137 0.292269 -41.5399 2.88576 -18.6957 -1.56561 -38.7609 -3.64496 -9.32732 TIMING: 87400 CPU: 274.19, 0.00313404/step Wall: 274.19, 0.00313404/step, 4.27674 hours remaining, 225.984375 MB of memory in use. ENERGY: 87400 4001.8545 20584.6426 14426.0641 272.3944 -203520.5571 2776.0735 0.0000 0.0000 52227.4777 -109232.0503 300.1520 -161459.5280 -108860.5076 299.9180 92.7831 110.6739 761111.7926 4.1947 3.9969 PRESSURE: 87600 -259.889 208.06 101.692 208.061 -101.255 -168.525 101.691 -168.526 -92.3626 GPRESSURE: 87600 -296.43 272.506 85.319 268.117 40.8275 -154.118 125.609 -109.583 -103.631 PRESSAVG: 87600 28.2118 -46.7171 -11.5202 -46.7171 -21.2803 -0.825467 -11.5202 -0.825391 -16.7357 GPRESSAVG: 87600 29.0067 -45.4321 -10.4085 -45.6554 -23.1839 -0.451426 -14.5881 0.703405 -15.7268 TIMING: 87600 CPU: 274.816, 0.00313043/step Wall: 274.816, 0.00313043/step, 4.27165 hours remaining, 225.984375 MB of memory in use. ENERGY: 87600 3988.1315 20557.4360 14439.1789 249.9094 -203182.1699 2512.7301 0.0000 0.0000 52297.9500 -109136.8340 300.5570 -161434.7840 -108772.8492 299.8722 -151.1687 -119.7444 762937.3752 -3.2681 -3.3013 PRESSURE: 87800 -92.1678 -107.364 74.1114 -107.364 -77.3075 25.0994 74.1107 25.0984 49.3614 GPRESSURE: 87800 -124.48 -99.6565 54.2694 -110.967 45.3102 17.4206 44.912 -61.6156 34.8938 PRESSAVG: 87800 39.9728 -8.7922 39.3371 -8.79226 2.38436 -28.5769 39.3372 -28.5769 8.53919 GPRESSAVG: 87800 39.1213 -8.5983 39.859 -8.60775 3.96062 -26.4254 39.3349 -31.7041 7.33913 TIMING: 87800 CPU: 275.447, 0.0031526/step Wall: 275.447, 0.0031526/step, 4.30172 hours remaining, 225.984375 MB of memory in use. ENERGY: 87800 3990.5078 20540.0052 14428.2215 272.6080 -203623.4410 2662.6957 0.0000 0.0000 52387.9608 -109341.4418 301.0743 -161729.4027 -108964.4397 299.6580 -40.0380 -14.7585 761261.3951 16.9654 16.8070 PRESSURE: 88000 228.502 -195.838 -7.9211 -195.839 456.798 -150.554 -7.9212 -150.553 177.462 GPRESSURE: 88000 324.904 -239.131 -55.9545 -66.6468 399.342 -133.874 -32.6493 -94.8445 245.551 PRESSAVG: 88000 -10.3369 -51.5941 -0.744926 -51.5941 14.7282 -93.31 -0.74492 -93.3101 21.4362 GPRESSAVG: 88000 -10.7795 -51.7063 0.150617 -51.9697 15.5891 -94.8304 -0.739736 -89.5572 21.1582 TIMING: 88000 CPU: 276.074, 0.0031372/step Wall: 276.074, 0.0031372/step, 4.28054 hours remaining, 225.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 88000 3937.7937 20542.6763 14423.9621 247.2958 -203731.6469 2943.8696 0.0000 0.0000 52183.3050 -109452.7444 299.8982 -161636.0494 -109085.8903 298.9797 287.5875 323.2657 759863.9130 8.6092 8.6559 PRESSURE: 88200 -60.1153 4.44803 45.2348 4.44821 -388.594 -255.546 45.2344 -255.546 -198.37 GPRESSURE: 88200 -12.121 38.0052 42.4474 -4.06179 -350.021 -245.468 63.8831 -168.136 -197.662 PRESSAVG: 88200 -34.409 -16.5993 -9.50408 -16.5994 15.7046 -22.578 -9.50406 -22.578 -15.1691 GPRESSAVG: 88200 -33.6412 -17.5388 -9.73852 -16.9014 14.7112 -21.5021 -8.3643 -24.1701 -14.458 TIMING: 88200 CPU: 276.703, 0.00314699/step Wall: 276.703, 0.00314699/step, 4.29372 hours remaining, 225.984375 MB of memory in use. ENERGY: 88200 3980.0985 20583.9439 14494.4707 244.0475 -203406.9908 2595.4668 0.0000 0.0000 51978.9894 -109529.9738 298.7240 -161508.9632 -109182.1452 298.7771 -215.6932 -186.6014 761212.4810 -11.2912 -11.1293 LDB: ============= START OF LOAD BALANCING ============== 289.1 LDB: ============== END OF LOAD BALANCING =============== 289.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 289.102 LDB: ============= START OF LOAD BALANCING ============== 289.415 LDB: Largest compute 7067 load 0.033749 is 17.3% of average load 0.195404 LDB: Average compute 0.004368 is 2.2% of average load 0.195404 LDB: TIME 289.418 LOAD: AVG 0.195404 MAX 0.218372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.754 MB LDB: TIME 289.419 LOAD: AVG 0.195404 MAX 0.218372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.754 MB LDB: TIME 289.419 LOAD: AVG 0.195404 MAX 0.218372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 289.421 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 289.426 PRESSURE: 88400 -6.76667 -81.5414 19.983 -81.5409 184.246 96.0716 19.9841 96.072 362.171 GPRESSURE: 88400 112.018 -98.7008 90.1631 -57.7732 128.178 43.4287 101.173 -5.36745 373.957 PRESSAVG: 88400 -55.2145 -25.3927 -27.3038 -25.3927 78.1219 -17.855 -27.3038 -17.8551 -0.0597215 GPRESSAVG: 88400 -54.359 -22.4686 -26.562 -28.3235 77.2531 -18.1387 -27.8613 -18.4086 0.121284 TIMING: 88400 CPU: 277.343, 0.00319792/step Wall: 277.343, 0.00319792/step, 4.36303 hours remaining, 225.457031 MB of memory in use. ENERGY: 88400 4032.1813 20583.4386 14492.0501 240.7641 -203761.2334 2926.1321 0.0000 0.0000 52026.6288 -109460.0384 298.9978 -161486.6672 -109102.6472 299.1173 179.8834 204.7177 762063.6902 7.6159 7.6718 PRESSURE: 88600 -177.752 -189.788 -33.5859 -189.788 9.87747 -6.25553 -33.5862 -6.25638 -295.336 GPRESSURE: 88600 -253.194 -178.185 47.316 -267.243 147.115 16.342 -93.7952 -113.083 -264.834 PRESSAVG: 88600 19.5701 1.76327 10.2559 1.76333 -37.6546 81.648 10.2559 81.6481 -14.1016 GPRESSAVG: 88600 19.5714 0.875593 10.0501 4.78543 -37.9277 79.2898 9.81799 83.3551 -13.4902 TIMING: 88600 CPU: 277.972, 0.00314657/step Wall: 277.972, 0.00314657/step, 4.29279 hours remaining, 225.660156 MB of memory in use. ENERGY: 88600 3957.3836 20660.8451 14384.5778 260.1923 -203495.6543 2574.7199 0.0000 0.0000 52176.4981 -109481.4375 299.8591 -161657.9356 -109114.8766 299.8014 -154.4032 -123.6377 761420.9486 -10.7287 -10.6155 PRESSURE: 88800 280.62 29.2722 41.643 29.2717 79.3636 125.329 41.642 125.329 -76.2419 GPRESSURE: 88800 266.303 21.2904 7.0128 122.814 138.759 116.515 -5.57581 -26.7154 -42.9238 PRESSAVG: 88800 18.0159 -30.0417 35.3673 -30.0417 11.9023 9.74234 35.3674 9.74234 7.74818 GPRESSAVG: 88800 16.9409 -28.9424 32.2174 -29.3329 13.3483 11.7745 35.1635 7.66061 7.30306 TIMING: 88800 CPU: 278.603, 0.00315567/step Wall: 278.603, 0.00315567/step, 4.30504 hours remaining, 225.660156 MB of memory in use. ENERGY: 88800 4015.1383 20516.4431 14439.4804 254.7756 -204005.0682 2803.0595 0.0000 0.0000 52197.9217 -109778.2497 299.9822 -161976.1713 -109415.8623 299.4726 94.5807 120.7128 760435.6795 12.5554 12.5308 PRESSURE: 89000 176.408 -205.681 -265.218 -205.681 -11.9586 112.632 -265.218 112.632 411.785 GPRESSURE: 89000 199.724 -199.136 -344.905 -53.5873 29.1587 99.5067 -206.532 94.32 420.369 PRESSAVG: 89000 2.26429 34.9933 -6.2632 34.9933 33.1054 22.3498 -6.26325 22.3499 -1.88345 GPRESSAVG: 89000 1.62998 34.5086 -5.34882 34.2286 34.0066 21.3933 -5.98489 22.7449 -2.71458 TIMING: 89000 CPU: 279.233, 0.00314961/step Wall: 279.233, 0.0031496/step, 4.29659 hours remaining, 225.660156 MB of memory in use. ENERGY: 89000 4039.2884 20341.8799 14451.0083 274.6170 -203802.7804 2678.7811 0.0000 0.0000 52024.2063 -109992.9994 298.9838 -162017.2057 -109618.3539 298.8194 192.0782 216.4173 759682.3344 11.1621 10.9740 PRESSURE: 89200 -370.436 41.7058 19.6381 41.7053 -419.485 -108.512 19.6374 -108.512 -71.9478 GPRESSURE: 89200 -317.635 -44.88 -25.8332 138.392 -367.866 -73.0828 -11.5353 -192.807 -96.4054 PRESSAVG: 89200 17.172 44.813 45.126 44.813 34.672 4.26054 45.126 4.26057 -0.751158 GPRESSAVG: 89200 18.3671 43.3543 46.3445 45.2477 33.6198 4.0972 47.1226 3.50579 -0.727133 TIMING: 89200 CPU: 279.862, 0.00314116/step Wall: 279.862, 0.00314116/step, 4.28489 hours remaining, 225.660156 MB of memory in use. ENERGY: 89200 4056.1138 20382.3043 14465.1572 258.2933 -203314.4705 2205.3084 0.0000 0.0000 51867.9803 -110079.3133 298.0860 -161947.2935 -109716.7001 298.2290 -287.2896 -260.6356 759102.5259 17.0310 17.0866 PRESSURE: 89400 -303.124 247.322 -114.932 247.321 -9.98001 146.676 -114.933 146.676 -79.3972 GPRESSURE: 89400 -279.331 229.347 -145.536 271.282 -29.1634 261.226 22.1474 40.0983 -7.49396 PRESSAVG: 89400 1.99546 5.86474 12.8688 5.8647 23.9027 -35.8751 12.8688 -35.875 2.3628 GPRESSAVG: 89400 1.90306 7.2155 11.6344 6.1269 24.1625 -34.9623 12.3913 -35.6783 2.39624 TIMING: 89400 CPU: 280.487, 0.00312919/step Wall: 280.487, 0.00312919/step, 4.26839 hours remaining, 225.660156 MB of memory in use. ENERGY: 89400 4068.2025 20521.6071 14521.3693 234.7231 -203634.4221 2564.6556 0.0000 0.0000 51688.5672 -110035.2974 297.0549 -161723.8646 -109684.8687 297.8733 -130.8339 -105.3294 759919.1368 9.4203 9.4873 PRESSURE: 89600 -132.14 34.5504 12.4261 34.5515 81.7518 -361.878 12.4249 -361.877 -72.928 GPRESSURE: 89600 -105.493 25.6368 48.2218 -118.367 102.119 -281.652 27.556 -182.686 -24.3682 PRESSAVG: 89600 3.28466 -14.7301 24.5788 -14.73 -23.2106 -70.2692 24.5788 -70.2692 -16.0692 GPRESSAVG: 89600 3.3878 -16.2482 25.7214 -16.4226 -23.6293 -72.0909 23.8074 -67.9871 -14.8992 TIMING: 89600 CPU: 281.113, 0.00312817/step Wall: 281.113, 0.00312817/step, 4.26682 hours remaining, 225.660156 MB of memory in use. ENERGY: 89600 4005.9879 20465.6058 14467.9482 243.1516 -203593.7183 2650.4720 0.0000 0.0000 51730.8181 -110029.7347 297.2977 -161760.5528 -109672.1288 297.8161 -41.1054 -9.2476 759882.9746 -11.9984 -11.7136 PRESSURE: 89800 12.3043 -19.8577 160.298 -19.8586 -266.247 198.579 160.297 198.578 81.1185 GPRESSURE: 89800 124.921 -68.9233 192.276 15.3776 -202.99 202.11 78.7773 123.48 -15.5594 PRESSAVG: 89800 35.4131 -0.883487 46.1719 -0.883525 -8.42336 -28.5762 46.1718 -28.5762 -13.9436 GPRESSAVG: 89800 36.6265 0.0439778 45.7174 -0.40718 -8.8837 -25.8331 45.1697 -32.5529 -15.0549 TIMING: 89800 CPU: 281.739, 0.00312767/step Wall: 281.739, 0.00312767/step, 4.26597 hours remaining, 225.660156 MB of memory in use. ENERGY: 89800 3937.2391 20516.2876 14352.5586 257.3490 -203423.7607 2353.3761 0.0000 0.0000 51903.3706 -110103.5798 298.2894 -162006.9503 -109739.9409 297.4531 -57.6082 -31.2095 760523.1347 4.3487 4.2293 PRESSURE: 90000 -134.313 -141.959 71.0511 -141.959 -93.2292 -266.537 71.0501 -266.537 324.166 GPRESSURE: 90000 -118.082 -221.747 135.737 -48.1463 -117.498 -280.617 10.6379 -125.216 400.799 PRESSAVG: 90000 -37.2433 -65.6997 8.82827 -65.6997 -2.47737 13.1303 8.82824 13.1302 2.86435 GPRESSAVG: 90000 -38.2836 -65.341 8.51912 -66.6984 -2.65257 11.5135 7.85307 14.9411 4.24234 TIMING: 90000 CPU: 282.367, 0.00314267/step Wall: 282.367, 0.00314267/step, 4.28625 hours remaining, 225.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 90000 3976.6687 20614.8357 14470.4694 215.8912 -203568.9838 2636.6388 0.0000 0.0000 51692.5140 -109961.9661 297.0776 -161654.4800 -109593.3726 298.0037 32.2079 55.0730 762243.1879 -12.2855 -12.2313 PRESSURE: 90200 -163.799 181.458 -204.451 181.459 -55.7425 -122.333 -204.45 -122.333 -158.519 GPRESSURE: 90200 -104.715 140.572 -192.022 146.45 -32.6224 -131.336 -138.855 -30.9178 -165.242 PRESSAVG: 90200 -22.167 9.6138 37.7151 9.61384 -6.84242 -6.88196 37.7151 -6.88195 -5.40484 GPRESSAVG: 90200 -21.8337 9.13816 38.0429 10.0134 -7.30554 -8.06423 39.3292 -6.36777 -5.52793 TIMING: 90200 CPU: 283, 0.00316238/step Wall: 283, 0.00316238/step, 4.31296 hours remaining, 225.660156 MB of memory in use. ENERGY: 90200 4079.6384 20636.3532 14346.7826 227.6378 -203744.0482 2745.3116 0.0000 0.0000 52020.8307 -109687.4937 298.9644 -161708.3245 -109330.0421 298.5372 -126.0203 -100.8599 762176.5636 -11.4714 -11.5557 PRESSURE: 90400 94.0553 98.6389 96.4812 98.6391 -333.799 -155.037 96.4812 -155.036 -438.647 GPRESSURE: 90400 73.0671 142.387 153.758 19.6375 -242.852 -182.648 24.6572 -209.541 -426.082 PRESSAVG: 90400 4.74932 -8.14058 -33.8962 -8.14062 23.4797 -8.65313 -33.8962 -8.653 -10.6038 GPRESSAVG: 90400 3.62118 -7.50345 -31.6206 -8.85153 25.6127 -9.47392 -37.3953 -7.82573 -11.6224 TIMING: 90400 CPU: 283.626, 0.00313116/step Wall: 283.626, 0.00313116/step, 4.27021 hours remaining, 225.660156 MB of memory in use. ENERGY: 90400 3988.8767 20684.8278 14353.2823 266.3110 -203785.2126 2617.7614 0.0000 0.0000 52079.3843 -109794.7690 299.3009 -161874.1533 -109437.7498 299.3762 -226.1302 -198.6223 759853.4801 5.8750 5.8705 PRESSURE: 90600 -1.71159 -20.9375 88.1244 -20.9374 -24.2009 180.595 88.1238 180.595 -234.872 GPRESSURE: 90600 42.6036 -103.937 53.6045 -77.5941 10.9028 122.542 153.294 198.346 -232.454 PRESSAVG: 90600 30.1803 -34.6302 26.3471 -34.6302 27.3176 33.9646 26.3471 33.9647 9.99972 GPRESSAVG: 90600 31.2368 -34.9659 24.046 -32.7871 25.6939 34.8833 28.8401 34.9588 10.9595 TIMING: 90600 CPU: 284.251, 0.00312514/step Wall: 284.251, 0.00312514/step, 4.26182 hours remaining, 225.660156 MB of memory in use. ENERGY: 90600 3905.4768 20600.4732 14372.1518 267.1383 -203464.8503 2411.2349 0.0000 0.0000 52138.0092 -109770.3661 299.6379 -161908.3753 -109410.6454 299.1223 -86.9280 -59.6492 759483.4726 22.4992 22.6301 PRESSURE: 90800 206.332 91.2757 -195.846 91.2767 -173.923 67.5262 -195.848 67.5274 -8.16891 GPRESSURE: 90800 248.58 -42.862 -161.896 67.6313 -84.3115 90.541 -273.538 49.4941 -34.8256 PRESSAVG: 90800 -19.4311 29.5145 -67.5887 29.5145 4.73199 11.8847 -67.5887 11.8847 7.32104 GPRESSAVG: 90800 -18.0665 30.0521 -65.8867 29.6995 5.22723 12.2892 -66.4208 10.2762 5.47551 TIMING: 90800 CPU: 284.876, 0.00312646/step Wall: 284.876, 0.00312646/step, 4.26345 hours remaining, 225.660156 MB of memory in use. ENERGY: 90800 3982.6287 20525.1804 14419.6595 238.0532 -203862.4580 2871.3078 0.0000 0.0000 51967.2226 -109858.4058 298.6563 -161825.6284 -109492.0756 298.9573 8.0799 43.1476 759574.5993 -2.4594 -2.4546 PRESSURE: 91000 38.551 -32.0875 17.226 -32.0877 -34.8219 -68.9442 17.2253 -68.9441 -101.984 GPRESSURE: 91000 52.2694 7.45399 37.1266 86.7306 -22.8077 -35.8265 37.439 39.6596 -51.652 PRESSAVG: 91000 -17.9128 -2.13292 1.75167 -2.13292 36.6259 57.8713 1.75171 57.8714 -5.03357 GPRESSAVG: 91000 -19.1338 -3.26115 0.10986 -2.19873 36.3398 59.3418 -0.561616 56.9236 -3.96797 TIMING: 91000 CPU: 285.5, 0.00311853/step Wall: 285.5, 0.00311853/step, 4.25247 hours remaining, 225.660156 MB of memory in use. ENERGY: 91000 3996.6682 20429.4194 14396.8147 262.5632 -203598.2216 2679.2111 0.0000 0.0000 51949.2498 -109884.2951 298.5531 -161833.5449 -109517.1346 298.3918 -32.7517 -7.3968 760131.9630 4.5598 4.4127 PRESSURE: 91200 -24.7304 -68.3039 -97.2368 -68.3045 88.4848 39.6054 -97.2366 39.6051 132.314 GPRESSURE: 91200 75.253 -70.2391 -105.2 -17.8824 118.8 51.3465 15.6497 13.1519 77.1755 PRESSAVG: 91200 -50.7105 -6.0104 -5.29831 -6.01045 77.7957 -8.17484 -5.29828 -8.17486 -1.07803 GPRESSAVG: 91200 -51.1689 -4.02326 -5.7925 -5.14114 78.4997 -8.96819 -2.03232 -6.31044 -1.39968 TIMING: 91200 CPU: 286.126, 0.00313172/step Wall: 286.126, 0.00313172/step, 4.27027 hours remaining, 225.660156 MB of memory in use. ENERGY: 91200 4091.5264 20572.1124 14386.8406 246.1637 -203867.9109 2842.8136 0.0000 0.0000 51671.9857 -110056.4684 296.9596 -161728.4542 -109699.7471 298.4143 65.3561 90.4096 758985.4695 8.6691 8.6437 PRESSURE: 91400 256.676 64.3391 392.486 64.3391 -194.725 -0.0179982 392.486 -0.0191412 78.2303 GPRESSURE: 91400 201.476 47.6286 313.975 -104.804 -94.7013 152.018 376.515 55.0447 114.894 PRESSAVG: 91400 -2.56394 -25.6485 -25.2592 -25.6485 -21.921 73.8796 -25.2593 73.8797 8.52064 GPRESSAVG: 91400 -3.46577 -25.2371 -25.2351 -28.0291 -21.8972 73.4286 -27.4488 73.5206 9.24792 TIMING: 91400 CPU: 286.754, 0.00313677/step Wall: 286.754, 0.00313677/step, 4.27698 hours remaining, 225.660156 MB of memory in use. ENERGY: 91400 4051.1449 20616.8214 14408.1225 250.4320 -203688.0231 2534.4233 0.0000 0.0000 51950.3249 -109876.7541 298.5592 -161827.0789 -109521.6953 298.0583 46.7272 73.8895 759304.8505 -5.3214 -5.3717 PRESSURE: 91600 -54.4444 -69.3163 -268.136 -69.3163 -93.7741 -160.617 -268.136 -160.616 -191.836 GPRESSURE: 91600 -45.9753 26.9108 -305.115 -23.4255 -20.7421 -66.0915 -264.744 -120.046 -158.059 PRESSAVG: 91600 -9.43433 -6.807 -10.0865 -6.80697 12.3304 4.92801 -10.0866 4.92795 1.95228 GPRESSAVG: 91600 -9.36051 -4.6923 -8.99858 -4.91854 13.1913 5.94545 -10.2415 6.1763 1.35992 TIMING: 91600 CPU: 287.384, 0.00315103/step Wall: 287.384, 0.00315103/step, 4.29625 hours remaining, 225.726562 MB of memory in use. ENERGY: 91600 3941.8884 20598.2248 14426.8020 244.1164 -203568.5402 2517.2444 0.0000 0.0000 51976.9876 -109863.2766 298.7125 -161840.2642 -109489.0836 298.9094 -113.3516 -74.9256 759519.7779 1.6161 1.7302 PRESSURE: 91800 -379.567 99.6941 266.22 99.6941 135.295 -93.2762 266.22 -93.2759 -191.538 GPRESSURE: 91800 -324.434 138.905 262.522 93.2558 136.16 -200.655 307.739 53.4926 -150.252 PRESSAVG: 91800 12.5342 26.9356 -8.9044 26.9356 -27.3282 58.2489 -8.90447 58.2489 -4.50781 GPRESSAVG: 91800 13.7239 24.0255 -10.6006 26.2205 -28.4472 57.5321 -7.90972 57.8574 -4.1337 TIMING: 91800 CPU: 288.012, 0.00314263/step Wall: 288.012, 0.00314263/step, 4.28463 hours remaining, 225.660156 MB of memory in use. ENERGY: 91800 4009.4260 20588.9047 14366.3455 267.1735 -203643.9459 2599.3005 0.0000 0.0000 51833.1265 -109979.6692 297.8857 -161812.7957 -109623.1002 298.4239 -145.2701 -112.8421 760013.1346 -6.4339 -6.2857 PRESSURE: 92000 -103.081 -98.144 -26.4743 -98.1448 211.264 60.1488 -26.4738 60.1489 317.376 GPRESSURE: 92000 -143.814 18.1151 44.0171 -93.8226 314.001 93.9386 -26.6096 -55.3963 346.124 PRESSAVG: 92000 14.7269 -47.3058 53.084 -47.3058 -40.3378 15.3954 53.084 15.3953 19.1894 GPRESSAVG: 92000 14.2363 -45.0089 53.8829 -47.621 -39.4839 17.1606 54.0926 14.6814 18.5849 TIMING: 92000 CPU: 288.641, 0.0031434/step Wall: 288.641, 0.0031434/step, 4.2855 hours remaining, 225.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 92000 4042.0313 20692.2635 14414.1998 267.6002 -204050.9023 2918.5701 0.0000 0.0000 51805.2621 -109910.9753 297.7256 -161716.2374 -109556.1788 298.5311 141.8528 172.1035 761070.3144 -2.1405 -2.2209 PRESSURE: 92200 -231.415 -160.945 -138.69 -160.944 10.4789 -121.573 -138.69 -121.574 314.305 GPRESSURE: 92200 -165.978 -135.011 -81.9013 -168.746 81.6737 -114.124 21.7212 -91.8937 258.329 PRESSAVG: 92200 0.580491 -28.3461 63.1047 -28.3462 66.2501 3.88926 63.1047 3.88927 -27.8691 GPRESSAVG: 92200 0.340596 -31.2199 62.4417 -25.9233 65.6918 2.63428 62.445 4.57373 -27.579 TIMING: 92200 CPU: 289.272, 0.00315334/step Wall: 289.272, 0.00315334/step, 4.29887 hours remaining, 225.660156 MB of memory in use. ENERGY: 92200 4096.8772 20441.6409 14471.2086 240.1764 -203939.5803 2774.0364 0.0000 0.0000 51983.3847 -109932.2560 298.7492 -161915.6408 -109570.2819 298.7198 31.1230 58.0083 760730.7097 12.9872 12.8178 LDB: ============= START OF LOAD BALANCING ============== 301.671 LDB: ============== END OF LOAD BALANCING =============== 301.671 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 301.672 LDB: ============= START OF LOAD BALANCING ============== 301.989 LDB: Largest compute 7075 load 0.033620 is 17.2% of average load 0.195461 LDB: Average compute 0.004347 is 2.2% of average load 0.195461 LDB: TIME 301.993 LOAD: AVG 0.195461 MAX 0.21641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 227.199 MB LDB: TIME 301.994 LOAD: AVG 0.195461 MAX 0.21641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.266 MB LDB: TIME 301.994 LOAD: AVG 0.195461 MAX 0.21641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.266 MB LDB: ============== END OF LOAD BALANCING =============== 301.996 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.001 PRESSURE: 92400 -61.474 -44.9045 192.195 -44.9047 15.0587 136.733 192.194 136.733 -4.62383 GPRESSURE: 92400 -27.4977 60.4245 101.153 -54.3083 57.4673 66.9648 178.657 24.549 -2.60907 PRESSAVG: 92400 15.5872 -17.2989 -4.37589 -17.2989 36.4462 -2.76344 -4.37596 -2.76348 22.7657 GPRESSAVG: 92400 14.6382 -17.1392 -5.94004 -18.396 35.9299 -2.48238 -1.3239 -4.74395 24.4298 TIMING: 92400 CPU: 289.918, 0.00323398/step Wall: 289.918, 0.00323398/step, 4.40863 hours remaining, 224.945312 MB of memory in use. ENERGY: 92400 4101.5788 20384.8629 14444.8832 239.1710 -203519.6378 2766.2906 0.0000 0.0000 51946.3903 -109636.4608 298.5366 -161582.8511 -109282.8728 299.0257 -17.0130 9.1202 761026.3144 24.9330 24.9993 PRESSURE: 92600 53.6229 -68.5259 153.227 -68.5251 69.4148 -190.486 153.227 -190.486 -219.617 GPRESSURE: 92600 183.707 -188.516 132.734 -56.8446 -16.2796 -191.094 193.34 -150.846 -186.099 PRESSAVG: 92600 6.53781 -10.4204 -21.5552 -10.4204 66.0194 76.9126 -21.5551 76.9125 -8.87323 GPRESSAVG: 92600 7.99064 -9.13183 -18.9319 -10.3217 66.3846 75.9618 -24.0384 75.6974 -11.1991 TIMING: 92600 CPU: 290.551, 0.00316313/step Wall: 290.551, 0.00316313/step, 4.31188 hours remaining, 225.000000 MB of memory in use. ENERGY: 92600 3988.5610 20516.4442 14412.1520 248.0315 -203018.6790 2308.8408 0.0000 0.0000 51992.7825 -109551.8671 298.8032 -161544.6496 -109190.9818 299.2428 -32.1930 -6.2239 761666.0309 21.2280 21.0587 PRESSURE: 92800 26.987 63.4303 11.1498 63.43 -119.396 -19.099 11.1504 -19.0991 127.718 GPRESSURE: 92800 -20.86 16.7561 -36.8477 92.1701 8.90992 87.238 -52.2074 -45.3667 137.015 PRESSAVG: 92800 21.0619 -1.13479 0.280911 -1.1348 -27.9532 26.0998 0.280869 26.0999 8.24369 GPRESSAVG: 92800 21.02 -0.894443 -0.924827 -3.31869 -29.0772 27.8229 -2.35154 28.5195 8.93629 TIMING: 92800 CPU: 291.182, 0.00315553/step Wall: 291.182, 0.00315553/step, 4.30134 hours remaining, 225.000000 MB of memory in use. ENERGY: 92800 3953.9054 20446.0195 14389.9817 235.0945 -203245.7938 2652.9127 0.0000 0.0000 52123.3965 -109444.4834 299.5539 -161567.8800 -109067.8457 299.1410 11.7697 41.6883 763050.3552 0.4508 0.2930 PRESSURE: 93000 307.666 101.289 -53.2741 101.289 183.389 127.539 -53.2748 127.538 -198.164 GPRESSURE: 93000 351.923 171.038 -92.6268 58.4306 148.113 217.049 34.0147 102.086 -135.784 PRESSAVG: 93000 40.542 13.0267 5.198 13.0266 21.9341 -13.5392 5.19796 -13.5392 30.3045 GPRESSAVG: 93000 40.4439 13.0922 5.05865 12.2433 22.2921 -14.5173 7.53775 -14.1695 30.0981 TIMING: 93000 CPU: 291.811, 0.00314193/step Wall: 291.811, 0.00314193/step, 4.28263 hours remaining, 225.070312 MB of memory in use. ENERGY: 93000 3938.5972 20559.7676 14430.6282 246.4832 -203472.5322 2665.8570 0.0000 0.0000 52243.2631 -109387.9359 300.2428 -161631.1990 -109028.7133 299.2647 97.6302 121.4173 762033.3783 30.9269 30.9447 PRESSURE: 93200 -128.244 -278.045 -170.735 -278.045 164.374 261.63 -170.735 261.63 1.95415 GPRESSURE: 93200 -60.2423 -246.419 -143.595 -240.524 140.647 186.201 -102.655 217.668 20.8491 PRESSAVG: 93200 16.3865 9.92759 46.5071 9.92763 0.887951 48.9494 46.5071 48.9495 -0.249873 GPRESSAVG: 93200 16.7125 10.3593 47.635 12.2683 -0.495755 49.2412 45.3068 48.7434 0.407396 TIMING: 93200 CPU: 292.437, 0.0031305/step Wall: 292.437, 0.0031305/step, 4.26687 hours remaining, 225.070312 MB of memory in use. ENERGY: 93200 3995.8749 20499.6996 14483.9867 261.4807 -203767.1071 3055.0220 0.0000 0.0000 52160.7939 -109310.2494 299.7688 -161471.0433 -108954.9965 299.5711 12.6948 33.7511 761517.1756 5.6749 5.5414 PRESSURE: 93400 379.276 115.683 231.132 115.685 147.84 -101.018 231.133 -101.018 5.93892 GPRESSURE: 93400 371.582 46.5814 114.718 15.8234 232.479 -52.3287 161.348 -125.461 13.0973 PRESSAVG: 93400 6.11338 -20.6039 52.0263 -20.6038 -28.594 26.9416 52.0262 26.9415 -15.0926 GPRESSAVG: 93400 5.33998 -20.1166 52.2071 -22.3548 -28.1376 26.8121 51.9203 28.6177 -15.4862 TIMING: 93400 CPU: 293.064, 0.00313599/step Wall: 293.064, 0.00313599/step, 4.27418 hours remaining, 225.070312 MB of memory in use. ENERGY: 93400 4021.5380 20385.1022 14492.8758 264.5117 -203393.9782 3008.0350 0.0000 0.0000 51907.5708 -109314.3447 298.3135 -161221.9155 -108948.0516 299.3853 177.6852 205.7194 761807.5636 -12.5244 -12.7613 PRESSURE: 93600 93.474 60.5186 59.4336 60.5184 390.583 -75.2401 59.4348 -75.2403 82.2557 GPRESSURE: 93600 200.258 45.4563 62.3037 -97.9046 405.549 -146.236 11.9117 -82.1238 51.4914 PRESSAVG: 93600 6.8319 -2.16462 2.99231 -2.16466 1.4044 -0.171053 2.99228 -0.171094 -4.70574 GPRESSAVG: 93600 7.03355 -4.32582 0.140467 -0.292846 1.48515 -1.13037 4.07311 -1.57714 -4.66028 TIMING: 93600 CPU: 293.691, 0.00313528/step Wall: 293.691, 0.00313528/step, 4.27304 hours remaining, 225.070312 MB of memory in use. ENERGY: 93600 4019.1160 20583.9093 14505.0472 243.1593 -203299.7155 2515.9290 0.0000 0.0000 52094.7577 -109337.7971 299.3893 -161432.5548 -108988.9236 299.7927 188.7710 219.0992 762011.9736 1.1769 1.2861 PRESSURE: 93800 -373.979 -171.091 289.633 -171.091 331.349 -276.601 289.633 -276.601 -388.63 GPRESSURE: 93800 -227.679 -86.641 227.168 -99.0068 237.289 -258.762 311.486 -23.6673 -357.323 PRESSAVG: 93800 -2.86242 59.5358 66.7979 59.5358 32.4689 -13.0819 66.7979 -13.0819 -14.5298 GPRESSAVG: 93800 -3.47484 61.6548 69.2594 59.3177 31.7069 -12.656 65.5998 -11.4828 -13.7692 TIMING: 93800 CPU: 294.322, 0.00315612/step Wall: 294.322, 0.00315612/step, 4.30127 hours remaining, 225.070312 MB of memory in use. ENERGY: 93800 4016.7707 20637.6007 14431.1884 253.3246 -202891.6817 2064.1492 0.0000 0.0000 52105.8883 -109382.7599 299.4533 -161488.6482 -109023.0115 299.3143 -143.7532 -115.9043 762608.5229 5.0256 4.8210 PRESSURE: 94000 263.582 80.4741 169.695 80.4737 120.593 -135.498 169.695 -135.497 266.66 GPRESSURE: 94000 334.986 87.5306 216.196 -0.427409 124.467 -152.523 121.915 -79.9677 281.883 PRESSAVG: 94000 -30.7256 10.4384 63.4673 10.4384 63.0126 3.45788 63.4673 3.45789 23.42 GPRESSAVG: 94000 -29.5863 10.1599 63.2924 8.15096 62.5811 4.09716 64.0887 1.80367 23.1095 TIMING: 94000 CPU: 294.953, 0.00315594/step Wall: 294.953, 0.00315594/step, 4.30085 hours remaining, 225.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 94000 4002.5196 20653.6071 14418.6295 249.8006 -203494.1312 2796.1897 0.0000 0.0000 52179.3619 -109194.0227 299.8755 -161373.3846 -108843.7855 299.7585 216.9451 247.1121 761699.7832 18.5690 18.7014 PRESSURE: 94200 97.9719 -88.4969 -316.235 -88.496 -15.207 -201.752 -316.235 -201.752 -86.1494 GPRESSURE: 94200 110.326 -109.526 -240.696 33.1834 19.4159 -234.575 -376.416 15.429 -62.9659 PRESSAVG: 94200 -69.5164 -3.26655 -3.51329 -3.26653 29.8604 7.53108 -3.51329 7.53107 7.06464 GPRESSAVG: 94200 -69.6365 -6.69527 -2.18522 0.4788 31.5685 6.85756 -3.80202 7.14868 5.37914 TIMING: 94200 CPU: 295.587, 0.00316638/step Wall: 295.587, 0.00316638/step, 4.3149 hours remaining, 225.070312 MB of memory in use. ENERGY: 94200 3969.4261 20732.8075 14420.5565 234.5130 -203447.2372 2577.4173 0.0000 0.0000 52146.8461 -109365.6707 299.6886 -161512.5168 -109005.9239 299.5865 -1.1282 22.2586 762290.0570 -10.8638 -10.8963 PRESSURE: 94400 67.9063 -48.4282 220.57 -48.4279 57.7851 -33.1228 220.571 -33.1226 -251.571 GPRESSURE: 94400 90.2264 20.9092 179.062 -90.3799 -4.22169 -1.93017 268.893 16.659 -135.341 PRESSAVG: 94400 -14.1022 -14.6006 -11.812 -14.6006 27.1054 75.8831 -11.812 75.8831 11.9814 GPRESSAVG: 94400 -13.0915 -12.1409 -12.7597 -15.6675 25.8562 75.6395 -12.0279 77.5542 12.035 TIMING: 94400 CPU: 296.219, 0.00316016/step Wall: 296.219, 0.00316016/step, 4.30625 hours remaining, 225.070312 MB of memory in use. ENERGY: 94400 3969.0688 20550.8542 14438.2984 243.3956 -203454.6067 2544.0849 0.0000 0.0000 52235.8087 -109473.0961 300.1999 -161708.9047 -109112.7471 299.1119 -41.9599 -16.4456 762672.1332 8.3282 8.2665 PRESSURE: 94600 186.249 27.9326 171.896 27.9326 69.9403 -165.911 171.895 -165.912 -160.127 GPRESSURE: 94600 22.4244 28.1862 103.377 -2.71023 194.033 -150.151 132.239 -181.296 -27.567 PRESSAVG: 94600 19.3327 -25.2898 21.5395 -25.2898 -10.3378 19.0114 21.5395 19.0114 -8.65174 GPRESSAVG: 94600 17.5424 -23.7181 21.7057 -26.5329 -9.87698 19.1431 21.2374 20.6141 -6.9484 TIMING: 94600 CPU: 296.853, 0.00317111/step Wall: 296.853, 0.00317111/step, 4.32099 hours remaining, 225.070312 MB of memory in use. ENERGY: 94600 4002.9048 20640.9795 14495.1777 269.3615 -203513.1123 2741.5727 0.0000 0.0000 52126.0726 -109237.0435 299.5693 -161363.1162 -108878.0848 299.4460 32.0210 62.9636 761857.7046 0.1144 0.2390 PRESSURE: 94800 25.0128 -27.7803 60.0396 -27.7788 -120.497 93.0777 60.0392 93.0771 34.0075 GPRESSURE: 94800 9.97127 -15.0323 38.3811 -32.434 -19.222 40.0737 -34.5131 97.3493 43.97 PRESSAVG: 94800 -65.1215 -0.120216 20.0756 -0.120164 24.4337 42.142 20.0756 42.1421 -16.917 GPRESSAVG: 94800 -64.6763 -2.28256 20.891 0.625625 25.9634 41.6347 18.8106 38.9945 -18.6489 TIMING: 94800 CPU: 297.483, 0.00315102/step Wall: 297.483, 0.00315103/step, 4.29345 hours remaining, 225.070312 MB of memory in use. ENERGY: 94800 4075.9805 20625.2593 14478.8583 248.4701 -203256.8945 2583.4407 0.0000 0.0000 51878.1289 -109366.7566 298.1443 -161244.8855 -109008.7141 299.4391 -20.4921 11.5731 762418.4560 -19.2016 -19.1206 PRESSURE: 95000 -79.304 -99.2634 139.848 -99.2635 99.507 -52.5765 139.847 -52.5772 -66.7151 GPRESSURE: 95000 18.9335 -90.8535 221.494 -209.314 20.0534 -85.6965 127.099 72.3723 -3.23869 PRESSAVG: 95000 -52.9878 9.0796 -46.6611 9.07963 80.1179 13.145 -46.6612 13.145 -5.04754 GPRESSAVG: 95000 -52.594 11.4366 -48.7867 9.38761 78.9633 12.8209 -45.6543 14.5219 -4.36705 TIMING: 95000 CPU: 298.113, 0.00315159/step Wall: 298.113, 0.00315159/step, 4.29404 hours remaining, 225.070312 MB of memory in use. ENERGY: 95000 4060.6753 20550.3721 14530.7612 238.5761 -203338.8516 2788.9701 0.0000 0.0000 51760.8602 -109408.6365 297.4704 -161169.4967 -109048.2824 299.2425 -15.5041 11.9161 762117.4209 7.3608 7.3341 PRESSURE: 95200 -543.548 -177.606 -220.55 -177.606 -311.864 -11.4984 -220.549 -11.4974 -279.343 GPRESSURE: 95200 -471.766 -76.1795 -139.162 -156.405 -392.903 -94.9362 -214.463 48.2477 -202.07 PRESSAVG: 95200 -12.2498 -26.2689 34.9859 -26.2688 37.589 61.5147 34.9859 61.5147 5.27319 GPRESSAVG: 95200 -11.3723 -28.8077 36.2621 -26.5176 36.9785 62.7564 33.8894 61.9125 5.48819 TIMING: 95200 CPU: 298.74, 0.00313096/step Wall: 298.74, 0.00313096/step, 4.26576 hours remaining, 225.070312 MB of memory in use. ENERGY: 95200 3979.7676 20372.4457 14486.1616 247.1020 -203171.0509 2315.9720 0.0000 0.0000 52140.5628 -109629.0391 299.6525 -161769.6019 -109257.9576 298.9426 -378.2517 -355.5797 761964.5238 10.2041 10.3648 PRESSURE: 95400 -68.0306 -190.961 129.097 -190.961 96.5263 41.2355 129.097 41.2351 -1.62088 GPRESSURE: 95400 -190.669 -113.616 153.695 -233.731 272.107 101.155 122.302 9.93293 52.764 PRESSAVG: 95400 -16.6074 -18.4765 23.9955 -18.4764 19.8095 27.9932 23.9954 27.9933 29.8138 GPRESSAVG: 95400 -18.3967 -18.1082 23.5872 -19.3033 21.2278 29.4869 25.1156 28.0418 30.4271 TIMING: 95400 CPU: 299.371, 0.0031597/step Wall: 299.371, 0.0031597/step, 4.30474 hours remaining, 225.070312 MB of memory in use. ENERGY: 95400 4011.5696 20304.7832 14512.7864 256.0019 -203304.6336 2659.0565 0.0000 0.0000 51764.4798 -109795.9561 297.4912 -161560.4359 -109431.3779 298.4303 8.9583 44.7341 760374.9304 11.0053 11.0861 PRESSURE: 95600 190.867 77.4481 180.387 77.4472 -295.303 428.864 180.387 428.864 241.78 GPRESSURE: 95600 93.8672 70.134 66.8793 141.598 -121.116 438.857 136.29 381.469 260.272 PRESSAVG: 95600 5.61169 17.5664 30.6908 17.5664 -4.38625 18.1092 30.6908 18.1092 18.2512 GPRESSAVG: 95600 6.1537 18.7523 29.1715 18.3766 -4.06285 15.5882 31.4378 18.8984 17.3425 TIMING: 95600 CPU: 300.004, 0.00316098/step Wall: 300.004, 0.00316098/step, 4.30631 hours remaining, 225.070312 MB of memory in use. ENERGY: 95600 3925.9119 20535.3891 14496.9106 242.3854 -203489.9375 2616.0728 0.0000 0.0000 51943.4899 -109729.7778 298.5200 -161673.2677 -109368.4872 298.3287 45.7813 77.6744 760574.5361 6.4922 6.4778 PRESSURE: 95800 277.465 123.49 207.961 123.49 -185.194 155.944 207.961 155.944 537.749 GPRESSURE: 95800 255.773 105.935 179.67 107.03 -103.23 96.3352 167.916 129.156 544.575 PRESSAVG: 95800 -83.3421 54.6667 4.98559 54.6667 52.3324 62.3326 4.98558 62.3326 -9.24976 GPRESSAVG: 95800 -83.9566 53.8228 6.83217 54.8209 51.7885 63.1672 2.05613 60.3105 -8.80744 TIMING: 95800 CPU: 300.634, 0.00315049/step Wall: 300.634, 0.00315049/step, 4.29185 hours remaining, 225.070312 MB of memory in use. ENERGY: 95800 3944.1101 20455.1295 14486.1953 243.7470 -204004.5445 2831.1291 0.0000 0.0000 52099.6388 -109944.5948 299.4173 -162044.2336 -109574.3806 298.6450 210.0067 232.3727 760058.1679 -13.4198 -13.6585 PRESSURE: 96000 -215.735 -87.88 12.7491 -87.8803 -186.634 79.9651 12.7494 79.9658 -177.17 GPRESSURE: 96000 -161.036 -78.9216 84.9937 -101.526 -187.885 93.5258 -121.454 57.5032 -155.986 PRESSAVG: 96000 28.0982 -11.9239 26.3259 -11.924 27.5257 5.45646 26.3259 5.45647 16.5318 GPRESSAVG: 96000 27.8682 -10.8794 24.6107 -13.3333 27.7043 6.77601 27.9272 5.94369 16.9212 TIMING: 96000 CPU: 301.26, 0.00313342/step Wall: 301.26, 0.00313342/step, 4.26842 hours remaining, 225.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 96000 3990.1328 20514.2297 14461.1286 245.3193 -203718.9834 2531.2630 0.0000 0.0000 51959.7786 -110017.1315 298.6136 -161976.9100 -109651.0412 298.6114 -193.1796 -168.3022 760955.1297 24.0519 24.1646 PRESSURE: 96200 46.4603 101.872 157.248 101.873 29.664 -45.2503 157.247 -45.2509 285.727 GPRESSURE: 96200 49.6647 209.062 227.837 8.61078 90.8025 -19.6284 76.0116 7.04094 314.872 PRESSAVG: 96200 8.93304 4.75734 30.4756 4.75732 7.4372 26.3614 30.4755 26.3614 -3.24801 GPRESSAVG: 96200 8.72253 4.77819 32.388 4.36066 7.2033 25.4999 30.9224 25.9121 -2.87645 TIMING: 96200 CPU: 301.888, 0.00313998/step Wall: 301.888, 0.00313998/step, 4.27718 hours remaining, 225.070312 MB of memory in use. ENERGY: 96200 3971.3747 20416.7184 14500.7555 253.2559 -203744.7501 2825.7222 0.0000 0.0000 51776.3639 -110000.5596 297.5595 -161776.9235 -109644.2984 298.1759 120.6170 151.7797 759390.2792 4.3741 4.3498 LDB: ============= START OF LOAD BALANCING ============== 314.289 LDB: ============== END OF LOAD BALANCING =============== 314.289 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 314.291 LDB: ============= START OF LOAD BALANCING ============== 314.608 LDB: Largest compute 7075 load 0.034916 is 17.9% of average load 0.195393 LDB: Average compute 0.004393 is 2.2% of average load 0.195393 LDB: TIME 314.611 LOAD: AVG 0.195393 MAX 0.213725 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 226.227 MB LDB: TIME 314.611 LOAD: AVG 0.195393 MAX 0.213725 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.246 MB LDB: TIME 314.611 LOAD: AVG 0.195393 MAX 0.213725 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 314.613 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 314.618 PRESSURE: 96400 -628.952 -102.389 1.76977 -102.389 -43.1555 16.8106 1.76877 16.8098 244.682 GPRESSURE: 96400 -552.886 -3.62697 24.7987 -11.6777 -154 61.675 -15.6137 -5.797 374.35 PRESSAVG: 96400 -71.3496 37.3667 81.3481 37.3668 53.0248 23.0466 81.3482 23.0466 -0.420331 GPRESSAVG: 96400 -71.0073 37.7684 79.805 39.3771 51.5578 22.8034 79.2646 22.3846 0.820153 TIMING: 96400 CPU: 302.535, 0.00323358/step Wall: 302.535, 0.00323358/step, 4.40449 hours remaining, 226.226562 MB of memory in use. ENERGY: 96400 4034.1567 20349.5377 14532.8535 246.0857 -204022.0432 2770.3979 0.0000 0.0000 51930.8230 -110158.1885 298.4472 -162089.0115 -109792.9516 297.9520 -142.4753 -110.8452 760796.0350 -6.2484 -6.2098 PRESSURE: 96600 -91.6052 174.565 -2.77588 174.564 246.805 -176.811 -2.77627 -176.811 -74.1325 GPRESSURE: 96600 -76.0696 49.1041 92.766 285.876 209.489 -221.721 -118.92 -61.6258 39.4681 PRESSAVG: 96600 -31.3127 62.221 9.85859 62.221 42.5031 20.2171 9.85858 20.2172 -6.57021 GPRESSAVG: 96600 -31.49 62.318 10.4577 61.6393 44.3011 20.3019 10.8468 21.9667 -8.20064 TIMING: 96600 CPU: 303.169, 0.00316896/step Wall: 303.169, 0.00316896/step, 4.31629 hours remaining, 226.550781 MB of memory in use. ENERGY: 96600 3921.1001 20503.1275 14541.1500 231.4938 -203737.3526 2475.8081 0.0000 0.0000 52134.3198 -109930.3533 299.6167 -162064.6731 -109572.5305 298.6436 27.0225 57.6292 760427.5385 1.5401 1.5368 PRESSURE: 96800 -136.571 -153.245 -23.6825 -153.244 -329.323 -64.0172 -23.6829 -64.0167 -13.2304 GPRESSURE: 96800 -46.4177 -103.769 -133.717 -147.267 -324.365 56.2165 -62.9066 -162.549 -18.4882 PRESSAVG: 96800 2.43211 -11.9101 -45.0043 -11.9102 48.8088 45.4277 -45.0043 45.4277 1.79922 GPRESSAVG: 96800 2.35235 -11.2605 -42.6518 -11.8614 48.119 46.2913 -45.1858 45.3873 2.53936 TIMING: 96800 CPU: 303.8, 0.00315283/step Wall: 303.8, 0.00315283/step, 4.29416 hours remaining, 226.550781 MB of memory in use. ENERGY: 96800 3947.0606 20359.5911 14487.0558 234.5090 -203731.4816 2641.1981 0.0000 0.0000 52133.4099 -109928.6571 299.6114 -162062.0670 -109570.3441 298.7530 -159.7083 -129.7570 759724.8182 17.6800 17.6702 PRESSURE: 97000 -307.054 -71.4694 -25.5956 -71.4699 408.913 209.166 -25.596 209.166 -40.4345 GPRESSURE: 97000 -232.326 -97.8666 -17.5744 -64.808 339.94 208.973 29.1839 119.404 32.2656 PRESSAVG: 97000 -64.9839 -36.4708 21.4532 -36.4708 45.1865 68.0228 21.4532 68.0228 9.33968 GPRESSAVG: 97000 -63.464 -36.5892 18.1272 -36.7274 45.0014 68.3516 21.8591 64.1113 7.72597 TIMING: 97000 CPU: 304.432, 0.00315983/step Wall: 304.432, 0.00315984/step, 4.30352 hours remaining, 226.621094 MB of memory in use. ENERGY: 97000 3949.4802 20505.3959 14489.5631 230.0536 -203550.4368 2773.4682 0.0000 0.0000 51682.9692 -109919.5067 297.0227 -161602.4759 -109565.6799 298.1432 20.4748 46.6265 761420.8224 -3.4859 -3.5789 PRESSURE: 97200 -200.041 29.4351 49.9002 29.4344 11.1469 -54.4031 49.8986 -54.4033 65.9287 GPRESSURE: 97200 -225.75 66.5711 123.849 37.7858 94.0259 -55.7426 -60.8352 10.3103 106.617 PRESSAVG: 97200 -79.9545 56.641 0.702437 56.641 82.3147 15.9462 0.702442 15.9462 -1.94417 GPRESSAVG: 97200 -82.0731 57.6018 1.95083 54.8585 84.1833 15.2311 1.65667 17.7364 -1.5869 TIMING: 97200 CPU: 305.065, 0.00316719/step Wall: 305.065, 0.00316719/step, 4.31336 hours remaining, 226.621094 MB of memory in use. ENERGY: 97200 3993.7181 20496.8386 14525.8750 240.7673 -203517.4511 2588.3090 0.0000 0.0000 51855.4285 -109816.5147 298.0139 -161671.9432 -109452.3876 298.6838 -40.9884 -8.3690 762512.2575 0.1387 0.1744 PRESSURE: 97400 -10.4392 -224.019 -152.676 -224.019 41.1065 -274.567 -152.676 -274.567 0.173085 GPRESSURE: 97400 29.3053 -243.814 -127.529 -203.314 105.243 -389.594 -117.423 -190.547 -8.03993 PRESSAVG: 97400 -44.555 1.04736 -2.24809 1.04736 54.1865 48.0951 -2.24809 48.0951 -22.4225 GPRESSAVG: 97400 -43.6849 0.557762 -1.62153 1.26596 53.501 48.3622 -2.63594 49.1611 -22.5903 TIMING: 97400 CPU: 305.698, 0.0031664/step Wall: 305.698, 0.0031664/step, 4.31211 hours remaining, 226.621094 MB of memory in use. ENERGY: 97400 4026.1264 20487.0972 14456.5181 239.7976 -203695.8177 2904.1337 0.0000 0.0000 51848.9031 -109733.2416 297.9764 -161582.1447 -109366.0140 298.5394 10.2801 42.1695 761288.2957 -4.2637 -4.2580 PRESSURE: 97600 -144.973 42.2569 8.81176 42.2564 2.99163 60.1148 8.81219 60.1154 7.62588 GPRESSURE: 97600 -95.886 -29.14 34.0552 76.9383 70.3595 66.3528 14.3647 81.0369 -21.2783 PRESSAVG: 97600 -9.28576 26.8413 3.29655 26.8414 -10.7101 39.6246 3.29656 39.6246 2.17344 GPRESSAVG: 97600 -10.6012 24.3868 2.23131 30.4325 -10.3677 40.819 2.5575 39.014 3.17825 TIMING: 97600 CPU: 306.328, 0.00314956/step Wall: 306.328, 0.00314956/step, 4.28899 hours remaining, 226.621094 MB of memory in use. ENERGY: 97600 3941.6640 20594.6209 14410.7049 244.0843 -203600.2391 2637.2062 0.0000 0.0000 52130.7226 -109641.2361 299.5960 -161771.9587 -109276.6204 298.9257 -44.7852 -15.6016 761793.8836 -5.9408 -5.9302 PRESSURE: 97800 -300.515 -120.396 -7.15173 -120.396 -149.458 -25.9977 -7.15145 -25.9981 -163.592 GPRESSURE: 97800 -191.049 -39.2077 -58.6394 -125.363 -219.248 -132.51 -13.7709 38.4439 -111.296 PRESSAVG: 97800 -71.9216 10.1956 -29.6616 10.1956 73.6217 82.1502 -29.6616 82.1501 14.5792 GPRESSAVG: 97800 -71.4088 10.8974 -28.5659 7.63538 73.3515 81.6593 -30.8008 81.7163 13.9182 TIMING: 97800 CPU: 306.958, 0.0031506/step Wall: 306.958, 0.0031506/step, 4.29024 hours remaining, 226.621094 MB of memory in use. ENERGY: 97800 4079.7280 20568.8289 14418.7384 236.4229 -203281.7184 2640.6672 0.0000 0.0000 51953.2505 -109384.0825 298.5760 -161337.3330 -109031.4885 299.3834 -204.5218 -173.8641 760532.9601 5.4264 5.2870 PRESSURE: 98000 -58.4106 170.349 17.9911 170.349 -19.317 75.9259 17.9918 75.9253 -213.996 GPRESSURE: 98000 -41.5185 36.9119 23.4656 267.194 13.6361 88.7713 72.1807 67.6803 -177.887 PRESSAVG: 98000 -66.6934 6.35965 -1.03564 6.3596 20.178 69.4903 -1.03561 69.4903 18.3994 GPRESSAVG: 98000 -66.1517 7.15023 -0.592 7.069 19.4726 69.239 -1.1894 71.8145 18.0041 TIMING: 98000 CPU: 307.588, 0.0031498/step Wall: 307.588, 0.0031498/step, 4.28897 hours remaining, 226.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 98000 4019.7764 20616.8189 14435.8536 252.3352 -203012.8157 2344.8355 0.0000 0.0000 52131.5166 -109211.6796 299.6005 -161343.1962 -108843.3014 299.9625 -97.2412 -68.5898 762661.1126 -9.3720 -9.5583 PRESSURE: 98200 124.382 -62.4624 -178.706 -62.463 368.628 90.5203 -178.706 90.5211 304.928 GPRESSURE: 98200 228.459 -0.344573 -212.782 -165.91 367.898 42.612 -168.996 8.64904 276.594 PRESSAVG: 98200 -28.7601 13.9398 -5.78227 13.9398 49.5102 36.2873 -5.78224 36.2872 -8.16597 GPRESSAVG: 98200 -29.0232 14.7969 -7.617 12.6975 49.3801 38.2409 -2.70592 35.2462 -8.13202 TIMING: 98200 CPU: 308.214, 0.00312915/step Wall: 308.214, 0.00312915/step, 4.26068 hours remaining, 226.621094 MB of memory in use. ENERGY: 98200 4022.9785 20626.4911 14449.5454 232.5688 -203507.7143 2742.3996 0.0000 0.0000 52384.5068 -109049.2240 301.0545 -161433.7309 -108692.8686 300.1396 265.9794 290.9838 761905.3440 4.1947 4.0750 PRESSURE: 98400 -164.402 206.802 205.579 206.803 -75.9062 169.982 205.578 169.983 -219.667 GPRESSURE: 98400 -93.9837 98.1883 257.034 252.908 -88.2696 225.331 81.2524 86.3699 -199.591 PRESSAVG: 98400 -34.0582 25.2427 -7.31685 25.2427 42.5434 -32.2895 -7.31682 -32.2894 19.4903 GPRESSAVG: 98400 -34.9005 24.5755 -7.52229 25.4574 43.2738 -34.106 -8.64056 -31.6145 19.6462 TIMING: 98400 CPU: 308.838, 0.00311845/step Wall: 308.838, 0.00311845/step, 4.24594 hours remaining, 226.621094 MB of memory in use. ENERGY: 98400 4026.9079 20553.4493 14374.3498 246.2200 -203187.4918 2543.9577 0.0000 0.0000 52339.1166 -109103.4906 300.7936 -161442.6072 -108744.8631 300.0815 -153.3251 -127.2814 761447.0595 9.3252 9.3398 PRESSURE: 98600 -234.531 -4.84533 -61.9612 -4.84588 -619.998 -73.0369 -61.9615 -73.0375 -404.759 GPRESSURE: 98600 -103.925 34.2916 -45.1552 -1.3871 -644.809 -142.401 -44.3711 94.8492 -411.964 PRESSAVG: 98600 10.7841 3.99288 15.9768 3.99286 37.3255 27.8937 15.9769 27.8936 -5.00411 GPRESSAVG: 98600 10.2701 2.92643 17.2017 6.6612 37.2129 26.5382 16.9221 28.652 -4.71173 TIMING: 98600 CPU: 309.468, 0.00314949/step Wall: 309.468, 0.00314949/step, 4.28803 hours remaining, 226.621094 MB of memory in use. ENERGY: 98600 4038.9568 20535.3774 14450.0687 260.9428 -203343.7523 2539.4406 0.0000 0.0000 52052.2894 -109466.6766 299.1452 -161518.9660 -109100.6131 299.9182 -419.7627 -386.8993 760538.0709 14.3685 14.2571 PRESSURE: 98800 -229.588 -60.5787 -180.598 -60.5782 -283.573 -42.3566 -180.599 -42.3571 118.4 GPRESSURE: 98800 -208.118 -106.09 -212.464 -15.4346 -124.815 -55.7897 -57.4763 -7.26591 19.4813 PRESSAVG: 98800 -22.4718 -28.0865 -9.1283 -28.0865 35.78 -11.7598 -9.12829 -11.7599 14.8477 GPRESSAVG: 98800 -21.5629 -26.9979 -8.60068 -29.4889 35.5664 -12.4759 -10.6535 -11.3068 14.5049 TIMING: 98800 CPU: 310.095, 0.00313915/step Wall: 310.095, 0.00313915/step, 4.27377 hours remaining, 226.621094 MB of memory in use. ENERGY: 98800 4061.1452 20453.2020 14486.0999 259.3585 -202930.1863 2331.3047 0.0000 0.0000 51859.3388 -109479.7372 298.0363 -161339.0760 -109116.6356 299.5062 -131.5869 -104.4837 763510.8214 9.3853 9.5028 PRESSURE: 99000 -421.636 2.14763 -72.1744 2.14769 -151.667 -120.052 -72.175 -120.051 -208.047 GPRESSURE: 99000 -462.344 74.1485 -89.4638 69.3052 -75.2521 -21.8626 32.9654 -128.44 -167.043 PRESSAVG: 99000 -13.1448 -15.4302 -36.041 -15.4302 43.3204 -46.5513 -36.041 -46.5514 10.6189 GPRESSAVG: 99000 -12.2306 -16.6273 -37.5168 -15.8049 43.233 -44.507 -33.6084 -49.3284 9.71181 TIMING: 99000 CPU: 310.729, 0.00316788/step Wall: 310.729, 0.00316788/step, 4.31272 hours remaining, 226.621094 MB of memory in use. ENERGY: 99000 4039.3577 20485.4103 14547.9351 256.2574 -203259.1578 2435.1357 0.0000 0.0000 51958.9750 -109536.0866 298.6089 -161495.0616 -109173.8465 299.2462 -260.4501 -234.8799 761508.6008 13.5982 13.5714 PRESSURE: 99200 -154.717 74.0483 98.9949 74.0483 322.074 -109.008 98.9942 -109.009 -38.1341 GPRESSURE: 99200 -179.203 69.9779 92.5899 25.4078 332.08 -73.8471 45.4614 -85.1229 58.2692 PRESSAVG: 99200 -142.146 19.8919 14.9326 19.8919 82.7478 -27.5949 14.9326 -27.5949 -1.51578 GPRESSAVG: 99200 -143.285 22.7273 15.2651 19.4319 83.4235 -26.5479 12.1442 -27.1514 -1.19911 TIMING: 99200 CPU: 311.361, 0.00315746/step Wall: 311.361, 0.00315746/step, 4.29836 hours remaining, 226.621094 MB of memory in use. ENERGY: 99200 3996.4746 20486.7928 14496.4391 243.7565 -203362.7431 2564.6562 0.0000 0.0000 52155.1156 -109419.5084 299.7362 -161574.6240 -109063.8704 299.1026 43.0741 70.3821 761668.1263 -20.3046 -20.3535 PRESSURE: 99400 79.9037 93.2212 28.3003 93.2203 -149.884 35.3812 28.2996 35.3806 301.644 GPRESSURE: 99400 67.1971 -48.2244 98.5417 26.5686 -82.634 95.4037 6.94465 78.0388 320.962 PRESSAVG: 99400 16.0135 10.4421 5.0287 10.442 34.1739 2.11614 5.02869 2.11608 -8.42643 GPRESSAVG: 99400 15.5578 10.6471 5.42938 7.84664 34.4264 0.570359 3.31382 4.44058 -8.75678 TIMING: 99400 CPU: 311.995, 0.00317263/step Wall: 311.995, 0.00317263/step, 4.31883 hours remaining, 226.621094 MB of memory in use. ENERGY: 99400 3951.8295 20522.3314 14497.9598 232.5179 -203386.8457 2759.0966 0.0000 0.0000 51824.6541 -109598.4563 297.8370 -161423.1104 -109239.7497 299.1180 77.2214 101.8415 762184.1922 13.9203 13.7425 PRESSURE: 99600 -170.502 87.9756 0.751393 87.9755 16.0737 -202.167 0.751957 -202.167 -96.7167 GPRESSURE: 99600 -143.755 53.2643 -24.6922 -37.4839 41.0352 -182.706 70.9002 -291.78 -58.6676 PRESSAVG: 99600 -30.3047 27.2096 12.2185 27.2096 26.2802 16.2365 12.2185 16.2363 5.48273 GPRESSAVG: 99600 -28.0205 24.8946 10.8455 30.5924 24.9879 17.6381 16.0147 13.4612 4.8311 TIMING: 99600 CPU: 312.633, 0.0031876/step Wall: 312.633, 0.0031876/step, 4.33903 hours remaining, 226.621094 MB of memory in use. ENERGY: 99600 3977.9816 20561.5758 14580.2072 249.6347 -203522.7407 2632.2019 0.0000 0.0000 51921.0839 -109600.0555 298.3912 -161521.1394 -109246.0445 299.0164 -83.7149 -53.7959 760241.8781 0.4861 0.5995 PRESSURE: 99800 229.899 104.749 -313.069 104.748 -125.584 118.498 -313.069 118.499 135.965 GPRESSURE: 99800 301.235 106.688 -294.253 228.21 -134.01 139.673 -218.956 234.041 149.842 PRESSAVG: 99800 -5.05131 -2.02597 -40.1754 -2.02591 45.3731 -11.1351 -40.1754 -11.1351 7.57403 GPRESSAVG: 99800 -7.05612 0.404503 -39.251 -2.20776 45.3526 -11.7586 -40.3161 -9.4284 8.97823 TIMING: 99800 CPU: 313.269, 0.00318349/step Wall: 313.269, 0.00318349/step, 4.33326 hours remaining, 226.621094 MB of memory in use. ENERGY: 99800 3956.7309 20589.3578 14507.0773 262.0674 -203690.8659 2852.1802 0.0000 0.0000 51983.1552 -109540.2971 298.7479 -161523.4523 -109177.5415 298.8751 80.0934 105.6890 759499.8188 15.9653 15.7582 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.022 seconds, 231.000 MB of memory in use PRESSURE: 100000 -119.557 155.858 10.784 155.858 -158.307 -82.3211 10.7838 -82.3216 5.84915 GPRESSURE: 100000 -87.6473 180.515 -90.1176 72.4782 -91.9198 -61.4199 -73.5151 -93.7135 -20.6932 PRESSAVG: 100000 15.2599 -14.5298 -6.39507 -14.5298 -13.2673 -25.9195 -6.39515 -25.9195 -0.051395 GPRESSAVG: 100000 15.6704 -16.0875 -4.86128 -15.4614 -12.8455 -24.0136 -9.97945 -27.1342 -0.783916 TIMING: 100000 CPU: 313.935, 0.0033278/step Wall: 313.935, 0.0033278/step, 4.52951 hours remaining, 232.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 100000 4037.2311 20404.8680 14524.0683 239.2544 -203367.8041 2469.0812 0.0000 0.0000 52135.1510 -109558.1502 299.6214 -161693.3011 -109199.2473 298.9253 -90.6716 -66.7535 761449.0646 0.6471 0.6803 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.005 seconds, 232.211 MB of memory in use PRESSURE: 100200 70.7412 57.3378 17.5471 57.3372 180.376 189.783 17.5466 189.783 -6.26184 GPRESSURE: 100200 207.662 62.7511 -71.3964 6.44346 124.929 137.871 58.1623 181.639 -11.2878 PRESSAVG: 100200 45.9769 33.6695 -46.8984 33.6696 -27.1057 14.0659 -46.8985 14.0658 -7.19403 GPRESSAVG: 100200 47.1285 34.3649 -47.312 33.1002 -27.0782 12.7028 -45.3765 13.9098 -8.21259 TIMING: 100200 CPU: 314.576, 0.0032062/step Wall: 314.576, 0.0032062/step, 4.36382 hours remaining, 232.250000 MB of memory in use. ENERGY: 100200 3967.8389 20606.8818 14523.7040 241.9029 -203465.9074 2617.1997 0.0000 0.0000 52195.1471 -109313.2330 299.9662 -161508.3801 -108957.9537 299.6419 81.6186 107.1011 760518.7932 3.8924 3.9459 LDB: ============= START OF LOAD BALANCING ============== 326.975 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 326.975 LDB: =============== DONE WITH MIGRATION ================ 326.977 LDB: ============= START OF LOAD BALANCING ============== 327.296 LDB: Largest compute 7075 load 0.032573 is 16.7% of average load 0.195476 LDB: Average compute 0.004366 is 2.2% of average load 0.195476 LDB: TIME 327.299 LOAD: AVG 0.195476 MAX 0.217592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 230.93 MB LDB: TIME 327.3 LOAD: AVG 0.195476 MAX 0.217592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.93 MB LDB: TIME 327.3 LOAD: AVG 0.195476 MAX 0.217592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 327.302 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 327.306 PRESSURE: 100400 -46.1716 64.8815 75.0803 64.8808 89.2748 189.476 75.08 189.475 40.8354 GPRESSURE: 100400 5.15227 44.3158 86.5246 -58.7988 107.471 235.445 -8.51386 121.332 67.8202 PRESSAVG: 100400 27.2919 12.6575 -36.9508 12.6574 16.3582 45.799 -36.9507 45.7989 -15.9719 GPRESSAVG: 100400 26.5482 13.0934 -38.8519 12.5087 15.6722 45.7046 -36.0776 46.4931 -13.6858 TIMING: 100400 CPU: 315.224, 0.00323883/step Wall: 315.224, 0.00323883/step, 4.40804 hours remaining, 231.953125 MB of memory in use. ENERGY: 100400 4042.4600 20584.9928 14522.2604 256.9390 -203220.2007 2522.1708 0.0000 0.0000 51907.1287 -109384.2491 298.3110 -161291.3778 -109029.4132 299.1810 27.9795 60.1479 760948.6429 9.2260 9.5115 PRESSURE: 100600 423.096 247.738 -89.9801 247.739 100.334 -6.78957 -89.9795 -6.7901 6.63332 GPRESSURE: 100600 457.418 356.619 -87.5222 267.412 124.007 -14.4758 -107.579 10.2916 25.4112 PRESSAVG: 100600 -24.9595 -7.64229 -9.96175 -7.64224 37.4996 -18.225 -9.96167 -18.2251 5.34047 GPRESSAVG: 100600 -25.3941 -7.71762 -6.79279 -6.45077 37.0114 -19.1413 -12.6979 -17.3742 5.96952 TIMING: 100600 CPU: 315.859, 0.00317343/step Wall: 315.859, 0.00317343/step, 4.31886 hours remaining, 231.953125 MB of memory in use. ENERGY: 100600 4016.2170 20458.4569 14547.8542 251.0705 -203336.1536 2377.2529 0.0000 0.0000 52339.4955 -109345.8066 300.7958 -161685.3021 -108977.4305 299.2256 176.6876 202.2789 759912.7659 5.9602 5.8623 PRESSURE: 100800 -232.031 -98.5777 150.299 -98.5776 -160.033 -60.1873 150.299 -60.1882 12.7818 GPRESSURE: 100800 -238.743 -217.849 188.555 -151.669 -174.454 -112.086 153.223 -10.1908 85.1844 PRESSAVG: 100800 -71.1211 10.4669 1.73432 10.4669 51.2596 32.2784 1.73433 32.2785 -8.80323 GPRESSAVG: 100800 -72.2853 8.1936 -0.726691 10.2444 52.7223 34.3964 5.07366 31.0914 -9.37113 TIMING: 100800 CPU: 316.49, 0.00315864/step Wall: 316.49, 0.00315864/step, 4.29856 hours remaining, 231.953125 MB of memory in use. ENERGY: 100800 4022.3756 20621.5157 14458.7112 237.9927 -203544.3740 2557.0587 0.0000 0.0000 52181.1351 -109465.5852 299.8857 -161646.7202 -109098.9643 299.9476 -126.4271 -109.3378 760794.1324 -9.5549 -9.6447 PRESSURE: 101000 -234.689 -99.6392 116.899 -99.639 -112.97 81.2131 116.898 81.2141 -311.625 GPRESSURE: 101000 -224.487 26.5611 92.8156 -90.7814 -35.9199 29.48 2.86937 148.377 -306.587 PRESSAVG: 101000 12.781 15.1061 -4.61096 15.106 32.0082 -14.2987 -4.61099 -14.2987 8.21406 GPRESSAVG: 101000 13.4014 16.5387 -3.78999 15.9301 31.3172 -15.1572 -6.87766 -13.189 8.26822 TIMING: 101000 CPU: 317.12, 0.00314849/step Wall: 317.12, 0.00314849/step, 4.28458 hours remaining, 231.953125 MB of memory in use. ENERGY: 101000 4020.3544 20811.9831 14507.6610 223.7169 -203229.1116 2443.8491 0.0000 0.0000 51864.2378 -109357.3093 298.0645 -161221.5470 -108992.8070 299.5725 -219.7611 -188.9981 761521.2582 17.6678 17.6623 PRESSURE: 101200 205.755 -131.65 -349.657 -131.651 440.326 213.564 -349.658 213.565 90.6464 GPRESSURE: 101200 218.641 -64.0984 -322.551 -164.235 462.551 176.746 -295.798 208.733 150.197 PRESSAVG: 101200 -50.227 39.5255 -55.8837 39.5254 38.7633 31.557 -55.8837 31.557 17.7354 GPRESSAVG: 101200 -49.6783 40.3433 -57.4825 38.575 38.2803 30.2301 -54.601 31.6105 17.7224 TIMING: 101200 CPU: 317.751, 0.00315441/step Wall: 317.751, 0.00315441/step, 4.29245 hours remaining, 231.953125 MB of memory in use. ENERGY: 101200 4024.4876 20641.2197 14534.1164 239.0468 -203707.7293 2877.5546 0.0000 0.0000 51988.4410 -109402.8631 298.7783 -161391.3041 -109043.7929 299.3753 245.5757 277.1295 761280.7995 2.0906 2.1081 PRESSURE: 101400 0.0876273 -138.768 -38.6833 -138.768 -105.256 -140.37 -38.6843 -140.369 294.728 GPRESSURE: 101400 35.7909 -92.3322 -38.9449 -119.592 -40.8425 -280.608 75.5503 -107.936 280.163 PRESSAVG: 101400 -58.4036 0.986774 34.2322 0.98677 25.2605 31.876 34.2322 31.8761 -0.664056 GPRESSAVG: 101400 -57.9793 0.134921 35.7928 2.17253 25.6168 32.2868 34.3741 32.4435 -1.63818 TIMING: 101400 CPU: 318.381, 0.00315218/step Wall: 318.381, 0.00315218/step, 4.28924 hours remaining, 231.953125 MB of memory in use. ENERGY: 101400 3967.0996 20485.3243 14584.4138 242.3712 -203420.2941 2487.9474 0.0000 0.0000 52106.0339 -109547.1040 299.4541 -161653.1379 -109178.2961 299.1267 63.1868 91.7039 760537.8349 -11.2691 -11.3336 PRESSURE: 101600 -255.824 -2.64301 15.1765 -2.64292 168.12 -32.0223 15.177 -32.0223 -342.063 GPRESSURE: 101600 -176.633 10.3945 84.1839 -14.5859 109.396 67.8216 22.7182 -26.1371 -279.643 PRESSAVG: 101600 30.7687 46.3232 -8.47842 46.3232 -2.99583 6.85344 -8.47833 6.85342 -10.4225 GPRESSAVG: 101600 30.079 47.3641 -8.53142 43.4377 -2.38668 7.80538 -10.9175 4.30904 -10.438 TIMING: 101600 CPU: 319.014, 0.00316425/step Wall: 319.014, 0.00316425/step, 4.30549 hours remaining, 231.953125 MB of memory in use. ENERGY: 101600 4030.5160 20590.0004 14542.1010 236.7482 -203511.7569 2423.3888 0.0000 0.0000 52157.9022 -109531.1002 299.7522 -161689.0025 -109160.2962 299.7817 -143.2556 -115.6267 760333.3568 5.7835 5.7514 PRESSURE: 101800 282.719 -24.4611 208.968 -24.4608 115.063 157.732 208.967 157.732 340.178 GPRESSURE: 101800 319.827 -51.0063 253.105 20.8671 183.336 149.465 382.322 146.46 321.869 PRESSAVG: 101800 -11.5337 -15.527 17.4831 -15.5269 25.2609 26.3664 17.4831 26.3666 14.8498 GPRESSAVG: 101800 -10.2204 -17.3813 19.0472 -13.3063 25.3577 28.2156 20.3347 26.3504 13.8519 TIMING: 101800 CPU: 319.648, 0.00316873/step Wall: 319.648, 0.00316873/step, 4.31141 hours remaining, 231.953125 MB of memory in use. ENERGY: 101800 3992.6950 20470.1388 14514.4343 254.9280 -203843.5327 2812.3127 0.0000 0.0000 52286.2805 -109512.7434 300.4900 -161799.0239 -109150.4090 299.4683 245.9870 275.0104 760097.6608 9.5257 9.6631 PRESSURE: 102000 320.022 -69.9577 193.95 -69.9571 275.611 69.2529 193.95 69.2522 -322.023 GPRESSURE: 102000 362.468 -27.5502 195.162 -111.779 183.73 160.221 85.2016 130.573 -199.812 PRESSAVG: 102000 -13.8106 -2.79278 19.7094 -2.79273 18.6336 -17.5731 19.7094 -17.5731 7.07112 GPRESSAVG: 102000 -13.396 -0.575081 16.4949 -3.46847 17.9739 -18.9821 16.7992 -14.7244 6.99882 TIMING: 102000 CPU: 320.279, 0.0031581/step Wall: 320.279, 0.0031581/step, 4.29677 hours remaining, 231.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 102000 3979.5741 20467.4013 14576.0592 263.8700 -203735.6811 2772.0900 0.0000 0.0000 52096.9958 -109579.6907 299.4022 -161676.6865 -109223.2333 299.1743 91.2032 115.4619 760728.7516 3.9647 3.8589 PRESSURE: 102200 -369.788 -88.745 -194.909 -88.745 -400.577 5.22769 -194.909 5.22721 -87.6981 GPRESSURE: 102200 -419.723 -36.1515 -148.934 6.94204 -244.164 -67.6055 -202.945 52.9011 -125.81 PRESSAVG: 102200 9.9158 28.1849 -10.6014 28.1848 21.2257 42.3062 -10.6013 42.3062 -11.3435 GPRESSAVG: 102200 8.5696 27.8378 -9.94486 29.7379 22.2578 41.4049 -8.99919 40.9891 -10.8198 TIMING: 102200 CPU: 320.908, 0.00314468/step Wall: 320.908, 0.00314468/step, 4.27834 hours remaining, 231.953125 MB of memory in use. ENERGY: 102200 4008.3812 20508.2564 14564.7887 278.8626 -203290.8515 2381.8735 0.0000 0.0000 52066.4538 -109482.2353 299.2266 -161548.6891 -109120.9123 298.8917 -286.0211 -263.2323 762416.4030 6.5993 6.6692 PRESSURE: 102400 144.85 -79.01 -156.883 -79.0094 -76.8194 2.07156 -156.882 2.0709 161.412 GPRESSURE: 102400 104.057 -35.7007 -203.212 -42.4471 97.1045 46.3159 -234.92 -54.9807 122.26 PRESSAVG: 102400 20.7474 42.9561 13.1629 42.9561 -41.8294 86.0212 13.1629 86.0212 0.847354 GPRESSAVG: 102400 20.071 43.1771 13.9508 41.9292 -40.9511 87.7529 13.0122 85.317 0.809012 TIMING: 102400 CPU: 321.536, 0.00313832/step Wall: 321.536, 0.00313832/step, 4.26951 hours remaining, 231.953125 MB of memory in use. ENERGY: 102400 3928.2162 20490.1771 14518.5919 251.9907 -203408.6466 2646.0318 0.0000 0.0000 51991.3066 -109582.3322 298.7948 -161573.6388 -109215.0863 299.1274 76.4808 107.8069 762305.7974 -6.7449 -6.6904 PRESSURE: 102600 288.002 -20.6973 -115.23 -20.697 -267.006 10.237 -115.23 10.2377 257.194 GPRESSURE: 102600 211.856 22.6493 -107.112 -34.3699 -108.999 31.6829 -42.933 72.7572 263.74 PRESSAVG: 102600 12.5317 30.3772 8.72419 30.3772 31.1267 -39.51 8.72409 -39.51 32.9861 GPRESSAVG: 102600 13.1964 29.8582 8.46022 29.0898 30.2092 -41.2007 10.8226 -38.7793 33.4078 TIMING: 102600 CPU: 322.165, 0.00314552/step Wall: 322.165, 0.00314552/step, 4.27913 hours remaining, 231.953125 MB of memory in use. ENERGY: 102600 4042.5843 20481.8044 14539.1650 249.5526 -203496.5766 2611.1779 0.0000 0.0000 52035.5960 -109536.6964 299.0493 -161572.2924 -109179.8719 299.5186 92.7301 122.1991 760848.4163 25.5482 25.6044 PRESSURE: 102800 -78.272 113.033 49.7761 113.033 37.2762 -23.5148 49.7752 -23.5145 -554.246 GPRESSURE: 102800 -63.3758 101.361 21.7082 181.904 56.9263 -79.2777 86.2451 148.991 -504.408 PRESSAVG: 102800 -13.8582 -8.61463 -14.4124 -8.61461 10.7801 18.875 -14.4125 18.875 17.6564 GPRESSAVG: 102800 -14.3653 -8.92087 -14.8033 -6.39981 11.3519 18.4961 -16.0113 17.1924 16.9624 TIMING: 102800 CPU: 322.798, 0.00316184/step Wall: 322.798, 0.00316184/step, 4.30116 hours remaining, 231.953125 MB of memory in use. ENERGY: 102800 4022.9357 20637.0504 14527.7215 238.4102 -203373.8721 2566.0274 0.0000 0.0000 51896.4401 -109485.2867 298.2496 -161381.7268 -109125.3065 299.4621 -198.4140 -170.2860 761370.0756 4.8594 4.6496 PRESSURE: 103000 3.9971 220.18 -32.1189 220.179 65.8673 10.9709 -32.119 10.9706 335.579 GPRESSURE: 103000 25.2074 150.708 -116.403 133.725 117.044 25.4561 -103.09 115.798 338.054 PRESSAVG: 103000 26.7306 46.4448 22.9469 46.4448 -16.19 6.84774 22.9468 6.84779 5.3827 GPRESSAVG: 103000 26.5096 44.6662 20.5932 45.6832 -16.9033 10.2266 22.4824 7.99238 6.04972 TIMING: 103000 CPU: 323.428, 0.00315114/step Wall: 323.428, 0.00315114/step, 4.28643 hours remaining, 232.156250 MB of memory in use. ENERGY: 103000 3955.8575 20514.6234 14458.4616 249.3335 -203432.0363 2709.6071 0.0000 0.0000 52112.4920 -109431.6611 299.4912 -161544.1531 -109077.5920 299.7444 135.1478 160.1016 760252.7286 5.3078 5.2186 PRESSURE: 103200 -243.9 117.939 -202.756 117.939 -204.246 156.892 -202.756 156.892 -206.821 GPRESSURE: 103200 -214.736 162.917 -148.516 104.427 -111.373 165.358 -109.971 222.761 -251.901 PRESSAVG: 103200 -0.255431 85.2455 -36.9079 85.2456 -20.2138 9.78104 -36.9079 9.78106 2.37658 GPRESSAVG: 103200 -0.818198 86.3797 -34.7859 83.5399 -20.2577 8.33508 -37.4894 9.85016 3.43855 TIMING: 103200 CPU: 324.059, 0.00315441/step Wall: 324.059, 0.00315441/step, 4.2907 hours remaining, 232.156250 MB of memory in use. ENERGY: 103200 4022.8960 20603.3539 14592.4721 244.7408 -202991.3178 2282.7567 0.0000 0.0000 52096.3735 -109148.7248 299.3986 -161245.0983 -108787.9078 299.6421 -218.3226 -192.6699 761722.1941 -6.0309 -5.8791 PRESSURE: 103400 -125.213 -117.483 10.7047 -117.484 186.732 -159.556 10.7046 -159.557 -138.699 GPRESSURE: 103400 -81.3667 -58.7841 -28.7581 -62.4303 198.802 -163.914 -67.9027 -184.549 -123.205 PRESSAVG: 103400 -12.0176 78.5858 -20.4276 78.5858 36.7209 19.5931 -20.4276 19.5931 -5.47087 GPRESSAVG: 103400 -12.3799 79.0995 -19.6539 79.1416 36.065 18.6968 -18.6786 18.0848 -4.65085 TIMING: 103400 CPU: 324.692, 0.00316589/step Wall: 324.692, 0.00316589/step, 4.30613 hours remaining, 232.156250 MB of memory in use. ENERGY: 103400 3989.6704 20632.7960 14503.4117 234.5392 -203267.7804 2502.7698 0.0000 0.0000 52177.2599 -109227.3334 299.8634 -161404.5934 -108866.7898 299.5045 -25.7266 -1.9234 761943.2823 6.4108 6.3447 PRESSURE: 103600 170.948 14.0875 152.954 14.0875 -15.6302 -140.155 152.955 -140.154 343.427 GPRESSURE: 103600 262.302 75.6167 159.192 7.21003 -84.0426 -70.5492 230.931 -116.734 407.43 PRESSAVG: 103600 -4.58646 60.1133 23.683 60.1134 -7.34348 12.5708 23.683 12.5708 -13.6091 GPRESSAVG: 103600 -3.99704 61.1358 22.0403 59.7442 -6.90306 12.3568 23.1688 12.1061 -14.9231 TIMING: 103600 CPU: 325.325, 0.00316757/step Wall: 325.325, 0.00316757/step, 4.30825 hours remaining, 232.156250 MB of memory in use. ENERGY: 103600 3958.7434 20597.8560 14539.3219 229.9419 -203600.4554 2792.0666 0.0000 0.0000 52309.9019 -109172.6237 300.6257 -161482.5257 -108813.4566 299.6882 166.2483 195.2299 760594.1250 -8.5130 -8.6077 PRESSURE: 103800 -517.169 -156.555 -43.9113 -156.555 -59.7577 -23.3953 -43.912 -23.3939 -276.818 GPRESSURE: 103800 -502.471 -192.479 -43.292 7.65189 56.0311 -5.5583 -20.3396 -0.933588 -294.377 PRESSAVG: 103800 -31.6081 44.8216 40.827 44.8216 -19.4396 -27.2093 40.8271 -27.2093 4.46713 GPRESSAVG: 103800 -31.1415 44.2901 41.8952 48.3726 -18.9925 -25.8194 40.3254 -23.8499 4.20311 TIMING: 103800 CPU: 325.957, 0.00315831/step Wall: 325.957, 0.00315831/step, 4.29548 hours remaining, 232.156250 MB of memory in use. ENERGY: 103800 4018.5970 20540.2090 14522.2748 226.2905 -203236.6430 2421.6057 0.0000 0.0000 52205.9641 -109301.7019 300.0284 -161507.6660 -108944.7291 299.5598 -284.5817 -246.9388 762872.6443 -15.5269 -15.3103 PRESSURE: 104000 54.188 -147.597 23.1808 -147.598 -136.234 -131.975 23.1811 -131.976 136.928 GPRESSURE: 104000 64.0476 31.7354 45.2693 -70.8873 -85.8631 -161.622 -53.6415 -109.136 153.531 PRESSAVG: 104000 -15.1237 -18.542 6.18504 -18.542 48.8536 30.3151 6.18506 30.3151 16.5874 GPRESSAVG: 104000 -16.0849 -16.8937 7.37838 -18.7955 49.7361 29.2882 6.07317 29.7713 16.6955 TIMING: 104000 CPU: 326.593, 0.00317764/step Wall: 326.593, 0.00317764/step, 4.32158 hours remaining, 232.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 104000 3880.5163 20555.3544 14542.4059 242.6239 -203205.3017 2407.2335 0.0000 0.0000 52132.7357 -109444.4320 299.6075 -161577.1677 -109076.4657 299.7382 18.2940 43.9051 759069.3439 16.7724 16.7822 PRESSURE: 104200 230.36 -87.5171 -60.0923 -87.5174 -384.063 -69.7461 -60.0929 -69.7475 -294.572 GPRESSURE: 104200 181.079 -130.189 -63.9599 -201.721 -311.768 -74.9175 -147.543 -129.593 -239.381 PRESSAVG: 104200 21.277 -13.6827 67.6534 -13.6826 -21.912 -6.96478 67.6534 -6.9648 22.8987 GPRESSAVG: 104200 21.9711 -16.5519 66.3843 -16.4185 -22.7618 -8.25237 69.5913 -7.36224 23.4353 TIMING: 104200 CPU: 327.227, 0.0031718/step Wall: 327.227, 0.0031718/step, 4.31347 hours remaining, 232.156250 MB of memory in use. ENERGY: 104200 4018.0959 20278.2991 14497.7131 252.9966 -203274.4927 2582.4312 0.0000 0.0000 52133.1375 -109511.8194 299.6099 -161644.9569 -109132.7030 299.2894 -149.4250 -123.3564 760378.8188 7.4212 7.5482 LDB: ============= START OF LOAD BALANCING ============== 339.626 LDB: ============== END OF LOAD BALANCING =============== 339.626 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 339.627 LDB: ============= START OF LOAD BALANCING ============== 339.942 LDB: Largest compute 7045 load 0.033015 is 16.9% of average load 0.195540 LDB: Average compute 0.004374 is 2.2% of average load 0.195540 LDB: TIME 339.945 LOAD: AVG 0.19554 MAX 0.217371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.211 MB LDB: TIME 339.946 LOAD: AVG 0.19554 MAX 0.217371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.211 MB LDB: TIME 339.946 LOAD: AVG 0.19554 MAX 0.217371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 339.948 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 339.953 PRESSURE: 104400 96.9169 -137.931 123.23 -137.932 -89.4842 -28.3409 123.23 -28.3408 60.0759 GPRESSURE: 104400 160.408 -94.3009 152.4 -161.858 -61.6828 26.9569 109.707 24.4982 55.3131 PRESSAVG: 104400 30.0627 12.5921 82.0734 12.5921 -17.7948 47.299 82.0734 47.299 -18.1277 GPRESSAVG: 104400 29.8799 11.1177 81.9104 13.4498 -17.2451 48.0374 78.9002 48.3468 -18.8576 TIMING: 104400 CPU: 327.87, 0.00321455/step Wall: 327.87, 0.00321455/step, 4.37143 hours remaining, 232.269531 MB of memory in use. ENERGY: 104400 4044.5858 20539.8418 14553.3247 248.7587 -203663.2133 2928.2186 0.0000 0.0000 51955.9163 -109392.5674 298.5914 -161348.4836 -109031.2334 298.8314 22.5028 51.3462 759570.8220 -1.9533 -2.0743 PRESSURE: 104600 160.127 127.607 142.222 127.607 238.798 127.416 142.222 127.416 337.107 GPRESSURE: 104600 169.763 141.222 137.301 86.9957 233.3 67.6402 146.861 9.87252 422.855 PRESSAVG: 104600 24.2498 22.4379 36.0109 22.4379 -8.87259 35.8803 36.0109 35.8803 1.62561 GPRESSAVG: 104600 24.1328 25.0661 37.2434 21.8379 -9.24053 36.2747 38.838 34.9223 2.39536 TIMING: 104600 CPU: 328.498, 0.00313937/step Wall: 328.498, 0.00313937/step, 4.26902 hours remaining, 232.636719 MB of memory in use. ENERGY: 104600 3908.5863 20470.1885 14504.7770 247.1931 -203348.1347 2606.4259 0.0000 0.0000 52297.3749 -109313.5890 300.5537 -161610.9639 -108936.5636 298.8961 245.3442 275.3063 758809.8040 5.6676 5.7626 PRESSURE: 104800 -67.7073 42.8768 -34.9306 42.8754 -318.486 -36.9201 -34.9306 -36.9208 118.188 GPRESSURE: 104800 -94.6541 30.7901 -59.6047 -107.294 -244.514 -61.1621 -23.5306 3.78067 154.601 PRESSAVG: 104800 -3.3597 33.3925 64.4064 33.3925 25.1125 40.118 64.4063 40.118 -7.71563 GPRESSAVG: 104800 -4.15726 34.4884 64.3494 33.0406 25.9291 39.5839 63.8366 39.1363 -8.07164 TIMING: 104800 CPU: 329.127, 0.00314812/step Wall: 329.127, 0.00314812/step, 4.28074 hours remaining, 232.625000 MB of memory in use. ENERGY: 104800 3938.1262 20522.2927 14527.4222 221.3911 -203041.7594 2362.5205 0.0000 0.0000 52029.5235 -109440.4832 299.0144 -161470.0067 -109080.9486 299.4122 -89.3352 -61.5222 762047.8986 4.6791 4.5667 PRESSURE: 105000 -44.0883 128.332 221.324 128.332 -113.526 -41.5508 221.324 -41.5514 303.306 GPRESSURE: 105000 -24.3486 56.0829 236.428 202.055 -111.293 20.7898 219.79 86.2738 349.491 PRESSAVG: 105000 13.392 51.5392 85.9282 51.5392 14.9118 37.2987 85.9282 37.2987 8.77197 GPRESSAVG: 105000 13.8157 50.2107 85.6603 52.0901 13.9089 37.0858 87.6802 38.5725 9.06986 TIMING: 105000 CPU: 329.756, 0.00314588/step Wall: 329.756, 0.00314588/step, 4.27752 hours remaining, 232.625000 MB of memory in use. ENERGY: 105000 3974.2761 20405.5282 14545.9444 237.6450 -203295.1468 2623.4771 0.0000 0.0000 51954.0653 -109554.2107 298.5807 -161508.2760 -109191.8847 298.7526 48.5640 71.2831 760877.6235 12.3586 12.2648 PRESSURE: 105200 21.6673 -20.0581 -6.36404 -20.0582 170.898 79.2454 -6.36328 79.2465 435.563 GPRESSURE: 105200 157.144 -68.1507 41.5139 38.6448 97.9719 54.5219 -34.162 155.164 431.572 PRESSAVG: 105200 24.2095 35.2062 42.7828 35.2062 -33.1946 21.2931 42.7828 21.293 -15.8606 GPRESSAVG: 105200 24.1252 35.6605 42.9119 36.0124 -33.0025 22.9775 40.4272 19.456 -16.2877 TIMING: 105200 CPU: 330.385, 0.00314017/step Wall: 330.385, 0.00314017/step, 4.26959 hours remaining, 232.625000 MB of memory in use. ENERGY: 105200 3877.8035 20437.2940 14589.9738 261.3907 -203271.5760 2629.8275 0.0000 0.0000 52038.4996 -109436.7869 299.0660 -161475.2865 -109077.0192 298.9893 209.3761 228.8962 760948.6952 -8.2819 -8.3883 PRESSURE: 105400 197.343 -84.1963 -127.936 -84.1966 44.72 -14.7073 -127.937 -14.7083 230.055 GPRESSURE: 105400 224.633 -86.1268 -101.488 -32.6906 105.708 -22.0529 -241.353 -75.1331 236.062 PRESSAVG: 105400 -24.5982 -36.5325 16.7128 -36.5325 -20.116 48.8554 16.7128 48.8555 -22.0445 GPRESSAVG: 105400 -23.6314 -35.6018 16.9084 -38.5419 -20.8398 46.958 17.1825 51.1227 -22.0269 TIMING: 105400 CPU: 331.017, 0.00316368/step Wall: 331.017, 0.00316368/step, 4.30137 hours remaining, 232.625000 MB of memory in use. ENERGY: 105400 3858.5231 20419.8917 14509.0962 266.9794 -203497.8967 2704.2088 0.0000 0.0000 52277.6956 -109461.5018 300.4406 -161739.1974 -109094.0746 299.1902 157.3725 188.8011 760608.1908 -22.2529 -22.1660 PRESSURE: 105600 39.6606 32.6989 9.35632 32.6985 93.7411 218.444 9.35642 218.445 290.969 GPRESSURE: 105600 41.2039 10.2536 88.8521 60.554 173.143 163.365 32.2088 157.278 288.832 PRESSAVG: 105600 -10.2978 -45.5096 -7.75266 -45.5096 0.300764 57.211 -7.7527 57.211 30.1617 GPRESSAVG: 105600 -12.7032 -47.4593 -7.34982 -45.3688 2.26841 58.4762 -8.51772 56.2947 30.8565 TIMING: 105600 CPU: 331.65, 0.00316617/step Wall: 331.65, 0.00316617/step, 4.30459 hours remaining, 232.625000 MB of memory in use. ENERGY: 105600 3986.7232 20468.5794 14465.1703 255.6949 -203023.9662 2507.6213 0.0000 0.0000 52059.3755 -109280.8016 299.1859 -161340.1771 -108926.7884 298.4182 141.4569 167.7263 762633.2700 6.7216 6.8072 PRESSURE: 105800 -133.446 -2.21755 190.78 -2.21705 -181.638 79.837 190.779 79.837 129.566 GPRESSURE: 105800 -80.0905 5.22658 159.213 -107.153 -115.362 46.7781 216.934 108.986 102.849 PRESSAVG: 105800 -3.4143 -15.8488 20.3787 -15.8488 6.93627 11.374 20.3788 11.374 4.09359 GPRESSAVG: 105800 -2.86826 -14.8495 18.3561 -14.4724 6.40443 10.7345 21.7709 10.3918 3.81097 TIMING: 105800 CPU: 332.28, 0.00314791/step Wall: 332.28, 0.00314791/step, 4.27958 hours remaining, 232.625000 MB of memory in use. ENERGY: 105800 3929.3563 20208.3220 14565.7034 238.6172 -203039.0621 2416.9523 0.0000 0.0000 52054.8587 -109625.2523 299.1600 -161680.1109 -109260.4883 298.8061 -61.8393 -30.8677 760424.1492 2.5385 2.4490 PRESSURE: 106000 -142.433 -27.4577 254.349 -27.4566 -168.607 -153.2 254.349 -153.199 284.659 GPRESSURE: 106000 -128.048 -43.3634 200.969 -62.8483 -74.1798 -257.915 177.819 -207.644 268.499 PRESSAVG: 106000 -1.45311 -52.2856 -1.44496 -52.2855 4.28069 5.18545 -1.44501 5.18549 9.08516 GPRESSAVG: 106000 -1.43259 -53.4328 -2.02573 -51.1457 4.89786 5.81252 -1.41548 6.51468 8.37207 TIMING: 106000 CPU: 332.909, 0.00314679/step Wall: 332.909, 0.00314679/step, 4.27789 hours remaining, 232.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 106000 4005.1245 20231.7573 14518.1771 227.2477 -203175.8661 2626.7174 0.0000 0.0000 51863.9372 -109702.9049 298.0628 -161566.8421 -109339.3441 298.2084 -8.7937 22.0905 760883.8308 3.9709 3.9458 PRESSURE: 106200 -227.535 64.0834 -61.279 64.0834 2.57732 -392.228 -61.2784 -392.228 -319.39 GPRESSURE: 106200 -143.892 9.34919 -43.1014 30.4435 -37.4026 -387.084 -51.4991 -300.292 -275.767 PRESSAVG: 106200 -58.5664 -45.1916 8.17253 -45.1916 54.4337 26.8027 8.17258 26.8027 -3.33903 GPRESSAVG: 106200 -58.6245 -44.9019 9.78648 -46.146 52.7376 25.8316 10.6915 26.7256 -2.20873 TIMING: 106200 CPU: 333.536, 0.00313522/step Wall: 333.536, 0.00313522/step, 4.26199 hours remaining, 232.625000 MB of memory in use. ENERGY: 106200 3945.1768 20249.5874 14455.0596 243.9951 -203038.8723 2154.1490 0.0000 0.0000 52096.2003 -109894.7042 299.3976 -161990.9045 -109531.7628 298.0365 -181.4493 -152.3539 760634.9498 -2.4905 -2.6985 PRESSURE: 106400 -61.652 -28.5532 -210.286 -28.5537 150.611 36.0502 -210.285 36.0508 -51.7942 GPRESSURE: 106400 -8.38945 23.1442 -255.468 -113.865 145.593 15.816 -289.666 45.6036 -29.0629 PRESSAVG: 106400 -1.95607 27.3157 -26.3044 27.3157 66.4789 -9.64191 -26.3044 -9.64202 17.154 GPRESSAVG: 106400 -2.64044 25.6058 -24.9715 27.9865 66.5953 -9.46598 -28.7206 -9.71301 17.3631 TIMING: 106400 CPU: 334.17, 0.00316813/step Wall: 334.17, 0.00316813/step, 4.30654 hours remaining, 232.625000 MB of memory in use. ENERGY: 106400 3930.5162 20479.1614 14546.9869 246.7399 -203350.1312 2512.0090 0.0000 0.0000 51941.2341 -109693.4837 298.5070 -161634.7178 -109346.2401 298.5981 12.3882 36.0469 758567.6521 27.2256 27.1060 PRESSURE: 106600 -149.574 67.779 74.9509 67.7797 60.9084 102.457 74.9505 102.456 -53.6986 GPRESSURE: 106600 -168.91 75.4028 77.8727 32.2297 128.805 116.191 44.2345 82.9684 -26.6627 PRESSAVG: 106600 4.17626 44.6182 9.14065 44.6182 8.62634 -21.2552 9.14062 -21.2551 3.55068 GPRESSAVG: 106600 5.51666 46.4514 9.28755 45.174 8.38577 -20.4716 8.6074 -20.4365 2.80439 TIMING: 106600 CPU: 334.8, 0.00315109/step Wall: 334.8, 0.00315109/step, 4.28321 hours remaining, 232.691406 MB of memory in use. ENERGY: 106600 3938.6642 20478.3764 14628.8219 248.7242 -203146.8273 2387.7554 0.0000 0.0000 51807.4828 -109657.0024 297.7383 -161464.4852 -109300.1517 298.6090 -47.4549 -22.2559 759274.3030 5.4511 5.5689 PRESSURE: 106800 23.6492 129.329 13.5423 129.329 171.411 -209.209 13.542 -209.208 59.8871 GPRESSURE: 106800 70.4027 61.1863 11.9956 132.013 238.532 -182.791 -44.1874 -240.383 40.6639 PRESSAVG: 106800 -41.2154 11.4395 -9.62036 11.4395 36.3232 -24.4576 -9.62041 -24.4575 29.8062 GPRESSAVG: 106800 -42.4264 9.67718 -10.9703 12.3702 36.5188 -25.6773 -9.49434 -27.788 30.3911 TIMING: 106800 CPU: 335.433, 0.0031646/step Wall: 335.433, 0.0031646/step, 4.3014 hours remaining, 232.691406 MB of memory in use. ENERGY: 106800 3954.5289 20425.0160 14560.1444 251.6100 -203076.9516 2577.9035 0.0000 0.0000 51773.8674 -109533.8814 297.5451 -161307.7488 -109186.3950 298.6141 84.9825 116.5327 758500.8913 8.3047 8.1612 PRESSURE: 107000 -161.655 -135.268 255.348 -135.268 311.154 123.865 255.348 123.866 336.886 GPRESSURE: 107000 -58.8661 -193.255 287.07 -55.8547 339.494 62.8393 265.25 112.811 291.394 PRESSAVG: 107000 -50.8705 42.9031 -3.86611 42.903 43.9258 -23.7034 -3.86614 -23.7033 -20.8586 GPRESSAVG: 107000 -51.1308 44.1598 -2.36682 41.1722 43.4866 -22.6648 -2.83747 -23.6025 -20.227 TIMING: 107000 CPU: 336.07, 0.00318399/step Wall: 336.07, 0.00318399/step, 4.32757 hours remaining, 232.691406 MB of memory in use. ENERGY: 107000 4011.3705 20449.1373 14519.3724 262.1842 -202948.7757 2197.3188 0.0000 0.0000 52067.1970 -109442.1954 299.2309 -161509.3924 -109082.0148 299.2107 162.1283 190.6738 759796.4039 -9.2678 -9.2904 PRESSURE: 107200 39.9122 80.1011 -243.848 80.1023 -108.972 -7.15418 -243.847 -7.15447 -103.695 GPRESSURE: 107200 116.613 68.9614 -261.367 68.5413 -91.5561 11.8855 -124.001 -14.5512 -112.691 PRESSAVG: 107200 -7.57231 29.374 -47.3363 29.3739 23.5976 -0.157991 -47.3362 -0.15798 -3.90451 GPRESSAVG: 107200 -6.14248 27.5789 -48.4907 31.2084 24.9535 0.0173856 -45.9956 -0.113214 -6.07439 TIMING: 107200 CPU: 336.698, 0.00314145/step Wall: 336.698, 0.00314145/step, 4.26957 hours remaining, 232.691406 MB of memory in use. ENERGY: 107200 3982.2897 20337.2863 14545.7988 260.8329 -203407.0727 2711.2504 0.0000 0.0000 52247.4643 -109322.1503 300.2669 -161569.6146 -108959.5624 299.6504 -57.5849 -29.2116 761717.0940 4.0403 4.2455 PRESSURE: 107400 338.654 -39.6974 41.48 -39.6976 113.893 29.9623 41.4799 29.9615 168.036 GPRESSURE: 107400 239.047 -169.668 117.573 -87.953 215.051 9.13349 22.6275 -0.566771 255.962 PRESSAVG: 107400 -8.36748 -18.8712 9.92814 -18.8712 -22.8678 -9.8848 9.92809 -9.88472 6.23735 GPRESSAVG: 107400 -8.70283 -17.6245 11.0703 -20.4301 -23.0725 -10.6145 8.33094 -8.27778 6.9308 TIMING: 107400 CPU: 337.327, 0.00314149/step Wall: 337.327, 0.00314149/step, 4.26945 hours remaining, 232.691406 MB of memory in use. ENERGY: 107400 3998.9896 20285.2228 14518.6447 242.6005 -203424.3048 2781.8499 0.0000 0.0000 52196.6301 -109400.3672 299.9748 -161596.9973 -109032.5881 299.7878 206.8612 236.6863 760744.6326 -8.3326 -8.2815 PRESSURE: 107600 96.3567 246.158 29.1417 246.159 101.062 -96.1562 29.1427 -96.1559 -270.069 GPRESSURE: 107600 125.227 128.398 114.203 244.093 100.548 -193.328 9.33073 -44.4851 -221.472 PRESSAVG: 107600 -36.4091 36.4606 -31.5468 36.4606 58.5984 -44.1514 -31.5467 -44.1514 16.6277 GPRESSAVG: 107600 -37.2907 37.1883 -31.7802 34.4227 57.3198 -44.0034 -30.3132 -44.5449 18.2618 TIMING: 107600 CPU: 337.954, 0.00313542/step Wall: 337.954, 0.00313542/step, 4.26103 hours remaining, 232.691406 MB of memory in use. ENERGY: 107600 3946.9476 20383.5184 14452.2838 227.4613 -203251.4995 2650.1800 0.0000 0.0000 52231.6186 -109359.4899 300.1758 -161591.1085 -108986.8135 299.4895 -24.2166 1.4344 762771.4143 12.9390 12.7636 PRESSURE: 107800 449.03 -65.2222 63.2833 -65.2223 492.521 -50.9046 63.2822 -50.9048 217.246 GPRESSURE: 107800 418.163 -23.9789 118.78 20.479 552.015 -80.4308 112.92 -113.743 275.871 PRESSAVG: 107800 -27.728 9.8529 -12.0059 9.85288 55.7574 -1.44752 -12.0059 -1.44756 -2.55462 GPRESSAVG: 107800 -28.3666 8.36993 -13.0379 13.6616 56.1222 -2.50886 -11.7777 -1.80981 -2.91944 TIMING: 107800 CPU: 338.585, 0.00315588/step Wall: 338.585, 0.00315588/step, 4.28866 hours remaining, 232.691406 MB of memory in use. ENERGY: 107800 3941.3558 20206.2028 14569.0790 245.3784 -203361.3668 2786.0723 0.0000 0.0000 52067.1784 -109546.1000 299.2308 -161613.2784 -109190.0463 299.6501 386.2656 415.3495 759394.8519 8.4916 8.2787 PRESSURE: 108000 351.437 204.738 102.972 204.738 13.2137 -20.4729 102.972 -20.4711 151.074 GPRESSURE: 108000 378.487 139.307 198.663 186.054 58.3157 -33.3382 -61.7532 -96.7405 148.613 PRESSAVG: 108000 3.41575 -3.66793 52.232 -3.66797 -12.1273 64.698 52.2321 64.698 2.0336 GPRESSAVG: 108000 4.64296 -3.09518 52.7364 -5.49646 -12.0346 66.9944 51.2896 61.9283 0.350456 TIMING: 108000 CPU: 339.215, 0.00315198/step Wall: 339.215, 0.00315198/step, 4.28319 hours remaining, 232.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 108000 4024.7690 20430.9801 14578.3458 242.7301 -203251.9746 2459.1632 0.0000 0.0000 52053.6256 -109462.3608 299.1529 -161515.9864 -109110.0305 298.8133 171.9083 195.1386 760626.7892 -2.2260 -2.3471 PRESSURE: 108200 -249.826 -261.66 74.8934 -261.661 -114.866 -142.643 74.8931 -142.643 72.4485 GPRESSURE: 108200 -157.808 -199.716 12.1646 -205.325 -85.7662 -224.581 38.8612 71.8418 47.3065 PRESSAVG: 108200 -9.65844 -23.7359 23.5246 -23.7359 -18.434 13.2064 23.5246 13.2063 11.0875 GPRESSAVG: 108200 -8.59692 -21.434 23.918 -24.5231 -19.1396 12.8393 22.9744 15.3116 11.0465 TIMING: 108200 CPU: 339.841, 0.0031302/step Wall: 339.841, 0.0031302/step, 4.25341 hours remaining, 232.691406 MB of memory in use. ENERGY: 108200 4047.2336 20446.8997 14472.8270 243.8426 -203462.3606 2735.3756 0.0000 0.0000 51892.7279 -109623.4544 298.2282 -161516.1822 -109246.1365 298.8032 -97.4144 -65.4225 761707.0319 -5.6683 -5.5633 LDB: ============= START OF LOAD BALANCING ============== 352.24 LDB: ============== END OF LOAD BALANCING =============== 352.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 352.241 LDB: ============= START OF LOAD BALANCING ============== 352.557 LDB: Largest compute 7075 load 0.032665 is 16.7% of average load 0.195501 LDB: Average compute 0.004372 is 2.2% of average load 0.195501 LDB: TIME 352.561 LOAD: AVG 0.195501 MAX 0.22153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.008 MB LDB: TIME 352.562 LOAD: AVG 0.195501 MAX 0.22153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.008 MB LDB: TIME 352.562 LOAD: AVG 0.195501 MAX 0.218862 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.008 MB LDB: ============== END OF LOAD BALANCING =============== 352.564 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 352.569 PRESSURE: 108400 -291.79 50.9257 154.136 50.9257 -196.366 -419.446 154.137 -419.446 43.6042 GPRESSURE: 108400 -308.17 23.2238 20.7089 -29.9818 -91.6181 -445.981 134.34 -389.398 15.2297 PRESSAVG: 108400 -39.2967 3.91544 -15.2992 3.91548 41.9157 -27.0779 -15.2992 -27.0778 12.2393 GPRESSAVG: 108400 -40.4355 1.67886 -16.8124 4.28458 42.8732 -28.8686 -14.6834 -25.7308 11.9762 TIMING: 108400 CPU: 340.486, 0.00322295/step Wall: 340.486, 0.00322295/step, 4.37928 hours remaining, 232.519531 MB of memory in use. ENERGY: 108400 3984.3269 20412.6914 14550.3527 236.0177 -203068.9714 2465.4839 0.0000 0.0000 51878.8155 -109541.2834 298.1483 -161420.0989 -109176.3634 298.7209 -148.1840 -128.1862 761705.8585 4.9528 4.8046 PRESSURE: 108600 236.613 -158.613 184.514 -158.612 -168.767 120.283 184.514 120.282 372.155 GPRESSURE: 108600 174.865 -127.069 178.716 -226.696 -23.574 228.81 166.189 165.898 389.974 PRESSAVG: 108600 -48.342 -34.3492 8.80912 -34.3493 46.8703 -10.0754 8.80913 -10.0754 0.656744 GPRESSAVG: 108600 -48.7744 -31.6636 11.2795 -35.0827 46.9657 -8.59628 8.9311 -10.4174 0.959056 TIMING: 108600 CPU: 341.117, 0.00315553/step Wall: 341.117, 0.00315553/step, 4.28749 hours remaining, 232.519531 MB of memory in use. ENERGY: 108600 3987.9579 20406.6983 14475.9560 246.5162 -203389.8967 2745.0732 0.0000 0.0000 51829.1692 -109698.5260 297.8629 -161527.6952 -109332.6161 298.4711 146.6668 180.4218 760804.9079 -0.2716 -0.2832 PRESSURE: 108800 -245.227 260.399 84.2968 260.4 43.4294 66.6059 84.2963 66.6064 -253.728 GPRESSURE: 108800 -124.141 275.57 88.1372 170.557 -10.2848 -34.3983 67.0459 -8.96412 -244.498 PRESSAVG: 108800 18.9147 11.2271 61.6245 11.2271 -1.5237 -47.014 61.6244 -47.0141 -16.0184 GPRESSAVG: 108800 20.1093 7.6677 60.6649 12.7814 -3.89336 -47.5156 62.2339 -47.0705 -14.5448 TIMING: 108800 CPU: 341.746, 0.00314717/step Wall: 341.746, 0.00314717/step, 4.27595 hours remaining, 232.519531 MB of memory in use. ENERGY: 108800 4011.7891 20485.3193 14489.4264 249.8102 -203219.2706 2579.2783 0.0000 0.0000 51949.0922 -109454.5552 298.5521 -161403.6474 -109100.4220 298.8053 -151.8419 -126.3080 762396.0089 0.4575 0.5570 PRESSURE: 109000 33.4455 86.9229 5.04824 86.9217 -147.292 40.931 5.04835 40.9311 -193.575 GPRESSURE: 109000 41.3317 118.164 20.0474 134.737 -102.039 37.857 167.134 13.7994 -147.41 PRESSAVG: 109000 -40.2449 11.564 33.8578 11.5639 16.7699 6.51306 33.8578 6.51301 -26.1663 GPRESSAVG: 109000 -40.7923 15.4862 32.021 10.7682 17.3784 6.47162 31.3065 4.67969 -26.4087 TIMING: 109000 CPU: 342.375, 0.00314356/step Wall: 342.375, 0.00314356/step, 4.27088 hours remaining, 232.519531 MB of memory in use. ENERGY: 109000 3901.2740 20418.0927 14567.9799 225.4025 -203279.2352 2561.8274 0.0000 0.0000 52153.9153 -109450.7434 299.7293 -161604.6587 -109076.5122 298.9369 -102.4739 -69.3724 760642.6463 -16.5471 -16.6075 PRESSURE: 109200 -128.984 52.0241 -89.1359 52.0245 -104.001 93.1871 -89.1368 93.1865 606.49 GPRESSURE: 109200 -34.0577 19.5348 -69.6985 24.0661 43.2506 93.2088 -66.5324 151.47 456.373 PRESSAVG: 109200 -40.9281 18.5621 -10.666 18.5621 35.9963 42.2055 -10.666 42.2054 21.881 GPRESSAVG: 109200 -40.7484 14.7922 -9.71771 18.8807 37.7033 42.1417 -6.48058 44.3591 20.3945 TIMING: 109200 CPU: 343.006, 0.00315302/step Wall: 343.006, 0.00315302/step, 4.28355 hours remaining, 232.519531 MB of memory in use. ENERGY: 109200 3905.6672 20520.0941 14494.1759 255.4146 -203085.7506 2428.1699 0.0000 0.0000 52001.7324 -109480.4965 298.8547 -161482.2289 -109128.4313 299.6825 124.5017 155.1887 760725.6151 5.6497 5.7832 PRESSURE: 109400 -127.512 249.698 30.8358 249.698 -273.174 26.7075 30.8356 26.7069 135.39 GPRESSURE: 109400 -106.496 240 97.9801 130.566 -229.347 16.6744 68.3748 -12.5797 150.122 PRESSAVG: 109400 40.7334 70.9224 59.0661 70.9224 -11.6789 -7.69119 59.0662 -7.69115 24.8844 GPRESSAVG: 109400 39.8956 72.0697 59.1955 70.8382 -11.2061 -7.07462 56.6484 -8.74345 24.7163 TIMING: 109400 CPU: 343.636, 0.00315349/step Wall: 343.636, 0.00315349/step, 4.28402 hours remaining, 232.519531 MB of memory in use. ENERGY: 109400 3944.3996 20472.8931 14509.1237 263.4856 -203320.3162 2644.7763 0.0000 0.0000 52281.1097 -109204.5282 300.4603 -161485.6379 -108843.9828 299.5535 -88.4320 -61.9071 760498.0849 17.9796 17.8019 PRESSURE: 109600 76.7073 72.8281 -63.033 72.8285 364.654 284.07 -63.0335 284.07 396.275 GPRESSURE: 109600 139.293 99.413 11.2344 86.4474 443.395 207.661 -91.3064 281.673 348.754 PRESSAVG: 109600 -25.2591 47.7381 53.226 47.7381 47.6213 11.4965 53.2259 11.4964 -9.68999 GPRESSAVG: 109600 -24.1782 49.1813 52.488 48.1047 47.2687 11.9591 52.5699 12.0403 -10.2192 TIMING: 109600 CPU: 344.268, 0.00315618/step Wall: 344.268, 0.00315618/step, 4.28749 hours remaining, 232.519531 MB of memory in use. ENERGY: 109600 4012.9381 20425.3699 14487.9224 248.7245 -203186.7501 2615.8506 0.0000 0.0000 52165.7915 -109230.1531 299.7975 -161395.9446 -108867.0063 300.0525 279.2120 310.4804 761037.7408 4.2241 4.2904 PRESSURE: 109800 152.093 -68.5939 181.262 -68.593 -97.6727 -9.23659 181.263 -9.23533 -327.555 GPRESSURE: 109800 166.754 -121.46 81.6761 8.11621 -108.452 8.69488 231.794 -150.023 -245.047 PRESSAVG: 109800 -44.4028 27.44 20.3827 27.4401 51.6428 -5.74233 20.3828 -5.74236 22.6094 GPRESSAVG: 109800 -45.6792 26.6025 20.4084 29.3509 51.3123 -7.3401 21.5062 -7.27018 24.1956 TIMING: 109800 CPU: 344.898, 0.00315184/step Wall: 344.898, 0.00315184/step, 4.28142 hours remaining, 232.519531 MB of memory in use. ENERGY: 109800 3996.4259 20480.1881 14530.8453 248.6050 -203276.0040 2538.3399 0.0000 0.0000 52151.9867 -109329.6131 299.7182 -161481.5998 -108967.9387 299.0737 -91.0452 -62.2484 761238.5217 9.9498 9.9429 PRESSURE: 110000 -424.145 67.4191 67.6274 67.4191 -27.9813 14.6943 67.6274 14.694 -246.187 GPRESSURE: 110000 -310.129 116.982 15.7572 223.539 -139.503 9.71339 73.5712 55.95 -153.935 PRESSAVG: 110000 -19.3495 36.3266 11.9452 36.3266 -5.84989 17.5846 11.9451 17.5846 3.02764 GPRESSAVG: 110000 -17.7633 36.3622 13.3892 34.0403 -7.28338 19.4277 9.87376 17.9843 2.93483 TIMING: 110000 CPU: 345.532, 0.00316737/step Wall: 345.532, 0.00316737/step, 4.30234 hours remaining, 232.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 110000 3996.4958 20442.0352 14544.0312 234.1832 -202783.8450 2318.7472 0.0000 0.0000 52055.0058 -109193.3468 299.1608 -161248.3525 -108832.5695 299.0131 -232.7710 -201.1891 762059.2924 -7.3906 -7.3706 PRESSURE: 110200 -408.22 -229.699 -88.2065 -229.699 -101.513 -114.431 -88.2064 -114.431 -16.3565 GPRESSURE: 110200 -400.488 -195.142 -121.693 -182.748 -21.6934 -155.288 -263.192 -3.82087 -6.9001 PRESSAVG: 110200 21.2842 65.7735 -35.394 65.7734 4.1989 -22.5526 -35.3941 -22.5526 7.35593 GPRESSAVG: 110200 20.9157 64.4361 -35.5966 66.4383 4.18795 -23.2081 -35.1231 -22.6655 8.05271 TIMING: 110200 CPU: 346.161, 0.00314754/step Wall: 346.161, 0.00314754/step, 4.27524 hours remaining, 232.519531 MB of memory in use. ENERGY: 110200 3973.9606 20543.0598 14499.4165 253.6979 -202572.0410 2139.2874 0.0000 0.0000 51967.4105 -109195.2084 298.6574 -161162.6188 -108838.1898 299.2558 -175.3631 -143.0270 762114.9045 10.9463 11.0521 PRESSURE: 110400 28.6777 54.8976 214.356 54.8978 340.409 90.3694 214.356 90.3695 -495.405 GPRESSURE: 110400 128.987 49.6604 154.299 96.1339 388.486 86.5141 99.8919 101.972 -557.591 PRESSAVG: 110400 -83.3517 36.2744 -51.1309 36.2745 37.5733 -2.61783 -51.1309 -2.61787 3.80054 GPRESSAVG: 110400 -84.3094 36.6491 -52.0301 37.7133 39.182 -4.0991 -50.4423 -0.318208 3.57488 TIMING: 110400 CPU: 346.79, 0.00314547/step Wall: 346.79, 0.00314547/step, 4.27225 hours remaining, 232.519531 MB of memory in use. ENERGY: 110400 3962.9205 20475.6368 14432.8952 220.1123 -203126.1930 2453.5204 0.0000 0.0000 52337.5419 -109243.5658 300.7846 -161581.1077 -108873.6785 299.6204 -42.1062 -13.3726 760110.5410 -13.9926 -13.8508 PRESSURE: 110600 183.197 74.842 -0.0814217 74.8409 34.3453 -28.9059 -0.0808442 -28.9075 117.295 GPRESSURE: 110600 189.796 -1.94103 40.9001 76.8985 125.08 -11.0585 53.1333 -84.7604 113.934 PRESSAVG: 110600 -17.9562 37.5583 28.1069 37.5583 64.1313 8.58416 28.1068 8.58414 -13.2016 GPRESSAVG: 110600 -17.0059 37.2753 28.122 36.1105 63.2904 9.66697 27.2272 6.80868 -13.0321 TIMING: 110600 CPU: 347.418, 0.00313953/step Wall: 347.418, 0.00313953/step, 4.26401 hours remaining, 232.519531 MB of memory in use. ENERGY: 110600 3981.2077 20552.3984 14529.9257 236.6004 -203268.5922 2574.4965 0.0000 0.0000 52062.0024 -109331.9612 299.2010 -161393.9636 -108970.5883 299.4969 111.6125 142.9369 759973.6469 10.9912 11.0841 PRESSURE: 110800 -277.288 -55.253 116.176 -55.2536 -292.419 -74.0181 116.176 -74.0178 -280.132 GPRESSURE: 110800 -158.091 5.35034 1.18492 -18.9347 -234.016 -17.9619 69.4777 -181.816 -375.397 PRESSAVG: 110800 2.81551 22.6995 -1.23697 22.6995 -4.79331 -44.1144 -1.23697 -44.1144 13.828 GPRESSAVG: 110800 3.64319 23.3889 -2.05463 22.4474 -3.7671 -43.6073 0.981404 -43.2253 12.3124 TIMING: 110800 CPU: 348.05, 0.00316041/step Wall: 348.05, 0.00316041/step, 4.29219 hours remaining, 232.519531 MB of memory in use. ENERGY: 110800 3958.4448 20500.6997 14515.3167 258.3589 -203590.3932 2902.0879 0.0000 0.0000 52075.0996 -109380.3856 299.2763 -161455.4853 -109015.3781 299.7641 -283.2797 -255.8349 761010.7149 3.9501 4.0628 PRESSURE: 111000 -68.8137 60.2491 1.47788 60.2491 -50.7886 -39.4042 1.47775 -39.4042 -60.6433 GPRESSURE: 111000 -7.24066 101.785 -121.3 22.2863 -71.7366 -20.4548 -8.89207 -89.616 -1.82155 PRESSAVG: 111000 -34.0136 6.70528 27.9174 6.7052 -8.86456 -45.1635 27.9174 -45.1634 19.2833 GPRESSAVG: 111000 -34.7292 8.43279 27.0746 7.27217 -9.08394 -46.5468 25.9752 -45.6115 20.4292 TIMING: 111000 CPU: 348.681, 0.00315266/step Wall: 348.681, 0.00315266/step, 4.28149 hours remaining, 232.519531 MB of memory in use. ENERGY: 111000 3896.7335 20366.0446 14501.5209 260.1400 -202986.8840 2569.7476 0.0000 0.0000 52174.2445 -109218.4530 299.8461 -161392.6975 -108850.6698 299.4215 -60.0819 -26.9329 760626.3479 -7.8650 -7.7947 PRESSURE: 111200 235.17 45.7223 38.3431 45.7216 -233.086 -132.319 38.343 -132.32 189.57 GPRESSURE: 111200 169.847 -47.1707 74.2041 53.2353 -155.704 -82.8432 135.852 -153.451 245.573 PRESSAVG: 111200 -29.6771 33.869 -34.9734 33.8691 15.1637 -24.4255 -34.9735 -24.4254 -1.49426 GPRESSAVG: 111200 -29.9048 29.8085 -33.6623 34.0767 15.2685 -25.6978 -34.3737 -22.8832 -1.0408 TIMING: 111200 CPU: 349.315, 0.00317324/step Wall: 349.315, 0.00317324/step, 4.30926 hours remaining, 232.519531 MB of memory in use. ENERGY: 111200 3971.0409 20533.4965 14559.5930 256.0271 -203588.1261 2837.3238 0.0000 0.0000 52192.6240 -109238.0207 299.9517 -161430.6448 -108884.4925 299.0609 63.8850 86.5719 758846.8393 -5.3359 -5.2257 PRESSURE: 111400 25.992 -47.6822 142.626 -47.6836 -316.486 245.256 142.626 245.257 -39.6407 GPRESSURE: 111400 111.961 -30.3179 116.052 3.29845 -279.144 199.504 -26.0687 267.804 -88.8023 PRESSAVG: 111400 42.928 -4.18358 -17.106 -4.18365 -25.0576 -42.363 -17.1061 -42.363 -27.8557 GPRESSAVG: 111400 43.9021 -1.92115 -18.0132 -4.36388 -25.3202 -43.4282 -17.832 -43.3242 -28.6554 TIMING: 111400 CPU: 349.947, 0.00315882/step Wall: 349.947, 0.00315882/step, 4.2895 hours remaining, 232.519531 MB of memory in use. ENERGY: 111400 3964.4591 20515.5583 14549.8180 263.2841 -203001.7502 2284.1734 0.0000 0.0000 52116.6395 -109307.8178 299.5150 -161424.4573 -108930.5213 299.4135 -110.0448 -85.3284 760389.5418 -3.3284 -3.3578 PRESSURE: 111600 374.739 -126.457 75.2352 -126.457 218.736 -83.4771 75.2348 -83.478 76.2857 GPRESSURE: 111600 347.541 -195.267 87.7077 -92.6753 194.338 -81.0385 19.5909 -16.6828 214.372 PRESSAVG: 111600 16.1923 -0.254297 -29.5648 -0.254217 6.50009 -42.4286 -29.5647 -42.4287 21.7043 GPRESSAVG: 111600 15.0128 -2.6871 -27.7436 -0.391577 6.41957 -39.3972 -29.8473 -44.4486 22.9172 TIMING: 111600 CPU: 350.576, 0.00314279/step Wall: 350.576, 0.00314279/step, 4.26756 hours remaining, 232.519531 MB of memory in use. ENERGY: 111600 3948.0622 20642.2219 14506.8739 247.7035 -203131.1398 2407.9727 0.0000 0.0000 52371.5900 -109006.7156 300.9802 -161378.3056 -108648.1598 300.3950 223.2538 252.0835 759868.2256 14.7989 14.7832 PRESSURE: 111800 -185.537 -100.761 211.876 -100.76 -56.7457 -22.5092 211.876 -22.5085 -200.908 GPRESSURE: 111800 -134.501 -43.5115 176.889 -77.6181 -1.49574 -46.7481 281.685 15.8061 -223.976 PRESSAVG: 111800 1.71633 -13.2254 33.9346 -13.2254 34.5234 -44.3594 33.9347 -44.3594 -2.94605 GPRESSAVG: 111800 2.04761 -10.8491 32.8903 -12.1494 34.5799 -44.0672 36.1746 -42.9738 -3.6188 TIMING: 111800 CPU: 351.203, 0.00313578/step Wall: 351.203, 0.00313578/step, 4.25787 hours remaining, 232.519531 MB of memory in use. ENERGY: 111800 3943.9674 20733.8579 14541.7617 240.5332 -202806.1980 2139.9916 0.0000 0.0000 52434.3209 -108771.7655 301.3408 -161206.0863 -108399.5176 300.4545 -147.7303 -119.9908 761407.3878 11.0979 11.0029 PRESSURE: 112000 -162.282 139.144 385.763 139.143 -98.9965 -154.463 385.763 -154.462 84.9886 GPRESSURE: 112000 -2.04514 96.6333 445.38 219.871 -154.221 -222.939 314.197 -128.75 54.1315 PRESSAVG: 112000 -51.7423 -5.92812 9.30321 -5.9281 53.516 -7.71195 9.30319 -7.71198 13.2655 GPRESSAVG: 112000 -51.0631 -4.7853 10.9649 -5.63873 52.5331 -9.63778 8.40518 -8.32313 13.8799 TIMING: 112000 CPU: 351.831, 0.00313999/step Wall: 351.831, 0.00313999/step, 4.26341 hours remaining, 232.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 112000 3987.9933 20652.6085 14490.0322 254.9158 -203072.8986 2639.2479 0.0000 0.0000 52387.7226 -108660.3783 301.0730 -161048.1009 -108298.0945 301.3311 -58.7634 -34.0448 761043.8297 5.0130 5.1166 PRESSURE: 112200 -29.0891 60.7934 -206.187 60.7932 -17.3356 -21.6084 -206.187 -21.6087 291.77 GPRESSURE: 112200 -114.994 77.4324 -175.657 -7.75128 86.2972 -26.7159 -127.227 35.1586 342.591 PRESSAVG: 112200 -41.8202 71.763 50.9728 71.763 4.39336 -41.3561 50.9728 -41.356 1.68124 GPRESSAVG: 112200 -42.05 71.8218 50.349 70.6099 5.16803 -41.1499 48.7606 -40.4809 0.639431 TIMING: 112200 CPU: 352.46, 0.00314603/step Wall: 352.46, 0.00314603/step, 4.27144 hours remaining, 232.519531 MB of memory in use. ENERGY: 112200 3979.1227 20507.3601 14535.2325 249.7310 -203396.1013 2716.3398 0.0000 0.0000 52428.3293 -108979.9858 301.3063 -161408.3152 -108617.0487 300.9229 81.7819 104.6313 760340.8297 -11.9152 -12.0809 LDB: ============= START OF LOAD BALANCING ============== 364.857 LDB: ============== END OF LOAD BALANCING =============== 364.857 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 364.859 LDB: ============= START OF LOAD BALANCING ============== 365.174 LDB: Largest compute 7075 load 0.031627 is 16.2% of average load 0.195487 LDB: Average compute 0.004370 is 2.2% of average load 0.195487 LDB: TIME 365.177 LOAD: AVG 0.195487 MAX 0.219767 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.52 MB LDB: TIME 365.177 LOAD: AVG 0.195487 MAX 0.219767 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.52 MB LDB: TIME 365.178 LOAD: AVG 0.195487 MAX 0.217173 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.52 MB LDB: ============== END OF LOAD BALANCING =============== 365.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 365.184 PRESSURE: 112400 -202.46 131.017 -153.47 131.018 -185.24 188.439 -153.469 188.438 -5.96021 GPRESSURE: 112400 -201.47 27.0734 -157.206 43.4735 -160.136 85.7986 -183.11 124.953 77.9982 PRESSAVG: 112400 15.135 25.2379 5.56793 25.2379 -38.4022 -81.4381 5.56789 -81.438 -2.3055 GPRESSAVG: 112400 14.4539 24.2137 5.07358 25.4067 -38.7707 -82.1441 8.72046 -82.0803 -1.8249 TIMING: 112400 CPU: 353.102, 0.0032089/step Wall: 353.102, 0.0032089/step, 4.35661 hours remaining, 231.425781 MB of memory in use. ENERGY: 112400 4099.2610 20566.1128 14524.0118 253.5938 -203243.6572 2519.5256 0.0000 0.0000 52102.3485 -109178.8036 299.4329 -161281.1521 -108819.3727 300.0521 -131.2203 -94.5359 762976.5636 -8.5242 -8.7139 PRESSURE: 112600 -187.688 -48.0716 18.7984 -48.0714 8.97882 186.576 18.799 186.576 -80.7327 GPRESSURE: 112600 -167.921 11.9079 15.9296 -129.725 31.3525 264.417 -2.77248 229.425 -33.794 PRESSAVG: 112600 -47.4954 35.9786 15.8314 35.9787 34.0919 27.719 15.8314 27.719 19.5586 GPRESSAVG: 112600 -47.1987 34.3085 16.1663 37.4002 34.4444 30.3548 15.2699 27.787 17.9626 TIMING: 112600 CPU: 353.729, 0.00313747/step Wall: 353.729, 0.00313747/step, 4.25947 hours remaining, 231.425781 MB of memory in use. ENERGY: 112600 4026.2583 20574.4147 14548.0766 267.6603 -203070.8114 2334.2945 0.0000 0.0000 52050.3313 -109269.7757 299.1340 -161320.1070 -108895.3919 299.7912 -86.4808 -56.7876 763411.7694 2.0517 1.7361 PRESSURE: 112800 -181.544 180.903 -25.3145 180.903 -162.824 15.7181 -25.3146 15.7192 104.137 GPRESSURE: 112800 -101.607 207.447 -41.1614 218.268 -202.526 12.5759 -42.9166 31.3194 129.665 PRESSAVG: 112800 -24.2802 -18.7275 6.08717 -18.7275 26.4594 -20.0148 6.08719 -20.0148 -13.6378 GPRESSAVG: 112800 -23.9354 -16.9225 4.98327 -19.2982 26.067 -19.6358 4.69657 -20.4414 -13.6646 TIMING: 112800 CPU: 354.361, 0.00315886/step Wall: 354.361, 0.00315886/step, 4.28832 hours remaining, 231.425781 MB of memory in use. ENERGY: 112800 4003.4352 20583.2153 14413.0702 254.5083 -203288.4705 2396.3818 0.0000 0.0000 52368.0279 -109269.8318 300.9598 -161637.8597 -108896.8236 299.3567 -80.0769 -58.1560 760864.9434 -3.8196 -3.8443 PRESSURE: 113000 -38.4566 85.5077 114.624 85.5065 199.105 -83.4927 114.626 -83.4934 -86.6311 GPRESSURE: 113000 23.7543 87.5304 26.7649 101.04 187.843 -137.004 125.71 -96.7921 -51.5593 PRESSAVG: 113000 -30.337 46.6902 -1.30359 46.6903 16.709 -0.198101 -1.30359 -0.198112 4.19716 GPRESSAVG: 113000 -29.5431 47.0661 -0.26421 47.2341 15.9013 -1.68937 -0.773199 -0.0275269 4.93301 TIMING: 113000 CPU: 354.991, 0.00314851/step Wall: 354.991, 0.00314851/step, 4.27411 hours remaining, 231.425781 MB of memory in use. ENERGY: 113000 4031.2576 20630.4562 14426.9206 239.5423 -203337.4035 2649.3804 0.0000 0.0000 52001.8639 -109357.9826 298.8554 -161359.8465 -108997.5084 299.4621 24.6723 53.3461 761993.2112 -3.1436 -2.9029 PRESSURE: 113200 58.8786 161.53 -104.582 161.53 -225.006 -64.8565 -104.582 -64.856 227.222 GPRESSURE: 113200 94.1132 129.495 -39.0977 -32.3939 -245.308 -7.35449 -49.7932 -6.49277 308.777 PRESSAVG: 113200 -37.7591 -11.9542 9.38929 -11.9543 20.1629 -76.6726 9.38927 -76.6726 -10.5062 GPRESSAVG: 113200 -38.4076 -10.7341 9.63586 -13.3398 20.7075 -75.4422 9.6395 -76.4675 -11.0562 TIMING: 113200 CPU: 355.618, 0.00313781/step Wall: 355.618, 0.00313781/step, 4.2594 hours remaining, 231.425781 MB of memory in use. ENERGY: 113200 3977.2392 20581.7100 14544.5512 249.8649 -203414.6824 2562.2478 0.0000 0.0000 51960.3269 -109538.7424 298.6167 -161499.0693 -109174.8013 299.1623 20.3648 52.5274 761755.8844 -9.3675 -9.5854 PRESSURE: 113400 -180.23 3.08392 -274.224 3.08416 95.9887 48.3764 -274.224 48.3758 187.844 GPRESSURE: 113400 -83.7937 -54.6345 -221.698 -85.0671 61.2588 76.4543 -133.058 -21.2042 219.511 PRESSAVG: 113400 25.7055 14.5171 22.2153 14.5171 4.04409 -2.33306 22.2154 -2.33304 5.66623 GPRESSAVG: 113400 25.6426 13.7291 19.0743 12.4528 4.04625 -4.57304 24.1665 -2.52098 6.20534 TIMING: 113400 CPU: 356.247, 0.00314257/step Wall: 356.247, 0.00314257/step, 4.26569 hours remaining, 231.425781 MB of memory in use. ENERGY: 113400 4065.9684 20634.5063 14517.5794 238.3518 -203551.3199 2768.7715 0.0000 0.0000 52098.0759 -109228.0666 299.4084 -161326.1425 -108875.5785 299.2907 34.5340 65.6586 759002.6908 11.8053 11.9647 PRESSURE: 113600 144.016 -51.4267 23.3944 -51.4263 -304.881 -206.128 23.3935 -206.127 75.4861 GPRESSURE: 113600 156.19 96.6848 75.5038 -113.785 -258.04 -195.742 -49.4766 -287.836 84.6243 PRESSAVG: 113600 8.48233 11.2614 33.233 11.2614 -39.9274 -42.0842 33.233 -42.0843 -8.83195 GPRESSAVG: 113600 7.59268 11.9293 35.6299 11.8206 -38.7064 -41.3296 29.3916 -41.7776 -8.53073 TIMING: 113600 CPU: 356.879, 0.00316301/step Wall: 356.879, 0.00316301/step, 4.29326 hours remaining, 231.425781 MB of memory in use. ENERGY: 113600 4029.4200 20519.7113 14489.0171 256.3191 -202693.7448 2218.4113 0.0000 0.0000 52142.5056 -109038.3605 299.6637 -161180.8660 -108673.8376 300.4471 -28.4598 -5.7417 760600.6512 -13.4257 -13.2148 PRESSURE: 113800 66.8318 -176.35 -218.656 -176.35 -372.726 4.94274 -218.656 4.94426 -302.384 GPRESSURE: 113800 -8.46297 -170.343 -177.114 -93.9224 -295.292 -13.2278 -127.109 111.643 -250.161 PRESSAVG: 113800 9.0364 4.06922 41.6414 4.06922 -37.0679 -34.1055 41.6415 -34.1056 0.141749 GPRESSAVG: 113800 9.41977 2.87778 41.4185 6.34177 -37.2198 -33.2358 43.5868 -35.3757 -0.343054 TIMING: 113800 CPU: 357.511, 0.00315598/step Wall: 357.511, 0.00315598/step, 4.28355 hours remaining, 231.425781 MB of memory in use. ENERGY: 113800 3987.1325 20690.3503 14489.6928 262.8094 -203173.5725 2421.0526 0.0000 0.0000 52070.7121 -109251.8228 299.2511 -161322.5349 -108897.2901 300.0632 -202.7595 -184.6387 760490.8396 -9.2966 -9.3810 PRESSURE: 114000 -291.701 -111.435 -75.6417 -111.435 -385.582 -102.425 -75.6425 -102.425 -149.709 GPRESSURE: 114000 -247.323 -167.122 -63.5542 -124.78 -358.517 -103.217 -166.768 -65.024 -148.287 PRESSAVG: 114000 -26.3586 -24.5336 29.7671 -24.5337 -11.8854 -7.79345 29.767 -7.7934 12.0167 GPRESSAVG: 114000 -24.7692 -24.974 28.11 -24.9611 -12.8608 -8.32832 30.3516 -6.40021 11.7698 TIMING: 114000 CPU: 358.141, 0.00315138/step Wall: 358.141, 0.00315138/step, 4.27712 hours remaining, 231.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 114000 3872.8923 20464.2642 14521.1534 230.0297 -202905.8440 2257.3033 0.0000 0.0000 52155.1415 -109405.0598 299.7363 -161560.2012 -109033.0919 299.3180 -275.6642 -251.3756 761824.5132 -8.7424 -8.6201 PRESSURE: 114200 51.227 123.392 123.298 123.391 -128.077 -61.4566 123.299 -61.4562 -239.759 GPRESSURE: 114200 70.1599 -27.3863 105.989 101.906 -78.9841 -93.2323 143.145 -2.10145 -230.041 PRESSAVG: 114200 15.7814 -22.7896 51.064 -22.7896 -52.9645 -37.8396 51.064 -37.8396 -6.79417 GPRESSAVG: 114200 14.9149 -23.2741 52.3917 -22.0041 -52.4768 -37.3199 51.6419 -36.7995 -6.39502 TIMING: 114200 CPU: 358.769, 0.00313936/step Wall: 358.769, 0.00313936/step, 4.26064 hours remaining, 231.425781 MB of memory in use. ENERGY: 114200 4071.6716 20425.5061 14416.1275 223.1121 -203390.2183 2439.6647 0.0000 0.0000 52435.4388 -109378.6975 301.3472 -161814.1364 -108996.2527 299.8791 -105.5364 -79.6216 760926.3607 -14.6591 -14.6523 PRESSURE: 114400 -49.7147 -90.0426 325.314 -90.0423 -273.013 136.353 325.314 136.354 77.9265 GPRESSURE: 114400 -22.4736 -87.1596 300.97 -79.148 -236.683 12.2876 218.853 1.18624 95.4958 PRESSAVG: 114400 -90.5637 4.85732 21.3659 4.85728 6.40592 0.360027 21.3659 0.360007 -0.173197 GPRESSAVG: 114400 -91.907 6.54941 21.5848 4.29654 6.42173 -2.34966 21.6167 0.0687189 0.797233 TIMING: 114400 CPU: 359.398, 0.00314508/step Wall: 359.398, 0.00314508/step, 4.26823 hours remaining, 231.425781 MB of memory in use. ENERGY: 114400 3948.6000 20622.3105 14502.0174 269.3972 -203368.4242 2490.2008 0.0000 0.0000 52125.8559 -109410.0424 299.5680 -161535.8983 -109037.6818 299.5874 -81.6004 -54.5535 759732.1158 -28.1103 -28.2294 PRESSURE: 114600 196.346 -75.3004 -169.872 -75.3006 -310.352 -280.258 -169.873 -280.257 -263.466 GPRESSURE: 114600 107.059 -53.152 -218.974 -149.377 -130.459 -182.105 -97.8351 -200.972 -266.684 PRESSAVG: 114600 24.8155 11.4122 -33.2138 11.4121 -40.4529 3.95359 -33.2139 3.9536 7.25338 GPRESSAVG: 114600 24.8107 10.1282 -32.8364 11.5397 -39.6201 7.90691 -33.7726 4.29742 5.96987 TIMING: 114600 CPU: 360.028, 0.00315052/step Wall: 360.028, 0.00315052/step, 4.27543 hours remaining, 231.425781 MB of memory in use. ENERGY: 114600 3988.8230 20525.8246 14469.8915 257.1436 -202899.4883 2371.6697 0.0000 0.0000 51797.9468 -109488.1891 297.6835 -161286.1359 -109124.8739 299.6945 -125.8242 -96.6947 761316.3578 -2.7947 -2.9465 PRESSURE: 114800 167.817 -322.168 91.5771 -322.168 -193.731 -43.0332 91.577 -43.034 -294.981 GPRESSURE: 114800 238.528 -353.417 83.4663 -211.948 -199.565 -31.3693 112.554 -73.4921 -277.112 PRESSAVG: 114800 79.8984 10.9283 -49.7864 10.9283 -36.494 -37.4592 -49.7864 -37.4593 -17.767 GPRESSAVG: 114800 80.9724 12.3497 -50.2103 11.4935 -37.4473 -38.9804 -48.5083 -40.1402 -17.5336 TIMING: 114800 CPU: 360.658, 0.00314928/step Wall: 360.658, 0.00314928/step, 4.27358 hours remaining, 231.425781 MB of memory in use. ENERGY: 114800 4015.1066 20622.3550 14483.6181 247.5336 -203248.0481 2469.1199 0.0000 0.0000 51569.8092 -109840.5056 296.3724 -161410.3148 -109491.3560 298.9828 -106.9650 -79.3828 760612.2100 8.5458 8.6638 PRESSURE: 115000 -212.952 43.1689 -11.0718 43.1688 -171.751 -43.8517 -11.0715 -43.852 106.706 GPRESSURE: 115000 -133.127 72.7086 20.9848 -45.3381 -127.792 -82.4632 32.2736 -106.127 85.1636 PRESSAVG: 115000 45.5585 -41.1603 3.07911 -41.1603 -60.2058 10.9903 3.0791 10.9903 13.7061 GPRESSAVG: 115000 45.2187 -41.4696 2.42722 -43.7105 -61.1367 9.14497 0.136586 14.8907 14.3615 TIMING: 115000 CPU: 361.289, 0.00315572/step Wall: 361.289, 0.00315572/step, 4.28214 hours remaining, 231.425781 MB of memory in use. ENERGY: 115000 3998.9379 20481.1168 14547.3577 251.9866 -203194.5237 2402.8639 0.0000 0.0000 51734.1107 -109778.1500 297.3166 -161512.2608 -109416.0306 298.6789 -92.6657 -58.5851 759224.2048 -0.3138 -0.5189 PRESSURE: 115200 -590.659 -28.5323 -68.7776 -28.5322 -123.73 23.9391 -68.7784 23.9385 -67.7797 GPRESSURE: 115200 -492.059 -125.076 -80.7903 -91.2065 -115.738 -2.33873 -91.9655 -34.7052 -100.492 PRESSAVG: 115200 -12.8913 13.8674 -15.8059 13.8674 2.81807 66.342 -15.806 66.342 20.2473 GPRESSAVG: 115200 -12.265 12.507 -16.8121 14.0675 3.72217 67.9815 -14.3161 64.6225 18.8357 TIMING: 115200 CPU: 361.916, 0.00313756/step Wall: 361.916, 0.00313756/step, 4.25732 hours remaining, 231.425781 MB of memory in use. ENERGY: 115200 3928.3539 20573.6576 14451.6991 243.0877 -203399.8571 2315.6241 0.0000 0.0000 52241.8301 -109645.6047 300.2345 -161887.4348 -109278.3804 299.5060 -260.7231 -236.0962 759642.1453 3.3914 3.4310 PRESSURE: 115400 436.635 65.3337 130.648 65.3333 -0.234068 111.225 130.648 111.224 267.564 GPRESSURE: 115400 521.884 89.825 141.723 8.69466 80.3012 100.8 202.116 98.4661 180.799 PRESSAVG: 115400 33.6524 4.64527 5.3479 4.64518 -20.2128 -21.6152 5.34786 -21.6153 -4.55464 GPRESSAVG: 115400 32.6752 5.94358 7.20225 5.34442 -20.0756 -21.8689 6.97434 -22.1326 -4.08982 TIMING: 115400 CPU: 362.547, 0.00315178/step Wall: 362.547, 0.00315178/step, 4.27644 hours remaining, 231.425781 MB of memory in use. ENERGY: 115400 4011.5036 20641.8620 14434.5326 243.4856 -203627.5859 2670.2702 0.0000 0.0000 52141.6196 -109484.3124 299.6586 -161625.9320 -109126.0017 299.5900 234.6551 260.9946 758712.4834 2.9617 2.8366 PRESSURE: 115600 -312.819 -135.58 181.203 -135.579 102.846 -57.1102 181.202 -57.1109 -24.7495 GPRESSURE: 115600 -283.963 -97.0409 200.562 -159.762 128.669 2.51196 93.4113 28.8481 -5.54569 PRESSAVG: 115600 -32.9663 -59.4292 -5.61748 -59.4291 18.177 -22.9305 -5.61743 -22.9306 0.31343 GPRESSAVG: 115600 -32.6745 -60.4326 -5.0617 -59.0953 17.6337 -24.9816 -7.28011 -20.4569 -0.117668 TIMING: 115600 CPU: 363.174, 0.00313484/step Wall: 363.174, 0.00313484/step, 4.25328 hours remaining, 231.425781 MB of memory in use. ENERGY: 115600 4002.3594 20500.8794 14453.8323 249.7009 -203128.5648 2300.4861 0.0000 0.0000 52202.0754 -109419.2313 300.0060 -161621.3067 -109060.5019 299.6551 -78.2408 -53.6134 760112.0151 -4.8253 -5.0528 PRESSURE: 115800 -101.307 -76.571 146.511 -76.5711 -357.112 146.846 146.511 146.847 -321.54 GPRESSURE: 115800 -55.3271 -11.7564 177.079 -151.57 -321.774 10.4783 59.749 249.855 -319.692 PRESSAVG: 115800 29.7821 -37.4808 -13.3554 -37.4808 -28.0103 -55.2534 -13.3554 -55.2534 16.2739 GPRESSAVG: 115800 30.0031 -37.0011 -12.8362 -36.8076 -29.4118 -53.353 -15.6615 -56.9682 17.2306 TIMING: 115800 CPU: 363.805, 0.00315704/step Wall: 363.805, 0.00315704/step, 4.28322 hours remaining, 231.425781 MB of memory in use. ENERGY: 115800 4011.8589 20645.0445 14511.9132 239.9186 -203428.9447 2388.0905 0.0000 0.0000 52172.2422 -109459.8767 299.8346 -161632.1189 -109094.4337 299.4555 -259.9861 -232.2644 760231.4718 6.0152 5.9406 PRESSURE: 116000 -141.045 -101.212 -43.761 -101.213 40.3248 -129.609 -43.7617 -129.61 -332.905 GPRESSURE: 116000 -127.204 19.0172 -25.1688 -105.578 53.4767 -107.547 -40.246 -120.051 -263.066 PRESSAVG: 116000 36.4691 40.5195 -31.3312 40.5195 -81.2248 -3.91305 -31.3313 -3.91308 19.9677 GPRESSAVG: 116000 36.4001 40.3427 -34.1649 40.3566 -79.6163 -4.04063 -30.0684 -5.64552 18.7817 TIMING: 116000 CPU: 364.433, 0.00313829/step Wall: 364.433, 0.00313829/step, 4.25762 hours remaining, 231.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 116000 3959.7830 20528.0280 14505.6061 237.0425 -203230.7206 2381.0158 0.0000 0.0000 52192.7657 -109426.4794 299.9525 -161619.2451 -109057.8253 299.5092 -144.5418 -112.2643 762669.7247 -8.2627 -8.1448 PRESSURE: 116200 347.919 125.229 -139.026 125.228 -243.857 2.74386 -139.025 2.74257 27.7457 GPRESSURE: 116200 368.788 121.766 -118.771 88.0206 -192.707 35.5123 -34.7394 -59.0411 44.7755 PRESSAVG: 116200 16.1186 -20.0559 9.9875 -20.0558 -33.9182 -24.1471 9.98751 -24.1472 -6.88852 GPRESSAVG: 116200 16.8954 -20.5205 11.2561 -20.1005 -34.0378 -24.4173 11.5995 -22.4516 -6.98445 TIMING: 116200 CPU: 365.064, 0.00315802/step Wall: 365.064, 0.00315802/step, 4.2842 hours remaining, 231.425781 MB of memory in use. ENERGY: 116200 3998.3972 20557.5636 14433.8111 255.3374 -203735.3330 2859.5817 0.0000 0.0000 52249.0720 -109381.5698 300.2761 -161630.6419 -109003.7109 299.5737 43.9358 73.6188 762232.8051 -8.2294 -8.0423 LDB: ============= START OF LOAD BALANCING ============== 377.462 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 377.462 LDB: =============== DONE WITH MIGRATION ================ 377.463 LDB: ============= START OF LOAD BALANCING ============== 377.776 LDB: Largest compute 7025 load 0.033385 is 17.1% of average load 0.195449 LDB: Average compute 0.004370 is 2.2% of average load 0.195449 LDB: TIME 377.78 LOAD: AVG 0.195449 MAX 0.218823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.707 MB LDB: TIME 377.78 LOAD: AVG 0.195449 MAX 0.218823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: TIME 377.78 LOAD: AVG 0.195449 MAX 0.217659 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: ============== END OF LOAD BALANCING =============== 377.782 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 377.787 PRESSURE: 116400 -206.393 34.092 234.432 34.0924 -62.2425 -170.319 234.432 -170.319 -72.1134 GPRESSURE: 116400 -122.86 59.1734 225.82 59.8943 -7.40273 -92.4235 163.721 -124.674 -127.655 PRESSAVG: 116400 -10.4947 -10.9936 31.6077 -10.9936 -14.6603 18.4331 31.6077 18.4331 -8.08182 GPRESSAVG: 116400 -10.9742 -11.2856 32.8998 -10.0519 -14.6469 19.5183 30.0857 17.7749 -8.13218 TIMING: 116400 CPU: 365.705, 0.00320192/step Wall: 365.705, 0.00320192/step, 4.34358 hours remaining, 232.007812 MB of memory in use. ENERGY: 116400 4001.4217 20472.1337 14536.3349 262.8786 -203154.1491 2359.2494 0.0000 0.0000 52036.3480 -109485.7828 299.0536 -161522.1308 -109120.6315 299.4616 -113.5831 -85.9724 761181.1479 -11.0790 -11.2511 PRESSURE: 116600 -41.8601 -3.03459 -47.911 -3.03485 -452.282 6.87564 -47.9113 6.87638 -332.164 GPRESSURE: 116600 -56.1006 -118.636 -58.6565 -96.4653 -363.942 -12.5153 -111.145 -53.1657 -323.118 PRESSAVG: 116600 16.243 35.2767 -3.33703 35.2767 -77.0733 -8.92463 -3.33702 -8.92454 21.8345 GPRESSAVG: 116600 16.4627 38.2529 -3.70682 33.3286 -77.6382 -9.93177 -3.0212 -8.26057 21.9539 TIMING: 116600 CPU: 366.332, 0.00313384/step Wall: 366.332, 0.00313384/step, 4.25106 hours remaining, 232.007812 MB of memory in use. ENERGY: 116600 4031.6967 20494.3168 14477.0194 241.9219 -203352.1872 2495.1833 0.0000 0.0000 52160.1347 -109451.9145 299.7650 -161612.0492 -109090.2231 299.4248 -275.4352 -247.7201 761669.6527 -12.9986 -13.0739 PRESSURE: 116800 -239.136 177.425 0.429605 177.425 270.534 -154.637 0.430477 -154.637 -28.9272 GPRESSURE: 116800 -166.097 121.789 67.0501 128.348 301.619 -138.692 16.6663 -238.468 -59.9207 PRESSAVG: 116800 -3.03376 57.5759 11.1916 57.5759 -24.3058 26.2307 11.1916 26.2307 -9.69516 GPRESSAVG: 116800 -3.66788 54.0622 11.3592 58.2256 -24.3038 26.5753 11.9532 23.2373 -10.1609 TIMING: 116800 CPU: 366.961, 0.00314947/step Wall: 366.961, 0.00314947/step, 4.27208 hours remaining, 232.007812 MB of memory in use. ENERGY: 116800 3973.6019 20677.7621 14436.2480 208.4834 -203525.7753 2627.3317 0.0000 0.0000 52057.4731 -109544.8750 299.1750 -161602.3481 -109175.4830 299.3602 0.8236 25.2005 761460.9137 -12.3449 -12.7109 PRESSURE: 117000 -246.187 23.5538 98.5253 23.5532 -2.03613 75.2634 98.5252 75.2637 87.463 GPRESSURE: 117000 -196.961 7.48788 52.9145 -20.4269 -40.0873 64.7213 -24.8174 131.781 147.794 PRESSAVG: 117000 28.864 15.8613 18.3193 15.8613 -28.5971 -55.9499 18.3193 -55.9499 0.519914 GPRESSAVG: 117000 27.7717 16.0696 17.2199 16.8752 -28.2388 -56.8179 17.0095 -53.21 0.897039 TIMING: 117000 CPU: 367.59, 0.00314462/step Wall: 367.59, 0.00314462/step, 4.26533 hours remaining, 232.007812 MB of memory in use. ENERGY: 117000 3988.8788 20520.5624 14464.1665 238.3839 -203649.2803 2858.2126 0.0000 0.0000 52153.6361 -109425.4400 299.7277 -161579.0761 -109066.5064 299.3331 -53.5867 -29.7516 761697.6124 0.2623 0.1433 PRESSURE: 117200 80.3526 -10.033 -80.7005 -10.0333 -21.739 -70.0791 -80.7005 -70.0797 127.116 GPRESSURE: 117200 181.533 -47.3691 -117.345 -6.61168 -18.1209 -72.364 -64.1276 -53.7662 113.609 PRESSAVG: 117200 -2.36264 -21.4131 26.5272 -21.4131 11.1786 -4.62689 26.5272 -4.62693 10.7243 GPRESSAVG: 117200 -0.729002 -19.7987 26.9303 -23.1311 10.0032 -3.39285 27.8463 -6.77414 10.1546 TIMING: 117200 CPU: 368.223, 0.00316323/step Wall: 368.223, 0.00316323/step, 4.29039 hours remaining, 232.007812 MB of memory in use. ENERGY: 117200 4082.5960 20403.1036 14452.6834 264.7332 -203520.9796 2804.7286 0.0000 0.0000 52367.2799 -109145.8549 300.9555 -161513.1348 -108771.0111 300.0777 61.9099 92.3404 763318.8143 6.5134 6.4763 PRESSURE: 117400 6.75519 -80.0114 43.1772 -80.0112 19.8845 -12.2045 43.1768 -12.2053 317.394 GPRESSURE: 117400 -21.7848 -148.946 18.5259 -95.3823 181.486 -52.2629 113.188 -99.4409 279.201 PRESSAVG: 117400 13.3426 3.31869 -33.5809 3.31866 33.892 -1.93992 -33.5809 -1.93991 -3.89576 GPRESSAVG: 117400 12.6422 4.24565 -33.2312 2.86194 34.9579 -2.19809 -35.157 -0.974189 -4.09994 TIMING: 117400 CPU: 368.856, 0.00316258/step Wall: 368.856, 0.00316258/step, 4.28934 hours remaining, 232.007812 MB of memory in use. ENERGY: 117400 3928.2555 20443.2034 14476.0767 226.8122 -203876.3364 2875.2871 0.0000 0.0000 52503.7751 -109422.9264 301.7399 -161926.7015 -109056.0384 300.2405 114.6780 146.3006 761241.7860 14.4463 14.5001 PRESSURE: 117600 432.792 -188.448 -106.604 -188.445 33.7191 -70.7158 -106.604 -70.7157 309.708 GPRESSURE: 117600 345.613 -245.196 -133.073 -194.43 151.694 -63.7962 -132.739 -132.282 352.043 PRESSAVG: 117600 -19.358 -10.6317 -49.1049 -10.6317 -32.5067 -16.5624 -49.1049 -16.5624 -15.7721 GPRESSAVG: 117600 -19.7333 -11.5273 -49.3809 -10.1613 -32.4845 -17.8413 -48.2068 -17.353 -15.5688 TIMING: 117600 CPU: 369.487, 0.00315633/step Wall: 369.487, 0.00315633/step, 4.28068 hours remaining, 232.007812 MB of memory in use. ENERGY: 117600 4024.0289 20846.9947 14462.5550 253.2342 -203871.0721 2895.6500 0.0000 0.0000 52093.8397 -109294.7694 299.3840 -161388.6091 -108944.9478 299.7023 258.7397 283.1169 760948.8439 -22.5456 -22.5955 PRESSURE: 117800 -63.4078 -138.667 -96.3427 -138.668 -84.9523 21.5024 -96.3418 21.5027 110.743 GPRESSURE: 117800 -73.3603 -26.1282 -56.4586 -75.229 32.7666 59.8964 -172.331 -7.56934 98.8408 PRESSAVG: 117800 25.5659 -24.1106 11.0699 -24.1106 -20.7492 20.3179 11.0698 20.3179 7.02929 GPRESSAVG: 117800 26.4548 -23.1235 9.9123 -24.0562 -22.1637 21.8499 12.2354 20.4824 6.82984 TIMING: 117800 CPU: 370.115, 0.00313978/step Wall: 370.115, 0.00313978/step, 4.25806 hours remaining, 232.007812 MB of memory in use. ENERGY: 117800 4021.3430 20419.4688 14503.7653 242.2002 -203490.1055 2671.0183 0.0000 0.0000 52228.3279 -109403.9819 300.1569 -161632.3098 -109033.7454 299.5642 -12.5391 19.4157 762006.8739 3.9487 3.7070 PRESSURE: 118000 -161.945 -41.7916 -67.5387 -41.7918 178.589 -94.2935 -67.5373 -94.2921 32.2521 GPRESSURE: 118000 -90.4103 -19.0389 -2.31353 154.091 183.505 54.3093 -95.2906 -81.7571 49.4091 PRESSAVG: 118000 -7.86498 -24.062 34.7687 -24.062 31.6344 -30.4657 34.7687 -30.4657 -18.2299 GPRESSAVG: 118000 -8.80982 -23.9424 36.0725 -20.7638 33.5332 -30.0744 33.0505 -29.2702 -18.6628 TIMING: 118000 CPU: 370.743, 0.00314234/step Wall: 370.743, 0.00314234/step, 4.26137 hours remaining, 232.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 118000 4058.1270 20439.8314 14558.4164 278.2837 -203465.9461 2616.3179 0.0000 0.0000 52159.4311 -109355.5387 299.7610 -161514.9698 -108989.0482 299.7496 16.2988 47.5012 761541.3142 1.8465 2.0202 PRESSURE: 118200 71.3817 79.4279 12.8969 79.428 282.039 105.013 12.897 105.014 12.9548 GPRESSURE: 118200 120.777 50.543 35.854 76.5721 264.136 35.9884 76.3748 50.7367 72.591 PRESSAVG: 118200 8.92139 6.17176 30.9583 6.17172 42.6328 33.319 30.9583 33.3191 8.46148 GPRESSAVG: 118200 8.29275 5.57053 30.7188 3.01166 41.5285 34.2124 32.6183 31.9153 9.83011 TIMING: 118200 CPU: 371.375, 0.00315976/step Wall: 371.375, 0.00315976/step, 4.28481 hours remaining, 232.007812 MB of memory in use. ENERGY: 118200 3965.0695 20587.8082 14443.6817 235.6610 -203463.5736 2693.2944 0.0000 0.0000 52217.7504 -109320.3084 300.0961 -161538.0588 -108959.5053 299.4571 122.1250 152.5014 762341.2059 20.0052 19.8838 PRESSURE: 118400 79.0602 -158.296 -91.4334 -158.297 -106.074 68.5401 -91.4336 68.541 22.7889 GPRESSURE: 118400 126.966 -60.0062 -186.567 -253.918 -73.9914 120.737 14.2477 -121.854 1.71262 PRESSAVG: 118400 -58.9979 -25.2949 -13.437 -25.2949 18.6859 28.8427 -13.437 28.8427 -7.45509 GPRESSAVG: 118400 -58.2148 -24.8328 -11.5643 -25.6157 18.1699 28.2957 -14.0796 28.4793 -7.76486 TIMING: 118400 CPU: 372.007, 0.00316062/step Wall: 372.007, 0.00316062/step, 4.2858 hours remaining, 232.007812 MB of memory in use. ENERGY: 118400 3995.8811 20585.1309 14539.6907 238.4783 -203469.2931 2643.3046 0.0000 0.0000 52159.7023 -109307.1053 299.7625 -161466.8076 -108938.2942 299.6975 -1.4083 18.2290 760889.4692 -15.9224 -15.9366 PRESSURE: 118600 -257.794 10.8312 -49.9992 10.8315 90.4415 -203.219 -49.9993 -203.22 412.068 GPRESSURE: 118600 -199.509 -17.1999 -1.52841 -72.2697 142.072 -154.488 1.85647 -142.901 360.742 PRESSAVG: 118600 69.3496 -37.154 -6.56887 -37.154 -23.6242 -31.086 -6.56884 -31.0859 2.29301 GPRESSAVG: 118600 68.5957 -35.7357 -7.6338 -37.9662 -22.4728 -30.6337 -7.53631 -29.6337 1.85282 TIMING: 118600 CPU: 372.639, 0.00315748/step Wall: 372.639, 0.00315748/step, 4.28136 hours remaining, 232.007812 MB of memory in use. ENERGY: 118600 4023.2402 20538.1938 14374.8538 236.4849 -203110.1465 2498.5657 0.0000 0.0000 52192.0390 -109246.7690 299.9484 -161438.8080 -108884.5576 300.1401 81.5716 101.1017 761859.1314 16.0061 15.9919 PRESSURE: 118800 161.878 102.515 -132.257 102.515 -428.828 -24.3476 -132.257 -24.3479 -328.537 GPRESSURE: 118800 135.274 -20.9599 -99.344 34.3683 -332.628 -41.0058 -153.942 -24.9299 -319.71 PRESSAVG: 118800 31.8038 -41.2723 20.7796 -41.2723 28.309 11.1974 20.7796 11.1973 -1.76292 GPRESSAVG: 118800 31.5302 -46.0315 21.6366 -40.4959 29.3925 11.8544 20.6701 12.3706 -1.98342 TIMING: 118800 CPU: 373.271, 0.00315992/step Wall: 373.271, 0.00315992/step, 4.2845 hours remaining, 232.007812 MB of memory in use. ENERGY: 118800 4015.2683 20485.0329 14547.5725 250.1272 -203471.8670 2578.2919 0.0000 0.0000 52139.3206 -109456.2536 299.6454 -161595.5742 -109088.4498 299.5955 -198.4958 -172.3545 761445.3742 19.4500 19.6464 PRESSURE: 119000 -83.6984 110.601 -105.433 110.601 -217.029 47.0897 -105.433 47.0904 -324.69 GPRESSURE: 119000 49.7173 111.087 -30.1738 102.21 -314.45 74.158 -155.795 -36.4686 -264.724 PRESSAVG: 119000 34.2607 -48.314 -46.721 -48.314 -42.1638 11.3356 -46.721 11.3356 -24.4284 GPRESSAVG: 119000 35.8667 -43.8566 -47.5568 -48.9745 -43.0367 10.2663 -48.0137 9.01716 -24.987 TIMING: 119000 CPU: 373.898, 0.0031376/step Wall: 373.898, 0.00313759/step, 4.25406 hours remaining, 232.007812 MB of memory in use. ENERGY: 119000 4009.0833 20433.7047 14492.1423 251.7542 -203000.5092 2413.5343 0.0000 0.0000 51896.1172 -109504.1733 298.2477 -161400.2904 -109155.5415 299.6445 -208.4724 -176.4853 760623.1349 -10.7772 -10.7190 PRESSURE: 119200 -66.6458 -82.5124 -284.757 -82.5132 -372.585 159.18 -284.758 159.179 -597.3 GPRESSURE: 119200 -91.0423 -61.2577 -215.862 -106.563 -231.171 136.787 -257.192 273.91 -610.908 PRESSAVG: 119200 45.0139 -50.0306 -19.688 -50.0306 15.9125 -18.7887 -19.6879 -18.7888 14.1259 GPRESSAVG: 119200 44.3646 -50.9126 -19.7513 -49.6751 16.3395 -17.8168 -17.6235 -17.1194 15.1605 TIMING: 119200 CPU: 374.534, 0.00317672/step Wall: 374.534, 0.00317672/step, 4.30692 hours remaining, 232.007812 MB of memory in use. ENERGY: 119200 3907.3573 20494.3959 14464.6272 255.8247 -203162.2637 2159.4218 0.0000 0.0000 52389.7399 -109490.8968 301.0846 -161880.6366 -109112.4416 299.6363 -345.5100 -311.0404 759766.2759 25.0174 25.2882 PRESSURE: 119400 108.17 131.754 -21.4648 131.755 106.98 77.7766 -21.4642 77.7769 111.72 GPRESSURE: 119400 110.085 234.091 -9.80246 23.4475 226.782 110.325 38.4829 -18.4955 54.3501 PRESSAVG: 119400 42.1653 -30.8802 -26.4983 -30.8802 -21.0931 -54.4788 -26.4983 -54.4787 -20.8624 GPRESSAVG: 119400 42.8466 -30.5252 -24.9294 -30.7953 -21.1641 -55.9607 -25.7499 -54.1102 -21.3246 TIMING: 119400 CPU: 375.164, 0.00315292/step Wall: 375.164, 0.00315292/step, 4.27448 hours remaining, 232.007812 MB of memory in use. ENERGY: 119400 3947.5088 20725.7906 14460.6211 252.9003 -203146.5505 2439.0685 0.0000 0.0000 51943.4854 -109377.1758 298.5199 -161320.6612 -109018.4658 299.4597 108.9568 130.4056 762028.8636 0.0699 0.1193 PRESSURE: 119600 -137.023 8.40634 -52.1951 8.40566 -435.197 214.547 -52.1953 214.548 -423.54 GPRESSURE: 119600 -98.1901 35.0693 18.6924 -26.1034 -327.297 131.958 -113.441 270.997 -486.567 PRESSAVG: 119600 14.1377 33.5482 -27.7645 33.5482 -5.96398 6.19235 -27.7645 6.19236 0.436375 GPRESSAVG: 119600 13.8781 34.2394 -30.9928 34.9166 -5.40136 6.18941 -29.4261 5.31915 0.672083 TIMING: 119600 CPU: 375.796, 0.0031587/step Wall: 375.796, 0.0031587/step, 4.28214 hours remaining, 232.007812 MB of memory in use. ENERGY: 119600 3992.1851 20624.0635 14473.2561 250.3195 -203115.6124 2354.0232 0.0000 0.0000 52134.6335 -109287.1315 299.6185 -161421.7650 -108925.8121 299.7671 -331.9199 -304.0180 761302.8615 2.8700 3.0496 PRESSURE: 119800 -63.7944 -82.2681 38.7368 -82.2684 78.7986 2.535 38.7372 2.53522 -267.535 GPRESSURE: 119800 -31.864 -148.696 28.1353 -38.6671 86.7294 -50.4811 83.551 55.9467 -251.283 PRESSAVG: 119800 51.0973 -12.7487 -60.2062 -12.7486 -66.1752 -8.2006 -60.2062 -8.20055 11.1488 GPRESSAVG: 119800 51.2295 -13.9763 -57.1721 -13.2664 -66.2518 -9.03802 -58.5037 -6.95712 11.5412 TIMING: 119800 CPU: 376.427, 0.00315385/step Wall: 376.427, 0.00315385/step, 4.2754 hours remaining, 232.007812 MB of memory in use. ENERGY: 119800 4112.9210 20658.0424 14482.9069 245.9324 -203456.7215 2689.7802 0.0000 0.0000 51935.2377 -109331.9009 298.4725 -161267.1385 -108976.9095 299.8357 -84.1770 -65.4724 762594.5339 -1.3097 -1.1604 PRESSURE: 120000 0.15932 178.945 -316.478 178.945 -200.598 36.8203 -316.479 36.8191 131.835 GPRESSURE: 120000 51.2241 62.2555 -343.508 182.096 -131.234 -11.1263 -344.201 14.0811 98.4454 PRESSAVG: 120000 56.8271 -13.3934 40.8559 -13.3933 -109.086 -9.24837 40.8559 -9.24834 -15.2785 GPRESSAVG: 120000 56.932 -13.9066 38.2767 -15.2024 -109.356 -8.88184 40.7508 -8.94557 -15.6517 TIMING: 120000 CPU: 377.056, 0.003147/step Wall: 377.056, 0.00314701/step, 4.26594 hours remaining, 232.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 120000 3910.8305 20524.5134 14414.6730 235.7729 -203142.3129 2390.6948 0.0000 0.0000 52389.6009 -109276.2275 301.0838 -161665.8284 -108901.4179 299.3544 -22.8679 6.1451 762580.1669 -22.5123 -22.6919 PRESSURE: 120200 -8.44104 -11.2579 6.24515 -11.2585 66.5803 -257.539 6.24434 -257.539 209.887 GPRESSURE: 120200 34.2566 -36.8346 -139.851 -130.635 111.506 -134.451 77.7426 -202.619 226.33 PRESSAVG: 120200 29.3055 -34.4559 32.0372 -34.4559 23.7197 -32.2727 32.0371 -32.2728 -10.5573 GPRESSAVG: 120200 31.8877 -31.7141 33.6579 -34.8952 22.6821 -30.4753 28.9603 -33.2887 -12.0305 TIMING: 120200 CPU: 377.684, 0.0031396/step Wall: 377.684, 0.0031396/step, 4.25573 hours remaining, 232.007812 MB of memory in use. ENERGY: 120200 3967.4729 20673.4818 14437.1056 246.0513 -202926.1402 2343.6405 0.0000 0.0000 52084.8364 -109173.5517 299.3323 -161258.3882 -108813.7752 299.8895 89.3420 124.0307 762443.6889 14.1560 14.1798 LDB: ============= START OF LOAD BALANCING ============== 390.081 LDB: ============== END OF LOAD BALANCING =============== 390.081 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 390.083 LDB: ============= START OF LOAD BALANCING ============== 390.398 LDB: Largest compute 7067 load 0.032361 is 16.6% of average load 0.195506 LDB: Average compute 0.004379 is 2.2% of average load 0.195506 LDB: TIME 390.401 LOAD: AVG 0.195506 MAX 0.217613 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.496 MB LDB: TIME 390.402 LOAD: AVG 0.195506 MAX 0.217613 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: TIME 390.402 LOAD: AVG 0.195506 MAX 0.217613 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: ============== END OF LOAD BALANCING =============== 390.404 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 390.409 PRESSURE: 120400 293.012 139.034 159.032 139.035 45.0644 103.178 159.033 103.179 202.045 GPRESSURE: 120400 332.126 43.5579 187.843 162.351 64.6834 -15.3853 173.715 58.4351 228.27 PRESSAVG: 120400 13.3187 12.754 26.4375 12.7539 -37.987 -20.0804 26.4375 -20.0805 27.1228 GPRESSAVG: 120400 11.0398 9.08678 25.699 13.8414 -38.0511 -21.0146 28.9528 -20.624 29.4571 TIMING: 120400 CPU: 378.326, 0.00321062/step Wall: 378.326, 0.00321062/step, 4.35181 hours remaining, 230.984375 MB of memory in use. ENERGY: 120400 4060.8608 20526.8014 14464.5959 258.1404 -203305.5028 2752.5698 0.0000 0.0000 52238.5492 -109003.9852 300.2157 -161242.5345 -108651.2154 300.0258 180.0403 208.3599 760165.1305 0.8182 0.8153 PRESSURE: 120600 3.59071 -157.82 260.896 -157.82 -241.763 -286.531 260.896 -286.533 -108.752 GPRESSURE: 120600 -28.4928 -120.106 226.716 -99.0504 -135.052 -353.187 257.935 -129.051 -99.5503 PRESSAVG: 120600 45.3609 25.0809 75.0625 25.0809 -64.8105 -87.1511 75.0624 -87.1512 1.58587 GPRESSAVG: 120600 44.6798 25.6894 76.1379 25.5035 -62.85 -85.9771 75.0328 -86.2735 -0.0354592 TIMING: 120600 CPU: 378.952, 0.00312813/step Wall: 378.952, 0.00312813/step, 4.23983 hours remaining, 230.984375 MB of memory in use. ENERGY: 120600 4038.2022 20515.0137 14439.5344 242.7068 -203266.5453 2555.2040 0.0000 0.0000 52235.6320 -109240.2522 300.1989 -161475.8842 -108882.1824 300.1714 -115.6413 -87.6985 760753.8298 -5.9546 -6.0686 PRESSURE: 120800 225.729 -112.483 -257.731 -112.483 -191.27 35.0016 -257.73 35.0028 242.893 GPRESSURE: 120800 293.765 -26.1422 -233.232 -46.8361 -172.653 103.65 -160.883 -15.217 223.417 PRESSAVG: 120800 43.5235 -0.129958 26.7214 -0.129989 -58.9314 -20.1313 26.7213 -20.1312 -12.8748 GPRESSAVG: 120800 43.8888 -0.738812 26.2338 -1.28604 -59.681 -20.7197 26.5708 -20.2726 -12.1051 TIMING: 120800 CPU: 379.582, 0.00315212/step Wall: 379.582, 0.00315212/step, 4.27217 hours remaining, 230.984375 MB of memory in use. ENERGY: 120800 4027.7006 20540.2566 14489.9076 247.1054 -203617.7397 2788.4385 0.0000 0.0000 52478.1332 -109046.1976 301.5926 -161524.3308 -108683.3789 300.2670 92.4505 114.8430 759765.1381 -9.4276 -9.2991 PRESSURE: 121000 50.5834 -142.602 10.0891 -142.602 20.8778 -406.511 10.0885 -406.511 -382.883 GPRESSURE: 121000 56.5253 -142.452 69.3111 -27.314 37.7052 -427.151 41.3729 -242.556 -330.458 PRESSAVG: 121000 -9.43888 -32.1594 63.0175 -32.1594 -17.7756 -83.7284 63.0175 -83.7284 3.93887 GPRESSAVG: 121000 -9.21474 -32.0371 64.0587 -31.3224 -17.8584 -84.1043 62.4767 -85.2117 3.86582 TIMING: 121000 CPU: 380.211, 0.00314322/step Wall: 380.211, 0.00314322/step, 4.25993 hours remaining, 230.984375 MB of memory in use. ENERGY: 121000 4025.6153 20652.5553 14410.5526 234.9631 -203327.7320 2461.0265 0.0000 0.0000 52290.9238 -109252.0954 300.5167 -161543.0193 -108881.8313 300.1185 -103.8072 -78.7423 759722.6729 -7.7585 -7.7358 PRESSURE: 121200 56.4768 -147.232 -227.903 -147.232 -141.441 -306.773 -227.903 -306.773 63.0468 GPRESSURE: 121200 140.376 -114.984 -242.759 -73.6765 -143.906 -252.985 -149.272 -302.061 59.881 PRESSAVG: 121200 -6.32068 0.66192 -19.9945 0.661892 38.4147 -4.33933 -19.9945 -4.33936 24.3955 GPRESSAVG: 121200 -6.08723 0.429316 -19.0431 1.50439 37.2824 -2.73822 -19.3431 -3.23143 25.4936 TIMING: 121200 CPU: 380.841, 0.00314939/step Wall: 380.841, 0.00314939/step, 4.26812 hours remaining, 230.984375 MB of memory in use. ENERGY: 121200 3958.5971 20512.9361 14515.3408 242.0984 -203014.5385 2582.4110 0.0000 0.0000 52032.5442 -109170.6109 299.0317 -161203.1551 -108810.8621 299.9027 -7.3060 18.7837 759895.6040 18.8298 18.8963 PRESSURE: 121400 -91.2062 -86.3768 -111.908 -86.3768 -98.5669 47.2185 -111.908 47.2175 31.4939 GPRESSURE: 121400 -19.5661 -35.7786 -147.704 -52.9242 -47.1003 77.5452 -57.0461 86.6551 21.7704 PRESSAVG: 121400 1.68482 25.9147 -23.9626 25.9147 -0.50252 -80.0481 -23.9627 -80.0481 17.1942 GPRESSAVG: 121400 1.64613 26.8669 -25.2148 24.6326 1.89318 -80.2915 -23.3352 -80.0565 15.1903 TIMING: 121400 CPU: 381.47, 0.00314523/step Wall: 381.47, 0.00314523/step, 4.26231 hours remaining, 230.984375 MB of memory in use. ENERGY: 121400 4032.7882 20657.5862 14388.7706 239.7663 -203505.7958 2691.9910 0.0000 0.0000 52223.2166 -109271.6768 300.1275 -161494.8934 -108909.1955 300.4292 -52.7597 -14.9653 758245.5243 6.1255 6.2432 PRESSURE: 121600 -9.22601 18.2726 48.9888 18.2721 74.761 238.397 48.9887 238.398 -84.8711 GPRESSURE: 121600 16.815 -100.843 71.1529 93.316 146.54 234.947 139.858 68.9431 -97.2054 PRESSAVG: 121600 -43.2769 -6.93583 -8.43408 -6.93578 27.7506 -36.7693 -8.43406 -36.7694 -6.91352 GPRESSAVG: 121600 -44.0481 -7.62326 -6.41512 -5.76405 26.8554 -36.7453 -10.2965 -38.1508 -5.184 TIMING: 121600 CPU: 382.102, 0.00316153/step Wall: 382.102, 0.00316153/step, 4.28422 hours remaining, 230.984375 MB of memory in use. ENERGY: 121600 4053.5480 20535.6837 14442.5295 259.8761 -203292.2944 2651.9004 0.0000 0.0000 52222.3980 -109126.3586 300.1228 -161348.7566 -108764.7256 299.7676 -6.4454 22.0498 760753.6622 -7.4799 -7.4589 PRESSURE: 121800 -194.68 -123.039 13.247 -123.039 90.057 -4.80338 13.2471 -4.80343 224.11 GPRESSURE: 121800 -157.991 -110.287 -89.1532 -52.0613 113.166 106.188 126.415 -85.2918 252.355 PRESSAVG: 121800 20.2488 -11.7033 36.4115 -11.7033 24.8551 -52.118 36.4115 -52.118 20.873 GPRESSAVG: 121800 20.9381 -10.2638 34.6221 -12.1065 24.3711 -52.9609 36.1793 -52.2018 20.2196 TIMING: 121800 CPU: 382.731, 0.00314633/step Wall: 382.731, 0.00314633/step, 4.26345 hours remaining, 230.984375 MB of memory in use. ENERGY: 121800 3965.5868 20686.1968 14448.9716 270.9515 -203029.9614 2510.0687 0.0000 0.0000 52026.8509 -109121.3352 298.9990 -161148.1860 -108771.9425 299.8700 39.8290 69.1769 761904.7623 21.9923 21.8429 PRESSURE: 122000 -35.7353 -69.2504 -29.3439 -69.2508 167.141 218.095 -29.3436 218.095 -35.1369 GPRESSURE: 122000 69.1038 -7.16892 -59.0858 -66.8594 197.668 221.58 -13.7314 204.366 -76.3854 PRESSAVG: 122000 41.706 8.56736 31.8681 8.56732 -55.9556 -15.8595 31.8681 -15.8595 -15.6634 GPRESSAVG: 122000 41.3357 9.24352 32.0047 8.60476 -54.3214 -16.2419 33.1074 -16.481 -16.5712 TIMING: 122000 CPU: 383.359, 0.00313865/step Wall: 383.359, 0.00313865/step, 4.25286 hours remaining, 230.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 122000 4004.8751 20601.7878 14445.9925 248.1691 -202935.3001 2299.6808 0.0000 0.0000 52058.3578 -109276.4370 299.1801 -161334.7948 -108916.3630 299.5069 32.0895 63.4622 761881.0009 -9.9710 -9.8523 PRESSURE: 122200 48.95 -97.5766 28.3324 -97.5759 -130.276 158.579 28.3341 158.578 -361.263 GPRESSURE: 122200 25.5638 -18.4018 96.7048 -26.0523 -56.8739 89.1465 -6.84892 184.332 -314.797 PRESSAVG: 122200 12.9139 1.52771 54.3807 1.52772 -24.4097 -2.91038 54.3808 -2.91035 -23.012 GPRESSAVG: 122200 13.116 0.411303 54.1703 3.52067 -24.6432 -1.46964 54.0595 -3.27213 -22.6401 TIMING: 122200 CPU: 383.983, 0.00311866/step Wall: 383.983, 0.00311866/step, 4.2256 hours remaining, 230.984375 MB of memory in use. ENERGY: 122200 4008.6158 20617.2450 14419.9100 252.3174 -202709.9582 2173.8334 0.0000 0.0000 52022.3058 -109215.7307 298.9729 -161238.0365 -108860.0246 299.8427 -147.5297 -115.3690 760450.0083 -11.5026 -11.3891 PRESSURE: 122400 36.6369 -130.924 -179.865 -130.923 -80.9418 69.5556 -179.865 69.555 26.7146 GPRESSURE: 122400 100.278 -112.611 -142.25 -72.4437 -117.919 80.0708 -85.9345 10.2691 56.6997 PRESSAVG: 122400 30.1872 27.0946 63.5781 27.0946 22.1139 -4.15493 63.578 -4.15506 29.5392 GPRESSAVG: 122400 29.1859 26.6241 63.9196 26.1433 21.9581 -5.73213 65.3409 -3.39027 30.4991 TIMING: 122400 CPU: 384.609, 0.00313188/step Wall: 384.609, 0.00313188/step, 4.24335 hours remaining, 230.984375 MB of memory in use. ENERGY: 122400 4053.7930 20496.5007 14519.6459 266.6065 -203138.2053 2427.2744 0.0000 0.0000 52275.9820 -109098.4028 300.4308 -161374.3849 -108735.9752 299.8179 -5.8634 13.0196 761043.8064 27.2801 27.2144 PRESSURE: 122600 -269.791 63.037 159.3 63.0353 -133.642 86.0742 159.3 86.0742 -447.508 GPRESSURE: 122600 -169.107 90.1093 121.148 -6.42 -140.39 72.461 127.007 159.378 -459.762 PRESSAVG: 122600 -35.2448 -6.31643 49.8867 -6.31641 32.0573 -16.8015 49.8868 -16.8015 -5.41211 GPRESSAVG: 122600 -33.2356 -5.77875 48.6122 -7.5165 31.522 -16.8046 49.8416 -17.0376 -6.70991 TIMING: 122600 CPU: 385.237, 0.00314012/step Wall: 385.237, 0.00314012/step, 4.25434 hours remaining, 230.984375 MB of memory in use. ENERGY: 122600 3997.6907 20420.4784 14488.4303 260.7682 -202856.5925 2251.4911 0.0000 0.0000 52198.5043 -109239.2294 299.9855 -161437.7338 -108879.8415 299.7548 -283.6471 -256.4197 763609.2796 -2.8665 -2.8078 PRESSURE: 122800 171.807 -176.471 -73.7873 -176.471 -137.006 192.108 -73.7868 192.108 42.9806 GPRESSURE: 122800 39.611 -148.669 85.2647 -189.623 -5.60486 234.826 -49.7596 191.253 116.538 PRESSAVG: 122800 33.8015 -41.8951 18.5983 -41.895 -10.1116 -7.20298 18.5983 -7.20302 1.69119 GPRESSAVG: 122800 32.2972 -42.9557 19.9257 -41.4985 -8.55562 -6.8048 16.4059 -5.50933 1.68315 TIMING: 122800 CPU: 385.865, 0.00313842/step Wall: 385.865, 0.00313841/step, 4.25185 hours remaining, 230.984375 MB of memory in use. ENERGY: 122800 4006.7395 20537.2072 14388.7619 257.4759 -203505.2396 2833.3293 0.0000 0.0000 52230.0399 -109251.6859 300.1668 -161481.7258 -108892.9518 300.0424 25.9275 50.1812 761939.3738 8.4604 8.4749 PRESSURE: 123000 268.617 -12.8853 300.534 -12.8859 260.485 -27.1085 300.533 -27.1086 485.578 GPRESSURE: 123000 394.93 -2.01867 358.795 60.0447 236.897 29.317 306.856 -49.1859 472.114 PRESSAVG: 123000 19.0576 -19.4931 39.3851 -19.4931 -29.6547 -19.8225 39.3852 -19.8225 -20.7844 GPRESSAVG: 123000 20.808 -17.8079 38.0846 -17.3724 -30.1297 -19.264 41.3154 -22.057 -21.536 TIMING: 123000 CPU: 386.494, 0.00314317/step Wall: 386.494, 0.00314317/step, 4.25813 hours remaining, 230.984375 MB of memory in use. ENERGY: 123000 4033.3320 20459.1686 14395.0551 263.4972 -203660.6266 2950.9678 0.0000 0.0000 52290.6639 -109267.9421 300.5152 -161558.6060 -108902.6156 300.3916 338.2268 367.9803 761078.6596 -10.4605 -10.2859 PRESSURE: 123200 -86.4284 29.2537 -42.2467 29.2543 -214.049 60.5856 -42.2472 60.5856 168.703 GPRESSURE: 123200 -64.4072 25.2623 -14.9474 44.569 -107.511 76.842 -78.9987 106.936 132.209 PRESSAVG: 123200 72.7521 39.257 54.9136 39.257 -67.6319 21.4276 54.9136 21.4276 0.518148 GPRESSAVG: 123200 72.6247 40.1467 55.4536 37.5944 -68.9516 21.3015 53.7029 22.5118 2.47577 TIMING: 123200 CPU: 387.119, 0.00312869/step Wall: 387.119, 0.00312869/step, 4.23833 hours remaining, 230.984375 MB of memory in use. ENERGY: 123200 3911.5459 20687.2365 14430.3961 242.9249 -203262.4026 2747.8700 0.0000 0.0000 52033.3122 -109209.1170 299.0362 -161242.4292 -108845.2557 299.7047 -43.9250 -13.2362 762678.3781 1.8794 2.0496 PRESSURE: 123400 -224.35 -137.035 91.5414 -137.036 -257.875 -15.7147 91.5413 -15.7159 -183.808 GPRESSURE: 123400 -311.784 -57.5059 177.858 -181.722 -135.94 -56.4249 71.1372 -125.115 -149.347 PRESSAVG: 123400 -6.34241 8.32969 15.4627 8.32967 27.4963 37.1956 15.4627 37.1957 -14.7621 GPRESSAVG: 123400 -6.43038 8.78407 15.2163 8.10446 28.8248 37.6471 15.108 36.6506 -16.1153 TIMING: 123400 CPU: 387.745, 0.00312642/step Wall: 387.745, 0.00312642/step, 4.23508 hours remaining, 230.984375 MB of memory in use. ENERGY: 123400 3991.0316 20416.8559 14479.8474 242.8592 -203082.3906 2596.3626 0.0000 0.0000 52172.6902 -109182.7436 299.8372 -161355.4338 -108811.6446 299.8722 -222.0112 -199.0237 761979.9117 2.1306 2.0930 PRESSURE: 123600 39.0971 -42.2767 94.7301 -42.2766 114.402 36.7704 94.7305 36.7689 232.412 GPRESSURE: 123600 48.3109 -75.5056 20.4577 -96.7504 261.742 80.6499 84.4247 95.5454 174.266 PRESSAVG: 123600 -1.78432 16.5085 61.2405 16.5085 -31.4248 -26.6256 61.2405 -26.6257 -2.17129 GPRESSAVG: 123600 -2.80501 12.6445 60.6574 17.069 -30.4693 -29.7344 61.6524 -23.22 -1.84374 TIMING: 123600 CPU: 388.372, 0.00313697/step Wall: 388.372, 0.00313698/step, 4.24921 hours remaining, 230.984375 MB of memory in use. ENERGY: 123600 3999.1605 20414.1206 14369.2476 252.3937 -203035.4667 2409.1849 0.0000 0.0000 52339.0658 -109252.2938 300.7933 -161591.3596 -108877.6095 300.0633 128.6370 161.4398 762793.6490 -11.7935 -11.7060 PRESSURE: 123800 -259.347 36.9877 62.6082 36.9871 -254.191 251.156 62.6088 251.157 170.217 GPRESSURE: 123800 -141.435 105.919 54.5021 -39.4154 -266.761 259.426 138.624 220.621 140.13 PRESSAVG: 123800 -33.6624 4.38937 72.7609 4.38937 18.4777 -10.3882 72.7608 -10.3883 7.96416 GPRESSAVG: 123800 -32.8303 6.60817 73.731 2.86226 16.2568 -9.1551 71.7667 -13.4405 8.68629 TIMING: 123800 CPU: 388.998, 0.00312922/step Wall: 388.998, 0.00312922/step, 4.23853 hours remaining, 230.984375 MB of memory in use. ENERGY: 123800 3980.4549 20518.8096 14443.2907 258.8618 -203302.4818 2431.9025 0.0000 0.0000 52324.4091 -109344.7532 300.7091 -161669.1623 -108981.1243 299.7285 -114.4403 -89.3550 762098.7869 -2.4069 -2.6291 PRESSURE: 124000 97.8466 -76.1933 -267.304 -76.1926 137.564 -109.891 -267.304 -109.892 193.333 GPRESSURE: 124000 170.337 1.53464 -232.716 -35.9894 145.609 -25.9626 -264.037 21.9999 185.003 PRESSAVG: 124000 16.7749 -75.676 14.8612 -75.676 -26.8928 50.6286 14.8613 50.6286 -19.8321 GPRESSAVG: 124000 17.1093 -74.386 15.5909 -75.7692 -26.4754 51.2332 15.3256 50.5454 -20.9228 TIMING: 124000 CPU: 389.627, 0.00314613/step Wall: 389.627, 0.00314613/step, 4.26126 hours remaining, 230.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 124000 4003.1740 20602.3836 14446.9655 256.7727 -203475.8548 2796.7172 0.0000 0.0000 51921.7792 -109448.0627 298.3952 -161369.8419 -109092.9727 299.5811 142.9147 166.9831 760473.5441 -9.9834 -10.0963 PRESSURE: 124200 -353.734 -214.272 155.28 -214.272 192.876 154.436 155.28 154.435 -285.511 GPRESSURE: 124200 -233.497 -115.21 198.077 -214.464 216.667 173.532 53.2417 0.958991 -351.983 PRESSAVG: 124200 35.0811 14.7742 31.4097 14.7742 -22.4801 -26.5675 31.4097 -26.5675 6.42159 GPRESSAVG: 124200 34.1575 12.5043 30.0978 15.8401 -22.3402 -26.5007 33.613 -25.1763 7.08384 TIMING: 124200 CPU: 390.255, 0.00313801/step Wall: 390.255, 0.00313801/step, 4.25009 hours remaining, 230.984375 MB of memory in use. ENERGY: 124200 4054.6230 20563.9337 14446.3278 235.2908 -203463.3127 2510.0169 0.0000 0.0000 52048.0338 -109605.0867 299.1208 -161653.1205 -109238.5800 299.0630 -148.7898 -122.9377 760880.3145 6.3409 6.3004 LDB: ============= START OF LOAD BALANCING ============== 402.651 LDB: ============== END OF LOAD BALANCING =============== 402.652 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 402.653 LDB: ============= START OF LOAD BALANCING ============== 402.968 LDB: Largest compute 7067 load 0.033604 is 17.2% of average load 0.195478 LDB: Average compute 0.004373 is 2.2% of average load 0.195478 LDB: TIME 402.972 LOAD: AVG 0.195478 MAX 0.216622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.496 MB LDB: TIME 402.972 LOAD: AVG 0.195478 MAX 0.216622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: TIME 402.972 LOAD: AVG 0.195478 MAX 0.216622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 402.974 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 402.979 PRESSURE: 124400 -187.935 -38.083 49.7639 -38.0827 -43.5501 17.2127 49.7638 17.2128 123.089 GPRESSURE: 124400 -185.025 -124.861 143.553 -49.1978 79.481 10.634 -40.9518 -54.1722 81.3967 PRESSAVG: 124400 72.6492 -0.870997 -13.5286 -0.871051 -112.407 11.7454 -13.5287 11.7455 -19.4633 GPRESSAVG: 124400 72.1704 -0.124189 -11.1705 -1.75743 -111.339 11.7294 -16.7436 10.0766 -20.1383 TIMING: 124400 CPU: 390.896, 0.00320709/step Wall: 390.896, 0.00320709/step, 4.34346 hours remaining, 231.496094 MB of memory in use. ENERGY: 124400 3992.5762 20336.1836 14418.1693 227.5178 -203152.5995 2601.7140 0.0000 0.0000 52062.8929 -109513.5458 299.2062 -161576.4387 -109148.5981 298.9578 -36.1321 -8.0490 762605.6060 -19.7403 -19.7690 PRESSURE: 124600 282.544 98.7286 -186.358 98.7282 -330.133 -22.2733 -186.358 -22.2729 12.4322 GPRESSURE: 124600 272.968 24.6462 -132.545 142.657 -221.475 6.4455 -134.361 -46.6214 5.89489 PRESSAVG: 124600 43.1438 24.4951 60.4928 24.495 -57.2254 39.0037 60.4928 39.0037 18.8729 GPRESSAVG: 124600 45.0512 25.3334 58.3969 25.9246 -59.2893 36.4552 62.9736 40.7474 19.4288 TIMING: 124600 CPU: 391.523, 0.00313259/step Wall: 391.523, 0.00313259/step, 4.2424 hours remaining, 231.699219 MB of memory in use. ENERGY: 124600 4024.5021 20439.9345 14444.4239 222.9851 -203388.8229 2657.9636 0.0000 0.0000 52134.8801 -109464.1335 299.6199 -161599.0136 -109100.2104 299.0479 -11.7187 19.1294 761747.4204 1.5971 1.7302 PRESSURE: 124800 39.9525 3.28393 -90.9477 3.28354 -152.532 1.88701 -90.9479 1.88705 -96.3459 GPRESSURE: 124800 -38.7962 6.46007 -116.097 -67.7921 -23.3607 140.684 -68.5383 -70.8259 -64.539 PRESSAVG: 124800 27.2401 13.7117 1.1775 13.7118 -29.8475 34.7322 1.17749 34.7323 -4.3364 GPRESSAVG: 124800 25.4616 10.9633 3.14109 13.4366 -28.1591 37.2267 -0.663019 34.6146 -4.08648 TIMING: 124800 CPU: 392.148, 0.00312812/step Wall: 392.148, 0.00312812/step, 4.23618 hours remaining, 231.699219 MB of memory in use. ENERGY: 124800 3989.3780 20514.5134 14484.3107 249.5626 -203605.7350 2841.0128 0.0000 0.0000 51985.1434 -109541.8142 298.7593 -161526.9575 -109185.5456 299.0814 -69.6420 -42.2320 761338.0267 -2.3146 -2.2613 PRESSURE: 125000 -182.966 -137.892 203.497 -137.892 -415.734 0.299679 203.497 0.299007 -380.4 GPRESSURE: 125000 -154.548 -184.869 266.707 -60.4608 -377.872 -36.2991 142.043 -13.7991 -369.498 PRESSAVG: 125000 15.6656 4.21462 -7.67587 4.2146 -67.8632 -1.48263 -7.67592 -1.48265 14.645 GPRESSAVG: 125000 16.5389 5.17109 -9.33793 5.5211 -68.4828 -2.28057 -5.54632 -1.51482 15.172 TIMING: 125000 CPU: 392.773, 0.00312202/step Wall: 392.773, 0.00312202/step, 4.22774 hours remaining, 231.699219 MB of memory in use. ENERGY: 125000 3960.9409 20604.2523 14441.8314 248.5536 -203529.6029 2629.4703 0.0000 0.0000 52132.3056 -109512.2487 299.6051 -161644.5543 -109150.7097 299.3446 -326.3667 -300.6394 761554.9463 -12.5175 -12.2573 PRESSURE: 125200 -5.93859 -82.6401 -23.1828 -82.6407 -245.866 -47.2139 -23.1827 -47.2145 -224.433 GPRESSURE: 125200 77.7096 18.8806 -48.751 -74.8049 -200.922 -51.0392 -36.0238 -2.79339 -269.111 PRESSAVG: 125200 -13.5411 -33.5031 17.389 -33.5032 -9.21298 0.196462 17.389 0.196481 17.7319 GPRESSAVG: 125200 -13.4374 -30.186 17.925 -35.9789 -8.12209 -0.157312 15.1406 -1.80712 16.9762 TIMING: 125200 CPU: 393.402, 0.00314812/step Wall: 393.402, 0.00314812/step, 4.2629 hours remaining, 231.699219 MB of memory in use. ENERGY: 125200 4023.9109 20487.3866 14352.8339 233.6901 -203255.6473 2753.9778 0.0000 0.0000 51955.0335 -109448.8144 298.5863 -161403.8480 -109096.1546 299.1323 -158.7459 -130.7743 762338.4059 -1.6741 -1.5278 PRESSURE: 125400 247.423 202.765 -241.118 202.764 -299.658 46.4244 -241.119 46.4255 -489.014 GPRESSURE: 125400 237.504 193.846 -292.061 139.264 -216.737 61.9809 -202.995 7.65302 -473.79 PRESSAVG: 125400 28.8006 35.4366 -1.41729 35.4366 -59.6671 46.8644 -1.41723 46.8643 -20.4132 GPRESSAVG: 125400 28.7988 32.8132 -2.86793 36.3553 -59.6084 46.3944 0.273078 47.6457 -20.2184 TIMING: 125400 CPU: 394.03, 0.00314139/step Wall: 394.03, 0.00314139/step, 4.25362 hours remaining, 231.699219 MB of memory in use. ENERGY: 125400 3978.7829 20449.2069 14369.8286 248.6852 -203036.7962 2401.4690 0.0000 0.0000 52199.2801 -109389.5434 299.9900 -161588.8235 -109015.7807 299.5283 -180.4162 -151.0076 763624.8118 -17.0932 -17.0093 PRESSURE: 125600 239.571 30.8716 38.1251 30.8715 -200.069 317.013 38.1243 317.013 419.142 GPRESSURE: 125600 284.013 194.357 58.0824 -89.9612 -123.675 361.684 23.6811 331.347 354.786 PRESSAVG: 125600 5.15614 38.5737 20.1499 38.5737 -13.485 15.3193 20.1499 15.3193 23.533 GPRESSAVG: 125600 5.52326 38.9153 21.8863 37.2919 -14.1183 16.491 17.8677 16.0054 22.9763 TIMING: 125600 CPU: 394.659, 0.00314266/step Wall: 394.659, 0.00314266/step, 4.25516 hours remaining, 231.687500 MB of memory in use. ENERGY: 125600 3996.0244 20520.1061 14401.3285 256.1877 -203785.4936 2741.4300 0.0000 0.0000 52291.1624 -109579.2546 300.5180 -161870.4170 -109221.8283 299.5989 152.8815 171.7080 761409.2067 5.0681 4.7938 PRESSURE: 125800 39.2669 -130.215 -31.0703 -130.214 -559.604 12.0008 -31.0697 12.0015 176.256 GPRESSURE: 125800 -17.3664 -202.434 -18.2548 -100.387 -461.836 11.6031 58.84 120.151 234.496 PRESSAVG: 125800 21.8441 25.2033 47.7861 25.2034 -39.4673 -15.3899 47.7862 -15.3898 -9.56205 GPRESSAVG: 125800 21.6129 24.7876 47.6832 24.3697 -38.6858 -15.6941 49.0724 -15.4239 -9.88525 TIMING: 125800 CPU: 395.287, 0.00313962/step Wall: 395.287, 0.00313962/step, 4.25087 hours remaining, 231.699219 MB of memory in use. ENERGY: 125800 4063.3180 20515.0588 14448.8642 244.7099 -203490.4879 2535.5698 0.0000 0.0000 52111.2187 -109571.7485 299.4839 -161682.9672 -109199.8872 300.0366 -114.6938 -81.5690 761318.0274 -9.0618 -8.9861 PRESSURE: 126000 -231.697 70.0049 -40.4763 70.0063 -105.008 29.8625 -40.4773 29.8621 -250.196 GPRESSURE: 126000 -209.976 67.6141 -21.9673 -57.6443 -76.6031 77.9265 -8.06792 155.866 -227.121 PRESSAVG: 126000 24.034 -7.93422 -7.45988 -7.93422 -36.4668 -14.2613 -7.45982 -14.2614 -6.1254 GPRESSAVG: 126000 22.8648 -6.6719 -7.63747 -8.93033 -37.5691 -14.3224 -8.41152 -15.6276 -3.84545 TIMING: 126000 CPU: 395.917, 0.00314967/step Wall: 395.917, 0.00314967/step, 4.26431 hours remaining, 231.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 126000 4071.6254 20604.1745 14451.4613 217.7428 -203285.9248 2469.5225 0.0000 0.0000 51822.1110 -109649.2874 297.8224 -161471.3983 -109293.3847 298.8933 -195.6336 -171.2333 761793.2936 -6.1861 -6.1832 PRESSURE: 126200 -125.144 -84.1773 174.176 -84.1768 163.211 -47.7331 174.176 -47.7333 167.231 GPRESSURE: 126200 -10.4736 -20.8067 329.713 -103.81 127.019 -87.7498 -20.4958 -8.11393 182.284 PRESSAVG: 126200 25.252 -40.5358 58.7082 -40.5358 3.8172 -39.2476 58.7082 -39.2476 5.77748 GPRESSAVG: 126200 26.9227 -40.5891 59.8778 -38.8634 4.4003 -39.7425 59.4907 -39.513 3.65737 TIMING: 126200 CPU: 396.547, 0.00315152/step Wall: 396.547, 0.00315152/step, 4.26663 hours remaining, 231.699219 MB of memory in use. ENERGY: 126200 3954.1942 20491.1372 14491.7592 253.7595 -203685.9544 2714.3097 0.0000 0.0000 52153.9516 -109626.8430 299.7295 -161780.7946 -109246.9229 299.2947 68.4330 99.6098 760109.5008 11.6156 11.6601 PRESSURE: 126400 -59.4177 36.011 40.5346 36.0121 147.308 -156.748 40.535 -156.746 43.2749 GPRESSURE: 126400 -8.02571 54.4488 -19.7793 -40.2155 119.466 -195.599 71.8794 -166.575 102.08 PRESSAVG: 126400 7.40306 0.38186 18.2218 0.381874 -41.2058 -30.2133 18.2217 -30.2134 8.20088 GPRESSAVG: 126400 6.60582 0.438602 17.4323 1.42583 -41.2489 -30.8337 17.9543 -28.2046 8.28739 TIMING: 126400 CPU: 397.178, 0.00315433/step Wall: 397.178, 0.00315433/step, 4.27026 hours remaining, 231.699219 MB of memory in use. ENERGY: 126400 4010.8201 20528.7802 14558.2575 260.6957 -203866.7931 2680.2566 0.0000 0.0000 52152.2944 -109675.6887 299.7200 -161827.9830 -109309.1422 299.2167 43.7217 71.1732 759589.5804 -8.5340 -8.7852 PRESSURE: 126600 -33.5871 66.5161 145.69 66.5162 -292.269 -119.054 145.69 -119.054 234.721 GPRESSURE: 126600 -10.0845 181.456 208.475 58.4703 -273.243 -204.184 213.53 14.7439 268.316 PRESSAVG: 126600 10.1583 20.9215 27.1292 20.9215 -6.21659 -88.6017 27.1291 -88.6016 10.9308 GPRESSAVG: 126600 10.6289 19.2275 28.1244 20.6418 -6.54081 -88.7994 26.0613 -87.5479 10.1235 TIMING: 126600 CPU: 397.809, 0.00315268/step Wall: 397.809, 0.00315267/step, 4.26785 hours remaining, 231.699219 MB of memory in use. ENERGY: 126600 4091.0145 20660.4819 14518.2868 241.4104 -203233.4001 2334.6703 0.0000 0.0000 51979.6368 -109407.8995 298.7277 -161387.5363 -109041.7222 299.6899 -30.3782 -5.0035 759295.2558 4.9575 4.7372 PRESSURE: 126800 262.503 88.0848 -50.5385 88.0851 316.488 83.2749 -50.5383 83.275 -21.9579 GPRESSURE: 126800 305.494 163.855 51.4475 33.9222 289.281 91.3725 -135.474 55.834 34.8337 PRESSAVG: 126800 7.88664 24.4198 -22.4465 24.4197 20.0235 -42.2209 -22.4466 -42.2209 18.1752 GPRESSAVG: 126800 6.69658 24.2875 -22.9354 24.4793 20.9243 -41.7234 -20.1641 -43.5156 18.7623 TIMING: 126800 CPU: 398.438, 0.00314528/step Wall: 398.438, 0.00314528/step, 4.25766 hours remaining, 231.699219 MB of memory in use. ENERGY: 126800 3915.1324 20618.1011 14489.2334 250.0458 -203371.3755 2583.9136 0.0000 0.0000 52056.9347 -109458.0145 299.1719 -161514.9492 -109093.0502 299.5596 185.6776 209.8695 759963.9578 15.3618 15.4610 PRESSURE: 127000 148.039 75.7009 56.0617 75.7006 -14.9009 -227.28 56.0611 -227.281 -302.74 GPRESSURE: 127000 161.373 106.273 52.4464 60.6529 -10.0757 -285.791 56.9525 -248.7 -240.569 PRESSAVG: 127000 5.99296 -2.89328 -6.14549 -2.89328 -9.3169 -76.9035 -6.14556 -76.9037 6.29317 GPRESSAVG: 127000 6.57154 -0.486644 -7.14216 -3.88053 -10.2323 -75.9145 -8.5928 -77.0046 7.18072 TIMING: 127000 CPU: 399.068, 0.00314938/step Wall: 399.068, 0.00314938/step, 4.26303 hours remaining, 231.699219 MB of memory in use. ENERGY: 127000 3927.2783 20694.8288 14413.9593 237.8041 -203554.9164 2743.4363 0.0000 0.0000 52099.4156 -109438.1939 299.4161 -161537.6096 -109080.3342 299.1078 -56.5339 -29.7572 762242.9437 0.9897 1.1733 PRESSURE: 127200 185.165 -9.11177 -139.114 -9.11184 -289.614 -151.473 -139.115 -151.473 -162.263 GPRESSURE: 127200 203.789 -10.2105 -43.5134 144.9 -192.84 -151.807 -123.902 -110.997 -185.551 PRESSAVG: 127200 22.8507 19.5853 -2.35244 19.5853 -5.41377 -42.7499 -2.35244 -42.7498 4.20782 GPRESSAVG: 127200 23.3181 16.4443 -1.6825 19.2533 -4.2361 -43.1629 -2.68417 -43.3436 3.12505 TIMING: 127200 CPU: 399.699, 0.00315743/step Wall: 399.699, 0.00315743/step, 4.27376 hours remaining, 231.699219 MB of memory in use. ENERGY: 127200 4050.2084 20503.2238 14426.9117 233.7930 -203420.6816 2623.0192 0.0000 0.0000 51975.5789 -109607.9465 298.7044 -161583.5254 -109243.1700 299.0134 -88.9039 -58.2008 760319.7835 7.2149 7.4023 PRESSURE: 127400 59.9193 -36.5295 231.012 -36.5296 -12.8287 -129.627 231.013 -129.626 -356.622 GPRESSURE: 127400 89.5694 -102.226 228.825 66.6417 -36.5202 -106.913 200.723 -87.5282 -261.677 PRESSAVG: 127400 -11.675 -0.796464 -27.9985 -0.796493 18.3003 -38.8374 -27.9985 -38.8373 23.164 GPRESSAVG: 127400 -13.409 -0.0422545 -29.0653 -0.36875 18.5265 -38.1143 -26.0091 -39.099 24.5594 TIMING: 127400 CPU: 400.328, 0.00314561/step Wall: 400.328, 0.00314561/step, 4.25758 hours remaining, 231.699219 MB of memory in use. ENERGY: 127400 3983.8176 20672.0026 14458.5208 274.0932 -203425.2559 2636.4255 0.0000 0.0000 52049.0226 -109351.3735 299.1264 -161400.3962 -108989.3434 299.5537 -103.1770 -69.5427 759957.1032 9.9298 9.8923 PRESSURE: 127600 71.9989 56.9155 -2.11544 56.9164 -43.3155 -5.71238 -2.11517 -5.71248 341.791 GPRESSURE: 127600 158.731 -45.9277 -33.9898 43.0197 -36.1475 -41.3759 -14.1415 -31.523 349.78 PRESSAVG: 127600 -42.9732 -26.7427 -79.6518 -26.7427 31.5912 -13.3226 -79.6518 -13.3226 -20.9799 GPRESSAVG: 127600 -41.6768 -28.6967 -79.8043 -26.1639 30.9668 -12.5298 -77.6372 -13.2023 -21.7602 TIMING: 127600 CPU: 400.962, 0.00316907/step Wall: 400.962, 0.00316907/step, 4.28916 hours remaining, 231.699219 MB of memory in use. ENERGY: 127600 3982.5503 20526.5714 14500.0460 239.4303 -203362.2241 2514.6011 0.0000 0.0000 52363.7711 -109235.2537 300.9353 -161599.0249 -108858.8821 299.8500 123.4913 157.4547 759596.8049 -10.7873 -10.8234 PRESSURE: 127800 -379.487 -130.358 60.7828 -130.358 -65.7679 -203.257 60.7834 -203.258 289.732 GPRESSURE: 127800 -320.426 -66.7415 -77.4145 -134.552 -74.6158 -180.478 71.5151 -181.372 312.324 PRESSAVG: 127800 -16.0368 35.1436 -39.9416 35.1436 -1.37827 -33.7469 -39.9416 -33.7468 -13.5127 GPRESSAVG: 127800 -16.4975 35.9261 -38.3849 34.0454 -2.24228 -35.0359 -41.7789 -34.2485 -12.779 TIMING: 127800 CPU: 401.592, 0.00314947/step Wall: 401.592, 0.00314948/step, 4.26246 hours remaining, 231.699219 MB of memory in use. ENERGY: 127800 4036.5539 20514.6123 14524.8653 268.7650 -203340.9147 2560.0280 0.0000 0.0000 52193.0802 -109243.0101 299.9543 -161436.0903 -108878.1116 300.2168 -51.8410 -27.5727 759890.5220 -10.3093 -10.5063 PRESSURE: 128000 -446.562 -63.3193 -69.2555 -63.3193 -125.875 -133.546 -69.2553 -133.545 -745.86 GPRESSURE: 128000 -382.922 33.4689 -101.15 60.0579 -167.553 -106.008 6.7146 -89.5696 -650.878 PRESSAVG: 128000 27.4063 0.470668 -7.82073 0.470607 -25.6359 -20.7646 -7.82073 -20.7647 29.5977 GPRESSAVG: 128000 27.0877 4.11165 -9.07239 -0.0613341 -24.7043 -21.9406 -9.06343 -20.8012 29.3257 TIMING: 128000 CPU: 402.223, 0.00315621/step Wall: 402.223, 0.00315621/step, 4.2714 hours remaining, 231.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 128000 4036.5061 20648.5211 14449.8308 218.4262 -203328.4373 2273.9458 0.0000 0.0000 52318.9528 -109382.2545 300.6777 -161701.2073 -109016.7960 299.9857 -439.4321 -400.4509 760545.7124 10.4560 10.5697 PRESSURE: 128200 -30.1118 15.3269 211.586 15.3266 -111.453 -14.1366 211.586 -14.1358 54.7533 GPRESSURE: 128200 -105.345 -51.2467 346.456 62.8135 63.8674 -24.1641 78.4375 -96.7852 58.1411 PRESSAVG: 128200 3.26946 -50.2363 4.27787 -50.2363 -20.528 -25.1568 4.27795 -25.1567 -14.8305 GPRESSAVG: 128200 3.41539 -50.2664 5.0858 -49.8376 -20.3087 -26.8832 4.94061 -23.4244 -15.3171 TIMING: 128200 CPU: 402.853, 0.00315149/step Wall: 402.853, 0.00315149/step, 4.26483 hours remaining, 231.699219 MB of memory in use. ENERGY: 128200 3983.5795 20645.4556 14508.8685 282.1144 -203464.0472 2646.5632 0.0000 0.0000 52055.6662 -109341.7998 299.1646 -161397.4660 -108977.4784 299.4447 -28.9373 5.5546 760442.7217 -10.6963 -10.7368 LDB: ============= START OF LOAD BALANCING ============== 415.251 LDB: ============== END OF LOAD BALANCING =============== 415.252 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 415.253 LDB: ============= START OF LOAD BALANCING ============== 415.57 LDB: Largest compute 7025 load 0.035255 is 18.0% of average load 0.195578 LDB: Average compute 0.004396 is 2.2% of average load 0.195578 LDB: TIME 415.573 LOAD: AVG 0.195578 MAX 0.218333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.496 MB LDB: TIME 415.574 LOAD: AVG 0.195578 MAX 0.218333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: TIME 415.574 LOAD: AVG 0.195578 MAX 0.218333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: ============== END OF LOAD BALANCING =============== 415.576 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 415.581 PRESSURE: 128400 277.986 -139.324 127.68 -139.323 25.9281 165.261 127.68 165.261 -19.9434 GPRESSURE: 128400 298.723 -52.0779 93.4058 -235.552 114.284 48.4034 124.758 82.7955 -49.6016 PRESSAVG: 128400 -12.7452 -25.4362 20.8814 -25.4362 -6.77445 -9.8556 20.8814 -9.85561 -7.76257 GPRESSAVG: 128400 -12.5118 -26.382 20.7056 -24.6626 -7.3169 -7.71761 18.8897 -11.7627 -7.33122 TIMING: 128400 CPU: 403.498, 0.00322273/step Wall: 403.498, 0.00322273/step, 4.36107 hours remaining, 233.546875 MB of memory in use. ENERGY: 128400 3943.2652 20724.8093 14415.6966 256.8100 -203703.3131 2751.8747 0.0000 0.0000 52282.6293 -109328.2279 300.4690 -161610.8572 -108973.6758 300.1595 94.6568 121.1351 760184.2683 -9.0941 -9.0533 PRESSURE: 128600 424.231 29.6119 -55.3214 29.6113 5.75071 2.11781 -55.3209 2.11769 -128.28 GPRESSURE: 128600 357.065 -128.589 -106.786 154.017 77.8844 9.1886 -46.6406 -17.509 -61.4179 PRESSAVG: 128600 93.7239 -35.973 7.01432 -35.9731 -75.8116 -24.425 7.01438 -24.4249 11.6039 GPRESSAVG: 128600 92.961 -37.1055 9.16462 -36.6917 -75.8412 -23.583 7.30398 -25.7361 12.8675 TIMING: 128600 CPU: 404.126, 0.00314244/step Wall: 404.126, 0.00314244/step, 4.25225 hours remaining, 233.613281 MB of memory in use. ENERGY: 128600 4011.2715 20645.9707 14505.0173 257.0158 -203902.2528 2932.6969 0.0000 0.0000 52248.3469 -109301.9336 300.2720 -161550.2805 -108936.6771 300.1385 100.5671 124.5104 760501.3090 9.8387 9.9957 PRESSURE: 128800 485.576 -56.4325 73.8949 -56.4328 178.893 198.847 73.8958 198.848 103.939 GPRESSURE: 128800 409.185 74.3668 163.637 -92.362 235.063 235.233 90.9355 271.629 214.154 PRESSAVG: 128800 42.898 -20.4044 56.3364 -20.4044 -32.148 -35.8654 56.3364 -35.8654 -5.45309 GPRESSAVG: 128800 43.678 -20.364 56.0851 -18.8124 -32.1328 -37.068 57.6605 -34.188 -6.40501 TIMING: 128800 CPU: 404.755, 0.00314237/step Wall: 404.755, 0.00314237/step, 4.25198 hours remaining, 233.613281 MB of memory in use. ENERGY: 128800 3977.9917 20669.4694 14526.1242 237.5436 -203803.1133 2858.2512 0.0000 0.0000 52340.6118 -109193.1215 300.8022 -161533.7333 -108830.9806 300.2908 256.1356 286.1340 759442.8960 1.7656 1.7134 PRESSURE: 129000 -74.7369 -82.2649 261.763 -82.2645 119.284 -20.5872 261.763 -20.5861 -17.6643 GPRESSURE: 129000 -44.4448 -97.0779 157.722 -145.981 212.689 20.0504 268.968 -129.192 -63.6671 PRESSAVG: 129000 13.0116 7.78531 -5.94186 7.78522 21.1463 0.409767 -5.94186 0.409836 1.33924 GPRESSAVG: 129000 12.9973 8.91607 -6.54518 6.10142 22.1664 2.06647 -6.54742 -0.184823 0.457351 TIMING: 129000 CPU: 405.386, 0.00315781/step Wall: 405.386, 0.00315781/step, 4.27269 hours remaining, 233.613281 MB of memory in use. ENERGY: 129000 4085.6991 20684.5524 14441.5025 246.0402 -203140.7585 2391.1939 0.0000 0.0000 52149.6553 -109142.1149 299.7048 -161291.7703 -108775.1088 300.3890 8.9609 34.8590 760580.9255 11.8324 11.8737 PRESSURE: 129200 -74.7996 -70.2542 -96.0011 -70.254 107.177 48.1729 -96.0016 48.1733 -43.6993 GPRESSURE: 129200 -69.7853 -188.383 -108.974 -65.6825 74.9119 -2.48057 -131.187 82.8606 43.7653 PRESSAVG: 129200 -9.9822 -10.26 34.8202 -10.2599 -26.6059 27.7257 34.8203 27.7257 -6.74985 GPRESSAVG: 129200 -10.1462 -9.55886 34.8742 -11.7379 -26.9538 27.269 35.7826 28.2817 -7.17555 TIMING: 129200 CPU: 406.016, 0.00314914/step Wall: 406.016, 0.00314914/step, 4.26079 hours remaining, 233.613281 MB of memory in use. ENERGY: 129200 4067.9572 20663.6312 14479.7639 250.8730 -203478.0893 2457.2032 0.0000 0.0000 52328.7326 -109229.9282 300.7339 -161558.6609 -108859.8912 300.3532 -3.7739 16.2973 760271.8865 -14.4460 -14.7585 PRESSURE: 129400 -295.471 55.1393 -249.528 55.1394 42.907 -169.542 -249.527 -169.541 329.1 GPRESSURE: 129400 -184.216 23.2217 -235.758 103.573 73.5603 -171.66 -223.2 -151.819 299.544 PRESSAVG: 129400 -5.41811 3.5662 -5.01672 3.56624 45.7838 28.98 -5.01667 28.98 -12.4996 GPRESSAVG: 129400 -5.03859 1.85432 -3.6593 4.91018 45.2841 29.1008 -6.25943 29.0199 -11.7452 TIMING: 129400 CPU: 406.646, 0.00315058/step Wall: 406.646, 0.00315058/step, 4.26256 hours remaining, 233.613281 MB of memory in use. ENERGY: 129400 3936.3126 20591.5247 14531.8224 252.8687 -203577.8786 2642.2028 0.0000 0.0000 52463.4006 -109159.7469 301.5079 -161623.1475 -108778.4739 300.9419 25.5121 62.9628 760694.8227 9.2887 9.5001 PRESSURE: 129600 -420.708 -87.6546 -107.611 -87.6538 4.47749 -119.526 -107.61 -119.527 -24.6223 GPRESSURE: 129600 -436.423 -160.662 -196.749 -142.324 68.4479 -68.1616 -130.964 -162.834 23.4585 PRESSAVG: 129600 -31.8881 -19.0704 -25.9232 -19.0704 4.79734 -30.4791 -25.9232 -30.4791 7.48251 GPRESSAVG: 129600 -32.7584 -18.6085 -27.1559 -19.0018 5.55528 -30.3296 -25.2028 -32.174 7.94088 TIMING: 129600 CPU: 407.275, 0.00314313/step Wall: 407.275, 0.00314313/step, 4.25231 hours remaining, 233.613281 MB of memory in use. ENERGY: 129600 3983.6495 20675.8543 14519.3178 270.3857 -203833.3294 2978.1584 0.0000 0.0000 52166.3902 -109239.5737 299.8010 -161405.9639 -108877.8847 300.2964 -146.9511 -114.8390 761285.2183 -6.5361 -6.4207 PRESSURE: 129800 294.306 34.3573 -31.0428 34.3576 -179.608 -40.6586 -31.0422 -40.6587 -111.097 GPRESSURE: 129800 266.936 33.9319 -44.7015 5.27087 -89.1117 57.2344 30.0169 -32.2418 -85.6596 PRESSAVG: 129800 40.3445 -42.0082 -37.8491 -42.0082 -3.45044 11.8807 -37.8491 11.8806 9.56341 GPRESSAVG: 129800 41.448 -41.9887 -37.2181 -40.4531 -4.09821 13.0209 -39.6559 12.0649 8.98261 TIMING: 129800 CPU: 407.905, 0.00314825/step Wall: 407.905, 0.00314825/step, 4.25906 hours remaining, 233.613281 MB of memory in use. ENERGY: 129800 3993.8127 20605.0947 14523.4742 247.1530 -203094.1299 2299.2707 0.0000 0.0000 52271.6408 -109153.6839 300.4058 -161425.3247 -108777.0027 299.8087 1.2002 30.7214 760946.6796 15.4858 15.4441 PRESSURE: 130000 -195.823 55.5152 86.0479 55.515 -245.247 54.2674 86.0483 54.2684 -76.668 GPRESSURE: 130000 -163.491 8.28186 90.7296 82.9178 -196.239 96.8444 91.9373 -58.0852 -92.005 PRESSAVG: 130000 68.9843 -34.5536 2.93702 -34.5536 -38.6616 -12.8468 2.93704 -12.8467 18.6095 GPRESSAVG: 130000 68.0206 -33.5646 2.46992 -35.4942 -39.1551 -13.1621 2.69681 -13.769 19.2477 TIMING: 130000 CPU: 408.535, 0.00315069/step Wall: 408.535, 0.00315069/step, 4.26218 hours remaining, 233.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 130000 4008.2537 20652.7290 14494.3550 252.4316 -203291.9087 2533.9597 0.0000 0.0000 52158.7872 -109191.3925 299.7573 -161350.1797 -108835.7863 300.1000 -172.5794 -150.5781 760908.0366 16.3107 16.0377 PRESSURE: 130200 -307.861 -244.257 -68.0277 -244.257 -305.756 -57.6647 -68.0287 -57.6655 -238.223 GPRESSURE: 130200 -268.109 -145.089 -146.819 -236.077 -246.655 -47.6055 -2.61129 27.9338 -274.732 PRESSAVG: 130200 42.7032 6.63769 -50.07 6.63768 -19.4981 -32.2201 -50.0701 -32.2201 11.0043 GPRESSAVG: 130200 42.1221 6.24146 -48.8715 5.44242 -18.8651 -33.9376 -48.0737 -30.0488 10.9301 TIMING: 130200 CPU: 409.165, 0.00315033/step Wall: 409.165, 0.00315033/step, 4.26152 hours remaining, 233.613281 MB of memory in use. ENERGY: 130200 3994.6753 20408.9899 14495.9555 237.7160 -203203.1038 2470.6119 0.0000 0.0000 52326.4407 -109268.7146 300.7208 -161595.1554 -108898.1761 300.1632 -283.9467 -263.1654 761782.1769 11.4031 11.3957 PRESSURE: 130400 23.814 108.261 -104.779 108.261 105.588 165.652 -104.779 165.651 294.061 GPRESSURE: 130400 91.3734 63.1058 -109.782 168.429 116.823 87.1324 6.89302 120.325 303.241 PRESSAVG: 130400 -20.5214 18.8698 6.50796 18.8698 -19.3025 27.123 6.50791 27.123 24.7315 GPRESSAVG: 130400 -19.73 19.0947 6.85677 18.554 -19.1672 28.077 4.31223 25.7535 24.3088 TIMING: 130400 CPU: 409.794, 0.00314801/step Wall: 409.794, 0.00314801/step, 4.25821 hours remaining, 233.613281 MB of memory in use. ENERGY: 130400 4093.6173 20591.9216 14546.9883 240.2291 -203490.0032 2763.1797 0.0000 0.0000 52138.4389 -109115.6284 299.6403 -161254.0673 -108753.6823 300.0397 141.1543 170.4791 761459.4173 -5.0308 -4.8628 PRESSURE: 130600 26.1095 136.279 198.481 136.279 40.4861 -262.439 198.481 -262.439 -136.785 GPRESSURE: 130600 56.6536 -56.5914 192.284 133.647 76.9683 -315.498 136.196 -188.252 -104.8 PRESSAVG: 130600 30.481 19.3023 8.92996 19.3022 8.37617 -3.19148 8.92994 -3.19148 20.462 GPRESSAVG: 130600 29.9354 17.2755 9.03562 21.4565 8.11139 -2.47032 9.84561 -0.422208 21.8915 TIMING: 130600 CPU: 410.423, 0.00314086/step Wall: 410.423, 0.00314086/step, 4.24837 hours remaining, 233.613281 MB of memory in use. ENERGY: 130600 4055.2776 20582.6665 14461.9765 254.3126 -202804.7549 2275.8494 0.0000 0.0000 52010.9871 -109163.6851 298.9079 -161174.6722 -108796.2517 300.5756 -23.3965 9.6073 761546.6116 19.7730 19.9794 PRESSURE: 130800 -63.2742 -50.3536 -60.3529 -50.3539 -157.21 54.558 -60.3526 54.5585 104.156 GPRESSURE: 130800 -68.5894 -141.559 -99.7753 -10.5744 -118.9 17.0911 -55.9354 -22.5698 151.897 PRESSAVG: 130800 -4.00532 31.7594 0.666194 31.7595 -18.4161 -44.1985 0.666119 -44.1984 -25.5003 GPRESSAVG: 130800 -3.49429 32.1942 -2.36449 30.1818 -18.5881 -45.2739 2.83313 -45.9289 -26.1379 TIMING: 130800 CPU: 411.055, 0.00316199/step Wall: 411.055, 0.00316199/step, 4.27677 hours remaining, 233.613281 MB of memory in use. ENERGY: 130800 4015.8181 20407.4708 14489.3614 238.4950 -202675.8748 2350.4251 0.0000 0.0000 52027.3861 -109146.9184 299.0021 -161174.3045 -108778.6460 300.4125 -38.7759 -11.8641 762443.0388 -15.9739 -16.0734 PRESSURE: 131000 161.212 -49.3829 60.293 -49.3837 -82.187 -67.1365 60.2933 -67.1362 123.29 GPRESSURE: 131000 285.896 71.3445 80.5763 27.4272 -113.272 -0.761311 134.82 -63.274 97.5966 PRESSAVG: 131000 6.89166 21.1676 -25.4255 21.1676 11.9702 -13.4003 -25.4255 -13.4003 4.386 GPRESSAVG: 131000 7.59239 20.9846 -24.4212 22.0611 11.1468 -13.8542 -25.9723 -13.4513 4.35946 TIMING: 131000 CPU: 411.684, 0.0031464/step Wall: 411.684, 0.0031464/step, 4.25551 hours remaining, 233.613281 MB of memory in use. ENERGY: 131000 3985.9878 20429.9585 14495.0673 257.4450 -203151.7458 2492.7309 0.0000 0.0000 52143.4420 -109347.1142 299.6691 -161490.5562 -108976.4174 299.8205 67.4384 90.0737 761785.5170 7.7493 7.6995 PRESSURE: 131200 70.441 -73.0226 -116.347 -73.0233 64.5156 123.981 -116.346 123.981 -197.064 GPRESSURE: 131200 167.363 -27.2523 -88.5592 -33.6152 76.5939 161.22 -139.512 52.7434 -233.305 PRESSAVG: 131200 -44.1233 12.8628 -52.5389 12.8629 -44.2003 18.2581 -52.539 18.2581 -25.0199 GPRESSAVG: 131200 -44.9367 12.4496 -51.6166 11.9007 -44.1338 16.7047 -52.9326 19.9526 -24.3955 TIMING: 131200 CPU: 412.312, 0.00314039/step Wall: 412.312, 0.00314039/step, 4.24721 hours remaining, 233.613281 MB of memory in use. ENERGY: 131200 4073.0426 20493.3430 14549.2018 239.1625 -203401.6283 2744.9451 0.0000 0.0000 51958.8966 -109343.0368 298.6085 -161301.9334 -108981.0325 299.1471 -20.7024 3.5504 761971.7337 -37.7812 -37.8220 PRESSURE: 131400 -68.5068 165.224 76.5865 165.225 555.413 -27.0641 76.5863 -27.0644 178.733 GPRESSURE: 131400 0.633936 132.024 160.932 233.542 563.317 -13.8063 101.106 -29.2233 182.351 PRESSAVG: 131400 1.23637 6.10625 -60.8204 6.10625 -4.17057 15.365 -60.8204 15.365 -0.470523 GPRESSAVG: 131400 2.88145 7.88202 -61.7841 5.67166 -3.3207 18.4166 -60.0423 14.0224 -2.84519 TIMING: 131400 CPU: 412.945, 0.00316169/step Wall: 412.945, 0.00316169/step, 4.27583 hours remaining, 233.613281 MB of memory in use. ENERGY: 131400 3995.1523 20426.3298 14458.2909 268.0352 -203248.5145 2753.0903 0.0000 0.0000 52054.5220 -109293.0940 299.1581 -161347.6160 -108929.8334 299.6781 221.8796 248.7672 762500.4743 -1.1349 -1.0948 PRESSURE: 131600 418.432 -316.346 -274.046 -316.346 176.572 -33.0189 -274.045 -33.0193 426.69 GPRESSURE: 131600 399.041 -300.567 -123.927 -133.023 216.069 -34.5787 -284.085 -152.27 484.479 PRESSAVG: 131600 13.1835 26.7725 -11.9253 26.7725 0.753288 -13.125 -11.9254 -13.125 32.0919 GPRESSAVG: 131600 12.2393 23.9144 -12.2793 27.9831 -0.550069 -14.8275 -11.457 -13.8465 34.1596 TIMING: 131600 CPU: 413.574, 0.0031485/step Wall: 413.574, 0.0031485/step, 4.25782 hours remaining, 233.613281 MB of memory in use. ENERGY: 131600 4020.3315 20464.9826 14427.8000 258.1030 -203497.2677 2776.8174 0.0000 0.0000 52088.2937 -109460.9395 299.3521 -161549.2332 -109096.3456 299.8341 340.5647 366.5299 760606.7224 15.3429 15.2829 PRESSURE: 131800 -309.991 84.7272 83.8556 84.7274 -307.656 101.755 83.8558 101.755 -326.242 GPRESSURE: 131800 -310.101 -51.8335 146.484 21.0716 -181.85 -7.9794 47.3271 153.618 -351.808 PRESSAVG: 131800 -55.3809 -18.7186 -44.6269 -18.7186 30.4959 -4.46819 -44.6269 -4.46814 12.6782 GPRESSAVG: 131800 -55.4858 -17.8942 -42.2644 -18.4465 31.514 -3.99587 -46.7378 -5.013 11.9749 TIMING: 131800 CPU: 414.207, 0.00316048/step Wall: 414.207, 0.00316048/step, 4.27385 hours remaining, 233.613281 MB of memory in use. ENERGY: 131800 3990.8572 20527.8836 14367.0894 247.8698 -202721.1086 2218.5061 0.0000 0.0000 52250.8940 -109118.0085 300.2866 -161368.9025 -108760.1954 299.9295 -314.6299 -281.2532 763440.0230 -4.0689 -3.9990 PRESSURE: 132000 -432.522 161.777 -57.4253 161.776 113.993 -104.203 -57.4259 -104.204 -213.139 GPRESSURE: 132000 -458.731 132.086 -3.7266 31.5261 129.764 -103.327 -32.7587 -202.772 -89.9778 PRESSAVG: 132000 -15.2687 29.457 -3.78583 29.457 -1.80424 -7.07378 -3.78582 -7.07375 -11.6155 GPRESSAVG: 132000 -15.6169 30.9048 -5.10031 28.3897 -2.15203 -6.81116 -4.77727 -5.77833 -10.9033 TIMING: 132000 CPU: 414.835, 0.00314464/step Wall: 414.835, 0.00314464/step, 4.25226 hours remaining, 233.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 132000 4103.7053 20366.4551 14416.8600 234.4469 -202764.9387 2290.3788 0.0000 0.0000 52331.1198 -109021.9729 300.7477 -161353.0927 -108652.4160 300.3342 -177.2225 -139.6480 761532.9643 -9.5628 -9.5574 PRESSURE: 132200 58.4754 -24.9554 -291.372 -24.9543 10.3617 29.0746 -291.371 29.0758 26.6884 GPRESSURE: 132200 14.5123 -31.0803 -261.227 53.3107 108.622 -8.51379 -420.415 80.4939 44.8331 PRESSAVG: 132200 -12.2499 -45.2314 -68.29 -45.2314 1.25217 -98.0675 -68.2899 -98.0675 -15.7219 GPRESSAVG: 132200 -12.3474 -46.0366 -67.1394 -43.7094 1.26533 -98.1933 -66.038 -99.3223 -15.8197 TIMING: 132200 CPU: 415.464, 0.00314136/step Wall: 415.464, 0.00314136/step, 4.24764 hours remaining, 233.613281 MB of memory in use. ENERGY: 132200 4060.7517 20402.7414 14437.9081 240.2823 -202922.1983 2457.2113 0.0000 0.0000 52341.6357 -108981.6679 300.8081 -161323.3036 -108627.0980 300.3783 31.8419 55.9891 762095.9483 -8.9065 -8.9673 LDB: ============= START OF LOAD BALANCING ============== 427.861 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 427.861 LDB: =============== DONE WITH MIGRATION ================ 427.863 LDB: ============= START OF LOAD BALANCING ============== 428.176 LDB: Largest compute 7067 load 0.033088 is 16.9% of average load 0.195497 LDB: Average compute 0.004381 is 2.2% of average load 0.195497 LDB: TIME 428.18 LOAD: AVG 0.195497 MAX 0.216652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.828 MB LDB: TIME 428.18 LOAD: AVG 0.195497 MAX 0.216652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.957 MB LDB: TIME 428.181 LOAD: AVG 0.195497 MAX 0.216652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.957 MB LDB: ============== END OF LOAD BALANCING =============== 428.183 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 428.188 PRESSURE: 132400 -25.1862 59.2388 165.491 59.2381 -253.155 66.079 165.491 66.0782 -19.1837 GPRESSURE: 132400 -50.5898 26.3284 113.086 -24.7594 -150.621 -8.63546 205.143 146.325 -48.2401 PRESSAVG: 132400 -0.364451 -35.6728 -32.1516 -35.6727 -23.1837 -20.1582 -32.1516 -20.1582 19.9923 GPRESSAVG: 132400 -1.43024 -35.2359 -32.9735 -36.3885 -21.5651 -20.813 -33.5728 -19.7187 19.4794 TIMING: 132400 CPU: 416.105, 0.00320755/step Wall: 416.105, 0.00320755/step, 4.33696 hours remaining, 233.058594 MB of memory in use. ENERGY: 132400 3965.2365 20674.9458 14428.1872 251.0936 -202974.1566 2374.8590 0.0000 0.0000 52095.6346 -109184.1999 299.3943 -161279.8345 -108822.1659 299.4391 -99.1750 -83.1503 762235.6457 -1.1853 -1.1720 PRESSURE: 132600 -155.123 -35.7611 92.9681 -35.7613 284.515 -148.851 92.9683 -148.851 -169.206 GPRESSURE: 132600 -85.1862 -1.84206 22.175 -52.7637 238.984 -108.993 223.037 -153.319 -110.568 PRESSAVG: 132600 -25.7279 -2.51994 -26.7872 -2.51995 -4.81662 0.0836647 -26.7872 0.0836956 15.5395 GPRESSAVG: 132600 -24.1604 -2.94819 -27.1841 -2.6305 -6.31635 0.601742 -26.315 0.410258 15.4775 TIMING: 132600 CPU: 416.733, 0.00313795/step Wall: 416.733, 0.00313795/step, 4.24269 hours remaining, 233.058594 MB of memory in use. ENERGY: 132600 4032.0994 20324.7855 14372.8188 249.0247 -203052.9165 2685.5609 0.0000 0.0000 52071.2880 -109317.3392 299.2544 -161388.6272 -108937.0521 299.6608 -13.2714 14.4101 762070.7198 -5.0017 -4.9998 PRESSURE: 132800 14.5863 -99.4829 -131.237 -99.482 168.198 -174.883 -131.236 -174.884 -260.06 GPRESSURE: 132800 34.5687 -51.772 -233.73 -127.013 204.599 -182.54 -101.975 -107.671 -237.003 PRESSAVG: 132800 -56.6435 -2.12826 -23.8288 -2.1282 82.9559 -24.3048 -23.8288 -24.3048 -1.50322 GPRESSAVG: 132800 -56.6568 -2.03275 -23.2896 -1.0665 83.1233 -25.2501 -22.8007 -22.2407 -1.64579 TIMING: 132800 CPU: 417.359, 0.00313203/step Wall: 417.359, 0.00313203/step, 4.2345 hours remaining, 233.058594 MB of memory in use. ENERGY: 132800 4058.3979 20494.4002 14367.2290 252.7395 -203230.3005 2676.5268 0.0000 0.0000 52237.7327 -109143.2745 300.2110 -161381.0072 -108790.5692 299.9892 -25.7588 0.7218 761564.8569 8.2697 8.2736 PRESSURE: 133000 -221.47 -126.254 -19.0491 -126.254 -177.025 67.9407 -19.0491 67.9414 -406.146 GPRESSURE: 133000 -84.1371 -19.1326 -98.1536 -73.7249 -275.754 118.615 -145.868 -16.4372 -368.066 PRESSAVG: 133000 -10.3488 -40.2739 -60.5129 -40.274 13.5799 1.44098 -60.5129 1.44104 -13.8603 GPRESSAVG: 133000 -10.3529 -40.4922 -59.2264 -40.3189 13.5732 3.16051 -60.5132 -1.05006 -13.7628 TIMING: 133000 CPU: 417.989, 0.00315046/step Wall: 417.989, 0.00315046/step, 4.25925 hours remaining, 233.058594 MB of memory in use. ENERGY: 133000 3993.5392 20580.0786 14482.0493 224.6812 -203274.2045 2507.6173 0.0000 0.0000 52357.5580 -109128.6810 300.8996 -161486.2390 -108763.2143 300.4337 -268.2134 -242.6523 761806.3702 -3.5431 -3.5141 PRESSURE: 133200 -65.6108 126.619 180.146 126.619 114.751 150.568 180.146 150.569 10.2468 GPRESSURE: 133200 51.2053 95.7961 260.401 128.873 42.3077 141.782 200.258 74.8875 48.2506 PRESSAVG: 133200 -43.5471 -13.3257 -7.88788 -13.3258 47.0061 31.7133 -7.88795 31.7134 -6.63876 GPRESSAVG: 133200 -43.6792 -12.7314 -8.63606 -12.7326 47.0185 28.9221 -8.8437 34.1829 -6.35502 TIMING: 133200 CPU: 418.622, 0.00316429/step Wall: 418.622, 0.00316429/step, 4.27777 hours remaining, 233.058594 MB of memory in use. ENERGY: 133200 4011.2263 20544.7788 14480.8380 248.1412 -203216.2518 2605.6060 0.0000 0.0000 52058.4632 -109267.1984 299.1807 -161325.6616 -108913.4942 300.5849 19.7955 47.2545 761426.4034 -1.0599 -1.0052 PRESSURE: 133400 36.6842 -79.1734 209.825 -79.173 252.891 137.507 209.825 137.507 44.8128 GPRESSURE: 133400 102.294 -103.799 190.313 -135.247 216.886 71.7631 152.448 117.823 93.6629 PRESSAVG: 133400 3.00807 -2.29663 62.5806 -2.29664 10.336 19.6542 62.5807 19.6542 -16.8463 GPRESSAVG: 133400 2.91806 -3.00848 62.7453 -4.65459 9.24548 19.8468 63.1104 17.695 -16.0498 TIMING: 133400 CPU: 419.251, 0.00314246/step Wall: 419.251, 0.00314246/step, 4.24808 hours remaining, 233.058594 MB of memory in use. ENERGY: 133400 3906.0187 20488.1223 14430.2978 234.5138 -202936.2883 2612.4648 0.0000 0.0000 52188.5089 -109076.3620 299.9281 -161264.8709 -108712.6677 300.2623 111.4627 137.6143 763617.9589 -1.1674 -1.2954 PRESSURE: 133600 -249.185 -111.063 62.8405 -111.063 -149.115 -204.932 62.841 -204.932 170.542 GPRESSURE: 133600 -169.884 -111.26 55.6914 -25.3493 -107.1 -160.51 -4.24287 -114.412 124.695 PRESSAVG: 133600 34.2975 -2.50844 35.6446 -2.50844 -6.35557 11.8754 35.6446 11.8754 -8.3751 GPRESSAVG: 133600 33.5972 -1.68815 37.0038 0.0291913 -4.09034 12.423 34.4975 12.3656 -9.68474 TIMING: 133600 CPU: 419.884, 0.00316614/step Wall: 419.884, 0.00316614/step, 4.27991 hours remaining, 233.058594 MB of memory in use. ENERGY: 133600 3961.2218 20454.5386 14522.5063 226.5323 -203281.6152 2638.7752 0.0000 0.0000 52312.2403 -109165.8006 300.6392 -161478.0409 -108807.5745 299.9573 -75.9194 -50.7630 762764.7001 6.5223 6.6074 PRESSURE: 133800 -79.8954 205.672 -59.7845 205.672 -86.6044 -71.0363 -59.7847 -71.0357 -385.952 GPRESSURE: 133800 -72.5475 78.4105 -162.489 131.608 -59.0926 -67.7017 -19.6255 8.32659 -355.244 PRESSAVG: 133800 -21.0039 31.4105 -14.662 31.4105 19.0123 16.2665 -14.662 16.2665 -36.1948 GPRESSAVG: 133800 -21.1972 32.3352 -17.2617 30.9127 18.9787 17.9849 -13.247 16.1139 -35.6576 TIMING: 133800 CPU: 420.516, 0.00315818/step Wall: 420.516, 0.00315818/step, 4.26898 hours remaining, 233.058594 MB of memory in use. ENERGY: 133800 4043.7554 20747.7694 14449.2932 236.7022 -203271.8138 2560.0140 0.0000 0.0000 52012.1291 -109222.1505 298.9144 -161234.2796 -108859.8778 300.0233 -184.1506 -162.2947 762694.9066 -12.7288 -12.6253 PRESSURE: 134000 -237.096 43.9739 -71.7464 43.9747 141.837 162.212 -71.7466 162.213 22.8889 GPRESSURE: 134000 -108.267 41.554 4.7662 50.3531 97.7975 120.844 44.2314 169.802 22.4745 PRESSAVG: 134000 20.4105 45.2276 -24.7926 45.2276 -20.5259 11.1352 -24.7926 11.1352 1.47295 GPRESSAVG: 134000 20.9609 45.0269 -24.1171 43.9814 -21.5109 8.89141 -25.2593 11.7336 1.87287 TIMING: 134000 CPU: 421.144, 0.00314124/step Wall: 421.144, 0.00314124/step, 4.24591 hours remaining, 233.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 134000 3997.1807 20505.0313 14379.1431 248.4865 -203455.8626 2690.3993 0.0000 0.0000 52337.2604 -109298.3612 300.7830 -161635.6217 -108937.8591 300.2187 -24.1236 4.0015 761915.0783 0.4525 0.4409 PRESSURE: 134200 -107.332 91.665 87.8906 91.6657 -57.3273 300.167 87.8904 300.167 -153.967 GPRESSURE: 134200 33.8794 81.0472 56.8278 98.8455 -144.788 364.723 168.535 159.692 -134.247 PRESSAVG: 134200 14.1953 -40.2183 3.2887 -40.2183 19.5934 9.04786 3.28873 9.04778 20.0862 GPRESSAVG: 134200 13.5229 -42.0327 4.28232 -40.2104 19.5197 11.3246 3.4577 10.4455 20.7948 TIMING: 134200 CPU: 421.771, 0.00313443/step Wall: 421.771, 0.00313443/step, 4.23654 hours remaining, 233.058594 MB of memory in use. ENERGY: 134200 3962.6201 20698.7554 14466.3978 248.7539 -203477.4186 2636.8106 0.0000 0.0000 52380.9298 -109083.1510 301.0339 -161464.0809 -108718.6894 300.2100 -106.2090 -81.7188 762025.0647 17.9583 17.9458 PRESSURE: 134400 228.787 221.212 -139.003 221.213 0.701901 116.3 -139.003 116.3 -28.3481 GPRESSURE: 134400 314.052 219.333 -175.259 188.054 -7.55929 142.302 -144.34 163.946 -17.0079 PRESSAVG: 134400 -12.2877 9.60014 -7.70873 9.60019 55.1315 50.6935 -7.7087 50.6936 16.6786 GPRESSAVG: 134400 -11.5311 11.1552 -8.5641 10.5814 55.8869 49.1819 -8.76099 48.2354 15.2388 TIMING: 134400 CPU: 422.398, 0.00313488/step Wall: 422.398, 0.00313488/step, 4.23696 hours remaining, 233.058594 MB of memory in use. ENERGY: 134400 4021.3410 20495.3206 14517.4112 243.3486 -203725.8189 2801.2294 0.0000 0.0000 52380.8713 -109266.2969 301.0336 -161647.1681 -108905.9917 300.7858 67.0471 96.4949 760812.5400 19.8408 19.8649 PRESSURE: 134600 -220.115 5.79022 -21.6797 5.78948 511.412 61.5052 -21.6809 61.5034 295.996 GPRESSURE: 134600 -145.093 -62.5376 81.3634 108.607 545.993 69.2789 16.0585 23.6172 267.771 PRESSAVG: 134600 -50.7377 -41.1582 -25.7925 -41.1583 2.57248 52.1324 -25.7926 52.1325 -4.45376 GPRESSAVG: 134600 -51.0499 -41.7697 -25.7831 -42.1049 2.99186 52.319 -25.027 53.1964 -5.14618 TIMING: 134600 CPU: 423.025, 0.00313494/step Wall: 423.025, 0.00313494/step, 4.23687 hours remaining, 233.058594 MB of memory in use. ENERGY: 134600 4007.2659 20505.3218 14484.7713 267.0238 -203327.8003 2759.1147 0.0000 0.0000 52145.7111 -109158.5918 299.6821 -161304.3029 -108793.6299 300.0994 195.7646 222.8903 760714.7316 -17.5397 -17.7347 PRESSURE: 134800 -424.323 102.082 203.272 102.082 36.4218 -3.93349 203.272 -3.93392 -436.013 GPRESSURE: 134800 -287.668 52.889 170.075 58.8015 -68.6607 23.4518 271.001 37.1878 -391.236 PRESSAVG: 134800 -23.6945 -62.0349 58.8939 -62.0349 1.91639 25.6165 58.8939 25.6164 13.3608 GPRESSAVG: 134800 -22.9461 -61.9248 59.4002 -63.0897 -0.481635 25.8475 58.6687 25.5384 14.6202 TIMING: 134800 CPU: 423.652, 0.00313565/step Wall: 423.652, 0.00313565/step, 4.23766 hours remaining, 233.058594 MB of memory in use. ENERGY: 134800 3973.2411 20691.1836 14462.5851 251.0142 -202997.8767 2318.5131 0.0000 0.0000 52135.1048 -109166.2347 299.6212 -161301.3394 -108801.8811 299.5488 -274.6382 -249.1881 762516.5682 -2.8058 -2.9359 PRESSURE: 135000 -12.3432 228.786 -223.301 228.786 71.2327 41.4593 -223.301 41.4589 -170.696 GPRESSURE: 135000 -83.935 132.483 -246.898 205.217 168.766 169.683 -165.611 -27.7839 -113.366 PRESSAVG: 135000 -30.5569 -4.15849 32.9816 -4.15847 40.5992 20.4184 32.9816 20.4183 -5.74633 GPRESSAVG: 135000 -31.4139 -6.74428 33.0578 -3.36979 41.985 20.9203 33.4676 21.1557 -6.57222 TIMING: 135000 CPU: 424.279, 0.00313729/step Wall: 424.279, 0.00313729/step, 4.23969 hours remaining, 233.058594 MB of memory in use. ENERGY: 135000 3980.4836 20531.5988 14435.3834 242.7377 -203209.2086 2446.9043 0.0000 0.0000 52452.5151 -109119.5856 301.4453 -161572.1008 -108751.6606 300.1923 -37.2688 -9.5117 761712.4858 1.4320 1.3330 PRESSURE: 135200 292.729 -191.213 -115.527 -191.213 398.522 -32.5846 -115.527 -32.5853 -269.146 GPRESSURE: 135200 192.001 -162.619 -164.002 -160.789 490.13 14.8766 -68.1857 -220.551 -199.134 PRESSAVG: 135200 -60.7834 -30.673 -40.8912 -30.673 42.0956 17.8172 -40.8913 17.8172 -10.8668 GPRESSAVG: 135200 -62.0562 -25.7242 -40.8065 -31.0495 42.1966 17.1224 -41.2963 15.5899 -9.46568 TIMING: 135200 CPU: 424.905, 0.00313005/step Wall: 424.905, 0.00313005/step, 4.22974 hours remaining, 233.125000 MB of memory in use. ENERGY: 135200 3941.4511 20491.5510 14487.8753 253.5266 -203276.8257 2719.2152 0.0000 0.0000 52121.0192 -109262.1874 299.5402 -161383.2066 -108891.2845 299.9527 140.7019 160.9990 760710.2806 -9.8516 -9.7751 PRESSURE: 135400 -201.547 -242.108 -33.961 -242.109 -52.8847 135.739 -33.9615 135.739 165.927 GPRESSURE: 135400 -95.5487 -252.057 -61.7961 -174.136 -61.2391 160.424 -74.2173 28.7696 144.072 PRESSAVG: 135400 57.5426 -46.4868 -25.2869 -46.4868 -16.5812 -30.2657 -25.2869 -30.2658 0.797327 GPRESSAVG: 135400 58.9738 -48.6067 -24.5223 -46.37 -17.9069 -29.8024 -24.3493 -30.1418 0.6224 TIMING: 135400 CPU: 425.531, 0.0031313/step Wall: 425.531, 0.0031313/step, 4.23126 hours remaining, 233.125000 MB of memory in use. ENERGY: 135400 3986.1047 20617.1249 14400.8039 268.3921 -203235.5521 2526.1406 0.0000 0.0000 52275.5039 -109161.4821 300.4280 -161436.9859 -108801.5049 299.9086 -29.5015 -4.2387 761675.1181 13.9196 13.8964 PRESSURE: 135600 -176.737 46.0116 -49.4991 46.0116 400.712 4.03396 -49.4985 4.03323 -155.337 GPRESSURE: 135600 -125.866 -47.8712 -83.6115 146.462 403.593 67.2739 -107.095 -79.1972 -137.223 PRESSAVG: 135600 -14.0612 -12.6387 -5.3832 -12.6386 40.7893 4.50871 -5.38315 4.50871 16.2961 GPRESSAVG: 135600 -15.6995 -13.2895 -5.47021 -11.3258 41.8031 4.15041 -5.93452 7.29913 16.3771 TIMING: 135600 CPU: 426.159, 0.00313635/step Wall: 426.159, 0.00313635/step, 4.2379 hours remaining, 233.125000 MB of memory in use. ENERGY: 135600 3950.9633 20601.0768 14478.1214 251.5954 -203450.1569 2599.7063 0.0000 0.0000 52303.1029 -109265.5908 300.5867 -161568.6938 -108900.7193 300.3882 22.8793 46.8344 760748.8559 14.3414 14.1602 PRESSURE: 135800 -304.283 63.277 30.8134 63.2763 18.3952 -102.586 30.8131 -102.586 172.153 GPRESSURE: 135800 -310.871 92.4813 -37.6249 28.3088 72.8136 -181.875 51.7828 -93.1971 200.327 PRESSAVG: 135800 49.249 3.93387 -17.0716 3.93391 -24.7235 -15.5209 -17.0716 -15.5209 1.14868 GPRESSAVG: 135800 49.9741 4.08228 -18.1336 5.68673 -24.5266 -14.9172 -15.2484 -17.7387 0.734927 TIMING: 135800 CPU: 426.786, 0.00313419/step Wall: 426.786, 0.00313419/step, 4.23482 hours remaining, 233.125000 MB of memory in use. ENERGY: 135800 4010.4747 20563.6988 14427.8893 261.4782 -203519.1012 2682.3425 0.0000 0.0000 52352.4223 -109220.7954 300.8701 -161573.2177 -108864.7514 300.5349 -37.9113 -12.5768 762208.3966 8.5581 8.7275 PRESSURE: 136000 -101.32 -26.1873 221.65 -26.1865 -162.123 -159.603 221.649 -159.604 39.9346 GPRESSURE: 136000 -2.54673 37.4835 221.17 -54.713 -120.297 -184.392 162.75 -132.472 -12.4232 PRESSAVG: 136000 25.6246 -0.235741 -2.78979 -0.235713 -3.98848 -47.6949 -2.78985 -47.695 -4.35676 GPRESSAVG: 136000 25.9888 0.669953 -1.45952 -2.77181 -3.49233 -48.0708 -4.43412 -48.8473 -4.86092 TIMING: 136000 CPU: 427.415, 0.0031457/step Wall: 427.415, 0.0031457/step, 4.25019 hours remaining, 233.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 136000 4022.1711 20505.8645 14503.1926 258.8840 -203243.2486 2562.9805 0.0000 0.0000 52371.6673 -109018.4883 300.9807 -161390.1557 -108652.2292 300.6141 -74.5029 -45.0889 760493.9344 5.7598 5.8785 PRESSURE: 136200 251.839 -51.0446 105.918 -51.0441 318.28 74.1979 105.918 74.1984 291.584 GPRESSURE: 136200 358.746 -152.207 70.2754 -112.742 304.836 20.1198 104.96 227.129 279.619 PRESSAVG: 136200 -29.1897 7.94649 45.4181 7.94647 17.1965 -25.8372 45.4181 -25.8372 -5.39398 GPRESSAVG: 136200 -28.5007 6.99518 44.7843 7.30143 16.1438 -26.3401 44.5309 -24.9295 -5.08371 TIMING: 136200 CPU: 428.046, 0.00315823/step Wall: 428.046, 0.00315823/step, 4.26694 hours remaining, 233.125000 MB of memory in use. ENERGY: 136200 3954.6759 20642.5672 14449.3436 223.9458 -203278.2392 2819.8062 0.0000 0.0000 52125.9705 -109061.9300 299.5687 -161187.9005 -108706.3732 300.8057 287.2347 314.4002 762550.0775 -5.7957 -5.8136 LDB: ============= START OF LOAD BALANCING ============== 440.443 LDB: ============== END OF LOAD BALANCING =============== 440.443 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 440.445 LDB: ============= START OF LOAD BALANCING ============== 440.758 LDB: Largest compute 7075 load 0.033192 is 17.0% of average load 0.195481 LDB: Average compute 0.004404 is 2.3% of average load 0.195481 LDB: TIME 440.762 LOAD: AVG 0.195481 MAX 0.214121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.016 MB LDB: TIME 440.762 LOAD: AVG 0.195481 MAX 0.214121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.219 MB LDB: TIME 440.762 LOAD: AVG 0.195481 MAX 0.214121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 440.764 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 440.769 PRESSURE: 136400 -94.1744 -49.1787 -195.619 -49.1792 219.401 -8.55941 -195.62 -8.55952 258.259 GPRESSURE: 136400 16.9029 -117.463 -146.828 -118.662 190.927 9.5195 -229.098 55.0905 255.943 PRESSAVG: 136400 -47.7417 -3.80388 -0.410328 -3.80385 81.6859 -6.55578 -0.410353 -6.55582 -5.41535 GPRESSAVG: 136400 -48.1836 -3.82299 -1.52517 -3.54887 80.5939 -7.26968 -0.76429 -5.93971 -3.60405 TIMING: 136400 CPU: 428.687, 0.00320123/step Wall: 428.687, 0.00320123/step, 4.32486 hours remaining, 230.667969 MB of memory in use. ENERGY: 136400 3957.4668 20417.4800 14482.7071 238.8573 -203172.8996 2644.8439 0.0000 0.0000 52236.2747 -109195.2699 300.2026 -161431.5445 -108837.9284 300.1528 127.8286 154.5911 763553.8263 9.5096 9.6021 PRESSURE: 136600 -247.752 209.309 21.198 209.309 58.7447 159.204 21.1978 159.203 -435.494 GPRESSURE: 136600 -247.509 176.86 103.402 218.962 132.729 220.344 -23.6021 197.927 -432.327 PRESSAVG: 136600 -33.4863 -13.7828 -1.00058 -13.7828 26.0929 4.38179 -1.00059 4.38177 -29.8806 GPRESSAVG: 136600 -33.9406 -13.3524 1.64696 -12.8492 27.2851 5.93002 -0.262063 4.43623 -30.7966 TIMING: 136600 CPU: 429.312, 0.0031264/step Wall: 429.312, 0.0031264/step, 4.22359 hours remaining, 230.734375 MB of memory in use. ENERGY: 136600 4028.3186 20591.9529 14488.6208 237.5017 -203137.0819 2504.4956 0.0000 0.0000 52151.2786 -109134.9137 299.7141 -161286.1923 -108781.2395 300.3506 -208.1671 -182.3689 763275.4820 -12.4247 -12.4840 PRESSURE: 136800 -12.9832 -35.3487 -59.0254 -35.3483 233.526 0.72992 -59.0261 0.730042 -20.3081 GPRESSURE: 136800 41.0566 42.4363 -115.921 -92.2823 248.24 -16.8476 -51.3566 71.2158 -15.9413 PRESSAVG: 136800 0.820982 5.70826 -8.40742 5.70823 7.1078 54.9771 -8.40744 54.9772 -32.2186 GPRESSAVG: 136800 0.568483 6.61478 -11.9081 5.87424 7.81691 54.8553 -8.55044 55.7927 -33.186 TIMING: 136800 CPU: 429.942, 0.00315007/step Wall: 429.942, 0.00315007/step, 4.2554 hours remaining, 230.734375 MB of memory in use. ENERGY: 136800 3959.7607 20653.6084 14455.5044 240.1806 -203267.1850 2795.2417 0.0000 0.0000 51823.6823 -109339.2069 297.8314 -161162.8892 -108983.5991 299.7555 66.7448 91.1185 762156.5406 -8.0966 -8.2669 PRESSURE: 137000 -171.954 85.0097 44.1533 85.0102 50.848 34.1748 44.1528 34.1753 -358.548 GPRESSURE: 137000 -164.268 47.3591 65.6505 14.1193 86.8433 1.25302 160.68 24.477 -333.723 PRESSAVG: 137000 -52.7227 -17.2281 -15.7419 -17.228 64.149 16.6791 -15.7419 16.679 -11.6805 GPRESSAVG: 137000 -52.7519 -17.5762 -14.0877 -16.0683 63.7762 17.6231 -15.7356 15.0174 -10.6036 TIMING: 137000 CPU: 430.57, 0.00314069/step Wall: 430.57, 0.00314069/step, 4.24255 hours remaining, 230.734375 MB of memory in use. ENERGY: 137000 4097.5785 20368.7149 14380.9301 237.5572 -203040.2230 2565.0325 0.0000 0.0000 52189.7616 -109200.6483 299.9353 -161390.4099 -108827.7211 299.5486 -159.8844 -137.0494 762446.0699 -0.0848 0.1402 PRESSURE: 137200 -630.156 -232.282 19.5078 -232.282 -513.871 -105.346 19.5075 -105.347 -13.4966 GPRESSURE: 137200 -555.712 -144.21 70.7148 -221.775 -499.645 -110.02 143.773 -67.4945 -14.3609 PRESSAVG: 137200 -32.5923 -9.72858 -29.4959 -9.72861 42.4643 -13.4036 -29.4959 -13.4037 -15.5702 GPRESSAVG: 137200 -33.2411 -9.69117 -28.9695 -10.915 44.509 -14.5096 -29.8863 -12.4894 -17.011 TIMING: 137200 CPU: 431.198, 0.00314113/step Wall: 431.198, 0.00314113/step, 4.24296 hours remaining, 230.734375 MB of memory in use. ENERGY: 137200 3978.1475 20507.3024 14481.2985 254.2322 -202921.6043 2205.0450 0.0000 0.0000 52091.5026 -109404.0760 299.3706 -161495.5787 -109036.1376 299.7226 -385.8414 -356.5725 760174.0271 -1.8994 -1.9143 PRESSURE: 137400 238.542 -71.1188 151.605 -71.1179 447.429 -0.710206 151.605 -0.710737 -82.3525 GPRESSURE: 137400 243.965 84.1578 9.14664 -13.0605 416.285 -3.02484 146.71 43.6693 37.6004 PRESSAVG: 137400 -24.0926 -38.3335 -2.19928 -38.3336 56.7403 -21.1311 -2.19924 -21.1311 -17.8478 GPRESSAVG: 137400 -23.381 -36.8793 -3.36577 -38.8345 54.2302 -20.9738 -1.49894 -20.271 -16.6221 TIMING: 137400 CPU: 431.827, 0.00314572/step Wall: 431.827, 0.00314572/step, 4.24899 hours remaining, 230.734375 MB of memory in use. ENERGY: 137400 4008.7007 20592.6018 14472.3640 257.8294 -203435.7853 2751.8220 0.0000 0.0000 51735.8845 -109616.5829 297.3268 -161352.4674 -109262.0312 299.3296 201.2061 232.6167 760381.1615 4.9333 4.7424 PRESSURE: 137600 218.073 -2.76714 -79.8713 -2.76728 -117.751 130.916 -79.8717 130.915 150.685 GPRESSURE: 137600 189.346 142.477 -72.9986 -148.874 40.6037 181.115 -101.788 13.8333 119.11 PRESSAVG: 137600 -5.34579 -13.2888 -11.9314 -13.2888 -2.67381 5.45801 -11.9314 5.45793 8.95107 GPRESSAVG: 137600 -6.8152 -13.6252 -10.1747 -12.0831 -1.13842 5.26247 -13.0197 3.70289 8.71155 TIMING: 137600 CPU: 432.461, 0.00316824/step Wall: 432.461, 0.00316823/step, 4.27923 hours remaining, 230.734375 MB of memory in use. ENERGY: 137600 4019.8508 20388.7956 14464.1848 255.5670 -203473.0350 2709.1031 0.0000 0.0000 52226.9527 -109408.5810 300.1490 -161635.5337 -109026.0277 299.3766 83.6690 116.3532 760877.4411 0.3105 0.2526 PRESSURE: 137800 -178.277 21.428 75.5173 21.4282 70.3761 -49.8252 75.5167 -49.8251 437.565 GPRESSURE: 137800 -64.5655 -49.5079 4.74658 13.8855 63.5898 -155.526 18.8652 43.7424 416.128 PRESSAVG: 137800 -19.5983 -14.0934 30.2208 -14.0934 15.5104 51.9857 30.2208 51.9857 3.07771 GPRESSAVG: 137800 -19.0835 -15.6664 28.9395 -14.9064 16.2608 53.6409 30.2003 53.0341 1.46365 TIMING: 137800 CPU: 433.095, 0.00317092/step Wall: 433.095, 0.00317092/step, 4.28268 hours remaining, 230.734375 MB of memory in use. ENERGY: 137800 3967.8040 20571.2745 14464.4894 251.6389 -203715.3883 2923.9588 0.0000 0.0000 52074.8339 -109461.3889 299.2748 -161536.2228 -109111.1192 299.4307 109.8880 138.3840 762700.2297 -0.3367 -0.4530 PRESSURE: 138000 0.136773 24.5206 60.7991 24.5203 172.814 -46.1751 60.7996 -46.1751 -133.551 GPRESSURE: 138000 -2.57628 235.912 73.7458 -7.3891 221.508 -111.206 8.99651 36.4329 -95.995 PRESSAVG: 138000 30.9315 0.00266038 42.4255 0.00261409 -3.5986 13.6728 42.4254 13.6729 14.0048 GPRESSAVG: 138000 30.7451 -0.163208 41.0526 0.14125 -5.44833 12.8624 45.2685 14.1167 15.883 TIMING: 138000 CPU: 433.73, 0.00317374/step Wall: 433.73, 0.00317374/step, 4.28631 hours remaining, 230.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 3994.9526 20295.5786 14476.3201 251.8069 -203200.7435 2497.0303 0.0000 0.0000 52330.6512 -109354.4038 300.7450 -161685.0550 -108991.7714 299.3629 13.1335 40.9790 761120.0304 13.7792 13.7266 PRESSURE: 138200 -245.024 63.4991 197.506 63.4996 1.5794 -74.3125 197.508 -74.3123 -5.07221 GPRESSURE: 138200 -136.459 -120.298 246.472 94.3531 -5.08985 -108.845 214.16 -90.0299 -35.915 PRESSAVG: 138200 3.64251 50.9391 34.9039 50.9391 17.622 -0.605251 34.9039 -0.605214 3.09616 GPRESSAVG: 138200 5.8579 52.7101 34.0965 50.2702 17.1273 -1.13563 35.1103 -1.18956 1.35117 TIMING: 138200 CPU: 434.357, 0.00313705/step Wall: 434.357, 0.00313705/step, 4.23659 hours remaining, 230.734375 MB of memory in use. ENERGY: 138200 4016.0119 20435.1514 14478.3025 231.4029 -202964.9366 2355.8322 0.0000 0.0000 52164.2552 -109283.9804 299.7887 -161448.2356 -108924.1069 299.6715 -82.8389 -59.1547 761680.5994 8.1202 8.1121 PRESSURE: 138400 -51.493 -6.16917 -181.982 -6.16935 -396.619 -270.293 -181.982 -270.293 60.3648 GPRESSURE: 138400 55.7603 -109.892 -109.513 49.0668 -414.685 -345.17 -66.3389 -237.746 55.536 PRESSAVG: 138400 31.8551 40.2813 59.5147 40.2812 -37.4822 -5.1398 59.5147 -5.13979 17.8601 GPRESSAVG: 138400 29.3361 38.6475 62.157 39.972 -36.2288 -4.47833 59.0769 -4.80332 18.9776 TIMING: 138400 CPU: 434.986, 0.00314142/step Wall: 434.986, 0.00314142/step, 4.24231 hours remaining, 230.734375 MB of memory in use. ENERGY: 138400 3967.7090 20460.4773 14539.8467 250.0618 -202952.1012 2398.3007 0.0000 0.0000 52113.3539 -109222.3519 299.4962 -161335.7057 -108866.0458 299.5051 -129.2492 -101.1295 762512.2021 4.0777 4.0283 PRESSURE: 138600 -83.0074 -92.8177 122.681 -92.8183 22.1526 -63.3624 122.682 -63.3631 277.121 GPRESSURE: 138600 -70.732 -104.162 132.558 -53.5891 47.2923 -82.7188 211.753 -106.028 297.903 PRESSAVG: 138600 26.4606 -39.7353 57.413 -39.7354 -26.9611 -18.6876 57.4131 -18.6875 -13.0495 GPRESSAVG: 138600 26.8861 -39.5929 56.6657 -40.4764 -27.7979 -18.5314 56.7824 -16.8335 -12.9809 TIMING: 138600 CPU: 435.611, 0.0031256/step Wall: 435.611, 0.0031256/step, 4.22077 hours remaining, 230.734375 MB of memory in use. ENERGY: 138600 4006.0329 20480.1526 14448.6839 248.6381 -202913.5729 2617.3911 0.0000 0.0000 51901.6598 -109211.0145 298.2796 -161112.6743 -108866.8404 299.5934 72.0887 91.4878 761600.1322 -4.5167 -4.6309 PRESSURE: 138800 -68.5348 133.512 174.678 133.511 150.814 25.0155 174.677 25.0148 -186.134 GPRESSURE: 138800 29.514 265.609 249.346 173.553 106.82 50.893 107.604 4.00025 -156.008 PRESSAVG: 138800 -31.7945 -36.6538 29.3417 -36.6539 23.7303 -9.9305 29.3417 -9.93046 7.39596 GPRESSAVG: 138800 -31.7934 -36.1125 30.2915 -34.3723 24.4371 -9.75104 29.3619 -10.6445 6.46088 TIMING: 138800 CPU: 436.242, 0.00315535/step Wall: 436.242, 0.00315535/step, 4.26077 hours remaining, 230.734375 MB of memory in use. ENERGY: 138800 4025.2792 20393.4851 14385.3435 262.7551 -203187.9435 2566.3761 0.0000 0.0000 52164.5513 -109390.1532 299.7904 -161554.7045 -109038.3980 299.6377 -34.6181 -6.5583 762295.9757 -0.2228 -0.2985 PRESSURE: 139000 94.9019 -310.61 101.485 -310.609 83.0911 56.2761 101.485 56.2763 114.5 GPRESSURE: 139000 137.868 -241.76 70.5489 -355.973 190.524 81.5031 -48.5607 -5.4565 42.1469 PRESSAVG: 139000 46.5812 15.8252 -23.1585 15.8252 -27.2076 24.4928 -23.1585 24.4929 4.53597 GPRESSAVG: 139000 46.0371 17.3244 -24.2763 13.8727 -26.8165 23.2949 -24.2221 22.7234 4.74247 TIMING: 139000 CPU: 436.871, 0.00314435/step Wall: 436.871, 0.00314435/step, 4.24575 hours remaining, 230.734375 MB of memory in use. ENERGY: 139000 4055.3155 20416.2384 14400.1512 226.4395 -203088.5585 2388.7125 0.0000 0.0000 52216.5436 -109385.1578 300.0892 -161601.7013 -109023.0877 299.2054 97.4975 123.5130 760019.9601 7.9698 7.9877 PRESSURE: 139200 -265.246 74.2267 -232.092 74.2271 267.191 30.1976 -232.092 30.199 249.973 GPRESSURE: 139200 -205.484 122.838 -278.302 105.668 257.536 48.3087 -205.588 140.462 289.102 PRESSAVG: 139200 -34.1787 -13.3851 -18.5916 -13.385 -14.3477 29.1806 -18.5916 29.1806 -6.18818 GPRESSAVG: 139200 -34.5817 -15.2594 -18.4734 -11.5981 -13.6132 30.5096 -17.8988 30.4795 -6.34564 TIMING: 139200 CPU: 437.498, 0.00313458/step Wall: 437.498, 0.00313457/step, 4.23237 hours remaining, 230.734375 MB of memory in use. ENERGY: 139200 3931.3912 20401.0269 14438.3556 253.2918 -203588.6682 2891.6055 0.0000 0.0000 52220.3775 -109452.6197 300.1112 -161672.9972 -109081.3429 299.4033 83.9725 113.7179 760726.8151 -18.2382 -18.1802 PRESSURE: 139400 -217.37 -100.877 172.335 -100.877 -164.106 -71.7871 172.335 -71.787 256.387 GPRESSURE: 139400 -91.2242 2.15632 62.8108 -153.769 -211.343 -12.2843 98.6456 -85.4844 233.991 PRESSAVG: 139400 6.4385 -9.29317 -29.5712 -9.29316 0.311773 -28.1295 -29.5712 -28.1295 -6.84097 GPRESSAVG: 139400 6.47147 -8.84899 -28.8837 -9.80987 -0.964772 -30.411 -29.4198 -26.5807 -5.89975 TIMING: 139400 CPU: 438.124, 0.00313321/step Wall: 438.124, 0.00313321/step, 4.23035 hours remaining, 230.734375 MB of memory in use. ENERGY: 139400 4007.3399 20441.4037 14408.3581 239.7614 -203444.0964 2662.6636 0.0000 0.0000 52476.8551 -109207.7146 301.5852 -161684.5697 -108842.8547 299.8424 -41.6964 -22.8586 760592.8655 -0.0302 -0.1310 PRESSURE: 139600 225.131 -65.0124 207.336 -65.0122 177.281 -168.824 207.336 -168.826 -182.61 GPRESSURE: 139600 220.389 -16.0463 284.477 25.3252 262.543 -134.25 226.243 -139.596 -180.493 PRESSAVG: 139600 11.3115 -28.0452 -19.4571 -28.0452 -24.7969 -27.9379 -19.4571 -27.9379 -5.50137 GPRESSAVG: 139600 11.082 -28.3081 -20.0978 -27.2571 -24.0905 -27.5785 -17.932 -29.3495 -5.58269 TIMING: 139600 CPU: 438.756, 0.00315991/step Wall: 438.756, 0.00315991/step, 4.26623 hours remaining, 230.734375 MB of memory in use. ENERGY: 139600 4009.3273 20388.7154 14513.8890 225.1091 -203150.7645 2495.2918 0.0000 0.0000 52074.7376 -109443.6943 299.2742 -161518.4319 -109071.2181 299.8896 73.2672 100.8129 760648.2439 -6.3289 -6.1971 PRESSURE: 139800 -231.243 13.2163 -117.828 13.2162 61.2342 89.0472 -117.827 89.0488 -307.284 GPRESSURE: 139800 -161.252 54.7594 -55.8526 164.08 39.7268 36.7715 -55.2657 -15.1509 -278.351 PRESSAVG: 139800 -11.5149 -13.0557 17.5719 -13.0557 31.8063 40.2212 17.5719 40.2211 28.0077 GPRESSAVG: 139800 -12.5222 -14.0482 19.2392 -14.4979 31.7284 40.3332 16.6708 38.6769 29.0032 TIMING: 139800 CPU: 439.389, 0.00316304/step Wall: 439.389, 0.00316304/step, 4.27028 hours remaining, 230.734375 MB of memory in use. ENERGY: 139800 4060.1871 20562.1130 14399.3667 266.9929 -203397.2580 2487.1541 0.0000 0.0000 51989.2888 -109632.1555 298.7832 -161621.4442 -109274.6719 299.5347 -159.0976 -133.2922 760178.8105 16.0997 16.0698 PRESSURE: 140000 -238.221 -130.406 -356.392 -130.406 -173.776 18.8882 -356.392 18.8873 77.2383 GPRESSURE: 140000 -147.122 -136.481 -412.311 8.76007 -171.646 145.487 -452.924 -75.7908 61.5566 PRESSAVG: 140000 55.5199 -31.0749 -6.00499 -31.0749 -70.9396 39.4176 -6.00497 39.4177 -26.3016 GPRESSAVG: 140000 57.0151 -29.639 -8.64458 -29.7711 -70.9099 40.9974 -7.37693 40.6597 -27.7485 TIMING: 140000 CPU: 440.015, 0.00313136/step Wall: 440.015, 0.00313135/step, 4.22733 hours remaining, 230.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 3942.9884 20412.5466 14476.9118 252.0841 -203029.4579 2236.1009 0.0000 0.0000 51980.0058 -109728.8204 298.7298 -161708.8261 -109353.2271 298.8953 -111.5863 -85.7372 761004.7894 -13.9071 -13.8811 PRESSURE: 140200 83.3654 87.0806 44.7229 87.0814 -104.057 -296.437 44.723 -296.436 -93.5107 GPRESSURE: 140200 86.1983 20.9033 71.4951 191.954 -20.3831 -289.014 36.5424 -231.96 -81.6371 PRESSAVG: 140200 36.9244 10.9791 -43.475 10.979 -12.7883 14.0378 -43.475 14.0378 14.112 GPRESSAVG: 140200 35.9904 8.70378 -40.47 10.9296 -12.0159 12.9175 -45.9265 13.9523 13.795 TIMING: 140200 CPU: 440.645, 0.00314939/step Wall: 440.645, 0.00314939/step, 4.25151 hours remaining, 230.734375 MB of memory in use. ENERGY: 140200 4007.5340 20397.4912 14464.3441 248.9992 -203711.9682 2869.7091 0.0000 0.0000 51955.7863 -109768.1044 298.5906 -161723.8906 -109397.7258 298.6858 -38.0675 -5.2739 759759.3823 12.7494 12.5898 LDB: ============= START OF LOAD BALANCING ============== 453.043 LDB: ============== END OF LOAD BALANCING =============== 453.043 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 453.045 LDB: ============= START OF LOAD BALANCING ============== 453.36 LDB: Largest compute 7075 load 0.032100 is 16.4% of average load 0.195472 LDB: Average compute 0.004377 is 2.2% of average load 0.195472 LDB: TIME 453.363 LOAD: AVG 0.195472 MAX 0.214327 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.473 MB LDB: TIME 453.364 LOAD: AVG 0.195472 MAX 0.214327 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: TIME 453.364 LOAD: AVG 0.195472 MAX 0.214327 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: ============== END OF LOAD BALANCING =============== 453.366 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 453.37 PRESSURE: 140400 -302.926 -22.2952 -1.50029 -22.2956 -60.8867 -126.371 -1.50031 -126.37 -216.618 GPRESSURE: 140400 -312.861 12.657 70.0809 -44.556 -4.48582 -139.358 14.3728 -87.3702 -183.568 PRESSAVG: 140400 30.5877 2.83088 53.8648 2.83085 -7.81763 -27.6129 53.8648 -27.6129 6.9187 GPRESSAVG: 140400 31.5325 4.93462 53.1041 2.8055 -8.16662 -28.3468 57.5852 -26.8423 6.85761 TIMING: 140400 CPU: 441.288, 0.00321387/step Wall: 441.288, 0.00321387/step, 4.33836 hours remaining, 231.757812 MB of memory in use. ENERGY: 140400 3922.9249 20201.7291 14495.8574 253.8822 -203396.3667 2408.1576 0.0000 0.0000 52073.4331 -110040.3825 299.2667 -162113.8156 -109679.5821 298.1379 -193.4770 -166.9718 760417.4523 9.8962 10.0745 PRESSURE: 140600 21.1887 30.3732 -5.31732 30.3741 -373.776 115.931 -5.31799 115.93 -450.031 GPRESSURE: 140600 -5.98522 -15.855 -73.5413 98.7568 -257.416 85.9331 -58.7856 -25.6983 -446.142 PRESSAVG: 140600 -10.8182 -45.6686 -7.24917 -45.6686 2.20603 -28.3275 -7.2492 -28.3275 -11.2085 GPRESSAVG: 140600 -11.6136 -45.8711 -6.96624 -47.9384 2.28305 -27.5945 -8.98339 -27.2833 -10.5697 TIMING: 140600 CPU: 441.919, 0.00315665/step Wall: 441.919, 0.00315665/step, 4.26095 hours remaining, 231.757812 MB of memory in use. ENERGY: 140600 4008.7162 20410.1746 14417.9051 238.0121 -203018.9236 2403.7088 0.0000 0.0000 51671.8786 -109868.5282 296.9590 -161540.4068 -109504.1400 298.1118 -267.5394 -236.5144 761561.0627 -6.6069 -6.6334 PRESSURE: 140800 276.997 296.994 -5.86553 296.994 -176.06 54.2113 -5.86689 54.211 128.562 GPRESSURE: 140800 193.051 224.158 109.451 279.195 -73.0965 91.1685 16.526 -37.3794 196.157 PRESSAVG: 140800 17.0989 -16.8867 32.4591 -16.8868 -40.1654 3.81493 32.4591 3.81501 -6.19902 GPRESSAVG: 140800 17.8696 -17.4857 30.3013 -16.206 -40.4708 3.6249 34.0941 4.1666 -6.89278 TIMING: 140800 CPU: 442.547, 0.00313846/step Wall: 442.547, 0.00313846/step, 4.23623 hours remaining, 231.757812 MB of memory in use. ENERGY: 140800 3970.9833 20542.8421 14469.4522 231.2084 -203332.4515 2416.6531 0.0000 0.0000 51948.6833 -109752.6291 298.5498 -161701.3124 -109396.3765 298.1629 76.4999 105.3705 761075.5889 -9.7552 -9.8313 PRESSURE: 141000 -13.9051 -37.4918 -368.024 -37.4923 80.4643 -37.1367 -368.024 -37.1362 -350.005 GPRESSURE: 141000 34.2495 -92.2709 -375.015 -77.0268 55.1913 14.2993 -272.788 -167.734 -299.267 PRESSAVG: 141000 29.4009 7.72124 -2.19505 7.72131 -37.8416 -25.9723 -2.19498 -25.9723 -15.804 GPRESSAVG: 141000 28.587 7.19847 -1.4935 6.04491 -38.2801 -26.5159 -2.50568 -26.6106 -14.752 TIMING: 141000 CPU: 443.175, 0.00314138/step Wall: 443.175, 0.00314138/step, 4.23999 hours remaining, 231.757812 MB of memory in use. ENERGY: 141000 3982.0618 20587.1161 14508.2593 273.0133 -203250.1677 2428.8891 0.0000 0.0000 51785.5861 -109685.2421 297.6125 -161470.8282 -109335.9024 298.5319 -94.4818 -69.9420 759843.4851 -8.0816 -8.1484 PRESSURE: 141200 46.315 -182.907 -52.535 -182.907 100.062 -38.2191 -52.535 -38.2195 26.8973 GPRESSURE: 141200 111.701 -34.4665 -8.57774 -233.912 149.585 -147.838 -89.0092 18.8304 -4.7098 PRESSAVG: 141200 15.9336 16.3638 -4.84346 16.3638 -49.1403 6.86963 -4.84341 6.86964 -6.36671 GPRESSAVG: 141200 16.6886 18.6073 -3.89832 17.6493 -48.3147 7.91886 -6.33996 5.46642 -8.13071 TIMING: 141200 CPU: 443.801, 0.00312849/step Wall: 443.801, 0.00312849/step, 4.22242 hours remaining, 231.757812 MB of memory in use. ENERGY: 141200 3985.6350 20536.9559 14443.0605 238.4295 -203847.9735 2974.6144 0.0000 0.0000 52043.6094 -109625.6689 299.0953 -161669.2783 -109273.8952 298.7035 57.7580 85.5252 759923.2385 -13.1911 -13.2523 PRESSURE: 141400 -169.667 -49.3988 49.5601 -49.399 65.4568 -4.63429 49.5597 -4.63544 -68.8838 GPRESSURE: 141400 -133.678 -59.6305 44.3566 -165.725 135.438 59.5986 63.8095 -61.6258 -80.3377 PRESSAVG: 141400 -16.7639 -28.523 21.913 -28.523 21.5741 3.49861 21.913 3.49853 8.41541 GPRESSAVG: 141400 -17.7958 -30.092 21.8055 -27.0094 22.0716 3.35945 24.5053 4.1937 9.0464 TIMING: 141400 CPU: 444.428, 0.00313482/step Wall: 444.428, 0.00313482/step, 4.23079 hours remaining, 231.757812 MB of memory in use. ENERGY: 141400 3961.0075 20432.7568 14451.6925 236.3084 -203139.8906 2362.9580 0.0000 0.0000 52024.0514 -109671.1160 298.9829 -161695.1674 -109311.6984 299.4389 -57.6981 -26.1926 761637.0186 4.4085 4.4407 PRESSURE: 141600 93.6099 -161.152 135.725 -161.153 -226.198 22.0566 135.724 22.0563 162.336 GPRESSURE: 141600 56.0577 -70.0011 137.129 -222.343 -202.333 6.43171 -147.395 146.724 269.516 PRESSAVG: 141600 8.63958 -38.2155 22.7626 -38.2155 -22.7055 8.15988 22.7625 8.1599 19.3651 GPRESSAVG: 141600 8.36231 -36.0582 23.777 -40.627 -22.7768 9.11893 19.9596 9.45871 19.5694 TIMING: 141600 CPU: 445.057, 0.0031455/step Wall: 445.057, 0.0031455/step, 4.24502 hours remaining, 231.757812 MB of memory in use. ENERGY: 141600 3980.1215 20236.2906 14522.9907 247.5477 -203329.1313 2470.1525 0.0000 0.0000 52153.2487 -109718.7796 299.7254 -161872.0283 -109349.7997 299.0716 9.9158 41.0802 760583.7698 1.7664 1.7183 PRESSURE: 141800 52.2823 19.0541 127.621 19.0539 -291.769 -26.8097 127.62 -26.8106 -336.933 GPRESSURE: 141800 87.0536 -53.5881 120.573 44.0076 -317.094 25.2799 19.1818 66.3827 -267.29 PRESSAVG: 141800 38.3848 -10.2491 35.3943 -10.249 -3.82825 -3.80321 35.3944 -3.80321 -0.141083 GPRESSAVG: 141800 38.7284 -12.0711 34.8102 -9.53245 -3.58384 -3.99694 36.1635 -6.079 -0.632815 TIMING: 141800 CPU: 445.684, 0.00313574/step Wall: 445.684, 0.00313574/step, 4.23168 hours remaining, 231.757812 MB of memory in use. ENERGY: 141800 3924.2226 20538.8632 14519.6209 221.5330 -202944.1760 2283.0414 0.0000 0.0000 51933.0713 -109523.8234 298.4601 -161456.8947 -109162.3995 298.6540 -192.1399 -165.7769 762856.3106 11.4718 11.5039 PRESSURE: 142000 234.301 -193.921 -52.131 -193.921 199.015 -82.4329 -52.1307 -82.4318 148.816 GPRESSURE: 142000 294.238 -169.609 -10.0497 -89.7784 301.477 -7.82579 18.3062 -135.194 64.2106 PRESSAVG: 142000 15.3799 -27.9891 -10.2584 -27.9891 -9.24527 -2.32071 -10.2584 -2.32066 11.7586 GPRESSAVG: 142000 15.0961 -29.2701 -11.1609 -27.873 -10.0385 -2.46722 -9.69441 0.00679812 12.3829 TIMING: 142000 CPU: 446.311, 0.0031365/step Wall: 446.311, 0.0031365/step, 4.23253 hours remaining, 231.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 142000 3943.8880 20481.6192 14446.7527 252.2203 -203336.8989 2634.0683 0.0000 0.0000 51982.0987 -109596.2518 298.7418 -161578.3505 -109244.2525 299.0132 194.0441 219.9752 760160.7246 5.9644 5.8135 PRESSURE: 142200 -552.835 97.1206 -8.66559 97.1202 107.113 102.469 -8.66527 102.468 -25.6449 GPRESSURE: 142200 -481.724 187.067 -121.076 115.547 45.1267 100.459 69.6655 -8.17006 44.4537 PRESSAVG: 142200 5.96057 9.8202 70.9642 9.82019 33.336 -3.75194 70.9642 -3.7519 -4.99189 GPRESSAVG: 142200 6.41092 8.81383 71.0108 12.0921 32.1267 -4.03634 71.7077 -3.9645 -4.88188 TIMING: 142200 CPU: 446.939, 0.0031388/step Wall: 446.939, 0.0031388/step, 4.23546 hours remaining, 231.757812 MB of memory in use. ENERGY: 142200 4008.8173 20591.7137 14486.0474 208.1145 -203202.4488 2479.9049 0.0000 0.0000 51907.7126 -109520.1385 298.3143 -161427.8511 -109158.4933 298.8771 -157.1225 -130.7144 760997.4437 11.4349 11.2186 PRESSURE: 142400 186.448 34.2007 7.03601 34.1996 92.035 -123.301 7.03582 -123.302 -283.143 GPRESSURE: 142400 170.559 21.3682 -45.3545 -35.179 134.243 -110.856 58.8672 -244.267 -206.27 PRESSAVG: 142400 -24.1151 -39.6012 -9.45811 -39.6012 38.1602 -7.63229 -9.45806 -7.6323 -0.78294 GPRESSAVG: 142400 -24.3396 -38.9185 -9.5147 -41.0876 39.2227 -6.33206 -8.34787 -9.9791 -1.77739 TIMING: 142400 CPU: 447.569, 0.00314956/step Wall: 447.569, 0.00314956/step, 4.24981 hours remaining, 231.757812 MB of memory in use. ENERGY: 142400 4081.7135 20325.1561 14406.6076 245.9938 -203498.9664 2511.7854 0.0000 0.0000 52250.5375 -109677.1726 300.2846 -161927.7101 -109308.6370 298.8896 -1.5533 32.8441 759566.7045 4.4207 4.3686 PRESSURE: 142600 72.7594 -162.012 63.5107 -162.012 -65.3912 127.369 63.5103 127.369 -46.2893 GPRESSURE: 142600 29.554 -247.566 48.6292 51.562 8.61887 -3.22758 51.1019 128.955 23.935 PRESSAVG: 142600 41.253 -12.3337 5.46727 -12.3338 -25.4231 -19.9496 5.46727 -19.9495 -4.70978 GPRESSAVG: 142600 41.4541 -11.4442 5.96406 -11.5448 -27.458 -21.5096 3.38402 -20.0282 -3.0063 TIMING: 142600 CPU: 448.197, 0.00313798/step Wall: 448.197, 0.00313798/step, 4.234 hours remaining, 231.757812 MB of memory in use. ENERGY: 142600 3985.4213 20192.3671 14402.6494 246.5275 -202819.0579 2374.1637 0.0000 0.0000 52000.8035 -109617.1256 298.8493 -161617.9291 -109254.1352 299.1567 -12.9737 20.7026 758773.6310 3.7067 3.6633 PRESSURE: 142800 -172.823 237.948 -68.7057 237.948 137.361 129.973 -68.7056 129.974 97.1356 GPRESSURE: 142800 14.9634 196.158 -98.9099 260.222 38.3479 132.109 -38.7371 168.736 91.7741 PRESSAVG: 142800 -1.85885 -37.349 71.1823 -37.349 -40.3826 -13.0888 71.1824 -13.0888 -32.4188 GPRESSAVG: 142800 -1.23467 -38.5811 69.9541 -36.7717 -39.1976 -12.1904 72.1482 -12.013 -34.3192 TIMING: 142800 CPU: 448.825, 0.00314125/step Wall: 448.825, 0.00314124/step, 4.23824 hours remaining, 231.757812 MB of memory in use. ENERGY: 142800 3947.5982 20391.8887 14409.6512 241.1461 -202908.0805 2219.7711 0.0000 0.0000 51963.7437 -109734.2816 298.6363 -161698.0253 -109378.8567 298.8833 20.5577 48.3618 758628.0737 -24.8867 -24.9172 PRESSURE: 143000 356.04 -62.4887 65.3759 -62.4893 -5.42319 82.7183 65.3752 82.7186 314.944 GPRESSURE: 143000 358.13 -0.867878 -0.834943 -45.1806 120.28 -39.0332 143.43 120.278 272.119 PRESSAVG: 143000 29.5838 -42.0012 23.5788 -42.0013 -5.41375 20.569 23.5788 20.569 17.2058 GPRESSAVG: 143000 28.8794 -41.1497 25.9356 -43.6414 -5.50906 19.2979 23.7766 18.6903 18.0081 TIMING: 143000 CPU: 449.458, 0.00316572/step Wall: 449.458, 0.00316572/step, 4.27108 hours remaining, 231.757812 MB of memory in use. ENERGY: 143000 3895.1604 20410.7492 14481.4573 256.5004 -203694.8504 2938.1830 0.0000 0.0000 52107.2219 -109605.5782 299.4609 -161712.8001 -109248.6555 298.7426 221.8535 250.1763 759971.5948 13.7920 13.7928 PRESSURE: 143200 -138.625 -23.2571 55.7886 -23.2577 -40.9641 170.989 55.7893 170.989 -405.383 GPRESSURE: 143200 -35.4643 -21.7052 -12.2008 29.9437 -73.7968 174.775 -10.2685 193.988 -397.034 PRESSAVG: 143200 11.5094 11.2739 15.8925 11.2739 -19.2956 5.6116 15.8924 5.61169 -3.94283 GPRESSAVG: 143200 12.1099 11.4617 16.3962 12.6983 -18.3842 5.65155 16.127 7.50792 -4.99827 TIMING: 143200 CPU: 450.084, 0.00313008/step Wall: 450.084, 0.00313008/step, 4.22282 hours remaining, 231.757812 MB of memory in use. ENERGY: 143200 4027.6892 20612.7734 14476.7681 247.4824 -203504.2488 2741.2535 0.0000 0.0000 52071.2304 -109327.0517 299.2541 -161398.2822 -108973.1064 299.4844 -194.9905 -168.7651 761734.9826 -3.9097 -3.7575 PRESSURE: 143400 71.0796 -212.332 -185.03 -212.332 -59.3523 16.2107 -185.029 16.2107 129.402 GPRESSURE: 143400 122.964 -191.354 -127.107 -106.845 10.8083 59.6587 -78.7891 -49.3643 87.902 PRESSAVG: 143400 -55.7617 -74.5611 42.366 -74.5612 8.06931 -20.8541 42.366 -20.8541 -21.3499 GPRESSAVG: 143400 -55.0848 -73.6965 41.8377 -75.4659 7.73267 -20.6818 40.8874 -21.1127 -21.0111 TIMING: 143400 CPU: 450.71, 0.00312987/step Wall: 450.71, 0.00312987/step, 4.22237 hours remaining, 231.757812 MB of memory in use. ENERGY: 143400 3942.2098 20479.0010 14443.2936 226.3853 -202861.3936 2375.5668 0.0000 0.0000 52167.2315 -109227.7056 299.8058 -161394.9371 -108871.9696 299.7474 47.0430 73.8914 762169.6065 -23.0141 -22.7877 PRESSURE: 143600 143.589 122.168 5.14002 122.168 -21.5131 54.3675 5.14038 54.367 226.218 GPRESSURE: 143600 110.963 163.349 64.8213 50.7953 52.4045 78.407 10.7746 0.924348 270.243 PRESSAVG: 143600 20.7111 -57.0625 3.53867 -57.0624 6.3798 -8.03124 3.53865 -8.0312 -6.10479 GPRESSAVG: 143600 19.5496 -58.1355 3.46976 -56.2418 7.17813 -8.14505 5.14233 -7.19555 -5.81668 TIMING: 143600 CPU: 451.338, 0.00314077/step Wall: 451.338, 0.00314077/step, 4.2369 hours remaining, 231.757812 MB of memory in use. ENERGY: 143600 3973.8415 20312.6046 14454.9292 228.7411 -203391.7888 2838.0684 0.0000 0.0000 52209.1033 -109374.5007 300.0464 -161583.6040 -109000.9085 299.5959 116.0982 144.5369 761703.2582 6.9954 6.9703 PRESSURE: 143800 -18.4797 -118.103 134.941 -118.103 56.5633 -41.5847 134.941 -41.5836 -144.405 GPRESSURE: 143800 6.52329 -159.301 186.712 -68.7118 102.597 -64.8457 169.343 -67.7773 -120.809 PRESSAVG: 143800 -24.2187 12.8294 15.5278 12.8294 -5.46451 34.2049 15.5277 34.2049 -11.4383 GPRESSAVG: 143800 -22.92 11.1374 15.04 13.4201 -7.26809 34.8486 14.6055 32.5983 -10.663 TIMING: 143800 CPU: 451.968, 0.00314736/step Wall: 451.968, 0.00314736/step, 4.24561 hours remaining, 231.757812 MB of memory in use. ENERGY: 143800 3899.1618 20340.1746 14447.1546 243.9178 -203486.5283 2789.7604 0.0000 0.0000 52494.0562 -109272.3030 301.6841 -161766.3591 -108903.8015 299.8764 -35.4405 -3.8964 761000.1955 -13.7071 -13.6170 PRESSURE: 144000 -102.578 -140.353 -23.1578 -140.353 160.511 -47.7171 -23.1585 -47.7176 -143.501 GPRESSURE: 144000 -0.238882 -77.2595 -43.0521 -95.115 110.534 -77.3096 -133.527 5.72442 -102 PRESSAVG: 144000 -40.7541 -20.9857 -27.6915 -20.9858 15.5396 -31.7261 -27.6915 -31.7261 -1.37372 GPRESSAVG: 144000 -41.6298 -20.1407 -28.1279 -21.2075 15.4493 -30.0985 -27.592 -30.1164 -0.962525 TIMING: 144000 CPU: 452.597, 0.00314492/step Wall: 452.597, 0.00314492/step, 4.24215 hours remaining, 231.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 144000 3997.8320 20532.5295 14422.3557 226.5771 -203332.8021 2598.0681 0.0000 0.0000 52150.9051 -109404.5346 299.7120 -161555.4396 -109041.8389 299.6601 -28.5224 2.7653 760670.2932 -8.8627 -9.0477 PRESSURE: 144200 -235.199 12.8929 -167.997 12.8928 -140.249 291.568 -167.996 291.567 54.5812 GPRESSURE: 144200 -196.011 -30.9143 -96.4762 5.66582 -53.2387 362.95 -96.7764 357.768 26.6518 PRESSAVG: 144200 -38.1683 -31.882 17.5825 -31.8819 82.8315 -11.5739 17.5824 -11.5739 22.5762 GPRESSAVG: 144200 -37.7719 -29.866 18.9611 -32.8614 83.8703 -12.6289 15.3975 -10.7611 22.0278 TIMING: 144200 CPU: 453.227, 0.00315321/step Wall: 453.227, 0.00315321/step, 4.25315 hours remaining, 231.757812 MB of memory in use. ENERGY: 144200 4035.7007 20494.1168 14411.3940 245.1040 -202939.4740 2348.0337 0.0000 0.0000 52024.4780 -109380.6467 298.9854 -161405.1248 -109018.9927 299.7718 -106.9553 -74.1995 760399.2753 22.4131 22.7087 LDB: ============= START OF LOAD BALANCING ============== 465.628 LDB: ============== END OF LOAD BALANCING =============== 465.628 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 465.63 LDB: ============= START OF LOAD BALANCING ============== 465.944 LDB: Largest compute 7026 load 0.032508 is 16.6% of average load 0.195473 LDB: Average compute 0.004353 is 2.2% of average load 0.195473 LDB: TIME 465.947 LOAD: AVG 0.195473 MAX 0.218183 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.27 MB LDB: TIME 465.948 LOAD: AVG 0.195473 MAX 0.218183 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.27 MB LDB: TIME 465.948 LOAD: AVG 0.195473 MAX 0.218081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.27 MB LDB: ============== END OF LOAD BALANCING =============== 465.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 465.955 PRESSURE: 144400 -453.921 -177.188 -53.4045 -177.188 227.51 -92.2673 -53.4049 -92.2666 142.577 GPRESSURE: 144400 -323.656 -159.55 -77.5663 -181.527 256.828 -127.987 -2.84333 -108.319 55.0407 PRESSAVG: 144400 -50.3663 -85.6291 20.8551 -85.6292 38.421 29.2897 20.8551 29.2897 -3.35998 GPRESSAVG: 144400 -50.2989 -87.1369 20.0086 -83.9409 38.4012 29.7401 23.113 26.6948 -3.29573 TIMING: 144400 CPU: 453.872, 0.00322508/step Wall: 453.872, 0.00322508/step, 4.34992 hours remaining, 232.531250 MB of memory in use. ENERGY: 144400 4013.1132 20529.8947 14452.4653 238.4551 -203023.9990 2251.2153 0.0000 0.0000 51979.8837 -109558.9718 298.7291 -161538.8555 -109201.3564 299.6766 -27.9444 -3.9292 762179.9960 -5.1018 -5.0645 PRESSURE: 144600 -145.065 103.806 113.566 103.807 -152.196 -4.59859 113.566 -4.5989 89.2162 GPRESSURE: 144600 -101.11 -11.0657 114.931 -18.3219 -163.105 -20.714 114.95 -56.2012 120.635 PRESSAVG: 144600 -6.04914 -53.7835 48.3726 -53.7834 27.6136 71.4758 48.3726 71.4759 -0.147159 GPRESSAVG: 144600 -5.40696 -55.3695 46.5085 -54.2266 26.9024 67.5967 50.2577 73.2389 0.478286 TIMING: 144600 CPU: 454.502, 0.00315/step Wall: 454.502, 0.00315/step, 4.24848 hours remaining, 232.734375 MB of memory in use. ENERGY: 144600 3979.7080 20388.6979 14437.9874 229.5884 -203304.3753 2383.1541 0.0000 0.0000 52227.2097 -109658.0298 300.1505 -161885.2395 -109302.2602 299.0806 -69.3483 -47.8601 761590.7492 7.1391 7.3246 PRESSURE: 144800 -339.308 -150.299 233.806 -150.298 121.184 103.685 233.806 103.684 261.334 GPRESSURE: 144800 -267.761 -186.308 174.062 -117.203 49.4485 136.322 275.295 99.2551 334.906 PRESSAVG: 144800 -8.2683 -21.0711 -67.5518 -21.0711 12.8399 56.4659 -67.5519 56.4658 22.0332 GPRESSAVG: 144800 -8.65538 -20.8717 -66.9358 -21.0662 13.6393 59.2239 -68.5593 55.6194 21.954 TIMING: 144800 CPU: 455.135, 0.00316215/step Wall: 455.135, 0.00316215/step, 4.26469 hours remaining, 232.937500 MB of memory in use. ENERGY: 144800 3988.6129 20451.3919 14461.7082 238.1581 -202987.7776 2135.5343 0.0000 0.0000 52011.3370 -109701.0351 298.9099 -161712.3721 -109340.8407 298.9272 14.4032 38.8645 762197.8490 8.8683 8.9793 PRESSURE: 145000 -106.692 26.5305 -70.3416 26.5308 -440.85 116.727 -70.3422 116.727 -519.494 GPRESSURE: 145000 4.77772 19.7438 -41.9432 -106.18 -505.201 -41.6534 -48.7153 117.937 -497.833 PRESSAVG: 145000 -55.5992 -13.6736 36.2663 -13.6736 40.4221 34.7379 36.2662 34.738 13.3409 GPRESSAVG: 145000 -54.2642 -12.364 38.4111 -14.3049 39.2226 34.9945 36.528 34.5956 13.123 TIMING: 145000 CPU: 455.765, 0.00315093/step Wall: 455.765, 0.00315093/step, 4.24938 hours remaining, 232.937500 MB of memory in use. ENERGY: 145000 4062.2524 20315.3735 14450.4984 245.9136 -203605.6155 2386.4011 0.0000 0.0000 52212.8132 -109932.3633 300.0678 -162145.1765 -109563.9527 298.7244 -355.6785 -332.7521 760874.5874 -0.6121 -0.6395 PRESSURE: 145200 160.273 -190.815 208.363 -190.815 -34.6026 -266.409 208.364 -266.409 -315.314 GPRESSURE: 145200 148.922 -101.329 247.317 -114.019 -20.841 -188.147 51.9577 -179.071 -235.174 PRESSAVG: 145200 -0.760948 -70.9475 22.8058 -70.9475 41.2626 -10.7294 22.8058 -10.7294 11.4835 GPRESSAVG: 145200 -2.24505 -71.0426 21.6913 -70.1011 42.903 -11.5701 22.0262 -10.0836 12.1088 TIMING: 145200 CPU: 456.399, 0.00316977/step Wall: 456.399, 0.00316977/step, 4.27461 hours remaining, 232.937500 MB of memory in use. ENERGY: 145200 4071.3512 20567.0610 14380.0984 240.4765 -203142.5257 2304.7559 0.0000 0.0000 51836.0827 -109742.7000 297.9027 -161578.7827 -109382.7999 298.7962 -63.2145 -35.6978 761055.3321 17.3284 17.5889 PRESSURE: 145400 -98.5255 67.6778 236.49 67.6777 108.324 -97.5793 236.491 -97.5798 -35.1854 GPRESSURE: 145400 29.3326 -52.8603 181.913 106.276 92.5311 -109.831 204.701 -131.196 -51.8651 PRESSAVG: 145400 20.3707 -31.2933 -33.876 -31.2932 23.4623 24.9266 -33.876 24.9266 -1.74518 GPRESSAVG: 145400 21.0211 -32.4239 -34.1409 -30.5953 23.7631 25.5974 -33.0926 26.9473 -2.85122 TIMING: 145400 CPU: 457.028, 0.00314735/step Wall: 457.028, 0.00314735/step, 4.2442 hours remaining, 232.937500 MB of memory in use. ENERGY: 145400 3947.1822 20375.7736 14389.4517 246.2027 -203332.8107 2658.8361 0.0000 0.0000 52029.3347 -109686.0295 299.0133 -161715.3642 -109322.3235 299.0034 -8.4622 23.3329 762151.4950 14.0293 13.9777 PRESSURE: 145600 -110.019 -91.888 -55.8445 -91.8891 -95.0787 27.9164 -55.8449 27.9162 -446.22 GPRESSURE: 145600 -105.017 7.18841 7.67016 -140.931 -96.1694 -33.0301 -49.9557 31.4805 -386.221 PRESSAVG: 145600 -1.41801 -21.8554 -30.1908 -21.8554 9.69248 -27.9556 -30.1907 -27.9556 -0.999257 GPRESSAVG: 145600 -2.27207 -19.8281 -29.7888 -21.7318 9.43715 -27.1204 -30.7152 -30.627 -0.0651607 TIMING: 145600 CPU: 457.662, 0.00316957/step Wall: 457.662, 0.00316957/step, 4.27398 hours remaining, 232.937500 MB of memory in use. ENERGY: 145600 3979.4625 20382.2753 14403.5134 250.1134 -203582.2818 2694.7587 0.0000 0.0000 52157.7982 -109714.3603 299.7516 -161872.1584 -109348.6202 299.0076 -217.1060 -195.8025 763383.4552 2.4251 2.3666 PRESSURE: 145800 56.5751 -155.036 22.262 -155.036 398.72 63.5789 22.2623 63.5787 158.058 GPRESSURE: 145800 34.5431 -140.039 4.69363 -68.3412 418.692 51.634 -73.6895 69.5617 244.662 PRESSAVG: 145800 22.5778 -15.6775 -35.1625 -15.6775 21.2525 48.6629 -35.1625 48.6629 -2.83848 GPRESSAVG: 145800 23.9961 -16.0212 -36.1741 -14.7216 20.5416 47.0774 -34.2206 50.653 -3.25164 TIMING: 145800 CPU: 458.294, 0.00316065/step Wall: 458.294, 0.00316065/step, 4.26178 hours remaining, 232.937500 MB of memory in use. ENERGY: 145800 3984.5929 20616.2334 14426.1460 242.3217 -203960.2079 3003.3809 0.0000 0.0000 51940.2837 -109747.2493 298.5015 -161687.5329 -109385.3336 299.2164 204.4510 232.6324 761653.0674 13.6640 13.7620 PRESSURE: 146000 -13.9888 -104.339 -180.073 -104.338 -150.574 -140.052 -180.073 -140.051 391.702 GPRESSURE: 146000 -13.073 -185.212 -138.606 -73.6174 30.4034 -102.624 -159.043 -100.603 260.194 PRESSAVG: 146000 -16.7613 -22.9435 -68.1254 -22.9435 11.5679 65.4243 -68.1253 65.4243 -2.43199 GPRESSAVG: 146000 -18.4633 -25.5474 -67.0777 -26.5488 12.4926 65.2281 -69.5212 66.4178 -1.85787 TIMING: 146000 CPU: 458.928, 0.00316734/step Wall: 458.928, 0.00316734/step, 4.27063 hours remaining, 232.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 146000 4044.0180 20570.2406 14449.7499 237.3636 -203583.3345 2631.0605 0.0000 0.0000 52040.0675 -109610.8343 299.0750 -161650.9018 -109241.6051 299.4057 75.7128 92.5083 761423.1387 -2.5418 -2.6095 PRESSURE: 146200 -156.591 -40.2252 -62.4372 -40.2259 -147.705 -44.2035 -62.4371 -44.2027 -13.8424 GPRESSURE: 146200 -48.7634 -51.1302 8.7767 66.9345 -194.079 -1.22959 -36.5233 -154.18 -3.59084 PRESSAVG: 146200 -25.631 -61.0795 20.694 -61.0796 60.6753 20.4755 20.694 20.4754 -20.3643 GPRESSAVG: 146200 -24.3543 -62.0076 21.366 -60.7429 60.0915 20.2742 19.6699 18.2608 -20.0922 TIMING: 146200 CPU: 459.559, 0.00315723/step Wall: 459.559, 0.00315723/step, 4.25682 hours remaining, 232.937500 MB of memory in use. ENERGY: 146200 3973.8677 20520.8447 14381.5310 249.4574 -202896.7939 2262.1210 0.0000 0.0000 51928.3874 -109580.5845 298.4332 -161508.9720 -109222.6239 298.9917 -106.0462 -82.1443 761129.4644 4.8933 5.2150 PRESSURE: 146400 -136.342 -138.045 128.441 -138.045 -111.948 -115.316 128.441 -115.315 -184.501 GPRESSURE: 146400 -95.145 36.4392 74.9987 -15.4259 -129.216 -144.839 106.222 -8.40653 -119.055 PRESSAVG: 146400 -37.3287 -66.036 -15.1235 -66.036 -0.924663 -1.29422 -15.1235 -1.29417 -3.84414 GPRESSAVG: 146400 -36.9205 -62.7627 -15.3038 -65.4565 -1.48529 -1.54735 -14.4251 -1.05381 -3.47188 TIMING: 146400 CPU: 460.192, 0.00316488/step Wall: 460.192, 0.00316488/step, 4.26696 hours remaining, 232.937500 MB of memory in use. ENERGY: 146400 3984.1972 20547.6848 14407.4648 244.8462 -203140.7715 2388.9273 0.0000 0.0000 52131.5043 -109436.1469 299.6005 -161567.6512 -109079.3805 299.3934 -144.2637 -114.4721 760289.4886 -14.0325 -13.9592 PRESSURE: 146600 -26.0217 -27.3755 24.0132 -27.3759 -120.484 -40.112 24.0135 -40.1116 126.944 GPRESSURE: 146600 12.9953 -120.834 -31.1604 -139.51 -30.5714 -50.6051 70.3632 4.77653 51.76 PRESSAVG: 146600 -3.23653 -77.499 -22.2499 -77.499 -18.6773 24.3887 -22.2499 24.3887 7.70446 GPRESSAVG: 146600 -3.74749 -77.1387 -22.5253 -78.0025 -18.379 25.3134 -21.1405 25.3975 8.00694 TIMING: 146600 CPU: 460.824, 0.00316112/step Wall: 460.824, 0.00316112/step, 4.26171 hours remaining, 232.937500 MB of memory in use. ENERGY: 146600 4004.9077 20738.2678 14403.3124 248.8142 -203477.4755 2585.6720 0.0000 0.0000 52070.4319 -109426.0696 299.2495 -161496.5015 -109062.4551 299.5396 -6.5206 11.3946 761204.3052 -4.7364 -4.7065 PRESSURE: 146800 96.3486 -243.319 96.198 -243.318 152.428 64.9702 96.1982 64.9695 -328.98 GPRESSURE: 146800 70.7194 -272.483 164.71 -107.972 180.622 74.6212 54.9541 -107.961 -227.287 PRESSAVG: 146800 -42.5547 -96.5412 2.45764 -96.5413 22.1343 4.34641 2.45768 4.34644 -7.20829 GPRESSAVG: 146800 -42.1769 -99.2062 2.58502 -92.9786 22.1063 2.85368 0.75815 4.10228 -7.3276 TIMING: 146800 CPU: 461.456, 0.00315743/step Wall: 461.456, 0.00315743/step, 4.25657 hours remaining, 232.937500 MB of memory in use. ENERGY: 146800 3963.3557 20539.0137 14396.6340 240.5110 -203297.0571 2410.9778 0.0000 0.0000 52169.4414 -109577.1235 299.8185 -161746.5648 -109218.6274 299.1918 -26.7343 8.0184 761973.3573 -9.2095 -9.1327 PRESSURE: 147000 314.885 -71.7065 -218.713 -71.7065 -69.718 64.9784 -218.712 64.9789 389.113 GPRESSURE: 147000 326.331 33.3017 -238.771 -66.2378 41.1079 62.8109 -142.249 53.6351 352.468 PRESSAVG: 147000 -8.51438 -82.9501 -58.7011 -82.9501 7.97917 -3.45356 -58.7011 -3.45361 10.4661 GPRESSAVG: 147000 -8.2527 -80.9984 -59.6219 -85.0235 8.56837 -2.46694 -57.2732 -2.54061 10.3012 TIMING: 147000 CPU: 462.087, 0.0031554/step Wall: 462.087, 0.0031554/step, 4.25365 hours remaining, 232.937500 MB of memory in use. ENERGY: 147000 3978.1154 20536.1730 14419.5707 245.0556 -203559.9558 2670.2636 0.0000 0.0000 51989.3112 -109721.4661 298.7833 -161710.7773 -109354.5386 299.2891 211.4267 239.9689 762045.1777 3.3103 3.5390 PRESSURE: 147200 -172.612 -88.6311 219.752 -88.631 -422.832 47.6881 219.753 47.6882 -27.2968 GPRESSURE: 147200 -164.765 -109.381 195.151 -80.4109 -396.18 12.558 162.104 21.69 -0.644967 PRESSAVG: 147200 -12.2003 -20.1127 -20.128 -20.1128 5.2938 6.76027 -20.128 6.76024 -13.5103 GPRESSAVG: 147200 -11.9191 -23.1992 -21.5412 -19.3736 4.74929 7.3334 -18.6293 6.23169 -12.8819 TIMING: 147200 CPU: 462.718, 0.00315328/step Wall: 462.718, 0.00315329/step, 4.25063 hours remaining, 232.937500 MB of memory in use. ENERGY: 147200 3994.0820 20525.1338 14348.6031 245.3030 -203375.1984 2523.0191 0.0000 0.0000 52105.8946 -109633.1628 299.4533 -161739.0573 -109282.9081 299.3389 -207.5804 -187.1967 762326.3581 -6.8056 -6.6839 PRESSURE: 147400 32.5781 -182.641 198.864 -182.641 95.6452 209.116 198.864 209.114 358.207 GPRESSURE: 147400 83.5902 -207.57 193.818 -142.08 166.7 235.845 180.353 149.353 322.415 PRESSAVG: 147400 -20.2633 -74.9236 26.3592 -74.9236 8.97559 13.7424 26.3592 13.7424 -11.3719 GPRESSAVG: 147400 -19.6406 -72.3131 27.4881 -76.3422 9.14196 12.758 25.4259 12.5927 -12.2764 TIMING: 147400 CPU: 463.352, 0.00317161/step Wall: 463.352, 0.00317161/step, 4.27516 hours remaining, 232.937500 MB of memory in use. ENERGY: 147400 3922.1925 20518.7724 14388.9967 227.8451 -203688.7058 2747.3174 0.0000 0.0000 52010.0876 -109873.4942 298.9027 -161883.5818 -109511.6836 298.8908 162.1434 190.9016 760729.2727 -7.5532 -7.5917 PRESSURE: 147600 72.3975 -121.61 98.1145 -121.61 90.901 -103.563 98.1141 -103.563 356.007 GPRESSURE: 147600 75.42 -114.885 199.956 -108.006 128.689 -113.048 131.167 -100.151 413.153 PRESSAVG: 147600 -50.7244 -56.5857 -20.2592 -56.5857 33.4107 36.0549 -20.2592 36.0549 -4.70392 GPRESSAVG: 147600 -52.2607 -55.9262 -19.2089 -57.3447 33.6141 36.9296 -21.2576 36.1282 -3.35663 TIMING: 147600 CPU: 463.989, 0.00318507/step Wall: 463.989, 0.00318507/step, 4.29312 hours remaining, 232.937500 MB of memory in use. ENERGY: 147600 3932.7170 20510.3116 14450.1776 254.9163 -203657.3764 2588.2933 0.0000 0.0000 52129.2327 -109791.7280 299.5874 -161920.9606 -109427.4159 298.7806 173.1020 205.7539 760911.8265 -7.3392 -7.3344 PRESSURE: 147800 -329.298 -159.408 -220.121 -159.408 -416.161 81.1552 -220.121 81.1567 -168.171 GPRESSURE: 147800 -351.992 -143.292 -264.395 -174.855 -379.274 38.1229 -123.089 58.0188 -93.0511 PRESSAVG: 147800 19.0685 -54.9611 -31.2792 -54.9611 -23.6008 43.9881 -31.2793 43.9882 14.7772 GPRESSAVG: 147800 18.7975 -58.5591 -30.724 -55.7304 -23.2271 43.1382 -31.3632 43.2853 14.7426 TIMING: 147800 CPU: 464.625, 0.00317753/step Wall: 464.625, 0.00317753/step, 4.28278 hours remaining, 232.937500 MB of memory in use. ENERGY: 147800 4015.2018 20472.0044 14392.2180 252.1671 -202882.4885 1980.6140 0.0000 0.0000 51826.3578 -109943.9254 297.8468 -161770.2832 -109589.6111 299.1087 -304.5436 -274.7723 760000.9339 3.4150 3.4377 PRESSURE: 148000 -50.9028 -51.1322 -230.215 -51.1321 225.611 -90.9511 -230.215 -90.9518 45.4843 GPRESSURE: 148000 -12.6034 30.0727 -218.646 21.9381 204.281 -147.999 -187.849 -1.17192 94.3691 PRESSAVG: 148000 -5.55923 -63.1095 -32.9963 -63.1095 24.2801 7.18517 -32.9963 7.18515 20.6806 GPRESSAVG: 148000 -5.0929 -59.3346 -34.5763 -61.6122 25.2415 6.93205 -32.0752 9.49836 19.1725 TIMING: 148000 CPU: 465.262, 0.00318523/step Wall: 465.262, 0.00318523/step, 4.29299 hours remaining, 232.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 148000 4092.8430 20380.1024 14500.2849 242.4284 -203656.5813 2668.0853 0.0000 0.0000 51737.8750 -110034.9623 297.3383 -161772.8372 -109676.9730 298.0598 73.3974 95.3488 757814.4950 13.1338 13.1070 PRESSURE: 148200 230.089 5.76234 55.1178 5.7627 38.2531 -18.5248 55.1183 -18.5248 -73.1199 GPRESSURE: 148200 233.568 83.169 65.0536 -18.6563 75.4077 -16.5348 -40.1512 -161.018 -27.8921 PRESSAVG: 148200 -49.1319 -34.5983 -22.3484 -34.5983 78.7486 -34.754 -22.3485 -34.7541 -6.07324 GPRESSAVG: 148200 -48.5563 -33.7452 -20.82 -35.6338 77.5602 -32.8935 -22.11 -34.6227 -5.36681 TIMING: 148200 CPU: 465.897, 0.00317543/step Wall: 465.897, 0.00317543/step, 4.2796 hours remaining, 232.937500 MB of memory in use. ENERGY: 148200 4017.9608 20376.6686 14424.0002 248.1301 -204166.3760 2812.4816 0.0000 0.0000 52116.0571 -110171.0775 299.5117 -162287.1345 -109806.0820 298.1972 65.0742 93.6947 759314.7336 7.8478 7.8790 LDB: ============= START OF LOAD BALANCING ============== 478.295 LDB: ============== END OF LOAD BALANCING =============== 478.295 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 478.297 LDB: ============= START OF LOAD BALANCING ============== 478.614 LDB: Largest compute 7044 load 0.032831 is 16.8% of average load 0.195444 LDB: Average compute 0.004396 is 2.2% of average load 0.195444 LDB: TIME 478.617 LOAD: AVG 0.195444 MAX 0.216307 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.672 MB LDB: TIME 478.618 LOAD: AVG 0.195444 MAX 0.216307 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.742 MB LDB: TIME 478.618 LOAD: AVG 0.195444 MAX 0.216307 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.742 MB LDB: ============== END OF LOAD BALANCING =============== 478.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 478.625 PRESSURE: 148400 -35.9746 -52.5464 130.88 -52.5467 21.5964 28.5321 130.881 28.532 -175.286 GPRESSURE: 148400 -68.6847 -27.7175 77.9508 -58.314 48.0167 -36.4367 31.3216 15.1722 -105.882 PRESSAVG: 148400 -8.39652 -21.4835 -21.6914 -21.4836 -25.1509 44.5469 -21.6914 44.5468 8.7403 GPRESSAVG: 148400 -8.60709 -23.691 -23.1171 -20.0007 -24.4035 42.7956 -23.5202 43.2408 8.12483 TIMING: 148400 CPU: 466.542, 0.00322722/step Wall: 466.542, 0.00322722/step, 4.34922 hours remaining, 231.496094 MB of memory in use. ENERGY: 148400 4028.9596 20601.1930 14363.5575 249.1712 -203785.9956 2621.2925 0.0000 0.0000 51802.7566 -110119.0651 297.7112 -161921.8217 -109761.0240 298.4766 -63.2214 -42.1833 760929.7168 -8.2690 -8.2952 PRESSURE: 148600 298.391 -156.629 549.592 -156.629 -62.8734 248.996 549.593 248.996 -403.309 GPRESSURE: 148600 185.387 -251.906 505.015 -110.233 25.6836 223.08 523.985 87.5448 -294.175 PRESSAVG: 148600 -13.9118 -10.8257 32.0764 -10.8257 2.51202 -8.84261 32.0765 -8.84255 -25.3288 GPRESSAVG: 148600 -13.4917 -10.9892 32.7614 -10.9349 2.32139 -8.05749 34.2107 -8.92645 -25.1772 TIMING: 148600 CPU: 467.174, 0.00315888/step Wall: 467.174, 0.00315888/step, 4.25694 hours remaining, 231.484375 MB of memory in use. ENERGY: 148600 3959.1852 20560.5321 14428.0367 236.7681 -203989.7257 2516.5738 0.0000 0.0000 52117.3725 -110171.2571 299.5193 -162288.6296 -109810.1581 298.3391 -55.9305 -27.7016 760967.2118 -12.2428 -12.1158 PRESSURE: 148800 33.8066 -77.1015 -56.4133 -77.1014 -626.65 130.08 -56.4125 130.08 -145.794 GPRESSURE: 148800 -7.28026 26.7792 37.1159 26.5598 -509.454 186.677 -29.1956 149.794 -130.935 PRESSAVG: 148800 1.94685 -10.4117 64.941 -10.4116 -5.8288 61.0927 64.941 61.0928 -2.72551 GPRESSAVG: 148800 1.50186 -10.8796 65.2357 -9.95235 -5.74243 60.5435 62.8792 61.1192 -2.70735 TIMING: 148800 CPU: 467.807, 0.00316378/step Wall: 467.807, 0.00316378/step, 4.26336 hours remaining, 231.496094 MB of memory in use. ENERGY: 148800 4062.9191 20491.7571 14420.1841 234.3600 -204014.2324 2587.2814 0.0000 0.0000 51955.8280 -110261.9027 298.5909 -162217.7307 -109896.6436 298.5754 -246.2127 -215.8896 760858.3039 -2.2025 -2.3160 PRESSURE: 149000 -78.3108 -99.2231 -83.0931 -99.2233 -227.629 -318.276 -83.0933 -318.276 -96.5591 GPRESSURE: 149000 10.0063 -0.877872 -60.8642 31.1743 -245.382 -297.948 -73.8307 -199.25 -104.279 PRESSAVG: 149000 10.8623 32.0581 27.997 32.0582 -47.6768 -26.6913 27.997 -26.6914 11.0887 GPRESSAVG: 149000 10.5669 30.3348 26.3748 33.3207 -47.7929 -25.9663 30.6563 -26.7045 11.3543 TIMING: 149000 CPU: 468.439, 0.0031632/step Wall: 468.439, 0.0031632/step, 4.26241 hours remaining, 231.496094 MB of memory in use. ENERGY: 149000 3992.9152 20470.5276 14412.3440 223.0012 -203943.9790 2650.2161 0.0000 0.0000 51972.3197 -110222.6552 298.6856 -162194.9749 -109864.5664 298.5872 -134.1664 -113.2185 759662.7226 -8.5752 -8.6239 PRESSURE: 149200 351.55 -42.9034 -134.605 -42.9035 284.137 65.9769 -134.605 65.9771 419.851 GPRESSURE: 149200 431.149 6.60656 -61.8157 -28.0873 302.8 67.1069 -136.787 38.9301 413.189 PRESSAVG: 149200 9.02353 -19.8469 -20.5851 -19.8468 7.21956 -11.729 -20.5852 -11.729 14.004 GPRESSAVG: 149200 10.0552 -18.1361 -20.6964 -21.0555 7.13613 -11.043 -20.086 -11.6515 13.4969 TIMING: 149200 CPU: 469.072, 0.00316171/step Wall: 469.072, 0.00316171/step, 4.26022 hours remaining, 231.496094 MB of memory in use. ENERGY: 149200 3972.5757 20534.0645 14311.3817 243.9180 -204236.1620 2947.8805 0.0000 0.0000 52020.3160 -110206.0255 298.9615 -162226.3415 -109844.4955 298.6229 351.8459 382.3794 758337.3926 10.0824 10.2294 PRESSURE: 149400 58.0186 -52.3481 -128.035 -52.3482 36.3852 -143.127 -128.034 -143.127 -290.28 GPRESSURE: 149400 61.2705 -252.535 -102.726 -48.1116 62.3627 -49.3533 90.7832 -251.287 -228.769 PRESSAVG: 149400 -34.2588 12.1718 -2.02047 12.1719 7.55019 1.60819 -2.02051 1.60826 -1.56208 GPRESSAVG: 149400 -35.1621 13.3375 -1.67374 10.3229 9.10403 0.0476749 -3.33184 0.550486 -1.72182 TIMING: 149400 CPU: 469.705, 0.00316534/step Wall: 469.705, 0.00316534/step, 4.26494 hours remaining, 231.496094 MB of memory in use. ENERGY: 149400 4051.5759 20656.5470 14427.8314 237.7922 -204009.0621 2585.0667 0.0000 0.0000 51883.9315 -110166.3174 298.1777 -162050.2490 -109805.4058 298.6182 -65.2921 -35.0451 759916.6830 -9.4236 -9.2600 PRESSURE: 149600 274.546 -32.353 61.6084 -32.3525 -70.6822 193.189 61.6076 193.188 479.014 GPRESSURE: 149600 300.319 -26.2903 14.6291 -17.4418 13.744 131.763 49.9488 142.146 461.741 PRESSAVG: 149600 5.45334 -21.6403 16.6676 -21.6403 29.312 -5.33934 16.6676 -5.33939 -2.33655 GPRESSAVG: 149600 6.10111 -22.6083 16.0342 -20.3756 28.1363 -5.59615 17.1949 -3.84084 -2.14407 TIMING: 149600 CPU: 470.337, 0.00316363/step Wall: 470.337, 0.00316363/step, 4.26246 hours remaining, 231.496094 MB of memory in use. ENERGY: 149600 4041.8379 20347.5445 14489.3040 253.0318 -204182.3919 2692.5719 0.0000 0.0000 52181.3080 -110176.7939 299.8867 -162358.1019 -109802.6268 298.5458 227.6261 258.6015 757998.7887 10.8096 10.6978 PRESSURE: 149800 257.374 -18.7958 20.7623 -18.7969 219.878 -168.046 20.7619 -168.047 372.065 GPRESSURE: 149800 321.159 79.0486 124.422 -36.6009 273.813 -213.838 -22.0766 -107.75 330.703 PRESSAVG: 149800 49.0247 0.803647 36.6895 0.803684 -2.74981 23.8112 36.6895 23.8112 -7.05814 GPRESSAVG: 149800 49.1202 2.4076 37.2133 1.6031 -3.36418 23.9478 35.7814 24.6144 -6.79315 TIMING: 149800 CPU: 470.971, 0.00317012/step Wall: 470.971, 0.00317012/step, 4.27104 hours remaining, 231.496094 MB of memory in use. ENERGY: 149800 4091.1037 20605.5734 14442.9377 237.1387 -204466.8258 2816.4441 0.0000 0.0000 51907.1741 -110366.4542 298.3112 -162273.6282 -110007.2162 298.4349 283.1057 308.5584 758090.1471 13.0723 12.9876 PRESSURE: 150000 -598.141 -237.249 66.6056 -237.25 -246.472 -5.25951 66.6048 -5.25974 -737.897 GPRESSURE: 150000 -522.414 -245.67 -38.6615 -191.241 -212.268 29.405 106.446 -124.415 -757.627 PRESSAVG: 150000 10.9764 11.1042 29.4 11.1042 -49.2897 -47.4853 29.4 -47.4852 -9.44682 GPRESSAVG: 150000 9.83564 11.2748 30.1861 9.52243 -48.5668 -47.7569 29.4708 -49.3934 -9.8 TIMING: 150000 CPU: 471.605, 0.0031674/step Wall: 471.605, 0.00316739/step, 4.26718 hours remaining, 231.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 150000 4022.1064 20614.1060 14452.1290 275.5724 -203906.0808 2579.3298 0.0000 0.0000 51959.6307 -110003.2065 298.6127 -161962.8372 -109643.4193 298.7484 -527.5031 -497.4362 760136.9210 -15.9200 -16.1770 PRESSURE: 150200 134.678 -174.453 26.6592 -174.454 263.794 -91.3502 26.6598 -91.3498 -513.476 GPRESSURE: 150200 223.729 -188.75 -4.03749 -104.485 219.366 -98.5448 28.0367 32.9815 -477.223 PRESSAVG: 150200 11.553 0.375871 11.338 0.375851 0.501353 -21.0258 11.3379 -21.0258 4.90839 GPRESSAVG: 150200 11.6313 -0.66309 11.9866 0.593662 0.865737 -19.0668 9.91938 -19.4702 4.62477 TIMING: 150200 CPU: 472.237, 0.00316221/step Wall: 472.237, 0.00316221/step, 4.26002 hours remaining, 231.496094 MB of memory in use. ENERGY: 150200 3972.7270 20589.8968 14371.5153 253.8925 -203990.2300 2696.0205 0.0000 0.0000 52009.7317 -110096.4462 298.9006 -162106.1779 -109718.5569 298.8034 -38.3346 -11.3760 759700.4935 5.6542 5.7073 PRESSURE: 150400 56.5046 -68.5127 247.39 -68.5137 -198.803 193.555 247.389 193.554 -367.709 GPRESSURE: 150400 40.2239 62.7063 292.21 -96.3584 -153.245 248.588 155.782 233.698 -319.188 PRESSAVG: 150400 15.9348 -35.0925 10.9405 -35.0925 -0.0540642 -43.7713 10.9404 -43.7712 3.40689 GPRESSAVG: 150400 17.2467 -34.4989 10.5994 -34.9479 -1.14369 -46.108 11.5646 -41.2026 2.90864 TIMING: 150400 CPU: 472.872, 0.00317435/step Wall: 472.872, 0.00317435/step, 4.27621 hours remaining, 231.496094 MB of memory in use. ENERGY: 150400 4052.9357 20693.5699 14472.3464 243.2217 -204327.9218 2882.4388 0.0000 0.0000 52025.5336 -109957.8759 298.9915 -161983.4095 -109591.9855 298.9541 -170.0024 -144.0698 761000.8451 6.4292 6.3372 PRESSURE: 150600 -257.413 -8.35526 89.9401 -8.3547 72.0996 174.099 89.9395 174.1 81.336 GPRESSURE: 150600 -245.009 7.86236 74.9933 8.23379 127.185 75.6991 109.693 123.458 88.7095 PRESSAVG: 150600 -18.0147 -28.5394 -14.0098 -28.5395 27.7524 -2.094 -14.0098 -2.09404 -0.468352 GPRESSAVG: 150600 -18.1078 -27.5456 -14.8454 -28.4034 27.3491 -0.225287 -15.1291 -7.42538 0.113902 TIMING: 150600 CPU: 473.506, 0.00317029/step Wall: 473.506, 0.00317029/step, 4.27056 hours remaining, 231.496094 MB of memory in use. ENERGY: 150600 4053.2015 20516.9127 14426.3247 250.9428 -204062.4911 2667.7728 0.0000 0.0000 52276.0396 -109871.2970 300.4311 -162147.3366 -109509.2361 298.6215 -34.6590 -9.7049 761972.9605 3.0898 3.1184 PRESSURE: 150800 -147.374 -202.853 -26.4788 -202.853 -73.7416 -115.76 -26.4786 -115.76 -309.105 GPRESSURE: 150800 -161.065 -66.2762 -23.5587 -178.819 -26.9723 -47.0292 77.7227 -323.838 -281.376 PRESSAVG: 150800 -2.11232 -14.9814 -13.1619 -14.9814 -5.08293 1.87265 -13.1619 1.87269 21.3991 GPRESSAVG: 150800 -2.7793 -16.4351 -11.9208 -15.4858 -4.36071 1.14866 -13.1042 4.28322 21.6651 TIMING: 150800 CPU: 474.14, 0.00316907/step Wall: 474.14, 0.00316907/step, 4.26874 hours remaining, 231.496094 MB of memory in use. ENERGY: 150800 4053.3127 20489.3041 14427.9330 247.7202 -203914.7758 2698.1503 0.0000 0.0000 52198.3159 -109800.0396 299.9844 -161998.3555 -109428.5753 298.6963 -176.7400 -156.4709 761066.6448 4.7346 4.8417 PRESSURE: 151000 135.99 -48.5854 96.4823 -48.5852 -50.8745 103.216 96.4827 103.216 253.047 GPRESSURE: 151000 208.501 -29.985 32.5419 25.1286 19.0542 135.335 72.787 147.525 207.61 PRESSAVG: 151000 -14.5498 -45.9842 31.9297 -45.9842 -20.1096 -23.3325 31.9298 -23.3325 -13.9313 GPRESSAVG: 151000 -15.1695 -44.8808 30.681 -45.6264 -19.5044 -22.7635 33.4856 -23.5361 -13.6412 TIMING: 151000 CPU: 474.773, 0.00316573/step Wall: 474.773, 0.00316573/step, 4.26406 hours remaining, 231.496094 MB of memory in use. ENERGY: 151000 3950.8845 20641.3924 14434.9840 273.1532 -203672.3545 2568.7025 0.0000 0.0000 52033.8433 -109769.3946 299.0392 -161803.2379 -109406.9927 299.2729 112.7208 145.0548 761852.5069 -16.1969 -16.1050 PRESSURE: 151200 -112.359 156.108 -7.43427 156.108 -275.446 -161.516 -7.43448 -161.517 -100.103 GPRESSURE: 151200 -160.094 38.4418 -64.0567 238.304 -157.363 -99.9605 76.6256 -137.903 -96.2065 PRESSAVG: 151200 -10.2507 -22.5919 12.3571 -22.5919 62.9353 13.7418 12.3571 13.7418 3.42648 GPRESSAVG: 151200 -9.20034 -24.7601 12.0481 -20.5901 62.9063 13.4519 14.3266 14.1404 2.3252 TIMING: 151200 CPU: 475.402, 0.00314524/step Wall: 475.402, 0.00314524/step, 4.23629 hours remaining, 231.496094 MB of memory in use. ENERGY: 151200 3906.3668 20504.5938 14487.4256 234.7475 -203295.9627 2159.9806 0.0000 0.0000 52277.3057 -109725.5427 300.4384 -162002.8484 -109347.9311 299.3846 -162.6362 -137.8878 761254.6185 18.7037 18.6771 PRESSURE: 151400 -98.5088 -157.323 -133.654 -157.323 -73.5532 113.984 -133.655 113.986 -155.024 GPRESSURE: 151400 -20.6714 -94.5255 -214.596 -63.6322 -47.1071 149.004 -41.7711 -45.7807 -166.992 PRESSAVG: 151400 14.4813 -8.37683 -17.3526 -8.37679 8.21315 -5.94921 -17.3525 -5.94925 -3.35251 GPRESSAVG: 151400 14.2791 -4.76206 -15.6778 -10.0296 7.75545 -6.10047 -20.722 -6.09249 -2.80283 TIMING: 151400 CPU: 476.033, 0.00315523/step Wall: 476.033, 0.00315523/step, 4.24957 hours remaining, 231.496094 MB of memory in use. ENERGY: 151400 3995.8195 20563.2803 14401.1875 224.1483 -203568.6126 2624.1574 0.0000 0.0000 52197.1693 -109562.8503 299.9778 -161760.0196 -109195.6584 299.3240 -109.0288 -78.2567 763365.2367 6.4473 6.4106 PRESSURE: 151600 -42.3592 -15.4117 -123.553 -15.4118 -111.463 91.4952 -123.554 91.4952 -83.5208 GPRESSURE: 151600 29.8299 5.41928 -164.646 -46.1665 -70.84 94.4451 -209.347 128.871 -112.031 PRESSAVG: 151600 -19.5805 -2.82281 31.1202 -2.82284 9.59406 -33.6347 31.1202 -33.6346 -15.4512 GPRESSAVG: 151600 -21.216 -4.48757 29.4943 -4.4918 10.8618 -34.6564 31.581 -30.7845 -14.9399 TIMING: 151600 CPU: 476.668, 0.00317146/step Wall: 476.668, 0.00317146/step, 4.27125 hours remaining, 231.496094 MB of memory in use. ENERGY: 151600 4103.1652 20563.6611 14392.2520 234.0016 -203469.3287 2542.6518 0.0000 0.0000 52074.0676 -109559.5294 299.2704 -161633.5970 -109192.2131 299.9484 -79.1143 -51.0137 762661.7761 -8.4792 -8.4314 PRESSURE: 151800 57.9992 58.1179 77.8043 58.1175 -162.788 -3.88372 77.8057 -3.88332 -294.489 GPRESSURE: 151800 50.9992 22.862 86.5944 93.9557 -70.6713 43.9519 -5.95564 -75.9023 -318.67 PRESSAVG: 151800 -24.0874 14.1416 -11.6097 14.1416 -2.25904 -68.4881 -11.6097 -68.4881 -12.3589 GPRESSAVG: 151800 -22.8826 13.4636 -10.9161 15.3417 -3.521 -66.7577 -11.7236 -71.5206 -12.848 TIMING: 151800 CPU: 477.301, 0.00316905/step Wall: 477.301, 0.00316905/step, 4.26783 hours remaining, 231.496094 MB of memory in use. ENERGY: 151800 4046.7880 20499.9319 14431.2127 247.2080 -203056.2343 2375.1366 0.0000 0.0000 52004.7802 -109451.1770 298.8722 -161455.9571 -109087.8433 299.6323 -133.0925 -112.7806 761435.8990 -12.9018 -13.0839 PRESSURE: 152000 -244.616 156.7 -20.1651 156.7 -431.824 119.525 -20.166 119.525 -371.863 GPRESSURE: 152000 -233.455 155.773 -69.1118 53.2218 -460.366 103.326 87.1584 46.9472 -303.026 PRESSAVG: 152000 -13.3215 -1.7278 46.108 -1.72787 22.3807 -0.051712 46.1079 -0.0517578 -0.289282 GPRESSAVG: 152000 -15.198 -1.77975 47.3414 -1.5174 22.2172 -1.7832 45.9764 -0.913525 0.781649 TIMING: 152000 CPU: 477.936, 0.00317514/step Wall: 477.936, 0.00317514/step, 4.27585 hours remaining, 231.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 152000 4040.1874 20446.5574 14409.9546 248.9636 -203249.7023 2428.9743 0.0000 0.0000 52120.7764 -109554.2884 299.5388 -161675.0648 -109191.6403 299.5774 -349.4344 -332.2823 761645.3235 2.9233 2.6003 PRESSURE: 152200 -366.138 2.0009 -2.9391 2.00115 -75.5692 -10.3664 -2.93994 -10.3664 50.0474 GPRESSURE: 152200 -294.364 37.2274 26.2732 -90.5975 -38.5605 134.895 65.0072 -61.4299 36.0407 PRESSAVG: 152200 5.22526 -4.61476 -1.99499 -4.61469 -23.0979 1.96745 -1.99499 1.9673 -2.23896 GPRESSAVG: 152200 7.14825 -6.03439 -4.76417 -5.03074 -23.8837 2.02333 -3.62298 4.9244 -3.80485 TIMING: 152200 CPU: 478.569, 0.00316077/step Wall: 478.569, 0.00316077/step, 4.25633 hours remaining, 231.496094 MB of memory in use. ENERGY: 152200 3937.6954 20394.7924 14517.6495 230.1364 -203349.0600 2555.5987 0.0000 0.0000 51863.1770 -109850.0106 298.0584 -161713.1876 -109490.1571 299.1252 -130.5532 -98.9611 761987.3746 -6.7039 -6.8468 LDB: ============= START OF LOAD BALANCING ============== 490.968 LDB: ============== END OF LOAD BALANCING =============== 490.968 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 490.969 LDB: ============= START OF LOAD BALANCING ============== 491.285 LDB: Largest compute 7044 load 0.032487 is 16.6% of average load 0.195472 LDB: Average compute 0.004364 is 2.2% of average load 0.195472 LDB: TIME 491.289 LOAD: AVG 0.195472 MAX 0.220031 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 491.289 LOAD: AVG 0.195472 MAX 0.220031 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 491.29 LOAD: AVG 0.195472 MAX 0.220031 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 491.292 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 491.297 PRESSURE: 152400 -139.201 -26.6892 -51.0234 -26.689 -189.257 -323.871 -51.0233 -323.871 -353.499 GPRESSURE: 152400 -78.2969 -12.3466 -131.017 -66.7318 -120.364 -226.022 0.767898 -170.958 -395.236 PRESSAVG: 152400 -22.1407 26.6023 -4.53432 26.6023 -2.16373 7.80938 -4.53434 7.80932 -7.76282 GPRESSAVG: 152400 -22.6797 28.201 -2.75474 28.0277 -0.748991 11.3164 -3.36368 6.19745 -8.16638 TIMING: 152400 CPU: 479.214, 0.00322749/step Wall: 479.214, 0.00322749/step, 4.34599 hours remaining, 231.496094 MB of memory in use. ENERGY: 152400 4010.1410 20510.1742 14360.6938 271.7543 -203567.4614 2668.9015 0.0000 0.0000 51699.9037 -110045.8928 297.1201 -161745.7965 -109689.3209 298.4093 -227.3186 -197.9657 761378.8196 -10.6891 -10.5317 PRESSURE: 152600 328.552 -13.2685 -126.459 -13.2684 337.314 -93.6671 -126.46 -93.6675 158.929 GPRESSURE: 152600 292.294 -28.8927 62.9895 96.1546 281.938 -96.8489 -65.2028 -149.231 328.709 PRESSAVG: 152600 12.0141 6.23287 1.0653 6.23287 6.53872 -10.9946 1.06531 -10.9947 -33.2874 GPRESSAVG: 152600 11.937 6.7909 0.814709 4.91255 5.06623 -14.375 3.52185 -10.633 -31.5589 TIMING: 152600 CPU: 479.847, 0.0031642/step Wall: 479.847, 0.0031642/step, 4.26059 hours remaining, 231.699219 MB of memory in use. ENERGY: 152600 3894.6150 20575.9056 14466.7516 252.9922 -203877.5094 2669.6199 0.0000 0.0000 52015.1546 -110002.4705 298.9318 -162017.6251 -109647.5667 298.6194 274.9316 300.9801 758596.7311 -4.9115 -4.8519 PRESSURE: 152800 -49.6893 54.9479 54.111 54.9493 -114.892 -121.05 54.1118 -121.05 365.445 GPRESSURE: 152800 -28.4284 58.5626 179.877 167.327 -19.9922 -96.7264 88.0475 -255.402 338.039 PRESSAVG: 152800 43.9865 -0.234677 0.52171 -0.234699 27.2369 23.1274 0.521724 23.1275 21.2347 GPRESSAVG: 152800 42.8868 0.0796774 0.522912 -1.31953 28.2836 24.2863 -0.986926 22.1284 20.7358 TIMING: 152800 CPU: 480.477, 0.00315258/step Wall: 480.477, 0.00315258/step, 4.24477 hours remaining, 231.699219 MB of memory in use. ENERGY: 152800 3907.5870 20339.7180 14488.9444 252.5651 -203830.6750 2790.0481 0.0000 0.0000 52195.5966 -109856.2157 299.9688 -162051.8123 -109486.3826 298.9064 66.9546 96.5394 759648.1116 30.8194 30.6354 PRESSURE: 153000 193.477 8.21442 -34.4144 8.21483 95.726 113.37 -34.4141 113.37 270.557 GPRESSURE: 153000 167.596 -177.981 -54.958 -4.15874 159.655 96.4524 30.0335 298.695 320.125 PRESSAVG: 153000 28.0049 31.9527 31.8561 31.9526 -18.8285 -6.6796 31.8561 -6.67968 15.51 GPRESSAVG: 153000 29.4225 31.5321 32.2818 32.2535 -19.7881 -8.5781 32.0402 -6.6777 15.0779 TIMING: 153000 CPU: 481.106, 0.00314042/step Wall: 481.106, 0.00314042/step, 4.22823 hours remaining, 231.699219 MB of memory in use. ENERGY: 153000 3983.5524 20556.4101 14603.3708 244.8726 -203259.0098 2418.5972 0.0000 0.0000 51916.4527 -109535.7540 298.3646 -161452.2067 -109174.1613 299.2991 186.5869 215.7921 758757.7443 8.2288 8.2374 PRESSURE: 153200 -150.936 114.805 -115.315 114.805 -61.6748 -117.736 -115.316 -117.735 142.561 GPRESSURE: 153200 -82.5293 -15.5237 -174.939 127.245 71.5925 -90.0735 -206.047 -130.617 22.6159 PRESSAVG: 153200 54.8212 -9.35626 21.0688 -9.35622 -17.8039 -11.5761 21.0688 -11.5761 -12.9106 GPRESSAVG: 153200 55.144 -11.1667 19.1955 -9.14052 -18.2198 -10.3571 21.8275 -10.8268 -13.3416 TIMING: 153200 CPU: 481.739, 0.00316492/step Wall: 481.739, 0.00316492/step, 4.26104 hours remaining, 231.699219 MB of memory in use. ENERGY: 153200 3968.3551 20409.9312 14446.9557 267.4202 -203256.6910 2458.2463 0.0000 0.0000 52312.3064 -109393.4761 300.6395 -161705.7825 -109027.9025 299.5606 -23.3499 3.8931 760858.1977 8.0356 7.8609 PRESSURE: 153400 -47.233 31.4858 92.5553 31.4861 -19.4129 174.542 92.5543 174.541 -201.018 GPRESSURE: 153400 -10.2744 10.0462 51.6785 19.418 36.445 131.204 134.248 291.153 -185.762 PRESSAVG: 153400 13.181 -41.0273 37.3591 -41.0272 -11.4895 6.18784 37.3591 6.18783 13.4772 GPRESSAVG: 153400 11.9612 -39.0014 37.2891 -39.5202 -9.53345 5.98114 36.4622 8.41203 12.9639 TIMING: 153400 CPU: 482.369, 0.00315332/step Wall: 482.369, 0.00315332/step, 4.24524 hours remaining, 231.699219 MB of memory in use. ENERGY: 153400 3984.7624 20551.2211 14538.6313 242.3518 -203263.3556 2489.2345 0.0000 0.0000 52140.9843 -109316.1703 299.6550 -161457.1546 -108943.8474 299.5320 -89.2212 -53.1970 761104.7357 5.0562 5.1306 PRESSURE: 153600 116.974 40.7042 -145.469 40.7048 23.9075 188.957 -145.468 188.957 -270.72 GPRESSURE: 153600 49.5789 70.2671 -112.656 -29.0721 132.505 140.1 -221.937 9.06775 -209.736 PRESSAVG: 153600 -3.06965 -65.8424 -17.9139 -65.8423 33.9537 -27.405 -17.9139 -27.405 0.833776 GPRESSAVG: 153600 -2.00745 -66.7373 -17.1471 -66.2428 32.4474 -27.4365 -16.1335 -28.5341 1.41895 TIMING: 153600 CPU: 483.001, 0.00316091/step Wall: 483.001, 0.00316091/step, 4.25529 hours remaining, 231.699219 MB of memory in use. ENERGY: 153600 4041.7829 20475.2133 14463.3390 247.5769 -203519.6707 2649.0173 0.0000 0.0000 52099.2229 -109543.5184 299.4149 -161642.7413 -109179.3255 299.6690 -43.2795 -9.2173 760990.0762 10.5726 10.6196 PRESSURE: 153800 -33.1053 -96.6538 -160.953 -96.6546 132.632 35.2334 -160.953 35.2337 -81.5099 GPRESSURE: 153800 55.2299 -21.7853 -143.589 -52.3885 139.646 65.1838 -229.271 -60.9225 -102.041 PRESSAVG: 153800 -53.5552 -32.6074 -11.4356 -32.6074 8.76066 -32.7161 -11.4357 -32.7162 -10.0667 GPRESSAVG: 153800 -52.5485 -33.1159 -10.297 -32.8803 7.8666 -32.822 -15.5792 -34.1164 -10.4353 TIMING: 153800 CPU: 483.633, 0.00315944/step Wall: 483.633, 0.00315944/step, 4.25313 hours remaining, 231.699219 MB of memory in use. ENERGY: 153800 4030.4454 20458.7462 14515.9186 260.6473 -203212.2719 2320.4993 0.0000 0.0000 52118.1805 -109507.8345 299.5239 -161626.0150 -109142.2590 299.3262 6.0057 30.9450 762062.9259 -18.2871 -18.3724 PRESSURE: 154000 -158.218 42.1189 -124.385 42.1182 -14.3414 -40.2836 -124.384 -40.2848 -116.271 GPRESSURE: 154000 -154.665 -27.3544 -66.7078 27.6808 40.4023 -24.7549 -210.841 16.8211 -117.275 PRESSAVG: 154000 -11.9703 -17.1451 -34.204 -17.1451 -13.7989 -33.9068 -34.204 -33.9068 -4.23697 GPRESSAVG: 154000 -12.4795 -17.18 -35.284 -17.1373 -13.1987 -34.44 -32.106 -33.0468 -5.37601 TIMING: 154000 CPU: 484.264, 0.00315153/step Wall: 484.264, 0.00315153/step, 4.24231 hours remaining, 231.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 154000 3977.1145 20592.9565 14490.3361 239.2424 -203277.0622 2335.8314 0.0000 0.0000 52007.5580 -109634.0232 298.8882 -161641.5812 -109264.4791 299.2490 -96.2767 -77.1793 762798.4325 -10.0020 -10.3514 PRESSURE: 154200 -81.1496 -287.434 62.445 -287.434 -503.474 -119.661 62.446 -119.662 -145.559 GPRESSURE: 154200 -129.347 -143.296 49.6228 -251.314 -363.166 -103.196 76.0805 -166.105 -134.365 PRESSAVG: 154200 4.61308 -33.5265 -56.1111 -33.5265 0.144164 0.913627 -56.1111 0.913587 -1.79477 GPRESSAVG: 154200 2.59022 -34.469 -55.0132 -31.9117 1.66721 2.08163 -58.6986 -0.452425 -0.746409 TIMING: 154200 CPU: 484.895, 0.00315887/step Wall: 484.895, 0.00315887/step, 4.25202 hours remaining, 231.699219 MB of memory in use. ENERGY: 154200 4000.7462 20496.1337 14431.7044 246.0138 -203420.4850 2495.0825 0.0000 0.0000 52029.1779 -109721.6265 299.0124 -161750.8044 -109364.3182 299.2707 -243.3941 -208.9594 762198.5581 0.9875 1.1703 PRESSURE: 154400 231.781 51.5946 -73.1749 51.5941 329.415 148.907 -73.1745 148.907 27.3515 GPRESSURE: 154400 221.19 152.904 -173.769 19.9833 370.241 164.262 -0.64858 36.4346 81.7925 PRESSAVG: 154400 10.1753 -32.1702 -11.46 -32.1702 8.63105 -18.711 -11.46 -18.7109 -10.3879 GPRESSAVG: 154400 12.1858 -33.6872 -12.625 -32.5013 6.77067 -18.6789 -8.1411 -17.0576 -9.81822 TIMING: 154400 CPU: 485.53, 0.00317485/step Wall: 485.53, 0.00317485/step, 4.27335 hours remaining, 231.699219 MB of memory in use. ENERGY: 154400 3993.0149 20482.3447 14456.6915 231.8208 -203553.0814 2695.6734 0.0000 0.0000 52265.8814 -109427.6547 300.3727 -161693.5361 -109068.7678 298.9178 196.1826 224.4078 761192.4964 2.8062 3.0461 PRESSURE: 154600 -323.169 -80.7856 -153.759 -80.7859 -97.0039 -190.734 -153.759 -190.734 -100.843 GPRESSURE: 154600 -273.047 -180.988 -209.104 -33.0363 -79.9546 -151.887 -84.2316 -253.073 -64.2379 PRESSAVG: 154600 13.5061 35.4366 -30.8187 35.4366 2.52749 13.6825 -30.8188 13.6824 16.2195 GPRESSAVG: 154600 12.0948 37.52 -31.5631 36.1744 4.04687 12.8163 -31.3036 12.7191 15.9823 TIMING: 154600 CPU: 486.163, 0.0031613/step Wall: 486.163, 0.0031613/step, 4.25493 hours remaining, 231.699219 MB of memory in use. ENERGY: 154600 4026.8220 20467.6907 14438.5278 249.8885 -203055.5350 2479.2061 0.0000 0.0000 51890.6857 -109502.7142 298.2165 -161393.4000 -109138.4904 299.6832 -173.6718 -139.0799 762554.5039 10.7510 10.7080 PRESSURE: 154800 33.8003 -105.123 -169.107 -105.123 398.236 -34.5524 -169.108 -34.5512 -222.301 GPRESSURE: 154800 102.62 -21.6158 -95.6906 -68.5455 346.298 -48.0903 -83.6819 -45.3705 -163.168 PRESSAVG: 154800 -11.406 -29.7382 0.458712 -29.7381 24.6453 -7.30058 0.458717 -7.30055 -5.87769 GPRESSAVG: 154800 -11.9248 -27.0554 2.07769 -32.0607 24.0416 -4.83086 -1.78611 -8.78475 -5.63703 TIMING: 154800 CPU: 486.799, 0.00318188/step Wall: 486.799, 0.00318188/step, 4.28245 hours remaining, 231.699219 MB of memory in use. ENERGY: 154800 3938.1521 20535.1822 14327.2096 231.0192 -203015.9705 2365.0400 0.0000 0.0000 52004.2961 -109615.0712 298.8694 -161619.3673 -109246.8654 299.3791 69.9120 95.2500 760053.7906 2.4539 2.1599 PRESSURE: 155000 -43.0424 -144.626 106.863 -144.625 152.544 25.9096 106.862 25.909 271.398 GPRESSURE: 155000 38.2163 -151.991 103.305 -92.1846 129.412 -20.401 166.072 22.2734 279.35 PRESSAVG: 155000 -68.6695 -13.6099 -63.5795 -13.6099 89.2708 -36.9267 -63.5795 -36.9267 -14.4732 GPRESSAVG: 155000 -67.9641 -13.8684 -63.8307 -12.364 88.652 -38.7977 -61.9331 -35.5347 -14.8586 TIMING: 155000 CPU: 487.431, 0.0031612/step Wall: 487.431, 0.0031612/step, 4.25445 hours remaining, 231.699219 MB of memory in use. ENERGY: 155000 3955.6749 20360.6104 14437.7950 238.1905 -203299.3427 2572.7641 0.0000 0.0000 52086.2957 -109648.0121 299.3407 -161734.3078 -109277.8884 299.7612 126.9664 148.9928 760153.2407 2.0427 1.9431 PRESSURE: 155200 30.6992 -114.922 -119.443 -114.922 -14.5973 48.5006 -119.444 48.501 137.478 GPRESSURE: 155200 59.5597 -141.673 -81.8587 -165.562 84.6879 105.12 -110.335 164.986 98.9531 PRESSAVG: 155200 -41.6418 -45.4729 -4.87984 -45.473 26.0564 -31.2566 -4.87987 -31.2567 -5.80261 GPRESSAVG: 155200 -41.3244 -46.6755 -6.01712 -46.6882 25.5631 -32.4536 -5.03138 -30.9717 -6.22201 TIMING: 155200 CPU: 488.061, 0.00315003/step Wall: 488.061, 0.00315003/step, 4.23923 hours remaining, 231.699219 MB of memory in use. ENERGY: 155200 3940.2716 20455.0830 14417.9596 220.7345 -203607.4884 2786.8695 0.0000 0.0000 52129.8872 -109656.6830 299.5912 -161786.5702 -109298.4364 299.0794 51.1932 81.0669 759145.9010 -7.1293 -7.3278 PRESSURE: 155400 268.053 21.3462 -105.745 21.3463 -68.3353 -134.554 -105.745 -134.554 -442.092 GPRESSURE: 155400 215.422 -31.5733 -118.069 32.0167 -29.5458 -61.1588 -115.625 -165.038 -370.692 PRESSAVG: 155400 -15.7684 5.35217 -0.1537 5.35218 43.5635 21.8224 -0.153642 21.8225 9.48891 GPRESSAVG: 155400 -16.3091 3.99919 3.26862 8.8751 43.526 23.323 -0.301774 20.2293 9.66504 TIMING: 155400 CPU: 488.69, 0.00314187/step Wall: 488.69, 0.00314187/step, 4.22808 hours remaining, 231.699219 MB of memory in use. ENERGY: 155400 3968.6300 20473.8443 14478.5195 270.6021 -203357.0264 2486.4470 0.0000 0.0000 52090.2944 -109588.6892 299.3636 -161678.9836 -109233.5231 299.6177 -80.7916 -61.6051 760580.6115 12.4280 12.2940 PRESSURE: 155600 55.7342 266.276 -29.2672 266.276 -281.086 -96.2519 -29.2666 -96.2526 -538.265 GPRESSURE: 155600 10.9666 212.06 -77.0394 132.826 -181.704 -110.039 -61.5167 -98.8782 -489.701 PRESSAVG: 155600 -116.187 -40.6564 -14.5342 -40.6564 68.9414 -34.7845 -14.5342 -34.7846 6.07817 GPRESSAVG: 155600 -116.407 -39.2844 -16.1693 -41.4042 69.2385 -36.8393 -15.4922 -33.4554 5.98124 TIMING: 155600 CPU: 489.321, 0.00315484/step Wall: 489.321, 0.00315484/step, 4.24536 hours remaining, 231.699219 MB of memory in use. ENERGY: 155600 4036.4108 20446.2822 14438.7877 233.0383 -203254.9257 2538.1288 0.0000 0.0000 52028.7124 -109533.5654 299.0097 -161562.2778 -109177.2857 299.1304 -254.5388 -220.1462 761483.6711 -13.7226 -13.7292 PRESSURE: 155800 -292.571 50.8114 -27.8969 50.8115 -101.949 -171.542 -27.8973 -171.542 -104.165 GPRESSURE: 155800 -216.43 -4.51574 -76.8614 194.146 -72.4826 -112.167 -11.76 -131.823 -133.16 PRESSAVG: 155800 -62.313 35.7468 -34.4187 35.7468 53.0981 21.1043 -34.4187 21.1043 -28.0247 GPRESSAVG: 155800 -61.0214 35.5325 -34.6962 35.5138 52.607 23.8967 -33.9028 21.5378 -28.2708 TIMING: 155800 CPU: 489.952, 0.00315683/step Wall: 489.952, 0.00315683/step, 4.24786 hours remaining, 231.699219 MB of memory in use. ENERGY: 155800 4027.2441 20601.6506 14449.2226 237.3230 -203237.3132 2653.1401 0.0000 0.0000 51829.9551 -109438.7775 297.8675 -161268.7327 -109092.0660 299.4216 -166.2282 -140.6907 762628.0039 -12.4132 -12.2284 PRESSURE: 156000 -103.573 -35.9279 22.8963 -35.9278 150.244 -28.1614 22.8964 -28.1627 -29.1545 GPRESSURE: 156000 -77.8617 -25.0181 -19.1869 126.099 216.271 -27.2315 67.1842 -30.089 -11.2981 PRESSAVG: 156000 -30.5874 5.83714 -27.8298 5.83712 55.4979 4.42699 -27.8298 4.42706 -2.57742 GPRESSAVG: 156000 -31.1754 5.30576 -28.7696 6.11312 56.1547 1.56258 -25.8505 5.41215 -2.6374 TIMING: 156000 CPU: 490.581, 0.00314783/step Wall: 490.581, 0.00314783/step, 4.23558 hours remaining, 231.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 156000 4022.9961 20492.6259 14380.5949 226.4667 -203054.1892 2446.7234 0.0000 0.0000 52047.9978 -109436.7843 299.1206 -161484.7821 -109074.7775 299.1540 5.8387 42.3705 762323.9274 7.4444 7.4473 PRESSURE: 156200 9.90776 -123.304 42.6468 -123.304 133.951 229.225 42.6472 229.226 -171.119 GPRESSURE: 156200 89.6353 -114.026 27.55 -159.796 132.913 232.251 -12.0328 171.153 -173.912 PRESSAVG: 156200 -12.7531 -2.98006 -38.1423 -2.98001 35.1083 -40.4767 -38.1423 -40.4766 3.97591 GPRESSAVG: 156200 -13.2529 -2.3317 -36.1257 -3.90758 35.9099 -38.9271 -41.652 -41.1145 4.27181 TIMING: 156200 CPU: 491.212, 0.00315393/step Wall: 491.212, 0.00315393/step, 4.24361 hours remaining, 231.699219 MB of memory in use. ENERGY: 156200 3950.2349 20394.3433 14478.5872 235.7252 -203684.2217 2821.1576 0.0000 0.0000 52072.5359 -109731.6376 299.2616 -161804.1735 -109363.2089 299.2041 -9.0868 16.2119 760066.7096 8.7770 8.9763 LDB: ============= START OF LOAD BALANCING ============== 503.613 LDB: ============== END OF LOAD BALANCING =============== 503.613 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 503.614 LDB: ============= START OF LOAD BALANCING ============== 503.929 LDB: Largest compute 7025 load 0.032881 is 16.8% of average load 0.195458 LDB: Average compute 0.004371 is 2.2% of average load 0.195458 LDB: TIME 503.933 LOAD: AVG 0.195458 MAX 0.215289 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.699 MB LDB: TIME 503.933 LOAD: AVG 0.195458 MAX 0.215289 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.812 MB LDB: TIME 503.933 LOAD: AVG 0.195458 MAX 0.215289 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.812 MB LDB: ============== END OF LOAD BALANCING =============== 503.935 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 503.94 PRESSURE: 156400 68.4296 133.47 89.8 133.469 365.506 9.0638 89.8001 9.06392 224.79 GPRESSURE: 156400 189.881 56.9345 65.7712 59.0424 346.401 24.1933 108.626 34.9599 212.483 PRESSAVG: 156400 -64.559 30.2101 -24.0424 30.2101 74.4683 37.8642 -24.0424 37.8643 19.1096 GPRESSAVG: 156400 -62.4225 29.8009 -24.3778 30.2096 72.6294 36.8496 -22.6475 35.0211 18.2951 TIMING: 156400 CPU: 491.857, 0.00322546/step Wall: 491.857, 0.00322546/step, 4.33968 hours remaining, 232.777344 MB of memory in use. ENERGY: 156400 4069.6839 20296.5307 14425.5057 261.3166 -203552.5803 2670.3828 0.0000 0.0000 52210.7694 -109618.3912 300.0560 -161829.1606 -109267.2639 298.9906 219.5750 249.5882 760418.2275 9.6730 9.5007 PRESSURE: 156600 -207.269 91.8088 -96.9654 91.8077 -82.7466 -192.078 -96.9661 -192.078 328.175 GPRESSURE: 156600 -84.066 101.82 -103.085 41.8699 -130.115 -288.678 -20.754 -183.499 353.046 PRESSAVG: 156600 -23.778 -15.1624 -29.3934 -15.1624 27.3075 15.081 -29.3933 15.081 19.7199 GPRESSAVG: 156600 -24.8948 -15.4991 -29.6672 -17.0205 26.6368 14.5693 -29.1714 18.0652 21.208 TIMING: 156600 CPU: 492.488, 0.00315209/step Wall: 492.488, 0.00315209/step, 4.24079 hours remaining, 232.980469 MB of memory in use. ENERGY: 156600 3985.3062 20456.6906 14342.9338 249.5102 -203516.7819 2791.9928 0.0000 0.0000 52237.2636 -109453.0847 300.2083 -161690.3482 -109099.1330 299.0501 12.7196 46.2883 761394.6724 7.7498 7.6500 PRESSURE: 156800 -167.356 16.0301 -77.5761 16.0289 -56.7106 -99.4227 -77.576 -99.4219 -149.972 GPRESSURE: 156800 -92.9894 8.23313 -145.548 104.668 -60.0956 -40.0902 -101.121 -79.6994 -123.785 PRESSAVG: 156800 -19.5646 37.8034 43.408 37.8034 17.6507 18.7062 43.408 18.7061 23.0806 GPRESSAVG: 156800 -19.9894 39.116 42.7706 38.7166 19.0557 20.3194 44.3265 17.1569 22.1714 TIMING: 156800 CPU: 493.12, 0.00316214/step Wall: 493.12, 0.00316214/step, 4.25413 hours remaining, 232.980469 MB of memory in use. ENERGY: 156800 3921.2239 20513.6166 14413.1495 245.2026 -203472.9998 2678.1817 0.0000 0.0000 52003.2546 -109698.3709 298.8634 -161701.6255 -109343.5837 299.0841 -124.6796 -92.2898 762039.3114 7.0556 7.0793 PRESSURE: 157000 5.07449 -32.0235 -115.153 -32.0233 -211.823 -196.247 -115.152 -196.247 113.979 GPRESSURE: 157000 -33.4871 -6.51936 -129.858 -37.8259 -143.876 -264.398 -95.2563 -93.7883 164.388 PRESSAVG: 157000 -27.4297 -25.1735 7.32884 -25.1735 26.5238 -51.6129 7.32877 -51.6128 -38.1866 GPRESSAVG: 157000 -27.6495 -25.9151 7.35291 -24.6286 26.6701 -52.3972 6.92518 -52.5692 -38.2857 TIMING: 157000 CPU: 493.749, 0.00314435/step Wall: 493.749, 0.00314435/step, 4.23002 hours remaining, 232.980469 MB of memory in use. ENERGY: 157000 3912.3635 20441.7815 14455.1096 269.1263 -203210.3802 2536.8677 0.0000 0.0000 51946.8963 -109648.2353 298.5395 -161595.1316 -109294.0331 298.7601 -30.9234 -4.3250 762248.9521 -13.0308 -13.0884 PRESSURE: 157200 21.3903 -0.31101 -61.9859 -0.311375 -141.304 -51.1793 -61.9852 -51.1796 -111.453 GPRESSURE: 157200 44.3293 11.6383 -161.086 -44.5849 -139.144 12.1759 70.4205 -113.387 -51.6541 PRESSAVG: 157200 21.5461 54.665 -7.54671 54.665 -23.6427 -14.3866 -7.54665 -14.3866 -5.26849 GPRESSAVG: 157200 21.3652 54.9629 -8.03066 54.3477 -23.4016 -13.0665 -7.48863 -14.165 -5.37935 TIMING: 157200 CPU: 494.377, 0.00314193/step Wall: 494.377, 0.00314193/step, 4.22659 hours remaining, 232.980469 MB of memory in use. ENERGY: 157200 4031.3205 20403.6258 14440.7000 258.3373 -203006.5847 2369.8496 0.0000 0.0000 52111.2755 -109391.4760 299.4842 -161502.7515 -109014.6400 299.2584 -77.1221 -48.8229 762085.9196 -2.4551 -2.4719 PRESSURE: 157400 -496.818 -166.936 -34.1587 -166.936 11.7042 -156.93 -34.1575 -156.93 -336.301 GPRESSURE: 157400 -317.755 -126.323 15.3818 -193.653 -78.6316 -116.395 -9.91784 -38.329 -341.869 PRESSAVG: 157400 41.4265 -21.9983 -33.6783 -21.9983 -9.61366 -70.1029 -33.6783 -70.1029 2.15279 GPRESSAVG: 157400 41.8077 -21.4606 -31.3917 -22.3962 -9.30122 -70.3488 -33.1296 -69.2559 1.88223 TIMING: 157400 CPU: 495.01, 0.00316459/step Wall: 495.01, 0.00316459/step, 4.2569 hours remaining, 232.980469 MB of memory in use. ENERGY: 157400 4065.6252 20529.2721 14429.9616 239.7262 -202863.3161 2324.3603 0.0000 0.0000 52063.0187 -109211.3519 299.2069 -161274.3706 -108854.3027 299.7820 -273.8052 -246.0851 761844.3657 11.3219 11.4629 PRESSURE: 157600 -256.976 -119.894 -285.313 -119.895 65.4482 137.331 -285.314 137.331 239.98 GPRESSURE: 157600 -203.38 -225.511 -265.565 -119.824 131.674 75.9838 -379.834 180.021 218.049 PRESSAVG: 157600 9.95188 3.19776 -12.4891 3.19774 -4.56931 -21.538 -12.4892 -21.538 -17.3635 GPRESSAVG: 157600 9.76684 0.629622 -12.9616 3.43735 -5.29758 -20.3888 -14.4104 -22.5451 -16.6527 TIMING: 157600 CPU: 495.647, 0.00318294/step Wall: 495.647, 0.00318294/step, 4.2814 hours remaining, 232.980469 MB of memory in use. ENERGY: 157600 3869.9722 20406.0130 14457.8142 262.4672 -202979.2863 2442.0161 0.0000 0.0000 52083.7874 -109457.2161 299.3262 -161541.0035 -109089.5812 299.7196 16.1506 48.7812 761881.1550 -3.9936 -4.0611 PRESSURE: 157800 -39.0702 -3.04591 -126.956 -3.04562 -87.8154 90.7123 -126.955 90.7119 -128.522 GPRESSURE: 157800 -103.032 -2.15856 -95.0593 47.3368 8.9577 71.0074 -120.937 191.578 -82.0759 PRESSAVG: 157800 -102.034 2.04517 -38.6067 2.0452 91.0681 37.0361 -38.6067 37.0361 14.5992 GPRESSAVG: 157800 -101.208 4.24988 -40.1753 2.10997 91.5384 35.8071 -36.784 37.1994 13.2829 TIMING: 157800 CPU: 496.276, 0.00314502/step Wall: 496.276, 0.00314502/step, 4.23022 hours remaining, 232.980469 MB of memory in use. ENERGY: 157800 3989.8816 20406.4573 14411.2969 238.3425 -202833.9828 2103.7331 0.0000 0.0000 52405.3401 -109278.9313 301.1742 -161684.2715 -108908.7915 299.5014 -85.1358 -58.7167 760942.3026 1.2112 1.2046 PRESSURE: 158000 125.462 -82.8683 26.2719 -82.8686 -28.3183 79.2801 26.2722 79.2805 336.024 GPRESSURE: 158000 143.928 -84.2562 69.953 -66.4126 -15.1258 20.3701 33.4585 134.698 400.367 PRESSAVG: 158000 -52.2511 -44.7328 -78.7416 -44.7328 98.0492 35.8003 -78.7416 35.8002 -1.37952 GPRESSAVG: 158000 -51.7475 -45.42 -76.4491 -45.1813 97.4564 34.998 -80.7698 36.702 -0.827695 TIMING: 158000 CPU: 496.904, 0.00314068/step Wall: 496.904, 0.00314068/step, 4.22421 hours remaining, 232.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 158000 3960.2890 20648.7561 14439.7150 233.9179 -203458.0414 2690.4333 0.0000 0.0000 52271.0836 -109213.8466 300.4026 -161484.9302 -108856.4612 300.1358 144.3892 176.3896 760506.3621 14.8062 14.9604 PRESSURE: 158200 94.8816 10.1057 -177.621 10.1057 50.3805 -4.26608 -177.621 -4.26672 -137.764 GPRESSURE: 158200 128.946 -62.6462 -185.341 18.3715 28.7043 85.3314 -86.6973 1.85059 -70.0235 PRESSAVG: 158200 -20.8966 -51.3425 -32.0127 -51.3426 12.8693 39.2858 -32.0127 39.2857 24.7929 GPRESSAVG: 158200 -21.4984 -50.1008 -34.2942 -51.9697 12.5206 41.1619 -27.669 39.0017 25.6495 TIMING: 158200 CPU: 497.532, 0.00313994/step Wall: 497.532, 0.00313994/step, 4.22304 hours remaining, 232.980469 MB of memory in use. ENERGY: 158200 3998.2679 20408.7888 14456.4983 242.0064 -202928.2942 2427.8597 0.0000 0.0000 51958.1880 -109436.6851 298.6044 -161394.8731 -109079.2002 299.7372 2.4993 29.2088 761633.2182 5.5885 5.5572 PRESSURE: 158400 -3.99287 196.174 169.643 196.173 -274.732 25.8086 169.643 25.8082 -36.089 GPRESSURE: 158400 -70.25 130.427 197.908 71.0698 -172.191 21.1384 96.1551 49.6806 -2.11457 PRESSAVG: 158400 20.6541 -52.8349 14.0566 -52.8349 -26.4057 65.5119 14.0566 65.5118 -3.41422 GPRESSAVG: 158400 21.688 -53.8679 14.319 -53.7163 -26.3972 64.0577 10.7451 65.0376 -4.35879 TIMING: 158400 CPU: 498.168, 0.00317806/step Wall: 498.168, 0.00317806/step, 4.27414 hours remaining, 232.980469 MB of memory in use. ENERGY: 158400 4092.5097 20560.4511 14388.3823 254.4700 -203137.5449 2558.8047 0.0000 0.0000 51912.2069 -109370.7202 298.3402 -161282.9271 -109018.4902 299.3361 -104.9379 -81.5185 762608.4650 -3.0553 -3.0226 PRESSURE: 158600 291.238 -47.8365 -309.309 -47.8369 -36.7737 -124.276 -309.309 -124.277 -172.562 GPRESSURE: 158600 279.817 -83.8099 -239.941 -66.554 37.5128 -157.232 -166.591 -74.9831 -135.827 PRESSAVG: 158600 11.784 -33.989 -0.277961 -33.989 -26.5722 12.2527 -0.277993 12.2526 13.967 GPRESSAVG: 158600 11.1286 -34.6 0.225428 -33.1609 -25.3897 12.2955 1.76121 11.728 13.175 TIMING: 158600 CPU: 498.794, 0.00313354/step Wall: 498.794, 0.00313354/step, 4.21409 hours remaining, 232.980469 MB of memory in use. ENERGY: 158600 4040.9904 20407.6542 14553.9088 251.9645 -203846.9675 3065.4556 0.0000 0.0000 52185.2478 -109341.7461 299.9093 -161526.9940 -108981.2305 299.7765 27.3007 60.5010 759687.3099 -0.2737 -0.3620 PRESSURE: 158800 87.1802 -36.6081 60.2628 -36.608 -309.954 51.2288 60.2629 51.2291 13.6817 GPRESSURE: 158800 106.673 -0.885502 109.677 -125.606 -174.728 15.1844 92.9478 167.687 -59.6303 PRESSAVG: 158800 -108.793 -34.7922 -35.0872 -34.7923 106.202 -15.117 -35.0871 -15.1168 -17.177 GPRESSAVG: 158800 -109.589 -33.902 -36.3444 -33.3375 106.691 -15.1104 -36.4695 -12.0417 -16.7291 TIMING: 158800 CPU: 499.432, 0.00318699/step Wall: 499.432, 0.00318699/step, 4.2858 hours remaining, 232.980469 MB of memory in use. ENERGY: 158800 3891.8958 20453.9441 14387.4364 260.4022 -202915.1964 2290.6664 0.0000 0.0000 52226.8878 -109403.9637 300.1486 -161630.8515 -109044.1631 299.6969 -69.6974 -42.5617 760636.6493 -6.5891 -6.5422 PRESSURE: 159000 17.3893 187.079 -126.29 187.079 313.086 131.019 -126.29 131.019 -251.038 GPRESSURE: 159000 122.509 104.188 -118.873 181.471 292.898 193.638 70.6637 77.0031 -239.521 PRESSAVG: 159000 -28.4629 -18.9349 -3.50373 -18.9348 88.9956 -19.2262 -3.50379 -19.2262 15.1593 GPRESSAVG: 159000 -27.5268 -17.9029 -1.79736 -20.1855 88.0753 -18.5799 -1.45038 -21.4802 14.9116 TIMING: 159000 CPU: 500.064, 0.0031601/step Wall: 500.064, 0.00316009/step, 4.24945 hours remaining, 232.980469 MB of memory in use. ENERGY: 159000 4002.3394 20499.5211 14442.9628 240.2066 -203112.7697 2600.7501 0.0000 0.0000 52149.3862 -109177.6035 299.7032 -161326.9897 -108820.2303 299.8700 26.4792 58.6289 761245.1118 25.2307 25.1534 PRESSURE: 159200 -275.525 -224.224 -128.086 -224.224 -474.374 155.056 -128.086 155.057 -0.853011 GPRESSURE: 159200 -215.862 -129.189 -52.7486 -152.058 -405.257 156.538 -168.357 145.086 -37.8721 PRESSAVG: 159200 16.6005 34.3789 5.16647 34.3788 41.6259 -15.2123 5.16649 -15.2123 -9.57102 GPRESSAVG: 159200 17.3593 35.177 4.14942 36.4313 42.1801 -16.159 5.22309 -13.6522 -10.6602 TIMING: 159200 CPU: 500.699, 0.00317374/step Wall: 500.699, 0.00317374/step, 4.26762 hours remaining, 232.980469 MB of memory in use. ENERGY: 159200 4023.9101 20422.8854 14479.1161 246.3816 -202827.6844 2268.0424 0.0000 0.0000 52139.9659 -109247.3829 299.6491 -161387.3488 -108872.7030 300.2671 -250.2508 -219.6639 760781.4088 16.2184 16.2931 PRESSURE: 159400 15.0689 38.1199 1.24563 38.1194 -309.798 185.934 1.24553 185.933 87.8335 GPRESSURE: 159400 -43.5778 59.404 -101.062 -56.6974 -166.006 156.421 17.3499 69.6284 100.107 PRESSAVG: 159400 16.5819 -50.6268 -1.45885 -50.6269 23.3055 17.4342 -1.4588 17.4341 0.242387 GPRESSAVG: 159400 16.362 -52.6107 -2.74563 -51.4919 22.736 16.7475 -2.68482 15.3491 0.930421 TIMING: 159400 CPU: 501.333, 0.00317404/step Wall: 501.333, 0.00317404/step, 4.26785 hours remaining, 232.980469 MB of memory in use. ENERGY: 159400 3935.6226 20530.4675 14444.8530 233.5648 -202749.0515 2017.8309 0.0000 0.0000 52250.4647 -109336.2480 300.2841 -161586.7128 -108974.2224 300.3595 -68.9652 -36.4923 761124.1431 13.3766 13.3428 PRESSURE: 159600 -260.762 -23.3666 -47.3661 -23.3663 -376.9 -55.6203 -47.3658 -55.6194 -294.126 GPRESSURE: 159600 -286.14 -35.6169 -12.599 10.2932 -225.801 -98.359 -77.8151 81.4867 -336.083 PRESSAVG: 159600 -60.8621 8.33001 -43.4693 8.33003 27.9303 56.24 -43.4693 56.24 -30.3811 GPRESSAVG: 159600 -59.6811 9.71951 -42.7545 9.18762 25.8878 56.2659 -42.7845 56.8743 -30.1691 TIMING: 159600 CPU: 501.962, 0.00314201/step Wall: 501.962, 0.00314201/step, 4.2246 hours remaining, 232.980469 MB of memory in use. ENERGY: 159600 3916.7074 20592.5706 14484.8861 257.9017 -203015.9859 1986.2275 0.0000 0.0000 52289.5051 -109488.1875 300.5085 -161777.6926 -109124.7358 300.1108 -310.5959 -282.6749 760661.4924 -21.1043 -21.3208 PRESSURE: 159800 224.396 -98.2082 -47.2956 -98.2081 -43.7365 175.769 -47.2952 175.77 58.5171 GPRESSURE: 159800 192.29 -127.745 62.3203 -57.0077 104.116 155.646 -52.0718 191.735 32.549 PRESSAVG: 159800 -18.937 -11.4046 46.1515 -11.4046 21.1698 -2.26819 46.1515 -2.26824 -5.88243 GPRESSAVG: 159800 -21.3333 -11.0179 47.7729 -13.6097 23.1197 -2.30433 43.5103 -2.45226 -5.57301 TIMING: 159800 CPU: 502.593, 0.00315612/step Wall: 502.593, 0.00315612/step, 4.24341 hours remaining, 232.980469 MB of memory in use. ENERGY: 159800 4010.0633 20628.0724 14497.3165 225.1332 -203627.5064 2642.0037 0.0000 0.0000 52265.3317 -109359.5856 300.3696 -161624.9173 -109013.6218 299.7579 79.7257 109.6516 760086.0737 -1.2165 -1.2622 PRESSURE: 160000 -229.367 129.224 94.6838 129.224 152.393 -12.6772 94.6832 -12.6787 398.661 GPRESSURE: 160000 -206.349 86.0253 30.628 186.665 157.375 -29.2035 34.8402 -13.35 427.165 PRESSAVG: 160000 1.94728 -39.7765 33.987 -39.7765 40.7331 -31.0581 33.9869 -31.0581 -13.56 GPRESSAVG: 160000 2.80476 -41.5773 31.3759 -39.2759 39.8356 -28.6208 35.1611 -31.2272 -14.3229 TIMING: 160000 CPU: 503.223, 0.00315021/step Wall: 503.223, 0.00315021/step, 4.23529 hours remaining, 232.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 160000 4003.4093 20493.9043 14488.1931 240.1331 -203426.4220 2632.7246 0.0000 0.0000 52328.9981 -109239.0596 300.7355 -161568.0577 -108862.4395 299.9098 107.2290 126.0635 761715.8363 9.7068 9.4392 PRESSURE: 160200 -227.644 -189.924 -81.9822 -189.924 113.887 -65.0526 -81.9819 -65.0529 133.229 GPRESSURE: 160200 -151.497 -144.524 -81.5353 -287.254 168.427 -12.3595 -166.395 104.809 69.1703 PRESSAVG: 160200 -24.0742 -52.5524 61.2634 -52.5525 10.4694 27.0461 61.2633 27.0461 -4.25191 GPRESSAVG: 160200 -23.8395 -52.6431 64.8218 -52.7556 11.2043 26.254 60.6605 28.1973 -5.26243 TIMING: 160200 CPU: 503.86, 0.00318585/step Wall: 503.86, 0.00318585/step, 4.28303 hours remaining, 232.980469 MB of memory in use. ENERGY: 160200 4013.7229 20521.8867 14500.0530 246.8217 -203181.9630 2599.8222 0.0000 0.0000 52229.7586 -109069.8979 300.1651 -161299.6565 -108712.7020 300.3651 6.4907 28.7001 758897.7409 -5.9523 -5.9659 LDB: ============= START OF LOAD BALANCING ============== 516.259 LDB: ============== END OF LOAD BALANCING =============== 516.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 516.261 LDB: ============= START OF LOAD BALANCING ============== 516.579 LDB: Largest compute 7025 load 0.038254 is 19.6% of average load 0.195603 LDB: Average compute 0.004379 is 2.2% of average load 0.195603 LDB: TIME 516.582 LOAD: AVG 0.195603 MAX 0.216002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 230.984 MB LDB: TIME 516.583 LOAD: AVG 0.195603 MAX 0.216002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.984 MB LDB: TIME 516.583 LOAD: AVG 0.195603 MAX 0.216002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.984 MB LDB: ============== END OF LOAD BALANCING =============== 516.585 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 516.589 PRESSURE: 160400 -110.98 -36.1433 -143.433 -36.1422 292.809 222.029 -143.433 222.029 -260.29 GPRESSURE: 160400 -33.3293 -24.0907 -212.596 26.398 294.513 207.616 -75.5314 31.5682 -261.595 PRESSAVG: 160400 -85.9136 -6.4779 -11.0129 -6.47793 86.4596 17.0898 -11.0129 17.0898 12.9839 GPRESSAVG: 160400 -84.2201 -5.99587 -13.2517 -6.92428 85.8315 16.6547 -9.80002 17.462 12.6962 TIMING: 160400 CPU: 504.507, 0.00323351/step Wall: 504.507, 0.00323351/step, 4.34692 hours remaining, 232.777344 MB of memory in use. ENERGY: 160400 3977.3062 20671.4681 14494.7796 257.9296 -203248.5763 2425.6972 0.0000 0.0000 52236.5690 -109184.8266 300.2043 -161421.3956 -108824.8992 299.9070 -26.1533 -0.1371 759712.3418 4.5099 4.7692 PRESSURE: 160600 158.589 197.171 209.63 197.172 229.009 25.1196 209.631 25.1197 -37.4005 GPRESSURE: 160600 209.363 259.545 316.272 91.813 225.611 -49.0946 97.2283 -90.1427 -17.4715 PRESSAVG: 160600 -54.4277 -28.7827 -21.9819 -28.7827 78.3779 -51.6509 -21.9819 -51.651 -2.84437 GPRESSAVG: 160600 -56.9702 -30.1781 -22.1343 -27.7279 78.7045 -52.4247 -22.304 -52.0188 -0.688268 TIMING: 160600 CPU: 505.133, 0.00312804/step Wall: 505.133, 0.00312804/step, 4.20495 hours remaining, 232.843750 MB of memory in use. ENERGY: 160600 3935.6918 20577.7472 14432.4464 262.0847 -203079.1212 2600.8997 0.0000 0.0000 52188.0226 -109082.2288 299.9253 -161270.2514 -108714.4017 300.2446 116.7325 139.1677 761592.9772 7.0353 7.0153 PRESSURE: 160800 -95.3726 -82.834 7.19801 -82.8341 -150.77 -63.8617 7.19723 -63.8617 -283.318 GPRESSURE: 160800 -78.4506 15.9551 -33.2233 -69.736 -87.9518 -66.3375 -53.9793 -71.0182 -251.713 PRESSAVG: 160800 -18.5669 -41.439 38.7453 -41.439 -1.46658 37.7262 38.7453 37.7262 -17.3038 GPRESSAVG: 160800 -17.5783 -38.6193 37.8474 -39.711 -1.25876 39.3765 38.0185 36.2909 -18.1491 TIMING: 160800 CPU: 505.764, 0.00315501/step Wall: 505.764, 0.00315501/step, 4.24103 hours remaining, 232.843750 MB of memory in use. ENERGY: 160800 4014.5082 20432.6242 14476.1495 268.3833 -202808.8196 2258.2393 0.0000 0.0000 52388.9649 -108969.9501 301.0801 -161358.9151 -108606.3866 300.4275 -176.4869 -139.3718 762653.5637 -12.4458 -12.3287 PRESSURE: 161000 60.8165 41.582 -28.0712 41.5812 -120.037 -20.2079 -28.0708 -20.2071 144.138 GPRESSURE: 161000 7.1455 68.2161 14.4015 -41.7175 -20.7787 -38.3224 -19.1079 -27.8983 177.848 PRESSAVG: 161000 -11.7749 -23.0748 -2.40473 -23.0749 -63.9927 10.5652 -2.40482 10.5651 21.0229 GPRESSAVG: 161000 -12.0723 -24.8862 -1.36835 -23.5501 -64.3438 9.82805 -2.22356 12.7202 21.5257 TIMING: 161000 CPU: 506.395, 0.00315808/step Wall: 506.395, 0.00315808/step, 4.24499 hours remaining, 232.843750 MB of memory in use. ENERGY: 161000 3993.4114 20377.3097 14472.4233 251.2136 -203386.8704 2754.8429 0.0000 0.0000 52472.0692 -109065.6003 301.5577 -161537.6695 -108702.0103 300.1976 28.3057 54.7383 762547.7215 -18.2482 -18.2968 PRESSURE: 161200 130.473 63.3188 -61.0279 63.3189 226.514 -75.8659 -61.0273 -75.8656 176.359 GPRESSURE: 161200 87.4498 -28.1666 -105.481 -91.4246 260.358 -37.948 2.4968 67.6637 295.736 PRESSAVG: 161200 50.5831 18.3836 -38.9506 18.3837 -18.2192 4.51258 -38.9506 4.51263 11.0141 GPRESSAVG: 161200 50.2967 18.8247 -38.0608 16.4184 -18.1219 4.09222 -37.6109 3.2866 11.3546 TIMING: 161200 CPU: 507.026, 0.00315486/step Wall: 507.026, 0.00315487/step, 4.24049 hours remaining, 232.843750 MB of memory in use. ENERGY: 161200 4087.4482 20385.1952 14466.9018 253.8162 -203288.6574 2783.4186 0.0000 0.0000 52243.0082 -109068.8693 300.2413 -161311.8775 -108713.0779 300.4720 177.7819 214.5145 761577.0344 14.4593 14.5098 PRESSURE: 161400 29.2116 -117.559 -241.563 -117.558 -18.7218 -314.468 -241.563 -314.468 -31.2214 GPRESSURE: 161400 -21.9233 -85.7315 -208.751 -100.745 -8.0159 -300.032 -358.868 -262.787 69.9795 PRESSAVG: 161400 22.5488 -58.8148 21.2516 -58.8148 7.24201 -64.7752 21.2516 -64.7752 2.4377 GPRESSAVG: 161400 21.2981 -58.3136 20.3774 -57.9878 8.13107 -63.9719 18.52 -63.4102 2.29181 TIMING: 161400 CPU: 507.661, 0.00317278/step Wall: 507.661, 0.00317278/step, 4.26439 hours remaining, 232.843750 MB of memory in use. ENERGY: 161400 4031.8740 20397.5460 14490.3215 245.6306 -203408.0968 2860.3357 0.0000 0.0000 52378.7353 -109003.6537 301.0213 -161382.3891 -108641.6865 300.8256 -6.9105 13.3468 761195.9555 10.7428 10.5737 PRESSURE: 161600 97.9415 81.9556 -43.2563 81.9546 -161.197 103.973 -43.2568 103.973 -500.7 GPRESSURE: 161600 71.5501 -16.1305 -67.8394 -56.6162 -141.642 226.039 -3.48277 104.021 -418.181 PRESSAVG: 161600 -29.1164 -57.1021 14.9982 -57.1021 -1.37696 -35.388 14.9982 -35.388 4.40301 GPRESSAVG: 161600 -28.9155 -58.1894 13.3816 -58.0123 -2.86557 -36.4291 18.0811 -37.9615 5.4108 TIMING: 161600 CPU: 508.293, 0.00316267/step Wall: 508.293, 0.00316267/step, 4.25062 hours remaining, 232.843750 MB of memory in use. ENERGY: 161600 3983.5540 20425.3279 14411.0676 249.7691 -203005.1525 2380.7788 0.0000 0.0000 52252.2182 -109302.4369 300.2942 -161554.6551 -108937.9610 299.7779 -187.9853 -162.7577 762416.5650 -8.6968 -8.7901 PRESSURE: 161800 -211.145 -57.2087 13.9269 -57.2091 123.117 -165.133 13.9272 -165.134 -205.051 GPRESSURE: 161800 -108.049 -68.2961 30.9973 -9.38457 113.655 -124.999 81.8385 -129.378 -220.639 PRESSAVG: 161800 21.4992 -60.789 -17.6967 -60.789 -29.6191 46.1208 -17.6967 46.1208 -8.36052 GPRESSAVG: 161800 22.8016 -60.3807 -15.6765 -59.2521 -29.7494 47.7654 -18.4071 49.686 -9.16099 TIMING: 161800 CPU: 508.925, 0.00315993/step Wall: 508.925, 0.00315993/step, 4.24677 hours remaining, 232.843750 MB of memory in use. ENERGY: 161800 4078.3959 20354.7696 14452.3421 229.6455 -202847.4159 2510.2693 0.0000 0.0000 52041.2220 -109180.7716 299.0816 -161221.9936 -108813.3428 299.8246 -97.6931 -71.6774 761207.1817 -5.4935 -5.3696 PRESSURE: 162000 -143.474 -48.0361 65.0142 -48.0362 -371.703 -27.0768 65.0137 -27.0762 -545.6 GPRESSURE: 162000 -186.844 -84.4289 38.5431 48.4421 -340.934 0.926275 44.6879 -110.131 -460.16 PRESSAVG: 162000 32.2275 -32.4742 9.0413 -32.4743 -28.7501 36.8558 9.04128 36.8558 25.268 GPRESSAVG: 162000 31.4291 -33.4319 8.57909 -30.2185 -27.8244 38.1601 7.2569 34.2691 25.2406 TIMING: 162000 CPU: 509.557, 0.00315878/step Wall: 509.557, 0.00315878/step, 4.24505 hours remaining, 232.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 162000 3949.8611 20591.9118 14442.9920 239.4265 -202578.3175 2049.8996 0.0000 0.0000 52047.1611 -109257.0654 299.1158 -161304.2266 -108894.7450 299.9806 -353.5923 -329.3125 762169.0657 9.5818 9.6151 PRESSURE: 162200 180.42 -28.3353 -116.612 -28.3339 -164.787 48.8727 -116.611 48.8721 161.495 GPRESSURE: 162200 307.613 43.0001 -107.52 -109.653 -181.914 45.6134 -100.774 -37.3226 136.676 PRESSAVG: 162200 24.7451 2.19445 24.8402 2.19449 -8.67471 -23.7706 24.8402 -23.7706 -32.7946 GPRESSAVG: 162200 24.4265 3.1846 25.9529 1.45626 -8.14233 -25.9644 25.0791 -23.369 -33.3277 TIMING: 162200 CPU: 510.188, 0.00315514/step Wall: 510.188, 0.00315514/step, 4.23998 hours remaining, 232.843750 MB of memory in use. ENERGY: 162200 4007.2208 20561.8805 14475.5786 255.7425 -203071.5346 2514.6720 0.0000 0.0000 51960.2790 -109296.1611 298.6164 -161256.4402 -108945.3020 300.1617 59.0425 87.4584 761309.7474 -5.5747 -5.6812 PRESSURE: 162400 214.016 -44.8175 -29.3605 -44.8171 -162.025 37.599 -29.3611 37.5984 61.8218 GPRESSURE: 162400 262.024 -78.2193 -109.259 -98.6509 -80.2102 22.0955 -53.7463 -104.663 40.5205 PRESSAVG: 162400 13.1262 -11.2515 4.21736 -11.2516 34.0171 18.0469 4.21734 18.0468 5.97314 GPRESSAVG: 162400 12.9457 -11.439 2.86034 -12.2895 34.9134 18.4176 4.62948 19.8482 6.12803 TIMING: 162400 CPU: 510.817, 0.00314496/step Wall: 510.817, 0.00314496/step, 4.22613 hours remaining, 232.843750 MB of memory in use. ENERGY: 162400 4012.0624 20452.3813 14453.8861 251.1534 -203675.5596 2792.0542 0.0000 0.0000 52124.3306 -109589.6915 299.5592 -161714.0221 -109225.7718 299.4382 37.9375 74.1116 761577.8942 17.7055 17.9957 PRESSURE: 162600 131.652 10.4137 25.9862 10.4143 86.0475 38.988 25.9869 38.9891 125.067 GPRESSURE: 162600 197.376 -68.09 30.4848 97.1431 101.915 72.1651 97.6739 -37.0611 140.371 PRESSAVG: 162600 35.5808 -3.61417 38.1366 -3.61422 -70.0551 25.2673 38.1366 25.2673 9.325 GPRESSAVG: 162600 37.3566 -3.62885 39.8528 -2.34109 -71.3184 24.5095 38.2178 25.6777 9.22931 TIMING: 162600 CPU: 511.445, 0.0031421/step Wall: 511.445, 0.0031421/step, 4.22211 hours remaining, 232.843750 MB of memory in use. ENERGY: 162600 3942.0116 20552.7623 14417.4901 227.4457 -203468.3359 2600.4715 0.0000 0.0000 51956.1883 -109771.9664 298.5929 -161728.1547 -109416.2524 298.8865 114.2556 146.5540 760681.2596 -8.3831 -8.2442 PRESSURE: 162800 -114.843 86.1952 59.4986 86.1949 -35.6164 -81.4554 59.4984 -81.4547 -184.489 GPRESSURE: 162800 -121.727 -42.4864 105.137 59.8496 44.7221 4.70167 75.6353 -98.8993 -166.488 PRESSAVG: 162800 31.12 -37.8187 -42.9691 -37.8186 -26.5647 21.196 -42.9692 21.1959 13.6375 GPRESSAVG: 162800 30.0698 -37.2325 -44.0088 -39.8289 -26.3006 21.6374 -41.3039 20.3406 14.3271 TIMING: 162800 CPU: 512.078, 0.00316133/step Wall: 512.078, 0.00316132/step, 4.24777 hours remaining, 232.843750 MB of memory in use. ENERGY: 162800 4034.5772 20327.0557 14351.4921 236.7810 -203439.3694 2602.4678 0.0000 0.0000 51970.3236 -109916.6721 298.6742 -161886.9956 -109568.9432 298.4866 -111.6495 -81.1642 761253.9252 6.0643 6.0321 PRESSURE: 163000 27.1766 -73.0295 -79.3365 -73.0296 -92.6719 -145.411 -79.3375 -145.412 342.226 GPRESSURE: 163000 92.5612 -191.722 2.19517 -0.980671 -71.7167 -161.581 -161.079 -59.7912 335.06 PRESSAVG: 163000 -19.6349 -47.9779 -23.9438 -47.9779 18.9416 -23.9877 -23.9438 -23.9876 14.6419 GPRESSAVG: 163000 -20.6099 -47.6158 -22.1597 -47.1223 19.2125 -24.3582 -25.9918 -23.2934 15.7057 TIMING: 163000 CPU: 512.709, 0.00315862/step Wall: 512.709, 0.00315862/step, 4.24396 hours remaining, 232.843750 MB of memory in use. ENERGY: 163000 3979.2521 20451.9961 14387.3740 224.1091 -203391.1420 2492.8572 0.0000 0.0000 51952.6522 -109902.9014 298.5726 -161855.5536 -109549.7351 298.4918 92.2437 118.6349 759640.5467 4.6496 4.7694 PRESSURE: 163200 215.422 18.0686 -92.0963 18.069 105.401 -167.656 -92.0957 -167.657 -166.418 GPRESSURE: 163200 317.149 -75.1481 -77.4 38.346 29.2715 -129.822 -51.111 -129.228 -127.134 PRESSAVG: 163200 56.3687 -47.1522 -30.8505 -47.1521 -46.8553 -14.5072 -30.8506 -14.5072 13.9676 GPRESSAVG: 163200 57.2771 -49.6524 -32.1097 -48.0381 -48.3283 -14.8309 -28.4842 -13.7483 13.8833 TIMING: 163200 CPU: 513.341, 0.00315928/step Wall: 513.341, 0.00315928/step, 4.24466 hours remaining, 232.843750 MB of memory in use. ENERGY: 163200 3885.9178 20424.5917 14451.9338 238.6090 -203666.1269 2732.1908 0.0000 0.0000 52090.4945 -109842.3893 299.3648 -161932.8838 -109487.6212 298.5669 51.4682 73.0954 759235.5242 7.8270 7.6107 PRESSURE: 163400 -75.4325 53.5927 -46.5764 53.5927 133.828 94.1787 -46.5761 94.1783 -63.3844 GPRESSURE: 163400 -26.1949 -47.2959 3.00099 41.4312 59.9667 50.4179 -100.538 52.7431 29.3689 PRESSAVG: 163400 11.106 -55.1958 -21.9371 -55.1958 11.8678 2.8563 -21.9371 2.85627 13.0437 GPRESSAVG: 163400 10.7962 -53.2653 -22.4552 -54.9142 14.2073 4.09929 -21.7479 1.07095 11.3353 TIMING: 163400 CPU: 513.973, 0.00315812/step Wall: 513.973, 0.00315812/step, 4.24294 hours remaining, 232.843750 MB of memory in use. ENERGY: 163400 3978.5880 20534.9949 14445.3890 227.8206 -203541.4925 2707.9576 0.0000 0.0000 51919.0748 -109727.6676 298.3796 -161646.7425 -109382.9415 298.9058 -1.6628 21.0469 760678.2194 12.0058 12.1129 PRESSURE: 163600 -104.286 126.24 133.139 126.24 179.551 251.005 133.139 251.004 10.9576 GPRESSURE: 163600 -103.056 147.167 133.76 83.2008 220.962 206.677 6.85332 238.721 32.6114 PRESSAVG: 163600 42.6475 -85.1116 9.91301 -85.1116 -20.2848 5.031 9.91308 5.03096 -11.4498 GPRESSAVG: 163600 43.0014 -84.1431 10.042 -84.3285 -20.5195 4.17888 9.09415 6.41422 -11.3889 TIMING: 163600 CPU: 514.603, 0.00315197/step Wall: 514.603, 0.00315197/step, 4.2345 hours remaining, 232.843750 MB of memory in use. ENERGY: 163600 3929.0577 20539.7953 14420.4423 258.2846 -203785.1690 2639.2579 0.0000 0.0000 52190.2827 -109808.0485 299.9383 -161998.3312 -109444.4544 298.6940 28.7410 50.1723 759450.4502 3.6376 3.6977 PRESSURE: 163800 39.243 112.211 -54.3753 112.211 -541.293 -82.1815 -54.3748 -82.1823 -270.713 GPRESSURE: 163800 111.817 -17.2956 -69.7005 136.654 -537.41 28.0479 27.2696 -69.1547 -235.9 PRESSAVG: 163800 -15.8518 6.15662 13.588 6.15662 17.3149 -38.0431 13.588 -38.0431 8.47154 GPRESSAVG: 163800 -14.4084 5.79776 13.0451 4.77935 15.8467 -36.6384 13.4767 -39.191 8.96525 TIMING: 163800 CPU: 515.232, 0.00314133/step Wall: 515.232, 0.00314133/step, 4.22003 hours remaining, 232.843750 MB of memory in use. ENERGY: 163800 3976.1779 20530.6057 14419.9214 221.9414 -203163.8359 2378.0593 0.0000 0.0000 51849.6984 -109787.4317 297.9809 -161637.1302 -109434.4628 298.8102 -257.5875 -220.4978 762487.6396 3.3116 3.4679 PRESSURE: 164000 -135.758 59.3412 -218.621 59.3424 310.319 -202.677 -218.621 -202.678 -229.83 GPRESSURE: 164000 -7.27022 -54.8817 -238.794 99.7295 251.784 -253.625 -109.224 -181.494 -223.684 PRESSAVG: 164000 -43.1148 -11.7392 -59.2156 -11.7391 28.7788 3.46524 -59.2157 3.46522 30.1909 GPRESSAVG: 164000 -43.2295 -12.9925 -59.2323 -10.9192 30.1504 1.91109 -57.141 4.44719 29.0812 TIMING: 164000 CPU: 515.864, 0.00316242/step Wall: 515.864, 0.00316242/step, 4.24819 hours remaining, 232.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 164000 4012.0273 20446.5493 14421.8446 243.9051 -203507.4752 2662.0372 0.0000 0.0000 51933.6953 -109787.4166 298.4637 -161721.1118 -109418.2401 298.8731 -18.4231 6.9433 759541.8320 5.2850 5.3340 PRESSURE: 164200 224.878 -178.74 -4.56765 -178.739 367.115 -253.335 -4.56659 -253.335 58.7447 GPRESSURE: 164200 209.373 -111.516 -9.97005 -294.494 351.127 -213.453 -29.4177 -97.9274 202.112 PRESSAVG: 164200 9.14109 -107.347 17.7354 -107.347 13.8737 -35.1277 17.7354 -35.1277 -6.2152 GPRESSAVG: 164200 8.46964 -105.671 17.9047 -107.581 14.2547 -34.4745 18.8835 -34.4974 -5.58495 TIMING: 164200 CPU: 516.499, 0.0031726/step Wall: 516.499, 0.0031726/step, 4.26168 hours remaining, 232.843750 MB of memory in use. ENERGY: 164200 3987.4476 20478.2302 14486.6008 251.6539 -203754.0915 2804.5239 0.0000 0.0000 52181.9727 -109563.6624 299.8905 -161745.6351 -109206.5386 299.0362 216.9127 254.2040 759605.5773 5.5999 5.7131 LDB: ============= START OF LOAD BALANCING ============== 528.899 LDB: ============== END OF LOAD BALANCING =============== 528.899 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 528.901 LDB: ============= START OF LOAD BALANCING ============== 529.217 LDB: Largest compute 7025 load 0.035668 is 18.2% of average load 0.195628 LDB: Average compute 0.004383 is 2.2% of average load 0.195628 LDB: TIME 529.221 LOAD: AVG 0.195628 MAX 0.214952 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.348 MB LDB: TIME 529.221 LOAD: AVG 0.195628 MAX 0.214952 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: TIME 529.221 LOAD: AVG 0.195628 MAX 0.214952 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: ============== END OF LOAD BALANCING =============== 529.223 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 529.228 PRESSURE: 164400 -60.2011 -126.948 189.439 -126.948 -25.8155 39.6469 189.44 39.6476 140.354 GPRESSURE: 164400 -2.36949 -161.385 111.764 -82.4703 -5.76301 50.5291 102.179 73.318 148.412 PRESSAVG: 164400 -27.0636 -26.0575 51.2263 -26.0575 41.1451 -36.3916 51.2263 -36.3915 -4.33143 GPRESSAVG: 164400 -27.2724 -26.7684 49.4668 -27.1956 41.6799 -36.1268 47.6672 -38.3476 -4.74317 TIMING: 164400 CPU: 517.146, 0.00323556/step Wall: 517.146, 0.00323556/step, 4.34608 hours remaining, 233.343750 MB of memory in use. ENERGY: 164400 4009.4253 20588.1449 14497.9634 259.1943 -203122.7413 2491.4420 0.0000 0.0000 51998.4898 -109278.0816 298.8360 -161276.5714 -108921.6574 299.7689 18.1126 46.7600 760047.0254 3.2500 3.2214 PRESSURE: 164600 -95.2688 -64.4879 149.596 -64.4882 -220.379 -63.5092 149.596 -63.5103 -15.5549 GPRESSURE: 164600 -2.24926 -153.709 183.613 102.976 -242.681 -87.9933 68.7851 -153.22 19.1112 PRESSAVG: 164600 3.21219 -38.8453 43.811 -38.8454 24.299 -10.293 43.811 -10.293 0.768907 GPRESSAVG: 164600 3.8836 -36.4691 46.8359 -39.2338 22.9158 -10.5539 44.5423 -9.70409 1.16706 TIMING: 164600 CPU: 517.773, 0.00313786/step Wall: 517.773, 0.00313786/step, 4.21467 hours remaining, 233.410156 MB of memory in use. ENERGY: 164600 3966.1179 20506.5149 14447.9588 233.4639 -203027.5718 2613.2164 0.0000 0.0000 52088.2557 -109172.0442 299.3519 -161260.2999 -108813.0844 300.1364 -110.4008 -75.2729 761761.2353 9.4267 9.3222 PRESSURE: 164800 -68.113 -149.833 -65.8824 -149.833 -196.603 -135.538 -65.8817 -135.539 147.813 GPRESSURE: 164800 -148.721 -64.0976 -66.1225 -212.951 -106.49 -147.099 -139.808 -86.8949 227.661 PRESSAVG: 164800 -31.6375 -7.09366 -4.91798 -7.09357 1.40791 22.5315 -4.91805 22.5315 -3.58624 GPRESSAVG: 164800 -32.5504 -6.92303 -6.31516 -6.99186 1.2963 23.1604 -3.27823 23.7214 -3.30908 TIMING: 164800 CPU: 518.4, 0.00313345/step Wall: 518.4, 0.00313345/step, 4.20857 hours remaining, 233.410156 MB of memory in use. ENERGY: 164800 4003.5297 20554.6609 14495.4719 274.5065 -203173.3839 2500.3372 0.0000 0.0000 52070.0899 -109274.7878 299.2475 -161344.8777 -108915.3749 300.0835 -38.9674 -9.1832 762756.6145 -11.2719 -11.5211 PRESSURE: 165000 117.439 -71.5464 -50.2241 -71.547 290.493 -96.609 -50.2251 -96.611 -78.1398 GPRESSURE: 165000 224.42 -131.979 -8.69994 -88.1756 331.074 -66.1725 -101.547 51.515 -128.596 PRESSAVG: 165000 -16.7269 -1.95734 -36.291 -1.95734 25.9882 -39.2149 -36.291 -39.2149 34.3698 GPRESSAVG: 165000 -16.9786 -5.92122 -35.979 -1.26878 26.3264 -39.3092 -37.2159 -38.7026 35.0508 TIMING: 165000 CPU: 519.03, 0.00314961/step Wall: 519.03, 0.00314961/step, 4.2301 hours remaining, 233.410156 MB of memory in use. ENERGY: 165000 3892.1337 20467.3331 14429.9921 262.0096 -203498.5671 2621.0530 0.0000 0.0000 52246.7833 -109579.2623 300.2630 -161826.0456 -109214.8108 299.3753 109.9307 142.2995 761132.1500 14.5437 14.7995 PRESSURE: 165200 238.369 13.6345 103.301 13.6345 374.027 -168.896 103.3 -168.896 102.592 GPRESSURE: 165200 329.096 -44.9785 90.2321 103.339 326.03 -267.141 55.1329 -74.9364 153.102 PRESSAVG: 165200 -12.787 -9.06488 8.18553 -9.06491 8.55201 -27.894 8.18553 -27.894 7.22743 GPRESSAVG: 165200 -11.2997 -7.28425 8.22862 -10.4223 8.50208 -29.7276 8.94139 -28.1719 5.90492 TIMING: 165200 CPU: 519.659, 0.00314603/step Wall: 519.659, 0.00314603/step, 4.22511 hours remaining, 233.410156 MB of memory in use. ENERGY: 165200 4019.2813 20578.0122 14465.5458 249.3439 -203514.0818 2753.1694 0.0000 0.0000 52221.0270 -109227.7022 300.1150 -161448.7292 -108861.6499 299.6458 238.3296 269.4092 760613.5634 0.9975 1.0358 PRESSURE: 165400 -150.198 -89.1006 -20.663 -89.1007 -389.169 205.268 -20.6632 205.267 -172.815 GPRESSURE: 165400 -194.081 17.6851 -40.2984 -99.7795 -270.398 251.163 13.4482 21.1619 -164.465 PRESSAVG: 165400 -0.399006 -25.5597 0.607807 -25.5597 -2.99182 0.910278 0.607763 0.910313 3.08329 GPRESSAVG: 165400 -1.19662 -24.5933 0.447494 -24.7011 -3.54608 1.69313 -1.11964 0.388009 4.14256 TIMING: 165400 CPU: 520.289, 0.00314996/step Wall: 520.289, 0.00314996/step, 4.23022 hours remaining, 233.410156 MB of memory in use. ENERGY: 165400 4105.4065 20532.5564 14512.4163 266.4809 -203703.2827 2695.8383 0.0000 0.0000 52228.2974 -109362.2870 300.1567 -161590.5844 -108991.3130 300.6863 -237.3939 -209.6481 761557.0627 -0.1025 -0.2000 PRESSURE: 165600 213.92 59.9454 126.178 59.9453 142.823 8.12425 126.178 8.12385 193.858 GPRESSURE: 165600 203.878 140.753 167.448 32.4623 280.187 39.0546 84.1107 -0.922911 151.337 PRESSAVG: 165600 4.45375 -21.1133 25.1492 -21.1132 -24.7417 14.3545 25.1492 14.3546 0.442988 GPRESSAVG: 165600 4.81729 -22.0421 25.911 -21.1534 -24.3333 15.4166 23.8595 14.5529 -0.436782 TIMING: 165600 CPU: 520.918, 0.00314539/step Wall: 520.918, 0.00314539/step, 4.22391 hours remaining, 233.410156 MB of memory in use. ENERGY: 165600 3959.6329 20704.7801 14446.2776 242.7163 -203606.5736 2779.5339 0.0000 0.0000 51962.7363 -109510.8965 298.6306 -161473.6328 -109146.7229 299.7234 183.5337 211.8010 759830.9736 -6.6150 -6.6509 PRESSURE: 165800 490.17 90.2458 -235.033 90.2465 179.046 41.0375 -235.033 41.038 163.601 GPRESSURE: 165800 477.027 125.175 -207.604 35.7792 191.926 116.215 -187.955 124.251 249.117 PRESSAVG: 165800 -15.4769 -32.3826 1.27476 -32.3826 13.8312 32.3851 1.2748 32.385 -8.56106 GPRESSAVG: 165800 -15.7034 -31.3909 0.920925 -32.3394 13.1839 30.3647 3.22862 33.5696 -7.93443 TIMING: 165800 CPU: 521.544, 0.00312869/step Wall: 521.544, 0.00312869/step, 4.20131 hours remaining, 233.410156 MB of memory in use. ENERGY: 165800 4033.9679 20657.4380 14433.3892 251.8788 -203988.0023 3096.9209 0.0000 0.0000 52076.1378 -109438.2696 299.2823 -161514.4074 -109089.2382 299.3429 277.6055 306.0233 760077.0896 -3.4022 -3.4846 PRESSURE: 166000 155.562 -158.104 -38.87 -158.104 94.7434 56.4389 -38.8693 56.4384 -8.12277 GPRESSURE: 166000 94.7634 -249.798 -30.044 -56.6887 248.647 51.3075 -11.0184 166.095 -21.7405 PRESSAVG: 166000 51.8516 -28.1359 -25.6891 -28.136 13.6458 -5.10655 -25.6891 -5.10649 17.8131 GPRESSAVG: 166000 51.2034 -30.4503 -24.2232 -28.4875 14.7145 -4.78848 -27.3335 -3.88575 17.5364 TIMING: 166000 CPU: 522.169, 0.00312458/step Wall: 522.169, 0.00312458/step, 4.19562 hours remaining, 233.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 166000 4025.3664 20523.1551 14412.7362 226.7956 -203535.1918 2655.4737 0.0000 0.0000 52090.8557 -109600.8092 299.3669 -161691.6648 -109239.8185 299.3054 80.7277 107.2232 759827.6518 27.7702 27.8181 PRESSURE: 166200 -144.854 34.4682 207.762 34.4686 -102.361 95.7373 207.762 95.7367 -276.303 GPRESSURE: 166200 -154.331 -43.9793 227.648 -54.6296 -69.8613 123.337 127.509 66.1199 -214.425 PRESSAVG: 166200 -14.8607 -17.7297 -6.33324 -17.7296 21.507 22.1392 -6.33329 22.1392 15.8436 GPRESSAVG: 166200 -13.6803 -16.8613 -6.94113 -18.0868 20.8366 21.8429 -5.7167 22.235 15.2128 TIMING: 166200 CPU: 522.797, 0.00314359/step Wall: 522.797, 0.00314359/step, 4.22097 hours remaining, 233.410156 MB of memory in use. ENERGY: 166200 3983.8396 20575.3310 14465.0921 244.7844 -203418.6569 2503.9952 0.0000 0.0000 52137.9157 -109507.6988 299.6373 -161645.6145 -109144.4751 299.5865 -174.5057 -146.2059 761461.5551 7.4966 7.4564 PRESSURE: 166400 376.21 -22.1414 153.855 -22.1417 260.125 -126.995 153.856 -126.997 292.705 GPRESSURE: 166400 371.196 -66.2417 141.526 -61.5514 364.219 -222.9 -0.033654 -101.804 269.062 PRESSAVG: 166400 19.2001 18.7344 -22.4821 18.7345 8.64872 11.0346 -22.4821 11.0348 15.9852 GPRESSAVG: 166400 17.7206 17.0981 -22.4777 17.2218 9.51103 12.2908 -20.6589 8.48314 15.9367 TIMING: 166400 CPU: 523.425, 0.00313551/step Wall: 523.425, 0.00313551/step, 4.20995 hours remaining, 233.410156 MB of memory in use. ENERGY: 166400 4007.2083 20556.2261 14536.9242 244.6149 -203967.8479 3076.9102 0.0000 0.0000 52120.8500 -109425.1141 299.5392 -161545.9641 -109069.4454 299.9113 309.6798 334.8257 759441.8726 14.6113 14.3894 PRESSURE: 166600 242.054 20.585 116.647 20.5853 -388.188 -105.417 116.646 -105.417 -149.051 GPRESSURE: 166600 276.999 -11.3329 56.5076 28.7752 -374.188 -102.264 164.538 -61.5889 -117.067 PRESSAVG: 166600 66.8748 11.0546 41.1359 11.0547 -6.12533 19.6461 41.1359 19.6461 -8.53744 GPRESSAVG: 166600 67.8985 12.5667 39.2712 12.0714 -5.91186 19.6121 41.2493 19.5375 -9.50364 TIMING: 166600 CPU: 524.051, 0.00313307/step Wall: 524.051, 0.00313307/step, 4.2065 hours remaining, 233.410156 MB of memory in use. ENERGY: 166600 3975.7698 20516.1275 14566.3478 250.6001 -203315.5065 2466.2802 0.0000 0.0000 52096.4746 -109443.9065 299.3992 -161540.3811 -109077.1072 299.8164 -98.3951 -71.4189 760129.0821 17.4040 17.4943 PRESSURE: 166800 127.285 -78.3797 -229.306 -78.3788 -32.229 118.252 -229.306 118.25 -521.845 GPRESSURE: 166800 118.768 -38.3689 -135.651 -121.585 0.379621 194.002 -155.445 151.828 -470.86 PRESSAVG: 166800 -1.44548 -37.973 5.76739 -37.973 -10.0157 14.1799 5.76735 14.1799 19.9249 GPRESSAVG: 166800 -2.1896 -38.272 5.56701 -36.3513 -9.98139 14.1517 3.66909 16.4525 21.332 TIMING: 166800 CPU: 524.676, 0.00312589/step Wall: 524.676, 0.00312589/step, 4.19668 hours remaining, 233.410156 MB of memory in use. ENERGY: 166800 3936.1220 20621.0895 14464.9731 263.5949 -202957.6019 2107.1529 0.0000 0.0000 52165.8446 -109398.8248 299.7978 -161564.6694 -109028.4498 299.7357 -142.2630 -117.2376 761042.2095 2.8212 3.0537 PRESSURE: 167000 127.909 -33.1438 172.418 -33.1428 -197.325 -47.8434 172.418 -47.8418 15.8825 GPRESSURE: 167000 93.7842 -52.2978 154.66 -73.6089 -95.7419 11.7094 246.249 -92.1638 31.7405 PRESSAVG: 167000 10.6241 -33.3381 -20.3239 -33.3381 -35.0442 26.529 -20.3239 26.529 -15.9858 GPRESSAVG: 167000 11.4736 -31.5562 -19.6492 -35.2019 -35.6934 26.064 -19.2073 25.4969 -16.1527 TIMING: 167000 CPU: 525.304, 0.00313697/step Wall: 525.304, 0.00313697/step, 4.21139 hours remaining, 233.410156 MB of memory in use. ENERGY: 167000 3981.6559 20555.9245 14452.4640 253.4917 -203695.7201 2683.9541 0.0000 0.0000 52181.7991 -109586.4309 299.8895 -161768.2300 -109222.5877 299.6089 -17.8445 9.9276 759771.8036 -13.4687 -13.4575 PRESSURE: 167200 -12.6444 80.2664 -69.5978 80.2659 52.2295 -119.703 -69.5984 -119.704 -3.99372 GPRESSURE: 167200 39.5008 135.625 -201.403 136.076 121.113 -117.213 54.7337 -158.036 -44.357 PRESSAVG: 167200 54.0319 -53.4018 33.8896 -53.4019 -32.0948 10.3332 33.8896 10.3332 23.2652 GPRESSAVG: 167200 52.6135 -54.8646 31.993 -52.3523 -30.8637 11.5651 31.8077 9.62271 23.4517 TIMING: 167200 CPU: 525.93, 0.00313145/step Wall: 525.93, 0.00313145/step, 4.2038 hours remaining, 233.410156 MB of memory in use. ENERGY: 167200 4020.2008 20516.5334 14354.7878 253.8723 -203305.1479 2394.6550 0.0000 0.0000 52031.3637 -109733.7350 299.0250 -161765.0987 -109360.3911 299.0746 11.8638 38.7523 760944.7106 15.0674 15.0671 PRESSURE: 167400 -119.341 23.0223 1.80895 23.0218 -170.88 102.631 1.80935 102.631 -171.806 GPRESSURE: 167400 -19.8715 42.6762 21.229 29.8483 -187.401 94.4583 -5.42855 74.2987 -165.519 PRESSAVG: 167400 17.5899 11.5308 49.3058 11.5308 -28.9688 -6.77768 49.3058 -6.77766 -28.3995 GPRESSAVG: 167400 19.3568 10.9052 50.5315 12.8945 -30.0937 -6.46456 50.3393 -6.22108 -28.8316 TIMING: 167400 CPU: 526.558, 0.00313947/step Wall: 526.558, 0.00313947/step, 4.2144 hours remaining, 233.410156 MB of memory in use. ENERGY: 167400 3905.8008 20362.3622 14464.5906 220.3042 -203438.1661 2331.5454 0.0000 0.0000 52164.6861 -109988.8768 299.7912 -162153.5629 -109607.3374 298.6295 -154.0092 -124.2636 761970.6884 -13.2594 -13.1895 PRESSURE: 167600 -329.324 148.144 -271.852 148.144 311.617 52.0148 -271.852 52.014 325.834 GPRESSURE: 167600 -180.14 81.5551 -275.171 30.3865 277.364 43.1916 -175.086 -100.011 280.369 PRESSAVG: 167600 6.01738 -22.0164 41.1058 -22.0165 3.6797 70.5395 41.1057 70.5395 -12.6794 GPRESSAVG: 167600 6.11957 -23.8071 41.5579 -21.8203 4.10422 70.0574 43.2755 69.7012 -12.6895 TIMING: 167600 CPU: 527.185, 0.00313602/step Wall: 527.185, 0.00313602/step, 4.20959 hours remaining, 233.410156 MB of memory in use. ENERGY: 167600 4030.7246 20487.5634 14445.0100 258.8767 -204097.0250 2860.6775 0.0000 0.0000 51805.8980 -110208.2749 297.7292 -162014.1729 -109851.7936 298.1351 102.7087 125.8642 760699.6412 -0.9941 -0.8219 PRESSURE: 167800 347.247 88.3645 67.9722 88.3649 62.7214 -91.7206 67.9723 -91.7208 158.463 GPRESSURE: 167800 394.615 130.8 63.9498 -79.7004 106.695 -109.129 42.6809 104.085 109.875 PRESSAVG: 167800 18.1211 -24.713 -77.4313 -24.713 -24.9132 53.9313 -77.4313 53.9312 14.053 GPRESSAVG: 167800 16.872 -21.126 -77.5315 -28.2219 -24.3693 53.5059 -81.149 54.6144 14.0599 TIMING: 167800 CPU: 527.813, 0.00313955/step Wall: 527.813, 0.00313955/step, 4.21415 hours remaining, 233.410156 MB of memory in use. ENERGY: 167800 3991.4946 20432.4714 14444.9262 232.8899 -203764.9226 2656.2981 0.0000 0.0000 51770.8997 -110235.9427 297.5281 -162006.8424 -109874.9061 297.8027 189.4773 203.7282 760755.8836 2.4203 2.1875 PRESSURE: 168000 192.043 46.2758 6.42749 46.275 49.0231 -217.724 6.42757 -217.726 135.555 GPRESSURE: 168000 274.09 27.7786 -51.9954 67.3625 20.2989 -174.923 59.1511 -175.269 169.143 PRESSAVG: 168000 -10.1484 29.3533 -4.00358 29.3532 -37.8112 37.3677 -4.00362 37.3678 -4.18322 GPRESSAVG: 168000 -9.81547 27.5327 -5.1434 32.3828 -38.2014 38.9365 -3.65139 35.8011 -4.11197 TIMING: 168000 CPU: 528.445, 0.00316011/step Wall: 528.445, 0.00316011/step, 4.24157 hours remaining, 233.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 168000 3951.4532 20432.6772 14467.4176 224.4212 -203529.4836 2692.4736 0.0000 0.0000 51569.1056 -110191.9352 296.3684 -161761.0408 -109843.0329 297.5247 125.5405 154.5107 762635.2644 -17.3809 -17.3763 PRESSURE: 168200 -135.504 -12.2961 -46.5646 -12.2957 -311.197 179.107 -46.5645 179.105 91.7059 GPRESSURE: 168200 -96.3325 4.6227 -108.398 -0.664382 -189.214 268.713 -118.697 157.677 42.0477 PRESSAVG: 168200 2.40637 39.4452 14.9464 39.4451 -10.0953 28.6887 14.9463 28.6887 6.8247 GPRESSAVG: 168200 3.02735 39.6391 15.2282 37.7271 -9.81617 28.975 15.9329 29.1859 6.3908 TIMING: 168200 CPU: 529.073, 0.00314066/step Wall: 529.073, 0.00314066/step, 4.21529 hours remaining, 233.410156 MB of memory in use. ENERGY: 168200 3952.3202 20457.5315 14384.0162 245.1235 -203839.5575 2760.9473 0.0000 0.0000 51899.0440 -110140.5747 298.2645 -162039.6187 -109780.3144 297.6491 -118.3319 -81.1663 761230.2027 -0.2881 -0.1327 LDB: ============= START OF LOAD BALANCING ============== 541.469 LDB: ============== END OF LOAD BALANCING =============== 541.469 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 541.471 LDB: ============= START OF LOAD BALANCING ============== 541.785 LDB: Largest compute 7025 load 0.033167 is 17.0% of average load 0.195589 LDB: Average compute 0.004357 is 2.2% of average load 0.195589 LDB: TIME 541.788 LOAD: AVG 0.195589 MAX 0.217629 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.121 MB LDB: TIME 541.789 LOAD: AVG 0.195589 MAX 0.217629 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.234 MB LDB: TIME 541.789 LOAD: AVG 0.195589 MAX 0.217629 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 541.791 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 541.795 PRESSURE: 168400 174.743 47.1465 -49.8956 47.1465 -83.9935 -5.72359 -49.8964 -5.72334 101.889 GPRESSURE: 168400 141.455 8.53655 -124.072 142.792 44.2419 43.4925 7.46612 -3.54688 84.3265 PRESSAVG: 168400 -30.7917 45.1822 -20.8488 45.1822 -2.23773 38.5764 -20.8488 38.5765 -0.981601 GPRESSAVG: 168400 -31.4133 44.1879 -20.5955 46.026 -2.0931 37.8657 -19.982 38.3852 -0.998994 TIMING: 168400 CPU: 529.713, 0.0031973/step Wall: 529.713, 0.00319731/step, 4.29114 hours remaining, 232.632812 MB of memory in use. ENERGY: 168400 3936.2595 20464.9036 14353.0119 240.2572 -203426.0744 2602.3093 0.0000 0.0000 51783.6601 -110045.6727 297.6014 -161829.3328 -109683.2758 297.9804 64.2129 90.0079 760395.2224 -11.3370 -11.5018 PRESSURE: 168600 -301.871 14.509 70.1845 14.5086 -114.725 56.443 70.1852 56.4419 70.5748 GPRESSURE: 168600 -303.545 -42.165 134.437 51.0984 -63.3275 58.2361 -111.622 -40.3886 118.433 PRESSAVG: 168600 -15.3717 17.8004 -8.33241 17.8005 7.44919 37.6153 -8.33244 37.6152 26.5028 GPRESSAVG: 168600 -15.7063 17.6214 -7.58891 19.5011 7.57506 38.9334 -10.0345 38.4366 26.537 TIMING: 168600 CPU: 530.34, 0.00313515/step Wall: 530.34, 0.00313515/step, 4.20754 hours remaining, 232.835938 MB of memory in use. ENERGY: 168600 3947.0300 20401.4078 14352.3183 269.9977 -203595.1983 2493.3994 0.0000 0.0000 52303.1111 -109827.9340 300.5867 -162131.0451 -109463.1196 298.6908 -115.3404 -82.8131 760485.7663 6.1934 6.1353 PRESSURE: 168800 68.5011 10.4415 15.0988 10.4414 109.804 -154.719 15.0992 -154.717 -82.4698 GPRESSURE: 168800 92.0087 -1.63708 53.4536 3.11605 125.246 -143.127 115.142 -122.151 -52.9635 PRESSAVG: 168800 1.34351 29.6196 -37.8933 29.6196 46.6586 64.7222 -37.8933 64.7222 -20.5827 GPRESSAVG: 168800 1.74368 32.7297 -37.6228 25.9025 45.8028 65.4963 -36.8398 63.1141 -20.4222 TIMING: 168800 CPU: 530.966, 0.00312924/step Wall: 530.966, 0.00312924/step, 4.19944 hours remaining, 232.835938 MB of memory in use. ENERGY: 168800 3985.0569 20493.8946 14344.2186 279.2560 -203299.5356 2436.0890 0.0000 0.0000 52149.9265 -109611.0940 299.7063 -161761.0206 -109247.4022 299.0126 31.9452 54.7637 760972.7893 9.1398 9.0414 PRESSURE: 169000 257.98 -100.611 93.674 -100.611 19.2603 -33.7851 93.6742 -33.7842 82.3319 GPRESSURE: 169000 227.322 -220.411 0.433009 -54.5106 134.288 -30.3777 -61.4399 -21.6525 63.6394 PRESSAVG: 169000 -7.01621 -21.5751 12.1248 -21.5751 -1.33111 3.91886 12.1248 3.91897 2.68751 GPRESSAVG: 169000 -6.69355 -24.6747 11.509 -20.7482 -1.4214 2.42238 12.3862 6.0164 2.94139 TIMING: 169000 CPU: 531.594, 0.00314342/step Wall: 531.594, 0.00314342/step, 4.2183 hours remaining, 232.835938 MB of memory in use. ENERGY: 169000 3995.0031 20438.5703 14439.8687 234.6319 -203356.4697 2505.0930 0.0000 0.0000 51998.7826 -109744.5201 298.8377 -161743.3027 -109383.1536 298.9226 119.8574 141.7497 759559.2241 -1.8866 -1.7245 PRESSURE: 169200 -375.813 58.276 -116.914 58.2761 -370.525 178.854 -116.915 178.854 108.333 GPRESSURE: 169200 -287.365 -87.9396 -139.443 -27.7553 -338.737 110.964 -154.977 101.671 71.2133 PRESSAVG: 169200 33.1812 -78.8689 -44.7123 -78.8689 -12.2401 13.3107 -44.7124 13.3106 18.5438 GPRESSAVG: 169200 32.4515 -78.2434 -44.893 -76.5917 -11.1852 14.9552 -44.5246 10.9772 18.4148 TIMING: 169200 CPU: 532.224, 0.00314636/step Wall: 532.224, 0.00314636/step, 4.22206 hours remaining, 233.039062 MB of memory in use. ENERGY: 169200 3987.1776 20502.5238 14396.2724 252.1963 -202520.7253 2048.1854 0.0000 0.0000 51715.3612 -109619.0085 297.2089 -161334.3697 -109259.6694 298.6386 -212.6684 -184.9630 762452.1003 13.1616 13.2270 PRESSURE: 169400 -246.517 -266.647 -265.824 -266.648 181.494 47.0408 -265.826 47.0406 13.9532 GPRESSURE: 169400 -199.296 -301.106 -225.892 -225.256 214.217 35.8396 -151.828 -0.149406 45.0769 PRESSAVG: 169400 -14.0959 -61.2479 -43.4154 -61.2479 0.548745 21.7493 -43.4154 21.7492 3.9359 GPRESSAVG: 169400 -12.5216 -60.9176 -42.7427 -62.6697 -0.484645 19.3101 -45.2137 23.3393 3.90521 TIMING: 169400 CPU: 532.853, 0.00314561/step Wall: 532.853, 0.00314561/step, 4.22089 hours remaining, 233.039062 MB of memory in use. ENERGY: 169400 3963.7146 20363.1502 14422.8155 233.6697 -202957.4492 2288.6660 0.0000 0.0000 52004.9862 -109680.4470 298.8734 -161685.4332 -109314.4506 298.4994 -17.0234 19.9996 759571.9405 -3.2038 -3.0337 PRESSURE: 169600 -180.471 -133.823 347.459 -133.823 -51.3883 306.44 347.459 306.44 -212.645 GPRESSURE: 169600 -243.625 -111.066 378.285 -133.793 101.766 270.264 272.19 349.867 -207.848 PRESSAVG: 169600 -35.1839 -103.967 -31.5737 -103.967 32.9244 25.1789 -31.5737 25.1789 -19.9964 GPRESSAVG: 169600 -36.2022 -103.382 -32.3712 -102.605 33.6049 27.3469 -29.5432 25.7947 -20.3015 TIMING: 169600 CPU: 533.482, 0.0031459/step Wall: 533.482, 0.0031459/step, 4.2211 hours remaining, 233.039062 MB of memory in use. ENERGY: 169600 3944.3609 20438.1761 14408.8465 245.6918 -203402.3881 2639.0742 0.0000 0.0000 52051.6282 -109674.6103 299.1414 -161726.2386 -109314.1211 298.8340 -148.1680 -116.5691 760763.6793 -7.4186 -7.6329 PRESSURE: 169800 -443.939 -50.019 -46.171 -50.0188 -335.718 -61.7381 -46.1703 -61.7378 -2.17427 GPRESSURE: 169800 -446.043 -128.941 -129.033 -51.3674 -304.38 0.440554 -93.6014 -186.196 44.3528 PRESSAVG: 169800 0.999398 -43.6561 10.1661 -43.6561 -37.8888 21.2486 10.1662 21.2486 -9.74564 GPRESSAVG: 169800 1.87409 -44.7105 9.73455 -44.1518 -37.4852 19.9563 10.0453 19.9336 -10.9171 TIMING: 169800 CPU: 534.108, 0.00313326/step Wall: 534.108, 0.00313326/step, 4.20397 hours remaining, 233.039062 MB of memory in use. ENERGY: 169800 4016.1333 20578.1029 14455.5585 250.5920 -203089.9868 2477.0888 0.0000 0.0000 51933.3432 -109379.1681 298.4616 -161312.5113 -109020.3976 299.3491 -260.6105 -235.3566 762974.0862 -15.5450 -15.5094 PRESSURE: 170000 99.8386 -39.945 -84.3657 -39.9457 163.156 -213.187 -84.3662 -213.188 286.24 GPRESSURE: 170000 167.958 -20.8391 21.2836 -40.6789 120.107 -241.458 -149.561 -82.0305 348.962 PRESSAVG: 170000 27.579 -51.5634 44.8441 -51.5634 -15.264 4.42604 44.844 4.42615 5.42416 GPRESSAVG: 170000 27.1286 -53.0924 46.5183 -50.3374 -14.9534 3.76762 42.4519 4.29765 6.01131 TIMING: 170000 CPU: 534.734, 0.00312542/step Wall: 534.734, 0.00312542/step, 4.19327 hours remaining, 233.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 170000 3957.9793 20595.4888 14423.9956 255.2304 -203467.8939 2696.0887 0.0000 0.0000 52125.0422 -109414.0689 299.5633 -161539.1112 -109054.2557 299.4597 183.0782 212.3424 760739.5941 5.9131 6.0622 PRESSURE: 170200 -266.427 127.96 -31.9603 127.961 -193.27 49.0807 -31.9606 49.0798 -10.5768 GPRESSURE: 170200 -158.429 161.345 83.9111 36.991 -111.23 25.2713 -67.9361 -70.4646 -124.733 PRESSAVG: 170200 -14.3188 -7.00293 8.91523 -7.00295 10.6732 -18.2427 8.91518 -18.2428 -1.16114 GPRESSAVG: 170200 -12.8684 -5.6656 8.27928 -7.14938 9.58654 -17.7457 9.54535 -19.1472 -2.11137 TIMING: 170200 CPU: 535.358, 0.00312422/step Wall: 535.358, 0.00312422/step, 4.19148 hours remaining, 233.039062 MB of memory in use. ENERGY: 170200 3948.1794 20501.0622 14371.4485 262.7418 -203013.6007 2531.3748 0.0000 0.0000 51948.7282 -109450.0658 298.5501 -161398.7940 -109084.4051 299.6851 -156.7578 -131.4637 762265.8692 -1.6022 -1.7977 PRESSURE: 170400 -280.707 -88.2192 -44.4215 -88.2192 -261.395 260.529 -44.4215 260.529 -226.222 GPRESSURE: 170400 -220.204 -105.149 -75.9466 -125.505 -222.87 303.894 -69.4597 234.777 -241.083 PRESSAVG: 170400 -58.6117 -37.5093 -51.8013 -37.5093 42.4508 8.33577 -51.8013 8.33567 24.1504 GPRESSAVG: 170400 -58.8902 -38.4552 -51.4079 -36.1343 43.0518 9.45456 -52.7716 9.09309 23.7931 TIMING: 170400 CPU: 535.989, 0.00315131/step Wall: 535.989, 0.00315131/step, 4.22766 hours remaining, 233.039062 MB of memory in use. ENERGY: 170400 4024.1641 20731.8973 14496.6590 225.6044 -203090.7560 2558.2135 0.0000 0.0000 51986.9683 -109067.2494 298.7698 -161054.2177 -108721.3574 299.5640 -256.1077 -228.0527 762109.0232 2.6632 2.6516 PRESSURE: 170600 -226.085 -38.7995 -39.3348 -38.7995 -407.508 -243.649 -39.3344 -243.648 -135.594 GPRESSURE: 170600 -246.236 90.2969 -40.0719 -84.6068 -323.524 -171.01 45.3903 -181.656 -114.917 PRESSAVG: 170600 -5.21202 -57.8254 -40.5071 -57.8254 -21.8719 11.9443 -40.507 11.9442 10.3852 GPRESSAVG: 170600 -5.66021 -58.0373 -43.4004 -59.5516 -22.8079 10.746 -36.9937 13.9294 11.3592 TIMING: 170600 CPU: 536.616, 0.00313435/step Wall: 536.616, 0.00313435/step, 4.20473 hours remaining, 233.039062 MB of memory in use. ENERGY: 170600 4005.7323 20566.3256 14489.2225 250.7355 -202966.4589 2423.4155 0.0000 0.0000 52130.6281 -109100.3994 299.5954 -161231.0275 -108731.0430 300.3595 -256.3953 -228.2257 761800.8785 -5.5662 -5.7030 PRESSURE: 170800 -669.066 -36.1925 49.6733 -36.1919 -467.092 -268.599 49.6744 -268.599 -10.1822 GPRESSURE: 170800 -675.812 -7.98581 40.4635 -67.2379 -312.048 -322.522 165.697 -312.68 -83.7136 PRESSAVG: 170800 -30.0955 -23.2378 -12.502 -23.2378 40.9241 1.57331 -12.502 1.5733 25.1967 GPRESSAVG: 170800 -31.1753 -21.313 -8.97912 -22.3654 42.1063 2.67763 -13.298 0.0873246 25.2602 TIMING: 170800 CPU: 537.241, 0.00312732/step Wall: 537.241, 0.00312732/step, 4.19513 hours remaining, 233.039062 MB of memory in use. ENERGY: 170800 4065.2245 20674.4767 14434.1579 245.4723 -203102.0662 2113.9372 0.0000 0.0000 52274.2482 -109294.5494 300.4208 -161568.7976 -108935.1021 299.7271 -382.1134 -357.1910 761645.9194 12.0084 12.0637 PRESSURE: 171000 -11.1241 -69.073 67.1641 -69.0721 -87.1248 73.1838 67.1634 73.1839 -213.193 GPRESSURE: 171000 65.051 -120.862 88.7995 -99.4348 -99.3394 47.4259 -11.2303 -118.512 -211.033 PRESSAVG: 171000 -77.3415 -12.4231 13.7958 -12.4232 24.0194 -47.0496 13.7958 -47.0496 1.67345 GPRESSAVG: 171000 -76.2272 -12.7319 11.5088 -13.1167 23.023 -47.9448 13.0171 -47.4731 0.808691 TIMING: 171000 CPU: 537.865, 0.00311845/step Wall: 537.865, 0.00311845/step, 4.18305 hours remaining, 233.039062 MB of memory in use. ENERGY: 171000 4010.9158 20677.3592 14433.0256 267.4494 -203447.1964 2585.4757 0.0000 0.0000 52089.4589 -109383.5118 299.3588 -161472.9707 -109020.7385 299.6489 -103.8139 -81.7739 762321.9064 -17.2162 -17.4652 PRESSURE: 171200 -150.674 -266.813 -152.971 -266.813 -92.6066 -110.678 -152.97 -110.676 -96.6132 GPRESSURE: 171200 -101.103 -178.051 -123.107 -57.6411 -104.855 -75.5648 -261.938 -10.0362 -43.823 PRESSAVG: 171200 -39.6261 -40.7023 19.819 -40.7022 17.4835 -14.1731 19.8191 -14.1731 -30.411 GPRESSAVG: 171200 -40.6057 -39.9761 19.7983 -40.0112 17.3166 -13.4495 21.0027 -13.785 -29.1132 TIMING: 171200 CPU: 538.495, 0.00315152/step Wall: 538.495, 0.00315152/step, 4.22723 hours remaining, 233.039062 MB of memory in use. ENERGY: 171200 4059.8472 20635.1774 14443.0795 251.9170 -203578.6123 2759.6518 0.0000 0.0000 52187.9516 -109240.9878 299.9249 -161428.9395 -108877.9294 300.0130 -113.2980 -83.2603 760967.5189 -17.5178 -17.4674 PRESSURE: 171400 525.507 40.3934 140.657 40.3935 77.7936 -52.6359 140.656 -52.6352 -107.299 GPRESSURE: 171400 479.135 -34.6153 109.833 161.891 107.345 -94.3128 119.348 -78.5626 -18.349 PRESSAVG: 171400 -0.282991 -49.8343 -13.9345 -49.8342 66.9012 5.44422 -13.9345 5.44419 8.37247 GPRESSAVG: 171400 -0.368616 -51.5741 -13.799 -50.7755 67.3719 5.31328 -13.9888 5.7548 7.76486 TIMING: 171400 CPU: 539.121, 0.00313149/step Wall: 539.121, 0.00313149/step, 4.20019 hours remaining, 233.039062 MB of memory in use. ENERGY: 171400 3966.6581 20640.5706 14453.5094 236.2227 -203512.0880 2694.6193 0.0000 0.0000 52091.7802 -109428.7276 299.3722 -161520.5079 -109053.6743 299.9827 165.3339 189.3771 761985.8019 24.9969 24.9227 PRESSURE: 171600 291.272 130.874 -22.9041 130.874 107.151 13.8391 -22.9038 13.838 -144.257 GPRESSURE: 171600 333.152 120.457 50.7374 71.1588 141.456 52.6586 -105.819 -89.9744 -155.88 PRESSAVG: 171600 34.3766 3.84171 2.90887 3.84171 -34.1647 -49.5706 2.90881 -49.5706 -3.50246 GPRESSAVG: 171600 34.1149 4.4921 3.80956 3.98924 -33.421 -50.8026 0.312479 -49.2211 -4.12376 TIMING: 171600 CPU: 539.745, 0.0031194/step Wall: 539.745, 0.0031194/step, 4.18381 hours remaining, 233.039062 MB of memory in use. ENERGY: 171600 3955.3737 20609.2811 14498.4448 239.1809 -203989.2829 2808.2002 0.0000 0.0000 52367.9452 -109510.8570 300.9593 -161878.8022 -109146.5451 299.8969 84.7220 106.2428 761664.7907 -1.0969 -1.1433 PRESSURE: 171800 220.283 -26.9681 -76.4827 -26.9689 6.67403 -216.909 -76.4829 -216.908 409.258 GPRESSURE: 171800 292.303 57.07 -0.400545 -56.1571 40.2133 -190.128 -110.566 -231.456 365.621 PRESSAVG: 171800 1.21174 -21.1763 -27.7427 -21.1763 45.3676 -50.1415 -27.7428 -50.1415 6.00185 GPRESSAVG: 171800 2.34243 -20.749 -28.6791 -21.1325 43.8118 -49.2488 -26.4915 -49.9291 6.38946 TIMING: 171800 CPU: 540.373, 0.00314064/step Wall: 540.373, 0.00314064/step, 4.21212 hours remaining, 233.039062 MB of memory in use. ENERGY: 171800 4010.4372 20473.4767 14426.8144 241.8194 -203759.1725 2869.5141 0.0000 0.0000 52534.6173 -109202.4934 301.9172 -161737.1107 -108837.4714 300.2454 212.0717 232.7122 761642.7046 17.5271 17.5146 PRESSURE: 172000 -115.434 49.4314 -25.3768 49.4313 -342.076 -136.447 -25.3756 -136.447 56.646 GPRESSURE: 172000 -61.2098 -0.803949 -19.9528 74.3185 -166.435 -160.858 101.395 -167.741 -67.7314 PRESSAVG: 172000 72.7983 -12.0463 19.0298 -12.0464 -34.1106 -62.2531 19.0299 -62.2531 -5.39459 GPRESSAVG: 172000 71.9106 -12.7149 18.7429 -14.5894 -33.1024 -62.2813 18.6103 -62.6245 -5.12697 TIMING: 172000 CPU: 541, 0.00313372/step Wall: 541, 0.00313372/step, 4.20266 hours remaining, 233.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 172000 3985.0543 20589.7658 14440.1498 246.2679 -202914.5330 2261.8634 0.0000 0.0000 52192.5831 -109198.8486 299.9515 -161391.4318 -108836.6746 300.2060 -133.6213 -98.4588 761367.7458 11.0977 11.2271 PRESSURE: 172200 -32.5119 -231.992 -60.0026 -231.992 323.326 111.251 -60.0023 111.251 -358.034 GPRESSURE: 172200 -23.2197 -260.05 -41.7588 -231.354 321.828 120.573 73.564 158.531 -307.943 PRESSAVG: 172200 -51.5362 -53.0799 32.3905 -53.0798 15.9021 52.8717 32.3905 52.8717 0.796304 GPRESSAVG: 172200 -52.6275 -50.7781 34.1343 -51.1545 15.0123 51.9782 35.6451 52.7474 2.28316 TIMING: 172200 CPU: 541.631, 0.0031553/step Wall: 541.631, 0.0031553/step, 4.23143 hours remaining, 233.039062 MB of memory in use. ENERGY: 172200 4026.9846 20625.5275 14466.5992 246.8732 -203567.8261 2718.8592 0.0000 0.0000 52264.9783 -109218.0041 300.3675 -161482.9824 -108854.7888 300.2738 -22.4067 -3.1115 761736.2662 -11.6126 -11.7774 LDB: ============= START OF LOAD BALANCING ============== 554.028 LDB: ============== END OF LOAD BALANCING =============== 554.028 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 554.03 LDB: ============= START OF LOAD BALANCING ============== 554.345 LDB: Largest compute 7025 load 0.033233 is 17.0% of average load 0.195650 LDB: Average compute 0.004381 is 2.2% of average load 0.195650 LDB: TIME 554.349 LOAD: AVG 0.19565 MAX 0.218182 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.172 MB LDB: TIME 554.349 LOAD: AVG 0.19565 MAX 0.218182 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.172 MB LDB: TIME 554.349 LOAD: AVG 0.19565 MAX 0.218182 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 554.351 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 554.356 PRESSURE: 172400 -228.435 -65.0186 -79.8404 -65.0192 -263.948 36.7159 -79.8397 36.7159 -236.788 GPRESSURE: 172400 -213.454 -76.5895 -110.577 -58.386 -249.208 -11.9903 -94.7587 7.87554 -178.837 PRESSAVG: 172400 -42.4017 -61.2282 112.768 -61.2282 5.2225 44.24 112.768 44.24 18.4352 GPRESSAVG: 172400 -42.8446 -62.78 112.846 -60.6878 6.09714 42.8475 110.502 45.3538 18.2982 TIMING: 172400 CPU: 542.273, 0.00321121/step Wall: 542.273, 0.00321121/step, 4.30624 hours remaining, 232.265625 MB of memory in use. ENERGY: 172400 3980.0639 20429.6373 14479.0164 260.6401 -203288.5351 2487.0591 0.0000 0.0000 52436.3107 -109215.8076 301.3522 -161652.1183 -108839.0441 299.8435 -243.0571 -213.8334 763044.0549 -6.2480 -6.1498 PRESSURE: 172600 -14.7586 -142.815 -61.0613 -142.815 28.3829 -91.2691 -61.0615 -91.2693 154.217 GPRESSURE: 172600 51.4398 -33.6332 -103.129 -178.409 27.1273 -72.7625 30.9252 -55.7809 175.928 PRESSAVG: 172600 -36.587 -26.4774 81.3633 -26.4774 43.9318 -5.82575 81.3633 -5.82565 12.646 GPRESSAVG: 172600 -35.9275 -26.133 81.6957 -27.7778 43.331 -4.35115 80.7829 -6.09537 12.4162 TIMING: 172600 CPU: 542.906, 0.00316194/step Wall: 542.906, 0.00316194/step, 4.23998 hours remaining, 232.324219 MB of memory in use. ENERGY: 172600 3972.2173 20704.0903 14469.4006 247.0751 -203655.9226 2578.1051 0.0000 0.0000 52340.7715 -109344.2628 300.8031 -161685.0342 -108977.9756 299.7714 55.9470 84.8316 761312.6682 6.6636 6.6066 PRESSURE: 172800 110.817 28.3383 144.578 28.3386 -190.405 -25.6632 144.579 -25.663 150.946 GPRESSURE: 172800 72.8093 -127.534 166.707 -88.0597 -41.778 -26.5705 74.057 -12.1422 99.9775 PRESSAVG: 172800 71.4896 -59.9899 50.212 -59.9899 -78.5038 -42.0838 50.212 -42.0838 -33.8779 GPRESSAVG: 172800 72.8985 -62.3859 48.8659 -58.4722 -77.6982 -41.8967 49.0657 -41.3975 -35.513 TIMING: 172800 CPU: 543.535, 0.00314687/step Wall: 543.535, 0.00314687/step, 4.21961 hours remaining, 232.324219 MB of memory in use. ENERGY: 172800 3966.4041 20799.7988 14454.4962 249.5309 -203317.6563 2657.9819 0.0000 0.0000 52208.6682 -108980.7763 300.0439 -161189.4445 -108607.5303 300.0706 23.7859 43.6696 761834.8702 -13.6307 -13.4375 PRESSURE: 173000 -388.68 7.66321 -10.5708 7.66303 -411.761 -21.0067 -10.5699 -21.0062 -114.212 GPRESSURE: 173000 -275.712 81.0265 -55.7308 67.0236 -405.422 46.2825 -98.0423 -27.9432 -162.052 PRESSAVG: 173000 8.75532 -60.5083 -13.2453 -60.5083 18.1392 -41.3068 -13.2453 -41.3068 0.17593 GPRESSAVG: 173000 7.89814 -56.8425 -13.1763 -61.8401 17.4949 -40.282 -11.5913 -43.2764 1.17597 TIMING: 173000 CPU: 544.165, 0.00314861/step Wall: 544.165, 0.00314861/step, 4.22176 hours remaining, 232.324219 MB of memory in use. ENERGY: 173000 3965.3791 20651.2581 14498.0566 262.3156 -203220.6529 2420.2699 0.0000 0.0000 52152.7683 -109270.6053 299.7227 -161423.3736 -108906.0037 300.7255 -304.8845 -281.0622 762397.3099 9.0235 8.8563 PRESSURE: 173200 289.715 167.448 -89.4325 167.448 -65.6725 169.259 -89.4328 169.259 129.098 GPRESSURE: 173200 253.739 132.535 -60.5387 78.2329 73.5328 114.888 -0.282458 75.1514 118.166 PRESSAVG: 173200 -40.0581 -12.3622 -21.4793 -12.3622 -18.5562 33.0173 -21.4794 33.0173 -2.93943 GPRESSAVG: 173200 -39.993 -14.4599 -20.9824 -11.8402 -18.8036 31.2928 -21.8841 35.0891 -2.93449 TIMING: 173200 CPU: 544.793, 0.00314311/step Wall: 544.793, 0.00314311/step, 4.21421 hours remaining, 232.324219 MB of memory in use. ENERGY: 173200 4097.2703 20581.0917 14502.1464 231.9469 -204157.2503 3071.1819 0.0000 0.0000 52271.6009 -109402.0121 300.4056 -161673.6130 -109034.4275 300.0092 117.7135 148.4794 760936.6180 -20.5179 -20.5771 PRESSURE: 173400 29.0561 76.798 246.148 76.7981 260.168 42.0917 246.148 42.0921 -5.05792 GPRESSURE: 173400 51.4867 -0.51719 120.569 27.2394 366.68 10.9137 266.449 -38.4722 -43.7222 PRESSAVG: 173400 13.0578 -26.9253 40.5699 -26.9252 -21.7327 -46.0883 40.57 -46.0883 31.5587 GPRESSAVG: 173400 13.1394 -25.0536 40.2511 -25.8794 -20.7306 -46.1006 40.0142 -48.3787 30.3972 TIMING: 173400 CPU: 545.418, 0.00312508/step Wall: 545.418, 0.00312508/step, 4.18987 hours remaining, 232.335938 MB of memory in use. ENERGY: 173400 4068.7775 20522.6508 14449.7344 242.6351 -203557.6477 2729.2702 0.0000 0.0000 51961.2244 -109583.3552 298.6219 -161544.5797 -109214.5621 299.7412 94.7220 124.8148 762629.1769 7.6279 7.6020 PRESSURE: 173600 -75.5933 -211.511 -57.9996 -211.511 -198.428 31.5139 -57.9995 31.5138 -327.943 GPRESSURE: 173600 -52.3472 -296.551 24.3906 -169.093 -107.09 -44.338 -175.788 67.9846 -351.149 PRESSAVG: 173600 47.6354 -13.657 -27.4521 -13.657 -26.8358 5.49712 -27.452 5.49706 -40.0611 GPRESSAVG: 173600 48.8092 -15.5982 -27.9204 -11.7424 -28.3799 5.18131 -26.0468 7.04653 -39.7379 TIMING: 173600 CPU: 546.044, 0.00312612/step Wall: 546.044, 0.00312612/step, 4.19109 hours remaining, 232.335938 MB of memory in use. ENERGY: 173600 4073.9787 20583.1552 14460.2861 260.4075 -203745.9610 2728.5157 0.0000 0.0000 51858.4087 -109781.2091 298.0310 -161639.6178 -109407.7395 298.6681 -200.6549 -170.1953 761279.5674 -6.4205 -6.4362 PRESSURE: 173800 231.276 -34.9156 192.142 -34.9152 23.9473 81.8692 192.142 81.8691 198.963 GPRESSURE: 173800 256.402 21.7703 133.822 -47.0642 97.8882 -3.88725 140.066 111.968 178.502 PRESSAVG: 173800 -1.03041 -68.3875 -32.3977 -68.3876 -16.4522 24.7627 -32.3977 24.7626 10.0742 GPRESSAVG: 173800 -2.32604 -68.8818 -32.7446 -69.0675 -17.2016 24.3671 -33.2792 24.5678 11.455 TIMING: 173800 CPU: 546.667, 0.00311787/step Wall: 546.667, 0.00311787/step, 4.17985 hours remaining, 232.335938 MB of memory in use. ENERGY: 173800 4002.0413 20530.8901 14483.8552 227.3887 -204356.8592 2995.2830 0.0000 0.0000 52142.5816 -109974.8193 299.6641 -162117.4009 -109612.8621 298.7600 151.3952 177.5973 759033.8973 -2.4695 -2.6909 PRESSURE: 174000 25.5771 -79.9671 -57.7666 -79.9671 99.99 18.3586 -57.7655 18.3582 -76.1492 GPRESSURE: 174000 36.4747 -101.719 -117.442 -91.8381 197.177 31.1768 -46.3165 24.3694 -112.123 PRESSAVG: 174000 -25.6887 -13.2498 36 -13.2498 16.3523 -9.4801 35.9999 -9.48025 3.57392 GPRESSAVG: 174000 -24.8345 -10.4999 38.1489 -16.7053 16.8261 -7.76288 35.1143 -10.8235 2.49998 TIMING: 174000 CPU: 547.293, 0.00312739/step Wall: 547.293, 0.00312739/step, 4.19244 hours remaining, 232.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 174000 4063.5099 20556.3695 14402.6266 236.3898 -204051.3831 2945.4593 0.0000 0.0000 51892.5030 -109954.5250 298.2269 -161847.0280 -109598.0664 298.8732 16.4726 40.5094 759528.5698 -1.9209 -1.8361 PRESSURE: 174200 47.8775 -41.0731 -36.6141 -41.0737 -109.229 3.50283 -36.6142 3.50318 -47.4521 GPRESSURE: 174200 -25.3391 -170.236 -72.2291 -25.8178 -14.45 -77.0347 -62.4043 55.1049 0.282141 PRESSAVG: 174200 24.7457 -31.95 -24.2184 -31.9501 14.8299 13.6796 -24.2184 13.6796 -4.13441 GPRESSAVG: 174200 24.7048 -34.337 -25.0973 -29.7136 14.5262 10.269 -23.5372 16.1892 -3.73726 TIMING: 174200 CPU: 547.918, 0.00312385/step Wall: 547.918, 0.00312385/step, 4.18753 hours remaining, 232.335938 MB of memory in use. ENERGY: 174200 3931.9357 20382.3200 14452.0733 228.5216 -203885.4959 2738.8523 0.0000 0.0000 51926.0585 -110225.7345 298.4198 -162151.7930 -109858.3063 298.1278 -36.2678 -13.1690 760121.9024 11.8137 11.8312 PRESSURE: 174400 -181.006 -161.123 -14.1199 -161.122 70.8923 213.113 -14.121 213.114 329.613 GPRESSURE: 174400 -102.059 -109.953 50.4528 -264.295 130.181 216.076 51.3536 263.954 281.479 PRESSAVG: 174400 -21.3734 -50.0776 -5.21541 -50.0776 -48.9174 32.3436 -5.2155 32.3435 -8.89784 GPRESSAVG: 174400 -20.6102 -49.0918 -5.7967 -51.57 -48.4383 33.2585 -5.63108 31.2715 -10.3981 TIMING: 174400 CPU: 548.547, 0.00314668/step Wall: 548.547, 0.00314668/step, 4.21795 hours remaining, 232.335938 MB of memory in use. ENERGY: 174400 3969.6217 20479.7185 14461.3684 240.8799 -203839.3521 2815.1529 0.0000 0.0000 51729.4352 -110143.1755 297.2898 -161872.6107 -109782.5120 297.5402 73.1662 103.2006 761051.7308 -26.3962 -26.4822 PRESSURE: 174600 101.792 -21.3398 15.6461 -21.3403 -296.924 218.739 15.6458 218.739 -223.882 GPRESSURE: 174600 78.364 -21.1087 22.3164 -45.3584 -136.756 105.321 53.4732 213.475 -264.642 PRESSAVG: 174600 20.9465 -62.5582 7.91659 -62.5582 -20.7056 9.90502 7.9166 9.90502 -16.697 GPRESSAVG: 174600 20.4114 -62.4083 8.42583 -63.3148 -21.0645 10.662 8.40782 8.89959 -15.4684 TIMING: 174600 CPU: 549.175, 0.00313998/step Wall: 549.175, 0.00313998/step, 4.2088 hours remaining, 232.335938 MB of memory in use. ENERGY: 174600 3945.0712 20332.5179 14422.5111 255.4234 -203668.7731 2605.7365 0.0000 0.0000 52056.2570 -110051.2560 299.1680 -162107.5130 -109688.0503 298.5284 -139.6716 -107.6779 761291.2126 -5.4854 -5.3738 PRESSURE: 174800 -82.5675 -16.9971 38.961 -16.9976 -9.34998 100.579 38.9615 100.579 366.428 GPRESSURE: 174800 -74.7168 -22.8686 -22.9248 51.4423 96.5489 150.472 91.3531 83.3158 346.011 PRESSAVG: 174800 -9.11512 -29.934 -29.5343 -29.9341 1.64394 -63.4496 -29.5343 -63.4497 24.6539 GPRESSAVG: 174800 -10.97 -31.8306 -30.0192 -27.3482 2.91318 -64.0041 -30.9924 -62.4015 25.4395 TIMING: 174800 CPU: 549.801, 0.0031318/step Wall: 549.801, 0.0031318/step, 4.19766 hours remaining, 232.335938 MB of memory in use. ENERGY: 174800 3973.3221 20532.8818 14387.4833 234.9223 -203608.3597 2738.0466 0.0000 0.0000 51823.3409 -109918.3626 297.8295 -161741.7036 -109557.9554 298.4641 91.5035 122.6145 759539.2524 5.7276 5.7942 PRESSURE: 175000 331.667 0.0390984 -111.856 0.0398601 89.7626 -169.648 -111.856 -169.648 -144.332 GPRESSURE: 175000 291.764 -76.1494 -67.6214 9.78195 109.198 -141.77 -113.199 -14.2554 -44.4499 PRESSAVG: 175000 43.6652 -103.35 -20.7157 -103.35 -10.2972 -41.0182 -20.7158 -41.0182 -11.3201 GPRESSAVG: 175000 46.1868 -101.392 -19.1322 -104.475 -11.2888 -40.2949 -21.5446 -41.2087 -13.2218 TIMING: 175000 CPU: 550.427, 0.0031305/step Wall: 550.427, 0.0031305/step, 4.19574 hours remaining, 232.335938 MB of memory in use. ENERGY: 175000 4004.9879 20630.4399 14429.8554 251.4324 -203565.2341 2443.2678 0.0000 0.0000 51722.8600 -110082.3906 297.2520 -161805.2507 -109733.8953 298.0344 92.3660 118.8375 759468.9174 7.3493 7.2254 PRESSURE: 175200 124.544 284.289 -166.124 284.29 -339.144 -118.705 -166.123 -118.704 41.7197 GPRESSURE: 175200 139.425 287.539 -195.295 147.805 -283.23 -113.844 -113.363 -120.806 41.4367 PRESSAVG: 175200 41.1357 -0.0437739 9.52451 -0.0437288 -65.4716 -83.1433 9.52455 -83.1433 27.9336 GPRESSAVG: 175200 39.8205 0.13756 8.75847 -0.0485364 -65.8902 -83.3437 10.7828 -81.6541 29.5326 TIMING: 175200 CPU: 551.057, 0.00315064/step Wall: 551.057, 0.00315064/step, 4.22256 hours remaining, 232.335938 MB of memory in use. ENERGY: 175200 3921.1358 20461.9489 14461.8034 244.5839 -203472.3335 2297.5617 0.0000 0.0000 51917.7840 -110167.5158 298.3722 -162085.2998 -109805.3233 298.1787 -57.6270 -34.1228 759827.1385 1.1992 1.1543 PRESSURE: 175400 -72.0613 -81.0728 89.6608 -81.0735 -335.453 -60.9641 89.6611 -60.9634 241.795 GPRESSURE: 175400 30.4679 -141.874 -51.621 -108.705 -264.126 -18.1676 151.679 -114.468 139.682 PRESSAVG: 175400 -1.05914 -12.3151 3.38271 -12.3151 -27.6353 -61.2466 3.38264 -61.2467 -27.4052 GPRESSAVG: 175400 -1.54636 -15.6964 3.07973 -10.8422 -27.0703 -59.2955 3.86731 -63.6433 -28.0521 TIMING: 175400 CPU: 551.689, 0.003158/step Wall: 551.689, 0.003158/step, 4.23224 hours remaining, 232.335938 MB of memory in use. ENERGY: 175400 3959.5515 20482.9028 14494.5416 248.2584 -203373.9762 2248.6073 0.0000 0.0000 51834.6317 -110105.4829 297.8943 -161940.1146 -109742.3929 298.3768 -55.2398 -31.3253 762122.8124 -18.6999 -18.8896 PRESSURE: 175600 -54.547 2.7229 207.238 2.72297 -11.5166 8.74549 207.238 8.74557 225.089 GPRESSURE: 175600 28.4233 89.707 189.735 -52.2356 -32.5331 -1.65697 77.8611 80.8845 248.991 PRESSAVG: 175600 54.6072 2.32497 25.96 2.32497 -32.384 12.088 25.9599 12.0879 4.65143 GPRESSAVG: 175600 55.5599 4.93981 24.9094 0.396381 -33.6389 9.25387 25.6253 13.1069 4.5665 TIMING: 175600 CPU: 552.319, 0.00314865/step Wall: 552.319, 0.00314865/step, 4.21954 hours remaining, 232.335938 MB of memory in use. ENERGY: 175600 3981.0449 20523.6025 14523.8059 257.0633 -203323.4418 2418.3027 0.0000 0.0000 51659.4317 -109960.1909 296.8875 -161619.6225 -109600.8989 298.0575 53.0083 81.6271 761210.6170 8.9582 8.8292 PRESSURE: 175800 -75.6712 -305.332 -183.074 -305.332 -64.3258 -320.275 -183.074 -320.276 340.573 GPRESSURE: 175800 -8.36731 -324.713 -87.1075 -408.017 -24.4091 -263.109 -114.401 -187.904 329.955 PRESSAVG: 175800 36.5694 -27.6325 47.9383 -27.6325 -55.05 -34.399 47.9383 -34.399 -17.7816 GPRESSAVG: 175800 36.4982 -28.6526 49.3247 -25.2656 -54.9972 -32.3712 46.174 -34.8586 -17.493 TIMING: 175800 CPU: 552.947, 0.00314118/step Wall: 552.947, 0.00314118/step, 4.20935 hours remaining, 232.335938 MB of memory in use. ENERGY: 175800 3984.1243 20383.3204 14552.9526 218.8241 -204007.3280 2951.2364 0.0000 0.0000 51703.2202 -110213.6500 297.1391 -161916.8702 -109831.0995 297.9220 66.8586 99.0596 760124.7822 -12.0874 -11.9973 PRESSURE: 176000 -238.736 -219.421 -118.234 -219.422 -151.773 -127.146 -118.234 -127.145 20.7985 GPRESSURE: 176000 -149.44 -194.439 -149.833 -174.789 -196.919 -138.455 -94.3276 -251.382 52.8776 PRESSAVG: 176000 6.52808 7.45383 83.3593 7.45384 -15.5834 -31.8559 83.3593 -31.8559 -8.63748 GPRESSAVG: 176000 6.18203 8.15806 82.9005 5.16447 -15.8237 -32.5101 87.0311 -31.3541 -7.73198 TIMING: 176000 CPU: 553.573, 0.00313142/step Wall: 553.573, 0.00313143/step, 4.19611 hours remaining, 232.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 176000 3953.3625 20407.0801 14425.8436 248.3609 -203741.5835 2635.3941 0.0000 0.0000 52069.6342 -110001.9082 299.2449 -162071.5424 -109651.6396 298.0223 -123.2369 -97.8270 761327.8386 -5.8976 -5.7912 PRESSURE: 176200 -72.2447 29.7234 -185.963 29.7233 198.749 141.923 -185.962 141.923 -172.852 GPRESSURE: 176200 -30.1775 86.9817 -89.1646 23.6739 254.69 107.455 -321.627 144.782 -185.708 PRESSAVG: 176200 20.3827 -29.4467 -1.59294 -29.4467 -48.5138 10.4393 -1.59301 10.4393 -18.7811 GPRESSAVG: 176200 20.5102 -27.8556 -1.59044 -29.2151 -47.6586 9.94493 -3.16265 9.15333 -20.2285 TIMING: 176200 CPU: 554.202, 0.00314303/step Wall: 554.202, 0.00314303/step, 4.21149 hours remaining, 232.335938 MB of memory in use. ENERGY: 176200 3953.6823 20425.3570 14418.8367 250.9184 -203913.1298 2620.1858 0.0000 0.0000 51976.3890 -110267.7606 298.7090 -162244.1496 -109904.3976 298.0136 -15.4492 12.9347 760768.3456 -15.6374 -15.7923 LDB: ============= START OF LOAD BALANCING ============== 566.598 LDB: ============== END OF LOAD BALANCING =============== 566.598 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 566.6 LDB: ============= START OF LOAD BALANCING ============== 566.913 LDB: Largest compute 7025 load 0.032576 is 16.7% of average load 0.195637 LDB: Average compute 0.004351 is 2.2% of average load 0.195637 LDB: TIME 566.917 LOAD: AVG 0.195637 MAX 0.220947 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.496 MB LDB: TIME 566.917 LOAD: AVG 0.195637 MAX 0.220947 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.566 MB LDB: TIME 566.917 LOAD: AVG 0.195637 MAX 0.220947 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 566.919 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 566.924 PRESSURE: 176400 -141.62 -4.51101 229.408 -4.51167 -15.937 -106.693 229.408 -106.692 -216.239 GPRESSURE: 176400 -170.477 88.5839 248.832 2.5808 54.5162 -47.5578 132.427 -101.796 -177.963 PRESSAVG: 176400 -57.8587 -14.7847 -16.5624 -14.7846 7.0341 -15.7873 -16.5624 -15.7874 13.146 GPRESSAVG: 176400 -57.2125 -15.5625 -16.4125 -13.3952 5.91038 -13.9677 -17.057 -15.7884 13.1426 TIMING: 176400 CPU: 554.841, 0.00319639/step Wall: 554.841, 0.00319639/step, 4.28281 hours remaining, 232.007812 MB of memory in use. ENERGY: 176400 3943.7746 20504.1557 14452.7319 236.4391 -203785.5157 2530.5888 0.0000 0.0000 52070.0589 -110047.7667 299.2473 -162117.8256 -109692.6232 298.1960 -124.5987 -97.9746 760393.1371 -12.5596 -12.7198 PRESSURE: 176600 -93.1578 -24.2218 162.236 -24.2214 -8.37757 41.3434 162.236 41.3427 173.316 GPRESSURE: 176600 -20.9054 135.959 237.083 9.69783 48.1824 131.221 210.34 -41.999 125.133 PRESSAVG: 176600 -42.5955 -49.22 40.4813 -49.22 13.3644 -5.42643 40.4813 -5.42652 -22.5826 GPRESSAVG: 176600 -43.1049 -48.453 41.1085 -49.85 13.6072 -5.786 40.2565 -3.04694 -22.5367 TIMING: 176600 CPU: 555.465, 0.00311991/step Wall: 555.465, 0.00311991/step, 4.18016 hours remaining, 232.558594 MB of memory in use. ENERGY: 176600 3982.2991 20262.8672 14450.3315 227.6462 -203618.3609 2554.9674 0.0000 0.0000 52034.3259 -110105.9236 299.0420 -162140.2495 -109741.4630 297.9490 23.9269 50.8033 760943.6818 -17.2712 -17.3448 PRESSURE: 176800 141.622 -219.163 107.963 -219.163 -19.1273 40.0208 107.964 40.02 -49.7031 GPRESSURE: 176800 209.744 -221.669 157.508 -257.291 21.7874 -30.0882 -31.2325 78.4195 -52.428 PRESSAVG: 176800 -17.6183 -32.424 64.5731 -32.4241 14.9505 37.629 64.5732 37.6289 22.3168 GPRESSAVG: 176800 -17.3598 -33.9408 64.4179 -33.3327 15.4687 35.2028 64.6383 38.1368 21.5289 TIMING: 176800 CPU: 556.091, 0.00312699/step Wall: 556.091, 0.00312699/step, 4.18947 hours remaining, 232.558594 MB of memory in use. ENERGY: 176800 3965.1601 20141.9360 14569.2573 253.3155 -203868.7729 2786.1974 0.0000 0.0000 52180.6730 -109972.2334 299.8830 -162152.9065 -109599.1977 298.1885 24.2638 59.7011 760233.7248 6.5497 6.5459 PRESSURE: 177000 -149.6 132.803 17.1126 132.804 20.3208 89.086 17.1123 89.0867 254.996 GPRESSURE: 177000 -58.7582 107.868 47.0047 20.7278 24.9995 -39.168 68.4344 110.687 249.442 PRESSAVG: 177000 19.5043 -8.78694 -5.27165 -8.78691 -43.3047 28.1316 -5.2716 28.1315 13.3777 GPRESSAVG: 177000 20.6407 -8.16469 -5.81378 -12.9989 -44.2806 27.645 -5.17172 28.9134 13.086 TIMING: 177000 CPU: 556.716, 0.00312666/step Wall: 556.716, 0.00312666/step, 4.18885 hours remaining, 232.558594 MB of memory in use. ENERGY: 177000 4027.2665 20454.2371 14528.3405 244.3115 -203453.7201 2584.0235 0.0000 0.0000 51840.4939 -109775.0472 297.9280 -161615.5411 -109427.2795 298.3041 41.9056 71.8944 759856.7989 -3.4742 -3.5180 PRESSURE: 177200 -38.0474 148.802 -72.6254 148.803 -306.239 138.22 -72.6257 138.221 267.714 GPRESSURE: 177200 -3.89757 139.012 12.9157 221.9 -232.264 48.2522 -46.0827 72.4859 234.097 PRESSAVG: 177200 18.7915 32.0491 -17.036 32.0491 -16.9903 35.4728 -17.036 35.4727 -20.8312 GPRESSAVG: 177200 17.7945 30.7693 -16.4646 35.961 -16.2121 38.0888 -17.9809 32.7209 -20.9328 TIMING: 177200 CPU: 557.341, 0.00312665/step Wall: 557.341, 0.00312665/step, 4.18867 hours remaining, 232.558594 MB of memory in use. ENERGY: 177200 3975.4035 20483.7173 14451.9254 230.0261 -203380.3489 2410.0030 0.0000 0.0000 51929.1589 -109900.1146 298.4376 -161829.2735 -109536.9028 298.8502 -25.5241 -0.6884 759837.1280 -6.3433 -6.4501 PRESSURE: 177400 -314.905 22.8042 8.3327 22.8047 -69.6293 -54.7439 8.33214 -54.7447 -446.541 GPRESSURE: 177400 -287.905 37.2293 -48.6905 -40.0872 -55.1831 -99.5093 28.86 194.998 -437.212 PRESSAVG: 177400 12.1395 20.2428 -59.9593 20.2428 -16.2579 1.13365 -59.9593 1.13369 -3.46439 GPRESSAVG: 177400 12.8852 21.4041 -59.9378 19.075 -16.8338 -0.312584 -58.1154 0.515733 -3.6183 TIMING: 177400 CPU: 557.967, 0.0031281/step Wall: 557.967, 0.0031281/step, 4.19044 hours remaining, 232.558594 MB of memory in use. ENERGY: 177400 3961.5172 20534.9644 14431.6653 258.0535 -203426.0777 2451.2935 0.0000 0.0000 51801.2810 -109987.3028 297.7027 -161788.5838 -109633.3362 298.4827 -277.0251 -260.0999 761418.7411 -2.5276 -2.5223 PRESSURE: 177600 -290.941 -92.8547 -54.3029 -92.8545 103.328 -120.344 -54.3025 -120.343 -78.9086 GPRESSURE: 177600 -236.68 -108.378 7.96977 -76.3078 101.358 5.49172 -43.2842 -36.3316 -48.3747 PRESSAVG: 177600 -22.9142 -15.3491 -10.7215 -15.3491 1.87067 16.6154 -10.7215 16.6154 -23.5735 GPRESSAVG: 177600 -22.3784 -16.1417 -11.2893 -14.0585 0.556225 17.853 -11.5451 19.2407 -22.7798 TIMING: 177600 CPU: 558.595, 0.00313949/step Wall: 558.595, 0.00313949/step, 4.20552 hours remaining, 232.558594 MB of memory in use. ENERGY: 177600 4020.6684 20415.7144 14445.7524 241.7491 -203674.5131 2547.0030 0.0000 0.0000 51926.9517 -110076.6740 298.4249 -162003.6257 -109724.1329 298.0490 -88.8407 -61.2321 760861.5813 -14.8723 -14.8673 PRESSURE: 177800 -156.409 -111.283 219.192 -111.283 -230.892 -76.4815 219.191 -76.4828 -123.074 GPRESSURE: 177800 -128.367 -33.2661 145.723 -236.002 -227.529 -119.691 166.866 -22.3556 -53.1306 PRESSAVG: 177800 -32.2535 -24.8586 3.48051 -24.8586 67.561 4.38686 3.48052 4.38689 14.1486 GPRESSAVG: 177800 -32.2424 -24.3207 3.02874 -25.86 68.2901 3.31343 4.11954 3.19033 13.7872 TIMING: 177800 CPU: 559.222, 0.00313777/step Wall: 559.222, 0.00313777/step, 4.20305 hours remaining, 232.558594 MB of memory in use. ENERGY: 177800 4009.1222 20512.5136 14424.6484 238.3009 -203514.6398 2515.4824 0.0000 0.0000 51854.7303 -109959.8421 298.0098 -161814.5723 -109611.3267 298.6998 -170.1252 -136.3422 760021.5261 16.4854 16.6116 PRESSURE: 178000 50.2438 -275.472 -245.766 -275.471 -181.771 -25.6036 -245.766 -25.603 -265.997 GPRESSURE: 178000 107.686 -344.259 -247.924 -282.783 -198.796 -6.50314 -205.93 67.3802 -235.004 PRESSAVG: 178000 -9.23095 -49.4853 24.1465 -49.4853 29.2554 16.1599 24.1465 16.1599 -13.9934 GPRESSAVG: 178000 -8.80256 -51.1564 24.5093 -48.7137 30.2401 16.4277 22.7331 16.3655 -14.9021 TIMING: 178000 CPU: 559.849, 0.00313267/step Wall: 559.849, 0.00313267/step, 4.19603 hours remaining, 232.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 178000 3901.9781 20379.9753 14341.4870 260.9129 -203586.2012 2701.2259 0.0000 0.0000 51954.7747 -110045.8473 298.5848 -162000.6219 -109692.3616 298.2936 -132.5081 -108.7049 760356.9010 2.0103 2.1785 PRESSURE: 178200 -39.5257 22.9511 168.232 22.9518 -51.2477 59.6442 168.233 59.6447 -266.845 GPRESSURE: 178200 -8.6847 -66.1043 247.009 -24.4888 -18.9275 122.39 90.7407 72.506 -251.303 PRESSAVG: 178200 -50.0133 -95.1077 -30.2008 -95.1077 71.7058 7.83456 -30.2007 7.8346 -5.45981 GPRESSAVG: 178200 -49.5995 -94.0091 -30.2149 -94.4529 70.9957 9.88601 -27.8331 8.2853 -5.09617 TIMING: 178200 CPU: 560.477, 0.00313955/step Wall: 560.477, 0.00313955/step, 4.20507 hours remaining, 232.558594 MB of memory in use. ENERGY: 178200 3977.2367 20423.6448 14461.7498 230.6323 -203557.4252 2497.4411 0.0000 0.0000 52073.3703 -109893.3502 299.2664 -161966.7205 -109531.0393 298.2677 -119.2060 -92.9717 760070.1163 5.4109 5.4334 PRESSURE: 178400 360.714 -114.781 -121.244 -114.781 105.762 341.432 -121.244 341.432 119.371 GPRESSURE: 178400 380.277 -206.182 -102.154 -39.9819 99.4923 263.051 -126.315 323.116 196.243 PRESSAVG: 178400 -62.5572 -16.6702 46.4645 -16.6703 35.258 69.2163 46.4645 69.2163 8.78894 GPRESSAVG: 178400 -63.1402 -16.6353 47.1047 -15.8238 35.1976 66.1203 43.41 69.5788 9.46081 TIMING: 178400 CPU: 561.105, 0.00314197/step Wall: 561.105, 0.00314197/step, 4.20814 hours remaining, 232.558594 MB of memory in use. ENERGY: 178400 3992.7936 20382.3667 14463.3242 255.2835 -203600.3002 2618.5154 0.0000 0.0000 51849.6600 -110038.3568 297.9807 -161888.0168 -109683.3144 298.2122 195.2824 225.3375 758211.9907 -6.1701 -6.1606 PRESSURE: 178600 72.3679 -65.3141 -124.607 -65.3143 -96.9628 62.1231 -124.606 62.1235 -88.8834 GPRESSURE: 178600 115.96 -60.1597 -95.117 -152.389 -53.0841 -75.0029 -197.531 46.8497 -99.6741 PRESSAVG: 178600 -68.6039 -78.3742 -4.54943 -78.3742 69.9561 4.6512 -4.54947 4.65123 29.4154 GPRESSAVG: 178600 -68.539 -79.5065 -5.3441 -77.5299 70.0911 6.38494 -3.87679 2.67254 29.0442 TIMING: 178600 CPU: 561.734, 0.00314457/step Wall: 561.734, 0.00314457/step, 4.21145 hours remaining, 232.558594 MB of memory in use. ENERGY: 178600 4005.8381 20428.5308 14431.3650 256.2188 -203156.6176 2425.1003 0.0000 0.0000 51600.3188 -110009.2458 296.5477 -161609.5646 -109656.1878 297.9830 -37.8261 -12.2662 760368.5546 10.2559 10.1988 PRESSURE: 178800 134.242 53.7527 157.131 53.7525 274.825 197.904 157.13 197.904 33.2371 GPRESSURE: 178800 206.721 121.151 120.831 -90.2085 242.895 192.157 68.481 220.408 86.8353 PRESSAVG: 178800 -39.4081 -66.9298 7.65226 -66.9299 57.2549 -2.28218 7.65236 -2.2822 -0.782782 GPRESSAVG: 178800 -39.7681 -65.5412 8.01074 -69.2417 57.8098 -1.19751 7.54888 -1.96547 -0.399361 TIMING: 178800 CPU: 562.358, 0.00312032/step Wall: 562.358, 0.00312032/step, 4.17881 hours remaining, 232.558594 MB of memory in use. ENERGY: 178800 3987.5481 20404.1028 14514.6019 246.6794 -203793.7394 2716.1173 0.0000 0.0000 52089.5652 -109835.1248 299.3594 -161924.6899 -109467.7374 298.1179 147.4348 178.8171 759564.8673 5.6880 5.8808 PRESSURE: 179000 -61.8289 101.215 109.481 101.216 -48.701 59.736 109.482 59.7358 60.4887 GPRESSURE: 179000 -31.9255 1.48818 256.552 134.525 30.4287 121.239 -16.6609 -62.4675 36.6658 PRESSAVG: 179000 -14.1209 -14.2092 -10.7782 -14.2093 41.5842 1.68469 -10.7782 1.68467 8.03782 GPRESSAVG: 179000 -13.9232 -12.9221 -11.52 -15.6091 42.548 0.611523 -10.3694 4.2034 6.21709 TIMING: 179000 CPU: 562.984, 0.00312768/step Wall: 562.984, 0.00312768/step, 4.18849 hours remaining, 232.558594 MB of memory in use. ENERGY: 179000 4072.6943 20295.7936 14444.9682 234.7867 -203425.7839 2328.6171 0.0000 0.0000 51852.3299 -110196.5942 297.9961 -162048.9240 -109834.6284 298.0040 -16.6804 11.7230 759110.2434 11.8337 11.6139 PRESSURE: 179200 -168.704 126.128 184.037 126.127 252.239 2.83172 184.037 2.83079 120.873 GPRESSURE: 179200 -96.9059 159.371 233.973 226.68 278.791 -13.1451 -19.4276 -50.258 128.647 PRESSAVG: 179200 -54.6352 17.0905 0.926969 17.0904 63.6462 -22.9659 0.926975 -22.9659 28.4294 GPRESSAVG: 179200 -55.5138 15.8356 1.84046 17.637 63.2848 -23.5951 -0.44587 -24.3517 29.3933 TIMING: 179200 CPU: 563.611, 0.00313509/step Wall: 563.611, 0.00313509/step, 4.19823 hours remaining, 232.558594 MB of memory in use. ENERGY: 179200 3971.5970 20461.7123 14399.7313 257.9938 -203242.6133 2308.6599 0.0000 0.0000 51847.4468 -109995.4722 297.9680 -161842.9190 -109642.8296 297.9146 68.1360 103.5107 760098.7562 12.4801 12.3881 PRESSURE: 179400 47.0307 -242.204 155.835 -242.204 50.306 -124.381 155.835 -124.381 292.624 GPRESSURE: 179400 -1.5513 -199.486 90.634 -271.968 203.088 -116.612 160.533 -202.673 280.792 PRESSAVG: 179400 -42.2961 -5.29135 -27.6549 -5.2914 -14.6607 -42.756 -27.6549 -42.756 14.6992 GPRESSAVG: 179400 -40.744 -3.94727 -28.4461 -4.15433 -14.7889 -42.4223 -27.2922 -42.4439 13.4839 TIMING: 179400 CPU: 564.237, 0.0031327/step Wall: 564.237, 0.0031327/step, 4.19486 hours remaining, 232.558594 MB of memory in use. ENERGY: 179400 3985.9545 20478.8258 14449.9154 226.7390 -204041.3304 2638.3604 0.0000 0.0000 52194.2847 -110067.2505 299.9613 -162261.5353 -109707.6591 298.1930 129.9870 160.7762 759596.8074 -14.0859 -14.0163 PRESSURE: 179600 153.795 -65.8062 -215.363 -65.8065 -54.368 -134.252 -215.362 -134.254 398.492 GPRESSURE: 179600 107.209 -149.812 -232.902 -18.4432 76.3315 -100.004 -177.017 -267.828 381.085 PRESSAVG: 179600 -10.9063 -39.6181 -26.6696 -39.6181 -7.21833 -33.8727 -26.6696 -33.8726 -7.76993 GPRESSAVG: 179600 -10.8623 -40.9733 -27.3109 -40.9569 -9.0587 -33.1265 -26.8078 -33.419 -6.4986 TIMING: 179600 CPU: 564.863, 0.00312906/step Wall: 564.863, 0.00312906/step, 4.18981 hours remaining, 232.558594 MB of memory in use. ENERGY: 179600 3986.6878 20300.3823 14527.6821 222.4748 -203970.8469 2936.6982 0.0000 0.0000 51877.1777 -110119.7441 298.1389 -161996.9218 -109758.4247 298.0415 165.9731 188.2087 760014.2559 -8.6315 -8.8065 PRESSURE: 179800 -0.327424 -89.4573 -174.138 -89.4569 -245.898 32.9961 -174.138 32.9968 -55.2171 GPRESSURE: 179800 -50.9911 -11.4463 -59.4305 -73.5455 -183.207 50.6747 -128.654 88.2396 20.6711 PRESSAVG: 179800 7.3484 -66.7697 -5.62706 -66.7697 38.3872 4.53851 -5.62702 4.53851 -4.47179 GPRESSAVG: 179800 5.14039 -67.8399 -5.06521 -63.2785 39.8509 3.79596 -4.20936 3.79808 -4.32989 TIMING: 179800 CPU: 565.491, 0.00314155/step Wall: 565.491, 0.00314155/step, 4.20636 hours remaining, 232.558594 MB of memory in use. ENERGY: 179800 3976.7396 20540.0018 14425.5291 254.5733 -203770.2042 2611.9794 0.0000 0.0000 51886.2629 -110075.1182 298.1911 -161961.3812 -109712.9889 298.0561 -100.4807 -71.1755 759800.9958 13.7546 13.5538 PRESSURE: 180000 31.6185 80.2446 -109.643 80.2441 24.0476 -39.0131 -109.644 -39.0132 -109.92 GPRESSURE: 180000 142.891 -6.33902 -130.386 61.6372 0.581294 -37.2842 -78.4174 27.1165 -114.968 PRESSAVG: 180000 -30.2128 -33.429 10.7355 -33.4291 29.3247 -6.26195 10.7355 -6.26201 -14.2787 GPRESSAVG: 180000 -29.371 -32.6224 9.7786 -35.4525 28.6842 -5.67676 10.3083 -5.57221 -14.3906 TIMING: 180000 CPU: 566.119, 0.00313745/step Wall: 566.119, 0.00313745/step, 4.2007 hours remaining, 232.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 180000 3978.9482 20273.0294 14450.7673 254.4423 -203483.9778 2369.6594 0.0000 0.0000 51928.9074 -110228.2239 298.4361 -162157.1313 -109860.3981 298.6786 -18.0847 9.5014 760624.9724 -5.0556 -5.0258 PRESSURE: 180200 155.767 93.0907 -10.5226 93.0895 -0.94831 160.832 -10.5223 160.833 -237.25 GPRESSURE: 180200 199.254 34.1335 34.8315 86.39 137.276 82.3617 -68.529 82.6691 -316.572 PRESSAVG: 180200 -34.6231 7.43739 -9.69497 7.43727 67.7106 -12.1065 -9.69498 -12.1065 3.37023 GPRESSAVG: 180200 -33.8739 6.27749 -8.16513 9.16209 67.0707 -12.6064 -9.71629 -13.3807 3.77239 TIMING: 180200 CPU: 566.741, 0.00311278/step Wall: 566.741, 0.00311278/step, 4.16749 hours remaining, 232.558594 MB of memory in use. ENERGY: 180200 3961.9747 20394.4494 14448.8116 261.2634 -203561.7284 2483.6375 0.0000 0.0000 51781.1422 -110230.4495 297.5869 -162011.5917 -109870.9665 298.2571 -27.4772 6.6527 760113.9372 12.1526 12.3231 LDB: ============= START OF LOAD BALANCING ============== 579.137 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 579.137 LDB: =============== DONE WITH MIGRATION ================ 579.139 LDB: ============= START OF LOAD BALANCING ============== 579.451 LDB: Largest compute 7075 load 0.033325 is 17.0% of average load 0.195469 LDB: Average compute 0.004373 is 2.2% of average load 0.195469 LDB: TIME 579.455 LOAD: AVG 0.195469 MAX 0.215072 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 579.455 LOAD: AVG 0.195469 MAX 0.215072 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 579.455 LOAD: AVG 0.195469 MAX 0.215072 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 579.457 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 579.463 PRESSURE: 180400 -134.569 -203.089 392.359 -203.087 -124.613 62.7737 392.358 62.7733 6.1527 GPRESSURE: 180400 -177.029 -187.72 264.341 -182.344 -7.11892 92.4034 382.68 102.022 30.5499 PRESSAVG: 180400 -57.5824 -27.3244 29.5178 -27.3244 19.876 -32.8567 29.5178 -32.8568 8.03845 GPRESSAVG: 180400 -59.7965 -26.9813 27.7268 -27.7392 22.3093 -32.0204 31.5236 -32.6766 7.97434 TIMING: 180400 CPU: 567.38, 0.00319178/step Wall: 567.38, 0.00319178/step, 4.27309 hours remaining, 232.007812 MB of memory in use. ENERGY: 180400 4043.8621 20398.2415 14461.0689 234.9961 -203561.3207 2411.2205 0.0000 0.0000 51878.9058 -110133.0258 298.1488 -162011.9316 -109775.2059 298.3316 -84.3431 -51.1994 759546.8148 -9.8893 -9.8376 PRESSURE: 180600 -44.1687 -33.7561 8.60563 -33.7568 151.496 122.973 8.60535 122.973 -106.449 GPRESSURE: 180600 23.1961 -79.5867 62.1311 -6.93338 158.917 134.813 10.5422 110.985 -94.8048 PRESSAVG: 180600 -39.7619 -34.3611 21.8871 -34.3611 -5.21986 54.7221 21.8871 54.7221 -14.902 GPRESSAVG: 180600 -37.3697 -35.7438 23.8105 -34.4664 -7.60143 53.1541 20.2559 54.2799 -14.5811 TIMING: 180600 CPU: 568.007, 0.00313688/step Wall: 568.007, 0.00313689/step, 4.19942 hours remaining, 232.480469 MB of memory in use. ENERGY: 180600 3938.7506 20629.0827 14432.4422 248.6201 -203753.9247 2729.2477 0.0000 0.0000 51826.5578 -109949.2236 297.8479 -161775.7814 -109595.7010 298.3124 0.2925 29.1029 759501.6311 -19.9612 -19.8508 PRESSURE: 180800 -149.869 35.5744 -283.618 35.5745 31.0453 132.62 -283.618 132.621 -40.965 GPRESSURE: 180800 -48.6494 41.6546 -268.819 58.2811 23.9972 3.38041 -312.447 123.358 -56.5247 PRESSAVG: 180800 -66.6407 -14.5442 3.74698 -14.5442 48.6351 74.1199 3.74694 74.1199 20.1462 GPRESSAVG: 180800 -65.9418 -10.5773 2.50108 -16.5496 49.0908 75.1232 4.20651 75.6567 18.7768 TIMING: 180800 CPU: 568.633, 0.00312823/step Wall: 568.633, 0.00312823/step, 4.18766 hours remaining, 232.574219 MB of memory in use. ENERGY: 180800 3997.0859 20427.5025 14498.3297 233.4029 -203823.9303 2576.1504 0.0000 0.0000 52208.8841 -109882.5748 300.0452 -162091.4589 -109509.4818 298.8932 -53.2629 -27.0590 760226.2583 0.7135 0.6419 PRESSURE: 181000 -409.134 -104.51 -3.63711 -104.509 276.004 83.0998 -3.63772 83.0994 -21.3579 GPRESSURE: 181000 -295.435 -259.314 -75.843 -222.642 210.795 -25.6487 37.0754 133.434 4.33589 PRESSAVG: 181000 -115.623 -40.8596 -35.8078 -40.8597 90.5771 26.7693 -35.8078 26.7694 -2.89392 GPRESSAVG: 181000 -116.008 -44.3276 -36.413 -39.9023 90.9936 26.6371 -34.3069 26.4955 -2.58093 TIMING: 181000 CPU: 569.26, 0.00313561/step Wall: 569.26, 0.00313561/step, 4.19736 hours remaining, 232.574219 MB of memory in use. ENERGY: 181000 3972.5160 20685.4495 14458.1319 241.3203 -203672.3308 2586.2113 0.0000 0.0000 51852.1521 -109876.5497 297.9950 -161728.7018 -109511.0588 298.7486 -51.4958 -26.7682 759437.8464 -9.3133 -9.1983 PRESSURE: 181200 246.96 -85.2856 6.5111 -85.2859 -113.871 154.496 6.5118 154.497 -151.192 GPRESSURE: 181200 128.747 48.0165 39.0431 81.7444 28.6044 17.8314 -27.7397 193.346 -104.893 PRESSAVG: 181200 -7.1948 -19.0446 20.061 -19.0446 23.7845 25.5089 20.061 25.509 28.5051 GPRESSAVG: 181200 -8.09559 -17.4525 20.7084 -17.8873 24.0855 26.0842 18.9881 25.0675 29.1551 TIMING: 181200 CPU: 569.886, 0.00313054/step Wall: 569.886, 0.00313054/step, 4.1904 hours remaining, 232.574219 MB of memory in use. ENERGY: 181200 4011.4457 20622.5448 14540.8542 259.2020 -203835.8495 2526.5498 0.0000 0.0000 52010.7723 -109864.4808 298.9066 -161875.2531 -109501.7767 299.1426 -6.0339 17.4859 758012.4078 15.0316 15.0483 PRESSURE: 181400 -183.549 -33.844 237.855 -33.844 -179.858 -22.8598 237.854 -22.8587 -30.265 GPRESSURE: 181400 -193.854 -16.601 247.126 63.703 -90.5513 3.30695 194.695 -38.1484 -31.4899 PRESSAVG: 181400 -41.1439 -45.1909 3.42665 -45.1908 22.7492 48.9807 3.42673 48.9807 -0.941495 GPRESSAVG: 181400 -42.0037 -45.0089 5.00307 -46.7623 23.3717 48.8527 3.8262 50.0148 -0.708666 TIMING: 181400 CPU: 570.513, 0.00313469/step Wall: 570.513, 0.00313469/step, 4.19579 hours remaining, 232.574219 MB of memory in use. ENERGY: 181400 3987.7004 20585.1703 14405.2406 255.4765 -203559.4910 2420.1809 0.0000 0.0000 51831.7773 -110073.9450 297.8779 -161905.7223 -109706.7474 298.5498 -131.2237 -105.2984 759887.6704 -6.4454 -6.4469 PRESSURE: 181600 -89.3579 -298.241 -83.4764 -298.24 -221.789 139.092 -83.4768 139.092 -95.7235 GPRESSURE: 181600 -48.3555 -179.93 -199.92 -378.8 -217.426 211.966 -86.8383 83.4677 -66.6301 PRESSAVG: 181600 9.1487 -51.2806 -20.3379 -51.2805 10.668 65.304 -20.3379 65.304 -14.2167 GPRESSAVG: 181600 9.05496 -52.6528 -23.456 -49.3577 11.1159 64.814 -20.5366 63.4231 -14.4701 TIMING: 181600 CPU: 571.138, 0.00312406/step Wall: 571.138, 0.00312406/step, 4.18138 hours remaining, 232.574219 MB of memory in use. ENERGY: 181600 3993.4245 20691.0523 14485.5440 238.3574 -203605.6822 2474.6719 0.0000 0.0000 51872.1747 -109850.4574 298.1101 -161722.6321 -109502.6527 298.3585 -135.6233 -110.8039 760389.0987 1.8667 1.9003 PRESSURE: 181800 -274.743 -58.5749 171.42 -58.575 57.7086 163.208 171.42 163.209 -191.432 GPRESSURE: 181800 -269.748 -32.7111 149.931 9.94461 80.4754 231.541 153.922 46.2456 -137.686 PRESSAVG: 181800 23.6708 -12.058 -5.303 -12.058 -41.414 35.0131 -5.30305 35.0131 3.44672 GPRESSAVG: 181800 24.1431 -13.5597 -2.67041 -12.3682 -42.9658 36.7883 -5.88343 35.0572 4.12827 TIMING: 181800 CPU: 571.763, 0.00312514/step Wall: 571.763, 0.00312514/step, 4.18265 hours remaining, 232.574219 MB of memory in use. ENERGY: 181800 4039.0886 20562.4739 14417.7611 248.2284 -203449.0954 2558.2163 0.0000 0.0000 51810.8106 -109812.5165 297.7574 -161623.3271 -109456.3284 298.6311 -136.1558 -108.9862 760659.5717 -4.7655 -4.8981 PRESSURE: 182000 -298.243 -50.4975 -268.813 -50.4976 228.403 6.56088 -268.813 6.56023 -100.885 GPRESSURE: 182000 -151.304 -137.995 -293.088 -105.353 243.77 90.8298 -252.75 85.5104 -181.031 PRESSAVG: 182000 -11.8963 -66.7851 38.6446 -66.7852 22.2978 43.5436 38.6445 43.5435 -9.5433 GPRESSAVG: 182000 -10.7684 -64.2793 37.7707 -69.3837 22.8116 43.4752 41.2398 44.2321 -11.0673 TIMING: 182000 CPU: 572.388, 0.00312861/step Wall: 572.388, 0.00312861/step, 4.18713 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 182000 4040.0850 20607.0837 14427.7236 241.8939 -203523.5626 2431.0145 0.0000 0.0000 51946.1341 -109829.6277 298.5351 -161775.7618 -109468.5087 298.7349 -56.9080 -29.5216 760586.0643 0.2861 0.3253 PRESSURE: 182200 -35.3294 159.154 230.867 159.154 -41.1358 152.794 230.866 152.794 -23.6745 GPRESSURE: 182200 16.1764 134.635 185.24 145.909 -48.4141 90.0482 62.7677 -133.265 -5.17358 PRESSAVG: 182200 2.68582 -88.4728 13.3534 -88.4728 30.7431 22.8302 13.3535 22.8301 -22.0295 GPRESSAVG: 182200 1.77881 -89.3774 14.2361 -85.3074 29.6505 20.9598 9.88023 21.5439 -20.3012 TIMING: 182200 CPU: 573.018, 0.0031466/step Wall: 573.018, 0.0031466/step, 4.21103 hours remaining, 232.574219 MB of memory in use. ENERGY: 182200 4024.7609 20587.2354 14477.5002 276.7007 -203650.3983 2511.2731 0.0000 0.0000 51904.7659 -109868.1620 298.2974 -161772.9280 -109508.5339 298.8225 -33.3799 -12.4704 760393.9712 3.7998 3.7094 PRESSURE: 182400 -98.6846 -31.9696 54.4546 -31.969 191.07 14.971 54.4545 14.9715 31.3795 GPRESSURE: 182400 -148.515 -15.3132 119.553 -42.7787 249.524 -137.936 49.2149 87.7232 96.0282 PRESSAVG: 182400 2.01868 -70.5481 -5.66564 -70.5481 4.2727 1.14093 -5.66562 1.14094 21.9818 GPRESSAVG: 182400 0.795036 -71.4219 -4.49443 -70.2215 6.1121 -0.207936 -4.99387 3.50358 20.7195 TIMING: 182400 CPU: 573.648, 0.00315092/step Wall: 573.648, 0.00315092/step, 4.21664 hours remaining, 232.574219 MB of memory in use. ENERGY: 182400 3994.7121 20589.2532 14389.2875 239.4569 -203635.8937 2543.3182 0.0000 0.0000 52092.3979 -109787.4679 299.3757 -161879.8658 -109425.8790 299.2066 41.2550 65.6793 758575.4683 9.4244 9.2089 PRESSURE: 182600 -263.657 93.1615 -146.092 93.1611 -206.823 -216.417 -146.092 -216.418 -222.02 GPRESSURE: 182600 -136.656 117.679 -216.978 21.0974 -268.519 -207.85 -210.047 -133.028 -212.234 PRESSAVG: 182600 -12.2495 -50.3924 45.7032 -50.3924 37.6393 2.88853 45.7031 2.88855 -3.50134 GPRESSAVG: 182600 -10.9788 -50.086 43.7957 -51.7892 36.1409 4.67367 45.4976 4.06131 -2.82804 TIMING: 182600 CPU: 574.282, 0.00317017/step Wall: 574.282, 0.00317017/step, 4.24221 hours remaining, 232.574219 MB of memory in use. ENERGY: 182600 3982.9176 20599.6522 14414.0634 244.1644 -203286.1306 2127.7370 0.0000 0.0000 52156.5092 -109761.0869 299.7442 -161917.5961 -109398.9725 299.3374 -230.8333 -205.8027 761844.0070 7.2962 7.4447 PRESSURE: 182800 -50.5623 -121.303 90.7294 -121.303 245.585 -52.828 90.7296 -52.8268 -28.3405 GPRESSURE: 182800 54.3737 -5.99129 63.4831 -67.3672 250.608 8.98331 164.578 67.6346 -36.4587 PRESSAVG: 182800 -40.885 -52.1557 28.4559 -52.1558 31.837 -4.78684 28.4559 -4.78682 -7.57942 GPRESSAVG: 182800 -41.2317 -52.6612 29.694 -51.9106 32.2913 -4.18719 29.3125 -5.22711 -7.46346 TIMING: 182800 CPU: 574.915, 0.00316381/step Wall: 574.915, 0.00316381/step, 4.23353 hours remaining, 232.574219 MB of memory in use. ENERGY: 182800 3913.6914 20538.6851 14485.1392 238.3091 -203417.8160 2534.5247 0.0000 0.0000 51924.2504 -109783.2162 298.4094 -161707.4666 -109422.7333 299.2983 55.5608 89.5078 760610.5442 -5.5425 -5.4680 PRESSURE: 183000 -54.63 42.8741 -82.5244 42.874 -290.371 55.6944 -82.5247 55.6953 229.111 GPRESSURE: 183000 -79.3916 33.6028 -142.981 14.1711 -233.721 -8.97613 -54.9383 125.832 290.007 PRESSAVG: 183000 -11.6874 -30.9177 -46.535 -30.9177 27.055 19.3034 -46.535 19.3033 8.41608 GPRESSAVG: 183000 -12.4318 -29.4928 -46.2219 -31.7877 27.8459 18.8874 -47.019 19.1298 8.19075 TIMING: 183000 CPU: 575.548, 0.00316769/step Wall: 575.548, 0.00316769/step, 4.23855 hours remaining, 232.574219 MB of memory in use. ENERGY: 183000 4007.9537 20405.2937 14400.9399 256.4571 -203540.2493 2483.3475 0.0000 0.0000 52146.7532 -109839.5042 299.6881 -161986.2573 -109470.7581 298.8356 -38.6300 -7.7019 760538.0968 7.9279 7.8683 PRESSURE: 183200 362.406 117.083 83.1268 117.083 267.285 127.103 83.1279 127.103 287.579 GPRESSURE: 183200 354.364 47.1781 89.0476 134.98 344.935 109.71 126.374 198.293 302.293 PRESSAVG: 183200 9.88569 -11.1336 20.9209 -11.1335 -61.2722 23.33 20.921 23.3299 -16.1221 GPRESSAVG: 183200 9.35257 -12.5414 21.0454 -8.06675 -61.6222 25.2346 21.3444 24.6437 -15.1886 TIMING: 183200 CPU: 576.177, 0.00314209/step Wall: 576.177, 0.00314208/step, 4.20411 hours remaining, 232.574219 MB of memory in use. ENERGY: 183200 3943.4952 20500.0135 14367.9240 258.0092 -203899.1157 2750.5842 0.0000 0.0000 51991.3843 -110087.7053 298.7952 -162079.0896 -109727.2948 298.4023 305.7567 333.8642 758753.5594 -22.5029 -22.4861 PRESSURE: 183400 151.589 -174.98 -139.476 -174.979 197.056 225.515 -139.476 225.515 -194.735 GPRESSURE: 183400 121.354 -172.871 -113.499 -146.855 185.951 134.481 -141.403 46.7289 -98.2655 PRESSAVG: 183400 19.9048 -134.954 -11.9109 -134.954 36.318 32.5067 -11.9109 32.5067 17.6689 GPRESSAVG: 183400 20.7856 -137.683 -12.458 -134.876 35.4735 30.3526 -13.2287 32.0865 17.1282 TIMING: 183400 CPU: 576.809, 0.00315951/step Wall: 576.809, 0.00315951/step, 4.22725 hours remaining, 232.574219 MB of memory in use. ENERGY: 183400 3955.8154 20659.6507 14386.6827 224.4909 -203803.7796 2713.9235 0.0000 0.0000 51895.4193 -109967.7972 298.2437 -161863.2165 -109610.4543 298.5411 51.3033 69.6797 759433.4549 24.6306 24.4625 PRESSURE: 183600 -70.0065 27.569 104.811 27.5688 -94.8405 -303.402 104.811 -303.401 -327.704 GPRESSURE: 183600 9.63558 34.0861 66.6506 70.8509 -55.9138 -263.696 -15.3736 -195.269 -345.191 PRESSAVG: 183600 17.8816 -86.7588 21.2762 -86.7588 -27.2397 26.3448 21.2762 26.3448 0.970442 GPRESSAVG: 183600 18.8383 -83.8083 20.2767 -88.6543 -26.5657 25.6841 23.5154 25.9075 -0.201149 TIMING: 183600 CPU: 577.442, 0.0031663/step Wall: 577.442, 0.0031663/step, 4.23616 hours remaining, 232.574219 MB of memory in use. ENERGY: 183600 4042.9426 20479.0364 14345.3872 250.3239 -203598.5039 2529.3396 0.0000 0.0000 51940.6906 -110010.7837 298.5039 -161951.4743 -109648.1757 298.8590 -164.1837 -130.4897 760143.3190 -2.7959 -2.6428 PRESSURE: 183800 96.4478 -212.154 -287.994 -212.155 71.4026 41.4425 -287.994 41.442 -408.252 GPRESSURE: 183800 26.5383 -267.16 -165.883 -215.054 171.957 60.4017 -163.726 36.8393 -344.386 PRESSAVG: 183800 26.4309 -88.3171 79.7468 -88.317 -39.759 18.9168 79.7468 18.9168 -2.83829 GPRESSAVG: 183800 24.6606 -88.1148 81.7829 -88.7093 -39.7051 21.1751 79.7762 16.5591 -1.15764 TIMING: 183800 CPU: 578.072, 0.00315212/step Wall: 578.072, 0.00315212/step, 4.21701 hours remaining, 232.574219 MB of memory in use. ENERGY: 183800 4012.8675 20443.7538 14465.3984 252.0390 -203286.0210 2240.8878 0.0000 0.0000 51968.0888 -109902.9858 298.6613 -161871.0746 -109538.8082 298.4043 -80.1339 -48.6304 759165.1910 -5.3888 -5.4007 PRESSURE: 184000 -168.712 -174.778 150.684 -174.778 -29.3627 16.3848 150.684 16.3856 -397.394 GPRESSURE: 184000 -102.082 -167.931 124.909 -199.358 -23.8487 29.8742 -27.2123 -82.7819 -384.319 PRESSAVG: 184000 -45.7249 -63.6019 -15.96 -63.6019 64.3731 35.5255 -15.96 35.5256 13.9705 GPRESSAVG: 184000 -45.374 -62.6788 -16.5666 -62.1725 63.9097 32.7406 -15.3219 36.5938 13.4868 TIMING: 184000 CPU: 578.699, 0.00313595/step Wall: 578.699, 0.00313595/step, 4.1952 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 184000 4073.8276 20549.0414 14403.2061 244.6027 -203698.5713 2298.5357 0.0000 0.0000 51967.5910 -110161.7669 298.6585 -162129.3579 -109797.2731 298.3051 -198.4895 -170.0832 760972.7967 10.8729 10.6742 PRESSURE: 184200 213.667 101.369 54.2812 101.369 -477.641 -123.916 54.2811 -123.914 -417.269 GPRESSURE: 184200 187.863 77.8693 93.4487 101.275 -375.191 -128.684 81.2704 -166.682 -392.668 PRESSAVG: 184200 -14.8597 -42.1911 74.4989 -42.191 3.35333 -6.81263 74.4989 -6.81259 13.5493 GPRESSAVG: 184200 -14.8371 -41.2519 74.1656 -42.9382 4.57617 -5.67587 71.6614 -6.6132 12.2603 TIMING: 184200 CPU: 579.328, 0.00314142/step Wall: 579.328, 0.00314142/step, 4.20234 hours remaining, 232.574219 MB of memory in use. ENERGY: 184200 3977.5052 20515.3288 14433.4561 239.8666 -203693.7850 2518.6760 0.0000 0.0000 51862.3499 -110146.6025 298.0536 -162008.9523 -109795.8847 298.2931 -227.0811 -193.3320 761971.0101 0.6810 0.6665 LDB: ============= START OF LOAD BALANCING ============== 591.727 LDB: ============== END OF LOAD BALANCING =============== 591.727 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 591.728 LDB: ============= START OF LOAD BALANCING ============== 592.042 LDB: Largest compute 7025 load 0.032299 is 16.5% of average load 0.195489 LDB: Average compute 0.004386 is 2.2% of average load 0.195489 LDB: TIME 592.046 LOAD: AVG 0.195489 MAX 0.214183 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.496 MB LDB: TIME 592.046 LOAD: AVG 0.195489 MAX 0.214183 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: TIME 592.047 LOAD: AVG 0.195489 MAX 0.214183 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.496 MB LDB: ============== END OF LOAD BALANCING =============== 592.049 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 592.053 PRESSURE: 184400 -394.279 77.4646 -126.589 77.464 -292.354 26.1496 -126.589 26.1504 490.439 GPRESSURE: 184400 -377.232 116.707 -108.486 71.7375 -293.167 47.9733 -202.961 31.1253 538.701 PRESSAVG: 184400 16.3418 -43.9142 7.34454 -43.9142 -60.1779 18.7782 7.34452 18.7782 5.01369 GPRESSAVG: 184400 17.5435 -46.6482 7.08924 -41.7795 -62.2602 18.98 9.02692 19.0722 5.81585 TIMING: 184400 CPU: 579.971, 0.00321511/step Wall: 579.971, 0.00321511/step, 4.30075 hours remaining, 232.519531 MB of memory in use. ENERGY: 184400 3962.3707 20505.3185 14382.1196 243.4129 -203642.3936 2479.6876 0.0000 0.0000 51831.5516 -110237.9327 297.8766 -162069.4843 -109880.7325 298.4619 -65.3977 -43.8993 761301.1061 -12.9408 -12.9670 PRESSURE: 184600 -88.5805 -10.6549 -174.225 -10.6539 -328.597 154.384 -174.226 154.384 252.801 GPRESSURE: 184600 -28.5423 -47.8534 -73.1633 39.8518 -315.566 121.732 -103.996 235.865 249.196 PRESSAVG: 184600 6.97309 -42.0357 21.7155 -42.0357 -29.6195 31.4232 21.7154 31.4231 16.9675 GPRESSAVG: 184600 5.44268 -40.9103 20.923 -43.8547 -27.9983 31.0125 20.879 31.3842 16.5052 TIMING: 184600 CPU: 580.601, 0.00315115/step Wall: 580.601, 0.00315115/step, 4.21501 hours remaining, 232.757812 MB of memory in use. ENERGY: 184600 4005.1711 20531.8734 14328.0785 226.6190 -203725.9473 2537.6536 0.0000 0.0000 51810.8381 -110285.7136 297.7576 -162096.5517 -109919.5559 297.9715 -54.7924 -31.6372 761829.6993 -1.8930 -2.0168 PRESSURE: 184800 91.5961 121.03 -235.488 121.03 557.12 -38.6119 -235.487 -38.613 224.931 GPRESSURE: 184800 163.993 85.2565 -341.285 96.6542 634.443 14.3005 -134.843 -58.7817 168.061 PRESSAVG: 184800 26.7268 -33.3738 -29.0058 -33.3738 -23.1162 42.7614 -29.0057 42.7614 10.9397 GPRESSAVG: 184800 27.7403 -34.7486 -29.0982 -32.0439 -23.2525 43.6967 -25.5934 42.7962 10.6681 TIMING: 184800 CPU: 581.23, 0.0031426/step Wall: 581.23, 0.0031426/step, 4.20341 hours remaining, 232.757812 MB of memory in use. ENERGY: 184800 3872.8176 20382.2016 14406.3128 266.0241 -203922.1085 2929.9104 0.0000 0.0000 51619.4804 -110445.3615 296.6579 -162064.8419 -110086.8289 297.0058 291.2155 322.1655 760970.4788 4.8501 5.0520 PRESSURE: 185000 255.82 -9.12007 50.232 -9.11972 35.7858 -17.8396 50.2318 -17.8396 182.146 GPRESSURE: 185000 186.814 108.314 31.4686 -8.42443 150.189 -47.8804 5.4008 22.0886 216.548 PRESSAVG: 185000 35.8955 17.5797 5.90737 17.5796 -31.0868 35.6213 5.90747 35.6213 -0.0573071 GPRESSAVG: 185000 35.0202 18.0021 5.95827 17.3253 -31.6284 34.3228 3.0253 36.7464 1.23656 TIMING: 185000 CPU: 581.857, 0.00313971/step Wall: 581.857, 0.00313971/step, 4.19936 hours remaining, 232.757812 MB of memory in use. ENERGY: 185000 3979.1423 20414.7968 14453.7058 255.4026 -203957.3810 2872.8190 0.0000 0.0000 51794.2383 -110187.2762 297.6622 -161981.5145 -109828.1420 297.9352 157.9170 184.5170 760751.5079 1.5838 1.5428 PRESSURE: 185200 121.864 53.1751 94.6938 53.1755 -5.0115 -89.4642 94.6946 -89.4635 -1.26323 GPRESSURE: 185200 129.094 40.082 131.869 55.3286 12.1413 -38.8286 140.088 -121.703 56.7689 PRESSAVG: 185200 -44.2706 31.7329 19.3447 31.7329 40.5586 -37.4629 19.3447 -37.4629 20.054 GPRESSAVG: 185200 -44.0017 31.4084 18.8513 30.7017 39.6894 -37.1379 20.2757 -36.6774 20.1562 TIMING: 185200 CPU: 582.484, 0.00313119/step Wall: 582.484, 0.00313119/step, 4.18779 hours remaining, 232.960938 MB of memory in use. ENERGY: 185200 3964.8608 20519.2942 14391.9105 238.7609 -203628.1555 2647.1731 0.0000 0.0000 51912.5180 -109953.6381 298.3420 -161866.1561 -109589.7266 298.2592 38.5297 66.0014 760540.4129 5.4473 5.2813 PRESSURE: 185400 -268.579 85.5435 -179.607 85.5438 50.9458 160.315 -179.607 160.316 68.8584 GPRESSURE: 185400 -176.046 156.82 -106.334 -2.29804 62.4434 110.861 -155.933 82.8163 63.5472 PRESSAVG: 185400 -71.0717 -50.1676 1.4349 -50.1676 40.2315 44.6881 1.43484 44.6881 5.93142 GPRESSAVG: 185400 -71.7442 -48.2676 2.63885 -49.285 41.7688 46.2603 1.21183 40.8581 4.78304 TIMING: 185400 CPU: 583.11, 0.00313349/step Wall: 583.11, 0.00313349/step, 4.19069 hours remaining, 232.960938 MB of memory in use. ENERGY: 185400 3923.3939 20407.5468 14431.7513 254.5703 -203769.0623 2682.6509 0.0000 0.0000 52168.0957 -109901.0533 299.8108 -162069.1490 -109534.5813 299.0063 -49.5918 -16.6853 760282.5338 -8.3029 -8.3975 PRESSURE: 185600 2.56583 -247.624 84.5603 -247.624 -294.496 136.097 84.561 136.097 -503.318 GPRESSURE: 185600 74.4965 -188.132 57.1082 -231.971 -311.124 79.0725 -100.286 125.286 -474.658 PRESSAVG: 185600 -48.2642 -35.4199 44.5612 -35.4199 17.8982 -36.6412 44.5612 -36.6413 14.526 GPRESSAVG: 185600 -48.1949 -36.8114 43.5548 -35.8553 16.5899 -37.0766 43.0551 -33.533 15.8758 TIMING: 185600 CPU: 583.734, 0.00311978/step Wall: 583.734, 0.00311978/step, 4.17219 hours remaining, 232.960938 MB of memory in use. ENERGY: 185600 3972.4523 20630.7910 14457.1293 237.4306 -203547.5964 2510.4093 0.0000 0.0000 51955.3299 -109784.0539 298.5880 -161739.3838 -109420.2839 298.6177 -265.0828 -237.0951 760817.6174 -5.2800 -5.2431 PRESSURE: 185800 -42.8463 -32.5747 132.795 -32.5734 -53.582 -133.869 132.795 -133.87 269.542 GPRESSURE: 185800 -65.6951 -133.969 114.839 39.4613 13.5161 -183.011 189.7 -222.433 308.541 PRESSAVG: 185800 15.4369 -34.9888 5.15298 -34.9888 31.1452 -10.9885 5.15294 -10.9885 -35.4835 GPRESSAVG: 185800 15.0239 -34.4222 5.70466 -35.131 33.2381 -11.347 6.64753 -10.5123 -37.2599 TIMING: 185800 CPU: 584.361, 0.0031338/step Wall: 584.361, 0.0031338/step, 4.19077 hours remaining, 232.960938 MB of memory in use. ENERGY: 185800 4047.1438 20534.8533 14424.6688 240.2295 -203480.6192 2396.9280 0.0000 0.0000 52135.9299 -109700.8660 299.6259 -161836.7959 -109342.9901 299.2413 57.7045 85.4541 759825.0650 3.6996 3.6674 PRESSURE: 186000 -395.88 26.123 -17.4727 26.1233 106.539 -345.654 -17.4722 -345.654 -308.483 GPRESSURE: 186000 -333.574 -41.1459 -144.855 1.59774 72.2431 -256.213 -37.4701 -174.612 -250.94 PRESSAVG: 186000 -86.0235 34.8661 83.712 34.8662 59.5377 48.5769 83.712 48.5769 -7.49632 GPRESSAVG: 186000 -86.0919 33.1887 83.8897 36.1543 58.6991 47.804 83.4396 47.288 -7.51916 TIMING: 186000 CPU: 584.99, 0.00314434/step Wall: 584.99, 0.00314434/step, 4.20469 hours remaining, 232.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 186000 4009.0426 20492.4018 14417.9815 235.4165 -203170.5386 2206.6413 0.0000 0.0000 52046.8829 -109762.1721 299.1142 -161809.0551 -109392.6974 299.2368 -199.2747 -170.7568 760458.9584 -11.3274 -11.6373 PRESSURE: 186200 -263.049 -72.1716 203.847 -72.1717 -205.118 43.8915 203.846 43.892 -21.4084 GPRESSURE: 186200 -274.95 -61.269 251.396 -40.9879 -108.059 91.0731 89.8618 -109.366 -4.72455 PRESSAVG: 186200 -53.2311 -31.9419 9.3604 -31.9419 53.8806 -7.13119 9.36036 -7.13119 -7.6585 GPRESSAVG: 186200 -52.1005 -31.2977 9.66396 -33.3381 52.1125 -4.9959 8.87735 -9.65397 -7.23433 TIMING: 186200 CPU: 585.616, 0.00313168/step Wall: 585.616, 0.00313168/step, 4.18758 hours remaining, 232.960938 MB of memory in use. ENERGY: 186200 4047.4903 20314.5978 14445.9554 236.5759 -203094.3852 2341.2299 0.0000 0.0000 51849.4330 -109859.1029 297.9794 -161708.5360 -109508.1567 298.9100 -163.1920 -129.2445 759841.8047 -2.3363 -2.4074 PRESSURE: 186400 -461.036 36.614 -74.7007 36.6141 -226.995 29.2848 -74.7017 29.2842 -380.596 GPRESSURE: 186400 -374.457 50.2852 -143.553 97.8441 -169.906 86.7624 114.894 55.3663 -423.072 PRESSAVG: 186400 -54.7256 -18.0891 21.5242 -18.0891 20.5554 -27.9441 21.5242 -27.9441 -25.252 GPRESSAVG: 186400 -56.4428 -17.8075 21.0449 -18.3488 21.5357 -28.9364 22.0338 -25.0675 -24.5037 TIMING: 186400 CPU: 586.246, 0.00314866/step Wall: 586.246, 0.00314866/step, 4.21011 hours remaining, 232.960938 MB of memory in use. ENERGY: 186400 4086.1930 20530.0232 14422.8382 252.7854 -203242.1808 2264.6567 0.0000 0.0000 51771.7744 -109913.9098 297.5331 -161685.6843 -109549.4269 298.4022 -356.2091 -322.4783 759643.5882 -19.8074 -19.8036 PRESSURE: 186600 -268.942 -59.9415 -252.134 -59.942 115.47 65.915 -252.133 65.9142 115.871 GPRESSURE: 186600 -188.399 -19.7761 -228.199 -18.2338 140.21 20.0664 -183.404 54.9803 125.78 PRESSAVG: 186600 -10.2949 24.7889 8.96665 24.7889 24.0237 18.6284 8.96662 18.6285 22.2732 GPRESSAVG: 186600 -9.22889 24.6832 10.3192 23.4151 23.6393 16.1257 8.82335 19.8165 21.6762 TIMING: 186600 CPU: 586.875, 0.00314651/step Wall: 586.875, 0.00314651/step, 4.20706 hours remaining, 232.960938 MB of memory in use. ENERGY: 186600 3931.4836 20483.3002 14427.5459 247.5346 -203357.7308 2388.5600 0.0000 0.0000 51944.1899 -109935.1166 298.5240 -161879.3065 -109577.5303 298.6325 -12.5337 25.8634 759496.9276 12.0007 12.0289 PRESSURE: 186800 274.932 56.5473 -14.4249 56.5481 236.291 -112.482 -14.4244 -112.482 -52.7197 GPRESSURE: 186800 253.228 -36.9106 15.506 58.5865 270.923 -125.034 -63.287 -146.984 25.7709 PRESSAVG: 186800 1.6721 -29.2656 -16.9442 -29.2656 -8.63264 7.29988 -16.9442 7.29989 -8.89119 GPRESSAVG: 186800 0.873386 -31.6217 -17.376 -27.7019 -8.88113 9.2031 -14.9391 5.81218 -7.53675 TIMING: 186800 CPU: 587.504, 0.00314382/step Wall: 587.504, 0.00314382/step, 4.20329 hours remaining, 232.960938 MB of memory in use. ENERGY: 186800 3935.7690 20507.1370 14462.4203 256.1906 -203703.5090 2724.4609 0.0000 0.0000 51962.9352 -109854.5960 298.6317 -161817.5312 -109492.8504 299.1819 152.8342 183.3072 760225.8846 -5.2839 -5.1815 PRESSURE: 187000 -548.086 -81.4597 -33.3148 -81.4595 -246.777 -87.5513 -33.3147 -87.5519 -365.004 GPRESSURE: 187000 -472.893 49.3536 -64.6272 -103.023 -246.586 -103.051 1.56201 9.63455 -327.27 PRESSAVG: 187000 12.9493 -25.208 -26.0637 -25.208 -0.945604 42.7012 -26.0636 42.7012 -3.8077 GPRESSAVG: 187000 12.6584 -22.7139 -25.3177 -25.3566 0.113694 40.411 -25.1229 44.3814 -4.70828 TIMING: 187000 CPU: 588.132, 0.00314098/step Wall: 588.132, 0.00314098/step, 4.19931 hours remaining, 232.960938 MB of memory in use. ENERGY: 187000 4072.2170 20390.1016 14429.1231 265.0275 -203104.3613 2368.2241 0.0000 0.0000 51936.9493 -109642.7188 298.4824 -161579.6681 -109280.9967 298.8532 -386.6227 -348.9161 763705.1611 2.7320 2.6879 PRESSURE: 187200 -54.521 -166.929 149.825 -166.929 26.5843 -47.66 149.826 -47.6596 435.817 GPRESSURE: 187200 -30.7966 -59.8849 38.6473 -212.031 140.634 27.7039 76.4736 -12.7532 383.517 PRESSAVG: 187200 16.5131 -11.7463 -50.4258 -11.7463 -26.3852 18.2263 -50.4258 18.2264 3.36247 GPRESSAVG: 187200 15.843 -14.7275 -51.8422 -8.72301 -25.5421 21.2631 -51.5846 17.142 3.46516 TIMING: 187200 CPU: 588.759, 0.00313486/step Wall: 588.759, 0.00313486/step, 4.19096 hours remaining, 232.960938 MB of memory in use. ENERGY: 187200 4049.0732 20510.3278 14454.3490 218.6724 -203786.8849 2821.3323 0.0000 0.0000 52155.1992 -109577.9309 299.7366 -161733.1301 -109226.2851 299.3554 135.9599 164.4517 761510.1365 -2.1699 -2.0780 PRESSURE: 187400 -183.561 -45.1174 -63.4443 -45.1169 -489.655 25.4331 -63.4453 25.4338 -40.4128 GPRESSURE: 187400 -189.187 -41.478 -43.9431 -36.2876 -386.433 -26.5635 -18.7905 26.7832 -51.0529 PRESSAVG: 187400 4.2152 -44.2789 -13.3138 -44.2788 -21.3921 -22.527 -13.3138 -22.527 24.5427 GPRESSAVG: 187400 4.22447 -42.5213 -14.1992 -48.5553 -21.3836 -22.2481 -15.0921 -24.2023 23.8184 TIMING: 187400 CPU: 589.387, 0.0031371/step Wall: 589.387, 0.0031371/step, 4.19378 hours remaining, 232.960938 MB of memory in use. ENERGY: 187400 3978.8183 20685.6403 14513.2133 267.4093 -203335.4758 2454.0123 0.0000 0.0000 51934.4747 -109501.9076 298.4681 -161436.3823 -109148.2358 299.8886 -237.8762 -208.8911 761816.6455 2.4553 2.2198 PRESSURE: 187600 -25.0957 194.03 59.1051 194.029 -197.594 101.973 59.1055 101.972 24.3839 GPRESSURE: 187600 -22.9525 205.706 -108.126 232.536 -126.197 52.2069 -59.6287 7.39351 60.7254 PRESSAVG: 187600 -7.82683 -53.004 0.0927388 -53.0039 -4.52861 25.176 0.0927876 25.1761 -14.5805 GPRESSAVG: 187600 -6.38515 -52.5946 2.25669 -51.7076 -6.06897 24.0264 1.16122 26.047 -14.1232 TIMING: 187600 CPU: 590.018, 0.00315778/step Wall: 590.018, 0.00315778/step, 4.22125 hours remaining, 232.960938 MB of memory in use. ENERGY: 187600 3962.6213 20724.8116 14405.2020 260.9576 -203383.3392 2477.2000 0.0000 0.0000 52089.0499 -109463.4968 299.3565 -161552.5467 -109105.3947 299.4475 -66.1018 -29.4748 760514.0263 -8.9786 -8.8591 PRESSURE: 187800 27.5142 124.969 95.6532 124.969 3.70261 295.871 95.6542 295.871 15.33 GPRESSURE: 187800 50.1828 71.7547 112.026 84.6176 69.2561 220.613 17.0539 254.987 5.08545 PRESSAVG: 187800 -42.1272 -9.78695 20.9318 -9.78693 85.7087 9.75347 20.9317 9.75345 -2.55517 GPRESSAVG: 187800 -42.1052 -10.2954 21.3462 -7.96461 84.2301 9.23776 19.1114 9.55156 -1.68544 TIMING: 187800 CPU: 590.649, 0.00315521/step Wall: 590.649, 0.00315521/step, 4.21764 hours remaining, 232.960938 MB of memory in use. ENERGY: 187800 3993.9578 20671.8141 14343.5918 256.8522 -203863.5953 2915.8845 0.0000 0.0000 51891.9892 -109789.5057 298.2240 -161681.4949 -109432.4822 299.2597 15.5156 41.5081 761605.9575 13.6754 13.4798 PRESSURE: 188000 -193.123 -60.1442 -73.7738 -60.1445 49.3031 -181.312 -73.7742 -181.312 -74.038 GPRESSURE: 188000 -146.408 -15.6558 -97.4591 8.32053 91.5998 -106.262 -56.6561 -153.613 -89.6161 PRESSAVG: 188000 21.5261 -51.2991 13.3202 -51.2991 -35.3071 -13.7336 13.3202 -13.7336 1.43519 GPRESSAVG: 188000 21.3724 -51.4195 13.1313 -50.4704 -34.1778 -11.495 14.1321 -14.6004 0.19088 TIMING: 188000 CPU: 591.282, 0.00316232/step Wall: 591.282, 0.00316232/step, 4.22697 hours remaining, 232.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 188000 3941.8982 20469.6748 14489.6130 236.6206 -203647.9333 2440.8260 0.0000 0.0000 52395.5173 -109673.7834 301.1178 -162069.3008 -109307.8053 299.4652 -72.6191 -48.1413 759844.6322 -4.1153 -4.2048 PRESSURE: 188200 -76.6087 -174.871 218.328 -174.871 -222.631 -151.03 218.327 -151.031 54.8133 GPRESSURE: 188200 -27.8866 -209.289 64.5959 -162.443 -158.904 -242.699 163.34 -166.911 34.9642 PRESSAVG: 188200 -37.535 -30.6221 -49.2938 -30.6221 42.4197 36.9195 -49.2938 36.9196 -10.8696 GPRESSAVG: 188200 -38.2001 -31.0622 -52.3248 -32.7236 43.6852 34.6864 -47.2967 39.4057 -11.7847 TIMING: 188200 CPU: 591.912, 0.00315231/step Wall: 591.912, 0.00315231/step, 4.21341 hours remaining, 232.960938 MB of memory in use. ENERGY: 188200 3959.2463 20597.8949 14494.9247 242.2906 -203785.2798 2502.5157 0.0000 0.0000 52198.3781 -109790.0293 299.9848 -161988.4075 -109418.5596 299.3018 -81.4756 -50.6087 759564.9129 -1.9950 -2.0999 LDB: ============= START OF LOAD BALANCING ============== 604.309 LDB: ============== END OF LOAD BALANCING =============== 604.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 604.311 LDB: ============= START OF LOAD BALANCING ============== 604.624 LDB: Largest compute 7026 load 0.032177 is 16.4% of average load 0.195607 LDB: Average compute 0.004376 is 2.2% of average load 0.195607 LDB: TIME 604.628 LOAD: AVG 0.195607 MAX 0.218874 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.551 MB LDB: TIME 604.629 LOAD: AVG 0.195607 MAX 0.218874 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.621 MB LDB: TIME 604.629 LOAD: AVG 0.195607 MAX 0.216736 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.621 MB LDB: ============== END OF LOAD BALANCING =============== 604.631 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 604.636 PRESSURE: 188400 -96.5207 106.375 -105.349 106.376 337.67 89.2735 -105.348 89.2726 181.029 GPRESSURE: 188400 -82.1037 79.403 -143.273 109.719 315.113 93.5591 -4.69641 41.4652 258.706 PRESSAVG: 188400 -70.273 -23.0786 9.78528 -23.0785 32.2377 -9.87532 9.78529 -9.87534 -20.1279 GPRESSAVG: 188400 -70.155 -23.5202 12.9136 -22.6675 30.508 -10.7938 7.10704 -11.3361 -18.4296 TIMING: 188400 CPU: 592.554, 0.00320745/step Wall: 592.554, 0.00320745/step, 4.28693 hours remaining, 231.496094 MB of memory in use. ENERGY: 188400 3962.5217 20532.9281 14426.6808 233.8516 -203885.4744 2671.9732 0.0000 0.0000 52183.3314 -109874.1875 299.8983 -162057.5190 -109505.7011 299.1355 140.7260 163.9052 758195.1538 -19.3877 -19.3589 PRESSURE: 188600 -158.475 134.741 -95.283 134.741 158.891 19.1549 -95.2829 19.1544 -68.338 GPRESSURE: 188600 -42.6755 202.289 -81.9127 105.408 94.7419 -21.1533 43.3947 6.03356 -57.8981 PRESSAVG: 188600 -43.3897 55.8733 13.6347 55.8733 33.1135 -17.8691 13.6347 -17.8692 -10.0999 GPRESSAVG: 188600 -43.9277 59.4745 12.1777 54.8638 33.5605 -18.1209 14.1819 -18.0482 -10.0146 TIMING: 188600 CPU: 593.18, 0.00312998/step Wall: 593.18, 0.00312998/step, 4.18321 hours remaining, 231.699219 MB of memory in use. ENERGY: 188600 4021.9450 20557.0525 14430.4495 243.6735 -203499.2923 2467.7436 0.0000 0.0000 51833.5402 -109944.8880 297.8881 -161778.4282 -109597.8733 299.0825 -22.6408 -1.9439 760112.8023 -6.7920 -6.7939 PRESSURE: 188800 48.3855 249.968 123.553 249.968 105.527 -266.636 123.554 -266.636 -222.783 GPRESSURE: 188800 -19.8514 111.841 131.947 184.77 210.713 -255.199 38.1784 -283.637 -186.873 PRESSAVG: 188800 -41.8662 2.45994 -27.4743 2.45989 46.666 -37.643 -27.4743 -37.643 16.5003 GPRESSAVG: 188800 -41.5236 0.523689 -26.7784 2.6437 47.1154 -35.481 -27.2859 -39.034 15.5654 TIMING: 188800 CPU: 593.808, 0.00314307/step Wall: 593.808, 0.00314307/step, 4.20054 hours remaining, 231.699219 MB of memory in use. ENERGY: 188800 4034.2606 20540.5868 14442.0322 244.0986 -203680.0958 2614.9664 0.0000 0.0000 51907.7860 -109896.3651 298.3148 -161804.1511 -109539.6332 298.7859 -22.9568 1.3294 761125.3523 7.1000 7.0524 PRESSURE: 189000 -92.4546 -196.626 -28.8284 -196.625 287.816 -114.002 -28.8299 -114 -342.904 GPRESSURE: 189000 64.9564 -104.231 -15.3153 -64.3828 203.529 -99.0359 -137.951 -43.9335 -332.803 PRESSAVG: 189000 5.9011 -14.7865 30.6454 -14.7865 72.6321 24.2929 30.6454 24.2929 5.57394 GPRESSAVG: 189000 6.11609 -15.8988 29.6444 -16.0548 71.7668 22.296 30.0991 26.781 6.6872 TIMING: 189000 CPU: 594.434, 0.00313048/step Wall: 594.434, 0.00313048/step, 4.18355 hours remaining, 231.699219 MB of memory in use. ENERGY: 189000 3982.5883 20447.8059 14459.1575 242.7113 -203354.9460 2444.8548 0.0000 0.0000 51958.1691 -109819.6591 298.6043 -161777.8282 -109451.9369 298.9527 -49.1808 -21.4395 759928.7386 28.0357 28.1900 PRESSURE: 189200 -306.661 3.78404 97.8603 3.78377 134.244 148.994 97.8601 148.995 -7.97326 GPRESSURE: 189200 -259.245 -7.27937 122.496 111.713 156.281 181.159 -31.6082 92.9115 23.0326 PRESSAVG: 189200 -31.0804 -64.6713 3.85672 -64.6712 29.9781 0.532915 3.8567 0.532878 -7.88262 GPRESSAVG: 189200 -31.0255 -63.5017 6.1661 -63.6527 29.763 0.986941 3.77229 1.08641 -7.02512 TIMING: 189200 CPU: 595.061, 0.00313367/step Wall: 595.061, 0.00313367/step, 4.18762 hours remaining, 231.699219 MB of memory in use. ENERGY: 189200 4013.0304 20630.6347 14356.2906 259.1428 -203130.1556 2201.0760 0.0000 0.0000 51979.5660 -109690.4151 298.7273 -161669.9811 -109344.5195 298.8898 -60.1301 -26.6437 759886.8133 -2.9949 -2.7625 PRESSURE: 189400 286.749 -165.013 23.6656 -165.013 130.785 108.709 23.6661 108.708 -204.174 GPRESSURE: 189400 367.167 -110.945 -86.5108 -221.95 116.804 68.243 89.7729 49.4649 -174.016 PRESSAVG: 189400 52.2816 -7.10166 17.7719 -7.1016 -11.915 27.8753 17.7719 27.8753 20.5217 GPRESSAVG: 189400 53.4206 -6.16691 17.3969 -8.16375 -12.1789 27.5904 16.882 28.7925 20.1644 TIMING: 189400 CPU: 595.692, 0.00315443/step Wall: 595.692, 0.00315443/step, 4.21519 hours remaining, 231.699219 MB of memory in use. ENERGY: 189400 3988.6161 20394.7795 14461.5391 232.5038 -203255.6379 2464.7740 0.0000 0.0000 52207.8294 -109505.5959 300.0391 -161713.4253 -109137.4538 299.2786 71.1199 103.3183 760314.5713 20.2961 20.4687 PRESSURE: 189600 63.9616 -66.6652 -70.0503 -66.665 -353.844 32.0699 -70.0502 32.0693 427.082 GPRESSURE: 189600 142.388 74.4743 -72.2047 -103.349 -329.456 51.1976 -174.8 14.7439 387.269 PRESSAVG: 189600 -2.47792 -17.01 17.1682 -17.01 -14.5929 70.2013 17.1681 70.2013 -11.6 GPRESSAVG: 189600 -2.73917 -18.7532 18.0435 -17.0623 -13.8174 70.3386 16.4158 68.949 -11.9431 TIMING: 189600 CPU: 596.322, 0.00314905/step Wall: 596.322, 0.00314905/step, 4.20783 hours remaining, 231.699219 MB of memory in use. ENERGY: 189600 4020.6160 20672.9743 14392.4514 228.1286 -203366.7817 2404.7165 0.0000 0.0000 52023.0966 -109624.7984 298.9775 -161647.8949 -109260.3126 299.0689 45.7331 66.7336 760086.1663 -9.5569 -9.4999 PRESSURE: 189800 234.41 -123.131 227.736 -123.132 194.463 61.6991 227.735 61.6992 101.595 GPRESSURE: 189800 215.033 -23.4219 195.01 -191.076 249.584 145.448 179.917 151.276 153.527 PRESSAVG: 189800 36.2285 10.3425 22.5947 10.3425 10.6013 5.8147 22.5947 5.81476 17.429 GPRESSAVG: 189800 36.6489 10.1482 21.7175 11.9786 11.5769 5.94741 23.5828 3.5516 15.7855 TIMING: 189800 CPU: 596.948, 0.00313222/step Wall: 596.948, 0.00313222/step, 4.18517 hours remaining, 231.699219 MB of memory in use. ENERGY: 189800 3972.5097 20727.0288 14451.2159 234.7985 -203859.6700 2768.5339 0.0000 0.0000 52180.1078 -109525.4754 299.8798 -161705.5832 -109166.6137 298.9836 176.8227 206.0484 760887.8422 21.4196 21.3371 PRESSURE: 190000 -264.209 209.586 48.9115 209.586 1.24856 -194.976 48.9107 -194.976 -111.407 GPRESSURE: 190000 -189.902 95.9828 -64.7757 287.92 -36.5961 -179.926 48.558 -64.2478 -52.4137 PRESSAVG: 190000 -12.5746 -30.2868 68.2456 -30.2868 73.9347 67.9064 68.2456 67.9065 0.465735 GPRESSAVG: 190000 -13.1661 -29.4723 68.8981 -31.9379 72.8641 68.5537 68.407 67.2736 2.19529 TIMING: 190000 CPU: 597.572, 0.00311694/step Wall: 597.572, 0.00311694/step, 4.16458 hours remaining, 231.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 190000 3951.1725 20554.9922 14407.0712 259.6738 -203454.8251 2438.9754 0.0000 0.0000 52164.6498 -109678.2902 299.7910 -161842.9400 -109305.7286 299.4274 -124.7890 -92.9707 759394.3631 20.6086 20.6311 PRESSURE: 190200 -289.613 -9.40306 -88.5351 -9.40289 -53.9306 -80.831 -88.5351 -80.8297 -380.993 GPRESSURE: 190200 -202.906 -133.045 -213.466 25.0129 -57.0015 -157.189 54.4375 -157.604 -368.818 PRESSAVG: 190200 -24.8887 -32.9725 67.6243 -32.9726 48.2874 9.28831 67.6242 9.28836 7.63384 GPRESSAVG: 190200 -24.7489 -32.9855 67.8128 -29.9984 49.3091 8.5967 69.1005 11.747 6.54588 TIMING: 190200 CPU: 598.201, 0.0031451/step Wall: 598.201, 0.0031451/step, 4.20203 hours remaining, 231.699219 MB of memory in use. ENERGY: 190200 3988.3452 20564.5250 14384.5878 238.4436 -203197.0106 2371.1242 0.0000 0.0000 52078.6314 -109571.3535 299.2966 -161649.9849 -109207.9780 299.2323 -241.5120 -209.5751 761648.2345 10.3442 10.3687 PRESSURE: 190400 228.803 -89.668 -29.088 -89.6677 -159.271 137.28 -29.0888 137.279 389.251 GPRESSURE: 190400 248.274 -86.1427 -36.5483 -176.588 -83.4519 179.053 -0.945038 152.832 387.185 PRESSAVG: 190400 -28.8572 -17.4726 47.7638 -17.4726 59.8412 4.134 47.7638 4.13405 9.78028 GPRESSAVG: 190400 -28.9944 -18.4459 46.7739 -20.8989 59.7826 3.45445 48.72 4.58159 10.2114 TIMING: 190400 CPU: 598.829, 0.00314116/step Wall: 598.829, 0.00314116/step, 4.19659 hours remaining, 231.699219 MB of memory in use. ENERGY: 190400 3977.1560 20464.4281 14399.1699 264.8291 -203082.8523 2492.3106 0.0000 0.0000 52005.2138 -109479.7449 298.8747 -161484.9587 -109114.5030 299.1909 152.9278 184.0024 760378.8906 13.5881 13.6665 PRESSURE: 190600 -468.712 -213.449 -47.9921 -213.448 -333.59 -14.3913 -47.9911 -14.3918 -753.675 GPRESSURE: 190600 -404.047 -89.7403 -102.092 -286.497 -365.27 -81.5137 -85.0929 -1.73252 -707.437 PRESSAVG: 190600 -24.3321 -19.9939 26.0975 -19.994 -6.40432 13.3424 26.0975 13.3424 9.83159 GPRESSAVG: 190600 -25.1831 -18.2456 25.1341 -20.178 -6.43606 12.4396 23.8049 11.6126 11.2142 TIMING: 190600 CPU: 599.459, 0.00315097/step Wall: 599.459, 0.00315097/step, 4.20952 hours remaining, 231.699219 MB of memory in use. ENERGY: 190600 4097.7986 20637.1406 14476.9832 235.1361 -203166.3992 2157.7718 0.0000 0.0000 51955.4809 -109606.0880 298.5889 -161561.5690 -109253.6456 299.5467 -518.6590 -492.2512 762243.8947 -6.9683 -6.8017 PRESSURE: 190800 25.9859 -36.987 101.025 -36.9873 -109.879 -260.776 101.024 -260.776 24.4333 GPRESSURE: 190800 31.7788 29.6084 70.9096 82.2267 46.0163 -201.465 220.207 -210.228 -68.4213 PRESSAVG: 190800 -0.629353 -58.0406 -22.5807 -58.0406 -29.5824 -9.53936 -22.5807 -9.53947 11.9874 GPRESSAVG: 190800 -0.389199 -57.9328 -21.4816 -56.1575 -29.5816 -8.32983 -23.764 -8.34114 10.6414 TIMING: 190800 CPU: 600.085, 0.00313004/step Wall: 600.085, 0.00313004/step, 4.18139 hours remaining, 231.699219 MB of memory in use. ENERGY: 190800 4043.3542 20490.0620 14477.2386 265.4014 -203784.6777 2840.3100 0.0000 0.0000 51967.7044 -109700.6071 298.6591 -161668.3115 -109341.8890 298.5494 -19.8199 3.1246 760736.6668 -6.0748 -6.4431 PRESSURE: 191000 -50.4871 41.3985 48.0862 41.3983 186.437 -77.913 48.086 -77.9119 -206.292 GPRESSURE: 191000 33.8422 43.7123 -4.4069 -13.0907 112.511 93.008 58.5188 -201.088 -127.388 PRESSAVG: 191000 18.5646 44.7078 -9.33275 44.7078 9.09722 -7.6955 -9.33275 -7.69554 -24.457 GPRESSAVG: 191000 19.3536 41.938 -10.9903 44.5731 8.13598 -6.90711 -5.01593 -8.11006 -23.4847 TIMING: 191000 CPU: 600.713, 0.00313862/step Wall: 600.713, 0.00313862/step, 4.19267 hours remaining, 231.699219 MB of memory in use. ENERGY: 191000 4006.1619 20415.3445 14421.3462 247.6759 -203891.3029 2923.0648 0.0000 0.0000 52154.6631 -109723.0465 299.7336 -161877.7096 -109359.1207 299.5212 -23.4474 6.3216 761359.9990 1.0683 1.3350 PRESSURE: 191200 -67.5072 -145.114 -87.0032 -145.115 293.787 -147.043 -87.0036 -147.044 95.4125 GPRESSURE: 191200 10.7764 -172.785 -125.229 -192.734 239.693 -164.205 -168.152 -47.4528 160.913 PRESSAVG: 191200 48.1274 -40.3546 -71.0229 -40.3545 1.43135 -87.4699 -71.0229 -87.4699 0.569912 GPRESSAVG: 191200 48.0178 -36.9626 -70.5234 -40.8551 1.9237 -88.0107 -72.4625 -87.411 -0.00178301 TIMING: 191200 CPU: 601.341, 0.00313966/step Wall: 601.341, 0.00313966/step, 4.19389 hours remaining, 231.699219 MB of memory in use. ENERGY: 191200 3907.0367 20511.7432 14453.8525 246.4805 -203546.2746 2729.9571 0.0000 0.0000 52274.6552 -109422.5492 300.4232 -161697.2045 -109048.4641 299.8366 107.2307 137.1274 761283.8752 16.7095 16.6466 PRESSURE: 191400 223.83 -42.3978 8.37094 -42.3977 157.644 17.1553 8.3701 17.1561 -93.9504 GPRESSURE: 191400 165.909 -132.802 -5.48818 13.0619 206.723 141.815 31.8873 -137.588 5.22949 PRESSAVG: 191400 -3.67 -32.3315 -84.6065 -32.3315 -64.969 -8.89341 -84.6065 -8.89352 3.11432 GPRESSAVG: 191400 -4.16342 -35.4572 -82.6591 -32.5562 -64.3369 -7.85731 -85.8747 -11.2961 2.8222 TIMING: 191400 CPU: 601.969, 0.00313979/step Wall: 601.969, 0.00313979/step, 4.19388 hours remaining, 231.699219 MB of memory in use. ENERGY: 191400 4031.7663 20517.4759 14481.8930 266.0247 -203850.8631 2802.7271 0.0000 0.0000 52217.4048 -109533.5713 300.0941 -161750.9761 -109164.9407 299.6534 95.8411 125.9537 761825.3460 -21.8416 -21.8927 PRESSURE: 191600 -48.7878 322.307 -169.951 322.307 -87.681 -165.231 -169.952 -165.231 -80.4887 GPRESSURE: 191600 27.1305 316.91 -112.36 272.61 -66.3821 -131.862 -212.482 -162.683 -90.456 PRESSAVG: 191600 34.8806 -63.04 -51.2634 -63.04 5.81105 -37.9447 -51.2634 -37.9447 12.4257 GPRESSAVG: 191600 34.7028 -63.2147 -51.2746 -63.1218 6.59999 -39.0865 -49.3784 -37.5985 12.0985 TIMING: 191600 CPU: 602.599, 0.00315218/step Wall: 602.599, 0.00315218/step, 4.21026 hours remaining, 231.699219 MB of memory in use. ENERGY: 191600 4039.9782 20562.8311 14422.2164 238.0903 -203717.1575 2596.3927 0.0000 0.0000 52329.7843 -109527.8645 300.7400 -161857.6488 -109163.9655 299.6289 -72.3192 -43.2359 760032.9375 17.7058 17.8004 PRESSURE: 191800 78.4688 -22.5585 40.8931 -22.5581 88.3716 14.2764 40.8936 14.2767 -214.877 GPRESSURE: 191800 119.292 -147.53 147.186 -98.372 128.114 12.267 -57.3943 -29.0128 -214.047 PRESSAVG: 191800 -2.87178 -11.134 -10.1456 -11.134 -9.0913 -32.6864 -10.1456 -32.6864 -6.56082 GPRESSAVG: 191800 -2.42408 -11.9799 -10.0871 -10.1352 -10.7994 -32.4578 -9.55665 -29.5148 -5.52489 TIMING: 191800 CPU: 603.225, 0.00312752/step Wall: 603.225, 0.00312752/step, 4.17715 hours remaining, 231.699219 MB of memory in use. ENERGY: 191800 4032.1027 20445.8769 14394.9639 270.6106 -203298.8166 2636.0524 0.0000 0.0000 52168.1083 -109351.1018 299.8108 -161519.2102 -108990.8937 299.7550 -16.0121 11.1200 760850.2356 -6.1746 -6.2495 PRESSURE: 192000 -257.686 154.842 149.834 154.842 -63.6457 -63.0309 149.835 -63.0304 -262.029 GPRESSURE: 192000 -160.214 112.24 99.315 187.106 -73.1797 34.043 33.458 -2.58222 -273.286 PRESSAVG: 192000 10.5068 -15.975 52.4599 -15.975 10.1281 -14.9026 52.46 -14.9026 -1.13359 GPRESSAVG: 192000 9.75853 -14.5444 49.7472 -16.2149 10.8775 -13.6763 49.1292 -16.2285 -1.00996 TIMING: 192000 CPU: 603.849, 0.00312234/step Wall: 603.849, 0.00312234/step, 4.17006 hours remaining, 231.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 192000 4045.0237 20575.8120 14342.7645 250.2645 -203391.6388 2594.0017 0.0000 0.0000 52156.8328 -109426.9394 299.7460 -161583.7722 -109067.3460 299.9418 -194.4537 -168.8932 759853.2789 6.5004 6.5420 PRESSURE: 192200 -27.9542 -33.9695 59.5368 -33.9699 -187.566 -83.1524 59.5362 -83.1527 -63.2683 GPRESSURE: 192200 37.8553 18.6667 97.7525 -118.213 -130.173 -39.3764 217.656 -98.4791 -92.5961 PRESSAVG: 192200 -28.0927 -38.5766 -8.90443 -38.5767 -22.4946 -30.1925 -8.9044 -30.1925 15.4572 GPRESSAVG: 192200 -27.35 -38.8057 -8.39591 -39.6132 -23.1421 -32.3795 -5.26656 -30.3793 15.0984 TIMING: 192200 CPU: 604.476, 0.00313355/step Wall: 604.476, 0.00313355/step, 4.18485 hours remaining, 231.699219 MB of memory in use. ENERGY: 192200 4038.7525 20494.0339 14389.9318 240.9913 -202912.6475 2283.9772 0.0000 0.0000 52282.3169 -109182.6439 300.4672 -161464.9609 -108813.5802 299.4798 -92.9295 -61.6380 761679.5786 -11.7100 -11.7979 LDB: ============= START OF LOAD BALANCING ============== 616.87 LDB: ============== END OF LOAD BALANCING =============== 616.871 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 616.872 LDB: ============= START OF LOAD BALANCING ============== 617.185 LDB: Largest compute 7058 load 0.031295 is 16.0% of average load 0.195583 LDB: Average compute 0.004380 is 2.2% of average load 0.195583 LDB: TIME 617.189 LOAD: AVG 0.195583 MAX 0.220145 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.008 MB LDB: TIME 617.189 LOAD: AVG 0.195583 MAX 0.220145 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.008 MB LDB: TIME 617.189 LOAD: AVG 0.195583 MAX 0.220145 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.008 MB LDB: ============== END OF LOAD BALANCING =============== 617.192 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 617.196 PRESSURE: 192400 -166.05 166.546 -161.154 166.547 -156.933 -153.514 -161.154 -153.514 -216.251 GPRESSURE: 192400 -62.8592 169.633 -76.1001 156.108 -175.527 -151.624 -228.066 -74.428 -222.289 PRESSAVG: 192400 -2.6306 1.20671 -4.87926 1.20672 20.6582 -18.9744 -4.87929 -18.9744 -1.33002 GPRESSAVG: 192400 -2.51982 1.16196 -4.46312 2.24919 20.6972 -18.9215 -5.86505 -18.5371 -0.552374 TIMING: 192400 CPU: 605.114, 0.00319015/step Wall: 605.114, 0.00319015/step, 4.26027 hours remaining, 230.781250 MB of memory in use. ENERGY: 192400 4044.4299 20609.7295 14417.6366 252.0450 -203234.1167 2360.1624 0.0000 0.0000 52217.4962 -109332.6170 300.0947 -161550.1132 -108966.1484 299.9829 -179.7447 -153.5585 761140.1861 5.5659 5.8750 PRESSURE: 192600 106.795 -15.9587 -73.7761 -15.9586 -43.372 123.653 -73.7763 123.653 97.9107 GPRESSURE: 192600 139.096 78.9602 -64.2769 -57.6555 -10.4554 179.256 -129.372 114.509 107.489 PRESSAVG: 192600 -3.15641 -11.5842 -0.431852 -11.5842 41.7776 -51.3518 -0.431809 -51.3517 15.2479 GPRESSAVG: 192600 -4.41394 -10.2882 -0.252242 -11.7295 42.6436 -51.5833 0.131176 -50.2773 15.2858 TIMING: 192600 CPU: 605.74, 0.003128/step Wall: 605.74, 0.003128/step, 4.1771 hours remaining, 230.781250 MB of memory in use. ENERGY: 192600 3994.9700 20598.5898 14481.3661 244.0312 -203283.2025 2650.8356 0.0000 0.0000 51894.3753 -109419.0346 298.2377 -161313.4098 -109046.3458 300.0318 53.7778 78.7097 762252.6517 17.9564 17.8385 PRESSURE: 192800 -43.3063 67.8836 330.906 67.8844 17.1925 -62.7282 330.905 -62.7288 299.071 GPRESSURE: 192800 -65.8303 22.4436 336.925 65.0749 88.3614 -43.1118 166.023 -4.92646 331.445 PRESSAVG: 192800 25.5183 -29.318 -20.6204 -29.318 3.8448 1.23044 -20.6204 1.23039 3.02822 GPRESSAVG: 192800 26.0103 -28.043 -21.1875 -30.9638 3.56508 2.67761 -21.874 -1.56773 3.29925 TIMING: 192800 CPU: 606.365, 0.00312929/step Wall: 606.365, 0.00312929/step, 4.17864 hours remaining, 230.781250 MB of memory in use. ENERGY: 192800 4010.4236 20571.3224 14416.6666 258.3663 -203376.2940 2488.6827 0.0000 0.0000 52009.0230 -109621.8092 298.8966 -161630.8323 -109263.9327 299.4069 90.9859 117.9919 761996.7196 10.7971 10.9582 PRESSURE: 193000 -264.844 -197.874 54.6374 -197.874 -106.91 -79.5901 54.637 -79.5905 -354.628 GPRESSURE: 193000 -276.912 -199.262 62.3063 -106.563 -10.0792 -155.88 -67.5915 -243.131 -376.402 PRESSAVG: 193000 -55.0061 -28.7589 38.0519 -28.7589 61.5629 3.34653 38.052 3.34652 6.92525 GPRESSAVG: 193000 -54.0323 -30.7511 38.7548 -28.202 60.7821 2.78602 37.555 4.12952 6.72644 TIMING: 193000 CPU: 606.991, 0.00312699/step Wall: 606.991, 0.00312699/step, 4.1754 hours remaining, 230.781250 MB of memory in use. ENERGY: 193000 4021.3460 20388.0900 14394.0485 239.0632 -203216.4017 2391.7886 0.0000 0.0000 52305.8958 -109476.1696 300.6027 -161782.0654 -109107.5287 299.6070 -242.1273 -221.1311 762057.1298 4.4940 4.4921 PRESSURE: 193200 35.282 214.099 -149.072 214.1 -118.218 -157.766 -149.072 -157.765 7.39807 GPRESSURE: 193200 -32.7775 133.915 -113.98 190.358 -42.9957 -146.016 -79.7143 -109.226 78.3413 PRESSAVG: 193200 -26.4028 -15.2653 12.8402 -15.2653 43.0613 -16.7559 12.8402 -16.756 -14.0322 GPRESSAVG: 193200 -27.3011 -14.6394 13.3541 -15.7037 43.7477 -16.1053 12.8279 -17.5288 -13.2045 TIMING: 193200 CPU: 607.617, 0.00313204/step Wall: 607.617, 0.00313204/step, 4.18196 hours remaining, 230.781250 MB of memory in use. ENERGY: 193200 3881.4585 20616.4588 14393.0225 264.9695 -203325.8878 2542.2800 0.0000 0.0000 52222.2312 -109405.4672 300.1219 -161627.6984 -109046.8974 299.8259 -25.1792 0.8560 761558.6500 0.8754 1.0807 PRESSURE: 193400 -16.6222 81.167 26.9361 81.1667 486.83 84.3454 26.9351 84.3458 32.5671 GPRESSURE: 193400 4.94146 99.363 -36.1758 10.761 410.785 108.923 -46.8816 52.9395 138.657 PRESSAVG: 193400 -14.0066 -21.4807 24.2012 -21.4808 -2.41817 -5.5509 24.2011 -5.55092 2.01742 GPRESSAVG: 193400 -14.1028 -20.9696 23.2815 -22.0392 -2.10396 -4.56709 26.0208 -5.00146 1.37041 TIMING: 193400 CPU: 608.247, 0.00315031/step Wall: 608.247, 0.00315031/step, 4.20619 hours remaining, 230.781250 MB of memory in use. ENERGY: 193400 3882.4700 20465.4457 14503.3873 267.9952 -203247.3598 2493.5168 0.0000 0.0000 52202.6954 -109431.8493 300.0096 -161634.5447 -109070.8942 299.6537 167.5916 184.7944 760382.5197 -4.8025 -4.9454 PRESSURE: 193600 -227.219 -190.299 -11.6921 -190.3 86.3603 -183.908 -11.6929 -183.909 -47.2978 GPRESSURE: 193600 -215.808 -207.194 -15.1103 -261.901 133.407 -166.658 -114.364 -232.609 -28.4464 PRESSAVG: 193600 22.0918 -41.9654 24.3465 -41.9654 4.28597 2.0928 24.3465 2.09275 12.2394 GPRESSAVG: 193600 21.5701 -41.8038 23.7987 -40.4637 4.71644 1.00732 22.9454 1.65234 12.1822 TIMING: 193600 CPU: 608.878, 0.00315307/step Wall: 608.878, 0.00315307/step, 4.20969 hours remaining, 230.781250 MB of memory in use. ENERGY: 193600 4031.0226 20495.1982 14389.4285 257.6424 -202862.4946 2217.1709 0.0000 0.0000 52040.3884 -109431.6436 299.0768 -161472.0320 -109066.8256 299.7875 -62.7189 -36.9493 761464.6676 12.8724 12.8229 PRESSURE: 193800 -147.548 -52.2009 22.3935 -52.2012 -160.481 206.038 22.394 206.038 188.402 GPRESSURE: 193800 -43.9761 -98.0421 95.2513 24.082 -113.398 198.331 -83.6715 225.311 133.245 PRESSAVG: 193800 -74.8408 -50.725 11.5813 -50.725 96.116 -43.0555 11.5813 -43.0555 -11.2242 GPRESSAVG: 193800 -73.7427 -55.4889 12.3501 -49.1761 95.8245 -43.7962 12.9009 -41.3288 -11.6966 TIMING: 193800 CPU: 609.512, 0.00316821/step Wall: 609.512, 0.00316821/step, 4.22974 hours remaining, 230.781250 MB of memory in use. ENERGY: 193800 3985.5936 20602.0447 14434.0206 242.6053 -203705.7009 2758.0729 0.0000 0.0000 52246.9943 -109436.3696 300.2642 -161683.3639 -109074.3132 299.9505 -39.8755 -8.0433 760687.3844 3.3503 3.4617 PRESSURE: 194000 578.985 -111.592 -82.0201 -111.593 441.097 -124.924 -82.0197 -124.923 417.573 GPRESSURE: 194000 572.449 -119.723 -84.1483 19.3027 495.21 -57.5884 -89.147 -44.2367 432.337 PRESSAVG: 194000 20.7509 22.5658 -27.4209 22.5658 25.966 -20.5675 -27.4209 -20.5675 17.2012 GPRESSAVG: 194000 22.0815 25.92 -27.7608 19.5771 24.8948 -18.3555 -27.1556 -22.3928 16.8933 TIMING: 194000 CPU: 610.138, 0.00313199/step Wall: 610.138, 0.00313199/step, 4.18121 hours remaining, 230.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 194000 3891.6023 20511.4186 14397.0653 256.3318 -203583.5543 2760.4196 0.0000 0.0000 52275.5678 -109491.1489 300.4284 -161766.7167 -109124.8034 299.3300 479.2182 499.9988 761127.1077 21.3060 21.2899 PRESSURE: 194200 331.968 -179.048 111.742 -179.048 222.038 91.139 111.742 91.1384 178.425 GPRESSURE: 194200 358.306 -161.163 261.32 -233.391 273.381 64.7053 84.6208 120.789 172.046 PRESSAVG: 194200 -41.2377 11.5089 10.0128 11.5089 29.4178 -34.0478 10.0128 -34.0478 6.30391 GPRESSAVG: 194200 -42.0762 12.2529 11.5801 12.114 30.0589 -35.6993 9.74793 -32.9668 6.43445 TIMING: 194200 CPU: 610.763, 0.00312789/step Wall: 610.763, 0.00312789/step, 4.17555 hours remaining, 230.781250 MB of memory in use. ENERGY: 194200 3988.0995 20470.5701 14456.0300 246.1713 -203410.7259 2519.5774 0.0000 0.0000 52070.9649 -109659.3128 299.2526 -161730.2777 -109303.1450 299.1935 244.1440 267.9112 760130.6493 -1.8387 -1.8609 PRESSURE: 194400 -121.952 -85.9949 3.89303 -85.9937 10.0384 -31.6492 3.89411 -31.6496 -97.6615 GPRESSURE: 194400 -176.749 -86.7677 46.8592 15.439 33.1857 -24.5564 -27.316 -115.753 19.8759 PRESSAVG: 194400 -31.4126 -50.7418 26.773 -50.7418 12.5963 -17.928 26.773 -17.928 -17.5917 GPRESSAVG: 194400 -31.6461 -53.0333 27.4635 -48.3264 13.0383 -17.2218 26.0785 -17.3368 -17.8251 TIMING: 194400 CPU: 611.395, 0.00315802/step Wall: 611.395, 0.00315802/step, 4.2156 hours remaining, 230.781250 MB of memory in use. ENERGY: 194400 3968.9097 20538.6891 14452.7659 221.4409 -203376.5851 2439.7418 0.0000 0.0000 51853.0297 -109902.0080 298.0001 -161755.0377 -109540.0049 298.7175 -69.8585 -41.2291 760714.9948 -12.1360 -12.1443 PRESSURE: 194600 179.696 36.6503 56.9303 36.6507 225.804 -66.6727 56.9297 -66.6725 139.47 GPRESSURE: 194600 326.232 62.0034 -18.8851 77.8056 196.69 -72.4627 5.85257 4.62428 109.276 PRESSAVG: 194600 -11.9129 -27.6062 72.7108 -27.6062 -27.9579 -0.0706397 72.7109 -0.0706886 -10.1728 GPRESSAVG: 194600 -11.8572 -27.7181 71.1093 -27.5581 -28.993 -1.68513 73.1805 -0.687285 -8.75735 TIMING: 194600 CPU: 612.026, 0.00315515/step Wall: 612.026, 0.00315515/step, 4.2116 hours remaining, 230.781250 MB of memory in use. ENERGY: 194600 3940.0617 20599.6613 14438.3861 247.6799 -203610.7523 2797.0285 0.0000 0.0000 51754.5934 -109833.3414 297.4344 -161587.9349 -109479.7535 298.3859 181.6568 210.7326 760943.2700 -16.6812 -16.5359 PRESSURE: 194800 -471.063 7.06102 56.955 7.06052 -310.641 -113.417 56.955 -113.416 220.137 GPRESSURE: 194800 -378.991 -17.0589 94.5441 18.9144 -282.568 -221.156 112.783 -129.73 188.508 PRESSAVG: 194800 14.6996 -47.7703 -6.49428 -47.7703 4.12777 -1.03071 -6.49421 -1.03079 17.9993 GPRESSAVG: 194800 16.8097 -47.3309 -5.8961 -51.2118 4.40213 -0.129536 -6.26061 -0.602065 16.5628 TIMING: 194800 CPU: 612.653, 0.00313473/step Wall: 612.653, 0.00313473/step, 4.18416 hours remaining, 230.781250 MB of memory in use. ENERGY: 194800 4000.1838 20555.0974 14404.2494 256.0678 -203413.5386 2534.5078 0.0000 0.0000 51848.5903 -109814.8422 297.9746 -161663.4325 -109460.2343 298.8859 -187.1892 -157.6839 760880.7149 12.2755 12.5915 PRESSURE: 195000 3.2734 -115.45 64.4355 -115.45 -132.529 -62.2309 64.435 -62.2309 177.375 GPRESSURE: 195000 -47.5688 -60.7354 -16.5006 -84.9032 -34.1419 -13.4718 -42.7321 -75.619 189.793 PRESSAVG: 195000 4.08812 -64.8215 -0.696674 -64.8215 86.9698 -87.1919 -0.6967 -87.1919 22.92 GPRESSAVG: 195000 2.83368 -64.4808 -0.0482526 -63.9168 88.4824 -88.4773 -2.11007 -88.6937 22.4763 TIMING: 195000 CPU: 613.285, 0.00315911/step Wall: 613.285, 0.00315911/step, 4.21653 hours remaining, 230.781250 MB of memory in use. ENERGY: 195000 3946.8156 20433.7442 14433.7644 271.3765 -203830.2716 2879.5811 0.0000 0.0000 52246.4573 -109618.5326 300.2611 -161864.9899 -109257.2480 298.9611 16.0396 36.0275 759328.2422 37.9927 37.9308 PRESSURE: 195200 64.3783 -130.719 17.1738 -130.718 145.869 -79.3743 17.1738 -79.3746 68.1435 GPRESSURE: 195200 76.399 -247.433 42.71 -88.2431 180.91 -82.1741 20.1122 -49.3177 106.844 PRESSAVG: 195200 14.0586 -95.0128 28.2179 -95.0128 27.2632 -11.874 28.2179 -11.874 -27.2408 GPRESSAVG: 195200 14.1404 -97.0719 25.1424 -92.661 26.9496 -10.4731 29.06 -9.27924 -26.8387 TIMING: 195200 CPU: 613.911, 0.00312829/step Wall: 613.911, 0.00312829/step, 4.17522 hours remaining, 230.781250 MB of memory in use. ENERGY: 195200 3985.5949 20566.8955 14503.8686 266.0666 -203978.6765 2931.9184 0.0000 0.0000 52054.2699 -109670.0626 299.1566 -161724.3325 -109310.1784 299.3855 92.7969 121.3844 761347.0301 4.6937 4.7505 PRESSURE: 195400 -157.643 -19.6355 -227.332 -19.635 -611.767 38.1243 -227.333 38.124 -181.348 GPRESSURE: 195400 -112.054 32.7281 -254.711 -74.552 -519.79 6.84003 -143.899 -56.8895 -234.349 PRESSAVG: 195400 -15.1075 -55.447 -17.4696 -55.4471 33.8525 4.53015 -17.4696 4.53013 -0.258642 GPRESSAVG: 195400 -15.2988 -53.803 -15.3578 -56.5001 34.085 4.66406 -18.5728 3.90354 -0.320804 TIMING: 195400 CPU: 614.544, 0.0031657/step Wall: 614.544, 0.0031657/step, 4.22497 hours remaining, 230.781250 MB of memory in use. ENERGY: 195400 4046.6090 20507.0884 14469.3339 253.3232 -203408.2823 2351.8250 0.0000 0.0000 52274.5427 -109505.5600 300.4225 -161780.1027 -109143.2862 299.7883 -316.9193 -288.7309 760696.3309 6.1621 6.1551 PRESSURE: 195600 82.7982 -24.4953 -160.327 -24.4961 128.306 107.183 -160.328 107.183 -321.157 GPRESSURE: 195600 127.206 -67.1551 10.3034 -60.13 99.2029 36.8408 -141.871 61.5065 -244.21 PRESSAVG: 195600 1.0814 8.7142 -19.8814 8.71411 17.363 -7.20229 -19.8814 -7.20221 -8.07839 GPRESSAVG: 195600 1.58143 7.87935 -18.47 8.47936 16.4108 -8.49252 -17.5909 -7.66836 -7.29119 TIMING: 195600 CPU: 615.18, 0.00318355/step Wall: 615.18, 0.00318355/step, 4.24863 hours remaining, 230.781250 MB of memory in use. ENERGY: 195600 3981.7047 20593.4254 14497.6108 256.2546 -203684.5203 2650.8170 0.0000 0.0000 51965.7250 -109738.9828 298.6477 -161704.7078 -109375.5201 299.3020 -36.6845 -5.9335 761729.6536 3.4553 3.5670 PRESSURE: 195800 60.1559 -95.9372 18.2179 -95.9372 -379.722 -385.471 18.2175 -385.472 122.985 GPRESSURE: 195800 140.948 -163.226 70.9923 -115.898 -419.948 -262.309 18.8558 -349.313 157.022 PRESSAVG: 195800 14.9769 -45.2197 21.4781 -45.2197 -5.2221 -49.6313 21.4781 -49.6314 21.8215 GPRESSAVG: 195800 15.8769 -44.9052 18.0896 -45.977 -4.9781 -48.6366 22.7423 -48.9043 20.625 TIMING: 195800 CPU: 615.807, 0.00313421/step Wall: 615.807, 0.00313421/step, 4.1826 hours remaining, 230.781250 MB of memory in use. ENERGY: 195800 3965.5592 20684.2427 14450.0072 254.7999 -203337.4568 2457.0994 0.0000 0.0000 51900.7545 -109624.9938 298.2743 -161525.7484 -109271.6663 299.6286 -65.5269 -40.6594 762036.5163 10.5255 10.5079 PRESSURE: 196000 -188.125 13.4939 153.586 13.4942 -64.0444 -48.6358 153.586 -48.6362 188.748 GPRESSURE: 196000 -160.09 -104.533 52.0247 39.7519 -26.9977 -40.4308 144.428 -195.558 211.841 PRESSAVG: 196000 -14.4241 4.68187 35.2018 4.68185 -23.0415 -90.5821 35.2017 -90.5821 10.4309 GPRESSAVG: 196000 -16.2215 4.35736 36.9157 5.05178 -22.2864 -90.9063 33.3392 -92.9672 11.7618 TIMING: 196000 CPU: 616.434, 0.00313529/step Wall: 616.434, 0.00313529/step, 4.18386 hours remaining, 230.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 196000 4024.7771 20468.4228 14432.2315 255.8809 -203846.6724 2773.1615 0.0000 0.0000 52191.4022 -109700.7964 299.9447 -161892.1987 -109338.5032 299.7419 -21.1407 8.2513 760304.6164 -9.0116 -8.9154 PRESSURE: 196200 -385.168 -29.2217 21.8687 -29.2224 -155.648 -132.169 21.8686 -132.17 104.799 GPRESSURE: 196200 -394.965 -23.1687 -4.70134 -49.324 -2.13415 -75.0541 -127.471 -49.9532 61.1037 PRESSAVG: 196200 -16.2245 -42.1021 44.3965 -42.102 22.1708 -71.3126 44.3965 -71.3126 4.80502 GPRESSAVG: 196200 -15.9107 -43.1022 43.3746 -41.2788 21.7094 -72.1119 45.5634 -69.1116 4.82597 TIMING: 196200 CPU: 617.062, 0.0031371/step Wall: 617.062, 0.0031371/step, 4.18611 hours remaining, 230.781250 MB of memory in use. ENERGY: 196200 3944.8250 20597.3458 14477.8271 225.3936 -203169.6759 2188.5115 0.0000 0.0000 51976.9146 -109758.8583 298.7120 -161735.7729 -109407.0647 299.6312 -145.3390 -111.9985 760486.6213 3.5838 3.5416 LDB: ============= START OF LOAD BALANCING ============== 629.46 LDB: ============== END OF LOAD BALANCING =============== 629.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 629.462 LDB: ============= START OF LOAD BALANCING ============== 629.778 LDB: Largest compute 7034 load 0.033266 is 17.0% of average load 0.195556 LDB: Average compute 0.004382 is 2.2% of average load 0.195556 LDB: TIME 629.781 LOAD: AVG 0.195556 MAX 0.218716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.574 MB LDB: TIME 629.782 LOAD: AVG 0.195556 MAX 0.218716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.574 MB LDB: TIME 629.782 LOAD: AVG 0.195556 MAX 0.216664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.574 MB LDB: ============== END OF LOAD BALANCING =============== 629.784 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 629.789 PRESSURE: 196400 -83.0711 -56.9731 -48.7586 -56.9739 376.554 -175.244 -48.7586 -175.243 -378.655 GPRESSURE: 196400 23.9101 -71.3493 -3.21835 -83.9843 337.916 -118.552 -39.9705 -157.413 -352.267 PRESSAVG: 196400 -3.09864 -2.65862 11.2827 -2.6586 -14.8876 -49.9737 11.2828 -49.9737 -2.99489 GPRESSAVG: 196400 -2.32305 -1.36288 11.2531 -4.97878 -15.3876 -49.7696 9.52738 -51.0845 -3.17327 TIMING: 196400 CPU: 617.706, 0.00322226/step Wall: 617.706, 0.00322225/step, 4.29956 hours remaining, 231.562500 MB of memory in use. ENERGY: 196400 3992.0718 20390.6431 14476.9062 235.0530 -203236.3556 2335.1090 0.0000 0.0000 51958.1411 -109848.4314 298.6042 -161806.5725 -109477.3551 299.1884 -28.3907 3.1866 759787.5278 -6.9937 -6.9613 PRESSURE: 196600 162.117 43.4928 258.442 43.4921 44.2294 -99.8737 258.442 -99.8732 -397.466 GPRESSURE: 196600 225.242 -11.9208 208.36 -5.27534 17.1995 -201.429 293.095 -88.9777 -349.582 PRESSAVG: 196600 17.6623 -61.4268 18.725 -61.4269 2.89816 -76.7808 18.7249 -76.7808 24.6335 GPRESSAVG: 196600 17.0641 -60.6375 18.4168 -59.9045 2.94867 -77.2834 19.0203 -75.9545 25.2679 TIMING: 196600 CPU: 618.334, 0.00313825/step Wall: 618.334, 0.00313825/step, 4.1873 hours remaining, 231.562500 MB of memory in use. ENERGY: 196600 4011.1174 20490.2353 14457.2049 250.2939 -203583.5509 2673.2610 0.0000 0.0000 51806.9321 -109894.5062 297.7352 -161701.4383 -109526.4686 298.6798 -63.7067 -35.7134 761090.1382 15.0646 15.0936 PRESSURE: 196800 -89.6735 -78.9608 200.573 -78.9611 90.2491 -186.468 200.572 -186.469 -11.9836 GPRESSURE: 196800 -104.824 -226.196 247.496 -19.6929 137.974 -117.051 47.8492 -243.035 34.9514 PRESSAVG: 196800 39.2267 -26.0694 6.15217 -26.0695 -27.45 -58.5652 6.15227 -58.5653 -17.8524 GPRESSAVG: 196800 39.9996 -25.7684 6.5531 -25.0972 -26.5439 -58.4099 6.72992 -59.7006 -19.3042 TIMING: 196800 CPU: 618.968, 0.00317318/step Wall: 618.968, 0.00317318/step, 4.23372 hours remaining, 231.765625 MB of memory in use. ENERGY: 196800 4042.6739 20327.5080 14415.7083 263.0826 -203200.0833 2423.4610 0.0000 0.0000 51872.1678 -109855.4815 298.1101 -161727.6493 -109503.2977 298.3569 -3.8026 22.7004 761327.4940 -2.0253 -1.9495 PRESSURE: 197000 -37.0944 -97.873 -22.6807 -97.873 289.891 -170.142 -22.6809 -170.141 63.1868 GPRESSURE: 197000 7.34088 97.5576 0.0722501 -171.34 347.891 -200.023 -38.1239 -96.1782 58.6818 PRESSAVG: 197000 -94.0783 -61.4493 27.1206 -61.4493 64.3952 11.5531 27.1206 11.5531 37.7492 GPRESSAVG: 197000 -93.8095 -61.3969 26.4934 -62.5739 63.8471 11.228 25.318 12.4968 37.472 TIMING: 197000 CPU: 619.602, 0.00316832/step Wall: 619.602, 0.00316832/step, 4.22706 hours remaining, 231.765625 MB of memory in use. ENERGY: 197000 3972.1890 20283.3064 14449.4315 256.6351 -203599.7999 2732.6535 0.0000 0.0000 51997.3179 -109908.2665 298.8293 -161905.5844 -109551.0017 298.0296 105.3279 137.9713 760929.1396 2.6887 2.5032 PRESSURE: 197200 75.7891 37.3551 296.577 37.3546 -69.5698 40.1798 296.578 40.1799 311.44 GPRESSURE: 197200 56.1479 -29.3291 307.089 43.9039 63.0727 40.9956 233.269 99.9355 260.121 PRESSAVG: 197200 -52.4104 -56.9403 52.9423 -56.9404 49.2932 -5.90982 52.9423 -5.90972 -13.6194 GPRESSAVG: 197200 -53.101 -56.751 54.2115 -56.7647 49.8191 -6.16761 55.2751 -5.89365 -13.5148 TIMING: 197200 CPU: 620.238, 0.00317918/step Wall: 620.238, 0.00317918/step, 4.24138 hours remaining, 231.765625 MB of memory in use. ENERGY: 197200 4069.0163 20397.0175 14393.3988 251.0114 -203497.0958 2804.6405 0.0000 0.0000 51771.0376 -109810.9735 297.5289 -161582.0112 -109451.5928 298.6176 105.8863 126.4473 763480.4275 -5.5789 -5.5989 PRESSURE: 197400 -170.808 4.44458 73.9246 4.44527 156.44 23.7838 73.9236 23.7836 -550.739 GPRESSURE: 197400 -145.13 20.7688 35.7731 -81.3508 199.348 -11.5337 -83.2424 60.4098 -510.253 PRESSAVG: 197400 -55.6716 0.0367795 -42.4013 0.0367633 59.3827 27.9865 -42.4012 27.9866 16.6204 GPRESSAVG: 197400 -55.9663 -0.333856 -43.8505 -1.04776 59.1704 28.7423 -42.3758 26.909 16.8859 TIMING: 197400 CPU: 620.872, 0.00317117/step Wall: 620.872, 0.00317117/step, 4.23051 hours remaining, 231.765625 MB of memory in use. ENERGY: 197400 3987.8319 20471.9585 14456.8350 230.2302 -203495.2240 2545.3037 0.0000 0.0000 51851.0770 -109951.9878 297.9889 -161803.0647 -109581.9818 298.5990 -188.3690 -152.0114 761640.7810 6.7772 6.6967 PRESSURE: 197600 89.6449 -97.7213 -142.769 -97.7209 258.556 14.3562 -142.768 14.357 387.664 GPRESSURE: 197600 80.908 -62.7145 -131.921 -52.9011 332.997 58.4593 -61.1263 91.5375 397.308 PRESSAVG: 197600 -0.338495 -15.8175 -51.6657 -15.8176 28.5 -7.86746 -51.6657 -7.86758 20.8374 GPRESSAVG: 197600 -0.590633 -14.9412 -50.965 -15.6168 28.9936 -7.23155 -52.6992 -5.30303 20.9163 TIMING: 197600 CPU: 621.502, 0.0031508/step Wall: 621.502, 0.0031508/step, 4.20316 hours remaining, 231.765625 MB of memory in use. ENERGY: 197600 3840.7823 20549.7365 14383.6188 264.0847 -203381.6766 2731.0187 0.0000 0.0000 51759.8478 -109852.5879 297.4646 -161612.4357 -109500.4384 299.0148 245.2881 270.4043 762653.1588 16.3330 16.4398 PRESSURE: 197800 72.3728 -96.2195 -29.3806 -96.2195 -131.82 -16.98 -29.3799 -16.9815 307.827 GPRESSURE: 197800 149.774 -128.518 -79.5639 -101.326 -95.1667 -95.537 64.3834 -46.855 278.063 PRESSAVG: 197800 5.18246 -17.9007 17.8732 -17.9007 -9.50007 9.78418 17.8731 9.78418 -5.14668 GPRESSAVG: 197800 5.74539 -19.6697 18.6539 -16.6766 -10.8757 8.68016 18.3773 9.84181 -4.29877 TIMING: 197800 CPU: 622.13, 0.0031368/step Wall: 622.13, 0.0031368/step, 4.18432 hours remaining, 231.765625 MB of memory in use. ENERGY: 197800 3946.4043 20397.1745 14452.2844 259.8155 -203914.9225 2669.4612 0.0000 0.0000 52428.1601 -109761.6225 301.3054 -162189.7826 -109394.7032 299.0607 82.7931 110.8900 761296.1215 -3.1548 -3.1430 PRESSURE: 198000 250.517 151.708 -130.577 151.707 -382.15 -8.59985 -130.576 -8.60075 132.881 GPRESSURE: 198000 163.259 53.7297 -61.2618 136.259 -287.327 95.5905 -105.006 -10.8344 196.672 PRESSAVG: 198000 57.1863 -44.5528 63.4556 -44.5528 -19.0145 17.4176 63.4557 17.4175 0.401473 GPRESSAVG: 198000 56.0926 -44.4775 62.9311 -44.7686 -16.7654 18.3321 64.603 17.3083 -0.908269 TIMING: 198000 CPU: 622.756, 0.00312952/step Wall: 622.756, 0.00312952/step, 4.17444 hours remaining, 231.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 198000 4013.6312 20626.1459 14449.7566 235.4422 -203403.3036 2580.0375 0.0000 0.0000 51873.8709 -109624.4194 298.1198 -161498.2904 -109270.2475 299.0878 0.4160 24.2012 760489.7254 12.8577 12.8063 PRESSURE: 198200 130.677 -154.219 27.01 -154.219 -24.076 37.8032 27.0089 37.8037 -362.549 GPRESSURE: 198200 197.926 -243.86 44.7101 -95.2691 5.62675 51.8036 108.08 62.9894 -367.924 PRESSAVG: 198200 -35.951 -41.6971 25.3991 -41.6971 24.3718 -19.1814 25.3991 -19.1814 6.45984 GPRESSAVG: 198200 -35.3648 -42.9505 25.1003 -40.6014 23.1917 -18.8661 23.9523 -20.0508 7.27764 TIMING: 198200 CPU: 623.382, 0.00313402/step Wall: 623.382, 0.00313402/step, 4.18027 hours remaining, 231.765625 MB of memory in use. ENERGY: 198200 3972.8318 20343.1784 14526.1971 255.1171 -203337.3342 2645.3257 0.0000 0.0000 52154.2458 -109440.4384 299.7312 -161594.6842 -109085.6328 298.9966 -85.3161 -54.7904 761675.4838 -1.7064 -1.6318 PRESSURE: 198400 64.1127 62.5234 84.7306 62.5227 -82.7694 -190.67 84.7299 -190.67 218.028 GPRESSURE: 198400 209.989 107.15 79.5434 35.7369 -159.422 -164.592 -6.72264 -137.816 221.358 PRESSAVG: 198400 -29.2526 -64.8979 13.127 -64.8979 30.0215 29.3339 13.127 29.3338 12.5685 GPRESSAVG: 198400 -27.4053 -63.2533 12.1654 -66.4567 29.1986 28.6586 11.1311 29.3575 11.7348 TIMING: 198400 CPU: 624.007, 0.0031217/step Wall: 624.007, 0.0031217/step, 4.16366 hours remaining, 231.765625 MB of memory in use. ENERGY: 198400 3949.3293 20557.3797 14448.9162 267.3755 -203190.4992 2621.2810 0.0000 0.0000 52101.3514 -109244.8660 299.4272 -161346.2174 -108889.6159 300.0465 66.4571 90.6418 761854.7121 4.4458 4.5094 PRESSURE: 198600 194.295 67.3627 -48.54 67.3629 -132.254 115.566 -48.5407 115.567 -335.819 GPRESSURE: 198600 226.35 30.5857 -47.1216 64.1652 -106.712 75.4763 -79.131 70.1066 -307.686 PRESSAVG: 198600 37.1821 5.50536 -11.1204 5.50534 -18.6814 52.3951 -11.1204 52.3951 3.80421 GPRESSAVG: 198600 34.3761 4.4496 -12.4582 6.12507 -18.0062 53.6142 -6.5313 52.0121 5.94462 TIMING: 198600 CPU: 624.631, 0.00312266/step Wall: 624.631, 0.00312266/step, 4.16476 hours remaining, 231.765625 MB of memory in use. ENERGY: 198600 3919.5749 20645.6698 14413.1829 249.9129 -203126.8559 2453.1304 0.0000 0.0000 51929.7149 -109515.6701 298.4408 -161445.3850 -109149.0647 300.0059 -91.2594 -62.6825 760507.2856 7.4350 7.4382 PRESSURE: 198800 -243.899 -118.068 -109.329 -118.067 -595.398 -53.5822 -109.329 -53.5826 -270.75 GPRESSURE: 198800 -231.299 -71.6834 -145.66 -65.9052 -485.425 -54.4392 -35.7122 -17.0651 -286.047 PRESSAVG: 198800 -28.4101 -42.4275 2.17765 -42.4275 25.2382 18.565 2.17764 18.5651 -14.8627 GPRESSAVG: 198800 -28.2318 -42.0296 4.80218 -40.8059 27.0079 17.4365 -0.145727 18.5952 -16.0675 TIMING: 198800 CPU: 625.259, 0.00313761/step Wall: 625.259, 0.00313761/step, 4.18452 hours remaining, 231.765625 MB of memory in use. ENERGY: 198800 3998.6899 20481.8259 14435.5739 246.6661 -202882.9955 2304.0930 0.0000 0.0000 52003.1233 -109413.0234 298.8627 -161416.1467 -109042.8428 299.2851 -370.0156 -334.2570 762324.6220 -6.0115 -5.7638 PRESSURE: 199000 -60.2978 -39.911 92.6051 -39.91 -10.875 -29.971 92.6053 -29.9708 -287.822 GPRESSURE: 199000 -91.9192 -42.0803 4.57475 116.39 15.1776 98.5026 13.5223 -68.2064 -221.783 PRESSAVG: 199000 0.0413865 4.75709 -24.8727 4.7571 5.55344 5.19331 -24.8727 5.19325 3.92732 GPRESSAVG: 199000 1.27635 6.03475 -25.3406 2.27238 4.6941 6.12887 -25.6979 3.94438 2.96064 TIMING: 199000 CPU: 625.886, 0.00313663/step Wall: 625.886, 0.00313663/step, 4.18304 hours remaining, 231.765625 MB of memory in use. ENERGY: 199000 3966.9661 20630.5785 14418.6494 242.9007 -203354.1664 2469.7022 0.0000 0.0000 52186.6223 -109438.7472 299.9172 -161625.3695 -109067.2691 299.6346 -119.6651 -99.5082 760537.6868 3.1740 2.9770 PRESSURE: 199200 261.904 -164.031 -11.2327 -164.03 125.845 135.885 -11.2319 135.885 146.448 GPRESSURE: 199200 245.328 -133.511 -47.2707 -94.3068 213.085 67.2178 63.4478 87.6494 139.746 PRESSAVG: 199200 -14.1417 12.5156 -52.7316 12.5156 -6.40276 21.1144 -52.7315 21.1144 -7.11966 GPRESSAVG: 199200 -13.6139 10.8869 -53.1786 13.1931 -7.21069 20.5211 -51.8249 22.4701 -6.38359 TIMING: 199200 CPU: 626.51, 0.00312034/step Wall: 626.51, 0.00312034/step, 4.16114 hours remaining, 231.765625 MB of memory in use. ENERGY: 199200 3991.1320 20473.1602 14408.9628 249.4429 -203153.2957 2568.6062 0.0000 0.0000 52314.4471 -109147.5445 300.6518 -161461.9916 -108782.8952 299.6266 178.0656 199.3864 762130.3894 -9.2214 -9.0694 PRESSURE: 199400 -261.703 -113.231 -269.805 -113.231 -290.055 56.0809 -269.804 56.0804 -261.541 GPRESSURE: 199400 -143.485 -179.885 -209.421 -38.0261 -270.584 158.784 -259.92 30.4304 -319.971 PRESSAVG: 199400 -4.1971 -10.0215 -11.5959 -10.0215 18.384 -17.7652 -11.5959 -17.7652 2.82296 GPRESSAVG: 199400 -4.69638 -9.89467 -11.4432 -10.5415 18.8454 -19.0924 -10.3365 -17.4579 2.81239 TIMING: 199400 CPU: 627.137, 0.00313502/step Wall: 627.137, 0.00313502/step, 4.18055 hours remaining, 231.765625 MB of memory in use. ENERGY: 199400 3938.8330 20608.4111 14545.1664 244.0784 -203013.7412 2300.0990 0.0000 0.0000 52247.3040 -109129.8493 300.2660 -161377.1533 -108758.3743 300.4748 -271.0997 -244.6801 761568.3484 5.6699 5.6538 PRESSURE: 199600 -72.8938 -31.5205 146.304 -31.5204 -34.4276 6.76471 146.304 6.76621 -89.7979 GPRESSURE: 199600 54.0722 -52.936 80.2959 -66.8086 -21.8378 -77.5413 124.803 51.3606 -135.879 PRESSAVG: 199600 -8.12716 -44.771 -9.52649 -44.771 23.6231 -31.8885 -9.52654 -31.8885 -12.4604 GPRESSAVG: 199600 -8.45969 -42.7569 -10.3909 -45.6505 24.2186 -31.6006 -11.8752 -31.8545 -12.1161 TIMING: 199600 CPU: 627.768, 0.00315254/step Wall: 627.768, 0.00315254/step, 4.20374 hours remaining, 231.765625 MB of memory in use. ENERGY: 199600 3970.8757 20712.9889 14420.5801 237.2510 -203029.6053 2384.8357 0.0000 0.0000 52288.4038 -109014.6702 300.5022 -161303.0739 -108658.2390 300.2158 -65.7064 -34.5481 760350.8080 1.0118 1.2143 PRESSURE: 199800 136.251 -4.1385 -44.8835 -4.13865 -250.382 22.7465 -44.8832 22.7468 -97.7212 GPRESSURE: 199800 178.046 2.11092 -3.15028 -130.4 -227.059 20.1562 -27.7365 50.0282 -75.9209 PRESSAVG: 199800 4.8194 11.6337 -53.1299 11.6337 21.182 59.0244 -53.1298 59.0243 15.106 GPRESSAVG: 199800 4.18732 12.2984 -52.3121 10.9493 21.7905 60.5057 -51.4996 56.7468 14.4355 TIMING: 199800 CPU: 628.391, 0.00311827/step Wall: 628.391, 0.00311827/step, 4.15787 hours remaining, 231.765625 MB of memory in use. ENERGY: 199800 3987.6183 20385.9088 14497.7810 233.2921 -202715.3411 2288.8620 0.0000 0.0000 52218.9673 -109102.9116 300.1031 -161321.8789 -108735.0489 300.1043 -70.6174 -41.6445 761545.6104 13.7025 13.4711 PRESSURE: 200000 -159.003 -71.7302 -80.7885 -71.7299 -250.074 215.938 -80.7895 215.938 -194.489 GPRESSURE: 200000 -122.113 -75.0912 -78.5801 -133.759 -201.216 281.069 -174.142 279.873 -198.221 PRESSAVG: 200000 -29.6672 -45.2765 -30.7486 -45.2765 -7.16858 16.9387 -30.7486 16.9388 -3.24334 GPRESSAVG: 200000 -29.2574 -45.4787 -30.3023 -45.573 -7.74367 17.286 -31.0853 18.5583 -3.31126 TIMING: 200000 CPU: 629.02, 0.0031428/step Wall: 629.02, 0.0031428/step, 4.1904 hours remaining, 231.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 200000 3989.7512 20478.3040 14430.1066 231.4225 -202800.7118 2331.0447 0.0000 0.0000 52267.0996 -109072.9833 300.3797 -161340.0829 -108714.5166 299.8608 -201.1886 -173.8498 763073.9483 -13.3597 -13.4375 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.015 seconds, 231.766 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.010 seconds, 231.895 MB of memory in use PRESSURE: 200200 20.7184 -86.7044 -56.5302 -86.7033 -512.59 -92.1344 -56.5297 -92.1342 -165.195 GPRESSURE: 200200 14.3832 -46.8656 -61.1401 65.6223 -383.019 -69.36 -13.2373 -140.843 -207.73 PRESSAVG: 200200 -41.122 -39.3548 5.72306 -39.3549 45.2093 6.27296 5.72306 6.2729 -1.86391 GPRESSAVG: 200200 -41.1384 -39.5532 5.41289 -37.3592 45.4136 6.05489 4.27626 5.2178 -1.96111 TIMING: 200200 CPU: 629.676, 0.00327946/step Wall: 629.676, 0.00327946/step, 4.37244 hours remaining, 231.894531 MB of memory in use. ENERGY: 200200 3979.8838 20437.3402 14480.3732 249.9584 -202708.8160 2202.7149 0.0000 0.0000 52218.1115 -109140.4339 300.0982 -161358.5454 -108770.2150 299.8474 -219.0224 -192.1217 762983.9938 0.7411 0.7714 LDB: ============= START OF LOAD BALANCING ============== 642.072 LDB: ============== END OF LOAD BALANCING =============== 642.072 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 642.074 LDB: ============= START OF LOAD BALANCING ============== 642.387 LDB: Largest compute 7045 load 0.032519 is 16.6% of average load 0.195467 LDB: Average compute 0.004397 is 2.2% of average load 0.195467 LDB: TIME 642.391 LOAD: AVG 0.195467 MAX 0.217766 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.828 MB LDB: TIME 642.391 LOAD: AVG 0.195467 MAX 0.217766 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.898 MB LDB: TIME 642.391 LOAD: AVG 0.195467 MAX 0.217766 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 642.393 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 642.398 PRESSURE: 200400 18.3406 87.4917 122.754 87.4922 -24.0433 242.322 122.754 242.322 -366.742 GPRESSURE: 200400 -10.6037 151.13 112.222 -21.4294 141.993 213.121 102.324 121.291 -431.717 PRESSAVG: 200400 2.69372 -9.88288 38.7707 -9.88294 24.1383 -2.31826 38.7707 -2.31828 -6.30629 GPRESSAVG: 200400 2.01896 -8.72815 38.7153 -9.73286 24.5734 -4.7834 40.0788 -1.86971 -5.84275 TIMING: 200400 CPU: 630.315, 0.00319693/step Wall: 630.315, 0.00319693/step, 4.26222 hours remaining, 231.445312 MB of memory in use. ENERGY: 200400 4000.2648 20540.1636 14405.2275 235.1729 -202591.0120 2176.4262 0.0000 0.0000 52087.1761 -109146.5808 299.3457 -161233.7570 -108780.8602 299.9521 -124.1484 -100.1093 762337.5836 6.8419 6.9165 PRESSURE: 200600 -273.367 -17.7681 -171.456 -17.7688 48.1711 106.945 -171.456 106.945 -23.0018 GPRESSURE: 200600 -199.537 -75.7699 -178.797 -61.0066 98.5084 123.375 -45.2552 20.4392 -62.7771 PRESSAVG: 200600 -15.295 -24.6048 6.85609 -24.6048 8.6347 -34.5218 6.85614 -34.5218 -5.53476 GPRESSAVG: 200600 -14.5268 -25.6744 6.29651 -25.4109 8.50348 -32.7888 7.21652 -35.1167 -6.26104 TIMING: 200600 CPU: 630.941, 0.00312941/step Wall: 630.941, 0.00312941/step, 4.17203 hours remaining, 231.445312 MB of memory in use. ENERGY: 200600 3979.8675 20511.9949 14505.5604 239.4662 -202582.7815 2229.8422 0.0000 0.0000 51982.8769 -109133.1734 298.7463 -161116.0503 -108774.7281 299.6238 -82.7326 -54.6018 761372.1441 -4.0650 -4.0948 PRESSURE: 200800 50.6268 -154.68 58.014 -154.681 -32.4045 48.0619 58.0127 48.0622 -248.006 GPRESSURE: 200800 130.102 -78.1963 64.8334 -152.158 -77.4433 126.673 32.0024 128.25 -216.396 PRESSAVG: 200800 -27.9398 -15.4014 23.6848 -15.4014 -4.35593 36.5089 23.6847 36.5089 6.58446 GPRESSAVG: 200800 -27.6382 -13.7048 24.8333 -15.8283 -4.72713 38.047 24.6717 36.7116 6.61341 TIMING: 200800 CPU: 631.57, 0.0031434/step Wall: 631.57, 0.0031434/step, 4.1905 hours remaining, 231.445312 MB of memory in use. ENERGY: 200800 4039.4451 20478.2272 14404.9793 248.2076 -202851.1078 2508.1539 0.0000 0.0000 52074.3033 -109097.7915 299.2717 -161172.0949 -108733.3414 299.5849 -76.5945 -54.5790 762379.3886 -8.5704 -8.5840 PRESSURE: 201000 -84.3148 39.4436 231.396 39.4436 -46.0334 59.6322 231.395 59.6327 -8.02531 GPRESSURE: 201000 7.69738 -43.5046 281.355 145.561 36.9586 89.2808 188.659 -19.019 -106.484 PRESSAVG: 201000 30.8198 -60.4069 10.5014 -60.4069 -3.41738 20.8082 10.5015 20.8081 26.3696 GPRESSAVG: 201000 30.1153 -61.8559 9.7337 -58.9891 -4.29725 19.4006 11.0754 21.517 26.9399 TIMING: 201000 CPU: 632.199, 0.00314834/step Wall: 632.199, 0.00314834/step, 4.19692 hours remaining, 231.445312 MB of memory in use. ENERGY: 201000 3951.2966 20322.4702 14529.4520 256.6537 -203293.4325 2527.3585 0.0000 0.0000 52334.4262 -109371.7754 300.7667 -161706.2016 -109004.2477 299.4511 -46.1245 -20.6092 760494.1870 17.9240 17.5860 PRESSURE: 201200 249.859 -190.01 257.437 -190.01 29.1352 95.2977 257.438 95.2982 5.26817 GPRESSURE: 201200 252.656 -64.7444 280.126 -228.478 99.6505 51.7522 215.996 114.591 31.5717 PRESSAVG: 201200 -28.3959 1.40313 10.9856 1.40312 33.0002 -19.2223 10.9855 -19.2224 10.4983 GPRESSAVG: 201200 -28.6018 -0.216156 11.5722 1.00458 33.8788 -20.7076 9.40268 -18.0463 10.228 TIMING: 201200 CPU: 632.828, 0.00314074/step Wall: 632.828, 0.00314074/step, 4.18661 hours remaining, 231.445312 MB of memory in use. ENERGY: 201200 4024.0029 20408.1139 14363.7602 245.9931 -203556.5431 2669.1365 0.0000 0.0000 52321.0379 -109524.4986 300.6897 -161845.5364 -109163.3432 299.7236 94.7541 127.9595 758955.7562 5.0342 5.1683 PRESSURE: 201400 102.403 -5.45861 -169.596 -5.45864 -12.0941 -82.1493 -169.596 -82.1477 166.26 GPRESSURE: 201400 135.382 16.6247 -120.965 29.378 86.4718 -49.6795 -164.032 -222.756 104.792 PRESSAVG: 201400 49.3933 32.4886 26.0102 32.4887 -27.6931 16.4075 26.0102 16.4075 11.7208 GPRESSAVG: 201400 49.2041 33.5754 25.0753 33.9084 -28.0106 17.1205 24.2004 16.4289 12.0211 TIMING: 201400 CPU: 633.457, 0.00314607/step Wall: 633.457, 0.00314607/step, 4.19354 hours remaining, 231.460938 MB of memory in use. ENERGY: 201400 4039.3430 20393.9750 14503.5157 235.7499 -203100.8836 2645.6972 0.0000 0.0000 51933.5961 -109349.0068 298.4631 -161282.6028 -108989.2788 299.1521 85.5230 108.8817 759409.2455 11.1404 11.0715 PRESSURE: 201600 116.646 91.5054 300.166 91.505 -212.904 41.4162 300.166 41.4169 -340.703 GPRESSURE: 201600 137.619 12.452 260.211 159.85 -153.407 106.561 307.072 -1.7335 -341.744 PRESSAVG: 201600 46.2141 -46.7346 -46.4472 -46.7346 -36.6808 -14.7967 -46.4473 -14.7967 17.1393 GPRESSAVG: 201600 46.4474 -47.9999 -45.5146 -47.8971 -37.058 -12.1277 -44.3588 -16.9062 17.4611 TIMING: 201600 CPU: 634.088, 0.00315496/step Wall: 634.088, 0.00315496/step, 4.20521 hours remaining, 231.460938 MB of memory in use. ENERGY: 201600 3938.8584 20412.2504 14394.5101 240.8576 -202578.1512 2151.4791 0.0000 0.0000 52321.5938 -109118.6018 300.6929 -161440.1956 -108749.1454 299.9239 -145.6536 -119.1773 760333.0236 8.8909 8.9502 PRESSURE: 201800 -304.857 8.79138 -119.496 8.79071 -190.25 134.862 -119.495 134.861 -177.369 GPRESSURE: 201800 -215.406 7.30754 -24.5026 -118.711 -242.446 175.948 -216.858 -6.51731 -116.478 PRESSAVG: 201800 51.7099 7.34335 -27.3697 7.34331 -29.5169 -39.5656 -27.3697 -39.5656 17.2536 GPRESSAVG: 201800 52.1085 9.28108 -26.8443 7.19973 -29.8622 -40.7641 -27.2737 -39.4104 16.7959 TIMING: 201800 CPU: 634.714, 0.00313229/step Wall: 634.714, 0.00313229/step, 4.17482 hours remaining, 231.460938 MB of memory in use. ENERGY: 201800 4021.5016 20562.9617 14446.1734 253.4155 -202929.4104 2264.8638 0.0000 0.0000 52272.7322 -109107.7623 300.4121 -161380.4945 -108737.2361 300.4083 -224.1588 -191.4436 758856.1734 13.1489 13.0141 PRESSURE: 202000 -145.287 149.284 -59.4886 149.283 -364.906 85.2654 -59.4887 85.2667 -49.8307 GPRESSURE: 202000 -154.491 123.453 -147.127 126.139 -240.884 68.4856 -105.744 79.0744 -74.9808 PRESSAVG: 202000 24.4454 15.9575 16.6212 15.9575 -46.8065 19.914 16.6212 19.914 -8.47547 GPRESSAVG: 202000 23.6918 13.7009 14.5426 16.7544 -44.9886 21.425 15.3407 18.6577 -9.26735 TIMING: 202000 CPU: 635.342, 0.00313739/step Wall: 635.342, 0.00313739/step, 4.18145 hours remaining, 231.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 202000 3977.6316 20537.3047 14441.3533 258.6027 -202907.0051 2294.3098 0.0000 0.0000 52362.5269 -109035.2760 300.9282 -161397.8028 -108670.8059 300.6410 -186.6744 -156.7851 760223.5867 -10.2789 -10.1880 PRESSURE: 202200 -234.99 -47.9091 390.261 -47.9098 -166.189 39.8599 390.26 39.8588 -345.1 GPRESSURE: 202200 -216.729 36.4145 395.013 -80.9486 -113.349 54.0241 226.504 5.06144 -327.109 PRESSAVG: 202200 -10.9637 1.76274 -8.98896 1.76269 6.73562 14.5906 -8.98898 14.5906 -14.6169 GPRESSAVG: 202200 -11.0499 1.92193 -7.38678 1.06402 5.82395 11.5869 -8.87054 15.7744 -14.255 TIMING: 202200 CPU: 635.97, 0.00314373/step Wall: 635.97, 0.00314373/step, 4.18972 hours remaining, 231.460938 MB of memory in use. ENERGY: 202200 4024.9762 20595.8930 14447.5013 234.4575 -202581.8247 2039.7421 0.0000 0.0000 52197.9955 -109041.2591 299.9826 -161239.2545 -108680.9560 300.3497 -248.7596 -219.0625 760164.3473 -6.2816 -6.4937 PRESSURE: 202400 128.222 -208.822 -272.624 -208.823 -154.106 -196.33 -272.625 -196.331 -316.008 GPRESSURE: 202400 140.565 -170.865 -312.034 -123.756 -146.202 -177.833 -95.2164 -132.19 -247.19 PRESSAVG: 202400 22.2197 5.92291 -8.72679 5.92284 -11.4442 -27.5878 -8.72679 -27.588 12.0686 GPRESSAVG: 202400 23.2493 4.48358 -8.87682 6.34249 -12.486 -26.8972 -7.14413 -24.2684 12.3726 TIMING: 202400 CPU: 636.603, 0.00316071/step Wall: 636.603, 0.00316071/step, 4.21218 hours remaining, 231.460938 MB of memory in use. ENERGY: 202400 4066.7996 20515.2495 14485.9357 247.8294 -202724.9035 2173.0377 0.0000 0.0000 52254.4378 -108981.6137 300.3070 -161236.0515 -108617.0568 300.5154 -113.9638 -84.2755 760363.8766 7.6147 7.7120 PRESSURE: 202600 298.426 403.832 36.4 403.834 317.114 86.4394 36.3988 86.4402 197.72 GPRESSURE: 202600 240.771 262.164 100.654 183.535 501.633 32.4755 87.9392 76.6586 139.971 PRESSAVG: 202600 18.8968 -19.6699 -32.7268 -19.6699 -35.7641 -34.2599 -32.7268 -34.2599 10.3115 GPRESSAVG: 202600 16.6742 -17.6292 -32.5695 -20.6695 -33.479 -34.8302 -33.8429 -38.1343 10.7233 TIMING: 202600 CPU: 637.232, 0.00314601/step Wall: 637.232, 0.00314601/step, 4.1924 hours remaining, 231.460938 MB of memory in use. ENERGY: 202600 4040.3878 20602.8438 14480.5803 247.4955 -203446.2855 2801.7787 0.0000 0.0000 52233.2410 -109039.9584 300.1852 -161273.1995 -108679.8144 300.6078 271.0865 294.1250 760722.5191 -2.1853 -2.0272 PRESSURE: 202800 231.324 -24.6427 -89.9448 -24.6431 245.37 64.9924 -89.9451 64.993 637.595 GPRESSURE: 202800 210.546 144.935 -78.3585 67.987 289.87 59.851 -85.3981 88.3413 687.282 PRESSAVG: 202800 71.8652 51.9783 29.5989 51.9783 -32.799 24.2784 29.5989 24.2784 24.3293 GPRESSAVG: 202800 72.7067 51.4538 27.5573 51.1968 -34.6479 25.8722 30.4094 25.8693 25.2312 TIMING: 202800 CPU: 637.86, 0.00313993/step Wall: 637.86, 0.00313993/step, 4.18413 hours remaining, 231.460938 MB of memory in use. ENERGY: 202800 4044.4368 20623.1674 14477.3626 224.4022 -203507.2761 2914.2716 0.0000 0.0000 51982.4897 -109241.1458 298.7441 -161223.6355 -108879.5117 300.3785 371.4296 395.8995 761152.8788 21.1318 21.0967 PRESSURE: 203000 -361.409 -226.572 90.9642 -226.572 -96.043 -43.5489 90.9646 -43.5487 -384.195 GPRESSURE: 203000 -363.51 -273.079 182.929 -147.769 -98.9173 -21.5024 195.025 38.6906 -290.025 PRESSAVG: 203000 14.7356 -52.335 11.1551 -52.3351 -19.3426 -13.6286 11.1552 -13.6286 -20.3205 GPRESSAVG: 203000 14.2698 -51.964 13.2661 -51.2822 -18.1315 -14.5777 11.0686 -13.6826 -20.9633 TIMING: 203000 CPU: 638.488, 0.0031392/step Wall: 638.488, 0.0031392/step, 4.18298 hours remaining, 231.460938 MB of memory in use. ENERGY: 203000 3996.8538 20413.3285 14424.6194 252.6468 -203086.1880 2381.7933 0.0000 0.0000 52208.0355 -109408.9107 300.0403 -161616.9462 -109039.7507 299.9200 -280.5490 -250.8175 762231.2142 -8.3092 -8.2750 PRESSURE: 203200 -156.993 -18.6465 187.616 -18.6463 -65.9546 -26.0789 187.616 -26.0787 80.942 GPRESSURE: 203200 -193.592 -196.662 73.7693 0.0444786 0.176134 43.2036 249.16 64.4719 141.966 PRESSAVG: 203200 -12.3757 -47.3792 40.5875 -47.3792 60.6199 45.6892 40.5875 45.6892 -8.71807 GPRESSAVG: 203200 -12.6497 -45.4222 40.0736 -49.6643 61.2013 45.9788 40.8105 45.6701 -9.35436 TIMING: 203200 CPU: 639.117, 0.00314584/step Wall: 639.117, 0.00314584/step, 4.19165 hours remaining, 231.460938 MB of memory in use. ENERGY: 203200 4016.3041 20515.1314 14445.7502 214.6548 -203260.5571 2543.8636 0.0000 0.0000 51941.7193 -109583.1337 298.5098 -161524.8530 -109222.7867 299.1436 -47.3353 -17.1499 760354.5101 13.1754 13.0657 PRESSURE: 203400 -160.482 79.5415 -149.344 79.5409 4.37314 172.686 -149.344 172.685 287.088 GPRESSURE: 203400 -72.3488 43.9893 -26.1671 109.836 11.1065 171.706 -236.537 126.281 272.733 PRESSAVG: 203400 7.08977 -17.5282 7.67084 -17.5281 -42.6301 37.826 7.67085 37.8261 7.51544 GPRESSAVG: 203400 8.2136 -20.9767 7.06002 -14.1451 -43.8291 36.5732 8.76502 39.6193 7.81524 TIMING: 203400 CPU: 639.743, 0.00313177/step Wall: 639.743, 0.00313177/step, 4.17274 hours remaining, 231.460938 MB of memory in use. ENERGY: 203400 3999.0885 20533.3653 14389.8277 245.3836 -203713.9697 2750.6021 0.0000 0.0000 52345.4403 -109450.2623 300.8300 -161795.7025 -109094.8273 300.0058 43.6597 70.4970 761746.3622 -9.3416 -9.2668 PRESSURE: 203600 -166.312 29.6203 68.8923 29.6192 -66.1559 93.9625 68.8927 93.9632 -181.019 GPRESSURE: 203600 -149.38 9.99151 105.63 61.197 -52.5719 6.05395 22.7682 29.0341 -125.383 PRESSAVG: 203600 26.7552 -26.1266 8.98943 -26.1266 -14.3175 41.6223 8.9894 41.6223 3.58428 GPRESSAVG: 203600 26.6013 -23.5792 11.3469 -28.4761 -14.2336 42.2277 5.49603 40.1625 3.57456 TIMING: 203600 CPU: 640.372, 0.00314234/step Wall: 640.372, 0.00314234/step, 4.18664 hours remaining, 231.460938 MB of memory in use. ENERGY: 203600 4028.6074 20566.9657 14447.9214 241.2940 -203065.2265 2272.3821 0.0000 0.0000 52060.3648 -109447.6910 299.1916 -161508.0558 -109093.4844 299.3899 -137.8291 -109.1119 762845.1073 5.3407 5.3141 PRESSURE: 203800 528.177 91.7081 -108.736 91.7078 7.51775 -93.9378 -108.737 -93.9368 -340.141 GPRESSURE: 203800 540.208 163.809 -93.6089 146.524 36.9041 -100.018 12.2711 -22.6506 -319.641 PRESSAVG: 203800 23.4384 -2.49455 8.62496 -2.49449 -52.9099 81.4247 8.62494 81.4245 -12.1136 GPRESSAVG: 203800 21.5423 -2.00299 6.61398 -2.27124 -52.9543 81.6842 10.3889 80.7424 -11.0087 TIMING: 203800 CPU: 641.004, 0.00315966/step Wall: 641.004, 0.00315966/step, 4.20955 hours remaining, 231.460938 MB of memory in use. ENERGY: 203800 4002.7666 20419.7320 14397.7934 271.0464 -203293.9946 2642.1076 0.0000 0.0000 52127.1347 -109433.4140 299.5754 -161560.5487 -109073.0513 299.6758 65.1844 85.8235 762363.1357 -13.8617 -14.1402 PRESSURE: 204000 126.798 -61.1483 -253.084 -61.1485 -268.683 85.9854 -253.084 85.9859 -124.312 GPRESSURE: 204000 172.88 -124.242 -323.12 -11.5884 -214.209 168.304 -166.158 64.8633 -135.803 PRESSAVG: 204000 42.6899 35.8289 -7.28826 35.8288 -30.8093 54.906 -7.28825 54.9059 -7.79431 GPRESSAVG: 204000 44.1573 34.2779 -7.35723 38.0058 -31.034 55.4419 -7.26126 55.2741 -9.1473 TIMING: 204000 CPU: 641.632, 0.00314362/step Wall: 641.632, 0.00314362/step, 4.18801 hours remaining, 231.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 204000 4026.7987 20735.3544 14333.4988 244.1880 -203206.9117 2491.4014 0.0000 0.0000 52056.7646 -109318.9058 299.1709 -161375.6704 -108972.0858 299.3146 -88.7325 -59.0441 761235.4627 1.3621 1.3253 PRESSURE: 204200 -294.521 -114.804 -23.6835 -114.804 -130.152 23.3604 -23.6829 23.3601 175.135 GPRESSURE: 204200 -321.827 -90.7889 -42.4399 -32.2006 64.0831 46.4218 2.54503 15.6895 104.012 PRESSAVG: 204200 31.4859 -64.9081 16.488 -64.9081 -13.0261 6.28459 16.488 6.28453 -7.54151 GPRESSAVG: 204200 30.541 -62.7901 17.0443 -68.7406 -12.7337 4.83378 17.8347 7.32717 -7.18076 TIMING: 204200 CPU: 642.261, 0.00314367/step Wall: 642.261, 0.00314367/step, 4.18789 hours remaining, 231.460938 MB of memory in use. ENERGY: 204200 3950.5323 20551.9023 14500.1193 239.6843 -203050.3323 2219.4703 0.0000 0.0000 52113.9014 -109474.7224 299.4993 -161588.6238 -109109.2770 299.6216 -83.1796 -51.2439 761184.9365 3.6394 3.5422 LDB: ============= START OF LOAD BALANCING ============== 654.66 LDB: ============== END OF LOAD BALANCING =============== 654.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 654.662 LDB: ============= START OF LOAD BALANCING ============== 654.981 LDB: Largest compute 7045 load 0.030810 is 15.8% of average load 0.195585 LDB: Average compute 0.004374 is 2.2% of average load 0.195585 LDB: TIME 654.984 LOAD: AVG 0.195585 MAX 0.213323 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.258 MB LDB: TIME 654.985 LOAD: AVG 0.195585 MAX 0.213323 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.258 MB LDB: TIME 654.985 LOAD: AVG 0.195585 MAX 0.213323 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.258 MB LDB: ============== END OF LOAD BALANCING =============== 654.987 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 654.992 PRESSURE: 204400 -28.5004 -162.413 230.454 -162.412 -36.3503 -13.4358 230.453 -13.4356 73.9412 GPRESSURE: 204400 124.305 -111.938 177.58 -247.273 -66.6832 2.29533 190.138 -201.777 33.9727 PRESSAVG: 204400 8.48996 -17.2517 2.96083 -17.2517 6.65766 14.0697 2.96073 14.0697 23.4414 GPRESSAVG: 204400 8.05281 -19.1874 2.40058 -13.9751 6.85703 14.8982 2.21976 11.9361 23.6508 TIMING: 204400 CPU: 642.909, 0.0032408/step Wall: 642.909, 0.0032408/step, 4.31711 hours remaining, 232.277344 MB of memory in use. ENERGY: 204400 3995.7668 20504.0470 14501.4936 248.1713 -203329.1475 2594.8025 0.0000 0.0000 51986.7214 -109498.1449 298.7684 -161484.8663 -109139.2054 299.3748 3.0301 30.5316 761036.5119 12.8630 12.8536 PRESSURE: 204600 17.7598 182.26 217.174 182.261 -293.815 87.8242 217.174 87.8244 -181.908 GPRESSURE: 204600 105.567 160.086 250.528 259.329 -244.293 83.8023 68.3166 118.938 -230.933 PRESSAVG: 204600 -8.41002 -38.4678 17.556 -38.4678 25.2499 40.7939 17.556 40.7938 2.63361 GPRESSAVG: 204600 -7.09379 -37.0103 17.4712 -39.8162 24.0084 41.4612 16.399 41.9084 2.76379 TIMING: 204600 CPU: 643.541, 0.00316023/step Wall: 643.541, 0.00316023/step, 4.2096 hours remaining, 232.410156 MB of memory in use. ENERGY: 204600 3987.1133 20555.0908 14417.1276 245.9943 -203198.6237 2242.7990 0.0000 0.0000 51996.4245 -109754.0743 298.8242 -161750.4987 -109401.1369 298.8621 -152.6544 -123.2197 761579.7225 6.4912 6.5595 PRESSURE: 204800 103.787 175.878 -313.973 175.878 -245.604 -175.132 -313.972 -175.133 254.985 GPRESSURE: 204800 156.966 159.468 -262.604 281.147 -211.537 -104.143 -207.803 -234.414 255.292 PRESSAVG: 204800 27.1071 -23.4489 -77.6642 -23.4489 -55.4673 43.8953 -77.6642 43.8954 -4.81431 GPRESSAVG: 204800 25.0936 -24.4057 -78.0398 -22.5253 -52.677 43.8634 -75.7172 46.1523 -5.5761 TIMING: 204800 CPU: 644.172, 0.00315323/step Wall: 644.172, 0.00315323/step, 4.20011 hours remaining, 232.550781 MB of memory in use. ENERGY: 204800 3923.8149 20527.5698 14448.0609 265.7827 -203581.5949 2606.6076 0.0000 0.0000 52151.4974 -109658.2616 299.7154 -161809.7590 -109301.4238 299.0108 37.7226 66.9070 760357.7295 -11.0582 -11.0532 PRESSURE: 205000 59.1405 -84.9705 -29.1709 -84.9707 -73.46 -101.4 -29.1703 -101.402 70.4555 GPRESSURE: 205000 49.2569 -79.3296 -6.91604 -33.5546 -25.3976 -135.221 -108.849 -104.814 111.065 PRESSAVG: 205000 33.3471 -2.3458 -9.16866 -2.34577 -6.14131 15.046 -9.16865 15.0461 14.6568 GPRESSAVG: 205000 34.1192 -2.24471 -9.77418 -2.83415 -8.5623 15.2039 -9.90128 13.7269 15.2648 TIMING: 205000 CPU: 644.805, 0.00316596/step Wall: 644.805, 0.00316596/step, 4.21688 hours remaining, 232.550781 MB of memory in use. ENERGY: 205000 4018.7485 20520.3684 14415.4277 256.8906 -203452.4113 2489.3894 0.0000 0.0000 52053.4097 -109698.1771 299.1517 -161751.5867 -109332.7860 299.2281 18.7120 44.9746 760241.2038 13.9542 13.6072 PRESSURE: 205200 276.314 206.76 -112.93 206.76 135.961 -36.2631 -112.93 -36.2645 -136.206 GPRESSURE: 205200 257.564 136.507 -54.8693 125.847 275.097 -70.5425 -174.672 109.469 -178.519 PRESSAVG: 205200 16.4525 -9.28832 1.81876 -9.28832 28.5605 58.5677 1.81877 58.5677 -4.57595 GPRESSAVG: 205200 15.4816 -10.5346 2.02878 -10.3482 29.4324 56.5478 1.48677 58.1816 -4.36357 TIMING: 205200 CPU: 645.431, 0.00313056/step Wall: 645.431, 0.00313056/step, 4.16956 hours remaining, 232.550781 MB of memory in use. ENERGY: 205200 4041.2667 20406.4127 14362.0460 243.1749 -203346.5735 2400.0696 0.0000 0.0000 52131.2970 -109762.3065 299.5993 -161893.6035 -109395.1132 298.8463 92.0231 118.0471 759827.5413 13.4790 13.5168 PRESSURE: 205400 60.3562 -100.73 -137.427 -100.73 195.512 -35.2217 -137.427 -35.2218 5.30872 GPRESSURE: 205400 3.42532 -78.2981 -61.5682 -67.1091 219.817 -98.6328 -44.0576 -0.84004 110.815 PRESSAVG: 205400 -20.4362 27.7035 -15.4368 27.7035 26.517 -30.0331 -15.4368 -30.0332 6.04872 GPRESSAVG: 205400 -20.3729 29.4838 -14.6598 28.1395 25.5382 -28.8166 -15.3296 -29.2602 6.39672 TIMING: 205400 CPU: 646.057, 0.00313086/step Wall: 646.057, 0.00313086/step, 4.16978 hours remaining, 232.550781 MB of memory in use. ENERGY: 205400 3895.4407 20359.8218 14383.1680 237.6000 -203378.3116 2445.0356 0.0000 0.0000 52053.3371 -110003.9085 299.1512 -162057.2456 -109642.3209 298.7279 87.0591 111.3523 760482.1885 4.0432 3.8540 PRESSURE: 205600 44.5403 28.7534 -42.9213 28.7538 54.1059 236.638 -42.9209 236.638 517.51 GPRESSURE: 205600 85.9761 103.349 -85.9271 -50.2101 74.3625 178.17 70.9638 178.499 508.837 PRESSAVG: 205600 -49.9575 35.2618 -34.5465 35.2618 81.6751 -31.7654 -34.5464 -31.7655 -23.6301 GPRESSAVG: 205600 -48.3313 37.6526 -34.5876 35.3251 80.2895 -31.4085 -35.5249 -32.0598 -24.2216 TIMING: 205600 CPU: 646.684, 0.00313346/step Wall: 646.684, 0.00313346/step, 4.17307 hours remaining, 232.550781 MB of memory in use. ENERGY: 205600 4031.4982 20457.2653 14357.8331 224.6138 -203824.1574 2667.1996 0.0000 0.0000 52082.3382 -110003.4092 299.3179 -162085.7474 -109637.8315 298.5877 205.3853 223.0586 760237.8406 2.6958 2.5788 PRESSURE: 205800 167.792 -108.055 -41.4769 -108.054 204.909 160.112 -41.4772 160.111 -178.86 GPRESSURE: 205800 233.635 -78.2155 -75.4501 -32.2645 212.975 101.82 -86.4869 233.174 -148.263 PRESSAVG: 205800 -11.8664 28.238 -2.75208 28.238 34.3115 61.8183 -2.75207 61.8183 10.5588 GPRESSAVG: 205800 -13.6476 26.2567 -2.81616 28.0064 35.6985 61.967 -2.2983 60.8972 11.4877 TIMING: 205800 CPU: 647.313, 0.00314308/step Wall: 647.313, 0.00314308/step, 4.18571 hours remaining, 232.550781 MB of memory in use. ENERGY: 205800 4017.6848 20487.8540 14436.7819 236.9558 -203711.0119 2721.8367 0.0000 0.0000 52035.1502 -109774.7486 299.0467 -161809.8988 -109410.5754 298.8484 64.6137 99.4490 760531.0151 11.0013 11.1795 PRESSURE: 206000 -267.445 262.032 -29.144 262.033 128.124 206.345 -29.1433 206.345 -121.987 GPRESSURE: 206000 -148.929 247.516 -124.395 234.193 106.991 179.174 25.1156 199.872 -125.008 PRESSAVG: 206000 -58.1583 -0.687151 6.94578 -0.687184 39.3189 59.2558 6.94585 59.2558 3.46125 GPRESSAVG: 206000 -57.0956 -1.09177 4.91678 -0.413511 38.9414 59.8643 7.63401 59.4816 2.78306 TIMING: 206000 CPU: 647.94, 0.00313765/step Wall: 647.94, 0.00313765/step, 4.1783 hours remaining, 232.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 206000 3949.9451 20426.9344 14343.4523 233.9802 -203141.1216 2359.2449 0.0000 0.0000 52230.2508 -109597.3140 300.1680 -161827.5648 -109230.9789 299.4491 -87.1025 -55.6487 761464.3916 -5.1260 -5.1237 PRESSURE: 206200 -233.076 -8.76353 -109.953 -8.76269 173.415 53.6867 -109.953 53.6857 -342.733 GPRESSURE: 206200 -150.541 103.162 -179.946 -9.80587 149.565 -11.2693 56.7873 56.1457 -296.429 PRESSAVG: 206200 -80.5214 12.4637 16.3079 12.4636 63.5144 13.6187 16.3079 13.6187 3.62736 GPRESSAVG: 206200 -80.8355 13.5301 18.5454 12.0774 62.8177 12.0356 16.2531 16.3351 4.48367 TIMING: 206200 CPU: 648.565, 0.00312372/step Wall: 648.565, 0.00312372/step, 4.15958 hours remaining, 232.550781 MB of memory in use. ENERGY: 206200 3975.7285 20465.7548 14392.4597 250.8092 -202961.3918 2466.8553 0.0000 0.0000 51916.5332 -109493.2510 298.3650 -161409.7842 -109134.5719 299.7897 -134.1309 -99.1350 761561.7489 -4.4599 -4.5114 PRESSURE: 206400 -142.249 -101.021 -21.2824 -101.02 -60.4624 -64.9512 -21.2827 -64.9517 58.7805 GPRESSURE: 206400 36.7187 -163.365 -66.2755 0.320931 -10.6315 -7.27738 -73.7205 -50.1118 -60.4788 PRESSAVG: 206400 7.33409 3.13875 -31.4657 3.13874 45.4758 14.897 -31.4658 14.8971 -21.0014 GPRESSAVG: 206400 7.91405 1.45515 -31.5418 4.40381 46.5754 16.0699 -32.2582 14.5382 -22.6375 TIMING: 206400 CPU: 649.189, 0.00311792/step Wall: 649.189, 0.00311792/step, 4.15169 hours remaining, 232.550781 MB of memory in use. ENERGY: 206400 3932.9325 20412.8376 14466.7648 242.0246 -203190.7052 2326.1537 0.0000 0.0000 52023.2143 -109786.7777 298.9781 -161809.9920 -109422.5583 299.2368 -47.9768 -11.4638 760782.1606 10.6028 10.6173 PRESSURE: 206600 13.618 -25.194 -147.318 -25.1927 178.59 10.8998 -147.319 10.8999 17.8558 GPRESSURE: 206600 92.1615 -3.85699 -219.361 78.7043 182.659 -45.2791 -100.373 47.5634 13.5786 PRESSAVG: 206600 41.0044 14.917 -48.1945 14.917 -33.8204 0.971192 -48.1945 0.971218 8.86878 GPRESSAVG: 206600 41.3194 16.7645 -49.2638 13.2526 -34.9685 0.281235 -48.0718 0.679886 9.96849 TIMING: 206600 CPU: 649.819, 0.00315274/step Wall: 649.819, 0.00315274/step, 4.19787 hours remaining, 232.550781 MB of memory in use. ENERGY: 206600 3907.1320 20369.7661 14406.0747 261.3827 -203168.4569 2506.1889 0.0000 0.0000 52013.1562 -109704.7563 298.9203 -161717.9125 -109344.2085 298.8894 70.0214 96.1329 760651.3950 5.3509 5.4398 PRESSURE: 206800 -218.596 50.7554 -2.66755 50.7554 120.885 107.413 -2.66763 107.412 160.478 GPRESSURE: 206800 -141.654 -104.533 -13.053 34.3436 201.933 74.6642 68.7356 127.193 82.6917 PRESSAVG: 206800 28.7792 -49.7924 -33.0336 -49.7924 -8.08716 79.2557 -33.0335 79.2557 -0.840649 GPRESSAVG: 206800 28.3889 -51.8041 -32.4526 -48.3675 -7.47717 79.9271 -32.5598 79.4515 -0.647287 TIMING: 206800 CPU: 650.449, 0.00315121/step Wall: 650.449, 0.00315121/step, 4.19567 hours remaining, 232.550781 MB of memory in use. ENERGY: 206800 4008.0284 20562.4907 14380.5535 266.8134 -203043.4691 2458.5427 0.0000 0.0000 52019.1583 -109347.8820 298.9548 -161367.0404 -108990.5444 299.4217 20.9223 47.6568 760165.7254 6.6171 6.7548 PRESSURE: 207000 182.24 136.667 -77.0172 136.667 103.16 41.6988 -77.0166 41.6991 98.543 GPRESSURE: 207000 203.189 117.487 -65.7177 7.6016 149.898 54.4399 -82.5178 -85.1989 99.4526 PRESSAVG: 207000 12.2028 -21.7771 -15.7973 -21.7771 -14.5998 -42.2729 -15.7973 -42.2728 35.8322 GPRESSAVG: 207000 13.9259 -20.2672 -17.1756 -24.4357 -15.5803 -41.6935 -15.1891 -43.2458 35.3925 TIMING: 207000 CPU: 651.078, 0.00314125/step Wall: 651.078, 0.00314124/step, 4.18222 hours remaining, 232.550781 MB of memory in use. ENERGY: 207000 4045.1300 20389.8533 14392.8602 256.4859 -203330.4745 2637.0755 0.0000 0.0000 52183.1601 -109425.9094 299.8973 -161609.0695 -109069.0303 300.2014 127.9811 150.8467 759731.8381 11.1450 11.2460 PRESSURE: 207200 -50.6738 121.922 -0.636614 121.922 -9.67222 22.3417 -0.637003 22.3432 -119.987 GPRESSURE: 207200 -7.89832 100.847 -25.6052 184.431 75.9792 23.4308 -106.497 39.5476 -165.51 PRESSAVG: 207200 17.2899 -5.14348 -19.3783 -5.14348 18.4669 16.574 -19.3783 16.574 -18.1048 GPRESSAVG: 207200 16.4503 -6.1884 -17.9606 -4.99906 19.0358 15.2884 -20.3885 16.6382 -17.9826 TIMING: 207200 CPU: 651.708, 0.00315431/step Wall: 651.708, 0.00315431/step, 4.19944 hours remaining, 232.753906 MB of memory in use. ENERGY: 207200 4028.9605 20516.9701 14473.5835 248.8082 -202867.5043 2360.7023 0.0000 0.0000 52119.5936 -109118.8860 299.5320 -161238.4795 -108762.0740 300.0973 -60.1110 -32.4764 761156.6519 5.8840 5.8345 PRESSURE: 207400 140.626 -3.30544 193.772 -3.30395 -9.76937 -132.591 193.772 -132.592 65.0646 GPRESSURE: 207400 169.806 21.0666 244.279 -48.3317 30.9849 -99.3894 74.5538 12.001 81.5558 PRESSAVG: 207400 -59.287 -27.9534 -15.0765 -27.9534 31.8175 13.3595 -15.0764 13.3596 1.87559 GPRESSAVG: 207400 -58.4958 -25.5654 -14.8091 -25.8804 31.2459 12.1307 -16.2091 13.7743 1.68165 TIMING: 207400 CPU: 652.34, 0.00315698/step Wall: 652.34, 0.00315698/step, 4.20282 hours remaining, 232.753906 MB of memory in use. ENERGY: 207400 3927.8796 20674.5096 14402.3218 249.8872 -203095.2135 2409.6490 0.0000 0.0000 52174.6532 -109256.3131 299.8484 -161430.9663 -108892.6797 299.9570 65.3072 94.1156 762124.4066 -8.5313 -8.5227 PRESSURE: 207600 -572.927 130.918 -97.485 130.918 -203.54 113.456 -97.4856 113.456 -113.897 GPRESSURE: 207600 -520.278 94.6496 -110.803 166.079 -144.872 79.32 -70.8456 216.972 -131.784 PRESSAVG: 207600 55.4459 -49.663 -20.0976 -49.663 -52.4525 -25.1085 -20.0976 -25.1085 -5.95058 GPRESSAVG: 207600 55.3662 -51.0119 -19.7417 -50.488 -53.3526 -23.8502 -20.0289 -22.9789 -5.05018 TIMING: 207600 CPU: 652.969, 0.00314803/step Wall: 652.969, 0.00314803/step, 4.19072 hours remaining, 232.753906 MB of memory in use. ENERGY: 207600 4015.3727 20642.4214 14403.0352 242.1085 -203045.1626 2269.4709 0.0000 0.0000 52330.5289 -109142.2250 300.7443 -161472.7539 -108779.9143 300.2382 -296.7879 -265.6446 762534.0022 -0.9857 -1.0122 PRESSURE: 207800 -38.8302 -161.26 -174.093 -161.259 -163.06 172.513 -174.093 172.514 -573.87 GPRESSURE: 207800 -54.5113 -44.8557 -74.3712 -139.37 -212.819 161.288 -115.961 131.67 -433.829 PRESSAVG: 207800 9.40853 -52.8182 -5.87987 -52.8182 4.11342 24.3645 -5.87991 24.3645 -13.4085 GPRESSAVG: 207800 8.64346 -52.2761 -5.01028 -52.5155 5.51999 26.4246 -5.56359 21.9633 -14.4777 TIMING: 207800 CPU: 653.6, 0.00315507/step Wall: 653.6, 0.00315507/step, 4.19993 hours remaining, 232.753906 MB of memory in use. ENERGY: 207800 3955.3991 20822.8472 14377.8094 239.2601 -203352.4469 2532.8511 0.0000 0.0000 52299.2325 -109125.0476 300.5644 -161424.2800 -108761.6698 300.9109 -258.5867 -233.7197 760578.8072 0.0378 -0.1048 PRESSURE: 208000 -119.403 -41.6944 223.129 -41.6937 127.994 -30.0496 223.128 -30.0492 47.6856 GPRESSURE: 208000 -18.2057 -44.4247 184.686 37.9241 64.8209 -88.4956 125.788 -102.94 92.6139 PRESSAVG: 208000 21.3087 -10.6186 16.6797 -10.6186 -19.9369 18.2543 16.6796 18.2542 -2.70762 GPRESSAVG: 208000 20.9881 -11.2036 15.1794 -9.36541 -20.2368 17.7351 16.119 16.9537 -2.13474 TIMING: 208000 CPU: 654.226, 0.00312672/step Wall: 654.226, 0.00312672/step, 4.16202 hours remaining, 232.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 208000 3947.0488 20523.8284 14490.8814 242.7045 -203571.4611 2690.8895 0.0000 0.0000 52328.0509 -109348.0575 300.7300 -161676.1085 -108986.6485 300.5735 18.7589 46.4097 760800.1116 -0.4453 -0.4611 PRESSURE: 208200 404.396 -152.224 138.682 -152.224 71.9077 -10.9053 138.683 -10.9056 -90.6328 GPRESSURE: 208200 391.923 14.3786 146.625 -80.7014 207.194 -43.702 56.6729 53.386 -114.783 PRESSAVG: 208200 -6.76455 -29.9502 -4.29778 -29.9502 -39.7634 61.5976 -4.29779 61.5976 9.6527 GPRESSAVG: 208200 -6.48508 -29.574 -2.07928 -29.9997 -38.6379 59.8502 -5.24181 62.2948 8.88487 TIMING: 208200 CPU: 654.852, 0.00313282/step Wall: 654.852, 0.00313282/step, 4.16996 hours remaining, 232.753906 MB of memory in use. ENERGY: 208200 3946.0802 20544.5261 14501.4768 258.8426 -203779.4667 2910.7303 0.0000 0.0000 52380.5976 -109237.2130 301.0320 -161617.8106 -108871.6203 299.9266 128.5569 161.4443 758775.3900 -12.2918 -12.0794 LDB: ============= START OF LOAD BALANCING ============== 667.253 LDB: ============== END OF LOAD BALANCING =============== 667.254 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 667.255 LDB: ============= START OF LOAD BALANCING ============== 667.569 LDB: Largest compute 7026 load 0.032230 is 16.5% of average load 0.195560 LDB: Average compute 0.004411 is 2.3% of average load 0.195560 LDB: TIME 667.573 LOAD: AVG 0.19556 MAX 0.215109 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.703 MB LDB: TIME 667.573 LOAD: AVG 0.19556 MAX 0.215109 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.703 MB LDB: TIME 667.573 LOAD: AVG 0.19556 MAX 0.215109 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.703 MB LDB: ============== END OF LOAD BALANCING =============== 667.575 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 667.58 PRESSURE: 208400 -706.275 -39.293 -23.3152 -39.2921 -447.176 141.414 -23.3145 141.413 -140.484 GPRESSURE: 208400 -693.762 7.89399 -13.1239 -34.2034 -377.149 82.3357 52.4231 81.3756 -126.006 PRESSAVG: 208400 37.4672 -44.5241 30.9222 -44.5241 -27.4808 65.5329 30.9222 65.533 -7.92229 GPRESSAVG: 208400 38.2535 -45.2273 27.8403 -43.7175 -28.6348 66.6795 33.4396 67.1862 -7.65848 TIMING: 208400 CPU: 655.497, 0.0032252/step Wall: 655.497, 0.0032252/step, 4.29274 hours remaining, 231.500000 MB of memory in use. ENERGY: 208400 4035.6522 20561.4303 14447.9461 231.5050 -202710.3963 2044.1373 0.0000 0.0000 52005.1648 -109384.5605 298.8744 -161389.7254 -109025.1305 300.3308 -431.3117 -398.9723 761881.6063 0.6881 0.6534 PRESSURE: 208600 106.315 -23.426 -188.836 -23.4257 -156.655 -88.2424 -188.836 -88.2427 -153.802 GPRESSURE: 208600 120.642 -115.435 -248.374 -16.3691 -94.1701 -70.5116 -116.033 -79.0102 -131.97 PRESSAVG: 208600 -14.3983 -56.1386 -1.56708 -56.1386 -4.26297 -6.15082 -1.56705 -6.15089 8.39501 GPRESSAVG: 208600 -14.6385 -55.693 -0.776894 -56.1691 -3.95923 -4.7662 -0.862172 -6.47999 9.3193 TIMING: 208600 CPU: 656.126, 0.00314083/step Wall: 656.126, 0.00314083/step, 4.18027 hours remaining, 231.703125 MB of memory in use. ENERGY: 208600 3958.9288 20432.1588 14463.9785 262.2911 -203413.9006 2351.8551 0.0000 0.0000 52366.7690 -109577.9192 300.9525 -161944.6882 -109222.4686 300.1988 -68.0471 -35.1663 760046.6662 -3.4221 -3.0928 PRESSURE: 208800 326.27 31.2844 312.044 31.2846 137.936 33.1948 312.045 33.1941 -81.4186 GPRESSURE: 208800 260.55 34.2488 214.218 -139.209 274.714 -96.3531 160.139 -0.788139 -64.419 PRESSAVG: 208800 37.8195 -0.603075 50.604 -0.603095 -18.385 -29.2413 50.604 -29.2413 28.8404 GPRESSAVG: 208800 37.7405 -0.748601 51.4489 -1.78406 -16.697 -32.4334 47.8612 -28.8984 27.5042 TIMING: 208800 CPU: 656.755, 0.00314773/step Wall: 656.755, 0.00314773/step, 4.18928 hours remaining, 231.703125 MB of memory in use. ENERGY: 208800 3963.8901 20597.3004 14426.9892 235.9772 -203267.4094 2496.7931 0.0000 0.0000 52039.7389 -109506.7205 299.0731 -161546.4594 -109141.6268 299.4331 127.5958 156.9484 760779.1357 16.0917 16.1826 PRESSURE: 209000 74.2409 113.592 -34.9725 113.593 263.985 110.984 -34.9715 110.985 132.732 GPRESSURE: 209000 103.138 172.134 -43.4999 12.1471 342.63 61.7262 -34.9097 167.004 107.086 PRESSAVG: 209000 3.98194 -31.6391 38.4177 -31.6391 -24.4119 34.601 38.4178 34.6011 -4.41934 GPRESSAVG: 209000 4.75153 -32.8277 37.9272 -29.1262 -24.6467 35.1387 38.2617 34.3509 -5.03929 TIMING: 209000 CPU: 657.389, 0.00316712/step Wall: 657.389, 0.00316712/step, 4.21491 hours remaining, 231.703125 MB of memory in use. ENERGY: 209000 3962.2962 20502.6687 14367.4196 248.4357 -203424.7585 2381.4221 0.0000 0.0000 52360.0631 -109602.4531 300.9140 -161962.5162 -109243.0897 299.6340 156.9862 184.2845 760575.4170 -8.2831 -8.3115 PRESSURE: 209200 425.297 -242.614 -20.4935 -242.614 198.812 -148.598 -20.4936 -148.598 -29.0252 GPRESSURE: 209200 423.347 -135.461 -33.8321 -187.221 224.577 -108.981 -18.0293 42.3576 35.1567 PRESSAVG: 209200 -10.7904 -22.4321 -11.2457 -22.4321 -21.2548 10.3761 -11.2457 10.3761 -0.221202 GPRESSAVG: 209200 -10.8274 -21.8678 -10.9307 -23.5635 -23.9172 9.57628 -10.5715 10.8175 2.43003 TIMING: 209200 CPU: 658.018, 0.00314861/step Wall: 658.018, 0.00314861/step, 4.1901 hours remaining, 231.703125 MB of memory in use. ENERGY: 209200 3926.6489 20591.5695 14478.5104 252.8471 -203501.1377 2823.5178 0.0000 0.0000 51949.3467 -109478.6972 298.5536 -161428.0440 -109119.5916 299.8098 198.3610 227.6936 761005.2439 -10.7555 -10.7715 PRESSURE: 209400 -39.5905 -31.0028 -138.016 -31.0027 97.375 -105.362 -138.016 -105.363 -57.9009 GPRESSURE: 209400 45.5842 -22.0342 -145.616 -143.569 63.3426 -71.8745 28.2526 -11.6009 -33.7731 PRESSAVG: 209400 75.1403 -10.4919 12.3631 -10.4919 -9.66853 11.8238 12.3631 11.8238 15.2353 GPRESSAVG: 209400 76.4791 -10.6819 11.5738 -11.2442 -9.35166 12.1536 13.6312 12.3603 13.573 TIMING: 209400 CPU: 658.643, 0.00312371/step Wall: 658.643, 0.00312371/step, 4.15679 hours remaining, 231.703125 MB of memory in use. ENERGY: 209400 3963.6743 20485.3545 14471.6843 246.7575 -203188.5431 2405.9875 0.0000 0.0000 51981.0575 -109634.0275 298.7359 -161615.0850 -109272.2549 299.9072 -0.0388 25.0512 760429.6655 26.9024 26.9001 PRESSURE: 209600 125.152 17.4742 80.152 17.4738 71.5659 261.055 80.1528 261.055 46.8939 GPRESSURE: 209600 188.325 27.1605 3.38428 55.7358 68.5153 242.347 -33.5291 216.628 69.6542 PRESSAVG: 209600 -26.7442 -51.7286 14.2797 -51.7286 8.79154 -15.9531 14.2797 -15.9531 -14.4664 GPRESSAVG: 209600 -28.723 -52.3667 14.8507 -50.8525 10.3649 -14.3389 15.8854 -17.0099 -14.2141 TIMING: 209600 CPU: 659.267, 0.00312047/step Wall: 659.267, 0.00312047/step, 4.1523 hours remaining, 231.703125 MB of memory in use. ENERGY: 209600 4070.5834 20466.6122 14458.9963 259.9833 -203430.9134 2401.4494 0.0000 0.0000 52419.1514 -109354.1374 301.2536 -161773.2889 -108985.5240 300.2689 81.2041 108.8316 759002.6731 -10.8063 -10.8574 PRESSURE: 209800 201.621 178.176 -56.2298 178.176 185.547 135.868 -56.23 135.869 -18.6799 GPRESSURE: 209800 221.658 212.04 -53.6127 174.163 248.488 82.5866 -45.3529 186.616 -11.4418 PRESSAVG: 209800 15.8367 9.24533 38.5725 9.24535 -4.43912 29.0905 38.5724 29.0905 6.23717 GPRESSAVG: 209800 17.1167 11.5687 39.6043 7.82766 -5.60758 27.4178 34.0239 29.0984 5.80278 TIMING: 209800 CPU: 659.9, 0.00316703/step Wall: 659.9, 0.00316704/step, 4.21409 hours remaining, 231.703125 MB of memory in use. ENERGY: 209800 3987.7917 20624.1779 14518.8521 226.6899 -203523.7453 2727.9068 0.0000 0.0000 51998.4056 -109439.9214 298.8356 -161438.3270 -109082.6822 299.6687 122.8294 152.9012 759274.0520 5.8782 5.7706 PRESSURE: 210000 37.7539 -17.7337 -85.8366 -17.7336 -227.624 34.54 -85.8361 34.5405 -244.005 GPRESSURE: 210000 -31.205 -33.3131 -48.8345 -66.1179 -73.6433 87.6792 -8.18786 9.38233 -233.897 PRESSAVG: 210000 54.2785 -6.25331 18.5796 -6.25329 6.60434 -20.7176 18.5796 -20.7175 9.65411 GPRESSAVG: 210000 52.8007 -6.47158 18.3257 -5.32247 8.34903 -19.9944 19.4374 -21.7776 9.43945 TIMING: 210000 CPU: 660.529, 0.003145/step Wall: 660.529, 0.003145/step, 4.1846 hours remaining, 231.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 210000 3947.0438 20567.3069 14423.4644 260.8368 -203386.2978 2382.2289 0.0000 0.0000 52290.1966 -109515.2204 300.5125 -161805.4170 -109151.6807 299.7795 -144.6253 -112.9152 760596.8587 23.5123 23.5297 PRESSURE: 210200 -77.5142 19.7513 155.397 19.7519 -330.097 -114.554 155.397 -114.554 -237.741 GPRESSURE: 210200 51.6344 16.5102 158.933 14.083 -310.013 -168.83 59.092 -131.446 -303.773 PRESSAVG: 210200 -38.1978 -20.2406 6.94472 -20.2407 18.2517 -32.7258 6.94478 -32.7257 5.29623 GPRESSAVG: 210200 -37.2418 -20.4335 5.70328 -20.0608 17.5025 -31.5351 9.40166 -33.224 4.64654 TIMING: 210200 CPU: 661.159, 0.00315007/step Wall: 661.159, 0.00315007/step, 4.19116 hours remaining, 231.703125 MB of memory in use. ENERGY: 210200 3897.7802 20678.8993 14446.8088 265.2007 -203163.2033 2130.3981 0.0000 0.0000 52113.5352 -109630.5809 299.4972 -161744.1161 -109276.1379 299.7797 -215.1174 -187.3839 759899.0202 -4.8833 -5.0309 PRESSURE: 210400 145.317 210.46 209.758 210.46 -128.298 -62.7168 209.759 -62.7176 -17.7186 GPRESSURE: 210400 166.255 86.5021 176.871 161.054 -91.1739 -96.7061 234.093 45.4032 -8.92154 PRESSAVG: 210400 30.9185 -10.4815 42.024 -10.4815 8.96048 -47.5037 42.0241 -47.5038 -13.6138 GPRESSAVG: 210400 30.1667 -10.9271 43.4196 -12.7073 9.18575 -50.8263 40.7542 -46.4488 -13.6235 TIMING: 210400 CPU: 661.786, 0.00313096/step Wall: 661.786, 0.00313097/step, 4.16558 hours remaining, 231.703125 MB of memory in use. ENERGY: 210400 3986.2474 20471.0690 14439.9640 257.5546 -203274.2389 2343.8966 0.0000 0.0000 52119.1960 -109656.3113 299.5297 -161775.5073 -109294.4897 299.6739 -0.2332 22.0533 760048.9405 8.7551 8.5763 PRESSURE: 210600 -275.534 75.5546 109.534 75.555 -308.988 18.6613 109.535 18.6617 -299.964 GPRESSURE: 210600 -254.167 57.0007 123.73 25.9633 -239.519 97.8393 19.3555 -20.395 -301.714 PRESSAVG: 210600 -91.1646 -12.9139 -18.9393 -12.9139 33.4473 -38.2466 -18.9393 -38.2467 -6.26662 GPRESSAVG: 210600 -92.2006 -14.0057 -18.8561 -11.2507 33.746 -36.2669 -19.1664 -37.3636 -5.13155 TIMING: 210600 CPU: 662.413, 0.00313868/step Wall: 662.413, 0.00313868/step, 4.17567 hours remaining, 231.703125 MB of memory in use. ENERGY: 210600 3974.3761 20555.7020 14415.8685 249.9649 -203278.9337 2272.2536 0.0000 0.0000 52139.1063 -109671.6623 299.6442 -161810.7686 -109316.2607 299.5096 -294.8286 -265.1335 759958.8705 -21.3280 -21.1954 PRESSURE: 210800 111.948 73.4152 -270.339 73.4149 95.5582 -23.9277 -270.339 -23.9284 -187.588 GPRESSURE: 210800 91.6168 -17.1639 -286.471 187.779 225.53 -70.0242 -207.681 -42.5245 -210.653 PRESSAVG: 210800 -17.4637 32.7793 -37.0629 32.7792 -28.7322 -15.4073 -37.0628 -15.4073 0.63768 GPRESSAVG: 210800 -17.094 33.4398 -38.3417 32.2463 -28.2538 -15.5118 -34.3946 -18.4394 -0.253178 TIMING: 210800 CPU: 663.044, 0.00315511/step Wall: 663.044, 0.00315511/step, 4.19734 hours remaining, 231.703125 MB of memory in use. ENERGY: 210800 3958.0854 20425.6292 14353.5731 258.5229 -203016.5505 2269.7220 0.0000 0.0000 52209.5255 -109541.4924 300.0489 -161751.0180 -109181.1837 299.4540 6.6395 35.4978 760687.1937 -15.1861 -15.2003 PRESSURE: 211000 -452.838 23.7721 117.941 23.7728 -251.968 -297.069 117.941 -297.069 -218.129 GPRESSURE: 211000 -385.039 23.1238 61.6575 62.1365 -254.579 -300.604 204.481 -144.61 -207.026 PRESSAVG: 211000 -59.0021 20.388 38.0467 20.3879 38.5998 9.39107 38.0467 9.39103 -1.0142 GPRESSAVG: 211000 -57.3027 19.7726 37.453 19.7823 37.1849 9.30824 37.545 12.7405 -1.10457 TIMING: 211000 CPU: 663.675, 0.00315494/step Wall: 663.675, 0.00315494/step, 4.19695 hours remaining, 231.703125 MB of memory in use. ENERGY: 211000 3962.8199 20433.8663 14401.1280 258.4754 -202796.1692 2092.7562 0.0000 0.0000 52053.0230 -109594.1006 299.1494 -161647.1235 -109222.9765 299.4049 -307.6450 -282.2143 760872.0366 -7.1388 -7.0741 PRESSURE: 211200 -191.433 301.338 80.1483 301.338 -61.4662 -109.019 80.148 -109.018 -79.4696 GPRESSURE: 211200 -117.536 182.315 20.2114 291.361 -52.5694 -140.095 219.91 -103.707 -88.4134 PRESSAVG: 211200 -17.3214 43.0677 20.4982 43.0677 29.3292 -23.3183 20.4982 -23.3182 24.2428 GPRESSAVG: 211200 -18.0919 44.0587 23.3531 43.2495 29.2765 -22.7691 19.5657 -25.7987 25.1588 TIMING: 211200 CPU: 664.309, 0.00316729/step Wall: 664.309, 0.00316729/step, 4.21319 hours remaining, 231.703125 MB of memory in use. ENERGY: 211200 3928.2525 20403.9019 14293.7281 272.5993 -203162.8016 2312.2777 0.0000 0.0000 52127.0273 -109825.0149 299.5747 -161952.0422 -109461.3766 298.8140 -110.7897 -86.1728 759183.5105 12.0836 12.1145 PRESSURE: 211400 122.933 81.2898 -105.285 81.2888 47.1437 125.313 -105.285 125.313 -247.933 GPRESSURE: 211400 143.329 -10.6861 -94.6652 67.0562 40.8279 86.8447 -213.165 240.88 -168.837 PRESSAVG: 211400 45.3547 4.51471 7.0332 4.51476 -17.5631 13.5026 7.03321 13.5027 25.5332 GPRESSAVG: 211400 45.6984 4.10179 6.69571 6.1402 -18.0934 13.7731 6.07646 14.972 25.7598 TIMING: 211400 CPU: 664.942, 0.0031664/step Wall: 664.942, 0.0031664/step, 4.21184 hours remaining, 231.703125 MB of memory in use. ENERGY: 211400 4001.3733 20371.2412 14394.8033 253.1473 -203651.0642 2519.8411 0.0000 0.0000 52230.9512 -109879.7068 300.1720 -162110.6580 -109515.1990 298.7913 -25.9520 5.1066 759616.5340 17.7749 17.7883 PRESSURE: 211600 -111.149 -137.667 78.2907 -137.667 60.256 212.105 78.2895 212.106 202.371 GPRESSURE: 211600 -129.419 -247.427 31.7381 -165.156 96.4545 128.174 30.949 234.467 259.05 PRESSAVG: 211600 -2.7222 -45.8604 3.88974 -45.8605 -5.78222 41.2794 3.88971 41.2794 -17.6661 GPRESSAVG: 211600 -2.8068 -45.7789 1.5963 -47.5214 -4.68466 40.8675 4.57916 40.0288 -18.7791 TIMING: 211600 CPU: 665.574, 0.00315746/step Wall: 665.574, 0.00315746/step, 4.19978 hours remaining, 231.703125 MB of memory in use. ENERGY: 211600 4035.5470 20519.7667 14371.5716 240.2295 -203778.3374 2642.7628 0.0000 0.0000 51961.1193 -110007.3405 298.6213 -161968.4598 -109654.9902 298.7162 50.4927 75.3616 757575.5600 -8.7235 -8.7569 PRESSURE: 211800 336.373 4.76687 -37.7342 4.76716 199.973 250.138 -37.7345 250.138 82.1432 GPRESSURE: 211800 407.409 162.784 58.5804 34.24 203.901 240.185 -116.448 210.069 98.218 PRESSAVG: 211800 0.936189 -68.2759 -19.8973 -68.2759 13.3161 -17.9647 -19.8974 -17.9645 19.1524 GPRESSAVG: 211800 -0.00467599 -68.617 -18.225 -67.617 13.4361 -19.2806 -20.2343 -17.7061 20.3189 TIMING: 211800 CPU: 666.205, 0.0031586/step Wall: 666.205, 0.0031586/step, 4.20112 hours remaining, 231.703125 MB of memory in use. ENERGY: 211800 3831.6976 20476.3993 14365.0631 250.7364 -203448.4149 2696.5029 0.0000 0.0000 51920.1567 -109907.8590 298.3859 -161828.0157 -109550.3699 299.1672 206.1630 236.5091 760870.5790 11.1349 11.2501 PRESSURE: 212000 -242.727 -121.075 70.4479 -121.075 217.409 0.337709 70.4479 0.336808 -213.834 GPRESSURE: 212000 -164.412 -188.938 -23.1693 -192.835 166.804 9.97223 160.521 74.2536 -163.457 PRESSAVG: 212000 -15.2547 3.67446 15.2783 3.67451 1.58414 -2.37572 15.2783 -2.37566 4.6495 GPRESSAVG: 212000 -14.2726 5.23266 13.7423 1.87991 1.13648 -2.14018 17.6461 -0.42207 4.52194 TIMING: 212000 CPU: 666.833, 0.00313916/step Wall: 666.833, 0.00313916/step, 4.17509 hours remaining, 231.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 212000 3952.2910 20580.2569 14303.2556 243.6877 -203634.1602 2727.4597 0.0000 0.0000 51941.7857 -109885.4236 298.5102 -161827.2093 -109521.1266 298.8336 -79.7174 -53.6886 760699.0289 -3.0070 -2.8714 PRESSURE: 212200 -56.3947 79.9841 -148.167 79.984 -183.535 295.291 -148.168 295.291 128.849 GPRESSURE: 212200 -14.9126 92.3316 -112.502 24.7398 -138.245 297.377 30.7101 285.766 136.528 PRESSAVG: 212200 30.6084 -7.45626 -25.7007 -7.45618 22.3255 10.9292 -25.7007 10.9292 -16.5931 GPRESSAVG: 212200 31.643 -8.00128 -21.5382 -5.10503 21.0516 12.1166 -28.1233 10.3735 -16.7375 TIMING: 212200 CPU: 667.465, 0.00316036/step Wall: 667.465, 0.00316036/step, 4.2031 hours remaining, 231.703125 MB of memory in use. ENERGY: 212200 3972.1856 20403.5177 14346.0360 241.4445 -203553.9533 2658.8202 0.0000 0.0000 52053.5448 -109878.4044 299.1524 -161931.9492 -109527.1228 298.5943 -37.0271 -5.5430 760084.6392 12.1136 11.9857 LDB: ============= START OF LOAD BALANCING ============== 679.863 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 679.863 LDB: =============== DONE WITH MIGRATION ================ 679.865 LDB: ============= START OF LOAD BALANCING ============== 680.18 LDB: Largest compute 7026 load 0.034738 is 17.8% of average load 0.195581 LDB: Average compute 0.004398 is 2.2% of average load 0.195581 LDB: TIME 680.183 LOAD: AVG 0.195581 MAX 0.216038 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.496 MB LDB: TIME 680.184 LOAD: AVG 0.195581 MAX 0.216038 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: TIME 680.184 LOAD: AVG 0.195581 MAX 0.216038 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 680.186 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 680.191 PRESSURE: 212400 -20.8137 36.1119 223.616 36.112 -86.8363 -148.564 223.616 -148.564 53.4232 GPRESSURE: 212400 20.9698 18.6021 189.309 -91.8202 -54.9972 -97.0931 155.108 -66.9605 73.8479 PRESSAVG: 212400 -8.94873 -8.14086 2.20336 -8.14091 -24.6145 28.184 2.20326 28.1842 -2.72784 GPRESSAVG: 212400 -9.81567 -8.48753 1.34622 -10.9832 -22.6471 29.634 2.48273 25.7359 -3.96929 TIMING: 212400 CPU: 668.108, 0.00321398/step Wall: 668.108, 0.00321398/step, 4.27424 hours remaining, 232.523438 MB of memory in use. ENERGY: 212400 4024.1514 20489.8761 14361.7349 242.6900 -203922.6455 2593.6602 0.0000 0.0000 52300.6240 -109909.9089 300.5724 -162210.5329 -109546.1803 299.3234 -18.0756 13.2735 758841.4571 -12.0970 -12.1440 PRESSURE: 212600 2.66777 48.5087 231.346 48.5082 93.4873 -56.3735 231.346 -56.374 -235.437 GPRESSURE: 212600 74.3924 131.884 172.718 6.3058 59.4969 39.1935 224.508 24.6595 -176.874 PRESSAVG: 212600 -49.4904 5.1879 -5.61278 5.1879 59.5132 -8.91905 -5.61272 -8.91909 -0.68302 GPRESSAVG: 212600 -48.2748 6.13968 -6.38838 8.33493 58.0463 -10.3101 -6.24907 -7.56587 -0.464591 TIMING: 212600 CPU: 668.738, 0.00315138/step Wall: 668.738, 0.00315139/step, 4.19082 hours remaining, 232.726562 MB of memory in use. ENERGY: 212600 3926.0432 20473.5670 14343.8343 260.5321 -203762.3462 2477.9056 0.0000 0.0000 52063.0683 -110217.3957 299.2072 -162280.4640 -109853.9008 299.3243 -46.4273 -14.3282 757754.7925 3.1133 3.1023 PRESSURE: 212800 46.3285 -66.1388 77.2456 -66.1394 -137.105 20.2086 77.2457 20.2078 207.749 GPRESSURE: 212800 -24.0141 -60.9019 83.2852 -8.73505 -16.1182 -19.0973 43.8393 -7.55089 240.463 PRESSAVG: 212800 -47.8617 -23.2491 25.1043 -23.2491 29.0608 -7.46552 25.1044 -7.46553 3.8377 GPRESSAVG: 212800 -49.4467 -22.4046 24.9411 -24.7731 30.1566 -7.70739 26.8726 -8.30121 4.60554 TIMING: 212800 CPU: 669.368, 0.00314758/step Wall: 669.368, 0.00314758/step, 4.18558 hours remaining, 232.726562 MB of memory in use. ENERGY: 212800 3899.2888 20457.2815 14403.6022 238.1507 -203016.6729 2216.3257 0.0000 0.0000 51840.4090 -109961.6150 297.9275 -161802.0240 -109605.7538 298.4874 38.9907 66.7770 759367.3303 -4.9877 -4.8948 PRESSURE: 213000 -256.606 -34.5644 85.8855 -34.5646 -144.98 50.3294 85.8855 50.3282 146.88 GPRESSURE: 213000 -253.623 -49.8361 57.2423 -130.973 -43.331 39.4842 16.2091 217.872 128.745 PRESSAVG: 213000 -68.1333 -24.1786 4.29767 -24.1786 102.261 -67.3561 4.29767 -67.356 1.91244 GPRESSAVG: 213000 -67.3739 -26.0371 5.87381 -22.8537 102.21 -66.081 2.2378 -65.9418 1.0903 TIMING: 213000 CPU: 669.997, 0.00314636/step Wall: 669.997, 0.00314636/step, 4.18379 hours remaining, 232.726562 MB of memory in use. ENERGY: 213000 3878.5183 20603.9241 14428.3819 258.8365 -203395.6182 2150.8136 0.0000 0.0000 51906.9150 -110168.2289 298.3098 -162075.1439 -109803.3064 298.9480 -84.9020 -56.0699 758948.1480 12.0132 11.9756 PRESSURE: 213200 -211.4 -90.7614 75.7823 -90.7607 -177.938 27.8188 75.7822 27.8191 -568.359 GPRESSURE: 213200 -152.32 -65.9346 42.7404 -119.533 -116.452 13.527 248.196 133.615 -616.162 PRESSAVG: 213200 -87.9965 2.96788 34.3018 2.96786 94.3947 67.9579 34.3017 67.9579 0.312177 GPRESSAVG: 213200 -89.1094 5.62055 33.7837 1.21748 95.7688 66.9139 35.2713 67.4612 -0.215841 TIMING: 213200 CPU: 670.625, 0.00313999/step Wall: 670.625, 0.00313999/step, 4.17514 hours remaining, 232.726562 MB of memory in use. ENERGY: 213200 4045.4943 20621.4608 14347.7623 240.0948 -203399.0658 2298.6633 0.0000 0.0000 51844.1316 -110001.4588 297.9489 -161845.5904 -109637.6093 298.8667 -319.2320 -294.9781 759951.7899 2.2368 2.1479 PRESSURE: 213400 136.84 38.4951 145.974 38.4957 278.424 22.3043 145.974 22.306 -49.6666 GPRESSURE: 213400 225.768 79.8693 126.716 48.4569 223.832 -3.16597 169.842 49.6182 -17.5711 PRESSAVG: 213400 -67.7908 -28.4871 0.505022 -28.4872 48.8056 -19.2505 0.505001 -19.2504 14.1675 GPRESSAVG: 213400 -66.2274 -29.7888 -1.5735 -28.7289 48.2243 -20.3928 2.43933 -15.8858 13.4569 TIMING: 213400 CPU: 671.255, 0.0031489/step Wall: 671.255, 0.0031489/step, 4.18681 hours remaining, 232.726562 MB of memory in use. ENERGY: 213400 4031.4020 20551.4617 14346.3497 239.5954 -203755.8421 2863.7895 0.0000 0.0000 51675.2358 -110048.0080 296.9783 -161723.2438 -109695.2315 298.6890 121.8659 144.0098 760864.4951 -1.6059 -1.5154 PRESSURE: 213600 81.0305 -36.9149 -3.38444 -36.9146 16.5419 -32.6393 -3.38458 -32.638 -49.5383 GPRESSURE: 213600 83.9758 13.2438 58.4684 -60.2596 58.291 -101.775 48.6913 32.13 -30.3925 PRESSAVG: 213600 -48.9491 -60.6093 2.61493 -60.6094 33.9789 -28.0544 2.6149 -28.0543 -11.5478 GPRESSAVG: 213600 -49.7396 -60.7576 3.59385 -57.631 33.2928 -28.4165 3.33926 -31.4055 -10.8745 TIMING: 213600 CPU: 671.885, 0.00314936/step Wall: 671.885, 0.00314936/step, 4.18725 hours remaining, 232.726562 MB of memory in use. ENERGY: 213600 4038.9663 20552.0645 14370.8185 275.9257 -203991.6619 2924.7220 0.0000 0.0000 51752.5813 -110076.5836 297.4228 -161829.1649 -109707.5567 298.3640 16.0114 37.2914 760477.2792 -8.8393 -9.1071 PRESSURE: 213800 71.4821 216.421 -5.65817 216.421 -90.6232 -149.08 -5.6582 -149.08 -368.274 GPRESSURE: 213800 57.6775 129.467 -45.8043 68.6445 26.4314 -87.2872 -114.374 -121.445 -398.843 PRESSAVG: 213800 -11.6378 -12.7356 15.4235 -12.7356 42.1345 -44.3024 15.4236 -44.3024 29.12 GPRESSAVG: 213800 -12.4438 -14.2885 15.9688 -14.603 43.4742 -44.1518 13.9213 -43.6594 28.3331 TIMING: 213800 CPU: 672.514, 0.00314834/step Wall: 672.514, 0.00314834/step, 4.18572 hours remaining, 232.726562 MB of memory in use. ENERGY: 213800 4035.7711 20361.8770 14309.8370 247.6175 -203611.9211 2410.7727 0.0000 0.0000 52016.5656 -110229.4802 298.9399 -162246.0458 -109866.5131 298.6205 -129.1384 -104.9115 759204.7970 19.8722 19.7878 PRESSURE: 214000 70.8897 -101.417 -179.716 -101.417 89.2255 -219.246 -179.716 -219.245 -24.3451 GPRESSURE: 214000 24.3443 -132.909 -182.812 -43.4169 270.111 -287.599 -151.506 -249.512 -70.8952 PRESSAVG: 214000 -97.677 -29.2722 -50.5171 -29.2723 63.1751 -27.3221 -50.5171 -27.3221 3.10417 GPRESSAVG: 214000 -97.1502 -27.4817 -49.1903 -28.9783 62.5255 -26.6326 -52.0541 -28.5295 3.65101 TIMING: 214000 CPU: 673.146, 0.0031584/step Wall: 673.146, 0.0031584/step, 4.19892 hours remaining, 232.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 214000 3993.1408 20361.1562 14291.1863 260.1559 -203691.9766 2584.0175 0.0000 0.0000 51798.1240 -110404.1960 297.6845 -162202.3200 -110049.6345 298.3362 45.2567 74.5200 760508.4479 -10.4659 -10.3246 PRESSURE: 214200 -221.71 -109.915 -69.8832 -109.915 -70.7421 49.2328 -69.8837 49.2321 -137.842 GPRESSURE: 214200 -173.227 -172.047 -2.61347 -76.2967 -72.7452 11.6959 -142.346 70.0649 -74.0503 PRESSAVG: 214200 -26.1034 -23.1134 -10.6048 -23.1135 66.2593 42.7985 -10.6047 42.7986 -14.3593 GPRESSAVG: 214200 -25.6559 -22.6673 -12.3008 -23.8665 66.2876 41.229 -9.24961 45.2293 -14.2805 TIMING: 214200 CPU: 673.774, 0.00313775/step Wall: 673.774, 0.00313775/step, 4.17128 hours remaining, 232.726562 MB of memory in use. ENERGY: 214200 3989.5884 20408.0657 14400.6666 256.2029 -203487.5122 2424.8345 0.0000 0.0000 51836.4571 -110171.6972 297.9048 -162008.1542 -109819.3629 297.8412 -143.4315 -106.6741 759233.4671 8.5989 8.7837 PRESSURE: 214400 -163.3 72.1552 -12.3817 72.156 -290.208 42.9591 -12.3811 42.9604 -52.9698 GPRESSURE: 214400 -93.4056 77.9594 36.4265 129.13 -274.404 121.172 -117.106 71.447 -35.427 PRESSAVG: 214400 -60.415 -2.64725 -14.0272 -2.64722 60.7287 4.32159 -14.0272 4.32145 -14.6486 GPRESSAVG: 214400 -61.0047 -2.49585 -14.9737 -3.72855 60.8429 4.79391 -15.1814 4.28919 -14.026 TIMING: 214400 CPU: 674.407, 0.00316808/step Wall: 674.407, 0.00316808/step, 4.21143 hours remaining, 232.726562 MB of memory in use. ENERGY: 214400 4054.9380 20395.0959 14400.0361 257.2364 -203473.1613 2360.4624 0.0000 0.0000 52039.1416 -109966.2509 299.0697 -162005.3925 -109598.9854 298.6538 -168.8261 -134.4121 760322.3679 -4.7783 -4.7293 PRESSURE: 214600 -179.664 -10.4499 28.537 -10.4504 -458.448 100.319 28.537 100.318 -615.949 GPRESSURE: 214600 -131.304 85.7029 23.237 -31.152 -442.162 45.9977 76.673 109.716 -606.759 PRESSAVG: 214600 -39.3574 -20.9214 4.45623 -20.9214 66.3155 32.7678 4.4563 32.7678 -24.3324 GPRESSAVG: 214600 -39.3331 -20.6008 5.53805 -20.207 66.6744 33.374 5.6263 32.4343 -24.7768 TIMING: 214600 CPU: 675.039, 0.00315603/step Wall: 675.039, 0.00315603/step, 4.19525 hours remaining, 232.726562 MB of memory in use. ENERGY: 214600 4050.1110 20556.6436 14421.1211 273.3175 -203346.3999 2154.9973 0.0000 0.0000 51977.9574 -109912.2519 298.7180 -161890.2093 -109545.5460 299.1829 -418.0203 -393.4085 759312.7755 0.8752 0.8548 PRESSURE: 214800 -139.055 -93.8291 74.0049 -93.8289 -188.271 184.447 74.0049 184.447 -145.042 GPRESSURE: 214800 -149.828 -56.4071 119.711 58.3463 -159.303 143.981 26.1677 145.257 -99.8737 PRESSAVG: 214800 -77.3942 15.165 -13.9568 15.1651 69.1255 -9.78183 -13.9568 -9.78185 4.8584 GPRESSAVG: 214800 -77.5363 14.5623 -14.1623 15.7286 68.6464 -8.98073 -12.8144 -12.1164 5.14853 TIMING: 214800 CPU: 675.668, 0.00314919/step Wall: 675.668, 0.00314919/step, 4.18598 hours remaining, 232.726562 MB of memory in use. ENERGY: 214800 3980.6769 20654.2329 14359.8341 237.9827 -203465.3341 2294.5121 0.0000 0.0000 52034.8813 -109903.2140 299.0452 -161938.0953 -109538.3721 299.0132 -157.4559 -136.3348 759606.3671 -1.1368 -1.2471 PRESSURE: 215000 221.727 132.198 -52.7001 132.198 217.443 232.915 -52.7005 232.916 -1.2019 GPRESSURE: 215000 253.625 51.567 -30.0784 88.002 279.536 144.246 -136.872 228.469 -25.3508 PRESSAVG: 215000 -55.8977 10.3314 9.72178 10.3314 66.6548 12.8074 9.72175 12.8074 -4.27737 GPRESSAVG: 215000 -55.1415 7.55196 8.91654 12.003 66.4707 11.8886 7.66995 13.2345 -4.90114 TIMING: 215000 CPU: 676.297, 0.00314419/step Wall: 676.297, 0.00314419/step, 4.17915 hours remaining, 232.726562 MB of memory in use. ENERGY: 215000 3915.3787 20572.7870 14376.4838 254.2565 -203722.6640 2663.4434 0.0000 0.0000 51934.7067 -110005.6079 298.4695 -161940.3146 -109639.2277 299.2290 145.9896 169.2702 759852.0583 2.1599 2.1427 PRESSURE: 215200 -182.93 -1.82433 -192.721 -1.82427 -218.487 131.427 -192.72 131.427 274.225 GPRESSURE: 215200 -81.1576 -79.0422 -137.94 -57.7007 -216.377 75.0272 -221.528 131.672 254.634 PRESSAVG: 215200 0.0918743 14.9126 -8.44112 14.9126 16.2873 25.5763 -8.4411 25.5763 1.9307 GPRESSAVG: 215200 -1.0127 16.7269 -8.56751 12.8398 17.2493 26.6484 -8.09117 27.2974 1.87669 TIMING: 215200 CPU: 676.929, 0.0031585/step Wall: 676.929, 0.0031585/step, 4.198 hours remaining, 232.726562 MB of memory in use. ENERGY: 215200 3985.4517 20494.7153 14350.3545 245.0343 -203251.6642 2309.5653 0.0000 0.0000 52044.9271 -109821.6158 299.1029 -161866.5429 -109464.1333 299.3033 -42.3975 -14.3003 761303.5620 6.1033 6.0378 PRESSURE: 215400 12.8877 -63.37 -112.152 -63.3702 154.109 -170.509 -112.152 -170.509 428.296 GPRESSURE: 215400 86.9108 -145.214 -122.875 -4.18733 190.061 -46.9443 -86.4865 -68.2648 411.053 PRESSAVG: 215400 -26.7292 -4.14216 -13.3986 -4.14221 26.5747 -32.9613 -13.3987 -32.9613 -24.0641 GPRESSAVG: 215400 -26.2613 -2.48735 -10.6338 -2.31806 25.066 -35.374 -13.158 -33.2859 -23.2989 TIMING: 215400 CPU: 677.561, 0.00316236/step Wall: 677.561, 0.00316236/step, 4.20295 hours remaining, 232.726562 MB of memory in use. ENERGY: 215400 3984.7647 20613.4522 14421.5571 245.1849 -203933.8487 2661.3705 0.0000 0.0000 52111.0615 -109896.4578 299.4830 -162007.5193 -109526.4776 299.9528 198.4308 229.3415 757912.4444 -8.0729 -8.1647 PRESSURE: 215600 -221.005 -102.447 44.8919 -102.447 262.176 147.56 44.8925 147.561 -329.828 GPRESSURE: 215600 -76.7071 -62.0967 142.506 -42.8962 127.741 138.354 20.843 8.62937 -263.891 PRESSAVG: 215600 -67.1104 -23.5204 0.286588 -23.5204 60.086 -11.2524 0.286603 -11.2524 -9.92932 GPRESSAVG: 215600 -68.324 -24.3309 -1.79513 -23.9174 60.7416 -8.73548 1.18187 -11.6462 -9.6851 TIMING: 215600 CPU: 678.191, 0.00314679/step Wall: 678.191, 0.00314679/step, 4.18208 hours remaining, 232.726562 MB of memory in use. ENERGY: 215600 4080.3144 20331.1374 14471.4872 248.8938 -203363.8372 2265.5251 0.0000 0.0000 51952.8243 -110013.6550 298.5736 -161966.4793 -109645.7810 299.0251 -96.2189 -70.9525 759112.6636 -5.6512 -5.7558 PRESSURE: 215800 158.711 -60.6607 63.1363 -60.6616 -36.7115 172.334 63.1357 172.335 49.1107 GPRESSURE: 215800 163.136 -115.66 -79.6776 -17.8645 -114.081 159.278 193.162 211.583 221.505 PRESSAVG: 215800 -5.77444 -4.76612 -26.2495 -4.76618 38.8167 14.8412 -26.2495 14.8412 4.03428 GPRESSAVG: 215800 -5.29462 -5.26858 -25.5374 -3.22558 37.9456 12.0904 -26.6621 16.7954 4.59801 TIMING: 215800 CPU: 678.819, 0.00314294/step Wall: 678.819, 0.00314294/step, 4.17679 hours remaining, 232.726562 MB of memory in use. ENERGY: 215800 4032.2481 20414.2450 14353.1271 235.8127 -203484.8835 2483.4250 0.0000 0.0000 52023.1919 -109942.8337 298.9780 -161966.0256 -109578.3232 298.8870 57.0368 90.1867 760381.4541 12.3588 12.4163 PRESSURE: 216000 -399.065 119.327 -140.223 119.328 -462.932 -143.73 -140.223 -143.73 238.151 GPRESSURE: 216000 -341.039 71.3614 -159.903 69.652 -410.879 -111.339 -63.1907 -191.772 229.967 PRESSAVG: 216000 13.9235 5.92369 -28.1724 5.92375 4.42107 7.48396 -28.1724 7.48393 -2.88145 GPRESSAVG: 216000 14.0482 6.64446 -28.4806 2.89686 4.58096 9.39525 -27.4171 3.90411 -3.20099 TIMING: 216000 CPU: 679.446, 0.00313266/step Wall: 679.446, 0.00313266/step, 4.16296 hours remaining, 232.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 216000 3967.4765 20388.3530 14425.4170 265.8366 -203028.0152 2294.4863 0.0000 0.0000 51893.8702 -109792.5756 298.2348 -161686.4459 -109443.2414 298.8655 -207.9484 -173.9834 761196.0746 5.1544 5.1427 PRESSURE: 216200 -427.726 -111.345 -15.029 -111.344 -35.8387 -37.8021 -15.0289 -37.8018 -123.848 GPRESSURE: 216200 -270.896 -2.83236 -3.64082 -52.4078 -62.6943 -94.9758 -147.387 51.8515 -157.953 PRESSAVG: 216200 -13.1719 -1.27834 -38.0835 -1.27834 7.57288 -34.8109 -38.0835 -34.8108 -16.1285 GPRESSAVG: 216200 -11.9687 -0.630176 -39.1884 -0.387938 7.79149 -33.9082 -38.1908 -30.6539 -17.3893 TIMING: 216200 CPU: 680.071, 0.00312584/step Wall: 680.071, 0.00312584/step, 4.15372 hours remaining, 232.726562 MB of memory in use. ENERGY: 216200 4039.9830 20380.9475 14419.6091 258.8736 -202833.8094 2178.8277 0.0000 0.0000 51889.5881 -109665.9804 298.2102 -161555.5685 -109309.1201 298.6955 -195.8043 -163.8480 760319.7557 -7.2425 -7.1889 LDB: ============= START OF LOAD BALANCING ============== 692.468 LDB: ============== END OF LOAD BALANCING =============== 692.468 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 692.47 LDB: ============= START OF LOAD BALANCING ============== 692.784 LDB: Largest compute 7026 load 0.032476 is 16.6% of average load 0.195660 LDB: Average compute 0.004377 is 2.2% of average load 0.195660 LDB: TIME 692.788 LOAD: AVG 0.19566 MAX 0.215883 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.781 MB LDB: TIME 692.789 LOAD: AVG 0.19566 MAX 0.215883 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.02 MB LDB: TIME 692.789 LOAD: AVG 0.19566 MAX 0.215883 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.02 MB LDB: ============== END OF LOAD BALANCING =============== 692.791 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 692.796 PRESSURE: 216400 10.7352 133.127 -75.9197 133.127 -49.6277 193.432 -75.9196 193.433 30.5976 GPRESSURE: 216400 77.4449 239.395 -51.2557 5.66865 10.1129 270.037 13.7738 44.9703 -23.1226 PRESSAVG: 216400 -9.15123 17.9043 19.5901 17.9043 39.5993 17.2257 19.5901 17.2257 -2.05606 GPRESSAVG: 216400 -8.57276 17.1035 20.4031 18.5077 38.3671 15.0059 19.3308 15.0255 -1.47601 TIMING: 216400 CPU: 680.713, 0.00321029/step Wall: 680.713, 0.00321028/step, 4.26576 hours remaining, 232.781250 MB of memory in use. ENERGY: 216400 3954.8861 20463.2774 14426.3461 257.5105 -203110.3217 2284.7229 0.0000 0.0000 52335.6003 -109387.9784 300.7734 -161723.5787 -109018.6199 299.4567 -2.7649 21.4784 759245.4546 9.4640 9.4395 PRESSURE: 216600 -169.206 80.0738 106.304 80.0735 194.916 16.6523 106.305 16.6517 -38.6803 GPRESSURE: 216600 -128.664 47.7772 174.741 208.846 200.746 -53.1208 271.518 30.8604 -6.61951 PRESSAVG: 216600 -94.9103 0.402041 81.5081 0.402046 52.2112 35.8838 81.5082 35.8838 -14.8854 GPRESSAVG: 216600 -95.8299 -0.998065 82.5217 -0.127257 53.0656 36.7439 82.531 33.8371 -14.9884 TIMING: 216600 CPU: 681.344, 0.00315292/step Wall: 681.344, 0.00315292/step, 4.18935 hours remaining, 233.093750 MB of memory in use. ENERGY: 216600 3869.1384 20522.3564 14345.2922 235.2983 -203128.1267 2388.5601 0.0000 0.0000 52418.3902 -109349.0910 301.2492 -161767.4812 -108978.1812 299.9486 -4.3236 21.8208 760838.6203 -19.1949 -19.2509 PRESSURE: 216800 17.576 0.256736 216.923 0.257121 -1.77276 -253.369 216.923 -253.37 0.445275 GPRESSURE: 216800 28.6533 40.8264 140.147 -47.8388 54.7429 -189.689 200.891 -182.094 17.1316 PRESSAVG: 216800 -54.7953 -16.5927 3.92259 -16.5927 25.9302 -43.7611 3.92266 -43.7611 -4.84976 GPRESSAVG: 216800 -53.2169 -15.0179 4.37755 -18.3699 26.4842 -43.8702 2.24836 -42.2989 -6.02722 TIMING: 216800 CPU: 681.973, 0.00314684/step Wall: 681.973, 0.00314684/step, 4.1811 hours remaining, 233.093750 MB of memory in use. ENERGY: 216800 3948.9890 20487.9770 14549.2322 242.5643 -202860.9789 2270.5837 0.0000 0.0000 52071.7225 -109289.9102 299.2569 -161361.6327 -108931.3266 299.9155 5.4162 33.5093 759761.9087 -11.2383 -10.9200 PRESSURE: 217000 34.1213 -106.66 -5.14158 -106.66 -236.643 41.5583 -5.1409 41.5585 -363.947 GPRESSURE: 217000 -15.9317 -0.86418 -23.2493 -85.4637 -68.8023 77.2074 29.1268 -27.3454 -394.968 PRESSAVG: 217000 -25.7406 -14.0889 34.0751 -14.0889 15.3385 -16.2609 34.075 -16.2609 3.70375 GPRESSAVG: 217000 -27.9291 -14.1399 31.3982 -14.8149 15.4598 -15.5377 34.5833 -16.6606 5.97366 TIMING: 217000 CPU: 682.602, 0.00314559/step Wall: 682.602, 0.00314559/step, 4.17927 hours remaining, 233.093750 MB of memory in use. ENERGY: 217000 3990.9277 20438.9540 14470.5736 259.9666 -203208.5049 2355.3690 0.0000 0.0000 52091.4970 -109601.2169 299.3705 -161692.7139 -109243.0368 299.7605 -188.8228 -159.9007 760733.1960 -2.2328 -2.1652 PRESSURE: 217200 -67.1468 -203.244 127.468 -203.244 -132.623 -50.5602 127.469 -50.5607 -292.084 GPRESSURE: 217200 -2.63607 -214.507 165.717 -188.583 -100.227 -16.3873 132.784 20.2614 -302.888 PRESSAVG: 217200 -2.79985 -38.9969 12.8719 -38.9968 3.02782 -8.4722 12.8719 -8.4721 5.22246 GPRESSAVG: 217200 -0.701902 -40.0468 13.1861 -36.2942 2.63697 -8.28714 12.9472 -11.8082 4.12241 TIMING: 217200 CPU: 683.231, 0.00314614/step Wall: 683.231, 0.00314614/step, 4.17982 hours remaining, 233.093750 MB of memory in use. ENERGY: 217200 3894.5770 20496.2484 14458.0091 251.1739 -203059.4842 2290.1238 0.0000 0.0000 52184.0880 -109485.2640 299.9027 -161669.3520 -109107.9521 299.3828 -163.9513 -135.2504 761981.1099 1.8168 2.0192 PRESSURE: 217400 -215.578 78.2994 16.8448 78.2987 -39.9383 43.2311 16.8443 43.2325 -256.485 GPRESSURE: 217400 -223.722 4.90331 35.036 37.6619 30.5394 -15.1606 17.4936 -70.9505 -233.968 PRESSAVG: 217400 3.79933 -29.3341 29.9187 -29.3341 -3.52916 -51.0152 29.9187 -51.0152 -22.867 GPRESSAVG: 217400 2.85288 -30.1586 31.5531 -29.1337 -2.98171 -52.9995 29.5003 -46.9877 -22.102 TIMING: 217400 CPU: 683.861, 0.00314614/step Wall: 683.861, 0.00314614/step, 4.17965 hours remaining, 233.093750 MB of memory in use. ENERGY: 217400 3986.4543 20531.8292 14392.2052 229.2746 -203514.0104 2656.7659 0.0000 0.0000 51957.9801 -109759.5009 298.6032 -161717.4811 -109401.7689 299.1962 -170.6672 -142.3837 763392.4008 -7.5323 -7.4103 PRESSURE: 217600 113.702 -136.421 -153.665 -136.42 -92.8888 -29.3929 -153.664 -29.3926 180.18 GPRESSURE: 217600 27.7115 -329.71 -68.7598 -24.7319 15.8643 -26.4951 -211.98 -29.0679 214.874 PRESSAVG: 217600 2.44911 10.6372 14.0098 10.6371 -3.57527 -25.9541 14.0098 -25.9541 4.74784 GPRESSAVG: 217600 2.73321 10.1385 13.4747 8.78815 -3.817 -25.3851 14.9152 -26.8484 4.6627 TIMING: 217600 CPU: 684.491, 0.00315136/step Wall: 684.491, 0.00315136/step, 4.18641 hours remaining, 233.093750 MB of memory in use. ENERGY: 217600 3939.2667 20675.2012 14450.8661 237.4597 -203977.3764 2967.6158 0.0000 0.0000 52189.9935 -109516.9734 299.9366 -161706.9669 -109156.8651 298.9663 66.9977 86.1500 761331.5419 1.2072 1.1930 PRESSURE: 217800 110.024 -179.172 46.6938 -179.173 -130.914 -89.9038 46.6936 -89.9034 -249.181 GPRESSURE: 217800 136.076 -88.8466 35.909 -45.9638 -91.8644 -110.042 90.6609 -46.0468 -222.391 PRESSAVG: 217800 69.4012 -16.904 55.8306 -16.9041 6.6657 -36.8394 55.8305 -36.8393 -5.94912 GPRESSAVG: 217800 69.5833 -15.1335 55.5515 -16.4142 7.4823 -35.9925 55.9463 -36.8154 -6.47119 TIMING: 217800 CPU: 685.122, 0.00315416/step Wall: 685.122, 0.00315416/step, 4.18995 hours remaining, 233.093750 MB of memory in use. ENERGY: 217800 3916.1385 20432.1355 14464.8259 265.5852 -203218.0492 2596.5083 0.0000 0.0000 52125.2125 -109417.6432 299.5643 -161542.8557 -109051.8832 299.4171 -90.0236 -59.3934 762521.4971 23.3726 23.5315 PRESSURE: 218000 205.116 -191.34 84.7736 -191.34 -179.854 -20.9875 84.7735 -20.9865 137.232 GPRESSURE: 218000 267.589 -194.409 92.2325 -188.071 -156.722 15.838 42.3943 53.0897 146.915 PRESSAVG: 218000 29.0166 -24.2861 30.8814 -24.2861 -13.1396 1.21697 30.8814 1.21699 -7.87945 GPRESSAVG: 218000 28.7919 -25.4599 30.5309 -22.585 -13.6846 0.696995 32.1895 1.70718 -7.53803 TIMING: 218000 CPU: 685.756, 0.00316934/step Wall: 685.756, 0.00316934/step, 4.20994 hours remaining, 233.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 218000 3987.2939 20532.1519 14464.3082 244.4335 -203466.4964 2561.0751 0.0000 0.0000 52119.3984 -109557.8353 299.5309 -161677.2337 -109188.7325 299.4601 54.1646 85.9271 761465.3961 2.6658 2.5231 PRESSURE: 218200 -256.314 -28.4656 -55.6722 -28.4648 -89.0894 -65.1477 -55.6724 -65.1473 -216.801 GPRESSURE: 218200 -246.417 -35.8485 -51.683 -108.973 -127.556 -156.871 15.9161 -54.4482 -102.41 PRESSAVG: 218200 -6.97348 -76.1657 3.10352 -76.1657 -20.5758 -37.4653 3.10356 -37.4653 -28.3207 GPRESSAVG: 218200 -5.79556 -75.3133 2.46148 -78.968 -20.8114 -37.8334 1.73424 -35.9454 -29.2067 TIMING: 218200 CPU: 686.388, 0.00316377/step Wall: 686.388, 0.00316376/step, 4.20236 hours remaining, 233.195312 MB of memory in use. ENERGY: 218200 4011.5360 20626.6005 14442.7558 238.2042 -203302.5279 2243.9128 0.0000 0.0000 52134.1394 -109605.3792 299.6156 -161739.5187 -109256.1154 299.4409 -187.4017 -158.7945 759750.3285 -18.6233 -18.6046 PRESSURE: 218400 -34.988 -124.866 22.0223 -124.866 -571.374 -121.424 22.0212 -121.424 113.806 GPRESSURE: 218400 -62.7016 -235.104 47.4755 -157.851 -496.513 -166.131 21.7415 15.2524 153.481 PRESSAVG: 218400 63.0669 38.0638 -24.2607 38.0638 -39.3459 -36.6805 -24.2607 -36.6806 16.5589 GPRESSAVG: 218400 61.6788 39.0955 -22.2655 40.1718 -38.8575 -37.6469 -26.1007 -38.5105 17.5548 TIMING: 218400 CPU: 687.016, 0.00313608/step Wall: 687.016, 0.00313608/step, 4.16542 hours remaining, 233.195312 MB of memory in use. ENERGY: 218400 4044.9127 20585.0770 14391.0458 262.4276 -203179.2732 2405.0729 0.0000 0.0000 51907.9097 -109582.8275 298.3155 -161490.7372 -109215.3957 299.6073 -164.1852 -135.2443 760870.5624 13.4266 13.4587 PRESSURE: 218600 -69.1597 187.497 -120.013 187.497 193.249 143.163 -120.014 143.162 -242.604 GPRESSURE: 218600 -2.88463 153.261 -177.519 215.667 262.463 139.697 -64.7372 67.4856 -312.7 PRESSAVG: 218600 -23.0199 -33.6134 21.7462 -33.6134 -7.84963 -18.3854 21.7462 -18.3854 -26.4584 GPRESSAVG: 218600 -23.5704 -34.8794 20.4548 -32.7466 -6.71174 -16.6019 21.9763 -18.4112 -26.8477 TIMING: 218600 CPU: 687.644, 0.00314124/step Wall: 687.644, 0.00314124/step, 4.17209 hours remaining, 233.195312 MB of memory in use. ENERGY: 218600 4006.2330 20561.0547 14435.0787 242.5201 -203531.3456 2482.6937 0.0000 0.0000 52016.5472 -109787.2182 298.9398 -161803.7654 -109429.6196 299.1334 -39.5050 -17.7072 760071.0961 -19.1093 -19.0433 PRESSURE: 218800 18.2141 66.9881 -78.196 66.9878 167.644 28.0665 -78.196 28.0654 -225.429 GPRESSURE: 218800 32.9044 4.39594 -56.2308 16.1751 135.436 58.3759 -107.423 -6.38115 -121.787 PRESSAVG: 218800 -3.1054 1.06231 -18.0624 1.06235 17.5255 2.41208 -18.0624 2.41202 -26.7609 GPRESSAVG: 218800 -0.744598 2.30185 -16.6445 -0.677202 14.9199 1.70794 -20.2869 4.3012 -26.2195 TIMING: 218800 CPU: 688.272, 0.00314109/step Wall: 688.272, 0.00314109/step, 4.17171 hours remaining, 233.195312 MB of memory in use. ENERGY: 218800 3896.3823 20607.2684 14434.3580 249.7349 -203411.6622 2289.8687 0.0000 0.0000 52093.5023 -109840.5477 299.3821 -161934.0499 -109486.5351 298.9169 -13.1901 15.5178 761327.9397 -4.1136 -4.0147 PRESSURE: 219000 -131.791 207.654 96.44 207.654 -401.186 56.9207 96.4396 56.9213 -508.398 GPRESSURE: 219000 -90.462 174.474 52.4003 269.975 -343.837 14.8918 251.831 168.111 -536.609 PRESSAVG: 219000 -37.7967 -20.5364 -0.606555 -20.5363 52.8273 -15.3973 -0.606557 -15.3973 2.22892 GPRESSAVG: 219000 -38.9014 -20.9565 -1.08191 -21.4037 53.9208 -15.9958 1.98606 -18.1125 1.48833 TIMING: 219000 CPU: 688.898, 0.00313084/step Wall: 688.898, 0.00313084/step, 4.15793 hours remaining, 233.195312 MB of memory in use. ENERGY: 219000 4001.9456 20781.9220 14398.5974 244.8856 -203279.2926 2284.8361 0.0000 0.0000 51820.6691 -109746.4368 297.8141 -161567.1059 -109385.0980 299.3780 -347.1250 -323.6360 762000.6040 5.7532 5.5026 PRESSURE: 219200 -118.07 129.613 -25.8272 129.614 -44.8658 199.79 -25.8272 199.789 -47.8824 GPRESSURE: 219200 1.08901 140.088 -82.0201 45.0573 -113.444 173.849 -96.7328 191.52 -3.92841 PRESSAVG: 219200 17.2905 -39.0597 -7.02687 -39.0597 18.5788 10.6538 -7.02693 10.6538 -9.45571 GPRESSAVG: 219200 18.6093 -38.6641 -7.37657 -39.5554 18.4813 10.0956 -5.20653 12.9498 -10.6968 TIMING: 219200 CPU: 689.526, 0.00313706/step Wall: 689.526, 0.00313706/step, 4.16601 hours remaining, 233.195312 MB of memory in use. ENERGY: 219200 4013.4747 20592.8521 14385.5877 260.4416 -203671.7400 2588.3551 0.0000 0.0000 52194.6740 -109636.3547 299.9635 -161831.0288 -109270.7618 299.4137 -70.2728 -38.7612 760708.2362 8.8045 8.7979 PRESSURE: 219400 137.037 -129.464 -48.4804 -129.464 -172.688 -53.8363 -48.4801 -53.837 -675.889 GPRESSURE: 219400 161.505 -119.298 -9.76942 -25.9239 -130.199 -75.5915 43.2184 -118.665 -646.487 PRESSAVG: 219400 -27.6269 -0.505347 10.7501 -0.505316 -42.2586 -41.9901 10.7501 -41.99 10.6458 GPRESSAVG: 219400 -27.1195 -1.03143 10.491 1.53996 -43.3692 -41.2312 10.9724 -42.4566 11.4309 TIMING: 219400 CPU: 690.153, 0.00313572/step Wall: 690.153, 0.00313572/step, 4.16407 hours remaining, 233.195312 MB of memory in use. ENERGY: 219400 4007.8903 20447.5364 14413.0105 229.2068 -203536.4653 2676.8239 0.0000 0.0000 52047.7737 -109714.2237 299.1193 -161761.9974 -109354.5210 299.1931 -237.1801 -205.0605 762692.5373 -19.7466 -19.6859 PRESSURE: 219600 193.212 72.5302 -13.4282 72.5306 33.2102 -25.7003 -13.4286 -25.7012 62.7697 GPRESSURE: 219600 198.284 105.32 -26.032 -31.7924 103.65 17.8997 -51.0526 -92.4679 73.0633 PRESSAVG: 219600 -10.8851 15.007 -7.7922 15.0071 18.963 14.1876 -7.79218 14.1876 -6.44513 GPRESSAVG: 219600 -11.6257 16.4566 -7.03066 13.0929 18.7206 13.5865 -8.88534 12.9004 -5.81186 TIMING: 219600 CPU: 690.779, 0.00313169/step Wall: 690.779, 0.00313169/step, 4.15854 hours remaining, 233.195312 MB of memory in use. ENERGY: 219600 3951.3203 20377.4037 14413.3223 250.4607 -203393.4442 2364.9371 0.0000 0.0000 52193.7217 -109842.2782 299.9580 -162036.0000 -109478.8482 298.8296 96.3974 124.9990 759472.8083 0.5443 0.4277 PRESSURE: 219800 -91.4671 -113.489 363.476 -113.489 106.017 -75.2788 363.477 -75.2784 -76.0729 GPRESSURE: 219800 -2.70366 -217.024 385.105 -194.569 138.107 -112.745 339.46 55.4041 -104.548 PRESSAVG: 219800 -40.608 -33.3264 38.981 -33.3264 9.95648 -39.4484 38.981 -39.4483 -20.6431 GPRESSAVG: 219800 -41.7468 -36.5361 39.5131 -32.4463 11.0144 -38.036 37.2464 -38.1609 -20.6875 TIMING: 219800 CPU: 691.407, 0.00313981/step Wall: 691.407, 0.00313981/step, 4.16915 hours remaining, 233.195312 MB of memory in use. ENERGY: 219800 3986.8087 20450.9392 14427.0804 246.5473 -203574.3472 2868.2714 0.0000 0.0000 51946.2882 -109648.4119 298.5360 -161594.7002 -109302.7599 298.6943 -20.5076 10.2853 761275.9190 -17.0982 -17.1400 PRESSURE: 220000 -126.906 -66.5835 -160.216 -66.5835 0.783698 20.4571 -160.216 20.4579 -81.9022 GPRESSURE: 220000 -47.2488 -24.7251 -89.8402 -5.67676 -58.5696 81.9634 -106.174 -28.8203 -54.0217 PRESSAVG: 220000 -11.9566 -34.9634 -7.32187 -34.9633 18.3527 -6.21737 -7.32191 -6.21739 25.0156 GPRESSAVG: 220000 -10.9696 -32.0477 -10.2698 -35.7439 16.4458 -6.17136 -3.76804 -6.33151 25.9669 TIMING: 220000 CPU: 692.033, 0.00312775/step Wall: 692.033, 0.00312775/step, 4.15296 hours remaining, 233.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 220000 3951.5024 20470.4452 14478.4100 238.6922 -203463.9090 2494.9292 0.0000 0.0000 52011.9326 -109817.9975 298.9133 -161829.9301 -109459.6112 299.2197 -69.3414 -53.2800 761410.0225 10.4706 10.4810 PRESSURE: 220200 -296.647 -163.069 -79.6983 -163.068 279.299 -147.361 -79.6981 -147.361 11.1316 GPRESSURE: 220200 -117.181 -148.407 -140.853 -130.741 201.161 -195.809 24.7291 -92.1529 -7.40307 PRESSAVG: 220200 15.809 -24.4869 6.00546 -24.4869 -20.8765 -30.1716 6.00543 -30.1716 -1.51143 GPRESSAVG: 220200 15.3458 -25.1017 8.93023 -22.3727 -19.6459 -31.0714 5.23606 -30.3656 -2.74767 TIMING: 220200 CPU: 692.66, 0.00313623/step Wall: 692.66, 0.00313623/step, 4.16404 hours remaining, 233.195312 MB of memory in use. ENERGY: 220200 3923.8042 20486.7002 14417.6671 255.1854 -203513.2821 2409.7648 0.0000 0.0000 52080.3519 -109939.8085 299.3065 -162020.1604 -109580.8798 298.7995 -2.0723 25.5256 759759.5594 -2.1930 -2.3493 LDB: ============= START OF LOAD BALANCING ============== 705.058 LDB: ============== END OF LOAD BALANCING =============== 705.058 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 705.06 LDB: ============= START OF LOAD BALANCING ============== 705.374 LDB: Largest compute 7073 load 0.032671 is 16.7% of average load 0.195559 LDB: Average compute 0.004377 is 2.2% of average load 0.195559 LDB: TIME 705.378 LOAD: AVG 0.195559 MAX 0.21502 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.066 MB LDB: TIME 705.378 LOAD: AVG 0.195559 MAX 0.21502 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.066 MB LDB: TIME 705.378 LOAD: AVG 0.195559 MAX 0.21502 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 705.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 705.385 PRESSURE: 220400 -221.916 -71.6232 -95.1472 -71.623 -350.651 0.122471 -95.1477 0.121137 -116.099 GPRESSURE: 220400 -162.003 -7.81938 -151.472 -144.031 -273.08 29.5281 -69.9173 57.2794 -173.745 PRESSAVG: 220400 43.8636 -19.9072 -30.4266 -19.9072 -3.74495 -35.1028 -30.4266 -35.1028 -14.3476 GPRESSAVG: 220400 43.6528 -20.3558 -31.3123 -21.217 -4.13468 -34.9333 -30.7106 -34.5161 -13.4726 TIMING: 220400 CPU: 693.302, 0.00321179/step Wall: 693.302, 0.00321179/step, 4.26418 hours remaining, 233.609375 MB of memory in use. ENERGY: 220400 3970.9710 20549.2752 14356.3918 242.3955 -203424.6139 2200.8285 0.0000 0.0000 52141.4202 -109963.3316 299.6575 -162104.7518 -109603.9509 298.4947 -229.5552 -202.9429 760885.1683 8.5904 8.6818 PRESSURE: 220600 -42.2148 -262.605 29.6222 -262.605 173.885 392.836 29.6221 392.837 178.985 GPRESSURE: 220600 58.4182 -143.44 85.7151 -217.069 105.9 396.364 21.5079 386.511 228.256 PRESSAVG: 220600 -11.024 -54.586 -2.1312 -54.586 23.0263 1.49472 -2.13123 1.49467 -12.7643 GPRESSAVG: 220600 -10.0336 -54.9729 -0.882583 -54.4402 22.1669 1.10482 -3.82987 1.88623 -12.8147 TIMING: 220600 CPU: 693.932, 0.00314727/step Wall: 693.932, 0.00314727/step, 4.17835 hours remaining, 233.609375 MB of memory in use. ENERGY: 220600 3982.6916 20437.4829 14427.4884 239.3088 -203448.3244 2659.4742 0.0000 0.0000 51865.7070 -109836.1714 298.0729 -161701.8784 -109474.4048 298.5639 103.5518 130.8579 759689.7817 -0.2540 -0.2271 PRESSURE: 220800 6.54564 -38.7733 109.26 -38.7731 -179.995 285.931 109.261 285.93 232.562 GPRESSURE: 220800 -50.6898 12.0106 123.775 37.6024 -72.0125 130.945 168.163 453.542 261.933 PRESSAVG: 220800 4.46996 -71.3396 -7.07171 -71.3396 -34.2042 11.0236 -7.07172 11.0235 -22.1352 GPRESSAVG: 220800 3.19852 -71.5136 -6.7601 -71.1156 -32.0292 11.0139 -7.29327 11.4013 -22.3217 TIMING: 220800 CPU: 694.558, 0.00313349/step Wall: 694.558, 0.00313349/step, 4.15988 hours remaining, 233.609375 MB of memory in use. ENERGY: 220800 4074.5019 20472.4300 14508.2996 256.6469 -203417.4637 2403.7080 0.0000 0.0000 51838.3721 -109863.5052 297.9158 -161701.8773 -109506.4464 298.6476 19.7042 46.4103 759989.8902 -17.2898 -17.0508 PRESSURE: 221000 -5.9376 176.599 293.404 176.599 -160.641 -212.755 293.404 -212.756 -123.115 GPRESSURE: 221000 30.8688 174.462 228.363 133.321 -181.766 -189.986 129.215 -145.375 -46.7283 PRESSAVG: 221000 78.128 -60.5492 -2.05639 -60.5492 -35.919 4.30995 -2.05635 4.3099 -1.04183 GPRESSAVG: 221000 76.3006 -61.0323 -3.74861 -60.0641 -35.3322 5.61552 -1.31269 2.91321 0.289658 TIMING: 221000 CPU: 695.186, 0.00313679/step Wall: 695.186, 0.00313679/step, 4.16409 hours remaining, 233.609375 MB of memory in use. ENERGY: 221000 4043.7074 20539.9801 14473.2878 255.5239 -203391.1294 2285.6102 0.0000 0.0000 51952.0981 -109840.9220 298.5694 -161793.0201 -109483.8912 298.5377 -96.5643 -65.8752 759864.5721 13.7224 13.7527 PRESSURE: 221200 -305.352 40.0133 153.265 40.0135 -491.948 -59.8738 153.265 -59.8742 -232.057 GPRESSURE: 221200 -191.711 103.374 118.861 32.5739 -367.04 -49.3487 72.1397 -12.7389 -362.586 PRESSAVG: 221200 6.41091 -30.8519 -18.5718 -30.8519 -28.196 -41.6178 -18.5719 -41.6178 4.98136 GPRESSAVG: 221200 8.6306 -28.7861 -18.9371 -32.2598 -29.0748 -42.512 -18.4961 -39.2335 3.57398 TIMING: 221200 CPU: 695.815, 0.00314621/step Wall: 695.815, 0.00314621/step, 4.17642 hours remaining, 233.609375 MB of memory in use. ENERGY: 221200 4129.6583 20393.6430 14484.4214 235.7853 -203602.0029 2603.5217 0.0000 0.0000 51958.9237 -109796.0496 298.6086 -161754.9732 -109435.5748 298.7759 -343.1190 -307.1123 762043.2090 -5.6013 -5.6234 PRESSURE: 221400 -84.4863 -111.564 -20.4248 -111.564 2.9757 55.4192 -20.4252 55.4189 -302.864 GPRESSURE: 221400 -15.1006 -214.417 12.211 -104.034 -90.302 100.153 -23.0551 12.1528 -199.178 PRESSAVG: 221400 12.9384 -25.9832 11.6211 -25.9832 -15.7984 -1.77855 11.6211 -1.77862 8.21977 GPRESSAVG: 221400 13.1159 -28.035 11.4175 -25.6101 -15.7352 -0.339881 10.7049 -2.82945 7.92612 TIMING: 221400 CPU: 696.448, 0.00316597/step Wall: 696.448, 0.00316597/step, 4.20247 hours remaining, 233.609375 MB of memory in use. ENERGY: 221400 4042.4392 20623.6130 14450.2632 239.9188 -203684.7082 2504.6778 0.0000 0.0000 52299.8168 -109523.9795 300.5678 -161823.7962 -109158.4510 299.1733 -128.1250 -101.5267 759463.7289 1.7866 1.7689 PRESSURE: 221600 152.682 11.0956 -87.6157 11.0946 -17.9668 49.0736 -87.6159 49.0739 189.35 GPRESSURE: 221600 80.7609 -0.503623 -77.2968 -45.1294 42.4236 51.0373 -13.6101 -87.4291 260.775 PRESSAVG: 221600 -10.7184 -67.1201 32.5647 -67.1201 32.4839 -51.779 32.5648 -51.779 -29.3195 GPRESSAVG: 221600 -11.2665 -64.2983 33.7151 -68.3961 32.1785 -54.6854 33.0757 -50.3518 -28.4309 TIMING: 221600 CPU: 697.079, 0.00315358/step Wall: 697.079, 0.00315358/step, 4.18585 hours remaining, 233.679688 MB of memory in use. ENERGY: 221600 3893.7804 20521.4685 14442.2962 224.9022 -203294.9760 2288.3349 0.0000 0.0000 52120.0283 -109804.1655 299.5345 -161924.1938 -109434.6826 299.4330 108.0217 127.9865 760688.6208 -2.5180 -2.5063 PRESSURE: 221800 215.53 -104.408 -40.5856 -104.408 -199.192 120.992 -40.5853 120.992 -47.6741 GPRESSURE: 221800 216.154 10.726 -50.7896 -109.357 -116.449 104.701 -2.03846 195.215 -36.0086 PRESSAVG: 221800 -5.98404 -39.9446 12.718 -39.9446 -0.636194 -19.4659 12.718 -19.4659 17.83 GPRESSAVG: 221800 -5.463 -40.1896 12.8256 -40.2811 -0.756003 -15.9737 12.6576 -20.8311 17.5274 TIMING: 221800 CPU: 697.708, 0.00314642/step Wall: 697.708, 0.00314642/step, 4.17617 hours remaining, 233.679688 MB of memory in use. ENERGY: 221800 4022.9765 20659.8694 14460.2060 252.3420 -203764.9214 2822.1046 0.0000 0.0000 51893.3881 -109654.0347 298.2320 -161547.4228 -109288.6247 299.5247 -10.4455 21.2320 760350.5323 3.7366 3.7695 PRESSURE: 222000 126.263 -53.5595 2.26549 -53.5595 77.4442 103.038 2.26558 103.037 -308.198 GPRESSURE: 222000 224.246 -131.018 -20.3491 -30.5522 116.461 33.2927 -20.3242 106.829 -363.578 PRESSAVG: 222000 19.2493 -57.4659 34.1429 -57.4659 -9.65846 6.20135 34.143 6.20131 23.0652 GPRESSAVG: 222000 19.5902 -57.4743 36.4614 -58.781 -10.1775 4.59122 34.8656 5.98301 23.0874 TIMING: 222000 CPU: 698.339, 0.00315338/step Wall: 698.339, 0.00315338/step, 4.18523 hours remaining, 233.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 222000 3967.4425 20509.5205 14395.6872 244.3398 -203414.4177 2454.5176 0.0000 0.0000 52099.0911 -109743.8190 299.4142 -161842.9101 -109381.6731 299.3937 -34.8303 -7.6236 758084.2414 10.8854 10.8334 PRESSURE: 222200 -430.463 -204.297 8.26709 -204.297 -45.0455 123.339 8.26771 123.339 -210.204 GPRESSURE: 222200 -364.238 -134.389 34.8439 -253.168 11.3507 131.219 81.5848 51.6175 -224.87 PRESSAVG: 222200 2.53327 -73.624 -23.8616 -73.624 12.1213 -1.02359 -23.8616 -1.02356 1.48496 GPRESSAVG: 222200 1.28193 -73.9596 -25.4111 -71.3872 13.3217 -0.38324 -25.5858 -0.359759 1.49974 TIMING: 222200 CPU: 698.968, 0.00314555/step Wall: 698.968, 0.00314555/step, 4.17467 hours remaining, 233.750000 MB of memory in use. ENERGY: 222200 3989.9060 20392.3339 14450.0520 258.6731 -202851.7218 1917.3369 0.0000 0.0000 52247.1106 -109596.3092 300.2649 -161843.4198 -109222.5642 298.8939 -228.5709 -192.5861 760092.3416 5.3799 5.3678 PRESSURE: 222400 32.2693 -77.8502 -102.982 -77.8501 -82.7967 -73.6586 -102.982 -73.6589 211.559 GPRESSURE: 222400 71.5808 -33.5186 -170.429 14.1207 -45.6994 -102.11 -136.163 -3.36125 219.059 PRESSAVG: 222400 -6.28032 -68.3837 1.7793 -68.3837 24.8567 4.72278 1.77928 4.72276 -4.16764 GPRESSAVG: 222400 -6.37136 -69.0435 1.15595 -67.1321 25.0753 2.90948 3.03507 5.51822 -4.7862 TIMING: 222400 CPU: 699.595, 0.00313639/step Wall: 699.595, 0.00313639/step, 4.16233 hours remaining, 233.750000 MB of memory in use. ENERGY: 222400 4007.3360 20587.3588 14387.1260 274.4394 -203852.1886 2694.2134 0.0000 0.0000 52344.1429 -109557.5722 300.8225 -161901.7151 -109193.4561 299.7253 53.6772 81.6470 759196.9582 4.8029 4.6392 PRESSURE: 222600 -248.856 34.5734 24.784 34.5733 -502.896 182.21 24.7842 182.21 -186.91 GPRESSURE: 222600 -269.836 79.0307 79.3776 -2.13842 -319.149 137.846 100.673 221.597 -286.588 PRESSAVG: 222600 18.9823 -65.0929 -62.0091 -65.0929 -31.4739 37.1315 -62.0091 37.1315 20.1389 GPRESSAVG: 222600 20.0689 -65.0776 -62.3396 -66.381 -33.2278 38.5345 -62.4922 34.5861 20.24 TIMING: 222600 CPU: 700.226, 0.00315303/step Wall: 700.226, 0.00315303/step, 4.18424 hours remaining, 233.750000 MB of memory in use. ENERGY: 222600 4002.8466 20592.5020 14448.4616 251.8576 -203413.0768 2396.5460 0.0000 0.0000 52127.4242 -109593.4388 299.5770 -161720.8629 -109231.8749 299.4604 -312.8873 -291.8576 759954.8929 2.5491 2.3604 PRESSURE: 222800 81.7613 -107.145 -310.096 -107.145 -20.9957 399.085 -310.095 399.085 206.604 GPRESSURE: 222800 87.2814 -176.771 -310.519 -220.73 65.546 369.644 -216.727 422.705 226.871 PRESSAVG: 222800 17.4122 -68.16 -53.6965 -68.16 -16.0901 32.6936 -53.6965 32.6936 -7.90286 GPRESSAVG: 222800 15.5745 -69.8798 -52.8406 -69.1788 -13.7667 32.5153 -54.3411 33.5965 -8.42878 TIMING: 222800 CPU: 700.857, 0.00315815/step Wall: 700.857, 0.00315815/step, 4.19086 hours remaining, 233.750000 MB of memory in use. ENERGY: 222800 4005.8139 20518.2777 14482.6453 246.1441 -203693.6864 2673.4064 0.0000 0.0000 51977.1431 -109790.2559 298.7134 -161767.3990 -109429.6396 299.3010 89.1233 126.5661 757327.0879 -2.1936 -2.2070 PRESSURE: 223000 67.2771 -68.7065 11.6722 -68.7059 -39.7502 260.938 11.6725 260.937 -123.946 GPRESSURE: 223000 182.965 -174.026 -35.0578 -214.318 -39.6744 365.016 29.5638 172.286 -141.652 PRESSAVG: 223000 26.2476 -66.0047 -37.303 -66.0047 -9.02385 -0.0629185 -37.303 -0.0629887 -6.57515 GPRESSAVG: 223000 26.1774 -66.0319 -37.882 -63.2259 -9.01045 -1.38486 -36.4296 -0.851574 -6.6796 TIMING: 223000 CPU: 701.485, 0.00313747/step Wall: 701.485, 0.00313747/step, 4.16324 hours remaining, 233.750000 MB of memory in use. ENERGY: 223000 3963.7886 20629.7917 14459.1094 238.7568 -203554.9927 2322.3271 0.0000 0.0000 52251.0071 -109690.2122 300.2873 -161941.2193 -109331.0875 299.4752 -32.1396 0.5463 758869.0689 3.5495 3.4958 PRESSURE: 223200 -199.529 199.678 150.128 199.678 174.723 -90.3745 150.127 -90.3741 62.2447 GPRESSURE: 223200 -71.1691 125.79 164.086 165.795 131.689 -72.593 208.156 48.2464 59.5308 PRESSAVG: 223200 -61.8064 -19.6225 -4.27956 -19.6225 90.2019 40.2319 -4.27952 40.2319 13.4484 GPRESSAVG: 223200 -61.1955 -19.2867 -4.75831 -22.4308 89.0115 41.4355 -3.83886 41.7276 13.9473 TIMING: 223200 CPU: 702.112, 0.00313348/step Wall: 702.112, 0.00313348/step, 4.15779 hours remaining, 233.750000 MB of memory in use. ENERGY: 223200 4048.2674 20595.4658 14446.0377 220.7763 -204043.0794 2792.6795 0.0000 0.0000 52225.0932 -109714.7595 300.1383 -161939.8527 -109360.4822 299.6979 12.4796 40.0168 757323.9899 13.9480 13.9211 PRESSURE: 223400 -86.9445 -363.872 -27.6784 -363.872 -73.469 -197.507 -27.6779 -197.508 -75.1976 GPRESSURE: 223400 -154.599 -361.591 -160.534 -377.2 41.5864 -192.884 -22.9441 -157.886 -61.7168 PRESSAVG: 223400 -14.8855 -68.4548 -25.7111 -68.4547 18.6484 -35.6253 -25.7111 -35.6253 16.9201 GPRESSAVG: 223400 -13.0769 -66.4126 -26.0272 -68.0391 16.9203 -35.6121 -24.3962 -35.695 16.9828 TIMING: 223400 CPU: 702.738, 0.00313038/step Wall: 702.738, 0.00313038/step, 4.1535 hours remaining, 233.750000 MB of memory in use. ENERGY: 223400 3964.8712 20478.5908 14541.9114 238.8498 -203787.6545 2487.9754 0.0000 0.0000 52235.2666 -109840.1894 300.1968 -162075.4559 -109473.4544 299.2570 -78.5370 -58.2433 758330.8934 6.8943 6.9421 PRESSURE: 223600 112.312 74.0758 -15.3529 74.076 -106.258 119.192 -15.3528 119.192 30.1315 GPRESSURE: 223600 171.856 41.1844 4.90725 29.0951 -35.1053 83.4488 64.8985 -35.9849 -18.2555 PRESSAVG: 223600 37.0162 -33.4254 -9.60599 -33.4254 -16.2589 -31.392 -9.606 -31.392 12.5845 GPRESSAVG: 223600 35.3169 -35.1114 -8.86357 -31.7243 -14.7937 -30.9985 -10.0444 -30.1583 13.0878 TIMING: 223600 CPU: 703.365, 0.00313678/step Wall: 703.365, 0.00313678/step, 4.16181 hours remaining, 233.750000 MB of memory in use. ENERGY: 223600 3956.8978 20422.3909 14497.4228 241.0083 -203709.7089 2281.0160 0.0000 0.0000 52400.3826 -109910.5905 301.1457 -162310.9731 -109543.7991 299.5005 12.0618 39.4982 756452.3732 11.1139 11.2037 PRESSURE: 223800 219.592 -86.8981 31.768 -86.8988 -24.543 100.3 31.7689 100.301 479.351 GPRESSURE: 223800 247.784 -66.3085 88.3633 -224.647 78.7186 162.579 -43.0437 -68.0286 445.776 PRESSAVG: 223800 50.0835 -27.2058 -65.4524 -27.2058 -55.8739 -11.2841 -65.4523 -11.284 4.27212 GPRESSAVG: 223800 50.0771 -25.2325 -64.7595 -29.3421 -55.9449 -12.6865 -65.8018 -12.3403 4.10321 TIMING: 223800 CPU: 703.99, 0.00312472/step Wall: 703.99, 0.00312472/step, 4.14563 hours remaining, 233.750000 MB of memory in use. ENERGY: 223800 3932.5044 20422.6223 14508.4306 234.0102 -203884.6851 2793.8297 0.0000 0.0000 51963.1451 -110030.1428 298.6329 -161993.2879 -109669.5881 299.0316 224.8001 257.4263 757234.2021 -0.5061 -0.5882 PRESSURE: 224000 -285.956 -120.021 -2.701 -120.021 36.4141 -1.94269 -2.70101 -1.9453 -204.871 GPRESSURE: 224000 -271.721 -106.987 -17.7415 -131.547 96.4986 -48.6255 -87.1819 73.5014 -192.231 PRESSAVG: 224000 48.9394 -30.8957 -22.4702 -30.8957 -18.3974 -32.235 -22.4701 -32.235 9.32841 GPRESSAVG: 224000 49.4555 -31.7875 -24.1501 -28.4381 -17.9764 -31.4441 -21.3347 -33.5442 8.85851 TIMING: 224000 CPU: 704.618, 0.00313751/step Wall: 704.618, 0.00313751/step, 4.16243 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 224000 4008.6250 20531.5186 14498.3996 259.8650 -203554.4295 2377.8189 0.0000 0.0000 52025.8432 -109852.3593 298.9932 -161878.2025 -109483.2348 298.8597 -151.4710 -122.4846 759723.9094 13.2901 13.4458 PRESSURE: 224200 -301.626 -218.541 86.9423 -218.541 64.4443 -73.8849 86.9419 -73.886 -229.272 GPRESSURE: 224200 -186.745 4.62937 141.931 -321.83 -90.2864 -23.6216 48.0575 -154.71 -100.177 PRESSAVG: 224200 -22.6917 -79.8923 12.1075 -79.8923 28.8877 -11.0279 12.1075 -11.0279 0.186225 GPRESSAVG: 224200 -22.6524 -79.4251 13.7033 -81.4029 27.9683 -10.3275 11.4486 -9.6723 1.10781 TIMING: 224200 CPU: 705.246, 0.00314072/step Wall: 705.246, 0.00314072/step, 4.16651 hours remaining, 233.750000 MB of memory in use. ENERGY: 224200 3968.0470 20516.2063 14527.4881 248.7814 -203176.8545 2346.4870 0.0000 0.0000 51836.2073 -109733.6374 297.9034 -161569.8447 -109365.3952 299.5716 -155.4845 -125.7361 760301.2894 2.1274 2.1412 LDB: ============= START OF LOAD BALANCING ============== 717.646 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 717.646 LDB: =============== DONE WITH MIGRATION ================ 717.648 LDB: ============= START OF LOAD BALANCING ============== 717.963 LDB: Largest compute 7073 load 0.033566 is 17.2% of average load 0.195562 LDB: Average compute 0.004376 is 2.2% of average load 0.195562 LDB: TIME 717.966 LOAD: AVG 0.195562 MAX 0.214894 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.617 MB LDB: TIME 717.966 LOAD: AVG 0.195562 MAX 0.214894 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.621 MB LDB: TIME 717.967 LOAD: AVG 0.195562 MAX 0.214894 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.621 MB LDB: ============== END OF LOAD BALANCING =============== 717.968 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 717.973 PRESSURE: 224400 -329.581 -143.149 -4.89875 -143.149 -232.978 -74.7469 -4.89917 -74.7472 -109.348 GPRESSURE: 224400 -346.94 -179.999 35.2018 -25.6534 -213.972 -114.588 67.246 -38.3866 -31.5595 PRESSAVG: 224400 3.24342 -88.4844 -5.66715 -88.4845 -5.17283 -34.4967 -5.66712 -34.4968 -2.81203 GPRESSAVG: 224400 3.7309 -89.1257 -5.58229 -89.3554 -5.47482 -35.3043 -5.49885 -34.9445 -2.72694 TIMING: 224400 CPU: 705.891, 0.00322617/step Wall: 705.891, 0.00322617/step, 4.2797 hours remaining, 232.269531 MB of memory in use. ENERGY: 224400 3969.1581 20469.1575 14482.7737 244.9828 -203419.3281 2203.3245 0.0000 0.0000 52220.9891 -109828.9424 300.1147 -162049.9314 -109460.7610 298.9310 -223.9693 -197.4906 759478.6261 -1.5805 -1.4903 PRESSURE: 224600 111.754 -125.596 -193.497 -125.596 160.233 30.418 -193.497 30.4176 261.289 GPRESSURE: 224600 129.421 -38.8535 -121.51 -150.314 157.819 -29.9454 -277.508 110.513 327.259 PRESSAVG: 224600 -26.1101 -43.5986 1.6648 -43.5986 -12.9555 -5.97495 1.66477 -5.97498 -3.22314 GPRESSAVG: 224600 -26.6886 -44.8306 -0.0771433 -43.9802 -12.0168 -7.19654 1.30891 -4.86987 -3.39841 TIMING: 224600 CPU: 706.519, 0.00313911/step Wall: 706.519, 0.00313911/step, 4.16403 hours remaining, 232.500000 MB of memory in use. ENERGY: 224600 3876.4485 20489.5501 14414.1472 227.6532 -203437.4583 2463.2927 0.0000 0.0000 52104.6237 -109861.7429 299.4460 -161966.3666 -109502.2653 299.0341 177.7583 204.8329 759554.9652 -14.0962 -14.0346 PRESSURE: 224800 -178.149 220.983 -90.6475 220.984 -221.292 -73.2025 -90.6471 -73.2015 -120.509 GPRESSURE: 224800 -60.1197 248.87 -191.192 202.242 -289.928 1.11292 8.20792 -65.2298 -82.8777 PRESSAVG: 224800 93.2584 -7.36302 40.5009 -7.363 -70.009 -47.8868 40.5009 -47.8869 -18.0676 GPRESSAVG: 224800 93.6061 -6.2197 43.0796 -5.56743 -69.369 -47.1253 39.4137 -50.3218 -18.8824 TIMING: 224800 CPU: 707.15, 0.003154/step Wall: 707.15, 0.003154/step, 4.18361 hours remaining, 232.500000 MB of memory in use. ENERGY: 224800 3953.5347 20429.3989 14408.9042 255.8395 -204144.4173 2862.0340 0.0000 0.0000 52198.9111 -110035.7949 299.9879 -162234.7060 -109673.6295 298.2707 -173.3166 -144.3086 759858.3895 1.7273 1.7849 PRESSURE: 225000 -66.5343 -181.767 -2.10902 -181.767 -153.488 40.316 -2.10937 40.3165 -373.647 GPRESSURE: 225000 -57.0175 -45.5115 26.9929 -164.119 -170.441 19.3289 42.3629 -46.9794 -308.869 PRESSAVG: 225000 16.1678 25.1234 26.2311 25.1233 -1.39393 25.1416 26.231 25.1416 8.03362 GPRESSAVG: 225000 16.0682 24.5166 24.7228 24.3353 -3.10597 27.1073 27.9051 26.4259 9.17853 TIMING: 225000 CPU: 707.779, 0.00314615/step Wall: 707.779, 0.00314615/step, 4.17302 hours remaining, 232.500000 MB of memory in use. ENERGY: 225000 4006.6012 20507.2776 14464.0361 259.1764 -203463.3093 2376.4758 0.0000 0.0000 51709.0114 -110140.7308 297.1724 -161849.7422 -109781.3534 298.2878 -197.8896 -178.7759 759478.9572 7.6025 7.3803 PRESSURE: 225200 172.151 -81.6985 86.6667 -81.6981 154.914 177.764 86.6664 177.763 66.2413 GPRESSURE: 225200 184.572 -87.3529 86.6222 1.12938 101.521 120.337 -91.2783 214.771 214.569 PRESSAVG: 225200 -8.10495 16.9894 31.2113 16.9894 8.01351 29.7234 31.2113 29.7234 13.9348 GPRESSAVG: 225200 -7.51165 16.0895 30.9456 19.2653 8.14218 27.1507 32.0504 30.6532 13.3202 TIMING: 225200 CPU: 708.406, 0.00313793/step Wall: 708.406, 0.00313793/step, 4.16194 hours remaining, 232.500000 MB of memory in use. ENERGY: 225200 3934.3899 20437.9032 14394.0330 251.7441 -203365.6603 2318.4382 0.0000 0.0000 52019.5202 -110009.6317 298.9569 -162029.1519 -109654.0249 297.9119 131.1022 166.8876 758058.0892 4.6144 4.6502 PRESSURE: 225400 -28.7818 83.0406 40.1093 83.0415 -151.515 88.1332 40.1092 88.1328 -90.5987 GPRESSURE: 225400 -71.0258 69.0482 104.625 100.925 -65.1146 127.33 -39.5374 123.012 -25.8005 PRESSAVG: 225400 53.5587 -3.1105 30.4087 -3.11045 6.56752 -1.03584 30.4087 -1.03589 11.6724 GPRESSAVG: 225400 52.3772 -0.939204 31.7942 -6.18085 7.76536 0.898048 31.5779 -0.404567 12.5068 TIMING: 225400 CPU: 709.036, 0.00314905/step Wall: 709.036, 0.00314905/step, 4.17652 hours remaining, 232.500000 MB of memory in use. ENERGY: 225400 3982.8419 20481.8178 14371.0671 250.6373 -203581.0244 2337.1596 0.0000 0.0000 52015.6053 -110141.8955 298.9344 -162157.5008 -109781.2165 298.5393 -90.2985 -53.9803 757938.5224 23.9329 24.2164 PRESSURE: 225600 -140.624 163.854 -73.1652 163.853 -183.257 33.3858 -73.1658 33.3869 -290.835 GPRESSURE: 225600 -82.1368 133.148 -21.662 11.6675 -118.621 40.1901 -132.339 130.195 -314.594 PRESSAVG: 225600 11.1657 -9.11598 -2.08495 -9.11596 -18.7073 6.46491 -2.08498 6.46494 6.29343 GPRESSAVG: 225600 12.4523 -10.1009 -1.50923 -5.93706 -19.7879 4.97949 -4.86794 5.14465 5.95949 TIMING: 225600 CPU: 709.665, 0.00314629/step Wall: 709.665, 0.00314629/step, 4.17268 hours remaining, 232.500000 MB of memory in use. ENERGY: 225600 3964.7091 20383.1326 14421.8083 255.0772 -203256.9965 2404.6826 0.0000 0.0000 51695.7822 -110131.8045 297.0964 -161827.5867 -109783.0056 297.9831 -204.9052 -171.7840 760383.8755 -0.4160 -0.4587 PRESSURE: 225800 121.308 -167.677 -19.2796 -167.679 62.7264 -53.4407 -19.2801 -53.4413 -74.0171 GPRESSURE: 225800 211.046 -164.378 -98.1144 -214.372 42.9919 6.51348 105.541 -46.0162 -74.8795 PRESSAVG: 225800 24.0937 -26.8573 2.74403 -26.8573 26.5928 9.72226 2.74408 9.72222 23.4168 GPRESSAVG: 225800 23.9091 -28.7875 2.00021 -25.319 26.9871 11.5153 2.82895 8.61575 22.7446 TIMING: 225800 CPU: 710.295, 0.0031468/step Wall: 710.295, 0.0031468/step, 4.17319 hours remaining, 232.500000 MB of memory in use. ENERGY: 225800 3959.7419 20384.1199 14450.5571 251.9675 -203702.9643 2579.0391 0.0000 0.0000 51835.3848 -110242.1540 297.8987 -162077.5388 -109882.5969 297.9639 36.6725 59.7196 759417.6496 24.7011 24.5469 PRESSURE: 226000 -20.886 -244.788 36.0613 -244.787 -71.8058 -106.626 36.0611 -106.626 -0.454041 GPRESSURE: 226000 45.059 -258.146 42.8677 -215.833 -6.61357 -25.2088 109.619 -132.679 -37.0846 PRESSAVG: 226000 -33.6934 -12.5203 -37.6855 -12.5202 -14.3575 21.3773 -37.6854 21.3773 0.67995 GPRESSAVG: 226000 -34.2736 -10.0998 -38.2209 -16.1482 -14.3234 21.4719 -36.1072 23.3217 0.977642 TIMING: 226000 CPU: 710.926, 0.00315511/step Wall: 710.926, 0.00315511/step, 4.18403 hours remaining, 232.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 226000 3987.6490 20519.1648 14410.9558 235.7435 -203736.3481 2602.9613 0.0000 0.0000 51953.8444 -110026.0295 298.5795 -161979.8739 -109682.4881 298.2655 -31.0486 0.4536 760390.8542 -15.7903 -15.8731 PRESSURE: 226200 -136.48 49.8203 379.939 49.8203 36.2113 -102.543 379.938 -102.544 152.896 GPRESSURE: 226200 -131.955 -35.2245 250.59 120.882 112.405 -182.07 182.013 -85.3572 152.895 PRESSAVG: 226200 24.6287 -24.0922 -24.5343 -24.0922 -9.15335 -59.1963 -24.5343 -59.1962 -17.1258 GPRESSAVG: 226200 24.8188 -24.3507 -24.3765 -23.2258 -9.41294 -58.207 -27.7839 -61.5395 -17.0892 TIMING: 226200 CPU: 711.554, 0.00314161/step Wall: 711.554, 0.00314161/step, 4.16594 hours remaining, 232.500000 MB of memory in use. ENERGY: 226200 3967.1314 20391.3238 14422.6904 231.6047 -203282.4422 2462.3215 0.0000 0.0000 52079.4307 -109727.9399 299.3012 -161807.3705 -109362.7845 298.6679 17.5425 44.4484 760323.1041 -0.5502 -0.5611 PRESSURE: 226400 403.712 -53.173 -67.3076 -53.1736 125.476 123.84 -67.3083 123.84 300.987 GPRESSURE: 226400 389.638 -214.781 -78.8586 -17.0324 188.112 162.346 103.652 174.454 334.602 PRESSAVG: 226400 -26.3968 -54.5372 -15.2364 -54.5372 -31.4368 15.6205 -15.2364 15.6205 -2.40989 GPRESSAVG: 226400 -28.0944 -57.8482 -15.0382 -54.5176 -31.1848 12.2115 -12.9637 18.1015 -1.49479 TIMING: 226400 CPU: 712.186, 0.0031571/step Wall: 712.186, 0.0031571/step, 4.18631 hours remaining, 232.500000 MB of memory in use. ENERGY: 226400 3946.9704 20508.2361 14337.4815 228.3800 -203533.3128 2731.9880 0.0000 0.0000 52126.8190 -109653.4377 299.5735 -161780.2567 -109300.2339 299.1914 276.7251 304.1175 760752.8760 -20.0812 -20.2580 PRESSURE: 226600 -23.0848 -185.876 5.18604 -185.875 -8.17192 -28.9673 5.18604 -28.9674 -120.913 GPRESSURE: 226600 -50.8287 -189.178 -84.2669 -139.231 94.7775 -5.26991 63.9491 -167.926 -95.575 PRESSAVG: 226600 24.1602 -48.9365 -22.4933 -48.9365 28.7507 -16.8035 -22.4932 -16.8035 -8.55412 GPRESSAVG: 226600 24.9842 -46.4432 -22.9106 -48.0896 29.1124 -15.7454 -20.529 -16.6968 -9.50167 TIMING: 226600 CPU: 712.816, 0.00315154/step Wall: 712.816, 0.00315154/step, 4.17877 hours remaining, 232.500000 MB of memory in use. ENERGY: 226600 3990.1280 20545.7936 14429.3215 252.2910 -203675.5754 2538.2073 0.0000 0.0000 52180.9631 -109738.8708 299.8847 -161919.8339 -109373.4497 298.9878 -50.7232 -17.2087 759924.2665 14.7856 14.8650 PRESSURE: 226800 79.7621 -231.056 -30.2273 -231.056 -96.0861 -163.362 -30.2283 -163.364 -433.226 GPRESSURE: 226800 81.0611 -358.3 -98.1934 -117.722 -87.4792 -145.337 -0.369482 -215.328 -380.982 PRESSAVG: 226800 -69.1267 -39.912 -0.148433 -39.912 19.9546 -11.5332 -0.14843 -11.5331 15.6222 GPRESSAVG: 226800 -69.2663 -40.6546 -0.440715 -40.8445 19.2402 -12.6771 -0.874478 -13.596 16.5685 TIMING: 226800 CPU: 713.449, 0.00316387/step Wall: 713.449, 0.00316387/step, 4.19494 hours remaining, 232.500000 MB of memory in use. ENERGY: 226800 3984.5680 20663.1119 14471.7500 256.5589 -203043.7417 2084.9521 0.0000 0.0000 51923.4005 -109659.4003 298.4045 -161582.8008 -109294.1067 298.8067 -149.8500 -129.1334 759405.4389 -11.1833 -11.1525 PRESSURE: 227000 95.2437 -30.1178 155.167 -30.1177 -8.63755 33.9392 155.168 33.9388 263.145 GPRESSURE: 227000 103.802 -22.8734 24.9565 -16.011 62.63 18.5714 127.367 116.673 265.466 PRESSAVG: 227000 -30.5785 -3.05265 34.5132 -3.05263 18.8988 -26.1243 34.5132 -26.1243 20.3019 GPRESSAVG: 227000 -30.2596 -2.80078 32.9863 -1.70828 19.6163 -26.5376 33.7754 -26.0693 18.8396 TIMING: 227000 CPU: 714.08, 0.0031593/step Wall: 714.08, 0.0031593/step, 4.18871 hours remaining, 232.500000 MB of memory in use. ENERGY: 227000 3977.5998 20543.5030 14445.1230 255.2768 -203451.4036 2609.9187 0.0000 0.0000 52108.9686 -109511.0137 299.4710 -161619.9823 -109156.6836 299.8068 116.5836 143.9659 759465.5757 2.8741 2.7321 PRESSURE: 227200 -212.907 19.5577 -77.0135 19.5577 237.559 -118.596 -77.0141 -118.596 -529.598 GPRESSURE: 227200 -170.204 139.236 -87.0515 3.15529 263.82 -159.516 -177.183 15.538 -510.222 PRESSAVG: 227200 -46.4939 21.5014 -10.2288 21.5014 20.3514 -72.9674 -10.2288 -72.9673 3.14785 GPRESSAVG: 227200 -46.351 20.8825 -7.98162 21.0877 19.4473 -71.0912 -11.0637 -72.5041 3.88016 TIMING: 227200 CPU: 714.713, 0.00316041/step Wall: 714.713, 0.00316041/step, 4.19001 hours remaining, 232.500000 MB of memory in use. ENERGY: 227200 4035.7758 20313.3702 14395.1622 253.6958 -203145.0038 2366.7528 0.0000 0.0000 52243.1200 -109537.1270 300.2419 -161780.2470 -109157.0088 299.0654 -168.3153 -138.8688 762325.2214 -7.6649 -7.6745 PRESSURE: 227400 99.293 142.453 -40.9985 142.454 57.5069 -187.76 -40.9977 -187.761 -38.4011 GPRESSURE: 227400 144.13 88.9683 -80.7314 165.747 73.5842 -190.576 -104.498 -195.813 -11.8027 PRESSAVG: 227400 -19.5818 18.1142 -11.2009 18.1142 68.7335 -89.7391 -11.2008 -89.7391 -7.87119 GPRESSAVG: 227400 -20.4994 18.628 -12.4459 17.5372 69.2853 -90.2743 -10.5376 -91.1049 -7.13259 TIMING: 227400 CPU: 715.343, 0.00315217/step Wall: 715.343, 0.00315217/step, 4.17891 hours remaining, 232.500000 MB of memory in use. ENERGY: 227400 3942.6169 20486.0648 14475.1793 243.2613 -203438.9606 2422.5053 0.0000 0.0000 52210.4070 -109658.9260 300.0539 -161869.3329 -109286.0681 299.4343 39.4663 68.6372 760467.8031 13.7602 13.8845 PRESSURE: 227600 -254.393 49.8041 82.1716 49.8045 -129.809 49.7817 82.1716 49.7811 -264.437 GPRESSURE: 227600 -308.814 13.5724 62.1336 2.87613 -93.3327 47.0126 -30.8721 44.7201 -152.414 PRESSAVG: 227600 -15.2772 -11.9088 -19.5617 -11.9088 34.8048 9.09886 -19.5616 9.0989 -24.2753 GPRESSAVG: 227600 -14.7752 -10.2017 -19.4779 -14.1313 34.6249 10.0071 -19.9495 8.33643 -24.7703 TIMING: 227600 CPU: 715.973, 0.00315138/step Wall: 715.973, 0.00315138/step, 4.17768 hours remaining, 232.500000 MB of memory in use. ENERGY: 227600 4025.8368 20418.3797 14422.3819 231.4614 -203357.4007 2361.7410 0.0000 0.0000 52365.3122 -109532.2878 300.9442 -161897.5999 -109164.0440 299.4728 -216.2129 -184.8536 761574.4623 -1.5826 -1.6402 PRESSURE: 227800 -164.76 105.904 102.23 105.903 15.121 -23.5747 102.23 -23.5743 196.782 GPRESSURE: 227800 -24.1147 181.452 81.2343 72.279 94.019 -200.015 35.9491 -0.088147 45.1758 PRESSAVG: 227800 1.81015 12.7328 41.5479 12.7328 14.3116 -23.1304 41.5479 -23.1304 21.8295 GPRESSAVG: 227800 2.24692 10.2762 42.8476 16.2729 14.1688 -22.9975 40.3125 -20.2131 21.3463 TIMING: 227800 CPU: 716.607, 0.00316778/step Wall: 716.607, 0.00316778/step, 4.19924 hours remaining, 232.500000 MB of memory in use. ENERGY: 227800 3942.2857 20410.2156 14429.8535 278.6619 -203511.9772 2412.5760 0.0000 0.0000 52446.0329 -109592.3515 301.4081 -162038.3845 -109233.3358 299.2658 15.7144 38.3600 760262.8218 12.6504 12.5873 PRESSURE: 228000 -394.753 201.893 55.9272 201.893 260.987 -254.974 55.9269 -254.975 -70.9681 GPRESSURE: 228000 -365.592 197.077 41.0507 87.7364 270.084 -224.786 53.0195 -369.732 -28.0241 PRESSAVG: 228000 -57.0751 43.8363 -7.6373 43.8362 48.3256 40.6726 -7.63733 40.6725 -18.6485 GPRESSAVG: 228000 -57.6366 45.2577 -8.63819 41.1393 47.4642 39.0537 -6.33324 41.1095 -17.1265 TIMING: 228000 CPU: 717.241, 0.00316938/step Wall: 717.241, 0.00316939/step, 4.2012 hours remaining, 232.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 228000 4000.8113 20504.5098 14494.6038 243.6676 -203473.3523 2610.6464 0.0000 0.0000 51829.0784 -109790.0349 297.8624 -161619.1133 -109437.3354 298.7908 -68.2449 -41.1774 761507.8461 -9.1327 -9.0996 PRESSURE: 228200 -170.148 91.3837 -80.2363 91.383 -237.895 88.9059 -80.237 88.9046 130.044 GPRESSURE: 228200 -167.54 -80.3252 -90.0138 81.5301 -190.553 64.6655 100.021 -3.54463 158.272 PRESSAVG: 228200 -46.0814 41.1121 43.8833 41.1121 44.5996 -64.2614 43.8834 -64.2613 19.7258 GPRESSAVG: 228200 -46.1897 42.1874 43.6314 42.5191 45.1186 -62.7564 45.5908 -65.996 19.267 TIMING: 228200 CPU: 717.871, 0.00315352/step Wall: 717.871, 0.00315352/step, 4.17999 hours remaining, 232.500000 MB of memory in use. ENERGY: 228200 4025.6572 20463.2677 14494.9347 238.7344 -203381.4119 2363.8916 0.0000 0.0000 51868.9761 -109925.9501 298.0917 -161794.9262 -109574.2771 298.5768 -92.6664 -66.6067 761516.2185 6.0814 6.0653 LDB: ============= START OF LOAD BALANCING ============== 730.27 LDB: ============== END OF LOAD BALANCING =============== 730.271 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 730.272 LDB: ============= START OF LOAD BALANCING ============== 730.591 LDB: Largest compute 7073 load 0.031589 is 16.2% of average load 0.195569 LDB: Average compute 0.004406 is 2.3% of average load 0.195569 LDB: TIME 730.595 LOAD: AVG 0.195569 MAX 0.214761 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.215 MB LDB: TIME 730.595 LOAD: AVG 0.195569 MAX 0.214761 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.215 MB LDB: TIME 730.595 LOAD: AVG 0.195569 MAX 0.214761 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 730.597 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 730.602 PRESSURE: 228400 -108.74 -20.6918 -189.022 -20.6908 -179.248 138.482 -189.021 138.482 -346.655 GPRESSURE: 228400 -130.426 -33.6457 -217.97 12.3503 -147.207 117.236 -191.958 32.1403 -305.271 PRESSAVG: 228400 -31.1108 -35.0309 -32.8569 -35.031 7.84281 9.57631 -32.8568 9.57636 5.19106 GPRESSAVG: 228400 -31.9027 -35.3382 -33.2541 -35.7421 8.43982 11.2372 -34.0836 8.5793 5.15634 TIMING: 228400 CPU: 718.519, 0.00323979/step Wall: 718.519, 0.00323979/step, 4.29416 hours remaining, 232.781250 MB of memory in use. ENERGY: 228400 4031.6311 20471.8114 14492.8975 227.9119 -203314.8640 2333.5785 0.0000 0.0000 51880.8441 -109876.1896 298.1599 -161757.0337 -109512.4559 297.8791 -211.5476 -194.3012 762649.1791 -6.0256 -6.1022 PRESSURE: 228600 19.089 -35.9634 -162.122 -35.9632 52.5009 -62.8055 -162.121 -62.8057 -78.7071 GPRESSURE: 228600 42.4653 32.2472 -126.818 -43.56 103.45 -11.4964 -95.6986 -58.4375 -72.9287 PRESSAVG: 228600 19.8916 -47.9746 -66.541 -47.9746 22.3954 5.61122 -66.541 5.61129 16.9839 GPRESSAVG: 228600 19.8024 -50.7576 -63.8766 -44.3167 22.9751 3.33652 -66.7087 5.90409 16.2203 TIMING: 228600 CPU: 719.151, 0.00316037/step Wall: 719.151, 0.00316037/step, 4.18872 hours remaining, 232.781250 MB of memory in use. ENERGY: 228600 4071.4187 20606.4509 14443.7663 255.9579 -203246.4273 2335.4237 0.0000 0.0000 51610.8374 -109922.5724 296.6082 -161533.4098 -109569.9251 298.6530 -2.3724 24.3290 760293.3829 19.7570 19.6659 PRESSURE: 228800 -6.18849 78.159 27.8282 78.1585 -106.694 115.573 27.828 115.574 -62.161 GPRESSURE: 228800 40.0734 4.50969 76.7524 -13.9878 -155.551 109.449 25.3861 166.164 26.5668 PRESSAVG: 228800 -36.5192 -19.3396 -14.8598 -19.3396 23.333 9.59013 -14.8598 9.59009 -2.44356 GPRESSAVG: 228800 -35.6762 -17.6906 -15.8894 -22.1659 22.4103 9.67633 -15.2928 8.42447 -1.69065 TIMING: 228800 CPU: 719.784, 0.00316339/step Wall: 719.784, 0.00316339/step, 4.19255 hours remaining, 232.781250 MB of memory in use. ENERGY: 228800 3958.6681 20544.3170 14432.3563 239.0425 -203702.4320 2541.7547 0.0000 0.0000 52187.7264 -109798.5670 299.9236 -161986.2934 -109433.3802 298.9950 -58.3477 -29.6368 759998.2262 -5.2099 -4.9855 PRESSURE: 229000 464.549 -86.0727 35.7598 -86.0734 7.88314 -321.914 35.7601 -321.915 305.43 GPRESSURE: 229000 458.97 -52.806 92.1994 -156.05 96.8773 -209.976 48.6019 -222.074 315.292 PRESSAVG: 229000 -15.5319 -6.26591 -3.15741 -6.26599 68.588 2.59479 -3.15736 2.5947 -6.16971 GPRESSAVG: 229000 -16.1283 -6.15801 -3.67035 -6.65987 68.9713 3.18796 -1.46025 3.60628 -6.39554 TIMING: 229000 CPU: 720.421, 0.00318539/step Wall: 720.421, 0.00318539/step, 4.22153 hours remaining, 232.781250 MB of memory in use. ENERGY: 229000 3923.6567 20480.0426 14467.7859 264.6080 -203751.7998 2677.8982 0.0000 0.0000 51939.3657 -109998.4427 298.4962 -161937.8085 -109634.1561 299.0216 259.2873 290.3796 758763.2128 15.6288 15.4825 PRESSURE: 229200 -60.8609 -227.395 38.2122 -227.395 -515.833 -34.3684 38.212 -34.3678 -108.247 GPRESSURE: 229200 25.0883 -217.249 102.663 -202.425 -519.639 -7.26681 -27.2449 -82.4369 -98.8165 PRESSAVG: 229200 38.9585 -41.1159 -59.1282 -41.1159 -12.1214 37.1014 -59.1282 37.1014 1.96777 GPRESSAVG: 229200 38.4701 -40.6755 -59.3858 -40.8976 -11.7722 36.9398 -59.0633 37.6708 2.11813 TIMING: 229200 CPU: 721.053, 0.00315876/step Wall: 721.053, 0.00315876/step, 4.18606 hours remaining, 232.781250 MB of memory in use. ENERGY: 229200 4063.6146 20429.8432 14414.7004 250.4446 -203686.0935 2345.7307 0.0000 0.0000 51995.0758 -110186.6841 298.8164 -162181.7600 -109811.5935 298.4132 -228.3138 -197.7891 760772.2101 9.6016 9.6053 PRESSURE: 229400 -181.077 -23.3731 -210.482 -23.3723 -188.076 21.1517 -210.483 21.1525 -194.519 GPRESSURE: 229400 -150.616 -39.4208 -209.82 -18.3734 -160.774 -113.65 -180.017 26.8347 -168.599 PRESSAVG: 229400 42.4813 -41.4365 -39.0195 -41.4365 -47.2723 -20.9042 -39.0194 -20.9042 -6.55642 GPRESSAVG: 229400 43.148 -41.2913 -37.8552 -42.1727 -48.1757 -20.7019 -41.8317 -21.0923 -6.33728 TIMING: 229400 CPU: 721.687, 0.00317142/step Wall: 721.687, 0.00317142/step, 4.20267 hours remaining, 232.781250 MB of memory in use. ENERGY: 229400 3990.5436 20597.7004 14333.7252 231.4680 -203312.8014 2269.8190 0.0000 0.0000 51636.4194 -110253.1258 296.7552 -161889.5452 -109899.9524 298.2179 -187.8906 -159.9960 761808.7850 -3.7825 -3.7883 PRESSURE: 229600 -300.618 -46.3936 25.7602 -46.3942 -118.252 169.783 25.7598 169.783 56.3257 GPRESSURE: 229600 -279.307 8.97243 -7.45967 -48.223 -13.372 178.983 115.13 221.151 10.4393 PRESSAVG: 229600 23.0346 -9.34437 -7.40325 -9.34439 -21.2116 -25.0932 -7.40324 -25.0933 32.0774 GPRESSAVG: 229600 23.4097 -10.8032 -10.6003 -8.41039 -20.7129 -27.1808 -5.98055 -26.1143 31.1203 TIMING: 229600 CPU: 722.318, 0.00315298/step Wall: 722.318, 0.00315298/step, 4.17805 hours remaining, 232.781250 MB of memory in use. ENERGY: 229600 3986.9370 20544.9671 14483.7127 256.1684 -203397.5757 2310.9169 0.0000 0.0000 51717.6145 -110097.2590 297.2218 -161814.8736 -109741.6618 297.9590 -120.8482 -94.0799 759096.6481 11.3001 11.2723 PRESSURE: 229800 122.901 70.7756 240.996 70.7755 75.5733 47.9823 240.995 47.9828 -52.1747 GPRESSURE: 229800 106.574 54.2995 268.965 28.3704 40.7511 14.549 257.992 81.93 62.5501 PRESSAVG: 229800 -6.20227 -74.3046 12.8686 -74.3047 8.30679 -15.4471 12.8686 -15.4471 -12.7631 GPRESSAVG: 229800 -6.03356 -73.7933 15.0132 -75.5789 8.17465 -14.2836 13.4739 -15.2613 -12.894 TIMING: 229800 CPU: 722.947, 0.00314391/step Wall: 722.947, 0.00314391/step, 4.16585 hours remaining, 232.781250 MB of memory in use. ENERGY: 229800 3955.1397 20495.6403 14424.4042 237.5525 -203796.9647 2579.4158 0.0000 0.0000 51843.4015 -110261.4107 297.9447 -162104.8122 -109907.9194 298.4014 48.7667 69.9583 759484.6582 -3.5528 -3.5843 PRESSURE: 230000 -346.668 -152.257 164.921 -152.257 43.2017 -168.767 164.922 -168.767 -298.448 GPRESSURE: 230000 -229.23 -131.547 245.27 -109.627 20.0776 -225.952 205.183 -81.842 -310.455 PRESSAVG: 230000 -30.6424 -4.14697 52.0514 -4.14695 29.0613 6.01491 52.0515 6.01503 -10.0151 GPRESSAVG: 230000 -31.7525 -4.99584 52.8261 -4.46147 27.893 5.28243 51.0796 6.29305 -8.08731 TIMING: 230000 CPU: 723.578, 0.00315486/step Wall: 723.578, 0.00315486/step, 4.18019 hours remaining, 232.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 230000 4015.6464 20522.5137 14436.8429 234.2525 -203735.5461 2403.3341 0.0000 0.0000 51837.8572 -110285.0992 297.9129 -162122.9564 -109921.3857 298.3640 -200.6380 -173.2025 760255.7891 -3.8654 -3.9823 PRESSURE: 230200 45.9662 89.8353 62.4692 89.8354 251.211 -15.9209 62.4699 -15.9196 -137.544 GPRESSURE: 230200 23.312 51.3447 6.98294 59.7499 278.418 -61.0126 127.796 7.39603 -91.9733 PRESSAVG: 230200 -42.5008 -1.3576 -9.64684 -1.3576 13.8993 -5.50273 -9.64683 -5.50274 19.3567 GPRESSAVG: 230200 -41.3372 0.563561 -9.43228 -0.624015 13.7052 -5.58246 -7.57638 -5.95605 17.7352 TIMING: 230200 CPU: 724.21, 0.00316255/step Wall: 724.21, 0.00316255/step, 4.19021 hours remaining, 232.781250 MB of memory in use. ENERGY: 230200 4031.0808 20628.9074 14436.0402 256.7566 -204052.2716 2660.3300 0.0000 0.0000 51840.7186 -110198.4380 297.9293 -162039.1566 -109839.5948 298.3011 53.2110 69.9188 759799.9060 -3.0816 -3.2989 PRESSURE: 230400 81.7152 92.8794 -127.749 92.8794 -426.548 221.147 -127.749 221.147 -575.366 GPRESSURE: 230400 60.3551 127.592 -121.247 57.0545 -448.58 207.936 30.5543 170.286 -432.517 PRESSAVG: 230400 -22.3857 19.4253 -67.3215 19.4253 37.9246 29.5625 -67.3215 29.5626 -10.2738 GPRESSAVG: 230400 -23.9911 21.0316 -67.463 19.4526 38.5759 30.245 -68.6012 29.6206 -9.0769 TIMING: 230400 CPU: 724.842, 0.00315876/step Wall: 724.842, 0.00315876/step, 4.18501 hours remaining, 232.781250 MB of memory in use. ENERGY: 230400 4085.7852 20380.1133 14529.2461 230.9186 -203559.3105 2362.8937 0.0000 0.0000 51610.3508 -110360.0027 296.6054 -161970.3536 -109996.0634 298.0040 -306.7330 -273.5806 759569.4165 1.7551 1.8360 PRESSURE: 230600 -0.351174 -17.4186 -130.079 -17.4183 -278.943 -92.8036 -130.08 -92.8041 172.495 GPRESSURE: 230600 -50.9276 -27.9317 -160.699 -3.81503 -168.662 11.6062 -132.636 -19.9291 213.341 PRESSAVG: 230600 2.15489 15.4877 -19.0483 15.4876 -28.586 -12.7088 -19.0483 -12.7088 36.9815 GPRESSAVG: 230600 4.35402 13.0808 -20.2768 14.9598 -29.4039 -15.1573 -18.7099 -10.095 35.6 TIMING: 230600 CPU: 725.473, 0.00315518/step Wall: 725.473, 0.00315518/step, 4.18008 hours remaining, 232.781250 MB of memory in use. ENERGY: 230600 4006.9165 20448.4301 14347.2586 231.5870 -203665.1869 2376.3802 0.0000 0.0000 51746.6234 -110507.9912 297.3886 -162254.6146 -110152.0983 297.2773 -35.5999 -2.0828 760141.4628 3.5168 3.5167 PRESSURE: 230800 219.216 -85.9161 73.6991 -85.9164 132.919 87.318 73.6992 87.3182 22.4304 GPRESSURE: 230800 186.898 -4.1379 -7.94211 -142.974 291.336 133.375 69.6359 13.4377 -22.945 PRESSAVG: 230800 -26.406 -0.67315 0.644291 -0.673122 47.9183 24.108 0.644285 24.108 24.7173 GPRESSAVG: 230800 -26.4146 0.302699 0.44495 -1.61844 49.5173 24.5422 -1.31256 21.1066 23.9844 TIMING: 230800 CPU: 726.102, 0.00314459/step Wall: 726.102, 0.00314459/step, 4.16588 hours remaining, 232.781250 MB of memory in use. ENERGY: 230800 3967.9334 20345.8070 14392.1392 240.5689 -203743.1912 2364.2433 0.0000 0.0000 51876.7986 -110555.7008 298.1367 -162432.4994 -110194.1720 297.4207 124.8549 151.7628 760779.0370 15.4099 15.6957 PRESSURE: 231000 -240.063 115.402 49.1347 115.402 -41.4993 -15.2095 49.1343 -15.2084 66.4876 GPRESSURE: 231000 -231.406 93.4946 70.2264 127.963 -41.0301 -2.70593 97.5135 117.634 132.235 PRESSAVG: 231000 -27.0997 25.3103 -43.5365 25.3103 36.3954 3.30783 -43.5365 3.30782 -13.1756 GPRESSAVG: 231000 -28.4517 26.5182 -42.6346 26.3703 36.2822 4.0912 -43.1249 5.57132 -11.9806 TIMING: 231000 CPU: 726.732, 0.00314932/step Wall: 726.732, 0.00314932/step, 4.17197 hours remaining, 232.781250 MB of memory in use. ENERGY: 231000 4055.6237 20523.5841 14346.4687 238.0770 -204137.5416 2676.1101 0.0000 0.0000 51692.4895 -110605.1886 297.0774 -162297.6781 -110254.9963 296.7879 -71.6917 -46.7338 758937.3127 -1.2933 -1.3834 PRESSURE: 231200 -35.1584 143.151 -50.8025 143.152 -291.519 210.683 -50.8025 210.684 156.586 GPRESSURE: 231200 23.0951 217.834 -53.0557 52.0699 -313.681 162.436 -91.0423 257.026 172.572 PRESSAVG: 231200 42.2112 55.3654 7.53838 55.3654 -4.74233 39.3555 7.53835 39.3555 -15.6876 GPRESSAVG: 231200 43.2952 55.247 8.83786 54.2476 -5.17694 39.5006 5.21558 38.826 -17.0327 TIMING: 231200 CPU: 727.362, 0.00315082/step Wall: 727.362, 0.00315082/step, 4.17378 hours remaining, 232.781250 MB of memory in use. ENERGY: 231200 3938.1496 20520.4872 14354.4654 237.4851 -203712.1258 2687.1256 0.0000 0.0000 51533.2673 -110441.1456 296.1624 -161974.4129 -110077.8739 297.1044 -56.6971 -39.3381 761733.5236 7.2604 7.0285 PRESSURE: 231400 44.065 -32.4638 183.014 -32.4644 -183.223 118.219 183.014 118.22 -472.831 GPRESSURE: 231400 127.885 35.4417 154.334 155.884 -260.251 135.866 273.261 -51.6945 -401.848 PRESSAVG: 231400 -8.4216 58.8475 -67.1622 58.8474 -16.8512 21.7151 -67.1622 21.7151 -9.84131 GPRESSAVG: 231400 -8.88697 57.1713 -68.8042 61.2224 -17.8798 22.0437 -63.6522 21.6806 -7.9248 TIMING: 231400 CPU: 727.993, 0.00315512/step Wall: 727.993, 0.00315512/step, 4.1793 hours remaining, 232.781250 MB of memory in use. ENERGY: 231400 3960.0532 20528.6432 14307.4714 243.5874 -204081.2664 2741.5756 0.0000 0.0000 51835.3383 -110464.5974 297.8984 -162299.9357 -110104.0092 297.0176 -203.9964 -178.0713 760258.7808 -11.7047 -11.5639 PRESSURE: 231600 -159.467 -120.196 122.994 -120.197 51.8615 -4.55971 122.994 -4.55934 -279.805 GPRESSURE: 231600 -200.114 -100.805 32.5011 -4.95878 61.723 -17.5269 85.9328 9.85211 -143.381 PRESSAVG: 231600 -21.1346 -19.238 -32.7752 -19.238 23.402 -6.38645 -32.7753 -6.38648 -4.8427 GPRESSAVG: 231600 -21.6053 -18.0867 -33.2962 -20.2971 24.2818 -6.74261 -33.9623 -5.92393 -5.08524 TIMING: 231600 CPU: 728.627, 0.00317249/step Wall: 728.627, 0.00317249/step, 4.20215 hours remaining, 232.781250 MB of memory in use. ENERGY: 231600 3970.1839 20370.3445 14427.4820 241.1499 -203950.2004 2636.3992 0.0000 0.0000 51762.9957 -110541.6451 297.4826 -162304.6408 -110181.8229 297.5772 -129.1370 -93.9240 760372.7068 -0.8584 -0.8029 PRESSURE: 231800 -153.568 18.3625 -104.604 18.3618 -170.904 -6.04902 -104.604 -6.04856 211.773 GPRESSURE: 231800 -139.6 98.6487 -207.676 -1.08949 -75.7141 10.3391 -31.7249 78.0821 189.554 PRESSAVG: 231800 0.836088 17.4708 -34.7771 17.4707 -14.4011 32.691 -34.7771 32.6909 4.73049 GPRESSAVG: 231800 0.923386 17.3412 -33.3505 16.2064 -14.4635 32.9606 -35.6537 32.7407 4.89531 TIMING: 231800 CPU: 729.257, 0.00314754/step Wall: 729.257, 0.00314754/step, 4.16891 hours remaining, 232.781250 MB of memory in use. ENERGY: 231800 3936.8613 20271.3702 14483.5113 246.7794 -203553.6923 2379.6828 0.0000 0.0000 51918.6407 -110316.8465 298.3771 -162235.4872 -109946.6962 297.3455 -37.5663 -8.5868 761388.6133 -2.9449 -2.8816 PRESSURE: 232000 -232.752 -182.721 -95.0675 -182.722 217.314 -68.1318 -95.0681 -68.1305 392.979 GPRESSURE: 232000 -179.353 -163.001 -8.25752 -135.62 291.338 -116.312 -112.229 -18.3506 343.631 PRESSAVG: 232000 -22.708 -26.752 -7.1311 -26.7521 38.8074 32.8022 -7.13114 32.8022 -1.75804 GPRESSAVG: 232000 -22.1356 -25.4695 -7.8881 -25.4842 38.9637 33.4794 -5.87163 31.96 -2.58412 TIMING: 232000 CPU: 729.885, 0.00314009/step Wall: 729.885, 0.00314009/step, 4.15887 hours remaining, 232.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 232000 4070.8507 20546.1262 14436.7200 247.2085 -203809.9567 2614.9518 0.0000 0.0000 51743.9892 -110150.1102 297.3734 -161894.0994 -109799.1249 297.7603 125.8473 151.8720 760842.8587 4.7805 4.7480 PRESSURE: 232200 -275.332 -19.8733 152.912 -19.8744 -439.618 143.542 152.913 143.542 -177.236 GPRESSURE: 232200 -231.809 3.06698 97.8104 -13.7236 -397.333 144.261 -2.93417 87.9823 -176.843 PRESSAVG: 232200 -35.9306 -52.9731 28.2582 -52.9731 34.747 -32.6304 28.2582 -32.6305 -21.4693 GPRESSAVG: 232200 -35.5079 -53.3257 28.9072 -53.1279 34.9409 -33.0125 26.4727 -34.5525 -21.8867 TIMING: 232200 CPU: 730.517, 0.00315966/step Wall: 730.517, 0.00315966/step, 4.18461 hours remaining, 232.781250 MB of memory in use. ENERGY: 232200 3950.9792 20458.1015 14507.7650 258.8426 -203484.4890 2456.0768 0.0000 0.0000 51761.1815 -110091.5424 297.4722 -161852.7239 -109730.5557 297.8902 -297.3952 -268.6616 763071.4693 -7.5510 -7.4846 LDB: ============= START OF LOAD BALANCING ============== 742.916 LDB: ============== END OF LOAD BALANCING =============== 742.916 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 742.918 LDB: ============= START OF LOAD BALANCING ============== 743.231 LDB: Largest compute 7038 load 0.031552 is 16.1% of average load 0.195668 LDB: Average compute 0.004376 is 2.2% of average load 0.195668 LDB: TIME 743.235 LOAD: AVG 0.195668 MAX 0.216379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.758 MB LDB: TIME 743.235 LOAD: AVG 0.195668 MAX 0.216379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.773 MB LDB: TIME 743.235 LOAD: AVG 0.195668 MAX 0.216379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.773 MB LDB: ============== END OF LOAD BALANCING =============== 743.237 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 743.242 PRESSURE: 232400 60.7265 21.1911 -162.85 21.1911 -67.0203 90.9715 -162.849 90.9712 -249.154 GPRESSURE: 232400 62.187 2.95047 -130.915 -65.7307 -23.5737 84.2668 -170.946 66.9605 -196.091 PRESSAVG: 232400 -11.957 -6.53986 6.7895 -6.53988 -3.605 -10.5128 6.7894 -10.5129 15.6184 GPRESSAVG: 232400 -12.6063 -6.03867 4.70876 -6.41627 -4.93955 -11.3004 8.04242 -9.27194 16.2094 TIMING: 232400 CPU: 731.159, 0.0032126/step Wall: 731.159, 0.0032126/step, 4.25455 hours remaining, 232.269531 MB of memory in use. ENERGY: 232400 4010.9441 20332.4811 14451.1626 251.4176 -204009.4219 2652.6728 0.0000 0.0000 52153.4192 -110157.3246 299.7264 -162310.7438 -109796.8341 297.5929 -85.1494 -52.4925 760310.8975 0.0188 -0.4455 PRESSURE: 232600 -129.796 24.0739 156.893 24.0732 -63.3684 -66.713 156.893 -66.7133 344.523 GPRESSURE: 232600 -63.2281 19.6577 120.582 5.29688 -34.1748 13.6831 299.009 -23.2384 344.296 PRESSAVG: 232600 -15.1968 -26.053 43.9738 -26.053 1.06806 1.11862 43.9738 1.11862 18.6412 GPRESSAVG: 232600 -16.3825 -28.72 44.9481 -26.4136 2.39597 1.19594 45.062 0.209839 18.7583 TIMING: 232600 CPU: 731.792, 0.00316108/step Wall: 731.792, 0.00316108/step, 4.18615 hours remaining, 232.562500 MB of memory in use. ENERGY: 232600 3964.2176 20386.4644 14395.3221 245.6348 -203399.7341 2525.1574 0.0000 0.0000 51848.3116 -110034.6262 297.9730 -161882.9378 -109673.6291 298.2175 50.4528 82.2978 762806.5345 1.5042 1.5906 PRESSURE: 232800 -57.08 -164.931 -12.1584 -164.932 -346.033 33.2144 -12.1593 33.2142 76.3531 GPRESSURE: 232800 -62.7145 -82.5188 48.0567 -29.665 -230.878 31.4634 -2.92556 47.9843 40.6932 PRESSAVG: 232800 -13.1919 -63.7729 -43.7575 -63.7729 -45.2723 -0.638122 -43.7575 -0.638132 -24.605 GPRESSAVG: 232800 -11.9011 -62.6479 -45.6964 -62.4279 -46.084 -0.543532 -43.309 0.306549 -24.6396 TIMING: 232800 CPU: 732.423, 0.00315634/step Wall: 732.423, 0.00315634/step, 4.1797 hours remaining, 232.707031 MB of memory in use. ENERGY: 232800 4016.2025 20444.2678 14391.8120 248.7893 -203466.7999 2349.0823 0.0000 0.0000 52214.7591 -109801.8870 300.0789 -162016.6461 -109436.6718 298.7055 -108.9201 -84.2999 761329.8283 -27.6898 -27.5416 PRESSURE: 233000 -204.635 4.35277 -68.3512 4.35184 214.465 118.547 -68.3512 118.548 -309.256 GPRESSURE: 233000 -146.073 -70.7827 0.105255 -29.8948 196.86 100.444 5.43483 -12.4086 -274.087 PRESSAVG: 233000 -15.9355 11.8404 17.5771 11.8404 23.4225 -72.3443 17.5771 -72.3443 10.5722 GPRESSAVG: 233000 -16.8361 9.86815 21.3859 12.3988 24.8203 -71.0951 12.7934 -72.1532 9.84503 TIMING: 233000 CPU: 733.052, 0.00314617/step Wall: 733.052, 0.00314617/step, 4.16605 hours remaining, 232.707031 MB of memory in use. ENERGY: 233000 4024.8196 20365.9648 14364.2444 246.7675 -203739.7466 2629.1619 0.0000 0.0000 52178.1852 -109930.6033 299.8687 -162108.7885 -109552.4086 298.7550 -99.8089 -74.4332 759021.0081 6.0197 5.9431 PRESSURE: 233200 -20.9058 -0.169867 32.8394 -0.170303 39.5471 136.779 32.8391 136.78 69.7566 GPRESSURE: 233200 39.1671 207.711 -50.9381 -71.0021 12.2095 208.858 139.404 39.021 130.601 PRESSAVG: 233200 -36.14 -65.7482 65.5227 -65.7481 70.5153 31.6369 65.5227 31.6369 -1.56645 GPRESSAVG: 233200 -35.1941 -62.7529 64.1627 -68.9507 69.7231 30.6048 68.7311 31.6744 -0.62093 TIMING: 233200 CPU: 733.683, 0.00315488/step Wall: 733.683, 0.00315488/step, 4.17741 hours remaining, 232.707031 MB of memory in use. ENERGY: 233200 3931.3709 20334.8890 14419.9349 237.6022 -203490.9839 2548.3716 0.0000 0.0000 51965.0678 -110053.7474 298.6440 -162018.8152 -109683.1831 298.2086 29.4660 60.6591 760667.2647 10.9363 11.3027 PRESSURE: 233400 487.587 96.1838 -26.3021 96.1833 98.1952 -151.486 -26.3013 -151.485 26.3134 GPRESSURE: 233400 475.875 115.935 -57.7274 65.4995 134.289 -182.052 38.58 -40.2737 82.9464 PRESSAVG: 233400 21.5981 -7.08169 61.8897 -7.08165 -4.74819 -28.7438 61.8898 -28.7438 23.2174 GPRESSAVG: 233400 21.8364 -6.77538 61.8826 -4.74578 -4.64194 -30.3158 61.8594 -30.8312 23.2907 TIMING: 233400 CPU: 734.312, 0.00314578/step Wall: 734.312, 0.00314578/step, 4.16519 hours remaining, 232.707031 MB of memory in use. ENERGY: 233400 3936.7824 20388.3307 14440.8875 230.0047 -204113.6399 2962.9138 0.0000 0.0000 52200.6034 -109954.1175 299.9976 -162154.7209 -109594.5950 298.4986 204.0318 231.0368 758218.2835 13.3558 13.4951 PRESSURE: 233600 -168.948 131.57 332.665 131.569 380.267 115.623 332.665 115.623 -152.995 GPRESSURE: 233600 -25.95 73.6386 274.804 158.842 291.483 180.696 263.823 104.72 -115.383 PRESSAVG: 233600 -48.7371 11.7332 23.6729 11.7332 40.329 -22.7702 23.6729 -22.7702 12.8062 GPRESSAVG: 233600 -48.9665 10.48 22.1789 12.4377 40.9338 -20.3866 22.6665 -23.5107 12.468 TIMING: 233600 CPU: 734.944, 0.00315803/step Wall: 734.944, 0.00315803/step, 4.18123 hours remaining, 232.707031 MB of memory in use. ENERGY: 233600 3985.8708 20611.7743 14458.2834 236.5505 -203759.0933 2669.8681 0.0000 0.0000 51962.9112 -109833.8349 298.6316 -161796.7461 -109469.6585 298.3432 19.4414 50.0500 759389.6766 1.4661 1.4784 PRESSURE: 233800 -179.061 -55.1506 -87.3912 -55.1509 -116.604 125.558 -87.3907 125.558 66.5326 GPRESSURE: 233800 -144.125 -85.4013 -24.0932 -46.3365 4.72421 78.8554 -68.3195 243.604 2.6119 PRESSAVG: 233800 -47.3168 56.0289 9.4885 56.0289 25.1119 -93.6111 9.48843 -93.6111 4.75776 GPRESSAVG: 233800 -46.9656 55.3028 9.26489 55.8701 24.4753 -95.0392 11.1542 -91.0555 5.00116 TIMING: 233800 CPU: 735.572, 0.0031426/step Wall: 735.572, 0.0031426/step, 4.16063 hours remaining, 232.714844 MB of memory in use. ENERGY: 233800 3978.4532 20555.1384 14397.3830 263.3450 -203344.2056 2390.2227 0.0000 0.0000 51838.3191 -109921.3443 297.9155 -161759.6634 -109568.4252 298.7696 -76.3772 -45.5963 759917.8291 -5.8157 -5.8297 PRESSURE: 234000 -325.466 -189.249 -68.9068 -189.249 -185.513 85.0785 -68.9067 85.0781 -128.47 GPRESSURE: 234000 -328.731 -260.001 -102.417 -145.257 -139.657 50.9631 -5.91081 10.6084 -99.3132 PRESSAVG: 234000 -56.391 12.1436 42.1143 12.1436 60.1043 -10.1838 42.1143 -10.1838 7.00079 GPRESSAVG: 234000 -56.7343 14.0043 45.1013 12.7467 60.7026 -11.047 41.3462 -9.96448 6.59843 TIMING: 234000 CPU: 736.201, 0.00314312/step Wall: 736.201, 0.00314312/step, 4.16114 hours remaining, 232.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 234000 4101.8270 20490.8125 14436.0754 244.9927 -203749.8097 2506.7143 0.0000 0.0000 51966.9641 -110002.4236 298.6549 -161969.3877 -109654.8450 298.4982 -213.1498 -189.2336 758035.9738 3.5714 3.5222 PRESSURE: 234200 -183.649 119.427 120.209 119.428 84.6401 -262.657 120.209 -262.656 399.844 GPRESSURE: 234200 -81.2918 131.811 103.521 85.4225 90.2692 -327.169 -5.26161 -131.075 365.887 PRESSAVG: 234200 -15.701 -23.4825 -45.5166 -23.4826 10.3246 6.18239 -45.5166 6.18249 -4.96551 GPRESSAVG: 234200 -14.8847 -23.6639 -48.1347 -22.0214 10.1373 7.88166 -45.0431 6.84742 -5.17395 TIMING: 234200 CPU: 736.828, 0.00313355/step Wall: 736.828, 0.00313355/step, 4.14829 hours remaining, 232.707031 MB of memory in use. ENERGY: 234200 3960.7034 20457.9206 14319.0530 263.8069 -203485.1621 2426.4812 0.0000 0.0000 52071.9579 -109985.2391 299.2583 -162057.1970 -109624.1560 298.6181 100.2785 124.9548 757334.6363 -3.4473 -3.3071 PRESSURE: 234400 34.9646 9.20992 247.661 9.20929 167.183 212.933 247.662 212.933 100.072 GPRESSURE: 234400 81.0201 113.813 243.666 31.5385 214.916 35.7906 233.093 251.668 114.598 PRESSAVG: 234400 -42.0048 62.6099 70.6393 62.6099 18.557 -19.9145 70.6394 -19.9145 26.4729 GPRESSAVG: 234400 -42.8913 62.7462 72.7256 61.636 19.5955 -20.9485 69.3759 -21.3764 26.3804 TIMING: 234400 CPU: 737.461, 0.00316654/step Wall: 737.461, 0.00316654/step, 4.19179 hours remaining, 232.707031 MB of memory in use. ENERGY: 234400 3970.5969 20482.4694 14375.0054 255.6745 -203843.0286 2655.1726 0.0000 0.0000 52165.9962 -109938.1136 299.7987 -162104.1098 -109568.6486 298.8080 100.7399 136.8448 759544.4501 1.0084 1.0282 PRESSURE: 234600 80.6327 314.839 -37.2401 314.839 -257.29 -190.027 -37.2394 -190.027 -305.079 GPRESSURE: 234600 81.1984 287.902 -84.4333 173.106 -178.014 -196.824 -93.2401 -142.914 -291.595 PRESSAVG: 234600 6.10536 15.8244 57.4406 15.8244 -27.6903 10.7015 57.4405 10.7016 -14.3299 GPRESSAVG: 234600 6.22968 13.9983 56.5789 15.1952 -27.1451 10.0353 56.2149 12.2521 -14.0811 TIMING: 234600 CPU: 738.093, 0.00315864/step Wall: 738.093, 0.00315864/step, 4.18116 hours remaining, 232.707031 MB of memory in use. ENERGY: 234600 4025.0629 20551.4698 14408.8251 243.9583 -203700.3836 2630.3670 0.0000 0.0000 52136.1494 -109704.5510 299.6272 -161840.7003 -109362.4104 299.2144 -160.5787 -129.4701 759617.9694 -11.9716 -11.6655 PRESSURE: 234800 85.2963 100.978 -158.523 100.978 256.874 87.8374 -158.523 87.8367 -78.9095 GPRESSURE: 234800 66.5322 210.852 -106.931 136.422 268.035 50.7236 -181.226 -33.6979 -13.7515 PRESSAVG: 234800 -20.3739 49.058 -20.3071 49.0579 5.02019 -17.7736 -20.3071 -17.7736 -19.0806 GPRESSAVG: 234800 -19.1505 51.0121 -20.5539 47.787 4.38912 -16.9907 -19.2903 -18.3232 -19.544 TIMING: 234800 CPU: 738.721, 0.00314015/step Wall: 738.721, 0.00314015/step, 4.15651 hours remaining, 232.707031 MB of memory in use. ENERGY: 234800 3963.1624 20694.1211 14417.5254 237.9443 -204017.5220 2663.1562 0.0000 0.0000 52225.6666 -109815.9461 300.1416 -162041.6126 -109453.0059 299.3367 87.7537 106.9386 759074.8703 -11.4781 -11.4351 PRESSURE: 235000 -397.388 26.2205 -110.453 26.2211 -372.135 -56.3389 -110.453 -56.3388 -307.571 GPRESSURE: 235000 -372.339 110.681 -100.728 159.407 -289.617 -56.1264 -90.1068 -116.375 -334.899 PRESSAVG: 235000 19.6386 10.4157 -18.0629 10.4157 -24.9654 -7.39247 -18.0629 -7.39245 4.02141 GPRESSAVG: 235000 17.979 11.9473 -18.3062 9.85208 -24.4177 -8.57405 -16.4728 -7.22979 4.84179 TIMING: 235000 CPU: 739.353, 0.00316228/step Wall: 739.353, 0.00316228/step, 4.18563 hours remaining, 232.707031 MB of memory in use. ENERGY: 235000 3997.4175 20657.1080 14347.5091 248.3193 -203303.0082 2286.0541 0.0000 0.0000 51686.9742 -110079.6261 297.0458 -161766.6003 -109717.1318 298.6358 -359.0314 -332.2853 759932.1517 -0.4351 -0.5323 PRESSURE: 235200 -185.735 9.90813 103.457 9.90856 -476.501 -20.2795 103.457 -20.2784 -125.06 GPRESSURE: 235200 -185.897 -36.2574 90.2909 -85.456 -382.317 -27.8025 73.9514 -67.8979 -143.056 PRESSAVG: 235200 1.61404 45.4336 6.17111 45.4336 -36.1958 -17.1339 6.17109 -17.1339 47.8779 GPRESSAVG: 235200 2.61854 42.5839 6.84763 45.7918 -35.3835 -15.4491 4.99407 -18.5484 45.4719 TIMING: 235200 CPU: 739.985, 0.00315941/step Wall: 739.985, 0.00315941/step, 4.18165 hours remaining, 232.707031 MB of memory in use. ENERGY: 235200 3953.0676 20522.2700 14390.0957 241.0341 -203541.4889 2407.0283 0.0000 0.0000 52091.9999 -109935.9933 299.3734 -162027.9932 -109583.2731 298.3666 -262.4320 -237.0900 760002.7649 4.4321 4.2357 PRESSURE: 235400 -126.366 -21.3363 -271.028 -21.3369 112.303 -71.4261 -271.029 -71.4248 -315.882 GPRESSURE: 235400 -61.9218 -43.1759 -364.823 49.7144 102.298 -27.716 -234.902 -53.2238 -301.859 PRESSAVG: 235400 56.1477 -25.1913 20.7938 -25.1913 -56.8794 -7.41102 20.7938 -7.41098 -1.70054 GPRESSAVG: 235400 56.4242 -24.312 20.7405 -25.0034 -57.7787 -6.78268 21.8409 -6.09226 -0.291664 TIMING: 235400 CPU: 740.618, 0.00316477/step Wall: 740.618, 0.00316477/step, 4.18857 hours remaining, 232.707031 MB of memory in use. ENERGY: 235400 3949.4799 20477.5201 14352.4519 253.6805 -203216.1708 2219.8350 0.0000 0.0000 51959.3421 -110003.8613 298.6111 -161963.2034 -109628.9584 298.4850 -109.9816 -87.1609 759263.3419 -0.8107 -0.5487 PRESSURE: 235600 -79.5152 48.819 -133.405 48.8187 156.9 -243.961 -133.405 -243.962 262.874 GPRESSURE: 235600 -51.4668 -47.4118 -54.3137 -0.240095 188.47 -200.554 -85.704 -240.009 284.087 PRESSAVG: 235600 1.59528 -46.1894 32.3103 -46.1894 -4.78931 -14.7188 32.3104 -14.7188 30.9379 GPRESSAVG: 235600 1.06504 -46.0586 32.1038 -45.9172 -3.94067 -14.6028 32.2979 -14.305 30.5137 TIMING: 235600 CPU: 741.251, 0.00316274/step Wall: 741.251, 0.00316274/step, 4.18571 hours remaining, 232.707031 MB of memory in use. ENERGY: 235600 3915.5870 20537.7760 14399.0438 237.6400 -204019.6148 2638.8312 0.0000 0.0000 52196.3861 -110094.3507 299.9733 -162290.7368 -109726.6088 298.4520 113.4194 140.3634 757608.8760 9.2480 9.2127 PRESSURE: 235800 -268.601 8.49109 -152.982 8.4917 492.797 -82.1327 -152.982 -82.1323 -129.831 GPRESSURE: 235800 -267.69 32.144 -184.11 -17.1574 576.612 -152.251 -273.912 22.7899 -138.016 PRESSAVG: 235800 -69.67 -8.38329 2.27123 -8.38324 66.1093 -51.6772 2.27115 -51.6772 -10.0881 GPRESSAVG: 235800 -69.8431 -7.79946 1.3797 -9.82847 65.3789 -52.2408 0.255178 -52.5257 -9.37768 TIMING: 235800 CPU: 741.888, 0.00318903/step Wall: 741.888, 0.00318903/step, 4.22033 hours remaining, 232.707031 MB of memory in use. ENERGY: 235800 3967.6834 20554.6783 14374.0125 243.2083 -203833.9904 2481.4283 0.0000 0.0000 52084.1627 -110128.8168 299.3284 -162212.9795 -109778.9719 298.7682 31.4549 56.9688 756993.6497 -4.5496 -4.6140 PRESSURE: 236000 390.339 7.86843 -311.05 7.86896 -157.858 189.708 -311.05 189.707 -417.317 GPRESSURE: 236000 414.752 -43.0522 -145.986 -85.0998 -123.678 169.54 -180.134 38.8823 -394.933 PRESSAVG: 236000 -7.62968 -36.6488 -32.0403 -36.6488 -30.7155 12.0914 -32.0403 12.0914 -46.6724 GPRESSAVG: 236000 -7.44273 -38.552 -32.1772 -37.9546 -30.5069 11.2741 -31.4125 12.3218 -46.9828 TIMING: 236000 CPU: 742.519, 0.00315296/step Wall: 742.519, 0.00315296/step, 4.17242 hours remaining, 232.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 236000 4038.6632 20434.9681 14445.9193 246.7746 -203870.8765 2640.2865 0.0000 0.0000 51967.5265 -110096.7383 298.6581 -162064.2648 -109735.5578 298.8529 -61.6123 -34.6198 759560.6737 -28.3392 -28.3108 PRESSURE: 236200 112.079 133.226 -153.341 133.227 -63.6613 -249.108 -153.341 -249.108 13.4489 GPRESSURE: 236200 139.13 198.985 -310.648 235.346 -93.1923 -231.235 -2.19665 -165.339 86.4103 PRESSAVG: 236200 17.1454 -6.94743 -23.741 -6.94744 -30.0612 -0.650685 -23.741 -0.650661 13.0936 GPRESSAVG: 236200 15.859 -6.58996 -24.0395 -5.47512 -30.5861 0.726335 -22.4306 -0.643564 14.5802 TIMING: 236200 CPU: 743.152, 0.00316691/step Wall: 743.152, 0.00316691/step, 4.1907 hours remaining, 232.707031 MB of memory in use. ENERGY: 236200 4042.8584 20560.0530 14475.0846 233.8953 -203898.6763 2413.5404 0.0000 0.0000 51957.6419 -110215.6027 298.6013 -162173.2446 -109859.3267 298.3620 20.6221 44.1159 759266.4930 0.0593 -0.0490 LDB: ============= START OF LOAD BALANCING ============== 755.551 LDB: ============== END OF LOAD BALANCING =============== 755.551 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 755.552 LDB: ============= START OF LOAD BALANCING ============== 755.87 LDB: Largest compute 7048 load 0.032900 is 16.8% of average load 0.195646 LDB: Average compute 0.004397 is 2.2% of average load 0.195646 LDB: TIME 755.874 LOAD: AVG 0.195646 MAX 0.213881 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.5 MB LDB: TIME 755.874 LOAD: AVG 0.195646 MAX 0.213881 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.5 MB LDB: TIME 755.874 LOAD: AVG 0.195646 MAX 0.213881 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.5 MB LDB: ============== END OF LOAD BALANCING =============== 755.877 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 755.881 PRESSURE: 236400 -276.644 95.085 51.6745 95.0854 -461.41 125.521 51.6748 125.521 -244.145 GPRESSURE: 236400 -94.9801 206.005 10.7014 137.739 -508.611 86.6358 58.2931 186.444 -306.589 PRESSAVG: 236400 19.2521 21.3153 -11.5261 21.3153 -0.695492 27.3999 -11.5261 27.3999 -13.5938 GPRESSAVG: 236400 20.5694 21.2758 -10.1152 20.4911 -0.642368 26.2012 -13.9788 30.7269 -15.1153 TIMING: 236400 CPU: 743.799, 0.00323346/step Wall: 743.799, 0.00323346/step, 4.27859 hours remaining, 230.750000 MB of memory in use. ENERGY: 236400 3980.7243 20501.1480 14445.1801 263.4597 -203561.8889 2460.6414 0.0000 0.0000 51871.1328 -110039.6026 298.1041 -161910.7354 -109677.2925 298.4650 -327.3999 -303.3933 761016.8215 1.6543 1.6039 PRESSURE: 236600 -347.594 -32.7343 -53.4331 -32.735 293.536 -107.492 -53.4325 -107.493 51.0102 GPRESSURE: 236600 -230.2 -13.0698 -57.056 79.6655 264.392 -59.9503 10.5206 -179.909 54.0938 PRESSAVG: 236600 -10.3752 21.4628 8.47859 21.4628 3.90204 -9.37777 8.47857 -9.3778 4.31489 GPRESSAVG: 236600 -9.64783 22.5444 7.20516 23.288 3.33191 -7.15719 10.3401 -11.9777 4.91839 TIMING: 236600 CPU: 744.43, 0.00315424/step Wall: 744.43, 0.00315424/step, 4.17359 hours remaining, 230.750000 MB of memory in use. ENERGY: 236600 3962.6980 20513.0884 14464.5989 270.0538 -203919.6745 2800.9323 0.0000 0.0000 51856.6983 -110051.6047 298.0212 -161908.3031 -109696.5140 298.3454 -1.0159 29.4286 759177.0955 -0.7194 -0.4658 PRESSURE: 236800 -100.277 -1.68776 -208.503 -1.68826 -250.715 90.5963 -208.503 90.5963 168.333 GPRESSURE: 236800 -92.0309 -101.077 -144.273 31.5215 -186.085 154.502 -315.377 -11.695 200.22 PRESSAVG: 236800 -26.5543 -19.4589 3.74391 -19.459 93.311 1.706 3.74391 1.70608 -5.65903 GPRESSAVG: 236800 -26.6359 -20.2978 3.52768 -20.0946 93.8771 0.725077 2.80663 1.07625 -6.22975 TIMING: 236800 CPU: 745.058, 0.00314314/step Wall: 745.058, 0.00314314/step, 4.15873 hours remaining, 230.750000 MB of memory in use. ENERGY: 236800 3939.7317 20416.8410 14413.8008 246.6459 -203809.1705 2734.2632 0.0000 0.0000 51986.3428 -110071.5452 298.7662 -162057.8880 -109708.6654 298.5180 -60.8863 -25.9651 760303.1487 20.3659 20.3371 PRESSURE: 237000 -37.7332 104.701 155.082 104.701 -58.141 54.6423 155.082 54.6414 165.373 GPRESSURE: 237000 15.3421 69.1084 195.138 32.8067 39.8822 26.9911 48.8777 119.42 110.8 PRESSAVG: 237000 8.26124 17.0308 -36.8534 17.0309 13.2277 15.5073 -36.8535 15.5073 6.50144 GPRESSAVG: 237000 7.70801 16.1105 -34.5031 18.4048 13.7679 14.1824 -36.3515 14.7821 6.54594 TIMING: 237000 CPU: 745.687, 0.0031427/step Wall: 745.687, 0.0031427/step, 4.15797 hours remaining, 230.750000 MB of memory in use. ENERGY: 237000 3936.5750 20543.5976 14489.2114 259.6812 -203688.3707 2520.7184 0.0000 0.0000 51898.0358 -110040.5514 298.2587 -161938.5872 -109679.2062 298.6187 23.1662 55.3415 761675.4310 9.3301 9.3406 PRESSURE: 237200 307.464 3.02976 69.8594 3.0304 276.487 59.8248 69.859 59.8242 -214.692 GPRESSURE: 237200 334.678 2.67755 38.5496 176.582 267.256 24.6947 11.7524 -43.6945 -152.229 PRESSAVG: 237200 -7.49768 40.3137 -19.4944 40.3137 -10.4462 -21.9884 -19.4943 -21.9884 -14.337 GPRESSAVG: 237200 -6.72443 41.6952 -21.4126 41.0375 -11.1087 -19.6669 -19.0447 -21.3312 -13.849 TIMING: 237200 CPU: 746.318, 0.00315428/step Wall: 746.318, 0.00315427/step, 4.1731 hours remaining, 230.750000 MB of memory in use. ENERGY: 237200 4020.5086 20491.9727 14445.2745 250.0500 -203761.1387 2719.4418 0.0000 0.0000 51932.9026 -109900.9886 298.4591 -161833.8912 -109537.3411 298.6980 123.0862 149.9019 759883.9660 -10.7603 -10.5607 PRESSURE: 237400 -111.331 -73.6503 42.3925 -73.6495 -286.412 -198.263 42.3927 -198.262 -219.971 GPRESSURE: 237400 22.2776 -144.556 -2.8186 1.71686 -377.6 -185.083 -70.7572 -229.645 -179.63 PRESSAVG: 237400 -1.12808 38.7752 -16.3341 38.7752 -30.0499 -4.26844 -16.3341 -4.26842 10.7494 GPRESSAVG: 237400 -2.8594 37.7915 -15.7762 37.27 -29.0069 -5.41184 -16.2946 -5.81661 11.3673 TIMING: 237400 CPU: 746.95, 0.00316294/step Wall: 746.95, 0.00316294/step, 4.1844 hours remaining, 230.750000 MB of memory in use. ENERGY: 237400 3944.0057 20502.3517 14442.4013 250.4474 -203554.6221 2439.2517 0.0000 0.0000 52041.3132 -109934.8511 299.0821 -161976.1643 -109571.0752 298.4413 -205.9050 -178.3173 763043.0080 -6.8095 -6.8330 PRESSURE: 237600 -54.4965 59.2732 -227.996 59.2727 -580.249 76.6026 -227.996 76.6037 199.186 GPRESSURE: 237600 -105.461 6.64571 -239.627 98.4916 -415.299 -21.5196 -35.5977 142.108 164.444 PRESSAVG: 237600 -6.69795 -5.79196 -29.7175 -5.79193 15.2948 -1.49203 -29.7174 -1.49202 -6.2485 GPRESSAVG: 237600 -5.49443 -4.58571 -30.5977 -6.58622 15.5156 -2.40864 -27.6875 0.872278 -7.21089 TIMING: 237600 CPU: 747.584, 0.00316786/step Wall: 747.584, 0.00316786/step, 4.19072 hours remaining, 230.750000 MB of memory in use. ENERGY: 237600 4005.5732 20557.4320 14479.2393 239.7506 -203417.1844 2360.6892 0.0000 0.0000 51787.2973 -109987.2029 297.6223 -161774.5002 -109633.1346 298.6736 -145.1865 -118.7721 760426.8069 0.7828 0.9368 PRESSURE: 237800 160.023 -71.2748 -47.3525 -71.2743 59.0487 -143.669 -47.3529 -143.67 108.879 GPRESSURE: 237800 147.978 30.3478 -149.046 -51.5582 114.94 -144.891 30.0837 -86.5162 172.483 PRESSAVG: 237800 33.4632 2.75746 22.4297 2.75752 -17.6686 2.27938 22.4297 2.27942 -1.06881 GPRESSAVG: 237800 34.0929 1.99622 23.2193 2.76791 -19.1864 3.2581 21.8526 3.1041 -0.0249806 TIMING: 237800 CPU: 748.212, 0.0031391/step Wall: 748.212, 0.0031391/step, 4.15251 hours remaining, 230.750000 MB of memory in use. ENERGY: 237800 3928.9830 20550.9597 14463.3426 233.1658 -204007.2599 2774.6805 0.0000 0.0000 51904.7181 -110151.4103 298.2971 -162056.1283 -109783.2777 298.2155 109.3170 145.1337 759256.6583 4.9086 4.9605 PRESSURE: 238000 -300.795 -197.226 -116.811 -197.227 273.651 150.451 -116.812 150.452 -185.541 GPRESSURE: 238000 -264.811 -151.416 -86.48 -196.271 292.58 26.8853 -81.0135 58.8687 -135.516 PRESSAVG: 238000 30.3255 -34.2678 29.2451 -34.2678 -0.294757 24.171 29.2451 24.171 4.61388 GPRESSAVG: 238000 30.8232 -33.8247 29.4434 -33.8868 0.774504 23.6454 26.7229 21.582 3.29789 TIMING: 238000 CPU: 748.841, 0.00314642/step Wall: 748.841, 0.00314642/step, 4.16202 hours remaining, 230.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 238000 4044.3960 20389.0458 14434.9440 246.0700 -203685.1066 2472.9358 0.0000 0.0000 51803.3448 -110294.3704 297.7145 -162097.7152 -109944.9085 298.3636 -70.8950 -35.9154 759080.7860 11.5482 11.6319 PRESSURE: 238200 -317.06 -70.9382 -89.057 -70.9389 -71.5785 143.023 -89.0564 143.022 -35.8702 GPRESSURE: 238200 -370.338 -112.633 -16.9596 -29.4462 63.3259 152.466 -169.296 118.41 -43.744 PRESSAVG: 238200 -3.80484 -28.2484 -14.9431 -28.2484 -2.54538 -28.3386 -14.9431 -28.3387 -15.1368 GPRESSAVG: 238200 -4.16547 -28.5791 -12.5978 -28.5729 -2.36824 -29.9726 -14.9817 -25.9526 -14.7855 TIMING: 238200 CPU: 749.472, 0.00315669/step Wall: 749.472, 0.00315669/step, 4.17542 hours remaining, 230.750000 MB of memory in use. ENERGY: 238200 3933.4611 20386.2738 14470.8723 254.3470 -203789.0071 2429.2129 0.0000 0.0000 51873.9621 -110440.8778 298.1204 -162314.8399 -110072.5759 297.9805 -141.5030 -116.9186 760988.6562 -7.1623 -7.1064 PRESSURE: 238400 -186.48 -112.211 169.85 -112.211 197.218 -34.2822 169.85 -34.2813 -250.463 GPRESSURE: 238400 -183.911 -111.803 171.885 -121.394 196.41 -42.6826 146.803 130.735 -168.488 PRESSAVG: 238400 -45.2544 -40.7036 -28.42 -40.7036 70.7933 50.7445 -28.4201 50.7444 -18.5979 GPRESSAVG: 238400 -44.7957 -41.4453 -30.9518 -39.169 69.8702 52.4077 -26.4864 49.9878 -18.6476 TIMING: 238400 CPU: 750.105, 0.00316072/step Wall: 750.105, 0.00316072/step, 4.18058 hours remaining, 230.750000 MB of memory in use. ENERGY: 238400 4015.2237 20641.0543 14422.0518 259.1635 -203691.6503 2341.2563 0.0000 0.0000 51743.3258 -110269.5749 297.3696 -162012.9008 -109913.1477 298.1646 -79.9086 -51.9963 760102.5656 2.3137 2.1423 PRESSURE: 238600 -131.339 -271.416 37.17 -271.417 -355.84 90.4338 37.17 90.4342 -169.117 GPRESSURE: 238600 -123.305 -192.224 64.9644 -188.727 -293.462 20.1781 25.8661 146.093 -156.786 PRESSAVG: 238600 -31.0637 -5.75841 -22.7099 -5.7584 54.6237 -0.945863 -22.7099 -0.945854 15.7106 GPRESSAVG: 238600 -31.4629 -5.93939 -20.7403 -6.19217 55.1658 -1.21102 -23.6458 -1.79896 15.6781 TIMING: 238600 CPU: 750.738, 0.00316783/step Wall: 750.738, 0.00316782/step, 4.1898 hours remaining, 230.988281 MB of memory in use. ENERGY: 238600 3950.0761 20414.6485 14434.7175 243.8785 -203668.9184 2663.9037 0.0000 0.0000 52123.6466 -109838.0475 299.5553 -161961.6941 -109472.0923 298.4161 -218.7656 -191.1841 762117.1601 13.0902 13.1270 PRESSURE: 238800 -111.471 144.425 -153.452 144.425 -143.431 38.9179 -153.452 38.9178 -364.18 GPRESSURE: 238800 -4.7519 177.836 -189.324 254.878 -139.889 107.671 -90.7961 -66.3595 -387.205 PRESSAVG: 238800 14.0164 -25.5471 -9.84347 -25.547 -40.3497 41.2607 -9.84344 41.2607 20.6135 GPRESSAVG: 238800 14.3772 -23.4241 -11.344 -27.1371 -39.7748 40.2897 -11.974 43.7241 19.8429 TIMING: 238800 CPU: 751.369, 0.00315519/step Wall: 751.369, 0.00315519/step, 4.17292 hours remaining, 230.988281 MB of memory in use. ENERGY: 238800 3988.7397 20453.0940 14471.9712 239.4477 -203712.1976 2555.2331 0.0000 0.0000 51994.6753 -110009.0366 298.8141 -162003.7119 -109644.7662 298.4846 -206.3604 -177.2820 761106.1855 -1.9066 -1.8516 PRESSURE: 239000 240.852 -73.6632 -74.9467 -73.6641 234.45 -126.668 -74.9473 -126.667 118.89 GPRESSURE: 239000 275.942 -96.2041 -194.513 -17.8263 224.921 -43.208 -31.402 -163.482 164.15 PRESSAVG: 239000 22.5106 -22.7899 -8.90782 -22.7899 -1.36912 37.5137 -8.90788 37.5137 2.0102 GPRESSAVG: 239000 21.8507 -24.2834 -8.37608 -20.6588 -0.937355 36.4844 -7.01686 36.1452 2.19114 TIMING: 239000 CPU: 751.996, 0.00313295/step Wall: 751.996, 0.00313295/step, 4.14332 hours remaining, 230.988281 MB of memory in use. ENERGY: 239000 3948.9255 20454.1555 14500.3914 242.7987 -203806.7929 2793.1306 0.0000 0.0000 52030.9540 -109836.4371 299.0226 -161867.3912 -109472.7093 298.6734 198.0637 221.6710 760845.0937 7.7172 7.7015 PRESSURE: 239200 -35.8337 -14.2001 -45.1181 -14.1998 233.61 -110.572 -45.117 -110.572 54.365 GPRESSURE: 239200 -36.8495 20.9404 -68.9283 -9.93238 266.557 -23.9635 -5.45467 -66.3967 109.868 PRESSAVG: 239200 10.724 -11.8664 20.4478 -11.8664 -24.3862 6.73572 20.4478 6.73568 -29.4747 GPRESSAVG: 239200 10.0332 -11.0797 20.1746 -13.3466 -23.7724 8.84727 21.4235 4.20037 -29.2653 TIMING: 239200 CPU: 752.627, 0.00315801/step Wall: 752.627, 0.00315801/step, 4.17629 hours remaining, 230.988281 MB of memory in use. ENERGY: 239200 3952.4558 20609.3875 14438.6699 249.4297 -204367.4567 3006.2456 0.0000 0.0000 52077.0110 -110034.2573 299.2873 -162111.2683 -109679.6055 298.7386 84.0471 113.1915 760538.1812 -14.3790 -14.3348 PRESSURE: 239400 76.4318 -205.736 65.438 -205.737 -5.20117 11.8892 65.4381 11.8896 -142.021 GPRESSURE: 239400 74.1857 -182.105 10.9412 -246.544 27.7861 4.44607 96.0938 -72.2446 -76.7283 PRESSAVG: 239400 33.3036 30.0996 -26.9637 30.0996 -6.73064 27.1524 -26.9638 27.1524 6.81638 GPRESSAVG: 239400 34.5604 31.8435 -26.7438 30.448 -8.18633 26.3796 -28.4411 27.7214 7.80313 TIMING: 239400 CPU: 753.257, 0.00314693/step Wall: 753.257, 0.00314694/step, 4.16147 hours remaining, 230.988281 MB of memory in use. ENERGY: 239400 4031.3870 20443.2038 14428.2144 253.6156 -203861.0647 2629.2473 0.0000 0.0000 52008.6814 -110066.7151 298.8946 -162075.3965 -109699.4644 298.3130 -23.5969 8.4145 760190.6118 11.1298 11.3924 PRESSURE: 239600 -365.656 -197.097 -88.6452 -197.096 -402.238 -68.0616 -88.6449 -68.0615 -371.072 GPRESSURE: 239600 -260.784 -152.753 -39.0193 -136.575 -368.035 -79.3734 -106.303 -24.4154 -417.31 PRESSAVG: 239600 12.5951 -9.10739 2.71562 -9.10737 -8.75441 -37.0386 2.71562 -37.0387 -17.6554 GPRESSAVG: 239600 13.4562 -11.6457 3.51485 -9.32585 -8.70456 -36.9651 1.62201 -37.4969 -17.9191 TIMING: 239600 CPU: 753.883, 0.00312926/step Wall: 753.883, 0.00312926/step, 4.13793 hours remaining, 230.988281 MB of memory in use. ENERGY: 239600 3963.1701 20502.2986 14479.1332 241.5219 -203598.9933 2540.4093 0.0000 0.0000 51784.4277 -110088.0324 297.6058 -161872.4601 -109723.6512 298.1529 -379.6554 -348.7098 763114.1904 -4.6049 -4.3892 PRESSURE: 239800 -61.4375 -10.053 22.4736 -10.0527 481.772 -291.836 22.4739 -291.837 178.384 GPRESSURE: 239800 -41.0366 -24.2941 3.33937 -31.3955 508.958 -247.805 63.6623 -247.772 220.044 PRESSAVG: 239800 -19.7165 -8.58248 57.375 -8.58246 -32.7739 53.4174 57.375 53.4173 -7.14112 GPRESSAVG: 239800 -19.8685 -8.37125 57.9032 -9.39488 -32.5847 54.8997 59.5009 54.8222 -7.86707 TIMING: 239800 CPU: 754.509, 0.00313409/step Wall: 754.509, 0.00313409/step, 4.14413 hours remaining, 230.988281 MB of memory in use. ENERGY: 239800 3905.3371 20375.4142 14477.3548 253.2031 -203945.3435 2779.1270 0.0000 0.0000 52092.7838 -110062.1236 299.3779 -162154.9074 -109689.3508 298.3873 199.5728 229.3218 760642.7483 -19.8772 -20.1067 PRESSURE: 240000 215.499 17.55 214.898 17.5496 -146.543 131.977 214.898 131.975 332.938 GPRESSURE: 240000 139.834 73.308 232.357 -26.6617 -14.458 94.4976 203.381 2.3436 350.65 PRESSAVG: 240000 -14.8368 -30.2483 20.7254 -30.2483 -5.50653 12.9516 20.7254 12.9515 5.42573 GPRESSAVG: 240000 -14.6956 -32.1714 20.6884 -27.4142 -5.61544 10.3213 19.5398 13.1783 5.36279 TIMING: 240000 CPU: 755.136, 0.0031313/step Wall: 755.136, 0.0031313/step, 4.14027 hours remaining, 230.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 240000 3954.7362 20333.0337 14461.0500 242.2443 -203723.2296 2690.9724 0.0000 0.0000 52171.5614 -109869.6316 299.8307 -162041.1930 -109501.0005 298.8328 133.9649 158.6756 760648.9686 -4.9725 -4.9827 PRESSURE: 240200 -150.739 142.674 98.0707 142.675 -109.065 180.946 98.0713 180.947 -335.672 GPRESSURE: 240200 -92.8618 72.617 132.278 148.872 -91.1008 201.121 6.26312 205.137 -312.388 PRESSAVG: 240200 -19.2304 14.6032 -5.33405 14.6033 27.4919 3.05275 -5.33406 3.05282 16.2102 GPRESSAVG: 240200 -19.6367 14.7233 -7.6507 13.1728 28.014 5.51679 -4.7906 3.45037 16.1358 TIMING: 240200 CPU: 755.766, 0.0031494/step Wall: 755.766, 0.0031494/step, 4.16404 hours remaining, 230.988281 MB of memory in use. ENERGY: 240200 3978.3558 20508.7346 14436.3966 240.6453 -203769.1854 2935.6325 0.0000 0.0000 51840.3835 -109829.0371 297.9274 -161669.4207 -109478.6776 298.9506 -198.4923 -165.4503 760778.5768 8.1572 8.1711 LDB: ============= START OF LOAD BALANCING ============== 768.165 LDB: ============== END OF LOAD BALANCING =============== 768.165 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 768.166 LDB: ============= START OF LOAD BALANCING ============== 768.482 LDB: Largest compute 7034 load 0.033113 is 16.9% of average load 0.195636 LDB: Average compute 0.004387 is 2.2% of average load 0.195636 LDB: TIME 768.485 LOAD: AVG 0.195636 MAX 0.216757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.102 MB LDB: TIME 768.486 LOAD: AVG 0.195636 MAX 0.216757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.215 MB LDB: TIME 768.486 LOAD: AVG 0.195636 MAX 0.216757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.215 MB LDB: ============== END OF LOAD BALANCING =============== 768.488 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 768.493 PRESSURE: 240400 242.875 -136.849 -183.395 -136.849 267.62 21.745 -183.396 21.7457 148.218 GPRESSURE: 240400 226.613 -107.844 -92.5211 -83.633 325.702 36.8999 -133.83 -3.26214 182.811 PRESSAVG: 240400 3.95161 22.7677 -33.5084 22.7677 -6.9089 81.3413 -33.5084 81.3412 -15.8281 GPRESSAVG: 240400 3.54283 24.6831 -31.8431 23.6676 -7.1253 79.8274 -32.602 80.6936 -16.0061 TIMING: 240400 CPU: 756.41, 0.00322159/step Wall: 756.41, 0.00322159/step, 4.2593 hours remaining, 232.011719 MB of memory in use. ENERGY: 240400 3974.7518 20409.9720 14498.3843 241.5203 -203679.1215 2722.4969 0.0000 0.0000 51911.4010 -109920.5952 298.3355 -161831.9962 -109559.6192 298.8343 219.5712 245.0420 760261.6051 -6.2618 -6.5295 PRESSURE: 240600 -129.262 -23.0645 77.7152 -23.0661 -49.6642 530.436 77.715 530.437 135.995 GPRESSURE: 240600 -111.853 82.6139 146.846 6.4703 -9.02331 493.608 21.2127 408.067 184.876 PRESSAVG: 240600 54.0842 -14.6762 5.74324 -14.6762 -90.4464 74.3781 5.74322 74.3781 -0.0396852 GPRESSAVG: 240600 53.8826 -16.0129 6.70807 -16.9682 -90.1393 76.1471 4.77569 74.9304 0.0891475 TIMING: 240600 CPU: 757.035, 0.00312757/step Wall: 757.035, 0.00312757/step, 4.13482 hours remaining, 232.011719 MB of memory in use. ENERGY: 240600 3997.9775 20424.8468 14462.7971 235.2424 -203549.1832 2595.0238 0.0000 0.0000 52007.3264 -109825.9691 298.8868 -161833.2955 -109464.0732 299.1398 -14.3102 21.3331 761925.9114 -12.1340 -12.0558 PRESSURE: 240800 -243.748 25.9368 -176.88 25.9371 -67.3064 -90.7853 -176.881 -90.785 -65.0675 GPRESSURE: 240800 -67.0355 103.177 -123.936 -21.7257 -163.81 12.0708 -100.576 -3.62025 -65.3569 PRESSAVG: 240800 20.322 -50.4785 23.575 -50.4786 -41.7826 48.4674 23.575 48.4674 -6.9107 GPRESSAVG: 240800 20.7427 -50.8463 23.3659 -48.245 -42.3538 48.3854 23.8483 48.9713 -6.52253 TIMING: 240800 CPU: 757.663, 0.00313963/step Wall: 757.663, 0.00313963/step, 4.15059 hours remaining, 232.214844 MB of memory in use. ENERGY: 240800 4056.3747 20449.0517 14472.2838 233.9440 -203982.2307 2592.6692 0.0000 0.0000 52243.8397 -109934.0676 300.2461 -162177.9073 -109565.1153 298.5224 -125.3740 -98.7340 763135.0551 -9.4571 -9.3779 PRESSURE: 241000 85.2462 103.021 164.234 103.021 -205.074 60.8475 164.235 60.846 176.806 GPRESSURE: 241000 85.1139 109.009 109.737 15.3727 -122.096 18.4847 109.541 56.7374 179.059 PRESSAVG: 241000 -25.8225 33.1384 -22.4469 33.1384 0.603837 14.0576 -22.4469 14.0577 -35.3374 GPRESSAVG: 241000 -26.8468 31.9349 -24.3338 29.9841 0.364205 13.6888 -21.9463 14.475 -34.0756 TIMING: 241000 CPU: 758.289, 0.00312897/step Wall: 758.289, 0.00312897/step, 4.13632 hours remaining, 232.218750 MB of memory in use. ENERGY: 241000 4027.7604 20662.7565 14434.3791 234.4209 -203515.8665 2461.5291 0.0000 0.0000 51701.3178 -109993.7027 297.1282 -161695.0205 -109634.2575 298.9665 18.9928 47.3588 761793.9969 -20.1854 -20.1861 PRESSURE: 241200 22.0581 104.207 -243.222 104.207 18.9863 -1.63914 -243.222 -1.63907 347.43 GPRESSURE: 241200 23.2383 180.67 -203.515 62.0449 25.4323 -95.2464 -283.356 14.3184 416.665 PRESSAVG: 241200 -50.68 55.4324 -8.80781 55.4324 37.2814 41.4847 -8.80776 41.4847 0.460145 GPRESSAVG: 241200 -51.1566 57.2139 -8.14587 58.0292 38.4631 40.9951 -10.8567 39.4054 -0.0220028 TIMING: 241200 CPU: 758.914, 0.00312528/step Wall: 758.914, 0.00312528/step, 4.13127 hours remaining, 232.207031 MB of memory in use. ENERGY: 241200 4019.3986 20591.5476 14475.5553 249.7521 -203945.2458 2808.1586 0.0000 0.0000 51909.1418 -109891.6918 298.3226 -161800.8336 -109526.5381 298.6972 129.4913 155.1120 761590.5058 -4.3128 -4.2385 PRESSURE: 241400 -289.449 -77.7574 50.0529 -77.757 -136.326 153.856 50.0529 153.856 133.269 GPRESSURE: 241400 -201.638 -223.272 67.1161 -45.2956 -117.696 172.399 -22.8072 123.192 120.28 PRESSAVG: 241400 -2.15622 -29.7565 65.736 -29.7565 28.9378 -13.4719 65.736 -13.4719 -16.0221 GPRESSAVG: 241400 -1.67319 -31.8741 66.2537 -30.2629 29.7607 -12.9112 66.7747 -13.1019 -16.8752 TIMING: 241400 CPU: 759.541, 0.00313325/step Wall: 759.541, 0.00313325/step, 4.14163 hours remaining, 232.218750 MB of memory in use. ENERGY: 241400 3952.0695 20849.7844 14429.1870 237.0223 -203703.0125 2534.5735 0.0000 0.0000 52111.9816 -109588.3942 299.4883 -161700.3758 -109227.2506 299.5107 -97.5021 -66.3511 760538.5678 3.5865 3.7374 PRESSURE: 241600 -28.984 45.9835 -166.133 45.9834 -111.123 31.2509 -166.133 31.2513 93.9563 GPRESSURE: 241600 -11.2145 -10.8186 -174.101 -21.3686 -89.5473 95.5974 -36.3249 49.5523 133.379 PRESSAVG: 241600 -18.4814 -44.5956 19.623 -44.5955 -11.963 -23.0389 19.6231 -23.0389 7.79042 GPRESSAVG: 241600 -17.295 -40.5544 19.424 -45.941 -13.9649 -21.8982 20.5337 -23.386 8.41273 TIMING: 241600 CPU: 760.168, 0.00313422/step Wall: 760.168, 0.00313422/step, 4.14274 hours remaining, 232.218750 MB of memory in use. ENERGY: 241600 3962.5569 20547.7544 14368.8025 248.3895 -203635.7590 2437.5136 0.0000 0.0000 52505.8458 -109564.8963 301.7518 -162070.7421 -109198.8620 299.6275 -15.3834 10.8724 761790.7959 -7.5513 -7.6157 PRESSURE: 241800 195.35 21.2185 84.2222 21.2188 193.19 132.673 84.2217 132.673 366.638 GPRESSURE: 241800 249.835 -52.0882 139.369 104.389 250.212 180.472 0.0864258 67.6673 356.129 PRESSAVG: 241800 10.3668 21.9118 -6.39764 21.9118 -23.6535 30.6034 -6.39768 30.6033 -7.05848 GPRESSAVG: 241800 10.2424 19.062 -5.21501 21.7451 -22.3664 29.1153 -6.58342 31.2802 -8.40033 TIMING: 241800 CPU: 760.797, 0.00314686/step Wall: 760.797, 0.00314686/step, 4.15927 hours remaining, 232.218750 MB of memory in use. ENERGY: 241800 3986.2425 20483.3622 14432.0812 248.9881 -203203.1835 2441.4859 0.0000 0.0000 51975.4080 -109635.6156 298.7034 -161611.0237 -109261.0457 299.4589 251.7257 285.3921 761794.4747 -6.7817 -6.8414 PRESSURE: 242000 18.3612 -141.392 80.4641 -141.391 213.051 -80.6448 80.4648 -80.6451 -176.297 GPRESSURE: 242000 84.0498 -66.4268 5.98253 -69.445 212.399 -224.413 88.5844 -110.953 -155.636 PRESSAVG: 242000 41.8713 32.1065 3.78104 32.1065 2.33278 -10.4868 3.78106 -10.4867 5.94422 GPRESSAVG: 242000 41.765 31.7553 3.69207 33.682 0.569204 -10.7608 3.05593 -9.67085 7.46336 TIMING: 242000 CPU: 761.422, 0.00312643/step Wall: 761.422, 0.00312643/step, 4.13209 hours remaining, 232.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 242000 3999.4685 20525.3318 14470.4985 233.4461 -203908.9965 2703.9305 0.0000 0.0000 52283.6774 -109692.6437 300.4750 -161976.3211 -109329.7460 299.8915 18.3716 46.9374 760617.3805 16.7161 16.5992 PRESSURE: 242200 158.641 -31.3514 199.594 -31.3512 -277.549 35.8628 199.594 35.8618 -2.62905 GPRESSURE: 242200 138.068 -73.399 267.949 -87.9469 -162.917 142.274 72.6889 137.894 -3.16909 PRESSAVG: 242200 -51.2134 0.60585 8.34866 0.605882 -0.963259 -6.80363 8.34862 -6.80368 -11.3048 GPRESSAVG: 242200 -50.8919 1.31615 8.2859 0.586731 0.732075 -5.92032 6.91613 -6.93522 -13.0973 TIMING: 242200 CPU: 762.051, 0.00314323/step Wall: 762.051, 0.00314323/step, 4.15413 hours remaining, 232.218750 MB of memory in use. ENERGY: 242200 3977.0659 20640.0563 14431.0200 238.7620 -203692.4883 2734.3871 0.0000 0.0000 52303.0844 -109368.1127 300.5865 -161671.1970 -108999.9230 299.5788 -40.5124 -9.3392 760766.4837 -21.1605 -21.0857 PRESSURE: 242400 -127.041 -63.2971 37.6256 -63.2971 -197.517 -164.909 37.626 -164.909 -318.936 GPRESSURE: 242400 -106.48 -25.2685 73.9845 -65.2174 -180.964 -218.141 34.8139 -99.5364 -281.83 PRESSAVG: 242400 6.57754 -44.72 6.16666 -44.72 -6.13063 0.203606 6.16663 0.203539 -2.5076 GPRESSAVG: 242400 6.25082 -43.9464 6.22091 -45.7645 -7.36011 -0.38403 8.68487 1.30521 -1.80611 TIMING: 242400 CPU: 762.678, 0.0031344/step Wall: 762.678, 0.0031344/step, 4.14229 hours remaining, 232.218750 MB of memory in use. ENERGY: 242400 4042.5527 20605.5629 14387.9023 245.8747 -203013.4673 2186.6078 0.0000 0.0000 52047.6023 -109497.3645 299.1183 -161544.9668 -109137.8733 299.3572 -214.4981 -189.7581 759854.9170 -0.6869 -0.9718 PRESSURE: 242600 -222.235 40.1267 -101.145 40.1254 263.772 16.0195 -101.146 16.0194 -470.757 GPRESSURE: 242600 -58.4089 103.177 -163.93 59.2634 167.823 -87.9253 -127.014 -31.9005 -448.51 PRESSAVG: 242600 15.4826 4.18909 13.7051 4.18909 5.15606 -3.58417 13.7052 -3.58422 28.9088 GPRESSAVG: 242600 15.9751 3.79538 12.9439 5.78024 4.86576 -4.43968 12.6172 -3.99613 28.42 TIMING: 242600 CPU: 763.305, 0.00313628/step Wall: 763.305, 0.00313628/step, 4.14459 hours remaining, 232.218750 MB of memory in use. ENERGY: 242600 3943.8853 20452.2419 14426.8115 260.1243 -202856.6140 2213.1263 0.0000 0.0000 52134.3447 -109426.0799 299.6168 -161560.4246 -109062.6304 299.9026 -143.0731 -113.0320 758449.9598 16.5158 16.4203 PRESSURE: 242800 -173.993 32.6217 -70.4155 32.6217 -323.566 49.7497 -70.4154 49.7496 -224.792 GPRESSURE: 242800 -165.276 31.5948 13.2454 70.9684 -190.058 42.3417 -15.2677 -32.8462 -273.381 PRESSAVG: 242800 6.43487 13.3574 73.4068 13.3573 -4.03857 -3.55464 73.4068 -3.55464 6.1214 GPRESSAVG: 242800 5.93688 11.6547 74.1764 11.9043 -3.95418 -3.1118 73.3317 -3.07416 6.03689 TIMING: 242800 CPU: 763.937, 0.00315839/step Wall: 763.937, 0.00315839/step, 4.17364 hours remaining, 232.218750 MB of memory in use. ENERGY: 242800 4069.3569 20394.6200 14431.7131 237.5160 -202869.0146 2182.4991 0.0000 0.0000 52108.9613 -109444.3481 299.4709 -161553.3094 -109072.6576 299.5002 -240.7836 -209.5718 759763.1428 2.8392 2.6732 PRESSURE: 243000 80.8208 42.2409 -5.92262 42.2409 -317.548 -122.028 -5.92232 -122.029 -571.238 GPRESSURE: 243000 -87.4162 -52.2921 -60.4061 -5.13088 -234.296 -109.078 73.0974 -227.882 -413.394 PRESSAVG: 243000 -20.6602 -12.7743 27.9371 -12.7743 27.2844 19.9007 27.9372 19.9007 18.4698 GPRESSAVG: 243000 -21.8677 -10.712 27.2302 -13.6577 27.2306 21.3768 29.0486 18.5585 20.1247 TIMING: 243000 CPU: 764.566, 0.00314668/step Wall: 764.566, 0.00314668/step, 4.15799 hours remaining, 232.218750 MB of memory in use. ENERGY: 243000 3960.5231 20513.1180 14425.7062 250.3758 -202752.3927 1991.8638 0.0000 0.0000 52084.0220 -109526.7838 299.3276 -161610.8058 -109173.8444 299.5456 -269.3219 -245.0357 761609.1415 8.3647 8.4959 PRESSURE: 243200 -203.388 -35.6317 62.9355 -35.6315 207.747 3.64578 62.9358 3.64643 -54.472 GPRESSURE: 243200 -123.289 -2.47635 30.6917 -105.7 193.06 10.7171 -18.5491 14.8003 -26.2994 PRESSAVG: 243200 6.76796 -11.1473 78.3898 -11.1472 -20.94 -2.2549 78.3899 -2.25497 -16.9154 GPRESSAVG: 243200 7.30725 -11.5164 79.0151 -11.7922 -19.6383 -2.61962 77.9985 -2.04448 -17.4175 TIMING: 243200 CPU: 765.192, 0.00313004/step Wall: 765.192, 0.00313004/step, 4.13582 hours remaining, 232.218750 MB of memory in use. ENERGY: 243200 3984.6095 20463.0139 14402.9132 248.7785 -203139.7780 2640.6223 0.0000 0.0000 51788.5599 -109611.2806 297.6296 -161399.8405 -109254.0567 299.1192 -16.7043 14.4908 762645.2556 -10.3625 -9.9162 PRESSURE: 243400 46.2029 -247.017 31.7765 -247.017 56.3132 15.5956 31.7772 15.5947 306.693 GPRESSURE: 243400 87.7545 -145.932 -22.2009 -120.042 102.888 26.2586 145.055 -63.4399 311.863 PRESSAVG: 243400 -2.62285 -5.40317 44.5175 -5.4031 1.99813 -25.844 44.5175 -25.844 -3.69202 GPRESSAVG: 243400 -1.66363 -7.33285 43.5343 -2.71978 0.821608 -27.053 45.2701 -25.6325 -4.02742 TIMING: 243400 CPU: 765.826, 0.0031681/step Wall: 765.826, 0.0031681/step, 4.18594 hours remaining, 232.218750 MB of memory in use. ENERGY: 243400 3986.3623 20534.3864 14496.2874 255.0399 -203545.5824 2665.2613 0.0000 0.0000 52189.7421 -109418.5031 299.9352 -161608.2452 -109052.4234 299.2382 136.4031 167.5016 762026.4830 -1.4389 -1.6231 PRESSURE: 243600 -292.681 134.515 -112.356 134.515 -195.928 -0.6512 -112.356 -0.651394 -8.35477 GPRESSURE: 243600 -334.021 92.9556 -118.179 113.128 -131.403 52.3585 -63.2261 55.8882 59.3985 PRESSAVG: 243600 26.4622 9.18999 -5.17234 9.19007 -32.6371 24.0661 -5.17232 24.066 -9.10342 GPRESSAVG: 243600 26.2853 10.5332 -2.55751 5.86523 -32.7905 26.2952 -6.62023 24.4619 -8.8423 TIMING: 243600 CPU: 766.457, 0.0031538/step Wall: 766.457, 0.0031538/step, 4.16687 hours remaining, 232.218750 MB of memory in use. ENERGY: 243600 4004.6858 20436.1143 14462.0722 237.8559 -202806.0825 2169.5779 0.0000 0.0000 52076.8272 -109418.9493 299.2862 -161495.7765 -109052.0710 299.5110 -165.6548 -135.3419 761325.4250 -5.0928 -5.1158 PRESSURE: 243800 200.67 -110.022 -31.1407 -110.022 -3.95582 54.9593 -31.1407 54.9597 52.232 GPRESSURE: 243800 223.623 -78.8898 57.8127 6.2297 48.1986 31.5089 -0.843982 96.8796 29.3824 PRESSAVG: 243800 19.8234 17.3897 40.9201 17.3898 0.258037 -8.02977 40.9201 -8.02976 -13.0734 GPRESSAVG: 243800 19.2473 15.547 39.2511 20.1776 -0.0933618 -9.67651 40.6465 -7.18308 -12.6565 TIMING: 243800 CPU: 767.086, 0.00314601/step Wall: 767.086, 0.00314601/step, 4.15641 hours remaining, 232.218750 MB of memory in use. ENERGY: 243800 3946.2486 20466.1804 14485.3702 252.5093 -202989.7277 2284.4642 0.0000 0.0000 52245.2254 -109309.7297 300.2540 -161554.9551 -108943.4708 300.0102 82.9820 100.4014 761120.5839 2.3360 2.1658 PRESSURE: 244000 110.514 -4.00156 158.189 -4.00131 -140.659 -177.309 158.19 -177.309 245.555 GPRESSURE: 244000 169.694 -157.224 133.47 -34.0671 -105.742 -152.793 166.518 -251.48 224.121 PRESSAVG: 244000 -2.52893 26.7271 77.8062 26.7271 10.4226 -1.77163 77.8061 -1.77156 5.06538 GPRESSAVG: 244000 -1.67792 26.3111 77.1076 27.1552 9.13702 -1.81702 79.7245 -3.81528 5.49957 TIMING: 244000 CPU: 767.718, 0.00316046/step Wall: 767.718, 0.00316046/step, 4.17532 hours remaining, 232.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 244000 3991.3893 20515.1371 14442.0508 255.3470 -203129.3026 2321.3937 0.0000 0.0000 52176.1664 -109427.8182 299.8571 -161603.9846 -109053.7801 299.9692 71.8034 96.0243 760812.6073 4.3197 4.3196 PRESSURE: 244200 -479.35 64.673 -35.5746 64.6736 -279.93 -195.164 -35.5754 -195.165 -161.044 GPRESSURE: 244200 -460.987 22.9159 -24.2357 -61.2193 -152.204 -303.519 -165.919 -24.8683 -211.836 PRESSAVG: 244200 -5.40054 -18.7346 16.7618 -18.7346 13.1844 -35.5554 16.7618 -35.5554 8.82834 GPRESSAVG: 244200 -5.78839 -16.8787 18.108 -20.4573 13.8351 -35.8948 16.2385 -32.5951 9.06898 TIMING: 244200 CPU: 768.349, 0.00315361/step Wall: 768.349, 0.00315361/step, 4.16609 hours remaining, 232.218750 MB of memory in use. ENERGY: 244200 4064.4239 20581.2270 14427.9891 238.9811 -203270.0475 2290.9704 0.0000 0.0000 52291.7756 -109374.6805 300.5216 -161666.4561 -109007.7680 300.1148 -306.7749 -275.0090 761284.7964 5.5374 5.7052 LDB: ============= START OF LOAD BALANCING ============== 780.746 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 780.746 LDB: =============== DONE WITH MIGRATION ================ 780.748 LDB: ============= START OF LOAD BALANCING ============== 781.064 LDB: Largest compute 7026 load 0.035156 is 18.0% of average load 0.195642 LDB: Average compute 0.004387 is 2.2% of average load 0.195642 LDB: TIME 781.068 LOAD: AVG 0.195642 MAX 0.217683 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.785 MB LDB: TIME 781.068 LOAD: AVG 0.195642 MAX 0.217683 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: TIME 781.069 LOAD: AVG 0.195642 MAX 0.217683 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 781.071 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 781.076 PRESSURE: 244400 -203.416 -1.75572 -152.093 -1.75559 159.541 182.455 -152.092 182.453 -304.949 GPRESSURE: 244400 -200.474 -9.52159 -151.472 -15.5723 174.752 119.883 -108.432 196.432 -233.723 PRESSAVG: 244400 36.2091 8.87784 -5.24923 8.87786 20.6121 -18.4094 -5.24922 -18.4093 -30.7424 GPRESSAVG: 244400 36.1312 10.0191 -5.69728 9.20863 21.0718 -17.2266 -7.35303 -19.8704 -31.232 TIMING: 244400 CPU: 768.994, 0.00322526/step Wall: 768.994, 0.00322526/step, 4.26057 hours remaining, 231.816406 MB of memory in use. ENERGY: 244400 3976.1025 20537.9124 14419.0076 236.4513 -202849.5695 2131.1194 0.0000 0.0000 51997.0021 -109551.9742 298.8275 -161548.9763 -109191.8402 299.7889 -116.2749 -86.4818 761500.4370 8.6929 8.6570 PRESSURE: 244600 -319.093 118.759 -59.9887 118.758 -13.8735 -95.403 -59.9886 -95.4028 -71.5465 GPRESSURE: 244600 -384.266 -10.3918 -154.672 157.664 94.6163 -38.938 -55.596 -4.11595 -19.6501 PRESSAVG: 244600 -20.9915 8.64128 -15.6188 8.64127 7.48717 30.4662 -15.619 30.4662 11.8181 GPRESSAVG: 244600 -21.0898 6.78675 -15.6238 8.79841 8.28752 30.6867 -13.8412 29.2916 11.2815 TIMING: 244600 CPU: 769.623, 0.00314738/step Wall: 769.623, 0.00314738/step, 4.15752 hours remaining, 231.941406 MB of memory in use. ENERGY: 244600 3980.9745 20394.6328 14374.1474 246.1699 -203467.2261 2520.5251 0.0000 0.0000 52416.1817 -109534.5947 301.2365 -161950.7764 -109160.4374 299.8919 -134.8378 -103.0999 761287.1833 -0.5621 -0.5069 PRESSURE: 244800 -48.4613 -136.856 -70.9858 -136.856 47.6872 -57.5245 -70.9863 -57.5237 -128.797 GPRESSURE: 244800 78.0304 -117.106 -202.375 -70.908 36.2398 -121.62 -43.0906 -36.4866 -153.403 PRESSAVG: 244800 -6.8663 -38.615 27.2489 -38.615 45.1161 -21.1196 27.2488 -21.1195 13.3379 GPRESSAVG: 244800 -5.74906 -36.79 28.0123 -38.8221 44.39 -21.5737 28.7981 -21.3254 13.1781 TIMING: 244800 CPU: 770.252, 0.00314221/step Wall: 770.252, 0.00314221/step, 4.15051 hours remaining, 232.144531 MB of memory in use. ENERGY: 244800 4024.5479 20724.9040 14439.6804 233.0123 -203384.2225 2370.0026 0.0000 0.0000 52240.0978 -109351.9774 300.2246 -161592.0753 -109007.7722 300.4060 -43.1905 -13.0442 759242.4396 17.1959 17.2730 PRESSURE: 245000 -337.627 -85.7558 19.8307 -85.7554 61.1686 -231.27 19.83 -231.27 -369.293 GPRESSURE: 245000 -354.472 19.1421 -39.4421 -83.7037 96.7825 -222.971 4.02295 -138.065 -297.504 PRESSAVG: 245000 5.47361 -36.3381 21.7956 -36.338 -18.6823 -26.8865 21.7956 -26.8865 -3.911 GPRESSAVG: 245000 4.82231 -37.4178 20.0307 -37.2462 -18.5745 -26.3103 20.275 -25.0357 -3.54908 TIMING: 245000 CPU: 770.882, 0.00315211/step Wall: 770.882, 0.00315211/step, 4.16341 hours remaining, 232.144531 MB of memory in use. ENERGY: 245000 4072.0169 20668.5659 14491.8528 252.5573 -202930.7851 2096.3619 0.0000 0.0000 52016.1557 -109333.2747 298.9376 -161349.4304 -108975.6468 300.0765 -215.2507 -185.0643 759894.6512 -5.7066 -5.7671 PRESSURE: 245200 203.454 79.5345 2.95446 79.5343 361.614 -134.17 2.95327 -134.169 232.263 GPRESSURE: 245200 200.768 17.3803 -46.2118 217.178 381.177 -234.555 -67.0478 36.8189 276.828 PRESSAVG: 245200 -20.7257 -31.4896 39.1646 -31.4896 -17.6115 -18.3619 39.1646 -18.362 -4.72615 GPRESSAVG: 245200 -19.3437 -33.2876 39.3156 -30.2533 -18.6821 -17.5799 38.9593 -20.7055 -5.35159 TIMING: 245200 CPU: 771.509, 0.00313703/step Wall: 771.509, 0.00313703/step, 4.14332 hours remaining, 232.144531 MB of memory in use. ENERGY: 245200 4015.2608 20463.7502 14343.0361 242.8398 -203134.9763 2611.9592 0.0000 0.0000 52241.7047 -109216.4255 300.2338 -161458.1302 -108849.6702 300.3263 265.7768 286.2577 760291.4072 -14.3545 -14.4592 PRESSURE: 245400 300.723 153.191 10.9349 153.191 -44.366 -62.5324 10.935 -62.5332 76.105 GPRESSURE: 245400 313.104 98.2685 41.6661 -43.5245 47.0296 -53.1002 85.2472 -13.5273 40.6905 PRESSAVG: 245400 26.2465 -41.1612 -6.90031 -41.1612 -6.10507 19.244 -6.90033 19.244 3.86934 GPRESSAVG: 245400 24.8415 -40.7372 -8.17366 -41.4771 -4.40202 17.2636 -3.62087 20.9694 3.66355 TIMING: 245400 CPU: 772.138, 0.00314473/step Wall: 772.138, 0.00314473/step, 4.15331 hours remaining, 232.144531 MB of memory in use. ENERGY: 245400 3959.6359 20653.0807 14358.1703 257.4006 -203313.2282 2436.4439 0.0000 0.0000 52192.4230 -109456.0739 299.9506 -161648.4969 -109093.3102 300.2064 110.8207 133.6079 759829.8930 8.0036 8.0343 PRESSURE: 245600 -86.5594 103.565 99.2662 103.566 -39.6572 -16.272 99.2664 -16.2725 -9.66551 GPRESSURE: 245600 -48.4138 52.7565 106.685 25.5806 27.6473 -31.395 325.997 16.3033 -48.2202 PRESSAVG: 245600 -10.7535 -87.4008 -27.1114 -87.4009 -38.1398 -21.9155 -27.1113 -21.9155 -15.7747 GPRESSAVG: 245600 -11.6902 -87.4448 -25.4239 -87.005 -37.8011 -20.7768 -27.6057 -22.9032 -15.0622 TIMING: 245600 CPU: 772.771, 0.00316172/step Wall: 772.771, 0.00316172/step, 4.17558 hours remaining, 232.144531 MB of memory in use. ENERGY: 245600 3988.9121 20707.6768 14559.1368 242.5598 -203247.0238 2356.7711 0.0000 0.0000 52107.6210 -109284.3461 299.4632 -161391.9671 -108924.4371 299.6772 -45.2940 -22.9956 759252.1793 -21.5560 -21.5178 PRESSURE: 245800 331.141 -61.1257 101.804 -61.1258 136.548 -16.2599 101.803 -16.2595 313.981 GPRESSURE: 245800 330.962 40.9921 122.074 -52.3055 124.149 -33.2554 21.7297 -32.1212 419.429 PRESSAVG: 245800 25.6233 12.9936 23.5382 12.9937 15.089 9.83939 23.5382 9.83946 12.6285 GPRESSAVG: 245800 28.5752 13.812 23.4752 10.8674 12.6324 10.6896 22.2273 11.3746 12.5833 TIMING: 245800 CPU: 773.402, 0.00315438/step Wall: 773.402, 0.00315438/step, 4.16572 hours remaining, 232.144531 MB of memory in use. ENERGY: 245800 3984.1170 20637.4233 14479.4322 255.7488 -203122.2491 2372.1275 0.0000 0.0000 51974.4801 -109418.9202 298.6981 -161393.4003 -109061.1745 300.2232 260.5571 291.5134 759589.7509 17.7803 17.9303 PRESSURE: 246000 -140.872 -109.407 -184.861 -109.407 -209.532 -36.3172 -184.861 -36.3163 184.59 GPRESSURE: 246000 -198.159 -181.822 -111.702 -118.686 -90.2442 -45.2009 -3.2816 -15.8769 221.932 PRESSAVG: 246000 19.763 28.082 29.9019 28.082 -20.3435 1.84599 29.9018 1.84603 27.1222 GPRESSAVG: 246000 18.175 27.7207 30.2625 29.1368 -19.1289 0.454491 30.7972 1.18689 27.1014 TIMING: 246000 CPU: 774.033, 0.00315721/step Wall: 774.033, 0.00315721/step, 4.16927 hours remaining, 232.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 246000 3976.4624 20606.0006 14475.8241 238.3511 -202985.6236 2218.3741 0.0000 0.0000 52087.6952 -109382.9161 299.3487 -161470.6113 -109016.1227 300.0264 -55.2713 -22.1569 759825.2050 8.8473 8.7158 PRESSURE: 246200 -31.2611 -115.855 -231.883 -115.855 236.92 -93.9579 -231.883 -93.9586 -178.363 GPRESSURE: 246200 -87.7978 -155.064 -219.565 28.598 265.558 -48.8535 -184.461 -62.4082 -62.548 PRESSAVG: 246200 -9.60249 -24.7654 -2.1932 -24.7654 -13.0674 -9.73564 -2.19327 -9.73564 -4.86318 GPRESSAVG: 246200 -11.1614 -23.1547 -1.78331 -24.879 -12.819 -10.0219 -2.53705 -10.0644 -3.87747 TIMING: 246200 CPU: 774.664, 0.00315688/step Wall: 774.664, 0.00315688/step, 4.16867 hours remaining, 232.144531 MB of memory in use. ENERGY: 246200 4061.5133 20558.1016 14526.4416 245.5468 -203422.0254 2509.7841 0.0000 0.0000 52044.6557 -109475.9823 299.1014 -161520.6380 -109118.6379 299.6958 9.0987 38.4040 761596.2294 -9.1777 -9.2860 PRESSURE: 246400 179.293 -351.336 269.626 -351.337 330.287 108.222 269.627 108.221 523.847 GPRESSURE: 246400 199.109 -214.613 225.633 -354.281 327.985 72.8524 148.575 -78.9955 580.185 PRESSAVG: 246400 -45.9673 -10.1097 4.67338 -10.1097 -1.73816 -0.515302 4.67343 -0.515274 -1.72481 GPRESSAVG: 246400 -45.0281 -10.5636 3.75433 -10.4044 -2.15171 -0.641111 5.26665 0.198221 -1.76823 TIMING: 246400 CPU: 775.296, 0.00315705/step Wall: 775.296, 0.00315705/step, 4.16872 hours remaining, 232.144531 MB of memory in use. ENERGY: 246400 3987.6088 20621.7735 14471.9257 252.8576 -203132.1430 2329.8177 0.0000 0.0000 52004.9637 -109463.1960 298.8732 -161468.1597 -109101.3120 299.2088 344.4754 369.0929 760098.5728 -16.4768 -16.3160 PRESSURE: 246600 -189.811 12.8647 11.8802 12.8643 96.5564 171.789 11.8801 171.789 113.638 GPRESSURE: 246600 -54.1052 -33.4109 27.1729 116.015 120.925 128.32 -34.9927 36.0352 47.6788 PRESSAVG: 246600 35.8442 -14.3186 8.28408 -14.3186 17.2197 10.2082 8.28413 10.2082 -4.441 GPRESSAVG: 246600 36.8266 -15.8169 9.37347 -13.6119 16.6892 10.3978 6.17393 11.2059 -4.73263 TIMING: 246600 CPU: 775.928, 0.00316193/step Wall: 775.928, 0.00316193/step, 4.17498 hours remaining, 232.144531 MB of memory in use. ENERGY: 246600 3959.4131 20570.4799 14416.5211 241.6354 -203167.7359 2425.0568 0.0000 0.0000 52125.7829 -109428.8467 299.5676 -161554.6296 -109059.8453 299.6708 6.7945 38.1662 760943.8232 16.2077 16.2610 PRESSURE: 246800 48.5466 -94.0668 -157.039 -94.0668 0.569645 -150.022 -157.039 -150.023 147.781 GPRESSURE: 246800 -28.2859 -81.2053 -133.654 -105.654 69.215 -107.913 -253.789 -169.847 234.096 PRESSAVG: 246800 -75.5243 6.8615 7.13216 6.86148 71.9082 7.90342 7.13218 7.90355 -20.6513 GPRESSAVG: 246800 -76.9693 7.34288 6.57656 7.0679 72.1208 8.53617 8.85557 7.81957 -19.263 TIMING: 246800 CPU: 776.56, 0.00315785/step Wall: 776.56, 0.00315785/step, 4.16942 hours remaining, 232.144531 MB of memory in use. ENERGY: 246800 3937.2006 20382.9401 14382.5762 261.2021 -203496.4734 2686.7121 0.0000 0.0000 52129.3225 -109716.5198 299.5879 -161845.8423 -109349.4243 299.3336 65.6323 91.6749 760713.6307 -8.0891 -8.0372 PRESSURE: 247000 -122.457 48.5092 149.631 48.5096 -307.75 141.863 149.63 141.864 -120.916 GPRESSURE: 247000 41.4217 0.944794 131.562 129.234 -367.795 141.4 135.407 10.1873 -131.277 PRESSAVG: 247000 -33.4522 -22.5692 16.8808 -22.5692 23.3336 7.48881 16.8807 7.48879 -10.2078 GPRESSAVG: 247000 -32.2713 -23.4013 15.8432 -23.8935 23.2802 8.5519 16.488 7.4307 -11.1769 TIMING: 247000 CPU: 777.192, 0.00316146/step Wall: 777.192, 0.00316146/step, 4.17401 hours remaining, 232.144531 MB of memory in use. ENERGY: 247000 3959.7681 20500.1733 14426.2062 260.0351 -203071.5854 2322.7565 0.0000 0.0000 52050.6490 -109551.9973 299.1358 -161602.6463 -109185.8742 299.3753 -183.7075 -152.5503 761378.7870 -6.7755 -6.7227 PRESSURE: 247200 -389.663 -138.692 34.2289 -138.692 67.1307 -76.7478 34.2284 -76.7478 134.321 GPRESSURE: 247200 -282.624 -7.67901 86.1701 -79.0741 113.892 -93.4245 186.162 -138.215 69.4241 PRESSAVG: 247200 -35.7647 -55.9717 12.3556 -55.9717 34.5006 3.26771 12.3556 3.26775 11.9222 GPRESSAVG: 247200 -34.7227 -54.2951 12.4927 -53.7997 34.5029 2.5469 12.9084 2.51038 10.8169 TIMING: 247200 CPU: 777.823, 0.00315319/step Wall: 777.823, 0.00315319/step, 4.16291 hours remaining, 232.144531 MB of memory in use. ENERGY: 247200 3949.7728 20443.6480 14429.1333 258.1897 -202582.1081 2121.4815 0.0000 0.0000 52083.8434 -109296.0395 299.3266 -161379.8829 -108923.7198 299.4085 -62.7371 -33.1027 760902.6348 3.5527 3.5324 PRESSURE: 247400 -9.55537 73.9063 -17.0473 73.9057 -86.5999 124.712 -17.0479 124.712 363.095 GPRESSURE: 247400 98.6261 178.021 28.7467 69.4589 -90.3094 20.8718 -14.1921 77.0839 333.921 PRESSAVG: 247400 -51.3844 -2.43383 9.40266 -2.43387 14.5904 -50.0529 9.40267 -50.0528 3.7975 GPRESSAVG: 247400 -52.9922 -0.658863 8.28645 -4.91655 14.3132 -51.292 10.7183 -51.4445 5.39419 TIMING: 247400 CPU: 778.453, 0.00315323/step Wall: 778.453, 0.00315323/step, 4.16279 hours remaining, 232.144531 MB of memory in use. ENERGY: 247400 3920.2641 20389.8805 14422.8551 281.1935 -203161.2619 2292.2015 0.0000 0.0000 52275.3645 -109579.5028 300.4272 -161854.8673 -109210.7796 299.7445 88.9798 114.0791 760644.8346 -10.9988 -11.0949 PRESSURE: 247600 -384.858 87.9305 54.8687 87.9303 160.082 128.929 54.8688 128.93 106.018 GPRESSURE: 247600 -320.476 99.0041 136.426 25.5282 198.182 57.1456 20.5636 63.3392 92.0488 PRESSAVG: 247600 -22.6461 -56.0825 -15.668 -56.0826 5.05742 -1.85125 -15.6681 -1.85121 7.5129 GPRESSAVG: 247600 -22.4309 -58.6146 -13.2793 -53.9936 4.87183 -1.8387 -17.2128 -0.144113 7.29858 TIMING: 247600 CPU: 779.082, 0.00314353/step Wall: 779.082, 0.00314353/step, 4.1498 hours remaining, 232.144531 MB of memory in use. ENERGY: 247600 4019.9236 20525.7708 14405.9812 229.6835 -203342.0495 2424.9274 0.0000 0.0000 51989.8394 -109745.9236 298.7863 -161735.7630 -109396.1850 299.2113 -39.5859 -10.0818 758396.4213 -3.3586 -3.4202 PRESSURE: 247800 89.6749 -9.26219 9.19596 -9.2634 -173.971 -253.346 9.19633 -253.346 -111.253 GPRESSURE: 247800 100.673 -47.9363 -17.0007 26.981 -103.662 -274.574 50.4965 -141.404 -107.977 PRESSAVG: 247800 -72.8427 -4.97885 -4.06326 -4.97883 68.5224 12.2697 -4.06318 12.2697 14.6152 GPRESSAVG: 247800 -72.0008 -3.72546 -6.31902 -6.26952 69.5968 13.4822 -1.31412 12.0899 12.7534 TIMING: 247800 CPU: 779.707, 0.00312553/step Wall: 779.707, 0.00312553/step, 4.12588 hours remaining, 232.144531 MB of memory in use. ENERGY: 247800 3980.1335 20502.8382 14401.6920 242.1548 -203477.8657 2539.6786 0.0000 0.0000 52182.2633 -109629.1053 299.8922 -161811.3686 -109266.5561 299.3056 -65.1831 -36.9885 760931.9570 3.4316 3.4498 PRESSURE: 248000 -208.972 -164.623 36.2993 -164.623 -70.5771 31.7378 36.3 31.7377 109.274 GPRESSURE: 248000 -134.319 -128.042 24.1358 -122.79 -56.4971 17.0552 -27.4174 38.0334 120.312 PRESSAVG: 248000 -59.4547 -42.5864 -29.8389 -42.5865 49.3404 -21.728 -29.8388 -21.728 27.443 GPRESSAVG: 248000 -59.5781 -42.0137 -29.3408 -41.9613 48.8429 -21.5627 -32.7936 -20.4048 28.6419 TIMING: 248000 CPU: 780.337, 0.00315067/step Wall: 780.337, 0.00315067/step, 4.15888 hours remaining, 232.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 248000 3962.7477 20674.8177 14449.2675 248.7235 -202752.9598 1819.4851 0.0000 0.0000 52020.7620 -109577.1564 298.9640 -161597.9183 -109219.4029 299.3955 -56.7586 -23.5013 760257.1618 5.7762 5.9689 PRESSURE: 248200 5.9761 -105.364 143.398 -105.365 -62.7092 -255.538 143.398 -255.538 47.6963 GPRESSURE: 248200 158.608 -210.137 151.701 -92.8089 -57.0713 -229.763 197.145 -201.568 -17.2028 PRESSAVG: 248200 -7.67201 -14.657 -1.44699 -14.657 24.9559 14.9585 -1.44703 14.9585 -25.526 GPRESSAVG: 248200 -6.52917 -13.8853 -0.392817 -16.7154 24.8918 13.0185 -2.28272 14.5325 -26.6804 TIMING: 248200 CPU: 780.969, 0.00315834/step Wall: 780.969, 0.00315834/step, 4.16883 hours remaining, 232.144531 MB of memory in use. ENERGY: 248200 3965.7811 20462.2231 14494.3983 239.3110 -203516.0008 2557.8285 0.0000 0.0000 52327.8768 -109468.5820 300.7290 -161796.4588 -109105.8764 299.5329 -3.0123 28.1111 759018.0915 -2.7474 -2.7726 LDB: ============= START OF LOAD BALANCING ============== 793.368 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 793.368 LDB: =============== DONE WITH MIGRATION ================ 793.37 LDB: ============= START OF LOAD BALANCING ============== 793.685 LDB: Largest compute 7025 load 0.031778 is 16.2% of average load 0.195626 LDB: Average compute 0.004386 is 2.2% of average load 0.195626 LDB: TIME 793.688 LOAD: AVG 0.195626 MAX 0.21418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.453 MB LDB: TIME 793.688 LOAD: AVG 0.195626 MAX 0.21418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.453 MB LDB: TIME 793.689 LOAD: AVG 0.195626 MAX 0.21418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.453 MB LDB: ============== END OF LOAD BALANCING =============== 793.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 793.695 PRESSURE: 248400 66.3571 33.4234 66.493 33.4227 -113.99 140.982 66.4934 140.983 129.976 GPRESSURE: 248400 44.6423 48.9619 3.5321 99.2258 -68.9191 132.55 69.3269 160.285 198.43 PRESSAVG: 248400 -23.3033 -67.7886 1.26454 -67.7886 25.565 8.30012 1.26456 8.30008 2.47609 GPRESSAVG: 248400 -24.7543 -67.6204 0.579474 -66.404 26.1432 10.4715 2.59363 5.69781 2.82776 TIMING: 248400 CPU: 781.613, 0.00321898/step Wall: 781.613, 0.00321898/step, 4.24869 hours remaining, 231.066406 MB of memory in use. ENERGY: 248400 3951.6734 20645.0947 14466.2454 230.6019 -203221.2472 2327.0802 0.0000 0.0000 52064.0416 -109536.5100 299.2128 -161600.5516 -109178.5888 300.1309 27.4476 58.0509 758505.2976 1.5793 1.4056 PRESSURE: 248600 -39.0249 -164.445 -64.8418 -164.445 -311.56 -205.175 -64.8426 -205.175 -206.277 GPRESSURE: 248600 -50.178 -141.429 -70.0576 -191.407 -209.501 -245.968 -97.1204 -125.217 -208.263 PRESSAVG: 248600 -44.3788 -35.7632 38.7236 -35.7633 -0.566822 0.056343 38.7236 0.0563211 -34.2229 GPRESSAVG: 248600 -44.3463 -36.4507 38.0909 -33.5808 -1.64962 -0.0497302 38.848 3.67502 -33.6645 TIMING: 248600 CPU: 782.243, 0.00315181/step Wall: 782.243, 0.00315181/step, 4.15987 hours remaining, 231.269531 MB of memory in use. ENERGY: 248600 3960.2632 20611.5716 14517.3342 250.1003 -203099.4108 2084.3965 0.0000 0.0000 52101.0304 -109574.7145 299.4253 -161675.7449 -109211.0845 299.6261 -185.6209 -155.9806 761792.1905 -26.3895 -26.5535 PRESSURE: 248800 -74.0459 -70.6458 263.906 -70.645 -52.0827 28.4868 263.906 28.4875 -154.914 GPRESSURE: 248800 -43.323 -78.3897 175.265 -94.8314 -35.2166 -23.9354 340.975 29.1772 -130.92 PRESSAVG: 248800 -17.836 -87.4677 55.8533 -87.4678 -61.1418 63.5316 55.8533 63.5317 -26.5886 GPRESSAVG: 248800 -17.8777 -86.2952 55.8652 -89.2529 -61.0061 63.7578 58.2594 63.1535 -26.4184 TIMING: 248800 CPU: 782.873, 0.00315098/step Wall: 782.873, 0.00315098/step, 4.15859 hours remaining, 231.269531 MB of memory in use. ENERGY: 248800 3867.0027 20614.6024 14503.4528 244.7518 -203347.0435 2379.2464 0.0000 0.0000 52064.5381 -109673.4493 299.2156 -161737.9874 -109303.1852 299.3810 -93.6809 -69.8198 760848.2629 -35.1888 -35.1007 PRESSURE: 249000 -295.839 120.725 -311.413 120.727 -260.383 229.683 -311.412 229.683 -85.2631 GPRESSURE: 249000 -278.767 -66.2812 -354.712 90.0325 -206.246 198.926 -160.542 301.331 -57.4209 PRESSAVG: 249000 -17.9349 -31.8368 32.7646 -31.8368 -0.682721 41.3296 32.7645 41.3296 5.00644 GPRESSAVG: 249000 -17.517 -34.1233 34.6279 -31.7799 -0.710315 38.841 28.6738 42.0648 4.8936 TIMING: 249000 CPU: 783.505, 0.00315694/step Wall: 783.505, 0.00315694/step, 4.16628 hours remaining, 231.269531 MB of memory in use. ENERGY: 249000 4008.2194 20519.2073 14400.9240 242.9960 -203270.5389 2395.5734 0.0000 0.0000 51835.7294 -109867.8894 297.9006 -161703.6187 -109512.2227 299.3387 -213.8285 -180.8113 760842.8120 -4.5371 -4.4446 PRESSURE: 249200 -140.01 -120.639 -27.6099 -120.638 173.052 136.57 -27.6101 136.569 -83.2335 GPRESSURE: 249200 -107.546 45.8585 -13.9294 -141.586 199.918 150.33 -162.981 164.645 -62.5758 PRESSAVG: 249200 -14.5762 12.3608 19.9142 12.3608 -24.3939 48.3904 19.9142 48.3904 -7.68498 GPRESSAVG: 249200 -15.2001 13.8045 19.6058 11.8921 -23.4147 49.8208 21.9558 46.933 -7.53733 TIMING: 249200 CPU: 784.135, 0.00315221/step Wall: 784.135, 0.00315221/step, 4.15987 hours remaining, 231.269531 MB of memory in use. ENERGY: 249200 3941.9809 20478.0599 14377.4783 250.8963 -203248.0727 2346.6355 0.0000 0.0000 52038.0906 -109814.9312 299.0636 -161853.0218 -109455.3398 299.3936 -16.7302 9.9321 759550.8487 -15.5517 -15.3840 PRESSURE: 249400 171.82 -92.0517 115.674 -92.0522 44.3971 -51.4357 115.673 -51.4352 344.494 GPRESSURE: 249400 198.032 -24.0309 218.703 -120.745 21.3141 33.1865 73.2425 -119.263 429.239 PRESSAVG: 249400 -23.1913 -20.1771 53.4987 -20.177 27.4971 -18.5817 53.4988 -18.5817 -4.57678 GPRESSAVG: 249400 -23.2728 -18.9172 52.7819 -17.8113 27.094 -17.1431 52.3276 -19.499 -4.72145 TIMING: 249400 CPU: 784.765, 0.00315153/step Wall: 784.765, 0.00315153/step, 4.15879 hours remaining, 231.269531 MB of memory in use. ENERGY: 249400 3911.6737 20617.8720 14349.4551 228.2703 -204020.7372 2864.0559 0.0000 0.0000 52167.0345 -109882.3756 299.8047 -162049.4101 -109522.9492 298.7105 186.9038 216.1951 760054.2424 -0.0904 -0.3001 PRESSURE: 249600 -281.313 -17.0978 -10.6687 -17.0967 -301.47 -35.9995 -10.6688 -35.9992 145.763 GPRESSURE: 249600 -225.746 -9.13906 33.8123 56.4379 -209.486 -79.2132 39.5052 -92.2098 106.112 PRESSAVG: 249600 -15.9247 3.46844 7.66181 3.46837 14.5062 17.5301 7.66179 17.5301 -11.101 GPRESSAVG: 249600 -15.5907 2.08178 7.98296 1.28482 15.2525 17.2744 10.4469 17.7308 -12.113 TIMING: 249600 CPU: 785.395, 0.00314602/step Wall: 785.395, 0.00314602/step, 4.15135 hours remaining, 231.269531 MB of memory in use. ENERGY: 249600 3973.1354 20446.1424 14498.7165 252.8655 -202893.6793 2137.3468 0.0000 0.0000 51900.4431 -109685.0295 298.2726 -161585.4726 -109322.1345 299.0293 -145.6735 -109.7064 762066.8884 -4.1732 -4.1504 PRESSURE: 249800 -23.481 2.25191 1.13784 2.25285 -169.165 64.3968 1.13726 64.3959 -265.067 GPRESSURE: 249800 48.7108 -44.0018 4.79959 52.7235 -136.322 72.1737 -65.1887 6.5905 -270.769 PRESSAVG: 249800 -15.7892 -40.6234 -0.08466 -40.6233 -4.32213 -22.9176 -0.0847367 -22.9176 2.67489 GPRESSAVG: 249800 -14.9128 -41.8885 1.30228 -39.2279 -4.8608 -25.6273 -0.708329 -21.9673 3.29602 TIMING: 249800 CPU: 786.027, 0.00316439/step Wall: 786.027, 0.00316439/step, 4.17541 hours remaining, 231.269531 MB of memory in use. ENERGY: 249800 4062.1960 20695.0549 14486.9910 216.0075 -203232.8538 2172.8510 0.0000 0.0000 52165.1126 -109434.6409 299.7936 -161599.7535 -109075.0393 299.3830 -152.5707 -119.4602 759276.6025 -5.8122 -5.4925 PRESSURE: 250000 307.744 65.7166 341.296 65.7165 341.461 -97.3989 341.296 -97.3998 284.763 GPRESSURE: 250000 336.112 -72.3091 331.143 78.3111 470.007 -90.3222 323.257 15.5694 216.976 PRESSAVG: 250000 28.6182 -10.3705 23.4365 -10.3705 -23.715 -10.9552 23.4365 -10.9552 6.95016 GPRESSAVG: 250000 29.1119 -10.3233 21.761 -12.8533 -23.9218 -11.2039 22.3857 -8.96212 6.87832 TIMING: 250000 CPU: 786.659, 0.0031587/step Wall: 786.659, 0.0031587/step, 4.16773 hours remaining, 231.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 250000 3866.7218 20622.8276 14423.7711 245.2702 -203542.0860 2732.4602 0.0000 0.0000 52259.9231 -109391.1120 300.3385 -161651.0350 -109024.4044 300.2629 311.3228 341.0317 758956.2801 3.9511 4.0228 PRESSURE: 250200 -181.636 154.692 -100.496 154.693 34.0613 176.059 -100.496 176.06 526.585 GPRESSURE: 250200 -119.356 99.6476 -172.676 89.1051 42.1354 85.8389 -155.65 80.1923 543.771 PRESSAVG: 250200 -9.91678 -19.0492 21.0565 -19.0492 20.4829 38.9143 21.0565 38.9144 6.57707 GPRESSAVG: 250200 -9.5017 -17.0778 19.7281 -17.2638 20.0121 40.6124 21.4551 36.0809 6.74511 TIMING: 250200 CPU: 787.292, 0.00316152/step Wall: 787.292, 0.00316152/step, 4.17128 hours remaining, 231.269531 MB of memory in use. ENERGY: 250200 4007.0979 20568.6666 14452.3684 233.4411 -203676.7323 2668.0778 0.0000 0.0000 52063.1919 -109683.8885 299.2079 -161747.0804 -109315.2292 299.6694 126.3366 155.5168 759557.7601 5.7144 5.7519 PRESSURE: 250400 285.867 12.8758 -203.307 12.8761 108.387 -46.9863 -203.306 -46.9857 696.9 GPRESSURE: 250400 253.512 -22.7845 -229.478 24.204 211.776 -118.331 -195.333 -56.0536 718.693 PRESSAVG: 250400 -6.82833 -39.3358 -10.6028 -39.3358 -17.9013 5.88869 -10.6029 5.88864 19.74 GPRESSAVG: 250400 -7.31085 -38.9214 -8.39749 -40.7119 -17.3719 6.43488 -10.4084 4.30744 19.7908 TIMING: 250400 CPU: 787.922, 0.00315471/step Wall: 787.922, 0.00315471/step, 4.16211 hours remaining, 231.269531 MB of memory in use. ENERGY: 250400 3901.6520 20644.3215 14369.3819 263.3398 -203673.0351 2669.8331 0.0000 0.0000 52192.7885 -109631.7182 299.9527 -161824.5066 -109269.5020 299.8850 363.7184 394.6602 759110.7952 -1.6632 -1.6307 PRESSURE: 250600 15.6638 55.2755 -4.32085 55.2751 153.685 61.5173 -4.32032 61.5169 -320.054 GPRESSURE: 250600 8.28319 176.459 -140.481 -112.661 191.899 28.735 126.154 106.096 -269.132 PRESSAVG: 250600 20.2204 -34.252 -20.296 -34.252 3.48773 -38.303 -20.2959 -38.3029 -10.986 GPRESSAVG: 250600 20.7663 -35.5868 -21.2299 -31.8896 3.06002 -36.9554 -19.6054 -35.0083 -10.3377 TIMING: 250600 CPU: 788.553, 0.00315308/step Wall: 788.553, 0.00315308/step, 4.15979 hours remaining, 231.269531 MB of memory in use. ENERGY: 250600 4018.2570 20426.1245 14441.2251 253.0141 -203290.1227 2174.5965 0.0000 0.0000 52157.5871 -109819.3184 299.7504 -161976.9055 -109438.1691 299.5998 -50.2349 -22.9833 760423.7364 4.2407 4.4962 PRESSURE: 250800 202.028 -202.727 169.822 -202.726 207.567 -26.4002 169.822 -26.4012 325.731 GPRESSURE: 250800 272.621 -205.183 147.009 -2.48373 308.119 10.6824 6.94973 24.847 242.288 PRESSAVG: 250800 -11.5755 -14.3867 -65.3433 -14.3867 -7.51736 22.2115 -65.3433 22.2114 -7.15409 GPRESSAVG: 250800 -11.9435 -12.4151 -64.8257 -16.7537 -6.22366 22.158 -66.6831 19.6396 -7.83698 TIMING: 250800 CPU: 789.18, 0.00313307/step Wall: 789.18, 0.00313307/step, 4.13322 hours remaining, 231.269531 MB of memory in use. ENERGY: 250800 3979.2053 20590.9175 14457.9930 232.0856 -203371.9406 2309.3120 0.0000 0.0000 52129.7571 -109672.6701 299.5904 -161802.4272 -109312.4171 299.6353 245.1086 274.3429 759131.5416 -8.7490 -8.6680 PRESSURE: 251000 6.40957 31.85 -170.456 31.8503 404.764 75.8957 -170.455 75.8945 391.636 GPRESSURE: 251000 55.63 -81.3962 -111.269 -31.7093 397.774 6.81254 -249.75 139.015 425.037 PRESSAVG: 251000 -35.0615 -18.8653 -19.1679 -18.8653 67.7517 9.27041 -19.1679 9.27042 -6.71328 GPRESSAVG: 251000 -36.5941 -20.7867 -18.3541 -16.1517 68.2979 7.85458 -19.8482 11.0484 -5.94373 TIMING: 251000 CPU: 789.81, 0.00315128/step Wall: 789.81, 0.00315128/step, 4.15706 hours remaining, 231.269531 MB of memory in use. ENERGY: 251000 3991.9069 20543.8426 14390.1218 229.6013 -203448.1335 2482.6340 0.0000 0.0000 51997.5215 -109812.5054 298.8305 -161810.0269 -109448.6457 299.2162 267.6035 292.8139 759073.1250 8.6590 8.5867 PRESSURE: 251200 -189.591 -74.3487 236.589 -74.3482 -140.841 96.591 236.59 96.5903 262.169 GPRESSURE: 251200 -221.41 -37.457 145.244 -38.8023 -14.6054 18.9442 152.711 152.577 247.52 PRESSAVG: 251200 -23.8161 -29.9972 76.6065 -29.9972 25.1571 20.4948 76.6065 20.4948 -5.5182 GPRESSAVG: 251200 -24.4353 -28.9849 77.5428 -32.2738 24.9922 22.1108 74.0119 17.5364 -5.45427 TIMING: 251200 CPU: 790.436, 0.0031286/step Wall: 790.436, 0.0031286/step, 4.12697 hours remaining, 231.269531 MB of memory in use. ENERGY: 251200 3975.4623 20566.2682 14437.7715 240.7897 -203178.7227 2247.2842 0.0000 0.0000 52004.9967 -109706.1501 298.8734 -161711.1468 -109347.0193 298.8206 -22.7547 3.8350 759033.8638 -1.3924 -1.6324 PRESSURE: 251400 3.41181 -239.479 -208.27 -239.479 140.189 -19.9098 -208.269 -19.909 284.596 GPRESSURE: 251400 2.69309 -203.743 -199.982 -142.814 209.455 -96.9935 -128.078 12.5469 305.047 PRESSAVG: 251400 -12.8341 -9.38179 -27.654 -9.38173 -13.452 2.8453 -27.6541 2.84524 -30.1986 GPRESSAVG: 251400 -11.0852 -7.98288 -28.6906 -10.9091 -14.4473 1.71897 -23.584 5.46161 -30.1725 TIMING: 251400 CPU: 791.065, 0.00314819/step Wall: 791.065, 0.00314819/step, 4.15264 hours remaining, 231.269531 MB of memory in use. ENERGY: 251400 3991.0106 20568.1318 14423.9148 263.0674 -203364.1392 2422.7583 0.0000 0.0000 52126.3681 -109568.8882 299.5710 -161695.2563 -109212.3278 299.3463 142.7322 172.3984 759363.5798 -18.8283 -18.5683 PRESSURE: 251600 -66.188 -122.077 -263.278 -122.077 -47.6934 222.989 -263.278 222.991 79.0278 GPRESSURE: 251600 -13.8775 -120.223 -243.531 -28.0877 -60.3431 292.981 -213.937 130.896 114.246 PRESSAVG: 251600 -37.8088 -74.8908 -45.8509 -74.8909 46.5507 -62.5468 -45.8509 -62.5468 -9.69515 GPRESSAVG: 251600 -39.4598 -77.4899 -45.7276 -70.1397 48.1724 -62.8442 -48.1457 -63.1038 -9.74406 TIMING: 251600 CPU: 791.695, 0.00314923/step Wall: 791.695, 0.00314923/step, 4.15384 hours remaining, 231.269531 MB of memory in use. ENERGY: 251600 3948.8760 20485.2918 14422.0089 260.2714 -203241.0387 2442.7379 0.0000 0.0000 52039.4532 -109642.3994 299.0715 -161681.8526 -109284.0367 299.7488 -11.6179 13.3419 760648.7779 -0.3177 -0.3438 PRESSURE: 251800 -155.398 36.7512 171.002 36.7507 -172.672 -107.36 171.001 -107.359 -51.8601 GPRESSURE: 251800 -116.26 -20.6626 94.7163 147.055 -111.174 -150.905 203.484 -80.6302 -54.5961 PRESSAVG: 251800 27.3615 -13.497 -13.2221 -13.4969 -12.1765 -9.18045 -13.2221 -9.18036 0.315308 GPRESSAVG: 251800 28.39 -12.6599 -12.9766 -15.0575 -12.8892 -8.49379 -12.8016 -8.05244 0.26934 TIMING: 251800 CPU: 792.324, 0.00314574/step Wall: 792.324, 0.00314574/step, 4.14906 hours remaining, 231.269531 MB of memory in use. ENERGY: 251800 4002.4971 20533.4647 14415.0867 259.6037 -203398.8695 2126.4561 0.0000 0.0000 52204.8086 -109856.9526 300.0218 -162061.7612 -109486.0748 299.1567 -126.6435 -94.0100 759440.6299 5.1668 5.2567 PRESSURE: 252000 184.561 -90.2159 -79.8109 -90.2165 96.3632 -22.8899 -79.8101 -22.8878 89.3065 GPRESSURE: 252000 261.06 -89.3395 -26.5585 23.018 104.241 0.278606 -106.91 -42.5658 86.1016 PRESSAVG: 252000 -25.1679 -40.2282 -3.92591 -40.2282 -2.93666 -32.6983 -3.92591 -32.6984 10.4224 GPRESSAVG: 252000 -24.9538 -39.4666 -2.96404 -39.2004 -3.51067 -31.9898 -3.57159 -33.6655 10.4228 TIMING: 252000 CPU: 792.953, 0.00314216/step Wall: 792.953, 0.00314216/step, 4.14416 hours remaining, 231.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 252000 4026.4925 20526.7377 14381.5502 234.9449 -203636.5991 2784.5597 0.0000 0.0000 52004.7294 -109677.5848 298.8719 -161682.3141 -109320.7050 298.8878 123.4103 150.4678 760012.8576 -5.8941 -6.0139 PRESSURE: 252200 -46.8795 -8.22911 -176.662 -8.22897 -32.3043 214.415 -176.661 214.415 161.545 GPRESSURE: 252200 17.0902 4.51761 -75.3518 70.0735 72.4462 197.701 -133.917 301.362 99.7816 PRESSAVG: 252200 51.1499 -16.8829 1.0443 -16.883 -30.3138 26.3616 1.04433 26.3615 1.65274 GPRESSAVG: 252200 51.3773 -15.7055 1.05035 -18.7108 -31.2653 26.4052 -1.87571 25.9408 2.93268 TIMING: 252200 CPU: 793.582, 0.00314609/step Wall: 793.582, 0.00314609/step, 4.14917 hours remaining, 231.269531 MB of memory in use. ENERGY: 252200 4025.9661 20334.8115 14416.7611 240.6121 -203198.9337 2296.2824 0.0000 0.0000 52388.1835 -109496.3169 301.0756 -161884.5004 -109140.5210 299.5514 27.4536 63.1060 760810.4079 7.4963 7.6816 LDB: ============= START OF LOAD BALANCING ============== 805.981 LDB: ============== END OF LOAD BALANCING =============== 805.981 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 805.983 LDB: ============= START OF LOAD BALANCING ============== 806.297 LDB: Largest compute 7026 load 0.034013 is 17.4% of average load 0.195707 LDB: Average compute 0.004369 is 2.2% of average load 0.195707 LDB: TIME 806.301 LOAD: AVG 0.195707 MAX 0.214917 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 230.594 MB LDB: TIME 806.302 LOAD: AVG 0.195707 MAX 0.214917 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.594 MB LDB: TIME 806.302 LOAD: AVG 0.195707 MAX 0.214917 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.594 MB LDB: ============== END OF LOAD BALANCING =============== 806.304 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 806.309 PRESSURE: 252400 -316.251 -64.6418 12.8287 -64.6416 -367.206 -220.287 12.8289 -220.286 56.5891 GPRESSURE: 252400 -156.015 -205.777 66.2333 -104.869 -384.388 -275.899 -62.2028 -126.637 -0.15146 PRESSAVG: 252400 33.4333 -40.4109 23.8626 -40.411 -69.6489 58.3831 23.8625 58.3831 7.02175 GPRESSAVG: 252400 33.2866 -41.6393 23.5839 -40.2904 -68.0537 55.898 26.9069 59.0971 5.3294 TIMING: 252400 CPU: 794.226, 0.00322214/step Wall: 794.226, 0.00322214/step, 4.24929 hours remaining, 233.640625 MB of memory in use. ENERGY: 252400 4086.1231 20335.2407 14474.2091 253.8194 -202746.3724 2151.7056 0.0000 0.0000 52139.7877 -109305.4867 299.6481 -161445.2744 -108946.0389 299.9304 -208.9560 -180.1851 761503.3654 -9.7313 -9.8126 PRESSURE: 252600 -343.265 -9.86013 -172.256 -9.86053 164.444 -129.506 -172.256 -129.507 29.4509 GPRESSURE: 252600 -270.828 -5.61663 -226.121 147.919 172.058 -146.141 -186.653 -291.874 11.6437 PRESSAVG: 252600 26.4683 -40.1487 -4.80074 -40.1487 -55.5347 7.39012 -4.80074 7.39015 -31.092 GPRESSAVG: 252600 26.7599 -40.8234 -6.14661 -40.1785 -55.4405 7.56522 -3.65309 6.74051 -31.5015 TIMING: 252600 CPU: 794.854, 0.00314036/step Wall: 794.854, 0.00314036/step, 4.14126 hours remaining, 233.640625 MB of memory in use. ENERGY: 252600 4060.1981 20560.7965 14435.9900 249.1344 -203028.1388 2608.5484 0.0000 0.0000 51981.4736 -109131.9977 298.7382 -161113.4714 -108776.3161 299.6982 -49.7900 -29.0421 761259.2245 -20.0528 -20.0607 PRESSURE: 252800 197.825 -54.9524 52.4217 -54.9522 -35.6104 -54.8281 52.4216 -54.8267 -268.681 GPRESSURE: 252800 265.856 -193.72 92.123 -82.6738 -68.0775 -2.90118 -8.54242 -99.5119 -223.416 PRESSAVG: 252800 49.3 -33.5138 3.10206 -33.5138 -19.162 26.1226 3.10203 26.1227 2.94404 GPRESSAVG: 252800 48.5375 -32.8745 2.74265 -32.7053 -19.9519 27.413 2.36386 25.3517 4.08743 TIMING: 252800 CPU: 795.484, 0.00314655/step Wall: 795.484, 0.00314655/step, 4.14925 hours remaining, 233.640625 MB of memory in use. ENERGY: 252800 4062.9835 20637.3519 14457.3061 258.5610 -203262.9994 2282.1117 0.0000 0.0000 52286.8921 -109277.7932 300.4935 -161564.6853 -108919.5371 300.1867 -35.4886 -8.5458 760598.0257 11.0273 10.8910 PRESSURE: 253000 -92.4372 88.4939 -90.4519 88.4938 -305.51 -161.725 -90.4524 -161.726 -101.281 GPRESSURE: 253000 -108.247 130.269 -94.8477 56.2262 -184.182 -184.032 -91.8465 -87.6753 -109.115 PRESSAVG: 253000 46.7308 -11.7566 -18.4255 -11.7566 -33.1439 7.65435 -18.4256 7.65438 8.09628 GPRESSAVG: 253000 46.8911 -11.1718 -18.1753 -12.7081 -31.42 8.68523 -16.2195 7.12541 6.53729 TIMING: 253000 CPU: 796.111, 0.00313706/step Wall: 796.111, 0.00313706/step, 4.13656 hours remaining, 233.640625 MB of memory in use. ENERGY: 253000 3987.6734 20552.5388 14400.3707 239.4694 -203172.4147 2473.1855 0.0000 0.0000 51979.7295 -109539.4474 298.7282 -161519.1769 -109186.1314 299.6110 -166.4094 -133.8480 762578.8740 7.2277 7.3361 PRESSURE: 253200 -168.353 -157.887 -133.068 -157.887 133.538 56.1291 -133.068 56.1285 -71.8227 GPRESSURE: 253200 -167.811 -104.21 -167.574 -121.37 175.185 -12.3282 -42.8633 68.9722 -36.3197 PRESSAVG: 253200 -1.50986 -54.4392 32.3893 -54.4393 10.1396 -9.92775 32.3893 -9.92777 -16.6796 GPRESSAVG: 253200 -1.88153 -55.03 35.0305 -52.7196 9.88576 -11.9188 29.9002 -8.5197 -15.8573 TIMING: 253200 CPU: 796.745, 0.0031711/step Wall: 796.745, 0.0031711/step, 4.18127 hours remaining, 233.640625 MB of memory in use. ENERGY: 253200 4004.1905 20695.9594 14476.5438 237.8723 -203620.9519 2558.5992 0.0000 0.0000 52201.3481 -109446.4387 300.0019 -161647.7867 -109083.3218 299.5746 -35.5459 -9.6486 761792.3039 -2.6833 -2.6177 PRESSURE: 253400 -211.658 124.955 -198.565 124.955 148.954 9.31697 -198.564 9.31703 -17.1618 GPRESSURE: 253400 -174.782 126.557 -139.279 141.81 145.912 21.8063 -173.042 10.4313 32.2009 PRESSAVG: 253400 84.0631 -18.1665 -8.64269 -18.1665 -23.8762 -37.4129 -8.64276 -37.4129 -12.2596 GPRESSAVG: 253400 84.1939 -19.1509 -10.1831 -18.6825 -25.3084 -37.0209 -8.3452 -36.3327 -11.261 TIMING: 253400 CPU: 797.375, 0.00314621/step Wall: 797.375, 0.00314621/step, 4.14828 hours remaining, 233.640625 MB of memory in use. ENERGY: 253400 3890.5829 20548.7515 14490.7207 246.5065 -202990.6115 2317.8952 0.0000 0.0000 52177.3193 -109318.8356 299.8638 -161496.1549 -108954.2866 299.6979 -26.6220 1.1104 760737.3366 15.9758 15.8748 PRESSURE: 253600 0.186941 239.267 140.253 239.266 -94.1141 -63.6075 140.253 -63.6065 -103.429 GPRESSURE: 253600 5.20993 178.732 122.954 103.125 -64.9497 7.86149 143.235 -105.888 -72.4372 PRESSAVG: 253600 21.1512 -5.38162 19.5568 -5.38167 5.93427 -40.7284 19.5568 -40.7283 0.692457 GPRESSAVG: 253600 21.0118 -5.09057 19.0897 -5.55407 7.14925 -39.9449 19.7644 -42.4162 -0.016702 TIMING: 253600 CPU: 798.004, 0.00314909/step Wall: 798.004, 0.00314909/step, 4.1519 hours remaining, 233.640625 MB of memory in use. ENERGY: 253600 4004.5875 20576.2979 14439.4669 231.2415 -202855.8705 2120.6227 0.0000 0.0000 52500.0114 -108983.6424 301.7183 -161483.6539 -108617.8304 300.1423 -65.7855 -44.0590 759880.7316 9.2593 9.3814 PRESSURE: 253800 165.945 23.5244 -127.47 23.5246 -282.71 -15.1869 -127.471 -15.1869 -453.54 GPRESSURE: 253800 170.049 93.1609 -131.223 60.7714 -244.625 23.5588 -182.642 13.2407 -421.929 PRESSAVG: 253800 16.3205 -31.6279 6.3994 -31.6279 1.49885 -4.46515 6.39946 -4.46512 23.9572 GPRESSAVG: 253800 17.1053 -30.539 5.94703 -31.1634 1.16704 -4.62166 6.40361 -2.95056 23.8221 TIMING: 253800 CPU: 798.634, 0.00314916/step Wall: 798.634, 0.00314916/step, 4.15181 hours remaining, 233.640625 MB of memory in use. ENERGY: 253800 3988.1269 20616.3220 14542.1707 259.4053 -202840.1156 2030.7474 0.0000 0.0000 52198.2682 -109205.0751 299.9842 -161403.3434 -108837.6217 300.4163 -190.1014 -165.5018 759017.3269 13.9255 14.0315 PRESSURE: 254000 -58.4614 268.506 153.834 268.506 -159.122 114.683 153.833 114.685 -209.041 GPRESSURE: 254000 -91.5017 263.668 236.391 151.072 -115.933 48.918 103.213 89.4812 -150.726 PRESSAVG: 254000 -37.572 33.0937 0.252978 33.0937 18.1528 -12.7679 0.25302 -12.7679 -22.5188 GPRESSAVG: 254000 -38.5672 35.0458 -1.81114 31.1888 17.9048 -10.8716 1.99996 -16.807 -21.5303 TIMING: 254000 CPU: 799.264, 0.00314769/step Wall: 799.264, 0.00314769/step, 4.14971 hours remaining, 233.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 254000 4016.3455 20549.8012 14516.4536 252.7987 -203118.4078 2254.8500 0.0000 0.0000 52113.2650 -109414.8937 299.4957 -161528.1588 -109053.6647 300.0591 -142.2081 -119.3870 759373.6825 -13.9793 -14.0642 PRESSURE: 254200 -36.1531 27.6207 229.085 27.6199 -1.31607 -165.829 229.084 -165.831 -147.304 GPRESSURE: 254200 69.603 -57.4876 127.148 -73.3516 -68.5373 -176.331 207.532 -87.675 -102.298 PRESSAVG: 254200 -6.61221 12.4181 -13.7027 12.4182 -44.0103 -47.1587 -13.7027 -47.1586 5.26827 GPRESSAVG: 254200 -5.24587 10.6262 -11.4723 11.4521 -45.2831 -48.4057 -15.0773 -43.7855 5.20627 TIMING: 254200 CPU: 799.895, 0.00315376/step Wall: 799.895, 0.00315376/step, 4.15753 hours remaining, 233.640625 MB of memory in use. ENERGY: 254200 3978.8852 20385.9350 14471.0706 254.3391 -202787.5268 2018.2306 0.0000 0.0000 52257.7518 -109421.3145 300.3260 -161679.0664 -109055.1592 299.8935 -61.5909 -33.7440 759587.0588 -15.1181 -15.1076 PRESSURE: 254400 58.4835 -47.8263 -74.9898 -47.8267 -413.052 -77.4853 -74.9898 -77.485 101.797 GPRESSURE: 254400 90.4298 -58.8389 -28.7588 -67.072 -340.886 -95.6992 -2.26431 -194.894 92.5752 PRESSAVG: 254400 -8.67641 52.7311 9.23258 52.7311 -32.1883 -39.0619 9.23258 -39.062 11.0691 GPRESSAVG: 254400 -8.57842 51.9748 10.579 55.0076 -31.4532 -39.6257 7.84223 -39.6584 10.0596 TIMING: 254400 CPU: 800.522, 0.00313951/step Wall: 800.522, 0.00313951/step, 4.13857 hours remaining, 233.640625 MB of memory in use. ENERGY: 254400 3986.9242 20570.3220 14496.1200 241.6156 -203147.9517 2236.7715 0.0000 0.0000 52092.3331 -109523.8653 299.3754 -161616.1985 -109166.5798 300.2356 -84.2572 -52.6268 759215.6370 -9.9319 -9.9906 PRESSURE: 254600 -308.441 176.24 117.44 176.239 -6.1921 -233.902 117.439 -233.902 347.952 GPRESSURE: 254600 -222.353 201.743 104.511 159.355 108.29 -136.686 125.359 -187.989 223.153 PRESSAVG: 254600 -19.5531 86.4576 -4.7932 86.4575 51.901 -12.3252 -4.79317 -12.3252 14.0404 GPRESSAVG: 254600 -20.34 86.2437 -7.2424 85.3326 52.4153 -11.0937 -2.67595 -13.5595 14.2949 TIMING: 254600 CPU: 801.155, 0.00316328/step Wall: 801.155, 0.00316328/step, 4.16973 hours remaining, 233.640625 MB of memory in use. ENERGY: 254600 4047.5035 20604.1852 14513.1714 238.2220 -203013.8323 2247.4947 0.0000 0.0000 52069.5372 -109293.7184 299.2443 -161363.2555 -108928.9719 299.9161 11.1062 36.3634 758513.5984 15.4627 15.4567 PRESSURE: 254800 155.097 41.5243 -81.9637 41.5251 12.8263 71.6725 -81.9627 71.6732 -43.0819 GPRESSURE: 254800 269.15 -34.037 -115.243 13.3271 -43.2015 60.1685 -87.1181 44.9024 -23.1752 PRESSAVG: 254800 34.7963 7.89324 -53.6153 7.8932 -43.4657 -34.522 -53.6154 -34.522 -4.74628 GPRESSAVG: 254800 34.2617 10.5142 -53.4469 8.02837 -43.6518 -36.0031 -52.7579 -33.4056 -4.64998 TIMING: 254800 CPU: 801.787, 0.00315935/step Wall: 801.787, 0.00315935/step, 4.16437 hours remaining, 233.640625 MB of memory in use. ENERGY: 254800 4025.2128 20498.5991 14375.6318 240.3331 -202772.0780 2103.6641 0.0000 0.0000 52199.6327 -109329.0044 299.9920 -161528.6372 -108956.9215 299.8539 41.6139 67.5910 760529.5437 -4.4719 -4.6800 PRESSURE: 255000 -149.493 99.8804 24.9824 99.8796 -232.3 168.337 24.9813 168.337 -46.3962 GPRESSURE: 255000 -119.64 122.772 171.788 6.83215 -181.568 260.511 -120.458 -79.8025 -24.2608 PRESSAVG: 255000 25.386 42.1806 -18.8446 42.1806 33.198 -45.0385 -18.8447 -45.0386 -12.9959 GPRESSAVG: 255000 25.1824 39.7059 -17.604 40.4829 33.1067 -44.7167 -21.4011 -45.3206 -12.9944 TIMING: 255000 CPU: 802.419, 0.00315889/step Wall: 802.419, 0.00315889/step, 4.16359 hours remaining, 233.640625 MB of memory in use. ENERGY: 255000 4013.8040 20558.5983 14484.7856 248.6770 -203218.0358 2439.4876 0.0000 0.0000 52282.5059 -109190.1774 300.4683 -161472.6833 -108830.3255 299.8524 -142.7299 -108.4894 761276.1217 15.1960 15.0982 PRESSURE: 255200 -21.6921 -64.6006 -212.37 -64.6003 -56.5226 -180.281 -212.37 -180.28 10.8487 GPRESSURE: 255200 12.643 -124.426 -211.543 -17.1148 -24.287 -236.812 -141.357 -141.539 29.9239 PRESSAVG: 255200 38.2317 -44.1639 37.2383 -44.1639 -18.6795 -4.88483 37.2382 -4.88485 14.1542 GPRESSAVG: 255200 38.7664 -44.9758 35.7782 -39.1354 -18.2798 -5.82057 39.45 -4.81739 13.6714 TIMING: 255200 CPU: 803.045, 0.00313224/step Wall: 803.045, 0.00313224/step, 4.1283 hours remaining, 233.640625 MB of memory in use. ENERGY: 255200 4083.5567 20646.3592 14406.7925 250.0792 -203484.7967 2489.1268 0.0000 0.0000 52259.1892 -109349.6930 300.3343 -161608.8822 -108990.7228 300.2613 -22.4553 6.0933 758812.6233 11.2355 11.3860 PRESSURE: 255400 -22.9973 159.506 -47.1541 159.505 81.6951 25.8913 -47.1555 25.8921 -103.477 GPRESSURE: 255400 87.9384 196.172 -40.5522 106.258 93.116 15.2313 77.9088 69.4257 -167.57 PRESSAVG: 255400 36.568 36.2957 6.94202 36.2957 -32.6076 -8.15087 6.94207 -8.15096 6.93522 GPRESSAVG: 255400 37.232 39.616 6.93368 32.2401 -33.6614 -7.66758 7.39419 -5.52843 7.30961 TIMING: 255400 CPU: 803.671, 0.00312768/step Wall: 803.671, 0.00312768/step, 4.12211 hours remaining, 233.640625 MB of memory in use. ENERGY: 255400 3978.3502 20707.5705 14407.1893 244.3678 -202987.8388 2194.7020 0.0000 0.0000 52190.1757 -109265.4832 299.9377 -161455.6589 -108898.1382 299.7587 -14.9262 4.4948 760151.5769 3.6319 3.6267 PRESSURE: 255600 -51.9872 -116.175 -57.201 -116.175 385.867 -100.229 -57.2017 -100.229 -107.152 GPRESSURE: 255600 -43.0085 -11.941 -80.0407 35.0207 411.898 -88.3995 -176.864 -92.6984 -56.7114 PRESSAVG: 255600 -51.6447 -28.5131 -44.1057 -28.5131 20.7016 -22.4122 -44.1057 -22.4121 2.87663 GPRESSAVG: 255600 -51.6649 -31.6945 -43.3707 -27.4727 21.5581 -20.699 -45.7187 -25.0485 2.31658 TIMING: 255600 CPU: 804.298, 0.00313647/step Wall: 804.298, 0.00313647/step, 4.13352 hours remaining, 233.640625 MB of memory in use. ENERGY: 255600 4019.5574 20437.8858 14358.4860 244.8639 -203155.2783 2460.3719 0.0000 0.0000 52128.5358 -109505.5774 299.5834 -161634.1132 -109141.2591 299.6389 75.5758 104.0594 760381.5401 -9.3555 -9.2634 PRESSURE: 255800 -310.184 -42.8855 136.869 -42.8865 -467.213 229.222 136.869 229.222 -30.0757 GPRESSURE: 255800 -156.002 -87.379 109.485 -83.2508 -491.989 194.03 115.218 107.909 -49.7617 PRESSAVG: 255800 -23.2866 24.644 7.76441 24.6439 10.8135 28.9613 7.76442 28.9613 0.828682 GPRESSAVG: 255800 -23.7612 26.1084 6.24263 24.0777 9.94878 27.8974 8.97101 28.1163 1.42947 TIMING: 255800 CPU: 804.924, 0.00313223/step Wall: 804.924, 0.00313223/step, 4.12775 hours remaining, 233.640625 MB of memory in use. ENERGY: 255800 3960.8903 20474.1275 14451.2749 240.8950 -203103.5250 2281.7143 0.0000 0.0000 52134.4424 -109560.1806 299.6174 -161694.6230 -109194.8011 299.4211 -269.1575 -232.5842 760501.7080 -3.8814 -4.1276 PRESSURE: 256000 -77.3781 44.1445 77.3458 44.1451 92.3656 -128.164 77.3466 -128.165 177.095 GPRESSURE: 256000 -59.3696 182.441 105.891 125.893 166.059 -93.6963 167.406 -201.199 160.673 PRESSAVG: 256000 -5.34737 -10.1225 2.06937 -10.1226 6.05496 -1.11666 2.06935 -1.11668 7.82064 GPRESSAVG: 256000 -5.73633 -11.5375 2.1717 -7.69959 5.89581 -0.00209082 3.46214 1.64414 7.4995 TIMING: 256000 CPU: 805.554, 0.00314848/step Wall: 805.554, 0.00314848/step, 4.149 hours remaining, 233.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 256000 3954.3045 20531.4465 14461.5759 254.3166 -203595.6129 2619.9514 0.0000 0.0000 52142.3565 -109631.6616 299.6628 -161774.0181 -109268.9176 299.7287 64.0276 89.1205 760020.1698 2.8427 2.5530 PRESSURE: 256200 -17.7717 -157.426 138.689 -157.425 -144.034 -137.256 138.689 -137.257 -324.156 GPRESSURE: 256200 -12.5103 -169.623 86.5684 -201.544 -131.394 -155.455 59.7633 -141.376 -258.794 PRESSAVG: 256200 -52.5723 -54.6659 18.2997 -54.6659 57.5337 50.5613 18.2998 50.5613 36.4495 GPRESSAVG: 256200 -51.5232 -53.8572 19.6903 -56.1309 57.4227 49.5621 16.2513 47.4446 35.6826 TIMING: 256200 CPU: 806.18, 0.00312962/step Wall: 806.18, 0.00312962/step, 4.12396 hours remaining, 233.640625 MB of memory in use. ENERGY: 256200 4014.8363 20438.1166 14490.3328 228.1438 -203415.8297 2405.8426 0.0000 0.0000 51949.2280 -109889.3296 298.5529 -161838.5576 -109533.4763 299.0688 -161.9875 -134.2330 760592.6171 13.8036 13.8607 LDB: ============= START OF LOAD BALANCING ============== 818.576 LDB: ============== END OF LOAD BALANCING =============== 818.577 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 818.578 LDB: ============= START OF LOAD BALANCING ============== 818.892 LDB: Largest compute 7026 load 0.034371 is 17.6% of average load 0.195593 LDB: Average compute 0.004401 is 2.2% of average load 0.195593 LDB: TIME 818.895 LOAD: AVG 0.195593 MAX 0.213943 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.602 MB LDB: TIME 818.896 LOAD: AVG 0.195593 MAX 0.213943 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.785 MB LDB: TIME 818.896 LOAD: AVG 0.195593 MAX 0.213943 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.785 MB LDB: ============== END OF LOAD BALANCING =============== 818.898 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 818.903 PRESSURE: 256400 -254.857 172.915 -1.60586 172.915 -131.004 10.5468 -1.60555 10.5469 -303.397 GPRESSURE: 256400 -181.503 235.698 39.1916 231.431 -111.813 98.6391 55.7011 49.2489 -314.206 PRESSAVG: 256400 4.70454 -40.8794 62.0969 -40.8794 86.1755 33.7558 62.0968 33.7558 -3.3767 GPRESSAVG: 256400 4.07542 -40.7272 62.0908 -40.2363 85.7538 34.9073 62.0395 36.0056 -1.92881 TIMING: 256400 CPU: 806.82, 0.00319884/step Wall: 806.82, 0.00319884/step, 4.21501 hours remaining, 232.070312 MB of memory in use. ENERGY: 256400 3992.8635 20590.6474 14384.9389 252.0036 -203358.7459 2134.3503 0.0000 0.0000 52020.9017 -109983.0405 298.9648 -162003.9422 -109621.1572 298.7659 -229.7525 -202.5074 760071.2266 29.1678 29.3002 PRESSURE: 256600 110.377 45.5875 -14.02 45.5878 -188.378 208.066 -14.0206 208.066 -75.9397 GPRESSURE: 256600 180.431 43.601 -48.3778 33.0906 -185.059 224.679 -28.2439 127.595 -61.091 PRESSAVG: 256600 -33.3523 -25.2558 -21.6281 -25.2558 0.440603 66.7999 -21.6281 66.8 15.8559 GPRESSAVG: 256600 -33.5174 -26.7909 -21.089 -25.2452 1.14346 66.7745 -22.6655 66.0026 15.6625 TIMING: 256600 CPU: 807.451, 0.00315501/step Wall: 807.451, 0.00315501/step, 4.15707 hours remaining, 232.070312 MB of memory in use. ENERGY: 256600 3984.4060 20460.8948 14444.4524 246.1953 -203191.9320 2497.6234 0.0000 0.0000 51793.9424 -109764.4177 297.6605 -161558.3601 -109389.8888 299.0355 -51.3136 -21.9064 760792.7953 -5.6853 -5.5705 PRESSURE: 256800 108.342 187.378 152.457 187.378 -223.691 -33.6807 152.457 -33.6804 152.65 GPRESSURE: 256800 163.389 114.97 279.883 172.722 -224.299 -75.2368 98.4403 54.9246 161.671 PRESSAVG: 256800 5.93154 -27.6147 -4.25977 -27.6148 -24.8211 17.4926 -4.25971 17.4924 -0.601454 GPRESSAVG: 256800 6.26544 -28.8091 -4.77427 -27.9343 -26.6356 15.9457 -4.28181 16.4628 0.335743 TIMING: 256800 CPU: 808.078, 0.00313592/step Wall: 808.078, 0.00313592/step, 4.13175 hours remaining, 232.070312 MB of memory in use. ENERGY: 256800 4019.4772 20509.1155 14401.6462 259.9966 -203693.1126 2602.8070 0.0000 0.0000 52347.3449 -109552.7251 300.8409 -161900.0701 -109192.0684 299.4149 12.4336 33.5871 759510.4719 -6.4970 -6.6781 PRESSURE: 257000 -217.028 129.757 163.687 129.757 -200.269 249.382 163.687 249.381 -241.006 GPRESSURE: 257000 -199.648 183.298 199.915 125.499 -133.345 225.918 -57.5839 252.83 -238.094 PRESSAVG: 257000 -21.3455 -52.6977 15.6861 -52.6977 -15.6506 47.6265 15.6861 47.6265 -28.4928 GPRESSAVG: 257000 -21.115 -52.7408 16.6577 -52.7236 -15.1068 47.3092 15.8281 48.7624 -29.8018 TIMING: 257000 CPU: 808.708, 0.00314862/step Wall: 808.708, 0.00314862/step, 4.14831 hours remaining, 232.070312 MB of memory in use. ENERGY: 257000 4036.3149 20474.8571 14345.4514 254.6863 -203285.5460 2246.3302 0.0000 0.0000 52261.4478 -109666.4583 300.3473 -161927.9061 -109291.8062 299.6036 -219.4343 -190.3625 760017.4257 -21.8296 -22.0079 PRESSURE: 257200 311.381 133.451 -279.987 133.45 -281.145 9.3374 -279.986 9.33781 26.3042 GPRESSURE: 257200 335.75 86.8879 -213.241 51.4801 -201.283 -105.455 -361.486 168.502 14.0912 PRESSAVG: 257200 4.25616 -37.2898 -12.4549 -37.2898 15.4566 16.4525 -12.4549 16.4525 13.6726 GPRESSAVG: 257200 3.67206 -36.3399 -13.3278 -38.7662 15.278 17.6651 -11.9976 15.5638 14.3465 TIMING: 257200 CPU: 809.335, 0.00313684/step Wall: 809.335, 0.00313684/step, 4.13261 hours remaining, 232.070312 MB of memory in use. ENERGY: 257200 3995.7132 20555.8843 14433.9432 245.4988 -203504.3394 2579.8496 0.0000 0.0000 52029.6325 -109663.8177 299.0150 -161693.4502 -109290.5329 299.3396 18.8467 49.5195 760504.7700 11.1285 11.0989 PRESSURE: 257400 74.5885 166.451 -7.41557 166.449 248.663 -76.1131 -7.41532 -76.1134 -160.272 GPRESSURE: 257400 141.773 93.6586 -37.131 158.724 202.732 -19.8837 39.8817 21.3403 -93.6094 PRESSAVG: 257400 -3.63497 -15.5342 37.5527 -15.5342 13.2853 5.028 37.5527 5.0281 -6.33019 GPRESSAVG: 257400 -3.55023 -15.2138 36.8921 -13.9515 13.8222 6.26731 37.9299 6.72041 -7.21693 TIMING: 257400 CPU: 809.965, 0.00314894/step Wall: 809.965, 0.00314894/step, 4.14838 hours remaining, 232.070312 MB of memory in use. ENERGY: 257400 3979.0441 20412.7573 14449.0642 243.3097 -203110.2927 2398.0763 0.0000 0.0000 52014.2693 -109613.7718 298.9267 -161628.0411 -109247.6213 299.0083 54.3264 83.6320 759847.3906 1.1067 1.0184 PRESSURE: 257600 -262.845 -196.776 115.61 -196.777 -48.4238 132.855 115.61 132.856 -274.031 GPRESSURE: 257600 -269.777 -168.266 52.7876 -183.959 -13.4732 98.8596 109.832 67.8705 -220.759 PRESSAVG: 257600 26.2508 5.02525 1.75671 5.02529 -0.118874 34.9729 1.75667 34.9729 28.6937 GPRESSAVG: 257600 26.3329 3.83714 0.552265 6.27146 -0.503999 32.6206 1.6862 34.0773 28.6396 TIMING: 257600 CPU: 810.596, 0.00315432/step Wall: 810.596, 0.00315431/step, 4.15528 hours remaining, 232.070312 MB of memory in use. ENERGY: 257600 4026.7104 20644.2345 14417.2719 245.3693 -203285.2055 2583.0212 0.0000 0.0000 51813.6872 -109554.9111 297.7740 -161368.5984 -109206.6862 299.4145 -195.1002 -168.0032 762232.3450 18.2752 18.1562 PRESSURE: 257800 3.42505 0.130929 36.5734 0.131294 -302.481 286.975 36.574 286.974 -245.047 GPRESSURE: 257800 62.9701 -78.6145 76.6894 -46.3453 -286.64 294.887 113.448 365.015 -246.183 PRESSAVG: 257800 -46.8561 -26.9716 17.7036 -26.9716 25.9369 -24.7846 17.7036 -24.7847 4.64797 GPRESSAVG: 257800 -46.595 -26.0937 20.2753 -27.8073 25.3621 -22.3751 17.8968 -25.4545 5.34151 TIMING: 257800 CPU: 811.224, 0.00313883/step Wall: 811.224, 0.00313883/step, 4.13471 hours remaining, 232.070312 MB of memory in use. ENERGY: 257800 3973.7044 20341.2094 14415.7279 256.5476 -203263.6373 2544.5714 0.0000 0.0000 52123.7850 -109608.0916 299.5561 -161731.8765 -109240.4850 298.8445 -181.3678 -156.6178 761026.0832 -5.4237 -5.2971 PRESSURE: 258000 220.062 -35.5632 75.0826 -35.5626 -406.366 74.2068 75.0822 74.207 -141.427 GPRESSURE: 258000 223.316 -20.6787 11.5071 -42.8021 -331.219 64.706 27.6873 58.4181 -141.138 PRESSAVG: 258000 23.7273 -32.0058 17.5355 -32.0058 -24.449 8.21459 17.5355 8.21457 -37.7913 GPRESSAVG: 258000 24.5207 -30.0193 18.0713 -34.0609 -24.6345 9.1288 17.5889 7.22702 -38.6301 TIMING: 258000 CPU: 811.854, 0.00315249/step Wall: 811.854, 0.00315249/step, 4.15253 hours remaining, 232.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 258000 4079.6288 20438.1852 14390.8737 237.0658 -203073.6770 2589.4620 0.0000 0.0000 51767.0517 -109571.4098 297.5060 -161338.4615 -109199.2450 299.5576 -109.2434 -83.0135 761787.1664 -12.8376 -12.9146 PRESSURE: 258200 -154.927 253.524 -109.116 253.523 -14.2886 -170.323 -109.116 -170.322 -238.343 GPRESSURE: 258200 -82.2951 257.376 -196.886 221.42 -96.1715 -194.85 -68.2624 -116.628 -124.884 PRESSAVG: 258200 19.7405 32.6923 16.6544 32.6923 -26.7213 33.6818 16.6544 33.6818 -3.00793 GPRESSAVG: 258200 18.2973 32.0717 15.1931 34.5805 -26.0136 30.8023 17.232 34.7459 -2.4318 TIMING: 258200 CPU: 812.485, 0.00315573/step Wall: 812.485, 0.00315573/step, 4.15662 hours remaining, 232.070312 MB of memory in use. ENERGY: 258200 4091.1341 20545.4823 14414.9502 247.6769 -203429.2578 2419.5187 0.0000 0.0000 51986.4552 -109724.0404 298.7669 -161710.4956 -109360.1953 299.4245 -135.8526 -101.1168 758471.7110 -3.3296 -3.3827 PRESSURE: 258400 255.569 -9.73151 120.828 -9.73201 482.092 -251.46 120.828 -251.46 229.375 GPRESSURE: 258400 322.801 -4.33075 140.38 14.3548 536.78 -132.99 145.124 -169.724 194.511 PRESSAVG: 258400 -39.7826 5.7779 70.0719 5.77793 21.4402 19.095 70.072 19.0949 -3.28386 GPRESSAVG: 258400 -39.0149 6.78981 70.1823 4.28962 21.4105 20.829 70.543 20.6632 -3.88247 TIMING: 258400 CPU: 813.112, 0.0031331/step Wall: 813.112, 0.0031331/step, 4.12663 hours remaining, 232.070312 MB of memory in use. ENERGY: 258400 3938.2497 20445.9859 14426.8766 238.6369 -203771.4605 2678.2777 0.0000 0.0000 52060.5338 -109982.9000 299.1926 -162043.4338 -109620.8171 299.3869 322.3454 351.3639 758753.2000 -7.2088 -7.1623 PRESSURE: 258600 99.5516 116.562 160.856 116.562 -256.391 36.5792 160.855 36.5805 322.035 GPRESSURE: 258600 141.635 189.652 100.268 84.7164 -183.901 118.84 12.711 65.1291 322.583 PRESSAVG: 258600 7.4881 8.75989 44.8843 8.75988 1.36927 53.3428 44.8843 53.3428 -3.41233 GPRESSAVG: 258600 7.11525 6.18551 44.7209 11.2223 0.20398 53.316 44.6924 51.2499 -1.80733 TIMING: 258600 CPU: 813.737, 0.00312821/step Wall: 813.737, 0.00312821/step, 4.12003 hours remaining, 232.070312 MB of memory in use. ENERGY: 258600 3992.2623 20366.0164 14385.7269 265.5326 -203623.9639 2568.5049 0.0000 0.0000 51862.7276 -110183.1934 298.0558 -162045.9210 -109815.5502 297.7785 55.0654 93.4392 757911.7197 1.8150 1.8373 PRESSURE: 258800 -378.832 -86.0226 -213.706 -86.0232 -165.478 0.189583 -213.706 0.19011 -307.801 GPRESSURE: 258800 -318.461 -32.7094 -192.717 -161.721 -193.294 66.6504 -165.343 -130.893 -256.04 PRESSAVG: 258800 -66.1438 15.066 1.03593 15.066 20.7709 51.5383 1.03592 51.5383 -1.39345 GPRESSAVG: 258800 -65.3859 15.427 1.88844 13.2474 21.2752 51.1882 0.0851511 51.35 -2.46379 TIMING: 258800 CPU: 814.367, 0.00314543/step Wall: 814.367, 0.00314543/step, 4.14253 hours remaining, 232.070312 MB of memory in use. ENERGY: 258800 3981.1344 20537.2337 14405.9706 240.6686 -203042.0765 1928.3499 0.0000 0.0000 51746.1748 -110202.5446 297.3860 -161948.7193 -109848.8027 297.7783 -284.0369 -255.9318 759605.2716 -15.5888 -15.5248 PRESSURE: 259000 286.539 183.518 -162.683 183.517 171.798 70.8049 -162.683 70.8052 16.4506 GPRESSURE: 259000 315.077 180.053 -139.123 196.648 198.345 49.8635 -130.061 38.2979 33.7697 PRESSAVG: 259000 -17.1074 25.2449 -36.3179 25.2449 43.5616 53.1443 -36.3179 53.1443 -10.3409 GPRESSAVG: 259000 -17.6155 25.9669 -37.835 25.6187 43.9395 51.6092 -35.5412 55.7835 -10.2769 TIMING: 259000 CPU: 814.997, 0.00315416/step Wall: 814.997, 0.00315416/step, 4.15385 hours remaining, 232.070312 MB of memory in use. ENERGY: 259000 3976.5547 20471.8234 14371.1994 246.7509 -203674.7808 2414.8273 0.0000 0.0000 52089.3270 -110104.2981 299.3581 -162193.6251 -109740.7839 297.6588 158.2625 182.3972 757690.6833 5.3711 5.3490 PRESSURE: 259200 -173.187 27.1465 266.148 27.1463 -136.378 -279.153 266.149 -279.153 119.86 GPRESSURE: 259200 -106.062 46.0771 296.035 -0.165244 -151.572 -234.202 217.385 -55.2762 142.935 PRESSAVG: 259200 -30.7923 25.1614 -22.0315 25.1614 64.9825 10.3951 -22.0315 10.3952 3.91094 GPRESSAVG: 259200 -30.6593 24.4472 -20.2987 25.3375 64.9958 12.6044 -19.9173 8.60628 3.49934 TIMING: 259200 CPU: 815.631, 0.00316733/step Wall: 815.631, 0.00316733/step, 4.17102 hours remaining, 232.070312 MB of memory in use. ENERGY: 259200 3986.5229 20519.0857 14397.2524 244.1007 -203400.2238 2269.5636 0.0000 0.0000 51945.7174 -110037.9810 298.5328 -161983.6984 -109695.9745 298.1047 -63.2353 -38.2332 760326.0157 12.7004 12.6120 PRESSURE: 259400 -189.685 35.2893 140.711 35.2896 -410.983 299.503 140.71 299.503 -422.592 GPRESSURE: 259400 -169.549 33.5631 178.15 12.8154 -318.89 255.045 -11.9994 153.578 -431.638 PRESSAVG: 259400 -43.3614 21.6162 8.02428 21.6162 41.625 -0.102782 8.0243 -0.102834 -29.7832 GPRESSAVG: 259400 -43.435 25.1513 9.31256 19.9707 40.356 -0.903935 3.37748 0.599939 -28.4925 TIMING: 259400 CPU: 816.265, 0.00317024/step Wall: 816.265, 0.00317024/step, 4.17468 hours remaining, 232.070312 MB of memory in use. ENERGY: 259400 3996.2919 20465.1050 14401.8019 241.1750 -203365.7380 2249.3379 0.0000 0.0000 51903.7860 -110108.2404 298.2918 -162012.0263 -109753.8065 298.1957 -341.0867 -306.6923 759898.8787 -10.5065 -10.5238 PRESSURE: 259600 -55.811 35.6471 111.298 35.6455 -246.592 -158.806 111.298 -158.807 -323.043 GPRESSURE: 259600 -44.9931 73.3196 122.743 66.9584 -207.799 -121.849 90.0569 -304.335 -287.488 PRESSAVG: 259600 -11.1174 -4.64448 26.9234 -4.6444 56.3523 -2.22552 26.9234 -2.22557 29.8798 GPRESSAVG: 259600 -12.077 -8.09581 24.636 -1.26707 57.5668 -3.95051 28.4768 -1.09606 29.5075 TIMING: 259600 CPU: 816.894, 0.00314423/step Wall: 816.894, 0.00314423/step, 4.14025 hours remaining, 232.070312 MB of memory in use. ENERGY: 259600 3978.4929 20254.1294 14444.7806 247.1670 -203250.0321 2396.6452 0.0000 0.0000 51932.0930 -109996.7240 298.4545 -161928.8170 -109641.5206 298.0278 -208.4822 -180.0935 760234.6515 25.0382 24.9991 PRESSURE: 259800 -148.597 -76.2833 -109.539 -76.2837 -346.945 84.3128 -109.539 84.3126 -618.615 GPRESSURE: 259800 -190.923 -46.023 -202.028 -107.426 -173.194 126.87 -175.722 -21.2048 -667.139 PRESSAVG: 259800 46.0293 30.1786 -47.2657 30.1785 7.55912 -35.0513 -47.2657 -35.0513 -38.4988 GPRESSAVG: 259800 46.7338 30.9242 -46.6476 26.8652 8.14325 -34.6809 -47.0878 -34.2598 -38.8045 TIMING: 259800 CPU: 817.524, 0.00315058/step Wall: 817.524, 0.00315058/step, 4.14844 hours remaining, 232.070312 MB of memory in use. ENERGY: 259800 4027.8075 20362.3592 14431.5594 240.6802 -202973.3064 2174.7851 0.0000 0.0000 51846.9116 -109889.2034 297.9649 -161736.1150 -109534.4077 297.9453 -371.3856 -343.7523 761932.1798 5.0299 5.3575 PRESSURE: 260000 -92.2283 -135.467 137.89 -135.467 -230.011 82.5351 137.89 82.5354 -250.794 GPRESSURE: 260000 -122.802 -218.963 187.128 -1.32139 -176.031 60.1976 183.597 -97.6864 -186.707 PRESSAVG: 260000 23.7753 11.2906 3.94322 11.2905 -45.1618 43.4006 3.94314 43.4005 -7.26559 GPRESSAVG: 260000 24.812 9.67197 3.97619 14.3343 -46.7722 43.3562 5.12465 42.0398 -7.22211 TIMING: 260000 CPU: 818.152, 0.00314019/step Wall: 818.152, 0.00314019/step, 4.13459 hours remaining, 232.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 260000 4038.4868 20347.9629 14390.5016 249.4853 -202923.3759 2230.8015 0.0000 0.0000 51916.5524 -109749.5854 298.3651 -161666.1378 -109390.5044 298.1586 -191.0111 -161.8465 761315.2459 -9.5507 -9.7274 PRESSURE: 260200 17.1623 -239.11 -277.797 -239.111 197.459 115.34 -277.797 115.34 124.613 GPRESSURE: 260200 41.5997 -228.966 -285.094 -227.012 239.233 193.573 -232.16 57.652 155.913 PRESSAVG: 260200 -0.828717 -19.8379 -12.0428 -19.8379 12.5845 -27.2988 -12.0428 -27.2989 -4.91532 GPRESSAVG: 260200 -0.735281 -17.6566 -12.3953 -21.6482 12.9289 -27.0673 -13.5866 -28.4937 -4.79167 TIMING: 260200 CPU: 818.78, 0.00314246/step Wall: 818.78, 0.00314246/step, 4.1374 hours remaining, 232.070312 MB of memory in use. ENERGY: 260200 3962.8682 20323.5039 14426.1663 240.2772 -202999.2840 2353.0920 0.0000 0.0000 52086.2952 -109607.0812 299.3407 -161693.3764 -109242.4122 298.6644 113.0780 145.5820 760604.4805 2.2802 2.4673 LDB: ============= START OF LOAD BALANCING ============== 831.177 LDB: ============== END OF LOAD BALANCING =============== 831.177 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 831.179 LDB: ============= START OF LOAD BALANCING ============== 831.493 LDB: Largest compute 7025 load 0.032784 is 16.8% of average load 0.195658 LDB: Average compute 0.004376 is 2.2% of average load 0.195658 LDB: TIME 831.497 LOAD: AVG 0.195658 MAX 0.215161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.645 MB LDB: TIME 831.498 LOAD: AVG 0.195658 MAX 0.215161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.848 MB LDB: TIME 831.498 LOAD: AVG 0.195658 MAX 0.215161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.848 MB LDB: ============== END OF LOAD BALANCING =============== 831.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 831.505 PRESSURE: 260400 28.9155 161.213 -76.5945 161.213 -457.63 16.2116 -76.5943 16.2122 -306.103 GPRESSURE: 260400 -94.408 106.923 -140.032 193.863 -321.788 -102.809 40.2657 178.509 -215.075 PRESSAVG: 260400 -7.71948 -5.54434 15.5689 -5.54434 23.4647 14.5586 15.5688 14.5587 -13.598 GPRESSAVG: 260400 -8.58026 -6.08122 15.7652 -6.18376 23.7942 14.7495 18.1042 15.322 -13.0008 TIMING: 260400 CPU: 819.422, 0.00320854/step Wall: 819.422, 0.00320854/step, 4.22422 hours remaining, 231.750000 MB of memory in use. ENERGY: 260400 3960.1946 20408.5978 14434.5015 242.9854 -202657.6500 2062.0329 0.0000 0.0000 52027.2337 -109522.1042 299.0012 -161549.3378 -109159.5162 298.9538 -244.9393 -210.4237 761206.8155 0.7157 0.7377 PRESSURE: 260600 258.953 7.37303 -15.1297 7.37294 -204.398 -3.6204 -15.13 -3.61984 153.082 GPRESSURE: 260600 337.916 126.054 -83.0591 65.9172 -152.819 -64.1786 -26.1982 -16.5588 125.145 PRESSAVG: 260600 1.10142 9.95309 8.46548 9.95314 35.3072 37.1929 8.46547 37.1929 3.39996 GPRESSAVG: 260600 0.734127 9.50022 9.42503 11.4862 35.6498 36.1612 6.28118 35.4385 2.77377 TIMING: 260600 CPU: 820.05, 0.00314013/step Wall: 820.05, 0.00314013/step, 4.13398 hours remaining, 231.750000 MB of memory in use. ENERGY: 260600 3936.2804 20309.9655 14414.1640 244.6575 -202880.0229 2328.3462 0.0000 0.0000 52187.4050 -109459.2043 299.9217 -161646.6093 -109089.6112 298.9803 69.2122 103.4140 759393.9959 13.2695 13.0526 PRESSURE: 260800 346.93 -141.197 106.008 -141.196 205.802 -275.475 106.008 -275.475 336.591 GPRESSURE: 260800 322.615 -72.6836 196.235 -114.102 371.156 -250.644 146.064 -149.763 295.42 PRESSAVG: 260800 -25.3383 -16.2845 12.2147 -16.2844 38.2776 20.1941 12.2147 20.1941 29.8759 GPRESSAVG: 260800 -24.2064 -16.0501 13.2829 -15.9273 38.1669 23.2281 9.94594 23.5537 29.2003 TIMING: 260800 CPU: 820.678, 0.00314061/step Wall: 820.678, 0.00314061/step, 4.13444 hours remaining, 231.750000 MB of memory in use. ENERGY: 260800 3958.7315 20329.3380 14453.8198 249.8745 -203340.0192 2724.2870 0.0000 0.0000 52305.1730 -109318.7954 300.5985 -161623.9684 -108955.3458 299.6301 296.4410 329.7303 758897.3951 14.2717 14.3869 PRESSURE: 261000 -157.29 0.120909 -260.277 0.121158 -404.798 233.821 -260.278 233.82 -552.279 GPRESSURE: 261000 -154.557 -103.245 -230.883 17.9865 -309.329 187.4 -234.409 158.135 -559.22 PRESSAVG: 261000 -9.03399 -23.5386 11.9791 -23.5387 -9.79173 7.16603 11.979 7.1661 -15.0337 GPRESSAVG: 261000 -10.4751 -24.4395 11.6472 -23.5224 -9.67896 7.09217 14.357 5.44405 -13.6023 TIMING: 261000 CPU: 821.307, 0.00314351/step Wall: 821.307, 0.00314351/step, 4.13808 hours remaining, 231.750000 MB of memory in use. ENERGY: 261000 3946.5983 20374.0169 14458.7277 259.4289 -202310.7209 1953.5446 0.0000 0.0000 52110.2430 -109208.1614 299.4783 -161318.4044 -108847.7555 299.9866 -371.4556 -341.0352 761214.0941 -11.2865 -11.2521 PRESSURE: 261200 -5.65037 -256.171 -27.3584 -256.171 -178.92 242.769 -27.3587 242.769 -10.5171 GPRESSURE: 261200 17.3226 -181.325 -79.687 -175.003 -105.5 269.577 -52.0295 237.148 -12.4921 PRESSAVG: 261200 -52.7561 -11.9421 -2.84589 -11.9421 16.8341 22.4809 -2.84589 22.4809 -8.04897 GPRESSAVG: 261200 -51.8192 -10.9201 -5.17746 -12.6724 17.5024 21.0486 -2.88762 21.7353 -9.66421 TIMING: 261200 CPU: 821.937, 0.00315/step Wall: 821.937, 0.00315/step, 4.14644 hours remaining, 231.750000 MB of memory in use. ENERGY: 261200 3897.4081 20481.9554 14415.0304 251.6966 -203080.2248 2394.5102 0.0000 0.0000 52396.7779 -109242.8462 301.1250 -161639.6241 -108886.1736 300.1344 -65.0292 -33.5565 761114.9597 -14.6570 -14.6603 PRESSURE: 261400 147.437 -92.1568 -136.241 -92.1568 -31.4656 119.47 -136.242 119.471 128.076 GPRESSURE: 261400 166.76 -16.0962 23.242 -150.225 75.2095 124.015 -19.2999 -35.0803 83.7399 PRESSAVG: 261400 24.7158 -27.3934 29.6082 -27.3934 -32.7442 26.5129 29.6083 26.5129 23.0902 GPRESSAVG: 261400 24.8551 -27.6994 31.3397 -25.9859 -34.0548 27.5047 29.8369 26.1466 24.3283 TIMING: 261400 CPU: 822.568, 0.00315291/step Wall: 822.568, 0.00315291/step, 4.1501 hours remaining, 231.750000 MB of memory in use. ENERGY: 261400 3985.7927 20606.5048 14412.9344 247.2380 -202984.4527 2298.6705 0.0000 0.0000 52382.8220 -109050.4903 301.0448 -161433.3123 -108687.1383 300.1811 81.3492 108.5698 761060.5726 5.0206 5.0429 PRESSURE: 261600 387.303 313.962 24.038 313.962 -17.1245 -135.453 24.038 -135.451 -152.591 GPRESSURE: 261600 362.197 173.368 62.4894 298.071 128.651 -233.837 50.3375 -17.1399 -177.352 PRESSAVG: 261600 -22.0928 2.05391 -39.1845 2.0539 -34.5553 -4.09816 -39.1845 -4.0982 -22.5278 GPRESSAVG: 261600 -22.4148 2.34825 -37.9698 0.885751 -33.3659 -4.09011 -39.3295 -4.15508 -23.0877 TIMING: 261600 CPU: 823.195, 0.00313567/step Wall: 823.195, 0.00313567/step, 4.12724 hours remaining, 231.750000 MB of memory in use. ENERGY: 261600 4042.0873 20670.3346 14449.7177 259.3032 -202942.6370 2457.2987 0.0000 0.0000 52271.9204 -108791.9750 300.4074 -161063.8955 -108449.1992 301.1453 72.5291 104.4988 761957.0129 -26.3919 -26.2895 PRESSURE: 261800 -160.487 -168.263 42.6193 -168.262 -99.8542 22.8393 42.6188 22.8397 -429.531 GPRESSURE: 261800 -173.192 5.27512 41.7825 -174.022 -16.9682 31.067 -21.0731 -90.8383 -396.084 PRESSAVG: 261800 16.5166 -22.9027 -45.6705 -22.9028 -15.8083 -3.57353 -45.6706 -3.57346 26.2107 GPRESSAVG: 261800 16.8506 -21.9962 -47.8871 -22.0359 -17.3734 -2.79667 -44.6329 -4.32663 27.1378 TIMING: 261800 CPU: 823.825, 0.00314971/step Wall: 823.825, 0.00314972/step, 4.14555 hours remaining, 231.750000 MB of memory in use. ENERGY: 261800 4037.4319 20457.2761 14364.5162 239.7955 -202343.8922 2098.4612 0.0000 0.0000 52288.8739 -108857.5373 300.5049 -161146.4113 -108489.2011 301.1620 -229.9576 -195.4146 760873.8108 8.9730 8.8717 PRESSURE: 262000 348.393 137.814 24.3215 137.814 -17.4953 -0.422407 24.3216 -0.422432 -188.974 GPRESSURE: 262000 469.571 30.6763 32.4767 48.2266 -36.4547 72.8181 106.987 -75.3764 -183.036 PRESSAVG: 262000 15.0587 5.12353 3.47012 5.12356 -52.3106 -7.662 3.47006 -7.66197 -21.0114 GPRESSAVG: 262000 15.1966 5.30108 4.95064 5.80374 -51.3791 -8.84706 3.24706 -4.80591 -22.2298 TIMING: 262000 CPU: 824.451, 0.00313078/step Wall: 824.451, 0.00313078/step, 4.12045 hours remaining, 231.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 262000 4013.5624 20474.9745 14380.4748 240.5844 -202923.3633 2639.0125 0.0000 0.0000 52052.0377 -109122.7169 299.1438 -161174.7546 -108769.2018 300.2401 47.3079 83.3601 762263.2948 -19.4211 -19.4708 PRESSURE: 262200 0.764112 -84.0201 73.6859 -84.0202 63.0747 28.9541 73.6863 28.9542 433.075 GPRESSURE: 262200 101.377 -122.105 50.802 -43.055 97.7457 3.20583 47.6092 113.727 388.37 PRESSAVG: 262200 75.2526 -3.88529 -11.5467 -3.88525 -24.1442 -26.0654 -11.5467 -26.0653 3.23488 GPRESSAVG: 262200 75.2292 -7.70752 -10.8225 -3.41464 -23.3619 -25.4521 -13.0975 -27.312 2.1575 TIMING: 262200 CPU: 825.081, 0.00314916/step Wall: 825.081, 0.00314916/step, 4.14447 hours remaining, 231.750000 MB of memory in use. ENERGY: 262200 3955.0927 20527.9271 14387.6827 245.1518 -202951.2821 2608.5318 0.0000 0.0000 51934.8763 -109292.0197 298.4704 -161226.8960 -108927.8270 299.7232 165.6380 195.8308 762446.3134 18.1144 18.0083 PRESSURE: 262400 137.969 -162.16 -65.0867 -162.16 -270.123 53.2751 -65.0865 53.2757 93.0542 GPRESSURE: 262400 181.478 -104.737 -109.896 -102.51 -213.615 -39.4949 -118.009 26.0701 79.3949 PRESSAVG: 262400 -21.9584 -27.6196 13.3252 -27.6196 -28.341 -68.7916 13.3253 -68.7917 -2.29023 GPRESSAVG: 262400 -22.7155 -26.5515 13.0971 -27.1507 -28.8155 -69.6109 13.0558 -69.106 -0.895546 TIMING: 262400 CPU: 825.715, 0.00317309/step Wall: 825.715, 0.00317309/step, 4.17579 hours remaining, 231.750000 MB of memory in use. ENERGY: 262400 3975.0867 20413.4335 14431.9036 252.4170 -203183.0295 2638.1144 0.0000 0.0000 52211.1545 -109260.9200 300.0582 -161472.0744 -108906.4714 299.6034 -13.0334 15.7524 762019.1706 -17.5299 -17.4755 PRESSURE: 262600 -6.09372 100.454 149.471 100.453 -51.7795 11.5414 149.47 11.5412 -231.393 GPRESSURE: 262600 39.5079 64.5684 141.077 180.175 33.6986 16.8942 181.447 93.092 -272.006 PRESSAVG: 262600 -36.7339 -3.87552 -17.0073 -3.87554 15.9098 -43.1678 -17.0073 -43.1678 -23.7545 GPRESSAVG: 262600 -35.2575 -3.36499 -18.2444 -3.10988 14.7571 -43.0685 -15.9009 -43.1276 -23.7785 TIMING: 262600 CPU: 826.344, 0.00314359/step Wall: 826.344, 0.00314358/step, 4.13678 hours remaining, 231.750000 MB of memory in use. ENERGY: 262600 4051.9012 20360.1909 14421.7610 245.2796 -203465.1231 2848.5145 0.0000 0.0000 52078.0526 -109459.4233 299.2933 -161537.4759 -109100.3892 299.4979 -96.4222 -66.2666 761161.6867 -14.8595 -14.7596 PRESSURE: 262800 -7.081 -203.073 149.467 -203.074 -174.312 -126.943 149.467 -126.943 140.614 GPRESSURE: 262800 85.7144 -86.4794 97.1175 -235.972 -172.16 -176.712 183.835 -134.679 103.871 PRESSAVG: 262800 16.8345 -21.883 -2.33328 -21.883 -21.8108 3.18035 -2.33326 3.18027 7.12119 GPRESSAVG: 262800 15.7278 -21.3156 -3.01271 -23.8502 -20.5887 2.91023 -2.12581 2.70318 6.71228 TIMING: 262800 CPU: 826.971, 0.00313299/step Wall: 826.971, 0.00313299/step, 4.12266 hours remaining, 231.750000 MB of memory in use. ENERGY: 262800 3992.5062 20562.4719 14399.6122 259.2379 -203024.3072 2334.6881 0.0000 0.0000 52108.7605 -109367.0305 299.4698 -161475.7910 -109006.1200 299.9790 -13.5931 5.8085 760356.7789 0.7149 0.6171 PRESSURE: 263000 -303.546 282.207 59.4977 282.207 -243.889 160.997 59.4973 160.998 -350.93 GPRESSURE: 263000 -222.177 223.019 -8.00276 155.401 -246.779 138.225 -33.4309 42.3733 -355.81 PRESSAVG: 263000 21.7642 -23.3022 -44.9064 -23.3022 -26.0416 11.4258 -44.9064 11.4259 6.96718 GPRESSAVG: 263000 22.562 -23.7636 -44.6236 -23.4304 -26.4103 9.53022 -44.8105 10.8649 6.95599 TIMING: 263000 CPU: 827.599, 0.00314/step Wall: 827.599, 0.00314/step, 4.13171 hours remaining, 231.750000 MB of memory in use. ENERGY: 263000 3958.7512 20475.8164 14357.4942 246.0980 -202788.8662 2139.2162 0.0000 0.0000 51857.2629 -109754.2274 298.0244 -161611.4902 -109388.5247 299.3108 -299.4553 -274.9218 761840.5917 0.8966 1.0359 PRESSURE: 263200 132.83 -64.2618 6.31704 -64.2626 -490.893 140.213 6.31699 140.214 24.9338 GPRESSURE: 263200 36.4565 -57.9898 -13.9403 53.0799 -423.674 235.019 58.0916 109.193 146.308 PRESSAVG: 263200 82.9346 19.4845 15.6681 19.4845 -36.168 -5.59112 15.668 -5.59114 19.5725 GPRESSAVG: 263200 82.2879 19.3497 17.4409 19.9483 -36.4254 -3.58346 16.4089 -3.86008 21.2332 TIMING: 263200 CPU: 828.23, 0.00315908/step Wall: 828.23, 0.00315908/step, 4.15665 hours remaining, 231.750000 MB of memory in use. ENERGY: 263200 3891.8984 20446.6422 14467.5532 242.0168 -203342.0785 2420.5704 0.0000 0.0000 52283.7365 -109589.6610 300.4754 -161873.3975 -109224.6365 299.2477 -111.0431 -80.3031 759851.6445 22.1130 22.3652 PRESSURE: 263400 -213.049 -150.123 -133.357 -150.121 -152.615 27.289 -133.357 27.2889 -279.05 GPRESSURE: 263400 -177.931 -126.268 -195.964 -154.495 -203.728 49.8829 -225.574 -49.8018 -176.005 PRESSAVG: 263400 4.24437 -4.49029 -52.7986 -4.49021 -79.501 -4.66986 -52.7986 -4.66987 -10.6224 GPRESSAVG: 263400 6.42419 -5.80986 -53.9982 -3.75815 -79.1697 -5.73213 -52.6605 -5.60355 -12.2819 TIMING: 263400 CPU: 828.86, 0.0031472/step Wall: 828.86, 0.0031472/step, 4.14084 hours remaining, 231.750000 MB of memory in use. ENERGY: 263400 4002.2871 20310.5607 14404.7202 249.1309 -203107.8946 2354.7010 0.0000 0.0000 52108.2187 -109678.2761 299.4666 -161786.4948 -109311.5925 299.0096 -214.9047 -185.8877 761030.7510 -28.6263 -28.3424 PRESSURE: 263600 -312.659 -123.34 55.1566 -123.341 -21.1558 0.675073 55.1571 0.676138 198.835 GPRESSURE: 263600 -209.727 -140.451 33.9108 -58.2556 3.45847 -36.589 -71.9431 -11.6939 168.029 PRESSAVG: 263600 -16.806 -53.9592 -2.1227 -53.9592 38.4543 -27.3794 -2.12268 -27.3794 10.5656 GPRESSAVG: 263600 -17.1451 -53.6737 -3.29817 -53.1619 38.3446 -27.6712 -4.50987 -26.0092 10.2868 TIMING: 263600 CPU: 829.492, 0.00315892/step Wall: 829.492, 0.00315892/step, 4.15608 hours remaining, 231.750000 MB of memory in use. ENERGY: 263600 4012.5984 20428.1323 14384.9434 243.2865 -203139.4265 2444.9230 0.0000 0.0000 51818.1186 -109807.4242 297.7994 -161625.5429 -109448.7037 298.4780 -44.9930 -12.7465 760407.9180 10.7380 10.4954 PRESSURE: 263800 -18.226 -139.852 48.7406 -139.851 -37.8365 173.777 48.7405 173.776 251.96 GPRESSURE: 263800 0.196767 -151.638 9.95997 -42.9675 86.7304 93.0094 55.6244 203.918 189.504 PRESSAVG: 263800 8.95611 -49.1646 -0.851775 -49.1646 4.77892 -9.20214 -0.851743 -9.2022 3.31034 GPRESSAVG: 263800 8.37383 -48.2554 1.45272 -49.5203 4.33641 -8.73898 -1.42685 -10.1129 4.50787 TIMING: 263800 CPU: 830.124, 0.00315967/step Wall: 830.124, 0.00315967/step, 4.1569 hours remaining, 231.750000 MB of memory in use. ENERGY: 263800 4012.5793 20339.5319 14411.7131 246.1579 -203088.3368 2271.0046 0.0000 0.0000 52169.7985 -109637.5515 299.8205 -161807.3501 -109278.0684 299.1415 65.2991 92.1437 761073.0414 5.6818 5.7394 PRESSURE: 264000 -8.11812 -73.9311 26.4805 -73.9306 25.1622 197.195 26.4813 197.195 138.872 GPRESSURE: 264000 35.3614 -184.274 90.8687 -87.4724 40.6585 158.934 -60.0148 2.4257 150.595 PRESSAVG: 264000 49.5331 -77.7195 -39.4396 -77.7195 -65.2821 28.5419 -39.4396 28.5419 10.0808 GPRESSAVG: 264000 48.7714 -77.5037 -40.7564 -78.8596 -66.3383 30.3894 -39.4705 27.8007 10.957 TIMING: 264000 CPU: 830.756, 0.0031633/step Wall: 830.756, 0.0031633/step, 4.16149 hours remaining, 231.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 264000 4024.9856 20618.3017 14406.2548 229.2497 -203311.9573 2611.2111 0.0000 0.0000 52144.9982 -109276.9563 299.6780 -161421.9545 -108919.1406 300.0329 51.9720 75.5383 760453.8645 -1.8894 -2.2033 PRESSURE: 264200 -406.464 -131.072 82.1501 -131.072 118.029 -110.592 82.1505 -110.592 -814.121 GPRESSURE: 264200 -250.928 -143.128 126.952 -135.078 19.658 -52.8567 0.498824 -127.791 -806.019 PRESSAVG: 264200 -25.1001 -39.3261 2.50923 -39.3261 26.2959 12.1477 2.50927 12.1477 -11.9489 GPRESSAVG: 264200 -24.842 -38.4926 2.01383 -40.8673 27.0495 9.4754 3.89085 15.2407 -12.4405 TIMING: 264200 CPU: 831.39, 0.00316942/step Wall: 831.39, 0.00316942/step, 4.16937 hours remaining, 231.750000 MB of memory in use. ENERGY: 264200 4045.9753 20433.9690 14391.6595 243.9560 -202921.2327 2230.6446 0.0000 0.0000 52237.0894 -109337.9390 300.2073 -161575.0284 -108968.0464 300.6494 -367.5187 -345.7629 761296.4886 -3.5844 -3.4110 LDB: ============= START OF LOAD BALANCING ============== 843.794 LDB: ============== END OF LOAD BALANCING =============== 843.794 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 843.796 LDB: ============= START OF LOAD BALANCING ============== 844.113 LDB: Largest compute 7026 load 0.032725 is 16.7% of average load 0.195548 LDB: Average compute 0.004376 is 2.2% of average load 0.195548 LDB: TIME 844.117 LOAD: AVG 0.195548 MAX 0.221432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.523 MB LDB: TIME 844.117 LOAD: AVG 0.195548 MAX 0.221432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.66 MB LDB: TIME 844.117 LOAD: AVG 0.195548 MAX 0.217383 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.66 MB LDB: ============== END OF LOAD BALANCING =============== 844.119 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 844.124 PRESSURE: 264400 207.749 -1.7454 -28.6621 -1.74643 -45.747 -64.809 -28.6611 -64.8097 148.452 GPRESSURE: 264400 279.307 -2.82928 -73.4009 -16.6645 -77.4113 -24.0332 -94.0777 -49.9177 160.713 PRESSAVG: 264400 -33.3865 -71.2319 -39.5106 -71.2319 5.28791 -5.17443 -39.5107 -5.17433 -13.2055 GPRESSAVG: 264400 -31.7847 -71.4666 -38.6687 -70.988 5.63522 -5.3091 -36.9763 -8.45919 -14.9423 TIMING: 264400 CPU: 832.041, 0.00325492/step Wall: 832.041, 0.00325492/step, 4.28167 hours remaining, 231.386719 MB of memory in use. ENERGY: 264400 3975.8749 20509.9609 14347.3211 244.8616 -203289.7378 2567.8732 0.0000 0.0000 52319.6443 -109324.2018 300.6817 -161643.8461 -108969.7314 299.5452 103.4847 120.8695 761376.6041 -13.7680 -13.6972 PRESSURE: 264600 -348.411 -95.0243 38.6865 -95.0252 -325.002 -159.966 38.6869 -159.966 -16.9668 GPRESSURE: 264600 -285.65 -127.136 97.6797 -119.637 -297.426 -136.228 104.448 -112.037 -2.72212 PRESSAVG: 264600 20.2 -34.2133 33.9272 -34.2133 5.93638 17.2114 33.9272 17.2115 -5.08017 GPRESSAVG: 264600 19.4646 -35.4885 32.2705 -33.1188 5.98412 20.3698 33.6164 18.5784 -4.2899 TIMING: 264600 CPU: 832.672, 0.00315354/step Wall: 832.672, 0.00315354/step, 4.14813 hours remaining, 231.386719 MB of memory in use. ENERGY: 264600 3986.5642 20369.7339 14435.4167 256.0060 -203141.9704 2467.6945 0.0000 0.0000 52048.0790 -109578.4762 299.1210 -161626.5552 -109214.4637 299.6615 -230.1266 -195.2661 762302.1771 7.0187 7.0529 PRESSURE: 264800 -289.167 -44.4813 23.6565 -44.4817 183.86 24.1784 23.6571 24.179 10.3905 GPRESSURE: 264800 -266.964 -29.0715 94.7484 54.7358 166.246 -8.67781 20.4088 37.3026 110.736 PRESSAVG: 264800 -32.621 -49.8056 -29.6566 -49.8055 21.4286 5.00464 -29.6566 5.00463 11.6555 GPRESSAVG: 264800 -32.549 -48.2243 -26.6854 -50.1781 20.1732 1.89989 -32.4399 5.12695 12.4396 TIMING: 264800 CPU: 833.301, 0.00314804/step Wall: 833.301, 0.00314804/step, 4.14072 hours remaining, 231.671875 MB of memory in use. ENERGY: 264800 3922.3820 20522.8269 14457.9168 238.7717 -203285.4789 2530.4900 0.0000 0.0000 52016.0379 -109597.0536 298.9369 -161613.0915 -109245.1057 298.9864 -31.6387 3.3392 759035.9030 0.1543 0.0213 PRESSURE: 265000 -93.4778 119.851 54.6682 119.851 237.093 -56.0291 54.668 -56.0297 -598.166 GPRESSURE: 265000 2.31353 115.058 -1.53267 73.3044 221.243 -69.2314 18.4526 -134.718 -563.8 PRESSAVG: 265000 -28.6494 -56.2026 -16.5347 -56.2025 24.7439 -11.005 -16.5347 -11.0051 32.0502 GPRESSAVG: 265000 -29.4968 -56.0984 -18.5354 -56.9981 26.7461 -9.18088 -15.7293 -12.233 31.1896 TIMING: 265000 CPU: 833.931, 0.00315039/step Wall: 833.931, 0.00315039/step, 4.14363 hours remaining, 231.671875 MB of memory in use. ENERGY: 265000 3972.6427 20511.5236 14450.4192 236.7799 -203044.6025 2343.5927 0.0000 0.0000 51995.8039 -109533.8404 298.8206 -161529.6443 -109174.3773 299.7768 -151.5170 -113.4144 759404.1520 9.3816 9.4797 PRESSURE: 265200 78.7665 -39.5196 -121.212 -39.5196 423.264 102.988 -121.212 102.988 242.177 GPRESSURE: 265200 156.616 -14.8112 -118.579 -60.0991 430.12 -37.7256 -185.315 153.649 243.153 PRESSAVG: 265200 -58.9725 -63.6692 26.149 -63.6692 25.8392 38.6999 26.149 38.7 18.5866 GPRESSAVG: 265200 -58.3316 -63.551 26.4056 -63.8805 23.7373 38.8506 27.205 38.0809 19.5685 TIMING: 265200 CPU: 834.561, 0.00314894/step Wall: 834.561, 0.00314894/step, 4.14155 hours remaining, 231.671875 MB of memory in use. ENERGY: 265200 3967.0429 20531.9912 14345.2209 244.2370 -203370.2744 2671.1298 0.0000 0.0000 52091.9682 -109518.6844 299.3733 -161610.6526 -109154.1821 299.3223 248.0690 276.6297 759862.9322 -4.8489 -5.0086 PRESSURE: 265400 230.936 39.3049 118.927 39.3044 176.546 28.9222 118.927 28.9227 159.821 GPRESSURE: 265400 248.225 12.8038 91.802 52.7697 185.06 126.546 23.0147 -80.1003 197.246 PRESSAVG: 265400 -39.0769 -5.22334 -50.911 -5.22331 23.3729 1.81028 -50.911 1.81026 -3.09981 GPRESSAVG: 265400 -38.3964 -6.76268 -48.2922 -2.80174 24.1626 3.17389 -51.2205 1.25009 -4.3919 TIMING: 265400 CPU: 835.198, 0.00318327/step Wall: 835.198, 0.00318327/step, 4.18653 hours remaining, 231.671875 MB of memory in use. ENERGY: 265400 3965.0588 20581.9157 14387.8749 238.4694 -203496.5882 2632.8066 0.0000 0.0000 52271.4921 -109418.9708 300.4050 -161690.4628 -109056.3488 299.8739 189.1011 210.1773 761642.4120 -6.2680 -6.2086 PRESSURE: 265600 -69.1181 -7.28445 -211.603 -7.28397 -259.486 -180.974 -211.603 -180.974 -98.6122 GPRESSURE: 265600 -128.95 1.62126 -222.944 69.9123 -127.107 -47.7024 -102.583 76.2858 -76.2896 PRESSAVG: 265600 -112.819 -6.95572 1.91688 -6.95572 114.585 43.546 1.91686 43.546 -6.49474 GPRESSAVG: 265600 -113.585 -6.53396 -1.1167 -8.04821 115.644 42.6361 0.726221 44.9521 -6.00492 TIMING: 265600 CPU: 835.833, 0.00317522/step Wall: 835.833, 0.00317522/step, 4.17577 hours remaining, 231.671875 MB of memory in use. ENERGY: 265600 3906.4379 20591.2439 14414.1308 254.9342 -203527.4389 2628.5053 0.0000 0.0000 52168.3690 -109563.8179 299.8123 -161732.1868 -109200.3576 299.5163 -142.4055 -110.7822 760494.2557 -1.5765 -1.3153 PRESSURE: 265800 13.6468 -132.044 154.207 -132.044 218.722 -151.6 154.208 -151.6 44.7871 GPRESSURE: 265800 173.29 -105.385 209.282 -47.5205 174.723 -152.234 141.855 -91.2742 -4.03833 PRESSAVG: 265800 -66.2197 -18.5333 -20.0883 -18.5333 20.5695 24.3725 -20.0882 24.3726 11.7788 GPRESSAVG: 265800 -65.4334 -17.4314 -19.3389 -18.9198 20.487 23.8734 -18.8808 23.9078 11.1772 TIMING: 265800 CPU: 836.46, 0.0031379/step Wall: 836.46, 0.0031379/step, 4.12651 hours remaining, 231.671875 MB of memory in use. ENERGY: 265800 3967.1789 20544.2396 14440.4380 261.6422 -203279.0360 2497.6762 0.0000 0.0000 52142.0219 -109425.8392 299.6609 -161567.8611 -109066.2182 299.7061 92.3853 114.6585 761807.8624 -11.2905 -11.2564 PRESSURE: 266000 120.041 -23.9944 30.5106 -23.9947 -253.651 19.0482 30.5098 19.048 -658.331 GPRESSURE: 266000 43.6785 0.823328 13.2135 -51.7599 -207.014 -15.9599 -12.2906 200.271 -537.957 PRESSAVG: 266000 4.14993 3.67328 -30.3668 3.67333 -17.3972 -27.8146 -30.3667 -27.8147 -2.93756 GPRESSAVG: 266000 2.28139 2.2069 -29.7036 3.75654 -17.2748 -28.559 -30.1748 -25.23 -1.79537 TIMING: 266000 CPU: 837.09, 0.00314978/step Wall: 837.09, 0.00314978/step, 4.14196 hours remaining, 231.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 266000 3961.6718 20533.3580 14456.8074 255.1542 -203227.4175 2279.8388 0.0000 0.0000 52012.2553 -109728.3320 298.9151 -161740.5873 -109363.5569 298.8396 -263.9804 -233.7645 763323.5110 -5.3949 -5.5963 PRESSURE: 266200 -443.583 174.583 38.9414 174.583 -165.398 -42.4244 38.9407 -42.4247 90.4497 GPRESSURE: 266200 -303.059 172.516 90.4799 147.221 -161.425 -61.6368 -71.7178 -159.442 47.376 PRESSAVG: 266200 -45.394 -44.1864 -87.1319 -44.1864 12.1557 4.66266 -87.132 4.66263 7.6103 GPRESSAVG: 266200 -44.7926 -43.826 -87.8523 -43.3049 12.3481 6.26331 -85.4677 2.48159 6.80007 TIMING: 266200 CPU: 837.719, 0.00314175/step Wall: 837.719, 0.00314175/step, 4.13123 hours remaining, 231.671875 MB of memory in use. ENERGY: 266200 3946.9126 20487.9823 14374.4682 247.0432 -203118.5243 2329.9894 0.0000 0.0000 51764.3308 -109967.7979 297.4903 -161732.1287 -109603.0999 298.7958 -172.8435 -139.0358 762559.9674 -8.5427 -8.5481 PRESSURE: 266400 -0.938725 -189.224 -103.825 -189.224 -429.528 -150.214 -103.825 -150.213 82.6626 GPRESSURE: 266400 53.3026 -78.3718 -115.828 -265.913 -396.785 -146.908 -88.9473 -120.508 79.3081 PRESSAVG: 266400 26.6781 27.7398 -16.6616 27.7398 -23.3742 -7.87375 -16.6616 -7.87381 15.1693 GPRESSAVG: 266400 27.2534 28.8374 -15.8434 27.4897 -25.0468 -8.74239 -17.2693 -8.6014 16.4081 TIMING: 266400 CPU: 838.35, 0.00315677/step Wall: 838.35, 0.00315677/step, 4.1508 hours remaining, 231.671875 MB of memory in use. ENERGY: 266400 4040.1275 20437.2216 14522.1279 238.4900 -203112.2778 2161.3771 0.0000 0.0000 51922.6061 -109790.3276 298.3999 -161712.9337 -109422.2205 298.2118 -115.9346 -88.0582 760567.8637 6.1578 6.2049 PRESSURE: 266600 -122.918 204.098 -1.50251 204.098 -386.768 -171.395 -1.50302 -171.396 -157.862 GPRESSURE: 266600 -72.3392 294.164 59.2248 111.862 -323.114 -147.649 -157.532 -23.3503 -168.848 PRESSAVG: 266600 9.86306 13.7604 -8.73739 13.7604 5.34802 37.2821 -8.73742 37.2822 3.05406 GPRESSAVG: 266600 10.7132 12.0581 -10.0032 13.3387 6.2812 37.8141 -10.0055 38.3499 1.48457 TIMING: 266600 CPU: 838.982, 0.00315724/step Wall: 838.982, 0.00315724/step, 4.15125 hours remaining, 231.671875 MB of memory in use. ENERGY: 266600 4083.7047 20530.3336 14455.8808 269.2600 -203620.1499 2437.4622 0.0000 0.0000 51808.5442 -110034.9643 297.7444 -161843.5085 -109681.0235 298.5382 -222.5159 -188.1004 759828.8513 6.0884 6.1597 PRESSURE: 266800 -280.193 7.9428 -34.4947 7.94357 3.80553 31.2384 -34.4945 31.2395 -328.877 GPRESSURE: 266800 -128.101 66.2442 -22.7685 52.9483 -5.76146 67.1075 -61.2985 35.7267 -367.842 PRESSAVG: 266800 13.4607 2.27804 19.6679 2.27804 -39.2047 24.8308 19.6679 24.8308 -20.2386 GPRESSAVG: 266800 12.0636 5.02381 19.9443 1.90738 -40.4671 23.9368 20.6719 24.3019 -17.838 TIMING: 266800 CPU: 839.614, 0.00316189/step Wall: 839.614, 0.00316189/step, 4.15718 hours remaining, 231.671875 MB of memory in use. ENERGY: 266800 3958.6812 20433.1780 14385.4804 233.6970 -203129.5476 2205.5194 0.0000 0.0000 51942.7256 -109970.2661 298.5156 -161912.9917 -109607.0645 298.1848 -201.7549 -167.2348 760280.2901 -15.3275 -15.4138 PRESSURE: 267000 138.56 -120.267 -80.0707 -120.266 133.385 -313.235 -80.0714 -313.233 0.740328 GPRESSURE: 267000 195.489 -66.8223 -35.709 -116.255 228.872 -242.459 -148.817 -307.755 -56.1728 PRESSAVG: 267000 19.569 10.9614 13.4216 10.9614 -14.4929 -17.959 13.4216 -17.959 -6.84458 GPRESSAVG: 267000 20.6384 7.54056 13.4998 13.2877 -14.9415 -18.4732 12.2806 -18.0547 -7.61091 TIMING: 267000 CPU: 840.246, 0.00315914/step Wall: 840.246, 0.00315914/step, 4.15339 hours remaining, 231.671875 MB of memory in use. ENERGY: 267000 3975.1090 20343.7326 14414.8630 239.4193 -203652.3390 2619.3050 0.0000 0.0000 52005.0360 -110054.8741 298.8737 -162059.9101 -109685.5514 298.3972 90.8950 122.7293 760424.1500 -0.5895 -0.6380 PRESSURE: 267200 53.0656 -104.96 -188.888 -104.961 -63.1836 180.826 -188.888 180.827 142.648 GPRESSURE: 267200 69.2711 -90.2079 -246.045 -12.6945 -58.4251 185.073 31.8867 40.5419 185.454 PRESSAVG: 267200 -8.70783 -40.5437 14.3035 -40.5437 1.32383 2.80713 14.3034 2.80713 -24.4489 GPRESSAVG: 267200 -8.94073 -38.8947 14.6714 -43.1969 2.81174 4.80253 16.039 2.70865 -25.7337 TIMING: 267200 CPU: 840.876, 0.00314905/step Wall: 840.876, 0.00314905/step, 4.13995 hours remaining, 231.671875 MB of memory in use. ENERGY: 267200 3983.0838 20442.4972 14497.8717 253.4676 -203397.2909 2537.9828 0.0000 0.0000 52008.2558 -109674.1320 298.8922 -161682.3879 -109320.4763 298.8974 44.1766 65.4332 760518.6198 -10.6110 -10.6209 PRESSURE: 267400 309.042 -9.59878 -139.55 -9.59897 38.3939 -16.4087 -139.55 -16.4091 130.624 GPRESSURE: 267400 365.101 -2.84245 -223.598 -1.0466 63.5597 85.499 -280.746 -98.4472 138.639 PRESSAVG: 267400 -36.5135 -12.1853 -32.1565 -12.1854 9.66402 48.451 -32.1565 48.4509 -10.7101 GPRESSAVG: 267400 -37.5486 -13.7479 -32.3037 -10.8042 9.86838 47.6938 -32.1792 47.7768 -10.3253 TIMING: 267400 CPU: 841.505, 0.00314533/step Wall: 841.505, 0.00314533/step, 4.13488 hours remaining, 231.671875 MB of memory in use. ENERGY: 267400 3907.3729 20480.3792 14436.0249 229.9362 -203349.6356 2614.6355 0.0000 0.0000 51866.5238 -109814.7632 298.0776 -161681.2870 -109461.3123 298.8724 159.3532 189.0999 760861.5448 -12.5198 -12.6685 PRESSURE: 267600 299.061 17.4335 -69.8276 17.4331 174.026 24.5861 -69.8277 24.5864 302.325 GPRESSURE: 267600 366.202 -59.3883 -125.09 133.786 224.503 61.1252 11.6942 104.376 296.139 PRESSAVG: 267600 -14.9969 -57.7358 -19.1428 -57.7359 22.0196 26.7813 -19.1428 26.7813 6.53211 GPRESSAVG: 267600 -13.9582 -55.0667 -20.9335 -57.4472 22.7146 27.0899 -17.5061 26.4832 4.96078 TIMING: 267600 CPU: 842.136, 0.00315547/step Wall: 842.136, 0.00315547/step, 4.14804 hours remaining, 231.671875 MB of memory in use. ENERGY: 267600 3941.3091 20378.1795 14392.5040 256.9473 -203774.4328 2691.6841 0.0000 0.0000 52300.6798 -109813.1291 300.5727 -162113.8089 -109456.1125 298.8133 258.4704 295.6149 759393.2752 4.5183 4.5724 PRESSURE: 267800 -182.979 1.91407 -81.0616 1.91387 -19.6689 -49.363 -81.0609 -49.3652 -46.2754 GPRESSURE: 267800 -171.656 -107.486 -173.562 74.5565 -21.3967 -77.8767 -79.5212 -8.52965 12.7344 PRESSAVG: 267800 55.8924 -26.0992 -53.4081 -26.0992 -47.0538 -50.7653 -53.4081 -50.7653 -4.09029 GPRESSAVG: 267800 56.2904 -25.5745 -52.7243 -27.1947 -48.6961 -51.92 -54.7796 -50.2258 -2.97866 TIMING: 267800 CPU: 842.766, 0.00315061/step Wall: 842.766, 0.00315061/step, 4.14147 hours remaining, 231.671875 MB of memory in use. ENERGY: 267800 4001.9136 20395.1974 14389.7562 259.7263 -203239.6613 2304.6757 0.0000 0.0000 52306.1666 -109582.2254 300.6043 -161888.3920 -109215.4009 299.1994 -82.9744 -60.1059 761602.8417 1.5828 1.5385 PRESSURE: 268000 -143.007 -82.8332 58.7582 -82.8338 339.047 206.561 58.7586 206.561 132.83 GPRESSURE: 268000 -89.4217 -54.6463 83.8519 -97.2914 318.566 208.924 38.7906 223.774 151.394 PRESSAVG: 268000 8.1241 -29.5967 15.848 -29.5967 -25.3699 -6.92987 15.848 -6.92984 17.1184 GPRESSAVG: 268000 7.89703 -29.9693 16.4115 -28.9258 -24.9479 -6.75881 15.3806 -5.39613 17.3946 TIMING: 268000 CPU: 843.393, 0.00313493/step Wall: 843.393, 0.00313493/step, 4.12069 hours remaining, 231.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 268000 3948.4727 20582.8967 14458.3332 257.5487 -203235.6647 2417.1094 0.0000 0.0000 51976.0997 -109595.2043 298.7074 -161571.3040 -109234.5956 299.2553 109.6236 126.8460 761460.4704 -0.0425 0.1146 PRESSURE: 268200 113.935 -39.6288 56.8687 -39.6286 -92.7773 65.476 56.8697 65.4755 292.502 GPRESSURE: 268200 184.458 66.5742 74.1394 34.0927 -43.2188 55.2474 -66.8525 -4.49878 276.584 PRESSAVG: 268200 43.3564 3.11422 -12.1143 3.11426 -32.0936 -23.9679 -12.1143 -23.9678 -4.23547 GPRESSAVG: 268200 42.9067 1.43988 -11.2262 3.98235 -31.5279 -25.3145 -12.3709 -25.4387 -3.87158 TIMING: 268200 CPU: 844.016, 0.0031135/step Wall: 844.016, 0.0031135/step, 4.09235 hours remaining, 231.671875 MB of memory in use. ENERGY: 268200 4027.2606 20429.4678 14375.4205 233.9269 -203705.8605 2817.4226 0.0000 0.0000 52264.1041 -109558.2581 300.3625 -161822.3622 -109192.4091 299.3322 104.5532 139.2745 760290.3198 2.3425 2.5024 LDB: ============= START OF LOAD BALANCING ============== 856.41 LDB: ============== END OF LOAD BALANCING =============== 856.411 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 856.412 LDB: ============= START OF LOAD BALANCING ============== 856.726 LDB: Largest compute 7026 load 0.032888 is 16.8% of average load 0.195644 LDB: Average compute 0.004394 is 2.2% of average load 0.195644 LDB: TIME 856.729 LOAD: AVG 0.195644 MAX 0.213523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.172 MB LDB: TIME 856.73 LOAD: AVG 0.195644 MAX 0.213523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.172 MB LDB: TIME 856.73 LOAD: AVG 0.195644 MAX 0.213523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.172 MB LDB: ============== END OF LOAD BALANCING =============== 856.732 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 856.737 PRESSURE: 268400 -72.1803 -131.25 -108.876 -131.25 88.4756 71.6257 -108.876 71.6253 -315.783 GPRESSURE: 268400 -8.21663 -41.3574 -114.27 -93.9738 61.8285 100.003 17.5681 50.0128 -258.493 PRESSAVG: 268400 -19.9308 -4.12473 2.78282 -4.12465 44.2339 -19.2884 2.78278 -19.2884 -14.296 GPRESSAVG: 268400 -20.3639 -4.31895 1.8742 -3.29603 44.2109 -19.6365 2.88552 -19.8311 -14.1662 TIMING: 268400 CPU: 844.654, 0.00319197/step Wall: 844.654, 0.00319197/step, 4.19531 hours remaining, 232.019531 MB of memory in use. ENERGY: 268400 4039.2343 20598.4648 14388.6586 244.3648 -203241.0416 2468.5299 0.0000 0.0000 52048.0713 -109453.7180 299.1210 -161501.7893 -109093.8475 299.6266 -99.8293 -68.2938 760964.0195 3.3357 3.2269 PRESSURE: 268600 -3.01322 114.689 69.2164 114.69 19.8864 190.415 69.2166 190.415 -155.457 GPRESSURE: 268600 -22.266 195.829 120.585 55.6047 40.1101 202.875 127.467 62.8875 -71.55 PRESSAVG: 268600 4.58434 -34.7533 5.06702 -34.7533 -14.8602 76.2706 5.06702 76.2705 10.5654 GPRESSAVG: 268600 4.83474 -33.5827 4.27371 -36.0384 -13.8434 78.3971 6.62795 76.9454 9.75951 TIMING: 268600 CPU: 845.281, 0.00313664/step Wall: 845.281, 0.00313664/step, 4.12242 hours remaining, 232.222656 MB of memory in use. ENERGY: 268600 4031.4893 20452.3847 14396.7471 258.1640 -203639.9323 2745.7761 0.0000 0.0000 52194.8831 -109560.4881 299.9647 -161755.3713 -109192.8886 299.3842 -46.1947 -17.9020 760758.4088 0.0965 0.2503 PRESSURE: 268800 -106.01 61.9576 45.1594 61.9575 65.845 -95.7378 45.1591 -95.7372 266.677 GPRESSURE: 268800 -139.462 11.4667 39.7565 35.5595 188.076 -71.7077 66.3341 -99.4272 270.695 PRESSAVG: 268800 2.05758 29.9768 -63.4111 29.9769 27.9435 21.5294 -63.4112 21.5293 -3.67845 GPRESSAVG: 268800 2.32672 28.2804 -60.9471 30.8377 27.3921 22.3468 -64.688 18.7374 -3.26233 TIMING: 268800 CPU: 845.91, 0.00314292/step Wall: 845.91, 0.00314292/step, 4.13049 hours remaining, 232.222656 MB of memory in use. ENERGY: 268800 3905.5150 20389.5018 14423.5519 249.1388 -203104.9153 2590.2633 0.0000 0.0000 52056.6704 -109490.2740 299.1704 -161546.9444 -109131.3094 299.1286 75.5040 106.4361 761481.4188 8.7742 8.8188 PRESSURE: 269000 388.003 -34.8921 -31.9604 -34.8931 252 195.854 -31.9607 195.855 217.447 GPRESSURE: 269000 429.399 105.012 12.5123 17.7489 320.848 190.352 1.16898 308.258 191.113 PRESSAVG: 269000 37.4322 36.2701 -9.77549 36.2701 4.32407 25.3598 -9.77541 25.3599 -26.175 GPRESSAVG: 269000 36.6379 37.3931 -9.84135 36.7819 5.80732 24.0137 -9.60964 28.7818 -26.3502 TIMING: 269000 CPU: 846.538, 0.00313898/step Wall: 846.538, 0.00313898/step, 4.12514 hours remaining, 232.222656 MB of memory in use. ENERGY: 269000 4032.7936 20555.0778 14427.3631 248.7025 -203703.5854 2772.0205 0.0000 0.0000 52299.3869 -109368.2410 300.5653 -161667.6279 -109020.3434 299.4737 285.8166 313.7867 758561.2890 5.1938 5.3650 PRESSURE: 269200 77.4848 26.5055 -22.5402 26.5062 -375.33 -155.538 -22.5403 -155.537 -478.239 GPRESSURE: 269200 132.532 23.1559 -106.097 38.276 -351.076 -135.86 110.802 -144.821 -449.143 PRESSAVG: 269200 24.9592 4.07527 -36.2723 4.07524 -38.4842 -28.4962 -36.2723 -28.4962 23.0595 GPRESSAVG: 269200 26.7526 6.69532 -38.1808 1.4557 -40.6097 -27.7256 -35.3007 -27.9821 23.3932 TIMING: 269200 CPU: 847.164, 0.00312964/step Wall: 847.164, 0.00312964/step, 4.11269 hours remaining, 232.222656 MB of memory in use. ENERGY: 269200 3916.6143 20482.4128 14422.0816 233.2768 -202990.6215 2125.5584 0.0000 0.0000 52366.6367 -109444.0410 300.9518 -161810.6777 -109067.9169 300.0426 -258.6946 -222.5620 760194.5199 3.1781 3.1787 PRESSURE: 269400 208.551 -4.98687 -190.753 -4.98687 0.581955 10.5045 -190.754 10.5054 481.877 GPRESSURE: 269400 269.727 47.8116 -259.788 -31.8321 17.3893 -0.912188 -133.15 146.228 509.903 PRESSAVG: 269400 3.55147 26.9802 -53.5754 26.9803 -33.1979 -24.8433 -53.5753 -24.8433 -3.72171 GPRESSAVG: 269400 3.02885 23.164 -51.9631 28.7856 -32.2159 -25.4624 -54.3739 -24.3376 -3.98179 TIMING: 269400 CPU: 847.792, 0.00314053/step Wall: 847.792, 0.00314053/step, 4.12683 hours remaining, 232.222656 MB of memory in use. ENERGY: 269400 3952.3548 20344.0427 14411.5099 256.6972 -203457.1452 2811.4936 0.0000 0.0000 52321.6427 -109359.4043 300.6932 -161681.0470 -109005.4409 299.7838 230.3369 265.6730 760812.5092 -11.1227 -11.0563 PRESSURE: 269600 -27.9367 -19.9681 -79.7398 -19.9674 30.9106 150.782 -79.7391 150.783 -182.175 GPRESSURE: 269600 117.299 -121.26 -27.1106 -47.4081 -38.3362 180.461 -55.804 116.6 -160.178 PRESSAVG: 269600 8.28123 -15.5824 -28.1909 -15.5824 45.1769 4.66679 -28.1908 4.66674 19.1787 GPRESSAVG: 269600 7.68804 -14.065 -28.4318 -14.9968 45.2062 6.60078 -28.0541 3.97009 20.0976 TIMING: 269600 CPU: 848.42, 0.00314373/step Wall: 848.42, 0.00314373/step, 4.13086 hours remaining, 232.222656 MB of memory in use. ENERGY: 269600 3970.1716 20491.8688 14401.5006 246.7246 -202972.3122 2192.0840 0.0000 0.0000 52199.7024 -109470.2602 299.9924 -161669.9626 -109102.5141 299.2783 -59.7338 -27.0716 760844.8096 24.2123 24.3306 PRESSURE: 269800 70.7021 -187.379 172.934 -187.38 238.809 -119.856 172.934 -119.857 122.167 GPRESSURE: 269800 151.897 -133.064 179.581 -167.885 226.714 -117.51 44.3064 -67.649 150.8 PRESSAVG: 269800 40.5732 -35.5531 -84.8748 -35.553 -2.88112 12.4217 -84.8747 12.4218 2.09171 GPRESSAVG: 269800 40.4778 -36.7352 -85.2053 -36.7135 -2.9808 10.893 -85.1117 11.5576 1.73962 TIMING: 269800 CPU: 849.051, 0.00315342/step Wall: 849.051, 0.00315342/step, 4.14342 hours remaining, 232.222656 MB of memory in use. ENERGY: 269800 3885.8233 20559.5902 14346.5097 248.3229 -203019.1081 2368.4174 0.0000 0.0000 52149.7241 -109460.7205 299.7052 -161610.4446 -109095.5346 299.2904 143.8929 176.4702 758505.0214 13.2613 13.0789 PRESSURE: 270000 -133.762 215.481 -155.616 215.481 -315.687 11.9438 -155.615 11.9446 -280.162 GPRESSURE: 270000 -77.9866 7.86872 -55.9685 202.382 -278.968 33.8414 -151.564 -7.44084 -285.182 PRESSAVG: 270000 -22.4678 -31.0498 -38.6199 -31.0497 64.6102 -26.3308 -38.6199 -26.3309 3.81893 GPRESSAVG: 270000 -23.1546 -30.4342 -37.9006 -33.436 65.3144 -26.8005 -38.7432 -25.6415 3.56165 TIMING: 270000 CPU: 849.677, 0.00312744/step Wall: 849.677, 0.00312744/step, 4.10911 hours remaining, 232.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 270000 3988.2394 20398.9576 14378.7086 234.3284 -202775.7715 2108.6436 0.0000 0.0000 52256.7381 -109410.1558 300.3202 -161666.8938 -109037.7678 299.0987 -243.2037 -214.0453 760645.5554 15.3204 15.2405 PRESSURE: 270200 -103.42 -17.1971 136.042 -17.1977 231.182 -130.869 136.042 -130.87 -49.1683 GPRESSURE: 270200 -18.595 -8.63987 82.3646 -30.0475 147.843 -131.948 129.896 -53.7735 28.0152 PRESSAVG: 270200 10.4069 23.3549 -50.4819 23.3548 -12.195 -31.3831 -50.4819 -31.3832 21.213 GPRESSAVG: 270200 11.1825 22.6327 -50.0509 25.3564 -13.2698 -30.7299 -50.5414 -32.132 21.1223 TIMING: 270200 CPU: 850.304, 0.00313758/step Wall: 850.304, 0.00313758/step, 4.12225 hours remaining, 232.222656 MB of memory in use. ENERGY: 270200 4025.7269 20538.7306 14374.5967 233.5850 -203014.4679 2401.6367 0.0000 0.0000 52112.1155 -109328.0764 299.4890 -161440.1920 -108973.4277 299.8808 26.1978 52.4210 761062.1906 6.4750 6.3450 PRESSURE: 270400 -256.409 2.3605 -20.9291 2.36089 -371.038 -315.162 -20.9288 -315.161 -387.31 GPRESSURE: 270400 -221.404 -92.4454 -56.6341 39.0325 -387.455 -303.079 -45.6553 -177.488 -337.01 PRESSAVG: 270400 37.5247 44.6803 -30.5324 44.6803 18.542 7.41257 -30.5325 7.4126 -10.8444 GPRESSAVG: 270400 37.0252 43.9916 -32.5104 45.7482 18.9016 8.50964 -29.3206 7.48993 -10.7396 TIMING: 270400 CPU: 850.932, 0.00313918/step Wall: 850.932, 0.00313918/step, 4.12419 hours remaining, 232.222656 MB of memory in use. ENERGY: 270400 3986.4540 20691.1296 14515.3187 251.8502 -202892.7623 2139.7048 0.0000 0.0000 52228.7929 -109079.5122 300.1596 -161308.3051 -108723.7205 300.2617 -338.2522 -315.2897 762087.9095 15.0741 15.0624 PRESSURE: 270600 -226.011 94.1746 195.11 94.1746 96.2969 36.5267 195.11 36.5276 -286.182 GPRESSURE: 270600 -56.4801 7.49032 140.297 61.1796 -8.09612 48.0208 152.128 20.4055 -262.425 PRESSAVG: 270600 -36.0059 -13.709 -29.5822 -13.7091 2.59054 -59.2714 -29.5822 -59.2714 5.5558 GPRESSAVG: 270600 -34.2915 -12.6271 -27.113 -13.4322 0.718722 -61.0473 -29.4559 -57.7308 6.12494 TIMING: 270600 CPU: 851.561, 0.00314476/step Wall: 851.561, 0.00314475/step, 4.13133 hours remaining, 232.222656 MB of memory in use. ENERGY: 270600 4049.9613 20511.4856 14421.4274 253.6273 -203015.6146 2595.7851 0.0000 0.0000 52353.5618 -108829.7662 300.8766 -161183.3280 -108456.4634 300.6344 -138.6318 -109.0004 762559.9889 -9.2865 -9.1493 PRESSURE: 270800 48.3092 -62.4719 -59.0299 -62.4725 38.1946 123.478 -59.0295 123.478 -274.438 GPRESSURE: 270800 63.1088 -52.9834 -58.219 43.5386 62.0346 133.911 -75.3456 62.2796 -227.398 PRESSAVG: 270800 -28.9317 2.12794 57.6074 2.1279 11.8801 0.693335 57.6075 0.693348 -16.3291 GPRESSAVG: 270800 -30.627 1.9189 56.0158 2.3283 14.1405 1.08633 57.1422 -1.98865 -16.8045 TIMING: 270800 CPU: 852.188, 0.00313762/step Wall: 852.188, 0.00313762/step, 4.12178 hours remaining, 232.222656 MB of memory in use. ENERGY: 270800 4047.4825 20414.5270 14355.0418 247.7235 -203255.9144 2797.2552 0.0000 0.0000 52381.6428 -109012.2417 301.0380 -161393.8844 -108652.5165 300.5790 -62.6449 -34.0849 761482.6629 -11.1269 -11.0970 PRESSURE: 271000 6.81749 13.1208 -208.828 13.1201 -46.2937 -277.121 -208.829 -277.12 624.747 GPRESSURE: 271000 140.123 -92.347 -331.827 56.8153 13.6312 -270.226 -148.171 -235.678 533.597 PRESSAVG: 271000 17.8012 -51.8647 -21.9496 -51.8648 -48.0434 -44.1027 -21.9496 -44.1027 26.1112 GPRESSAVG: 271000 19.0823 -53.0588 -21.5344 -53.7348 -48.0923 -42.9971 -23.6133 -43.2379 25.2806 TIMING: 271000 CPU: 852.818, 0.00314758/step Wall: 852.818, 0.00314758/step, 4.1347 hours remaining, 232.222656 MB of memory in use. ENERGY: 271000 4006.5740 20573.2076 14410.8060 246.8341 -203264.2985 2668.6537 0.0000 0.0000 52407.2468 -108950.9764 301.1852 -161358.2232 -108579.8344 300.2437 195.0903 229.1170 761701.2316 -1.3770 -1.2431 PRESSURE: 271200 -285.533 -88.4487 -76.6859 -88.4485 -198.026 62.343 -76.6849 62.3435 -209.345 GPRESSURE: 271200 -255.573 -74.9269 -130.314 -72.8768 -234.513 95.2523 -116.003 -25.6005 -130.336 PRESSAVG: 271200 -10.0874 13.5143 -12.1382 13.5143 15.0895 6.98551 -12.1382 6.98553 5.96221 GPRESSAVG: 271200 -11.9392 14.1329 -12.1539 14.2229 15.6534 6.54367 -9.98592 7.4412 6.85286 TIMING: 271200 CPU: 853.449, 0.0031555/step Wall: 853.449, 0.0031555/step, 4.14493 hours remaining, 232.222656 MB of memory in use. ENERGY: 271200 4029.2293 20610.9097 14514.0100 246.9589 -202975.2944 2321.7646 0.0000 0.0000 52266.9185 -108985.5035 300.3787 -161252.4220 -108615.8687 300.3577 -230.9681 -206.8071 762351.4362 3.6548 3.5224 PRESSURE: 271400 487.453 -58.9757 -93.6437 -58.9757 132.954 -132.854 -93.6438 -132.854 517.369 GPRESSURE: 271400 476.316 65.1432 -125.149 -0.5066 242.844 -77.5784 -78.3147 -60.4939 520.324 PRESSAVG: 271400 -28.7768 1.37381 -38.5845 1.3738 69.3978 13.0852 -38.5845 13.0852 5.74692 GPRESSAVG: 271400 -28.4197 2.3477 -41.3021 0.938917 68.9115 11.3705 -36.1443 12.4016 6.06651 TIMING: 271400 CPU: 854.08, 0.00315596/step Wall: 854.08, 0.00315596/step, 4.14536 hours remaining, 232.222656 MB of memory in use. ENERGY: 271400 4044.5925 20540.4068 14474.9706 242.1123 -203362.8618 2597.3924 0.0000 0.0000 52400.6207 -109062.7664 301.1471 -161463.3871 -108696.9320 300.5279 379.2589 413.1613 759853.6681 15.4560 15.5194 PRESSURE: 271600 365.233 35.4874 -91.5338 35.4878 -225.712 95.5971 -91.5331 95.5974 123.175 GPRESSURE: 271600 322.271 97.9784 -74.5529 12.0317 -78.86 135.413 -146.101 37.4146 120.869 PRESSAVG: 271600 48.4368 -7.12435 -21.9114 -7.12434 -15.1132 -3.72422 -21.9114 -3.72419 12.8096 GPRESSAVG: 271600 48.6475 -7.44169 -18.1147 -7.12061 -15.8628 -2.03174 -23.4753 -3.01163 12.7612 TIMING: 271600 CPU: 854.708, 0.00313864/step Wall: 854.708, 0.00313864/step, 4.12242 hours remaining, 232.222656 MB of memory in use. ENERGY: 271600 3980.1698 20615.3489 14462.0317 242.4356 -202730.4480 2352.2432 0.0000 0.0000 51947.9734 -109130.2453 298.5457 -161078.2188 -108774.6762 300.1557 87.5655 121.4267 760928.1048 15.3777 15.1819 PRESSURE: 271800 182.266 -35.795 62.2257 -35.7956 472.47 224.775 62.2255 224.775 -294.669 GPRESSURE: 271800 264.904 55.8923 22.7717 -104.199 445.799 190.677 136.809 280.379 -277.706 PRESSAVG: 271800 0.106139 -26.7476 4.94806 -26.7476 -17.283 -27.9833 4.94805 -27.9835 2.15117 GPRESSAVG: 271800 -0.513325 -27.8397 4.62121 -27.4784 -16.2806 -27.7829 3.41703 -27.9474 2.23978 TIMING: 271800 CPU: 855.338, 0.0031513/step Wall: 855.338, 0.0031513/step, 4.13888 hours remaining, 232.222656 MB of memory in use. ENERGY: 271800 3952.8108 20613.3855 14429.2680 265.8377 -202995.5682 2393.7685 0.0000 0.0000 52386.4541 -108954.0437 301.0657 -161340.4977 -108595.9480 300.1478 120.0221 144.3320 761505.4657 -5.0086 -4.8514 PRESSURE: 272000 83.1526 -0.824454 65.974 -0.82381 -156.888 -37.0907 65.9747 -37.0904 -286.889 GPRESSURE: 272000 171.63 40.5543 115.556 -106.639 -190.199 -101.059 60.0661 -57.6628 -248.883 PRESSAVG: 272000 8.52864 29.4285 33.8572 29.4285 7.47739 28.5366 33.8572 28.5367 7.44983 GPRESSAVG: 272000 8.68331 28.4791 34.3231 29.5713 7.50215 28.2911 33.6044 28.4254 6.82061 TIMING: 272000 CPU: 855.97, 0.00315642/step Wall: 855.97, 0.00315642/step, 4.14544 hours remaining, 232.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 272000 4016.3983 20484.1744 14455.5632 257.6421 -202672.0317 2275.5030 0.0000 0.0000 52180.1128 -109002.6379 299.8798 -161182.7507 -108640.4033 300.7012 -120.2081 -89.1507 762780.4780 7.8186 7.6687 PRESSURE: 272200 -57.2111 172.84 7.49721 172.84 -193.132 60.9917 7.49786 60.9914 -344.511 GPRESSURE: 272200 56.1481 271.216 -14.0604 119.381 -159.943 48.2626 -7.34493 -45.7197 -398.282 PRESSAVG: 272200 -76.0725 -17.8865 -39.2543 -17.8865 37.4253 -25.1192 -39.2543 -25.1192 13.6899 GPRESSAVG: 272200 -76.2922 -15.9554 -39.0101 -17.0542 38.0929 -24.8259 -39.4123 -24.0938 13.7477 TIMING: 272200 CPU: 856.596, 0.00313311/step Wall: 856.596, 0.00313311/step, 4.11465 hours remaining, 232.222656 MB of memory in use. ENERGY: 272200 4011.9172 20348.9235 14444.4127 268.3060 -202410.5543 2082.0288 0.0000 0.0000 52057.4211 -109197.5451 299.1747 -161254.9662 -108838.1842 300.0892 -198.2849 -167.3590 763760.6290 -8.3191 -8.1505 LDB: ============= START OF LOAD BALANCING ============== 868.993 LDB: ============== END OF LOAD BALANCING =============== 868.993 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 868.995 LDB: ============= START OF LOAD BALANCING ============== 869.311 LDB: Largest compute 7048 load 0.033551 is 17.1% of average load 0.195751 LDB: Average compute 0.004365 is 2.2% of average load 0.195751 LDB: TIME 869.315 LOAD: AVG 0.195751 MAX 0.212254 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.941 MB LDB: TIME 869.315 LOAD: AVG 0.195751 MAX 0.212254 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.012 MB LDB: TIME 869.316 LOAD: AVG 0.195751 MAX 0.212254 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.012 MB LDB: ============== END OF LOAD BALANCING =============== 869.318 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 869.323 PRESSURE: 272400 97.3787 135.948 28.4434 135.947 -38.1336 -13.2864 28.4439 -13.2857 78.8462 GPRESSURE: 272400 209.616 36.6471 18.8084 82.6845 -45.8988 -60.3441 4.05835 -65.6633 50.3636 PRESSAVG: 272400 -4.63656 21.146 -36.7704 21.1459 -3.46441 -6.05625 -36.7704 -6.05632 -10.4468 GPRESSAVG: 272400 -3.53848 19.7627 -37.4116 22.9221 -4.4451 -5.23911 -35.8637 -8.1198 -10.6625 TIMING: 272400 CPU: 857.24, 0.0032193/step Wall: 857.24, 0.0032193/step, 4.22766 hours remaining, 232.011719 MB of memory in use. ENERGY: 272400 3971.0628 20344.2515 14483.2414 243.6925 -202535.4832 2222.3220 0.0000 0.0000 52160.0481 -109110.8650 299.7645 -161270.9131 -108733.2058 299.9628 46.0304 71.3603 763220.9647 -6.1826 -6.2154 PRESSURE: 272600 33.2489 -258.432 -26.9217 -258.431 -165.197 80.6399 -26.921 80.6397 53.4861 GPRESSURE: 272600 107.628 -147.133 -102.442 -170.602 -131.214 155.592 -94.7254 75.6602 30.6672 PRESSAVG: 272600 1.64502 -20.2596 -26.9562 -20.2595 74.9085 -11.0184 -26.9562 -11.0184 29.8872 GPRESSAVG: 272600 1.71634 -19.5528 -25.6269 -19.8561 75.444 -13.3678 -26.6541 -6.49505 29.3874 TIMING: 272600 CPU: 857.869, 0.00314622/step Wall: 857.869, 0.00314622/step, 4.13152 hours remaining, 232.273438 MB of memory in use. ENERGY: 272600 3978.5857 20515.5278 14414.3596 250.4872 -202835.8783 2242.3075 0.0000 0.0000 52209.5476 -109225.0629 300.0490 -161434.6105 -108867.2445 299.5743 -26.1541 2.3602 759743.5760 35.4802 35.5159 PRESSURE: 272800 152.798 70.635 -116.662 70.6342 -362.992 -100.696 -116.662 -100.696 -222.708 GPRESSURE: 272800 198.026 77.321 -155.721 -27.9116 -354.748 -103.392 -109.717 -55.3503 -200.469 PRESSAVG: 272800 -6.8272 -47.497 -83.4871 -47.4971 -0.870266 16.5193 -83.4872 16.5193 -28.2922 GPRESSAVG: 272800 -6.82042 -48.7486 -86.005 -47.4861 -1.58305 17.9865 -84.0243 13.4126 -27.4487 TIMING: 272800 CPU: 858.501, 0.00315991/step Wall: 858.501, 0.00315991/step, 4.14932 hours remaining, 232.328125 MB of memory in use. ENERGY: 272800 4012.3060 20488.3686 14449.8526 247.7027 -202877.3908 2397.7622 0.0000 0.0000 51991.9745 -109289.4242 298.7986 -161281.3987 -108939.1168 299.9885 -144.3004 -119.0637 761327.9246 -11.9965 -11.9507 PRESSURE: 273000 175.933 57.0816 -92.3686 57.0821 119.799 51.4295 -92.3685 51.4295 -266.235 GPRESSURE: 273000 207.806 -23.2011 -48.8369 -22.4481 188.15 70.9436 -86.0436 118.888 -269.182 PRESSAVG: 273000 -23.0194 -38.9147 -48.491 -38.9147 14.6426 -18.929 -48.491 -18.929 3.21944 GPRESSAVG: 273000 -23.0216 -37.7135 -45.9542 -40.7975 15.0748 -20.6918 -47.9405 -19.0306 2.94677 TIMING: 273000 CPU: 859.131, 0.00314807/step Wall: 859.131, 0.00314807/step, 4.13359 hours remaining, 232.328125 MB of memory in use. ENERGY: 273000 3915.4755 20491.3174 14548.1131 231.0079 -202695.7097 2365.9145 0.0000 0.0000 52134.6304 -109009.2509 299.6184 -161143.8813 -108647.9730 299.3811 9.8325 42.2579 761275.9876 -1.7191 -1.6667 PRESSURE: 273200 294.388 -57.2566 29.1108 -57.2564 148.683 -191.408 29.1107 -191.408 196.049 GPRESSURE: 273200 286.773 -35.9899 50.588 -91.4906 241.548 -128.482 -36.7928 -119.557 214.39 PRESSAVG: 273200 -31.2535 -29.7313 -20.8891 -29.7313 66.2815 19.2002 -20.8891 19.2002 -2.94827 GPRESSAVG: 273200 -30.8749 -28.7679 -22.0051 -29.8836 65.9447 20.3141 -19.1737 20.3447 -3.12249 TIMING: 273200 CPU: 859.76, 0.00314356/step Wall: 859.76, 0.00314356/step, 4.1275 hours remaining, 232.328125 MB of memory in use. ENERGY: 273200 3978.0842 20463.6735 14423.7854 246.5997 -203459.0397 2778.4652 0.0000 0.0000 52534.1042 -109034.3276 301.9142 -161568.4318 -108674.7627 300.0114 213.0403 247.5703 762120.5312 10.6932 10.6491 PRESSURE: 273400 -380.861 -229.684 -257.418 -229.684 132.571 71.4994 -257.418 71.5 -181.393 GPRESSURE: 273400 -271.238 -207.394 -268.701 -177.005 164.905 92.0842 -141.552 50.8826 -251.172 PRESSAVG: 273400 -8.55409 -35.5765 -32.4667 -35.5765 6.001 -31.327 -32.4667 -31.3269 4.264 GPRESSAVG: 273400 -7.73517 -37.9459 -32.3385 -35.173 5.94656 -30.3521 -33.7277 -33.1182 3.69866 TIMING: 273400 CPU: 860.387, 0.00313499/step Wall: 860.387, 0.00313499/step, 4.11606 hours remaining, 232.328125 MB of memory in use. ENERGY: 273400 3987.4427 20471.5383 14490.9757 236.0843 -202927.7332 2427.9609 0.0000 0.0000 52204.9752 -109108.7560 300.0227 -161313.7313 -108745.6736 299.9241 -143.2276 -119.1682 762356.8942 0.5703 0.6367 PRESSURE: 273600 -71.8005 -135.936 -109.768 -135.935 7.17842 -116.026 -109.768 -116.026 216.306 GPRESSURE: 273600 -11.6271 -167.003 -58.0752 -87.6936 44.7856 -46.6476 -89.1507 -172.928 218.824 PRESSAVG: 273600 34.9832 -81.34 17.6054 -81.3399 -29.7315 -8.34088 17.6053 -8.34088 3.26639 GPRESSAVG: 273600 34.6162 -78.2101 18.0933 -81.9216 -30.6225 -9.74488 19.0755 -7.119 4.67506 TIMING: 273600 CPU: 861.019, 0.00315961/step Wall: 861.019, 0.0031596/step, 4.14821 hours remaining, 232.328125 MB of memory in use. ENERGY: 273600 4000.8587 20429.2032 14433.4084 232.4576 -202690.5029 2249.0650 0.0000 0.0000 52182.0764 -109163.4336 299.8911 -161345.5100 -108800.3470 299.7685 50.5613 83.9943 761233.3065 2.8394 2.8896 PRESSURE: 273800 -294.011 6.93 -29.7042 6.92988 -348.908 -104.653 -29.7043 -104.654 37.6478 GPRESSURE: 273800 -324.468 43.5313 -92.67 46.4906 -310.828 -70.4751 -160.806 -94.9787 104.695 PRESSAVG: 273800 -3.20101 3.86811 26.5766 3.86808 1.82874 -1.81656 26.5767 -1.81659 -8.13743 GPRESSAVG: 273800 -4.12875 1.2793 26.3479 5.8797 1.69317 -1.90384 24.2532 -1.02801 -8.05413 TIMING: 273800 CPU: 861.646, 0.00313744/step Wall: 861.646, 0.00313744/step, 4.11894 hours remaining, 232.328125 MB of memory in use. ENERGY: 273800 4085.3752 20416.2308 14445.8043 223.9499 -203087.4419 2473.1613 0.0000 0.0000 52201.5213 -109241.3991 300.0029 -161442.9203 -108874.7845 300.2521 -201.7570 -176.8670 761642.9361 -3.1699 -3.4966 PRESSURE: 274000 -230.008 40.5449 -36.1509 40.5444 180.872 309.493 -36.1514 309.493 -5.02614 GPRESSURE: 274000 -162.013 -44.9284 -26.9476 52.5588 189.826 243.175 -91.0173 252.452 -1.17415 PRESSAVG: 274000 -1.88593 1.52565 -17.201 1.5257 -7.89369 -33.1117 -17.2009 -33.1116 -22.0576 GPRESSAVG: 274000 -1.64129 1.43639 -17.4856 1.73726 -8.09308 -32.6259 -15.6458 -34.017 -22.0553 TIMING: 274000 CPU: 862.273, 0.00313457/step Wall: 862.273, 0.00313457/step, 4.11499 hours remaining, 232.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 274000 4019.6717 20436.8490 14403.2829 232.3676 -203309.2059 2672.0098 0.0000 0.0000 52474.6344 -109070.3904 301.5724 -161545.0248 -108705.3606 300.5391 -18.0538 8.8796 760898.3712 -10.6124 -10.5966 PRESSURE: 274200 112.911 -171.902 0.669546 -171.902 28.0919 185.545 0.670128 185.545 -264.283 GPRESSURE: 274200 164.74 -166.386 31.0314 -49.6027 7.94005 114.605 -86.6871 251.913 -187.418 PRESSAVG: 274200 60.0063 0.324857 18.1322 0.324781 -64.1789 -45.4721 18.1321 -45.4721 12.0202 GPRESSAVG: 274200 58.1964 1.69596 18.1457 -1.36028 -62.8924 -45.8152 15.8539 -44.0672 12.3854 TIMING: 274200 CPU: 862.898, 0.00312694/step Wall: 862.898, 0.00312694/step, 4.1048 hours remaining, 232.312500 MB of memory in use. ENERGY: 274200 4041.3833 20526.1467 14414.3351 235.5853 -203032.9728 2547.7583 0.0000 0.0000 52238.3608 -109029.4032 300.2146 -161267.7640 -108671.8823 300.6754 -41.0933 -4.9127 761668.5741 2.6159 2.5631 PRESSURE: 274400 -387.306 -27.7442 37.9962 -27.7435 -437.091 197.561 37.9965 197.561 -94.3468 GPRESSURE: 274400 -330.131 42.0817 17.5365 -34.2715 -458.641 246.107 172.211 325.521 -22.4133 PRESSAVG: 274400 38.9224 -29.4415 11.4636 -29.4415 -29.6879 -8.92982 11.4637 -8.92978 -18.476 GPRESSAVG: 274400 38.8774 -28.1218 10.7659 -30.9632 -29.4202 -8.4136 11.5535 -8.66287 -18.584 TIMING: 274400 CPU: 863.525, 0.00313234/step Wall: 863.525, 0.00313234/step, 4.11172 hours remaining, 232.328125 MB of memory in use. ENERGY: 274400 4006.5798 20591.4065 14313.2286 242.0701 -202591.4531 1903.3286 0.0000 0.0000 52319.3278 -109215.5117 300.6799 -161534.8395 -108846.4810 300.3104 -306.2480 -270.3952 760669.9066 -3.0805 -3.0423 PRESSURE: 274600 -86.1081 -47.9284 -53.3062 -47.9279 -124.545 99.0485 -53.3053 99.0486 -173.21 GPRESSURE: 274600 -81.9058 -54.4737 -57.9728 -27.7496 -121.281 75.7838 38.6553 79.7672 -93.9686 PRESSAVG: 274600 -72.2385 -12.2038 10.6291 -12.2038 73.3425 2.28801 10.6291 2.288 15.673 GPRESSAVG: 274600 -71.767 -13.5071 12.7697 -11.2409 72.8548 2.50163 11.6301 0.561093 15.3009 TIMING: 274600 CPU: 864.149, 0.00311912/step Wall: 864.149, 0.00311912/step, 4.0942 hours remaining, 232.328125 MB of memory in use. ENERGY: 274600 3945.5999 20609.0879 14324.7253 258.1839 -203191.1697 2323.8807 0.0000 0.0000 52358.1063 -109371.5858 300.9028 -161729.6921 -109001.1264 299.8579 -127.9547 -99.0519 760481.6999 5.5924 5.4629 PRESSURE: 274800 85.3074 47.4109 212.798 47.4111 16.8207 -3.54945 212.798 -3.54911 139.285 GPRESSURE: 274800 1.49031 117.73 181.476 32.4359 156.804 48.1658 179.645 41.6345 150.099 PRESSAVG: 274800 -38.2396 -33.4324 22.6411 -33.4324 63.6154 -71.9003 22.6411 -71.9003 2.15109 GPRESSAVG: 274800 -38.894 -34.6075 21.1773 -33.5261 64.128 -72.9121 21.2662 -71.1523 2.41539 TIMING: 274800 CPU: 864.777, 0.00313993/step Wall: 864.777, 0.00313993/step, 4.12133 hours remaining, 232.328125 MB of memory in use. ENERGY: 274800 4010.8307 20527.8345 14441.6179 240.4526 -202979.8271 2376.1657 0.0000 0.0000 52178.8147 -109204.1110 299.8724 -161382.9257 -108843.8187 300.2399 80.4711 102.7979 760302.5484 9.1757 9.2164 PRESSURE: 275000 -25.7579 -44.995 -65.9225 -44.9951 135.286 86.1788 -65.923 86.1774 -91.4584 GPRESSURE: 275000 154.589 -90.7411 -144.432 0.431166 76.6475 40.7982 -55.7336 57.7278 -114.171 PRESSAVG: 275000 12.7738 -17.9572 14.7012 -17.9573 10.1168 -24.1769 14.7012 -24.177 -18.8859 GPRESSAVG: 275000 14.4689 -19.3934 13.9243 -16.2689 9.18781 -25.0549 15.9638 -26.467 -20.0213 TIMING: 275000 CPU: 865.402, 0.00312577/step Wall: 865.402, 0.00312577/step, 4.10257 hours remaining, 232.328125 MB of memory in use. ENERGY: 275000 3938.0628 20513.6165 14505.5864 249.4790 -202816.6039 2222.6488 0.0000 0.0000 52235.4566 -109151.7538 300.1979 -161387.2104 -108792.5009 299.8301 6.0232 39.0218 761323.0618 1.3349 1.2118 PRESSURE: 275200 223.642 -74.4948 24.2014 -74.4943 -121.05 -69.2033 24.2004 -69.203 178.323 GPRESSURE: 275200 288.126 -136.693 -39.7956 48.4669 -78.4315 -123.741 -78.2147 11.3309 131.103 PRESSAVG: 275200 30.8046 -46.725 -14.9029 -46.725 0.303571 -45.1013 -14.9028 -45.1013 23.3777 GPRESSAVG: 275200 30.6281 -44.0447 -14.8709 -48.3108 -0.792171 -44.4849 -14.9449 -42.3175 24.6787 TIMING: 275200 CPU: 866.029, 0.00313544/step Wall: 866.029, 0.00313544/step, 4.1151 hours remaining, 232.328125 MB of memory in use. ENERGY: 275200 3856.7087 20538.0971 14458.2825 239.8387 -203084.0403 2550.4938 0.0000 0.0000 52221.6881 -109218.9313 300.1188 -161440.6195 -108856.7122 299.9953 93.6381 113.5991 763264.9098 18.1620 18.1716 PRESSURE: 275400 246.333 121.594 42.5324 121.593 411.064 -64.0872 42.5317 -64.0865 587.557 GPRESSURE: 275400 359.755 -57.5723 16.7016 67.8885 393.089 -3.80941 167.868 -85.5774 575.12 PRESSAVG: 275400 4.97641 -35.2425 -14.8298 -35.2425 -18.8411 -8.20347 -14.8297 -8.20344 13.9079 GPRESSAVG: 275400 4.1281 -37.786 -13.6329 -33.2521 -17.8337 -8.8766 -15.6237 -8.74711 13.6306 TIMING: 275400 CPU: 866.655, 0.00313325/step Wall: 866.655, 0.00313325/step, 4.11205 hours remaining, 232.328125 MB of memory in use. ENERGY: 275400 3987.7178 20508.7737 14353.9390 256.7055 -203337.9979 2747.7779 0.0000 0.0000 52008.8047 -109474.2792 298.8953 -161483.0839 -109112.4364 299.4810 414.9848 442.6547 761773.9790 0.0144 -0.0250 PRESSURE: 275600 94.6826 40.6748 154.645 40.6749 214.881 -390.57 154.646 -390.571 339.535 GPRESSURE: 275600 122.146 34.5109 146.645 7.09949 280.276 -420.819 177.872 -220.531 315.713 PRESSAVG: 275600 9.52643 -14.7307 51.7572 -14.7308 4.12316 -10.2727 51.7572 -10.2727 -3.78658 GPRESSAVG: 275600 9.4075 -12.3899 50.3003 -17.1064 4.74248 -9.59196 52.6081 -9.73254 -4.47238 TIMING: 275600 CPU: 867.283, 0.00313684/step Wall: 867.283, 0.00313684/step, 4.11658 hours remaining, 232.335938 MB of memory in use. ENERGY: 275600 3937.7274 20501.3774 14403.7082 235.3878 -203362.1139 2676.4063 0.0000 0.0000 51982.3577 -109625.1491 298.7433 -161607.5067 -109262.0640 299.2025 216.3664 239.3780 760598.3488 3.2877 3.2259 PRESSURE: 275800 141.822 -169.526 230.184 -169.526 -173.799 -119.394 230.184 -119.394 190.117 GPRESSURE: 275800 155.098 -130.506 250.355 -65.8649 -104.654 -150.815 81.6467 -101.099 180.477 PRESSAVG: 275800 21.4355 -51.2388 24.5006 -51.2388 -24.8823 -37.006 24.5005 -37.0061 18.9794 GPRESSAVG: 275800 21.151 -50.9967 25.5849 -50.2133 -25.5941 -37.6696 23.1412 -36.8249 19.5673 TIMING: 275800 CPU: 867.909, 0.00313296/step Wall: 867.909, 0.00313296/step, 4.11131 hours remaining, 232.335938 MB of memory in use. ENERGY: 275800 3902.1567 20453.5149 14351.7264 239.8870 -203522.3311 2665.2899 0.0000 0.0000 52274.8916 -109634.8645 300.4245 -161909.7562 -109263.1138 298.9358 52.7132 76.9737 761447.6869 5.1775 5.0414 PRESSURE: 276000 -411.607 -119.614 -44.1937 -119.614 -34.2845 -51.8057 -44.1931 -51.8054 -142.54 GPRESSURE: 276000 -310.789 -147.543 -16.4989 -248.546 -2.88151 -166.682 -28.3885 -64.2413 -195.66 PRESSAVG: 276000 -27.4361 -19.4913 48.1821 -19.4912 26.6149 3.22935 48.1821 3.22934 1.52706 GPRESSAVG: 276000 -28.2872 -20.3891 48.0124 -20.198 27.1509 3.91741 47.6075 2.02382 1.52333 TIMING: 276000 CPU: 868.534, 0.00312281/step Wall: 868.534, 0.00312281/step, 4.09782 hours remaining, 232.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 276000 4003.1569 20489.4364 14457.8435 260.3252 -203236.3969 2318.1526 0.0000 0.0000 51927.3943 -109780.0880 298.4274 -161707.4823 -109419.5791 299.0899 -196.1436 -169.7769 761606.4240 0.2353 0.1290 PRESSURE: 276200 444.853 -149.131 127.53 -149.131 -234.337 -42.6831 127.53 -42.6849 -332.702 GPRESSURE: 276200 413.002 15.0213 135.116 -166.191 -143.049 -44.5807 191.195 -172.631 -285.637 PRESSAVG: 276200 5.26526 -24.4556 33.5127 -24.4555 -25.4587 13.125 33.5127 13.125 0.692576 GPRESSAVG: 276200 5.13826 -23.3032 33.1877 -23.2764 -25.3692 12.0336 33.3321 14.8644 0.577773 TIMING: 276200 CPU: 869.16, 0.00312965/step Wall: 869.16, 0.00312965/step, 4.10662 hours remaining, 232.335938 MB of memory in use. ENERGY: 276200 3922.1204 20531.5492 14373.0373 235.6745 -203842.3333 2864.8959 0.0000 0.0000 52036.1385 -109878.9176 299.0524 -161915.0561 -109524.6597 298.6418 -40.7285 -5.2280 762067.6623 -6.5003 -6.5511 LDB: ============= START OF LOAD BALANCING ============== 881.558 LDB: ============== END OF LOAD BALANCING =============== 881.559 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 881.56 LDB: ============= START OF LOAD BALANCING ============== 881.877 LDB: Largest compute 7045 load 0.031733 is 16.2% of average load 0.195648 LDB: Average compute 0.004370 is 2.2% of average load 0.195648 LDB: TIME 881.88 LOAD: AVG 0.195648 MAX 0.215314 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.305 MB LDB: TIME 881.88 LOAD: AVG 0.195648 MAX 0.215314 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.418 MB LDB: TIME 881.88 LOAD: AVG 0.195648 MAX 0.215314 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.418 MB LDB: ============== END OF LOAD BALANCING =============== 881.882 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 881.887 PRESSURE: 276400 151.538 44.9827 28.9206 44.9831 128.305 -57.8934 28.921 -57.8945 260.327 GPRESSURE: 276400 190.781 -20.5791 -8.29055 -4.88886 172.824 21.185 -38.9805 -46.4082 266.472 PRESSAVG: 276400 50.4488 -39.7259 6.82168 -39.7259 -46.9894 -14.8194 6.82173 -14.8194 -4.34757 GPRESSAVG: 276400 51.9802 -41.0377 7.15201 -40.7351 -48.6705 -13.8451 8.30741 -18.3359 -4.23153 TIMING: 276400 CPU: 869.805, 0.00322311/step Wall: 869.805, 0.00322311/step, 4.22908 hours remaining, 231.269531 MB of memory in use. ENERGY: 276400 3919.3601 20346.1002 14397.3157 243.6127 -203529.4407 2656.7033 0.0000 0.0000 51895.7993 -110070.5495 298.2459 -161966.3488 -109710.2530 298.2956 180.0564 210.0256 761445.5906 -0.2961 -0.3073 PRESSURE: 276600 -6.22314 -44.7812 7.77511 -44.7814 -368.968 1.5255 7.77494 1.52531 -653.998 GPRESSURE: 276600 69.9568 -135.689 -36.2095 -38.9366 -380.029 -75.3007 132.603 49.5001 -605.69 PRESSAVG: 276600 87.7306 -65.8166 8.09636 -65.8166 -83.2386 -31.2427 8.09635 -31.2427 -29.2615 GPRESSAVG: 276600 86.8038 -64.8684 7.22747 -65.562 -83.5052 -30.4449 8.61335 -30.6793 -28.5163 TIMING: 276600 CPU: 870.433, 0.00314365/step Wall: 870.433, 0.00314365/step, 4.12464 hours remaining, 231.507812 MB of memory in use. ENERGY: 276600 4003.8801 20385.0302 14475.1372 233.1451 -203685.0702 2368.2170 0.0000 0.0000 52087.1643 -110132.4964 299.3456 -162219.6608 -109768.3399 297.9423 -343.0628 -305.2539 761171.0617 -8.2565 -8.4059 PRESSURE: 276800 30.8153 -118.78 -232.209 -118.78 -41.1154 146.144 -232.209 146.144 85.0315 GPRESSURE: 276800 11.0713 -226.783 -181.558 -128.313 15.0881 138.954 -117.072 154.154 131.955 PRESSAVG: 276800 -7.13052 -55.0158 -25.1956 -55.0157 -3.82763 -16.7322 -25.1957 -16.7323 25.0182 GPRESSAVG: 276800 -6.80835 -56.312 -24.1019 -54.2507 -3.03852 -18.257 -27.2565 -15.6068 24.2095 TIMING: 276800 CPU: 871.062, 0.00314595/step Wall: 871.062, 0.00314595/step, 4.12749 hours remaining, 231.507812 MB of memory in use. ENERGY: 276800 3962.7986 20387.4026 14434.8453 248.4269 -203433.8576 2556.2673 0.0000 0.0000 52057.6235 -109786.4933 299.1759 -161844.1168 -109431.2002 298.5410 24.9105 52.7049 760744.5833 4.6867 4.7876 PRESSURE: 277000 -299.633 -63.2163 -143.447 -63.2165 -313.225 -85.7668 -143.447 -85.7663 163.241 GPRESSURE: 277000 -313.989 -57.7345 -128.58 -48.5679 -218.594 12.3398 -142.227 -241.215 172.237 PRESSAVG: 277000 37.4254 -28.6016 6.45861 -28.6016 -4.98183 2.8588 6.45863 2.85872 14.8161 GPRESSAVG: 277000 37.943 -28.004 5.13124 -29.2708 -5.98628 4.37102 7.85995 1.43673 15.434 TIMING: 277000 CPU: 871.689, 0.00313474/step Wall: 871.689, 0.00313474/step, 4.1126 hours remaining, 231.562500 MB of memory in use. ENERGY: 277000 3951.4191 20596.7370 14426.1067 252.0575 -203390.5556 2522.7993 0.0000 0.0000 51924.4087 -109717.0273 298.4103 -161641.4360 -109363.8341 299.1195 -149.8724 -120.1152 760526.9940 15.7532 15.7969 PRESSURE: 277200 44.5491 -21.612 61.5423 -21.6123 85.9817 82.4676 61.5414 82.4668 50.721 GPRESSURE: 277200 133.751 13.5923 40.9697 -4.27719 44.387 75.8119 5.55691 91.9597 90.8988 PRESSAVG: 277200 23.8905 -28.0828 3.89824 -28.0828 12.978 -22.2224 3.89828 -22.2225 7.18294 GPRESSAVG: 277200 24.1775 -28.3006 3.2507 -28.5405 12.4859 -21.9964 3.77753 -20.8236 7.72494 TIMING: 277200 CPU: 872.317, 0.00313671/step Wall: 872.317, 0.00313671/step, 4.11501 hours remaining, 231.562500 MB of memory in use. ENERGY: 277200 3958.9011 20442.0789 14448.4469 243.3159 -203328.3403 2306.2362 0.0000 0.0000 52124.8319 -109804.5293 299.5621 -161929.3612 -109436.0541 298.6036 60.4173 89.6789 760620.9883 14.6838 14.7961 PRESSURE: 277400 -117.826 19.7548 92.6075 19.755 -478.815 114.897 92.6079 114.897 -400.576 GPRESSURE: 277400 -48.3374 48.9405 162.073 -34.053 -451.011 71.1669 33.4874 25.2209 -407.3 PRESSAVG: 277400 62.5621 -51.7077 -24.5104 -51.7077 -84.715 13.2386 -24.5103 13.2386 -1.02437 GPRESSAVG: 277400 61.756 -51.4857 -23.4308 -51.6957 -84.6024 13.2441 -27.4154 13.2736 -0.805092 TIMING: 277400 CPU: 872.945, 0.00314267/step Wall: 872.945, 0.00314267/step, 4.12265 hours remaining, 231.562500 MB of memory in use. ENERGY: 277400 3970.7966 20435.4160 14344.0634 254.8537 -203150.0728 2209.8578 0.0000 0.0000 52189.6253 -109745.4600 299.9345 -161935.0853 -109385.2346 298.8866 -332.4056 -302.2163 760178.6839 -7.7258 -7.8838 PRESSURE: 277600 38.0406 -190.069 12.7418 -190.069 -544.911 289.715 12.7407 289.715 94.1515 GPRESSURE: 277600 -20.1657 -258.223 69.414 -128.71 -327.679 336.614 30.3105 285.422 33.086 PRESSAVG: 277600 29.9207 -32.787 1.62391 -32.7871 -17.698 -9.50351 1.62392 -9.50353 3.08605 GPRESSAVG: 277600 29.9693 -34.0382 0.972653 -31.6133 -18.3784 -8.25439 3.49527 -12.6304 3.73048 TIMING: 277600 CPU: 873.574, 0.00314528/step Wall: 873.574, 0.00314528/step, 4.12591 hours remaining, 231.562500 MB of memory in use. ENERGY: 277600 4054.3590 20319.8161 14495.2453 256.7390 -203065.6065 2263.2372 0.0000 0.0000 51848.4264 -109827.7835 297.9736 -161676.2099 -109465.7326 299.1543 -137.5730 -104.9196 759753.1892 5.1029 5.1071 PRESSURE: 277800 4.85169 -71.921 137.654 -71.9202 -107.155 -73.3217 137.653 -73.3219 65.898 GPRESSURE: 277800 13.5764 65.1622 141.088 -16.8524 -16.2348 -75.2319 26.1534 -147.851 31.1601 PRESSAVG: 277800 30.3444 -40.9469 -14.3483 -40.947 -11.1429 7.94925 -14.3483 7.94931 8.9008 GPRESSAVG: 277800 29.7794 -40.6237 -14.1308 -41.5805 -8.68903 6.80131 -14.3951 9.94615 7.19801 TIMING: 277800 CPU: 874.203, 0.00314566/step Wall: 874.203, 0.00314566/step, 4.12623 hours remaining, 231.562500 MB of memory in use. ENERGY: 277800 3936.9132 20643.6756 14397.3241 250.5942 -203391.2408 2288.5693 0.0000 0.0000 52124.0188 -109750.1458 299.5575 -161874.1645 -109399.9982 298.9052 -12.1350 9.5006 761133.8265 9.3674 9.4295 PRESSURE: 278000 -230.283 -181.861 119.472 -181.86 -186.333 -2.92565 119.472 -2.92558 127.593 GPRESSURE: 278000 -162.616 -105.581 38.9541 -33.5974 -242.806 84.7774 155.571 -1.42081 191.965 PRESSAVG: 278000 38.8752 -37.0667 8.42573 -37.0667 -74.8417 47.2348 8.42566 47.2348 3.01791 GPRESSAVG: 278000 39.1667 -37.8567 8.21624 -36.5294 -76.0599 47.4627 8.54564 48.3158 4.27045 TIMING: 278000 CPU: 874.833, 0.00315002/step Wall: 874.833, 0.00315002/step, 4.13178 hours remaining, 231.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 278000 4088.8971 20516.7575 14425.1741 246.1991 -203731.6175 2911.0806 0.0000 0.0000 51852.6042 -109690.9049 297.9976 -161543.5091 -109334.1773 298.5891 -96.3412 -71.1523 759957.1824 -10.9829 -10.8742 PRESSURE: 278200 -324.846 -177.553 -14.0373 -177.553 -222.414 274.571 -14.0381 274.572 -197.554 GPRESSURE: 278200 -349.934 -56.4534 4.41251 -125.152 -233.067 217.402 2.05103 250.467 -85.7171 PRESSAVG: 278200 35.3092 -67.8335 -19.3542 -67.8334 -40.7031 17.7507 -19.3541 17.7507 -15.7485 GPRESSAVG: 278200 36.8299 -68.1083 -18.1962 -67.9777 -41.6231 17.0266 -17.5597 16.1381 -16.0844 TIMING: 278200 CPU: 875.464, 0.00315203/step Wall: 875.464, 0.00315203/step, 4.13424 hours remaining, 231.562500 MB of memory in use. ENERGY: 278200 4044.1757 20523.9608 14428.7431 264.1846 -203413.3991 2222.4967 0.0000 0.0000 52500.7936 -109429.0446 301.7228 -161929.8382 -109064.8539 299.5325 -248.2713 -222.9059 759609.0995 -7.0475 -6.9592 PRESSURE: 278400 60.9197 -107.872 161.948 -107.873 -20.1528 -20.1411 161.948 -20.1417 133.022 GPRESSURE: 278400 73.483 -75.371 124.565 -79.5161 -30.2013 -25.3787 51.2888 -101.922 232.887 PRESSAVG: 278400 46.179 -50.5653 11.871 -50.5653 -18.6582 -32.4863 11.8709 -32.4862 15.9995 GPRESSAVG: 278400 45.0541 -48.4331 9.92652 -51.9019 -18.1877 -31.7694 10.0128 -31.6085 16.5642 TIMING: 278400 CPU: 876.095, 0.0031548/step Wall: 876.095, 0.0031548/step, 4.13769 hours remaining, 231.597656 MB of memory in use. ENERGY: 278400 3970.2553 20450.0681 14397.0840 257.5813 -203223.0951 2526.8376 0.0000 0.0000 51899.6953 -109721.5734 298.2683 -161621.2687 -109366.1001 299.3762 57.9297 92.0563 759997.1385 14.5068 14.4769 PRESSURE: 278600 269.762 -103.959 -38.7987 -103.959 112.006 102.202 -38.7999 102.202 97.2676 GPRESSURE: 278600 307.8 44.5552 11.1155 -328.843 141.188 95.7053 14.6013 24.2526 132.121 PRESSAVG: 278600 8.79902 -37.0805 -3.39759 -37.0805 23.0821 -34.5603 -3.39752 -34.5603 -2.53686 GPRESSAVG: 278600 9.45549 -39.1072 -1.88188 -36.3984 23.8592 -35.7377 -3.88666 -33.033 -4.22685 TIMING: 278600 CPU: 876.726, 0.00315727/step Wall: 876.726, 0.00315727/step, 4.14076 hours remaining, 231.597656 MB of memory in use. ENERGY: 278600 3977.4341 20524.8310 14366.5028 221.9140 -203670.4636 2794.4217 0.0000 0.0000 52060.9216 -109724.4385 299.1948 -161785.3601 -109362.8443 299.3156 159.6785 193.7032 759920.7974 9.7814 9.6960 PRESSURE: 278800 -302.494 -167.111 84.9118 -167.112 -162.958 -86.523 84.9122 -86.5222 -239.241 GPRESSURE: 278800 -217.522 -174.579 59.0549 -80.7638 -133.407 -5.71178 166.593 5.51473 -259.775 PRESSAVG: 278800 -36.7891 -80.0251 64.8442 -80.0251 40.4119 -13.7274 64.8442 -13.7274 2.88226 GPRESSAVG: 278800 -37.2058 -81.3215 66.099 -79.9852 40.3044 -13.772 65.7 -14.1537 3.27759 TIMING: 278800 CPU: 877.361, 0.00317287/step Wall: 877.361, 0.00317287/step, 4.16104 hours remaining, 231.597656 MB of memory in use. ENERGY: 278800 4004.2754 20492.8028 14423.7848 251.8655 -203536.2354 2327.0681 0.0000 0.0000 52094.0704 -109942.3683 299.3853 -162036.4387 -109576.2414 299.1641 -234.8978 -203.5680 760316.1661 2.1683 2.1254 PRESSURE: 279000 -166.617 58.5904 -51.3133 58.5914 -36.2434 41.432 -51.314 41.4332 226.605 GPRESSURE: 279000 -140.452 14.0202 -15.7098 61.8843 -104.098 -10.0476 -90.158 -10.2461 345.737 PRESSAVG: 279000 -17.4461 -50.9049 29.11 -50.9049 -15.9616 -48.503 29.1099 -48.503 -15.99 GPRESSAVG: 279000 -15.5621 -51.2132 26.4769 -49.7648 -17.8759 -47.4121 30.7253 -47.9915 -15.4135 TIMING: 279000 CPU: 877.99, 0.0031469/step Wall: 877.99, 0.0031469/step, 4.12681 hours remaining, 231.597656 MB of memory in use. ENERGY: 279000 3918.4862 20539.6741 14371.4639 221.8224 -203192.6612 2205.2861 0.0000 0.0000 52057.4049 -109878.5235 299.1746 -161935.9284 -109516.3773 298.9040 7.9147 33.7289 761542.5228 -16.4659 -16.2838 PRESSURE: 279200 -3.67122 -109.523 -27.4282 -109.523 -300.834 -92.1056 -27.4279 -92.1062 191.636 GPRESSURE: 279200 52.4188 -146.389 34.7894 -22.1866 -195.498 -131.632 -166.003 -13.7769 120.981 PRESSAVG: 279200 -9.72787 -66.0552 12.1474 -66.0552 36.7342 -29.7303 12.1475 -29.7303 -14.2486 GPRESSAVG: 279200 -11.2466 -62.9864 12.7645 -67.1367 38.212 -30.7319 10.1445 -32.0304 -14.286 TIMING: 279200 CPU: 878.621, 0.00315276/step Wall: 878.621, 0.00315276/step, 4.13432 hours remaining, 231.597656 MB of memory in use. ENERGY: 279200 3954.6473 20636.6339 14424.6884 257.0137 -203385.4396 2395.5723 0.0000 0.0000 51900.0100 -109816.8740 298.2701 -161716.8841 -109452.4235 298.8948 -37.6232 -7.3661 761440.5067 4.2526 4.2265 PRESSURE: 279400 -42.8197 -312.148 68.635 -312.148 -201.799 2.48652 68.6352 2.48801 -99.0237 GPRESSURE: 279400 -22.4245 -293.524 62.4576 -182.546 -141.815 -20.6588 135.808 32.0004 -93.1403 PRESSAVG: 279400 11.0844 -50.6836 -22.2774 -50.6836 -17.4158 -35.1833 -22.2773 -35.1833 14.0019 GPRESSAVG: 279400 11.2922 -49.5297 -23.7607 -50.7616 -17.0651 -35.3089 -21.6697 -31.1235 13.3229 TIMING: 279400 CPU: 879.249, 0.00314168/step Wall: 879.249, 0.00314168/step, 4.11961 hours remaining, 231.597656 MB of memory in use. ENERGY: 279400 3931.4402 20438.4375 14433.5076 256.8998 -203243.2405 2244.4687 0.0000 0.0000 51896.9727 -110041.5140 298.2526 -161938.4867 -109676.3373 298.5887 -114.5474 -85.7934 760250.0667 2.5569 2.5167 PRESSURE: 279600 -236.405 -174.215 99.3261 -174.216 138.227 -166.86 99.3274 -166.86 -338.726 GPRESSURE: 279600 -225.711 -189.445 194.695 -105.203 104.067 -151.154 -18.762 -295.541 -235.194 PRESSAVG: 279600 12.0114 -72.1227 37.7186 -72.1227 -59.4907 -21.5967 37.7186 -21.5968 3.50709 GPRESSAVG: 279600 11.5826 -75.1024 40.5449 -70.6545 -59.6547 -19.7942 36.7837 -23.9345 3.93136 TIMING: 279600 CPU: 879.878, 0.00314227/step Wall: 879.878, 0.00314227/step, 4.12022 hours remaining, 231.597656 MB of memory in use. ENERGY: 279600 3997.7415 20548.9133 14380.4709 234.8347 -203597.6446 2511.6534 0.0000 0.0000 51967.9022 -109956.1287 298.6602 -161924.0309 -109597.9550 298.5776 -145.6347 -118.9462 761112.1171 -14.6574 -14.7136 PRESSURE: 279800 280.336 -223.859 -232.781 -223.858 -113.835 -224.412 -232.78 -224.411 66.3792 GPRESSURE: 279800 333.954 -235.706 -157.762 -127.442 -68.4579 -169.454 -303.087 -113.846 57.661 PRESSAVG: 279800 38.113 -4.43899 0.485677 -4.43901 -32.3985 -7.33954 0.485694 -7.33949 7.10945 GPRESSAVG: 279800 39.1743 -3.1108 -1.87258 -6.42716 -33.1286 -6.95976 1.01797 -8.07732 6.55898 TIMING: 279800 CPU: 880.507, 0.00314665/step Wall: 880.507, 0.00314665/step, 4.12578 hours remaining, 231.597656 MB of memory in use. ENERGY: 279800 3986.1480 20609.5322 14456.1667 240.3024 -203588.5131 2670.0171 0.0000 0.0000 52017.9660 -109608.3805 298.9480 -161626.3466 -109247.7067 299.0671 77.6267 107.7189 759556.2614 4.2746 4.2016 PRESSURE: 280000 12.8663 -55.1327 -76.291 -55.132 -29.5575 369.544 -76.2915 369.544 254.334 GPRESSURE: 280000 62.6626 -37.4972 -205.895 -4.80673 23.9596 331.603 -36.9188 146.013 214.974 PRESSAVG: 280000 17.758 -45.4087 4.95622 -45.4088 -1.87799 -1.18939 4.95621 -1.18945 -12.1545 GPRESSAVG: 280000 16.6483 -46.9269 5.44468 -46.6414 -0.707484 -3.70138 7.16616 -3.32696 -12.4799 TIMING: 280000 CPU: 881.131, 0.00312241/step Wall: 881.131, 0.00312241/step, 4.09382 hours remaining, 231.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 280000 3985.4300 20546.5014 14571.2495 267.4950 -203865.5529 2536.6980 0.0000 0.0000 52158.9364 -109799.2426 299.7581 -161958.1789 -109431.8027 299.6318 79.2144 100.5320 758406.8618 1.2418 1.1536 PRESSURE: 280200 -34.9043 -6.37667 -132.471 -6.37663 -216.863 -52.9601 -132.471 -52.9607 -178.816 GPRESSURE: 280200 1.24855 -111.219 -100.863 -15.9139 -205.623 36.034 -148.478 -104.719 -140.917 PRESSAVG: 280200 23.3743 -42.1798 -24.363 -42.1797 -35.2585 26.6878 -24.363 26.6878 -9.90491 GPRESSAVG: 280200 23.9255 -43.0908 -25.3176 -39.8112 -37.0694 26.5013 -23.4335 29.6113 -8.9929 TIMING: 280200 CPU: 881.763, 0.00315817/step Wall: 881.763, 0.00315817/step, 4.14053 hours remaining, 231.597656 MB of memory in use. ENERGY: 280200 4016.4246 20535.2312 14500.9292 245.3218 -203426.4573 2385.5428 0.0000 0.0000 51708.1437 -110034.8639 297.1674 -161743.0076 -109687.8248 299.0581 -143.5280 -115.0971 759425.2238 -7.2630 -7.3789 LDB: ============= START OF LOAD BALANCING ============== 894.161 LDB: ============== END OF LOAD BALANCING =============== 894.161 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 894.163 LDB: ============= START OF LOAD BALANCING ============== 894.478 LDB: Largest compute 7026 load 0.033660 is 17.2% of average load 0.195606 LDB: Average compute 0.004372 is 2.2% of average load 0.195606 LDB: TIME 894.482 LOAD: AVG 0.195606 MAX 0.215108 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.477 MB LDB: TIME 894.482 LOAD: AVG 0.195606 MAX 0.215108 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.477 MB LDB: TIME 894.482 LOAD: AVG 0.195606 MAX 0.215108 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.477 MB LDB: ============== END OF LOAD BALANCING =============== 894.485 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 894.49 PRESSURE: 280400 160.694 -63.0259 22.5134 -63.0268 323.185 -246.78 22.5133 -246.778 -47.6348 GPRESSURE: 280400 233.374 46.9631 10.2463 -70.8581 305.366 -277.38 -35.8814 -263.977 -7.84991 PRESSAVG: 280400 61.9252 21.3025 -86.7316 21.3025 -59.6893 11.6029 -86.7316 11.6029 1.02924 GPRESSAVG: 280400 62.8896 20.6476 -84.4507 22.3578 -59.4807 11.1073 -88.5017 11.3748 0.263981 TIMING: 280400 CPU: 882.407, 0.00321994/step Wall: 882.407, 0.00321994/step, 4.22134 hours remaining, 232.796875 MB of memory in use. ENERGY: 280400 3993.2893 20569.3157 14420.5163 232.8125 -204033.4857 2677.8653 0.0000 0.0000 51964.0956 -110175.5910 298.6384 -162139.6866 -109822.6180 298.0275 145.4147 176.9635 760707.2058 1.0884 1.2243 PRESSURE: 280600 338.748 74.9245 -374.699 74.9242 -115.195 -331.969 -374.699 -331.969 229.503 GPRESSURE: 280600 361.901 9.6423 -295.373 99.729 -12.0316 -357.756 -412.014 -315.21 205.679 PRESSAVG: 280600 4.45809 -58.6026 -37.4242 -58.6026 32.2507 -20.8103 -37.4242 -20.8103 4.55217 GPRESSAVG: 280600 4.63403 -57.6835 -38.7707 -59.0696 31.5509 -19.6342 -38.9085 -20.2767 5.36274 TIMING: 280600 CPU: 883.035, 0.00314067/step Wall: 883.035, 0.00314067/step, 4.11724 hours remaining, 233.203125 MB of memory in use. ENERGY: 280600 4018.3378 20432.1745 14361.5263 253.7779 -204113.1087 2845.8419 0.0000 0.0000 51988.7118 -110212.7385 298.7798 -162201.4504 -109856.6870 298.3762 151.0186 185.1828 759813.1602 13.7537 13.8492 PRESSURE: 280800 -274.543 298.984 103.243 298.984 95.4034 197.304 103.241 197.304 -7.56713 GPRESSURE: 280800 -201.74 257.196 141.501 307.988 177.459 192.125 96.6821 35.2809 -92.4957 PRESSAVG: 280800 -13.0687 -12.6507 -41.103 -12.6507 36.8001 23.6917 -41.103 23.6916 -8.52817 GPRESSAVG: 280800 -13.7191 -13.3614 -38.9215 -12.1133 38.2231 23.4265 -41.3569 21.9003 -9.55356 TIMING: 280800 CPU: 883.658, 0.00311601/step Wall: 883.658, 0.00311601/step, 4.08475 hours remaining, 233.257812 MB of memory in use. ENERGY: 280800 3968.8426 20562.8126 14392.4793 265.2500 -203644.8576 2397.7211 0.0000 0.0000 51839.9466 -110217.8055 297.9249 -162057.7521 -109856.5431 298.1869 -62.2356 -38.9256 760366.2847 5.0678 4.9835 PRESSURE: 281000 -209.404 -98.5854 -127.759 -98.5855 -538.542 83.3681 -127.759 83.3681 153.659 GPRESSURE: 281000 -200.328 -13.9072 -135.757 -6.88738 -510.434 225.613 -2.1963 152.226 204.433 PRESSAVG: 281000 -46.6718 -15.573 3.17238 -15.573 4.19159 -4.08908 3.17231 -4.08907 -2.03106 GPRESSAVG: 281000 -46.2081 -15.423 2.52656 -15.76 3.31666 -2.37793 4.57122 -2.5892 -1.6753 TIMING: 281000 CPU: 884.282, 0.00311604/step Wall: 884.282, 0.00311604/step, 4.08461 hours remaining, 233.257812 MB of memory in use. ENERGY: 281000 4007.7588 20433.4294 14333.0182 249.2336 -203605.4226 2391.9648 0.0000 0.0000 51852.1859 -110337.8319 297.9952 -162190.0177 -109975.9573 297.5668 -198.0959 -168.7762 760858.2236 -14.8371 -14.8556 PRESSURE: 281200 297.562 -46.6899 187.636 -46.6894 -321.265 -143.241 187.636 -143.242 -286.506 GPRESSURE: 281200 336 -14.8963 84.1953 -84.5105 -227.227 -93.3207 181.643 -293.367 -326.83 PRESSAVG: 281200 24.0387 -6.39032 34.122 -6.39035 18.1205 42.3415 34.122 42.3415 -10.6197 GPRESSAVG: 281200 23.5322 -4.27382 33.6113 -7.88735 18.3523 40.4969 33.5912 42.4072 -10.0784 TIMING: 281200 CPU: 884.905, 0.00311596/step Wall: 884.905, 0.00311596/step, 4.08433 hours remaining, 233.246094 MB of memory in use. ENERGY: 281200 4043.6435 20445.4189 14445.3775 248.9384 -204112.9518 2600.1249 0.0000 0.0000 51872.6515 -110456.7971 298.1128 -162329.4486 -110095.4629 297.8682 -103.4026 -72.6857 759698.4536 10.5131 10.6021 PRESSURE: 281400 -24.3723 -203.069 143.002 -203.068 -118.395 -10.9905 143.001 -10.9916 -88.5031 GPRESSURE: 281400 -17.0174 -152.359 102.444 -120.137 -66.9906 -22.09 37.8797 42.396 -59.2723 PRESSAVG: 281400 37.6278 -21.2853 -20.2437 -21.2853 -36.2037 -8.47073 -20.2438 -8.47076 8.25785 GPRESSAVG: 281400 37.8262 -21.1361 -20.1695 -21.3523 -36.3164 -8.22031 -20.0365 -8.77873 7.81435 TIMING: 281400 CPU: 885.532, 0.00313416/step Wall: 885.532, 0.00313416/step, 4.10802 hours remaining, 233.257812 MB of memory in use. ENERGY: 281400 3977.2488 20350.3233 14361.6348 251.1847 -204056.9563 2764.5802 0.0000 0.0000 51920.1878 -110431.7967 298.3860 -162351.9844 -110062.6236 297.6875 -77.0901 -47.7601 759167.6935 3.2273 3.1081 PRESSURE: 281600 14.7118 -253.928 -14.4347 -253.928 2.25107 -339.344 -14.434 -339.344 -277.792 GPRESSURE: 281600 62.1 -290.63 22.3757 -301.743 11.1819 -247.533 38.2005 -322.39 -247.857 PRESSAVG: 281600 52.8877 -76.0347 -18.9112 -76.0347 0.705534 69.5609 -18.9113 69.5609 12.3166 GPRESSAVG: 281600 52.9693 -76.0862 -18.349 -77.0205 1.248 70.1098 -19.9171 69.4757 12.4856 TIMING: 281600 CPU: 886.161, 0.00314877/step Wall: 886.161, 0.00314877/step, 4.12699 hours remaining, 233.257812 MB of memory in use. ENERGY: 281600 4068.5866 20569.7081 14405.5934 236.9130 -203679.7567 2429.1086 0.0000 0.0000 51567.7433 -110402.1037 296.3605 -161969.8470 -110048.2333 297.6292 -86.9431 -58.1916 759130.6541 21.9700 22.2343 PRESSURE: 281800 -360.954 263.175 -22.7479 263.175 204.857 -45.4151 -22.7466 -45.4146 -52.6311 GPRESSURE: 281800 -267.32 263.158 -140.436 233.79 173.319 -41.93 -26.3099 12.4348 -19.9641 PRESSAVG: 281800 14.8912 -41.0642 -21.2874 -41.0642 -10.9876 -27.339 -21.2875 -27.339 -20.235 GPRESSAVG: 281800 14.5223 -43.329 -22.2223 -40.4427 -11.022 -28.0465 -19.5329 -28.1602 -19.9828 TIMING: 281800 CPU: 886.792, 0.00315243/step Wall: 886.792, 0.00315243/step, 4.13162 hours remaining, 233.257812 MB of memory in use. ENERGY: 281800 3972.3056 20403.6837 14410.4846 253.2482 -203957.5689 2680.3976 0.0000 0.0000 51956.6308 -110280.8183 298.5955 -162237.4491 -109917.2670 297.9459 -69.5761 -37.9882 758745.8888 -5.4438 -5.4941 PRESSURE: 282000 -16.5847 -113.506 -144.985 -113.506 -310.436 -72.5118 -144.986 -72.5121 -53.2664 GPRESSURE: 282000 -9.70842 49.2511 -100.003 -59.4539 -252.448 -5.35677 -80.6857 -184.029 -31.2058 PRESSAVG: 282000 44.6781 15.7482 -19.0325 15.7482 -35.702 -2.89046 -19.0325 -2.8904 18.3431 GPRESSAVG: 282000 44.6326 17.6669 -19.7881 15.0434 -35.5473 -2.9081 -19.2818 -3.13983 18.3 TIMING: 282000 CPU: 887.419, 0.00313535/step Wall: 887.419, 0.00313535/step, 4.10905 hours remaining, 233.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 282000 4015.2393 20440.9085 14457.3988 240.5594 -203461.5380 2302.4666 0.0000 0.0000 51782.9055 -110222.0598 297.5971 -162004.9654 -109857.2494 298.3480 -126.7622 -97.7875 759014.4750 9.1064 9.1284 PRESSURE: 282200 -214.348 -191.471 -11.8634 -191.47 283.799 130.439 -11.8632 130.438 85.123 GPRESSURE: 282200 -245.725 -17.8245 -103.859 -195.885 360.424 312.861 -166.102 107.817 109.252 PRESSAVG: 282200 -23.7199 -83.0095 4.67175 -83.0094 40.3493 15.6527 4.67179 15.6528 11.1851 GPRESSAVG: 282200 -23.3346 -81.0567 5.70725 -82.8668 41.0648 15.158 2.99629 16.0896 10.3172 TIMING: 282200 CPU: 888.046, 0.00313576/step Wall: 888.046, 0.00313577/step, 4.10942 hours remaining, 233.257812 MB of memory in use. ENERGY: 282200 3977.7749 20639.5678 14405.1865 248.1963 -203645.7339 2555.7401 0.0000 0.0000 51867.4914 -109951.7769 298.0832 -161819.2684 -109590.9979 298.2024 51.5247 74.6504 757991.5903 9.2715 9.3491 PRESSURE: 282400 150.956 2.07652 40.1816 2.077 -124.062 47.2731 40.1819 47.2727 -268.058 GPRESSURE: 282400 189.911 9.96825 -9.54888 13.2686 -127.504 45.7904 78.3384 68.6719 -214.445 PRESSAVG: 282400 -23.1099 -114.388 -5.26205 -114.388 26.1255 -7.75643 -5.26208 -7.75641 -17.1138 GPRESSAVG: 282400 -22.5073 -114.493 -4.56428 -115.687 24.4918 -8.1193 -4.0109 -5.09852 -15.814 TIMING: 282400 CPU: 888.674, 0.00313781/step Wall: 888.674, 0.00313781/step, 4.11192 hours remaining, 233.257812 MB of memory in use. ENERGY: 282400 3969.9585 20332.2901 14357.1668 265.1003 -203034.5304 2192.6019 0.0000 0.0000 51990.2767 -109927.1361 298.7888 -161917.4128 -109566.7276 298.4980 -80.3880 -50.6790 762416.8868 -4.6994 -4.6098 PRESSURE: 282600 -79.9595 -22.8602 -218.428 -22.8599 -323.188 -127.029 -218.428 -127.029 52.3637 GPRESSURE: 282600 -56.8813 45.8035 -254.476 13.8565 -223.688 -71.1543 -239.885 -235.806 31.7635 PRESSAVG: 282600 4.41271 -48.6049 -62.4284 -48.6049 -23.8402 23.4852 -62.4284 23.4852 -21.6271 GPRESSAVG: 282600 4.60326 -50.9899 -63.9186 -45.9474 -23.4003 24.3716 -63.1806 21.3912 -21.9336 TIMING: 282600 CPU: 889.302, 0.00314133/step Wall: 889.302, 0.00314133/step, 4.11636 hours remaining, 233.257812 MB of memory in use. ENERGY: 282600 3983.5471 20625.6819 14408.2881 237.4971 -203425.6364 2497.4094 0.0000 0.0000 51917.4858 -109755.7271 298.3705 -161673.2129 -109406.2253 298.6250 -116.9280 -82.9352 760860.2841 -13.6849 -13.5769 PRESSURE: 282800 -276.079 -70.8713 -54.0146 -70.8713 240.132 274.254 -54.014 274.255 -56.4677 GPRESSURE: 282800 -174.581 -113.113 -58.4826 -87.9896 262.957 222.42 -62.7695 206.594 -72.2474 PRESSAVG: 282800 32.7802 -5.50254 -3.79839 -5.50254 -25.156 -9.3334 -3.79828 -9.33339 27.8155 GPRESSAVG: 282800 32.2924 -7.22705 -3.24956 -4.4696 -23.4167 -9.51674 -2.84031 -9.3426 26.9735 TIMING: 282800 CPU: 889.933, 0.00315333/step Wall: 889.933, 0.00315334/step, 4.13192 hours remaining, 233.257812 MB of memory in use. ENERGY: 282800 4019.8169 20470.9822 14419.0446 238.4746 -203097.7142 2490.1858 0.0000 0.0000 51931.2387 -109527.9715 298.4495 -161459.2101 -109172.2819 298.8987 -30.8049 5.3764 760203.9907 11.8132 11.9498 PRESSURE: 283000 -142.553 -47.252 173.725 -47.2515 -86.0282 0.423417 173.725 0.423579 -0.596328 GPRESSURE: 283000 -80.0277 -41.6573 136.213 -195.335 -36.1368 106.039 94.9888 -22.7916 -35.9112 PRESSAVG: 283000 -17.8107 -26.3899 -35.7817 -26.3899 45.8044 -17.9582 -35.7818 -17.9583 12.8647 GPRESSAVG: 283000 -18.0933 -23.2411 -36.994 -28.8534 45.3378 -16.8211 -34.4681 -16.6637 13.2359 TIMING: 283000 CPU: 890.562, 0.00314769/step Wall: 890.562, 0.00314769/step, 4.12435 hours remaining, 233.257812 MB of memory in use. ENERGY: 283000 4004.4136 20535.9537 14343.4304 234.5368 -203635.9468 2795.3208 0.0000 0.0000 52104.8060 -109617.4856 299.4470 -161722.2916 -109259.4369 299.3081 -76.3925 -50.6919 763162.0596 13.6195 13.4935 PRESSURE: 283200 -37.8722 51.5853 -170.968 51.5847 -137.668 -79.5597 -170.969 -79.5601 -208.049 GPRESSURE: 283200 -88.4375 26.4643 -203.962 171.786 -113.336 -124.727 -95.7989 -107.963 -99.956 PRESSAVG: 283200 6.60531 -9.35231 32.7373 -9.35236 -10.1411 34.3194 32.7372 34.3194 -16.8901 GPRESSAVG: 283200 5.55181 -11.6104 33.7336 -8.48186 -10.8357 32.3188 30.9482 33.6706 -14.8443 TIMING: 283200 CPU: 891.189, 0.00313672/step Wall: 891.189, 0.00313672/step, 4.1098 hours remaining, 233.257812 MB of memory in use. ENERGY: 283200 4042.8990 20327.3192 14445.5067 247.9311 -203533.1637 2488.1291 0.0000 0.0000 52202.7012 -109778.6774 300.0096 -161981.3786 -109408.5510 298.9418 -127.8630 -100.5766 761784.4029 -6.8086 -6.7094 PRESSURE: 283400 -146.434 -135.589 175.232 -135.589 -92.7953 92.66 175.232 92.6608 -53.0636 GPRESSURE: 283400 -120.875 -16.7365 185.178 -123.1 -80.2948 135.101 56.1584 57.7773 -25.4246 PRESSAVG: 283400 18.1439 32.0531 -5.79356 32.0531 3.05395 -21.1317 -5.7936 -21.1316 11.5075 GPRESSAVG: 283400 19.8245 33.6236 -5.94071 33.7072 3.62631 -20.0126 -5.22911 -23.1033 9.66843 TIMING: 283400 CPU: 891.816, 0.00313394/step Wall: 891.816, 0.00313394/step, 4.10598 hours remaining, 233.257812 MB of memory in use. ENERGY: 283400 3991.7476 20544.3489 14455.7312 250.0328 -203058.2836 2179.0967 0.0000 0.0000 51826.3665 -109810.9600 297.8468 -161637.3265 -109457.0585 299.0023 -97.4311 -75.5314 760779.7177 10.9018 11.0398 PRESSURE: 283600 -193.035 45.9706 -33.4188 45.9699 -133.702 20.9522 -33.4195 20.9526 68.5106 GPRESSURE: 283600 -93.4571 -69.4985 -49.8178 -19.763 -117.587 -7.44182 -70.96 61.5621 53.8758 PRESSAVG: 283600 -39.4864 12.054 0.506487 12.054 6.2014 13.2427 0.506415 13.2427 -5.02184 GPRESSAVG: 283600 -40.8469 9.91193 0.441041 12.2816 6.89085 12.2425 0.850718 16.1333 -5.02413 TIMING: 283600 CPU: 892.444, 0.00313826/step Wall: 892.444, 0.00313826/step, 4.11147 hours remaining, 233.257812 MB of memory in use. ENERGY: 283600 4020.6268 20407.8699 14383.5253 251.5498 -203256.0363 2308.7168 0.0000 0.0000 51997.7173 -109886.0304 298.8316 -161883.7477 -109529.9731 298.5731 -86.0756 -52.3895 760622.4100 -12.7689 -12.9934 PRESSURE: 283800 -154.216 -203.369 20.2412 -203.369 -314.46 -169.127 20.2411 -169.127 226.211 GPRESSURE: 283800 -212.761 -187.631 -34.2031 -220.87 -135.159 -158.348 114.904 -129.405 179.648 PRESSAVG: 283800 56.9446 -38.4379 49.4215 -38.4378 -29.3896 -31.3399 49.4215 -31.34 -0.0320944 GPRESSAVG: 283800 57.3588 -38.9054 49.2024 -40.5645 -30.437 -29.0455 49.2542 -33.6862 0.723731 TIMING: 283800 CPU: 893.072, 0.00313962/step Wall: 893.072, 0.00313962/step, 4.11308 hours remaining, 233.257812 MB of memory in use. ENERGY: 283800 3958.8483 20390.7438 14426.6823 242.5876 -203477.7098 2459.2570 0.0000 0.0000 52092.6995 -109906.8913 299.3775 -161999.5908 -109540.4937 298.3427 -80.8217 -56.0908 761809.4880 9.1743 9.2152 PRESSURE: 284000 381.016 53.2068 114.298 53.207 -137.719 55.3282 114.298 55.3276 292.978 GPRESSURE: 284000 304.882 -73.1477 123.212 88.0859 -35.3297 87.6532 -18.6947 42.269 347.892 PRESSAVG: 284000 4.08252 -7.78864 -4.45516 -7.78876 -29.6527 7.50543 -4.45518 7.50548 3.22519 GPRESSAVG: 284000 3.22165 -7.36437 -4.20243 -5.90165 -29.1595 6.43822 -6.40663 9.23199 3.37182 TIMING: 284000 CPU: 893.701, 0.00314718/step Wall: 893.701, 0.00314718/step, 4.12281 hours remaining, 233.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 284000 3939.6350 20423.5296 14421.5884 239.9205 -203559.9429 2815.2267 0.0000 0.0000 51932.0594 -109787.9832 298.4543 -161720.0426 -109427.8867 298.2292 178.7585 205.8148 761416.2856 -7.4483 -7.5220 PRESSURE: 284200 -156.026 -71.2874 -79.0537 -71.2879 -314.275 119.972 -79.0535 119.973 -195.389 GPRESSURE: 284200 -70.9284 96.4257 -70.5973 70.5162 -310.579 37.2681 -41.2662 137.258 -184.429 PRESSAVG: 284200 5.95384 25.3923 -26.776 25.3923 2.95935 -44.5324 -26.7761 -44.5324 10.2722 GPRESSAVG: 284200 5.20653 27.7938 -27.7359 23.487 3.33239 -45.8154 -25.732 -43.7082 10.0588 TIMING: 284200 CPU: 894.331, 0.00314935/step Wall: 894.331, 0.00314935/step, 4.12548 hours remaining, 233.257812 MB of memory in use. ENERGY: 284200 3934.1637 20554.5766 14393.9950 247.5413 -203336.5859 2387.7084 0.0000 0.0000 51976.2370 -109842.3640 298.7081 -161818.6009 -109479.5432 298.3194 -221.8966 -188.6457 762484.6965 6.3951 6.1992 LDB: ============= START OF LOAD BALANCING ============== 906.73 LDB: ============== END OF LOAD BALANCING =============== 906.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 906.732 LDB: ============= START OF LOAD BALANCING ============== 907.05 LDB: Largest compute 7044 load 0.032251 is 16.5% of average load 0.195543 LDB: Average compute 0.004395 is 2.2% of average load 0.195543 LDB: TIME 907.053 LOAD: AVG 0.195543 MAX 0.214033 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.02 MB LDB: TIME 907.053 LOAD: AVG 0.195543 MAX 0.214033 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.02 MB LDB: TIME 907.053 LOAD: AVG 0.195543 MAX 0.214033 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.02 MB LDB: ============== END OF LOAD BALANCING =============== 907.055 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 907.06 PRESSURE: 284400 8.85291 63.0293 181.161 63.0301 -277.818 220.164 181.161 220.164 -229.077 GPRESSURE: 284400 -74.8732 105.047 153.28 110.98 -174.168 288.322 105.866 -9.04444 -151.349 PRESSAVG: 284400 23.6009 -3.97444 -12.5563 -3.97435 -23.2084 11.1748 -12.5563 11.1748 5.48454 GPRESSAVG: 284400 25.2307 -3.51609 -12.3486 -3.96812 -24.4686 11.6728 -13.1735 10.3089 4.96522 TIMING: 284400 CPU: 894.977, 0.00323186/step Wall: 894.977, 0.00323186/step, 4.23338 hours remaining, 233.062500 MB of memory in use. ENERGY: 284400 4051.4750 20414.1766 14421.3369 236.9871 -203340.9166 2515.2670 0.0000 0.0000 51875.1516 -109826.5224 298.1272 -161701.6740 -109465.1614 299.0485 -166.0141 -133.4635 761113.8007 1.9590 1.9091 PRESSURE: 284600 -159.043 -65.1295 71.7136 -65.131 -231.93 -96.3509 71.7128 -96.3496 -271.594 GPRESSURE: 284600 -99.339 -151.256 81.3425 -103.999 -178.194 -211.432 167.137 -54.1013 -295.809 PRESSAVG: 284600 38.9952 -4.79622 -15.1551 -4.79621 -61.3528 -0.571645 -15.1551 -0.571779 -3.56686 GPRESSAVG: 284600 37.6273 -7.41698 -16.0417 -3.93996 -60.8854 -0.0428643 -12.7643 -0.696498 -2.99215 TIMING: 284600 CPU: 895.609, 0.00315713/step Wall: 895.609, 0.00315713/step, 4.13532 hours remaining, 233.300781 MB of memory in use. ENERGY: 284600 3932.0969 20652.1321 14368.6817 232.2030 -202773.7340 1959.2030 0.0000 0.0000 51842.0855 -109787.3318 297.9372 -161629.4174 -109421.3743 299.0679 -220.8560 -191.1139 761867.5098 -8.6415 -8.7501 PRESSURE: 284800 -582.304 -20.3155 -361.721 -20.3154 -376.1 -78.5756 -361.721 -78.5751 -255.787 GPRESSURE: 284800 -564.484 47.5709 -295.935 -44.8872 -337.093 -63.1933 -318.191 -28.3002 -214.126 PRESSAVG: 284800 65.4191 -10.5887 -23.2679 -10.5887 -45.8499 -30.4597 -23.2678 -30.4599 -7.9774 GPRESSAVG: 284800 66.3444 -9.02304 -21.0417 -9.94912 -46.9042 -30.9769 -21.8746 -30.1246 -8.03271 TIMING: 284800 CPU: 896.239, 0.00315119/step Wall: 896.239, 0.00315118/step, 4.12735 hours remaining, 233.558594 MB of memory in use. ENERGY: 284800 3988.4292 20609.2143 14495.9936 256.6778 -203103.9341 2131.7930 0.0000 0.0000 51798.9330 -109822.8933 297.6892 -161621.8262 -109453.7072 299.2870 -404.7300 -371.9008 763364.8075 3.8640 3.8025 PRESSURE: 285000 -6.23533 -241.171 200.807 -241.17 -90.7888 -156.026 200.807 -156.027 -296.235 GPRESSURE: 285000 54.8791 -224.977 232.127 -151.123 -75.7124 -148.959 244.002 -45.0024 -290.792 PRESSAVG: 285000 -10.9458 38.9922 62.078 38.9922 6.54813 -23.4436 62.0779 -23.4437 13.4049 GPRESSAVG: 285000 -10.858 37.4129 61.344 38.3564 6.0429 -22.6937 60.4903 -24.9694 13.6608 TIMING: 285000 CPU: 896.867, 0.00313886/step Wall: 896.867, 0.00313886/step, 4.11104 hours remaining, 233.558594 MB of memory in use. ENERGY: 285000 3959.9732 20537.9827 14352.9702 245.8010 -203666.2229 2718.8317 0.0000 0.0000 51995.2033 -109855.4609 298.8171 -161850.6642 -109497.2910 299.2712 -131.0865 -103.8751 761062.9226 3.0024 2.9486 PRESSURE: 285200 -153.687 86.5763 -278.83 86.5761 -84.4367 4.24656 -278.829 4.24537 310.34 GPRESSURE: 285200 -105.529 114.638 -227.312 99.5603 -2.29433 33.4802 -276.417 -58.1898 302.504 PRESSAVG: 285200 15.809 -68.3825 26.4263 -68.3825 -3.99368 10.2816 26.4263 10.2816 -13.3157 GPRESSAVG: 285200 15.0629 -66.6876 26.8251 -69.3648 -3.20676 8.94242 25.9415 10.2101 -12.8154 TIMING: 285200 CPU: 897.492, 0.0031241/step Wall: 897.492, 0.0031241/step, 4.09154 hours remaining, 233.558594 MB of memory in use. ENERGY: 285200 4065.6931 20502.5698 14448.9083 236.5117 -203538.6336 2495.9332 0.0000 0.0000 51840.5473 -109948.4701 297.9283 -161789.0174 -109594.0780 298.5704 24.0722 64.8936 761395.2084 -0.5001 -0.3197 PRESSURE: 285400 1.1784 -149.651 101.15 -149.651 367.743 2.22703 101.151 2.22552 127.97 GPRESSURE: 285400 91.4908 -81.6541 171.84 -41.4519 378.851 -15.6733 19.4848 31.7151 108.641 PRESSAVG: 285400 27.738 10.9923 -35.0149 10.9924 10.5231 -25.598 -35.015 -25.598 19.0508 GPRESSAVG: 285400 28.2572 11.9166 -33.8855 11.1051 10.7715 -26.1297 -34.4894 -24.4847 17.3789 TIMING: 285400 CPU: 898.12, 0.00314057/step Wall: 898.12, 0.00314057/step, 4.11293 hours remaining, 233.625000 MB of memory in use. ENERGY: 285400 3996.0035 20525.1926 14418.3064 251.0378 -203825.5163 2853.9900 0.0000 0.0000 52019.9782 -109761.0080 298.9595 -161780.9861 -109388.0898 299.1886 165.6304 192.9944 760761.5525 19.1040 18.8026 PRESSURE: 285600 -143.487 -215.335 -161.203 -215.336 122.277 50.7868 -161.203 50.7868 252.997 GPRESSURE: 285600 -16.7712 -198.864 -262.536 -239.671 84.6409 -27.5647 -27.6523 163.686 222.099 PRESSAVG: 285600 8.42216 6.31815 -76.1463 6.31816 56.2935 -7.72163 -76.1464 -7.72168 -8.16856 GPRESSAVG: 285600 9.05617 6.22245 -78.4082 6.5081 55.2549 -7.09585 -76.7045 -5.0994 -7.62947 TIMING: 285600 CPU: 898.754, 0.00316833/step Wall: 898.754, 0.00316833/step, 4.14911 hours remaining, 233.625000 MB of memory in use. ENERGY: 285600 4014.7661 20623.6595 14351.0019 263.7776 -203342.4135 2502.8363 0.0000 0.0000 51868.6389 -109717.7331 298.0898 -161586.3721 -109358.1278 299.1734 77.2623 96.6563 761170.7572 18.8490 18.8939 PRESSURE: 285800 131.93 78.7622 323.479 78.7617 -218.305 216.586 323.48 216.586 136.035 GPRESSURE: 285800 204.754 96.3735 311.009 122.486 -183.666 212.817 159.308 182.443 105.064 PRESSAVG: 285800 2.43544 -51.8313 -51.285 -51.8313 23.987 -3.95109 -51.285 -3.95107 -9.2523 GPRESSAVG: 285800 1.09129 -53.2194 -50.8168 -51.7841 24.9414 -3.27214 -50.2449 -6.78359 -8.15886 TIMING: 285800 CPU: 899.382, 0.00314383/step Wall: 899.382, 0.00314383/step, 4.11685 hours remaining, 233.625000 MB of memory in use. ENERGY: 285800 3983.6972 20572.0861 14341.3470 237.8479 -203936.2444 2937.5742 0.0000 0.0000 51899.5125 -109964.1794 298.2672 -161863.6919 -109612.8732 298.9864 16.5531 42.0508 760654.0149 5.7234 5.9579 PRESSURE: 286000 -121.567 -1.76754 -283.198 -1.76822 -100.002 -30.3189 -283.198 -30.3191 84.0192 GPRESSURE: 286000 4.25521 79.9699 -199.306 13.5819 -111.002 -118.484 -285.102 -104.651 70.4239 PRESSAVG: 286000 3.72433 -5.79731 27.7357 -5.79737 -40.5159 -46.883 27.7357 -46.8831 -3.81482 GPRESSAVG: 286000 4.68666 -5.38105 30.058 -4.79702 -40.4553 -46.7703 26.9571 -47.7984 -4.59675 TIMING: 286000 CPU: 900.011, 0.0031438/step Wall: 900.011, 0.0031438/step, 4.11663 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 286000 4000.7586 20368.4040 14414.0328 243.4414 -203803.0059 2758.6883 0.0000 0.0000 52054.3418 -109963.3390 299.1570 -162017.6808 -109596.8961 298.7554 -45.8497 -12.1075 761068.8545 -13.5355 -13.4551 PRESSURE: 286200 79.7441 83.5444 -73.6272 83.5434 54.9702 121.683 -73.6265 121.683 230.452 GPRESSURE: 286200 99.744 40.3576 -15.3909 151.219 155.971 148.196 -74.2813 168.088 233.412 PRESSAVG: 286200 37.119 33.7477 13.0445 33.7477 -8.26121 -45.1593 13.0446 -45.1594 9.42424 GPRESSAVG: 286200 37.4082 34.2316 11.5225 33.5423 -8.40022 -45.118 13.3226 -43.9082 9.45492 TIMING: 286200 CPU: 900.637, 0.00312929/step Wall: 900.637, 0.00312929/step, 4.09746 hours remaining, 233.695312 MB of memory in use. ENERGY: 286200 3868.9408 20503.6539 14427.0567 250.3751 -203488.5910 2722.3886 0.0000 0.0000 51937.3912 -109778.7847 298.4849 -161716.1759 -109421.6883 298.6918 121.7220 163.0423 762121.2059 12.7607 12.8210 PRESSURE: 286400 127.343 -103.504 217.594 -103.504 -129.158 95.4142 217.595 95.4155 -62.8804 GPRESSURE: 286400 65.5762 -126.046 189.918 -69.2288 -2.49899 124.333 98.5492 189.123 -31.2015 PRESSAVG: 286400 -16.7959 11.2698 -0.867715 11.2699 2.70125 19.9328 -0.867725 19.9328 8.15191 GPRESSAVG: 286400 -18.2792 10.2571 -1.82409 12.3861 2.48756 18.4782 -0.959776 22.5274 9.26916 TIMING: 286400 CPU: 901.268, 0.00315303/step Wall: 901.268, 0.00315303/step, 4.12837 hours remaining, 233.695312 MB of memory in use. ENERGY: 286400 4056.5939 20365.3234 14419.9545 245.2539 -203682.1420 2883.8719 0.0000 0.0000 51790.6783 -109920.4661 297.6417 -161711.1444 -109569.2444 299.2425 -21.5653 10.6252 761405.5994 -1.9809 -2.1742 PRESSURE: 286600 -39.0735 -3.89681 114.565 -3.89788 -77.7862 108.129 114.565 108.129 -131.889 GPRESSURE: 286600 -7.31117 48.5114 59.3439 68.3157 -56.1811 2.53776 91.6452 57.1339 -97.4456 PRESSAVG: 286600 43.2747 -47.2423 -32.0988 -47.2422 -18.1604 59.7246 -32.0988 59.7246 3.69309 GPRESSAVG: 286600 43.9807 -44.6112 -32.7013 -49.0026 -17.9526 60.9041 -32.2193 57.412 2.94218 TIMING: 286600 CPU: 901.893, 0.0031261/step Wall: 901.893, 0.0031261/step, 4.09293 hours remaining, 233.695312 MB of memory in use. ENERGY: 286600 4011.5251 20501.6095 14444.4165 250.7355 -203497.3578 2476.4996 0.0000 0.0000 51792.2432 -110020.3283 297.6507 -161812.5715 -109661.5915 298.2960 -82.9163 -53.6460 759608.3380 9.6025 9.6568 PRESSURE: 286800 278.48 -251.035 -49.618 -251.034 -96.0377 180.315 -49.618 180.316 -423.67 GPRESSURE: 286800 204.259 -287.026 -93.8214 -224.852 -49.833 161.686 -138.455 90.3212 -330.163 PRESSAVG: 286800 27.3715 -47.366 -15.1989 -47.366 -46.2476 -31.5971 -15.1989 -31.5972 11.1978 GPRESSAVG: 286800 27.1826 -48.7902 -14.3917 -45.3245 -45.8556 -31.0378 -17.6909 -31.5495 11.095 TIMING: 286800 CPU: 902.52, 0.00313575/step Wall: 902.52, 0.00313575/step, 4.10539 hours remaining, 233.695312 MB of memory in use. ENERGY: 286800 3999.5171 20539.7883 14401.1106 227.6389 -203280.6711 2419.9916 0.0000 0.0000 51894.2118 -109798.4128 298.2367 -161692.6246 -109438.0869 298.4391 -80.4091 -58.5792 761708.1559 -2.5594 -2.5260 PRESSURE: 287000 -39.4785 -153.573 107.993 -153.573 74.2919 121.792 107.993 121.792 162.967 GPRESSURE: 287000 68.0038 -143.348 148.123 -279.566 41.7878 137.218 31.0102 105.088 167.707 PRESSAVG: 287000 71.3027 -78.5577 -21.4108 -78.5577 -75.2827 18.8882 -21.4108 18.8882 1.83281 GPRESSAVG: 287000 72.8415 -78.9682 -20.1866 -80.8285 -76.8569 19.2384 -22.0417 18.311 1.89592 TIMING: 287000 CPU: 903.145, 0.00312545/step Wall: 903.145, 0.00312545/step, 4.09174 hours remaining, 233.695312 MB of memory in use. ENERGY: 287000 3940.8417 20553.6512 14490.2709 252.4204 -203368.5432 2501.4448 0.0000 0.0000 51940.8180 -109689.0962 298.5046 -161629.9142 -109328.9802 299.1704 65.9269 92.4995 761614.0301 -0.7157 -0.7065 PRESSURE: 287200 -357.477 -171.7 -90.4688 -171.7 -369.717 -46.0977 -90.4693 -46.0984 -398.955 GPRESSURE: 287200 -355.02 -144.909 -40.5589 -163.928 -313.496 -172.906 -143.114 35.8749 -353.694 PRESSAVG: 287200 45.1805 -7.20128 29.3401 -7.2013 -46.1938 -32.8297 29.3401 -32.8297 -10.4329 GPRESSAVG: 287200 43.3728 -5.98725 28.0844 -6.50717 -44.8149 -34.4887 33.1614 -32.8769 -10.0886 TIMING: 287200 CPU: 903.773, 0.00314115/step Wall: 903.773, 0.00314115/step, 4.11211 hours remaining, 233.695312 MB of memory in use. ENERGY: 287200 3992.4244 20468.2411 14388.6333 257.2611 -203299.2826 2316.9102 0.0000 0.0000 51957.1781 -109918.6343 298.5986 -161875.8125 -109558.8156 299.1170 -375.3830 -340.7366 761090.0468 -3.8154 -3.8435 PRESSURE: 287400 78.9983 -130.938 90.4344 -130.939 -215.406 -21.7284 90.4346 -21.7279 -563.434 GPRESSURE: 287400 90.5107 -72.7388 49.2486 -127.358 -203.995 -3.89372 -15.8881 96.9097 -489.293 PRESSAVG: 287400 52.728 -72.2192 -6.28043 -72.2192 -71.8361 -40.9995 -6.28039 -40.9996 5.37999 GPRESSAVG: 287400 53.8973 -72.5864 -6.47156 -70.7876 -72.6821 -42.0363 -4.84284 -39.9843 5.15562 TIMING: 287400 CPU: 904.406, 0.00316525/step Wall: 904.406, 0.00316525/step, 4.14349 hours remaining, 233.695312 MB of memory in use. ENERGY: 287400 4009.8080 20485.3922 14457.5266 228.8120 -203238.9914 2094.4159 0.0000 0.0000 51970.3712 -109992.6654 298.6744 -161963.0366 -109636.4550 298.7219 -233.2807 -200.9258 759070.9800 -4.5760 -4.5431 PRESSURE: 287600 133.244 -216.916 6.00331 -216.915 -0.334233 199.09 6.00331 199.09 162.322 GPRESSURE: 287600 153.204 -241.278 123.488 -152.913 73.0104 235.968 -38.5082 42.2895 174.477 PRESSAVG: 287600 -17.5326 -75.3212 46.4319 -75.3211 14.9251 -52.3641 46.4319 -52.3641 -1.46642 GPRESSAVG: 287600 -17.7059 -76.234 46.2794 -73.805 15.6154 -50.0538 42.3727 -53.7392 -1.77392 TIMING: 287600 CPU: 905.038, 0.00316093/step Wall: 905.038, 0.00316093/step, 4.13766 hours remaining, 233.695312 MB of memory in use. ENERGY: 287600 3956.2531 20429.3018 14336.7844 231.2491 -202943.2809 2116.8426 0.0000 0.0000 52068.7470 -109804.1030 299.2398 -161872.8500 -109439.1895 298.4889 98.4105 133.5635 760942.2935 -1.3580 -1.2881 PRESSURE: 287800 151.393 -153.63 -34.8448 -153.629 -29.6069 -122.325 -34.8451 -122.325 40.2282 GPRESSURE: 287800 148.793 -115.22 -30.444 -185.061 -4.16154 -82.283 -43.1761 -189.608 104.723 PRESSAVG: 287800 -41.6441 -91.6639 -34.1168 -91.6638 24.0908 -43.2381 -34.1168 -43.2381 1.55665 GPRESSAVG: 287800 -40.6834 -90.7414 -33.9223 -93.257 23.114 -44.5678 -32.1356 -42.2779 1.48924 TIMING: 287800 CPU: 905.666, 0.00313955/step Wall: 905.666, 0.00313955/step, 4.10949 hours remaining, 233.695312 MB of memory in use. ENERGY: 287800 3980.3923 20453.2853 14392.3626 251.3446 -203382.6677 2497.2647 0.0000 0.0000 52127.0304 -109680.9878 299.5748 -161808.0182 -109323.1428 298.9141 54.0048 83.1182 760955.6903 -5.3322 -5.3600 PRESSURE: 288000 -193.781 -152.454 -60.7752 -152.454 -434.3 186.495 -60.7756 186.495 12.7155 GPRESSURE: 288000 -174.076 -68.4173 -62.0373 -220.975 -376.269 164.382 -76.2493 120.496 9.47849 PRESSAVG: 288000 -15.0597 -101.549 -17.5516 -101.549 -34.3781 -6.16073 -17.5515 -6.16078 -14.9531 GPRESSAVG: 288000 -15.495 -102.742 -17.4294 -102.887 -33.4898 -4.72122 -18.3037 -4.8127 -15.0248 TIMING: 288000 CPU: 906.295, 0.00314414/step Wall: 906.295, 0.00314414/step, 4.11534 hours remaining, 233.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 288000 3997.7570 20656.6576 14481.2285 266.6655 -203197.9691 2406.3380 0.0000 0.0000 52021.4718 -109367.8507 298.9681 -161389.3225 -109011.1341 299.5247 -205.1218 -180.2889 762252.9724 -21.4636 -21.3365 PRESSURE: 288200 351.063 -20.3611 -108.888 -20.361 178.369 -98.305 -108.888 -98.3042 22.9972 GPRESSURE: 288200 380.415 -12.3329 -122.013 56.9637 153.683 -90.9394 31.5434 -147.863 107.063 PRESSAVG: 288200 -18.3385 -33.6897 -36.9596 -33.6897 7.32702 13.5567 -36.9597 13.5566 14.2739 GPRESSAVG: 288200 -17.5114 -30.6958 -36.1604 -32.7814 6.81114 13.7657 -36.2535 12.0453 14.0539 TIMING: 288200 CPU: 906.925, 0.00314728/step Wall: 906.925, 0.00314728/step, 4.11926 hours remaining, 233.679688 MB of memory in use. ENERGY: 288200 4038.0803 20470.8263 14456.7220 221.3313 -203564.1640 2668.7165 0.0000 0.0000 52354.8010 -109353.6866 300.8838 -161708.4876 -108982.6615 299.8902 184.1431 213.7204 760314.9413 1.0875 1.1179 LDB: ============= START OF LOAD BALANCING ============== 919.326 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 919.326 LDB: =============== DONE WITH MIGRATION ================ 919.327 LDB: ============= START OF LOAD BALANCING ============== 919.643 LDB: Largest compute 7026 load 0.032043 is 16.4% of average load 0.195427 LDB: Average compute 0.004392 is 2.2% of average load 0.195427 LDB: TIME 919.646 LOAD: AVG 0.195427 MAX 0.217648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 230.832 MB LDB: TIME 919.647 LOAD: AVG 0.195427 MAX 0.217648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.832 MB LDB: TIME 919.647 LOAD: AVG 0.195427 MAX 0.217648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.832 MB LDB: ============== END OF LOAD BALANCING =============== 919.649 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 919.654 PRESSURE: 288400 -2.94791 -100.877 288.686 -100.878 -203.49 -53.0867 288.686 -53.0861 50.8962 GPRESSURE: 288400 57.0022 -130.942 414.383 -164.623 -175.176 14.43 168.874 -151.765 30.6973 PRESSAVG: 288400 -29.8664 -45.3881 12.2811 -45.3881 -8.20638 -39.4457 12.2811 -39.4457 27.4833 GPRESSAVG: 288400 -30.386 -47.7807 11.9486 -44.8622 -8.47708 -40.9197 11.8566 -39.4533 27.8095 TIMING: 288400 CPU: 907.571, 0.00323148/step Wall: 907.571, 0.00323148/step, 4.22929 hours remaining, 232.589844 MB of memory in use. ENERGY: 288400 4077.2456 20667.7258 14414.9307 241.4230 -203031.6327 2332.9752 0.0000 0.0000 51735.2574 -109562.0750 297.3232 -161297.3324 -109210.2453 299.6736 -51.8471 -29.1589 760832.9736 -3.5298 -3.6845 PRESSURE: 288600 201.885 -87.5661 171.736 -87.5665 1.09575 26.5536 171.735 26.5533 102.554 GPRESSURE: 288600 122.589 -127.7 161.748 -68.4701 171.443 17.6984 104.733 -58.0515 106.165 PRESSAVG: 288600 -14.206 -85.1356 -7.54891 -85.1355 -7.39028 -52.451 -7.54882 -52.451 2.22284 GPRESSAVG: 288600 -15.5898 -86.0512 -7.44299 -85.0598 -6.19283 -54.1449 -8.88793 -50.8376 2.38691 TIMING: 288600 CPU: 908.198, 0.00313754/step Wall: 908.198, 0.00313754/step, 4.10616 hours remaining, 232.828125 MB of memory in use. ENERGY: 288600 3939.9287 20579.1313 14424.8235 264.0589 -203501.8654 2709.5812 0.0000 0.0000 52171.1632 -109413.1787 299.8284 -161584.3419 -109036.7868 299.5497 101.8451 133.3992 759890.4487 -6.4578 -6.4652 PRESSURE: 288800 -222.784 -24.5743 -17.1662 -24.5743 314.007 -218.423 -17.1663 -218.423 -113.918 GPRESSURE: 288800 -174.85 -69.1944 31.2993 -80.3497 332.43 -220.328 -67.1075 -221.861 -99.5496 PRESSAVG: 288800 6.09678 -20.2153 -42.7243 -20.2153 -24.1348 -43.9335 -42.7243 -43.9334 -13.2645 GPRESSAVG: 288800 7.41196 -18.1425 -43.2037 -22.3241 -25.3554 -42.2475 -42.1515 -46.0152 -13.5965 TIMING: 288800 CPU: 908.828, 0.00314785/step Wall: 908.828, 0.00314785/step, 4.11948 hours remaining, 232.953125 MB of memory in use. ENERGY: 288800 3946.4715 20632.7880 14435.6886 259.2882 -203166.0014 2399.8428 0.0000 0.0000 52198.1446 -109293.7776 299.9835 -161491.9222 -108925.3939 300.5372 -7.5649 19.3435 760887.1028 -10.4342 -10.5133 PRESSURE: 289000 -262.051 158.766 -224.954 158.767 -272.107 11.926 -224.954 11.927 -349.027 GPRESSURE: 289000 -248.283 234.205 -236.227 193.675 -250.609 99.2045 -149.141 -123.185 -300.138 PRESSAVG: 289000 0.533989 -30.4438 -6.23282 -30.4438 -25.5554 -13.561 -6.23281 -13.5611 0.726013 GPRESSAVG: 289000 0.170354 -30.9751 -6.86162 -29.262 -24.6103 -12.1228 -4.26533 -13.3291 0.503763 TIMING: 289000 CPU: 909.461, 0.00316443/step Wall: 909.461, 0.00316443/step, 4.141 hours remaining, 232.953125 MB of memory in use. ENERGY: 289000 3997.4404 20401.0642 14424.8882 233.6800 -202879.4705 2163.3786 0.0000 0.0000 52083.9869 -109575.0322 299.3274 -161659.0191 -109209.3988 299.6208 -294.3949 -266.3431 761011.1921 -8.0985 -7.9787 PRESSURE: 289200 380.647 -265.785 -68.3365 -265.785 38.2128 173.804 -68.3369 173.805 -11.2933 GPRESSURE: 289200 453.466 -255.429 -101.744 -239.141 72.3962 135.381 -51.7937 166.64 -31.6615 PRESSAVG: 289200 40.2985 -41.137 -44.3399 -41.1371 -54.9575 50.8513 -44.3399 50.8513 -0.608228 GPRESSAVG: 289200 41.4057 -42.4073 -44.5209 -40.5567 -56.1513 48.3305 -43.3286 52.695 -0.309429 TIMING: 289200 CPU: 910.092, 0.00315656/step Wall: 910.092, 0.00315656/step, 4.13054 hours remaining, 232.953125 MB of memory in use. ENERGY: 289200 4056.2101 20626.3708 14318.7844 242.7640 -203400.5150 2438.4917 0.0000 0.0000 52180.9374 -109536.9566 299.8846 -161717.8940 -109168.5081 299.2124 135.8555 164.7335 759400.7322 -5.0891 -5.0183 PRESSURE: 289400 -2.84441 163.303 -81.6716 163.301 -250.642 -118.889 -81.6707 -118.888 175.165 GPRESSURE: 289400 -8.3811 165.794 -105.556 239.843 -194.466 -103.501 -118.071 -33.657 186.32 PRESSAVG: 289400 106.409 -30.2616 12.0294 -30.2616 -99.4506 6.73786 12.0295 6.73787 -6.93851 GPRESSAVG: 289400 106.464 -26.3827 12.437 -30.5238 -98.6749 8.17885 11.4379 4.75991 -7.62658 TIMING: 289400 CPU: 910.72, 0.00314123/step Wall: 910.72, 0.00314123/step, 4.1103 hours remaining, 232.953125 MB of memory in use. ENERGY: 289400 4001.8734 20495.1706 14407.2825 232.4713 -203729.4217 2702.6883 0.0000 0.0000 52486.1183 -109403.8173 301.6384 -161889.9356 -109029.1501 300.3904 -26.1071 -5.5090 760119.9871 0.0065 0.0541 PRESSURE: 289600 -55.4162 94.876 -287.732 94.8761 -262.205 -181.829 -287.731 -181.83 108.687 GPRESSURE: 289600 -19.5271 108.312 -274.636 32.6154 -203.748 -278.021 -193.118 -24.5863 92.5553 PRESSAVG: 289600 56.5537 -53.6557 -18.266 -53.6557 -29.6843 -37.3773 -18.266 -37.3773 -19.0646 GPRESSAVG: 289600 54.7 -55.1018 -18.927 -54.8648 -28.8429 -37.7042 -20.2745 -36.6057 -18.4637 TIMING: 289600 CPU: 911.352, 0.00315777/step Wall: 911.352, 0.00315777/step, 4.13177 hours remaining, 232.953125 MB of memory in use. ENERGY: 289600 4092.9962 20632.6376 14418.5073 254.7485 -203257.7832 2332.5434 0.0000 0.0000 52174.8879 -109351.4624 299.8498 -161526.3503 -108988.6030 300.5648 -69.6448 -43.5733 760183.5226 2.6016 2.4645 PRESSURE: 289800 434.842 142.744 -124.544 142.745 -11.0681 71.6454 -124.543 71.6463 456.81 GPRESSURE: 289800 392.111 51.7827 -215.127 201.289 99.7614 71.4917 -224.63 6.30686 501.83 PRESSAVG: 289800 30.3617 -21.9371 -29.708 -21.937 -16.3581 38.3848 -29.7079 38.3848 -8.97303 GPRESSAVG: 289800 31.1019 -22.6696 -29.8197 -21.6814 -16.7209 36.4823 -29.0627 40.053 -9.1046 TIMING: 289800 CPU: 911.981, 0.00314625/step Wall: 911.981, 0.00314625/step, 4.11652 hours remaining, 232.953125 MB of memory in use. ENERGY: 289800 3932.7224 20609.7073 14512.7372 240.2306 -203554.2937 2485.4935 0.0000 0.0000 52275.6020 -109497.8006 300.4286 -161773.4027 -109127.4457 300.0715 293.5280 331.2343 758641.4996 1.6769 1.7588 PRESSURE: 290000 -213.593 -98.7216 121.28 -98.7215 -45.6037 132.484 121.281 132.484 74.4818 GPRESSURE: 290000 -311.873 -64.1171 37.1243 -85.4972 121.866 175.928 83.6164 145.842 90.9904 PRESSAVG: 290000 15.0488 -35.1613 -57.0244 -35.1612 -17.3516 28.2555 -57.0244 28.2555 -9.22099 GPRESSAVG: 290000 15.1855 -35.5062 -57.2453 -33.9497 -17.1128 31.412 -56.8188 27.5497 -10.1447 TIMING: 290000 CPU: 912.61, 0.00314611/step Wall: 912.61, 0.00314611/step, 4.11616 hours remaining, 232.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 290000 3989.7387 20428.2825 14419.3349 241.0828 -203098.4570 2211.3935 0.0000 0.0000 52284.7355 -109523.8891 300.4811 -161808.6246 -109148.3219 299.6361 -61.5716 -33.0053 760711.0064 -3.8412 -4.0240 PRESSURE: 290200 34.0053 21.4157 -87.0844 21.4153 -96.4882 315.276 -87.0843 315.277 -114.532 GPRESSURE: 290200 128.946 -22.6587 -181.015 0.0572401 -92.6923 315.592 -202.075 262.888 -119.572 PRESSAVG: 290200 31.1888 -61.0666 -9.91308 -61.0666 9.19117 -3.12051 -9.91307 -3.12048 9.96339 GPRESSAVG: 290200 31.0862 -60.5816 -7.84486 -63.8937 10.4016 -5.3887 -12.5603 -3.49847 9.48351 TIMING: 290200 CPU: 913.238, 0.00313746/step Wall: 913.238, 0.00313746/step, 4.10467 hours remaining, 232.953125 MB of memory in use. ENERGY: 290200 4056.4409 20576.6039 14411.4993 259.1921 -203264.8627 2199.5802 0.0000 0.0000 52205.2233 -109556.3230 300.0241 -161761.5462 -109183.8146 299.7368 -59.0048 -27.7727 759240.5989 16.7811 16.9904 PRESSURE: 290400 -27.2197 -43.1119 94.7713 -43.1129 -135.775 -33.431 94.7719 -33.4313 -8.60165 GPRESSURE: 290400 -97.4255 -14.3547 118.364 -32.2982 -17.7977 -68.3316 99.2136 -93.457 25.0407 PRESSAVG: 290400 15.2537 10.7535 -53.2722 10.7535 -29.8157 5.77166 -53.2722 5.77165 7.22091 GPRESSAVG: 290400 15.2903 8.6841 -53.836 12.9575 -31.3632 7.14628 -50.6971 3.90212 9.15754 TIMING: 290400 CPU: 913.87, 0.00316064/step Wall: 913.87, 0.00316064/step, 4.13482 hours remaining, 232.953125 MB of memory in use. ENERGY: 290400 3974.3756 20615.3334 14434.1481 254.7427 -203242.0301 2310.9558 0.0000 0.0000 52312.7476 -109339.7269 300.6421 -161652.4745 -108974.1882 299.7529 -57.1989 -30.0609 759224.4205 -2.4470 -2.3051 PRESSURE: 290600 -135.892 -146.386 130.428 -146.387 -8.28487 -353.345 130.429 -353.345 -276.807 GPRESSURE: 290600 -99.0159 -253.052 136.477 -209.487 23.0089 -210.001 49.8951 -246.241 -254.87 PRESSAVG: 290600 7.3809 -2.27338 18.7406 -2.27342 -17.6974 -27.1986 18.7406 -27.1986 -10.4069 GPRESSAVG: 290600 7.15555 -0.394538 19.0719 -3.22408 -17.6306 -28.234 19.686 -25.2313 -10.445 TIMING: 290600 CPU: 914.497, 0.0031346/step Wall: 914.497, 0.0031346/step, 4.10058 hours remaining, 232.953125 MB of memory in use. ENERGY: 290600 3995.1636 20562.9528 14428.0204 242.9356 -203631.1950 2590.2309 0.0000 0.0000 52406.2420 -109405.6496 301.1794 -161811.8917 -109032.4089 300.0727 -140.3280 -110.2923 758214.6299 -6.9078 -6.9734 PRESSURE: 290800 -252.283 -324.533 -54.9803 -324.533 -9.49733 79.4745 -54.9807 79.4741 536.595 GPRESSURE: 290800 -90.6348 -205.188 -71.3167 -188.508 -13.1822 129.567 8.41527 136.126 469.595 PRESSAVG: 290800 47.6651 -34.4579 28.3456 -34.4579 -5.8301 -2.92461 28.3456 -2.92455 6.39034 GPRESSAVG: 290800 46.3085 -34.1034 26.7166 -34.572 -4.53564 -0.42535 29.3052 -3.35116 6.04091 TIMING: 290800 CPU: 915.124, 0.0031358/step Wall: 915.124, 0.0031358/step, 4.10197 hours remaining, 232.953125 MB of memory in use. ENERGY: 290800 4070.8458 20623.6743 14435.0986 238.0642 -203214.0906 2333.9464 0.0000 0.0000 52019.8845 -109492.5767 298.9590 -161512.4612 -109123.0767 300.1075 91.6050 121.9260 757862.0502 16.0751 15.9379 PRESSURE: 291000 -216.911 158.341 -21.8609 158.341 -166.578 -121.818 -21.8607 -121.818 64.2672 GPRESSURE: 291000 -165.83 52.9088 -26.3385 162.132 -99.3133 -222.845 0.688662 24.7912 42.1911 PRESSAVG: 291000 -35.2364 30.606 -32.5245 30.6061 34.8479 36.214 -32.5246 36.214 -8.57622 GPRESSAVG: 291000 -34.2201 29.5104 -32.2169 29.5013 33.3862 33.8699 -35.1936 35.7318 -8.04689 TIMING: 291000 CPU: 915.752, 0.0031381/step Wall: 915.752, 0.0031381/step, 4.10481 hours remaining, 232.953125 MB of memory in use. ENERGY: 291000 3962.6377 20492.0067 14310.3582 247.1994 -202988.8624 2152.0032 0.0000 0.0000 52402.5799 -109422.0773 301.1583 -161824.6572 -109051.3696 299.8953 -106.4073 -74.3174 759038.7719 -2.9882 -2.9603 PRESSURE: 291200 -14.3193 -21.988 -57.7905 -21.9887 -23.7059 -182.194 -57.791 -182.195 -34.1662 GPRESSURE: 291200 37.4515 -52.3351 -110.987 -52.9204 49.9644 -156.975 73.9918 -149.468 -71.1394 PRESSAVG: 291200 -0.336621 -44.4964 10.6679 -44.4963 43.148 51.8621 10.6679 51.8622 1.9482 GPRESSAVG: 291200 -1.58701 -44.5583 10.1495 -43.8545 44.7584 52.0644 12.1014 53.3245 0.9594 TIMING: 291200 CPU: 916.381, 0.00314681/step Wall: 916.381, 0.00314681/step, 4.11603 hours remaining, 232.953125 MB of memory in use. ENERGY: 291200 3989.4741 20646.1637 14333.0333 255.5537 -203240.7392 2416.2523 0.0000 0.0000 52343.6072 -109256.6549 300.8194 -161600.2620 -108896.4063 300.6945 -24.0638 5.4255 759623.7896 14.9199 14.7103 PRESSURE: 291400 -250.945 66.0308 128.615 66.0307 28.8519 195.118 128.614 195.117 226.354 GPRESSURE: 291400 -168.612 22.8062 61.0938 85.1481 6.41913 184.4 113.467 175.613 249.839 PRESSAVG: 291400 8.00872 -41.3553 -59.9077 -41.3552 -7.03019 -20.4097 -59.9078 -20.4097 22.4818 GPRESSAVG: 291400 9.97296 -40.2861 -58.8456 -42.9439 -9.65793 -20.3229 -59.3333 -19.5875 23.057 TIMING: 291400 CPU: 917.011, 0.0031471/step Wall: 917.011, 0.0031471/step, 4.11624 hours remaining, 232.953125 MB of memory in use. ENERGY: 291400 4092.8285 20717.9026 14351.3767 236.5907 -203261.2949 2253.2009 0.0000 0.0000 52311.4743 -109297.9212 300.6348 -161609.3955 -108920.5569 300.5690 1.4202 29.2153 759772.7291 7.8201 7.7907 PRESSURE: 291600 218.533 -7.52952 -295.903 -7.53019 -290.237 54.3849 -295.903 54.3855 119.412 GPRESSURE: 291600 221.843 -42.8169 -229.344 97.0796 -274.791 85.1637 -275.047 159.651 195.365 PRESSAVG: 291600 36.2316 -2.3738 -11.5352 -2.37382 -5.96343 -53.1868 -11.5352 -53.1868 5.02278 GPRESSAVG: 291600 36.538 -2.88317 -11.375 -1.15808 -6.15876 -52.4946 -11.3782 -55.3723 5.03108 TIMING: 291600 CPU: 917.637, 0.00313354/step Wall: 917.637, 0.00313354/step, 4.09833 hours remaining, 232.953125 MB of memory in use. ENERGY: 291600 3976.5330 20668.9373 14407.5571 261.8079 -203399.2301 2429.5554 0.0000 0.0000 52266.0662 -109388.7732 300.3738 -161654.8395 -109025.4444 300.4783 15.9026 47.4724 758420.3161 11.7636 11.8034 PRESSURE: 291800 -263.068 202.686 -38.0237 202.686 -578.94 410.408 -38.0235 410.409 -103.031 GPRESSURE: 291800 -273.235 78.4809 -32.5368 135.109 -491.45 428.046 11.2687 257.762 -80.1896 PRESSAVG: 291800 1.09285 7.63353 -43.2803 7.63354 -2.20498 23.5717 -43.2803 23.5717 -28.1524 GPRESSAVG: 291800 -0.705206 6.91598 -42.6191 8.37087 -0.182272 23.0742 -42.6586 25.2375 -28.4265 TIMING: 291800 CPU: 918.265, 0.00313794/step Wall: 918.265, 0.00313794/step, 4.10391 hours remaining, 232.953125 MB of memory in use. ENERGY: 291800 4030.5707 20549.2804 14422.1665 248.8471 -203307.2861 2503.1067 0.0000 0.0000 52202.7228 -109350.5918 300.0098 -161553.3145 -108986.9967 300.3740 -315.0131 -281.6247 761138.5499 -9.7548 -9.7713 PRESSURE: 292000 213.593 -52.5079 184.29 -52.5075 -53.5279 0.584608 184.291 0.584812 -192.658 GPRESSURE: 292000 231.833 -48.6369 104.185 -186.506 -62.182 34.1757 100.177 -21.4156 -100.511 PRESSAVG: 292000 -17.0129 -40.5635 -21.5452 -40.5633 -9.69131 57.693 -21.5452 57.6931 -11.6384 GPRESSAVG: 292000 -15.5806 -40.5526 -21.3611 -40.2799 -11.3871 56.0877 -23.7394 58.9675 -11.1609 TIMING: 292000 CPU: 918.893, 0.00314259/step Wall: 918.893, 0.00314259/step, 4.1098 hours remaining, 232.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 292000 3991.7331 20632.1345 14444.1729 245.4013 -203606.1782 2543.8082 0.0000 0.0000 52446.4017 -109302.5264 301.4102 -161748.9281 -108934.5344 300.1779 -10.8643 23.0468 760435.6991 -12.7809 -12.7096 PRESSURE: 292200 -62.3528 1.30497 54.7666 1.30512 -263.738 -11.114 54.7678 -11.1138 -73.7375 GPRESSURE: 292200 -52.0876 42.5303 -38.1376 113.778 -208.262 14.6268 30.8432 -168.953 -50.8974 PRESSAVG: 292200 -4.10372 -64.7928 -6.5114 -64.7928 -17.1375 2.97548 -6.5114 2.97547 10.6004 GPRESSAVG: 292200 -4.60764 -65.7739 -8.28294 -63.1094 -15.5189 5.19442 -7.00285 1.22162 10.0989 TIMING: 292200 CPU: 919.525, 0.00315875/step Wall: 919.525, 0.00315875/step, 4.13077 hours remaining, 232.953125 MB of memory in use. ENERGY: 292200 4009.2171 20619.4473 14411.5636 262.4215 -203045.4752 2128.7223 0.0000 0.0000 52306.5143 -109307.5892 300.6063 -161614.1034 -108945.8772 300.4354 -133.2762 -103.7491 761062.7019 -3.5469 -3.3426 LDB: ============= START OF LOAD BALANCING ============== 931.923 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 931.923 LDB: =============== DONE WITH MIGRATION ================ 931.925 LDB: ============= START OF LOAD BALANCING ============== 932.241 LDB: Largest compute 7026 load 0.032784 is 16.8% of average load 0.195649 LDB: Average compute 0.004377 is 2.2% of average load 0.195649 LDB: TIME 932.245 LOAD: AVG 0.195649 MAX 0.214363 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.277 MB LDB: TIME 932.245 LOAD: AVG 0.195649 MAX 0.214363 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.48 MB LDB: TIME 932.245 LOAD: AVG 0.195649 MAX 0.214363 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 932.247 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 932.252 PRESSURE: 292400 87.5707 -383.031 -70.0716 -383.031 -9.63439 -213.665 -70.0722 -213.666 -28.5999 GPRESSURE: 292400 27.683 -237.04 -53.1745 -267.781 20.7425 -172.585 -37.7872 -130.467 52.7876 PRESSAVG: 292400 -0.636892 -56.9575 26.7168 -56.9576 -32.9107 -51.9895 26.7168 -51.9894 22.5567 GPRESSAVG: 292400 -1.42195 -54.1459 27.0449 -56.6378 -31.6422 -52.9388 25.5253 -50.5493 22.2634 TIMING: 292400 CPU: 920.17, 0.00322202/step Wall: 920.17, 0.00322202/step, 4.21333 hours remaining, 233.300781 MB of memory in use. ENERGY: 292400 3996.9253 20467.3638 14431.7876 260.2078 -203356.4408 2454.5102 0.0000 0.0000 52338.0933 -109407.5526 300.7877 -161745.6459 -109039.5911 300.1781 16.4455 33.7377 760609.4829 -3.6636 -3.6002 PRESSURE: 292600 -135.594 -74.6072 216.03 -74.6072 -152.252 180.676 216.029 180.676 395.837 GPRESSURE: 292600 -129.621 -56.5636 217.271 33.7917 -158.012 250.795 181.532 55.2917 478.406 PRESSAVG: 292600 -17.4741 -39.4577 27.9568 -39.4578 16.6591 -38.8387 27.9568 -38.8386 32.3913 GPRESSAVG: 292600 -15.7247 -39.0823 28.6675 -40.2363 14.511 -37.6144 30.869 -40.9823 33.002 TIMING: 292600 CPU: 920.8, 0.00315128/step Wall: 920.8, 0.00315128/step, 4.12065 hours remaining, 233.628906 MB of memory in use. ENERGY: 292600 3983.1778 20778.4336 14357.9228 249.6762 -203533.9350 2540.1467 0.0000 0.0000 52190.9537 -109433.6242 299.9421 -161624.5779 -109068.9383 300.4657 35.9969 63.5911 760421.1569 10.5254 10.5961 PRESSURE: 292800 425.836 86.0439 11.7276 86.0443 121.911 27.2467 11.7272 27.2459 -43.6761 GPRESSURE: 292800 379.581 70.2952 -56.1949 -3.88335 251.404 -8.91833 63.4279 36.9883 -27.9279 PRESSAVG: 292800 15.6541 -30.9423 6.22269 -30.9424 39.9923 45.0752 6.22273 45.0751 -9.95924 GPRESSAVG: 292800 15.8987 -30.3849 6.18507 -33.288 40.4055 44.1596 5.34769 48.2705 -9.91049 TIMING: 292800 CPU: 921.433, 0.00316511/step Wall: 921.433, 0.00316511/step, 4.13856 hours remaining, 233.628906 MB of memory in use. ENERGY: 292800 3986.1805 20693.8826 14342.7534 242.6241 -203262.5245 2368.7535 0.0000 0.0000 52217.0914 -109411.2390 300.0923 -161628.3304 -109037.9777 300.3562 168.0235 201.0192 757920.7512 15.2290 15.4646 PRESSURE: 293000 -213.093 58.2155 58.1589 58.2147 -259.329 167.114 58.159 167.112 -118.244 GPRESSURE: 293000 -146.654 30.2646 23.2767 33.9123 -203.786 177.249 68.7904 201.092 -154.999 PRESSAVG: 293000 -4.6158 -21.4912 -57.4306 -21.4912 5.37371 15.2546 -57.4307 15.2546 -15.2375 GPRESSAVG: 293000 -4.45244 -23.4852 -60.4925 -20.9922 4.87121 15.4859 -55.8215 13.3629 -14.9174 TIMING: 293000 CPU: 922.067, 0.0031703/step Wall: 922.067, 0.0031703/step, 4.14517 hours remaining, 233.699219 MB of memory in use. ENERGY: 293000 4007.8891 20599.8581 14389.1960 228.6564 -203078.7336 2368.8935 0.0000 0.0000 52108.6985 -109375.5420 299.4694 -161484.2405 -109018.3688 299.9715 -196.8883 -168.4796 759374.4920 -4.8265 -4.8329 PRESSURE: 293200 174.7 -45.9571 -73.4518 -45.957 -37.8975 -116.553 -73.4521 -116.553 177.031 GPRESSURE: 293200 230.431 45.9325 41.1819 -93.4372 -66.7946 -213.564 -37.3878 -83.3697 236.095 PRESSAVG: 293200 11.4547 -19.4653 43.9534 -19.4653 -31.4613 3.55441 43.9535 3.55437 -12.4226 GPRESSAVG: 293200 11.0291 -19.6057 47.0837 -18.4379 -30.3938 3.11736 41.6935 3.15491 -13.0883 TIMING: 293200 CPU: 922.699, 0.00316228/step Wall: 922.699, 0.00316228/step, 4.13451 hours remaining, 233.699219 MB of memory in use. ENERGY: 293200 3924.9823 20523.9014 14388.6893 250.5712 -203366.2404 2428.2892 0.0000 0.0000 52364.7681 -109485.0387 300.9410 -161849.8068 -109110.7279 299.4722 104.6110 133.2438 760603.7983 -10.8098 -10.8177 PRESSURE: 293400 107.195 169.832 -62.6647 169.831 643.937 -4.56599 -62.6653 -4.56675 71.3975 GPRESSURE: 293400 169.273 186.638 -80.5841 227.013 647.014 -37.4164 -3.49641 61.0862 76.1662 PRESSAVG: 293400 -5.09809 -23.699 6.53265 -23.699 58.9218 18.7038 6.53266 18.7038 26.6072 GPRESSAVG: 293400 -5.50332 -20.1382 4.8897 -23.2271 58.1945 18.7932 7.91781 18.3906 27.5623 TIMING: 293400 CPU: 923.33, 0.00315254/step Wall: 923.33, 0.00315254/step, 4.12159 hours remaining, 233.699219 MB of memory in use. ENERGY: 293400 4000.3502 20623.3234 14504.6067 258.6350 -203514.7023 2599.7533 0.0000 0.0000 52191.4930 -109336.5408 299.9452 -161528.0337 -108963.8688 300.4250 274.1762 297.4842 758836.6615 26.8103 26.7511 PRESSURE: 293600 164.2 82.9362 83.5251 82.9359 -16.8562 -43.3025 83.5251 -43.302 -19.0536 GPRESSURE: 293600 260.317 94.6459 14.446 122.073 -12.3536 -52.6339 70.0086 69.8025 -21.2902 PRESSAVG: 293600 48.214 44.1477 -15.4221 44.1477 -8.24858 -5.51938 -15.4222 -5.51937 -27.4514 GPRESSAVG: 293600 49.2792 41.2392 -13.9488 43.7082 -9.75149 -5.0907 -15.3902 -3.20165 -26.8401 TIMING: 293600 CPU: 923.96, 0.00314871/step Wall: 923.96, 0.00314871/step, 4.11641 hours remaining, 233.699219 MB of memory in use. ENERGY: 293600 4079.6379 20534.1614 14446.1085 260.6185 -203696.2483 2631.5280 0.0000 0.0000 52374.9440 -109369.2499 300.9995 -161744.1940 -109004.2894 300.0573 42.7636 75.5577 758874.9892 4.1713 4.2292 PRESSURE: 293800 -69.9096 77.3883 43.2247 77.3887 -113.897 -58.3107 43.2251 -58.3118 126.765 GPRESSURE: 293800 -23.4859 35.5424 29.0644 79.846 -75.2496 -30.5456 158.368 -141.353 111.338 PRESSAVG: 293800 15.5164 -15.4528 -38.0356 -15.4528 4.58904 -28.2407 -38.0355 -28.2408 -5.76945 GPRESSAVG: 293800 14.9135 -16.2746 -38.8422 -14.9373 7.09528 -29.113 -38.4379 -30.541 -7.26085 TIMING: 293800 CPU: 924.591, 0.00315637/step Wall: 924.591, 0.00315637/step, 4.12625 hours remaining, 233.699219 MB of memory in use. ENERGY: 293800 3975.0685 20617.3873 14445.0557 248.0904 -203209.3255 2650.1261 0.0000 0.0000 52042.1384 -109231.4592 299.0869 -161273.5975 -108873.7396 300.4632 -19.0138 4.2007 761234.2685 4.7787 4.9160 PRESSURE: 294000 33.0135 -204.838 -28.6778 -204.839 73.8806 -93.3225 -28.6773 -93.3218 301.601 GPRESSURE: 294000 6.47927 -138.582 -92.2411 -231.568 103.106 -2.73086 78.6532 -51.4302 380.849 PRESSAVG: 294000 38.4412 -65.3572 -38.9198 -65.3572 -18.7624 -30.5062 -38.9198 -30.5062 -12.455 GPRESSAVG: 294000 40.0694 -64.1785 -39.2176 -65.4616 -20.3479 -27.4659 -37.1486 -30.5162 -11.9719 TIMING: 294000 CPU: 925.222, 0.00315679/step Wall: 925.222, 0.00315679/step, 4.12663 hours remaining, 233.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 294000 3945.0912 20618.7519 14416.3179 237.9702 -203096.1389 2478.1608 0.0000 0.0000 52164.9743 -109234.8727 299.7928 -161399.8471 -108869.5867 300.4282 136.1652 163.4783 761803.1148 2.4079 2.5832 PRESSURE: 294200 -453.285 -77.5575 -82.6028 -77.5575 -161.281 -3.3559 -82.6018 -3.35638 -56.7342 GPRESSURE: 294200 -298.578 -181.169 -66.2014 -19.7146 -205.249 92.1717 -9.92555 -94.5142 -75.7107 PRESSAVG: 294200 35.4024 -47.996 -17.8056 -47.996 1.17047 -24.6689 -17.8056 -24.669 7.85807 GPRESSAVG: 294200 35.348 -46.6349 -16.6162 -47.9984 1.7802 -27.2987 -18.5175 -21.0192 7.29023 TIMING: 294200 CPU: 925.855, 0.00316599/step Wall: 925.855, 0.00316599/step, 4.13848 hours remaining, 233.699219 MB of memory in use. ENERGY: 294200 3988.3244 20447.4581 14398.3689 236.3315 -202944.1320 2208.1630 0.0000 0.0000 52144.6917 -109520.7944 299.6763 -161665.4861 -109157.7321 299.9702 -223.7666 -193.1792 761839.6302 14.8103 14.8061 PRESSURE: 294400 -250.971 -17.634 -240.342 -17.6338 -188.771 -187.923 -240.342 -187.924 28.0101 GPRESSURE: 294400 -177.452 -37.8814 -357.918 -46.8446 -195.188 -198.338 -184.845 -97.149 45.5391 PRESSAVG: 294400 41.0028 4.60537 -17.8453 4.60537 -40.3972 3.86308 -17.8453 3.86314 -2.15869 GPRESSAVG: 294400 40.1487 2.76125 -18.7152 2.80225 -41.0623 3.84289 -17.8555 1.8131 -1.15897 TIMING: 294400 CPU: 926.49, 0.00317144/step Wall: 926.49, 0.00317144/step, 4.14542 hours remaining, 233.699219 MB of memory in use. ENERGY: 294400 3987.6400 20427.9523 14356.8631 247.6009 -203100.7828 2346.3851 0.0000 0.0000 52216.5665 -109517.7748 300.0893 -161734.3413 -109167.8114 299.7079 -137.2439 -109.0338 759830.4816 -0.5177 -0.6908 PRESSURE: 294600 95.8291 276.035 43.2755 276.035 -76.2252 66.224 43.2748 66.224 182.938 GPRESSURE: 294600 240.189 245.634 17.9445 202.248 -71.0441 39.1753 100.73 -15.1714 124.771 PRESSAVG: 294600 50.6412 -8.87409 -26.4314 -8.87407 -4.63071 -52.1017 -26.4314 -52.1017 -15.1373 GPRESSAVG: 294600 50.4492 -7.75101 -26.2624 -8.86347 -2.46213 -51.7134 -27.6673 -51.9008 -16.838 TIMING: 294600 CPU: 927.121, 0.00315521/step Wall: 927.121, 0.00315521/step, 4.12403 hours remaining, 233.699219 MB of memory in use. ENERGY: 294600 3888.7069 20561.4157 14394.0594 229.1630 -203381.7572 2572.1015 0.0000 0.0000 52168.4823 -109567.8283 299.8130 -161736.3106 -109218.4003 299.7247 67.5140 97.9721 762641.0007 10.2911 10.3830 PRESSURE: 294800 -88.1307 20.346 13.6436 20.3462 51.0017 -119.889 13.6434 -119.889 -65.2939 GPRESSURE: 294800 -187.846 80.2479 40.3031 66.9795 78.2949 -147.627 -66.3541 53.575 82.9777 PRESSAVG: 294800 -8.33449 -68.0693 0.583573 -68.0693 -10.1553 -62.6312 0.583496 -62.6311 28.7011 GPRESSAVG: 294800 -9.00133 -69.8676 0.345778 -65.6282 -11.6776 -62.9208 1.78081 -62.8787 30.5588 TIMING: 294800 CPU: 927.748, 0.00313478/step Wall: 927.748, 0.00313478/step, 4.09716 hours remaining, 233.699219 MB of memory in use. ENERGY: 294800 4016.2607 20624.0345 14353.7169 230.6505 -203218.6494 2525.2717 0.0000 0.0000 51847.0655 -109621.6497 297.9658 -161468.7152 -109257.0378 299.3656 -34.1410 -8.8579 762776.8072 3.4037 3.2933 PRESSURE: 295000 21.8131 -152.63 -52.5465 -152.629 185.372 329.327 -52.5465 329.327 -32.1418 GPRESSURE: 295000 31.0631 -171.237 -28.1248 -186.663 234.663 274.141 -44.9083 283.445 -18.3204 PRESSAVG: 295000 -34.5241 -7.49875 5.9903 -7.4988 40.5529 16.2193 5.99031 16.2194 2.85723 GPRESSAVG: 295000 -34.1197 -5.36211 8.02446 -8.11306 40.1966 16.5425 4.33602 16.6297 2.50596 TIMING: 295000 CPU: 928.377, 0.00314423/step Wall: 928.377, 0.00314423/step, 4.10934 hours remaining, 233.699219 MB of memory in use. ENERGY: 295000 4033.4229 20511.2477 14406.9139 238.6653 -203153.7779 2495.6874 0.0000 0.0000 51748.6187 -109719.2219 297.4000 -161467.8406 -109369.8470 299.4530 58.3476 82.4685 761125.7666 2.9620 2.8610 PRESSURE: 295200 -118.081 -126.547 108.475 -126.546 -65.1153 50.3917 108.475 50.3926 473.485 GPRESSURE: 295200 -62.6576 -72.8223 173.422 -82.8886 -38.1281 18.5882 -3.56475 -74.757 471.846 PRESSAVG: 295200 -22.5936 10.0022 -24.4826 10.0023 47.7604 -36.071 -24.4825 -36.0711 9.08816 GPRESSAVG: 295200 -21.9378 8.15564 -25.8734 9.47464 48.1934 -36.2812 -23.9178 -37.2996 8.2594 TIMING: 295200 CPU: 929, 0.00311654/step Wall: 929, 0.00311653/step, 4.07296 hours remaining, 233.699219 MB of memory in use. ENERGY: 295200 3912.8720 20515.1997 14366.5320 230.9527 -203296.3604 2467.9393 0.0000 0.0000 52178.5969 -109624.2678 299.8711 -161802.8647 -109264.2886 299.4428 96.7628 123.6866 760594.3705 11.4183 11.5050 PRESSURE: 295400 -311.53 286.347 -134.949 286.347 -256.308 -94.7642 -134.949 -94.7643 -391.054 GPRESSURE: 295400 -258.062 184.01 -50.015 98.8041 -231.879 -120.614 -17.2384 -85.7668 -372.15 PRESSAVG: 295400 17.1708 -6.08366 12.5256 -6.08366 6.12895 9.1687 12.5256 9.16871 -5.63679 GPRESSAVG: 295400 16.6005 -6.46384 13.5206 -6.65434 6.16032 9.649 14.5984 12.6628 -5.10746 TIMING: 295400 CPU: 929.63, 0.00315086/step Wall: 929.63, 0.00315086/step, 4.11765 hours remaining, 233.699219 MB of memory in use. ENERGY: 295400 3967.1027 20611.0111 14421.9231 250.6833 -202737.1506 1937.8284 0.0000 0.0000 51898.9547 -109649.6473 298.2640 -161548.6020 -109286.1505 299.2910 -319.6308 -287.3635 761161.2047 5.8877 5.8845 PRESSURE: 295600 89.1416 -26.7954 -139.814 -26.7966 -193.958 192.147 -139.814 192.147 190.625 GPRESSURE: 295600 161.29 -91.6543 -124.766 -103.339 -188.287 101.168 -21.1695 200.361 194.415 PRESSAVG: 295600 28.6741 -0.342903 -4.96886 -0.342924 -0.91408 -29.7301 -4.96884 -29.7301 22.3714 GPRESSAVG: 295600 27.6338 2.44946 -5.88179 -0.491894 -0.831122 -30.2451 -7.89595 -30.6206 23.0647 TIMING: 295600 CPU: 930.259, 0.00314485/step Wall: 930.259, 0.00314485/step, 4.10962 hours remaining, 233.699219 MB of memory in use. ENERGY: 295600 3996.9331 20511.3999 14449.9559 234.5427 -203162.3553 2429.3178 0.0000 0.0000 51775.5582 -109764.6478 297.5548 -161540.2060 -109399.7764 299.3097 28.6031 55.8061 759841.9824 16.7105 16.6225 PRESSURE: 295800 -30.6906 -108.478 78.1132 -108.479 -164.774 -109.756 78.1124 -109.757 -236.204 GPRESSURE: 295800 62.3559 -27.5614 67.7637 -69.8809 -229.688 -57.6241 48.3647 -180.983 -220.307 PRESSAVG: 295800 0.182547 32.7547 8.57933 32.7547 -7.93874 -33.1287 8.57934 -33.1286 -10.0588 GPRESSAVG: 295800 1.72933 29.7438 8.298 33.8454 -7.79291 -31.7223 9.38993 -34.6054 -11.6982 TIMING: 295800 CPU: 930.886, 0.00313357/step Wall: 930.886, 0.00313357/step, 4.0947 hours remaining, 233.699219 MB of memory in use. ENERGY: 295800 4023.0501 20554.6476 14462.1958 236.6066 -203510.1707 2401.7799 0.0000 0.0000 51981.4334 -109850.4573 298.7380 -161831.8908 -109480.4188 299.2471 -143.8896 -129.2130 759212.5287 -5.9383 -5.9206 PRESSURE: 296000 15.2695 -66.7511 -41.4771 -66.7509 -245.569 -23.1058 -41.4769 -23.1071 -299.374 GPRESSURE: 296000 77.9089 -49.0227 -62.4027 41.5632 -222.81 69.2526 21.2226 58.7249 -271.08 PRESSAVG: 296000 66.2541 23.8644 -42.0004 23.8644 -56.5036 -25.796 -42.0004 -25.7959 -18.1292 GPRESSAVG: 296000 65.723 26.4511 -42.015 22.8009 -56.1244 -25.5426 -40.6069 -26.3082 -17.3494 TIMING: 296000 CPU: 931.513, 0.00313403/step Wall: 931.513, 0.00313403/step, 4.09513 hours remaining, 233.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 296000 4017.3024 20493.3432 14463.6197 246.3101 -203610.8434 2556.9211 0.0000 0.0000 51990.0051 -109843.3418 298.7873 -161833.3469 -109475.8212 299.0691 -176.5577 -138.6604 761158.1072 -2.7929 -2.5836 PRESSURE: 296200 -201.86 123.121 80.2886 123.121 -285.298 -300.495 80.288 -300.494 -159.964 GPRESSURE: 296200 -163.632 180.183 54.2416 115.506 -244.2 -361.952 97.6623 -220.554 -158.481 PRESSAVG: 296200 92.8123 21.9122 -3.34778 21.9121 -16.5925 -11.3836 -3.34777 -11.3836 14.0809 GPRESSAVG: 296200 93.3045 22.0412 -2.61304 22.1695 -17.162 -12.7872 -3.40479 -9.77112 14.0443 TIMING: 296200 CPU: 932.141, 0.00314049/step Wall: 932.141, 0.00314049/step, 4.1034 hours remaining, 233.699219 MB of memory in use. ENERGY: 296200 3980.6810 20376.0739 14419.7486 236.5759 -203112.7192 2219.8534 0.0000 0.0000 52065.1437 -109814.6427 299.2191 -161879.7864 -109447.2298 298.5634 -215.7075 -188.7712 760347.4310 30.1002 30.0622 LDB: ============= START OF LOAD BALANCING ============== 944.538 LDB: ============== END OF LOAD BALANCING =============== 944.538 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 944.54 LDB: ============= START OF LOAD BALANCING ============== 944.852 LDB: Largest compute 7026 load 0.033170 is 17.0% of average load 0.195633 LDB: Average compute 0.004379 is 2.2% of average load 0.195633 LDB: TIME 944.856 LOAD: AVG 0.195633 MAX 0.215852 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.859 MB LDB: TIME 944.856 LOAD: AVG 0.195633 MAX 0.215852 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.859 MB LDB: TIME 944.856 LOAD: AVG 0.195633 MAX 0.215852 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.859 MB LDB: ============== END OF LOAD BALANCING =============== 944.858 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 944.863 PRESSURE: 296400 -14.433 -30.5793 160.105 -30.5793 143.62 -23.5479 160.104 -23.5484 60.7446 GPRESSURE: 296400 60.9649 -20.8824 138.587 -15.7046 128.999 -24.9246 141.218 -44.6237 90.4505 PRESSAVG: 296400 -31.9637 31.9694 7.90388 31.9694 -12.3183 2.42517 7.90385 2.42509 12.784 GPRESSAVG: 296400 -32.0928 29.038 8.63468 35.3834 -12.3815 2.86456 5.75424 1.39216 13.2607 TIMING: 296400 CPU: 932.781, 0.0031995/step Wall: 932.781, 0.0031995/step, 4.18032 hours remaining, 232.003906 MB of memory in use. ENERGY: 296400 3977.6317 20506.1168 14381.7423 244.1580 -203430.9650 2626.7563 0.0000 0.0000 52105.3159 -109589.2439 299.4500 -161694.5599 -109235.4302 298.7789 63.3104 93.4716 760831.4303 -10.4993 -10.4046 PRESSURE: 296600 -270.17 -8.27977 -10.3661 -8.28 -19.256 -70.186 -10.3654 -70.1851 233.244 GPRESSURE: 296600 -165.151 -82.9613 80.0092 6.03842 -47.4629 -182.679 -140.987 -53.003 252.097 PRESSAVG: 296600 5.60194 17.4039 1.40645 17.4039 -27.49 30.9825 1.40638 30.9825 -8.31575 GPRESSAVG: 296600 4.9355 20.2241 1.83528 13.2808 -25.4891 30.8833 2.74019 31.1757 -9.2095 TIMING: 296600 CPU: 933.407, 0.00313056/step Wall: 933.407, 0.00313056/step, 4.09008 hours remaining, 232.003906 MB of memory in use. ENERGY: 296600 3949.6547 20505.6325 14444.0282 244.4664 -203268.2855 2517.4501 0.0000 0.0000 52227.1848 -109379.8688 300.1503 -161607.0536 -109018.0187 299.3586 -18.7275 13.1608 761751.3125 -10.0679 -9.9210 PRESSURE: 296800 -160.459 -97.1848 -48.1594 -97.184 -17.2575 238.477 -48.1597 238.477 -480.486 GPRESSURE: 296800 -86.6805 -170.234 -128.508 -136.628 -152.303 221.175 66.9839 308.399 -335.158 PRESSAVG: 296800 -14.3723 -15.1268 3.11733 -15.1268 4.74184 -3.69758 3.11727 -3.69755 -17.4794 GPRESSAVG: 296800 -13.494 -15.9326 2.47201 -14.355 3.24314 -4.58642 1.76541 -3.74461 -16.8233 TIMING: 296800 CPU: 934.031, 0.00312093/step Wall: 934.031, 0.00312093/step, 4.07733 hours remaining, 232.003906 MB of memory in use. ENERGY: 296800 4046.2871 20587.0027 14425.9323 244.6502 -203408.0696 2543.3070 0.0000 0.0000 52212.8618 -109348.0285 300.0680 -161560.8903 -108988.6187 299.9993 -219.4008 -191.3806 760960.5687 -9.0366 -9.0247 PRESSURE: 297000 106.689 -18.0295 -76.6567 -18.0301 271.518 -320.169 -76.6564 -320.17 164.45 GPRESSURE: 297000 161.688 -61.2494 -72.2633 -124.069 328.981 -316.195 -49.5248 -248.719 156.057 PRESSAVG: 297000 6.38636 -43.0179 42.2369 -43.0179 30.4161 -25.2478 42.2368 -25.2478 -4.91091 GPRESSAVG: 297000 5.78571 -44.5444 40.5394 -41.5698 30.131 -23.6591 44.3195 -25.4871 -3.72628 TIMING: 297000 CPU: 934.655, 0.00311882/step Wall: 934.655, 0.00311882/step, 4.07439 hours remaining, 232.242188 MB of memory in use. ENERGY: 297000 3940.7207 20466.9848 14428.9487 259.2296 -203541.4004 2515.2503 0.0000 0.0000 52368.7512 -109561.5151 300.9639 -161930.2664 -109184.2895 299.4581 180.8854 215.5751 759733.9540 10.6305 10.7302 PRESSURE: 297200 152.283 18.2663 78.8974 18.2668 218.764 -6.30787 78.8971 -6.30849 148.357 GPRESSURE: 297200 215.487 46.4945 89.0802 -44.6471 222.007 76.3505 73.1309 43.5216 159.65 PRESSAVG: 297200 -32.6831 -2.10126 -3.05381 -2.10123 14.0423 -33.5201 -3.05376 -33.52 4.78115 GPRESSAVG: 297200 -32.7961 -0.191875 -0.553503 -5.90689 15.5445 -34.4386 -3.7656 -33.6829 2.58963 TIMING: 297200 CPU: 935.28, 0.00312527/step Wall: 935.28, 0.00312527/step, 4.08264 hours remaining, 232.242188 MB of memory in use. ENERGY: 297200 3900.2921 20649.3868 14465.8854 242.5337 -203568.3054 2450.2984 0.0000 0.0000 52206.7719 -109653.1370 300.0330 -161859.9089 -109292.2249 299.3905 173.1347 199.0484 758968.5921 -4.6199 -4.8873 PRESSURE: 297400 250.412 97.0284 14.3663 97.0296 -366.365 -7.00894 14.3668 -7.01021 -281.304 GPRESSURE: 297400 219.376 37.9337 4.0474 142.908 -343.094 -1.1773 -47.1439 31.1031 -193.343 PRESSAVG: 297400 35.983 -4.78143 38.8487 -4.78148 -22.6618 -51.9053 38.8488 -51.9054 8.41636 GPRESSAVG: 297400 35.7488 -6.9118 38.0903 -0.988038 -23.3115 -51.28 38.857 -53.1512 8.75046 TIMING: 297400 CPU: 935.906, 0.00313267/step Wall: 935.906, 0.00313267/step, 4.09214 hours remaining, 232.242188 MB of memory in use. ENERGY: 297400 3957.2041 20621.8297 14427.3536 233.4670 -203416.8058 2624.5562 0.0000 0.0000 52058.6439 -109493.7512 299.1817 -161552.3952 -109142.1604 299.6518 -132.4189 -105.6870 759852.7426 7.2459 7.0626 PRESSURE: 297600 -1.27373 -7.59239 9.12452 -7.59208 157.931 106.608 9.12439 106.608 244.552 GPRESSURE: 297600 40.9649 -90.6314 8.43372 -43.6101 251.03 58.4738 108.663 114.952 172.609 PRESSAVG: 297600 -1.60833 37.1808 7.31597 37.1808 -31.1068 7.55806 7.31595 7.55807 -47.2739 GPRESSAVG: 297600 -0.960702 38.4812 5.71825 34.6745 -31.5109 5.82489 8.54953 8.43416 -47.424 TIMING: 297600 CPU: 936.529, 0.00311203/step Wall: 936.529, 0.00311203/step, 4.065 hours remaining, 232.242188 MB of memory in use. ENERGY: 297600 3910.3625 20534.0284 14377.6641 257.0451 -203843.4796 2645.0820 0.0000 0.0000 52491.7101 -109627.5874 301.6706 -162119.2975 -109258.7035 299.5515 133.7367 154.8677 760137.6101 -26.6630 -26.6319 PRESSURE: 297800 -149.803 151.218 -144.698 151.219 70.2858 -45.2678 -144.698 -45.2673 301.583 GPRESSURE: 297800 -116.834 109.422 -120.316 110.878 179.767 -20.0051 -39.9832 -5.11936 235.065 PRESSAVG: 297800 65.3569 26.7723 -15.2446 26.7724 -42.3451 49.0995 -15.2446 49.0995 12.4898 GPRESSAVG: 297800 65.1346 27.0871 -14.4186 28.2712 -42.908 51.5547 -15.5596 49.7894 12.8911 TIMING: 297800 CPU: 937.151, 0.00310965/step Wall: 937.151, 0.00310965/step, 4.06172 hours remaining, 232.242188 MB of memory in use. ENERGY: 297800 3876.7822 20504.2524 14350.2375 224.8118 -203132.0306 2388.2163 0.0000 0.0000 51906.1048 -109881.6257 298.3051 -161787.7304 -109512.0323 299.0671 74.0219 99.3331 762376.2773 11.8338 11.7059 PRESSURE: 298000 -15.9048 17.6767 169.763 17.6754 -92.5866 -109.317 169.764 -109.316 298.713 GPRESSURE: 298000 -27.7572 52.4568 82.3912 -80.5565 -19.1603 -149.733 8.94178 -159.984 337.34 PRESSAVG: 298000 39.1625 25.6536 38.7897 25.6536 -50.635 -2.49963 38.7897 -2.49965 -7.50957 GPRESSAVG: 298000 39.8023 26.2812 39.4776 25.6408 -50.105 -3.057 37.0402 -4.51277 -8.67101 TIMING: 298000 CPU: 937.772, 0.00310773/step Wall: 937.772, 0.00310773/step, 4.05904 hours remaining, 232.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 298000 3871.0757 20452.0934 14394.3395 244.0010 -203307.1797 2319.6295 0.0000 0.0000 52098.2108 -109927.8299 299.4091 -162026.0407 -109556.5258 298.4468 63.4071 96.8074 760859.2609 -6.3274 -6.3246 PRESSURE: 298200 151.252 -48.2186 191.937 -48.2182 97.8781 94.8751 191.936 94.8754 -187.182 GPRESSURE: 298200 227.43 34.1695 161.019 -22.0218 146.434 15.626 382.502 9.772 -220.381 PRESSAVG: 298200 69.9428 71.6099 24.1243 71.6098 -99.2485 -40.2523 24.1243 -40.2523 -18.9027 GPRESSAVG: 298200 71.2174 71.4217 24.4668 71.977 -100.647 -40.9939 24.2467 -37.8731 -18.8257 TIMING: 298200 CPU: 938.396, 0.00311913/step Wall: 938.396, 0.00311913/step, 4.07376 hours remaining, 232.242188 MB of memory in use. ENERGY: 298200 4067.8579 20436.0995 14473.4440 256.3300 -203519.1837 2649.7903 0.0000 0.0000 52112.2158 -109523.4462 299.4896 -161635.6620 -109174.1808 298.9019 20.6495 51.1614 760520.7151 -16.0695 -16.0851 PRESSURE: 298400 172.93 -111.043 -71.6988 -111.043 244.99 130.346 -71.699 130.347 142.354 GPRESSURE: 298400 153.794 -54.4215 -24.1585 -2.66 271.944 181.394 -80.6737 95.3795 234.721 PRESSAVG: 298400 6.13073 -5.71052 53.8639 -5.71057 -6.40366 40.5474 53.8639 40.5474 -4.69789 GPRESSAVG: 298400 4.53476 -3.57873 52.562 -6.80013 -4.75085 40.8127 57.84 40.2452 -4.56501 TIMING: 298400 CPU: 939.019, 0.00311626/step Wall: 939.019, 0.00311626/step, 4.06983 hours remaining, 232.242188 MB of memory in use. ENERGY: 298400 4021.5762 20386.7275 14345.2363 232.4981 -203551.4656 2878.7659 0.0000 0.0000 52138.3032 -109548.3584 299.6395 -161686.6616 -109192.3468 299.2228 186.7578 220.1531 760015.7343 -1.6569 -1.5937 PRESSURE: 298600 -418.96 -94.7698 -88.3783 -94.77 -367.649 -12.1378 -88.3775 -12.1377 -441.195 GPRESSURE: 298600 -345.142 -0.84983 -88.8539 -160.573 -413.454 -25.9945 -121.286 62.6246 -390.603 PRESSAVG: 298600 17.5405 -57.2782 -5.76799 -57.2782 -16.3026 -10.8332 -5.76794 -10.8332 10.8544 GPRESSAVG: 298600 17.6494 -59.5475 -6.59201 -55.5959 -15.8724 -8.73353 -9.89208 -10.7093 10.2501 TIMING: 298600 CPU: 939.641, 0.00310786/step Wall: 939.641, 0.00310786/step, 4.05869 hours remaining, 232.242188 MB of memory in use. ENERGY: 298600 4082.8317 20446.8994 14348.3795 244.7868 -202775.9837 2222.4033 0.0000 0.0000 51977.1354 -109453.5477 298.7133 -161430.6831 -109100.5869 299.4829 -409.2678 -383.0661 760572.3850 4.0308 4.0090 PRESSURE: 298800 -59.2198 118.077 42.9967 118.077 -16.6463 -11.4478 42.9956 -11.4473 158.64 GPRESSURE: 298800 34.4358 116.623 -21.508 103.242 -31.7379 -148.571 197.279 -8.09534 195.553 PRESSAVG: 298800 25.0263 -29.212 -34.0386 -29.212 -7.75533 -1.15403 -34.0386 -1.15404 -8.46582 GPRESSAVG: 298800 24.8784 -28.1135 -32.5287 -29.2389 -8.96851 -3.88637 -32.8203 -1.90544 -7.1712 TIMING: 298800 CPU: 940.266, 0.00312715/step Wall: 940.266, 0.00312715/step, 4.08371 hours remaining, 232.242188 MB of memory in use. ENERGY: 298800 3935.1275 20334.2062 14362.4210 255.0190 -203091.5539 2385.9203 0.0000 0.0000 52283.2133 -109535.6464 300.4723 -161818.8598 -109162.4067 299.4377 27.5913 66.0836 759423.4450 2.9351 2.9129 PRESSURE: 299000 -25.44 -126.801 -49.5516 -126.801 55.4541 114.648 -49.5509 114.646 -123.251 GPRESSURE: 299000 71.6347 -112.46 -92.743 -174.308 88.3613 22.5303 56.6305 241.844 -152.679 PRESSAVG: 299000 41.7841 -56.5566 -63.8959 -56.5566 -20.525 12.982 -63.8958 12.9821 9.35222 GPRESSAVG: 299000 42.7594 -58.4957 -65.2498 -57.4088 -20.4588 15.4507 -62.184 13.5775 8.47111 TIMING: 299000 CPU: 940.89, 0.00312142/step Wall: 940.89, 0.00312142/step, 4.07606 hours remaining, 232.242188 MB of memory in use. ENERGY: 299000 3990.0438 20552.5530 14356.3893 245.9901 -203002.4042 2235.1160 0.0000 0.0000 52084.7420 -109537.5700 299.3317 -161622.3119 -109171.3966 299.0816 -31.0791 2.4391 760773.3582 10.2038 10.2572 PRESSURE: 299200 -127.046 27.3482 173.068 27.3491 30.1331 48.9213 173.068 48.92 -191.179 GPRESSURE: 299200 -286.402 174.737 263.458 104.203 162.225 113.621 45.8572 -95.8731 -90.2887 PRESSAVG: 299200 45.6724 21.3403 -20.6208 21.3403 -22.6869 18.2819 -20.6208 18.2818 -9.19211 GPRESSAVG: 299200 44.9763 22.6111 -18.7127 20.1514 -23.1099 18.0272 -23.6036 17.6834 -8.14713 TIMING: 299200 CPU: 941.514, 0.00311866/step Wall: 941.514, 0.00311866/step, 4.07228 hours remaining, 232.242188 MB of memory in use. ENERGY: 299200 4040.0635 20518.8260 14310.6775 249.9776 -203195.6587 2525.9848 0.0000 0.0000 51930.1763 -109619.9530 298.4434 -161550.1293 -109267.1914 299.2489 -96.0306 -71.4886 762781.3404 4.5978 4.5731 PRESSURE: 299400 291.855 -322.495 65.572 -322.496 -245.109 -87.0452 65.572 -87.0456 -111.081 GPRESSURE: 299400 280.768 -252.759 -15.9121 -336.316 -138.873 -62.12 64.5581 -23.2661 -127.29 PRESSAVG: 299400 32.5722 -19.461 30.4663 -19.4611 2.35703 -15.6209 30.4663 -15.6209 -0.230535 GPRESSAVG: 299400 32.8504 -20.3493 29.5889 -18.2241 2.17105 -16.3886 33.1068 -16.3198 -0.659172 TIMING: 299400 CPU: 942.135, 0.00310388/step Wall: 942.135, 0.00310388/step, 4.0528 hours remaining, 232.242188 MB of memory in use. ENERGY: 299400 3969.1755 20591.7749 14415.9994 252.1312 -203599.6912 2682.7154 0.0000 0.0000 52053.7037 -109634.1910 299.1534 -161687.8947 -109271.9198 299.2147 -21.4451 4.8682 760937.5792 11.5662 11.4541 PRESSURE: 299600 150.208 -139.354 38.4027 -139.353 -260.965 29.5359 38.4019 29.5359 -388.579 GPRESSURE: 299600 100.567 -157.708 -10.8965 34.5669 -103.47 -16.6822 68.6454 243.141 -411.702 PRESSAVG: 299600 2.32157 0.212307 34.6647 0.212274 -43.175 4.80282 34.6647 4.80278 4.24924 GPRESSAVG: 299600 0.79913 0.727615 34.4021 1.58375 -41.7945 5.50809 32.3955 5.96717 4.03565 TIMING: 299600 CPU: 942.759, 0.0031205/step Wall: 942.759, 0.0031205/step, 4.07433 hours remaining, 232.242188 MB of memory in use. ENERGY: 299600 4012.7876 20586.6131 14364.8688 252.9619 -203587.4314 2567.8197 0.0000 0.0000 51973.9358 -109828.4446 298.6949 -161802.3804 -109459.4677 299.2178 -166.4450 -138.2016 759616.7651 -12.2014 -12.3199 PRESSURE: 299800 -245.728 38.0323 -100.148 38.0329 -118.386 -175.479 -100.147 -175.477 -206.472 GPRESSURE: 299800 -115.69 85.519 -18.8424 -40.5179 -176.361 -97.0681 48.0169 -129.103 -199.872 PRESSAVG: 299800 31.6947 61.048 -28.819 61.048 -11.0636 56.3026 -28.819 56.3026 2.04742 GPRESSAVG: 299800 33.4123 62.0412 -27.1086 58.2957 -12.1722 56.5398 -28.317 55.9962 1.16024 TIMING: 299800 CPU: 943.386, 0.00313579/step Wall: 943.386, 0.00313579/step, 4.09412 hours remaining, 232.242188 MB of memory in use. ENERGY: 299800 4028.3447 20447.3052 14417.4844 252.0285 -203337.4771 2445.9269 0.0000 0.0000 52138.7631 -109607.6241 299.6422 -161746.3872 -109241.6135 299.2930 -190.1955 -163.9745 762312.3760 7.5595 7.4668 PRESSURE: 300000 -174.223 24.0608 -17.1683 24.0606 -431.931 259.728 -17.1685 259.728 -158.715 GPRESSURE: 300000 -162.541 56.2506 42.1057 65.6437 -301.236 255.264 -127.612 164.507 -220.765 PRESSAVG: 300000 33.2697 17.8896 -13.6279 17.8896 -54.2015 4.72346 -13.6279 4.7235 31.606 GPRESSAVG: 300000 33.3408 16.0182 -16.0681 19.6956 -54.1634 4.65767 -12.8467 5.28951 31.2501 TIMING: 300000 CPU: 944.013, 0.00313571/step Wall: 944.013, 0.00313571/step, 4.09385 hours remaining, 232.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 300000 4063.9363 20586.4076 14475.5238 247.2915 -203217.7872 2423.7852 0.0000 0.0000 51839.5245 -109581.3182 297.9225 -161420.8428 -109220.6272 299.3290 -254.9564 -228.1805 761257.1573 3.5580 3.4758 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.014 seconds, 232.242 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.006 seconds, 232.367 MB of memory in use PRESSURE: 300200 -254.746 -99.6297 -58.6518 -99.6286 -285.217 18.4293 -58.6516 18.428 -73.0629 GPRESSURE: 300200 -293.615 -39.0017 -153.795 -137.677 -156.818 -46.6895 -17.9251 -24.2207 -83.7849 PRESSAVG: 300200 -45.6939 49.3595 6.99457 49.3595 -24.6724 -29.113 6.99462 -29.113 18.6485 GPRESSAVG: 300200 -46.0116 50.8032 6.7982 47.4587 -24.3538 -29.9218 6.98532 -31.4921 18.8352 TIMING: 300200 CPU: 944.659, 0.00322793/step Wall: 944.659, 0.00322793/step, 4.21406 hours remaining, 232.367188 MB of memory in use. ENERGY: 300200 4028.7245 20458.9686 14408.0490 236.3632 -203048.7170 2172.2747 0.0000 0.0000 52148.5197 -109595.8173 299.6983 -161744.3370 -109235.5414 299.6073 -204.3418 -178.0727 761449.3846 -17.2393 -17.1767 LDB: ============= START OF LOAD BALANCING ============== 957.055 LDB: ============== END OF LOAD BALANCING =============== 957.055 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 957.057 LDB: ============= START OF LOAD BALANCING ============== 957.371 LDB: Largest compute 7026 load 0.033156 is 16.9% of average load 0.195629 LDB: Average compute 0.004393 is 2.2% of average load 0.195629 LDB: TIME 957.374 LOAD: AVG 0.195629 MAX 0.218464 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.781 MB LDB: TIME 957.375 LOAD: AVG 0.195629 MAX 0.218464 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.984 MB LDB: TIME 957.375 LOAD: AVG 0.195629 MAX 0.218464 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 957.377 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 957.381 PRESSURE: 300400 -171.164 -35.29 -4.34196 -35.2909 44.647 166.054 -4.34172 166.056 374.198 GPRESSURE: 300400 -160.671 -0.350601 10.9336 -49.2338 66.5633 166.141 79.0886 116.319 435.04 PRESSAVG: 300400 0.953046 6.90545 1.85283 6.90544 -6.9308 -18.6763 1.85292 -18.6764 38.2923 GPRESSAVG: 300400 0.825205 5.86839 2.61719 8.57971 -7.46551 -19.702 1.10988 -15.3535 39.3494 TIMING: 300400 CPU: 945.299, 0.00319956/step Wall: 945.299, 0.00319956/step, 4.17684 hours remaining, 233.324219 MB of memory in use. ENERGY: 300400 3953.9904 20516.9750 14374.4568 253.0040 -203487.7997 2607.1032 0.0000 0.0000 52026.8482 -109755.4222 298.9990 -161782.2704 -109391.7116 298.9530 82.5600 113.6443 758718.4054 10.7715 10.9030 PRESSURE: 300600 128.279 21.688 -31.4486 21.6877 -92.7289 38.1369 -31.4478 38.1379 -14.8914 GPRESSURE: 300600 133.193 -75.9274 52.3587 -82.2457 -68.0994 -58.6599 40.5637 39.3369 34.3176 PRESSAVG: 300600 45.1565 12.5059 -38.9825 12.5058 -32.7132 12.4406 -38.9825 12.4406 10.4839 GPRESSAVG: 300600 45.7876 12.8862 -39.6521 13.3684 -32.6275 12.8845 -37.2991 12.4457 10.4129 TIMING: 300600 CPU: 945.927, 0.00314171/step Wall: 945.927, 0.00314171/step, 4.10116 hours remaining, 233.617188 MB of memory in use. ENERGY: 300600 4008.6060 20633.5263 14400.1998 248.8128 -203062.5319 2368.0991 0.0000 0.0000 51734.9964 -109668.2915 297.3217 -161403.2880 -109311.6874 299.0165 6.8863 33.1371 760070.0530 7.6424 7.8577 PRESSURE: 300800 -83.8052 -101.272 -184.618 -101.272 -311.136 -87.317 -184.617 -87.3163 100.768 GPRESSURE: 300800 -46.3573 -205.26 -205.68 -147.822 -320.821 -122.846 -203.227 -123.536 127.306 PRESSAVG: 300800 52.4733 -38.1761 -39.8009 -38.176 -88.1999 -3.86332 -39.8009 -3.86328 15.2685 GPRESSAVG: 300800 51.594 -38.1892 -40.3991 -40.7366 -88.8957 -0.993478 -42.0813 -5.35089 16.6176 TIMING: 300800 CPU: 946.555, 0.00313937/step Wall: 946.555, 0.00313937/step, 4.09793 hours remaining, 233.726562 MB of memory in use. ENERGY: 300800 4030.5296 20605.8812 14419.5422 253.7078 -202923.7858 2242.3553 0.0000 0.0000 52019.0697 -109352.7000 298.9543 -161371.7697 -108994.8070 299.6406 -98.0576 -79.9575 761691.7096 -6.8194 -6.8947 PRESSURE: 301000 -259.839 27.3288 -259.079 27.3287 -79.9041 -119.7 -259.077 -119.7 538.144 GPRESSURE: 301000 -124.234 -29.8374 -158.426 110.511 -119.448 -167.026 -246.284 -183.535 523.136 PRESSAVG: 301000 16.5504 13.0245 -1.09228 13.0246 -24.161 4.83294 -1.09223 4.83297 33.6926 GPRESSAVG: 301000 18.2892 12.7361 -1.32935 12.9334 -24.4265 2.98636 0.702797 2.99415 32.7213 TIMING: 301000 CPU: 947.179, 0.00312106/step Wall: 947.179, 0.00312106/step, 4.07385 hours remaining, 233.726562 MB of memory in use. ENERGY: 301000 4077.2572 20537.5437 14395.3199 244.4488 -203593.0533 2731.8857 0.0000 0.0000 52095.5926 -109511.0053 299.3941 -161606.5979 -109156.4511 299.4308 66.1336 93.1515 759719.0316 8.6940 8.8614 PRESSURE: 301200 -16.0135 71.8307 -83.2547 71.8316 264.034 19.2942 -83.2551 19.2951 -1.08023 GPRESSURE: 301200 82.9059 50.3341 -119.265 -5.86801 222.191 -6.48897 26.3309 -42.5696 30.0764 PRESSAVG: 301200 54.6538 -19.5253 4.64406 -19.5253 -83.5749 5.86958 4.64406 5.86952 -21.1645 GPRESSAVG: 301200 52.6099 -17.858 5.86862 -18.9721 -83.1242 4.71691 2.62095 5.79339 -19.8815 TIMING: 301200 CPU: 947.806, 0.00313301/step Wall: 947.806, 0.00313301/step, 4.08927 hours remaining, 233.726562 MB of memory in use. ENERGY: 301200 3976.7621 20510.2194 14321.1789 221.6427 -203129.9800 2516.7573 0.0000 0.0000 51998.3411 -109585.0784 298.8352 -161583.4196 -109224.5448 299.0279 82.3134 111.7245 760155.7456 -16.6952 -16.7986 PRESSURE: 301400 -70.4521 -252.975 53.2461 -252.975 45.5766 19.1896 53.2456 19.1909 -116.618 GPRESSURE: 301400 -32.8738 -203.786 40.7239 -275.042 12.9675 122.534 -79.8718 44.3163 -31.3427 PRESSAVG: 301400 15.3697 -21.1102 -31.5944 -21.1102 -60.0271 20.4527 -31.5943 20.4527 -7.98852 GPRESSAVG: 301400 14.7527 -20.7795 -32.4733 -21.9431 -59.7438 23.2446 -29.7272 21.6408 -8.08189 TIMING: 301400 CPU: 948.435, 0.00314523/step Wall: 948.435, 0.00314523/step, 4.10505 hours remaining, 233.726562 MB of memory in use. ENERGY: 301400 3982.5296 20382.4132 14368.5669 233.3170 -202905.9064 2285.6258 0.0000 0.0000 52158.6401 -109494.8139 299.7564 -161653.4540 -109123.8985 299.2709 -47.1644 -17.0830 758794.3813 -17.5486 -17.6910 PRESSURE: 301600 -351.48 -186.767 112.296 -186.768 -240.226 -238.92 112.297 -238.92 61.17 GPRESSURE: 301600 -163.474 -112.749 100.304 -209.093 -301.354 -173.116 35.9004 -253.133 8.80359 PRESSAVG: 301600 5.25086 -37.536 20.5562 -37.536 22.1946 57.4606 20.5561 57.4606 1.16869 GPRESSAVG: 301600 7.62497 -37.7479 21.8541 -37.5059 21.2911 57.7427 18.1956 56.8244 -0.257925 TIMING: 301600 CPU: 949.06, 0.00312794/step Wall: 949.06, 0.00312794/step, 4.08231 hours remaining, 233.726562 MB of memory in use. ENERGY: 301600 4048.1270 20305.0744 14354.3446 244.2574 -202903.7868 2192.0937 0.0000 0.0000 52306.6327 -109453.2570 300.6069 -161759.8897 -109089.6468 299.6631 -176.8455 -152.0084 762682.6115 9.5381 9.5527 PRESSURE: 301800 83.2248 68.4012 -157.726 68.4002 -20.1517 -171.421 -157.726 -171.42 325.322 GPRESSURE: 301800 5.03431 46.0921 -65.9079 133.311 198.912 -117.488 -209.267 -244.876 263.475 PRESSAVG: 301800 -17.4866 -28.6455 -31.1213 -28.6454 -26.1897 -2.77889 -31.1212 -2.77902 1.85917 GPRESSAVG: 301800 -18.2425 -28.1795 -30.6397 -27.453 -25.4872 -4.46426 -28.7468 -3.54834 2.1137 TIMING: 301800 CPU: 949.688, 0.0031356/step Wall: 949.688, 0.0031356/step, 4.09214 hours remaining, 233.726562 MB of memory in use. ENERGY: 301800 3969.3664 20381.1435 14338.4245 246.7783 -203194.7414 2495.0744 0.0000 0.0000 52294.3526 -109469.6019 300.5364 -161763.9544 -109108.1111 299.3554 129.4650 155.8074 761434.1179 -13.9390 -13.8720 PRESSURE: 302000 -165.615 -122.268 22.4467 -122.267 -119.978 271.066 22.4469 271.066 -237.075 GPRESSURE: 302000 -184.336 -47.4272 84.6976 -154.452 -69.3892 234.587 -18.2842 170.662 -183.362 PRESSAVG: 302000 54.543 -14.701 9.11517 -14.701 -37.2824 57.53 9.11523 57.5299 -5.54631 GPRESSAVG: 302000 53.1943 -15.9664 9.06313 -15.3801 -37.1719 55.8004 6.88954 58.9467 -4.52282 TIMING: 302000 CPU: 950.314, 0.00313031/step Wall: 950.314, 0.00313031/step, 4.08506 hours remaining, 233.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 302000 4047.7302 20380.4956 14354.9620 243.1262 -203179.0409 2526.1821 0.0000 0.0000 52250.6099 -109375.9349 300.2850 -161626.5448 -109012.4348 299.7737 -174.2227 -145.6955 761757.0433 3.9048 3.8332 PRESSURE: 302200 -42.6356 -155.908 -69.0083 -155.909 -186.907 -69.415 -69.0088 -69.415 240.264 GPRESSURE: 302200 50.6396 -136.95 -87.0375 -76.7123 -185.259 -46.5141 -51.6083 -112.729 221.624 PRESSAVG: 302200 3.29628 -27.6162 36.7167 -27.6163 -42.1918 -35.1348 36.7166 -35.1348 1.93886 GPRESSAVG: 302200 4.38043 -29.4488 36.6923 -27.0723 -43.7057 -34.4297 36.4776 -35.623 2.49574 TIMING: 302200 CPU: 950.939, 0.00312474/step Wall: 950.939, 0.00312474/step, 4.07762 hours remaining, 233.726562 MB of memory in use. ENERGY: 302200 4003.6551 20572.9793 14350.0902 247.4736 -202744.8911 2031.7845 0.0000 0.0000 52017.9235 -109520.9849 298.9477 -161538.9084 -109156.1699 299.8972 3.5737 29.0014 760637.8454 -12.3189 -12.2765 PRESSURE: 302400 -49.1632 114.068 -40.8804 114.068 6.97712 21.8857 -40.8801 21.8843 -64.081 GPRESSURE: 302400 5.62767 165.895 -51.0427 76.9986 4.8401 47.8273 52.5264 64.5234 -36.8505 PRESSAVG: 302400 18.569 -37.0971 0.248227 -37.0971 -52.5908 -0.85058 0.248284 -0.850635 15.8696 GPRESSAVG: 302400 16.946 -36.424 -0.424393 -35.9993 -50.7242 -1.86505 1.26632 -0.404207 14.9107 TIMING: 302400 CPU: 951.567, 0.00314207/step Wall: 951.567, 0.00314207/step, 4.10005 hours remaining, 233.726562 MB of memory in use. ENERGY: 302400 3942.5393 20417.1446 14358.5770 235.0379 -203283.2369 2519.4629 0.0000 0.0000 52101.7705 -109708.7047 299.4296 -161810.4752 -109332.6439 299.2503 -35.4224 -8.7943 760148.2027 -6.0507 -6.2892 PRESSURE: 302600 49.8494 163.493 -41.0991 163.494 -18.4247 36.8903 -41.0991 36.8903 -120.256 GPRESSURE: 302600 132.407 165.049 -22.2048 180.117 -51.5819 69.174 -32.7329 54.3073 -86.8468 PRESSAVG: 302600 18.9261 -4.7467 -4.51393 -4.74663 -34.1083 -73.8251 -4.51396 -73.8251 28.0696 GPRESSAVG: 302600 20.4071 -4.3827 -2.50829 -5.27407 -35.584 -71.7413 -4.93725 -74.0116 28.0951 TIMING: 302600 CPU: 952.19, 0.00311468/step Wall: 952.19, 0.00311468/step, 4.06414 hours remaining, 233.726562 MB of memory in use. ENERGY: 302600 4038.1514 20419.8118 14355.0454 261.4867 -203251.9439 2607.6985 0.0000 0.0000 51878.9043 -109690.8458 298.1488 -161569.7501 -109330.1597 298.3841 -29.6104 -2.0071 760920.2558 4.2958 4.3061 PRESSURE: 302800 144.089 -0.889826 -38.8336 -0.889523 7.73253 68.392 -38.8337 68.3918 -409.905 GPRESSURE: 302800 211.774 52.2527 -47.6763 -44.8319 33.4157 100.381 -74.3557 -63.4551 -417.02 PRESSAVG: 302800 46.4054 -18.7722 17.3311 -18.7722 19.2922 30.0433 17.3311 30.0434 -0.375472 GPRESSAVG: 302800 46.6394 -18.5364 14.3631 -20.6502 20.3098 29.8752 18.9563 27.4335 -1.75649 TIMING: 302800 CPU: 952.815, 0.00312598/step Wall: 952.815, 0.00312598/step, 4.07871 hours remaining, 233.726562 MB of memory in use. ENERGY: 302800 3937.3862 20376.2327 14414.3966 229.1101 -203337.5878 2611.2207 0.0000 0.0000 52099.9909 -109669.2504 299.4194 -161769.2414 -109290.7573 298.7825 -86.0279 -57.2769 760042.9477 21.7740 21.7309 PRESSURE: 303000 -130.589 97.239 162.224 97.2394 -139.436 77.3405 162.224 77.3411 -102.262 GPRESSURE: 303000 -145.095 79.2873 196.981 26.2712 -5.95455 99.9235 188.41 -64.0449 -126.908 PRESSAVG: 303000 104.741 -19.3845 16.9303 -19.3845 -69.3253 6.53363 16.9303 6.5336 -1.05348 GPRESSAVG: 303000 104.811 -17.3199 16.7995 -17.5882 -69.2639 7.52975 18.8211 9.67517 -1.00442 TIMING: 303000 CPU: 953.44, 0.00312336/step Wall: 953.44, 0.00312336/step, 4.07511 hours remaining, 233.726562 MB of memory in use. ENERGY: 303000 4083.6325 20433.2618 14414.7183 246.7468 -203261.2844 2407.0331 0.0000 0.0000 52161.1968 -109514.6950 299.7711 -161675.8918 -109156.5917 299.2090 -124.0955 -92.6527 759418.0341 11.4542 11.5143 PRESSURE: 303200 -382.836 -207.386 -198.901 -207.386 -382.194 -23.0726 -198.9 -23.0726 -88.0088 GPRESSURE: 303200 -365.98 -378.356 -112.365 -65.4772 -366.569 -90.4487 -200.929 32.9329 -30.1333 PRESSAVG: 303200 49.4174 -48.9681 16.3803 -48.968 -104.969 -30.2932 16.3803 -30.2931 20.0095 GPRESSAVG: 303200 49.4433 -51.8572 17.5669 -48.4073 -105.787 -29.1145 14.6988 -32.7458 20.9739 TIMING: 303200 CPU: 954.066, 0.00313208/step Wall: 954.066, 0.00313208/step, 4.08632 hours remaining, 233.726562 MB of memory in use. ENERGY: 303200 4082.4753 20413.2677 14354.7910 245.8872 -202854.1267 2362.5529 0.0000 0.0000 51768.2448 -109626.9078 297.5128 -161395.1525 -109269.1521 299.0569 -284.3464 -254.2274 761783.0136 -11.8475 -11.7899 PRESSURE: 303400 262.994 136.732 -143.054 136.733 -541.08 -152.827 -143.054 -152.827 -228.879 GPRESSURE: 303400 218.912 26.8707 -36.4055 162.699 -471.426 -158.5 -168.944 -175.117 -168.021 PRESSAVG: 303400 40.5733 -62.6167 34.2386 -62.6168 -29.7115 -24.3043 34.2386 -24.3043 -25.0613 GPRESSAVG: 303400 39.2689 -59.9083 34.7439 -64.1687 -28.166 -26.4032 32.475 -23.7623 -25.2645 TIMING: 303400 CPU: 954.698, 0.0031564/step Wall: 954.698, 0.0031564/step, 4.11787 hours remaining, 233.726562 MB of memory in use. ENERGY: 303400 4002.2976 20580.0979 14379.6160 247.9855 -202724.0054 2091.0262 0.0000 0.0000 51991.5259 -109431.4563 298.7960 -161422.9822 -109084.3625 299.0259 -168.9884 -140.1785 761855.9161 -4.7331 -4.7205 PRESSURE: 303600 -55.588 95.0156 113.352 95.0153 -200.333 16.5251 113.352 16.5245 78.4171 GPRESSURE: 303600 25.4946 287.917 52.0777 108.253 -176.907 -35.9805 20.7882 25.9874 41.4309 PRESSAVG: 303600 -2.67933 -20.613 66.7864 -20.613 -12.9187 23.6282 66.7864 23.6282 18.2692 GPRESSAVG: 303600 -2.9729 -21.0093 65.955 -18.5829 -13.3543 24.144 66.4612 24.0265 18.8352 TIMING: 303600 CPU: 955.327, 0.0031486/step Wall: 955.327, 0.0031486/step, 4.10752 hours remaining, 233.726562 MB of memory in use. ENERGY: 303600 3991.5122 20646.0800 14384.6517 237.5817 -203289.7223 2485.4649 0.0000 0.0000 51956.9480 -109587.4836 298.5973 -161544.4317 -109230.7274 298.9751 -59.1678 -36.6606 761164.3456 0.8904 0.8360 PRESSURE: 303800 -93.1679 10.4981 6.35808 10.4981 285.974 -224.073 6.35754 -224.073 -13.1081 GPRESSURE: 303800 -91.7205 30.613 8.79951 9.87396 340.873 -274.21 -7.09708 -99.0915 4.71124 PRESSAVG: 303800 27.3247 27.0645 -12.8071 27.0645 -45.2055 25.95 -12.807 25.9499 -22.0736 GPRESSAVG: 303800 27.6251 27.1339 -11.0049 26.2821 -44.8964 24.1524 -14.2298 27.6149 -22.7509 TIMING: 303800 CPU: 955.956, 0.00314342/step Wall: 955.956, 0.00314342/step, 4.1006 hours remaining, 233.726562 MB of memory in use. ENERGY: 303800 4021.3883 20357.9507 14410.0502 239.6588 -203850.4336 2766.4111 0.0000 0.0000 52289.4703 -109765.5042 300.5083 -162054.9746 -109396.7345 299.0310 59.8992 84.6212 760314.8260 -13.3181 -13.3407 PRESSURE: 304000 39.3255 -6.2754 -56.015 -6.27567 -95.7719 234.051 -56.0152 234.052 266.222 GPRESSURE: 304000 28.7496 17.2856 -35.774 -97.5283 -48.973 229.722 39.9997 193.956 312.771 PRESSAVG: 304000 9.20138 -14.396 13.2542 -14.396 -34.9873 -23.6676 13.2543 -23.6677 9.22095 GPRESSAVG: 304000 9.48646 -14.7021 11.4269 -14.2696 -36.2572 -21.5811 16.1722 -24.2331 10.2852 TIMING: 304000 CPU: 956.582, 0.00313057/step Wall: 956.582, 0.00313057/step, 4.08366 hours remaining, 233.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 304000 3968.0997 20460.3860 14456.1761 238.7038 -202969.7356 2581.3416 0.0000 0.0000 51787.5325 -109477.4959 297.6237 -161265.0284 -109122.8036 298.6775 69.9250 97.5158 761502.0454 -5.5217 -5.4952 PRESSURE: 304200 431.712 5.78124 102.859 5.78207 217.717 -75.5516 102.858 -75.5511 32.4487 GPRESSURE: 304200 444.618 161.288 48.8926 17.3508 247.202 -82.8652 64.3658 -68.3685 60.8318 PRESSAVG: 304200 65.2943 -29.9034 46.5158 -29.9035 -28.3635 30.0989 46.5158 30.099 -7.57334 GPRESSAVG: 304200 65.5015 -29.9413 46.4099 -30.2305 -28.4428 28.8693 47.2607 29.1595 -8.12129 TIMING: 304200 CPU: 957.211, 0.0031428/step Wall: 957.211, 0.0031428/step, 4.09943 hours remaining, 233.726562 MB of memory in use. ENERGY: 304200 4034.8237 20453.9206 14366.4704 249.4594 -203150.4878 2584.0370 0.0000 0.0000 52089.4032 -109372.3736 299.3585 -161461.7767 -109010.7195 299.6659 227.2927 250.8842 758269.3738 9.7858 9.6458 LDB: ============= START OF LOAD BALANCING ============== 969.607 LDB: ============== END OF LOAD BALANCING =============== 969.607 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 969.609 LDB: ============= START OF LOAD BALANCING ============== 969.923 LDB: Largest compute 7026 load 0.031946 is 16.3% of average load 0.195655 LDB: Average compute 0.004383 is 2.2% of average load 0.195655 LDB: TIME 969.927 LOAD: AVG 0.195655 MAX 0.215265 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 969.927 LOAD: AVG 0.195655 MAX 0.215265 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.125 MB LDB: TIME 969.927 LOAD: AVG 0.195655 MAX 0.215265 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.125 MB LDB: ============== END OF LOAD BALANCING =============== 969.929 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 969.934 PRESSURE: 304400 87.6883 -181.183 56.7608 -181.184 110.066 100.314 56.7606 100.313 101.776 GPRESSURE: 304400 108.845 -118.456 229.645 -105.749 114.614 132.397 26.4754 104.265 135.858 PRESSAVG: 304400 43.7419 -48.0433 45.7013 -48.0433 -18.4528 -12.5423 45.7014 -12.5423 -3.06438 GPRESSAVG: 304400 43.3268 -49.6236 46.3316 -47.8594 -18.3601 -11.235 43.7331 -12.8614 -2.79747 TIMING: 304400 CPU: 957.851, 0.00320287/step Wall: 957.851, 0.00320287/step, 4.17762 hours remaining, 232.785156 MB of memory in use. ENERGY: 304400 3909.3840 20513.8624 14321.0931 244.5041 -203145.8384 2454.3352 0.0000 0.0000 52339.2540 -109363.4056 300.7944 -161702.6596 -109010.1702 299.7393 99.8436 119.7722 760806.2947 7.4082 7.3897 PRESSURE: 304600 -564.169 86.3748 -247.439 86.3752 -378.796 -49.2734 -247.439 -49.274 -423.933 GPRESSURE: 304600 -515.613 134.304 -104.643 104.046 -336.794 -3.25661 -253.004 -39.5526 -432.489 PRESSAVG: 304600 15.6721 -74.3569 23.1189 -74.3569 -68.3841 -32.5191 23.1189 -32.5191 -13.5281 GPRESSAVG: 304600 14.9752 -71.365 24.5325 -74.2465 -67.3771 -33.1171 23.0246 -33.7579 -13.845 TIMING: 304600 CPU: 958.483, 0.00315835/step Wall: 958.483, 0.00315836/step, 4.11937 hours remaining, 232.851562 MB of memory in use. ENERGY: 304600 3990.9823 20545.7561 14409.8886 242.6760 -202895.4991 2082.2016 0.0000 0.0000 51892.4068 -109731.5878 298.2264 -161623.9946 -109368.4538 299.1566 -455.6328 -428.2987 761567.2590 -22.0800 -22.0823 PRESSURE: 304800 -33.876 -102.717 -42.6764 -102.717 -151.882 -312.188 -42.6766 -312.186 208.18 GPRESSURE: 304800 40.5045 -3.32928 -14.3159 -97.3508 -151.184 -244.002 -44.6924 -208.738 198.458 PRESSAVG: 304800 11.6934 -35.7967 -1.64463 -35.7966 -28.4391 11.6489 -1.64464 11.6489 -18.6212 GPRESSAVG: 304800 14.9687 -37.8658 -1.60777 -35.376 -30.4491 11.2058 -1.99947 13.3468 -19.7267 TIMING: 304800 CPU: 959.119, 0.00318241/step Wall: 959.119, 0.00318241/step, 4.15057 hours remaining, 232.875000 MB of memory in use. ENERGY: 304800 4010.9903 20484.4293 14332.7709 243.0012 -203478.6670 2370.2889 0.0000 0.0000 52172.1217 -109865.0647 299.8339 -162037.1864 -109491.9292 299.1640 7.4739 29.2594 759871.0342 -11.7890 -11.7357 PRESSURE: 305000 215.731 234.57 -91.1714 234.571 -100.249 -71.5753 -91.1714 -71.5756 -169.949 GPRESSURE: 305000 137.83 275.971 -18.9458 122.361 11.9092 -120.88 -19.6182 -91.4985 -123.797 PRESSAVG: 305000 5.23919 -42.0354 -58.3702 -42.0354 -21.9033 -32.0408 -58.3702 -32.0408 3.53089 GPRESSAVG: 305000 1.98343 -41.3167 -59.1007 -43.3684 -19.8463 -32.3308 -57.0408 -32.7428 4.48562 TIMING: 305000 CPU: 959.754, 0.00317167/step Wall: 959.754, 0.00317167/step, 4.13639 hours remaining, 232.875000 MB of memory in use. ENERGY: 305000 4009.1511 20600.3683 14420.3966 239.3828 -203330.2169 2374.5657 0.0000 0.0000 51984.3839 -109701.9685 298.7550 -161686.3524 -109337.4927 298.7163 -18.1556 8.6473 760875.6508 -4.3777 -4.4591 PRESSURE: 305200 119.949 -131.188 109.697 -131.188 -258.874 -27.5747 109.696 -27.5748 133.746 GPRESSURE: 305200 212.673 -123.899 164.336 -25.5744 -301.259 -58.5373 -48.6141 -51.7209 174.578 PRESSAVG: 305200 69.6338 -38.32 4.22515 -38.32 -58.6015 -17.1989 4.2251 -17.1988 -15.6169 GPRESSAVG: 305200 70.9402 -36.8945 3.07914 -38.6802 -59.2319 -16.9435 2.16146 -18.0971 -16.2813 TIMING: 305200 CPU: 960.388, 0.00317213/step Wall: 960.388, 0.00317213/step, 4.13681 hours remaining, 232.875000 MB of memory in use. ENERGY: 305200 3964.0262 20627.3876 14410.8054 227.1006 -203381.1901 2384.2364 0.0000 0.0000 52127.4391 -109640.1948 299.5771 -161767.6339 -109280.1753 299.7102 -1.7263 28.6642 760028.4726 -1.5282 -1.5244 PRESSURE: 305400 128.287 -168.711 -152.485 -168.711 157.056 -275.598 -152.485 -275.598 45.9503 GPRESSURE: 305400 202.607 -130.939 -204.472 -191.27 165.16 -187.167 -115.101 -245.117 74.8425 PRESSAVG: 305400 -1.79624 -55.7025 5.13701 -55.7025 -10.5056 -10.2677 5.13699 -10.2677 -4.95265 GPRESSAVG: 305400 -0.897922 -59.8221 5.10177 -53.9784 -10.8232 -10.2566 7.17451 -9.58429 -5.25705 TIMING: 305400 CPU: 961.022, 0.00317079/step Wall: 961.022, 0.00317079/step, 4.13488 hours remaining, 232.875000 MB of memory in use. ENERGY: 305400 3977.3842 20487.5790 14357.6537 232.3890 -203880.7569 2928.7524 0.0000 0.0000 52162.4026 -109734.5960 299.7780 -161896.9986 -109367.2763 299.0881 110.4309 147.5367 759272.3219 -5.7515 -5.6594 PRESSURE: 305600 -244.463 -48.5199 -35.0509 -48.5194 -126.502 180.259 -35.0515 180.26 36.5629 GPRESSURE: 305600 -52.1116 62.6857 -13.2698 -38.6187 -162.865 232.916 -31.3312 154.876 -25.5944 PRESSAVG: 305600 -86.9993 -77.9935 39.5211 -77.9935 87.3652 6.8318 39.521 6.83175 -3.59238 GPRESSAVG: 305600 -85.2294 -78.2705 40.1475 -76.8888 86.5186 7.23695 40.4766 6.45282 -4.02579 TIMING: 305600 CPU: 961.656, 0.00316753/step Wall: 961.656, 0.00316753/step, 4.13046 hours remaining, 232.875000 MB of memory in use. ENERGY: 305600 4042.4355 20318.0252 14393.0799 247.8088 -203180.1837 2443.4600 0.0000 0.0000 51997.8047 -109737.5696 298.8321 -161735.3743 -109386.9029 299.0807 -111.4672 -80.1902 759328.6946 -1.0755 -0.9122 PRESSURE: 305800 19.7201 -255.574 3.19309 -255.575 -239.047 168.373 3.19153 168.371 -328.988 GPRESSURE: 305800 34.0264 -249.313 76.9806 -198.153 -173.102 174.02 -59.9523 165.676 -320.853 PRESSAVG: 305800 8.90519 -92.3646 -12.8258 -92.3646 -7.37702 32.5423 -12.8257 32.5423 -0.017341 GPRESSAVG: 305800 5.8958 -90.1299 -13.4444 -93.6941 -7.428 33.2778 -13.8389 33.8591 2.85439 TIMING: 305800 CPU: 962.292, 0.00317987/step Wall: 962.292, 0.00317987/step, 4.14638 hours remaining, 232.875000 MB of memory in use. ENERGY: 305800 3916.4019 20484.7820 14466.4281 244.8391 -203310.5890 2273.4061 0.0000 0.0000 51979.7607 -109944.9711 298.7284 -161924.7318 -109589.9122 298.7389 -182.7719 -153.3095 759780.9350 0.5036 0.4407 PRESSURE: 306000 -61.7457 33.5412 -31.3353 33.5411 115.432 207.128 -31.3357 207.128 -131.92 GPRESSURE: 306000 47.9058 103.569 -116.968 63.5408 119.231 140.761 28.9232 211.734 -151.169 PRESSAVG: 306000 -14.5273 -62.9217 -14.9793 -62.9217 4.02064 -11.8098 -14.9793 -11.8098 11.3001 GPRESSAVG: 306000 -12.7999 -63.5556 -15.6695 -61.2147 3.65643 -12.4905 -15.7102 -14.482 10.2142 TIMING: 306000 CPU: 962.921, 0.00314643/step Wall: 962.921, 0.00314643/step, 4.10259 hours remaining, 232.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 306000 3984.5350 20464.9843 14385.8991 229.9985 -202751.7367 2122.4065 0.0000 0.0000 51701.0830 -109862.8304 297.1268 -161563.9134 -109509.9740 298.9488 -26.0780 5.3226 759844.3950 0.2645 0.3569 PRESSURE: 306200 -6.67724 -80.5064 -42.7782 -80.5064 130.928 -61.8086 -42.7773 -61.8092 205.289 GPRESSURE: 306200 -12.1708 -49.5368 44.6155 -77.3865 178.084 -0.422139 -38.0235 56.3218 248.585 PRESSAVG: 306200 18.8909 -26.7295 -1.98647 -26.7295 47.2569 -20.7251 -1.98646 -20.7252 16.1588 GPRESSAVG: 306200 18.2664 -26.8522 -0.0590267 -28.1185 48.118 -20.7275 -0.50318 -18.124 15.893 TIMING: 306200 CPU: 963.547, 0.00313006/step Wall: 963.547, 0.00313006/step, 4.08107 hours remaining, 232.875000 MB of memory in use. ENERGY: 306200 3950.5930 20384.9525 14403.8912 239.6930 -203305.4839 2501.3146 0.0000 0.0000 52075.1875 -109749.8522 299.2768 -161825.0396 -109385.8496 298.6868 109.8463 138.1660 758894.5805 27.4356 27.4258 PRESSURE: 306400 -205.005 69.341 259.554 69.3411 46.2615 88.999 259.553 88.9992 -16.4935 GPRESSURE: 306400 -134.213 115.231 230.717 182.506 81.8035 109.048 239.752 -116.759 -38.6423 PRESSAVG: 306400 -14.4317 -40.3445 -25.6771 -40.3445 9.31809 14.7507 -25.6771 14.7508 -6.84656 GPRESSAVG: 306400 -15.2382 -38.4566 -26.8543 -40.3461 9.12609 17.513 -26.2357 14.1757 -6.37019 TIMING: 306400 CPU: 964.17, 0.00311509/step Wall: 964.17, 0.00311509/step, 4.06139 hours remaining, 232.875000 MB of memory in use. ENERGY: 306400 4071.1686 20456.8082 14355.0464 243.9485 -203601.4819 2595.1695 0.0000 0.0000 52087.7137 -109791.6270 299.3488 -161879.3407 -109419.5068 298.6539 -58.4122 -30.3506 759677.6649 -3.9867 -4.1608 PRESSURE: 306600 190.502 -341.258 233.897 -341.259 -97.8464 -41.0269 233.896 -41.0276 -278.497 GPRESSURE: 306600 159.132 -176.451 192.034 -329.421 -28.9371 -3.44437 207.335 -139.447 -230.164 PRESSAVG: 306600 33.3515 -6.98067 -6.84079 -6.98062 -17.1639 35.4866 -6.84078 35.4865 10.9239 GPRESSAVG: 306600 33.7233 -6.67312 -7.44056 -8.40649 -16.547 32.8996 -7.89678 35.5231 10.3165 TIMING: 306600 CPU: 964.798, 0.00314146/step Wall: 964.798, 0.00314146/step, 4.09559 hours remaining, 232.875000 MB of memory in use. ENERGY: 306600 3923.4603 20415.2779 14387.0378 242.1140 -203571.0769 2422.0588 0.0000 0.0000 52340.0840 -109841.0441 300.7992 -162181.1281 -109473.8369 298.7262 -61.9469 -33.3231 760084.3841 9.0372 9.1643 PRESSURE: 306800 -233.344 237.641 -103.732 237.641 -151.247 -149.796 -103.732 -149.797 128.68 GPRESSURE: 306800 -162.969 336.683 -57.4074 161.01 -189.86 -101.382 -151.475 -143.787 167.381 PRESSAVG: 306800 2.63548 2.59354 46.0259 2.59365 -61.0935 -39.4513 46.0258 -39.4513 -7.95846 GPRESSAVG: 306800 3.19488 1.69736 43.9322 4.45909 -61.7816 -38.2314 45.7308 -39.8995 -8.70848 TIMING: 306800 CPU: 965.424, 0.00312873/step Wall: 965.424, 0.00312873/step, 4.07882 hours remaining, 232.875000 MB of memory in use. ENERGY: 306800 4009.4664 20461.7589 14461.3442 245.9868 -203112.8943 2252.1327 0.0000 0.0000 51872.2018 -109810.0035 298.1103 -161682.2054 -109443.0773 298.5496 -85.3037 -61.8161 761024.3366 -22.1388 -22.4317 PRESSURE: 307000 81.0824 -56.7643 -16.9537 -56.7639 45.6436 127.281 -16.9535 127.281 -34.1765 GPRESSURE: 307000 77.2219 -10.8463 41.28 -92.6876 110.615 99.9378 -23.4836 104.154 -6.32279 PRESSAVG: 307000 18.2746 -36.2251 -6.51303 -36.2251 1.41978 -1.70844 -6.51302 -1.70844 10.737 GPRESSAVG: 307000 17.5481 -35.7431 -2.89984 -36.4951 1.78715 -3.29699 -7.16948 -1.17793 10.76 TIMING: 307000 CPU: 966.051, 0.00313384/step Wall: 966.051, 0.00313384/step, 4.08531 hours remaining, 233.078125 MB of memory in use. ENERGY: 307000 3914.3417 20555.8648 14370.7828 261.1423 -203618.1011 2696.2808 0.0000 0.0000 51879.2617 -109940.4270 298.1508 -161819.6887 -109564.4439 299.1833 30.8498 60.5046 759151.4378 10.1438 10.0318 PRESSURE: 307200 179.188 158.006 137.827 158.005 99.7381 98.1615 137.826 98.1603 30.3737 GPRESSURE: 307200 279.512 177.024 131.9 145.466 161.564 90.395 183.763 111.171 -51.6805 PRESSAVG: 307200 23.1008 -26.5628 -2.62271 -26.5628 -15.6339 -8.75169 -2.62272 -8.7517 -11.5787 GPRESSAVG: 307200 22.1433 -28.0839 -3.00069 -27.0611 -15.1987 -7.76093 -2.88153 -8.34838 -10.9678 TIMING: 307200 CPU: 966.681, 0.00315069/step Wall: 966.681, 0.00315069/step, 4.1071 hours remaining, 233.078125 MB of memory in use. ENERGY: 307200 3940.9330 20393.5215 14386.6828 235.7859 -203583.4756 2815.8454 0.0000 0.0000 51910.6195 -109900.0875 298.3310 -161810.7070 -109540.6904 298.2434 103.0999 129.7983 760165.1265 -1.3706 -1.3411 PRESSURE: 307400 157.437 -75.9693 196.015 -75.9693 63.5946 -191.76 196.015 -191.76 -198.257 GPRESSURE: 307400 121.307 -77.783 193.966 -192.075 178.788 -103.383 83.2485 -182.796 -206.541 PRESSAVG: 307400 62.4738 -42.0825 10.5359 -42.0825 -41.4265 -23.7744 10.5359 -23.7745 3.42365 GPRESSAVG: 307400 63.0086 -41.0564 10.0947 -42.7265 -42.2247 -24.6582 10.9538 -22.5318 3.36618 TIMING: 307400 CPU: 967.306, 0.00312605/step Wall: 967.306, 0.00312605/step, 4.07481 hours remaining, 233.078125 MB of memory in use. ENERGY: 307400 3935.8603 20446.5650 14424.6410 254.9763 -203132.6241 2304.2056 0.0000 0.0000 51956.0730 -109810.3030 298.5923 -161766.3759 -109438.9572 298.9625 7.5915 31.1849 759388.8212 8.1570 8.0500 PRESSURE: 307600 -145.944 -105.405 187.49 -105.405 108.461 10.0814 187.49 10.0833 -26.9302 GPRESSURE: 307600 -118.539 -108.698 109.816 -104.864 159.665 32.929 113.113 25.8409 -28.2536 PRESSAVG: 307600 -3.47212 -26.431 -15.0991 -26.431 20.2414 -26.5349 -15.0991 -26.535 -20.8522 GPRESSAVG: 307600 -3.20119 -26.037 -15.3522 -27.3347 19.5543 -26.5802 -14.3965 -29.8787 -20.4115 TIMING: 307600 CPU: 967.934, 0.00313801/step Wall: 967.934, 0.00313801/step, 4.09022 hours remaining, 233.078125 MB of memory in use. ENERGY: 307600 3912.0112 20363.9683 14334.3681 253.7465 -203384.2291 2304.0016 0.0000 0.0000 52190.0645 -110026.0690 299.9370 -162216.1335 -109672.8765 299.0973 -21.4709 4.2910 760369.0950 -1.3610 -1.3528 PRESSURE: 307800 151.828 -271.127 -99.8871 -271.128 201.244 -120.038 -99.8865 -120.038 85.0289 GPRESSURE: 307800 234.472 -294.544 -121.528 -206.238 223.152 -131.989 46.7957 -81.1439 70.652 PRESSAVG: 307800 16.5957 -57.2946 34.6272 -57.2946 -57.6798 29.192 34.6273 29.1919 4.04997 GPRESSAVG: 307800 17.0829 -58.0245 34.1319 -54.7965 -57.6765 29.1838 35.6066 31.9964 3.70232 TIMING: 307800 CPU: 968.564, 0.00315264/step Wall: 968.564, 0.00315264/step, 4.10911 hours remaining, 233.078125 MB of memory in use. ENERGY: 307800 3975.5907 20358.2359 14317.7582 258.0675 -203636.9900 2672.7301 0.0000 0.0000 51947.7256 -110106.8821 298.5443 -162054.6077 -109735.3974 298.3830 146.0335 176.0921 758424.0389 -12.3447 -12.2971 PRESSURE: 308000 262.33 -62.5441 33.9361 -62.5448 -189.423 -103.339 33.9361 -103.339 204.988 GPRESSURE: 308000 275.993 87.4617 18.4034 2.8812 -125.781 -88.7494 27.7413 -227.26 222.301 PRESSAVG: 308000 9.5105 -22.3072 25.9558 -22.3072 -15.4172 -22.0055 25.9557 -22.0053 -3.55391 GPRESSAVG: 308000 9.93485 -20.0233 25.1646 -23.498 -14.8985 -23.218 25.4311 -21.2078 -4.04906 TIMING: 308000 CPU: 969.193, 0.00314409/step Wall: 969.193, 0.00314409/step, 4.0978 hours remaining, 233.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 308000 3955.1852 20416.3309 14378.2866 231.7932 -203261.0674 2415.6618 0.0000 0.0000 51777.2127 -110086.5970 297.5644 -161863.8096 -109729.5208 297.9355 92.6319 124.1709 758854.2527 -3.1536 -3.0042 PRESSURE: 308200 -231.758 -89.2702 -98.6661 -89.2692 -72.0973 118.118 -98.6653 118.117 19.176 GPRESSURE: 308200 -197.212 -26.8134 -44.2381 -96.3734 -10.0597 71.287 -157.229 209.655 28.125 PRESSAVG: 308200 -6.58682 -19.0358 -83.0476 -19.0357 26.1457 -26.3766 -83.0477 -26.3766 -5.47605 GPRESSAVG: 308200 -6.62265 -20.4123 -82.533 -19.8123 25.4156 -23.5988 -84.4357 -28.8444 -4.66168 TIMING: 308200 CPU: 969.822, 0.00314565/step Wall: 969.822, 0.00314565/step, 4.09966 hours remaining, 233.078125 MB of memory in use. ENERGY: 308200 4098.1459 20424.3907 14355.5028 256.8429 -202936.8163 2260.1029 0.0000 0.0000 51718.5788 -109823.2522 297.2274 -161541.8310 -109471.5503 298.6023 -94.8933 -59.7155 760408.0047 4.6943 4.7104 LDB: ============= START OF LOAD BALANCING ============== 982.217 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 982.218 LDB: =============== DONE WITH MIGRATION ================ 982.219 LDB: ============= START OF LOAD BALANCING ============== 982.536 LDB: Largest compute 7025 load 0.032607 is 16.7% of average load 0.195631 LDB: Average compute 0.004381 is 2.2% of average load 0.195631 LDB: TIME 982.539 LOAD: AVG 0.195631 MAX 0.213711 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 982.54 LOAD: AVG 0.195631 MAX 0.213711 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.098 MB LDB: TIME 982.54 LOAD: AVG 0.195631 MAX 0.213711 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 982.542 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 982.547 PRESSURE: 308400 59.2035 73.852 -130.655 73.8522 141.044 -1.39103 -130.655 -1.391 -8.24986 GPRESSURE: 308400 170.137 125.12 -116.274 59.9143 193.887 -126.988 -29.6351 0.724469 -93.1835 PRESSAVG: 308400 25.8588 -78.3201 20.8538 -78.3201 26.9081 24.8278 20.8538 24.8278 -3.92066 GPRESSAVG: 308400 26.7848 -77.9588 20.9893 -75.5252 27.5391 23.944 20.905 25.2163 -4.71444 TIMING: 308400 CPU: 970.464, 0.00320885/step Wall: 970.464, 0.00320885/step, 4.18185 hours remaining, 231.734375 MB of memory in use. ENERGY: 308400 3919.7304 20521.2298 14319.1367 234.3937 -203257.7371 2427.3594 0.0000 0.0000 52005.9927 -109829.8943 298.8792 -161835.8870 -109472.3377 298.6627 63.9992 90.2801 760067.9600 16.2821 16.5365 PRESSURE: 308600 304.244 -225.971 24.0062 -225.971 79.865 93.5208 24.0075 93.5214 77.6165 GPRESSURE: 308600 390.26 -165.809 86.2024 -285.687 43.0408 55.5229 -24.3474 130.459 75.912 PRESSAVG: 308600 31.7309 -14.3786 18.8504 -14.3786 -37.3812 0.433856 18.8504 0.433863 18.2074 GPRESSAVG: 308600 30.3668 -14.1527 18.4673 -17.0015 -37.2413 0.176767 19.9086 0.20657 19.0765 TIMING: 308600 CPU: 971.095, 0.00315624/step Wall: 971.095, 0.00315624/step, 4.11311 hours remaining, 231.734375 MB of memory in use. ENERGY: 308600 3992.0510 20569.6953 14310.2065 239.8312 -203986.0821 2960.4511 0.0000 0.0000 52065.0082 -109848.8389 299.2183 -161913.8471 -109495.4962 299.0528 153.9086 169.7376 760036.1722 4.1857 4.0673 PRESSURE: 308800 -154.155 -242.622 88.6973 -242.623 -137.385 -75.0114 88.6968 -75.0117 -229.576 GPRESSURE: 308800 -45.8038 -240.092 96.2861 -171.366 -146.256 -181.217 -4.88977 -29.9046 -251.631 PRESSAVG: 308800 70.1511 -56.0315 -8.44916 -56.0315 -56.3841 62.9246 -8.44915 62.9246 -3.7728 GPRESSAVG: 308800 70.7311 -55.8433 -7.06675 -54.8649 -56.781 61.8433 -7.10768 63.6743 -4.21191 TIMING: 308800 CPU: 971.725, 0.00315069/step Wall: 971.725, 0.00315069/step, 4.1057 hours remaining, 231.828125 MB of memory in use. ENERGY: 308800 3977.8275 20591.3483 14390.7716 242.1218 -203362.0301 2347.4533 0.0000 0.0000 51992.4416 -109820.0660 298.8013 -161812.5076 -109467.1963 299.3140 -173.7055 -147.8970 759886.6576 3.3314 3.2461 PRESSURE: 309000 220.613 -27.5774 275.011 -27.5775 -3.40799 33.6624 275.011 33.6619 73.5106 GPRESSURE: 309000 259.362 -51.6425 343.875 -75.737 40.7346 50.684 239.094 -51.5685 87.5682 PRESSAVG: 309000 60.9237 -13.4476 27.4027 -13.4476 -34.5071 57.008 27.4027 57.0079 7.68417 GPRESSAVG: 309000 61.1327 -14.3396 27.6121 -13.9057 -34.4647 56.3447 25.072 58.5507 7.06188 TIMING: 309000 CPU: 972.356, 0.00315379/step Wall: 972.356, 0.00315379/step, 4.10957 hours remaining, 231.828125 MB of memory in use. ENERGY: 309000 3887.4930 20478.9359 14448.0277 250.4189 -203716.6730 2650.6893 0.0000 0.0000 52288.3305 -109712.7778 300.5018 -162001.1083 -109352.0712 299.2452 96.9052 129.2215 759807.5160 11.3669 11.2433 PRESSURE: 309200 109.075 -140.368 9.79598 -140.368 265.881 20.0289 9.79575 20.0288 132.764 GPRESSURE: 309200 151.638 2.06042 22.4018 -197.192 345.339 107.55 13.4285 42.8325 101.686 PRESSAVG: 309200 27.89 -31.9986 21.6745 -31.9985 -42.2762 23.7434 21.6745 23.7434 -10.4888 GPRESSAVG: 309200 27.2781 -31.3201 21.4365 -31.912 -41.5661 25.1794 22.0084 21.9072 -10.2458 TIMING: 309200 CPU: 972.983, 0.00313406/step Wall: 972.983, 0.00313406/step, 4.08368 hours remaining, 231.828125 MB of memory in use. ENERGY: 309200 3926.1069 20513.8615 14357.6971 247.4940 -203834.1590 2829.6324 0.0000 0.0000 52154.6958 -109804.6713 299.7338 -161959.3671 -109434.6190 299.0091 169.2400 199.5543 758986.7832 -8.2917 -8.1780 PRESSURE: 309400 178.54 -97.1939 -155.435 -97.1931 -308.271 4.70615 -155.436 4.70662 -275.153 GPRESSURE: 309400 149.367 33.1315 -152.985 -72.4951 -231.446 -56.2829 -49.8725 134.117 -234.089 PRESSAVG: 309400 17.9406 9.36471 -12.9386 9.36466 -4.94724 6.82448 -12.9385 6.82449 8.03672 GPRESSAVG: 309400 17.9423 9.26977 -13.1267 8.23783 -5.0829 7.65532 -13.4937 7.61663 8.86039 TIMING: 309400 CPU: 973.617, 0.00316753/step Wall: 973.617, 0.00316753/step, 4.12712 hours remaining, 231.828125 MB of memory in use. ENERGY: 309400 3969.6364 20635.1855 14335.5705 237.3022 -203512.4886 2511.1967 0.0000 0.0000 52341.1659 -109482.4315 300.8054 -161823.5974 -109121.1850 299.9629 -134.9615 -105.3896 760046.4218 7.0100 7.2399 PRESSURE: 309600 -134.71 119.788 151.323 119.788 -611.709 34.7221 151.322 34.7224 -441.937 GPRESSURE: 309600 -156.771 7.81338 158.71 57.2756 -552.666 -91.8228 77.5615 50.0509 -407.342 PRESSAVG: 309600 -28.4014 1.34167 -22.4932 1.34165 -3.68324 -14.178 -22.4932 -14.1781 -22.2495 GPRESSAVG: 309600 -29.5939 1.02562 -23.41 2.18155 -2.10855 -15.2598 -20.3251 -15.1085 -22.3999 TIMING: 309600 CPU: 974.249, 0.00316151/step Wall: 974.249, 0.00316151/step, 4.11909 hours remaining, 231.828125 MB of memory in use. ENERGY: 309600 4109.5963 20617.1244 14438.1356 251.7846 -203021.6762 2049.9718 0.0000 0.0000 52097.9335 -109457.1300 299.4075 -161555.0635 -109099.6009 299.9995 -396.1183 -372.2600 761842.3202 -18.1114 -18.0341 PRESSURE: 309800 -160.49 53.7005 -395.299 53.6999 51.1035 -104.701 -395.299 -104.702 -106.324 GPRESSURE: 309800 -143.502 71.4626 -417.605 64.5604 160.386 -154.27 -318.198 -84.2389 -147.354 PRESSAVG: 309800 -39.3234 -5.55885 9.74195 -5.55884 49.9149 39.3662 9.74195 39.3663 -13.6938 GPRESSAVG: 309800 -38.5135 -5.15575 9.43486 -7.1155 50.2609 40.7998 7.79444 40.1805 -14.1945 TIMING: 309800 CPU: 974.882, 0.003167/step Wall: 974.882, 0.003167/step, 4.12607 hours remaining, 231.828125 MB of memory in use. ENERGY: 309800 3989.4390 20466.3288 14413.8913 257.5831 -203629.1764 2695.6269 0.0000 0.0000 52171.6547 -109634.6526 299.8312 -161806.3074 -109265.0199 299.7029 -71.9036 -43.4903 759919.5534 -1.0341 -0.8157 PRESSURE: 310000 353.185 204.194 -279.245 204.194 389.716 52.5864 -279.245 52.5857 -36.4216 GPRESSURE: 310000 510.896 134.348 -211.008 227.644 290.491 -37.4327 -400.337 -92.1585 -6.86601 PRESSAVG: 310000 -52.5913 -38.0935 4.72579 -38.0936 66.8768 6.06296 4.7258 6.063 20.3675 GPRESSAVG: 310000 -50.8254 -38.4026 4.37735 -36.9795 65.4219 4.11999 4.60457 5.39727 20.5336 TIMING: 310000 CPU: 975.516, 0.00317028/step Wall: 975.516, 0.00317028/step, 4.13017 hours remaining, 231.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 310000 4031.0078 20588.7450 14394.4656 250.6347 -203962.7877 2756.7026 0.0000 0.0000 52087.4226 -109853.8094 299.3471 -161941.2320 -109484.8104 299.4021 235.4933 264.8405 757691.5033 11.5510 11.7100 PRESSURE: 310200 149.494 0.662597 -144.291 0.662393 107.563 -162.411 -144.291 -162.41 -81.3959 GPRESSURE: 310200 180.004 45.4926 -115.94 42.3472 89.6758 -61.9505 -41.0279 -86.3079 -1.83423 PRESSAVG: 310200 -38.9757 -37.0459 23.4986 -37.0459 6.28661 -3.17086 23.4986 -3.17083 3.66326 GPRESSAVG: 310200 -39.6151 -37.6652 23.3678 -36.3706 5.92206 -2.46501 25.955 -2.75129 4.64919 TIMING: 310200 CPU: 976.147, 0.00315348/step Wall: 976.147, 0.00315348/step, 4.10811 hours remaining, 231.828125 MB of memory in use. ENERGY: 310200 3938.6974 20482.5438 14417.9025 245.1993 -203905.3959 2721.9311 0.0000 0.0000 52241.0493 -109858.0725 300.2300 -162099.1218 -109479.4844 299.4597 58.5537 89.2819 759835.6728 -9.6753 -9.6813 PRESSURE: 310400 -431.821 -188.296 39.1411 -188.295 37.2063 -195.354 39.1412 -195.354 -72.5336 GPRESSURE: 310400 -393.58 -117.251 68.1948 -215.157 6.42583 -130.701 53.1324 -230.684 -18.0453 PRESSAVG: 310400 -69.9639 -46.1622 33.3474 -46.1622 54.3685 -20.8885 33.3475 -20.8885 -6.73945 GPRESSAVG: 310400 -70.1722 -44.0589 34.6942 -46.3621 55.3867 -19.5222 31.8449 -21.8879 -7.34298 TIMING: 310400 CPU: 976.778, 0.00315531/step Wall: 976.778, 0.00315531/step, 4.11032 hours remaining, 231.828125 MB of memory in use. ENERGY: 310400 3911.9874 20632.7965 14425.2129 243.1340 -203108.5655 2267.4173 0.0000 0.0000 51927.6626 -109700.3548 298.4290 -161628.0174 -109340.1767 299.5028 -155.7161 -135.0666 759423.9192 -7.4449 -7.3762 PRESSURE: 310600 245.978 -37.2173 -133.852 -37.2168 253.332 -134.066 -133.852 -134.067 -29.5933 GPRESSURE: 310600 357.457 -39.1734 -159.512 -47.7943 274.806 -74.6631 -136.393 -75.2409 -87.0211 PRESSAVG: 310600 16.9267 -46.4674 -42.7866 -46.4674 40.586 -11.8069 -42.7866 -11.807 13.571 GPRESSAVG: 310600 15.9495 -48.0108 -42.6764 -47.2312 40.6019 -12.6279 -45.2657 -11.0401 14.6172 TIMING: 310600 CPU: 977.409, 0.00315537/step Wall: 977.409, 0.00315537/step, 4.11022 hours remaining, 231.828125 MB of memory in use. ENERGY: 310600 4037.2962 20655.1699 14474.2243 247.6312 -203524.0726 2579.9420 0.0000 0.0000 52030.7623 -109499.0467 299.0215 -161529.8089 -109148.2965 299.6514 156.5724 181.7473 760298.6306 23.6946 23.7229 PRESSURE: 310800 458.972 52.5708 0.932586 52.5711 354.022 145.089 0.932802 145.088 310.504 GPRESSURE: 310800 458.387 -11.4601 10.4317 89.0062 397.99 133.926 -60.8452 102.841 346.173 PRESSAVG: 310800 -34.9316 -53.179 -13.0568 -53.179 38.3785 14.9846 -13.0568 14.9846 -13.6802 GPRESSAVG: 310800 -33.9763 -52.4666 -13.9261 -53.7403 37.5776 17.2273 -10.5399 15.7581 -14.0924 TIMING: 310800 CPU: 978.037, 0.00314162/step Wall: 978.037, 0.00314162/step, 4.09214 hours remaining, 231.828125 MB of memory in use. ENERGY: 310800 3994.1943 20745.5989 14410.7079 250.1793 -204283.1794 3250.3783 0.0000 0.0000 52262.1749 -109369.9457 300.3514 -161632.1206 -109008.7176 300.0832 374.4994 400.8500 759082.0573 -3.4111 -3.4970 PRESSURE: 311000 -170.639 -148.319 150.632 -148.319 368.527 148.468 150.632 148.469 -455.002 GPRESSURE: 311000 -150.404 -114.532 70.4261 -184.64 355.685 91.1883 187.721 248.587 -358.579 PRESSAVG: 311000 -88.5958 -17.8114 23.6954 -17.8114 29.7183 33.8123 23.6954 33.8124 18.7603 GPRESSAVG: 311000 -88.4493 -18.1001 23.3544 -16.9567 30.7676 32.027 24.3494 32.9024 17.2599 TIMING: 311000 CPU: 978.665, 0.00313581/step Wall: 978.665, 0.00313581/step, 4.0844 hours remaining, 231.828125 MB of memory in use. ENERGY: 311000 3972.1367 20599.5139 14416.2396 257.6718 -203446.2498 2591.1194 0.0000 0.0000 52393.4587 -109216.1098 301.1059 -161609.5684 -108851.5985 300.1003 -85.7045 -51.0995 760153.4118 -13.3724 -13.4740 PRESSURE: 311200 -264.855 263.567 -110.869 263.567 231.692 -123.232 -110.87 -123.233 179.751 GPRESSURE: 311200 -207.734 176.711 -101.299 171.289 226.573 -178.778 -96.0793 -96.5862 224.021 PRESSAVG: 311200 -2.54037 -9.4161 -28.8992 -9.41608 8.2446 -5.88322 -28.8991 -5.88324 -10.7853 GPRESSAVG: 311200 -1.82318 -9.49536 -28.9785 -9.06025 7.20893 -7.52619 -29.1654 -6.30925 -10.1904 TIMING: 311200 CPU: 979.294, 0.00314843/step Wall: 979.294, 0.00314844/step, 4.10066 hours remaining, 231.828125 MB of memory in use. ENERGY: 311200 3988.2548 20580.7650 14369.9044 248.9696 -203437.3579 2534.5812 0.0000 0.0000 52177.9658 -109536.9170 299.8675 -161714.8829 -109178.3633 299.9183 48.8626 80.9534 760581.3163 -1.6937 -1.6016 PRESSURE: 311400 -110.965 66.9859 157.505 66.9867 221.915 131.11 157.506 131.109 179.987 GPRESSURE: 311400 39.9915 113.484 247.08 70.9331 315.427 147.458 -59.1559 162.555 53.8618 PRESSAVG: 311400 -55.984 -31.0664 18.1224 -31.0664 31.9754 -5.79893 18.1224 -5.79898 -5.79716 GPRESSAVG: 311400 -56.918 -31.122 18.253 -33.1155 33.1901 -4.74121 16.7592 -4.37189 -6.17509 TIMING: 311400 CPU: 979.925, 0.00315311/step Wall: 979.925, 0.00315311/step, 4.10658 hours remaining, 231.828125 MB of memory in use. ENERGY: 311400 3873.0026 20521.6607 14453.9082 249.8794 -203436.7420 2611.8393 0.0000 0.0000 52218.4706 -109507.9813 300.1003 -161726.4519 -109164.6805 299.6744 96.9790 136.4267 760806.4693 -9.9353 -9.9676 PRESSURE: 311600 -218.535 -84.7206 -352.136 -84.72 -14.831 148.798 -352.136 148.797 281.581 GPRESSURE: 311600 -117.769 -27.8898 -321.361 10.469 7.37704 119.538 -270.462 56.4909 244.683 PRESSAVG: 311600 -32.2826 -53.4783 -8.7804 -53.4783 20.5068 19.6654 -8.78042 19.6655 8.01936 GPRESSAVG: 311600 -31.5631 -52.7643 -7.66123 -51.5974 19.483 18.2405 -9.1237 22.1043 8.1132 TIMING: 311600 CPU: 980.555, 0.00314811/step Wall: 980.555, 0.00314811/step, 4.09989 hours remaining, 231.828125 MB of memory in use. ENERGY: 311600 4047.0999 20426.4977 14499.8010 242.9263 -203570.6781 2689.6256 0.0000 0.0000 52343.0307 -109321.6968 300.8161 -161664.7275 -108964.4111 299.5919 16.0719 44.7637 760047.9931 -1.2521 -1.3223 PRESSURE: 311800 -330.406 -89.4848 163.04 -89.4847 -374.544 -151.815 163.04 -151.816 -157.729 GPRESSURE: 311800 -323.207 -146.781 92.4841 -52.8221 -290.485 -77.4119 200.814 -123.037 -153.51 PRESSAVG: 311800 0.285671 -18.0281 20.3843 -18.028 -0.420384 25.9414 20.3843 25.9413 -37.6764 GPRESSAVG: 311800 -0.663095 -18.2565 18.0055 -18.1872 0.580876 26.8814 22.42 25.0407 -37.2666 TIMING: 311800 CPU: 981.188, 0.00316786/step Wall: 981.188, 0.00316786/step, 4.12544 hours remaining, 231.828125 MB of memory in use. ENERGY: 311800 3991.8402 20491.2415 14513.7546 231.3960 -203002.8602 2240.1553 0.0000 0.0000 52098.5397 -109435.9330 299.4110 -161534.4727 -109065.8498 299.7876 -287.5597 -255.7340 759626.6365 -12.6037 -12.4496 PRESSURE: 312000 353.257 275.962 -48.6651 275.962 164.224 255.53 -48.6645 255.531 175.24 GPRESSURE: 312000 321.015 239.474 -133.996 276.623 175.462 191.369 -128.983 124.308 254.91 PRESSAVG: 312000 -6.6335 11.6921 -50.694 11.6921 33.0911 61.1895 -50.694 61.1896 29.3192 GPRESSAVG: 312000 -7.3793 11.7084 -48.9466 10.3285 32.8486 60.8233 -52.5874 61.0348 29.9919 TIMING: 312000 CPU: 981.817, 0.00314233/step Wall: 981.817, 0.00314234/step, 4.09202 hours remaining, 231.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 312000 3971.9582 20666.9097 14444.5687 243.4246 -203386.6279 2539.4122 0.0000 0.0000 52022.9960 -109497.3585 298.9769 -161520.3544 -109134.2340 300.0515 230.9072 250.4621 759169.8208 18.5923 18.4871 PRESSURE: 312200 -452.273 59.582 84.8654 59.5822 -611.413 -56.6687 84.8666 -56.6694 -142.301 GPRESSURE: 312200 -386.279 -51.3739 48.2586 -39.1809 -569.452 -118.714 57.8695 44.4884 -142.21 PRESSAVG: 312200 -12.1389 -19.0513 9.16639 -19.0513 -6.7625 31.3249 9.16646 31.3249 -6.93758 GPRESSAVG: 312200 -10.9478 -17.9745 9.0889 -19.213 -6.67569 32.6066 10.0215 29.4957 -7.5833 TIMING: 312200 CPU: 982.444, 0.00313773/step Wall: 982.444, 0.00313773/step, 4.08585 hours remaining, 231.828125 MB of memory in use. ENERGY: 312200 3964.2257 20553.7006 14504.6938 238.9947 -203023.2839 2127.9875 0.0000 0.0000 52191.6740 -109442.0075 299.9463 -161633.6816 -109070.7862 300.2914 -401.9957 -365.9804 761047.4798 -8.6130 -8.4023 LDB: ============= START OF LOAD BALANCING ============== 994.844 LDB: ============== END OF LOAD BALANCING =============== 994.844 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 994.845 LDB: ============= START OF LOAD BALANCING ============== 995.162 LDB: Largest compute 7045 load 0.031656 is 16.2% of average load 0.195603 LDB: Average compute 0.004386 is 2.2% of average load 0.195603 LDB: TIME 995.166 LOAD: AVG 0.195603 MAX 0.215721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.426 MB LDB: TIME 995.167 LOAD: AVG 0.195603 MAX 0.215721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.43 MB LDB: TIME 995.167 LOAD: AVG 0.195603 MAX 0.215721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.43 MB LDB: ============== END OF LOAD BALANCING =============== 995.169 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 995.174 PRESSURE: 312400 227.059 -53.7321 109.356 -53.7331 -21.7878 181.829 109.356 181.829 -74.5949 GPRESSURE: 312400 239.644 -159.983 -43.1657 -67.3895 34.0767 151.911 121.672 166.798 -62.7947 PRESSAVG: 312400 34.3775 -38.5431 -30.5297 -38.5432 -31.0037 18.3771 -30.5297 18.377 10.8082 GPRESSAVG: 312400 33.6368 -39.561 -30.1344 -38.654 -30.725 17.0313 -30.2014 18.4813 11.736 TIMING: 312400 CPU: 983.091, 0.00323604/step Wall: 983.091, 0.00323604/step, 4.21369 hours remaining, 231.480469 MB of memory in use. ENERGY: 312400 3987.5409 20502.8266 14426.2133 267.7311 -203847.9524 2720.9817 0.0000 0.0000 52310.7671 -109631.8917 300.6307 -161942.6588 -109265.6102 299.8787 43.5589 70.3088 759719.4788 4.7273 4.8826 PRESSURE: 312600 -360.047 -94.2287 119.38 -94.2295 172.229 164.925 119.379 164.925 18.533 GPRESSURE: 312600 -245.889 31.1511 94.657 -67.0303 115.187 279.237 85.0775 165.853 29.22 PRESSAVG: 312600 71.7294 -2.25045 25.0463 -2.25048 -86.6019 21.762 25.0462 21.762 8.32644 GPRESSAVG: 312600 73.1726 -1.69794 24.3764 -2.14656 -86.7329 22.6856 22.5102 24.4843 6.81946 TIMING: 312600 CPU: 983.724, 0.00316553/step Wall: 983.724, 0.00316553/step, 4.12169 hours remaining, 231.722656 MB of memory in use. ENERGY: 312600 4027.0583 20533.9231 14479.9332 254.6932 -203648.2087 2450.4248 0.0000 0.0000 52146.8131 -109755.3629 299.6885 -161902.1760 -109393.7684 299.5451 -56.4283 -33.8275 760971.8824 -2.1820 -2.2470 PRESSURE: 312800 -60.3055 94.757 -54.0389 94.7565 143.803 38.0395 -54.0381 38.0395 -22.1905 GPRESSURE: 312800 -2.39414 24.7946 -117.832 164.25 86.8598 68.0754 -88.787 8.58835 68.5297 PRESSAVG: 312800 -28.9101 -23.2505 -21.2237 -23.2505 2.69577 -22.5693 -21.2237 -22.5694 1.66845 GPRESSAVG: 312800 -30.1377 -24.0488 -20.5574 -22.9855 2.57629 -21.1165 -20.5561 -24.6682 3.10094 TIMING: 312800 CPU: 984.357, 0.00316425/step Wall: 984.357, 0.00316425/step, 4.11985 hours remaining, 231.722656 MB of memory in use. ENERGY: 312800 4053.6662 20668.6606 14414.5635 251.0642 -204241.1228 2788.2143 0.0000 0.0000 52218.8132 -109846.1407 300.1022 -162064.9539 -109484.0166 299.4953 20.4357 50.9984 761176.1165 -8.1820 -8.1535 PRESSURE: 313000 -156.186 -77.2933 -152.799 -77.293 -465.981 118.143 -152.799 118.143 78.3723 GPRESSURE: 313000 -221.855 -71.2287 -151.195 -126.59 -293.915 218.666 -96.332 12.6878 63.9576 PRESSAVG: 313000 -3.98407 -63.9848 -57.0813 -63.9848 -14.1623 41.3582 -57.0814 41.3582 -31.5718 GPRESSAVG: 313000 -4.54088 -64.8559 -57.3138 -62.0771 -13.5724 39.2843 -57.3098 41.8835 -31.8837 TIMING: 313000 CPU: 984.99, 0.00316481/step Wall: 984.99, 0.00316481/step, 4.12041 hours remaining, 231.722656 MB of memory in use. ENERGY: 313000 4040.8701 20514.5793 14461.0197 251.7267 -203116.6114 2145.4761 0.0000 0.0000 51961.8466 -109741.0930 298.6254 -161702.9395 -109371.4226 298.8948 -181.2650 -150.6041 760869.8067 -16.5727 -16.6657 PRESSURE: 313200 315.905 -34.135 -67.7943 -34.1365 4.44558 -44.6783 -67.7945 -44.6773 -151.303 GPRESSURE: 313200 265.547 -105.089 -52.4348 7.98912 97.4109 -23.7344 -29.6505 -57.3969 -109.321 PRESSAVG: 313200 22.5026 -24.4712 11.4537 -24.4712 -27.7197 49.0945 11.4537 49.0945 -5.51218 GPRESSAVG: 313200 22.5437 -23.8063 14.0063 -26.1053 -27.2659 49.3139 10.0372 46.8976 -6.60915 TIMING: 313200 CPU: 985.627, 0.0031831/step Wall: 985.627, 0.0031831/step, 4.14404 hours remaining, 231.722656 MB of memory in use. ENERGY: 313200 4088.8830 20521.6529 14380.2134 237.1660 -203419.4127 2748.8902 0.0000 0.0000 51881.8036 -109560.8036 298.1654 -161442.6072 -109206.2489 299.1907 56.3492 84.5456 760633.8735 -3.5764 -3.7771 PRESSURE: 313400 245.581 220.508 -28.0833 220.509 -119.855 -175.327 -28.0834 -175.327 -245.479 GPRESSURE: 313400 213.467 95.3753 -40.8442 275.293 -25.2895 -112.048 -97.9933 -128.85 -184.555 PRESSAVG: 313400 15.3476 -25.8671 -51.1609 -25.8671 -38.9625 -3.39095 -51.1609 -3.39084 4.10816 GPRESSAVG: 313400 15.2786 -26.6877 -53.555 -24.6013 -38.9751 -2.23891 -49.3746 -4.35952 4.97759 TIMING: 313400 CPU: 986.259, 0.00316076/step Wall: 986.259, 0.00316076/step, 4.11478 hours remaining, 231.722656 MB of memory in use. ENERGY: 313400 4001.0811 20557.5881 14462.1823 235.7860 -203460.5731 2450.6575 0.0000 0.0000 51985.1003 -109768.1779 298.7591 -161753.2782 -109413.7103 299.1221 -39.9177 1.2078 760832.2029 -6.5023 -6.2396 PRESSURE: 313600 -84.9917 -120.581 -3.30806 -120.581 23.0627 11.0774 -3.30855 11.0768 -228.414 GPRESSURE: 313600 -2.7022 -58.6123 -43.5614 -180.86 -54.393 37.1711 26.3737 -15.6895 -143.374 PRESSAVG: 313600 21.5745 -4.69924 38.359 -4.69923 13.8028 6.09354 38.359 6.09347 26.2942 GPRESSAVG: 313600 22.4401 -5.33603 40.3048 -3.89837 12.6044 7.24128 38.7426 7.43051 26.416 TIMING: 313600 CPU: 986.886, 0.00313704/step Wall: 986.886, 0.00313704/step, 4.08373 hours remaining, 231.722656 MB of memory in use. ENERGY: 313600 3930.6125 20410.6699 14517.8143 235.7421 -203448.8210 2439.5174 0.0000 0.0000 52180.7825 -109733.6823 299.8837 -161914.4647 -109375.9945 298.8066 -96.7809 -66.8231 760844.7017 20.5571 20.4868 PRESSURE: 313800 54.9474 14.944 60.1197 14.9433 -21.5866 -4.77632 60.1194 -4.7762 32.9009 GPRESSURE: 313800 56.5659 -30.4021 2.86559 86.9265 150.159 -15.0991 47.6005 61.9872 -71.4609 PRESSAVG: 313800 46.2565 4.32988 28.4309 4.32978 16.3159 62.6841 28.4308 62.684 20.5913 GPRESSAVG: 313800 46.5852 5.2535 28.4755 2.58633 16.7397 60.2924 29.8129 65.7083 19.782 TIMING: 313800 CPU: 987.52, 0.00316733/step Wall: 987.52, 0.00316734/step, 4.12299 hours remaining, 231.722656 MB of memory in use. ENERGY: 313800 4027.8983 20503.7524 14448.0331 232.2637 -203528.1574 2452.0033 0.0000 0.0000 52261.8591 -109602.3474 300.3496 -161864.2066 -109226.7246 299.2636 22.0872 45.0879 761371.7445 27.7212 27.7023 PRESSURE: 314000 270.814 73.1446 60.2801 73.145 380.902 40.0616 60.279 40.0618 278.043 GPRESSURE: 314000 309.051 75.6828 68.6084 29.1813 390.461 56.5622 91.4685 106.199 300.457 PRESSAVG: 314000 -26.1866 -30.3045 -29.2374 -30.3045 17.294 40.9638 -29.2374 40.9638 -4.35355 GPRESSAVG: 314000 -27.3797 -29.483 -30.9212 -30.726 17.1607 41.3929 -28.465 39.9794 -3.24006 TIMING: 314000 CPU: 988.153, 0.00316379/step Wall: 988.153, 0.00316379/step, 4.11819 hours remaining, 231.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 314000 3992.4665 20590.3172 14417.7703 253.4024 -203691.3502 2584.7448 0.0000 0.0000 52325.6255 -109527.0235 300.7161 -161852.6490 -109163.5108 299.5809 309.9195 333.3230 759216.9216 -4.4154 -4.4864 PRESSURE: 314200 151.948 -44.0338 172.631 -44.0335 -372.736 88.8876 172.632 88.888 -4.67251 GPRESSURE: 314200 142.516 -199.209 191.933 36.8428 -281.368 51.678 82.6807 -2.31163 -10.1215 PRESSAVG: 314200 25.8361 7.45813 31.6248 7.45815 -1.0126 70.5581 31.6248 70.5581 -3.00748 GPRESSAVG: 314200 25.7153 7.24337 32.5941 6.52299 -0.984924 70.4348 30.7054 69.9283 -2.75526 TIMING: 314200 CPU: 988.785, 0.00316374/step Wall: 988.785, 0.00316374/step, 4.11796 hours remaining, 231.722656 MB of memory in use. ENERGY: 314200 4019.9841 20615.9299 14428.1084 235.3579 -203705.2859 2424.6570 0.0000 0.0000 52227.8389 -109753.4097 300.1541 -161981.2487 -109392.8187 299.5217 -75.1533 -49.6576 759731.1016 7.2720 7.3250 PRESSURE: 314400 49.4028 -151.593 150.99 -151.593 86.1837 -96.7517 150.99 -96.7527 460.04 GPRESSURE: 314400 177.618 -99.1079 114.814 -101.577 50.5928 -91.2078 21.1158 22.0962 446.84 PRESSAVG: 314400 13.1289 0.34983 -14.6564 0.349761 -14.617 -16.1009 -14.6564 -16.1009 -20.8376 GPRESSAVG: 314400 13.4493 -1.02159 -13.376 1.91433 -14.5811 -14.8588 -15.1285 -17.722 -20.9112 TIMING: 314400 CPU: 989.417, 0.00316027/step Wall: 989.417, 0.00316027/step, 4.11327 hours remaining, 231.722656 MB of memory in use. ENERGY: 314400 3890.9131 20589.0088 14505.5558 255.3194 -203564.7416 2627.0208 0.0000 0.0000 52106.2472 -109590.6765 299.4553 -161696.9237 -109225.5148 299.5116 198.5421 225.0167 759512.5135 -7.4419 -7.3477 PRESSURE: 314600 211.508 -274.792 208.836 -274.793 64.8843 -95.7522 208.836 -95.7532 -87.8464 GPRESSURE: 314600 163.962 -294.224 225.263 -145.212 217.14 -108.808 116.084 -117.032 -93.8674 PRESSAVG: 314600 23.584 -37.6798 -34.0782 -37.6798 13.0855 20.5999 -34.0783 20.5999 18.6085 GPRESSAVG: 314600 23.0935 -36.1858 -35.7368 -38.2113 14.3595 20.3067 -34.9644 19.8236 17.8834 TIMING: 314600 CPU: 990.045, 0.00313627/step Wall: 990.045, 0.00313627/step, 4.08186 hours remaining, 231.722656 MB of memory in use. ENERGY: 314600 4030.5472 20734.9710 14450.7298 243.0663 -203482.4800 2416.5421 0.0000 0.0000 52173.7028 -109432.9208 299.8430 -161606.6237 -109066.2820 299.7918 62.8487 95.7449 758388.0932 18.4260 18.4455 PRESSURE: 314800 45.397 -258.481 127.492 -258.481 135.811 -167.375 127.492 -167.376 41.7492 GPRESSURE: 314800 117.608 -282.189 86.878 -193.48 162.951 -165.99 97.9354 -144.398 19.6437 PRESSAVG: 314800 -28.4822 -56.575 39.0997 -56.575 2.20679 -31.1158 39.0996 -31.1157 -12.0904 GPRESSAVG: 314800 -27.2697 -56.507 40.2403 -56.416 0.862808 -29.7907 39.049 -31.0316 -11.8871 TIMING: 314800 CPU: 990.675, 0.00315238/step Wall: 990.675, 0.00315238/step, 4.10264 hours remaining, 231.722656 MB of memory in use. ENERGY: 314800 4022.5660 20636.4386 14465.7076 231.5041 -203410.2678 2595.0163 0.0000 0.0000 52078.3686 -109380.6666 299.2951 -161459.0352 -109018.8909 300.2039 74.3192 100.0675 758673.4769 -12.7886 -12.7647 PRESSURE: 315000 -86.1201 79.5979 2.97151 79.5973 -289.048 -22.8228 2.97103 -22.8225 -147.711 GPRESSURE: 315000 -11.8031 76.3324 -28.8883 34.6948 -183.142 -37.2482 42.3072 -10.1822 -223.728 PRESSAVG: 315000 15.1503 -24.2795 16.3203 -24.2794 -15.349 -30.4644 16.3203 -30.4644 -8.58394 GPRESSAVG: 315000 13.9014 -25.1179 14.811 -25.3636 -15.3078 -31.1644 16.0952 -28.9273 -7.80152 TIMING: 315000 CPU: 991.309, 0.00316954/step Wall: 991.309, 0.00316954/step, 4.12481 hours remaining, 231.722656 MB of memory in use. ENERGY: 315000 3984.9127 20554.6847 14385.2184 234.6141 -203186.1417 2430.4067 0.0000 0.0000 52270.3660 -109325.9392 300.3985 -161596.3051 -108968.0658 300.0208 -174.2931 -139.5576 759815.8336 -2.9275 -3.0693 PRESSURE: 315200 362.95 -40.103 168.152 -40.1032 -14.9409 -94.0945 168.152 -94.0944 175.028 GPRESSURE: 315200 374.891 -99.2892 207.771 -84.4209 13.0161 -143.827 69.3296 -104.166 223.252 PRESSAVG: 315200 4.78817 -10.3265 18.55 -10.3265 31.169 -14.4091 18.55 -14.4091 0.779216 GPRESSAVG: 315200 4.70982 -10.0355 21.1509 -12.9175 31.3536 -15.0503 19.3512 -15.8519 0.399368 TIMING: 315200 CPU: 991.939, 0.00314788/step Wall: 991.939, 0.00314787/step, 4.09643 hours remaining, 231.722656 MB of memory in use. ENERGY: 315200 4003.3796 20595.7380 14404.1494 259.5280 -203538.5128 2671.1029 0.0000 0.0000 52229.9349 -109374.6799 300.1662 -161604.6148 -109002.9129 300.0880 174.3457 203.7198 759986.4671 12.2455 12.1543 PRESSURE: 315400 -280.024 -124.853 42.9913 -124.855 -254.618 -79.2508 42.991 -79.2512 -226.275 GPRESSURE: 315400 -287.693 -96.193 17.5273 -172.835 -130.913 -129.698 191.034 -44.4077 -246.13 PRESSAVG: 315400 -40.1091 -25.8203 -27.548 -25.8202 -14.616 -4.63378 -27.548 -4.63379 13.5345 GPRESSAVG: 315400 -40.6781 -25.7085 -30.0632 -23.6884 -13.6926 -4.19482 -25.9203 -3.82094 12.7908 TIMING: 315400 CPU: 992.569, 0.00315362/step Wall: 992.569, 0.00315362/step, 4.10373 hours remaining, 231.722656 MB of memory in use. ENERGY: 315400 4007.9356 20565.3197 14393.8368 248.4310 -202811.9817 2206.0786 0.0000 0.0000 52034.4702 -109355.9099 299.0428 -161390.3801 -108989.2231 299.5524 -253.6389 -221.5786 760759.7724 -13.7302 -13.8599 PRESSURE: 315600 -408.304 192.728 101.807 192.728 -279.644 90.4734 101.806 90.472 62.2254 GPRESSURE: 315600 -302.268 215.151 12.9999 110.299 -250.95 19.896 45.4515 148.239 -8.458 PRESSAVG: 315600 -19.6562 -48.317 21.7277 -48.317 3.06525 41.7696 21.7276 41.7696 -3.26761 GPRESSAVG: 315600 -17.8031 -49.6352 21.8136 -47.4296 2.0374 40.8344 20.7009 42.0798 -3.81939 TIMING: 315600 CPU: 993.202, 0.00316176/step Wall: 993.202, 0.00316176/step, 4.11415 hours remaining, 231.722656 MB of memory in use. ENERGY: 315600 3965.1926 20568.7446 14490.7466 244.2903 -203156.4671 2261.0828 0.0000 0.0000 52265.9555 -109360.4547 300.3732 -161626.4102 -108989.9001 299.8680 -208.5742 -187.2252 763654.5703 -6.6195 -6.5284 PRESSURE: 315800 84.7647 155.919 -68.9458 155.919 336.598 35.6766 -68.9457 35.676 183.956 GPRESSURE: 315800 113.563 125.182 -48.7083 36.2316 404.238 32.4032 -45.618 69.6558 197.935 PRESSAVG: 315800 -62.5085 -44.4779 -0.101797 -44.4779 48.0451 -5.21392 -0.101774 -5.21392 15.4151 GPRESSAVG: 315800 -62.9833 -41.7247 -0.0551831 -45.8496 48.5244 -4.40454 0.920482 -6.34071 15.3166 TIMING: 315800 CPU: 993.834, 0.003162/step Wall: 993.834, 0.003162/step, 4.11428 hours remaining, 231.722656 MB of memory in use. ENERGY: 315800 4020.0467 20534.2329 14413.5611 267.9330 -203726.7591 2732.6551 0.0000 0.0000 52207.7686 -109550.5616 300.0388 -161758.3302 -109188.7061 300.1094 201.7728 238.5787 759594.2961 0.3172 0.2859 PRESSURE: 316000 -166.192 -107.203 129.525 -107.203 -285.277 120.299 129.524 120.299 -236.612 GPRESSURE: 316000 -84.2382 -130.971 132.743 -50.3342 -269.105 108.141 55.1133 97.5924 -252.552 PRESSAVG: 316000 0.707021 -2.18569 1.06528 -2.18568 7.8237 38.9868 1.06531 38.9868 -11.8514 GPRESSAVG: 316000 0.528917 -4.19264 1.24755 -0.591088 7.42752 38.9896 -0.0378282 39.2051 -11.7245 TIMING: 316000 CPU: 994.461, 0.00313493/step Wall: 994.461, 0.00313493/step, 4.07889 hours remaining, 231.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 316000 4071.0730 20420.5589 14503.9935 241.4169 -203446.7865 2509.1992 0.0000 0.0000 52039.8862 -109660.6589 299.0739 -161700.5451 -109303.1921 299.0366 -229.3603 -201.9650 760827.1455 -1.1069 -1.2560 PRESSURE: 316200 -105.976 -45.0812 -110.604 -45.0809 -73.2933 -127.328 -110.604 -127.327 265.73 GPRESSURE: 316200 -30.4946 -62.5772 -125.703 -66.7998 16.0624 -123.153 -72.7398 -33.2916 185.314 PRESSAVG: 316200 -83.422 -37.6958 -2.54158 -37.6958 50.8859 33.9932 -2.5416 33.9932 17.7799 GPRESSAVG: 316200 -83.6093 -38.1764 -3.05631 -36.2805 51.8245 34.6016 -2.87285 35.0378 16.9698 TIMING: 316200 CPU: 995.094, 0.00316462/step Wall: 995.094, 0.00316462/step, 4.11735 hours remaining, 231.722656 MB of memory in use. ENERGY: 316200 3937.9453 20360.3842 14475.8347 234.5000 -203169.5335 2459.3580 0.0000 0.0000 51966.8478 -109734.6634 298.6542 -161701.5112 -109361.9075 298.7744 28.8202 56.9606 762136.1086 -4.9188 -4.9383 LDB: ============= START OF LOAD BALANCING ============== 1007.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1007.5 LDB: =============== DONE WITH MIGRATION ================ 1007.5 LDB: ============= START OF LOAD BALANCING ============== 1007.82 LDB: Largest compute 7026 load 0.033043 is 16.9% of average load 0.195629 LDB: Average compute 0.004382 is 2.2% of average load 0.195629 LDB: TIME 1007.82 LOAD: AVG 0.195629 MAX 0.215523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.551 MB LDB: TIME 1007.82 LOAD: AVG 0.195629 MAX 0.215523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: TIME 1007.82 LOAD: AVG 0.195629 MAX 0.215523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: ============== END OF LOAD BALANCING =============== 1007.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1007.83 PRESSURE: 316400 -310.979 -172.364 175.447 -172.363 -208.208 -43.6888 175.447 -43.6899 -122.748 GPRESSURE: 316400 -221.1 -89.4734 152.968 -132.231 -202.938 16.0141 196.995 -29.7784 -123.644 PRESSAVG: 316400 -18.651 -25.1673 0.824932 -25.1673 29.2789 2.7445 0.824874 2.74455 -0.0205 GPRESSAVG: 316400 -18.9952 -24.618 2.20101 -28.6142 28.6552 0.707292 0.137826 2.87471 0.94173 TIMING: 316400 CPU: 995.743, 0.00324694/step Wall: 995.743, 0.00324694/step, 4.22426 hours remaining, 232.320312 MB of memory in use. ENERGY: 316400 4001.6515 20531.5868 14471.0688 259.9422 -203539.8608 2456.3343 0.0000 0.0000 51943.6987 -109875.5784 298.5212 -161819.2772 -109510.9735 298.6137 -213.9782 -182.5607 762238.7566 3.5358 3.5339 PRESSURE: 316600 -195.447 58.3052 379.716 58.3044 -523.469 233.466 379.716 233.466 -105.514 GPRESSURE: 316600 -187.197 57.1196 315.818 107.86 -478.601 216.366 427.4 228.322 -51.5813 PRESSAVG: 316600 32.8973 -65.5695 56.1975 -65.5695 -30.5467 -21.279 56.1976 -21.279 -1.59963 GPRESSAVG: 316600 32.084 -63.4749 55.2667 -64.7865 -30.1086 -19.8544 56.6223 -22.1052 -1.18319 TIMING: 316600 CPU: 996.375, 0.00315605/step Wall: 996.375, 0.00315605/step, 4.10585 hours remaining, 232.320312 MB of memory in use. ENERGY: 316600 4068.2199 20510.8689 14390.2232 242.3772 -203305.7858 2410.5018 0.0000 0.0000 51912.5030 -109771.0918 298.3419 -161683.5948 -109407.8704 298.6419 -274.8099 -239.1266 762040.4138 0.2503 0.2641 PRESSURE: 316800 -20.7236 -56.3764 134.539 -56.3755 -219.057 13.4856 134.539 13.4855 -252.785 GPRESSURE: 316800 6.97541 -169.548 144.988 -91.8297 -157.997 61.4419 152.234 81.4221 -231.193 PRESSAVG: 316800 25.6257 -33.3816 40.4453 -33.3816 -10.658 -41.7613 40.4453 -41.7614 -6.74338 GPRESSAVG: 316800 26.5586 -36.2146 39.816 -33.2354 -9.47543 -42.1224 42.2541 -41.6689 -8.48354 TIMING: 316800 CPU: 997.011, 0.00318323/step Wall: 997.011, 0.00318323/step, 4.14103 hours remaining, 232.320312 MB of memory in use. ENERGY: 316800 3919.6528 20464.9145 14470.8126 223.3823 -203362.6202 2356.1055 0.0000 0.0000 52093.2202 -109834.5323 299.3805 -161927.7525 -109470.6195 298.7981 -164.1886 -127.4047 760290.3972 2.7414 2.8666 PRESSURE: 317000 -106.413 -114.265 66.2017 -114.265 -75.4485 -140.09 66.2019 -140.09 -539.768 GPRESSURE: 317000 -93.3224 -257.594 82.9367 9.28773 -77.8476 -168.412 162.6 -139.027 -468.762 PRESSAVG: 317000 26.0435 -35.8308 64.7595 -35.8309 -0.94317 -47.4686 64.7595 -47.4686 -15.5592 GPRESSAVG: 317000 25.8476 -35.2671 64.7181 -35.4805 -1.19518 -48.2839 63.6335 -44.5413 -14.2545 TIMING: 317000 CPU: 997.646, 0.00317214/step Wall: 997.646, 0.00317214/step, 4.12643 hours remaining, 232.320312 MB of memory in use. ENERGY: 317000 4032.9799 20561.3906 14411.4740 242.9785 -203629.2602 2552.5669 0.0000 0.0000 52070.9799 -109756.8905 299.2526 -161827.8704 -109386.7767 298.5773 -240.5430 -213.3108 761290.0053 3.1804 3.4660 PRESSURE: 317200 -182.081 -53.0545 234.257 -53.0552 179.992 -105.803 234.259 -105.803 141.977 GPRESSURE: 317200 -136.106 -41.4595 247.634 83.8069 170.254 -117.195 253.782 -130.92 189.466 PRESSAVG: 317200 -55.5116 -53.3313 15.8803 -53.3313 -9.70554 0.0634228 15.8803 0.0634847 19.1295 GPRESSAVG: 317200 -55.0277 -53.575 16.8375 -51.1807 -9.30037 2.016 16.0664 -3.74572 17.9754 TIMING: 317200 CPU: 998.28, 0.0031726/step Wall: 998.28, 0.00317259/step, 4.12684 hours remaining, 232.320312 MB of memory in use. ENERGY: 317200 3973.7017 20509.0918 14401.2283 235.6989 -203240.2790 2440.3895 0.0000 0.0000 51975.0187 -109705.1501 298.7011 -161680.1688 -109342.7144 299.2827 46.6293 74.5382 761808.6624 -15.3626 -15.4509 PRESSURE: 317400 340.533 85.8961 3.58118 85.8954 -133.588 85.2822 3.58185 85.2832 235.35 GPRESSURE: 317400 361.436 -14.5283 -64.9807 -18.9398 -56.2788 41.3983 38.7778 39.9163 240.88 PRESSAVG: 317400 -41.2808 -37.6617 55.5336 -37.6617 31.7572 6.94079 55.5336 6.94073 5.05015 GPRESSAVG: 317400 -40.7948 -37.1826 55.0099 -41.5379 31.713 6.86802 54.543 7.70938 4.46643 TIMING: 317400 CPU: 998.908, 0.0031408/step Wall: 998.908, 0.0031408/step, 4.08531 hours remaining, 232.320312 MB of memory in use. ENERGY: 317400 4052.1392 20454.5708 14384.5311 255.8955 -203344.1688 2554.1792 0.0000 0.0000 52070.3882 -109572.4650 299.2492 -161642.8531 -109215.4346 298.9378 147.4317 182.0122 760406.7865 -1.4911 -1.5385 PRESSURE: 317600 -70.6049 168.331 18.3086 168.331 271.721 -1.21884 18.309 -1.21876 -36.2558 GPRESSURE: 317600 32.874 156.207 1.28511 212.06 226.793 97.7878 -50.5619 -75.9501 -0.998982 PRESSAVG: 317600 1.79526 -18.0102 4.31391 -18.0103 -17.668 14.0121 4.31389 14.0121 -20.3316 GPRESSAVG: 317600 1.99466 -16.9546 4.35811 -16.2827 -18.8404 12.9255 4.43793 13.7829 -19.0334 TIMING: 317600 CPU: 999.536, 0.00313671/step Wall: 999.536, 0.00313671/step, 4.07982 hours remaining, 232.320312 MB of memory in use. ENERGY: 317600 4043.9394 20421.8203 14447.1372 249.9665 -203401.0072 2664.0514 0.0000 0.0000 52189.2682 -109384.8243 299.9324 -161574.0924 -109027.4661 299.9242 54.9536 86.2228 760292.2446 -12.0681 -11.9597 PRESSURE: 317800 -27.5615 102.103 209.512 102.103 -188.473 56.2606 209.513 56.2594 -95.8771 GPRESSURE: 317800 79.8382 127.404 160.538 2.65258 -183.729 31.0582 198.271 85.4368 -112.592 PRESSAVG: 317800 5.25398 21.5909 18.2031 21.5909 38.4874 -40.8828 18.203 -40.8829 27.3513 GPRESSAVG: 317800 5.39752 21.5279 18.6429 20.488 38.3329 -39.7868 16.0302 -41.8858 27.4551 TIMING: 317800 CPU: 1000.17, 0.00314927/step Wall: 1000.17, 0.00314927/step, 4.09598 hours remaining, 232.320312 MB of memory in use. ENERGY: 317800 3981.5619 20438.2181 14448.9148 258.7627 -202967.8418 2238.7055 0.0000 0.0000 52415.2479 -109186.4310 301.2311 -161601.6789 -108822.9136 300.2493 -103.9706 -72.1609 761804.0427 23.6976 23.7285 PRESSURE: 318000 169.726 283.487 119.422 283.488 -69.814 -104.855 119.421 -104.854 -94.4787 GPRESSURE: 318000 92.2094 204.025 92.6034 135.827 27.2551 -71.577 169.357 -9.36484 -33.5859 PRESSAVG: 318000 -53.096 -28.4021 29.6855 -28.402 46.0362 24.3911 29.6856 24.3912 9.4038 GPRESSAVG: 318000 -53.084 -29.1003 29.8097 -27.8682 45.5348 24.0773 30.5135 25.8686 9.72685 TIMING: 318000 CPU: 1000.8, 0.00315681/step Wall: 1000.8, 0.00315681/step, 4.1056 hours remaining, 232.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 318000 4093.7821 20448.8991 14456.8715 251.5434 -203224.6243 2526.1199 0.0000 0.0000 52220.3417 -109227.0666 300.1110 -161447.4082 -108858.5639 299.9625 1.8111 28.6262 761369.9973 0.7813 0.7259 PRESSURE: 318200 -188.643 -39.2029 65.1831 -39.203 -243.195 115.347 65.1823 115.347 -367.588 GPRESSURE: 318200 -121.483 -113.957 28.9519 -36.6192 -260.698 156.122 79.3908 2.69138 -334.832 PRESSAVG: 318200 -19.5261 19.4352 21.3014 19.4351 35.3119 -5.9339 21.3014 -5.93384 5.49041 GPRESSAVG: 318200 -19.7266 19.9781 19.3993 17.9623 34.8717 -6.04591 22.7652 -7.71615 6.07309 TIMING: 318200 CPU: 1001.43, 0.00316027/step Wall: 1001.43, 0.00316027/step, 4.10993 hours remaining, 232.320312 MB of memory in use. ENERGY: 318200 4027.5935 20494.0280 14401.1181 278.2127 -203064.3309 2436.8179 0.0000 0.0000 52017.9259 -109408.6347 298.9477 -161426.5606 -109055.0521 299.6512 -266.4754 -239.0045 760575.8448 7.0921 7.0727 PRESSURE: 318400 -58.0742 -196.509 37.2381 -196.509 -449.5 -19.8744 37.2372 -19.8737 81.1246 GPRESSURE: 318400 -46.9815 -201.608 104.131 -190.866 -391.459 96.9198 -59.2822 -63.0141 98.7896 PRESSAVG: 318400 32.9157 -32.9547 24.6127 -32.9548 -0.757629 -1.99848 24.6127 -1.9985 -7.92501 GPRESSAVG: 318400 33.6082 -33.4831 28.4932 -30.8676 -0.191787 -2.61588 23.4249 -1.07081 -8.99791 TIMING: 318400 CPU: 1002.06, 0.00314445/step Wall: 1002.06, 0.00314445/step, 4.08918 hours remaining, 232.320312 MB of memory in use. ENERGY: 318400 3967.4748 20258.6303 14450.8300 241.5567 -203456.5167 2527.6230 0.0000 0.0000 52462.3192 -109548.0827 301.5017 -162010.4019 -109185.9509 299.4249 -142.1500 -113.2169 759077.1731 8.0777 8.1395 PRESSURE: 318600 -316.593 -19.0533 170.828 -19.054 -222.022 7.1482 170.829 7.14876 137.62 GPRESSURE: 318600 -241.322 -17.1051 202.871 43.2233 -239.107 -28.5787 174.031 80.0744 167.1 PRESSAVG: 318600 19.143 -6.53767 -41.1464 -6.53772 -23.4367 26.3921 -41.1464 26.392 23.3301 GPRESSAVG: 318600 18.4816 -6.18435 -41.8358 -8.02714 -24.1706 27.0496 -39.8164 26.7807 24.4 TIMING: 318600 CPU: 1002.69, 0.00315504/step Wall: 1002.69, 0.00315504/step, 4.10278 hours remaining, 232.320312 MB of memory in use. ENERGY: 318600 3970.9021 20411.0447 14371.9483 259.9330 -202754.8768 2090.9982 0.0000 0.0000 52132.8805 -109517.1700 299.6084 -161650.0505 -109153.8673 299.5762 -133.6651 -104.4430 760055.6104 6.3455 6.2370 PRESSURE: 318800 11.9905 103.353 59.9319 103.353 251.753 270.905 59.931 270.905 275.921 GPRESSURE: 318800 -43.9222 88.4894 -2.2572 50.3365 245.341 220.095 12.8219 244.464 428.736 PRESSAVG: 318800 29.9245 -23.2227 -41.0006 -23.2228 8.38687 15.4167 -41.0006 15.4167 16.081 GPRESSAVG: 318800 29.3962 -22.4459 -42.4056 -22.0216 8.85005 15.6622 -41.1345 15.4002 15.8957 TIMING: 318800 CPU: 1003.32, 0.00314351/step Wall: 1003.32, 0.00314351/step, 4.08761 hours remaining, 232.320312 MB of memory in use. ENERGY: 318800 4028.2189 20562.3808 14411.6068 235.0850 -203104.2343 2577.5396 0.0000 0.0000 51945.0037 -109344.3994 298.5287 -161289.4032 -108995.7523 299.7534 179.8881 210.0515 760639.0568 18.1308 18.0473 PRESSURE: 319000 41.1838 44.6422 -143.819 44.6426 59.6581 103.788 -143.82 103.789 33.6673 GPRESSURE: 319000 144.956 83.2074 -80.5563 47.6975 31.6341 87.4191 -52.0872 104.475 48.5471 PRESSAVG: 319000 62.6858 -28.645 -6.49322 -28.6449 -57.1919 33.1912 -6.49328 33.1913 30.2546 GPRESSAVG: 319000 63.6496 -28.4011 -6.72837 -29.6479 -57.3869 31.5335 -7.52442 32.9285 30.2571 TIMING: 319000 CPU: 1003.95, 0.00315133/step Wall: 1003.95, 0.00315133/step, 4.0976 hours remaining, 232.320312 MB of memory in use. ENERGY: 319000 3965.0468 20494.4848 14453.7737 260.2712 -203484.1759 2738.2816 0.0000 0.0000 52127.2026 -109445.1152 299.5757 -161572.3178 -109088.4666 299.3595 44.8364 75.0456 761463.0875 11.9162 12.1733 PRESSURE: 319200 -574.33 -139.211 -87.4738 -139.211 -324.953 125.456 -87.4741 125.455 -13.131 GPRESSURE: 319200 -591.025 -161.889 -93.087 -87.1146 -235.677 163.123 -34.9662 76.1642 -1.87668 PRESSAVG: 319200 5.98689 -50.7978 -26.253 -50.7978 -29.602 44.495 -26.253 44.495 5.69978 GPRESSAVG: 319200 6.3388 -51.0755 -26.8436 -48.2418 -30.0613 44.3674 -23.9729 42.8885 5.90178 TIMING: 319200 CPU: 1004.58, 0.0031495/step Wall: 1004.58, 0.00314949/step, 4.09504 hours remaining, 232.320312 MB of memory in use. ENERGY: 319200 4052.8829 20349.0326 14380.0159 255.5659 -202952.6929 2235.4744 0.0000 0.0000 52207.0609 -109472.6602 300.0347 -161679.7211 -109113.8879 299.5938 -304.1378 -276.1930 762223.8128 -5.9718 -5.9402 PRESSURE: 319400 -370.034 236.654 262.364 236.654 -0.0438707 20.4017 262.365 20.4024 32.8245 GPRESSURE: 319400 -326.001 47.5663 226.916 178.668 -1.61683 -46.1369 197.642 17.4544 89.7697 PRESSAVG: 319400 36.8593 -38.1544 6.30489 -38.1544 -35.1457 20.2575 6.30493 20.2575 21.5762 GPRESSAVG: 319400 36.4032 -38.4184 7.95174 -39.7796 -35.2074 21.2177 6.0936 23.7001 21.5632 TIMING: 319400 CPU: 1005.21, 0.00316076/step Wall: 1005.21, 0.00316076/step, 4.10951 hours remaining, 232.320312 MB of memory in use. ENERGY: 319400 4021.2847 20428.5249 14427.5502 242.8643 -202916.6986 2055.9154 0.0000 0.0000 52083.0956 -109657.4634 299.3223 -161740.5590 -109280.8084 299.3904 -112.4178 -79.2828 763781.5013 7.7632 7.5863 PRESSURE: 319600 -122.333 -9.25095 164.739 -9.25159 88.8498 -30.8362 164.74 -30.8348 -268.952 GPRESSURE: 319600 6.29199 -3.18534 199.851 36.3457 115.821 -71.4176 223.216 -79.3168 -342.032 PRESSAVG: 319600 43.5903 -24.3604 -1.91133 -24.3604 -9.08155 30.216 -1.91131 30.2161 -6.31731 GPRESSAVG: 319600 42.976 -25.0896 -3.50004 -24.065 -7.84822 29.3827 -2.64519 27.3573 -6.9602 TIMING: 319600 CPU: 1005.84, 0.00316192/step Wall: 1005.84, 0.00316191/step, 4.11084 hours remaining, 232.320312 MB of memory in use. ENERGY: 319600 3975.7730 20315.5358 14467.7271 248.2058 -203195.9787 2421.9453 0.0000 0.0000 51801.0940 -109965.6978 297.7016 -161766.7918 -109607.5931 299.1993 -100.8119 -73.3065 761368.2806 9.3972 9.3892 PRESSURE: 319800 166.291 183.218 -61.3956 183.218 -189.6 35.6653 -61.3949 35.6649 -191.312 GPRESSURE: 319800 151.775 160.577 -21.3379 151.345 -161.434 189.268 -147.115 4.19787 -113.835 PRESSAVG: 319800 -45.2248 -14.2704 37.074 -14.2704 55.5116 -18.2002 37.074 -18.2003 3.34998 GPRESSAVG: 319800 -44.2758 -13.4908 40.5069 -14.4556 54.4907 -16.1941 36.0703 -16.7569 3.37544 TIMING: 319800 CPU: 1006.48, 0.00319117/step Wall: 1006.48, 0.00319117/step, 4.14869 hours remaining, 232.320312 MB of memory in use. ENERGY: 319800 4007.7799 20441.0035 14404.9084 231.3057 -203385.3366 2428.4104 0.0000 0.0000 51949.1307 -109922.7979 298.5524 -161871.9286 -109568.2338 298.6440 -71.5405 -41.1645 761142.6249 4.5456 4.5301 PRESSURE: 320000 21.4617 -65.7826 157.169 -65.7821 -143.98 9.92448 157.169 9.92579 -259.926 GPRESSURE: 320000 -28.4592 -76.1473 113.591 -14.6428 -96.5005 -44.5924 -19.0074 -47.3928 -154.852 PRESSAVG: 320000 2.00243 -21.1892 -8.1544 -21.1892 35.8907 14.8378 -8.1544 14.8378 -22.1511 GPRESSAVG: 320000 2.34293 -21.2473 -11.2133 -19.4024 35.5188 13.9526 -8.92247 12.7245 -22.5156 TIMING: 320000 CPU: 1007.11, 0.00316124/step Wall: 1007.11, 0.00316124/step, 4.10961 hours remaining, 232.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 320000 3932.5916 20499.9618 14472.5978 262.0005 -203285.6738 2408.7977 0.0000 0.0000 51932.5896 -109777.1348 298.4573 -161709.7244 -109412.3173 298.5951 -127.4814 -93.2705 761250.7996 5.2473 5.1154 PRESSURE: 320200 278.46 -46.1678 -139.209 -46.1677 87.9075 234.871 -139.209 234.871 501.931 GPRESSURE: 320200 338.57 -36.4886 -95.1141 -79.5514 104.692 222.168 -191.022 155.609 501.838 PRESSAVG: 320200 20.0561 -62.6182 -4.69195 -62.6182 -46.4356 9.3833 -4.69196 9.38327 15.6326 GPRESSAVG: 320200 18.6721 -62.911 -2.71049 -63.8011 -44.9661 8.3387 -3.3778 10.0141 15.2472 TIMING: 320200 CPU: 1007.75, 0.00316508/step Wall: 1007.75, 0.00316508/step, 4.11443 hours remaining, 232.320312 MB of memory in use. ENERGY: 320200 3933.8985 20552.0037 14543.7350 264.6792 -203392.4599 2531.1731 0.0000 0.0000 51990.4011 -109576.5694 298.7895 -161566.9705 -109214.2915 299.4141 289.4327 315.0335 758706.8694 -3.5823 -3.6823 LDB: ============= START OF LOAD BALANCING ============== 1020.14 LDB: ============== END OF LOAD BALANCING =============== 1020.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1020.15 LDB: ============= START OF LOAD BALANCING ============== 1020.46 LDB: Largest compute 7034 load 0.032525 is 16.6% of average load 0.195593 LDB: Average compute 0.004391 is 2.2% of average load 0.195593 LDB: TIME 1020.47 LOAD: AVG 0.195593 MAX 0.215981 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.863 MB LDB: TIME 1020.47 LOAD: AVG 0.195593 MAX 0.215981 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.863 MB LDB: TIME 1020.47 LOAD: AVG 0.195593 MAX 0.215981 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.863 MB LDB: ============== END OF LOAD BALANCING =============== 1020.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1020.47 PRESSURE: 320400 10.3686 -79.5598 -20.8965 -79.5593 353.843 -31.6473 -20.8964 -31.647 149.365 GPRESSURE: 320400 108.836 -94.0223 -48.9044 -49.2243 330.153 -108.258 -114.822 -26.9992 153.627 PRESSAVG: 320400 -18.9302 -4.88252 -35.1256 -4.88242 84.4511 -24.4036 -35.1256 -24.4036 -0.796672 GPRESSAVG: 320400 -18.165 -7.00314 -35.7839 -3.08534 82.8994 -24.2403 -34.6769 -22.2511 -0.0510257 TIMING: 320400 CPU: 1008.39, 0.00323286/step Wall: 1008.39, 0.00323286/step, 4.20236 hours remaining, 232.984375 MB of memory in use. ENERGY: 320400 3930.2221 20356.9463 14511.8057 247.6165 -203519.3966 2579.1152 0.0000 0.0000 52105.2280 -109788.4628 299.4495 -161893.6908 -109425.8044 298.7803 171.1922 197.5386 757751.2467 21.5747 21.5611 PRESSURE: 320600 149.27 -185.007 -39.87 -185.008 -47.668 90.9122 -39.8694 90.9129 -295.583 GPRESSURE: 320600 197.125 -158.895 -51.4558 -121.745 -12.9979 101.102 74.9881 37.0654 -289.618 PRESSAVG: 320600 -70.1134 41.7596 11.3838 41.7596 60.8042 -39.7557 11.3838 -39.7556 -18.1993 GPRESSAVG: 320600 -70.4947 43.2449 11.1045 42.5267 60.1228 -40.0338 10.6273 -40.4327 -17.2529 TIMING: 320600 CPU: 1009.02, 0.0031414/step Wall: 1009.02, 0.00314141/step, 4.0833 hours remaining, 233.214844 MB of memory in use. ENERGY: 320600 4029.1999 20261.4653 14430.1016 250.0304 -203749.7011 2691.3767 0.0000 0.0000 52012.2611 -110075.2661 298.9152 -162087.5272 -109718.5589 298.3210 -64.6605 -35.1637 759223.1367 -9.1695 -9.2083 PRESSURE: 320800 223.777 -282.75 -190.388 -282.75 118.909 10.862 -190.388 10.863 -459.249 GPRESSURE: 320800 179.853 -226.361 -172.317 -221.491 161.243 34.4717 -231.281 -8.55896 -377.455 PRESSAVG: 320800 -12.2046 -34.2034 -17.3592 -34.2034 11.5063 101.804 -17.3592 101.804 10.211 GPRESSAVG: 320800 -11.6665 -33.2107 -17.3819 -35.6379 12.1828 102.722 -17.5194 99.6483 8.10431 TIMING: 320800 CPU: 1009.65, 0.00313729/step Wall: 1009.65, 0.00313729/step, 4.07778 hours remaining, 233.214844 MB of memory in use. ENERGY: 320800 3919.6091 20554.3680 14433.9223 241.2671 -203594.3786 2450.1867 0.0000 0.0000 51903.2283 -110091.7971 298.2886 -161995.0254 -109725.6514 298.1234 -38.8547 -12.1197 759411.4071 3.1709 2.8736 PRESSURE: 321000 61.6148 -151.023 74.8756 -151.022 -96.8637 -62.8964 74.8767 -62.8967 348.364 GPRESSURE: 321000 -37.7277 -72.735 65.2536 -100.675 6.82191 -125.405 114.586 0.937439 430.813 PRESSAVG: 321000 -21.8793 -58.5991 -21.834 -58.5991 -5.78762 1.23822 -21.8341 1.23813 -10.8463 GPRESSAVG: 321000 -23.5897 -57.5697 -22.8449 -60.1984 -5.25657 0.560585 -20.4813 2.52667 -10.4437 TIMING: 321000 CPU: 1010.28, 0.00315704/step Wall: 1010.28, 0.00315704/step, 4.10328 hours remaining, 233.214844 MB of memory in use. ENERGY: 321000 4029.2498 20490.1196 14425.2481 229.2519 -203608.0774 2914.9772 0.0000 0.0000 51811.8353 -109707.3956 297.7633 -161519.2308 -109361.2471 298.7070 104.3716 133.3023 760367.3351 -12.8377 -13.0967 PRESSURE: 321200 48.2584 -67.5699 129.321 -67.5698 56.9921 71.9578 129.319 71.9583 -48.6045 GPRESSURE: 321200 80.2326 -37.864 153.447 -51.9982 137.98 139.728 -43.3641 13.9737 -95.0429 PRESSAVG: 321200 -33.1915 -10.4962 -3.22366 -10.4962 -10.787 40.0938 -3.22366 40.0938 -3.63369 GPRESSAVG: 321200 -32.0509 -11.8533 -0.171954 -9.86023 -11.6182 41.3562 -7.20156 39.765 -3.45686 TIMING: 321200 CPU: 1010.91, 0.00315098/step Wall: 1010.91, 0.00315098/step, 4.09522 hours remaining, 233.214844 MB of memory in use. ENERGY: 321200 3952.8391 20467.2440 14521.8209 224.3900 -203899.6055 2905.9452 0.0000 0.0000 52041.2340 -109786.1323 299.0817 -161827.3662 -109421.7759 299.0228 18.8820 41.0566 760745.2791 -15.8707 -15.7086 PRESSURE: 321400 243.65 -183.593 -18.992 -183.593 372.743 -100.714 -18.9917 -100.713 247.636 GPRESSURE: 321400 265.953 -193.086 24.677 -317.961 376.298 -44.1191 60.8172 -72.0403 302.51 PRESSAVG: 321400 -42.8615 -66.7116 17.1379 -66.7117 67.1869 3.07309 17.1379 3.07316 -7.16177 GPRESSAVG: 321400 -43.4812 -67.4995 16.9404 -68.8241 67.6469 1.66595 19.6307 3.20144 -7.00535 TIMING: 321400 CPU: 1011.54, 0.00314436/step Wall: 1011.54, 0.00314436/step, 4.08644 hours remaining, 233.214844 MB of memory in use. ENERGY: 321400 3992.2794 20429.6036 14407.3130 237.7549 -203287.3478 2499.9304 0.0000 0.0000 51774.7171 -109945.7494 297.5500 -161720.4666 -109586.6561 298.6678 288.0096 314.9203 760381.1461 5.7212 5.7201 PRESSURE: 321600 -123.744 -38.862 -174.691 -38.8631 -97.2883 77.7106 -174.692 77.7109 272.324 GPRESSURE: 321600 -7.5951 -47.5207 -181.233 15.9472 -73.0648 2.3297 -119.715 328.405 207.462 PRESSAVG: 321600 53.6932 -17.1553 -1.16903 -17.1553 -20.5157 -33.4804 -1.16901 -33.4804 5.59866 GPRESSAVG: 321600 54.0966 -17.1146 -5.14562 -16.4071 -21.0766 -32.2375 1.06868 -31.6917 5.11312 TIMING: 321600 CPU: 1012.17, 0.00313579/step Wall: 1012.17, 0.00313579/step, 4.07514 hours remaining, 233.214844 MB of memory in use. ENERGY: 321600 3975.1864 20434.8035 14407.8792 258.1068 -203145.8887 2104.0296 0.0000 0.0000 52040.3188 -109925.5644 299.0764 -161965.8832 -109560.8049 298.8147 17.0969 42.2672 758936.5473 12.9254 12.7110 PRESSURE: 321800 -89.6348 15.3446 305.393 15.3443 142.743 -62.5109 305.392 -62.5119 -149.308 GPRESSURE: 321800 -20.7117 9.91009 279.758 29.4534 141.532 40.233 206.277 -83.5071 -117.042 PRESSAVG: 321800 34.6588 -4.3753 64.7463 -4.37529 -28.8044 34.8698 64.7463 34.8698 -8.83548 GPRESSAVG: 321800 35.399 -4.68313 67.5012 -3.42724 -28.9305 33.6503 61.5856 34.6197 -9.41719 TIMING: 321800 CPU: 1012.79, 0.00314576/step Wall: 1012.79, 0.00314576/step, 4.08791 hours remaining, 233.214844 MB of memory in use. ENERGY: 321800 3961.7800 20315.0503 14419.0925 221.5074 -203441.0855 2485.2207 0.0000 0.0000 51878.3970 -110160.0376 298.1459 -162038.4346 -109801.2226 298.1496 -32.0667 1.2594 758793.4858 -0.9937 -0.9829 PRESSURE: 322000 -160.149 -170.921 -16.4419 -170.922 5.16332 -98.925 -16.4417 -98.9241 -261.576 GPRESSURE: 322000 -140.942 -123.046 -34.7785 -247.18 46.2919 -36.8218 -187.515 14.7002 -237.09 PRESSAVG: 322000 -40.6279 -71.9222 -46.1355 -71.9222 28.6508 22.2066 -46.1355 22.2067 -18.9566 GPRESSAVG: 322000 -42.0517 -71.7612 -48.2658 -71.294 28.277 22.4103 -44.3608 22.8929 -17.2711 TIMING: 322000 CPU: 1013.43, 0.00316278/step Wall: 1013.43, 0.00316278/step, 4.10986 hours remaining, 233.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 322000 4024.2511 20268.1792 14383.3540 224.5319 -203496.6941 2472.8518 0.0000 0.0000 51999.6818 -110123.8443 298.8429 -162123.5260 -109770.7100 298.0293 -138.8539 -110.5802 760628.4922 -10.3112 -10.3486 PRESSURE: 322200 -93.6173 -136.887 -163.646 -136.888 -18.7855 -15.4683 -163.646 -15.4683 172.101 GPRESSURE: 322200 3.14064 -167.277 -196.089 -230.835 -31.6905 -54.3283 -87.2071 -57.6619 173.061 PRESSAVG: 322200 15.136 -42.1162 13.3352 -42.1161 26.6132 7.46067 13.3352 7.46068 -1.39927 GPRESSAVG: 322200 16.0393 -43.8975 14.6583 -42.5532 27.0364 8.7039 12.9878 5.41915 -2.42327 TIMING: 322200 CPU: 1014.06, 0.00317072/step Wall: 1014.06, 0.00317072/step, 4.11999 hours remaining, 233.214844 MB of memory in use. ENERGY: 322200 3896.3458 20383.9614 14384.7760 238.1801 -203122.1461 2319.2644 0.0000 0.0000 51945.7999 -109953.8185 298.5332 -161899.6184 -109586.3131 298.2307 19.8993 48.1704 760818.3376 13.4500 13.5508 PRESSURE: 322400 -203.454 38.4665 -15.477 38.4661 154.226 167.673 -15.4777 167.675 -580.603 GPRESSURE: 322400 -217.444 -52.0831 -42.1506 23.7171 226.273 176.959 -154.474 127.115 -579.189 PRESSAVG: 322400 16.0267 -61.3181 5.1283 -61.3181 -42.3214 34.8684 5.12833 34.8685 -8.39048 GPRESSAVG: 322400 17.0345 -59.5054 4.13574 -64.0037 -42.3804 32.3414 5.50659 35.5321 -9.61883 TIMING: 322400 CPU: 1014.7, 0.00319373/step Wall: 1014.7, 0.00319373/step, 4.14972 hours remaining, 233.214844 MB of memory in use. ENERGY: 322400 4000.5478 20475.7630 14437.3816 248.9786 -203706.1569 2644.0324 0.0000 0.0000 51985.2237 -109914.2299 298.7598 -161899.4535 -109565.4319 298.1469 -209.9438 -190.1200 760705.3934 -11.5617 -11.6549 PRESSURE: 322600 -63.7844 -27.3081 128.584 -27.3084 -239.611 -137.629 128.584 -137.63 271.214 GPRESSURE: 322600 58.6574 25.9427 100.3 -0.526397 -244.094 -197.256 178.318 -80.2285 231.853 PRESSAVG: 322600 14.7805 -11.8796 14.2132 -11.8796 -44.2025 7.56046 14.2132 7.56046 -3.43012 GPRESSAVG: 322600 12.8043 -12.1201 14.4805 -10.4919 -43.9908 8.28577 13.3183 8.81251 -1.68103 TIMING: 322600 CPU: 1015.34, 0.00320565/step Wall: 1015.34, 0.00320565/step, 4.16503 hours remaining, 233.214844 MB of memory in use. ENERGY: 322600 3994.6896 20492.9152 14441.0062 241.2741 -202828.9466 2208.8274 0.0000 0.0000 51933.1122 -109517.1218 298.4603 -161450.2340 -109157.2953 298.9829 -10.7274 15.4720 760978.6662 -10.9507 -10.9558 PRESSURE: 322800 -55.9301 25.5271 48.6988 25.5285 -226.822 56.4406 48.6986 56.4402 -244.435 GPRESSURE: 322800 25.283 21.4668 70.5361 51.287 -235.671 -5.31304 149.626 169.593 -210.058 PRESSAVG: 322800 28.3204 -38.1654 9.87508 -38.1654 -22.2032 54.6388 9.87511 54.6387 14.6918 GPRESSAVG: 322800 30.1631 -37.5033 11.6842 -36.7677 -22.4692 55.5138 10.763 52.3848 13.6821 TIMING: 322800 CPU: 1015.97, 0.00314667/step Wall: 1015.97, 0.00314667/step, 4.08822 hours remaining, 233.214844 MB of memory in use. ENERGY: 322800 4007.4114 20403.4430 14408.6572 240.8065 -203565.4162 2651.2970 0.0000 0.0000 52124.3784 -109729.4226 299.5595 -161853.8010 -109365.5746 299.8175 -175.7291 -140.1489 761178.5505 6.9364 7.1253 PRESSURE: 323000 -118.432 -35.6979 2.77302 -35.6989 164.777 90.8328 2.77368 90.8334 -242.438 GPRESSURE: 323000 -153.822 90.5225 -66.6695 -46.8638 184.88 70.0691 55.5121 142.311 -140.838 PRESSAVG: 323000 5.47468 22.7017 68.3165 22.7017 23.1315 -16.9384 68.3165 -16.9383 18.6638 GPRESSAVG: 323000 5.09919 23.0226 67.4488 22.8735 23.3282 -16.3486 67.5703 -17.5416 19.271 TIMING: 323000 CPU: 1016.61, 0.0031833/step Wall: 1016.61, 0.0031833/step, 4.13563 hours remaining, 233.214844 MB of memory in use. ENERGY: 323000 3948.9303 20452.2615 14479.3377 236.2772 -203782.3236 2710.0586 0.0000 0.0000 52438.3846 -109517.0737 301.3641 -161955.4582 -109159.0998 299.8151 -65.3645 -36.5932 758735.6556 15.7567 15.8995 PRESSURE: 323200 27.3327 -86.0803 -307.874 -86.0802 -13.5624 -154.436 -307.874 -154.435 -287.687 GPRESSURE: 323200 95.3596 -4.43289 -276.779 -141.643 51.8447 -135.008 -376.03 -62.6464 -313.953 PRESSAVG: 323200 13.8061 -100.39 -43.6174 -100.39 25.4574 -30.9127 -43.6174 -30.9128 -22.1039 GPRESSAVG: 323200 12.2893 -102.037 -40.9907 -100.744 26.3284 -32.0101 -48.0079 -29.7512 -21.612 TIMING: 323200 CPU: 1017.23, 0.00313516/step Wall: 1017.23, 0.00313516/step, 4.07293 hours remaining, 233.214844 MB of memory in use. ENERGY: 323200 4118.1657 20403.1673 14538.0924 238.3328 -203268.8143 2599.6893 0.0000 0.0000 51983.2071 -109388.1598 298.7482 -161371.3668 -109027.4908 299.5360 -91.3056 -55.5829 761309.7498 5.7199 5.6686 PRESSURE: 323400 -150.078 -12.9356 174.505 -12.9358 -345.007 -74.3011 174.504 -74.2996 341.445 GPRESSURE: 323400 -86.1372 6.1218 192.74 27.6173 -270.944 -123.478 237.097 -40.0401 301.998 PRESSAVG: 323400 -12.8528 -42.9302 40.3423 -42.9302 -23.0788 -26.5916 40.3423 -26.5915 1.87106 GPRESSAVG: 323400 -12.8814 -42.4832 37.3806 -46.1695 -22.644 -25.5892 46.8265 -26.0548 1.45369 TIMING: 323400 CPU: 1017.87, 0.00315587/step Wall: 1017.87, 0.00315587/step, 4.09965 hours remaining, 233.214844 MB of memory in use. ENERGY: 323400 4091.6833 20535.8235 14447.5444 253.8895 -203124.2773 2352.8816 0.0000 0.0000 52139.7470 -109302.7081 299.6478 -161442.4551 -108950.0153 300.0382 -51.2133 -18.3612 759727.7857 -11.3535 -11.3572 PRESSURE: 323600 109.123 -128.178 80.4797 -128.178 -83.6541 -33.9074 80.48 -33.9071 208.142 GPRESSURE: 323600 108.342 34.5286 17.1141 -136.946 -22.3108 -83.7369 34.3016 78.1643 225.637 PRESSAVG: 323600 38.8261 -40.9533 3.37272 -40.9532 -13.0602 -52.1598 3.37273 -52.1598 -8.30573 GPRESSAVG: 323600 38.7173 -39.9095 3.9262 -38.6785 -13.8711 -51.716 -1.13803 -53.302 -7.71454 TIMING: 323600 CPU: 1018.49, 0.00313079/step Wall: 1018.49, 0.00313079/step, 4.06689 hours remaining, 233.214844 MB of memory in use. ENERGY: 323600 3957.0915 20714.4250 14417.9419 235.1072 -202974.4940 2500.6066 0.0000 0.0000 51988.9325 -109160.3893 298.7811 -161149.3218 -108808.8952 299.8000 77.8704 103.8891 760037.0927 5.8201 5.7105 PRESSURE: 323800 203.042 -17.0144 -202.609 -17.0134 -140.21 68.0896 -202.609 68.0885 -143.765 GPRESSURE: 323800 143.947 -26.8556 -242.025 -31.0675 -72.2984 123.929 -57.8228 165.657 -69.3501 PRESSAVG: 323800 6.29842 -20.4439 -20.6673 -20.4439 -28.1591 12.7805 -20.6672 12.7805 2.67972 GPRESSAVG: 323800 6.89633 -20.2991 -22.7641 -20.6804 -28.7945 11.2674 -17.9265 12.6926 2.44167 TIMING: 323800 CPU: 1019.13, 0.00316745/step Wall: 1019.13, 0.00316745/step, 4.11434 hours remaining, 233.214844 MB of memory in use. ENERGY: 323800 3958.5049 20528.1801 14486.6982 247.9503 -203112.5772 2553.9729 0.0000 0.0000 52205.1320 -109132.1387 300.0236 -161337.2706 -108778.1063 300.1384 -26.9777 0.7662 760152.6045 -6.3937 -6.4855 PRESSURE: 324000 551.74 111.973 -84.9079 111.972 -3.77869 -255.603 -84.9079 -255.604 81.9345 GPRESSURE: 324000 448.683 177.892 -113.755 20.4775 131.054 -178.485 29.3325 -195.123 124.277 PRESSAVG: 324000 69.9753 -59.9626 -44.2793 -59.9626 -48.4394 7.89645 -44.2793 7.89648 -1.27755 GPRESSAVG: 324000 69.7191 -59.4142 -43.804 -60.4071 -47.5312 8.3887 -43.5776 8.39247 -1.79543 TIMING: 324000 CPU: 1019.76, 0.00317645/step Wall: 1019.76, 0.00317645/step, 4.12586 hours remaining, 233.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 324000 3989.4207 20457.3209 14474.6400 252.9305 -203178.0069 2542.7123 0.0000 0.0000 52439.3645 -109021.6180 301.3697 -161460.9825 -108658.3608 299.8306 209.9651 234.6716 760538.4882 6.7528 6.7975 PRESSURE: 324200 -225.348 -69.3985 26.2302 -69.3989 -52.6678 6.8856 26.2297 6.88499 321.942 GPRESSURE: 324200 -216.754 19.21 93.2302 -29.2299 -4.85415 -63.8808 -88.4989 -60.2785 346.833 PRESSAVG: 324200 -3.03205 -60.3708 -3.17614 -60.3709 19.4845 10.7472 -3.17612 10.7472 7.03733 GPRESSAVG: 324200 -2.48047 -60.2589 -2.15552 -58.9386 18.9744 11.3368 -5.57009 10.9748 6.99299 TIMING: 324200 CPU: 1020.39, 0.00315394/step Wall: 1020.39, 0.00315394/step, 4.09644 hours remaining, 233.214844 MB of memory in use. ENERGY: 324200 3965.1299 20572.3106 14480.6689 247.0788 -202942.5854 2472.7340 0.0000 0.0000 52192.0629 -109012.6003 299.9485 -161204.6632 -108652.8610 300.2930 14.6421 41.7417 762108.5153 7.8299 7.8290 LDB: ============= START OF LOAD BALANCING ============== 1032.79 LDB: ============== END OF LOAD BALANCING =============== 1032.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1032.79 LDB: ============= START OF LOAD BALANCING ============== 1033.11 LDB: Largest compute 7034 load 0.032538 is 16.6% of average load 0.195580 LDB: Average compute 0.004383 is 2.2% of average load 0.195580 LDB: TIME 1033.11 LOAD: AVG 0.19558 MAX 0.215059 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.746 MB LDB: TIME 1033.11 LOAD: AVG 0.19558 MAX 0.215059 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 1033.11 LOAD: AVG 0.19558 MAX 0.215059 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 1033.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1033.12 PRESSURE: 324400 34.2157 -120.903 43.8091 -120.903 -26.948 22.0006 43.8091 22.0008 55.4294 GPRESSURE: 324400 -55.6545 23.7882 40.7122 -88.8064 39.2761 23.7138 47.5512 10.7792 153.19 PRESSAVG: 324400 -21.6207 -25.6508 -21.7707 -25.6508 -27.1727 -37.6944 -21.7707 -37.6944 12.9076 GPRESSAVG: 324400 -22.0521 -27.046 -24.1842 -26.7073 -27.9907 -38.7502 -20.3644 -39.3024 13.9122 TIMING: 324400 CPU: 1021.04, 0.00323794/step Wall: 1021.04, 0.00323794/step, 4.20536 hours remaining, 230.542969 MB of memory in use. ENERGY: 324400 3924.2097 20643.4514 14425.6804 237.4398 -203085.3845 2627.5615 0.0000 0.0000 52022.8472 -109204.1945 298.9760 -161227.0417 -108850.5731 300.3867 20.8991 45.6038 760172.2450 -11.9619 -12.0435 PRESSURE: 324600 -171.27 -30.703 8.69699 -30.7029 74.076 -85.0462 8.69607 -85.0459 -124.722 GPRESSURE: 324600 -149.516 116.208 40.3733 24.4614 170.878 -107.913 121.225 57.2238 -147.574 PRESSAVG: 324600 -15.9749 -12.8179 3.24568 -12.8179 29.398 -17.3199 3.24563 -17.3198 -6.6044 GPRESSAVG: 324600 -15.3946 -12.0543 5.22594 -14.2403 30.5976 -17.1086 2.60838 -15.0672 -8.08952 TIMING: 324600 CPU: 1021.67, 0.00315913/step Wall: 1021.67, 0.00315913/step, 4.10284 hours remaining, 230.582031 MB of memory in use. ENERGY: 324600 3926.5665 20590.6244 14470.2236 247.7211 -203090.4905 2305.9269 0.0000 0.0000 52122.2731 -109427.1549 299.5474 -161549.4280 -109066.2437 300.2195 -73.9721 -42.0706 760460.1065 2.2729 2.3712 PRESSURE: 324800 -265.011 34.5254 238.993 34.526 -74.8048 0.0586239 238.993 0.058493 -19.5221 GPRESSURE: 324800 -149.7 81.5933 239.424 -7.75683 -89.51 28.2128 204.559 -36.3328 -32.1469 PRESSAVG: 324800 -78.631 1.08236 32.8871 1.08231 73.9676 -14.7913 32.8871 -14.7912 2.38596 GPRESSAVG: 324800 -78.271 1.27622 34.1182 3.10231 73.1018 -14.6056 30.2453 -16.2047 3.21622 TIMING: 324800 CPU: 1022.3, 0.00314338/step Wall: 1022.3, 0.00314338/step, 4.0822 hours remaining, 230.582031 MB of memory in use. ENERGY: 324800 3976.4038 20571.0989 14445.9720 258.0992 -203322.3375 2447.5431 0.0000 0.0000 52130.4544 -109492.7661 299.5944 -161623.2205 -109135.2281 299.5183 -119.7794 -90.4521 760571.2287 -0.7592 -0.6510 PRESSURE: 325000 -143.553 71.2246 118.467 71.2235 -354.015 -151.506 118.467 -151.505 -107.681 GPRESSURE: 325000 -132.458 48.2531 218.353 56.9718 -294.947 -184.479 105.676 -137.836 -80.7024 PRESSAVG: 325000 7.10735 -39.4665 9.00094 -39.4666 64.5925 -35.1957 9.00097 -35.1957 -9.94364 GPRESSAVG: 325000 6.86348 -37.7433 8.02343 -41.7619 66.5016 -35.2444 11.699 -35.4722 -11.1661 TIMING: 325000 CPU: 1022.92, 0.00312197/step Wall: 1022.92, 0.00312197/step, 4.05422 hours remaining, 230.582031 MB of memory in use. ENERGY: 325000 3965.5664 20463.9143 14442.7263 244.5221 -202921.5378 2195.5800 0.0000 0.0000 52146.6363 -109462.5925 299.6874 -161609.2288 -109096.9280 299.4989 -201.7499 -169.3690 760777.3807 20.5854 20.7330 PRESSURE: 325200 44.6208 -176.134 28.2583 -176.134 -447.006 -320.389 28.2568 -320.388 -419.051 GPRESSURE: 325200 10.7267 -202.646 -47.4363 4.7617 -411.08 -248.98 194.281 -304.913 -336.899 PRESSAVG: 325200 -22.9527 -17.5992 -8.15831 -17.5992 34.6099 -33.7268 -8.15829 -33.7268 35.9296 GPRESSAVG: 325200 -22.1534 -19.2586 -10.3391 -14.9461 33.9361 -34.2422 -9.77746 -31.7901 36.1677 TIMING: 325200 CPU: 1023.55, 0.00314308/step Wall: 1023.55, 0.00314308/step, 4.08146 hours remaining, 230.601562 MB of memory in use. ENERGY: 325200 3975.3152 20674.9607 14429.6999 260.3798 -203562.2720 2628.9015 0.0000 0.0000 52144.9801 -109448.0348 299.6779 -161593.0149 -109094.7026 299.8914 -273.8120 -245.7506 760587.1399 15.8623 15.9835 PRESSURE: 325400 83.5434 -8.05207 152.982 -8.05228 -58.7982 170.798 152.981 170.799 92.6742 GPRESSURE: 325400 126.713 -75.0919 227.418 -83.2235 3.98124 120.374 387.68 206.008 76.9462 PRESSAVG: 325400 -0.629362 -52.0554 -14.3718 -52.0554 -14.3378 14.1559 -14.3719 14.1559 23.8803 GPRESSAVG: 325400 -0.100083 -51.4848 -11.6098 -52.9512 -15.0602 16.0221 -13.7209 12.6203 24.2607 TIMING: 325400 CPU: 1024.19, 0.00316362/step Wall: 1024.19, 0.00316362/step, 4.10796 hours remaining, 230.601562 MB of memory in use. ENERGY: 325400 3943.4788 20549.5976 14469.8529 262.1094 -203389.0533 2546.0597 0.0000 0.0000 52119.5916 -109498.3634 299.5320 -161617.9550 -109140.8806 299.1541 39.1398 69.2135 760653.7603 2.9710 3.0335 PRESSURE: 325600 -162.266 -111.619 -55.2985 -111.618 153.61 27.2785 -55.2995 27.2779 -11.8098 GPRESSURE: 325600 -90.7361 -140.535 -75.1521 -43.4156 71.3615 50.9838 -30.9582 -11.9015 81.4187 PRESSAVG: 325600 -22.2106 -17.0588 -7.81998 -17.0588 10.629 27.0825 -7.81995 27.0825 -13.4163 GPRESSAVG: 325600 -21.822 -20.0174 -9.07175 -17.7054 9.95275 25.0117 -9.16366 28.5342 -12.7148 TIMING: 325600 CPU: 1024.82, 0.00316673/step Wall: 1024.82, 0.00316673/step, 4.11182 hours remaining, 230.601562 MB of memory in use. ENERGY: 325600 4013.4563 20514.5892 14467.5054 221.9922 -203333.3699 2462.1021 0.0000 0.0000 52039.4493 -109614.2753 299.0714 -161653.7246 -109255.6489 299.4972 -6.8217 20.6814 759806.1329 -8.3327 -8.1947 PRESSURE: 325800 13.738 128.208 -49.7207 128.208 -172.23 -87.9706 -49.7203 -87.9701 -118.456 GPRESSURE: 325800 -18.5522 293.355 6.08019 122.472 -157.85 -22.4832 -105.106 -190.057 -3.1913 PRESSAVG: 325800 6.61524 -15.7158 -8.49634 -15.7158 -18.0649 20.376 -8.49637 20.376 -35.9894 GPRESSAVG: 325800 5.21418 -13.0633 -7.89657 -14.0377 -17.3873 21.0017 -8.07105 18.7108 -35.3965 TIMING: 325800 CPU: 1025.45, 0.00315021/step Wall: 1025.45, 0.00315021/step, 4.0902 hours remaining, 230.601562 MB of memory in use. ENERGY: 325800 4013.2561 20474.0565 14510.6721 246.3123 -203008.1001 2339.1146 0.0000 0.0000 51964.1314 -109460.5571 298.6386 -161424.6886 -109092.7543 299.5527 -92.3162 -59.8647 759902.5762 -15.8130 -15.8565 PRESSURE: 326000 -148.082 -249.132 27.8413 -249.132 -204.934 -195.018 27.8415 -195.018 110.98 GPRESSURE: 326000 -129.082 -199.028 23.4111 -226.675 -170.294 -209.526 -8.317 -199.754 155.679 PRESSAVG: 326000 -34.3901 13.5518 9.65481 13.5517 14.4949 -12.6855 9.65475 -12.6854 7.50611 GPRESSAVG: 326000 -34.7906 12.5734 10.1587 11.2919 15.0788 -12.4841 10.4567 -10.2902 6.97527 TIMING: 326000 CPU: 1026.08, 0.00315946/step Wall: 1026.08, 0.00315946/step, 4.10204 hours remaining, 230.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 326000 3995.8561 20500.1681 14478.1199 257.3460 -202954.8015 2321.5131 0.0000 0.0000 52134.0153 -109267.7830 299.6149 -161401.7983 -108910.6935 299.6895 -80.6787 -47.8988 760146.8037 -4.1297 -4.2455 PRESSURE: 326200 210.144 177.351 393.218 177.35 67.3748 -227.257 393.217 -227.258 -109.638 GPRESSURE: 326200 162.773 108.63 335.716 94.227 121.818 -180.357 259.931 -122.297 -32.6213 PRESSAVG: 326200 -41.7219 -4.62674 -27.1021 -4.6267 24.307 6.47742 -27.1021 6.47744 16.9045 GPRESSAVG: 326200 -40.9335 -5.38296 -26.7423 -5.38119 23.683 7.0582 -28.3462 6.44746 16.3256 TIMING: 326200 CPU: 1026.71, 0.00316692/step Wall: 1026.71, 0.00316692/step, 4.11155 hours remaining, 230.601562 MB of memory in use. ENERGY: 326200 3983.8977 20460.9932 14464.3056 255.7901 -203119.0563 2343.0437 0.0000 0.0000 52346.2344 -109264.7917 300.8345 -161611.0260 -108902.5728 300.1304 55.9603 83.9899 762930.7601 -0.1701 -0.3083 PRESSURE: 326400 -214.441 -202.977 -27.5452 -202.976 -179.333 86.3084 -27.5453 86.3096 -341.132 GPRESSURE: 326400 -173.008 -212.885 6.92698 -254.725 -147.516 84.6252 -48.3081 18.3599 -348.999 PRESSAVG: 326400 -17.9089 -41.1906 4.01382 -41.1906 13.1632 -3.19902 4.01378 -3.199 2.85844 GPRESSAVG: 326400 -18.5105 -42.4409 1.68644 -40.1801 13.7109 -3.66906 4.9686 -4.72164 2.91902 TIMING: 326400 CPU: 1027.35, 0.00315735/step Wall: 1027.35, 0.00315735/step, 4.09894 hours remaining, 230.601562 MB of memory in use. ENERGY: 326400 4016.5569 20407.9835 14504.7949 264.7357 -203712.6952 2720.1630 0.0000 0.0000 52481.5154 -109316.9459 301.6120 -161798.4613 -108952.3178 300.1460 -244.9684 -223.1741 762425.5784 -0.6291 -0.6269 PRESSURE: 326600 -230.464 -25.1798 -72.7955 -25.1786 -226.078 -3.49561 -72.7946 -3.49562 -184.242 GPRESSURE: 326600 -198.859 -70.0893 22.23 -38.7852 -224.749 -57.7759 -11.1249 25.2969 -125.671 PRESSAVG: 326600 -36.7881 -73.6094 3.07628 -73.6094 -24.6158 24.7848 3.07625 24.7847 1.71183 GPRESSAVG: 326600 -36.5564 -74.6788 3.43554 -74.0505 -25.1706 24.2388 3.03694 27.2093 1.18425 TIMING: 326600 CPU: 1027.98, 0.00314823/step Wall: 1027.98, 0.00314823/step, 4.08693 hours remaining, 230.601562 MB of memory in use. ENERGY: 326600 3962.4698 20478.2384 14525.5625 257.8900 -203193.9464 2534.2747 0.0000 0.0000 51964.6712 -109470.8399 298.6417 -161435.5111 -109115.8924 299.6957 -213.5949 -183.0928 762293.8075 -19.8974 -20.1809 PRESSURE: 326800 365.829 188.121 43.0328 188.121 100.619 244.993 43.0338 244.992 228.019 GPRESSURE: 326800 387.719 194.356 72.4473 140.95 146.47 287.657 171.458 234.148 234.704 PRESSAVG: 326800 30.7214 10.1533 15.329 10.1533 0.689242 12.8583 15.329 12.8583 -2.16072 GPRESSAVG: 326800 29.8225 13.4724 15.883 9.22955 0.327561 13.1115 15.0719 11.9149 -0.732063 TIMING: 326800 CPU: 1028.6, 0.00313819/step Wall: 1028.6, 0.00313819/step, 4.07372 hours remaining, 230.601562 MB of memory in use. ENERGY: 326800 3977.1791 20423.7494 14481.2956 226.9890 -203648.7137 2745.6327 0.0000 0.0000 52240.3557 -109553.5122 300.2260 -161793.8680 -109182.7150 299.0743 231.4887 256.2976 760158.7296 9.7500 9.8060 PRESSURE: 327000 -218.993 -102.524 -154.458 -102.524 -137.272 -56.9351 -154.457 -56.9347 77.9521 GPRESSURE: 327000 -201.448 -57.7882 -171.601 -124.344 -58.5593 -63.1427 -196.15 39.4683 42.318 PRESSAVG: 327000 -53.6068 -33.0441 6.28616 -33.0441 25.7594 25.5639 6.28611 25.5638 22.2595 GPRESSAVG: 327000 -52.6683 -33.6437 6.30698 -30.6488 25.9658 25.1495 6.73826 26.4092 20.7204 TIMING: 327000 CPU: 1029.23, 0.00314056/step Wall: 1029.23, 0.00314056/step, 4.07662 hours remaining, 230.601562 MB of memory in use. ENERGY: 327000 3957.4967 20602.1178 14497.1327 254.1395 -203170.3972 2268.1902 0.0000 0.0000 52006.0891 -109585.2313 298.8797 -161591.3204 -109232.6979 299.4533 -92.7708 -72.5632 760809.8511 -1.8626 -1.9941 PRESSURE: 327200 155.109 -192.59 13.3334 -192.591 -5.57919 -67.7563 13.3335 -67.7567 -232.349 GPRESSURE: 327200 196.236 -155.077 -24.4206 -126.392 -28.2042 -13.7904 54.0297 51.5884 -168.393 PRESSAVG: 327200 -6.25262 -37.3921 -38.8116 -37.3921 -5.47142 31.9081 -38.8117 31.908 14.295 GPRESSAVG: 327200 -6.03942 -38.9349 -39.0976 -39.1449 -6.69875 32.0415 -39.0409 32.0738 15.9931 TIMING: 327200 CPU: 1029.86, 0.00313205/step Wall: 1029.86, 0.00313205/step, 4.06541 hours remaining, 230.601562 MB of memory in use. ENERGY: 327200 3997.6600 20545.2495 14382.5799 248.2051 -203373.7713 2581.9381 0.0000 0.0000 52063.8585 -109554.2803 299.2117 -161618.1388 -109192.8353 299.3130 -27.6061 -0.1205 760332.0543 0.8570 1.0850 PRESSURE: 327400 -222.751 -17.2365 -154.998 -17.2371 -291.208 162.707 -154.997 162.707 -156.503 GPRESSURE: 327400 -108.959 -14.9735 -106.511 -48.0043 -278.437 55.4532 -162.588 163.264 -176.181 PRESSAVG: 327400 -17.8586 -65.4296 -23.5127 -65.4296 -7.0544 55.0346 -23.5127 55.0346 18.825 GPRESSAVG: 327400 -17.2804 -63.6819 -22.3322 -64.3898 -6.41965 54.7939 -24.1514 54.5328 17.9933 TIMING: 327400 CPU: 1030.49, 0.00315424/step Wall: 1030.49, 0.00315424/step, 4.09402 hours remaining, 230.601562 MB of memory in use. ENERGY: 327400 4004.4782 20413.9883 14445.9946 244.3556 -203468.0380 2624.9806 0.0000 0.0000 52144.3132 -109589.9276 299.6741 -161734.2408 -109228.9354 299.3247 -223.4874 -187.8587 761960.1708 -2.0293 -1.9022 PRESSURE: 327600 297.768 -232.164 27.6733 -232.165 -123.629 204.085 27.6737 204.085 222.245 GPRESSURE: 327600 333.896 -267.889 93.2375 -190.496 -70.377 225.042 -10.8407 133.206 211.297 PRESSAVG: 327600 -11.3339 -45.6525 -20.6824 -45.6525 -19.2743 5.60616 -20.6823 5.60606 7.95116 GPRESSAVG: 327600 -12.4674 -45.7231 -23.2695 -47.1195 -19.2864 6.73229 -19.307 4.91717 9.00228 TIMING: 327600 CPU: 1031.12, 0.00315556/step Wall: 1031.12, 0.00315556/step, 4.09556 hours remaining, 230.601562 MB of memory in use. ENERGY: 327600 3944.6355 20592.6536 14398.6591 235.5718 -203844.7128 2865.4626 0.0000 0.0000 52001.4309 -109806.2992 298.8529 -161807.7301 -109459.9127 298.6619 132.1279 158.2718 761020.9603 -7.5524 -7.5838 PRESSURE: 327800 271.504 18.1342 -121.28 18.1338 423.371 -117.261 -121.28 -117.261 369.627 GPRESSURE: 327800 416.369 66.5985 -71.7177 -12.9647 393.175 -40.5283 -233.612 -28.7359 351.822 PRESSAVG: 327800 3.16854 -54.877 9.44845 -54.877 -5.66911 28.3208 9.44844 28.3209 15.1293 GPRESSAVG: 327800 4.17446 -53.601 12.4874 -55.1285 -6.1735 26.9585 6.47977 29.6452 14.4075 TIMING: 327800 CPU: 1031.75, 0.00315263/step Wall: 1031.75, 0.00315263/step, 4.09159 hours remaining, 230.601562 MB of memory in use. ENERGY: 327800 3975.2201 20315.3733 14475.2409 242.4343 -204122.9026 3145.5144 0.0000 0.0000 52181.1415 -109787.9781 299.8857 -161969.1196 -109426.7325 299.2451 354.8339 387.1219 760955.6163 4.2096 4.1362 PRESSURE: 328000 295.736 -96.8237 182.787 -96.8243 -156.943 -30.1791 182.786 -30.1803 126.741 GPRESSURE: 328000 325.92 -129.556 177.884 -71.2147 -154.43 -98.9862 263.235 -44.3247 177.112 PRESSAVG: 328000 27.2174 -0.08849 13.7514 -0.0884645 -8.25647 35.0508 13.7514 35.0508 20.5931 GPRESSAVG: 328000 26.27 -1.22625 14.6606 0.00714315 -6.47669 37.9234 15.2264 33.2607 20.0389 TIMING: 328000 CPU: 1032.38, 0.00314208/step Wall: 1032.38, 0.00314208/step, 4.07772 hours remaining, 230.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 328000 3884.7390 20594.9499 14505.6123 248.0333 -203729.3824 2716.2106 0.0000 0.0000 51943.2603 -109836.5771 298.5186 -161779.8374 -109488.4411 298.6622 88.5112 116.2006 759364.4209 13.1847 13.2774 PRESSURE: 328200 184.131 -177.79 -143.194 -177.791 67.6771 -10.2693 -143.194 -10.2687 -86.5895 GPRESSURE: 328200 142.001 -138.903 -89.3368 -153.109 162.636 -50.06 -211.74 -35.2584 -53.2915 PRESSAVG: 328200 20.7397 -14.8771 5.95346 -14.877 -33.8748 76.5066 5.95345 76.5066 -13.6314 GPRESSAVG: 328200 21.2095 -14.5421 5.48093 -12.6956 -34.5086 73.3572 6.27556 78.37 -13.2061 TIMING: 328200 CPU: 1033.01, 0.00315048/step Wall: 1033.01, 0.00315048/step, 4.08844 hours remaining, 230.601562 MB of memory in use. ENERGY: 328200 3954.1685 20449.0819 14433.2864 258.1454 -203703.6817 2792.3387 0.0000 0.0000 52018.9689 -109797.6919 298.9537 -161816.6608 -109430.6009 298.8346 55.0728 83.7819 761066.5343 -8.9222 -8.8351 LDB: ============= START OF LOAD BALANCING ============== 1045.41 LDB: ============== END OF LOAD BALANCING =============== 1045.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1045.41 LDB: ============= START OF LOAD BALANCING ============== 1045.73 LDB: Largest compute 7034 load 0.032779 is 16.7% of average load 0.195720 LDB: Average compute 0.004385 is 2.2% of average load 0.195720 LDB: TIME 1045.73 LOAD: AVG 0.19572 MAX 0.215057 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.75 MB LDB: TIME 1045.73 LOAD: AVG 0.19572 MAX 0.215057 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.988 MB LDB: TIME 1045.73 LOAD: AVG 0.19572 MAX 0.215057 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.988 MB LDB: ============== END OF LOAD BALANCING =============== 1045.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1045.74 PRESSURE: 328400 199.913 -49.6933 -93.2261 -49.6933 -179.623 -67.0647 -93.2251 -67.0649 -406.218 GPRESSURE: 328400 299.407 -96.7242 -63.2437 -8.21761 -150.391 -101.162 86.5967 -5.02721 -452.983 PRESSAVG: 328400 20.3798 -9.07631 1.4538 -9.07637 6.92434 -18.8171 1.4538 -18.8171 2.51764 GPRESSAVG: 328400 20.5127 -8.09942 -0.459371 -10.3377 6.28709 -17.1826 3.28773 -20.0675 2.68699 TIMING: 328400 CPU: 1033.65, 0.00322807/step Wall: 1033.65, 0.00322807/step, 4.18896 hours remaining, 233.132812 MB of memory in use. ENERGY: 328400 4023.9523 20382.8085 14404.9908 217.8641 -203581.6598 2574.4542 0.0000 0.0000 51951.6791 -110025.9108 298.5670 -161977.5899 -109658.4459 298.7828 -128.6426 -101.3223 760337.5562 9.9406 9.8289 PRESSURE: 328600 -632.804 -16.4224 -214.925 -16.4227 -174.306 -4.23836 -214.925 -4.23863 -173.802 GPRESSURE: 328600 -502.347 43.1914 -205.475 -69.0726 -121.574 -29.8489 -260.18 45.6501 -249.423 PRESSAVG: 328600 -16.1644 -66.8979 -37.9273 -66.8979 -1.56991 47.4899 -37.9273 47.4899 4.33913 GPRESSAVG: 328600 -17.6006 -66.6435 -37.0099 -67.5872 0.0449371 45.5618 -39.7511 47.8746 4.24928 TIMING: 328600 CPU: 1034.28, 0.00312734/step Wall: 1034.28, 0.00312734/step, 4.05807 hours remaining, 233.335938 MB of memory in use. ENERGY: 328600 4057.8308 20411.0043 14439.7570 236.9944 -203398.7644 2551.4576 0.0000 0.0000 51771.0456 -109930.6746 297.5289 -161701.7202 -109571.0747 298.1934 -326.9705 -291.1146 761700.4647 -4.4651 -4.4355 PRESSURE: 328800 -91.0189 94.2239 -92.8831 94.2226 64.8305 -26.0069 -92.8827 -26.0077 176.424 GPRESSURE: 328800 -47.9409 48.3297 -25.7065 -13.7888 77.6633 -77.9214 -184.545 22.3713 221.526 PRESSAVG: 328800 2.03467 -18.6236 -55.6715 -18.6236 52.6384 31.9969 -55.6714 31.9969 -26.4168 GPRESSAVG: 328800 3.43052 -20.6523 -56.6227 -18.4523 50.1894 32.9065 -53.3649 32.0515 -25.2527 TIMING: 328800 CPU: 1034.91, 0.00314655/step Wall: 1034.91, 0.00314655/step, 4.08282 hours remaining, 233.335938 MB of memory in use. ENERGY: 328800 3953.1245 20416.3815 14497.2721 244.5025 -203333.6352 2428.1616 0.0000 0.0000 51946.5238 -109847.6693 298.5374 -161794.1931 -109486.3036 298.6368 50.0785 83.7494 759629.1239 9.4187 9.4557 PRESSURE: 329000 276.178 40.7498 86.8194 40.7501 20.2674 0.444928 86.8199 0.4437 326.373 GPRESSURE: 329000 184.504 183.409 90.3005 9.46195 178.495 11.7939 -25.3731 -19.4861 338.437 PRESSAVG: 329000 -16.7029 -27.855 0.272896 -27.855 -17.6185 44.6099 0.272861 44.6099 15.6175 GPRESSAVG: 329000 -16.123 -28.0764 0.0236382 -24.8719 -16.5072 46.0949 -1.20055 45.6858 14.1114 TIMING: 329000 CPU: 1035.54, 0.00316729/step Wall: 1035.54, 0.00316729/step, 4.10956 hours remaining, 233.335938 MB of memory in use. ENERGY: 329000 4049.9693 20456.2667 14387.3738 239.9891 -203583.5406 2706.7129 0.0000 0.0000 51986.4139 -109756.8149 298.7666 -161743.2289 -109393.4766 299.0254 207.6062 233.8122 760220.6540 -6.2347 -6.1729 PRESSURE: 329200 -3.05562 -100.155 26.1798 -100.155 -132.439 -19.0643 26.1801 -19.065 -59.4024 GPRESSURE: 329200 -78.1509 -87.659 -37.5849 -195.742 72.1371 27.6762 77.4663 -76.6589 -106.727 PRESSAVG: 329200 19.1418 -11.953 -3.47458 -11.953 2.11294 26.4084 -3.47462 26.4085 -4.06515 GPRESSAVG: 329200 18.8176 -9.78458 -2.75164 -14.6999 1.8947 26.7055 -4.28867 24.0722 -3.3159 TIMING: 329200 CPU: 1036.17, 0.00315462/step Wall: 1036.17, 0.00315462/step, 4.09294 hours remaining, 233.335938 MB of memory in use. ENERGY: 329200 3974.6890 20531.4915 14458.6065 206.8835 -203526.4571 2574.5505 0.0000 0.0000 51949.7550 -109830.4811 298.5560 -161780.2361 -109468.3305 298.8884 -64.9656 -37.5802 760200.9936 5.7298 5.7988 PRESSURE: 329400 -28.9955 53.7248 -27.5481 53.7253 285.794 -198.39 -27.5481 -198.39 36.3435 GPRESSURE: 329400 4.81348 66.8423 -114.352 -42.166 275.111 -149.046 34.4056 -160.303 103.511 PRESSAVG: 329400 18.3191 -35.1155 40.8113 -35.1155 3.6013 -35.9734 40.8113 -35.9733 -2.65138 GPRESSAVG: 329400 18.7745 -34.9853 38.3861 -36.8841 4.14236 -36.8378 40.2971 -33.5131 -3.43572 TIMING: 329400 CPU: 1036.81, 0.00317592/step Wall: 1036.81, 0.00317592/step, 4.1204 hours remaining, 233.335938 MB of memory in use. ENERGY: 329400 4035.6874 20434.4415 14427.5220 256.9257 -203656.4372 2596.7261 0.0000 0.0000 52139.1932 -109765.9414 299.6447 -161905.1346 -109409.5707 299.2759 97.7139 127.8120 758327.8169 6.4230 6.4937 PRESSURE: 329600 -205.533 -9.65101 166.054 -9.65137 -30.1628 426.816 166.053 426.817 81.0401 GPRESSURE: 329600 -148.906 -94.9377 165.944 41.0265 -45.5177 346.468 130.524 337.052 111.051 PRESSAVG: 329600 13.3984 -11.0654 -1.95232 -11.0653 -4.3568 49.7672 -1.95237 49.7673 -19.0213 GPRESSAVG: 329600 12.5497 -12.4782 0.170878 -8.6797 -3.85401 49.7626 -1.27606 48.1261 -18.6853 TIMING: 329600 CPU: 1037.44, 0.00315256/step Wall: 1037.44, 0.00315256/step, 4.08992 hours remaining, 233.335938 MB of memory in use. ENERGY: 329600 3983.9364 20419.3493 14432.5628 258.6417 -202986.1341 2265.6849 0.0000 0.0000 51997.6385 -109628.3205 298.8311 -161625.9590 -109254.2578 299.1479 -51.5519 -27.7909 761150.3525 -3.3266 -3.3299 PRESSURE: 329800 97.902 202.002 -20.9761 202.001 -190.005 -179.901 -20.976 -179.901 240.232 GPRESSURE: 329800 93.8543 202.978 -67.3091 231.229 -113.437 -196.975 -87.5688 -80.8917 258.542 PRESSAVG: 329800 -5.62291 24.7694 19.2191 24.7695 -4.42472 61.5787 19.2191 61.5787 20.0624 GPRESSAVG: 329800 -5.42977 24.4527 19.5164 23.8254 -4.66853 60.3686 18.1019 63.3904 20.5851 TIMING: 329800 CPU: 1038.07, 0.00315422/step Wall: 1038.07, 0.00315422/step, 4.0919 hours remaining, 233.335938 MB of memory in use. ENERGY: 329800 3896.0627 20658.5026 14457.8657 215.2141 -203411.2299 2514.4180 0.0000 0.0000 52052.0111 -109617.1557 299.1436 -161669.1668 -109254.0495 298.9501 49.3762 79.6531 761331.3985 3.3383 3.4956 PRESSURE: 330000 20.4857 82.4417 235.211 82.4415 -106.325 -78.7224 235.211 -78.7217 134.756 GPRESSURE: 330000 46.5179 52.766 291.953 -11.9024 -89.5033 -154.815 99.5093 -53.8249 189.263 PRESSAVG: 330000 30.0962 -1.43887 18.9859 -1.43884 -61.8256 -8.15866 18.9859 -8.1586 36.5279 GPRESSAVG: 330000 29.3528 0.624412 19.5849 -3.19478 -61.9263 -8.63636 19.9007 -8.14233 37.4597 TIMING: 330000 CPU: 1038.7, 0.00316862/step Wall: 1038.7, 0.00316862/step, 4.11041 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 330000 3962.6898 20624.8484 14461.9118 246.9257 -203696.6200 2782.1803 0.0000 0.0000 52001.1806 -109616.8834 298.8515 -161618.0640 -109254.2534 299.1796 16.3057 48.7592 761282.2357 1.5995 1.6288 PRESSURE: 330200 164.69 -95.0872 -21.1028 -95.0871 -125.007 -186.542 -21.1031 -186.542 320.338 GPRESSURE: 330200 113.03 -101.447 27.5737 -71.1209 -44.5286 -130.45 35.4212 -112.673 408.646 PRESSAVG: 330200 -2.53185 -16.9244 21.2489 -16.9244 -0.0335521 15.0582 21.249 15.0582 -0.983531 GPRESSAVG: 330200 -2.47356 -18.5578 22.634 -13.8583 0.450391 16.8452 20.57 14.9904 -1.42251 TIMING: 330200 CPU: 1039.33, 0.00315248/step Wall: 1039.33, 0.00315248/step, 4.08929 hours remaining, 233.335938 MB of memory in use. ENERGY: 330200 3990.1374 20606.8495 14488.2670 225.8325 -203564.3934 2624.7609 0.0000 0.0000 52089.0854 -109539.4608 299.3567 -161628.5462 -109181.1069 299.6762 120.0070 159.0491 759855.5896 -1.1830 -1.1486 PRESSURE: 330400 90.7546 -153.407 -104.501 -153.408 -207.337 331.651 -104.501 331.652 56.1082 GPRESSURE: 330400 188.233 -115.087 -184.898 -73.0528 -194.109 273.204 -181.303 120.967 40.5939 PRESSAVG: 330400 -14.7442 -30.6639 -0.0620025 -30.6638 37.1593 42.6881 -0.0619979 42.6881 5.77655 GPRESSAVG: 330400 -14.5962 -28.5466 -1.97424 -31.6067 37.4855 41.1834 -0.344156 41.868 5.79862 TIMING: 330400 CPU: 1039.96, 0.00315282/step Wall: 1039.96, 0.00315282/step, 4.08956 hours remaining, 233.335938 MB of memory in use. ENERGY: 330400 3979.3290 20699.1248 14500.6748 250.5238 -203877.6453 2820.4907 0.0000 0.0000 52094.5364 -109532.9658 299.3880 -161627.5022 -109179.4983 299.0218 -20.1580 11.5727 758679.1337 9.3972 9.5627 PRESSURE: 330600 223.426 119.675 -20.6782 119.676 174.619 135.448 -20.6783 135.448 281.364 GPRESSURE: 330600 296.716 -24.8409 59.816 140.568 188.525 93.8893 -90.4331 213.37 248.021 PRESSAVG: 330600 51.2953 13.9692 2.63678 13.9692 3.00264 20.6521 2.63677 20.6521 9.58533 GPRESSAVG: 330600 51.1497 11.066 3.85202 13.663 3.15376 21.5859 2.47448 21.3705 9.61069 TIMING: 330600 CPU: 1040.6, 0.00316877/step Wall: 1040.6, 0.00316877/step, 4.11007 hours remaining, 233.335938 MB of memory in use. ENERGY: 330600 3954.0040 20743.9926 14538.5761 240.9165 -203837.7750 2821.2778 0.0000 0.0000 52178.9018 -109360.1062 299.8729 -161539.0081 -109005.5440 299.8222 226.4697 244.4206 759546.4875 21.2944 21.3047 PRESSURE: 330800 -73.3612 110.492 -30.8674 110.492 427.227 7.75362 -30.8678 7.75327 -219.406 GPRESSURE: 330800 61.0827 209.955 13.1002 221.569 413.75 -44.6396 65.3543 17.3285 -250.469 PRESSAVG: 330800 25.3235 2.10976 44.6623 2.10974 7.13767 16.3524 44.6623 16.3524 15.7594 GPRESSAVG: 330800 26.4313 3.69698 43.3536 2.15233 5.84279 17.7928 44.8703 15.2347 15.9846 TIMING: 330800 CPU: 1041.23, 0.00317164/step Wall: 1041.23, 0.00317164/step, 4.11362 hours remaining, 233.335938 MB of memory in use. ENERGY: 330800 3941.6653 20679.6349 14476.1276 260.9995 -203352.0058 2583.9685 0.0000 0.0000 52045.8355 -109363.7745 299.1081 -161409.6099 -108993.0864 299.7396 44.8199 74.7880 760653.0452 16.0735 16.0862 PRESSURE: 331000 23.6246 -211.161 82.3274 -211.161 451.617 -18.1906 82.3271 -18.1915 280.406 GPRESSURE: 331000 128.223 -183.595 -19.4803 -149.462 387.929 62.6412 28.8299 -81.5254 334.597 PRESSAVG: 331000 -19.3242 -0.47121 9.06582 -0.471188 55.8727 -20.5157 9.06586 -20.5157 17.6816 GPRESSAVG: 331000 -20.0739 -1.19124 7.72928 -0.10893 56.4875 -21.962 10.0962 -20.7982 17.4197 TIMING: 331000 CPU: 1041.87, 0.00317695/step Wall: 1041.87, 0.00317695/step, 4.12032 hours remaining, 233.335938 MB of memory in use. ENERGY: 331000 3997.4983 20511.3704 14479.2021 271.6874 -203682.2615 2629.4321 0.0000 0.0000 52360.2048 -109432.8664 300.9148 -161793.0712 -109066.9529 299.9022 251.8826 283.5829 760447.4736 18.0767 17.9444 PRESSURE: 331200 -145.671 -187.367 -19.7445 -187.367 -230.367 -172.533 -19.7448 -172.533 -312.365 GPRESSURE: 331200 -146.93 -173.069 -19.0891 -48.8609 -215.865 -231.508 2.73049 -123.127 -215.328 PRESSAVG: 331200 -2.67967 2.17116 -1.28776 2.17113 -22.0899 -30.6783 -1.2878 -30.6782 -4.63877 GPRESSAVG: 331200 -1.14088 3.0256 -1.32829 3.17929 -23.1633 -31.0024 -1.85812 -29.0007 -4.80143 TIMING: 331200 CPU: 1042.5, 0.00314823/step Wall: 1042.5, 0.00314823/step, 4.08291 hours remaining, 233.335938 MB of memory in use. ENERGY: 331200 3997.8995 20547.0723 14501.2269 252.9235 -203143.5542 2119.6108 0.0000 0.0000 52535.6346 -109189.1866 301.9230 -161724.8212 -108820.9536 300.2343 -229.4678 -192.7078 760468.5724 -9.8028 -9.7019 PRESSURE: 331400 26.7067 -54.0742 77.4622 -54.0751 357.352 36.3197 77.4628 36.3198 169.217 GPRESSURE: 331400 91.4331 34.8369 64.6709 57.7132 383.988 87.4684 130.394 -40.6457 165.775 PRESSAVG: 331400 7.95909 -29.4346 -16.887 -29.4346 35.5416 10.3412 -16.887 10.3412 -13.4312 GPRESSAVG: 331400 6.42879 -28.7553 -16.0908 -29.1737 36.2106 8.97862 -19.3433 9.86298 -12.808 TIMING: 331400 CPU: 1043.13, 0.00316659/step Wall: 1043.13, 0.00316659/step, 4.10653 hours remaining, 233.335938 MB of memory in use. ENERGY: 331400 3961.2079 20480.2675 14436.5946 263.2240 -203647.7947 2830.1580 0.0000 0.0000 52259.1824 -109417.1603 300.3342 -161676.3427 -109049.9751 300.2239 184.4251 213.7322 760220.7651 10.0232 9.9438 PRESSURE: 331600 -157.677 -144.366 45.1642 -144.367 -304.131 -36.2745 45.1636 -36.2762 -224.97 GPRESSURE: 331600 -72.8744 -66.0894 -9.22036 -227.172 -305.625 -14.0543 263.413 -160.967 -198.005 PRESSAVG: 331600 -13.3006 1.7687 8.73425 1.76869 51.5773 -5.09888 8.73424 -5.09882 28.3502 GPRESSAVG: 331600 -11.7971 1.321 8.66158 1.94176 51.6554 -3.50503 8.43152 -6.0637 26.6749 TIMING: 331600 CPU: 1043.77, 0.00317261/step Wall: 1043.77, 0.00317261/step, 4.11417 hours remaining, 233.335938 MB of memory in use. ENERGY: 331600 4065.7624 20506.6356 14492.3834 256.6759 -203280.5927 2286.2941 0.0000 0.0000 52308.4983 -109364.3430 300.6177 -161672.8413 -109004.2354 299.7548 -228.9258 -192.1681 759200.0947 22.2090 22.1778 PRESSURE: 331800 -497.897 167.907 -81.8943 167.907 -45.8785 -21.8792 -81.8933 -21.8792 -161.519 GPRESSURE: 331800 -400.091 191.555 26.8218 85.423 -38.5436 -59.9951 -118.458 85.1276 -174.7 PRESSAVG: 331800 54.0914 12.0171 29.112 12.0171 -56.7375 -4.75312 29.112 -4.75311 -6.69814 GPRESSAVG: 331800 52.9593 10.4073 29.1225 11.9546 -56.812 -4.22657 30.1812 -4.80924 -5.23737 TIMING: 331800 CPU: 1044.4, 0.00317679/step Wall: 1044.4, 0.00317679/step, 4.11942 hours remaining, 233.335938 MB of memory in use. ENERGY: 331800 4042.6099 20592.9340 14414.1644 252.8850 -203517.0971 2592.1293 0.0000 0.0000 52226.0626 -109396.3118 300.1439 -161622.3744 -109031.5832 300.0614 -235.0984 -204.4449 762543.8869 -3.1148 -3.0300 PRESSURE: 332000 -9.53164 99.397 92.2056 99.3966 20.5985 141.36 92.2049 141.359 -29.8959 GPRESSURE: 332000 19.5294 66.2546 72.3685 35.3521 43.9714 133.735 81.3051 92.77 0.294584 PRESSAVG: 332000 13.1072 -69.8312 -1.52812 -69.8313 -26.9895 49.4967 -1.52812 49.4967 -11.1896 GPRESSAVG: 332000 14.0906 -69.4663 -2.39061 -70.9425 -27.7438 48.5474 -0.685528 51.1845 -10.7281 TIMING: 332000 CPU: 1045.04, 0.00317569/step Wall: 1045.04, 0.00317569/step, 4.11781 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 332000 4030.3031 20673.4043 14402.6647 240.4436 -203528.9699 2507.3774 0.0000 0.0000 52239.2052 -109435.5716 300.2194 -161674.7768 -109065.5809 299.8012 -6.2763 21.2651 760460.6967 -8.3573 -8.1271 PRESSURE: 332200 17.1454 -123.705 -39.4819 -123.706 37.0251 48.7118 -39.4814 48.711 -43.4005 GPRESSURE: 332200 40.0632 -94.334 -85.7685 -284.777 89.3141 36.0983 -100.593 156.133 -45.1739 PRESSAVG: 332200 12.1078 7.0716 11.2414 7.07159 0.5898 24.7603 11.2413 24.7602 9.1312 GPRESSAVG: 332200 10.8129 9.13541 12.2469 6.82497 2.8669 26.4885 9.92702 22.7804 8.65479 TIMING: 332200 CPU: 1045.67, 0.00316194/step Wall: 1045.67, 0.00316194/step, 4.09981 hours remaining, 233.335938 MB of memory in use. ENERGY: 332200 3966.2017 20776.3166 14440.2214 260.7111 -203675.1986 2529.3259 0.0000 0.0000 52145.5857 -109556.8362 299.6814 -161702.4219 -109208.5421 299.4852 3.5900 28.0678 758693.5290 7.2763 7.4449 LDB: ============= START OF LOAD BALANCING ============== 1058.07 LDB: ============== END OF LOAD BALANCING =============== 1058.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1058.07 LDB: ============= START OF LOAD BALANCING ============== 1058.39 LDB: Largest compute 7034 load 0.032344 is 16.5% of average load 0.195673 LDB: Average compute 0.004405 is 2.3% of average load 0.195673 LDB: TIME 1058.39 LOAD: AVG 0.195673 MAX 0.212986 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.227 MB LDB: TIME 1058.39 LOAD: AVG 0.195673 MAX 0.212986 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.434 MB LDB: TIME 1058.39 LOAD: AVG 0.195673 MAX 0.212986 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.434 MB LDB: ============== END OF LOAD BALANCING =============== 1058.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1058.4 PRESSURE: 332400 311.598 117.168 110.534 117.168 359.912 -87.5443 110.533 -87.544 57.2998 GPRESSURE: 332400 413.293 145.723 175.205 209.608 349.639 -3.24453 26.6193 -5.05996 62.3764 PRESSAVG: 332400 -42.5764 -45.8797 34.955 -45.8797 71.3957 7.98923 34.955 7.98923 12.7957 GPRESSAVG: 332400 -42.1326 -47.6764 32.5966 -44.4576 71.4157 6.64448 36.9103 6.29974 12.9197 TIMING: 332400 CPU: 1046.32, 0.00323684/step Wall: 1046.32, 0.00323684/step, 4.19674 hours remaining, 230.878906 MB of memory in use. ENERGY: 332400 3969.2485 20738.3915 14481.8238 252.0402 -203485.5216 2646.3756 0.0000 0.0000 51884.0177 -109513.6243 298.1782 -161397.6420 -109154.9131 299.6413 242.9363 275.1027 758337.6239 13.8717 14.0676 PRESSURE: 332600 -167.409 -28.3568 -185.118 -28.3562 -193.147 -36.2165 -185.118 -36.2161 50.8643 GPRESSURE: 332600 -77.7628 -24.0407 -127.322 -111.58 -167.618 -65.5215 -51.7213 -6.78923 38.7416 PRESSAVG: 332600 -39.009 1.9929 2.31133 1.99291 39.8526 38.3453 2.31136 38.3452 21.4832 GPRESSAVG: 332600 -39.4497 2.22611 4.82316 0.814881 40.2578 37.2082 0.830546 40.2712 21.3894 TIMING: 332600 CPU: 1046.95, 0.0031713/step Wall: 1046.95, 0.0031713/step, 4.11159 hours remaining, 230.878906 MB of memory in use. ENERGY: 332600 4029.6168 20741.7632 14414.7142 243.5255 -203484.1863 2527.7610 0.0000 0.0000 51839.5348 -109687.2708 297.9225 -161526.8056 -109336.7371 299.1096 -103.2305 -68.8797 760050.6335 7.4423 7.3992 PRESSURE: 332800 214.22 245.865 -21.5768 245.867 -98.6162 44.355 -21.5772 44.3566 224.245 GPRESSURE: 332800 209.63 322.608 -90.9337 238.557 -13.1163 89.0778 -13.7353 -127.346 220.301 PRESSAVG: 332800 31.0706 30.4586 -64.1145 30.4585 -27.6664 1.47813 -64.1145 1.47811 2.62537 GPRESSAVG: 332800 30.4233 29.6892 -65.0848 31.5872 -27.9559 3.09715 -63.688 0.886621 3.45101 TIMING: 332800 CPU: 1047.58, 0.00317286/step Wall: 1047.58, 0.00317286/step, 4.11344 hours remaining, 230.878906 MB of memory in use. ENERGY: 332800 4102.6293 20435.8779 14475.7319 238.2085 -203458.1482 2494.6315 0.0000 0.0000 51905.4479 -109805.6212 298.3013 -161711.0691 -109446.3571 299.1761 113.2829 138.9382 758982.6163 2.0098 1.9728 PRESSURE: 333000 -51.2041 -4.80206 -44.7568 -4.80257 170.669 263.595 -44.7573 263.595 356.855 GPRESSURE: 333000 -44.4757 -36.3875 -19.2497 -6.27133 259.508 225.048 13.5966 233.03 340.365 PRESSAVG: 333000 47.4599 -53.5714 -24.3839 -53.5714 -28.6806 12.8594 -24.3839 12.8593 6.80877 GPRESSAVG: 333000 48.3704 -51.8418 -22.4483 -53.21 -28.8152 13.5724 -24.5104 10.976 6.22672 TIMING: 333000 CPU: 1048.22, 0.00318479/step Wall: 1048.22, 0.00318479/step, 4.12872 hours remaining, 230.878906 MB of memory in use. ENERGY: 333000 3954.6900 20672.1488 14467.4039 247.6684 -203918.0886 2528.3026 0.0000 0.0000 52058.7378 -109989.1371 299.1823 -162047.8749 -109625.1360 298.4797 158.7734 185.1324 759805.8438 8.5293 8.5940 PRESSURE: 333200 -187.375 77.6809 188.874 77.6816 -513.794 -43.3455 188.874 -43.3443 -317.799 GPRESSURE: 333200 -215.098 90.8872 171.842 68.7603 -486.076 -63.5781 161.273 66.5993 -241.223 PRESSAVG: 333200 -1.90126 -6.53974 11.397 -6.53971 -10.4147 20.8652 11.397 20.8653 8.77346 GPRESSAVG: 333200 -3.25934 -6.75921 8.95265 -6.29845 -11.2785 18.7337 11.303 23.7598 9.82668 TIMING: 333200 CPU: 1048.86, 0.00320098/step Wall: 1048.86, 0.00320098/step, 4.14954 hours remaining, 230.878906 MB of memory in use. ENERGY: 333200 4076.1742 20570.8208 14427.1225 251.9565 -203429.1704 2261.1541 0.0000 0.0000 51988.2173 -109853.7250 298.7770 -161841.9423 -109485.3678 298.4422 -339.6559 -314.1323 761816.1830 -1.1808 -1.5704 PRESSURE: 333400 -9.71112 76.3718 87.4613 76.371 1.01272 87.4524 87.4608 87.4513 267.008 GPRESSURE: 333400 -16.8617 140.94 114.299 91.6181 79.9066 156.849 -17.4441 53.0321 280.811 PRESSAVG: 333400 3.61143 -79.2539 31.7697 -79.254 36.0991 38.2541 31.7697 38.2541 15.0171 GPRESSAVG: 333400 2.784 -78.6313 33.8196 -78.8508 37.8452 40.3193 30.7323 37.6616 14.5233 TIMING: 333400 CPU: 1049.5, 0.00317841/step Wall: 1049.5, 0.00317841/step, 4.1201 hours remaining, 230.878906 MB of memory in use. ENERGY: 333400 3934.1854 20558.7330 14398.6637 250.6448 -203636.4568 2700.2597 0.0000 0.0000 51737.0708 -110056.8994 297.3337 -161793.9702 -109704.3773 298.1029 86.1030 114.6186 759828.2187 18.2426 18.3842 PRESSURE: 333600 -54.6212 59.4603 -176.851 59.4602 -218.72 32.271 -176.851 32.2717 -2.69527 GPRESSURE: 333600 -82.4841 40.3551 -153.895 5.05463 -66.6773 89.7855 -107.412 39.2289 -43.9561 PRESSAVG: 333600 3.0953 38.4748 29.1012 38.4748 40.6996 -37.2181 29.1012 -37.218 -0.662036 GPRESSAVG: 333600 3.54504 37.5336 26.7702 35.649 39.8114 -38.2301 28.7922 -36.3751 -0.313018 TIMING: 333600 CPU: 1050.13, 0.00316405/step Wall: 1050.13, 0.00316405/step, 4.10131 hours remaining, 230.878906 MB of memory in use. ENERGY: 333600 3986.8486 20462.7136 14467.6981 259.2463 -203188.1589 2166.8755 0.0000 0.0000 51848.9055 -109995.8714 297.9764 -161844.7769 -109637.3209 298.1828 -92.0122 -64.3725 760412.5958 14.3776 14.3478 PRESSURE: 333800 -80.6334 5.9265 -43.8281 5.92628 -0.0297911 -156.611 -43.8289 -156.611 -123.395 GPRESSURE: 333800 -18.2842 -31.5809 -121.287 45.8964 153.724 -69.7532 -28.0801 -96.6229 -249.061 PRESSAVG: 333800 -0.299917 -41.0048 -34.6888 -41.0048 7.87866 -16.9037 -34.6888 -16.9036 23.6142 GPRESSAVG: 333800 1.89434 -42.2702 -32.9493 -40.5414 7.05697 -17.003 -35.0431 -18.1479 22.5609 TIMING: 333800 CPU: 1050.77, 0.00318209/step Wall: 1050.77, 0.00318209/step, 4.12452 hours remaining, 230.878906 MB of memory in use. ENERGY: 333800 3920.9836 20686.5473 14427.8598 222.0103 -203614.2550 2769.6156 0.0000 0.0000 51797.0651 -109790.1732 297.6784 -161587.2383 -109430.6417 298.4124 -68.0196 -37.8737 761412.7561 10.3976 10.5041 PRESSURE: 334000 -28.0151 -70.3648 129.093 -70.3645 441.262 181.917 129.094 181.917 -125.392 GPRESSURE: 334000 43.6343 -55.9212 145.463 -164.269 432.676 122.528 173.909 142.52 -74.5633 PRESSAVG: 334000 -12.1919 17.279 -56.331 17.2791 51.8128 28.4812 -56.3311 28.4812 -5.85094 GPRESSAVG: 334000 -14.52 18.1525 -57.0312 17.7858 53.0475 28.5276 -56.6413 29.6603 -4.81171 TIMING: 334000 CPU: 1051.4, 0.0031854/step Wall: 1051.4, 0.0031854/step, 4.12863 hours remaining, 230.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 334000 4002.4903 20425.6367 14442.5717 236.0117 -203356.9323 2638.1209 0.0000 0.0000 52090.7201 -109521.3809 299.3661 -161612.1010 -109155.7483 298.9123 95.9518 133.9155 759782.1276 11.2567 11.2386 PRESSURE: 334200 -104.019 -126.902 138.429 -126.902 270.944 -148.648 138.427 -148.648 -37.5966 GPRESSURE: 334200 -58.8776 -154.616 103.551 -99.2251 208.507 -179.411 138.59 -44.8267 53.552 PRESSAVG: 334200 -68.1498 -20.0384 5.0607 -20.0384 76.3539 31.8252 5.06075 31.8253 19.8472 GPRESSAVG: 334200 -67.6206 -22.1779 4.90315 -19.9593 75.6477 31.5144 8.25485 31.9607 19.5824 TIMING: 334200 CPU: 1052.05, 0.00322069/step Wall: 1052.05, 0.00322068/step, 4.17419 hours remaining, 230.878906 MB of memory in use. ENERGY: 334200 4027.2033 20338.3982 14492.8122 240.9797 -203548.4531 2606.5145 0.0000 0.0000 52307.2619 -109535.2834 300.6106 -161842.5453 -109171.7836 299.3667 43.1093 67.7270 759013.1310 9.3504 9.2032 PRESSURE: 334400 -34.9399 1.49025 80.9206 1.49035 -13.7749 59.1827 80.9197 59.1813 51.1574 GPRESSURE: 334400 16.9492 150.464 35.1561 54.9198 108.318 59.0546 12.0085 16.4976 -35.1917 PRESSAVG: 334400 -12.3405 -45.4519 -29.7316 -45.4518 59.0671 -2.22922 -29.7316 -2.22921 -2.04432 GPRESSAVG: 334400 -12.4038 -42.6828 -29.9403 -45.3737 58.8458 -2.86907 -31.3611 -5.40434 -1.77996 TIMING: 334400 CPU: 1052.69, 0.00320537/step Wall: 1052.69, 0.00320537/step, 4.15416 hours remaining, 230.878906 MB of memory in use. ENERGY: 334400 3982.2458 20534.0106 14412.7107 267.0436 -203099.4071 2354.0066 0.0000 0.0000 52216.4212 -109332.9686 300.0885 -161549.3898 -108969.0822 299.1580 0.8142 30.0253 760674.5836 14.8941 14.8874 PRESSURE: 334600 -72.4519 -187.405 99.8488 -187.404 96.1097 82.8167 99.8484 82.8178 -213.862 GPRESSURE: 334600 -65.0967 -233.732 125.907 -194.483 119.414 166.697 103.826 103.068 -151.763 PRESSAVG: 334600 -3.97415 -49.8418 16.1704 -49.8418 2.31788 8.03863 16.1704 8.03869 -8.26605 GPRESSAVG: 334600 -5.13349 -51.4097 16.5269 -51.098 3.74203 8.83295 17.0284 10.8272 -8.51073 TIMING: 334600 CPU: 1053.34, 0.00323192/step Wall: 1053.34, 0.00323192/step, 4.18839 hours remaining, 230.878906 MB of memory in use. ENERGY: 334600 3969.2605 20525.7941 14500.1167 247.5482 -203353.5059 2600.0824 0.0000 0.0000 52034.9535 -109475.7505 299.0456 -161510.7040 -109117.8070 299.5830 -63.4015 -32.4820 760473.8394 -3.3074 -3.3007 PRESSURE: 334800 -297.232 62.0966 179.511 62.0959 -103.827 -69.4323 179.511 -69.4316 -120.65 GPRESSURE: 334800 -224.028 -71.2267 89.878 108.172 -211.28 -131.068 125.114 38.4396 -26.3324 PRESSAVG: 334800 -15.2141 5.46111 29.9872 5.46108 -29.3043 -1.34247 29.9873 -1.34253 -3.65065 GPRESSAVG: 334800 -14.041 4.54202 29.6017 5.91815 -31.7677 -2.10648 28.8278 -0.771433 -2.35127 TIMING: 334800 CPU: 1053.97, 0.00315121/step Wall: 1053.97, 0.00315121/step, 4.08361 hours remaining, 230.878906 MB of memory in use. ENERGY: 334800 4047.2017 20506.9638 14384.9083 228.3955 -202892.9647 2453.7495 0.0000 0.0000 51964.7656 -109306.9803 298.6422 -161271.7460 -108953.4831 299.6717 -173.9031 -153.8801 760522.3827 -16.0564 -16.0533 PRESSURE: 335000 58.3428 -57.2942 -227.566 -57.2943 -149.174 22.6236 -227.565 22.6233 48.2417 GPRESSURE: 335000 73.2344 -53.5519 -291.452 -9.21041 -66.5403 -104.309 -87.3283 83.9693 46.8155 PRESSAVG: 335000 -45.4584 3.74757 7.1435 3.74753 0.791235 15.5348 7.1435 15.5347 11.6172 GPRESSAVG: 335000 -44.6474 5.8688 8.30641 2.68496 1.41351 16.3042 7.77772 14.3059 10.1203 TIMING: 335000 CPU: 1054.6, 0.00316023/step Wall: 1054.6, 0.00316023/step, 4.09513 hours remaining, 230.878906 MB of memory in use. ENERGY: 335000 3965.8104 20366.1410 14435.9508 239.4011 -203501.1317 2537.9804 0.0000 0.0000 52341.8238 -109614.0241 300.8092 -161955.8479 -109246.5523 299.5076 -14.1966 17.8365 758964.2079 -11.0167 -11.0378 PRESSURE: 335200 216.467 273.714 61.009 273.714 -68.7854 -69.4495 61.0092 -69.4491 184.737 GPRESSURE: 335200 194.196 326.24 26.7786 132.981 5.27738 -20.6009 0.747352 -160.051 235.256 PRESSAVG: 335200 38.339 25.3111 -22.0138 25.3112 2.65653 -63.5784 -22.0138 -63.5784 11.1569 GPRESSAVG: 335200 36.6617 24.5575 -22.9959 25.8192 3.71187 -63.8752 -20.7444 -63.0197 11.3052 TIMING: 335200 CPU: 1055.22, 0.00312643/step Wall: 1055.22, 0.00312643/step, 4.05115 hours remaining, 230.878906 MB of memory in use. ENERGY: 335200 3964.5194 20505.2838 14434.5972 240.1597 -203599.7757 2629.1606 0.0000 0.0000 52092.3090 -109733.7458 299.3752 -161826.0548 -109371.4976 299.3629 110.8063 144.9096 757839.7259 17.3842 17.2263 PRESSURE: 335400 50.0159 99.0989 -169.828 99.0992 3.96247 -17.6363 -169.828 -17.6371 -232.644 GPRESSURE: 335400 122.384 162.78 -116.176 54.4358 75.3774 28.3227 -163.024 -9.7514 -284.655 PRESSAVG: 335400 -22.0435 -3.89576 8.63483 -3.89574 14.1219 14.3876 8.63483 14.3876 -15.0214 GPRESSAVG: 335400 -22.0631 -2.9567 9.57091 -4.3269 13.6096 15.4143 7.63861 14.4075 -14.7729 TIMING: 335400 CPU: 1055.85, 0.00313902/step Wall: 1055.85, 0.00313902/step, 4.06729 hours remaining, 230.878906 MB of memory in use. ENERGY: 335400 3984.3637 20434.0082 14433.0089 242.6260 -203414.9738 2504.9023 0.0000 0.0000 51949.8948 -109866.1699 298.5568 -161816.0647 -109501.6666 299.0201 -59.5553 -28.9647 758999.7737 -7.6476 -7.7421 PRESSURE: 335600 96.5811 249.12 -19.2341 249.12 212.529 31.8169 -19.2347 31.8176 -29.0638 GPRESSURE: 335600 187.515 195.986 -34.3897 239.294 220.787 -0.250723 45.7801 104.679 -50.153 PRESSAVG: 335600 58.328 -61.0344 -45.8806 -61.0345 -79.257 -2.60773 -45.8806 -2.60771 -6.39527 GPRESSAVG: 335600 59.6468 -61.7002 -44.8748 -60.8652 -79.5465 -2.9859 -47.6785 -0.86409 -7.49532 TIMING: 335600 CPU: 1056.48, 0.00313804/step Wall: 1056.48, 0.00313804/step, 4.06586 hours remaining, 230.878906 MB of memory in use. ENERGY: 335600 3947.8707 20637.4658 14469.7886 240.5012 -203605.2128 2590.5914 0.0000 0.0000 51694.8883 -110024.1068 297.0912 -161718.9952 -109666.1230 298.9509 93.3487 119.3829 760465.2971 -9.1081 -9.1316 PRESSURE: 335800 -283.73 29.9915 -22.1654 29.9906 -127.114 95.1491 -22.1653 95.1495 -173.253 GPRESSURE: 335800 -281.771 12.0551 31.7104 -72.4892 7.48356 123.57 -59.6892 175.314 -207.078 PRESSAVG: 335800 36.8429 -38.487 -6.064 -38.487 -44.2548 84.9001 -6.06397 84.9001 -5.8328 GPRESSAVG: 335800 37.0898 -38.2236 -6.07438 -37.3445 -43.9769 84.1194 -5.27209 84.7098 -6.46612 TIMING: 335800 CPU: 1057.11, 0.00318219/step Wall: 1057.11, 0.00318219/step, 4.12288 hours remaining, 230.878906 MB of memory in use. ENERGY: 335800 3986.2668 20426.9836 14449.8518 239.5865 -203347.9172 2334.2551 0.0000 0.0000 52060.4478 -109850.5257 299.1921 -161910.9734 -109478.8737 299.2107 -194.6990 -160.4552 759793.9092 -4.4149 -4.4511 PRESSURE: 336000 -174.442 196.548 -206.254 196.547 -219.176 203.264 -206.255 203.264 -129.923 GPRESSURE: 336000 -81.115 126.721 -161.282 132.906 -247.265 171.834 -196.602 185.328 -90.7699 PRESSAVG: 336000 50.8488 -51.8904 -15.6843 -51.8904 -34.8715 40.7793 -15.6843 40.7793 -6.17703 GPRESSAVG: 336000 50.1917 -54.2415 -17.9681 -53.1567 -35.4341 40.8603 -13.3832 38.8771 -4.55773 TIMING: 336000 CPU: 1057.75, 0.00320204/step Wall: 1057.75, 0.00320204/step, 4.14842 hours remaining, 230.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 336000 4050.6646 20423.5489 14434.4652 247.4167 -203509.4027 2300.8297 0.0000 0.0000 52064.9198 -109987.5579 299.2178 -162052.4776 -109625.8952 298.6176 -174.5136 -139.7165 759193.1679 3.2668 3.4000 PRESSURE: 336200 -119.283 -156.626 30.4074 -156.625 185.926 19.9317 30.4071 19.9324 305.399 GPRESSURE: 336200 -63.5242 -137.284 135.46 -197.976 236.034 18.4809 -97.1572 56.6497 277.02 PRESSAVG: 336200 22.1714 -17.298 6.32434 -17.298 21.0608 35.2942 6.32427 35.2942 -1.51902 GPRESSAVG: 336200 23.8892 -15.4893 7.46341 -16.4686 21.3563 36.7151 5.60546 34.1183 -3.41599 TIMING: 336200 CPU: 1058.39, 0.003158/step Wall: 1058.39, 0.003158/step, 4.09119 hours remaining, 230.878906 MB of memory in use. ENERGY: 336200 3931.3586 20678.8786 14423.8630 237.1378 -203689.4338 2503.0467 0.0000 0.0000 51929.4744 -109985.6746 298.4394 -161915.1490 -109626.0274 298.4713 124.0142 149.8434 759260.9168 13.9044 13.9432 LDB: ============= START OF LOAD BALANCING ============== 1070.79 LDB: ============== END OF LOAD BALANCING =============== 1070.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1070.79 LDB: ============= START OF LOAD BALANCING ============== 1071.11 LDB: Largest compute 7073 load 0.032283 is 16.5% of average load 0.195701 LDB: Average compute 0.004366 is 2.2% of average load 0.195701 LDB: TIME 1071.11 LOAD: AVG 0.195701 MAX 0.216757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.934 MB LDB: TIME 1071.11 LOAD: AVG 0.195701 MAX 0.216757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.973 MB LDB: TIME 1071.11 LOAD: AVG 0.195701 MAX 0.216757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.973 MB LDB: ============== END OF LOAD BALANCING =============== 1071.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1071.12 PRESSURE: 336400 197.55 102.007 244.836 102.008 -460.005 95.5852 244.836 95.5862 134.49 GPRESSURE: 336400 223.123 70.7656 292.445 100.549 -428.378 99.9703 197.016 217.14 163.794 PRESSAVG: 336400 6.06687 -34.8198 33.6845 -34.8198 6.73035 24.6209 33.6845 24.621 -10.5042 GPRESSAVG: 336400 4.28279 -34.0904 33.9575 -36.7177 7.51361 23.0465 32.722 26.1051 -9.36156 TIMING: 336400 CPU: 1059.03, 0.00323296/step Wall: 1059.03, 0.00323296/step, 4.18812 hours remaining, 231.324219 MB of memory in use. ENERGY: 336400 3973.6300 20506.5473 14408.1115 259.0276 -203641.5094 2432.4458 0.0000 0.0000 51795.1510 -110266.5962 297.6674 -162061.7471 -109912.7207 298.4441 -42.6548 -13.8204 759359.2065 0.7643 0.8116 PRESSURE: 336600 -33.3777 248.669 -44.0996 248.669 -312.376 158.2 -44.0992 158.199 76.0892 GPRESSURE: 336600 27.2473 159.759 -53.161 241.595 -297.76 208.028 -104.522 163.879 95.2853 PRESSAVG: 336600 -1.77518 -26.59 -0.427614 -26.59 -61.1457 28.0914 -0.427649 28.0914 33.2372 GPRESSAVG: 336600 -0.692729 -29.1547 -1.61 -23.7399 -62.1078 29.8466 -0.24346 28.2792 33.3373 TIMING: 336600 CPU: 1059.67, 0.00316032/step Wall: 1059.67, 0.00316032/step, 4.09384 hours remaining, 231.527344 MB of memory in use. ENERGY: 336600 3930.4471 20533.2298 14435.7691 244.8327 -204123.9193 2739.3640 0.0000 0.0000 51954.6797 -110285.5969 298.5843 -162240.2766 -109923.2330 298.4178 -89.8882 -58.4090 760664.8605 -9.8946 -9.8211 PRESSURE: 336800 57.9164 112.18 -92.4222 112.18 -270.558 -78.9194 -92.4218 -78.92 267.814 GPRESSURE: 336800 88.8565 -48.9214 -43.5013 94.7482 -263.719 -108.287 -58.3202 -65.5299 303.505 PRESSAVG: 336800 -2.04589 -9.39337 16.7234 -9.39335 -26.2842 13.3414 16.7234 13.3414 3.04805 GPRESSAVG: 336800 -1.56913 -9.07084 18.2026 -11.822 -25.7388 10.523 16.4018 13.8463 2.40051 TIMING: 336800 CPU: 1060.29, 0.00314905/step Wall: 1060.29, 0.00314905/step, 4.07907 hours remaining, 231.593750 MB of memory in use. ENERGY: 336800 3960.4135 20537.5566 14396.5034 239.7327 -203831.2214 2588.7302 0.0000 0.0000 51932.0220 -110176.2630 298.4540 -162108.2850 -109817.8932 298.1460 18.3908 42.8810 758753.2278 -8.4273 -8.3025 PRESSURE: 337000 23.8256 -45.014 -202.528 -45.013 183.268 67.7966 -202.53 67.7977 31.362 GPRESSURE: 337000 53.9173 20.7733 -214.389 -29.6374 181.853 139.968 -86.2509 132.358 77.7161 PRESSAVG: 337000 29.9095 -26.7801 63.9077 -26.7801 1.97864 14.3578 63.9078 14.3579 8.75937 GPRESSAVG: 337000 29.6023 -24.0179 65.1424 -24.709 1.27217 15.1969 65.8591 13.665 9.72029 TIMING: 337000 CPU: 1060.93, 0.0031739/step Wall: 1060.93, 0.0031739/step, 4.11108 hours remaining, 231.593750 MB of memory in use. ENERGY: 337000 4043.6452 20325.4951 14522.6959 231.6706 -204149.8618 2900.7540 0.0000 0.0000 52090.5386 -110035.0624 299.3650 -162125.6010 -109670.5380 298.2993 79.4851 104.4953 760267.8057 13.5492 13.5316 PRESSURE: 337200 168.777 -166.832 200.951 -166.832 -358.551 53.3293 200.952 53.329 -338.666 GPRESSURE: 337200 215.778 -283.585 210.803 -179.309 -264.815 45.0203 190.67 11.2948 -395.306 PRESSAVG: 337200 13.1667 -36.3269 24.259 -36.3268 38.1884 11.0467 24.259 11.0467 0.500648 GPRESSAVG: 337200 12.3376 -37.68 22.093 -38.6732 39.5289 11.7784 23.5671 11.7765 0.19382 TIMING: 337200 CPU: 1061.56, 0.00314857/step Wall: 1061.56, 0.00314857/step, 4.0781 hours remaining, 231.582031 MB of memory in use. ENERGY: 337200 4073.4790 20487.6169 14439.9897 247.0264 -203744.5839 2493.1924 0.0000 0.0000 52074.2681 -109929.0114 299.2715 -162003.2795 -109567.0920 298.6119 -176.1466 -148.1143 760035.6138 17.2852 17.3535 PRESSURE: 337400 9.95698 62.1918 17.7466 62.1923 46.6006 -9.67114 17.7463 -9.67251 540.978 GPRESSURE: 337400 102.618 73.4911 15.669 29.4102 53.7363 -70.2284 42.7396 -22.3717 525.179 PRESSAVG: 337400 -5.668 -74.6522 9.68254 -74.6522 -11.1763 5.31629 9.68254 5.31625 -12.191 GPRESSAVG: 337400 -3.8432 -73.5361 8.79522 -73.4181 -10.9742 4.63871 10.7046 4.1055 -13.8892 TIMING: 337400 CPU: 1062.2, 0.00318464/step Wall: 1062.2, 0.00318464/step, 4.12464 hours remaining, 231.593750 MB of memory in use. ENERGY: 337400 3935.6784 20491.3202 14393.1671 235.9748 -203351.8330 2504.2185 0.0000 0.0000 51975.2609 -109816.2130 298.7025 -161791.4740 -109452.3336 298.9076 199.1787 227.1776 759842.6078 -9.6784 -9.5689 PRESSURE: 337600 132.611 -72.7038 239.403 -72.7037 205.946 11.8547 239.404 11.8555 255.096 GPRESSURE: 337600 145.215 -127.829 166.51 -70.381 333.177 46.6125 252.373 45.6576 209.043 PRESSAVG: 337600 -4.64585 -75.3779 -10.0685 -75.378 -20.5634 46.0395 -10.0685 46.0395 29.8957 GPRESSAVG: 337600 -5.07251 -76.4622 -9.51637 -73.2543 -21.3494 46.5902 -11.0488 49.6705 30.817 TIMING: 337600 CPU: 1062.83, 0.00318765/step Wall: 1062.83, 0.00318765/step, 4.12836 hours remaining, 231.593750 MB of memory in use. ENERGY: 337600 3986.9558 20538.1172 14431.7667 253.5516 -203937.6635 2704.4083 0.0000 0.0000 52284.2536 -109738.6103 300.4783 -162022.8639 -109377.7378 299.0885 197.8842 229.1450 759547.2689 1.5621 1.4650 PRESSURE: 337800 101.753 -156.577 184.1 -156.577 -93.6315 -98.3745 184.099 -98.3746 310.103 GPRESSURE: 337800 131.491 -234.852 128.001 -144.72 0.447145 -117.8 216.317 -34.031 281.519 PRESSAVG: 337800 50.3446 -29.0374 28.5429 -29.0375 -33.4599 3.18015 28.5428 3.18015 -16.6521 GPRESSAVG: 337800 49.9684 -27.0953 27.5994 -31.1955 -33.0862 3.65954 30.5831 1.99352 -17.0087 TIMING: 337800 CPU: 1063.47, 0.00317809/step Wall: 1063.47, 0.00317809/step, 4.1158 hours remaining, 231.593750 MB of memory in use. ENERGY: 337800 3985.0039 20593.7499 14438.6504 249.1828 -203387.8432 2183.0042 0.0000 0.0000 51997.1409 -109941.1111 298.8283 -161938.2520 -109583.6491 299.3640 106.0748 137.8188 758253.6318 0.0776 -0.0422 PRESSURE: 338000 -104.662 -45.8819 91.6216 -45.8816 -216.585 152.097 91.6225 152.099 -290.09 GPRESSURE: 338000 -168.164 -88.2602 118.614 -65.0708 -161.321 89.2102 -44.7021 91.0249 -197.455 PRESSAVG: 338000 28.3463 16.4826 74.5367 16.4827 1.87547 -21.5112 74.5368 -21.5112 4.05896 GPRESSAVG: 338000 28.2848 14.3646 74.7691 17.4608 2.57197 -23.2863 73.2825 -21.7416 3.58794 TIMING: 338000 CPU: 1064.11, 0.00318341/step Wall: 1064.11, 0.00318341/step, 4.12251 hours remaining, 231.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 338000 4075.7532 20496.1381 14436.4433 240.1969 -203411.5079 2285.9164 0.0000 0.0000 51929.6669 -109947.3932 298.4405 -161877.0601 -109577.7715 299.1544 -203.7793 -175.6467 759745.3638 11.4269 11.4816 PRESSURE: 338200 -430.721 -118.523 -17.1085 -118.523 24.1602 78.4733 -17.1093 78.4739 -33.0086 GPRESSURE: 338200 -321.291 -122.3 49.0448 -182.486 -26.2977 114.586 -63.2488 78.0656 -5.20154 PRESSAVG: 338200 -1.84866 -1.94635 29.1784 -1.94631 -1.25585 27.7662 29.1785 27.7663 26.6487 GPRESSAVG: 338200 -1.97422 -1.57348 30.8231 -2.50224 -2.45581 29.3812 29.0243 26.8849 28.4182 TIMING: 338200 CPU: 1064.74, 0.00315369/step Wall: 1064.74, 0.00315369/step, 4.08385 hours remaining, 231.593750 MB of memory in use. ENERGY: 338200 4030.2403 20516.0874 14500.8076 250.0229 -203475.0485 2606.3891 0.0000 0.0000 51660.2094 -109911.2918 296.8919 -161571.5011 -109553.8153 298.9071 -146.5232 -117.5966 760322.0710 7.8481 7.9960 PRESSURE: 338400 -401.157 -3.85311 26.4466 -3.85303 -177.341 -30.7175 26.4472 -30.7183 -236.716 GPRESSURE: 338400 -310.713 -79.9335 9.7819 129.253 -186.444 32.8099 -146.304 7.93519 -224.306 PRESSAVG: 338400 -39.2825 -6.48297 27.111 -6.48296 63.3011 -43.4804 27.111 -43.4805 11.2929 GPRESSAVG: 338400 -38.6476 -6.92611 25.9617 -5.30515 63.0492 -44.1932 26.6718 -43.8369 10.7012 TIMING: 338400 CPU: 1065.37, 0.00318585/step Wall: 1065.37, 0.00318585/step, 4.12532 hours remaining, 231.593750 MB of memory in use. ENERGY: 338400 4090.6773 20399.1731 14471.3797 241.7892 -203536.6473 2250.0934 0.0000 0.0000 52222.1033 -109861.4314 300.1211 -162083.5347 -109492.4648 299.2310 -271.7382 -240.4877 758851.8749 11.7705 11.7009 PRESSURE: 338600 -44.8223 -58.3811 -383.082 -58.3812 -179.204 18.6856 -383.082 18.6856 -473.304 GPRESSURE: 338600 3.2148 -109.644 -330.933 -34.8923 -199.29 53.9084 -435.521 -70.1739 -421.356 PRESSAVG: 338600 -36.3075 -26.5383 6.55271 -26.5383 51.6855 11.8133 6.55269 11.8133 6.68903 GPRESSAVG: 338600 -35.7712 -27.2011 6.64347 -26.5338 51.6871 11.1942 6.78385 10.4473 6.63878 TIMING: 338600 CPU: 1066.01, 0.00320189/step Wall: 1066.01, 0.00320189/step, 4.14591 hours remaining, 231.593750 MB of memory in use. ENERGY: 338600 4120.2973 20494.1194 14480.5559 257.6459 -203639.2055 2321.5100 0.0000 0.0000 52180.1817 -109784.8954 299.8802 -161965.0770 -109422.5953 299.1320 -232.4432 -205.8105 758707.5420 7.3557 7.5182 PRESSURE: 338800 7.53308 -55.8706 -20.0365 -55.8699 64.2406 23.7601 -20.0367 23.7586 -122.85 GPRESSURE: 338800 17.0348 -44.6326 113.421 7.00853 149.29 62.9001 16.6424 48.8159 -132.956 PRESSAVG: 338800 -73.5186 -44.819 -8.96868 -44.819 44.6799 9.08958 -8.96862 9.08954 -1.65365 GPRESSAVG: 338800 -74.5043 -44.5261 -8.90359 -45.9976 45.2787 10.1848 -8.33842 7.6709 -1.79535 TIMING: 338800 CPU: 1066.65, 0.00315492/step Wall: 1066.65, 0.00315492/step, 4.08492 hours remaining, 231.593750 MB of memory in use. ENERGY: 338800 4001.2668 20533.8787 14485.9365 236.3537 -203593.7543 2692.1691 0.0000 0.0000 51759.3419 -109884.8076 297.4616 -161644.1495 -109535.8534 299.1466 -17.0256 11.1231 758254.1011 -10.1641 -10.3403 PRESSURE: 339000 215.144 -282.724 310.847 -282.724 229.205 -30.648 310.847 -30.6493 289.849 GPRESSURE: 339000 254.753 -219.683 223.166 -301.205 277.987 -103.995 341.057 -97.7262 293.857 PRESSAVG: 339000 18.3335 -11.6652 -10.2578 -11.6652 4.72179 31.3304 -10.2578 31.3305 -1.07328 GPRESSAVG: 339000 19.1626 -9.43906 -11.1159 -9.3513 3.92855 32.0834 -9.3864 34.9284 -0.833296 TIMING: 339000 CPU: 1067.28, 0.00315505/step Wall: 1067.28, 0.00315505/step, 4.08491 hours remaining, 231.593750 MB of memory in use. ENERGY: 339000 3957.7488 20444.7051 14386.2302 227.3538 -203698.9167 2638.0979 0.0000 0.0000 52067.6015 -109977.1793 299.2332 -162044.7808 -109612.1300 298.7076 244.7325 275.5324 758532.5570 7.3273 7.4193 PRESSURE: 339200 -149.987 41.6264 131.226 41.6262 307.032 110.016 131.226 110.015 45.4618 GPRESSURE: 339200 -149.882 110.303 90.2431 2.75152 367.08 94.9944 208.605 53.9065 77.0142 PRESSAVG: 339200 -33.509 -56.3967 44.2729 -56.3967 39.5271 15.7647 44.2729 15.7649 8.75242 GPRESSAVG: 339200 -34.5158 -57.5728 43.9385 -56.3588 40.4109 16.3402 44.4823 14.126 9.4553 TIMING: 339200 CPU: 1067.91, 0.00316467/step Wall: 1067.91, 0.00316467/step, 4.0972 hours remaining, 231.593750 MB of memory in use. ENERGY: 339200 3975.6047 20510.7658 14471.4504 250.0612 -203446.4615 2459.4280 0.0000 0.0000 51698.6126 -110080.5388 297.1126 -161779.1515 -109723.3048 298.5812 67.5024 98.0706 760219.7212 4.9235 5.1168 PRESSURE: 339400 -64.4848 -72.8025 -107 -72.8024 -103.702 139.827 -107.001 139.826 336.044 GPRESSURE: 339400 61.7421 -156.691 -163.911 11.0032 -111.802 170.15 37.3764 70.9307 293.295 PRESSAVG: 339400 -11.8269 -7.09867 10.8222 -7.09856 8.74619 -72.0877 10.8221 -72.0876 2.49945 GPRESSAVG: 339400 -11.4753 -7.13639 12.921 -9.04501 8.74392 -74.4217 8.43176 -70.2234 2.56701 TIMING: 339400 CPU: 1068.55, 0.00317819/step Wall: 1068.55, 0.0031782/step, 4.11453 hours remaining, 231.593750 MB of memory in use. ENERGY: 339400 3968.2555 20472.7387 14423.4165 251.4837 -203325.4675 2378.3438 0.0000 0.0000 51682.0234 -110149.2059 297.0173 -161831.2293 -109797.6631 297.8049 55.9525 81.0785 760648.4915 -0.1937 -0.0548 PRESSURE: 339600 461.974 133.821 -157.95 133.821 -206.476 159.872 -157.95 159.872 -304.799 GPRESSURE: 339600 505.353 39.1431 -93.1384 135.24 -173.058 232.62 -185.49 -6.8656 -279.272 PRESSAVG: 339600 -34.8397 -28.3507 7.40287 -28.3507 -13.75 -7.90792 7.40282 -7.90788 21.3338 GPRESSAVG: 339600 -34.6951 -30.0251 6.93724 -27.3354 -13.7569 -6.03879 7.2713 -10.1672 21.2913 TIMING: 339600 CPU: 1069.18, 0.00316553/step Wall: 1069.18, 0.00316553/step, 4.09796 hours remaining, 231.593750 MB of memory in use. ENERGY: 339600 3902.7238 20465.8126 14435.6818 246.0591 -203100.7291 2385.8976 0.0000 0.0000 51778.6670 -109885.8872 297.5727 -161664.5542 -109534.2361 298.5158 -16.4337 17.6741 762928.3131 -9.0853 -9.0535 PRESSURE: 339800 -442.405 -185.452 90.5421 -185.451 44.436 -51.1097 90.5432 -51.1095 -6.42038 GPRESSURE: 339800 -304.603 -111.432 110.076 -146.697 25.9227 6.85889 92.0375 -28.1577 -31.4052 PRESSAVG: 339800 3.28626 -45.1195 -29.2294 -45.1194 -4.88328 -39.2443 -29.2293 -39.2442 -15.3809 GPRESSAVG: 339800 3.7874 -43.904 -30.9524 -45.1561 -4.05671 -39.9933 -27.1222 -38.1321 -16.9723 TIMING: 339800 CPU: 1069.81, 0.00318219/step Wall: 1069.81, 0.00318219/step, 4.11935 hours remaining, 231.593750 MB of memory in use. ENERGY: 339800 3998.0610 20481.0547 14405.0097 246.9097 -202979.1362 2283.7727 0.0000 0.0000 52152.3533 -109411.9751 299.7203 -161564.3284 -109029.7429 298.9310 -134.7964 -103.3618 762073.8569 -5.6593 -5.7472 PRESSURE: 340000 -88.2361 -89.9242 21.8739 -89.9237 51.6175 85.3242 21.8738 85.3242 112.177 GPRESSURE: 340000 -70.792 -93.3011 -11.4027 -152.081 67.3862 93.1232 56.0109 73.2645 140.552 PRESSAVG: 340000 -57.0378 -42.8089 36.5653 -42.8089 75.1408 47.1901 36.5653 47.19 -25.7629 GPRESSAVG: 340000 -57.5763 -44.0937 37.8877 -43.7998 73.9563 48.6389 34.6455 46.0724 -24.7365 TIMING: 340000 CPU: 1070.45, 0.00317308/step Wall: 1070.45, 0.00317309/step, 4.10738 hours remaining, 231.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 340000 4018.3035 20360.2332 14512.9879 240.4003 -203143.9121 2381.0605 0.0000 0.0000 52061.6976 -109569.2292 299.1993 -161630.9268 -109201.7871 299.2552 25.1863 45.7153 761657.3878 -2.5533 -2.7855 PRESSURE: 340200 -303.929 -123.805 -144.403 -123.805 348.131 117.961 -144.403 117.962 177.737 GPRESSURE: 340200 -170.078 15.3745 -230.053 -184.989 322.972 60.3418 -154.719 132.882 157.594 PRESSAVG: 340200 -62.7797 -101.525 17.5359 -101.525 48.5684 15.1596 17.5359 15.1595 8.98869 GPRESSAVG: 340200 -62.7539 -101.477 17.5004 -102.449 48.4002 13.8366 17.8766 15.7242 9.24458 TIMING: 340200 CPU: 1071.08, 0.00315012/step Wall: 1071.08, 0.00315012/step, 4.07747 hours remaining, 231.593750 MB of memory in use. ENERGY: 340200 3971.9154 20354.7244 14442.8820 253.2827 -203443.0962 2760.1118 0.0000 0.0000 52023.6146 -109636.5652 298.9804 -161660.1798 -109269.5457 298.8217 73.9797 103.4960 762785.0433 -1.7409 -1.7030 LDB: ============= START OF LOAD BALANCING ============== 1083.48 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1083.48 LDB: =============== DONE WITH MIGRATION ================ 1083.48 LDB: ============= START OF LOAD BALANCING ============== 1083.8 LDB: Largest compute 7058 load 0.031512 is 16.1% of average load 0.195607 LDB: Average compute 0.004368 is 2.2% of average load 0.195607 LDB: TIME 1083.8 LOAD: AVG 0.195607 MAX 0.216997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.484 MB LDB: TIME 1083.8 LOAD: AVG 0.195607 MAX 0.216997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 1083.8 LOAD: AVG 0.195607 MAX 0.216997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 1083.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1083.81 PRESSURE: 340400 91.8833 -129.94 210.803 -129.94 64.1121 102.717 210.801 102.716 -161.988 GPRESSURE: 340400 170.762 -131.563 238.307 -140.295 75.5093 80.4739 168.745 107.875 -148.586 PRESSAVG: 340400 -18.7222 -70.8675 -5.71875 -70.8674 -5.37952 34.1435 -5.71873 34.1434 -6.415 GPRESSAVG: 340400 -18.9999 -70.9714 -5.79053 -70.5096 -4.9671 33.6299 -4.06653 35.0488 -5.96424 TIMING: 340400 CPU: 1071.73, 0.00323184/step Wall: 1071.73, 0.00323184/step, 4.18308 hours remaining, 232.593750 MB of memory in use. ENERGY: 340400 4009.0492 20452.8142 14386.3131 236.3975 -203279.6516 2726.6564 0.0000 0.0000 52130.4837 -109337.9376 299.5946 -161468.4213 -108984.7823 299.4864 -1.9976 32.5618 760771.4718 -10.1722 -9.9771 PRESSURE: 340600 -75.508 178.235 81.7204 178.235 392.378 85.941 81.7207 85.9424 598.893 GPRESSURE: 340600 -21.3485 175.088 67.7871 32.9361 461.532 61.9307 43.0579 17.898 576.82 PRESSAVG: 340600 -19.135 16.5765 11.6468 16.5766 63.6726 29.9752 11.6468 29.9752 -1.70525 GPRESSAVG: 340600 -19.5208 18.2558 11.95 16.0052 62.8782 29.1433 9.99218 30.4682 -0.776501 TIMING: 340600 CPU: 1072.36, 0.00319209/step Wall: 1072.36, 0.00319209/step, 4.13145 hours remaining, 232.832031 MB of memory in use. ENERGY: 340600 3871.0172 20659.6604 14434.3947 245.8650 -203214.7254 2577.4763 0.0000 0.0000 52054.3301 -109371.9817 299.1570 -161426.3118 -109012.9958 300.2232 305.2543 339.0010 760598.3679 14.2774 14.1936 PRESSURE: 340800 -15.9846 97.6076 -112.996 97.6068 -0.189813 33.4061 -112.995 33.4046 -31.2513 GPRESSURE: 340800 55.9048 168.774 -46.3999 226.428 47.2048 -34.994 -90.9609 -21.4299 -55.1899 PRESSAVG: 340800 -68.7907 54.3944 -10.5018 54.3944 51.5397 34.5428 -10.5018 34.5428 -4.03272 GPRESSAVG: 340800 -67.7589 53.04 -11.6003 56.2761 52.6971 35.4803 -11.5638 34.0491 -6.04864 TIMING: 340800 CPU: 1073, 0.00316259/step Wall: 1073, 0.00316259/step, 4.09309 hours remaining, 233.035156 MB of memory in use. ENERGY: 340800 4027.9420 20485.1029 14434.3204 253.7878 -203122.7434 2368.8903 0.0000 0.0000 52096.5291 -109456.1710 299.3995 -161552.7001 -109093.3482 299.7356 -15.8086 15.9732 760126.1951 -7.0946 -7.0368 PRESSURE: 341000 293.617 167.94 214.027 167.94 5.67358 153.574 214.027 153.573 256.31 GPRESSURE: 341000 337.735 60.4095 154.023 206.65 77.2387 207.834 116.728 87.3359 232.335 PRESSAVG: 341000 -2.14502 -7.10317 -37.1766 -7.10314 -11.5827 29.8083 -37.1765 29.8084 -8.24901 GPRESSAVG: 341000 -3.4261 -7.32949 -36.1561 -7.51334 -11.603 29.9692 -37.1109 28.5888 -7.32077 TIMING: 341000 CPU: 1073.63, 0.00315262/step Wall: 1073.63, 0.00315262/step, 4.08002 hours remaining, 233.035156 MB of memory in use. ENERGY: 341000 3943.5457 20239.3254 14424.7929 252.9977 -203213.8054 2494.1688 0.0000 0.0000 52270.9825 -109587.9925 300.4021 -161858.9750 -109223.3663 299.3138 185.2003 215.7695 759976.0585 -7.3256 -7.4499 PRESSURE: 341200 -64.8539 132.902 28.543 132.903 413.62 -82.2297 28.5431 -82.2285 88.3678 GPRESSURE: 341200 -38.923 57.5479 138.523 29.4649 336.7 -173.838 -24.2304 -56.0055 215.741 PRESSAVG: 341200 -49.1106 -6.49634 -51.3759 -6.49638 14.273 17.9352 -51.3759 17.9353 14.9164 GPRESSAVG: 341200 -48.3638 -5.20214 -51.5842 -4.99524 12.5872 17.4649 -50.0501 16.1711 15.3123 TIMING: 341200 CPU: 1074.25, 0.0031254/step Wall: 1074.25, 0.0031254/step, 4.04461 hours remaining, 233.035156 MB of memory in use. ENERGY: 341200 3958.0215 20496.4486 14367.1363 246.5227 -203392.3761 2577.8814 0.0000 0.0000 52175.3740 -109570.9916 299.8526 -161746.3656 -109212.8629 299.3022 145.7111 171.1727 761739.0373 -6.6404 -6.8214 PRESSURE: 341400 65.7903 -63.239 123.683 -63.2393 -11.1727 -165.441 123.683 -165.441 -256.921 GPRESSURE: 341400 50.5923 -132.806 146.498 -94.8082 42.3819 -126.343 192.565 -162.031 -209.172 PRESSAVG: 341400 -23.1256 3.92008 20.6527 3.92006 30.7086 -51.7533 20.6526 -51.7532 -40.3269 GPRESSAVG: 341400 -24.6182 2.99584 20.7702 2.4717 32.6256 -52.0472 18.8958 -49.86 -41.0035 TIMING: 341400 CPU: 1074.88, 0.00313961/step Wall: 1074.88, 0.00313961/step, 4.06283 hours remaining, 233.035156 MB of memory in use. ENERGY: 341400 3956.4614 20433.6092 14429.0005 235.4670 -203192.8751 2306.7946 0.0000 0.0000 51983.8539 -109847.6884 298.7519 -161831.5424 -109484.4374 298.9585 -67.4345 -38.7328 760747.4886 -10.9146 -10.9987 PRESSURE: 341600 -664.855 -52.6031 208.74 -52.6039 -63.7328 -97.3583 208.739 -97.3572 -395.006 GPRESSURE: 341600 -644.53 -107.879 158.311 -67.47 -68.4297 -68.2735 159.557 5.95041 -303.367 PRESSAVG: 341600 -27.9006 -49.2803 -13.0627 -49.2802 7.66995 -34.231 -13.0626 -34.231 -6.71725 GPRESSAVG: 341600 -27.9335 -48.0623 -12.7657 -48.214 6.86762 -32.8618 -11.8838 -32.1962 -5.73372 TIMING: 341600 CPU: 1075.51, 0.00317304/step Wall: 1075.51, 0.00317304/step, 4.10591 hours remaining, 233.035156 MB of memory in use. ENERGY: 341600 4024.5239 20487.3568 14393.3570 248.5615 -203150.6819 2206.3114 0.0000 0.0000 52039.7928 -109750.7784 299.0734 -161790.5713 -109397.1510 298.6477 -374.5312 -338.7756 760884.5012 -8.9826 -8.9332 PRESSURE: 341800 241.183 71.2751 -27.7973 71.2753 -118.053 57.8334 -27.7975 57.8324 168.688 GPRESSURE: 341800 204.036 45.9075 -39.8296 -53.6119 -56.5268 24.4158 -39.8437 -81.849 224.441 PRESSAVG: 341800 -33.9419 10.8689 -34.4563 10.8689 28.0495 -4.91546 -34.4563 -4.91542 9.18711 GPRESSAVG: 341800 -34 10.2367 -35.8378 12.7495 27.9317 -6.49548 -33.3184 -7.63444 9.04376 TIMING: 341800 CPU: 1076.14, 0.00315053/step Wall: 1076.14, 0.00315053/step, 4.07661 hours remaining, 233.035156 MB of memory in use. ENERGY: 341800 4013.6904 20411.4680 14459.4203 267.0114 -203194.2357 2476.9422 0.0000 0.0000 51988.0054 -109577.6980 298.7758 -161565.7034 -109219.2878 299.0021 97.2725 123.9834 761644.3704 1.0982 0.9918 PRESSURE: 342000 -177.952 -2.19603 -202.17 -2.19615 -259.569 -13.4249 -202.169 -13.4257 133.979 GPRESSURE: 342000 -119.228 77.4454 -156.635 40.3603 -191.584 18.0533 -96.9121 18.5856 86.6812 PRESSAVG: 342000 69.269 -7.93782 -9.28749 -7.93791 -55.0522 34.4103 -9.28746 34.4102 4.52335 GPRESSAVG: 342000 71.7034 -5.9661 -8.48626 -10.2308 -55.626 35.2991 -9.30661 33.7018 2.99472 TIMING: 342000 CPU: 1076.78, 0.00315829/step Wall: 1076.78, 0.00315829/step, 4.08647 hours remaining, 233.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 342000 4104.9219 20515.5738 14341.3378 266.6351 -203003.9527 2232.7028 0.0000 0.0000 51753.9086 -109788.8727 297.4304 -161542.7813 -109438.7962 299.0193 -101.1807 -74.7105 760314.6639 6.2467 6.3574 PRESSURE: 342200 -366.517 165.737 6.25564 165.738 14.7185 220.53 6.25516 220.529 -71.7049 GPRESSURE: 342200 -348.248 143.124 33.0231 197.427 87.1061 212.379 -11.9519 186.29 -66.372 PRESSAVG: 342200 39.8323 20.0806 -32.5219 20.0806 -43.356 -10.4517 -32.5219 -10.4517 27.8687 GPRESSAVG: 342200 38.1808 18.6905 -31.9347 21.4351 -41.9058 -10.62 -32.8706 -9.94057 28.729 TIMING: 342200 CPU: 1077.4, 0.00313722/step Wall: 1077.4, 0.00313722/step, 4.05904 hours remaining, 233.238281 MB of memory in use. ENERGY: 342200 3974.2912 20411.5946 14373.3287 247.8927 -203292.3869 2298.6252 0.0000 0.0000 52034.5150 -109952.1394 299.0431 -161986.6544 -109587.9573 298.7752 -141.1677 -109.1712 760691.5568 8.1150 8.3347 PRESSURE: 342400 -23.4324 -84.7786 51.7441 -84.7791 -129.334 -71.7107 51.7443 -71.7111 296.51 GPRESSURE: 342400 -3.31565 -188.3 -45.6836 -12.45 -46.2804 -152.678 69.0396 50.2096 275.692 PRESSAVG: 342400 -0.311325 -9.65774 32.0202 -9.65774 -45.4189 10.8546 32.0202 10.8546 -7.94152 GPRESSAVG: 342400 -0.114753 -8.41885 32.1453 -10.5442 -45.5471 10.4657 32.6665 12.0571 -8.05441 TIMING: 342400 CPU: 1078.03, 0.00314432/step Wall: 1078.03, 0.00314432/step, 4.06805 hours remaining, 233.238281 MB of memory in use. ENERGY: 342400 4046.6346 20396.8751 14474.0900 243.7117 -203654.5570 2548.1811 0.0000 0.0000 51853.8959 -110091.1686 298.0051 -161945.0645 -109740.1885 298.5915 47.9144 75.3654 759111.0329 -17.8906 -17.9054 PRESSURE: 342600 -34.7276 -53.406 10.6717 -53.4054 105.03 -267.797 10.6721 -267.797 129.593 GPRESSURE: 342600 61.3113 -57.9196 32.3932 24.7097 119.355 -213.018 -1.7873 -183.218 83.4081 PRESSAVG: 342600 34.5391 -8.17237 6.52526 -8.17235 -42.1848 -46.5188 6.52524 -46.5188 -13.2273 GPRESSAVG: 342600 34.1435 -9.2266 5.9074 -6.08382 -41.6863 -46.641 5.54539 -45.2254 -13.7808 TIMING: 342600 CPU: 1078.66, 0.00314463/step Wall: 1078.66, 0.00314463/step, 4.06828 hours remaining, 233.238281 MB of memory in use. ENERGY: 342600 4000.4085 20542.0501 14518.0826 231.3398 -203839.0784 2755.6259 0.0000 0.0000 51837.2405 -109954.3310 297.9093 -161791.5715 -109593.6976 298.5946 66.6315 88.0250 760540.4196 -6.9577 -7.1079 PRESSURE: 342800 -186.476 -77.6025 -179.128 -77.6025 40.5954 -58.3575 -179.128 -58.3572 -440.885 GPRESSURE: 342800 -148.166 -226.395 -292.758 14.2684 102.274 -105.226 -184.752 -73.0778 -463.156 PRESSAVG: 342800 -24.1222 13.679 -30.5525 13.679 -31.9526 35.2451 -30.5525 35.2451 -3.23895 GPRESSAVG: 342800 -23.6334 11.9804 -29.8963 13.0193 -32.4995 34.8889 -30.7313 33.9159 -3.35603 TIMING: 342800 CPU: 1079.29, 0.003137/step Wall: 1079.29, 0.003137/step, 4.05824 hours remaining, 233.238281 MB of memory in use. ENERGY: 342800 3972.8051 20474.3797 14445.9905 243.3693 -203630.4346 2549.6823 0.0000 0.0000 52080.0830 -109864.1248 299.3050 -161944.2077 -109504.0232 298.7961 -195.5888 -169.6829 761740.4394 -19.7712 -19.8297 PRESSURE: 343000 199.33 -257.326 -165.582 -257.327 214.419 182.397 -165.582 182.397 -179.196 GPRESSURE: 343000 283.843 -271.803 -90.9424 -247.993 258.635 178.983 -27.0925 130.189 -194.964 PRESSAVG: 343000 45.6712 -55.9507 -30.1069 -55.9507 -3.23658 34.1405 -30.1068 34.1405 -3.90731 GPRESSAVG: 343000 45.133 -54.8735 -29.6615 -57.0083 -4.48628 35.4027 -31.2183 35.3661 -2.78778 TIMING: 343000 CPU: 1079.92, 0.00313459/step Wall: 1079.92, 0.00313459/step, 4.05494 hours remaining, 233.238281 MB of memory in use. ENERGY: 343000 3851.6520 20436.7746 14372.0247 242.1977 -203686.5314 2758.6380 0.0000 0.0000 52126.5613 -109898.6831 299.5721 -162025.2444 -109542.1520 299.3074 78.1842 115.8379 758512.1711 12.8424 12.6197 PRESSURE: 343200 313.611 -70.901 86.8483 -70.9007 -99.0144 132.386 86.8485 132.385 245.805 GPRESSURE: 343200 347.191 -52.4619 68.2978 -37.2227 -114.034 83.312 116.668 133.969 308.949 PRESSAVG: 343200 21.8293 -44.2786 0.740129 -44.2785 -42.071 -19.7841 0.7402 -19.784 12.9582 GPRESSAVG: 343200 21.6412 -42.5629 -0.67932 -43.2377 -42.2799 -20.3603 3.48505 -20.9046 13.0897 TIMING: 343200 CPU: 1080.54, 0.00313032/step Wall: 1080.54, 0.00313032/step, 4.04925 hours remaining, 233.238281 MB of memory in use. ENERGY: 343200 3951.5298 20624.6603 14435.9390 245.5266 -203496.9458 2561.0473 0.0000 0.0000 51765.9096 -109912.3332 297.4994 -161678.2428 -109549.2376 298.8811 153.4672 180.7016 759777.8445 -2.4278 -2.5163 PRESSURE: 343400 46.4169 168.22 259.229 168.22 -105.116 69.8717 259.229 69.8715 32.3973 GPRESSURE: 343400 -28.3867 128.336 120.579 -20.2981 35.1358 36.4532 203.742 41.4143 48.8233 PRESSAVG: 343400 25.9929 -1.54262 23.67 -1.54263 10.0631 21.2606 23.6701 21.2607 5.0941 GPRESSAVG: 343400 25.8004 -1.22683 23.7324 -4.03805 10.4665 22.1193 20.745 20.3068 4.99591 TIMING: 343400 CPU: 1081.17, 0.00313535/step Wall: 1081.17, 0.00313535/step, 4.05558 hours remaining, 233.238281 MB of memory in use. ENERGY: 343400 3933.1482 20402.2590 14418.9798 241.5363 -203364.9319 2572.2210 0.0000 0.0000 51919.4100 -109877.3776 298.3816 -161796.7876 -109513.1287 298.5320 -8.7672 18.5241 760487.5444 13.7167 13.7543 PRESSURE: 343600 236.931 -277.888 -177.548 -277.888 402.425 -186.398 -177.547 -186.398 623.317 GPRESSURE: 343600 321.595 -120.626 -264.887 -232.941 425.934 -203.276 -111.323 -108.243 589.492 PRESSAVG: 343600 -16.5906 -48.4471 -45.5823 -48.4471 -50.594 -13.373 -45.5823 -13.373 5.34988 GPRESSAVG: 343600 -16.8279 -49.6089 -44.9687 -48.3796 -49.7042 -14.2029 -43.1942 -11.307 4.63565 TIMING: 343600 CPU: 1081.8, 0.00315187/step Wall: 1081.8, 0.00315187/step, 4.07677 hours remaining, 233.238281 MB of memory in use. ENERGY: 343600 3945.3067 20485.5073 14448.0569 261.7512 -203989.6285 2803.4263 0.0000 0.0000 52236.7453 -109808.8348 300.2053 -162045.5801 -109446.9856 299.0026 420.8909 445.6736 758315.4768 -20.6116 -20.6322 PRESSURE: 343800 -125.328 -262.366 -5.01514 -262.367 383.468 -99.72 -5.01514 -99.72 -30.3437 GPRESSURE: 343800 -64.9097 -199.83 19.812 -177.158 373.8 -100.28 86.241 -218.211 -15.3658 PRESSAVG: 343800 -9.85439 -54.5907 -6.32104 -54.5907 39.0398 -41.5548 -6.3211 -41.5549 13.8347 GPRESSAVG: 343800 -8.38086 -55.2106 -5.84409 -51.8095 37.6912 -41.0808 -6.43102 -43.0556 13.1361 TIMING: 343800 CPU: 1082.43, 0.00316486/step Wall: 1082.43, 0.00316486/step, 4.09339 hours remaining, 233.238281 MB of memory in use. ENERGY: 343800 4009.0941 20528.5451 14428.7570 249.8956 -203867.0300 2673.5347 0.0000 0.0000 52076.2521 -109900.9513 299.2829 -161977.2034 -109524.6374 298.9161 75.9322 97.8415 759892.8112 14.3400 14.1488 PRESSURE: 344000 93.5399 -21.4042 -148.409 -21.4044 -131.538 -82.1338 -148.41 -82.1341 -120.049 GPRESSURE: 344000 102.108 -94.7382 -153.436 -64.9096 -7.28968 -100.768 -51.3534 16.4068 -174.477 PRESSAVG: 344000 -36.2133 -58.947 -24.1929 -58.9469 10.278 -2.98845 -24.193 -2.98848 -5.68832 GPRESSAVG: 344000 -36.8284 -59.2668 -24.9586 -59.82 10.0635 -2.30128 -25.5301 -2.20455 -4.1659 TIMING: 344000 CPU: 1083.06, 0.00314689/step Wall: 1083.06, 0.00314689/step, 4.06997 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 344000 3933.0592 20520.6225 14412.0796 256.7634 -203739.1179 2587.4133 0.0000 0.0000 51935.9294 -110093.2504 298.4765 -162029.1798 -109730.1046 298.1915 -52.6824 -26.5528 760805.5749 -10.5412 -10.3103 PRESSURE: 344200 6.15462 -12.3268 -25.6693 -12.3266 -75.9976 -130.086 -25.6687 -130.087 -16.1318 GPRESSURE: 344200 23.9876 31.6134 -14.841 -6.30117 10.4597 -179.176 36.3251 -96.0319 -41.45 PRESSAVG: 344200 -5.71676 -55.4756 -45.7612 -55.4756 46.6984 -59.3838 -45.7612 -59.3837 -15.8191 GPRESSAVG: 344200 -5.2763 -54.2791 -46.1064 -55.15 47.3103 -61.2583 -45.1919 -56.3088 -16.2385 TIMING: 344200 CPU: 1083.69, 0.00313754/step Wall: 1083.69, 0.00313754/step, 4.05771 hours remaining, 233.238281 MB of memory in use. ENERGY: 344200 3881.0908 20501.9402 14532.4321 259.3807 -203565.5667 2609.7655 0.0000 0.0000 51793.4029 -109987.5546 297.6574 -161780.9575 -109630.3417 298.3272 -28.6583 -2.3342 759453.9186 8.3875 8.5985 LDB: ============= START OF LOAD BALANCING ============== 1096.09 LDB: ============== END OF LOAD BALANCING =============== 1096.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1096.09 LDB: ============= START OF LOAD BALANCING ============== 1096.41 LDB: Largest compute 7026 load 0.031814 is 16.3% of average load 0.195671 LDB: Average compute 0.004374 is 2.2% of average load 0.195671 LDB: TIME 1096.41 LOAD: AVG 0.195671 MAX 0.216025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.852 MB LDB: TIME 1096.41 LOAD: AVG 0.195671 MAX 0.216025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.973 MB LDB: TIME 1096.41 LOAD: AVG 0.195671 MAX 0.216025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.973 MB LDB: ============== END OF LOAD BALANCING =============== 1096.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1096.42 PRESSURE: 344400 95.1558 261.008 175.726 261.009 319.258 149.553 175.727 149.553 44.6916 GPRESSURE: 344400 175.184 159.085 165.814 125.895 269.589 165.113 161.609 11.93 118.739 PRESSAVG: 344400 -50.5971 -23.4657 54.6997 -23.4657 48.5132 -31.7987 54.6997 -31.7987 -4.8126 GPRESSAVG: 344400 -49.9423 -25.1781 54.8467 -24.2658 46.5545 -32.0993 58.0507 -33.7246 -3.69243 TIMING: 344400 CPU: 1084.33, 0.00322469/step Wall: 1084.33, 0.0032247/step, 4.17025 hours remaining, 231.492188 MB of memory in use. ENERGY: 344400 3959.4214 20330.9697 14421.1152 251.7158 -203909.0805 2818.3825 0.0000 0.0000 52080.3244 -110047.1515 299.3063 -162127.4760 -109688.8671 298.3753 153.0350 187.8371 759893.2596 -2.2988 -2.3601 PRESSURE: 344600 -66.9734 111.361 -100.129 111.361 -60.2956 155.378 -100.129 155.378 -190.184 GPRESSURE: 344600 15.6644 4.6016 -133.529 185.873 -59.0175 140.041 -94.6098 114.653 -211.37 PRESSAVG: 344600 6.19178 -46.7597 -6.25822 -46.7597 35.2182 -3.54152 -6.25821 -3.54141 1.55766 GPRESSAVG: 344600 5.79683 -46.1823 -7.20064 -45.2762 36.8233 -2.54507 -9.63074 -2.62234 0.0796914 TIMING: 344600 CPU: 1084.96, 0.00314698/step Wall: 1084.96, 0.00314698/step, 4.06956 hours remaining, 231.695312 MB of memory in use. ENERGY: 344600 4020.6329 20483.4488 14480.8368 260.7940 -203852.7103 2683.5227 0.0000 0.0000 52037.3954 -109886.0796 299.0596 -161923.4750 -109528.6563 298.5945 -105.8177 -84.9078 761738.5053 14.3225 14.2333 PRESSURE: 344800 183.664 113.693 -4.76338 113.693 -66.3308 174.806 -4.76369 174.807 50.8368 GPRESSURE: 344800 313.049 116.328 24.2475 187.113 -83.8098 175.329 70.9258 183.411 33.4259 PRESSAVG: 344800 12.0713 -49.5476 -9.5741 -49.5476 -27.5476 -13.9904 -9.57418 -13.9903 -24.6763 GPRESSAVG: 344800 11.6641 -45.9773 -9.00734 -51.2415 -27.9281 -15.5085 -8.90438 -14.9751 -23.77 TIMING: 344800 CPU: 1085.59, 0.0031391/step Wall: 1085.59, 0.0031391/step, 4.05921 hours remaining, 231.695312 MB of memory in use. ENERGY: 344800 3919.3448 20379.1635 14471.9365 243.4992 -203709.5091 2588.2138 0.0000 0.0000 52230.6100 -109876.7414 300.1700 -162107.3513 -109513.9970 298.5625 56.0567 87.5552 762017.7676 -13.3842 -13.3447 PRESSURE: 345000 203.188 -61.3007 -95.1354 -61.3006 48.2903 208.809 -95.1357 208.809 -38.7499 GPRESSURE: 345000 321.041 -116.535 -9.92072 -18.4855 34.7687 237.282 -112.8 294.889 -56.1681 PRESSAVG: 345000 -26.8157 -20.3562 9.77906 -20.3562 20.3299 25.5459 9.77898 25.5459 -38.6526 GPRESSAVG: 345000 -27.3264 -23.2836 9.68978 -19.2286 21.0542 27.5158 10.7072 24.4012 -38.4912 TIMING: 345000 CPU: 1086.22, 0.00313948/step Wall: 1086.22, 0.00313948/step, 4.05952 hours remaining, 231.695312 MB of memory in use. ENERGY: 345000 3985.7018 20458.7292 14480.7913 240.2055 -203769.8237 2718.8691 0.0000 0.0000 52008.4929 -109877.0339 298.8935 -161885.5268 -109519.5069 298.3784 70.9095 99.8804 759854.6958 -15.0461 -14.9211 PRESSURE: 345200 -199.278 -138.083 46.2062 -138.083 -116.207 -145.644 46.2051 -145.645 15.1918 GPRESSURE: 345200 -153.814 -54.2248 22.3971 -142.873 -64.0943 -126.843 19.3126 -190.896 35.7293 PRESSAVG: 345200 -26.6752 -18.2068 15.3348 -18.2068 7.66037 38.5943 15.3348 38.5943 -12.646 GPRESSAVG: 345200 -26.5515 -18.3837 15.4882 -18.6368 8.63615 38.2844 15.5837 39.4475 -13.5087 TIMING: 345200 CPU: 1086.85, 0.0031539/step Wall: 1086.85, 0.0031539/step, 4.07799 hours remaining, 231.734375 MB of memory in use. ENERGY: 345200 3936.1044 20479.6964 14445.2623 248.6309 -203594.7820 2610.9093 0.0000 0.0000 51924.4844 -109949.6944 298.4107 -161874.1788 -109577.5311 298.4493 -100.0979 -60.7265 760323.1980 -10.5536 -10.4747 PRESSURE: 345400 -65.9946 16.8562 -57.2904 16.8553 -42.8272 -105.998 -57.2907 -105.998 88.9974 GPRESSURE: 345400 45.391 -43.8898 57.1574 12.7475 -46.0329 -95.7952 -101.846 -102.348 67.8394 PRESSAVG: 345400 14.8179 9.8236 -10.3298 9.82362 -11.9173 11.2949 -10.3298 11.2949 3.39292 GPRESSAVG: 345400 15.5798 11.0176 -9.50457 10.5463 -12.3553 11.5922 -10.6989 12.3633 2.83586 TIMING: 345400 CPU: 1087.48, 0.00313246/step Wall: 1087.48, 0.00313246/step, 4.0501 hours remaining, 231.734375 MB of memory in use. ENERGY: 345400 4034.3582 20416.8070 14466.4860 254.5869 -203159.8424 2342.8560 0.0000 0.0000 51864.8264 -109779.9220 298.0679 -161644.7484 -109415.2254 298.9880 -6.6081 22.3992 759471.6280 2.0978 2.0201 PRESSURE: 345600 19.9225 63.6407 -189.1 63.641 -104.089 343.964 -189.101 343.965 -212.917 GPRESSURE: 345600 59.1267 39.6606 -244.62 10.2273 -21.9192 336.887 -150.49 277.087 -246.544 PRESSAVG: 345600 50.3732 -57.7721 -14.1431 -57.7722 -44.2903 37.5665 -14.1432 37.5663 -21.8951 GPRESSAVG: 345600 50.2155 -58.78 -12.8144 -57.4899 -43.3641 36.8704 -14.5801 35.6418 -22.5349 TIMING: 345600 CPU: 1088.1, 0.00313136/step Wall: 1088.1, 0.00313136/step, 4.0485 hours remaining, 231.734375 MB of memory in use. ENERGY: 345600 4042.1469 20579.5501 14362.7926 246.9578 -203550.1780 2472.4172 0.0000 0.0000 52013.9976 -109832.3157 298.9252 -161846.3133 -109466.2488 299.1630 -99.0281 -69.7788 760682.3974 -5.2707 -5.2278 PRESSURE: 345800 -37.6284 -228.092 -130.587 -228.092 -221.345 -139.981 -130.588 -139.98 31.6476 GPRESSURE: 345800 3.05202 -206.233 -154.655 -242.152 -210.056 -134.975 -182.813 -38.453 49.6708 PRESSAVG: 345800 6.96403 -64.4869 28.7875 -64.487 47.4556 13.4087 28.7875 13.4087 10.579 GPRESSAVG: 345800 6.10699 -63.457 27.8957 -66.4676 46.9304 14.3325 28.927 13.9189 11.8426 TIMING: 345800 CPU: 1088.74, 0.00316489/step Wall: 1088.74, 0.00316489/step, 4.09168 hours remaining, 231.734375 MB of memory in use. ENERGY: 345800 3901.2806 20352.9409 14388.1277 236.6941 -203734.1097 2713.6561 0.0000 0.0000 52163.0477 -109978.3627 299.7818 -162141.4104 -109612.5006 298.5313 -75.7754 -52.4444 760304.0012 21.6662 21.6266 PRESSURE: 346000 -237.338 18.6776 8.95653 18.6758 401.378 -39.699 8.95672 -39.6993 -56.8339 GPRESSURE: 346000 -159.744 61.1655 58.3613 -126.119 394.731 20.2706 -82.6595 119.167 -61.5012 PRESSAVG: 346000 -22.0573 -41.3194 -1.65423 -41.3194 86.8817 -25.2061 -1.65421 -25.2061 -13.0279 GPRESSAVG: 346000 -22.8571 -42.4707 -1.53817 -40.2753 86.0753 -25.5403 -2.56511 -25.9887 -11.2433 TIMING: 346000 CPU: 1089.37, 0.00314982/step Wall: 1089.37, 0.00314982/step, 4.07202 hours remaining, 231.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 346000 3891.8251 20622.8329 14448.3595 233.2174 -204032.9406 2712.5269 0.0000 0.0000 52072.1008 -110052.0780 299.2591 -162124.1788 -109686.9903 298.8097 35.7355 57.8288 759504.9336 17.2655 17.3250 PRESSURE: 346200 29.1812 -207.804 176.473 -207.804 -489.621 -150.002 176.473 -150.002 -180.146 GPRESSURE: 346200 47.9724 -151.294 150.852 -96.3006 -429.819 -277.887 82.1271 -19.05 -157.465 PRESSAVG: 346200 2.70519 -106.105 -18.4131 -106.105 12.2425 -7.78682 -18.4131 -7.78683 -5.80367 GPRESSAVG: 346200 2.13754 -106.05 -18.6703 -106.737 13.2603 -8.01349 -19.1306 -6.14366 -6.33386 TIMING: 346200 CPU: 1089.99, 0.00313523/step Wall: 1089.99, 0.00313523/step, 4.05298 hours remaining, 231.734375 MB of memory in use. ENERGY: 346200 4037.2060 20544.7968 14401.3152 253.4276 -203379.2003 2305.1255 0.0000 0.0000 51692.9407 -110144.3886 297.0800 -161837.3293 -109794.2245 298.2559 -213.5288 -179.7706 760094.9276 3.0480 3.0213 PRESSURE: 346400 -161.234 -9.83648 39.5733 -9.8357 -56.7317 262.202 39.5734 262.202 -136.974 GPRESSURE: 346400 -124.143 -3.03219 122.203 -73.4325 39.0278 202.602 127.448 265.362 -205.77 PRESSAVG: 346400 59.2356 -46.6515 -9.42693 -46.6515 -18.1357 37.0672 -9.42692 37.0671 0.644553 GPRESSAVG: 346400 59.4086 -45.9187 -9.74197 -47.6362 -18.3373 37.2899 -7.53919 35.5766 0.0932791 TIMING: 346400 CPU: 1090.62, 0.00314384/step Wall: 1090.62, 0.00314384/step, 4.06393 hours remaining, 231.734375 MB of memory in use. ENERGY: 346400 3970.7712 20515.9218 14416.9347 255.0247 -203806.3191 2583.5329 0.0000 0.0000 51990.3911 -110073.7427 298.7895 -162064.1338 -109719.7353 298.3786 -118.3133 -96.9617 760049.2278 13.9148 13.7215 PRESSURE: 346600 -197.37 27.4321 -47.3297 27.4321 47.2498 -29.529 -47.3285 -29.5286 36.6172 GPRESSURE: 346600 -130.076 13.2393 -171.974 74.3437 43.94 -157.349 6.07779 -26.6221 37.407 PRESSAVG: 346600 -7.47477 -34.7267 24.0448 -34.7266 -7.82025 5.51234 24.0448 5.51246 -3.296 GPRESSAVG: 346600 -6.14512 -33.51 23.9578 -34.9178 -8.90433 5.18909 24.5929 6.42479 -3.7608 TIMING: 346600 CPU: 1091.26, 0.00317237/step Wall: 1091.26, 0.00317237/step, 4.10064 hours remaining, 231.734375 MB of memory in use. ENERGY: 346600 4078.7561 20277.5837 14363.3648 241.3872 -203819.9658 2632.5736 0.0000 0.0000 52115.5940 -110110.7063 299.5090 -162226.3003 -109741.2656 298.4114 -37.8342 -16.2430 759435.4739 -6.1970 -6.2701 PRESSURE: 346800 177.541 164.497 -123.892 164.497 84.5248 -110.11 -123.892 -110.109 -83.2169 GPRESSURE: 346800 154.33 286.283 -152.101 106.519 132.894 -111.987 -155.988 -62.6438 -42.1085 PRESSAVG: 346800 33.7349 -47.4179 -17.8195 -47.4179 -45.5985 23.674 -17.8196 23.674 -0.42697 GPRESSAVG: 346800 32.0418 -47.8168 -17.5115 -49.5635 -43.586 25.2746 -18.3081 22.1063 -0.650815 TIMING: 346800 CPU: 1091.89, 0.00315344/step Wall: 1091.89, 0.00315344/step, 4.076 hours remaining, 231.734375 MB of memory in use. ENERGY: 346800 3954.1376 20505.6506 14445.3411 256.3959 -203583.0741 2631.4958 0.0000 0.0000 51691.7820 -110098.2710 297.0734 -161790.0530 -109741.5209 297.9392 59.6164 81.7052 759811.9686 -4.0969 -4.0650 PRESSURE: 347000 -0.149491 -53.629 121.958 -53.6291 161.405 -142.2 121.958 -142.2 -95.3231 GPRESSURE: 347000 51.6079 67.9574 168.912 15.1001 283.36 -159.817 133.464 -65.0331 -154.487 PRESSAVG: 347000 -27.1945 -11.2738 33.1244 -11.2738 -17.0918 21.6624 33.1243 21.6625 -3.75643 GPRESSAVG: 347000 -25.8123 -13.4096 33.7924 -6.66807 -17.4218 20.0474 32.7257 24.152 -4.51551 TIMING: 347000 CPU: 1092.52, 0.00314853/step Wall: 1092.52, 0.00314853/step, 4.06948 hours remaining, 231.734375 MB of memory in use. ENERGY: 347000 3906.0835 20434.6814 14395.5739 234.8728 -203145.3959 2562.6024 0.0000 0.0000 51727.9501 -109883.6319 297.2812 -161611.5820 -109527.3783 298.2823 21.9776 60.1603 761264.0584 -16.0142 -15.9165 PRESSURE: 347200 -211.079 -34.8158 53.8552 -34.8162 -356.804 -59.9529 53.8552 -59.9539 -186.221 GPRESSURE: 347200 -209.456 -105.992 62.7993 -109.285 -253.586 -67.8203 -46.9503 -56.9224 -175.302 PRESSAVG: 347200 -25.5776 -6.03555 -54.5823 -6.03559 25.8758 61.2233 -54.5823 61.2233 3.81953 GPRESSAVG: 347200 -25.8117 -4.58192 -56.0913 -7.9269 26.0581 60.6869 -54.1133 61.6305 4.45949 TIMING: 347200 CPU: 1093.14, 0.0031389/step Wall: 1093.14, 0.0031389/step, 4.05685 hours remaining, 231.734375 MB of memory in use. ENERGY: 347200 4030.1103 20388.1147 14455.1600 235.2689 -203049.4596 2119.8005 0.0000 0.0000 51997.8884 -109823.1169 298.8326 -161821.0053 -109461.6278 298.5532 -251.3681 -212.7811 761320.5856 1.3726 1.5686 PRESSURE: 347400 58.1905 68.2025 4.61836 68.2028 320.464 212.339 4.61866 212.34 -281.93 GPRESSURE: 347400 59.6026 139.188 27.9971 57.7288 400.074 221.152 83.6297 202.068 -301.542 PRESSAVG: 347400 -34.6226 -30.8404 -18.8253 -30.8404 43.0948 72.6309 -18.8253 72.6309 -2.75195 GPRESSAVG: 347400 -33.8701 -32.1277 -18.5346 -29.2998 42.3036 72.3666 -19.9812 72.0112 -3.11223 TIMING: 347400 CPU: 1093.78, 0.00316076/step Wall: 1093.78, 0.00316076/step, 4.08494 hours remaining, 231.734375 MB of memory in use. ENERGY: 347400 3947.2815 20536.9890 14392.4411 243.1447 -203709.1488 2751.4521 0.0000 0.0000 51930.4070 -109907.4334 298.4448 -161837.8405 -109544.6225 298.3402 32.2416 52.7116 761130.8568 1.9068 1.7738 PRESSURE: 347600 -295.812 -1.00142 -13.9039 -1.00178 -228.7 313.479 -13.9034 313.478 -72.1244 GPRESSURE: 347600 -296.874 -10.944 -14.57 -81.6788 -122.897 300.359 56.5277 230.467 -103.643 PRESSAVG: 347600 3.8203 -13.6372 -50.3879 -13.6373 -39.2016 67.7749 -50.3879 67.7749 -13.7155 GPRESSAVG: 347600 2.75267 -13.7857 -50.8784 -16.6195 -38.7989 69.7879 -50.9951 67.6035 -13.1425 TIMING: 347600 CPU: 1094.41, 0.00316858/step Wall: 1094.41, 0.00316858/step, 4.09486 hours remaining, 231.734375 MB of memory in use. ENERGY: 347600 4029.4766 20483.9124 14438.9504 235.1104 -203109.5185 2261.7745 0.0000 0.0000 51695.0363 -109965.2579 297.0921 -161660.2942 -109597.7893 298.4678 -198.8785 -174.4712 761209.1363 -16.3656 -16.3962 PRESSURE: 347800 -86.8954 -54.3995 40.691 -54.399 89.7891 -30.6375 40.6917 -30.637 20.4186 GPRESSURE: 347800 -28.2446 -18.2524 60.846 -82.5401 16.0133 139.842 48.9306 28.1224 117.155 PRESSAVG: 347800 -13.4971 -22.776 -28.5047 -22.776 4.54872 8.08103 -28.5047 8.08105 -3.49147 GPRESSAVG: 347800 -13.663 -23.1709 -28.7523 -19.8961 4.82333 6.92553 -26.9522 9.63154 -3.05408 TIMING: 347800 CPU: 1095.04, 0.0031344/step Wall: 1095.04, 0.0031344/step, 4.05051 hours remaining, 231.734375 MB of memory in use. ENERGY: 347800 3969.2677 20545.7430 14378.1814 246.4918 -203427.9616 2650.3639 0.0000 0.0000 51991.3064 -109646.6073 298.7948 -161637.9137 -109291.1941 298.4408 7.7708 34.9746 761846.8803 -4.1466 -3.9646 PRESSURE: 348000 66.5204 94.1705 181.909 94.1711 -148.057 -54.0026 181.909 -54.003 -181.385 GPRESSURE: 348000 115.468 172.451 266.92 71.1395 -58.9391 -93.5336 -29.2339 -85.8509 -225.568 PRESSAVG: 348000 -30.6215 -46.4814 20.717 -46.4814 0.402285 9.93382 20.717 9.93381 7.58213 GPRESSAVG: 348000 -30.2093 -45.3574 20.9929 -46.1073 0.210266 9.72408 19.7022 9.39384 6.52369 TIMING: 348000 CPU: 1095.66, 0.00313657/step Wall: 1095.66, 0.00313657/step, 4.05315 hours remaining, 231.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 348000 4036.9019 20679.9463 14463.2422 239.3922 -203356.3953 2635.0409 0.0000 0.0000 51796.2060 -109505.6659 297.6735 -161301.8719 -109152.6938 299.3461 -87.6407 -56.3463 763052.5534 -7.5457 -7.8251 PRESSURE: 348200 133.57 5.50347 98.5462 5.50399 69.0885 58.1409 98.5458 58.1402 341.625 GPRESSURE: 348200 151.989 -123.473 67.5045 36.4033 100.699 92.6382 191.896 56.3719 389.03 PRESSAVG: 348200 -46.9815 -6.35264 -61.8186 -6.35266 43.4899 28.5755 -61.8186 28.5755 23.5867 GPRESSAVG: 348200 -47.6787 -7.9284 -61.4816 -6.43277 43.6281 30.1277 -60.1983 28.7065 24.0226 TIMING: 348200 CPU: 1096.29, 0.00314105/step Wall: 1096.29, 0.00314105/step, 4.05876 hours remaining, 231.734375 MB of memory in use. ENERGY: 348200 3851.6520 20519.7986 14477.4120 243.8029 -203573.9110 2751.6576 0.0000 0.0000 52303.8427 -109425.7454 300.5909 -161729.5880 -109058.8843 299.3245 181.4276 213.9061 761024.8321 6.6984 6.6573 LDB: ============= START OF LOAD BALANCING ============== 1108.69 LDB: ============== END OF LOAD BALANCING =============== 1108.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1108.69 LDB: ============= START OF LOAD BALANCING ============== 1109.01 LDB: Largest compute 7025 load 0.033166 is 17.0% of average load 0.195661 LDB: Average compute 0.004376 is 2.2% of average load 0.195661 LDB: TIME 1109.01 LOAD: AVG 0.195661 MAX 0.216654 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.406 MB LDB: TIME 1109.01 LOAD: AVG 0.195661 MAX 0.216654 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.406 MB LDB: TIME 1109.01 LOAD: AVG 0.195661 MAX 0.216654 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.406 MB LDB: ============== END OF LOAD BALANCING =============== 1109.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1109.02 PRESSURE: 348400 -76.0243 -61.9173 -147.866 -61.9179 -154.095 -18.9806 -147.866 -18.9803 -361.085 GPRESSURE: 348400 -27.9459 -122.431 -214.303 -148.725 -136.972 86.3943 -68.6614 36.8804 -333.909 PRESSAVG: 348400 -58.4025 -15.4158 -37.8337 -15.4158 35.4738 -1.0077 -37.8337 -1.00779 0.434813 GPRESSAVG: 348400 -58.3248 -14.2653 -37.6347 -16.4972 35.7186 -3.27131 -37.5931 -2.43558 -0.153442 TIMING: 348400 CPU: 1096.93, 0.00320271/step Wall: 1096.93, 0.00320271/step, 4.13825 hours remaining, 232.390625 MB of memory in use. ENERGY: 348400 3997.8901 20683.7719 14478.3123 246.7151 -203309.1711 2493.1041 0.0000 0.0000 52181.6822 -109227.6954 299.8888 -161409.3776 -108865.5888 299.6073 -197.0681 -166.2757 760033.2461 -7.4980 -7.5866 PRESSURE: 348600 -73.3043 -112.432 -29.8264 -112.433 -182.059 197.02 -29.8262 197.02 150.598 GPRESSURE: 348600 -28.9515 -83.6647 55.932 -51.9217 -137.023 166.864 63.0363 165.332 138.896 PRESSAVG: 348600 -7.62079 -43.2427 -2.66018 -43.2427 29.0896 19.4668 -2.66018 19.4668 -9.14687 GPRESSAVG: 348600 -7.38801 -44.2404 -1.74663 -42.9088 27.8257 19.9509 -3.2854 19.0995 -8.51989 TIMING: 348600 CPU: 1097.56, 0.00313254/step Wall: 1097.56, 0.00313254/step, 4.04742 hours remaining, 232.593750 MB of memory in use. ENERGY: 348600 4035.6213 20525.2489 14435.2648 256.4232 -203073.9217 2383.0892 0.0000 0.0000 52334.1504 -109104.1240 300.7651 -161438.2744 -108744.4264 300.2082 -34.9219 -9.0259 761051.2235 4.1073 3.9726 PRESSURE: 348800 -420.706 -89.6869 -58.928 -89.6859 -16.2118 -33.3075 -58.9283 -33.3071 -150.32 GPRESSURE: 348800 -305.682 -31.8017 -83.4707 -46.6503 24.5106 -72.4497 -1.42375 -116.44 -199.777 PRESSAVG: 348800 -24.5122 -25.9553 33.2153 -25.9553 51.8144 42.5128 33.2153 42.5128 5.23579 GPRESSAVG: 348800 -24.2617 -26.1226 33.7104 -25.8618 52.7215 43.0574 33.8993 42.7459 4.92235 TIMING: 348800 CPU: 1098.19, 0.00312966/step Wall: 1098.19, 0.00312966/step, 4.04353 hours remaining, 232.593750 MB of memory in use. ENERGY: 348800 4039.9184 20641.3737 14436.3055 246.2693 -203029.2249 2254.2846 0.0000 0.0000 52035.3049 -109375.7684 299.0476 -161411.0733 -109020.3320 300.0422 -195.7460 -160.3159 760717.8615 10.8460 11.1274 PRESSURE: 349000 21.2722 5.06333 -181.557 5.06337 -120.095 181.792 -181.557 181.791 114.356 GPRESSURE: 349000 93.5632 3.66912 -116.862 1.02344 -62.2291 215.885 -218.437 288.716 94.1419 PRESSAVG: 349000 1.17044 -14.8438 57.6858 -14.8438 31.6041 27.0342 57.6857 27.0342 2.64967 GPRESSAVG: 349000 1.20127 -14.4358 56.8376 -15.0535 32.9617 26.2308 57.4269 27.5869 1.82388 TIMING: 349000 CPU: 1098.81, 0.00312618/step Wall: 1098.81, 0.00312618/step, 4.03886 hours remaining, 232.593750 MB of memory in use. ENERGY: 349000 3943.1197 20480.5723 14448.5031 248.0451 -203743.7027 3073.2963 0.0000 0.0000 52384.7299 -109165.4363 301.0558 -161550.1662 -108801.3690 300.2637 5.1775 41.8253 761625.3287 11.8081 11.9956 PRESSURE: 349200 10.2465 13.9422 30.0672 13.9422 -72.9323 126.691 30.0682 126.69 187.517 GPRESSURE: 349200 24.965 31.2686 38.7021 -85.1541 63.8634 97.0337 -15.5664 103.312 129.469 PRESSAVG: 349200 34.5989 -22.7885 -14.2216 -22.7885 -44.3054 87.974 -14.2216 87.974 4.42167 GPRESSAVG: 349200 34.9277 -22.7618 -13.522 -20.8626 -45.4232 88.5183 -16.2782 86.4758 4.9053 TIMING: 349200 CPU: 1099.45, 0.00317661/step Wall: 1099.45, 0.00317661/step, 4.10383 hours remaining, 232.593750 MB of memory in use. ENERGY: 349200 3922.4819 20517.7977 14503.8046 232.4378 -202759.7645 2510.6009 0.0000 0.0000 51834.7118 -109237.9299 297.8948 -161072.6417 -108889.0552 300.0450 41.6103 72.7656 762754.5339 -1.7616 -1.8634 PRESSURE: 349400 31.7776 -74.1787 76.9235 -74.179 -140.204 -137.242 76.9235 -137.242 -202.962 GPRESSURE: 349400 50.044 -84.0853 -49.7963 -120.242 -137.87 -24.3063 62.7423 -185.38 -115.989 PRESSAVG: 349400 11.2106 -16.9148 -12.9323 -16.9147 -16.993 -26.2428 -12.9323 -26.2429 -6.44744 GPRESSAVG: 349400 11.1974 -16.0979 -14.3834 -17.8286 -17.1272 -25.8641 -11.0686 -24.7912 -6.14857 TIMING: 349400 CPU: 1100.08, 0.0031675/step Wall: 1100.08, 0.0031675/step, 4.09189 hours remaining, 232.593750 MB of memory in use. ENERGY: 349400 4020.5545 20475.3715 14498.9653 253.9430 -202808.4826 2260.3480 0.0000 0.0000 52181.3267 -109117.9735 299.8868 -161299.3002 -108761.8891 299.8240 -103.7961 -67.9384 762184.5930 -4.0766 -4.0261 PRESSURE: 349600 84.478 54.3994 -24.2291 54.3993 240.763 245.478 -24.229 245.479 -207.62 GPRESSURE: 349600 168.697 57.9742 -49.239 -64.9077 278.41 323.615 -96.5732 217.963 -225.638 PRESSAVG: 349600 -11.0041 30.6282 7.80383 30.6282 25.08 51.9688 7.80384 51.9689 -20.7223 GPRESSAVG: 349600 -11.3997 30.2647 7.79844 29.8488 25.4371 52.1182 5.84143 50.9281 -21.3759 TIMING: 349600 CPU: 1100.71, 0.00315325/step Wall: 1100.71, 0.00315325/step, 4.0733 hours remaining, 232.593750 MB of memory in use. ENERGY: 349600 3948.8747 20564.5656 14472.4808 233.7009 -203255.2983 2523.2565 0.0000 0.0000 52332.4002 -109180.0195 300.7550 -161512.4197 -108824.1866 299.6685 39.2067 73.8231 760830.9958 -2.2155 -2.4461 PRESSURE: 349800 205.852 63.486 182.598 63.4858 -68.7104 -116.8 182.598 -116.8 -72.2748 GPRESSURE: 349800 414.323 -25.9437 116.088 -38.7483 -85.9801 -125.723 175.363 -177.297 -177.102 PRESSAVG: 349800 -22.8703 -17.1006 30.3824 -17.1007 3.82894 14.8842 30.3824 14.8843 21.4202 GPRESSAVG: 349800 -23.4971 -16.6241 31.7961 -15.467 3.81881 13.823 31.8923 18.0323 22.122 TIMING: 349800 CPU: 1101.34, 0.00316299/step Wall: 1101.34, 0.00316299/step, 4.08571 hours remaining, 232.593750 MB of memory in use. ENERGY: 349800 3922.2421 20440.3066 14426.2878 231.1713 -203080.4849 2447.8830 0.0000 0.0000 52252.8024 -109359.7918 300.2976 -161612.5942 -108991.8358 299.8356 21.6222 50.4136 762552.4978 0.7930 0.8146 PRESSURE: 350000 -137.404 -84.7638 -135.121 -84.7638 73.5948 262.188 -135.122 262.188 -91.4997 GPRESSURE: 350000 -102.868 -110.905 -219.24 -132.486 97.6002 193.328 34.7543 165.945 -63.7762 PRESSAVG: 350000 -21.7596 -30.0908 -11.9443 -30.0908 46.705 -16.1833 -11.9443 -16.1833 12.651 GPRESSAVG: 350000 -22.2114 -28.9813 -12.8963 -32.198 47.2892 -14.5986 -14.7695 -21.1555 12.7931 TIMING: 350000 CPU: 1101.97, 0.00313733/step Wall: 1101.97, 0.00313733/step, 4.05239 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 350000 3975.7447 20418.9613 14446.4225 241.8035 -202842.3610 2147.6790 0.0000 0.0000 52248.5867 -109363.1632 300.2733 -161611.7499 -109007.5965 299.3600 -51.7697 -23.0146 760631.1520 12.5321 12.6237 PRESSURE: 350200 -133.568 132.174 -55.6655 132.174 277.558 8.70003 -55.6654 8.69934 -302.05 GPRESSURE: 350200 -119.616 45.6965 -79.6106 181.845 347.892 87.6359 -109.058 104.774 -301.021 PRESSAVG: 350200 -21.8706 -34.2785 -7.69993 -34.2785 -9.89492 24.3027 -7.69993 24.3027 14.6979 GPRESSAVG: 350200 -20.7834 -34.9627 -7.79104 -33.035 -10.9408 25.229 -7.01539 25.9759 14.6709 TIMING: 350200 CPU: 1102.6, 0.00315634/step Wall: 1102.6, 0.00315634/step, 4.07676 hours remaining, 232.593750 MB of memory in use. ENERGY: 350200 4044.5408 20504.4060 14481.1722 263.3613 -203350.4791 2651.7196 0.0000 0.0000 51974.2207 -109431.0585 298.6966 -161405.2792 -109075.7562 299.0253 -52.6867 -24.2485 762304.1732 -5.6892 -5.6844 PRESSURE: 350400 192.877 -23.0832 98.8152 -23.0836 60.5418 3.90217 98.8157 3.90126 138.526 GPRESSURE: 350400 316.537 -72.5903 138.393 29.0337 87.2454 -18.8946 35.0571 131.862 55.3716 PRESSAVG: 350400 17.8612 -67.4434 8.05583 -67.4434 -38.8559 58.174 8.05582 58.174 -5.32764 GPRESSAVG: 350400 17.0471 -69.0227 9.06993 -65.8876 -37.1747 56.1901 8.1953 59.7796 -6.41341 TIMING: 350400 CPU: 1103.23, 0.00314067/step Wall: 1103.23, 0.00314067/step, 4.05635 hours remaining, 232.593750 MB of memory in use. ENERGY: 350400 3956.6368 20358.0931 14390.1416 251.3346 -203301.1275 2355.0187 0.0000 0.0000 52245.0877 -109744.8151 300.2532 -161989.9028 -109374.7769 298.8416 130.6484 153.0515 759277.4580 -8.7741 -8.8470 PRESSURE: 350600 -458.387 1.11866 -229.805 1.11895 -486.04 103.9 -229.804 103.9 -450.617 GPRESSURE: 350600 -440.556 -103.68 -240.328 60.6617 -391.225 -24.0623 -289.698 128.049 -485.938 PRESSAVG: 350600 3.5025 -48.8306 7.12354 -48.8307 -10.7187 10.1918 7.12359 10.1918 1.34223 GPRESSAVG: 350600 5.3294 -48.4367 5.58462 -51.2667 -11.688 9.63738 8.16362 9.4115 1.26708 TIMING: 350600 CPU: 1103.86, 0.00314159/step Wall: 1103.86, 0.00314159/step, 4.05737 hours remaining, 232.593750 MB of memory in use. ENERGY: 350600 4026.8737 20629.7086 14535.0075 248.4452 -203176.4966 1967.3979 0.0000 0.0000 51876.5381 -109892.5255 298.1352 -161769.0636 -109534.1346 298.2135 -465.0147 -439.2397 760146.5012 -1.9580 -1.6972 PRESSURE: 350800 -101.657 139.14 42.4493 139.14 29.3624 -14.895 42.4497 -14.8957 -64.737 GPRESSURE: 350800 -103.704 116.385 20.5472 -20.3378 79.3734 109.652 64.0496 53.5893 -4.13212 PRESSAVG: 350800 6.43103 -15.565 9.7132 -15.565 -22.7495 -3.03517 9.7132 -3.03522 -11.0986 GPRESSAVG: 350800 6.24032 -14.7172 10.1181 -14.5253 -22.7935 -2.59425 11.6881 -3.34068 -10.9624 TIMING: 350800 CPU: 1104.49, 0.00313562/step Wall: 1104.49, 0.00313562/step, 4.04948 hours remaining, 232.593750 MB of memory in use. ENERGY: 350800 4004.9249 20341.5887 14476.6051 235.4237 -203588.3865 2553.1203 0.0000 0.0000 52016.9740 -109959.7499 298.9423 -161976.7239 -109598.2896 298.4967 -45.6772 -9.4877 759225.3877 -9.1390 -9.1719 PRESSURE: 351000 183.108 23.1483 48.8074 23.1473 -57.647 -188.513 48.8065 -188.514 -74.2475 GPRESSURE: 351000 181.007 56.8848 52.1539 56.051 -57.1049 -157.264 28.8612 -202.115 28.156 PRESSAVG: 351000 9.0447 -25.1528 13.2503 -25.1527 27.2249 -23.9877 13.2503 -23.9876 -5.64819 GPRESSAVG: 351000 8.22493 -24.2557 13.4482 -25.8926 26.9091 -26.6057 12.151 -22.7829 -4.84536 TIMING: 351000 CPU: 1105.11, 0.00314685/step Wall: 1105.11, 0.00314685/step, 4.06381 hours remaining, 232.593750 MB of memory in use. ENERGY: 351000 4031.7354 20473.8322 14347.3408 236.6921 -203618.1165 2631.3448 0.0000 0.0000 52062.0885 -109835.0827 299.2015 -161897.1712 -109461.4590 298.4286 17.0710 50.6862 759339.1861 10.2071 10.0962 PRESSURE: 351200 -297.422 28.708 220.334 28.7083 -383.96 -20.8275 220.332 -20.8281 -570.485 GPRESSURE: 351200 -198.692 -40.9283 322.994 -34.969 -358.053 52.2897 158.036 -49.516 -626.215 PRESSAVG: 351200 15.8238 -20.3262 -14.1631 -20.3261 -28.9444 24.9696 -14.1631 24.9695 7.62871 GPRESSAVG: 351200 14.9061 -20.1678 -14.9372 -19.4707 -28.828 27.0819 -12.4879 22.8908 7.68438 TIMING: 351200 CPU: 1105.75, 0.00317274/step Wall: 1105.75, 0.00317274/step, 4.09706 hours remaining, 232.593750 MB of memory in use. ENERGY: 351200 3914.8499 20631.9736 14433.5489 242.2684 -202878.5664 2055.4429 0.0000 0.0000 51856.1148 -109744.3680 298.0178 -161600.4827 -109388.4624 298.7034 -417.2889 -394.3200 760764.3418 -1.8306 -2.0792 PRESSURE: 351400 97.625 -63.907 -21.0256 -63.9059 90.9276 34.7783 -21.0253 34.7797 -617.885 GPRESSURE: 351400 107.181 6.61867 -69.5554 98.0177 29.7177 8.58035 -80.7431 -24.8666 -459.987 PRESSAVG: 351400 23.8456 -78.0562 -34.0294 -78.0562 -16.4706 19.8052 -34.0294 19.8052 -6.8577 GPRESSAVG: 351400 23.6618 -79.4282 -32.4889 -77.871 -16.4071 20.4087 -36.0793 19.2203 -6.61184 TIMING: 351400 CPU: 1106.38, 0.00313547/step Wall: 1106.38, 0.00313547/step, 4.04876 hours remaining, 232.593750 MB of memory in use. ENERGY: 351400 4013.4619 20456.8426 14501.2224 230.1845 -203378.0259 2381.1397 0.0000 0.0000 52164.9813 -109630.1935 299.7929 -161795.1748 -109262.4154 299.1198 -143.1107 -107.6959 760360.6523 0.1725 0.2143 PRESSURE: 351600 -70.6217 124.815 134.947 124.814 77.0401 -118.289 134.946 -118.29 407.833 GPRESSURE: 351600 -81.0543 176.743 46.1401 15.5133 194.223 -62.3361 176.482 -62.1478 399.329 PRESSAVG: 351600 80.5778 -54.6394 15.4053 -54.6395 -51.1644 24.5008 15.4053 24.5008 -10.5983 GPRESSAVG: 351600 81.2326 -54.0644 14.0408 -55.6488 -51.6958 25.3624 16.1127 24.1224 -10.3908 TIMING: 351600 CPU: 1107, 0.00313121/step Wall: 1107, 0.00313121/step, 4.04309 hours remaining, 232.593750 MB of memory in use. ENERGY: 351600 4039.2780 20467.8096 14416.8730 256.6865 -203184.6728 2532.9702 0.0000 0.0000 52065.7022 -109405.3533 299.2223 -161471.0555 -109035.0053 299.3542 138.0839 170.8324 759708.4245 6.2717 6.3820 PRESSURE: 351800 -338.07 -5.26776 -98.0519 -5.26834 -169.554 -161.263 -98.0511 -161.262 196.504 GPRESSURE: 351800 -249.748 1.38027 -140.253 -50.5112 -135.196 -119.131 -56.6054 13.351 156.212 PRESSAVG: 351800 59.9467 -14.1613 3.17962 -14.1613 -75.3956 -51.1452 3.17958 -51.1453 0.938657 GPRESSAVG: 351800 59.163 -15.5843 3.7063 -11.8064 -75.3658 -51.9421 4.46675 -48.4654 1.07565 TIMING: 351800 CPU: 1107.63, 0.00313921/step Wall: 1107.63, 0.00313921/step, 4.05324 hours remaining, 232.593750 MB of memory in use. ENERGY: 351800 3985.7549 20577.8383 14401.0859 251.9479 -202821.2749 2119.8014 0.0000 0.0000 51950.8662 -109533.9802 298.5623 -161484.8465 -109177.8858 299.4046 -103.7068 -76.2443 762209.7012 -4.8367 -5.0424 PRESSURE: 352000 15.7103 -176.063 7.86651 -176.063 -119.45 -97.8932 7.86665 -97.8923 127.793 GPRESSURE: 352000 -5.47559 -157.239 -113.369 -198.607 1.55793 -86.6558 -85.2978 -137.958 123.037 PRESSAVG: 352000 -2.08016 -54.3136 -15.0948 -54.3136 -5.9095 -8.02935 -15.0947 -8.02925 16.735 GPRESSAVG: 352000 -3.31808 -53.4702 -14.0133 -54.3608 -4.63425 -8.35996 -17.2444 -9.27638 17.0443 TIMING: 352000 CPU: 1108.26, 0.00314302/step Wall: 1108.26, 0.00314302/step, 4.05798 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 352000 3979.7978 20479.1894 14407.9056 237.5365 -203292.7162 2544.7555 0.0000 0.0000 51977.8384 -109665.6930 298.7174 -161643.5314 -109308.5530 299.2511 8.0176 39.7064 761046.3234 2.9151 3.0307 PRESSURE: 352200 -82.0261 19.4727 82.7901 19.4727 -169.692 -123.598 82.7908 -123.597 174.155 GPRESSURE: 352200 -89.1794 155.983 103.934 -19.547 -147.879 -139.848 17.9551 -212.186 212.229 PRESSAVG: 352200 51.2235 -39.8333 31.1747 -39.8333 -51.8793 -8.68591 31.1747 -8.68587 7.15023 GPRESSAVG: 352200 51.8602 -38.3922 29.401 -40.8885 -52.2564 -9.12244 33.1053 -7.0075 6.4618 TIMING: 352200 CPU: 1108.89, 0.00313755/step Wall: 1108.89, 0.00313755/step, 4.05075 hours remaining, 232.593750 MB of memory in use. ENERGY: 352200 3988.7726 20459.1404 14536.5863 253.2368 -203843.9634 2789.2392 0.0000 0.0000 52163.0926 -109653.8955 299.7820 -161816.9881 -109278.3930 299.2378 -25.8541 -8.2766 761234.9659 2.1648 2.0219 LDB: ============= START OF LOAD BALANCING ============== 1121.29 LDB: ============== END OF LOAD BALANCING =============== 1121.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1121.29 LDB: ============= START OF LOAD BALANCING ============== 1121.6 LDB: Largest compute 7025 load 0.032590 is 16.7% of average load 0.195704 LDB: Average compute 0.004361 is 2.2% of average load 0.195704 LDB: TIME 1121.61 LOAD: AVG 0.195704 MAX 0.219125 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.91 MB LDB: TIME 1121.61 LOAD: AVG 0.195704 MAX 0.219125 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.023 MB LDB: TIME 1121.61 LOAD: AVG 0.195704 MAX 0.219125 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.023 MB LDB: ============== END OF LOAD BALANCING =============== 1121.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1121.61 PRESSURE: 352400 -144.116 72.8338 -50.578 72.8335 -72.3277 54.6417 -50.5789 54.641 542.215 GPRESSURE: 352400 -72.6638 -32.5201 -71.9431 -1.60458 -105.218 -1.54569 -21.5486 -10.9441 583.776 PRESSAVG: 352400 -9.72414 -24.8763 -26.9649 -24.8763 16.1808 21.8611 -26.965 21.8611 -8.17956 GPRESSAVG: 352400 -9.91246 -25.951 -27.4343 -25.0104 15.9512 22.2706 -28.5177 19.9996 -7.40798 TIMING: 352400 CPU: 1109.53, 0.00322364/step Wall: 1109.53, 0.00322364/step, 4.16172 hours remaining, 232.140625 MB of memory in use. ENERGY: 352400 4025.0048 20297.6198 14444.9486 242.7747 -203471.5138 2728.1637 0.0000 0.0000 52148.8409 -109584.1614 299.7001 -161733.0022 -109210.2037 299.1177 108.5905 135.2979 761275.1885 -0.5743 -0.4564 PRESSURE: 352600 385.367 -33.4717 36.3274 -33.4724 14.9764 107.811 36.3275 107.812 261.625 GPRESSURE: 352600 353.385 -13.5961 35.7977 -54.5311 164.019 55.7506 48.2865 181.84 234.479 PRESSAVG: 352600 37.191 -29.86 -40.9757 -29.8601 -11.5073 18.8202 -40.9758 18.8202 -7.62582 GPRESSAVG: 352600 38.1454 -31.4148 -39.5081 -29.502 -11.5055 18.5436 -40.3714 19.6674 -8.27868 TIMING: 352600 CPU: 1110.16, 0.00316165/step Wall: 1110.16, 0.00316165/step, 4.08151 hours remaining, 231.394531 MB of memory in use. ENERGY: 352600 4057.6342 20454.5969 14410.2554 261.1382 -203286.5689 2601.2962 0.0000 0.0000 51982.5213 -109519.1267 298.7443 -161501.6480 -109163.1985 299.4969 220.6562 250.6277 760605.1039 6.0193 6.1204 PRESSURE: 352800 150.177 -8.44202 -498.645 -8.4423 -235.097 192.735 -498.645 192.736 -239.822 GPRESSURE: 352800 162.116 -120.201 -456.962 21.9659 -99.6405 237.986 -545.089 110.883 -292.654 PRESSAVG: 352800 17.4439 -22.9434 -31.0619 -22.9434 -45.0959 -2.73521 -31.0618 -2.73524 -11.3581 GPRESSAVG: 352800 17.1566 -20.6777 -31.3467 -26.465 -45.4189 -2.26662 -30.9201 -2.58946 -10.8384 TIMING: 352800 CPU: 1110.79, 0.00313792/step Wall: 1110.79, 0.00313792/step, 4.05071 hours remaining, 231.597656 MB of memory in use. ENERGY: 352800 3966.5554 20410.8957 14519.5277 238.6711 -203372.2586 2431.9779 0.0000 0.0000 52364.6979 -109439.9328 300.9406 -161804.6308 -109081.8999 299.2683 -108.2474 -76.7261 761431.7819 -13.0034 -13.0336 PRESSURE: 353000 249.057 150.253 -80.3333 150.254 138.257 -141.186 -80.3325 -141.185 -69.685 GPRESSURE: 353000 250.637 97.2655 -158.334 161.746 166.302 -147.567 -55.3737 -192.246 -10.7025 PRESSAVG: 353000 36.2614 46.3997 -13.6228 46.3997 -38.017 6.3285 -13.6229 6.3285 -12.4882 GPRESSAVG: 353000 36.3713 42.4716 -15.2181 51.5721 -38.1837 5.13475 -13.068 6.69831 -12.8561 TIMING: 353000 CPU: 1111.42, 0.00313944/step Wall: 1111.42, 0.00313944/step, 4.05249 hours remaining, 231.597656 MB of memory in use. ENERGY: 353000 4047.1773 20348.6710 14499.8365 252.7799 -203351.0596 2456.2967 0.0000 0.0000 52058.9628 -109687.3354 299.1836 -161746.2982 -109323.8097 298.9853 105.8764 135.4123 759939.1573 -4.7480 -4.8895 PRESSURE: 353200 133.82 -83.0045 -222.122 -83.0047 -197.687 275.879 -222.122 275.881 -236.582 GPRESSURE: 353200 185.224 -186.271 -179.895 -113.397 -191.522 192.648 -247.408 179.307 -191.507 PRESSAVG: 353200 -5.56218 5.31301 10.9249 5.31301 54.4928 50.5633 10.925 50.5633 -0.519577 GPRESSAVG: 353200 -5.85614 8.07469 11.471 2.3614 55.2068 52.3722 8.39795 50.4842 -1.10674 TIMING: 353200 CPU: 1112.05, 0.0031492/step Wall: 1112.05, 0.0031492/step, 4.06492 hours remaining, 231.597656 MB of memory in use. ENERGY: 353200 3979.6970 20416.3333 14415.3018 256.0697 -203017.6928 2140.8949 0.0000 0.0000 52022.3030 -109787.0930 298.9729 -161809.3961 -109426.7945 298.8128 -100.1494 -65.9349 760975.1432 16.1370 16.0813 PRESSURE: 353400 60.0066 -126.697 -15.9077 -126.697 -106.234 -129.738 -15.9076 -129.738 63.8755 GPRESSURE: 353400 67.6608 -76.7918 33.0435 -135.326 -82.8541 -268.784 -114.47 -125.156 129.767 PRESSAVG: 353400 -52.404 -43.4087 -16.867 -43.4088 6.791 58.5925 -16.867 58.5926 16.8844 GPRESSAVG: 353400 -51.8686 -43.8514 -15.5517 -42.921 6.47707 56.2852 -15.6207 56.5751 16.5636 TIMING: 353400 CPU: 1112.68, 0.0031359/step Wall: 1112.68, 0.0031359/step, 4.04758 hours remaining, 231.585938 MB of memory in use. ENERGY: 353400 3995.1367 20532.2791 14464.7744 227.2462 -203303.7330 2407.5621 0.0000 0.0000 51993.6524 -109683.0820 298.8082 -161676.7344 -109332.0812 298.7445 5.8827 38.1912 761265.7394 -9.5762 -9.6093 PRESSURE: 353600 83.2293 -153.707 161 -153.707 -33.4175 29.2621 160.999 29.2609 298.609 GPRESSURE: 353600 76.037 -113.241 185.854 -171.205 22.4035 28.6896 116.217 -12.8074 338.584 PRESSAVG: 353600 38.9964 -19.6633 36.7014 -19.6633 -38.9369 -34.2244 36.7015 -34.2243 -3.38787 GPRESSAVG: 353600 39.1626 -19.4626 37.6368 -20.2544 -39.7077 -33.5301 36.828 -31.7317 -2.7013 TIMING: 353600 CPU: 1113.3, 0.00313112/step Wall: 1113.3, 0.00313112/step, 4.04123 hours remaining, 231.597656 MB of memory in use. ENERGY: 353600 3885.8069 20582.1663 14459.1848 240.6438 -203395.9916 2566.4260 0.0000 0.0000 51800.7665 -109860.9973 297.6997 -161661.7637 -109501.8580 298.6170 116.1401 145.6750 760679.7996 -1.1094 -1.0821 PRESSURE: 353800 276.065 -107.206 222.777 -107.207 -27.4313 -67.2141 222.777 -67.2153 79.5504 GPRESSURE: 353800 271.855 -152.731 213.042 -114.589 85.5614 -29.1869 71.4627 -66.4209 60.6239 PRESSAVG: 353800 56.2077 -61.3433 40.2572 -61.3433 -51.8855 23.057 40.2572 23.057 13.0296 GPRESSAVG: 353800 54.6368 -63.5222 38.7246 -60.6739 -50.4456 23.2594 39.2817 22.9791 12.7102 TIMING: 353800 CPU: 1113.93, 0.00314072/step Wall: 1113.93, 0.00314072/step, 4.05345 hours remaining, 231.597656 MB of memory in use. ENERGY: 353800 3906.0772 20387.7537 14472.7500 237.6508 -203253.7735 2330.1158 0.0000 0.0000 51973.4347 -109945.9913 298.6920 -161919.4259 -109581.6775 298.5582 109.3946 139.3467 759977.2425 5.7839 5.6338 PRESSURE: 354000 182.641 9.99188 -113.543 9.99215 -144.604 -30.21 -113.544 -30.2096 -143.385 GPRESSURE: 354000 209.606 134.053 -115.659 -3.7895 -127.54 -59.3252 11.8437 69.943 -92.1099 PRESSAVG: 354000 34.222 -8.74127 11.7561 -8.74129 -23.5475 5.52905 11.7561 5.52903 -21.3143 GPRESSAVG: 354000 34.8369 -4.8769 12.3233 -8.03133 -24.158 6.4517 10.6375 4.07599 -21.5197 TIMING: 354000 CPU: 1114.56, 0.00315683/step Wall: 1114.56, 0.00315683/step, 4.07406 hours remaining, 231.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 354000 4035.7139 20573.3561 14481.5126 234.1229 -203681.6431 2553.5637 0.0000 0.0000 52171.1559 -109632.2179 299.8284 -161803.3739 -109278.8978 298.8454 -35.1161 -3.3480 760624.1817 -3.5466 -3.6136 PRESSURE: 354200 -109.198 -108.223 -150.068 -108.222 67.7688 25.2884 -150.067 25.2884 -270.28 GPRESSURE: 354200 -58.8562 -225.834 -133.714 -82.3979 131.104 55.4344 -107.769 35.7459 -290.655 PRESSAVG: 354200 35.5798 -22.1911 51.2119 -22.191 -33.7048 15.9467 51.212 15.9466 7.82519 GPRESSAVG: 354200 35.5098 -22.2023 50.8661 -23.8558 -33.5221 14.964 51.6186 19.1237 7.34978 TIMING: 354200 CPU: 1115.2, 0.00316726/step Wall: 1115.2, 0.00316726/step, 4.08735 hours remaining, 231.597656 MB of memory in use. ENERGY: 354200 4021.7790 20412.2370 14494.5139 231.3920 -203849.0030 2607.1073 0.0000 0.0000 52212.6173 -109869.3566 300.0666 -162081.9739 -109500.3538 299.0638 -103.9030 -72.8024 759664.6786 3.2334 3.1125 PRESSURE: 354400 -86.8966 -215.875 100.982 -215.875 -36.1732 236.966 100.982 236.965 180.381 GPRESSURE: 354400 -51.2719 -160.229 136.788 -117.463 43.9501 133.784 189.329 232.825 133.851 PRESSAVG: 354400 27.0102 -58.5525 5.60629 -58.5525 -13.3718 17.6505 5.60631 17.6505 -29.2008 GPRESSAVG: 354400 27.7597 -59.2989 5.43257 -59.1065 -13.9878 17.4297 6.25533 14.6113 -28.6085 TIMING: 354400 CPU: 1115.82, 0.00314886/step Wall: 1115.82, 0.00314886/step, 4.06343 hours remaining, 231.597656 MB of memory in use. ENERGY: 354400 4015.5393 20618.8338 14527.5671 256.2713 -203181.2599 2380.6758 0.0000 0.0000 51815.0384 -109567.3342 297.7817 -161382.3726 -109212.4283 299.4005 19.1036 42.1765 763093.1267 -5.1875 -4.9455 PRESSURE: 354600 -9.45618 -111.983 -142.002 -111.983 -153.459 251.395 -142.002 251.395 -182.393 GPRESSURE: 354600 46.5103 -153.662 -144.711 -104.49 -186.873 143.367 -141.256 270.412 -114.726 PRESSAVG: 354600 72.4836 -83.4437 31.3875 -83.4437 -37.5739 22.411 31.3876 22.4111 -0.188323 GPRESSAVG: 354600 71.3564 -83.8869 32.8426 -82.4935 -36.7844 23.4504 31.7666 20.9474 0.193058 TIMING: 354600 CPU: 1116.46, 0.00315316/step Wall: 1116.46, 0.00315315/step, 4.0688 hours remaining, 231.597656 MB of memory in use. ENERGY: 354600 4020.7597 20525.9519 14449.8292 263.4876 -203608.4095 2753.9857 0.0000 0.0000 51976.8354 -109617.5601 298.7116 -161594.3954 -109261.6490 299.6553 -115.1026 -85.0293 761807.4499 11.5738 11.5884 PRESSURE: 354800 -178.189 -69.9447 -15.308 -69.9451 25.1854 -250.05 -15.308 -250.05 307.249 GPRESSURE: 354800 -157.173 -33.6909 -15.8147 -43.9004 13.8728 -192.026 10.3813 -171.367 386.723 PRESSAVG: 354800 -40.8275 -1.06709 11.7074 -1.06709 34.9613 -1.41705 11.7075 -1.4171 6.01843 GPRESSAVG: 354800 -39.4743 -0.0563847 10.6622 -2.61386 33.5577 -1.93641 11.5891 0.235183 6.18961 TIMING: 354800 CPU: 1117.09, 0.00316004/step Wall: 1117.09, 0.00316004/step, 4.07751 hours remaining, 231.597656 MB of memory in use. ENERGY: 354800 3977.9304 20577.7351 14444.5858 248.4688 -203633.0501 2711.1518 0.0000 0.0000 51998.8770 -109674.3013 298.8383 -161673.1783 -109318.6402 298.9730 51.4153 81.1411 759586.1469 0.0507 0.0910 PRESSURE: 355000 -51.5315 -152.114 357.971 -152.114 243.246 -23.261 357.971 -23.26 58.6417 GPRESSURE: 355000 53.7562 -198.108 355.531 -135.597 271.78 1.16644 247.922 12.3775 32.7863 PRESSAVG: 355000 -44.7609 -42.9488 19.6346 -42.9488 15.3805 -58.9528 19.6346 -58.9528 7.41685 GPRESSAVG: 355000 -46.6966 -42.9737 19.1526 -40.7881 16.8547 -59.9627 21.8351 -56.8293 8.23955 TIMING: 355000 CPU: 1117.72, 0.00315104/step Wall: 1117.72, 0.00315104/step, 4.06572 hours remaining, 231.597656 MB of memory in use. ENERGY: 355000 4041.6991 20462.8072 14366.3408 242.5604 -203418.4633 2701.0844 0.0000 0.0000 52175.5556 -109428.4158 299.8536 -161603.9714 -109051.0254 299.3418 83.4519 119.4408 759860.7544 -7.3212 -7.2008 PRESSURE: 355200 -144.064 136.249 36.9053 136.249 -22.2717 -46.5175 36.906 -46.5184 219.585 GPRESSURE: 355200 -64.196 93.134 76.1656 197.331 27.7245 -22.4701 27.0979 -116.374 164.221 PRESSAVG: 355200 68.0662 -14.5178 1.15791 -14.5178 -5.51684 15.3142 1.15794 15.3142 -1.76863 GPRESSAVG: 355200 68.8703 -16.4924 1.90709 -13.8031 -5.88442 16.769 0.0981364 14.1219 -2.77318 TIMING: 355200 CPU: 1118.35, 0.00316242/step Wall: 1118.35, 0.00316242/step, 4.08023 hours remaining, 231.597656 MB of memory in use. ENERGY: 355200 4007.5059 20569.4833 14373.1453 254.8877 -203438.1920 2632.4009 0.0000 0.0000 52041.1748 -109559.5940 299.0813 -161600.7688 -109199.6365 299.8679 17.7497 42.5830 760410.7124 20.2602 20.0709 PRESSURE: 355400 -207.239 20.2853 29.3731 20.2854 -131.762 15.6635 29.3727 15.6636 -102.7 GPRESSURE: 355400 -120.047 3.10785 72.6711 21.7381 -123.038 23.7727 -6.16006 -37.1941 -109.356 PRESSAVG: 355400 7.20055 -14.3644 -8.63617 -14.3644 -21.8832 36.2218 -8.63622 36.2218 16.16 GPRESSAVG: 355400 7.23495 -14.1729 -8.75992 -13.6287 -21.5729 36.2232 -8.36876 35.363 16.0847 TIMING: 355400 CPU: 1118.98, 0.00317177/step Wall: 1118.98, 0.00317177/step, 4.09211 hours remaining, 231.597656 MB of memory in use. ENERGY: 355400 4033.9406 20453.0212 14435.7842 264.3449 -203202.7981 2548.5741 0.0000 0.0000 52062.7935 -109404.3395 299.2056 -161467.1330 -109045.6164 299.3496 -147.2338 -117.4803 760563.6144 0.4925 0.5823 PRESSURE: 355600 -211.994 137.182 2.06948 137.182 -100.578 1.43965 2.06952 1.43892 -46.7567 GPRESSURE: 355600 -175.116 38.647 55.0097 132.231 -66.0746 33.3833 -19.156 34.8745 -57.4621 PRESSAVG: 355600 77.988 2.79103 66.2547 2.79101 -29.3031 23.7661 66.2548 23.7661 -15.6414 GPRESSAVG: 355600 77.718 3.88635 66.447 0.06343 -27.9814 22.7281 66.219 24.8849 -16.0542 TIMING: 355600 CPU: 1119.61, 0.00314915/step Wall: 1119.61, 0.00314915/step, 4.06276 hours remaining, 231.597656 MB of memory in use. ENERGY: 355600 3952.6341 20626.1415 14399.2950 251.8804 -203375.1287 2520.6297 0.0000 0.0000 52088.9100 -109535.6379 299.3557 -161624.5480 -109171.3583 299.0446 -119.7759 -99.5508 761755.9813 11.0145 11.2275 PRESSURE: 355800 385.223 -215.724 13.4079 -215.724 52.1633 130.759 13.4072 130.759 295.688 GPRESSURE: 355800 385.146 -208.544 -26.4499 -175.327 57.4805 196.446 -41.291 12.8137 355.339 PRESSAVG: 355800 31.7084 -40.1716 47.5393 -40.1715 -39.4106 4.26591 47.5393 4.26582 9.9563 GPRESSAVG: 355800 32.9547 -40.1744 47.8168 -39.2388 -41.8591 4.047 46.2902 2.69801 10.8029 TIMING: 355800 CPU: 1120.25, 0.00315426/step Wall: 1120.25, 0.00315426/step, 4.06917 hours remaining, 231.597656 MB of memory in use. ENERGY: 355800 4082.7368 20585.2607 14514.7778 251.5684 -203492.8479 2541.2411 0.0000 0.0000 51912.5836 -109604.6796 298.3423 -161517.2631 -109251.8617 299.1273 244.3580 265.9882 759607.6121 0.7514 0.6328 PRESSURE: 356000 -295.328 -8.66613 -62.2609 -8.66559 -224.274 101.267 -62.2614 101.266 41.749 GPRESSURE: 356000 -292.073 68.9063 -81.4882 -74.4394 -213.055 165.002 -24.5095 52.1923 125.564 PRESSAVG: 356000 16.9658 -47.8482 16.0515 -47.8482 -23.879 -28.5313 16.0515 -28.5313 -2.25307 GPRESSAVG: 356000 15.8731 -46.9818 18.0956 -48.8906 -22.4633 -28.0556 15.6429 -25.4462 -2.55529 TIMING: 356000 CPU: 1120.88, 0.00315829/step Wall: 1120.88, 0.00315829/step, 4.0742 hours remaining, 231.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 4021.3611 20432.1566 14461.9406 252.1960 -202962.2454 2155.9114 0.0000 0.0000 52113.1897 -109525.4902 299.4952 -161638.6798 -109155.4324 299.3043 -159.2842 -126.5214 761121.5105 -3.0554 -3.0485 PRESSURE: 356200 250.635 -105.52 25.3083 -105.52 -134.212 77.5044 25.309 77.505 -46.6759 GPRESSURE: 356200 213.867 -208.76 85.8364 -83.2651 -32.8006 70.9752 -55.5891 46.956 11.1542 PRESSAVG: 356200 74.7618 4.33526 5.60136 4.33524 -68.2062 -7.43309 5.60134 -7.43312 -4.58148 GPRESSAVG: 356200 74.4448 3.95711 3.71786 4.29001 -66.9054 -8.58431 6.32267 -6.04965 -5.7161 TIMING: 356200 CPU: 1121.51, 0.00315633/step Wall: 1121.51, 0.00315632/step, 4.07148 hours remaining, 231.597656 MB of memory in use. ENERGY: 356200 3970.7776 20495.9168 14505.8564 262.1706 -203620.9039 2671.5306 0.0000 0.0000 52172.1766 -109542.4754 299.8342 -161714.6520 -109190.1014 299.2578 23.2490 64.0734 759722.3029 0.6580 0.6078 LDB: ============= START OF LOAD BALANCING ============== 1133.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1133.9 LDB: =============== DONE WITH MIGRATION ================ 1133.91 LDB: ============= START OF LOAD BALANCING ============== 1134.22 LDB: Largest compute 7027 load 0.031648 is 16.2% of average load 0.195698 LDB: Average compute 0.004354 is 2.2% of average load 0.195698 LDB: TIME 1134.23 LOAD: AVG 0.195698 MAX 0.220056 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.648 MB LDB: TIME 1134.23 LOAD: AVG 0.195698 MAX 0.220056 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: TIME 1134.23 LOAD: AVG 0.195698 MAX 0.220056 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1134.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1134.23 PRESSURE: 356400 -149.992 38.3625 -178.242 38.3626 -224.034 95.3644 -178.242 95.3652 246.056 GPRESSURE: 356400 -46.1949 -12.148 -126.42 52.0969 -194.762 23.8702 -95.6978 -23.1587 206.72 PRESSAVG: 356400 2.84525 1.60567 35.9264 1.60567 2.21398 4.10814 35.9264 4.10818 3.9115 GPRESSAVG: 356400 3.6567 -0.377122 36.0986 3.90544 1.11908 4.62063 37.6256 1.08771 4.56022 TIMING: 356400 CPU: 1122.15, 0.00321176/step Wall: 1122.15, 0.00321176/step, 4.14281 hours remaining, 233.664062 MB of memory in use. ENERGY: 356400 3949.4428 20300.1742 14499.3286 246.8936 -203265.9653 2593.6164 0.0000 0.0000 52288.8468 -109387.6629 300.5047 -161676.5097 -109008.4056 299.4933 -42.6567 -11.4123 761508.7838 2.9902 3.1120 PRESSURE: 356600 -141.38 -51.1892 -23.9542 -51.1899 -159.127 177.28 -23.954 177.28 -343.502 GPRESSURE: 356600 -121.531 -47.6753 109.235 -127.251 -121.094 84.1864 -110.392 233.16 -342.189 PRESSAVG: 356600 -4.73824 -8.05761 28.7748 -8.05766 11.5116 40.1478 28.7748 40.1478 -22.6319 GPRESSAVG: 356600 -4.47799 -4.94861 28.7285 -11.2485 12.0075 40.1147 30.044 40.9012 -23.3099 TIMING: 356600 CPU: 1122.78, 0.00317094/step Wall: 1122.78, 0.00317094/step, 4.08999 hours remaining, 233.664062 MB of memory in use. ENERGY: 356600 3959.7154 20622.5833 14488.2465 247.2775 -203040.9516 2342.6241 0.0000 0.0000 51837.8748 -109542.6299 297.9130 -161380.5047 -109180.5959 299.1601 -214.6694 -194.9380 762323.2975 -5.2862 -5.2601 PRESSURE: 356800 -267.977 308.493 124.103 308.494 167.263 9.70203 124.103 9.70153 332.33 GPRESSURE: 356800 -166.643 166.44 150.744 359.855 139.222 22.89 31.3132 -134.523 338.458 PRESSAVG: 356800 -10.6445 12.5522 16.8486 12.5521 23.1017 10.3191 16.8486 10.3192 20.8904 GPRESSAVG: 356800 -10.6677 9.80139 17.115 15.2074 22.5357 11.7217 15.5703 8.85683 21.4514 TIMING: 356800 CPU: 1123.41, 0.00314798/step Wall: 1123.41, 0.00314798/step, 4.0602 hours remaining, 233.734375 MB of memory in use. ENERGY: 356800 3878.8252 20442.3147 14440.5879 275.7340 -203344.7982 2632.6623 0.0000 0.0000 52235.8870 -109438.7871 300.2004 -161674.6742 -109066.2359 299.4302 77.2054 103.6791 761108.4680 11.1159 11.1065 PRESSURE: 357000 -288.325 -152.81 362.39 -152.811 -38.5446 -1.89045 362.39 -1.89019 -118.333 GPRESSURE: 357000 -177.91 15.9109 353.187 -112.163 -61.707 55.8769 325.874 -82.3331 -123.073 PRESSAVG: 357000 -49.4882 -43.2073 61.0953 -43.2074 37.328 4.16532 61.0953 4.16531 -0.917294 GPRESSAVG: 357000 -49.3071 -39.9382 59.4482 -44.7047 37.1916 2.18811 61.7825 4.93996 -1.0344 TIMING: 357000 CPU: 1124.04, 0.00314719/step Wall: 1124.04, 0.00314719/step, 4.059 hours remaining, 233.734375 MB of memory in use. ENERGY: 357000 3977.6322 20335.6199 14509.0752 230.1227 -203432.8019 2738.0452 0.0000 0.0000 52153.5778 -109488.7289 299.7273 -161642.3067 -109121.4347 299.7407 -148.4008 -120.8965 762986.9924 -4.3592 -4.3833 PRESSURE: 357200 -371.26 -8.18556 53.6769 -8.18559 -8.39098 117.976 53.6763 117.976 -33.1573 GPRESSURE: 357200 -306.608 -37.2464 12.4271 -24.291 20.4716 91.3183 52.9064 47.5125 -32.3315 PRESSAVG: 357200 -0.690905 -44.9132 -37.7605 -44.9133 8.39828 57.9669 -37.7605 57.9669 6.76526 GPRESSAVG: 357200 -0.975196 -48.7644 -37.1107 -44.056 8.22384 58.2565 -36.2387 57.4748 6.97938 TIMING: 357200 CPU: 1124.67, 0.00314496/step Wall: 1124.67, 0.00314495/step, 4.05594 hours remaining, 233.734375 MB of memory in use. ENERGY: 357200 3912.2737 20363.2150 14409.9990 227.7546 -203248.4292 2586.7461 0.0000 0.0000 52254.6937 -109493.7470 300.3084 -161748.4408 -109124.0397 299.5708 -137.6029 -106.1559 760846.0784 4.8242 4.7427 PRESSURE: 357400 -17.7352 78.9267 54.1245 78.9264 25.7526 136.63 54.1252 136.629 -307.03 GPRESSURE: 357400 146.053 -62.6835 139.538 16.403 -13.6131 114.341 106.899 126.312 -338.474 PRESSAVG: 357400 -53.7495 -19.9223 30.4169 -19.9224 33.7421 21.8692 30.4169 21.8692 -8.6801 GPRESSAVG: 357400 -54.6757 -18.9061 30.9303 -20.373 36.2093 22.8278 29.1397 23.462 -10.0245 TIMING: 357400 CPU: 1125.3, 0.00315092/step Wall: 1125.3, 0.00315092/step, 4.06346 hours remaining, 233.734375 MB of memory in use. ENERGY: 357400 3904.5855 20259.0289 14518.1525 244.0509 -203508.2905 2967.3317 0.0000 0.0000 52018.5355 -109596.6055 298.9512 -161615.1410 -109240.4427 298.9717 -99.6709 -68.6778 762836.2092 -9.5625 -9.4970 PRESSURE: 357600 -327.258 -2.59155 -186.555 -2.59276 -261.004 -160.617 -186.555 -160.618 38.6992 GPRESSURE: 357600 -335.897 16.563 -242.204 24.8884 -167.188 -151.193 -297.687 -55.8719 51.1773 PRESSAVG: 357600 -29.7251 26.1624 -13.9122 26.1624 -0.580803 3.30959 -13.9122 3.30955 12.0358 GPRESSAVG: 357600 -29.4092 25.7674 -14.8369 26.5843 -1.74807 1.94707 -13.5601 2.38592 12.8613 TIMING: 357600 CPU: 1125.93, 0.00315228/step Wall: 1125.93, 0.00315228/step, 4.06504 hours remaining, 233.734375 MB of memory in use. ENERGY: 357600 4011.5461 20390.7313 14523.3743 230.5866 -203164.8018 2466.3431 0.0000 0.0000 51800.1373 -109742.0832 297.6961 -161542.2205 -109382.3068 298.6410 -183.1877 -150.6359 762332.4695 -6.0900 -6.0987 PRESSURE: 357800 -49.7716 8.12837 86.4239 8.12791 287.276 -269.222 86.4248 -269.222 76.471 GPRESSURE: 357800 45.1135 51.4741 135.791 31.0818 298.51 -290.623 75.2576 -185.156 70.9731 PRESSAVG: 357800 -10.2622 -6.71759 -3.70674 -6.7175 16.9881 -14.4888 -3.70674 -14.4889 6.29007 GPRESSAVG: 357800 -10.038 -5.90056 -3.34018 -7.02442 16.1353 -15.05 -3.11533 -12.0285 7.06636 TIMING: 357800 CPU: 1126.56, 0.00315037/step Wall: 1126.56, 0.00315037/step, 4.06241 hours remaining, 233.734375 MB of memory in use. ENERGY: 357800 3951.7103 20205.0954 14467.8554 247.2810 -202684.4325 2201.2296 0.0000 0.0000 51927.2888 -109683.9720 298.4268 -161611.2608 -109318.3488 298.4740 104.6584 138.1989 761987.8441 4.3387 4.3879 PRESSURE: 358000 -153.293 36.9655 166.597 36.9656 29.8452 6.85068 166.596 6.85136 247.573 GPRESSURE: 358000 -121.662 -77.6572 188.667 64.6177 73.934 10.1857 87.6972 -31.9341 267.525 PRESSAVG: 358000 -1.80014 -47.098 39.6997 -47.0979 -25.0217 13.1772 39.6997 13.1772 11.2578 GPRESSAVG: 358000 -2.70614 -48.4985 40.4551 -45.1116 -24.4538 13.7088 38.8133 13.1827 11.6179 TIMING: 358000 CPU: 1127.19, 0.0031313/step Wall: 1127.19, 0.0031313/step, 4.03763 hours remaining, 233.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 358000 3950.7346 20328.5718 14411.8409 237.5395 -203194.3877 2638.7911 0.0000 0.0000 51943.5883 -109683.3215 298.5205 -161626.9098 -109327.1459 298.4663 41.3751 73.2656 762231.9126 -5.1880 -5.1807 PRESSURE: 358200 2.05604 -128.964 -37.796 -128.964 -176.458 -32.5741 -37.7963 -32.5739 -175.222 GPRESSURE: 358200 -14.2415 -7.36142 -37.8169 -95.4247 -76.103 -70.3599 -99.6878 -133.974 -158.972 PRESSAVG: 358200 18.8023 -36.0581 42.0351 -36.0582 -44.0442 4.18565 42.0351 4.18563 0.555306 GPRESSAVG: 358200 19.4542 -35.2728 40.2531 -37.5436 -44.5382 3.54178 39.5625 4.4098 0.758358 TIMING: 358200 CPU: 1127.82, 0.0031438/step Wall: 1127.82, 0.0031438/step, 4.05358 hours remaining, 233.734375 MB of memory in use. ENERGY: 358200 4006.1956 20327.0247 14418.2664 252.1296 -203172.9808 2533.1049 0.0000 0.0000 51960.6869 -109675.5728 298.6188 -161636.2597 -109320.5701 298.4961 -116.5412 -83.1056 761678.5003 -8.2289 -8.1086 PRESSURE: 358400 80.2849 -245.728 -228.286 -245.728 171.548 194.736 -228.286 194.736 -68.651 GPRESSURE: 358400 117.05 -209.824 -254.386 -82.9977 133.127 129.625 -103.138 163.689 26.0988 PRESSAVG: 358400 24.764 -29.1517 -9.35286 -29.1517 10.7531 5.0849 -9.35283 5.08478 -1.70439 GPRESSAVG: 358400 26.582 -30.6303 -7.44535 -29.3095 9.30896 6.63003 -7.27828 3.21086 -2.06597 TIMING: 358400 CPU: 1128.45, 0.00314232/step Wall: 1128.45, 0.00314232/step, 4.0515 hours remaining, 233.734375 MB of memory in use. ENERGY: 358400 4030.9258 20476.9857 14462.4352 234.4997 -203268.1364 2668.1740 0.0000 0.0000 51790.5328 -109604.5832 297.6409 -161395.1160 -109243.8082 298.6143 61.0605 92.0921 762250.4059 11.2709 11.2750 PRESSURE: 358600 -211.111 -205.502 212.894 -205.501 -364.947 -24.2672 212.893 -24.2668 -188.632 GPRESSURE: 358600 -269.807 -89.6579 209.611 -263.16 -241.341 136.509 170.206 46.3768 -165.113 PRESSAVG: 358600 -36.9672 -17.4077 -9.03175 -17.4078 16.8773 21.3092 -9.03177 21.3092 -1.74991 GPRESSAVG: 358600 -38.2801 -14.3216 -9.64329 -18.0563 18.066 21.9475 -10.4674 19.3852 -2.15465 TIMING: 358600 CPU: 1129.07, 0.00313871/step Wall: 1129.07, 0.00313871/step, 4.04666 hours remaining, 233.734375 MB of memory in use. ENERGY: 358600 4023.8284 20420.5033 14376.6777 246.1704 -202931.9709 2350.7430 0.0000 0.0000 52021.1207 -109492.9275 298.9661 -161514.0481 -109127.4424 299.0502 -254.8968 -225.4206 760625.4769 -7.2800 -7.4562 PRESSURE: 358800 336.813 -87.5033 -194.032 -87.5029 -31.8965 0.0770988 -194.033 0.0771855 26.1071 GPRESSURE: 358800 358.351 -33.8669 -247.991 -73.3433 5.84327 -4.42444 -103.038 -13.1318 73.1969 PRESSAVG: 358800 13.3529 -56.8301 -52.6898 -56.8301 43.6808 12.0175 -52.6898 12.0174 9.00546 GPRESSAVG: 358800 14.0285 -57.6 -52.4632 -57.8858 43.7821 10.4617 -50.355 14.0112 8.35736 TIMING: 358800 CPU: 1129.71, 0.00315372/step Wall: 1129.71, 0.00315372/step, 4.06585 hours remaining, 233.734375 MB of memory in use. ENERGY: 358800 3929.5638 20313.3924 14474.4231 229.2914 -202953.4575 2364.0022 0.0000 0.0000 52275.2912 -109367.4934 300.4268 -161642.7846 -108999.4443 299.5320 110.3413 145.7969 759382.6856 22.0131 22.0560 PRESSURE: 359000 -147.844 -40.9662 58.1693 -40.9668 52.9045 -17.3594 58.1695 -17.3603 -43.7157 GPRESSURE: 359000 -116.528 -10.1354 136.813 -1.3219 60.7024 7.94131 -36.1073 93.2518 -16.6377 PRESSAVG: 359000 -44.6144 -14.565 -16.4857 -14.565 39.3312 47.6373 -16.4857 47.6373 -11.6888 GPRESSAVG: 359000 -45.238 -13.746 -16.2523 -12.7479 39.7905 48.7228 -17.3715 48.328 -11.373 TIMING: 359000 CPU: 1130.34, 0.00315876/step Wall: 1130.34, 0.00315876/step, 4.07217 hours remaining, 233.800781 MB of memory in use. ENERGY: 359000 3904.7133 20600.5809 14442.3148 252.7756 -203148.9261 2310.2999 0.0000 0.0000 52005.3486 -109632.8931 298.8755 -161638.2418 -109277.3561 299.6870 -46.2185 -24.1545 759634.9542 -5.6573 -5.6068 PRESSURE: 359200 239.005 -166.763 312.377 -166.763 -197.029 -144.02 312.377 -144.02 237.826 GPRESSURE: 359200 271.194 -189.963 310.34 -146.961 -167.094 -72.257 288.936 -240.139 253.729 PRESSAVG: 359200 -44.0982 -14.6713 -5.85295 -14.6712 24.1038 12.1176 -5.85299 12.1176 -2.30285 GPRESSAVG: 359200 -45.646 -16.9025 -6.88115 -16.279 23.9413 11.1599 -5.97317 12.07 -0.86539 TIMING: 359200 CPU: 1130.97, 0.00314479/step Wall: 1130.97, 0.00314479/step, 4.05399 hours remaining, 233.800781 MB of memory in use. ENERGY: 359200 3989.1681 20534.9509 14448.5912 236.8561 -203387.7997 2433.2945 0.0000 0.0000 52354.0478 -109390.8910 300.8794 -161744.9389 -109024.0694 299.6048 93.2673 119.2766 759352.8094 -7.4324 -7.5234 PRESSURE: 359400 77.3125 -191.828 -143.313 -191.827 25.7008 134.674 -143.313 134.674 -190.124 GPRESSURE: 359400 91.6841 -227.432 -77.6752 -253.822 83.9058 133.736 -112.617 131.885 -181.939 PRESSAVG: 359400 8.55813 -59.5136 -5.8354 -59.5135 42.633 -9.18183 -5.83548 -9.18185 -2.34673 GPRESSAVG: 359400 9.71333 -58.527 -3.89073 -59.1958 41.9651 -8.4098 -6.02234 -9.51863 -3.04106 TIMING: 359400 CPU: 1131.6, 0.0031607/step Wall: 1131.6, 0.0031607/step, 4.07432 hours remaining, 233.789062 MB of memory in use. ENERGY: 359400 3962.7831 20518.1193 14413.8447 231.5097 -203189.2297 2318.1597 0.0000 0.0000 52318.4459 -109426.3672 300.6748 -161744.8130 -109058.3907 299.8303 -29.0368 -2.1162 759521.7723 16.2815 16.2125 PRESSURE: 359600 -370.219 -85.7725 51.8097 -85.7729 -320.871 168.702 51.809 168.702 34.1749 GPRESSURE: 359600 -311.916 -47.3462 123.75 -144.086 -239.328 150.23 63.2452 125.832 -20.0379 PRESSAVG: 359600 -69.7624 -75.7152 -21.9732 -75.7152 27.6179 9.69913 -21.9732 9.69909 20.0599 GPRESSAVG: 359600 -69.3022 -75.745 -21.5284 -74.8505 27.7598 8.76 -23.025 9.50983 19.4876 TIMING: 359600 CPU: 1132.23, 0.00316155/step Wall: 1132.23, 0.00316155/step, 4.07524 hours remaining, 233.800781 MB of memory in use. ENERGY: 359600 3997.9696 20547.2139 14438.0939 243.4265 -203229.8616 2386.6966 0.0000 0.0000 52095.5295 -109520.9315 299.3937 -161616.4610 -109158.0399 299.3684 -218.9717 -190.4272 759862.8917 -7.3616 -7.3516 PRESSURE: 359800 -208.943 -205.308 -149.702 -205.308 -280.725 -190.021 -149.702 -190.021 -362.045 GPRESSURE: 359800 -206.941 -181.742 -143.261 -311.661 -297.962 -183.012 -247.369 -233.942 -239.785 PRESSAVG: 359800 -62.5147 -42.9977 11.8755 -42.9977 78.7724 21.4943 11.8755 21.4942 -28.4738 GPRESSAVG: 359800 -63.1882 -44.4124 10.8705 -43.0752 80.4595 22.3436 12.0474 20.4107 -29.681 TIMING: 359800 CPU: 1132.86, 0.00314497/step Wall: 1132.86, 0.00314497/step, 4.0537 hours remaining, 233.800781 MB of memory in use. ENERGY: 359800 3895.3539 20509.7273 14409.9114 250.2939 -202881.1349 2108.3357 0.0000 0.0000 51986.8329 -109720.6799 298.7690 -161707.5128 -109345.8676 299.5590 -283.9040 -248.2293 761749.7438 -4.0720 -4.1366 PRESSURE: 360000 14.9122 56.7435 -153.024 56.7438 -79.0518 100.544 -153.024 100.543 -458.297 GPRESSURE: 360000 92.9754 84.0362 -107.235 -31.4362 -147.473 89.894 -13.3975 56.8788 -371.741 PRESSAVG: 360000 -27.5189 -5.09235 -9.52624 -5.09236 -29.2279 14.7375 -9.52626 14.7375 20.6311 GPRESSAVG: 360000 -27.1475 -3.07273 -7.83466 -6.13439 -30.0113 13.7503 -10.32 15.1776 21.0966 TIMING: 360000 CPU: 1133.49, 0.00316166/step Wall: 1133.49, 0.00316166/step, 4.07503 hours remaining, 233.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 360000 3959.5461 20303.7180 14482.4603 256.7599 -203195.1022 2404.4894 0.0000 0.0000 52192.9539 -109595.1746 299.9536 -161788.1285 -109228.4402 299.0044 -174.1457 -142.0792 760752.1313 -12.0386 -12.0207 PRESSURE: 360200 -263.248 -126.144 -5.3409 -126.145 143.374 -63.9007 -5.3415 -63.9011 219.947 GPRESSURE: 360200 -152.211 -123.205 10.2758 -141.035 206.972 -77.5404 -26.5113 -30.3243 150.644 PRESSAVG: 360200 -1.76549 -72.7645 -0.19104 -72.7645 6.23897 63.9661 -0.191066 63.9661 -10.9219 GPRESSAVG: 360200 -1.15043 -71.8467 -1.61934 -72.7073 6.81622 65.5062 1.95618 64.0546 -11.9499 TIMING: 360200 CPU: 1134.12, 0.003157/step Wall: 1134.12, 0.003157/step, 4.06885 hours remaining, 233.800781 MB of memory in use. ENERGY: 360200 4044.9483 20322.7527 14463.5376 255.6257 -203186.5131 2446.2484 0.0000 0.0000 51909.4643 -109743.9362 298.3244 -161653.4005 -109378.5766 298.9506 33.3575 68.4685 760817.2560 -2.1495 -2.0947 LDB: ============= START OF LOAD BALANCING ============== 1146.52 LDB: ============== END OF LOAD BALANCING =============== 1146.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1146.52 LDB: ============= START OF LOAD BALANCING ============== 1146.84 LDB: Largest compute 7027 load 0.032706 is 16.7% of average load 0.195596 LDB: Average compute 0.004364 is 2.2% of average load 0.195596 LDB: TIME 1146.84 LOAD: AVG 0.195596 MAX 0.216034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.953 MB LDB: TIME 1146.84 LOAD: AVG 0.195596 MAX 0.216034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: TIME 1146.85 LOAD: AVG 0.195596 MAX 0.216034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1146.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1146.85 PRESSURE: 360400 277.552 179.286 77.4546 179.286 -381.225 24.0377 77.4543 24.0384 125.095 GPRESSURE: 360400 312.694 210.385 70.9712 115.875 -322.14 0.0305496 17.155 18.4937 111.231 PRESSAVG: 360400 8.79577 -49.5946 -15.6251 -49.5947 -32.3011 9.25869 -15.6251 9.25868 3.70954 GPRESSAVG: 360400 7.85237 -50.6941 -15.685 -48.5735 -33.3628 7.23448 -16.913 11.0728 5.78557 TIMING: 360400 CPU: 1134.77, 0.00322868/step Wall: 1134.77, 0.00322868/step, 4.16105 hours remaining, 231.628906 MB of memory in use. ENERGY: 360400 4030.3759 20506.4149 14459.9119 228.6115 -203623.9209 2594.1062 0.0000 0.0000 52177.1769 -109627.3236 299.8630 -161804.5005 -109259.8848 299.2842 7.1409 33.9283 760414.9639 -6.5986 -6.5750 PRESSURE: 360600 -286.276 -166.181 3.72927 -166.181 -250.931 44.8962 3.72927 44.8969 32.1927 GPRESSURE: 360600 -296.709 -222.529 29.8403 -86.0856 -156.997 42.9638 -100.051 -70.2748 17.2228 PRESSAVG: 360600 64.0184 -20.5532 37.3916 -20.5532 -40.6349 2.98511 37.3916 2.98519 7.2658 GPRESSAVG: 360600 64.2702 -21.3043 35.5037 -19.482 -41.3701 3.70825 38.6142 0.985307 6.98316 TIMING: 360600 CPU: 1135.4, 0.00315994/step Wall: 1135.4, 0.00315994/step, 4.07228 hours remaining, 231.652344 MB of memory in use. ENERGY: 360600 3995.6292 20620.6755 14490.8669 260.5648 -203089.7207 2190.0817 0.0000 0.0000 51851.7847 -109680.1179 297.9929 -161531.9026 -109321.3882 298.9351 -168.3380 -145.4943 761031.4871 10.2164 9.9611 PRESSURE: 360800 254.017 -277.659 -68.3089 -277.659 116.273 43.6568 -68.3085 43.6578 80.5755 GPRESSURE: 360800 361.418 -144.377 -111.511 -224.05 115.743 -12.7724 53.0529 -20.4047 69.0325 PRESSAVG: 360800 2.42058 -78.5414 7.1537 -78.5415 65.1248 11.3713 7.15365 11.3714 24.9213 GPRESSAVG: 360800 1.57013 -77.4856 7.66915 -77.0852 66.2937 12.3449 5.70033 10.5776 24.2874 TIMING: 360800 CPU: 1136.04, 0.00317488/step Wall: 1136.04, 0.00317488/step, 4.09137 hours remaining, 231.652344 MB of memory in use. ENERGY: 360800 3912.9373 20497.4346 14483.8251 282.4921 -203668.5931 2634.3515 0.0000 0.0000 52015.9455 -109841.6070 298.9364 -161857.5525 -109475.7532 298.8253 150.2886 182.0646 760427.0105 30.8222 30.7171 PRESSURE: 361000 -203.436 -245.809 69.1413 -245.81 23.6178 -267.241 69.1404 -267.241 137.29 GPRESSURE: 361000 -132.73 -242.245 60.9606 -201.008 47.3822 -248.842 43.4921 -58.2397 144.711 PRESSAVG: 361000 12.5628 -82.4141 37.1169 -82.4141 -32.1327 -29.3445 37.1169 -29.3445 -7.51108 GPRESSAVG: 361000 12.9329 -84.0972 36.4137 -83.3963 -31.6872 -30.6341 40.5048 -27.7404 -7.91265 TIMING: 361000 CPU: 1136.67, 0.00315332/step Wall: 1136.67, 0.00315332/step, 4.0634 hours remaining, 231.890625 MB of memory in use. ENERGY: 361000 3960.0991 20375.6145 14414.5522 241.1522 -203622.9692 2875.3042 0.0000 0.0000 51878.1550 -109878.0922 298.1445 -161756.2472 -109507.0556 298.7934 -14.1761 19.7879 762286.7759 -9.0270 -8.8890 PRESSURE: 361200 -1.21984 -174.011 -166.834 -174.012 79.9448 131.197 -166.835 131.197 -309.484 GPRESSURE: 361200 72.1945 -218.973 -203.123 -8.17327 92.0297 184.211 -69.9929 -88.4306 -309.898 PRESSAVG: 361200 29.7841 -5.95154 -17.4021 -5.95154 -13.7723 26.5722 -17.4022 26.5722 3.15543 GPRESSAVG: 361200 28.9182 -3.81975 -15.4103 -6.73415 -12.7963 26.134 -18.8462 25.952 2.69824 TIMING: 361200 CPU: 1137.3, 0.00315287/step Wall: 1137.3, 0.00315287/step, 4.06264 hours remaining, 231.890625 MB of memory in use. ENERGY: 361200 4011.8942 20465.8259 14482.3726 255.6187 -203830.2225 2698.4596 0.0000 0.0000 52128.0819 -109787.9696 299.5808 -161916.0515 -109428.3857 298.4460 -76.9195 -48.5581 760108.9652 6.3891 6.2734 PRESSURE: 361400 375.228 6.74177 -122.228 6.74133 -32.3923 61.9824 -122.227 61.9828 9.38499 GPRESSURE: 361400 459.327 -157.732 -120.94 111.744 -73.9472 52.248 -119.295 10.0403 25.7846 PRESSAVG: 361400 -27.6841 -56.2513 -19.3643 -56.2513 26.8653 15.9828 -19.3643 15.9827 -17.0542 GPRESSAVG: 361400 -25.4199 -58.249 -20.3051 -56.4398 24.7178 16.3383 -20.71 14.1721 -17.6419 TIMING: 361400 CPU: 1137.93, 0.00314941/step Wall: 1137.93, 0.00314941/step, 4.05801 hours remaining, 231.890625 MB of memory in use. ENERGY: 361400 4022.8175 20550.4983 14489.8783 268.3998 -203762.1820 2634.2140 0.0000 0.0000 52112.2668 -109684.1072 299.4899 -161796.3740 -109312.9360 298.8751 117.4069 137.0549 761040.2071 -5.9577 -6.1147 PRESSURE: 361600 -97.408 -21.6568 -262.392 -21.6567 252.212 -65.9205 -262.392 -65.9199 -159.566 GPRESSURE: 361600 -41.8963 114.646 -225.681 -26.4712 275.514 -13.9325 -250.672 -8.67095 -140.767 PRESSAVG: 361600 -12.8429 -0.460291 -52.6609 -0.460317 -6.34133 9.96935 -52.6609 9.96927 -12.2299 GPRESSAVG: 361600 -14.536 1.39363 -51.0526 -0.329789 -6.49094 11.3027 -51.9011 12.4965 -10.3863 TIMING: 361600 CPU: 1138.56, 0.00316032/step Wall: 1138.56, 0.00316032/step, 4.07189 hours remaining, 231.890625 MB of memory in use. ENERGY: 361600 4014.0751 20466.6796 14465.1040 239.6978 -203444.4092 2594.9233 0.0000 0.0000 51924.9383 -109738.9910 298.4133 -161663.9293 -109372.7732 298.9895 -1.5872 30.9503 760712.0638 -10.4714 -10.4711 PRESSURE: 361800 -178.553 -9.06527 0.43763 -9.06511 56.4067 -193.469 0.43796 -193.47 -90.8412 GPRESSURE: 361800 -79.0836 39.6057 -0.638714 -26.7734 173.393 -277.54 83.403 -134.968 -212.947 PRESSAVG: 361800 4.85536 -34.4971 38.8333 -34.4971 -0.0458924 31.9688 38.8334 31.9687 22.3213 GPRESSAVG: 361800 5.3026 -34.8622 36.6628 -34.168 1.07239 31.1007 39.0691 30.5261 20.8647 TIMING: 361800 CPU: 1139.19, 0.0031419/step Wall: 1139.19, 0.0031419/step, 4.04799 hours remaining, 231.890625 MB of memory in use. ENERGY: 361800 3998.9369 20560.1429 14418.7383 254.7347 -203529.2654 2480.6077 0.0000 0.0000 52012.1853 -109803.9195 298.9147 -161816.1048 -109437.7481 298.5976 -70.9960 -39.5460 760517.1390 9.0436 9.0799 PRESSURE: 362000 16.7932 202.221 -172.96 202.22 286.512 112.8 -172.959 112.8 475.776 GPRESSURE: 362000 56.8861 139.164 -134.383 165.604 294.109 120.9 -163.343 177.315 517.313 PRESSAVG: 362000 5.49122 14.354 -17.1798 14.3541 -2.20293 9.63815 -17.1797 9.63818 10.8259 GPRESSAVG: 362000 5.31638 14.5112 -16.7576 13.9935 -2.40216 10.9188 -16.4569 9.88442 10.9511 TIMING: 362000 CPU: 1139.81, 0.00312421/step Wall: 1139.81, 0.00312421/step, 4.02503 hours remaining, 231.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 362000 3924.9494 20585.0643 14425.7875 250.6564 -203725.3654 2719.4153 0.0000 0.0000 51895.4883 -109924.0042 298.2441 -161819.4925 -109565.1039 298.5392 259.6936 289.4360 758305.2992 4.7047 4.6218 PRESSURE: 362200 476.396 52.6692 49.8955 52.6701 -92.6902 125.78 49.8957 125.78 93.8693 GPRESSURE: 362200 399.337 92.9149 39.5823 0.577539 -9.39346 194.005 70.7622 145.583 198.132 PRESSAVG: 362200 -81.2692 2.1129 12.2962 2.1129 61.8659 41.7454 12.2962 41.7453 -5.24776 GPRESSAVG: 362200 -81.0865 6.41208 15.5246 -0.386521 61.4518 40.664 11.1395 41.7797 -4.51751 TIMING: 362200 CPU: 1140.44, 0.00311932/step Wall: 1140.44, 0.00311932/step, 4.01856 hours remaining, 231.890625 MB of memory in use. ENERGY: 362200 3985.6951 20545.2631 14440.9199 243.8825 -203258.5641 2298.3490 0.0000 0.0000 52038.1582 -109706.2963 299.0640 -161744.4545 -109347.0591 299.0438 159.1916 196.0251 758921.9507 -8.2170 -8.0507 PRESSURE: 362400 -198.416 -148.681 29.822 -148.682 -0.723751 -81.9863 29.8213 -81.9865 254.184 GPRESSURE: 362400 -143.963 -207.773 -106.064 -118.552 59.9124 -151.47 152.215 -98.7903 217.93 PRESSAVG: 362400 -5.35107 -38.9413 5.48976 -38.9413 20.4037 -28.8147 5.48974 -28.8147 30.9737 GPRESSAVG: 362400 -6.35417 -43.8125 5.03324 -35.1224 21.7111 -29.3309 3.66663 -27.1772 30.3354 TIMING: 362400 CPU: 1141.06, 0.00312233/step Wall: 1141.06, 0.00312233/step, 4.02226 hours remaining, 231.890625 MB of memory in use. ENERGY: 362400 4002.7023 20422.1066 14493.0696 241.9756 -203639.2541 2796.5158 0.0000 0.0000 51928.4233 -109754.4609 298.4334 -161682.8842 -109390.3752 299.0909 18.3479 44.6265 759363.6787 15.3421 15.2308 PRESSURE: 362600 -109.565 23.8192 -213.569 23.8193 236.868 196.977 -213.568 196.977 -186.338 GPRESSURE: 362600 31.0986 -32.1382 -181.036 55.6345 194.678 191.974 -150.152 140.705 -208.624 PRESSAVG: 362600 18.8255 -33.8822 -3.96711 -33.8823 -87.3666 15.3264 -3.96709 15.3264 3.96256 GPRESSAVG: 362600 19.977 -32.2959 -4.47103 -34.517 -89.6791 15.6958 -3.31283 13.1418 4.67087 TIMING: 362600 CPU: 1141.69, 0.00313395/step Wall: 1141.69, 0.00313395/step, 4.03705 hours remaining, 231.890625 MB of memory in use. ENERGY: 362600 3978.9638 20405.8034 14407.7297 247.2464 -203445.2017 2565.9866 0.0000 0.0000 52043.1900 -109796.2819 299.0929 -161839.4718 -109428.5051 298.9930 -19.6784 5.7176 758635.1012 -21.5262 -21.6771 PRESSURE: 362800 -214.345 -156.775 -87.7224 -156.774 -419.882 273.857 -87.7218 273.858 -341.684 GPRESSURE: 362800 -189.465 -134.454 -148.151 -109.044 -399.564 248.221 -129.398 166.569 -307.723 PRESSAVG: 362800 41.2171 -68.8552 -60.1281 -68.8551 -21.8846 41.1737 -60.1281 41.1736 14.7581 GPRESSAVG: 362800 40.4683 -68.0952 -59.876 -70.1104 -20.2336 40.5566 -60.1437 40.531 14.5816 TIMING: 362800 CPU: 1142.32, 0.00314098/step Wall: 1142.32, 0.00314098/step, 4.04593 hours remaining, 231.890625 MB of memory in use. ENERGY: 362800 4021.6959 20635.5352 14412.3691 236.0842 -203300.9948 2261.4036 0.0000 0.0000 52033.5509 -109700.3559 299.0375 -161733.9068 -109341.6877 299.1630 -325.3039 -298.9173 759550.0350 11.3635 11.6054 PRESSURE: 363000 85.7888 105.37 159.557 105.368 -215.997 -48.4662 159.557 -48.4662 81.3019 GPRESSURE: 363000 -5.93407 173.897 138.26 -17.704 -66.7985 -87.1751 302.247 76.5774 116.334 PRESSAVG: 363000 -17.7054 -64.3066 -1.79799 -64.3065 30.2934 27.5692 -1.79795 27.5692 4.10005 GPRESSAVG: 363000 -17.8209 -65.8748 -2.69179 -65.2716 30.923 28.3486 -1.28558 28.2881 3.52922 TIMING: 363000 CPU: 1142.94, 0.00314328/step Wall: 1142.94, 0.00314328/step, 4.04871 hours remaining, 231.890625 MB of memory in use. ENERGY: 363000 4021.1787 20557.1613 14471.8377 237.0241 -203717.6210 2529.9224 0.0000 0.0000 52226.7027 -109673.7940 300.1476 -161900.4967 -109315.0640 299.4229 -16.3021 14.5339 758415.8591 5.5627 5.5438 PRESSURE: 363200 -526.117 -106.396 72.9457 -106.396 -57.9875 79.2104 72.9454 79.2096 -92.9428 GPRESSURE: 363200 -402.401 -48.9113 86.3194 -57.366 -110.57 140.471 65.499 92.7973 -78.1691 PRESSAVG: 363200 3.20773 -33.1164 -58.3839 -33.1164 22.834 -2.60212 -58.3839 -2.60215 -13.5183 GPRESSAVG: 363200 3.70599 -30.2007 -58.4497 -33.4516 21.9745 -2.16821 -56.3949 -2.23244 -13.4833 TIMING: 363200 CPU: 1143.57, 0.00314076/step Wall: 1143.57, 0.00314076/step, 4.04529 hours remaining, 232.109375 MB of memory in use. ENERGY: 363200 3983.6463 20694.5468 14473.5901 237.6099 -203508.5489 2539.9261 0.0000 0.0000 52021.2013 -109558.0285 298.9666 -161579.2298 -109201.6076 299.2503 -225.6824 -197.0464 760760.9630 4.1745 4.0658 PRESSURE: 363400 -167.218 135.155 151.96 135.156 -40.8729 -14.0573 151.96 -14.0574 348.121 GPRESSURE: 363400 -110.859 100.715 109.553 49.5482 -37.3504 -59.8124 103.61 118.775 375.972 PRESSAVG: 363400 7.47854 -18.6014 41.564 -18.6014 -30.0034 -11.8969 41.5641 -11.8969 11.7625 GPRESSAVG: 363400 7.26489 -20.9575 41.3524 -17.7476 -30.4993 -13.5366 38.8465 -8.9918 12.1846 TIMING: 363400 CPU: 1144.2, 0.00313727/step Wall: 1144.2, 0.00313727/step, 4.04063 hours remaining, 232.109375 MB of memory in use. ENERGY: 363400 3979.3934 20502.9287 14499.8470 253.1963 -203386.8703 2509.0677 0.0000 0.0000 52011.3188 -109631.1184 298.9098 -161642.4372 -109259.7336 299.1600 46.6768 75.9206 760182.5132 -3.5875 -3.6833 PRESSURE: 363600 -161.424 298.17 -64.9713 298.17 97.4967 -22.0591 -64.9706 -22.0589 312.204 GPRESSURE: 363600 -70.2463 165.779 -38.4675 204.904 119.467 63.4664 -25.9846 53.899 286.602 PRESSAVG: 363600 -29.2938 -50.4959 21.7112 -50.4959 -7.57046 -2.26125 21.7112 -2.26124 22.4991 GPRESSAVG: 363600 -29.4495 -49.858 21.6823 -52.3863 -6.89643 0.129637 20.5985 -5.65684 22.5552 TIMING: 363600 CPU: 1144.83, 0.00313353/step Wall: 1144.83, 0.00313353/step, 4.03563 hours remaining, 232.109375 MB of memory in use. ENERGY: 363600 3909.3997 20573.3776 14527.3816 263.6304 -203932.2486 2666.3248 0.0000 0.0000 52310.6173 -109681.5171 300.6298 -161992.1344 -109313.6748 299.0767 82.7588 111.9408 759870.8855 -4.7884 -4.5969 PRESSURE: 363800 26.8287 113.912 -96.629 113.912 200.469 -175.955 -96.6278 -175.956 -9.647 GPRESSURE: 363800 124.759 37.5017 -3.88157 -10.6929 234.113 -209.216 -50.9734 -280.224 -58.8314 PRESSAVG: 363800 -11.2384 -10.6666 22.8763 -10.6666 7.75958 -9.74068 22.8763 -9.74066 -10.6978 GPRESSAVG: 363800 -11.2581 -10.8007 22.007 -10.2711 8.1972 -9.2425 23.9938 -10.742 -10.8612 TIMING: 363800 CPU: 1145.46, 0.00314431/step Wall: 1145.46, 0.00314431/step, 4.04935 hours remaining, 232.109375 MB of memory in use. ENERGY: 363800 3934.3475 20429.9704 14560.6445 233.0081 -203686.5979 2535.1858 0.0000 0.0000 52188.3190 -109805.1226 299.9270 -161993.4416 -109448.5319 299.0362 72.5502 100.0138 759006.9522 -4.7255 -4.6407 PRESSURE: 364000 272.651 -174.113 -96.9662 -174.112 116.615 -75.7302 -96.9656 -75.7304 -116.423 GPRESSURE: 364000 344.667 -176.218 -119.391 -28.431 60.2027 -38.929 -84.3313 30.1306 -31.5094 PRESSAVG: 364000 29.4978 -77.4131 5.37284 -77.4131 -8.91039 19.3801 5.37283 19.3802 9.95033 GPRESSAVG: 364000 30.3837 -77.4557 6.81085 -76.0369 -10.0719 19.3637 4.89446 21.0686 10.8655 TIMING: 364000 CPU: 1146.09, 0.00314824/step Wall: 1146.09, 0.00314824/step, 4.05424 hours remaining, 232.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 364000 3945.3805 20567.1918 14455.2385 254.2587 -203894.2263 2571.4723 0.0000 0.0000 52127.2619 -109973.4226 299.5761 -162100.6845 -109608.7919 299.1445 90.9476 124.4534 757886.2307 10.1793 10.3924 PRESSURE: 364200 8.40372 -43.2903 125.885 -43.2903 -119.023 294.322 125.885 294.322 354.104 GPRESSURE: 364200 51.6208 -60.975 86.8096 -112.56 -88.0546 291.344 247.879 268.469 353.646 PRESSAVG: 364200 50.0022 -62.1695 3.00603 -62.1695 4.5267 -13.1092 3.00597 -13.1091 -11.2242 GPRESSAVG: 364200 49.5547 -61.6949 2.15367 -62.8013 6.06548 -14.6144 2.854 -13.1752 -12.2367 TIMING: 364200 CPU: 1146.71, 0.00313658/step Wall: 1146.71, 0.00313658/step, 4.03905 hours remaining, 232.109375 MB of memory in use. ENERGY: 364200 3944.9069 20589.9634 14476.8245 261.9908 -203481.3770 2282.7980 0.0000 0.0000 51822.4356 -110102.4579 297.8242 -161924.8935 -109744.2831 298.0619 81.1616 105.7375 758053.4288 14.4349 14.4612 LDB: ============= START OF LOAD BALANCING ============== 1159.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1159.11 LDB: =============== DONE WITH MIGRATION ================ 1159.11 LDB: ============= START OF LOAD BALANCING ============== 1159.42 LDB: Largest compute 7067 load 0.030988 is 15.8% of average load 0.195676 LDB: Average compute 0.004383 is 2.2% of average load 0.195676 LDB: TIME 1159.43 LOAD: AVG 0.195676 MAX 0.219847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.395 MB LDB: TIME 1159.43 LOAD: AVG 0.195676 MAX 0.219847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.598 MB LDB: TIME 1159.43 LOAD: AVG 0.195676 MAX 0.219847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1159.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1159.43 PRESSURE: 364400 -155.626 -34.0583 -150.414 -34.0582 -111.751 32.4517 -150.414 32.4527 -47.3972 GPRESSURE: 364400 -102.98 -14.3785 -121.728 -13.6531 -45.0886 -2.2581 3.96223 38.1355 -82.6109 PRESSAVG: 364400 29.4709 -59.453 -1.39046 -59.4529 -44.4494 9.92015 -1.39042 9.92017 -2.48373 GPRESSAVG: 364400 28.8344 -61.1349 0.0579478 -57.1002 -45.2078 9.27188 -0.667763 9.86804 -1.18869 TIMING: 364400 CPU: 1147.35, 0.00319523/step Wall: 1147.35, 0.00319523/step, 4.11439 hours remaining, 232.082031 MB of memory in use. ENERGY: 364400 3986.6971 20541.5782 14407.8825 262.4421 -203508.5930 2334.7784 0.0000 0.0000 52165.0985 -109810.1161 299.7935 -161975.2147 -109448.9035 298.9143 -104.9248 -76.8933 759597.6488 -5.8208 -5.8540 PRESSURE: 364600 -138.434 -160.89 -53.7686 -160.891 4.29906 -155.978 -53.7692 -155.979 -85.0261 GPRESSURE: 364600 -65.0347 -235.567 36.2946 -182.111 51.2304 -177.078 -169.032 -99.217 -111.087 PRESSAVG: 364600 59.2537 27.7259 5.33338 27.7258 -39.5498 93.7245 5.33334 93.7245 11.4982 GPRESSAVG: 364600 59.3707 27.6044 3.82795 27.1004 -39.1756 93.6648 5.44199 94.3062 11.5238 TIMING: 364600 CPU: 1147.98, 0.00313527/step Wall: 1147.98, 0.00313527/step, 4.03701 hours remaining, 232.136719 MB of memory in use. ENERGY: 364600 3971.1169 20567.6101 14472.9442 228.1926 -203033.3782 2257.0964 0.0000 0.0000 51860.9990 -109675.4189 298.0459 -161536.4180 -109308.3032 298.9070 -73.0538 -41.6304 761539.8750 10.4007 10.5730 PRESSURE: 364800 77.4262 -51.1387 199.111 -51.1382 -9.56237 -62.0275 199.111 -62.028 147.285 GPRESSURE: 364800 92.7374 -92.0857 180.173 -3.88646 21.2123 -126.57 158.129 193.623 189.192 PRESSAVG: 364800 10.6127 -33.5074 8.19181 -33.5074 9.88427 48.4148 8.19183 48.4149 7.61508 GPRESSAVG: 364800 11.4383 -33.2813 8.79198 -34.9085 9.25681 51.1032 8.37219 47.0863 7.59216 TIMING: 364800 CPU: 1148.61, 0.00314409/step Wall: 1148.61, 0.00314409/step, 4.04819 hours remaining, 232.230469 MB of memory in use. ENERGY: 364800 3959.9767 20539.3433 14432.6617 256.0909 -203529.9883 2560.3882 0.0000 0.0000 52020.8175 -109760.7099 298.9644 -161781.5274 -109393.5476 298.8101 71.7163 101.0473 760668.1922 9.3707 9.4291 PRESSURE: 365000 -300.364 8.67866 -6.97374 8.67913 -258.684 18.9064 -6.97397 18.9067 82.7546 GPRESSURE: 365000 -230.536 -25.4779 46.0762 15.4774 -268.782 79.4109 -100.395 144.395 110.775 PRESSAVG: 365000 19.6119 -8.52197 -19.2287 -8.52191 0.851912 37.4326 -19.2287 37.4326 20.5378 GPRESSAVG: 365000 19.7322 -8.52433 -19.8448 -9.10791 1.02035 35.9179 -17.6132 38.8548 20.2608 TIMING: 365000 CPU: 1149.23, 0.00312945/step Wall: 1149.23, 0.00312945/step, 4.02917 hours remaining, 232.230469 MB of memory in use. ENERGY: 365000 3984.3442 20667.0149 14521.5967 247.3835 -203926.0516 2557.5840 0.0000 0.0000 52096.0987 -109852.0296 299.3970 -161948.1283 -109479.6359 298.8741 -158.7647 -129.5142 759567.8883 13.6672 13.6711 PRESSURE: 365200 -101.343 21.0903 -58.1059 21.0898 193.733 44.1048 -58.1055 44.104 -81.771 GPRESSURE: 365200 -59.4592 53.8187 -28.484 30.9209 264.852 42.8391 -124.185 75.7851 -103.832 PRESSAVG: 365200 -22.0493 -26.0149 13.5445 -26.0149 -26.4164 45.2992 13.5445 45.2993 -17.235 GPRESSAVG: 365200 -24.1918 -24.8051 14.105 -25.0168 -24.8983 46.4289 13.4379 42.9238 -16.1992 TIMING: 365200 CPU: 1149.86, 0.00312593/step Wall: 1149.86, 0.00312593/step, 4.02447 hours remaining, 232.230469 MB of memory in use. ENERGY: 365200 3956.6108 20528.6144 14527.4653 234.3362 -203878.8546 2833.9972 0.0000 0.0000 52169.6033 -109628.2273 299.8194 -161797.8306 -109256.8992 298.5913 3.5397 33.8535 760759.0153 -21.9002 -21.7631 PRESSURE: 365400 -168.618 -42.7243 67.1061 -42.7244 -117.956 200.16 67.106 200.161 -79.2173 GPRESSURE: 365400 -156.311 -50.4838 105.72 48.5883 -80.7554 203.708 15.3202 52.5922 -40.5425 PRESSAVG: 365400 -7.733 7.95591 13.944 7.95588 65.9906 79.3368 13.9439 79.3368 -3.17272 GPRESSAVG: 365400 -6.30235 5.86646 15.5858 7.49471 64.4357 79.3553 11.8848 80.778 -3.49593 TIMING: 365400 CPU: 1150.49, 0.00315361/step Wall: 1150.49, 0.00315361/step, 4.05992 hours remaining, 232.230469 MB of memory in use. ENERGY: 365400 4083.5827 20483.0988 14581.9454 235.2449 -203447.4678 2389.7546 0.0000 0.0000 51897.4421 -109776.3992 298.2553 -161673.8413 -109414.5013 298.9582 -121.9302 -92.5362 759819.9250 18.3616 18.2125 PRESSURE: 365600 15.5752 -146.381 16.4035 -146.38 0.80456 13.4643 16.404 13.4648 200.065 GPRESSURE: 365600 91.5026 -210.06 90.3434 -74.135 50.9015 60.0146 83.6561 36.657 160.693 PRESSAVG: 365600 -53.5673 -15.0223 4.12358 -15.0223 18.6868 49.0715 4.12361 49.0716 1.52366 GPRESSAVG: 365600 -53.9443 -13.5693 1.98563 -14.4418 19.3621 48.0426 4.32264 49.7747 0.64203 TIMING: 365600 CPU: 1151.12, 0.00314447/step Wall: 1151.12, 0.00314447/step, 4.04798 hours remaining, 232.230469 MB of memory in use. ENERGY: 365600 4019.5369 20576.6313 14469.5500 250.1957 -203667.2012 2731.4702 0.0000 0.0000 51992.7710 -109627.0462 298.8032 -161619.8172 -109274.7154 299.2033 72.1481 101.0323 760421.4169 -11.1189 -11.3134 PRESSURE: 365800 -131.804 -37.6993 28.8316 -37.7002 168.302 74.8229 28.832 74.8228 -280.14 GPRESSURE: 365800 -93.0944 -107.446 50.9787 -40.5111 161.571 94.1225 128.79 128.828 -236.514 PRESSAVG: 365800 42.9637 -40.7558 -23.1086 -40.7558 -62.6847 28.9222 -23.1086 28.9222 -3.86 GPRESSAVG: 365800 44.5509 -42.1384 -21.2545 -39.668 -64.8031 28.7773 -22.3542 28.2221 -3.04497 TIMING: 365800 CPU: 1151.75, 0.00313822/step Wall: 1151.75, 0.00313822/step, 4.03976 hours remaining, 232.230469 MB of memory in use. ENERGY: 365800 4021.0500 20682.4868 14476.2081 253.4781 -203702.1281 2704.1955 0.0000 0.0000 51927.4660 -109637.2435 298.4279 -161564.7095 -109282.1279 298.9838 -81.2138 -56.0127 761724.4033 -7.8603 -7.7657 PRESSURE: 366000 -14.5067 -159.312 14.3414 -159.312 261.464 -62.2558 14.3422 -62.257 400.491 GPRESSURE: 366000 -1.03984 -205.709 34.641 -114.857 350.642 -61.3835 -142.796 -102.28 395.857 PRESSAVG: 366000 -17.6355 -79.1117 -23.3267 -79.1117 8.86737 21.1692 -23.3267 21.1692 7.36012 GPRESSAVG: 366000 -19.006 -77.5625 -24.4976 -81.5242 10.7503 22.5837 -23.9912 20.8994 7.28771 TIMING: 366000 CPU: 1152.38, 0.00315771/step Wall: 1152.38, 0.00315771/step, 4.06467 hours remaining, 232.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 366000 3981.5536 20558.2660 14468.5500 238.0974 -203447.7589 2621.3736 0.0000 0.0000 51752.8376 -109827.0807 297.4243 -161579.9183 -109468.4935 298.3812 215.8163 248.4865 761209.0812 -0.4693 -0.3227 PRESSURE: 366200 -102.634 -121.234 -130.696 -121.234 -321.641 -210.95 -130.696 -210.95 286.59 GPRESSURE: 366200 -58.403 -138.585 -145.001 -132.406 -267.625 -199.957 -120.908 -218.799 277.883 PRESSAVG: 366200 -7.11197 -29.5931 38.7252 -29.593 1.12337 9.7675 38.7252 9.76748 17.3714 GPRESSAVG: 366200 -5.97132 -29.4786 37.566 -29.1938 1.04537 9.77148 41.3947 9.60432 15.943 TIMING: 366200 CPU: 1153.01, 0.00314005/step Wall: 1153.01, 0.00314005/step, 4.04176 hours remaining, 232.230469 MB of memory in use. ENERGY: 366200 4003.7571 20561.0410 14451.5708 241.1323 -203543.6084 2711.0165 0.0000 0.0000 51959.8439 -109615.2467 298.6139 -161575.0906 -109261.3690 298.1684 -45.8947 -16.0482 760197.2404 3.7943 3.6724 PRESSURE: 366400 64.1623 91.1547 72.61 91.1553 20.5732 159.53 72.6095 159.529 -228.555 GPRESSURE: 366400 206.532 110.454 -30.4293 -28.3659 -20.5335 152.636 73.3127 198.936 -253.905 PRESSAVG: 366400 -14.618 -50.7584 33.2645 -50.7583 4.6816 -3.78607 33.2645 -3.78611 -43.8765 GPRESSAVG: 366400 -13.8392 -51.8483 33.924 -49.0543 3.90022 -5.48607 30.8513 -1.17239 -43.8271 TIMING: 366400 CPU: 1153.63, 0.00314157/step Wall: 1153.63, 0.00314157/step, 4.04355 hours remaining, 232.230469 MB of memory in use. ENERGY: 366400 3923.4689 20520.0933 14531.0805 244.3212 -203689.9383 2685.2173 0.0000 0.0000 51995.4080 -109790.3491 298.8183 -161785.7571 -109428.7948 299.2773 -47.9399 -22.6354 761527.8526 -17.9376 -17.9221 PRESSURE: 366600 -31.1538 -235.726 -130.102 -235.725 -26.25 42.4215 -130.103 42.4218 27.6604 GPRESSURE: 366600 139.354 -204.305 -175.346 -219.152 -64.149 80.9554 30.0106 -174.505 -12.9175 PRESSAVG: 366600 52.4965 -75.3437 27.7741 -75.3437 -24.4739 24.7064 27.774 24.7064 3.44898 GPRESSAVG: 366600 51.5472 -74.3734 30.0333 -76.1377 -23.5537 25.1659 27.9703 20.8993 3.4138 TIMING: 366600 CPU: 1154.26, 0.00314253/step Wall: 1154.26, 0.00314253/step, 4.04461 hours remaining, 232.230469 MB of memory in use. ENERGY: 366600 3922.1859 20575.2168 14392.9258 251.4680 -203466.3848 2638.2385 0.0000 0.0000 51901.9868 -109784.3629 298.2814 -161686.3498 -109423.9391 298.7643 -9.9145 20.7623 762247.7434 10.4905 10.4691 PRESSURE: 366800 -385.54 280.554 59.383 280.555 -93.6758 -298.931 59.3837 -298.93 -16.5384 GPRESSURE: 366800 -365.173 170.346 -16.7334 319.372 -31.0099 -240.851 44.3311 -353.324 -34.2312 PRESSAVG: 366800 43.8173 -22.6689 45.0762 -22.6689 -28.9248 -21.8218 45.0762 -21.8217 7.27563 GPRESSAVG: 366800 42.9574 -25.2957 43.0274 -22.1403 -28.2613 -21.9427 45.2308 -19.5627 7.40734 TIMING: 366800 CPU: 1154.89, 0.00311922/step Wall: 1154.89, 0.00311922/step, 4.01443 hours remaining, 232.230469 MB of memory in use. ENERGY: 366800 4029.9121 20452.4248 14453.3463 253.3556 -203102.6080 2293.9225 0.0000 0.0000 51951.5468 -109668.0999 298.5663 -161619.6467 -109317.1114 298.8483 -165.2514 -143.4714 761657.2908 7.3894 7.3678 PRESSURE: 367000 138.603 25.0269 31.9125 25.027 -88.5489 214.279 31.9131 214.279 106.178 GPRESSURE: 367000 147.302 12.9457 -21.6303 143.131 -75.4629 203.822 72.6846 91.5529 150.541 PRESSAVG: 367000 -31.6373 12.4571 46.9319 12.457 15.1003 19.461 46.932 19.4611 3.2015 GPRESSAVG: 367000 -30.9793 13.2737 47.632 12.944 14.1632 19.9187 48.0223 19.1355 3.31712 TIMING: 367000 CPU: 1155.51, 0.00312003/step Wall: 1155.51, 0.00312003/step, 4.0153 hours remaining, 232.230469 MB of memory in use. ENERGY: 367000 3939.1830 20544.0466 14488.4246 235.6278 -203658.9618 2713.1136 0.0000 0.0000 52074.1362 -109664.4300 299.2708 -161738.5661 -109297.8754 299.5529 52.0773 74.1266 761207.5172 -4.4452 -4.4997 PRESSURE: 367200 -98.4457 -76.7584 85.6786 -76.7586 -110.996 256.617 85.678 256.618 -478.901 GPRESSURE: 367200 8.48826 -124.549 138.318 -62.4474 -124.208 173.16 -94.5148 233.338 -493.873 PRESSAVG: 367200 -9.89696 -13.5639 -14.9975 -13.5639 28.1134 48.4642 -14.9975 48.4642 -0.0309976 GPRESSAVG: 367200 -10.54 -14.9967 -14.3436 -13.0938 28.6736 48.8557 -17.4054 47.4746 -0.712753 TIMING: 367200 CPU: 1156.14, 0.00314593/step Wall: 1156.14, 0.00314593/step, 4.04846 hours remaining, 232.230469 MB of memory in use. ENERGY: 367200 4095.8199 20550.3754 14451.7501 237.8164 -203039.3103 2229.5080 0.0000 0.0000 51844.7396 -109629.3008 297.9524 -161474.0404 -109262.8099 298.9040 -229.4475 -203.1974 760045.3926 6.0618 5.8069 PRESSURE: 367400 -235.465 -240.631 -3.0417 -240.632 -2.65359 -2.54187 -3.04145 -2.54088 -398.718 GPRESSURE: 367400 -186.524 -299.717 13.5968 -214.027 53.6274 100.394 -26.393 8.31474 -415.569 PRESSAVG: 367400 -23.3936 2.60045 -20.2097 2.60039 20.066 47.5841 -20.2099 47.5841 -1.63204 GPRESSAVG: 367400 -22.9467 5.56202 -20.8788 0.72956 19.7409 46.4986 -19.2271 47.7937 -1.62744 TIMING: 367400 CPU: 1156.76, 0.00312772/step Wall: 1156.76, 0.00312772/step, 4.02486 hours remaining, 232.230469 MB of memory in use. ENERGY: 367400 4044.5416 20385.2065 14371.1769 262.8386 -203407.7030 2484.0934 0.0000 0.0000 52321.1315 -109538.7146 300.6903 -161859.8461 -109181.0949 299.5655 -212.2786 -182.8219 760864.9102 -1.6532 -1.6111 PRESSURE: 367600 -441.575 131.735 248.467 131.734 -284.906 148.67 248.466 148.669 -418.978 GPRESSURE: 367600 -479.941 107.598 267.042 114.021 -207.264 201.402 201.419 127.5 -392.748 PRESSAVG: 367600 -13.4197 -42.7244 18.6745 -42.7243 -12.7731 32.486 18.6745 32.4861 21.7479 GPRESSAVG: 367600 -12.9104 -43.089 19.6989 -41.5047 -12.8142 31.041 18.3326 34.9548 21.6275 TIMING: 367600 CPU: 1157.39, 0.00313074/step Wall: 1157.39, 0.00313074/step, 4.02857 hours remaining, 232.230469 MB of memory in use. ENERGY: 367600 4093.2925 20558.0215 14417.5092 245.2888 -202977.8774 2385.7203 0.0000 0.0000 51926.2860 -109351.7591 298.4211 -161278.0451 -108991.2859 299.4235 -381.8198 -359.9842 761741.9017 -1.4816 -1.3657 PRESSURE: 367800 -245.469 -87.0926 -240.448 -87.0931 -127.962 28.7427 -240.449 28.7424 -15.6567 GPRESSURE: 367800 -228.301 -76.6597 -265.068 -215.81 -93.7295 20.6723 -138.37 143.51 -5.74125 PRESSAVG: 367800 -5.10083 -23.9308 2.87631 -23.9308 14.6008 17.675 2.87637 17.6749 10.6453 GPRESSAVG: 367800 -5.55205 -22.9573 1.38807 -24.2884 13.7646 19.5053 2.11509 14.2439 11.4503 TIMING: 367800 CPU: 1158.02, 0.00312896/step Wall: 1158.02, 0.00312897/step, 4.02611 hours remaining, 232.230469 MB of memory in use. ENERGY: 367800 3996.7708 20339.9423 14460.3696 247.1638 -202884.1253 2231.5616 0.0000 0.0000 52053.3166 -109555.0005 299.1511 -161608.3171 -109191.3597 299.5042 -129.6958 -109.2574 760448.9675 6.7151 6.5543 PRESSURE: 368000 -388.295 -145.256 87.2117 -145.256 -123.292 -84.7644 87.2118 -84.7653 -304.569 GPRESSURE: 368000 -298.231 -39.2863 103.369 -136.106 -123.561 -38.5303 88.0596 -189.182 -302.663 PRESSAVG: 368000 -23.5074 -71.6036 14.4537 -71.6036 35.8678 13.5516 14.4537 13.5517 -5.03138 GPRESSAVG: 368000 -23.0219 -72.563 14.7128 -71.1982 36.1795 13.7851 14.4246 15.8502 -5.44247 TIMING: 368000 CPU: 1158.64, 0.00313748/step Wall: 1158.64, 0.00313748/step, 4.03689 hours remaining, 232.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 368000 4039.3067 20364.6992 14454.4205 246.8588 -202780.8301 2104.5536 0.0000 0.0000 52032.9345 -109538.0568 299.0340 -161570.9914 -109183.7495 299.3168 -272.0521 -241.4850 761855.9533 2.4430 2.5717 PRESSURE: 368200 65.7132 -108.535 -194.44 -108.535 -167.76 59.2088 -194.44 59.2079 -378.779 GPRESSURE: 368200 116.319 -93.0498 -162.761 -80.214 -169.556 64.7285 -129.49 -7.39171 -316.951 PRESSAVG: 368200 7.51085 -53.408 62.7218 -53.408 -20.5085 -19.6318 62.7218 -19.6318 -15.9983 GPRESSAVG: 368200 8.48275 -54.8291 62.7246 -53.6521 -20.778 -20.5776 64.846 -20.7875 -16.545 TIMING: 368200 CPU: 1159.28, 0.00317002/step Wall: 1159.28, 0.00317002/step, 4.07859 hours remaining, 232.230469 MB of memory in use. ENERGY: 368200 4002.2207 20455.9938 14486.7128 247.4870 -203072.5468 2420.8625 0.0000 0.0000 51904.6941 -109554.5760 298.2970 -161459.2700 -109203.7854 299.4897 -160.2753 -123.3962 761708.4475 -9.6653 -9.6134 LDB: ============= START OF LOAD BALANCING ============== 1171.68 LDB: ============== END OF LOAD BALANCING =============== 1171.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1171.68 LDB: ============= START OF LOAD BALANCING ============== 1171.99 LDB: Largest compute 7027 load 0.032199 is 16.5% of average load 0.195682 LDB: Average compute 0.004389 is 2.2% of average load 0.195682 LDB: TIME 1172 LOAD: AVG 0.195682 MAX 0.213935 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.121 MB LDB: TIME 1172 LOAD: AVG 0.195682 MAX 0.213935 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.121 MB LDB: TIME 1172 LOAD: AVG 0.195682 MAX 0.213935 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.121 MB LDB: ============== END OF LOAD BALANCING =============== 1172 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1172.01 PRESSURE: 368400 366.955 72.2837 99.5267 72.2849 120.711 -11.8184 99.5274 -11.8176 -221.102 GPRESSURE: 368400 402.337 145.063 34.793 -75.4339 90.6014 60.3299 141.077 -103.937 -154.738 PRESSAVG: 368400 -7.3181 -54.4088 12.4468 -54.4088 -10.805 12.0497 12.4468 12.0497 -2.61506 GPRESSAVG: 368400 -7.16006 -51.3246 13.4023 -54.1761 -9.92448 12.8373 11.2896 11.25 -3.41749 TIMING: 368400 CPU: 1159.92, 0.00322469/step Wall: 1159.92, 0.00322469/step, 4.14874 hours remaining, 232.082031 MB of memory in use. ENERGY: 368400 3942.7543 20311.2705 14487.0311 242.7965 -203025.8170 2311.5778 0.0000 0.0000 52050.5692 -109679.8176 299.1353 -161730.3869 -109317.6242 298.9396 88.8544 112.7335 760708.4954 -6.9127 -6.8340 PRESSURE: 368600 -693.527 -160.554 4.8366 -160.553 -64.7863 103.154 4.83667 103.154 -112.642 GPRESSURE: 368600 -624.348 -202.524 -46.4005 -81.954 -103.921 79.0333 4.11431 207.089 -59.2623 PRESSAVG: 368600 -5.01865 -1.93504 30.2101 -1.93512 -5.30324 29.9881 30.2101 29.988 3.58355 GPRESSAVG: 368600 -5.4745 -2.83632 30.6146 -2.82814 -5.1723 27.9796 30.6459 30.1137 3.65834 TIMING: 368600 CPU: 1160.55, 0.00313021/step Wall: 1160.55, 0.00313021/step, 4.02701 hours remaining, 232.160156 MB of memory in use. ENERGY: 368600 3998.5315 20522.2634 14425.5631 264.2182 -203053.1423 1936.7500 0.0000 0.0000 51989.1756 -109916.6404 298.7825 -161905.8160 -109559.2542 298.2196 -290.3183 -262.5103 759353.3841 -2.2461 -2.3295 PRESSURE: 368800 -467.466 31.7471 -125.215 31.7475 -164.241 -160.076 -125.215 -160.075 56.4744 GPRESSURE: 368800 -296.738 76.4188 -78.4385 -127.888 -197.325 -153.558 -23.5338 -278.464 -0.703039 PRESSAVG: 368800 13.614 -14.1005 -26.211 -14.1005 -19.281 69.5897 -26.2111 69.5897 5.00251 GPRESSAVG: 368800 12.5371 -15.4232 -26.2635 -14.4385 -19.2967 71.6943 -26.1796 69.7379 5.91902 TIMING: 368800 CPU: 1161.17, 0.00312714/step Wall: 1161.17, 0.00312714/step, 4.0229 hours remaining, 232.160156 MB of memory in use. ENERGY: 368800 3978.0463 20415.4619 14442.2117 247.9125 -203187.1747 2407.8344 0.0000 0.0000 52054.3356 -109641.3724 299.1570 -161695.7080 -109273.0063 298.7102 -191.7441 -164.9220 760314.0483 -0.2215 -0.2802 PRESSURE: 369000 266.674 221.425 -16.7438 221.425 180.405 143.548 -16.7437 143.548 209.381 GPRESSURE: 369000 338.828 91.4343 -62.2122 124.732 178.712 158.449 -146.026 218.224 226.051 PRESSAVG: 369000 8.07953 -26.6892 9.26938 -26.6892 -45.93 27.6272 9.26934 27.6271 11.1531 GPRESSAVG: 369000 8.64589 -29.32 9.29838 -25.8075 -46.255 28.0645 8.60501 27.5152 10.7965 TIMING: 369000 CPU: 1161.8, 0.00313041/step Wall: 1161.8, 0.00313041/step, 4.02693 hours remaining, 232.160156 MB of memory in use. ENERGY: 369000 3897.5127 20345.9436 14477.2727 245.0418 -203144.3093 2350.5406 0.0000 0.0000 52135.7262 -109692.2718 299.6247 -161827.9980 -109337.4649 299.4215 218.8201 247.8638 761877.3935 -8.8991 -8.9375 PRESSURE: 369200 182.746 -151.019 -89.5661 -151.019 -134.235 -48.4056 -89.5662 -48.4061 178.86 GPRESSURE: 369200 180.874 -92.1262 -56.9955 -77.6279 -156.536 -83.1631 -120.388 -103.013 268.675 PRESSAVG: 369200 -19.8103 1.95094 -14.9217 1.95102 0.98094 -15.3323 -14.9217 -15.3323 26.5116 GPRESSAVG: 369200 -19.3497 3.32829 -14.941 3.85455 0.866861 -15.4433 -15.9839 -14.9266 26.6185 TIMING: 369200 CPU: 1162.43, 0.00313388/step Wall: 1162.43, 0.00313388/step, 4.03122 hours remaining, 232.160156 MB of memory in use. ENERGY: 369200 3945.5276 20482.6931 14413.7258 235.6770 -203340.9687 2709.2018 0.0000 0.0000 51850.0345 -109704.1088 297.9829 -161554.1433 -109346.9506 298.7165 75.7903 97.6711 760815.4996 2.5608 2.7119 PRESSURE: 369400 163.553 -99.6021 128.919 -99.6024 -2.0199 192.821 128.918 192.82 -137.797 GPRESSURE: 369400 150.048 -62.2287 168.494 -99.7141 87.9905 97.4499 77.9594 213.878 -129.377 PRESSAVG: 369400 -13.245 3.64107 -38.4642 3.64105 24.9571 28.9195 -38.4643 28.9195 -12.693 GPRESSAVG: 369400 -13.5585 5.84052 -38.8888 2.52498 24.7664 28.3637 -36.6869 28.1603 -11.6426 TIMING: 369400 CPU: 1163.06, 0.00315477/step Wall: 1163.06, 0.00315477/step, 4.05791 hours remaining, 232.160156 MB of memory in use. ENERGY: 369400 3983.8669 20402.7861 14429.5663 242.9136 -203239.4255 2483.0714 0.0000 0.0000 52078.8371 -109618.3841 299.2978 -161697.2212 -109260.9008 298.8965 7.9121 36.2206 759647.9773 -0.3269 -0.1449 PRESSURE: 369600 17.4892 148.531 184.2 148.531 -227.108 11.1523 184.199 11.1527 -6.5522 GPRESSURE: 369600 54.828 67.4353 162.336 87.2037 -254.924 -11.2489 29.7855 -36.1646 65.3595 PRESSAVG: 369600 -17.207 -17.2055 44.5637 -17.2055 1.45644 -44.8905 44.5638 -44.8905 4.31168 GPRESSAVG: 369600 -16.7912 -17.4592 44.6042 -18.8677 1.76979 -45.0274 43.4431 -44.6716 3.71922 TIMING: 369600 CPU: 1163.68, 0.00313018/step Wall: 1163.68, 0.00313018/step, 4.0261 hours remaining, 232.160156 MB of memory in use. ENERGY: 369600 3944.9222 20484.0042 14387.1925 249.9752 -202883.9570 2226.7208 0.0000 0.0000 51929.9088 -109661.2334 298.4419 -161591.1422 -109297.8318 299.1248 -72.0570 -44.9122 761741.1203 -3.8130 -3.7674 PRESSURE: 369800 238.927 -170.486 -240.249 -170.486 244.764 205.526 -240.249 205.526 139.156 GPRESSURE: 369800 313.985 -53.2764 -181.616 -114.71 247.874 136.305 -355.961 26.3437 138.263 PRESSAVG: 369800 25.355 -61.1109 32.0019 -61.1108 -50.4344 17.09 32.0019 17.0899 -2.10086 GPRESSAVG: 369800 24.9181 -59.1253 32.9397 -61.4237 -50.0454 16.2088 29.1459 18.4916 -2.19677 TIMING: 369800 CPU: 1164.32, 0.00316357/step Wall: 1164.32, 0.00316357/step, 4.06888 hours remaining, 232.160156 MB of memory in use. ENERGY: 369800 4015.1468 20461.8112 14406.3217 246.5832 -203317.0870 2666.2576 0.0000 0.0000 52150.6775 -109370.2890 299.7107 -161520.9664 -109016.7275 299.2117 207.6156 233.3743 760725.7126 -9.0601 -9.1080 PRESSURE: 370000 -49.6165 36.1174 -35.143 36.1169 -56.2871 -65.1603 -35.1429 -65.1596 -39.7396 GPRESSURE: 370000 -41.0544 20.733 -46.5915 -128.705 -20.0859 16.107 -135.241 -42.3546 0.395566 PRESSAVG: 370000 49.6907 42.0835 7.16871 42.0835 -83.3539 6.26591 7.16872 6.26592 7.89216 GPRESSAVG: 370000 50.0468 40.9412 6.40398 43.4354 -83.3384 6.88999 10.2097 3.84983 7.53721 TIMING: 370000 CPU: 1164.94, 0.00313185/step Wall: 1164.94, 0.00313185/step, 4.0279 hours remaining, 232.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 370000 4058.8050 20409.8668 14442.2639 256.8824 -203103.0903 2405.8643 0.0000 0.0000 52062.3725 -109467.0355 299.2032 -161529.4080 -109105.0821 299.3057 -48.5477 -20.2482 760214.1555 -8.5904 -8.5848 PRESSURE: 370200 -12.2003 25.7291 4.28565 25.7294 -172.811 -122.43 4.2863 -122.43 228.303 GPRESSURE: 370200 -16.8669 -36.0674 4.61511 49.3872 -54.1819 -60.0525 116.874 1.64845 197.491 PRESSAVG: 370200 -22.4412 5.46892 -21.8173 5.46897 42.8042 -40.6263 -21.8173 -40.6263 -0.198698 GPRESSAVG: 370200 -22.5856 5.1096 -21.7384 4.84723 42.444 -40.7501 -19.4241 -37.578 0.358002 TIMING: 370200 CPU: 1165.57, 0.00313665/step Wall: 1165.57, 0.00313665/step, 4.0339 hours remaining, 232.230469 MB of memory in use. ENERGY: 370200 4026.2594 20357.2509 14450.0125 243.0297 -203078.6652 2265.1352 0.0000 0.0000 51977.6368 -109759.3407 298.7162 -161736.9775 -109408.5762 299.3813 14.4304 42.1474 760889.0938 6.7214 6.7388 PRESSURE: 370400 66.8136 -253.387 77.5437 -253.387 -66.5302 40.7208 77.5442 40.7217 -360.595 GPRESSURE: 370400 63.3709 -264.222 56.2689 -165.12 -13.0654 51.4137 -4.4928 71.8218 -334.114 PRESSAVG: 370400 -25.4503 -45.9288 -9.71512 -45.9288 -1.7153 -16.4925 -9.71504 -16.4925 -10.1234 GPRESSAVG: 370400 -24.6994 -44.6747 -10.0776 -46.1102 -2.19608 -16.8258 -9.98091 -16.9658 -10.3852 TIMING: 370400 CPU: 1166.2, 0.00314713/step Wall: 1166.2, 0.00314713/step, 4.04721 hours remaining, 232.230469 MB of memory in use. ENERGY: 370400 4013.2919 20567.7644 14413.5329 233.6990 -203420.5584 2494.1623 0.0000 0.0000 51762.1839 -109935.9240 297.4780 -161698.1080 -109582.2375 298.6982 -120.1037 -94.6027 761307.3450 -12.4296 -12.4269 PRESSURE: 370600 -23.1178 -118.041 -15.084 -118.041 -405.185 270.93 -15.084 270.929 -78.5518 GPRESSURE: 370600 3.23321 -133.517 0.314144 -81.6035 -369.285 271.689 11.7463 188.227 -55.0165 PRESSAVG: 370600 54.1713 -23.7483 -17.571 -23.7483 -3.88539 17.2757 -17.571 17.2756 -13.5478 GPRESSAVG: 370600 54.4897 -24.0039 -17.0913 -24.0825 -3.26023 17.0552 -18.078 16.7493 -14.3328 TIMING: 370600 CPU: 1166.83, 0.00313401/step Wall: 1166.83, 0.00313401/step, 4.03017 hours remaining, 232.230469 MB of memory in use. ENERGY: 370600 3996.5992 20610.1927 14393.7972 243.8224 -203174.9216 2288.9246 0.0000 0.0000 51925.5857 -109715.9998 298.4171 -161641.5855 -109362.7034 299.1153 -168.9514 -140.3561 759742.6041 12.2460 12.2989 PRESSURE: 370800 -273.408 232.147 26.5248 232.147 -278.651 -54.7389 26.5248 -54.7371 -109.74 GPRESSURE: 370800 -177.23 358.567 -23.1582 231.643 -270.99 -105.512 97.6111 -35.3829 -161.158 PRESSAVG: 370800 34.6998 5.73744 -12.2975 5.73748 -49.0088 31.7748 -12.2975 31.7748 12.1217 GPRESSAVG: 370800 33.8741 4.8676 -12.2851 7.17229 -49.1534 33.0453 -12.0621 33.0447 13.4427 TIMING: 370800 CPU: 1167.46, 0.00315631/step Wall: 1167.46, 0.00315631/step, 4.05866 hours remaining, 232.230469 MB of memory in use. ENERGY: 370800 3886.0785 20346.1684 14415.1984 230.6817 -203015.0528 2214.4719 0.0000 0.0000 52044.7651 -109877.6889 299.1020 -161922.4540 -109503.5367 298.6192 -220.5997 -203.1261 761367.9828 -0.7291 -0.6122 PRESSURE: 371000 22.6864 -227.497 -210.346 -227.496 -77.9834 -165.854 -210.346 -165.854 153.931 GPRESSURE: 371000 28.681 -160.398 -242.095 -218.113 -26.462 -140.092 -239.746 -118.295 173.242 PRESSAVG: 371000 12.1356 -26.2085 -64.333 -26.2085 -60.0532 0.720532 -64.333 0.720508 -4.17201 GPRESSAVG: 371000 12.7679 -25.9704 -63.0159 -28.0641 -59.6703 -0.0919348 -67.4299 0.952972 -5.05529 TIMING: 371000 CPU: 1168.09, 0.00316033/step Wall: 1168.09, 0.00316033/step, 4.06366 hours remaining, 232.230469 MB of memory in use. ENERGY: 371000 3975.7168 20499.7533 14441.3124 250.3982 -203598.3072 2256.8441 0.0000 0.0000 52122.3929 -110051.8895 299.5481 -162174.2824 -109689.3001 298.8377 32.8780 58.4869 759521.8102 -17.3632 -17.3192 PRESSURE: 371200 -448.37 72.3096 -17.6136 72.309 -671.856 82.119 -17.6136 82.1195 -425.34 GPRESSURE: 371200 -447.627 118.561 -35.769 61.9552 -622.306 42.1228 53.2595 51.3914 -375.121 PRESSAVG: 371200 51.0246 -37.6481 -42.6332 -37.6481 -47.1769 -19.7245 -42.6332 -19.7245 11.8037 GPRESSAVG: 371200 50.1225 -37.7395 -44.5462 -35.3854 -47.2197 -22.1763 -40.5905 -18.7243 12.5411 TIMING: 371200 CPU: 1168.72, 0.00314322/step Wall: 1168.72, 0.00314322/step, 4.04149 hours remaining, 232.230469 MB of memory in use. ENERGY: 371200 3998.2725 20507.7227 14423.9172 236.8673 -202997.8574 1948.6357 0.0000 0.0000 51655.3543 -110227.0878 296.8640 -161882.4421 -109876.6323 298.0842 -515.1888 -481.6845 760605.5311 5.2171 5.1480 PRESSURE: 371400 -47.292 227.807 -46.6081 227.806 -169.52 184.586 -46.607 184.586 -199.468 GPRESSURE: 371400 -63.6576 166.407 -44.6078 138.603 -127.579 190.778 6.00959 232.733 -132.066 PRESSAVG: 371400 23.45 -12.2993 57.0343 -12.2993 29.6107 -2.93809 57.0342 -2.93807 2.68667 GPRESSAVG: 371400 23.5426 -11.3857 57.5512 -15.725 29.6533 0.0168512 57.2418 -5.37302 2.95617 TIMING: 371400 CPU: 1169.35, 0.0031399/step Wall: 1169.35, 0.0031399/step, 4.03704 hours remaining, 232.230469 MB of memory in use. ENERGY: 371400 4042.9857 20409.7131 14564.8282 256.8799 -203392.0510 2435.3993 0.0000 0.0000 51612.4587 -110069.7862 296.6175 -161682.2449 -109711.3767 297.8163 -138.7599 -107.7675 760543.7926 18.5825 18.7173 PRESSURE: 371600 -288.783 -193.264 336.726 -193.263 39.7679 -263.635 336.726 -263.636 334.479 GPRESSURE: 371600 -273.238 -240.216 197.803 -359.201 63.9344 -159.366 249.494 -293.901 384.634 PRESSAVG: 371600 -32.6003 -61.2461 -25.928 -61.2461 22.2321 -0.603345 -25.928 -0.60333 -5.94869 GPRESSAVG: 371600 -33.7382 -61.0188 -25.3744 -58.9302 23.4117 -2.35507 -25.2176 0.990407 -6.28379 TIMING: 371600 CPU: 1169.98, 0.00315711/step Wall: 1169.98, 0.00315711/step, 4.05899 hours remaining, 232.230469 MB of memory in use. ENERGY: 371600 3942.5411 20553.1620 14408.1274 247.4655 -203403.7686 2379.5611 0.0000 0.0000 51861.5457 -110011.3659 298.0490 -161872.9116 -109644.3967 298.3101 28.4879 58.4434 759936.0655 -5.4390 -5.5367 PRESSURE: 371800 -11.8703 -64.4957 -78.1215 -64.4944 -257.754 -13.4854 -78.1226 -13.4856 -269.667 GPRESSURE: 371800 19.716 50.9734 -124.55 -34.2509 -245.736 -62.5332 28.8832 50.2808 -228.545 PRESSAVG: 371800 0.498778 -35.963 -61.0643 -35.9631 6.68924 -10.2309 -61.0644 -10.231 21.2222 GPRESSAVG: 371800 0.729644 -37.5925 -61.2768 -36.36 6.26341 -7.60881 -63.3554 -12.2291 21.473 TIMING: 371800 CPU: 1170.61, 0.00313772/step Wall: 1170.61, 0.00313772/step, 4.03389 hours remaining, 232.230469 MB of memory in use. ENERGY: 371800 3991.1219 20468.9638 14418.0088 229.0040 -203205.8014 2493.3715 0.0000 0.0000 51664.5731 -109940.7583 296.9170 -161605.3314 -109574.3845 298.4067 -179.7640 -151.5218 760862.7856 9.4701 9.4887 PRESSURE: 372000 -148.121 -10.516 146.861 -10.5159 -118.008 48.3284 146.861 48.3264 28.5434 GPRESSURE: 372000 -91.1946 81.5992 161.508 -6.83606 -77.4622 52.2993 102.819 110.987 39.2153 PRESSAVG: 372000 33.9653 -11.136 -24.83 -11.136 -14.2358 71.6761 -24.83 71.6762 -17.3291 GPRESSAVG: 372000 34.5268 -9.53905 -26.2344 -9.67692 -13.6186 71.6957 -21.7118 72.6676 -18.2347 TIMING: 372000 CPU: 1171.24, 0.00314822/step Wall: 1171.24, 0.00314822/step, 4.04721 hours remaining, 232.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 372000 3961.5244 20314.2470 14457.1626 233.5498 -203133.0903 2171.5448 0.0000 0.0000 52048.5096 -109946.5520 299.1235 -161995.0616 -109584.5510 298.4258 -79.1951 -43.1472 760876.5853 0.8001 0.8912 PRESSURE: 372200 -41.4861 -99.4795 -107.27 -99.4801 137.818 -22.6561 -107.269 -22.6565 286.834 GPRESSURE: 372200 -0.522462 -113.83 -76.8976 -27.1967 235.65 -1.09626 -1.02039 -20.022 229.591 PRESSAVG: 372200 13.5377 -0.70414 11.1863 -0.704098 14.122 44.0334 11.1862 44.0334 -5.14696 GPRESSAVG: 372200 14.2247 -0.816039 11.654 -0.317575 13.5548 41.1561 10.0631 44.896 -5.5543 TIMING: 372200 CPU: 1171.86, 0.00314053/step Wall: 1171.86, 0.00314053/step, 4.03715 hours remaining, 232.230469 MB of memory in use. ENERGY: 372200 3938.6625 20397.0270 14414.3736 251.4354 -203745.4852 2426.0546 0.0000 0.0000 52526.5510 -109791.3812 301.8708 -162317.9322 -109422.5200 298.9531 127.7220 154.9062 759729.6586 7.5042 7.4084 LDB: ============= START OF LOAD BALANCING ============== 1184.26 LDB: ============== END OF LOAD BALANCING =============== 1184.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1184.26 LDB: ============= START OF LOAD BALANCING ============== 1184.58 LDB: Largest compute 7058 load 0.030743 is 15.7% of average load 0.195598 LDB: Average compute 0.004397 is 2.2% of average load 0.195598 LDB: TIME 1184.58 LOAD: AVG 0.195598 MAX 0.217381 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.984 MB LDB: TIME 1184.58 LOAD: AVG 0.195598 MAX 0.217381 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.988 MB LDB: TIME 1184.58 LOAD: AVG 0.195598 MAX 0.217381 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.988 MB LDB: ============== END OF LOAD BALANCING =============== 1184.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1184.59 PRESSURE: 372400 16.5553 76.5428 -156.771 76.5423 80.698 -46.7022 -156.771 -46.7023 43.1665 GPRESSURE: 372400 81.375 37.1615 -171.707 82.7342 102.357 -34.8932 -127.148 -105.901 47.1603 PRESSAVG: 372400 -27.9497 15.9737 41.6157 15.9737 -21.9329 27.329 41.6157 27.3291 -12.5754 GPRESSAVG: 372400 -28.4123 15.8955 42.504 15.2445 -21.9008 28.0472 42.3164 27.4792 -12.1821 TIMING: 372400 CPU: 1172.51, 0.00322761/step Wall: 1172.51, 0.00322761/step, 4.14891 hours remaining, 232.140625 MB of memory in use. ENERGY: 372400 3941.5873 20505.7559 14488.6237 241.4713 -203750.2414 2517.2062 0.0000 0.0000 52174.0285 -109881.5685 299.8449 -162055.5970 -109523.3764 299.1757 46.8066 76.9642 759242.9536 -20.8193 -20.8317 PRESSURE: 372600 -326.493 -169.685 -28.257 -169.685 -377.151 83.4075 -28.2579 83.4078 -46.701 GPRESSURE: 372600 -307.459 -257.781 -102.241 -114.409 -394.471 10.3376 -29.0589 96.3351 44.6354 PRESSAVG: 372600 7.60086 27.1531 2.79513 27.1531 31.1684 2.96655 2.79518 2.96656 -11.8439 GPRESSAVG: 372600 6.25199 26.9167 3.05586 27.1926 31.9275 3.86429 2.42245 -0.0806491 -11.3319 TIMING: 372600 CPU: 1173.14, 0.00315222/step Wall: 1173.14, 0.00315222/step, 4.05183 hours remaining, 232.398438 MB of memory in use. ENERGY: 372600 3997.4238 20548.3002 14438.8232 243.6026 -203356.5739 2366.4362 0.0000 0.0000 51910.8171 -109851.1708 298.3322 -161761.9879 -109485.0727 299.4000 -250.1150 -219.0982 760542.9073 8.9751 8.9492 PRESSURE: 372800 21.3874 -11.0303 48.2085 -11.0302 13.8474 19.0175 48.208 19.0171 3.75458 GPRESSURE: 372800 9.58596 -16.2632 145.012 -76.7462 43.0621 -69.0874 168.738 10.7772 78.4701 PRESSAVG: 372800 -38.3526 -9.4404 -43.9537 -9.44038 35.306 -46.5395 -43.9537 -46.5394 4.22997 GPRESSAVG: 372800 -36.2719 -9.13371 -42.5415 -8.47863 34.8066 -45.8065 -46.6647 -43.1181 3.06653 TIMING: 372800 CPU: 1173.77, 0.00315502/step Wall: 1173.77, 0.00315502/step, 4.05525 hours remaining, 232.421875 MB of memory in use. ENERGY: 372800 3938.3222 20521.2350 14479.9750 254.5729 -203456.7949 2537.8558 0.0000 0.0000 52096.9851 -109627.8488 299.4021 -161724.8339 -109264.8804 299.0809 12.9965 43.7061 760423.8320 0.3944 0.5337 PRESSURE: 373000 -59.3874 79.9161 -136.553 79.9154 -248.066 -54.8984 -136.553 -54.8994 -228.741 GPRESSURE: 373000 5.75998 -23.2153 -190.066 11.695 -225.429 -50.5032 -226.614 -69.8442 -248.609 PRESSAVG: 373000 -33.1416 -0.974061 -77.8929 -0.974054 43.2536 -16.0842 -77.8929 -16.0841 10.1218 GPRESSAVG: 373000 -34.5408 -0.529948 -79.1029 -1.46646 41.7913 -17.6303 -76.4114 -15.4468 12.7345 TIMING: 373000 CPU: 1174.4, 0.00316432/step Wall: 1174.4, 0.00316432/step, 4.06703 hours remaining, 232.421875 MB of memory in use. ENERGY: 373000 4035.1674 20369.5612 14471.8112 235.7799 -203109.1466 2218.3590 0.0000 0.0000 52157.3423 -109621.1257 299.7490 -161778.4680 -109253.3815 299.4213 -178.7317 -156.0926 760337.4151 6.7446 6.6617 PRESSURE: 373200 154.589 -80.343 1.49392 -80.3438 -153.636 274.456 1.49403 274.457 -208.582 GPRESSURE: 373200 198.386 -8.68129 86.1063 -221.199 -138.974 185.525 -48.383 237.178 -180.07 PRESSAVG: 373200 49.1538 -24.2477 -34.8102 -24.2477 -47.179 26.2218 -34.8103 26.2218 -28.8258 GPRESSAVG: 373200 49.2321 -24.3009 -34.9003 -27.7218 -45.8408 25.2889 -33.0403 26.6366 -29.9225 TIMING: 373200 CPU: 1175.03, 0.00314461/step Wall: 1175.03, 0.00314461/step, 4.04153 hours remaining, 232.421875 MB of memory in use. ENERGY: 373200 4005.5402 20528.5474 14444.8423 232.1745 -203149.9953 2210.6390 0.0000 0.0000 52206.7526 -109521.4993 300.0329 -161728.2519 -109169.1623 299.3590 -69.2100 -40.2195 759121.9019 -8.9503 -8.8438 PRESSURE: 373400 40.0865 41.5672 11.7475 41.5662 10.6829 381.506 11.7482 381.504 -456.725 GPRESSURE: 373400 63.5791 269.973 -39.6927 113.831 70.2673 368.203 -13.4019 427.648 -463.696 PRESSAVG: 373400 21.4533 -8.59432 -2.64927 -8.59438 -38.8105 67.0964 -2.64924 67.0964 3.60951 GPRESSAVG: 373400 21.7788 -8.5179 -3.78196 -7.03272 -39.0974 67.3331 -3.92364 66.4541 3.59481 TIMING: 373400 CPU: 1175.67, 0.00316471/step Wall: 1175.67, 0.0031647/step, 4.06717 hours remaining, 232.488281 MB of memory in use. ENERGY: 373400 3987.8704 20440.3653 14438.4880 251.8283 -203377.2494 2442.7434 0.0000 0.0000 52267.7129 -109548.2412 300.3833 -161815.9541 -109173.4940 299.6124 -135.3184 -109.9497 757833.9556 -4.5825 -4.5746 PRESSURE: 373600 -219.163 -45.8814 119.888 -45.8822 -254.39 -45.9702 119.887 -45.9695 -34.2688 GPRESSURE: 373600 -60.5111 84.3167 119.939 2.96915 -334.114 -102.021 167.335 -51.5489 -54.5192 PRESSAVG: 373600 20.0278 -3.244 28.9084 -3.24408 -22.2046 6.47766 28.9084 6.47769 3.20097 GPRESSAVG: 373600 22.2163 -1.74252 30.2815 -4.04181 -22.724 7.35775 30.8645 6.03835 1.96206 TIMING: 373600 CPU: 1176.3, 0.00317499/step Wall: 1176.3, 0.00317499/step, 4.08021 hours remaining, 232.488281 MB of memory in use. ENERGY: 373600 3996.9050 20554.0849 14487.1820 223.9803 -203314.1913 2220.7260 0.0000 0.0000 52325.6675 -109505.6457 300.7163 -161831.3131 -109131.9296 299.5963 -169.2739 -149.7149 759127.5984 0.3414 0.4848 PRESSURE: 373800 -19.2475 162.385 -58.072 162.385 182.553 63.4438 -58.0721 63.4431 151.092 GPRESSURE: 373800 27.3748 137.856 -109.166 80.7073 194.191 130.261 -32.693 9.20013 191.916 PRESSAVG: 373800 11.9477 -17.0256 30.3747 -17.0256 -1.30776 7.78652 30.3747 7.78649 9.03243 GPRESSAVG: 373800 10.4106 -18.3565 29.0617 -14.495 -1.78672 8.97715 27.9965 5.42225 10.861 TIMING: 373800 CPU: 1176.94, 0.00317962/step Wall: 1176.94, 0.00317962/step, 4.08599 hours remaining, 232.488281 MB of memory in use. ENERGY: 373800 3905.7460 20597.3270 14431.5101 257.1471 -203471.6874 2443.1221 0.0000 0.0000 52422.5117 -109414.3233 301.2729 -161836.8350 -109047.7205 300.5424 104.7989 137.8270 758816.8064 6.5575 6.4950 PRESSURE: 374000 -519.301 -199.904 226.583 -199.904 -190.943 -129.63 226.583 -129.63 46.1157 GPRESSURE: 374000 -423.201 -316.967 226.355 -160.593 -195.916 -47.7631 285.216 -66.7101 37.0397 PRESSAVG: 374000 13.5276 -48.3063 25.1312 -48.3064 -44.0174 -0.48709 25.1312 -0.487092 -6.32853 GPRESSAVG: 374000 12.5896 -49.6286 24.7431 -47.9776 -42.9343 -0.709835 28.981 0.305407 -6.12916 TIMING: 374000 CPU: 1177.57, 0.00317715/step Wall: 1177.57, 0.00317715/step, 4.08263 hours remaining, 232.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 374000 3973.2168 20518.5126 14432.3070 243.2536 -203307.3496 2269.4774 0.0000 0.0000 52581.9706 -109288.6116 302.1893 -161870.5822 -108911.0798 300.3476 -221.3761 -194.0257 759861.1555 -12.2728 -12.1579 PRESSURE: 374200 -105.538 -100.818 -147.003 -100.819 127.352 -42.5566 -147.003 -42.5558 -69.9767 GPRESSURE: 374200 -75.0343 -50.5404 -167.778 -89.4684 145.562 73.0374 -98.6744 -38.1593 -31.8982 PRESSAVG: 374200 -0.151465 -63.6818 -44.3838 -63.6818 -15.3742 -55.4765 -44.3838 -55.4766 9.7733 GPRESSAVG: 374200 0.729819 -64.0215 -42.9607 -63.0827 -16.0858 -55.0825 -47.1496 -53.536 8.93831 TIMING: 374200 CPU: 1178.2, 0.00315508/step Wall: 1178.2, 0.00315508/step, 4.0541 hours remaining, 232.488281 MB of memory in use. ENERGY: 374200 3918.1706 20449.6778 14426.0448 252.3092 -203468.1097 2731.7512 0.0000 0.0000 52234.6542 -109455.5020 300.1933 -161690.1561 -109090.7750 300.2023 -16.0544 12.8765 759543.5035 -1.9174 -2.1392 PRESSURE: 374400 279.756 26.8679 -50.5817 26.8679 47.8011 -219.194 -50.5807 -219.195 -93.8794 GPRESSURE: 374400 180.147 -0.205625 24.8794 -31.9358 182.756 -203.54 -29.8716 -124.193 -47.726 PRESSAVG: 374400 1.09732 -24.0903 -42.8702 -24.0903 -7.6834 -25.982 -42.8702 -25.982 16.5461 GPRESSAVG: 374400 0.919122 -23.2397 -43.2888 -27.3967 -7.50558 -27.2636 -42.4975 -27.2674 16.2814 TIMING: 374400 CPU: 1178.83, 0.00315333/step Wall: 1178.83, 0.00315333/step, 4.05168 hours remaining, 232.488281 MB of memory in use. ENERGY: 374400 4006.8591 20718.1773 14412.5846 258.9225 -203253.0811 2450.1848 0.0000 0.0000 52025.7855 -109380.5673 298.9929 -161406.3528 -109014.9238 299.8837 77.8925 105.0589 759510.3406 3.3200 3.2317 PRESSURE: 374600 -107.248 -266.951 -16.4557 -266.951 -186.343 191.989 -16.4547 191.989 -290.89 GPRESSURE: 374600 -83.4552 -285.249 11.1616 -205.375 -107.794 269.249 128.344 16.8704 -312.885 PRESSAVG: 374600 31.0976 -52.9746 9.16476 -52.9747 -22.079 -6.433 9.16471 -6.433 -23.5671 GPRESSAVG: 374600 30.4431 -50.1025 11.8707 -52.1616 -22.9106 -7.16137 6.92947 -5.80112 -22.1773 TIMING: 374600 CPU: 1179.47, 0.00315919/step Wall: 1179.47, 0.00315919/step, 4.05903 hours remaining, 232.488281 MB of memory in use. ENERGY: 374600 4082.0123 20708.7823 14410.9686 231.5507 -203369.8505 2482.6969 0.0000 0.0000 51926.0291 -109527.8105 298.4196 -161453.8395 -109163.3064 300.0335 -194.8272 -168.0449 760381.4229 -4.8495 -4.8816 PRESSURE: 374800 -69.8229 32.415 81.1413 32.415 159.271 -143.144 81.1408 -143.144 50.6837 GPRESSURE: 374800 -8.01435 41.6083 132.668 -28.8016 185 69.086 113.101 -312.114 48.7208 PRESSAVG: 374800 44.9413 -47.4836 42.0899 -47.4835 -21.4688 -23.7232 42.0898 -23.7232 -3.67616 GPRESSAVG: 374800 45.033 -49.5035 40.0574 -46.7642 -19.5375 -23.4708 45.3716 -25.3262 -5.39837 TIMING: 374800 CPU: 1180.1, 0.00315538/step Wall: 1180.1, 0.00315538/step, 4.05396 hours remaining, 232.488281 MB of memory in use. ENERGY: 374800 4021.7847 20499.3565 14431.1755 256.5020 -203577.2817 2667.4159 0.0000 0.0000 51936.9779 -109764.0690 298.4825 -161701.0470 -109405.5547 299.6621 46.7105 75.2356 759941.3294 6.5988 6.6990 PRESSURE: 375000 -84.2259 -109.416 -119.746 -109.416 42.2114 26.3183 -119.747 26.3184 63.7869 GPRESSURE: 375000 53.0159 -89.3292 -120.343 -99.8208 34.1022 -16.6859 -149.191 -123.283 8.11289 PRESSAVG: 375000 64.2968 -37.3525 -2.56942 -37.3526 -19.1948 -17.2056 -2.56943 -17.2055 -11.8359 GPRESSAVG: 375000 64.526 -40.3423 -1.6392 -35.069 -18.8828 -18.3171 -5.10776 -18.1939 -12.3367 TIMING: 375000 CPU: 1180.73, 0.00317465/step Wall: 1180.73, 0.00317465/step, 4.07855 hours remaining, 232.488281 MB of memory in use. ENERGY: 375000 4024.2757 20410.4566 14431.2986 273.1173 -203489.8908 2316.7312 0.0000 0.0000 52297.4503 -109736.5611 300.5542 -162034.0114 -109375.2615 299.2555 7.2575 31.7437 758717.6773 11.0887 11.1021 PRESSURE: 375200 -76.2874 -295.637 164.524 -295.636 -94.9381 -327.081 164.525 -327.081 -387.676 GPRESSURE: 375200 -40.9813 -157.015 181.527 -95.5295 -109.55 -327.54 62.8907 -337.8 -317.013 PRESSAVG: 375200 7.42504 -62.9767 47.6824 -62.9767 0.470217 35.1792 47.6824 35.1791 12.4353 GPRESSAVG: 375200 8.11735 -58.0309 46.3954 -65.2649 -1.25763 36.6227 48.5582 36.8905 13.5323 TIMING: 375200 CPU: 1181.36, 0.00316308/step Wall: 1181.36, 0.00316308/step, 4.06351 hours remaining, 232.488281 MB of memory in use. ENERGY: 375200 3967.3295 20440.7178 14437.9930 244.3213 -203219.2808 2233.9988 0.0000 0.0000 52095.1766 -109799.7437 299.3917 -161894.9203 -109443.2336 299.6827 -186.3006 -155.8484 761213.9136 6.7769 6.7973 PRESSURE: 375400 145.957 -62.4592 -34.8811 -62.4581 -75.5424 -61.3837 -34.8805 -61.385 -22.2991 GPRESSURE: 375400 103.13 -101.946 6.85059 -61.8079 -67.1181 -38.4163 -63.9653 9.19667 103.715 PRESSAVG: 375400 38.7415 -46.5775 -29.0341 -46.5776 -27.1729 4.38033 -29.0341 4.38032 1.38782 GPRESSAVG: 375400 38.5872 -47.0202 -27.5372 -47.1201 -27.0761 4.91514 -29.409 6.26073 2.01123 TIMING: 375400 CPU: 1182, 0.003163/step Wall: 1182, 0.003163/step, 4.06323 hours remaining, 232.488281 MB of memory in use. ENERGY: 375400 4060.0460 20537.0574 14425.7911 243.5472 -203749.8008 2656.9765 0.0000 0.0000 52001.9298 -109824.4528 298.8558 -161826.3826 -109470.1680 299.0876 16.0385 46.5756 758383.8116 4.3188 4.5074 PRESSURE: 375600 -173.002 -170.977 -92.4626 -170.978 -331.334 -175.74 -92.4625 -175.74 -248.003 GPRESSURE: 375600 -196.164 -182.009 -0.322335 -99.0114 -259.368 -213.981 -139.968 -124.625 -219.128 PRESSAVG: 375600 14.7923 -23.9715 -22.7862 -23.9714 -9.24755 -9.73941 -22.7862 -9.73933 -8.92809 GPRESSAVG: 375600 14.0387 -25.8629 -23.7753 -22.9972 -7.59995 -10.8075 -23.0428 -11.1641 -9.41829 TIMING: 375600 CPU: 1182.63, 0.00316083/step Wall: 1182.63, 0.00316083/step, 4.06026 hours remaining, 232.488281 MB of memory in use. ENERGY: 375600 3962.0889 20465.8196 14507.7642 221.1424 -203197.0246 2237.2493 0.0000 0.0000 51753.3172 -110049.6431 297.4270 -161802.9603 -109692.0640 298.2365 -250.7795 -224.8864 760150.8405 -1.1278 -0.9932 PRESSURE: 375800 -22.1387 95.3093 -83.5736 95.3085 132.227 -235.918 -83.5738 -235.918 -151.03 GPRESSURE: 375800 32.5616 141.054 -47.3454 149.09 144.55 -191.853 -162.872 -187.75 -149.231 PRESSAVG: 375800 39.3256 -49.9386 -38.8582 -49.9385 -38.0032 48.9243 -38.8582 48.9242 18.83 GPRESSAVG: 375800 40.5793 -49.2059 -38.4016 -50.4958 -38.567 49.7314 -38.7336 48.3085 18.3772 TIMING: 375800 CPU: 1183.27, 0.00320468/step Wall: 1183.27, 0.00320468/step, 4.11641 hours remaining, 232.488281 MB of memory in use. ENERGY: 375800 4001.6181 20342.8921 14429.6790 230.2166 -203446.9785 2456.8405 0.0000 0.0000 51958.9998 -110026.7322 298.6091 -161985.7321 -109665.1658 298.4783 -13.6473 9.2936 761525.5641 6.7175 6.7965 PRESSURE: 376000 208.72 153.462 57.6303 153.461 -290.395 23.0421 57.63 23.0419 106.819 GPRESSURE: 376000 178.596 208.304 59.7529 119.071 -197.492 -82.5412 -43.4651 12.0514 147.108 PRESSAVG: 376000 -3.41316 -46.985 -47.6448 -46.985 -3.91007 -10.6982 -47.6447 -10.6982 3.88727 GPRESSAVG: 376000 -4.38331 -48.3129 -48.6905 -47.3521 -3.71411 -12.5324 -46.2164 -10.8321 4.53078 TIMING: 376000 CPU: 1183.91, 0.00318854/step Wall: 1183.91, 0.00318854/step, 4.09551 hours remaining, 232.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 376000 3993.5528 20336.1882 14497.9135 258.5168 -203540.8523 2457.8180 0.0000 0.0000 51999.6721 -109997.1909 298.8428 -161996.8630 -109630.7886 298.6410 8.3815 42.7373 759904.2387 -1.1453 -1.1889 PRESSURE: 376200 -18.0433 153.348 -136.902 153.347 -124.033 59.92 -136.903 59.9193 -26.182 GPRESSURE: 376200 4.71478 157.585 -110.206 190.402 -63.9977 65.3538 -187.542 91.4843 -25.3544 PRESSAVG: 376200 -5.49175 34.2143 -57.8698 34.2143 -61.9732 -39.8296 -57.8698 -39.8296 15.6505 GPRESSAVG: 376200 -4.83741 33.9727 -57.2014 36.6147 -62.1417 -39.1433 -58.9505 -37.5057 15.9669 TIMING: 376200 CPU: 1184.54, 0.00316798/step Wall: 1184.54, 0.00316798/step, 4.06892 hours remaining, 232.488281 MB of memory in use. ENERGY: 376200 4022.2914 20353.3372 14395.5590 234.9120 -202967.0517 2139.0574 0.0000 0.0000 52025.6198 -109796.2749 298.9920 -161821.8947 -109422.3443 298.6425 -56.0860 -28.2125 761043.2568 -17.2715 -17.0041 LDB: ============= START OF LOAD BALANCING ============== 1196.94 LDB: ============== END OF LOAD BALANCING =============== 1196.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1196.94 LDB: ============= START OF LOAD BALANCING ============== 1197.26 LDB: Largest compute 7048 load 0.032494 is 16.6% of average load 0.195605 LDB: Average compute 0.004381 is 2.2% of average load 0.195605 LDB: TIME 1197.27 LOAD: AVG 0.195605 MAX 0.219221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 1197.27 LOAD: AVG 0.195605 MAX 0.219221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.773 MB LDB: TIME 1197.27 LOAD: AVG 0.195605 MAX 0.215913 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.773 MB LDB: ============== END OF LOAD BALANCING =============== 1197.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1197.27 PRESSURE: 376400 -126.878 -224.98 -89.8835 -224.98 -81.0879 29.93 -89.8838 29.9299 -290.11 GPRESSURE: 376400 -274.027 -154.574 -130.368 -195.433 -38.742 -45.5261 -21.131 -51.6368 -116.02 PRESSAVG: 376400 51.8606 9.07055 -78.5323 9.07048 -0.380705 -21.7282 -78.5324 -21.7283 9.28588 GPRESSAVG: 376400 51.896 10.1509 -77.095 6.40876 -0.566997 -20.6027 -80.4884 -26.0427 9.35724 TIMING: 376400 CPU: 1185.19, 0.00325162/step Wall: 1185.19, 0.00325162/step, 4.17616 hours remaining, 232.390625 MB of memory in use. ENERGY: 376400 3985.3792 20554.4856 14374.8572 245.9602 -203402.7454 2443.9550 0.0000 0.0000 51900.7409 -109897.3675 298.2743 -161798.1083 -109532.1646 299.0840 -166.0251 -142.9297 759560.4591 20.2553 20.2288 PRESSURE: 376600 -226.772 -186.476 36.6147 -186.476 -59.5275 -86.5337 36.6142 -86.5345 -573.116 GPRESSURE: 376600 -155.779 -174.162 -16.0015 -81.9283 -171.433 -53.5953 -19.1603 -19.3503 -452.792 PRESSAVG: 376600 -38.5988 -77.335 6.41022 -77.335 -11.0221 10.5321 6.4102 10.5321 -0.379295 GPRESSAVG: 376600 -37.8495 -76.0256 3.82933 -77.8603 -10.6928 9.65133 9.31736 14.3068 -1.07805 TIMING: 376600 CPU: 1185.83, 0.00316978/step Wall: 1185.83, 0.00316978/step, 4.07088 hours remaining, 232.593750 MB of memory in use. ENERGY: 376600 3964.1209 20351.9694 14427.3106 240.5552 -202985.9509 2109.7090 0.0000 0.0000 52083.3134 -109808.9725 299.3235 -161892.2858 -109441.5796 298.7113 -286.4719 -260.0011 761755.1064 -16.6667 -16.5401 PRESSURE: 376800 198.502 -2.25485 270.848 -2.25532 80.4176 65.5788 270.848 65.5782 -265.701 GPRESSURE: 376800 243.53 35.716 269.658 -102.445 84.0537 -93.4899 408.192 -1.82533 -243.977 PRESSAVG: 376800 8.5882 -1.88048 8.67962 -1.8805 -5.96314 14.6077 8.67964 14.6077 3.11394 GPRESSAVG: 376800 7.76113 -3.10558 10.4581 -1.12139 -5.55085 14.8775 6.61101 12.5524 3.21149 TIMING: 376800 CPU: 1186.46, 0.00316538/step Wall: 1186.46, 0.00316538/step, 4.06505 hours remaining, 232.593750 MB of memory in use. ENERGY: 376800 3957.1361 20613.7007 14310.0811 246.8686 -203007.5335 2261.2071 0.0000 0.0000 51900.4528 -109718.0873 298.2726 -161618.5400 -109350.7091 298.9657 4.4064 27.8688 762296.0855 1.9130 1.8073 PRESSURE: 377000 -17.2336 -144.807 65.3746 -144.807 -426.67 -140.294 65.3751 -140.294 233.181 GPRESSURE: 377000 -21.0599 -168.746 89.0062 -96.6486 -343.844 -151.908 6.92225 18.5401 236.013 PRESSAVG: 377000 68.0614 -5.1722 -4.02157 -5.1722 -98.0091 -34.2678 -4.02156 -34.2678 3.77784 GPRESSAVG: 377000 69.0015 -3.24052 -4.52833 -4.61378 -98.9826 -36.4619 -3.04608 -32.0417 3.61892 TIMING: 377000 CPU: 1187.09, 0.00315217/step Wall: 1187.09, 0.00315217/step, 4.04791 hours remaining, 233.035156 MB of memory in use. ENERGY: 377000 3947.3557 20520.6009 14429.8448 244.0089 -203151.4450 2171.3635 0.0000 0.0000 51939.3691 -109898.9022 298.4963 -161838.2713 -109528.6937 298.7413 -70.2408 -42.9635 761828.5705 -8.7233 -8.7874 PRESSURE: 377200 155.221 129.72 47.401 129.721 0.290665 5.12388 47.4013 5.12443 -318.319 GPRESSURE: 377200 176.389 63.1876 88.2437 77.5029 43.367 37.9457 0.0460448 38.3908 -316.51 PRESSAVG: 377200 19.2481 -40.6022 29.5172 -40.6022 -53.93 -28.1422 29.5172 -28.1422 1.66946 GPRESSAVG: 377200 19.3169 -42.5114 28.7336 -41.1521 -54.8692 -27.441 28.7092 -30.9843 2.32824 TIMING: 377200 CPU: 1187.72, 0.00317721/step Wall: 1187.72, 0.00317721/step, 4.07989 hours remaining, 233.035156 MB of memory in use. ENERGY: 377200 4057.1436 20378.3487 14392.6235 235.9239 -203523.0651 2619.5459 0.0000 0.0000 51940.6365 -109898.8429 298.5036 -161839.4795 -109542.2332 298.8638 -54.2691 -32.2511 761683.4642 -11.0041 -11.0747 PRESSURE: 377400 -429.444 -33.9302 -19.6354 -33.9304 -110.244 47.4181 -19.6358 47.4184 -43.3681 GPRESSURE: 377400 -391.032 -51.1672 -49.4559 26.2563 -109.193 -48.0257 126.998 61.8922 -12.5171 PRESSAVG: 377400 -0.432325 -12.7085 1.11943 -12.7084 4.64785 16.9912 1.1194 16.9912 11.6485 GPRESSAVG: 377400 0.47011 -12.7515 0.0473243 -11.7075 5.50995 19.0636 2.12237 18.6255 10.5277 TIMING: 377400 CPU: 1188.35, 0.00314462/step Wall: 1188.35, 0.00314462/step, 4.03786 hours remaining, 233.035156 MB of memory in use. ENERGY: 377400 3947.7170 20540.8236 14481.4867 254.7594 -203745.4356 2552.8168 0.0000 0.0000 52002.6046 -109965.2275 298.8597 -161967.8321 -109606.0218 298.5763 -194.3519 -170.9141 759295.6309 5.2880 5.5026 PRESSURE: 377600 87.8487 -85.6226 74.4946 -85.6228 -164.039 97.8533 74.4945 97.8538 395.514 GPRESSURE: 377600 120.533 -121.677 107.589 -8.4976 -43.0518 -72.4941 -50.5794 0.344117 333.27 PRESSAVG: 377600 -5.1823 -29.9156 2.22873 -29.9155 12.7064 40.0916 2.22868 40.0916 12.9082 GPRESSAVG: 377600 -7.4897 -29.9817 4.19615 -29.621 13.4795 38.092 1.95277 40.2737 14.613 TIMING: 377600 CPU: 1188.98, 0.00313597/step Wall: 1188.98, 0.00313597/step, 4.02658 hours remaining, 233.035156 MB of memory in use. ENERGY: 377600 4040.9179 20398.7437 14373.3898 227.4715 -203363.2657 2411.6119 0.0000 0.0000 52061.1661 -109849.9648 299.1962 -161911.1309 -109492.1154 298.7907 106.4415 136.9173 759598.9798 6.8108 6.8676 PRESSURE: 377800 -78.0798 -280.183 -68.5086 -280.182 -59.3133 -216.459 -68.5083 -216.458 -352.261 GPRESSURE: 377800 -69.6037 -204.443 4.78899 -245.784 48.543 -189.044 -168.696 -90.9517 -377.39 PRESSAVG: 377800 -21.1722 -0.962593 -48.6749 -0.962592 -13.5826 32.1088 -48.6749 32.1088 7.89347 GPRESSAVG: 377800 -19.7834 0.0690786 -47.9018 -3.29995 -13.3345 33.4213 -49.6948 32.473 6.27292 TIMING: 377800 CPU: 1189.61, 0.00316216/step Wall: 1189.61, 0.00316216/step, 4.06004 hours remaining, 233.035156 MB of memory in use. ENERGY: 377800 3970.5114 20591.0949 14357.7840 248.6924 -203803.7842 2340.9943 0.0000 0.0000 52390.9011 -109903.8061 301.0912 -162294.7072 -109536.6299 299.2980 -163.2178 -132.8170 760499.9094 -8.9538 -8.9483 PRESSURE: 378000 -152.36 187.553 -48.0636 187.553 57.7446 2.80009 -48.0632 2.79779 -312.124 GPRESSURE: 378000 -88.8094 124.505 -6.67236 279.906 -14.1332 -56.0702 -33.2647 195.381 -208.812 PRESSAVG: 378000 -12.0654 -5.20546 -44.056 -5.20546 10.2427 -32.6409 -44.056 -32.6409 -29.7812 GPRESSAVG: 378000 -12.3845 -5.14468 -45.2898 -5.44142 9.14833 -33.2886 -42.8024 -33.5712 -28.0069 TIMING: 378000 CPU: 1190.24, 0.00314569/step Wall: 1190.24, 0.00314569/step, 4.03871 hours remaining, 233.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 378000 3986.6378 20662.5515 14474.6852 260.7203 -203507.6390 2628.6268 0.0000 0.0000 51925.2678 -109569.1495 298.4152 -161494.4173 -109208.2240 299.5943 -135.5798 -103.9180 760908.3656 -10.5346 -10.4143 PRESSURE: 378200 145.115 203.411 -84.6034 203.411 100.292 22.7441 -84.6034 22.7443 42.5671 GPRESSURE: 378200 110.839 120.096 -8.07886 119.066 188.777 119.465 -33.531 -10.793 90.0268 PRESSAVG: 378200 36.1093 47.8238 -34.8154 47.8238 0.0318245 -33.1541 -34.8153 -33.1542 0.395895 GPRESSAVG: 378200 35.2461 45.8514 -34.1968 50.0911 2.54532 -33.5078 -34.9632 -33.8422 -1.17876 TIMING: 378200 CPU: 1190.87, 0.00313868/step Wall: 1190.87, 0.00313868/step, 4.02954 hours remaining, 233.035156 MB of memory in use. ENERGY: 378200 4038.3312 20502.1897 14461.0309 245.3414 -203840.1090 2869.5163 0.0000 0.0000 51998.6542 -109725.0453 298.8370 -161723.6995 -109363.6811 298.7999 95.9912 129.8811 758727.5172 12.1790 12.2042 PRESSURE: 378400 -45.3645 -35.4413 -47.3447 -35.4398 -319.107 -31.1999 -47.3447 -31.2013 -343.291 GPRESSURE: 378400 3.62829 -35.6651 -70.1329 -38.8543 -265.757 -24.8115 -6.31136 51.1293 -351.744 PRESSAVG: 378400 -6.04501 -2.54459 -24.7203 -2.54465 25.5161 -8.82334 -24.7203 -8.82332 7.19099 GPRESSAVG: 378400 -5.93477 -2.09903 -24.2398 -3.99393 26.1026 -8.81719 -25.9385 -5.90316 6.77711 TIMING: 378400 CPU: 1191.5, 0.00315049/step Wall: 1191.5, 0.00315049/step, 4.04452 hours remaining, 233.035156 MB of memory in use. ENERGY: 378400 4008.1382 20779.1101 14469.2962 241.2932 -203305.5555 2352.8421 0.0000 0.0000 51869.7975 -109585.0781 298.0964 -161454.8757 -109219.8354 299.5355 -235.9208 -204.6243 761482.4194 8.8874 8.9816 PRESSURE: 378600 207.144 7.26248 -0.4839 7.26202 -124.298 -99.0338 -0.484363 -99.0343 74.0134 GPRESSURE: 378600 193.085 36.0422 -28.1477 130.284 -48.7498 -89.1227 118.681 -75.9144 95.7854 PRESSAVG: 378600 3.2344 -7.31965 -69.1453 -7.31966 -13.8239 -2.91912 -69.1452 -2.91912 -15.0288 GPRESSAVG: 378600 4.29987 -6.70426 -69.1275 -8.52625 -15.7818 -3.00243 -66.6807 -5.19424 -14.2227 TIMING: 378600 CPU: 1192.13, 0.00314635/step Wall: 1192.13, 0.00314635/step, 4.03904 hours remaining, 233.035156 MB of memory in use. ENERGY: 378600 3974.1208 20711.6790 14454.9247 239.9154 -203603.9345 2422.0207 0.0000 0.0000 52336.3570 -109464.9168 300.7778 -161801.2738 -109108.8132 299.8793 52.2865 80.0403 757924.1278 -8.5394 -8.5682 PRESSURE: 378800 118.964 -225.441 -23.3065 -225.44 135.688 13.8847 -23.3072 13.8839 82.0315 GPRESSURE: 378800 213.843 -196.324 -63.4376 -144.543 79.3741 -36.971 -112.14 40.6357 119.316 PRESSAVG: 378800 98.096 -54.568 2.9151 -54.5679 -32.0765 24.561 2.91516 24.561 9.6288 GPRESSAVG: 378800 98.4304 -55.3766 1.42373 -52.8462 -32.1392 23.0147 2.83749 25.4892 10.0914 TIMING: 378800 CPU: 1192.76, 0.00314634/step Wall: 1192.76, 0.00314634/step, 4.03885 hours remaining, 233.035156 MB of memory in use. ENERGY: 378800 3919.6524 20487.9176 14526.7816 256.7266 -203663.2484 2658.1500 0.0000 0.0000 52248.1063 -109565.9137 300.2706 -161814.0200 -109205.2664 300.4315 112.2280 137.5111 758904.1401 25.2161 25.4609 PRESSURE: 379000 -375.532 35.9 148.718 35.8999 -315.119 58.83 148.719 58.8313 142.176 GPRESSURE: 379000 -354.415 18.4786 150.4 35.8121 -191.732 82.8112 32.6413 -10.4298 85.8736 PRESSAVG: 379000 18.0459 -48.5225 28.3167 -48.5224 -9.18532 -26.1774 28.3168 -26.1774 -7.57294 GPRESSAVG: 379000 19.4975 -47.8973 29.1274 -48.6891 -9.10594 -25.0493 26.6703 -26.5528 -9.02651 TIMING: 379000 CPU: 1193.39, 0.00315241/step Wall: 1193.39, 0.00315241/step, 4.04647 hours remaining, 233.035156 MB of memory in use. ENERGY: 379000 3905.4515 20465.9169 14428.3460 259.3226 -203068.3045 2209.9493 0.0000 0.0000 52160.4619 -109638.8564 299.7669 -161799.3182 -109269.4101 299.3206 -182.8249 -153.4244 759851.4533 0.4292 0.4550 PRESSURE: 379200 -363.389 -120.427 -131.302 -120.427 -220.024 62.4005 -131.302 62.4007 -102.641 GPRESSURE: 379200 -338.313 12.5712 -162.551 -84.133 -150.189 102.366 -113.271 -10.736 -104.336 PRESSAVG: 379200 31.2124 -32.3591 -59.1315 -32.359 12.2178 9.45439 -59.1315 9.45439 -35.2959 GPRESSAVG: 379200 29.4865 -32.6537 -59.2069 -30.2562 11.542 8.87947 -58.994 7.98545 -33.3216 TIMING: 379200 CPU: 1194.02, 0.00316135/step Wall: 1194.02, 0.00316135/step, 4.05776 hours remaining, 233.035156 MB of memory in use. ENERGY: 379200 4023.3545 20565.3036 14494.2358 239.4408 -203065.2154 2117.9732 0.0000 0.0000 52105.5900 -109519.3176 299.4515 -161624.9076 -109167.1898 299.4325 -228.6847 -197.6129 758172.9249 2.7114 2.5690 PRESSURE: 379400 49.8951 82.173 -76.6265 82.1732 -95.1584 -225.359 -76.6259 -225.358 108.884 GPRESSURE: 379400 131.715 81.8927 5.48475 88.0451 -177.085 -184.188 -88.7163 -208.451 181.038 PRESSAVG: 379400 -21.621 -32.8328 -15.6382 -32.8328 -7.50889 -3.09772 -15.6382 -3.09775 4.74934 GPRESSAVG: 379400 -21.8958 -32.4723 -15.348 -34.8914 -6.65912 -1.9434 -13.917 -3.11083 4.02351 TIMING: 379400 CPU: 1194.65, 0.00315889/step Wall: 1194.65, 0.00315889/step, 4.05444 hours remaining, 233.035156 MB of memory in use. ENERGY: 379400 3979.8056 20572.3444 14455.7541 266.9029 -203092.1257 2211.2160 0.0000 0.0000 52265.7463 -109340.3563 300.3720 -161606.1027 -108977.8340 300.0612 21.2068 45.2225 758256.5248 -8.1269 -8.1771 PRESSURE: 379600 113.724 -12.8524 78.6542 -12.8527 293.572 -67.922 78.655 -67.9219 -618.024 GPRESSURE: 379600 73.0694 -57.7824 19.7016 -88.1031 250.927 -41.6855 58.915 -36.7023 -461.109 PRESSAVG: 379600 31.3801 22.4357 30.8159 22.4357 13.0087 -35.484 30.8159 -35.484 -3.59886 GPRESSAVG: 379600 30.2534 20.0423 31.0418 21.9769 13.6661 -36.5011 29.2958 -32.0826 -3.47618 TIMING: 379600 CPU: 1195.29, 0.00316507/step Wall: 1195.29, 0.00316507/step, 4.06219 hours remaining, 233.035156 MB of memory in use. ENERGY: 379600 3978.3255 20611.0509 14496.4905 221.1350 -203456.7679 2548.3137 0.0000 0.0000 51905.1412 -109696.3111 298.2996 -161601.4523 -109332.7786 299.8394 -70.2428 -45.7040 758512.3995 13.5966 13.4811 PRESSURE: 379800 89.0467 -16.4202 283.51 -16.4189 -181.939 20.6938 283.509 20.6944 154.985 GPRESSURE: 379800 72.6741 -48.3532 209.96 19.9671 -31.7897 76.4651 170.559 113.544 137.487 PRESSAVG: 379800 -13.9833 -7.73677 4.18599 -7.73678 4.82701 -48.8358 4.18603 -48.8358 -7.48517 GPRESSAVG: 379800 -12.4868 -5.84527 3.25335 -8.04282 5.4357 -48.0481 5.71774 -50.8692 -9.46538 TIMING: 379800 CPU: 1195.92, 0.00317152/step Wall: 1195.92, 0.00317152/step, 4.07029 hours remaining, 233.035156 MB of memory in use. ENERGY: 379800 3954.7967 20468.3913 14416.5524 248.4449 -203582.6405 2640.2562 0.0000 0.0000 52110.8968 -109743.3023 299.4820 -161854.1991 -109385.6808 299.1400 20.6976 59.4570 758920.9388 -5.5472 -5.5055 PRESSURE: 380000 -117.369 32.0302 95.7004 32.0302 -134.403 -83.9452 95.7003 -83.9454 214.98 GPRESSURE: 380000 -80.5574 -136.052 61.1551 58.5873 -80.7901 -172.13 127.922 1.02748 204.265 PRESSAVG: 380000 20.7675 -16.1999 10.2657 -16.1999 -8.47791 -0.125771 10.2657 -0.125824 -8.37718 GPRESSAVG: 380000 19.8255 -16.3036 10.8707 -15.1597 -9.2802 -0.161605 8.78186 -0.36877 -6.50459 TIMING: 380000 CPU: 1196.55, 0.00313376/step Wall: 1196.55, 0.00313376/step, 4.02165 hours remaining, 233.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 380000 3988.9581 20478.0431 14460.8047 257.4434 -203473.6869 2354.2895 0.0000 0.0000 52137.1897 -109796.9584 299.6331 -161934.1481 -109429.9853 299.6661 -12.2641 14.3058 760664.3474 1.3041 1.3469 PRESSURE: 380200 -38.5105 30.4868 117.935 30.4877 -157.446 58.7871 117.935 58.7857 71.9168 GPRESSURE: 380200 1.94549 -44.2289 94.1564 60.2545 -94.7521 -22.905 96.192 84.5782 52.3525 PRESSAVG: 380200 36.5542 -14.3206 17.513 -14.3205 -19.1797 -21.3894 17.513 -21.3894 -0.762193 GPRESSAVG: 380200 35.9869 -13.1322 17.3559 -16.0819 -19.4744 -20.7588 18.7053 -22.5483 -0.573916 TIMING: 380200 CPU: 1197.18, 0.003147/step Wall: 1197.18, 0.003147/step, 4.03848 hours remaining, 233.035156 MB of memory in use. ENERGY: 380200 3995.3028 20489.3466 14449.2223 262.3807 -203638.4837 2669.5066 0.0000 0.0000 52030.3345 -109742.3903 299.0190 -161772.7248 -109382.6602 299.0219 -41.3467 -13.4847 759226.4859 5.5374 5.3128 LDB: ============= START OF LOAD BALANCING ============== 1209.57 LDB: ============== END OF LOAD BALANCING =============== 1209.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1209.57 LDB: ============= START OF LOAD BALANCING ============== 1209.89 LDB: Largest compute 7048 load 0.032350 is 16.5% of average load 0.195745 LDB: Average compute 0.004397 is 2.2% of average load 0.195745 LDB: TIME 1209.89 LOAD: AVG 0.195745 MAX 0.217316 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.648 MB LDB: TIME 1209.89 LOAD: AVG 0.195745 MAX 0.217316 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.719 MB LDB: TIME 1209.89 LOAD: AVG 0.195745 MAX 0.217316 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.719 MB LDB: ============== END OF LOAD BALANCING =============== 1209.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1209.9 PRESSURE: 380400 228.369 -85.8961 -108.181 -85.8949 74.1873 -63.4107 -108.18 -63.4119 145.002 GPRESSURE: 380400 229.852 -14.4417 -68.9357 -70.4728 35.5926 -16.8305 -100.199 -14.5767 261.234 PRESSAVG: 380400 44.9036 -20.9815 -3.2512 -20.9815 2.65251 -2.62213 -3.25121 -2.6222 0.204204 GPRESSAVG: 380400 45.2734 -19.8941 -4.34166 -18.9358 2.62681 -4.87615 -3.09723 -2.33501 0.5314 TIMING: 380400 CPU: 1197.82, 0.00321226/step Wall: 1197.82, 0.00321226/step, 4.12205 hours remaining, 232.648438 MB of memory in use. ENERGY: 380400 3925.7844 20557.0634 14449.7425 241.2525 -203869.4775 3092.5671 0.0000 0.0000 52119.0403 -109484.0272 299.5288 -161603.0675 -109108.5226 299.4356 149.1861 175.5595 760623.2332 15.9201 16.1439 PRESSURE: 380600 -272.396 8.35041 259.986 8.35045 133.63 124.743 259.986 124.744 -139.839 GPRESSURE: 380600 -177.077 54.489 318.406 62.0027 52.5738 119.604 254.819 37.2828 -84.1621 PRESSAVG: 380600 7.76033 44.0035 45.2841 44.0035 -14.2946 -16.3292 45.2841 -16.3292 14.7439 GPRESSAVG: 380600 8.49067 41.9031 46.6495 43.7347 -14.0711 -15.5132 44.5562 -15.1735 13.3521 TIMING: 380600 CPU: 1198.45, 0.00313713/step Wall: 1198.45, 0.00313713/step, 4.02546 hours remaining, 232.941406 MB of memory in use. ENERGY: 380600 4090.4410 20578.1476 14497.9813 243.4186 -203535.8309 2527.1180 0.0000 0.0000 52229.5096 -109369.2149 300.1637 -161598.7245 -109011.9726 300.0035 -92.8684 -69.5550 759308.7586 2.7366 2.5906 PRESSURE: 380800 250.241 170.34 377.523 170.339 -5.53303 73.8807 377.523 73.8814 313.537 GPRESSURE: 380800 336.563 145.6 295.677 160.734 -12.256 136.549 397.784 62.668 307.773 PRESSAVG: 380800 48.0683 6.64471 40.3424 6.64467 -38.9093 -46.2134 40.3424 -46.2134 -12.7265 GPRESSAVG: 380800 48.6021 7.36294 40.8353 7.52147 -39.5413 -45.2963 38.18 -49.1868 -12.4856 TIMING: 380800 CPU: 1199.08, 0.00315006/step Wall: 1199.08, 0.00315006/step, 4.04188 hours remaining, 232.941406 MB of memory in use. ENERGY: 380800 3991.7871 20530.2721 14457.8045 237.2586 -203718.0013 2684.8675 0.0000 0.0000 52242.6560 -109573.3555 300.2393 -161816.0115 -109215.1853 300.5840 186.0818 210.6932 759954.1754 -1.1892 -1.1416 PRESSURE: 381000 283.898 54.6304 13.8936 54.6299 -81.2199 -71.5723 13.8932 -71.5727 130.027 GPRESSURE: 381000 387.143 1.75272 -23.9842 139.034 -65.965 -30.5862 77.0793 -78.4721 87.217 PRESSAVG: 381000 69.1907 -18.366 27.0847 -18.366 -37.5696 -67.2412 27.0848 -67.2412 -10.5102 GPRESSAVG: 381000 68.6126 -19.9804 26.2645 -17.5561 -35.7883 -68.5067 30.4446 -67.0146 -11.7329 TIMING: 381000 CPU: 1199.7, 0.00313394/step Wall: 1199.7, 0.00313394/step, 4.02102 hours remaining, 232.996094 MB of memory in use. ENERGY: 381000 3984.2203 20574.0647 14410.6020 252.3905 -203359.0844 2503.3382 0.0000 0.0000 52060.6995 -109573.7692 299.1936 -161634.4686 -109213.1416 299.6544 110.9016 136.1315 759166.5882 7.0370 7.0305 PRESSURE: 381200 -297.084 -43.6675 -190.142 -43.6665 -27.738 34.907 -190.142 34.9074 -249.5 GPRESSURE: 381200 -204.847 -96.6887 -151.062 -75.4771 -87.8082 64.0072 -132.191 165.647 -184.82 PRESSAVG: 381200 11.7513 42.4558 26.0888 42.4558 30.5605 -35.1111 26.0888 -35.111 14.7188 GPRESSAVG: 381200 13.0824 42.8864 27.247 40.0131 27.6726 -34.5415 26.1482 -34.8063 15.9248 TIMING: 381200 CPU: 1200.33, 0.00313606/step Wall: 1200.33, 0.00313606/step, 4.02357 hours remaining, 232.996094 MB of memory in use. ENERGY: 381200 3987.8740 20711.4592 14420.2523 255.6585 -203237.6362 2338.7459 0.0000 0.0000 52121.9755 -109401.6709 299.5457 -161523.6463 -109030.0220 300.3043 -191.4409 -159.1586 759373.3177 19.0102 18.8933 PRESSURE: 381400 -7.97133 162.346 110.615 162.346 -91.5254 -80.0615 110.614 -80.0616 249.847 GPRESSURE: 381400 -68.9097 73.7338 65.3526 51.0026 61.5661 -99.8878 85.9809 -77.7801 244.154 PRESSAVG: 381400 -26.0192 22.4497 42.9205 22.4496 -12.6056 -8.74003 42.9205 -8.73989 11.729 GPRESSAVG: 381400 -26.1661 22.7837 42.0698 23.0192 -11.9399 -8.8532 42.4598 -8.36349 11.3531 TIMING: 381400 CPU: 1200.96, 0.00313923/step Wall: 1200.96, 0.00313923/step, 4.02746 hours remaining, 232.996094 MB of memory in use. ENERGY: 381400 3906.9453 20523.3897 14391.5996 251.5190 -203453.3303 2550.0462 0.0000 0.0000 52518.9403 -109310.8903 301.8271 -161829.8305 -108932.8166 300.1968 50.1168 78.9367 760157.3280 -8.9653 -8.9176 PRESSURE: 381600 215.943 179.49 133.688 179.491 -68.3564 18.4161 133.688 18.4158 182.708 GPRESSURE: 381600 242.44 102.764 145.889 110.889 -17.8705 -12.0774 82.8129 -41.4168 190.796 PRESSAVG: 381600 12.6208 -22.5163 6.53417 -22.5163 -31.0463 15.0021 6.53423 15.0021 17.1956 GPRESSAVG: 381600 11.7317 -24.2253 6.38945 -25.1715 -31.0932 14.2782 5.12694 15.0136 17.1736 TIMING: 381600 CPU: 1201.58, 0.00312857/step Wall: 1201.58, 0.00312857/step, 4.01361 hours remaining, 232.996094 MB of memory in use. ENERGY: 381600 3980.0775 20615.2742 14453.0979 231.6488 -203385.6894 2620.3387 0.0000 0.0000 52250.1737 -109235.0786 300.2825 -161485.2523 -108872.4533 300.3079 110.0982 138.4551 759981.7018 -0.4100 -0.7293 PRESSURE: 381800 -125.817 -31.5028 86.775 -31.5025 445.953 -42.7368 86.7737 -42.7377 512.761 GPRESSURE: 381800 -26.0475 -160.744 102.908 -50.942 450.682 31.2725 51.0137 -108.787 496.768 PRESSAVG: 381800 44.6449 -2.2531 -6.37144 -2.25307 -22.264 42.3228 -6.37141 42.3228 10.6266 GPRESSAVG: 381800 45.6207 -0.740601 -7.45226 -0.585873 -21.7092 42.2034 -5.70545 42.3791 9.95993 TIMING: 381800 CPU: 1202.21, 0.00313929/step Wall: 1202.21, 0.00313929/step, 4.02718 hours remaining, 232.996094 MB of memory in use. ENERGY: 381800 3982.6432 20546.0794 14450.3572 224.9219 -203848.2670 3039.1300 0.0000 0.0000 52433.0625 -109172.0727 301.3335 -161605.1352 -108809.7151 300.4224 277.6322 307.1342 760579.5735 11.0025 11.2905 PRESSURE: 382000 246.362 -237.617 163.689 -237.617 -288.005 46.5861 163.69 46.5868 400.296 GPRESSURE: 382000 127.787 -169.628 155.82 -97.1879 -49.6731 48.9462 196.191 56.1767 363.158 PRESSAVG: 382000 -5.14333 31.8049 88.495 31.8049 17.7171 2.20031 88.4949 2.20032 -31.6804 GPRESSAVG: 382000 -7.93822 34.1798 89.5511 32.0237 18.8056 1.66829 86.5571 3.38996 -30.5052 TIMING: 382000 CPU: 1202.84, 0.00315391/step Wall: 1202.84, 0.00315391/step, 4.04577 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 382000 3971.7589 20516.7179 14446.3783 241.2659 -203301.5815 2529.2553 0.0000 0.0000 52386.2554 -109209.9498 301.0645 -161596.2052 -108843.9301 300.6901 119.5510 147.0905 759637.7778 -6.3688 -6.5459 PRESSURE: 382200 -289.829 340.508 227.371 340.509 -138.077 48.6752 227.37 48.6748 -113.459 GPRESSURE: 382200 -160.921 317.524 288.019 223.556 -137.191 36.0683 108.112 174.47 -148.613 PRESSAVG: 382200 10.1639 14.7149 76.4817 14.7149 -13.9967 6.37284 76.4817 6.37291 -10.3593 GPRESSAVG: 382200 10.6772 12.4721 76.0137 13.8345 -14.6904 8.45884 76.3859 4.56024 -10.1832 TIMING: 382200 CPU: 1203.47, 0.00314724/step Wall: 1203.47, 0.00314723/step, 4.03703 hours remaining, 232.996094 MB of memory in use. ENERGY: 382200 4069.4740 20588.5646 14421.2434 238.4430 -202984.6103 2409.9331 0.0000 0.0000 52161.6891 -109095.2632 299.7739 -161256.9523 -108747.9322 300.2645 -180.4550 -148.9084 759487.7792 -4.7307 -4.7321 PRESSURE: 382400 -23.4156 -122.474 26.1906 -122.475 15.203 41.8012 26.1908 41.8013 -193.308 GPRESSURE: 382400 32.6444 -247.154 12.3614 -49.0288 70.9775 189.625 -31.391 -214.138 -187.725 PRESSAVG: 382400 -6.09499 58.2737 67.8908 58.2737 27.3732 -0.11898 67.8908 -0.119005 2.89206 GPRESSAVG: 382400 -4.88996 57.6599 69.2565 60.7266 27.4413 -0.201229 70.0808 -0.0301033 1.8227 TIMING: 382400 CPU: 1204.1, 0.00313624/step Wall: 1204.1, 0.00313624/step, 4.02276 hours remaining, 232.996094 MB of memory in use. ENERGY: 382400 4017.7115 20684.3698 14425.7919 246.4581 -203148.3151 2568.0702 0.0000 0.0000 52094.8965 -109111.0170 299.3901 -161205.9135 -108739.5467 300.5900 -67.1736 -28.0345 759375.7302 8.0568 8.1247 PRESSURE: 382600 -137.511 40.2845 -90.8665 40.2851 72.9574 -38.0586 -90.8657 -38.0587 -80.0192 GPRESSURE: 382600 49.4764 -16.2462 -93.5338 59.8386 58.1149 -67.2406 -16.7852 -4.61854 -164.748 PRESSAVG: 382600 34.582 15.3534 3.15434 15.3534 -42.0144 10.9219 3.15441 10.922 -26.3957 GPRESSAVG: 382600 35.6812 15.7042 1.48693 14.8755 -42.7136 10.2218 3.58858 10.7845 -27.1349 TIMING: 382600 CPU: 1204.73, 0.00315546/step Wall: 1204.73, 0.00315546/step, 4.04723 hours remaining, 232.996094 MB of memory in use. ENERGY: 382600 3907.5414 20645.7255 14387.8365 251.5599 -203070.2573 2470.5912 0.0000 0.0000 52304.8059 -109102.1969 300.5964 -161407.0029 -108742.9702 299.7608 -48.1908 -19.0523 760259.5354 -11.2760 -11.3891 PRESSURE: 382800 42.2225 20.9103 -152.431 20.9096 -281.777 -42.9336 -152.432 -42.9342 -11.1134 GPRESSURE: 382800 -4.37986 39.4384 -142.786 58.6834 -220.345 -51.5395 -123.393 32.0988 55.7977 PRESSAVG: 382800 -28.7069 19.6993 -12.73 19.6992 -10.0829 -22.4969 -12.73 -22.4969 5.66568 GPRESSAVG: 382800 -29.4968 18.9886 -12.0089 18.7415 -10.3748 -23.064 -14.2894 -20.1056 6.62446 TIMING: 382800 CPU: 1205.36, 0.00313623/step Wall: 1205.36, 0.00313624/step, 4.0224 hours remaining, 232.996094 MB of memory in use. ENERGY: 382800 3968.5505 20503.5562 14434.1435 251.3776 -202847.5089 2428.0252 0.0000 0.0000 52053.5437 -109208.3122 299.1524 -161261.8559 -108862.5395 300.0352 -83.5561 -56.3090 762432.4089 -11.0414 -11.0824 PRESSURE: 383000 147.238 -5.11431 62.4589 -5.11418 -37.3695 3.43186 62.4585 3.43131 34.8732 GPRESSURE: 383000 252.513 -124.609 -66.326 -28.1855 52.8731 -22.4456 125.398 -84.4219 -75.8811 PRESSAVG: 383000 28.7717 -3.57008 16.8049 -3.5701 -22.366 22.7291 16.8049 22.7291 23.2269 GPRESSAVG: 383000 28.3136 -1.80663 15.9148 -4.16976 -21.348 21.2997 16.8394 21.6199 22.9541 TIMING: 383000 CPU: 1205.99, 0.00316596/step Wall: 1205.99, 0.00316595/step, 4.06034 hours remaining, 232.996094 MB of memory in use. ENERGY: 383000 3916.5623 20508.6724 14477.0505 228.8020 -203188.4325 2373.1157 0.0000 0.0000 52574.0435 -109110.1860 302.1438 -161684.2295 -108743.3100 300.2345 48.2471 76.5016 760209.7742 9.8776 9.9733 PRESSURE: 383200 -149.894 -133.796 -126.142 -133.796 50.8681 166.998 -126.142 166.999 32.5026 GPRESSURE: 383200 -41.2036 -213.415 -110.35 -130.487 91.5124 187.974 -119.73 -9.12897 -25.1794 PRESSAVG: 383200 -22.1124 44.8967 31.2469 44.8967 24.1769 -29.1698 31.2469 -29.1698 23.9027 GPRESSAVG: 383200 -19.7472 44.5422 34.1673 44.6719 23.4274 -26.1871 31.7671 -31.8058 22.3787 TIMING: 383200 CPU: 1206.62, 0.00314705/step Wall: 1206.62, 0.00314706/step, 4.03592 hours remaining, 232.996094 MB of memory in use. ENERGY: 383200 4018.2269 20499.3689 14455.3999 235.3521 -203072.9395 2335.6839 0.0000 0.0000 52285.3668 -109243.5409 300.4847 -161528.9077 -108889.8636 300.9090 -22.1744 8.3765 759108.2774 8.6557 8.6863 PRESSURE: 383400 485.8 -325.201 101.16 -325.202 699.507 -308.974 101.159 -308.974 -191.495 GPRESSURE: 383400 490.668 -98.0267 65.2516 -240.693 763.316 -132.765 -12.6634 -401.264 -179.221 PRESSAVG: 383400 0.676226 7.95125 28.3893 7.95127 48.7599 12.7673 28.3893 12.7674 -19.8575 GPRESSAVG: 383400 -1.1035 6.52459 26.9789 10.1211 49.6743 12.5276 28.9663 14.6131 -18.7259 TIMING: 383400 CPU: 1207.25, 0.00314652/step Wall: 1207.25, 0.00314652/step, 4.03507 hours remaining, 232.996094 MB of memory in use. ENERGY: 383400 3977.2610 20559.0014 14350.3244 236.0550 -203439.3331 2740.8231 0.0000 0.0000 52358.7265 -109217.1417 300.9063 -161575.8682 -108856.7013 300.6745 331.2709 358.2543 757951.7641 9.8596 9.9483 PRESSURE: 383600 131.357 -44.4466 141.847 -44.447 -173.767 -30.1897 141.846 -30.1909 -316.601 GPRESSURE: 383600 159.451 80.5152 206.16 -44.2812 -140.08 -76.5353 169.982 -120.524 -287.686 PRESSAVG: 383600 18.5931 43.0616 11.5218 43.0616 -62.7596 -58.6796 11.5219 -58.6796 3.19587 GPRESSAVG: 383600 18.7455 42.7896 13.3206 41.8718 -64.1658 -59.0242 9.10929 -59.863 3.82401 TIMING: 383600 CPU: 1207.87, 0.00311663/step Wall: 1207.87, 0.00311663/step, 3.99656 hours remaining, 232.996094 MB of memory in use. ENERGY: 383600 4151.0454 20580.1938 14349.4474 245.6408 -202864.8309 2443.9356 0.0000 0.0000 51705.3237 -109389.2442 297.1512 -161094.5679 -109038.1262 299.5800 -119.6703 -89.4385 760412.6101 -13.6569 -13.8654 PRESSURE: 383800 -141.131 -160.353 -40.6913 -160.353 507.743 119.173 -40.6909 119.174 -44.1323 GPRESSURE: 383800 -75.3969 -118.516 -122.258 -125.508 533.64 64.7123 40.9658 34.8676 -47.3981 PRESSAVG: 383800 -23.6398 8.57242 -6.71742 8.57241 62.2603 -81.0332 -6.7174 -81.0332 -8.68476 GPRESSAVG: 383800 -23.478 8.80828 -8.60237 7.7501 64.2317 -80.9305 -5.93269 -79.6693 -10.5734 TIMING: 383800 CPU: 1208.5, 0.00314844/step Wall: 1208.5, 0.00314844/step, 4.03717 hours remaining, 232.996094 MB of memory in use. ENERGY: 383800 4012.3484 20499.1047 14406.3779 239.1663 -203415.3819 2434.8082 0.0000 0.0000 52020.9633 -109802.6132 298.9652 -161823.5765 -109444.3710 299.3963 107.4932 136.9484 760011.4315 9.9786 10.0601 PRESSURE: 384000 121.511 105.992 -287.139 105.992 76.7097 10.8254 -287.14 10.8254 -8.02393 GPRESSURE: 384000 233.182 130.106 -333.841 -44.015 3.74622 75.5221 -121.748 -78.3962 21.5226 PRESSAVG: 384000 -12.4415 12.7361 -17.5986 12.7361 11.1342 -16.1879 -17.5987 -16.188 -2.1425 GPRESSAVG: 384000 -12.6438 13.8096 -18.5338 11.3169 9.70223 -16.5637 -16.5089 -15.9602 -0.365962 TIMING: 384000 CPU: 1209.13, 0.00315309/step Wall: 1209.13, 0.00315309/step, 4.04296 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 384000 3934.9724 20367.4895 14449.9849 254.5797 -203237.7516 2307.8442 0.0000 0.0000 52195.0533 -109727.8275 299.9657 -161922.8808 -109361.0038 299.2598 63.3990 86.1502 759205.0847 -1.1500 -1.1025 PRESSURE: 384200 -190.242 -255.127 129.224 -255.127 160.797 172.023 129.224 172.022 323.297 GPRESSURE: 384200 -128.42 -258.304 134.907 -176.805 213.421 163.307 162.928 80.7783 299.635 PRESSAVG: 384200 -17.5073 -12.3964 -8.81281 -12.3964 4.58934 -25.7907 -8.81283 -25.7907 8.37786 GPRESSAVG: 384200 -16.1444 -14.0056 -7.27394 -9.25301 4.10825 -24.4704 -9.4537 -26.9727 7.42406 TIMING: 384200 CPU: 1209.76, 0.00314636/step Wall: 1209.76, 0.00314636/step, 4.03416 hours remaining, 232.996094 MB of memory in use. ENERGY: 384200 3908.4720 20518.0153 14348.7254 237.6241 -203142.7542 2352.7957 0.0000 0.0000 52302.4800 -109474.6419 300.5831 -161777.1218 -109109.3541 299.3593 97.9506 128.2120 758673.8111 -1.5134 -1.5374 LDB: ============= START OF LOAD BALANCING ============== 1222.16 LDB: ============== END OF LOAD BALANCING =============== 1222.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1222.16 LDB: ============= START OF LOAD BALANCING ============== 1222.49 LDB: Largest compute 7049 load 0.030240 is 15.5% of average load 0.195594 LDB: Average compute 0.004395 is 2.2% of average load 0.195594 LDB: TIME 1222.49 LOAD: AVG 0.195594 MAX 0.219897 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 1222.49 LOAD: AVG 0.195594 MAX 0.219897 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: TIME 1222.49 LOAD: AVG 0.195594 MAX 0.219897 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1222.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1222.5 PRESSURE: 384400 140.488 -28.2023 145.508 -28.2027 142.788 111.591 145.509 111.59 490.771 GPRESSURE: 384400 263.839 3.55888 103.469 78.2765 210.83 56.8657 221.836 111.376 409.024 PRESSAVG: 384400 11.8673 -13.2904 11.8451 -13.2904 46.3451 -26.6842 11.8451 -26.6842 25.8473 GPRESSAVG: 384400 11.327 -12.0456 10.2796 -12.9971 46.0009 -27.7054 12.5299 -25.7684 26.8913 TIMING: 384400 CPU: 1210.41, 0.00325444/step Wall: 1210.41, 0.00325444/step, 4.17255 hours remaining, 232.558594 MB of memory in use. ENERGY: 384400 4048.8427 20229.4430 14438.4013 250.0437 -203461.5372 2682.6926 0.0000 0.0000 52476.1367 -109335.9771 301.5811 -161812.1139 -108971.1123 300.1807 258.0157 294.5643 759937.8256 28.0199 28.0731 PRESSURE: 384600 -202.259 -190.344 52.9929 -190.343 16.7436 -180.237 52.993 -180.238 85.9209 GPRESSURE: 384600 -133.036 -171.179 70.1792 -310.9 13.6963 -229.055 20.9555 -172.309 104.534 PRESSAVG: 384600 -25.2014 -9.67545 -38.9859 -9.67547 20.1054 -52.2375 -38.986 -52.2376 2.92704 GPRESSAVG: 384600 -26.1449 -8.82992 -36.7655 -11.5777 21.8772 -50.2463 -41.5424 -53.7976 2.17841 TIMING: 384600 CPU: 1211.05, 0.0031708/step Wall: 1211.05, 0.0031708/step, 4.06515 hours remaining, 232.593750 MB of memory in use. ENERGY: 384600 4046.8769 20487.1770 14408.9904 250.5687 -202786.1814 2289.1981 0.0000 0.0000 52143.2870 -109160.0833 299.6682 -161303.3703 -108800.6533 300.0439 -33.1983 -4.9354 759853.9826 -0.7230 -0.6964 PRESSURE: 384800 174.949 58.9209 42.2294 58.9208 123.702 43.7802 42.2301 43.7803 -125.56 GPRESSURE: 384800 191.104 44.3874 51.2996 -114.327 73.9753 171.775 24.6351 110.544 -12.8398 PRESSAVG: 384800 -6.59797 -56.1715 -57.8948 -56.1716 -14.6942 -35.5757 -57.8948 -35.5757 5.99464 GPRESSAVG: 384800 -6.17495 -58.4244 -60.9773 -55.3445 -16.688 -37.7543 -55.8893 -34.6182 7.51589 TIMING: 384800 CPU: 1211.68, 0.0031536/step Wall: 1211.68, 0.0031536/step, 4.04291 hours remaining, 232.593750 MB of memory in use. ENERGY: 384800 3942.5210 20602.0883 14429.8843 254.7333 -202968.1074 2271.9159 0.0000 0.0000 52187.8934 -109279.0710 299.9245 -161466.9645 -108918.8788 300.0975 57.6966 84.0798 760159.9907 -5.0992 -5.1157 PRESSURE: 385000 200.891 69.3029 67.2735 69.3028 320.194 212.819 67.2735 212.817 98.4564 GPRESSURE: 385000 274.1 55.3998 65.3527 81.9655 318.144 181.925 95.1101 223.44 123.782 PRESSAVG: 385000 -13.0951 -60.6785 -41.5154 -60.6785 50.3003 31.8723 -41.5154 31.8722 -0.796864 GPRESSAVG: 385000 -13.2555 -59.1572 -41.2531 -61.6565 52.2383 33.29 -41.7476 31.7158 -2.5372 TIMING: 385000 CPU: 1212.3, 0.00313331/step Wall: 1212.3, 0.00313331/step, 4.01673 hours remaining, 232.593750 MB of memory in use. ENERGY: 385000 3942.1041 20571.1271 14425.6651 255.4956 -203510.7662 2679.0608 0.0000 0.0000 52130.8205 -109506.4930 299.5965 -161637.3136 -109141.0111 299.7340 206.5136 238.6755 758333.3541 12.1361 12.1485 PRESSURE: 385200 -510.882 9.71488 -52.7073 9.71435 -379.187 103.319 -52.7066 103.319 -344.472 GPRESSURE: 385200 -483.549 -30.7004 -91.0161 101.32 -298.768 100.881 75.2201 103.185 -372.042 PRESSAVG: 385200 -0.823662 -12.7058 -45.5523 -12.7057 0.404292 -38.8879 -45.5523 -38.8879 -9.84332 GPRESSAVG: 385200 -0.474852 -13.1307 -45.0447 -11.7556 -0.0508409 -39.6571 -45.7486 -37.704 -9.47011 TIMING: 385200 CPU: 1212.93, 0.00313383/step Wall: 1212.93, 0.00313384/step, 4.01723 hours remaining, 232.593750 MB of memory in use. ENERGY: 385200 3993.0876 20441.4247 14432.7903 245.3746 -203475.8998 2447.3841 0.0000 0.0000 52364.2938 -109551.5448 300.9383 -161915.8385 -109182.2791 299.8156 -411.5137 -384.7864 758765.4781 -3.4209 -3.3319 PRESSURE: 385400 -172.651 -126.449 207.534 -126.448 -163.491 14.1511 207.533 14.1514 -55.0503 GPRESSURE: 385400 -144.725 -28.3853 173.522 -98.7906 -156.609 -185.825 151.748 -10.836 11.2628 PRESSAVG: 385400 11.7504 -41.5821 -40.8342 -41.5821 -2.62491 -5.6196 -40.8342 -5.61963 -7.61419 GPRESSAVG: 385400 11.6238 -41.3882 -41.1946 -41.6074 -4.04575 -4.23584 -39.6824 -8.47975 -6.39406 TIMING: 385400 CPU: 1213.56, 0.00313246/step Wall: 1213.56, 0.00313246/step, 4.0153 hours remaining, 232.593750 MB of memory in use. ENERGY: 385400 3933.3416 20577.3882 14375.3019 255.6384 -203093.1856 2572.3248 0.0000 0.0000 51867.4408 -109511.7500 298.0829 -161379.1909 -109163.5011 299.7787 -130.3976 -96.6905 759449.2498 0.5038 0.3947 PRESSURE: 385600 548.288 -130.731 -33.7779 -130.731 -62.6682 -187.961 -33.7786 -187.96 -50.0406 GPRESSURE: 385600 533.459 -110.127 -45.7893 -295.883 61.8979 -248.401 -12.3112 -114.513 -73.3901 PRESSAVG: 385600 21.4055 -52.3422 22.1363 -52.3422 -31.747 25.7059 22.1362 25.7059 9.19409 GPRESSAVG: 385600 20.2143 -51.8156 22.9133 -53.7395 -30.322 23.8536 21.6426 27.8879 8.89154 TIMING: 385600 CPU: 1214.19, 0.00314521/step Wall: 1214.19, 0.00314521/step, 4.03146 hours remaining, 232.593750 MB of memory in use. ENERGY: 385600 3965.7415 20515.5542 14379.9038 256.0891 -203259.5556 2556.2650 0.0000 0.0000 52001.8058 -109584.1961 298.8551 -161586.0019 -109224.9910 299.9213 145.1930 173.9889 759536.2076 -0.3825 -0.4054 PRESSURE: 385800 -173.356 -82.9059 77.8497 -82.9061 422.45 -3.44062 77.8501 -3.43943 -31.2838 GPRESSURE: 385800 -61.8063 -70.3186 -15.7963 -17.1451 341.279 4.68834 88.5479 -143.184 -2.17231 PRESSAVG: 385800 24.1951 -56.8497 1.03258 -56.8497 -31.8983 -18.9256 1.03258 -18.9256 -13.1427 GPRESSAVG: 385800 25.0172 -56.8509 1.87097 -55.4454 -31.8597 -19.0154 -0.451714 -19.1972 -13.6969 TIMING: 385800 CPU: 1214.81, 0.00313473/step Wall: 1214.81, 0.00313473/step, 4.01785 hours remaining, 232.593750 MB of memory in use. ENERGY: 385800 4005.7769 20431.5424 14390.8286 253.8043 -203092.9282 2252.3486 0.0000 0.0000 52068.6490 -109689.9786 299.2392 -161758.6276 -109323.7597 298.9831 72.6034 92.4335 759520.5283 -6.9486 -6.8465 PRESSURE: 386000 256.908 -119.804 77.3575 -119.803 15.2638 131.056 77.3582 131.056 432.385 GPRESSURE: 386000 304.418 -227.86 131.521 -67.205 40.0951 98.8727 9.4245 65.7432 430.792 PRESSAVG: 386000 21.7043 -28.4508 -61.416 -28.4509 -3.84894 43.7351 -61.416 43.735 20.5283 GPRESSAVG: 386000 21.9462 -28.2824 -62.6245 -29.5382 -3.772 44.7059 -59.6596 43.0695 20.2996 TIMING: 386000 CPU: 1215.44, 0.00315414/step Wall: 1215.44, 0.00315414/step, 4.04255 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 386000 3954.9043 20537.1077 14488.2074 247.5943 -203516.4452 2578.4140 0.0000 0.0000 52162.2768 -109547.9406 299.7773 -161710.2174 -109190.6100 299.4436 234.8523 258.4351 759339.8185 12.7946 12.8246 PRESSURE: 386200 104.714 62.8584 -74.4698 62.8588 134.303 -48.2986 -74.4695 -48.298 177.343 GPRESSURE: 386200 191.059 83.7379 -30.284 -40.8391 93.4435 -79.5477 -78.9362 -164.696 211.53 PRESSAVG: 386200 63.6176 -21.7807 -16.5583 -21.7806 -34.4328 -2.52789 -16.5582 -2.52796 19.4152 GPRESSAVG: 386200 63.9182 -23.7387 -15.7504 -23.7705 -35.9223 -2.84401 -15.9508 -1.11892 20.3694 TIMING: 386200 CPU: 1216.07, 0.00314186/step Wall: 1216.07, 0.00314186/step, 4.02665 hours remaining, 232.593750 MB of memory in use. ENERGY: 386200 4005.9751 20416.3436 14415.9245 259.4791 -203432.3564 2636.3759 0.0000 0.0000 52056.1510 -109642.1073 299.1674 -161698.2583 -109275.8351 299.4653 138.7866 165.3443 759458.5188 16.2000 16.1217 PRESSURE: 386400 -86.4563 -159.616 -111.946 -159.616 -289.796 -3.14494 -111.947 -3.14485 -336.222 GPRESSURE: 386400 -90.8619 -2.31205 -4.29375 -140.581 -258.387 -0.872505 -122.091 29.0356 -291.517 PRESSAVG: 386400 52.8932 -47.5245 -8.6161 -47.5245 -42.0679 -18.6355 -8.61617 -18.6356 -8.41164 GPRESSAVG: 386400 51.9456 -47.2955 -8.61717 -45.0387 -40.7192 -19.4943 -9.87963 -19.1323 -9.26234 TIMING: 386400 CPU: 1216.7, 0.00313458/step Wall: 1216.7, 0.00313458/step, 4.01714 hours remaining, 232.593750 MB of memory in use. ENERGY: 386400 3898.9525 20619.9967 14459.3239 263.4393 -203480.2417 2535.2857 0.0000 0.0000 52135.7293 -109567.5144 299.6248 -161703.2436 -109204.1883 299.3537 -237.4914 -213.5887 760372.4396 0.8046 0.6547 PRESSURE: 386600 -209.216 122.461 -62.0665 122.461 -30.5293 66.0816 -62.0661 66.0816 56.6314 GPRESSURE: 386600 -135.924 135.85 -70.3674 166.509 -37.1307 46.1304 -12.9924 -32.0268 86.2128 PRESSAVG: 386600 -12.8486 1.666 6.81352 1.66602 -3.58156 -1.72411 6.81344 -1.72403 13.0746 GPRESSAVG: 386600 -12.4648 4.22939 7.17068 2.09254 -2.98827 -1.53697 6.62621 -2.87612 12.2664 TIMING: 386600 CPU: 1217.33, 0.00312701/step Wall: 1217.33, 0.00312701/step, 4.00726 hours remaining, 232.593750 MB of memory in use. ENERGY: 386600 3943.9334 20488.9895 14427.0544 242.0077 -203181.9769 2271.7110 0.0000 0.0000 52259.7605 -109548.5204 300.3376 -161808.2809 -109177.5471 299.5241 -61.0380 -28.9471 760464.6258 -1.1185 -1.0622 PRESSURE: 386800 -305.932 56.8172 29.4461 56.8176 -2.1097 57.9948 29.446 57.995 33.6369 GPRESSURE: 386800 -274.377 73.1348 -59.7666 -62.5277 19.086 117.665 135.485 12.2802 85.6879 PRESSAVG: 386800 7.86708 -18.1234 9.91441 -18.1234 -16.8993 0.196013 9.91448 0.196003 -18.3459 GPRESSAVG: 386800 7.18261 -21.7337 10.0315 -18.7156 -17.2698 0.390447 10.4301 2.17891 -17.6871 TIMING: 386800 CPU: 1217.95, 0.00312122/step Wall: 1217.95, 0.00312123/step, 3.99968 hours remaining, 232.593750 MB of memory in use. ENERGY: 386800 4019.8217 20433.0877 14509.4056 242.6861 -203127.7612 2486.3296 0.0000 0.0000 52081.1685 -109355.2620 299.3112 -161436.4304 -108991.8685 299.8477 -91.4682 -56.5344 759003.0164 -9.1260 -9.2581 PRESSURE: 387000 97.1843 -107.888 21.0663 -107.887 -283.697 -168.483 21.0666 -168.482 -644.752 GPRESSURE: 387000 66.3128 -84.4051 -39.0679 -152.949 -220.217 -187.889 96.8423 -112.56 -592.329 PRESSAVG: 387000 -27.5791 -33.2926 50.1287 -33.2927 41.4037 30.8667 50.1286 30.8667 13.6892 GPRESSAVG: 387000 -27.056 -30.9619 51.1599 -33.4716 39.8922 30.2766 48.9486 30.3782 14.2961 TIMING: 387000 CPU: 1218.57, 0.00311643/step Wall: 1218.57, 0.00311643/step, 3.99336 hours remaining, 232.593750 MB of memory in use. ENERGY: 387000 4002.5262 20577.2162 14419.3720 280.7368 -202737.2724 1995.6800 0.0000 0.0000 52099.6150 -109362.1262 299.4172 -161461.7411 -109003.2717 299.8148 -277.0884 -248.7443 760456.5043 9.1713 9.0441 PRESSURE: 387200 -22.1361 -15.087 31.631 -15.0865 -277.842 -155.49 31.6309 -155.49 67.0225 GPRESSURE: 387200 -63.6565 -78.1735 46.394 -42.1151 -146.046 -254.795 27.9468 -154.746 71.645 PRESSAVG: 387200 -7.17396 -27.0372 -46.346 -27.0373 22.8551 -34.4933 -46.3461 -34.4933 -12.6219 GPRESSAVG: 387200 -8.26806 -26.3805 -48.0245 -28.1227 24.5678 -33.8589 -44.1659 -35.5949 -12.6471 TIMING: 387200 CPU: 1219.2, 0.00312225/step Wall: 1219.2, 0.00312225/step, 4.00064 hours remaining, 232.593750 MB of memory in use. ENERGY: 387200 4015.0963 20500.3704 14448.4121 255.3719 -203068.8423 2312.0943 0.0000 0.0000 51999.6952 -109537.8022 298.8430 -161537.4974 -109180.7934 299.7807 -77.6517 -46.0193 761062.7986 1.0198 1.2175 PRESSURE: 387400 -26.1751 274.253 -99.2627 274.253 85.2407 -186.24 -99.263 -186.24 329.345 GPRESSURE: 387400 36.8033 235.452 -78.1494 269.95 36.8473 -164.342 -154.592 -107.836 422.802 PRESSAVG: 387400 18.4294 -11.202 -5.35358 -11.202 14.4895 -33.9187 -5.35361 -33.9187 1.55805 GPRESSAVG: 387400 17.746 -11.4675 -5.20092 -9.25974 14.0969 -33.5347 -6.48067 -32.8996 2.50873 TIMING: 387400 CPU: 1219.83, 0.00314257/step Wall: 1219.83, 0.00314257/step, 4.0265 hours remaining, 232.593750 MB of memory in use. ENERGY: 387400 3986.4428 20470.0315 14429.2152 241.9239 -203280.2170 2448.2501 0.0000 0.0000 52264.6354 -109439.7180 300.3656 -161704.3534 -109082.2212 299.7578 129.4703 165.4842 759696.9125 11.4923 11.4506 PRESSURE: 387600 -214.703 -29.5604 84.4988 -29.5618 -390.142 -17.7589 84.4977 -17.7588 -138.898 GPRESSURE: 387600 -215.153 26.4035 72.2993 -87.0593 -311.199 33.0754 19.6999 -32.0208 -133.511 PRESSAVG: 387600 35.3898 -50.5112 -54.8134 -50.5112 -37.183 -12.4507 -54.8134 -12.4506 2.39879 GPRESSAVG: 387600 38.3238 -49.7253 -54.325 -52.7308 -38.3839 -11.8743 -56.1329 -12.8773 0.337127 TIMING: 387600 CPU: 1220.46, 0.00316544/step Wall: 1220.46, 0.00316544/step, 4.05563 hours remaining, 232.593750 MB of memory in use. ENERGY: 387600 3997.1856 20617.1556 14457.7934 255.1335 -202814.6540 1947.0012 0.0000 0.0000 52237.3519 -109303.0328 300.2088 -161540.3846 -108937.3733 299.5485 -247.9146 -219.9545 758756.0564 0.2019 0.0923 PRESSURE: 387800 -283.245 112.554 -48.5681 112.554 -231.374 46.9796 -48.5678 46.9791 13.6229 GPRESSURE: 387800 -386.737 18.1276 -39.6831 165.428 -89.8008 138.881 74.7055 65.9554 48.3247 PRESSAVG: 387800 47.7411 -3.38646 -10.4529 -3.38644 -12.2271 -23.8994 -10.4529 -23.8994 -0.0172437 GPRESSAVG: 387800 46.1738 -6.01451 -9.31428 -0.459669 -11.285 -26.3015 -10.9476 -22.5366 0.357282 TIMING: 387800 CPU: 1221.09, 0.00313065/step Wall: 1221.09, 0.00313065/step, 4.01088 hours remaining, 232.593750 MB of memory in use. ENERGY: 387800 4116.8178 20458.5034 14434.1887 267.1147 -202637.6484 1928.9139 0.0000 0.0000 52226.8250 -109205.2849 300.1483 -161432.1099 -108838.9385 300.1863 -166.9985 -142.7379 760188.5027 11.8323 11.7487 PRESSURE: 388000 -19.6946 196.449 -107.476 196.448 -156.41 176.43 -107.476 176.43 209.214 GPRESSURE: 388000 -20.5909 177.427 -133.448 98.1317 -132.326 203.983 -0.800169 117.014 286.038 PRESSAVG: 388000 14.8917 -41.9174 38.4034 -41.9174 -23.6211 -33.9368 38.4034 -33.9369 -8.9559 GPRESSAVG: 388000 15.396 -40.7707 36.5712 -43.3704 -23.4933 -32.5332 40.6774 -34.0673 -8.84472 TIMING: 388000 CPU: 1221.71, 0.00314623/step Wall: 1221.71, 0.00314623/step, 4.03067 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 388000 3994.4360 20646.9855 14404.8354 256.8798 -203135.2258 2386.6119 0.0000 0.0000 52133.5628 -109311.9144 299.6123 -161445.4772 -108949.5196 300.1999 11.0364 44.3738 760747.2662 -5.8951 -5.6474 PRESSURE: 388200 208.579 -36.0708 -1.66276 -36.071 369.082 36.9545 -1.66289 36.9545 64.4548 GPRESSURE: 388200 246.641 -113.236 65.5029 -89.505 350.176 9.13586 -20.8095 -43.7521 115.346 PRESSAVG: 388200 -27.2921 -18.0224 -1.02843 -18.0224 48.4125 24.011 -1.02837 24.0109 0.802346 GPRESSAVG: 388200 -28.3209 -18.1305 -0.194432 -16.4355 48.8721 24.7449 -1.13372 22.5406 0.907091 TIMING: 388200 CPU: 1222.34, 0.00313313/step Wall: 1222.34, 0.00313313/step, 4.01372 hours remaining, 232.593750 MB of memory in use. ENERGY: 388200 3975.2978 20507.0019 14414.5609 255.2586 -203110.8950 2491.9203 0.0000 0.0000 52425.3782 -109041.4773 301.2894 -161466.8555 -108673.4386 300.6271 214.0384 237.3877 759900.7671 7.3076 7.1528 LDB: ============= START OF LOAD BALANCING ============== 1234.74 LDB: ============== END OF LOAD BALANCING =============== 1234.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1234.74 LDB: ============= START OF LOAD BALANCING ============== 1235.05 LDB: Largest compute 7073 load 0.031783 is 16.2% of average load 0.195645 LDB: Average compute 0.004404 is 2.3% of average load 0.195645 LDB: TIME 1235.06 LOAD: AVG 0.195645 MAX 0.218553 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.059 MB LDB: TIME 1235.06 LOAD: AVG 0.195645 MAX 0.218553 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.062 MB LDB: TIME 1235.06 LOAD: AVG 0.195645 MAX 0.218553 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.062 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1235.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1235.06 PRESSURE: 388400 115.372 -186.06 -3.64564 -186.06 108.125 167.012 -3.64665 167.012 288.967 GPRESSURE: 388400 113.746 -179.465 -26.8123 -130.032 229.901 142.726 154.484 133.45 265.196 PRESSAVG: 388400 -30.036 -18.1367 27.1824 -18.1367 9.81513 17.7779 27.1824 17.7779 17.4794 GPRESSAVG: 388400 -30.0455 -17.8861 27.7125 -17.7169 9.95193 15.5269 26.4797 17.0182 16.7351 TIMING: 388400 CPU: 1222.98, 0.00319672/step Wall: 1222.98, 0.00319672/step, 4.095 hours remaining, 232.890625 MB of memory in use. ENERGY: 388400 4063.6885 20543.6892 14420.7777 252.6202 -203155.8948 2766.7504 0.0000 0.0000 52098.3785 -109009.9904 299.4101 -161108.3689 -108652.2044 300.5789 170.8214 202.9475 760207.4991 -0.9138 -1.1195 PRESSURE: 388600 -260.324 7.34635 -43.5015 7.34629 -494.428 87.6796 -43.5028 87.6791 99.6666 GPRESSURE: 388600 -181.078 -4.48437 -63.6603 14.5184 -416.584 96.0188 -13.8083 -26.4487 24.3849 PRESSAVG: 388600 7.99087 12.3048 -14.9458 12.3048 -6.72926 13.0861 -14.9458 13.0861 -20.0722 GPRESSAVG: 388600 8.44435 13.1234 -16.6519 10.3414 -8.01414 15.2855 -13.4933 13.1449 -19.6158 TIMING: 388600 CPU: 1223.6, 0.00311607/step Wall: 1223.6, 0.00311607/step, 3.99152 hours remaining, 232.851562 MB of memory in use. ENERGY: 388600 4005.0628 20470.6369 14466.4171 252.6152 -202885.3321 2289.5299 0.0000 0.0000 52315.8433 -109085.2270 300.6599 -161401.0703 -108712.8039 300.4677 -218.3616 -191.0923 760106.9510 -6.2702 -6.3952 PRESSURE: 388800 -10.3597 50.4559 105.434 50.4553 -73.8961 -88.8733 105.434 -88.8742 266.6 GPRESSURE: 388800 36.6715 -48.3341 32.4512 77.6172 -62.3115 36.2055 88.4782 -14.4591 274.613 PRESSAVG: 388800 17.8319 -42.9871 27.3493 -42.9871 17.339 11.2195 27.3492 11.2196 31.4167 GPRESSAVG: 388800 18.0513 -45.515 26.2604 -42.2382 16.9433 10.9456 27.549 14.4498 30.8863 TIMING: 388800 CPU: 1224.23, 0.00311309/step Wall: 1224.23, 0.00311309/step, 3.98753 hours remaining, 232.851562 MB of memory in use. ENERGY: 388800 4010.2843 20479.6511 14524.2301 243.6493 -202825.6522 2150.2445 0.0000 0.0000 52169.1867 -109248.4063 299.8170 -161417.5929 -108889.9033 300.3151 60.7813 82.9910 760439.2829 22.1958 21.9603 PRESSURE: 389000 209.053 -64.3477 -209.383 -64.349 38.5191 51.3602 -209.383 51.3592 286.675 GPRESSURE: 389000 241.55 -116.743 -239.643 76.0237 92.1332 115.376 -86.3446 17.7327 281.018 PRESSAVG: 389000 24.5609 -61.9899 -13.1494 -61.9899 16.0299 22.9255 -13.1495 22.9254 18.9491 GPRESSAVG: 389000 24.1198 -60.6213 -12.3495 -60.5901 17.2361 24.2039 -11.3216 21.1449 18.3669 TIMING: 389000 CPU: 1224.85, 0.00313371/step Wall: 1224.85, 0.0031337/step, 4.01375 hours remaining, 232.851562 MB of memory in use. ENERGY: 389000 4004.6396 20578.0499 14461.6565 234.5355 -203433.7053 2672.1827 0.0000 0.0000 51885.0169 -109597.6242 298.1839 -161482.6411 -109238.1236 299.8261 178.0823 204.9005 759747.3247 19.8466 19.9076 PRESSURE: 389200 -109.593 81.9788 -152.526 81.9787 30.7884 -20.1321 -152.526 -20.1311 -299.939 GPRESSURE: 389200 -100.7 92.4365 -225.283 -27.2861 31.8399 -101.618 -221.005 -154.176 -240.321 PRESSAVG: 389200 30.7749 0.193285 33.5446 0.193318 -49.6716 -66.0606 33.5446 -66.0606 -1.55703 GPRESSAVG: 389200 30.4325 1.71364 34.1871 -0.632672 -49.8893 -68.2317 31.6953 -66.2776 -1.61144 TIMING: 389200 CPU: 1225.48, 0.00312293/step Wall: 1225.48, 0.00312293/step, 3.99978 hours remaining, 232.851562 MB of memory in use. ENERGY: 389200 4020.0144 20479.8396 14394.4861 236.3468 -203472.6176 2539.2920 0.0000 0.0000 52167.7920 -109634.8467 299.8090 -161802.6387 -109264.8679 299.2599 -126.2480 -103.0606 760615.9982 -6.8179 -7.0228 PRESSURE: 389400 24.1763 241.028 60.8643 241.028 -408.746 -99.314 60.8634 -99.3143 208.981 GPRESSURE: 389400 99.1535 160.756 -112.453 252.042 -321.577 -120.505 221.647 -144.481 133.144 PRESSAVG: 389400 -47.7218 -47.4343 -7.53498 -47.4343 39.567 17.8409 -7.53494 17.8409 6.09129 GPRESSAVG: 389400 -48.8114 -49.8092 -9.25944 -46.3623 39.2738 17.6758 -7.73077 16.9411 7.28494 TIMING: 389400 CPU: 1226.11, 0.00314348/step Wall: 1226.11, 0.00314348/step, 4.02593 hours remaining, 232.851562 MB of memory in use. ENERGY: 389400 3996.5874 20539.9460 14339.1354 261.2448 -202958.7530 2153.0763 0.0000 0.0000 51855.4817 -109813.2815 298.0142 -161668.7632 -109448.3220 299.1763 -58.5298 -29.7599 759436.8794 -0.6878 -0.7509 PRESSURE: 389600 -17.3626 -202.285 -20.2848 -202.285 -94.5216 -82.7151 -20.2849 -82.714 -115.231 GPRESSURE: 389600 50.9158 -154.434 -70.5524 -242.575 -107.961 -13.8447 -93.4081 -171.492 -96.184 PRESSAVG: 389600 1.64407 23.0172 -6.88179 23.0172 -12.8601 -1.3322 -6.88187 -1.3322 -1.75021 GPRESSAVG: 389600 2.87326 25.1051 -6.2661 21.5195 -13.3068 -0.331319 -7.81121 -0.254349 -1.96079 TIMING: 389600 CPU: 1226.74, 0.00316009/step Wall: 1226.74, 0.00316009/step, 4.04703 hours remaining, 232.851562 MB of memory in use. ENERGY: 389600 4007.4057 20616.5979 14482.7232 247.9404 -203522.3388 2488.5652 0.0000 0.0000 52024.7875 -109654.3190 298.9872 -161679.1065 -109303.4680 298.8661 -75.7051 -51.0765 759365.5894 -4.3221 -4.1314 PRESSURE: 389800 -149.367 -351.033 57.4072 -351.033 -257.925 -216.846 57.4065 -216.845 47.8265 GPRESSURE: 389800 -172.875 -281.908 71.3321 -335.529 -125.42 -296.184 -36.0601 -83.4725 18.7129 PRESSAVG: 389800 -1.88894 -38.2229 27.2991 -38.223 33.2305 7.24426 27.2991 7.24431 7.77595 GPRESSAVG: 389800 -1.65083 -37.9721 28.552 -36.3223 33.3851 6.19676 27.7761 7.26799 7.48978 TIMING: 389800 CPU: 1227.37, 0.00314678/step Wall: 1227.37, 0.00314678/step, 4.0298 hours remaining, 232.851562 MB of memory in use. ENERGY: 389800 3990.9986 20542.8247 14416.0392 243.9267 -203636.3552 2657.1332 0.0000 0.0000 52193.0422 -109592.3906 299.9541 -161785.4328 -109232.0895 299.1975 -119.8218 -93.1941 762430.9106 13.0392 13.0747 PRESSURE: 390000 -105.966 135.331 -180.846 135.332 -459.624 129.053 -180.845 129.052 -265.309 GPRESSURE: 390000 -20.2113 118.381 -198.924 88.9567 -436.054 112.03 -222.599 20.3686 -288.28 PRESSAVG: 390000 51.3791 6.05962 -6.09112 6.05965 -26.324 -1.22884 -6.09113 -1.22889 -7.3668 GPRESSAVG: 390000 52.1837 5.68737 -7.69206 5.5847 -25.5687 0.276962 -5.47155 -1.69624 -8.68645 TIMING: 390000 CPU: 1228, 0.00315494/step Wall: 1228, 0.00315494/step, 4.04007 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 390000 4049.6705 20481.0649 14464.4190 253.5181 -203592.2652 2482.3348 0.0000 0.0000 52058.3692 -109802.8887 299.1802 -161861.2579 -109441.4583 299.1649 -276.9666 -248.1819 760039.7488 5.8961 5.9762 PRESSURE: 390200 -46.3619 -177.512 127.099 -177.511 217.817 15.6706 127.098 15.6709 194.695 GPRESSURE: 390200 4.85303 -94.5807 63.1505 -50.4299 227.777 8.03452 176.784 258.988 219.859 PRESSAVG: 390200 81.2253 -22.0058 -1.06962 -22.0059 -11.1341 12.7467 -1.06957 12.7467 -12.6447 GPRESSAVG: 390200 81.5187 -23.2607 -0.81828 -21.287 -12.6293 11.1106 -0.748695 13.9069 -11.5466 TIMING: 390200 CPU: 1228.62, 0.00312512/step Wall: 1228.62, 0.00312512/step, 4.00172 hours remaining, 232.851562 MB of memory in use. ENERGY: 390200 4041.4941 20653.5127 14483.3015 238.9079 -203823.7029 2680.8267 0.0000 0.0000 51884.3048 -109841.3552 298.1798 -161725.6600 -109487.6947 299.0644 122.0499 150.8296 758259.7971 19.1488 19.1143 PRESSURE: 390400 216.26 -34.6166 197.696 -34.6173 192.843 104.399 197.696 104.4 217.073 GPRESSURE: 390400 239.456 22.195 133.549 -28.6675 252.149 98.8159 150.182 42.0343 216.297 PRESSAVG: 390400 22.2652 -51.7421 2.57811 -51.7421 -13.4715 -27.3939 2.5781 -27.3939 0.710315 GPRESSAVG: 390400 21.9032 -49.7012 3.18811 -53.5493 -12.6142 -25.3836 2.27947 -28.9993 0.410686 TIMING: 390400 CPU: 1229.25, 0.00311985/step Wall: 1229.25, 0.00311985/step, 3.9948 hours remaining, 232.851562 MB of memory in use. ENERGY: 390400 3976.3785 20622.4392 14472.0602 237.9508 -203382.0565 2342.0177 0.0000 0.0000 51856.4567 -109874.7533 298.0198 -161731.2101 -109512.8616 298.8446 208.7255 235.9674 758450.8262 3.1680 3.2332 PRESSURE: 390600 -571.893 -5.61731 -177.651 -5.61739 -460.665 317.646 -177.651 317.646 -233.769 GPRESSURE: 390600 -560.986 -123.896 -260.987 -3.37383 -236.986 247.356 -247.896 257.437 -368.432 PRESSAVG: 390600 -30.4986 -0.0597999 -53.6278 -0.059752 44.8749 22.1778 -53.6278 22.1779 -12.698 GPRESSAVG: 390600 -31.3699 -1.57165 -54.591 -0.0927518 45.9481 20.1922 -54.4006 21.7759 -12.5593 TIMING: 390600 CPU: 1229.88, 0.00314393/step Wall: 1229.88, 0.00314393/step, 4.02545 hours remaining, 232.851562 MB of memory in use. ENERGY: 390600 4051.3339 20489.8081 14472.0020 264.5315 -203006.8237 2071.5390 0.0000 0.0000 51975.3658 -109682.2434 298.7031 -161657.6092 -109317.7664 299.3217 -422.1089 -388.8017 759835.1722 0.5594 0.6730 PRESSURE: 390800 71.3838 -15.463 31.6892 -15.4633 647.118 -109.941 31.6891 -109.94 -236.529 GPRESSURE: 390800 98.9821 -6.51414 96.6055 65.9071 571.44 -77.354 87.104 -167.612 -96.0844 PRESSAVG: 390800 1.22704 -5.82438 -32.4805 -5.82435 -2.88815 10.5644 -32.4805 10.5644 16.124 GPRESSAVG: 390800 2.99903 -6.18023 -31.5559 -5.84658 -4.34023 12.2228 -30.8527 11.8066 16.0614 TIMING: 390800 CPU: 1230.5, 0.00312405/step Wall: 1230.5, 0.00312405/step, 3.99983 hours remaining, 232.851562 MB of memory in use. ENERGY: 390800 3998.3864 20460.0336 14454.0498 225.2163 -203262.0830 2346.8627 0.0000 0.0000 52193.9916 -109583.5425 299.9596 -161777.5340 -109214.5084 299.0659 160.6579 191.4457 758659.8838 4.8210 4.9067 PRESSURE: 391000 69.6593 -111.946 -42.931 -111.946 -15.6071 45.545 -42.9311 45.546 432.043 GPRESSURE: 391000 152.735 -64.7373 -81.0091 -99.0265 -83.7883 -14.2478 -33.8192 25.6485 490.627 PRESSAVG: 391000 22.641 -14.5972 27.4759 -14.5971 -3.20094 -32.6978 27.476 -32.6977 -20.3873 GPRESSAVG: 391000 21.6613 -13.271 28.7768 -16.4643 -3.05703 -32.8671 25.1312 -33.8669 -19.2647 TIMING: 391000 CPU: 1231.13, 0.00313688/step Wall: 1231.13, 0.00313688/step, 4.01608 hours remaining, 232.851562 MB of memory in use. ENERGY: 391000 4010.6786 20671.1871 14438.3613 264.1122 -203339.8575 2452.0719 0.0000 0.0000 51956.8647 -109546.5818 298.5968 -161503.4464 -109197.4334 299.8445 162.0317 186.5246 757684.8416 -0.3157 -0.2201 PRESSURE: 391200 142.523 -25.134 60.9157 -25.1344 150.944 -121.442 60.916 -121.441 343.069 GPRESSURE: 391200 127.088 60.5989 50.2862 37.6409 210.719 -227.036 -36.7425 -76.9702 383.024 PRESSAVG: 391200 -33.5436 -65.5189 42.1033 -65.5189 38.439 16.2203 42.1032 16.2203 -5.1676 GPRESSAVG: 391200 -32.6521 -65.9632 40.0932 -64.1498 38.4224 15.3117 43.0719 15.8932 -6.26604 TIMING: 391200 CPU: 1231.75, 0.00312397/step Wall: 1231.75, 0.00312397/step, 3.99938 hours remaining, 232.851562 MB of memory in use. ENERGY: 391200 3951.2134 20455.5862 14436.2872 242.0177 -203075.6027 2175.9094 0.0000 0.0000 52171.4616 -109643.1271 299.8301 -161814.5887 -109284.3708 299.6642 212.1786 240.2767 760403.6836 -0.0907 -0.1653 PRESSURE: 391400 101.648 -267.01 -62.9845 -267.01 148.152 -126.034 -62.9834 -126.033 433.758 GPRESSURE: 391400 83.1904 -257.766 -12.8175 -216.024 293.889 -65.0224 -140.822 -140.479 404.213 PRESSAVG: 391400 7.82155 -21.7135 11.0249 -21.7135 -4.6005 -21.8893 11.0249 -21.8893 -6.52502 GPRESSAVG: 391400 7.47699 -20.9618 11.365 -22.1822 -3.57226 -20.5564 10.8281 -19.9696 -6.68352 TIMING: 391400 CPU: 1232.38, 0.00312619/step Wall: 1232.38, 0.00312619/step, 4.00205 hours remaining, 232.851562 MB of memory in use. ENERGY: 391400 4035.0136 20286.7684 14411.0483 220.4335 -203454.1857 2682.9528 0.0000 0.0000 52238.3618 -109579.6074 300.2146 -161817.9692 -109225.1209 299.2451 227.8524 260.4306 759365.0908 -1.1013 -0.9263 PRESSURE: 391600 -27.7423 -67.7289 285.154 -67.7291 51.8457 -107.618 285.154 -107.618 143.766 GPRESSURE: 391600 44.3663 -42.1604 308.994 97.1569 146.879 -122.137 239.683 -99.1677 49.3867 PRESSAVG: 391600 25.4141 -24.4968 -31.7367 -24.4968 -41.412 6.52825 -31.7366 6.5282 6.35133 GPRESSAVG: 391600 25.1753 -25.2183 -31.3806 -24.1688 -40.8159 4.36063 -28.8651 7.69016 5.40152 TIMING: 391600 CPU: 1233, 0.00312046/step Wall: 1233, 0.00312046/step, 3.99453 hours remaining, 232.851562 MB of memory in use. ENERGY: 391600 3957.7766 20615.3151 14466.8206 250.6957 -203589.7084 2612.7296 0.0000 0.0000 52234.4237 -109451.9470 300.1920 -161686.3707 -109094.9364 299.7265 55.9566 80.2107 759960.4883 -3.2155 -3.4130 PRESSURE: 391800 -82.0292 -9.9957 -94.1981 -9.99567 -454.037 -148.171 -94.1983 -148.173 -36.8904 GPRESSURE: 391800 -28.7674 70.9018 -213.095 -6.34821 -418.016 -75.4992 -81.7273 -88.7424 -52.4135 PRESSAVG: 391800 53.1936 25.6631 -8.2606 25.6631 -68.6209 -15.3864 -8.26059 -15.3864 9.58822 GPRESSAVG: 391800 53.0305 25.3275 -9.53918 24.569 -69.1526 -12.8381 -10.3527 -17.4815 10.4461 TIMING: 391800 CPU: 1233.63, 0.00313715/step Wall: 1233.63, 0.00313714/step, 4.01572 hours remaining, 232.851562 MB of memory in use. ENERGY: 391800 4035.9043 20598.1455 14510.3203 252.2574 -203142.0060 2125.4842 0.0000 0.0000 52083.2854 -109536.6089 299.3234 -161619.8942 -109184.1405 300.0545 -190.9857 -166.3990 759440.7050 -1.9463 -1.8920 PRESSURE: 392000 350.266 63.1754 108.235 63.1752 263.856 69.2851 108.235 69.2844 582.642 GPRESSURE: 392000 411.923 31.0629 199.071 56.7509 287.17 -49.3134 83.2224 197.538 589.3 PRESSAVG: 392000 13.8875 51.912 -35.9222 51.9119 -28.3286 2.98027 -35.9222 2.98026 -33.3826 GPRESSAVG: 392000 14.1804 50.6629 -35.024 50.771 -29.1014 2.29766 -36.7518 1.89434 -33.2848 TIMING: 392000 CPU: 1234.25, 0.00312431/step Wall: 1234.25, 0.00312432/step, 3.99912 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 392000 3960.2604 20464.6133 14456.3831 238.1453 -203493.0646 2718.4256 0.0000 0.0000 52087.2423 -109567.9946 299.3461 -161655.2369 -109209.3221 299.9032 398.9213 429.4647 757789.5992 -15.9412 -16.0686 PRESSURE: 392200 37.1896 162.709 44.7229 162.709 295.736 -90.5513 44.7224 -90.5506 302.091 GPRESSURE: 392200 236.57 109.622 62.0366 152.491 348.224 -144.779 113.484 51.6645 120.506 PRESSAVG: 392200 -6.98188 -11.9371 -30.0573 -11.9371 15.9842 -14.5416 -30.0574 -14.5415 -6.45939 GPRESSAVG: 392200 -5.29749 -12.3916 -28.9095 -10.9897 14.8161 -15.2151 -29.7969 -12.4216 -7.21091 TIMING: 392200 CPU: 1234.88, 0.00312496/step Wall: 1234.88, 0.00312496/step, 3.99978 hours remaining, 232.851562 MB of memory in use. ENERGY: 392200 3974.8014 20543.0094 14453.0487 248.8531 -203695.9175 2722.3630 0.0000 0.0000 52076.7724 -109677.0695 299.2859 -161753.8419 -109329.5232 299.1859 211.6722 235.1000 758299.1684 0.8476 0.7692 LDB: ============= START OF LOAD BALANCING ============== 1247.28 LDB: ============== END OF LOAD BALANCING =============== 1247.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1247.28 LDB: ============= START OF LOAD BALANCING ============== 1247.59 LDB: Largest compute 7044 load 0.031349 is 16.0% of average load 0.195633 LDB: Average compute 0.004393 is 2.2% of average load 0.195633 LDB: TIME 1247.6 LOAD: AVG 0.195633 MAX 0.2217 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 230.895 MB LDB: TIME 1247.6 LOAD: AVG 0.195633 MAX 0.2217 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.898 MB LDB: TIME 1247.6 LOAD: AVG 0.195633 MAX 0.214944 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.898 MB LDB: ============== END OF LOAD BALANCING =============== 1247.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1247.6 PRESSURE: 392400 200.39 -182.799 -20.9157 -182.799 480.343 -127.485 -20.9153 -127.484 -3.97567 GPRESSURE: 392400 279.102 -106.513 15.542 -51.3753 475.233 -1.33637 -18.8133 -154.2 5.03287 PRESSAVG: 392400 58.3087 14.5784 1.53334 14.5784 25.0628 -31.3461 1.53325 -31.3461 -11.5253 GPRESSAVG: 392400 55.9599 16.0314 1.51419 14.7825 26.0788 -30.07 -0.538254 -34.4221 -11.0406 TIMING: 392400 CPU: 1235.52, 0.00320825/step Wall: 1235.52, 0.00320825/step, 4.1062 hours remaining, 233.683594 MB of memory in use. ENERGY: 392400 3956.2350 20417.1785 14449.5204 238.6115 -203655.4013 2632.5779 0.0000 0.0000 52204.7934 -109756.4848 300.0217 -161961.2782 -109396.0726 299.6686 225.5857 253.1229 758286.2714 23.9487 23.6660 PRESSURE: 392600 -88.528 -235.167 119.059 -235.166 -122.537 345.465 119.059 345.465 -514.83 GPRESSURE: 392600 -131.999 -137.476 137.405 -212.659 76.7444 397.043 192.649 313.881 -588.035 PRESSAVG: 392600 -13.0686 -11.8768 12.6612 -11.8769 19.9602 -18.0148 12.6611 -18.0148 13.8682 GPRESSAVG: 392600 -13.6037 -11.3819 13.1621 -13.0702 20.9421 -19.3699 14.6118 -15.7743 13.7339 TIMING: 392600 CPU: 1236.15, 0.00314787/step Wall: 1236.15, 0.00314787/step, 4.02874 hours remaining, 233.683594 MB of memory in use. ENERGY: 392600 4071.0364 20526.9797 14472.1364 271.1676 -203237.9166 2256.9168 0.0000 0.0000 51999.0700 -109640.6096 298.8394 -161639.6796 -109284.1557 299.4273 -241.9649 -214.4300 760671.4557 6.9199 7.0241 PRESSURE: 392800 -4.67794 37.8815 -112.377 37.881 199.078 -167.892 -112.378 -167.893 110.285 GPRESSURE: 392800 66.1886 43.8217 -80.3447 -6.92738 139.506 -129.515 -113.021 -113.396 177.925 PRESSAVG: 392800 -28.5244 24.4326 -21.6816 24.4326 -24.1196 17.4935 -21.6817 17.4934 10.6519 GPRESSAVG: 392800 -27.4748 25.1829 -25.0564 25.052 -25.0398 17.8528 -19.1338 15.4562 10.6576 TIMING: 392800 CPU: 1236.78, 0.00314242/step Wall: 1236.78, 0.00314242/step, 4.0216 hours remaining, 233.703125 MB of memory in use. ENERGY: 392800 4054.4404 20476.8104 14432.6910 240.9292 -203714.6318 2599.6131 0.0000 0.0000 52295.6415 -109614.5061 300.5438 -161910.1476 -109246.8820 299.5314 101.5617 127.8731 759282.3839 -13.9974 -13.9523 PRESSURE: 393000 -245.61 -52.2547 -198.818 -52.255 252.848 -4.87387 -198.817 -4.87361 -65.5881 GPRESSURE: 393000 -152.038 -184.542 -195.829 -95.5891 283.574 -11.9602 -218.298 31.5466 -113.864 PRESSAVG: 393000 3.46015 37.3066 -22.2748 37.3066 -11.4192 -45.7873 -22.2749 -45.7874 9.83892 GPRESSAVG: 393000 3.14628 34.898 -20.6884 38.5172 -12.2469 -46.1306 -25.0695 -44.7427 10.6819 TIMING: 393000 CPU: 1237.41, 0.00314128/step Wall: 1237.41, 0.00314128/step, 4.01997 hours remaining, 233.710938 MB of memory in use. ENERGY: 393000 4044.9097 20353.3390 14457.5632 248.7046 -203238.0076 2375.7204 0.0000 0.0000 51965.9552 -109791.8153 298.6491 -161757.7705 -109424.2841 299.1243 -19.4501 5.8909 759252.8727 0.6266 0.5271 PRESSURE: 393200 -357.117 -16.8033 -151.891 -16.802 -73.1911 -7.36674 -151.892 -7.36835 -230.295 GPRESSURE: 393200 -329.207 -86.3837 -87.2993 -50.7462 -27.6324 -33.4144 -99.4188 102.176 -228.014 PRESSAVG: 393200 62.9881 1.56321 -38.2024 1.56326 -28.8446 41.9932 -38.2024 41.9932 7.24527 GPRESSAVG: 393200 62.165 2.35145 -36.6493 -0.237826 -27.6664 43.5135 -36.256 42.3848 6.79385 TIMING: 393200 CPU: 1238.04, 0.00315723/step Wall: 1238.04, 0.00315723/step, 4.0402 hours remaining, 233.710938 MB of memory in use. ENERGY: 393200 3923.3530 20616.0586 14413.4905 235.8095 -203321.1187 2322.4750 0.0000 0.0000 51991.0488 -109818.8833 298.7933 -161809.9321 -109455.9154 298.5414 -220.2009 -194.9513 759853.2581 13.7963 13.7641 PRESSURE: 393400 -287.126 5.05907 147.79 5.06039 59.4989 40.3738 147.79 40.3742 -51.8725 GPRESSURE: 393400 -233.115 -107.513 120.217 27.5726 12.8978 72.7037 109.088 155.958 2.07917 PRESSAVG: 393400 -32.3221 -35.4512 56.4835 -35.4511 16.3899 2.95164 56.4835 2.95171 21.3013 GPRESSAVG: 393400 -30.1996 -34.7371 55.4959 -36.1757 13.971 2.34297 55.7557 2.6156 21.4423 TIMING: 393400 CPU: 1238.67, 0.00315712/step Wall: 1238.67, 0.00315712/step, 4.03988 hours remaining, 233.710938 MB of memory in use. ENERGY: 393400 4009.9503 20626.2659 14461.8030 256.5228 -203234.9527 2122.6395 0.0000 0.0000 51838.2190 -109919.5522 297.9150 -161757.7712 -109556.4331 298.8497 -93.1664 -72.7126 758219.8364 1.7897 1.7379 PRESSURE: 393600 32.0828 83.3288 191.643 83.3284 159.652 131.111 191.643 131.11 180.017 GPRESSURE: 393600 33.6251 90.849 71.18 149.791 299.886 127.447 165.549 31.8623 134.16 PRESSAVG: 393600 -10.1699 15.5498 5.28635 15.5498 -28.6519 2.13586 5.28636 2.13594 14.4142 GPRESSAVG: 393600 -12.3211 15.0877 5.56779 16.3668 -26.4358 3.38421 4.14526 0.435928 14.253 TIMING: 393600 CPU: 1239.3, 0.00313612/step Wall: 1239.3, 0.00313611/step, 4.01283 hours remaining, 233.710938 MB of memory in use. ENERGY: 393600 3969.6019 20363.7243 14443.2613 231.3908 -204055.1620 2973.0628 0.0000 0.0000 51979.8283 -110094.2926 298.7288 -162074.1208 -109735.5780 298.1397 123.9174 155.8904 760330.9710 -8.1359 -8.1680 PRESSURE: 393800 72.4605 -19.3062 48.4501 -19.3061 21.7484 -147.884 48.4506 -147.883 225.323 GPRESSURE: 393800 81.289 -110.687 -3.34865 48.2904 32.2255 -121.857 -2.67549 -287.016 305.217 PRESSAVG: 393800 4.9853 20.4236 -16.6031 20.4236 44.4407 7.79718 -16.6031 7.79722 23.5538 GPRESSAVG: 393800 5.66349 18.1322 -16.0819 22.3207 44.4174 5.97105 -17.59 11.4763 23.2423 TIMING: 393800 CPU: 1239.92, 0.00313039/step Wall: 1239.92, 0.00313039/step, 4.00533 hours remaining, 233.710938 MB of memory in use. ENERGY: 393800 3963.8507 20587.1021 14406.1232 254.8792 -203900.4447 2652.0661 0.0000 0.0000 51975.5808 -110060.8425 298.7044 -162036.4233 -109701.0278 298.8194 106.5108 139.5770 757287.0415 24.3266 24.4411 PRESSURE: 394000 153.307 38.6657 -70.7214 38.6658 11.2193 270.329 -70.7212 270.329 -141.004 GPRESSURE: 394000 240.132 -37.7808 0.667745 10.5311 -36.2423 235.11 48.9841 220.915 -111.808 PRESSAVG: 394000 -4.2122 10.4115 -3.14758 10.4115 3.65689 -24.1652 -3.14762 -24.1652 -21.0957 GPRESSAVG: 394000 -4.90975 13.5081 -3.27684 6.90512 3.01976 -22.962 -2.82254 -26.9436 -20.0741 TIMING: 394000 CPU: 1240.55, 0.00314735/step Wall: 1240.55, 0.00314735/step, 4.02686 hours remaining, 233.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 394000 3938.6729 20362.9443 14442.1241 247.6477 -203627.9426 2466.5922 0.0000 0.0000 51996.0286 -110173.9328 298.8219 -162169.9615 -109814.9036 298.7631 7.8407 30.6939 760079.3623 -7.2170 -7.3214 PRESSURE: 394200 -181.814 -51.1431 28.6091 -51.1429 -281.833 -70.2608 28.6084 -70.2607 -51.3944 GPRESSURE: 394200 -161.751 -0.835352 -30.4643 -25.7199 -240.518 -110.43 56.7654 44.3698 -26.2925 PRESSAVG: 394200 -17.8277 34.0172 35.177 34.0172 2.56295 -1.2 35.1769 -1.19994 9.1122 GPRESSAVG: 394200 -16.9588 34.0698 34.2922 38.1199 2.46841 -2.15254 36.6006 1.28845 8.00156 TIMING: 394200 CPU: 1241.18, 0.00314754/step Wall: 1241.18, 0.00314754/step, 4.02692 hours remaining, 233.710938 MB of memory in use. ENERGY: 394200 3956.3934 20595.9432 14464.0889 221.3545 -203327.9951 2034.7941 0.0000 0.0000 51984.2970 -110071.1240 298.7545 -162055.4210 -109712.5273 298.4178 -171.6806 -142.8538 759438.2414 -2.0508 -2.1629 PRESSURE: 394400 295.969 111.677 10.6563 111.677 114.956 -140.359 10.656 -140.358 162.841 GPRESSURE: 394400 308.713 68.7479 25.7939 22.5055 105.901 -152.492 133.293 -153.729 228.509 PRESSAVG: 394400 70.2254 -5.33681 3.97692 -5.33675 -13.2752 -3.29649 3.9769 -3.2964 -4.10286 GPRESSAVG: 394400 69.1518 -4.08769 4.84815 -7.98038 -13.5621 -2.91204 3.71565 -4.24872 -3.35976 TIMING: 394400 CPU: 1241.81, 0.00314747/step Wall: 1241.81, 0.00314747/step, 4.02667 hours remaining, 233.710938 MB of memory in use. ENERGY: 394400 3965.8308 20485.0315 14424.4427 253.5989 -203616.4674 2570.0567 0.0000 0.0000 51942.0038 -109975.5031 298.5114 -161917.5069 -109620.3538 298.5079 191.2557 214.3741 757829.8821 17.6158 17.4100 PRESSURE: 394600 -285.275 -191.68 -58.6502 -191.68 19.4019 -160.408 -58.6498 -160.409 -242.785 GPRESSURE: 394600 -162.15 -94.106 -42.2734 -308.893 -31.8952 -168.581 -36.8009 -65.7948 -237.173 PRESSAVG: 394600 31.3537 -5.27072 -14.6132 -5.27076 -37.2933 -16.484 -14.6131 -16.4839 -31.7906 GPRESSAVG: 394600 31.126 -6.44336 -15.6963 -5.77972 -36.9351 -17.2643 -15.2599 -15.5666 -32.0592 TIMING: 394600 CPU: 1242.45, 0.00316841/step Wall: 1242.45, 0.00316841/step, 4.05328 hours remaining, 233.710938 MB of memory in use. ENERGY: 394600 3923.6434 20422.0330 14386.4722 252.8290 -203187.8112 2315.7414 0.0000 0.0000 52012.0857 -109875.0065 298.9142 -161887.0922 -109517.2487 298.5809 -169.5528 -143.7394 759393.7423 -12.5767 -12.6228 PRESSURE: 394800 -342.869 -223.49 254.083 -223.489 -67.6827 -247.285 254.083 -247.285 -364.416 GPRESSURE: 394800 -338.607 -212.034 223.194 -232.426 -16.7251 -292.879 224.669 -308.214 -351.196 PRESSAVG: 394800 -49.6016 -82.5931 19.1703 -82.5931 49.4297 18.291 19.1703 18.291 7.56069 GPRESSAVG: 394800 -49.148 -83.4057 17.3248 -82.7668 48.4059 18.9845 20.5686 17.5025 8.02288 TIMING: 394800 CPU: 1243.08, 0.00316419/step Wall: 1243.08, 0.00316419/step, 4.04771 hours remaining, 233.710938 MB of memory in use. ENERGY: 394800 3962.8355 20548.9934 14390.2656 263.8323 -203712.3524 2634.8177 0.0000 0.0000 51910.9696 -110000.6383 298.3331 -161911.6079 -109631.9730 298.4919 -258.3227 -235.5095 759759.7793 2.4630 2.4269 PRESSURE: 395000 106.882 127.346 312.548 127.346 77.9732 107.933 312.549 107.934 -237.511 GPRESSURE: 395000 125.48 181.678 295.278 134.432 136.183 134.834 251.926 163.465 -230.184 PRESSAVG: 395000 -24.1363 -8.91816 16.8352 -8.91827 6.46743 -8.39433 16.8352 -8.39432 19.7614 GPRESSAVG: 395000 -25.3156 -10.07 19.4673 -6.36991 7.36912 -8.76536 15.2279 -8.67681 20.1295 TIMING: 395000 CPU: 1243.71, 0.00314573/step Wall: 1243.71, 0.00314573/step, 4.02391 hours remaining, 233.710938 MB of memory in use. ENERGY: 395000 3976.0757 20541.7219 14451.9944 237.5336 -203507.6907 2291.9836 0.0000 0.0000 51876.0887 -110132.2929 298.1326 -162008.3816 -109759.2472 298.7341 -17.5523 10.4928 759728.4882 0.6975 0.7277 PRESSURE: 395200 -38.5705 -45.1218 307.996 -45.1216 159.937 211.235 307.996 211.235 -254.646 GPRESSURE: 395200 94.1373 -16.6185 253.944 -38.2454 43.0954 188.678 301.909 102.725 -175.082 PRESSAVG: 395200 -28.4809 19.9994 35.2535 19.9994 31.4259 -4.68473 35.2534 -4.68471 26.9266 GPRESSAVG: 395200 -26.6683 19.8209 32.8723 20.4249 31.0144 -4.50062 37.4937 -4.50864 25.414 TIMING: 395200 CPU: 1244.34, 0.00313514/step Wall: 1244.34, 0.00313514/step, 4.01019 hours remaining, 233.710938 MB of memory in use. ENERGY: 395200 4058.2814 20422.2960 14426.1700 234.4560 -203673.6543 2513.0478 0.0000 0.0000 51856.5311 -110162.8719 298.0202 -162019.4031 -109796.4159 298.0401 -44.4264 -12.6165 760020.1692 9.9572 9.9200 PRESSURE: 395400 -270.333 162.483 -153.093 162.483 -99.3969 61.527 -153.093 61.5269 -115.485 GPRESSURE: 395400 -232.936 164.996 -179.697 56.3179 -87.0232 67.8584 -104.918 43.9804 -71.8389 PRESSAVG: 395400 -44.8303 3.03053 -9.74535 3.03055 5.10128 -8.8875 -9.74535 -8.88751 -9.16807 GPRESSAVG: 395400 -44.8863 4.9395 -9.10605 1.28729 3.45839 -8.06445 -10.2551 -11.2407 -7.30763 TIMING: 395400 CPU: 1244.96, 0.00314701/step Wall: 1244.96, 0.00314701/step, 4.0252 hours remaining, 233.710938 MB of memory in use. ENERGY: 395400 3993.9342 20377.2177 14379.9252 229.4792 -203517.3924 2584.8340 0.0000 0.0000 51874.8071 -110077.1949 298.1252 -161952.0021 -109709.1126 298.2212 -161.7383 -130.5993 760525.5209 -16.2990 -16.2452 PRESSURE: 395600 168.085 99.1561 210.704 99.1562 130.548 5.25568 210.703 5.25426 53.4143 GPRESSURE: 395600 252.371 66.2235 223.024 174.254 132.011 -95.5158 164.345 -47.3993 64.0416 PRESSAVG: 395600 20.5988 -22.8866 26.2514 -22.8866 22.9726 81.5887 26.2514 81.5886 5.74917 GPRESSAVG: 395600 20.4093 -23.5415 26.8303 -21.8738 24.0706 79.9976 25.3616 84.4581 4.97948 TIMING: 395600 CPU: 1245.6, 0.00315455/step Wall: 1245.6, 0.00315455/step, 4.03466 hours remaining, 233.710938 MB of memory in use. ENERGY: 395600 3976.1747 20333.1962 14410.4101 254.5469 -203413.0555 2360.1754 0.0000 0.0000 51953.6148 -110124.9373 298.5781 -162078.5521 -109758.7779 298.2842 117.3491 149.4746 759941.0734 16.4402 16.4865 PRESSURE: 395800 -165.448 -116.126 9.30538 -116.126 -395.596 -251.403 9.30552 -251.402 121.693 GPRESSURE: 395800 -69.119 -78.868 23.1723 -64.1847 -384.446 -235.32 -130.27 -332.971 91.1486 PRESSAVG: 395800 22.4123 -26.0707 -16.8436 -26.0707 -41.7147 63.1593 -16.8436 63.1594 -12.2913 GPRESSAVG: 395800 22.1264 -23.8751 -18.0303 -26.6477 -41.876 63.5922 -14.3015 61.3287 -12.2864 TIMING: 395800 CPU: 1246.22, 0.00314301/step Wall: 1246.22, 0.00314301/step, 4.01974 hours remaining, 233.710938 MB of memory in use. ENERGY: 395800 4029.0284 20616.2278 14340.3678 231.5202 -203392.8171 2133.3197 0.0000 0.0000 51706.9956 -110335.3576 297.1608 -162042.3532 -109968.0288 298.2845 -146.4503 -120.8053 758733.1189 -10.5312 -10.6787 PRESSURE: 396000 108.396 154.815 -12.1137 154.814 57.6526 -172.447 -12.1142 -172.448 -38.9106 GPRESSURE: 396000 133.832 133.494 4.35866 133.245 88.1683 -100.274 -34.7209 -191.281 -2.12118 PRESSAVG: 396000 -10.3755 -4.81683 -22.5266 -4.81683 5.31275 -29.7697 -22.5267 -29.7697 21.0891 GPRESSAVG: 396000 -9.97136 -8.80892 -21.7658 -2.5057 4.63884 -28.0146 -24.9123 -28.0988 20.8692 TIMING: 396000 CPU: 1246.85, 0.00314783/step Wall: 1246.85, 0.00314783/step, 4.02572 hours remaining, 233.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 396000 4030.3963 20573.9815 14409.8129 257.9270 -203554.5173 2343.5791 0.0000 0.0000 51720.9093 -110217.9112 297.2408 -161938.8204 -109856.1443 297.8183 42.3792 73.2931 760456.7576 5.3421 5.1789 PRESSURE: 396200 56.0824 130.696 90.6487 130.695 104.596 344.716 90.6495 344.715 5.09425 GPRESSURE: 396200 164.985 115.412 14.0733 87.4546 116.668 327.838 133.462 294.573 -27.0593 PRESSAVG: 396200 -4.50349 -10.0262 -52.1511 -10.0262 20.0063 -7.27382 -52.1511 -7.27374 -1.69576 GPRESSAVG: 396200 -5.76004 -7.56201 -51.6009 -11.5814 21.1748 -8.56836 -50.3307 -7.73337 -1.46813 TIMING: 396200 CPU: 1247.48, 0.00315612/step Wall: 1247.48, 0.00315612/step, 4.03615 hours remaining, 233.949219 MB of memory in use. ENERGY: 396200 3989.4275 20497.9028 14436.2717 222.8319 -203880.2393 2584.3946 0.0000 0.0000 51951.9570 -110197.4538 298.5686 -162149.4108 -109825.9734 298.2582 55.2575 84.8644 759711.3173 4.6024 4.6489 LDB: ============= START OF LOAD BALANCING ============== 1259.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1259.88 LDB: =============== DONE WITH MIGRATION ================ 1259.89 LDB: ============= START OF LOAD BALANCING ============== 1260.2 LDB: Largest compute 7048 load 0.031846 is 16.3% of average load 0.195605 LDB: Average compute 0.004392 is 2.2% of average load 0.195605 LDB: TIME 1260.2 LOAD: AVG 0.195605 MAX 0.218953 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.27 MB LDB: TIME 1260.2 LOAD: AVG 0.195605 MAX 0.218953 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.273 MB LDB: TIME 1260.2 LOAD: AVG 0.195605 MAX 0.21829 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.273 MB LDB: ============== END OF LOAD BALANCING =============== 1260.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1260.21 PRESSURE: 396400 -250.278 149.893 244.785 149.893 111.729 -222.404 244.785 -222.404 -70.4495 GPRESSURE: 396400 -255.161 138.628 260.828 151.268 182.155 -179.5 347.828 -280.673 -52.7067 PRESSAVG: 396400 -9.12353 3.81816 -7.47984 3.81825 6.74763 30.9032 -7.47982 30.9033 7.28414 GPRESSAVG: 396400 -9.4873 3.58088 -6.92238 3.49525 7.65292 30.5695 -8.28118 29.1785 6.48929 TIMING: 396400 CPU: 1248.13, 0.00321914/step Wall: 1248.13, 0.00321914/step, 4.11656 hours remaining, 232.339844 MB of memory in use. ENERGY: 396400 3960.1219 20404.6971 14365.2423 250.7293 -203809.7391 2671.1216 0.0000 0.0000 51970.2745 -110187.5524 298.6739 -162157.8269 -109822.0695 298.4332 -69.6660 -41.9045 761548.2330 1.6361 1.5516 PRESSURE: 396600 -290.366 -80.3519 -222.992 -80.3525 -258.679 11.7544 -222.993 11.7549 -265.929 GPRESSURE: 396600 -328.1 -85.3855 -219.608 -113.2 -153.544 -23.1017 -357.296 11.0524 -238.332 PRESSAVG: 396600 -13.0358 -10.5969 -8.21025 -10.5969 65.4819 -23.7222 -8.21022 -23.7222 4.63282 GPRESSAVG: 396600 -12.0675 -11.6724 -10.0008 -8.69342 65.8515 -21.7644 -9.05458 -23.3165 3.87033 TIMING: 396600 CPU: 1248.76, 0.00314426/step Wall: 1248.76, 0.00314426/step, 4.02063 hours remaining, 232.421875 MB of memory in use. ENERGY: 396600 4013.8001 20453.7007 14336.6941 252.8122 -203785.7856 2432.7341 0.0000 0.0000 52138.8709 -110157.1736 299.6428 -162296.0445 -109779.8415 298.8499 -271.6581 -239.9920 759862.1383 19.0263 19.2181 PRESSURE: 396800 -710.417 -43.8422 -2.13959 -43.8427 23.7268 99.733 -2.1398 99.7322 -236.899 GPRESSURE: 396800 -618.481 -85.0151 51.5051 35.7798 -8.97758 55.8185 -5.0089 70.0039 -216.386 PRESSAVG: 396800 -35.7703 -7.53721 -17.3364 -7.53719 59.5992 63.9054 -17.3363 63.9054 8.20111 GPRESSAVG: 396800 -36.3617 -6.11829 -16.9572 -7.08054 57.6195 63.7242 -16.4949 64.0007 10.6315 TIMING: 396800 CPU: 1249.38, 0.0031262/step Wall: 1249.38, 0.0031262/step, 3.99737 hours remaining, 232.421875 MB of memory in use. ENERGY: 396800 3933.8715 20561.7719 14428.1809 244.7641 -203469.5948 2269.9394 0.0000 0.0000 51992.3116 -110038.7554 298.8005 -162031.0670 -109666.6146 298.6036 -307.8631 -281.2817 759523.0465 10.6767 10.6298 PRESSURE: 397000 -191.823 -164.307 278.19 -164.307 244.219 -149.764 278.191 -149.765 -268.116 GPRESSURE: 397000 -188.392 -130.407 323.105 -45.872 261.217 -91.4917 243.585 -20.5007 -171.168 PRESSAVG: 397000 -75.0059 -7.60864 38.2505 -7.60868 27.1134 25.1789 38.2505 25.1789 -17.9035 GPRESSAVG: 397000 -75.3311 -9.2008 40.9603 -8.7743 27.5804 25.019 36.9215 25.6573 -18.4093 TIMING: 397000 CPU: 1250.01, 0.00315803/step Wall: 1250.01, 0.00315803/step, 4.03789 hours remaining, 232.445312 MB of memory in use. ENERGY: 397000 4020.6540 20445.2665 14415.5817 259.3037 -203775.4653 2603.8850 0.0000 0.0000 51814.6388 -110216.1354 297.7794 -162030.7743 -109851.8407 298.7081 -71.9062 -32.7810 760136.1815 -21.9320 -22.0533 PRESSURE: 397200 -217.371 -127.943 -81.9377 -127.943 -329.145 325.977 -81.9373 325.977 -290.641 GPRESSURE: 397200 -172.677 -85.0169 -12.6733 -155.459 -301.771 236.785 -76.2264 113.826 -278.714 PRESSAVG: 397200 -65.2048 -29.7395 -14.5573 -29.7395 40.0557 36.3139 -14.5573 36.3139 25.1451 GPRESSAVG: 397200 -65.1413 -27.5539 -16.8554 -30.4261 38.7438 35.3822 -14.3869 35.2242 25.8751 TIMING: 397200 CPU: 1250.64, 0.00312798/step Wall: 1250.64, 0.00312798/step, 3.9993 hours remaining, 232.445312 MB of memory in use. ENERGY: 397200 3949.4995 20447.7130 14450.6280 251.1950 -203742.2944 2329.2612 0.0000 0.0000 52163.6363 -110150.3614 299.7851 -162313.9977 -109790.9672 298.1271 -279.0527 -251.0543 760686.5164 -0.0013 -0.1741 PRESSURE: 397400 190.742 -37.2892 -140.638 -37.2886 -114.778 -142.428 -140.637 -142.427 216.535 GPRESSURE: 397400 182.324 71.2472 -112.486 -72.9075 -20.0958 -76.216 -102.385 -257.482 206.672 PRESSAVG: 397400 -14.9319 10.433 -6.09125 10.433 -7.17082 -7.24516 -6.09125 -7.24518 -1.54822 GPRESSAVG: 397400 -15.1384 8.48426 -7.04314 11.1983 -5.23451 -8.33655 -4.53516 -5.41609 -3.14744 TIMING: 397400 CPU: 1251.27, 0.00313897/step Wall: 1251.27, 0.00313897/step, 4.01317 hours remaining, 232.445312 MB of memory in use. ENERGY: 397400 3984.3755 20478.8600 14492.1446 247.0848 -204038.4460 2753.5943 0.0000 0.0000 51995.5383 -110086.8484 298.8191 -162082.3867 -109715.6661 298.3657 97.4999 122.9667 759771.9342 -7.8836 -7.8401 PRESSURE: 397600 -253.77 80.748 -72.1131 80.7476 -146.586 37.1159 -72.1129 37.1166 -176.304 GPRESSURE: 397600 -235.488 83.5555 -72.7206 50.5445 -84.2866 35.1406 27.8428 -33.2752 -158.731 PRESSAVG: 397600 10.8813 -28.9577 28.8186 -28.9577 -2.6062 -31.2507 28.8186 -31.2507 1.04659 GPRESSAVG: 397600 10.5379 -28.8879 30.7062 -29.4688 -3.19024 -30.8868 27.0552 -31.2525 1.91536 TIMING: 397600 CPU: 1251.89, 0.00313339/step Wall: 1251.89, 0.00313339/step, 4.00587 hours remaining, 232.445312 MB of memory in use. ENERGY: 397600 3946.3038 20495.5138 14461.1220 261.9867 -203755.6408 2388.9010 0.0000 0.0000 52027.3995 -110174.4141 299.0022 -162201.8135 -109800.2836 298.5245 -192.2200 -159.5017 760113.5887 3.1072 3.0877 PRESSURE: 397800 163.586 19.4581 -109.622 19.4576 405.351 -218.546 -109.622 -218.546 350.075 GPRESSURE: 397800 195.727 -17.0611 -202.234 -18.8558 431.787 -181.195 -117.342 -124.189 390.562 PRESSAVG: 397800 -24.9828 -38.5821 -31.4137 -38.582 38.0931 -2.61209 -31.4137 -2.61213 9.29108 GPRESSAVG: 397800 -23.8187 -39.9091 -31.2763 -37.8292 38.4893 -2.73626 -31.7727 -1.1106 8.30153 TIMING: 397800 CPU: 1252.53, 0.00315947/step Wall: 1252.53, 0.00315947/step, 4.03904 hours remaining, 232.445312 MB of memory in use. ENERGY: 397800 3954.1102 20570.6250 14466.9511 266.1371 -204063.2543 2871.9365 0.0000 0.0000 51966.7878 -109966.7066 298.6538 -161933.4944 -109603.0931 298.4822 306.3374 339.3589 758860.1511 7.4671 7.6574 PRESSURE: 398000 216.968 -167.009 70.0947 -167.009 52.3167 183.715 70.0941 183.715 37.907 GPRESSURE: 398000 285.82 -98.1817 55.0956 -240.124 28.7629 181.21 33.2372 68.3684 100.07 PRESSAVG: 398000 12.3638 -64.2753 -46.2587 -64.2753 -57.0759 -8.62634 -46.2588 -8.62638 -16.1019 GPRESSAVG: 398000 10.915 -61.5164 -47.4922 -64.9267 -56.8243 -8.47959 -45.26 -9.39349 -15.1316 TIMING: 398000 CPU: 1253.16, 0.00314585/step Wall: 1253.16, 0.00314585/step, 4.02144 hours remaining, 232.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 398000 4009.6804 20626.8442 14420.5924 247.7043 -203926.8471 2683.2672 0.0000 0.0000 52085.4471 -109853.3114 299.3358 -161938.7586 -109499.2667 299.0728 102.3971 138.2176 760172.5987 -20.2714 -20.3469 PRESSURE: 398200 -347.286 -286.948 -119.91 -286.949 -325.425 94.3787 -119.909 94.3792 177.738 GPRESSURE: 398200 -318.908 -256.593 -73.5069 -207.759 -258.588 133.186 -196.431 70.2967 183.209 PRESSAVG: 398200 3.36867 -74.3438 -24.7454 -74.3438 28.7879 -17.6658 -24.7455 -17.6659 -9.7665 GPRESSAVG: 398200 4.54405 -75.8526 -23.3496 -73.4317 27.8838 -16.9957 -25.3429 -20.0788 -9.54932 TIMING: 398200 CPU: 1253.79, 0.00315184/step Wall: 1253.79, 0.00315184/step, 4.02892 hours remaining, 232.445312 MB of memory in use. ENERGY: 398200 4010.7488 20664.4537 14423.3504 255.0641 -203671.3384 2545.5853 0.0000 0.0000 52116.0934 -109656.0428 299.5119 -161772.1362 -109301.0940 299.1272 -164.9908 -131.4290 759870.4670 7.4633 7.6262 PRESSURE: 398400 -38.9204 -204.031 46.9925 -204.031 268.027 291.19 46.9922 291.19 13.0597 GPRESSURE: 398400 79.1311 -182.67 178.196 -236.426 261.595 298.582 244.433 380.647 -21.6423 PRESSAVG: 398400 -30.6028 -40.6143 26.8709 -40.6143 20.3971 -20.7908 26.8709 -20.7908 -18.3266 GPRESSAVG: 398400 -31.3597 -40.5051 27.1258 -41.0425 20.7964 -20.157 27.7638 -19.462 -19.0208 TIMING: 398400 CPU: 1254.41, 0.0031346/step Wall: 1254.41, 0.0031346/step, 4.00671 hours remaining, 232.445312 MB of memory in use. ENERGY: 398400 4034.1445 20503.0557 14511.4911 256.3891 -203811.1297 2748.0201 0.0000 0.0000 52101.4526 -109656.5765 299.4278 -161758.0291 -109295.8447 299.8902 80.7220 106.3613 760391.6451 -9.5107 -9.8613 PRESSURE: 398600 -139.419 -113.27 48.6385 -113.271 374.498 -34.7808 48.6376 -34.781 52.4013 GPRESSURE: 398600 -96.9263 -85.9315 66.0468 -179.409 413.452 -13.2731 78.6314 116.947 77.3741 PRESSAVG: 398600 -64.0035 -49.606 -47.3583 -49.606 92.978 -71.8293 -47.3584 -71.8294 5.55668 GPRESSAVG: 398600 -62.9497 -49.2135 -47.1278 -48.1191 92.2341 -71.0154 -47.0396 -69.4893 5.0572 TIMING: 398600 CPU: 1255.04, 0.00315545/step Wall: 1255.04, 0.00315545/step, 4.03319 hours remaining, 232.445312 MB of memory in use. ENERGY: 398600 3953.9843 20487.6251 14416.6015 239.6252 -203677.3533 2582.3504 0.0000 0.0000 52490.4191 -109506.7475 301.6632 -161997.1666 -109147.7175 299.4195 95.8268 131.3000 759604.1448 11.5104 11.4472 PRESSURE: 398800 -215.669 -34.3328 -21.5683 -34.3338 64.5355 86.4061 -21.5676 86.4051 182.928 GPRESSURE: 398800 -83.8171 14.2084 -74.8453 -36.3907 52.3167 -54.5427 19.3457 -90.8571 152.512 PRESSAVG: 398800 -74.049 -38.2457 -4.24299 -38.2458 91.6452 -11.2742 -4.24294 -11.2741 2.87488 GPRESSAVG: 398800 -75.2376 -38.9653 -5.25316 -39.0635 92.5597 -12.4146 -6.15329 -14.8214 3.57188 TIMING: 398800 CPU: 1255.67, 0.00312642/step Wall: 1255.67, 0.00312642/step, 3.99592 hours remaining, 232.445312 MB of memory in use. ENERGY: 398800 3896.5555 20546.6259 14512.0066 249.1386 -203344.2906 2377.2610 0.0000 0.0000 52228.9621 -109533.7410 300.1606 -161762.7031 -109166.9337 299.2068 10.5979 40.3372 759961.4353 6.8237 6.9647 PRESSURE: 399000 -3.56871 -128.724 115.868 -128.723 -271.593 353.728 115.868 353.728 -16.9526 GPRESSURE: 399000 -6.06509 -117.973 171.15 -239.939 -183.039 419.734 -20.1019 290.485 -24.4462 PRESSAVG: 399000 -87.8937 11.968 10.9929 11.968 77.7803 -9.7031 10.993 -9.70313 -1.97816 GPRESSAVG: 399000 -87.878 12.5226 12.4333 9.04636 78.4546 -10.1293 11.3076 -8.66512 -2.63669 TIMING: 399000 CPU: 1256.3, 0.00314284/step Wall: 1256.3, 0.00314284/step, 4.01673 hours remaining, 232.445312 MB of memory in use. ENERGY: 399000 3957.1642 20348.3953 14446.1276 246.0809 -203077.6623 2355.0496 0.0000 0.0000 52379.7526 -109345.0921 301.0272 -161724.8447 -108975.6355 299.6707 -97.3715 -71.1834 759811.8637 -4.0305 -4.0200 PRESSURE: 399200 -24.095 -137.301 -384.265 -137.301 463.285 163.753 -384.265 163.752 50.4412 GPRESSURE: 399200 145.455 -113.404 -331.594 -103.664 379.123 138.784 -240.309 191.666 54.7717 PRESSAVG: 399200 -33.451 -7.09848 37.4866 -7.09849 33.1539 20.7369 37.4866 20.737 -11.5201 GPRESSAVG: 399200 -33.3068 -7.27834 36.7409 -4.71182 31.5632 22.4616 38.8035 20.4119 -9.93109 TIMING: 399200 CPU: 1256.93, 0.00313963/step Wall: 1256.93, 0.00313963/step, 4.01244 hours remaining, 232.445312 MB of memory in use. ENERGY: 399200 3923.9505 20671.9572 14534.3881 236.9740 -203631.7890 2750.5606 0.0000 0.0000 52110.0794 -109403.8792 299.4773 -161513.9586 -109054.8433 299.2674 163.2105 193.1165 759235.0466 -3.9391 -3.8916 PRESSURE: 399400 68.1841 35.4453 108.071 35.4449 -201.054 -85.5453 108.072 -85.5457 -366.942 GPRESSURE: 399400 21.3794 66.1589 51.4671 54.7683 -122.855 6.91814 125.195 -122.643 -324.941 PRESSAVG: 399400 -20.534 32.5026 -26.2566 32.5026 37.5245 2.51748 -26.2566 2.51742 -6.69291 GPRESSAVG: 399400 -19.9426 32.2709 -26.1364 32.3392 38.181 3.50722 -25.7112 1.29508 -7.82508 TIMING: 399400 CPU: 1257.56, 0.00314694/step Wall: 1257.56, 0.00314694/step, 4.02162 hours remaining, 232.445312 MB of memory in use. ENERGY: 399400 4047.3223 20383.2323 14451.6522 267.3799 -203023.1851 2191.7982 0.0000 0.0000 52135.9218 -109545.8783 299.6259 -161681.8001 -109176.7913 299.7643 -166.6038 -142.1387 760896.3298 3.4325 3.4711 PRESSURE: 399600 488.749 -64.6099 26.347 -64.6099 -162.317 103.869 26.3468 103.869 224.429 GPRESSURE: 399600 463.627 31.3988 6.77284 52.5473 -85.5693 120.047 52.5934 6.54661 234.814 PRESSAVG: 399600 24.6153 -23.3504 -16.9028 -23.3504 -4.60913 27.5628 -16.9028 27.5628 5.15791 GPRESSAVG: 399600 24.0606 -22.0124 -17.0308 -24.7808 -3.72832 26.3261 -17.3263 27.9743 5.02983 TIMING: 399600 CPU: 1258.19, 0.00315052/step Wall: 1258.19, 0.00315052/step, 4.02601 hours remaining, 232.445312 MB of memory in use. ENERGY: 399600 4014.5845 20546.2557 14567.5055 243.4262 -203123.1315 2147.4384 0.0000 0.0000 51914.9489 -109688.9723 298.3559 -161603.9213 -109326.4830 298.7808 183.6203 204.2907 759197.6438 8.3880 8.4540 PRESSURE: 399800 -396.476 127.4 292.972 127.399 188.84 -82.9653 292.971 -82.9653 241.178 GPRESSURE: 399800 -298.751 -8.91422 313.459 214.109 242.569 -138.304 188.255 18.3422 186.187 PRESSAVG: 399800 45.6332 -44.302 -38.0241 -44.302 -10.9148 6.40573 -38.024 6.40574 9.28895 GPRESSAVG: 399800 45.4886 -45.392 -36.6337 -43.1637 -10.6232 4.78696 -37.4791 7.82321 9.54024 TIMING: 399800 CPU: 1258.82, 0.00316097/step Wall: 1258.82, 0.00316097/step, 4.03919 hours remaining, 232.445312 MB of memory in use. ENERGY: 399800 4050.1062 20553.8082 14442.4112 245.1260 -203610.3343 2646.5161 0.0000 0.0000 52034.9254 -109637.4411 299.0454 -161672.3665 -109281.8191 298.9311 11.1806 43.3352 758435.2680 14.6691 14.8019 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.014 seconds, 232.445 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.005 seconds, 232.445 MB of memory in use PRESSURE: 400000 -273.358 21.5495 -277.279 21.5491 -134.338 -58.1373 -277.279 -58.1366 116.701 GPRESSURE: 400000 -256.483 -39.278 -305.742 80.8667 -0.674965 -25.0966 -336.649 -126.768 56.7017 PRESSAVG: 400000 11.2961 13.9234 -93.0485 13.9234 13.5227 -1.04527 -93.0485 -1.04529 21.7461 GPRESSAVG: 400000 12.2529 12.592 -92.6965 15.3209 13.4851 0.207621 -95.1283 -0.543888 20.6755 TIMING: 400000 CPU: 1259.47, 0.0032655/step Wall: 1259.47, 0.0032655/step, 4.17259 hours remaining, 232.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 400000 4032.8747 20527.4444 14527.6072 250.2048 -203408.7672 2584.1747 0.0000 0.0000 51761.1950 -109725.2663 297.4723 -161486.4613 -109369.3261 299.1034 -96.9981 -66.8186 761366.4273 15.5216 15.4711 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 PRESSURE: 400200 35.5621 -171.849 -41.4449 -171.849 -195.119 218.39 -41.4459 218.389 233.544 GPRESSURE: 400200 59.854 -54.7238 -30.722 -166.393 -214.758 193.385 -94.3075 100.666 312.502 PRESSAVG: 400200 26.1727 -32.2182 -56.8264 -32.2181 0.937683 20.3798 -56.8264 20.3799 -12.6906 GPRESSAVG: 400200 25.822 -30.9023 -58.8803 -32.86 0.889709 20.8311 -56.4709 19.0161 -12.3374 TIMING: 400200 CPU: 1260.11, 0.00317774/step Wall: 1260.11, 0.00317774/step, 4.06027 hours remaining, 232.445312 MB of memory in use. ENERGY: 400200 3953.5000 20449.8574 14475.1216 238.8733 -202933.5692 2164.8908 0.0000 0.0000 51999.8281 -109651.4981 298.8437 -161651.3261 -109303.0128 298.8486 24.6622 52.5327 760887.5164 4.8066 4.7914 LDB: ============= START OF LOAD BALANCING ============== 1272.5 LDB: ============== END OF LOAD BALANCING =============== 1272.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1272.51 LDB: ============= START OF LOAD BALANCING ============== 1272.82 LDB: Largest compute 7048 load 0.031263 is 16.0% of average load 0.195674 LDB: Average compute 0.004388 is 2.2% of average load 0.195674 LDB: TIME 1272.82 LOAD: AVG 0.195674 MAX 0.216047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 1272.82 LOAD: AVG 0.195674 MAX 0.216047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: TIME 1272.82 LOAD: AVG 0.195674 MAX 0.216047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: ============== END OF LOAD BALANCING =============== 1272.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1272.83 PRESSURE: 400400 -76.949 57.619 274.214 57.619 -126.886 -218.134 274.214 -218.134 -120.991 GPRESSURE: 400400 37.027 31.7051 353.188 34.0761 -138.601 -232.857 310.691 -40.3752 -154.441 PRESSAVG: 400400 43.6245 -71.4844 -7.83317 -71.4844 -36.2385 30.9506 -7.8332 30.9507 12.5211 GPRESSAVG: 400400 43.2368 -72.3082 -6.47702 -71.0697 -35.7156 30.0145 -6.96057 33.0734 12.093 TIMING: 400400 CPU: 1260.75, 0.00319857/step Wall: 1260.75, 0.00319857/step, 4.0867 hours remaining, 231.570312 MB of memory in use. ENERGY: 400400 3968.8496 20568.8003 14425.9186 227.1972 -203580.7000 2702.3194 0.0000 0.0000 52104.3259 -109583.2890 299.4443 -161687.6150 -109230.0095 298.8197 -108.2754 -85.3385 760553.1141 6.6357 6.5381 PRESSURE: 400600 -180.802 -8.99023 -264.08 -8.98925 -56.0168 28.9537 -264.079 28.9538 -210.51 GPRESSURE: 400600 -131.478 72.1666 -222.741 90.3276 7.00768 23.7569 -169.515 56.115 -218.03 PRESSAVG: 400600 -39.4763 -102.092 -19.638 -102.092 32.9729 -52.5924 -19.638 -52.5924 -17.2669 GPRESSAVG: 400600 -38.3778 -101.92 -19.8265 -101.457 31.4382 -53.0576 -20.3304 -53.1147 -17.0698 TIMING: 400600 CPU: 1261.37, 0.00313846/step Wall: 1261.37, 0.00313846/step, 4.00973 hours remaining, 231.570312 MB of memory in use. ENERGY: 400600 3992.4285 20471.1995 14520.9399 249.7378 -203348.3986 2484.1517 0.0000 0.0000 51799.7800 -109830.1612 297.6940 -161629.9412 -109466.3230 298.8772 -149.1097 -114.1668 759196.1918 -7.9234 -8.0031 PRESSURE: 400800 28.6248 -142.04 -184.487 -142.04 147.043 60.9228 -184.487 60.9222 -53.6175 GPRESSURE: 400800 96.0971 -220.264 -117.485 -126.639 122.828 114.708 -256.206 -96.566 -23.5218 PRESSAVG: 400800 9.29141 -65.3448 -16.9106 -65.3448 -32.9239 -54.3876 -16.9107 -54.3876 10.558 GPRESSAVG: 400800 7.25968 -66.427 -15.2211 -65.9558 -30.1965 -54.3538 -17.3553 -57.737 10.0737 TIMING: 400800 CPU: 1262.01, 0.00316784/step Wall: 1262.01, 0.00316784/step, 4.04709 hours remaining, 231.570312 MB of memory in use. ENERGY: 400800 3876.0421 20409.1663 14413.7983 238.2769 -203798.2374 2803.8449 0.0000 0.0000 52306.9834 -109750.1255 300.6090 -162057.1089 -109382.7596 298.8361 40.6835 65.1344 759688.6277 -4.3582 -4.2877 PRESSURE: 401000 243.349 -137.779 -92.2369 -137.78 -122.027 -170.035 -92.2354 -170.035 117.996 GPRESSURE: 401000 250.251 -100.661 -35.0926 2.66285 -94.638 -150.415 -77.6132 -123.915 167.491 PRESSAVG: 401000 6.17272 -59.4959 18.7475 -59.4959 -50.5323 10.0817 18.7476 10.0818 4.09282 GPRESSAVG: 401000 7.11445 -59.0533 15.2456 -59.7991 -52.2406 10.4423 21.8146 12.5693 4.99809 TIMING: 401000 CPU: 1262.64, 0.00315099/step Wall: 1262.64, 0.00315099/step, 4.02539 hours remaining, 231.570312 MB of memory in use. ENERGY: 401000 3992.3931 20455.5763 14417.4008 217.5543 -203232.2428 2404.6864 0.0000 0.0000 51925.9674 -109818.6645 298.4192 -161744.6319 -109451.2957 298.8069 79.7725 107.7013 760814.7137 -13.4223 -13.3760 PRESSURE: 401200 -310.748 -162.097 10.3408 -162.097 -394.564 33.674 10.3402 33.6745 -247.599 GPRESSURE: 401200 -311.619 -129.943 22.1054 -251.224 -337.929 62.3264 -66.275 36.1572 -216.254 PRESSAVG: 401200 7.39526 -80.0016 31.0827 -80.0016 36.3427 -22.1344 31.0827 -22.1345 23.0371 GPRESSAVG: 401200 6.98987 -77.9692 33.4725 -82.2684 36.4862 -21.4589 29.0801 -21.4277 22.7556 TIMING: 401200 CPU: 1263.26, 0.00313725/step Wall: 1263.26, 0.00313725/step, 4.00766 hours remaining, 231.570312 MB of memory in use. ENERGY: 401200 4033.2776 20492.1884 14505.2937 249.0624 -202902.5302 2111.4994 0.0000 0.0000 52052.4270 -109458.7816 299.1460 -161511.2086 -109101.0016 299.5482 -317.6372 -288.6006 760501.8542 22.2583 22.0772 PRESSURE: 401400 -61.4682 96.2448 -103.122 96.2445 35.7903 -8.81628 -103.122 -8.81581 -208.432 GPRESSURE: 401400 -19.107 117.32 -90.1342 67.957 85.298 -70.1047 -173.632 -78.5931 -224.781 PRESSAVG: 401400 3.81058 -4.2595 49.487 -4.2595 23.1319 -21.6053 49.4869 -21.6053 -11.7199 GPRESSAVG: 401400 5.46491 -4.37324 47.6846 -2.97541 22.0152 -23.426 50.0088 -22.8467 -12.9279 TIMING: 401400 CPU: 1263.89, 0.00313946/step Wall: 1263.89, 0.00313946/step, 4.01031 hours remaining, 231.570312 MB of memory in use. ENERGY: 401400 4007.5427 20497.2128 14470.4380 283.9215 -203425.1735 2713.9996 0.0000 0.0000 51787.6704 -109664.3884 297.6245 -161452.0588 -109311.2380 299.5434 -78.0366 -52.8633 761075.4219 5.0742 4.8507 PRESSURE: 401600 408.368 53.5827 59.201 53.5816 -159.233 -209.425 59.2012 -209.425 141.83 GPRESSURE: 401600 441.987 -32.8001 -63.8284 -4.16993 -127.496 -225.586 244.849 -112.084 184.902 PRESSAVG: 401600 -21.5688 -26.9587 10.67 -26.9588 11.7988 -38.0548 10.6701 -38.0547 21.0161 GPRESSAVG: 401600 -23.0966 -27.6135 9.50733 -26.774 11.7769 -39.5575 12.1604 -36.4305 22.6829 TIMING: 401600 CPU: 1264.52, 0.00316067/step Wall: 1264.52, 0.00316067/step, 4.03723 hours remaining, 231.570312 MB of memory in use. ENERGY: 401600 3984.2240 20696.3992 14554.6382 242.7047 -203804.1808 2475.6424 0.0000 0.0000 51970.6570 -109879.9154 298.6761 -161850.5724 -109516.8267 298.7493 130.3217 166.4645 759385.2755 3.7487 3.7877 PRESSURE: 401800 -148.996 -83.7172 -36.3358 -83.7172 0.856566 -97.6464 -36.336 -97.6464 -63.8803 GPRESSURE: 401800 -166.677 -248.64 31.6843 0.681078 44.3502 -185.839 -53.5131 -139.763 18.1953 PRESSAVG: 401800 -30.2875 -37.5498 -13.0381 -37.5498 41.1583 -44.5564 -13.0381 -44.5563 -2.80253 GPRESSAVG: 401800 -30.7921 -36.8051 -12.1631 -36.5712 41.7814 -41.7937 -15.321 -45.1869 -3.52069 TIMING: 401800 CPU: 1265.16, 0.00317382/step Wall: 1265.16, 0.00317382/step, 4.05385 hours remaining, 231.570312 MB of memory in use. ENERGY: 401800 3989.0578 20565.7716 14452.0687 221.3202 -203585.7769 2570.5877 0.0000 0.0000 51839.6943 -109947.2766 297.9234 -161786.9709 -109595.1639 299.1154 -70.6731 -34.7105 760209.3003 2.6894 2.4895 PRESSURE: 402000 25.2505 -290.449 133.732 -290.449 74.7319 32.1015 133.733 32.1013 16.0976 GPRESSURE: 402000 144.87 -348.189 110.351 -205.546 35.6151 54.5751 55.9659 45.6958 3.72149 PRESSAVG: 402000 -38.8996 -84.2658 25.709 -84.2659 52.3641 6.18106 25.7089 6.18103 -3.61708 GPRESSAVG: 402000 -38.3872 -86.4462 27.0749 -83.4053 51.3945 6.00933 24.5055 5.87999 -3.44452 TIMING: 402000 CPU: 1265.79, 0.0031751/step Wall: 1265.79, 0.0031751/step, 4.05531 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 402000 4020.9310 20531.3226 14498.0749 228.6794 -204175.0949 2863.4090 0.0000 0.0000 51944.0678 -110088.6103 298.5233 -162032.6780 -109724.5480 298.7914 38.6933 61.4023 758721.5622 3.2825 3.1876 PRESSURE: 402200 125.371 -43.4554 110.604 -43.4546 297.94 -194.266 110.604 -194.266 270.93 GPRESSURE: 402200 50.4778 83.0336 135.214 -13.2593 305.815 -174.476 147.224 -223.603 399.618 PRESSAVG: 402200 -7.16437 -14.2343 10.7667 -14.2342 45.1116 -23.0987 10.7667 -23.0987 18.7298 GPRESSAVG: 402200 -8.61602 -13.4593 9.57704 -12.9521 45.6017 -24.008 11.151 -24.0632 19.359 TIMING: 402200 CPU: 1266.42, 0.00314918/step Wall: 1266.42, 0.00314918/step, 4.02203 hours remaining, 231.570312 MB of memory in use. ENERGY: 402200 3994.8965 20525.9812 14475.1598 240.6209 -203638.4012 2617.9744 0.0000 0.0000 52004.2628 -109779.5056 298.8692 -161783.7684 -109432.8574 298.5605 231.4135 251.9702 757981.8852 18.8923 18.7815 PRESSURE: 402400 230.804 0.326966 -152.958 0.326243 487.701 -57.4953 -152.958 -57.4951 102.04 GPRESSURE: 402400 283.227 -126.413 -162.053 -0.505123 540.586 61.9842 -86.503 0.46002 91.7826 PRESSAVG: 402400 -57.9923 -48.5618 2.71566 -48.5618 56.9084 14.1497 2.71562 14.1497 -11.9646 GPRESSAVG: 402400 -56.2899 -48.9093 3.4628 -50.6886 56.6598 14.4878 4.17198 13.5128 -13.5415 TIMING: 402400 CPU: 1267.05, 0.00315006/step Wall: 1267.05, 0.00315006/step, 4.02298 hours remaining, 231.570312 MB of memory in use. ENERGY: 402400 3943.2459 20550.3583 14448.5289 248.9765 -203740.8457 2899.4400 0.0000 0.0000 51971.8106 -109678.4855 298.6827 -161650.2961 -109324.7629 298.7042 273.5149 305.1986 758686.1573 -4.3495 -4.3905 PRESSURE: 402600 -408.092 -34.8288 84.7138 -34.8282 -88.4734 62.5426 84.7131 62.5422 360.742 GPRESSURE: 402600 -386.344 -76.0943 -60.8707 -16.1789 -57.3204 92.7995 -12.6506 -19.9553 397.195 PRESSAVG: 402600 -35.0028 -69.9852 -4.49566 -69.9852 8.9366 12.8262 -4.49568 12.8263 -12.4389 GPRESSAVG: 402600 -35.5592 -68.0984 -6.20793 -71.2597 8.69257 12.0241 -5.57638 14.7804 -11.2249 TIMING: 402600 CPU: 1267.68, 0.00314142/step Wall: 1267.68, 0.00314142/step, 4.01177 hours remaining, 231.570312 MB of memory in use. ENERGY: 402600 3991.0024 20500.2287 14523.0247 245.0330 -203328.0787 2381.7176 0.0000 0.0000 52190.2731 -109496.7991 299.9382 -161687.0722 -109129.8331 299.3928 -45.2743 -15.4901 759572.3252 -12.8350 -12.6972 PRESSURE: 402800 -298.687 -17.6368 -223.357 -17.6371 -25.3067 -294.013 -223.358 -294.014 237 GPRESSURE: 402800 -199.4 51.4513 -272.662 -58.7492 26.898 -210.015 -92.9755 -360.069 169.068 PRESSAVG: 402800 -18.905 0.74267 6.58982 0.742663 43.4335 -42.894 6.58982 -42.8941 10.4215 GPRESSAVG: 402800 -18.7012 1.15261 8.60278 1.43837 43.7231 -40.205 6.36289 -44.0813 9.5815 TIMING: 402800 CPU: 1268.31, 0.00313988/step Wall: 1268.31, 0.00313988/step, 4.00963 hours remaining, 231.570312 MB of memory in use. ENERGY: 402800 4048.0338 20553.0117 14475.6762 259.4604 -203292.2785 2341.9631 0.0000 0.0000 52206.0533 -109408.0800 300.0289 -161614.1332 -109056.6233 299.2754 -28.9980 -1.1446 760383.4457 11.6500 11.5345 PRESSURE: 403000 -130.701 -28.6396 93.4916 -28.6396 4.44147 -354.856 93.4912 -354.857 -143.196 GPRESSURE: 403000 -164.388 -106.727 47.1885 -189.647 41.4581 -344.122 149.877 -314.544 -72.572 PRESSAVG: 403000 -41.4649 -0.892819 -14.9912 -0.892856 40.1675 -101.839 -14.9912 -101.839 -12.9296 GPRESSAVG: 403000 -42.3759 -1.22425 -16.4189 -0.409847 41.1891 -103.508 -13.6549 -99.811 -12.7239 TIMING: 403000 CPU: 1268.94, 0.00314739/step Wall: 1268.94, 0.00314739/step, 4.01904 hours remaining, 231.570312 MB of memory in use. ENERGY: 403000 3985.8072 20871.5020 14488.1448 242.6386 -203217.4508 2449.9551 0.0000 0.0000 51901.8769 -109277.5262 298.2808 -161179.4031 -108915.4674 300.0895 -89.8185 -65.1673 760175.3333 -4.7423 -4.6369 PRESSURE: 403200 -159.785 5.20577 123.584 5.20536 19.1547 173.47 123.583 173.47 -147.627 GPRESSURE: 403200 -132.881 -10.508 108.027 42.0537 50.1638 213.551 118.266 122.882 -114.676 PRESSAVG: 403200 -42.6038 -12.8906 -26.7385 -12.8906 23.9902 -74.2988 -26.7385 -74.2988 14.3477 GPRESSAVG: 403200 -43.049 -15.0929 -26.2288 -13.6616 22.8296 -73.4971 -26.6805 -76.5655 14.9588 TIMING: 403200 CPU: 1269.57, 0.00313257/step Wall: 1269.57, 0.00313257/step, 3.99995 hours remaining, 231.570312 MB of memory in use. ENERGY: 403200 4056.1540 20473.7372 14484.4685 264.9143 -203321.7417 2653.6464 0.0000 0.0000 51961.3372 -109427.4841 298.6225 -161388.8213 -109071.1995 299.6100 -96.0858 -65.7977 760838.7568 -1.4220 -1.7535 PRESSURE: 403400 23.8819 -93.686 -44.1314 -93.6858 72.0173 -95.6687 -44.1321 -95.669 -171.363 GPRESSURE: 403400 37.1062 18.1054 -131.23 -66.5816 126.913 -186.969 43.9215 -84.3964 -140.97 PRESSAVG: 403400 59.2203 -13.3071 -65.3255 -13.3071 -9.99487 -26.1201 -65.3255 -26.12 -2.50178 GPRESSAVG: 403400 61.0622 -10.6717 -65.5604 -12.2825 -10.621 -27.2735 -65.2701 -24.7253 -3.10485 TIMING: 403400 CPU: 1270.19, 0.00313021/step Wall: 1270.19, 0.00313021/step, 3.99675 hours remaining, 231.570312 MB of memory in use. ENERGY: 403400 3943.7530 20529.7619 14475.7930 238.5077 -203507.9386 2724.7673 0.0000 0.0000 52160.4504 -109434.9054 299.7668 -161595.3557 -109066.6337 299.9879 -25.1544 7.6828 759618.2466 15.5746 15.7788 PRESSURE: 403600 13.5211 -111.877 189.615 -111.878 -249.771 -8.09392 189.616 -8.09296 -53.8595 GPRESSURE: 403600 95.5967 -92.5944 106.593 -140.757 -224.984 -7.5194 80.9346 14.4629 -66.1378 PRESSAVG: 403600 -23.7683 -109.969 -17.8666 -109.969 -32.6873 31.6568 -17.8667 31.6568 10.5361 GPRESSAVG: 403600 -23.9061 -111.091 -16.2027 -110.871 -31.8415 32.2447 -18.3354 29.4051 9.41267 TIMING: 403600 CPU: 1270.82, 0.003127/step Wall: 1270.82, 0.003127/step, 3.99248 hours remaining, 231.570312 MB of memory in use. ENERGY: 403600 4018.5154 20409.2171 14450.3562 275.7604 -203595.8352 2623.5362 0.0000 0.0000 52038.7105 -109779.7394 299.0672 -161818.4499 -109416.5165 298.6497 -96.7031 -65.1751 760335.8742 -15.3065 -15.4450 PRESSURE: 403800 -69.1457 219.015 -106.898 219.015 -85.4964 46.7016 -106.897 46.7014 -264.27 GPRESSURE: 403800 -0.651854 249.271 -99.6933 267.295 -9.31591 46.6955 -192.357 61.1379 -324.425 PRESSAVG: 403800 22.2705 -65.6676 -70.9508 -65.6676 -4.38502 -25.4352 -70.9507 -25.4352 3.60756 GPRESSAVG: 403800 22.1413 -63.5787 -72.1712 -64.3432 -6.00023 -25.3227 -69.4132 -22.6545 5.05779 TIMING: 403800 CPU: 1271.45, 0.00315451/step Wall: 1271.45, 0.00315451/step, 4.02743 hours remaining, 231.570312 MB of memory in use. ENERGY: 403800 3993.2215 20467.2268 14434.1471 257.1232 -203005.8521 2220.1888 0.0000 0.0000 51901.3996 -109732.5449 298.2781 -161633.9446 -109368.6567 298.8704 -139.6372 -111.4642 760264.1611 7.1644 7.0663 PRESSURE: 404000 -8.56437 -75.5638 98.9884 -75.5644 -213.644 -71.2671 98.9881 -71.2665 -34.1501 GPRESSURE: 404000 43.5987 -1.51004 40.142 -98.7552 -164.115 15.1555 73.3241 -154.825 -45.6575 PRESSAVG: 404000 -59.6786 12.6035 -56.4919 12.6035 30.8121 -19.8312 -56.4919 -19.8312 -9.72727 GPRESSAVG: 404000 -61.7494 13.5112 -55.8135 10.462 32.9487 -20.5926 -57.7966 -23.8426 -9.81782 TIMING: 404000 CPU: 1272.08, 0.00313953/step Wall: 1272.08, 0.00313953/step, 4.00813 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 404000 4053.0766 20529.5911 14425.6753 229.6484 -203168.8105 2268.7359 0.0000 0.0000 51961.2206 -109700.8626 298.6218 -161662.0831 -109329.8316 298.8124 -85.4529 -55.3911 761122.2087 -12.8646 -12.8728 PRESSURE: 404200 -454.72 -199.882 -196.752 -199.882 74.8268 10.299 -196.752 10.2981 252.106 GPRESSURE: 404200 -442.544 -305.911 -214.076 -126.323 187.564 16.1695 -177.343 47.8463 216.554 PRESSAVG: 404200 -105.429 -52.249 -19.2821 -52.249 95.0407 6.89498 -19.2821 6.89502 -2.66721 GPRESSAVG: 404200 -104.424 -53.3429 -21.0362 -51.6539 94.2019 6.72347 -19.3035 7.26763 -2.52178 TIMING: 404200 CPU: 1272.71, 0.0031473/step Wall: 1272.71, 0.00314729/step, 4.01787 hours remaining, 231.570312 MB of memory in use. ENERGY: 404200 4036.1946 20377.1655 14397.8919 239.0160 -203369.0352 2381.0682 0.0000 0.0000 52124.1812 -109813.5179 299.5584 -161937.6991 -109462.5616 299.1185 -42.5959 -12.8089 761916.0013 -4.3519 -4.2479 LDB: ============= START OF LOAD BALANCING ============== 1285.1 LDB: ============== END OF LOAD BALANCING =============== 1285.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1285.1 LDB: ============= START OF LOAD BALANCING ============== 1285.42 LDB: Largest compute 7064 load 0.032267 is 16.5% of average load 0.195610 LDB: Average compute 0.004395 is 2.2% of average load 0.195610 LDB: TIME 1285.42 LOAD: AVG 0.19561 MAX 0.215494 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.875 MB LDB: TIME 1285.42 LOAD: AVG 0.19561 MAX 0.215494 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.875 MB LDB: TIME 1285.42 LOAD: AVG 0.19561 MAX 0.215494 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.875 MB LDB: ============== END OF LOAD BALANCING =============== 1285.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1285.43 PRESSURE: 404400 43.8403 -16.7333 -273.581 -16.7347 -452.475 13.3936 -273.581 13.3942 -105.281 GPRESSURE: 404400 90.9479 -43.2582 -332.991 -84.0845 -388.955 -14.706 -104.944 9.3513 -130.766 PRESSAVG: 404400 -93.8216 -50.0538 -37.9564 -50.0538 48.4901 -11.6893 -37.9564 -11.6893 6.5563 GPRESSAVG: 404400 -93.5011 -49.9891 -36.4921 -50.5976 48.0722 -13.1164 -37.8236 -10.2726 6.65232 TIMING: 404400 CPU: 1273.35, 0.00319731/step Wall: 1273.35, 0.00319732/step, 4.08155 hours remaining, 231.878906 MB of memory in use. ENERGY: 404400 4083.3262 20423.7606 14395.6433 235.3365 -203125.0638 2381.7608 0.0000 0.0000 51970.0987 -109635.1377 298.6729 -161605.2365 -109272.5097 299.0929 -171.3053 -142.9242 761030.6117 -12.9251 -12.9255 PRESSURE: 404600 -1.85993 88.5001 58.5955 88.4998 -34.8428 -47.431 58.5963 -47.4311 428.926 GPRESSURE: 404600 -53.981 36.9527 -14.368 -79.51 48.6917 50.2316 68.614 23.0558 465.767 PRESSAVG: 404600 -73.2879 -70.698 -45.5799 -70.698 62.9358 -14.8355 -45.5799 -14.8356 -15.5516 GPRESSAVG: 404600 -73.7464 -71.3596 -45.5676 -70.3717 62.1686 -12.7224 -46.7088 -13.6165 -14.1275 TIMING: 404600 CPU: 1273.98, 0.00314886/step Wall: 1273.98, 0.00314886/step, 4.01952 hours remaining, 232.136719 MB of memory in use. ENERGY: 404600 3965.7587 20346.9669 14442.8484 233.4151 -203544.0884 2762.9835 0.0000 0.0000 52480.8911 -109311.2247 301.6084 -161792.1159 -108945.7901 300.1718 130.7410 153.4924 761318.2284 -8.6345 -8.5684 PRESSURE: 404800 -132.807 -93.6222 -2.07703 -93.6227 204.223 -73.3999 -2.07596 -73.3992 -6.08299 GPRESSURE: 404800 -66.7659 -57.8013 58.5035 -13.8309 109.82 -58.536 13.8191 -25.5399 110.288 PRESSAVG: 404800 -44.9393 -78.8263 -23.1091 -78.8263 30.8645 41.4671 -23.109 41.4671 8.53811 GPRESSAVG: 404800 -45.3346 -79.4622 -23.4463 -76.5883 32.2318 39.9768 -22.1686 42.0461 7.43198 TIMING: 404800 CPU: 1274.61, 0.00315533/step Wall: 1274.61, 0.00315533/step, 4.02761 hours remaining, 232.136719 MB of memory in use. ENERGY: 404800 3945.2252 20588.1926 14392.2044 242.2693 -203266.1551 2559.4485 0.0000 0.0000 52286.8056 -109252.0096 300.4930 -161538.8151 -108900.6253 300.2565 21.7777 51.1140 762167.6493 -1.8456 -1.8903 PRESSURE: 405000 -136.435 -335.076 109.674 -335.076 0.974656 -99.9048 109.675 -99.9042 98.8857 GPRESSURE: 405000 -59.3709 -250.623 132.193 -279.354 3.07345 -132.727 146.97 -102.765 136.648 PRESSAVG: 405000 -80.4315 -84.0409 14.3301 -84.0409 29.7521 -6.916 14.3302 -6.91595 23.1241 GPRESSAVG: 405000 -80.1138 -82.4954 13.7274 -86.2077 30.0749 -4.83924 14.9163 -7.7843 23.0704 TIMING: 405000 CPU: 1275.24, 0.00314749/step Wall: 1275.24, 0.00314749/step, 4.01742 hours remaining, 232.136719 MB of memory in use. ENERGY: 405000 3974.9949 20398.3070 14430.5586 259.3149 -203152.2741 2432.4939 0.0000 0.0000 52326.5650 -109330.0398 300.7215 -161656.6048 -108960.8189 299.8729 -12.1917 26.7837 761859.5023 -9.1851 -8.9895 PRESSURE: 405200 -224.328 -18.4681 -163.625 -18.468 -49.059 -138.606 -163.625 -138.607 106.364 GPRESSURE: 405200 -258.931 67.8351 -146.905 -78.9459 79.5886 -179.864 -134.155 -258.688 108.473 PRESSAVG: 405200 -46.87 -72.54 -9.82164 -72.54 39.2356 -9.2755 -9.82164 -9.27561 -22.945 GPRESSAVG: 405200 -46.7443 -72.6793 -9.68029 -71.0566 39.7611 -10.1958 -10.9128 -10.6924 -24.2506 TIMING: 405200 CPU: 1275.87, 0.00314718/step Wall: 1275.87, 0.00314718/step, 4.01685 hours remaining, 232.136719 MB of memory in use. ENERGY: 405200 4048.2993 20427.6430 14474.2640 237.7049 -203521.3660 2740.2723 0.0000 0.0000 52153.8676 -109439.3150 299.7290 -161593.1826 -109076.0457 299.8546 -55.6744 -23.6231 762020.5150 -10.1931 -10.4113 PRESSURE: 405400 278.359 82.2044 220.052 82.2053 -14.4666 -294.32 220.051 -294.32 -81.6189 GPRESSURE: 405400 217.459 36.272 249.794 -59.6111 59.6759 -255.671 252.821 -254.226 -28.0892 PRESSAVG: 405400 18.335 -29.1592 6.27299 -29.1592 4.77056 6.45778 6.27303 6.45775 -8.87151 GPRESSAVG: 405400 18.7057 -32.5843 8.08059 -29.3697 3.55882 5.17035 6.65043 6.74857 -7.70325 TIMING: 405400 CPU: 1276.5, 0.00316923/step Wall: 1276.5, 0.00316923/step, 4.04481 hours remaining, 232.136719 MB of memory in use. ENERGY: 405400 3980.6763 20454.6310 14510.8594 288.0605 -203514.2865 2677.4966 0.0000 0.0000 52341.8681 -109260.6946 300.8094 -161602.5627 -108896.1598 300.3027 60.7576 83.0153 760496.9273 4.7447 4.8537 PRESSURE: 405600 -188.185 -158.696 47.0067 -158.697 48.773 -271.925 47.0062 -271.926 134.658 GPRESSURE: 405600 -84.4502 -172.488 47.8863 -5.41437 84.7671 -214.35 -154.689 -180.512 76.7589 PRESSAVG: 405600 -38.8843 -51.3291 6.84096 -51.329 59.5211 -24.485 6.84098 -24.485 -25.8217 GPRESSAVG: 405600 -39.9282 -48.8877 6.53847 -52.3985 60.0486 -22.0828 5.20353 -25.2768 -26.1091 TIMING: 405600 CPU: 1277.13, 0.00314966/step Wall: 1277.13, 0.00314966/step, 4.01967 hours remaining, 232.136719 MB of memory in use. ENERGY: 405600 4071.0045 20513.7439 14468.6836 252.6625 -203454.3873 2597.5969 0.0000 0.0000 52355.4433 -109195.2527 300.8875 -161550.6960 -108837.5094 300.1765 -1.5845 25.6919 760201.1769 -1.7283 -1.9962 PRESSURE: 405800 -289.743 1.77276 8.12653 1.77267 -268.338 -20.8412 8.12627 -20.839 -97.4952 GPRESSURE: 405800 -287.288 -160.207 58.4546 16.1166 -162.73 -18.9743 35.951 -33.1985 -104.839 PRESSAVG: 405800 0.142759 -63.6695 -32.4259 -63.6694 67.7437 23.6852 -32.426 23.6852 19.4049 GPRESSAVG: 405800 0.416959 -65.4665 -32.8294 -61.9084 67.5971 21.3495 -31.416 26.1882 19.4681 TIMING: 405800 CPU: 1277.75, 0.00312687/step Wall: 1277.75, 0.00312687/step, 3.9904 hours remaining, 232.136719 MB of memory in use. ENERGY: 405800 3984.0489 20403.1089 14380.0851 248.5411 -202962.9323 2236.4529 0.0000 0.0000 52390.3400 -109320.3554 301.0880 -161710.6954 -108948.4210 300.3814 -218.5253 -184.9523 760164.6035 29.0971 29.1607 PRESSURE: 406000 330.179 -74.0463 113.223 -74.0472 48.6599 94.5025 113.223 94.5023 -370.866 GPRESSURE: 406000 383.702 11.0436 216.622 -59.2354 -51.5226 190.29 101.75 -8.87274 -251.574 PRESSAVG: 406000 -37.303 -24.8787 -26.9788 -24.8787 21.5331 -26.9131 -26.9788 -26.9132 -24.0648 GPRESSAVG: 406000 -37.9231 -24.6795 -27.9538 -24.8959 21.9206 -25.877 -25.8827 -28.1019 -24.1236 TIMING: 406000 CPU: 1278.38, 0.00314346/step Wall: 1278.38, 0.00314346/step, 4.0114 hours remaining, 232.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 406000 4077.3930 20570.7697 14434.0225 245.6552 -202965.6025 2389.9676 0.0000 0.0000 51991.4483 -109256.3461 298.7956 -161247.7944 -108894.4072 299.7031 2.6576 26.8683 760638.7552 -13.2782 -13.3754 PRESSURE: 406200 -234.645 -106.303 -0.150364 -106.304 -130.61 69.6217 -0.150572 69.621 302.492 GPRESSURE: 406200 -251.554 -92.5313 -5.02756 -200.745 -69.3162 3.99624 -41.7656 83.3621 361.655 PRESSAVG: 406200 31.9634 -46.1519 0.734161 -46.1518 -19.0355 42.7992 0.734132 42.7992 -8.1526 GPRESSAVG: 406200 30.9935 -42.8759 2.46594 -48.0121 -19.1054 41.2948 -1.5404 42.7438 -7.66857 TIMING: 406200 CPU: 1279.01, 0.00315017/step Wall: 1279.01, 0.00315017/step, 4.0198 hours remaining, 232.136719 MB of memory in use. ENERGY: 406200 3971.0046 20370.4065 14464.1656 245.7536 -203051.0918 2493.2574 0.0000 0.0000 52331.4309 -109175.0732 300.7495 -161506.5041 -108806.5813 300.1238 -20.9212 13.5949 759995.5417 1.5918 1.4065 PRESSURE: 406400 221.259 -77.3708 -82.032 -77.3723 -439.837 30.0783 -82.0322 30.0776 -347.902 GPRESSURE: 406400 94.9303 -92.3843 -32.4127 -89.2115 -305.907 39.78 -91.872 127.14 -267.633 PRESSAVG: 406400 32.9603 -35.3286 -16.7269 -35.3285 5.86561 35.7629 -16.7269 35.7629 22.5357 GPRESSAVG: 406400 33.8846 -37.7838 -15.5592 -34.9658 6.22967 36.6436 -16.305 33.1682 21.7457 TIMING: 406400 CPU: 1279.64, 0.00315504/step Wall: 1279.64, 0.00315504/step, 4.02583 hours remaining, 232.136719 MB of memory in use. ENERGY: 406400 4020.7586 20493.8870 14422.4595 255.1398 -202783.8800 2324.7942 0.0000 0.0000 52174.4326 -109092.4083 299.8472 -161266.8408 -108725.3510 300.4941 -188.8267 -159.5366 761121.6198 20.4539 20.6200 PRESSURE: 406600 -50.4901 -108.813 -85.3318 -108.813 -61.6859 -122.427 -85.3321 -122.427 -320.57 GPRESSURE: 406600 21.0217 -104.182 -53.6592 -158.351 -67.6587 -27.9935 -74.4292 -166.19 -298.081 PRESSAVG: 406600 20.9385 5.03734 2.30724 5.03736 -36.3262 -36.8947 2.30724 -36.8948 -9.7711 GPRESSAVG: 406600 23.2814 5.09299 1.46326 4.2049 -37.8368 -35.9858 3.98253 -34.8683 -10.9683 TIMING: 406600 CPU: 1280.27, 0.00312925/step Wall: 1280.27, 0.00312925/step, 3.99274 hours remaining, 232.136719 MB of memory in use. ENERGY: 406600 3948.5271 20507.1113 14474.6655 249.4473 -203156.0453 2481.6456 0.0000 0.0000 52280.3607 -109214.2878 300.4560 -161494.6486 -108849.4128 300.4325 -144.2487 -114.9060 761022.6140 -8.3863 -8.5079 PRESSURE: 406800 -355.963 140.788 78.567 140.789 -27.7356 -37.8202 78.5686 -37.8211 325.559 GPRESSURE: 406800 -240.96 9.31091 86.2441 68.2169 40.0564 5.0283 67.1823 54.9757 217.141 PRESSAVG: 406800 7.7336 -17.3321 -31.9265 -17.332 34.1032 -67.34 -31.9266 -67.3399 12.0505 GPRESSAVG: 406800 7.2233 -17.1778 -32.3539 -17.4228 35.1053 -67.4166 -32.7616 -67.1143 12.1965 TIMING: 406800 CPU: 1280.9, 0.00313866/step Wall: 1280.9, 0.00313866/step, 4.00458 hours remaining, 232.136719 MB of memory in use. ENERGY: 406800 4000.3712 20479.8209 14454.4519 258.2393 -203222.8305 2385.1576 0.0000 0.0000 52182.9165 -109461.8731 299.8959 -161644.7896 -109109.1403 299.9974 -19.3799 5.4125 759283.7516 17.9624 18.1750 PRESSURE: 407000 253.736 110.085 -63.0049 110.084 143.561 -50.6109 -63.0055 -50.611 -137.646 GPRESSURE: 407000 276.339 64.3382 -59.3262 107.964 88.0603 -111.999 10.9632 -108.608 -13.1896 PRESSAVG: 407000 -23.7074 -11.3711 -1.018 -11.3711 25.6007 -48.7809 -1.01805 -48.7809 -7.62857 GPRESSAVG: 407000 -23.893 -10.0487 -2.0438 -8.00615 24.2558 -50.6382 -0.0295432 -48.8307 -6.56153 TIMING: 407000 CPU: 1281.52, 0.00312672/step Wall: 1281.52, 0.00312672/step, 3.98917 hours remaining, 232.136719 MB of memory in use. ENERGY: 407000 4042.0450 20551.1103 14333.6969 245.0498 -203329.7083 2423.2902 0.0000 0.0000 52220.2065 -109514.3096 300.1102 -161734.5161 -109159.4487 299.7580 86.5503 117.0698 759117.6213 -1.9117 -2.0662 PRESSURE: 407200 -80.1198 19.7195 -143.486 19.7191 -477.146 186.276 -143.486 186.276 116.741 GPRESSURE: 407200 -31.229 -49.8662 -122.305 18.3016 -384.068 165.625 -11.5934 200.89 51.7462 PRESSAVG: 407200 6.23606 -11.0122 -19.4864 -11.0122 -9.09906 -31.3258 -19.4865 -31.3257 1.38851 GPRESSAVG: 407200 6.96953 -12.5134 -17.0055 -13.8882 -8.53676 -30.8423 -21.2173 -31.5041 0.0103717 TIMING: 407200 CPU: 1282.15, 0.00313635/step Wall: 1282.15, 0.00313635/step, 4.00128 hours remaining, 232.136719 MB of memory in use. ENERGY: 407200 4040.7907 20524.7105 14411.7165 240.4657 -203146.7991 2249.2063 0.0000 0.0000 52100.3373 -109579.5721 299.4214 -161679.9094 -109223.9132 299.8772 -146.8414 -121.1835 760181.2108 -0.4915 -0.5190 PRESSURE: 407400 98.0674 61.9867 -355.503 61.9862 203.505 -122.325 -355.503 -122.324 2.16283 GPRESSURE: 407400 160.306 69.147 -309.44 65.8598 207.294 -190.628 -259.903 -88.4548 27.3719 PRESSAVG: 407400 2.51706 8.16555 -56.0073 8.16557 11.3628 -41.7175 -56.0073 -41.7175 -2.38612 GPRESSAVG: 407400 2.88861 6.9572 -58.6238 11.7362 10.8369 -42.5579 -54.9852 -41.9212 -2.22452 TIMING: 407400 CPU: 1282.78, 0.00315216/step Wall: 1282.78, 0.00315216/step, 4.02128 hours remaining, 232.136719 MB of memory in use. ENERGY: 407400 4048.5766 20491.3415 14441.4338 246.2746 -203462.7711 2589.1233 0.0000 0.0000 51865.2753 -109780.7459 298.0705 -161646.0212 -109427.0429 298.6819 101.2451 131.6574 759328.8545 3.8312 3.8337 PRESSURE: 407600 247.315 97.6485 -68.4082 97.6484 -212.087 -106.641 -68.4081 -106.641 68.3584 GPRESSURE: 407600 312.784 -114 -59.1644 84.462 -209.027 -131.517 -46.222 -149.827 81.0492 PRESSAVG: 407600 23.58 -23.4689 28.7204 -23.4688 -17.8805 -27.6105 28.7203 -27.6106 7.79462 GPRESSAVG: 407600 22.8508 -22.1048 28.5646 -24.6619 -17.8894 -26.7634 26.489 -27.1104 9.2485 TIMING: 407600 CPU: 1283.41, 0.00314346/step Wall: 1283.41, 0.00314346/step, 4.01001 hours remaining, 232.136719 MB of memory in use. ENERGY: 407600 3938.6324 20391.0279 14326.1771 258.8012 -203442.2766 2514.6812 0.0000 0.0000 52079.2207 -109933.7361 299.3000 -162012.9568 -109566.5817 298.9690 34.5289 61.6019 759098.4276 4.4980 4.7366 PRESSURE: 407800 -230.823 109.228 50.9807 109.228 -3.91378 -19.4826 50.9809 -19.4826 318.283 GPRESSURE: 407800 -191.755 -96.294 71.354 84.6125 51.2273 -122.555 -93.6151 95.1161 306.216 PRESSAVG: 407800 -18.8733 17.796 -45.4121 17.796 21.2057 -4.19459 -45.4121 -4.19453 20.5527 GPRESSAVG: 407800 -19.4985 17.2591 -44.8466 15.0336 21.5968 -3.82579 -44.1848 -4.20944 20.5464 TIMING: 407800 CPU: 1284.04, 0.0031503/step Wall: 1284.04, 0.0031503/step, 4.01856 hours remaining, 232.136719 MB of memory in use. ENERGY: 407800 3980.3007 20522.9825 14416.4279 239.9199 -203626.9809 2518.3726 0.0000 0.0000 51932.3085 -110016.6689 298.4557 -161948.9774 -109653.9705 298.6813 27.8486 55.2294 758958.2704 7.6284 7.5482 PRESSURE: 408000 44.2036 -53.6251 86.4203 -53.6247 -221.926 91.2271 86.4205 91.2278 -417.961 GPRESSURE: 408000 90.4289 -59.0375 95.9385 -31.3307 -142.857 131.35 -1.7401 -41.7271 -456.799 PRESSAVG: 408000 23.4678 -15.8413 -16.5602 -15.8412 3.38038 -59.5469 -16.5602 -59.5468 -12.1775 GPRESSAVG: 408000 25.4035 -15.2827 -16.0572 -15.1125 1.97231 -58.2199 -18.0927 -61.2122 -12.0975 TIMING: 408000 CPU: 1284.67, 0.00315157/step Wall: 1284.67, 0.00315157/step, 4.02001 hours remaining, 232.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 408000 3989.8703 20476.2760 14461.2097 243.3310 -203558.4873 2588.1745 0.0000 0.0000 51937.6896 -109861.9363 298.4866 -161799.6259 -109503.9120 298.2650 -198.5612 -169.7424 760401.0925 4.8902 5.0928 PRESSURE: 408200 -78.4745 -13.4136 15.5202 -13.4136 33.1029 -153.299 15.5201 -153.299 132.83 GPRESSURE: 408200 -39.0902 -23.8606 48.2483 16.1204 96.9406 -72.8582 -58.1456 -189.601 154.917 PRESSAVG: 408200 -35.8703 -15.4062 -25.8586 -15.4062 1.58149 -25.7114 -25.8586 -25.7113 -0.650032 GPRESSAVG: 408200 -37.272 -15.4977 -25.822 -14.1801 3.49524 -25.6176 -23.6234 -26.3448 -0.985061 TIMING: 408200 CPU: 1285.3, 0.00314884/step Wall: 1285.3, 0.00314884/step, 4.01634 hours remaining, 232.136719 MB of memory in use. ENERGY: 408200 4037.0416 20585.4051 14440.3627 257.6661 -203770.4392 2733.4521 0.0000 0.0000 51824.0411 -109892.4705 297.8335 -161716.5116 -109528.9837 298.6968 29.1528 70.9226 758838.4554 -11.6463 -11.5873 LDB: ============= START OF LOAD BALANCING ============== 1297.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1297.7 LDB: =============== DONE WITH MIGRATION ================ 1297.7 LDB: ============= START OF LOAD BALANCING ============== 1298.02 LDB: Largest compute 7049 load 0.032302 is 16.5% of average load 0.195718 LDB: Average compute 0.004407 is 2.3% of average load 0.195718 LDB: TIME 1298.02 LOAD: AVG 0.195718 MAX 0.217121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.328 MB LDB: TIME 1298.02 LOAD: AVG 0.195718 MAX 0.217121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.535 MB LDB: TIME 1298.02 LOAD: AVG 0.195718 MAX 0.217121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.535 MB LDB: ============== END OF LOAD BALANCING =============== 1298.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1298.03 PRESSURE: 408400 -64.1957 38.2037 -71.6803 38.2036 -488.654 50.965 -71.6803 50.9643 140.162 GPRESSURE: 408400 -89.8573 19.6897 -57.52 53.1787 -349.225 -14.0369 -191.849 99.3342 115.994 PRESSAVG: 408400 -49.396 -34.829 12.1264 -34.8289 72.4132 -21.7019 12.1264 -21.702 -19.3464 GPRESSAVG: 408400 -49.1064 -34.1395 11.8063 -35.2576 71.9998 -22.1094 10.9598 -19.6556 -19.2256 TIMING: 408400 CPU: 1285.95, 0.00322799/step Wall: 1285.95, 0.00322799/step, 4.11712 hours remaining, 232.574219 MB of memory in use. ENERGY: 408400 3984.1037 20468.1270 14466.1333 229.7350 -203303.7610 2394.8557 0.0000 0.0000 52109.6745 -109651.1318 299.4750 -161760.8063 -109282.0813 298.9916 -137.5626 -107.6959 761115.2287 1.2236 1.2226 PRESSURE: 408600 -176.391 48.8191 -93.4171 48.8181 -189.42 219.352 -93.4173 219.352 -452.369 GPRESSURE: 408600 -170.709 59.6298 -122.968 -65.2012 -204.089 218.714 -63.4294 211.765 -361.651 PRESSAVG: 408600 -55.2889 -40.7965 -43.4134 -40.7964 34.5508 32.3714 -43.4135 32.3714 -12.3252 GPRESSAVG: 408600 -56.0115 -41.7864 -42.0487 -42.6059 33.9555 31.471 -42.6729 32.4411 -11.3167 TIMING: 408600 CPU: 1286.58, 0.00316068/step Wall: 1286.58, 0.00316068/step, 4.0311 hours remaining, 232.574219 MB of memory in use. ENERGY: 408600 4033.7850 20389.8789 14459.1460 231.8270 -203281.0665 2339.5645 0.0000 0.0000 52148.0417 -109678.8234 299.6955 -161826.8652 -109315.7099 299.0226 -272.7269 -245.4831 760684.2860 -11.0211 -11.1242 PRESSURE: 408800 27.2756 30.2647 15.4422 30.2643 127.185 169.887 15.4419 169.887 287.082 GPRESSURE: 408800 81.0467 111.001 6.11233 44.3151 121.655 129.399 -72.2179 149.883 317.908 PRESSAVG: 408800 -37.7492 -40.8182 -78.9008 -40.8182 39.7331 -25.9174 -78.9008 -25.9173 -7.25165 GPRESSAVG: 408800 -36.6956 -40.3053 -79.0613 -39.3989 39.6653 -27.5956 -80.7173 -26.3259 -7.86212 TIMING: 408800 CPU: 1287.21, 0.00313759/step Wall: 1287.21, 0.00313759/step, 4.00148 hours remaining, 232.574219 MB of memory in use. ENERGY: 408800 3982.4482 20482.1001 14486.8724 248.3079 -203616.7826 2667.3140 0.0000 0.0000 52025.7437 -109723.9962 298.9927 -161749.7399 -109365.7870 298.7627 147.1808 173.5365 761789.2184 -1.7559 -1.6308 PRESSURE: 409000 210.979 -92.4848 206.451 -92.484 256.345 9.63598 206.451 9.63605 82.5317 GPRESSURE: 409000 260.027 -37.2449 192.385 -163.364 259.403 -78.7511 82.1464 14.7952 114.692 PRESSAVG: 409000 -17.1032 -24.3551 -60.3532 -24.3551 42.0692 38.3937 -60.3532 38.3937 16.2636 GPRESSAVG: 409000 -17.7553 -25.1038 -60.797 -25.3117 42.1461 39.0927 -59.947 36.1351 16.6403 TIMING: 409000 CPU: 1287.84, 0.00315213/step Wall: 1287.84, 0.00315213/step, 4.01984 hours remaining, 232.574219 MB of memory in use. ENERGY: 409000 4013.2199 20543.0574 14444.7024 242.0373 -203775.8145 2949.8524 0.0000 0.0000 51793.8553 -109789.0898 297.6600 -161582.9450 -109428.6797 299.0061 183.2853 211.3742 760947.4941 13.7432 13.6770 PRESSURE: 409200 -6.13117 27.8168 -121.513 27.8159 -128.764 -196.838 -121.512 -196.837 -19.9038 GPRESSURE: 409200 62.2772 -24.9347 -129.874 127.501 -32.2003 -231.227 -25.7324 -88.3347 -84.4354 PRESSAVG: 409200 26.8112 25.6156 -60.0445 25.6156 -22.3735 -10.2686 -60.0445 -10.2686 17.7067 GPRESSAVG: 409200 26.5663 24.2081 -60.7354 28.9672 -21.3261 -8.54057 -59.1337 -6.60693 17.1787 TIMING: 409200 CPU: 1288.47, 0.00319426/step Wall: 1288.47, 0.00319426/step, 4.07339 hours remaining, 232.574219 MB of memory in use. ENERGY: 409200 4004.2454 20450.5546 14460.2631 256.0630 -204027.2841 2869.2367 0.0000 0.0000 51985.0577 -110001.8636 298.7588 -161986.9213 -109635.7994 298.3923 -51.5996 -18.1195 760572.5235 7.3814 7.4730 PRESSURE: 409400 -208.946 -44.0659 40.5581 -44.0657 -501.038 188.786 40.5582 188.785 -418.068 GPRESSURE: 409400 -189.345 -50.7431 27.7946 -77.5748 -468.918 248.758 -61.4614 36.7686 -372.788 PRESSAVG: 409400 -33.5457 -1.25644 -38.2415 -1.25641 13.0434 24.9357 -38.2414 24.9357 5.87902 GPRESSAVG: 409400 -32.4916 0.194829 -38.3046 -2.08792 12.3156 25.1391 -38.3794 23.6843 5.22588 TIMING: 409400 CPU: 1289.11, 0.00316336/step Wall: 1289.11, 0.00316336/step, 4.03381 hours remaining, 232.574219 MB of memory in use. ENERGY: 409400 4009.9431 20292.0048 14467.1529 247.3014 -203037.9703 2149.6309 0.0000 0.0000 52133.9268 -109738.0104 299.6144 -161871.9372 -109373.5545 298.6640 -376.0173 -343.6837 762699.0857 -4.8744 -4.9834 PRESSURE: 409600 -22.9076 -163.58 132.917 -163.58 -76.6462 179.464 132.917 179.464 -252.868 GPRESSURE: 409600 97.6592 -125.297 160.603 -14.5103 -161.786 139.695 140.934 -33.4753 -179.263 PRESSAVG: 409600 20.2038 1.32397 9.09693 1.32399 -61.1147 -33.3746 9.09695 -33.3745 17.862 GPRESSAVG: 409600 20.6907 0.296344 8.16422 1.07066 -61.6468 -35.0008 7.47961 -32.5018 18.1723 TIMING: 409600 CPU: 1289.74, 0.00314445/step Wall: 1289.74, 0.00314445/step, 4.00953 hours remaining, 232.574219 MB of memory in use. ENERGY: 409600 4013.1058 20339.8410 14419.9832 224.9473 -203158.7451 2347.2952 0.0000 0.0000 52003.9577 -109809.6148 298.8675 -161813.5725 -109436.6253 298.9668 -117.4741 -81.1297 759632.9546 -7.6830 -7.5946 PRESSURE: 409800 241.998 -137.704 30.9417 -137.704 645.015 126.388 30.9419 126.387 337.882 GPRESSURE: 409800 318.55 -4.14457 56.0978 -33.0844 662.55 146.188 64.7363 1.20416 328.184 PRESSAVG: 409800 19.2953 22.3845 30.6892 22.3845 -69.659 -0.363253 30.6892 -0.363217 -12.933 GPRESSAVG: 409800 19.1898 24.6163 32.0489 21.3944 -68.4929 -0.690083 32.0094 -4.10398 -13.2695 TIMING: 409800 CPU: 1290.37, 0.00318365/step Wall: 1290.37, 0.00318365/step, 4.05933 hours remaining, 232.574219 MB of memory in use. ENERGY: 409800 4034.7298 20452.7367 14480.9341 275.0748 -203856.5234 2836.5799 0.0000 0.0000 52185.8292 -109590.6388 299.9127 -161776.4680 -109238.9722 298.7069 408.2981 436.4278 759039.5175 -21.0989 -20.8575 PRESSURE: 410000 -120.281 -43.3918 -303.95 -43.3917 -27.136 -232.135 -303.95 -232.134 -200.617 GPRESSURE: 410000 -125.089 -71.9103 -304.917 -195.854 33.0248 -123.446 -126.413 -152.523 -166.92 PRESSAVG: 410000 8.61177 -10.3921 22.2875 -10.3921 25.3995 -29.1422 22.2876 -29.1421 12.0669 GPRESSAVG: 410000 8.18376 -12.0123 22.1616 -11.754 24.8947 -28.8454 21.4726 -27.5892 12.8688 TIMING: 410000 CPU: 1291.01, 0.00317701/step Wall: 1291.01, 0.00317701/step, 4.05069 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 410000 4094.8409 20428.4323 14477.0168 252.8152 -203466.4035 2699.7194 0.0000 0.0000 52048.7304 -109464.8485 299.1248 -161513.5790 -109091.8629 299.3395 -116.0116 -86.3283 760317.0456 15.3594 15.3158 PRESSURE: 410200 -321.336 -193.031 -234.361 -193.03 12.4834 176.184 -234.36 176.184 1.93791 GPRESSURE: 410200 -263.761 -85.0534 -238.075 -91.4639 54.8683 144.933 -267.644 264.565 -20.3771 PRESSAVG: 410200 -5.6728 -6.23297 -19.8284 -6.23301 -7.96173 -40.7186 -19.8284 -40.7186 -5.03679 GPRESSAVG: 410200 -4.67707 -5.71589 -18.5548 -3.69202 -8.19249 -39.8543 -20.9065 -41.3432 -5.35055 TIMING: 410200 CPU: 1291.65, 0.00320253/step Wall: 1291.65, 0.00320253/step, 4.08304 hours remaining, 232.574219 MB of memory in use. ENERGY: 410200 3987.4299 20578.3481 14463.3279 250.2556 -203590.9213 2724.1900 0.0000 0.0000 52045.7367 -109541.6331 299.1076 -161587.3698 -109179.6266 298.9589 -102.3049 -76.4232 761922.3437 -6.2238 -6.0734 PRESSURE: 410400 140.476 163.23 -31.4551 163.231 448.371 59.3666 -31.4553 59.3689 320.971 GPRESSURE: 410400 186.921 162.562 -57.8755 154.552 499.645 88.5617 13.5108 5.23643 307.258 PRESSAVG: 410400 -35.0582 -45.7547 33.5505 -45.7546 59.2408 45.0365 33.5504 45.0365 -1.90662 GPRESSAVG: 410400 -35.7212 -46.7418 33.484 -45.1243 58.0341 44.1506 33.8659 45.6409 -0.30118 TIMING: 410400 CPU: 1292.28, 0.00317941/step Wall: 1292.28, 0.00317941/step, 4.05339 hours remaining, 232.574219 MB of memory in use. ENERGY: 410400 3977.2351 20416.1880 14495.2905 246.5885 -203611.5632 2740.8395 0.0000 0.0000 52182.7592 -109552.6624 299.8950 -161735.4216 -109199.8518 298.8756 303.2729 331.2747 759128.1028 7.4253 7.3372 PRESSURE: 410600 20.1897 -100.206 10.6273 -100.204 179.516 -243.745 10.6272 -243.746 265.606 GPRESSURE: 410600 157.521 -207.536 -43.0645 -17.2194 220.24 -286.814 85.2589 -148.945 167.773 PRESSAVG: 410600 -42.3125 -32.7869 8.05434 -32.7869 74.7929 -46.6757 8.05432 -46.6757 27.2891 GPRESSAVG: 410600 -41.5261 -32.5314 6.91413 -33.5206 75.1944 -43.9023 8.31582 -45.8735 26.0943 TIMING: 410600 CPU: 1292.92, 0.00316322/step Wall: 1292.92, 0.00316323/step, 4.03258 hours remaining, 232.574219 MB of memory in use. ENERGY: 410600 3934.8556 20582.5492 14453.9549 256.6808 -203486.4205 2746.1438 0.0000 0.0000 52109.7414 -109402.4948 299.4754 -161512.2362 -109036.9265 299.2687 155.1036 181.8448 760824.8212 19.9232 19.9209 PRESSURE: 410800 189.279 71.5089 89.3261 71.5091 -13.6976 220.084 89.3259 220.084 -108.037 GPRESSURE: 410800 216.004 2.03134 92.2398 21.6267 40.2841 242.759 92.3912 211.26 -110.832 PRESSAVG: 410800 -13.6371 -54.9067 15.1871 -54.9067 49.3614 3.3084 15.1871 3.30834 -4.97734 GPRESSAVG: 410800 -15.1444 -52.6269 15.5453 -57.2765 52.5081 1.54581 14.2696 2.41024 -6.27861 TIMING: 410800 CPU: 1293.54, 0.00313619/step Wall: 1293.54, 0.00313619/step, 3.99794 hours remaining, 232.574219 MB of memory in use. ENERGY: 410800 3935.3318 20609.3634 14388.3994 258.1575 -203076.6596 2531.3151 0.0000 0.0000 51974.0864 -109380.0060 298.6958 -161354.0925 -109029.0538 299.3804 22.5147 48.4854 761321.4764 10.2490 10.3617 PRESSURE: 411000 -98.8823 -160.134 -86.8847 -160.134 -265.19 -131.062 -86.8855 -131.062 -64.5872 GPRESSURE: 411000 -103.605 -101.953 -158.907 -77.4045 -181.092 -104.143 132.518 0.665806 -56.0017 PRESSAVG: 411000 -38.5073 -54.8787 50.0057 -54.8786 25.6679 28.1799 50.0057 28.1799 -12.6467 GPRESSAVG: 411000 -37.4182 -55.2657 49.2938 -52.0372 22.996 27.4975 50.2378 29.6659 -11.0572 TIMING: 411000 CPU: 1294.17, 0.00313592/step Wall: 1294.17, 0.00313592/step, 3.99742 hours remaining, 232.574219 MB of memory in use. ENERGY: 411000 4047.4741 20313.4191 14456.1579 264.5995 -203509.0019 2804.5745 0.0000 0.0000 52420.7303 -109202.0467 301.2627 -161622.7769 -108838.8949 299.4781 -142.8866 -113.5660 761585.7448 -8.4954 -8.4931 PRESSURE: 411200 159.561 -33.4981 49.9135 -33.4978 136.865 80.3603 49.9132 80.3605 -89.149 GPRESSURE: 411200 104.654 -16.4624 63.9339 -226.874 211.407 -36.6111 54.0932 8.79075 -37.8448 PRESSAVG: 411200 -9.39426 -23.8564 36.3239 -23.8564 44.5676 65.6967 36.3238 65.6968 -2.80112 GPRESSAVG: 411200 -9.90078 -22.6451 36.6354 -23.9487 45.6858 66.0846 38.6833 64.9614 -3.30587 TIMING: 411200 CPU: 1294.8, 0.00314922/step Wall: 1294.8, 0.00314922/step, 4.0142 hours remaining, 232.574219 MB of memory in use. ENERGY: 411200 4044.5212 20497.8322 14404.0281 235.2879 -203389.7079 2607.8694 0.0000 0.0000 52060.2984 -109539.8706 299.1913 -161600.1691 -109190.9134 299.6274 69.0924 92.7388 759724.9391 10.7907 10.8264 PRESSURE: 411400 175.194 -22.5079 151.197 -22.5077 -298.465 25.217 151.196 25.2169 -231.433 GPRESSURE: 411400 129.923 -88.7532 102.992 -13.9114 -195.689 18.9168 110.883 -45.952 -196.581 PRESSAVG: 411400 -6.10155 -14.4549 -31.826 -14.4549 7.48146 1.40472 -31.8261 1.40472 8.69787 GPRESSAVG: 411400 -7.02594 -16.2078 -31.9817 -15.4688 8.24695 2.03539 -32.9642 -0.838188 8.83467 TIMING: 411400 CPU: 1295.43, 0.00314779/step Wall: 1295.43, 0.00314779/step, 4.0122 hours remaining, 232.574219 MB of memory in use. ENERGY: 411400 3987.2395 20427.2228 14563.5915 252.3697 -203358.9413 2414.9032 0.0000 0.0000 52240.9254 -109472.6892 300.2293 -161713.6146 -109112.6989 299.1005 -118.2348 -87.4491 760834.5459 3.3593 3.3519 PRESSURE: 411600 119.154 151.629 27.7868 151.629 344.66 -80.7906 27.7872 -80.792 -65.2923 GPRESSURE: 411600 176.319 163.442 -58.6652 186.211 320.8 -22.9794 47.2411 -214.911 -18.5293 PRESSAVG: 411600 -12.1001 -41.5339 -17.1074 -41.5339 52.6171 1.37302 -17.1073 1.37303 13.034 GPRESSAVG: 411600 -10.7703 -40.2388 -16.185 -39.8729 52.2084 0.687398 -17.8773 3.38526 12.2994 TIMING: 411600 CPU: 1296.06, 0.00312803/step Wall: 1296.06, 0.00312803/step, 3.98685 hours remaining, 232.574219 MB of memory in use. ENERGY: 411600 3972.1607 20534.5533 14501.5355 247.3865 -203332.6516 2726.3948 0.0000 0.0000 52151.2135 -109199.4072 299.7137 -161350.6207 -108850.2441 299.7738 132.8403 159.5298 759722.9305 17.8503 17.9125 PRESSURE: 411800 -103.044 37.8529 97.4028 37.8525 153.525 69.9802 97.4026 69.9806 299.346 GPRESSURE: 411800 -99.4882 -20.5302 85.1754 61.69 280.508 -20.2915 -7.27089 160.233 260.833 PRESSAVG: 411800 -25.6003 -46.5747 -3.2214 -46.5746 32.8627 43.6606 -3.22139 43.6606 -10.8294 GPRESSAVG: 411800 -24.9513 -48.8343 -5.13241 -47.4029 31.1283 44.2771 -2.64015 45.919 -10.121 TIMING: 411800 CPU: 1296.69, 0.00318418/step Wall: 1296.69, 0.00318418/step, 4.05824 hours remaining, 232.574219 MB of memory in use. ENERGY: 411800 4009.0472 20514.6151 14389.5023 225.8859 -203173.4306 2699.2106 0.0000 0.0000 52043.5775 -109291.5921 299.0952 -161335.1696 -108928.4311 299.7805 116.6089 147.2844 760166.0409 -1.1890 -1.3147 PRESSURE: 412000 162.097 -67.9999 37.0706 -67.999 -125.048 -393.459 37.0714 -393.459 -176.073 GPRESSURE: 412000 157.175 -109.709 55.558 50.8361 -159.919 -428.07 -32.8425 -390.295 -56.6592 PRESSAVG: 412000 9.12478 11.7464 53.9145 11.7464 -15.4899 26.5105 53.9145 26.5105 1.77016 GPRESSAVG: 412000 7.67301 13.8702 55.8353 12.0913 -13.8032 25.9184 54.5601 24.009 1.1786 TIMING: 412000 CPU: 1297.33, 0.00316432/step Wall: 1297.33, 0.00316432/step, 4.03274 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 412000 3931.3121 20577.4666 14434.0302 249.0613 -203066.9186 2331.4567 0.0000 0.0000 52013.0462 -109530.5456 298.9197 -161543.5918 -109163.9182 299.0226 -46.3412 -19.8011 760600.2413 -1.5316 -1.6505 PRESSURE: 412200 -20.968 -308.783 28.4176 -308.783 -194.955 144.301 28.4174 144.3 -230.206 GPRESSURE: 412200 48.6369 -267.246 -20.4947 -223.821 -133.271 88.4301 73.3246 55.1253 -268.064 PRESSAVG: 412200 39.0817 -8.72668 -14.0027 -8.72659 -34.1614 31.4349 -14.0028 31.4349 -10.7941 GPRESSAVG: 412200 40.8737 -11.2166 -16.5401 -7.87816 -36.1373 30.9762 -13.293 31.9097 -11.1101 TIMING: 412200 CPU: 1297.96, 0.0031648/step Wall: 1297.96, 0.0031648/step, 4.03319 hours remaining, 232.574219 MB of memory in use. ENERGY: 412200 3985.0171 20431.1309 14379.6769 266.5902 -202967.1286 2252.3313 0.0000 0.0000 52168.9667 -109483.4155 299.8158 -161652.3821 -109123.3418 299.3993 -148.7094 -117.5659 760784.1422 -1.9579 -2.1246 LDB: ============= START OF LOAD BALANCING ============== 1310.36 LDB: ============== END OF LOAD BALANCING =============== 1310.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1310.36 LDB: ============= START OF LOAD BALANCING ============== 1310.67 LDB: Largest compute 7066 load 0.031854 is 16.3% of average load 0.195722 LDB: Average compute 0.004388 is 2.2% of average load 0.195722 LDB: TIME 1310.68 LOAD: AVG 0.195722 MAX 0.216598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.094 MB LDB: TIME 1310.68 LOAD: AVG 0.195722 MAX 0.216598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: TIME 1310.68 LOAD: AVG 0.195722 MAX 0.216598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: ============== END OF LOAD BALANCING =============== 1310.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1310.68 PRESSURE: 412400 -29.4437 35.0024 38.4896 35.0024 167.588 115.931 38.4897 115.931 57.3942 GPRESSURE: 412400 -50.8343 -49.9164 -11.5415 77.6557 251.357 32.8741 37.7473 72.18 67.6592 PRESSAVG: 412400 -30.3244 -35.1218 -2.06323 -35.1218 -4.80176 45.9308 -2.06321 45.9307 -4.3161 GPRESSAVG: 412400 -31.2606 -33.8363 -0.0440148 -38.5697 -2.59702 46.0823 -4.12015 45.8945 -5.28873 TIMING: 412400 CPU: 1298.6, 0.00320462/step Wall: 1298.6, 0.00320462/step, 4.08375 hours remaining, 232.835938 MB of memory in use. ENERGY: 412400 3978.9820 20600.0643 14438.9388 261.2617 -203001.8506 2303.1792 0.0000 0.0000 52072.7579 -109346.6667 299.2629 -161419.4247 -108994.1949 299.1733 65.1797 89.3939 760521.4635 -13.1474 -13.0488 PRESSURE: 412600 -312.108 -165.256 -193.655 -165.256 -114.145 176.176 -193.656 176.175 357.532 GPRESSURE: 412600 -190.459 -18.207 -229.142 -163.574 -63.0723 107.298 -171.113 156.895 269.029 PRESSAVG: 412600 -39.2983 11.178 -15.4772 11.1779 21.9462 57.2357 -15.4772 57.2357 7.432 GPRESSAVG: 412600 -38.2473 11.4518 -16.4874 13.3525 21.1446 56.7144 -13.0828 58.8569 7.73243 TIMING: 412600 CPU: 1299.23, 0.00315476/step Wall: 1299.23, 0.00315476/step, 4.02004 hours remaining, 232.835938 MB of memory in use. ENERGY: 412600 3980.6111 20535.8079 14439.5742 236.6883 -203189.4187 2523.1342 0.0000 0.0000 51747.3175 -109726.2854 297.3925 -161473.6030 -109369.5812 299.5213 -22.9071 5.1660 760057.0157 -3.3067 -3.1234 PRESSURE: 412800 -189.964 54.9376 216.613 54.9372 -217.781 -57.0553 216.613 -57.0562 -126.182 GPRESSURE: 412800 -159.123 -69.8075 323.71 80.0504 -213.593 31.8683 104.226 -106.898 -91.8362 PRESSAVG: 412800 -9.25702 -22.0821 56.3688 -22.0821 12.0698 -59.6855 56.3688 -59.6855 -14.3841 GPRESSAVG: 412800 -11.0165 -24.7918 56.4128 -21.274 12.9011 -57.1728 54.0023 -61.289 -13.3945 TIMING: 412800 CPU: 1299.86, 0.00314396/step Wall: 1299.86, 0.00314396/step, 4.00611 hours remaining, 232.835938 MB of memory in use. ENERGY: 412800 3974.1888 20569.4825 14492.4441 262.0546 -203357.3431 2413.8610 0.0000 0.0000 52116.7999 -109528.5121 299.5160 -161645.3120 -109173.4013 299.0170 -177.9756 -154.8508 759350.2808 -3.8571 -3.8366 PRESSURE: 413000 -55.4884 -311.54 53.6698 -311.54 -16.8567 -21.5652 53.6696 -21.5638 252.046 GPRESSURE: 413000 -60.9065 -387.861 78.0306 -330.114 114.146 19.4807 -12.084 -19.8498 209.534 PRESSAVG: 413000 5.62235 -41.9438 -17.2804 -41.9439 -13.9612 -39.5478 -17.2804 -39.5478 -9.77837 GPRESSAVG: 413000 6.59306 -39.6775 -17.4745 -43.9607 -13.8901 -41.2897 -17.2101 -40.2737 -10.3066 TIMING: 413000 CPU: 1300.49, 0.00314102/step Wall: 1300.49, 0.00314102/step, 4.00218 hours remaining, 232.871094 MB of memory in use. ENERGY: 413000 3914.8660 20683.9936 14428.1735 254.3050 -203319.1312 2522.5290 0.0000 0.0000 52103.9294 -109411.3347 299.4420 -161515.2642 -109057.6110 299.8233 59.9004 87.5912 760749.0012 -6.0391 -5.8679 PRESSURE: 413200 -47.2231 -121.187 58.8734 -121.186 201.955 -280.317 58.8739 -280.317 63.4987 GPRESSURE: 413200 -79.9273 -138.523 71.0903 -134.183 293.215 -293.992 109.471 -263.244 96.6712 PRESSAVG: 413200 18.6341 -34.5065 23.5173 -34.5065 -16.7406 -50.211 23.5173 -50.211 -9.29795 GPRESSAVG: 413200 18.9801 -36.0436 21.7383 -34.9433 -16.9362 -47.9342 24.3765 -48.6151 -9.37249 TIMING: 413200 CPU: 1301.12, 0.0031436/step Wall: 1301.12, 0.0031436/step, 4.0053 hours remaining, 233.054688 MB of memory in use. ENERGY: 413200 3979.2093 20464.5953 14410.2098 233.7215 -203106.5240 2403.7410 0.0000 0.0000 52178.1551 -109436.8919 299.8686 -161615.0470 -109066.8097 299.2161 72.7435 103.3196 761288.7533 -2.4681 -2.4429 PRESSURE: 413400 -21.562 61.1417 137.29 61.1417 72.9453 38.5136 137.289 38.5147 292.096 GPRESSURE: 413400 44.3796 113.476 119.358 121.203 58.6807 -25.7005 123.495 60.137 314.701 PRESSAVG: 413400 -72.3228 -21.7818 42.2519 -21.7818 21.6482 31.8467 42.2518 31.8468 11.0381 GPRESSAVG: 413400 -73.2027 -21.6138 43.6971 -19.2652 21.4683 30.3049 41.0137 31.14 12.117 TIMING: 413400 CPU: 1301.75, 0.0031472/step Wall: 1301.75, 0.0031472/step, 4.00971 hours remaining, 233.054688 MB of memory in use. ENERGY: 413400 3898.3541 20504.7485 14429.6113 257.8556 -203207.7508 2518.9743 0.0000 0.0000 52291.5177 -109306.6892 300.5201 -161598.2070 -108944.8753 299.5018 114.4932 139.2537 761614.9022 -13.2122 -13.2058 PRESSURE: 413600 -113.228 194.595 86.3381 194.595 254.211 -76.5509 86.3389 -76.5505 97.3305 GPRESSURE: 413600 -6.6154 163.721 100.394 246.662 259.284 -51.8996 35.6139 31.0704 83.1883 PRESSAVG: 413600 16.2016 -65.5846 23.7796 -65.5846 -20.6177 26.3541 23.7796 26.3541 15.0146 GPRESSAVG: 413600 17.3618 -65.0922 23.6029 -65.7558 -20.7317 26.0649 23.9886 25.4214 13.7794 TIMING: 413600 CPU: 1302.38, 0.00316049/step Wall: 1302.38, 0.00316049/step, 4.02647 hours remaining, 233.054688 MB of memory in use. ENERGY: 413600 3965.8723 20395.2046 14405.6364 228.3526 -203195.3649 2605.8982 0.0000 0.0000 52325.7085 -109268.6924 300.7166 -161594.4009 -108905.4516 299.5064 79.4379 111.9522 760463.6092 3.5328 3.4699 PRESSURE: 413800 -147.447 194.249 -96.5644 194.249 -47.2279 -14.1326 -96.5641 -14.1335 -15.6398 GPRESSURE: 413800 -156.292 174.048 -102.136 129.922 -24.4117 -73.0055 -127.996 113.141 69.1472 PRESSAVG: 413800 -7.01885 -22.2643 -9.62167 -22.2643 5.69137 -5.46558 -9.62161 -5.46558 -4.25448 GPRESSAVG: 413800 -7.22668 -21.6354 -9.82353 -24.0132 6.10617 -5.36157 -9.75697 -4.977 -4.82624 TIMING: 413800 CPU: 1303.01, 0.00315913/step Wall: 1303.01, 0.00315912/step, 4.02455 hours remaining, 233.054688 MB of memory in use. ENERGY: 413800 4036.7495 20480.0434 14390.6990 246.3642 -202802.2283 2485.3941 0.0000 0.0000 51963.6918 -109199.2864 298.6361 -161162.9782 -108843.2883 299.9181 -70.1048 -37.1854 761619.6187 -1.8607 -1.9823 PRESSURE: 414000 -132.264 25.5823 -48.3994 25.5819 -53.2531 101.272 -48.3993 101.272 -263.818 GPRESSURE: 414000 -119.753 17.2699 -146.463 66.9075 25.9461 74.4195 -63.2687 184.113 -264.396 PRESSAVG: 414000 33.1554 -13.2002 -3.88086 -13.2002 -37.2094 -9.19483 -3.88087 -9.19483 -11.0689 GPRESSAVG: 414000 31.0086 -13.8602 -2.13922 -11.9687 -37.2266 -9.86533 -3.42568 -9.35687 -9.36573 TIMING: 414000 CPU: 1303.63, 0.00312321/step Wall: 1303.63, 0.00312321/step, 3.97862 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 414000 4045.2360 20509.9299 14428.1308 257.1922 -203389.0908 2714.8109 0.0000 0.0000 52222.5548 -109211.2361 300.1237 -161433.7910 -108851.2676 300.0760 -149.7781 -119.4011 760487.8436 -5.0410 -5.1946 PRESSURE: 414200 102.58 -69.5689 -194.846 -69.569 -46.4598 35.2892 -194.844 35.2897 295.208 GPRESSURE: 414200 216.964 -190.964 -207.982 42.007 -1.60378 76.3474 -61.412 194.481 231.899 PRESSAVG: 414200 -21.8287 25.2786 -28.9957 25.2786 45.167 45.5857 -28.9957 45.5857 6.25085 GPRESSAVG: 414200 -20.6103 26.2526 -30.9502 25.6459 44.5981 45.1975 -27.8814 44.8248 5.67432 TIMING: 414200 CPU: 1304.27, 0.00315661/step Wall: 1304.27, 0.00315661/step, 4.02099 hours remaining, 233.054688 MB of memory in use. ENERGY: 414200 3984.6013 20317.8993 14426.0303 254.7163 -203452.2997 2648.7782 0.0000 0.0000 52373.5728 -109446.7015 300.9916 -161820.2743 -109079.9882 299.9879 117.1095 149.0864 759904.9847 9.8631 9.8874 PRESSURE: 414400 -179.602 -78.1179 381.171 -78.1187 -191.319 -24.4003 381.171 -24.3999 -113.457 GPRESSURE: 414400 -57.9113 -106.094 280.86 -93.0625 -181.586 -161.988 303.178 35.9437 -161.841 PRESSAVG: 414400 -20.8996 15.399 -9.12246 15.399 -7.19769 46.5474 -9.12241 46.5474 4.21602 GPRESSAVG: 414400 -20.9964 14.5015 -8.71199 14.3983 -6.85226 47.5495 -8.71088 46.695 3.99667 TIMING: 414400 CPU: 1304.9, 0.00315026/step Wall: 1304.9, 0.00315026/step, 4.01273 hours remaining, 233.054688 MB of memory in use. ENERGY: 414400 3952.7848 20392.7338 14381.8825 248.0962 -203303.5716 2693.4046 0.0000 0.0000 52149.6095 -109485.0602 299.7045 -161634.6697 -109123.8952 299.3635 -161.4593 -133.7794 761974.7618 -7.9604 -7.9507 PRESSURE: 414600 -109.029 8.48493 150.988 8.48448 12.9264 -184.055 150.987 -184.054 -114.46 GPRESSURE: 414600 -60.0096 -68.9602 180.747 18.3197 4.60774 -171.135 87.4369 -216.232 -83.9916 PRESSAVG: 414600 23.8771 24.602 -3.93914 24.6021 21.0725 -40.7454 -3.93912 -40.7454 -12.131 GPRESSAVG: 414600 25.0914 24.9053 -2.6828 23.1925 19.3041 -39.8134 -5.46217 -40.1885 -11.9475 TIMING: 414600 CPU: 1305.53, 0.00315872/step Wall: 1305.53, 0.00315872/step, 4.02333 hours remaining, 233.054688 MB of memory in use. ENERGY: 414600 3945.1645 20464.1388 14424.0084 274.3868 -203323.8827 2542.4848 0.0000 0.0000 51989.7630 -109683.9363 298.7859 -161673.6993 -109331.0750 299.0276 -70.1875 -46.4645 759724.4545 10.9395 10.8160 PRESSURE: 414800 -66.7249 97.6604 59.9992 97.6601 188.042 -170.762 59.9998 -170.763 102.215 GPRESSURE: 414800 -31.2172 196.129 90.1883 37.1758 249.17 -165.502 62.6025 -235.983 92.714 PRESSAVG: 414800 34.8505 15.3002 60.8153 15.3002 -14.2464 9.96557 60.8154 9.9655 10.5505 GPRESSAVG: 414800 34.5615 15.4899 60.6209 13.1914 -13.2339 9.96857 61.4431 8.81515 9.53648 TIMING: 414800 CPU: 1306.16, 0.00315517/step Wall: 1306.16, 0.00315517/step, 4.01864 hours remaining, 233.054688 MB of memory in use. ENERGY: 414800 3996.8441 20495.7856 14404.1152 242.6861 -203280.8862 2549.1450 0.0000 0.0000 51847.1234 -109745.1868 297.9661 -161592.3102 -109388.2790 298.9353 74.5107 103.5555 761439.9410 10.3849 10.2880 PRESSURE: 415000 -40.9319 107.241 -8.87561 107.241 -124.094 -188.314 -8.87512 -188.315 -270.299 GPRESSURE: 415000 5.49397 156.07 -22.8501 194.959 -99.4448 -258.418 9.48811 -98.8037 -260.798 PRESSAVG: 415000 32.9273 28.2069 -26.3895 28.2068 -0.263498 -23.7949 -26.3895 -23.7949 18.8612 GPRESSAVG: 415000 31.2536 28.8849 -27.4191 31.1005 0.901031 -25.6972 -24.9803 -23.5539 19.4917 TIMING: 415000 CPU: 1306.79, 0.00314425/step Wall: 1306.79, 0.00314425/step, 4.00455 hours remaining, 233.054688 MB of memory in use. ENERGY: 415000 4004.6527 20405.7774 14382.0617 244.1744 -203450.8305 2649.1858 0.0000 0.0000 51981.8504 -109783.1281 298.7404 -161764.9785 -109413.8313 299.0172 -145.1082 -118.2495 760706.7684 17.1750 17.2154 PRESSURE: 415200 -181.283 120.597 -12.3858 120.596 -262.054 50.6815 -12.3862 50.681 -397.385 GPRESSURE: 415200 -225.447 168.558 80.893 30.0303 -236.44 55.3124 17.7953 140.952 -298.396 PRESSAVG: 415200 9.31408 20.2429 -16.7722 20.2429 -28.6315 -19.6416 -16.7722 -19.6414 -14.6167 GPRESSAVG: 415200 9.77837 20.9008 -17.3878 20.1395 -30.184 -19.32 -17.4723 -18.8521 -13.9463 TIMING: 415200 CPU: 1307.42, 0.00315824/step Wall: 1307.42, 0.00315824/step, 4.0222 hours remaining, 233.054688 MB of memory in use. ENERGY: 415200 4038.8465 20434.1001 14445.8914 274.2072 -203124.0511 2291.4512 0.0000 0.0000 51940.2343 -109699.3205 298.5012 -161639.5548 -109344.3340 299.0284 -280.2408 -253.4277 761268.6409 -11.3114 -11.4506 PRESSURE: 415400 96.4751 -126.027 -43.03 -126.027 -59.5694 68.128 -43.0298 68.1294 136.694 GPRESSURE: 415400 79.4267 -101.481 -130.63 -95.1875 -10.193 123.205 26.6462 -75.475 183.237 PRESSAVG: 415400 -12.3358 28.8748 14.5182 28.8749 -15.2197 50.2876 14.5182 50.2875 -2.64249 GPRESSAVG: 415400 -12.0445 27.3012 15.6105 30.4017 -15.307 51.471 14.0659 50.3286 -2.76926 TIMING: 415400 CPU: 1308.05, 0.00313766/step Wall: 1308.05, 0.00313766/step, 3.9958 hours remaining, 233.054688 MB of memory in use. ENERGY: 415400 3968.4046 20552.3206 14438.5804 254.3252 -203114.9208 2471.5877 0.0000 0.0000 51990.9823 -109438.7201 298.7929 -161429.7024 -109082.1329 299.0258 57.8667 84.1569 761403.7428 -10.0660 -10.0403 PRESSURE: 415600 210.862 116.704 -53.9342 116.704 -199.452 -90.1337 -53.9349 -90.1337 -89.3453 GPRESSURE: 415600 119.305 69.0676 -85.8214 187.442 -117.124 -94.5482 -59.7508 -86.6941 3.48747 PRESSAVG: 415600 -12.8289 -0.456685 27.2615 -0.456734 1.57671 33.6013 27.2615 33.6014 3.82167 GPRESSAVG: 415600 -13.1914 -1.67748 27.8732 -0.478025 2.16169 34.5356 28.338 31.9892 3.63013 TIMING: 415600 CPU: 1308.68, 0.00314263/step Wall: 1308.68, 0.00314263/step, 4.00197 hours remaining, 233.054688 MB of memory in use. ENERGY: 415600 3982.9840 20812.2187 14419.1468 238.0911 -202909.4761 2035.2461 0.0000 0.0000 51968.2848 -109453.5045 298.6624 -161421.7893 -109092.2023 299.2095 -25.9784 1.8892 760846.9778 -2.4768 -2.4665 PRESSURE: 415800 106.74 89.2326 228.258 89.2324 78.8047 -95.036 228.259 -95.0367 -150.927 GPRESSURE: 415800 112.116 88.0288 185.516 141.477 86.2418 -169.798 270.282 -88.4991 -70.4114 PRESSAVG: 415800 9.93452 -36.8345 -7.19422 -36.8344 -3.83505 35.7868 -7.19422 35.7868 25.6324 GPRESSAVG: 415800 9.91732 -34.9925 -8.71975 -37.1018 -3.49938 35.4171 -4.80191 36.4036 25.3359 TIMING: 415800 CPU: 1309.31, 0.0031676/step Wall: 1309.31, 0.0031676/step, 4.03359 hours remaining, 233.054688 MB of memory in use. ENERGY: 415800 3944.3096 20671.0075 14382.5864 246.3451 -203204.7555 2415.9536 0.0000 0.0000 52021.0218 -109523.5316 298.9655 -161544.5534 -109156.6449 299.1862 11.5394 42.6487 760048.2601 10.5773 10.5846 PRESSURE: 416000 -415.925 -74.1198 356.853 -74.1198 253.663 63.3869 356.853 63.3863 306.859 GPRESSURE: 416000 -390.762 -47.9886 378.19 -91.7937 309.581 9.31704 301.074 201.559 315.243 PRESSAVG: 416000 -13.2071 -24.1123 58.2315 -24.1123 44.8749 -20.8866 58.2316 -20.8866 -2.59223 GPRESSAVG: 416000 -12.9946 -23.546 58.1712 -23.1279 45.4737 -21.6495 55.0771 -19.6873 -3.09759 TIMING: 416000 CPU: 1309.94, 0.00314779/step Wall: 1309.94, 0.00314779/step, 4.00819 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 416000 4030.1528 20613.5497 14353.8689 252.3854 -203204.7736 2230.3506 0.0000 0.0000 52151.3336 -109573.1325 299.7144 -161724.4661 -109214.6271 299.6038 48.1988 78.0205 760775.7796 9.6919 9.7938 PRESSURE: 416200 7.40052 -29.8936 326.115 -29.8945 30.6256 -97.0886 326.115 -97.089 47.2619 GPRESSURE: 416200 23.1138 -15.7055 275.009 -82.692 228.038 -10.1144 301.358 -157.721 -77.6075 PRESSAVG: 416200 -57.4246 -34.6671 25.1252 -34.6671 3.71375 -4.70978 25.1252 -4.70976 10.724 GPRESSAVG: 416200 -56.9323 -34.0824 25.6553 -37.321 2.70693 -3.49972 25.1839 -7.09982 11.6636 TIMING: 416200 CPU: 1310.57, 0.00314032/step Wall: 1310.57, 0.00314032/step, 3.9985 hours remaining, 233.054688 MB of memory in use. ENERGY: 416200 4045.1928 20417.1339 14461.8299 241.5042 -203654.4768 2640.0595 0.0000 0.0000 52276.1253 -109572.6312 300.4316 -161848.7565 -109209.0639 299.5645 28.4293 57.8480 759371.8447 -14.3289 -14.1873 LDB: ============= START OF LOAD BALANCING ============== 1322.97 LDB: ============== END OF LOAD BALANCING =============== 1322.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1322.97 LDB: ============= START OF LOAD BALANCING ============== 1323.28 LDB: Largest compute 7048 load 0.031080 is 15.9% of average load 0.195609 LDB: Average compute 0.004394 is 2.2% of average load 0.195609 LDB: TIME 1323.29 LOAD: AVG 0.195609 MAX 0.21418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.605 MB LDB: TIME 1323.29 LOAD: AVG 0.195609 MAX 0.21418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: TIME 1323.29 LOAD: AVG 0.195609 MAX 0.21418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: ============== END OF LOAD BALANCING =============== 1323.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1323.29 PRESSURE: 416400 -14.1762 -230.849 16.6426 -230.85 -105.564 -147.641 16.6422 -147.641 247.601 GPRESSURE: 416400 -29.1007 -193.281 7.7782 -299.417 39.6681 -139.274 2.22522 -183.623 203.401 PRESSAVG: 416400 56.1227 9.9998 58.9645 9.99978 -53.127 -36.5753 58.9645 -36.5753 -6.46446 GPRESSAVG: 416400 56.3025 8.86153 59.0608 11.3983 -53.5592 -36.0643 60.3504 -34.3205 -6.67682 TIMING: 416400 CPU: 1311.21, 0.00322035/step Wall: 1311.21, 0.00322034/step, 4.10021 hours remaining, 232.101562 MB of memory in use. ENERGY: 416400 3997.6684 20363.0658 14393.7207 257.6786 -203331.3873 2562.8815 0.0000 0.0000 52125.1645 -109631.2078 299.5640 -161756.3723 -109261.0885 299.3169 42.6201 71.3227 760538.8272 -1.1563 -1.3112 PRESSURE: 416600 189.368 75.1843 -11.6847 75.1852 107.299 170.135 -11.6842 170.135 -39.336 GPRESSURE: 416600 286.715 75.9981 62.8483 184.279 95.3797 88.1517 35.2256 56.1733 -33.5381 PRESSAVG: 416600 14.7308 -39.1361 32.7591 -39.1362 1.33803 -11.4152 32.7592 -11.4152 -14.1924 GPRESSAVG: 416600 14.899 -39.6824 33.945 -39.5825 2.78714 -12.5996 31.85 -11.8262 -15.1839 TIMING: 416600 CPU: 1311.84, 0.00314114/step Wall: 1311.84, 0.00314114/step, 3.9992 hours remaining, 232.101562 MB of memory in use. ENERGY: 416600 3946.1901 20487.6495 14409.3245 245.5418 -203639.6403 2578.3439 0.0000 0.0000 52183.9875 -109788.6030 299.9021 -161972.5905 -109426.4978 299.6586 85.7770 116.1854 759552.7641 0.6255 0.8341 PRESSURE: 416800 105.539 -310.36 176.268 -310.36 -0.263366 -137.975 176.268 -137.975 306.441 GPRESSURE: 416800 193.883 -226.156 76.757 -275.084 -14.8452 -20.7143 194.852 -160.677 314.326 PRESSAVG: 416800 94.284 -67.2352 26.1564 -67.2352 -61.4077 -43.6257 26.1565 -43.6257 11.5995 GPRESSAVG: 416800 94.4514 -66.7958 25.1844 -67.1121 -62.0778 -42.8084 25.9556 -43.915 11.8588 TIMING: 416800 CPU: 1312.47, 0.00313975/step Wall: 1312.47, 0.00313975/step, 3.99725 hours remaining, 232.101562 MB of memory in use. ENERGY: 416800 3986.8364 20510.7419 14437.3128 240.4026 -203600.2358 2539.0558 0.0000 0.0000 52060.2323 -109825.6540 299.1909 -161885.8863 -109458.6728 299.3360 137.2391 164.4548 760007.1609 14.8253 14.7442 PRESSURE: 417000 -15.4906 -9.21673 -123.701 -9.2159 -166.075 0.559698 -123.701 0.559492 -279.744 GPRESSURE: 417000 -20.6326 -29.0988 -126.714 -16.6661 -98.5153 25.2259 -76.6867 -47.6335 -245.799 PRESSAVG: 417000 17.7377 8.18179 66.1508 8.18178 -8.8685 -24.0495 66.1509 -24.0496 -24.3302 GPRESSAVG: 417000 18.0789 8.01734 67.7561 8.02499 -9.71211 -25.5046 65.9503 -22.8716 -23.806 TIMING: 417000 CPU: 1313.1, 0.00315945/step Wall: 1313.1, 0.00315945/step, 4.02216 hours remaining, 232.101562 MB of memory in use. ENERGY: 417000 3983.2074 20670.6758 14405.3408 252.2389 -203429.1795 2344.6702 0.0000 0.0000 52033.1531 -109739.8934 299.0352 -161773.0465 -109381.6614 299.4343 -153.7701 -121.6490 759779.9691 -5.1537 -5.1464 PRESSURE: 417200 -19.1121 63.4834 -41.1972 63.4822 -431.591 109.796 -41.1969 109.796 -45.0237 GPRESSURE: 417200 31.9932 -31.5306 -18.3461 107.232 -375.556 100.661 -6.25708 38.7379 -61.6637 PRESSAVG: 417200 15.6302 -55.9858 69.8078 -55.9858 -18.6242 -13.8801 69.8078 -13.88 -8.3164 GPRESSAVG: 417200 15.0283 -56.2596 68.9352 -55.2937 -17.4257 -12.2387 69.681 -15.294 -8.46384 TIMING: 417200 CPU: 1313.73, 0.0031471/step Wall: 1313.73, 0.0031471/step, 4.00626 hours remaining, 232.101562 MB of memory in use. ENERGY: 417200 4007.2571 20501.8812 14514.6315 240.6476 -202959.1132 2204.4606 0.0000 0.0000 51785.9915 -109704.2436 297.6148 -161490.2351 -109343.8387 298.9353 -165.2422 -135.0756 758848.7326 -3.7701 -3.6204 PRESSURE: 417400 -27.4626 -147.878 -63.8717 -147.878 60.6787 -319.881 -63.8717 -319.881 -50.8125 GPRESSURE: 417400 21.0091 -133.168 -11.071 -124.255 57.1576 -200.481 -38.997 -396.736 -17.452 PRESSAVG: 417400 39.2948 -18.0155 2.36828 -18.0156 -47.0306 -27.1724 2.36832 -27.1724 16.4405 GPRESSAVG: 417400 41.5729 -17.8978 2.09757 -19.8525 -48.0619 -29.9827 3.05765 -26.7898 15.0296 TIMING: 417400 CPU: 1314.35, 0.00313178/step Wall: 1314.35, 0.00313178/step, 3.98658 hours remaining, 232.101562 MB of memory in use. ENERGY: 417400 3969.3525 20360.1266 14441.2397 240.6822 -203478.2908 2628.5865 0.0000 0.0000 52179.5563 -109658.7469 299.8766 -161838.3033 -109291.2652 299.1722 -5.8655 20.2382 759778.9587 2.9015 2.8468 PRESSURE: 417600 -133.218 -92.7214 45.7472 -92.7214 162.582 -32.7811 45.7469 -32.782 418.981 GPRESSURE: 417600 -125.402 -116.258 22.7144 -2.58927 221.519 -94.2589 123.903 -102.255 442.052 PRESSAVG: 417600 46.0505 -34.1236 15.9315 -34.1236 -26.1323 -8.17492 15.9315 -8.17494 -3.50344 GPRESSAVG: 417600 43.7806 -33.1147 15.0189 -34.4758 -25.435 -7.02124 17.9101 -10.1013 -1.78364 TIMING: 417600 CPU: 1314.98, 0.00313466/step Wall: 1314.98, 0.00313466/step, 3.99008 hours remaining, 232.101562 MB of memory in use. ENERGY: 417600 3969.1405 20443.1125 14397.9404 245.6485 -203353.8767 2544.4100 0.0000 0.0000 52001.8072 -109751.8176 298.8551 -161753.6247 -109387.3463 299.2156 149.4482 179.3897 760388.3856 5.4716 5.5207 PRESSURE: 417800 -264.43 -89.899 92.4109 -89.9004 -360.296 389.801 92.4102 389.801 -122.825 GPRESSURE: 417800 -317.087 -103.527 -17.1018 -242.37 -325.144 346.17 224.037 322.512 -41.2309 PRESSAVG: 417800 29.5531 -8.89872 0.0254421 -8.89876 -42.7186 -21.6719 0.025434 -21.6719 7.63062 GPRESSAVG: 417800 29.4491 -10.0134 0.0213469 -5.18658 -41.5639 -21.414 -2.3661 -22.0767 6.36833 TIMING: 417800 CPU: 1315.61, 0.00316397/step Wall: 1315.61, 0.00316397/step, 4.02721 hours remaining, 232.101562 MB of memory in use. ENERGY: 417800 4014.9010 20498.0118 14457.7821 231.6371 -203222.7912 2198.9806 0.0000 0.0000 52278.8398 -109542.6387 300.4472 -161821.4786 -109178.5737 299.2631 -249.1836 -227.8205 760799.5817 -1.8450 -1.9155 PRESSURE: 418000 -226.492 -277.161 -79.6573 -277.161 94.3026 -199.088 -79.6579 -199.088 357.754 GPRESSURE: 418000 -52.4676 -482.431 -52.4871 -162.31 49.4111 -205.963 33.1145 -126.379 318.646 PRESSAVG: 418000 43.4696 -32.873 -1.5766 -32.8729 -52.0068 -48.3065 -1.57655 -48.3064 -18.4848 GPRESSAVG: 418000 44.1249 -34.1241 -1.39241 -35.5451 -52.9832 -45.897 -0.0915583 -47.4517 -17.8614 TIMING: 418000 CPU: 1316.24, 0.00314233/step Wall: 1316.24, 0.00314233/step, 3.99949 hours remaining, 232.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 418000 3966.0347 20507.3865 14396.1969 237.6255 -203656.2623 2693.7944 0.0000 0.0000 52262.1058 -109593.1185 300.3510 -161855.2242 -109232.9494 299.5170 75.1881 105.1964 759981.9031 -9.0073 -8.9066 PRESSURE: 418200 -263.101 -100.239 237.997 -100.238 -214.111 -5.00559 237.997 -5.00607 -135.461 GPRESSURE: 418200 -258.561 -107.399 75.3515 -61.8225 -208.551 -58.454 211.393 -73.3801 -48.9423 PRESSAVG: 418200 9.0602 -38.8735 53.6141 -38.8735 -16.3326 -5.08821 53.614 -5.08826 0.293969 GPRESSAVG: 418200 7.64653 -37.6202 53.706 -38.7777 -15.2878 -6.07265 56.0883 -4.55674 0.893925 TIMING: 418200 CPU: 1316.87, 0.0031606/step Wall: 1316.87, 0.0031606/step, 4.02257 hours remaining, 232.101562 MB of memory in use. ENERGY: 418200 4064.2153 20616.2250 14437.9550 254.4684 -203012.4705 2347.7183 0.0000 0.0000 52009.5972 -109282.2914 298.8999 -161291.8885 -108929.6756 299.6734 -204.2245 -172.0180 761057.2801 -2.3262 -2.2491 PRESSURE: 418400 -213.846 125.278 -79.3299 125.279 -381.938 -216.205 -79.3303 -216.206 -308.412 GPRESSURE: 418400 -181.555 226.561 -96.0051 92.1879 -290.389 -253.592 60.962 -90.6591 -321.99 PRESSAVG: 418400 -53.4879 11.0851 98.4731 11.0851 70.1305 -2.79618 98.4731 -2.7961 22.9619 GPRESSAVG: 418400 -53.2421 12.7852 98.6885 11.3642 69.0951 -4.65745 95.3932 -2.72629 23.1509 TIMING: 418400 CPU: 1317.51, 0.00318253/step Wall: 1317.51, 0.00318253/step, 4.0503 hours remaining, 232.101562 MB of memory in use. ENERGY: 418400 3956.4150 20540.6922 14384.7480 254.3535 -202937.0232 2247.9617 0.0000 0.0000 52240.0323 -109312.8207 300.2242 -161552.8530 -108942.4551 300.1780 -301.3987 -264.6444 760974.1458 13.2015 13.0013 PRESSURE: 418600 -101.942 122.191 211.011 122.191 -355.622 96.0616 211.01 96.0613 -352.076 GPRESSURE: 418600 -39.2642 141.73 160.806 105.322 -396.194 -48.5585 119.931 75.067 -278.294 PRESSAVG: 418600 36.8407 26.4538 109.126 26.4538 -43.937 -72.6885 109.126 -72.6885 -1.70976 GPRESSAVG: 418600 38.8576 25.1549 109.947 27.3217 -43.9125 -72.1009 108.418 -71.0034 -4.13237 TIMING: 418600 CPU: 1318.14, 0.00316594/step Wall: 1318.14, 0.00316594/step, 4.02901 hours remaining, 232.101562 MB of memory in use. ENERGY: 418600 4056.9193 20428.4737 14443.7302 237.4636 -202952.1019 2152.7695 0.0000 0.0000 52122.4943 -109510.2515 299.5487 -161632.7457 -109154.9086 300.0961 -269.8802 -237.9174 761777.4932 -2.9353 -3.0624 PRESSURE: 418800 48.4307 -39.826 -103.599 -39.8256 395.333 191.561 -103.598 191.561 -148.137 GPRESSURE: 418800 31.9665 -85.4469 -79.3733 39.6574 404.276 204.522 -67.4839 98.7763 -70.4902 PRESSAVG: 418800 61.6667 -19.8159 9.04687 -19.8159 0.742308 -40.5197 9.04684 -40.5198 7.03714 GPRESSAVG: 418800 60.9271 -20.1278 8.30318 -20.9798 0.886198 -41.3138 9.66991 -41.2077 7.8459 TIMING: 418800 CPU: 1318.77, 0.00314598/step Wall: 1318.77, 0.00314598/step, 4.00344 hours remaining, 232.101562 MB of memory in use. ENERGY: 418800 4010.6055 20654.9037 14490.6471 221.7716 -203179.0380 2664.4526 0.0000 0.0000 51756.0141 -109380.6433 297.4425 -161136.6574 -109030.7625 299.2557 98.5423 121.9173 761309.6051 23.1487 23.2197 PRESSURE: 419000 447.568 14.21 77.1404 14.21 34.7221 -216.271 77.1405 -216.271 349.378 GPRESSURE: 419000 494.939 29.9391 72.8737 19.9262 45.1768 -249.505 121.301 -154.123 362.334 PRESSAVG: 419000 8.2361 -18.8005 13.7406 -18.8004 -6.20037 -4.34859 13.7406 -4.34856 -4.29248 GPRESSAVG: 419000 7.84816 -16.981 13.4637 -19.3868 -5.84663 -3.16788 14.4593 -5.16241 -3.97435 TIMING: 419000 CPU: 1319.4, 0.00315397/step Wall: 1319.4, 0.00315397/step, 4.01343 hours remaining, 232.101562 MB of memory in use. ENERGY: 419000 4023.7537 20422.8498 14486.8854 245.6695 -203532.9159 2753.6344 0.0000 0.0000 52195.1642 -109404.9589 299.9663 -161600.1231 -109046.9289 299.3038 277.2226 300.8168 760829.4112 -0.7522 -0.6576 PRESSURE: 419200 315.883 -43.8475 -70.9667 -43.847 51.056 -167.94 -70.967 -167.939 -55.7272 GPRESSURE: 419200 342.482 -115.379 -8.83985 -169.184 26.7715 -201.844 12.9892 -297.765 14.5956 PRESSAVG: 419200 1.76174 -49.3049 53.8701 -49.3049 -33.4996 -43.9045 53.8701 -43.9045 16.8793 GPRESSAVG: 419200 0.363775 -49.4634 54.0489 -48.5867 -33.3166 -43.139 53.2121 -44.854 18.6826 TIMING: 419200 CPU: 1320.04, 0.00317315/step Wall: 1320.04, 0.00317315/step, 4.03766 hours remaining, 232.101562 MB of memory in use. ENERGY: 419200 4021.9152 20689.0319 14456.6556 239.0599 -203405.7876 2425.8964 0.0000 0.0000 52125.4188 -109447.8099 299.5655 -161573.2286 -109076.2129 299.7855 103.7372 127.9497 760056.8875 -4.9528 -4.7568 PRESSURE: 419400 79.2761 274.928 236.508 274.927 -8.63702 -5.32183 236.507 -5.32294 137.572 GPRESSURE: 419400 142.895 90.9948 178.426 161.583 -22.1199 84.8843 109.262 116.455 150.776 PRESSAVG: 419400 87.5374 8.0233 39.7922 8.02324 -36.5024 -54.8657 39.7922 -54.8657 1.58428 GPRESSAVG: 419400 89.1502 8.43407 38.511 6.45383 -35.8174 -55.3994 40.3313 -53.2171 -0.510534 TIMING: 419400 CPU: 1320.68, 0.00318843/step Wall: 1320.68, 0.00318843/step, 4.05693 hours remaining, 232.101562 MB of memory in use. ENERGY: 419400 3973.1746 20675.9765 14386.0358 239.0638 -203491.1611 2499.3018 0.0000 0.0000 52068.4489 -109649.1596 299.2381 -161717.6085 -109282.3990 299.7856 69.4038 90.5171 761261.6408 17.5398 17.6074 PRESSURE: 419600 -26.8735 -41.3777 -53.9085 -41.3782 334.375 -268.723 -53.9084 -268.723 156.472 GPRESSURE: 419600 61.4667 -51.0729 -46.9664 -62.202 350.281 -227.349 -49.3793 -182.692 172.871 PRESSAVG: 419600 19.2052 -29.3793 53.4697 -29.3793 -53.8538 2.63927 53.4696 2.63934 -3.3821 GPRESSAVG: 419600 19.0302 -31.1114 54.4894 -26.9577 -55.0013 1.0425 52.6977 2.12811 -2.08741 TIMING: 419600 CPU: 1321.31, 0.00316699/step Wall: 1321.31, 0.00316699/step, 4.02946 hours remaining, 232.101562 MB of memory in use. ENERGY: 419600 3923.4714 20398.8277 14390.7690 233.5083 -203607.9739 2542.1641 0.0000 0.0000 52238.4932 -109880.7402 300.2153 -162119.2335 -109511.0484 298.8750 154.6575 194.8731 761328.7576 -12.6769 -12.6862 PRESSURE: 419800 89.9859 -73.0643 268.237 -73.0644 176.111 116.822 268.237 116.822 -177.235 GPRESSURE: 419800 75.229 -20.6438 276.841 -45.3676 187.596 159.924 281.412 20.468 -105.625 PRESSAVG: 419800 -27.7524 -29.2731 17.1949 -29.2732 8.18156 10.8369 17.1948 10.8368 -4.95677 GPRESSAVG: 419800 -27.5066 -26.1458 16.4221 -31.2596 8.08096 11.6143 19.2877 10.9553 -5.1427 TIMING: 419800 CPU: 1321.94, 0.00315337/step Wall: 1321.94, 0.00315337/step, 4.01196 hours remaining, 232.101562 MB of memory in use. ENERGY: 419800 4029.6423 20466.4158 14311.2789 230.7190 -203452.6715 2650.9616 0.0000 0.0000 51765.2198 -109998.4341 297.4954 -161763.6539 -109640.9581 298.3291 29.6207 52.4001 761202.1845 -8.1759 -8.1894 PRESSURE: 420000 -205.49 -12.9184 28.686 -12.9179 -219.223 111.109 28.6852 111.11 -285.565 GPRESSURE: 420000 -176.941 -42.37 106.22 70.3985 -164.683 116.528 39.4654 115.046 -305.228 PRESSAVG: 420000 -26.1046 -69.9682 47.9237 -69.9682 -19.4661 -77.0358 47.9237 -77.0358 17.0949 GPRESSAVG: 420000 -26.2344 -70.8953 49.7372 -69.5648 -19.859 -75.8359 46.3727 -77.8667 17.4879 TIMING: 420000 CPU: 1322.57, 0.00313596/step Wall: 1322.57, 0.00313596/step, 3.98963 hours remaining, 232.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 420000 4014.3233 20412.3230 14424.6239 236.7332 -203801.6812 2514.1382 0.0000 0.0000 52288.2073 -109911.3323 300.5010 -162199.5397 -109542.8904 298.6420 -236.7594 -215.6173 760847.5738 -9.4919 -9.5351 PRESSURE: 420200 -23.6865 148.846 136.739 148.847 -58.2915 -168.182 136.739 -168.182 -328.994 GPRESSURE: 420200 61.4708 162.358 201.936 166.334 -80.09 -86.1102 25.013 -255.557 -308.336 PRESSAVG: 420200 -3.09294 -22.7578 8.46147 -22.7578 -3.11764 -49.2218 8.4615 -49.2218 -21.6752 GPRESSAVG: 420200 -3.70149 -23.3697 5.70152 -20.5489 -2.21178 -50.464 10.1512 -48.097 -21.3853 TIMING: 420200 CPU: 1323.2, 0.00314286/step Wall: 1323.2, 0.00314287/step, 3.99825 hours remaining, 232.101562 MB of memory in use. ENERGY: 420200 3980.2696 20520.3078 14357.8863 228.7955 -203169.3878 2094.7574 0.0000 0.0000 52035.6756 -109951.6954 299.0497 -161987.3710 -109583.2035 299.3626 -136.9907 -108.9851 760328.3069 -9.2953 -9.0995 LDB: ============= START OF LOAD BALANCING ============== 1335.59 LDB: ============== END OF LOAD BALANCING =============== 1335.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1335.59 LDB: ============= START OF LOAD BALANCING ============== 1335.91 LDB: Largest compute 7064 load 0.032867 is 16.8% of average load 0.195689 LDB: Average compute 0.004391 is 2.2% of average load 0.195689 LDB: TIME 1335.91 LOAD: AVG 0.195689 MAX 0.216505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.316 MB LDB: TIME 1335.91 LOAD: AVG 0.195689 MAX 0.216505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.316 MB LDB: TIME 1335.91 LOAD: AVG 0.195689 MAX 0.216505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1335.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1335.92 PRESSURE: 420400 67.2764 267.258 333.619 267.259 169.221 -125.307 333.618 -125.307 251.998 GPRESSURE: 420400 176.671 169.072 374.665 296.102 134.515 -45.4201 172.502 -186.329 252.461 PRESSAVG: 420400 41.645 32.8668 43.0097 32.8668 -6.55549 -15.557 43.0097 -15.5569 -18.0262 GPRESSAVG: 420400 42.8468 33.296 44.9574 31.0331 -7.19997 -13.7729 42.3034 -17.8414 -18.2371 TIMING: 420400 CPU: 1323.84, 0.00319656/step Wall: 1323.84, 0.00319656/step, 4.06638 hours remaining, 231.847656 MB of memory in use. ENERGY: 420400 3982.5464 20481.2741 14432.3248 257.5116 -203363.2820 2320.4341 0.0000 0.0000 52138.2571 -109750.9338 299.6393 -161889.1909 -109389.2391 298.9842 162.8320 187.8823 759418.1649 5.6878 5.8033 PRESSURE: 420600 -232.96 122.708 1.43343 122.709 521.356 -322.014 1.4338 -322.015 750.676 GPRESSURE: 420600 -110.042 97.0291 -67.6594 118.115 458.708 -271.619 224.745 -227.236 763.042 PRESSAVG: 420600 -16.3284 6.43552 -9.18806 6.43549 -28.6507 -65.3237 -9.18813 -65.3238 -4.82769 GPRESSAVG: 420600 -17.0461 5.91019 -11.0667 6.12023 -27.9303 -65.3834 -10.2595 -65.6583 -4.69684 TIMING: 420600 CPU: 1324.47, 0.00314746/step Wall: 1324.47, 0.00314746/step, 4.00374 hours remaining, 231.847656 MB of memory in use. ENERGY: 420600 4003.3429 20464.5861 14463.5142 238.4494 -203362.8464 2535.6422 0.0000 0.0000 52037.8650 -109619.4466 299.0623 -161657.3116 -109254.8247 298.9193 346.3570 370.5694 759844.2884 -16.6023 -16.5578 PRESSURE: 420800 290.311 156.174 14.7832 156.174 -16.6034 159.07 14.7835 159.069 174.899 GPRESSURE: 420800 259.943 233.667 26.51 83.5657 66.4036 98.0358 91.0586 13.0141 207.017 PRESSAVG: 420800 -8.11051 -35.8097 4.03763 -35.8097 -12.2755 -2.79199 4.03767 -2.79201 -8.60987 GPRESSAVG: 420800 -7.47731 -34.8954 5.37793 -34.8051 -12.9126 -3.81821 4.38855 -2.01899 -8.69524 TIMING: 420800 CPU: 1325.1, 0.00315189/step Wall: 1325.1, 0.00315189/step, 4.0092 hours remaining, 231.886719 MB of memory in use. ENERGY: 420800 4145.6880 20403.1780 14373.3086 244.2480 -203578.3268 2750.5716 0.0000 0.0000 52053.1003 -109608.2324 299.1499 -161661.3328 -109250.6300 298.6191 149.5355 177.7881 759751.6266 -9.6653 -9.6950 PRESSURE: 421000 -16.3688 18.7651 -0.928158 18.7654 289.8 -33.7438 -0.929149 -33.7421 79.5043 GPRESSURE: 421000 28.6301 -65.4763 -28.59 7.39645 321.727 -11.8219 -76.4902 -23.6245 63.5235 PRESSAVG: 421000 5.6636 -27.5192 -20.3897 -27.5191 -28.372 -26.8199 -20.3897 -26.82 -11.8733 GPRESSAVG: 421000 4.8274 -26.3657 -19.1281 -27.6663 -26.3538 -27.2059 -21.8257 -25.5998 -12.89 TIMING: 421000 CPU: 1325.73, 0.00315375/step Wall: 1325.73, 0.00315375/step, 4.0114 hours remaining, 231.886719 MB of memory in use. ENERGY: 421000 3959.4745 20608.9789 14441.3912 230.0935 -203495.4379 2596.4475 0.0000 0.0000 52182.9633 -109476.0890 299.8962 -161659.0523 -109111.5848 298.8310 117.6450 137.9603 759983.1128 -11.5272 -11.4722 PRESSURE: 421200 66.8604 40.1765 1.59495 40.1764 -263.737 140.995 1.59523 140.995 166.66 GPRESSURE: 421200 22.8719 -64.7163 45.9553 -36.2511 -144.166 103.412 -132.519 58.9802 170.243 PRESSAVG: 421200 9.48079 -7.17176 -33.1573 -7.17175 -50.9073 4.19108 -33.1572 4.1911 17.7381 GPRESSAVG: 421200 10.283 -9.95089 -35.5043 -7.15222 -52.3224 5.4496 -30.0623 3.66394 18.8074 TIMING: 421200 CPU: 1326.36, 0.00315052/step Wall: 1326.36, 0.00315052/step, 4.00711 hours remaining, 231.886719 MB of memory in use. ENERGY: 421200 3934.6054 20588.2792 14457.1007 252.9838 -203439.8389 2516.7687 0.0000 0.0000 52155.2580 -109534.8430 299.7370 -161690.1010 -109164.3168 299.1054 -10.0722 16.3163 759093.1697 -7.8961 -7.7440 PRESSURE: 421400 315.785 -5.79825 39.7477 -5.7983 -42.8096 100.679 39.7474 100.68 272.422 GPRESSURE: 421400 361.802 -100.167 27.8091 -27.3806 72.1783 31.3808 93.0494 150.202 211.14 PRESSAVG: 421400 40.4039 -15.9297 -24.8516 -15.9298 -30.6516 -0.349422 -24.8517 -0.349343 -13.1149 GPRESSAVG: 421400 39.7929 -14.2669 -22.5627 -17.8656 -28.4495 -1.29904 -28.5609 0.102195 -14.1924 TIMING: 421400 CPU: 1327, 0.00319779/step Wall: 1327, 0.00319779/step, 4.06705 hours remaining, 231.886719 MB of memory in use. ENERGY: 421400 4006.1198 20642.9889 14402.6409 246.0792 -203148.4059 2411.1743 0.0000 0.0000 51805.9622 -109633.4406 297.7296 -161439.4029 -109279.5993 299.5155 181.7990 215.0404 760700.3911 -1.1209 -0.9497 PRESSURE: 421600 24.6441 -65.5943 16.2782 -65.5936 -122.842 -134.555 16.2785 -134.555 -137.875 GPRESSURE: 421600 14.3325 -13.7897 9.93368 -54.7881 -88.6129 -121.072 64.9579 -152.454 -81.5687 PRESSAVG: 421600 -1.48685 -11.3722 -39.5457 -11.3721 2.10039 -6.52925 -39.5458 -6.52916 -10.9301 GPRESSAVG: 421600 -1.8908 -14.3273 -40.5642 -8.94334 0.233875 -7.41078 -35.6401 -7.89752 -9.61592 TIMING: 421600 CPU: 1327.63, 0.00315185/step Wall: 1327.63, 0.00315185/step, 4.00845 hours remaining, 231.886719 MB of memory in use. ENERGY: 421600 3932.2033 20509.3903 14367.6257 270.3140 -203511.3291 2479.3626 0.0000 0.0000 52147.4454 -109804.9879 299.6921 -161952.4333 -109451.7752 299.0518 -78.6908 -51.9497 759761.9171 -3.4389 -3.7576 PRESSURE: 421800 -64.5455 139.613 38.4823 139.613 47.2923 -94.0802 38.4824 -94.0805 -291.112 GPRESSURE: 421800 -69.6423 13.4075 66.5614 294.607 191.233 -190.436 46.7682 -135.497 -333.525 PRESSAVG: 421800 -3.11124 -36.6981 17.5691 -36.6981 0.774761 -31.6921 17.5691 -31.6921 -6.71223 GPRESSAVG: 421800 -2.53107 -33.5003 17.7424 -34.9144 -0.128131 -31.5647 16.1402 -30.2379 -6.59031 TIMING: 421800 CPU: 1328.26, 0.0031542/step Wall: 1328.26, 0.0031542/step, 4.01127 hours remaining, 231.886719 MB of memory in use. ENERGY: 421800 4040.3641 20546.0041 14373.2320 241.8020 -203501.1036 2491.1382 0.0000 0.0000 51953.5116 -109855.0515 298.5775 -161808.5631 -109487.8503 298.6096 -102.7885 -70.6449 759975.3664 -3.0162 -3.0832 PRESSURE: 422000 -409.051 -89.1487 -267.157 -89.1495 223.513 -95.7582 -267.158 -95.7583 -65.4952 GPRESSURE: 422000 -304.697 86.5174 -259.727 -224.155 177.758 -5.51265 -85.8067 -148.422 -33.1376 PRESSAVG: 422000 -38.2615 -32.9212 -15.3296 -32.9212 -24.2855 40.783 -15.3296 40.783 12.5255 GPRESSAVG: 422000 -36.5661 -32.3691 -17.0488 -35.386 -25.0489 41.8752 -14.5937 39.0362 11.2684 TIMING: 422000 CPU: 1328.89, 0.00317671/step Wall: 1328.89, 0.00317671/step, 4.03972 hours remaining, 231.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 422000 3965.0528 20493.1283 14470.3316 252.5797 -203537.0159 2487.6873 0.0000 0.0000 51866.4014 -110001.8348 298.0769 -161868.2362 -109647.8649 298.2682 -83.6778 -53.3589 761970.0463 -16.6739 -16.7822 PRESSURE: 422200 -160.385 164.063 80.4654 164.062 -113.773 -211.957 80.4649 -211.958 -192.673 GPRESSURE: 422200 -133.401 150.183 3.53086 104.526 -58.8271 -209.38 140.004 -83.8885 -174.353 PRESSAVG: 422200 -29.8456 -41.3208 45.9859 -41.3208 43.413 -1.54536 45.9859 -1.54532 37.3302 GPRESSAVG: 422200 -30.7522 -42.9309 47.6267 -40.4368 45.0158 -1.34547 46.3176 0.865767 36.7183 TIMING: 422200 CPU: 1329.53, 0.00317344/step Wall: 1329.53, 0.00317344/step, 4.03538 hours remaining, 231.886719 MB of memory in use. ENERGY: 422200 3942.1549 20559.1910 14443.1685 265.0649 -203611.0716 2607.1537 0.0000 0.0000 51847.2683 -109947.0703 297.9670 -161794.3386 -109596.2287 298.4838 -155.6102 -122.1937 761262.9789 16.9658 16.9940 PRESSURE: 422400 -131.241 -92.8954 139.32 -92.8952 -214.901 -290.387 139.321 -290.386 -49.4042 GPRESSURE: 422400 -136.176 -142.283 98.0857 -182.882 -105.96 -237.31 192.485 -135.231 -63.896 PRESSAVG: 422400 8.53423 -37.8546 58.7814 -37.8546 20.7903 -32.56 58.7815 -32.56 -10.0185 GPRESSAVG: 422400 8.75356 -36.4839 59.0401 -37.5796 20.2773 -33.0643 58.2046 -33.0543 -9.50335 TIMING: 422400 CPU: 1330.16, 0.00315394/step Wall: 1330.16, 0.00315394/step, 4.01041 hours remaining, 231.886719 MB of memory in use. ENERGY: 422400 4064.3322 20445.6238 14415.7906 244.0538 -203550.8705 2640.3803 0.0000 0.0000 51978.1306 -109762.5591 298.7190 -161740.6897 -109405.5291 299.0073 -131.8489 -102.0107 761119.7309 6.4353 6.5092 PRESSURE: 422600 64.5868 -141.158 172.57 -141.158 127.178 14.0608 172.57 14.061 514.415 GPRESSURE: 422600 36.7852 -146.325 151.971 -124.582 213.835 -113.563 43.181 115.762 550.796 PRESSAVG: 422600 -84.3201 3.12642 7.25028 3.12642 63.5045 -27.4964 7.2503 -27.4964 9.72697 GPRESSAVG: 422600 -85.1647 2.99521 5.81093 1.57132 63.278 -27.9976 5.91502 -27.6141 10.0967 TIMING: 422600 CPU: 1330.79, 0.00316537/step Wall: 1330.79, 0.00316537/step, 4.02477 hours remaining, 231.886719 MB of memory in use. ENERGY: 422600 3950.2391 20381.2473 14437.0578 254.9154 -203712.7625 2833.9773 0.0000 0.0000 51973.6887 -109881.6369 298.6935 -161855.3256 -109533.1580 298.0888 235.3933 267.1388 759943.9575 -3.6962 -3.9300 PRESSURE: 422800 -36.6451 -100.986 90.453 -100.985 -250.926 -156.644 90.4535 -156.644 -181.722 GPRESSURE: 422800 9.48958 -102.538 144.395 17.4916 -177.61 -183.132 97.3002 58.4518 -209.099 PRESSAVG: 422800 -3.43709 5.53671 25.461 5.53673 -16.0052 -62.6935 25.461 -62.6935 22.3901 GPRESSAVG: 422800 -3.68844 7.38869 25.0823 5.10719 -15.7043 -63.571 24.4235 -63.6073 22.4853 TIMING: 422800 CPU: 1331.43, 0.00317617/step Wall: 1331.43, 0.00317617/step, 4.03832 hours remaining, 231.886719 MB of memory in use. ENERGY: 422800 4019.0605 20271.9914 14543.6158 245.1491 -203183.6060 2466.2680 0.0000 0.0000 51765.4528 -109872.0682 297.4968 -161637.5211 -109507.0915 298.2429 -156.4310 -125.7400 761272.4169 0.9826 1.0309 PRESSURE: 423000 41.9561 276.123 -1.74911 276.123 -229.163 27.7028 -1.7491 27.7033 -468.321 GPRESSURE: 423000 -53.3036 203.243 -10.4089 183.432 -57.2755 -32.9203 -10.8698 108.816 -469.283 PRESSAVG: 423000 -36.559 -62.8799 48.4575 -62.8799 39.0764 -58.1485 48.4574 -58.1485 5.6717 GPRESSAVG: 423000 -36.2748 -64.2965 48.4644 -61.8985 38.3564 -58.4731 51.2296 -56.3001 6.17991 TIMING: 423000 CPU: 1332.06, 0.00317318/step Wall: 1332.06, 0.00317318/step, 4.03434 hours remaining, 231.886719 MB of memory in use. ENERGY: 423000 4028.2904 20531.6410 14400.5489 217.4548 -203097.2935 2210.7272 0.0000 0.0000 51725.8011 -109982.8301 297.2689 -161708.6312 -109619.3395 297.7185 -218.5092 -193.2873 759891.7276 2.7297 2.7538 PRESSURE: 423200 -5.20646 -126.729 35.1638 -126.729 99.788 -4.9622 35.1638 -4.96171 212.718 GPRESSURE: 423200 32.3333 -101.831 9.80716 -125.231 144.654 67.8763 -22.4017 -61.6448 199.569 PRESSAVG: 423200 -43.0745 -79.9015 53.0297 -79.9016 59.5004 -16.901 53.0296 -16.9011 0.955558 GPRESSAVG: 423200 -44.6536 -80.5975 52.8486 -79.4993 59.8187 -17.2637 53.2794 -17.9248 1.21176 TIMING: 423200 CPU: 1332.7, 0.00317482/step Wall: 1332.7, 0.00317482/step, 4.03625 hours remaining, 231.886719 MB of memory in use. ENERGY: 423200 3989.3680 20628.9679 14413.0212 258.9269 -203721.3644 2689.0395 0.0000 0.0000 51778.8058 -109963.2351 297.5735 -161742.0410 -109607.9436 298.6465 102.4331 125.5185 758848.0624 5.7938 5.4590 PRESSURE: 423400 -107.648 -9.89573 142.332 -9.89505 453.581 -73.9559 142.332 -73.9559 39.2622 GPRESSURE: 423400 -22.4842 -187.734 168.601 50.5887 384.77 -108.023 186.678 -187.454 107.005 PRESSAVG: 423400 -52.3212 -28.6155 56.449 -28.6155 74.7597 -26.335 56.449 -26.3351 -8.20728 GPRESSAVG: 423400 -50.8338 -29.3674 57.4777 -29.4088 73.9949 -24.8077 55.1253 -28.0071 -9.51858 TIMING: 423400 CPU: 1333.34, 0.00320289/step Wall: 1333.34, 0.00320289/step, 4.07176 hours remaining, 231.886719 MB of memory in use. ENERGY: 423400 3926.1197 20520.1060 14380.7117 219.2020 -203798.8073 2571.0930 0.0000 0.0000 52077.7946 -110103.7804 299.2918 -162181.5750 -109748.6941 299.3129 128.3983 156.4303 758402.6848 4.7437 4.5475 PRESSURE: 423600 342.042 -37.2114 12.0799 -37.211 216.996 30.695 12.0803 30.6952 424.269 GPRESSURE: 423600 399.695 -3.56672 51.5062 -160.295 276.593 58.9234 59.8506 100.956 379.73 PRESSAVG: 423600 20.5363 -4.09845 42.7357 -4.0984 21.6176 -16.4132 42.7357 -16.4132 -14.8828 GPRESSAVG: 423600 20.1128 -3.57671 42.8074 -5.03851 22.1163 -17.0343 44.2862 -14.315 -15.298 TIMING: 423600 CPU: 1333.97, 0.0031898/step Wall: 1333.97, 0.0031898/step, 4.05494 hours remaining, 231.886719 MB of memory in use. ENERGY: 423600 3898.4339 20440.6085 14420.4083 236.6292 -204191.4669 2852.8715 0.0000 0.0000 52321.4128 -110021.1027 300.6919 -162342.5155 -109662.9465 298.4622 327.7688 352.0061 758718.5175 9.0904 8.9771 PRESSURE: 423800 223.416 -13.0097 152.646 -13.0098 5.5099 54.6403 152.646 54.6405 10.1637 GPRESSURE: 423800 242.33 22.1954 60.49 -78.9513 19.0509 -9.14515 263.376 63.4708 72.7553 PRESSAVG: 423800 -61.3862 -40.4718 37.9195 -40.4718 54.093 25.3215 37.9195 25.3215 -1.91329 GPRESSAVG: 423800 -61.1804 -38.2361 38.2534 -41.6542 52.7918 25.1677 37.1833 25.3182 -0.561196 TIMING: 423800 CPU: 1334.61, 0.00316615/step Wall: 1334.61, 0.00316615/step, 4.02471 hours remaining, 231.886719 MB of memory in use. ENERGY: 423800 4006.8226 20326.7843 14457.8810 240.9954 -203594.8506 2536.1969 0.0000 0.0000 52054.2022 -109971.9683 299.1562 -162026.1706 -109598.0165 299.0750 79.6965 111.3787 759147.6140 -3.0688 -2.9833 PRESSURE: 424000 -299.267 83.3133 -17.3367 83.3129 -15.8029 -314.599 -17.3371 -314.599 -192.68 GPRESSURE: 424000 -174.748 31.7785 109.414 69.9055 -37.7 -319.081 54.2795 -288.032 -214.08 PRESSAVG: 424000 -50.0562 -18.4578 44.3219 -18.4578 91.4826 19.5291 44.3219 19.5291 -6.49005 GPRESSAVG: 424000 -51.1431 -21.0871 43.3462 -15.9621 92.981 19.851 43.7257 17.963 -6.96112 TIMING: 424000 CPU: 1335.24, 0.00313937/step Wall: 1335.24, 0.00313937/step, 3.99049 hours remaining, 231.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 424000 4033.6946 20580.2506 14489.0063 232.6635 -203652.3998 2235.3696 0.0000 0.0000 52043.4369 -110037.9784 299.0943 -162081.4153 -109684.0333 298.8590 -169.2498 -142.1761 759200.1449 11.6454 11.6256 PRESSURE: 424200 37.1256 -92.1378 -8.22396 -92.1368 119.073 99.5597 -8.22271 99.5591 103.488 GPRESSURE: 424200 158.728 -21.7887 -112.466 -194.554 88.3721 54.2806 81.8557 242.53 88.3546 PRESSAVG: 424200 -52.4077 -39.7402 -10.3496 -39.7402 61.2191 41.5336 -10.3496 41.5335 -19.9774 GPRESSAVG: 424200 -51.8157 -37.5136 -9.73914 -41.1158 60.5589 41.6783 -10.2687 44.4237 -20.1533 TIMING: 424200 CPU: 1335.87, 0.00314583/step Wall: 1335.87, 0.00314583/step, 3.99852 hours remaining, 231.886719 MB of memory in use. ENERGY: 424200 4017.3109 20537.2887 14383.1004 258.7854 -203826.7641 2711.1518 0.0000 0.0000 52069.8640 -109849.2629 299.2462 -161919.1269 -109492.0197 298.6332 86.5623 111.8184 758790.4408 -3.7220 -3.8034 LDB: ============= START OF LOAD BALANCING ============== 1348.27 LDB: ============== END OF LOAD BALANCING =============== 1348.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1348.27 LDB: ============= START OF LOAD BALANCING ============== 1348.58 LDB: Largest compute 7024 load 0.032324 is 16.5% of average load 0.195678 LDB: Average compute 0.004389 is 2.2% of average load 0.195678 LDB: TIME 1348.59 LOAD: AVG 0.195678 MAX 0.220612 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.172 MB LDB: TIME 1348.59 LOAD: AVG 0.195678 MAX 0.220612 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.211 MB LDB: TIME 1348.59 LOAD: AVG 0.195678 MAX 0.218013 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.211 MB LDB: ============== END OF LOAD BALANCING =============== 1348.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1348.6 PRESSURE: 424400 174.845 -87.6704 -49.4509 -87.6692 -123.511 56.7805 -49.4503 56.7813 -86.4584 GPRESSURE: 424400 292.946 -38.2721 -44.3624 8.80808 -120.172 62.431 -67.154 107.303 -115.971 PRESSAVG: 424400 -24.6744 -59.4439 -6.25723 -59.4439 -6.96864 14.4911 -6.25726 14.4912 5.06032 GPRESSAVG: 424400 -24.7386 -60.6625 -6.60813 -57.9421 -6.32673 14.7772 -8.04349 12.8461 4.95733 TIMING: 424400 CPU: 1336.51, 0.0032415/step Wall: 1336.51, 0.0032415/step, 4.11995 hours remaining, 232.968750 MB of memory in use. ENERGY: 424400 4043.2090 20564.6386 14447.4832 257.8294 -203673.5741 2702.6683 0.0000 0.0000 52077.5486 -109580.1971 299.2904 -161657.7456 -109210.0130 299.7243 -11.7081 18.9340 759651.9260 -8.8609 -8.7027 PRESSURE: 424600 -396.539 -178.618 -68.6303 -178.617 -361.7 121.139 -68.6305 121.14 -515.62 GPRESSURE: 424600 -445.424 -102.84 -167.352 -187.934 -241.32 -34.0777 -146.722 132.305 -493.836 PRESSAVG: 424600 -5.02504 -41.8363 42.3499 -41.8363 -56.0474 25.6451 42.3499 25.645 15.2198 GPRESSAVG: 424600 -4.4856 -40.3897 40.5147 -42.9958 -55.4576 24.3086 44.5333 25.0642 14.7089 TIMING: 424600 CPU: 1337.14, 0.00315335/step Wall: 1337.14, 0.00315335/step, 4.00773 hours remaining, 233.171875 MB of memory in use. ENERGY: 424600 4011.3821 20596.9547 14484.2988 254.9210 -203735.4242 2738.3599 0.0000 0.0000 51966.0173 -109683.4904 298.6494 -161649.5077 -109316.0287 299.5295 -424.6197 -393.5265 761661.4991 -15.2842 -15.0781 PRESSURE: 424800 -250.511 -149.073 -26.5229 -149.072 151.26 19.3312 -26.5233 19.3318 230.528 GPRESSURE: 424800 -191.708 -82.4661 -82.5506 -164.288 121.553 50.2969 -13.3085 5.30522 271.932 PRESSAVG: 424800 -26.5836 6.7363 11.9601 6.73627 -4.65042 20.669 11.9601 20.669 -1.98639 GPRESSAVG: 424800 -26.5849 5.67198 12.8315 8.27658 -5.67121 22.2691 11.9988 19.4958 -1.12812 TIMING: 424800 CPU: 1337.77, 0.00313873/step Wall: 1337.77, 0.00313873/step, 3.98898 hours remaining, 233.398438 MB of memory in use. ENERGY: 424800 4043.4336 20546.3481 14424.5064 273.3481 -203888.7222 2749.6991 0.0000 0.0000 52248.9803 -109602.4066 300.2756 -161851.3868 -109240.6135 299.5706 43.7588 67.2591 758815.0708 -11.0735 -11.1281 PRESSURE: 425000 -35.7558 -359.036 247.759 -359.036 -182.257 214.705 247.76 214.705 69.7394 GPRESSURE: 425000 30.4722 -312.374 164.082 -406.73 -123.741 194.11 348.459 248.888 28.6494 PRESSAVG: 425000 65.4555 -7.26381 -11.6607 -7.26379 -57.8938 -40.9806 -11.6607 -40.9805 -0.975147 GPRESSAVG: 425000 65.5157 -6.54085 -11.0982 -9.13636 -57.8749 -41.8728 -12.6145 -38.6212 -1.20562 TIMING: 425000 CPU: 1338.4, 0.00315525/step Wall: 1338.4, 0.00315525/step, 4.0098 hours remaining, 233.398438 MB of memory in use. ENERGY: 425000 3855.7276 20679.0254 14490.8424 250.1125 -203562.2411 2445.4536 0.0000 0.0000 52112.8631 -109728.2165 299.4933 -161841.0796 -109370.2262 299.9693 -49.4245 -21.5397 758673.4773 2.1955 2.1450 PRESSURE: 425200 233.66 -163.197 -208.315 -163.197 120.373 45.785 -208.315 45.7839 194.189 GPRESSURE: 425200 176.597 -137.208 -285.028 -57.5513 246.018 47.535 -230.666 -1.81154 222.343 PRESSAVG: 425200 53.3502 -20.3464 7.03475 -20.3465 -37.5476 6.02616 7.03474 6.02615 -8.45345 GPRESSAVG: 425200 52.1068 -21.3109 6.7099 -18.0491 -37.5165 5.3849 8.02539 4.57473 -7.73268 TIMING: 425200 CPU: 1339.04, 0.00316293/step Wall: 1339.04, 0.00316293/step, 4.01939 hours remaining, 233.398438 MB of memory in use. ENERGY: 425200 3982.1659 20536.3351 14431.3233 256.0728 -203698.3537 2796.7124 0.0000 0.0000 51900.3311 -109795.4132 298.2719 -161695.7443 -109433.3080 299.5605 182.7405 214.9861 759329.0880 2.4497 2.2859 PRESSURE: 425400 347.656 -102.947 42.6313 -102.946 -147.271 -32.6589 42.6307 -32.6593 -188.462 GPRESSURE: 425400 307.976 -30.191 33.2877 -173.609 31.8662 50.0269 95.6391 29.75 -225.627 PRESSAVG: 425400 25.9633 -48.911 44.2143 -48.911 15.0471 19.6173 44.2142 19.6174 20.9469 GPRESSAVG: 425400 24.7224 -48.164 44.7238 -50.7881 16.2193 20.9059 42.7807 19.353 20.8715 TIMING: 425400 CPU: 1339.67, 0.0031658/step Wall: 1339.67, 0.0031658/step, 4.02285 hours remaining, 233.398438 MB of memory in use. ENERGY: 425400 4007.9271 20470.1179 14423.5056 266.1150 -203558.4343 2570.7914 0.0000 0.0000 52239.3860 -109580.5913 300.2205 -161819.9773 -109208.1404 299.4879 3.9741 38.0717 758609.8770 20.6525 20.6044 PRESSURE: 425600 -134.537 15.432 55.0509 15.4326 85.4964 138.342 55.0501 138.342 -11.4772 GPRESSURE: 425600 -116.411 6.74799 157.785 0.998303 179.815 177.711 13.9701 45.0419 -47.409 PRESSAVG: 425600 -5.33365 1.71742 -24.4706 1.71751 39.9229 -3.40833 -24.4706 -3.4082 -11.2522 GPRESSAVG: 425600 -3.86428 0.533538 -25.3734 2.84947 39.9281 -3.17286 -22.0586 -2.79518 -12.4914 TIMING: 425600 CPU: 1340.3, 0.00313825/step Wall: 1340.3, 0.00313825/step, 3.98766 hours remaining, 233.398438 MB of memory in use. ENERGY: 425600 3969.0676 20501.8100 14433.2808 235.9805 -203285.4669 2404.1233 0.0000 0.0000 52141.1178 -109600.0869 299.6557 -161741.2047 -109247.9883 299.5465 -20.1725 5.3316 759915.4049 7.7790 7.8575 PRESSURE: 425800 -189.228 -96.8809 -113.712 -96.8824 -265.024 -109.02 -113.711 -109.02 283.476 GPRESSURE: 425800 -167.641 -37.6517 -33.0365 -85.3787 -236.112 -120.94 -66.4125 22.3387 292.899 PRESSAVG: 425800 -6.15063 -22.7828 11.2173 -22.7828 -19.6645 26.1816 11.2173 26.1817 22.885 GPRESSAVG: 425800 -5.62937 -23.8237 9.76615 -21.41 -19.7374 24.3919 8.72813 26.2148 22.2468 TIMING: 425800 CPU: 1340.92, 0.00313886/step Wall: 1340.92, 0.00313886/step, 3.98827 hours remaining, 233.398438 MB of memory in use. ENERGY: 425800 4016.7811 20589.6444 14381.9602 238.8148 -203468.8807 2545.1009 0.0000 0.0000 51968.1891 -109728.3900 298.6619 -161696.5792 -109367.7558 299.0229 -56.9255 -36.9513 760677.7806 -0.9767 -1.0400 PRESSURE: 426000 -25.2697 -22.7378 -194.841 -22.7372 18.2334 149.819 -194.84 149.819 4.47876 GPRESSURE: 426000 13.8779 53.6317 -258.956 19.0616 94.3444 182.212 -82.8249 160.487 -3.44994 PRESSAVG: 426000 4.10135 -12.3884 4.77968 -12.3884 -21.5844 26.896 4.77971 26.8961 8.78314 GPRESSAVG: 426000 2.086 -9.0233 6.29327 -14.0743 -21.9334 27.8759 4.94932 25.1697 11.3705 TIMING: 426000 CPU: 1341.56, 0.00316407/step Wall: 1341.56, 0.00316407/step, 4.02013 hours remaining, 233.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 426000 3988.5247 20587.5640 14316.6865 240.8720 -203526.5132 2707.2708 0.0000 0.0000 51947.2713 -109738.3238 298.5417 -161685.5951 -109370.6104 299.2063 -0.8525 34.9241 760790.4247 -2.9000 -2.8256 PRESSURE: 426200 40.9323 -114.794 -72.7383 -114.794 37.9266 71.6769 -72.7388 71.6755 -33.4498 GPRESSURE: 426200 112.163 -123.607 -55.1056 -84.4521 62.3686 68.3737 -231.756 51.1386 -29.1914 PRESSAVG: 426200 6.27887 -24.0994 1.3854 -24.0994 19.7894 -79.6661 1.38547 -79.6662 -4.50922 GPRESSAVG: 426200 7.05229 -26.2416 2.45463 -21.5431 20.2753 -80.3768 1.23215 -77.7017 -5.69026 TIMING: 426200 CPU: 1342.19, 0.00315485/step Wall: 1342.19, 0.00315485/step, 4.00824 hours remaining, 233.398438 MB of memory in use. ENERGY: 426200 3963.8602 20613.8827 14353.1064 245.9237 -203613.3117 2656.5819 0.0000 0.0000 52204.8673 -109575.0896 300.0221 -161779.9568 -109206.4318 299.5731 15.1363 48.4466 758249.4227 7.1863 7.2125 PRESSURE: 426400 -223.943 29.1277 -18.4306 29.1277 466.739 -73.3844 -18.4308 -73.385 -230.891 GPRESSURE: 426400 -163.451 -13.3823 56.1189 -11.6137 464.586 -49.3526 -29.3275 -80.9368 -205.77 PRESSAVG: 426400 20.3091 22.1542 -45.3537 22.1543 -1.95053 0.925387 -45.3537 0.925437 -5.91582 GPRESSAVG: 426400 19.4991 21.7638 -45.5979 22.0613 -1.99931 2.71136 -45.9584 0.164474 -4.98518 TIMING: 426400 CPU: 1342.82, 0.00314841/step Wall: 1342.82, 0.00314841/step, 3.99988 hours remaining, 233.398438 MB of memory in use. ENERGY: 426400 3994.7429 20597.3121 14413.9309 244.7669 -203148.9199 2536.4723 0.0000 0.0000 51731.5819 -109630.1128 297.3021 -161361.6947 -109275.7549 299.7308 3.9683 31.7880 759251.5253 4.1476 4.1715 PRESSURE: 426600 113.956 114.044 -216.856 114.043 97.6794 -60.3102 -216.857 -60.3106 -11.9319 GPRESSURE: 426600 114.597 168.403 -299.802 83.0403 221.289 -154.505 -221.204 -69.3221 -55.7522 PRESSAVG: 426600 -60.8833 33.3385 -7.62588 33.3385 55.7436 -7.00023 -7.6259 -7.00022 -21.0808 GPRESSAVG: 426600 -61.2138 33.3443 -9.87154 32.9917 56.6798 -7.5267 -5.61368 -8.04427 -22.0179 TIMING: 426600 CPU: 1343.45, 0.00316021/step Wall: 1343.45, 0.00316021/step, 4.01469 hours remaining, 233.398438 MB of memory in use. ENERGY: 426600 4017.6559 20566.9317 14371.6856 242.0147 -203439.6743 2500.7637 0.0000 0.0000 52022.4744 -109718.1482 298.9739 -161740.6226 -109366.2229 299.5362 66.5677 93.3778 758659.2347 -8.7402 -8.8506 PRESSURE: 426800 -33.1753 -107.034 138.703 -107.035 240.381 43.0049 138.702 43.0044 -110.496 GPRESSURE: 426800 -2.4652 -163.571 211.505 6.2114 257.183 4.31549 111.544 -20.7436 -70.9214 PRESSAVG: 426800 19.6236 1.80294 2.07441 1.80291 9.57263 6.56721 2.07441 6.56718 19.9725 GPRESSAVG: 426800 19.3909 1.73672 2.22905 0.274989 8.91705 5.62661 0.379826 8.71706 20.7775 TIMING: 426800 CPU: 1344.09, 0.00320225/step Wall: 1344.09, 0.00320225/step, 4.06793 hours remaining, 233.398438 MB of memory in use. ENERGY: 426800 4029.7211 20455.7305 14448.6707 239.1408 -202949.2966 2228.8177 0.0000 0.0000 52077.5570 -109469.6589 299.2904 -161547.2159 -109106.9858 299.5317 32.2367 61.2653 760606.1964 16.3896 16.3618 PRESSURE: 427000 -263.103 144.67 -3.1072 144.671 -107.722 98.7069 -3.10723 98.7064 -54.0279 GPRESSURE: 427000 -267.75 209.367 -53.8774 28.3814 -16.8584 81.6023 17.0322 74.1803 -49.7975 PRESSAVG: 427000 -3.82918 -5.85719 20.3892 -5.85715 9.0127 -7.01651 20.3892 -7.01662 -8.0453 GPRESSAVG: 427000 -3.54012 -4.63296 22.1857 -8.32515 9.25252 -6.3587 20.406 -9.14447 -9.08685 TIMING: 427000 CPU: 1344.73, 0.00319305/step Wall: 1344.73, 0.00319305/step, 4.05606 hours remaining, 233.398438 MB of memory in use. ENERGY: 427000 4010.0950 20661.4679 14432.2484 247.1984 -203232.4147 2524.8707 0.0000 0.0000 52014.7393 -109341.7950 298.9294 -161356.5343 -108988.9216 299.7275 -141.6176 -111.4687 761036.1197 -0.9539 -1.1248 PRESSURE: 427200 -272.602 20.9121 63.7131 20.9125 -98.2808 91.4481 63.7131 91.4467 425.161 GPRESSURE: 427200 -204.11 -27.2523 81.6155 99.4207 -44.0229 24.2048 119.719 186.339 381.509 PRESSAVG: 427200 -35.1585 24.0466 -24.5882 24.0467 65.8619 -18.8594 -24.5882 -18.8594 31.4711 GPRESSAVG: 427200 -34.5396 21.5899 -25.6829 27.9037 65.4777 -18.7301 -22.8195 -16.9689 31.0999 TIMING: 427200 CPU: 1345.37, 0.00319485/step Wall: 1345.37, 0.00319485/step, 4.05817 hours remaining, 233.398438 MB of memory in use. ENERGY: 427200 3957.6763 20617.0038 14443.1545 235.9449 -202889.9298 2256.1259 0.0000 0.0000 52018.7836 -109361.2408 298.9527 -161380.0243 -108993.1543 299.2029 18.0928 44.4586 761367.2800 20.7248 20.6793 PRESSURE: 427400 -202.723 92.1428 -41.9349 92.1424 -245.45 130.689 -41.9342 130.689 -460.285 GPRESSURE: 427400 -262.938 -24.0609 57.1677 0.291422 -191.423 158.635 27.3231 96.3822 -387.997 PRESSAVG: 427400 -47.4577 9.75093 15.9506 9.75095 7.76524 10.0121 15.9506 10.0121 -6.2267 GPRESSAVG: 427400 -46.9 9.67592 16.8051 7.58608 6.17187 9.10596 15.5943 10.8392 -4.85754 TIMING: 427400 CPU: 1346.01, 0.00318974/step Wall: 1346.01, 0.00318974/step, 4.05151 hours remaining, 233.398438 MB of memory in use. ENERGY: 427400 4033.6076 20702.4605 14347.3877 242.2422 -203264.6131 2220.1236 0.0000 0.0000 52230.0048 -109488.7867 300.1666 -161718.7915 -109112.5303 299.9762 -302.8194 -280.7863 759415.2958 -15.3064 -15.1952 PRESSURE: 427600 -77.7972 39.4378 -150.012 39.4387 92.0211 31.9475 -150.013 31.9474 -280.298 GPRESSURE: 427600 21.7496 -87.6126 -179.931 9.08752 94.3571 63.0255 -185.599 -95.2322 -283.401 PRESSAVG: 427600 -28.349 -47.8776 -14.8528 -47.8776 10.4961 -40.6779 -14.8529 -40.6779 8.4194 GPRESSAVG: 427600 -28.8774 -46.7493 -14.6602 -47.1663 12.4151 -39.2825 -16.4422 -43.2114 7.57429 TIMING: 427600 CPU: 1346.64, 0.00317418/step Wall: 1346.64, 0.00317418/step, 4.03156 hours remaining, 233.398438 MB of memory in use. ENERGY: 427600 3903.8182 20725.0097 14341.1318 228.9259 -203085.9319 2214.6075 0.0000 0.0000 52140.3156 -109532.1231 299.6511 -161672.4387 -109165.8368 299.6938 -88.6913 -55.7649 761187.7806 -3.1445 -2.9627 PRESSURE: 427800 60.7298 -60.1084 296.533 -60.1089 -131.891 -100.671 296.533 -100.672 -257.132 GPRESSURE: 427800 115.746 -34.4508 336.287 85.432 -200.615 -30.0109 95.3792 -117.277 -150.133 PRESSAVG: 427800 -8.43128 -12.3537 37.2269 -12.3537 28.9504 -52.0966 37.227 -52.0966 7.50635 GPRESSAVG: 427800 -8.7487 -12.06 37.2386 -13.1154 28.5011 -52.5263 38.4576 -52.2448 8.08408 TIMING: 427800 CPU: 1347.27, 0.00315873/step Wall: 1347.27, 0.00315873/step, 4.01176 hours remaining, 233.398438 MB of memory in use. ENERGY: 427800 4021.7539 20528.9962 14434.5189 259.4832 -203338.8242 2504.9878 0.0000 0.0000 52099.3862 -109489.6979 299.4159 -161589.0842 -109113.0065 299.4009 -109.4309 -78.3340 760923.8912 9.3418 9.2788 PRESSURE: 428000 -161.862 -72.9897 62.7355 -72.9899 -316.467 52.1743 62.7346 52.1738 -311.853 GPRESSURE: 428000 -81.5268 -58.261 145.852 -156.419 -340.144 66.9503 23.6288 -83.6896 -288.265 PRESSAVG: 428000 -18.8606 18.8563 54.9607 18.8562 3.99404 -7.87065 54.9607 -7.87068 7.00415 GPRESSAVG: 428000 -18.7401 20.3926 54.2537 18.0682 4.54671 -8.98959 52.0485 -7.06237 6.7305 TIMING: 428000 CPU: 1347.9, 0.00315121/step Wall: 1347.9, 0.00315121/step, 4.00204 hours remaining, 233.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 428000 3970.7621 20689.8135 14453.1339 254.4385 -203608.1702 2608.4211 0.0000 0.0000 52365.4376 -109266.1634 300.9449 -161631.6010 -108906.1025 300.0969 -263.3938 -236.6454 762196.0081 -2.6208 -2.4876 PRESSURE: 428200 -362.607 -166.332 165.988 -166.333 72.7402 108.122 165.988 108.124 -550.276 GPRESSURE: 428200 -343.402 -128.502 166.626 -29.1675 49.7496 141.891 68.6422 55.0517 -475.732 PRESSAVG: 428200 -46.5488 21.8638 -5.01852 21.8639 32.4154 14.2613 -5.0186 14.2613 8.01387 GPRESSAVG: 428200 -46.1237 18.6301 -5.02646 24.5594 32.1774 14.6913 -4.10411 15.6069 7.99276 TIMING: 428200 CPU: 1348.54, 0.0031674/step Wall: 1348.54, 0.0031674/step, 4.02243 hours remaining, 233.398438 MB of memory in use. ENERGY: 428200 4041.7224 20821.9349 14422.7693 254.3645 -203452.5451 2453.7132 0.0000 0.0000 52228.0772 -109229.9635 300.1555 -161458.0407 -108868.2971 300.3836 -280.0477 -256.4615 762549.6311 -2.0398 -1.9845 LDB: ============= START OF LOAD BALANCING ============== 1360.93 LDB: ============== END OF LOAD BALANCING =============== 1360.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1360.93 LDB: ============= START OF LOAD BALANCING ============== 1361.24 LDB: Largest compute 7048 load 0.032215 is 16.5% of average load 0.195686 LDB: Average compute 0.004401 is 2.2% of average load 0.195686 LDB: TIME 1361.25 LOAD: AVG 0.195686 MAX 0.215295 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.723 MB LDB: TIME 1361.25 LOAD: AVG 0.195686 MAX 0.215295 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.926 MB LDB: TIME 1361.25 LOAD: AVG 0.195686 MAX 0.215295 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1361.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1361.26 PRESSURE: 428400 32.4106 -14.1151 119.067 -14.115 -352.804 -104.194 119.067 -104.194 -339.417 GPRESSURE: 428400 55.2755 29.4727 193.09 -23.5866 -276.698 -0.222872 -20.4933 -180.072 -364.485 PRESSAVG: 428400 -39.6669 -9.84278 96.6946 -9.84283 104.985 -16.629 96.6946 -16.6291 18.5716 GPRESSAVG: 428400 -41.2685 -7.38571 96.1879 -10.1833 106.269 -16.5149 95.4497 -16.5278 18.5939 TIMING: 428400 CPU: 1349.17, 0.00318608/step Wall: 1349.17, 0.00318608/step, 4.04597 hours remaining, 232.937500 MB of memory in use. ENERGY: 428400 4019.2094 20769.7620 14367.5846 271.2537 -203235.2029 2340.9114 0.0000 0.0000 51949.1884 -109517.2935 298.5527 -161466.4819 -109160.7175 299.9188 -219.9369 -195.3026 761421.6104 27.9632 27.8648 PRESSURE: 428600 -300.245 -282.984 -148.215 -282.984 107.14 183.676 -148.216 183.677 -179.713 GPRESSURE: 428600 -234.084 -185.054 -90.6118 -255.27 116.698 207.312 -179.386 233.673 -166.861 PRESSAVG: 428600 -46.6174 -26.6226 68.6723 -26.6226 -5.74444 -14.9788 68.6724 -14.9786 -4.57271 GPRESSAVG: 428600 -44.7743 -26.7703 68.4335 -26.7032 -7.20343 -15.0961 70.5442 -15.7763 -5.61258 TIMING: 428600 CPU: 1349.8, 0.00315236/step Wall: 1349.8, 0.00315236/step, 4.00297 hours remaining, 233.199219 MB of memory in use. ENERGY: 428600 4001.3211 20539.5431 14423.3393 258.7369 -202910.4079 2116.0593 0.0000 0.0000 52232.0259 -109339.3822 300.1782 -161571.4081 -108972.3129 299.5732 -124.2727 -94.7494 760091.1938 -18.9782 -19.1968 PRESSURE: 428800 -54.8784 85.7565 -14.5417 85.757 -145.364 60.3387 -14.5415 60.3382 -68.7996 GPRESSURE: 428800 -149.511 -90.0722 69.5503 116.612 5.72046 47.0238 17.3785 22.9001 -34.3173 PRESSAVG: 428800 -34.3783 -24.3612 17.4861 -24.3613 49.1955 60.1156 17.4861 60.1157 -4.19297 GPRESSAVG: 428800 -34.8964 -25.2272 17.3091 -22.8979 49.5864 60.4691 17.3518 57.9895 -3.79567 TIMING: 428800 CPU: 1350.43, 0.00314005/step Wall: 1350.43, 0.00314005/step, 3.98717 hours remaining, 233.199219 MB of memory in use. ENERGY: 428800 3960.4667 20611.9109 14423.0184 250.8741 -203263.9069 2507.8424 0.0000 0.0000 52161.8098 -109347.9846 299.7746 -161509.7944 -108987.7150 299.7148 -89.6806 -59.3694 761186.7065 3.5414 3.6314 PRESSURE: 429000 341.517 -103.554 103.184 -103.554 -422.931 79.2337 103.184 79.234 210.332 GPRESSURE: 429000 289.162 -52.2477 103.588 -109.668 -288.402 41.051 90.9504 96.6755 228.021 PRESSAVG: 429000 -41.0595 -66.576 48.3179 -66.576 16.9971 6.40637 48.3179 6.40631 19.4322 GPRESSAVG: 429000 -41.9487 -66.2132 47.0641 -68.4137 17.6052 5.47101 51.3356 10.7445 19.8563 TIMING: 429000 CPU: 1351.06, 0.00314673/step Wall: 1351.06, 0.00314673/step, 3.99547 hours remaining, 233.222656 MB of memory in use. ENERGY: 429000 3948.2211 20703.1837 14441.5106 254.3325 -203191.2079 2525.3446 0.0000 0.0000 52026.2033 -109292.4121 298.9953 -161318.6154 -108926.5627 300.0640 42.9728 76.2607 761041.4189 -1.5434 -1.4957 PRESSURE: 429200 -427.415 -44.1729 165.877 -44.1734 -288.004 -171.792 165.877 -171.791 4.27285 GPRESSURE: 429200 -383.31 -11.788 147.231 -67.0772 -284.952 -169.286 49.0671 -215.93 12.405 PRESSAVG: 429200 -29.1288 -37.3934 74.251 -37.3933 44.4188 5.08357 74.251 5.08361 21.5469 GPRESSAVG: 429200 -29.6917 -36.9574 73.894 -37.7159 45.4029 7.42283 72.3263 0.186163 21.2409 TIMING: 429200 CPU: 1351.69, 0.00313735/step Wall: 1351.69, 0.00313735/step, 3.98339 hours remaining, 233.222656 MB of memory in use. ENERGY: 429200 3932.4798 20652.8910 14437.1339 257.3029 -203266.4692 2348.2920 0.0000 0.0000 52255.6846 -109382.6850 300.3141 -161638.3696 -109021.0639 299.4853 -237.0487 -218.6189 760308.8782 12.2790 12.3174 PRESSURE: 429400 49.0173 -84.3027 9.86287 -84.3024 121.246 -64.2136 9.86368 -64.2125 22.5066 GPRESSURE: 429400 81.4744 -79.1997 -16.6637 3.21526 136.593 -103.929 48.3628 -116.782 81.7801 PRESSAVG: 429400 -106.367 -17.9088 14.5856 -17.9088 140.11 -29.7346 14.5856 -29.7346 -33.4998 GPRESSAVG: 429400 -105.58 -18.1639 15.3282 -18.0307 138.404 -31.5005 14.0027 -28.8056 -32.2656 TIMING: 429400 CPU: 1352.32, 0.00314342/step Wall: 1352.32, 0.00314342/step, 3.99093 hours remaining, 233.222656 MB of memory in use. ENERGY: 429400 3944.6328 20429.7885 14540.7935 261.7612 -203059.5727 2154.1864 0.0000 0.0000 52279.9573 -109448.4530 300.4536 -161728.4103 -109080.2738 299.7001 64.2568 99.9493 760115.6824 0.0810 0.1861 PRESSURE: 429600 220.815 116.117 -212.623 116.118 -378.291 -35.3159 -212.623 -35.3166 58.3702 GPRESSURE: 429600 204.769 -71.0596 -141.058 66.3959 -266.9 -8.58926 -153.148 66.0457 75.5252 PRESSAVG: 429600 -31.3771 -23.7977 -25.3147 -23.7977 97.2499 32.4904 -25.3147 32.4904 16.0533 GPRESSAVG: 429600 -31.695 -24.3657 -23.5508 -24.0595 99.3316 31.5564 -24.8817 33.2734 14.5439 TIMING: 429600 CPU: 1352.94, 0.00313267/step Wall: 1352.94, 0.00313267/step, 3.9771 hours remaining, 233.289062 MB of memory in use. ENERGY: 429600 3995.9704 20530.2555 14430.5786 248.7481 -202987.7827 2351.1881 0.0000 0.0000 52109.1336 -109321.9083 299.4719 -161431.0420 -108957.0381 300.1682 -33.0350 4.4650 760214.3356 27.3087 27.3935 PRESSURE: 429800 -74.9811 60.907 -70.5746 60.907 -78.5609 142.219 -70.5752 142.219 -13.7205 GPRESSURE: 429800 -68.4212 77.7993 10.8028 73.3601 -35.0372 125.945 38.4821 111.937 13.7803 PRESSAVG: 429800 -35.7603 -5.76572 10.5379 -5.76573 32.6435 65.5033 10.538 65.5033 16.9556 GPRESSAVG: 429800 -36.0366 -4.65701 10.4374 -4.748 33.2634 63.8902 11.8553 67.0352 16.6814 TIMING: 429800 CPU: 1353.57, 0.00314654/step Wall: 1353.57, 0.00314654/step, 3.99453 hours remaining, 233.289062 MB of memory in use. ENERGY: 429800 3988.4270 20643.9169 14461.8997 252.0763 -202928.9365 2248.7538 0.0000 0.0000 52150.8155 -109183.0474 299.7115 -161333.8629 -108826.6996 299.6969 -55.7542 -29.8927 761324.5061 4.6129 4.6361 PRESSURE: 430000 -52.0505 -87.4448 17.1583 -87.4453 -177.24 207.566 17.1577 207.567 153.492 GPRESSURE: 430000 -85.4079 -161.359 -84.0131 -7.96959 -40.4182 174.219 33.9087 227.731 136.561 PRESSAVG: 430000 -0.381379 0.797849 6.99011 0.797911 12.1903 36.5005 6.99015 36.5004 -11.7509 GPRESSAVG: 430000 0.828364 -2.19276 7.52645 -0.630001 11.0928 38.4468 5.60885 35.4776 -12.0374 TIMING: 430000 CPU: 1354.2, 0.00315208/step Wall: 1354.2, 0.00315208/step, 4.00139 hours remaining, 233.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 430000 3936.2485 20554.1029 14491.9155 257.7230 -202642.7609 1884.0260 0.0000 0.0000 52314.6337 -109204.1114 300.6529 -161518.7450 -108846.0164 300.5070 -25.2662 3.5781 759358.9090 0.0193 -0.0387 PRESSURE: 430200 -198.03 -178.413 223.484 -178.413 -155.843 -134.228 223.483 -134.228 -123.638 GPRESSURE: 430200 -133.942 -131.314 150.529 6.90848 -151.636 -136.326 166.31 -205.179 -98.9252 PRESSAVG: 430200 -10.5339 0.0580995 28.9552 0.0581118 37.876 26.2094 28.9552 26.2094 -5.45357 GPRESSAVG: 430200 -11.386 1.62934 27.3253 3.05021 38.4161 26.9314 30.1446 25.8559 -5.40959 TIMING: 430200 CPU: 1354.83, 0.00314312/step Wall: 1354.83, 0.00314312/step, 3.98985 hours remaining, 233.289062 MB of memory in use. ENERGY: 430200 3987.0537 20489.1752 14504.4356 266.6372 -202970.2539 2162.2264 0.0000 0.0000 52331.3482 -109229.3777 300.7490 -161560.7259 -108872.1402 300.7893 -159.1702 -128.1675 760487.8979 7.2962 7.2068 PRESSURE: 430400 -23.3445 -50.2188 99.1134 -50.2186 110.107 34.6957 99.1135 34.6944 245.824 GPRESSURE: 430400 -24.103 -57.1801 50.3769 -94.3577 140.843 79.7175 135.226 60.869 322.222 PRESSAVG: 430400 -2.71547 -15.9141 49.4403 -15.9141 8.79305 32.0445 49.4403 32.0447 -5.81043 GPRESSAVG: 430400 -3.42389 -15.5628 51.4308 -17.8322 7.45725 30.6692 48.187 33.611 -3.61357 TIMING: 430400 CPU: 1355.46, 0.00314116/step Wall: 1355.46, 0.00314116/step, 3.98718 hours remaining, 233.289062 MB of memory in use. ENERGY: 430400 4012.1019 20538.7287 14456.3615 239.6497 -203618.3388 2747.8795 0.0000 0.0000 52451.9559 -109171.6617 301.4421 -161623.6176 -108806.8586 300.7746 110.8621 146.3205 760457.4275 0.0891 0.1399 PRESSURE: 430600 308.061 -155.007 124.885 -155.007 -204.585 -26.2771 124.886 -26.276 275.94 GPRESSURE: 430600 321.427 -235.395 110.18 54.2672 -119.341 112.535 147.825 19.8804 260.634 PRESSAVG: 430600 12.0504 12.9858 47.4584 12.9858 -0.432598 -1.60955 47.4584 -1.60949 -0.714778 GPRESSAVG: 430600 12.7477 12.6194 46.7172 13.1972 0.342379 -2.53451 45.5843 -2.4924 -2.29134 TIMING: 430600 CPU: 1356.09, 0.00314623/step Wall: 1356.09, 0.00314623/step, 3.99344 hours remaining, 233.289062 MB of memory in use. ENERGY: 430600 3948.5653 20648.6213 14473.1270 242.2585 -203478.6860 2474.4296 0.0000 0.0000 52487.3866 -109204.2978 301.6457 -161691.6844 -108838.6364 301.0376 126.4720 154.2399 758124.3521 3.6343 3.5996 PRESSURE: 430800 -128.832 -77.4178 -145.295 -77.4178 281.786 158.132 -145.295 158.131 260.415 GPRESSURE: 430800 -83.3593 -110.84 -97.4043 24.5345 332.821 146.956 -176.982 -103.159 223.92 PRESSAVG: 430800 -7.94133 -48.5689 -19.5288 -48.5688 -41.5052 -27.6236 -19.5288 -27.6235 -5.1627 GPRESSAVG: 430800 -7.27711 -47.9934 -19.9074 -47.2915 -43.0009 -27.2994 -19.2016 -30.0618 -4.53623 TIMING: 430800 CPU: 1356.72, 0.00313943/step Wall: 1356.72, 0.00313943/step, 3.98463 hours remaining, 233.289062 MB of memory in use. ENERGY: 430800 3983.7611 20606.0357 14473.5841 253.1829 -203203.2333 2322.6347 0.0000 0.0000 52462.7934 -109101.2415 301.5044 -161564.0348 -108733.2878 300.5621 137.7895 157.7940 760058.7083 -18.2031 -18.2714 PRESSURE: 431000 216.956 126.963 83.9596 126.964 117.973 -113.924 83.96 -113.924 -48.5134 GPRESSURE: 431000 202.703 107.214 106.76 109.624 189.173 -14.8337 46.057 -120.528 -16.3701 PRESSAVG: 431000 24.88 -68.3512 54.9111 -68.3511 16.6701 7.24762 54.9111 7.24762 17.3452 GPRESSAVG: 431000 23.403 -68.5147 52.0734 -68.6305 17.7523 7.85955 59.297 9.08324 17.4235 TIMING: 431000 CPU: 1357.35, 0.0031503/step Wall: 1357.35, 0.0031503/step, 3.99825 hours remaining, 233.289062 MB of memory in use. ENERGY: 431000 3956.1767 20776.9610 14495.8693 248.0046 -203284.6081 2500.9707 0.0000 0.0000 52317.5769 -108989.0490 300.6698 -161306.6259 -108621.5433 300.7957 95.4716 125.1687 759467.6049 19.6318 19.5263 PRESSURE: 431200 -141.715 -122.079 -17.2169 -122.078 -176.891 -41.1227 -17.217 -41.1222 175.557 GPRESSURE: 431200 -96.7312 -77.0614 -19.7572 0.339367 -53.2962 6.87682 36.3732 37.6259 109.773 PRESSAVG: 431200 4.63894 -8.80478 6.89296 -8.80472 -26.0271 4.337 6.89288 4.33709 4.1123 GPRESSAVG: 431200 5.59347 -8.9553 10.584 -7.91446 -26.0005 3.80922 3.2329 3.3992 3.02333 TIMING: 431200 CPU: 1357.97, 0.00313722/step Wall: 1357.97, 0.00313722/step, 3.98148 hours remaining, 233.289062 MB of memory in use. ENERGY: 431200 3920.8592 20552.5705 14443.9155 273.0334 -203016.4149 2344.9670 0.0000 0.0000 52213.7635 -109267.3057 300.0732 -161481.0693 -108890.6702 300.7399 -47.6830 -13.4181 761737.3479 -5.7586 -5.7946 PRESSURE: 431400 -154.6 0.742447 45.2142 0.741793 113.2 -166.279 45.2127 -166.28 -442.805 GPRESSURE: 431400 -76.2756 33.2688 45.1004 -25.1734 157.822 -183.309 -39.809 -277.152 -468.808 PRESSAVG: 431400 -22.2022 -23.817 -11.2729 -23.8171 11.1055 -51.7808 -11.2729 -51.7808 37.7959 GPRESSAVG: 431400 -21.6301 -22.6353 -13.4553 -24.2749 9.93868 -51.3408 -10.0181 -52.3452 38.6453 TIMING: 431400 CPU: 1358.6, 0.00314462/step Wall: 1358.6, 0.00314462/step, 3.99069 hours remaining, 233.289062 MB of memory in use. ENERGY: 431400 4031.6414 20546.9707 14430.6197 262.6834 -203045.7062 2273.1906 0.0000 0.0000 52034.1126 -109466.4877 299.0408 -161500.6003 -109099.8266 299.5274 -161.4012 -129.0870 758969.3204 8.8998 8.9846 PRESSURE: 431600 -68.5734 16.5884 -128.748 16.5888 83.0838 155.054 -128.748 155.055 -303.221 GPRESSURE: 431600 74.8885 -97.211 -108.988 -21.579 55.0415 181.365 -130.279 192.81 -336.95 PRESSAVG: 431600 8.95966 -3.04857 -10.2908 -3.04859 9.67203 -64.6641 -10.2908 -64.6641 -32.1699 GPRESSAVG: 431600 9.0608 -5.8947 -10.6162 -4.11203 10.4968 -66.0342 -8.76732 -64.6633 -33.0291 TIMING: 431600 CPU: 1359.23, 0.003142/step Wall: 1359.23, 0.003142/step, 3.9872 hours remaining, 233.289062 MB of memory in use. ENERGY: 431600 4048.1106 20581.3978 14455.1767 257.1435 -203145.7058 2415.7668 0.0000 0.0000 52184.1269 -109203.9835 299.9029 -161388.1104 -108845.8792 300.3982 -96.2367 -69.0067 759291.2602 -4.5127 -4.4905 PRESSURE: 431800 243.549 -117.576 -11.7351 -117.578 -53.7633 -213.075 -11.736 -213.074 -228.147 GPRESSURE: 431800 233.523 -133.438 0.389176 -112.887 -44.9162 -210.556 -81.5988 -59.4305 -119.107 PRESSAVG: 431800 -43.5507 -12.0903 32.5903 -12.0903 24.8905 7.96013 32.5902 7.96014 -13.6085 GPRESSAVG: 431800 -44.4325 -10.9002 32.6457 -11.8886 25.1921 8.95728 30.6824 9.53638 -13.3143 TIMING: 431800 CPU: 1359.86, 0.00313816/step Wall: 1359.86, 0.00313816/step, 3.98215 hours remaining, 233.289062 MB of memory in use. ENERGY: 431800 3979.4791 20708.6344 14446.1338 247.1161 -202893.4351 2034.5565 0.0000 0.0000 52318.1911 -109159.3242 300.6734 -161477.5152 -108789.7494 300.7475 -12.7871 23.1666 759626.2009 -10.7563 -10.8516 PRESSURE: 432000 152.647 -183.978 71.0489 -183.977 366.938 4.48428 71.0496 4.48475 228.26 GPRESSURE: 432000 279.649 -100.689 -15.0145 -149.269 377.07 36.713 50.4393 -49.2735 175.344 PRESSAVG: 432000 -1.5717 -38.4098 15.3832 -38.4099 27.447 2.96517 15.3832 2.96517 -15.7734 GPRESSAVG: 432000 -1.09151 -39.1921 16.0674 -36.4896 26.9832 2.12591 17.3805 2.12928 -14.7528 TIMING: 432000 CPU: 1360.49, 0.00314643/step Wall: 1360.49, 0.00314643/step, 3.99247 hours remaining, 233.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 432000 3929.2458 20722.4939 14482.1747 245.6121 -203439.7111 2507.2455 0.0000 0.0000 52527.4285 -109025.5106 301.8759 -161552.9391 -108662.0816 300.9209 249.2814 277.3543 758679.9630 3.3673 3.7130 PRESSURE: 432200 21.7532 -199.83 -34.8284 -199.829 -104.001 -8.47077 -34.8283 -8.47068 322.685 GPRESSURE: 432200 69.8392 -150.424 21.7839 -220.969 -74.7708 -49.9605 -36.0833 -9.79503 307.313 PRESSAVG: 432200 -69.7394 -16.5297 -34.8407 -16.5297 37.3061 -28.2148 -34.8406 -28.2148 12.0381 GPRESSAVG: 432200 -69.307 -16.935 -35.7544 -16.6405 37.4054 -27.1396 -36.1019 -28.1184 11.3731 TIMING: 432200 CPU: 1361.12, 0.0031631/step Wall: 1361.12, 0.0031631/step, 4.01344 hours remaining, 233.289062 MB of memory in use. ENERGY: 432200 4048.7136 20653.0890 14448.8495 231.8604 -203664.7664 2692.8800 0.0000 0.0000 52315.9321 -109273.4418 300.6604 -161589.3739 -108917.9483 301.0279 80.1457 100.7938 759630.4624 -6.7984 -6.8428 LDB: ============= START OF LOAD BALANCING ============== 1373.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1373.52 LDB: =============== DONE WITH MIGRATION ================ 1373.52 LDB: ============= START OF LOAD BALANCING ============== 1373.84 LDB: Largest compute 7070 load 0.032664 is 16.7% of average load 0.195564 LDB: Average compute 0.004388 is 2.2% of average load 0.195564 LDB: TIME 1373.84 LOAD: AVG 0.195564 MAX 0.217155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.195 MB LDB: TIME 1373.84 LOAD: AVG 0.195564 MAX 0.217155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.258 MB LDB: TIME 1373.84 LOAD: AVG 0.195564 MAX 0.217155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.258 MB LDB: ============== END OF LOAD BALANCING =============== 1373.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1373.85 PRESSURE: 432400 15.2802 1.24565 147.636 1.24579 -157.224 73.4961 147.636 73.4965 -423.85 GPRESSURE: 432400 -32.7796 24.8454 152.756 -88.0304 -40.9989 79.1681 126.834 39.7649 -394.871 PRESSAVG: 432400 20.6553 -15.1906 48.6118 -15.1907 -34.2743 -26.0316 48.6118 -26.0316 -6.03545 GPRESSAVG: 432400 19.3517 -12.0011 50.779 -15.5094 -33.2227 -25.565 48.3926 -26.5586 -5.06787 TIMING: 432400 CPU: 1361.76, 0.0032167/step Wall: 1361.76, 0.0032167/step, 4.08128 hours remaining, 232.683594 MB of memory in use. ENERGY: 432400 4068.2418 20631.6530 14418.3847 242.2859 -202897.0092 2239.3615 0.0000 0.0000 52116.8626 -109180.2198 299.5163 -161297.0824 -108816.4923 300.1696 -188.5977 -156.2165 761701.3605 -6.5515 -6.3129 PRESSURE: 432600 -249.939 -166.404 108.753 -166.404 -38.5497 -53.1974 108.752 -53.1974 122.951 GPRESSURE: 432600 -180.537 -12.1158 7.21472 -162.138 -42.3051 -187.461 209.331 -31.218 135.862 PRESSAVG: 432600 38.1121 -30.1853 -9.90156 -30.1853 -6.04863 -9.9443 -9.90157 -9.94422 -9.34699 GPRESSAVG: 432600 38.5415 -30.2811 -10.8906 -31.5811 -7.64695 -9.15751 -8.70747 -8.48509 -8.80589 TIMING: 432600 CPU: 1362.4, 0.00315704/step Wall: 1362.4, 0.00315704/step, 4.00541 hours remaining, 232.722656 MB of memory in use. ENERGY: 432600 4016.1282 20690.4570 14478.2347 252.1406 -203363.2264 2386.5044 0.0000 0.0000 52326.8081 -109212.9532 300.7229 -161539.7614 -108843.2908 300.4664 -55.1793 -28.9933 759385.6613 7.5722 7.3629 PRESSURE: 432800 -72.327 -34.0637 22.947 -34.0634 -334.012 89.0228 22.9477 89.0218 611.784 GPRESSURE: 432800 9.18626 -62.951 45.7224 23.9495 -224.961 116.292 38.7468 -76.278 519.212 PRESSAVG: 432800 -6.78006 -37.8691 -16.3058 -37.869 46.1166 2.10995 -16.3058 2.10993 5.92481 GPRESSAVG: 432800 -5.40836 -37.8751 -16.7342 -37.6342 46.3637 0.698878 -17.4275 1.65501 3.98834 TIMING: 432800 CPU: 1363.03, 0.00315476/step Wall: 1363.03, 0.00315476/step, 4.00234 hours remaining, 232.710938 MB of memory in use. ENERGY: 432800 4019.5374 20437.4424 14463.4965 252.7121 -202875.0671 2316.5148 0.0000 0.0000 52323.1044 -109062.2594 300.7016 -161385.3639 -108693.6258 300.1612 68.4818 101.1460 761271.7901 15.0871 14.9812 PRESSURE: 433000 -230.179 124.026 -240.095 124.026 -248.992 64.696 -240.095 64.6947 -255 GPRESSURE: 433000 -240.444 19.1192 -239.657 -8.99071 -167.871 119.972 -303.419 -22.1282 -232.164 PRESSAVG: 433000 11.8658 -41.6161 -64.1126 -41.6161 -27.9507 18.3407 -64.1126 18.3407 -5.50677 GPRESSAVG: 433000 10.6071 -41.0367 -63.3466 -42.1018 -27.2661 18.2835 -64.4404 17.3121 -5.19325 TIMING: 433000 CPU: 1363.66, 0.0031418/step Wall: 1363.66, 0.0031418/step, 3.98572 hours remaining, 232.722656 MB of memory in use. ENERGY: 433000 4095.0082 20701.5682 14472.8829 260.9934 -202932.4282 2176.8317 0.0000 0.0000 52283.5440 -108941.5998 300.4742 -161225.1438 -108595.8288 301.2346 -244.7238 -213.4930 760602.5697 -7.1972 -7.2841 PRESSURE: 433200 -243.903 9.69854 104.429 9.6985 108.84 -28.2455 104.429 -28.2455 -514.871 GPRESSURE: 433200 -215.274 97.7215 116.927 -175.464 76.1006 -62.5322 88.2433 -36.4149 -437.981 PRESSAVG: 433200 -23.4414 -62.7469 52.1842 -62.747 51.8128 -25.9353 52.1842 -25.9353 -16.4919 GPRESSAVG: 433200 -23.2791 -63.8761 51.5523 -64.6228 51.6876 -23.3563 52.6838 -25.9291 -17.1222 TIMING: 433200 CPU: 1364.28, 0.00312937/step Wall: 1364.28, 0.00312937/step, 3.96978 hours remaining, 232.722656 MB of memory in use. ENERGY: 433200 3988.5159 20646.5917 14482.9380 258.4596 -203072.8900 2153.2009 0.0000 0.0000 52451.5464 -109091.6376 301.4398 -161543.1839 -108725.6784 300.6917 -216.6447 -192.3848 759311.2096 3.9598 3.7621 PRESSURE: 433400 -323.218 -44.1956 -120.079 -44.1963 -287.977 -42.5954 -120.08 -42.5947 -346.675 GPRESSURE: 433400 -325.011 8.96185 -191.829 -109.564 -228.16 -62.242 -59.1951 12.9811 -331.729 PRESSAVG: 433400 22.6343 4.1547 22.3585 4.15471 -18.0244 -4.29447 22.3584 -4.29462 -11.7255 GPRESSAVG: 433400 22.97 4.88134 22.6513 6.54458 -18.1377 -6.30583 23.2834 -3.16413 -12.3714 TIMING: 433400 CPU: 1364.91, 0.00312686/step Wall: 1364.91, 0.00312686/step, 3.96642 hours remaining, 232.722656 MB of memory in use. ENERGY: 433400 4051.3209 20686.2078 14415.1918 265.5587 -203246.7812 2394.6269 0.0000 0.0000 52258.8720 -109175.0031 300.3325 -161433.8751 -108793.9580 300.3939 -319.2900 -294.9666 760572.5578 -2.3719 -2.5130 PRESSURE: 433600 -101.661 -88.5504 111.529 -88.5515 271.964 223.155 111.53 223.155 232.412 GPRESSURE: 433600 -55.0086 44.1437 191.483 -103.792 292.761 243.426 16.0072 123.953 266.319 PRESSAVG: 433600 -17.0098 -30.5279 -5.49907 -30.5279 37.4737 -34.5216 -5.49904 -34.5216 -7.44844 GPRESSAVG: 433600 -16.9559 -31.1334 -5.81895 -30.3942 37.1737 -32.744 -6.35882 -34.3857 -6.16867 TIMING: 433600 CPU: 1365.53, 0.00312739/step Wall: 1365.53, 0.00312739/step, 3.96692 hours remaining, 232.722656 MB of memory in use. ENERGY: 433600 4007.8025 20531.3237 14388.5142 254.0833 -203063.4303 2446.3776 0.0000 0.0000 52273.8600 -109161.4690 300.4186 -161435.3290 -108796.5785 300.3229 134.2381 168.0240 758250.8854 4.3385 4.6830 PRESSURE: 433800 -28.7586 -162.86 106.027 -162.86 -188.671 -90.6207 106.027 -90.6228 397.171 GPRESSURE: 433800 15.9662 -39.4524 177.195 -96.2505 -85.7665 -166.39 104.27 -157.076 334.322 PRESSAVG: 433800 -66.3593 -64.9715 40.6035 -64.9715 -4.15496 7.70417 40.6034 7.70408 38.8381 GPRESSAVG: 433800 -66.2183 -64.117 42.2983 -62.8059 -2.56113 5.4297 40.2924 7.08555 37.0445 TIMING: 433800 CPU: 1366.16, 0.00311983/step Wall: 1366.16, 0.00311983/step, 3.95716 hours remaining, 232.722656 MB of memory in use. ENERGY: 433800 3931.7259 20661.8901 14439.8249 245.7103 -203328.7674 2305.0785 0.0000 0.0000 52571.4991 -109173.0386 302.1291 -161744.5377 -108805.2598 300.5579 59.9136 88.1739 759982.9081 -10.5587 -10.5783 PRESSURE: 434000 -180.643 -24.1055 -216.921 -24.1067 205.514 -102.836 -216.921 -102.835 -360.121 GPRESSURE: 434000 -61.888 16.653 -233.765 62.656 147.428 -27.4178 -265.092 -221.071 -341.21 PRESSAVG: 434000 -7.72918 -46.435 -37.6732 -46.435 37.3809 -26.5361 -37.6732 -26.5362 -1.42647 GPRESSAVG: 434000 -7.94499 -46.3128 -40.2462 -48.5792 34.9999 -25.3182 -35.7294 -26.0048 0.812024 TIMING: 434000 CPU: 1366.78, 0.00312367/step Wall: 1366.78, 0.00312367/step, 3.96186 hours remaining, 232.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 434000 3972.6130 20514.5585 14462.3098 233.2629 -202607.3057 1892.6248 0.0000 0.0000 52381.6517 -109150.2849 301.0381 -161531.9366 -108770.9450 300.4052 -111.7500 -85.2232 761562.0960 9.4084 9.2890 PRESSURE: 434200 -32.6739 145.594 13.5788 145.593 -23.6566 -182.506 13.5795 -182.506 -252.357 GPRESSURE: 434200 -16.4997 136.455 -74.0747 38.0599 -36.9675 -249.294 -96.9111 -232.981 -145.987 PRESSAVG: 434200 -12.5618 -31.8816 -53.8967 -31.8816 24.1016 -36.0609 -53.8966 -36.0609 3.43332 GPRESSAVG: 434200 -12.2003 -32.8861 -53.4401 -32.0249 23.7449 -38.5126 -55.1661 -35.7152 3.49234 TIMING: 434200 CPU: 1367.41, 0.00313945/step Wall: 1367.41, 0.00313945/step, 3.98169 hours remaining, 232.722656 MB of memory in use. ENERGY: 434200 3988.3967 20426.4114 14429.0220 266.9156 -202815.5094 2240.3628 0.0000 0.0000 52429.7256 -109034.6753 301.3144 -161464.4009 -108666.5797 300.4464 -102.8958 -66.4846 760835.4119 4.9910 5.0123 PRESSURE: 434400 50.2012 117.242 131.483 117.242 127.262 116.287 131.484 116.288 400.904 GPRESSURE: 434400 97.7409 30.5077 136.328 43.4912 200.364 -41.3012 235.817 114.597 366.183 PRESSAVG: 434400 -42.9008 -19.7246 -6.09955 -19.7245 10.2926 27.1034 -6.09962 27.1034 -26.165 GPRESSAVG: 434400 -43.9234 -20.3216 -4.37087 -19.3133 12.7847 29.6499 -6.53692 23.2011 -28.0522 TIMING: 434400 CPU: 1368.04, 0.00314009/step Wall: 1368.04, 0.00314009/step, 3.98234 hours remaining, 232.722656 MB of memory in use. ENERGY: 434400 3947.7908 20620.9778 14366.8592 252.7947 -203300.8566 2503.1715 0.0000 0.0000 52399.4980 -109209.7646 301.1406 -161609.2626 -108843.6650 300.4958 192.7891 221.4293 759655.2666 -19.5911 -19.7303 PRESSURE: 434600 -199.682 -74.3192 -149.413 -74.3197 -32.2587 152.097 -149.413 152.097 202.172 GPRESSURE: 434600 -123.141 14.072 -269.005 12.4171 -78.1481 133.257 -189.32 186.526 235.578 PRESSAVG: 434600 -31.021 -13.1577 -19.4033 -13.1577 -4.60174 -5.45485 -19.4033 -5.45482 -7.07654 GPRESSAVG: 434600 -30.6809 -11.8789 -20.4624 -12.2127 -5.29219 -5.37355 -19.4623 -0.22492 -6.26066 TIMING: 434600 CPU: 1368.66, 0.00313764/step Wall: 1368.66, 0.00313764/step, 3.97904 hours remaining, 232.722656 MB of memory in use. ENERGY: 434600 3952.2661 20586.7078 14405.9035 246.7397 -203149.6289 2433.7574 0.0000 0.0000 52191.1351 -109333.1192 299.9432 -161524.2543 -108968.2631 300.4147 -9.9228 11.4297 761556.5796 -14.2331 -14.0779 PRESSURE: 434800 189.185 53.2838 303.943 53.285 116.36 -68.1953 303.943 -68.1955 173.426 GPRESSURE: 434800 218.248 -72.3764 191.238 9.40258 169.414 6.75892 265.039 -213.543 186.955 PRESSAVG: 434800 -16.5559 -44.0909 -21.5241 -44.0909 -18.7007 -50.0481 -21.5242 -50.048 1.68137 GPRESSAVG: 434800 -16.0162 -46.6358 -21.3716 -43.8841 -18.0803 -50.5327 -23.4366 -53.2407 0.9662 TIMING: 434800 CPU: 1369.29, 0.00313369/step Wall: 1369.29, 0.00313369/step, 3.97386 hours remaining, 232.710938 MB of memory in use. ENERGY: 434800 3987.8648 20614.3678 14401.5096 227.0890 -203332.0067 2619.9308 0.0000 0.0000 52256.3566 -109224.8881 300.3180 -161481.2447 -108865.0562 299.9069 159.6569 191.5390 760138.7492 -11.1918 -11.0434 PRESSURE: 435000 -126.907 -152.164 -14.8019 -152.164 3.33734 -273.739 -14.8013 -273.738 143.893 GPRESSURE: 435000 -107.864 -131.298 -47.8084 -212.902 68.6007 -285.883 -21.1343 -141.317 158.293 PRESSAVG: 435000 2.71834 -18.8663 -2.67213 -18.8663 -10.5337 -2.07796 -2.67208 -2.07789 -6.57027 GPRESSAVG: 435000 3.42443 -16.4309 -2.21881 -20.3609 -10.114 -3.46592 -2.46103 -1.09705 -7.61324 TIMING: 435000 CPU: 1369.92, 0.00312901/step Wall: 1369.92, 0.00312901/step, 3.96776 hours remaining, 232.710938 MB of memory in use. ENERGY: 435000 4019.8854 20488.2890 14369.9988 239.0488 -203259.1280 2701.4171 0.0000 0.0000 52199.5921 -109240.8967 299.9918 -161440.4888 -108872.9804 300.4774 6.7747 39.6765 761767.9557 -4.7952 -4.7676 PRESSURE: 435200 -190.981 85.8712 163.716 85.8703 -509.592 -69.8355 163.717 -69.8367 -261.338 GPRESSURE: 435200 -111.5 233.761 143.925 11.9715 -417.779 -34.1882 114.816 -59.332 -341.154 PRESSAVG: 435200 21.2522 -26.8226 -14.9429 -26.8226 -35.3022 30.0674 -14.943 30.0674 4.11853 GPRESSAVG: 435200 21.4482 -26.4413 -14.8706 -27.1704 -35.4475 31.589 -14.9757 29.9077 3.93865 TIMING: 435200 CPU: 1370.54, 0.00313549/step Wall: 1370.54, 0.00313549/step, 3.9758 hours remaining, 232.722656 MB of memory in use. ENERGY: 435200 4030.3189 20572.0303 14456.1679 234.6522 -203269.3563 2318.4190 0.0000 0.0000 52233.4843 -109424.2836 300.1866 -161657.7679 -109053.8663 299.5898 -320.6369 -290.1445 762263.0212 -3.3105 -3.3536 PRESSURE: 435400 -38.009 20.7246 -135.671 20.7247 115.639 114.387 -135.671 114.387 13.9081 GPRESSURE: 435400 31.2195 -90.6239 -75.2293 70.2647 112.582 21.5478 17.7921 167.553 61.7315 PRESSAVG: 435400 -4.28054 -73.7268 -47.8864 -73.7268 22.9261 -17.6134 -47.8864 -17.6134 2.68149 GPRESSAVG: 435400 -3.32463 -75.6738 -49.127 -70.991 20.6266 -17.0866 -47.6598 -17.7127 3.6336 TIMING: 435400 CPU: 1371.17, 0.00312954/step Wall: 1371.17, 0.00312954/step, 3.96808 hours remaining, 232.722656 MB of memory in use. ENERGY: 435400 4032.5567 20462.5601 14468.5820 268.5570 -203689.1738 2711.2078 0.0000 0.0000 52281.1594 -109464.5508 300.4605 -161745.7102 -109103.8339 300.1591 30.5128 68.5111 761505.9070 7.1090 6.9785 PRESSURE: 435600 191.303 -186.4 213.658 -186.4 -244.989 -53.0067 213.658 -53.0064 42.5542 GPRESSURE: 435600 203.957 -139.122 173.677 -251.389 -147.344 -67.1535 190.442 -56.2444 16.941 PRESSAVG: 435600 7.68323 -69.6711 -25.79 -69.6711 -41.0981 -5.05034 -25.79 -5.05034 -17.4138 GPRESSAVG: 435600 6.38529 -68.236 -24.6056 -71.6676 -39.6509 -5.34593 -26.2267 -4.46481 -16.9568 TIMING: 435600 CPU: 1371.8, 0.00313304/step Wall: 1371.8, 0.00313304/step, 3.97234 hours remaining, 232.722656 MB of memory in use. ENERGY: 435600 3926.9193 20652.4745 14457.7694 256.0091 -203421.7605 2333.9942 0.0000 0.0000 52209.2522 -109585.3418 300.0473 -161794.5940 -109222.2838 299.5920 -3.7105 24.5180 760488.2314 -16.9429 -16.7408 PRESSURE: 435800 59.5116 73.4531 0.953173 73.4541 -272.806 -61.8813 0.953471 -61.8814 248.02 GPRESSURE: 435800 75.6467 27.8972 15.8374 22.3069 -126.179 -132.025 -17.8071 -63.8348 186.676 PRESSAVG: 435800 34.1238 -29.9832 62.7099 -29.9833 -47.6314 -7.39901 62.7099 -7.39909 16.8554 GPRESSAVG: 435800 34.1915 -27.29 62.3669 -31.0543 -48.0253 -9.11366 62.7803 -6.91171 17.7962 TIMING: 435800 CPU: 1372.42, 0.00313955/step Wall: 1372.42, 0.00313955/step, 3.98043 hours remaining, 232.722656 MB of memory in use. ENERGY: 435800 3855.7608 20347.3877 14412.9500 233.3213 -203126.8741 2348.4753 0.0000 0.0000 52246.8351 -109682.1440 300.2633 -161928.9791 -109314.6264 299.1327 11.5751 45.3814 762240.1895 1.1159 1.3208 PRESSURE: 436000 -116.033 -159.741 -12.7619 -159.741 -210.789 -206.619 -12.7627 -206.618 257.485 GPRESSURE: 436000 -110.652 -170.539 -2.40367 -141.177 -215.843 -248.002 55.4082 -172.536 360.142 PRESSAVG: 436000 25.414 -53.9684 47.6263 -53.9684 19.2162 -3.35016 47.6263 -3.35009 -9.04462 GPRESSAVG: 436000 25.4282 -56.0834 47.4612 -53.0752 19.8506 -1.37 48.7975 -4.2877 -9.50466 TIMING: 436000 CPU: 1373.06, 0.00315334/step Wall: 1373.06, 0.00315334/step, 3.99773 hours remaining, 232.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 436000 3911.6998 20670.6975 14442.9986 239.5403 -203299.9243 2420.1993 0.0000 0.0000 51694.2441 -109920.5446 297.0875 -161614.7887 -109562.6596 299.0327 -23.1123 11.2159 761632.3463 11.8619 11.9247 PRESSURE: 436200 74.8693 -135.403 -68.0252 -135.403 355.551 136.66 -68.0258 136.659 194.906 GPRESSURE: 436200 179.465 -85.896 -6.2903 -77.3403 339.549 135.095 25.3987 43.581 191.558 PRESSAVG: 436200 52.3508 -58.8862 12.8183 -58.8862 -14.672 5.31116 12.8183 5.31116 -3.84947 GPRESSAVG: 436200 52.6958 -58.9136 12.4212 -58.5164 -15.3013 4.93557 11.2609 5.20841 -3.70423 TIMING: 436200 CPU: 1373.69, 0.00316401/step Wall: 1373.69, 0.00316401/step, 4.01109 hours remaining, 232.722656 MB of memory in use. ENERGY: 436200 3983.5070 20367.8634 14468.2421 242.4521 -203302.3543 2341.6189 0.0000 0.0000 51990.3204 -109908.3504 298.7891 -161898.6708 -109550.0613 298.4541 208.4422 236.8575 759844.6856 11.2764 11.2301 LDB: ============= START OF LOAD BALANCING ============== 1386.09 LDB: ============== END OF LOAD BALANCING =============== 1386.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1386.09 LDB: ============= START OF LOAD BALANCING ============== 1386.41 LDB: Largest compute 7048 load 0.031581 is 16.1% of average load 0.195612 LDB: Average compute 0.004382 is 2.2% of average load 0.195612 LDB: TIME 1386.41 LOAD: AVG 0.195612 MAX 0.214609 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.578 MB LDB: TIME 1386.41 LOAD: AVG 0.195612 MAX 0.214609 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.578 MB LDB: TIME 1386.41 LOAD: AVG 0.195612 MAX 0.214609 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.578 MB LDB: ============== END OF LOAD BALANCING =============== 1386.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1386.42 PRESSURE: 436400 115.684 -61.8345 -107.582 -61.8332 191.627 -89.2262 -107.582 -89.2255 -157.163 GPRESSURE: 436400 205.811 -60.6966 -74.4565 -69.243 146.169 -40.6664 -89.2924 -39.476 -123.749 PRESSAVG: 436400 97.8475 -75.412 19.7668 -75.4119 -34.5422 0.904122 19.7668 0.904011 1.94181 GPRESSAVG: 436400 98.1248 -73.6147 19.8238 -75.2295 -34.6976 0.248905 22.5995 0.617569 2.37698 TIMING: 436400 CPU: 1374.33, 0.00322514/step Wall: 1374.33, 0.00322514/step, 4.08841 hours remaining, 233.312500 MB of memory in use. ENERGY: 436400 3981.5398 20428.6556 14392.8073 264.9141 -203459.0131 2544.0848 0.0000 0.0000 51954.5631 -109892.4484 298.5836 -161847.0115 -109541.4604 298.4944 50.0494 76.0770 759878.3460 21.7490 21.9347 PRESSURE: 436600 170.057 31.1697 -40.7346 31.1695 13.3228 0.680478 -40.7344 0.680184 167.305 GPRESSURE: 436600 231.701 136.453 -43.3517 -54.85 120.506 54.3117 -30.3719 -43.757 85.023 PRESSAVG: 436600 22.7056 -25.9714 9.74343 -25.9715 -26.3969 25.7291 9.74339 25.7291 19.2113 GPRESSAVG: 436600 23.0948 -28.5255 9.36801 -25.4723 -27.1319 25.9243 8.86044 24.6569 19.485 TIMING: 436600 CPU: 1374.96, 0.00314542/step Wall: 1374.96, 0.00314542/step, 3.98717 hours remaining, 233.378906 MB of memory in use. ENERGY: 436600 3959.2094 20351.5167 14454.1964 251.8679 -203542.8338 2843.1844 0.0000 0.0000 51847.1458 -109835.7131 297.9663 -161682.8588 -109477.3074 298.7904 116.8951 145.7433 760791.8639 5.1733 5.1493 PRESSURE: 436800 102.448 -220.5 95.646 -220.499 -5.78624 -93.1957 95.6459 -93.197 0.94987 GPRESSURE: 436800 130.679 -155.365 9.47147 -165.549 45.6088 -86.035 37.8115 -28.905 29.6795 PRESSAVG: 436800 28.4685 -56.0618 -30.2577 -56.0618 -0.401072 -4.87701 -30.2577 -4.87702 -21.4476 GPRESSAVG: 436800 26.3796 -54.8554 -31.0964 -56.6622 2.02407 -3.58578 -30.2367 -5.8479 -21.5192 TIMING: 436800 CPU: 1375.59, 0.00314221/step Wall: 1375.59, 0.00314221/step, 3.98292 hours remaining, 233.414062 MB of memory in use. ENERGY: 436800 3914.2538 20528.6666 14503.5121 230.9887 -202921.3455 2381.1536 0.0000 0.0000 51598.7373 -109764.0336 296.5387 -161362.7708 -109415.6692 298.6008 32.5371 68.6558 762011.9125 2.2066 2.2948 PRESSURE: 437000 147.915 -140.938 2.97896 -140.938 -16.4623 -274.51 2.97891 -274.511 361.474 GPRESSURE: 437000 161.917 -112.295 71.0432 -23.3697 33.2587 -211.463 -71.1946 -183.414 380.239 PRESSAVG: 437000 23.5358 -84.3456 -27.5898 -84.3457 -10.2558 -9.41895 -27.5898 -9.41893 13.3632 GPRESSAVG: 437000 25.796 -84.3804 -26.3128 -84.2097 -11.7745 -9.44348 -28.4505 -6.59352 12.7186 TIMING: 437000 CPU: 1376.22, 0.00313199/step Wall: 1376.22, 0.00313199/step, 3.96979 hours remaining, 233.414062 MB of memory in use. ENERGY: 437000 3861.4281 20435.5216 14406.4039 238.4431 -203134.8833 2514.8863 0.0000 0.0000 51816.3262 -109861.8741 297.7891 -161678.2003 -109499.1838 298.4676 164.3089 191.8049 761110.7099 8.8811 8.9134 PRESSURE: 437200 93.6012 99.0337 48.9371 99.0336 275.898 -31.4225 48.9375 -31.4226 -335.93 GPRESSURE: 437200 120.22 46.6543 63.1301 169.511 325.472 -1.06212 59.0862 -14.384 -317.791 PRESSAVG: 437200 8.65 -57.2522 -0.121595 -57.2522 -15.1588 -10.5856 -0.121528 -10.5855 2.76242 GPRESSAVG: 437200 7.9511 -58.5903 0.0735518 -57.668 -14.4505 -11.0456 0.689313 -11.0246 2.99162 TIMING: 437200 CPU: 1376.84, 0.00313454/step Wall: 1376.84, 0.00313454/step, 3.97286 hours remaining, 233.414062 MB of memory in use. ENERGY: 437200 3976.7345 20492.9985 14383.1772 227.5225 -203759.4193 2825.5519 0.0000 0.0000 52015.0851 -109838.3495 298.9314 -161853.4346 -109477.8187 298.6193 11.1896 42.6334 758970.9066 -1.2488 -1.1693 PRESSURE: 437400 108.809 -230.086 -44.4512 -230.086 -203.57 -127.805 -44.4511 -127.806 -417.219 GPRESSURE: 437400 94.7905 -188.949 -70.5688 -129.379 -151.732 -127.877 -93.4419 -79.7409 -388.851 PRESSAVG: 437400 16.3721 -76.6214 4.03073 -76.6214 -23.5249 -21.4447 4.03067 -21.4447 -16.9 GPRESSAVG: 437400 15.5121 -75.0239 2.91286 -77.2652 -22.8124 -21.9693 3.65869 -19.8779 -16.477 TIMING: 437400 CPU: 1377.47, 0.00314424/step Wall: 1377.47, 0.00314424/step, 3.98498 hours remaining, 233.414062 MB of memory in use. ENERGY: 437400 3959.8962 20371.6761 14442.7430 242.0236 -203252.5770 2403.5190 0.0000 0.0000 52031.6350 -109801.0842 299.0265 -161832.7192 -109430.4529 298.7173 -170.6601 -148.5973 760540.8031 -8.0176 -7.9258 PRESSURE: 437600 -28.2976 57.7356 74.234 57.7355 -127.314 39.0151 74.2339 39.0148 66.6125 GPRESSURE: 437600 -39.5998 51.7932 -2.60325 107.716 -42.6639 -21.729 188.304 113.37 100.142 PRESSAVG: 437600 41.8351 -18.4922 37.5117 -18.4923 20.6657 -35.2367 37.5117 -35.2367 8.95044 GPRESSAVG: 437600 42.3755 -20.2077 39.2168 -18.5829 21.8646 -36.0571 38.3858 -35.2718 7.71825 TIMING: 437600 CPU: 1378.1, 0.00314456/step Wall: 1378.1, 0.00314456/step, 3.98521 hours remaining, 233.414062 MB of memory in use. ENERGY: 437600 3963.7860 20444.6006 14451.7925 229.3304 -203225.0930 2264.6692 0.0000 0.0000 51909.5718 -109961.3425 298.3250 -161870.9144 -109613.6188 298.8262 -29.6663 5.9593 760376.4654 23.8171 23.9861 PRESSURE: 437800 -387.345 -114.836 225.2 -114.836 31.9025 377.979 225.2 377.98 220.814 GPRESSURE: 437800 -183.569 -142.69 254.174 -63.8052 46.5358 385.992 287.192 425.82 99.3489 PRESSAVG: 437800 35.1656 -1.27358 77.8981 -1.2736 -45.3999 39.9059 77.8981 39.9058 -5.94215 GPRESSAVG: 437800 36.4548 -1.61504 77.8391 -0.803417 -46.9083 40.7815 75.3458 37.3697 -5.49913 TIMING: 437800 CPU: 1378.73, 0.00313516/step Wall: 1378.73, 0.00313516/step, 3.97312 hours remaining, 233.414062 MB of memory in use. ENERGY: 437800 3980.6124 20383.8352 14435.5093 234.0160 -203417.5276 2473.9335 0.0000 0.0000 51998.1682 -109911.4530 298.8342 -161909.6212 -109566.9041 298.2253 -44.8759 -12.5616 759072.8759 -5.3921 -5.3175 PRESSURE: 438000 281.722 6.09113 -167.377 6.09245 -312.417 2.41103 -167.378 2.41048 -4.31453 GPRESSURE: 438000 201.348 29.7303 -247.839 -3.93318 -240.633 11.2084 -195.495 -24.3028 97.5314 PRESSAVG: 438000 38.5817 -15.5024 -15.7565 -15.5025 -66.0441 25.7447 -15.7566 25.7448 0.343802 GPRESSAVG: 438000 38.0815 -16.3257 -16.9411 -15.4586 -66.0506 26.0472 -14.9867 28.3368 0.870519 TIMING: 438000 CPU: 1379.36, 0.00313786/step Wall: 1379.36, 0.00313786/step, 3.97637 hours remaining, 233.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 438000 3937.5277 20471.5380 14372.3097 238.3453 -203236.7617 2294.9717 0.0000 0.0000 51903.0562 -110019.0131 298.2876 -161922.0693 -109658.9757 298.7657 -11.6698 19.4154 759504.5478 -9.0396 -9.0329 PRESSURE: 438200 -75.4176 -3.82654 23.9513 -3.82697 -55.1014 169.066 23.952 169.066 17.818 GPRESSURE: 438200 -7.87279 8.15223 90.0631 81.0581 108.653 80.1905 30.9121 284.485 -120.964 PRESSAVG: 438200 10.5319 -15.5079 -1.3589 -15.5079 -15.3154 -8.6751 -1.35891 -8.6751 5.85449 GPRESSAVG: 438200 9.73579 -15.6931 0.0436747 -14.0996 -14.2186 -8.88487 -2.10653 -11.2943 5.43718 TIMING: 438200 CPU: 1379.98, 0.00312963/step Wall: 1379.98, 0.00312963/step, 3.96577 hours remaining, 233.414062 MB of memory in use. ENERGY: 438200 3962.2345 20462.7473 14350.0909 244.2698 -203679.0094 2479.7588 0.0000 0.0000 52062.7458 -110117.1623 299.2053 -162179.9081 -109755.6876 298.5064 -37.5670 -6.7278 758386.8210 0.3570 0.3181 PRESSURE: 438400 -172.962 -62.9003 85.4049 -62.9001 68.3167 149.196 85.4046 149.196 -167.389 GPRESSURE: 438400 -181.838 40.6514 170.81 -188.079 127.175 205.009 108.905 0.132872 -124.052 PRESSAVG: 438400 -12.6534 -48.3147 5.49211 -48.3147 -8.54367 -38.2012 5.49209 -38.2013 -8.07895 GPRESSAVG: 438400 -11.9693 -45.6021 3.51638 -49.55 -10.0171 -37.3218 6.70341 -36.7938 -6.88897 TIMING: 438400 CPU: 1380.61, 0.00311648/step Wall: 1380.61, 0.00311648/step, 3.94893 hours remaining, 233.414062 MB of memory in use. ENERGY: 438400 3938.5770 20301.0739 14398.8285 239.7540 -203399.2050 2245.2794 0.0000 0.0000 52047.1419 -110228.5503 299.1156 -162275.6922 -109855.7116 298.0302 -90.6781 -59.5719 758923.5507 -9.7587 -9.6251 PRESSURE: 438600 -264.797 -100.507 -62.8891 -100.506 -324.344 -66.6396 -62.8889 -66.6406 -409.409 GPRESSURE: 438600 -237.871 -95.9477 -70.6211 22.2944 -245.888 -175.516 -90.7013 -73.227 -425.014 PRESSAVG: 438600 42.5386 -79.8299 -4.37368 -79.8299 -28.5903 -26.5609 -4.37371 -26.5609 -0.361034 GPRESSAVG: 438600 42.3906 -80.7682 -3.89405 -79.8099 -27.2616 -28.2135 -2.47893 -25.2273 -1.68074 TIMING: 438600 CPU: 1381.23, 0.00312691/step Wall: 1381.23, 0.00312691/step, 3.96197 hours remaining, 233.414062 MB of memory in use. ENERGY: 438600 3888.1054 20506.0564 14471.0041 235.4380 -203189.9901 2208.5403 0.0000 0.0000 51674.8736 -110205.9724 296.9762 -161880.8460 -109847.2381 297.8693 -332.8498 -302.9242 762182.1310 4.5291 4.4828 PRESSURE: 438800 111.593 -242.596 -95.2267 -242.598 -75.2995 107.265 -95.228 107.264 -212.58 GPRESSURE: 438800 227.084 -94.9529 -106.623 -283.944 -125.75 177.442 -60.8075 60.7566 -181.845 PRESSAVG: 438800 -38.1114 -70.9926 12.6533 -70.9925 53.445 -38.0798 12.6533 -38.0798 -24.1807 GPRESSAVG: 438800 -37.4225 -72.5828 14.0788 -70.3654 53.5643 -37.5098 10.3144 -38.1185 -24.8739 TIMING: 438800 CPU: 1381.86, 0.00313969/step Wall: 1381.86, 0.00313969/step, 3.97798 hours remaining, 233.414062 MB of memory in use. ENERGY: 438800 3911.3700 20391.0688 14451.0476 260.8794 -203608.0570 2445.5533 0.0000 0.0000 51870.7544 -110277.3836 298.1019 -162148.1380 -109917.7824 297.7640 -58.7623 -26.8372 761150.6783 -2.9490 -2.9107 PRESSURE: 439000 -141.675 -180.205 32.2354 -180.205 -99.8131 -137.049 32.235 -137.049 192.046 GPRESSURE: 439000 -96.5817 -122.963 54.1294 -178.886 -65.2103 -211.985 -13.3739 -87.7431 179.833 PRESSAVG: 439000 3.91417 -64.0203 42.6846 -64.0204 -36.3584 -15.1645 42.6846 -15.1645 -29.4011 GPRESSAVG: 439000 3.61504 -61.0878 41.1606 -65.5033 -37.4822 -15.7849 42.9441 -18.0552 -28.3181 TIMING: 439000 CPU: 1382.49, 0.00315727/step Wall: 1382.49, 0.00315727/step, 4.00009 hours remaining, 233.414062 MB of memory in use. ENERGY: 439000 4013.6052 20489.5890 14366.3806 247.3040 -204037.1411 2836.0979 0.0000 0.0000 52003.3653 -110080.7991 298.8641 -162084.1644 -109730.7043 298.0256 -16.4807 6.0138 762364.8224 -20.6151 -20.7284 PRESSURE: 439200 112.867 -51.76 298.571 -51.7601 103.075 163.667 298.572 163.668 143.68 GPRESSURE: 439200 83.9145 -101.45 336.56 32.4344 233.708 214.324 268.5 229.102 107.685 PRESSAVG: 439200 9.9206 -38.1446 51.7871 -38.1447 19.378 -55.5201 51.7872 -55.52 26.9092 GPRESSAVG: 439200 8.59381 -40.0342 53.6329 -35.9194 19.6599 -54.1905 51.281 -55.0199 27.3427 TIMING: 439200 CPU: 1383.12, 0.00315083/step Wall: 1383.12, 0.00315083/step, 3.99175 hours remaining, 233.414062 MB of memory in use. ENERGY: 439200 3955.5219 20442.8307 14350.3777 250.0349 -203711.1407 2460.1573 0.0000 0.0000 51870.0855 -110382.1326 298.0981 -162252.2181 -110016.7056 298.2519 119.8743 141.7692 759612.5706 18.7359 18.5321 PRESSURE: 439400 -64.9619 53.5383 107.678 53.5381 -302.973 -130.87 107.678 -130.87 104.551 GPRESSURE: 439400 -64.7257 50.8157 97.6061 105.885 -223.644 -171.636 149.892 -15.9544 104.001 PRESSAVG: 439400 -27.5557 -42.2827 40.5726 -42.2826 -5.66886 -2.21435 40.5725 -2.21435 -3.60492 GPRESSAVG: 439400 -26.2503 -42.0956 38.0213 -42.9437 -5.95215 -2.91009 42.6603 1.24841 -4.80466 TIMING: 439400 CPU: 1383.75, 0.00314038/step Wall: 1383.75, 0.00314038/step, 3.97833 hours remaining, 233.414062 MB of memory in use. ENERGY: 439400 3972.9883 20422.1918 14333.1620 267.2870 -203777.3761 2487.3780 0.0000 0.0000 51796.7348 -110497.6343 297.6765 -162294.3690 -110144.7735 297.8592 -87.7946 -61.4560 760186.0723 -12.2765 -12.3357 PRESSURE: 439600 -21.9522 -282.528 -39.0145 -282.528 -102.386 63.825 -39.0143 63.825 109.315 GPRESSURE: 439600 72.3027 -121.549 -86.7355 -260.331 -153.873 -11.9245 -99.3245 -47.6802 169.171 PRESSAVG: 439600 38.4538 -46.8102 27.2638 -46.8102 -19.0188 -41.0471 27.2638 -41.0471 -4.33636 GPRESSAVG: 439600 36.7399 -46.2723 27.4922 -47.6829 -18.6499 -42.8558 24.9967 -41.2485 -2.81048 TIMING: 439600 CPU: 1384.38, 0.00314736/step Wall: 1384.38, 0.00314736/step, 3.98701 hours remaining, 233.414062 MB of memory in use. ENERGY: 439600 3979.5654 20328.1755 14399.5994 229.6277 -203403.3503 2533.8749 0.0000 0.0000 51648.5136 -110283.9939 296.8247 -161932.5074 -109923.0036 297.8032 -5.0078 29.2001 761332.7814 5.0329 5.0932 PRESSURE: 439800 158.097 59.3393 59.729 59.3393 92.1051 -32.2051 59.7294 -32.2057 266.989 GPRESSURE: 439800 293.661 90.2595 21.9794 4.12559 22.6699 -59.134 -4.14876 28.1278 297.592 PRESSAVG: 439800 19.0882 1.01573 45.2805 1.01575 -17.4137 1.44128 45.2805 1.44139 28.0297 GPRESSAVG: 439800 20.7783 1.16593 46.8627 2.95443 -17.2324 3.68425 46.0764 0.168102 26.6858 TIMING: 439800 CPU: 1385, 0.00313191/step Wall: 1385, 0.00313191/step, 3.96727 hours remaining, 233.414062 MB of memory in use. ENERGY: 439800 3973.1007 20452.9636 14449.1358 254.7098 -204049.3568 2669.6596 0.0000 0.0000 51873.6660 -110376.1214 298.1187 -162249.7874 -110015.3535 297.7622 172.3970 204.6409 760816.0709 9.9014 10.0772 PRESSURE: 440000 -299.377 83.044 15.8088 83.0435 -65.5166 -54.7486 15.81 -54.7484 -260.312 GPRESSURE: 440000 -213.238 93.4455 20.8267 -52.2771 -92.2472 -46.9017 160.479 -82.476 -230.969 PRESSAVG: 440000 72.6901 -90.1665 43.0015 -90.1665 -46.4212 -13.1479 43.0016 -13.1479 11.8877 GPRESSAVG: 440000 72.1102 -88.4547 43.7322 -93.3524 -47.072 -12.9059 43.6508 -11.9279 12.8708 TIMING: 440000 CPU: 1385.63, 0.00313219/step Wall: 1385.63, 0.00313219/step, 3.96744 hours remaining, 233.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 440000 3913.8941 20417.5270 14412.3935 234.6236 -203736.1464 2432.4982 0.0000 0.0000 51825.7263 -110499.4838 297.8432 -162325.2102 -110127.2819 297.3083 -208.4019 -178.8179 760234.6948 12.7189 12.6363 PRESSURE: 440200 -483.615 -129.463 53.8873 -129.462 -246.227 54.2559 53.8867 54.2553 -335.148 GPRESSURE: 440200 -354.188 -169.239 104.694 -92.5285 -299.584 37.9863 20.29 -28.8857 -327.145 PRESSAVG: 440200 -2.72285 -53.5539 2.19975 -53.5538 4.70446 -11.8612 2.19971 -11.8613 -16.2902 GPRESSAVG: 440200 -2.49806 -54.3232 1.71493 -53.3272 4.22593 -14.1027 1.10796 -11.8469 -16.2944 TIMING: 440200 CPU: 1386.26, 0.00312784/step Wall: 1386.26, 0.00312784/step, 3.96176 hours remaining, 233.414062 MB of memory in use. ENERGY: 440200 3928.3730 20436.6059 14381.5931 237.0598 -203512.1324 2361.4239 0.0000 0.0000 51712.6333 -110454.4435 297.1932 -162167.0768 -110093.9371 297.8816 -354.9968 -326.9723 758715.9528 -4.7695 -4.8555 LDB: ============= START OF LOAD BALANCING ============== 1398.65 LDB: ============== END OF LOAD BALANCING =============== 1398.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1398.66 LDB: ============= START OF LOAD BALANCING ============== 1398.97 LDB: Largest compute 7070 load 0.033212 is 17.0% of average load 0.195791 LDB: Average compute 0.004378 is 2.2% of average load 0.195791 LDB: TIME 1398.98 LOAD: AVG 0.195791 MAX 0.217452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.145 MB LDB: TIME 1398.98 LOAD: AVG 0.195791 MAX 0.217452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.383 MB LDB: TIME 1398.98 LOAD: AVG 0.195791 MAX 0.217452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.383 MB LDB: ============== END OF LOAD BALANCING =============== 1398.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1398.98 Info: useSync: 0 useProxySync: 0 PRESSURE: 440400 -179.629 16.6583 20.7886 16.6588 40.9595 -13.273 20.7895 -13.2729 -245.367 GPRESSURE: 440400 -144.999 194.257 -57.4356 -42.2427 44.3664 10.8367 121.192 109.275 -195.299 PRESSAVG: 440400 -6.57543 -49.7147 43.7344 -49.7147 13.579 -19.2493 43.7345 -19.2492 -0.210628 GPRESSAVG: 440400 -6.84593 -48.6987 40.1596 -47.504 14.6311 -19.1172 46.9445 -19.3968 -0.518169 TIMING: 440400 CPU: 1386.9, 0.0032212/step Wall: 1386.9, 0.0032212/step, 4.07983 hours remaining, 233.054688 MB of memory in use. ENERGY: 440400 3874.5471 20366.9630 14410.2611 246.8960 -203582.5013 2434.9716 0.0000 0.0000 51789.8135 -110459.0491 297.6368 -162248.8625 -110099.0592 297.8122 -128.0119 -98.6441 759075.7479 2.2643 2.4223 PRESSURE: 440600 -16.0861 -64.4323 128.308 -64.4321 -291.161 -217.941 128.309 -217.942 -94.9679 GPRESSURE: 440600 -70.4109 -101.654 109.703 -121.074 -210.684 -235.012 123.947 -290.929 -33.7559 PRESSAVG: 440600 -56.4991 -25.8872 46.6005 -25.8871 63.2971 12.5947 46.6006 12.5949 -16.0496 GPRESSAVG: 440600 -56.0949 -26.4299 49.6596 -30.2257 62.5491 12.6477 44.8651 12.7372 -15.4045 TIMING: 440600 CPU: 1387.53, 0.00315534/step Wall: 1387.53, 0.00315534/step, 3.99624 hours remaining, 233.054688 MB of memory in use. ENERGY: 440600 4001.4723 20304.1293 14455.7637 253.7878 -203154.8599 2291.6668 0.0000 0.0000 51566.7680 -110281.2720 296.3549 -161848.0400 -109911.3225 297.5467 -134.0716 -104.9503 760125.3301 -3.0838 -2.9834 PRESSURE: 440800 -170.787 99.9037 154.655 99.9039 295.049 -195.506 154.654 -195.505 139.966 GPRESSURE: 440800 -57.1241 59.4128 105.8 187.537 284.151 -99.4941 107.875 -132.919 123.705 PRESSAVG: 440800 29.8324 -50.7654 7.18314 -50.7655 -5.35716 -28.2205 7.18312 -28.2205 11.1664 GPRESSAVG: 440800 30.3576 -51.9712 6.34969 -47.1235 -4.97366 -28.4202 6.76816 -28.7336 10.0708 TIMING: 440800 CPU: 1388.16, 0.00315419/step Wall: 1388.16, 0.00315419/step, 3.99461 hours remaining, 233.054688 MB of memory in use. ENERGY: 440800 3904.0638 20359.0947 14370.2534 245.8436 -203565.3867 2443.5331 0.0000 0.0000 52118.2080 -110124.3902 299.5241 -162242.5981 -109762.0187 298.2946 88.0759 116.9106 759183.9153 11.8806 11.8182 PRESSURE: 441000 -80.6092 -194.432 35.606 -194.432 -505.14 -4.30864 35.6066 -4.30833 276.085 GPRESSURE: 441000 15.1983 -232.822 123.849 -182.804 -500.362 32.8978 49.2485 -57.5529 247.582 PRESSAVG: 441000 23.2872 -60.7726 -34.7242 -60.7726 -12.2186 -40.6117 -34.7241 -40.6117 13.5578 GPRESSAVG: 441000 22.0013 -59.341 -34.5025 -60.69 -12.3823 -40.3582 -36.4311 -43.7845 15.0233 TIMING: 441000 CPU: 1388.8, 0.00317851/step Wall: 1388.8, 0.00317851/step, 4.02523 hours remaining, 233.292969 MB of memory in use. ENERGY: 441000 3972.4953 20291.3901 14393.6682 227.5735 -203449.5353 2436.7040 0.0000 0.0000 52130.9815 -109996.7226 299.5975 -162127.7041 -109632.3103 298.2511 -103.2214 -79.1939 760335.6057 8.2088 8.2141 PRESSURE: 441200 -250.511 -88.2092 -118.137 -88.2086 -40.8468 -15.547 -118.136 -15.5473 46.508 GPRESSURE: 441200 -189.681 39.1697 -94.2251 -133.739 54.7758 41.9771 -134.746 141.434 -13.2481 PRESSAVG: 441200 71.2104 -7.5108 -33.4642 -7.51083 -83.0017 -60.6038 -33.4642 -60.6039 -2.14506 GPRESSAVG: 441200 70.648 -7.46348 -32.0549 -9.04179 -82.1566 -60.5822 -32.3661 -58.5219 -2.39254 TIMING: 441200 CPU: 1389.43, 0.00315516/step Wall: 1389.43, 0.00315516/step, 3.99549 hours remaining, 233.292969 MB of memory in use. ENERGY: 441200 4036.4385 20255.8016 14501.1235 267.0375 -203342.1245 2621.3554 0.0000 0.0000 51644.0568 -110016.3112 296.7991 -161660.3680 -109662.3432 298.5697 -81.6164 -49.3844 760247.1829 -4.6454 -4.6337 PRESSURE: 441400 66.2979 -65.9247 -270.305 -65.9249 -123.607 -108.271 -270.305 -108.272 -163.405 GPRESSURE: 441400 86.783 -14.8808 -300.563 -66.6424 -3.68112 -211.401 -259.927 76.1174 -201.583 PRESSAVG: 441400 -3.77764 -16.0669 -29.6556 -16.0669 -28.6586 -35.2639 -29.6556 -35.2639 -16.5823 GPRESSAVG: 441400 -2.84599 -17.0632 -28.9227 -14.8004 -28.959 -35.5301 -29.9968 -36.8777 -17.3353 TIMING: 441400 CPU: 1390.06, 0.00316245/step Wall: 1390.06, 0.00316245/step, 4.00454 hours remaining, 233.292969 MB of memory in use. ENERGY: 441400 4049.0885 20379.2800 14409.3653 251.0582 -203542.5042 2494.0159 0.0000 0.0000 52002.4672 -109957.2290 298.8589 -161959.6963 -109591.8117 298.7061 -73.5715 -39.4936 761499.8948 -16.3395 -16.3801 PRESSURE: 441600 49.4568 -85.0947 244.579 -85.0945 -164.117 -77.1171 244.579 -77.1162 -578.969 GPRESSURE: 441600 -78.2858 77.5287 259.425 -197.74 -110.641 -126.831 185.604 -108.209 -433.697 PRESSAVG: 441600 8.1171 6.88049 -2.15519 6.88051 0.291745 16.7836 -2.15514 16.7836 8.95138 GPRESSAVG: 441600 7.62567 9.03634 -5.28341 5.31931 -0.748224 17.7695 -2.29008 17.0781 10.4037 TIMING: 441600 CPU: 1390.69, 0.00316475/step Wall: 1390.69, 0.00316475/step, 4.00727 hours remaining, 233.292969 MB of memory in use. ENERGY: 441600 3959.7944 20213.6231 14442.3258 239.8587 -203303.7282 2380.7309 0.0000 0.0000 51945.5089 -110121.8863 298.5316 -162067.3953 -109759.1008 298.2406 -231.2099 -207.5411 762231.8051 5.7867 5.7604 PRESSURE: 441800 -82.1203 124.119 176.452 124.118 -233.575 -11.4479 176.453 -11.4477 171.723 GPRESSURE: 441800 -127.82 18.6057 199.405 43.3881 -164.513 -4.96911 251.717 -103.18 241.9 PRESSAVG: 441800 28.4366 -8.50095 22.1019 -8.50099 -0.44688 -27.8535 22.102 -27.8536 -21.1018 GPRESSAVG: 441800 28.5048 -10.3887 23.8484 -8.53306 0.926412 -28.3816 19.9951 -27.3745 -22.5571 TIMING: 441800 CPU: 1391.32, 0.00315088/step Wall: 1391.32, 0.00315088/step, 3.98954 hours remaining, 233.292969 MB of memory in use. ENERGY: 441800 4028.0349 20415.5954 14444.1515 263.8985 -202967.3529 2197.0700 0.0000 0.0000 51761.7535 -109856.8491 297.4755 -161618.6026 -109512.1839 298.5162 -47.9908 -16.8110 760593.2908 2.2960 2.2914 PRESSURE: 442000 -103.491 -132.526 231.793 -132.526 183.127 -38.1086 231.793 -38.1094 157.38 GPRESSURE: 442000 28.9943 -159.717 144.17 -37.8079 150.363 -53.8575 266.006 -5.57591 157.845 PRESSAVG: 442000 35.2998 -4.93661 21.8474 -4.9366 10.4767 16.7515 21.8475 16.7515 18.425 GPRESSAVG: 442000 37.0201 -5.34616 21.4112 -4.80848 8.96783 16.5748 23.5179 17.9953 18.7356 TIMING: 442000 CPU: 1391.96, 0.00315702/step Wall: 1391.96, 0.00315702/step, 3.99713 hours remaining, 233.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 442000 3939.7436 20305.0183 14423.3659 242.7152 -203526.8106 2711.6573 0.0000 0.0000 51905.7143 -109998.5960 298.3029 -161904.3103 -109632.3542 298.9521 79.0054 112.4008 761065.4962 21.4005 21.5745 PRESSURE: 442200 -6.89914 -71.0143 153.491 -71.0142 -127.271 107.875 153.49 107.876 51.1222 GPRESSURE: 442200 7.91331 -32.8528 136.958 -95.1205 -62.3215 76.7754 69.0028 43.1623 48.4567 PRESSAVG: 442200 21.5172 -61.6507 23.875 -61.6508 13.1504 14.3514 23.8749 14.3514 -6.83414 GPRESSAVG: 442200 19.547 -61.1961 23.3906 -58.7956 15.0512 14.5 25.0066 12.7292 -7.26281 TIMING: 442200 CPU: 1392.58, 0.0031323/step Wall: 1392.58, 0.0031323/step, 3.96566 hours remaining, 233.496094 MB of memory in use. ENERGY: 442200 4002.0960 20367.1958 14385.5840 238.4432 -203389.0106 2453.4088 0.0000 0.0000 52018.6491 -109923.6339 298.9519 -161942.2830 -109569.6892 298.3007 -27.6828 -1.9838 761089.5422 9.2778 9.1118 PRESSURE: 442400 -122.096 -57.5594 -81.3499 -57.5603 -124.111 -84.0858 -81.3497 -84.0859 72.1045 GPRESSURE: 442400 -200.284 4.71182 -33.3236 -196.108 11.4882 -40.581 -226.101 -75.9432 111.18 PRESSAVG: 442400 -17.3197 -27.2737 20.1045 -27.2737 51.1102 9.37187 20.1045 9.37181 -14.8552 GPRESSAVG: 442400 -17.4341 -27.65 19.4209 -28.7685 49.8844 9.37152 19.7965 11.1991 -13.3019 TIMING: 442400 CPU: 1393.21, 0.00314174/step Wall: 1393.21, 0.00314174/step, 3.97744 hours remaining, 233.496094 MB of memory in use. ENERGY: 442400 3983.9276 20376.5047 14387.4661 250.9601 -203515.3759 2357.5933 0.0000 0.0000 51952.9000 -110206.0240 298.5740 -162158.9240 -109852.9178 298.5962 -58.0342 -25.8718 761200.3188 6.3118 6.3828 PRESSURE: 442600 438.643 -97.835 -185.527 -97.8359 319.83 -159.8 -185.527 -159.8 363.479 GPRESSURE: 442600 476.224 -48.66 -142.375 -181.386 332.792 -68.5125 -30.1508 -326.26 411.974 PRESSAVG: 442600 47.9567 -3.18736 -26.9118 -3.18733 -6.19709 -52.4804 -26.9118 -52.4804 -9.24786 GPRESSAVG: 442600 48.3523 -3.28407 -25.7895 -2.47776 -5.54157 -52.695 -27.5223 -53.1653 -10.0728 TIMING: 442600 CPU: 1393.84, 0.00315636/step Wall: 1393.84, 0.00315636/step, 3.99577 hours remaining, 233.496094 MB of memory in use. ENERGY: 442600 3995.0400 20449.6301 14447.3492 249.1789 -203743.5607 2761.9465 0.0000 0.0000 51748.2863 -110092.1297 297.3981 -161840.4160 -109735.1048 298.1748 373.9838 406.9964 759374.3646 10.8372 10.9126 PRESSURE: 442800 164.198 108.179 73.7482 108.179 110.785 97.8177 73.7482 97.8191 -319.285 GPRESSURE: 442800 199.533 124.134 -9.12069 118.979 142.543 107.198 171.623 211.84 -287.501 PRESSAVG: 442800 1.01229 -50.0712 22.8808 -50.0712 4.8702 -23.2078 22.8808 -23.2078 -0.0412537 GPRESSAVG: 442800 2.55564 -48.5636 21.8008 -52.6838 3.89081 -25.1463 23.6453 -23.227 -0.876213 TIMING: 442800 CPU: 1394.47, 0.00315597/step Wall: 1394.47, 0.00315597/step, 3.99511 hours remaining, 233.496094 MB of memory in use. ENERGY: 442800 3947.1433 20321.5039 14376.2248 251.6976 -203128.0734 2363.3894 0.0000 0.0000 51942.5771 -109925.5373 298.5147 -161868.1145 -109551.4705 298.1392 -14.7675 18.1917 760577.2513 1.9471 1.8567 PRESSURE: 443000 -156 -382.48 146.704 -382.48 -135.017 34.9224 146.704 34.9222 -109.806 GPRESSURE: 443000 -97.0307 -351.601 216.241 -310.719 -118.068 -0.900216 0.174474 8.28752 -105.127 PRESSAVG: 443000 -28.7892 -39.8536 29.3463 -39.8537 -4.05194 35.6499 29.3463 35.6499 -21.4461 GPRESSAVG: 443000 -29.0235 -40.1417 31.0404 -36.8901 -4.82709 37.6476 28.95 37.0994 -20.302 TIMING: 443000 CPU: 1395.1, 0.00312389/step Wall: 1395.1, 0.00312389/step, 3.95432 hours remaining, 233.496094 MB of memory in use. ENERGY: 443000 4103.4932 20569.0286 14405.8175 240.2405 -203233.1889 2329.4637 0.0000 0.0000 51667.9900 -109917.1553 296.9366 -161585.1454 -109565.4349 298.0215 -133.6073 -106.7419 760755.7132 -18.0958 -18.0509 PRESSURE: 443200 76.7647 -62.7537 -47.5771 -62.7536 -89.8026 -371.74 -47.577 -371.741 -350.266 GPRESSURE: 443200 144.5 -63.0647 -61.1646 -57.2975 -101.599 -443.952 -92.2949 -394.021 -313.18 PRESSAVG: 443200 10.1299 -9.96942 -14.0097 -9.96949 -4.97153 47.8247 -14.0097 47.8247 -14.4533 GPRESSAVG: 443200 10.2622 -13.2918 -12.334 -10.5958 -4.90394 47.8245 -15.1055 46.3428 -14.6393 TIMING: 443200 CPU: 1395.73, 0.00317292/step Wall: 1395.73, 0.00317293/step, 4.01622 hours remaining, 233.496094 MB of memory in use. ENERGY: 443200 3953.3772 20540.8405 14432.2595 224.9338 -203310.2402 2448.8442 0.0000 0.0000 51683.8967 -110026.0883 297.0281 -161709.9850 -109663.2794 298.6110 -121.1013 -90.0930 760141.8399 -3.0983 -3.0937 PRESSURE: 443400 -183.647 1.62056 -9.76749 1.62108 -214.19 -52.5734 -9.76735 -52.572 -13.218 GPRESSURE: 443400 -192.451 18.6931 -38.0114 74.6941 -200.49 -95.6796 -27.313 -63.298 72.0699 PRESSAVG: 443400 22.107 29.7397 27.4304 29.7397 13.0357 -15.0119 27.4304 -15.0119 11.4937 GPRESSAVG: 443400 20.7678 33.1983 26.7825 28.759 13.8885 -15.4141 25.955 -15.7396 11.4551 TIMING: 443400 CPU: 1396.37, 0.00317486/step Wall: 1396.37, 0.00317486/step, 4.01849 hours remaining, 233.496094 MB of memory in use. ENERGY: 443400 3976.7846 20466.3521 14430.9978 229.0989 -203262.6618 2353.7234 0.0000 0.0000 51797.0148 -110008.6902 297.6782 -161805.7050 -109650.7014 298.6361 -137.0184 -106.9569 759760.9823 15.5455 15.3704 PRESSURE: 443600 104.842 -117.559 -194.466 -117.559 266.172 -195.874 -194.466 -195.874 -14.6992 GPRESSURE: 443600 129.302 -144.04 -238.151 -118.952 346.497 -166.575 -100.874 -79.158 -19.9655 PRESSAVG: 443600 5.60697 -11.8188 26.0575 -11.8187 -16.2047 -21.5844 26.0576 -21.5843 10.3902 GPRESSAVG: 443600 5.72543 -13.7481 24.4333 -11.3335 -15.9521 -22.3079 27.3046 -20.6152 10.2416 TIMING: 443600 CPU: 1397, 0.00317532/step Wall: 1397, 0.00317532/step, 4.0189 hours remaining, 233.496094 MB of memory in use. ENERGY: 443600 3942.0129 20380.9130 14461.0215 242.2521 -203419.1786 2556.3236 0.0000 0.0000 51931.1790 -109905.4765 298.4492 -161836.6555 -109536.9319 298.1745 118.7716 151.9447 761389.8863 -0.0692 0.0050 PRESSURE: 443800 141.424 -196.432 170.787 -196.431 -205.569 135.85 170.789 135.85 159.543 GPRESSURE: 443800 180.312 -136.711 59.4932 -123.171 -192.323 179.921 202.136 148.85 191.135 PRESSAVG: 443800 34.5563 -74.3532 41.9548 -74.3533 -39.8752 58.2867 41.9549 58.2866 -30.0834 GPRESSAVG: 443800 36.2222 -73.2589 41.7427 -75.0717 -41.485 59.4645 43.6014 58.5908 -30.4973 TIMING: 443800 CPU: 1397.64, 0.00316764/step Wall: 1397.64, 0.00316764/step, 4.009 hours remaining, 233.496094 MB of memory in use. ENERGY: 443800 3999.0831 20367.5003 14493.7996 229.2187 -203248.1300 2287.2827 0.0000 0.0000 52190.5369 -109680.7088 299.9397 -161871.2457 -109329.5222 298.7009 31.7993 59.7082 760666.7856 -11.8008 -11.9200 PRESSURE: 444000 -89.6983 -75.5214 -170.809 -75.522 118.723 -41.7452 -170.81 -41.7457 167.381 GPRESSURE: 444000 -3.34257 -107.037 -134.169 -32.203 175.114 -5.41928 -195.389 37.7642 126.833 PRESSAVG: 444000 46.2364 -6.11626 15.4817 -6.11622 30.664 -12.8283 15.4817 -12.8283 -19.478 GPRESSAVG: 444000 46.0174 -6.66738 15.9323 -6.15956 31.0892 -12.4296 14.3508 -15.6572 -19.1751 TIMING: 444000 CPU: 1398.27, 0.00314506/step Wall: 1398.27, 0.00314506/step, 3.98024 hours remaining, 233.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 444000 3909.2954 20390.4615 14399.4235 248.3807 -203551.8422 2616.4281 0.0000 0.0000 52082.1473 -109905.7058 299.3168 -161987.8531 -109547.7010 298.7466 65.4686 99.5348 760389.4767 19.1408 19.3105 PRESSURE: 444200 93.3406 -72.825 -7.04035 -72.8249 -112.109 62.5229 -7.04057 62.5219 -188.342 GPRESSURE: 444200 240.107 -31.4247 -78.2579 -44.2375 -183.183 121.565 -77.9241 232.185 -197.08 PRESSAVG: 444200 33.079 -113.822 -17.9568 -113.822 -28.3458 9.15948 -17.9568 9.15946 -13.4885 GPRESSAVG: 444200 32.6332 -112.541 -17.3028 -114.925 -28.4164 8.83326 -18.6291 10.9769 -13.4536 TIMING: 444200 CPU: 1398.9, 0.0031715/step Wall: 1398.9, 0.0031715/step, 4.01353 hours remaining, 233.496094 MB of memory in use. ENERGY: 444200 4032.8479 20512.6089 14427.5112 249.6676 -203247.4674 2323.1433 0.0000 0.0000 51920.0723 -109781.6163 298.3854 -161701.6886 -109423.7819 298.3435 -69.0368 -46.7188 759195.1969 -2.9184 -3.0789 LDB: ============= START OF LOAD BALANCING ============== 1411.3 LDB: ============== END OF LOAD BALANCING =============== 1411.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1411.3 LDB: ============= START OF LOAD BALANCING ============== 1411.62 LDB: Largest compute 7066 load 0.031194 is 15.9% of average load 0.195719 LDB: Average compute 0.004392 is 2.2% of average load 0.195719 LDB: TIME 1411.62 LOAD: AVG 0.195719 MAX 0.217814 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.863 MB LDB: TIME 1411.62 LOAD: AVG 0.195719 MAX 0.217814 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.066 MB LDB: TIME 1411.62 LOAD: AVG 0.195719 MAX 0.217814 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.066 MB LDB: ============== END OF LOAD BALANCING =============== 1411.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1411.63 PRESSURE: 444400 108.562 -280.761 96.5234 -280.761 109.186 37.7118 96.5232 37.7099 404.543 GPRESSURE: 444400 126.249 -352.554 12.261 -265.922 219.982 -52.6677 174.8 -3.4771 359.434 PRESSAVG: 444400 51.6851 -92.507 6.48867 -92.507 -13.3253 3.34515 6.48866 3.34517 32.7819 GPRESSAVG: 444400 52.1997 -92.7397 7.96777 -91.7989 -13.0472 3.37035 6.7109 1.4783 31.9697 TIMING: 444400 CPU: 1399.54, 0.00321969/step Wall: 1399.54, 0.00321969/step, 4.07434 hours remaining, 232.066406 MB of memory in use. ENERGY: 444400 3954.6182 20543.4493 14476.8707 261.2587 -203708.6479 2706.0866 0.0000 0.0000 51919.8769 -109846.4874 298.3842 -161766.3643 -109491.7910 298.9548 207.4303 235.2214 758462.1897 23.7139 23.7074 PRESSURE: 444600 70.8162 -89.6034 21.0952 -89.6035 84.0537 -210.952 21.0956 -210.953 -309.604 GPRESSURE: 444600 76.2362 3.29045 107.43 -140.621 126.744 -167.3 -115.522 -176.982 -257.494 PRESSAVG: 444600 -38.4243 -18.7453 31.4461 -18.7453 51.3177 18.245 31.4461 18.2451 11.8186 GPRESSAVG: 444600 -39.246 -19.3949 29.9989 -18.903 51.2761 18.151 31.7837 20.1775 12.4147 TIMING: 444600 CPU: 1400.17, 0.00314371/step Wall: 1400.17, 0.00314371/step, 3.97802 hours remaining, 232.105469 MB of memory in use. ENERGY: 444600 4015.6046 20504.8368 14438.3145 250.2270 -203514.5521 2361.7901 0.0000 0.0000 51965.0476 -109978.7316 298.6438 -161943.7792 -109606.6143 298.5171 -51.5780 -18.1712 759491.3987 8.2373 8.1483 PRESSURE: 444800 -140.541 37.3955 -146.703 37.3955 198.514 45.3535 -146.702 45.3532 1.77359 GPRESSURE: 444800 -97.9972 -48.2983 -171.529 123.585 177.183 103.367 -187.852 85.1124 59.3147 PRESSAVG: 444800 -25.4953 -5.87612 15.8701 -5.87612 11.963 51.7292 15.8701 51.7292 4.26866 GPRESSAVG: 444800 -26.2004 -6.17953 15.3877 -6.33021 12.7046 52.3804 14.6097 50.9691 4.85697 TIMING: 444800 CPU: 1400.8, 0.00313272/step Wall: 1400.8, 0.00313272/step, 3.96394 hours remaining, 232.105469 MB of memory in use. ENERGY: 444800 3953.8442 20675.0803 14410.0081 219.7056 -203665.6116 2564.9042 0.0000 0.0000 52206.5806 -109635.4885 300.0319 -161842.0691 -109283.5721 298.8340 19.9155 46.1667 759158.3275 -3.0879 -2.8796 PRESSURE: 445000 169.931 154 -52.1238 154 160.734 109.47 -52.1231 109.47 -168.814 GPRESSURE: 445000 166.917 206.711 -93.3386 140.439 174.448 109.736 -12.1902 -61.8664 -91.8986 PRESSAVG: 445000 9.07321 -59.0555 -15.2371 -59.0554 -9.71386 -31.1592 -15.2371 -31.1591 -6.34689 GPRESSAVG: 445000 9.18824 -59.4315 -15.5299 -58.4376 -9.82342 -30.5466 -14.0837 -31.5035 -6.48191 TIMING: 445000 CPU: 1401.43, 0.00314116/step Wall: 1401.43, 0.00314116/step, 3.97444 hours remaining, 232.105469 MB of memory in use. ENERGY: 445000 4039.5334 20543.6323 14482.8102 257.3039 -203491.6634 2368.8651 0.0000 0.0000 51997.8470 -109801.6715 298.8323 -161799.5186 -109441.6725 299.7719 53.9506 83.1554 759505.4685 -2.3292 -2.3724 PRESSURE: 445200 313.044 29.808 -150.335 29.8083 85.7759 -65.0343 -150.336 -65.0344 3.7603 GPRESSURE: 445200 308.215 132.443 -195.952 177.219 207.495 -82.6537 -72.286 -65.1351 -28.9344 PRESSAVG: 445200 -42.5929 -23.7421 -18.6144 -23.7421 84.5351 28.9591 -18.6144 28.9591 -1.0808 GPRESSAVG: 445200 -42.9994 -23.6965 -17.6141 -24.2885 85.569 28.0168 -16.8304 29.8553 -1.47697 TIMING: 445200 CPU: 1402.06, 0.0031453/step Wall: 1402.06, 0.0031453/step, 3.97951 hours remaining, 232.105469 MB of memory in use. ENERGY: 445200 3975.1039 20405.3664 14426.8235 254.2503 -203381.3890 2442.6015 0.0000 0.0000 51996.3058 -109880.9375 298.8235 -161877.2433 -109516.2554 299.1157 134.1933 162.2584 759505.7100 13.6205 13.6976 PRESSURE: 445400 148.053 -152.151 78.1081 -152.151 -138.14 -71.5738 78.1078 -71.5719 65.1917 GPRESSURE: 445400 145.99 -122.286 30.6397 -184.624 -104.648 -60.5301 85.365 -78.8149 113.133 PRESSAVG: 445400 -43.0237 -36.3285 6.99806 -36.3285 38.7202 -49.1683 6.99801 -49.1683 5.01021 GPRESSAVG: 445400 -42.2508 -35.7691 6.16201 -34.9165 39.516 -48.2142 5.79843 -49.7041 3.86906 TIMING: 445400 CPU: 1402.69, 0.00314943/step Wall: 1402.69, 0.00314943/step, 3.98455 hours remaining, 232.105469 MB of memory in use. ENERGY: 445400 3988.3566 20428.7571 14428.4214 262.9108 -203657.2828 2579.3288 0.0000 0.0000 51973.7713 -109995.7369 298.6940 -161969.5082 -109629.9630 298.8635 25.0349 51.4918 758989.5829 0.2356 0.3781 PRESSURE: 445600 252.366 11.8356 -4.19335 11.8356 74.723 -14.9798 -4.19319 -14.9796 465.189 GPRESSURE: 445600 225.552 41.4068 13.2007 18.1594 182.633 -28.4786 -0.923901 26.0963 469.354 PRESSAVG: 445600 13.9079 -13.3728 27.4996 -13.3728 -20.5455 -14.8953 27.4996 -14.8952 -7.52578 GPRESSAVG: 445600 14.7545 -13.5438 28.3271 -16.5705 -22.5533 -15.0841 26.9953 -15.6967 -6.16076 TIMING: 445600 CPU: 1403.31, 0.00312558/step Wall: 1403.31, 0.00312558/step, 3.95421 hours remaining, 232.105469 MB of memory in use. ENERGY: 445600 3950.5867 20447.4635 14362.6371 244.4829 -203823.3115 2796.9221 0.0000 0.0000 51962.7698 -110058.4494 298.6308 -162021.2192 -109686.6060 297.8831 264.0926 292.5131 757960.7305 -4.7211 -4.6532 PRESSURE: 445800 -82.9872 -52.3592 193.243 -52.3589 62.8499 -84.0784 193.244 -84.0783 49.1023 GPRESSURE: 445800 -12.4786 -51.9782 151.949 133.742 44.168 -91.6336 360.539 66.4921 103.406 PRESSAVG: 445800 3.13365 5.58148 19.1603 5.58149 -25.8171 28.2991 19.1603 28.2991 6.42881 GPRESSAVG: 445800 4.197 3.54442 18.7271 7.52086 -26.1496 27.3491 19.6299 29.2644 5.85275 TIMING: 445800 CPU: 1403.94, 0.0031408/step Wall: 1403.94, 0.0031408/step, 3.97329 hours remaining, 232.105469 MB of memory in use. ENERGY: 445800 3920.5643 20508.8984 14361.1266 243.7717 -202967.9445 2293.7154 0.0000 0.0000 51757.7754 -109882.0927 297.4526 -161639.8681 -109507.8689 298.6597 9.6550 45.0320 759706.7035 -5.4182 -5.3666 PRESSURE: 446000 182.917 -82.8609 -59.5477 -82.8608 148.428 224.62 -59.5471 224.619 157.613 GPRESSURE: 446000 170.603 -71.5825 -99.52 18.2418 160.485 174.897 -35.4208 219.292 230.819 PRESSAVG: 446000 -11.3879 -4.19403 43.458 -4.19402 -8.31451 -23.1984 43.4581 -23.1984 32.6999 GPRESSAVG: 446000 -12.5053 -2.38215 43.8783 -1.84222 -7.88464 -25.648 42.7283 -23.7383 33.6067 TIMING: 446000 CPU: 1404.57, 0.00313878/step Wall: 1404.57, 0.00313878/step, 3.97056 hours remaining, 232.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 446000 3971.5930 20432.4004 14434.5090 266.2541 -203620.1087 2631.0677 0.0000 0.0000 52081.2369 -109803.0476 299.3116 -161884.2845 -109440.1587 299.1050 162.9859 187.3020 758788.0791 4.3325 4.4056 PRESSURE: 446200 -159.918 17.8831 -135.582 17.8829 -86.8237 -188.332 -135.582 -188.333 -3.87878 GPRESSURE: 446200 -83.3989 12.7932 -99.8894 -88.079 -101.3 -134.424 -127.823 -132.578 14.2517 PRESSAVG: 446200 0.065261 -8.57405 5.05222 -8.57403 -1.3982 -15.3186 5.05227 -15.3187 14.596 GPRESSAVG: 446200 -0.87168 -8.00111 4.55247 -12.0632 -1.35438 -12.0876 5.51044 -15.5367 15.1641 TIMING: 446200 CPU: 1405.2, 0.00314216/step Wall: 1405.2, 0.00314216/step, 3.97466 hours remaining, 232.105469 MB of memory in use. ENERGY: 446200 4059.0057 20478.2851 14405.3009 257.9902 -203399.4412 2615.1439 0.0000 0.0000 51848.6047 -109735.1107 297.9746 -161583.7154 -109378.9483 299.2743 -83.5402 -56.8159 760376.7536 4.4210 4.3127 PRESSURE: 446400 -8.11876 -116.398 85.0562 -116.398 -169.201 -204.756 85.0572 -204.756 -277.606 GPRESSURE: 446400 28.3822 8.67196 92.6659 -129.813 -201.042 -147.365 -7.43243 -49.4953 -211.509 PRESSAVG: 446400 8.17387 -41.6492 -0.139237 -41.6492 8.85289 -16.0606 -0.139227 -16.0605 14.7824 GPRESSAVG: 446400 8.54329 -40.1286 -0.899616 -41.3515 8.54778 -16.7119 -0.405785 -16.8957 14.6635 TIMING: 446400 CPU: 1405.82, 0.00312873/step Wall: 1405.82, 0.00312873/step, 3.95749 hours remaining, 232.105469 MB of memory in use. ENERGY: 446400 3985.5953 20688.8305 14438.2379 241.9990 -203380.2483 2150.7708 0.0000 0.0000 52136.8634 -109737.9514 299.6313 -161874.8148 -109373.6220 299.5130 -151.6420 -128.0564 761432.8464 10.6031 10.5849 PRESSURE: 446600 -105.322 -96.9507 -159.016 -96.9499 -311.621 -148.18 -159.018 -148.179 -59.4799 GPRESSURE: 446600 -101.686 -118.812 -212.874 -155.917 -247.492 -209.326 -260.865 -19.9657 -25.0434 PRESSAVG: 446600 -47.5397 -35.3474 -0.411068 -35.3474 -12.5838 -81.1828 -0.411007 -81.1828 2.46087 GPRESSAVG: 446600 -47.9494 -36.5167 -0.0458591 -35.3847 -10.8106 -82.9663 -1.47783 -79.8099 1.23057 TIMING: 446600 CPU: 1406.45, 0.0031494/step Wall: 1406.45, 0.0031494/step, 3.98346 hours remaining, 232.105469 MB of memory in use. ENERGY: 446600 3957.9082 20429.1309 14408.5499 242.1807 -202979.5795 2065.9722 0.0000 0.0000 52155.6880 -109720.1495 299.7395 -161875.8375 -109368.0301 299.1876 -158.8076 -124.7404 762177.0087 -19.2209 -19.1765 PRESSURE: 446800 83.9864 93.3729 38.5548 93.3732 -40.3131 79.7264 38.5544 79.7257 121.26 GPRESSURE: 446800 130.559 -45.1194 17.0533 31.3903 -5.02779 51.068 57.4698 84.9218 110.421 PRESSAVG: 446800 -59.3756 -80.8047 -10.4613 -80.8047 66.7267 11.0385 -10.4612 11.0386 -25.6034 GPRESSAVG: 446800 -58.2643 -81.0198 -10.4546 -82.6152 66.3565 12.2147 -12.032 10.1073 -25.9112 TIMING: 446800 CPU: 1407.09, 0.00317247/step Wall: 1407.09, 0.00317247/step, 4.01247 hours remaining, 232.105469 MB of memory in use. ENERGY: 446800 4013.2249 20455.5510 14447.1385 233.0792 -203481.2451 2689.3885 0.0000 0.0000 51744.2548 -109898.6081 297.3749 -161642.8629 -109536.1195 298.6352 54.9778 78.6507 759575.5997 -6.0841 -5.9397 PRESSURE: 447000 -73.6988 16.7938 6.47421 16.7938 -329.796 -197.594 6.47464 -197.593 -567.671 GPRESSURE: 447000 -87.352 -42.5883 -18.3997 65.3162 -255.516 -221.352 150.494 -210.4 -562.628 PRESSAVG: 447000 35.2554 -66.5795 -4.29497 -66.5796 -19.5211 -15.544 -4.29505 -15.544 -4.94912 GPRESSAVG: 447000 35.6408 -67.562 -4.12371 -62.4215 -21.1423 -13.8 -2.76682 -15.7211 -3.92809 TIMING: 447000 CPU: 1407.72, 0.00316887/step Wall: 1407.72, 0.00316886/step, 4.00773 hours remaining, 232.105469 MB of memory in use. ENERGY: 447000 3920.8125 20404.9391 14455.2752 240.9418 -203200.6340 2162.1407 0.0000 0.0000 51799.3875 -110217.1371 297.6918 -162016.5246 -109855.7133 298.2430 -323.7219 -301.8320 759906.0784 3.5951 3.5234 PRESSURE: 447200 22.5178 -200.741 -22.8223 -200.741 285.403 -108.39 -22.8224 -108.388 122.376 GPRESSURE: 447200 51.1125 -217.724 -56.1424 -150.822 279.124 -88.1501 -66.3497 -168.55 177.479 PRESSAVG: 447200 39.6193 -16.0083 2.85125 -16.0082 -2.09877 -33.6953 2.85127 -33.6953 -3.80958 GPRESSAVG: 447200 38.4315 -15.0348 3.17742 -17.5656 -0.82185 -35.3925 0.574209 -34.5745 -3.7642 TIMING: 447200 CPU: 1408.35, 0.00316355/step Wall: 1408.35, 0.00316355/step, 4.00084 hours remaining, 232.105469 MB of memory in use. ENERGY: 447200 3852.8938 20531.6727 14377.0518 243.8371 -203708.2927 2582.1644 0.0000 0.0000 51830.8465 -110289.8265 297.8726 -162120.6730 -109928.1063 298.0038 143.4324 169.2386 759782.3723 11.2370 11.2818 PRESSURE: 447400 -147.764 4.0188 -122.785 4.0188 -208.805 39.3717 -122.786 39.3724 -23.8843 GPRESSURE: 447400 -123.676 66.513 -1.8813 79.8056 -115.451 94.836 -133.571 19.2281 -74.8892 PRESSAVG: 447400 8.10814 -10.7866 -18.5562 -10.7866 3.50941 -19.8195 -18.5563 -19.8195 -2.2338 GPRESSAVG: 447400 8.25618 -11.9232 -18.068 -9.78919 3.48026 -20.0093 -16.4024 -17.8721 -2.60899 TIMING: 447400 CPU: 1408.98, 0.0031411/step Wall: 1408.98, 0.0031411/step, 3.97226 hours remaining, 232.105469 MB of memory in use. ENERGY: 447400 3976.5644 20459.1875 14387.0427 233.7126 -203282.0623 2248.2069 0.0000 0.0000 51724.3804 -110252.9680 297.2607 -161977.3484 -109886.0564 297.9113 -126.8177 -104.6722 760706.7957 3.1279 3.0425 PRESSURE: 447600 13.0169 86.7285 143.326 86.7297 40.8575 67.5485 143.325 67.5478 135.615 GPRESSURE: 447600 91.783 135.233 95.3109 124.293 108.596 134.865 125.233 18.4162 67.0877 PRESSAVG: 447600 29.8713 -29.5937 -22.6947 -29.5938 -42.559 -49.9716 -22.6948 -49.9716 11.1892 GPRESSAVG: 447600 29.9021 -28.7025 -24.264 -30.5883 -43.3534 -48.3151 -22.172 -50.291 12.3114 TIMING: 447600 CPU: 1409.61, 0.00315256/step Wall: 1409.61, 0.00315256/step, 3.98659 hours remaining, 232.105469 MB of memory in use. ENERGY: 447600 3906.3466 20495.4782 14357.2423 243.0688 -203674.7192 2587.6089 0.0000 0.0000 51909.2823 -110175.6921 298.3234 -162084.9744 -109826.1136 298.0484 63.1630 89.1557 759432.6024 -0.4995 -0.3800 PRESSURE: 447800 217.022 -84.9204 128.716 -84.9198 -163.899 -181.485 128.716 -181.485 -90.337 GPRESSURE: 447800 259.452 -119.176 94.3377 -91.5415 -152.595 -217.294 32.2053 -215.413 -61.2792 PRESSAVG: 447800 38.8329 7.19832 45.4814 7.19828 -58.9508 79.6538 45.4814 79.6538 -2.83158 GPRESSAVG: 447800 39.7012 7.35692 46.142 7.70968 -58.6719 78.178 45.2103 77.9014 -4.463 TIMING: 447800 CPU: 1410.24, 0.0031498/step Wall: 1410.24, 0.0031498/step, 3.98293 hours remaining, 232.105469 MB of memory in use. ENERGY: 447800 4001.3440 20517.3034 14357.1759 268.7027 -203459.1567 2489.3192 0.0000 0.0000 51983.7906 -109841.5209 298.7516 -161825.3116 -109480.4049 298.4585 -12.4045 15.1924 759944.7927 -7.6498 -7.8113 PRESSURE: 448000 161.636 -109.567 -200.854 -109.566 -319.923 -3.44678 -200.854 -3.44647 262.284 GPRESSURE: 448000 112.222 -190.249 -182.061 29.1195 -192.807 -37.2011 -179.698 -71.959 275.072 PRESSAVG: 448000 28.6645 -58.2051 -6.68291 -58.2051 -19.3405 9.19778 -6.6829 9.19782 -8.86605 GPRESSAVG: 448000 28.8791 -59.7547 -7.2199 -58.1505 -19.3909 10.3045 -6.10359 11.919 -9.0717 TIMING: 448000 CPU: 1410.87, 0.00312876/step Wall: 1410.87, 0.00312876/step, 3.95614 hours remaining, 232.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 448000 3944.7903 20529.0512 14380.2853 238.1264 -203353.9298 2419.2210 0.0000 0.0000 52094.7425 -109747.7131 299.3892 -161842.4556 -109387.4995 298.3887 34.6656 64.8292 760661.8814 0.1526 0.1388 PRESSURE: 448200 70.4157 122.829 278.536 122.829 -155.57 -90.3457 278.537 -90.3457 -61.224 GPRESSURE: 448200 152.893 228.887 320.185 12.4854 -171.889 -90.6889 266.942 -61.2192 -44.8779 PRESSAVG: 448200 87.1277 -32.707 50.291 -32.707 -48.2117 -10.5723 50.2911 -10.5723 3.39144 GPRESSAVG: 448200 86.7353 -33.104 50.1287 -30.061 -48.5103 -10.2248 50.3661 -12.5793 4.00158 TIMING: 448200 CPU: 1411.5, 0.00314417/step Wall: 1411.5, 0.00314417/step, 3.97545 hours remaining, 232.105469 MB of memory in use. ENERGY: 448200 3987.5401 20581.4509 14363.5274 242.8384 -203043.4958 2296.9429 0.0000 0.0000 51782.2843 -109788.9119 297.5935 -161571.1962 -109424.2775 299.2711 -48.7926 -21.2914 760253.0324 14.1025 14.0755 LDB: ============= START OF LOAD BALANCING ============== 1423.9 LDB: ============== END OF LOAD BALANCING =============== 1423.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1423.9 LDB: ============= START OF LOAD BALANCING ============== 1424.21 LDB: Largest compute 7070 load 0.032637 is 16.7% of average load 0.195578 LDB: Average compute 0.004384 is 2.2% of average load 0.195578 LDB: TIME 1424.22 LOAD: AVG 0.195578 MAX 0.215404 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.09 MB LDB: TIME 1424.22 LOAD: AVG 0.195578 MAX 0.215404 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.09 MB LDB: TIME 1424.22 LOAD: AVG 0.195578 MAX 0.215404 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.09 MB LDB: ============== END OF LOAD BALANCING =============== 1424.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1424.22 PRESSURE: 448400 -44.1592 139.764 14.3844 139.764 156.829 -116.591 14.3842 -116.592 15.0067 GPRESSURE: 448400 95.3805 104.814 5.71735 89.9788 112.958 -157.361 160.28 -137.441 10.0836 PRESSAVG: 448400 46.0887 1.21374 2.6254 1.21375 -31.1261 -41.5111 2.62537 -41.5111 21.2434 GPRESSAVG: 448400 45.1895 1.44123 3.52496 -0.815878 -31.158 -42.9889 3.63795 -40.354 22.268 TIMING: 448400 CPU: 1412.14, 0.00322381/step Wall: 1412.14, 0.00322381/step, 4.07597 hours remaining, 233.601562 MB of memory in use. ENERGY: 448400 4133.4805 20535.3243 14425.0818 251.8950 -203617.6056 2605.7964 0.0000 0.0000 52009.2182 -109656.8094 298.8977 -161666.0276 -109302.9113 298.8161 42.5588 72.8073 761577.8148 12.0687 12.0998 PRESSURE: 448600 26.548 -114.716 -77.8809 -114.716 -263.3 -207.887 -77.8815 -207.887 164.762 GPRESSURE: 448600 21.2518 -75.4365 -34.1565 -138.82 -203.289 -301.218 -29.9732 -105.045 194.037 PRESSAVG: 448600 15.9531 -18.5918 -20.1943 -18.5919 -52.4363 -33.0873 -20.1943 -33.0873 -5.36878 GPRESSAVG: 448600 17.3129 -16.7503 -21.5637 -19.4237 -52.3774 -33.2343 -20.1656 -32.7279 -6.56685 TIMING: 448600 CPU: 1412.78, 0.00318792/step Wall: 1412.78, 0.00318792/step, 4.03041 hours remaining, 233.601562 MB of memory in use. ENERGY: 448600 3906.6537 20539.4656 14425.0467 243.5463 -203377.4653 2470.4858 0.0000 0.0000 52111.3141 -109680.9529 299.4844 -161792.2671 -109326.3574 299.5081 -23.9967 4.0000 761395.2480 -13.9507 -13.8771 PRESSURE: 448800 -38.0935 -45.5574 -88.5644 -45.5573 -77.1498 121.132 -88.5646 121.132 -24.8965 GPRESSURE: 448800 -101.412 -10.6462 -32.5341 -15.6297 -5.16004 70.0514 -106.341 184.369 55.5236 PRESSAVG: 448800 9.3453 2.22831 52.1795 2.22822 -59.7893 -8.97236 52.1794 -8.97229 -3.07033 GPRESSAVG: 448800 9.192 2.93694 53.6873 2.81942 -58.7476 -8.06234 50.1578 -8.86181 -3.48988 TIMING: 448800 CPU: 1413.41, 0.00315472/step Wall: 1413.41, 0.00315472/step, 3.98827 hours remaining, 233.804688 MB of memory in use. ENERGY: 448800 4015.3104 20391.5433 14384.8503 249.8338 -203872.8271 2922.3579 0.0000 0.0000 52157.0410 -109751.8903 299.7472 -161908.9313 -109391.6999 299.1962 -46.7133 -17.0163 762311.8770 -17.8381 -17.6818 PRESSURE: 449000 205.841 -72.3142 109.723 -72.3146 -127.589 118.542 109.724 118.543 -139.767 GPRESSURE: 449000 255.884 -110.804 115.442 -112.29 -116.847 164.685 117.859 67.5569 -110.528 PRESSAVG: 449000 2.05452 -5.48054 18.7302 -5.48055 -7.48953 -44.7631 18.7302 -44.7632 -6.27934 GPRESSAVG: 449000 1.54528 -6.85021 18.2238 -5.10878 -7.89023 -43.8594 19.5878 -45.3644 -5.45901 TIMING: 449000 CPU: 1414.04, 0.00317504/step Wall: 1414.04, 0.00317504/step, 4.01378 hours remaining, 233.804688 MB of memory in use. ENERGY: 449000 4080.2176 20434.7641 14407.6929 239.0024 -203582.9875 2562.5383 0.0000 0.0000 52219.1068 -109639.6654 300.1039 -161858.7722 -109268.5673 299.9197 -20.5049 9.5028 761372.5024 -3.9048 -3.9347 PRESSURE: 449200 87.0145 -21.8321 -6.17642 -21.8317 68.7565 257.26 -6.17622 257.26 459.893 GPRESSURE: 449200 177.905 16.2469 72.9111 -59.6113 144.141 178.919 -27.451 163.12 400.421 PRESSAVG: 449200 -36.1466 -38.3043 31.0723 -38.3043 -23.2005 -56.817 31.0723 -56.8169 3.96366 GPRESSAVG: 449200 -36.6813 -38.0669 30.5636 -38.1284 -22.3698 -57.5254 31.4409 -56.4684 3.78259 TIMING: 449200 CPU: 1414.68, 0.003172/step Wall: 1414.68, 0.003172/step, 4.00976 hours remaining, 233.804688 MB of memory in use. ENERGY: 449200 3937.8246 20412.8968 14324.8712 252.7055 -203216.4525 2453.1263 0.0000 0.0000 52136.1629 -109698.8652 299.6272 -161835.0281 -109335.7939 299.4805 205.2214 240.8224 760761.4763 -18.4612 -18.4228 PRESSURE: 449400 252.303 -78.9293 63.704 -78.9289 207.276 -65.552 63.7039 -65.5522 296.664 GPRESSURE: 449400 253.076 -133.15 56.7773 -71.9778 205.203 -138.685 81.6057 -15.5252 383.102 PRESSAVG: 449400 28.0655 -50.8569 32.073 -50.8569 -22.1425 11.1196 32.073 11.1196 4.83793 GPRESSAVG: 449400 28.1885 -52.497 32.5232 -51.5212 -23.1877 9.70655 31.049 10.3004 5.27798 TIMING: 449400 CPU: 1415.31, 0.00317228/step Wall: 1415.31, 0.00317228/step, 4.00994 hours remaining, 233.804688 MB of memory in use. ENERGY: 449400 3931.5927 20493.2540 14370.2686 252.4329 -203479.5413 2629.8559 0.0000 0.0000 51945.9252 -109856.2120 298.5339 -161802.1372 -109492.8681 299.3598 252.0808 280.4601 757946.9275 3.5870 3.4263 PRESSURE: 449600 -46.0295 -164.19 -132.283 -164.19 -45.0964 202.815 -132.282 202.816 94.979 GPRESSURE: 449600 -64.5903 -113.474 -105.415 -117.828 40.039 178.917 -245.521 107.896 90.8508 PRESSAVG: 449600 17.892 -0.0987886 8.13629 -0.0987883 -40.1682 17.6653 8.13631 17.6653 -6.40898 GPRESSAVG: 449600 18.5018 2.9725 7.81067 -0.557975 -41.0937 19.7968 8.73943 17.2053 -6.55259 TIMING: 449600 CPU: 1415.95, 0.00316647/step Wall: 1415.95, 0.00316647/step, 4.00241 hours remaining, 233.804688 MB of memory in use. ENERGY: 449600 3952.6590 20454.5304 14376.2342 251.6313 -203533.9206 2433.1717 0.0000 0.0000 52219.8264 -109845.8676 300.1081 -162065.6940 -109476.2423 299.4816 1.2844 22.0998 757872.0589 -9.5617 -9.7148 PRESSURE: 449800 335.585 181.581 262.094 181.581 -46.0091 45.1766 262.094 45.1761 397.577 GPRESSURE: 449800 383.694 112.195 166.39 128.269 -9.06655 42.3368 162.907 59.5132 407.141 PRESSAVG: 449800 54.949 -37.7971 -18.3518 -37.7971 -52.4305 -58.3649 -18.3518 -58.3648 13.1646 GPRESSAVG: 449800 55.3581 -39.9231 -17.5179 -35.7872 -52.4355 -60.3622 -17.2303 -58.2065 12.6423 TIMING: 449800 CPU: 1416.58, 0.00315438/step Wall: 1416.58, 0.00315438/step, 3.98696 hours remaining, 233.804688 MB of memory in use. ENERGY: 449800 3918.7153 20532.5356 14378.3481 235.0446 -203776.9749 2735.2290 0.0000 0.0000 52188.5300 -109788.5723 299.9282 -161977.1022 -109424.3897 299.2754 229.0511 260.5895 758569.6331 5.2277 5.1883 PRESSURE: 450000 138.43 38.9812 110.864 38.9818 -228.61 247.53 110.863 247.53 135.418 GPRESSURE: 450000 178.851 55.184 75.3482 -3.98566 -202.495 219.055 149.291 125.553 152.976 PRESSAVG: 450000 23.5022 -6.02525 4.63767 -6.02529 12.9127 18.5027 4.63764 18.5026 3.7782 GPRESSAVG: 450000 23.2847 -6.3544 4.30398 -6.31823 13.6037 19.5357 5.0899 17.6712 3.31639 TIMING: 450000 CPU: 1417.21, 0.00314523/step Wall: 1417.21, 0.00314523/step, 3.97522 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 450000 3973.6217 20522.7585 14379.1551 238.9988 -203937.9586 2574.2412 0.0000 0.0000 52182.6497 -110066.5336 299.8944 -162249.1833 -109691.8886 299.1878 15.0792 43.1108 757322.7524 13.3977 13.4016 PRESSURE: 450200 2.97667 29.6956 -49.1187 29.6947 -9.1325 -74.9543 -49.1194 -74.9552 185.021 GPRESSURE: 450200 41.5448 -37.8484 -95.2652 62.6658 69.5514 -27.5688 107.159 -44.0639 158.084 PRESSAVG: 450200 10.9823 -13.0073 21.643 -13.0073 -31.9085 -2.03149 21.643 -2.0316 20.7577 GPRESSAVG: 450200 10.4299 -11.1521 21.4008 -15.6599 -31.8024 -2.80013 20.953 -1.3659 20.6829 TIMING: 450200 CPU: 1417.84, 0.00315292/step Wall: 1417.84, 0.00315292/step, 3.98476 hours remaining, 233.804688 MB of memory in use. ENERGY: 450200 3969.3516 20540.6773 14356.0864 237.5809 -203830.5207 2678.4946 0.0000 0.0000 51989.2795 -110059.0503 298.7831 -162048.3298 -109694.0398 298.9351 59.6218 89.7266 756983.1733 -0.0561 -0.2299 PRESSURE: 450400 -8.51668 -81.243 176.701 -81.2434 -116.742 -19.2775 176.701 -19.2789 -171.616 GPRESSURE: 450400 32.1023 26.1453 148.765 4.38831 -72.5696 -10.1648 222.176 -114.631 -154.795 PRESSAVG: 450400 6.07087 -66.4509 -39.3677 -66.451 -51.8074 -15.8713 -39.3678 -15.8713 -8.20919 GPRESSAVG: 450400 5.88053 -66.9518 -39.0624 -66.0629 -52.439 -15.021 -40.0208 -13.8172 -7.62781 TIMING: 450400 CPU: 1418.47, 0.00318454/step Wall: 1418.47, 0.00318454/step, 4.02455 hours remaining, 233.804688 MB of memory in use. ENERGY: 450400 4040.9053 20436.8271 14389.4952 230.9846 -203594.1347 2397.8242 0.0000 0.0000 52271.9843 -109826.1140 300.4078 -162098.0983 -109467.8346 299.3276 -98.9582 -65.0875 756600.7262 -17.9819 -18.0621 PRESSURE: 450600 -40.6058 154.964 -213.923 154.964 -75.9087 134.441 -213.922 134.441 -50.3777 GPRESSURE: 450600 -2.02086 220.025 -201.876 189.262 -118.282 89.6281 -257.434 219.535 38.4342 PRESSAVG: 450600 73.8651 -23.0133 25.5283 -23.0133 -7.56888 3.42297 25.5284 3.42289 10.9431 GPRESSAVG: 450600 74.1171 -22.7454 25.2613 -23.5182 -8.40895 3.16053 24.5567 0.914867 11.7807 TIMING: 450600 CPU: 1419.11, 0.00318351/step Wall: 1419.11, 0.00318352/step, 4.02308 hours remaining, 233.804688 MB of memory in use. ENERGY: 450600 3947.7225 20576.3642 14439.4885 247.4326 -203530.6393 2427.9021 0.0000 0.0000 52223.3863 -109668.3430 300.1285 -161891.7293 -109304.7018 299.5810 -55.6307 -27.2894 759034.4846 25.7464 25.8296 PRESSURE: 450800 290.138 -63.3686 -104.097 -63.3686 -63.4674 -134.197 -104.097 -134.197 414.391 GPRESSURE: 450800 255.208 -44.4457 -53.2799 -51.8741 67.4205 -182.562 -3.98955 -126.996 401.927 PRESSAVG: 450800 13.8084 -31.1225 -38.0388 -31.1226 -41.1942 -41.0043 -38.0388 -41.0043 -5.97153 GPRESSAVG: 450800 13.3687 -29.041 -36.5256 -29.1004 -40.5646 -41.8776 -36.3579 -39.6081 -7.02705 TIMING: 450800 CPU: 1419.74, 0.00312925/step Wall: 1419.74, 0.00312925/step, 3.95433 hours remaining, 233.804688 MB of memory in use. ENERGY: 450800 4064.1184 20506.2942 14342.7940 251.6633 -204071.4028 2773.0687 0.0000 0.0000 52217.1055 -109916.3587 300.0924 -162133.4642 -109553.3459 299.7303 213.6872 241.5184 757827.3559 -11.1191 -11.4076 PRESSURE: 451000 -452.643 -95.5561 124.476 -95.5565 -447.489 110.404 124.477 110.405 -168.32 GPRESSURE: 451000 -372.06 -96.9796 189.057 -113.64 -429.416 116.472 -100.931 53.1882 -184.222 PRESSAVG: 451000 -10.4988 5.63632 -48.5048 5.63636 -28.1746 -42.6633 -48.5049 -42.6633 4.29339 GPRESSAVG: 451000 -11.0555 2.51026 -51.0745 5.76885 -27.195 -41.9264 -48.319 -43.9067 3.98324 TIMING: 451000 CPU: 1420.37, 0.00316326/step Wall: 1420.37, 0.00316326/step, 3.99713 hours remaining, 233.804688 MB of memory in use. ENERGY: 451000 4018.7781 20580.2353 14432.0186 235.6892 -203516.0178 2351.9707 0.0000 0.0000 52126.8813 -109770.4445 299.5739 -161897.3258 -109405.5624 298.9135 -356.1505 -328.5660 759840.1302 -11.4600 -11.4224 PRESSURE: 451200 -140.598 107.604 26.5021 107.603 -59.1732 -263.952 26.5021 -263.952 -214.76 GPRESSURE: 451200 -30.5043 98.9827 4.61382 -139.412 -116.93 -329.078 95.2204 -121.939 -188.948 PRESSAVG: 451200 -3.88022 -22.2792 46.2714 -22.2792 -19.8893 5.30129 46.2713 5.30128 10.9982 GPRESSAVG: 451200 -3.77742 -22.5228 47.2815 -23.3936 -19.9256 6.07349 44.6416 5.65622 10.704 TIMING: 451200 CPU: 1421, 0.00316187/step Wall: 1421, 0.00316187/step, 3.99519 hours remaining, 233.804688 MB of memory in use. ENERGY: 451200 4031.7438 20441.7177 14416.8920 248.7165 -203489.8581 2371.1791 0.0000 0.0000 52295.4222 -109684.1868 300.5425 -161979.6091 -109319.7608 299.6106 -138.1773 -112.1272 759316.1317 -4.2571 -4.3330 PRESSURE: 451400 123.583 -4.4021 -162.907 -4.40261 59.9003 214.638 -162.908 214.637 317.598 GPRESSURE: 451400 142.507 -42.0115 -109.949 -111.249 64.7385 125.068 -196.799 159.472 354.752 PRESSAVG: 451400 -22.6979 -24.9878 9.5993 -24.9878 2.04797 -9.20577 9.59926 -9.20569 23.2008 GPRESSAVG: 451400 -21.1167 -26.4336 10.7977 -24.9533 1.26165 -11.3207 10.953 -7.81072 22.5186 TIMING: 451400 CPU: 1421.64, 0.00317109/step Wall: 1421.64, 0.00317109/step, 4.00667 hours remaining, 233.804688 MB of memory in use. ENERGY: 451400 3977.8822 20455.4644 14416.1291 228.1685 -203730.2152 2554.1773 0.0000 0.0000 52182.8657 -109915.5279 299.8956 -162098.3937 -109539.5343 299.5058 167.0272 187.3324 759663.4352 0.8503 0.8878 PRESSURE: 451600 -199.493 -95.6542 5.99412 -95.6544 -188.103 102.597 5.99404 102.597 -125.964 GPRESSURE: 451600 -267.904 27.2196 -79.0011 -93.3829 -80.4205 105.187 -49.152 -9.93567 -69.7943 PRESSAVG: 451600 4.77137 10.4705 36.0512 10.4705 -33.9538 -3.05583 36.0511 -3.05579 6.8794 GPRESSAVG: 451600 2.66829 11.8839 33.7645 11.7397 -34.146 -0.323686 35.4908 -4.49672 8.55778 TIMING: 451600 CPU: 1422.26, 0.00314116/step Wall: 1422.26, 0.00314116/step, 3.96868 hours remaining, 233.804688 MB of memory in use. ENERGY: 451600 4008.0002 20561.2075 14372.4400 225.0221 -203183.6313 2183.4745 0.0000 0.0000 51935.1220 -109898.3650 298.4719 -161833.4869 -109547.6462 299.0787 -171.1867 -139.3729 760152.3127 -7.4343 -7.6400 PRESSURE: 451800 -4.3636 126.242 -118.076 126.241 87.1295 99.8048 -118.075 99.8047 340.085 GPRESSURE: 451800 -67.7422 115.811 -179.158 104.123 218.267 139.921 -95.8947 2.34817 364.659 PRESSAVG: 451800 -27.2814 -3.7087 19.1395 -3.70875 26.5024 -36.71 19.1395 -36.7101 -17.4946 GPRESSAVG: 451800 -26.1965 -5.91058 21.1481 -3.04788 26.5281 -37.381 16.8531 -37.3784 -17.6031 TIMING: 451800 CPU: 1422.89, 0.0031392/step Wall: 1422.89, 0.0031392/step, 3.96603 hours remaining, 233.804688 MB of memory in use. ENERGY: 451800 3907.6722 20338.7367 14382.2819 252.5383 -203113.4882 2170.6231 0.0000 0.0000 52044.5800 -110017.0560 299.1009 -162061.6360 -109655.0644 298.6311 140.9503 171.7279 759360.5462 -6.0912 -5.7572 PRESSURE: 452000 -517.775 150.246 121.756 150.245 167.428 -128.259 121.756 -128.258 123.594 GPRESSURE: 452000 -429.052 305.496 21.0555 85.9076 141.09 -103.903 3.11422 -83.9818 146.069 PRESSAVG: 452000 -15.805 -48.2033 -53.9571 -48.2033 5.13641 74.611 -53.9572 74.6109 -15.7444 GPRESSAVG: 452000 -15.8986 -46.5283 -54.3211 -46.8593 5.42792 74.3068 -51.6883 73.9686 -16.0751 TIMING: 452000 CPU: 1423.52, 0.00314252/step Wall: 1423.52, 0.00314252/step, 3.97005 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 452000 4034.1496 20450.2358 14361.3747 238.9608 -203479.5931 2482.9527 0.0000 0.0000 52051.7272 -109860.1923 299.1420 -161911.9195 -109503.8571 298.3393 -75.5843 -47.2972 758685.0016 -8.8043 -8.8486 PRESSURE: 452200 -95.3106 -9.57083 66.6552 -9.5709 112.74 81.826 66.6542 81.8267 38.831 GPRESSURE: 452200 -118.673 -40.8148 152.387 -63.0887 119.951 -9.88542 11.6006 145.196 146.59 PRESSAVG: 452200 4.05043 -45.3799 -22.7441 -45.3798 15.5827 -2.38252 -22.7441 -2.38263 26.8812 GPRESSAVG: 452200 2.76008 -45.0399 -22.4767 -46.8949 15.8125 -3.53777 -22.6202 1.98068 27.9831 TIMING: 452200 CPU: 1424.15, 0.00314896/step Wall: 1424.15, 0.00314896/step, 3.97801 hours remaining, 233.804688 MB of memory in use. ENERGY: 452200 3930.4005 20502.9432 14485.0430 252.3486 -203725.0077 2804.1788 0.0000 0.0000 51955.1539 -109794.9397 298.5870 -161750.0936 -109433.0775 299.1972 18.7534 49.2890 758137.8006 15.5047 15.5186 LDB: ============= START OF LOAD BALANCING ============== 1436.55 LDB: ============== END OF LOAD BALANCING =============== 1436.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1436.55 LDB: ============= START OF LOAD BALANCING ============== 1436.86 LDB: Largest compute 7025 load 0.033219 is 17.0% of average load 0.195793 LDB: Average compute 0.004363 is 2.2% of average load 0.195793 LDB: TIME 1436.87 LOAD: AVG 0.195793 MAX 0.213784 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.105 MB LDB: TIME 1436.87 LOAD: AVG 0.195793 MAX 0.213784 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.109 MB LDB: TIME 1436.87 LOAD: AVG 0.195793 MAX 0.213784 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.109 MB LDB: ============== END OF LOAD BALANCING =============== 1436.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1436.87 PRESSURE: 452400 -246.248 -169.956 54.5041 -169.955 -258.917 152.99 54.5053 152.991 478.493 GPRESSURE: 452400 -186.793 -143.777 -24.3135 -102.93 -215.498 154.353 50.8345 59.5423 483.692 PRESSAVG: 452400 10.5218 -4.99409 -57.1867 -4.99405 9.6116 36.5265 -57.1868 36.5264 -2.87867 GPRESSAVG: 452400 12.8042 -6.28111 -57.7682 -4.32479 9.27401 37.7018 -57.7313 33.0356 -4.74305 TIMING: 452400 CPU: 1424.79, 0.00320967/step Wall: 1424.79, 0.00320966/step, 4.05452 hours remaining, 232.578125 MB of memory in use. ENERGY: 452400 3966.3552 20435.8669 14366.8333 248.2649 -203193.7033 2332.6963 0.0000 0.0000 51961.5072 -109882.1796 298.6235 -161843.6868 -109522.9144 299.5286 -8.8907 27.1337 761203.2764 5.7516 5.7784 PRESSURE: 452600 -32.8794 -86.7019 -111.31 -86.7014 -180.395 139.073 -111.31 139.074 -133.663 GPRESSURE: 452600 97.9338 3.50366 -158.983 -232.357 -172.352 70.1194 -134.376 120.065 -177.434 PRESSAVG: 452600 -23.2217 -0.21863 -2.3917 -0.218721 -16.4904 24.3566 -2.3917 24.3567 -11.638 GPRESSAVG: 452600 -22.959 2.27311 -3.03687 -0.231577 -16.162 24.7353 -2.05418 25.1445 -12.4247 TIMING: 452600 CPU: 1425.42, 0.00315677/step Wall: 1425.42, 0.00315677/step, 3.98753 hours remaining, 232.617188 MB of memory in use. ENERGY: 452600 3933.6750 20413.7506 14335.1099 237.3707 -203142.8706 2320.8920 0.0000 0.0000 52063.8126 -109838.2597 299.2114 -161902.0723 -109462.6271 298.3658 -115.6458 -83.9509 760014.1410 -17.1167 -17.1819 PRESSURE: 452800 -313.112 50.0405 -117.869 50.0407 43.8687 -111.343 -117.87 -111.344 -449.533 GPRESSURE: 452800 -273.681 10.8494 -241.937 27.6133 85.5157 -36.4727 -6.49874 -125.973 -465.195 PRESSAVG: 452800 14.517 8.48324 30.8682 8.48321 34.7903 -4.94416 30.8682 -4.94416 8.54178 GPRESSAVG: 452800 13.1662 6.20156 32.7335 8.04847 34.0753 -4.66617 31.5872 -6.74922 9.81126 TIMING: 452800 CPU: 1426.05, 0.00315255/step Wall: 1426.05, 0.00315255/step, 3.98203 hours remaining, 232.617188 MB of memory in use. ENERGY: 452800 3985.8716 20360.0395 14305.0140 261.1601 -203270.4775 2223.2082 0.0000 0.0000 52290.8944 -109844.2897 300.5165 -162135.1841 -109479.0605 299.1461 -239.5922 -217.7867 759401.0075 19.2830 19.0176 PRESSURE: 453000 65.5745 73.1877 -166.007 73.1882 -216.13 -65.4451 -166.006 -65.4454 -102.242 GPRESSURE: 453000 143.338 65.2786 -186.311 70.1376 -290.489 -3.48531 -73.8541 37.3916 -11.1578 PRESSAVG: 453000 -16.676 19.6692 -35.5602 19.6694 35.809 -21.9348 -35.5601 -21.9348 2.79173 GPRESSAVG: 453000 -16.5278 20.26 -37.3288 20.2583 35.3714 -22.0165 -36.8175 -19.9785 2.47394 TIMING: 453000 CPU: 1426.69, 0.00315872/step Wall: 1426.69, 0.00315872/step, 3.98964 hours remaining, 232.617188 MB of memory in use. ENERGY: 453000 4047.0961 20408.6724 14324.0604 250.8356 -203312.9860 2520.9737 0.0000 0.0000 51866.1794 -109895.1684 298.0756 -161761.3478 -109531.2056 298.6657 -84.2657 -52.7696 761613.7021 7.3082 7.1059 PRESSURE: 453200 -242.702 38.957 94.8413 38.9572 58.9854 190.954 94.8409 190.955 152.346 GPRESSURE: 453200 -236.827 -42.8401 38.3295 107.748 94.8787 154.602 91.6433 92.1482 192.442 PRESSAVG: 453200 28.2099 -42.8673 -9.45161 -42.8673 20.7749 -14.1761 -9.45162 -14.1761 3.89664 GPRESSAVG: 453200 28.1738 -42.3022 -8.67267 -43.0809 20.7047 -14.1504 -8.39116 -14.078 4.20804 TIMING: 453200 CPU: 1427.31, 0.00314674/step Wall: 1427.31, 0.00314674/step, 3.97433 hours remaining, 232.617188 MB of memory in use. ENERGY: 453200 3988.7946 20530.5678 14336.2488 261.2406 -203392.8584 2493.8512 0.0000 0.0000 52053.6256 -109728.5297 299.1529 -161782.1553 -109366.2131 298.8822 -10.4570 16.8312 760037.5490 17.6272 17.6955 PRESSURE: 453400 -240.575 237.572 147.579 237.571 23.3045 -0.694016 147.578 -0.694152 -193.746 GPRESSURE: 453400 -220.495 206.987 152.915 101.176 74.5103 32.9953 72.6614 -165.377 -200.129 PRESSAVG: 453400 45.088 11.5772 -51.7264 11.5772 -32.4982 -9.5614 -51.7264 -9.5613 -6.2289 GPRESSAVG: 453400 44.6011 10.9816 -51.9878 12.2235 -31.7926 -9.65664 -53.7907 -12.3191 -5.77264 TIMING: 453400 CPU: 1427.94, 0.00314612/step Wall: 1427.94, 0.00314612/step, 3.97337 hours remaining, 232.617188 MB of memory in use. ENERGY: 453400 3969.7543 20603.3872 14287.4883 260.7223 -203504.1363 2473.0593 0.0000 0.0000 51953.7161 -109956.0090 298.5787 -161909.7250 -109599.4246 298.8310 -137.0054 -115.3712 760382.4065 2.1203 2.3453 PRESSURE: 453600 -143.281 -80.03 -61.3649 -80.0291 10.8506 151.409 -61.366 151.411 197.753 GPRESSURE: 453600 -8.43639 -82.9457 -128.394 -31.5258 -48.3259 92.8423 -60.3166 207.194 213.306 PRESSAVG: 453600 -19.2678 20.395 -4.38578 20.3951 46.0291 -34.5686 -4.38579 -34.5686 -9.65184 GPRESSAVG: 453600 -18.2287 18.7174 -5.57133 19.9214 45.3071 -34.395 -2.67037 -31.8614 -9.36023 TIMING: 453600 CPU: 1428.57, 0.00315116/step Wall: 1428.57, 0.00315116/step, 3.97957 hours remaining, 232.617188 MB of memory in use. ENERGY: 453600 3968.2020 20500.7497 14340.4912 247.2194 -203364.8012 2283.1855 0.0000 0.0000 52081.5458 -109943.4076 299.3134 -162024.9534 -109583.1100 298.9902 21.7741 52.1811 758915.6267 5.7032 5.9060 PRESSURE: 453800 253.016 -11.4639 32.5432 -11.4644 -72.2435 71.6535 32.5426 71.6541 -236.213 GPRESSURE: 453800 238.493 70.5034 27.7931 -46.5096 -21.2634 84.7702 -35.6145 53.1221 -175.458 PRESSAVG: 453800 -26.9578 -1.66125 -22.535 -1.66123 -10.1341 -56.5112 -22.535 -56.5112 29.0042 GPRESSAVG: 453800 -27.903 -1.93377 -21.7355 -0.622979 -8.97947 -56.2204 -21.9777 -56.4963 28.5131 TIMING: 453800 CPU: 1429.2, 0.00312944/step Wall: 1429.2, 0.00312944/step, 3.95196 hours remaining, 232.617188 MB of memory in use. ENERGY: 453800 3965.7301 20350.9796 14446.5748 260.1801 -203794.9921 2709.8735 0.0000 0.0000 52101.5082 -109960.1457 299.4281 -162061.6540 -109586.2894 298.8247 -18.4802 13.9235 758728.3804 -2.6959 -2.7898 PRESSURE: 454000 -106.82 54.4221 -34.2003 54.4216 -17.7458 -61.8432 -34.1998 -61.8433 -349.25 GPRESSURE: 454000 -175.083 2.47924 -50.6057 -15.4235 30.247 -65.2764 -38.2834 -153.96 -243.81 PRESSAVG: 454000 29.8298 -10.6905 -22.635 -10.6905 -23.2599 40.2835 -22.635 40.2835 -13.5022 GPRESSAVG: 454000 31.3214 -9.91842 -23.2172 -12.0491 -24.8957 39.7292 -23.2019 39.068 -12.7734 TIMING: 454000 CPU: 1429.83, 0.00315849/step Wall: 1429.83, 0.00315849/step, 3.98848 hours remaining, 232.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 454000 3986.0226 20557.5955 14368.7145 249.9615 -202869.8642 2140.4598 0.0000 0.0000 51783.8273 -109783.2831 297.6024 -161567.1104 -109423.6612 298.8231 -157.9386 -129.5485 760637.8964 -2.3108 -2.1159 PRESSURE: 454200 -117.428 -133.783 122.917 -133.783 26.919 -6.30862 122.917 -6.30787 171.681 GPRESSURE: 454200 2.16887 -130.213 124.864 -101.21 65.8067 -29.9995 7.2631 43.2016 86.8787 PRESSAVG: 454200 -0.861032 4.32274 -32.8679 4.32266 32.6908 -49.3168 -32.868 -49.3168 -2.0681 GPRESSAVG: 454200 -0.716549 4.47517 -31.9103 4.07767 33.6927 -49.0742 -32.5931 -49.085 -3.70972 TIMING: 454200 CPU: 1430.46, 0.00313487/step Wall: 1430.46, 0.00313487/step, 3.95847 hours remaining, 232.617188 MB of memory in use. ENERGY: 454200 3984.5248 20463.8005 14355.4493 249.7199 -203192.2343 2479.0205 0.0000 0.0000 51961.0336 -109698.6858 298.6208 -161659.7194 -109342.2215 299.2815 27.0570 51.6181 761078.3035 9.9205 9.7555 PRESSURE: 454400 -224.185 201.32 -168.14 201.318 -6.23733 105.811 -168.139 105.811 107.009 GPRESSURE: 454400 -133.362 99.7904 -177.483 224.242 -74.7219 17.0696 26.3003 7.86838 148.093 PRESSAVG: 454400 -2.82957 -27.4211 -10.4352 -27.4211 -3.10133 18.6625 -10.4352 18.6624 13.5255 GPRESSAVG: 454400 -2.56686 -26.0697 -9.41896 -27.1033 -3.62812 17.4908 -11.2402 17.4172 13.6827 TIMING: 454400 CPU: 1431.09, 0.00313959/step Wall: 1431.09, 0.00313959/step, 3.96425 hours remaining, 232.617188 MB of memory in use. ENERGY: 454400 3994.1201 20415.5717 14399.5039 254.9985 -203355.7236 2442.6236 0.0000 0.0000 52198.6790 -109650.2269 299.9865 -161848.9059 -109286.2993 299.1777 -41.1378 -19.9971 760559.1221 2.5315 2.4959 PRESSURE: 454600 -181.847 -55.473 -1.36834 -55.4721 -186.746 56.3457 -1.36926 56.3448 376.504 GPRESSURE: 454600 -147.764 -258.025 54.0306 -7.46166 -156.129 63.2247 -11.0152 -4.02431 383.067 PRESSAVG: 454600 -19.9378 -4.00667 -10.8392 -4.00666 17.5297 -36.7488 -10.8393 -36.7487 16.273 GPRESSAVG: 454600 -20.8952 -6.17487 -12.5487 -3.22072 17.9611 -37.2191 -8.99622 -34.6134 16.3157 TIMING: 454600 CPU: 1431.71, 0.00311564/step Wall: 1431.71, 0.00311564/step, 3.93384 hours remaining, 232.617188 MB of memory in use. ENERGY: 454600 4040.5607 20640.0339 14357.9982 247.3389 -203612.3558 2665.8512 0.0000 0.0000 51974.2161 -109686.3567 298.6965 -161660.5728 -109331.1901 299.0349 2.6366 26.3914 760585.1306 4.6216 4.4605 PRESSURE: 454800 -264.835 17.0093 72.5897 17.0093 -103.001 -292.45 72.5887 -292.45 -162.59 GPRESSURE: 454800 -219.478 150.431 101.995 65.4126 16.4326 -240.307 28.1797 -82.0478 -224.09 PRESSAVG: 454800 -35.1667 24.8147 9.58312 24.8147 -37.4555 -15.3942 9.58301 -15.3942 0.220374 GPRESSAVG: 454800 -34.5892 26.633 10.2379 23.9536 -37.1248 -13.7738 7.25557 -18.0059 -0.728016 TIMING: 454800 CPU: 1432.34, 0.00314587/step Wall: 1432.34, 0.00314587/step, 3.97184 hours remaining, 232.617188 MB of memory in use. ENERGY: 454800 3979.3173 20469.3049 14363.9469 240.5828 -203195.5603 2528.8111 0.0000 0.0000 52095.7141 -109517.8833 299.3948 -161613.5973 -109158.2043 299.1160 -176.8086 -142.3785 761756.0317 -24.1340 -24.1473 PRESSURE: 455000 -9.41918 -73.7597 44.1732 -73.7604 -110.417 -95.229 44.1733 -95.2288 298.588 GPRESSURE: 455000 -65.2128 -77.7055 45.8447 -62.7339 0.429255 -176.265 -34.7933 -13.0967 322.912 PRESSAVG: 455000 -4.06967 -7.34927 9.97505 -7.34929 -19.0006 7.01473 9.97502 7.01474 -5.9602 GPRESSAVG: 455000 -5.73274 -8.4146 8.82437 -7.48805 -19.0716 7.78381 11.8435 9.3623 -4.55463 TIMING: 455000 CPU: 1432.97, 0.00314562/step Wall: 1432.97, 0.00314562/step, 3.97135 hours remaining, 232.617188 MB of memory in use. ENERGY: 455000 3905.8161 20465.1889 14373.7645 251.0552 -203434.5960 2647.9989 0.0000 0.0000 52221.5068 -109569.2657 300.1177 -161790.7725 -109205.8498 299.3515 59.5841 86.0430 760570.0812 -9.6768 -9.7863 PRESSURE: 455200 280.935 -139.545 -178.891 -139.544 -1.48447 137.6 -178.892 137.6 336.544 GPRESSURE: 455200 332.237 -100.238 -200.648 -81.1524 -14.4224 175.042 -163.467 213.344 393.385 PRESSAVG: 455200 41.7481 -27.4951 -20.281 -27.4951 -19.2732 0.173177 -20.281 0.173105 31.0808 GPRESSAVG: 455200 41.3877 -26.7945 -18.4546 -27.7948 -18.6602 -0.00564881 -20.1753 0.321489 31.2475 TIMING: 455200 CPU: 1433.59, 0.00311877/step Wall: 1433.59, 0.00311877/step, 3.93727 hours remaining, 232.617188 MB of memory in use. ENERGY: 455200 3999.1897 20452.2015 14311.1924 228.3092 -203093.2516 2431.6767 0.0000 0.0000 52121.8257 -109548.8564 299.5448 -161670.6821 -109183.6059 299.0957 205.3313 237.0665 760470.2283 17.8519 17.9916 PRESSURE: 455400 106.863 79.4956 245.161 79.4962 163.487 203.249 245.161 203.249 314.834 GPRESSURE: 455400 191.148 61.3732 306.765 49.3799 179.511 117.289 339.806 204.122 290.803 PRESSAVG: 455400 16.5795 -7.37054 -44.9476 -7.37056 7.48347 -7.96418 -44.9475 -7.96422 16.7934 GPRESSAVG: 455400 18.5269 -10.0016 -45.6354 -5.64488 6.38443 -7.83343 -46.7402 -8.56216 15.5523 TIMING: 455400 CPU: 1434.22, 0.00312417/step Wall: 1434.22, 0.00312418/step, 3.94392 hours remaining, 232.617188 MB of memory in use. ENERGY: 455400 3975.5559 20468.4021 14299.3049 263.0664 -203946.1756 3009.2672 0.0000 0.0000 52486.6291 -109443.9499 301.6414 -161930.5791 -109068.6877 299.3292 195.0616 220.4874 759125.5574 13.6188 13.4879 PRESSURE: 455600 158.977 -7.80778 6.27233 -7.80691 175.732 63.8594 6.27253 63.8597 66.7152 GPRESSURE: 455600 181.755 -57.6725 -24.2508 13.647 188.93 46.1207 50.1992 -29.5489 133.013 PRESSAVG: 455600 10.2956 39.0186 -50.5114 39.0185 22.7065 33.0882 -50.5115 33.0883 19.1476 GPRESSAVG: 455600 9.77703 40.797 -50.0971 38.812 22.0654 32.3627 -51.4122 31.581 20.1602 TIMING: 455600 CPU: 1434.85, 0.00316502/step Wall: 1434.85, 0.00316502/step, 3.99531 hours remaining, 232.617188 MB of memory in use. ENERGY: 455600 3985.4652 20669.6902 14337.9603 240.2301 -203916.5776 2794.3888 0.0000 0.0000 52403.1220 -109485.7210 301.1615 -161888.8430 -109133.1162 300.2181 133.8082 167.8994 760925.5692 17.3832 17.3342 PRESSURE: 455800 -163.174 79.2674 -17.7748 79.2676 -15.5117 42.9659 -17.7746 42.9653 -467.043 GPRESSURE: 455800 -118.805 -66.9023 -30.5532 131.105 -6.70502 51.427 -5.37338 118.818 -445.872 PRESSAVG: 455800 6.19176 9.82341 -28.4351 9.82342 -27.6547 -23.7096 -28.435 -23.7097 -5.69559 GPRESSAVG: 455800 6.87131 9.98562 -28.8261 8.97801 -27.2767 -23.3767 -25.624 -22.7139 -6.1807 TIMING: 455800 CPU: 1435.48, 0.00313406/step Wall: 1435.48, 0.00313406/step, 3.95606 hours remaining, 232.617188 MB of memory in use. ENERGY: 455800 3935.8497 20666.0853 14364.4562 237.5333 -203138.7707 2432.8002 0.0000 0.0000 52230.9344 -109271.1115 300.1719 -161502.0459 -108910.1431 300.0663 -215.2432 -190.4605 762127.4571 -9.0528 -8.8620 PRESSURE: 456000 -78.6842 84.7922 148.605 84.7928 145.552 333.437 148.605 333.438 249.615 GPRESSURE: 456000 -3.93087 59.6291 85.7368 163.011 172.879 398.311 162.787 255.32 242.821 PRESSAVG: 456000 -0.705173 -16.7839 4.41586 -16.7839 -31.0037 -42.708 4.41582 -42.708 13.1802 GPRESSAVG: 456000 -1.10601 -17.6984 3.17736 -16.4298 -29.7619 -41.887 5.06988 -43.6856 11.8686 TIMING: 456000 CPU: 1436.1, 0.00312921/step Wall: 1436.1, 0.00312921/step, 3.94976 hours remaining, 232.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 456000 3952.4569 20789.1709 14447.8651 264.2173 -202793.9147 2319.3674 0.0000 0.0000 52040.7834 -108980.0537 299.0791 -161020.8371 -108626.8552 300.4021 105.4941 137.2562 761013.5959 -6.1763 -6.3331 PRESSURE: 456200 356.947 6.90138 -83.317 6.90169 0.410124 40.2541 -83.318 40.2541 121.038 GPRESSURE: 456200 365.225 97.0132 -96.4145 71.4921 47.4775 -4.41879 -0.786451 58.3099 163.904 PRESSAVG: 456200 -4.57762 -13.9068 55.3733 -13.9068 9.65642 48.2706 55.3733 48.2706 7.23869 GPRESSAVG: 456200 -5.15555 -11.5944 56.8588 -14.6353 10.5162 46.1596 53.2057 50.8567 7.48341 TIMING: 456200 CPU: 1436.73, 0.00312529/step Wall: 1436.73, 0.00312529/step, 3.94464 hours remaining, 232.617188 MB of memory in use. ENERGY: 456200 4012.2622 20621.3657 14432.5916 245.3334 -203424.2197 2704.3123 0.0000 0.0000 52558.6986 -108849.6560 302.0556 -161408.3546 -108487.3958 301.0736 159.4652 192.2019 758338.0126 4.1058 4.2814 LDB: ============= START OF LOAD BALANCING ============== 1449.12 LDB: ============== END OF LOAD BALANCING =============== 1449.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1449.13 LDB: ============= START OF LOAD BALANCING ============== 1449.44 LDB: Largest compute 7025 load 0.033594 is 17.2% of average load 0.195672 LDB: Average compute 0.004385 is 2.2% of average load 0.195672 LDB: TIME 1449.44 LOAD: AVG 0.195672 MAX 0.215453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.43 MB LDB: TIME 1449.45 LOAD: AVG 0.195672 MAX 0.215453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.434 MB LDB: TIME 1449.45 LOAD: AVG 0.195672 MAX 0.215453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.434 MB LDB: ============== END OF LOAD BALANCING =============== 1449.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1449.45 PRESSURE: 456400 -49.1228 149.749 -231.859 149.75 -50.5123 125.508 -231.859 125.508 358.357 GPRESSURE: 456400 -39.4581 166.134 -150.121 -6.27465 -27.2901 206.848 -164.253 180.214 408.453 PRESSAVG: 456400 64.5985 0.987575 -3.98124 0.987563 -25.4578 11.1583 -3.98123 11.1583 6.0824 GPRESSAVG: 456400 65.0226 -1.82062 -4.31387 2.79754 -27.078 13.4231 -3.79443 9.02917 7.39163 TIMING: 456400 CPU: 1437.37, 0.00321177/step Wall: 1437.37, 0.00321177/step, 4.05361 hours remaining, 233.089844 MB of memory in use. ENERGY: 456400 3962.5954 20548.3899 14404.7371 272.9720 -203358.8808 2827.4932 0.0000 0.0000 52396.4633 -108946.2298 301.1232 -161342.6931 -108584.4723 301.0253 86.2407 113.9016 760690.3770 15.0744 15.1121 PRESSURE: 456600 -121.738 94.5765 107.246 94.5757 247.185 91.1743 107.246 91.1738 6.13869 GPRESSURE: 456600 -88.2901 48.4011 167.86 19.9581 369.399 15.4756 -60.3787 2.15058 -74.2762 PRESSAVG: 456600 13.1399 -21.0599 17.3236 -21.0599 -42.5443 43.3057 17.3236 43.3058 -12.4489 GPRESSAVG: 456600 13.8104 -18.8297 19.0853 -23.8184 -42.595 42.6446 17.1148 43.6899 -12.9201 TIMING: 456600 CPU: 1438, 0.00315449/step Wall: 1438, 0.00315449/step, 3.98115 hours remaining, 233.089844 MB of memory in use. ENERGY: 456600 4019.6537 20646.4745 14330.0579 243.7469 -203556.4526 2811.9597 0.0000 0.0000 52246.8284 -109257.7316 300.2632 -161504.5599 -108893.4265 300.5476 43.8618 68.9441 761835.0681 -13.9511 -13.9016 PRESSURE: 456800 -249.348 -13.9654 -2.29532 -13.966 -250.415 -10.2325 -2.29615 -10.2323 222.304 GPRESSURE: 456800 -190.528 -47.3724 -26.2703 80.0443 -219.164 42.7353 57.7254 70.9905 200.224 PRESSAVG: 456800 -18.6287 -14.8826 25.2068 -14.8827 -15.7143 51.8463 25.2067 51.8463 13.2752 GPRESSAVG: 456800 -19.1711 -16.9084 23.2647 -13.1154 -13.8976 50.8464 26.6576 53.7907 12.209 TIMING: 456800 CPU: 1438.63, 0.0031605/step Wall: 1438.63, 0.0031605/step, 3.98855 hours remaining, 233.089844 MB of memory in use. ENERGY: 456800 3988.3625 20541.9851 14452.3376 246.0498 -202885.2521 1944.1144 0.0000 0.0000 52450.2878 -109262.1148 301.4325 -161712.4026 -108877.0186 300.2992 -92.4866 -69.8227 759758.4343 -7.0226 -6.9532 PRESSURE: 457000 365.102 -41.6851 -263.633 -41.686 47.4487 -43.238 -263.634 -43.2385 133.063 GPRESSURE: 457000 318.676 22.4053 -301.666 -84.6044 100.726 10.4188 -201.737 -71.6935 197.467 PRESSAVG: 457000 -49.8256 -35.6267 -23.9668 -35.6267 33.3024 2.87716 -23.9668 2.87712 6.92538 GPRESSAVG: 457000 -49.2926 -36.5588 -22.0911 -36.7928 30.797 5.11007 -24.3259 1.01934 8.55221 TIMING: 457000 CPU: 1439.26, 0.00314965/step Wall: 1439.26, 0.00314965/step, 3.97469 hours remaining, 233.089844 MB of memory in use. ENERGY: 457000 3910.3646 20540.1933 14412.6413 233.5014 -203023.2464 2428.2571 0.0000 0.0000 52270.2538 -109228.0349 300.3979 -161498.2887 -108853.8094 300.3323 181.8714 205.6233 761800.3107 -3.1993 -3.3145 PRESSURE: 457200 101.042 7.91512 -20.884 7.91547 249.201 251.817 -20.8844 251.817 30.5664 GPRESSURE: 457200 145.591 41.7213 -18.5398 29.9288 359.519 195.628 -56.4094 339.06 -29.9012 PRESSAVG: 457200 6.00749 -35.0183 0.645439 -35.0182 11.8259 -3.66556 0.645477 -3.66562 -2.92802 GPRESSAVG: 457200 4.8611 -32.6483 -1.85522 -36.0066 13.1535 -5.08473 0.453519 -5.5978 -3.99121 TIMING: 457200 CPU: 1439.89, 0.00313669/step Wall: 1439.89, 0.00313669/step, 3.95815 hours remaining, 233.089844 MB of memory in use. ENERGY: 457200 3976.9947 20526.3484 14362.7271 247.7754 -203360.7162 2674.1332 0.0000 0.0000 52261.7561 -109310.9813 300.3490 -161572.7374 -108955.7560 299.7914 126.9365 158.4029 761544.4795 4.9685 4.6745 PRESSURE: 457400 -80.0369 -22.1666 -2.04589 -22.1657 -2.84067 62.0178 -2.04631 62.0172 8.95799 GPRESSURE: 457400 -23.6885 -72.0084 -72.8382 -28.6153 6.36695 50.3841 -42.889 136.846 46.7668 PRESSAVG: 457400 28.7666 -28.0317 62.6086 -28.0316 46.4997 13.6152 62.6085 13.6152 -22.8931 GPRESSAVG: 457400 27.9235 -29.821 63.9652 -26.2549 47.6466 13.7092 61.8285 14.2538 -22.8749 TIMING: 457400 CPU: 1440.52, 0.00313801/step Wall: 1440.52, 0.00313801/step, 3.95964 hours remaining, 233.089844 MB of memory in use. ENERGY: 457400 4003.4436 20456.5576 14448.1866 249.9725 -202881.7240 2391.1167 0.0000 0.0000 52051.4426 -109281.0043 299.1404 -161332.4470 -108918.4023 300.0415 -24.6399 9.8151 760462.3011 17.4577 17.5651 PRESSURE: 457600 167.708 21.3865 151.863 21.3867 268.457 0.995724 151.864 0.994823 361.672 GPRESSURE: 457600 218.967 44.386 136.371 29.4836 306.819 57.277 83.3342 -112.586 362.613 PRESSAVG: 457600 -56.289 4.49328 -4.61336 4.49329 44.5572 20.3372 -4.61335 20.337 11.6795 GPRESSAVG: 457600 -54.6528 7.68306 -4.37585 4.7124 43.3504 20.6149 -5.004 22.5118 10.716 TIMING: 457600 CPU: 1441.15, 0.00314192/step Wall: 1441.15, 0.00314192/step, 3.96441 hours remaining, 233.089844 MB of memory in use. ENERGY: 457600 3921.6985 20541.9147 14379.9965 240.2028 -203464.8760 2688.6672 0.0000 0.0000 52248.4114 -109443.9847 300.2723 -161692.3961 -109085.2583 299.6837 265.9454 296.1329 759980.6076 -0.0174 -0.1954 PRESSURE: 457800 22.4645 60.8144 46.5828 60.8154 67.6243 -40.7096 46.582 -40.7091 -286.171 GPRESSURE: 457800 -25.8465 -62.5217 67.1252 -5.27582 162.272 -55.0349 -10.0277 -136.246 -255.019 PRESSAVG: 457800 -12.393 -56.8472 25.1176 -56.8472 41.361 -23.1414 25.1176 -23.1414 -5.29658 GPRESSAVG: 457800 -12.969 -60.6005 26.0401 -59.2869 40.5556 -22.8567 25.6603 -26.3261 -3.97293 TIMING: 457800 CPU: 1441.77, 0.00311752/step Wall: 1441.77, 0.00311752/step, 3.93345 hours remaining, 233.089844 MB of memory in use. ENERGY: 457800 4045.1978 20456.9726 14398.5381 283.2224 -203525.6875 2587.0597 0.0000 0.0000 52437.3172 -109317.3797 301.3580 -161754.6969 -108946.5473 300.1496 -65.3608 -39.5311 761065.7535 7.8905 7.8712 PRESSURE: 458000 -159.166 -145.025 74.689 -145.025 21.3497 -166.622 74.689 -166.621 119.42 GPRESSURE: 458000 -5.18255 -32.6641 89.0133 -297.095 -55.1239 -122.395 40.3264 -101.143 116.864 PRESSAVG: 458000 -31.7176 -55.2869 10.3512 -55.2869 27.7321 7.28916 10.3513 7.28927 -1.584 GPRESSAVG: 458000 -30.1333 -53.2789 9.66443 -53.2614 27.796 8.55712 10.4898 6.91738 -3.33658 TIMING: 458000 CPU: 1442.39, 0.0031159/step Wall: 1442.39, 0.0031159/step, 3.93122 hours remaining, 233.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 458000 3886.2959 20701.9831 14482.5780 237.3749 -203278.8074 2613.7024 0.0000 0.0000 51971.2565 -109385.6165 298.6795 -161356.8730 -109024.2248 299.8000 -6.1319 18.8526 761280.5883 -1.8565 -1.8913 PRESSURE: 458200 72.4393 -51.0311 -122.482 -51.0309 -39.2863 99.753 -122.482 99.7529 -135.514 GPRESSURE: 458200 98.061 -48.0806 6.75286 -26.8519 71.7273 80.6593 -91.6345 191.102 -146.515 PRESSAVG: 458200 34.262 -13.0114 4.26822 -13.0114 13.2956 12.3564 4.26828 12.3564 -10.5491 GPRESSAVG: 458200 31.9422 -16.483 4.81848 -12.2069 14.4353 10.3625 1.94561 15.3125 -9.78074 TIMING: 458200 CPU: 1443.02, 0.00313013/step Wall: 1443.02, 0.00313013/step, 3.94901 hours remaining, 233.089844 MB of memory in use. ENERGY: 458200 3958.6626 20548.7966 14444.3434 239.4524 -203284.4899 2443.5901 0.0000 0.0000 52145.1861 -109504.4588 299.6791 -161649.6448 -109145.8909 299.7741 -34.1204 7.7579 759932.5395 12.3361 12.1989 PRESSURE: 458400 -227.744 13.4911 -93.0697 13.4911 -0.111789 16.6818 -93.0696 16.6825 34.2006 GPRESSURE: 458400 -100.515 42.0126 -91.23 112.798 -42.2404 32.9987 -108.178 -81.6241 51.6172 PRESSAVG: 458400 30.9391 -38.6742 7.27312 -38.6742 -18.447 -10.3166 7.27311 -10.3167 13.5055 GPRESSAVG: 458400 31.2947 -35.685 7.17941 -38.4103 -20.2014 -8.82494 9.24091 -12.1594 14.5439 TIMING: 458400 CPU: 1443.65, 0.00314375/step Wall: 1443.65, 0.00314375/step, 3.96602 hours remaining, 233.089844 MB of memory in use. ENERGY: 458400 3993.6893 20607.9935 14450.7735 255.6720 -203599.0567 2643.2761 0.0000 0.0000 52088.4324 -109559.2200 299.3529 -161647.6524 -109202.7637 299.5218 -64.5518 -30.3794 760210.1070 8.6658 8.5457 PRESSURE: 458600 -32.6722 -231.418 141.476 -231.418 1.66152 47.475 141.476 47.4743 207.096 GPRESSURE: 458600 -43.7317 -258.696 158.946 -210.546 -6.4831 32.8351 124.341 91.5303 300.586 PRESSAVG: 458600 -66.4387 -73.2181 14.7168 -73.218 66.6693 -51.5399 14.7168 -51.5398 -16.8665 GPRESSAVG: 458600 -66.7462 -74.5023 13.7134 -74.9166 66.9654 -52.0323 15.1453 -50.5766 -17.1633 TIMING: 458600 CPU: 1444.28, 0.00316832/step Wall: 1444.28, 0.00316832/step, 3.99684 hours remaining, 233.089844 MB of memory in use. ENERGY: 458600 3982.0581 20629.0140 14388.9855 245.4067 -203281.8277 2298.6047 0.0000 0.0000 52145.7970 -109591.9617 299.6826 -161737.7587 -109231.9193 299.1243 58.6951 83.4569 759682.2724 -5.5453 -5.6480 PRESSURE: 458800 -114.219 -178.909 105.264 -178.91 -110.961 146.575 105.264 146.574 19.2357 GPRESSURE: 458800 -76.8924 -276.713 117.632 -92.8739 -45.1206 13.8366 -11.9047 204.067 -13.1134 PRESSAVG: 458800 -69.8329 -78.5264 39.7597 -78.5264 68.9744 -15.26 39.7596 -15.26 -35.5782 GPRESSAVG: 458800 -70.1302 -78.0837 40.8315 -79.6442 68.9264 -15.6908 38.8043 -14.481 -35.5607 TIMING: 458800 CPU: 1444.91, 0.00314535/step Wall: 1444.91, 0.00314535/step, 3.96769 hours remaining, 233.089844 MB of memory in use. ENERGY: 458800 4003.6627 20564.0735 14408.2835 247.6731 -203930.3582 2839.5924 0.0000 0.0000 52126.5747 -109740.4982 299.5721 -161867.0730 -109369.7825 299.3385 -68.6483 -45.0421 760682.2497 -12.1456 -12.2548 PRESSURE: 459000 -24.1961 26.9851 -140.273 26.9861 -274.449 6.82101 -140.273 6.82249 59.7128 GPRESSURE: 459000 -17.2948 63.2057 -116.174 9.65697 -179.025 46.4151 -79.614 -142.563 53.0789 PRESSAVG: 459000 10.3568 -75.8683 -60.1935 -75.8684 28.51 -3.74493 -60.1935 -3.74487 -16.6863 GPRESSAVG: 459000 11.8317 -74.7071 -60.2187 -73.4302 27.6984 -3.99111 -58.583 -6.20553 -17.0717 TIMING: 459000 CPU: 1445.54, 0.00315319/step Wall: 1445.54, 0.00315319/step, 3.9774 hours remaining, 233.089844 MB of memory in use. ENERGY: 459000 3972.5739 20464.8460 14388.2368 237.4736 -203603.5068 2571.8880 0.0000 0.0000 52015.6104 -109952.8781 298.9344 -161968.4885 -109573.8095 298.8646 -79.6442 -47.7471 761213.3935 7.3935 7.4861 PRESSURE: 459200 -268.942 -54.1052 100.17 -54.1045 -10.1974 104.915 100.17 104.915 -63.8701 GPRESSURE: 459200 -168.018 -110.502 15.5011 -133.764 66.0102 83.1033 121.254 111.336 -158.213 PRESSAVG: 459200 8.1657 -44.8548 -70.6127 -44.8548 20.8001 11.0486 -70.6128 11.0487 -0.568929 GPRESSAVG: 459200 6.44885 -46.1519 -71.0109 -45.7936 22.8727 11.3414 -73.2515 13.4748 -0.965361 TIMING: 459200 CPU: 1446.17, 0.00315556/step Wall: 1446.17, 0.00315556/step, 3.98022 hours remaining, 233.089844 MB of memory in use. ENERGY: 459200 4022.3443 20598.0209 14503.8224 234.8576 -203331.6738 2245.0263 0.0000 0.0000 51889.9310 -109837.6711 298.2121 -161727.6021 -109469.7901 298.6423 -114.3364 -86.7401 760759.1800 9.4656 9.4521 PRESSURE: 459400 -324.517 -234.75 10.4388 -234.75 365.889 -178.068 10.4388 -178.068 -90.0141 GPRESSURE: 459400 -167.302 -200.445 -29.3603 -209.421 300.04 -96.8349 -34.8179 -111.067 -96.4547 PRESSAVG: 459400 9.31014 -55.3297 31.2311 -55.3297 -17.8937 -24.2774 31.2312 -24.2774 5.58163 GPRESSAVG: 459400 9.91287 -54.7388 31.1028 -54.35 -20.1389 -24.4529 31.8099 -24.7135 7.61354 TIMING: 459400 CPU: 1446.8, 0.00312084/step Wall: 1446.8, 0.00312084/step, 3.93625 hours remaining, 233.089844 MB of memory in use. ENERGY: 459400 3979.3180 20560.3095 14459.9545 254.3425 -203394.5759 2449.2141 0.0000 0.0000 51871.6333 -109819.8041 298.1070 -161691.4374 -109457.8360 298.9395 -16.2139 12.0944 761919.8707 -1.0007 -0.8708 PRESSURE: 459600 -1.30084 96.2284 127.351 96.2291 52.101 -17.2899 127.351 -17.29 -90.998 GPRESSURE: 459600 -9.28638 37.2872 156.374 276.312 125.798 -54.5471 88.1199 18.2693 -72.7244 PRESSAVG: 459600 32.0645 -17.0346 -20.8689 -17.0346 3.23113 -10.1877 -20.8689 -10.1877 -8.20565 GPRESSAVG: 459600 32.4344 -16.6235 -22.65 -18.2472 4.68652 -11.1248 -21.2833 -11.9636 -9.96813 TIMING: 459600 CPU: 1447.42, 0.00314213/step Wall: 1447.42, 0.00314213/step, 3.96292 hours remaining, 233.089844 MB of memory in use. ENERGY: 459600 3955.3173 20516.8485 14440.6500 241.4508 -203671.7792 2554.1885 0.0000 0.0000 52097.4936 -109865.8304 299.4050 -161963.3240 -109493.4169 299.0946 -13.3993 14.5958 760024.2415 9.0300 9.0509 PRESSURE: 459800 131.816 54.7129 -80.2436 54.7133 -169.746 -112.378 -80.2434 -112.378 -437.866 GPRESSURE: 459800 115.53 -28.0626 -109.631 59.9654 -145.109 -67.8451 -144.118 26.3676 -364.98 PRESSAVG: 459800 -3.42799 -39.9815 -28.3954 -39.9815 17.7069 -46.9218 -28.3954 -46.9219 -13.5656 GPRESSAVG: 459800 -4.2181 -42.3186 -27.7913 -37.7954 17.3346 -46.4646 -27.3115 -45.5433 -12.6273 TIMING: 459800 CPU: 1448.05, 0.00313692/step Wall: 1448.05, 0.00313692/step, 3.95617 hours remaining, 233.089844 MB of memory in use. ENERGY: 459800 4019.9377 20487.1886 14500.3928 244.5259 -203340.8855 2251.6848 0.0000 0.0000 52011.6107 -109825.5449 298.9114 -161837.1556 -109476.6095 298.9228 -158.5988 -131.5198 762102.2676 0.2378 0.1631 PRESSURE: 460000 -270.59 -54.6051 -239 -54.6052 -29.5756 -133.547 -239 -133.547 -290.365 GPRESSURE: 460000 -274.147 -70.5508 -260.213 -3.82584 74.4773 -211.193 -158.775 -125.11 -299.288 PRESSAVG: 460000 40.7274 -58.4599 -16.0347 -58.4599 -29.992 -87.5612 -16.0347 -87.5612 -23.6115 GPRESSAVG: 460000 41.6176 -56.2995 -16.0403 -60.0721 -30.1036 -87.3444 -15.8813 -87.2255 -24.2514 TIMING: 460000 CPU: 1448.68, 0.00314123/step Wall: 1448.68, 0.00314123/step, 3.96144 hours remaining, 233.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 460000 3992.4400 20473.4674 14385.0875 216.0003 -203948.5382 2762.0734 0.0000 0.0000 52257.3490 -109862.1207 300.3237 -162119.4697 -109498.1204 299.0670 -196.8435 -166.3194 761713.1955 -4.2920 -4.2458 PRESSURE: 460200 -48.8619 140.866 -90.7758 140.866 54.6832 46.7649 -90.7755 46.766 -136.447 GPRESSURE: 460200 -111.715 160.281 -139.423 9.27391 126.392 46.7689 -41.9409 -89.7496 -75.6908 PRESSAVG: 460200 -9.87358 -19.9319 -47.3184 -19.9318 34.2316 13.0402 -47.3183 13.0402 13.5477 GPRESSAVG: 460200 -10.1086 -19.5238 -48.6251 -21.0099 34.9002 13.6726 -46.9337 13.9995 12.7232 TIMING: 460200 CPU: 1449.31, 0.00314018/step Wall: 1449.31, 0.00314018/step, 3.95995 hours remaining, 233.089844 MB of memory in use. ENERGY: 460200 4063.8764 20496.5809 14404.2837 242.5535 -203709.0973 2614.8006 0.0000 0.0000 51978.0895 -109908.9127 298.7188 -161887.0023 -109547.1392 299.0483 -43.5418 -20.3381 760238.4461 12.6352 12.5049 LDB: ============= START OF LOAD BALANCING ============== 1461.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1461.71 LDB: =============== DONE WITH MIGRATION ================ 1461.71 LDB: ============= START OF LOAD BALANCING ============== 1462.03 LDB: Largest compute 7042 load 0.031770 is 16.2% of average load 0.195733 LDB: Average compute 0.004366 is 2.2% of average load 0.195733 LDB: TIME 1462.03 LOAD: AVG 0.195733 MAX 0.21572 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.113 MB LDB: TIME 1462.03 LOAD: AVG 0.195733 MAX 0.21572 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.113 MB LDB: TIME 1462.03 LOAD: AVG 0.195733 MAX 0.21572 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.113 MB LDB: ============== END OF LOAD BALANCING =============== 1462.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1462.04 PRESSURE: 460400 232.702 -116.124 49.9013 -116.124 -1.41025 -70.1933 49.9018 -70.1935 94.8111 GPRESSURE: 460400 234.589 -82.5559 13.7605 -128.805 66.2053 -90.5298 50.6076 -188.831 128.138 PRESSAVG: 460400 17.0771 -32.4989 9.29659 -32.4989 -31.8496 -21.7706 9.29653 -21.7707 7.76723 GPRESSAVG: 460400 17.1192 -33.0879 9.36657 -32.1359 -33.109 -21.7628 7.49501 -23.2051 8.67887 TIMING: 460400 CPU: 1449.95, 0.00323123/step Wall: 1449.95, 0.00323123/step, 4.07458 hours remaining, 233.863281 MB of memory in use. ENERGY: 460400 3929.5519 20514.1779 14452.2270 265.2080 -203449.2573 2580.9987 0.0000 0.0000 51884.7464 -109822.3473 298.1824 -161707.0937 -109464.3764 299.2657 108.7010 142.9774 760585.0922 -2.3351 -2.4370 PRESSURE: 460600 -168.687 -28.441 -117.176 -28.4412 -167.318 -21.2689 -117.176 -21.2694 -97.4046 GPRESSURE: 460600 -161.504 -23.1711 -105.828 91.4415 -121.593 -32.8262 -53.4669 -58.3402 -41.8708 PRESSAVG: 460600 16.9675 -50.4881 -28.7491 -50.488 -23.8336 -35.038 -28.749 -35.0381 35.8346 GPRESSAVG: 460600 17.0425 -49.4799 -26.6734 -49.3846 -23.0703 -35.1891 -27.6272 -36.3843 34.6913 TIMING: 460600 CPU: 1450.58, 0.00313271/step Wall: 1450.58, 0.00313271/step, 3.95017 hours remaining, 234.125000 MB of memory in use. ENERGY: 460600 3994.1941 20291.7814 14402.2952 236.3194 -203622.2405 2432.0196 0.0000 0.0000 52153.7844 -110111.8463 299.7285 -162265.6307 -109746.3678 299.0015 -144.4697 -108.3225 759722.4450 9.6562 9.5545 PRESSURE: 460800 9.17855 8.12401 151.457 8.12427 164.958 116.513 151.457 116.514 -100.121 GPRESSURE: 460800 54.792 2.46985 106.573 -144.433 151.995 32.3109 129.748 89.1764 -44.145 PRESSAVG: 460800 -28.2301 5.94853 4.73864 5.94852 -27.1963 -34.0605 4.7387 -34.0605 -4.03259 GPRESSAVG: 460800 -29.0208 4.49738 5.27511 6.69989 -28.1811 -34.1172 5.92149 -35.1541 -2.67808 TIMING: 460800 CPU: 1451.21, 0.00315478/step Wall: 1451.21, 0.00315478/step, 3.97783 hours remaining, 234.125000 MB of memory in use. ENERGY: 460800 3907.5291 20508.7259 14347.8897 244.4026 -203540.9181 2590.5559 0.0000 0.0000 51904.8451 -110036.9697 298.2979 -161941.8148 -109668.4001 298.5487 24.6718 54.2141 758986.6611 -19.8197 -19.9600 PRESSURE: 461000 -152.87 -10.3506 158.382 -10.35 -180.696 -36.4557 158.382 -36.456 -86.8122 GPRESSURE: 461000 -47.4447 -104.569 153.233 13.3465 -165.612 -37.4821 172.263 128.773 -115.029 PRESSAVG: 461000 -6.0762 10.889 24.871 10.8889 -1.83946 31.8319 24.871 31.8319 -15.6098 GPRESSAVG: 461000 -5.14739 11.2405 23.3231 8.25372 -2.22043 31.8777 25.0874 36.5269 -16.0884 TIMING: 461000 CPU: 1451.84, 0.00316028/step Wall: 1451.84, 0.00316028/step, 3.98458 hours remaining, 234.144531 MB of memory in use. ENERGY: 461000 3960.0467 20467.3038 14382.9673 239.0489 -203579.6964 2491.0944 0.0000 0.0000 51928.0342 -110111.2011 298.4311 -162039.2353 -109748.6984 298.1816 -140.1262 -109.3618 758841.3124 -7.8418 -7.8187 PRESSURE: 461200 -225.011 -83.1739 280.086 -83.1741 157.041 -2.49603 280.086 -2.49555 68.1781 GPRESSURE: 461200 -158.147 -69.5909 258.005 -101.739 175.939 45.1654 223.086 -95.8457 83.7372 PRESSAVG: 461200 -17.8036 -82.5938 -24.9862 -82.5938 3.48586 -7.19609 -24.9861 -7.19607 14.6492 GPRESSAVG: 461200 -17.7321 -81.0957 -25.1729 -84.3565 3.21786 -5.75482 -27.1476 -9.86135 14.766 TIMING: 461200 CPU: 1452.47, 0.00313501/step Wall: 1452.47, 0.00313501/step, 3.95256 hours remaining, 234.144531 MB of memory in use. ENERGY: 461200 3976.7750 20401.7565 14455.2967 246.4636 -203565.6637 2519.6158 0.0000 0.0000 51829.0185 -110136.7377 297.8621 -161965.7562 -109774.8661 298.2493 0.0693 33.8430 760002.4693 0.1105 0.0839 PRESSURE: 461400 351.217 39.1713 -173.5 39.1715 -191.651 72.3377 -173.499 72.3381 42.3915 GPRESSURE: 461400 270.771 -0.71916 -162.089 48.6058 -19.6425 142.423 -218.418 42.7149 34.2115 PRESSAVG: 461400 -42.9509 -12.2422 -6.05895 -12.2422 22.9897 2.68525 -6.05898 2.68522 38.5521 GPRESSAVG: 461400 -43.7364 -12.3043 -4.88873 -8.25541 24.1227 1.34986 -6.1686 2.61026 38.555 TIMING: 461400 CPU: 1453.1, 0.00314079/step Wall: 1453.1, 0.00314079/step, 3.95967 hours remaining, 234.144531 MB of memory in use. ENERGY: 461400 3933.8378 20456.5940 14497.2035 268.8109 -203526.5610 2480.6457 0.0000 0.0000 51816.4357 -110073.0333 297.7898 -161889.4690 -109713.6925 298.6311 67.3191 95.1135 760665.2323 6.1970 6.3138 PRESSURE: 461600 108.775 -101.379 -135.589 -101.378 207.466 -110.507 -135.589 -110.506 -340.823 GPRESSURE: 461600 165.509 -154.248 -68.0166 -128.628 207.116 -36.8148 -137.101 -185.504 -316.668 PRESSAVG: 461600 12.9899 -61.4967 16.7196 -61.4967 31.6032 -17.82 16.7196 -17.8201 -13.7325 GPRESSAVG: 461600 13.1733 -63.0331 15.5332 -62.0371 30.744 -16.768 16.5491 -18.3982 -13.1537 TIMING: 461600 CPU: 1453.72, 0.00312238/step Wall: 1453.72, 0.00312238/step, 3.93628 hours remaining, 234.144531 MB of memory in use. ENERGY: 461600 3949.9200 20564.6360 14436.8083 252.3387 -203678.2982 2560.2142 0.0000 0.0000 51892.9887 -110021.3923 298.2297 -161914.3809 -109649.5173 299.2965 -8.1940 18.6526 757386.5341 10.2869 10.2545 PRESSURE: 461800 148.218 142.577 15.9443 142.577 119.263 39.2934 15.9447 39.2932 555.442 GPRESSURE: 461800 85.5256 170.409 -69.6189 187.561 261.849 -41.1341 -94.5103 -28.0615 551.267 PRESSAVG: 461800 -4.68728 -16.4237 21.5816 -16.4236 5.06649 5.80823 21.5817 5.80822 40.6633 GPRESSAVG: 461800 -4.39715 -16.1126 19.9875 -14.474 5.95004 4.78579 26.6949 5.00991 39.6466 TIMING: 461800 CPU: 1454.35, 0.00313403/step Wall: 1454.35, 0.00313403/step, 3.95079 hours remaining, 234.214844 MB of memory in use. ENERGY: 461800 3974.9686 20584.1998 14347.9538 241.2649 -203462.5052 2363.4165 0.0000 0.0000 51886.6857 -110064.0160 298.1935 -161950.7016 -109703.3907 298.5591 274.3075 299.5469 757409.5828 13.6808 13.7332 PRESSURE: 462000 -261.568 27.3478 -196.449 27.3469 392.317 74.8584 -196.448 74.8575 -350.607 GPRESSURE: 462000 -116.195 44.1303 -136.848 -8.07376 313.577 53.8259 -254.426 -58.6412 -326.452 PRESSAVG: 462000 -5.82446 -22.6594 -29.441 -22.6594 -12.4418 -40.1632 -29.441 -40.1631 13.5642 GPRESSAVG: 462000 -5.71662 -22.7625 -27.4712 -25.2432 -11.9288 -41.4348 -34.7327 -38.4472 13.6093 TIMING: 462000 CPU: 1454.98, 0.00312793/step Wall: 1454.98, 0.00312793/step, 3.94293 hours remaining, 234.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 462000 4006.9721 20508.6376 14388.2351 251.1282 -203536.1644 2403.0302 0.0000 0.0000 51958.0389 -110020.1223 298.6036 -161978.1612 -109663.1718 299.0130 -73.2860 -43.0232 758557.4870 -1.5673 -1.3454 PRESSURE: 462200 95.6192 -213.165 -6.34021 -213.165 -55.4465 -90.6988 -6.33903 -90.6976 -180.646 GPRESSURE: 462200 169.638 -229.741 6.74966 -141.676 -4.52786 3.6658 -50.9614 -176.499 -193.017 PRESSAVG: 462200 32.7908 -15.1457 -27.1185 -15.1457 19.8448 -25.4807 -27.1185 -25.4807 0.71163 GPRESSAVG: 462200 32.6358 -14.9951 -28.392 -16.1085 19.9384 -24.8723 -27.4243 -26.3196 0.613871 TIMING: 462200 CPU: 1455.6, 0.0031259/step Wall: 1455.6, 0.0031259/step, 3.9402 hours remaining, 234.214844 MB of memory in use. ENERGY: 462200 3992.1678 20413.1930 14433.4545 250.8661 -203992.7379 2627.8992 0.0000 0.0000 52141.0180 -110134.1394 299.6551 -162275.1574 -109761.0856 298.4465 -46.8244 -9.3022 757874.5716 17.7824 17.7294 PRESSURE: 462400 -563.075 130.021 -108.945 130.021 -237.342 -302.983 -108.945 -302.983 -420.274 GPRESSURE: 462400 -453.115 133.865 56.5565 102.781 -255.1 -198.166 -125.047 -302.898 -415.716 PRESSAVG: 462400 -16.6374 -1.59994 6.06233 -1.60002 -2.89905 -72.0531 6.06238 -72.053 -5.14646 GPRESSAVG: 462400 -16.6897 0.997922 7.19988 -3.14201 -3.01817 -70.8671 7.88708 -72.0078 -4.68047 TIMING: 462400 CPU: 1456.23, 0.00315353/step Wall: 1456.23, 0.00315353/step, 3.97484 hours remaining, 234.214844 MB of memory in use. ENERGY: 462400 4046.3892 20424.5965 14405.2727 240.7855 -203255.0482 2082.9258 0.0000 0.0000 51999.0083 -110056.0701 298.8390 -162055.0784 -109690.2610 298.6614 -406.8970 -374.6435 760387.0764 -8.2276 -8.1294 PRESSURE: 462600 55.202 177.088 -299.035 177.087 -155.733 -66.9928 -299.034 -66.9925 107.115 GPRESSURE: 462600 -24.9846 210.602 -203.617 194.092 -63.458 1.49983 -226.542 -66.2022 164.353 PRESSAVG: 462600 38.5545 -18.7358 -33.2195 -18.7358 -35.6037 -19.5632 -33.2195 -19.5632 -3.3002 GPRESSAVG: 462600 37.6677 -21.9373 -34.7312 -15.6357 -35.1518 -20.3631 -32.683 -18.422 -2.97095 TIMING: 462600 CPU: 1456.87, 0.00317226/step Wall: 1456.87, 0.00317226/step, 3.99828 hours remaining, 234.214844 MB of memory in use. ENERGY: 462600 3950.9835 20443.1182 14403.3296 227.4308 -203300.4222 2426.6513 0.0000 0.0000 51736.0183 -110112.8905 297.3276 -161848.9088 -109753.4820 298.2577 2.1948 25.3036 760855.8431 -0.1165 -0.1517 PRESSURE: 462800 240.34 -179.209 199.612 -179.209 171.398 -67.4075 199.612 -67.4087 -244.657 GPRESSURE: 462800 212.109 -174.446 163.987 -63.0626 251.823 -94.1036 212.37 -264.251 -198.301 PRESSAVG: 462800 -0.988218 -8.09652 -19.9818 -8.09653 18.1851 -33.296 -19.9817 -33.2961 1.06377 GPRESSAVG: 462800 -1.04851 -6.21801 -19.0749 -7.27264 18.5841 -32.5937 -21.889 -33.5509 1.13263 TIMING: 462800 CPU: 1457.51, 0.00320116/step Wall: 1457.51, 0.00320116/step, 4.03453 hours remaining, 234.214844 MB of memory in use. ENERGY: 462800 4033.6665 20467.0699 14410.6638 242.4892 -203910.6547 2386.6051 0.0000 0.0000 52023.0352 -110347.1250 298.9771 -162370.1602 -109987.3462 298.2821 55.6936 88.5436 757547.0041 6.0869 6.2228 PRESSURE: 463000 -120.311 91.8875 79.6115 91.8871 83.0725 -167.96 79.6113 -167.96 -166.212 GPRESSURE: 463000 -15.2926 13.793 123.226 35.146 97.1335 -208.934 53.2424 -82.8006 -199.721 PRESSAVG: 463000 -43.0432 -56.3993 49.6576 -56.3993 50.2276 -68.2271 49.6577 -68.2272 10.2011 GPRESSAVG: 463000 -40.7254 -57.7343 48.0375 -59.1772 49.342 -69.2926 51.7787 -68.039 8.98495 TIMING: 463000 CPU: 1458.14, 0.00315944/step Wall: 1458.14, 0.00315944/step, 3.98177 hours remaining, 234.214844 MB of memory in use. ENERGY: 463000 4056.9279 20356.4253 14365.5029 252.1020 -203396.2924 2364.6259 0.0000 0.0000 51781.8582 -110218.8502 297.5911 -162000.7084 -109849.8788 298.4410 -67.8169 -39.2934 758572.2661 5.7952 5.8672 PRESSURE: 463200 -36.2781 -245.644 105.603 -245.644 -485.925 -125.16 105.603 -125.159 -281.373 GPRESSURE: 463200 16.8132 -306.986 75.7539 -137.612 -429.68 -133.351 164.358 10.108 -314.459 PRESSAVG: 463200 12.7137 -28.1681 32.6173 -28.1681 -21.774 -16.2004 32.6174 -16.2004 9.14893 GPRESSAVG: 463200 11.7152 -27.7587 32.697 -24.9077 -21.1261 -16.7323 33.1706 -17.2094 9.19517 TIMING: 463200 CPU: 1458.77, 0.00314341/step Wall: 1458.77, 0.00314341/step, 3.9614 hours remaining, 234.214844 MB of memory in use. ENERGY: 463200 4001.3520 20461.1189 14369.7983 237.5352 -203684.0842 2446.4787 0.0000 0.0000 52095.8289 -110071.9723 299.3954 -162167.8012 -109700.4609 298.3084 -267.8585 -242.4418 759362.2051 0.0295 -0.0719 PRESSURE: 463400 -8.65882 -107.967 -64.7845 -107.967 -416.602 -28.6182 -64.7841 -28.6186 398.081 GPRESSURE: 463400 48.9967 -17.7867 -73.9631 -69.7153 -319.428 99.0077 15.3179 -14.0192 363.357 PRESSAVG: 463400 -34.2241 -1.65639 -37.5115 -1.65642 38.1014 -16.5092 -37.5116 -16.5092 -9.6708 GPRESSAVG: 463400 -34.7301 -2.55466 -37.3012 -2.07159 38.8846 -16.1607 -37.2044 -16.9261 -9.81142 TIMING: 463400 CPU: 1459.41, 0.00320872/step Wall: 1459.41, 0.00320873/step, 4.04353 hours remaining, 234.214844 MB of memory in use. ENERGY: 463400 3944.2371 20492.4655 14420.8789 237.7252 -203757.7497 2728.9039 0.0000 0.0000 51901.0572 -110032.4819 298.2761 -161933.5391 -109670.7577 298.6525 -9.0600 30.9753 759313.9264 -1.9312 -1.8856 PRESSURE: 463600 -209.212 -136.53 -89.9459 -136.531 -147.303 -15.6658 -89.9461 -15.6664 -474.218 GPRESSURE: 463600 -119.207 -106.695 -56.7856 -232.678 -167.629 -29.6489 -76.476 4.88327 -460.695 PRESSAVG: 463600 41.7193 -72.1777 -36.6835 -72.1776 -35.126 -55.3967 -36.6835 -55.3967 -5.05813 GPRESSAVG: 463600 41.5426 -71.3181 -35.3199 -72.2009 -36.476 -54.0276 -38.9418 -54.1494 -3.21187 TIMING: 463600 CPU: 1460.04, 0.00315428/step Wall: 1460.04, 0.00315428/step, 3.97474 hours remaining, 234.214844 MB of memory in use. ENERGY: 463600 3986.8189 20589.2913 14395.9758 255.8047 -203457.4686 2392.2497 0.0000 0.0000 51770.6452 -110066.6831 297.5266 -161837.3283 -109708.8807 298.4377 -276.9110 -249.1768 761753.5433 0.5118 0.6182 PRESSURE: 463800 -146.554 66.9502 -147.586 66.9494 -426.041 90.271 -147.586 90.2712 -52.9947 GPRESSURE: 463800 -46.8655 40.9956 -144.564 185.362 -470.208 70.7482 -51.5325 -138.382 -39.61 PRESSAVG: 463800 22.8465 -66.2688 -53.9261 -66.2688 -28.7467 -28.5205 -53.9261 -28.5205 -5.97059 GPRESSAVG: 463800 22.7268 -65.9943 -53.2908 -66.0693 -27.4917 -30.1845 -54.8978 -29.5079 -6.52281 TIMING: 463800 CPU: 1460.67, 0.00315973/step Wall: 1460.67, 0.00315973/step, 3.98143 hours remaining, 234.214844 MB of memory in use. ENERGY: 463800 3957.5264 20702.7820 14401.9178 247.9703 -203844.0611 2501.6107 0.0000 0.0000 52217.9595 -109814.2943 300.0973 -162032.2538 -109455.8717 298.4977 -208.5297 -185.5612 760474.8484 -3.9569 -3.7626 PRESSURE: 464000 270.271 -51.7588 -46.9078 -51.7587 242.053 -149.335 -46.9072 -149.335 3.41929 GPRESSURE: 464000 264.415 -79.3872 -102.178 -87.3247 253.848 -169.49 54.2716 -132.894 79.3786 PRESSAVG: 464000 25.8829 -40.6719 -60.6571 -40.6719 -43.8833 -71.4968 -60.6571 -71.4968 -10.0019 GPRESSAVG: 464000 25.2704 -42.6892 -61.5851 -40.167 -44.0115 -71.6844 -59.5802 -71.3763 -9.24514 TIMING: 464000 CPU: 1461.3, 0.00316225/step Wall: 1461.3, 0.00316225/step, 3.98444 hours remaining, 234.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 464000 3990.6764 20668.9781 14452.3578 249.0913 -203231.5904 2490.9984 0.0000 0.0000 51847.5095 -109531.9790 297.9683 -161379.4885 -109178.4971 299.3920 171.9145 199.2139 760816.3805 -9.3341 -9.3287 PRESSURE: 464200 -445.412 -107.137 -112.088 -107.137 -125.194 53.8616 -112.089 53.8613 -77.889 GPRESSURE: 464200 -375.675 -67.5754 -51.8478 -46.3309 -156.086 -21.3543 -106.696 197.797 -49.0946 PRESSAVG: 464200 -15.4206 -36.6094 1.77885 -36.6094 -0.532963 -6.72326 1.77881 -6.72334 -3.73865 GPRESSAVG: 464200 -15.4642 -34.4332 1.2149 -37.6364 -0.618038 -8.29764 1.29719 -6.60668 -3.63739 TIMING: 464200 CPU: 1461.93, 0.00313259/step Wall: 1461.93, 0.00313259/step, 3.94688 hours remaining, 234.214844 MB of memory in use. ENERGY: 464200 4025.0693 20554.2592 14434.2227 240.6508 -202967.3427 2119.8029 0.0000 0.0000 51993.3268 -109600.0111 298.8064 -161593.3378 -109241.3264 299.4215 -216.1651 -193.6184 760747.9984 -6.5641 -6.5732 LDB: ============= START OF LOAD BALANCING ============== 1474.33 LDB: ============== END OF LOAD BALANCING =============== 1474.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1474.33 LDB: ============= START OF LOAD BALANCING ============== 1474.64 LDB: Largest compute 7070 load 0.033106 is 16.9% of average load 0.195760 LDB: Average compute 0.004374 is 2.2% of average load 0.195760 LDB: TIME 1474.65 LOAD: AVG 0.19576 MAX 0.215112 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.586 MB LDB: TIME 1474.65 LOAD: AVG 0.19576 MAX 0.215112 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.625 MB LDB: TIME 1474.65 LOAD: AVG 0.19576 MAX 0.215112 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.625 MB LDB: ============== END OF LOAD BALANCING =============== 1474.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1474.66 PRESSURE: 464400 71.8107 -71.8989 -184.633 -71.898 -203.827 -125.045 -184.633 -125.045 -125.536 GPRESSURE: 464400 45.9473 -75.4718 -117.545 -61.4851 -135.262 -263.58 6.36746 -272.48 -75.4996 PRESSAVG: 464400 -0.0881843 7.29989 -8.14582 7.29989 -19.4395 -19.2057 -8.14589 -19.2057 -5.50911 GPRESSAVG: 464400 0.457855 7.08956 -8.78939 8.78124 -19.6765 -17.4087 -6.08951 -19.3081 -5.68116 TIMING: 464400 CPU: 1462.57, 0.00321014/step Wall: 1462.57, 0.00321014/step, 4.04443 hours remaining, 232.585938 MB of memory in use. ENERGY: 464400 3944.4605 20593.1684 14382.0293 237.5903 -203569.9777 2616.5932 0.0000 0.0000 52262.6747 -109533.4613 300.3543 -161796.1360 -109169.5761 299.3278 -85.8509 -54.9380 760090.2748 -8.3456 -8.2999 PRESSURE: 464600 -157.318 -1.04405 151.852 -1.04472 -89.5884 296.138 151.851 296.137 -153.419 GPRESSURE: 464600 -98.672 42.9273 127.84 38.1653 -81.6541 277.424 67.6303 291.755 -164.377 PRESSAVG: 464600 34.6429 -22.2251 -32.6903 -22.225 -12.2127 -14.8959 -32.6904 -14.8959 -26.4546 GPRESSAVG: 464600 33.7846 -21.7863 -31.8208 -23.4438 -12.3837 -14.225 -34.07 -16.2659 -26.3013 TIMING: 464600 CPU: 1463.2, 0.00315306/step Wall: 1463.2, 0.00315306/step, 3.97233 hours remaining, 232.812500 MB of memory in use. ENERGY: 464600 3944.9129 20363.3152 14393.3808 235.2359 -203038.1150 2368.3022 0.0000 0.0000 51992.0482 -109740.9199 298.7990 -161732.9681 -109378.2593 299.0526 -133.4419 -114.9010 761521.8331 -1.3415 -1.6335 PRESSURE: 464800 5.80192 -96.3311 32.0708 -96.33 -355.851 -64.2123 32.0701 -64.211 -183.287 GPRESSURE: 464800 -79.3258 -28.1713 28.1672 -154.177 -229.63 -44.4103 38.9971 -88.6355 -138.373 PRESSAVG: 464800 10.8693 -49.6834 -34.0576 -49.6834 -28.8789 40.1015 -34.0576 40.1016 -1.97239 GPRESSAVG: 464800 9.87377 -48.2641 -32.666 -49.5016 -27.623 38.4102 -34.6535 41.7969 -2.69701 TIMING: 464800 CPU: 1463.83, 0.00313238/step Wall: 1463.83, 0.00313238/step, 3.94611 hours remaining, 232.812500 MB of memory in use. ENERGY: 464800 3989.9386 20480.1149 14453.2472 229.6254 -203169.2281 2345.0895 0.0000 0.0000 52218.7976 -109452.4149 300.1021 -161671.2125 -109084.5738 299.6689 -177.7789 -149.1097 761060.0851 -6.6607 -6.8154 PRESSURE: 465000 -378.358 47.9283 49.1555 47.9285 -145.153 -67.7424 49.1549 -67.7418 -79.551 GPRESSURE: 465000 -241.957 15.5666 27.9728 -38.0393 -135.968 -21.2152 170.419 -50.7452 -146.857 PRESSAVG: 465000 62.1345 -35.8893 -13.6304 -35.8894 -27.3214 20.0674 -13.6304 20.0673 -6.1372 GPRESSAVG: 465000 64.0018 -36.6253 -14.0425 -35.5632 -28.3699 21.3015 -13.068 18.1969 -6.216 TIMING: 465000 CPU: 1464.46, 0.00313955/step Wall: 1464.46, 0.00313955/step, 3.95495 hours remaining, 232.781250 MB of memory in use. ENERGY: 465000 3973.2248 20353.0549 14383.1394 252.3183 -203137.9661 2275.6375 0.0000 0.0000 52246.9387 -109653.6523 300.2639 -161900.5911 -109280.0225 299.6035 -201.0208 -174.9272 760631.9085 9.5586 9.8053 PRESSURE: 465200 -22.9521 40.7315 -84.6263 40.7324 -273.495 -47.5147 -84.6258 -47.516 -172.093 GPRESSURE: 465200 -129.634 51.4418 -56.0098 -26.6329 -171.727 -61.5195 -207.759 -37.7289 -100.474 PRESSAVG: 465200 6.30488 8.2566 -32.2061 8.25664 9.04128 -19.1521 -32.2061 -19.1522 15.1983 GPRESSAVG: 465200 4.58085 8.72623 -31.8293 8.22447 10.0938 -20.8119 -34.0588 -18.1248 16.09 TIMING: 465200 CPU: 1465.09, 0.00313824/step Wall: 1465.09, 0.00313824/step, 3.95313 hours remaining, 232.781250 MB of memory in use. ENERGY: 465200 4040.2828 20461.2183 14413.0976 239.9446 -203080.4214 2404.9753 0.0000 0.0000 51961.2970 -109559.6058 298.6223 -161520.9028 -109198.4499 299.2679 -156.1801 -133.9450 759819.7719 10.1815 10.2549 PRESSURE: 465400 161.504 62.7659 -42.3709 62.7661 -0.315531 87.643 -42.3701 87.6422 -248.347 GPRESSURE: 465400 112.411 4.38796 -33.708 95.5925 84.705 147.468 -76.2021 78.6071 -192.369 PRESSAVG: 465400 -1.65336 -10.0695 -6.6538 -10.0695 -11.9608 -51.0977 -6.65379 -51.0977 -4.02398 GPRESSAVG: 465400 -0.591477 -11.455 -7.94817 -9.48407 -12.7584 -48.6623 -5.58903 -51.8657 -4.43186 TIMING: 465400 CPU: 1465.71, 0.00311925/step Wall: 1465.71, 0.00311925/step, 3.92904 hours remaining, 232.812500 MB of memory in use. ENERGY: 465400 3992.9449 20456.0432 14462.9802 237.8296 -202911.0546 2377.1335 0.0000 0.0000 51727.3383 -109656.7850 297.2777 -161384.1233 -109292.9571 299.3384 -29.0531 1.5825 760344.3622 -5.8794 -5.9272 PRESSURE: 465600 320.745 -86.2923 -102.314 -86.293 -196.735 -93.9451 -102.314 -93.9453 196.294 GPRESSURE: 465600 344.912 -128.932 -84.5067 -24.2455 -200.768 -98.1186 -166.466 -205.806 241.912 PRESSAVG: 465600 3.64218 -42.3824 6.30826 -42.3824 -7.59631 1.83121 6.30822 1.83119 2.67028 GPRESSAVG: 465600 1.93001 -43.3132 5.7271 -41.8512 -6.80492 0.509493 6.73975 0.904459 3.59027 TIMING: 465600 CPU: 1466.34, 0.00314972/step Wall: 1466.34, 0.00314972/step, 3.96725 hours remaining, 232.812500 MB of memory in use. ENERGY: 465600 3977.2558 20464.7713 14466.5329 242.7361 -204097.8604 2866.0427 0.0000 0.0000 52241.4139 -109839.1078 300.2321 -162080.5217 -109475.6387 299.3459 106.7677 128.6851 758600.7841 -0.4279 -0.4282 PRESSURE: 465800 164.805 -34.1086 27.1827 -34.1091 55.569 43.8401 27.1822 43.8399 249.14 GPRESSURE: 465800 173.73 38.714 102.73 -148.959 146.167 90.1166 48.5675 9.8194 222.006 PRESSAVG: 465800 56.9705 -2.38039 13.2264 -2.38045 -84.7371 4.82368 13.2264 4.82374 0.0119218 GPRESSAVG: 465800 58.8455 -0.0774796 13.3338 -2.44668 -84.6499 5.46788 13.4553 7.37597 -1.75373 TIMING: 465800 CPU: 1466.97, 0.00313562/step Wall: 1466.97, 0.00313562/step, 3.94931 hours remaining, 232.812500 MB of memory in use. ENERGY: 465800 3986.2779 20433.4716 14462.8645 226.8279 -203361.7466 2407.9736 0.0000 0.0000 52018.1044 -109826.2266 298.9488 -161844.3310 -109456.2332 299.1789 156.5047 180.6343 761327.3893 -9.2516 -9.1860 PRESSURE: 466000 -130.647 -122.719 -283.713 -122.719 -19.3324 -227.153 -283.714 -227.153 58.923 GPRESSURE: 466000 -99.889 -47.8158 -256.814 -74.4827 33.4376 -125.427 -388.097 -264.384 54.7595 PRESSAVG: 466000 10.5838 -61.3893 -30.741 -61.3893 6.0624 -27.9076 -30.7411 -27.9075 -4.40705 GPRESSAVG: 466000 10.5823 -60.4801 -29.4377 -62.6655 6.0479 -28.8727 -30.2877 -28.7201 -4.44601 TIMING: 466000 CPU: 1467.6, 0.00315996/step Wall: 1467.6, 0.00315996/step, 3.9798 hours remaining, 232.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 466000 3951.8894 20394.3029 14457.3650 259.8328 -203684.6266 2612.3107 0.0000 0.0000 51925.0188 -110083.9069 298.4138 -162008.9258 -109722.2952 298.6974 -30.3522 -3.8973 759455.0869 4.0797 4.0614 PRESSURE: 466200 -227.032 84.5734 255.314 84.5735 -350.519 42.8906 255.314 42.8903 159.321 GPRESSURE: 466200 -195.457 56.7505 282.529 24.6319 -236.91 95.6661 227.685 139.014 105.162 PRESSAVG: 466200 27.9879 -56.3682 -21.2954 -56.3683 13.3965 -8.27008 -21.2954 -8.27008 -25.3623 GPRESSAVG: 466200 27.5073 -58.9074 -22.0926 -54.9114 12.6448 -8.23415 -22.0942 -7.29894 -23.8047 TIMING: 466200 CPU: 1468.23, 0.00316754/step Wall: 1468.23, 0.00316754/step, 3.98916 hours remaining, 232.812500 MB of memory in use. ENERGY: 466200 4012.3807 20412.0389 14490.3899 242.0377 -203390.6966 2342.9579 0.0000 0.0000 51830.7502 -110060.1414 297.8720 -161890.8916 -109700.8043 298.2215 -139.4100 -109.0684 760340.4388 5.3407 5.4491 PRESSURE: 466400 173.731 14.8074 363.201 14.8072 52.1405 82.9136 363.2 82.9142 99.2526 GPRESSURE: 466400 170.502 9.66273 286.602 76.2394 115.084 46.5256 343.424 181.882 103.776 PRESSAVG: 466400 -7.63087 -17.0278 57.3347 -17.0278 0.558339 -4.44228 57.3347 -4.44232 5.8424 GPRESSAVG: 466400 -8.9175 -16.1729 57.3569 -18.7339 2.47235 -5.14373 57.0581 -6.10794 4.93142 TIMING: 466400 CPU: 1468.87, 0.00317645/step Wall: 1468.87, 0.00317645/step, 4.00021 hours remaining, 232.812500 MB of memory in use. ENERGY: 466400 4025.9059 20511.8272 14461.1955 259.5598 -203845.7985 2784.1849 0.0000 0.0000 51748.3544 -110054.7708 297.3985 -161803.1252 -109687.8788 298.1201 108.3747 129.7875 759445.3894 -0.4100 -0.5046 PRESSURE: 466600 -123.607 -23.1218 -21.5065 -23.1216 -342.569 -67.374 -21.5073 -67.3761 -232.931 GPRESSURE: 466600 -105.826 -18.1945 -42.9987 -71.6764 -233.453 -59.7503 -100.263 -121.793 -277.435 PRESSAVG: 466600 36.3229 -27.295 43.1817 -27.2949 -59.6049 -26.1036 43.1816 -26.1036 -26.3836 GPRESSAVG: 466600 38.0483 -27.8549 43.4033 -26.6085 -61.6172 -26.2404 43.7848 -27.1745 -25.61 TIMING: 466600 CPU: 1469.5, 0.00315097/step Wall: 1469.5, 0.00315097/step, 3.96794 hours remaining, 232.812500 MB of memory in use. ENERGY: 466600 4003.0821 20437.9581 14409.6168 236.5066 -203201.3447 2223.4887 0.0000 0.0000 51798.8691 -110091.8234 297.6888 -161890.6925 -109720.2374 298.4387 -233.0360 -205.5711 760528.6298 -16.5552 -16.3930 PRESSURE: 466800 89.7482 -110.033 -21.6544 -110.033 47.2204 -68.2571 -21.6531 -68.2566 4.85844 GPRESSURE: 466800 80.8322 -81.5628 -78.1952 -44.8512 155.137 -125.036 -24.1578 -76.0932 -0.789914 PRESSAVG: 466800 16.5669 -42.3885 4.5769 -42.3885 17.6919 -14.497 4.5769 -14.497 -5.61523 GPRESSAVG: 466800 16.4675 -42.3733 2.09607 -42.9474 18.2656 -14.717 4.32442 -12.667 -5.68132 TIMING: 466800 CPU: 1470.13, 0.00316628/step Wall: 1470.13, 0.00316628/step, 3.98705 hours remaining, 232.812500 MB of memory in use. ENERGY: 466800 4049.0556 20524.7448 14359.6778 238.1598 -203473.5735 2584.9450 0.0000 0.0000 51884.1236 -109832.8669 298.1788 -161716.9905 -109467.7988 298.7899 47.2757 78.3930 759578.4883 9.5478 9.6839 PRESSURE: 467000 -52.9692 -107.465 -143.612 -107.465 205.204 -152.164 -143.612 -152.163 186.506 GPRESSURE: 467000 14.2489 -42.9633 -194.555 -41.8205 221.992 -58.0392 -98.458 -203.14 189.796 PRESSAVG: 467000 -1.2234 -54.4819 -3.70039 -54.4819 -25.8156 -39.0785 -3.70033 -39.0785 27.3097 GPRESSAVG: 467000 -2.1606 -54.6066 -1.99845 -52.911 -25.4378 -38.1219 -3.50401 -40.2084 27.6508 TIMING: 467000 CPU: 1470.76, 0.00314602/step Wall: 1470.76, 0.00314602/step, 3.96137 hours remaining, 232.812500 MB of memory in use. ENERGY: 467000 3956.2538 20686.0704 14389.3386 234.5063 -203308.6263 2534.5152 0.0000 0.0000 51824.1278 -109683.8142 297.8340 -161507.9419 -109337.0774 299.2378 112.9138 142.0124 759725.5149 0.0902 0.0175 PRESSURE: 467200 83.9035 -142.092 96.7301 -142.092 84.1738 -100.949 96.7289 -100.949 -135.139 GPRESSURE: 467200 80.5243 -85.273 166.815 -291.07 64.4729 -206.486 -8.55064 -72.0614 -14.4724 PRESSAVG: 467200 69.6366 -71.5894 -34.7449 -71.5894 -29.0207 -30.2533 -34.7449 -30.2534 2.0731 GPRESSAVG: 467200 70.2239 -71.5986 -33.4411 -72.5374 -29.4111 -31.6189 -35.4712 -30.8125 2.39897 TIMING: 467200 CPU: 1471.39, 0.00313628/step Wall: 1471.39, 0.00313628/step, 3.94893 hours remaining, 232.812500 MB of memory in use. ENERGY: 467200 3994.7677 20621.1069 14393.3753 247.9033 -203366.1728 2479.1636 0.0000 0.0000 51998.6020 -109631.2540 298.8367 -161629.8560 -109275.3400 299.2497 10.9793 43.5083 759825.9554 14.2297 14.4039 PRESSURE: 467400 -133.793 135.42 -112.502 135.419 -127.957 53.4749 -112.502 53.4753 -278.773 GPRESSURE: 467400 -146.165 56.9986 -175.889 42.3983 -66.5401 99.1093 -35.4903 10.2549 -263.431 PRESSAVG: 467400 -15.5381 -33.1414 -28.1016 -33.1415 20.2048 -56.5587 -28.1016 -56.5586 -23.5395 GPRESSAVG: 467400 -16.1504 -32.2443 -29.4878 -33.2527 21.1488 -55.2858 -24.9947 -56.9332 -23.5308 TIMING: 467400 CPU: 1472.01, 0.00312752/step Wall: 1472.01, 0.00312752/step, 3.93772 hours remaining, 232.812500 MB of memory in use. ENERGY: 467400 4015.4490 20485.1217 14415.6652 252.2670 -203784.1966 2725.1008 0.0000 0.0000 51998.9207 -109891.6722 298.8385 -161890.5929 -109531.6555 298.9629 -180.1741 -158.7121 761262.9624 -6.2910 -6.1775 PRESSURE: 467600 17.4279 -68.1113 45.9217 -68.1123 172.915 -278.908 45.9211 -278.907 -0.210636 GPRESSURE: 467600 9.40732 -109.002 45.7761 -85.894 218.352 -360.237 9.04943 -213.371 47.0658 PRESSAVG: 467600 -37.7459 9.17512 -7.11252 9.17514 -17.8774 17.6421 -7.11256 17.6422 -21.489 GPRESSAVG: 467600 -36.9598 7.39075 -6.00423 8.56418 -17.8412 17.2765 -9.07417 19.0763 -21.6268 TIMING: 467600 CPU: 1472.65, 0.00316731/step Wall: 1472.65, 0.00316732/step, 3.98765 hours remaining, 232.812500 MB of memory in use. ENERGY: 467600 3990.4356 20600.3428 14443.9901 239.8510 -204399.0674 2943.5334 0.0000 0.0000 52207.3677 -109973.5469 300.0365 -162180.9145 -109615.6098 298.8738 63.3773 91.6084 758632.9394 -25.7041 -25.4759 PRESSURE: 467800 -366.969 -138.948 37.5876 -138.948 -13.4654 93.9812 37.5873 93.9804 -473.791 GPRESSURE: 467800 -316.366 -205.966 102.69 -74.2587 11.0474 14.625 -5.431 30.6516 -464.553 PRESSAVG: 467800 3.58915 -54.0932 -56.998 -54.0932 10.783 -17.8769 -56.998 -17.8769 -30.9319 GPRESSAVG: 467800 3.22816 -55.2847 -58.1724 -53.9339 9.86758 -17.9438 -58.1553 -18.6585 -30.0522 TIMING: 467800 CPU: 1473.27, 0.00314199/step Wall: 1473.27, 0.00314199/step, 3.95559 hours remaining, 232.812500 MB of memory in use. ENERGY: 467800 3994.1651 20395.8729 14493.4594 242.7755 -203434.5132 2283.4275 0.0000 0.0000 52045.3607 -109979.4520 299.1054 -162024.8128 -109608.8452 299.0430 -284.7418 -256.6240 761986.9236 -5.5199 -5.6522 PRESSURE: 468000 241.831 167.994 -292.905 167.994 102.358 -164.202 -292.906 -164.203 8.89491 GPRESSURE: 468000 346.697 128.068 -221.142 212.606 95.5427 -174.319 -230.929 -254.372 -24.6321 PRESSAVG: 468000 37.1904 -47.9639 -6.61432 -47.9639 -74.7552 -87.7602 -6.6143 -87.7602 6.36812 GPRESSAVG: 468000 38.0656 -45.472 -6.64828 -47.9134 -74.164 -85.8712 -5.04679 -88.5324 4.33104 TIMING: 468000 CPU: 1473.9, 0.00313048/step Wall: 1473.9, 0.00313048/step, 3.94093 hours remaining, 232.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 468000 3995.0032 20520.0989 14434.4542 260.3150 -203912.5224 2866.3704 0.0000 0.0000 51984.7660 -109851.5149 298.7572 -161836.2809 -109488.7931 299.1717 117.6947 139.2026 759129.7264 -10.3989 -10.5891 PRESSURE: 468200 -3.6761 21.4979 -10.6529 21.4982 -374.543 -223.192 -10.652 -223.192 162.835 GPRESSURE: 468200 37.2804 -12.4183 -86.1776 105.836 -296.356 -293.046 -40.5211 -44.6848 133.505 PRESSAVG: 468200 -19.8223 -41.5991 -16.5101 -41.5991 21.5746 -37.4051 -16.5101 -37.4051 0.782308 GPRESSAVG: 468200 -22.5204 -43.5706 -16.5342 -42.2889 22.2291 -39.5136 -15.336 -36.8442 2.65104 TIMING: 468200 CPU: 1474.52, 0.003119/step Wall: 1474.52, 0.003119/step, 3.9263 hours remaining, 232.812500 MB of memory in use. ENERGY: 468200 3950.5022 20559.9132 14452.3962 257.1967 -203235.0700 2334.0658 0.0000 0.0000 51907.6555 -109773.3403 298.3140 -161680.9958 -109412.9098 298.9613 -71.7945 -41.8567 759964.0164 0.8449 0.7866 LDB: ============= START OF LOAD BALANCING ============== 1486.92 LDB: ============== END OF LOAD BALANCING =============== 1486.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1486.92 LDB: ============= START OF LOAD BALANCING ============== 1487.23 LDB: Largest compute 7034 load 0.031450 is 16.1% of average load 0.195872 LDB: Average compute 0.004363 is 2.2% of average load 0.195872 LDB: TIME 1487.24 LOAD: AVG 0.195872 MAX 0.214264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.34 MB LDB: TIME 1487.24 LOAD: AVG 0.195872 MAX 0.214264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: TIME 1487.24 LOAD: AVG 0.195872 MAX 0.214264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1487.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1487.25 PRESSURE: 468400 -502.452 279.312 47.5753 279.312 -410.826 14.5147 47.5765 14.5147 192.009 GPRESSURE: 468400 -437.555 253.29 5.52142 370.085 -333.463 -13.4091 -10.329 61.7948 139.303 PRESSAVG: 468400 2.49137 -15.932 9.39325 -15.932 45.022 22.9894 9.39334 22.9893 4.08968 GPRESSAVG: 468400 3.51117 -15.1881 10.5962 -15.0563 45.1994 24.8096 8.45523 24.2974 2.58547 TIMING: 468400 CPU: 1475.16, 0.00319868/step Wall: 1475.16, 0.00319868/step, 4.02643 hours remaining, 233.339844 MB of memory in use. ENERGY: 468400 4048.6093 20556.8726 14380.2207 249.0538 -203665.8957 2360.6078 0.0000 0.0000 52165.2430 -109905.2884 299.7944 -162070.5314 -109535.8833 298.9420 -240.4232 -210.5716 760752.1648 17.2010 17.0987 PRESSURE: 468600 -215.621 63.0909 179.793 63.0913 -148.32 36.7998 179.792 36.7993 -34.5163 GPRESSURE: 468600 -106.1 151.55 182.587 104.788 -159.338 -127.433 116.214 24.7075 -48.0371 PRESSAVG: 468600 22.1728 16.4115 1.16964 16.4115 -14.8985 75.1705 1.16969 75.1705 -5.54569 GPRESSAVG: 468600 22.0175 16.6094 1.803 19.4077 -16.3206 74.2004 0.305577 74.1858 -3.88775 TIMING: 468600 CPU: 1475.79, 0.00313296/step Wall: 1475.79, 0.00313296/step, 3.94353 hours remaining, 233.339844 MB of memory in use. ENERGY: 468600 3967.6158 20481.6522 14459.4270 244.5590 -204204.9529 2759.8294 0.0000 0.0000 52218.7576 -110073.1120 300.1019 -162291.8696 -109707.5471 298.8446 -132.8192 -104.4919 757952.4449 0.5762 0.6030 PRESSURE: 468800 -289.739 -127.3 31.16 -127.3 -99.7459 -151.818 31.1597 -151.818 94.0513 GPRESSURE: 468800 -239.12 -148.262 58.5872 -183.347 -144.67 -92.0381 50.4752 -194.82 191.932 PRESSAVG: 468800 36.4949 6.40054 33.9717 6.40049 19.1104 -1.00571 33.9717 -1.00557 15.8928 GPRESSAVG: 468800 36.8397 9.93839 34.6907 1.47365 17.708 -1.23123 32.7053 -0.699928 16.7773 TIMING: 468800 CPU: 1476.42, 0.00314751/step Wall: 1476.42, 0.00314751/step, 3.96166 hours remaining, 233.339844 MB of memory in use. ENERGY: 468800 4025.7763 20539.2276 14455.0221 258.9528 -203594.4311 2418.1494 0.0000 0.0000 51859.7963 -110037.5067 298.0390 -161897.3030 -109696.7451 299.2177 -98.4780 -63.9526 760165.4612 23.8327 23.7750 PRESSURE: 469000 -147.101 208.547 176.083 208.547 -267.583 174.881 176.083 174.881 -495.512 GPRESSURE: 469000 -138.317 229.983 137.904 128.348 -202.484 265.792 164.166 230.394 -465.714 PRESSAVG: 469000 -6.87093 -16.5352 3.25072 -16.5352 4.46139 6.06216 3.25069 6.06216 12.5216 GPRESSAVG: 469000 -6.91958 -18.5971 1.8698 -15.8685 6.3856 5.85112 2.73446 5.89077 10.5164 TIMING: 469000 CPU: 1477.05, 0.00313399/step Wall: 1477.05, 0.00313399/step, 3.94447 hours remaining, 233.339844 MB of memory in use. ENERGY: 469000 4083.5428 20490.1527 14444.3630 261.5334 -203318.1850 2144.0671 0.0000 0.0000 51793.8334 -110100.6926 297.6599 -161894.5260 -109742.0207 298.6026 -303.3989 -268.8385 759734.1646 3.3707 3.3275 PRESSURE: 469200 364.462 -156.001 2.91015 -156.002 85.0882 -160.307 2.9107 -160.305 89.3426 GPRESSURE: 469200 403.634 -202.263 -14.8299 -146.715 146.825 -145.112 10.8815 -148.596 74.5104 PRESSAVG: 469200 30.5744 -53.3693 -9.05709 -53.3693 7.09462 -27.6916 -9.05716 -27.6915 19.2496 GPRESSAVG: 469200 29.303 -52.558 -10.5006 -53.415 7.24065 -28.75 -5.26819 -26.2467 20.1173 TIMING: 469200 CPU: 1477.67, 0.00313115/step Wall: 1477.67, 0.00313115/step, 3.94072 hours remaining, 233.339844 MB of memory in use. ENERGY: 469200 3984.0803 20485.6976 14438.9688 260.1897 -203990.2800 2802.2075 0.0000 0.0000 51976.7082 -110042.4278 298.7109 -162019.1360 -109673.0129 298.8683 179.6309 208.3233 758591.9108 18.9729 18.8870 PRESSURE: 469400 -152.758 22.9141 -81.6911 22.9137 -139.632 -280.29 -81.6912 -280.29 188.357 GPRESSURE: 469400 -157.683 71.8127 -23.8357 52.2379 -87.1987 -296.801 -100.026 -180.302 204.97 PRESSAVG: 469400 -4.89782 -23.4886 40.8642 -23.4885 -40.8406 -10.8625 40.8642 -10.8625 2.10761 GPRESSAVG: 469400 -4.0694 -24.5955 42.1602 -21.9132 -41.0673 -9.45577 40.6851 -11.5939 0.917328 TIMING: 469400 CPU: 1478.3, 0.00314983/step Wall: 1478.3, 0.00314983/step, 3.96406 hours remaining, 233.339844 MB of memory in use. ENERGY: 469400 4029.5859 20571.5186 14467.0223 263.7789 -203671.5379 2373.2657 0.0000 0.0000 51812.1148 -110154.2517 297.7649 -161966.3665 -109792.9675 298.6378 -34.6778 -13.3038 759407.7482 -14.5436 -14.7398 PRESSURE: 469600 170.343 -84.4501 107.932 -84.4502 123.305 -40.9775 107.931 -40.9776 216.452 GPRESSURE: 469600 141.222 -98.5634 78.0642 -73.4667 190.785 -18.1508 105.109 -41.7078 244.843 PRESSAVG: 469600 47.8574 -29.6832 6.70559 -29.6831 -88.9191 -46.6157 6.70555 -46.6156 -18.3025 GPRESSAVG: 469600 47.0024 -30.7172 6.45899 -30.4441 -89.6244 -46.5323 4.16746 -47.2885 -17.1476 TIMING: 469600 CPU: 1478.93, 0.00315509/step Wall: 1478.93, 0.00315509/step, 3.97051 hours remaining, 233.339844 MB of memory in use. ENERGY: 469600 3961.4348 20531.8273 14408.3145 241.9506 -203849.0000 2585.3096 0.0000 0.0000 52182.7312 -109937.4321 299.8949 -162120.1633 -109565.2020 298.8952 170.0334 192.2831 757990.1380 -19.7880 -19.9232 PRESSURE: 469800 -105.969 -36.0279 -0.532103 -36.028 -331.897 251.349 -0.532885 251.348 228.963 GPRESSURE: 469800 -63.2007 -22.8157 -76.033 36.4284 -291.592 234.595 129.988 251.342 227.288 PRESSAVG: 469800 35.7362 11.8535 19.1817 11.8534 -60.0153 -46.5826 19.1818 -46.5826 13.8904 GPRESSAVG: 469800 35.8546 14.06 18.492 11.3901 -60.464 -45.8042 19.9529 -46.0613 14.5559 TIMING: 469800 CPU: 1479.57, 0.00316569/step Wall: 1479.57, 0.00316569/step, 3.98367 hours remaining, 233.339844 MB of memory in use. ENERGY: 469800 4035.4528 20434.2541 14408.4077 251.7616 -203624.6716 2369.7127 0.0000 0.0000 52311.5167 -109813.5661 300.6350 -162125.0828 -109440.7049 299.6799 -69.6340 -42.5017 759450.3235 -3.4629 -3.3511 PRESSURE: 470000 71.8112 16.845 -170.049 16.8457 134.527 -50.4779 -170.049 -50.4775 414.604 GPRESSURE: 470000 145.694 -18.5378 -60.5347 1.34837 152.389 -79.9373 -67.1842 -15.9627 427.769 PRESSAVG: 470000 47.4473 5.62955 0.972427 5.62954 -53.3161 48.4232 0.972394 48.4232 9.79745 GPRESSAVG: 470000 47.1417 5.25102 -0.664822 5.61543 -52.173 47.3726 2.6039 49.2116 8.92165 TIMING: 470000 CPU: 1480.2, 0.00317234/step Wall: 1480.2, 0.00317234/step, 3.99186 hours remaining, 233.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 470000 3922.6366 20559.1608 14414.2880 233.8990 -203514.1584 2520.9857 0.0000 0.0000 52190.9089 -109672.2793 299.9419 -161863.1882 -109307.1616 299.8354 206.9806 241.9507 760188.1104 1.3096 1.2968 PRESSURE: 470200 -191.391 -61.8496 176.427 -61.8505 -100.786 -221.981 176.427 -221.981 55.8108 GPRESSURE: 470200 -191.514 -128.038 112.62 -29.7826 -111.65 -43.9003 150.551 -313.96 157.505 PRESSAVG: 470200 -10.593 8.63514 43.261 8.63517 22.9141 18.1235 43.261 18.1235 -6.23873 GPRESSAVG: 470200 -9.56731 9.519 44.5575 9.23709 21.9821 18.534 42.1553 15.8768 -5.60886 TIMING: 470200 CPU: 1480.83, 0.00315064/step Wall: 1480.83, 0.00315064/step, 3.96438 hours remaining, 233.339844 MB of memory in use. ENERGY: 470200 3995.2313 20482.0465 14448.6931 246.0497 -203271.0970 2317.6866 0.0000 0.0000 52148.2362 -109633.1536 299.6966 -161781.3898 -109267.6014 299.5156 -78.7886 -48.5531 759789.9324 2.0275 2.2686 PRESSURE: 470400 -518.428 -49.9772 -79.6129 -49.9772 -94.9894 -46.3331 -79.6134 -46.3335 -368.168 GPRESSURE: 470400 -347.946 154.297 -126.056 -71.0865 -178.308 0.901069 20.2542 -72.8908 -380.443 PRESSAVG: 470400 31.7342 -7.84931 21.378 -7.8493 -13.5252 -25.2734 21.378 -25.2734 11.1005 GPRESSAVG: 470400 31.9307 -10.1664 22.5047 -8.51622 -13.1339 -25.7806 22.6552 -24.7266 10.7136 TIMING: 470400 CPU: 1481.46, 0.00315361/step Wall: 1481.46, 0.00315361/step, 3.96794 hours remaining, 233.339844 MB of memory in use. ENERGY: 470400 4042.4954 20552.2411 14460.1086 255.1328 -203102.8188 2256.7595 0.0000 0.0000 51853.4835 -109682.5979 298.0027 -161536.0814 -109324.6309 298.9554 -327.1949 -302.2322 760143.3030 9.7698 9.8368 PRESSURE: 470600 -207.802 91.5779 -216.881 91.5778 -56.4059 22.1643 -216.881 22.1646 -89.1902 GPRESSURE: 470600 -201.675 160.214 -244.627 95.374 46.9448 -33.9539 -103.029 -2.01214 -96.4391 PRESSAVG: 470600 14.8149 -28.6444 17.1725 -28.6443 -18.8328 8.79026 17.1726 8.79028 -22.8627 GPRESSAVG: 470600 14.5266 -26.3655 18.0914 -30.0496 -17.8978 7.08124 14.8767 12.3141 -23.2143 TIMING: 470600 CPU: 1482.09, 0.00315561/step Wall: 1482.09, 0.00315561/step, 3.97028 hours remaining, 233.339844 MB of memory in use. ENERGY: 470600 3977.9136 20613.5138 14449.0377 248.9107 -203185.9761 2440.8068 0.0000 0.0000 51887.4784 -109568.3151 298.1981 -161455.7935 -109206.6189 299.3191 -117.7995 -83.7230 761114.0052 -8.9602 -8.8618 PRESSURE: 470800 154.399 -213.036 193.753 -213.037 -185.4 117.553 193.753 117.553 -249.864 GPRESSURE: 470800 66.6171 -233.877 242.924 -245.687 -63.2169 81.1511 190.806 -26.221 -198.64 PRESSAVG: 470800 -41.4491 -18.7323 37.9341 -18.7323 11.466 -25.6125 37.9341 -25.6125 -26.8737 GPRESSAVG: 470800 -42.3129 -21.201 36.0938 -12.2582 11.2134 -26.3315 39.0127 -26.1244 -25.8275 TIMING: 470800 CPU: 1482.73, 0.00316251/step Wall: 1482.73, 0.00316252/step, 3.9788 hours remaining, 233.339844 MB of memory in use. ENERGY: 470800 4074.9797 20463.8568 14452.6877 259.8813 -203437.3081 2597.8265 0.0000 0.0000 52158.7448 -109429.3311 299.7570 -161588.0759 -109068.4778 299.2527 -93.6217 -65.0800 761209.6168 -18.9523 -18.9757 PRESSURE: 471000 -126.466 -101.683 71.6032 -101.682 327.196 -0.389644 71.6032 -0.390225 132.147 GPRESSURE: 471000 -46.0299 -102.628 80.7479 11.4047 344.156 3.08652 78.2869 103.787 131.627 PRESSAVG: 471000 2.20734 -29.2324 60.8703 -29.2324 -6.08211 -12.9262 60.8702 -12.9262 11.4213 GPRESSAVG: 471000 2.98724 -27.7797 63.0795 -32.7268 -7.30914 -8.78828 59.8245 -18.1094 10.9775 TIMING: 471000 CPU: 1483.36, 0.003171/step Wall: 1483.36, 0.003171/step, 3.98929 hours remaining, 233.339844 MB of memory in use. ENERGY: 471000 3952.4081 20586.6230 14471.6619 257.6499 -203582.1765 2689.4675 0.0000 0.0000 52202.5844 -109421.7817 300.0090 -161624.3661 -109068.4187 299.5727 110.9590 143.2509 759496.7804 2.5155 2.2185 PRESSURE: 471200 -148.404 -136.177 85.7257 -136.178 -214.902 -23.1148 85.7252 -23.1144 -257.896 GPRESSURE: 471200 -179.938 -215.061 52.6099 -153.189 -139.828 -52.3201 103.701 19.5358 -212.488 PRESSAVG: 471200 -39.7312 -33.5094 22.3207 -33.5094 29.9308 -29.748 22.3207 -29.7479 -15.7872 GPRESSAVG: 471200 -40.9227 -33.5748 22.1529 -32.0752 31.076 -32.1535 23.0064 -27.0992 -15.2713 TIMING: 471200 CPU: 1483.99, 0.00315642/step Wall: 1483.99, 0.00315642/step, 3.97078 hours remaining, 233.339844 MB of memory in use. ENERGY: 471200 3945.8222 20629.2781 14484.2656 243.3423 -203295.0232 2428.9086 0.0000 0.0000 52116.9006 -109446.5059 299.5165 -161563.4065 -109082.0382 299.7229 -207.0672 -177.4181 759770.7473 -8.5292 -8.3726 PRESSURE: 471400 -68.7579 -116.739 76.6026 -116.738 -314.419 -72.2017 76.6022 -72.2008 229.322 GPRESSURE: 471400 4.34571 -55.1512 64.3341 -126.678 -234.234 -91.6512 107.163 -42.8948 180.573 PRESSAVG: 471400 32.1216 -21.0494 14.1829 -21.0494 -10.4645 5.39414 14.183 5.39418 10.2623 GPRESSAVG: 471400 32.8262 -19.5168 12.3507 -24.0151 -10.5795 4.44484 15.8324 5.93644 9.25863 TIMING: 471400 CPU: 1484.62, 0.00315118/step Wall: 1484.62, 0.00315118/step, 3.964 hours remaining, 233.339844 MB of memory in use. ENERGY: 471400 4045.2688 20525.4574 14480.2967 232.6848 -203517.3569 2650.2201 0.0000 0.0000 52321.8222 -109261.6070 300.6942 -161583.4291 -108889.2461 299.7420 -51.2851 -16.4383 761525.9654 10.6398 10.5018 PRESSURE: 471600 -114.504 52.0008 302.535 52.0012 -251.872 -171.494 302.536 -171.495 1.15528 GPRESSURE: 471600 -193.498 50.6988 271.64 23.5673 -101.833 -108.484 273.48 -3.43295 21.8861 PRESSAVG: 471600 -0.665651 -52.4554 46.237 -52.4554 -17.6295 10.6268 46.237 10.6268 -11.9718 GPRESSAVG: 471600 -1.76971 -55.2872 46.702 -50.8661 -17.3749 11.4232 43.5931 9.50128 -11.7425 TIMING: 471600 CPU: 1485.25, 0.00314554/step Wall: 1485.25, 0.00314554/step, 3.95674 hours remaining, 233.339844 MB of memory in use. ENERGY: 471600 4042.3525 20604.4992 14379.2327 222.3198 -203498.7363 2444.3371 0.0000 0.0000 52335.9595 -109470.0355 300.7755 -161805.9950 -109116.2896 299.6575 -121.7403 -91.1484 761754.0689 -10.0890 -10.2957 PRESSURE: 471800 211.626 -122.807 39.175 -122.807 305.093 70.1761 39.1748 70.1756 -313.643 GPRESSURE: 471800 248.725 -143.089 72.7856 -168.79 380.734 54.9897 119.172 60.3537 -324.99 PRESSAVG: 471800 -32.4726 -69.9179 9.80288 -69.9179 32.1977 -30.6742 9.8029 -30.6742 18.6962 GPRESSAVG: 471800 -30.8033 -71.0238 11.5368 -69.682 31.8258 -30.0849 11.1839 -27.3832 16.7778 TIMING: 471800 CPU: 1485.88, 0.00313688/step Wall: 1485.88, 0.00313688/step, 3.94567 hours remaining, 233.339844 MB of memory in use. ENERGY: 471800 3979.5097 20438.9500 14399.7857 253.8347 -203674.3640 2823.7484 0.0000 0.0000 52109.3736 -109669.1619 299.4733 -161778.5355 -109316.1238 298.9723 67.6918 101.4899 760196.9260 6.1404 5.9334 PRESSURE: 472000 -167.061 -13.9318 187.052 -13.9318 -2.83608 16.3866 187.053 16.3867 -183.595 GPRESSURE: 472000 -31.3544 1.17717 213.578 -7.40012 -54.6997 -8.25723 189.371 -51.5251 -177.471 PRESSAVG: 472000 54.776 -33.5837 -8.0633 -33.5836 -19.6955 9.07118 -8.06328 9.07125 -1.87321 GPRESSAVG: 472000 54.0482 -31.3732 -10.424 -33.3982 -20.2453 7.38009 -8.4581 8.78246 -1.4214 TIMING: 472000 CPU: 1486.5, 0.0031161/step Wall: 1486.5, 0.0031161/step, 3.91936 hours remaining, 233.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 472000 3958.9134 20426.0700 14490.2945 247.5419 -203436.4239 2398.6868 0.0000 0.0000 52038.7611 -109876.1563 299.0675 -161914.9174 -109506.9780 298.8353 -117.8307 -87.8418 760550.9841 11.0691 10.7939 PRESSURE: 472200 -110.565 -34.5693 253.616 -34.5699 -225.986 35.1306 253.615 35.1299 -338.068 GPRESSURE: 472200 -72.9218 -60.7356 261.594 -5.63255 -258.324 33.4974 181.285 74.3872 -248.004 PRESSAVG: 472200 71.7923 -15.06 35.7147 -15.0599 -30.3996 -72.7603 35.7147 -72.7604 -2.29128 GPRESSAVG: 472200 71.8036 -15.6705 38.0381 -15.4773 -30.8805 -72.6596 33.6198 -74.8311 -1.83091 TIMING: 472200 CPU: 1487.13, 0.00313489/step Wall: 1487.13, 0.00313489/step, 3.94282 hours remaining, 233.339844 MB of memory in use. ENERGY: 472200 4062.3093 20435.6506 14467.0092 234.1642 -203449.5830 2426.3090 0.0000 0.0000 51809.8168 -110014.3238 297.7517 -161824.1407 -109658.2052 298.6024 -224.8731 -193.0832 759120.2877 13.0338 13.0307 LDB: ============= START OF LOAD BALANCING ============== 1499.52 LDB: ============== END OF LOAD BALANCING =============== 1499.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1499.53 LDB: ============= START OF LOAD BALANCING ============== 1499.84 LDB: Largest compute 7064 load 0.031851 is 16.3% of average load 0.195758 LDB: Average compute 0.004366 is 2.2% of average load 0.195758 LDB: TIME 1499.84 LOAD: AVG 0.195758 MAX 0.214847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.609 MB LDB: TIME 1499.84 LOAD: AVG 0.195758 MAX 0.214847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.609 MB LDB: TIME 1499.84 LOAD: AVG 0.195758 MAX 0.214847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.609 MB LDB: ============== END OF LOAD BALANCING =============== 1499.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1499.85 PRESSURE: 472400 139.823 84.5958 99.8946 84.5953 -121.079 1.91905 99.8956 1.91859 92.5777 GPRESSURE: 472400 110.196 152.497 75.8748 60.2134 -12.7872 35.973 135.433 27.7424 103.784 PRESSAVG: 472400 -7.94635 -22.7867 87.5329 -22.7867 -11.0823 -53.6706 87.5328 -53.6706 4.94975 GPRESSAVG: 472400 -9.26606 -20.8708 87.6078 -24.9594 -9.2056 -52.7219 87.6371 -52.0191 4.71339 TIMING: 472400 CPU: 1487.76, 0.00318281/step Wall: 1487.76, 0.00318281/step, 4.00291 hours remaining, 233.136719 MB of memory in use. ENERGY: 472400 4001.7475 20329.1460 14475.9892 229.8359 -203667.7406 2535.3727 0.0000 0.0000 52009.6304 -110086.0189 298.9001 -162095.6493 -109719.3949 298.6852 37.1073 67.0645 759298.2715 -4.6930 -4.5861 PRESSURE: 472600 -198.188 1.56347 -254.535 1.562 -9.25351 -136.45 -254.535 -136.449 -52.1763 GPRESSURE: 472600 -63.358 -24.6497 -262.54 -45.478 -55.5603 -101.404 -168.675 -322.96 -36.1622 PRESSAVG: 472600 -23.0748 -55.6601 2.44419 -55.66 43.2022 12.8103 2.44419 12.8103 15.3127 GPRESSAVG: 472600 -22.3607 -59.3557 1.35558 -53.1049 41.5096 12.9421 4.1733 10.1088 15.9662 TIMING: 472600 CPU: 1488.39, 0.00310544/step Wall: 1488.39, 0.00310544/step, 3.90543 hours remaining, 233.246094 MB of memory in use. ENERGY: 472600 4022.6759 20452.1025 14412.0038 257.6157 -203141.5136 2353.5162 0.0000 0.0000 51816.1192 -109827.4803 297.7879 -161643.5995 -109466.3219 298.8613 -86.5392 -51.6935 759170.0696 11.8134 11.7051 PRESSURE: 472800 52.7671 40.8918 -2.4328 40.8916 187.334 34.3484 -2.43168 34.3476 219.265 GPRESSURE: 472800 5.00186 101.92 -115.103 -86.9952 326.487 20.9628 -9.01239 -22.3585 217.26 PRESSAVG: 472800 -13.1828 -69.6343 22.3508 -69.6343 12.9561 8.02565 22.3507 8.02559 -5.30144 GPRESSAVG: 472800 -12.5698 -67.9527 20.3557 -71.4015 13.4441 8.08411 22.2159 8.70132 -6.55414 TIMING: 472800 CPU: 1489.01, 0.00313186/step Wall: 1489.01, 0.00313186/step, 3.93848 hours remaining, 233.246094 MB of memory in use. ENERGY: 472800 4014.3384 20560.2127 14440.0451 247.2216 -203387.4246 2347.5187 0.0000 0.0000 51850.0818 -109928.0063 297.9831 -161778.0881 -109566.3828 298.5716 153.1221 182.9161 758507.2463 -1.8427 -1.8933 PRESSURE: 473000 -174.655 170.076 -162.904 170.077 118.443 47.8318 -162.903 47.8321 55.3215 GPRESSURE: 473000 -174.714 124.051 -190.67 81.9787 151.47 -52.2299 -181.259 33.9773 106.126 PRESSAVG: 473000 -16.9917 30.6835 0.158394 30.6835 6.09689 1.50592 0.158389 1.50586 -15.1807 GPRESSAVG: 473000 -17.7583 31.309 0.320078 32.7469 4.90692 0.542137 -0.214399 0.112491 -14.2176 TIMING: 473000 CPU: 1489.64, 0.00315679/step Wall: 1489.64, 0.00315679/step, 3.96967 hours remaining, 233.246094 MB of memory in use. ENERGY: 473000 3929.0905 20539.8622 14454.8900 250.4676 -203322.9499 2402.8455 0.0000 0.0000 51948.9850 -109796.8093 298.5515 -161745.7942 -109442.5287 298.3958 -0.2971 27.6272 759505.2478 -8.6919 -9.0230 PRESSURE: 473200 68.7259 -40.2093 79.1592 -40.2091 102.047 -144.482 79.1598 -144.482 40.7865 GPRESSURE: 473200 60.3347 -40.3361 102.588 -22.3275 97.3921 -202.065 41.3041 -102.019 148.619 PRESSAVG: 473200 -32.8675 -29.715 26.1476 -29.7151 35.6143 6.85742 26.1477 6.85737 -7.98551 GPRESSAVG: 473200 -33.1467 -28.933 26.8866 -31.1771 35.411 7.43025 27.0923 8.48078 -7.40324 TIMING: 473200 CPU: 1490.27, 0.00315027/step Wall: 1490.27, 0.00315027/step, 3.96129 hours remaining, 233.246094 MB of memory in use. ENERGY: 473200 4017.4173 20468.4073 14448.2846 247.1672 -203595.8937 2574.3454 0.0000 0.0000 52007.4024 -109832.8695 298.8873 -161840.2719 -109468.5756 298.9282 70.5199 102.1154 759317.9972 -1.7462 -1.7130 PRESSURE: 473400 -220.23 -212.423 -35.1743 -212.422 -284.178 -90.8098 -35.1741 -90.8092 -201.811 GPRESSURE: 473400 -122.296 -264.226 -1.91706 -139.578 -222.809 -102.187 46.5436 -186.654 -272.274 PRESSAVG: 473400 -7.79302 -25.0933 -11.4238 -25.0934 -3.92101 14.3927 -11.4238 14.3927 -9.18141 GPRESSAVG: 473400 -7.26022 -26.1677 -10.6436 -24.7866 -4.23419 14.8356 -12.9782 15.7694 -8.98799 TIMING: 473400 CPU: 1490.9, 0.00312186/step Wall: 1490.9, 0.00312186/step, 3.9254 hours remaining, 233.246094 MB of memory in use. ENERGY: 473400 4015.0186 20535.5061 14418.4942 231.2058 -203144.3192 2127.2969 0.0000 0.0000 51843.5381 -109973.2596 297.9455 -161816.7976 -109600.2100 298.2770 -235.4061 -205.7932 759979.1319 -6.9651 -6.8275 PRESSURE: 473600 -193.505 62.216 -65.3397 62.2156 -261.496 77.2652 -65.3394 77.2647 -371.544 GPRESSURE: 473600 -130.958 46.3357 -33.514 45.9645 -289.648 138.226 -98.747 30.4087 -319.53 PRESSAVG: 473600 -4.64005 -9.63384 34.21 -9.63385 -27.3423 -36.7341 34.21 -36.7342 27.1573 GPRESSAVG: 473600 -4.15354 -9.25839 33.6434 -8.89278 -27.4932 -37.4753 37.1141 -36.7184 26.7211 TIMING: 473600 CPU: 1491.52, 0.00313275/step Wall: 1491.52, 0.00313275/step, 3.93892 hours remaining, 233.246094 MB of memory in use. ENERGY: 473600 4026.8033 20514.3843 14423.0903 237.6069 -203322.7933 2471.5285 0.0000 0.0000 51917.3580 -109732.0221 298.3698 -161649.3801 -109368.7843 298.2619 -275.5149 -246.7117 761458.5456 -1.6083 -1.6419 PRESSURE: 473800 130.049 -78.0401 13.1592 -78.0406 -96.0995 190.765 13.1594 190.765 40.3366 GPRESSURE: 473800 36.1724 -96.8075 81.2796 -212.221 35.6494 243.614 4.20799 260.845 87.1265 PRESSAVG: 473800 34.1159 -14.7099 -14.9335 -14.71 -51.6449 36.5806 -14.9335 36.5806 3.65842 GPRESSAVG: 473800 32.5902 -14.7934 -13.6437 -16.039 -50.1373 37.2089 -18.498 35.5381 3.92809 TIMING: 473800 CPU: 1492.15, 0.00314493/step Wall: 1492.15, 0.00314493/step, 3.95404 hours remaining, 233.246094 MB of memory in use. ENERGY: 473800 4014.8423 20339.7601 14472.2440 235.2898 -203089.1171 2487.2150 0.0000 0.0000 51714.0722 -109825.6936 297.2015 -161539.7659 -109467.8024 298.5833 24.7620 52.9828 761887.3389 -4.6235 -4.5396 PRESSURE: 474000 -167.435 26.5675 -194.254 26.5679 -115.055 -135.124 -194.254 -135.124 -216.664 GPRESSURE: 474000 -153.819 -18.2601 -99.8897 -84.1096 -136.235 -114.395 -224.971 -40.1914 -106.899 PRESSAVG: 474000 17.6138 34.5676 54.1658 34.5676 -11.6765 -0.215436 54.1658 -0.215402 -15.1821 GPRESSAVG: 474000 18.901 32.5466 53.175 37.3288 -12.2569 1.05976 55.0684 2.51128 -15.7438 TIMING: 474000 CPU: 1492.78, 0.00315657/step Wall: 1492.78, 0.00315657/step, 3.96851 hours remaining, 233.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 474000 4062.0831 20274.5490 14481.0011 237.0477 -203290.4679 2474.5194 0.0000 0.0000 51948.7258 -109812.5420 298.5500 -161761.2677 -109464.2506 298.6072 -166.3848 -132.3172 761194.0641 -3.0816 -3.0332 PRESSURE: 474200 -9.67029 -64.1333 -83.5432 -64.1337 -210.16 -204.803 -83.5438 -204.804 148.968 GPRESSURE: 474200 -52.428 -18.6449 -73.163 -78.4916 -73.6235 -357.906 -28.6648 -159.298 143.803 PRESSAVG: 474200 -0.0610233 -10.9172 -32.0034 -10.9172 -2.10083 -35.3658 -32.0034 -35.3659 8.69215 GPRESSAVG: 474200 -0.863983 -7.70118 -32.7424 -12.339 -2.3232 -36.5451 -30.3269 -37.1785 9.975 TIMING: 474200 CPU: 1493.42, 0.00316095/step Wall: 1493.42, 0.00316095/step, 3.97384 hours remaining, 233.246094 MB of memory in use. ENERGY: 474200 3991.7767 20417.6888 14477.1810 240.5607 -203582.0374 2499.1330 0.0000 0.0000 52188.2732 -109767.4241 299.9267 -161955.6973 -109401.0074 298.8211 -23.6210 5.9172 759662.5545 2.1768 2.2626 PRESSURE: 474400 -243.772 -70.4422 -108.069 -70.4427 -304.927 265.222 -108.069 265.222 -163.355 GPRESSURE: 474400 -116.005 -5.93605 -105.274 -18.9958 -252.456 210.051 -78.554 107.742 -240.797 PRESSAVG: 474400 21 -5.60324 -9.49712 -5.60322 -42.6439 23.1249 -9.49721 23.125 -13.0286 GPRESSAVG: 474400 21.6403 -5.71234 -7.91737 -5.56747 -42.1172 23.6441 -11.3363 22.225 -14.2273 TIMING: 474400 CPU: 1494.06, 0.00320431/step Wall: 1494.06, 0.00320431/step, 4.02818 hours remaining, 233.246094 MB of memory in use. ENERGY: 474400 3982.3296 20650.1133 14425.4074 250.0681 -203422.5516 2345.8655 0.0000 0.0000 52032.6901 -109736.0776 299.0326 -161768.7677 -109367.4225 298.9866 -237.3515 -203.0860 760550.4295 -11.5575 -11.5681 PRESSURE: 474600 -139.181 -154.459 -90.6867 -154.459 -39.2802 -77.453 -90.687 -77.4521 -550.479 GPRESSURE: 474600 -142.032 -162.161 -149.894 -130.664 13.1238 13.883 -116.494 -108.04 -516.459 PRESSAVG: 474600 31.0041 -5.64791 -38.6418 -5.64789 3.48631 32.3042 -38.6418 32.3042 -25.4506 GPRESSAVG: 474600 30.4287 -7.14389 -38.9075 -4.26303 3.14728 32.5754 -37.9222 31.9143 -24.6547 TIMING: 474600 CPU: 1494.69, 0.00314017/step Wall: 1494.69, 0.00314017/step, 3.94737 hours remaining, 233.246094 MB of memory in use. ENERGY: 474600 3912.4368 20642.2192 14454.9322 253.2154 -203198.4593 2196.0131 0.0000 0.0000 51807.0618 -109932.5808 297.7359 -161739.6426 -109565.8041 299.6043 -242.9800 -215.1227 760748.3236 3.0132 2.9737 PRESSURE: 474800 189.37 -176.606 48.1219 -176.606 -138.874 -8.86574 48.1222 -8.86496 -84.8903 GPRESSURE: 474800 217.73 -205.075 -74.6029 -40.5516 -166.812 37.3579 95.9425 -100.254 -3.86774 PRESSAVG: 474800 13.5839 -18.3628 -76.7841 -18.3629 33.5622 -60.4305 -76.7842 -60.4305 -10.9257 GPRESSAVG: 474800 14.1328 -18.2538 -76.6831 -17.6995 33.289 -60.7287 -76.1459 -59.9198 -10.899 TIMING: 474800 CPU: 1495.32, 0.0031475/step Wall: 1495.32, 0.0031475/step, 3.95641 hours remaining, 233.246094 MB of memory in use. ENERGY: 474800 3985.9292 20512.1922 14480.5848 242.7862 -203159.1230 2232.8090 0.0000 0.0000 51882.1329 -109822.6888 298.1673 -161704.8217 -109463.6775 298.8605 -11.4647 15.6832 758610.0993 12.0735 12.1743 PRESSURE: 475000 -405.676 21.7348 -166.465 21.735 -150.842 34.4589 -166.465 34.46 -83.8165 GPRESSURE: 475000 -318.459 -5.89774 -77.5808 -41.9185 -82.747 16.7396 -220.695 134.215 -168.197 PRESSAVG: 475000 3.25955 9.66089 -98.1195 9.66094 -20.8669 -8.83508 -98.1196 -8.83507 -9.42407 GPRESSAVG: 475000 2.24235 10.8201 -96.9413 6.45571 -20.4291 -9.64828 -99.4223 -8.0838 -8.96648 TIMING: 475000 CPU: 1495.94, 0.00312743/step Wall: 1495.94, 0.00312743/step, 3.93101 hours remaining, 233.246094 MB of memory in use. ENERGY: 475000 3993.3924 20435.2960 14479.8453 230.6002 -203618.0490 2519.2586 0.0000 0.0000 52142.8147 -109816.8419 299.6655 -161959.6566 -109457.4429 298.9437 -213.4448 -189.8010 759414.9330 -9.0105 -9.0511 PRESSURE: 475200 -188.625 -32.928 51.7799 -32.9282 184.627 53.3643 51.7797 53.3632 -36.0732 GPRESSURE: 475200 -69.5536 28.7264 126.932 -50.9271 118.754 71.918 76.3836 86.2483 -17.2212 PRESSAVG: 475200 8.08219 10.4205 -62.1199 10.4205 13.5138 40.4652 -62.1199 40.4651 -8.43585 GPRESSAVG: 475200 9.21782 9.10973 -63.7416 11.0776 12.3698 39.6048 -59.9916 40.8994 -8.37221 TIMING: 475200 CPU: 1496.57, 0.00312283/step Wall: 1496.57, 0.00312283/step, 3.92505 hours remaining, 233.246094 MB of memory in use. ENERGY: 475200 4074.8036 20490.1489 14460.7206 227.2637 -203552.6885 2615.3789 0.0000 0.0000 51829.4020 -109854.9707 297.8643 -161684.3727 -109497.0804 298.9060 -13.3568 10.6596 759790.1054 4.3867 4.4051 PRESSURE: 475400 168.909 8.318 348.246 8.3178 1.22502 46.7909 348.245 46.7913 227.253 GPRESSURE: 475400 190.589 -14.584 306.738 96.6928 75.1792 109.572 259.761 26.9232 217.628 PRESSAVG: 475400 -57.3727 -15.8736 -31.021 -15.8735 82.388 -10.4125 -31.021 -10.4125 -17.8154 GPRESSAVG: 475400 -57.0093 -15.3941 -33.5295 -15.942 82.5988 -9.7453 -29.9143 -10.2034 -18.6192 TIMING: 475400 CPU: 1497.19, 0.00314572/step Wall: 1497.19, 0.00314572/step, 3.95365 hours remaining, 233.265625 MB of memory in use. ENERGY: 475400 3928.2461 20517.4983 14468.7968 267.3847 -203465.6646 2489.2701 0.0000 0.0000 51860.5405 -109933.9281 298.0432 -161794.4686 -109579.4751 298.6557 132.4623 161.1321 760268.3263 2.4000 2.3234 PRESSURE: 475600 54.9266 -9.55673 58.6285 -9.5567 -229.954 69.4197 58.6286 69.4198 -111.392 GPRESSURE: 475600 40.7239 -13.056 53.5331 53.2739 -157.326 9.66745 -11.762 87.2871 -75.1626 PRESSAVG: 475600 -14.5177 -35.4688 62.1666 -35.4687 43.5491 -4.85496 62.1666 -4.855 6.72034 GPRESSAVG: 475600 -15.5446 -35.3385 64.8279 -35.3182 44.4697 -5.4823 60.8148 -6.87808 7.16444 TIMING: 475600 CPU: 1497.82, 0.00313201/step Wall: 1497.82, 0.00313201/step, 3.93624 hours remaining, 233.265625 MB of memory in use. ENERGY: 475600 4018.9578 20437.8670 14396.4543 237.2837 -203662.5230 2543.6292 0.0000 0.0000 52211.4272 -109816.9038 300.0598 -162028.3310 -109458.1616 298.6194 -95.4732 -63.9214 759538.9510 11.9172 12.0298 PRESSURE: 475800 28.9972 -10.4885 109.853 -10.4876 -55.182 -261.378 109.853 -261.378 -54.586 GPRESSURE: 475800 100.364 98.2302 125.831 -110.735 -38.989 -366.023 80.4681 -307.677 -52.2416 PRESSAVG: 475800 -8.53281 -24.6144 12.2526 -24.6144 30.3682 8.00606 12.2526 8.00612 3.44284 GPRESSAVG: 475800 -8.66832 -26.1054 11.4755 -23.9571 29.9524 6.63699 13.4838 9.50322 4.14692 TIMING: 475800 CPU: 1498.44, 0.0031189/step Wall: 1498.44, 0.0031189/step, 3.91959 hours remaining, 233.265625 MB of memory in use. ENERGY: 475800 3952.2793 20455.9133 14516.2738 241.7127 -203377.4584 2421.7179 0.0000 0.0000 52171.1098 -109618.4516 299.8281 -161789.5614 -109250.9842 299.0193 -26.9236 3.0443 760285.8444 8.4261 8.4770 PRESSURE: 476000 -128.208 -65.6312 5.52802 -65.6315 35.9632 -369.633 5.5276 -369.633 162.315 GPRESSURE: 476000 14.3985 -82.164 7.08252 -28.9049 -19.4037 -269.754 -90.2789 -321.169 147.264 PRESSAVG: 476000 6.50349 -40.5855 44.457 -40.5856 10.4873 -9.29161 44.457 -9.29169 2.43108 GPRESSAVG: 476000 6.61405 -39.1155 45.0899 -41.5135 10.663 -8.36369 43.7273 -8.02481 1.60217 TIMING: 476000 CPU: 1499.07, 0.00311131/step Wall: 1499.07, 0.00311131/step, 3.90988 hours remaining, 233.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 476000 3970.0118 20617.2730 14492.0604 251.1890 -203600.5460 2646.4873 0.0000 0.0000 51810.4155 -109813.1091 297.7552 -161623.5246 -109448.7222 299.2231 23.3565 47.4198 760202.4478 6.4740 6.2931 PRESSURE: 476200 52.1178 -116.404 114.362 -116.405 191.586 46.1531 114.361 46.1531 -327.701 GPRESSURE: 476200 37.1743 -39.0554 36.1443 -36.0726 159.676 40.0603 22.7951 28.5283 -178.87 PRESSAVG: 476200 -0.335765 -5.69463 26.2704 -5.69463 -25.1027 -11.4197 26.2704 -11.4196 1.19575 GPRESSAVG: 476200 1.41846 -5.38254 26.3144 -4.29534 -26.9315 -11.8183 23.1028 -14.8989 1.49639 TIMING: 476200 CPU: 1499.69, 0.00311994/step Wall: 1499.69, 0.00311994/step, 3.92056 hours remaining, 233.265625 MB of memory in use. ENERGY: 476200 4002.9274 20497.6261 14439.2328 245.6364 -203452.3167 2484.7768 0.0000 0.0000 51967.9625 -109814.1548 298.6606 -161782.1173 -109455.8089 298.6454 -27.9993 5.9933 760180.2986 -8.0809 -8.0056 LDB: ============= START OF LOAD BALANCING ============== 1512.09 LDB: ============== END OF LOAD BALANCING =============== 1512.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1512.09 LDB: ============= START OF LOAD BALANCING ============== 1512.4 LDB: Largest compute 7034 load 0.032484 is 16.6% of average load 0.195682 LDB: Average compute 0.004375 is 2.2% of average load 0.195682 LDB: TIME 1512.41 LOAD: AVG 0.195682 MAX 0.214266 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.465 MB LDB: TIME 1512.41 LOAD: AVG 0.195682 MAX 0.214266 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 1512.41 LOAD: AVG 0.195682 MAX 0.214266 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 1512.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1512.41 PRESSURE: 476400 -36.6421 1.36543 446.427 1.36616 141.14 -93.4028 446.427 -93.4022 89.4553 GPRESSURE: 476400 -61.9129 14.5037 495.676 49.6706 271.706 -152.732 370.716 -201.033 60.9188 PRESSAVG: 476400 17.9579 31.1732 30.3827 31.1732 -19.8115 44.138 30.3827 44.138 1.68099 GPRESSAVG: 476400 16.5764 31.2752 29.8046 29.6116 -19.1182 45.1825 32.9132 45.3114 2.12657 TIMING: 476400 CPU: 1500.33, 0.00319608/step Wall: 1500.33, 0.00319608/step, 4.01606 hours remaining, 233.980469 MB of memory in use. ENERGY: 476400 4061.8742 20538.8380 14418.8382 252.7931 -203777.7288 2765.7708 0.0000 0.0000 52126.2506 -109613.3638 299.5703 -161739.6144 -109262.5765 299.2834 64.6510 90.2373 759858.7808 -0.0575 -0.1384 PRESSURE: 476600 -44.5953 -125.515 -67.1472 -125.515 -100.368 -92.0394 -67.148 -92.0396 310.499 GPRESSURE: 476600 -29.2247 -134.544 -53.2304 17.0001 -17.6265 -158.602 -113.792 17.356 301.531 PRESSAVG: 476600 -18.8984 14.3791 37.1679 14.3791 -31.6496 15.0467 37.1679 15.0467 0.221178 GPRESSAVG: 476600 -19.0282 13.9732 38.3334 16.1479 -30.1883 14.0571 36.6493 16.2129 -0.610759 TIMING: 476600 CPU: 1500.96, 0.00313477/step Wall: 1500.96, 0.00313477/step, 3.93884 hours remaining, 234.687500 MB of memory in use. ENERGY: 476600 4003.8590 20526.8179 14453.4924 232.1168 -202939.7971 2143.1130 0.0000 0.0000 52001.5328 -109578.8653 298.8535 -161580.3981 -109225.4495 298.8245 55.1784 84.8932 761571.3242 -16.7756 -16.6091 PRESSURE: 476800 135.95 -27.4178 -63.0086 -27.4184 -99.2519 163.023 -63.009 163.023 143.1 GPRESSURE: 476800 156.565 13.0273 26.8125 -10.975 -59.1742 98.7363 -105.39 243.218 143.614 PRESSAVG: 476800 -3.71066 -7.09868 -11.9502 -7.09867 18.3016 35.1383 -11.9501 35.1382 20.5245 GPRESSAVG: 476800 -3.22077 -5.50753 -12.4681 -9.74186 17.7221 36.5276 -11.6767 35.6475 20.7705 TIMING: 476800 CPU: 1501.58, 0.00313121/step Wall: 1501.58, 0.00313121/step, 3.93419 hours remaining, 234.820312 MB of memory in use. ENERGY: 476800 4042.2574 20542.7922 14498.6614 271.1480 -203558.3662 2614.6524 0.0000 0.0000 52161.2985 -109427.5564 299.7717 -161588.8548 -109061.5290 299.4306 59.9325 80.3349 760883.6704 11.7051 11.7572 PRESSURE: 477000 -200.571 -280.757 -250.941 -280.757 175.277 -49.5837 -250.941 -49.5835 -79.1893 GPRESSURE: 477000 -215.296 -315.86 -273.11 -215.101 249.137 -64.2103 -218.703 59.7435 -79.7982 PRESSAVG: 477000 -21.3148 -58.575 -45.0821 -58.5751 49.8103 9.31989 -45.0821 9.31993 4.80113 GPRESSAVG: 477000 -21.6674 -60.0258 -44.5718 -56.5016 49.4203 9.11768 -45.0633 10.067 5.26191 TIMING: 477000 CPU: 1502.21, 0.00313526/step Wall: 1502.21, 0.00313526/step, 3.93911 hours remaining, 234.820312 MB of memory in use. ENERGY: 477000 4064.8237 20515.7989 14483.2155 241.8291 -203726.8670 2729.3636 0.0000 0.0000 52244.0148 -109447.8215 300.2471 -161691.8363 -109083.9828 299.7321 -34.8279 -15.3190 761399.1919 11.0989 11.0049 PRESSURE: 477200 124.502 21.9366 -61.1291 21.9365 80.4285 22.3142 -61.1287 22.3126 -160.069 GPRESSURE: 477200 194.208 24.8119 -148.744 -44.7387 119.118 12.3424 11.1485 155.001 -179.55 PRESSAVG: 477200 -19.3426 -61.2594 56.2482 -61.2595 41.7015 25.1706 56.2482 25.1707 22.5821 GPRESSAVG: 477200 -17.4163 -62.507 55.2891 -61.9526 40.7873 24.4362 55.9781 23.7344 21.5386 TIMING: 477200 CPU: 1502.84, 0.00314572/step Wall: 1502.84, 0.00314572/step, 3.95207 hours remaining, 234.820312 MB of memory in use. ENERGY: 477200 3959.1455 20602.6763 14393.1472 235.8976 -203306.3714 2384.6352 0.0000 0.0000 52136.2896 -109594.5799 299.6280 -161730.8695 -109227.1104 299.8834 14.9536 44.5923 758975.8826 14.9803 14.9698 PRESSURE: 477400 -296.854 -127.715 -76.6907 -127.715 164.591 99.0535 -76.6915 99.0534 28.6508 GPRESSURE: 477400 -227.129 -7.53182 -44.7031 -222.349 231.347 -0.620342 -98.4495 98.9358 -16.9647 PRESSAVG: 477400 -35.5376 -74.598 -35.7316 -74.598 -10.5568 18.3556 -35.7316 18.3556 -11.5132 GPRESSAVG: 477400 -36.7828 -72.5597 -35.4306 -76.195 -9.29629 18.0314 -35.3164 17.8476 -10.5747 TIMING: 477400 CPU: 1503.47, 0.00312708/step Wall: 1503.47, 0.00312708/step, 3.92848 hours remaining, 234.820312 MB of memory in use. ENERGY: 477400 3920.7620 20724.4209 14343.7188 267.1496 -203668.3316 2541.3833 0.0000 0.0000 52407.4459 -109463.4511 301.1863 -161870.8970 -109095.1650 299.3128 -34.5373 -4.2488 759832.4405 -19.2025 -18.8846 PRESSURE: 477600 -355.303 -157.768 96.7115 -157.768 245.39 146.863 96.7112 146.862 -69.806 GPRESSURE: 477600 -271.213 -16.8773 174.276 -168.671 220.919 238.36 -27.7666 -40.2899 -54.6584 PRESSAVG: 477600 -25.4241 -50.1516 -40.0001 -50.1516 78.2266 25.3508 -40 25.3508 5.09027 GPRESSAVG: 477600 -25.2729 -50.6618 -39.7926 -48.0265 77.0691 25.6499 -38.8341 26.6765 6.11785 TIMING: 477600 CPU: 1504.09, 0.0031163/step Wall: 1504.09, 0.0031163/step, 3.91477 hours remaining, 234.820312 MB of memory in use. ENERGY: 477600 3982.9505 20524.4995 14519.6898 247.5022 -203577.6598 2763.0611 0.0000 0.0000 52065.0341 -109474.9227 299.2185 -161539.9567 -109114.8468 300.1075 -59.9062 -34.9840 759514.9873 19.2976 19.3047 PRESSURE: 477800 -319.512 -7.70067 -46.0935 -7.6996 -97.7257 17.6876 -46.0938 17.6868 -164.21 GPRESSURE: 477800 -342.036 -61.9323 -50.9654 -39.0059 1.46806 83.5809 -93.6073 -101.566 -169.243 PRESSAVG: 477800 -50.4807 4.19395 -3.96673 4.19398 42.7506 -26.5212 -3.96679 -26.5212 7.44637 GPRESSAVG: 477800 -50.4766 1.87052 -3.3114 3.10094 43.4656 -26.5361 -4.80022 -27.0222 5.86383 TIMING: 477800 CPU: 1504.72, 0.00314585/step Wall: 1504.72, 0.00314585/step, 3.95172 hours remaining, 234.820312 MB of memory in use. ENERGY: 477800 3987.5483 20662.6985 14572.8357 243.2132 -203349.8394 2449.3215 0.0000 0.0000 52126.6203 -109307.6019 299.5724 -161434.2222 -108936.0611 300.0967 -193.8157 -169.9372 761131.9986 -0.0946 -0.3824 PRESSURE: 478000 -232.279 -53.5287 136.938 -53.5288 -81.5653 -91.0572 136.939 -91.0568 -179.855 GPRESSURE: 478000 -311.121 86.9995 111.472 -170.339 70.0718 -132.481 46.6387 48.8056 -166.824 PRESSAVG: 478000 -14.8403 -46.6371 -40.3241 -46.6371 25.9558 -80.3903 -40.3241 -80.3903 -4.75473 GPRESSAVG: 478000 -15.8588 -44.7399 -40.7756 -44.4831 26.3911 -78.836 -43.4993 -78.5906 -4.04978 TIMING: 478000 CPU: 1505.34, 0.0031209/step Wall: 1505.34, 0.00312091/step, 3.9202 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 478000 3952.6149 20577.0008 14506.4436 258.9710 -202794.8462 2080.4882 0.0000 0.0000 52068.5497 -109350.7781 299.2387 -161419.3278 -108992.2358 300.0173 -164.5663 -135.9576 758580.6894 2.1203 2.1608 PRESSURE: 478200 -269.103 -102.353 143.391 -102.353 71.7419 -62.5217 143.392 -62.5217 -26.961 GPRESSURE: 478200 -87.3529 -36.4291 185.229 3.61106 -38.7086 -188.367 195.3 48.9274 11.1511 PRESSAVG: 478200 4.31259 -51.9139 17.7936 -51.9139 12.177 7.81127 17.7935 7.81122 10.2403 GPRESSAVG: 478200 5.5584 -51.2646 17.537 -56.0351 11.8098 8.28614 20.7694 6.29068 9.73804 TIMING: 478200 CPU: 1505.97, 0.00314547/step Wall: 1505.97, 0.00314547/step, 3.95089 hours remaining, 234.820312 MB of memory in use. ENERGY: 478200 3967.9005 20517.9499 14539.7348 253.5950 -203516.5457 2658.0378 0.0000 0.0000 52131.3160 -109448.0118 299.5994 -161579.3278 -109089.6179 299.9933 -74.7741 -38.3035 760145.7014 8.9100 9.0354 PRESSURE: 478400 -216.54 27.6563 -62.2269 27.6562 -504.118 117.744 -62.2279 117.745 -241.909 GPRESSURE: 478400 -194.356 102.576 -89.0703 11.6612 -457.579 50.1729 3.81125 118.664 -242.326 PRESSAVG: 478400 -1.18979 -29.8378 16.168 -29.8378 5.393 27.1412 16.168 27.1411 14.9751 GPRESSAVG: 478400 -2.40981 -32.5979 15.3272 -26.9247 5.7826 25.7233 19.0955 29.0935 15.3807 TIMING: 478400 CPU: 1506.59, 0.00311558/step Wall: 1506.59, 0.00311558/step, 3.91317 hours remaining, 234.820312 MB of memory in use. ENERGY: 478400 4037.6445 20541.1436 14480.6351 268.3372 -203100.7839 2140.4863 0.0000 0.0000 52081.6866 -109550.8506 299.3142 -161632.5372 -109191.3885 299.8633 -320.8557 -298.0874 761050.8327 6.3928 6.2511 PRESSURE: 478600 -405.012 -114.003 70.5101 -114.003 -301.075 86.7776 70.5101 86.7776 59.0601 GPRESSURE: 478600 -373.312 -13.2789 41.1341 -157.508 -282.203 158.451 21.1774 89.6159 100.603 PRESSAVG: 478600 7.24844 -62.222 -45.3649 -62.222 -17.5899 26.4135 -45.3649 26.4134 -9.97156 GPRESSAVG: 478600 7.07897 -61.5601 -44.3585 -62.6209 -17.7929 28.1524 -47.396 22.9454 -9.45912 TIMING: 478600 CPU: 1507.22, 0.00311431/step Wall: 1507.22, 0.00311432/step, 3.91141 hours remaining, 234.820312 MB of memory in use. ENERGY: 478600 4037.9550 20509.0179 14458.7077 238.5245 -203219.5752 2218.9298 0.0000 0.0000 52130.3989 -109626.0415 299.5941 -161756.4403 -109266.2736 299.6079 -215.6754 -184.9709 758712.7613 -6.7710 -6.7244 PRESSURE: 478800 -106.961 -127.251 4.59955 -127.251 -191.895 -139.386 4.59885 -139.386 -380.675 GPRESSURE: 478800 -35.6201 -190.137 -16.6591 -44.0409 -213.166 -102.2 -19.4701 -71.8023 -351.889 PRESSAVG: 478800 19.0056 -65.5211 -35.7444 -65.5212 -18.0124 -4.54575 -35.7444 -4.54574 -10.9414 GPRESSAVG: 478800 19.3467 -66.0186 -36.6841 -64.9433 -17.6226 -2.9358 -34.3659 -2.94193 -11.5888 TIMING: 478800 CPU: 1507.84, 0.00311214/step Wall: 1507.84, 0.00311213/step, 3.9085 hours remaining, 234.820312 MB of memory in use. ENERGY: 478800 3910.7546 20508.7989 14414.1695 251.2141 -203410.4586 2170.3016 0.0000 0.0000 52449.9669 -109705.2530 301.4307 -162155.2199 -109342.1019 299.6148 -226.5099 -200.2252 758513.8410 -3.3161 -3.2882 PRESSURE: 479000 -286.43 -117.057 5.62274 -117.057 -188.833 -222.678 5.62187 -222.677 -336.32 GPRESSURE: 479000 -338.52 -23.3781 -51.6504 -97.3629 -80.744 -257.15 67.0167 -77.3075 -296.813 PRESSAVG: 479000 -32.8955 -64.5272 -2.89795 -64.5272 -12.9164 35.4829 -2.89795 35.483 -0.122698 GPRESSAVG: 479000 -33.3798 -61.5362 -2.93063 -66.9404 -12.9546 32.9906 -3.2001 35.3823 0.999613 TIMING: 479000 CPU: 1508.46, 0.0031048/step Wall: 1508.46, 0.0031048/step, 3.89911 hours remaining, 234.820312 MB of memory in use. ENERGY: 479000 3974.4199 20531.7150 14498.5907 244.7452 -203344.0404 2381.0957 0.0000 0.0000 51951.3846 -109762.0893 298.5653 -161713.4739 -109411.8261 299.5127 -270.5276 -238.6923 759768.0881 -15.3115 -15.1116 PRESSURE: 479200 -130.378 -72.9695 -76.0716 -72.9709 -119.37 274.283 -76.0714 274.283 -352.356 GPRESSURE: 479200 -36.2262 -193.928 8.78039 -176.781 -78.2745 302.739 -52.2055 227.902 -404.613 PRESSAVG: 479200 -44.0584 -17.1542 -14.6739 -17.1542 37.0107 44.0913 -14.6739 44.0914 -10.8911 GPRESSAVG: 479200 -42.2666 -18.7384 -14.4169 -18.0744 36.2182 43.8899 -16.2162 45.4395 -11.6389 TIMING: 479200 CPU: 1509.09, 0.00312761/step Wall: 1509.09, 0.00312761/step, 3.92758 hours remaining, 234.820312 MB of memory in use. ENERGY: 479200 3895.0795 20605.2200 14451.3028 262.9705 -203092.6871 2148.6904 0.0000 0.0000 52030.7279 -109698.6961 299.0213 -161729.4240 -109334.5183 299.5723 -200.7014 -173.0379 760117.5952 -5.9796 -5.8958 PRESSURE: 479400 126.827 -163.333 -54.0351 -163.333 44.7015 -25.5203 -54.0355 -25.5204 494.045 GPRESSURE: 479400 143.615 -200.716 -32.6598 -145.034 67.1744 -13.8561 -74.1612 -3.52307 522.816 PRESSAVG: 479400 43.2078 -50.8737 -11.693 -50.8738 -58.168 15.5521 -11.693 15.5521 12.6556 GPRESSAVG: 479400 42.0934 -50.5676 -10.6963 -48.9093 -57.4399 16.3206 -10.74 15.5994 12.7282 TIMING: 479400 CPU: 1509.71, 0.00311774/step Wall: 1509.71, 0.00311774/step, 3.91502 hours remaining, 234.820312 MB of memory in use. ENERGY: 479400 3877.7657 20449.3370 14401.0455 237.4911 -203342.4751 2316.9148 0.0000 0.0000 52225.3475 -109834.5735 300.1398 -162059.9211 -109469.4822 299.3118 221.8579 244.5351 759895.1474 -0.7682 -0.8728 PRESSURE: 479600 -30.8601 -197.075 -7.27283 -197.074 -280.204 121.854 -7.27142 121.855 -29.23 GPRESSURE: 479600 50.3111 -202.037 -49.8993 -158.851 -242.583 69.7072 -60.1367 177.989 -64.3695 PRESSAVG: 479600 -49.1828 -51.5197 30.8481 -51.5197 40.8149 32.2569 30.848 32.2569 -8.76298 GPRESSAVG: 479600 -48.752 -51.9391 29.6993 -53.1467 40.0183 33.2725 30.1842 31.6584 -8.52504 TIMING: 479600 CPU: 1510.33, 0.00311916/step Wall: 1510.33, 0.00311916/step, 3.91662 hours remaining, 234.820312 MB of memory in use. ENERGY: 479600 4044.0877 20489.3944 14413.8423 229.7550 -203671.5272 2455.0683 0.0000 0.0000 52304.9574 -109734.4221 300.5973 -162039.3795 -109363.2397 299.5506 -113.4313 -85.5472 761821.9561 -5.7103 -5.7529 PRESSURE: 479800 -339.739 -295.503 74.6938 -295.503 -265.249 61.6833 74.6938 61.682 -366.063 GPRESSURE: 479800 -204.233 -367.669 79.6856 -256.335 -289.865 23.4875 16.8366 5.19356 -398.996 PRESSAVG: 479800 -37.0755 -8.43267 12.987 -8.43271 39.9023 32.3934 12.987 32.3934 -9.80216 GPRESSAVG: 479800 -36.0429 -8.79832 11.6796 -5.25015 39.2434 31.6681 13.2566 32.0508 -10.3621 TIMING: 479800 CPU: 1510.95, 0.00310569/step Wall: 1510.95, 0.00310569/step, 3.89954 hours remaining, 234.820312 MB of memory in use. ENERGY: 479800 4010.5043 20515.0205 14365.8666 253.7212 -203333.6190 2358.0277 0.0000 0.0000 52056.1521 -109774.3266 299.1674 -161830.4786 -109408.2018 299.2375 -323.6836 -297.6979 762213.4263 -2.3251 -2.3872 PRESSURE: 480000 -307.905 -88.8848 -88.7778 -88.8833 51.5368 -211.292 -88.7784 -211.292 -218.59 GPRESSURE: 480000 -222.964 -40.1224 -64.8637 -60.6926 139.307 -198.588 -92.9897 -255.288 -289.174 PRESSAVG: 480000 -46.8321 -69.9068 -54.7376 -69.9068 31.3736 16.6543 -54.7376 16.6543 -5.76051 GPRESSAVG: 480000 -47.3329 -70.8539 -53.594 -70.302 32.4974 15.5078 -52.8627 16.8997 -6.52984 TIMING: 480000 CPU: 1511.58, 0.00314478/step Wall: 1511.58, 0.00314478/step, 3.94845 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 480000 4049.6819 20511.0568 14385.0876 257.1688 -203511.5328 2436.4331 0.0000 0.0000 52128.6935 -109743.4111 299.5843 -161872.1045 -109383.0413 298.9524 -158.3194 -124.2769 761494.3759 -7.0730 -7.1218 PRESSURE: 480200 148.809 -70.011 -61.6534 -70.0111 86.5559 62.3264 -61.6536 62.3274 267.01 GPRESSURE: 480200 239.477 -47.1406 26.8367 2.51844 163.892 173.301 -74.6974 -33.7874 206.252 PRESSAVG: 480200 14.7268 -22.002 -1.36481 -22.002 3.78782 -37.0075 -1.3649 -37.0075 19.6209 GPRESSAVG: 480200 14.5579 -19.2222 -1.0465 -23.8344 3.16919 -36.1516 -3.67589 -38.4333 20.4602 TIMING: 480200 CPU: 1512.21, 0.00310944/step Wall: 1512.21, 0.00310944/step, 3.9039 hours remaining, 234.820312 MB of memory in use. ENERGY: 480200 3981.6444 20463.0918 14458.3003 240.1018 -203828.2554 2686.8851 0.0000 0.0000 52236.1279 -109762.1040 300.2017 -161998.2319 -109392.2975 299.5556 167.4584 203.2066 759906.7521 12.7118 12.7291 LDB: ============= START OF LOAD BALANCING ============== 1524.6 LDB: ============== END OF LOAD BALANCING =============== 1524.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1524.6 LDB: ============= START OF LOAD BALANCING ============== 1524.92 LDB: Largest compute 7031 load 0.030570 is 15.6% of average load 0.195810 LDB: Average compute 0.004375 is 2.2% of average load 0.195810 LDB: TIME 1524.92 LOAD: AVG 0.19581 MAX 0.215272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.555 MB LDB: TIME 1524.92 LOAD: AVG 0.19581 MAX 0.215272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.672 MB LDB: TIME 1524.92 LOAD: AVG 0.19581 MAX 0.215272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1524.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1524.93 PRESSURE: 480400 -15.1176 29.7907 71.666 29.7904 136.211 23.169 71.6665 23.1681 -13.9537 GPRESSURE: 480400 34.8423 56.1896 90.096 13.6056 124.775 43.4377 -54.4242 -100.492 22.5572 PRESSAVG: 480400 -42.7054 -23.1361 18.4648 -23.1361 30.18 -37.0997 18.4648 -37.0996 3.86297 GPRESSAVG: 480400 -44.4927 -26.1603 18.36 -22.0877 30.7361 -38.0618 16.7044 -38.4213 5.16385 TIMING: 480400 CPU: 1512.85, 0.00321035/step Wall: 1512.85, 0.00321035/step, 4.03041 hours remaining, 232.699219 MB of memory in use. ENERGY: 480400 4037.4948 20427.9213 14455.3838 256.3144 -203389.1564 2416.8395 0.0000 0.0000 51900.9160 -109894.2865 298.2753 -161795.2025 -109540.4666 298.9818 35.7133 60.7248 761558.1044 -2.8875 -2.8643 PRESSURE: 480600 -97.6676 170.886 12.1825 170.886 372.951 -164.818 12.1825 -164.817 63.6681 GPRESSURE: 480600 -27.6381 128.515 109.056 194.204 324.107 -192.723 24.423 -129.161 101.1 PRESSAVG: 480600 -63.4977 -23.6675 0.989543 -23.6675 69.2534 -4.66472 0.989548 -4.66469 -11.0062 GPRESSAVG: 480600 -61.4353 -21.3392 1.96322 -26.2136 69.0021 -5.26584 2.70854 0.411771 -12.437 TIMING: 480600 CPU: 1513.48, 0.00315811/step Wall: 1513.48, 0.00315811/step, 3.96466 hours remaining, 232.902344 MB of memory in use. ENERGY: 480600 4024.8766 20512.5001 14470.5997 260.8347 -203556.1523 2626.1770 0.0000 0.0000 52015.6139 -109645.5503 298.9344 -161661.1642 -109289.4828 298.6493 112.9839 132.5231 758991.6758 -1.7502 -1.6234 PRESSURE: 480800 -46.2033 -217.829 37.7785 -217.829 23.2629 66.3759 37.7794 66.3756 178.131 GPRESSURE: 480800 -42.9708 -146.377 63.339 -27.0302 104.035 47.8702 91.3641 -17.4139 185.133 PRESSAVG: 480800 -39.1066 -25.4781 6.23713 -25.4781 17.4607 54.6157 6.23707 54.6157 15.7843 GPRESSAVG: 480800 -39.5408 -26.0424 5.62843 -22.5199 17.1332 56.1757 6.33397 51.8632 15.8767 TIMING: 480800 CPU: 1514.11, 0.00315819/step Wall: 1514.11, 0.00315819/step, 3.96458 hours remaining, 232.902344 MB of memory in use. ENERGY: 480800 4021.0918 20417.1919 14389.9127 249.7822 -202790.8990 2087.1792 0.0000 0.0000 51894.2591 -109731.4821 298.2370 -161625.7412 -109370.4203 298.8545 51.7303 82.0654 760909.4934 -1.9538 -2.1770 PRESSURE: 481000 149.876 -77.6113 -47.8723 -77.6113 128.785 -36.9625 -47.8732 -36.9619 48.5623 GPRESSURE: 481000 167.902 -0.999066 -94.6359 -136.994 226.457 -9.95603 -122.57 112.306 9.52799 PRESSAVG: 481000 -74.7899 43.8199 -87.4169 43.8198 43.8353 -34.7851 -87.4169 -34.7851 19.8305 GPRESSAVG: 481000 -74.9424 42.1546 -88.6151 42.7193 44.1159 -34.6279 -86.3027 -35.2944 19.8512 TIMING: 481000 CPU: 1514.74, 0.00313581/step Wall: 1514.74, 0.00313581/step, 3.93632 hours remaining, 232.902344 MB of memory in use. ENERGY: 481000 4002.9225 20448.2873 14423.6122 233.9459 -203895.1741 2720.2199 0.0000 0.0000 52159.3966 -109906.7897 299.7608 -162066.1863 -109549.5961 298.6549 109.0742 134.6290 758600.8872 -3.7080 -3.6585 PRESSURE: 481200 -78.4799 -18.0009 -44.5211 -18.0004 183.641 -394.203 -44.5198 -394.202 26.5516 GPRESSURE: 481200 -58.901 129.599 -66.8623 31.8143 237.79 -351.654 76.242 -250.037 16.1984 PRESSAVG: 481200 -55.8824 6.46168 -45.1551 6.46169 30.3901 -36.2152 -45.1551 -36.2152 0.00541429 GPRESSAVG: 481200 -55.6841 6.1589 -45.4504 6.61583 29.9868 -34.9445 -43.7134 -33.8902 -0.0148179 TIMING: 481200 CPU: 1515.37, 0.00315148/step Wall: 1515.37, 0.00315148/step, 3.95581 hours remaining, 232.902344 MB of memory in use. ENERGY: 481200 4020.0449 20340.7721 14551.3426 228.0080 -203502.9227 2613.8634 0.0000 0.0000 51711.9690 -110036.9226 297.1894 -161748.8917 -109670.7916 298.4353 43.9042 65.0293 760869.6511 -8.4956 -8.5707 PRESSURE: 481400 344.103 -113.624 -7.13179 -113.622 11.1383 -75.1505 -7.13308 -75.15 252.82 GPRESSURE: 481400 287.351 -91.6166 -44.7868 -161.847 76.7237 4.20424 94.4883 -82.3739 342.194 PRESSAVG: 481400 -12.5595 40.659 -28.8337 40.6591 0.0138495 -17.0907 -28.8337 -17.0907 -11.9557 GPRESSAVG: 481400 -13.0248 41.1093 -26.531 40.5295 -0.0845648 -17.9696 -30.2328 -17.591 -11.4461 TIMING: 481400 CPU: 1516, 0.00317121/step Wall: 1516, 0.00317121/step, 3.9804 hours remaining, 232.902344 MB of memory in use. ENERGY: 481400 3941.0636 20392.5586 14454.2089 251.4092 -203877.2185 2556.7427 0.0000 0.0000 51813.1253 -110468.1102 297.7707 -162281.2355 -110115.6145 298.1875 202.6872 235.4228 757078.3663 -8.1671 -8.1852 PRESSURE: 481600 241.236 -151.864 20.4884 -151.863 160.322 46.1025 20.4884 46.1023 24.2222 GPRESSURE: 481600 287.129 -202.123 73.6305 -17.9791 198.058 -30.9077 -58.0731 40.3537 43.5561 PRESSAVG: 481600 -1.62151 -17.4861 -38.5228 -17.4861 17.1145 -44.2566 -38.5228 -44.2567 -0.695151 GPRESSAVG: 481600 -2.16188 -16.9123 -40.2901 -18.7994 17.4077 -45.0356 -38.1893 -43.8935 -0.610919 TIMING: 481600 CPU: 1516.63, 0.0031605/step Wall: 1516.63, 0.0031605/step, 3.96678 hours remaining, 232.902344 MB of memory in use. ENERGY: 481600 3940.0181 20382.9556 14444.6330 242.4324 -203923.7820 2782.9803 0.0000 0.0000 51854.9491 -110275.8136 298.0111 -162130.7627 -109902.7472 297.7949 141.9269 176.2474 759094.4704 4.9326 4.8783 PRESSURE: 481800 262.074 -143.811 204.723 -143.811 -266.589 -88.4547 204.723 -88.4561 -57.4623 GPRESSURE: 481800 193.423 -137.944 182.333 -154.274 -174.596 -88.7825 167.13 -113.789 6.9038 PRESSAVG: 481800 48.2078 -53.1432 -18.2957 -53.1432 -28.7957 -31.3271 -18.2957 -31.3271 18.7626 GPRESSAVG: 481800 48.0182 -53.874 -18.8931 -52.2648 -28.5467 -28.0137 -18.017 -32.394 18.4398 TIMING: 481800 CPU: 1517.27, 0.00317753/step Wall: 1517.27, 0.00317753/step, 3.98797 hours remaining, 232.902344 MB of memory in use. ENERGY: 481800 4002.9841 20396.0485 14508.5450 243.6636 -203629.5027 2559.7031 0.0000 0.0000 51873.6055 -110044.9529 298.1183 -161918.5584 -109682.5301 298.4963 -20.6589 8.5772 760179.4332 12.7249 12.6371 PRESSURE: 482000 -141.874 -54.6547 21.4684 -54.6559 -176.782 -240.831 21.4684 -240.83 -6.53328 GPRESSURE: 482000 -56.9892 40.665 -38.4557 -50.7445 -93.5579 -325.056 -15.6458 -325.804 -90.3759 PRESSAVG: 482000 97.37 -46.7293 -28.92 -46.7294 -65.5138 -59.1028 -28.92 -59.1027 -4.53109 GPRESSAVG: 482000 96.2485 -46.2015 -27.8845 -46.8363 -64.9307 -59.6644 -27.1471 -59.8908 -3.80883 TIMING: 482000 CPU: 1517.91, 0.00318452/step Wall: 1517.91, 0.00318452/step, 3.99658 hours remaining, 232.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 482000 4051.8256 20473.8203 14565.3757 252.0371 -203675.1543 2461.1447 0.0000 0.0000 51887.9828 -109982.9681 298.2010 -161870.9509 -109616.6164 298.6235 -108.3965 -80.3077 759092.8876 9.1084 9.1697 PRESSURE: 482200 60.641 -209.522 -106.133 -209.522 383.587 201.963 -106.133 201.962 2.84613 GPRESSURE: 482200 249.451 -288.781 -133.467 -248.948 244.275 247.162 -165.22 35.3033 47.5671 PRESSAVG: 482200 44.8273 -82.3073 -6.31069 -82.3073 -71.8461 -0.392709 -6.31068 -0.39265 13.0989 GPRESSAVG: 482200 47.8565 -82.4024 -7.24628 -82.5228 -73.5318 -1.27637 -7.67335 2.08763 11.6511 TIMING: 482200 CPU: 1518.54, 0.00316315/step Wall: 1518.54, 0.00316315/step, 3.96957 hours remaining, 232.902344 MB of memory in use. ENERGY: 482200 3937.7664 20426.9317 14455.7573 246.5560 -203966.7046 2743.3590 0.0000 0.0000 51843.7200 -110312.6144 297.9466 -162156.3344 -109947.9275 298.5134 149.0246 180.4310 760400.4431 -4.6399 -4.6748 PRESSURE: 482400 156.729 40.9446 -25.6969 40.945 -79.3272 -8.0217 -25.6974 -8.02116 -277.499 GPRESSURE: 482400 161.899 -54.8219 37.7423 -39.5438 -28.2842 -24.8194 -83.5995 35.5031 -238.547 PRESSAVG: 482400 35.0819 -58.6625 13.0105 -58.6624 -21.4572 2.64335 13.0105 2.64338 13.5687 GPRESSAVG: 482400 34.2711 -58.2092 14.0273 -57.5892 -21.4782 1.82224 12.4147 2.89815 14.4715 TIMING: 482400 CPU: 1519.18, 0.00319765/step Wall: 1519.18, 0.00319765/step, 4.0127 hours remaining, 232.902344 MB of memory in use. ENERGY: 482400 4028.4135 20378.1092 14427.9403 246.7171 -203933.2434 2598.4756 0.0000 0.0000 51829.2157 -110424.3721 297.8632 -162253.5877 -110060.3051 298.2809 -66.6991 -34.9771 759053.4252 9.0644 9.0881 PRESSURE: 482600 -339.042 -42.8868 -22.7525 -42.8872 -195.162 24.5907 -22.7522 24.5898 192.325 GPRESSURE: 482600 -341.082 -15.871 -53.1698 -118.76 -61.8403 26.022 -82.1874 67.599 152.897 PRESSAVG: 482600 29.9616 -62.3237 -27.9442 -62.3237 11.3109 -44.6766 -27.9441 -44.6766 7.19795 GPRESSAVG: 482600 30.3896 -63.6542 -28.8013 -63.0025 11.7908 -44.6769 -27.7944 -47.6272 6.39394 TIMING: 482600 CPU: 1519.81, 0.00316183/step Wall: 1519.81, 0.00316183/step, 3.96757 hours remaining, 232.902344 MB of memory in use. ENERGY: 482600 3974.6476 20445.0011 14415.6878 231.3645 -203605.4573 2514.8002 0.0000 0.0000 51713.8231 -110310.1329 297.2001 -162023.9560 -109950.6266 297.7060 -113.9595 -83.3416 759300.4852 16.1568 16.1914 PRESSURE: 482800 -462.887 -16.5695 44.8818 -16.5705 -393.297 -116.981 44.8816 -116.979 79.6407 GPRESSURE: 482800 -372.863 -6.51643 -39.4242 35.3378 -415.923 -24.7128 41.4228 8.56543 99.9339 PRESSAVG: 482800 67.8246 -97.8261 27.6237 -97.8261 -70.274 -15.093 27.6237 -15.0931 -8.8664 GPRESSAVG: 482800 67.4941 -96.0313 29.064 -98.0763 -69.9111 -14.4929 27.5829 -13.6533 -8.4637 TIMING: 482800 CPU: 1520.44, 0.00315378/step Wall: 1520.44, 0.00315378/step, 3.95729 hours remaining, 232.902344 MB of memory in use. ENERGY: 482800 3998.1835 20414.0330 14505.6852 252.3082 -203581.8936 2086.0637 0.0000 0.0000 52163.6076 -110162.0124 299.7850 -162325.6201 -109792.4603 298.1111 -258.8479 -229.6171 760166.8075 -3.7719 -3.6269 PRESSURE: 483000 234.589 22.3026 165.094 22.3026 -39.5148 -133.273 165.094 -133.272 485.206 GPRESSURE: 483000 315.151 46.2016 36.5166 143.1 -74.6538 -76.5392 107.405 -109.649 516.56 PRESSAVG: 483000 -24.0628 -31.7846 8.2887 -31.7846 0.894609 1.29136 8.28872 1.2913 4.17965 GPRESSAVG: 483000 -22.2761 -32.4764 4.83595 -31.8775 -0.543945 0.81213 8.62955 4.03598 3.82204 TIMING: 483000 CPU: 1521.07, 0.00314995/step Wall: 1521.07, 0.00314995/step, 3.95231 hours remaining, 232.902344 MB of memory in use. ENERGY: 483000 3940.9536 20549.2799 14488.7072 243.1789 -204117.9881 2879.1387 0.0000 0.0000 51826.1961 -110190.5337 297.8459 -162016.7298 -109842.3401 298.5694 226.7599 252.3522 759272.7070 -6.3295 -6.3327 PRESSURE: 483200 -163.677 -67.6964 -209.937 -67.6968 -278.586 2.69251 -209.937 2.69313 -80.6063 GPRESSURE: 483200 -117.499 -91.2832 -162.102 -29.2588 -162.035 -10.3851 -72.1001 5.98031 -137.392 PRESSAVG: 483200 3.23892 -60.4784 25.8396 -60.4784 -28.1247 -9.18344 25.8395 -9.18344 3.98439 GPRESSAVG: 483200 3.11895 -60.0955 28.3018 -59.6062 -27.1282 -9.4986 25.4059 -11.756 3.42843 TIMING: 483200 CPU: 1521.7, 0.00313656/step Wall: 1521.7, 0.00313656/step, 3.93534 hours remaining, 232.902344 MB of memory in use. ENERGY: 483200 3955.0019 20329.7475 14478.7525 249.6409 -203368.8757 2160.2279 0.0000 0.0000 51981.9506 -110213.5544 298.7410 -162195.5049 -109843.5288 298.5729 -174.2898 -138.9756 762253.5032 -6.9671 -6.8603 PRESSURE: 483400 176.646 0.743714 -13.0435 0.744215 -211.423 -9.67444 -13.0436 -9.67401 -146.104 GPRESSURE: 483400 205.324 93.4861 -73.1422 -18.0931 -218.135 -4.93505 11.9036 -10.072 -89.5173 PRESSAVG: 483400 10.0531 -0.288742 4.47471 -0.28872 -27.0236 31.5161 4.4747 31.5161 10.7386 GPRESSAVG: 483400 10.4178 -0.485717 2.95543 -1.69076 -26.8744 31.8436 5.19053 31.7821 10.817 TIMING: 483400 CPU: 1522.33, 0.00316144/step Wall: 1522.33, 0.00316144/step, 3.96637 hours remaining, 232.902344 MB of memory in use. ENERGY: 483400 3891.7563 20511.4985 14452.5935 247.4129 -203788.4476 2627.1491 0.0000 0.0000 51803.3773 -110254.6600 297.7147 -162058.0373 -109889.3744 298.0583 -60.2936 -34.1096 760289.8740 -2.0773 -1.8799 PRESSURE: 483600 295.855 -157.344 -67.2731 -157.343 246.299 -33.4734 -67.274 -33.4729 223.068 GPRESSURE: 483600 313.781 -205.093 -108.437 -106.186 205.966 -67.6874 -85.1313 -79.0682 318.262 PRESSAVG: 483600 -15.8994 -76.936 -13.8714 -76.936 -7.40511 8.44723 -13.8714 8.44725 -2.44644 GPRESSAVG: 483600 -17.9084 -74.9148 -12.2338 -75.7694 -6.78379 7.0907 -14.9544 9.92217 -1.4596 TIMING: 483600 CPU: 1522.96, 0.00315364/step Wall: 1522.96, 0.00315364/step, 3.95642 hours remaining, 232.902344 MB of memory in use. ENERGY: 483600 3970.5587 20537.4142 14531.7082 245.2808 -203687.9144 2605.4379 0.0000 0.0000 51816.1614 -109981.3532 297.7882 -161797.5145 -109622.2123 298.1219 255.0742 279.3362 760205.4348 -8.5837 -8.7173 PRESSURE: 483800 -188.516 10.6275 -200.709 10.6274 42.8311 66.2481 -200.709 66.2482 138.855 GPRESSURE: 483800 -78.24 14.1588 -307.391 115.507 37.6152 127.203 -170.431 38.4968 111.079 PRESSAVG: 483800 11.1603 -74.5751 27.2324 -74.5751 -8.57258 33.0658 27.2324 33.0657 16.1424 GPRESSAVG: 483800 10.7788 -76.6879 28.5651 -74.7501 -8.96895 34.1384 26.538 31.6542 17.0337 TIMING: 483800 CPU: 1523.59, 0.00315976/step Wall: 1523.59, 0.00315976/step, 3.96391 hours remaining, 232.902344 MB of memory in use. ENERGY: 483800 3989.0893 20650.9268 14505.9074 237.4242 -203444.6275 2423.4070 0.0000 0.0000 52030.5442 -109607.3285 299.0203 -161637.8727 -109245.3837 298.7669 -2.2767 23.4846 760457.6894 6.2434 6.2812 PRESSURE: 484000 50.45 -95.6345 300.839 -95.634 -137.879 -166.643 300.839 -166.644 58.0808 GPRESSURE: 484000 92.7963 -92.7576 405.888 25.2588 -137.336 -129.339 322.351 -155.894 94.3726 PRESSAVG: 484000 33.1121 -49.866 36.074 -49.866 -50.3759 -30.9813 36.074 -30.9812 18.1799 GPRESSAVG: 484000 33.9592 -50.0997 34.8388 -50.7157 -51.1206 -31.4643 36.2801 -29.7004 18.2034 TIMING: 484000 CPU: 1524.23, 0.0031786/step Wall: 1524.23, 0.0031786/step, 3.98737 hours remaining, 232.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 484000 3995.6682 20402.5092 14493.1683 248.5939 -203691.6744 2633.6653 0.0000 0.0000 52181.1125 -109736.9571 299.8856 -161918.0696 -109370.5439 298.9209 -9.7827 16.6110 759039.1038 0.3054 0.3473 PRESSURE: 484200 64.1464 68.8246 -54.1197 68.8251 -0.735957 40.279 -54.1188 40.2778 177.741 GPRESSURE: 484200 120.168 90.1949 -65.9049 92.9001 19.9096 47.6835 -131.028 82.8205 193.529 PRESSAVG: 484200 32.4171 9.57023 30.4734 9.57025 -19.9403 10.6265 30.4734 10.6265 -16.1313 GPRESSAVG: 484200 32.865 7.33284 30.4546 10.5431 -20.3537 10.7534 33.0366 8.45086 -16.701 TIMING: 484200 CPU: 1524.87, 0.00320084/step Wall: 1524.87, 0.00320084/step, 4.0151 hours remaining, 232.902344 MB of memory in use. ENERGY: 484200 3926.6376 20514.6780 14433.2272 249.9715 -203214.3323 2515.2467 0.0000 0.0000 51933.4768 -109641.0945 298.4624 -161574.5713 -109278.4991 299.0716 80.3837 111.2023 760542.1298 -1.2182 -1.3966 LDB: ============= START OF LOAD BALANCING ============== 1537.27 LDB: ============== END OF LOAD BALANCING =============== 1537.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1537.27 LDB: ============= START OF LOAD BALANCING ============== 1537.59 LDB: Largest compute 7070 load 0.032960 is 16.8% of average load 0.195805 LDB: Average compute 0.004366 is 2.2% of average load 0.195805 LDB: TIME 1537.6 LOAD: AVG 0.195805 MAX 0.218298 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.727 MB LDB: TIME 1537.6 LOAD: AVG 0.195805 MAX 0.218298 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.793 MB LDB: TIME 1537.6 LOAD: AVG 0.195805 MAX 0.218298 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.793 MB LDB: ============== END OF LOAD BALANCING =============== 1537.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1537.6 PRESSURE: 484400 -291.213 -40.2511 96.8932 -40.2503 99.3181 -55.1816 96.8926 -55.183 14.9662 GPRESSURE: 484400 -214.14 -182.799 88.5971 -19.8229 -27.5025 -58.1522 -127.525 118.675 119.251 PRESSAVG: 484400 31.9117 -36.2811 16.0803 -36.2811 -22.7183 29.193 16.0803 29.193 17.1697 GPRESSAVG: 484400 32.6598 -31.9968 15.6478 -37.7729 -22.8789 30.4491 13.6329 29.5027 16.2406 TIMING: 484400 CPU: 1525.52, 0.00325543/step Wall: 1525.52, 0.00325543/step, 4.0834 hours remaining, 231.984375 MB of memory in use. ENERGY: 484400 3941.5379 20434.3448 14467.3505 255.9375 -203317.5429 2527.8552 0.0000 0.0000 52014.6548 -109675.8621 298.9289 -161690.5169 -109311.1077 299.2333 -58.9763 -40.7970 759750.4920 8.7877 8.6738 PRESSURE: 484600 208.664 -52.5767 10.3552 -52.5775 -128.378 -71.3794 10.3543 -71.3788 182.481 GPRESSURE: 484600 266.477 -34.4696 15.5024 -29.4972 -74.1518 -119.919 38.9658 -119.396 163.224 PRESSAVG: 484600 37.2307 -34.5268 11.1006 -34.5267 -16.9164 -5.97132 11.1005 -5.97132 2.34329 GPRESSAVG: 484600 37.4084 -35.703 11.5102 -34.4227 -17.7127 -7.88033 12.7607 -6.54259 3.10268 TIMING: 484600 CPU: 1526.16, 0.00317639/step Wall: 1526.16, 0.00317639/step, 3.98408 hours remaining, 231.984375 MB of memory in use. ENERGY: 484600 3892.5577 20458.2387 14392.6446 240.6332 -203736.7620 2671.9915 0.0000 0.0000 52204.8200 -109875.8761 300.0218 -162080.6962 -109510.5393 298.9026 87.5890 118.5163 760036.9686 7.5525 7.5995 PRESSURE: 484800 193.146 -76.421 244.704 -76.422 232.206 16.3479 244.703 16.3472 473.883 GPRESSURE: 484800 215.516 17.0141 169.514 -84.1372 298.515 1.75835 229.272 -5.41529 472.632 PRESSAVG: 484800 -2.36319 -3.92363 58.529 -3.92375 -28.4816 26.5828 58.5289 26.5828 -16.1137 GPRESSAVG: 484800 -3.37218 -3.73152 57.7802 -4.49083 -27.3218 27.9258 57.717 27.7162 -16.0349 TIMING: 484800 CPU: 1526.78, 0.00313768/step Wall: 1526.78, 0.00313768/step, 3.93535 hours remaining, 231.984375 MB of memory in use. ENERGY: 484800 3928.9281 20472.1864 14471.6659 236.4745 -203436.7758 2448.3986 0.0000 0.0000 51955.7292 -109923.3932 298.5903 -161879.1223 -109559.0552 298.5463 299.7448 328.8876 759275.6200 -15.6528 -15.5763 PRESSURE: 485000 -268.051 -77.3048 -33.0254 -77.305 153.516 203.196 -33.0256 203.195 45.6299 GPRESSURE: 485000 -156.271 56.1297 -119.782 -87.7193 94.542 101.376 -22.464 205.909 76.7935 PRESSAVG: 485000 37.91 -22.9643 13.1524 -22.9644 -60.0569 2.46124 13.1525 2.46127 25.1975 GPRESSAVG: 485000 37.9108 -23.9679 12.2953 -20.9016 -60.9231 1.66137 11.2383 3.04813 25.4472 TIMING: 485000 CPU: 1527.42, 0.00316461/step Wall: 1527.42, 0.00316461/step, 3.96894 hours remaining, 232.187500 MB of memory in use. ENERGY: 485000 3969.6705 20450.7497 14496.8456 235.1302 -203375.9084 2305.8673 0.0000 0.0000 52059.7624 -109857.8827 299.1882 -161917.6451 -109504.1401 299.0312 -22.9684 5.0216 760282.7425 1.0169 0.8116 PRESSURE: 485200 143.492 -5.94596 125.41 -5.94589 150.898 29.5133 125.41 29.5135 139.109 GPRESSURE: 485200 118.344 -107.571 76.0377 49.984 202.081 101.052 108.926 82.2838 207.047 PRESSAVG: 485200 5.62024 -23.7381 -14.4147 -23.7381 22.1097 -3.79383 -14.4147 -3.79379 -17.9447 GPRESSAVG: 485200 5.41861 -24.4901 -12.0533 -24.7158 22.4837 -2.88581 -15.1703 -4.02489 -17.965 TIMING: 485200 CPU: 1528.05, 0.00314893/step Wall: 1528.05, 0.00314893/step, 3.9491 hours remaining, 232.187500 MB of memory in use. ENERGY: 485200 3909.1306 20524.8107 14508.2843 249.8581 -203562.2085 2744.4702 0.0000 0.0000 51866.5669 -109759.0878 298.0779 -161625.6547 -109396.4444 298.8850 144.4998 175.8239 760092.3980 3.2617 3.3124 PRESSURE: 485400 376.107 -92.5399 366.946 -92.5391 297.648 -44.4922 366.946 -44.4921 410.596 GPRESSURE: 485400 427.962 -57.8141 314.994 -85.409 239.988 -40.8337 338.317 -125.839 499.644 PRESSAVG: 485400 4.29521 -19.5443 31.2351 -19.5443 -39.4726 -10.7668 31.2352 -10.7668 2.65227 GPRESSAVG: 485400 4.59984 -19.0008 30.2108 -20.9893 -40.4854 -12.4292 32.141 -11.5198 2.54018 TIMING: 485400 CPU: 1528.68, 0.00315722/step Wall: 1528.68, 0.00315722/step, 3.95933 hours remaining, 232.187500 MB of memory in use. ENERGY: 485400 3895.7972 20448.2280 14456.7340 248.1588 -203541.8937 2691.8891 0.0000 0.0000 52027.2111 -109773.8755 299.0011 -161801.0865 -109408.9446 298.9737 361.4504 389.1980 759403.3620 -10.8417 -11.1151 PRESSURE: 485600 -60.9524 0.912946 9.31906 0.913417 -226.324 -37.3542 9.31908 -37.3554 129.155 GPRESSURE: 485600 -91.9547 58.8464 60.9748 0.27895 -154.678 -96.0358 135.196 -53.3196 183.891 PRESSAVG: 485600 42.7944 -10.0342 16.2471 -10.0342 -5.0541 -51.1742 16.2472 -51.1743 -13.2805 GPRESSAVG: 485600 42.5291 -9.93554 16.5481 -10.0001 -4.77842 -51.512 18.0187 -51.9658 -13.0387 TIMING: 485600 CPU: 1529.31, 0.00316026/step Wall: 1529.31, 0.00316026/step, 3.96297 hours remaining, 232.187500 MB of memory in use. ENERGY: 485600 3927.0619 20439.8997 14545.6546 238.4548 -203286.6738 2441.5022 0.0000 0.0000 52031.8242 -109662.2765 299.0276 -161694.1007 -109299.2548 298.7059 -52.7069 -20.9141 759878.6946 8.1533 8.2373 PRESSURE: 485800 174.847 -97.4564 38.4416 -97.4557 -143.921 114.916 38.4411 114.916 -65.6479 GPRESSURE: 485800 168.715 -30.7831 34.5109 -115.859 -152.471 110.158 6.98706 68.6522 28.2227 PRESSAVG: 485800 4.44488 -3.94617 -32.6876 -3.9462 -0.351151 -49.437 -32.6875 -49.437 -6.908 GPRESSAVG: 485800 4.17639 -5.11753 -30.7933 -0.303424 -0.0412888 -48.3088 -32.7952 -48.8192 -6.80673 TIMING: 485800 CPU: 1529.94, 0.00313316/step Wall: 1529.94, 0.00313316/step, 3.92881 hours remaining, 232.187500 MB of memory in use. ENERGY: 485800 3860.9477 20620.0995 14505.5420 245.1777 -203591.9347 2426.3734 0.0000 0.0000 52341.2983 -109592.4962 300.8062 -161933.7945 -109237.6678 299.3758 -11.5740 14.8224 759145.8749 -0.9381 -0.8905 PRESSURE: 486000 -48.4853 -311.737 8.02212 -311.737 126.717 -20.8856 8.02307 -20.8855 110.183 GPRESSURE: 486000 -1.14428 -230.912 -136.528 -309.316 169.68 -25.5429 -53.0563 76.4689 94.5915 PRESSAVG: 486000 14.3921 -68.2495 12.7208 -68.2495 -29.5041 0.249886 12.7207 0.249864 -20.585 GPRESSAVG: 486000 14.1176 -67.1695 11.6943 -69.877 -29.7434 1.17676 9.36716 0.385052 -20.5442 TIMING: 486000 CPU: 1530.57, 0.00314214/step Wall: 1530.57, 0.00314214/step, 3.93989 hours remaining, 232.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 486000 4005.8777 20446.1911 14527.6080 250.1716 -203531.4351 2734.0735 0.0000 0.0000 52074.6501 -109492.8630 299.2737 -161567.5131 -109127.9752 299.3089 62.8048 87.7089 759744.5736 -11.8990 -12.0567 PRESSURE: 486200 -125.154 -87.7616 -62.5118 -87.7611 13.1651 -62.3019 -62.5118 -62.3015 58.7669 GPRESSURE: 486200 -0.0974188 -246.448 18.6613 -64.2711 -43.9307 -109.487 -92.832 -51.9305 96.5382 PRESSAVG: 486200 45.3254 -63.2565 46.5462 -63.2565 -6.54073 -37.4159 46.5462 -37.4159 -21.4325 GPRESSAVG: 486200 44.9877 -64.2193 45.4811 -63.8566 -5.4308 -39.0766 50.3868 -37.385 -21.8304 TIMING: 486200 CPU: 1531.19, 0.00312254/step Wall: 1531.19, 0.00312255/step, 3.91515 hours remaining, 232.187500 MB of memory in use. ENERGY: 486200 3981.5802 20277.7196 14472.5027 257.6523 -203321.2165 2466.2309 0.0000 0.0000 52248.7075 -109616.8234 300.2740 -161865.5310 -109247.2037 299.6838 -17.7408 17.5034 759227.5186 5.7840 5.9088 PRESSURE: 486400 21.1797 -33.0594 91.6367 -33.059 -53.6995 -166.029 91.6365 -166.028 467.243 GPRESSURE: 486400 52.4267 -27.6097 14.6805 -43.6995 -14.9332 -117.869 28.6043 -237.048 491.19 PRESSAVG: 486400 10.2755 -49.7354 46.156 -49.7354 -8.72486 -32.5481 46.156 -32.5481 -1.40415 GPRESSAVG: 486400 10.0677 -51.875 48.7055 -47.8843 -8.32637 -32.5504 42.7223 -34.2453 -0.845419 TIMING: 486400 CPU: 1531.82, 0.00314808/step Wall: 1531.82, 0.00314808/step, 3.94699 hours remaining, 232.187500 MB of memory in use. ENERGY: 486400 3925.6202 20403.4568 14509.0273 239.5235 -203598.7555 2563.1084 0.0000 0.0000 52237.7220 -109720.2972 300.2109 -161958.0192 -109357.1781 298.6711 144.9077 176.2279 759902.4787 0.0488 0.2986 PRESSURE: 486600 88.7931 141.648 39.3161 141.648 -45.5394 104.174 39.3158 104.174 270.112 GPRESSURE: 486600 109.66 84.9965 5.67873 106.576 13.2569 17.2675 93.6629 13.6598 267.75 PRESSAVG: 486600 53.34 -87.9404 23.2933 -87.9404 -10.3489 -19.9719 23.2933 -19.9718 16.51 GPRESSAVG: 486600 53.484 -87.3647 21.1733 -88.0514 -10.8658 -19.169 23.7437 -19.1934 16.2176 TIMING: 486600 CPU: 1532.45, 0.00315223/step Wall: 1532.45, 0.00315223/step, 3.95202 hours remaining, 232.187500 MB of memory in use. ENERGY: 486600 3975.1956 20434.5755 14458.3306 229.7834 -203296.9153 2593.8061 0.0000 0.0000 51926.8086 -109678.4155 298.4241 -161605.2241 -109323.8463 298.8900 104.4552 130.2223 761268.2697 19.8337 19.6119 PRESSURE: 486800 100.553 -265.488 -81.4112 -265.487 122.753 135.68 -81.4101 135.68 -50.5304 GPRESSURE: 486800 120.53 -223.631 17.5411 -91.8476 209.933 84.1905 10.1236 171.463 -47.1444 PRESSAVG: 486800 28.9004 -109.827 18.9404 -109.827 24.9418 -42.0268 18.9404 -42.0269 13.9951 GPRESSAVG: 486800 29.1008 -108.899 19.4186 -110.124 24.1823 -42.2035 20.0749 -43.2821 14.1964 TIMING: 486800 CPU: 1533.08, 0.00316298/step Wall: 1533.08, 0.00316298/step, 3.96532 hours remaining, 232.187500 MB of memory in use. ENERGY: 486800 3938.9812 20336.1660 14501.1695 253.1419 -203536.5963 2613.0662 0.0000 0.0000 51982.4172 -109911.6542 298.7437 -161894.0714 -109555.3848 298.0473 57.5916 94.4397 760151.0604 22.6124 22.4932 PRESSURE: 487000 -458.265 -2.85083 21.1742 -2.85086 49.6417 -65.8795 21.1748 -65.8798 53.8019 GPRESSURE: 487000 -411.874 -28.4114 18.8387 100.763 46.0183 -122.43 -13.0664 28.8374 87.8265 PRESSAVG: 487000 -22.9332 -77.8649 -16.1895 -77.8648 3.03823 -34.9618 -16.1894 -34.9619 -2.25129 GPRESSAVG: 487000 -23.2001 -78.4564 -15.7778 -79.1157 3.3105 -35.271 -15.1423 -34.8203 -2.46048 TIMING: 487000 CPU: 1533.71, 0.003136/step Wall: 1533.71, 0.003136/step, 3.93132 hours remaining, 232.187500 MB of memory in use. ENERGY: 487000 3977.6858 20336.5287 14470.2411 245.4633 -202863.6537 2169.8935 0.0000 0.0000 51835.9808 -109827.8606 297.9021 -161663.8413 -109456.0159 298.5393 -118.2737 -92.6764 761172.5019 -7.3821 -7.4500 PRESSURE: 487200 179.004 -192.016 306.516 -192.016 384.111 -176.582 306.516 -176.583 7.25802 GPRESSURE: 487200 269.546 -179.568 295.476 -303.777 354.477 -132.171 291.19 -147.942 45.4711 PRESSAVG: 487200 -4.99064 -40.0527 8.11997 -40.0527 8.75038 6.62937 8.11994 6.62938 43.0216 GPRESSAVG: 487200 -4.78948 -38.6772 6.15046 -40.6867 8.26049 7.98586 7.48311 7.72418 42.7528 TIMING: 487200 CPU: 1534.34, 0.00314786/step Wall: 1534.34, 0.00314786/step, 3.94602 hours remaining, 232.187500 MB of memory in use. ENERGY: 487200 3981.8098 20274.9196 14503.4358 253.5125 -203377.5176 2548.5797 0.0000 0.0000 51809.7168 -110005.5434 297.7512 -161815.2602 -109651.2367 298.2722 190.1245 223.1648 759229.2427 15.5938 15.4079 PRESSURE: 487400 150.33 275.142 123.051 275.142 48.8555 84.734 123.051 84.7332 501.497 GPRESSURE: 487400 138.253 107.832 95.5565 211.959 157.958 38.542 104.352 88.05 464.076 PRESSAVG: 487400 -35.063 -41.5899 69.622 -41.5898 15.7461 -55.8841 69.622 -55.8842 12.2799 GPRESSAVG: 487400 -34.2591 -41.3528 68.8956 -40.2023 15.1916 -55.4885 69.1658 -57.2535 12.1876 TIMING: 487400 CPU: 1534.97, 0.00313525/step Wall: 1534.97, 0.00313525/step, 3.93004 hours remaining, 232.187500 MB of memory in use. ENERGY: 487400 3837.0751 20333.1066 14414.9688 225.9933 -203932.3671 3169.9314 0.0000 0.0000 51969.3733 -109981.9186 298.6687 -161951.2919 -109615.2480 298.0175 233.5608 253.4289 760843.1680 -2.3457 -2.2933 PRESSURE: 487600 150.904 170.098 -19.817 170.098 -147.379 11.243 -19.8176 11.2437 -227.967 GPRESSURE: 487600 205.298 112.566 -52.1337 88.3025 -71.9225 -14.7835 -65.8112 46.042 -266.416 PRESSAVG: 487600 11.5884 -43.227 53.1523 -43.227 -5.97414 -29.2235 53.1523 -29.2234 -10.2503 GPRESSAVG: 487600 10.3948 -44.5418 55.44 -44.3327 -5.69451 -29.8619 53.7666 -28.5458 -9.60232 TIMING: 487600 CPU: 1535.59, 0.00312603/step Wall: 1535.59, 0.00312603/step, 3.91831 hours remaining, 232.187500 MB of memory in use. ENERGY: 487600 3845.6003 20405.7399 14443.9477 250.0894 -203238.5575 2187.0240 0.0000 0.0000 52112.6778 -109993.4785 299.4923 -162106.1563 -109626.6884 298.5341 -74.8140 -44.3471 759201.3946 -1.5453 -1.6340 PRESSURE: 487800 259.38 179.598 -60.6003 179.599 221.98 -21.6502 -60.6004 -21.649 478.513 GPRESSURE: 487800 161.781 274.613 78.4144 134.967 281.944 -46.6663 -52.6284 -218.458 580.202 PRESSAVG: 487800 -34.4571 -24.8791 39.8662 -24.8791 16.2688 4.41915 39.8662 4.41919 18.7157 GPRESSAVG: 487800 -34.354 -22.0627 39.6181 -25.4446 16.7985 4.14214 40.8091 4.25814 18.7634 TIMING: 487800 CPU: 1536.22, 0.00314988/step Wall: 1536.22, 0.00314988/step, 3.94803 hours remaining, 232.187500 MB of memory in use. ENERGY: 487800 3948.8427 20413.9347 14459.6188 240.0361 -203405.1280 2482.8797 0.0000 0.0000 51960.4113 -109899.4048 298.6172 -161859.8160 -109543.4794 298.3303 319.9575 341.3093 759328.1539 0.1758 0.4026 PRESSURE: 488000 84.4518 144.623 135.209 144.621 59.112 115.31 135.209 115.309 94.3154 GPRESSURE: 488000 143.36 44.4765 178.762 175.137 82.341 153.443 88.5171 139.129 109.519 PRESSAVG: 488000 -8.13271 -19.0017 44.3457 -19.0017 11.3028 -37.1534 44.3458 -37.1533 -27.5257 GPRESSAVG: 488000 -7.6717 -21.3853 42.3074 -18.2826 11.1221 -35.8093 42.765 -37.0367 -27.7836 TIMING: 488000 CPU: 1536.86, 0.00317212/step Wall: 1536.86, 0.00317212/step, 3.97573 hours remaining, 232.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 488000 3995.4078 20410.7688 14512.7816 245.1919 -202993.4953 2143.9311 0.0000 0.0000 51909.9487 -109775.4654 298.3272 -161685.4140 -109421.0268 298.4968 79.2931 111.7400 759443.3654 -8.1186 -8.1111 PRESSURE: 488200 74.9706 19.2469 43.009 19.2469 6.32514 -245.937 43.0091 -245.938 -289.065 GPRESSURE: 488200 171.543 -15.2427 65.8681 61.7548 -52.9213 -229.832 18.9932 -132.011 -251.629 PRESSAVG: 488200 -5.4094 -63.4098 43.8339 -63.4098 14.1837 -14.6202 43.8339 -14.6202 28.3403 GPRESSAVG: 488200 -5.80415 -62.7795 44.9189 -64.0943 14.2249 -15.5759 44.9621 -16.4355 28.7189 TIMING: 488200 CPU: 1537.49, 0.00315943/step Wall: 1537.49, 0.00315943/step, 3.95964 hours remaining, 232.187500 MB of memory in use. ENERGY: 488200 3883.2586 20325.4388 14489.5170 243.4069 -203377.4800 2429.8314 0.0000 0.0000 52319.3971 -109686.6302 300.6803 -162006.0273 -109319.6787 298.9424 -69.2565 -44.3356 758699.6154 12.3715 12.3799 LDB: ============= START OF LOAD BALANCING ============== 1549.89 LDB: ============== END OF LOAD BALANCING =============== 1549.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1549.89 LDB: ============= START OF LOAD BALANCING ============== 1550.2 LDB: Largest compute 7075 load 0.032966 is 16.8% of average load 0.195740 LDB: Average compute 0.004379 is 2.2% of average load 0.195740 LDB: TIME 1550.21 LOAD: AVG 0.19574 MAX 0.216549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 1550.21 LOAD: AVG 0.19574 MAX 0.216549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: TIME 1550.21 LOAD: AVG 0.19574 MAX 0.216549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: ============== END OF LOAD BALANCING =============== 1550.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1550.21 PRESSURE: 488400 -84.1474 -220.947 61.0487 -220.947 -230.138 -32.2827 61.0485 -32.2818 -38.0119 GPRESSURE: 488400 -103.921 -223.335 69.3492 -153.294 -161.371 -33.0176 96.5932 -125.803 12.3067 PRESSAVG: 488400 -32.4822 -71.2401 -22.4899 -71.24 -1.97525 -4.04862 -22.4898 -4.04866 1.24884 GPRESSAVG: 488400 -32.2206 -71.6715 -21.4842 -70.3615 -1.50298 -4.66476 -23.9481 -1.9611 0.870945 TIMING: 488400 CPU: 1538.13, 0.00322304/step Wall: 1538.13, 0.00322304/step, 4.03919 hours remaining, 232.667969 MB of memory in use. ENERGY: 488400 4046.6719 20431.6950 14395.3116 260.9714 -202983.3241 2167.8920 0.0000 0.0000 52105.9180 -109574.8642 299.4534 -161680.7822 -109222.6776 298.8449 -117.4326 -84.3283 760118.9847 -11.0695 -10.9509 PRESSURE: 488600 44.2287 -170.356 -12.1622 -170.356 48.1209 -103.464 -12.1607 -103.464 -172.333 GPRESSURE: 488600 113.429 -100.635 -35.6843 -38.5881 29.044 -201.176 79.5633 -96.3918 -141.078 PRESSAVG: 488600 18.0761 -30.7417 2.34658 -30.7417 7.69429 -43.0713 2.34657 -43.0712 -12.5048 GPRESSAVG: 488600 18.5154 -28.2501 1.35733 -31.488 7.29329 -43.9168 5.68062 -42.695 -11.8361 TIMING: 488600 CPU: 1538.76, 0.00313817/step Wall: 1538.76, 0.00313817/step, 3.93266 hours remaining, 232.667969 MB of memory in use. ENERGY: 488600 3889.9606 20607.1543 14474.1733 255.5311 -203581.1243 2774.2766 0.0000 0.0000 52053.4065 -109526.6219 299.1516 -161580.0284 -109167.4288 299.1820 -26.6613 0.4649 759050.2424 4.4219 4.6575 PRESSURE: 488800 121.688 85.637 44.4129 85.6362 120.787 -25.2612 44.4127 -25.2605 -244.495 GPRESSURE: 488800 150.79 18.3259 6.43306 23.5955 148.07 -42.9972 82.3976 68.8262 -208.322 PRESSAVG: 488800 19.7115 -2.185 4.74529 -2.18498 5.77455 8.47715 4.74527 8.47719 3.96124 GPRESSAVG: 488800 20.4697 -1.43098 5.09389 -3.42205 5.60759 8.94639 1.38742 7.57374 3.71727 TIMING: 488800 CPU: 1539.39, 0.00315933/step Wall: 1539.39, 0.00315933/step, 3.95899 hours remaining, 232.707031 MB of memory in use. ENERGY: 488800 4015.1745 20401.3090 14507.8976 260.2251 -202935.0308 2332.6421 0.0000 0.0000 52064.8029 -109352.9796 299.2171 -161417.7824 -108989.7019 299.2383 -0.6735 30.1797 758644.4420 9.8158 9.9315 PRESSURE: 489000 76.3464 -221.297 -186.878 -221.297 568.59 -42.4484 -186.877 -42.4492 79.7083 GPRESSURE: 489000 136.435 -109.778 -132.778 -187.585 520.589 -77.0419 -179.036 -88.1019 152.906 PRESSAVG: 489000 -5.69149 -18.5795 14.3303 -18.5795 4.57254 54.6985 14.3304 54.6985 4.39278 GPRESSAVG: 489000 -5.86993 -21.1069 14.5673 -17.2557 6.10856 55.1571 16.9312 53.3984 4.07061 TIMING: 489000 CPU: 1540.02, 0.00315678/step Wall: 1540.02, 0.00315678/step, 3.95562 hours remaining, 232.707031 MB of memory in use. ENERGY: 489000 4040.1793 20514.4529 14467.0761 245.5624 -203361.0086 2523.8093 0.0000 0.0000 52300.8110 -109269.1178 300.5735 -161569.9287 -108908.8028 300.1918 241.5482 269.9767 758956.5882 1.0913 1.4364 PRESSURE: 489200 -109.289 -78.539 -24.2831 -78.5393 -22.5178 -157.461 -24.2829 -157.461 311.362 GPRESSURE: 489200 -28.5058 18.9495 -40.9332 -116.037 60.7497 -92.7854 3.36558 -184.664 242.815 PRESSAVG: 489200 -47.8707 -37.7741 8.04424 -37.7741 58.1691 -4.45456 8.04423 -4.45455 9.84389 GPRESSAVG: 489200 -47.5634 -36.4423 8.16386 -38.0486 58.9973 -4.11789 9.43171 -2.09141 9.50947 TIMING: 489200 CPU: 1540.65, 0.00312947/step Wall: 1540.65, 0.00312947/step, 3.92123 hours remaining, 232.707031 MB of memory in use. ENERGY: 489200 3956.8404 20394.2225 14472.8075 243.9174 -202741.8237 2322.3144 0.0000 0.0000 52153.7100 -109198.0115 299.7281 -161351.7214 -108834.7355 300.5112 59.8519 91.6863 762475.3571 6.7141 6.9811 PRESSURE: 489400 -72.9353 -30.8758 -123.752 -30.8755 -137.071 117.956 -123.751 117.956 -382.32 GPRESSURE: 489400 15.5819 40.3896 -62.4728 50.0468 -140.156 40.1823 -123.911 201.981 -383.544 PRESSAVG: 489400 -22.1588 -10.1769 -31.4018 -10.1769 30.6714 9.49294 -31.4018 9.49287 -12.5943 GPRESSAVG: 489400 -21.7253 -10.7856 -32.2623 -9.19438 29.6853 8.56584 -33.1348 8.82052 -12.2906 TIMING: 489400 CPU: 1541.28, 0.0031361/step Wall: 1541.28, 0.0031361/step, 3.92935 hours remaining, 232.707031 MB of memory in use. ENERGY: 489400 4053.9275 20576.8322 14404.6270 226.3948 -203147.4968 2130.4159 0.0000 0.0000 52213.2568 -109542.0425 300.0703 -161755.2993 -109181.8547 300.0790 -197.4419 -169.3730 760232.9529 -1.3606 -1.4435 PRESSURE: 489600 -247.853 -48.1179 -8.89733 -48.1178 -59.7435 -307.902 -8.89836 -307.902 -803.216 GPRESSURE: 489600 -211.327 -87.9429 -144.055 -24.6405 -88.9958 -396.5 -60.8832 -237.531 -719.522 PRESSAVG: 489600 -14.7823 -32.2035 -34.848 -32.2034 63.7243 -30.6297 -34.848 -30.6297 -18.4548 GPRESSAVG: 489600 -14.1367 -31.6137 -35.0763 -32.4378 63.3961 -28.8141 -33.58 -31.576 -19.0906 TIMING: 489600 CPU: 1541.91, 0.00314498/step Wall: 1541.91, 0.00314498/step, 3.94031 hours remaining, 232.707031 MB of memory in use. ENERGY: 489600 3976.3879 20428.6437 14435.6762 261.3986 -203395.2466 2454.2378 0.0000 0.0000 52018.4725 -109820.4300 298.9509 -161838.9024 -109453.0372 299.2258 -370.2708 -339.9483 761215.8223 10.1624 10.0563 PRESSURE: 489800 64.1775 0.988693 -6.03192 0.9885 54.6196 18.4151 -6.03127 18.4159 565.3 GPRESSURE: 489800 129.643 -35.7709 -62.6626 22.9133 92.1177 -14.3714 -21.6387 10.2425 545.389 PRESSAVG: 489800 35.3871 -30.9144 -0.0807228 -30.9144 -52.8805 36.7656 -0.0806984 36.7657 -31.5843 GPRESSAVG: 489800 34.598 -31.8969 -1.24639 -29.3581 -53.7434 35.3319 0.716136 37.3901 -30.013 TIMING: 489800 CPU: 1542.53, 0.00314417/step Wall: 1542.53, 0.00314418/step, 3.93913 hours remaining, 232.707031 MB of memory in use. ENERGY: 489800 3999.6970 20374.3852 14433.1627 272.3530 -203677.0492 2676.7129 0.0000 0.0000 52111.4765 -109809.2620 299.4854 -161920.7385 -109446.8204 298.7541 228.0324 255.7168 760620.1017 -16.3592 -16.3861 PRESSURE: 490000 -236.961 -203.666 148.411 -203.665 -23.5188 -229.231 148.411 -229.231 -288.265 GPRESSURE: 490000 -230.316 -174.751 181.719 -177.282 15.3416 -249.279 165.453 -137.861 -238.481 PRESSAVG: 490000 42.9652 -61.2721 35.5464 -61.2721 -38.2079 -39.5628 35.5464 -39.5629 14.0223 GPRESSAVG: 490000 42.114 -60.4431 38.1307 -64.6836 -36.4796 -40.1201 33.7355 -39.8989 12.9283 TIMING: 490000 CPU: 1543.17, 0.0031884/step Wall: 1543.17, 0.0031884/step, 3.99435 hours remaining, 232.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 490000 4080.3444 20285.3949 14419.7374 257.6777 -203271.9841 2389.1146 0.0000 0.0000 52001.2777 -109838.4376 298.8521 -161839.7152 -109478.5335 298.6900 -182.9148 -151.1517 762121.6585 6.2599 6.1876 PRESSURE: 490200 200.523 -341.949 130.968 -341.95 -360.193 -91.009 130.97 -91.0086 -50.5277 GPRESSURE: 490200 215.058 -194.455 41.5659 -224.227 -264.768 -59.4406 83.197 112.609 -69.723 PRESSAVG: 490200 30.9721 -51.355 -17.893 -51.355 -33.5082 -42.312 -17.893 -42.312 1.9434 GPRESSAVG: 490200 31.1925 -51.6105 -17.9545 -49.233 -34.0859 -41.5936 -17.8606 -42.2544 2.01494 TIMING: 490200 CPU: 1543.81, 0.00317111/step Wall: 1543.81, 0.00317111/step, 3.97252 hours remaining, 232.707031 MB of memory in use. ENERGY: 490200 3954.1452 20491.9896 14447.5838 238.2167 -203231.1658 2350.4264 0.0000 0.0000 51862.8608 -109885.9434 298.0566 -161748.8042 -109531.9820 298.6369 -70.0660 -39.8111 760957.3974 -0.1976 -0.2928 PRESSURE: 490400 -244.695 13.9097 141.017 13.9094 82.3043 -39.2821 141.017 -39.2817 137.934 GPRESSURE: 490400 -138.138 75.485 139.688 45.4306 85.3193 -77.3301 194.664 -25.3936 110.91 PRESSAVG: 490400 -15.2664 -3.3163 -37.4937 -3.3163 2.53975 -52.8587 -37.4937 -52.8587 -17.6396 GPRESSAVG: 490400 -14.7087 -4.56573 -39.2951 -1.50351 2.39688 -53.7399 -38.4562 -51.4457 -17.9658 TIMING: 490400 CPU: 1544.45, 0.00319907/step Wall: 1544.45, 0.00319907/step, 4.00737 hours remaining, 232.707031 MB of memory in use. ENERGY: 490400 3984.2764 20462.6969 14431.6090 245.7127 -203141.5050 2228.4951 0.0000 0.0000 52006.6664 -109782.0485 298.8830 -161788.7149 -109419.4893 298.5674 -8.1521 19.3636 761906.9828 -10.1221 -10.0925 PRESSURE: 490600 -28.8283 -258.598 36.5346 -258.598 49.0886 -62.0024 36.534 -62.0019 -227.821 GPRESSURE: 490600 5.04773 -196.027 2.75598 -155.533 82.676 -33.3685 -41.0472 -132.693 -211.842 PRESSAVG: 490600 -20.4587 -49.0585 -4.49252 -49.0585 6.58987 3.75518 -4.49259 3.75513 19.9857 GPRESSAVG: 490600 -20.8465 -49.3256 -2.64444 -49.5689 7.68712 4.48026 -4.47757 1.57901 19.3487 TIMING: 490600 CPU: 1545.08, 0.0031789/step Wall: 1545.08, 0.0031789/step, 3.98192 hours remaining, 232.707031 MB of memory in use. ENERGY: 490600 4003.0610 20608.0901 14437.2764 235.7521 -203846.9633 2674.3071 0.0000 0.0000 51869.7177 -110018.7590 298.0960 -161888.4767 -109665.5421 298.3004 -69.1870 -41.3726 761325.0822 2.0390 2.0631 PRESSURE: 490800 -21.8995 -135.957 25.4484 -135.957 143.842 168.089 25.4471 168.089 97.8856 GPRESSURE: 490800 112.677 -70.8529 78.9681 -194.81 75.6474 199.636 -9.74173 80.6448 111.47 PRESSAVG: 490800 34.3118 -42.6848 4.09541 -42.6849 -32.4336 -15.6223 4.09546 -15.6222 -2.47886 GPRESSAVG: 490800 34.6537 -42.9775 2.78924 -43.3619 -34.4615 -15.6826 5.32866 -15.8824 -1.26939 TIMING: 490800 CPU: 1545.71, 0.00314485/step Wall: 1545.71, 0.00314485/step, 3.93909 hours remaining, 232.707031 MB of memory in use. ENERGY: 490800 3928.4498 20424.5951 14473.2141 231.9610 -203740.9269 2584.4835 0.0000 0.0000 52064.1518 -110034.0716 299.2134 -162098.2234 -109671.2752 298.3488 73.2759 99.9315 761235.3858 -0.2002 -0.3591 PRESSURE: 491000 -228.884 -70.8267 203.462 -70.8271 -72.5203 -39.6565 203.462 -39.656 -167.145 GPRESSURE: 491000 -178.3 64.2336 175.848 -91.9472 -58.2016 -28.8474 69.3128 -64.7714 -121.032 PRESSAVG: 491000 38.4518 -0.742046 -18.3982 -0.742002 -1.80554 2.90549 -18.3981 2.90548 -17.4881 GPRESSAVG: 491000 39.6253 1.20266 -18.7091 -0.812372 -1.37841 3.46277 -18.7363 1.15391 -18.7793 TIMING: 491000 CPU: 1546.34, 0.00313517/step Wall: 1546.34, 0.00313517/step, 3.92681 hours remaining, 232.707031 MB of memory in use. ENERGY: 491000 4006.1490 20558.9304 14461.0703 253.5722 -203568.1353 2442.6690 0.0000 0.0000 51908.2683 -109937.4761 298.3175 -161845.7443 -109573.3089 298.5955 -156.1830 -119.1775 760551.4812 6.3861 6.4892 PRESSURE: 491200 -415.841 38.6603 300.741 38.6598 -387.186 87.2643 300.741 87.2648 356.149 GPRESSURE: 491200 -299.033 44.5087 284.013 86.9316 -304.658 91.755 286.949 58.5587 249.334 PRESSAVG: 491200 48.0594 -46.2661 -6.92261 -46.2661 -13.4683 -31.6732 -6.92265 -31.6732 0.218411 GPRESSAVG: 491200 46.1761 -46.9878 -6.06965 -45.2228 -11.6586 -32.037 -7.52596 -28.9443 0.494257 TIMING: 491200 CPU: 1546.97, 0.00314313/step Wall: 1546.97, 0.00314313/step, 3.9366 hours remaining, 232.707031 MB of memory in use. ENERGY: 491200 4029.5893 20382.5156 14428.5666 274.9185 -203383.4434 2353.7307 0.0000 0.0000 51912.9915 -110001.1311 298.3447 -161914.1226 -109630.6646 298.5502 -148.9595 -118.1190 760475.6138 11.6032 11.6706 PRESSURE: 491400 20.8286 66.3906 7.24409 66.3901 -285.802 -48.0693 7.24502 -48.0706 -66.5869 GPRESSURE: 491400 22.9689 128.279 -15.3828 60.6303 -154.604 -105.179 8.72082 -46.8769 -113.395 PRESSAVG: 491400 45.4568 -42.0802 16.6764 -42.0802 -24.609 3.68963 16.6763 3.68963 8.18426 GPRESSAVG: 491400 45.6452 -43.3386 15.6562 -41.8888 -25.8258 2.73528 15.2383 3.66893 8.7549 TIMING: 491400 CPU: 1547.6, 0.00314915/step Wall: 1547.6, 0.00314915/step, 3.94396 hours remaining, 232.707031 MB of memory in use. ENERGY: 491400 3987.9523 20356.7061 14471.3245 262.0733 -203368.0169 2403.2916 0.0000 0.0000 51916.6088 -109970.0603 298.3655 -161886.6691 -109603.3479 298.6509 -110.5200 -81.6766 761523.2126 9.6774 9.5247 PRESSURE: 491600 -33.8366 -212.424 -99.4293 -212.424 127.607 -176.003 -99.4298 -176.004 218.86 GPRESSURE: 491600 -19.0524 -127.329 -157.349 -186.353 186.392 -168.709 -96.0339 -99.6419 232.755 PRESSAVG: 491600 15.9025 -12.8553 -66.3867 -12.8553 -3.8086 -2.11272 -66.3867 -2.11273 -7.91989 GPRESSAVG: 491600 16.9677 -10.9402 -66.2156 -12.0003 -4.63197 -1.82027 -65.3501 -2.29259 -7.99841 TIMING: 491600 CPU: 1548.22, 0.00313167/step Wall: 1548.22, 0.00313167/step, 3.9219 hours remaining, 232.707031 MB of memory in use. ENERGY: 491600 3940.6261 20427.5753 14448.1143 256.8726 -203289.1276 2454.2870 0.0000 0.0000 52029.3922 -109732.2602 299.0136 -161761.6524 -109371.0423 299.0140 104.2100 133.3647 761138.2905 1.3913 1.4458 PRESSURE: 491800 -78.5118 -171.34 38.769 -171.34 -62.4781 89.2226 38.7693 89.2224 -92.7309 GPRESSURE: 491800 13.291 -339.309 66.2991 -104.524 -74.218 169.06 0.293355 -90.5371 -80.2709 PRESSAVG: 491800 2.28497 -22.376 -11.4375 -22.3759 -20.6173 -5.85769 -11.4376 -5.85766 5.71588 GPRESSAVG: 491800 2.02637 -21.8561 -11.1686 -23.6806 -20.9464 -6.13207 -9.64372 -5.91458 5.95651 TIMING: 491800 CPU: 1548.85, 0.00311854/step Wall: 1548.85, 0.00311854/step, 3.90527 hours remaining, 232.707031 MB of memory in use. ENERGY: 491800 3939.2430 20373.6085 14408.7287 243.6380 -203499.6539 2674.5953 0.0000 0.0000 52019.9393 -109839.9010 298.9593 -161859.8403 -109466.5148 299.1499 -77.9069 -47.0660 761253.3067 -4.2055 -4.3212 PRESSURE: 492000 287.845 -76.782 17.5124 -76.7822 217.77 -83.2949 17.5124 -83.2958 118.535 GPRESSURE: 492000 372.136 -61.6009 -2.56628 -83.8731 232.987 -84.4713 112.889 -42.7315 107.407 PRESSAVG: 492000 32.3781 -24.0407 20.8215 -24.0408 -20.5728 -0.568272 20.8214 -0.568305 -12.7174 GPRESSAVG: 492000 32.5023 -22.9025 20.1681 -25.8571 -20.0885 -0.463494 18.975 0.0188788 -13.3566 TIMING: 492000 CPU: 1549.47, 0.00313502/step Wall: 1549.47, 0.00313502/step, 3.92574 hours remaining, 232.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 492000 3935.1425 20388.5796 14424.5714 245.1994 -203165.2540 2541.2329 0.0000 0.0000 52034.0491 -109596.4791 299.0404 -161630.5282 -109246.8430 299.0945 208.0501 237.5099 761030.3711 -0.3041 -0.3143 PRESSURE: 492200 172.198 -75.7062 -42.2224 -75.7061 10.2053 100.534 -42.2223 100.532 333.05 GPRESSURE: 492200 120.957 -37.9913 -4.42913 -79.8038 94.046 106.751 -88.0297 166.817 403.657 PRESSAVG: 492200 38.7631 -28.9057 -36.9235 -28.9056 -8.52324 -7.68681 -36.9236 -7.6867 6.68916 GPRESSAVG: 492200 38.1211 -31.0625 -37.4282 -26.5965 -7.98259 -7.77444 -34.2971 -7.0954 6.93889 TIMING: 492200 CPU: 1550.1, 0.00313889/step Wall: 1550.1, 0.00313889/step, 3.93041 hours remaining, 232.707031 MB of memory in use. ENERGY: 492200 3894.2079 20532.9314 14415.2813 237.5966 -203396.8989 2572.8485 0.0000 0.0000 52280.2169 -109463.8163 300.4551 -161744.0332 -109099.4313 299.3657 171.8180 206.2199 761440.8094 12.3097 12.3591 LDB: ============= START OF LOAD BALANCING ============== 1562.5 LDB: ============== END OF LOAD BALANCING =============== 1562.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1562.5 LDB: ============= START OF LOAD BALANCING ============== 1562.81 LDB: Largest compute 7049 load 0.031211 is 15.9% of average load 0.195726 LDB: Average compute 0.004398 is 2.2% of average load 0.195726 LDB: TIME 1562.82 LOAD: AVG 0.195726 MAX 0.215969 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.363 MB LDB: TIME 1562.82 LOAD: AVG 0.195726 MAX 0.215969 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 1562.82 LOAD: AVG 0.195726 MAX 0.215969 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 1562.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1562.82 PRESSURE: 492400 -83.991 -155.659 10.7795 -155.659 -243.667 -210.615 10.7783 -210.615 18.5637 GPRESSURE: 492400 -100.833 -112.113 38.8302 -99.8548 -154.968 -182.868 -49.8824 -49.5401 27.5832 PRESSAVG: 492400 -2.03712 -15.7837 -10.1892 -15.7837 -33.8276 -38.3851 -10.1892 -38.3851 3.9618 GPRESSAVG: 492400 -1.4543 -13.3437 -9.72513 -17.3197 -34.3879 -37.9017 -12.9474 -39.5659 4.18002 TIMING: 492400 CPU: 1550.74, 0.00320581/step Wall: 1550.74, 0.00320581/step, 4.01404 hours remaining, 233.671875 MB of memory in use. ENERGY: 492400 3962.6607 20386.7206 14388.4784 261.9438 -202863.1962 2366.8763 0.0000 0.0000 51999.9335 -109496.5829 298.8443 -161496.5163 -109129.0214 298.9776 -103.0314 -76.0726 763030.7296 -10.6343 -10.5541 PRESSURE: 492600 -61.5497 -5.87015 -212.288 -5.86999 -52.0634 -2.84505 -212.288 -2.8447 36.4278 GPRESSURE: 492600 -6.88298 11.3951 -202.982 -12.3338 -90.8433 35.558 -227.49 54.0025 113.687 PRESSAVG: 492600 -12.9653 -27.1443 15.0437 -27.1443 10.4369 7.46975 15.0437 7.46978 23.0526 GPRESSAVG: 492600 -13.7359 -28.1691 16.7392 -26.164 11.2408 6.30459 14.4874 8.16552 23.6785 TIMING: 492600 CPU: 1551.37, 0.00314525/step Wall: 1551.37, 0.00314525/step, 3.93803 hours remaining, 234.171875 MB of memory in use. ENERGY: 492600 4040.7489 20344.2767 14429.0807 241.1209 -202696.5990 2143.3141 0.0000 0.0000 51809.9629 -109688.0949 297.7526 -161498.0577 -109341.1099 298.9753 -25.7285 5.3203 760954.8711 6.8414 7.0611 PRESSURE: 492800 94.3127 62.9777 123.948 62.9779 -49.3391 -61.3231 123.949 -61.3225 66.0601 GPRESSURE: 492800 70.7607 103.492 82.8499 84.1011 34.7252 -120.492 177.986 -61.8947 89.1032 PRESSAVG: 492800 -44.5895 -29.0457 35.4222 -29.0457 108.512 26.4634 35.4222 26.4634 -4.38571 GPRESSAVG: 492800 -43.3509 -26.2875 34.501 -32.0735 106.934 27.7553 37.0199 26.7989 -4.18842 TIMING: 492800 CPU: 1551.99, 0.00311052/step Wall: 1551.99, 0.00311052/step, 3.89437 hours remaining, 234.171875 MB of memory in use. ENERGY: 492800 3992.9762 20440.4953 14416.9801 246.6509 -203264.9406 2659.5244 0.0000 0.0000 51764.6345 -109743.6794 297.4921 -161508.3139 -109391.0929 298.7799 37.0112 64.8631 761423.5160 19.8457 19.7981 PRESSURE: 493000 111.061 -64.4522 -112.403 -64.4519 137.765 -159.232 -112.403 -159.233 40.8366 GPRESSURE: 493000 177.772 -100.608 -130.895 83.551 154.026 -139.998 83.6029 -157.969 42.2897 PRESSAVG: 493000 5.35149 1.00109 0.506413 1.00106 5.69712 -12.6887 0.506405 -12.6887 20.9855 GPRESSAVG: 493000 5.05203 -0.219893 1.42677 3.41445 5.88042 -12.0919 0.864179 -14.505 20.646 TIMING: 493000 CPU: 1552.62, 0.00314196/step Wall: 1552.62, 0.00314196/step, 3.93356 hours remaining, 234.171875 MB of memory in use. ENERGY: 493000 3952.9747 20322.7400 14501.2178 242.4637 -203827.1797 2889.3222 0.0000 0.0000 52239.9804 -109678.4809 300.2239 -161918.4613 -109328.1305 298.8346 96.5541 124.6961 760812.5549 10.6780 10.5262 PRESSURE: 493200 -155.999 -248.867 -88.5355 -248.867 335.963 3.54378 -88.5352 3.54519 -10.7728 GPRESSURE: 493200 -56.8505 -268.665 -166.495 -231.281 294.078 171.052 -96.8877 -83.8468 29.3547 PRESSAVG: 493200 -11.0119 -24.1014 45.2216 -24.1014 14.5929 -14.9833 45.2216 -14.9834 6.48035 GPRESSAVG: 493200 -11.1758 -26.6873 44.1016 -24.2451 14.6459 -15.7411 45.3592 -14.7246 6.99689 TIMING: 493200 CPU: 1553.25, 0.00315622/step Wall: 1553.25, 0.00315622/step, 3.95124 hours remaining, 234.171875 MB of memory in use. ENERGY: 493200 3963.4128 20614.5142 14430.8304 237.5068 -203503.1118 2807.3755 0.0000 0.0000 51975.8193 -109473.6528 298.7057 -161449.4722 -109116.9269 299.2100 56.3971 88.8607 760544.6810 3.3538 3.4890 PRESSURE: 493400 -19.1591 -135.166 63.4551 -135.167 -152.752 -46.3422 63.4554 -46.3426 -304.39 GPRESSURE: 493400 28.7012 -243.21 8.61653 -169.49 -151.693 -125.818 102.797 -65.8107 -283.602 PRESSAVG: 493400 -23.1724 -45.3218 -25.2225 -45.3218 1.71602 -22.6327 -25.2224 -22.6327 -13.4906 GPRESSAVG: 493400 -24.2285 -43.6564 -25.0192 -47.9659 2.13754 -23.3062 -26.9504 -21.303 -13.5089 TIMING: 493400 CPU: 1553.89, 0.00318723/step Wall: 1553.89, 0.00318723/step, 3.98989 hours remaining, 234.171875 MB of memory in use. ENERGY: 493400 4057.9260 20511.9456 14419.3126 243.0928 -203126.4648 2200.5943 0.0000 0.0000 52301.6030 -109391.9904 300.5780 -161693.5934 -109026.7905 299.7475 -158.7670 -135.5312 760685.6572 -11.6490 -11.8666 PRESSURE: 493600 -22.3772 -70.1858 195.502 -70.1856 -212.062 77.6381 195.502 77.6379 120.805 GPRESSURE: 493600 -50.456 20.1107 216.244 -50.9797 -94.8503 -7.70701 155.556 132.531 103.047 PRESSAVG: 493600 66.9689 -37.5138 -20.4982 -37.5138 -67.8715 23.6695 -20.4982 23.6694 8.57336 GPRESSAVG: 493600 67.2375 -36.8721 -19.8183 -37.37 -67.6425 23.8491 -19.8975 22.8463 8.15023 TIMING: 493600 CPU: 1554.52, 0.00314269/step Wall: 1554.52, 0.00314268/step, 3.93394 hours remaining, 234.207031 MB of memory in use. ENERGY: 493600 3943.2525 20454.1350 14413.7000 251.4400 -203251.9778 2440.3672 0.0000 0.0000 52340.5171 -109408.5660 300.8017 -161749.0831 -109045.7358 299.5234 -37.8779 -14.0865 763361.8210 2.5569 2.5817 PRESSURE: 493800 -314.431 -223.039 -368.706 -223.039 -51.2688 -67.4599 -368.706 -67.4596 -317.932 GPRESSURE: 493800 -240.07 -239.668 -406.166 -141.582 -24.3468 -61.6558 -291.552 -49.5503 -338.119 PRESSAVG: 493800 15.1473 -56.8515 -30.7434 -56.8515 -31.0839 -14.0129 -30.7434 -14.0129 -4.77732 GPRESSAVG: 493800 16.9538 -56.0509 -29.736 -55.7705 -31.2547 -12.6952 -31.7244 -14.0453 -5.86329 TIMING: 493800 CPU: 1555.15, 0.00316438/step Wall: 1555.15, 0.00316438/step, 3.96093 hours remaining, 234.207031 MB of memory in use. ENERGY: 493800 3937.9832 20458.2192 14405.2652 254.1635 -203043.3444 2342.4323 0.0000 0.0000 52198.3165 -109446.9644 299.9844 -161645.2809 -109073.6452 299.8068 -227.8770 -200.8451 761914.5043 -6.9046 -6.7214 PRESSURE: 494000 95.382 2.35047 -113.818 2.35081 -369.874 43.6244 -113.818 43.6235 -352.731 GPRESSURE: 494000 53.64 -47.9569 -144.235 -78.8833 -334.8 61.2225 -127.518 160.398 -250.119 PRESSAVG: 494000 -21.1424 -0.0125961 -1.90774 -0.0125377 -6.9173 61.5377 -1.9077 61.5377 -13.6309 GPRESSAVG: 494000 -22.2965 -0.785984 -2.72383 -0.675752 -7.07892 60.1892 -0.355851 61.0154 -12.2327 TIMING: 494000 CPU: 1555.78, 0.00316469/step Wall: 1555.78, 0.00316469/step, 3.96113 hours remaining, 234.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 494000 4032.6060 20501.1304 14462.2722 237.9030 -203072.7563 2232.4139 0.0000 0.0000 52188.3891 -109418.0416 299.9274 -161606.4307 -109051.0628 299.4544 -209.0745 -177.0929 762212.8863 -13.8969 -13.8694 PRESSURE: 494200 143.711 -143.615 -37.1971 -143.616 -34.1349 -146.546 -37.1969 -146.547 -89.8558 GPRESSURE: 494200 145.21 -143.606 -9.948 -202.432 -21.2839 -145.637 -92.688 -90.2627 -19.1895 PRESSAVG: 494200 31.9213 -36.3649 -47.6114 -36.3649 -15.2721 2.88919 -47.6114 2.88917 9.62105 GPRESSAVG: 494200 31.401 -37.9398 -47.2381 -34.8442 -14.6396 2.15632 -49.7714 2.98546 9.26736 TIMING: 494200 CPU: 1556.41, 0.00313576/step Wall: 1556.41, 0.00313576/step, 3.92476 hours remaining, 234.207031 MB of memory in use. ENERGY: 494200 4023.8223 20471.2160 14381.7380 242.5179 -203556.3275 2576.2331 0.0000 0.0000 52270.5805 -109590.2197 300.3997 -161860.8002 -109217.7667 300.0304 6.5734 34.9120 762828.8143 8.7568 8.6762 PRESSURE: 494400 -300.786 -235.894 429.49 -235.894 119.954 -228.656 429.49 -228.656 -101.402 GPRESSURE: 494400 -213.714 -246.247 337.03 -217.712 1.00591 -180.646 310.1 -256.677 8.49118 PRESSAVG: 494400 3.84978 -55.8471 36.5843 -55.8471 -28.3696 -37.1725 36.5842 -37.1726 1.6239 GPRESSAVG: 494400 3.41354 -54.1116 37.3143 -56.0655 -29.3814 -36.8114 36.5258 -36.9718 3.02224 TIMING: 494400 CPU: 1557.04, 0.00315044/step Wall: 1557.04, 0.00315044/step, 3.94295 hours remaining, 234.207031 MB of memory in use. ENERGY: 494400 4017.3752 20472.0044 14376.8702 229.0102 -203542.0775 2719.0891 0.0000 0.0000 52100.7458 -109626.9825 299.4237 -161727.7283 -109266.4239 299.4687 -94.0783 -68.0724 761872.4894 -7.6320 -7.6485 PRESSURE: 494600 -109.179 216.255 23.4872 216.255 -88.1987 -9.49673 23.4873 -9.49668 -67.2311 GPRESSURE: 494600 -88.7955 193.95 -19.2347 152.614 -95.0181 -63.3509 85.6511 -82.4748 -11.8189 PRESSAVG: 494600 78.3132 18.1064 -6.41997 18.1063 -39.6953 -23.8632 -6.42002 -23.8632 20.8412 GPRESSAVG: 494600 79.3171 18.2744 -7.16925 17.675 -39.5092 -22.3499 -3.00815 -24.4451 19.2252 TIMING: 494600 CPU: 1557.67, 0.00315222/step Wall: 1557.67, 0.00315222/step, 3.945 hours remaining, 234.207031 MB of memory in use. ENERGY: 494600 4014.3018 20490.4920 14386.7419 244.2016 -203131.5828 2465.2646 0.0000 0.0000 51972.3268 -109558.2543 298.6857 -161530.5811 -109195.5732 299.2394 -88.2029 -65.2108 761639.4607 19.8197 19.6777 PRESSURE: 494800 250.152 101.913 -37.1611 101.913 -184.522 -236.215 -37.161 -236.214 12.4877 GPRESSURE: 494800 237.163 -1.01925 -105.108 -36.111 -111.282 -277.805 -134.394 -285.762 34.411 PRESSAVG: 494800 58.4382 -19.0367 -29.3953 -19.0368 -53.0952 -75.7483 -29.3953 -75.7482 0.963652 GPRESSAVG: 494800 57.0913 -21.4733 -31.5979 -18.1653 -52 -78.9965 -29.7232 -73.436 1.17269 TIMING: 494800 CPU: 1558.3, 0.0031326/step Wall: 1558.3, 0.0031326/step, 3.92028 hours remaining, 234.207031 MB of memory in use. ENERGY: 494800 3988.3456 20487.3117 14483.1893 241.1448 -202906.7404 2353.6484 0.0000 0.0000 51815.3388 -109537.7619 297.7835 -161353.1007 -109182.4470 299.2285 26.0392 53.4306 761139.6872 2.1022 2.0880 PRESSURE: 495000 -115.359 154.691 139.507 154.692 -82.0073 151.684 139.507 151.684 209.52 GPRESSURE: 495000 -123.173 158.685 195.789 178.162 -33.3048 205.323 29.3144 190.274 262.212 PRESSAVG: 495000 32.3956 -0.983752 5.81061 -0.983748 -47.8705 -15.7571 5.81065 -15.7571 -2.36313 GPRESSAVG: 495000 33.1133 -0.320401 6.53991 -1.14382 -50.0756 -14.8905 3.56641 -16.0866 -1.20727 TIMING: 495000 CPU: 1558.93, 0.00314501/step Wall: 1558.93, 0.00314501/step, 3.93563 hours remaining, 234.207031 MB of memory in use. ENERGY: 495000 3932.4388 20406.5892 14382.6486 266.9813 -203486.2984 2587.8583 0.0000 0.0000 52168.1913 -109741.5910 299.8113 -161909.7823 -109383.4597 298.9056 4.0513 35.2448 762657.8885 -5.9460 -6.0565 PRESSURE: 495200 47.2303 -15.5236 40.2316 -15.5245 -67.1287 -90.8186 40.2312 -90.819 52.4859 GPRESSURE: 495200 131.237 73.9641 49.2075 -66.807 -37.1616 -111.344 -68.3407 -21.1204 17.8702 PRESSAVG: 495200 51.7794 -52.9132 1.26598 -52.9132 -11.7533 -77.878 1.26597 -77.878 11.0595 GPRESSAVG: 495200 50.4871 -52.04 2.90032 -52.8122 -9.69292 -76.9801 0.196605 -78.9644 10.3171 TIMING: 495200 CPU: 1559.56, 0.00315899/step Wall: 1559.56, 0.00315899/step, 3.95295 hours remaining, 234.207031 MB of memory in use. ENERGY: 495200 3919.1545 20595.1561 14293.5705 267.1725 -203268.4451 2324.6921 0.0000 0.0000 52153.6903 -109715.0090 299.7280 -161868.6993 -109352.6523 298.8315 10.8625 37.3151 759985.6129 17.0286 17.0371 PRESSURE: 495400 -154.519 42.8434 -119.157 42.8428 -179.071 -67.1313 -119.157 -67.1318 181.761 GPRESSURE: 495400 -21.1092 -53.0615 -101.775 -39.9547 -162.865 -35.2669 -70.2869 -138.769 135.208 PRESSAVG: 495400 -24.1512 -27.4262 20.3544 -27.4262 25.7455 -59.1702 20.3544 -59.1702 9.88579 GPRESSAVG: 495400 -21.4356 -28.2282 20.535 -26.5035 23.9109 -59.9071 20.6506 -59.5287 8.87943 TIMING: 495400 CPU: 1560.19, 0.00317523/step Wall: 1560.19, 0.00317524/step, 3.9731 hours remaining, 234.207031 MB of memory in use. ENERGY: 495400 4074.9466 20437.4843 14401.2778 230.5091 -203265.6247 2420.4814 0.0000 0.0000 52139.6453 -109561.2803 299.6473 -161700.9255 -109202.5324 298.7890 -50.6097 -16.2554 761652.2239 3.8267 3.7849 PRESSURE: 495600 88.9952 -142.118 -5.30295 -142.118 -441.374 -156.913 -5.30286 -156.914 -2.12798 GPRESSURE: 495600 78.5072 -140.771 -0.668252 -74.284 -281.928 -96.5824 -113.995 -25.0428 -31.8331 PRESSAVG: 495600 -8.88212 -25.0725 38.3722 -25.0726 -22.7243 -48.4623 38.3722 -48.4623 -24.4973 GPRESSAVG: 495600 -10.6598 -25.1544 37.3533 -26.4549 -21.5424 -47.7778 40.6115 -48.7398 -23.879 TIMING: 495600 CPU: 1560.82, 0.0031499/step Wall: 1560.82, 0.0031499/step, 3.94123 hours remaining, 234.207031 MB of memory in use. ENERGY: 495600 3991.8517 20528.2932 14397.1220 262.2194 -203210.6816 2285.9312 0.0000 0.0000 51966.0647 -109779.1994 298.6497 -161745.2641 -109411.7852 299.2605 -118.1688 -78.4179 760410.0769 -18.7012 -18.6937 PRESSURE: 495800 43.8461 66.76 179.283 66.7605 -254.74 54.7862 179.282 54.7854 247.557 GPRESSURE: 495800 88.9806 -8.91679 203.416 84.9651 -222.887 171.124 176.447 -10.192 259.008 PRESSAVG: 495800 56.0773 2.75287 -18.3472 2.75289 -22.2256 -20.7293 -18.3472 -20.7293 13.1034 GPRESSAVG: 495800 56.8369 4.95226 -17.59 4.12806 -23.2823 -20.2842 -19.1735 -20.7817 13.5041 TIMING: 495800 CPU: 1561.45, 0.00313474/step Wall: 1561.45, 0.00313474/step, 3.92208 hours remaining, 234.207031 MB of memory in use. ENERGY: 495800 4017.3803 20610.0087 14405.9663 255.5665 -203822.3877 2635.6493 0.0000 0.0000 52078.3487 -109819.4679 299.2950 -161897.8166 -109463.2509 299.1130 12.2211 41.7004 760793.9443 15.6517 15.6862 PRESSURE: 496000 -183.21 -262.986 -129.443 -262.986 56.7167 -107.794 -129.443 -107.795 -69.9585 GPRESSURE: 496000 -81.6144 -47.7389 -37.6526 -215.553 25.6896 -54.9578 -177.969 -51.2947 -59.4522 PRESSAVG: 496000 45.9973 -15.6906 34.2077 -15.6906 -31.6391 -34.0298 34.2078 -34.0299 3.80352 GPRESSAVG: 496000 45.9412 -16.2283 32.673 -15.9204 -32.5766 -33.4392 33.7329 -32.093 4.32884 TIMING: 496000 CPU: 1562.08, 0.00313492/step Wall: 1562.08, 0.00313492/step, 3.92213 hours remaining, 234.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 496000 3968.1321 20552.4138 14381.8933 249.4689 -203174.9890 2053.1129 0.0000 0.0000 52209.7677 -109760.2003 300.0503 -161969.9680 -109387.3632 299.5208 -65.4839 -38.4590 761273.9363 6.0539 5.8978 PRESSURE: 496200 -15.2737 37.2534 249.04 37.2534 -416.207 109.622 249.039 109.623 -198.052 GPRESSURE: 496200 -112.635 69.7003 232.786 64.347 -265.032 141.571 159.184 178.444 -164.926 PRESSAVG: 496200 12.4781 5.55835 16.2162 5.55843 -71.7854 -27.657 16.2163 -27.657 -29.4014 GPRESSAVG: 496200 11.3242 7.43698 16.5661 5.48272 -68.7271 -28.5052 17.0935 -29.4745 -31.7365 TIMING: 496200 CPU: 1562.71, 0.00316906/step Wall: 1562.71, 0.00316906/step, 3.96467 hours remaining, 234.207031 MB of memory in use. ENERGY: 496200 3987.9166 20527.2176 14506.0185 232.3543 -203458.7488 2417.6294 0.0000 0.0000 51991.0429 -109796.5695 298.7932 -161787.6124 -109435.9531 299.5581 -209.8441 -180.8642 761315.9381 -29.5696 -29.7131 LDB: ============= START OF LOAD BALANCING ============== 1575.11 LDB: ============== END OF LOAD BALANCING =============== 1575.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1575.12 LDB: ============= START OF LOAD BALANCING ============== 1575.43 LDB: Largest compute 7049 load 0.031235 is 16.0% of average load 0.195723 LDB: Average compute 0.004390 is 2.2% of average load 0.195723 LDB: TIME 1575.44 LOAD: AVG 0.195723 MAX 0.212523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 1575.44 LOAD: AVG 0.195723 MAX 0.212523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.199 MB LDB: TIME 1575.44 LOAD: AVG 0.195723 MAX 0.212523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.199 MB LDB: ============== END OF LOAD BALANCING =============== 1575.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1575.44 PRESSURE: 496400 288.498 -165.291 -57.6427 -165.291 -31.7472 114.915 -57.642 114.914 692.267 GPRESSURE: 496400 262.19 -83.8463 4.68846 -128.344 118.781 59.7631 -102.192 87.6885 639.048 PRESSAVG: 496400 -13.7775 -22.6416 -1.05812 -22.6416 -21.9388 -40.363 -1.05805 -40.363 7.18887 GPRESSAVG: 496400 -13.2006 -23.431 -0.265 -23.0695 -23.2439 -42.5516 -2.41518 -38.8515 8.32298 TIMING: 496400 CPU: 1563.36, 0.00324134/step Wall: 1563.36, 0.00324134/step, 4.05491 hours remaining, 232.578125 MB of memory in use. ENERGY: 496400 3998.3532 20535.2658 14444.6173 258.1685 -203568.9610 2544.1371 0.0000 0.0000 52087.8987 -109700.5204 299.3499 -161788.4191 -109332.3894 298.6202 316.3392 340.0062 760697.6468 -9.5091 -9.3738 PRESSURE: 496600 69.2978 -70.3501 -95.3564 -70.351 96.048 -227.675 -95.3567 -227.675 21.6003 GPRESSURE: 496600 -1.62018 -46.4197 -40.3813 -28.0579 188.451 -196.796 -3.9651 -139.646 80.5681 PRESSAVG: 496600 7.74466 -33.526 -19.6142 -33.526 11.8715 -28.1693 -19.6142 -28.1693 -4.83207 GPRESSAVG: 496600 7.76337 -33.6544 -20.9351 -33.9155 12.1158 -25.9968 -19.8633 -29.3169 -5.11759 TIMING: 496600 CPU: 1563.99, 0.00314803/step Wall: 1563.99, 0.00314802/step, 3.938 hours remaining, 232.875000 MB of memory in use. ENERGY: 496600 4044.1129 20609.0728 14507.1340 258.8360 -203723.1159 2549.3515 0.0000 0.0000 52112.3360 -109642.2728 299.4903 -161754.6088 -109281.5928 299.7299 62.3154 89.1328 760231.2092 4.9280 4.9205 PRESSURE: 496800 -421.303 -12.4019 -151.577 -12.4017 -199.37 130.788 -151.577 130.788 169.767 GPRESSURE: 496800 -356.793 42.188 -187.931 -40.7387 -166.427 73.0966 -120.573 73.4302 165.542 PRESSAVG: 496800 9.71905 -56.6012 -25.2715 -56.6011 25.2609 -51.923 -25.2716 -51.923 13.019 GPRESSAVG: 496800 9.80609 -56.2401 -24.4802 -56.6446 25.9462 -52.8831 -23.982 -50.9394 12.3487 TIMING: 496800 CPU: 1564.62, 0.0031632/step Wall: 1564.62, 0.0031632/step, 3.95682 hours remaining, 232.910156 MB of memory in use. ENERGY: 496800 3906.1580 20314.7693 14422.7332 253.2386 -203777.0228 2557.3330 0.0000 0.0000 52468.1229 -109854.6677 301.5350 -162322.7906 -109476.4057 299.5620 -150.3021 -119.2263 762196.8069 15.9996 16.0337 PRESSURE: 497000 78.4481 -211.476 49.5207 -211.476 -243.279 -20.3528 49.5208 -20.3524 -26.6928 GPRESSURE: 497000 160.345 -171.743 62.7285 -177.898 -153.941 -19.9149 0.866432 66.3658 -107.74 PRESSAVG: 497000 47.3411 -43.9251 -14.823 -43.9251 -16.9065 -58.5561 -14.823 -58.5562 -10.8788 GPRESSAVG: 497000 47.5726 -43.4926 -14.1513 -44.9265 -18.1315 -57.7622 -16.6048 -58.9709 -9.06072 TIMING: 497000 CPU: 1565.25, 0.00315636/step Wall: 1565.25, 0.00315636/step, 3.94808 hours remaining, 232.910156 MB of memory in use. ENERGY: 497000 4074.0340 20580.2652 14457.4897 237.6926 -203954.5095 2681.3242 0.0000 0.0000 52069.7191 -109853.9847 299.2454 -161923.7038 -109479.8822 299.2941 -63.8411 -33.7786 759801.0677 6.5186 6.7935 PRESSURE: 497200 -280.386 -76.2094 20.971 -76.21 -289.9 -106.192 20.971 -106.192 30.3054 GPRESSURE: 497200 -219.095 18.4551 -15.0386 -37.0271 -180.913 -108.345 -55.0482 -145.946 -52.2111 PRESSAVG: 497200 35.5705 -88.0526 -16.527 -88.0526 -21.7195 -67.5076 -16.527 -67.5077 -29.1458 GPRESSAVG: 497200 34.7647 -87.1982 -18.3647 -86.8578 -20.4618 -67.6573 -17.2672 -68.1041 -29.515 TIMING: 497200 CPU: 1565.88, 0.00313758/step Wall: 1565.88, 0.00313758/step, 3.92442 hours remaining, 232.910156 MB of memory in use. ENERGY: 497200 3956.4516 20498.7090 14508.5652 236.4911 -203734.5497 2364.2764 0.0000 0.0000 52232.2498 -109937.8066 300.1795 -162170.0564 -109571.2120 299.0537 -179.9937 -150.7399 761105.4044 -5.0983 -5.0707 PRESSURE: 497400 -287.982 93.0361 -77.3684 93.0356 9.98884 122.385 -77.3688 122.385 -360.089 GPRESSURE: 497400 -204.354 81.5089 -82.8118 -23.6452 30.9308 110.155 46.2409 73.5718 -395.152 PRESSAVG: 497400 50.9243 -15.9389 -10.3055 -15.9389 -12.2504 -23.3873 -10.3056 -23.3874 -2.16245 GPRESSAVG: 497400 51.6328 -17.7831 -9.89717 -15.6983 -13.509 -23.3022 -9.62601 -23.3255 -2.03473 TIMING: 497400 CPU: 1566.51, 0.00312919/step Wall: 1566.51, 0.00312919/step, 3.91374 hours remaining, 232.910156 MB of memory in use. ENERGY: 497400 4063.0031 20485.3896 14425.7297 246.2579 -203440.8663 2341.5911 0.0000 0.0000 51910.4349 -109968.4600 298.3300 -161878.8949 -109605.1207 299.2528 -212.6943 -189.5251 761515.9560 12.1705 12.0297 PRESSURE: 497600 20.7991 -6.72091 90.7623 -6.7225 662.971 -338.66 90.7629 -338.661 -54.9338 GPRESSURE: 497600 96.9958 19.3485 65.0424 -40.2336 614.726 -234.204 -14.1031 -246.062 -6.13176 PRESSAVG: 497600 18.5528 14.373 21.4403 14.373 54.317 -67.4586 21.4403 -67.4586 20.4843 GPRESSAVG: 497600 18.7301 14.5279 23.6712 14.3871 54.8453 -68.4342 22.6921 -67.0527 19.7058 TIMING: 497600 CPU: 1567.14, 0.00314632/step Wall: 1567.14, 0.00314632/step, 3.93499 hours remaining, 232.910156 MB of memory in use. ENERGY: 497600 3977.4243 20375.3295 14478.1104 274.7512 -203407.5434 2543.5647 0.0000 0.0000 51916.8597 -109841.5036 298.3669 -161758.3634 -109487.7642 298.9488 209.6120 235.1967 759508.9507 31.1180 31.0937 PRESSURE: 497800 -58.0808 58.7053 -8.33212 58.7047 -357.197 -30.8361 -8.33306 -30.8385 119.729 GPRESSURE: 497800 -10.8954 130.159 137.347 156.256 -288.593 41.9622 -157.083 -43.7945 92.1128 PRESSAVG: 497800 -42.4246 -42.8151 9.77891 -42.8151 53.6802 2.40138 9.77888 2.40136 7.49513 GPRESSAVG: 497800 -43.2179 -42.1025 9.52647 -42.2943 54.0331 2.56175 9.47038 1.96238 8.08217 TIMING: 497800 CPU: 1567.76, 0.00312071/step Wall: 1567.76, 0.00312071/step, 3.90279 hours remaining, 232.910156 MB of memory in use. ENERGY: 497800 3944.5313 20513.1408 14389.3447 257.7607 -203768.6792 2596.7813 0.0000 0.0000 52022.8152 -110044.3052 298.9758 -162067.1204 -109684.7156 298.5949 -98.5162 -69.1252 758576.8146 6.2502 6.2991 PRESSURE: 498000 -426.611 -23.4297 -118.926 -23.4292 15.927 -28.9398 -118.925 -28.9408 -267.387 GPRESSURE: 498000 -357.349 -45.1099 -121.484 49.749 33.9468 7.72003 107.498 28.765 -249.93 PRESSAVG: 498000 -5.92421 -7.41339 0.154827 -7.41337 61.4236 20.2661 0.154877 20.2661 10.0717 GPRESSAVG: 498000 -6.35721 -6.85843 -1.15407 -9.01319 61.5923 20.5362 -0.0729404 20.7511 10.2045 TIMING: 498000 CPU: 1568.39, 0.00315676/step Wall: 1568.39, 0.00315676/step, 3.9477 hours remaining, 232.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 498000 3987.1058 20461.1421 14455.1997 245.0155 -203771.0064 2626.9006 0.0000 0.0000 52157.8033 -109837.8394 299.7516 -161995.6427 -109468.6884 298.9522 -226.0235 -191.1107 761274.9515 21.8570 21.8132 PRESSURE: 498200 72.6535 -181.238 -49.0666 -181.238 -166.2 -100.298 -49.0675 -100.298 123.597 GPRESSURE: 498200 76.1178 -111.567 -5.09605 -136.164 -94.3823 -63.3184 23.8125 -102.169 137.497 PRESSAVG: 498200 32.7992 -23.8898 -5.16699 -23.8897 5.78223 -7.64799 -5.16695 -7.648 13.7409 GPRESSAVG: 498200 33.4766 -22.1923 -2.99528 -21.3742 5.33232 -5.2599 -4.2606 -9.14418 13.641 TIMING: 498200 CPU: 1569.02, 0.00314402/step Wall: 1569.02, 0.00314402/step, 3.9316 hours remaining, 232.910156 MB of memory in use. ENERGY: 498200 4021.9540 20498.8512 14466.3719 245.3982 -203674.3978 2635.4938 0.0000 0.0000 51981.0035 -109825.3254 298.7355 -161806.3289 -109464.4336 299.2895 10.0169 39.7443 760563.4244 17.4408 17.4833 PRESSURE: 498400 315.673 0.926578 167.57 0.927264 563.121 96.33 167.57 96.3306 277.796 GPRESSURE: 498400 333.102 -20.0373 101.044 -68.7793 629.32 55.6362 143.814 29.0533 285.345 PRESSAVG: 498400 41.4762 -28.7232 23.2664 -28.7233 -53.379 23.1966 23.2665 23.1966 11.2887 GPRESSAVG: 498400 41.6675 -30.4892 21.7729 -31.205 -53.7909 21.6147 24.0403 24.1696 10.8418 TIMING: 498400 CPU: 1569.65, 0.00312875/step Wall: 1569.65, 0.00312875/step, 3.91232 hours remaining, 232.910156 MB of memory in use. ENERGY: 498400 3962.5624 20425.8716 14425.1595 247.0493 -203676.6563 2712.8656 0.0000 0.0000 51940.1785 -109962.9695 298.5009 -161903.1480 -109599.9635 298.9419 385.5299 415.9223 759733.6786 -0.2047 -0.4272 PRESSURE: 498600 306.618 -118.05 134.185 -118.051 120.124 90.9446 134.185 90.9438 458.375 GPRESSURE: 498600 327.728 -106.826 229.186 -19.1677 196.508 103.381 19.6076 139.322 450.479 PRESSAVG: 498600 21.5951 21.0282 55.031 21.0281 5.89755 30.7745 55.031 30.7745 -4.68179 GPRESSAVG: 498600 20.0088 20.8243 56.4124 21.8521 6.7589 31.846 52.5299 28.5019 -3.25331 TIMING: 498600 CPU: 1570.27, 0.0031231/step Wall: 1570.27, 0.0031231/step, 3.9051 hours remaining, 232.910156 MB of memory in use. ENERGY: 498600 3895.3053 20480.8358 14470.4214 230.2104 -203477.2429 2696.9469 0.0000 0.0000 52027.5131 -109676.0100 299.0028 -161703.5231 -109305.6748 299.3426 295.0388 324.9052 761916.9242 7.6036 7.8381 PRESSURE: 498800 -56.7762 -105.763 108.389 -105.762 -44.5316 31.5393 108.389 31.5404 321.063 GPRESSURE: 498800 -16.9787 -152.295 67.71 -63.8642 23.6834 54.5821 77.3659 -37.2817 298.397 PRESSAVG: 498800 40.971 10.1386 36.5541 10.1385 -33.5499 -16.8294 36.5541 -16.8294 9.49196 GPRESSAVG: 498800 42.3216 9.64779 35.4495 10.2601 -33.0308 -17.2899 36.3033 -15.0369 8.03498 TIMING: 498800 CPU: 1570.9, 0.00316514/step Wall: 1570.9, 0.00316514/step, 3.95748 hours remaining, 232.910156 MB of memory in use. ENERGY: 498800 3917.1006 20585.9772 14461.4465 223.2533 -203035.4704 2412.5246 0.0000 0.0000 52062.3801 -109372.7881 299.2032 -161435.1683 -109010.3525 299.7802 73.2516 101.7006 760466.2833 5.6377 5.7752 PRESSURE: 499000 -144.862 -146.277 58.5041 -146.278 117.152 -67.2848 58.5031 -67.2853 -87.5554 GPRESSURE: 499000 -80.1123 -104.843 68.9073 -241.947 93.2565 7.62918 25.0607 -112.764 -26.7251 PRESSAVG: 499000 15.0005 47.1352 108.329 47.1353 -23.7777 -23.7255 108.329 -23.7254 22.5404 GPRESSAVG: 499000 16.1478 46.6238 107.504 46.3756 -24.76 -22.3194 108.38 -23.0481 23.0061 TIMING: 499000 CPU: 1571.54, 0.00315988/step Wall: 1571.54, 0.00315988/step, 3.95073 hours remaining, 232.910156 MB of memory in use. ENERGY: 499000 3963.5730 20474.6527 14414.0486 251.0702 -203227.7093 2317.3513 0.0000 0.0000 52246.6265 -109560.3870 300.2621 -161807.0135 -109189.0972 299.7689 -38.4218 -4.5270 760151.3024 4.5877 4.7980 PRESSURE: 499200 17.1092 -106.423 173.269 -106.423 441.925 -61.3978 173.27 -61.398 -295.94 GPRESSURE: 499200 89.1434 -7.65803 184.669 -83.3369 405.213 -48.2976 192.904 16.671 -236.618 PRESSAVG: 499200 -16.8504 5.50887 48.8875 5.5089 36.996 4.56357 48.8875 4.56366 -18.3069 GPRESSAVG: 499200 -17.9517 6.89275 50.8504 5.31354 37.1514 4.20286 47.2752 3.81609 -17.8598 TIMING: 499200 CPU: 1572.17, 0.00315018/step Wall: 1572.17, 0.00315018/step, 3.93843 hours remaining, 232.910156 MB of memory in use. ENERGY: 499200 3905.6942 20535.0705 14494.2600 240.8094 -203337.9889 2647.3743 0.0000 0.0000 52087.8231 -109426.9574 299.3494 -161514.7804 -109061.4280 299.0861 54.3648 85.9131 760885.1886 0.6129 0.4466 PRESSURE: 499400 -42.1799 -122.531 188.753 -122.531 -305.346 -3.1144 188.753 -3.1139 -226.783 GPRESSURE: 499400 -85.3567 -111.26 195.502 -4.77973 -196.731 -8.23478 95.0971 -0.653083 -194.046 PRESSAVG: 499400 5.86504 -19.8064 7.16887 -19.8065 26.4452 7.30681 7.16884 7.3068 16.0278 GPRESSAVG: 499400 5.81679 -20.9557 6.48878 -17.5055 26.1664 6.95362 8.56474 8.13931 15.9926 TIMING: 499400 CPU: 1572.79, 0.00312184/step Wall: 1572.79, 0.00312184/step, 3.90282 hours remaining, 232.910156 MB of memory in use. ENERGY: 499400 4082.6055 20530.1458 14522.6667 231.8199 -203637.2072 2622.2474 0.0000 0.0000 52312.0197 -109335.7022 300.6379 -161647.7219 -108964.3664 299.8169 -191.4364 -158.7111 760522.0130 16.1127 15.9919 PRESSURE: 499600 420.403 -267.971 -50.0245 -267.972 188.35 18.6795 -50.0244 18.6807 159.209 GPRESSURE: 499600 432.544 -181.245 -1.02673 -271.64 198.46 56.538 -110.654 -96.7986 235.616 PRESSAVG: 499600 22.8489 -20.8641 -2.37279 -20.8641 3.47375 -26.2973 -2.37282 -26.2972 3.48373 GPRESSAVG: 499600 23.7436 -19.5429 -0.457895 -21.8007 3.50992 -27.0062 -3.59611 -28.893 2.36428 TIMING: 499600 CPU: 1573.42, 0.00313214/step Wall: 1573.42, 0.00313215/step, 3.91553 hours remaining, 232.910156 MB of memory in use. ENERGY: 499600 3922.7103 20420.6578 14417.4336 263.6611 -203506.6931 2474.3793 0.0000 0.0000 52460.5935 -109547.2575 301.4918 -162007.8510 -109177.8506 299.4584 255.9875 288.8732 760305.6661 9.9355 9.8726 PRESSURE: 499800 133.119 61.2512 -47.2764 61.2509 145.485 -119.822 -47.2774 -119.821 -30.7119 GPRESSURE: 499800 86.2183 85.1999 82.5903 68.5232 233.556 -124.54 -62.6829 -119.161 9.69183 PRESSAVG: 499800 30.3894 -15.8029 -21.254 -15.8029 3.98223 26.6578 -21.254 26.6579 15.3538 GPRESSAVG: 499800 28.944 -17.4395 -22.5053 -17.4607 4.8559 26.9868 -19.7482 28.4583 16.3366 TIMING: 499800 CPU: 1574.04, 0.00313489/step Wall: 1574.04, 0.00313489/step, 3.91879 hours remaining, 232.910156 MB of memory in use. ENERGY: 499800 4003.5557 20481.0186 14426.9697 241.9517 -203339.9642 2465.1973 0.0000 0.0000 52112.2534 -109609.0177 299.4898 -161721.2711 -109245.2439 299.3407 82.6309 109.8220 760022.6082 16.5752 16.7122 PRESSURE: 500000 -227.037 13.4632 120.828 13.4629 -322.704 -100.53 120.829 -100.531 -533.48 GPRESSURE: 500000 -266.828 -49.006 101.374 -12.4107 -279.268 -27.8794 133.518 -27.6962 -426.739 PRESSAVG: 500000 -40.2885 -46.7657 15.2743 -46.7657 51.6008 -19.0978 15.2743 -19.0976 -0.212837 GPRESSAVG: 500000 -39.9866 -46.8917 14.2909 -45.4362 51.3771 -18.0601 14.3848 -19.3024 -0.50757 TIMING: 500000 CPU: 1574.67, 0.00313943/step Wall: 1574.67, 0.00313943/step, 3.92429 hours remaining, 232.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 500000 4102.8988 20379.4864 14413.0915 237.7878 -203017.0550 2386.7231 0.0000 0.0000 52028.3265 -109468.7410 299.0075 -161497.0675 -109107.3159 299.7446 -361.0734 -324.2784 763785.2320 3.6998 3.6276 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.014 seconds, 232.910 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.005 seconds, 232.910 MB of memory in use PRESSURE: 500200 -151.074 -55.7041 168.031 -55.7039 47.4293 115.949 168.031 115.949 -289.704 GPRESSURE: 500200 -19.2956 -72.7011 144.246 -2.27265 9.32277 104.639 184.669 43.8816 -303.648 PRESSAVG: 500200 -25.568 3.15501 9.61767 3.15502 64.8832 -9.30779 9.61767 -9.30791 -19.4899 GPRESSAVG: 500200 -25.1447 3.90521 9.82728 1.10861 65.5128 -9.31898 10.9845 -10.3786 -20.1268 TIMING: 500200 CPU: 1575.32, 0.00324977/step Wall: 1575.32, 0.00324977/step, 4.06203 hours remaining, 232.910156 MB of memory in use. ENERGY: 500200 4025.8102 20469.4924 14478.3248 246.0784 -203495.4863 2523.0719 0.0000 0.0000 52269.3359 -109483.3726 300.3926 -161752.7086 -109115.6838 299.6142 -131.1162 -104.5402 760070.2648 6.6085 6.7471 LDB: ============= START OF LOAD BALANCING ============== 1587.72 LDB: ============== END OF LOAD BALANCING =============== 1587.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1587.72 LDB: ============= START OF LOAD BALANCING ============== 1588.03 LDB: Largest compute 7049 load 0.032307 is 16.5% of average load 0.195735 LDB: Average compute 0.004385 is 2.2% of average load 0.195735 LDB: TIME 1588.04 LOAD: AVG 0.195735 MAX 0.215813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.801 MB LDB: TIME 1588.04 LOAD: AVG 0.195735 MAX 0.215813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.84 MB LDB: TIME 1588.04 LOAD: AVG 0.195735 MAX 0.215813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.84 MB LDB: ============== END OF LOAD BALANCING =============== 1588.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1588.04 PRESSURE: 500400 47.5904 -100.742 82.7068 -100.741 151.011 -78.4025 82.707 -78.4024 -4.07142 GPRESSURE: 500400 53.6633 -119.619 129.218 -136.806 197.147 -5.60884 -24.7262 -83.5681 24.013 PRESSAVG: 500400 -22.6974 -20.1326 35.6757 -20.1325 20.905 60.3064 35.6757 60.3064 -18.4986 GPRESSAVG: 500400 -22.8596 -19.1841 37.495 -19.7537 20.9957 58.5164 33.8238 61.1046 -18.4215 TIMING: 500400 CPU: 1575.96, 0.00320036/step Wall: 1575.96, 0.00320036/step, 4.0001 hours remaining, 232.066406 MB of memory in use. ENERGY: 500400 4013.7822 20538.7882 14516.8788 253.0405 -203317.9405 2415.6693 0.0000 0.0000 51956.6025 -109623.1791 298.5953 -161579.7816 -109276.5113 299.5142 64.8432 91.6077 759898.3783 -6.7637 -6.7618 PRESSURE: 500600 -180.402 -82.6501 -108.592 -82.6489 187.237 83.0661 -108.592 83.0657 -10.9215 GPRESSURE: 500600 -101.941 -222.296 -74.9559 -116.017 184.56 134.676 -197.963 -59.998 -4.65644 PRESSAVG: 500600 57.1613 -58.9994 14.4722 -58.9993 -13.6795 -37.0403 14.4723 -37.0404 14.9243 GPRESSAVG: 500600 55.8835 -60.9763 13.8178 -58.7169 -12.1137 -36.0533 13.9787 -34.7504 14.0218 TIMING: 500600 CPU: 1576.59, 0.00312742/step Wall: 1576.59, 0.00312741/step, 3.90875 hours remaining, 232.066406 MB of memory in use. ENERGY: 500600 4039.2350 20444.4114 14502.1335 243.2106 -203101.3875 2191.2237 0.0000 0.0000 52097.1603 -109584.0130 299.4031 -161681.1733 -109223.0342 299.2388 -1.3619 25.9874 761625.2297 19.4687 19.2638 PRESSURE: 500800 31.6228 161.123 -256.214 161.123 54.1292 184.094 -256.214 184.094 166.497 GPRESSURE: 500800 100.591 71.1699 -279.069 261.51 11.1735 119.009 -157.882 61.9988 236.877 PRESSAVG: 500800 -6.99218 -39.003 14.1634 -39.0029 39.2038 -17.4245 14.1634 -17.4245 -11.3695 GPRESSAVG: 500800 -6.60873 -37.3264 12.1982 -39.0413 37.9226 -19.1756 17.9145 -17.4883 -10.4424 TIMING: 500800 CPU: 1577.22, 0.00314849/step Wall: 1577.22, 0.00314849/step, 3.93491 hours remaining, 232.066406 MB of memory in use. ENERGY: 500800 4034.3056 20534.6561 14450.8642 247.4634 -203355.2435 2634.2769 0.0000 0.0000 51960.3699 -109493.3074 298.6170 -161453.6772 -109127.0114 299.3145 84.0830 116.2139 762039.9796 6.9474 6.9572 PRESSURE: 501000 105.3 71.0658 76.5292 71.0678 217.707 33.3812 76.528 33.3815 224.816 GPRESSURE: 501000 92.7137 123.484 172.515 52.1124 309.262 71.2154 41.0232 131.534 244.558 PRESSAVG: 501000 -8.77741 9.54143 -33.5658 9.54149 -14.2226 12.4852 -33.5658 12.4852 5.44325 GPRESSAVG: 501000 -9.59479 9.79683 -31.8558 10.4228 -14.1365 13.6094 -35.0179 11.5656 6.08663 TIMING: 501000 CPU: 1577.85, 0.00314657/step Wall: 1577.85, 0.00314657/step, 3.93234 hours remaining, 232.066406 MB of memory in use. ENERGY: 501000 3977.3008 20407.7600 14542.7223 259.0991 -203674.4959 2836.7538 0.0000 0.0000 52109.7381 -109541.1218 299.4754 -161650.8599 -109187.3508 299.3145 182.6075 215.5115 760803.9833 -5.8523 -5.8816 PRESSURE: 501200 -316.916 -66.4184 -234.573 -66.4186 39.5984 -117.905 -234.573 -117.905 -40.6437 GPRESSURE: 501200 -283.787 -32.5081 -320.365 -83.4763 6.40974 -143.724 -134.035 -97.238 56.3063 PRESSAVG: 501200 29.7432 2.02554 -36.5929 2.02557 -32.9994 15.6141 -36.5928 15.6139 14.3628 GPRESSAVG: 501200 30.4765 0.179438 -38.1819 2.1854 -32.2363 16.1387 -36.1464 15.3353 12.8871 TIMING: 501200 CPU: 1578.48, 0.00314304/step Wall: 1578.48, 0.00314304/step, 3.92776 hours remaining, 232.066406 MB of memory in use. ENERGY: 501200 3973.3126 20484.2772 14433.7239 252.6614 -203279.5819 2513.1584 0.0000 0.0000 52034.1518 -109588.2966 299.0410 -161622.4483 -109215.8863 299.5491 -105.9871 -73.6903 762133.7820 3.7022 3.7091 PRESSURE: 501400 -142.613 -71.3414 -20.5514 -71.3417 41.5488 56.0975 -20.5518 56.0983 -35.6274 GPRESSURE: 501400 -88.283 5.24152 16.6673 -5.07949 18.4638 37.4196 63.6206 48.4657 2.27154 PRESSAVG: 501400 10.0107 -57.3261 -36.1316 -57.3262 40.8225 4.73073 -36.1316 4.73076 -20.1236 GPRESSAVG: 501400 9.799 -58.4668 -36.4194 -56.543 40.1564 4.25429 -35.1903 5.43075 -19.7259 TIMING: 501400 CPU: 1579.11, 0.00316129/step Wall: 1579.11, 0.00316129/step, 3.95038 hours remaining, 232.066406 MB of memory in use. ENERGY: 501400 4000.4521 20482.2606 14461.6103 244.5301 -203109.0913 2225.0310 0.0000 0.0000 52029.1804 -109666.0268 299.0124 -161695.2072 -109304.7630 299.3413 -45.5638 -22.5159 761859.1330 10.2365 10.0765 PRESSURE: 501600 -215.331 -18.9826 -101.736 -18.9824 -475.523 -207.28 -101.737 -207.28 -469.733 GPRESSURE: 501600 -137.304 -119.42 -153.038 33.9371 -427.855 -214.484 -127.625 -189.785 -491.041 PRESSAVG: 501600 12.6472 -6.44453 -26.0205 -6.44455 -63.8123 -6.0408 -26.0205 -6.04087 1.31093 GPRESSAVG: 501600 12.2547 -5.39748 -25.1492 -7.17222 -63.2747 -5.34842 -26.7852 -7.81044 1.15302 TIMING: 501600 CPU: 1579.73, 0.00312458/step Wall: 1579.73, 0.00312458/step, 3.90434 hours remaining, 232.066406 MB of memory in use. ENERGY: 501600 3952.9539 20306.6769 14476.5864 238.7137 -203178.3032 2352.8700 0.0000 0.0000 52296.4015 -109554.1007 300.5481 -161850.5023 -109185.1995 298.9310 -386.8624 -352.0666 761860.4521 -16.6181 -16.6223 PRESSURE: 501800 -351.408 -228.368 -51.8424 -228.369 34.4902 36.8272 -51.8424 36.8284 -285.644 GPRESSURE: 501800 -270.451 -213.652 -145.42 -285.207 34.2288 -19.086 -48.3747 169.077 -293.516 PRESSAVG: 501800 -8.09268 -63.533 -3.61084 -63.533 -19.6957 -18.6893 -3.61084 -18.6893 -6.967 GPRESSAVG: 501800 -7.92472 -61.9245 -4.37918 -64.0198 -20.4966 -17.7439 -4.73152 -18.3377 -6.61281 TIMING: 501800 CPU: 1580.36, 0.00314136/step Wall: 1580.36, 0.00314136/step, 3.92512 hours remaining, 232.066406 MB of memory in use. ENERGY: 501800 3984.5438 20648.6859 14436.9743 239.2124 -203181.6390 2181.0340 0.0000 0.0000 52094.3623 -109596.8264 299.3870 -161691.1887 -109230.5139 298.9558 -200.8539 -176.5795 760903.8750 -11.5851 -11.6780 PRESSURE: 502000 57.7157 63.4822 -45.5377 63.4821 -254.425 383.204 -45.5379 383.204 -328.762 GPRESSURE: 502000 34.8413 37.287 -7.28382 -7.4143 -247.879 358.896 -100.79 362.19 -221.012 PRESSAVG: 502000 9.59749 -31.3652 -7.32849 -31.3652 -10.4077 27.3504 -7.32844 27.3506 1.62614 GPRESSAVG: 502000 10.1405 -32.1846 -6.38947 -29.6023 -10.7801 26.5484 -7.36981 26.7718 1.53461 TIMING: 502000 CPU: 1580.99, 0.00312936/step Wall: 1580.99, 0.00312936/step, 3.90996 hours remaining, 232.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 502000 4016.4588 20624.8642 14369.6947 246.3165 -203115.8406 2157.8490 0.0000 0.0000 52125.7024 -109574.9551 299.5671 -161700.6575 -109219.3887 298.9159 -175.1572 -144.6833 761759.8040 0.2720 0.2983 PRESSURE: 502200 -78.249 -78.5562 10.6968 -78.5563 131.792 47.7839 10.6979 47.7835 36.7228 GPRESSURE: 502200 -25.3536 -130.607 21.243 -69.437 154.459 116.186 5.17176 -58.605 55.0379 PRESSAVG: 502200 19.9476 -41.4779 -40.389 -41.4779 -26.388 4.55125 -40.389 4.55128 12.2552 GPRESSAVG: 502200 19.6765 -40.8527 -41.6453 -43.1164 -26.2263 4.12954 -39.915 5.04462 12.5351 TIMING: 502200 CPU: 1581.61, 0.00311608/step Wall: 1581.61, 0.00311608/step, 3.8932 hours remaining, 232.066406 MB of memory in use. ENERGY: 502200 3996.1550 20513.7813 14409.1391 252.0525 -203537.0511 2654.6595 0.0000 0.0000 52166.1170 -109545.1468 299.7994 -161711.2638 -109175.3375 299.2101 30.0884 61.3811 760566.1457 1.9383 1.9951 PRESSURE: 502400 -103.66 -222.828 -198.913 -222.828 -83.5849 -88.2146 -198.914 -88.2154 81.91 GPRESSURE: 502400 -73.5795 -186.546 -210.173 -134.426 31.6288 -84.9122 -18.5702 77.9555 42.7857 PRESSAVG: 502400 27.9913 2.87916 -38.0453 2.87919 -61.0563 11.188 -38.0453 11.1879 -24.2896 GPRESSAVG: 502400 27.9324 1.92628 -36.4419 4.00577 -60.2609 10.0863 -36.1958 12.1913 -24.981 TIMING: 502400 CPU: 1582.23, 0.00311836/step Wall: 1582.23, 0.00311836/step, 3.89587 hours remaining, 232.066406 MB of memory in use. ENERGY: 502400 3965.7532 20515.2839 14461.6726 253.8294 -203286.9892 2543.2092 0.0000 0.0000 52124.2880 -109422.9529 299.5590 -161547.2410 -109060.1418 299.9394 -35.1117 0.2783 762406.1450 -19.1182 -19.1032 PRESSURE: 502600 119.736 -59.3259 -32.1331 -59.325 72.055 232.503 -32.1319 232.505 352.602 GPRESSURE: 502600 123.539 -133.884 -152.151 -62.3476 71.0047 277.793 -62.81 133.053 435.166 PRESSAVG: 502600 14.1224 -35.202 -12.1724 -35.202 29.3218 -34.1305 -12.1725 -34.1304 -4.14005 GPRESSAVG: 502600 14.0978 -35.419 -12.7394 -35.5694 28.0815 -33.0158 -12.6946 -34.6128 -2.98467 TIMING: 502600 CPU: 1582.86, 0.00314252/step Wall: 1582.86, 0.00314252/step, 3.92588 hours remaining, 232.066406 MB of memory in use. ENERGY: 502600 3924.2986 20572.8819 14504.8232 244.4192 -203695.9296 2926.4031 0.0000 0.0000 52164.4044 -109358.6993 299.7895 -161523.1037 -108998.6969 300.1982 181.4646 209.9030 761013.5164 13.1014 13.0649 PRESSURE: 502800 386.817 85.1989 358.194 85.1987 249.623 -81.0727 358.193 -81.0737 249.44 GPRESSURE: 502800 388.568 18.2425 336.969 93.7915 329.779 -101.197 443.646 -140.22 219.394 PRESSAVG: 502800 31.2281 -79.9441 -50.3902 -79.9441 -58.5876 -32.8343 -50.3902 -32.8343 -1.65017 GPRESSAVG: 502800 29.9766 -81.0146 -49.6441 -81.6808 -56.8561 -32.5805 -52.1909 -33.6408 -2.67003 TIMING: 502800 CPU: 1583.49, 0.00312779/step Wall: 1583.49, 0.00312779/step, 3.9073 hours remaining, 232.066406 MB of memory in use. ENERGY: 502800 3935.3913 20458.6228 14418.4645 245.5419 -203094.3298 2538.8228 0.0000 0.0000 52261.0405 -109236.4459 300.3449 -161497.4864 -108873.5518 299.5549 295.2934 312.5803 761817.2540 -9.6699 -9.8498 PRESSURE: 503000 -200.465 14.6574 218.564 14.6573 -2.34301 -168.691 218.565 -168.692 -211.082 GPRESSURE: 503000 -84.7448 -58.3048 314.111 4.36653 -25.4368 -271.643 46.4857 -133.982 -208.069 PRESSAVG: 503000 14.1544 -23.6458 2.93178 -23.6457 -36.0555 -80.5559 2.93181 -80.5559 -3.61494 GPRESSAVG: 503000 15.0654 -22.6409 0.89148 -23.9056 -37.4656 -79.3879 3.09397 -79.6259 -3.26445 TIMING: 503000 CPU: 1584.12, 0.00314517/step Wall: 1584.12, 0.00314517/step, 3.92884 hours remaining, 232.066406 MB of memory in use. ENERGY: 503000 4037.5206 20536.7706 14429.5576 251.6306 -203425.8481 2661.5792 0.0000 0.0000 52273.9996 -109234.7900 300.4194 -161508.7895 -108870.8416 299.6970 -137.9633 -106.0834 760299.3787 -8.5054 -8.5549 PRESSURE: 503200 147.014 -10.7656 -208.464 -10.7667 112.806 21.6806 -208.464 21.6797 7.28674 GPRESSURE: 503200 164.557 -16.7109 -202.101 129.636 166.218 87.4592 -158.105 -123.45 14.7153 PRESSAVG: 503200 12.2964 2.9652 -20.8817 2.96524 8.7388 -43.6359 -20.8817 -43.6359 28.6608 GPRESSAVG: 503200 11.344 1.64225 -19.4511 3.14812 8.50009 -44.9748 -19.2557 -44.3169 29.2465 TIMING: 503200 CPU: 1584.74, 0.00313479/step Wall: 1584.74, 0.00313479/step, 3.9157 hours remaining, 232.066406 MB of memory in use. ENERGY: 503200 3991.1210 20593.5134 14461.1665 273.4127 -203273.2062 2566.6306 0.0000 0.0000 52041.5139 -109345.8480 299.0833 -161387.3619 -108986.9201 300.0574 89.0356 115.1634 760083.7379 16.5653 16.3635 PRESSURE: 503400 216.165 -63.1236 -85.0744 -63.1228 196.239 159.733 -85.0742 159.733 -19.4125 GPRESSURE: 503400 209.391 61.0552 -81.8702 -109.757 254.037 190.464 -60.8618 191.754 -2.02106 PRESSAVG: 503400 -5.80554 -33.9407 -46.5567 -33.9407 40.4366 35.6587 -46.5567 35.6587 9.22396 GPRESSAVG: 503400 -5.20622 -30.6973 -44.8733 -35.3655 40.1659 35.7741 -46.9965 35.5512 8.56397 TIMING: 503400 CPU: 1585.37, 0.00312908/step Wall: 1585.37, 0.00312908/step, 3.90839 hours remaining, 232.066406 MB of memory in use. ENERGY: 503400 3938.9469 20677.8239 14370.2634 241.8456 -203491.3794 2674.7777 0.0000 0.0000 52250.6208 -109337.1011 300.2850 -161587.7219 -108965.9649 299.9065 130.9970 153.8026 760645.9804 14.6183 14.5079 PRESSURE: 503600 7.73384 -31.4366 -63.9368 -31.4367 -60.7096 27.6263 -63.9367 27.626 -68.5077 GPRESSURE: 503600 83.7949 -2.53548 19.0524 -90.8804 -17.1472 -40.0345 -101.514 66.76 -104.786 PRESSAVG: 503600 2.3444 -78.9433 22.708 -78.9432 3.94012 15.4719 22.7081 15.4719 8.32978 GPRESSAVG: 503600 1.96095 -80.6607 20.817 -79.2388 4.4592 15.191 21.5372 15.4214 7.83984 TIMING: 503600 CPU: 1586, 0.0031304/step Wall: 1586, 0.0031304/step, 3.90987 hours remaining, 232.066406 MB of memory in use. ENERGY: 503600 3980.8423 20648.9559 14354.6860 250.9177 -203730.1431 2818.4992 0.0000 0.0000 52536.3332 -109139.9088 301.9270 -161676.2420 -108778.7168 300.1010 -40.4945 -12.7127 760474.6392 4.8714 4.7533 PRESSURE: 503800 286.902 203.869 -34.3585 203.868 -214.333 98.905 -34.3589 98.9052 -370.521 GPRESSURE: 503800 230.118 119.299 -140.639 279.983 -187.79 105.562 1.28063 156.586 -261.202 PRESSAVG: 503800 -0.96852 -26.6015 -4.1444 -26.6016 -1.77088 -21.0828 -4.14439 -21.0828 5.35782 GPRESSAVG: 503800 -1.52264 -26.4316 -5.05784 -26.0705 -2.75476 -20.1779 -3.56955 -21.6113 6.92455 TIMING: 503800 CPU: 1586.62, 0.0031309/step Wall: 1586.62, 0.0031309/step, 3.91032 hours remaining, 232.066406 MB of memory in use. ENERGY: 503800 4013.0618 20418.4394 14443.2922 246.3755 -203375.4218 2730.4497 0.0000 0.0000 52365.7363 -109158.0669 300.9466 -161523.8032 -108798.0814 300.4040 -99.3172 -72.9583 759974.6420 0.8728 0.8824 PRESSURE: 504000 354.19 114.649 37.1812 114.65 -156.626 -165.908 37.1812 -165.909 -245.106 GPRESSURE: 504000 290.597 42.4681 -26.5535 60.0492 -0.443698 -285.669 148.177 -62.3372 -244.6 PRESSAVG: 504000 39.1628 22.1462 -42.2829 22.1463 -46.2204 2.70287 -42.2829 2.70292 7.6263 GPRESSAVG: 504000 39.4216 22.8759 -40.4719 22.0842 -45.4382 2.94958 -42.6759 3.15622 6.26103 TIMING: 504000 CPU: 1587.25, 0.00313/step Wall: 1587.25, 0.00313/step, 3.90902 hours remaining, 232.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 504000 3985.8306 20596.0308 14430.2164 253.6382 -203496.5450 2732.8283 0.0000 0.0000 52394.4933 -109103.5075 301.1119 -161498.0008 -108749.5315 300.2463 -15.8473 15.1842 759359.4786 0.1896 0.0815 PRESSURE: 504200 -128.766 -114.993 -256.07 -114.993 -246.762 -174.601 -256.07 -174.602 -435.538 GPRESSURE: 504200 -138.711 -158.292 -261.544 -78.3389 -134.507 -126.373 -149.061 -200.143 -440.861 PRESSAVG: 504200 47.1835 40.9531 12.9825 40.953 -20.0992 34.2843 12.9825 34.2843 13.7919 GPRESSAVG: 504200 47.3598 39.4393 14.374 41.3672 -19.9822 33.1035 14.7713 33.5915 13.0251 TIMING: 504200 CPU: 1587.87, 0.00312756/step Wall: 1587.87, 0.00312756/step, 3.9058 hours remaining, 232.066406 MB of memory in use. ENERGY: 504200 4075.1100 20497.6919 14472.4397 238.0071 -202914.1636 2438.8047 0.0000 0.0000 52092.7668 -109099.3435 299.3778 -161192.1103 -108740.1729 300.3750 -270.3550 -238.0264 761980.0956 13.6254 13.4676 LDB: ============= START OF LOAD BALANCING ============== 1600.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1600.27 LDB: =============== DONE WITH MIGRATION ================ 1600.27 LDB: ============= START OF LOAD BALANCING ============== 1600.58 LDB: Largest compute 7070 load 0.033043 is 16.9% of average load 0.195770 LDB: Average compute 0.004405 is 2.3% of average load 0.195770 LDB: TIME 1600.59 LOAD: AVG 0.19577 MAX 0.214331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.293 MB LDB: TIME 1600.59 LOAD: AVG 0.19577 MAX 0.214331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.293 MB LDB: TIME 1600.59 LOAD: AVG 0.19577 MAX 0.214331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.293 MB LDB: ============== END OF LOAD BALANCING =============== 1600.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1600.59 PRESSURE: 504400 -195.351 62.8453 144.648 62.8455 -47.7596 -264.425 144.649 -264.424 63.6217 GPRESSURE: 504400 -154.839 67.9241 -8.59452 23.671 -26.3755 -156.121 216.077 -263.979 86.1214 PRESSAVG: 504400 -6.72455 18.0767 4.134 18.0768 57.8683 -5.30941 4.13399 -5.30937 -20.2479 GPRESSAVG: 504400 -6.99581 18.8383 1.69897 17.4603 57.5445 -3.39788 1.69433 -3.89145 -19.6672 TIMING: 504400 CPU: 1588.51, 0.00319287/step Wall: 1588.51, 0.00319287/step, 3.98719 hours remaining, 233.859375 MB of memory in use. ENERGY: 504400 4054.7956 20547.8091 14463.0558 236.4670 -203494.8145 2740.8985 0.0000 0.0000 52343.2121 -109108.5764 300.8172 -161451.7886 -108744.4899 300.2113 -59.8297 -31.6976 759898.6587 10.2986 10.2938 PRESSURE: 504600 400.257 6.03461 99.925 6.03437 410.888 -136.375 99.9251 -136.374 380.18 GPRESSURE: 504600 444.487 104.83 210.416 -5.12813 459.765 -37.1642 138.767 -165.974 384.586 PRESSAVG: 504600 9.34693 -6.94415 13.0129 -6.9442 -16.4138 -40.9121 13.0129 -40.9121 -6.94893 GPRESSAVG: 504600 9.37588 -7.50533 13.4344 -5.01593 -16.5192 -42.3121 14.5375 -41.5132 -6.8593 TIMING: 504600 CPU: 1589.14, 0.00311713/step Wall: 1589.14, 0.00311713/step, 3.89242 hours remaining, 234.503906 MB of memory in use. ENERGY: 504600 3992.4827 20487.1702 14492.5967 246.8234 -203265.5721 2725.0003 0.0000 0.0000 52223.3519 -109098.1469 300.1283 -161321.4988 -108741.5539 300.1745 397.1086 429.6125 759103.0043 -4.6719 -4.6676 PRESSURE: 504800 -378.644 140.343 -155.74 140.342 -491.202 -34.2064 -155.74 -34.2056 -83.446 GPRESSURE: 504800 -308.023 126.096 -158.221 129.168 -468.188 -62.2059 -37.5486 -7.06324 -99.5851 PRESSAVG: 504800 -49.4973 -30.7405 14.3021 -30.7405 29.2277 -22.9566 14.3021 -22.9567 -9.11179 GPRESSAVG: 504800 -49.0532 -29.2785 14.1425 -31.519 28.7453 -22.5278 13.526 -22.846 -8.79507 TIMING: 504800 CPU: 1589.76, 0.003125/step Wall: 1589.76, 0.003125/step, 3.90209 hours remaining, 234.503906 MB of memory in use. ENERGY: 504800 4085.8875 20401.6822 14452.2097 256.0054 -203011.9380 2472.8530 0.0000 0.0000 52163.7702 -109179.5301 299.7859 -161343.3003 -108807.9874 299.9458 -317.7641 -291.9323 761669.5003 -9.7938 -9.7010 PRESSURE: 505000 315.113 28.313 54.0132 28.3137 27.5059 -240.734 54.0139 -240.734 -289.579 GPRESSURE: 505000 308.16 18.3452 80.7162 30.2626 21.7813 -242.924 35.5845 -225.459 -201.911 PRESSAVG: 505000 31.6852 -42.5786 23.5576 -42.5786 -24.4094 13.9749 23.5576 13.9749 9.63872 GPRESSAVG: 505000 30.8004 -43.4269 23.5058 -43.8033 -23.5745 13.9708 24.2929 13.5141 10.2305 TIMING: 505000 CPU: 1590.38, 0.00312228/step Wall: 1590.38, 0.00312228/step, 3.89852 hours remaining, 234.503906 MB of memory in use. ENERGY: 505000 4078.9048 20562.2852 14456.6946 269.2715 -203431.7820 2688.1598 0.0000 0.0000 52110.8673 -109265.5988 299.4819 -161376.4661 -108908.1947 300.4873 17.6800 42.6768 760628.5638 5.6382 5.8188 PRESSURE: 505200 -64.4659 -81.6701 81.6819 -81.6697 -1.47662 -62.9591 81.6816 -62.9595 82.9765 GPRESSURE: 505200 83.1094 -66.9956 89.2161 -6.155 -68.5618 35.5043 58.5083 -170.829 96.5302 PRESSAVG: 505200 9.99085 -65.1485 20.5522 -65.1485 -18.5508 -72.2197 20.5522 -72.2197 11.341 GPRESSAVG: 505200 11.7946 -66.2339 21.5407 -62.4759 -18.7461 -72.9777 20.1063 -72.8787 9.73545 TIMING: 505200 CPU: 1591.01, 0.00311626/step Wall: 1591.01, 0.00311626/step, 3.89082 hours remaining, 234.503906 MB of memory in use. ENERGY: 505200 4024.9430 20466.2676 14410.2302 272.4827 -203177.9446 2378.1769 0.0000 0.0000 52161.3916 -109464.4527 299.7722 -161625.8443 -109095.5929 299.6695 5.6780 37.0259 762553.1386 0.9270 0.9280 PRESSURE: 505400 -163.097 34.0148 -191.001 34.0136 -61.3159 -71.9926 -191.002 -71.9929 362.305 GPRESSURE: 505400 -70.1674 -45.5357 -302.477 -35.2929 8.03738 -28.4922 -233.038 -83.414 282.979 PRESSAVG: 505400 -10.0537 -18.8131 -26.4143 -18.8132 0.156212 15.1136 -26.4143 15.1137 2.92382 GPRESSAVG: 505400 -11.3278 -15.4732 -29.2671 -21.4259 -0.364792 15.8743 -25.1319 14.8395 4.27005 TIMING: 505400 CPU: 1591.63, 0.00311935/step Wall: 1591.63, 0.00311935/step, 3.89451 hours remaining, 234.503906 MB of memory in use. ENERGY: 505400 3951.6072 20631.6695 14480.2910 253.4764 -203742.2087 2731.8962 0.0000 0.0000 52199.5274 -109493.7411 299.9914 -161693.2685 -109132.9060 299.3278 45.9641 73.6162 759268.6694 -2.3246 -2.4742 PRESSURE: 505600 -291.414 -24.2671 -25.0752 -24.2664 20.8247 80.1297 -25.0761 80.1289 -243.083 GPRESSURE: 505600 -294.848 -41.5163 3.39551 -109.491 10.1047 111.955 -47.352 110.246 -152.805 PRESSAVG: 505600 30.5421 7.46308 -37.5672 7.46308 31.269 29.3594 -37.5672 29.3594 -15.1554 GPRESSAVG: 505600 30.8782 4.1984 -34.9118 7.49092 31.2577 29.1078 -38.0194 30.0754 -15.0846 TIMING: 505600 CPU: 1592.25, 0.00311173/step Wall: 1592.25, 0.00311173/step, 3.88482 hours remaining, 234.503906 MB of memory in use. ENERGY: 505600 3954.5982 20479.8945 14560.0276 254.4765 -203303.3592 2345.3344 0.0000 0.0000 52193.7596 -109515.2684 299.9583 -161709.0280 -109155.9565 299.6348 -171.2240 -145.8496 760366.2984 15.5519 15.6838 PRESSURE: 505800 -101.129 -72.9566 -62.4488 -72.956 -121.161 -218.402 -62.4483 -218.401 -106.218 GPRESSURE: 505800 -54.8727 18.8092 -110.189 69.3291 -155.468 -264.071 -86.0153 -170.37 -19.8039 PRESSAVG: 505800 19.3972 30.4773 19.3514 30.4773 -9.07324 17.0599 19.3515 17.0598 15.4559 GPRESSAVG: 505800 17.4099 31.1083 19.7118 30.8601 -9.47278 16.6166 18.8943 17.0231 16.7408 TIMING: 505800 CPU: 1592.88, 0.00311857/step Wall: 1592.88, 0.00311857/step, 3.89318 hours remaining, 234.503906 MB of memory in use. ENERGY: 505800 3974.1324 20303.2479 14446.1055 248.9605 -203572.1666 2529.8673 0.0000 0.0000 52323.6976 -109746.1553 300.7050 -162069.8529 -109380.3124 299.1657 -109.5028 -76.7147 761051.3204 8.5933 8.2260 PRESSURE: 506000 58.0073 -30.0691 -181.691 -30.0697 -203.668 -27.9735 -181.69 -27.9732 -4.58835 GPRESSURE: 506000 38.0488 -67.5964 -197.891 80.418 -100.051 18.7013 -57.4458 -82.3285 -3.90245 PRESSAVG: 506000 38.353 -41.0019 10.8987 -41.0019 18.3797 -9.89663 10.8987 -9.89655 -8.50371 GPRESSAVG: 506000 39.0985 -39.9464 10.5743 -41.5995 18.4319 -10.1966 11.017 -11.0041 -8.44778 TIMING: 506000 CPU: 1593.51, 0.0031371/step Wall: 1593.51, 0.0031371/step, 3.91614 hours remaining, 234.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 506000 3929.3880 20468.2673 14452.5455 234.3602 -203511.3872 2534.0371 0.0000 0.0000 52009.4460 -109883.3431 298.8990 -161892.7891 -109519.1276 298.7050 -50.0829 -21.9684 760367.6570 16.0763 16.3608 PRESSURE: 506200 144.973 44.5565 135.121 44.5574 154.958 80.4441 135.12 80.444 39.4955 GPRESSURE: 506200 178.993 60.7269 139.439 77.3282 200.531 30.9503 150.474 67.6825 31.977 PRESSAVG: 506200 2.65134 15.3818 39.5546 15.3819 17.1072 6.71112 39.5545 6.71108 2.67626 GPRESSAVG: 506200 4.68826 15.0423 38.9402 17.7353 16.4943 5.01715 40.9982 10.6743 0.576417 TIMING: 506200 CPU: 1594.13, 0.00312324/step Wall: 1594.13, 0.00312324/step, 3.89867 hours remaining, 234.503906 MB of memory in use. ENERGY: 506200 3963.9973 20454.8201 14509.1112 229.8520 -203197.3994 2258.0411 0.0000 0.0000 52016.3976 -109765.1800 298.9390 -161781.5776 -109394.3059 298.8179 113.1424 137.1668 759867.0000 7.4783 7.2530 PRESSURE: 506400 82.9998 21.0104 127.469 21.0099 -205.778 5.05442 127.469 5.05375 224.816 GPRESSURE: 506400 114.803 -150.301 76.7773 -108.005 -184.87 51.5627 118.17 -44.1744 260.753 PRESSAVG: 506400 -1.94171 -5.01607 -51.1541 -5.0161 5.81274 15.7614 -51.1541 15.7613 -20.0646 GPRESSAVG: 506400 -3.05876 -6.87053 -49.9042 -8.53596 7.3365 15.9222 -53.578 14.846 -19.8493 TIMING: 506400 CPU: 1594.75, 0.00311385/step Wall: 1594.75, 0.00311385/step, 3.88678 hours remaining, 234.503906 MB of memory in use. ENERGY: 506400 3934.4359 20473.9542 14491.7390 244.0765 -203249.7250 2557.1675 0.0000 0.0000 52024.8724 -109523.4794 298.9877 -161548.3518 -109154.6779 298.6090 34.0128 63.5622 760800.1627 -5.3979 -5.1905 PRESSURE: 506600 76.4711 -74.3524 58.2256 -74.3532 -364.64 84.6346 58.2255 84.634 141.62 GPRESSURE: 506600 136.472 -19.8834 0.42216 90.9586 -353.359 79.3685 -99.6233 169.423 144.309 PRESSAVG: 506600 32.113 -19.2472 -40.896 -19.2472 -23.1823 -60.5318 -40.8961 -60.5319 19.1367 GPRESSAVG: 506600 31.7119 -18.5074 -42.9029 -17.3755 -23.5593 -58.3816 -39.5768 -62.248 20.2356 TIMING: 506600 CPU: 1595.38, 0.00312282/step Wall: 1595.38, 0.00312282/step, 3.8978 hours remaining, 234.503906 MB of memory in use. ENERGY: 506600 3973.8806 20386.3120 14503.3170 245.5423 -203181.0000 2525.7468 0.0000 0.0000 52063.4899 -109482.7115 299.2096 -161546.2014 -109107.7271 299.1738 -48.8496 -24.1927 762658.8536 9.3558 9.4627 PRESSURE: 506800 179.211 -9.75906 -19.31 -9.75859 -34.5139 -187.007 -19.3089 -187.007 -234.883 GPRESSURE: 506800 111.315 -2.17944 -142.679 -29.5878 79.3291 -172.869 -145.115 -116.716 -212.46 PRESSAVG: 506800 13.5334 -51.2897 7.8934 -51.2897 25.453 -21.4732 7.89339 -21.4732 -8.96466 GPRESSAVG: 506800 14.9603 -49.3697 8.12785 -51.0201 24.677 -23.225 8.22256 -21.9152 -9.90299 TIMING: 506800 CPU: 1596, 0.0031163/step Wall: 1596, 0.0031163/step, 3.88948 hours remaining, 234.503906 MB of memory in use. ENERGY: 506800 3987.5427 20439.9005 14550.6979 230.7928 -203416.2834 2646.2165 0.0000 0.0000 52171.4696 -109389.6634 299.8302 -161561.1330 -109020.7588 299.2901 -30.0620 -7.2722 760922.2339 10.0072 9.9114 PRESSURE: 507000 145.098 132.957 171.92 132.956 -107.225 -115.997 171.919 -115.998 125.757 GPRESSURE: 507000 68.9271 63.7355 149.337 169.33 19.1581 -86.0642 182.789 -21.5152 152.828 PRESSAVG: 507000 -33.0247 -9.88448 46.9983 -9.8845 26.3604 -45.1384 46.9982 -45.1385 9.46921 GPRESSAVG: 507000 -32.4156 -13.2835 47.7326 -8.71881 27.0531 -43.658 46.7476 -45.9577 8.91499 TIMING: 507000 CPU: 1596.63, 0.00313289/step Wall: 1596.63, 0.00313289/step, 3.91002 hours remaining, 234.503906 MB of memory in use. ENERGY: 507000 3964.8987 20384.0635 14463.7856 231.0587 -203227.5401 2502.7428 0.0000 0.0000 52256.1644 -109424.8264 300.3169 -161680.9908 -109065.6880 299.5536 54.5433 80.3044 761157.9747 0.9350 1.1842 PRESSURE: 507200 -24.3674 -45.1254 -7.5125 -45.125 -182.138 116.261 -7.5128 116.261 -437.436 GPRESSURE: 507200 -38.9388 -7.1661 -27.4801 96.4562 -123.652 78.774 27.6268 185.228 -410.204 PRESSAVG: 507200 -42.6555 8.53507 16.3224 8.53507 17.6123 -5.3691 16.3224 -5.36909 -19.1547 GPRESSAVG: 507200 -43.6 10.4916 15.4692 7.54819 16.9963 -6.11421 15.2724 -2.47093 -17.7078 TIMING: 507200 CPU: 1597.26, 0.00314875/step Wall: 1597.26, 0.00314875/step, 3.92965 hours remaining, 234.503906 MB of memory in use. ENERGY: 507200 4030.0782 20455.4279 14447.1434 241.3687 -203131.5412 2414.5458 0.0000 0.0000 51886.6016 -109656.3757 298.1930 -161542.9773 -109306.8809 298.9230 -214.6470 -190.9316 762844.8029 -14.7326 -14.7705 PRESSURE: 507400 335.433 -49.3902 -5.29532 -49.3905 -22.1263 162.113 -5.2961 162.112 316.733 GPRESSURE: 507400 353.406 -5.73728 -40.6068 2.41303 -3.78572 185.147 -67.3433 87.6338 342.222 PRESSAVG: 507400 12.029 -1.57883 39.6939 -1.57882 -1.60791 -18.9881 39.6939 -18.9882 14.7646 GPRESSAVG: 507400 11.9871 -1.45031 40.7424 -1.99732 -2.32863 -18.1889 38.5446 -20.2641 15.4743 TIMING: 507400 CPU: 1597.88, 0.00313171/step Wall: 1597.88, 0.00313171/step, 3.9082 hours remaining, 234.503906 MB of memory in use. ENERGY: 507400 3870.4118 20522.7279 14409.2139 250.9331 -203586.1529 2712.4754 0.0000 0.0000 52283.8923 -109536.4985 300.4762 -161820.3908 -109178.3013 299.0116 210.0133 230.6138 762557.8113 8.3952 8.3776 PRESSURE: 507600 174.88 -66.9125 106.897 -66.9131 -112.648 -13.3433 106.896 -13.3436 346.243 GPRESSURE: 507600 146.64 -141.05 144.931 -108.019 -3.4526 -65.0211 138.593 -96.009 370.437 PRESSAVG: 507600 -4.07658 13.3265 41.1796 13.3265 -27.9259 -9.85298 41.1796 -9.85298 14.9001 GPRESSAVG: 507600 -3.87723 11.9851 39.8674 14.3301 -26.9584 -10.5545 42.4395 -10.3896 14.07 TIMING: 507600 CPU: 1598.51, 0.00313037/step Wall: 1598.51, 0.00313037/step, 3.90636 hours remaining, 234.503906 MB of memory in use. ENERGY: 507600 3893.3638 20502.4555 14434.9385 253.9806 -203150.4960 2275.6608 0.0000 0.0000 52216.7641 -109573.3327 300.0905 -161790.0968 -109208.9674 299.0979 136.1586 171.2084 761365.9200 -5.7008 -5.5885 PRESSURE: 507800 -354.955 100.25 198.653 100.25 -123.29 -65.8326 198.653 -65.8323 -284.792 GPRESSURE: 507800 -274.582 161.459 97.9246 101.902 -166.516 -64.3008 198.459 -29.5638 -261.404 PRESSAVG: 507800 4.02255 29.9494 36.1344 29.9494 -22.021 28.4291 36.1344 28.4291 -11.8401 GPRESSAVG: 507800 4.54581 34.0123 37.235 27.1508 -23.5506 28.5043 35.9192 28.8232 -11.0323 TIMING: 507800 CPU: 1599.13, 0.00312476/step Wall: 1599.13, 0.00312476/step, 3.89918 hours remaining, 234.503906 MB of memory in use. ENERGY: 507800 4030.5844 20417.5165 14444.9447 249.1091 -203050.0863 2239.9244 0.0000 0.0000 52054.7182 -109613.2890 299.1592 -161668.0071 -109259.4006 299.2946 -254.3455 -234.1672 760689.1927 -9.9462 -10.0124 PRESSURE: 508000 -405.476 108.719 -74.5374 108.719 -229.458 50.6248 -74.5384 50.6241 -402.679 GPRESSURE: 508000 -376.366 204.247 -120.597 -17.0531 -173.087 55.176 -195.003 120.248 -406.852 PRESSAVG: 508000 -0.15231 7.12053 20.2738 7.12048 -2.75393 8.67294 20.2738 8.67293 -8.45689 GPRESSAVG: 508000 -2.10819 3.243 19.7966 8.44288 -1.03949 10.0926 21.0745 9.37217 -8.23501 TIMING: 508000 CPU: 1599.76, 0.00313025/step Wall: 1599.76, 0.00313025/step, 3.90586 hours remaining, 234.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 508000 4093.9073 20340.7619 14429.3839 263.9205 -203391.7244 2539.8650 0.0000 0.0000 51987.2559 -109736.6298 298.7715 -161723.8858 -109379.2543 299.2785 -345.8710 -318.7681 761018.6831 -3.7877 -3.7942 PRESSURE: 508200 -40.8107 -143.44 -19.5196 -143.441 169.652 -265.951 -19.5192 -265.951 -202.127 GPRESSURE: 508200 -8.00283 -118.897 -26.0092 -120.043 246.796 -216.734 71.1437 -302.364 -220.685 PRESSAVG: 508200 -22.2389 -30.9134 -10.7056 -30.9135 56.8124 21.0883 -10.7056 21.0883 -20.1128 GPRESSAVG: 508200 -19.9366 -30.6122 -10.3381 -29.6561 55.0532 20.457 -10.9014 20.5666 -20.1625 TIMING: 508200 CPU: 1600.39, 0.00313659/step Wall: 1600.39, 0.00313659/step, 3.91359 hours remaining, 234.503906 MB of memory in use. ENERGY: 508200 4011.3756 20323.0102 14519.1433 261.2858 -203291.2816 2355.9531 0.0000 0.0000 51880.9202 -109939.5933 298.1604 -161820.5135 -109573.5780 298.3324 -24.4287 6.0363 760856.4986 4.8203 4.9847 LDB: ============= START OF LOAD BALANCING ============== 1612.79 LDB: ============== END OF LOAD BALANCING =============== 1612.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1612.79 LDB: ============= START OF LOAD BALANCING ============== 1613.1 LDB: Largest compute 7048 load 0.031769 is 16.2% of average load 0.195723 LDB: Average compute 0.004392 is 2.2% of average load 0.195723 LDB: TIME 1613.1 LOAD: AVG 0.195723 MAX 0.217841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.566 MB LDB: TIME 1613.1 LOAD: AVG 0.195723 MAX 0.217841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.77 MB LDB: TIME 1613.11 LOAD: AVG 0.195723 MAX 0.217841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.77 MB LDB: ============== END OF LOAD BALANCING =============== 1613.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1613.11 PRESSURE: 508400 -130.394 -254.894 -186.737 -254.894 -130.915 33.9211 -186.737 33.9225 -125.698 GPRESSURE: 508400 -144.929 -179.594 -174.056 -286.151 -44.0807 -28.4459 -262.927 40.4124 -101.341 PRESSAVG: 508400 -46.4381 -13.2273 -57.4484 -13.2273 21.3623 -26.7742 -57.4485 -26.7742 7.23118 GPRESSAVG: 508400 -47.9667 -12.8368 -56.6057 -13.505 23.716 -26.7728 -57.6423 -26.618 6.68617 TIMING: 508400 CPU: 1601.03, 0.00320726/step Wall: 1601.03, 0.00320726/step, 4.00159 hours remaining, 232.542969 MB of memory in use. ENERGY: 508400 4014.8582 20579.1919 14490.0371 240.0692 -203691.0147 2619.5160 0.0000 0.0000 51748.5667 -109998.7756 297.3997 -161747.3423 -109651.3852 298.1374 -129.0026 -96.7833 761065.5027 -5.9482 -5.8548 PRESSURE: 508600 -265.946 38.2727 -219.092 38.2728 -97.3943 -128.907 -219.093 -128.907 -125.165 GPRESSURE: 508600 -104.343 67.4951 -192.381 6.9601 -201.723 -126.194 -299.917 27.4088 -103.49 PRESSAVG: 508600 -36.1898 0.448608 -20.8152 0.44861 47.2396 4.54767 -20.8153 4.54763 3.76641 GPRESSAVG: 508600 -34.6959 0.685346 -19.7919 -0.733863 45.905 4.92664 -21.4402 4.77803 3.30144 TIMING: 508600 CPU: 1601.66, 0.00313567/step Wall: 1601.66, 0.00313567/step, 3.91209 hours remaining, 232.542969 MB of memory in use. ENERGY: 508600 3954.9484 20524.9043 14545.2849 252.0175 -203259.6250 2286.7440 0.0000 0.0000 51906.9982 -109788.7278 298.3102 -161695.7260 -109421.5556 298.6376 -162.8350 -136.5186 762696.9168 4.9387 4.8368 PRESSURE: 508800 -121.208 65.7194 115.686 65.7192 23.2758 -17.9285 115.686 -17.9291 383.352 GPRESSURE: 508800 -115.078 40.3605 61.3438 63.5308 111.092 47.8463 42.8722 -214.6 352.044 PRESSAVG: 508800 -28.6623 -76.753 -13.5242 -76.7531 78.1192 -29.7272 -13.5243 -29.7272 0.530341 GPRESSAVG: 508800 -28.8257 -77.148 -16.0727 -76.3128 79.562 -29.3273 -12.5408 -32.7217 -0.471001 TIMING: 508800 CPU: 1602.28, 0.00312092/step Wall: 1602.28, 0.00312092/step, 3.89352 hours remaining, 232.707031 MB of memory in use. ENERGY: 508800 3979.0365 20368.3342 14461.5758 248.6120 -203801.9127 2503.7146 0.0000 0.0000 52221.5168 -110019.1230 300.1178 -162240.6397 -109667.0734 298.2577 95.1400 116.0193 758768.3171 16.6624 16.7551 PRESSURE: 509000 -242.343 -104.64 125.342 -104.64 94.2145 -53.4861 125.342 -53.4856 -172.762 GPRESSURE: 509000 -244.784 -29.7199 0.0711887 -123.569 76.8979 -66.5256 56.017 -17.6418 -75.9237 PRESSAVG: 509000 51.8853 1.01646 10.6219 1.0164 -2.13203 -17.439 10.6219 -17.439 8.80851 GPRESSAVG: 509000 51.1319 1.3301 11.3479 1.43653 -3.71276 -18.1117 7.72098 -16.3334 10.906 TIMING: 509000 CPU: 1602.91, 0.00312797/step Wall: 1602.91, 0.00312796/step, 3.90214 hours remaining, 232.949219 MB of memory in use. ENERGY: 509000 3997.9613 20499.4617 14417.3459 248.0091 -203707.8620 2564.3359 0.0000 0.0000 51822.6058 -110158.1422 297.8252 -161980.7480 -109799.4439 298.1569 -106.9633 -81.2698 760712.0256 19.5206 19.4417 PRESSURE: 509200 84.609 112.466 -157.548 112.465 72.3319 272.535 -157.548 272.535 -67.4992 GPRESSURE: 509200 178.836 77.386 -74.4505 128.191 135.854 236.71 -213.424 250.401 -115.53 PRESSAVG: 509200 -52.4599 0.128373 -16.468 0.128335 50.4129 9.83286 -16.468 9.83289 10.8743 GPRESSAVG: 509200 -52.3635 1.89462 -15.8447 -1.49548 51.2119 10.2239 -15.0196 10.682 10.6115 TIMING: 509200 CPU: 1603.53, 0.00311271/step Wall: 1603.53, 0.00311272/step, 3.88294 hours remaining, 232.949219 MB of memory in use. ENERGY: 509200 3980.4213 20358.8481 14394.0205 251.9885 -204040.2868 2804.3650 0.0000 0.0000 52109.1936 -110141.4498 299.4723 -162250.6434 -109789.7096 298.0810 29.8139 66.3867 760512.9833 2.9424 3.1533 PRESSURE: 509400 -200.786 153.806 -189.112 153.806 -374.993 -23.0097 -189.112 -23.0086 -213.86 GPRESSURE: 509400 -145.095 244.976 -202.83 12.8135 -368.88 18.3003 -245.333 -155.63 -180.284 PRESSAVG: 509400 -15.0044 -20.1737 22.999 -20.1738 50.8007 -14.8223 22.999 -14.8223 -4.27689 GPRESSAVG: 509400 -16.0555 -21.215 22.1969 -18.9488 51.1564 -15.2038 23.5569 -14.527 -4.0094 TIMING: 509400 CPU: 1604.15, 0.00312807/step Wall: 1604.15, 0.00312807/step, 3.90193 hours remaining, 232.949219 MB of memory in use. ENERGY: 509400 3964.1627 20532.3052 14435.8553 241.1501 -203947.9438 2724.0308 0.0000 0.0000 51707.2218 -110343.2179 297.1621 -162050.4397 -109976.1655 298.2857 -263.2130 -231.4197 760576.4376 10.5065 10.3638 PRESSURE: 509600 273.191 20.9968 -88.5957 20.9961 23.3999 21.062 -88.5961 21.0631 134.24 GPRESSURE: 509600 296.85 -98.5941 -30.6796 -28.3679 142.013 56.533 -102.914 -16.9433 69.2243 PRESSAVG: 509600 66.8403 -29.0806 8.22058 -29.0806 -60.5328 -41.8641 8.22059 -41.864 3.98601 GPRESSAVG: 509600 67.3014 -29.5459 9.47998 -29.7052 -60.4867 -42.1602 7.68492 -42.6412 3.54944 TIMING: 509600 CPU: 1604.78, 0.00313902/step Wall: 1604.78, 0.00313902/step, 3.9154 hours remaining, 232.949219 MB of memory in use. ENERGY: 509600 3917.4695 20522.4303 14436.5402 248.6257 -203976.9235 2781.4299 0.0000 0.0000 51845.8035 -110224.6243 297.9585 -162070.4278 -109855.5043 297.8895 143.6102 169.3625 759104.7334 3.4312 3.4547 PRESSURE: 509800 319.663 145.347 113.257 145.347 27.7285 249.878 113.257 249.877 -156.407 GPRESSURE: 509800 276.032 325.159 104.161 258.236 69.1176 193.609 183.603 185.904 -58.2696 PRESSAVG: 509800 73.1547 19.1814 -4.74355 19.1814 -98.1298 15.3727 -4.74356 15.3726 11.5098 GPRESSAVG: 509800 74.0519 21.1588 -7.5167 18.7002 -98.6492 15.5862 -4.55249 15.4443 10.6431 TIMING: 509800 CPU: 1605.41, 0.00314312/step Wall: 1605.41, 0.00314312/step, 3.92035 hours remaining, 232.949219 MB of memory in use. ENERGY: 509800 3988.9357 20577.6857 14420.8001 241.9240 -203665.2838 2703.0684 0.0000 0.0000 51608.1979 -110124.6720 296.5930 -161732.8698 -109771.1324 298.0360 63.6615 95.6266 759695.9106 -4.4884 -4.6514 PRESSURE: 510000 -344.421 -142.871 29.8767 -142.87 -94.8925 50.1658 29.8763 50.1654 -290.852 GPRESSURE: 510000 -319.666 -61.9023 -42.0905 -139.543 -108.688 62.8287 16.5025 -21.2444 -244.761 PRESSAVG: 510000 4.54412 13.9168 -49.3027 13.9168 13.0197 65.4422 -49.3026 65.4422 11.3647 GPRESSAVG: 510000 2.08804 12.369 -47.9251 14.4565 14.1659 66.9314 -49.7208 64.7561 12.7057 TIMING: 510000 CPU: 1606.04, 0.00313563/step Wall: 1606.04, 0.00313563/step, 3.91083 hours remaining, 232.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 510000 4013.5371 20538.3547 14502.8699 246.8262 -203631.7367 2538.9126 0.0000 0.0000 51771.1205 -110020.1158 297.5293 -161791.2363 -109666.4458 298.7456 -243.3887 -224.3715 760459.1370 9.6428 9.6532 PRESSURE: 510200 31.2901 -39.2759 -124.206 -39.2759 -445.791 -73.088 -124.207 -73.0873 -177.537 GPRESSURE: 510200 11.0358 78.2486 -91.3433 -8.87025 -419.146 7.55495 43.0646 -80.661 -97.2751 PRESSAVG: 510200 -65.2737 -7.97234 11.9317 -7.97233 25.9459 30.1542 11.9317 30.1542 -13.7891 GPRESSAVG: 510200 -64.0979 -7.00215 12.6779 -7.90619 24.5155 28.816 10.8595 31.3163 -13.9573 TIMING: 510200 CPU: 1606.66, 0.00311529/step Wall: 1606.66, 0.00311529/step, 3.88529 hours remaining, 232.949219 MB of memory in use. ENERGY: 510200 4007.2682 20418.1129 14542.3439 241.7214 -203653.2422 2574.8340 0.0000 0.0000 51887.2331 -109981.7286 298.1966 -161868.9617 -109617.5338 298.1204 -197.3461 -168.4617 761565.4318 -17.7056 -17.8466 PRESSURE: 510400 281.593 56.2865 134.289 56.2871 -19.4808 -39.429 134.289 -39.4292 -205.991 GPRESSURE: 510400 262.592 -35.4449 192.743 -20.8671 35.5578 78.5625 128.541 -69.5839 -134.821 PRESSAVG: 510400 -17.1905 -80.5624 -7.52009 -80.5623 -5.46576 39.3352 -7.52011 39.3352 -18.5129 GPRESSAVG: 510400 -18.0819 -84.7629 -10.0173 -79.8457 -3.43993 39.8015 -5.19465 38.0387 -19.4848 TIMING: 510400 CPU: 1607.28, 0.00310797/step Wall: 1607.28, 0.00310797/step, 3.87598 hours remaining, 232.949219 MB of memory in use. ENERGY: 510400 4044.3333 20394.6897 14377.6541 208.2397 -203679.4750 2586.3520 0.0000 0.0000 52242.0725 -109826.1338 300.2359 -162068.2063 -109449.5720 298.8414 18.7071 54.4428 760910.0678 -13.7231 -13.6689 PRESSURE: 510600 -182.886 287.579 -267.476 287.579 -160.213 70.7127 -267.476 70.7121 220.716 GPRESSURE: 510600 -87.9407 261.922 -160.145 215.943 -174.309 107.255 -258.231 48.1298 226.832 PRESSAVG: 510600 -12.5101 15.0169 -16.5441 15.0168 0.658734 11.5646 -16.5441 11.5646 0.599871 GPRESSAVG: 510600 -10.7578 18.2702 -14.7732 12.4181 -1.42036 11.1514 -19.4862 12.0957 0.663702 TIMING: 510600 CPU: 1607.91, 0.00312373/step Wall: 1607.91, 0.00312373/step, 3.89547 hours remaining, 232.949219 MB of memory in use. ENERGY: 510600 4004.0179 20455.7799 14418.1984 262.8974 -204108.9337 2899.8746 0.0000 0.0000 52004.7146 -110063.4508 298.8718 -162068.1654 -109703.4250 299.1424 -40.7944 -11.8058 759962.9811 -3.7505 -3.8381 PRESSURE: 510800 422.057 -40.3602 -237.925 -40.3594 -107.15 36.7451 -237.925 36.7459 169.059 GPRESSURE: 510800 437.182 42.0366 -235.365 -97.6289 -128.151 53.0281 -180.523 -51.2406 276.817 PRESSAVG: 510800 60.8032 0.73445 -38.2004 0.734451 4.10994 12.7329 -38.2003 12.7328 9.88161 GPRESSAVG: 510800 59.6741 0.696283 -38.1086 2.88739 5.76452 12.3007 -38.0472 14.134 9.40045 TIMING: 510800 CPU: 1608.53, 0.00313626/step Wall: 1608.53, 0.00313626/step, 3.91091 hours remaining, 232.949219 MB of memory in use. ENERGY: 510800 4028.5035 20376.7747 14477.1153 260.7783 -203809.9149 2744.6996 0.0000 0.0000 51762.6875 -110159.3560 297.4809 -161922.0435 -109810.0487 298.2784 161.3219 195.2828 760331.8822 24.9316 24.9463 PRESSURE: 511000 -184.108 -17.4868 65.3688 -17.4862 -264.293 2.40445 65.369 2.40263 2.62435 GPRESSURE: 511000 -209.499 -15.9754 145.955 55.0166 -112.107 -9.79078 18.1031 -56.3903 -52.6037 PRESSAVG: 511000 26.3575 -3.80903 -28.4483 -3.80898 3.88282 60.4658 -28.4483 60.4657 16.0344 GPRESSAVG: 511000 26.6845 -3.85497 -28.4948 -4.46963 3.53968 62.5381 -27.4025 57.297 15.9366 TIMING: 511000 CPU: 1609.16, 0.00313622/step Wall: 1609.16, 0.00313622/step, 3.91069 hours remaining, 232.949219 MB of memory in use. ENERGY: 511000 4010.8860 20550.7548 14495.9924 254.7807 -203638.0271 2303.2715 0.0000 0.0000 51914.9204 -110107.4213 298.3558 -162022.3417 -109754.2490 297.7774 -148.5922 -124.7365 759824.3744 15.4249 15.3869 PRESSURE: 511200 99.1262 19.8061 -158.559 19.8065 166.765 -40.0383 -158.559 -40.0377 22.2733 GPRESSURE: 511200 90.0025 21.4428 -24.1808 62.0648 234.286 -112.696 -202.194 60.3251 51.1357 PRESSAVG: 511200 26.7712 28.9834 5.05288 28.9835 7.04457 50.89 5.05289 50.89 -6.12871 GPRESSAVG: 511200 25.0354 26.1186 5.937 30.5739 8.99582 49.0154 5.14728 52.354 -6.03016 TIMING: 511200 CPU: 1609.79, 0.00315158/step Wall: 1609.79, 0.00315158/step, 3.92967 hours remaining, 232.949219 MB of memory in use. ENERGY: 511200 3971.4435 20556.9641 14458.1836 260.1964 -204066.4424 2863.0186 0.0000 0.0000 51966.2507 -109990.3855 298.6508 -161956.6363 -109627.5679 298.4327 96.0550 125.1415 759223.4248 9.2290 9.3337 PRESSURE: 511400 76.1023 -85.1781 151.21 -85.1785 32.3455 61.6974 151.211 61.6977 -264.566 GPRESSURE: 511400 94.0837 -128.939 54.8856 -64.7464 35.3265 103.102 87.6452 56.6402 -190.788 PRESSAVG: 511400 33.516 -52.8522 -22.7015 -52.8521 -57.6025 23.4372 -22.7014 23.4372 4.58949 GPRESSAVG: 511400 35.0364 -53.9786 -24.5065 -52.3092 -59.3935 25.107 -21.9255 24.4816 5.06537 TIMING: 511400 CPU: 1610.43, 0.003166/step Wall: 1610.43, 0.00316601/step, 3.94748 hours remaining, 232.949219 MB of memory in use. ENERGY: 511400 3984.9279 20510.6611 14350.6087 229.1454 -203979.7181 2636.8248 0.0000 0.0000 52090.1198 -110177.4304 299.3626 -162267.5502 -109810.6184 298.5194 -52.0394 -20.4594 759591.1096 -6.4990 -6.4306 PRESSURE: 511600 -194.668 -11.677 8.56033 -11.6775 -232.062 103.597 8.56033 103.596 -235.846 GPRESSURE: 511600 -151.804 77.0812 -63.676 -65.0762 -214.292 115.379 -83.4135 4.78251 -225.901 PRESSAVG: 511600 5.58874 -26.064 16.0959 -26.064 4.45806 25.2159 16.0958 25.2158 -2.54111 GPRESSAVG: 511600 5.69987 -22.9833 16.1456 -27.9248 4.33647 24.1452 16.4815 23.5975 -3.44229 TIMING: 511600 CPU: 1611.06, 0.00317463/step Wall: 1611.06, 0.00317463/step, 3.95806 hours remaining, 232.949219 MB of memory in use. ENERGY: 511600 4009.5434 20409.1673 14401.8054 233.2914 -203784.4827 2365.6362 0.0000 0.0000 52160.5149 -110204.5242 299.7672 -162365.0390 -109834.0575 298.0541 -220.8586 -197.3323 761698.4053 2.5019 2.1980 PRESSURE: 511800 -238.51 159.254 -150.05 159.255 -206.66 -205.327 -150.052 -205.328 398.931 GPRESSURE: 511800 -143.776 176.775 -154.476 68.5022 -155.224 -313.633 -159.968 -150.78 340.638 PRESSAVG: 511800 7.95907 -1.42183 -43.9157 -1.42182 -17.3745 -24.0016 -43.9157 -24.0015 -6.66574 GPRESSAVG: 511800 7.82586 -1.65074 -43.5161 -1.13086 -17.4015 -24.0094 -45.4455 -22.6053 -6.60079 TIMING: 511800 CPU: 1611.69, 0.00312761/step Wall: 1611.69, 0.00312761/step, 3.89926 hours remaining, 232.949219 MB of memory in use. ENERGY: 511800 3989.5882 20583.6467 14447.3081 214.1879 -203675.7568 2549.2236 0.0000 0.0000 51908.9637 -109982.8387 298.3215 -161891.8024 -109612.2769 298.8741 -15.4131 13.8793 761162.9983 -5.3604 -5.3921 PRESSURE: 512000 -243.988 -102.142 -86.7775 -102.141 86.2917 143.105 -86.778 143.104 -516.64 GPRESSURE: 512000 -222.982 -111.088 -16.74 -77.0891 62.6943 243.373 -183.187 -33.1844 -431.711 PRESSAVG: 512000 47.7896 52.9021 32.4877 52.9021 -5.3441 -38.0271 32.4877 -38.0271 -3.66471 GPRESSAVG: 512000 47.3486 52.6363 33.6029 53.1175 -5.22587 -39.908 33.1396 -37.5124 -3.49503 TIMING: 512000 CPU: 1612.31, 0.00311952/step Wall: 1612.31, 0.00311952/step, 3.88901 hours remaining, 232.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 512000 3989.1598 20287.7263 14413.8312 262.8425 -203288.6048 2407.8700 0.0000 0.0000 52091.2124 -109835.9626 299.3689 -161927.1749 -109463.0897 298.6646 -224.7789 -197.3329 762077.6243 12.9269 12.8759 PRESSURE: 512200 -115.849 -69.9817 -49.0495 -69.9823 -353.674 -138.87 -49.05 -138.87 455.071 GPRESSURE: 512200 6.49754 -21.0929 -39.7883 -22.3568 -340.766 -147.876 -16.1051 -73.3294 385.931 PRESSAVG: 512200 37.1681 -16.0562 -8.30172 -16.0561 -12.1147 16.7834 -8.30176 16.7833 -3.47976 GPRESSAVG: 512200 38.9286 -16.4901 -7.26408 -16.5072 -13.9583 18.0666 -8.02125 18.1957 -3.53095 TIMING: 512200 CPU: 1612.94, 0.00312919/step Wall: 1612.94, 0.00312919/step, 3.90088 hours remaining, 232.949219 MB of memory in use. ENERGY: 512200 3982.7590 20409.0216 14447.8000 226.9376 -203407.7811 2554.6166 0.0000 0.0000 52131.1609 -109655.4854 299.5985 -161786.6464 -109293.2574 298.8190 -4.8173 17.2207 760876.2891 7.1912 7.1465 LDB: ============= START OF LOAD BALANCING ============== 1625.33 LDB: ============== END OF LOAD BALANCING =============== 1625.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1625.33 LDB: ============= START OF LOAD BALANCING ============== 1625.65 LDB: Largest compute 7048 load 0.032350 is 16.5% of average load 0.195742 LDB: Average compute 0.004365 is 2.2% of average load 0.195742 LDB: TIME 1625.65 LOAD: AVG 0.195742 MAX 0.21977 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.648 MB LDB: TIME 1625.65 LOAD: AVG 0.195742 MAX 0.21977 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.648 MB LDB: TIME 1625.65 LOAD: AVG 0.195742 MAX 0.21375 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.648 MB LDB: ============== END OF LOAD BALANCING =============== 1625.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1625.66 PRESSURE: 512400 55.0367 -269.269 149.994 -269.269 -272.568 23.1264 149.994 23.1274 -197.422 GPRESSURE: 512400 135.976 -328.721 148.825 -235.276 -304.512 83.5637 155.794 101.523 -158.475 PRESSAVG: 512400 50.9843 -11.0546 19.975 -11.0546 -44.9871 82.3127 19.975 82.3128 9.53733 GPRESSAVG: 512400 49.7761 -9.13064 20.2426 -12.0369 -43.9271 82.6746 19.5807 81.5437 9.63787 TIMING: 512400 CPU: 1613.58, 0.00321304/step Wall: 1613.58, 0.00321304/step, 4.00523 hours remaining, 233.417969 MB of memory in use. ENERGY: 512400 4004.4954 20521.4677 14425.0113 243.0108 -203344.3870 2333.7753 0.0000 0.0000 51964.2262 -109852.4002 298.6391 -161816.6264 -109486.8651 298.8751 -138.3178 -109.0037 760758.2966 5.1782 5.1623 PRESSURE: 512600 65.867 124.72 81.6261 124.719 103.98 -247.817 81.6262 -247.816 -26.0793 GPRESSURE: 512600 135.051 139.204 73.9799 113.976 95.1018 -344.277 102.284 -220.125 14.6897 PRESSAVG: 512600 11.3764 14.2471 -62.5353 14.2472 -24.4451 12.0344 -62.5353 12.0344 5.70134 GPRESSAVG: 512600 11.7048 12.0497 -64.4734 17.1045 -23.6311 10.2615 -61.9466 9.6487 4.89889 TIMING: 512600 CPU: 1614.2, 0.0031331/step Wall: 1614.2, 0.0031331/step, 3.90541 hours remaining, 233.726562 MB of memory in use. ENERGY: 512600 3941.8427 20571.4124 14407.9753 226.4305 -203172.9322 2629.6890 0.0000 0.0000 51829.6049 -109565.9773 297.8655 -161395.5823 -109216.6530 299.0181 47.9227 81.6142 762630.4447 -2.4558 -2.3425 PRESSURE: 512800 207.099 91.89 221.496 91.8897 137.263 186.657 221.495 186.655 262.804 GPRESSURE: 512800 169.961 4.7571 257.12 115.679 232.807 170.588 204.23 163.073 286.427 PRESSAVG: 512800 70.1549 20.7801 -19.8327 20.7801 -52.8285 35.4651 -19.8327 35.4651 18.5639 GPRESSAVG: 512800 70.7894 20.3743 -17.984 18.9589 -53.9963 36.6269 -22.175 36.4576 18.6857 TIMING: 512800 CPU: 1614.84, 0.00317477/step Wall: 1614.84, 0.00317477/step, 3.95717 hours remaining, 233.726562 MB of memory in use. ENERGY: 512800 3944.0168 20550.1649 14438.0158 243.5432 -203187.7551 2576.1566 0.0000 0.0000 52107.1194 -109328.7383 299.4603 -161435.8578 -108964.1792 299.4797 202.3886 229.7318 761635.3933 11.9634 11.8263 PRESSURE: 513000 24.2893 130.832 -183.145 130.831 -90.0007 -207.048 -183.145 -207.047 -85.0875 GPRESSURE: 513000 -25.5731 -2.14129 -236.36 202.25 -13.2147 -215.186 -269.73 -85.4874 -28.0522 PRESSAVG: 513000 14.8424 26.659 15.9108 26.659 -37.2379 19.568 15.9108 19.568 7.44295 GPRESSAVG: 513000 13.3779 27.4764 15.0047 24.7888 -36.1054 20.6734 16.3049 22.5833 7.89817 TIMING: 513000 CPU: 1615.47, 0.00315872/step Wall: 1615.47, 0.00315872/step, 3.93699 hours remaining, 233.726562 MB of memory in use. ENERGY: 513000 3960.2383 20562.6903 14377.2088 260.8581 -203298.8022 2616.2313 0.0000 0.0000 52092.8754 -109428.6999 299.3785 -161521.5753 -109067.1791 299.3240 -50.2663 -22.2800 761733.5647 -4.9842 -4.9431 PRESSURE: 513200 394.393 -289.212 -238.355 -289.212 210.691 15.1287 -238.355 15.1282 417.686 GPRESSURE: 513200 468.537 -202.508 -204.346 -275.185 223.06 -42.9135 -116.902 168.574 399.497 PRESSAVG: 513200 16.6446 19.9035 -46.3415 19.9035 4.38795 -32.5634 -46.3415 -32.5633 14.0953 GPRESSAVG: 513200 17.6287 21.6135 -47.3773 20.9832 4.39313 -33.0316 -44.9138 -34.3009 13.0504 TIMING: 513200 CPU: 1616.1, 0.00315018/step Wall: 1616.1, 0.00315018/step, 3.92618 hours remaining, 233.726562 MB of memory in use. ENERGY: 513200 4043.9028 20617.0998 14396.8908 246.3225 -203423.1597 2584.6090 0.0000 0.0000 51958.7547 -109575.5800 298.6077 -161534.3348 -109211.2013 299.3063 340.9232 363.6981 760556.1023 11.7093 11.6908 PRESSURE: 513400 -130.843 130.549 127.454 130.549 -126.008 41.2114 127.454 41.2115 74.0326 GPRESSURE: 513400 19.1162 69.1653 157.256 187.373 -59.5841 62.2817 78.6098 -121.067 -51.2918 PRESSAVG: 513400 -27.8018 52.3344 74.2129 52.3344 47.4422 -46.4801 74.2129 -46.4801 -0.724455 GPRESSAVG: 513400 -28.0703 51.8329 75.332 52.8585 47.1057 -46.9881 72.8016 -48.0219 0.368751 TIMING: 513400 CPU: 1616.73, 0.00312564/step Wall: 1616.73, 0.00312564/step, 3.89541 hours remaining, 233.726562 MB of memory in use. ENERGY: 513400 4082.3891 20466.6380 14412.2729 270.3679 -203759.3208 2648.8014 0.0000 0.0000 52086.9314 -109791.9202 299.3443 -161878.8516 -109418.8598 299.0384 -60.9395 -30.5866 760836.9182 6.3053 6.4680 PRESSURE: 513600 -304.111 -21.1676 32.8199 -21.1677 81.8768 -14.1999 32.821 -14.2 356.602 GPRESSURE: 513600 -175.668 -44.5726 65.2582 -17.755 68.3351 33.1765 21.4475 -145.665 328.128 PRESSAVG: 513600 -22.7829 15.3938 22.2042 15.3938 1.89477 6.9647 22.2042 6.9647 14.7884 GPRESSAVG: 513600 -22.8143 15.0761 22.2743 14.1577 2.7543 7.11435 23.4784 7.11215 14.242 TIMING: 513600 CPU: 1617.36, 0.00315221/step Wall: 1617.36, 0.00315221/step, 3.92835 hours remaining, 233.726562 MB of memory in use. ENERGY: 513600 3951.3928 20402.5276 14439.6581 235.5394 -203709.4974 2624.8316 0.0000 0.0000 52346.5778 -109708.9701 300.8365 -162055.5479 -109347.7233 298.6800 44.7893 73.5983 760307.2618 -2.0332 -1.9393 PRESSURE: 513800 -87.0112 -226.037 -81.2757 -226.037 19.6253 11.306 -81.2756 11.3053 101.087 GPRESSURE: 513800 -133.277 -112.067 -13.2877 -274.629 153.225 21.6428 -34.4254 160.913 111.687 PRESSAVG: 513800 -20.4968 -5.58045 6.20791 -5.58043 -14.6051 41.9187 6.20784 41.9187 12.1264 GPRESSAVG: 513800 -21.4419 -6.7734 6.25055 -5.56834 -14.5787 41.9338 6.99363 42.9129 13.6742 TIMING: 513800 CPU: 1617.98, 0.00314035/step Wall: 1617.98, 0.00314035/step, 3.9134 hours remaining, 233.726562 MB of memory in use. ENERGY: 513800 3992.0467 20495.4121 14441.0086 253.8584 -203469.6559 2720.3191 0.0000 0.0000 51868.1514 -109698.8597 298.0870 -161567.0111 -109346.1493 298.9855 11.2336 43.8784 760372.3402 -7.6585 -7.4488 PRESSURE: 514000 84.8033 -37.4106 83.8892 -37.4107 -356.697 -47.6687 83.8898 -47.6689 -267.749 GPRESSURE: 514000 155.076 7.7655 119.308 58.6544 -351.772 -35.2872 -57.4383 -45.7145 -264.85 PRESSAVG: 514000 -19.8476 9.1091 -9.47813 9.10915 48.1631 14.2887 -9.47815 14.2887 6.22242 GPRESSAVG: 514000 -18.3823 8.41575 -9.71814 9.64985 48.2501 13.5982 -10.0187 15.9163 4.606 TIMING: 514000 CPU: 1618.61, 0.00313779/step Wall: 1618.61, 0.00313779/step, 3.91004 hours remaining, 233.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 514000 4069.8404 20478.1652 14474.5527 267.7251 -203455.1846 2590.9258 0.0000 0.0000 52116.2524 -109457.7230 299.5128 -161573.9754 -109100.9492 299.2541 -179.8810 -153.8488 760902.4756 11.5126 11.4913 PRESSURE: 514200 -271.093 -74.7945 162.346 -74.7947 -124.853 126.7 162.346 126.7 -41.9696 GPRESSURE: 514200 -199.912 -26.4636 225.198 -2.41212 -163.675 102.267 119.035 238.413 -7.23228 PRESSAVG: 514200 -38.4974 -29.4257 20.3912 -29.4257 17.7657 110.731 20.3912 110.731 9.47946 GPRESSAVG: 514200 -38.8982 -28.4431 21.5001 -29.1487 16.396 110.676 20.5899 107.848 10.6215 TIMING: 514200 CPU: 1619.24, 0.00314988/step Wall: 1619.24, 0.00314988/step, 3.92492 hours remaining, 233.726562 MB of memory in use. ENERGY: 514200 4051.4282 20344.7958 14466.8437 257.6633 -203276.5525 2556.8380 0.0000 0.0000 52250.1173 -109348.8661 300.2821 -161598.9834 -108986.5405 299.3529 -145.9718 -123.6065 760710.9305 -3.7507 -3.9602 PRESSURE: 514400 -263.214 -243.203 -71.763 -243.203 -5.70978 104.328 -71.7628 104.328 -367.946 GPRESSURE: 514400 -164.988 -269.82 -70.4786 -275.374 -23.5027 34.5339 -141.771 298.195 -384.278 PRESSAVG: 514400 -50.6573 -36.73 28.8612 -36.73 60.932 15.0058 28.8612 15.0057 -18.5263 GPRESSAVG: 514400 -50.2437 -37.5976 28.8902 -37.0218 60.8653 13.9831 27.5001 16.3019 -18.6921 TIMING: 514400 CPU: 1619.87, 0.00313877/step Wall: 1619.87, 0.00313877/step, 3.91091 hours remaining, 233.726562 MB of memory in use. ENERGY: 514400 4031.9747 20452.4538 14456.1706 247.0016 -203039.1469 2224.1352 0.0000 0.0000 52043.4398 -109583.9711 299.0944 -161627.4109 -109210.2848 299.4285 -212.2897 -190.9228 760801.3680 -2.7505 -2.6902 PRESSURE: 514600 -78.3996 -152.064 -65.9704 -152.064 80.645 -81.6334 -65.9713 -81.6335 110.063 GPRESSURE: 514600 10.4001 -98.4797 -119.142 -205.185 0.44086 -82.6953 2.04041 -66.7854 191.761 PRESSAVG: 514600 -24.2433 -20.3516 8.95625 -20.3516 26.2056 21.7079 8.95628 21.708 -5.78357 GPRESSAVG: 514600 -24.7147 -21.1631 7.78494 -20.3766 26.8503 23.2466 10.4765 21.043 -5.52729 TIMING: 514600 CPU: 1620.5, 0.00314621/step Wall: 1620.5, 0.00314621/step, 3.92001 hours remaining, 233.714844 MB of memory in use. ENERGY: 514600 3940.3519 20569.0475 14451.3634 243.3960 -204147.7480 2917.4249 0.0000 0.0000 52087.6096 -109938.5547 299.3482 -162026.1643 -109579.6359 298.9624 37.4362 67.5340 760966.0637 -1.2738 -1.1306 PRESSURE: 514800 -83.7183 -26.1832 -117.084 -26.1842 37.9117 -182.75 -117.085 -182.75 412.31 GPRESSURE: 514800 -9.43337 114.88 -22.9894 -14.9927 82.5944 -83.3818 -89.4339 -181.043 376.836 PRESSAVG: 514800 3.08291 -16.3428 -19.1924 -16.3428 -21.9162 -6.71003 -19.1924 -6.71004 -6.86879 GPRESSAVG: 514800 2.63991 -13.8579 -20.3759 -16.6372 -21.9894 -6.97556 -17.0193 -5.01341 -5.86886 TIMING: 514800 CPU: 1621.13, 0.00313922/step Wall: 1621.13, 0.00313922/step, 3.91111 hours remaining, 233.714844 MB of memory in use. ENERGY: 514800 3972.3816 20402.8193 14392.8891 265.7869 -203201.7303 2353.1063 0.0000 0.0000 52109.1924 -109705.5546 299.4722 -161814.7470 -109339.1146 298.7794 122.1679 149.9992 762333.5934 -8.5673 -8.4061 PRESSURE: 515000 251.043 -298.906 222.995 -298.904 -245.102 -35.6651 222.995 -35.6646 5.55916 GPRESSURE: 515000 294.639 -293.64 267.093 -152.678 -169.162 -107.202 116.146 28.4837 -26.0833 PRESSAVG: 515000 -14.5049 -63.4781 56.7644 -63.478 47.5688 -21.6039 56.7644 -21.6039 -2.01107 GPRESSAVG: 515000 -14.2772 -64.1286 59.6595 -61.9506 47.7743 -21.1108 52.9153 -22.7081 -2.85916 TIMING: 515000 CPU: 1621.76, 0.00315411/step Wall: 1621.76, 0.00315411/step, 3.9295 hours remaining, 233.726562 MB of memory in use. ENERGY: 515000 3925.5239 20588.3661 14403.9811 257.7284 -203781.6857 2835.9425 0.0000 0.0000 52139.3929 -109630.7507 299.6458 -161770.1436 -109259.7060 299.8445 3.8334 33.1313 760152.3319 10.3509 10.2126 PRESSURE: 515200 -183.035 -158.271 -204.266 -158.272 -277.278 -61.1988 -204.265 -61.199 -499.846 GPRESSURE: 515200 -174.744 38.4685 -241.352 -122.308 -234.644 -84.2105 -178.406 -71.2261 -466.465 PRESSAVG: 515200 -16.3061 -15.8538 -0.242843 -15.8538 -27.1437 22.8472 -0.242935 22.8472 27.6895 GPRESSAVG: 515200 -17.2207 -17.2075 -1.19719 -17.8973 -25.3518 22.8966 -0.77593 21.2806 26.7965 TIMING: 515200 CPU: 1622.39, 0.00313529/step Wall: 1622.39, 0.00313529/step, 3.90587 hours remaining, 233.710938 MB of memory in use. ENERGY: 515200 4093.2765 20660.2583 14406.5862 232.4419 -203465.3454 2392.4714 0.0000 0.0000 51930.4176 -109749.8934 298.4448 -161680.3110 -109393.3358 299.2305 -320.0531 -291.9511 762262.8064 -5.2534 -5.2587 PRESSURE: 515400 200.536 -27.9999 227.523 -27.9995 264.063 177.026 227.524 177.026 239.931 GPRESSURE: 515400 239.851 -150.032 224.347 -2.55936 311.61 144.478 124.912 117.334 238.773 PRESSAVG: 515400 -9.4414 -22.1067 54.7653 -22.1066 41.6218 18.7713 54.7653 18.7713 -16.3071 GPRESSAVG: 515400 -7.70801 -24.1179 56.1518 -20.434 39.828 18.5087 55.7229 17.9173 -16.1128 TIMING: 515400 CPU: 1623.01, 0.0031442/step Wall: 1623.01, 0.0031442/step, 3.9168 hours remaining, 233.710938 MB of memory in use. ENERGY: 515400 4003.8706 20556.1475 14431.6601 227.7981 -203455.0046 2641.6956 0.0000 0.0000 52216.8040 -109377.0288 300.0907 -161593.8328 -109011.9967 299.3719 234.8432 263.4111 760008.7674 5.2911 5.3357 PRESSURE: 515600 -225.477 152.778 30.1247 152.778 -88.5777 54.2957 30.1242 54.2966 305.535 GPRESSURE: 515600 -165.697 154.04 42.0832 157.474 -51.4965 65.2261 112.782 -97.8571 291.727 PRESSAVG: 515600 21.1703 -34.5179 13.6444 -34.5179 -25.4024 9.7817 13.6444 9.78168 17.5685 GPRESSAVG: 515600 19.1318 -30.7607 13.6161 -36.3245 -24.3991 10.4268 15.2702 11.4102 18.5539 TIMING: 515600 CPU: 1623.64, 0.00313353/step Wall: 1623.64, 0.00313353/step, 3.90333 hours remaining, 233.710938 MB of memory in use. ENERGY: 515600 3987.5761 20562.5793 14400.4936 240.2890 -203377.5570 2417.2496 0.0000 0.0000 52247.7920 -109521.5774 300.2688 -161769.3695 -109151.9585 299.8993 -2.8397 24.8445 759062.8259 4.4455 4.4289 PRESSURE: 515800 -329.211 -36.9154 -9.43376 -36.9156 -246.216 -259.009 -9.43369 -259.01 -60.6847 GPRESSURE: 515800 -262.915 -69.1252 -6.36955 -42.4912 -199.028 -311.958 -13.9882 -257.558 -95.5398 PRESSAVG: 515800 17.2912 -36.7759 -31.0995 -36.776 -39.4964 19.9015 -31.0995 19.9015 10.1504 GPRESSAVG: 515800 17.1235 -39.3208 -32.8862 -34.6163 -39.3644 18.8779 -30.9941 19.1021 9.71409 TIMING: 515800 CPU: 1624.27, 0.00313459/step Wall: 1624.27, 0.00313459/step, 3.90449 hours remaining, 233.726562 MB of memory in use. ENERGY: 515800 4029.4740 20565.6404 14453.9513 228.4597 -203249.8207 2426.2225 0.0000 0.0000 52187.0600 -109359.0129 299.9198 -161546.0729 -109007.9315 299.7318 -212.0373 -185.8274 760817.2680 -4.0183 -4.1756 PRESSURE: 516000 52.4009 -193.854 196.215 -193.853 -65.0428 135.689 196.215 135.69 -20.8302 GPRESSURE: 516000 33.3152 -78.055 191.607 -130.595 18.9045 263.482 3.60101 86.0689 14.6237 PRESSAVG: 516000 6.95258 -33.5208 0.349666 -33.5208 -11.1725 -29.5806 0.34963 -29.5806 -2.26682 GPRESSAVG: 516000 6.96338 -34.2686 -0.079832 -33.0889 -10.9882 -29.1394 -0.778841 -28.5636 -2.37972 TIMING: 516000 CPU: 1624.89, 0.00313186/step Wall: 1624.89, 0.00313186/step, 3.9009 hours remaining, 233.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 516000 4071.4479 20573.2139 14493.2086 254.3661 -203448.8636 2484.9199 0.0000 0.0000 51867.6145 -109704.0927 298.0839 -161571.7072 -109345.2803 299.8193 -11.1574 22.2811 759977.7415 -2.1623 -2.1348 PRESSURE: 516200 364.695 -41.3663 -0.258453 -41.3658 283.061 120.893 -0.25845 120.893 87.2821 GPRESSURE: 516200 388.583 -30.9843 88.85 -18.1854 396.611 126.707 -48.6699 63.5087 38.3335 PRESSAVG: 516200 -5.91117 -40.8576 55.2609 -40.8576 16.1171 -5.51283 55.2609 -5.51275 18.2652 GPRESSAVG: 516200 -5.3171 -39.9818 56.8964 -43.0007 15.0791 -5.915 55.8872 -2.76724 18.7529 TIMING: 516200 CPU: 1625.52, 0.00314265/step Wall: 1625.52, 0.00314265/step, 3.91417 hours remaining, 233.726562 MB of memory in use. ENERGY: 516200 4003.1779 20571.1204 14359.2544 233.5022 -203680.2294 2762.7858 0.0000 0.0000 52083.8615 -109666.5272 299.3267 -161750.3887 -109306.6413 299.4286 245.0127 274.5092 759358.2807 9.4904 9.5049 LDB: ============= START OF LOAD BALANCING ============== 1637.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1637.92 LDB: =============== DONE WITH MIGRATION ================ 1637.92 LDB: ============= START OF LOAD BALANCING ============== 1638.24 LDB: Largest compute 7075 load 0.031009 is 15.8% of average load 0.195686 LDB: Average compute 0.004364 is 2.2% of average load 0.195686 LDB: TIME 1638.24 LOAD: AVG 0.195686 MAX 0.214375 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.457 MB LDB: TIME 1638.24 LOAD: AVG 0.195686 MAX 0.214375 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.527 MB LDB: TIME 1638.24 LOAD: AVG 0.195686 MAX 0.214375 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.527 MB LDB: ============== END OF LOAD BALANCING =============== 1638.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1638.25 PRESSURE: 516400 97.3429 -4.12214 201.293 -4.12139 -49.4594 1.58899 201.294 1.58877 89.6435 GPRESSURE: 516400 148.804 -12.8311 273.854 -36.4015 25.3924 -27.8648 78.6741 -64.5768 60.6858 PRESSAVG: 516400 13.4051 4.51521 50.5352 4.51513 30.2233 22.1461 50.5353 22.1461 -5.64969 GPRESSAVG: 516400 13.8443 4.44361 50.6006 5.03475 29.28 21.0995 51.0364 18.8925 -5.58648 TIMING: 516400 CPU: 1626.16, 0.00321084/step Wall: 1626.16, 0.00321084/step, 3.99892 hours remaining, 233.929688 MB of memory in use. ENERGY: 516400 4035.8459 20430.7669 14471.2340 215.3371 -203456.4061 2459.5009 0.0000 0.0000 52245.9231 -109597.7983 300.2580 -161843.7214 -109232.5103 299.1234 45.8423 78.2940 760465.0783 12.6596 12.5126 PRESSURE: 516600 -18.0242 83.7094 63.6605 83.7097 -6.33999 -92.3075 63.6597 -92.3065 -99.919 GPRESSURE: 516600 -1.57605 104.182 56.1643 73.2941 65.0347 -100.108 123.539 202.193 -121.292 PRESSAVG: 516600 -15.6856 -23.2299 47.6815 -23.2298 -6.26152 -4.57656 47.6814 -4.57649 -15.8485 GPRESSAVG: 516600 -16.3118 -23.3737 45.8512 -24.7093 -5.79918 -4.53982 46.7608 -3.18297 -16.428 TIMING: 516600 CPU: 1626.79, 0.00312897/step Wall: 1626.79, 0.00312897/step, 3.89678 hours remaining, 233.929688 MB of memory in use. ENERGY: 516600 4083.0914 20610.6929 14408.7837 249.9934 -203910.2514 2964.3598 0.0000 0.0000 52020.9551 -109572.3750 298.9651 -161593.3301 -109211.4590 299.5541 -41.4277 -19.2779 761279.6374 -12.5985 -12.8463 PRESSURE: 516800 -81.9372 -278.644 7.86034 -278.645 349.16 -27.8945 7.85962 -27.8945 74.6977 GPRESSURE: 516800 -3.4737 -319.258 66.1494 -186.773 403.169 72.0093 -45.8374 -110.196 44.4492 PRESSAVG: 516800 -19.2794 -67.8272 10.0962 -67.8272 -2.66656 -17.8788 10.0962 -17.8789 -10.6534 GPRESSAVG: 516800 -19.9387 -67.145 11.1875 -65.3599 -2.11136 -16.393 10.2154 -18.1983 -10.2441 TIMING: 516800 CPU: 1627.42, 0.00315039/step Wall: 1627.42, 0.00315039/step, 3.92329 hours remaining, 233.929688 MB of memory in use. ENERGY: 516800 4039.7238 20803.1133 14432.4524 244.2657 -203793.3415 2781.7537 0.0000 0.0000 51937.1701 -109554.8624 298.4836 -161492.0326 -109192.6113 299.8333 113.9736 148.0483 759313.5458 -10.8665 -10.7647 PRESSURE: 517000 -20.7764 -75.8081 -5.89528 -75.8081 109.055 -164.023 -5.89456 -164.021 -306.15 GPRESSURE: 517000 21.2331 -69.3211 57.9115 -88.401 76.8977 -167.154 -21.4458 -131.831 -201.722 PRESSAVG: 517000 -19.2327 -25.2785 35.5689 -25.2785 9.95363 -34.049 35.569 -34.0489 23.8302 GPRESSAVG: 517000 -19.0458 -24.9511 36.2732 -27.3376 10.0374 -34.3536 34.278 -32.99 24.1848 TIMING: 517000 CPU: 1628.05, 0.00314227/step Wall: 1628.05, 0.00314227/step, 3.913 hours remaining, 233.929688 MB of memory in use. ENERGY: 517000 3964.8010 20578.2683 14463.2512 245.9635 -203257.9588 2415.9989 0.0000 0.0000 52000.4831 -109589.1928 298.8475 -161589.6759 -109228.3809 299.4165 -72.6240 -34.5304 759573.7206 4.8504 5.0588 PRESSURE: 517200 318.19 -13.1731 35.8142 -13.1725 1.9354 6.80994 35.8138 6.80963 -47.6784 GPRESSURE: 517200 290.296 126.691 17.9402 60.8313 85.2346 21.0741 155.257 33.5051 -12.5471 PRESSAVG: 517200 18.7039 -63.7047 52.3549 -63.7048 31.3609 23.2393 52.3549 23.2393 -26.3438 GPRESSAVG: 517200 19.0514 -63.845 52.0763 -61.6444 31.4426 22.2131 52.5601 22.9396 -26.7986 TIMING: 517200 CPU: 1628.68, 0.00316493/step Wall: 1628.68, 0.00316493/step, 3.94104 hours remaining, 233.929688 MB of memory in use. ENERGY: 517200 4009.6407 20518.0663 14463.5261 247.7223 -203724.1552 2732.5114 0.0000 0.0000 52314.7404 -109437.9480 300.6535 -161752.6884 -109069.2321 299.6956 90.8157 120.9945 759313.1335 7.9070 7.8985 PRESSURE: 517400 -197 -70.8604 -155.904 -70.8599 -18.0625 104.567 -155.903 104.566 -114.007 GPRESSURE: 517400 -171.298 -87.5024 -130.973 -102.728 -28.4652 73.8366 -13.7956 90.3538 -54.4484 PRESSAVG: 517400 -19.9019 -40.3028 -25.3532 -40.3028 35.7829 23.5289 -25.3532 23.5289 11.6856 GPRESSAVG: 517400 -19.989 -40.1853 -27.0047 -42.0191 35.256 23.896 -23.1348 22.621 12.3396 TIMING: 517400 CPU: 1629.31, 0.00314284/step Wall: 1629.31, 0.00314284/step, 3.91336 hours remaining, 233.929688 MB of memory in use. ENERGY: 517400 3976.9407 20517.7348 14446.9355 245.3301 -203312.9983 2279.5554 0.0000 0.0000 52119.4953 -109727.0066 299.5315 -161846.5019 -109360.7311 299.9495 -109.6901 -84.7372 757706.1346 9.1888 9.2022 PRESSURE: 517600 110.546 87.5525 -182.211 87.5525 208.001 -78.8389 -182.212 -78.8382 69.4132 GPRESSURE: 517600 98.0941 140.311 -304.025 34.8131 237.09 -122.158 -253.95 -66.9335 131.533 PRESSAVG: 517600 -24.6754 -16.3285 -13.3143 -16.3286 29.8851 31.6278 -13.3144 31.6279 1.43732 GPRESSAVG: 517600 -24.4056 -16.697 -13.3217 -15.2697 29.555 31.0027 -14.5797 29.9282 2.0165 TIMING: 517600 CPU: 1629.94, 0.00314681/step Wall: 1629.94, 0.00314681/step, 3.91813 hours remaining, 233.929688 MB of memory in use. ENERGY: 517600 3983.6584 20520.4804 14449.3357 237.0423 -204077.2621 2798.9899 0.0000 0.0000 51931.8066 -110155.9487 298.4528 -162087.7553 -109798.1461 298.7087 129.3201 155.5721 760220.3132 2.2157 2.3886 PRESSURE: 517800 -138.807 16.4111 113.813 16.4107 325.86 98.9039 113.813 98.9044 -101.721 GPRESSURE: 517800 -55.1803 -112.184 129.396 103.661 335.253 56.9367 79.9047 107.398 -102.801 PRESSAVG: 517800 21.3701 -36.6248 -46.6303 -36.6248 -11.1779 19.5652 -46.6303 19.5651 2.10602 GPRESSAVG: 517800 21.8891 -36.7359 -45.051 -38.0584 -10.2422 19.9518 -47.7056 22.8669 0.82899 TIMING: 517800 CPU: 1630.57, 0.00314118/step Wall: 1630.57, 0.00314118/step, 3.91094 hours remaining, 233.968750 MB of memory in use. ENERGY: 517800 4030.6925 20702.9614 14374.6275 242.7226 -203916.0608 2839.5401 0.0000 0.0000 51874.6046 -109850.9122 298.1241 -161725.5168 -109505.1381 298.8395 28.4440 59.0903 762093.2762 4.0994 4.1586 PRESSURE: 518000 334.818 101.48 -149.064 101.479 174.812 -150.536 -149.064 -150.535 -59.9297 GPRESSURE: 518000 267.36 94.1413 -112.733 41.7259 294.945 -40.8873 -34.3437 -156.617 -16.7837 PRESSAVG: 518000 -24.1634 -46.9923 -23.8957 -46.9922 20.4444 -15.1467 -23.8957 -15.1468 21.502 GPRESSAVG: 518000 -24.0276 -46.2221 -22.5016 -46.0599 19.9721 -12.5117 -24.3063 -15.6192 20.9915 TIMING: 518000 CPU: 1631.2, 0.00314913/step Wall: 1631.2, 0.00314913/step, 3.92067 hours remaining, 233.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 518000 4014.6839 20535.6994 14390.7640 250.4148 -204051.2546 2858.5730 0.0000 0.0000 52054.0823 -109947.0372 299.1555 -162001.1195 -109580.0871 298.9051 149.9001 181.8404 760476.7732 5.9277 5.6453 PRESSURE: 518200 -169.759 -134.255 58.9078 -134.255 -82.5051 170.013 58.9089 170.014 -100.527 GPRESSURE: 518200 -138.488 -81.4213 3.98599 -39.9144 -0.710697 150.75 111.573 150.544 -141.892 PRESSAVG: 518200 -20.2745 -8.2223 8.40992 -8.22235 26.8586 -20.3476 8.40994 -20.3476 20.4173 GPRESSAVG: 518200 -20.1725 -8.70739 5.91887 -9.83672 27.4339 -21.6119 12.057 -21.5812 19.6846 TIMING: 518200 CPU: 1631.83, 0.0031419/step Wall: 1631.83, 0.0031419/step, 3.91149 hours remaining, 233.968750 MB of memory in use. ENERGY: 518200 3991.5046 20392.6647 14368.2188 234.1835 -203359.3725 2453.5146 0.0000 0.0000 51848.4073 -110070.8789 297.9735 -161919.2863 -109710.9123 298.7853 -117.5970 -93.6969 760548.0452 9.0005 8.9820 PRESSURE: 518400 -100.742 -48.2118 -148.937 -48.2124 -339.525 -186.372 -148.936 -186.373 -38.5364 GPRESSURE: 518400 38.0163 -52.0519 -136.797 -97.0004 -348.069 -201.454 -107.689 -40.654 -48.0272 PRESSAVG: 518400 64.0349 3.3941 -41.351 3.39414 -80.66 -28.8701 -41.351 -28.8701 24.2616 GPRESSAVG: 518400 64.1503 2.17793 -40.1481 5.631 -80.7368 -29.6864 -43.2096 -27.6198 24.6501 TIMING: 518400 CPU: 1632.45, 0.00311162/step Wall: 1632.45, 0.00311162/step, 3.87362 hours remaining, 233.968750 MB of memory in use. ENERGY: 518400 3964.5589 20405.5989 14311.0136 255.9149 -203648.5568 2683.3529 0.0000 0.0000 51783.6523 -110244.4654 297.6014 -162028.1176 -109883.6641 298.1244 -159.6013 -119.3598 761316.5380 2.5455 2.6879 PRESSURE: 518600 42.8337 -137 186.784 -137.001 49.9302 29.3481 186.783 29.3473 -551.492 GPRESSURE: 518600 52.9217 -125.213 205.192 -139.696 -8.46373 -14.1077 108.308 2.68828 -413.151 PRESSAVG: 518600 79.8723 -71.2766 74.5487 -71.2766 -27.1973 30.9063 74.5487 30.9063 9.30933 GPRESSAVG: 518600 80.4076 -70.7606 73.6093 -72.959 -27.3245 32.5171 74.5752 29.4079 9.06631 TIMING: 518600 CPU: 1633.08, 0.00314052/step Wall: 1633.08, 0.00314052/step, 3.90943 hours remaining, 233.968750 MB of memory in use. ENERGY: 518600 4023.5338 20454.6980 14352.2195 238.9222 -203685.5890 2483.5516 0.0000 0.0000 51971.2084 -110161.4555 298.6792 -162132.6639 -109799.8907 298.4790 -152.9092 -122.8976 759991.1633 20.6615 20.7165 PRESSURE: 518800 -242.269 6.32072 33.7017 6.32112 -16.0336 -34.8858 33.7021 -34.8861 142.485 GPRESSURE: 518800 -146.715 104.178 110.445 -16.733 45.8854 -62.579 55.8962 -13.6157 77.6791 PRESSAVG: 518800 -39.9383 -55.7199 -1.48657 -55.72 31.8597 19.6225 -1.48658 19.6225 3.7863 GPRESSAVG: 518800 -42.2635 -55.578 0.665441 -54.5054 33.7152 18.2254 -2.81823 19.7955 4.21407 TIMING: 518800 CPU: 1633.7, 0.00311931/step Wall: 1633.7, 0.00311931/step, 3.88285 hours remaining, 233.968750 MB of memory in use. ENERGY: 518800 3919.8713 20447.0629 14321.3434 256.5736 -203540.2650 2528.6352 0.0000 0.0000 51942.0920 -110124.6866 298.5119 -162066.7786 -109754.6166 298.4940 -38.6056 -7.7169 760976.0609 -1.4308 -1.4447 PRESSURE: 519000 -246.9 58.9517 57.1255 58.9522 63.5336 45.7265 57.1266 45.7266 -52.9984 GPRESSURE: 519000 -149.495 93.3438 5.94356 88.6201 48.0804 40.4466 21.5231 23.1394 -62.4577 PRESSAVG: 519000 -39.3267 -20.4211 10.5275 -20.4212 56.5879 21.927 10.5275 21.927 1.04807 GPRESSAVG: 519000 -38.6145 -20.4195 7.79868 -21.5444 55.5503 23.4039 12.7857 21.9657 1.0069 TIMING: 519000 CPU: 1634.33, 0.0031452/step Wall: 1634.33, 0.0031452/step, 3.9149 hours remaining, 233.968750 MB of memory in use. ENERGY: 519000 3985.6284 20473.3298 14421.9462 238.9930 -203627.5607 2321.7732 0.0000 0.0000 52272.3017 -109913.5885 300.4096 -162185.8902 -109550.8586 298.8452 -78.7884 -54.6240 758997.0375 6.1031 5.9809 PRESSURE: 519200 361.819 110.913 115.025 110.913 385.178 257.113 115.024 257.113 222.277 GPRESSURE: 519200 394.76 56.2012 187.603 113.693 521.284 294.581 121.985 24.1039 143.978 PRESSAVG: 519200 -28.8619 -32.8104 71.0795 -32.8103 36.3921 76.7387 71.0795 76.7387 10.4175 GPRESSAVG: 519200 -28.2065 -33.4151 73.3115 -34.0206 35.5913 75.4829 72.1024 77.2187 10.8518 TIMING: 519200 CPU: 1634.96, 0.00314774/step Wall: 1634.96, 0.00314774/step, 3.91789 hours remaining, 234.000000 MB of memory in use. ENERGY: 519200 3955.8972 20616.9289 14423.6583 256.6882 -202986.2792 2479.6967 0.0000 0.0000 51433.7273 -109819.6825 295.5903 -161253.4098 -109470.0688 298.6710 323.0910 353.3407 759764.1347 5.9826 6.0788 PRESSURE: 519400 -269.337 77.8324 -117.126 77.8331 -303.279 -151.561 -117.126 -151.561 14.0873 GPRESSURE: 519400 -207.115 16.9089 -135.407 30.9083 -209.324 6.58638 14.4638 -187.268 -39.0537 PRESSAVG: 519400 -49.2829 -69.3188 27.0688 -69.3188 59.2259 10.0341 27.0688 10.0341 3.86643 GPRESSAVG: 519400 -48.8618 -69.7634 26.2231 -67.5185 59.0304 10.8025 26.8974 9.14408 3.78313 TIMING: 519400 CPU: 1635.59, 0.00313073/step Wall: 1635.59, 0.00313073/step, 3.89654 hours remaining, 234.000000 MB of memory in use. ENERGY: 519400 3994.8372 20671.5122 14442.9299 268.4290 -203225.9945 2348.1705 0.0000 0.0000 51761.2216 -109738.8940 297.4725 -161500.1156 -109381.1343 298.6933 -186.1763 -151.8308 759926.6543 4.6031 4.6506 PRESSURE: 519600 -194.021 36.5387 -287.602 36.5398 9.79843 -60.9593 -287.601 -60.9583 5.71583 GPRESSURE: 519600 -171.962 -53.0483 -226.782 146.134 102.099 -33.8461 -142.129 -8.07933 0.321645 PRESSAVG: 519600 -45.6362 -6.06832 -3.41917 -6.06834 14.668 -23.2054 -3.41918 -23.2054 -10.3361 GPRESSAVG: 519600 -45.8093 -7.26999 -2.80577 -7.07591 14.6871 -24.7173 -2.45599 -23.8053 -10.6656 TIMING: 519600 CPU: 1636.21, 0.00314419/step Wall: 1636.21, 0.00314419/step, 3.91312 hours remaining, 234.000000 MB of memory in use. ENERGY: 519600 3980.7063 20470.4497 14427.5731 253.5512 -203368.6171 2249.1215 0.0000 0.0000 52420.9110 -109566.3041 301.2637 -161987.2151 -109204.1346 299.0716 -59.5021 -23.1807 760197.9269 -13.7681 -13.9293 PRESSURE: 519800 429.723 33.8241 -54.3485 33.825 412.624 -299.929 -54.3486 -299.929 86.5714 GPRESSURE: 519800 468.725 19.7264 -114.297 21.6759 401.856 -290.318 -45.3698 -239.553 131.565 PRESSAVG: 519800 -1.44089 -17.8454 22.6798 -17.8453 33.1359 10.2084 22.6798 10.2084 8.37783 GPRESSAVG: 519800 -2.4256 -17.6169 21.5501 -16.2305 34.3872 11.0042 20.8369 11.9661 8.09566 TIMING: 519800 CPU: 1636.84, 0.00313799/step Wall: 1636.84, 0.00313799/step, 3.90523 hours remaining, 234.000000 MB of memory in use. ENERGY: 519800 3972.7995 20620.8279 14409.4962 250.6201 -203967.2113 2801.3306 0.0000 0.0000 52017.1597 -109894.9773 298.9433 -161912.1370 -109530.0522 299.1348 309.6396 334.0484 760531.3776 13.3576 13.3524 PRESSURE: 520000 -426.01 54.4115 22.8932 54.4114 -5.39381 89.0877 22.8937 89.0886 -118.493 GPRESSURE: 520000 -335.702 122.903 93.4322 67.8212 16.4312 93.3679 76.0067 119.781 -145.222 PRESSAVG: 520000 -1.02065 -35.3118 -14.8037 -35.3118 50.0562 12.4805 -14.8037 12.4805 -13.5557 GPRESSAVG: 520000 1.17702 -34.4738 -13.9474 -34.1039 48.0609 13.1597 -14.084 10.8456 -13.6782 TIMING: 520000 CPU: 1637.47, 0.00312304/step Wall: 1637.47, 0.00312304/step, 3.88645 hours remaining, 234.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 520000 3974.8968 20449.0728 14430.6758 256.2815 -203425.8211 2312.6372 0.0000 0.0000 52022.2006 -109980.0566 298.9723 -162002.2571 -109615.0765 299.1726 -183.2987 -154.8308 760551.7098 11.8266 11.8532 PRESSURE: 520200 -38.7639 -95.3362 124.068 -95.3362 -22.3462 70.384 124.068 70.3834 -36.5464 GPRESSURE: 520200 -26.968 -198.024 23.7915 -58.2719 40.3961 29.5406 83.839 57.7179 -18.5672 PRESSAVG: 520200 -1.44882 -19.4806 41.9462 -19.4805 -6.59063 -29.2232 41.9462 -29.2232 19.4629 GPRESSAVG: 520200 -2.20708 -20.6652 41.8345 -18.3506 -5.33506 -29.7293 42.2756 -29.8022 19.2013 TIMING: 520200 CPU: 1638.09, 0.00312249/step Wall: 1638.09, 0.00312249/step, 3.88559 hours remaining, 234.000000 MB of memory in use. ENERGY: 520200 3876.4014 20408.8531 14418.4272 243.1241 -203381.7993 2625.3246 0.0000 0.0000 51968.5865 -109841.0824 298.6642 -161809.6689 -109477.9930 298.5686 -32.5522 -1.7130 761321.1111 3.8078 3.8864 LDB: ============= START OF LOAD BALANCING ============== 1650.49 LDB: ============== END OF LOAD BALANCING =============== 1650.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1650.49 LDB: ============= START OF LOAD BALANCING ============== 1650.8 LDB: Largest compute 7042 load 0.030968 is 15.8% of average load 0.195826 LDB: Average compute 0.004350 is 2.2% of average load 0.195826 LDB: TIME 1650.81 LOAD: AVG 0.195826 MAX 0.214373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.215 MB LDB: TIME 1650.81 LOAD: AVG 0.195826 MAX 0.214373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.215 MB LDB: TIME 1650.81 LOAD: AVG 0.195826 MAX 0.214373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.215 MB LDB: ============== END OF LOAD BALANCING =============== 1650.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1650.82 PRESSURE: 520400 -345.32 -72.763 -53.2779 -72.762 -314.783 143.814 -53.2777 143.815 -194.702 GPRESSURE: 520400 -321.788 -88.563 -37.761 -53.9562 -245.316 184.739 -140.451 50.2094 -199.087 PRESSAVG: 520400 27.1997 12.3598 23.5123 12.3598 19.2653 -40.6445 23.5123 -40.6445 -24.5291 GPRESSAVG: 520400 27.9812 13.8733 23.571 8.85581 19.4464 -40.7795 24.9536 -40.7001 -25.0055 TIMING: 520400 CPU: 1638.73, 0.00320962/step Wall: 1638.73, 0.00320962/step, 3.99384 hours remaining, 233.699219 MB of memory in use. ENERGY: 520400 3982.9690 20436.1499 14466.1747 231.6395 -203253.6444 2360.2339 0.0000 0.0000 52268.4442 -109508.0332 300.3875 -161776.4774 -109137.1837 299.3236 -284.9347 -255.3972 761182.9978 7.3119 7.4740 PRESSURE: 520600 -554.008 187.143 -63.3667 187.143 279.354 -40.3665 -63.3666 -40.3663 -237.168 GPRESSURE: 520600 -553.645 80.6516 -3.91157 189.168 295.62 -56.0083 -115.378 21.6339 -182.413 PRESSAVG: 520600 6.74491 -39.0746 5.79564 -39.0746 -6.91499 36.6569 5.79562 36.6569 -9.95795 GPRESSAVG: 520600 5.78044 -39.8361 4.37964 -37.5598 -6.73608 36.8851 4.64848 37.0231 -8.92502 TIMING: 520600 CPU: 1639.36, 0.00315161/step Wall: 1639.36, 0.00315161/step, 3.92148 hours remaining, 233.902344 MB of memory in use. ENERGY: 520600 3964.6083 20391.5563 14450.0608 229.9011 -203383.7258 2660.3793 0.0000 0.0000 51984.4153 -109702.8047 298.7551 -161687.2200 -109336.7117 299.2237 -170.6077 -146.8123 761135.2959 -3.3760 -3.2936 PRESSURE: 520800 -95.656 49.9371 150.319 49.9366 -124.368 -237.632 150.319 -237.631 -153.62 GPRESSURE: 520800 19.0972 99.5131 157.729 115.835 -178.727 -221.651 176.866 -102.406 -149.296 PRESSAVG: 520800 -12.4078 -23.3999 -27.6627 -23.3999 19.9869 -19.331 -27.6627 -19.3309 4.15788 GPRESSAVG: 520800 -11.5959 -23.1548 -26.8654 -24.7131 17.7036 -20.554 -30.3387 -17.0955 5.00516 TIMING: 520800 CPU: 1639.99, 0.00312345/step Wall: 1639.99, 0.00312345/step, 3.88627 hours remaining, 233.902344 MB of memory in use. ENERGY: 520800 3970.2105 20409.5905 14367.7238 253.2468 -203212.4465 2441.8476 0.0000 0.0000 52084.4978 -109685.3294 299.3303 -161769.8273 -109319.2914 299.0890 -124.5479 -102.9752 761690.6943 3.9123 3.7043 PRESSURE: 521000 389.323 -241.228 -41.791 -241.228 329.933 142.618 -41.7905 142.618 270.553 GPRESSURE: 521000 393.416 -231.464 -40.6951 -201.515 414.206 155.809 -52.7897 61.9853 249.05 PRESSAVG: 521000 -22.0513 -10.4565 37.283 -10.4564 3.22188 -19.2075 37.2829 -19.2076 -4.53911 GPRESSAVG: 521000 -22.6124 -10.0508 36.5894 -8.23282 5.17573 -18.9275 38.5221 -21.0157 -5.75366 TIMING: 521000 CPU: 1640.62, 0.00315059/step Wall: 1640.62, 0.00315059/step, 3.91985 hours remaining, 233.902344 MB of memory in use. ENERGY: 521000 3955.5460 20686.7158 14423.2190 242.4561 -203855.1334 2948.6973 0.0000 0.0000 52104.4409 -109494.0583 299.4449 -161598.4992 -109132.1633 299.5877 329.9363 352.2239 761572.8216 -7.7895 -7.7301 PRESSURE: 521200 89.7832 53.5991 220.383 53.5993 12.1819 -161.284 220.383 -161.283 -33.365 GPRESSURE: 521200 70.7489 6.62952 168.03 18.597 50.8695 -120.577 199.318 -174.48 30.199 PRESSAVG: 521200 -3.86332 -7.66131 19.2083 -7.6613 4.26134 -27.6889 19.2083 -27.6889 -10.4753 GPRESSAVG: 521200 -4.23033 -8.05019 19.8849 -8.36662 3.80063 -27.0102 18.4635 -28.8476 -9.57785 TIMING: 521200 CPU: 1641.25, 0.00314751/step Wall: 1641.25, 0.00314751/step, 3.91585 hours remaining, 233.902344 MB of memory in use. ENERGY: 521200 4008.4556 20593.6911 14351.0346 248.3472 -203141.8543 2415.2909 0.0000 0.0000 52165.5147 -109359.5202 299.7959 -161525.0349 -109000.8579 299.8413 22.8667 50.6058 760734.9510 -3.3591 -3.3359 PRESSURE: 521400 -266.89 150.734 -107.816 150.733 238.264 156.489 -107.816 156.49 -142.695 GPRESSURE: 521400 -168.64 98.2853 -66.4452 117.553 282.388 108.856 3.3926 157.893 -177.099 PRESSAVG: 521400 4.448 -28.2799 35.6606 -28.28 35.2923 -39.3162 35.6606 -39.3161 12.3583 GPRESSAVG: 521400 4.36951 -29.0386 35.6449 -30.4625 35.9837 -41.0717 37.3571 -36.9359 11.4234 TIMING: 521400 CPU: 1641.88, 0.00313768/step Wall: 1641.88, 0.00313768/step, 3.90344 hours remaining, 233.902344 MB of memory in use. ENERGY: 521400 4057.1225 20288.7737 14421.7573 251.2314 -203247.5661 2682.3410 0.0000 0.0000 52193.5219 -109352.8182 299.9569 -161546.3401 -108982.1908 299.8562 -57.1073 -21.1170 760660.3884 17.3662 17.2589 PRESSURE: 521600 -29.3259 -128.95 -85.3381 -128.95 349.377 -75.1604 -85.3385 -75.1613 10.5225 GPRESSURE: 521600 19.9774 22.0946 -30.6048 -81.0184 361.021 -1.09213 -99.7456 -91.8121 44.0947 PRESSAVG: 521600 -82.7827 -11.3856 -28.2133 -11.3856 30.0144 -28.2019 -28.2133 -28.2019 -7.77983 GPRESSAVG: 521600 -81.9345 -9.45604 -27.8003 -10.9918 29.0865 -26.2135 -29.9757 -28.8035 -7.67484 TIMING: 521600 CPU: 1642.5, 0.00311986/step Wall: 1642.5, 0.00311986/step, 3.88111 hours remaining, 233.902344 MB of memory in use. ENERGY: 521600 3873.3827 20303.7166 14445.6026 231.1029 -203491.2792 2655.0362 0.0000 0.0000 52290.5378 -109691.9005 300.5144 -161982.4383 -109341.1182 299.4692 110.1912 141.6978 760906.4347 -20.1827 -20.1743 PRESSURE: 521800 -307.127 39.1469 -128.892 39.1473 -86.9449 132.667 -128.892 132.669 32.6198 GPRESSURE: 521800 -151.898 -112.55 -142.93 0.830357 -181.783 156.917 -46.5599 -65.5443 55.5518 PRESSAVG: 521800 -46.6155 -20.8408 -44.1858 -20.8408 76.6677 -62.1255 -44.1858 -62.1255 -15.591 GPRESSAVG: 521800 -46.0515 -23.238 -44.8113 -21.0285 77.4854 -62.7722 -43.3766 -61.4421 -16.6013 TIMING: 521800 CPU: 1643.12, 0.00311404/step Wall: 1643.12, 0.00311404/step, 3.87369 hours remaining, 233.902344 MB of memory in use. ENERGY: 521800 3883.3007 20336.9655 14428.7209 233.6337 -203242.2988 2402.0283 0.0000 0.0000 52313.3619 -109644.2879 300.6456 -161957.6498 -109274.8292 299.1094 -120.4840 -92.7095 760451.9072 4.8204 4.9442 PRESSURE: 522000 -206.699 78.163 -12.9583 78.1635 -78.0344 57.6504 -12.9578 57.6501 -156.756 GPRESSURE: 522000 -179.084 183.2 -86.1338 28.7269 -90.8812 60.3908 21.0227 23.8247 -98.9623 PRESSAVG: 522000 -95.3456 -16.791 55.3058 -16.791 46.4653 -3.85046 55.3058 -3.85043 -2.27686 GPRESSAVG: 522000 -95.398 -16.4183 54.6234 -15.7524 45.8953 -2.87095 56.0381 -6.76611 -1.73995 TIMING: 522000 CPU: 1643.74, 0.00309773/step Wall: 1643.74, 0.00309773/step, 3.85323 hours remaining, 233.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 522000 3936.5524 20482.1681 14380.2231 234.2181 -203409.2368 2593.8343 0.0000 0.0000 51975.3718 -109806.8690 298.7032 -161782.2407 -109440.9121 298.6918 -147.1631 -122.9757 761671.0023 -17.0524 -17.0809 PRESSURE: 522200 -313.667 -103.508 -158.212 -103.508 -65.5164 126.102 -158.211 126.103 36.5545 GPRESSURE: 522200 -244.218 -228.646 -185.043 -114.124 -101.222 153.496 -156.532 143.601 74.6429 PRESSAVG: 522200 -69.2865 -26.5078 -13.5727 -26.5077 71.3398 -16.7401 -13.5727 -16.7401 -12.8333 GPRESSAVG: 522200 -69.4815 -25.9483 -12.3792 -26.0504 70.631 -17.5126 -16.9068 -17.372 -12.2949 TIMING: 522200 CPU: 1644.36, 0.00311395/step Wall: 1644.36, 0.00311395/step, 3.87323 hours remaining, 233.902344 MB of memory in use. ENERGY: 522200 3940.0538 20426.9666 14375.0063 251.2029 -203074.6725 2280.1978 0.0000 0.0000 51927.8142 -109873.4310 298.4299 -161801.2452 -109522.2653 298.4230 -114.2095 -90.2656 760957.8758 -3.5933 -3.7151 PRESSURE: 522400 -27.3728 73.8534 273.883 73.8526 -14.1954 1.53772 273.883 1.53766 112.314 GPRESSURE: 522400 -13.6492 134.736 278.734 -20.062 31.2951 -91.4479 407.53 19.0047 146.674 PRESSAVG: 522400 -52.6668 -23.9724 -29.5054 -23.9724 39.9852 11.5241 -29.5054 11.5241 10.9078 GPRESSAVG: 522400 -54.4401 -23.0802 -29.4345 -26.8148 40.8425 11.7286 -25.9085 13.5438 11.0857 TIMING: 522400 CPU: 1644.99, 0.00312484/step Wall: 1644.99, 0.00312484/step, 3.88661 hours remaining, 233.902344 MB of memory in use. ENERGY: 522400 3958.1352 20417.8139 14314.1248 260.1755 -203115.1338 2527.0808 0.0000 0.0000 51702.6802 -109935.1234 297.1360 -161637.8036 -109567.5233 298.5701 23.5818 54.7733 761100.3820 -0.5913 -0.8373 PRESSURE: 522600 -46.38 -52.0353 -163.334 -52.0348 -85.3186 285.441 -163.334 285.44 -214.4 GPRESSURE: 522600 -33.0888 20.2168 -196.842 54.4299 -35.8203 248.969 -139.659 209.121 -174.604 PRESSAVG: 522600 -71.8599 23.7057 -14.8805 23.7056 39.0785 -17.2082 -14.8805 -17.2083 -1.56066 GPRESSAVG: 522600 -70.1421 24.0248 -15.5143 24.1087 38.7447 -15.8488 -15.5344 -18.4545 -2.51409 TIMING: 522600 CPU: 1645.61, 0.00311656/step Wall: 1645.61, 0.00311656/step, 3.87614 hours remaining, 233.902344 MB of memory in use. ENERGY: 522600 3896.5662 20370.3339 14385.3239 244.8898 -203282.6373 2564.3997 0.0000 0.0000 51971.0389 -109850.0848 298.6783 -161821.1238 -109483.6905 298.0910 -115.3661 -81.1711 762407.1580 -11.4474 -11.3038 PRESSURE: 522800 57.4312 -158.251 108.907 -158.25 -279.725 67.6095 108.906 67.609 -226.769 GPRESSURE: 522800 89.0285 -95.027 101.871 -131.812 -172.047 -44.1949 57.7259 12.5587 -281.148 PRESSAVG: 522800 -8.54559 -39.8667 -4.45185 -39.8667 27.9622 -3.83961 -4.45188 -3.83975 -10.6395 GPRESSAVG: 522800 -7.58594 -38.5155 -2.45076 -37.9008 26.645 -6.0526 -4.15074 -2.78842 -10.5381 TIMING: 522800 CPU: 1646.23, 0.00310954/step Wall: 1646.23, 0.00310954/step, 3.86723 hours remaining, 233.902344 MB of memory in use. ENERGY: 522800 3998.8296 20353.0745 14394.5853 251.9798 -203955.1867 2730.9338 0.0000 0.0000 51984.0410 -110241.7427 298.7530 -162225.7837 -109875.6361 298.0689 -149.6877 -121.3886 759882.9536 2.9257 2.8403 PRESSURE: 523000 386.041 -9.62991 195.752 -9.6306 -13.0012 -72.0097 195.752 -72.0099 570.748 GPRESSURE: 523000 322.909 24.8607 247.698 -4.29965 74.1457 -147.014 194.628 -18.4964 618.322 PRESSAVG: 523000 -13.3966 -23.6879 42.6924 -23.6878 -22.4079 5.38618 42.6924 5.38618 17.5824 GPRESSAVG: 523000 -14.2926 -25.9952 42.5456 -24.8708 -21.394 3.17826 42.1919 4.628 17.6993 TIMING: 523000 CPU: 1646.86, 0.00313622/step Wall: 1646.86, 0.00313622/step, 3.90024 hours remaining, 233.902344 MB of memory in use. ENERGY: 523000 3934.5208 20498.3207 14404.7857 258.5511 -203851.1271 2833.3356 0.0000 0.0000 51954.2331 -109967.3801 298.5817 -161921.6131 -109614.1777 298.6598 314.5958 338.4586 758944.7030 -6.0740 -5.9958 PRESSURE: 523200 88.0336 -193.767 125.714 -193.767 -316.363 53.4688 125.714 53.4683 -316.868 GPRESSURE: 523200 94.5355 -55.7071 152.153 -227.216 -178.928 -14.3544 123.411 49.5819 -394.439 PRESSAVG: 523200 -46.1063 -25.7641 73.6954 -25.7642 53.0898 0.915739 73.6954 0.915636 -22.5809 GPRESSAVG: 523200 -46.2446 -24.0502 74.4368 -25.2447 53.8926 2.42355 76.0124 1.63578 -23.7651 TIMING: 523200 CPU: 1647.49, 0.00313929/step Wall: 1647.49, 0.00313929/step, 3.90388 hours remaining, 233.902344 MB of memory in use. ENERGY: 523200 3980.7345 20503.0929 14508.1313 265.6735 -203370.3161 2375.8324 0.0000 0.0000 51662.7383 -110074.1131 296.9065 -161736.8514 -109721.9607 298.2191 -181.7327 -159.6106 760363.0125 -5.1992 -5.3723 PRESSURE: 523400 67.2264 -120.355 198.542 -120.356 125.648 256.152 198.543 256.153 -12.8328 GPRESSURE: 523400 130.289 -126.499 201.057 -94.8172 118.576 291.728 185.117 289.478 -6.07104 PRESSAVG: 523400 -22.2142 2.51853 22.8056 2.51851 31.6269 -2.62171 22.8057 -2.62162 8.8922 GPRESSAVG: 523400 -21.7291 0.399569 21.6858 2.39977 30.2952 -2.17097 23.1244 -1.61074 10.4083 TIMING: 523400 CPU: 1648.12, 0.00313526/step Wall: 1648.12, 0.00313526/step, 3.8987 hours remaining, 233.902344 MB of memory in use. ENERGY: 523400 3910.7292 20361.4700 14435.0805 241.1413 -203823.7119 2785.1097 0.0000 0.0000 51973.1091 -110117.0721 298.6902 -162090.1812 -109750.0083 298.2007 60.0139 80.9312 760099.0038 6.1016 6.3248 PRESSURE: 523600 -0.792806 272.098 -192.617 272.098 304.586 -104.377 -192.617 -104.376 -246.77 GPRESSURE: 523600 111.669 340.052 -182.04 351.813 272.837 -153.587 -97.8135 -64.0613 -225.593 PRESSAVG: 523600 -30.3624 -17.2264 32.7132 -17.2264 72.7048 58.9166 32.7131 58.9166 -3.17461 GPRESSAVG: 523600 -30.3102 -18.3166 33.937 -18.105 73.4236 59.2436 30.6416 57.8256 -3.88248 TIMING: 523600 CPU: 1648.74, 0.00313003/step Wall: 1648.74, 0.00313003/step, 3.89202 hours remaining, 233.902344 MB of memory in use. ENERGY: 523600 3995.2718 20431.0551 14488.2547 230.9590 -203918.0112 2740.8591 0.0000 0.0000 52010.8727 -110020.7389 298.9072 -162031.6116 -109661.4174 298.6235 19.0078 52.9708 759616.0111 13.0559 13.0770 PRESSURE: 523800 -62.5292 -170.394 -152.778 -170.393 -96.4999 206.987 -152.778 206.985 -271.844 GPRESSURE: 523800 59.2534 -190.522 -164.77 -228.898 -60.1903 242.051 -236.811 168.812 -315.19 PRESSAVG: 523800 -39.572 1.67189 28.8863 1.67191 43.6304 10.1957 28.8863 10.1956 -8.18138 GPRESSAVG: 523800 -39.0239 2.55012 27.562 3.68954 43.9043 11.3392 30.1573 8.27578 -8.55391 TIMING: 523800 CPU: 1649.36, 0.00310653/step Wall: 1649.36, 0.00310653/step, 3.86263 hours remaining, 233.902344 MB of memory in use. ENERGY: 523800 3987.3139 20270.4367 14485.4389 251.1217 -203651.4564 2630.0213 0.0000 0.0000 51999.8728 -110027.2510 298.8440 -162027.1238 -109666.7673 297.9821 -143.6245 -105.3756 760579.7301 -1.3743 -1.2245 PRESSURE: 524000 389.469 4.27047 -18.2451 4.2696 209.793 91.6257 -18.245 91.6272 378.943 GPRESSURE: 524000 359.87 -120.578 105.431 28.599 309.955 41.4419 -169.38 122.743 383.716 PRESSAVG: 524000 23.3835 -13.454 -35.4589 -13.454 2.74992 72.2564 -35.4589 72.2563 -28.9493 GPRESSAVG: 524000 23.7071 -14.3703 -33.9161 -13.9565 2.1452 70.7323 -35.8284 73.0284 -29.0913 TIMING: 524000 CPU: 1649.99, 0.00312699/step Wall: 1649.99, 0.00312699/step, 3.88789 hours remaining, 233.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 524000 3899.2194 20635.6116 14500.7195 261.1142 -204032.0071 2795.0060 0.0000 0.0000 52134.3713 -109805.9652 299.6169 -161940.3364 -109449.3421 298.9697 326.0686 351.1803 758125.7472 -0.9386 -1.0796 PRESSURE: 524200 -26.2633 10.3524 228.979 10.3521 251.982 21.7798 228.978 21.781 17.0818 GPRESSURE: 524200 58.7527 83.3859 182.275 52.3617 222.303 -82.179 76.6292 192.739 51.9382 PRESSAVG: 524200 -54.1678 12.1597 62.3912 12.1597 53.7235 56.3067 62.3912 56.3067 -5.209 GPRESSAVG: 524200 -55.796 12.9994 62.3453 11.9821 53.1393 56.61 59.2157 56.2502 -2.88493 TIMING: 524200 CPU: 1650.61, 0.00312611/step Wall: 1650.61, 0.00312611/step, 3.88663 hours remaining, 233.902344 MB of memory in use. ENERGY: 524200 3978.8237 20629.0159 14437.6454 240.2883 -203773.6998 2702.3670 0.0000 0.0000 52005.4402 -109780.1194 298.8760 -161785.5596 -109419.8849 299.4413 80.9334 110.9981 760290.6757 -1.8844 -1.8472 LDB: ============= START OF LOAD BALANCING ============== 1663.01 LDB: ============== END OF LOAD BALANCING =============== 1663.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1663.01 LDB: ============= START OF LOAD BALANCING ============== 1663.33 LDB: Largest compute 7075 load 0.030215 is 15.4% of average load 0.195812 LDB: Average compute 0.004384 is 2.2% of average load 0.195812 LDB: TIME 1663.33 LOAD: AVG 0.195812 MAX 0.217635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.641 MB LDB: TIME 1663.33 LOAD: AVG 0.195812 MAX 0.217635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: TIME 1663.33 LOAD: AVG 0.195812 MAX 0.217635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: ============== END OF LOAD BALANCING =============== 1663.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1663.34 PRESSURE: 524400 -188.007 12.7983 98.1557 12.7986 -478.953 45.4783 98.1563 45.4772 -145.11 GPRESSURE: 524400 -116.526 79.8263 214.179 70.4699 -489.718 109.119 146.108 -29.7909 -123.064 PRESSAVG: 524400 26.1712 -8.79656 15.123 -8.7965 9.83192 10.0736 15.123 10.0736 -26.6636 GPRESSAVG: 524400 27.348 -8.89189 14.7526 -8.47625 10.4836 9.44034 17.4731 10.7958 -28.505 TIMING: 524400 CPU: 1651.26, 0.00322278/step Wall: 1651.26, 0.00322278/step, 4.00664 hours remaining, 234.046875 MB of memory in use. ENERGY: 524400 3954.4372 20585.8081 14518.2592 242.9026 -203689.8819 2249.9475 0.0000 0.0000 52296.2747 -109842.2525 300.5474 -162138.5273 -109470.6516 299.3845 -270.6903 -243.1023 759679.6814 3.1132 3.1089 PRESSURE: 524600 -69.4639 -71.4793 -26.23 -71.4786 287.614 -6.31573 -26.2291 -6.31424 -314.677 GPRESSURE: 524600 -22.6353 72.8447 -108.214 -128.598 355.784 -38.3431 40.5032 24.4904 -341.866 PRESSAVG: 524600 18.3853 -25.1645 40.6996 -25.1645 10.8881 28.7555 40.6995 28.7554 8.0139 GPRESSAVG: 524600 19.1198 -26.3774 38.1471 -26.8258 10.5777 28.5404 43.3786 27.3483 7.53163 TIMING: 524600 CPU: 1651.89, 0.0031418/step Wall: 1651.89, 0.0031418/step, 3.90579 hours remaining, 234.046875 MB of memory in use. ENERGY: 524600 4011.0632 20474.7454 14503.4308 229.1330 -203859.3985 2659.3135 0.0000 0.0000 52187.5260 -109794.1865 299.9224 -161981.7125 -109432.2141 299.2707 -32.1756 -2.9057 758983.8850 12.4291 12.4097 PRESSURE: 524800 -101.407 84.6271 161.964 84.627 -98.0671 -138.262 161.964 -138.263 -230.252 GPRESSURE: 524800 -41.9024 -24.0498 105.707 146.181 -26.5242 -59.6482 166.138 -75.2149 -271.697 PRESSAVG: 524800 -54.9838 12.5894 -2.48392 12.5894 67.3807 29.9151 -2.48389 29.9152 -13.2212 GPRESSAVG: 524800 -56.2484 12.9959 -2.527 14.3938 67.7816 30.3572 -3.84482 32.5119 -11.8274 TIMING: 524800 CPU: 1652.51, 0.00312916/step Wall: 1652.51, 0.00312916/step, 3.8899 hours remaining, 234.046875 MB of memory in use. ENERGY: 524800 3963.0537 20494.2718 14456.0076 245.2235 -203712.5001 2567.0503 0.0000 0.0000 52144.7107 -109842.1825 299.6764 -161986.8932 -109477.0679 299.5898 -143.2419 -113.3744 761030.6242 -0.2747 -0.0981 PRESSURE: 525000 -429.913 -83.8811 3.09811 -83.8811 1.70732 -21.3945 3.09841 -21.3963 102.772 GPRESSURE: 525000 -339.04 -98.0086 19.3278 -115.928 92.229 -52.0341 105.41 -142.958 30.4838 PRESSAVG: 525000 -88.2236 29.9072 15.1224 29.9072 101.612 -7.63723 15.1225 -7.63723 0.925096 GPRESSAVG: 525000 -86.2356 29.6652 17.0785 30.0041 100.684 -7.85432 14.5167 -10.0827 -0.252991 TIMING: 525000 CPU: 1653.14, 0.00312855/step Wall: 1653.14, 0.00312855/step, 3.88896 hours remaining, 234.046875 MB of memory in use. ENERGY: 525000 4042.9126 20450.4120 14456.8849 238.2519 -203205.6902 2503.8270 0.0000 0.0000 52040.4578 -109472.9442 299.0772 -161513.4019 -109114.2058 299.4427 -108.4779 -72.1091 762179.8839 4.7712 4.7318 PRESSURE: 525200 265.898 -111.328 46.7116 -111.327 -113.468 -13.7364 46.7118 -13.737 302.49 GPRESSURE: 525200 212.48 -126.968 -32.6757 -105.263 63.4416 -30.0679 88.7801 69.8295 259.469 PRESSAVG: 525200 -34.2394 44.0419 66.9771 44.0419 32.9661 63.2628 66.9771 63.2628 15.24 GPRESSAVG: 525200 -36.5412 44.9402 66.5744 44.5046 34.1438 62.271 66.5133 65.5519 15.6951 TIMING: 525200 CPU: 1653.77, 0.00313839/step Wall: 1653.77, 0.00313839/step, 3.90102 hours remaining, 234.046875 MB of memory in use. ENERGY: 525200 4049.4568 20606.7725 14435.3860 223.4934 -203211.9479 2408.8589 0.0000 0.0000 51879.9748 -109608.0056 298.1549 -161487.9804 -109244.3263 299.9404 151.6400 178.4634 760808.7681 4.6556 4.4326 PRESSURE: 525400 -376.317 12.3323 118.221 12.3322 -466.589 -142.974 118.219 -142.974 217.967 GPRESSURE: 525400 -354.105 -48.3419 118.842 -66.3092 -394.987 -129.89 80.1607 -183.641 187.574 PRESSAVG: 525400 -23.6014 -29.1511 2.39943 -29.1511 47.9251 -0.257105 2.3995 -0.257198 16.8735 GPRESSAVG: 525400 -24.1211 -29.1328 0.958708 -31.0477 48.2612 1.67165 2.60455 -1.59787 16.6163 TIMING: 525400 CPU: 1654.39, 0.00313156/step Wall: 1654.39, 0.00313156/step, 3.89235 hours remaining, 234.046875 MB of memory in use. ENERGY: 525400 4061.4269 20562.5508 14526.2005 262.0393 -203223.6214 2469.6725 0.0000 0.0000 52136.5429 -109205.1884 299.6294 -161341.7314 -108836.5539 300.0693 -208.3129 -187.1724 763364.4142 13.7324 13.5855 PRESSURE: 525600 432.014 -31.4486 -36.913 -31.4487 12.775 -80.1469 -36.9129 -80.1469 71.6522 GPRESSURE: 525600 533.419 -193.135 -14.0707 -143.98 55.6723 -193.424 -30.7555 -99.1451 -1.11921 PRESSAVG: 525600 19.5259 -25.118 -2.39038 -25.118 4.30198 5.65774 -2.39035 5.65772 -1.84371 GPRESSAVG: 525600 21.0446 -27.3549 -0.674031 -25.0646 2.93822 6.16027 -1.58521 5.30324 -2.01928 TIMING: 525600 CPU: 1655.02, 0.00313699/step Wall: 1655.02, 0.00313699/step, 3.89893 hours remaining, 234.046875 MB of memory in use. ENERGY: 525600 3961.0103 20398.0447 14459.2907 242.6240 -203643.0507 2662.1562 0.0000 0.0000 52504.1494 -109415.7755 301.7421 -161919.9249 -109053.1658 300.5521 172.1472 195.9908 760115.0878 7.3281 7.3212 PRESSURE: 525800 -198.741 -53.253 106.152 -53.2522 -401.812 137.412 106.153 137.412 185.211 GPRESSURE: 525800 -119.183 -9.52106 13.441 -69.21 -331.435 190.048 206.694 160.453 136.129 PRESSAVG: 525800 -3.40198 -38.8177 -8.34754 -38.8177 10.7563 -3.38331 -8.34754 -3.38339 -13.4172 GPRESSAVG: 525800 -4.08182 -37.4429 -10.4215 -38.9811 10.503 -3.7287 -9.76362 -2.23054 -12.6668 TIMING: 525800 CPU: 1655.65, 0.00314001/step Wall: 1655.65, 0.00314001/step, 3.90251 hours remaining, 234.046875 MB of memory in use. ENERGY: 525800 3941.9510 20538.4041 14435.5116 251.1504 -202928.5497 2298.2719 0.0000 0.0000 52093.1554 -109370.1054 299.3801 -161463.2608 -109007.7975 299.7883 -138.4475 -104.8297 762059.4718 -2.0210 -2.0819 PRESSURE: 526000 -123.618 -69.1139 -42.5172 -69.1132 112.691 181.19 -42.5174 181.191 129.397 GPRESSURE: 526000 -155.907 -103.712 -82.4636 -53.7489 170.359 196.838 -68.0015 112.14 186.428 PRESSAVG: 526000 -17.5069 9.0193 18.0248 9.01926 -8.19932 4.59374 18.0248 4.59374 14.5113 GPRESSAVG: 526000 -18.1978 9.04934 19.0729 8.1988 -6.98154 4.40791 17.173 3.99768 15.0265 TIMING: 526000 CPU: 1656.27, 0.00312533/step Wall: 1656.27, 0.00312533/step, 3.88409 hours remaining, 234.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 526000 3968.6382 20550.1799 14351.1124 240.1672 -202958.5897 2332.9520 0.0000 0.0000 52194.0493 -109321.4908 299.9599 -161515.5401 -108954.5357 299.9289 39.4902 66.9597 761058.1476 -3.7316 -3.3843 PRESSURE: 526200 92.0695 134.068 22.9149 134.068 148.68 202.357 22.9145 202.356 68.6057 GPRESSURE: 526200 65.5904 131.955 78.3845 183.888 175.219 202.463 115.423 201.144 141.64 PRESSAVG: 526200 -34.3239 6.57112 40.5426 6.57108 30.9631 8.30833 40.5426 8.30833 -23.9716 GPRESSAVG: 526200 -33.6612 6.63443 41.774 8.23293 30.8682 9.33637 43.5755 8.73351 -24.6414 TIMING: 526200 CPU: 1656.9, 0.00311941/step Wall: 1656.9, 0.00311941/step, 3.87657 hours remaining, 234.046875 MB of memory in use. ENERGY: 526200 3982.3547 20377.7360 14471.2949 254.0298 -203039.3630 2596.3779 0.0000 0.0000 51917.6982 -109439.8716 298.3717 -161357.5697 -109072.8648 299.7689 103.1185 127.4830 761866.9393 -9.1108 -9.1448 PRESSURE: 526400 -88.3139 47.9789 219.249 47.9786 139.962 -120.929 219.249 -120.928 -337.632 GPRESSURE: 526400 -18.9549 113.73 182.858 5.31387 99.7916 -96.4688 64.2869 -150.018 -301.53 PRESSAVG: 526400 -64.1173 30.6238 -17.4832 30.6238 38.0925 -12.9342 -17.4832 -12.9342 5.38456 GPRESSAVG: 526400 -63.8526 30.7039 -18.909 30.7435 37.2084 -14.0468 -18.5671 -14.783 6.44401 TIMING: 526400 CPU: 1657.52, 0.00313278/step Wall: 1657.52, 0.00313278/step, 3.893 hours remaining, 234.046875 MB of memory in use. ENERGY: 526400 3975.8977 20345.4450 14395.1103 246.8554 -202957.9617 2175.0856 0.0000 0.0000 52317.8872 -109501.6806 300.6716 -161819.5678 -109128.1981 300.1170 -95.3282 -73.5643 761114.7142 -6.8801 -6.7334 PRESSURE: 526600 -124.789 -39.1508 22.7519 -39.1508 28.2952 -64.0559 22.7521 -64.0568 384.058 GPRESSURE: 526600 -81.7654 -77.2711 108.483 -75.0446 91.5989 -69.8046 107.392 -147.444 387.519 PRESSAVG: 526600 -43.6524 -21.8251 14.8885 -21.8251 13.0261 -25.0329 14.8885 -25.0328 -20.6816 GPRESSAVG: 526600 -43.65 -22.5242 16.887 -22.2828 13.901 -26.3242 11.4586 -24.8677 -21.5628 TIMING: 526600 CPU: 1658.15, 0.00312949/step Wall: 1658.15, 0.00312949/step, 3.88874 hours remaining, 234.046875 MB of memory in use. ENERGY: 526600 3975.4661 20561.8417 14353.8770 263.4933 -203190.8625 2521.8700 0.0000 0.0000 52058.3322 -109455.9822 299.1800 -161514.3144 -109097.9123 299.9451 95.8547 132.4508 759519.9419 -17.1026 -17.1039 PRESSURE: 526800 1.12983 -203.229 -124.085 -203.229 9.44456 -67.1733 -124.085 -67.1734 -215.485 GPRESSURE: 526800 77.2665 -162.315 -80.1009 -192.92 80.35 -7.35843 -45.1976 36.8145 -284.28 PRESSAVG: 526800 -11.0308 -42.1271 -5.14177 -42.1271 -9.87722 -28.3472 -5.1418 -28.3471 -12.1804 GPRESSAVG: 526800 -11.8264 -40.6668 -6.61619 -40.6213 -8.49588 -27.5469 -3.64965 -27.2202 -12.5908 TIMING: 526800 CPU: 1658.78, 0.00312911/step Wall: 1658.78, 0.00312911/step, 3.88809 hours remaining, 234.046875 MB of memory in use. ENERGY: 526800 4057.3383 20541.9892 14358.9858 236.3192 -203169.4059 2329.0569 0.0000 0.0000 52190.9665 -109454.7500 299.9422 -161645.7165 -109097.9578 299.7154 -68.3036 -42.2213 759278.8262 -11.0295 -10.9710 PRESSURE: 527000 -540.656 7.37476 96.5937 7.37461 -465.996 -55.9506 96.5939 -55.9507 -465.932 GPRESSURE: 527000 -494.551 -46.7165 96.2766 10.5492 -405.139 -65.0656 -17.9753 -47.2162 -495.958 PRESSAVG: 527000 26.4969 -34.8813 14.1368 -34.8812 -8.22309 -31.3654 14.1367 -31.3654 -12.1862 GPRESSAVG: 527000 27.3701 -35.5536 13.4118 -37.1535 -9.51481 -32.6609 14.4495 -30.9784 -12.0533 TIMING: 527000 CPU: 1659.41, 0.00315402/step Wall: 1659.41, 0.00315402/step, 3.91887 hours remaining, 234.046875 MB of memory in use. ENERGY: 527000 4024.5756 20479.8070 14398.5688 246.7853 -202703.6718 1957.1551 0.0000 0.0000 51895.9992 -109700.7807 298.2470 -161596.7799 -109338.4863 299.0706 -490.8617 -465.2160 759807.1942 2.0292 1.9340 PRESSURE: 527200 -788.668 -26.9051 -148.763 -26.9048 -1.41496 91.5117 -148.762 91.5118 -92.6197 GPRESSURE: 527200 -594.032 7.78981 -125.73 -42.9854 -38.0521 59.5797 -78.3026 3.62795 -142.584 PRESSAVG: 527200 -53.5634 -15.6419 20.7949 -15.642 44.5151 -19.2989 20.7949 -19.2989 4.19672 GPRESSAVG: 527200 -53.6247 -15.6602 21.4473 -16.0465 44.7637 -19.9398 22.7728 -18.4185 3.85262 TIMING: 527200 CPU: 1660.03, 0.00312489/step Wall: 1660.03, 0.00312489/step, 3.8825 hours remaining, 234.046875 MB of memory in use. ENERGY: 527200 4011.2359 20512.0254 14348.9066 270.3423 -203763.9906 2689.9195 0.0000 0.0000 52030.6251 -109900.9357 299.0207 -161931.5608 -109529.0144 298.6998 -294.2341 -258.2228 760167.2182 -1.6172 -1.6695 PRESSURE: 527400 327.204 -183.894 84.5693 -183.894 115.73 -238.839 84.5703 -238.84 277.58 GPRESSURE: 527400 286.483 -53.1765 53.7586 -145.75 263.328 -204.265 14.9362 -98.6224 277.589 PRESSAVG: 527400 -1.6583 6.47379 18.0307 6.47376 -2.96358 -50.6753 18.0307 -50.6752 6.98773 GPRESSAVG: 527400 -2.46537 7.24163 19.6643 9.47886 -2.11235 -49.9858 17.4941 -51.5586 6.88637 TIMING: 527400 CPU: 1660.66, 0.00314251/step Wall: 1660.66, 0.00314251/step, 3.90423 hours remaining, 234.046875 MB of memory in use. ENERGY: 527400 3917.3095 20394.9790 14379.8930 259.9918 -203507.7869 2401.9564 0.0000 0.0000 52211.0307 -109942.6265 300.0575 -162153.6572 -109571.5825 299.2651 240.1714 275.7998 757728.4382 0.7886 0.7695 PRESSURE: 527600 -398.321 31.5099 363.719 31.5095 -256.863 205.445 363.718 205.445 -319.546 GPRESSURE: 527600 -374.094 59.4527 289.225 7.28696 -231.732 182.999 303.446 130.303 -274.653 PRESSAVG: 527600 -66.7238 -34.7081 -8.10807 -34.7081 78.8451 -3.24302 -8.10809 -3.24309 -3.7914 GPRESSAVG: 527600 -66.5562 -35.7426 -8.59324 -36.0741 77.7078 -1.28515 -8.77525 -3.2326 -3.34325 TIMING: 527600 CPU: 1661.29, 0.00315154/step Wall: 1661.29, 0.00315153/step, 3.91526 hours remaining, 234.046875 MB of memory in use. ENERGY: 527600 3952.6308 20458.0719 14410.1505 242.9858 -203274.3209 2329.5406 0.0000 0.0000 52108.8556 -109772.0858 299.4703 -161880.9414 -109406.1001 298.8758 -324.9101 -293.4929 759196.7156 2.7767 2.6028 PRESSURE: 527800 39.7316 118.653 -153.249 118.654 155.658 -80.7754 -153.248 -80.7749 194.361 GPRESSURE: 527800 154.771 148.775 -201.079 53.0632 161.189 -57.7844 -58.1061 -76.9214 146.163 PRESSAVG: 527800 4.17434 -9.98988 23.127 -9.98995 40.5308 -30.3925 23.127 -30.3924 -17.8143 GPRESSAVG: 527800 3.95278 -9.31807 22.5248 -11.4034 41.1827 -30.9141 22.7881 -30.4985 -18.4213 TIMING: 527800 CPU: 1661.92, 0.00313965/step Wall: 1661.92, 0.00313965/step, 3.90032 hours remaining, 234.046875 MB of memory in use. ENERGY: 527800 3950.0210 20596.9794 14505.8972 235.7007 -203514.9570 2637.0047 0.0000 0.0000 51909.6424 -109679.7117 298.3254 -161589.3540 -109324.4628 299.4364 129.9166 154.0410 759153.2740 8.9636 8.9047 PRESSURE: 528000 -159.275 -61.9279 -68.7934 -61.9268 129.462 -25.1686 -68.7935 -25.1695 -152.891 GPRESSURE: 528000 -94.9238 -128.823 -52.2218 -48.5589 148.769 -22.9529 -5.99237 -78.3782 -146.469 PRESSAVG: 528000 -44.8008 -35.6851 -23.2582 -35.6851 50.2744 -38.7021 -23.2583 -38.7021 1.1653 GPRESSAVG: 528000 -44.829 -37.7411 -24.0804 -34.2109 50.2549 -39.1084 -24.3481 -38.8741 1.5738 TIMING: 528000 CPU: 1662.54, 0.00313346/step Wall: 1662.54, 0.00313346/step, 3.89245 hours remaining, 234.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 528000 3998.9247 20464.8677 14469.3730 240.2096 -203350.0264 2378.0113 0.0000 0.0000 52111.3020 -109687.3382 299.4844 -161798.6402 -109332.2905 299.2564 -60.9014 -30.8747 759992.4855 2.2130 2.3332 PRESSURE: 528200 77.3872 -57.4589 194.198 -57.4583 308.793 91.4136 194.199 91.413 77.3336 GPRESSURE: 528200 69.4865 -55.2148 94.9163 -6.87016 324.565 106.766 166.948 100.97 152.844 PRESSAVG: 528200 -100.541 -41.5303 56.8133 -41.5304 72.6682 9.54158 56.8133 9.54165 -16.6524 GPRESSAVG: 528200 -99.4025 -39.8374 58.3652 -43.3347 72.0117 11.1428 57.2233 6.16072 -17.1204 TIMING: 528200 CPU: 1663.17, 0.00314738/step Wall: 1663.17, 0.00314738/step, 3.90957 hours remaining, 234.046875 MB of memory in use. ENERGY: 528200 4022.1472 20410.8807 14421.6701 246.8643 -203450.5010 2385.1341 0.0000 0.0000 52158.4407 -109805.3638 299.7553 -161963.8046 -109440.3746 299.0665 154.5046 182.2985 759503.2011 -14.8418 -14.8370 LDB: ============= START OF LOAD BALANCING ============== 1675.57 LDB: ============== END OF LOAD BALANCING =============== 1675.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1675.57 LDB: ============= START OF LOAD BALANCING ============== 1675.89 LDB: Largest compute 7031 load 0.030261 is 15.5% of average load 0.195821 LDB: Average compute 0.004363 is 2.2% of average load 0.195821 LDB: TIME 1675.89 LOAD: AVG 0.195821 MAX 0.216105 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.676 MB LDB: TIME 1675.89 LOAD: AVG 0.195821 MAX 0.216105 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: TIME 1675.89 LOAD: AVG 0.195821 MAX 0.216105 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: ============== END OF LOAD BALANCING =============== 1675.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1675.9 PRESSURE: 528400 623.098 -121.143 86.727 -121.145 -38.0237 -0.658083 86.728 -0.657108 -98.6796 GPRESSURE: 528400 637.242 -105.843 62.1604 -49.2722 70.5387 -76.8087 74.2701 13.0601 -113.088 PRESSAVG: 528400 -2.60338 -20.786 36.8722 -20.7861 12.8237 -17.814 36.8722 -17.8139 21.4171 GPRESSAVG: 528400 -4.39973 -23.062 34.4957 -17.3552 14.0061 -20.9066 39.6313 -13.4368 22.4863 TIMING: 528400 CPU: 1663.82, 0.00321448/step Wall: 1663.82, 0.00321448/step, 3.99275 hours remaining, 233.664062 MB of memory in use. ENERGY: 528400 3975.4415 20339.5080 14484.8956 237.7373 -203399.1978 2626.1136 0.0000 0.0000 52053.1811 -109682.3206 299.1503 -161735.5017 -109313.6858 298.4564 162.1315 198.2309 759307.3277 10.5458 10.6976 PRESSURE: 528600 131.532 -271.114 100.282 -271.114 -159.219 72.6693 100.282 72.6688 -145.28 GPRESSURE: 528600 151.852 -278.504 129.904 -259.889 -92.5646 92.332 -55.597 86.118 -164.183 PRESSAVG: 528600 -25.5893 -26.3648 19.3435 -26.3648 5.03186 -8.22789 19.3435 -8.22793 7.4428 GPRESSAVG: 528600 -25.4228 -25.6827 20.3279 -29.1536 4.66189 -5.86202 18.5739 -9.19234 7.30655 TIMING: 528600 CPU: 1664.45, 0.00315434/step Wall: 1664.45, 0.00315433/step, 3.91786 hours remaining, 233.664062 MB of memory in use. ENERGY: 528600 4004.9409 20437.7082 14447.3751 243.1727 -203416.7495 2435.4732 0.0000 0.0000 52348.6748 -109499.4046 300.8486 -161848.0794 -109141.0080 299.5081 -57.6559 -34.9652 759673.6276 -4.3715 -4.4848 PRESSURE: 528800 -262.616 -296.536 185.172 -296.537 -140.203 218.246 185.171 218.247 -114.57 GPRESSURE: 528800 -229.326 -243.879 104.521 -322.215 -55.6505 144.974 212.626 82.5939 -142.577 PRESSAVG: 528800 -37.1512 -53.2451 17.3004 -53.2451 69.0373 21.2599 17.3004 21.26 14.3368 GPRESSAVG: 528800 -35.9648 -51.56 17.8694 -53.1477 69.0504 21.4094 13.8211 19.1299 13.2435 TIMING: 528800 CPU: 1665.07, 0.00313524/step Wall: 1665.07, 0.00313524/step, 3.89397 hours remaining, 233.664062 MB of memory in use. ENERGY: 528800 4016.9935 20473.5591 14483.5656 219.3005 -203515.5441 2654.2803 0.0000 0.0000 52260.3058 -109407.5394 300.3407 -161667.8451 -109041.7450 299.7116 -172.4628 -142.5177 758941.6069 15.4076 15.4430 PRESSURE: 529000 -214.206 111.042 -102.093 111.042 27.9906 -40.6643 -102.093 -40.6641 37.8546 GPRESSURE: 529000 -220.691 120.283 -96.9003 63.0224 120.587 15.5755 -93.9822 -36.5339 47.4234 PRESSAVG: 529000 -42.3225 -54.3587 53.5114 -54.3587 79.8452 20.7901 53.5114 20.79 4.668 GPRESSAVG: 529000 -43.0299 -53.7594 53.2679 -55.3463 80.3286 20.2977 56.0118 22.0853 5.31083 TIMING: 529000 CPU: 1665.7, 0.00313894/step Wall: 1665.7, 0.00313894/step, 3.89839 hours remaining, 233.664062 MB of memory in use. ENERGY: 529000 4005.0818 20507.8766 14430.3000 258.2264 -203234.1845 2531.0271 0.0000 0.0000 52045.4825 -109456.1902 299.1061 -161501.6726 -109098.8242 300.2619 -49.4535 -17.5601 760540.9441 14.0636 14.2032 PRESSURE: 529200 96.2566 169.005 221.593 169.004 181.819 -223.308 221.593 -223.308 158.137 GPRESSURE: 529200 169.429 8.40726 188.939 237.688 208.392 -259.889 88.5877 -168.212 148.363 PRESSAVG: 529200 17.5319 -37.5272 -15.3971 -37.5272 10.3282 -53.5527 -15.3971 -53.5527 -22.7436 GPRESSAVG: 529200 18.9436 -38.5556 -17.2325 -37.1483 9.23895 -53.042 -15.2073 -52.3246 -23.1553 TIMING: 529200 CPU: 1666.33, 0.0031265/step Wall: 1666.33, 0.0031265/step, 3.88277 hours remaining, 233.664062 MB of memory in use. ENERGY: 529200 4019.2970 20619.2238 14384.7007 252.5701 -203565.9520 2809.4142 0.0000 0.0000 52245.5889 -109235.1575 300.2561 -161480.7464 -108878.0833 300.4157 145.4042 175.3948 759969.0781 1.7055 1.6757 PRESSURE: 529400 -130.344 -137.604 -177.642 -137.604 -46.9273 -130.141 -177.642 -130.14 -139.952 GPRESSURE: 529400 10.1101 -84.4526 -178.833 -110.127 -92.3273 -136.11 -51.8275 -60.9486 -153.94 PRESSAVG: 529400 -19.3641 36.6534 -44.3981 36.6534 38.7218 -57.52 -44.3981 -57.52 1.91777 GPRESSAVG: 529400 -19.0323 37.0772 -43.981 39.9255 39.7267 -57.9223 -44.4191 -58.2676 0.805497 TIMING: 529400 CPU: 1666.96, 0.00315795/step Wall: 1666.96, 0.00315795/step, 3.92165 hours remaining, 233.664062 MB of memory in use. ENERGY: 529400 3949.7701 20540.3138 14412.3187 251.2795 -203198.3323 2619.2906 0.0000 0.0000 52058.2464 -109367.1132 299.1795 -161425.3596 -109001.2229 299.9815 -105.7410 -78.7190 760619.1412 7.0918 7.1666 PRESSURE: 529600 146.484 -270.652 286.097 -270.652 141.05 -44.0385 286.096 -44.0379 -81.9145 GPRESSURE: 529600 158.876 -208.901 312.316 -339.651 181.085 56.5485 157.202 -107.713 -66.1463 PRESSAVG: 529600 2.90675 -48.1794 41.3213 -48.1794 5.91766 -61.6161 41.3214 -61.6161 2.99592 GPRESSAVG: 529600 1.39242 -48.4211 43.5846 -51.3679 6.66442 -60.1577 40.3894 -61.9218 3.94605 TIMING: 529600 CPU: 1667.59, 0.00313005/step Wall: 1667.59, 0.00313005/step, 3.88682 hours remaining, 233.664062 MB of memory in use. ENERGY: 529600 3920.7822 20460.1137 14479.1476 251.7185 -203368.7709 2554.0757 0.0000 0.0000 52394.7896 -109308.1435 301.1136 -161702.9331 -108942.7030 300.1396 68.5399 91.2715 760989.6043 3.9401 4.0010 PRESSURE: 529800 -599.637 14.8112 -191.367 14.8116 -480.816 -169.632 -191.367 -169.632 -444.018 GPRESSURE: 529800 -576.829 -45.4042 -153.053 68.9091 -400.661 -199.371 -168.474 -147.316 -471.311 PRESSAVG: 529800 9.37954 15.1185 0.151388 15.1185 -22.3147 -22.9167 0.151423 -22.9167 13.8557 GPRESSAVG: 529800 9.69887 14.6802 -1.88756 15.6567 -23.1321 -23.88 1.98517 -23.6562 13.8834 TIMING: 529800 CPU: 1668.21, 0.00314294/step Wall: 1668.21, 0.00314294/step, 3.90266 hours remaining, 233.664062 MB of memory in use. ENERGY: 529800 4018.9297 20555.3031 14472.5445 238.7069 -202989.6493 2221.1794 0.0000 0.0000 52108.3114 -109374.6742 299.4672 -161482.9856 -109007.4204 299.5883 -508.1571 -482.9336 761418.7290 0.3068 0.1500 PRESSURE: 530000 206.49 -30.3009 -14.2442 -30.302 391.946 -69.5029 -14.2442 -69.504 418.131 GPRESSURE: 530000 253.906 -22.6195 -95.5848 19.539 504.593 -141.973 0.94654 106.923 365.54 PRESSAVG: 530000 -39.8379 -40.5138 -18.104 -40.5138 73.6773 -9.54945 -18.1041 -9.54952 -5.09419 GPRESSAVG: 530000 -41.1428 -39.8337 -19.3698 -39.1842 75.6204 -9.81115 -17.1765 -7.40207 -6.05197 TIMING: 530000 CPU: 1668.84, 0.00312586/step Wall: 1668.84, 0.00312586/step, 3.88128 hours remaining, 233.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 530000 3940.8644 20557.3844 14431.3842 240.7482 -203318.2893 2776.0501 0.0000 0.0000 52140.0991 -109231.7589 299.6499 -161371.8580 -108867.6630 299.9495 338.8559 374.6797 760192.0985 9.5817 9.4752 PRESSURE: 530200 -379.98 23.8376 220.393 23.838 -152.113 -38.1251 220.393 -38.1245 -289.84 GPRESSURE: 530200 -388.396 134.692 275.144 46.2011 -93.1285 -78.7976 100.013 16.2657 -244.45 PRESSAVG: 530200 -36.9497 -21.3975 14.0765 -21.3975 77.3772 -2.9271 14.0766 -2.9271 -0.688142 GPRESSAVG: 530200 -35.2133 -22.7545 17.4019 -23.4964 74.4434 -4.58839 13.1069 -4.27868 0.698663 TIMING: 530200 CPU: 1669.47, 0.0031513/step Wall: 1669.47, 0.0031513/step, 3.91269 hours remaining, 233.664062 MB of memory in use. ENERGY: 530200 3992.8522 20591.0416 14415.8938 246.3883 -202883.4927 2182.0542 0.0000 0.0000 51988.6268 -109466.6357 298.7794 -161455.2625 -109118.2705 299.3711 -273.9774 -241.9915 761628.0719 13.2464 13.3096 PRESSURE: 530400 -50.2388 -18.7089 -216.052 -18.7086 302.855 64.1601 -216.051 64.16 -96.5522 GPRESSURE: 530400 -57.2477 -13.441 -202.843 101.328 399.189 152.918 -239.074 143.098 -101.497 PRESSAVG: 530400 -49.9149 -19.5187 -28.7981 -19.5187 62.0859 63.2507 -28.798 63.2506 0.750478 GPRESSAVG: 530400 -51.0029 -19.6546 -29.8873 -18.2812 63.3122 64.9749 -29.0509 66.1562 0.0425626 TIMING: 530400 CPU: 1670.1, 0.00313836/step Wall: 1670.1, 0.00313836/step, 3.89645 hours remaining, 233.664062 MB of memory in use. ENERGY: 530400 3967.6087 20388.1941 14455.0860 233.7623 -203077.0658 2425.0435 0.0000 0.0000 52034.0786 -109573.2926 299.0406 -161607.3712 -109207.8088 299.0835 52.0214 80.1482 762182.9857 4.3072 4.1173 PRESSURE: 530600 -135.953 -222.983 115.29 -222.983 -3.12048 -309.144 115.291 -309.144 162.133 GPRESSURE: 530600 -64.6328 -292.421 163.092 -262.021 45.175 -320.481 187.217 -299.474 142.871 PRESSAVG: 530600 -6.91469 5.12511 -20.263 5.12505 45.3916 20.515 -20.263 20.5151 0.764867 GPRESSAVG: 530600 -6.54705 5.30979 -21.321 5.9259 44.6175 20.1971 -18.6469 17.3511 0.424691 TIMING: 530600 CPU: 1670.73, 0.00314076/step Wall: 1670.73, 0.00314076/step, 3.89925 hours remaining, 233.664062 MB of memory in use. ENERGY: 530600 4025.0001 20349.5535 14467.0645 232.1390 -203831.6047 3033.8564 0.0000 0.0000 52230.6654 -109493.3257 300.1704 -161723.9912 -109127.1205 299.2472 7.6865 41.1379 760857.7624 13.0806 12.8317 PRESSURE: 530800 -283.643 152.528 -51.666 152.528 -216.988 70.0679 -51.6663 70.0692 -265.948 GPRESSURE: 530800 -313.968 27.6825 -67.2153 71.6888 -104.319 142.521 -43.4402 72.7326 -244.08 PRESSAVG: 530800 -38.1303 14.6891 1.16854 14.689 67.0495 22.5637 1.16861 22.5637 -15.3385 GPRESSAVG: 530800 -37.8893 16.0761 1.42228 12.9282 67.9194 22.7685 -1.81212 24.091 -16.2267 TIMING: 530800 CPU: 1671.36, 0.0031573/step Wall: 1671.36, 0.0031573/step, 3.91962 hours remaining, 233.664062 MB of memory in use. ENERGY: 530800 4001.0756 20397.8379 14355.5704 239.6384 -202969.3708 2247.3203 0.0000 0.0000 52165.5944 -109562.3336 299.7964 -161727.9280 -109202.7624 299.2956 -255.5262 -220.7891 761554.3643 4.5269 4.6011 PRESSURE: 531000 337.916 -4.73397 160.831 -4.73407 206.051 164.334 160.83 164.335 -379.471 GPRESSURE: 531000 328.273 -116.307 201.582 -8.08584 234.102 154.167 65.375 208.517 -294.451 PRESSAVG: 531000 14.8178 -23.5525 -7.45318 -23.5526 9.01974 69.9726 -7.45326 69.9727 -6.59073 GPRESSAVG: 531000 14.8558 -25.2632 -6.65307 -22.0721 9.33527 71.4753 -7.64203 69.557 -6.97594 TIMING: 531000 CPU: 1671.99, 0.00314597/step Wall: 1671.99, 0.00314597/step, 3.90537 hours remaining, 233.664062 MB of memory in use. ENERGY: 531000 3923.9706 20561.9498 14436.0333 232.4373 -203171.9605 2414.1290 0.0000 0.0000 52149.2180 -109454.2224 299.7023 -161603.4404 -109090.6178 299.0343 54.8322 89.3078 760413.6070 5.7489 5.7384 PRESSURE: 531200 -326.393 -141.437 107.993 -141.437 -218.362 121.453 107.992 121.453 -72.8959 GPRESSURE: 531200 -236.36 -49.1643 203.09 -165.407 -216.364 88.1797 72.9624 66.2614 -63.8837 PRESSAVG: 531200 -27.6799 -22.2964 8.04571 -22.2963 13.8819 23.9532 8.04568 23.9532 2.14709 GPRESSAVG: 531200 -28.4649 -23.5491 7.94079 -22.3876 13.162 21.7315 8.75638 24.0683 3.61208 TIMING: 531200 CPU: 1672.62, 0.00314793/step Wall: 1672.62, 0.00314793/step, 3.90763 hours remaining, 233.664062 MB of memory in use. ENERGY: 531200 4049.1326 20484.2173 14443.2832 248.9247 -203345.4710 2389.3865 0.0000 0.0000 52154.0931 -109576.4336 299.7303 -161730.5266 -109205.1459 299.6324 -205.8836 -172.2024 761425.2210 -3.8836 -3.8969 PRESSURE: 531400 123.822 -77.2498 -33.868 -77.2495 93.4641 116.934 -33.8677 116.934 77.8128 GPRESSURE: 531400 118.737 -101.09 -0.293502 -105.791 74.8534 137.726 82.665 144.488 174.508 PRESSAVG: 531400 28.1853 14.7785 -1.33885 14.7786 -41.9832 41.256 -1.33883 41.256 -2.18215 GPRESSAVG: 531400 27.6868 16.4214 -0.746624 14.714 -42.0794 41.1577 -2.00903 43.9397 -1.91494 TIMING: 531400 CPU: 1673.24, 0.00313479/step Wall: 1673.24, 0.00313479/step, 3.89114 hours remaining, 233.664062 MB of memory in use. ENERGY: 531400 4047.8405 20601.7862 14457.1369 240.7895 -203156.8731 2324.5777 0.0000 0.0000 51889.0038 -109595.7385 298.2068 -161484.7423 -109242.6926 299.3378 98.3664 122.6993 760438.2952 -5.3267 -5.4358 PRESSURE: 531600 215.276 -201.965 101.676 -201.965 64.6456 -149.599 101.676 -149.6 -54.1049 GPRESSURE: 531600 327.237 -292.286 63.4579 -179.8 -54.0903 -79.6935 128.87 -158.409 53.8856 PRESSAVG: 531600 50.497 17.2234 -8.43027 17.2234 -10.4544 -59.7853 -8.43029 -59.7854 8.51464 GPRESSAVG: 531600 50.2157 19.5742 -10.5901 16.7802 -10.2798 -60.9274 -6.07848 -61.138 8.98847 TIMING: 531600 CPU: 1673.87, 0.00315188/step Wall: 1673.87, 0.00315188/step, 3.91218 hours remaining, 233.664062 MB of memory in use. ENERGY: 531600 3969.8028 20458.1242 14512.4664 240.7382 -203446.3819 2451.4680 0.0000 0.0000 52103.8908 -109709.8915 299.4418 -161813.7824 -109345.7399 298.7994 75.2724 109.0109 759854.7384 16.1857 16.3081 PRESSURE: 531800 -129.707 -189.048 257.525 -189.049 -112.571 52.4438 257.524 52.4445 42.312 GPRESSURE: 531800 -8.57213 -246.437 190.606 -197.434 -173.055 17.4813 270.156 59.7078 40.4847 PRESSAVG: 531800 0.470741 -9.76408 -56.1992 -9.76406 16.0084 22.5086 -56.1992 22.5086 15.1991 GPRESSAVG: 531800 0.902383 -11.835 -55.1237 -8.85635 15.8335 23.0747 -56.7516 22.1191 14.535 TIMING: 531800 CPU: 1674.5, 0.00314442/step Wall: 1674.5, 0.00314442/step, 3.90275 hours remaining, 233.664062 MB of memory in use. ENERGY: 531800 4011.0997 20512.9939 14431.6658 257.8117 -203836.6349 2616.3707 0.0000 0.0000 52217.2394 -109789.4537 300.0932 -162006.6932 -109436.8756 298.8449 -66.6552 -47.0474 759212.2129 10.5594 10.4236 PRESSURE: 532000 94.1619 -76.2223 199.008 -76.2228 -233.787 -305.628 199.008 -305.627 -290.692 GPRESSURE: 532000 75.5052 36.072 161.694 -109.154 -142.975 -185.167 253.845 -194.386 -282.082 PRESSAVG: 532000 -16.2133 10.2351 -13.9004 10.2351 22.2138 -43.1564 -13.9003 -43.1564 10.5879 GPRESSAVG: 532000 -16.0845 10.3194 -12.9272 8.91835 22.4072 -40.7141 -12.5421 -43.6508 10.3735 TIMING: 532000 CPU: 1675.13, 0.0031396/step Wall: 1675.13, 0.0031396/step, 3.89659 hours remaining, 233.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 532000 3954.1341 20454.6976 14432.5228 263.1773 -203369.9640 2475.0045 0.0000 0.0000 51839.0945 -109951.3333 297.9200 -161790.4278 -109583.0424 298.5869 -143.4390 -116.5174 759621.0491 5.5294 5.5654 PRESSURE: 532200 -120.264 29.6748 -23.3251 29.6749 -161.841 148.845 -23.3251 148.846 -194.914 GPRESSURE: 532200 -182.751 -42.4064 -6.19162 55.5376 -138.78 180.443 -151.768 102.777 -69.4514 PRESSAVG: 532200 -36.7815 -55.7516 4.33219 -55.7516 -23.7673 -21.6814 4.33224 -21.6815 -12.9789 GPRESSAVG: 532200 -36.7077 -55.1641 3.7799 -54.8063 -23.5232 -23.306 1.47997 -20.7799 -13.5294 TIMING: 532200 CPU: 1675.76, 0.00313354/step Wall: 1675.76, 0.00313354/step, 3.8889 hours remaining, 233.664062 MB of memory in use. ENERGY: 532200 3978.2181 20450.7442 14490.8731 255.2016 -203421.0079 2530.5927 0.0000 0.0000 52067.1525 -109648.2257 299.2306 -161715.3782 -109276.7104 298.1648 -159.0064 -130.3274 762223.9443 -24.5092 -24.5868 LDB: ============= START OF LOAD BALANCING ============== 1688.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1688.15 LDB: =============== DONE WITH MIGRATION ================ 1688.16 LDB: ============= START OF LOAD BALANCING ============== 1688.47 LDB: Largest compute 7031 load 0.031062 is 15.9% of average load 0.195724 LDB: Average compute 0.004354 is 2.2% of average load 0.195724 LDB: TIME 1688.47 LOAD: AVG 0.195724 MAX 0.21551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.219 MB LDB: TIME 1688.47 LOAD: AVG 0.195724 MAX 0.21551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.461 MB LDB: TIME 1688.47 LOAD: AVG 0.195724 MAX 0.21551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.461 MB LDB: ============== END OF LOAD BALANCING =============== 1688.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1688.48 PRESSURE: 532400 -217.521 -223.877 -259.474 -223.877 -451.656 229.447 -259.474 229.447 -355.544 GPRESSURE: 532400 -210.577 -203.734 -174.51 -141.625 -403.694 194.64 -213 232.546 -331.365 PRESSAVG: 532400 -23.3306 -19.896 -17.8683 -19.896 50.2989 13.3473 -17.8684 13.3472 15.6125 GPRESSAVG: 532400 -23.9135 -18.4132 -16.9563 -20.6929 49.5272 13.9734 -16.176 11.529 16.6285 TIMING: 532400 CPU: 1676.4, 0.00321351/step Wall: 1676.4, 0.00321351/step, 3.98797 hours remaining, 233.093750 MB of memory in use. ENERGY: 532400 3949.3064 20525.4636 14441.2301 239.9833 -203101.8956 2201.8443 0.0000 0.0000 51923.3251 -109820.7429 298.4041 -161744.0680 -109447.8916 298.8069 -341.5737 -315.2121 761477.9314 14.1936 14.0807 PRESSURE: 532600 242.515 55.7252 254.836 55.7253 -59.5706 125.106 254.835 125.106 15.4519 GPRESSURE: 532600 249.517 6.83323 116.441 54.727 34.7472 66.3803 307.193 74.5191 0.850665 PRESSAVG: 532600 -73.3882 -26.4428 32.6349 -26.4428 65.8652 23.6306 32.6349 23.6307 3.9366 GPRESSAVG: 532600 -73.994 -26.6377 31.3961 -27.3799 66.5155 24.7979 33.2459 22.9317 3.66276 TIMING: 532600 CPU: 1677.03, 0.00314874/step Wall: 1677.03, 0.00314874/step, 3.90741 hours remaining, 233.335938 MB of memory in use. ENERGY: 532600 4035.6271 20500.8109 14440.8811 240.7298 -203356.5982 2434.1909 0.0000 0.0000 52123.2095 -109581.1489 299.5528 -161704.3584 -109235.9971 299.3264 66.1321 95.0384 760330.1041 -1.1954 -1.2719 PRESSURE: 532800 -137.079 83.1167 250.518 83.1175 -9.46915 -24.8446 250.518 -24.8444 320.765 GPRESSURE: 532800 -73.4069 180.489 342.996 69.6623 11.8085 -78.1638 62.563 -51.3043 334.071 PRESSAVG: 532800 -31.2915 5.14346 -9.74101 5.14343 17.667 10.2546 -9.74101 10.2546 5.60713 GPRESSAVG: 532800 -30.8861 3.5564 -9.0021 4.20934 17.8728 8.4637 -11.0168 13.23 5.21915 TIMING: 532800 CPU: 1677.66, 0.00314469/step Wall: 1677.66, 0.00314469/step, 3.90221 hours remaining, 233.335938 MB of memory in use. ENERGY: 532800 4001.2457 20478.9680 14407.6520 271.3751 -203388.9260 2474.8408 0.0000 0.0000 52173.9621 -109580.8823 299.8445 -161754.8444 -109214.1201 299.8457 58.0723 90.8241 761570.1577 -2.6724 -2.5980 PRESSURE: 533000 288.968 175.757 -222.581 175.756 -52.2204 -111.358 -222.582 -111.357 -99.2175 GPRESSURE: 533000 213.679 119.769 -291.411 150.223 36.2804 -105.546 -307.397 -152.758 -32.1751 PRESSAVG: 533000 -49.2602 35.1669 11.3063 35.167 40.7076 -25.7152 11.3064 -25.7152 -9.45617 GPRESSAVG: 533000 -48.9826 34.6558 11.0491 38.5902 40.5834 -26.5644 8.28421 -27.0172 -9.96199 TIMING: 533000 CPU: 1678.28, 0.00313253/step Wall: 1678.28, 0.00313253/step, 3.88695 hours remaining, 233.335938 MB of memory in use. ENERGY: 533000 3974.0471 20500.9689 14433.5657 257.3885 -203599.9869 2540.4999 0.0000 0.0000 52311.5013 -109582.0155 300.6349 -161893.5168 -109224.2568 299.1577 45.8434 72.5947 760774.7594 -6.0029 -6.1204 PRESSURE: 533200 -135.573 -1.6541 -59.7382 -1.65424 -215.586 115.207 -59.7375 115.206 -51.475 GPRESSURE: 533200 -142.93 -36.8195 -103.753 48.0858 -105.208 128.407 -115.2 114.77 -80.0402 PRESSAVG: 533200 38.3449 -17.2195 -50.549 -17.2195 -11.5598 6.56909 -50.549 6.56907 -16.1379 GPRESSAVG: 533200 37.6863 -16.0763 -51.9246 -18.8928 -11.8518 8.04393 -47.8604 7.73612 -15.393 TIMING: 533200 CPU: 1678.91, 0.00312069/step Wall: 1678.91, 0.00312069/step, 3.87208 hours remaining, 233.335938 MB of memory in use. ENERGY: 533200 3927.1489 20542.9999 14419.6618 242.1775 -203230.4869 2479.4481 0.0000 0.0000 51984.9359 -109634.1148 298.7581 -161619.0508 -109271.8207 299.1486 -134.2111 -109.3927 763530.9834 3.5490 3.4805 PRESSURE: 533400 195.334 -146.406 -6.67799 -146.407 30.3498 50.6819 -6.67847 50.6824 197.137 GPRESSURE: 533400 211.113 -113.699 57.4232 -176.276 3.55107 82.1678 16.4639 6.58543 266.786 PRESSAVG: 533400 -22.858 -20.9191 31.0656 -20.9191 9.3196 -7.48289 31.0656 -7.48287 -9.43639 GPRESSAVG: 533400 -23.5772 -20.4009 31.5485 -20.5542 9.49058 -7.65152 33.0938 -10.1861 -9.52248 TIMING: 533400 CPU: 1679.53, 0.00312163/step Wall: 1679.53, 0.00312163/step, 3.87307 hours remaining, 233.335938 MB of memory in use. ENERGY: 533400 3928.3878 20659.0177 14431.5241 239.2918 -203590.0595 2647.5063 0.0000 0.0000 51896.2573 -109788.0745 298.2485 -161684.3318 -109426.8882 298.3108 140.9404 160.4832 760208.0318 -7.6583 -7.8697 PRESSURE: 533600 152.867 -49.8223 124.942 -49.8221 69.0119 -64.735 124.941 -64.7353 212.296 GPRESSURE: 533600 193.926 -59.3346 121.008 -10.1868 141.661 -9.74484 53.8889 -42.1543 185.627 PRESSAVG: 533600 36.3735 19.278 6.1671 19.2779 27.1598 5.25112 6.16707 5.25119 -6.56763 GPRESSAVG: 533600 36.4939 19.0449 5.37183 17.3151 26.7792 6.48274 6.08853 6.6289 -6.20327 TIMING: 533600 CPU: 1680.16, 0.00314165/step Wall: 1680.16, 0.00314166/step, 3.89775 hours remaining, 233.335938 MB of memory in use. ENERGY: 533600 3941.2791 20518.5847 14382.0820 232.2384 -203371.8279 2497.8302 0.0000 0.0000 52128.0916 -109671.7218 299.5809 -161799.8134 -109305.5839 298.7728 144.7252 173.7383 761563.5977 18.9885 19.0233 PRESSURE: 533800 159.116 164.132 101.067 164.132 45.621 13.3564 101.067 13.3561 427.955 GPRESSURE: 533800 150.404 172.596 58.9688 89.9314 90.5924 -64.9877 49.2984 -49.9849 484.568 PRESSAVG: 533800 -1.78125 2.16758 8.54613 2.16758 -24.0784 14.3283 8.54617 14.3282 5.10801 GPRESSAVG: 533800 -1.13616 0.228883 8.90233 4.17692 -23.4898 10.6564 8.75896 15.4405 4.15079 TIMING: 533800 CPU: 1680.79, 0.00312377/step Wall: 1680.79, 0.00312377/step, 3.87539 hours remaining, 233.335938 MB of memory in use. ENERGY: 533800 3962.8755 20378.6146 14468.9862 235.9234 -203450.7722 2692.1168 0.0000 0.0000 52118.3396 -109593.9159 299.5248 -161712.2556 -109235.4233 299.1685 210.8973 241.8547 760108.9751 -6.9172 -6.8251 PRESSURE: 534000 -61.5432 143.913 -11.0363 143.912 351.719 -229.391 -11.0359 -229.392 -205.934 GPRESSURE: 534000 -42.7625 105.15 -11.9592 281.876 381.181 -249.41 -59.7876 -83.1222 -171.517 PRESSAVG: 534000 -3.01107 14.1038 5.08841 14.1038 33.3517 19.5587 5.08844 19.5587 -6.5259 GPRESSAVG: 534000 -2.42642 15.1343 5.40431 16.2316 33.0887 21.2539 2.26091 20.9059 -7.25897 TIMING: 534000 CPU: 1681.41, 0.00313246/step Wall: 1681.41, 0.00313246/step, 3.88599 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 534000 3970.9237 20538.2253 14463.4802 247.4425 -203453.3750 2749.5706 0.0000 0.0000 52247.0932 -109236.6395 300.2648 -161483.7327 -108877.9579 299.7377 28.0806 55.6341 760773.6547 7.9383 7.8011 PRESSURE: 534200 200.614 -177.071 -80.1733 -177.072 -212.505 8.11434 -80.174 8.11463 -120.109 GPRESSURE: 534200 112.162 -114.151 -104.524 -170.357 -148.217 29.113 -28.1739 -45.7269 -19.9148 PRESSAVG: 534200 31.1615 1.93729 11.5418 1.93731 -0.842104 2.09181 11.5418 2.09183 -4.27301 GPRESSAVG: 534200 29.6473 1.47142 11.6888 0.575599 -0.986152 1.50801 12.4158 0.637995 -2.97181 TIMING: 534200 CPU: 1682.04, 0.00313487/step Wall: 1682.04, 0.00313487/step, 3.88881 hours remaining, 233.335938 MB of memory in use. ENERGY: 534200 4031.2261 20596.9696 14416.1690 234.5010 -203473.9001 2450.3419 0.0000 0.0000 52289.5846 -109455.1080 300.5090 -161744.6926 -109089.3406 299.6641 -44.0001 -18.6567 760547.3983 8.6821 8.5631 PRESSURE: 534400 59.7598 -186.68 -85.4858 -186.679 78.0255 -143.359 -85.4847 -143.359 361.631 GPRESSURE: 534400 109.669 -272.688 -44.6871 -104.765 180.861 -201.347 -95.0863 -54.8421 297.565 PRESSAVG: 534400 38.9523 -16.2891 32.8512 -16.2891 15.6882 8.30807 32.8511 8.30818 -6.29606 GPRESSAVG: 534400 39.308 -17.3096 33.867 -16.2883 16.5311 8.34787 33.1785 6.89968 -7.60377 TIMING: 534400 CPU: 1682.67, 0.00315307/step Wall: 1682.67, 0.00315307/step, 3.9112 hours remaining, 233.335938 MB of memory in use. ENERGY: 534400 3939.2012 20647.3622 14381.1135 262.2829 -203346.9022 2589.7152 0.0000 0.0000 51816.3136 -109710.9137 297.7891 -161527.2273 -109356.7349 299.6553 166.4720 196.0315 761462.3911 16.1148 16.0784 PRESSURE: 534600 -74.328 -51.9807 70.436 -51.9814 173.866 -25.8734 70.4354 -25.8729 328.093 GPRESSURE: 534600 -71.9554 53.2081 165.203 -43.406 148.228 -61.1585 24.4879 63.5747 421.491 PRESSAVG: 534600 5.4624 36.5252 12.3795 36.5252 -12.7416 -43.9804 12.3795 -43.9804 -3.95377 GPRESSAVG: 534600 5.92412 37.5803 12.1585 34.0771 -13.5485 -43.5536 11.7103 -41.6658 -3.59661 TIMING: 534600 CPU: 1683.3, 0.00314454/step Wall: 1683.3, 0.00314455/step, 3.90046 hours remaining, 233.335938 MB of memory in use. ENERGY: 534600 3992.8263 20435.4019 14531.7861 247.1831 -203549.9827 2622.8029 0.0000 0.0000 52003.0555 -109716.9270 298.8623 -161719.9825 -109355.7218 299.2032 142.5435 165.9213 761117.4542 -3.7443 -3.7403 PRESSURE: 534800 -113.193 206.92 -9.21617 206.921 43.3143 -7.70354 -9.21576 -7.70423 214.193 GPRESSURE: 534800 -3.11923 172.712 -37.6248 174.189 57.1535 2.07611 -40.3772 -46.3291 178.812 PRESSAVG: 534800 0.175509 34.7579 15.0315 34.758 23.1689 -34.2019 15.0315 -34.202 -10.5376 GPRESSAVG: 534800 0.749484 33.9674 14.7473 35.8932 22.4234 -35.3396 17.2398 -35.8063 -10.4283 TIMING: 534800 CPU: 1683.93, 0.00313109/step Wall: 1683.93, 0.00313109/step, 3.8836 hours remaining, 233.335938 MB of memory in use. ENERGY: 534800 3965.2016 20534.7678 14474.3781 228.4942 -203536.1757 2781.3624 0.0000 0.0000 51892.5833 -109659.3882 298.2274 -161551.9716 -109303.4815 299.0929 48.1050 77.6154 761094.4180 4.2689 4.2482 PRESSURE: 535000 10.0709 -138.015 -137.121 -138.016 -183.242 393.553 -137.121 393.553 -362.249 GPRESSURE: 535000 121.655 -86.6544 -85.7223 -183.432 -198.396 435.984 -201.757 279.083 -350.865 PRESSAVG: 535000 -68.1723 27.6203 28.9436 27.6203 31.6279 -23.4914 28.9436 -23.4914 0.255446 GPRESSAVG: 535000 -67.9803 31.0832 27.7712 27.9298 32.0428 -21.8868 26.3671 -22.8965 0.315083 TIMING: 535000 CPU: 1684.55, 0.00312373/step Wall: 1684.55, 0.00312373/step, 3.87429 hours remaining, 233.335938 MB of memory in use. ENERGY: 535000 3961.6246 20355.1957 14448.0902 261.0089 -203067.6066 2346.1187 0.0000 0.0000 52118.1959 -109577.3725 299.5240 -161695.5685 -109206.1946 299.5034 -178.4734 -142.5352 762367.8239 -12.0963 -11.8741 PRESSURE: 535200 -41.9247 262.52 15.1346 262.52 -85.8286 132.782 15.1352 132.783 53.8263 GPRESSURE: 535200 11.8701 290.666 34.7215 181.288 -20.1466 169.222 83.6462 101.182 15.6314 PRESSAVG: 535200 -48.8668 49.8269 39.5935 49.8269 23.7986 18.8747 39.5935 18.8747 -7.66527 GPRESSAVG: 535200 -49.1845 48.5341 41.2399 49.9029 23.7395 19.2546 39.9362 18.332 -7.2413 TIMING: 535200 CPU: 1685.17, 0.00310988/step Wall: 1685.17, 0.00310988/step, 3.85694 hours remaining, 233.335938 MB of memory in use. ENERGY: 535200 3889.8930 20652.3317 14459.2861 263.0667 -203238.9810 2382.7725 0.0000 0.0000 51979.2619 -109612.3690 298.7255 -161591.6310 -109250.8947 299.1908 -24.6424 2.4516 760356.8265 -10.9111 -10.8954 PRESSURE: 535400 -137.114 93.9617 -1.15908 93.9618 -17.3131 26.0384 -1.15884 26.0382 8.55536 GPRESSURE: 535400 -69.3018 59.9881 32.8064 147.542 -33.9099 70.324 24.8265 84.1771 54.4095 PRESSAVG: 535400 -10.8409 33.0413 -8.06688 33.0413 -4.6756 -58.1023 -8.06696 -58.1023 31.5198 GPRESSAVG: 535400 -11.4237 32.847 -8.94122 32.556 -4.57633 -59.2565 -7.3852 -56.2883 32.1723 TIMING: 535400 CPU: 1685.8, 0.00312954/step Wall: 1685.8, 0.00312954/step, 3.88116 hours remaining, 233.335938 MB of memory in use. ENERGY: 535400 3997.4761 20516.2873 14388.5529 257.4565 -203511.4581 2714.8341 0.0000 0.0000 52000.3941 -109636.4572 298.8470 -161636.8513 -109268.1688 298.9217 -48.6239 -16.2674 761266.0885 5.3344 5.3907 PRESSURE: 535600 -38.4152 -221.401 5.10238 -221.402 -289.13 -60.5579 5.1016 -60.558 79.3141 GPRESSURE: 535600 -0.760937 -218.15 78.9155 -279.084 -239.318 -81.1637 -29.7535 -113.686 90.0678 PRESSAVG: 535600 -13.724 34.6308 14.6822 34.6308 41.8725 -54.6297 14.6822 -54.6296 5.47286 GPRESSAVG: 535600 -14.5468 32.245 14.9635 34.4481 42.3091 -53.7712 13.3843 -56.1388 5.1705 TIMING: 535600 CPU: 1686.42, 0.00312626/step Wall: 1686.42, 0.00312626/step, 3.87691 hours remaining, 233.335938 MB of memory in use. ENERGY: 535600 3998.8302 20405.2709 14467.7250 251.9810 -203486.9990 2584.2641 0.0000 0.0000 52102.9161 -109676.0117 299.4362 -161778.9278 -109318.7239 299.1297 -82.7436 -50.0037 761628.7335 11.2071 10.9776 PRESSURE: 535800 133.209 249.49 1.13135 249.49 278.447 -6.76668 1.13202 -6.76846 -314.59 GPRESSURE: 535800 190.052 122.317 3.72401 239.876 279.046 -51.8471 -9.13664 150.242 -268.882 PRESSAVG: 535800 4.43529 11.1624 -21.2455 11.1624 21.5034 -71.1151 -21.2455 -71.115 -3.18086 GPRESSAVG: 535800 6.45133 14.0374 -21.0801 10.4025 20.478 -73.7892 -22.3816 -69.5767 -3.85603 TIMING: 535800 CPU: 1687.05, 0.00312616/step Wall: 1687.05, 0.00312616/step, 3.87661 hours remaining, 233.335938 MB of memory in use. ENERGY: 535800 3997.4656 20282.2658 14448.7354 233.5679 -203704.1360 2837.1681 0.0000 0.0000 52078.7906 -109826.1426 299.2975 -161904.9332 -109451.1560 298.9749 32.3555 66.7387 760092.8559 7.5859 7.6911 PRESSURE: 536000 -222.443 176.393 172.178 176.393 -177.887 -107.647 172.178 -107.647 69.9546 GPRESSURE: 536000 -200.28 107.017 169.445 284.006 -133.233 -166.988 165.678 -68.3358 98.5792 PRESSAVG: 536000 31.3514 10.2502 -19.9664 10.2502 -13.4195 -0.111852 -19.9664 -0.111847 -27.1284 GPRESSAVG: 536000 29.7575 6.96262 -20.023 13.481 -12.7018 1.16656 -17.2688 -0.438492 -26.2926 TIMING: 536000 CPU: 1687.67, 0.00312208/step Wall: 1687.67, 0.00312208/step, 3.87138 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 536000 4077.1702 20410.6048 14413.5412 242.0301 -203022.3871 2264.9449 0.0000 0.0000 51873.7503 -109740.3455 298.1192 -161614.0958 -109381.4179 298.6040 -110.1250 -78.3114 760507.0692 -3.0655 -3.0789 PRESSURE: 536200 -30.2894 -166.465 -246.108 -166.465 -144.737 57.2838 -246.108 57.2827 -104.81 GPRESSURE: 536200 -4.32087 -111.69 -193.824 -259.146 -84.6478 53.1453 -150.724 -68.5734 -97.8594 PRESSAVG: 536200 -15.3591 -85.6833 -45.1685 -85.6833 0.286365 29.4129 -45.1685 29.413 0.553316 GPRESSAVG: 536200 -14.745 -84.7251 -45.9097 -87.3447 0.901391 28.9284 -45.5913 29.4664 -0.501217 TIMING: 536200 CPU: 1688.3, 0.00313319/step Wall: 1688.3, 0.00313319/step, 3.88498 hours remaining, 233.335938 MB of memory in use. ENERGY: 536200 4059.7175 20368.0516 14447.2507 247.5819 -203347.3829 2292.9040 0.0000 0.0000 52125.0417 -109806.8356 299.5633 -161931.8773 -109448.5920 298.9386 -93.2789 -62.2760 759503.6733 -4.8398 -4.7816 LDB: ============= START OF LOAD BALANCING ============== 1700.7 LDB: ============== END OF LOAD BALANCING =============== 1700.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1700.7 LDB: ============= START OF LOAD BALANCING ============== 1701.01 LDB: Largest compute 7078 load 0.030745 is 15.7% of average load 0.195735 LDB: Average compute 0.004360 is 2.2% of average load 0.195735 LDB: TIME 1701.01 LOAD: AVG 0.195735 MAX 0.212446 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.438 MB LDB: TIME 1701.02 LOAD: AVG 0.195735 MAX 0.212446 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.438 MB LDB: TIME 1701.02 LOAD: AVG 0.195735 MAX 0.212446 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.438 MB LDB: ============== END OF LOAD BALANCING =============== 1701.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1701.02 PRESSURE: 536400 -63.3856 92.3898 -69.5918 92.3897 -482.01 14.7449 -69.5927 14.7447 -577.126 GPRESSURE: 536400 -1.27369 177.099 -27.5802 131.375 -467.908 68.9788 -72.1866 -138.175 -568.674 PRESSAVG: 536400 20.217 24.7696 -46.2672 24.7696 -14.1372 24.0255 -46.2672 24.0255 3.37491 GPRESSAVG: 536400 21.0583 25.1963 -45.4338 25.4432 -14.722 24.476 -46.8268 23.6244 4.02866 TIMING: 536400 CPU: 1688.94, 0.00320123/step Wall: 1688.94, 0.00320123/step, 3.96917 hours remaining, 233.710938 MB of memory in use. ENERGY: 536400 4034.2355 20509.9081 14504.6950 260.0305 -203440.8537 2539.3896 0.0000 0.0000 51889.0094 -109703.5856 298.2069 -161592.5950 -109351.7271 298.5844 -374.1740 -345.9519 761800.5755 3.1516 3.4550 PRESSURE: 536600 -71.22 177.294 72.5007 177.294 438.013 -335.108 72.4996 -335.108 27.8783 GPRESSURE: 536600 9.34826 130.199 31.0652 98.1192 457.626 -335.415 102.275 -268.397 14.5548 PRESSAVG: 536600 -12.8762 47.6638 16.7723 47.6638 37.07 -36.4824 16.7723 -36.4823 15.8522 GPRESSAVG: 536600 -13.0751 47.9359 15.507 46.8262 37.3708 -35.2875 14.5675 -36.8157 15.692 TIMING: 536600 CPU: 1689.57, 0.00313066/step Wall: 1689.57, 0.00313066/step, 3.88149 hours remaining, 233.710938 MB of memory in use. ENERGY: 536600 3910.2578 20396.3142 14452.8333 257.9269 -203344.9443 2418.8032 0.0000 0.0000 52069.5566 -109839.2522 299.2445 -161908.8089 -109485.5142 298.9767 131.5572 160.5098 759731.6943 13.3487 13.3293 PRESSURE: 536800 -15.1928 -34.5738 28.6456 -34.5737 70.0745 72.7297 28.6461 72.7301 -62.8122 GPRESSURE: 536800 8.10553 15.6977 94.1877 -70.9464 82.935 150.856 -9.07055 -27.8855 -4.49382 PRESSAVG: 536800 12.0294 37.2529 -4.46162 37.2529 -21.7455 -32.4983 -4.46164 -32.4983 -0.414931 GPRESSAVG: 536800 12.0978 36.3095 -3.92946 38.0989 -22.6731 -33.3526 -2.85663 -31.6472 -0.159464 TIMING: 536800 CPU: 1690.2, 0.00315198/step Wall: 1690.2, 0.00315198/step, 3.90776 hours remaining, 234.113281 MB of memory in use. ENERGY: 536800 4025.6771 20407.2367 14449.8960 252.3470 -203357.0139 2433.7835 0.0000 0.0000 52106.6770 -109681.3966 299.4578 -161788.0736 -109318.3394 298.7558 -2.6435 28.8489 759958.7081 -3.3770 -3.5782 PRESSURE: 537000 70.021 -213.814 179.034 -213.814 -106.618 136.943 179.035 136.944 100.356 GPRESSURE: 537000 104.598 -97.871 218.969 -94.9598 -64.516 109.742 196.25 75.119 119.824 PRESSAVG: 537000 6.48371 24.0918 15.4396 24.0919 -25.6581 -26.0467 15.4396 -26.0467 -14.5968 GPRESSAVG: 537000 6.29229 25.6296 17.1776 24.2124 -24.5683 -24.868 14.0617 -28.0127 -15.0296 TIMING: 537000 CPU: 1690.82, 0.00313347/step Wall: 1690.82, 0.00313347/step, 3.88463 hours remaining, 234.113281 MB of memory in use. ENERGY: 537000 3939.5391 20543.5370 14541.1017 243.1244 -203332.7086 2487.5481 0.0000 0.0000 52171.6349 -109406.2233 299.8311 -161577.8582 -109043.9950 299.4623 21.2532 53.3023 760600.6209 -11.2571 -11.1019 PRESSURE: 537200 -418.555 79.8462 212.737 79.8464 -407.852 8.03523 212.738 8.03581 -242.099 GPRESSURE: 537200 -319.61 76.228 167.075 21.9151 -341.039 -11.3865 148.848 -31.5842 -324.013 PRESSAVG: 537200 -9.58332 -23.6398 14.6043 -23.6397 6.3764 -8.10668 14.6043 -8.10672 13.6806 GPRESSAVG: 537200 -9.93554 -22.2643 12.282 -25.0688 6.4414 -8.05966 15.9042 -7.72025 14.078 TIMING: 537200 CPU: 1691.45, 0.00313461/step Wall: 1691.45, 0.0031346/step, 3.88586 hours remaining, 234.113281 MB of memory in use. ENERGY: 537200 4066.3260 20393.7374 14588.1676 242.3764 -203586.4041 2475.5992 0.0000 0.0000 52274.7367 -109545.4608 300.4236 -161820.1974 -109180.3797 299.8981 -356.1686 -328.2205 760783.4261 3.4912 3.5280 PRESSURE: 537400 274.316 246.432 84.677 246.432 -74.6393 70.4447 84.6772 70.4446 109.216 GPRESSURE: 537400 302.219 240.414 116.145 111.03 -71.4839 102.994 145.736 187.082 147.887 PRESSAVG: 537400 23.7916 19.0657 -2.26362 19.0657 -22.1201 47.9962 -2.26369 47.9962 2.20864 GPRESSAVG: 537400 23.4256 16.794 -1.63969 19.4988 -21.2721 48.033 -0.6818 48.8779 2.06323 TIMING: 537400 CPU: 1692.08, 0.00312903/step Wall: 1692.08, 0.00312903/step, 3.87878 hours remaining, 234.113281 MB of memory in use. ENERGY: 537400 3931.3582 20566.2162 14487.2064 239.2829 -203394.7229 2391.0311 0.0000 0.0000 52234.6471 -109544.9810 300.1932 -161779.6281 -109178.7411 299.5928 102.9641 126.2075 759279.5937 1.2934 1.4055 PRESSURE: 537600 -325.768 87.6616 43.6659 87.6613 -11.6155 -67.6598 43.6664 -67.6599 83.0126 GPRESSURE: 537600 -211.56 7.0308 89.3624 252.623 17.6084 -92.9756 14.5543 -109.872 21.9841 PRESSAVG: 537600 42.8275 -13.9954 31.4844 -13.9954 -23.8762 6.57549 31.4843 6.5756 -9.97811 GPRESSAVG: 537600 43.591 -12.2523 31.7821 -13.726 -25.4185 7.23387 29.7723 5.1857 -9.53431 TIMING: 537600 CPU: 1692.7, 0.00314115/step Wall: 1692.7, 0.00314115/step, 3.89363 hours remaining, 234.113281 MB of memory in use. ENERGY: 537600 4003.3120 20644.7240 14476.4006 255.4182 -203524.1893 2559.0867 0.0000 0.0000 52079.4001 -109505.8476 299.3010 -161585.2477 -109148.7459 299.7388 -84.7902 -57.3225 760629.0368 2.9911 2.8794 PRESSURE: 537800 -131.959 20.3498 128.59 20.351 -224.726 158.489 128.591 158.488 -224.357 GPRESSURE: 537800 -136.305 73.1577 197.179 28.6777 -169.415 162.727 135.863 186.72 -190.321 PRESSAVG: 537800 -42.3657 -36.5391 -6.99827 -36.5392 38.3865 19.7855 -6.99817 19.7855 -16.4747 GPRESSAVG: 537800 -41.3579 -37.9567 -7.70812 -37.4156 38.1931 20.7785 -6.44967 20.6839 -16.9611 TIMING: 537800 CPU: 1693.33, 0.00313476/step Wall: 1693.33, 0.00313476/step, 3.88553 hours remaining, 234.113281 MB of memory in use. ENERGY: 537800 4023.5902 20623.9273 14543.1251 250.9920 -203303.2720 2330.2022 0.0000 0.0000 51855.3023 -109676.1330 298.0131 -161531.4353 -109308.2741 299.6267 -193.6805 -165.3470 760035.8183 -6.8179 -6.7086 PRESSURE: 538000 353.537 44.158 -67.2171 44.1583 296.668 -216.539 -67.2178 -216.538 -205.568 GPRESSURE: 538000 299.598 22.7386 -160.928 -56.4688 319.389 -210.087 -291.942 -160.042 -108.018 PRESSAVG: 538000 -3.79673 -6.20725 -21.5822 -6.20732 17.8659 35.2282 -21.5822 35.2281 -1.96835 GPRESSAVG: 538000 -5.44322 -5.04577 -21.917 -5.65637 18.4132 34.3038 -20.449 36.1757 -0.462492 TIMING: 538000 CPU: 1693.96, 0.00313354/step Wall: 1693.96, 0.00313354/step, 3.88384 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 538000 3946.7366 20530.9639 14548.1345 260.2270 -204136.9646 2983.3297 0.0000 0.0000 52342.2379 -109525.3350 300.8116 -161867.5729 -109155.8348 299.5745 148.2124 170.3232 761148.1328 4.0336 4.1692 PRESSURE: 538200 -6.99354 -158.645 -178.96 -158.645 -34.9012 55.6617 -178.959 55.6622 257.761 GPRESSURE: 538200 -63.3269 -36.6348 -310.701 -158.518 91.8428 68.1457 -214.148 131.622 281.068 PRESSAVG: 538200 -6.50444 -57.8273 -62.3583 -57.8273 -23.9648 -18.7871 -62.3583 -18.7871 9.86775 GPRESSAVG: 538200 -5.56704 -60.4992 -61.4755 -56.7806 -22.7022 -19.3794 -62.6933 -19.0737 8.70948 TIMING: 538200 CPU: 1694.58, 0.00312469/step Wall: 1694.58, 0.00312469/step, 3.8727 hours remaining, 234.113281 MB of memory in use. ENERGY: 538200 4030.0543 20535.1352 14522.8945 230.3975 -204203.8474 2855.3413 0.0000 0.0000 52388.2721 -109641.7527 301.0761 -162030.0247 -109278.7272 299.7828 71.9556 103.1946 758510.0045 -6.8672 -6.5199 PRESSURE: 538400 150.203 154.861 -38.3854 154.862 -24.4683 48.0784 -38.3851 48.0774 -209.124 GPRESSURE: 538400 132.782 152.011 -26.6966 85.8092 -1.75176 -37.2306 19.7004 6.74563 -137.014 PRESSAVG: 538400 7.30542 38.5918 -29.8425 38.5919 -6.99743 12.815 -29.8425 12.815 -13.2634 GPRESSAVG: 538400 7.73997 41.2101 -28.0403 38.3878 -6.56445 12.3121 -30.8542 11.386 -14.1849 TIMING: 538400 CPU: 1695.21, 0.00312472/step Wall: 1695.21, 0.00312472/step, 3.87257 hours remaining, 234.113281 MB of memory in use. ENERGY: 538400 3966.3187 20589.5247 14491.9076 252.6640 -203748.5805 2638.3170 0.0000 0.0000 52101.9474 -109707.9011 299.4306 -161809.8485 -109340.9036 299.2699 -27.7963 -1.9944 760228.2926 -4.3185 -4.3365 PRESSURE: 538600 -154.074 -68.3281 -227.677 -68.3273 139.729 -179.819 -227.678 -179.82 254.602 GPRESSURE: 538600 -59.998 -231.87 -209.609 -66.334 105.716 -209.848 -306.252 -60.4517 294.72 PRESSAVG: 538600 -48.1143 0.496378 -27.7171 0.496314 17.5498 10.343 -27.7171 10.343 12.5998 GPRESSAVG: 538600 -47.1721 -3.23742 -27.8755 2.43854 15.1575 9.85061 -29.4357 11.342 13.657 TIMING: 538600 CPU: 1695.83, 0.0031343/step Wall: 1695.83, 0.0031343/step, 3.88426 hours remaining, 234.113281 MB of memory in use. ENERGY: 538600 3979.4852 20612.2261 14514.8570 254.0678 -203585.8398 2531.8456 0.0000 0.0000 52001.0117 -109692.3465 298.8505 -161693.3582 -109335.7031 299.5645 80.0859 113.4793 761528.1896 -5.9882 -6.1192 PRESSURE: 538800 -206.486 30.6557 168.936 30.656 -275.117 131.564 168.936 131.564 -2.46383 GPRESSURE: 538800 -125.906 -89.9802 118.049 3.14043 -251.91 -0.84481 211.26 120.592 -12.9983 PRESSAVG: 538800 46.1305 -19.6792 -33.9906 -19.6792 -18.9335 -18.2674 -33.9906 -18.2674 4.92551 GPRESSAVG: 538800 45.2499 -18.8327 -35.5778 -20.6382 -17.8031 -18.0672 -30.0451 -18.0116 4.52716 TIMING: 538800 CPU: 1696.46, 0.00313095/step Wall: 1696.46, 0.00313095/step, 3.87995 hours remaining, 234.113281 MB of memory in use. ENERGY: 538800 3989.8441 20482.3666 14472.6917 237.0122 -203387.6636 2386.3926 0.0000 0.0000 52277.4868 -109541.8695 300.4394 -161819.3564 -109185.1250 299.8900 -161.3555 -130.2714 761719.3031 10.7075 10.6580 PRESSURE: 539000 112.993 -21.7665 -79.5524 -21.767 -209.4 194.493 -79.552 194.493 -41.64 GPRESSURE: 539000 43.5502 -16.2938 -148.787 -108.973 -51.8427 103.86 14.2237 206.043 -25.5395 PRESSAVG: 539000 -16.0841 -52.2942 -19.5763 -52.2942 5.38142 42.1764 -19.5763 42.1764 23.3575 GPRESSAVG: 539000 -17.2897 -50.5782 -18.3523 -52.8429 6.40266 41.6829 -19.5839 44.9717 23.3959 TIMING: 539000 CPU: 1697.09, 0.00315287/step Wall: 1697.09, 0.00315287/step, 3.90693 hours remaining, 234.113281 MB of memory in use. ENERGY: 539000 4001.6144 20564.5424 14409.6549 234.6493 -203565.8642 2565.8379 0.0000 0.0000 52274.4686 -109515.0967 300.4221 -161789.5653 -109153.4326 299.8517 -46.0158 -11.2773 761274.8117 4.2183 4.1696 PRESSURE: 539200 164.192 -219.043 -23.3865 -219.042 268.601 103.786 -23.387 103.785 190.359 GPRESSURE: 539200 99.019 -229.042 11.7685 -16.2363 437.918 186.624 35.6831 92.0176 157.317 PRESSAVG: 539200 -13.8725 -64.5426 -2.68814 -64.5426 20.4021 1.52999 -2.68813 1.52995 -2.04475 GPRESSAVG: 539200 -13.9881 -63.9908 -3.94365 -63.8636 19.9946 3.52834 -2.86597 -0.563585 -1.76022 TIMING: 539200 CPU: 1697.72, 0.00313964/step Wall: 1697.72, 0.00313964/step, 3.89036 hours remaining, 234.113281 MB of memory in use. ENERGY: 539200 4005.4986 20554.2689 14441.8545 253.3683 -203564.2363 2716.5695 0.0000 0.0000 51955.9867 -109636.6898 298.5918 -161592.6765 -109277.8025 299.6092 207.7171 231.4181 762482.5471 1.4950 1.4154 PRESSURE: 539400 -240.814 -111.766 212.323 -111.766 -260.838 -183.265 212.323 -183.265 -264.433 GPRESSURE: 539400 -179.006 -21.0574 193.019 -7.502 -139.213 -231.335 287.269 -193.831 -348.325 PRESSAVG: 539400 25.0229 -10.8964 18.8919 -10.8965 -26.466 2.22869 18.8919 2.22862 10.1891 GPRESSAVG: 539400 25.1 -9.84011 20.9215 -12.0557 -25.9654 2.92198 16.1459 1.85615 10.0145 TIMING: 539400 CPU: 1698.35, 0.00313186/step Wall: 1698.35, 0.00313186/step, 3.88055 hours remaining, 234.113281 MB of memory in use. ENERGY: 539400 3939.5109 20535.5688 14468.0393 264.7060 -203541.1817 2573.4781 0.0000 0.0000 52089.7850 -109670.0936 299.3607 -161759.8787 -109300.6545 298.5873 -255.3615 -222.1817 761237.5839 2.9154 3.0497 PRESSURE: 539600 34.6761 172.702 40.6605 172.702 -280.186 -86.6576 40.6611 -86.6577 50.3696 GPRESSURE: 539600 57.8498 165.849 47.9661 -30.2242 -245.857 -65.655 32.6656 -98.4898 94.2264 PRESSAVG: 539600 -4.5822 -52.8651 -2.63407 -52.8651 -2.4929 -64.8575 -2.63411 -64.8574 -13.5616 GPRESSAVG: 539600 -4.29152 -53.6644 -2.79452 -54.2154 -2.7119 -65.9623 -0.00222686 -64.4883 -13.4424 TIMING: 539600 CPU: 1698.97, 0.00313771/step Wall: 1698.97, 0.00313771/step, 3.88762 hours remaining, 234.113281 MB of memory in use. ENERGY: 539600 4058.7751 20528.5121 14465.3832 274.1391 -203390.1204 2439.1102 0.0000 0.0000 52168.9080 -109455.2929 299.8154 -161624.2009 -109101.2920 299.5681 -65.0467 -31.2603 760106.8323 -6.8789 -6.8153 PRESSURE: 539800 22.0136 -117.159 -64.0609 -117.16 -233.461 124.958 -64.0602 124.958 133.834 GPRESSURE: 539800 63.5178 -234.496 -104.312 -196.989 -250.221 90.1131 -43.1278 280.369 190.112 PRESSAVG: 539800 -16.3222 -33.7899 -38.3695 -33.7899 43.0821 -3.85489 -38.3695 -3.85484 -7.88797 GPRESSAVG: 539800 -16.5921 -36.4774 -41.86 -31.1747 43.0055 -3.90489 -37.8545 -3.71331 -7.44972 TIMING: 539800 CPU: 1699.6, 0.00313201/step Wall: 1699.6, 0.00313201/step, 3.88039 hours remaining, 234.113281 MB of memory in use. ENERGY: 539800 3906.7063 20774.5517 14418.7812 239.3013 -203114.2530 2167.0475 0.0000 0.0000 51898.0911 -109709.7739 298.2590 -161607.8649 -109347.4423 299.5556 -25.8712 1.1361 759352.6694 6.2906 6.3212 PRESSURE: 540000 -401.43 266.105 69.5059 266.105 -356.727 -145.426 69.5054 -145.424 -185.336 GPRESSURE: 540000 -355.039 171.012 121.835 244.144 -356.889 -79.1505 -14.1966 -127.68 -145.387 PRESSAVG: 540000 37.351 -41.0632 -39.6724 -41.0633 -41.3511 9.71729 -39.6724 9.71721 12.3397 GPRESSAVG: 540000 37.0046 -39.7565 -35.9426 -43.4913 -41.8179 10.4574 -39.8143 8.04843 13.1582 TIMING: 540000 CPU: 1700.22, 0.00312499/step Wall: 1700.22, 0.00312499/step, 3.87151 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 540000 4033.7136 20593.5415 14434.9823 245.4129 -203365.3959 2587.9278 0.0000 0.0000 51714.3643 -109755.4535 297.2032 -161469.8178 -109398.7950 298.9068 -314.4975 -285.7718 760398.0681 2.7799 2.7817 PRESSURE: 540200 -57.7837 43.0185 56.9899 43.0185 175.87 129.668 56.9907 129.668 39.1384 GPRESSURE: 540200 -13.7708 125.418 -52.4182 78.6901 210.758 137 137.704 36.8038 41.5017 PRESSAVG: 540200 -16.3207 49.6839 -54.0757 49.6839 16.4595 21.4048 -54.0756 21.4048 13.5407 GPRESSAVG: 540200 -17.4974 51.855 -55.9178 51.192 16.7356 21.293 -53.3391 22.5261 14.0382 TIMING: 540200 CPU: 1700.85, 0.00312194/step Wall: 1700.85, 0.00312194/step, 3.86756 hours remaining, 234.113281 MB of memory in use. ENERGY: 540200 3976.8331 20698.3879 14509.0267 249.0376 -203843.2199 2410.4798 0.0000 0.0000 52135.0738 -109864.3811 299.6210 -161999.4549 -109507.7847 299.4347 52.4083 79.4965 758977.0837 4.5598 4.4254 LDB: ============= START OF LOAD BALANCING ============== 1713.24 LDB: ============== END OF LOAD BALANCING =============== 1713.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1713.25 LDB: ============= START OF LOAD BALANCING ============== 1713.56 LDB: Largest compute 7064 load 0.032100 is 16.4% of average load 0.195770 LDB: Average compute 0.004347 is 2.2% of average load 0.195770 LDB: TIME 1713.56 LOAD: AVG 0.19577 MAX 0.215036 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.469 MB LDB: TIME 1713.56 LOAD: AVG 0.19577 MAX 0.215036 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: TIME 1713.56 LOAD: AVG 0.19577 MAX 0.215036 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: ============== END OF LOAD BALANCING =============== 1713.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1713.57 PRESSURE: 540400 -27.0391 89.488 63.671 89.4881 -227.323 61.9215 63.6717 61.9213 200.698 GPRESSURE: 540400 -59.1195 -43.584 63.1457 163.195 -175.896 43.6298 16.2852 -12.4466 253.232 PRESSAVG: 540400 -4.77437 -45.5647 -37.8141 -45.5647 13.537 9.80047 -37.8141 9.80042 -13.3813 GPRESSAVG: 540400 -3.87018 -48.1902 -37.1692 -44.1884 13.4291 9.10461 -38.9945 9.46718 -14.0107 TIMING: 540400 CPU: 1701.49, 0.00319781/step Wall: 1701.49, 0.00319782/step, 3.96138 hours remaining, 233.433594 MB of memory in use. ENERGY: 540400 3952.1016 20546.3767 14483.0915 263.5590 -203721.9770 2478.3994 0.0000 0.0000 52084.3491 -109914.0997 299.3295 -161998.4487 -109558.6956 299.2178 -17.8879 6.0722 759335.8318 -1.5396 -1.4839 PRESSURE: 540600 74.7201 -136.232 213.411 -136.232 9.2013 -178.373 213.411 -178.373 135.941 GPRESSURE: 540600 85.9948 -93.3249 195.242 -19.7993 93.5322 -167.323 162.478 -66.466 130.835 PRESSAVG: 540600 13.2268 -33.5194 -7.24112 -33.5194 -36.1494 3.92725 -7.24105 3.92728 -0.959232 GPRESSAVG: 540600 13.795 -31.8461 -7.06967 -32.6862 -36.637 3.26164 -8.00493 4.64255 -0.805731 TIMING: 540600 CPU: 1702.11, 0.00312206/step Wall: 1702.11, 0.00312206/step, 3.86736 hours remaining, 233.433594 MB of memory in use. ENERGY: 540600 3987.4784 20420.8464 14514.2598 244.1935 -203563.7615 2714.2970 0.0000 0.0000 51849.2927 -109833.3938 297.9786 -161682.6865 -109463.2055 298.3033 73.2874 103.4542 760965.9156 -7.9606 -7.8826 PRESSURE: 540800 89.4008 -1.59368 -222.491 -1.59405 -75.1802 41.0469 -222.491 41.0473 -247.282 GPRESSURE: 540800 117.44 24.8894 -253.813 -57.0209 -50.1695 34.2156 -134.96 52.0301 -224.367 PRESSAVG: 540800 -28.9787 16.0638 19.0644 16.0637 30.4245 59.8241 19.0643 59.8241 0.935025 GPRESSAVG: 540800 -28.6045 16.3986 18.2706 13.8426 30.7698 60.4843 20.0498 58.4288 0.0497886 TIMING: 540800 CPU: 1702.74, 0.00313597/step Wall: 1702.74, 0.00313597/step, 3.88442 hours remaining, 233.433594 MB of memory in use. ENERGY: 540800 3938.3047 20472.3291 14597.5212 237.1100 -203478.0419 2420.3447 0.0000 0.0000 52046.5978 -109765.8345 299.1125 -161812.4323 -109397.0205 298.8778 -77.6873 -52.3654 761029.7025 0.7936 0.7384 PRESSURE: 541000 26.8854 -149.567 -192.284 -149.567 202.551 -151.535 -192.283 -151.534 -96.6702 GPRESSURE: 541000 116.52 -145.963 -236.519 -191.418 178.089 -233.735 -120.752 -8.50073 -62.4449 PRESSAVG: 541000 -16.577 -79.7084 -20.8157 -79.7084 33.0901 -7.2263 -20.8158 -7.22622 -1.80971 GPRESSAVG: 541000 -18.1616 -80.0432 -22.0431 -78.048 33.8242 -9.73245 -21.948 -7.71047 -1.17026 TIMING: 541000 CPU: 1703.37, 0.00313462/step Wall: 1703.37, 0.00313462/step, 3.88258 hours remaining, 233.433594 MB of memory in use. ENERGY: 541000 4003.3891 20412.6677 14535.3421 245.2197 -203792.1798 2875.3365 0.0000 0.0000 52012.2348 -109707.9899 298.9150 -161720.2247 -109354.6472 299.0705 44.2554 77.3882 759026.1144 4.9011 4.8308 PRESSURE: 541200 -102.422 -16.0439 -78.4119 -16.0429 12.1986 0.860355 -78.4115 0.861275 -83.7317 GPRESSURE: 541200 -10.7362 26.7303 -57.7594 135.269 25.8636 -33.6488 -26.9072 -11.5318 -89.8031 PRESSAVG: 541200 4.13853 -69.5292 11.7838 -69.5292 -19.3069 -26.7736 11.7838 -26.7735 -0.132994 GPRESSAVG: 541200 5.12253 -69.756 13.2769 -69.435 -19.3222 -25.6248 14.2676 -26.2174 -1.02687 TIMING: 541200 CPU: 1703.99, 0.00313795/step Wall: 1703.99, 0.00313795/step, 3.88652 hours remaining, 233.433594 MB of memory in use. ENERGY: 541200 3980.6512 20437.2123 14641.6708 268.8270 -203528.0360 2464.4870 0.0000 0.0000 51832.7382 -109902.4495 297.8835 -161735.1877 -109541.0213 298.7084 -57.9852 -24.8919 760704.8689 -5.1004 -5.0755 PRESSURE: 541400 140.629 -67.7927 82.3277 -67.7924 171.331 7.07713 82.3278 7.07889 414.534 GPRESSURE: 541400 170.67 4.16983 131.333 -64.3179 221.069 -131.34 105.84 36.2051 424.493 PRESSAVG: 541400 66.1007 -3.25434 10.8202 -3.25432 3.80882 52.9986 10.8201 52.9987 18.3767 GPRESSAVG: 541400 65.4791 -3.29309 10.5375 -4.87499 3.90652 53.3602 9.2674 54.0997 18.9929 TIMING: 541400 CPU: 1704.62, 0.0031203/step Wall: 1704.62, 0.0031203/step, 3.86449 hours remaining, 233.433594 MB of memory in use. ENERGY: 541400 4074.6144 20444.2291 14405.1447 245.0635 -204023.3356 2855.9841 0.0000 0.0000 52168.3211 -109829.9788 299.8121 -161998.2998 -109473.8527 298.4591 242.1648 272.0773 760125.6358 29.4287 29.4595 PRESSURE: 541600 116.797 -166.498 -147.701 -166.499 18.8666 -30.0823 -147.702 -30.0836 498.153 GPRESSURE: 541600 174.563 -286.021 -165.618 -92.6379 36.2708 -85.9484 -79.2746 89.5723 500.294 PRESSAVG: 541600 8.36442 -15.7016 28.2733 -15.7016 3.91266 25.9458 28.2734 25.9458 36.7014 GPRESSAVG: 541600 8.27343 -16.6361 27.2731 -15.5924 3.30576 26.8269 27.3262 25.5933 37.0657 TIMING: 541600 CPU: 1705.24, 0.0031301/step Wall: 1705.24, 0.0031301/step, 3.87646 hours remaining, 233.433594 MB of memory in use. ENERGY: 541600 3931.8296 20536.5693 14496.8051 225.0459 -203647.9738 2455.8868 0.0000 0.0000 52337.1977 -109664.6394 300.7826 -162001.8370 -109297.0413 298.9556 211.2724 237.0427 758800.5814 16.3262 16.2150 PRESSURE: 541800 70.0255 -32.4081 -44.6649 -32.4076 118.786 267.024 -44.6648 267.023 -256.416 GPRESSURE: 541800 81.4705 109.355 -151.151 -71.5667 159.674 183.175 -57.9651 255.694 -217.331 PRESSAVG: 541800 -3.8402 -12.7523 16.2649 -12.7522 2.79724 3.78875 16.2649 3.78875 -3.14568 GPRESSAVG: 541800 -3.36613 -12.5181 17.8159 -10.867 3.28318 4.55253 15.6752 2.48667 -3.44432 TIMING: 541800 CPU: 1705.87, 0.00314761/step Wall: 1705.87, 0.00314761/step, 3.89797 hours remaining, 233.433594 MB of memory in use. ENERGY: 541800 3930.0378 20697.4965 14559.3984 238.2178 -203573.6781 2644.2515 0.0000 0.0000 51796.6515 -109707.6245 297.6761 -161504.2760 -109344.6823 299.3123 -22.5347 7.9376 761770.5968 -1.3962 -1.1758 PRESSURE: 542000 32.4512 109.07 -229.25 109.07 -57.6951 29.9724 -229.251 29.9717 181.607 GPRESSURE: 542000 84.2434 8.54801 -276.16 161.327 -6.46134 60.4558 -135.882 -107.223 159.233 PRESSAVG: 542000 -32.6683 26.1141 4.60027 26.1142 34.4106 10.8894 4.60033 10.8895 13.7825 GPRESSAVG: 542000 -32.0486 25.493 4.0858 25.1587 34.3754 9.94082 5.01106 9.94327 13.0058 TIMING: 542000 CPU: 1706.51, 0.0031652/step Wall: 1706.51, 0.0031652/step, 3.91957 hours remaining, 233.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 542000 3999.9794 20596.5280 14514.3408 241.9502 -203613.8463 2561.1605 0.0000 0.0000 51775.4626 -109924.4248 297.5543 -161699.8874 -109565.4416 298.8427 52.1211 79.0052 761363.4527 5.1749 5.1109 PRESSURE: 542200 -166.3 -95.4902 -244.007 -95.4911 195.268 -103.25 -244.009 -103.251 -262.901 GPRESSURE: 542200 -94.363 -172.299 -242.307 -23.6497 134.002 -38.9948 -123.352 -39.4604 -188.392 PRESSAVG: 542200 16.561 -28.2718 -6.09553 -28.2719 -20.174 22.7507 -6.09556 22.7506 7.00419 GPRESSAVG: 542200 17.0873 -28.4691 -5.80271 -26.458 -21.4512 21.9449 -2.4035 24.0182 7.11127 TIMING: 542200 CPU: 1707.14, 0.0031465/step Wall: 1707.14, 0.0031465/step, 3.89624 hours remaining, 233.433594 MB of memory in use. ENERGY: 542200 3996.4716 20514.9836 14486.9381 237.9658 -203529.4472 2555.5711 0.0000 0.0000 51762.5250 -109974.9919 297.4799 -161737.5169 -109618.3458 298.9173 -77.9775 -49.5844 761505.3630 1.1304 0.9158 PRESSURE: 542400 22.0536 -76.5307 10.673 -76.5311 -73.0484 -13.135 10.6718 -13.1349 -238.247 GPRESSURE: 542400 34.3624 41.9753 70.6495 -84.7961 -33.3638 28.4909 -38.6841 -198.381 -202.256 PRESSAVG: 542400 -17.1314 -22.24 -63.6991 -22.24 3.81141 29.2476 -63.6992 29.2476 4.26867 GPRESSAVG: 542400 -17.6468 -22.0916 -63.5822 -24.5609 4.38273 30.0729 -65.903 27.8385 4.39929 TIMING: 542400 CPU: 1707.77, 0.00314858/step Wall: 1707.77, 0.00314858/step, 3.89865 hours remaining, 233.433594 MB of memory in use. ENERGY: 542400 3963.4204 20412.5786 14473.2340 234.2846 -203472.3157 2475.7917 0.0000 0.0000 51998.9311 -109914.0752 298.8386 -161913.0063 -109545.3039 298.8370 -96.4141 -67.0858 759751.2944 -3.0171 -2.9549 PRESSURE: 542600 363.916 66.7512 -212.982 66.751 276.794 -7.33984 -212.982 -7.33942 -9.82697 GPRESSURE: 542600 425.714 85.9118 -164.987 92.1606 242.728 54.7386 -217.257 34.4291 48.984 PRESSAVG: 542600 -50.4194 -5.39938 -45.2199 -5.39938 45.9989 49.4501 -45.2199 49.4501 17.8512 GPRESSAVG: 542600 -50.9024 -5.52296 -45.0354 -3.23538 46.2595 48.9276 -47.3484 51.0487 17.9982 TIMING: 542600 CPU: 1708.39, 0.00312219/step Wall: 1708.39, 0.00312219/step, 3.8658 hours remaining, 233.433594 MB of memory in use. ENERGY: 542600 3929.9940 20286.1308 14464.9407 223.6690 -204055.0576 3146.8706 0.0000 0.0000 51856.6652 -110146.7872 298.0210 -162003.4524 -109785.0458 297.9291 210.2943 239.1419 759348.2929 4.4769 4.4518 PRESSURE: 542800 -389.027 5.72658 -24.4541 5.7273 -191.911 58.1122 -24.4537 58.1117 -184.476 GPRESSURE: 542800 -299.031 -99.5731 -110.78 31.7814 -124.186 44.07 -62.5037 114.115 -240.504 PRESSAVG: 542800 -20.2251 -36.7236 -27.7199 -36.7235 27.2547 23.615 -27.7198 23.6149 -1.15512 GPRESSAVG: 542800 -20.0473 -38.831 -28.2277 -35.7051 27.2961 22.4087 -26.8195 23.1811 -1.30284 TIMING: 542800 CPU: 1709.02, 0.0031264/step Wall: 1709.02, 0.0031264/step, 3.87083 hours remaining, 233.433594 MB of memory in use. ENERGY: 542800 3888.9129 20444.9029 14433.7246 241.7703 -203765.4357 2587.4635 0.0000 0.0000 52141.8603 -110026.8012 299.6600 -162168.6615 -109661.5436 297.9602 -255.1378 -221.2404 760096.1155 1.9582 1.9820 PRESSURE: 543000 -55.7461 -217.072 40.7029 -217.071 -135.797 19.1729 40.7034 19.1721 262.881 GPRESSURE: 543000 131.761 -24.8283 127.974 -167.742 -88.7884 -69.8341 89.6047 158.081 134.179 PRESSAVG: 543000 -1.22521 -29.2831 -18.8238 -29.283 -15.9249 -5.42112 -18.8238 -5.42104 -16.1586 GPRESSAVG: 543000 -0.460537 -23.1365 -17.0786 -33.766 -14.7813 -4.05243 -19.2693 -6.14303 -17.5809 TIMING: 543000 CPU: 1709.64, 0.00313135/step Wall: 1709.64, 0.00313135/step, 3.87679 hours remaining, 233.433594 MB of memory in use. ENERGY: 543000 3998.8981 20473.1459 14527.2245 250.3964 -203830.4934 2727.2503 0.0000 0.0000 52067.2168 -109786.3614 299.2310 -161853.5782 -109435.0359 298.2970 23.7792 59.0506 760348.5594 -11.1029 -10.9409 PRESSURE: 543200 -496.352 115.434 263.373 115.433 -177.219 -138.397 263.373 -138.397 -362.17 GPRESSURE: 543200 -367.671 134.478 259.812 83.4889 -249.378 -123.126 315.162 -160.819 -334.397 PRESSAVG: 543200 24.2258 -1.60319 10.8518 -1.60321 46.1648 -1.79661 10.8518 -1.79664 0.0492893 GPRESSAVG: 543200 23.5508 -5.91402 9.94767 3.0864 44.6888 -3.55677 10.955 -0.99287 1.17385 TIMING: 543200 CPU: 1710.27, 0.0031251/step Wall: 1710.27, 0.0031251/step, 3.86888 hours remaining, 233.433594 MB of memory in use. ENERGY: 543200 3987.8745 20588.6560 14554.9179 238.3898 -203659.8011 2635.4668 0.0000 0.0000 51830.1648 -109824.3312 297.8687 -161654.4960 -109467.5410 298.7890 -345.2470 -317.1488 760967.9554 23.4799 23.1378 PRESSURE: 543400 -29.8236 -28.8344 -36.3459 -28.8349 2.69279 -97.5669 -36.3463 -97.5673 -131.335 GPRESSURE: 543400 -72.4124 14.9686 -58.8145 -50.6493 70.6243 10.1458 -75.6881 -96.2797 -80.9527 PRESSAVG: 543400 -23.8105 23.5952 22.5115 23.5952 -7.67075 21.3799 22.5115 21.3797 1.00047 GPRESSAVG: 543400 -24.5224 25.0392 22.4248 21.1979 -7.51286 23.4737 24.4499 20.6716 1.53714 TIMING: 543400 CPU: 1710.89, 0.00312229/step Wall: 1710.89, 0.00312229/step, 3.86522 hours remaining, 233.433594 MB of memory in use. ENERGY: 543400 4014.3912 20597.4502 14479.8512 247.4912 -203979.4527 2675.2044 0.0000 0.0000 51999.2595 -109965.8050 298.8405 -161965.0645 -109606.6813 298.3608 -52.8221 -27.5803 758980.3845 -10.1602 -10.1661 PRESSURE: 543600 -98.5757 -125.166 111.616 -125.166 16.1691 174.066 111.615 174.066 -276.177 GPRESSURE: 543600 -77.9407 -168.223 88.5673 -211.931 101.572 187.86 176.585 58.4915 -288.751 PRESSAVG: 543600 -5.03255 -16.741 7.4585 -16.7411 27.8653 22.3263 7.45851 22.3263 36.7771 GPRESSAVG: 543600 -5.63086 -16.5412 7.73376 -16.0704 28.7825 21.6115 5.84836 23.2648 36.1211 TIMING: 543600 CPU: 1711.52, 0.00312682/step Wall: 1711.52, 0.00312683/step, 3.87066 hours remaining, 233.433594 MB of memory in use. ENERGY: 543600 4045.6126 20422.8858 14438.6195 264.7152 -203589.6770 2575.0943 0.0000 0.0000 51803.4414 -110039.3083 297.7151 -161842.7497 -109676.8822 298.8282 -119.5278 -88.3732 759933.5397 19.8700 19.7576 PRESSURE: 543800 236.685 -54.3803 158.518 -54.381 -106.343 -8.69351 158.518 -8.69453 248.014 GPRESSURE: 543800 300.887 -18.5711 210.146 -13.0506 -52.6589 78.0319 -1.20956 -164.41 227.061 PRESSAVG: 543800 -15.9814 13.0739 36.2671 13.0739 -9.9195 59.28 36.267 59.28 -4.74446 GPRESSAVG: 543800 -16.3275 11.6733 35.5861 13.7969 -10.3294 57.5919 36.5955 59.493 -4.10788 TIMING: 543800 CPU: 1712.14, 0.00312492/step Wall: 1712.14, 0.00312492/step, 3.86813 hours remaining, 233.433594 MB of memory in use. ENERGY: 543800 3912.4543 20390.9171 14501.1804 245.8086 -204077.6622 2725.1252 0.0000 0.0000 52102.3001 -110199.8766 299.4326 -162302.1766 -109833.3975 298.3149 126.1187 158.4298 758615.3869 -10.2151 -10.2549 PRESSURE: 544000 -113.564 15.304 111.283 15.3039 -91.906 28.6124 111.282 28.6118 26.5892 GPRESSURE: 544000 -129.941 41.5453 157.123 -34.8231 -30.9374 5.10687 193.608 -26.2786 41.835 PRESSAVG: 544000 8.34272 16.3349 11.4636 16.335 17.434 96.9223 11.4636 96.9223 -2.85927 GPRESSAVG: 544000 8.63912 17.1687 14.2528 16.2812 17.3757 97.627 11.04 95.8893 -3.54305 TIMING: 544000 CPU: 1712.77, 0.00313561/step Wall: 1712.77, 0.00313561/step, 3.88119 hours remaining, 233.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 544000 3977.6934 20619.3728 14465.9846 254.3252 -203936.6195 2772.9290 0.0000 0.0000 51820.6065 -110025.7079 297.8137 -161846.3144 -109666.3448 298.4729 -59.6269 -39.6812 760872.1682 7.6392 7.4906 PRESSURE: 544200 -383.524 -133.779 -263.303 -133.779 -391.388 -121.115 -263.303 -121.116 -15.3529 GPRESSURE: 544200 -369.468 -43.2413 -245.958 -113.825 -387.139 -74.1004 -218.706 -59.8356 45.4225 PRESSAVG: 544200 -24.9579 -11.2833 -11.4468 -11.2833 -19.1384 59.8707 -11.4469 59.8707 24.3443 GPRESSAVG: 544200 -23.6712 -10.484 -12.1473 -12.2666 -20.9199 60.9063 -10.6249 59.3006 24.6524 TIMING: 544200 CPU: 1713.4, 0.00313324/step Wall: 1713.4, 0.00313324/step, 3.87808 hours remaining, 233.433594 MB of memory in use. ENERGY: 544200 4044.0770 20556.4847 14501.9271 252.4661 -203836.5501 2586.7110 0.0000 0.0000 51917.7428 -109977.1414 298.3720 -161894.8842 -109607.9931 298.8296 -263.4216 -237.0616 761650.1939 -6.5840 -6.6462 LDB: ============= START OF LOAD BALANCING ============== 1725.79 LDB: ============== END OF LOAD BALANCING =============== 1725.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1725.79 LDB: ============= START OF LOAD BALANCING ============== 1726.11 LDB: Largest compute 7064 load 0.030312 is 15.5% of average load 0.195854 LDB: Average compute 0.004354 is 2.2% of average load 0.195854 LDB: TIME 1726.11 LOAD: AVG 0.195854 MAX 0.21373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.41 MB LDB: TIME 1726.11 LOAD: AVG 0.195854 MAX 0.21373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: TIME 1726.11 LOAD: AVG 0.195854 MAX 0.21373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1726.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1726.12 PRESSURE: 544400 -131.254 -21.6109 -57.4776 -21.611 -55.8918 14.0495 -57.4777 14.05 57.681 GPRESSURE: 544400 -77.3913 -75.9685 -129.289 77.3144 -7.95843 -37.1077 -59.4168 69.2072 14.5529 PRESSAVG: 544400 -8.27871 -83.3192 -6.71979 -83.3191 90.3076 12.8078 -6.71979 12.8076 -12.2408 GPRESSAVG: 544400 -9.25867 -84.0793 -8.3041 -81.9388 91.5676 11.3201 -7.61798 15.8245 -13.1221 TIMING: 544400 CPU: 1714.04, 0.00320639/step Wall: 1714.04, 0.00320639/step, 3.96844 hours remaining, 232.410156 MB of memory in use. ENERGY: 544400 3977.9734 20438.7722 14468.6846 239.6325 -203774.7292 2814.5176 0.0000 0.0000 52004.4834 -109830.6655 298.8705 -161835.1489 -109468.3522 298.5723 -43.1550 -23.5990 760488.9369 23.2627 23.0623 PRESSURE: 544600 38.8444 -47.0104 -225.559 -47.0101 -99.3257 106.997 -225.557 106.997 -15.0337 GPRESSURE: 544600 106.956 -75.0156 -270.757 -158.64 -64.6864 134.287 -46.9755 213.896 -40.7666 PRESSAVG: 544600 -28.5176 -14.9806 43.7019 -14.9806 22.458 32.7033 43.7019 32.7033 -20.7345 GPRESSAVG: 544600 -28.8127 -15.8392 42.2581 -16.2756 22.7286 32.8973 45.8741 32.0007 -21.026 TIMING: 544600 CPU: 1714.67, 0.00315618/step Wall: 1714.67, 0.00315618/step, 3.90612 hours remaining, 232.410156 MB of memory in use. ENERGY: 544600 3998.1534 20432.0332 14511.3371 255.6251 -203743.5329 2451.7886 0.0000 0.0000 52049.6347 -110044.9609 299.1300 -162094.5956 -109679.3671 298.4790 -25.1717 0.5009 761785.9251 -8.9313 -9.0367 PRESSURE: 544800 -141.713 60.0782 69.8291 60.0781 -234.174 185.624 69.8284 185.624 -275.543 GPRESSURE: 544800 -79.0449 69.7024 85.1041 -50.1193 -225.085 132.107 81.8293 170.98 -243.797 PRESSAVG: 544800 -23.3397 -30.0257 2.19369 -30.0258 10.2493 44.9056 2.19371 44.9055 19.3383 GPRESSAVG: 544800 -21.8091 -28.8698 4.61088 -28.3462 9.38876 45.414 1.79251 43.8893 18.246 TIMING: 544800 CPU: 1715.3, 0.00314243/step Wall: 1715.3, 0.00314243/step, 3.88894 hours remaining, 232.410156 MB of memory in use. ENERGY: 544800 3894.7513 20545.4292 14472.5089 254.2108 -203655.5853 2565.8478 0.0000 0.0000 51622.7888 -110300.0484 296.6769 -161922.8372 -109938.2207 298.0208 -217.1436 -182.6422 761854.9890 2.0826 1.9419 PRESSURE: 545000 186.84 -2.2805 -48.305 -2.28036 24.6788 47.068 -48.3049 47.0679 -107.604 GPRESSURE: 545000 282.483 -49.7815 3.33877 -41.2048 -1.30904 27.2425 -95.9542 12.2631 -94.9704 PRESSAVG: 545000 -37.6176 -39.7186 -34.4914 -39.7186 1.81246 -10.1232 -34.4914 -10.1231 -11.932 GPRESSAVG: 545000 -38.5166 -41.4243 -34.5192 -39.3647 1.30948 -10.4799 -34.1466 -9.77398 -10.2194 TIMING: 545000 CPU: 1715.93, 0.00315747/step Wall: 1715.93, 0.00315747/step, 3.90736 hours remaining, 232.410156 MB of memory in use. ENERGY: 545000 3985.6715 20445.7976 14498.6589 247.6136 -203612.9139 2515.5174 0.0000 0.0000 51815.4788 -110104.1762 297.7843 -161919.6550 -109740.7487 297.7531 34.6384 62.0679 760497.2521 -15.9124 -15.8089 PRESSURE: 545200 121.158 -8.27965 175.459 -8.28065 121.08 -89.3454 175.46 -89.3455 83.2747 GPRESSURE: 545200 60.3039 39.0826 232.968 -13.9663 251.381 35.465 85.5961 -18.9858 100.257 PRESSAVG: 545200 -4.30231 -18.4552 -26.8727 -18.4551 41.4952 59.4298 -26.8727 59.4298 -2.63844 GPRESSAVG: 545200 -4.36058 -18.8162 -28.1417 -17.6937 41.8901 59.5319 -27.0571 59.0839 -3.38784 TIMING: 545200 CPU: 1716.56, 0.00315973/step Wall: 1716.56, 0.00315973/step, 3.90999 hours remaining, 232.410156 MB of memory in use. ENERGY: 545200 3941.9493 20582.5364 14431.8372 251.8462 -203586.4188 2628.6351 0.0000 0.0000 51796.1837 -109953.4310 297.6734 -161749.6147 -109592.5008 298.1197 108.5043 137.3140 762071.0795 11.5181 11.3806 PRESSURE: 545400 158.688 224.058 24.6855 224.059 175.998 273.826 24.6859 273.827 137.739 GPRESSURE: 545400 194.405 163.759 -33.4221 223.288 204.721 209.793 -48.2559 226.452 159.822 PRESSAVG: 545400 -38.9583 12.2451 13.8172 12.2451 28.9998 22.2086 13.8171 22.2086 -30.3324 GPRESSAVG: 545400 -40.3633 11.7636 14.1241 11.2674 30.0829 23.6104 10.5024 20.4021 -29.9347 TIMING: 545400 CPU: 1717.19, 0.00314737/step Wall: 1717.19, 0.00314737/step, 3.89452 hours remaining, 232.410156 MB of memory in use. ENERGY: 545400 4010.1087 20645.6926 14461.6518 252.6058 -203788.9716 2677.7489 0.0000 0.0000 51951.9614 -109789.2024 298.5686 -161741.1638 -109432.8845 298.2820 157.4751 186.3158 760804.4448 -13.4303 -13.4050 PRESSURE: 545600 67.3945 -46.4421 -116.185 -46.4421 349.147 30.7866 -116.185 30.7872 21.5578 GPRESSURE: 545600 85.4276 23.2641 -77.4763 -41.0494 384.96 22.0856 82.3025 118.517 51.5838 PRESSAVG: 545600 -12.5086 -52.6607 -1.08464 -52.6607 50.1629 30.9412 -1.08467 30.9412 -25.3126 GPRESSAVG: 545600 -11.5367 -51.5347 0.313104 -54.2244 48.0197 28.272 1.44598 32.6376 -24.099 TIMING: 545600 CPU: 1717.82, 0.00314583/step Wall: 1717.82, 0.00314583/step, 3.89244 hours remaining, 232.410156 MB of memory in use. ENERGY: 545600 3913.7074 20575.7886 14423.4803 245.5789 -204010.7976 3036.9773 0.0000 0.0000 52109.6685 -109705.5966 299.4750 -161815.2651 -109339.2357 299.0915 146.0330 173.9905 761189.6213 4.1139 4.1280 PRESSURE: 545800 -446.427 -106.912 27.9772 -106.912 113.898 76.617 27.978 76.617 -115.366 GPRESSURE: 545800 -327.676 -144.499 -28.2543 -156.473 41.7546 107.397 74.8722 67.3758 -69.212 PRESSAVG: 545800 -44.0244 13.597 14.005 13.597 51.3924 47.1804 14.0051 47.1803 -7.98883 GPRESSAVG: 545800 -44.1742 13.4938 12.6208 15.0503 52.7184 49.5406 13.5183 47.5111 -9.0564 TIMING: 545800 CPU: 1718.45, 0.00313851/step Wall: 1718.45, 0.00313851/step, 3.88321 hours remaining, 232.410156 MB of memory in use. ENERGY: 545800 4029.9287 20615.3447 14372.1066 239.8154 -203708.4321 2358.4563 0.0000 0.0000 52225.0594 -109867.7210 300.1381 -162092.7804 -109511.4490 298.9049 -149.2984 -118.3777 761381.0599 -0.2070 -0.1707 PRESSURE: 546000 101.632 -155.927 -78.4136 -155.927 -43.312 199.466 -78.412 199.467 -81.8679 GPRESSURE: 546000 44.798 -98.4211 -16.8308 -224.04 -18.1516 139.293 -30.1431 159.478 19.1915 PRESSAVG: 546000 -25.4384 -3.34536 34.7438 -3.34534 47.1259 -41.0256 34.7439 -41.0256 -1.38909 GPRESSAVG: 546000 -24.7849 -1.6647 34.2646 -4.39997 46.2096 -40.7014 34.7588 -42.6203 -1.17822 TIMING: 546000 CPU: 1719.07, 0.00313211/step Wall: 1719.07, 0.00313211/step, 3.87511 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 4017.6193 20535.8164 14429.5843 243.8642 -203631.5674 2496.9675 0.0000 0.0000 52044.6063 -109863.1094 299.1011 -161907.7157 -109501.1366 298.8087 -7.8493 15.2793 760757.6454 6.7661 6.7488 PRESSURE: 546200 110.469 86.322 345.182 86.3209 -40.1756 95.3767 345.182 95.3774 -77.0107 GPRESSURE: 546200 114.841 84.2445 343.631 19.359 41.6804 102.818 275.269 13.1763 -69.7482 PRESSAVG: 546200 21.3452 5.58976 39.412 5.5898 -65.5408 -10.2515 39.412 -10.2514 -3.37193 GPRESSAVG: 546200 20.6361 3.68901 39.7716 3.31485 -65.3131 -11.9518 42.075 -8.95096 -3.42706 TIMING: 546200 CPU: 1719.69, 0.00310573/step Wall: 1719.69, 0.00310573/step, 3.84231 hours remaining, 232.410156 MB of memory in use. ENERGY: 546200 4054.9977 20403.1777 14423.3777 258.4038 -203399.6154 2490.0214 0.0000 0.0000 52182.4353 -109587.2019 299.8932 -161769.6372 -109238.1236 298.8873 -2.2391 28.9245 760427.9660 -15.8558 -16.0347 PRESSURE: 546400 243.911 -206.702 107.212 -206.702 183.808 220.89 107.212 220.891 28.6829 GPRESSURE: 546400 197.521 -238.519 134.88 -126.94 270.68 160.253 123.287 231.533 70.967 PRESSAVG: 546400 10.9485 -35.9129 66.419 -35.9129 -1.5663 0.412442 66.4191 0.412482 15.0747 GPRESSAVG: 546400 9.47481 -34.905 66.0048 -33.5688 -0.193463 0.630607 64.6324 0.74675 15.4077 TIMING: 546400 CPU: 1720.32, 0.00311481/step Wall: 1720.32, 0.00311481/step, 3.85337 hours remaining, 232.410156 MB of memory in use. ENERGY: 546400 3955.2945 20626.8814 14453.9921 241.2938 -203486.1358 2754.9375 0.0000 0.0000 52011.5000 -109442.2365 298.9108 -161453.7365 -109085.4194 299.6016 152.1341 179.7225 759728.9608 8.1523 8.2297 PRESSURE: 546600 -172.669 37.2406 130.911 37.24 38.3838 -100.699 130.91 -100.698 -452.901 GPRESSURE: 546600 -48.4496 74.4346 140.318 45.8396 16.6415 87.5118 22.3949 -167.113 -468.972 PRESSAVG: 546600 24.464 -23.2118 24.7625 -23.2118 -25.8547 10.8547 24.7625 10.8547 1.72124 GPRESSAVG: 546600 25.8836 -22.9855 25.0428 -22.2675 -26.0757 9.67248 23.9154 10.6643 1.05548 TIMING: 546600 CPU: 1720.94, 0.00312133/step Wall: 1720.94, 0.00312133/step, 3.86126 hours remaining, 232.410156 MB of memory in use. ENERGY: 546600 3961.4005 20367.1748 14424.4838 258.1352 -203928.5770 2821.3216 0.0000 0.0000 52369.6985 -109726.3625 300.9694 -162096.0610 -109364.0012 299.5079 -195.7290 -166.9266 760783.5298 0.1102 0.2878 PRESSURE: 546800 -167.051 11.6341 82.1608 11.6343 -46.4925 -295.071 82.1611 -295.072 -113.92 GPRESSURE: 546800 -126.85 -3.31051 60.6337 7.12827 -103.92 -325.935 174.164 -278.566 -17.7941 PRESSAVG: 546800 13.8321 -11.4256 35.9553 -11.4256 -17.2985 -32.2029 35.9553 -32.2028 -4.14947 GPRESSAVG: 546800 15.6185 -11.1439 36.8234 -12.4401 -19.1033 -31.6912 35.6183 -30.4663 -4.67084 TIMING: 546800 CPU: 1721.57, 0.00312498/step Wall: 1721.57, 0.00312498/step, 3.8656 hours remaining, 232.410156 MB of memory in use. ENERGY: 546800 4050.1201 20408.2747 14411.4520 244.7591 -203589.8092 2462.4467 0.0000 0.0000 52252.5152 -109760.2415 300.2959 -162012.7567 -109390.3665 299.0633 -109.1543 -82.8548 758847.5553 -2.5386 -2.7186 PRESSURE: 547000 113.526 -3.51809 99.4468 -3.51787 -285.168 -30.4588 99.4468 -30.4595 -652.343 GPRESSURE: 547000 133.886 -14.7502 64.2576 67.7958 -211.452 -116.394 13.2551 -116.962 -660.45 PRESSAVG: 547000 30.0398 -24.6604 -11.5383 -24.6604 38.6766 -44.7145 -11.5384 -44.7145 19.565 GPRESSAVG: 547000 27.4457 -25.3543 -11.8754 -23.9191 40.8129 -44.6458 -11.6473 -47.869 19.9173 TIMING: 547000 CPU: 1722.19, 0.00312893/step Wall: 1722.19, 0.00312893/step, 3.87031 hours remaining, 232.410156 MB of memory in use. ENERGY: 547000 4047.1587 20556.9282 14452.6713 247.5776 -203586.6784 2308.9687 0.0000 0.0000 52024.8473 -109948.5266 298.9875 -161973.3739 -109596.8909 298.8026 -274.6619 -246.0053 759328.5003 29.4271 29.3920 PRESSURE: 547200 290.504 -157.409 -91.9822 -157.407 14.3367 -164.329 -91.9832 -164.327 -372.008 GPRESSURE: 547200 218.461 -29.5617 -106.06 -35.3695 143.557 -124.905 -214.495 -121.78 -329.646 PRESSAVG: 547200 47.7746 -40.8578 -95.5391 -40.8577 -31.5051 -35.2368 -95.5391 -35.2367 5.56727 GPRESSAVG: 547200 48.9119 -39.5211 -97.3164 -41.1701 -32.917 -33.6817 -93.8563 -34.3152 4.99547 TIMING: 547200 CPU: 1722.82, 0.00315021/step Wall: 1722.82, 0.00315021/step, 3.89646 hours remaining, 232.410156 MB of memory in use. ENERGY: 547200 3949.9343 20356.4612 14499.9852 245.9946 -203921.8225 2693.8232 0.0000 0.0000 52268.4594 -109907.1646 300.3876 -162175.6239 -109540.8397 298.6968 -22.3892 10.7909 759435.2280 7.2789 6.9968 PRESSURE: 547400 -226.606 -253.057 -58.7114 -253.058 -46.0361 -51.1251 -58.7118 -51.1245 -104.733 GPRESSURE: 547400 -176.016 -148.561 11.7824 -246.097 81.4953 81.5445 -131.028 31.8913 -197.312 PRESSAVG: 547400 78.2553 -3.52203 -15.9052 -3.52207 -57.5008 3.31146 -15.9053 3.31141 15.0479 GPRESSAVG: 547400 77.8334 -5.01771 -13.2502 -3.5819 -56.9401 2.95401 -14.6379 4.19722 15.0499 TIMING: 547400 CPU: 1723.45, 0.00313133/step Wall: 1723.45, 0.00313133/step, 3.87294 hours remaining, 232.410156 MB of memory in use. ENERGY: 547400 4017.2014 20494.1665 14461.5550 247.6393 -203240.0319 2240.0691 0.0000 0.0000 52116.5810 -109662.8196 299.5147 -161779.4006 -109307.2985 299.1018 -125.7918 -97.2778 759926.6093 11.9341 11.9811 PRESSURE: 547600 69.1652 -31.4063 23.1458 -31.4057 -83.5697 -219.93 23.1468 -219.93 -161.669 GPRESSURE: 547600 185.45 41.5835 141.22 -7.75997 -76.1656 -225.908 -33.5383 -182.582 -204.975 PRESSAVG: 547600 -68.6184 -49.7011 -17.7752 -49.7011 68.3213 -6.46686 -17.7753 -6.46685 -4.66154 GPRESSAVG: 547600 -67.9609 -51.2685 -19.5864 -49.8492 68.1512 -7.95831 -19.8636 -6.25119 -5.38506 TIMING: 547600 CPU: 1724.08, 0.00315792/step Wall: 1724.08, 0.00315792/step, 3.90565 hours remaining, 232.410156 MB of memory in use. ENERGY: 547600 4023.7618 20438.4525 14417.4368 247.0007 -203484.9735 2407.6048 0.0000 0.0000 52282.5715 -109668.1453 300.4687 -161950.7168 -109295.1985 299.3536 -58.6911 -31.8969 759281.7206 -1.6529 -1.7316 PRESSURE: 547800 -106.791 -116.122 -52.2808 -116.122 -23.602 22.1171 -52.2816 22.1171 -189.879 GPRESSURE: 547800 42.2757 -182.727 -162.12 -179.598 -44.6288 -44.1278 -201.449 69.7842 -214.025 PRESSAVG: 547800 -20.5543 -40.1519 -29.0129 -40.1518 23.5532 -55.7753 -29.0129 -55.7754 2.36439 GPRESSAVG: 547800 -20.8891 -40.5924 -28.4314 -40.5954 23.0457 -56.1201 -30.0685 -56.766 2.919 TIMING: 547800 CPU: 1724.71, 0.00313324/step Wall: 1724.71, 0.00313324/step, 3.87495 hours remaining, 232.410156 MB of memory in use. ENERGY: 547800 4053.1821 20358.6221 14472.7451 232.8986 -203157.3463 2474.7494 0.0000 0.0000 51900.3383 -109664.8106 298.2720 -161565.1489 -109291.6368 298.8160 -106.7576 -72.1260 762086.6560 1.7878 1.6919 PRESSURE: 548000 -497.442 1.06575 -6.83309 1.06461 -188.582 -240.204 -6.83351 -240.204 -288.523 GPRESSURE: 548000 -383.36 -44.8934 27.2857 -46.394 -171.882 -325.327 24.8965 -122.68 -340.406 PRESSAVG: 548000 -23.9611 -56.1086 -91.1087 -56.1087 21.5929 -14.9655 -91.1088 -14.9654 1.80547 GPRESSAVG: 548000 -24.6285 -53.0387 -93.0132 -57.3409 21.1067 -13.1078 -88.7629 -16.2297 3.07622 TIMING: 548000 CPU: 1725.33, 0.00311701/step Wall: 1725.33, 0.00311702/step, 3.85471 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 3983.9600 20408.5744 14434.6974 249.0861 -202781.7395 2121.6869 0.0000 0.0000 51858.3068 -109725.4279 298.0304 -161583.7347 -109364.8213 298.9129 -324.8490 -298.5495 760927.2795 -0.1876 -0.1485 PRESSURE: 548200 105.695 -245.141 -69.8794 -245.141 412.931 -27.9343 -69.88 -27.9342 196.27 GPRESSURE: 548200 163.34 -196.479 -35.9586 -236.562 386.609 -68.3095 -47.1724 -28.292 239.742 PRESSAVG: 548200 -92.5056 -90.5175 -57.6205 -90.5175 43.3728 -59.1407 -57.6204 -59.1408 22.7511 GPRESSAVG: 548200 -92.4627 -91.2572 -55.8507 -89.9451 43.8077 -58.9954 -58.6537 -56.4646 22.8813 TIMING: 548200 CPU: 1725.96, 0.00316028/step Wall: 1725.96, 0.00316028/step, 3.90804 hours remaining, 232.410156 MB of memory in use. ENERGY: 548200 3978.7889 20478.5025 14474.2918 228.4613 -204002.1556 3119.6234 0.0000 0.0000 51947.3896 -109775.0981 298.5424 -161722.4878 -109408.8000 298.6044 238.2984 263.2304 759607.4864 -8.7939 -8.5912 LDB: ============= START OF LOAD BALANCING ============== 1738.36 LDB: ============== END OF LOAD BALANCING =============== 1738.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1738.36 LDB: ============= START OF LOAD BALANCING ============== 1738.68 LDB: Largest compute 7078 load 0.030634 is 15.7% of average load 0.195733 LDB: Average compute 0.004358 is 2.2% of average load 0.195733 LDB: TIME 1738.68 LOAD: AVG 0.195733 MAX 0.21244 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.426 MB LDB: TIME 1738.68 LOAD: AVG 0.195733 MAX 0.21244 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: TIME 1738.68 LOAD: AVG 0.195733 MAX 0.21244 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1738.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1738.69 PRESSURE: 548400 237.609 -118.746 67.3232 -118.747 -168.431 -125.544 67.3231 -125.545 90.9487 GPRESSURE: 548400 172.112 -17.1411 61.0426 -15.2719 -11.5889 -144.907 -18.1263 -114.53 99.5958 PRESSAVG: 548400 36.9157 -82.8806 -41.6444 -82.8807 -41.9778 -42.7106 -41.6444 -42.7106 7.93548 GPRESSAVG: 548400 37.2752 -83.5116 -42.5605 -81.0176 -40.9668 -42.355 -42.4099 -43.5669 6.34537 TIMING: 548400 CPU: 1726.6, 0.0032118/step Wall: 1726.6, 0.0032118/step, 3.97157 hours remaining, 232.648438 MB of memory in use. ENERGY: 548400 3978.7939 20554.7071 14374.7729 243.8689 -203379.4211 2444.3840 0.0000 0.0000 51970.1050 -109812.7894 298.6729 -161782.8944 -109462.2111 298.7123 53.3756 86.7063 760199.0815 0.9578 0.8846 PRESSURE: 548600 -120.598 -53.5881 -246.718 -53.5888 -6.82148 154.456 -246.718 154.455 -22.7933 GPRESSURE: 548600 -95.5038 -93.2937 -284.567 -126.19 51.8054 153.788 -307.882 -9.21592 -7.18243 PRESSAVG: 548600 31.9066 -16.8631 -26.3219 -16.8632 9.11973 11.7119 -26.3219 11.712 2.89797 GPRESSAVG: 548600 32.2769 -15.9301 -26.4583 -18.5062 8.32539 11.258 -25.5793 11.2295 3.75195 TIMING: 548600 CPU: 1727.23, 0.00313204/step Wall: 1727.23, 0.00313204/step, 3.87277 hours remaining, 232.648438 MB of memory in use. ENERGY: 548600 3948.3653 20554.8845 14342.1622 252.8160 -203235.2067 2520.4957 0.0000 0.0000 51861.7979 -109754.6851 298.0505 -161616.4831 -109418.4490 298.6880 -50.0710 -16.9603 760465.9268 14.6414 14.7848 PRESSURE: 548800 187.184 -64.1866 131.868 -64.1856 -375.924 -42.8894 131.868 -42.8901 143.111 GPRESSURE: 548800 202.554 -4.45366 124.929 -49.9274 -334.655 -65.7828 130.881 -4.19442 177.88 PRESSAVG: 548800 21.3739 -19.3333 -1.13042 -19.3334 -11.2785 41.8989 -1.13044 41.8988 -7.49645 GPRESSAVG: 548800 20.919 -19.2422 -1.53946 -19.097 -9.00116 40.3252 -1.3357 42.3111 -9.46117 TIMING: 548800 CPU: 1727.86, 0.00314798/step Wall: 1727.86, 0.00314798/step, 3.8923 hours remaining, 232.648438 MB of memory in use. ENERGY: 548800 3973.5346 20589.8665 14433.2502 238.2020 -203737.5772 2857.2305 0.0000 0.0000 51930.1441 -109715.3492 298.4433 -161645.4933 -109349.6544 298.8150 -15.2096 15.2597 759597.5802 0.8663 0.8189 PRESSURE: 549000 -324.216 -335.463 211.017 -335.464 -192.538 -85.1309 211.017 -85.1305 36.5911 GPRESSURE: 549000 -279.129 -276.174 183.671 -357.913 -229.57 -168.705 111.833 -23.0095 110.932 PRESSAVG: 549000 16.2511 -54.9665 -11.3982 -54.9665 -58.7229 22.4501 -11.3982 22.4502 11.7829 GPRESSAVG: 549000 16.8557 -57.8635 -11.7075 -55.2377 -61.9325 23.8414 -11.2263 21.4861 14.2478 TIMING: 549000 CPU: 1728.49, 0.0031306/step Wall: 1728.49, 0.0031306/step, 3.87064 hours remaining, 232.648438 MB of memory in use. ENERGY: 549000 3993.3839 20471.5417 14384.0020 237.3327 -203168.0307 2442.1640 0.0000 0.0000 52000.4821 -109639.1244 298.8475 -161639.6065 -109281.6234 298.9971 -160.0545 -132.5890 760614.2030 -10.2296 -10.2763 PRESSURE: 549200 -91.3611 -88.3523 -161.99 -88.3522 -280.86 100.2 -161.99 100.201 46.6418 GPRESSURE: 549200 -57.8699 -136.475 -273.474 -12.8824 -202.842 89.2186 -62.7776 164.664 20.5825 PRESSAVG: 549200 41.0002 -32.6203 -13.681 -32.6203 -47.1844 9.34768 -13.681 9.34764 -0.65165 GPRESSAVG: 549200 39.5312 -31.4666 -13.0451 -31.9116 -46.6333 8.28182 -15.7095 11.7437 -0.400822 TIMING: 549200 CPU: 1729.11, 0.00313462/step Wall: 1729.11, 0.00313462/step, 3.87543 hours remaining, 232.648438 MB of memory in use. ENERGY: 549200 4001.0675 20401.0609 14461.3468 233.1553 -203384.9009 2493.9154 0.0000 0.0000 52323.5862 -109470.7688 300.7044 -161794.3550 -109108.9684 299.0159 -108.5265 -80.0433 760722.0834 -2.2786 -2.5010 PRESSURE: 549400 -92.3974 -92.3381 -97.4597 -92.3373 -219.657 99.9068 -97.4596 99.9069 27.5717 GPRESSURE: 549400 -175.106 -53.5712 -119.127 -59.1331 -89.2497 112.195 -118.968 201.541 68.481 PRESSAVG: 549400 6.47456 -65.2521 -82.3046 -65.252 -33.1535 35.559 -82.3046 35.559 15.6526 GPRESSAVG: 549400 6.46703 -66.3953 -83.4491 -66.018 -32.2894 35.4687 -78.0403 32.8713 14.6431 TIMING: 549400 CPU: 1729.74, 0.00312765/step Wall: 1729.74, 0.00312765/step, 3.86665 hours remaining, 232.648438 MB of memory in use. ENERGY: 549400 3964.2700 20401.7348 14409.1317 235.4872 -202799.2881 2296.4172 0.0000 0.0000 51931.5826 -109560.6646 298.4515 -161492.2472 -109202.9910 298.9463 -94.8277 -65.2916 760565.2413 -3.6755 -3.7264 PRESSURE: 549600 -188.456 -51.384 87.7253 -51.3838 -659.177 -15.1741 87.7253 -15.1737 -111.578 GPRESSURE: 549600 -80.0548 -32.8915 -14.104 -120.338 -650.214 -16.8588 37.3094 59.7659 -143.423 PRESSAVG: 549600 11.6043 -75.1116 49.1696 -75.1117 -47.644 -0.84452 49.1696 -0.844543 -11.3823 GPRESSAVG: 549600 11.4878 -72.5767 50.4025 -76.656 -47.1588 0.720927 47.8012 -0.850151 -11.6887 TIMING: 549600 CPU: 1730.36, 0.003117/step Wall: 1730.36, 0.003117/step, 3.8533 hours remaining, 232.851562 MB of memory in use. ENERGY: 549600 3958.1159 20514.4389 14415.3764 258.7572 -202937.2847 2321.0402 0.0000 0.0000 52046.7598 -109422.7963 299.1134 -161469.5561 -109060.1746 299.1637 -319.7369 -291.2306 761168.4070 -15.8073 -15.7865 PRESSURE: 549800 -43.4441 -122.375 223.545 -122.376 -97.5547 -42.9378 223.545 -42.9362 29.7593 GPRESSURE: 549800 -35.9752 -5.72934 234.913 -86.7894 6.43867 -30.8883 120.579 -19.2025 0.888483 PRESSAVG: 549800 54.8192 -23.2706 -38.8755 -23.2707 -3.01851 45.4445 -38.8755 45.4446 -3.5925 GPRESSAVG: 549800 55.3023 -23.6728 -38.6384 -22.611 -3.19691 44.8647 -38.4461 46.5035 -3.97106 TIMING: 549800 CPU: 1730.99, 0.00313509/step Wall: 1730.99, 0.0031351/step, 3.8755 hours remaining, 232.851562 MB of memory in use. ENERGY: 549800 3960.2220 20322.2565 14480.6405 254.8071 -203371.7128 2631.9431 0.0000 0.0000 52414.7619 -109307.0816 301.2284 -161721.8435 -108941.3736 299.9485 -37.0798 -9.5493 759597.1130 16.0694 16.0448 PRESSURE: 550000 17.7945 102.986 -86.8248 102.986 -43.8821 154.811 -86.8249 154.812 -406.53 GPRESSURE: 550000 -42.0689 230.966 -125.873 116.844 83.6119 170.223 -170.124 -18.2418 -370.353 PRESSAVG: 550000 34.2051 20.4754 -6.12081 20.4754 -0.752702 6.54196 -6.12074 6.54198 -28.289 GPRESSAVG: 550000 34.0548 19.0248 -6.00204 22.1604 -0.849806 5.21782 -9.18935 7.85184 -27.5935 TIMING: 550000 CPU: 1731.61, 0.00312041/step Wall: 1731.61, 0.00312041/step, 3.85717 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 550000 4095.1906 20403.5897 14437.4385 238.1421 -203459.3673 2766.3513 0.0000 0.0000 52371.7134 -109146.9417 300.9810 -161518.6551 -108786.2457 300.0212 -144.2057 -109.6034 759300.1606 1.7211 1.8705 PRESSURE: 550200 6.38491 -108.168 28.422 -108.168 77.4424 93.7287 28.4218 93.7284 -112.296 GPRESSURE: 550200 100.649 -93.1586 -0.416809 -16.9206 37.1637 44.9454 -41.4701 6.41242 -92.7164 PRESSAVG: 550200 32.4305 8.68298 -9.59381 8.68297 -42.0534 14.0922 -9.59372 14.0922 -9.2636 GPRESSAVG: 550200 32.4871 6.72059 -9.81379 8.03309 -42.1421 15.0363 -9.34114 12.3877 -8.52979 TIMING: 550200 CPU: 1732.24, 0.003139/step Wall: 1732.24, 0.003139/step, 3.87998 hours remaining, 232.851562 MB of memory in use. ENERGY: 550200 3968.1063 20650.9027 14362.2872 249.3427 -203055.8642 2431.6180 0.0000 0.0000 52270.9388 -109122.6685 300.4018 -161393.6073 -108766.6648 299.8705 -9.4895 15.0322 761872.8495 -6.2955 -6.0616 PRESSURE: 550400 -102.078 -48.2805 -114.85 -48.2796 -83.8218 12.1914 -114.851 12.1911 302.765 GPRESSURE: 550400 -137.416 12.3865 -63.42 -24.8643 -24.1278 -3.14945 -6.89589 82.34 334.597 PRESSAVG: 550400 0.0272828 13.6279 33.8829 13.6279 38.0783 45.1122 33.8829 45.1123 17.6457 GPRESSAVG: 550400 -0.1828 17.216 34.0282 12.555 38.1074 44.0875 35.9631 44.6169 17.125 TIMING: 550400 CPU: 1732.87, 0.00313401/step Wall: 1732.87, 0.00313401/step, 3.87363 hours remaining, 232.851562 MB of memory in use. ENERGY: 550400 3978.4425 20506.0739 14404.4374 242.2787 -203134.8811 2375.3030 0.0000 0.0000 52320.6790 -109307.6666 300.6877 -161628.3456 -108953.1499 300.1042 38.9550 57.6844 761948.5394 18.5837 18.3499 PRESSURE: 550600 291.063 5.23568 -176.45 5.23539 -258.648 -161.852 -176.449 -161.852 -403.378 GPRESSURE: 550600 384.751 7.17062 -241.746 29.2049 -265.254 -126.988 -111.962 -97.7306 -393.904 PRESSAVG: 550600 9.37512 -15.2745 -12.3739 -15.2745 26.1365 0.140954 -12.3739 0.140915 32.6189 GPRESSAVG: 550600 9.50439 -17.3116 -13.6253 -14.4415 26.129 2.11613 -11.1192 0.597951 32.7314 TIMING: 550600 CPU: 1733.5, 0.0031661/step Wall: 1733.5, 0.0031661/step, 3.91312 hours remaining, 232.851562 MB of memory in use. ENERGY: 550600 3885.2283 20652.9851 14421.3775 240.3571 -203307.9814 2761.6198 0.0000 0.0000 52053.3475 -109293.0662 299.1513 -161346.4136 -108929.9077 299.6842 -123.6543 -91.4687 760883.6442 22.7102 22.7883 PRESSURE: 550800 387.873 13.4251 -5.78498 13.4247 -140.481 56.1116 -5.78496 56.1118 119.344 GPRESSURE: 550800 371.234 -25.2721 -9.79577 18.9341 -53.1411 61.805 -38.3831 130.195 134.627 PRESSAVG: 550800 19.6516 28.2006 -19.8428 28.2006 28.7144 26.4184 -19.8428 26.4184 -2.8188 GPRESSAVG: 550800 18.4934 28.3867 -19.4201 28.2975 28.2271 23.5479 -22.347 25.7466 -1.21493 TIMING: 550800 CPU: 1734.13, 0.00315045/step Wall: 1734.13, 0.00315045/step, 3.89361 hours remaining, 232.851562 MB of memory in use. ENERGY: 550800 3893.4181 20536.9093 14387.7372 240.5218 -203049.0997 2531.9083 0.0000 0.0000 52017.5845 -109441.0206 298.9458 -161458.6050 -109076.8560 299.6082 122.2454 150.9066 760676.3342 15.1824 15.1685 PRESSURE: 551000 255.524 -35.2878 -47.4226 -35.2869 129.456 -68.0123 -47.4226 -68.0126 -153.087 GPRESSURE: 551000 265.484 -24.8177 -116.618 -63.7053 219.624 -96.5712 -21.6823 -56.7702 -142.939 PRESSAVG: 551000 29.4427 32.5739 -36.1319 32.5739 -21.7943 -31.1386 -36.1319 -31.1386 15.5747 GPRESSAVG: 551000 29.7952 34.9152 -37.3714 31.6455 -21.4894 -30.3113 -33.8839 -30.3121 14.9313 TIMING: 551000 CPU: 1734.76, 0.00314575/step Wall: 1734.76, 0.00314575/step, 3.88762 hours remaining, 232.851562 MB of memory in use. ENERGY: 551000 4011.9468 20476.4790 14377.5386 267.6956 -202888.5790 2430.0970 0.0000 0.0000 52011.5254 -109313.2965 298.9110 -161324.8220 -108950.6941 299.1974 77.2978 114.0564 761530.7044 7.7410 7.7457 PRESSURE: 551200 -56.3942 -75.1195 211.705 -75.1201 69.4857 217.298 211.705 217.298 -86.3086 GPRESSURE: 551200 -19.1142 13.5955 256.234 -31.8207 65.601 212.063 183.626 191.145 -10.8879 PRESSAVG: 551200 -6.05199 -23.0571 -61.9513 -23.057 2.95873 21.367 -61.9513 21.367 -1.5044 GPRESSAVG: 551200 -5.29159 -24.0382 -60.8843 -21.3405 2.3848 20.9494 -63.2396 21.5341 -1.60257 TIMING: 551200 CPU: 1735.39, 0.00313137/step Wall: 1735.39, 0.00313137/step, 3.86968 hours remaining, 232.851562 MB of memory in use. ENERGY: 551200 4072.0055 20569.2254 14462.8256 226.6894 -202903.6968 2440.3032 0.0000 0.0000 51960.5065 -109172.1412 298.6177 -161132.6477 -108805.8869 299.6434 -24.4057 11.8663 764520.1009 -1.5326 -1.5031 PRESSURE: 551400 261.441 -98.9299 -224.565 -98.9306 81.4509 198.616 -224.564 198.616 -341.23 GPRESSURE: 551400 217.867 -128.637 -236.175 -115.342 154.75 206.806 -145.841 236.786 -293.123 PRESSAVG: 551400 -13.704 -11.9818 -69.3622 -11.9819 40.0313 10.3267 -69.3622 10.3267 -32.8349 GPRESSAVG: 551400 -13.6801 -13.0624 -67.2517 -13.4586 40.8524 11.2185 -69.993 8.62489 -32.747 TIMING: 551400 CPU: 1736.01, 0.00313773/step Wall: 1736.01, 0.00313773/step, 3.87737 hours remaining, 232.851562 MB of memory in use. ENERGY: 551400 4050.3758 20647.4573 14390.4369 246.7194 -203280.6628 2732.6572 0.0000 0.0000 52137.5462 -109075.4700 299.6352 -161213.0162 -108720.2723 300.1784 0.5540 26.4981 760929.7562 -2.1692 -1.8582 PRESSURE: 551600 -42.0451 167.404 -216.434 167.404 332.207 105.413 -216.433 105.414 320.498 GPRESSURE: 551600 76.4677 147.636 -256.9 78.6016 319.868 57.4098 -228.973 63.8883 281.12 PRESSAVG: 551600 17.6421 43.8685 -50.3892 43.8685 17.0344 54.8285 -50.3892 54.8285 11.423 GPRESSAVG: 551600 16.7351 44.3685 -51.9689 43.7884 16.6991 55.3827 -49.7504 55.2506 12.8634 TIMING: 551600 CPU: 1736.64, 0.00313301/step Wall: 1736.64, 0.00313301/step, 3.87136 hours remaining, 232.851562 MB of memory in use. ENERGY: 551600 3976.2780 20576.3451 14478.2459 270.0651 -203456.0338 2798.2263 0.0000 0.0000 52214.8096 -109142.0637 300.0792 -161356.8733 -108785.4860 300.3264 203.5534 225.8184 761140.7827 15.3665 15.4325 PRESSURE: 551800 -394.29 -194.977 -212.753 -194.977 30.3993 -121.189 -212.754 -121.19 384.775 GPRESSURE: 551800 -355.904 -192.278 -167.979 -220.953 64.3102 -100.496 -126.354 -158.856 410.097 PRESSAVG: 551800 4.39015 -24.1861 7.30368 -24.1861 -26.5911 -19.8706 7.30369 -19.8706 6.37424 GPRESSAVG: 551800 6.69185 -25.7316 7.47523 -23.201 -26.9856 -19.326 9.30676 -20.7631 4.46325 TIMING: 551800 CPU: 1737.27, 0.00313572/step Wall: 1737.27, 0.00313571/step, 3.87452 hours remaining, 232.851562 MB of memory in use. ENERGY: 551800 3982.0160 20278.1074 14414.0339 233.0228 -203110.3215 2631.7403 0.0000 0.0000 52162.0793 -109409.3218 299.7762 -161571.4011 -109041.1567 299.8133 6.9614 39.5014 761412.4345 -5.2756 -5.2768 PRESSURE: 552000 -293.634 -42.6857 -67.1366 -42.6862 -96.5462 45.0118 -67.1372 45.0112 -189.284 GPRESSURE: 552000 -255.341 -119.817 -196.279 28.3859 -64.0024 118.668 16.6859 135.984 -175.069 PRESSAVG: 552000 29.8491 -44.4444 9.10923 -44.4444 20.2631 -11.1709 9.10929 -11.1709 -5.13216 GPRESSAVG: 552000 28.3921 -43.2151 8.6615 -45.6505 21.4428 -10.2786 8.04484 -8.99105 -3.99662 TIMING: 552000 CPU: 1737.9, 0.00314696/step Wall: 1737.9, 0.00314696/step, 3.88825 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 552000 4003.1661 20376.5123 14414.8688 234.3545 -203154.5743 2532.3210 0.0000 0.0000 52085.3809 -109507.9708 299.3354 -161593.3517 -109126.2352 299.2118 -193.1548 -164.8040 760477.9648 14.9933 15.2794 PRESSURE: 552200 -109.561 -135.341 118.091 -135.341 -114.626 315.274 118.091 315.274 -48.0319 GPRESSURE: 552200 -21.4361 -38.9031 45.1091 -146.318 -54.5597 260.219 30.3351 148.639 -102.045 PRESSAVG: 552200 -8.55883 -8.82844 12.7059 -8.82845 59.354 78.8869 12.706 78.8868 2.59119 GPRESSAVG: 552200 -6.84887 -7.73915 14.6971 -7.012 58.0348 77.7855 11.2429 78.5143 2.05738 TIMING: 552200 CPU: 1738.52, 0.00311876/step Wall: 1738.52, 0.00311876/step, 3.85323 hours remaining, 232.851562 MB of memory in use. ENERGY: 552200 4024.6507 20554.3444 14451.9060 227.7385 -203193.5064 2484.8952 0.0000 0.0000 52215.7266 -109234.2448 300.0845 -161449.9715 -108867.9629 299.7065 -90.7394 -59.3468 761263.5350 17.7954 17.7478 LDB: ============= START OF LOAD BALANCING ============== 1750.92 LDB: ============== END OF LOAD BALANCING =============== 1750.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1750.92 LDB: ============= START OF LOAD BALANCING ============== 1751.23 LDB: Largest compute 7064 load 0.030517 is 15.6% of average load 0.195883 LDB: Average compute 0.004355 is 2.2% of average load 0.195883 LDB: TIME 1751.23 LOAD: AVG 0.195883 MAX 0.214365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.184 MB LDB: TIME 1751.23 LOAD: AVG 0.195883 MAX 0.214365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.184 MB LDB: TIME 1751.24 LOAD: AVG 0.195883 MAX 0.214365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.184 MB LDB: ============== END OF LOAD BALANCING =============== 1751.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1751.24 PRESSURE: 552400 -408.829 -57.4513 -170.955 -57.4512 -395.301 -11.2594 -170.954 -11.2599 -193.173 GPRESSURE: 552400 -397.516 -7.97645 -232.788 -126.683 -351.997 -83.9472 -84.6027 -27.672 -171.21 PRESSAVG: 552400 -15.5739 -24.5285 -34.238 -24.5285 2.57938 -10.3998 -34.238 -10.3998 -27.021 GPRESSAVG: 552400 -16.631 -23.8918 -36.5981 -26.2606 2.39454 -9.97404 -32.9142 -11.0096 -26.4118 TIMING: 552400 CPU: 1739.16, 0.00319447/step Wall: 1739.16, 0.00319447/step, 3.94659 hours remaining, 234.210938 MB of memory in use. ENERGY: 552400 4008.9490 20677.0318 14419.6576 243.8636 -203289.2793 2434.4068 0.0000 0.0000 52171.2365 -109334.1339 299.8288 -161505.3705 -108975.2736 300.1244 -332.4346 -306.9078 761926.2310 -13.3385 -13.5494 PRESSURE: 552600 -32.5346 -260.582 -77.9462 -260.582 30.4779 47.4777 -77.9459 47.4767 -97.8659 GPRESSURE: 552600 -69.4754 -310.077 -12.7279 -187.006 116.36 57.5127 44.8803 -3.72305 -64.0748 PRESSAVG: 552600 -6.84904 -59.4718 7.37364 -59.4717 -9.99461 -26.1093 7.37363 -26.1093 -4.81383 GPRESSAVG: 552600 -7.25564 -59.816 9.14042 -59.8542 -8.24211 -26.9984 8.58162 -24.3917 -6.51417 TIMING: 552600 CPU: 1739.78, 0.00311971/step Wall: 1739.78, 0.0031197/step, 3.85405 hours remaining, 234.210938 MB of memory in use. ENERGY: 552600 4035.2778 20689.1930 14399.7340 230.3744 -203773.3773 2990.4317 0.0000 0.0000 52023.1352 -109405.2311 298.9777 -161428.3662 -109058.0879 299.4145 -33.3075 -5.7302 760897.0444 -7.2192 -7.3373 PRESSURE: 552800 93.2881 -94.33 118.956 -94.3303 88.8796 -113.29 118.957 -113.29 -353.63 GPRESSURE: 552800 60.6796 13.0379 141.924 -166.703 260.149 -115.616 83.8005 -150.77 -385.561 PRESSAVG: 552800 17.2835 -32.8394 -19.6 -32.8394 -21.808 10.209 -19.6 10.209 10.2754 GPRESSAVG: 552800 17.2452 -33.5435 -20.5494 -32.4209 -22.6787 11.1751 -21.5214 8.4632 11.5205 TIMING: 552800 CPU: 1740.41, 0.00312822/step Wall: 1740.41, 0.00312822/step, 3.86439 hours remaining, 234.210938 MB of memory in use. ENERGY: 552800 4039.9973 20521.0145 14475.1783 260.5146 -203422.9677 2576.4641 0.0000 0.0000 52228.4680 -109321.3310 300.1577 -161549.7989 -108955.2720 299.7483 -57.1541 -21.5774 760615.8927 1.9170 2.0290 PRESSURE: 553000 -371.874 -26.3525 48.5834 -26.3525 434.494 199.149 48.5839 199.149 193.794 GPRESSURE: 553000 -281.747 -32.912 -13.3483 -44.369 332.625 241.561 32.6413 140.381 294.197 PRESSAVG: 553000 -14.1973 -70.3219 9.17409 -70.3219 64.1522 1.49743 9.17413 1.49733 -19.5479 GPRESSAVG: 553000 -13.983 -69.7168 10.1599 -71.2197 63.149 1.49405 8.81491 1.56262 -18.7919 TIMING: 553000 CPU: 1741.04, 0.00316977/step Wall: 1741.04, 0.00316977/step, 3.91554 hours remaining, 234.210938 MB of memory in use. ENERGY: 553000 3959.5682 20695.5241 14529.3715 240.2950 -203688.7326 2789.9967 0.0000 0.0000 52244.0280 -109229.9490 300.2471 -161473.9770 -108871.1486 300.1398 85.4714 115.0248 760347.8223 10.1357 10.1247 PRESSURE: 553200 -182.019 134.348 74.7485 134.347 -142.95 151.155 74.7484 151.155 5.64013 GPRESSURE: 553200 -93.4022 78.7735 170.251 248.167 -142.669 150.139 122.989 166.943 1.0895 PRESSAVG: 553200 8.46004 -7.56691 -35.4257 -7.56703 -29.4751 13.6243 -35.4257 13.6243 -4.29649 GPRESSAVG: 553200 9.12708 -9.56588 -35.3946 -4.767 -28.94 13.0421 -34.9642 13.6042 -5.28401 TIMING: 553200 CPU: 1741.67, 0.00315508/step Wall: 1741.67, 0.00315508/step, 3.89723 hours remaining, 234.210938 MB of memory in use. ENERGY: 553200 4040.0185 20512.5267 14472.9590 251.3838 -202934.6626 2128.0438 0.0000 0.0000 52382.6222 -109147.1086 301.0436 -161529.7309 -108785.3676 300.5349 -106.4430 -78.3271 759940.6542 -8.4372 -8.3656 PRESSURE: 553400 -256.395 -124.367 141.813 -124.367 -145.294 -187.077 141.814 -187.076 136.222 GPRESSURE: 553400 -193.573 -55.1508 101.261 -75.1618 -154.672 -212.029 170.596 -95.6774 152.98 PRESSAVG: 553400 -28.3456 -60.7671 14.0455 -60.7671 42.4531 36.1148 14.0455 36.1148 32.3013 GPRESSAVG: 553400 -29.298 -61.2377 12.5016 -61.797 43.3729 36.0819 17.0496 36.5357 32.0302 TIMING: 553400 CPU: 1742.3, 0.00312667/step Wall: 1742.3, 0.00312667/step, 3.86196 hours remaining, 234.210938 MB of memory in use. ENERGY: 553400 4015.9673 20491.0955 14519.8882 232.6975 -202693.0767 2142.0641 0.0000 0.0000 52074.8949 -109216.4693 299.2751 -161291.3642 -108854.4200 300.2580 -88.4890 -65.0884 762088.3058 15.4696 15.3684 PRESSURE: 553600 190.002 -122.83 103.832 -122.831 234.882 -38.6972 103.833 -38.698 238.835 GPRESSURE: 553600 157.236 -198.408 89.8193 -154.246 292.444 -21.8776 86.6838 -66.9672 304.948 PRESSAVG: 553600 7.3195 -18.2715 -38.4835 -18.2716 -4.51608 -9.18257 -38.4834 -9.18261 -6.20004 GPRESSAVG: 553600 8.46194 -16.172 -37.5951 -19.4007 -6.45124 -8.57516 -41.7843 -8.66083 -5.74797 TIMING: 553600 CPU: 1742.93, 0.00313052/step Wall: 1742.93, 0.00313052/step, 3.86654 hours remaining, 234.210938 MB of memory in use. ENERGY: 553600 3991.5125 20700.2903 14570.7424 223.2419 -203580.8291 2861.3903 0.0000 0.0000 51878.2655 -109355.3861 298.1451 -161233.6516 -109010.4240 299.8943 221.2398 251.5429 759916.6660 -1.1322 -1.2458 PRESSURE: 553800 -11.118 -134.641 90.4587 -134.641 -150.898 -121.741 90.4591 -121.743 -152.465 GPRESSURE: 553800 -71.1091 -142.489 10.5558 -64.7718 35.6884 -120.456 145.012 -84.3011 -189.923 PRESSAVG: 553800 10.3133 22.2869 -66.4894 22.2869 -1.70122 -26.9803 -66.4895 -26.9802 7.28563 GPRESSAVG: 553800 9.495 20.617 -68.1706 23.2608 0.0333874 -27.4541 -63.6571 -25.7632 5.91223 TIMING: 553800 CPU: 1743.55, 0.00312121/step Wall: 1743.55, 0.00312121/step, 3.85487 hours remaining, 234.210938 MB of memory in use. ENERGY: 553800 4089.2703 20523.7122 14537.2033 235.2951 -203476.2800 2570.7537 0.0000 0.0000 52284.0374 -109236.0081 300.4771 -161520.0455 -108867.1885 300.1156 -104.8268 -75.1144 759748.1082 5.2992 5.1469 PRESSURE: 554000 337.311 24.8134 333.343 24.8128 -21.9032 -24.1067 333.343 -24.1075 -205.11 GPRESSURE: 554000 227.139 -104.511 298.513 -36.3712 73.4713 -53.9332 266.11 -229.155 -113.233 PRESSAVG: 554000 15.6563 -11.1774 13.5593 -11.1774 -22.0336 2.10715 13.5593 2.1071 12.5771 GPRESSAVG: 554000 16.4064 -9.2622 14.9764 -12.1608 -24.2765 1.42902 10.1161 0.525747 13.9578 TIMING: 554000 CPU: 1744.18, 0.0031365/step Wall: 1744.18, 0.0031365/step, 3.87358 hours remaining, 234.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 554000 3953.7512 20583.5378 14453.7870 254.1336 -203413.7797 2362.2730 0.0000 0.0000 52172.1649 -109634.1322 299.8341 -161806.2971 -109269.1444 299.8145 36.7657 62.4591 759877.6797 2.0666 2.0292 PRESSURE: 554200 -295.26 205.977 69.7094 205.978 -124.335 -256.427 69.709 -256.426 -40.2414 GPRESSURE: 554200 -265.78 201.98 64.7034 286.825 -11.2629 -159.64 130.254 -164.094 -105.158 PRESSAVG: 554200 23.7401 3.10439 -6.98688 3.10442 -46.0695 -34.0673 -6.98687 -34.0673 21.1886 GPRESSAVG: 554200 21.9499 1.68083 -7.42009 4.26881 -45.2557 -33.2332 -6.14348 -33.1826 21.7885 TIMING: 554200 CPU: 1744.81, 0.00314096/step Wall: 1744.81, 0.00314096/step, 3.87891 hours remaining, 234.210938 MB of memory in use. ENERGY: 554200 3984.7492 20427.0465 14452.0109 253.6169 -203066.8637 2346.6332 0.0000 0.0000 51974.4082 -109628.3987 298.6976 -161602.8070 -109272.8979 299.0738 -153.2788 -127.4002 761148.1083 -0.3803 -0.5058 PRESSURE: 554400 52.8682 11.3885 -149.81 11.3886 92.4844 -8.11086 -149.811 -8.11118 -68.4044 GPRESSURE: 554400 118.609 -40.5876 -163.696 -14.7111 170.428 63.3004 -263.21 14.9877 -96.8359 PRESSAVG: 554400 -23.3952 -33.4821 -28.634 -33.4821 -20.645 40.5397 -28.634 40.5396 -10.5469 GPRESSAVG: 554400 -22.3333 -33.2393 -28.6814 -34.3042 -20.418 40.953 -27.5785 37.7158 -10.5591 TIMING: 554400 CPU: 1745.43, 0.00313536/step Wall: 1745.43, 0.00313536/step, 3.87182 hours remaining, 234.210938 MB of memory in use. ENERGY: 554400 3893.5486 20424.7951 14426.9861 244.5852 -203411.7888 2576.5452 0.0000 0.0000 52300.3039 -109545.0246 300.5706 -161845.3285 -109186.0445 299.4640 25.6494 64.0669 759533.8756 -18.1957 -17.7702 PRESSURE: 554600 -4.64825 63.8048 -152.417 63.8058 6.10002 132.249 -152.416 132.248 -349.543 GPRESSURE: 554600 60.0445 124.074 -114.859 -87.4747 -22.2719 100.002 -36.7366 28.5178 -294.526 PRESSAVG: 554600 9.8664 -22.4795 -56.5497 -22.4795 0.468975 -14.3507 -56.5497 -14.3507 16.4577 GPRESSAVG: 554600 10.554 -21.4132 -57.0756 -21.7353 0.470983 -14.9059 -57.8231 -17.1827 15.6683 TIMING: 554600 CPU: 1746.06, 0.00312762/step Wall: 1746.06, 0.00312762/step, 3.86209 hours remaining, 234.210938 MB of memory in use. ENERGY: 554600 3986.6418 20597.5851 14504.0044 246.7491 -203440.3716 2604.0756 0.0000 0.0000 52125.9083 -109375.4072 299.5683 -161501.3155 -109021.2064 299.7262 -116.0303 -85.5845 761395.8177 8.9310 8.8978 PRESSURE: 554800 68.0884 41.4469 213.984 41.4469 -5.12268 -228.893 213.985 -228.893 -261.177 GPRESSURE: 554800 97.6095 110.071 216.169 99.2312 67.2891 -196.858 137.679 -27.8899 -282.254 PRESSAVG: 554800 62.211 -16.7666 -4.99415 -16.7667 -79.36 15.8743 -4.9942 15.8742 -8.71479 GPRESSAVG: 554800 60.7602 -17.9989 -3.92016 -16.2226 -78.4349 16.3655 -4.84611 19.8395 -8.59884 TIMING: 554800 CPU: 1746.69, 0.00314607/step Wall: 1746.69, 0.00314607/step, 3.8847 hours remaining, 234.210938 MB of memory in use. ENERGY: 554800 4027.7480 20457.6387 14460.6483 258.3252 -203440.4212 2578.9841 0.0000 0.0000 52514.9172 -109142.1597 301.8040 -161657.0769 -108775.7265 299.6819 -66.0703 -39.1186 760289.4227 -8.6212 -8.7579 PRESSURE: 555000 43.2525 18.688 -42.0774 18.6884 71.0571 116.097 -42.0772 116.095 -113.638 GPRESSURE: 555000 41.1166 66.8779 -43.387 26.142 92.1381 106.758 -221.916 83.9017 -58.4381 PRESSAVG: 555000 33.5467 -63.3998 -40.2715 -63.3998 -58.9985 -2.79225 -40.2715 -2.79225 6.64946 GPRESSAVG: 555000 33.9756 -64.1864 -40.99 -63.0938 -60.0158 -1.87125 -40.5563 -2.52162 7.00501 TIMING: 555000 CPU: 1747.31, 0.00312604/step Wall: 1747.31, 0.00312604/step, 3.8598 hours remaining, 234.210938 MB of memory in use. ENERGY: 555000 4061.4298 20590.9856 14544.9860 244.9112 -203372.9137 2405.7128 0.0000 0.0000 52208.9528 -109315.9357 300.0456 -161524.8885 -108962.7653 299.7527 0.2240 24.9389 759156.5267 -6.2674 -6.3451 PRESSURE: 555200 -31.6204 -73.3295 29.4131 -73.33 -489.965 53.2426 29.413 53.2424 -173.086 GPRESSURE: 555200 -45.0584 -81.1857 -50.3786 -180.303 -417.898 44.4501 57.15 135.179 -159.926 PRESSAVG: 555200 65.0222 -19.6789 -60.5824 -19.679 -46.3146 0.761792 -60.5824 0.761765 -4.4462 GPRESSAVG: 555200 64.9755 -19.8965 -61.4918 -20.8458 -45.7071 -0.00654393 -60.497 0.975899 -4.88341 TIMING: 555200 CPU: 1747.94, 0.00313921/step Wall: 1747.94, 0.00313921/step, 3.87588 hours remaining, 234.210938 MB of memory in use. ENERGY: 555200 4030.6369 20435.5805 14479.6066 245.6295 -203419.0653 2535.4935 0.0000 0.0000 52267.8682 -109424.2501 300.3842 -161692.1183 -109070.1767 299.9689 -231.5570 -207.6276 760479.8100 4.7538 4.7950 PRESSURE: 555400 -140.682 3.96178 -65.4733 3.96242 -222.139 -206.617 -65.4737 -206.617 -115.943 GPRESSURE: 555400 -73.0465 64.5808 38.5 13.0329 -240.789 -235.259 -7.13384 -190.723 -81.7248 PRESSAVG: 555400 26.4243 -18.8212 -6.67037 -18.8212 -15.624 -62.922 -6.67037 -62.9219 -5.97765 GPRESSAVG: 555400 26.513 -19.6625 -5.43932 -17.5373 -16.3426 -65.2492 -5.83673 -61.8411 -5.6091 TIMING: 555400 CPU: 1748.57, 0.00313875/step Wall: 1748.57, 0.00313875/step, 3.87513 hours remaining, 234.210938 MB of memory in use. ENERGY: 555400 3917.9870 20297.3142 14492.6887 262.9347 -203490.9594 2501.4106 0.0000 0.0000 52248.9615 -109769.6628 300.2755 -162018.6243 -109406.1025 299.3977 -159.5880 -131.8534 761564.9387 1.6075 1.5204 PRESSURE: 555600 -69.1823 -183.106 44.8046 -183.106 -161.916 203.069 44.8045 203.069 -87.3893 GPRESSURE: 555600 -52.4106 -59.868 -57.3905 -149.803 -95.5005 146.852 24.0825 128.778 -108.613 PRESSAVG: 555600 -27.707 -29.8446 -24.3487 -29.8445 28.7353 -4.97813 -24.3487 -4.9781 -7.08659 GPRESSAVG: 555600 -27.0692 -27.4389 -25.6184 -30.9079 28.7712 -4.71478 -25.8507 -5.72082 -7.16114 TIMING: 555600 CPU: 1749.2, 0.00313957/step Wall: 1749.2, 0.00313957/step, 3.87597 hours remaining, 234.210938 MB of memory in use. ENERGY: 555600 4091.5547 20468.0067 14437.0663 254.6050 -203676.7128 2694.3349 0.0000 0.0000 51771.2533 -109959.8919 297.5301 -161731.1453 -109610.6097 298.4143 -106.1626 -85.5082 762792.5251 -2.0194 -1.8197 PRESSURE: 555800 238.116 -132.554 -233.599 -132.555 55.8499 87.8701 -233.599 87.8708 -20.3828 GPRESSURE: 555800 338.185 -195.669 -205.755 -190.777 56.1333 49.638 -178.881 172.182 -20.0177 PRESSAVG: 555800 -42.5436 -7.15577 -13.9996 -7.15575 41.2434 16.6807 -13.9996 16.6806 26.2238 GPRESSAVG: 555800 -42.2988 -7.30143 -14.0501 -7.97262 41.7447 18.6049 -12.7186 16.2165 26.2952 TIMING: 555800 CPU: 1749.82, 0.003142/step Wall: 1749.82, 0.003142/step, 3.8788 hours remaining, 234.210938 MB of memory in use. ENERGY: 555800 4000.5188 20365.5465 14475.4544 253.2959 -203805.8507 2687.4981 0.0000 0.0000 51960.3198 -110063.2172 298.6167 -162023.5369 -109703.1495 298.2580 91.1942 124.7668 760320.4801 8.3078 8.5804 PRESSURE: 556000 15.7676 94.4522 -95.7925 94.4524 227.753 31.701 -95.7929 31.7003 -2.71793 GPRESSURE: 556000 -44.9735 16.3432 -65.0177 -46.4883 308.073 -50.4612 -163.049 88.4837 30.975 PRESSAVG: 556000 -24.1718 -57.2837 -49.6243 -57.2837 24.5421 43.1173 -49.6243 43.1172 -5.55508 GPRESSAVG: 556000 -24.9045 -56.8945 -48.5727 -58.7084 25.0606 42.0765 -48.9249 43.3219 -5.55546 TIMING: 556000 CPU: 1750.45, 0.00313418/step Wall: 1750.45, 0.00313418/step, 3.86897 hours remaining, 234.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 556000 3926.3619 20376.1192 14457.3589 254.5228 -203180.6528 2681.1648 0.0000 0.0000 51586.9809 -109898.1443 296.4711 -161485.1252 -109537.9227 298.0592 80.2676 98.0249 761365.0314 -1.7283 -1.7998 PRESSURE: 556200 38.5532 -132.07 95.2763 -132.069 -144.433 -64.8919 95.2764 -64.8931 -191.215 GPRESSURE: 556200 36.6175 -106.262 106.678 -24.1618 -69.6439 -75.7167 114.292 -79.9956 -175.028 PRESSAVG: 556200 -47.6491 12.4792 -19.1321 12.4792 7.14308 11.5413 -19.1321 11.5413 14.8497 GPRESSAVG: 556200 -46.7725 12.3801 -20.4008 16.8142 6.11728 12.2019 -20.557 10.4039 15.4735 TIMING: 556200 CPU: 1751.08, 0.0031352/step Wall: 1751.08, 0.0031352/step, 3.87005 hours remaining, 234.210938 MB of memory in use. ENERGY: 556200 3966.1213 20279.9285 14472.3422 241.2704 -203225.1754 2468.9274 0.0000 0.0000 51886.7594 -109909.8263 298.1939 -161796.5857 -109551.1510 298.0480 -99.0317 -69.3515 761015.5057 -8.5521 -8.3939 LDB: ============= START OF LOAD BALANCING ============== 1763.48 LDB: ============== END OF LOAD BALANCING =============== 1763.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1763.48 LDB: ============= START OF LOAD BALANCING ============== 1763.79 LDB: Largest compute 7064 load 0.031068 is 15.9% of average load 0.195789 LDB: Average compute 0.004378 is 2.2% of average load 0.195789 LDB: TIME 1763.79 LOAD: AVG 0.195789 MAX 0.217256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.285 MB LDB: TIME 1763.8 LOAD: AVG 0.195789 MAX 0.217256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.285 MB LDB: TIME 1763.8 LOAD: AVG 0.195789 MAX 0.217256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.285 MB LDB: ============== END OF LOAD BALANCING =============== 1763.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1763.8 PRESSURE: 556400 -242.596 134.167 -68.5747 134.167 -200.818 -128.696 -68.5752 -128.696 -191.405 GPRESSURE: 556400 -186.325 57.0889 12.2297 13.0787 -190.279 -124.998 -85.04 -136.908 -180.165 PRESSAVG: 556400 -0.222312 11.5868 -84.0707 11.5869 -25.4206 32.6817 -84.0707 32.6817 1.10113 GPRESSAVG: 556400 -1.08256 10.0515 -82.1147 10.0511 -25.0759 31.8471 -82.788 34.3774 1.46828 TIMING: 556400 CPU: 1751.72, 0.00320679/step Wall: 1751.72, 0.00320679/step, 3.95825 hours remaining, 232.957031 MB of memory in use. ENERGY: 556400 3951.4466 20506.4294 14448.9087 236.9113 -203428.6251 2483.7778 0.0000 0.0000 51841.5295 -109959.6218 297.9340 -161801.1513 -109604.1344 297.9806 -211.6063 -185.5900 762033.2577 -8.1806 -8.2301 PRESSURE: 556600 67.5863 185.463 48.6045 185.464 -276.234 -32.1813 48.6056 -32.1812 103.293 GPRESSURE: 556600 13.7544 256.2 -55.0747 79.4605 -199.437 -89.0001 39.331 -87.0012 157.931 PRESSAVG: 556600 -1.89649 -13.8503 9.8689 -13.8503 39.1246 34.4976 9.86893 34.4976 -20.4034 GPRESSAVG: 556600 -0.418975 -13.2841 8.40223 -12.22 38.0672 35.8967 11.012 35.2787 -19.91 TIMING: 556600 CPU: 1752.35, 0.00314723/step Wall: 1752.35, 0.00314723/step, 3.88455 hours remaining, 233.199219 MB of memory in use. ENERGY: 556600 3947.0513 20379.8864 14457.3821 258.7891 -203387.2220 2587.9507 0.0000 0.0000 51942.7205 -109813.4417 298.5155 -161756.1623 -109450.1623 298.1596 -35.1182 -9.2505 762040.8548 5.6082 5.9127 PRESSURE: 556800 103.059 -17.6556 -218.322 -17.6555 95.5715 191.349 -218.322 191.348 -64.2122 GPRESSURE: 556800 35.0413 57.9795 -230.868 87.0795 210.517 246.739 -138.423 62.0865 -34.1729 PRESSAVG: 556800 -23.4873 22.1127 -47.6859 22.1127 0.308373 -0.274658 -47.686 -0.274674 -9.29593 GPRESSAVG: 556800 -23.6733 23.2636 -47.5741 20.3685 1.26858 -2.40639 -47.4121 -1.79248 -10.0101 TIMING: 556800 CPU: 1752.98, 0.00314802/step Wall: 1752.98, 0.00314802/step, 3.88535 hours remaining, 233.402344 MB of memory in use. ENERGY: 556800 3909.2367 20406.9162 14445.1607 252.0761 -203376.3155 2627.2253 0.0000 0.0000 52004.9935 -109730.7069 298.8734 -161735.7004 -109373.9528 298.5743 44.8060 70.4618 761069.9650 -10.8250 -10.8049 PRESSURE: 557000 2.69795 25.417 -126.264 25.4168 -159.349 -171.512 -126.264 -171.512 161.096 GPRESSURE: 557000 33.7117 18.1772 -22.2528 37.7762 -123.854 -170.475 -108.876 -147.06 169.71 PRESSAVG: 557000 -21.8206 -35.5773 -34.1345 -35.5774 17.3854 16.4966 -34.1344 16.4965 20.9299 GPRESSAVG: 557000 -22.2666 -36.3713 -34.0577 -35.3171 16.9298 15.7667 -34.7472 15.7262 21.8624 TIMING: 557000 CPU: 1753.61, 0.00313234/step Wall: 1753.61, 0.00313234/step, 3.86583 hours remaining, 233.402344 MB of memory in use. ENERGY: 557000 4008.9726 20564.4982 14459.4916 249.7533 -203690.6824 2964.9934 0.0000 0.0000 51618.2549 -109824.7184 296.6508 -161442.9733 -109478.9654 298.3614 1.4817 26.5228 762204.3115 5.4982 5.5085 PRESSURE: 557200 -125.643 10.8292 -121.69 10.8294 229.197 69.3892 -121.69 69.3889 -134.118 GPRESSURE: 557200 -179.611 16.1034 -248.044 -79.2104 316.222 103.668 -57.0719 118.66 -76.9112 PRESSAVG: 557200 -2.16703 -26.5325 -16.3096 -26.5325 9.55825 55.5992 -16.3096 55.5992 0.817438 GPRESSAVG: 557200 -2.31159 -27.7225 -16.5733 -26.8814 10.2237 57.7223 -16.8136 56.9034 0.21769 TIMING: 557200 CPU: 1754.23, 0.00313748/step Wall: 1754.23, 0.00313748/step, 3.872 hours remaining, 233.402344 MB of memory in use. ENERGY: 557200 3979.0115 20422.2117 14455.6542 237.1239 -203598.8296 2712.5015 0.0000 0.0000 52123.6601 -109668.6667 299.5554 -161792.3268 -109306.3314 298.2988 -10.1877 19.8997 760658.2271 2.7362 2.7099 PRESSURE: 557400 136.546 -69.6159 36.2957 -69.6152 -25.6312 65.1181 36.2953 65.1177 444.624 GPRESSURE: 557400 266.523 -4.89734 61.6284 -58.2981 -25.4445 33.4297 60.825 57.2682 396.446 PRESSAVG: 557400 21.3776 -48.073 -13.4914 -48.073 4.03469 14.4041 -13.4914 14.4042 -1.35494 GPRESSAVG: 557400 21.7588 -47.8121 -12.2868 -48.4816 3.47724 13.606 -14.3149 14.4041 -1.58353 TIMING: 557400 CPU: 1754.86, 0.00315201/step Wall: 1754.86, 0.00315201/step, 3.88976 hours remaining, 233.402344 MB of memory in use. ENERGY: 557400 3931.2701 20363.1797 14546.5099 238.8798 -203385.4976 2795.9282 0.0000 0.0000 51997.8627 -109511.8672 298.8324 -161509.7299 -109137.6043 299.2283 185.1795 212.5081 761019.9840 8.0191 7.8842 PRESSURE: 557600 254.503 116.472 72.5367 116.471 369.383 19.4942 72.5366 19.4941 -131.697 GPRESSURE: 557600 268.121 -43.3795 99.7685 40.8598 434.835 11.019 94.0014 89.0824 -141.53 PRESSAVG: 557600 -39.1727 41.8347 29.0083 41.8348 37.3833 72.2823 29.0082 72.2823 23.1046 GPRESSAVG: 557600 -39.6245 42.7274 28.384 41.9661 37.6388 72.4686 30.0442 72.7481 23.3243 TIMING: 557600 CPU: 1755.49, 0.00314473/step Wall: 1755.49, 0.00314473/step, 3.8806 hours remaining, 233.402344 MB of memory in use. ENERGY: 557600 3982.1756 20510.0590 14556.6497 232.8615 -203080.5565 2331.6882 0.0000 0.0000 51975.7126 -109491.4101 298.7051 -161467.1227 -109128.6481 299.1721 164.0632 187.1419 761334.9219 7.1051 7.1129 PRESSURE: 557800 29.009 -314.527 22.9625 -314.528 -223.645 -60.2538 22.9625 -60.2545 -41.7504 GPRESSURE: 557800 55.3923 -247.56 12.7449 -240.978 -199.482 -97.7359 -35.0783 -42.993 -0.159283 PRESSAVG: 557800 -16.3974 -2.29447 0.286439 -2.2945 41.4319 48.9092 0.286446 48.9092 -37.8787 GPRESSAVG: 557800 -16.3424 -1.4079 0.775367 0.0184688 41.2021 49.1557 0.868886 49.7356 -37.5323 TIMING: 557800 CPU: 1756.12, 0.00313544/step Wall: 1756.12, 0.00313544/step, 3.86895 hours remaining, 233.402344 MB of memory in use. ENERGY: 557800 4041.2354 20480.9257 14542.7590 234.9261 -203195.1560 2447.4326 0.0000 0.0000 52044.3019 -109403.5752 299.0993 -161447.8771 -109044.9694 299.6204 -78.7954 -48.0831 761258.4144 -4.2814 -4.2242 PRESSURE: 558000 277.884 234.768 139.708 234.768 364.358 299.323 139.708 299.323 119.957 GPRESSURE: 558000 328.844 240.178 134.332 207.789 397.735 380.81 10.7169 136.056 100.623 PRESSAVG: 558000 -9.1908 -1.58271 -16.5097 -1.58269 44.6544 17.0724 -16.5097 17.0725 15.5151 GPRESSAVG: 558000 -8.58725 -2.24995 -16.2572 -4.2412 43.6449 16.1255 -18.4853 16.3387 16.3351 TIMING: 558000 CPU: 1756.75, 0.00314285/step Wall: 1756.75, 0.00314285/step, 3.87793 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 558000 3892.7913 20564.0204 14462.2145 248.9352 -203370.2838 2588.8083 0.0000 0.0000 52106.7062 -109506.8080 299.4580 -161613.5142 -109147.8153 299.1624 254.0662 275.7338 760691.3312 16.9929 17.1309 PRESSURE: 558200 -51.739 232.26 -79.6042 232.26 74.8395 93.6225 -79.6038 93.6223 97.621 GPRESSURE: 558200 77.95 274.378 -142.121 151.404 60.6483 139.49 -181.084 -5.16056 74.0518 PRESSAVG: 558200 -64.8882 -3.13404 -3.17582 -3.13404 20.2339 33.0721 -3.17584 33.072 1.609 GPRESSAVG: 558200 -64.3663 -3.73458 -4.63011 -1.61205 21.5495 32.0798 -2.09608 31.975 -0.289571 TIMING: 558200 CPU: 1757.37, 0.00311898/step Wall: 1757.37, 0.00311898/step, 3.8483 hours remaining, 233.402344 MB of memory in use. ENERGY: 558200 3994.8441 20507.7328 14480.6228 239.4730 -202781.5274 1942.0864 0.0000 0.0000 52130.5754 -109486.1929 299.5951 -161616.7684 -109127.7348 299.4424 40.2405 70.8834 759220.3141 -14.3484 -14.3688 PRESSURE: 558400 -197.671 60.0168 47.8829 60.0169 -197.585 111.476 47.8823 111.476 222.656 GPRESSURE: 558400 -219.793 127.031 -28.4475 179.918 -76.0839 85.9379 75.3092 57.8437 189.348 PRESSAVG: 558400 -32.5145 -39.1007 15.5569 -39.1008 68.8827 -0.451166 15.5569 -0.451198 -14.7781 GPRESSAVG: 558400 -34.0018 -40.0132 15.5604 -39.1405 69.618 1.50405 15.2257 -1.69906 -14.3417 TIMING: 558400 CPU: 1757.99, 0.0031138/step Wall: 1757.99, 0.00311381/step, 3.84174 hours remaining, 233.402344 MB of memory in use. ENERGY: 558400 4009.8286 20476.4178 14436.1771 250.9468 -203539.3763 2578.5567 0.0000 0.0000 52354.4006 -109433.0487 300.8815 -161787.4493 -109065.6923 299.2863 -57.5331 -35.5093 760185.8394 7.1967 7.0915 PRESSURE: 558600 129.31 -1.80065 123.643 -1.80136 329.109 118.187 123.642 118.188 76.5521 GPRESSURE: 558600 219.365 64.6596 106.986 -19.8812 306.928 172.501 122.895 26.0852 108.097 PRESSAVG: 558600 -46.0712 -19.6105 26.7979 -19.6105 28.4309 54.753 26.7978 54.753 13.0583 GPRESSAVG: 558600 -45.5257 -16.9867 26.473 -21.5636 27.81 54.5526 27.7554 57.1947 13.1482 TIMING: 558600 CPU: 1758.62, 0.00312832/step Wall: 1758.62, 0.00312832/step, 3.85947 hours remaining, 233.402344 MB of memory in use. ENERGY: 558600 3933.1351 20547.5725 14481.9326 231.9704 -203470.1175 2527.8239 0.0000 0.0000 52029.7722 -109717.9108 299.0158 -161747.6830 -109351.8986 299.2213 178.3237 211.4633 759566.4708 -1.5273 -1.5225 PRESSURE: 558800 -42.8182 -185.668 71.3948 -185.669 -110.645 368.032 71.3954 368.032 -410.631 GPRESSURE: 558800 87.3729 -136.51 -53.0738 -106.501 -219.9 406.111 112.806 388.085 -345.116 PRESSAVG: 558800 -12.0021 -33.5742 -34.4948 -33.5742 -38.6707 29.9965 -34.4948 29.9966 -10.1894 GPRESSAVG: 558800 -11.962 -36.5628 -31.6138 -30.2758 -37.936 29.2606 -35.246 30.8451 -11.6068 TIMING: 558800 CPU: 1759.25, 0.00312431/step Wall: 1759.25, 0.00312431/step, 3.85436 hours remaining, 233.402344 MB of memory in use. ENERGY: 558800 3981.0297 20661.9022 14502.3069 256.4199 -203220.0530 2467.5264 0.0000 0.0000 51854.4330 -109496.4350 298.0081 -161350.8680 -109134.2614 299.1838 -188.0313 -159.2145 760410.0899 -20.2874 -20.5016 PRESSURE: 559000 -21.7196 40.0535 -95.3734 40.0536 -238.838 58.4944 -95.3728 58.4941 172.34 GPRESSURE: 559000 -6.98121 102.514 -67.5303 44.4145 -168.54 -2.5488 -145.546 152.942 158.457 PRESSAVG: 559000 -18.4556 -23.4031 -75.0598 -23.4031 25.3087 -17.9485 -75.0598 -17.9486 -22.7607 GPRESSAVG: 559000 -18.5183 -21.7773 -76.4364 -25.0395 24.1842 -18.8333 -74.3014 -17.8462 -22.0086 TIMING: 559000 CPU: 1759.87, 0.00312573/step Wall: 1759.87, 0.00312573/step, 3.85593 hours remaining, 233.402344 MB of memory in use. ENERGY: 559000 4010.1951 20604.2223 14472.7737 263.6163 -203299.5820 2522.4287 0.0000 0.0000 51874.8446 -109551.5013 298.1254 -161426.3459 -109191.3546 299.2010 -29.4060 -5.6881 760777.3329 -5.3025 -5.4476 PRESSURE: 559200 125.396 143.07 -252.67 143.07 -260.249 17.8061 -252.67 17.8074 -123.187 GPRESSURE: 559200 119.442 215.416 -223.05 -20.8909 -233.538 24.8704 -183.557 98.0449 -65.0188 PRESSAVG: 559200 -28.3681 -52.5486 -21.4437 -52.5485 38.595 37.8774 -21.4436 37.8773 27.1417 GPRESSAVG: 559200 -29.2682 -53.0553 -20.8811 -53.806 37.832 38.0922 -20.0786 36.3678 28.706 TIMING: 559200 CPU: 1760.5, 0.0031275/step Wall: 1760.5, 0.0031275/step, 3.85795 hours remaining, 233.402344 MB of memory in use. ENERGY: 559200 4076.8965 20326.5566 14516.9985 257.1564 -203549.6902 2571.4820 0.0000 0.0000 52128.9641 -109671.6360 299.5859 -161800.6001 -109304.3775 299.0576 -86.0132 -59.7046 760754.3462 12.4562 12.4233 PRESSURE: 559400 -58.2479 90.0508 -195.614 90.0513 -9.29638 193.571 -195.615 193.57 42.5654 GPRESSURE: 559400 34.751 81.6924 -169.171 140.864 -2.93553 120.583 -160.614 272.397 31.3844 PRESSAVG: 559400 -45.0392 -49.1687 -9.9489 -49.1687 56.3029 11.7985 -9.94894 11.7985 -4.55039 GPRESSAVG: 559400 -44.7974 -50.6251 -11.1434 -48.0989 57.2365 11.986 -10.6444 12.1509 -5.73197 TIMING: 559400 CPU: 1761.12, 0.00314146/step Wall: 1761.12, 0.00314146/step, 3.87499 hours remaining, 233.402344 MB of memory in use. ENERGY: 559400 3992.0370 20525.6245 14468.1186 265.4616 -203932.1822 2919.2850 0.0000 0.0000 52039.9952 -109721.6603 299.0746 -161761.6555 -109358.8328 299.1307 -8.3263 21.0666 759679.1220 2.2378 2.2357 PRESSURE: 559600 195.252 47.6241 -65.7542 47.6241 -42.6419 8.29547 -65.7535 8.29583 119.468 GPRESSURE: 559600 156.982 101.956 -73.7807 -41.274 34.0391 -11.8495 -89.3291 14.3701 169.314 PRESSAVG: 559600 38.2403 -48.0585 -2.71207 -48.0585 0.106032 -53.3667 -2.71211 -53.3668 -5.15567 GPRESSAVG: 559600 37.5953 -47.3832 -3.11826 -47.6483 0.677519 -54.6189 -3.97057 -52.2772 -5.09746 TIMING: 559600 CPU: 1761.75, 0.00313723/step Wall: 1761.75, 0.00313723/step, 3.8696 hours remaining, 233.402344 MB of memory in use. ENERGY: 559600 3953.7958 20541.2097 14541.1214 255.1899 -203650.2237 2642.4601 0.0000 0.0000 52040.8787 -109675.5680 299.0796 -161716.4468 -109313.9207 299.2915 90.6926 120.1118 760246.6611 11.0636 11.0584 PRESSURE: 559800 -429.538 -341.138 -248.689 -341.137 -90.8801 -74.7091 -248.689 -74.709 -85.9699 GPRESSURE: 559800 -304.888 -322.15 -331.785 -320.201 -75.0503 -50.5396 -115.348 -245.931 -141.413 PRESSAVG: 559800 -11.6459 -22.4717 -28.5481 -22.4717 -5.2381 -32.0178 -28.5481 -32.0179 2.97335 GPRESSAVG: 559800 -11.2921 -21.8648 -27.0756 -23.01 -6.03899 -30.9138 -29.3945 -32.9919 3.46171 TIMING: 559800 CPU: 1762.38, 0.00313983/step Wall: 1762.38, 0.00313983/step, 3.87264 hours remaining, 233.402344 MB of memory in use. ENERGY: 559800 4018.7095 20460.6778 14443.8360 254.8032 -203439.2928 2376.8793 0.0000 0.0000 52391.9931 -109492.3940 301.0975 -161884.3870 -109124.7800 299.2990 -202.1293 -173.7837 759910.5325 -4.6369 -4.6231 PRESSURE: 560000 -88.379 -12.0561 -206.968 -12.0567 -114.758 -167.865 -206.967 -167.864 378.288 GPRESSURE: 560000 4.86079 22.351 -134.677 -102.008 -116.454 -212.364 -230.188 -37.37 374.869 PRESSAVG: 560000 4.72927 -50.2731 -18.224 -50.2731 46.5577 37.6493 -18.2239 37.6493 -2.98589 GPRESSAVG: 560000 6.1353 -51.8606 -19.2943 -50.4715 45.8151 36.9104 -17.1953 36.9556 -3.75108 TIMING: 560000 CPU: 1763.01, 0.0031461/step Wall: 1763.01, 0.0031461/step, 3.88019 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 560000 3979.0496 20294.7684 14512.7684 248.3342 -203444.7284 2735.8403 0.0000 0.0000 52167.7238 -109506.2437 299.8086 -161673.9675 -109132.5326 299.2809 58.3837 87.7585 759296.6904 16.1003 16.0664 PRESSURE: 560200 199.239 -77.0764 -119.483 -77.0765 -89.0901 39.8507 -119.482 39.8514 328.324 GPRESSURE: 560200 289.849 -86.7761 -86.1438 -157.683 -21.2258 98.1818 -201.084 -4.53915 269.833 PRESSAVG: 560200 5.02519 -15.7025 -44.1492 -15.7025 8.1985 25.6036 -44.1491 25.6036 19.6449 GPRESSAVG: 560200 3.46108 -16.3199 -42.8357 -15.1565 8.58963 28.0525 -44.3836 26.0893 20.2707 TIMING: 560200 CPU: 1763.64, 0.00313857/step Wall: 1763.64, 0.00313857/step, 3.87073 hours remaining, 233.402344 MB of memory in use. ENERGY: 560200 3994.6444 20451.9239 14472.9979 222.2600 -203660.3720 2852.8990 0.0000 0.0000 52314.5857 -109351.0611 300.6526 -161665.6467 -108989.2367 299.2133 146.1578 179.4852 760474.1533 10.9562 10.7738 LDB: ============= START OF LOAD BALANCING ============== 1776.03 LDB: ============== END OF LOAD BALANCING =============== 1776.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1776.04 LDB: ============= START OF LOAD BALANCING ============== 1776.35 LDB: Largest compute 7064 load 0.033384 is 17.0% of average load 0.195824 LDB: Average compute 0.004392 is 2.2% of average load 0.195824 LDB: TIME 1776.35 LOAD: AVG 0.195824 MAX 0.214337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.648 MB LDB: TIME 1776.35 LOAD: AVG 0.195824 MAX 0.214337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.648 MB LDB: TIME 1776.35 LOAD: AVG 0.195824 MAX 0.214337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.648 MB LDB: ============== END OF LOAD BALANCING =============== 1776.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1776.36 PRESSURE: 560400 67.6096 -66.7711 277.43 -66.771 0.754128 41.1837 277.428 41.1843 -212.306 GPRESSURE: 560400 101.558 -30.8023 323.674 -139.958 35.4592 19.858 406.523 -39.7918 -209.793 PRESSAVG: 560400 -26.7536 -21.0832 39.3208 -21.0831 7.20136 24.6591 39.3208 24.6592 2.38086 GPRESSAVG: 560400 -26.4306 -19.38 38.9053 -20.8637 6.91659 23.6292 39.4207 21.7249 2.0269 TIMING: 560400 CPU: 1764.28, 0.00320011/step Wall: 1764.28, 0.00320011/step, 3.94645 hours remaining, 232.648438 MB of memory in use. ENERGY: 560400 3985.7609 20584.2015 14472.0665 249.1014 -203363.6809 2261.3329 0.0000 0.0000 52265.0630 -109546.1546 300.3680 -161811.2176 -109187.1312 299.3421 -47.9807 -24.2585 760955.9045 -5.7238 -5.8290 PRESSURE: 560600 -589.572 -292.594 6.81382 -292.594 -177.788 -60.7238 6.8147 -60.7238 -226.813 GPRESSURE: 560600 -476.048 -172.765 -75.4993 -248.929 -135.033 -124.863 39.8064 30.0473 -306.487 PRESSAVG: 560600 6.59891 -51.5472 -14.601 -51.5473 -17.3574 35.3461 -14.6011 35.3461 -2.0505 GPRESSAVG: 560600 6.08285 -51.838 -12.9395 -51.9967 -17.3336 34.5211 -16.4468 39.1081 -1.68995 TIMING: 560600 CPU: 1764.9, 0.00313953/step Wall: 1764.9, 0.00313953/step, 3.87156 hours remaining, 232.648438 MB of memory in use. ENERGY: 560600 4062.0892 20682.3460 14459.3813 247.9559 -203134.6782 2201.6008 0.0000 0.0000 52097.8658 -109383.4392 299.4072 -161481.3050 -109015.8393 299.4084 -331.3910 -305.8560 760652.6634 -4.2697 -4.3136 PRESSURE: 560800 -536.789 387.357 -64.7214 387.357 -461.721 55.9297 -64.7213 55.9296 -411.015 GPRESSURE: 560800 -491.564 223.731 -17.9079 226.492 -434.418 175.865 17.5855 1.92629 -385.053 PRESSAVG: 560800 30.2803 -29.105 -29.9613 -29.1049 -0.126827 25.6836 -29.9612 25.6835 -16.7711 GPRESSAVG: 560800 30.2803 -28.6109 -32.6647 -28.0717 -0.440661 25.4666 -28.8491 27.0018 -16.2691 TIMING: 560800 CPU: 1765.53, 0.00315308/step Wall: 1765.53, 0.00315308/step, 3.8881 hours remaining, 232.648438 MB of memory in use. ENERGY: 560800 4061.1559 20506.8431 14497.4419 257.3213 -202843.3489 2054.4055 0.0000 0.0000 52191.2741 -109274.9071 299.9440 -161466.1812 -108907.6382 299.4512 -469.8414 -437.0114 760123.2675 4.4608 4.5235 PRESSURE: 561000 -24.4799 -77.8692 145.826 -77.8693 433.988 -17.9471 145.827 -17.9471 235.455 GPRESSURE: 561000 63.3676 -115.958 154.81 -49.4518 481.707 -49.7879 94.4856 -91.2661 183.63 PRESSAVG: 561000 -60.9284 -72.0734 23.8056 -72.0734 22.4187 29.461 23.8056 29.4611 -17.101 GPRESSAVG: 561000 -61.9879 -72.497 23.9472 -72.6531 22.5465 29.809 24.1866 26.5777 -16.1157 TIMING: 561000 CPU: 1766.17, 0.00315798/step Wall: 1766.17, 0.00315798/step, 3.89396 hours remaining, 232.648438 MB of memory in use. ENERGY: 561000 3967.8408 20527.0294 14446.9056 252.8014 -203136.0417 2500.8215 0.0000 0.0000 52115.4200 -109325.2231 299.5080 -161440.6431 -108967.5559 299.1769 214.9876 242.9017 759332.3833 -18.5369 -18.5190 PRESSURE: 561200 -86.7297 -281.113 97.8108 -281.114 -49.5813 -139.032 97.8109 -139.032 -101.627 GPRESSURE: 561200 -28.1133 -158.48 114.786 -169.845 -54.5477 -56.3415 50.9961 -277.628 -64.8035 PRESSAVG: 561200 -3.10015 -13.2653 11.5446 -13.2653 22.0986 -28.2728 11.5447 -28.2728 45.318 GPRESSAVG: 561200 -1.92045 -14.6078 13.2782 -13.9702 22.4424 -28.9 12.2465 -26.4519 44.0464 TIMING: 561200 CPU: 1766.79, 0.00313111/step Wall: 1766.79, 0.00313111/step, 3.86066 hours remaining, 232.648438 MB of memory in use. ENERGY: 561200 3972.5144 20599.7079 14497.0900 276.8265 -202900.6626 2172.2385 0.0000 0.0000 51994.7262 -109387.5592 298.8144 -161382.2854 -109028.6217 299.5411 -79.3126 -49.1548 760377.0234 21.4388 21.5228 PRESSURE: 561400 96.5525 66.1864 -51.565 66.1863 -79.6999 -166.643 -51.5655 -166.643 -193.627 GPRESSURE: 561400 110.337 39.3235 -29.2218 142.334 -10.9311 -144.163 -61.1004 -165.194 -202.669 PRESSAVG: 561400 8.71343 -31.9289 33.6185 -31.9289 24.035 3.76996 33.6186 3.76997 -8.26212 GPRESSAVG: 561400 9.59705 -28.7544 32.2045 -29.0819 23.126 5.14346 31.6337 -0.280899 -8.43035 TIMING: 561400 CPU: 1767.42, 0.0031219/step Wall: 1767.42, 0.0031219/step, 3.84912 hours remaining, 232.648438 MB of memory in use. ENERGY: 561400 4069.7420 20328.0168 14489.6787 264.8412 -203461.6445 2555.5884 0.0000 0.0000 52199.2913 -109554.4861 299.9900 -161753.7774 -109180.7202 299.0817 -58.9249 -34.4208 760724.6818 8.1621 8.0976 PRESSURE: 561600 391.898 131.673 183.183 131.672 158.422 46.3327 183.184 46.3336 -4.26348 GPRESSURE: 561600 401.515 57.836 175.472 46.3796 260.218 -21.9928 303.069 53.0815 -47.8032 PRESSAVG: 561600 8.00046 55.4025 37.2719 55.4026 5.29052 29.3042 37.2719 29.3043 6.57039 GPRESSAVG: 561600 7.16473 53.4663 39.067 51.435 5.35995 29.2653 38.8828 29.9072 7.13182 TIMING: 561600 CPU: 1768.04, 0.0031304/step Wall: 1768.04, 0.0031304/step, 3.85943 hours remaining, 232.648438 MB of memory in use. ENERGY: 561600 4008.9216 20637.7001 14467.1713 220.6887 -203670.1781 2673.4132 0.0000 0.0000 52030.6231 -109631.6601 299.0207 -161662.2832 -109265.9536 298.7760 182.0188 204.6433 759794.7322 6.6205 6.5522 PRESSURE: 561800 -54.0014 28.4858 180.353 28.4855 143.257 -6.17503 180.354 -6.17625 -63.1313 GPRESSURE: 561800 4.09095 58.6082 145.746 55.2578 90.1468 66.3151 188.171 88.3217 25.5342 PRESSAVG: 561800 -25.9794 12.2471 40.5252 12.247 45.1454 -4.94718 40.5252 -4.94723 5.99725 GPRESSAVG: 561800 -27.585 10.5652 37.2226 12.2592 46.8332 -6.4665 44.3149 -1.573 6.00777 TIMING: 561800 CPU: 1768.67, 0.00313123/step Wall: 1768.67, 0.00313123/step, 3.86029 hours remaining, 232.648438 MB of memory in use. ENERGY: 561800 3984.8942 20522.8186 14384.5212 237.4766 -203022.9499 2364.2482 0.0000 0.0000 51955.0491 -109573.9420 298.5864 -161528.9911 -109209.4123 299.0705 8.7082 39.9240 760157.6645 8.3878 8.4186 PRESSURE: 562000 -134.39 63.4948 -176.768 63.4945 150.614 -43.087 -176.768 -43.0876 37.1051 GPRESSURE: 562000 -33.1421 115.569 -69.5579 136.855 138.4 7.94061 -211.714 -31.1764 53.7224 PRESSAVG: 562000 38.5896 -28.0415 45.5888 -28.0415 -28.3321 42.0355 45.5887 42.0356 11.7122 GPRESSAVG: 562000 41.113 -27.2461 46.646 -28.2477 -30.5719 43.6407 43.8594 39.9416 11.5753 TIMING: 562000 CPU: 1769.29, 0.00311812/step Wall: 1769.29, 0.00311812/step, 3.84395 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 562000 3984.5017 20427.7367 14495.6558 235.7067 -203203.1616 2400.9549 0.0000 0.0000 51986.5477 -109672.0580 298.7674 -161658.6057 -109308.5869 299.1645 17.7766 52.9933 759991.1279 7.3232 7.3721 PRESSURE: 562200 173.997 152.427 -42.8905 152.427 -239.534 -172.789 -42.8913 -172.789 -405.366 GPRESSURE: 562200 175.665 120.13 50.3875 139.99 -187.232 -224.98 -109.783 -174.172 -355.289 PRESSAVG: 562200 38.3696 -13.8621 -17.4564 -13.8621 -41.6312 -47.0284 -17.4565 -47.0285 0.978025 GPRESSAVG: 562200 37.4083 -14.5613 -17.0888 -11.1986 -40.913 -46.8185 -20.5978 -47.4792 1.52774 TIMING: 562200 CPU: 1769.92, 0.00313175/step Wall: 1769.92, 0.00313174/step, 3.86057 hours remaining, 232.648438 MB of memory in use. ENERGY: 562200 4000.0071 20278.7306 14451.2671 241.6606 -203328.5287 2644.1356 0.0000 0.0000 52043.6113 -109669.1165 299.0953 -161712.7278 -109301.9462 298.9274 -156.9675 -122.2854 759846.1713 -0.7612 -0.6590 PRESSURE: 562400 283.067 40.0957 -43.7644 40.096 198.058 -154.635 -43.7652 -154.635 -180.655 GPRESSURE: 562400 286.592 30.9281 -8.93744 10.0533 195.648 -176.831 -51.1786 -280.724 -101.079 PRESSAVG: 562400 28.5405 -41.9857 2.83632 -41.9856 -25.3 -5.08538 2.83632 -5.08539 11.9287 GPRESSAVG: 562400 29.7898 -41.467 3.39968 -42.5693 -25.915 -5.25635 5.26908 -5.29639 11.2801 TIMING: 562400 CPU: 1770.55, 0.00313611/step Wall: 1770.55, 0.00313611/step, 3.86577 hours remaining, 232.648438 MB of memory in use. ENERGY: 562400 3911.5650 20678.8181 14498.2843 226.0145 -203369.2959 2750.2660 0.0000 0.0000 51735.3480 -109569.0000 297.3238 -161304.3480 -109206.7182 298.7384 100.1567 127.0538 761562.0248 5.0564 5.0516 PRESSURE: 562600 -11.9341 178.401 -16.1504 178.402 437.625 328.995 -16.1499 328.995 556.062 GPRESSURE: 562600 -22.9628 281.67 -97.3051 -32.743 483.278 331.132 40.8307 324.257 587.265 PRESSAVG: 562600 -13.3969 -62.4966 19.6017 -62.4966 10.9679 13.923 19.6017 13.9231 17.8382 GPRESSAVG: 562600 -15.272 -59.8848 19.1582 -65.1037 12.8886 13.8398 19.2751 13.1685 17.1133 TIMING: 562600 CPU: 1771.17, 0.0031304/step Wall: 1771.17, 0.0031304/step, 3.85856 hours remaining, 232.648438 MB of memory in use. ENERGY: 562600 3911.1156 20462.5641 14424.6129 245.8584 -203431.7330 2510.9330 0.0000 0.0000 52311.8462 -109564.8027 300.6369 -161876.6489 -109190.0432 299.1957 327.2511 349.1936 759437.1433 5.1364 4.9100 PRESSURE: 562800 210.426 160.13 139.269 160.129 -51.8753 -150.395 139.269 -150.395 380.629 GPRESSURE: 562800 306.808 179.827 60.2318 30.2301 -34.9148 -92.8211 105.047 -69.2808 324.485 PRESSAVG: 562800 -0.960193 -57.2683 -23.1866 -57.2683 14.355 -66.145 -23.1866 -66.1449 -0.866795 GPRESSAVG: 562800 -1.64839 -57.3264 -22.7249 -55.2007 14.043 -66.4415 -22.1319 -64.2566 0.291509 TIMING: 562800 CPU: 1771.8, 0.00313048/step Wall: 1771.8, 0.00313048/step, 3.85849 hours remaining, 232.648438 MB of memory in use. ENERGY: 562800 4026.0571 20565.5304 14432.0983 250.2483 -203335.8951 2566.5302 0.0000 0.0000 51897.9029 -109597.5279 298.2580 -161495.4308 -109230.3956 299.0470 179.7266 198.7926 760003.4067 4.1760 4.2287 PRESSURE: 563000 -42.8839 -178.192 -119.057 -178.192 -51.8526 -17.8192 -119.057 -17.8181 -586.596 GPRESSURE: 563000 47.585 -204.745 -15.9404 -28.6233 -111.77 88.1056 -228.764 -124.207 -540.873 PRESSAVG: 563000 -4.00956 -53.3049 -74.852 -53.305 14.4484 -7.71338 -74.852 -7.71343 5.6943 GPRESSAVG: 563000 -3.76577 -54.0164 -76.5857 -55.2613 13.5539 -6.4344 -76.2386 -8.33671 5.9123 TIMING: 563000 CPU: 1772.42, 0.00312026/step Wall: 1772.42, 0.00312026/step, 3.84572 hours remaining, 232.648438 MB of memory in use. ENERGY: 563000 3979.1206 20432.2056 14490.2512 243.0277 -202992.2539 2320.6449 0.0000 0.0000 51818.3902 -109708.6137 297.8010 -161527.0039 -109350.1529 299.0251 -227.1109 -201.6860 760648.4651 5.3777 5.2335 PRESSURE: 563200 -272.222 137.809 56.1265 137.81 202.316 64.4133 56.1261 64.4142 -68.7589 GPRESSURE: 563200 -84.0517 66.8768 18.0462 106.233 98.1511 94.445 128.476 71.038 -55.2805 PRESSAVG: 563200 -35.1196 -89.905 -52.8764 -89.905 2.84118 10.222 -52.8763 10.2221 2.09329 GPRESSAVG: 563200 -34.4884 -90.6018 -49.7198 -88.7299 1.95389 7.62516 -51.4508 12.7978 2.70727 TIMING: 563200 CPU: 1773.05, 0.00312388/step Wall: 1773.05, 0.00312388/step, 3.85 hours remaining, 232.648438 MB of memory in use. ENERGY: 563200 3929.6285 20338.4676 14422.2496 248.1024 -203512.5817 2642.7965 0.0000 0.0000 52126.3417 -109804.9953 299.5708 -161931.3370 -109439.7574 298.4708 -46.2215 -13.7270 760525.7731 -10.0617 -9.9424 PRESSURE: 563400 222.54 -243.899 164.178 -243.9 -57.1523 141.283 164.178 141.282 -4.81785 GPRESSURE: 563400 194.843 -139.375 114.174 -180.278 -8.63177 131.126 28.8908 124.947 37.633 PRESSAVG: 563400 11.8399 -111.528 -7.97757 -111.528 -28.138 11.6113 -7.97754 11.6113 8.84532 GPRESSAVG: 563400 11.4512 -109.997 -8.74648 -110.876 -27.6748 12.3836 -9.88858 8.984 8.38418 TIMING: 563400 CPU: 1773.68, 0.0031388/step Wall: 1773.68, 0.0031388/step, 3.86822 hours remaining, 232.648438 MB of memory in use. ENERGY: 563400 3972.5342 20416.6893 14390.2301 245.4010 -203635.2572 2731.1658 0.0000 0.0000 52144.2419 -109734.9950 299.6737 -161879.2369 -109374.8604 299.0910 53.5234 74.6147 760385.3488 -2.4843 -2.6131 PRESSURE: 563600 -264.363 -12.5091 -86.9444 -12.5095 113.957 -65.8309 -86.9449 -65.83 166.208 GPRESSURE: 563600 -327.456 -46.6678 -132.521 15.8533 205.699 -71.6826 -89.5637 -73.5232 225.827 PRESSAVG: 563600 -6.96985 -12.0491 -27.397 -12.0491 -14.1139 -47.0161 -27.397 -47.0161 -14.2296 GPRESSAVG: 563600 -7.28446 -15.0735 -28.3253 -10.7589 -13.3866 -46.1594 -28.15 -46.8905 -14.6466 TIMING: 563600 CPU: 1774.3, 0.00314079/step Wall: 1774.3, 0.00314079/step, 3.8705 hours remaining, 232.648438 MB of memory in use. ENERGY: 563600 3960.2168 20616.8140 14457.4398 270.0684 -203360.2414 2542.8166 0.0000 0.0000 51812.0040 -109700.8818 297.7643 -161512.8857 -109348.3921 299.0553 5.2676 34.6902 758249.6580 -11.7711 -11.7725 PRESSURE: 563800 -68.9089 61.0378 47.2074 61.0377 54.9892 211.186 47.2076 211.186 298.472 GPRESSURE: 563800 -18.5321 142.553 80.3645 82.1904 20.9158 235.144 49.3092 99.7631 380.948 PRESSAVG: 563800 -50.3111 -18.0939 -34.7289 -18.0939 22.4543 -0.330219 -34.7289 -0.330305 -0.67546 GPRESSAVG: 563800 -49.9065 -15.0695 -33.3301 -19.3578 21.8962 0.493597 -33.7614 -1.44038 -0.52409 TIMING: 563800 CPU: 1774.93, 0.00313021/step Wall: 1774.93, 0.00313021/step, 3.85728 hours remaining, 232.648438 MB of memory in use. ENERGY: 563800 3924.2048 20470.2011 14439.9241 261.4752 -203325.0637 2602.9272 0.0000 0.0000 52029.2084 -109597.1229 299.0126 -161626.3314 -109230.9667 298.8651 94.8508 127.7772 759252.2376 -9.5108 -9.5114 PRESSURE: 564000 -264.199 -100.372 137.697 -100.372 -148.086 105.485 137.697 105.485 284.002 GPRESSURE: 564000 -296.09 -196.667 188.902 -26.2054 -99.172 125.143 267.738 73.0618 315.688 PRESSAVG: 564000 53.6562 -27.0652 22.5955 -27.0651 -54.7537 3.09299 22.5955 3.09295 17.6684 GPRESSAVG: 564000 53.9085 -28.3344 22.5227 -26.8326 -55.1919 -0.237085 22.8472 5.33597 17.8648 TIMING: 564000 CPU: 1775.56, 0.00315194/step Wall: 1775.56, 0.00315194/step, 3.88389 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 564000 4078.7722 20467.5964 14371.9396 252.4875 -203029.0800 2417.0639 0.0000 0.0000 51944.1870 -109497.0335 298.5240 -161441.2205 -109142.0662 298.9861 -42.7610 -26.5249 760665.5168 5.5236 5.5271 PRESSURE: 564200 74.1448 21.2974 8.59744 21.2969 -310.34 138.314 8.59733 138.315 6.99191 GPRESSURE: 564200 9.90475 -56.5456 76.0902 -50.7218 -140.288 106.297 -173.938 174.999 -2.78444 PRESSAVG: 564200 10.9551 3.47456 1.35872 3.47454 14.0731 14.4337 1.35867 14.4338 18.8123 GPRESSAVG: 564200 9.80861 2.69321 1.20693 4.03679 15.6073 17.4 0.976852 14.5775 18.4442 TIMING: 564200 CPU: 1776.19, 0.00315908/step Wall: 1776.19, 0.00315908/step, 3.89251 hours remaining, 232.648438 MB of memory in use. ENERGY: 564200 4004.5818 20329.3452 14435.8094 254.2706 -203046.0002 2475.2484 0.0000 0.0000 52112.5136 -109434.2313 299.4913 -161546.7449 -109073.2636 299.7196 -76.4011 -44.3894 760348.0166 14.6135 14.6200 LDB: ============= START OF LOAD BALANCING ============== 1788.59 LDB: ============== END OF LOAD BALANCING =============== 1788.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1788.59 LDB: ============= START OF LOAD BALANCING ============== 1788.91 LDB: Largest compute 7068 load 0.032165 is 16.4% of average load 0.195795 LDB: Average compute 0.004379 is 2.2% of average load 0.195795 LDB: TIME 1788.91 LOAD: AVG 0.195795 MAX 0.215867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.418 MB LDB: TIME 1788.91 LOAD: AVG 0.195795 MAX 0.215867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.531 MB LDB: TIME 1788.91 LOAD: AVG 0.195795 MAX 0.215867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.531 MB LDB: ============== END OF LOAD BALANCING =============== 1788.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1788.92 PRESSURE: 564400 -62.0904 -90.7737 -110.535 -90.7725 186.106 -172.776 -110.535 -172.775 -409.086 GPRESSURE: 564400 -125.53 -17.3214 -31.6363 -178.676 252.91 -206.795 -126.589 -178.463 -313.411 PRESSAVG: 564400 -17.6753 0.543237 14.0159 0.543263 7.03867 -0.100748 14.0159 -0.100689 2.98508 GPRESSAVG: 564400 -18.8462 2.78831 14.5247 -1.77751 7.33239 -1.58316 12.8909 -1.03788 3.31599 TIMING: 564400 CPU: 1776.84, 0.00322194/step Wall: 1776.84, 0.00322194/step, 3.96979 hours remaining, 233.988281 MB of memory in use. ENERGY: 564400 4005.1500 20675.7642 14416.8967 249.5345 -203356.5530 2662.7675 0.0000 0.0000 51859.8447 -109486.5954 298.0392 -161346.4402 -109131.0664 299.8421 -95.0236 -62.0102 762264.1091 -2.5505 -2.7326 PRESSURE: 564600 20.6024 39.7961 -81.0615 39.7961 208.933 127.874 -81.0604 127.875 157.483 GPRESSURE: 564600 117.065 6.93901 -34.6764 61.5801 265.995 164.829 2.12184 137.565 106.731 PRESSAVG: 564600 -27.6498 -19.4936 -10.8348 -19.4936 47.6969 -17.7064 -10.8348 -17.7063 -22.3393 GPRESSAVG: 564600 -26.8322 -20.1202 -13.3477 -18.1104 46.8937 -16.9248 -8.08621 -17.2798 -21.4745 TIMING: 564600 CPU: 1777.47, 0.00315274/step Wall: 1777.47, 0.00315274/step, 3.88435 hours remaining, 234.132812 MB of memory in use. ENERGY: 564600 3868.4427 20624.5022 14444.7519 229.7743 -203464.2950 2636.0197 0.0000 0.0000 52367.8293 -109292.9748 300.9586 -161660.8041 -108935.2672 299.3239 129.0062 163.2635 760465.0138 -0.7641 -0.4710 PRESSURE: 564800 -57.9969 -27.6584 -84.1107 -27.6573 122.426 57.7263 -84.1107 57.7268 124.386 GPRESSURE: 564800 -52.0466 -30.5818 -37.9674 77.0817 269.947 36.7918 -66.595 53.9397 57.5015 PRESSAVG: 564800 -40.8193 -20.4068 -7.77785 -20.4069 65.5593 6.99697 -7.7779 6.99696 13.6185 GPRESSAVG: 564800 -39.1434 -20.9814 -8.27603 -19.7532 64.4872 6.93351 -9.36301 9.50725 12.8688 TIMING: 564800 CPU: 1778.1, 0.00316482/step Wall: 1778.1, 0.00316482/step, 3.89905 hours remaining, 234.132812 MB of memory in use. ENERGY: 564800 3968.0278 20514.7054 14446.8422 255.5744 -203491.4247 2786.8170 0.0000 0.0000 52141.8889 -109377.5689 299.6602 -161519.4578 -109021.4865 300.0302 62.9381 91.8008 760871.4804 12.7861 12.7375 PRESSURE: 565000 120.224 -11.1706 70.1703 -11.1716 -333.599 5.66821 70.1705 5.66981 -514.793 GPRESSURE: 565000 30.6366 -30.7838 159.739 -108.012 -266.599 -11.7421 103.56 1.59683 -413.267 PRESSAVG: 565000 -39.7445 -15.0457 50.4786 -15.0458 13.4243 22.365 50.4786 22.365 22.7293 GPRESSAVG: 565000 -41.2088 -15.1573 51.5095 -16.0543 13.7121 22.1026 50.9261 16.7147 23.1055 TIMING: 565000 CPU: 1778.73, 0.00314766/step Wall: 1778.73, 0.00314766/step, 3.87774 hours remaining, 234.132812 MB of memory in use. ENERGY: 565000 4030.2320 20592.1574 14426.5557 235.1358 -202689.8851 2105.7339 0.0000 0.0000 51988.5808 -109311.4895 298.7791 -161300.0703 -108952.0190 299.5686 -242.7229 -216.4097 761474.4951 -1.1970 -1.4638 PRESSURE: 565200 -308.816 -110.097 134.578 -110.096 165.742 -124.822 134.578 -124.822 -6.38452 GPRESSURE: 565200 -240.976 -3.93379 194.593 -53.8514 213.605 -182.079 72.4352 89.835 -25.2464 PRESSAVG: 565200 -19.9545 -38.9327 -2.3583 -38.9327 5.50163 9.58986 -2.35831 9.58984 24.4631 GPRESSAVG: 565200 -18.7154 -39.1282 0.461364 -37.5498 4.92093 9.17437 -3.2842 10.525 23.9505 TIMING: 565200 CPU: 1779.36, 0.00314954/step Wall: 1779.36, 0.00314954/step, 3.87989 hours remaining, 234.132812 MB of memory in use. ENERGY: 565200 3997.1770 20576.4149 14424.0233 256.6491 -203299.1495 2563.2476 0.0000 0.0000 52233.7967 -109247.8409 300.1883 -161481.6376 -108888.7167 299.3838 -49.8194 -17.5393 761149.1278 3.3368 3.3854 PRESSURE: 565400 211.16 95.8311 1.3993 95.8303 2.59012 71.6132 1.39845 71.6124 515.728 GPRESSURE: 565400 229.176 79.7789 -108.736 151.355 81.2776 70.3888 -37.3635 -8.60664 516.466 PRESSAVG: 565400 4.67996 8.80755 23.406 8.8075 1.67956 -24.3168 23.4059 -24.3168 -1.33762 GPRESSAVG: 565400 4.02568 9.56587 21.5599 7.32334 2.4048 -24.0114 23.5199 -23.4987 -1.14683 TIMING: 565400 CPU: 1779.99, 0.00313051/step Wall: 1779.99, 0.00313051/step, 3.85627 hours remaining, 234.335938 MB of memory in use. ENERGY: 565400 3895.6208 20366.6514 14382.6244 231.2191 -203191.6782 2677.7042 0.0000 0.0000 52346.3613 -109291.4969 300.8353 -161637.8582 -108924.0359 299.9628 243.1594 275.6399 759642.0571 1.6740 1.7612 PRESSURE: 565600 -429.185 351.89 -25.0627 351.889 310.881 -92.7855 -25.0641 -92.7851 -549.515 GPRESSURE: 565600 -325.762 339.128 11.3337 169.449 248.694 -15.1926 -41.0546 -56.4743 -526.43 PRESSAVG: 565600 -12.8807 4.25905 9.6862 4.25901 55.0041 -60.9732 9.68617 -60.9732 1.28965 GPRESSAVG: 565600 -11.6952 3.79781 10.2658 3.01473 55.3287 -60.4135 8.80139 -62.1022 -0.130414 TIMING: 565600 CPU: 1780.61, 0.0031358/step Wall: 1780.61, 0.0031358/step, 3.86261 hours remaining, 234.335938 MB of memory in use. ENERGY: 565600 4027.8074 20510.8601 14435.9989 244.8830 -202903.8088 2175.0337 0.0000 0.0000 52111.1888 -109398.0369 299.4837 -161509.2257 -109033.6800 299.3425 -222.6062 -201.1658 760565.3908 14.4710 14.5010 PRESSURE: 565800 -226.397 248.403 -195.626 248.404 -282.555 7.76237 -195.626 7.76207 -80.5399 GPRESSURE: 565800 -198.087 267.163 -249.807 154.582 -165.612 0.0938101 -231.028 -13.6252 -132.535 PRESSAVG: 565800 -81.4335 -7.66468 13.4734 -7.66471 121.289 -17.4483 13.4734 -17.4483 21.3137 GPRESSAVG: 565800 -82.1585 -8.88258 11.604 -5.88228 120.117 -18.2338 15.0016 -15.7727 22.6585 TIMING: 565800 CPU: 1781.24, 0.00314884/step Wall: 1781.24, 0.00314884/step, 3.87849 hours remaining, 234.335938 MB of memory in use. ENERGY: 565800 3981.0180 20632.5658 14436.5435 252.5452 -203364.3615 2461.6769 0.0000 0.0000 52331.8368 -109268.1753 300.7518 -161600.0121 -108898.7400 299.7080 -196.4973 -165.4112 760244.8145 20.3899 20.2056 PRESSURE: 566000 -41.1707 -348.551 101.847 -348.552 151.862 90.3906 101.847 90.3909 -271.595 GPRESSURE: 566000 -5.73335 -343.621 157.94 -156.673 167.107 98.904 126.002 3.51606 -227.428 PRESSAVG: 566000 -28.3716 -12.089 46.2407 -12.089 49.0139 -8.02846 46.2406 -8.02849 17.5314 GPRESSAVG: 566000 -30.0352 -12.3573 46.8137 -11.8538 50.591 -8.43459 47.7656 -7.82752 18.0885 TIMING: 566000 CPU: 1781.87, 0.00313478/step Wall: 1781.87, 0.00313478/step, 3.861 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 566000 4021.5575 20571.4985 14501.0111 238.9947 -203654.9151 2618.2918 0.0000 0.0000 52296.8233 -109406.7384 300.5506 -161703.5617 -109051.5954 299.9295 -53.6346 -22.0181 758636.5222 12.7246 12.8814 PRESSURE: 566200 -496.766 49.6227 113.285 49.6223 -92.4273 -55.2237 113.284 -55.2245 112.165 GPRESSURE: 566200 -293.971 49.5975 150.939 -20.3183 -160.109 -57.4857 -24.3673 34.4719 66.8621 PRESSAVG: 566200 -7.37615 0.128857 45.0593 0.128862 35.8379 57.1456 45.0593 57.1456 -17.3214 GPRESSAVG: 566200 -5.83568 1.77294 45.8866 -0.148997 35.2723 57.219 43.5504 56.6029 -18.2597 TIMING: 566200 CPU: 1782.5, 0.0031438/step Wall: 1782.5, 0.0031438/step, 3.87194 hours remaining, 234.335938 MB of memory in use. ENERGY: 566200 4015.5503 20549.6038 14463.4256 262.2064 -203133.4133 2397.5476 0.0000 0.0000 52055.2354 -109389.8442 299.1622 -161445.0796 -109023.4023 299.7680 -159.0094 -129.0726 759942.8171 3.7135 3.7256 PRESSURE: 566400 99.0548 -39.376 -94.9616 -39.3755 -89.2371 -21.6479 -94.9623 -21.6483 -98.3836 GPRESSURE: 566400 121.669 -15.5572 -111.433 -110.813 -122.629 -14.3427 49.913 -83.4159 -17.8204 PRESSAVG: 566400 83.5072 -16.2298 -4.02198 -16.2299 -60.1523 -17.0996 -4.02195 -17.0996 24.4514 GPRESSAVG: 566400 82.8239 -17.2112 -4.73225 -16.9197 -60.1355 -15.1765 -6.11646 -17.5614 25.4501 TIMING: 566400 CPU: 1783.13, 0.00313676/step Wall: 1783.13, 0.00313676/step, 3.8631 hours remaining, 234.335938 MB of memory in use. ENERGY: 566400 4077.3545 20642.7543 14406.0014 233.0069 -203405.9357 2792.3467 0.0000 0.0000 51889.3611 -109365.1108 298.2089 -161254.4719 -109004.2969 299.7985 -29.5220 -6.2602 759862.5816 15.9355 16.0462 PRESSURE: 566600 539.793 -9.39539 172.713 -9.39461 -200.296 128.712 172.713 128.712 246.224 GPRESSURE: 566600 451.345 -17.8542 150.092 53.1111 -38.308 24.3671 271.751 128.665 223.823 PRESSAVG: 566600 61.9174 7.31423 -28.9918 7.31422 -41.8159 29.5173 -28.9918 29.5173 -11.7586 GPRESSAVG: 566600 62.4119 6.5819 -29.1317 8.69988 -42.0465 27.7284 -23.4386 29.6871 -11.9048 TIMING: 566600 CPU: 1783.75, 0.00312892/step Wall: 1783.75, 0.00312892/step, 3.85327 hours remaining, 234.335938 MB of memory in use. ENERGY: 566600 3972.0049 20695.2552 14498.4174 256.3017 -203609.4641 2589.7979 0.0000 0.0000 52143.2306 -109454.4565 299.6679 -161597.6871 -109084.5524 299.5073 195.2403 212.2867 759558.6703 2.7810 2.8202 PRESSURE: 566800 265.366 43.8072 -5.45143 43.8066 -117.727 26.2398 -5.45243 26.2397 25.0606 GPRESSURE: 566800 197.427 59.6829 141.438 21.4156 62.9167 39.3627 -20.8425 21.6985 -7.84989 PRESSAVG: 566800 9.0659 -61.8186 0.0157075 -61.8187 25.5081 -8.96024 0.0156902 -8.96022 -0.902827 GPRESSAVG: 566800 7.62522 -61.6503 -0.0953922 -62.309 26.7943 -8.04168 -2.57906 -8.56058 -1.22568 TIMING: 566800 CPU: 1784.38, 0.00312459/step Wall: 1784.38, 0.00312459/step, 3.84776 hours remaining, 234.335938 MB of memory in use. ENERGY: 566800 4017.9444 20607.3192 14469.5116 247.5635 -203232.4075 2374.7486 0.0000 0.0000 52016.0139 -109499.3064 298.9367 -161515.3203 -109140.9158 299.9043 57.5664 84.1645 760994.6108 11.2237 11.0646 PRESSURE: 567000 33.5651 38.8486 -120.562 38.8484 -37.0897 -18.1792 -120.562 -18.1782 197.499 GPRESSURE: 567000 68.7106 41.2892 -157.365 -7.18135 -15.0433 -5.77186 -128.717 -86.4533 228.82 PRESSAVG: 567000 -11.3205 48.4683 12.7878 48.4683 -2.03992 6.58693 12.7878 6.58679 16.5181 GPRESSAVG: 567000 -10.5006 47.1678 13.0549 49.1907 -3.13127 7.08858 10.8837 6.52676 16.4269 TIMING: 567000 CPU: 1785, 0.00312278/step Wall: 1785, 0.00312278/step, 3.84536 hours remaining, 234.335938 MB of memory in use. ENERGY: 567000 3945.2363 20371.5741 14558.5159 258.9098 -203439.5825 2467.8250 0.0000 0.0000 52133.5930 -109703.9284 299.6125 -161837.5214 -109340.1549 299.7198 64.6580 94.1623 760020.8322 1.0526 0.9317 PRESSURE: 567200 -198.822 -72.9947 -279.222 -72.9955 111.532 34.0234 -279.222 34.0235 18.5506 GPRESSURE: 567200 -169.436 -58.5346 -203.421 -39.2324 117.014 80.4693 -269.067 38.5702 60.0934 PRESSAVG: 567200 -44.3474 14.2045 -10.8034 14.2045 25.414 -32.4122 -10.8035 -32.4123 -3.97229 GPRESSAVG: 567200 -44.14 16.2592 -10.3672 14.6112 24.6276 -33.4009 -10.7571 -32.3572 -3.19919 TIMING: 567200 CPU: 1785.63, 0.00313457/step Wall: 1785.63, 0.00313457/step, 3.8597 hours remaining, 234.335938 MB of memory in use. ENERGY: 567200 4072.5630 20321.9058 14445.4958 237.3119 -203241.7294 2357.5617 0.0000 0.0000 51872.0433 -109934.8479 298.1093 -161806.8912 -109569.7354 298.7635 -22.9130 2.5572 760119.9730 -7.6352 -7.5705 PRESSURE: 567400 -193.171 198.899 218.79 198.898 340.369 122.287 218.79 122.288 156.628 GPRESSURE: 567400 -120.718 99.2082 244.264 242.24 268.353 148.771 270.873 26.7505 237.85 PRESSAVG: 567400 -18.5089 9.35358 23.5389 9.3536 72.3885 2.47768 23.539 2.47765 20.2152 GPRESSAVG: 567400 -18.7561 8.09719 24.3174 9.75609 73.4893 3.2106 26.732 1.30281 19.4654 TIMING: 567400 CPU: 1786.25, 0.00313206/step Wall: 1786.25, 0.00313206/step, 3.85644 hours remaining, 234.335938 MB of memory in use. ENERGY: 567400 4011.0116 20379.2058 14347.0094 233.5021 -203512.3476 2580.5295 0.0000 0.0000 51953.7898 -110007.2993 298.5791 -161961.0891 -109646.4803 297.9647 101.2749 128.4951 760668.5714 24.6983 24.7329 PRESSURE: 567600 -244.897 89.6003 -91.3986 89.6003 448.431 74.681 -91.3985 74.6809 145.493 GPRESSURE: 567600 -178.683 141.764 -120.95 -26.0895 474.171 123.827 -271.565 47.1774 117.525 PRESSAVG: 567600 -42.1933 -26.9043 3.18119 -26.9043 59.5932 -15.7672 3.18119 -15.7671 -0.322406 GPRESSAVG: 567600 -41.673 -26.4839 2.53476 -27.9286 58.8444 -16.4238 0.576541 -14.5678 -0.64541 TIMING: 567600 CPU: 1786.88, 0.00313062/step Wall: 1786.88, 0.00313062/step, 3.85449 hours remaining, 234.335938 MB of memory in use. ENERGY: 567600 3897.3041 20513.8604 14370.6607 229.6558 -203558.9238 2773.5351 0.0000 0.0000 51778.3632 -109995.5445 297.5710 -161773.9077 -109635.9875 298.4798 116.3424 137.6712 759542.5207 5.6925 5.5087 PRESSURE: 567800 -497.371 56.9811 -81.5192 56.9812 -332.244 -151.684 -81.5187 -151.683 -349.226 GPRESSURE: 567800 -473.784 92.522 -67.5635 45.8409 -291.675 -173.428 -144.966 -138.155 -334.652 PRESSAVG: 567800 -16.1173 -18.2601 10.0623 -18.2602 -5.73091 10.8442 10.0623 10.8444 -5.41328 GPRESSAVG: 567800 -16.1531 -17.8646 8.92667 -17.9464 -5.8392 8.8647 10.5113 12.6328 -5.27913 TIMING: 567800 CPU: 1787.5, 0.00311737/step Wall: 1787.5, 0.00311737/step, 3.838 hours remaining, 234.335938 MB of memory in use. ENERGY: 567800 3944.4739 20555.2822 14441.2393 251.0638 -203577.0458 2433.7114 0.0000 0.0000 51741.3643 -110209.9109 297.3583 -161951.2752 -109845.6626 298.0414 -392.9470 -366.7035 761243.9755 -9.0872 -9.0905 PRESSURE: 568000 491.386 -204.054 -224.196 -204.054 219.174 -282.494 -224.196 -282.495 168.905 GPRESSURE: 568000 476.507 -127.54 -191.707 -310.905 316.033 -256.326 -143.687 -83.9435 168.947 PRESSAVG: 568000 15.339 -37.8742 -3.46282 -37.8741 14.8794 20.599 -3.46282 20.599 14.6762 GPRESSAVG: 568000 14.9896 -38.7914 -3.06937 -38.1799 15.6878 21.5346 -1.3219 19.7515 14.7752 TIMING: 568000 CPU: 1788.13, 0.0031247/step Wall: 1788.13, 0.0031247/step, 3.84686 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 568000 4025.2545 20409.3801 14425.4885 233.2431 -204226.8653 2933.8166 0.0000 0.0000 52246.1254 -109953.5572 300.2592 -162199.6826 -109594.8522 298.6813 293.1551 320.4955 758653.0086 14.9649 15.1509 PRESSURE: 568200 -276.954 142.532 249.707 142.531 -153.103 337.459 249.707 337.46 234.101 GPRESSURE: 568200 -250.164 31.4519 194.92 194.101 -131.532 317.473 293.666 314.272 278.925 PRESSAVG: 568200 -55.5167 -47.9948 -12.1365 -47.9948 22.1769 5.47281 -12.1365 5.47289 -7.02858 GPRESSAVG: 568200 -54.858 -48.6351 -10.1848 -46.3178 21.5781 6.32355 -16.1061 7.02048 -7.91838 TIMING: 568200 CPU: 1788.75, 0.00313167/step Wall: 1788.75, 0.00313167/step, 3.85526 hours remaining, 234.335938 MB of memory in use. ENERGY: 568200 3964.9419 20464.7366 14463.7518 209.2889 -203866.5713 2569.7304 0.0000 0.0000 52156.2208 -110037.9008 299.7425 -162194.1216 -109667.7210 298.3824 -65.3186 -34.2569 758701.4268 -13.4561 -13.7327 LDB: ============= START OF LOAD BALANCING ============== 1801.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1801.15 LDB: =============== DONE WITH MIGRATION ================ 1801.15 LDB: ============= START OF LOAD BALANCING ============== 1801.46 LDB: Largest compute 7068 load 0.031572 is 16.1% of average load 0.195764 LDB: Average compute 0.004358 is 2.2% of average load 0.195764 LDB: TIME 1801.47 LOAD: AVG 0.195764 MAX 0.2146 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.418 MB LDB: TIME 1801.47 LOAD: AVG 0.195764 MAX 0.2146 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.418 MB LDB: TIME 1801.47 LOAD: AVG 0.195764 MAX 0.2146 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.418 MB LDB: ============== END OF LOAD BALANCING =============== 1801.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1801.48 PRESSURE: 568400 -206.488 -161.552 -156.027 -161.553 -444.967 -42.6695 -156.028 -42.6691 16.7242 GPRESSURE: 568400 -254.38 -176.041 -279.25 -271.633 -270.953 32.7717 -221.71 -167.023 -39.7104 PRESSAVG: 568400 -12.5116 -41.7758 -14.0949 -41.7759 47.6688 71.7201 -14.0949 71.72 0.868897 GPRESSAVG: 568400 -11.8105 -42.8002 -15.6613 -42.5391 46.9517 71.2905 -11.821 68.6708 1.16482 TIMING: 568400 CPU: 1789.39, 0.00319817/step Wall: 1789.39, 0.00319817/step, 3.93695 hours remaining, 233.125000 MB of memory in use. ENERGY: 568400 4000.3757 20669.8591 14481.7936 248.5514 -203609.3846 2371.6437 0.0000 0.0000 51965.2012 -109871.9598 298.6447 -161837.1611 -109517.1432 298.8562 -211.5769 -188.3478 759217.3242 12.0087 12.1020 PRESSURE: 568600 17.8715 -54.2635 117.618 -54.2633 72.7442 -10.0487 117.619 -10.0488 499.634 GPRESSURE: 568600 -30.9558 -112.4 66.3304 47.189 124.407 6.25947 146.649 -17.0049 572.651 PRESSAVG: 568600 5.19588 -25.5579 -56.7564 -25.5579 38.4683 10.5495 -56.7564 10.5495 1.70652 GPRESSAVG: 568600 3.54367 -23.404 -58.2083 -24.8456 38.6434 11.6075 -56.6986 11.0599 3.00974 TIMING: 568600 CPU: 1790.02, 0.0031376/step Wall: 1790.02, 0.0031376/step, 3.86221 hours remaining, 233.160156 MB of memory in use. ENERGY: 568600 3934.0567 20472.9936 14408.2422 248.9157 -203865.1762 2808.2804 0.0000 0.0000 52089.7432 -109902.9444 299.3605 -161992.6876 -109535.2694 298.8726 196.7500 222.0342 759139.6660 15.1236 15.0656 PRESSURE: 568800 229.393 74.0224 -79.4977 74.0212 37.0804 -184.759 -79.4972 -184.759 254.556 GPRESSURE: 568800 256.206 27.9761 -81.5206 110.106 100.31 -121.914 -77.2484 -186.662 253.933 PRESSAVG: 568800 -23.9844 -45.8867 -60.194 -45.8867 63.3778 -28.7698 -60.1939 -28.7698 -27.9323 GPRESSAVG: 568800 -23.2916 -45.4636 -58.0406 -46.0926 64.4053 -27.7848 -60.4463 -29.2994 -29.6606 TIMING: 568800 CPU: 1790.65, 0.00313118/step Wall: 1790.65, 0.00313118/step, 3.85414 hours remaining, 233.332031 MB of memory in use. ENERGY: 568800 3967.7971 20495.6637 14383.3845 241.1277 -203810.0007 2662.9494 0.0000 0.0000 52217.8791 -109841.1993 300.0969 -162059.0784 -109481.6138 299.0540 173.6765 203.4831 758278.3638 3.8204 3.8177 PRESSURE: 569000 41.0879 -24.176 -62.9032 -24.1751 117.682 -143.582 -62.9024 -143.581 110.979 GPRESSURE: 569000 71.0216 -33.4952 -116.119 27.0652 226.337 -149.557 -96.8724 -83.5683 79.3854 PRESSAVG: 569000 -45.5936 -19.2197 -17.5639 -19.2197 0.113898 -2.04465 -17.5639 -2.04466 5.8352 GPRESSAVG: 569000 -47.1541 -17.2435 -19.0302 -21.8153 0.337571 -2.85221 -16.6436 -0.887796 7.89062 TIMING: 569000 CPU: 1791.27, 0.00312797/step Wall: 1791.27, 0.00312797/step, 3.85001 hours remaining, 233.363281 MB of memory in use. ENERGY: 569000 3961.7715 20523.0429 14505.3354 230.6941 -204344.2240 3024.6616 0.0000 0.0000 52102.9330 -109995.7854 299.4363 -162098.7184 -109633.0844 298.8774 89.9165 125.5813 758695.0009 -13.2148 -12.9753 PRESSURE: 569200 -8.37551 -220.712 -47.5443 -220.712 174.036 129.673 -47.5433 129.673 83.1384 GPRESSURE: 569200 68.1745 -266.147 -18.4681 -185.412 205.448 165.196 26.4395 99.3562 50.6029 PRESSAVG: 569200 -72.1858 -41.6287 -10.2373 -41.6286 93.3583 -14.915 -10.2373 -14.915 14.3646 GPRESSAVG: 569200 -71.7951 -43.4556 -9.85532 -39.8009 92.9854 -14.5136 -10.2344 -15.9234 14.7041 TIMING: 569200 CPU: 1791.9, 0.00313455/step Wall: 1791.9, 0.00313455/step, 3.85794 hours remaining, 233.363281 MB of memory in use. ENERGY: 569200 3959.4116 20436.5108 14428.4024 228.0198 -203642.0873 2754.5397 0.0000 0.0000 52011.9073 -109823.2958 298.9131 -161835.2031 -109465.4401 298.5867 82.9330 108.0751 759932.7285 11.8457 11.9648 PRESSURE: 569400 -24.4542 43.9189 151.274 43.9191 219.603 -253.964 151.274 -253.962 -111.422 GPRESSURE: 569400 -75.6119 25.7748 160.279 105.638 280.003 -232.141 268.79 -238.744 -23.2722 PRESSAVG: 569400 -26.538 -67.5764 40.2341 -67.5765 46.1747 -11.7477 40.2341 -11.7477 -15.6449 GPRESSAVG: 569400 -25.8926 -67.8254 41.296 -68.8475 46.997 -11.9196 39.8203 -12.1568 -17.1774 TIMING: 569400 CPU: 1792.53, 0.00313049/step Wall: 1792.53, 0.00313049/step, 3.85276 hours remaining, 233.363281 MB of memory in use. ENERGY: 569400 4050.4810 20577.3587 14524.4572 242.1978 -204191.2192 2658.4163 0.0000 0.0000 52171.2369 -109967.0714 299.8288 -162138.3083 -109612.6538 298.9623 27.9090 60.3730 757272.5092 1.3306 1.3090 PRESSURE: 569600 -61.4563 -158.066 -87.8219 -158.065 14.6722 89.746 -87.8209 89.7452 205.842 GPRESSURE: 569600 -63.3904 -103.393 -48.0737 -137.21 22.2102 116.223 -149.579 146.045 252.895 PRESSAVG: 569600 -52.4686 -93.7039 -37.8821 -93.7039 48.0172 24.6973 -37.882 24.6973 -18.3011 GPRESSAVG: 569600 -52.1186 -93.6561 -38.0918 -93.1798 46.2878 22.7897 -36.6505 25.8507 -17.1779 TIMING: 569600 CPU: 1793.15, 0.00312402/step Wall: 1793.15, 0.00312402/step, 3.84463 hours remaining, 233.363281 MB of memory in use. ENERGY: 569600 4043.5852 20476.8701 14474.4718 243.9461 -203620.5550 2312.9666 0.0000 0.0000 52044.2769 -110024.4383 299.0992 -162068.7152 -109659.2407 298.4809 53.0192 70.5716 758703.8924 -7.5842 -7.6696 PRESSURE: 569800 -27.4389 -51.4275 -75.0847 -51.4278 7.47885 59.9442 -75.0847 59.9443 -301.886 GPRESSURE: 569800 29.5043 -183.134 -14.5733 -112.405 42.4077 -4.0137 -79.2381 -46.717 -299.957 PRESSAVG: 569800 -40.6489 -56.5216 -5.26834 -56.5216 72.425 13.0884 -5.26835 13.0883 -17.4013 GPRESSAVG: 569800 -39.8892 -55.7429 -4.48553 -56.0434 72.4629 13.9472 -7.56185 13.1382 -18.2322 TIMING: 569800 CPU: 1793.77, 0.00311703/step Wall: 1793.77, 0.00311703/step, 3.83586 hours remaining, 233.363281 MB of memory in use. ENERGY: 569800 4039.9479 20469.7777 14487.1463 247.9347 -204021.1352 2662.8476 0.0000 0.0000 51919.4286 -110194.0525 298.3817 -162113.4811 -109839.4559 298.2997 -107.2820 -76.0151 758301.1499 4.7916 4.7805 PRESSURE: 570000 86.9199 -236.573 28.2697 -236.572 46.292 71.5036 28.2708 71.5044 -31.902 GPRESSURE: 570000 130.287 -323.111 51.1864 -237.499 51.3774 87.4612 76.395 96.1818 24.3451 PRESSAVG: 570000 -40.1673 -34.9301 -8.16117 -34.93 36.5771 -3.53119 -8.1612 -3.53115 -1.66908 GPRESSAVG: 570000 -40.1448 -32.9757 -9.12113 -35.8545 36.0154 -3.63769 -6.37637 -3.34729 -1.57808 TIMING: 570000 CPU: 1794.4, 0.00312284/step Wall: 1794.4, 0.00312284/step, 3.84283 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 570000 3972.8135 20567.2126 14425.6960 239.9718 -203661.7144 2568.7763 0.0000 0.0000 51772.6674 -110114.5768 297.5382 -161887.2442 -109754.3819 298.2220 33.7700 68.6698 758121.8281 -1.7531 -1.9025 PRESSURE: 570200 -80.7871 162.402 -117.913 162.403 -234.845 40.7995 -117.913 40.7996 -40.2159 GPRESSURE: 570200 -4.2727 81.0652 -49.0999 98.335 -303.835 65.5436 -51.1739 0.94353 56.5307 PRESSAVG: 570200 -1.26263 -69.935 22.7305 -69.9351 -14.0682 -36.3533 22.7305 -36.3533 4.14609 GPRESSAVG: 570200 -2.53338 -73.3121 20.7737 -69.8022 -12.7106 -34.961 23.7783 -36.3074 3.77004 TIMING: 570200 CPU: 1795.02, 0.00312793/step Wall: 1795.02, 0.00312793/step, 3.84892 hours remaining, 233.363281 MB of memory in use. ENERGY: 570200 3983.3806 20513.8857 14435.4822 251.1440 -203861.8295 2749.0517 0.0000 0.0000 52090.7753 -109838.1099 299.3664 -161928.8852 -109481.3847 298.9778 -118.6160 -83.8591 758753.8727 -3.7282 -3.8247 PRESSURE: 570400 -448.48 -17.2641 9.85052 -17.2636 -237.114 -158.167 9.85092 -158.167 -376.228 GPRESSURE: 570400 -380.165 -116.369 -16.3616 -47.1498 -257.347 -76.6403 -73.3988 -85.4452 -325.253 PRESSAVG: 570400 -56.4234 -95.0305 1.81659 -95.0305 47.4419 21.3575 1.81658 21.3575 -4.34237 GPRESSAVG: 570400 -56.4417 -95.0258 2.66869 -95.2793 46.7936 21.5308 2.01218 20.4102 -4.06629 TIMING: 570400 CPU: 1795.65, 0.00314531/step Wall: 1795.65, 0.00314531/step, 3.87013 hours remaining, 233.363281 MB of memory in use. ENERGY: 570400 4012.2753 20466.9713 14453.7404 244.0599 -203086.7687 2163.9691 0.0000 0.0000 51760.9509 -109984.8018 297.4709 -161745.7527 -109621.4150 298.9949 -353.9409 -320.9216 760666.0485 -4.4413 -4.5715 PRESSURE: 570600 153.977 -160.616 -161.601 -160.617 92.6112 -227 -161.601 -226.999 247.052 GPRESSURE: 570600 217.327 -138.377 -210.638 -96.5685 80.2888 -229.531 -160.685 -228.257 261.017 PRESSAVG: 570600 -32.2984 -33.7022 -36.5331 -33.7023 7.87419 -48.4516 -36.5331 -48.4516 8.82992 GPRESSAVG: 570600 -32.6578 -33.5614 -37.3101 -32.5554 8.19796 -49.6819 -36.4408 -47.1025 9.17929 TIMING: 570600 CPU: 1796.28, 0.00312371/step Wall: 1796.28, 0.00312371/step, 3.84338 hours remaining, 233.363281 MB of memory in use. ENERGY: 570600 4017.1762 20552.4039 14527.6896 239.5123 -203591.6726 2513.7642 0.0000 0.0000 51809.0307 -109932.0957 297.7472 -161741.1265 -109561.9343 298.4676 164.5469 186.2111 757856.9479 -5.1981 -5.0935 PRESSURE: 570800 256.678 160.537 132.855 160.538 -297.546 -78.3236 132.856 -78.3244 140.695 GPRESSURE: 570800 291.206 147.283 169.118 -8.25593 -204.955 -75.8243 156.334 57.6197 87.8492 PRESSAVG: 570800 3.62109 -33.7888 35.3922 -33.7887 21.6678 84.2359 35.3923 84.2359 6.35948 GPRESSAVG: 570800 3.1465 -31.2418 34.9765 -33.8286 22.1054 86.2403 33.7959 83.5303 6.48071 TIMING: 570800 CPU: 1796.91, 0.00314937/step Wall: 1796.91, 0.00314937/step, 3.87477 hours remaining, 233.363281 MB of memory in use. ENERGY: 570800 4011.8608 20467.4462 14481.8725 249.1403 -203872.3203 2831.2361 0.0000 0.0000 51915.6044 -109915.1599 298.3597 -161830.7643 -109561.6108 298.1177 33.2755 58.0331 758830.2318 10.5494 10.5775 PRESSURE: 571000 265.491 -51.1793 -26.2987 -51.1799 65.7391 -153.931 -26.2994 -153.93 191.486 GPRESSURE: 571000 211.704 11.2691 -93.9914 -145.169 144.408 -127.427 -54.9947 -199.957 242.154 PRESSAVG: 571000 38.1913 1.03311 -17.4924 1.03308 -31.3262 -28.7936 -17.4924 -28.7937 -5.79466 GPRESSAVG: 571000 40.4062 0.119922 -14.6166 2.25982 -33.3723 -30.2056 -16.8849 -30.0494 -5.71407 TIMING: 571000 CPU: 1797.53, 0.00311713/step Wall: 1797.53, 0.00311713/step, 3.83493 hours remaining, 233.363281 MB of memory in use. ENERGY: 571000 3921.7922 20305.5817 14509.8405 215.4950 -203401.4327 2424.5534 0.0000 0.0000 52099.9804 -109924.1895 299.4193 -162024.1699 -109569.0863 298.5908 174.2384 199.4221 757925.1508 0.3568 0.4400 PRESSURE: 571200 -452.449 -41.0511 33.4192 -41.0506 105.445 32.6126 33.4194 32.6134 -174.727 GPRESSURE: 571200 -443.65 -83.924 -27.6679 -2.48389 153.466 91.4948 -127.738 82.4325 -156.898 PRESSAVG: 571200 6.93166 0.943947 14.0378 0.94395 8.94273 5.09365 14.0378 5.09368 -17.1967 GPRESSAVG: 571200 6.55258 -0.384262 12.1329 -1.77105 10.1437 5.18625 13.6503 6.60846 -18.2222 TIMING: 571200 CPU: 1798.16, 0.00313362/step Wall: 1798.16, 0.00313362/step, 3.85504 hours remaining, 233.363281 MB of memory in use. ENERGY: 571200 3926.6167 20635.9500 14546.1636 234.1103 -203321.2530 2574.5796 0.0000 0.0000 51751.7655 -109652.0672 297.4181 -161403.8327 -109300.0803 298.1830 -173.9100 -149.0275 760269.5449 -0.4408 -0.5086 PRESSURE: 571400 241.548 -95.6742 -59.4225 -95.6745 -59.5385 -41.2543 -59.4224 -41.2545 406.574 GPRESSURE: 571400 242.114 53.894 -48.3549 -19.9316 23.7533 -8.29591 -179.89 -3.55379 417.393 PRESSAVG: 571400 -51.0459 10.8774 12.6777 10.8773 -8.45342 46.6721 12.6776 46.6721 12.2995 GPRESSAVG: 571400 -51.1249 13.3788 12.5726 10.5914 -8.49743 46.2441 12.4825 47.754 12.3068 TIMING: 571400 CPU: 1798.78, 0.00312827/step Wall: 1798.78, 0.00312827/step, 3.8483 hours remaining, 233.363281 MB of memory in use. ENERGY: 571400 4034.1132 20401.4473 14479.0142 246.2437 -203609.5556 2453.4876 0.0000 0.0000 52312.7131 -109682.5365 300.6419 -161995.2496 -109320.1370 298.6679 196.1942 227.7534 758518.5012 -15.7333 -15.7718 PRESSURE: 571600 -128.968 95.2851 -82.4355 95.2856 -148.506 28.0883 -82.4351 28.0884 -102.361 GPRESSURE: 571600 -241.079 85.493 -160.201 34.5417 4.85667 35.9641 -28.515 -58.9119 -75.4037 PRESSAVG: 571600 -45.6778 46.0809 -28.3635 46.0809 22.1961 29.3636 -28.3634 29.3636 12.9708 GPRESSAVG: 571600 -47.8925 45.5579 -27.5988 47.3821 23.0715 29.7965 -30.8472 27.2024 13.8518 TIMING: 571600 CPU: 1799.41, 0.00313646/step Wall: 1799.41, 0.00313646/step, 3.85819 hours remaining, 233.363281 MB of memory in use. ENERGY: 571600 3970.6683 20510.0099 14514.5748 251.3855 -203152.4258 2440.9728 0.0000 0.0000 51778.1680 -109686.6465 297.5698 -161464.8145 -109330.4411 298.6963 -126.6116 -103.8753 760395.5189 -3.5036 -3.6564 PRESSURE: 571800 249.46 -192.434 -235.859 -192.434 -21.4595 -302.052 -235.859 -302.051 -144.515 GPRESSURE: 571800 344.089 -219.574 -254.733 -175.903 -61.549 -208.068 -61.6627 -338.858 -106.175 PRESSAVG: 571800 22.0992 -49.0973 4.78482 -49.0973 -26.3328 -33.6489 4.78478 -33.6488 15.2899 GPRESSAVG: 571800 22.6726 -50.9147 5.74902 -50.5642 -26.9611 -34.0623 9.11992 -34.1993 15.5879 TIMING: 571800 CPU: 1800.04, 0.00313694/step Wall: 1800.04, 0.00313694/step, 3.85861 hours remaining, 233.363281 MB of memory in use. ENERGY: 571800 4022.9426 20278.1975 14446.9561 209.6235 -203462.6630 2573.7690 0.0000 0.0000 52257.3254 -109673.8487 300.3236 -161931.1742 -109310.7544 298.5452 27.8284 58.7884 758927.7348 3.6854 3.7665 PRESSURE: 572000 -322.266 0.626527 330.505 0.625966 -196.765 -180.654 330.504 -180.654 264.052 GPRESSURE: 572000 -280.475 65.0891 269.146 5.74339 -148.652 -239.152 243.02 -190.815 266.796 PRESSAVG: 572000 35.8971 -69.8692 66.4374 -69.8692 -11.7459 9.34746 66.4374 9.34749 -5.17083 GPRESSAVG: 572000 36.4452 -68.7581 66.7376 -68.7031 -11.9568 8.85224 64.1294 9.37852 -6.03108 TIMING: 572000 CPU: 1800.67, 0.0031326/step Wall: 1800.67, 0.0031326/step, 3.8531 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 572000 4044.9796 20306.1077 14471.4064 255.6807 -203370.1068 2714.0011 0.0000 0.0000 51820.2949 -109757.6365 297.8119 -161577.9313 -109399.1378 298.6106 -84.9930 -54.1103 760931.3142 6.3268 6.1524 PRESSURE: 572200 -211.48 85.8312 143.467 85.8312 -330.535 45.4143 143.466 45.4143 -443.713 GPRESSURE: 572200 -231.506 -24.5912 224.3 184.593 -268.916 40.7577 154.819 232.584 -399.619 PRESSAVG: 572200 -0.959378 -28.0962 31.8997 -28.0961 15.4904 19.6245 31.8998 19.6245 -9.00625 GPRESSAVG: 572200 -1.33902 -27.0059 30.542 -27.6466 15.6383 17.7389 32.828 22.8992 -8.93149 TIMING: 572200 CPU: 1801.3, 0.00316252/step Wall: 1801.3, 0.00316252/step, 3.88972 hours remaining, 233.363281 MB of memory in use. ENERGY: 572200 4033.2563 20410.8807 14434.6251 242.0218 -203097.6769 2447.1615 0.0000 0.0000 52043.5194 -109486.2120 299.0948 -161529.7315 -109126.6016 298.9431 -328.5759 -300.0135 762666.5495 1.8416 1.7893 LDB: ============= START OF LOAD BALANCING ============== 1813.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1813.7 LDB: =============== DONE WITH MIGRATION ================ 1813.7 LDB: ============= START OF LOAD BALANCING ============== 1814.01 LDB: Largest compute 7025 load 0.030234 is 15.4% of average load 0.195810 LDB: Average compute 0.004353 is 2.2% of average load 0.195810 LDB: TIME 1814.01 LOAD: AVG 0.19581 MAX 0.217987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.125 MB LDB: TIME 1814.02 LOAD: AVG 0.19581 MAX 0.217987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: TIME 1814.02 LOAD: AVG 0.19581 MAX 0.217987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: ============== END OF LOAD BALANCING =============== 1814.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1814.02 PRESSURE: 572400 49.7108 176.857 -83.4421 176.858 268.172 -127.267 -83.4417 -127.268 92.2158 GPRESSURE: 572400 131.177 128.436 -111.903 150.102 304.581 -183.563 -194.737 -150.014 52.7304 PRESSAVG: 572400 -10.5539 -15.9315 10.1862 -15.9315 -37.5265 29.3205 10.1862 29.3206 25.9528 GPRESSAVG: 572400 -10.2672 -19.007 9.47667 -15.7286 -37.7267 32.1991 11.2555 27.1432 26.0584 TIMING: 572400 CPU: 1801.94, 0.00320481/step Wall: 1801.94, 0.00320481/step, 3.94156 hours remaining, 233.015625 MB of memory in use. ENERGY: 572400 3915.0421 20467.3298 14451.4423 250.4835 -203859.1080 3037.4580 0.0000 0.0000 52156.9188 -109580.4333 299.7465 -161737.3521 -109213.8990 298.8165 136.6997 162.8297 760008.1989 -7.3758 -7.3118 PRESSURE: 572600 -155.296 65.288 -235.719 65.287 120.847 -147.429 -235.719 -147.429 66.7672 GPRESSURE: 572600 -126.66 29.656 -147.005 13.7711 154.848 -181.698 -264.311 -120.403 54.474 PRESSAVG: 572600 -12.662 -51.3209 12.3263 -51.3208 13.1088 17.5081 12.3264 17.5082 -27.2018 GPRESSAVG: 572600 -12.5396 -49.0175 12.6266 -51.6383 13.1265 15.1071 10.9272 17.1596 -27.3371 TIMING: 572600 CPU: 1802.57, 0.00314045/step Wall: 1802.57, 0.00314045/step, 3.86223 hours remaining, 233.015625 MB of memory in use. ENERGY: 572600 3984.5342 20578.5287 14499.6682 257.0059 -203241.1935 2510.2253 0.0000 0.0000 52132.3915 -109278.8397 299.6056 -161411.2311 -108920.1575 299.7801 10.7727 27.5540 759791.7245 -8.9183 -8.9167 PRESSURE: 572800 56.2289 -54.9442 114.901 -54.944 -83.9298 128.865 114.9 128.864 -192.623 GPRESSURE: 572800 140.562 -8.73826 216.834 -141.646 -50.2491 140.155 62.2831 61.591 -210.095 PRESSAVG: 572800 -27.6073 -66.1225 78.7252 -66.1225 15.0178 -9.6299 78.7252 -9.62988 14.2507 GPRESSAVG: 572800 -26.3507 -67.352 79.0082 -66.3565 14.6187 -7.63257 81.4691 -11.1263 13.9021 TIMING: 572800 CPU: 1803.2, 0.00314635/step Wall: 1803.2, 0.00314635/step, 3.86932 hours remaining, 233.105469 MB of memory in use. ENERGY: 572800 3984.2819 20322.0624 14494.5662 272.3109 -203454.4093 2631.3025 0.0000 0.0000 52360.8162 -109389.0691 300.9183 -161749.8854 -109027.4792 299.5448 -73.4413 -39.9273 761156.8011 0.5538 0.7234 PRESSURE: 573000 63.0151 -68.0304 21.6181 -68.0304 -65.2329 115.607 21.6176 115.606 -281.829 GPRESSURE: 573000 53.2072 -100.711 13.9926 -174.042 -49.3363 130.707 67.5365 39.366 -205.661 PRESSAVG: 573000 33.4518 -13.4161 46.845 -13.4159 -28.5186 12.2048 46.845 12.2048 8.17358 GPRESSAVG: 573000 31.957 -14.7556 47.2188 -13.0068 -28.3243 12.7024 45.0692 14.3086 9.63535 TIMING: 573000 CPU: 1803.82, 0.00313748/step Wall: 1803.82, 0.00313748/step, 3.85822 hours remaining, 233.105469 MB of memory in use. ENERGY: 573000 3927.1690 20396.0853 14493.1242 251.7289 -203075.2787 2390.6193 0.0000 0.0000 52213.3493 -109403.2026 300.0708 -161616.5519 -109047.4228 299.2208 -94.6822 -67.2633 760179.9035 4.3689 4.4227 PRESSURE: 573200 -36.5786 -157.219 -99.8814 -157.219 -177.449 13.7121 -99.8816 13.7124 -504.89 GPRESSURE: 573200 35.5591 -90.8668 -80.2574 -160.249 -155.94 44.6617 -135.634 70.0896 -521.343 PRESSAVG: 573200 84.4432 -40.8769 19.7223 -40.8768 -58.2817 -6.6805 19.7223 -6.6804 17.9495 GPRESSAVG: 573200 85.0366 -40.0802 20.4339 -39.8931 -58.113 -8.16288 20.4619 -4.98525 16.8254 TIMING: 573200 CPU: 1804.46, 0.00316237/step Wall: 1804.46, 0.00316237/step, 3.88866 hours remaining, 233.105469 MB of memory in use. ENERGY: 573200 4029.9032 20631.5829 14477.6314 244.6326 -203371.7659 2406.6724 0.0000 0.0000 52089.1164 -109492.2270 299.3569 -161581.3434 -109129.7635 299.5087 -239.6391 -213.9078 759907.4942 14.7037 14.5830 PRESSURE: 573400 -145.113 -96.2191 3.34648 -96.2181 156.752 -206.324 3.34603 -206.324 -68.1389 GPRESSURE: 573400 -5.1968 -151.319 -46.1917 -155.998 132.483 -102.694 -103.464 -47.615 -70.7504 PRESSAVG: 573400 -16.9787 -22.0271 -3.47769 -22.0271 -11.6417 -11.2801 -3.47765 -11.2799 -4.69897 GPRESSAVG: 573400 -16.2238 -21.0051 -4.68917 -24.7559 -13.0824 -9.89633 -3.49512 -12.576 -3.98918 TIMING: 573400 CPU: 1805.09, 0.00314458/step Wall: 1805.09, 0.00314458/step, 3.86661 hours remaining, 233.105469 MB of memory in use. ENERGY: 573400 3981.4207 20497.7072 14558.8257 254.7886 -203136.5717 2448.9297 0.0000 0.0000 51941.2973 -109453.6025 298.5073 -161394.8999 -109081.2118 298.8840 -18.8333 18.8453 761272.7909 -11.1065 -11.0985 PRESSURE: 573600 -199.952 40.2072 9.05253 40.207 -241.136 232.794 9.05288 232.795 -81.3408 GPRESSURE: 573600 -201.207 32.5806 93.187 94.2808 -157.754 274.609 98.9758 223.765 -62.2173 PRESSAVG: 573600 52.9584 -5.8006 34.6214 -5.80066 28.8828 8.94311 34.6214 8.94314 5.85123 GPRESSAVG: 573600 53.5276 -9.65868 34.8437 -3.00723 30.0054 9.21198 31.6048 8.1972 4.55071 TIMING: 573600 CPU: 1805.71, 0.0031405/step Wall: 1805.71, 0.0031405/step, 3.86142 hours remaining, 233.105469 MB of memory in use. ENERGY: 573600 4020.3173 20430.8530 14484.0041 263.8466 -203327.1046 2556.5317 0.0000 0.0000 52098.1923 -109473.3597 299.4090 -161571.5520 -109110.4165 299.7668 -174.1431 -140.3925 760354.6676 29.2308 29.3613 PRESSURE: 573800 330.746 -133.94 107.03 -133.94 241.226 80.5669 107.03 80.5664 -172.49 GPRESSURE: 573800 344.168 -197.46 28.3378 -111.979 314.738 155.001 87.3578 70.426 -185.914 PRESSAVG: 573800 59.0478 12.6119 31.7674 12.6118 -53.9924 41.2494 31.7673 41.2494 18.7987 GPRESSAVG: 573800 58.023 14.7888 31.025 10.5138 -53.4344 41.9884 34.0296 41.8067 19.3612 TIMING: 573800 CPU: 1806.34, 0.00312683/step Wall: 1806.34, 0.00312683/step, 3.84443 hours remaining, 233.105469 MB of memory in use. ENERGY: 573800 4008.5594 20554.3156 14532.7263 246.2504 -203449.8926 2561.9918 0.0000 0.0000 52168.0782 -109377.9709 299.8107 -161546.0491 -109010.0045 299.5407 133.1605 157.6642 759578.3359 7.9514 7.9833 PRESSURE: 574000 -248.726 -300.66 -105.436 -300.661 -162.876 -16.9555 -105.437 -16.9562 -268.708 GPRESSURE: 574000 -179.617 -256.447 -64.2871 -335.31 -138.861 17.7935 -88.5934 -1.46477 -269.101 PRESSAVG: 574000 62.5485 -53.8691 -19.8373 -53.8691 -73.5492 -8.54171 -19.8372 -8.54167 25.3245 GPRESSAVG: 574000 61.5521 -53.2266 -20.207 -53.4479 -73.2412 -9.7132 -18.4811 -9.10911 26.2233 TIMING: 574000 CPU: 1806.96, 0.00312548/step Wall: 1806.96, 0.00312548/step, 3.8426 hours remaining, 233.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 574000 3997.8269 20491.7543 14452.5918 227.0267 -202964.4563 2171.5144 0.0000 0.0000 51835.2192 -109788.5230 297.8977 -161623.7422 -109426.3450 298.9766 -226.7699 -195.8596 761460.2679 4.7746 4.8447 PRESSURE: 574200 101.979 102.624 132.21 102.624 124.886 172.873 132.21 172.872 332.384 GPRESSURE: 574200 252.824 80.3573 107.24 106.66 78.3413 167.961 172.914 72.6511 313.099 PRESSAVG: 574200 -50.1827 13.0911 12.4609 13.091 44.8629 -17.8061 12.461 -17.8061 6.47168 GPRESSAVG: 574200 -48.0074 13.4708 12.0772 11.2085 43.3051 -18.1034 12.3311 -17.5394 5.7185 TIMING: 574200 CPU: 1807.59, 0.00311965/step Wall: 1807.59, 0.00311965/step, 3.83527 hours remaining, 233.105469 MB of memory in use. ENERGY: 574200 3880.9135 20448.6841 14506.3630 227.2012 -203780.4337 2712.0472 0.0000 0.0000 52031.8156 -109973.4090 299.0276 -162005.2247 -109610.0647 297.9814 186.4163 214.7546 758807.5231 0.3840 0.3388 PRESSURE: 574400 -86.2446 -166.154 63.9793 -166.154 -204.72 -49.381 63.9796 -49.3811 131.363 GPRESSURE: 574400 -64.1028 -198.799 97.5825 -159.731 -144.553 -48.9959 43.0454 -135.797 143.254 PRESSAVG: 574400 -20.6063 -10.8513 3.66974 -10.8513 52.8094 -63.738 3.66974 -63.7381 -14.9574 GPRESSAVG: 574400 -21.9664 -11.843 3.87196 -9.44657 53.264 -64.4046 2.90189 -64.673 -13.9527 TIMING: 574400 CPU: 1808.21, 0.00311134/step Wall: 1808.21, 0.00311134/step, 3.82488 hours remaining, 233.308594 MB of memory in use. ENERGY: 574400 3926.8625 20420.2308 14484.9144 228.7303 -203592.2953 2539.0419 0.0000 0.0000 52172.6406 -109819.8747 299.8369 -161992.5153 -109456.9383 298.3756 -53.2006 -21.8005 760804.4726 5.7486 5.7816 PRESSURE: 574600 -218.716 -166.198 -94.2359 -166.198 -198.307 -56.383 -94.2367 -56.3832 16.5643 GPRESSURE: 574600 -189.474 -70.2085 -45.3771 -107.198 -169.578 -106.588 -147.465 -97.276 37.191 PRESSAVG: 574600 -27.0917 -17.3984 -0.171701 -17.3984 31.6322 -47.1167 -0.171732 -47.1168 1.51916 GPRESSAVG: 574600 -26.0595 -14.338 0.910453 -16.7662 32.4561 -45.261 -0.0731979 -46.3608 -0.551416 TIMING: 574600 CPU: 1808.83, 0.00311405/step Wall: 1808.83, 0.00311405/step, 3.82803 hours remaining, 233.308594 MB of memory in use. ENERGY: 574600 3946.2663 20332.6415 14528.7237 241.1016 -203460.7610 2457.3665 0.0000 0.0000 51971.6257 -109983.0358 298.6816 -161954.6614 -109618.5493 298.2725 -133.4861 -107.2869 759870.5882 2.0199 1.9484 PRESSURE: 574800 -46.654 -71.105 -101.925 -71.106 151.528 50.694 -101.925 50.6949 -336.46 GPRESSURE: 574800 -9.45082 -25.705 -73.1504 -18.6536 114.368 71.3437 -198.206 64.5193 -252.219 PRESSAVG: 574800 -50.7694 -72.3841 55.0121 -72.3841 36.4116 -11.9487 55.0121 -11.9487 -2.96874 GPRESSAVG: 574800 -51.3067 -75.9663 54.6006 -71.5939 36.0182 -14.6743 55.8926 -10.542 -1.93571 TIMING: 574800 CPU: 1809.46, 0.0031553/step Wall: 1809.46, 0.0031553/step, 3.87857 hours remaining, 233.308594 MB of memory in use. ENERGY: 574800 4007.8588 20433.4452 14489.7918 250.9360 -203638.6188 2727.4191 0.0000 0.0000 51782.0303 -109947.1376 297.5920 -161729.1679 -109579.8909 297.7810 -77.1954 -49.1007 761169.8087 -5.7755 -5.7414 PRESSURE: 575000 -371.898 -95.7007 100.89 -95.7021 193.379 -91.1914 100.89 -91.1914 -276.534 GPRESSURE: 575000 -324.311 -92.9575 46.7564 -72.0427 220.304 -63.3973 39.351 -18.3683 -265.473 PRESSAVG: 575000 3.87206 -51.8563 33.3469 -51.8563 -8.30137 -26.9482 33.3469 -26.9482 -12.6067 GPRESSAVG: 575000 3.94351 -50.7829 33.0012 -54.9964 -8.63522 -24.8819 33.346 -28.02 -12.1387 TIMING: 575000 CPU: 1810.09, 0.00312389/step Wall: 1810.09, 0.00312389/step, 3.83978 hours remaining, 233.308594 MB of memory in use. ENERGY: 575000 3996.8312 20416.7424 14489.3950 262.1044 -203591.3469 2580.6873 0.0000 0.0000 51953.8559 -109891.7308 298.5795 -161845.5867 -109525.9500 297.9368 -151.6845 -123.1599 761307.9162 -5.6787 -5.6101 PRESSURE: 575200 -173.955 -235.368 42.5087 -235.368 -283.683 -122.246 42.5098 -122.245 -253.997 GPRESSURE: 575200 -99.1735 -129.759 0.685974 -201.795 -252.767 -69.8011 119.175 -37.8318 -280.206 PRESSAVG: 575200 21.9538 -54.4332 67.4702 -54.4333 -27.2062 35.4877 67.4701 35.4877 18.0693 GPRESSAVG: 575200 21.5834 -54.2019 68.9118 -53.2522 -26.846 35.9274 67.1113 37.472 17.6983 TIMING: 575200 CPU: 1810.72, 0.00313251/step Wall: 1810.72, 0.00313251/step, 3.8502 hours remaining, 233.308594 MB of memory in use. ENERGY: 575200 3969.0124 20583.0401 14524.0808 248.3659 -203578.1871 2534.9825 0.0000 0.0000 51694.7417 -110023.9637 297.0904 -161718.7053 -109660.7570 297.4335 -237.2114 -210.7155 762205.4757 4.2723 4.1452 PRESSURE: 575400 -78.2935 77.8205 157.162 77.8207 -126.398 -22.0657 157.162 -22.0648 -118.81 GPRESSURE: 575400 -65.6951 29.6448 99.1441 72.0476 -57.4582 -5.87634 85.4533 -138.616 -102.857 PRESSAVG: 575400 -18.5058 -31.855 35.1243 -31.855 27.4906 16.1111 35.1243 16.1111 11.3017 GPRESSAVG: 575400 -17.4067 -31.7562 33.0978 -31.3043 26.7402 15.8695 33.0395 12.7126 10.7848 TIMING: 575400 CPU: 1811.34, 0.00314696/step Wall: 1811.34, 0.00314696/step, 3.86779 hours remaining, 233.308594 MB of memory in use. ENERGY: 575400 4001.0298 20488.7925 14483.4023 240.4886 -203818.3529 2649.4568 0.0000 0.0000 52149.6514 -109805.5315 299.7048 -161955.1829 -109436.3387 298.4825 -107.8341 -75.3367 762388.1045 6.7622 6.7061 PRESSURE: 575600 154.32 -48.6975 -303.039 -48.6968 -133.466 128.713 -303.039 128.714 3.52808 GPRESSURE: 575600 164.836 -64.239 -308.839 -62.8892 -200.382 153.143 -239.067 140.669 137.977 PRESSAVG: 575600 64.71 -15.0258 -44.6339 -15.0259 -25.7682 -18.8551 -44.6338 -18.8551 8.89543 GPRESSAVG: 575600 63.3953 -15.2829 -44.288 -16.4119 -26.0904 -21.2715 -41.6409 -15.9561 10.3446 TIMING: 575600 CPU: 1811.97, 0.00314046/step Wall: 1811.97, 0.00314046/step, 3.85962 hours remaining, 233.308594 MB of memory in use. ENERGY: 575600 3984.3828 20657.5369 14492.6350 243.1185 -203769.7219 2605.1847 0.0000 0.0000 52059.0080 -109727.8561 299.1838 -161786.8641 -109379.7587 298.8722 8.1275 34.1436 758983.3694 15.9458 15.8832 PRESSURE: 575800 -386.982 -111.679 -135.284 -111.679 -153.21 -205.859 -135.284 -205.857 498.851 GPRESSURE: 575800 -250.839 -73.0315 -199.702 -35.649 -193.108 -204.239 -164.645 -70.3632 471.191 PRESSAVG: 575800 -29.0897 -18.0994 -18.5781 -18.0993 12.0035 4.9956 -18.5781 4.99557 -6.42379 GPRESSAVG: 575800 -27.2739 -18.3159 -19.914 -16.1737 11.7794 6.58741 -17.5525 4.02621 -7.41548 TIMING: 575800 CPU: 1812.6, 0.00313903/step Wall: 1812.6, 0.00313903/step, 3.85769 hours remaining, 233.308594 MB of memory in use. ENERGY: 575800 3965.0368 20556.1982 14450.9343 235.0526 -203719.8553 2649.1094 0.0000 0.0000 51911.2443 -109952.2794 298.3346 -161863.5238 -109592.7499 298.6579 -13.7804 9.0816 761393.7433 -7.8367 -7.6367 PRESSURE: 576000 27.9046 28.3382 17.6001 28.3375 -71.2313 52.6424 17.5992 52.6425 -63.2217 GPRESSURE: 576000 -2.94664 46.862 78.8444 48.4149 6.84094 136.262 -90.9797 46.8009 -32.6705 PRESSAVG: 576000 16.2507 13.1858 5.9099 13.1858 -70.4521 -17.1992 5.90994 -17.1994 -18.4124 GPRESSAVG: 576000 13.6871 12.0361 8.26077 13.9601 -69.4752 -17.2636 2.89846 -17.7918 -17.6089 TIMING: 576000 CPU: 1813.23, 0.00315237/step Wall: 1813.23, 0.00315237/step, 3.87391 hours remaining, 233.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 576000 3982.1688 20527.0733 14415.6917 239.6943 -203813.4198 2674.5112 0.0000 0.0000 52168.2468 -109806.0337 299.8116 -161974.2805 -109440.7878 298.7896 -35.5161 -9.5921 761850.1234 -24.2046 -24.4657 PRESSURE: 576200 -19.2183 -146.712 20.0404 -146.712 -165.588 156.731 20.0395 156.731 -525.462 GPRESSURE: 576200 -20.9752 -101.257 76.8503 -145.591 -149.431 180.84 96.7163 122.329 -459.6 PRESSAVG: 576200 43.9414 -36.9445 17.5198 -36.9445 -26.4378 28.729 17.5197 28.7291 18.0091 GPRESSAVG: 576200 44.8686 -34.6608 18.1202 -38.6834 -26.511 28.6665 17.4399 28.3184 16.8746 TIMING: 576200 CPU: 1813.86, 0.00313911/step Wall: 1813.86, 0.00313911/step, 3.85744 hours remaining, 233.308594 MB of memory in use. ENERGY: 576200 4022.7862 20443.9077 14453.7198 245.1130 -203155.7272 2249.3915 0.0000 0.0000 51966.9144 -109773.8947 298.6546 -161740.8091 -109400.3754 298.7673 -236.7560 -210.0023 761427.6250 11.8376 11.7440 LDB: ============= START OF LOAD BALANCING ============== 1826.25 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1826.25 LDB: =============== DONE WITH MIGRATION ================ 1826.26 LDB: ============= START OF LOAD BALANCING ============== 1826.57 LDB: Largest compute 7068 load 0.030313 is 15.5% of average load 0.195831 LDB: Average compute 0.004358 is 2.2% of average load 0.195831 LDB: TIME 1826.57 LOAD: AVG 0.195831 MAX 0.216272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.242 MB LDB: TIME 1826.57 LOAD: AVG 0.195831 MAX 0.216272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: TIME 1826.57 LOAD: AVG 0.195831 MAX 0.216272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: ============== END OF LOAD BALANCING =============== 1826.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1826.58 PRESSURE: 576400 28.1873 30.0339 -33.727 30.0342 137.204 129.031 -33.7269 129.031 -402.64 GPRESSURE: 576400 81.845 -19.3037 -31.1646 106.42 192.08 162.681 35.0313 61.3137 -434.36 PRESSAVG: 576400 2.95013 -3.11156 16.7977 -3.11158 16.5988 29.4582 16.7977 29.4582 4.24376 GPRESSAVG: 576400 3.25951 -3.86971 16.4794 -3.17181 16.6047 29.7456 20.0279 29.4093 4.01135 TIMING: 576400 CPU: 1814.5, 0.00319182/step Wall: 1814.5, 0.00319182/step, 3.92204 hours remaining, 234.699219 MB of memory in use. ENERGY: 576400 4073.0796 20544.0573 14452.8895 237.8044 -203431.8823 2463.3613 0.0000 0.0000 52112.2477 -109548.4425 299.4898 -161660.6902 -109190.1580 298.4835 -79.0828 -53.4781 760217.3098 7.9309 7.9585 PRESSURE: 576600 -178.127 -69.7845 115.387 -69.7847 -481.143 144.489 115.387 144.49 -40.2286 GPRESSURE: 576600 -161.17 63.5885 101.033 -10.4839 -422.762 240.482 53.7616 218.007 -41.8058 PRESSAVG: 576600 24.7604 -21.0379 27.1651 -21.0379 -16.3374 38.8578 27.1651 38.8578 20.2975 GPRESSAVG: 576600 24.6629 -20.9604 27.0201 -20.0104 -16.1222 38.334 25.406 39.8964 20.3359 TIMING: 576600 CPU: 1815.12, 0.00312992/step Wall: 1815.12, 0.00312992/step, 3.8458 hours remaining, 234.699219 MB of memory in use. ENERGY: 576600 4003.1529 20644.5172 14456.1102 247.7700 -203236.7380 2547.2916 0.0000 0.0000 51947.9455 -109389.9507 298.5456 -161337.8961 -109013.5754 299.7450 -233.1664 -208.5791 761274.4999 9.5735 9.6255 PRESSURE: 576800 -64.7515 -16.3665 -122.742 -16.3656 10.6228 -32.8235 -122.742 -32.8226 236.384 GPRESSURE: 576800 39.2725 1.91433 -178.473 -57.294 45.4542 21.9496 -130.362 -87.3068 202.573 PRESSAVG: 576800 -27.177 32.8623 -81.9757 32.8622 28.8664 20.8001 -81.9757 20.8001 17.7024 GPRESSAVG: 576800 -27.5107 32.4605 -84.1566 33.6771 29.2263 20.8654 -83.5463 19.511 17.6928 TIMING: 576800 CPU: 1815.75, 0.00315597/step Wall: 1815.75, 0.00315597/step, 3.87763 hours remaining, 234.902344 MB of memory in use. ENERGY: 576800 4001.1723 20471.1528 14433.1852 274.2608 -203668.9477 2763.6762 0.0000 0.0000 52173.2661 -109552.2341 299.8405 -161725.5002 -109186.7772 299.7458 60.7519 95.7667 761184.8302 6.4639 6.4695 PRESSURE: 577000 -200.972 -212.95 -191.729 -212.95 -103.545 -241.853 -191.728 -241.854 -403.194 GPRESSURE: 577000 -265.608 -275.941 -195.057 -65.437 -17.794 -245.283 67.0503 -234.48 -314.532 PRESSAVG: 577000 -20.0434 -11.6277 -19.8307 -11.6277 -1.01299 -3.79858 -19.8307 -3.79858 -11.6122 GPRESSAVG: 577000 -20.8753 -10.5042 -17.6552 -13.2179 -1.93364 -5.54887 -15.0285 -1.2154 -9.78318 TIMING: 577000 CPU: 1816.38, 0.00312906/step Wall: 1816.38, 0.00312906/step, 3.8444 hours remaining, 234.902344 MB of memory in use. ENERGY: 577000 4006.5574 20479.0156 14479.2607 225.1117 -203056.1770 2401.5007 0.0000 0.0000 52076.2386 -109388.4922 299.2829 -161464.7308 -109026.6754 299.9277 -235.9038 -199.3112 761646.8505 -10.8895 -10.8640 PRESSURE: 577200 127.117 102.793 115.639 102.794 89.2421 73.907 115.639 73.9064 -76.8488 GPRESSURE: 577200 163.292 82.0188 123.741 73.1565 175.523 77.6643 233.554 130.195 -133.026 PRESSAVG: 577200 -3.18975 0.635585 -42.966 0.635564 31.8283 -10.6819 -42.9661 -10.682 -6.84064 GPRESSAVG: 577200 -2.63427 -1.29058 -44.2358 -1.06487 32.7952 -10.1301 -45.9727 -9.36823 -8.33835 TIMING: 577200 CPU: 1817.01, 0.00313333/step Wall: 1817.01, 0.00313333/step, 3.84947 hours remaining, 234.972656 MB of memory in use. ENERGY: 577200 4037.0047 20699.2203 14438.0460 256.4555 -203283.4142 2518.7468 0.0000 0.0000 51866.3683 -109467.5726 298.0767 -161333.9409 -109118.1451 299.3238 46.5034 68.5963 761188.3997 7.2660 7.2742 PRESSURE: 577400 299.743 98.8083 155.662 98.8079 220.239 236.729 155.662 236.728 317.816 GPRESSURE: 577400 351.068 122.365 83.3713 113.102 325.981 240.628 169.654 164.04 253.159 PRESSAVG: 577400 16.8972 -9.29756 47.0706 -9.29751 -14.2016 62.9227 47.0707 62.9227 -13.5318 GPRESSAVG: 577400 17.5693 -8.17436 47.4043 -6.69518 -14.8021 64.0942 47.0545 58.3281 -13.1013 TIMING: 577400 CPU: 1817.63, 0.00313657/step Wall: 1817.63, 0.00313657/step, 3.85328 hours remaining, 234.972656 MB of memory in use. ENERGY: 577400 3972.4124 20487.1722 14393.2469 232.6710 -203532.6232 2771.4838 0.0000 0.0000 52213.0441 -109462.5929 300.0691 -161675.6371 -109101.8587 299.2826 279.2658 310.0697 759503.9266 -3.6121 -3.4447 PRESSURE: 577600 -594 67.7467 -72.0998 67.7457 -535.915 14.2003 -72.1001 14.1991 194.508 GPRESSURE: 577600 -578.856 21.7352 -73.2842 75.8057 -502.407 -65.7385 -31.1875 75.5316 225.343 PRESSAVG: 577600 56.0757 -20.1453 36.3342 -20.1453 -22.4286 69.5952 36.3343 69.5952 1.8237 GPRESSAVG: 577600 57.1274 -22.2649 36.4638 -21.3519 -22.7654 68.1011 36.716 71.4551 1.51247 TIMING: 577600 CPU: 1818.26, 0.00314839/step Wall: 1818.26, 0.00314839/step, 3.86762 hours remaining, 234.972656 MB of memory in use. ENERGY: 577600 3973.1657 20562.8984 14474.1340 250.5203 -203009.9199 2147.6309 0.0000 0.0000 52088.3534 -109513.2173 299.3525 -161601.5707 -109155.0559 299.4118 -311.8023 -285.3066 761534.9112 11.8236 11.9581 PRESSURE: 577800 179.111 -1.89628 162.818 -1.89587 128.279 -64.2853 162.818 -64.2854 108.881 GPRESSURE: 577800 223.485 92.2659 206.386 -35.3335 227.212 -45.8646 216.214 -205.744 45.569 PRESSAVG: 577800 -11.2575 -53.6696 22.0095 -53.6696 -22.4326 9.2126 22.0095 9.21266 9.14978 GPRESSAVG: 577800 -11.1056 -50.6549 22.6664 -53.9933 -23.5323 10.5307 22.0578 8.76449 10.365 TIMING: 577800 CPU: 1818.9, 0.0031581/step Wall: 1818.9, 0.0031581/step, 3.87937 hours remaining, 234.972656 MB of memory in use. ENERGY: 577800 4058.0336 20351.6184 14400.5110 233.1317 -203750.7231 2751.1385 0.0000 0.0000 52291.9882 -109664.3017 300.5228 -161956.2899 -109296.0303 299.1597 138.7568 165.4222 759093.7026 -8.1801 -8.0910 PRESSURE: 578000 69.0717 322.773 -80.1088 322.774 -223.156 76.2471 -80.1082 76.2455 231.689 GPRESSURE: 578000 181.948 357.111 -40.3181 222.818 -192.308 18.8736 -78.9128 192.835 177.809 PRESSAVG: 578000 -41.0721 -69.5001 -42.8748 -69.5002 44.9828 -14.0506 -42.8747 -14.0506 4.82497 GPRESSAVG: 578000 -42.5543 -68.7544 -44.4096 -68.5605 47.4639 -14.2454 -41.4926 -14.4839 4.16643 TIMING: 578000 CPU: 1819.52, 0.00311958/step Wall: 1819.52, 0.00311958/step, 3.83189 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 578000 3992.5791 20491.1451 14529.6813 240.8722 -203341.2186 2588.5396 0.0000 0.0000 51699.4495 -109798.9519 297.1174 -161498.4014 -109441.2493 299.1472 25.8682 55.8165 759700.1978 2.9119 3.0254 PRESSURE: 578200 -297.843 -24.0188 195.107 -24.0178 -363.162 33.6505 195.107 33.6495 -464.734 GPRESSURE: 578200 -237.486 59.0446 150.24 -60.5822 -325.844 78.6231 174.427 -53.3643 -479.301 PRESSAVG: 578200 -32.0955 -16.2699 -28.3944 -16.27 11.4784 73.5831 -28.3945 73.5832 -29.9754 GPRESSAVG: 578200 -30.1611 -18.0169 -27.8786 -17.566 10.3187 73.3403 -29.5385 75.4804 -30.2398 TIMING: 578200 CPU: 1820.14, 0.00311444/step Wall: 1820.14, 0.00311444/step, 3.8254 hours remaining, 234.972656 MB of memory in use. ENERGY: 578200 3953.2319 20498.8032 14469.7896 248.7077 -203541.8355 2497.9081 0.0000 0.0000 51883.4669 -109989.9282 298.1750 -161873.3951 -109622.3739 298.5779 -375.2460 -347.5435 761349.2666 -16.8642 -16.6941 PRESSURE: 578400 -154.206 1.13843 223.197 1.13782 -182.118 175.219 223.198 175.22 -137.704 GPRESSURE: 578400 -145.403 -5.21999 165.879 90.3018 -135.867 112.216 173.564 58.7234 -101.1 PRESSAVG: 578400 -6.63257 -28.1168 -13.721 -28.1169 -34.1759 51.4072 -13.721 51.4072 -1.62517 GPRESSAVG: 578400 -7.37931 -28.7701 -13.6108 -26.5434 -34.3216 50.0897 -13.2681 49.8804 -1.00368 TIMING: 578400 CPU: 1820.77, 0.00313898/step Wall: 1820.77, 0.00313898/step, 3.85536 hours remaining, 235.175781 MB of memory in use. ENERGY: 578400 3920.4943 20579.0515 14464.7010 237.9150 -203598.1011 2718.1147 0.0000 0.0000 51846.2445 -109831.5801 297.9611 -161677.8246 -109467.5504 298.7707 -158.0094 -127.4565 761083.8672 -14.1446 -14.2349 PRESSURE: 578600 38.09 -62.3176 -122.438 -62.3175 -238.024 102.61 -122.439 102.611 147.351 GPRESSURE: 578600 54.3413 -61.1623 -114.498 -82.2403 -206.989 106.699 -143.731 230.065 175.837 PRESSAVG: 578600 -26.3533 -20.8276 -47.1972 -20.8276 1.86274 37.1158 -47.1973 37.1157 8.88795 GPRESSAVG: 578600 -27.0585 -19.8089 -47.5894 -22.3644 2.47695 37.0955 -47.3446 36.7887 9.13124 TIMING: 578600 CPU: 1821.39, 0.0031201/step Wall: 1821.39, 0.00312009/step, 3.832 hours remaining, 235.175781 MB of memory in use. ENERGY: 578600 4027.4138 20492.5158 14480.1334 256.4114 -203659.3957 2647.9766 0.0000 0.0000 52049.3239 -109705.6209 299.1282 -161754.9448 -109339.9088 299.0579 -17.5278 7.7299 759384.5455 -5.2009 -5.1501 PRESSURE: 578800 -12.763 16.4996 2.27923 16.4996 93.3219 30.6156 2.27913 30.6152 347.007 GPRESSURE: 578800 30.3607 35.6257 33.5753 -51.482 157.603 95.4316 -79.4815 -44.8255 338.563 PRESSAVG: 578800 -37.1064 -4.28595 -46.0943 -4.28597 31.297 53.0178 -46.0942 53.0178 6.89125 GPRESSAVG: 578800 -36.4444 -3.09259 -44.2737 -3.94733 31.0282 53.8851 -46.9275 52.923 6.06016 TIMING: 578800 CPU: 1822.02, 0.00312622/step Wall: 1822.02, 0.00312622/step, 3.83935 hours remaining, 235.175781 MB of memory in use. ENERGY: 578800 3908.9836 20704.5705 14489.9912 252.2007 -203229.5065 2249.9269 0.0000 0.0000 52035.0816 -109588.7520 299.0463 -161623.8336 -109225.9117 299.0364 142.5218 175.5091 760618.9686 0.3606 0.2146 PRESSURE: 579000 -91.6244 -288.298 144.621 -288.298 57.4546 155.809 144.621 155.808 -347.037 GPRESSURE: 579000 59.8552 -191.046 170.478 -187.175 111.537 103.197 60.1091 65.2929 -452.74 PRESSAVG: 579000 -8.87548 -16.2474 -21.1525 -16.2474 11.5705 65.898 -21.1525 65.8979 6.09332 GPRESSAVG: 579000 -9.64932 -15.3398 -21.3616 -15.678 11.601 65.2357 -20.8514 63.0839 6.22257 TIMING: 579000 CPU: 1822.65, 0.00313187/step Wall: 1822.65, 0.00313187/step, 3.84611 hours remaining, 235.175781 MB of memory in use. ENERGY: 579000 4045.9966 20417.2323 14556.4719 236.7391 -203514.8781 2696.8119 0.0000 0.0000 52120.8407 -109440.7856 299.5392 -161561.6263 -109064.6896 299.2868 -127.0688 -93.7824 760239.5956 2.9294 2.7248 PRESSURE: 579200 -209.776 320.773 23.7937 320.772 -211.151 7.90848 23.793 7.90814 130.519 GPRESSURE: 579200 -169.478 204.433 109.326 325.673 -207.42 118.193 -53.7363 24.0118 173.174 PRESSAVG: 579200 -66.358 24.7279 52.5592 24.7279 61.9926 64.6851 52.5591 64.6851 -10.5244 GPRESSAVG: 579200 -66.134 21.2629 51.5213 24.2856 62.3376 65.9947 52.3429 66.9573 -10.8915 TIMING: 579200 CPU: 1823.27, 0.00313006/step Wall: 1823.27, 0.00313006/step, 3.84372 hours remaining, 235.175781 MB of memory in use. ENERGY: 579200 4035.9096 20487.0763 14407.3134 250.2843 -203366.0519 2757.5989 0.0000 0.0000 52004.3189 -109423.5506 298.8695 -161427.8695 -109072.4142 299.5262 -96.8028 -67.9079 760560.5346 -4.9632 -4.8960 PRESSURE: 579400 189.937 23.3958 -18.4979 23.3951 -279.929 169.577 -18.4979 169.578 614.559 GPRESSURE: 579400 255.526 128.825 -35.1726 18.1909 -224.898 45.5136 -89.3379 235.837 578.923 PRESSAVG: 579400 33.5229 17.6756 -65.4417 17.6756 13.3699 42.2409 -65.4417 42.2408 -3.8745 GPRESSAVG: 579400 32.0653 20.7933 -66.3397 17.1808 13.0941 43.3051 -66.0282 43.9233 -2.57588 TIMING: 579400 CPU: 1823.9, 0.00312621/step Wall: 1823.9, 0.00312621/step, 3.83881 hours remaining, 235.175781 MB of memory in use. ENERGY: 579400 3970.0030 20383.7908 14412.1540 249.9902 -203461.9570 2798.5530 0.0000 0.0000 52162.9825 -109484.4835 299.7814 -161647.4660 -109120.6643 299.4575 174.8557 203.1839 759524.3611 14.3394 14.1945 PRESSURE: 579600 227.969 -60.3031 104.674 -60.3042 311.04 126.168 104.674 126.167 -129.982 GPRESSURE: 579600 259.928 -115.931 94.3821 -26.7323 244.379 197.075 101.183 59.014 -0.328911 PRESSAVG: 579600 56.0821 -18.5174 -54.3748 -18.5174 -31.177 7.70035 -54.3748 7.70029 13.8932 GPRESSAVG: 579600 57.6487 -19.4702 -52.9442 -15.4876 -32.6024 5.98289 -53.8185 7.68573 13.3789 TIMING: 579600 CPU: 1824.52, 0.00311011/step Wall: 1824.52, 0.00311011/step, 3.81887 hours remaining, 235.175781 MB of memory in use. ENERGY: 579600 3961.2520 20552.8142 14434.7529 260.5556 -203514.5859 2687.5096 0.0000 0.0000 52216.6707 -109401.0308 300.0899 -161617.7016 -109042.8206 299.1746 136.3423 167.9927 760491.2665 12.9328 12.8084 PRESSURE: 579800 -436.958 -147.489 -300.646 -147.489 -593.524 -55.6106 -300.648 -55.6101 -281.324 GPRESSURE: 579800 -442.429 -126.353 -241.146 -161.437 -461.066 -59.5205 -264.482 -51.8436 -324.258 PRESSAVG: 579800 9.61472 2.31701 -88.7738 2.31697 -15.0542 -13.5823 -88.7738 -13.5823 -11.5293 GPRESSAVG: 579800 10.5137 1.77571 -87.9057 0.87457 -13.8197 -13.1927 -87.8558 -12.5723 -12.7614 TIMING: 579800 CPU: 1825.15, 0.003146/step Wall: 1825.15, 0.003146/step, 3.86276 hours remaining, 235.175781 MB of memory in use. ENERGY: 579800 3979.0143 20441.5550 14467.3265 252.4407 -203408.6016 2459.9194 0.0000 0.0000 52226.4030 -109581.9427 300.1459 -161808.3456 -109212.5613 299.2374 -437.2689 -409.2510 762442.8462 -5.6563 -5.3558 PRESSURE: 580000 -161.516 -103.78 109.454 -103.781 111.354 29.8185 109.454 29.8186 -81.8083 GPRESSURE: 580000 -15.9998 -133.365 103.924 -133.508 47.8338 62.5589 99.0442 -242.136 -94.6061 PRESSAVG: 580000 12.1749 4.58449 -5.10227 4.58445 0.426899 1.02566 -5.10232 1.02566 -1.66332 GPRESSAVG: 580000 11.7084 5.46185 -5.01933 2.79384 -0.609795 1.23903 -7.31164 -0.272233 -0.844865 TIMING: 580000 CPU: 1825.78, 0.00313587/step Wall: 1825.78, 0.00313587/step, 3.85015 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 580000 3964.8740 20434.3347 14484.1514 246.5168 -203734.2729 2793.7960 0.0000 0.0000 52072.7618 -109737.8382 299.2629 -161810.6001 -109374.8751 298.8855 -43.9902 -20.9240 762161.9440 3.6462 3.4179 PRESSURE: 580200 -60.0556 125.799 -46.2009 125.8 48.9767 181.941 -46.2011 181.941 -181.077 GPRESSURE: 580200 35.2055 69.862 -118.453 41.5207 82.8422 215.695 14.1081 244.959 -210.441 PRESSAVG: 580200 -46.8611 -49.5822 -0.274042 -49.5822 37.9526 13.5955 -0.27403 13.5954 -2.98139 GPRESSAVG: 580200 -47.1826 -49.4208 -0.56735 -49.6673 38.3839 14.4294 0.578481 12.5522 -2.51532 TIMING: 580200 CPU: 1826.4, 0.00313147/step Wall: 1826.4, 0.00313147/step, 3.84458 hours remaining, 235.175781 MB of memory in use. ENERGY: 580200 4106.6830 20429.9353 14468.1265 253.9850 -203899.9504 2829.0455 0.0000 0.0000 52193.7534 -109618.4218 299.9582 -161812.1752 -109264.7327 298.5566 -64.0520 -30.7978 761673.2644 -3.9633 -3.7713 LDB: ============= START OF LOAD BALANCING ============== 1838.8 LDB: ============== END OF LOAD BALANCING =============== 1838.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1838.8 LDB: ============= START OF LOAD BALANCING ============== 1839.11 LDB: Largest compute 7056 load 0.032067 is 16.4% of average load 0.195921 LDB: Average compute 0.004330 is 2.2% of average load 0.195921 LDB: TIME 1839.11 LOAD: AVG 0.195921 MAX 0.212163 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.691 MB LDB: TIME 1839.12 LOAD: AVG 0.195921 MAX 0.212163 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.691 MB LDB: TIME 1839.12 LOAD: AVG 0.195921 MAX 0.212163 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.691 MB LDB: ============== END OF LOAD BALANCING =============== 1839.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1839.12 PRESSURE: 580400 -294.027 15.0096 -103.967 15.0093 215.144 -4.31856 -103.969 -4.3181 171.138 GPRESSURE: 580400 -253.225 99.0149 -56.6262 19.7786 209.783 40.0888 -78.2516 108.056 220.191 PRESSAVG: 580400 -20.0963 -4.76611 52.23 -4.7661 40.2563 38.0638 52.23 38.0637 0.921086 GPRESSAVG: 580400 -20.2929 -3.18328 52.8272 -4.70105 40.222 37.2723 53.8397 39.1962 0.793266 TIMING: 580400 CPU: 1827.04, 0.00318877/step Wall: 1827.04, 0.00318877/step, 3.91475 hours remaining, 234.703125 MB of memory in use. ENERGY: 580400 3997.0735 20492.5308 14455.8979 222.4236 -203581.2706 2725.3623 0.0000 0.0000 52051.6643 -109636.3180 299.1416 -161687.9824 -109276.7281 299.0538 30.7519 58.9160 761817.2954 7.0270 6.9074 PRESSURE: 580600 -218.187 -129.782 64.2972 -129.781 -225.344 -165.213 64.2979 -165.213 -106.859 GPRESSURE: 580600 -139.077 -157.046 52.4707 -82.3479 -259.681 -250.349 35.8945 -106.593 -55.0797 PRESSAVG: 580600 -76.0286 -3.85731 -13.0705 -3.85732 75.0432 19.3573 -13.0705 19.3573 4.97366 GPRESSAVG: 580600 -75.8307 -4.73138 -13.8561 -4.36377 75.46 18.4214 -11.9278 21.0252 4.90793 TIMING: 580600 CPU: 1827.66, 0.00312079/step Wall: 1827.66, 0.00312079/step, 3.83112 hours remaining, 235.082031 MB of memory in use. ENERGY: 580600 4076.2604 20605.1198 14440.5456 259.8344 -203896.6393 2701.4447 0.0000 0.0000 51885.7586 -109927.6758 298.1882 -161813.4344 -109561.9143 298.6281 -183.4633 -151.2794 760387.6709 1.3294 1.5124 PRESSURE: 580800 16.8904 -375.79 120.987 -375.79 -110.341 134.937 120.987 134.937 121.702 GPRESSURE: 580800 0.473894 -362.714 97.6983 -354.436 -51.1151 45.4866 93.1828 42.0123 180.311 PRESSAVG: 580800 -13.3352 -47.9376 -27.3095 -47.9375 13.0572 14.3238 -27.3094 14.3238 -3.12806 GPRESSAVG: 580800 -13.036 -49.0715 -27.5619 -47.0917 12.7043 14.3877 -30.1074 14.3942 -2.9949 TIMING: 580800 CPU: 1828.28, 0.00310167/step Wall: 1828.28, 0.00310167/step, 3.80748 hours remaining, 235.082031 MB of memory in use. ENERGY: 580800 3986.6333 20593.5939 14448.2575 239.3415 -203797.4469 2729.0018 0.0000 0.0000 51856.7625 -109943.8564 298.0215 -161800.6189 -109584.6233 298.5372 9.4169 43.2233 760132.9583 -1.1354 -1.1089 PRESSURE: 581000 82.2836 60.2428 -309.607 60.2444 278.526 -39.5772 -309.607 -39.5778 314.341 GPRESSURE: 581000 99.7676 29.1485 -270.111 8.18924 270.332 51.6003 -211.496 -127.14 360.386 PRESSAVG: 581000 -23.6233 -74.276 -36.9393 -74.276 14.2886 -11.36 -36.9394 -11.36 -19.8043 GPRESSAVG: 581000 -24.9765 -73.8231 -37.6305 -75.7695 15.8467 -12.0063 -36.9872 -13.8685 -20.4422 TIMING: 581000 CPU: 1828.91, 0.00312694/step Wall: 1828.91, 0.00312694/step, 3.83831 hours remaining, 235.082031 MB of memory in use. ENERGY: 581000 3987.1114 20419.9748 14536.8294 258.1120 -203974.0309 2785.4045 0.0000 0.0000 51983.1517 -110003.4471 298.7479 -161986.5988 -109636.1425 298.4181 225.0501 243.4952 760715.2817 -9.7130 -9.8573 PRESSURE: 581200 -362.628 -141.26 106.626 -141.261 67.9921 164.327 106.625 164.328 -126.222 GPRESSURE: 581200 -329.912 -40.0044 89.3151 -111.93 75.8746 209.219 28.9881 191.359 -107.056 PRESSAVG: 581200 -14.4122 -59.5848 -70.4448 -59.5849 20.436 56.7883 -70.4448 56.7883 19.0643 GPRESSAVG: 581200 -11.2827 -58.7643 -69.8185 -59.7361 18.5401 57.8337 -68.0444 56.9302 17.7533 TIMING: 581200 CPU: 1829.53, 0.00311805/step Wall: 1829.53, 0.00311805/step, 3.82724 hours remaining, 235.101562 MB of memory in use. ENERGY: 581200 4008.7157 20567.8565 14484.8029 258.6384 -203823.8171 2630.9845 0.0000 0.0000 51821.3889 -110051.4302 297.8182 -161872.8191 -109690.7124 298.1226 -140.2860 -120.3643 759536.6607 8.3627 8.3369 PRESSURE: 581400 42.6153 -267.057 31.6515 -267.057 295.929 -8.30544 31.6506 -8.30558 221.415 GPRESSURE: 581400 99.1459 -242.245 25.5171 -243.376 302.757 -26.7865 -2.89133 13.5471 224.756 PRESSAVG: 581400 -23.5516 -74.7782 -32.7342 -74.7782 26.9358 93.8149 -32.7343 93.8149 -6.98463 GPRESSAVG: 581400 -23.657 -75.933 -33.1725 -73.4386 27.0485 92.1942 -33.5416 93.3799 -6.77579 TIMING: 581400 CPU: 1830.16, 0.00312596/step Wall: 1830.16, 0.00312596/step, 3.83677 hours remaining, 235.101562 MB of memory in use. ENERGY: 581400 4026.1424 20604.0971 14396.5315 242.7433 -203767.3249 2762.7613 0.0000 0.0000 51971.0089 -109764.0404 298.6781 -161735.0493 -109403.1291 298.6027 186.6530 208.8865 758861.3384 -1.2002 -1.1281 PRESSURE: 581600 -470.446 152.881 68.9768 152.881 -17.5297 -90.4557 68.9764 -90.4556 -272.145 GPRESSURE: 581600 -460.83 117.828 59.9013 107.474 52.9155 -145.318 178.764 -15.7954 -259.149 PRESSAVG: 581600 -43.8334 -61.1668 -27.4006 -61.1668 54.6105 14.0101 -27.4007 14.0101 -18.7854 GPRESSAVG: 581600 -45.3325 -61.1136 -27.0856 -59.8774 55.7126 14.7241 -29.5184 15.9255 -18.3081 TIMING: 581600 CPU: 1830.79, 0.00314201/step Wall: 1830.79, 0.00314201/step, 3.8563 hours remaining, 235.101562 MB of memory in use. ENERGY: 581600 4027.2560 20458.6455 14461.0562 255.9878 -203085.3119 2260.1079 0.0000 0.0000 51877.3781 -109744.8804 298.1400 -161622.2585 -109375.9411 298.8591 -253.3734 -222.3547 760868.5576 -2.6695 -2.6427 PRESSURE: 581800 -219.489 49.8682 -75.0244 49.8695 -236.314 -137.209 -75.0238 -137.209 -988.001 GPRESSURE: 581800 -222.467 9.19102 -79.5558 47.5665 -109.125 -170.002 22.8594 -71.0164 -1011.57 PRESSAVG: 581800 14.8095 -13.8526 -13.1711 -13.8525 0.422573 57.3772 -13.1712 57.3772 -17.412 GPRESSAVG: 581800 15.0399 -12.4938 -12.7125 -15.2585 0.104862 56.3302 -10.2801 55.3743 -17.2977 TIMING: 581800 CPU: 1831.42, 0.00314581/step Wall: 1831.42, 0.00314582/step, 3.86079 hours remaining, 235.101562 MB of memory in use. ENERGY: 581800 4040.5001 20419.8057 14424.2492 237.7807 -203713.0312 2657.2866 0.0000 0.0000 52332.7445 -109600.6644 300.7570 -161933.4089 -109237.6981 299.1045 -481.2681 -447.7210 760772.4377 -0.7267 -0.7176 PRESSURE: 582000 -100.261 71.1108 -4.13736 71.111 -15.6825 -200.221 -4.13819 -200.221 -134.292 GPRESSURE: 582000 -37.7747 -33.3162 -104.663 48.3084 -17.988 -175.935 -41.1823 -163.687 -103.473 PRESSAVG: 582000 -61.0836 -17.5407 -61.2116 -17.5407 77.0335 -14.5189 -61.2116 -14.5189 13.0924 GPRESSAVG: 582000 -60.1392 -17.5242 -64.604 -17.1832 76.2527 -14.2443 -62.1338 -12.2361 13.2477 TIMING: 582000 CPU: 1832.04, 0.00312085/step Wall: 1832.04, 0.00312085/step, 3.82998 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 582000 4044.8394 20549.8201 14431.0256 248.6770 -203665.0438 2663.3731 0.0000 0.0000 52128.1513 -109599.1572 299.5812 -161727.3086 -109236.1360 299.6260 -83.4119 -53.0786 761462.0226 9.6808 9.7870 PRESSURE: 582200 -155.632 -43.2481 205.19 -43.2484 26.6757 66.0297 205.188 66.03 37.1134 GPRESSURE: 582200 -162.969 64.3817 197.42 2.36492 137.487 67.3406 234.591 86.7634 -3.68375 PRESSAVG: 582200 -15.3441 26.4209 -19.1196 26.4209 46.0321 -20.4423 -19.1196 -20.4422 9.62259 GPRESSAVG: 582200 -15.5756 27.5723 -15.323 25.8954 46.7907 -18.704 -17.5501 -20.3947 9.10837 TIMING: 582200 CPU: 1832.66, 0.00311735/step Wall: 1832.66, 0.00311735/step, 3.82551 hours remaining, 235.101562 MB of memory in use. ENERGY: 582200 3959.4389 20297.1046 14433.2682 259.5225 -203398.4390 2542.6373 0.0000 0.0000 52087.8667 -109818.6008 299.3497 -161906.4675 -109449.0944 299.1720 -30.6144 -9.7220 761852.4433 13.4369 13.4412 PRESSURE: 582400 3.43729 -147.619 42.8514 -147.619 70.0321 -101.84 42.8516 -101.838 -182.876 GPRESSURE: 582400 116.836 -207.222 21.8375 -75.7399 8.03376 -124.898 -41.245 -41.6582 -147.451 PRESSAVG: 582400 -13.1866 27.5465 49.0039 27.5465 39.0517 -18.2459 49.0039 -18.2458 8.88907 GPRESSAVG: 582400 -13.1282 26.3812 48.4069 27.7367 39.2469 -19.7648 46.9789 -16.0256 8.8778 TIMING: 582400 CPU: 1833.29, 0.00315052/step Wall: 1833.29, 0.00315052/step, 3.86604 hours remaining, 235.101562 MB of memory in use. ENERGY: 582400 3956.1619 20369.6095 14477.2122 239.0622 -203132.8853 2643.3866 0.0000 0.0000 52131.9607 -109315.4923 299.6031 -161447.4529 -108946.3707 299.2786 -36.4688 -7.5270 760928.3153 11.5847 11.6655 PRESSURE: 582600 -396.067 -93.7624 12.1712 -93.762 -234.481 40.1012 12.1718 40.1014 -223.003 GPRESSURE: 582600 -397.186 -23.5614 36.0295 -121.062 -86.8789 -20.7708 45.2018 68.7804 -301.174 PRESSAVG: 582600 18.7308 -98.462 -18.9522 -98.462 -30.8906 -54.5675 -18.9522 -54.5675 0.837863 GPRESSAVG: 582600 18.0183 -98.801 -19.9175 -98.6071 -30.8862 -54.1864 -18.2354 -57.1406 1.36584 TIMING: 582600 CPU: 1833.92, 0.0031268/step Wall: 1833.92, 0.0031268/step, 3.83675 hours remaining, 235.101562 MB of memory in use. ENERGY: 582600 4057.5186 20439.9937 14413.8137 238.2409 -203133.5749 2452.4204 0.0000 0.0000 52343.0551 -109188.5325 300.8163 -161531.5876 -108834.6178 299.5509 -284.5172 -261.7465 761744.0187 -3.7740 -3.8340 PRESSURE: 582800 -68.977 142.478 318.843 142.478 2.49097 -181.235 318.843 -181.234 -295.505 GPRESSURE: 582800 -5.28074 83.9825 295.363 -24.7081 1.42588 -147.336 177.846 -65.9533 -268.933 PRESSAVG: 582800 -5.94967 -63.4493 28.0247 -63.4494 21.6469 -44.1655 28.0248 -44.1656 3.60269 GPRESSAVG: 582800 -5.86457 -63.5106 27.4768 -64.4347 21.3391 -42.6678 27.7608 -43.3275 3.94352 TIMING: 582800 CPU: 1834.54, 0.00312931/step Wall: 1834.54, 0.00312931/step, 3.83966 hours remaining, 235.101562 MB of memory in use. ENERGY: 582800 3986.9951 20353.7955 14380.9213 250.0186 -202980.0261 2413.8319 0.0000 0.0000 52316.7162 -109277.7476 300.6649 -161594.4637 -108919.5855 299.6747 -120.6637 -90.9293 759980.7868 6.4333 6.4727 PRESSURE: 583000 133.347 87.4033 -45.1809 87.4037 10.7315 367.116 -45.1809 367.116 311.582 GPRESSURE: 583000 195.454 57.1686 9.82046 165.481 21.4319 430.231 -11.0877 267.576 312.283 PRESSAVG: 583000 -8.95641 -21.3621 -3.25053 -21.3621 -47.1837 35.1828 -3.25054 35.1828 -5.03269 GPRESSAVG: 583000 -8.38947 -21.3355 -1.27444 -19.7775 -46.382 34.1564 -3.02485 33.3493 -6.22167 TIMING: 583000 CPU: 1835.17, 0.00312464/step Wall: 1835.17, 0.00312464/step, 3.83376 hours remaining, 235.101562 MB of memory in use. ENERGY: 583000 4019.4602 20597.5161 14376.7182 255.1191 -203016.6627 2318.2194 0.0000 0.0000 52185.2606 -109264.3692 299.9094 -161449.6298 -108904.5971 299.4970 151.8869 176.3895 760247.7926 -20.3909 -20.3311 PRESSURE: 583200 -40.8904 -11.5141 67.2116 -11.5139 -74.7561 67.5076 67.212 67.5079 120.808 GPRESSURE: 583200 36.2251 -43.1469 113.316 -71.2178 -76.8765 43.5918 -114.157 59.8023 118.855 PRESSAVG: 583200 7.40499 -18.3755 -13.9548 -18.3755 12.5475 74.191 -13.9548 74.1908 -10.3141 GPRESSAVG: 583200 6.54176 -20.0941 -13.0933 -16.4838 12.2607 74.7548 -14.2032 75.4366 -9.13105 TIMING: 583200 CPU: 1835.79, 0.00310796/step Wall: 1835.79, 0.00310796/step, 3.81312 hours remaining, 235.101562 MB of memory in use. ENERGY: 583200 4008.2731 20422.5395 14512.6475 242.8430 -202834.0758 2239.4202 0.0000 0.0000 51741.0955 -109667.2569 297.3568 -161408.3524 -109302.6274 299.5410 1.7206 26.0678 761621.6056 3.2128 3.2238 PRESSURE: 583400 20.2514 -39.8089 153.546 -39.8091 83.1443 86.2984 153.547 86.2994 -384.551 GPRESSURE: 583400 60.4514 -15.1497 174.434 -35.2583 122.346 45.357 22.9271 103.473 -390.436 PRESSAVG: 583400 -29.0167 8.22282 6.25306 8.22285 -19.7822 36.0983 6.25306 36.0983 11.2457 GPRESSAVG: 583400 -28.1478 8.96576 4.83907 6.19699 -19.4358 34.2064 6.88852 34.2725 10.1044 TIMING: 583400 CPU: 1836.41, 0.0031112/step Wall: 1836.41, 0.0031112/step, 3.81692 hours remaining, 235.101562 MB of memory in use. ENERGY: 583400 3992.3091 20485.0708 14443.8749 253.6646 -203910.1530 2793.6028 0.0000 0.0000 52067.8299 -109873.8009 299.2345 -161941.6307 -109514.9620 298.8142 -93.7185 -69.2129 760179.1912 -12.5177 -12.4931 PRESSURE: 583600 207.337 45.3457 60.7655 45.3457 319.228 165.695 60.7663 165.695 -51.3627 GPRESSURE: 583600 186.145 30.7604 171.563 -68.0708 402.564 89.6827 28.4534 240.898 -27.1216 PRESSAVG: 583600 -0.781885 30.8149 1.76872 30.8149 30.3746 -28.2135 1.76871 -28.2135 13.4702 GPRESSAVG: 583600 -2.1856 33.6356 2.04587 29.3959 30.5647 -27.2821 1.04584 -24.852 14.8771 TIMING: 583600 CPU: 1837.04, 0.00312207/step Wall: 1837.04, 0.00312207/step, 3.83008 hours remaining, 235.101562 MB of memory in use. ENERGY: 583600 4014.0697 20380.4477 14420.2289 284.0459 -203861.3615 2994.9310 0.0000 0.0000 51873.5002 -109894.1382 298.1177 -161767.6383 -109543.1775 298.7491 158.4008 187.1958 759097.2247 14.3543 14.4187 PRESSURE: 583800 97.4973 -203.319 -229.036 -203.319 283.41 199.552 -229.036 199.552 -231.498 GPRESSURE: 583800 177.362 -220.006 -286.551 -277.223 244.015 179.858 -105.849 185.33 -187.69 PRESSAVG: 583800 -33.3435 5.43832 -2.64017 5.43832 53.6185 31.5414 -2.64018 31.5414 -6.46378 GPRESSAVG: 583800 -31.7313 6.45626 -2.89788 5.52767 51.2193 31.0946 -2.3812 29.53 -5.91298 TIMING: 583800 CPU: 1837.66, 0.00312275/step Wall: 1837.66, 0.00312275/step, 3.83075 hours remaining, 235.101562 MB of memory in use. ENERGY: 583800 4049.9673 20331.7416 14482.1362 241.3506 -203370.3733 2603.0129 0.0000 0.0000 51830.3359 -109831.8288 297.8697 -161662.1647 -109477.0673 298.7425 49.8033 77.8957 759593.2734 4.6037 4.5250 PRESSURE: 584000 228.964 -46.9253 268.552 -46.9254 -26.5797 18.9523 268.552 18.953 190.64 GPRESSURE: 584000 278.981 -78.9347 300.006 -90.1267 34.0291 2.24949 95.1386 44.7705 169.374 PRESSAVG: 584000 -18.0392 -22.6025 -18.3795 -22.6025 -19.4794 -2.6419 -18.3796 -2.64188 23.4851 GPRESSAVG: 584000 -18.6688 -24.3353 -18.2135 -21.7608 -17.4023 -2.83273 -18.8696 -2.45594 22.6583 TIMING: 584000 CPU: 1838.29, 0.00313711/step Wall: 1838.29, 0.00313711/step, 3.84819 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 584000 3898.6949 20415.9941 14441.3891 249.3299 -203508.3904 2742.5689 0.0000 0.0000 51815.3748 -109945.0388 297.7837 -161760.4136 -109576.6740 298.3009 131.0082 160.7948 760827.9489 -4.6778 -4.4710 PRESSURE: 584200 232.141 -88.836 225.478 -88.8363 49.3391 -113.508 225.478 -113.508 -184.671 GPRESSURE: 584200 248.649 -55.7751 229.242 -214.728 98.8482 -89.4152 159.208 -151.238 -165.891 PRESSAVG: 584200 -56.4701 -68.2303 26.3011 -68.2303 -2.87971 -51.2648 26.3011 -51.2648 14.084 GPRESSAVG: 584200 -56.7989 -68.1603 24.8988 -68.004 -2.1988 -50.4048 26.8264 -50.5932 13.204 TIMING: 584200 CPU: 1838.91, 0.00312489/step Wall: 1838.91, 0.00312489/step, 3.83302 hours remaining, 235.101562 MB of memory in use. ENERGY: 584200 3973.7730 20335.4026 14388.0593 236.4092 -203689.0383 2639.0657 0.0000 0.0000 52199.0252 -109917.3032 299.9885 -162116.3284 -109559.8622 298.6320 32.2697 60.5352 760458.7826 -15.0886 -15.2646 LDB: ============= START OF LOAD BALANCING ============== 1851.31 LDB: ============== END OF LOAD BALANCING =============== 1851.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1851.31 LDB: ============= START OF LOAD BALANCING ============== 1851.62 LDB: Largest compute 7068 load 0.031473 is 16.1% of average load 0.195894 LDB: Average compute 0.004320 is 2.2% of average load 0.195894 LDB: TIME 1851.63 LOAD: AVG 0.195894 MAX 0.214947 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.613 MB LDB: TIME 1851.63 LOAD: AVG 0.195894 MAX 0.214947 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.613 MB LDB: TIME 1851.63 LOAD: AVG 0.195894 MAX 0.214947 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.613 MB LDB: ============== END OF LOAD BALANCING =============== 1851.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1851.63 PRESSURE: 584400 -248.096 -35.6512 194.671 -35.6514 191.721 -61.5325 194.671 -61.5326 308.479 GPRESSURE: 584400 -152.031 48.1093 92.1137 -17.121 164.629 -37.8529 170.764 -37.7994 309.773 PRESSAVG: 584400 -36.8312 -57.0565 15.1772 -57.0566 -8.2252 5.14892 15.1772 5.14895 9.66197 GPRESSAVG: 584400 -36.4851 -57.5513 15.9413 -55.6783 -9.36684 6.08345 14.4368 4.00736 10.5379 TIMING: 584400 CPU: 1839.55, 0.0031827/step Wall: 1839.55, 0.0031827/step, 3.90376 hours remaining, 233.160156 MB of memory in use. ENERGY: 584400 3917.9129 20466.1864 14463.6791 233.2440 -203690.3842 2621.7055 0.0000 0.0000 51925.6593 -110061.9971 298.4175 -161987.6564 -109711.9926 298.4682 84.0349 107.4570 760720.6103 -11.7981 -11.7714 PRESSURE: 584600 -248.478 128.907 58.5722 128.907 129.586 163.924 58.5713 163.924 -119.671 GPRESSURE: 584600 -170.216 115.258 6.87289 117.29 103.294 131.787 -44.132 141.467 -95.4277 PRESSAVG: 584600 -29.4472 -30.3631 -29.2821 -30.3631 58.3536 6.33802 -29.2822 6.33796 29.5548 GPRESSAVG: 584600 -29.1135 -33.1097 -28.4729 -30.2269 57.045 4.35301 -29.847 6.71324 30.2286 TIMING: 584600 CPU: 1840.17, 0.00310822/step Wall: 1840.17, 0.00310822/step, 3.81224 hours remaining, 233.164062 MB of memory in use. ENERGY: 584600 4053.4752 20496.3365 14480.5120 231.4234 -203694.5003 2416.9937 0.0000 0.0000 52033.1081 -109982.6514 299.0350 -162015.7595 -109625.6170 298.5893 -79.5207 -54.1165 760544.8302 19.4871 19.3867 PRESSURE: 584800 87.9667 -71.5055 -36.1321 -71.5045 54.7608 201.67 -36.1327 201.669 -34.3741 GPRESSURE: 584800 177.362 -83.8995 52.2854 25.9755 60.7648 158.295 38.0174 99.343 -53.8472 PRESSAVG: 584800 -51.5412 -11.3932 15.8299 -11.3932 58.0961 36.9939 15.8298 36.9938 7.85196 GPRESSAVG: 584800 -51.6742 -8.98655 17.1996 -11.7869 58.9939 37.6846 16.247 38.7112 7.15592 TIMING: 584800 CPU: 1840.8, 0.00311089/step Wall: 1840.8, 0.00311089/step, 3.81533 hours remaining, 233.406250 MB of memory in use. ENERGY: 584800 3974.2425 20393.7454 14414.2823 234.9027 -203686.3972 2513.1185 0.0000 0.0000 52059.5641 -110096.5417 299.1870 -162156.1058 -109738.0039 298.4769 36.1178 61.4264 759886.9896 4.8023 4.8252 PRESSURE: 585000 -103.531 268.793 -79.9004 268.793 -71.6003 298.093 -79.8988 298.093 233.464 GPRESSURE: 585000 -90.0871 201.068 -61.2783 188.945 -58.2304 333.297 -41.4494 169.706 286.633 PRESSAVG: 585000 -71.192 -33.5785 26.2064 -33.5784 94.3789 15.437 26.2065 15.4371 6.21588 GPRESSAVG: 585000 -71.7412 -32.7386 25.9242 -37.3361 94.7618 15.9499 25.224 11.8612 6.1726 TIMING: 585000 CPU: 1841.42, 0.0031284/step Wall: 1841.42, 0.0031284/step, 3.83663 hours remaining, 233.406250 MB of memory in use. ENERGY: 585000 3937.5343 20390.9251 14487.9598 238.8231 -203971.1652 2817.0067 0.0000 0.0000 52141.8316 -109957.0845 299.6598 -162098.9162 -109591.6649 298.4094 19.4441 46.1050 761122.7960 9.8009 9.7310 PRESSURE: 585200 40.8773 -217.973 16.2539 -217.972 99.8641 38.2666 16.2537 38.2672 17.3527 GPRESSURE: 585200 2.37731 -290.878 -104.888 -71.9269 198.942 -32.5598 40.2932 7.65833 39.5783 PRESSAVG: 585200 -62.74 -74.7297 5.05625 -74.7297 64.476 -7.15236 5.05637 -7.1524 6.17262 GPRESSAVG: 585200 -63.0369 -74.2447 2.23402 -73.3222 65.6404 -6.75503 7.05586 -3.43718 5.15273 TIMING: 585200 CPU: 1842.05, 0.00314097/step Wall: 1842.05, 0.00314096/step, 3.85187 hours remaining, 233.406250 MB of memory in use. ENERGY: 585200 3912.8095 20480.4258 14482.9772 261.8005 -203339.8203 2446.1028 0.0000 0.0000 51762.9131 -109992.7916 297.4822 -161755.7046 -109637.3977 299.0352 52.6980 80.2992 760848.0084 2.6362 2.5854 PRESSURE: 585400 282.247 -60.3911 -156.313 -60.3912 121.492 108.132 -156.312 108.132 228.031 GPRESSURE: 585400 333.598 -27.7894 -196.771 -38.2559 197.131 165.473 -201.265 139.174 181.619 PRESSAVG: 585400 -34.3372 -61.1328 -25.23 -61.1328 23.5285 0.112865 -25.2301 0.112915 -15.467 GPRESSAVG: 585400 -32.2821 -63.852 -22.2118 -60.8147 21.7261 -0.697173 -26.5549 -1.21633 -15.441 TIMING: 585400 CPU: 1842.68, 0.00315468/step Wall: 1842.68, 0.00315468/step, 3.86851 hours remaining, 233.406250 MB of memory in use. ENERGY: 585400 3956.0398 20476.1128 14480.6002 269.8516 -203830.6477 2705.6472 0.0000 0.0000 51821.0788 -110121.3173 297.8165 -161942.3961 -109759.3823 298.3242 210.5902 237.4490 760305.0187 -8.7585 -8.6657 PRESSURE: 585600 47.3755 -126.171 -117.609 -126.172 104.567 158.67 -117.609 158.669 180.645 GPRESSURE: 585600 68.6516 -75.84 -203.307 -112.021 120.437 155.479 -22.162 159.602 244.435 PRESSAVG: 585600 73.5145 -36.5921 -55.5353 -36.5921 -3.93639 -31.8319 -55.5353 -31.8319 -4.73563 GPRESSAVG: 585600 71.9292 -34.8282 -56.9189 -36.1289 -2.61584 -31.8827 -56.2525 -33.4917 -3.92435 TIMING: 585600 CPU: 1843.31, 0.00314318/step Wall: 1843.31, 0.00314318/step, 3.85424 hours remaining, 233.406250 MB of memory in use. ENERGY: 585600 3959.8809 20455.0679 14481.6250 233.5877 -203312.3814 2254.4071 0.0000 0.0000 52092.6898 -109835.1231 299.3774 -161927.8129 -109476.4536 298.5906 110.8624 144.5079 761239.3283 21.6142 21.7963 PRESSURE: 585800 -163.871 29.7273 -18.2321 29.7269 -270.447 -19.759 -18.2321 -19.7586 129.61 GPRESSURE: 585800 -111.252 45.7421 -47.5906 60.9033 -241.503 -36.9519 -4.76383 106.795 127.439 PRESSAVG: 585800 19.6574 -13.5916 -20.1761 -13.5916 4.99035 -6.5002 -20.1761 -6.50018 12.5918 GPRESSAVG: 585800 20.5918 -14.9317 -20.768 -12.2188 3.89374 -6.2127 -17.7248 -3.88872 12.2069 TIMING: 585800 CPU: 1843.93, 0.00312713/step Wall: 1843.93, 0.00312713/step, 3.83439 hours remaining, 233.406250 MB of memory in use. ENERGY: 585800 3978.6255 20506.1544 14497.2793 247.7211 -203247.8224 2184.7423 0.0000 0.0000 52075.6242 -109757.6756 299.2793 -161833.2998 -109391.3413 299.0466 -101.5689 -75.1052 760556.4478 12.4132 12.2308 PRESSURE: 586000 -377.504 4.26923 -106.862 4.26942 -66.3712 -77.9116 -106.861 -77.9114 -203.421 GPRESSURE: 586000 -332.753 -1.53983 -75.3372 -58.4291 -29.2701 -38.4227 -81.6853 41.529 -187.263 PRESSAVG: 586000 21.099 -14.2983 -11.2605 -14.2983 47.9433 -35.1789 -11.2605 -35.1789 -16.7228 GPRESSAVG: 586000 21.1752 -14.3861 -12.7866 -16.4361 47.069 -33.9693 -11.8752 -35.4821 -15.8485 TIMING: 586000 CPU: 1844.56, 0.00312989/step Wall: 1844.56, 0.00312989/step, 3.83759 hours remaining, 233.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 586000 3967.7412 20479.0859 14456.8976 234.2944 -203345.5475 2371.7231 0.0000 0.0000 52151.1204 -109684.6849 299.7132 -161835.8053 -109319.3904 299.1891 -215.7654 -183.0955 762998.1668 17.4398 17.4653 PRESSURE: 586200 -205.223 12.0872 -125.348 12.0866 52.769 -27.9195 -125.348 -27.9196 -154.803 GPRESSURE: 586200 -191.417 16.6602 -26.1866 19.7228 31.6751 -7.37341 -123.201 43.5872 -61.8074 PRESSAVG: 586200 -13.1535 -44.0385 64.383 -44.0385 -5.10621 -52.0794 64.383 -52.0794 3.66471 GPRESSAVG: 586200 -13.3795 -42.4028 66.3984 -44.728 -4.08043 -53.1012 64.4221 -52.0796 2.82571 TIMING: 586200 CPU: 1845.19, 0.00313795/step Wall: 1845.19, 0.00313795/step, 3.8473 hours remaining, 233.406250 MB of memory in use. ENERGY: 586200 4005.4786 20277.6633 14530.9743 252.5183 -203508.0645 2516.3994 0.0000 0.0000 52045.4213 -109879.6093 299.1058 -161925.0306 -109510.7978 298.8310 -102.4188 -73.8499 760367.4230 -4.8650 -4.8781 PRESSURE: 586400 -62.3207 -55.3754 -36.9814 -55.3751 -309.116 -131.168 -36.9815 -131.167 -48.8847 GPRESSURE: 586400 -53.1956 -152.372 -45.9522 -53.3471 -165.478 -147.956 -34.5954 -147.053 -116.814 PRESSAVG: 586400 5.49508 -11.5066 -12.1654 -11.5066 52.4361 -2.22877 -12.1655 -2.22879 18.8745 GPRESSAVG: 586400 6.39436 -12.3167 -11.8166 -9.30612 52.6557 -2.40707 -13.6561 -3.51208 18.2355 TIMING: 586400 CPU: 1845.82, 0.00314406/step Wall: 1845.82, 0.00314406/step, 3.85462 hours remaining, 233.406250 MB of memory in use. ENERGY: 586400 4012.5019 20575.4230 14532.2632 252.2301 -203483.2679 2363.4050 0.0000 0.0000 51960.8377 -109786.6068 298.6196 -161747.4446 -109427.1474 298.9324 -140.1071 -111.8290 761188.0803 25.6019 25.7619 PRESSURE: 586600 -21.8089 -34.1856 346.165 -34.1849 -106.312 -6.41948 346.165 -6.41838 52.3442 GPRESSURE: 586600 36.6185 -27.1506 333.831 -54.5971 -95.628 21.7661 277.282 -55.1188 75.8899 PRESSAVG: 586600 -106.417 21.2596 -17.3684 21.2595 43.7335 -11.1103 -17.3684 -11.1103 -17.4692 GPRESSAVG: 586600 -105.705 21.4035 -18.4028 21.2285 43.1454 -11.2024 -17.3466 -11.2126 -17.4975 TIMING: 586600 CPU: 1846.44, 0.00311972/step Wall: 1846.44, 0.00311972/step, 3.8246 hours remaining, 233.406250 MB of memory in use. ENERGY: 586600 4003.4957 20484.4069 14449.4103 247.1211 -203527.7618 2465.5645 0.0000 0.0000 51978.2905 -109899.4728 298.7200 -161877.7634 -109544.1206 298.9673 -25.2590 5.6268 759694.3294 -26.7177 -26.6858 PRESSURE: 586800 -141.261 -76.8972 194.065 -76.8973 184.965 106.156 194.065 106.155 71.0838 GPRESSURE: 586800 -63.2836 -141.395 150.881 -75.6579 186.702 75.5798 156.32 132.091 72.2604 PRESSAVG: 586800 8.83326 0.140533 28.9013 0.140525 30.9321 -13.0195 28.9013 -13.0195 -3.88908 GPRESSAVG: 586800 7.2211 2.40837 28.98 -2.11679 30.3039 -13.3845 29.3436 -11.9151 -1.9538 TIMING: 586800 CPU: 1847.07, 0.00312406/step Wall: 1847.07, 0.00312406/step, 3.82976 hours remaining, 233.406250 MB of memory in use. ENERGY: 586800 3889.7831 20397.8494 14503.4721 244.6149 -203360.2270 2320.5417 0.0000 0.0000 52204.3004 -109799.6652 300.0188 -162003.9656 -109438.5304 298.9854 38.2626 65.2263 760152.1019 11.9588 11.8571 PRESSURE: 587000 95.0033 -76.1904 -63.5056 -76.1914 -206.093 153.21 -63.5055 153.21 -106.287 GPRESSURE: 587000 169.177 -74.0141 -99.3773 -109.979 -174.167 112.417 -136.844 151.321 -134.536 PRESSAVG: 587000 -15.2635 -0.586758 -1.74047 -0.586748 -32.1881 6.49753 -1.74053 6.49756 -19.4403 GPRESSAVG: 587000 -14.514 -1.20999 0.765328 -0.539741 -32.0291 6.76201 -1.77084 5.21525 -20.2547 TIMING: 587000 CPU: 1847.69, 0.00312906/step Wall: 1847.69, 0.00312906/step, 3.8357 hours remaining, 233.406250 MB of memory in use. ENERGY: 587000 3956.7187 20442.8476 14425.0585 226.7752 -203271.8487 2543.9627 0.0000 0.0000 51991.8284 -109684.6576 298.7978 -161676.4859 -109321.8475 298.9873 -72.4588 -46.5089 760137.8634 -22.2973 -22.2659 PRESSURE: 587200 -164.101 -94.0926 -113.887 -94.0926 161.659 140.018 -113.887 140.019 128.577 GPRESSURE: 587200 -85.9411 -118.83 -47.0865 5.73202 260.832 71.2301 -99.2728 75.4103 30.4186 PRESSAVG: 587200 -19.4337 -16.7167 -64.3379 -16.7167 3.06112 26.934 -64.3379 26.934 8.95275 GPRESSAVG: 587200 -19.8254 -17.4492 -64.7968 -15.3989 3.09167 27.661 -64.3162 26.9978 9.56141 TIMING: 587200 CPU: 1848.32, 0.00312195/step Wall: 1848.32, 0.00312195/step, 3.82682 hours remaining, 233.406250 MB of memory in use. ENERGY: 587200 3953.4331 20284.5212 14438.2109 241.5132 -203551.3646 2597.5918 0.0000 0.0000 52186.0605 -109850.0338 299.9140 -162036.0943 -109472.2306 299.0110 42.0448 68.4367 761929.0032 -2.4733 -2.3908 PRESSURE: 587400 542.258 1.62799 -126.739 1.62819 -18.8707 -215.557 -126.738 -215.556 124.327 GPRESSURE: 587400 505.748 -78.1588 -56.2704 -36.9251 52.6516 -209.056 -131.887 -213.103 181.875 PRESSAVG: 587400 20.4726 -12.2015 -64.5928 -12.2016 50.0457 -24.4469 -64.5928 -24.4469 -8.15985 GPRESSAVG: 587400 20.394 -15.4102 -64.0921 -11.1304 49.0044 -25.8329 -63.8504 -23.3811 -7.21599 TIMING: 587400 CPU: 1848.94, 0.00314026/step Wall: 1848.94, 0.00314026/step, 3.84909 hours remaining, 233.406250 MB of memory in use. ENERGY: 587400 3904.4828 20465.7606 14539.0093 225.5916 -203535.7328 2676.3971 0.0000 0.0000 52010.2576 -109714.2337 298.9037 -161724.4913 -109357.4130 298.1764 215.9047 246.7582 761560.9826 20.7861 20.7275 PRESSURE: 587600 286.887 183.743 -5.58588 183.742 228.76 157.073 -5.58609 157.074 428.145 GPRESSURE: 587600 261.67 105.071 -27.4731 164.991 346.266 229.749 -77.802 136.108 410.379 PRESSAVG: 587600 -3.64702 -33.5063 -42.0484 -33.5063 15.07 -6.12671 -42.0484 -6.12673 19.1242 GPRESSAVG: 587600 -3.8183 -30.6755 -42.9447 -36.5025 16.7012 -5.61975 -43.8119 -3.17278 17.6536 TIMING: 587600 CPU: 1849.57, 0.00314978/step Wall: 1849.57, 0.00314978/step, 3.86058 hours remaining, 233.406250 MB of memory in use. ENERGY: 587600 3895.1958 20395.4485 14553.5769 242.2842 -203360.6715 2464.1635 0.0000 0.0000 52007.2216 -109802.7809 298.8862 -161810.0025 -109433.4367 299.0381 314.5975 339.4379 761952.1643 10.1824 10.1788 PRESSURE: 587800 -65.1392 -175.483 -16.3832 -175.483 167.665 -39.1709 -16.3833 -39.1711 191.712 GPRESSURE: 587800 -40.1509 -68.06 34.2919 -44.4326 226.314 -96.7713 -70.7754 31.509 189.72 PRESSAVG: 587800 -10.5821 -26.313 4.45189 -26.313 35.9912 -5.11234 4.45194 -5.1124 4.12263 GPRESSAVG: 587800 -9.21929 -27.5885 2.99661 -22.6444 35.6242 -5.46946 5.82174 -8.46691 3.72046 TIMING: 587800 CPU: 1850.21, 0.00316758/step Wall: 1850.21, 0.00316758/step, 3.88222 hours remaining, 233.406250 MB of memory in use. ENERGY: 587800 3917.8459 20372.2116 14434.5880 252.7655 -203369.9732 2520.0562 0.0000 0.0000 51866.6743 -110005.8317 298.0785 -161872.5060 -109654.4209 298.1877 98.0793 125.2944 761685.4175 9.8439 10.0418 PRESSURE: 588000 -48.8451 -235.007 75.7125 -235.006 -234.661 -114.071 75.7124 -114.071 -67.065 GPRESSURE: 588000 -58.8506 -109.57 66.5594 -175.969 -114.439 -29.4391 11.0713 -88.5081 -77.8613 PRESSAVG: 588000 -63.4276 -45.7987 -84.3149 -45.7987 39.6286 19.4105 -84.3149 19.4105 -1.99756 GPRESSAVG: 588000 -63.7815 -45.8736 -82.6148 -47.3145 38.8165 18.0553 -85.7591 21.9377 -0.9776 TIMING: 588000 CPU: 1850.83, 0.00313701/step Wall: 1850.83, 0.00313701/step, 3.84458 hours remaining, 233.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 588000 3932.3214 20495.9418 14381.7851 251.6306 -203407.1142 2506.7586 0.0000 0.0000 51789.0691 -110049.6076 297.6325 -161838.6767 -109688.5823 297.8893 -116.8571 -83.7169 760239.6133 -8.5988 -8.6475 PRESSURE: 588200 -358.723 -21.5329 -106.886 -21.5333 57.6809 14.1014 -106.887 14.102 -229.801 GPRESSURE: 588200 -310.113 67.8845 -175.546 -24.8127 57.029 -8.69735 21.0707 -61.3546 -194.617 PRESSAVG: 588200 17.5499 -22.768 -113.778 -22.768 13.2146 21.8072 -113.778 21.8072 -3.25305 GPRESSAVG: 588200 17.349 -23.5202 -114.528 -23.8525 12.9089 25.2417 -111.222 17.9511 -3.04638 TIMING: 588200 CPU: 1851.46, 0.00313275/step Wall: 1851.46, 0.00313275/step, 3.83918 hours remaining, 233.406250 MB of memory in use. ENERGY: 588200 3989.7943 20484.4391 14471.6745 237.0618 -203392.0189 2493.6198 0.0000 0.0000 51511.3149 -110204.1144 296.0362 -161715.4293 -109850.2951 298.3407 -176.9475 -149.2337 761988.5794 9.1705 9.0705 LDB: ============= START OF LOAD BALANCING ============== 1863.86 LDB: ============== END OF LOAD BALANCING =============== 1863.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1863.86 LDB: ============= START OF LOAD BALANCING ============== 1864.17 LDB: Largest compute 7064 load 0.031816 is 16.2% of average load 0.195866 LDB: Average compute 0.004351 is 2.2% of average load 0.195866 LDB: TIME 1864.18 LOAD: AVG 0.195866 MAX 0.213331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 1864.18 LOAD: AVG 0.195866 MAX 0.213331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: TIME 1864.18 LOAD: AVG 0.195866 MAX 0.213331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: ============== END OF LOAD BALANCING =============== 1864.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1864.18 PRESSURE: 588400 30.9729 34.744 55.9336 34.7437 -148.398 -147.188 55.9338 -147.188 46.5677 GPRESSURE: 588400 -10.6166 -49.7282 -26.6536 184.233 -64.0504 -136.033 -99.2669 -157.611 98.1411 PRESSAVG: 588400 -56.1501 -24.3624 -66.8537 -24.3624 75.7825 16.5743 -66.8537 16.5743 13.0196 GPRESSAVG: 588400 -55.8161 -23.1979 -67.7456 -22.5933 76.2914 14.9643 -68.6729 16.7127 12.4988 TIMING: 588400 CPU: 1852.1, 0.0032074/step Wall: 1852.1, 0.0032074/step, 3.93049 hours remaining, 233.164062 MB of memory in use. ENERGY: 588400 3999.6436 20641.8342 14497.3493 246.1320 -203498.8809 2238.1905 0.0000 0.0000 51942.2516 -109933.4797 298.5128 -161875.7313 -109583.2174 298.5809 -23.6193 7.8247 758668.6437 10.8840 10.9913 PRESSURE: 588600 -162.472 -152.5 20.6629 -152.501 205.56 56.2112 20.6629 56.2091 74.2987 GPRESSURE: 588600 -77.8077 -134.613 70.4149 -159.287 192.486 71.1312 -4.31187 120.132 88.0159 PRESSAVG: 588600 -49.3764 -44.2297 -27.0515 -44.2297 41.5839 22.2257 -27.0515 22.2257 11.7465 GPRESSAVG: 588600 -49.3203 -44.3935 -26.1531 -45.7894 41.6143 21.9494 -26.6952 24.8097 11.5672 TIMING: 588600 CPU: 1852.73, 0.00314191/step Wall: 1852.73, 0.00314191/step, 3.85006 hours remaining, 233.164062 MB of memory in use. ENERGY: 588600 3921.8547 20413.1007 14466.6113 260.5241 -203651.2128 2500.1056 0.0000 0.0000 52039.1190 -110049.8974 299.0695 -162089.0165 -109693.6201 298.3490 39.1288 67.5648 758592.5664 1.3180 1.2871 PRESSURE: 588800 236.466 143.582 -50.6708 143.581 147.008 -9.71801 -50.6709 -9.71831 14.1498 GPRESSURE: 588800 274.375 139.037 22.1626 228.863 219.771 -9.75837 -64.6861 -163.797 -21.0479 PRESSAVG: 588800 -38.7711 -64.5382 -12.2954 -64.5382 68.748 15.9381 -12.2955 15.9381 7.82889 GPRESSAVG: 588800 -38.7493 -64.267 -11.1977 -63.1631 68.5816 15.8399 -12.5646 15.2634 7.7244 TIMING: 588800 CPU: 1853.36, 0.00312957/step Wall: 1853.36, 0.00312957/step, 3.83477 hours remaining, 233.164062 MB of memory in use. ENERGY: 588800 3990.8201 20461.0300 14460.2793 261.5816 -203976.8316 2696.5529 0.0000 0.0000 52095.8138 -110010.7540 299.3954 -162106.5678 -109654.1826 298.5230 132.5414 157.6994 759004.5982 12.6019 12.5189 PRESSURE: 589000 -103.556 19.9706 -69.155 19.9715 276.475 128.736 -69.1558 128.736 -59.3533 GPRESSURE: 589000 51.7774 -31.5761 -116.856 -27.0521 238.247 144.572 -11.9071 81.0573 -92.5264 PRESSAVG: 589000 -26.5003 29.2328 -13.6314 29.2329 48.5111 12.4396 -13.6315 12.4396 7.15695 GPRESSAVG: 589000 -26.2534 28.1681 -14.4667 29.3356 47.8316 12.687 -15.8892 12.6013 8.07777 TIMING: 589000 CPU: 1853.99, 0.00314407/step Wall: 1853.99, 0.00314407/step, 3.85236 hours remaining, 233.570312 MB of memory in use. ENERGY: 589000 3990.2132 20523.3725 14456.4987 256.7402 -203607.9694 2453.2101 0.0000 0.0000 51903.1658 -110024.7690 298.2882 -161927.9348 -109657.2801 298.5397 37.8552 65.8325 758948.4895 9.7226 9.8853 PRESSURE: 589200 18.4705 -2.04935 -150.957 -2.04914 78.3548 -129.921 -150.957 -129.921 428.494 GPRESSURE: 589200 -55.2855 -85.9872 -150.017 10.8447 196.553 -142.78 -160.278 -134.499 469.465 PRESSAVG: 589200 8.53317 -6.41669 15.0989 -6.41674 -22.536 -29.3469 15.0989 -29.3468 -10.3927 GPRESSAVG: 589200 8.76127 -5.42681 15.3367 -7.99569 -21.7787 -28.5273 15.5368 -30.3394 -11.2857 TIMING: 589200 CPU: 1854.61, 0.00313544/step Wall: 1854.61, 0.00313544/step, 3.84161 hours remaining, 233.570312 MB of memory in use. ENERGY: 589200 4008.3987 20614.6146 14436.2050 257.5215 -203922.2161 2788.2707 0.0000 0.0000 51804.8545 -110012.3510 297.7232 -161817.2055 -109651.7405 298.1314 175.1063 203.5775 758012.0036 -8.1318 -8.1010 PRESSURE: 589400 352.703 182.515 277.838 182.516 239.729 192.02 277.838 192.021 -82.9337 GPRESSURE: 589400 303.538 273.138 210.648 179.406 288.956 230.382 223.595 36.5754 -7.89748 PRESSAVG: 589400 7.39869 -46.5511 -21.7823 -46.5511 -0.00679726 94.4184 -21.7824 94.4184 12.0445 GPRESSAVG: 589400 5.80055 -45.0126 -20.2221 -47.1999 -0.00218792 94.5281 -19.7531 95.3615 13.1373 TIMING: 589400 CPU: 1855.24, 0.00311977/step Wall: 1855.24, 0.00311977/step, 3.82224 hours remaining, 233.570312 MB of memory in use. ENERGY: 589400 3998.4079 20438.6223 14462.3997 244.8597 -203894.8991 2690.2786 0.0000 0.0000 51910.3496 -110149.9813 298.3295 -162060.3309 -109800.2555 298.5132 169.8330 194.8655 760154.2823 6.4788 6.3119 PRESSURE: 589600 -408.85 -208.738 -82.0553 -208.738 -298.406 -18.2531 -82.0547 -18.2516 -223.305 GPRESSURE: 589600 -305.122 -180.885 -107.369 -246.643 -347.005 -15.8556 -172.074 -86.943 -193.506 PRESSAVG: 589600 -34.2259 -62.1724 -3.30849 -62.1724 48.3067 38.2556 -3.30846 38.2556 -5.61711 GPRESSAVG: 589600 -33.0155 -63.1231 -4.75392 -61.9967 48.989 38.4687 -3.8255 38.0799 -7.36676 TIMING: 589600 CPU: 1855.86, 0.00313656/step Wall: 1855.86, 0.00313656/step, 3.84264 hours remaining, 233.570312 MB of memory in use. ENERGY: 589600 4021.2499 20430.6769 14518.2904 257.0513 -203531.2160 2442.6330 0.0000 0.0000 51844.1234 -110017.1910 297.9489 -161861.3145 -109659.4571 298.3355 -310.1869 -281.8775 762469.8960 2.8212 2.8689 PRESSURE: 589800 -124.395 -145.919 55.0813 -145.918 -472.485 321.623 55.0813 321.622 -312.159 GPRESSURE: 589800 -67.4422 -12.2879 125.7 6.8642 -448.34 350.577 -80.6055 277.766 -293.943 PRESSAVG: 589800 14.9283 -41.5915 60.8417 -41.5916 13.4159 -22.1799 60.8417 -22.1799 -14.4382 GPRESSAVG: 589800 15.6281 -40.2013 60.0005 -41.1442 12.1602 -22.2009 57.4569 -22.3472 -13.4272 TIMING: 589800 CPU: 1856.49, 0.00314167/step Wall: 1856.49, 0.00314167/step, 3.84872 hours remaining, 233.570312 MB of memory in use. ENERGY: 589800 4010.7552 20226.5664 14477.0002 228.2608 -203739.1369 2787.0290 0.0000 0.0000 51737.0248 -110272.5004 297.3334 -162009.5252 -109898.8810 298.3562 -303.0129 -269.9086 762551.9521 4.6353 4.7870 PRESSURE: 590000 264.959 15.7714 96.1429 15.7722 -39.0659 55.6296 96.1434 55.6298 412.379 GPRESSURE: 590000 250.468 6.98251 152.813 -99.1546 66.7624 45.4264 117.724 31.9557 415.255 PRESSAVG: 590000 -5.88975 -34.3765 -4.52807 -34.3765 7.17242 8.31126 -4.52807 8.31124 9.35471 GPRESSAVG: 590000 -7.25131 -34.5756 -3.72414 -34.6395 8.25751 7.53599 -3.10306 8.58498 9.51451 TIMING: 590000 CPU: 1857.12, 0.00313772/step Wall: 1857.12, 0.00313772/step, 3.84371 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 590000 4025.3882 20461.9281 14428.8593 251.0233 -203602.4593 2667.5521 0.0000 0.0000 51660.1540 -110107.5541 296.8916 -161767.7081 -109740.4852 297.5661 212.7576 244.1619 761474.4307 3.5458 3.5069 PRESSURE: 590200 -120.288 122.227 -171.963 122.226 302.863 0.866867 -171.963 0.867014 -275.181 GPRESSURE: 590200 -18.8445 169.061 -212.795 14.8803 278.147 1.93825 -216.278 -86.0836 -250.372 PRESSAVG: 590200 -33.8484 -16.3219 44.2796 -16.3219 23.1811 5.88588 44.2796 5.88588 -10.759 GPRESSAVG: 590200 -33.4119 -17.5627 42.6501 -13.8417 22.7056 6.38594 47.4186 7.75746 -10.6789 TIMING: 590200 CPU: 1857.74, 0.00312563/step Wall: 1857.74, 0.00312563/step, 3.82872 hours remaining, 233.570312 MB of memory in use. ENERGY: 590200 3986.2866 20545.2024 14429.7228 242.0455 -203711.3659 2742.2039 0.0000 0.0000 51630.1909 -110135.7138 296.7194 -161765.9047 -109783.5570 298.0697 -30.8687 2.9770 761450.3713 -7.1421 -7.1284 PRESSURE: 590400 -127.82 -219.328 157.617 -219.326 -562.517 -110.826 157.617 -110.827 -54.2318 GPRESSURE: 590400 -47.9383 -278.834 143.98 -115.037 -481.751 -97.4338 267.017 -68.0525 -120.09 PRESSAVG: 590400 -44.5053 -41.0613 8.45425 -41.0613 29.8853 6.64215 8.45417 6.6422 14.6916 GPRESSAVG: 590400 -43.6305 -43.1421 10.0416 -42.9853 28.6613 6.82846 6.75915 4.26316 14.8804 TIMING: 590400 CPU: 1858.37, 0.00314435/step Wall: 1858.37, 0.00314435/step, 3.85149 hours remaining, 233.570312 MB of memory in use. ENERGY: 590400 4071.8446 20529.9723 14447.6092 259.5085 -203635.8513 2454.6958 0.0000 0.0000 51655.4793 -110216.7416 296.8647 -161872.2209 -109854.1152 298.0050 -248.1897 -216.5931 760143.3624 0.0239 -0.0296 PRESSURE: 590600 41.9431 -188.859 25.4839 -188.86 234.083 46.9095 25.4835 46.9092 -216.631 GPRESSURE: 590600 4.28172 -243.32 30.3566 -198.342 265.248 16.1079 106.119 33.0956 -134.197 PRESSAVG: 590600 0.418351 -37.4819 11.3547 -37.4819 17.5373 17.7217 11.3546 17.7217 -10.1173 GPRESSAVG: 590600 -1.41854 -35.056 10.8374 -38.1969 19.0551 17.7749 11.1011 16.6738 -9.20099 TIMING: 590600 CPU: 1859, 0.00311765/step Wall: 1859, 0.00311765/step, 3.81861 hours remaining, 233.570312 MB of memory in use. ENERGY: 590600 3905.4799 20720.5462 14415.6844 260.4029 -203927.7650 2668.8969 0.0000 0.0000 51958.9148 -109997.8399 298.6086 -161956.7548 -109635.7131 298.3590 19.7984 45.1111 761214.8986 2.6128 2.8119 PRESSURE: 590800 -217.315 25.9339 -139.407 25.9343 -283.435 -204.124 -139.408 -204.124 222.388 GPRESSURE: 590800 -213.151 -14.2126 -183.31 -79.9533 -217.984 -242.588 -66.2266 -211.075 220.625 PRESSAVG: 590800 21.1945 -8.97322 -0.314218 -8.97323 15.2884 36.695 -0.314206 36.695 1.3239 GPRESSAVG: 590800 21.8485 -9.57115 -1.75195 -9.16031 15.2795 36.145 0.109108 36.8507 0.661179 TIMING: 590800 CPU: 1859.62, 0.00311609/step Wall: 1859.62, 0.00311609/step, 3.81651 hours remaining, 233.570312 MB of memory in use. ENERGY: 590800 4000.0283 20524.3015 14409.1274 239.8113 -203293.5948 2399.3325 0.0000 0.0000 51786.6192 -109934.3746 297.6184 -161720.9938 -109577.3086 298.5985 -92.7874 -70.1703 761052.5381 12.6023 12.5964 PRESSURE: 591000 254.711 -143.28 20.3831 -143.281 -157.043 83.2088 20.3827 83.2101 80.567 GPRESSURE: 591000 256.975 -200.689 17.2862 -154.255 -97.8786 153.168 0.751462 152.259 96.6584 PRESSAVG: 591000 -1.18751 -60.0162 -58.0033 -60.0163 1.57283 -2.18305 -58.0033 -2.18308 -2.7203 GPRESSAVG: 591000 -0.209078 -59.8377 -56.6895 -60.0832 0.142749 -1.5475 -56.5195 -0.828178 -2.93462 TIMING: 591000 CPU: 1860.24, 0.00310848/step Wall: 1860.24, 0.00310848/step, 3.80703 hours remaining, 233.570312 MB of memory in use. ENERGY: 591000 3913.5178 20516.9960 14451.8774 249.6503 -203494.1718 2567.8730 0.0000 0.0000 51878.4229 -109915.8344 298.1460 -161794.2573 -109564.9062 298.1768 59.4114 85.2516 760012.8231 -0.7783 -1.0003 PRESSURE: 591200 69.3954 -158.519 -146.333 -158.519 320.367 -79.1208 -146.334 -79.1206 580.915 GPRESSURE: 591200 134.465 -52.6865 -155.768 -261.496 357.076 -51.3048 -120.707 -117.309 560.067 PRESSAVG: 591200 -29.4331 -0.579388 -36.3126 -0.579315 39.576 24.8206 -36.3126 24.8206 2.0663 GPRESSAVG: 591200 -30.1707 -0.797192 -35.0334 -2.01252 39.4441 23.6653 -35.9895 27.3176 2.51421 TIMING: 591200 CPU: 1860.87, 0.00311617/step Wall: 1860.87, 0.00311617/step, 3.81627 hours remaining, 233.570312 MB of memory in use. ENERGY: 591200 4005.9879 20504.8802 14422.7442 258.4147 -203844.2354 3058.1638 0.0000 0.0000 52029.6953 -109564.3493 299.0154 -161594.0445 -109204.1530 299.0323 323.5593 350.5360 760588.6432 4.0697 3.9292 PRESSURE: 591400 -481.304 -239.389 -6.63864 -239.388 -55.4069 -32.9378 -6.63865 -32.9373 -114.36 GPRESSURE: 591400 -416.499 -307.386 -43.6689 -300.933 -0.123438 -103.286 118.407 -156.905 -137.52 PRESSAVG: 591400 -68.2391 -58.9242 -5.9166 -58.9242 44.3006 5.39895 -5.91659 5.39895 -14.4206 GPRESSAVG: 591400 -68.6461 -60.5018 -6.81872 -57.2385 44.9023 6.70879 -6.87082 2.38651 -14.5317 TIMING: 591400 CPU: 1861.49, 0.00310643/step Wall: 1861.49, 0.00310643/step, 3.80417 hours remaining, 233.570312 MB of memory in use. ENERGY: 591400 4046.5875 20503.8153 14475.9539 265.1160 -203282.2719 2264.1162 0.0000 0.0000 52099.8956 -109626.7874 299.4188 -161726.6830 -109257.2277 299.2055 -217.0238 -184.7141 760883.4024 -12.7864 -12.7585 PRESSURE: 591600 416.414 -174.452 -53.2809 -174.451 -36.9425 -99.5984 -53.2806 -99.5988 -316.414 GPRESSURE: 591600 434.094 -90.9453 30.3129 -26.7562 41.2287 -94.8598 -90.2148 -95.9895 -338.571 PRESSAVG: 591600 21.7192 -52.6221 7.24131 -52.6221 14.34 20.4615 7.24127 20.4614 5.46236 GPRESSAVG: 591600 21.7766 -50.5653 9.19241 -51.6689 15.2062 20.2478 7.70333 22.0299 5.2182 TIMING: 591600 CPU: 1862.11, 0.00310734/step Wall: 1862.11, 0.00310734/step, 3.80511 hours remaining, 233.570312 MB of memory in use. ENERGY: 591600 3994.5488 20412.6559 14537.1370 253.4989 -203474.4720 2496.1858 0.0000 0.0000 52012.0741 -109768.3716 298.9141 -161780.4458 -109404.9593 299.4247 21.0191 45.5836 759074.3366 13.8405 14.0670 PRESSURE: 591800 2.0018 141.874 -243.863 141.873 218.442 116.668 -243.863 116.668 73.7343 GPRESSURE: 591800 48.6857 14.0519 -259.013 115.53 279.708 54.278 -100.921 62.5699 44.8144 PRESSAVG: 591800 -3.57073 -36.3637 -19.4149 -36.3637 1.18615 -19.704 -19.4149 -19.704 7.95616 GPRESSAVG: 591800 -3.3848 -39.0415 -20.7549 -36.98 -0.237873 -20.1017 -21.4842 -20.9515 8.69553 TIMING: 591800 CPU: 1862.73, 0.00310567/step Wall: 1862.73, 0.00310567/step, 3.8029 hours remaining, 233.570312 MB of memory in use. ENERGY: 591800 3928.5853 20493.2307 14492.1976 240.1012 -203704.2878 2796.5562 0.0000 0.0000 52048.9149 -109704.7019 299.1258 -161753.6168 -109355.2300 299.5764 98.0593 124.4027 758909.6705 1.8572 1.6910 PRESSURE: 592000 74.575 -162.065 -102.359 -162.064 26.3265 39.207 -102.359 39.207 -102.952 GPRESSURE: 592000 158.063 -75.692 -62.9782 -188.202 -6.35384 44.0276 -108.71 90.4631 -67.9152 PRESSAVG: 592000 9.69823 -19.5684 -5.88789 -19.5684 67.9007 58.0256 -5.88789 58.0256 9.12089 GPRESSAVG: 592000 10.7033 -18.0036 -6.32824 -20.9261 68.0941 57.9682 -3.40147 57.9811 8.05677 TIMING: 592000 CPU: 1863.35, 0.0031242/step Wall: 1863.35, 0.0031242/step, 3.8254 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 592000 4025.4704 20511.3109 14482.0623 255.2361 -203738.6707 2748.5086 0.0000 0.0000 52191.6578 -109524.4246 299.9462 -161716.0824 -109172.9936 299.6753 -0.6834 27.9313 758917.3962 28.9066 28.9514 PRESSURE: 592200 -347.983 -31.6842 -72.632 -31.6836 -252.585 -33.3995 -72.6323 -33.3995 -674.34 GPRESSURE: 592200 -403.395 -54.9732 -73.2411 73.2215 -194.193 -57.4395 -24.3551 46.3299 -599.121 PRESSAVG: 592200 -35.3156 -30.6134 -35.6301 -30.6133 17.0631 -0.555987 -35.6301 -0.555921 -14.2961 GPRESSAVG: 592200 -36.7973 -31.8002 -35.293 -27.4838 17.4823 -1.82042 -37.9042 1.62424 -12.9472 TIMING: 592200 CPU: 1863.98, 0.00311695/step Wall: 1863.98, 0.00311695/step, 3.81635 hours remaining, 233.570312 MB of memory in use. ENERGY: 592200 3998.9963 20584.7358 14388.2791 247.2723 -202877.8106 2336.5126 0.0000 0.0000 51717.1951 -109604.8194 297.2194 -161322.0145 -109232.9957 299.1659 -424.9695 -398.9031 761870.0767 -10.8496 -10.7541 LDB: ============= START OF LOAD BALANCING ============== 1876.37 LDB: ============== END OF LOAD BALANCING =============== 1876.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1876.38 LDB: ============= START OF LOAD BALANCING ============== 1876.69 LDB: Largest compute 7078 load 0.030892 is 15.8% of average load 0.195927 LDB: Average compute 0.004357 is 2.2% of average load 0.195927 LDB: TIME 1876.69 LOAD: AVG 0.195927 MAX 0.213346 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.164 MB LDB: TIME 1876.69 LOAD: AVG 0.195927 MAX 0.213346 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.367 MB LDB: TIME 1876.69 LOAD: AVG 0.195927 MAX 0.213346 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.367 MB LDB: ============== END OF LOAD BALANCING =============== 1876.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1876.7 PRESSURE: 592400 201.569 118.442 -21.9748 118.441 195.942 -60.0794 -21.9751 -60.0796 150.312 GPRESSURE: 592400 207.429 90.1289 -24.3735 66.4073 238.336 -85.4223 -19.5749 -190.735 217.105 PRESSAVG: 592400 22.2145 -60.487 7.01415 -60.487 9.23186 21.676 7.01416 21.676 44.9703 GPRESSAVG: 592400 23.417 -58.7785 7.16946 -62.3871 9.39762 22.7984 7.82688 20.3073 43.9268 TIMING: 592400 CPU: 1864.62, 0.00319254/step Wall: 1864.62, 0.00319254/step, 3.90873 hours remaining, 232.652344 MB of memory in use. ENERGY: 592400 3927.9114 20386.1035 14350.9387 254.2426 -203500.5426 2721.3017 0.0000 0.0000 52191.1108 -109668.9340 299.9430 -161860.0448 -109300.8151 299.0966 182.6075 220.9569 758476.3164 25.4722 25.5805 PRESSURE: 592600 237.793 -105.46 116.502 -105.46 362.248 67.9097 116.503 67.9094 124.569 GPRESSURE: 592600 244.377 -182.015 77.949 -190.07 416.172 27.8921 61.941 53.834 143.009 PRESSAVG: 592600 10.8133 6.95391 66.3616 6.95393 -14.3708 -5.92839 66.3617 -5.92848 -0.129206 GPRESSAVG: 592600 10.8738 7.33888 66.3135 7.62586 -13.8757 -5.2266 63.6652 -5.03614 -0.190304 TIMING: 592600 CPU: 1865.24, 0.00313574/step Wall: 1865.24, 0.00313574/step, 3.83902 hours remaining, 232.652344 MB of memory in use. ENERGY: 592600 3957.2645 20630.7084 14438.3352 236.3798 -203416.0669 2521.6377 0.0000 0.0000 52101.8668 -109529.8745 299.4301 -161631.7413 -109167.2978 299.6929 241.5366 267.8527 758935.9358 -1.2289 -1.0641 PRESSURE: 592800 -269.768 -164.991 -43.8407 -164.991 -348.97 -138.882 -43.8407 -138.882 -293.278 GPRESSURE: 592800 -153.551 -124.749 -19.3928 -114.986 -368.726 -165.635 -44.6431 -162.675 -284.13 PRESSAVG: 592800 -19.9925 6.57664 32.5102 6.5766 60.5412 -24.2464 32.5102 -24.2463 -11.8883 GPRESSAVG: 592800 -19.0047 7.55325 31.7182 3.47954 59.5826 -25.6646 36.0628 -24.3816 -11.6718 TIMING: 592800 CPU: 1865.87, 0.003151/step Wall: 1865.87, 0.003151/step, 3.85753 hours remaining, 232.652344 MB of memory in use. ENERGY: 592800 3984.1302 20451.1842 14461.1008 256.2516 -203385.7044 2302.0294 0.0000 0.0000 52358.2870 -109572.7213 300.9038 -161931.0083 -109204.8302 299.6044 -304.0052 -268.8022 760034.9152 9.5535 9.6354 PRESSURE: 593000 -22.9508 -190.028 7.58715 -190.028 -62.3048 50.1666 7.58677 50.1671 318.197 GPRESSURE: 593000 -19.5467 -232.883 -6.32942 -156.792 56.6782 -18.4865 -87.2694 104.485 285.269 PRESSAVG: 593000 -36.9016 -54.0355 -6.04961 -54.0355 -16.2589 17.3069 -6.04957 17.307 -1.22101 GPRESSAVG: 593000 -38.5943 -56.6552 -6.54936 -51.6333 -14.8017 17.6249 -7.42123 16.9433 -0.950903 TIMING: 593000 CPU: 1866.5, 0.00313921/step Wall: 1866.5, 0.00313921/step, 3.84291 hours remaining, 232.742188 MB of memory in use. ENERGY: 593000 3922.4696 20554.7816 14491.3344 232.0950 -203987.2559 2927.2525 0.0000 0.0000 52171.6814 -109687.6414 299.8314 -161859.3228 -109329.7928 299.4713 77.6471 107.4668 761426.1094 -18.1272 -18.1157 PRESSURE: 593200 233.949 108.344 -82.0409 108.345 139.145 99.9888 -82.04 99.9898 -58.082 GPRESSURE: 593200 233.506 65.1135 19.1046 111.162 115.394 58.0162 -108.086 165.752 41.4525 PRESSAVG: 593200 63.4886 6.29145 8.38651 6.29146 -56.8115 -5.98206 8.3865 -5.98214 -25.1103 GPRESSAVG: 593200 63.5555 7.0491 9.66744 4.72104 -56.7552 -5.55708 8.62227 -6.76971 -25.6466 TIMING: 593200 CPU: 1867.13, 0.00314286/step Wall: 1867.13, 0.00314286/step, 3.84721 hours remaining, 232.742188 MB of memory in use. ENERGY: 593200 3988.2394 20609.7267 14494.4916 241.3126 -203996.3613 2964.9700 0.0000 0.0000 51914.9631 -109782.6580 298.3560 -161697.6211 -109424.7151 299.4476 105.0043 130.1174 760799.0050 -6.1444 -6.2821 PRESSURE: 593400 -27.1236 -41.2635 -124.731 -41.2633 -321.449 50.4001 -124.732 50.4006 123.361 GPRESSURE: 593400 -11.1607 52.2425 -209.582 -15.4054 -260.831 185.589 -103.009 53.1062 136.232 PRESSAVG: 593400 92.7156 -25.65 -24.299 -25.65 -91.1423 23.14 -24.299 23.14 27.8025 GPRESSAVG: 593400 94.4816 -25.8017 -25.9586 -24.118 -92.0383 24.6472 -24.422 23.3321 27.2122 TIMING: 593400 CPU: 1867.76, 0.00313468/step Wall: 1867.76, 0.00313468/step, 3.83702 hours remaining, 232.742188 MB of memory in use. ENERGY: 593400 4000.4760 20239.3500 14388.1743 249.2815 -203490.1449 2637.9746 0.0000 0.0000 52312.3605 -109662.5279 300.6399 -161974.8884 -109290.1784 299.7499 -75.0708 -45.2532 760569.6054 9.7919 9.8852 PRESSURE: 593600 174.968 78.538 -200.093 78.5378 -389.47 -26.8314 -200.092 -26.8305 34.0789 GPRESSURE: 593600 34.0112 174.209 -273.117 27.05 -240.049 -46.8416 -193.306 116.112 89.8004 PRESSAVG: 593600 38.9861 -9.976 18.2317 -9.97598 -11.2466 21.423 18.2317 21.4229 -1.73292 GPRESSAVG: 593600 36.5771 -9.0523 19.151 -11.6337 -10.7237 19.7725 19.6998 21.0764 0.57105 TIMING: 593600 CPU: 1868.38, 0.00313499/step Wall: 1868.38, 0.00313499/step, 3.83722 hours remaining, 232.742188 MB of memory in use. ENERGY: 593600 4011.2645 20584.6252 14399.5093 243.2400 -203577.9449 2638.0710 0.0000 0.0000 52094.8026 -109606.4322 299.3895 -161701.2348 -109245.5208 299.7571 -60.1413 -38.7458 761347.3708 8.6688 8.8081 PRESSURE: 593800 142.691 148.709 51.743 148.709 109.952 -17.6295 51.743 -17.6301 503.543 GPRESSURE: 593800 140.769 52.8664 20.8544 202.841 197.737 -88.2756 146.368 -18.709 512.931 PRESSAVG: 593800 19.2224 -41.2369 -19.6894 -41.2369 -20.0929 -30.0218 -19.6894 -30.0218 -8.45505 GPRESSAVG: 593800 20.1325 -43.5422 -21.2414 -39.9828 -20.4764 -29.8823 -20.9747 -29.1998 -9.14565 TIMING: 593800 CPU: 1869.01, 0.00314349/step Wall: 1869.01, 0.00314349/step, 3.84745 hours remaining, 232.742188 MB of memory in use. ENERGY: 593800 3997.1481 20380.7623 14429.2776 237.3269 -203970.5682 2967.4203 0.0000 0.0000 52065.9974 -109892.6356 299.2240 -161958.6330 -109538.2250 298.9917 252.0621 283.8122 759966.7787 -3.1085 -3.1632 PRESSURE: 594000 -9.75473 -159.425 79.1551 -159.426 -150.703 126.021 79.1555 126.022 462.689 GPRESSURE: 594000 99.2619 -140.478 65.4157 -120.778 -133.736 83.8738 98.0498 -54.4325 425.382 PRESSAVG: 594000 52.7236 -27.7128 48.1066 -27.7128 -38.0388 11.1325 48.1065 11.1325 2.00973 GPRESSAVG: 594000 53.5316 -24.4222 49.3625 -25.8419 -37.9999 11.2721 48.2435 9.4702 1.3182 TIMING: 594000 CPU: 1869.64, 0.00312342/step Wall: 1869.64, 0.00312342/step, 3.82272 hours remaining, 232.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 594000 3963.7475 20355.4622 14450.7298 244.6832 -203794.7467 2857.4226 0.0000 0.0000 51983.1831 -109939.5182 298.7481 -161922.7013 -109582.0115 298.5313 100.7440 130.3027 759720.2923 5.5648 5.6166 PRESSURE: 594200 -74.759 125.267 83.7509 125.266 -45.7541 -260.095 83.7504 -260.095 128.386 GPRESSURE: 594200 20.6691 119.512 76.9061 157.022 -50.6369 -206.117 50.125 -190.451 117.288 PRESSAVG: 594200 0.508318 -31.8044 38.0401 -31.8044 -6.16551 -22.1361 38.0401 -22.1362 -7.02438 GPRESSAVG: 594200 -0.913006 -32.6648 38.1077 -33.5796 -5.74195 -23.9626 37.373 -20.5909 -5.88674 TIMING: 594200 CPU: 1870.26, 0.00312898/step Wall: 1870.26, 0.00312898/step, 3.82936 hours remaining, 232.742188 MB of memory in use. ENERGY: 594200 3958.4361 20543.0142 14449.6375 257.5193 -203764.6030 2637.5500 0.0000 0.0000 51979.2231 -109939.2228 298.7253 -161918.4459 -109590.5929 298.2995 2.6244 29.1067 760850.0658 -4.2272 -4.1806 PRESSURE: 594400 53.7209 87.1091 -57.4749 87.1088 266.85 106.346 -57.4745 106.346 -131.933 GPRESSURE: 594400 149.746 -65.6876 -72.7625 29.7159 241.88 181.514 -49.247 71.1093 -137.392 PRESSAVG: 594400 64.6606 -6.01467 19.4012 -6.01457 -54.0319 -32.0321 19.4012 -32.032 1.56933 GPRESSAVG: 594400 66.7044 -7.10519 17.8229 -7.82978 -54.613 -30.1796 20.0738 -31.0387 0.564549 TIMING: 594400 CPU: 1870.89, 0.00311846/step Wall: 1870.89, 0.00311845/step, 3.8163 hours remaining, 232.742188 MB of memory in use. ENERGY: 594400 4059.0177 20419.3943 14474.7947 211.2397 -203727.3085 2891.5861 0.0000 0.0000 51919.1946 -109752.0815 298.3803 -161671.2761 -109390.0934 298.8689 62.8794 84.7445 760916.0575 4.0660 4.2186 PRESSURE: 594600 -10.3031 -49.0202 11.9665 -49.0203 -153.508 206.42 11.9661 206.42 380.012 GPRESSURE: 594600 -24.9426 29.5984 13.6561 -10.6134 33.997 222.72 -65.9475 219.666 288.289 PRESSAVG: 594600 35.4072 -5.07171 20.4252 -5.07173 -46.301 21.6228 20.4253 21.6228 20.0483 GPRESSAVG: 594600 33.7298 -6.18753 21.1737 -3.01908 -45.1066 20.9783 20.6259 19.7051 20.3891 TIMING: 594600 CPU: 1871.51, 0.00312816/step Wall: 1871.51, 0.00312816/step, 3.82799 hours remaining, 232.742188 MB of memory in use. ENERGY: 594600 3959.5911 20544.4974 14449.6872 254.0737 -203765.4593 2714.4279 0.0000 0.0000 52113.4451 -109729.7370 299.4967 -161843.1820 -109375.7124 298.8353 72.0670 99.1145 760532.1240 3.0515 3.0041 PRESSURE: 594800 26.218 -141.844 120.455 -141.843 -153.096 10.4752 120.456 10.4749 368.512 GPRESSURE: 594800 81.1913 -76.6348 56.6687 -249.955 -107.657 39.7566 231.732 22.5099 335.209 PRESSAVG: 594800 36.8814 -69.1382 14.9814 -69.1382 -24.8786 58.6033 14.9814 58.6032 -17.7259 GPRESSAVG: 594800 37.3632 -68.9223 16.4103 -68.1346 -25.6253 60.6963 12.9296 57.4614 -17.8241 TIMING: 594800 CPU: 1872.14, 0.00313804/step Wall: 1872.14, 0.00313804/step, 3.83991 hours remaining, 232.742188 MB of memory in use. ENERGY: 594800 3886.0562 20549.5209 14519.5946 273.5707 -203532.4629 2456.9527 0.0000 0.0000 51714.9612 -110131.8066 297.2066 -161846.7678 -109764.6703 298.5892 80.5448 102.9146 760816.9538 -1.9077 -2.0287 PRESSURE: 595000 -266.448 24.7757 190.184 24.7765 -344.974 140.139 190.185 140.139 201.686 GPRESSURE: 595000 -198.013 -39.1298 206.554 75.6828 -261.494 145.777 107.15 -23.3086 144.424 PRESSAVG: 595000 -1.66091 16.7589 -29.7293 16.7589 15.3541 -27.6787 -29.7293 -27.6786 9.07779 GPRESSAVG: 595000 -1.00726 17.1696 -30.7473 16.733 15.2363 -28.3817 -28.8201 -26.5452 8.43021 TIMING: 595000 CPU: 1872.76, 0.0031078/step Wall: 1872.76, 0.00310781/step, 3.80275 hours remaining, 232.742188 MB of memory in use. ENERGY: 595000 3924.3117 20535.5334 14402.6446 217.9882 -203710.2917 2542.3929 0.0000 0.0000 51819.7336 -110267.6873 297.8087 -162087.4209 -109906.8546 297.8921 -136.5784 -105.0276 761632.0754 7.5903 7.5531 PRESSURE: 595200 -60.5821 -299.15 -29.9048 -299.15 79.0725 -139.631 -29.9041 -139.631 -84.1446 GPRESSURE: 595200 -40.8259 -237.719 -87.9918 -128.48 166.071 -238.799 49.2171 -28.009 -128.866 PRESSAVG: 595200 13.7083 35.7273 6.96768 35.7273 4.68832 68.4439 6.9676 68.4439 -15.6452 GPRESSAVG: 595200 12.9389 36.3325 6.96214 35.4103 4.40862 65.8397 6.04345 70.8729 -15.3797 TIMING: 595200 CPU: 1873.39, 0.00311904/step Wall: 1873.39, 0.00311904/step, 3.81632 hours remaining, 232.742188 MB of memory in use. ENERGY: 595200 3909.5117 20460.9452 14383.9668 257.9739 -203870.1984 2586.9420 0.0000 0.0000 52196.4555 -110074.4033 299.9737 -162270.8588 -109710.4648 297.9330 -21.8847 -1.2070 761161.8197 0.9172 0.6560 PRESSURE: 595400 -41.7253 -78.812 -122.828 -78.8133 -191.938 -148.032 -122.827 -148.032 -139.701 GPRESSURE: 595400 -13.054 -112.934 -165.926 -94.8798 -105.924 -73.6995 -161.753 -60.1882 -170.866 PRESSAVG: 595400 -26.9417 -33.395 0.333497 -33.395 39.4378 26.5856 0.333517 26.5855 -8.12544 GPRESSAVG: 595400 -26.611 -32.3509 -0.275305 -33.2653 39.928 28.1499 4.25894 26.5222 -8.76329 TIMING: 595400 CPU: 1874.01, 0.00311064/step Wall: 1874.01, 0.00311064/step, 3.80587 hours remaining, 232.742188 MB of memory in use. ENERGY: 595400 3929.5997 20604.0736 14503.8592 234.5207 -203561.7964 2256.1348 0.0000 0.0000 52072.9670 -109960.6414 299.2641 -162033.6084 -109605.3200 298.6453 -124.4548 -96.6148 760592.2832 1.4569 1.5179 PRESSURE: 595600 326.78 -54.5752 50.0315 -54.5745 283.347 239.508 50.03 239.51 75.9918 GPRESSURE: 595600 450.321 -143.799 -47.5003 -49.4387 236.363 212.721 70.6398 51.4968 84.412 PRESSAVG: 595600 -14.3076 49.0664 -25.176 49.0664 28.5792 6.62721 -25.176 6.62733 3.85604 GPRESSAVG: 595600 -14.5932 46.9488 -24.7186 46.9612 28.616 5.51472 -26.5983 4.79256 4.3608 TIMING: 595600 CPU: 1874.64, 0.00314365/step Wall: 1874.64, 0.00314365/step, 3.84608 hours remaining, 232.742188 MB of memory in use. ENERGY: 595600 4056.0902 20460.1320 14452.3678 235.1798 -203934.3292 2729.4894 0.0000 0.0000 52074.4008 -109926.6691 299.2723 -162001.0699 -109563.5070 299.0177 228.7063 257.0319 759559.4683 6.0425 6.1279 PRESSURE: 595800 -148.903 -120.051 -48.3635 -120.051 -190.373 196.073 -48.3634 196.074 486.909 GPRESSURE: 595800 -156.117 -61.4801 -28.1065 -146.254 -40.25 258.255 -61.2124 182.438 428.304 PRESSAVG: 595800 -41.8107 -27.2366 33.9934 -27.2366 28.4373 -20.8418 33.9934 -20.8418 -6.52031 GPRESSAVG: 595800 -41.9987 -26.3804 33.332 -23.9753 28.195 -21.5598 34.2812 -20.8627 -5.90048 TIMING: 595800 CPU: 1875.26, 0.0031249/step Wall: 1875.26, 0.0031249/step, 3.82297 hours remaining, 232.742188 MB of memory in use. ENERGY: 595800 3961.7393 20620.3365 14415.2477 240.5999 -204184.6844 2960.2326 0.0000 0.0000 51964.6750 -110021.8533 298.6417 -161986.5284 -109658.1776 299.1166 49.2111 77.3124 759074.3488 -6.6312 -6.5681 PRESSURE: 596000 66.4334 39.108 -6.93913 39.1086 247.923 -47.0862 -6.9386 -47.0866 160.774 GPRESSURE: 596000 80.7405 98.7538 4.59659 -54.3234 276.066 -9.26757 93.59 -125.308 195.528 PRESSAVG: 596000 8.32954 7.07854 40.475 7.07849 10.0275 -5.8688 40.475 -5.86878 4.0855 GPRESSAVG: 596000 7.60335 4.85748 41.1534 6.05515 10.3471 -4.97836 39.1464 -4.93028 3.94159 TIMING: 596000 CPU: 1875.89, 0.00312858/step Wall: 1875.89, 0.00312858/step, 3.82729 hours remaining, 232.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 596000 3912.9510 20446.5957 14405.7401 244.2123 -203755.7260 2823.9748 0.0000 0.0000 52096.3035 -109825.9485 299.3982 -161922.2520 -109456.1593 298.6659 158.3768 184.1115 759410.3606 7.4809 7.2973 PRESSURE: 596200 226.858 -190.835 -194.15 -190.835 82.7767 -66.4748 -194.15 -66.4749 -28.8199 GPRESSURE: 596200 212.557 -288.91 -113.779 -221.568 160.436 -20.1331 -192.323 -65.2844 -12.7305 PRESSAVG: 596200 -13.9177 -32.2272 -12.3818 -32.2272 41.4069 -40.6433 -12.3818 -40.6432 6.21196 GPRESSAVG: 596200 -14.3354 -30.0558 -10.3013 -32.6265 41.9257 -41.0639 -13.7158 -40.2298 6.23717 TIMING: 596200 CPU: 1876.51, 0.00312233/step Wall: 1876.51, 0.00312233/step, 3.81948 hours remaining, 232.742188 MB of memory in use. ENERGY: 596200 3983.5987 20618.6239 14497.5921 239.3715 -203956.0046 2579.5583 0.0000 0.0000 52124.6792 -109912.5811 299.5612 -162037.2602 -109545.0765 298.9895 93.6050 120.0872 758935.3233 11.2337 11.2758 LDB: ============= START OF LOAD BALANCING ============== 1888.91 LDB: ============== END OF LOAD BALANCING =============== 1888.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1888.91 LDB: ============= START OF LOAD BALANCING ============== 1889.22 LDB: Largest compute 7068 load 0.030892 is 15.8% of average load 0.195736 LDB: Average compute 0.004377 is 2.2% of average load 0.195736 LDB: TIME 1889.22 LOAD: AVG 0.195736 MAX 0.214774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.539 MB LDB: TIME 1889.22 LOAD: AVG 0.195736 MAX 0.214774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.652 MB LDB: TIME 1889.22 LOAD: AVG 0.195736 MAX 0.214774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.652 MB LDB: ============== END OF LOAD BALANCING =============== 1889.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1889.23 PRESSURE: 596400 -127.271 -145.806 42.7148 -145.806 -210.975 -17.3005 42.7149 -17.3001 -486.215 GPRESSURE: 596400 -120.079 -109.16 85.9683 -138.689 -158.805 32.2284 -35.9771 -95.2563 -463.618 PRESSAVG: 596400 -35.2862 24.8989 19.4535 24.8988 41.8236 -10.6459 19.4534 -10.6459 18.9637 GPRESSAVG: 596400 -34.8792 23.7136 17.9758 24.2574 41.8858 -10.7888 20.5186 -11.0226 18.1466 TIMING: 596400 CPU: 1877.15, 0.0031754/step Wall: 1877.15, 0.0031754/step, 3.88422 hours remaining, 231.816406 MB of memory in use. ENERGY: 596400 3983.0762 20670.2999 14482.3024 233.5128 -204033.0108 2789.5662 0.0000 0.0000 52143.5910 -109730.6623 299.6699 -161874.2533 -109377.7077 298.9647 -274.8204 -247.5005 760829.0939 8.5004 8.3844 PRESSURE: 596600 -282.346 -42.6689 -270.559 -42.6682 -139.713 40.5882 -270.559 40.5888 -587.541 GPRESSURE: 596600 -226.876 -92.0674 -224.384 -148.668 -133.45 81.8211 -139.337 36.4151 -560.938 PRESSAVG: 596600 -4.45504 -54.2997 27.1027 -54.2997 -21.207 -21.4929 27.1027 -21.4929 -5.47397 GPRESSAVG: 596600 -4.02332 -52.3309 27.4404 -54.7249 -22.2906 -21.347 28.3669 -22.6117 -4.64253 TIMING: 596600 CPU: 1877.77, 0.00311846/step Wall: 1877.77, 0.00311846/step, 3.8144 hours remaining, 231.921875 MB of memory in use. ENERGY: 596600 4040.8603 20589.3130 14427.7688 260.4587 -203614.5693 2476.3146 0.0000 0.0000 51943.4149 -109876.4389 298.5195 -161819.8538 -109506.5178 299.0322 -336.5331 -307.0877 761688.3101 -10.3787 -10.3188 PRESSURE: 596800 -85.0124 114.324 -75.1323 114.324 285.681 -27.1338 -75.133 -27.1347 324.115 GPRESSURE: 596800 -2.62802 -104.68 -73.0367 12.7305 343.86 43.0521 -174.053 -11.778 270.888 PRESSAVG: 596800 0.334528 -14.2806 13.1059 -14.2805 -18.5236 10.9146 13.106 10.9146 1.21144 GPRESSAVG: 596800 0.377337 -16.2037 12.3264 -13.2344 -19.0484 10.8738 13.6951 11.902 1.60929 TIMING: 596800 CPU: 1878.4, 0.00313027/step Wall: 1878.4, 0.00313027/step, 3.82867 hours remaining, 232.125000 MB of memory in use. ENERGY: 596800 4084.7566 20492.1451 14391.8407 244.1197 -204440.6304 3127.1653 0.0000 0.0000 52086.7062 -110013.8968 299.3430 -162100.6030 -109645.1757 299.0173 174.9281 204.0400 761665.0567 -5.6592 -5.6873 PRESSURE: 597000 -259.923 -3.45745 24.7845 -3.45803 -273.086 262.434 24.7843 262.435 -49.4669 GPRESSURE: 597000 -243.158 3.1632 14.1223 -20.8179 -248.833 294.822 30.0651 90.8397 -13.48 PRESSAVG: 597000 -13.1032 -5.50716 9.76942 -5.50716 -18.3847 13.9991 9.7694 13.999 1.93545 GPRESSAVG: 597000 -13.2041 -3.12479 8.53317 -6.95494 -17.8425 15.447 10.3707 12.8963 1.37897 TIMING: 597000 CPU: 1879.03, 0.00316068/step Wall: 1879.03, 0.00316068/step, 3.86568 hours remaining, 232.125000 MB of memory in use. ENERGY: 597000 3991.7642 20448.0803 14474.9511 251.3515 -203870.6583 2861.8227 0.0000 0.0000 52021.7377 -109820.9507 298.9696 -161842.6885 -109473.5697 298.6496 -194.1585 -168.4903 761981.6028 -9.8508 -9.8892 PRESSURE: 597200 65.1582 -73.5378 -12.7674 -73.5376 -134.35 -168.639 -12.7677 -168.639 -196.359 GPRESSURE: 597200 39.1329 89.8486 91.279 -99.9483 -58.191 -137.369 -83.5235 -173.016 -177.02 PRESSAVG: 597200 8.28887 -17.1806 -18.4009 -17.1806 25.0858 61.8821 -18.4009 61.8821 2.22789 GPRESSAVG: 597200 8.66334 -17.826 -17.5325 -16.3964 24.7175 63.4631 -21.5016 61.4408 2.82378 TIMING: 597200 CPU: 1879.65, 0.00313395/step Wall: 1879.65, 0.00313395/step, 3.83282 hours remaining, 232.125000 MB of memory in use. ENERGY: 597200 4001.1795 20474.4546 14402.6356 243.6275 -203758.9690 2856.8493 0.0000 0.0000 51912.9447 -109867.2777 298.3444 -161780.2225 -109505.6776 299.0313 -88.5167 -65.3595 760952.8204 11.8675 12.0682 PRESSURE: 597400 -5.39995 -38.0355 133.614 -38.035 -89.309 32.6509 133.615 32.6515 -175.459 GPRESSURE: 597400 25.9588 -29.753 207.023 -14.6701 -88.8368 -27.4324 114.387 130.828 -114.936 PRESSAVG: 597400 -4.88132 -23.3521 -2.8228 -23.352 30.5473 10.9541 -2.82277 10.9542 6.78682 GPRESSAVG: 597400 -4.06336 -24.0375 -1.54781 -22.3282 30.253 9.3212 -3.19682 14.5403 6.39897 TIMING: 597400 CPU: 1880.28, 0.00312192/step Wall: 1880.28, 0.00312192/step, 3.81794 hours remaining, 232.125000 MB of memory in use. ENERGY: 597400 3979.5159 20471.5475 14425.1359 235.8992 -203429.0361 2496.0823 0.0000 0.0000 52063.3630 -109757.4923 299.2089 -161820.8553 -109391.2113 298.9506 -90.0561 -59.2714 762718.0529 10.8176 10.8629 PRESSURE: 597600 69.9381 -39.5483 4.98756 -39.5489 -237.212 -48.8335 4.98795 -48.834 -228.615 GPRESSURE: 597600 6.65375 66.033 102.395 -43.1868 -99.8521 -151.393 -21.0166 -67.3445 -221.459 PRESSAVG: 597600 -6.22132 -12.1641 40.8765 -12.1642 28.2557 -21.6918 40.8765 -21.6918 6.72464 GPRESSAVG: 597600 -6.8216 -13.4803 41.0493 -11.8653 29.7994 -23.2182 42.2333 -23.9993 6.10232 TIMING: 597600 CPU: 1880.91, 0.00314148/step Wall: 1880.91, 0.00314148/step, 3.84168 hours remaining, 232.125000 MB of memory in use. ENERGY: 597600 3980.1345 20655.9905 14398.6770 242.3858 -203266.4691 2450.3895 0.0000 0.0000 51859.9666 -109678.9251 298.0399 -161538.8917 -109316.7266 298.6152 -131.9627 -104.8857 762585.7138 9.5863 9.6934 PRESSURE: 597800 -284.569 53.5493 -104.123 53.5497 -293.963 8.84115 -104.124 8.84024 -97.9909 GPRESSURE: 597800 -212.365 119.719 -141.617 117.038 -294.349 30.6453 -83.5248 101.012 -82.7434 PRESSAVG: 597800 -65.3957 -14.3931 32.6953 -14.3931 23.8469 19.7984 32.6952 19.7984 -35.4814 GPRESSAVG: 597800 -64.6731 -13.0534 32.3213 -14.6513 23.5842 21.7732 31.4625 19.4511 -35.8788 TIMING: 597800 CPU: 1881.54, 0.00315167/step Wall: 1881.54, 0.00315166/step, 3.85396 hours remaining, 232.125000 MB of memory in use. ENERGY: 597800 4018.5074 20526.8567 14490.2103 250.4849 -203705.8917 2589.3885 0.0000 0.0000 52085.2578 -109745.1861 299.3347 -161830.4438 -109388.9554 298.5712 -225.5077 -196.4860 762549.4520 -25.6767 -25.6559 PRESSURE: 598000 -84.2783 -95.1681 -68.2638 -95.1675 33.5703 274.415 -68.2633 274.416 -315.687 GPRESSURE: 598000 -32.6369 -40.1968 8.90104 -131.882 -18.8448 235.231 23.464 226.368 -252.817 PRESSAVG: 598000 -3.03762 -11.2818 -0.725319 -11.2817 -29.4844 1.3791 -0.725364 1.37917 12.7035 GPRESSAVG: 598000 -2.30367 -13.397 -0.497252 -10.7336 -31.8489 -0.102883 0.79706 2.02624 14.7528 TIMING: 598000 CPU: 1882.16, 0.00312681/step Wall: 1882.16, 0.00312681/step, 3.82339 hours remaining, 232.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 598000 4067.9224 20564.0684 14455.9114 237.1815 -203768.1355 2704.3305 0.0000 0.0000 51909.5817 -109829.1395 298.3251 -161738.7212 -109477.0736 298.7718 -122.1317 -101.4328 762560.6170 -6.6062 -6.4666 PRESSURE: 598200 442.087 150.511 163.292 150.511 264.433 81.9853 163.291 81.9863 346.139 GPRESSURE: 598200 519.817 157.959 154.366 126.515 304.325 38.7239 198.776 43.7868 299.213 PRESSAVG: 598200 16.7055 -7.91072 -4.78687 -7.91069 10.4173 20.8948 -4.78689 20.8949 23.396 GPRESSAVG: 598200 16.1552 -5.31313 -5.35745 -8.06212 11.5377 21.1847 -5.98607 21.8612 22.5663 TIMING: 598200 CPU: 1882.79, 0.00315352/step Wall: 1882.79, 0.00315352/step, 3.85588 hours remaining, 232.125000 MB of memory in use. ENERGY: 598200 4028.9355 20561.2923 14452.0647 266.2122 -204067.2413 3124.3916 0.0000 0.0000 51836.0948 -109798.2502 297.9027 -161634.3450 -109443.1921 298.9205 350.8863 374.4519 761339.1315 16.8396 16.7531 PRESSURE: 598400 -260.868 61.7779 -57.6845 61.7773 -450.142 60.026 -57.6836 60.0251 -142.163 GPRESSURE: 598400 -166.618 -11.9653 -42.3938 -24.8312 -427.257 79.1847 -11.7365 52.2271 -169.444 PRESSAVG: 598400 28.3819 -75.1928 26.3175 -75.1929 18.0102 7.04524 26.3175 7.0452 2.2637 GPRESSAVG: 598400 30.0915 -76.3068 27.0641 -76.8094 16.2853 7.15648 27.3017 7.32855 2.04014 TIMING: 598400 CPU: 1883.42, 0.00312556/step Wall: 1883.42, 0.00312556/step, 3.82152 hours remaining, 232.125000 MB of memory in use. ENERGY: 598400 3989.9815 20529.7184 14507.5464 244.1542 -203562.9011 2374.0144 0.0000 0.0000 52304.7605 -109612.7255 300.5962 -161917.4860 -109241.7222 299.2838 -284.3912 -254.4397 761649.4297 16.2186 16.1390 PRESSURE: 598600 232.823 -209.881 114.027 -209.881 104.374 120.422 114.027 120.422 322.987 GPRESSURE: 598600 282.078 -102.888 74.4032 -70.595 76.8589 56.6487 33.7263 -15.349 398.024 PRESSAVG: 598600 73.7159 -74.3064 23.5987 -74.3064 -48.2171 -21.9062 23.5986 -21.9064 3.96869 GPRESSAVG: 598600 73.0774 -76.4781 22.7501 -73.574 -48.1044 -22.0585 22.1571 -23.8296 4.63903 TIMING: 598600 CPU: 1884.04, 0.00311593/step Wall: 1884.04, 0.00311593/step, 3.80957 hours remaining, 232.125000 MB of memory in use. ENERGY: 598600 3999.7354 20541.8180 14504.1217 239.3665 -203727.7513 2976.6727 0.0000 0.0000 51894.8772 -109571.1597 298.2406 -161466.0369 -109201.9734 299.3514 220.0616 252.3202 762829.0372 9.8225 9.8707 PRESSURE: 598800 -231.58 -171.181 -131.946 -171.18 107.672 82.4829 -131.946 82.4839 -182.644 GPRESSURE: 598800 -201.269 -126.406 -94.977 -191.864 163.521 150.369 -183.074 96.4923 -178.995 PRESSAVG: 598800 -26.2109 -46.2904 -0.676531 -46.2904 26.1231 -13.2411 -0.676554 -13.241 -2.72459 GPRESSAVG: 598800 -27.8939 -42.7009 -1.46958 -46.1615 27.4439 -13.62 0.374011 -11.026 -2.58724 TIMING: 598800 CPU: 1884.67, 0.00315762/step Wall: 1884.67, 0.00315762/step, 3.86037 hours remaining, 232.125000 MB of memory in use. ENERGY: 598800 3976.1212 20553.9996 14456.2444 231.0080 -203585.0583 2321.1545 0.0000 0.0000 52514.3822 -109532.1484 301.8009 -162046.5307 -109165.0496 299.3442 -102.1839 -72.2477 762281.5408 -0.9375 -1.0124 PRESSURE: 599000 -170.837 -55.8601 -104.139 -55.8605 -195.188 -76.1127 -104.139 -76.112 201.807 GPRESSURE: 599000 -140.372 -100.948 -60.3256 -99.7923 -123.667 44.5369 -75.7526 -47.0567 198.568 PRESSAVG: 599000 -34.5635 -31.9802 39.4162 -31.9802 16.2669 38.3641 39.4161 38.3641 -13.2016 GPRESSAVG: 599000 -34.9653 -35.755 40.3133 -31.0569 17.1874 40.005 40.1589 36.5364 -13.1297 TIMING: 599000 CPU: 1885.3, 0.00313716/step Wall: 1885.3, 0.00313716/step, 3.83517 hours remaining, 232.125000 MB of memory in use. ENERGY: 599000 4060.6742 20565.9532 14448.3892 268.5983 -203609.2603 2734.5109 0.0000 0.0000 52082.5814 -109448.5531 299.3193 -161531.1345 -109092.7558 299.5479 -54.7395 -21.8236 762958.6898 -10.4994 -10.3025 PRESSURE: 599200 -575.323 -7.52872 60.9811 -7.52802 -168.34 123.834 60.981 123.832 -381.898 GPRESSURE: 599200 -534.208 58.5767 84.043 36.9444 -204.964 218.167 15.8538 248.82 -301.33 PRESSAVG: 599200 39.2132 -32.7536 -12.4974 -32.7536 26.75 29.2506 -12.4974 29.2506 -11.8573 GPRESSAVG: 599200 40.6403 -30.2116 -11.7197 -34.0998 25.2115 26.7773 -12.3461 29.8294 -12.0035 TIMING: 599200 CPU: 1885.93, 0.00313561/step Wall: 1885.93, 0.00313561/step, 3.83311 hours remaining, 232.125000 MB of memory in use. ENERGY: 599200 4094.5507 20486.0823 14475.5086 247.5592 -203496.1770 2407.1897 0.0000 0.0000 52179.2472 -109606.0393 299.8749 -161785.2865 -109246.7160 299.4149 -375.1871 -346.8342 762335.1107 18.0353 17.9494 PRESSURE: 599400 -102.735 -77.6688 -17.9594 -77.669 -31.5282 46.5805 -17.9594 46.5801 -235.256 GPRESSURE: 599400 -217.474 -167.625 -29.4234 -55.094 159.424 12.6479 28.525 74.1287 -216.732 PRESSAVG: 599400 -47.365 -48.5126 -32.9915 -48.5126 14.147 0.350199 -32.9915 0.350116 3.88935 GPRESSAVG: 599400 -47.9336 -49.5252 -34.9787 -47.0084 14.8513 1.22598 -31.9607 0.263339 3.41988 TIMING: 599400 CPU: 1886.56, 0.00313851/step Wall: 1886.56, 0.00313851/step, 3.83648 hours remaining, 232.125000 MB of memory in use. ENERGY: 599400 4050.5653 20496.0604 14516.5986 257.0029 -203411.3273 2551.1176 0.0000 0.0000 52024.9329 -109515.0496 298.9880 -161539.9824 -109147.0658 299.5251 -123.1730 -91.5939 761649.2501 -9.7762 -9.8875 PRESSURE: 599600 -169.895 69.7049 -205.8 69.7042 294.585 -154.816 -205.799 -154.816 62.5511 GPRESSURE: 599600 -111.577 59.4611 -192.33 -44.9743 285.294 -177.845 -80.6762 -154.422 113.528 PRESSAVG: 599600 2.4211 -54.749 17.8095 -54.749 23.1037 -16.8264 17.8095 -16.8265 -9.66548 GPRESSAVG: 599600 2.13852 -53.6765 17.8678 -57.75 23.0415 -17.2664 16.4832 -14.2718 -9.82931 TIMING: 599600 CPU: 1887.18, 0.00313437/step Wall: 1887.18, 0.00313437/step, 3.83125 hours remaining, 232.125000 MB of memory in use. ENERGY: 599600 4056.1814 20495.6550 14416.3594 237.9311 -203810.2338 2802.9475 0.0000 0.0000 52002.2764 -109798.8830 298.8578 -161801.1593 -109446.7287 299.3089 62.4138 95.7483 759962.7918 5.2864 5.1169 PRESSURE: 599800 -281.949 -162.112 133.39 -162.112 -42.5561 -229.388 133.39 -229.388 -54.9518 GPRESSURE: 599800 -202.392 -163.931 200.271 -31.3997 -39.9378 -217.285 199.113 -270.769 -56.4114 PRESSAVG: 599800 -0.443042 -54.855 -11.2268 -54.855 32.4205 8.51587 -11.2268 8.51585 10.059 GPRESSAVG: 599800 -1.13504 -57.1156 -10.6086 -54.0295 32.8267 10.6771 -9.40929 5.75768 10.16 TIMING: 599800 CPU: 1887.8, 0.00310999/step Wall: 1887.8, 0.00310999/step, 3.80127 hours remaining, 232.125000 MB of memory in use. ENERGY: 599800 3982.3326 20533.3841 14351.7928 241.4452 -203744.9376 2843.4312 0.0000 0.0000 51961.6791 -109830.8727 298.6245 -161792.5518 -109463.8436 298.9217 -126.4857 -99.5805 762322.6881 14.0122 13.9506 PRESSURE: 600000 182.208 -220.69 -205.988 -220.69 -114.811 73.6897 -205.989 73.6893 160.355 GPRESSURE: 600000 171.501 -168.655 -174.705 -227.59 -109.374 81.6721 -267.822 37.5199 236.414 PRESSAVG: 600000 -36.9799 -36.0888 -7.24607 -36.0888 7.73678 57.7663 -7.24604 57.7662 9.96302 GPRESSAVG: 600000 -36.6941 -35.1544 -6.38352 -36.9474 6.80315 55.4681 -10.5152 57.4082 10.8772 TIMING: 600000 CPU: 1888.43, 0.00314255/step Wall: 1888.43, 0.00314255/step, 3.84089 hours remaining, 232.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 600000 4017.5561 20519.4794 14440.2096 248.7078 -203824.6737 2819.7140 0.0000 0.0000 52146.7099 -109632.2969 299.6879 -161779.0068 -109269.6832 298.4847 75.9173 99.5139 761585.9803 -6.4267 -6.3379 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.014 seconds, 232.125 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -12.1494 -199.257 39.18 -199.258 -26.0455 -203.095 39.1806 -203.095 240.509 GPRESSURE: 600200 -68.0207 -159.256 112.903 -154.401 24.9734 -235.999 106.491 -87.7958 327.571 PRESSAVG: 600200 -35.1791 -15.1681 -2.55233 -15.168 27.2329 -14.6857 -2.55225 -14.6857 -0.0482185 GPRESSAVG: 600200 -34.6864 -13.1262 -4.46614 -14.6735 27.2953 -15.1495 1.73019 -13.9816 -0.544121 TIMING: 600200 CPU: 1889.08, 0.00324824/step Wall: 1889.08, 0.00324824/step, 3.96989 hours remaining, 232.125000 MB of memory in use. ENERGY: 600200 3939.4028 20777.5396 14399.1365 252.7629 -203816.5144 2920.7782 0.0000 0.0000 51973.1805 -109553.7140 298.6906 -161526.8945 -109197.9856 299.0010 67.4379 94.8412 762395.2058 -2.6648 -2.6451 LDB: ============= START OF LOAD BALANCING ============== 1901.48 LDB: ============== END OF LOAD BALANCING =============== 1901.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1901.48 LDB: ============= START OF LOAD BALANCING ============== 1901.79 LDB: Largest compute 7044 load 0.029739 is 15.2% of average load 0.195785 LDB: Average compute 0.004378 is 2.2% of average load 0.195785 LDB: TIME 1901.8 LOAD: AVG 0.195785 MAX 0.215532 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.367 MB LDB: TIME 1901.8 LOAD: AVG 0.195785 MAX 0.215532 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.371 MB LDB: TIME 1901.8 LOAD: AVG 0.195785 MAX 0.215532 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.371 MB LDB: ============== END OF LOAD BALANCING =============== 1901.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1901.8 PRESSURE: 600400 -341.2 153.436 -71.1847 153.436 -252.252 -7.42378 -71.1847 -7.42381 -90.1639 GPRESSURE: 600400 -289.511 102.939 -13.2347 160.203 -239.095 3.11117 -133.089 -62.1661 -68.1569 PRESSAVG: 600400 45.3044 8.77231 -56.9845 8.77233 -21.2423 1.43948 -56.9844 1.43949 -3.17825 GPRESSAVG: 600400 44.5131 6.43013 -54.4425 9.60051 -20.704 2.17064 -61.3517 1.0596 -2.57717 TIMING: 600400 CPU: 1889.72, 0.00319022/step Wall: 1889.72, 0.00319022/step, 3.8988 hours remaining, 233.296875 MB of memory in use. ENERGY: 600400 4107.2854 20548.2037 14498.2012 252.5496 -203174.0798 2461.8531 0.0000 0.0000 51819.6033 -109486.3836 297.8080 -161305.9869 -109131.8128 299.1838 -227.8721 -198.9208 763164.3456 6.9613 7.0773 PRESSURE: 600600 -170.032 -1.54665 46.4517 -1.54725 -23.8299 -112.107 46.4511 -112.107 217.346 GPRESSURE: 600600 -55.6342 -43.6104 107.811 -45.2763 36.2286 -140.565 45.0055 -182.446 114.98 PRESSAVG: 600600 20.3883 42.7606 -48.5862 42.7606 -77.8966 68.8298 -48.5862 68.8298 -4.42814 GPRESSAVG: 600600 20.5872 43.7064 -50.0312 42.1685 -76.6354 68.768 -46.3958 68.6422 -6.05309 TIMING: 600600 CPU: 1890.35, 0.00312498/step Wall: 1890.35, 0.00312498/step, 3.8189 hours remaining, 233.500000 MB of memory in use. ENERGY: 600600 3957.3362 20450.3485 14490.2030 243.5852 -203375.0338 2672.4462 0.0000 0.0000 52055.9366 -109505.1782 299.1662 -161561.1148 -109139.6104 299.0442 7.8281 31.8583 763259.1788 -20.6455 -20.7004 PRESSURE: 600800 54.6538 355.612 -49.1156 355.612 16.7119 134.87 -49.1154 134.871 -262.706 GPRESSURE: 600800 119.982 226.617 -70.868 229.257 48.3143 92.517 -23.4547 145.464 -286.625 PRESSAVG: 600800 -3.44859 1.80355 -31.1545 1.80357 0.752856 41.0335 -31.1544 41.0335 8.82207 GPRESSAVG: 600800 -2.086 0.647577 -31.361 2.65151 -0.027896 40.9751 -30.0163 43.0895 8.17539 TIMING: 600800 CPU: 1890.98, 0.0031591/step Wall: 1890.98, 0.0031591/step, 3.86042 hours remaining, 233.500000 MB of memory in use. ENERGY: 600800 3945.0345 20434.4272 14539.5712 238.9515 -203628.8357 2782.2064 0.0000 0.0000 52172.7142 -109515.9308 299.8373 -161688.6449 -109143.7189 298.8761 -63.7801 -39.4428 762789.0317 2.0421 2.0205 PRESSURE: 601000 -340.545 -58.7006 130.487 -58.7006 -340.615 84.9014 130.488 84.9009 -326.061 GPRESSURE: 601000 -315.463 -8.64514 177.699 -49.1166 -262.076 100.344 55.96 26.8135 -323.949 PRESSAVG: 601000 35.6782 53.6516 5.51747 53.6516 -44.4209 47.9799 5.51741 47.98 9.41913 GPRESSAVG: 601000 33.5349 54.3417 6.86443 54.1363 -44.3451 48.2534 2.77823 47.1963 11.3493 TIMING: 601000 CPU: 1891.6, 0.00312791/step Wall: 1891.6, 0.00312791/step, 3.82213 hours remaining, 233.500000 MB of memory in use. ENERGY: 601000 4038.7814 20466.2530 14418.4977 269.3405 -202970.2880 2378.4606 0.0000 0.0000 52097.1323 -109301.8225 299.4029 -161398.9548 -108935.2867 299.9924 -335.7400 -300.4961 760900.2780 0.2255 0.1797 PRESSURE: 601200 93.6589 -363.996 235.733 -363.996 425.294 -103.508 235.733 -103.508 340.709 GPRESSURE: 601200 252.174 -396.475 238.522 -247.807 357.086 -46.6383 200.043 -32.2226 345.051 PRESSAVG: 601200 15.2708 11.7172 -9.47345 11.7172 -21.0858 52.8115 -9.47349 52.8115 11.7981 GPRESSAVG: 601200 16.3494 11.1503 -9.93342 11.1934 -20.9955 52.341 -8.2201 50.8802 10.627 TIMING: 601200 CPU: 1892.23, 0.00312322/step Wall: 1892.23, 0.00312322/step, 3.81623 hours remaining, 233.500000 MB of memory in use. ENERGY: 601200 3997.6820 20618.3860 14379.0328 247.8299 -203771.2992 3050.7711 0.0000 0.0000 52224.7380 -109252.8593 300.1363 -161477.5973 -108888.1949 299.7564 286.5539 318.1038 762445.9759 1.9944 1.9936 PRESSURE: 601400 -6.4967 -95.2047 12.644 -95.2045 -463.848 1.45101 12.6425 1.45131 -225.34 GPRESSURE: 601400 -4.76537 -69.7612 -0.50876 1.37311 -437.422 17.4596 29.872 72.0352 -170.546 PRESSAVG: 601400 -51.3898 -9.79552 -25.1087 -9.79557 50.625 -9.24755 -25.1087 -9.24756 -0.172379 GPRESSAVG: 601400 -53.2017 -11.1434 -27.3275 -8.1541 52.2742 -8.9288 -24.8184 -8.08275 -0.0524705 TIMING: 601400 CPU: 1892.86, 0.00314576/step Wall: 1892.86, 0.00314576/step, 3.84359 hours remaining, 233.500000 MB of memory in use. ENERGY: 601400 4013.3160 20574.3394 14439.4193 243.4792 -203122.0041 2308.1140 0.0000 0.0000 52360.3420 -109182.9942 300.9156 -161543.3363 -108813.9209 299.9719 -231.8948 -204.2446 762194.1686 -0.3124 -0.3267 PRESSURE: 601600 -327.944 -214.76 -61.7204 -214.759 166.265 19.6039 -61.7207 19.6051 -41.3608 GPRESSURE: 601600 -225.938 -247.754 -155.87 -162.677 187.834 -71.2704 -130.133 -59.9957 -90.482 PRESSAVG: 601600 -24.2885 -11.2882 -2.63676 -11.2882 74.0901 -11.6726 -2.63677 -11.6727 22.8493 GPRESSAVG: 601600 -21.7568 -7.89173 -2.19788 -12.3578 71.9315 -11.9495 -1.81207 -10.0984 22.2904 TIMING: 601600 CPU: 1893.49, 0.00314229/step Wall: 1893.49, 0.00314229/step, 3.83918 hours remaining, 233.500000 MB of memory in use. ENERGY: 601600 4071.2856 20618.9914 14488.2097 249.2070 -203705.0585 2830.9231 0.0000 0.0000 52299.7205 -109146.7212 300.5672 -161446.4417 -108784.2832 300.6105 -67.6802 -42.8621 762911.2597 24.2170 24.1550 PRESSURE: 601800 -91.5874 -237.695 135.294 -237.695 3.7215 -33.8768 135.293 -33.876 -56.0323 GPRESSURE: 601800 62.1838 -338.171 113.72 -205.987 36.2898 -120.628 111.413 -141.596 -158.524 PRESSAVG: 601800 -2.28394 -47.608 -1.78608 -47.6081 -1.60431 20.9875 -1.78611 20.9875 14.1349 GPRESSAVG: 601800 -2.96824 -48.1161 -1.53726 -48.1444 -1.31564 21.0312 -3.73726 19.2582 14.2989 TIMING: 601800 CPU: 1894.11, 0.00312467/step Wall: 1894.11, 0.00312467/step, 3.81748 hours remaining, 233.500000 MB of memory in use. ENERGY: 601800 4101.8862 20402.9868 14476.2378 225.0779 -203159.7477 2549.3283 0.0000 0.0000 52041.3259 -109362.9048 299.0822 -161404.2307 -108992.9942 300.2406 -47.9660 -20.0170 761762.1666 3.4155 3.3383 PRESSURE: 602000 -121.117 -65.0525 7.87089 -65.053 124.443 -6.97931 7.87198 -6.97885 122.291 GPRESSURE: 602000 -97.2687 63.9047 -4.52559 62.5749 171.115 39.7587 -96.5351 -86.1472 160.726 PRESSAVG: 602000 -31.7202 -60.4484 29.6126 -60.4485 25.5283 26.1764 29.6126 26.1764 -0.381537 GPRESSAVG: 602000 -31.5744 -61.717 29.8438 -59.2218 25.8243 26.825 31.1297 24.3164 -0.681512 TIMING: 602000 CPU: 1894.73, 0.00310977/step Wall: 1894.73, 0.00310977/step, 3.7991 hours remaining, 233.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 602000 3974.7881 20586.6792 14462.2630 266.1021 -203665.9310 2747.8370 0.0000 0.0000 52300.6779 -109327.5836 300.5727 -161628.2616 -108959.7224 299.8019 41.8723 78.1908 760015.6963 -2.1911 -2.1439 PRESSURE: 602200 -32.6879 -112.972 36.4833 -112.972 -179.959 -197.033 36.4821 -197.033 112.802 GPRESSURE: 602200 89.3249 -189.952 13.5465 -84.3491 -223.668 -206.664 -44.062 -72.8523 118.266 PRESSAVG: 602200 -18.1565 11.8992 20.0578 11.8992 9.91577 9.14364 20.0578 9.14353 -1.93859 GPRESSAVG: 602200 -17.1252 12.9289 18.7197 13.8312 8.70621 8.78067 20.7262 11.9071 -1.16003 TIMING: 602200 CPU: 1895.36, 0.00312092/step Wall: 1895.36, 0.00312092/step, 3.81255 hours remaining, 233.500000 MB of memory in use. ENERGY: 602200 4009.4996 20591.1132 14469.5420 256.7670 -203170.6154 2322.9587 0.0000 0.0000 52161.8140 -109358.9209 299.7747 -161520.7350 -108991.2443 300.0958 -33.2816 -5.3591 762212.4202 -3.3931 -3.1930 PRESSURE: 602400 -89.2938 -55.5157 -33.0202 -55.5156 -109.466 -395.34 -33.0206 -395.34 -357.052 GPRESSURE: 602400 -52.6556 4.48267 -66.0975 20.0996 -118.007 -360.174 -10.2928 -259.024 -308.967 PRESSAVG: 602400 -9.02534 -28.248 31.1883 -28.248 4.44776 49.1205 31.1883 49.1205 -5.82064 GPRESSAVG: 602400 -9.9445 -28.139 33.0544 -27.4712 6.0761 49.9883 30.0101 47.9486 -6.27026 TIMING: 602400 CPU: 1895.98, 0.00312104/step Wall: 1895.98, 0.00312104/step, 3.81253 hours remaining, 233.500000 MB of memory in use. ENERGY: 602400 4032.9377 20572.9581 14494.4920 243.2709 -202838.7756 1937.7663 0.0000 0.0000 52152.0115 -109405.3391 299.7183 -161557.3506 -109042.4576 299.8461 -185.2704 -159.8765 762378.3651 -3.4661 -3.3796 PRESSURE: 602600 -171.761 -58.7727 36.312 -58.7726 -194.196 -47.9573 36.3118 -47.9564 -30.1942 GPRESSURE: 602600 -111.658 -113.918 18.9413 -44.9538 -127.421 -18.8604 122.058 -169.773 -69.2948 PRESSAVG: 602600 25.1741 -9.13622 4.42621 -9.1363 2.34036 -27.4731 4.42627 -27.473 8.60261 GPRESSAVG: 602600 24.4346 -9.03031 3.14758 -11.2791 2.29013 -26.8457 3.49694 -28.5814 9.32743 TIMING: 602600 CPU: 1896.61, 0.00314332/step Wall: 1896.61, 0.00314332/step, 3.83957 hours remaining, 233.500000 MB of memory in use. ENERGY: 602600 3960.4574 20581.4274 14533.6865 232.5395 -203097.7732 2439.6794 0.0000 0.0000 51946.3442 -109403.6387 298.5364 -161349.9830 -109035.5627 299.6508 -132.0506 -102.7912 762479.9520 12.0390 12.0174 PRESSURE: 602800 289.032 -50.1531 -120.965 -50.1537 507.565 -77.4464 -120.965 -77.4458 64.9766 GPRESSURE: 602800 368.163 11.7159 15.8905 -50.6173 412.176 -36.5093 -185.564 -49.6718 152.348 PRESSAVG: 602800 -56.3766 12.6853 31.665 12.6853 19.2733 22.0445 31.665 22.0446 18.0232 GPRESSAVG: 602800 -54.5385 11.1733 33.551 12.2718 18.5399 21.1456 30.8277 22.7797 17.599 TIMING: 602800 CPU: 1897.24, 0.00314881/step Wall: 1897.24, 0.00314881/step, 3.8461 hours remaining, 233.500000 MB of memory in use. ENERGY: 602800 4058.8106 20534.5763 14531.4426 244.0560 -203531.2990 2853.2321 0.0000 0.0000 52278.3754 -109030.8061 300.4445 -161309.1815 -108667.1209 299.4980 287.1914 310.8958 760837.0371 -6.3600 -6.1332 PRESSURE: 603000 78.034 192.894 -100.385 192.894 -251.388 31.3929 -100.385 31.3935 -153.727 GPRESSURE: 603000 104.88 2.13666 -161.615 188.3 -174 17.881 -118.145 45.4259 -195.359 PRESSAVG: 603000 -46.8217 -22.3204 0.746606 -22.3204 71.7376 11.4631 0.746601 11.4631 -12.0614 GPRESSAVG: 603000 -47.274 -22.1026 0.262049 -22.5573 72.612 11.3528 1.8136 11.8401 -12.614 TIMING: 603000 CPU: 1897.86, 0.0031048/step Wall: 1897.86, 0.0031048/step, 3.79217 hours remaining, 233.500000 MB of memory in use. ENERGY: 603000 3966.7528 20763.8994 14457.1621 250.4920 -203080.9072 2481.1590 0.0000 0.0000 52121.3856 -109040.0563 299.5423 -161161.4419 -108685.0357 300.0615 -109.0270 -88.1593 762434.1125 4.2848 4.2413 PRESSURE: 603200 84.7999 -150.241 -113.157 -150.241 306.007 -157.008 -113.157 -157.007 14.1948 GPRESSURE: 603200 192.791 -220.621 -64.0367 -55.8636 313.898 -176.766 -26.5829 -154.33 -16.6492 PRESSAVG: 603200 -44.8985 -21.9543 5.81848 -21.9543 48.5469 -31.3185 5.81846 -31.3186 9.44355 GPRESSAVG: 603200 -45.4723 -21.6275 5.89895 -21.4603 48.5739 -32.3661 6.86227 -30.1145 10.7079 TIMING: 603200 CPU: 1898.49, 0.00312933/step Wall: 1898.49, 0.00312933/step, 3.82196 hours remaining, 233.500000 MB of memory in use. ENERGY: 603200 4052.5659 20543.8237 14426.9893 245.7201 -203570.2947 2813.6225 0.0000 0.0000 52356.2789 -109131.2944 300.8923 -161487.5733 -108760.1424 300.3379 135.0006 163.3468 763070.2394 4.3640 4.6032 PRESSURE: 603400 -402.301 -87.3999 57.0891 -87.4002 -77.4472 -60.1768 57.0898 -60.1775 -142.266 GPRESSURE: 603400 -247.041 -84.6105 76.2617 -118.697 -139.256 -94.214 -28.8636 64.3592 -165.693 PRESSAVG: 603400 -28.3939 1.71306 -24.3202 1.71302 36.6741 -7.83228 -24.3202 -7.83245 2.28703 GPRESSAVG: 603400 -27.3038 3.28731 -23.5604 0.189509 36.196 -6.3997 -26.5779 -7.91136 1.71766 TIMING: 603400 CPU: 1899.12, 0.00315637/step Wall: 1899.12, 0.00315637/step, 3.85481 hours remaining, 233.500000 MB of memory in use. ENERGY: 603400 4030.5117 20636.0201 14507.3856 251.1374 -203130.0336 2459.7711 0.0000 0.0000 52205.3187 -109039.8889 300.0247 -161245.2076 -108673.4729 300.3768 -207.3379 -183.9971 764205.9035 3.5224 3.5366 PRESSURE: 603600 88.6449 -108.108 77.9031 -108.109 100.074 275.827 77.9027 275.828 3.90465 GPRESSURE: 603600 115.835 -136.574 131.343 -85.2236 150.378 183.482 124.537 266.635 -7.40081 PRESSAVG: 603600 -7.36375 -15.0449 34.324 -15.045 35.9193 36.4888 34.3241 36.4888 25.3271 GPRESSAVG: 603600 -9.44286 -16.0757 32.833 -14.6822 37.3447 35.9245 36.5343 36.3028 25.7653 TIMING: 603600 CPU: 1899.74, 0.00312732/step Wall: 1899.74, 0.00312732/step, 3.81915 hours remaining, 233.500000 MB of memory in use. ENERGY: 603600 4036.6162 20809.1001 14404.3704 241.2719 -203425.1934 2461.3459 0.0000 0.0000 52382.3462 -109090.1427 301.0421 -161472.4889 -108729.2239 300.6106 64.2078 86.2708 762152.9962 17.9609 17.8891 PRESSURE: 603800 115.793 -150.943 -80.346 -150.943 45.4747 148.276 -80.3471 148.275 -151.89 GPRESSURE: 603800 215.89 -35.6579 -133.177 -159.879 12.3675 25.4424 -8.75047 184.912 -106.789 PRESSAVG: 603800 -35.9312 -35.5536 -36.1463 -35.5535 19.5074 -22.6225 -36.1464 -22.6226 -8.25285 GPRESSAVG: 603800 -34.2495 -35.5312 -36.4116 -35.1538 18.8444 -22.6465 -34.8126 -23.5271 -9.2344 TIMING: 603800 CPU: 1900.37, 0.00312235/step Wall: 1900.37, 0.00312235/step, 3.81291 hours remaining, 233.500000 MB of memory in use. ENERGY: 603800 4036.5035 20449.0885 14511.0247 248.1719 -203833.8178 3091.8250 0.0000 0.0000 52362.9776 -109134.2266 300.9308 -161497.2041 -108757.5281 300.1799 3.1258 40.4894 762524.2268 -8.2255 -8.2132 PRESSURE: 604000 -269.895 -85.8089 439.084 -85.8093 217.687 115.607 439.084 115.607 57.915 GPRESSURE: 604000 -206.01 8.04792 375.404 43.2728 240.595 154.714 305.902 120.149 39.3586 PRESSAVG: 604000 -17.606 -43.0481 25.4968 -43.0481 68.4127 -17.1269 25.4967 -17.1268 9.26376 GPRESSAVG: 604000 -17.6993 -44.0276 27.0901 -42.6623 67.6746 -16.8451 22.3824 -17.5178 9.76297 TIMING: 604000 CPU: 1900.99, 0.00313404/step Wall: 1900.99, 0.00313404/step, 3.82702 hours remaining, 233.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 604000 4032.7797 20711.6125 14442.8091 238.7404 -203300.6671 2629.3458 0.0000 0.0000 52050.6647 -109194.7148 299.1359 -161245.3795 -108828.7932 300.2414 1.9024 24.6479 762331.7563 20.0235 19.9128 PRESSURE: 604200 -3.30971 -45.3663 151.197 -45.366 14.0348 -136.995 151.196 -136.995 -129.295 GPRESSURE: 604200 10.9275 -170.3 83.3519 -124.07 78.6432 -190.612 290.639 -112.262 -123.586 PRESSAVG: 604200 18.7429 -41.4691 3.28911 -41.4691 19.9106 -22.5316 3.28912 -22.5317 10.1488 GPRESSAVG: 604200 19.4284 -39.3819 2.52082 -43.5199 19.171 -23.541 5.29162 -21.9942 10.8188 TIMING: 604200 CPU: 1901.62, 0.00313273/step Wall: 1901.62, 0.00313273/step, 3.82524 hours remaining, 233.500000 MB of memory in use. ENERGY: 604200 4003.8919 20673.1199 14499.8012 241.5624 -203417.7018 2506.9076 0.0000 0.0000 52218.6585 -109273.7604 300.1013 -161492.4188 -108915.1834 300.2163 -39.5234 -11.3385 760669.1272 16.2674 16.4727 LDB: ============= START OF LOAD BALANCING ============== 1914.02 LDB: ============== END OF LOAD BALANCING =============== 1914.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1914.02 LDB: ============= START OF LOAD BALANCING ============== 1914.34 LDB: Largest compute 7078 load 0.029261 is 14.9% of average load 0.195777 LDB: Average compute 0.004372 is 2.2% of average load 0.195777 LDB: TIME 1914.34 LOAD: AVG 0.195777 MAX 0.21863 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.898 MB LDB: TIME 1914.34 LOAD: AVG 0.195777 MAX 0.21863 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.898 MB LDB: TIME 1914.34 LOAD: AVG 0.195777 MAX 0.218283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.898 MB LDB: ============== END OF LOAD BALANCING =============== 1914.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1914.35 PRESSURE: 604400 -18.0582 162.05 -234.29 162.051 -153.284 79.1225 -234.29 79.1214 126.789 GPRESSURE: 604400 -2.71841 173.096 -243.337 1.34311 -132.847 57.1175 -94.9646 3.46923 192.122 PRESSAVG: 604400 -31.8665 -15.3152 13.6223 -15.3151 77.9934 -28.5281 13.6223 -28.5281 22.8682 GPRESSAVG: 604400 -31.8983 -15.4586 12.2931 -15.1424 79.2368 -27.221 15.2185 -28.8332 21.976 TIMING: 604400 CPU: 1902.26, 0.00321463/step Wall: 1902.26, 0.00321463/step, 3.92507 hours remaining, 232.839844 MB of memory in use. ENERGY: 604400 3982.5713 20404.4196 14494.2731 251.1552 -203151.0717 2663.4786 0.0000 0.0000 52251.9067 -109103.2672 300.2924 -161355.1739 -108736.8843 300.0054 -14.8511 18.8524 763763.7965 22.9984 23.1048 PRESSURE: 604600 188.8 203.919 -171.81 203.919 -60.018 -104.06 -171.81 -104.059 8.74294 GPRESSURE: 604600 204.085 254.022 -216.173 38.6427 -68.1944 -61.3616 -83.1069 -35.01 62.5916 PRESSAVG: 604600 -30.8615 -27.1561 -29.3567 -27.1562 24.6344 -1.37456 -29.3569 -1.37455 35.8602 GPRESSAVG: 604600 -31.3876 -27.095 -28.806 -28.5945 24.894 -1.5632 -30.8602 -2.01228 36.547 TIMING: 604600 CPU: 1902.89, 0.00315216/step Wall: 1902.89, 0.00315216/step, 3.84861 hours remaining, 232.839844 MB of memory in use. ENERGY: 604600 3951.1785 20416.4319 14510.1162 246.4133 -203091.9193 2538.6961 0.0000 0.0000 52141.6895 -109287.3939 299.6590 -161429.0834 -108925.8963 299.4670 45.8417 66.1608 763850.4821 9.8777 10.0178 PRESSURE: 604800 -282.463 68.4979 83.2733 68.4984 86.5447 57.0373 83.2742 57.0381 108.63 GPRESSURE: 604800 -274.594 27.3124 94.4526 -20.9267 146.156 37.3402 80.8568 -49.0822 130.675 PRESSAVG: 604800 -43.4738 5.75739 -30.321 5.75738 20.8551 5.97084 -30.321 5.97078 2.15465 GPRESSAVG: 604800 -42.7874 3.89105 -29.8303 7.9774 19.3636 6.02475 -32.0788 7.72692 2.88087 TIMING: 604800 CPU: 1903.52, 0.0031409/step Wall: 1903.52, 0.0031409/step, 3.83469 hours remaining, 232.839844 MB of memory in use. ENERGY: 604800 4038.3676 20598.1223 14389.6949 242.6882 -203046.9244 2610.7935 0.0000 0.0000 51952.1470 -109215.1109 298.5697 -161167.2580 -108855.5752 299.3026 -29.0962 0.7460 763164.1934 -6.8214 -6.8476 PRESSURE: 605000 134.175 3.25033 81.663 3.24996 -162.306 132.795 81.6634 132.795 140.033 GPRESSURE: 605000 257.58 -13.1901 48.0797 68.5104 -146.302 196.573 -71.6758 41.199 110.863 PRESSAVG: 605000 18.3039 -8.54416 31.663 -8.54422 7.77021 57.5148 31.663 57.5148 -10.7552 GPRESSAVG: 605000 18.6436 -7.12952 31.2536 -7.84552 8.69664 57.318 31.879 54.4531 -11.1722 TIMING: 605000 CPU: 1904.14, 0.00310623/step Wall: 1904.14, 0.00310624/step, 3.7922 hours remaining, 232.839844 MB of memory in use. ENERGY: 605000 3960.5695 20571.1587 14459.2544 225.1807 -203382.7942 2781.2731 0.0000 0.0000 52374.9480 -109010.4098 300.9995 -161385.3578 -108637.5348 299.9580 37.3009 74.0469 761501.8881 5.1063 5.3894 PRESSURE: 605200 511.757 -120.943 -33.3801 -120.942 50.4423 4.10395 -33.3787 4.10478 -69.5632 GPRESSURE: 605200 460.065 -126.379 -9.2064 -75.0586 157.895 42.2856 117.108 40.6556 -46.9564 PRESSAVG: 605200 -9.00809 11.3429 39.5021 11.3428 11.8562 12.6578 39.5021 12.6578 9.42993 GPRESSAVG: 605200 -10.6056 10.7448 40.479 11.9443 11.9069 14.1035 41.1722 14.1018 10.5185 TIMING: 605200 CPU: 1904.77, 0.00312807/step Wall: 1904.77, 0.00312807/step, 3.81868 hours remaining, 232.839844 MB of memory in use. ENERGY: 605200 4052.9553 20520.9611 14388.4673 258.0964 -203207.3477 2711.2715 0.0000 0.0000 52057.4898 -109218.1063 299.1751 -161275.5961 -108858.1659 299.8607 164.2120 190.3346 761504.4591 4.0927 3.9399 PRESSURE: 605400 -130.921 77.4872 -231.722 77.4872 -204.989 32.0949 -231.721 32.0949 -156.558 GPRESSURE: 605400 -44.4334 192.231 -260.271 56.4751 -159.055 -44.9455 -185.812 -17.28 -198.033 PRESSAVG: 605400 -3.36374 -57.1929 61.4693 -57.1928 10.0104 23.7648 61.4693 23.7648 17.5334 GPRESSAVG: 605400 -2.54082 -56.365 61.5947 -57.7441 10.5652 21.3301 59.8222 23.9424 16.8226 TIMING: 605400 CPU: 1905.4, 0.00313255/step Wall: 1905.4, 0.00313255/step, 3.82397 hours remaining, 232.839844 MB of memory in use. ENERGY: 605400 4068.1927 20380.0796 14432.5639 256.7449 -203202.3361 2744.7291 0.0000 0.0000 52095.9522 -109224.0737 299.3962 -161320.0259 -108862.8601 299.6950 -164.1561 -133.8404 763521.7562 8.0600 8.2823 PRESSURE: 605600 -161.827 -141.712 102.515 -141.713 -94.0857 53.2194 102.515 53.2194 -86.4563 GPRESSURE: 605600 -160.501 -89.1296 18.3363 -216.149 -64.3651 -38.3783 -18.0518 -10.4674 -45.9849 PRESSAVG: 605600 -71.7299 -9.84093 26.5425 -9.84094 2.51356 -13.5583 26.5425 -13.5583 9.70186 GPRESSAVG: 605600 -71.8113 -9.06754 24.8816 -12.0029 1.6474 -12.7587 27.6651 -13.9431 10.8751 TIMING: 605600 CPU: 1906.03, 0.00315378/step Wall: 1906.03, 0.00315378/step, 3.84971 hours remaining, 232.839844 MB of memory in use. ENERGY: 605600 3955.4226 20578.5526 14444.1624 261.4228 -203180.0095 2622.2924 0.0000 0.0000 52122.6588 -109195.4979 299.5496 -161318.1567 -108832.6665 299.7766 -114.1229 -90.2837 763573.7416 -19.8382 -19.7629 PRESSURE: 605800 78.7262 -22.2189 8.29882 -22.2186 83.5457 -111.275 8.29879 -111.276 161.644 GPRESSURE: 605800 181.307 77.5853 13.5205 39.158 109.689 -43.8728 -23.8984 -185.293 117.061 PRESSAVG: 605800 -19.0813 57.0669 12.3146 57.0669 11.6159 -22.8424 12.3145 -22.8424 11.1354 GPRESSAVG: 605800 -19.7259 57.1862 12.0337 59.7572 12.9518 -21.4245 12.3177 -22.0231 10.5324 TIMING: 605800 CPU: 1906.65, 0.00312572/step Wall: 1906.65, 0.00312572/step, 3.81529 hours remaining, 232.839844 MB of memory in use. ENERGY: 605800 3968.7920 20374.3926 14464.1505 249.9739 -203036.7586 2413.0416 0.0000 0.0000 52354.0367 -109212.3713 300.8794 -161566.4080 -108859.4538 299.9863 107.9720 136.0193 760930.1046 1.2233 1.2527 PRESSURE: 606000 102.405 -18.8341 72.0742 -18.8346 -11.2333 238.153 72.075 238.154 -50.3108 GPRESSURE: 606000 178.403 -26.5325 68.1625 52.4503 -2.56963 313.977 48.6159 233.404 -81.4036 PRESSAVG: 606000 -22.714 77.4304 24.3677 77.4305 17.0546 -22.9502 24.3677 -22.9501 4.18902 GPRESSAVG: 606000 -21.5165 77.9715 24.7921 76.6921 17.3384 -23.9912 25.3368 -23.2461 2.8371 TIMING: 606000 CPU: 1907.28, 0.00311898/step Wall: 1907.28, 0.00311898/step, 3.80689 hours remaining, 232.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 606000 4010.3811 20354.5875 14450.7712 255.0442 -203089.3106 2541.2517 0.0000 0.0000 52437.4541 -109039.8208 301.3588 -161477.2749 -108669.4726 300.1609 13.6203 31.4766 761206.9036 -0.4901 -0.4470 PRESSURE: 606200 -292.329 -122.917 169.016 -122.917 -85.9265 -25.7813 169.015 -25.7805 -475.653 GPRESSURE: 606200 -262.582 -153.92 221.448 -37.5833 -77.5895 -60.1705 251.971 -50.5887 -444.767 PRESSAVG: 606200 -10.8886 -2.42454 67.7146 -2.42455 14.2281 -38.5016 67.7145 -38.5015 -9.51119 GPRESSAVG: 606200 -10.8263 -4.05056 67.7822 -2.14919 13.0486 -40.2301 69.3579 -37.6002 -8.13049 TIMING: 606200 CPU: 1907.9, 0.00312995/step Wall: 1907.9, 0.00312995/step, 3.82011 hours remaining, 232.839844 MB of memory in use. ENERGY: 606200 4036.9240 20287.2015 14447.2170 247.3599 -203108.0942 2444.8047 0.0000 0.0000 52262.4336 -109382.1536 300.3529 -161644.5871 -109009.2911 299.4932 -284.6364 -261.6463 763192.8081 -2.0572 -1.9694 PRESSURE: 606400 -218.393 22.1444 -111.748 22.1454 -143.363 63.3465 -111.747 63.3469 65.2644 GPRESSURE: 606400 -138.613 60.5698 -28.9709 -10.4107 -194.805 71.8538 5.55173 53.9491 129.477 PRESSAVG: 606400 -31.9824 2.51128 40.6279 2.51125 49.7343 12.812 40.628 12.812 16.9482 GPRESSAVG: 606400 -31.5038 2.32728 41.5758 3.22518 49.7051 14.9642 38.9224 13.5549 16.4027 TIMING: 606400 CPU: 1908.53, 0.00314631/step Wall: 1908.53, 0.0031463/step, 3.83989 hours remaining, 232.839844 MB of memory in use. ENERGY: 606400 4071.1102 20258.5119 14408.2837 244.9927 -203443.0450 2539.8508 0.0000 0.0000 52422.7098 -109497.5859 301.2740 -161920.2958 -109128.5584 299.4972 -98.8305 -67.9803 762088.6959 11.5667 11.5347 PRESSURE: 606600 -236.545 143.348 269.02 143.348 -178.036 -105.694 269.02 -105.694 432.456 GPRESSURE: 606600 -112.353 58.1122 159.547 52.7178 -178.911 -185.411 241.028 -122.509 396.083 PRESSAVG: 606600 -33.1155 -24.1663 46.6507 -24.1664 20.3665 0.853134 46.6506 0.853117 24.5567 GPRESSAVG: 606600 -32.382 -22.5869 43.7444 -26.4194 19.9269 0.0102458 46.8633 0.16483 25.035 TIMING: 606600 CPU: 1909.16, 0.00313907/step Wall: 1909.16, 0.00313907/step, 3.83089 hours remaining, 232.839844 MB of memory in use. ENERGY: 606600 3953.9849 20545.8017 14387.2567 253.5643 -203206.6549 2482.7930 0.0000 0.0000 52158.5773 -109424.6770 299.7561 -161583.2544 -109068.6158 299.3551 5.9581 34.9395 761491.2210 3.9359 4.1933 PRESSURE: 606800 454.621 -141.857 296.289 -141.856 428.379 155.006 296.29 155.006 345.377 GPRESSURE: 606800 488.05 -150.959 196.233 -82.278 512.262 169.532 140.26 88.7207 313.559 PRESSAVG: 606800 -30.1827 -25.6902 29.547 -25.6901 25.0455 27.6304 29.547 27.6304 11.4569 GPRESSAVG: 606800 -30.8561 -24.6144 31.2825 -24.6374 26.3535 30.0567 27.3174 27.423 10.9102 TIMING: 606800 CPU: 1909.78, 0.00311811/step Wall: 1909.78, 0.00311811/step, 3.80514 hours remaining, 232.839844 MB of memory in use. ENERGY: 606800 4037.0033 20287.0510 14404.7295 252.4527 -204025.9381 3199.2312 0.0000 0.0000 52334.6415 -109510.8290 300.7679 -161845.4704 -109149.3237 299.6646 409.4592 437.9571 759796.4313 2.1066 2.1359 PRESSURE: 607000 -81.3711 4.36267 153.197 4.36245 -124.938 -56.7235 153.198 -56.7239 -2.56118 GPRESSURE: 607000 -45.0846 21.6002 71.9504 -74.164 -67.472 -16.3352 124.386 -183.304 -42.063 PRESSAVG: 607000 32.0919 -20.1784 44.0477 -20.1784 2.62012 10.3647 44.0478 10.3648 -24.5027 GPRESSAVG: 607000 32.3759 -22.0576 44.445 -20.4151 2.9852 9.62451 45.1027 8.56845 -24.7335 TIMING: 607000 CPU: 1910.41, 0.00312195/step Wall: 1910.41, 0.00312195/step, 3.80965 hours remaining, 232.839844 MB of memory in use. ENERGY: 607000 3978.4040 20493.8072 14348.2511 249.0056 -203126.0631 2285.7113 0.0000 0.0000 52082.6888 -109688.1950 299.3199 -161770.8838 -109317.8248 299.0851 -69.6235 -51.5399 761288.7010 3.4031 3.5425 PRESSURE: 607200 -156.832 -65.781 221.516 -65.7821 -389.745 -158.277 221.515 -158.278 -23.3751 GPRESSURE: 607200 -197.387 -186.469 223.736 32.4964 -295.297 -107.461 281.835 -126.07 13.4147 PRESSAVG: 607200 1.44144 -30.0725 68.0688 -30.0725 -3.39296 -24.1309 68.0688 -24.1309 21.7746 GPRESSAVG: 607200 1.57959 -29.6654 68.8178 -29.901 -2.86738 -24.9299 68.737 -23.3277 21.6175 TIMING: 607200 CPU: 1911.03, 0.00311693/step Wall: 1911.03, 0.00311693/step, 3.80335 hours remaining, 232.839844 MB of memory in use. ENERGY: 607200 4008.8548 20421.9522 14384.1741 238.2413 -203190.2206 2335.9445 0.0000 0.0000 51967.0671 -109833.9866 298.6554 -161801.0537 -109476.4137 298.8651 -189.9838 -159.7565 760574.8913 6.6077 6.7766 PRESSURE: 607400 -90.0113 112.205 335.778 112.204 38.2948 283.75 335.779 283.75 89.4877 GPRESSURE: 607400 -17.4491 108.932 213.32 163.152 67.4027 282.906 310.827 201.674 71.8992 PRESSAVG: 607400 -13.6879 -19.5629 92.2771 -19.5628 -16.776 -65.1077 92.2772 -65.1078 -6.64701 GPRESSAVG: 607400 -13.4906 -18.1291 91.7726 -21.6646 -16.4248 -65.7906 91.2634 -64.6057 -6.86744 TIMING: 607400 CPU: 1911.65, 0.00312413/step Wall: 1911.65, 0.00312413/step, 3.81195 hours remaining, 232.839844 MB of memory in use. ENERGY: 607400 4016.6410 20251.4401 14439.5597 233.6844 -203150.0103 2519.8569 0.0000 0.0000 51914.9799 -109773.8482 298.3561 -161688.8282 -109412.4401 298.6277 12.5904 40.6176 760118.0288 -12.3703 -12.2610 PRESSURE: 607600 453.68 87.5069 -154.641 87.5065 262.425 -60.3338 -154.641 -60.3338 91.8798 GPRESSURE: 607600 492.206 -1.78616 -12.6016 -3.36723 306.758 23.0629 -67.1289 -75.8998 97.1333 PRESSAVG: 607600 19.1357 -1.53601 44.6656 -1.53594 -38.3246 0.112156 44.6656 0.112099 3.21335 GPRESSAVG: 607600 18.2433 -6.60401 44.6963 2.5905 -38.4182 0.856746 44.4585 -2.36355 4.435 TIMING: 607600 CPU: 1912.28, 0.0031118/step Wall: 1912.28, 0.0031118/step, 3.79675 hours remaining, 232.839844 MB of memory in use. ENERGY: 607600 3995.2776 20477.1191 14471.4964 242.0677 -203752.0069 2704.9925 0.0000 0.0000 51962.9209 -109898.1326 298.6316 -161861.0535 -109536.8305 298.3165 269.3282 298.6991 758664.6397 -5.3252 -5.2466 PRESSURE: 607800 212.535 -24.8044 -163.725 -24.8037 -103.412 -318.623 -163.725 -318.624 -128.886 GPRESSURE: 607800 233.898 -87.3649 -138.952 12.2323 -88.6717 -220.327 -148.333 -205.52 -98.3317 PRESSAVG: 607800 -39.9724 14.1087 -15.7084 14.1087 28.1164 5.25087 -15.7084 5.25096 32.8811 GPRESSAVG: 607800 -39.2596 17.7152 -16.4677 11.8611 28.3366 6.5292 -13.4953 7.04866 32.0592 TIMING: 607800 CPU: 1912.9, 0.00310562/step Wall: 1912.9, 0.00310562/step, 3.78902 hours remaining, 232.839844 MB of memory in use. ENERGY: 607800 4006.3025 20479.0982 14395.0646 257.4644 -203710.6241 2718.2640 0.0000 0.0000 52032.7551 -109821.6752 299.0330 -161854.4303 -109462.2843 298.5903 -6.5875 15.6317 760559.7425 7.0084 7.0454 PRESSURE: 608000 96.8856 -21.4764 -25.7253 -21.476 -146.739 197.179 -25.7251 197.178 -434.991 GPRESSURE: 608000 123.822 -84.797 -11.09 6.19908 -55.7841 158.708 -90.3804 38.3855 -486.235 PRESSAVG: 608000 -7.29682 -13.6679 -6.42999 -13.6679 15.9418 -36.6558 -6.43002 -36.6557 9.44431 GPRESSAVG: 608000 -8.26352 -13.1493 -6.72952 -13.2241 15.7158 -37.2785 -9.41317 -36.769 10.2443 TIMING: 608000 CPU: 1913.52, 0.003112/step Wall: 1913.52, 0.00311199/step, 3.79663 hours remaining, 232.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 608000 4056.8874 20469.3944 14353.6177 241.2738 -203708.4013 2827.6902 0.0000 0.0000 51935.5784 -109823.9595 298.4745 -161759.5378 -109458.7083 298.5354 -161.6147 -139.3991 760965.5104 6.0298 5.8989 PRESSURE: 608200 -297.824 0.359833 -47.8868 0.359948 -9.96204 -238.674 -47.8861 -238.675 153.17 GPRESSURE: 608200 -231.42 46.9705 -80.7758 -146.033 -19.5916 -240.904 -26.4693 -166.484 188.005 PRESSAVG: 608200 3.55073 5.03457 14.4403 5.03458 -18.2695 -24.8074 14.4403 -24.8073 20.0991 GPRESSAVG: 608200 3.49375 3.71842 15.3466 4.1464 -18.3468 -24.0287 16.7892 -25.4513 20.7901 TIMING: 608200 CPU: 1914.15, 0.00315713/step Wall: 1914.15, 0.00315713/step, 3.85152 hours remaining, 232.839844 MB of memory in use. ENERGY: 608200 4023.1797 20694.3096 14465.2796 267.1963 -203459.1695 2600.4723 0.0000 0.0000 51746.1009 -109662.6311 297.3856 -161408.7320 -109306.7508 298.6864 -51.5387 -21.0023 763058.9624 1.7934 1.9790 LDB: ============= START OF LOAD BALANCING ============== 1926.55 LDB: ============== END OF LOAD BALANCING =============== 1926.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1926.55 LDB: ============= START OF LOAD BALANCING ============== 1926.87 LDB: Largest compute 7056 load 0.031747 is 16.2% of average load 0.195854 LDB: Average compute 0.004368 is 2.2% of average load 0.195854 LDB: TIME 1926.87 LOAD: AVG 0.195854 MAX 0.212884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.406 MB LDB: TIME 1926.87 LOAD: AVG 0.195854 MAX 0.212884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.406 MB LDB: TIME 1926.87 LOAD: AVG 0.195854 MAX 0.212884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.406 MB LDB: ============== END OF LOAD BALANCING =============== 1926.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1926.88 PRESSURE: 608400 -218.778 -130.864 86.0807 -130.865 180.781 184.642 86.0803 184.642 -159.776 GPRESSURE: 608400 -185.617 -274.47 50.3841 -149.523 174.365 130.899 107.167 89.8611 -103.618 PRESSAVG: 608400 36.8162 -11.5845 77.438 -11.5845 -32.9129 43.9494 77.4379 43.9493 -12.5713 GPRESSAVG: 608400 36.699 -13.1068 76.1586 -11.1682 -33.414 43.7243 75.6996 43.413 -12.4555 TIMING: 608400 CPU: 1914.8, 0.00321644/step Wall: 1914.8, 0.00321644/step, 3.9237 hours remaining, 234.375000 MB of memory in use. ENERGY: 608400 4062.2283 20470.9780 14459.6817 254.2977 -203888.1038 2756.3723 0.0000 0.0000 52308.4461 -109576.0998 300.6174 -161884.5459 -109204.3642 299.4736 -65.9244 -38.2901 760799.3796 -2.8893 -3.0568 PRESSURE: 608600 117.713 -268.795 -135.177 -268.796 -261.957 130.036 -135.177 130.037 -109.885 GPRESSURE: 608600 85.6208 -260.275 -131.138 -149.056 -185.909 68.2144 -63.4332 75.7935 -79.1735 PRESSAVG: 608600 93.2193 -18.9408 4.58054 -18.9407 -45.1835 30.3912 4.58047 30.3912 15.9301 GPRESSAVG: 608600 93.741 -16.5328 3.41067 -18.7702 -45.2324 27.7246 5.02859 31.776 15.1355 TIMING: 608600 CPU: 1915.42, 0.00312195/step Wall: 1915.42, 0.00312195/step, 3.80826 hours remaining, 234.375000 MB of memory in use. ENERGY: 608600 4025.1249 20637.9560 14504.0398 250.9281 -203649.9569 2689.8642 0.0000 0.0000 51949.9298 -109592.1140 298.5570 -161542.0439 -109232.9326 299.2550 -84.7097 -59.8207 760004.9992 21.3220 21.2147 PRESSURE: 608800 130.101 83.767 167.846 83.767 79.3653 -65.028 167.846 -65.0276 -384.053 GPRESSURE: 608800 214.366 32.3458 170.932 47.7277 38.2669 -34.5925 141.959 52.7181 -339.094 PRESSAVG: 608800 40.7818 -5.74495 23.7427 -5.74498 -38.915 -5.07715 23.7427 -5.0771 -16.0116 GPRESSAVG: 608800 41.1288 -7.00214 25.3033 -5.4528 -39.71 -4.05765 24.5122 -5.98055 -15.7678 TIMING: 608800 CPU: 1916.05, 0.00313339/step Wall: 1916.05, 0.00313339/step, 3.82204 hours remaining, 234.375000 MB of memory in use. ENERGY: 608800 3966.9580 20598.5840 14395.6777 225.6022 -203033.6200 2181.6077 0.0000 0.0000 52190.5136 -109474.6769 299.9396 -161665.1904 -109109.1970 299.4637 -58.1953 -28.8203 761319.4400 -4.7149 -4.7830 PRESSURE: 609000 21.6845 -120.398 -24.6422 -120.398 260.051 -29.5418 -24.6432 -29.5424 -222.165 GPRESSURE: 609000 -3.40822 -102.252 19.9844 -79.8245 273.86 -43.5069 42.0044 -69.1568 -102.878 PRESSAVG: 609000 3.73608 -8.90553 17.1222 -8.90555 29.2432 18.1308 17.1222 18.1308 -24.3988 GPRESSAVG: 609000 3.7519 -8.60554 17.3223 -10.3379 29.4658 18.1773 15.9422 18.2825 -24.5212 TIMING: 609000 CPU: 1916.67, 0.00312411/step Wall: 1916.67, 0.00312411/step, 3.81054 hours remaining, 234.375000 MB of memory in use. ENERGY: 609000 4043.4467 20607.9976 14455.0660 255.6194 -203478.9513 2490.8297 0.0000 0.0000 52144.2251 -109481.7667 299.6736 -161625.9918 -109128.7532 299.4810 19.8571 55.8581 761396.8198 2.8602 2.8988 PRESSURE: 609200 101.076 -271.709 -80.6556 -271.71 296.061 -38.1281 -80.6554 -38.1274 67.4813 GPRESSURE: 609200 124.622 -264.263 -34.9717 -253.501 273.971 -46.3133 -78.4097 -93.4511 143.794 PRESSAVG: 609200 8.57615 -64.7692 24.7157 -64.7692 -29.3194 -10.3229 24.7158 -10.3229 -0.99786 GPRESSAVG: 609200 8.48091 -64.4313 23.9491 -63.1549 -30.2319 -10.9981 25.1188 -10.0495 0.0321798 TIMING: 609200 CPU: 1917.3, 0.00313838/step Wall: 1917.3, 0.00313838/step, 3.82777 hours remaining, 234.375000 MB of memory in use. ENERGY: 609200 3941.6583 20490.0521 14471.8282 251.1925 -203625.8415 2873.6176 0.0000 0.0000 51997.4235 -109600.0693 298.8299 -161597.4928 -109233.0594 299.0425 154.8726 180.7955 762016.4373 -7.2470 -7.2396 PRESSURE: 609400 204.841 -182.872 86.7104 -182.872 -73.4354 83.672 86.7099 83.672 -116.381 GPRESSURE: 609400 262.207 -141.145 57.6705 -172.769 -5.20428 139.052 -23.4169 115.425 -144.487 PRESSAVG: 609400 15.7165 -34.6921 -19.593 -34.692 -32.6617 -9.24276 -19.5931 -9.24278 5.98218 GPRESSAVG: 609400 14.9152 -33.7716 -18.9626 -36.1652 -31.8505 -8.08718 -20.6764 -10.3268 5.22268 TIMING: 609400 CPU: 1917.93, 0.00313592/step Wall: 1917.93, 0.00313592/step, 3.82461 hours remaining, 234.375000 MB of memory in use. ENERGY: 609400 3947.8395 20514.8838 14411.2996 237.7131 -203867.1977 2882.0212 0.0000 0.0000 52112.7080 -109760.7325 299.4924 -161873.4405 -109397.2163 298.8937 5.0080 37.5052 760623.7178 -3.6543 -3.9042 PRESSURE: 609600 73.4022 -315.25 -236.31 -315.249 150.683 -46.7864 -236.311 -46.7857 -59.8799 GPRESSURE: 609600 152.859 -280.784 -214.928 -196.703 124.627 -3.56196 -121.692 23.01 -26.972 PRESSAVG: 609600 -31.5281 -33.6574 -30.7495 -33.6574 10.8142 -30.4367 -30.7496 -30.4367 -15.8988 GPRESSAVG: 609600 -30.8769 -34.6864 -32.6784 -32.2585 10.518 -31.3734 -28.7587 -29.2882 -16.4026 TIMING: 609600 CPU: 1918.55, 0.00314158/step Wall: 1918.55, 0.00314158/step, 3.83133 hours remaining, 234.375000 MB of memory in use. ENERGY: 609600 4034.0187 20492.4634 14505.1192 231.7856 -203483.7302 2692.2802 0.0000 0.0000 51812.6959 -109715.3672 297.7683 -161528.0631 -109362.4650 299.1285 54.7350 83.5048 760174.6047 -12.2042 -12.2538 PRESSURE: 609800 290.224 266.313 116.977 266.313 509.27 -0.287968 116.977 -0.287404 261.254 GPRESSURE: 609800 282.886 257.645 125.129 259.278 525.945 -22.7688 -61.1543 53.3259 312.503 PRESSAVG: 609800 4.2496 -48.5188 -13.4284 -48.5188 -13.7299 -17.7864 -13.4285 -17.7864 -6.66243 GPRESSAVG: 609800 4.47666 -47.5324 -12.8028 -49.5221 -14.2131 -18.2203 -14.5416 -16.5162 -6.78243 TIMING: 609800 CPU: 1919.18, 0.00313297/step Wall: 1919.18, 0.00313297/step, 3.82066 hours remaining, 234.375000 MB of memory in use. ENERGY: 609800 3923.2678 20519.3979 14436.4949 240.4877 -203707.0687 2653.4179 0.0000 0.0000 52367.9025 -109566.1000 300.9591 -161934.0024 -109198.2478 299.2214 353.5827 373.7777 761065.9910 -5.3809 -5.5063 PRESSURE: 610000 94.5643 -30.6781 156.947 -30.6791 -46.5993 0.210267 156.946 0.210104 203.674 GPRESSURE: 610000 31.0865 -95.7651 92.9872 -176.53 77.8149 3.51501 40.6942 -167.798 223.546 PRESSAVG: 610000 -0.195249 -25.804 33.4532 -25.804 7.30697 -26.6141 33.4532 -26.6141 3.52279 GPRESSAVG: 610000 -1.373 -26.8226 33.2868 -26.696 8.57391 -26.6348 32.9825 -29.521 3.46389 TIMING: 610000 CPU: 1919.81, 0.00312748/step Wall: 1919.81, 0.00312748/step, 3.81379 hours remaining, 234.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 610000 4037.4406 20619.3106 14388.4239 258.0570 -203810.6268 2787.0271 0.0000 0.0000 52014.8435 -109705.5240 298.9300 -161720.3675 -109337.7875 299.2837 83.8796 110.8157 759817.5158 3.5448 3.5549 PRESSURE: 610200 -219.941 -17.0775 -127.016 -17.0773 -11.4428 30.429 -127.014 30.4285 194.625 GPRESSURE: 610200 -107.88 59.3032 -202.492 36.6025 -45.7054 -21.5612 18.8455 23.2983 211.67 PRESSAVG: 610200 -24.3937 -27.5715 -31.4494 -27.5715 56.2493 -8.43606 -31.4494 -8.43604 4.23525 GPRESSAVG: 610200 -23.262 -27.2862 -31.5967 -26.868 55.6146 -9.1773 -28.7436 -4.80892 3.82209 TIMING: 610200 CPU: 1920.43, 0.00313828/step Wall: 1920.43, 0.00313828/step, 3.82679 hours remaining, 234.375000 MB of memory in use. ENERGY: 610200 4005.1917 20496.1488 14467.1867 240.8233 -203211.7839 2349.2364 0.0000 0.0000 52101.0537 -109552.1433 299.4255 -161653.1970 -109174.5865 299.3974 -12.2530 19.3615 760868.3620 12.0303 12.0582 PRESSURE: 610400 575.689 -41.56 -28.2484 -41.5606 630.597 90.6077 -28.2486 90.608 -9.05969 GPRESSURE: 610400 594.193 -89.3146 33.9841 -55.4662 641.212 137.996 -34.4294 107.121 62.8636 PRESSAVG: 610400 -19.2937 -53.2791 3.17954 -53.279 45.9626 -5.73431 3.17953 -5.73444 22.304 GPRESSAVG: 610400 -19.7236 -54.6241 3.53546 -53.4454 46.8631 -5.62287 1.0739 -8.35407 22.0828 TIMING: 610400 CPU: 1921.06, 0.00312976/step Wall: 1921.06, 0.00312976/step, 3.81622 hours remaining, 234.375000 MB of memory in use. ENERGY: 610400 3993.5480 20576.5707 14569.6614 229.7919 -203459.4669 2718.5865 0.0000 0.0000 51818.6432 -109552.6653 297.8025 -161371.3084 -109193.8026 299.6504 399.0756 432.7564 759311.5665 16.3243 16.4075 PRESSURE: 610600 -76.4033 -40.122 -111.847 -40.1213 47.0356 106.552 -111.847 106.552 -81.2576 GPRESSURE: 610600 9.92124 11.8738 -184.548 -118.222 99.8989 229.396 23.0011 47.865 -127.424 PRESSAVG: 610600 -43.1087 -42.7567 -53.001 -42.7567 90.2457 19.6246 -53.0011 19.6245 -1.41191 GPRESSAVG: 610600 -41.2819 -39.0189 -52.7674 -43.7294 88.1302 21.1769 -52.3142 20.922 -1.35912 TIMING: 610600 CPU: 1921.69, 0.00314439/step Wall: 1921.69, 0.00314439/step, 3.83389 hours remaining, 234.375000 MB of memory in use. ENERGY: 610600 4007.2219 20494.2571 14429.8799 238.0067 -203419.0620 2422.9494 0.0000 0.0000 52251.9335 -109574.8135 300.2926 -161826.7470 -109213.3059 299.6026 -36.8751 -5.8680 760304.8464 15.2417 15.1630 PRESSURE: 610800 -146.551 37.3151 109.346 37.3146 -156.161 156.576 109.346 156.576 -118.558 GPRESSURE: 610800 -113.955 -7.65452 75.2391 62.1568 -107.899 132.595 10.3821 32.786 -126.444 PRESSAVG: 610800 -56.1418 -3.9184 42.4619 -3.91845 43.9927 6.91461 42.462 6.91456 -12.3399 GPRESSAVG: 610800 -56.9103 -8.31585 42.2588 0.584173 45.4227 6.54961 44.1552 4.83765 -13.2525 TIMING: 610800 CPU: 1922.31, 0.00312937/step Wall: 1922.31, 0.00312937/step, 3.8154 hours remaining, 234.375000 MB of memory in use. ENERGY: 610800 4012.6421 20465.4388 14447.7656 252.3804 -203484.7568 2511.9792 0.0000 0.0000 52230.9163 -109563.6344 300.1718 -161794.5507 -109193.1250 299.9128 -140.4235 -116.0994 759629.0189 -8.1630 -8.2467 PRESSURE: 611000 150.141 -235.183 -156.042 -235.183 298.697 104.444 -156.042 104.444 121.315 GPRESSURE: 611000 236.78 -291.306 -146.714 -210.789 256.138 102.965 -144.594 112.136 161.95 PRESSAVG: 611000 -93.2838 -69.2429 -10.4569 -69.2428 77.6834 28.0573 -10.4569 28.0573 14.7202 GPRESSAVG: 611000 -93.4409 -67.1101 -10.8424 -72.772 77.9106 27.1001 -12.8865 28.0031 14.6403 TIMING: 611000 CPU: 1922.94, 0.00312928/step Wall: 1922.94, 0.00312928/step, 3.81511 hours remaining, 234.375000 MB of memory in use. ENERGY: 611000 3979.1897 20506.6286 14430.2377 267.2051 -203522.6512 2519.9596 0.0000 0.0000 52211.2765 -109608.1541 300.0589 -161819.4306 -109260.5064 299.4638 190.0511 218.2895 759036.2208 -0.2934 -0.2967 PRESSURE: 611200 247.221 -75.347 128.861 -75.3468 117.387 -174.108 128.862 -174.107 -192.511 GPRESSURE: 611200 356.426 -29.6295 247.092 -60.2088 41.4407 -199.844 103.008 -154.375 -148.617 PRESSAVG: 611200 -29.532 -101.484 -57.0763 -101.484 34.3909 -3.19554 -57.0763 -3.1955 7.64948 GPRESSAVG: 611200 -29.3918 -102.039 -56.4906 -100.621 33.0562 -2.28293 -57.5377 -0.311222 9.20287 TIMING: 611200 CPU: 1923.57, 0.0031613/step Wall: 1923.57, 0.0031613/step, 3.85398 hours remaining, 234.375000 MB of memory in use. ENERGY: 611200 3962.8150 20539.7025 14465.7627 255.8512 -203525.1042 2531.1632 0.0000 0.0000 51928.4003 -109841.4093 298.4332 -161769.8096 -109477.2996 299.2119 57.3655 83.0831 760133.4478 4.1695 4.2891 PRESSURE: 611400 -207.651 0.271112 -33.344 0.270262 -235.504 -3.55525 -33.3447 -3.55558 103.137 GPRESSURE: 611400 -83.2371 -0.168121 71.7632 18.5978 -299.352 -31.8788 -44.9021 -20.2157 152.59 PRESSAVG: 611400 -51.2174 -83.7079 -40.5454 -83.7079 51.1584 21.6926 -40.5455 21.6926 14.4815 GPRESSAVG: 611400 -51.5606 -84.9134 -40.953 -84.6839 51.1467 20.7374 -38.5662 20.7458 14.2116 TIMING: 611400 CPU: 1924.2, 0.00313076/step Wall: 1924.2, 0.00313076/step, 3.81657 hours remaining, 234.375000 MB of memory in use. ENERGY: 611400 4007.5793 20519.3737 14469.7316 237.7652 -203531.0712 2358.3306 0.0000 0.0000 52062.8296 -109875.4612 299.2058 -161938.2908 -109518.5862 299.2097 -113.3395 -76.6662 759602.1411 4.8075 4.5992 PRESSURE: 611600 -54.5345 -162.229 -124.244 -162.229 -275.799 11.0225 -124.244 11.0207 36.7797 GPRESSURE: 611600 -54.7476 -112.581 -181.763 -121.848 -234.582 23.6594 -108.58 30.2563 65.9823 PRESSAVG: 611600 -54.1498 -72.8267 18.2823 -72.8267 33.642 -43.1194 18.2823 -43.1194 4.56826 GPRESSAVG: 611600 -54.1017 -73.4836 18.3404 -72.1989 33.8626 -41.7825 17.1632 -42.229 4.42523 TIMING: 611600 CPU: 1924.83, 0.00314145/step Wall: 1924.83, 0.00314145/step, 3.82943 hours remaining, 234.375000 MB of memory in use. ENERGY: 611600 3971.5090 20617.0870 14442.1514 242.6809 -203310.5216 2158.1004 0.0000 0.0000 52008.0841 -109870.9087 298.8912 -161878.9928 -109507.0058 298.9121 -97.8513 -74.4491 759511.6965 -5.3132 -5.2713 PRESSURE: 611800 -235.817 -128.992 -81.0406 -128.992 277.428 -66.3856 -81.0407 -66.3852 -465.805 GPRESSURE: 611800 -197.284 -213.465 17.983 -137.767 275.698 -55.0146 -105.569 -2.77574 -418.921 PRESSAVG: 611800 64.5237 -94.8039 29.9504 -94.8039 -43.6343 -37.1057 29.9504 -37.1056 9.36737 GPRESSAVG: 611800 63.5071 -93.1637 29.2993 -92.7604 -41.6554 -38.4199 30.2003 -37.9975 8.78375 TIMING: 611800 CPU: 1925.45, 0.00313464/step Wall: 1925.45, 0.00313464/step, 3.82095 hours remaining, 234.375000 MB of memory in use. ENERGY: 611800 3856.9959 20524.0673 14393.0018 237.5991 -203376.6688 2390.4844 0.0000 0.0000 52035.7941 -109938.7262 299.0504 -161974.5203 -109575.2363 298.9922 -141.3979 -113.5023 760405.8150 10.0856 10.2118 PRESSURE: 612000 -78.9574 90.6077 -124.613 90.6076 254.726 1.6918 -124.613 1.69217 -271.223 GPRESSURE: 612000 -83.5763 -37.7448 -101.822 67.8949 305.543 -30.9793 -70.8037 72.5608 -221.187 PRESSAVG: 612000 -45.235 -104.889 -49.0093 -104.89 51.8464 32.6375 -49.0094 32.6375 8.61936 GPRESSAVG: 612000 -43.9561 -105.155 -47.9347 -105.548 50.4043 32.772 -49.2491 31.4543 8.85269 TIMING: 612000 CPU: 1926.08, 0.00313151/step Wall: 1926.08, 0.00313151/step, 3.81697 hours remaining, 234.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 612000 4007.7615 20391.2378 14426.6971 245.2599 -203943.5070 2982.2234 0.0000 0.0000 51850.3959 -110039.9315 297.9849 -161890.3274 -109685.5479 298.5207 -31.8182 0.2600 760748.9152 5.0769 5.1003 PRESSURE: 612200 0.96133 -428.57 -19.0435 -428.57 -109.656 72.9892 -19.0436 72.9904 -274.14 GPRESSURE: 612200 31.9711 -413.313 6.46565 -362.964 -19.2752 -57.6423 -2.34618 99.8772 -326.322 PRESSAVG: 612200 -8.29832 -85.5988 -31.6961 -85.5988 30.4467 56.2034 -31.696 56.2034 17.2274 GPRESSAVG: 612200 -7.91149 -86.565 -32.2647 -87.2229 30.504 57.8826 -30.3276 54.0655 16.7901 TIMING: 612200 CPU: 1926.7, 0.00311724/step Wall: 1926.7, 0.00311724/step, 3.7994 hours remaining, 234.375000 MB of memory in use. ENERGY: 612200 3925.2822 20393.6170 14461.5728 246.8544 -203868.1928 2648.6307 0.0000 0.0000 52203.8761 -109988.3596 300.0164 -162192.2357 -109612.2174 298.7359 -127.6118 -104.5420 760262.4528 13.1253 13.1276 LDB: ============= START OF LOAD BALANCING ============== 1939.1 LDB: ============== END OF LOAD BALANCING =============== 1939.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1939.1 LDB: ============= START OF LOAD BALANCING ============== 1939.42 LDB: Largest compute 7056 load 0.031151 is 15.9% of average load 0.195802 LDB: Average compute 0.004360 is 2.2% of average load 0.195802 LDB: TIME 1939.42 LOAD: AVG 0.195802 MAX 0.214373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.074 MB LDB: TIME 1939.42 LOAD: AVG 0.195802 MAX 0.214373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.074 MB LDB: TIME 1939.42 LOAD: AVG 0.195802 MAX 0.214373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.074 MB LDB: ============== END OF LOAD BALANCING =============== 1939.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1939.43 PRESSURE: 612400 139.452 85.7558 152.685 85.7557 -54.0807 -60.4288 152.685 -60.4278 -230.228 GPRESSURE: 612400 179.58 -37.8912 207.081 102.352 -49.7329 -86.5644 0.735612 -94.1157 -189.826 PRESSAVG: 612400 20.5408 -67.497 28.8155 -67.4971 -18.8419 15.5201 28.8155 15.5202 3.82046 GPRESSAVG: 612400 19.2287 -67.6893 30.5718 -65.3607 -18.632 14.2336 25.7298 18.1324 4.87765 TIMING: 612400 CPU: 1927.34, 0.00320396/step Wall: 1927.34, 0.00320396/step, 3.90492 hours remaining, 233.863281 MB of memory in use. ENERGY: 612400 4015.5847 20544.3509 14439.8280 252.8229 -203853.2642 2681.4427 0.0000 0.0000 51928.7000 -109990.5350 298.4350 -161919.2350 -109633.5323 298.8410 -48.2857 -19.9931 760899.1274 1.8398 1.8248 PRESSURE: 612600 -265.759 -277.74 -253.555 -277.74 116.072 -13.2496 -253.555 -13.2488 69.9428 GPRESSURE: 612600 -166.9 -254.532 -267.57 -218.807 113.73 67.5686 -276.601 -97.6075 43.8262 PRESSAVG: 612600 -5.92898 -7.75783 -30.8557 -7.75775 9.59715 8.7214 -30.8557 8.72142 20.1531 GPRESSAVG: 612600 -5.52631 -8.65319 -31.3197 -10.9576 9.6729 9.47254 -27.9131 8.04339 19.1731 TIMING: 612600 CPU: 1927.97, 0.00312451/step Wall: 1927.97, 0.00312451/step, 3.80792 hours remaining, 233.933594 MB of memory in use. ENERGY: 612600 4024.3863 20534.8967 14435.3292 211.2088 -203756.3559 2531.3619 0.0000 0.0000 52170.2029 -109848.9700 299.8229 -162019.1729 -109475.4454 299.2791 -26.5813 -3.1145 758814.7667 7.9404 7.7732 PRESSURE: 612800 -186.558 -15.7107 33.6841 -15.7115 107.735 285.11 33.683 285.109 -191.628 GPRESSURE: 612800 -137.763 63.9458 -26.3703 -67.8448 117.861 334.384 51.312 253.698 -158.564 PRESSAVG: 612800 28.2336 -37.6619 -26.374 -37.6619 36.706 52.0096 -26.374 52.0096 -9.07822 GPRESSAVG: 612800 29.2355 -35.5454 -26.4457 -34.3952 36.1093 51.2593 -30.0363 51.2076 -8.99411 TIMING: 612800 CPU: 1928.6, 0.00313588/step Wall: 1928.6, 0.00313588/step, 3.82159 hours remaining, 234.136719 MB of memory in use. ENERGY: 612800 3890.3174 20622.0718 14405.3236 244.9590 -203777.5155 2559.2901 0.0000 0.0000 52248.3476 -109807.2061 300.2720 -162055.5537 -109450.0885 299.1477 -90.1502 -59.4885 758329.3134 18.6205 18.7835 PRESSURE: 613000 -174.402 -201.318 -116.094 -201.319 -212.68 -107.665 -116.095 -107.665 -361.763 GPRESSURE: 613000 -168.756 -277.76 -100.824 -137.868 -170.427 -135.308 -113.014 -10.514 -313.638 PRESSAVG: 613000 -16.997 -47.5448 13.2553 -47.5448 -36.5651 50.324 13.2552 50.324 12.3597 GPRESSAVG: 613000 -18.9777 -49.2245 12.9863 -47.7885 -35.8768 51.7061 12.8593 52.255 13.6812 TIMING: 613000 CPU: 1929.22, 0.00312364/step Wall: 1929.22, 0.00312364/step, 3.80651 hours remaining, 234.207031 MB of memory in use. ENERGY: 613000 4009.2048 20414.6163 14484.7607 264.6099 -203687.4058 2411.2289 0.0000 0.0000 52304.0759 -109798.9094 300.5922 -162102.9853 -109439.3418 298.9306 -249.6151 -217.6070 759728.8203 -13.7341 -13.7244 PRESSURE: 613200 -415.544 -34.4995 -106.694 -34.4998 -368.22 -128.954 -106.693 -128.954 -29.6062 GPRESSURE: 613200 -358.587 -81.6515 -29.8572 61.9304 -331.864 -131.386 -214.135 -144.39 -55.509 PRESSAVG: 613200 23.0319 -33.5292 8.44426 -33.5293 -2.53555 -13.5464 8.44428 -13.5464 0.0441254 GPRESSAVG: 613200 24.187 -31.9446 8.50465 -35.6464 -2.49313 -15.2855 8.49481 -13.1391 -1.75177 TIMING: 613200 CPU: 1929.85, 0.00312422/step Wall: 1929.85, 0.00312422/step, 3.80704 hours remaining, 234.207031 MB of memory in use. ENERGY: 613200 4026.4443 20649.1315 14406.5029 265.4661 -203552.8254 2351.4653 0.0000 0.0000 52199.3172 -109654.4981 299.9902 -161853.8153 -109291.3022 299.6760 -271.1234 -248.6535 758701.0432 6.8468 6.6474 PRESSURE: 613400 -483.454 -364.595 -104.874 -364.595 -6.41048 -480.404 -104.875 -480.404 -375.579 GPRESSURE: 613400 -378.448 -254.178 -124.891 -261.954 36.3257 -360.944 -198.409 -435.983 -441.261 PRESSAVG: 613400 -42.1159 8.75343 -22.5397 8.75338 19.7618 -10.5598 -22.5396 -10.5598 -11.6634 GPRESSAVG: 613400 -42.8221 7.96599 -21.0813 8.78982 20.0133 -9.80962 -21.8917 -13.5107 -11.539 TIMING: 613400 CPU: 1930.47, 0.00312135/step Wall: 1930.47, 0.00312135/step, 3.80337 hours remaining, 234.207031 MB of memory in use. ENERGY: 613400 4048.9753 20644.4848 14526.4548 232.8011 -203349.3043 2230.9317 0.0000 0.0000 52000.3965 -109665.2601 298.8470 -161665.6567 -109304.7579 299.9325 -288.4809 -261.1276 758555.7475 -11.3392 -11.4493 PRESSURE: 613600 17.7589 82.284 354.533 82.2839 30.1718 -25.5163 354.534 -25.515 132.787 GPRESSURE: 613600 100.64 53.1916 373.019 62.2374 78.7131 12.8507 270.165 71.9586 119.105 PRESSAVG: 613600 -24.8136 17.7495 -33.1656 17.7495 5.64426 17.0436 -33.1657 17.0436 18.5715 GPRESSAVG: 613600 -24.5042 17.3795 -32.437 20.329 4.20241 17.6612 -33.794 18.4562 19.7997 TIMING: 613600 CPU: 1931.1, 0.00312909/step Wall: 1931.1, 0.00312909/step, 3.81262 hours remaining, 234.207031 MB of memory in use. ENERGY: 613600 4000.6561 20431.8302 14391.7777 270.3410 -203645.7250 2480.2112 0.0000 0.0000 52278.1584 -109792.7505 300.4433 -162070.9089 -109427.4415 299.7232 60.2392 99.4862 758478.2920 -0.1993 -0.1674 PRESSURE: 613800 -49.4061 92.5903 226.363 92.5907 181.55 390.354 226.363 390.353 230.565 GPRESSURE: 613800 42.541 -13.594 152.487 114.591 118.985 269.812 144.11 328.154 297.586 PRESSAVG: 613800 -112.778 -15.9278 43.801 -15.9278 70.4128 22.8486 43.801 22.8486 -17.7465 GPRESSAVG: 613800 -114.565 -16.7539 43.3591 -17.0714 71.9472 22.7203 44.5812 24.0903 -18.144 TIMING: 613800 CPU: 1931.72, 0.00312068/step Wall: 1931.72, 0.00312068/step, 3.80221 hours remaining, 234.207031 MB of memory in use. ENERGY: 613800 3956.2927 20750.3453 14441.2693 249.1415 -203499.5621 2393.2306 0.0000 0.0000 52044.3550 -109664.9276 299.0996 -161709.2826 -109311.8142 299.6711 120.9029 153.0374 758175.1284 -20.0374 -20.2540 PRESSURE: 614000 230.864 -257.646 14.5624 -257.646 285.905 348.302 14.5632 348.301 721.825 GPRESSURE: 614000 208.719 -194.512 -18.9597 -225.18 355.411 301.91 24.9443 365.568 745.129 PRESSAVG: 614000 -106.051 33.4117 1.85052 33.4117 104.09 35.9845 1.85057 35.9845 6.20377 GPRESSAVG: 614000 -105.126 35.1517 0.629959 33.7749 103.536 35.2832 3.52879 36.6379 5.7635 TIMING: 614000 CPU: 1932.35, 0.00314301/step Wall: 1932.35, 0.00314301/step, 3.82924 hours remaining, 234.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 614000 3913.7766 20654.5741 14460.2899 245.3949 -203620.5597 2569.2607 0.0000 0.0000 52168.0163 -109609.2473 299.8103 -161777.2635 -109251.7494 299.6494 412.8648 436.4195 760347.1124 1.4144 1.3912 PRESSURE: 614200 -29.2528 124.697 -16.1707 124.695 -560.869 -125.893 -16.1699 -125.894 -441.488 GPRESSURE: 614200 -86.1949 74.0555 109.359 9.03367 -400.734 -109.175 -78.2072 -80.7351 -461.846 PRESSAVG: 614200 -59.5726 0.622765 -43.4645 0.622821 86.9758 47.9844 -43.4645 47.9844 2.50163 GPRESSAVG: 614200 -60.5107 0.798907 -43.2831 -1.45219 87.1789 47.5739 -41.6513 48.1352 2.87364 TIMING: 614200 CPU: 1932.98, 0.00314484/step Wall: 1932.98, 0.00314484/step, 3.83129 hours remaining, 234.207031 MB of memory in use. ENERGY: 614200 4077.2378 20516.2296 14495.3813 248.0551 -203499.5648 2258.7789 0.0000 0.0000 52202.8096 -109701.0725 300.0103 -161903.8821 -109327.3721 299.6706 -343.8699 -316.2581 759515.5823 9.9683 9.8473 PRESSURE: 614400 -526.881 -23.5218 226.089 -23.522 172.345 -143.065 226.088 -143.065 -234.226 GPRESSURE: 614400 -464.469 5.85271 165.093 37.8182 231.749 -137.075 244.43 -153.313 -273.154 PRESSAVG: 614400 -68.6081 -22.6484 38.2086 -22.6484 74.4115 -10.9123 38.2086 -10.9124 -9.43067 GPRESSAVG: 614400 -66.7582 -23.1574 38.8638 -20.863 73.5686 -10.4057 36.5869 -12.8862 -10.5248 TIMING: 614400 CPU: 1933.61, 0.00313914/step Wall: 1933.61, 0.00313914/step, 3.82417 hours remaining, 234.191406 MB of memory in use. ENERGY: 614400 4019.3856 20533.5715 14394.4737 263.0672 -203569.2848 2312.9425 0.0000 0.0000 52061.5477 -109984.2967 299.1984 -162045.8444 -109631.1648 299.3345 -196.2541 -168.6246 760499.6448 -1.2091 -1.2381 PRESSURE: 614600 -199.543 215.848 23.2557 215.849 -196.086 192.165 23.2561 192.164 132.466 GPRESSURE: 614600 -167.262 147.758 100.096 229.31 -157.893 110.88 21.6833 211.75 148.618 PRESSAVG: 614600 -34.98 -53.9618 -6.14056 -53.9618 63.5239 -13.3195 -6.14061 -13.3195 20.2679 GPRESSAVG: 614600 -35.0207 -54.6015 -5.97336 -53.1401 64.1275 -13.2569 -5.89139 -11.2648 19.8228 TIMING: 614600 CPU: 1934.24, 0.0031753/step Wall: 1934.24, 0.0031753/step, 3.86804 hours remaining, 234.207031 MB of memory in use. ENERGY: 614600 4006.2302 20460.1773 14400.6454 236.0166 -203503.5233 2384.3277 0.0000 0.0000 52009.7332 -110006.3928 298.9007 -162016.1260 -109642.9863 299.1814 -87.7210 -58.8455 758542.7730 16.2706 16.3098 PRESSURE: 614800 117.224 -58.2519 -23.68 -58.2519 155.488 -138.665 -23.679 -138.667 -603.349 GPRESSURE: 614800 241.459 -51.0458 -131.046 -30.4186 90.1833 -111.694 -21.9312 -139.127 -571.845 PRESSAVG: 614800 -30.4469 -36.7038 18.5916 -36.7039 45.0677 -26.623 18.5916 -26.623 10.9186 GPRESSAVG: 614800 -31.2407 -36.0973 17.9291 -37.8962 44.8222 -24.7339 17.0091 -30.8266 11.586 TIMING: 614800 CPU: 1934.87, 0.00315949/step Wall: 1934.87, 0.00315949/step, 3.84861 hours remaining, 234.207031 MB of memory in use. ENERGY: 614800 3962.2836 20570.0562 14439.7259 241.7050 -203601.2030 2291.1722 0.0000 0.0000 52003.6862 -110092.5740 298.8659 -162096.2602 -109725.8758 298.8067 -110.2121 -80.0675 758978.6658 8.5131 8.3892 PRESSURE: 615000 -58.4235 -107.689 23.6487 -107.689 -305.05 -163.459 23.6478 -163.458 -382.989 GPRESSURE: 615000 -42.9327 -147.694 58.4272 -187.01 -209.113 -254.21 90.0344 -127.203 -403.968 PRESSAVG: 615000 24.1306 -25.5484 22.9938 -25.5484 -39.9659 -44.9653 22.9938 -44.9652 8.37545 GPRESSAVG: 615000 23.8161 -27.4575 24.2772 -24.8442 -39.5569 -46.5386 24.5315 -44.5513 8.22253 TIMING: 615000 CPU: 1935.5, 0.00313152/step Wall: 1935.5, 0.00313152/step, 3.81437 hours remaining, 234.207031 MB of memory in use. ENERGY: 615000 4052.8200 20646.9032 14472.7662 254.8933 -203799.9622 2281.4138 0.0000 0.0000 51998.4175 -110092.7482 298.8356 -162091.1657 -109736.7505 298.4762 -248.8207 -218.6710 758196.6795 -2.4866 -2.5061 PRESSURE: 615200 357.711 -152.971 -70.9233 -152.971 -133.139 -53.5375 -70.9232 -53.5366 466.538 GPRESSURE: 615200 414.9 -167.534 53.3929 -277.158 -19.7353 -127.951 -185.707 -78.3671 391.583 PRESSAVG: 615200 -16.6173 -67.2353 -24.0884 -67.2353 -15.9164 -14.2638 -24.0884 -14.2638 22.5681 GPRESSAVG: 615200 -16.1612 -66.1384 -24.7873 -67.8654 -15.5929 -16.0747 -24.2982 -11.617 21.836 TIMING: 615200 CPU: 1936.13, 0.00315641/step Wall: 1936.13, 0.00315641/step, 3.84451 hours remaining, 234.207031 MB of memory in use. ENERGY: 615200 3974.8347 20642.9135 14459.7215 235.3154 -203745.4975 2647.8431 0.0000 0.0000 51960.6055 -109824.2639 298.6183 -161784.8694 -109467.4424 298.8240 230.3699 262.2490 758280.3624 -3.3219 -3.3060 PRESSURE: 615400 126.499 -90.8286 -47.555 -90.8282 -584.19 -21.5036 -47.5543 -21.504 -28.1463 GPRESSURE: 615400 151.604 -178.031 -12.5897 -73.0304 -468.515 -7.16909 -122.886 -47.0376 -65.6809 PRESSAVG: 615400 43.0569 -4.59011 32.1567 -4.59007 2.11169 -0.861422 32.1567 -0.861401 2.06981 GPRESSAVG: 615400 43.1103 -3.26072 32.6622 -4.39334 3.06658 0.0642903 32.2046 -0.403554 1.61343 TIMING: 615400 CPU: 1936.76, 0.00314169/step Wall: 1936.76, 0.00314169/step, 3.82641 hours remaining, 234.191406 MB of memory in use. ENERGY: 615400 3994.4495 20579.3343 14401.8123 244.9423 -203711.7409 2605.1818 0.0000 0.0000 51918.1230 -109967.8977 298.3742 -161886.0206 -109615.3677 299.5150 -161.9458 -127.5306 760602.2405 15.7461 15.9301 PRESSURE: 615600 1.7045 -107.774 -99.1558 -107.774 164.177 -73.6048 -99.1557 -73.604 -148.15 GPRESSURE: 615600 -4.4046 -20.2823 -34.8742 -101.382 237.442 -15.741 -118.929 -187.062 -142.907 PRESSAVG: 615600 0.65619 -45.7366 31.3189 -45.7367 -6.5886 9.22631 31.3189 9.22625 19.5963 GPRESSAVG: 615600 0.156673 -47.8178 32.0511 -44.6056 -8.33614 9.77506 30.2283 7.75097 21.5059 TIMING: 615600 CPU: 1937.39, 0.00313422/step Wall: 1937.39, 0.00313422/step, 3.81713 hours remaining, 234.207031 MB of memory in use. ENERGY: 615600 3988.8286 20528.4082 14517.5516 249.8349 -203542.9181 2360.4100 0.0000 0.0000 52215.4561 -109682.4287 300.0829 -161897.8848 -109312.7903 299.6981 5.9105 30.0434 760225.8410 4.5546 4.4421 PRESSURE: 615800 -148.599 -252.346 -97.9551 -252.347 -251.951 -142.187 -97.9553 -142.186 -56.1518 GPRESSURE: 615800 -146.925 -245.852 -21.3608 -127.594 -219.141 -98.1952 -131.435 -105.995 30.5334 PRESSAVG: 615800 -39.8468 -23.3028 55.9461 -23.3028 -33.717 -11.5926 55.946 -11.5925 -7.21463 GPRESSAVG: 615800 -39.8619 -22.0869 56.0774 -23.7507 -32.908 -12.2711 56.6772 -10.7435 -7.69252 TIMING: 615800 CPU: 1938.01, 0.0031395/step Wall: 1938.01, 0.0031395/step, 3.82339 hours remaining, 234.207031 MB of memory in use. ENERGY: 615800 4013.0839 20504.7200 14488.0944 253.3220 -204230.5453 2778.0952 0.0000 0.0000 52280.7375 -109912.4922 300.4581 -162193.2297 -109554.5637 299.2589 -152.2339 -111.8441 759014.8396 -26.9261 -26.8208 PRESSURE: 616000 -170.8 33.8581 -32.4908 33.8583 -245.403 21.7773 -32.4905 21.7767 -207.41 GPRESSURE: 616000 -189.983 82.0548 -67.5588 -25.3396 -172.934 31.504 -133.836 -8.5401 -171.688 PRESSAVG: 616000 18.5026 1.96078 34.9036 1.96081 -30.072 -1.88669 34.9036 -1.8867 19.424 GPRESSAVG: 616000 17.8761 1.3378 34.3046 0.0366201 -30.3824 -0.324895 35.15 -2.72075 20.6644 TIMING: 616000 CPU: 1938.64, 0.0031205/step Wall: 1938.64, 0.0031205/step, 3.80008 hours remaining, 234.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 616000 3979.1633 20495.3972 14380.1347 256.2469 -203656.2045 2292.4979 0.0000 0.0000 52094.5474 -110158.2172 299.3881 -162252.7646 -109787.7113 298.7082 -207.8711 -178.2016 759436.0581 2.6182 2.7194 PRESSURE: 616200 33.4927 60.8978 -41.1767 60.8977 -207.147 -88.1568 -41.1766 -88.156 -35.3679 GPRESSURE: 616200 55.0498 -108.703 122.273 106.383 -143.634 -110.808 -66.5186 -40.8452 -8.66332 PRESSAVG: 616200 31.2464 -50.3498 47.3074 -50.3499 -45.9742 18.0214 47.3075 18.0214 7.0363 GPRESSAVG: 616200 31.5651 -51.9909 46.805 -48.725 -45.2149 17.2779 48.6992 19.0037 6.66058 TIMING: 616200 CPU: 1939.26, 0.00311513/step Wall: 1939.26, 0.00311513/step, 3.79336 hours remaining, 234.207031 MB of memory in use. ENERGY: 616200 4031.9803 20504.0343 14470.0445 241.1041 -203680.5024 2389.1618 0.0000 0.0000 51892.9271 -110151.2503 298.2294 -162044.1774 -109791.3802 298.2815 -69.6739 -32.4157 758184.6292 -2.5638 -2.3298 LDB: ============= START OF LOAD BALANCING ============== 1951.66 LDB: ============== END OF LOAD BALANCING =============== 1951.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1951.66 LDB: ============= START OF LOAD BALANCING ============== 1951.98 LDB: Largest compute 7056 load 0.033703 is 17.2% of average load 0.195900 LDB: Average compute 0.004377 is 2.2% of average load 0.195900 LDB: TIME 1951.99 LOAD: AVG 0.1959 MAX 0.220196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.219 MB LDB: TIME 1951.99 LOAD: AVG 0.1959 MAX 0.220196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.219 MB LDB: TIME 1951.99 LOAD: AVG 0.1959 MAX 0.217278 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.219 MB LDB: ============== END OF LOAD BALANCING =============== 1951.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1952 PRESSURE: 616400 -80.3357 132.469 201.145 132.469 41.0814 -71.2459 201.145 -71.2466 251.135 GPRESSURE: 616400 -54.7037 162.709 107.045 135.787 91.1601 -54.7843 70.0683 -105.119 266.362 PRESSAVG: 616400 4.4427 2.55587 47.5878 2.5559 -19.4402 4.01195 47.5879 4.01194 15.7516 GPRESSAVG: 616400 4.77598 5.29264 48.2085 -0.64078 -20.2064 4.05293 45.9923 2.99099 15.5936 TIMING: 616400 CPU: 1939.91, 0.00325964/step Wall: 1939.91, 0.00325964/step, 3.96915 hours remaining, 233.019531 MB of memory in use. ENERGY: 616400 3965.5169 20467.7080 14494.9867 247.4961 -203842.4977 2609.5289 0.0000 0.0000 52029.1246 -110028.1364 299.0121 -162057.2610 -109668.7055 298.2960 70.6269 100.9395 758832.9953 0.2513 0.0544 PRESSURE: 616600 -184.71 76.2062 54.1576 76.2062 46.0581 69.0782 54.1578 69.0779 -4.06284 GPRESSURE: 616600 -205.234 107.633 109.166 59.2768 131.648 73.8476 47.9944 -27.6973 20.6103 PRESSAVG: 616600 26.6287 -6.22711 24.7932 -6.22715 -32.3871 0.732055 24.7933 0.732075 15.8965 GPRESSAVG: 616600 26.8696 -8.96802 23.6105 -2.53981 -31.8046 0.586838 24.648 0.709209 15.4694 TIMING: 616600 CPU: 1940.54, 0.00314428/step Wall: 1940.54, 0.00314428/step, 3.82851 hours remaining, 233.277344 MB of memory in use. ENERGY: 616600 4011.6015 20532.4626 14402.0344 251.2484 -203387.0151 2184.6707 0.0000 0.0000 51923.2552 -110081.7422 298.4037 -162004.9974 -109719.0767 298.6677 -47.5716 -17.6586 760244.1743 3.3793 3.5115 PRESSURE: 616800 127.436 -43.544 -49.3198 -43.5442 -166.825 -124.79 -49.3196 -124.79 205.435 GPRESSURE: 616800 87.8193 -107.024 11.9975 -62.1211 -102.36 -127.787 -41.704 -287.697 260.407 PRESSAVG: 616800 9.496 -5.64646 51.2689 -5.64647 7.49069 -27.7493 51.269 -27.7493 17.7224 GPRESSAVG: 616800 8.88222 -4.54696 50.6723 -7.31588 7.41438 -27.0282 53.2415 -28.1704 18.2951 TIMING: 616800 CPU: 1941.17, 0.00313834/step Wall: 1941.17, 0.00313834/step, 3.8211 hours remaining, 233.277344 MB of memory in use. ENERGY: 616800 4006.6188 20384.1110 14443.4955 256.8825 -203634.8590 2774.0352 0.0000 0.0000 52040.2769 -109729.4391 299.0762 -161769.7160 -109363.0834 298.8589 55.3487 81.9553 761490.1626 11.5697 11.5306 PRESSURE: 617000 48.243 71.3402 -129.778 71.3412 265.816 25.3973 -129.778 25.3978 65.252 GPRESSURE: 617000 115.667 67.8893 -41.2835 -1.00238 251.091 6.59913 -200.752 25.2002 109.821 PRESSAVG: 617000 -37.204 -64.6928 26.0634 -64.6929 42.9397 -15.8468 26.0635 -15.8469 9.37848 GPRESSAVG: 617000 -35.2759 -64.0834 25.9391 -65.1594 41.1183 -15.9034 24.473 -15.3202 9.06636 TIMING: 617000 CPU: 1941.8, 0.00314633/step Wall: 1941.8, 0.00314633/step, 3.83066 hours remaining, 233.300781 MB of memory in use. ENERGY: 617000 4002.6180 20329.5412 14419.4081 223.0467 -203004.4772 2294.8240 0.0000 0.0000 51844.0501 -109890.9891 297.9485 -161735.0392 -109527.9282 298.9552 126.4371 158.8599 761456.8747 5.0381 4.9696 PRESSURE: 617200 204.239 -166.32 190.573 -166.32 195.837 87.6102 190.573 87.6104 334.166 GPRESSURE: 617200 297.462 -271.446 100.556 -158.664 191.527 73.2018 130.888 135.555 349.016 PRESSAVG: 617200 -12.4638 -23.6743 -1.16658 -23.6743 52.1734 -27.7461 -1.16652 -27.7461 -3.16386 GPRESSAVG: 617200 -14.2153 -24.7224 0.70774 -20.7064 54.4091 -26.6665 -1.08587 -26.071 -3.27141 TIMING: 617200 CPU: 1942.43, 0.0031552/step Wall: 1942.43, 0.0031552/step, 3.84128 hours remaining, 233.300781 MB of memory in use. ENERGY: 617200 3926.1316 20478.7045 14482.9416 233.9707 -203518.0436 2548.8941 0.0000 0.0000 52199.3017 -109648.0996 299.9901 -161847.4012 -109290.2879 299.6004 244.7476 279.3350 759371.7639 12.1819 12.3075 PRESSURE: 617400 236.958 -36.1869 -38.8031 -36.187 -41.2249 -139.742 -38.8039 -139.742 -201.596 GPRESSURE: 617400 243.642 -51.2058 -51.2994 -24.1838 22.8848 -164.227 -21.0507 -173.842 -194.214 PRESSAVG: 617400 -19.1635 -55.2831 17.5653 -55.2831 -33.1982 -38.0332 17.5653 -38.0331 -2.23033 GPRESSAVG: 617400 -18.3572 -54.1934 16.5595 -57.2691 -34.0126 -38.8412 19.0352 -41.0292 -2.51425 TIMING: 617400 CPU: 1943.06, 0.0031453/step Wall: 1943.06, 0.0031453/step, 3.82906 hours remaining, 233.312500 MB of memory in use. ENERGY: 617400 3943.0018 20582.9610 14396.1815 243.0928 -203331.7344 2363.2728 0.0000 0.0000 52230.2192 -109573.0052 300.1678 -161803.2244 -109213.6009 299.9746 -1.9542 24.1043 760454.4924 -18.1973 -18.2947 PRESSURE: 617600 313.936 -191.052 -169.954 -191.052 148.091 -19.6751 -169.953 -19.6749 -82.1616 GPRESSURE: 617600 305.365 -172.681 -232.414 -165.085 246.057 27.5003 -236.573 9.75172 -89.7799 PRESSAVG: 617600 32.5665 -48.3776 -4.19065 -48.3776 24.1165 12.4748 -4.19068 12.4749 1.96251 GPRESSAVG: 617600 32.6334 -47.3038 -2.18574 -46.9642 24.9398 13.0551 -6.11951 12.1769 1.62124 TIMING: 617600 CPU: 1943.68, 0.00313052/step Wall: 1943.68, 0.00313052/step, 3.81089 hours remaining, 233.312500 MB of memory in use. ENERGY: 617600 3937.0862 20733.2359 14480.7436 246.9733 -203461.4591 2604.8529 0.0000 0.0000 52071.1165 -109387.4506 299.2534 -161458.5671 -109032.9098 299.8270 126.6216 153.8806 759683.2806 19.5485 19.7315 PRESSURE: 617800 -320.627 -50.1351 -56.515 -50.1368 370.468 126.506 -56.5154 126.507 312.078 GPRESSURE: 617800 -243.306 -36.1401 -9.47575 16.1061 439.309 103.633 -4.18343 89.6021 244.736 PRESSAVG: 617800 0.904576 -56.8369 -55.0317 -56.8369 45.6535 -46.1021 -55.0316 -46.1021 17.431 GPRESSAVG: 617800 0.727852 -57.6297 -55.0952 -57.2263 47.0464 -46.1199 -54.7704 -46.0271 16.4637 TIMING: 617800 CPU: 1944.31, 0.00313681/step Wall: 1944.31, 0.0031368/step, 3.81836 hours remaining, 233.312500 MB of memory in use. ENERGY: 617800 4003.0072 20497.1358 14492.1635 246.3492 -203768.3140 2438.4289 0.0000 0.0000 52512.7333 -109578.4961 301.7914 -162091.2294 -109203.4011 300.2618 120.6397 146.9133 758133.9728 21.3297 21.4127 PRESSURE: 618000 85.9859 -178.765 -217.771 -178.765 -174.03 171.308 -217.771 171.307 -105.742 GPRESSURE: 618000 98.9049 -25.3552 -138.129 -145.773 -83.0175 90.8856 -122.096 147.949 -132.112 PRESSAVG: 618000 8.79922 16.1515 27.9231 16.1515 -45.5225 4.28959 27.9232 4.28959 12.4152 GPRESSAVG: 618000 9.24183 16.5407 26.8821 16.6315 -46.5736 4.4888 28.7359 4.62398 13.1593 TIMING: 618000 CPU: 1944.94, 0.00313152/step Wall: 1944.94, 0.00313152/step, 3.81176 hours remaining, 233.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 618000 4096.1872 20544.8747 14413.6520 252.0792 -203725.7585 2611.2061 0.0000 0.0000 51967.1168 -109840.6424 298.6557 -161807.7593 -109473.9920 299.4211 -64.5956 -38.7414 758443.5219 -8.1027 -8.0575 PRESSURE: 618200 -231.864 173.688 -57.7067 173.688 439.369 114.951 -57.7068 114.949 -41.7673 GPRESSURE: 618200 -223.227 166.509 -35.7189 -23.5824 478.116 27.241 -38.4485 -7.28484 -0.305678 PRESSAVG: 618200 -54.0639 -81.2732 33.1569 -81.2731 71.4937 39.5752 33.157 39.5752 21.3639 GPRESSAVG: 618200 -53.9357 -83.1199 31.2886 -82.7524 71.4798 38.5366 34.4299 39.4501 21.2327 TIMING: 618200 CPU: 1945.57, 0.00316686/step Wall: 1945.57, 0.00316686/step, 3.8546 hours remaining, 233.515625 MB of memory in use. ENERGY: 618200 3915.6955 20348.6772 14366.1556 235.4540 -203140.0749 2381.4293 0.0000 0.0000 52035.7251 -109856.9381 299.0500 -161892.6632 -109488.5099 299.1802 55.2460 84.8614 759589.5957 12.9312 12.9256 PRESSURE: 618400 -403.895 -172.279 3.68125 -172.279 -197.583 -73.2023 3.68223 -73.2024 -23.5043 GPRESSURE: 618400 -373.83 -76.7308 -20.4618 -182.646 -140.166 -118.487 96.1252 20.2453 -5.75146 PRESSAVG: 618400 -50.1318 -55.1518 -9.87832 -55.1519 36.6569 55.8506 -9.87837 55.8505 12.2825 GPRESSAVG: 618400 -49.9141 -52.7652 -8.19644 -54.3902 36.3772 54.4815 -11.927 55.3248 12.5774 TIMING: 618400 CPU: 1946.2, 0.00316364/step Wall: 1946.2, 0.00316364/step, 3.8505 hours remaining, 233.515625 MB of memory in use. ENERGY: 618400 3921.8511 20295.9144 14416.4721 244.2995 -202988.4750 2086.4077 0.0000 0.0000 52381.9814 -109641.5487 301.0400 -162023.5302 -109276.8001 299.1286 -208.3276 -173.2493 758852.9045 -0.3974 -0.3198 PRESSURE: 618600 -81.9536 -239.749 -233.806 -239.749 127.986 -38.0414 -233.806 -38.0424 -261.059 GPRESSURE: 618600 -41.1056 -248.316 -281.607 -157.831 55.5059 14.7084 -297.855 54.7535 -155.284 PRESSAVG: 618600 -40.5805 -16.8118 40.2261 -16.8118 62.3935 25.7578 40.2261 25.7578 -14.5664 GPRESSAVG: 618600 -41.2642 -19.155 40.4737 -15.689 62.128 27.96 39.7568 25.3635 -13.9754 TIMING: 618600 CPU: 1946.84, 0.00315573/step Wall: 1946.84, 0.00315573/step, 3.8407 hours remaining, 233.515625 MB of memory in use. ENERGY: 618600 3999.5068 20396.3229 14372.8782 244.1008 -203157.5070 2485.8490 0.0000 0.0000 52243.9152 -109414.9342 300.2465 -161658.8494 -109052.9777 298.9976 -71.6758 -46.9612 761548.7514 2.4155 2.2961 PRESSURE: 618800 -144.37 -45.0711 319.635 -45.072 -81.3806 -121.344 319.634 -121.344 -68.6579 GPRESSURE: 618800 -109.942 -55.3149 287.4 50.3852 69.4096 -67.6453 321.845 -197.016 -185.621 PRESSAVG: 618800 -41.4276 -38.5931 47.6339 -38.593 62.9239 -0.991545 47.634 -0.991535 -26.0137 GPRESSAVG: 618800 -41.1486 -37.721 47.5957 -38.1316 63.0718 -1.24403 47.3868 0.0596547 -26.5304 TIMING: 618800 CPU: 1947.46, 0.00314198/step Wall: 1947.46, 0.00314198/step, 3.82379 hours remaining, 233.515625 MB of memory in use. ENERGY: 618800 3941.4051 20530.8404 14476.8862 240.3172 -203135.5425 2340.1296 0.0000 0.0000 52182.0081 -109423.9560 299.8907 -161605.9640 -109075.1616 299.7085 -98.1360 -75.3845 760501.0316 -1.5058 -1.5357 PRESSURE: 619000 26.3246 -208.52 34.4759 -208.52 -27.6721 127.873 34.475 127.873 385.58 GPRESSURE: 619000 87.2865 -147.759 -1.08423 -143.536 66.4176 121.733 58.3748 18.0337 309.013 PRESSAVG: 619000 4.13488 -66.1819 1.40462 -66.1818 -0.439883 -29.5603 1.40461 -29.5603 -30.637 GPRESSAVG: 619000 3.25018 -65.8335 1.67426 -67.4034 0.423878 -31.9001 2.4061 -29.1911 -30.6481 TIMING: 619000 CPU: 1948.1, 0.003159/step Wall: 1948.1, 0.003159/step, 3.84432 hours remaining, 233.515625 MB of memory in use. ENERGY: 619000 4031.3098 20365.1402 14469.7657 228.7896 -203423.4411 2412.5812 0.0000 0.0000 52282.4401 -109633.4146 300.4679 -161915.8546 -109264.8793 299.7490 128.0774 154.2391 760441.4481 -8.9807 -8.9914 PRESSURE: 619200 -197.672 32.566 -126.19 32.5667 55.5544 -189.114 -126.19 -189.114 148.75 GPRESSURE: 619200 -149.778 -2.5991 -108.573 -41.6875 23.859 -101.479 -15.1517 -84.7464 206.845 PRESSAVG: 619200 -28.1102 -31.3588 17.8275 -31.3588 20.5356 -27.716 17.8275 -27.716 19.9578 GPRESSAVG: 619200 -27.9667 -33.162 17.386 -30.8051 20.6354 -25.1954 15.9097 -27.9434 19.3074 TIMING: 619200 CPU: 1948.72, 0.00313518/step Wall: 1948.72, 0.00313518/step, 3.81516 hours remaining, 233.515625 MB of memory in use. ENERGY: 619200 4011.3878 20417.6149 14425.9939 240.8599 -203710.3278 2838.3993 0.0000 0.0000 52218.2511 -109557.8210 300.0990 -161776.0720 -109196.9284 299.4064 2.2107 26.9751 761762.4315 4.1277 3.9920 PRESSURE: 619400 -60.1766 -155.145 44.4876 -155.145 -2.90935 -414.725 44.4877 -414.726 -13.0711 GPRESSURE: 619400 80.1411 -137.985 67.3317 -130.919 -24.6415 -424.708 87.3349 -329.494 -49.8507 PRESSAVG: 619400 -5.81751 -51.5097 9.89434 -51.5097 28.0642 -43.0796 9.89435 -43.0796 -16.1326 GPRESSAVG: 619400 -3.57816 -50.6117 10.8547 -53.5435 26.5984 -41.8923 12.4735 -44.4144 -16.4001 TIMING: 619400 CPU: 1949.35, 0.00313554/step Wall: 1949.35, 0.00313554/step, 3.81543 hours remaining, 233.515625 MB of memory in use. ENERGY: 619400 3939.9256 20623.7857 14388.5740 258.9889 -203057.4759 2234.5164 0.0000 0.0000 51986.4963 -109625.1890 298.7671 -161611.6854 -109252.0842 298.8413 -25.3857 1.8829 760395.2256 2.0381 2.2067 PRESSURE: 619600 -309.667 -103.447 16.3881 -103.447 -43.2634 -15.5131 16.3888 -15.5141 -142.702 GPRESSURE: 619600 -283.934 -32.2559 -84.0392 -118.752 2.65147 -28.0694 48.4695 15.4693 -132.268 PRESSAVG: 619600 37.3408 -35.8577 -14.5716 -35.8576 -5.69658 -44.9402 -14.5716 -44.9402 15.7097 GPRESSAVG: 619600 37.9885 -35.6177 -15.6106 -33.4295 -7.10576 -46.8858 -14.0435 -43.6645 16.9608 TIMING: 619600 CPU: 1949.98, 0.0031445/step Wall: 1949.98, 0.0031445/step, 3.82616 hours remaining, 233.515625 MB of memory in use. ENERGY: 619600 3971.3867 20513.7495 14491.6285 254.5910 -203073.4855 2026.2600 0.0000 0.0000 52288.1418 -109527.7281 300.5007 -161815.8699 -109153.2407 299.8472 -165.2108 -137.8501 759578.9508 15.7846 15.9478 PRESSURE: 619800 254.575 112.053 160.351 112.053 -138.013 -58.3693 160.351 -58.3688 -123.126 GPRESSURE: 619800 220.019 17.1589 57.2984 144.317 -78.4414 -39.4529 49.4231 -52.6482 -59.4829 PRESSAVG: 619800 -12.2361 -29.6913 29.6495 -29.6912 -7.25044 -48.5668 29.6494 -48.5667 19.0698 GPRESSAVG: 619800 -12.54 -29.4724 27.9495 -30.5863 -4.50545 -46.7441 29.3059 -48.9302 17.016 TIMING: 619800 CPU: 1950.61, 0.00313375/step Wall: 1950.61, 0.00313375/step, 3.8129 hours remaining, 233.515625 MB of memory in use. ENERGY: 619800 4050.6526 20567.7716 14507.3663 228.5464 -203077.4259 2320.6068 0.0000 0.0000 51958.0830 -109444.3992 298.6038 -161402.4822 -109075.9947 299.9855 -2.1881 27.3649 759366.3964 -0.1389 -0.0098 PRESSURE: 620000 119.873 40.4687 195.56 40.4697 6.13404 -107.288 195.559 -107.288 -81.6146 GPRESSURE: 620000 129.375 69.5699 185.473 -76.8838 85.2895 -55.4747 175.628 -133.86 -87.1296 PRESSAVG: 620000 37.8811 -45.6467 -11.1195 -45.6467 -44.5602 -14.1437 -11.1194 -14.1437 0.0599682 GPRESSAVG: 620000 36.4539 -46.1327 -7.94898 -45.0987 -45.7889 -15.6942 -13.5285 -15.9777 2.01794 TIMING: 620000 CPU: 1951.23, 0.00311819/step Wall: 1951.23, 0.00311819/step, 3.7938 hours remaining, 233.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 620000 4037.6749 20323.5082 14444.4018 253.6553 -203319.8103 2509.0791 0.0000 0.0000 52200.9884 -109550.5026 299.9998 -161751.4910 -109182.8894 299.8659 14.7976 42.5115 760636.8432 -2.2064 -2.4390 PRESSURE: 620200 172.673 -2.99729 -65.1191 -2.99781 -97.8047 102.833 -65.1199 102.833 179.355 GPRESSURE: 620200 235.274 13.3972 -93.23 -128.302 32.3675 97.5793 -175.766 93.1332 59.0634 PRESSAVG: 620200 62.4505 6.4683 38.8401 6.4683 -53.7375 51.7902 38.84 51.7903 13.9838 GPRESSAVG: 620200 63.3466 6.95827 37.5477 7.39969 -51.5963 52.1284 40.2143 51.2971 11.7837 TIMING: 620200 CPU: 1951.85, 0.0031246/step Wall: 1951.85, 0.0031246/step, 3.80143 hours remaining, 233.515625 MB of memory in use. ENERGY: 620200 3936.4186 20561.2159 14389.6006 268.3387 -203354.5108 2611.6626 0.0000 0.0000 51848.9370 -109738.3374 297.9766 -161587.2744 -109379.8175 299.1557 84.7412 108.9018 760155.9167 7.5656 7.8447 LDB: ============= START OF LOAD BALANCING ============== 1964.25 LDB: ============== END OF LOAD BALANCING =============== 1964.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1964.25 LDB: ============= START OF LOAD BALANCING ============== 1964.57 LDB: Largest compute 7056 load 0.034379 is 17.6% of average load 0.195852 LDB: Average compute 0.004364 is 2.2% of average load 0.195852 LDB: TIME 1964.57 LOAD: AVG 0.195852 MAX 0.214167 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 1964.57 LOAD: AVG 0.195852 MAX 0.214167 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.316 MB LDB: TIME 1964.57 LOAD: AVG 0.195852 MAX 0.214167 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.316 MB LDB: ============== END OF LOAD BALANCING =============== 1964.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1964.58 PRESSURE: 620400 -328.383 -86.3569 199.362 -86.3573 -190.475 95.9489 199.362 95.9495 -374.555 GPRESSURE: 620400 -282.333 115.358 190.36 -213.341 -227.497 123.748 247.001 127.85 -297.116 PRESSAVG: 620400 32.3463 0.989609 -21.3038 0.989607 42.2869 42.7205 -21.3038 42.7206 -6.20757 GPRESSAVG: 620400 32.2677 2.14236 -20.593 0.129916 41.079 43.5096 -22.1594 45.6671 -4.87331 TIMING: 620400 CPU: 1952.49, 0.00320136/step Wall: 1952.49, 0.00320136/step, 3.89463 hours remaining, 232.652344 MB of memory in use. ENERGY: 620400 3997.3601 20385.6593 14483.2309 241.3101 -203234.4028 2229.4191 0.0000 0.0000 52023.0732 -109874.3500 298.9773 -161897.4232 -109508.8694 299.2253 -297.8044 -268.9819 760794.7404 22.8085 22.8245 PRESSURE: 620600 -83.4446 -0.0873865 57.574 -0.0893061 -200.572 112.307 57.5746 112.308 232.106 GPRESSURE: 620600 -34.1127 -73.4306 -44.5024 21.3035 -115.137 87.3318 88.9305 81.0728 196.427 PRESSAVG: 620600 5.3138 -23.036 -50.1862 -23.036 2.37087 9.35944 -50.1863 9.35942 -8.01041 GPRESSAVG: 620600 5.45469 -23.6982 -52.6867 -22.0376 1.40629 10.0552 -48.4306 6.64011 -7.17321 TIMING: 620600 CPU: 1953.12, 0.00313034/step Wall: 1953.12, 0.00313034/step, 3.80806 hours remaining, 232.652344 MB of memory in use. ENERGY: 620600 4077.9063 20450.7400 14454.1813 238.2800 -204082.8261 2942.5769 0.0000 0.0000 51843.6142 -110075.5274 297.9460 -161919.1416 -109708.1962 298.9224 -17.3033 15.7258 758983.6684 -0.1086 -0.1041 PRESSURE: 620800 -296.462 118.803 -21.905 118.804 27.579 2.01655 -21.9046 2.01624 -385.281 GPRESSURE: 620800 -258.695 37.5792 -63.3496 39.1641 60.3752 3.79742 -101.198 57.1166 -375.101 PRESSAVG: 620800 -5.92181 -18.1296 30.2573 -18.1295 35.147 -44.4249 30.2572 -44.4248 4.50826 GPRESSAVG: 620800 -5.71124 -18.7929 31.1135 -19.5982 36.9952 -45.6321 29.9088 -43.2162 3.70872 TIMING: 620800 CPU: 1953.75, 0.0031254/step Wall: 1953.75, 0.0031254/step, 3.80188 hours remaining, 232.652344 MB of memory in use. ENERGY: 620800 4115.0355 20376.2984 14469.4791 243.4333 -203607.2866 2322.5494 0.0000 0.0000 51933.9297 -110146.5612 298.4650 -162080.4908 -109786.0869 298.7512 -218.0549 -191.1403 759865.1380 11.2445 11.6642 PRESSURE: 621000 -34.4724 -111.848 -51.2817 -111.849 -66.8118 116.216 -51.2817 116.216 -135.697 GPRESSURE: 621000 -9.47933 -70.8038 -22.3126 20.0079 -9.80646 150.382 48.4216 114.111 -134.606 PRESSAVG: 621000 -21.5298 26.6841 -1.61199 26.6841 33.2696 9.83679 -1.61194 9.83686 0.256896 GPRESSAVG: 621000 -19.8247 26.5662 -1.61418 29.3295 31.622 10.8119 -0.395442 7.77805 -0.0343564 TIMING: 621000 CPU: 1954.37, 0.0031308/step Wall: 1954.37, 0.0031308/step, 3.80828 hours remaining, 232.652344 MB of memory in use. ENERGY: 621000 3951.3153 20421.5613 14418.8051 249.5896 -203639.2539 2574.8028 0.0000 0.0000 51894.0382 -110129.1416 298.2358 -162023.1798 -109773.4311 298.2360 -78.9937 -51.2972 759811.9407 3.9989 3.9210 PRESSURE: 621200 -24.1424 -88.9266 -133.898 -88.9263 -9.95021 -179.443 -133.897 -179.443 -173.565 GPRESSURE: 621200 -7.54353 -116.082 -19.1006 -165.2 47.2185 -246.786 -172.914 -230.495 -162.72 PRESSAVG: 621200 -4.65002 -46.0221 -2.27758 -46.022 13.1876 3.88495 -2.27758 3.88503 28.7129 GPRESSAVG: 621200 -5.08105 -43.0143 -2.87315 -47.1916 12.7692 4.24083 -4.44657 5.82283 29.8288 TIMING: 621200 CPU: 1955, 0.00314548/step Wall: 1955, 0.00314548/step, 3.82595 hours remaining, 232.652344 MB of memory in use. ENERGY: 621200 3921.5984 20517.6356 14563.1973 265.3590 -203279.7375 2276.1132 0.0000 0.0000 51698.9083 -110036.9257 297.1143 -161735.8341 -109687.1044 298.9289 -69.2193 -41.0149 760079.6293 12.4168 12.5056 PRESSURE: 621400 178.463 117.303 19.4283 117.303 -3.36451 -110.163 19.4286 -110.162 -407.974 GPRESSURE: 621400 217.817 59.0484 26.6289 70.0616 74.6176 -112.896 65.0324 -135.73 -440.105 PRESSAVG: 621400 10.0002 -36.9587 63.6747 -36.9586 -16.6488 -32.2274 63.6747 -32.2274 -30.1299 GPRESSAVG: 621400 7.86262 -38.5715 65.4954 -40.675 -14.4567 -35.1174 62.9751 -31.1512 -29.9683 TIMING: 621400 CPU: 1955.64, 0.00317143/step Wall: 1955.64, 0.00317143/step, 3.85734 hours remaining, 232.652344 MB of memory in use. ENERGY: 621400 4014.9661 20539.2020 14448.6392 241.3057 -203996.3623 2872.2844 0.0000 0.0000 51944.8397 -109935.1251 298.5277 -161879.9648 -109570.0822 298.6610 -77.6252 -49.2237 761057.9149 -12.2595 -12.1875 PRESSURE: 621600 -287.329 -30.5413 133.57 -30.5412 -61.1184 -251.886 133.57 -251.886 -83.358 GPRESSURE: 621600 -225.112 -47.7164 229.747 16.0108 -71.1289 -131.316 122.352 -231.886 -46.9193 PRESSAVG: 621600 14.8047 -46.8881 42.415 -46.8881 17.4008 -7.43282 42.415 -7.43288 -24.1969 GPRESSAVG: 621600 16.2603 -46.8238 39.9795 -44.8046 16.7361 -8.09705 45.6204 -7.41176 -24.6909 TIMING: 621600 CPU: 1956.26, 0.00314243/step Wall: 1956.26, 0.00314243/step, 3.82189 hours remaining, 232.652344 MB of memory in use. ENERGY: 621600 3978.6903 20562.8224 14435.6402 258.8879 -203678.8423 2381.9290 0.0000 0.0000 52033.9352 -110026.9373 299.0397 -162060.8725 -109663.7071 298.5908 -143.9353 -114.3866 761421.1647 2.6695 2.7685 PRESSURE: 621800 54.0615 -91.1362 -132.285 -91.137 5.43464 -104.358 -132.285 -104.358 -168.056 GPRESSURE: 621800 159.76 -160.951 -8.87134 -143.246 -6.50937 -63.0927 -213.461 -97.664 -167.235 PRESSAVG: 621800 -44.4277 -22.0993 33.6653 -22.0994 0.555291 0.700825 33.6653 0.700772 5.8817 GPRESSAVG: 621800 -42.3365 -22.0867 34.2894 -23.9713 -1.01282 3.10418 29.7545 -0.641291 5.32661 TIMING: 621800 CPU: 1956.9, 0.00317172/step Wall: 1956.9, 0.00317172/step, 3.85734 hours remaining, 232.652344 MB of memory in use. ENERGY: 621800 4012.0387 20422.4052 14397.2831 255.3948 -203716.7893 2658.3196 0.0000 0.0000 51931.2169 -110040.1309 298.4494 -161971.3478 -109687.2344 298.3713 -36.1865 -4.6616 761735.8622 -12.6636 -12.6742 PRESSURE: 622000 -119.777 98.6659 59.4516 98.6663 -220.316 72.2986 59.4519 72.2992 -161.568 GPRESSURE: 622000 -150.99 111.257 36.5531 23.045 -148.486 117.219 81.0241 -31.7251 -121.104 PRESSAVG: 622000 10.5531 9.04528 -16.7005 9.04527 21.3075 -38.7507 -16.7006 -38.7506 11.5169 GPRESSAVG: 622000 8.10379 9.69345 -17.9105 11.9094 23.4536 -39.9485 -15.0182 -36.168 11.4917 TIMING: 622000 CPU: 1957.53, 0.00313627/step Wall: 1957.53, 0.00313627/step, 3.81405 hours remaining, 232.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 622000 4010.1682 20493.1469 14440.9327 241.1363 -203995.1284 2586.6737 0.0000 0.0000 51953.1553 -110269.9152 298.5755 -162223.0704 -109916.8790 298.0929 -167.2203 -140.1935 758636.2633 14.4592 14.3497 PRESSURE: 622200 -8.12583 163.199 -165.569 163.199 -226.904 -305.321 -165.569 -305.32 -87.08 GPRESSURE: 622200 35.2114 137.995 -47.289 159.331 -229.335 -369.768 -167.775 -203.234 -28.9716 PRESSAVG: 622200 17.6332 13.9436 -10.8379 13.9437 9.99985 23.611 -10.8379 23.6109 -12.5168 GPRESSAVG: 622200 17.8399 11.5622 -9.42923 14.3815 9.18121 26.1488 -12.4348 20.014 -11.1659 TIMING: 622200 CPU: 1958.15, 0.00312812/step Wall: 1958.15, 0.00312812/step, 3.80396 hours remaining, 232.652344 MB of memory in use. ENERGY: 622200 3980.8570 20325.9867 14449.5985 253.1861 -203873.1402 2738.7477 0.0000 0.0000 51851.1684 -110273.5959 297.9894 -162124.7643 -109902.5567 297.8413 -107.3698 -74.3651 760345.4668 5.0388 5.2851 PRESSURE: 622400 -359.558 137.695 163.544 137.695 -214.756 -72.081 163.544 -72.0822 -119.011 GPRESSURE: 622400 -211.913 144.606 210.477 101.837 -299.223 8.38465 148.76 -118.301 -105.561 PRESSAVG: 622400 42.951 21.9796 38.233 21.9797 -90.9333 3.73314 38.233 3.73311 13.9665 GPRESSAVG: 622400 43.3502 24.4934 38.2173 19.3427 -90.3056 0.787361 40.2083 4.79347 13.7484 TIMING: 622400 CPU: 1958.78, 0.00312097/step Wall: 1958.78, 0.00312097/step, 3.7951 hours remaining, 232.652344 MB of memory in use. ENERGY: 622400 3951.9916 20392.3984 14477.8529 229.2405 -203414.2734 2491.1029 0.0000 0.0000 51879.3079 -109992.3791 298.1511 -161871.6870 -109638.9012 298.3172 -231.1081 -205.5657 761309.7326 -11.3386 -11.0690 PRESSURE: 622600 -26.8232 168.381 115.401 168.382 86.2733 -130.306 115.401 -130.307 -313.186 GPRESSURE: 622600 13.411 139.114 201.201 30.9358 94.4882 -131.061 164.867 -260.972 -284.564 PRESSAVG: 622600 10.3336 15.787 -6.78233 15.787 -38.1406 -6.00001 -6.78237 -6.00003 -6.94034 GPRESSAVG: 622600 11.4562 13.6348 -7.18276 18.0087 -38.7229 -4.83667 -7.64536 -6.29393 -7.45727 TIMING: 622600 CPU: 1959.4, 0.00314/step Wall: 1959.4, 0.00314/step, 3.81807 hours remaining, 232.652344 MB of memory in use. ENERGY: 622600 4013.5893 20287.7103 14476.5882 232.0062 -203332.5165 2382.7606 0.0000 0.0000 52030.4931 -109909.3688 299.0200 -161939.8619 -109537.9945 298.2757 -84.5786 -58.8884 759856.3941 -11.5825 -11.5747 PRESSURE: 622800 -257.036 -42.317 39.7532 -42.3169 -126.165 35.9019 39.753 35.9012 -273.952 GPRESSURE: 622800 -184.975 90.9468 90.8461 -27.8331 -66.3606 -70.8128 72.0151 -50.1397 -319.079 PRESSAVG: 622800 23.2374 -28.2149 -5.18198 -28.2149 -29.9818 25.2277 -5.18202 25.2277 -7.41054 GPRESSAVG: 622800 22.4139 -26.0023 -5.22493 -30.6141 -30.5249 23.8965 -7.08547 24.0861 -6.22329 TIMING: 622800 CPU: 1960.03, 0.00313192/step Wall: 1960.03, 0.00313192/step, 3.80806 hours remaining, 232.652344 MB of memory in use. ENERGY: 622800 4048.8075 20330.4181 14489.7619 241.1643 -203463.5818 2488.7371 0.0000 0.0000 51846.8883 -110017.8047 297.9648 -161864.6929 -109648.1264 298.2790 -219.0511 -190.1381 759256.1930 -4.7183 -4.7781 PRESSURE: 623000 155.339 -54.8203 -50.1836 -54.8211 67.803 109.138 -50.1841 109.138 -15.7613 GPRESSURE: 623000 205.798 -70.2702 -80.5702 -68.1658 106.229 126.932 -39.3488 64.9016 -22.9482 PRESSAVG: 623000 82.9984 -11.5423 -16.3657 -11.5423 -81.0982 -27.0187 -16.3657 -27.0187 -10.6084 GPRESSAVG: 623000 83.5852 -12.008 -17.1616 -9.20949 -80.7403 -26.9807 -14.7821 -27.4065 -11.7028 TIMING: 623000 CPU: 1960.66, 0.00316103/step Wall: 1960.66, 0.00316103/step, 3.84328 hours remaining, 232.855469 MB of memory in use. ENERGY: 623000 3935.1730 20543.2730 14419.9608 244.0947 -203567.1470 2680.9938 0.0000 0.0000 51874.7917 -109868.8600 298.1251 -161743.6517 -109518.4127 298.2444 69.1270 96.3596 758229.5771 -2.9027 -2.9526 PRESSURE: 623200 68.0577 165.402 161.31 165.402 -113.43 -136.479 161.309 -136.478 32.4716 GPRESSURE: 623200 118.844 171.482 172.685 83.4001 -155.844 -159.227 232.157 -13.236 94.5112 PRESSAVG: 623200 32.3454 2.00427 -31.9986 2.00426 -32.3922 41.2784 -31.9985 41.2785 10.4018 GPRESSAVG: 623200 30.4207 0.724987 -29.77 2.36955 -31.7496 41.1848 -32.0991 44.38 11.6159 TIMING: 623200 CPU: 1961.29, 0.00314107/step Wall: 1961.29, 0.00314107/step, 3.81884 hours remaining, 232.855469 MB of memory in use. ENERGY: 623200 3945.8411 20344.2883 14510.6464 254.5910 -202973.3306 2123.9052 0.0000 0.0000 52075.7759 -109718.2827 299.2802 -161794.0586 -109358.8258 298.5478 -4.3002 19.1703 759279.7586 3.4517 3.4290 PRESSURE: 623400 60.8825 92.4314 127.221 92.4314 -80.2903 2.37783 127.22 2.37834 -280.118 GPRESSURE: 623400 14.5327 62.2437 162.456 160.712 8.79107 94.9332 -30.9761 78.2898 -248.507 PRESSAVG: 623400 43.3963 24.5212 13.0117 24.5213 -42.633 -35.5269 13.0118 -35.5269 31.3555 GPRESSAVG: 623400 43.9173 23.5825 11.3681 24.868 -43.0053 -35.7016 13.0984 -36.6221 31.3329 TIMING: 623400 CPU: 1961.92, 0.00313653/step Wall: 1961.92, 0.00313653/step, 3.81315 hours remaining, 232.855469 MB of memory in use. ENERGY: 623400 4075.8140 20445.8084 14464.3016 211.3883 -203383.2543 2509.0851 0.0000 0.0000 52009.3423 -109667.5146 298.8984 -161676.8568 -109299.9699 298.8334 -99.8418 -75.0610 759387.4561 10.7063 10.7483 PRESSURE: 623600 -7.53561 -31.9287 -275.334 -31.9288 18.9446 -75.4845 -275.334 -75.4842 142.189 GPRESSURE: 623600 61.9365 -97.1391 -286.39 -116.767 55.48 -35.3074 -131.242 173.32 128.032 PRESSAVG: 623600 62.7751 9.86539 13.4754 9.86539 -45.5598 36.4664 13.4755 36.4664 12.9892 GPRESSAVG: 623600 64.1014 10.7227 13.5468 7.5954 -46.2997 37.3824 12.3469 34.8262 12.303 TIMING: 623600 CPU: 1962.55, 0.00317333/step Wall: 1962.55, 0.00317333/step, 3.85771 hours remaining, 232.855469 MB of memory in use. ENERGY: 623600 3880.5097 20510.9994 14509.7454 245.2252 -203783.1826 2755.0968 0.0000 0.0000 52185.0708 -109696.5353 299.9083 -161881.6061 -109330.4494 298.9256 51.1994 81.8161 759960.6598 10.0682 10.0349 PRESSURE: 623800 -198.761 13.4437 22.9972 13.4433 -122.237 -150.403 22.9969 -150.402 269.384 GPRESSURE: 623800 -174.494 95.1199 34.967 -25.1238 -25.3243 -135.629 -54.0562 -125.638 248.493 PRESSAVG: 623800 31.4477 -6.87208 -23.9895 -6.87204 -44.3804 25.4685 -23.9894 25.4684 -5.12143 GPRESSAVG: 623800 31.0672 -7.8849 -24.3404 -6.59346 -45.0024 25.365 -22.6046 29.4279 -4.34861 TIMING: 623800 CPU: 1963.18, 0.00315043/step Wall: 1963.18, 0.00315043/step, 3.8297 hours remaining, 232.855469 MB of memory in use. ENERGY: 623800 3943.7903 20493.6129 14442.8536 264.0137 -203586.3908 2604.9127 0.0000 0.0000 52287.4227 -109549.7848 300.4965 -161837.2075 -109189.6929 299.5064 -17.2045 16.2249 760314.3432 -6.0180 -6.0946 PRESSURE: 624000 -329.654 63.8902 115.411 63.8896 -52.2191 322.487 115.411 322.488 -169.619 GPRESSURE: 624000 -339.601 186.478 70.2348 -46.5974 -53.3467 292.6 93.5907 246.24 -92.4534 PRESSAVG: 624000 11.7712 -11.5795 42.9772 -11.5795 29.0654 12.0458 42.9772 12.0458 -15.1847 GPRESSAVG: 624000 10.7271 -10.8649 45.1293 -12.1872 30.4785 10.095 40.2623 9.16834 -15.5033 TIMING: 624000 CPU: 1963.82, 0.0031799/step Wall: 1963.82, 0.0031799/step, 3.86535 hours remaining, 232.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 624000 4077.2784 20447.4694 14408.2571 267.8308 -203553.4383 2545.9450 0.0000 0.0000 52185.3495 -109621.3080 299.9099 -161806.6575 -109246.5145 299.3537 -183.8307 -161.8003 760478.6816 8.5506 8.5674 PRESSURE: 624200 133.498 136.727 55.7472 136.727 120.837 -69.8023 55.7483 -69.8022 -47.254 GPRESSURE: 624200 94.5887 49.5445 74.7121 31.1359 179.733 9.81931 83.216 -40.996 19.5003 PRESSAVG: 624200 -10.9073 -20.2989 46.4239 -20.2989 -2.35827 2.54182 46.4239 2.54188 -14.0772 GPRESSAVG: 624200 -11.7409 -19.9183 45.5441 -20.0911 -2.10903 4.10095 46.7553 3.80445 -14.2364 TIMING: 624200 CPU: 1964.46, 0.003189/step Wall: 1964.46, 0.003189/step, 3.87623 hours remaining, 232.855469 MB of memory in use. ENERGY: 624200 3889.0543 20431.6557 14491.1867 229.8953 -203283.9931 2492.8877 0.0000 0.0000 52196.4652 -109552.8482 299.9738 -161749.3134 -109184.0096 299.5789 69.0271 97.9405 759430.4753 -9.1143 -9.3621 LDB: ============= START OF LOAD BALANCING ============== 1976.86 LDB: ============== END OF LOAD BALANCING =============== 1976.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1976.86 LDB: ============= START OF LOAD BALANCING ============== 1977.18 LDB: Largest compute 7038 load 0.032085 is 16.4% of average load 0.195786 LDB: Average compute 0.004359 is 2.2% of average load 0.195786 LDB: TIME 1977.18 LOAD: AVG 0.195786 MAX 0.215737 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 1977.18 LOAD: AVG 0.195786 MAX 0.215737 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: TIME 1977.18 LOAD: AVG 0.195786 MAX 0.215737 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: ============== END OF LOAD BALANCING =============== 1977.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1977.19 PRESSURE: 624400 -162.221 -80.848 58.5571 -80.8474 -145.27 -199.163 58.5562 -199.163 7.7877 GPRESSURE: 624400 -93.0527 -86.0271 70.1892 -43.4523 -165.324 -175.123 139.498 -156.933 41.5445 PRESSAVG: 624400 23.7853 -30.1402 -29.325 -30.1402 58.1966 -31.7856 -29.325 -31.7857 7.966 GPRESSAVG: 624400 24.1107 -30.2222 -30.1754 -27.5 58.1136 -32.6479 -26.6803 -32.3236 7.31706 TIMING: 624400 CPU: 1965.11, 0.00324974/step Wall: 1965.11, 0.00324974/step, 3.94988 hours remaining, 233.218750 MB of memory in use. ENERGY: 624400 3991.8856 20382.7047 14388.3041 254.4116 -203299.1641 2532.8805 0.0000 0.0000 52076.7245 -109672.2530 299.2857 -161748.9775 -109305.3137 299.6951 -99.9012 -72.2773 760947.3798 29.9826 29.8471 PRESSURE: 624600 -246.497 -50.5353 -47.0456 -50.5349 -70.9449 -122.637 -47.046 -122.637 199.365 GPRESSURE: 624600 -201.345 -60.9304 -129.028 4.21957 -41.3963 -158.452 -7.33588 -81.7936 210.612 PRESSAVG: 624600 55.1917 -43.0393 2.74606 -43.0393 -5.8513 -100.957 2.74602 -100.957 -9.18953 GPRESSAVG: 624600 55.4704 -44.6031 4.5994 -44.2754 -6.49558 -101.422 1.60304 -100.81 -8.94314 TIMING: 624600 CPU: 1965.74, 0.00317906/step Wall: 1965.74, 0.00317907/step, 3.8638 hours remaining, 233.273438 MB of memory in use. ENERGY: 624600 4004.7341 20569.5228 14420.9906 243.0685 -203722.1662 2602.6186 0.0000 0.0000 52244.4339 -109636.7977 300.2495 -161881.2316 -109286.3638 299.8787 -39.3591 -10.7097 760332.2267 13.3836 13.3439 PRESSURE: 624800 92.5411 51.7059 215.404 51.706 -72.2985 -153.131 215.405 -153.131 344.326 GPRESSURE: 624800 185.273 24.7642 244.333 4.03011 -22.3814 -31.2062 233.513 -171.564 307.696 PRESSAVG: 624800 41.073 -8.9878 -34.7721 -8.98783 -61.6109 -20.3262 -34.772 -20.3262 11.191 GPRESSAVG: 624800 40.9454 -8.65085 -36.8696 -9.8937 -61.1749 -19.0641 -34.6397 -18.877 11.0234 TIMING: 624800 CPU: 1966.38, 0.00319773/step Wall: 1966.38, 0.00319773/step, 3.88631 hours remaining, 233.511719 MB of memory in use. ENERGY: 624800 3956.9887 20534.8745 14410.4333 234.0964 -203210.2877 2602.9615 0.0000 0.0000 52092.5387 -109378.3946 299.3765 -161470.9333 -109017.0670 299.5764 121.5230 156.8628 760548.5331 -3.1156 -3.0687 PRESSURE: 625000 169.093 -126.927 283.758 -126.926 -110.579 216.224 283.758 216.224 268.292 GPRESSURE: 625000 238.347 -46.3405 239.823 -152.431 -19.3154 154.528 224.889 340.867 177.946 PRESSAVG: 625000 20.7542 -21.0737 -4.13451 -21.0737 -2.32895 29.4036 -4.13455 29.4035 -8.92575 GPRESSAVG: 625000 21.9698 -20.3354 -3.68948 -21.39 -3.34598 29.8066 -5.13399 27.1722 -9.043 TIMING: 625000 CPU: 1967.01, 0.00313334/step Wall: 1967.01, 0.00313334/step, 3.80788 hours remaining, 233.511719 MB of memory in use. ENERGY: 625000 3965.3954 20502.1264 14504.0585 246.5677 -203186.4428 2527.3085 0.0000 0.0000 52100.2309 -109340.7554 299.4207 -161440.9863 -108990.7390 299.9905 108.9352 132.3260 761807.0731 3.1665 3.1936 PRESSURE: 625200 174.841 -20.3083 -147.868 -20.3086 -208.744 -112.2 -147.868 -112.2 -108.574 GPRESSURE: 625200 257.971 25.6413 -123.167 -105.648 -260.744 -83.573 -128.217 -39.6535 -59.8051 PRESSAVG: 625200 -11.7027 -29.078 -31.3598 -29.0779 -31.2067 13.9671 -31.3599 13.9671 11.0361 GPRESSAVG: 625200 -12.6437 -26.864 -30.8734 -29.3156 -30.8869 13.9366 -30.543 13.7305 11.6632 TIMING: 625200 CPU: 1967.63, 0.00313003/step Wall: 1967.63, 0.00313003/step, 3.80368 hours remaining, 233.511719 MB of memory in use. ENERGY: 625200 4063.2458 20469.3197 14471.8119 276.3063 -203574.3086 2728.1844 0.0000 0.0000 52173.0959 -109392.3446 299.8395 -161565.4405 -109032.4027 300.1933 -47.4923 -20.8594 762209.0471 -10.6244 -10.6225 PRESSURE: 625400 -441.688 93.4176 131.89 93.417 -277.592 86.158 131.89 86.1572 -234.649 GPRESSURE: 625400 -507.49 86.9127 117.609 82.2252 -154.433 68.7414 180.461 105.989 -188.227 PRESSAVG: 625400 10.2151 8.31159 -32.0143 8.31169 -53.9588 27.7015 -32.0143 27.7015 20.6381 GPRESSAVG: 625400 10.9605 6.6804 -30.6767 9.04806 -53.1902 27.6552 -34.0032 28.2145 19.9314 TIMING: 625400 CPU: 1968.26, 0.00313404/step Wall: 1968.26, 0.00313404/step, 3.80838 hours remaining, 233.511719 MB of memory in use. ENERGY: 625400 3945.1902 20376.8283 14481.9101 234.1395 -202820.8835 2274.3689 0.0000 0.0000 52094.9468 -109413.4998 299.3904 -161508.4466 -109054.5694 300.0931 -317.9764 -283.3835 762391.9842 -7.7018 -7.4328 PRESSURE: 625600 55.7009 -96.7737 -310.786 -96.7729 -292.069 -135.499 -310.787 -135.498 0.741285 GPRESSURE: 625600 70.468 83.0368 -253.102 -134.216 -242.261 -92.5365 -173.312 -157.166 26.2803 PRESSAVG: 625600 41.4447 -45.2133 -12.0395 -45.2132 -41.0036 11.0286 -12.0395 11.0287 30.9578 GPRESSAVG: 625600 41.0956 -44.3186 -14.317 -43.6507 -41.1681 12.9319 -9.71681 9.97511 31.108 TIMING: 625600 CPU: 1968.89, 0.00313482/step Wall: 1968.89, 0.00313483/step, 3.80916 hours remaining, 233.511719 MB of memory in use. ENERGY: 625600 4008.8894 20501.6512 14440.0124 233.0391 -203263.3874 2427.7117 0.0000 0.0000 52160.2117 -109491.8719 299.7655 -161652.0836 -109128.3577 299.8854 -78.5423 -48.5042 762023.7243 10.4663 10.3451 PRESSURE: 625800 -55.0593 65.5883 170.013 65.5884 62.5703 201.22 170.014 201.221 278.463 GPRESSURE: 625800 -90.1701 -53.1939 115.14 -3.82174 190.397 205.452 142.918 216.36 309.515 PRESSAVG: 625800 1.40843 17.9647 41.5911 17.9648 -42.7273 7.23047 41.591 7.23045 11.8289 GPRESSAVG: 625800 2.53546 15.9961 42.2781 17.7729 -44.0059 4.90965 40.7977 8.16172 11.9528 TIMING: 625800 CPU: 1969.52, 0.0031451/step Wall: 1969.52, 0.0031451/step, 3.82147 hours remaining, 233.511719 MB of memory in use. ENERGY: 625800 3972.9929 20434.6794 14441.6828 244.2373 -203252.3569 2509.6797 0.0000 0.0000 52009.6176 -109639.4673 298.9000 -161649.0849 -109272.7626 299.3425 95.3248 136.5808 762213.2763 -9.8300 -9.8392 PRESSURE: 626000 102.246 -89.8979 45.5985 -89.8975 30.2161 116.429 45.5984 116.429 95.7458 GPRESSURE: 626000 102.586 49.368 34.6281 -186.225 92.4532 195.803 241.635 125.933 128.981 PRESSAVG: 626000 89.369 7.28891 39.3201 7.28892 -58.7918 49.2124 39.3199 49.2124 15.5927 GPRESSAVG: 626000 87.6575 6.83441 38.9294 6.81269 -58.706 48.5556 39.0124 50.4976 16.7563 TIMING: 626000 CPU: 1970.15, 0.00315934/step Wall: 1970.15, 0.00315934/step, 3.8386 hours remaining, 233.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 626000 3920.8578 20407.5410 14412.5882 253.0141 -203310.8654 2600.5792 0.0000 0.0000 51999.4622 -109716.8228 298.8416 -161716.2850 -109357.5981 299.3302 76.0692 108.0067 762570.6758 15.3900 15.2359 PRESSURE: 626200 -67.3955 -138.155 162.402 -138.155 -150.454 -8.21624 162.403 -8.21522 289.739 GPRESSURE: 626200 -135.361 -37.2345 157.113 -219.834 -14.0639 -105.026 187.908 9.94493 300.203 PRESSAVG: 626200 29.4892 49.9359 -8.88838 49.9358 -48.1867 19.6715 -8.8884 19.6715 -15.8273 GPRESSAVG: 626200 29.5491 52.4412 -9.78511 51.2355 -47.2838 20.9494 -8.39534 19.2944 -16.5853 TIMING: 626200 CPU: 1970.78, 0.00313263/step Wall: 1970.78, 0.00313263/step, 3.80597 hours remaining, 233.511719 MB of memory in use. ENERGY: 626200 3969.4456 20437.3435 14381.5572 260.4441 -203573.8325 2659.1164 0.0000 0.0000 52173.4166 -109692.5090 299.8413 -161865.9256 -109333.1259 298.7099 23.9632 50.2595 761407.9089 -11.5083 -11.4400 PRESSURE: 626400 -87.7447 -69.7718 -170.559 -69.7719 24.9023 -109.834 -170.56 -109.835 -500.113 GPRESSURE: 626400 -178.771 -107.096 -166.555 61.0909 73.3479 -210.082 -147.659 -145.219 -377.159 PRESSAVG: 626400 39.6662 20.3525 -6.74553 20.3525 -38.4236 -20.8927 -6.74546 -20.8927 -12.3717 GPRESSAVG: 626400 39.0911 18.514 -5.55681 19.605 -37.8127 -20.821 -6.80715 -21.314 -12.6871 TIMING: 626400 CPU: 1971.4, 0.00313627/step Wall: 1971.4, 0.00313627/step, 3.81022 hours remaining, 233.511719 MB of memory in use. ENERGY: 626400 3929.2186 20378.6558 14399.5295 248.1574 -203128.6282 2399.4401 0.0000 0.0000 52137.7459 -109635.8810 299.6363 -161773.6268 -109272.2300 299.0364 -187.6517 -160.8608 763033.7218 -3.7097 -3.8029 PRESSURE: 626600 -115.152 -124.055 137.967 -124.054 -376.844 314.003 137.966 314.003 -134.618 GPRESSURE: 626600 -45.5096 -64.0781 93.4381 -75.3111 -317.495 422.731 156.945 274.233 -160.509 PRESSAVG: 626600 15.2777 36.2074 1.11898 36.2075 -18.8988 4.51357 1.11901 4.51362 -16.2148 GPRESSAVG: 626600 16.1522 35.6496 -0.283003 36.8449 -19.9172 5.90815 1.33518 4.63673 -15.9431 TIMING: 626600 CPU: 1972.03, 0.00311856/step Wall: 1972.03, 0.00311856/step, 3.78853 hours remaining, 233.511719 MB of memory in use. ENERGY: 626600 3981.8215 20348.0121 14475.9592 248.4543 -203359.5774 2504.7015 0.0000 0.0000 52238.5646 -109562.0642 300.2157 -161800.6288 -109186.1513 299.1205 -208.8715 -174.5045 762145.9383 -6.6120 -6.5694 PRESSURE: 626800 -202.781 57.9438 83.4091 57.9438 165.636 -32.1438 83.4082 -32.1439 -52.8866 GPRESSURE: 626800 -26.4206 0.509862 68.0849 -8.01604 87.7654 -48.1885 105.362 -35.1502 -61.7897 PRESSAVG: 626800 12.978 3.89999 -0.924139 3.89999 30.2402 18.2483 -0.924167 18.2482 -16.4579 GPRESSAVG: 626800 12.7492 4.12449 0.24196 3.52127 30.811 16.0962 -0.0853783 16.8041 -17.3481 TIMING: 626800 CPU: 1972.65, 0.00313593/step Wall: 1972.65, 0.00313593/step, 3.80946 hours remaining, 233.511719 MB of memory in use. ENERGY: 626800 4008.8209 20671.7144 14459.5109 238.0363 -203261.5786 2439.0061 0.0000 0.0000 51838.3022 -109606.1878 297.9154 -161444.4900 -109247.5464 299.4885 -30.0104 -0.1483 761600.7857 8.9201 8.7374 PRESSURE: 627000 -105.573 21.3142 178.494 21.314 -381.215 -193.446 178.494 -193.445 450.4 GPRESSURE: 627000 -97.3137 105.543 225.246 2.36701 -310.685 -221.642 93.1194 -39.2909 436.095 PRESSAVG: 627000 31.3879 -49.8016 -15.2661 -49.8016 -13.8218 19.8932 -15.2661 19.8933 -14.0406 GPRESSAVG: 627000 31.1468 -48.8193 -16.1183 -50.5437 -14.1039 19.4696 -16.9873 21.8519 -13.7706 TIMING: 627000 CPU: 1973.28, 0.00314391/step Wall: 1973.28, 0.00314391/step, 3.81897 hours remaining, 233.511719 MB of memory in use. ENERGY: 627000 3860.0414 20516.7739 14451.1749 242.3113 -203349.5798 2392.6149 0.0000 0.0000 52126.0135 -109760.6499 299.5689 -161886.6634 -109393.3244 298.9484 -12.1295 9.3656 762012.2688 1.1752 1.0908 PRESSURE: 627200 91.0542 38.5375 -98.8824 38.5387 -70.4189 -217.957 -98.8832 -217.958 -63.6571 GPRESSURE: 627200 178.934 -0.992744 -69.8879 69.7901 -32.4846 -233.374 44.2076 -209.463 -108.711 PRESSAVG: 627200 45.8588 -24.2053 -26.5227 -24.2053 -15.4017 -7.58883 -26.5227 -7.58879 20.3597 GPRESSAVG: 627200 45.0054 -24.857 -27.3198 -25.2015 -15.2107 -6.10943 -24.937 -9.00458 21.6286 TIMING: 627200 CPU: 1973.92, 0.00316601/step Wall: 1973.92, 0.00316601/step, 3.84564 hours remaining, 233.511719 MB of memory in use. ENERGY: 627200 3998.2272 20515.4024 14505.0886 249.4132 -203576.8110 2577.2243 0.0000 0.0000 51989.1459 -109742.3095 298.7823 -161731.4554 -109387.9966 299.0836 -14.3406 12.5795 759192.1595 16.9390 17.1411 PRESSURE: 627400 -436.067 183.601 26.1878 183.602 -154.143 -67.2402 26.1884 -67.2398 -61.3823 GPRESSURE: 627400 -247.205 175.511 81.7933 60.4946 -240.898 -50.1661 6.23934 102.919 -46.4687 PRESSAVG: 627400 49.76 -11.5946 -13.2443 -11.5945 -2.46388 -50.1258 -13.2443 -50.1258 -15.1366 GPRESSAVG: 627400 51.1044 -12.0635 -11.674 -12.0053 -3.7588 -51.0792 -12.8509 -49.7075 -15.6051 TIMING: 627400 CPU: 1974.55, 0.00316388/step Wall: 1974.55, 0.00316388/step, 3.84288 hours remaining, 233.511719 MB of memory in use. ENERGY: 627400 4005.6181 20402.0041 14517.0753 257.5488 -203433.5708 2356.3594 0.0000 0.0000 52320.6068 -109574.3582 300.6872 -161894.9650 -109224.5669 299.0979 -217.1974 -178.1905 761223.7208 10.7198 10.5802 PRESSURE: 627600 184.864 -42.5654 -72.7735 -42.5655 178.253 -17.8755 -72.7739 -17.8754 83.2734 GPRESSURE: 627600 166.421 55.8539 -206.991 54.8736 223.129 -78.4756 -151.137 11.5303 150.172 PRESSAVG: 627600 6.36868 -26.9964 43.8645 -26.9964 0.361439 31.188 43.8645 31.188 29.0678 GPRESSAVG: 627600 4.91556 -26.9029 42.269 -26.6123 1.39399 31.1977 42.1921 31.5544 29.3333 TIMING: 627600 CPU: 1975.18, 0.00314837/step Wall: 1975.18, 0.00314837/step, 3.82387 hours remaining, 233.511719 MB of memory in use. ENERGY: 627600 3916.1210 20615.5452 14524.7411 234.0740 -203519.7218 2627.9609 0.0000 0.0000 52130.5298 -109470.7499 299.5949 -161601.2797 -109111.5049 299.1835 148.7968 179.9073 760916.9137 11.9326 11.8809 PRESSURE: 627800 -46.5755 -46.2991 43.645 -46.2983 -151.07 -270.492 43.6444 -270.493 -110.255 GPRESSURE: 627800 37.5729 143.77 59.1387 -97.4759 -155.981 -290.818 0.665582 -137.929 -100.967 PRESSAVG: 627800 46.4947 -44.4035 -3.43158 -44.4034 -32.1093 -6.80015 -3.43167 -6.80018 28.3895 GPRESSAVG: 627800 47.5779 -42.9206 -2.79792 -43.5992 -33.0302 -5.65926 -2.08819 -7.8842 28.3034 TIMING: 627800 CPU: 1975.81, 0.0031485/step Wall: 1975.81, 0.0031485/step, 3.82385 hours remaining, 233.511719 MB of memory in use. ENERGY: 627800 3834.8230 20502.3739 14515.7033 247.0734 -203284.5430 2194.3744 0.0000 0.0000 52191.4408 -109798.7543 299.9449 -161990.1951 -109426.0065 299.1331 -102.6335 -73.1249 759207.0800 14.2583 14.2837 PRESSURE: 628000 250.552 -161.555 180.147 -161.555 86.0191 228.316 180.147 228.316 172 GPRESSURE: 628000 387.148 -189.703 161.562 -36.2693 123.987 196.493 43.9861 191.124 110.728 PRESSAVG: 628000 41.4548 -56.6949 48.992 -56.695 -20.2489 9.75429 48.992 9.7544 -5.32125 GPRESSAVG: 628000 42.0369 -58.4551 48.4856 -56.2813 -20.3486 7.66952 47.3883 8.63346 -5.56846 TIMING: 628000 CPU: 1976.44, 0.00316644/step Wall: 1976.44, 0.00316644/step, 3.84547 hours remaining, 233.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 628000 4008.7301 20424.2961 14482.1960 222.9570 -203509.7428 2695.7426 0.0000 0.0000 51801.7012 -109874.1197 297.7051 -161675.8209 -109516.8467 298.4049 169.5238 207.2876 759612.3815 5.2949 5.3733 PRESSURE: 628200 57.2733 -246.783 -154.046 -246.783 7.18533 -150.727 -154.047 -150.727 3.04283 GPRESSURE: 628200 26.5276 -137.184 -84.2212 -233.739 104.847 -156.447 -69.5985 -169.734 16.2166 PRESSAVG: 628200 39.2358 -60.6483 -78.7202 -60.6483 -5.00281 -28.5256 -78.7201 -28.5257 5.8175 GPRESSAVG: 628200 37.9896 -60.4207 -77.8149 -60.6808 -4.98039 -28.2215 -78.7437 -29.0197 7.2099 TIMING: 628200 CPU: 1977.07, 0.00316463/step Wall: 1977.07, 0.00316463/step, 3.84309 hours remaining, 233.511719 MB of memory in use. ENERGY: 628200 3959.6004 20522.5151 14471.3854 246.4370 -203235.9622 2442.6850 0.0000 0.0000 51743.4448 -109849.8944 297.3703 -161593.3392 -109487.1026 298.4786 22.5005 49.1972 760738.2299 13.3502 13.4064 LDB: ============= START OF LOAD BALANCING ============== 1989.47 LDB: ============== END OF LOAD BALANCING =============== 1989.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1989.48 LDB: ============= START OF LOAD BALANCING ============== 1989.79 LDB: Largest compute 7056 load 0.033037 is 16.9% of average load 0.195855 LDB: Average compute 0.004364 is 2.2% of average load 0.195855 LDB: TIME 1989.8 LOAD: AVG 0.195855 MAX 0.2135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.652 MB LDB: TIME 1989.8 LOAD: AVG 0.195855 MAX 0.2135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.656 MB LDB: TIME 1989.8 LOAD: AVG 0.195855 MAX 0.2135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.656 MB LDB: ============== END OF LOAD BALANCING =============== 1989.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1989.8 PRESSURE: 628400 -359.902 -69.3153 -214.844 -69.3145 -497.719 -63.8786 -214.844 -63.8772 240.169 GPRESSURE: 628400 -277.747 -56.4639 -148.1 -74.3036 -446.766 -126.029 -133.105 66.2636 184.587 PRESSAVG: 628400 43.0289 -20.8767 -43.6282 -20.8767 -33.4431 -27.3568 -43.6282 -27.3568 -5.67995 GPRESSAVG: 628400 42.3663 -20.5565 -43.6659 -18.7665 -31.2819 -26.4303 -42.9452 -26.5369 -6.71601 TIMING: 628400 CPU: 1977.72, 0.00323339/step Wall: 1977.72, 0.00323339/step, 3.92641 hours remaining, 233.933594 MB of memory in use. ENERGY: 628400 3905.3198 20355.1653 14515.2045 256.8767 -203111.7327 2384.2006 0.0000 0.0000 52036.2868 -109658.6790 299.0533 -161694.9658 -109290.5338 298.9893 -205.8176 -179.9756 761709.8721 1.3020 1.4561 PRESSURE: 628600 -63.1229 -203.967 223.153 -203.968 -227.319 -322.336 223.153 -322.335 372.359 GPRESSURE: 628600 -67.6938 -147.772 165.228 -219.238 -180.705 -358.624 228.168 -313.526 418.968 PRESSAVG: 628600 -9.45809 -16.4463 -35.3076 -16.4463 -24.9684 -50.2424 -35.3075 -50.2424 1.59822 GPRESSAVG: 628600 -8.72306 -16.9705 -35.1727 -19.6018 -26.1233 -50.161 -33.9163 -48.6328 1.88063 TIMING: 628600 CPU: 1978.34, 0.00311877/step Wall: 1978.34, 0.00311877/step, 3.78705 hours remaining, 234.468750 MB of memory in use. ENERGY: 628600 3949.6132 20719.6551 14401.7791 246.2067 -203313.9195 2464.3967 0.0000 0.0000 52008.2039 -109524.0648 298.8919 -161532.2687 -109155.5486 298.7601 27.3059 56.8562 760024.1083 -10.9428 -10.9886 PRESSURE: 628800 199.082 -10.4514 -93.1591 -10.4507 3.73362 350.5 -93.1583 350.5 324.024 GPRESSURE: 628800 208.654 -63.181 16.6499 56.6371 16.5264 289.72 -201.404 282.467 374.171 PRESSAVG: 628800 27.6698 -4.03044 18.4962 -4.03041 -48.0116 9.06873 18.4962 9.06884 23.0226 GPRESSAVG: 628800 27.2633 -3.7559 17.5409 -4.44335 -49.03 7.76386 17.2064 8.12227 23.9381 TIMING: 628800 CPU: 1978.97, 0.00313133/step Wall: 1978.97, 0.00313133/step, 3.80213 hours remaining, 234.468750 MB of memory in use. ENERGY: 628800 3964.4311 20454.2836 14397.3034 244.3557 -203799.4911 2982.3766 0.0000 0.0000 52222.9268 -109533.8139 300.1259 -161756.7407 -109176.1902 299.1880 175.6133 199.7837 762008.7413 0.8936 0.7238 PRESSURE: 629000 -52.3398 -73.1682 8.98836 -73.1671 74.6558 4.62469 8.9893 4.62495 -58.0522 GPRESSURE: 629000 50.5832 -25.8419 -49.5374 -103.094 93.5029 4.99726 31.5608 6.74758 -79.9621 PRESSAVG: 629000 18.5958 -37.2687 -8.50539 -37.2686 -39.0238 10.362 -8.50536 10.362 4.78892 GPRESSAVG: 629000 18.4135 -38.2438 -8.35207 -37.0436 -38.7747 11.5094 -9.01597 9.35375 5.43338 TIMING: 629000 CPU: 1979.6, 0.00314158/step Wall: 1979.6, 0.00314158/step, 3.81441 hours remaining, 234.468750 MB of memory in use. ENERGY: 629000 3939.4023 20539.8150 14416.9470 241.6283 -203824.1906 2847.9243 0.0000 0.0000 52230.4588 -109608.0149 300.1692 -161838.4737 -109250.4405 299.1561 -11.9121 21.3747 762007.5840 -5.2130 -4.9760 PRESSURE: 629200 -32.5905 -39.7021 151.419 -39.7015 148.418 -160.55 151.418 -160.549 261.188 GPRESSURE: 629200 9.09299 -22.3547 151.406 -60.4872 237.088 -69.5184 166.807 -90.6828 226.663 PRESSAVG: 629200 -3.00571 -20.581 -34.3109 -20.581 28.0177 -15.4433 -34.3109 -15.4433 -6.63723 GPRESSAVG: 629200 -2.18133 -20.081 -33.199 -20.3719 28.0999 -15.923 -33.3854 -15.0328 -7.67279 TIMING: 629200 CPU: 1980.23, 0.00315898/step Wall: 1980.23, 0.00315898/step, 3.83535 hours remaining, 234.468750 MB of memory in use. ENERGY: 629200 3920.8975 20581.2112 14469.6678 243.3698 -203469.1809 2726.2998 0.0000 0.0000 51803.3117 -109724.4231 297.7143 -161527.7348 -109354.2587 298.9164 125.6719 157.6147 760082.3931 6.1249 6.0819 PRESSURE: 629400 -297.993 276.509 137.037 276.509 -205.457 -48.1111 137.036 -48.1114 -235.49 GPRESSURE: 629400 -147.513 207.265 150.435 122.159 -258.825 -1.02231 208.654 -15.2849 -241.015 PRESSAVG: 629400 32.6896 -22.1097 -30.8252 -22.1098 -28.6738 -39.5467 -30.8253 -39.5467 6.0829 GPRESSAVG: 629400 32.4515 -21.618 -32.241 -22.1557 -29.4343 -39.3198 -29.5898 -38.547 6.66203 TIMING: 629400 CPU: 1980.86, 0.00313567/step Wall: 1980.86, 0.00313567/step, 3.80688 hours remaining, 234.468750 MB of memory in use. ENERGY: 629400 4002.1598 20457.9262 14405.2432 236.0780 -203022.0884 2197.1574 0.0000 0.0000 51988.6877 -109734.8359 298.7797 -161723.5237 -109366.2459 298.7373 -246.3135 -215.7844 761668.1630 3.3662 3.2264 PRESSURE: 629600 -203.806 -133.845 -3.26056 -133.846 90.3329 -39.9749 -3.26105 -39.9746 -168.689 GPRESSURE: 629600 -112.079 -105.614 -12.0434 -157.052 136.945 -49.8603 -49.9704 -139.551 -193.716 PRESSAVG: 629600 -6.79638 -6.08058 55.9833 -6.08059 7.21705 -30.0873 55.9833 -30.0872 12.9744 GPRESSAVG: 629600 -5.1807 -4.17789 57.2777 -7.59329 6.82626 -30.1564 54.2833 -32.2811 12.3142 TIMING: 629600 CPU: 1981.48, 0.0031298/step Wall: 1981.48, 0.0031298/step, 3.79958 hours remaining, 234.468750 MB of memory in use. ENERGY: 629600 4043.0384 20425.8234 14456.3125 231.7435 -203646.6515 2690.9907 0.0000 0.0000 52185.2668 -109613.4763 299.9094 -161798.7431 -109256.1173 298.8057 -94.0539 -56.2830 760994.5318 4.4650 4.6533 PRESSURE: 629800 187.298 109.409 202.221 109.409 39.162 -90.8238 202.221 -90.8235 -390.383 GPRESSURE: 629800 105.084 28.9238 165.07 66.7458 95.6932 -173.708 187.079 -36.7885 -293.827 PRESSAVG: 629800 9.16771 -19.3023 7.26828 -19.3022 -18.2719 -26.6521 7.26818 -26.6521 21.1668 GPRESSAVG: 629800 8.63142 -23.4664 5.96096 -16.0057 -17.9164 -28.1739 8.57335 -23.0068 21.9365 TIMING: 629800 CPU: 1982.11, 0.00312571/step Wall: 1982.11, 0.00312571/step, 3.79444 hours remaining, 234.468750 MB of memory in use. ENERGY: 629800 4034.4156 20693.9671 14480.1191 252.2230 -203573.4383 2819.4254 0.0000 0.0000 51825.1148 -109468.1735 297.8396 -161293.2882 -109116.5009 299.2574 -54.6412 -31.0167 762163.4897 4.0209 4.2172 PRESSURE: 630000 206.059 21.2441 -123.112 21.2436 -30.5942 98.7233 -123.111 98.7242 -255.172 GPRESSURE: 630000 214.719 -82.7102 -71.8713 -22.7665 58.6776 -11.0878 -111.876 163.252 -253.316 PRESSAVG: 630000 10.2233 6.23168 -39.2686 6.23165 -36.8788 46.5085 -39.2687 46.5085 -19.1247 GPRESSAVG: 630000 9.7291 7.47984 -38.1654 3.4933 -35.6831 47.2458 -42.2577 43.4447 -18.8235 TIMING: 630000 CPU: 1982.74, 0.00313997/step Wall: 1982.74, 0.00313997/step, 3.81157 hours remaining, 234.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 630000 4028.7182 20509.5484 14462.1955 235.4889 -203383.2132 2490.8668 0.0000 0.0000 52208.4378 -109447.9576 300.0426 -161656.3954 -109081.0827 299.5481 -26.5688 6.6938 759867.9744 -15.2600 -14.9258 PRESSURE: 630200 124.999 142.172 33.1318 142.171 40.8597 -8.09982 33.1323 -8.10084 113.718 GPRESSURE: 630200 184.226 126.163 -65.7581 106.681 32.952 -60.3908 127.018 83.5798 127.082 PRESSAVG: 630200 -9.79011 -15.9786 -56.8298 -15.9785 -17.7964 5.75231 -56.8298 5.75229 -11.566 GPRESSAVG: 630200 -10.7835 -16.7571 -56.9867 -14.4471 -17.6073 4.76426 -56.9747 9.91838 -10.6014 TIMING: 630200 CPU: 1983.36, 0.00314098/step Wall: 1983.36, 0.00314098/step, 3.81262 hours remaining, 234.468750 MB of memory in use. ENERGY: 630200 4080.3796 20596.8668 14454.6553 249.0521 -203343.4101 2729.9522 0.0000 0.0000 52039.5177 -109192.9864 299.0718 -161232.5041 -108835.3809 299.6995 93.1921 114.7532 760222.2103 -13.0508 -12.9974 PRESSURE: 630400 392.164 41.5939 -202.864 41.5945 -229.951 30.0865 -202.864 30.0862 -289.991 GPRESSURE: 630400 462.973 4.11208 -213.613 58.9307 -236.168 75.8396 -131.313 -63.486 -257.314 PRESSAVG: 630400 83.4917 -23.2366 -45.9783 -23.2366 -61.6868 40.7343 -45.9782 40.7344 -6.22702 GPRESSAVG: 630400 85.3922 -23.5361 -45.919 -23.3149 -62.921 42.9777 -44.2555 36.2822 -7.06653 TIMING: 630400 CPU: 1984, 0.00315203/step Wall: 1984, 0.00315203/step, 3.82587 hours remaining, 234.468750 MB of memory in use. ENERGY: 630400 4033.4619 20725.1268 14475.0592 247.8541 -203523.0490 2758.9359 0.0000 0.0000 52180.9014 -109101.7096 299.8844 -161282.6110 -108745.6098 300.2003 -42.5928 -10.1695 760491.6062 5.1926 5.1349 PRESSURE: 630600 89.4724 -133.037 -110.693 -133.038 -165.848 12.82 -110.693 12.8206 -163.171 GPRESSURE: 630600 34.7472 -53.7138 -90.8139 -294.009 -162.255 66.1721 -69.2196 48.034 -48.5018 PRESSAVG: 630600 26.57 -17.3835 -25.6023 -17.3835 -1.03366 -56.064 -25.6023 -56.064 -15.1059 GPRESSAVG: 630600 25.4006 -14.6522 -26.2682 -20.6464 -1.01075 -57.5383 -24.431 -52.4624 -14.1756 TIMING: 630600 CPU: 1984.63, 0.00318034/step Wall: 1984.63, 0.00318034/step, 3.86004 hours remaining, 234.468750 MB of memory in use. ENERGY: 630600 3930.1841 20584.7956 14488.5402 267.3030 -203431.7193 2773.4104 0.0000 0.0000 52480.6085 -108906.8775 301.6068 -161387.4860 -108538.4133 300.8113 -79.8490 -58.6698 762089.7310 3.4768 3.4048 PRESSURE: 630800 58.9043 77.7355 42.0761 77.7353 -531.276 251.95 42.0768 251.952 278.934 GPRESSURE: 630800 3.49476 83.2998 77.141 118.798 -432.154 169.325 -60.8132 120.726 338.691 PRESSAVG: 630800 62.2504 -47.6577 -32.844 -47.6576 -80.869 -13.5032 -32.844 -13.5031 8.34697 GPRESSAVG: 630800 62.3039 -49.8938 -31.7686 -44.9759 -78.9793 -12.8334 -33.5543 -15.4698 6.36354 TIMING: 630800 CPU: 1985.26, 0.00316495/step Wall: 1985.26, 0.00316495/step, 3.84119 hours remaining, 234.468750 MB of memory in use. ENERGY: 630800 3941.8053 20499.9780 14499.7048 238.6986 -202946.7703 2425.4255 0.0000 0.0000 52254.1114 -109087.0467 300.3051 -161341.1581 -108720.6805 300.3342 -64.4792 -29.9894 761446.1212 -3.4239 -3.4373 PRESSURE: 631000 -55.5289 -231.123 -199.265 -231.123 53.1539 81.7491 -199.265 81.7497 236.834 GPRESSURE: 631000 -32.8732 -112.829 -142.797 -232.149 73.6911 115.898 -174.713 43.9811 262.92 PRESSAVG: 631000 35.513 -18.6748 -41.8448 -18.6749 -18.2807 -36.4938 -41.8448 -36.4938 7.97448 GPRESSAVG: 631000 36.4591 -17.8293 -42.0113 -21.3807 -20.579 -37.1574 -41.5566 -36.143 9.24092 TIMING: 631000 CPU: 1985.9, 0.00315675/step Wall: 1985.9, 0.00315675/step, 3.83106 hours remaining, 234.468750 MB of memory in use. ENERGY: 631000 3986.7139 20526.8934 14451.2968 246.8587 -203149.7967 2618.2595 0.0000 0.0000 52061.4646 -109258.3098 299.1980 -161319.7744 -108903.0462 300.1360 78.1531 101.2458 760592.7921 8.4023 8.3737 PRESSURE: 631200 230.482 -315.892 -206.43 -315.891 -160.421 -98.9286 -206.43 -98.9285 15.136 GPRESSURE: 631200 190.859 -309.772 -272.687 -279.161 -57.1584 -169.371 -144.7 81.5413 45.6599 PRESSAVG: 631200 67.7419 -62.0535 25.2734 -62.0535 -17.2239 -38.5457 25.2734 -38.5456 5.95859 GPRESSAVG: 631200 67.0386 -63.7642 25.1493 -60.0794 -16.1793 -36.3168 24.3706 -37.9413 5.63321 TIMING: 631200 CPU: 1986.52, 0.00314414/step Wall: 1986.52, 0.00314414/step, 3.81559 hours remaining, 234.468750 MB of memory in use. ENERGY: 631200 3980.0710 20490.0594 14436.9299 255.7452 -203290.8897 2443.4943 0.0000 0.0000 52017.5036 -109667.0863 298.9453 -161684.5898 -109309.2102 299.6087 28.3987 59.7869 761487.6534 18.8255 18.8308 PRESSURE: 631400 -209.673 221.964 22.7083 221.964 -89.651 -305.75 22.7078 -305.75 -725.965 GPRESSURE: 631400 -120.196 227.586 -55.875 225.598 -71.2118 -341.428 85.4315 -151.366 -738.429 PRESSAVG: 631400 33.9232 -31.882 13.0042 -31.882 -14.9512 -6.2225 13.0042 -6.2225 7.53804 GPRESSAVG: 631400 32.6528 -31.39 13.3617 -32.179 -13.6589 -8.56259 14.8182 -6.7222 7.50283 TIMING: 631400 CPU: 1987.15, 0.00314542/step Wall: 1987.15, 0.00314542/step, 3.81697 hours remaining, 234.468750 MB of memory in use. ENERGY: 631400 4030.0991 20493.1849 14445.2897 244.5512 -203063.0177 2126.3792 0.0000 0.0000 51913.3021 -109810.2115 298.3465 -161723.5136 -109452.6516 298.5925 -341.7632 -309.9456 761752.8738 8.8367 8.8323 PRESSURE: 631600 223.683 279.836 -42.9823 279.834 194.406 -155.75 -42.9828 -155.75 108.401 GPRESSURE: 631600 348.475 115.868 -65.2367 209.219 66.2267 -84.561 35.8288 -220.493 176.304 PRESSAVG: 631600 21.968 -23.4462 -5.91913 -23.4461 -45.2971 -29.1035 -5.91913 -29.1034 -0.478441 GPRESSAVG: 631600 24.0236 -23.6492 -6.55436 -23.1039 -47.0222 -28.7325 -8.8551 -29.8053 -0.560178 TIMING: 631600 CPU: 1987.79, 0.00315881/step Wall: 1987.79, 0.00315881/step, 3.83304 hours remaining, 234.468750 MB of memory in use. ENERGY: 631600 3965.7579 20557.9799 14398.9838 239.6742 -203830.0651 2778.7989 0.0000 0.0000 51976.9967 -109911.8737 298.7125 -161888.8704 -109551.0892 298.9989 175.4967 197.0021 760680.8472 -7.9359 -7.8529 PRESSURE: 631800 -270.797 72.2765 28.4969 72.2763 -15.3928 164.343 28.498 164.343 -45.7321 GPRESSURE: 631800 -284.703 11.8981 64.1085 -21.884 16.8412 164.589 -28.9712 86.4184 20.1608 PRESSAVG: 631800 -19.8903 -20.4806 20.0198 -20.4806 4.67102 -20.7242 20.0197 -20.7242 15.5108 GPRESSAVG: 631800 -20.5878 -17.6143 20.301 -23.1649 5.72671 -21.8745 24.309 -18.9262 14.7984 TIMING: 631800 CPU: 1988.42, 0.00315685/step Wall: 1988.42, 0.00315685/step, 3.83049 hours remaining, 234.468750 MB of memory in use. ENERGY: 631800 3952.8630 20568.4702 14355.7550 249.5487 -203095.3660 2546.6776 0.0000 0.0000 51737.1015 -109684.9500 297.3338 -161422.0515 -109326.9556 298.8986 -110.6406 -82.5669 763048.5996 0.0972 -0.0209 PRESSURE: 632000 76.9036 5.56171 144.95 5.56241 -95.7151 -62.8688 144.949 -62.8694 362.861 GPRESSURE: 632000 69.6465 -7.33978 94.2691 -75.1303 -49.7737 -148.062 66.9399 -67.7438 424.611 PRESSAVG: 632000 14.3822 35.9502 -2.88548 35.9502 3.61984 13.9621 -2.88544 13.9621 15.5385 GPRESSAVG: 632000 13.3772 32.7293 -3.02369 39.1584 4.54743 16.8364 -7.49641 11.8365 16.0204 TIMING: 632000 CPU: 1989.04, 0.00312599/step Wall: 1989.04, 0.00312599/step, 3.79287 hours remaining, 234.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 632000 3991.9061 20517.1435 14421.7239 243.9273 -203976.3152 2869.1783 0.0000 0.0000 52146.1135 -109786.3226 299.6844 -161932.4361 -109431.7091 299.3957 114.6830 148.1613 762787.4300 11.1802 11.3150 PRESSURE: 632200 -144.99 53.8052 6.62202 53.8049 323.858 51.2698 6.6222 51.2696 -110.806 GPRESSURE: 632200 -54.4459 50.7466 37.7707 -31.8667 333.007 61.8018 126.705 19.4082 -125.893 PRESSAVG: 632200 -34.3342 37.7269 -20.7023 37.7268 8.60496 28.8874 -20.7023 28.8874 -1.68565 GPRESSAVG: 632200 -33.3578 36.5834 -20.075 37.275 6.77678 28.2634 -19.0609 30.1869 -1.13165 TIMING: 632200 CPU: 1989.67, 0.00313767/step Wall: 1989.67, 0.00313767/step, 3.80687 hours remaining, 234.468750 MB of memory in use. ENERGY: 632200 3963.3753 20617.3366 14413.2633 262.5848 -203583.7066 2421.3694 0.0000 0.0000 52183.4462 -109722.3310 299.8990 -161905.7772 -109363.4194 299.3523 22.6875 50.8893 760702.1406 -9.1383 -9.2376 LDB: ============= START OF LOAD BALANCING ============== 2002.06 LDB: ============== END OF LOAD BALANCING =============== 2002.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2002.07 LDB: ============= START OF LOAD BALANCING ============== 2002.38 LDB: Largest compute 7056 load 0.031507 is 16.1% of average load 0.195798 LDB: Average compute 0.004364 is 2.2% of average load 0.195798 LDB: TIME 2002.38 LOAD: AVG 0.195798 MAX 0.214284 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.02 MB LDB: TIME 2002.38 LOAD: AVG 0.195798 MAX 0.214284 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.02 MB LDB: TIME 2002.38 LOAD: AVG 0.195798 MAX 0.214284 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.02 MB LDB: ============== END OF LOAD BALANCING =============== 2002.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2002.39 PRESSURE: 632400 -312.955 -279.447 203.341 -279.447 -139.106 -95.4875 203.341 -95.486 15.7751 GPRESSURE: 632400 -281.758 -217.05 151.84 -239.352 -39.3611 -96.6719 333.546 -136.647 -37.0585 PRESSAVG: 632400 -7.63313 -61.3143 53.697 -61.3143 -13.5146 -13.2143 53.6971 -13.2143 -7.56256 GPRESSAVG: 632400 -7.15703 -59.0387 53.7566 -62.4562 -14.1193 -15.3239 54.0536 -13.8533 -7.32997 TIMING: 632400 CPU: 1990.31, 0.00319678/step Wall: 1990.31, 0.00319678/step, 3.8784 hours remaining, 232.960938 MB of memory in use. ENERGY: 632400 4057.9561 20525.5729 14338.9240 259.8129 -203382.6707 2517.4428 0.0000 0.0000 52111.5765 -109571.3856 299.4859 -161682.9621 -109211.8985 299.3834 -145.4288 -119.3926 761660.1722 -9.5701 -9.5354 PRESSURE: 632600 -22.2733 19.9773 63.1829 19.9772 23.7372 -99.8121 63.1829 -99.8131 -106.667 GPRESSURE: 632600 24.7077 73.4371 -32.8231 -33.9555 5.01053 -70.5942 -7.2963 -55.1916 -60.3639 PRESSAVG: 632600 -21.671 -48.9793 -9.69643 -48.9793 39.4492 50.1273 -9.69639 50.1273 -0.372608 GPRESSAVG: 632600 -20.7206 -48.287 -10.2296 -49.5246 40.0462 52.9478 -8.27811 50.6352 -1.21592 TIMING: 632600 CPU: 1990.94, 0.00313336/step Wall: 1990.94, 0.00313337/step, 3.80129 hours remaining, 233.367188 MB of memory in use. ENERGY: 632600 4060.3342 20634.6703 14384.8933 242.7325 -203122.8031 2424.1335 0.0000 0.0000 51856.8325 -109519.2068 298.0219 -161376.0393 -109161.8803 299.1548 -35.0677 -10.2152 761524.4940 5.8019 6.0365 PRESSURE: 632800 -453.562 -103.068 155.373 -103.068 26.1688 -116.813 155.373 -116.813 -50.3255 GPRESSURE: 632800 -361.936 -183.12 58.6482 -51.5002 32.3248 -108.363 144.603 -132.647 -52.914 PRESSAVG: 632800 -16.1087 -13.0388 34.8609 -13.0388 49.8388 19.8435 34.8609 19.8434 -22.8949 GPRESSAVG: 632800 -17.7469 -15.4445 34.6315 -12.7893 50.4158 16.9397 33.4759 19.2691 -22.125 TIMING: 632800 CPU: 1991.56, 0.00314375/step Wall: 1991.56, 0.00314375/step, 3.81372 hours remaining, 233.570312 MB of memory in use. ENERGY: 632800 4027.5537 20358.4453 14480.8921 244.8054 -203192.2023 2432.5552 0.0000 0.0000 52174.5672 -109473.3834 299.8480 -161647.9505 -109102.6807 299.6182 -159.2396 -127.5084 762247.6369 3.6117 3.5146 PRESSURE: 633000 -236.473 81.8625 -94.9727 81.8619 -49.4598 16.522 -94.9728 16.5214 -236.109 GPRESSURE: 633000 -122.422 94.2915 -176.069 98.0387 -45.9916 120.345 126.462 -118.453 -246.711 PRESSAVG: 633000 -8.83696 -5.95534 36.7876 -5.95532 15.9842 -0.346025 36.7876 -0.345964 -4.21528 GPRESSAVG: 633000 -8.63017 -6.73647 37.3427 -4.59059 15.6678 2.03683 41.4863 -1.00081 -4.32954 TIMING: 633000 CPU: 1992.19, 0.00313318/step Wall: 1992.19, 0.00313318/step, 3.80072 hours remaining, 233.570312 MB of memory in use. ENERGY: 633000 4025.7612 20427.9848 14471.5243 233.7271 -203093.6513 2471.1438 0.0000 0.0000 52143.4754 -109320.0347 299.6693 -161463.5102 -108963.5137 299.5750 -174.0138 -138.3749 762352.8176 0.9773 0.9027 PRESSURE: 633200 -56.3272 -176.114 185.014 -176.114 -174.173 -55.5155 185.014 -55.5148 -59.3347 GPRESSURE: 633200 -64.1863 -187.063 117.964 -93.181 -67.0823 -5.56228 96.4614 31.6202 -70.6361 PRESSAVG: 633200 53.7319 -43.9674 41.4288 -43.9673 -85.0411 -8.17756 41.4288 -8.17758 -8.72617 GPRESSAVG: 633200 53.0766 -41.9073 42.8128 -43.2406 -84.0963 -8.273 34.8764 -7.45335 -9.1071 TIMING: 633200 CPU: 1992.82, 0.0031507/step Wall: 1992.82, 0.0031507/step, 3.8218 hours remaining, 233.570312 MB of memory in use. ENERGY: 633200 3972.3280 20284.8793 14419.0301 251.8499 -203539.6905 2762.7020 0.0000 0.0000 52314.1179 -109534.7833 300.6500 -161848.9012 -109163.3695 299.2767 -96.6117 -67.3016 762220.4746 -13.3451 -13.3756 PRESSURE: 633400 -51.063 -183.048 187.731 -183.048 -92.299 193.032 187.73 193.033 279.949 GPRESSURE: 633400 4.66994 -74.109 176.58 -103.508 -112.852 178.022 183.994 223.127 340.234 PRESSAVG: 633400 80.9787 -27.6396 21.9223 -27.6395 -82.0207 -20.037 21.9223 -20.037 -0.200902 GPRESSAVG: 633400 81.7479 -26.5905 20.7777 -30.5441 -82.4116 -21.3214 23.1839 -17.9964 -0.28259 TIMING: 633400 CPU: 1993.45, 0.00313351/step Wall: 1993.45, 0.00313351/step, 3.80078 hours remaining, 233.570312 MB of memory in use. ENERGY: 633400 4009.1650 20460.2402 14450.9663 237.1060 -203378.9074 2711.1225 0.0000 0.0000 52263.5155 -109246.7919 300.3591 -161510.3074 -108891.6440 298.9231 45.5289 77.3505 760721.2643 -0.4143 -0.3154 PRESSURE: 633600 131.869 -147.215 113.984 -147.215 -94.9643 78.3809 113.984 78.3817 269.566 GPRESSURE: 633600 199.084 -94.7427 143.514 -110.713 -59.2821 218.683 -1.86906 147.426 249.485 PRESSAVG: 633600 11.3094 -34.6406 -17.6076 -34.6407 1.54484 -41.6378 -17.6077 -41.6377 -13.6822 GPRESSAVG: 633600 11.1456 -35.7861 -16.8886 -32.4983 1.61179 -40.0079 -18.4193 -43.6184 -13.1522 TIMING: 633600 CPU: 1994.07, 0.00313307/step Wall: 1994.07, 0.00313307/step, 3.80007 hours remaining, 233.570312 MB of memory in use. ENERGY: 633600 4038.1605 20369.5908 14473.2448 251.4754 -203219.3185 2561.4411 0.0000 0.0000 52156.4127 -109368.9932 299.7436 -161525.4059 -109011.8265 299.7460 102.1570 129.7622 760547.8615 -0.2760 -0.1316 PRESSURE: 633800 73.4832 -27.0789 56.0844 -27.0791 26.7504 99.118 56.0841 99.1169 -119.36 GPRESSURE: 633800 74.4997 5.68725 165.868 -37.6976 109.716 -44.516 21.0925 215.704 -116.822 PRESSAVG: 633800 -21.7323 -48.6348 22.5668 -48.6348 31.0173 -4.34795 22.5668 -4.34796 -13.7022 GPRESSAVG: 633800 -21.8226 -46.8271 21.8846 -51.1575 31.112 -7.22137 23.4594 -2.97794 -13.3771 TIMING: 633800 CPU: 1994.7, 0.00314709/step Wall: 1994.7, 0.00314709/step, 3.8169 hours remaining, 233.570312 MB of memory in use. ENERGY: 633800 4047.9916 20538.4801 14450.2168 245.3969 -203130.4111 2420.0309 0.0000 0.0000 52275.6412 -109152.6537 300.4288 -161428.2949 -108778.2943 299.6662 -6.3756 22.4645 761742.8886 -1.4724 -1.3626 PRESSURE: 634000 -292.866 67.5074 8.44578 67.5074 -136.589 -35.1557 8.44495 -35.1568 164.056 GPRESSURE: 634000 -124.118 -47.7727 -12.4667 7.17259 -195.812 -33.7019 43.1403 -44.4615 94.9573 PRESSAVG: 634000 29.233 -37.5401 42.7735 -37.5401 -31.8473 8.88234 42.7734 8.88227 -26.0784 GPRESSAVG: 634000 30.4409 -39.189 41.6869 -35.0925 -32.7543 10.3553 42.5127 7.86018 -26.8544 TIMING: 634000 CPU: 1995.33, 0.00315495/step Wall: 1995.33, 0.00315495/step, 3.82626 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 634000 4046.9348 20469.9741 14445.7582 231.4767 -203180.0082 2392.2390 0.0000 0.0000 52263.8510 -109329.7743 300.3611 -161593.6253 -108971.8344 299.3981 -88.4664 -74.9907 762233.1563 -9.5642 -9.7226 PRESSURE: 634200 128.615 -1.92481 111.504 -1.9241 117.279 -239.853 111.504 -239.853 -26.466 GPRESSURE: 634200 51.241 -13.3503 161.258 54.5553 126.212 -347.778 72.9925 -204.581 123.501 PRESSAVG: 634200 -16.3673 -12.6341 40.0399 -12.6341 26.6811 50.6743 40.0398 50.6743 1.20035 GPRESSAVG: 634200 -17.8562 -12.4835 40.7687 -12.136 27.5917 50.942 39.9229 51.548 1.95407 TIMING: 634200 CPU: 1995.97, 0.00315924/step Wall: 1995.97, 0.00315924/step, 3.83128 hours remaining, 233.570312 MB of memory in use. ENERGY: 634200 4021.0842 20454.9038 14414.4046 258.4093 -203152.3685 2581.5050 0.0000 0.0000 51941.8286 -109480.2330 298.5104 -161422.0616 -109124.1491 299.2132 73.1426 100.3181 761928.8648 3.8380 3.8965 PRESSURE: 634400 -290.098 -183.62 161.118 -183.62 -21.1425 45.8414 161.117 45.8424 -253.621 GPRESSURE: 634400 -226.53 -172.33 169.532 -146.499 101.472 24.8297 51.7948 37.5126 -322.578 PRESSAVG: 634400 -52.8199 -23.2942 58.112 -23.2942 58.4582 -25.4504 58.112 -25.4504 -7.4529 GPRESSAVG: 634400 -52.7725 -23.6508 57.5035 -24.4296 59.1123 -24.4299 60.0838 -27.4678 -7.72894 TIMING: 634400 CPU: 1996.6, 0.00314665/step Wall: 1996.6, 0.00314665/step, 3.81584 hours remaining, 233.570312 MB of memory in use. ENERGY: 634400 3935.9119 20370.5710 14335.9181 250.4795 -203344.8169 2504.7116 0.0000 0.0000 52250.2493 -109696.9754 300.2829 -161947.2247 -109332.5118 299.0333 -188.2869 -149.2118 761545.0700 -0.6049 -0.4631 PRESSURE: 634600 -165.018 -98.024 154.349 -98.0231 348.018 -34.5557 154.35 -34.556 52.9854 GPRESSURE: 634600 -9.43334 -163.183 176.18 -75.9776 352.585 54.987 110.399 -144.382 -17.0386 PRESSAVG: 634600 -34.9952 -81.3871 36.3984 -81.387 94.1426 35.7875 36.3985 35.7875 9.66581 GPRESSAVG: 634600 -34.9943 -81.8582 38.1129 -79.8944 93.7698 36.5563 32.4922 35.8479 9.37439 TIMING: 634600 CPU: 1997.22, 0.00312532/step Wall: 1997.22, 0.00312532/step, 3.7898 hours remaining, 233.570312 MB of memory in use. ENERGY: 634600 3955.3402 20442.3439 14320.9602 260.7164 -203469.4914 2661.0482 0.0000 0.0000 52248.3352 -109580.7474 300.2719 -161829.0826 -109211.8312 299.1651 78.6619 108.7042 761629.6377 22.9377 22.7166 PRESSURE: 634800 -158.048 216 -99.2975 216.001 69.0536 -45.9779 -99.2973 -45.9774 -189.181 GPRESSURE: 634800 -139.603 157.836 -59.6156 150.591 81.3338 -62.6711 -85.676 19.9975 -142.471 PRESSAVG: 634800 -120.852 -24.8331 57.233 -24.8331 103.308 23.7801 57.233 23.7802 7.17974 GPRESSAVG: 634800 -120.892 -24.3368 56.1598 -26.1285 102.584 24.0056 59.0989 24.3205 8.16672 TIMING: 634800 CPU: 1997.85, 0.00314568/step Wall: 1997.85, 0.00314568/step, 3.81431 hours remaining, 233.570312 MB of memory in use. ENERGY: 634800 3964.3838 20371.5824 14460.0558 250.3990 -203317.0057 2525.4350 0.0000 0.0000 52308.8350 -109436.3147 300.6196 -161745.1497 -109067.8174 299.1805 -92.7251 -66.9134 762375.5388 -3.4546 -3.3805 PRESSURE: 635000 -293.742 -105.052 -76.3277 -105.051 -241.786 -219.362 -76.3284 -219.363 -219.997 GPRESSURE: 635000 -128.239 -120.735 -197.954 -181.042 -251.113 -242.548 -128.634 -130.257 -295.431 PRESSAVG: 635000 -9.27198 -33.8104 -15.442 -33.8105 -38.9399 3.84442 -15.442 3.84443 -10.3215 GPRESSAVG: 635000 -7.79188 -35.0821 -16.244 -35.8635 -39.2004 3.02893 -14.1682 4.68795 -11.3255 TIMING: 635000 CPU: 1998.48, 0.0031292/step Wall: 1998.48, 0.0031292/step, 3.79415 hours remaining, 233.570312 MB of memory in use. ENERGY: 635000 3961.3467 20534.0786 14352.9518 251.4340 -203002.0311 2549.6020 0.0000 0.0000 52023.0954 -109329.5225 298.9774 -161352.6179 -108961.8011 299.6748 -251.8418 -224.9275 763121.4187 -19.5112 -19.4392 PRESSURE: 635200 106.216 -166.946 -81.4865 -166.946 -83.3086 -24.7417 -81.4873 -24.7428 197.08 GPRESSURE: 635200 96.3741 -69.7955 -197.659 -118.684 -47.9332 -71.7711 -104.311 -161.129 241.773 PRESSAVG: 635200 -30.1227 -50.2354 -16.9569 -50.2355 35.0018 -50.8689 -16.957 -50.869 6.65424 GPRESSAVG: 635200 -30.4025 -49.0149 -15.7609 -48.0759 34.9704 -51.9056 -18.4331 -51.8278 6.90981 TIMING: 635200 CPU: 1999.1, 0.00313094/step Wall: 1999.1, 0.00313094/step, 3.79608 hours remaining, 233.570312 MB of memory in use. ENERGY: 635200 3944.1382 20632.0961 14457.7208 247.2315 -203243.1136 2749.4085 0.0000 0.0000 51784.6217 -109427.8968 297.6069 -161212.5185 -109077.1369 298.9904 73.3291 96.7381 762569.0029 3.8444 3.8259 PRESSURE: 635400 -58.9964 24.7428 20.5877 24.7428 -210.413 152.932 20.5881 152.933 146.699 GPRESSURE: 635400 -3.48772 -19.5626 92.5956 -27.6434 -101.958 144.586 -11.3513 104.276 77.0339 PRESSAVG: 635400 17.5799 -31.0924 -20.6269 -31.0924 -29.6654 0.656314 -20.6269 0.656315 9.48642 GPRESSAVG: 635400 17.3717 -32.2454 -20.8319 -30.9959 -28.9339 0.910413 -19.7894 1.14667 9.08581 TIMING: 635400 CPU: 1999.73, 0.0031341/step Wall: 1999.73, 0.0031341/step, 3.79975 hours remaining, 233.570312 MB of memory in use. ENERGY: 635400 3919.1234 20621.2145 14350.3583 223.9651 -203224.7087 2327.2761 0.0000 0.0000 52354.8766 -109427.8947 300.8842 -161782.7713 -109061.0737 299.3988 -40.9036 -9.4706 762207.7318 -0.8664 -0.8255 PRESSURE: 635600 138.244 -355.775 289.264 -355.775 180.319 -32.4283 289.264 -32.4282 -41.5369 GPRESSURE: 635600 71.9809 -344.304 188.224 -346.93 260.338 38.944 442.028 -6.45545 23.3258 PRESSAVG: 635600 41.2822 -80.317 30.5589 -80.317 -34.5741 24.2818 30.5589 24.2818 7.4251 GPRESSAVG: 635600 40.3511 -78.903 29.7877 -82.9034 -32.6728 23.6042 31.7031 24.5824 6.4093 TIMING: 635600 CPU: 2000.36, 0.00314875/step Wall: 2000.36, 0.00314875/step, 3.81733 hours remaining, 233.570312 MB of memory in use. ENERGY: 635600 3982.3717 20498.7235 14369.5139 235.4755 -203499.6668 2663.6805 0.0000 0.0000 52210.0696 -109539.8320 300.0520 -161749.9016 -109178.5887 299.6187 92.3421 118.5484 760462.0866 4.7110 4.6959 PRESSURE: 635800 -30.1026 150.359 -270.151 150.358 225.847 -210.897 -270.152 -210.897 106.75 GPRESSURE: 635800 42.6366 128.01 -347.641 158.715 293.357 -211.393 -143.682 -123.002 32.7783 PRESSAVG: 635800 -22.6365 -34.1133 55.8283 -34.1133 5.1221 -33.4157 55.8283 -33.4158 18.3372 GPRESSAVG: 635800 -22.3051 -31.3351 56.6674 -33.687 3.328 -32.3533 55.6615 -32.5977 19.215 TIMING: 635800 CPU: 2000.99, 0.00313391/step Wall: 2000.99, 0.00313391/step, 3.79917 hours remaining, 233.570312 MB of memory in use. ENERGY: 635800 3906.3503 20585.6510 14395.3842 252.7853 -203644.5305 2754.8363 0.0000 0.0000 52216.6099 -109532.9135 300.0896 -161749.5234 -109150.6753 299.1194 100.8314 122.9239 762166.0414 0.2743 0.0793 PRESSURE: 636000 -282.327 223.894 65.776 223.894 -369.039 252.388 65.776 252.388 -102.886 GPRESSURE: 636000 -256.919 159.453 155.117 158.791 -365.98 256.307 -69.7699 203.453 -62.8992 PRESSAVG: 636000 -4.24321 3.94411 13.7815 3.94408 -41.2009 -25.2615 13.7814 -25.2615 8.2796 GPRESSAVG: 636000 -4.21751 0.84949 14.0494 7.07856 -41.2555 -25.1804 13.1164 -25.6726 8.80879 TIMING: 636000 CPU: 2001.61, 0.00312966/step Wall: 2001.61, 0.00312966/step, 3.79384 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 636000 4042.0625 20470.2237 14431.2442 216.1049 -202810.2266 2218.9024 0.0000 0.0000 51959.5676 -109472.1213 298.6123 -161431.6889 -109107.8678 299.1328 -251.4174 -228.5994 762916.8647 -12.3882 -12.2214 PRESSURE: 636200 241.273 -239.425 -95.8783 -239.424 23.3076 73.3996 -95.8788 73.3999 19.6757 GPRESSURE: 636200 370.735 -342.376 -132.726 -223.753 111.947 145.669 -176.193 2.62202 -96.8479 PRESSAVG: 636200 16.7224 34.302 -38.0057 34.302 -9.18185 -8.17669 -38.0057 -8.17675 6.65707 GPRESSAVG: 636200 17.0005 34.6031 -39.4345 33.9411 -9.2716 -8.86421 -38.176 -8.09119 6.49902 TIMING: 636200 CPU: 2002.23, 0.00311157/step Wall: 2002.23, 0.00311157/step, 3.77174 hours remaining, 233.570312 MB of memory in use. ENERGY: 636200 3908.9274 20486.6344 14474.5214 244.3335 -203618.2574 2887.8159 0.0000 0.0000 52114.1314 -109501.8934 299.5006 -161616.0248 -109136.1108 299.7126 94.7521 128.6114 761848.4373 4.7325 4.7426 LDB: ============= START OF LOAD BALANCING ============== 2014.63 LDB: ============== END OF LOAD BALANCING =============== 2014.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2014.63 LDB: ============= START OF LOAD BALANCING ============== 2014.94 LDB: Largest compute 7064 load 0.032973 is 16.8% of average load 0.195820 LDB: Average compute 0.004373 is 2.2% of average load 0.195820 LDB: TIME 2014.94 LOAD: AVG 0.19582 MAX 0.21612 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.395 MB LDB: TIME 2014.94 LOAD: AVG 0.19582 MAX 0.21612 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.395 MB LDB: TIME 2014.94 LOAD: AVG 0.19582 MAX 0.21612 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.395 MB LDB: ============== END OF LOAD BALANCING =============== 2014.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2014.95 PRESSURE: 636400 -104.854 -26.6006 188.653 -26.5998 -276.695 -145.731 188.653 -145.731 -180.818 GPRESSURE: 636400 -54.0485 65.1492 92.1935 -16.6416 -235.735 -164.641 197.085 -108.172 -185.475 PRESSAVG: 636400 26.8191 -54.9712 32.7146 -54.9712 7.03991 -4.23066 32.7146 -4.23064 1.66922 GPRESSAVG: 636400 26.2273 -54.916 34.7694 -54.7849 8.88074 -3.2441 31.6626 -5.96215 0.43163 TIMING: 636400 CPU: 2002.87, 0.00316996/step Wall: 2002.87, 0.00316996/step, 3.84235 hours remaining, 233.421875 MB of memory in use. ENERGY: 636400 3982.4215 20541.0881 14425.7620 241.2579 -203466.5740 2749.2297 0.0000 0.0000 51999.3931 -109527.4218 298.8412 -161526.8148 -109154.8107 299.5511 -187.4557 -158.4196 761216.0654 11.8428 11.8466 PRESSURE: 636600 -121.383 59.6847 277.103 59.686 303.029 -19.4811 277.103 -19.4809 225.626 GPRESSURE: 636600 -107.175 -37.3808 243.363 37.2473 353.012 -142.357 213.634 -66.562 249.928 PRESSAVG: 636600 -21.58 -24.1701 39.1376 -24.17 -2.53943 -39.6675 39.1376 -39.6675 -23.2763 GPRESSAVG: 636600 -21.682 -24.6782 38.3307 -25.2264 -2.98713 -41.0364 38.6909 -38.9338 -23.0819 TIMING: 636600 CPU: 2003.49, 0.00311294/step Wall: 2003.49, 0.00311294/step, 3.77305 hours remaining, 233.691406 MB of memory in use. ENERGY: 636600 4007.2683 20570.9767 14478.8279 243.0382 -203216.6573 2489.5062 0.0000 0.0000 52015.5073 -109411.5327 298.9338 -161427.0400 -109054.1419 299.5349 135.7574 165.2550 760223.2208 -15.7986 -15.9170 PRESSURE: 636800 23.1105 -32.6257 -63.7806 -32.6258 92.7921 201.138 -63.7822 201.138 326.878 GPRESSURE: 636800 114.04 -164.589 -77.9979 92.6968 84.8672 102.219 66.4412 374.751 320.501 PRESSAVG: 636800 11.1153 -4.21424 45.3018 -4.2142 8.77938 -36.1574 45.3017 -36.1574 -17.8874 GPRESSAVG: 636800 11.057 -7.16014 44.5931 -3.41692 8.57823 -35.53 45.9394 -36.0597 -17.9072 TIMING: 636800 CPU: 2004.11, 0.00312327/step Wall: 2004.11, 0.00312327/step, 3.7854 hours remaining, 233.691406 MB of memory in use. ENERGY: 636800 3976.2767 20535.0115 14437.4551 265.2517 -203158.9902 2375.2835 0.0000 0.0000 52364.7108 -109205.0009 300.9407 -161569.7118 -108829.8393 299.8856 147.5935 173.1363 760767.6588 0.6691 0.5760 PRESSURE: 637000 204.98 39.071 -48.4508 39.071 110.206 -305.545 -48.4504 -305.546 344.941 GPRESSURE: 637000 296.736 -35.0324 -83.1268 86.3171 162.629 -320.559 -25.4207 -332.009 294.363 PRESSAVG: 637000 -37.8263 25.0294 32.7265 25.0294 70.567 -23.6942 32.7265 -23.6942 -0.530526 GPRESSAVG: 637000 -36.5736 29.6699 32.3728 22.3178 69.1331 -24.1338 32.4561 -23.8589 -0.0280632 TIMING: 637000 CPU: 2004.74, 0.00312249/step Wall: 2004.74, 0.00312249/step, 3.78428 hours remaining, 233.691406 MB of memory in use. ENERGY: 637000 4044.9298 20525.5612 14479.3583 217.1345 -203408.4808 2712.0196 0.0000 0.0000 52132.6784 -109296.7989 299.6072 -161429.4774 -108937.5050 300.4981 220.0424 251.2425 762361.1308 10.7367 10.8438 PRESSURE: 637200 -173.784 -69.3119 -167.057 -69.3118 -154.87 -83.8616 -167.058 -83.8621 -426.281 GPRESSURE: 637200 -101.147 -70.3559 -183.063 -139.955 -214.934 -122.092 -189.172 43.1272 -380.988 PRESSAVG: 637200 32.8864 -25.8829 43.5987 -25.8829 -39.3818 -34.1375 43.5988 -34.1375 -22.2955 GPRESSAVG: 637200 31.9717 -27.0075 43.7776 -24.4857 -38.9579 -33.9165 45.0723 -34.7376 -21.7753 TIMING: 637200 CPU: 2005.37, 0.00313551/step Wall: 2005.37, 0.00313551/step, 3.79989 hours remaining, 233.691406 MB of memory in use. ENERGY: 637200 4004.8496 20527.2886 14410.1077 242.0369 -203015.9074 2251.3347 0.0000 0.0000 52287.0135 -109293.2763 300.4942 -161580.2898 -108929.8641 300.2391 -251.6449 -232.3562 761889.7395 -9.5970 -9.5872 PRESSURE: 637400 -29.3945 100.034 -41.3561 100.034 -18.3125 -251.949 -41.3562 -251.949 377.493 GPRESSURE: 637400 -54.5162 38.5429 -87.8436 189.606 20.7147 -210.312 -123.046 -154.776 444.334 PRESSAVG: 637400 24.1261 -60.0809 10.023 -60.0809 -4.71622 -46.8225 10.023 -46.8225 -16.9521 GPRESSAVG: 637400 24.4825 -58.8807 10.8069 -62.409 -4.5655 -48.5073 8.01261 -44.7805 -17.0988 TIMING: 637400 CPU: 2005.99, 0.00311756/step Wall: 2005.99, 0.00311756/step, 3.77797 hours remaining, 233.691406 MB of memory in use. ENERGY: 637400 4008.8958 20528.4260 14457.8250 240.1188 -203537.5420 2821.2957 0.0000 0.0000 52013.5610 -109467.4196 298.9227 -161480.9807 -109094.8315 299.6769 109.9286 136.8443 760681.4385 0.8193 0.9394 PRESSURE: 637600 55.2359 29.9306 143.679 29.9309 426.97 -21.1474 143.678 -21.1472 227.069 GPRESSURE: 637600 92.8841 -8.76782 167.71 -54.6488 460.102 -104.852 146.332 -83.5123 239.213 PRESSAVG: 637600 21.136 -34.9371 22.7454 -34.9372 14.9174 13.2422 22.7454 13.2422 -1.41322 GPRESSAVG: 637600 20.9988 -37.2682 22.0423 -31.9305 15.6912 14.7655 23.9858 10.3431 -1.65105 TIMING: 637600 CPU: 2006.62, 0.00313522/step Wall: 2006.62, 0.00313522/step, 3.79919 hours remaining, 233.691406 MB of memory in use. ENERGY: 637600 3930.0688 20548.2209 14502.2629 257.9400 -203644.2507 2701.9542 0.0000 0.0000 52141.5755 -109562.2284 299.6584 -161703.8039 -109201.3923 299.3779 236.4249 264.0662 759657.6260 11.5467 11.6797 PRESSURE: 637800 59.461 -70.6663 -25.0055 -70.6667 -92.4155 -9.37733 -25.0053 -9.37827 -162.423 GPRESSURE: 637800 5.2474 -31.9366 -21.4655 -10.9006 -24.402 6.53065 13.0748 -40.4039 -100.647 PRESSAVG: 637800 -21.3945 -68.4397 21.8012 -68.4397 -5.78567 -58.9126 21.8012 -58.9127 3.06332 GPRESSAVG: 637800 -21.7019 -67.8896 22.3692 -68.3788 -6.23113 -58.317 21.4063 -59.7039 3.61547 TIMING: 637800 CPU: 2007.24, 0.00312148/step Wall: 2007.24, 0.00312148/step, 3.78237 hours remaining, 233.160156 MB of memory in use. ENERGY: 637800 4000.0415 20653.9200 14462.4589 223.2779 -203556.9997 2921.3482 0.0000 0.0000 51879.4900 -109416.4631 298.1521 -161295.9532 -109063.2035 299.1286 -65.1257 -39.9338 760366.6739 -8.0390 -8.1059 PRESSURE: 638000 23.7566 26.9327 -212.722 26.9331 212.845 -93.6932 -212.722 -93.6922 188.102 GPRESSURE: 638000 63.2085 -47.7003 -216.638 44.7608 243.016 -124.947 -77.6617 -53.4867 216.284 PRESSAVG: 638000 21.4509 -12.8993 -44.0535 -12.8993 2.49223 -0.61229 -44.0535 -0.612291 -10.688 GPRESSAVG: 638000 21.8338 -11.9431 -44.9535 -13.0227 2.55917 -0.897234 -42.4079 1.59215 -11.2293 TIMING: 638000 CPU: 2007.87, 0.00312102/step Wall: 2007.87, 0.00312102/step, 3.78163 hours remaining, 233.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 638000 3928.6408 20628.3556 14450.9645 244.5295 -203196.7851 2577.9572 0.0000 0.0000 52019.3932 -109346.9444 298.9562 -161366.3375 -108976.7979 299.3874 141.5677 174.1695 761249.2976 4.4184 4.3879 PRESSURE: 638200 73.2906 13.1277 117.866 13.1282 -104.8 -81.2621 117.865 -81.2613 35.9613 GPRESSURE: 638200 108.219 -47.8362 48.4581 -140.845 -22.8317 -175.583 61.9231 -46.0514 -4.47546 PRESSAVG: 638200 13.3976 -33.5803 -42.2011 -33.5803 -7.05351 -67.7099 -42.2011 -67.7099 -5.06522 GPRESSAVG: 638200 14.6509 -34.7441 -40.7599 -32.2191 -6.75106 -67.6436 -43.6809 -69.4021 -6.64053 TIMING: 638200 CPU: 2008.49, 0.00312691/step Wall: 2008.49, 0.00312691/step, 3.7886 hours remaining, 233.160156 MB of memory in use. ENERGY: 638200 4005.6296 20543.9956 14353.9051 236.6033 -203086.6898 2430.2930 0.0000 0.0000 51958.3621 -109557.9010 298.6054 -161516.2631 -109194.4403 299.3015 1.4839 26.9706 760959.4068 0.4263 0.4198 PRESSURE: 638400 -95.1801 87.6953 -151.393 87.6955 -279.42 168.101 -151.394 168.101 58.0435 GPRESSURE: 638400 -123.614 87.7685 -182.499 23.645 -155.704 135.407 -110.992 340.31 65.8558 PRESSAVG: 638400 1.30876 15.7005 0.543173 15.7005 -12.3857 -44.6561 0.543188 -44.656 2.91503 GPRESSAVG: 638400 0.232981 14.3274 -1.2578 16.2555 -12.0082 -43.4222 -0.306778 -43.574 3.73785 TIMING: 638400 CPU: 2009.11, 0.00311572/step Wall: 2009.11, 0.00311572/step, 3.77486 hours remaining, 233.160156 MB of memory in use. ENERGY: 638400 4010.7085 20619.3113 14422.1289 247.1514 -203764.0632 2715.0986 0.0000 0.0000 52122.7378 -109626.9266 299.5501 -161749.6645 -109268.4940 299.2565 -105.5190 -71.1540 759333.0028 -2.7206 -2.6791 PRESSURE: 638600 -24.3011 76.6997 94.4215 76.6987 -107.513 -93.8753 94.4212 -93.8754 414.237 GPRESSURE: 638600 -35.0543 161.722 54.8395 33.983 -3.38899 -66.8631 112.078 70.6339 416.436 PRESSAVG: 638600 -32.2997 -3.07693 -44.6515 -3.07695 43.2897 11.5001 -44.6515 11.5002 8.57083 GPRESSAVG: 638600 -32.0382 1.19716 -43.6979 -7.6726 42.1002 10.7313 -43.4488 12.6116 8.69993 TIMING: 638600 CPU: 2009.74, 0.00312835/step Wall: 2009.74, 0.00312835/step, 3.78999 hours remaining, 233.160156 MB of memory in use. ENERGY: 638600 4030.0547 20452.8789 14368.4250 260.1161 -203209.2107 2455.6555 0.0000 0.0000 52131.3363 -109510.7441 299.5995 -161642.0804 -109156.3818 299.2215 94.1409 125.9977 761013.7179 6.5203 6.2540 PRESSURE: 638800 -44.723 -372.14 125.433 -372.141 195.476 -46.334 125.433 -46.3336 91.2579 GPRESSURE: 638800 -29.9375 -284.724 44.8008 -339.776 258.562 -90.7231 86.7323 65.7544 117.748 PRESSAVG: 638800 -22.2124 0.858974 -24.0593 0.858987 8.67968 -38.96 -24.0593 -38.9601 -4.79865 GPRESSAVG: 638800 -22.8326 -2.67673 -23.2479 4.14332 9.42782 -39.7266 -28.1196 -39.4638 -5.04174 TIMING: 638800 CPU: 2010.36, 0.00312497/step Wall: 2010.36, 0.00312497/step, 3.78573 hours remaining, 233.160156 MB of memory in use. ENERGY: 638800 3997.0314 20490.0938 14438.7799 242.2204 -203347.0102 2712.8657 0.0000 0.0000 51928.5013 -109537.5176 298.4338 -161466.0189 -109171.2492 299.1924 80.6703 115.4574 761191.3899 -6.1105 -6.1489 PRESSURE: 639000 -95.6118 88.9669 37.4429 88.9666 -274.802 91.4279 37.442 91.4279 -74.4402 GPRESSURE: 639000 -113.686 40.1068 75.4585 77.8056 -231.286 72.9926 98.7296 34.6017 -14.1438 PRESSAVG: 639000 -46.6713 -7.8598 70.7896 -7.85984 -28.6119 -33.7457 70.7895 -33.7457 12.6349 GPRESSAVG: 639000 -46.2207 -8.58052 69.5495 -5.54385 -28.9099 -34.143 72.8556 -34.681 12.0404 TIMING: 639000 CPU: 2010.99, 0.00311746/step Wall: 2010.99, 0.00311746/step, 3.77646 hours remaining, 233.160156 MB of memory in use. ENERGY: 639000 4005.6996 20531.9260 14467.1208 236.3202 -203512.4455 2751.6784 0.0000 0.0000 52277.8824 -109241.8182 300.4417 -161519.7005 -108876.4143 299.8201 -148.2846 -119.7052 762501.3416 -20.8828 -21.0300 PRESSURE: 639200 -46.782 -82.5845 -52.4485 -82.584 -48.7006 100.668 -52.447 100.666 20.3937 GPRESSURE: 639200 -45.0187 7.94712 -34.7381 -102.348 13.6726 77.8226 -31.1352 44.7628 48.7404 PRESSAVG: 639200 -28.7406 -5.35644 12.3791 -5.35643 44.2518 -29.3426 12.3791 -29.3426 -7.35019 GPRESSAVG: 639200 -29.412 -2.95604 14.0749 -9.40642 43.7152 -29.3644 11.4419 -29.4263 -6.62076 TIMING: 639200 CPU: 2011.61, 0.00311492/step Wall: 2011.61, 0.00311492/step, 3.77321 hours remaining, 233.148438 MB of memory in use. ENERGY: 639200 3994.1856 20476.6071 14388.5397 252.6407 -203512.1693 2827.2317 0.0000 0.0000 52120.7873 -109452.1772 299.5389 -161572.9645 -109080.9320 299.4440 -25.0296 5.7981 761616.4258 2.7203 2.5608 PRESSURE: 639400 56.4806 -50.0415 204.101 -50.0422 -231.796 262.18 204.101 262.181 341.682 GPRESSURE: 639400 64.5704 -137.881 111.661 -15.8368 -105.428 318.533 232.562 179.056 313.502 PRESSAVG: 639400 2.59267 -18.4124 14.3173 -18.4124 1.26166 -51.7975 14.3173 -51.7975 -18.7424 GPRESSAVG: 639400 3.4201 -18.7428 13.434 -16.8632 1.50008 -50.4916 15.8921 -53.4949 -19.3155 TIMING: 639400 CPU: 2012.23, 0.00311481/step Wall: 2012.23, 0.00311481/step, 3.7729 hours remaining, 233.152344 MB of memory in use. ENERGY: 639400 4049.9281 20552.5028 14458.8707 242.7663 -203490.7314 2712.5568 0.0000 0.0000 51921.8550 -109552.2517 298.3956 -161474.1068 -109186.7038 299.1134 55.4556 90.8813 761337.0660 -4.9627 -4.7984 PRESSURE: 639600 -0.200507 -120.425 144.614 -120.425 284.875 -85.8269 144.614 -85.8273 161.743 GPRESSURE: 639600 132.677 -28.4377 189.341 -171.093 325.6 -60.4014 123.407 -6.62431 76.1637 PRESSAVG: 639600 -11.5758 -28.2574 38.4061 -28.2574 46.7292 -13.5098 38.4061 -13.5098 -22.5418 GPRESSAVG: 639600 -11.9507 -27.3297 39.5468 -29.034 47.29 -12.3361 38.3471 -11.093 -22.2258 TIMING: 639600 CPU: 2012.86, 0.00312557/step Wall: 2012.86, 0.00312557/step, 3.78576 hours remaining, 233.164062 MB of memory in use. ENERGY: 639600 4039.7775 20425.8441 14504.4890 258.6510 -203523.3810 2668.6326 0.0000 0.0000 51685.2634 -109940.7236 297.0359 -161625.9869 -109591.5287 298.9482 148.8059 178.1468 759242.5078 4.2039 4.3712 PRESSURE: 639800 -290.244 -231.109 -56.8937 -231.109 -19.6618 8.32663 -56.8946 8.3266 -163.967 GPRESSURE: 639800 -233.263 -157.186 -94.0137 -239.473 0.00838269 34.5189 -7.14471 -6.48388 -155.556 PRESSAVG: 639800 -4.389 -0.715966 45.2179 -0.716 -1.75879 -3.66105 45.2179 -3.66107 5.72409 GPRESSAVG: 639800 -5.02359 -1.1067 44.9182 -1.4285 -2.11351 -4.97502 46.1739 -4.14307 5.85385 TIMING: 639800 CPU: 2013.48, 0.0031228/step Wall: 2013.48, 0.0031228/step, 3.78223 hours remaining, 233.164062 MB of memory in use. ENERGY: 639800 3915.2575 20574.1374 14439.4327 236.3353 -203717.9496 2660.0535 0.0000 0.0000 51907.9649 -109984.7684 298.3158 -161892.7332 -109625.0674 298.0783 -157.9575 -129.6035 759786.5338 -0.1412 -0.4278 PRESSURE: 640000 -157.466 -188.413 -10.3578 -188.412 216.79 171.852 -10.3579 171.852 -103.393 GPRESSURE: 640000 -179.695 -220.361 10.0531 -139.477 278.236 186.57 -126.104 247.681 -70.8793 PRESSAVG: 640000 -37.6496 -72.6305 -6.05533 -72.6306 16.0823 -39.0156 -6.05533 -39.0156 8.09902 GPRESSAVG: 640000 -37.6295 -76.1051 -6.08351 -69.432 15.844 -39.4822 -6.63673 -40.7435 8.49958 TIMING: 640000 CPU: 2014.11, 0.00314542/step Wall: 2014.11, 0.00314542/step, 3.80946 hours remaining, 233.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 640000 3921.9626 20574.4757 14404.7978 236.0752 -203636.0018 2620.6259 0.0000 0.0000 51891.9808 -109986.0838 298.2239 -161878.0645 -109631.8559 298.4247 -14.6897 9.2204 759394.9450 -4.4894 -4.4287 PRESSURE: 640200 -168.459 -53.1816 -340.56 -53.181 -116.051 43.2048 -340.56 43.2054 -313.173 GPRESSURE: 640200 -153.726 -8.14995 -352.175 -80.6499 -123.181 103.097 -211.765 50.5862 -212.631 PRESSAVG: 640200 -16.9678 -24.7144 -16.8738 -24.7144 -7.0707 5.5885 -16.8739 5.58844 -11.5528 GPRESSAVG: 640200 -17.4331 -22.2327 -18.3117 -28.2401 -7.52309 6.24377 -16.2195 8.67665 -10.968 TIMING: 640200 CPU: 2014.73, 0.00310387/step Wall: 2014.73, 0.00310387/step, 3.75896 hours remaining, 233.164062 MB of memory in use. ENERGY: 640200 4031.9368 20419.1695 14422.0803 248.4794 -203267.5752 2597.7880 0.0000 0.0000 51776.6657 -109771.4556 297.5612 -161548.1213 -109401.4409 298.1211 -199.2278 -163.1793 761762.5458 -11.8638 -11.9747 LDB: ============= START OF LOAD BALANCING ============== 2027.13 LDB: ============== END OF LOAD BALANCING =============== 2027.13 LDB: =============== DONE WITH MIGRATION ================ 2027.13 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2027.44 LDB: Largest compute 7031 load 0.032750 is 16.7% of average load 0.195916 LDB: Average compute 0.004390 is 2.2% of average load 0.195916 LDB: TIME 2027.45 LOAD: AVG 0.195916 MAX 0.213352 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 2027.45 LOAD: AVG 0.195916 MAX 0.213352 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 2027.45 LOAD: AVG 0.195916 MAX 0.213352 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 2027.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2027.45 PRESSURE: 640400 11.8044 13.5538 -73.1856 13.5543 -67.7934 -102.825 -73.1851 -102.825 236.955 GPRESSURE: 640400 53.245 88.1234 8.36343 56.6764 -6.22385 -101.932 -222.516 -226.288 232.921 PRESSAVG: 640400 0.787445 -25.3329 -8.99142 -25.3329 1.25448 -15.2776 -8.99148 -15.2776 -29.5761 GPRESSAVG: 640400 1.14665 -25.6657 -7.5829 -25.3344 0.606456 -15.4732 -10.1502 -18.3585 -29.8797 TIMING: 640400 CPU: 2015.37, 0.00318884/step Wall: 2015.37, 0.00318884/step, 3.86168 hours remaining, 234.300781 MB of memory in use. ENERGY: 640400 4097.7058 20474.9522 14394.3391 253.3571 -203743.1868 2824.1745 0.0000 0.0000 52152.0884 -109546.5697 299.7188 -161698.6581 -109184.4944 298.7037 60.3219 93.3140 760063.1753 -9.1781 -9.3755 PRESSURE: 640600 -195.103 -200.973 -202.576 -200.973 -490.942 239.628 -202.576 239.628 -388.684 GPRESSURE: 640600 -241.932 -225.302 -175.091 -134.916 -370.521 371.532 -40.8255 210.951 -394.588 PRESSAVG: 640600 -24.3801 -40.0122 -9.00074 -40.0122 15.0662 66.5595 -9.00071 66.5595 18.9976 GPRESSAVG: 640600 -24.835 -40.1378 -10.5313 -37.9737 16.6273 65.1635 -7.33593 68.33 18.1116 TIMING: 640600 CPU: 2016, 0.00312399/step Wall: 2016, 0.00312399/step, 3.78298 hours remaining, 234.367188 MB of memory in use. ENERGY: 640600 4006.4425 20560.7340 14503.7862 259.3456 -203390.3183 2414.7647 0.0000 0.0000 52020.0976 -109625.1478 298.9602 -161645.2454 -109259.0650 299.2864 -358.2431 -335.6804 763229.6965 3.2279 3.3013 PRESSURE: 640800 231.35 -368.36 -41.3112 -368.36 -138.269 213.701 -41.311 213.701 314.57 GPRESSURE: 640800 193.306 -355.822 8.844 -382.344 -68.9096 199.203 -38.788 268.548 377.837 PRESSAVG: 640800 19.4094 -61.8488 8.33687 -61.8488 -12.3798 14.7154 8.33691 14.7155 -8.60605 GPRESSAVG: 640800 19.5809 -62.1941 9.07759 -61.3289 -12.6841 16.1219 8.91785 14.7046 -8.26391 TIMING: 640800 CPU: 2016.62, 0.00311716/step Wall: 2016.62, 0.00311716/step, 3.77453 hours remaining, 234.570312 MB of memory in use. ENERGY: 640800 3958.6050 20509.0292 14503.8228 260.1443 -203270.7165 2524.4482 0.0000 0.0000 52007.3082 -109507.3587 298.8867 -161514.6669 -109139.9761 299.3895 135.8841 167.4114 761890.0580 -0.5255 -0.4557 PRESSURE: 641000 -130.393 36.5859 -61.1002 36.5852 -115.734 -114.924 -61.1002 -114.924 164.553 GPRESSURE: 641000 -89.8592 25.5398 44.2656 31.6061 -16.8192 -98.2126 -318.522 18.0729 131.42 PRESSAVG: 641000 -20.5105 -51.8448 24.0036 -51.8448 12.8037 -15.0475 24.0036 -15.0475 35.1219 GPRESSAVG: 641000 -20.3429 -52.4565 24.8551 -53.4258 12.3656 -15.8304 22.184 -13.3643 35.4345 TIMING: 641000 CPU: 2017.24, 0.00311846/step Wall: 2017.24, 0.00311846/step, 3.77593 hours remaining, 234.570312 MB of memory in use. ENERGY: 641000 4009.9041 20335.9185 14501.4853 253.1830 -203660.3813 2814.2997 0.0000 0.0000 51900.8944 -109844.6961 298.2752 -161745.5906 -109484.5544 299.1441 -27.1913 8.2473 760708.9825 9.1384 9.1524 PRESSURE: 641200 157.523 198.053 75.9234 198.053 -160.767 -0.615344 75.9237 -0.615024 310.024 GPRESSURE: 641200 223.171 124.223 98.5008 185.027 -121.371 57.436 -9.44968 -151.932 263.35 PRESSAVG: 641200 -25.0159 0.910702 8.06127 0.910682 62.4697 -21.0874 8.06128 -21.0873 -7.40339 GPRESSAVG: 641200 -23.7238 2.35749 5.93695 0.224303 62.3404 -20.8322 8.92612 -23.7047 -8.01004 TIMING: 641200 CPU: 2017.87, 0.00311324/step Wall: 2017.87, 0.00311324/step, 3.76944 hours remaining, 234.570312 MB of memory in use. ENERGY: 641200 4008.3900 20581.4632 14460.8108 255.0100 -203246.1679 2352.7835 0.0000 0.0000 51720.4289 -109867.2815 297.2380 -161587.7104 -109503.8062 298.4106 102.2602 121.7166 759953.5035 10.0168 10.2022 PRESSURE: 641400 169.294 -187.405 -281.257 -187.404 123.156 -131.87 -281.256 -131.869 -94.9061 GPRESSURE: 641400 252.044 -284.289 -213.551 -196.363 83.6094 -165.923 -292.166 -35.1249 -44.876 PRESSAVG: 641400 -1.65853 -60.0693 19.4342 -60.0693 22.6378 -41.1198 19.4343 -41.1199 7.92484 GPRESSAVG: 641400 -2.51016 -63.4385 19.0533 -58.5618 23.104 -41.38 20.0335 -40.0954 9.01962 TIMING: 641400 CPU: 2018.49, 0.00310822/step Wall: 2018.49, 0.00310822/step, 3.7632 hours remaining, 234.570312 MB of memory in use. ENERGY: 641400 3936.5406 20444.3289 14412.8911 252.6499 -203548.1146 2647.9215 0.0000 0.0000 51912.8603 -109940.9224 298.3439 -161853.7827 -109589.9891 298.2563 65.8481 96.9257 760004.3721 9.6347 9.8712 PRESSURE: 641600 315.818 -181.648 -18.9062 -181.647 78.3937 350.203 -18.9068 350.203 97.9211 GPRESSURE: 641600 329.885 -137.348 18.5198 -188.487 146.848 249.611 -28.2898 195.597 85.8147 PRESSAVG: 641600 58.9914 -63.8484 -40.2036 -63.8484 -56.1978 -16.5623 -40.2036 -16.5623 17.6013 GPRESSAVG: 641600 58.952 -61.9743 -40.2908 -62.8934 -55.2788 -16.9618 -42.3089 -15.4347 16.916 TIMING: 641600 CPU: 2019.11, 0.00312638/step Wall: 2019.11, 0.00312638/step, 3.785 hours remaining, 234.570312 MB of memory in use. ENERGY: 641600 3985.7785 20521.9107 14398.8516 235.8425 -204026.1606 2936.1604 0.0000 0.0000 51914.3349 -110033.2820 298.3524 -161947.6169 -109660.3329 298.3877 164.0442 187.5160 760498.7278 6.7983 6.8631 PRESSURE: 641800 -199.212 -88.8959 127.715 -88.8957 92.2154 37.2602 127.715 37.2595 -20.3189 GPRESSURE: 641800 -115.537 -210.062 9.42609 -2.22988 135.112 43.1348 233.999 107.029 -70.8089 PRESSAVG: 641800 -15.5324 -62.6639 0.528411 -62.6639 17.964 -18.3626 0.528411 -18.3626 1.00754 GPRESSAVG: 641800 -14.8786 -64.3103 1.32358 -61.2645 17.6617 -18.793 1.75009 -19.4088 0.0110439 TIMING: 641800 CPU: 2019.74, 0.00311718/step Wall: 2019.74, 0.00311718/step, 3.77369 hours remaining, 234.570312 MB of memory in use. ENERGY: 641800 3918.6846 20394.6657 14395.0574 247.9885 -203518.2086 2422.9159 0.0000 0.0000 51973.0097 -110165.8869 298.6896 -162138.8965 -109804.2307 297.8797 -42.4386 -17.0782 760590.5887 1.1464 0.9314 PRESSURE: 642000 178.329 39.5939 -119.448 39.5948 267.164 74.6598 -119.447 74.659 369.15 GPRESSURE: 642000 178.681 31.4969 -105.549 -22.9998 343.768 116.254 -49.106 102.4 376.543 PRESSAVG: 642000 -38.8025 -36.7859 16.219 -36.786 24.7821 -16.3351 16.219 -16.3351 9.48522 GPRESSAVG: 642000 -39.5088 -34.7784 16.1178 -40.7928 22.7462 -13.4469 17.5442 -19.5283 12.1105 TIMING: 642000 CPU: 2020.36, 0.00313057/step Wall: 2020.36, 0.00313057/step, 3.78973 hours remaining, 234.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 642000 4008.8681 20443.9738 14388.8154 238.2587 -204028.3811 3039.6596 0.0000 0.0000 51681.8033 -110227.0021 297.0160 -161908.8055 -109877.6011 297.6646 271.5478 299.6642 759623.6345 -1.5117 -1.5507 PRESSURE: 642200 -204.262 120.22 -86.7792 120.22 -88.4554 -40.3056 -86.7794 -40.3066 -102.613 GPRESSURE: 642200 -18.5743 54.8769 -155.27 125.294 -101.151 18.5225 -24.5034 22.6948 -164.855 PRESSAVG: 642200 -17.9497 -25.8414 33.3855 -25.8413 10.5754 -2.1199 33.3855 -2.12004 -3.67598 GPRESSAVG: 642200 -17.3854 -26.5528 34.7609 -25.5488 11.2498 -2.51713 32.7821 -0.504853 -4.45298 TIMING: 642200 CPU: 2020.99, 0.00313971/step Wall: 2020.99, 0.00313971/step, 3.80062 hours remaining, 234.570312 MB of memory in use. ENERGY: 642200 4026.9209 20491.1087 14354.8132 241.9434 -203413.9367 2401.0193 0.0000 0.0000 51759.3589 -110138.7722 297.4617 -161898.1311 -109785.7300 297.5833 -131.7769 -94.8602 760403.4134 -3.6834 -3.5295 PRESSURE: 642400 40.9906 -126.93 76.0568 -126.931 -4.21728 10.0019 76.0569 10.0022 364.64 GPRESSURE: 642400 55.9332 -56.8463 65.2665 -94.4854 77.9304 -23.4405 0.264646 -58.9409 353.84 PRESSAVG: 642400 -30.1946 -26.0588 5.65315 -26.0588 35.0713 52.135 5.65318 52.135 0.201425 GPRESSAVG: 642400 -31.126 -25.8758 4.02242 -24.7493 36.4006 52.0005 5.35978 52.748 -0.0485157 TIMING: 642400 CPU: 2021.61, 0.003114/step Wall: 2021.61, 0.003114/step, 3.76933 hours remaining, 234.570312 MB of memory in use. ENERGY: 642400 4001.7826 20519.6133 14380.2088 229.0034 -203448.3334 2556.6874 0.0000 0.0000 51573.3105 -110187.7273 296.3925 -161761.0378 -109828.2763 297.6973 133.8043 162.5679 762542.2225 1.6927 1.7420 PRESSURE: 642600 -24.3572 -9.70793 81.3654 -9.70697 25.888 -50.8247 81.3643 -50.8248 -38.1745 GPRESSURE: 642600 -86.7781 61.1254 121.674 -6.97067 151.703 -38.4001 -10.7018 8.50206 -35.4142 PRESSAVG: 642600 -16.4103 -2.67433 -42.9639 -2.67441 19.9269 -25.2229 -42.964 -25.2229 1.04201 GPRESSAVG: 642600 -15.8563 -3.17017 -41.604 -2.57823 18.7732 -26.3749 -41.573 -23.8808 1.23781 TIMING: 642600 CPU: 2022.24, 0.0031281/step Wall: 2022.24, 0.0031281/step, 3.78621 hours remaining, 234.570312 MB of memory in use. ENERGY: 642600 3936.2316 20400.4741 14381.8054 247.8732 -203405.6363 2221.7474 0.0000 0.0000 51972.7137 -110244.7909 298.6879 -162217.5046 -109883.9858 297.4467 -12.2146 9.8370 759464.9999 1.5195 1.3849 PRESSURE: 642800 -254.054 -42.1183 182.648 -42.1188 -272.617 142.91 182.647 142.91 -138.425 GPRESSURE: 642800 -181.714 -52.4905 144.754 -224.722 -172.205 204.437 110.443 132.78 -227.854 PRESSAVG: 642800 -26.9481 -36.1466 -17.3343 -36.1466 30.0999 -39.7135 -17.3343 -39.7135 -3.66408 GPRESSAVG: 642800 -27.9413 -35.74 -18.0115 -36.4538 31.0377 -39.0163 -19.9735 -39.5946 -4.12055 TIMING: 642800 CPU: 2022.87, 0.00313432/step Wall: 2022.87, 0.00313432/step, 3.79357 hours remaining, 234.570312 MB of memory in use. ENERGY: 642800 4007.0873 20423.0790 14458.5856 269.8299 -203206.1655 2350.9005 0.0000 0.0000 51499.7489 -110196.9343 295.9698 -161696.6832 -109845.2835 297.9025 -221.6988 -193.9242 760634.3524 -0.1708 -0.3414 PRESSURE: 643000 285.227 -95.3359 27.1594 -95.336 -95.2375 150.273 27.1598 150.272 102.746 GPRESSURE: 643000 312.163 -185.848 -12.2538 -48.8785 -113.271 231.299 13.3222 161.139 184.903 PRESSAVG: 643000 31.1576 -46.3168 19.3852 -46.3168 -8.33063 -1.79151 19.3851 -1.79151 1.07856 GPRESSAVG: 643000 31.7099 -46.1693 18.8957 -47.8457 -10.148 -1.63594 19.2125 -2.11356 2.79982 TIMING: 643000 CPU: 2023.49, 0.0031207/step Wall: 2023.49, 0.0031207/step, 3.77692 hours remaining, 234.570312 MB of memory in use. ENERGY: 643000 3966.2854 20548.4303 14462.4235 244.9532 -203906.7238 2737.7695 0.0000 0.0000 51990.1313 -109956.7305 298.7880 -161946.8618 -109586.0750 298.3534 97.5785 127.9317 757123.6888 7.9685 8.1206 PRESSURE: 643200 -357.218 -22.827 -6.91725 -22.8269 148.432 -4.17818 -6.91775 -4.17736 108.078 GPRESSURE: 643200 -204.272 36.6021 45.9151 -99.8366 92.3266 17.252 -121.392 -17.4882 81.783 PRESSAVG: 643200 -67.9748 -48.2392 0.584849 -48.2392 57.8285 13.3675 0.584862 13.3674 -2.41966 GPRESSAVG: 643200 -67.1791 -49.2777 1.28443 -47.0555 57.716 13.6296 0.566359 11.2446 -3.63554 TIMING: 643200 CPU: 2024.12, 0.00313001/step Wall: 2024.12, 0.00313001/step, 3.788 hours remaining, 234.570312 MB of memory in use. ENERGY: 643200 3929.2268 20476.0289 14387.0015 242.6416 -203379.5092 2539.1074 0.0000 0.0000 51782.3965 -110023.1064 297.5941 -161805.5029 -109664.7279 298.6053 -33.5693 -10.0542 760121.6522 -4.1886 -4.3662 PRESSURE: 643400 -325.375 -137.413 69.2197 -137.413 -138.435 -345.921 69.2188 -345.92 -72.3581 GPRESSURE: 643400 -191.432 -166.93 53.733 -134.664 -115.154 -286.834 85.572 -209.928 -167.554 PRESSAVG: 643400 -35.3575 -11.3819 -42.969 -11.382 46.2063 -25.599 -42.9691 -25.599 -11.4621 GPRESSAVG: 643400 -36.5375 -11.0175 -43.3807 -12.3791 46.9899 -25.6207 -41.3342 -23.5969 -11.2315 TIMING: 643400 CPU: 2024.74, 0.00311082/step Wall: 2024.74, 0.00311082/step, 3.76461 hours remaining, 234.570312 MB of memory in use. ENERGY: 643400 3912.3666 20615.2657 14382.5162 277.8587 -203211.9133 2324.1145 0.0000 0.0000 51974.2530 -109725.5388 298.6967 -161699.7917 -109358.6507 298.8215 -178.7228 -158.0465 761539.0906 -0.2044 -0.2597 PRESSURE: 643600 -334.619 205.67 93.1804 205.67 351.701 -83.3788 93.1805 -83.378 228.641 GPRESSURE: 643600 -304.442 77.1382 123.905 211.302 406.802 -115.483 92.8537 -51.1724 235.901 PRESSAVG: 643600 -22.9795 -2.41809 -40.9503 -2.41815 -6.45241 -29.9889 -40.9503 -29.9888 -4.21727 GPRESSAVG: 643600 -22.8243 -4.09188 -41.8155 -0.698021 -6.15546 -30.21 -41.5625 -29.9389 -4.33933 TIMING: 643600 CPU: 2025.36, 0.00312734/step Wall: 2025.36, 0.00312734/step, 3.78443 hours remaining, 234.570312 MB of memory in use. ENERGY: 643600 3948.6228 20428.4285 14448.2127 233.0892 -203550.3503 2839.3815 0.0000 0.0000 51990.5868 -109662.0289 298.7906 -161652.6157 -109302.6655 299.1908 81.9079 112.7539 761155.2543 -11.2164 -11.1064 PRESSURE: 643800 -2.85427 100.965 -328.303 100.965 100.139 122.313 -328.303 122.313 -142.552 GPRESSURE: 643800 -52.2097 67.0696 -290.771 -54.1827 184.6 42.9447 -277.222 96.1578 -98.739 PRESSAVG: 643800 -3.48597 2.30549 14.8757 2.30556 93.2685 -14.2891 14.8758 -14.2891 -3.52987 GPRESSAVG: 643800 -3.97208 5.13908 14.7955 1.24765 93.6038 -13.7492 14.5331 -14.5176 -3.40182 TIMING: 643800 CPU: 2025.99, 0.00313092/step Wall: 2025.99, 0.00313092/step, 3.78859 hours remaining, 234.570312 MB of memory in use. ENERGY: 643800 3977.8345 20512.4263 14440.8125 249.7072 -203271.9190 2376.7615 0.0000 0.0000 51991.3119 -109723.0650 298.7948 -161714.3769 -109360.8954 299.6250 -15.0892 11.2169 761092.6001 28.7509 28.7433 PRESSURE: 644000 -199.858 -70.6255 -6.6742 -70.6251 -123.646 157.23 -6.67388 157.23 -59.7223 GPRESSURE: 644000 -83.2451 -59.7766 98.697 -186.25 -144.13 190.85 57.8829 101.975 -71.8305 PRESSAVG: 644000 -15.2954 -32.7535 -3.34013 -32.7535 11.302 31.6193 -3.34021 31.6192 6.76792 GPRESSAVG: 644000 -14.8497 -31.4408 -1.22614 -34.4927 11.106 31.0069 -2.2843 31.2465 6.76227 TIMING: 644000 CPU: 2026.62, 0.00313313/step Wall: 2026.62, 0.00313313/step, 3.79109 hours remaining, 234.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 644000 3955.2661 20488.9304 14417.4701 239.4053 -203354.0568 2222.2210 0.0000 0.0000 52216.4561 -109814.3078 300.0887 -162030.7639 -109449.9572 299.0081 -127.7421 -99.7350 761816.3151 0.9248 1.0062 PRESSURE: 644200 252.359 -102.468 -42.2499 -102.469 277.049 173.401 -42.2486 173.401 371.435 GPRESSURE: 644200 265.646 -200.358 -35.9682 -23.3865 324.187 52.7952 -69.7724 201.409 404.399 PRESSAVG: 644200 -17.774 -37.9912 20.892 -37.9912 28.7265 37.1175 20.892 37.1174 -0.410102 GPRESSAVG: 644200 -16.4888 -40.4085 19.8931 -35.6998 27.4502 36.4789 19.3812 37.9521 -0.157982 TIMING: 644200 CPU: 2027.24, 0.00313005/step Wall: 2027.24, 0.00313005/step, 3.78719 hours remaining, 234.570312 MB of memory in use. ENERGY: 644200 4024.6486 20442.6791 14401.1624 229.9190 -203861.2982 2966.0447 0.0000 0.0000 51802.6119 -109994.2327 297.7103 -161796.8446 -109635.2593 298.5282 300.2810 331.4106 759848.3246 3.5142 3.6011 LDB: ============= START OF LOAD BALANCING ============== 2039.64 LDB: ============== END OF LOAD BALANCING =============== 2039.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2039.64 LDB: ============= START OF LOAD BALANCING ============== 2039.95 LDB: Largest compute 7038 load 0.031334 is 16.0% of average load 0.195856 LDB: Average compute 0.004362 is 2.2% of average load 0.195856 LDB: TIME 2039.95 LOAD: AVG 0.195856 MAX 0.21648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.652 MB LDB: TIME 2039.95 LOAD: AVG 0.195856 MAX 0.21648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.652 MB LDB: TIME 2039.95 LOAD: AVG 0.195856 MAX 0.21648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.652 MB LDB: ============== END OF LOAD BALANCING =============== 2039.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2039.96 PRESSURE: 644400 -294.075 -101.183 71.3817 -101.183 -157.125 275.275 71.3818 275.275 29.1501 GPRESSURE: 644400 -214.888 -138.81 58.3197 -146.706 -86.6867 304.846 -5.57656 265.458 -47.9707 PRESSAVG: 644400 29.6543 -85.8959 -31.3818 -85.8959 -47.2262 -3.75461 -31.3818 -3.75457 18.3898 GPRESSAVG: 644400 28.3405 -83.842 -31.1689 -89.0004 -46.4553 -4.20187 -31.3095 -4.26173 18.793 TIMING: 644400 CPU: 2027.88, 0.00317872/step Wall: 2027.88, 0.00317872/step, 3.8459 hours remaining, 232.531250 MB of memory in use. ENERGY: 644400 4014.5403 20507.2858 14381.1696 235.7995 -203664.7408 2498.4436 0.0000 0.0000 52052.2286 -109975.2734 299.1449 -162027.5020 -109607.0838 298.8056 -140.6832 -116.5151 760427.8584 0.2726 0.2261 PRESSURE: 644600 -53.3026 94.5329 -15.3517 94.5327 -35.718 277.859 -15.3516 277.858 283.022 GPRESSURE: 644600 19.3581 -18.0917 -50.8534 78.3606 62.9517 359.474 2.44276 301.582 201.194 PRESSAVG: 644600 -35.434 -57.3712 6.93779 -57.3712 -19.6015 72.6951 6.93781 72.6951 -21.0264 GPRESSAVG: 644600 -35.5443 -60.2335 5.92388 -55.4468 -17.7291 73.6753 7.46796 71.646 -23.021 TIMING: 644600 CPU: 2028.5, 0.00312922/step Wall: 2028.5, 0.00312922/step, 3.78583 hours remaining, 232.601562 MB of memory in use. ENERGY: 644600 3992.2435 20494.2507 14326.7782 240.2129 -203838.8610 2612.9412 0.0000 0.0000 52168.3256 -110004.1089 299.8121 -162172.4345 -109635.7966 298.8173 64.6670 94.5013 760806.2719 -25.3540 -25.4314 PRESSURE: 644800 39.2198 192.973 -128.759 192.974 295.309 -177.452 -128.759 -177.451 -113.688 GPRESSURE: 644800 21.6012 45.1746 -50.9628 272.851 267.555 -310.814 -133.381 -164.436 -18.1266 PRESSAVG: 644800 -42.6788 -29.7408 10.807 -29.7407 24.7543 -5.10338 10.807 -5.10348 6.07742 GPRESSAVG: 644800 -42.6648 -31.2376 11.2758 -30.5521 23.1868 -5.84171 10.6504 -4.1186 7.12531 TIMING: 644800 CPU: 2029.13, 0.00313036/step Wall: 2029.13, 0.00313036/step, 3.78704 hours remaining, 232.601562 MB of memory in use. ENERGY: 644800 4007.7506 20626.1833 14413.0655 238.8904 -204208.6799 2793.6632 0.0000 0.0000 52047.5162 -110081.6108 299.1178 -162129.1269 -109719.7493 299.0619 73.6137 90.3432 757579.0155 -3.9490 -4.1176 PRESSURE: 645000 -174.18 114.112 101.493 114.113 -379.222 -133.437 101.491 -133.436 -585.082 GPRESSURE: 645000 -252.678 92.6208 85.1824 115.343 -316.707 -131.143 268.726 -11.2866 -473.054 PRESSAVG: 645000 -66.0786 -18.6397 -60.7517 -18.6397 59.6537 -10.1615 -60.7518 -10.1615 -18.2648 GPRESSAVG: 645000 -66.9268 -15.839 -59.0401 -16.3459 60.4737 -10.2447 -59.3867 -9.26892 -17.4995 TIMING: 645000 CPU: 2029.75, 0.00310834/step Wall: 2029.75, 0.00310835/step, 3.76023 hours remaining, 232.601562 MB of memory in use. ENERGY: 645000 4022.1493 20667.6853 14474.3881 230.5419 -203765.6946 2454.6019 0.0000 0.0000 51819.9049 -110096.4233 297.8097 -161916.3282 -109743.0465 298.8885 -379.4945 -347.4795 760536.6706 -8.2299 -7.9842 PRESSURE: 645200 171.131 -142.651 -129.293 -142.651 -255.409 119.274 -129.293 119.274 -69.0895 GPRESSURE: 645200 195.026 -186.031 -46.9725 -46.1328 -181.017 68.997 55.8581 182.629 -92.4608 PRESSAVG: 645200 -78.7241 -17.9878 -24.262 -17.9878 -0.104885 -5.75217 -24.262 -5.75216 -11.8206 GPRESSAVG: 645200 -77.9711 -19.1647 -23.7886 -18.77 -0.249839 -5.30836 -27.7144 -5.68086 -11.8216 TIMING: 645200 CPU: 2030.37, 0.0031042/step Wall: 2030.37, 0.0031042/step, 3.75504 hours remaining, 232.601562 MB of memory in use. ENERGY: 645200 4002.2395 20565.8901 14438.7599 242.5949 -204151.5342 2834.2127 0.0000 0.0000 51956.3597 -110111.4773 298.5939 -162067.8370 -109752.0724 298.2228 -51.1225 -26.1508 760095.0997 -30.2165 -30.0142 PRESSURE: 645400 6.32304 -14.1401 182.543 -14.1397 355.187 18.4949 182.544 18.4939 0.815822 GPRESSURE: 645400 90.2997 70.1316 165.644 101.746 385.417 -24.3719 133.529 77.5529 -31.8293 PRESSAVG: 645400 -17.309 -40.9573 0.432373 -40.9573 17.3177 21.2946 0.432331 21.2946 -2.47796 GPRESSAVG: 645400 -16.8529 -41.0698 -1.08035 -40.2498 18.5956 19.9426 4.25663 19.1381 -3.40115 TIMING: 645400 CPU: 2031, 0.00312963/step Wall: 2031, 0.00312963/step, 3.78564 hours remaining, 232.601562 MB of memory in use. ENERGY: 645400 3952.6559 20532.5185 14454.7245 244.5160 -203602.1721 2644.1842 0.0000 0.0000 51884.7869 -109888.7862 298.1826 -161773.5731 -109534.3086 298.4929 120.7754 147.9624 759091.1186 -0.8231 -0.5528 PRESSURE: 645600 -80.9659 -60.1937 108.159 -60.1933 -223.784 -17.2098 108.159 -17.2103 344.804 GPRESSURE: 645600 -95.7441 -65.0058 31.8623 -135.171 -90.3926 30.165 98.1492 -64.5556 298.307 PRESSAVG: 645600 -10.135 -21.7655 33.2809 -21.7655 7.03414 -32.1198 33.2809 -32.1198 -8.58401 GPRESSAVG: 645600 -9.92876 -22.9588 32.6039 -22.0326 6.71414 -30.5425 32.2209 -30.9912 -8.04095 TIMING: 645600 CPU: 2031.63, 0.00315176/step Wall: 2031.63, 0.00315176/step, 3.81223 hours remaining, 232.601562 MB of memory in use. ENERGY: 645600 3991.4241 20485.9198 14478.0636 245.5419 -203778.0115 2676.0905 0.0000 0.0000 52058.9407 -109842.0309 299.1834 -161900.9716 -109475.6787 299.1052 13.3514 37.3900 759485.4853 -3.8950 -3.7519 PRESSURE: 645800 192.821 44.0277 202.182 44.0273 41.0644 -165.846 202.183 -165.845 -375.374 GPRESSURE: 645800 272.108 -49.0564 135.227 124.813 48.6624 -160.989 213.922 -197.081 -377.493 PRESSAVG: 645800 26.9924 -22.1632 28.4155 -22.1632 -14.1779 7.16812 28.4155 7.16812 -9.26118 GPRESSAVG: 645800 27.7967 -20.199 28.1202 -21.5975 -14.8358 6.15395 27.1474 6.31326 -9.85377 TIMING: 645800 CPU: 2032.25, 0.00312729/step Wall: 2032.25, 0.00312729/step, 3.78246 hours remaining, 232.601562 MB of memory in use. ENERGY: 645800 3976.3230 20408.6757 14437.4290 228.7234 -203512.0867 2715.1837 0.0000 0.0000 52034.2193 -109711.5327 299.0414 -161745.7520 -109348.3175 298.5098 -47.1630 -18.9073 761043.2517 1.1844 1.0357 PRESSURE: 646000 -12.4642 -21.0526 62.6776 -21.0533 296.901 126.035 62.6778 126.033 272.829 GPRESSURE: 646000 59.2218 65.0405 71.1704 -72.0761 310.815 51.8241 75.4336 196.127 278.402 PRESSAVG: 646000 0.602496 -88.404 72.4546 -88.404 16.7741 -10.8327 72.4547 -10.8327 13.0459 GPRESSAVG: 646000 0.0879841 -88.1809 71.6255 -87.9114 16.4082 -10.5356 74.7688 -7.95809 14.1915 TIMING: 646000 CPU: 2032.88, 0.00314359/step Wall: 2032.88, 0.00314359/step, 3.802 hours remaining, 232.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 646000 3984.0897 20560.8087 14375.8279 237.3403 -203671.4138 2760.2144 0.0000 0.0000 52029.0711 -109724.0617 299.0118 -161753.1328 -109366.4058 298.8390 185.7554 216.1464 760080.1870 10.1409 10.2292 PRESSURE: 646200 2.16625 176.288 -13.345 176.288 -100.776 -171.981 -13.346 -171.981 165.863 GPRESSURE: 646200 -9.08919 75.0122 19.9908 63.0219 -18.2185 -175.715 -75.1354 -176.15 195.879 PRESSAVG: 646200 17.2396 -66.3484 20.1547 -66.3484 -8.25948 8.25632 20.1547 8.25634 15.1886 GPRESSAVG: 646200 17.3197 -66.5425 21.335 -66.635 -6.81129 10.233 21.4789 6.2466 13.8493 TIMING: 646200 CPU: 2033.52, 0.00316357/step Wall: 2033.52, 0.00316357/step, 3.82599 hours remaining, 232.601562 MB of memory in use. ENERGY: 646200 3989.1176 20491.9170 14411.0404 251.3351 -203223.4549 2442.1603 0.0000 0.0000 51831.3654 -109806.5190 297.8756 -161637.8844 -109444.3537 298.4711 22.4177 56.1905 760583.4265 8.0562 8.1192 PRESSURE: 646400 -151.688 107.717 81.608 107.716 -235.614 -188.224 81.6076 -188.226 362.813 GPRESSURE: 646400 -131.014 14.9026 98.47 4.85264 -111.304 -212.241 76.9637 -177.544 301.669 PRESSAVG: 646400 22.0764 -18.9179 49.0761 -18.9179 -19.2683 -3.34406 49.0761 -3.34404 -10.8942 GPRESSAVG: 646400 22.6536 -19.7811 50.3919 -21.0906 -21.0415 -3.73731 47.987 -3.56029 -9.85861 TIMING: 646400 CPU: 2034.14, 0.00313975/step Wall: 2034.14, 0.00313975/step, 3.79701 hours remaining, 232.601562 MB of memory in use. ENERGY: 646400 3892.0707 20613.6708 14445.4029 236.1261 -203757.1171 2674.0796 0.0000 0.0000 52253.3481 -109642.4190 300.3007 -161895.7671 -109271.5715 298.6432 -8.1630 19.7834 762641.5882 -2.6953 -2.7488 PRESSURE: 646600 -262.096 104.79 178.816 104.789 -290.027 -22.9579 178.817 -22.9561 -302.846 GPRESSURE: 646600 -219.101 43.8738 224.1 184.191 -304.056 2.01667 120.463 -154.67 -251.698 PRESSAVG: 646600 28.5855 37.0379 65.7524 37.0378 3.67126 -26.5032 65.7524 -26.5032 6.85244 GPRESSAVG: 646600 27.6762 36.3621 65.9932 38.4704 3.80524 -26.8396 62.8701 -27.2168 7.11565 TIMING: 646600 CPU: 2034.77, 0.00313523/step Wall: 2034.77, 0.00313523/step, 3.79137 hours remaining, 232.601562 MB of memory in use. ENERGY: 646600 3997.7603 20554.5931 14446.2590 242.2254 -203716.4520 2723.9928 0.0000 0.0000 52217.7156 -109533.9059 300.0959 -161751.6214 -109160.3221 299.4002 -284.9893 -258.2848 762130.6483 13.0364 12.8657 PRESSURE: 646800 -43.9142 -2.81364 -32.6475 -2.81314 -188.731 -19.1031 -32.6468 -19.1034 -280.411 GPRESSURE: 646800 15.9054 45.802 -36.2409 70.3917 -132.864 -9.74709 71.5401 72.2981 -321.507 PRESSAVG: 646800 -7.28661 -22.028 -23.6744 -22.0281 -3.24585 -1.05914 -23.6744 -1.05917 -10.5251 GPRESSAVG: 646800 -7.9464 -20.5231 -24.7901 -21.7798 -2.17436 -0.0595681 -20.9281 -0.0799592 -11.0164 TIMING: 646800 CPU: 2035.4, 0.00313298/step Wall: 2035.4, 0.00313298/step, 3.78847 hours remaining, 232.601562 MB of memory in use. ENERGY: 646800 4029.7065 20586.2876 14448.4854 246.0043 -203456.4447 2527.8002 0.0000 0.0000 52175.5760 -109442.5847 299.8538 -161618.1607 -109076.8373 299.3996 -171.0187 -146.1554 761041.6201 -7.0192 -7.0457 PRESSURE: 647000 246.941 17.059 -203.418 17.0592 -145.304 -7.97424 -203.418 -7.97535 -84.4034 GPRESSURE: 647000 308.65 54.9873 -293.075 -51.0562 -77.5358 22.9348 -167.991 -66.6074 -120.892 PRESSAVG: 647000 84.2213 -19.6252 -7.45989 -19.6251 -37.0764 7.71679 -7.45986 7.71682 4.51933 GPRESSAVG: 647000 84.4241 -18.8404 -8.14493 -21.957 -38.0547 6.76252 -8.24116 8.00576 5.14521 TIMING: 647000 CPU: 2036.02, 0.00313472/step Wall: 2036.02, 0.00313472/step, 3.7904 hours remaining, 232.601562 MB of memory in use. ENERGY: 647000 4015.0537 20668.0854 14446.5981 252.9894 -203120.0197 2237.2567 0.0000 0.0000 52116.1539 -109383.8825 299.5123 -161500.0364 -109020.9429 300.1332 5.7444 36.7406 759561.4555 17.2214 17.1716 PRESSURE: 647200 -52.024 -49.0929 55.6687 -49.0916 -105.359 66.0973 55.6691 66.0979 -592.886 GPRESSURE: 647200 5.99146 -56.5058 101.101 17.1132 -118.598 60.6988 106.738 54.1771 -565.818 PRESSAVG: 647200 8.63456 -13.085 2.88041 -13.085 -15.4725 30.0794 2.8804 30.0795 10.0951 GPRESSAVG: 647200 8.3904 -15.7575 3.36646 -11.7251 -15.4018 31.5294 2.25978 29.2665 10.3705 TIMING: 647200 CPU: 2036.65, 0.00314852/step Wall: 2036.65, 0.00314852/step, 3.80691 hours remaining, 232.601562 MB of memory in use. ENERGY: 647200 4042.4393 20593.9440 14471.2623 243.6418 -203187.9803 2316.0807 0.0000 0.0000 51938.0402 -109582.5720 298.4886 -161520.6122 -109215.1093 299.5810 -250.0895 -226.1414 760025.7046 1.0857 1.1197 PRESSURE: 647400 -334.346 -84.1137 -207.812 -84.1144 -5.52486 -87.7458 -207.811 -87.7455 -47.3741 GPRESSURE: 647400 -240.438 -11.1363 -201.135 4.47605 -3.74323 -79.6252 -205.435 -194.737 -52.2493 PRESSAVG: 647400 4.83516 -55.0089 5.85987 -55.0089 46.7458 43.7937 5.85986 43.7937 14.745 GPRESSAVG: 647400 5.20409 -53.5745 4.79598 -54.3696 47.089 44.015 6.9783 43.8736 13.82 TIMING: 647400 CPU: 2037.28, 0.00314096/step Wall: 2037.28, 0.00314096/step, 3.7976 hours remaining, 232.601562 MB of memory in use. ENERGY: 647400 4027.0202 20475.7753 14364.0049 239.0101 -203592.2294 2722.0542 0.0000 0.0000 52184.6195 -109579.7453 299.9057 -161764.3648 -109206.8818 299.5058 -129.0815 -98.8102 759786.4951 22.1087 22.0377 PRESSURE: 647600 126.961 6.7403 -68.6751 6.73998 -227.771 -76.309 -68.6743 -76.31 -303.979 GPRESSURE: 647600 101.531 46.9834 -140.972 79.4694 -154.35 -16.7517 -72.6252 -94.5448 -261.521 PRESSAVG: 647600 -22.2078 -40.2361 -22.8776 -40.2361 20.8915 -32.9091 -22.8776 -32.9092 -8.23301 GPRESSAVG: 647600 -22.3366 -43.1274 -20.4978 -40.4411 21.4779 -34.8191 -23.4494 -32.4579 -8.7939 TIMING: 647600 CPU: 2037.92, 0.00317514/step Wall: 2037.92, 0.00317514/step, 3.83874 hours remaining, 232.601562 MB of memory in use. ENERGY: 647600 3981.6038 20659.5067 14426.2661 243.8399 -203646.9926 2727.0770 0.0000 0.0000 52039.2744 -109569.4247 299.0704 -161608.6991 -109204.0669 299.6325 -134.9300 -104.7801 760828.0960 -3.1831 -3.2175 PRESSURE: 647800 -211.24 35.2279 -18.75 35.2281 -466.407 254.393 -18.749 254.393 89.0943 GPRESSURE: 647800 -141.615 96.8242 -37.7674 71.5492 -435.728 207.974 -72.8269 284.085 76.0488 PRESSAVG: 647800 5.81195 -29.9326 -57.0883 -29.9325 8.48932 32.9913 -57.0883 32.9913 10.3389 GPRESSAVG: 647800 6.02134 -27.1554 -56.7698 -28.7261 7.37232 33.8462 -57.4228 32.918 11.3932 TIMING: 647800 CPU: 2038.55, 0.00315158/step Wall: 2038.55, 0.00315158/step, 3.81008 hours remaining, 232.601562 MB of memory in use. ENERGY: 647800 4006.5295 20366.5467 14477.5122 236.3071 -203071.0154 2289.6788 0.0000 0.0000 52068.6255 -109625.8156 299.2391 -161694.4411 -109255.2961 299.9735 -196.1843 -167.0982 761577.6105 8.2134 8.2623 PRESSURE: 648000 -52.4263 102.425 142.397 102.425 -180.233 145.651 142.396 145.65 374.411 GPRESSURE: 648000 -17.0853 60.8427 161.305 32.5671 -46.0908 188.442 226.111 156.68 290.311 PRESSAVG: 648000 23.5034 -56.7503 14.3631 -56.7503 -7.31094 67.6285 14.363 67.6285 -4.18964 GPRESSAVG: 648000 24.0017 -57.7539 13.5354 -58.2067 -6.70011 66.7274 14.1981 67.6894 -5.24091 TIMING: 648000 CPU: 2039.18, 0.0031458/step Wall: 2039.18, 0.0031458/step, 3.80292 hours remaining, 232.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 648000 3960.0963 20547.0839 14417.3955 253.7631 -203441.6713 2518.1593 0.0000 0.0000 51977.0482 -109768.1249 298.7128 -161745.1732 -109408.5692 299.1738 47.2505 75.7118 761857.3336 4.0009 4.0202 PRESSURE: 648200 -354.451 -271.934 113.217 -271.936 -252.471 -36.9681 113.216 -36.9681 28.6476 GPRESSURE: 648200 -309.557 -76.9788 172.587 -316.827 -150.538 -20.4302 115.565 -122.7 -18.0254 PRESSAVG: 648200 35.2099 -1.08616 29.5599 -1.08609 -24.2435 76.9657 29.5598 76.9657 -35.5822 GPRESSAVG: 648200 34.5898 -0.996315 29.1293 -1.72206 -23.3259 76.8801 29.997 77.192 -35.8637 TIMING: 648200 CPU: 2039.8, 0.00314139/step Wall: 2039.8, 0.00314139/step, 3.79742 hours remaining, 232.601562 MB of memory in use. ENERGY: 648200 3936.1367 20445.6957 14399.0920 236.1553 -203450.5054 2680.4128 0.0000 0.0000 52042.8043 -109710.2086 299.0907 -161753.0129 -109337.7867 298.7138 -192.7582 -159.3735 760750.3827 -8.2052 -8.1999 LDB: ============= START OF LOAD BALANCING ============== 2052.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2052.2 LDB: =============== DONE WITH MIGRATION ================ 2052.21 LDB: ============= START OF LOAD BALANCING ============== 2052.52 LDB: Largest compute 7036 load 0.032144 is 16.4% of average load 0.195759 LDB: Average compute 0.004374 is 2.2% of average load 0.195759 LDB: TIME 2052.53 LOAD: AVG 0.195759 MAX 0.214975 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.758 MB LDB: TIME 2052.53 LOAD: AVG 0.195759 MAX 0.214975 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: TIME 2052.53 LOAD: AVG 0.195759 MAX 0.214975 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: ============== END OF LOAD BALANCING =============== 2052.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2052.53 PRESSURE: 648400 -95.3328 147.186 -61.4247 147.186 159.714 -50.5696 -61.4251 -50.5695 113.337 GPRESSURE: 648400 -59.3266 142.461 -123.383 216.153 213.527 -3.97274 -138.444 -114.991 95.0188 PRESSAVG: 648400 -34.0253 -0.773509 4.27048 -0.773503 30.8537 -24.0839 4.27053 -24.0839 -1.72224 GPRESSAVG: 648400 -32.6629 -0.262514 3.70751 0.356809 28.4984 -23.5803 4.86137 -24.6423 -0.762458 TIMING: 648400 CPU: 2040.45, 0.00322512/step Wall: 2040.45, 0.00322512/step, 3.89846 hours remaining, 232.824219 MB of memory in use. ENERGY: 648400 3935.1481 20399.8662 14402.0579 253.6454 -203360.7423 2613.4701 0.0000 0.0000 51971.2938 -109785.2606 298.6797 -161756.5545 -109415.9919 298.8501 59.2396 83.0729 760634.4136 -1.6313 -1.6423 PRESSURE: 648600 118.977 -220.595 -150.14 -220.595 51.2315 -77.4083 -150.139 -77.4101 -307.542 GPRESSURE: 648600 126.093 -198.709 -30.4594 -149.621 82.0371 40.5508 -175.929 -94.9385 -266.237 PRESSAVG: 648600 24.1181 -2.83193 29.767 -2.83195 42.3835 61.0427 29.767 61.0426 4.25724 GPRESSAVG: 648600 23.5058 -3.23402 30.7502 -2.91621 42.7279 60.1392 28.5747 62.2674 4.27243 TIMING: 648600 CPU: 2041.08, 0.00314705/step Wall: 2041.08, 0.00314705/step, 3.80391 hours remaining, 232.824219 MB of memory in use. ENERGY: 648600 3933.9088 20384.7809 14488.8835 239.1591 -203331.7785 2411.0518 0.0000 0.0000 52166.3207 -109707.6738 299.8006 -161873.9945 -109343.9901 299.1967 -45.7777 -19.3691 759532.6691 23.5863 23.5020 PRESSURE: 648800 -71.3349 -113.32 80.1673 -113.32 -345.592 -365.862 80.1674 -365.863 50.0552 GPRESSURE: 648800 -81.6117 -145.567 0.087813 -126.015 -253.503 -364.485 103.22 -404.022 57.355 PRESSAVG: 648800 37.9911 -47.2457 -38.026 -47.2457 -12.4271 1.78602 -38.0261 1.78595 19.0804 GPRESSAVG: 648800 38.6016 -46.9485 -36.9142 -44.3026 -11.9439 3.04126 -39.038 0.879904 17.9374 TIMING: 648800 CPU: 2041.71, 0.00314268/step Wall: 2041.71, 0.00314269/step, 3.79846 hours remaining, 232.824219 MB of memory in use. ENERGY: 648800 4047.6400 20586.1156 14343.7403 249.0247 -203071.5685 2286.2316 0.0000 0.0000 51896.3244 -109662.4919 298.2489 -161558.8163 -109314.8076 299.1603 -122.2904 -92.5865 761261.6019 14.8815 14.8650 PRESSURE: 649000 241.653 -35.2873 115.826 -35.2872 591.283 111.785 115.825 111.785 62.3657 GPRESSURE: 649000 396.798 125.025 104.75 -107.122 477.632 110.702 35.9863 229.431 114.535 PRESSAVG: 649000 -41.0367 -21.5624 3.42397 -21.5624 38.7661 10.551 3.42398 10.551 2.2333 GPRESSAVG: 649000 -41.1557 -21.5622 2.8709 -26.4865 37.5442 10.3042 4.96491 11.3033 3.22995 TIMING: 649000 CPU: 2042.34, 0.00315578/step Wall: 2042.34, 0.00315578/step, 3.81412 hours remaining, 232.824219 MB of memory in use. ENERGY: 649000 3989.4647 20249.0633 14319.8366 264.5184 -203093.3952 2632.8988 0.0000 0.0000 51901.4785 -109736.1349 298.2785 -161637.6133 -109373.4714 298.8251 298.4340 329.6546 759997.8679 -0.0124 -0.1272 PRESSURE: 649200 -123.222 -109.097 76.9795 -109.098 -217.919 240.797 76.98 240.798 107.29 GPRESSURE: 649200 -84.3263 -107.855 173.019 -173.085 -155.289 209.266 82.3266 233.999 78.3499 PRESSAVG: 649200 16.7474 -79.6661 75.4386 -79.6661 20.1364 28.3239 75.4387 28.3239 18.2153 GPRESSAVG: 649200 15.7321 -79.4137 75.726 -78.352 20.7668 28.53 73.4774 28.6578 18.5098 TIMING: 649200 CPU: 2042.97, 0.00313754/step Wall: 2042.97, 0.00313754/step, 3.79189 hours remaining, 232.824219 MB of memory in use. ENERGY: 649200 4019.2836 20426.2004 14469.0558 267.7368 -203350.5428 2548.1067 0.0000 0.0000 52103.2683 -109516.8913 299.4382 -161620.1596 -109162.5444 298.8925 -77.9502 -53.7553 761649.5339 18.3664 18.3362 PRESSURE: 649400 31.0379 -2.02348 -33.7333 -2.02401 27.3588 118.273 -33.7346 118.273 332.524 GPRESSURE: 649400 52.1058 -32.1001 -10.9392 -99.4703 95.9051 167.808 -58.895 120.654 326.928 PRESSAVG: 649400 -3.06958 -21.1837 23.5921 -21.1838 -5.81053 66.0753 23.5922 66.0753 9.79986 GPRESSAVG: 649400 -2.06003 -23.6213 23.2227 -20.2555 -6.24138 65.8012 24.3582 65.1455 9.5205 TIMING: 649400 CPU: 2043.59, 0.00313839/step Wall: 2043.59, 0.00313839/step, 3.79274 hours remaining, 232.824219 MB of memory in use. ENERGY: 649400 3812.5297 20519.7447 14472.7161 261.5236 -203358.9897 2519.2591 0.0000 0.0000 51823.2831 -109949.9333 297.8291 -161773.2164 -109588.0331 298.7503 130.3069 158.3130 761072.5348 0.3066 0.4064 PRESSURE: 649600 493.995 -42.6771 80.4291 -42.6769 -315.367 -17.8093 80.4286 -17.8077 0.512394 GPRESSURE: 649600 508.839 -70.327 78.4164 10.5367 -189.916 48.5197 95.3095 -44.4178 -58.943 PRESSAVG: 649600 28.5552 -42.5186 24.9486 -42.5186 -37.95 51.9872 24.9486 51.9872 2.65553 GPRESSAVG: 649600 28.2843 -41.0339 24.8045 -42.4289 -36.88 50.9965 24.7187 51.7707 1.79019 TIMING: 649600 CPU: 2044.22, 0.00314976/step Wall: 2044.22, 0.00314976/step, 3.80631 hours remaining, 232.824219 MB of memory in use. ENERGY: 649600 4022.2981 20403.8458 14441.6008 258.6010 -203391.2328 2531.9645 0.0000 0.0000 51864.7489 -109868.1735 298.0674 -161732.9225 -109498.6515 298.3198 59.7135 86.6598 761151.0199 -2.2464 -2.2685 PRESSURE: 649800 240.22 14.0541 -30.001 14.0537 293.267 104.309 -30.0015 104.309 -198.567 GPRESSURE: 649800 318.338 10.0145 -32.9037 43.284 253.384 141.879 -27.0071 -25.1893 -135.469 PRESSAVG: 649800 31.9866 1.72986 -7.32112 1.72989 -4.73063 11.4727 -7.32113 11.4726 8.98049 GPRESSAVG: 649800 30.9876 0.679602 -7.26515 4.26801 -4.46676 10.7743 -7.84559 12.3049 9.97102 TIMING: 649800 CPU: 2044.85, 0.00314987/step Wall: 2044.85, 0.00314987/step, 3.80627 hours remaining, 232.824219 MB of memory in use. ENERGY: 649800 3945.8535 20396.3393 14440.9095 247.2054 -203950.1536 3214.8262 0.0000 0.0000 52060.9940 -109644.0257 299.1952 -161705.0197 -109285.3508 298.9386 111.6397 145.4175 761517.9600 12.0788 12.1639 PRESSURE: 650000 -60.2515 -66.8986 21.2332 -66.8989 -250.669 262.337 21.2338 262.337 184.183 GPRESSURE: 650000 -53.093 -143.518 93.6804 -67.107 -205.014 194.954 27.5435 285.526 223.757 PRESSAVG: 650000 31.0864 -7.61609 17.237 -7.6161 5.35706 59.6036 17.237 59.6035 0.510398 GPRESSAVG: 650000 31 -6.76019 16.5893 -10.5146 4.81267 59.9788 18.3721 59.3679 1.23998 TIMING: 650000 CPU: 2045.48, 0.0031378/step Wall: 2045.48, 0.0031378/step, 3.79151 hours remaining, 232.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 650000 3947.1175 20483.5956 14468.7028 243.0197 -203674.6371 2871.7593 0.0000 0.0000 52019.8195 -109640.6227 298.9586 -161660.4422 -109279.6139 299.2724 -42.2458 -11.4499 762060.3801 12.3180 12.3509 PRESSURE: 650200 185.459 -171.867 51.4187 -171.867 -176.264 316.393 51.4188 316.392 14.3519 GPRESSURE: 650200 270.219 -84.3604 46.493 -294.406 -116.844 310.913 102.852 253.409 -36.1696 PRESSAVG: 650200 56.0695 -6.36567 -52.9147 -6.3656 -77.5573 44.0931 -52.9147 44.0931 -40.7988 GPRESSAVG: 650200 57.4234 -6.11202 -53.6506 -5.38412 -76.7359 45.4011 -52.5098 43.1579 -43.0283 TIMING: 650200 CPU: 2046.11, 0.00313601/step Wall: 2046.11, 0.00313601/step, 3.78917 hours remaining, 232.824219 MB of memory in use. ENERGY: 650200 3953.5710 20611.3570 14350.5161 232.9985 -203386.9285 2453.9325 0.0000 0.0000 51956.3508 -109828.2026 298.5939 -161784.5535 -109473.3627 298.9191 7.8487 39.0684 761023.2893 -20.7622 -20.7803 PRESSURE: 650400 -177.709 -73.3426 -273.477 -73.3416 -56.1956 -258.74 -273.477 -258.741 195.827 GPRESSURE: 650400 -171.381 -42.4126 -284.243 -26.3429 22.68 -217.537 -287.809 -174.664 196.013 PRESSAVG: 650400 5.64038 -0.113771 -8.4101 -0.113725 16.3056 -28.2066 -8.41013 -28.2065 -0.663179 GPRESSAVG: 650400 5.32958 -0.186534 -7.75022 -0.942952 16.0564 -30.0396 -8.6351 -28.2738 0.175491 TIMING: 650400 CPU: 2046.73, 0.00312996/step Wall: 2046.73, 0.00312996/step, 3.78169 hours remaining, 232.824219 MB of memory in use. ENERGY: 650400 3985.6279 20379.2443 14408.2351 250.4124 -203463.8776 2618.6275 0.0000 0.0000 51913.3711 -109908.3593 298.3469 -161821.7303 -109554.0560 298.3193 -12.6923 15.7706 761280.2337 7.0943 7.1872 PRESSURE: 650600 -110.008 -47.1717 292.858 -47.1718 -107.98 4.60975 292.858 4.61007 105.637 GPRESSURE: 650600 -61.8959 -93.476 336.05 38.7229 -49.1114 16.7793 221.321 -88.723 83.6457 PRESSAVG: 650600 18.1503 -80.6709 15.6729 -80.6709 4.98094 41.1024 15.673 41.1023 13.0121 GPRESSAVG: 650600 17.7607 -79.7685 17.3228 -80.1762 5.28528 41.9387 13.7025 41.8623 12.6295 TIMING: 650600 CPU: 2047.36, 0.00314209/step Wall: 2047.36, 0.00314208/step, 3.79616 hours remaining, 232.824219 MB of memory in use. ENERGY: 650600 3949.4486 20334.2618 14457.6616 238.5796 -202960.3482 2298.1902 0.0000 0.0000 51857.0412 -109825.1652 298.0231 -161682.2064 -109468.3516 298.4010 -37.4504 -9.1205 761895.3300 12.0478 11.8918 PRESSURE: 650800 84.2713 -15.0414 121.54 -15.0418 90.3232 82.0854 121.54 82.0872 -183.108 GPRESSURE: 650800 134.325 -82.0074 123.313 -66.8882 70.9064 119.122 67.8206 37.1731 -138.815 PRESSAVG: 650800 24.1709 -55.1376 6.06153 -55.1376 14.039 36.7243 6.06153 36.7243 12.5406 GPRESSAVG: 650800 24.3557 -55.8512 4.10371 -55.2942 12.2172 37.3455 5.71374 35.5682 14.0223 TIMING: 650800 CPU: 2047.99, 0.00314715/step Wall: 2047.99, 0.00314715/step, 3.8021 hours remaining, 232.824219 MB of memory in use. ENERGY: 650800 3938.3341 20472.3223 14418.6018 229.4363 -203822.3545 2933.2642 0.0000 0.0000 52004.1434 -109826.2525 298.8685 -161830.3959 -109467.0364 297.9282 -2.8378 22.1387 761688.5868 16.9168 16.8650 PRESSURE: 651000 204.943 -223.238 63.9472 -223.238 -158.584 -76.6075 63.9471 -76.6071 30.3429 GPRESSURE: 651000 321.561 -212.591 62.393 -127.997 -149.946 -7.77586 51.2324 2.22164 5.14578 PRESSAVG: 651000 29.7193 -33.2928 -35.888 -33.2928 -79.9197 8.03813 -35.888 8.03812 -4.90318 GPRESSAVG: 651000 29.1614 -32.2347 -36.3266 -35.3838 -78.7604 7.97186 -35.4216 9.40138 -5.31006 TIMING: 651000 CPU: 2048.62, 0.003136/step Wall: 2048.62, 0.003136/step, 3.78846 hours remaining, 232.824219 MB of memory in use. ENERGY: 651000 3960.4147 20455.4704 14381.4761 230.1954 -203253.6857 2707.9684 0.0000 0.0000 51882.2625 -109635.8981 298.1681 -161518.1606 -109274.8736 298.4600 25.5673 58.9203 764088.1359 -18.3679 -18.3030 PRESSURE: 651200 41.6398 -50.1871 47.3993 -50.1867 58.4494 -44.2252 47.3996 -44.2255 -125.444 GPRESSURE: 651200 53.4985 35.9091 98.4902 -65.9827 44.1211 -102.251 50.0066 60.1559 -40.6522 PRESSAVG: 651200 70.6533 -20.3596 -3.17378 -20.3596 -49.1751 43.7286 -3.1738 43.7286 -18.903 GPRESSAVG: 651200 71.9678 -21.9637 -1.59614 -18.7736 -50.0773 44.8071 -2.70424 42.7769 -18.7323 TIMING: 651200 CPU: 2049.25, 0.00312786/step Wall: 2049.25, 0.00312786/step, 3.77846 hours remaining, 232.824219 MB of memory in use. ENERGY: 651200 4012.1301 20476.9931 14460.0566 248.0370 -203031.3791 2457.4657 0.0000 0.0000 51904.1554 -109472.5411 298.2939 -161376.6965 -109119.0625 299.0302 -8.4515 18.9891 763083.2818 0.8584 1.0527 PRESSURE: 651400 -151.995 127.685 111.44 127.684 -187.195 100.805 111.441 100.805 -134.447 GPRESSURE: 651400 -180.6 134.556 158.89 64.1746 -109.869 54.1026 50.369 2.23895 -75.2589 PRESSAVG: 651400 61.4268 -61.1264 33.055 -61.1264 -31.9408 8.37272 33.0551 8.3727 -25.2804 GPRESSAVG: 651400 62.2683 -59.4709 33.0944 -63.3755 -32.2609 6.43044 32.843 7.35483 -25.2984 TIMING: 651400 CPU: 2049.87, 0.0031369/step Wall: 2049.87, 0.0031369/step, 3.7892 hours remaining, 232.824219 MB of memory in use. ENERGY: 651400 3989.1593 20331.6221 14441.9484 225.6230 -203092.3042 2363.2422 0.0000 0.0000 52017.3197 -109723.3894 298.9443 -161740.7090 -109356.3925 298.6751 -157.8790 -121.9093 762993.3798 1.4019 1.5697 PRESSURE: 651600 154.941 -154.331 360.895 -154.331 106.183 -234.992 360.896 -234.992 353.771 GPRESSURE: 651600 265.215 -79.3705 337.536 -94.2904 107.604 -185.457 346.483 -178.881 335.961 PRESSAVG: 651600 16.3922 -22.154 11.2533 -22.1541 -16.664 -23.8479 11.2533 -23.8479 2.57605 GPRESSAVG: 651600 16.1838 -22.4559 10.2868 -19.8122 -15.5795 -22.0458 12.0413 -25.5906 2.14296 TIMING: 651600 CPU: 2050.5, 0.00315358/step Wall: 2050.5, 0.00315358/step, 3.80917 hours remaining, 232.824219 MB of memory in use. ENERGY: 651600 4030.1313 20429.6382 14412.8688 251.4680 -203552.5011 2809.0041 0.0000 0.0000 52042.4421 -109576.9486 299.0886 -161619.3907 -109231.4969 298.7642 204.9649 236.2601 761840.8117 0.7681 0.9157 PRESSURE: 651800 -176.367 39.4026 -38.3655 39.4028 -251.363 -171.263 -38.366 -171.264 63.5016 GPRESSURE: 651800 -115.154 -149.858 -34.6723 56.2144 -195.656 -233.348 2.85909 -115.785 57.6733 PRESSAVG: 651800 63.7486 81.2951 35.1833 81.295 -65.3178 68.8711 35.1833 68.871 14.5345 GPRESSAVG: 651800 64.0472 80.2777 35.6275 80.0251 -66.5086 67.5815 36.0828 72.2907 15.4965 TIMING: 651800 CPU: 2051.14, 0.00317359/step Wall: 2051.14, 0.00317359/step, 3.83317 hours remaining, 232.824219 MB of memory in use. ENERGY: 651800 3979.3439 20603.1133 14467.1943 251.9834 -203101.9126 2537.0443 0.0000 0.0000 51742.3304 -109520.9030 297.3639 -161263.2334 -109161.6789 298.9396 -121.4097 -84.3790 762569.8977 4.3218 4.3450 PRESSURE: 652000 58.2671 -63.4149 159.613 -63.4153 -228.113 -33.0563 159.613 -33.0547 82.1481 GPRESSURE: 652000 122.754 13.2153 162.283 -116.929 -255.179 -85.9165 -14.4701 26.4515 118.057 PRESSAVG: 652000 55.1586 2.22374 9.61792 2.2238 -46.8404 -21.6809 9.61789 -21.6809 29.795 GPRESSAVG: 652000 54.774 2.5649 8.62575 3.65195 -47.0619 -22.1729 8.52564 -19.8729 29.6938 TIMING: 652000 CPU: 2051.77, 0.00315647/step Wall: 2051.77, 0.00315647/step, 3.81232 hours remaining, 232.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 652000 3961.0677 20384.5056 14446.4638 240.1855 -203699.1190 2717.8782 0.0000 0.0000 52459.1728 -109489.8454 301.4836 -161949.0182 -109123.4421 299.4058 -29.2326 -4.7891 760521.5142 12.7044 12.4686 PRESSURE: 652200 86.2977 -263.161 -106.83 -263.161 -145.119 16.2589 -106.829 16.2585 -178.01 GPRESSURE: 652200 40.0881 -223.348 -101.429 -232.425 -82.4417 -50.026 -7.53057 90.9654 -98.1685 PRESSAVG: 652200 -40.6318 -9.07841 -47.1646 -9.07841 7.75406 -0.552098 -47.1646 -0.552029 -5.29339 GPRESSAVG: 652200 -41.3353 -8.41382 -46.093 -10.2871 8.9154 0.0610155 -47.0905 -1.24156 -6.07638 TIMING: 652200 CPU: 2052.4, 0.00312792/step Wall: 2052.4, 0.00312792/step, 3.77765 hours remaining, 232.824219 MB of memory in use. ENERGY: 652200 4006.8243 20438.7359 14482.2067 257.3135 -203448.3094 2760.7610 0.0000 0.0000 52116.6933 -109385.7746 299.5154 -161502.4679 -109021.2617 299.7413 -78.9437 -46.8407 761034.6549 -12.7237 -12.8321 LDB: ============= START OF LOAD BALANCING ============== 2064.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2064.79 LDB: =============== DONE WITH MIGRATION ================ 2064.79 LDB: ============= START OF LOAD BALANCING ============== 2065.11 LDB: Largest compute 7056 load 0.034025 is 17.4% of average load 0.195787 LDB: Average compute 0.004400 is 2.2% of average load 0.195787 LDB: TIME 2065.11 LOAD: AVG 0.195787 MAX 0.218085 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.371 MB LDB: TIME 2065.11 LOAD: AVG 0.195787 MAX 0.218085 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.484 MB LDB: TIME 2065.11 LOAD: AVG 0.195787 MAX 0.218085 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.484 MB LDB: ============== END OF LOAD BALANCING =============== 2065.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2065.12 PRESSURE: 652400 -291.14 -100.023 -193.69 -100.023 -508.472 131.283 -193.69 131.284 -202.529 GPRESSURE: 652400 -169.744 -83.989 -208.579 -46.6732 -521.13 71.0586 -156.202 137.542 -226.946 PRESSAVG: 652400 4.64811 -18.4841 -21.5006 -18.4841 17.9153 -20.5836 -21.5005 -20.5835 0.443276 GPRESSAVG: 652400 5.06464 -18.4916 -21.9658 -19.5546 17.9769 -19.6304 -19.6247 -24.6869 -0.0950739 TIMING: 652400 CPU: 2053.04, 0.00320959/step Wall: 2053.04, 0.00320959/step, 3.87611 hours remaining, 231.984375 MB of memory in use. ENERGY: 652400 4006.2168 20491.7240 14464.6656 263.2665 -203285.6562 2601.6977 0.0000 0.0000 52181.8279 -109276.2576 299.8897 -161458.0855 -108904.2400 299.6858 -334.0471 -305.9401 762484.2762 7.6689 7.6488 PRESSURE: 652600 -7.13112 -178.059 -4.22757 -178.059 -117.458 -38.7874 -4.22734 -38.786 88.6997 GPRESSURE: 652600 70.2699 -121.134 33.745 -158.683 -57.0178 1.76895 31.6554 -3.57125 25.6263 PRESSAVG: 652600 41.2364 -6.37007 -58.1255 -6.37005 -53.1177 57.5487 -58.1255 57.5487 -2.38815 GPRESSAVG: 652600 40.5512 -8.35455 -57.9496 -4.99387 -52.642 55.2065 -57.9852 60.9201 -2.03979 TIMING: 652600 CPU: 2053.67, 0.00314268/step Wall: 2053.67, 0.00314268/step, 3.79514 hours remaining, 232.074219 MB of memory in use. ENERGY: 652600 3977.8116 20572.0994 14412.6586 238.4082 -203416.8828 2643.0556 0.0000 0.0000 52172.1923 -109400.6572 299.8343 -161572.8495 -109038.4205 300.1606 -11.9633 12.9594 760845.2465 -4.7565 -4.7102 PRESSURE: 652800 -141.196 8.27215 -192.799 8.27157 -8.63889 64.0686 -192.798 64.0689 147.872 GPRESSURE: 652800 -160 58.4306 -186.247 47.1147 52.3657 71.5865 -233.615 116.909 174.957 PRESSAVG: 652800 11.5435 -36.184 -24.8959 -36.184 -6.66192 -5.35396 -24.8959 -5.35399 19.3833 GPRESSAVG: 652800 11.6794 -33.9939 -24.0587 -37.2958 -8.03855 -3.8384 -26.8112 -5.69287 19.79 TIMING: 652800 CPU: 2054.3, 0.003148/step Wall: 2054.3, 0.003148/step, 3.80139 hours remaining, 232.144531 MB of memory in use. ENERGY: 652800 3935.6685 20635.3483 14386.3077 232.6599 -203483.2946 2804.6489 0.0000 0.0000 52106.3382 -109382.3231 299.4558 -161488.6613 -109000.4757 299.7498 -0.6542 22.4406 761680.0117 8.0883 7.8103 PRESSURE: 653000 32.2362 63.9338 -212.916 63.9326 -288.885 -55.9189 -212.917 -55.9187 -177.351 GPRESSURE: 653000 75.9182 136.253 -178.711 69.2085 -257.902 -124.083 -204.251 3.93304 -169.056 PRESSAVG: 653000 34.5541 -33.4158 32.6808 -33.4157 -5.6108 11.4684 32.6808 11.4683 10.8368 GPRESSAVG: 653000 34.1879 -35.2603 31.6922 -30.2089 -4.10714 11.4796 30.0256 10.6938 9.75003 TIMING: 653000 CPU: 2054.93, 0.00315771/step Wall: 2054.93, 0.00315771/step, 3.81293 hours remaining, 232.144531 MB of memory in use. ENERGY: 653000 4044.7887 20622.9861 14404.7854 241.2008 -203234.6034 2474.5889 0.0000 0.0000 51952.7290 -109493.5245 298.5730 -161446.2535 -109134.2476 299.8371 -144.6665 -117.0133 759881.8839 13.2600 13.2769 PRESSURE: 653200 -106.147 -21.9561 -7.49661 -21.9563 281.064 56.1836 -7.49649 56.1829 -128.776 GPRESSURE: 653200 1.43453 -107.694 35.0743 -148.686 225.307 -2.28175 -34.272 10.3812 -98.9278 PRESSAVG: 653200 45.6741 -59.9296 -34.825 -59.9296 -26.6271 0.703267 -34.8251 0.703209 16.4814 GPRESSAVG: 653200 46.6447 -61.546 -33.9456 -62.3074 -27.953 -0.765379 -31.8462 0.134831 17.2535 TIMING: 653200 CPU: 2055.56, 0.00314647/step Wall: 2055.56, 0.00314648/step, 3.79919 hours remaining, 232.144531 MB of memory in use. ENERGY: 653200 3962.4579 20569.2364 14368.1332 257.0473 -203408.8868 2606.7760 0.0000 0.0000 52079.6973 -109565.5388 299.3027 -161645.2361 -109201.4458 299.0388 15.3804 42.6044 761156.2001 11.8428 11.9818 PRESSURE: 653400 -73.3399 -238.877 -145.442 -238.877 -227.37 23.2573 -145.442 23.2577 60.6689 GPRESSURE: 653400 8.87392 -280.32 -168.901 -244.849 -203.511 23.7636 -132.412 71.097 45.6682 PRESSAVG: 653400 -15.2367 -62.8177 12.6115 -62.8177 26.1895 22.5507 12.6115 22.5507 6.01042 GPRESSAVG: 653400 -14.3882 -60.5664 10.9424 -61.3531 25.9053 25.3823 12.581 20.6856 5.78385 TIMING: 653400 CPU: 2056.18, 0.00312745/step Wall: 2056.18, 0.00312745/step, 3.77605 hours remaining, 232.144531 MB of memory in use. ENERGY: 653400 3980.1434 20683.2377 14405.1602 256.3026 -203212.3896 2499.1990 0.0000 0.0000 51744.6391 -109643.7077 297.3772 -161388.3468 -109287.9733 299.3431 -80.0137 -49.6564 761643.8834 5.6544 5.7670 PRESSURE: 653600 80.856 -32.4003 114.089 -32.4008 102.178 -157.88 114.089 -157.881 -240.05 GPRESSURE: 653600 76.7649 -60.5631 165.511 77.5984 146.736 -142.647 -44.0463 -185.872 -210.608 PRESSAVG: 653600 15.8995 -25.7688 -12.898 -25.7689 8.08216 16.9741 -12.8981 16.9741 15.429 GPRESSAVG: 653600 15.3424 -26.8636 -10.9641 -25.67 7.96905 15.7132 -14.1589 18.8702 15.5459 TIMING: 653600 CPU: 2056.81, 0.00312848/step Wall: 2056.81, 0.00312848/step, 3.77711 hours remaining, 232.144531 MB of memory in use. ENERGY: 653600 4020.8255 20363.5757 14391.5889 235.6972 -203468.6374 2450.9695 0.0000 0.0000 52232.5604 -109773.4202 300.1812 -162005.9807 -109404.0760 299.3709 -19.0052 4.2978 761701.5599 13.1369 12.9525 PRESSURE: 653800 -112.415 -99.0908 -292.087 -99.091 43.1381 -61.4172 -292.087 -61.4161 347.832 GPRESSURE: 653800 4.48023 -98.8473 -127.146 -145.957 -2.68855 -102.404 -367.491 6.48897 355.424 PRESSAVG: 653800 5.9603 5.15242 -3.53424 5.15239 4.27029 32.5361 -3.53423 32.536 4.00035 GPRESSAVG: 653800 5.04406 7.97652 -4.38752 1.3026 5.05527 31.5929 -0.836548 33.4484 4.53476 TIMING: 653800 CPU: 2057.44, 0.00314539/step Wall: 2057.44, 0.00314539/step, 3.79736 hours remaining, 232.144531 MB of memory in use. ENERGY: 653800 3924.3820 20581.0646 14356.6797 234.8165 -203572.7958 2845.3162 0.0000 0.0000 51925.4468 -109705.0901 298.4163 -161630.5369 -109348.1947 299.0758 92.8515 119.0718 762869.1593 4.7436 4.8780 PRESSURE: 654000 -191.3 -82.9259 60.1233 -82.9253 -38.328 -116.255 60.1235 -116.255 -143.194 GPRESSURE: 654000 -96.8425 -87.4068 -18.2202 -10.5973 -58.4573 -82.7584 47.2701 -112.226 -139.37 PRESSAVG: 654000 17.122 -23.8955 -35.6637 -23.8955 -44.4005 -35.2058 -35.6637 -35.2059 -10.8853 GPRESSAVG: 654000 17.6522 -26.534 -36.12 -19.2829 -44.4659 -35.9989 -37.7084 -35.5205 -11.3684 TIMING: 654000 CPU: 2058.06, 0.00313802/step Wall: 2058.06, 0.00313802/step, 3.78828 hours remaining, 232.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 654000 3990.2157 20482.8829 14473.6757 241.5517 -203136.7165 2331.8646 0.0000 0.0000 51949.9008 -109666.6250 298.5568 -161616.5258 -109299.2760 299.1623 -124.2743 -98.2234 762955.2127 -12.7213 -12.7274 PRESSURE: 654200 -409.115 29.9185 -26.5058 29.9196 -450.664 -8.15551 -26.5061 -8.15592 -365.614 GPRESSURE: 654200 -401.234 -6.59545 2.31699 23.3516 -396.548 49.3589 -22.1552 54.8062 -334.983 PRESSAVG: 654200 15.9984 -6.48139 -6.82776 -6.4814 -19.489 5.77878 -6.82784 5.77876 2.28645 GPRESSAVG: 654200 15.8622 -5.63452 -5.98203 -8.74869 -19.7037 7.69657 -7.54491 4.44994 2.79842 TIMING: 654200 CPU: 2058.69, 0.00313464/step Wall: 2058.69, 0.00313464/step, 3.78403 hours remaining, 232.144531 MB of memory in use. ENERGY: 654200 3991.5755 20511.4211 14425.0769 249.4206 -203260.1452 2308.4371 0.0000 0.0000 51823.7963 -109950.4177 297.8321 -161774.2140 -109582.0767 298.4121 -408.4643 -377.5886 760791.8605 -0.4014 -0.3477 PRESSURE: 654400 68.5321 97.4125 -170.35 97.4126 -354.986 88.9189 -170.351 88.9189 -549.351 GPRESSURE: 654400 47.3435 122.736 -204.766 104.785 -244.821 135.207 -169.942 -111.529 -536.329 PRESSAVG: 654400 26.3734 25.6815 -9.24979 25.6815 -16.7552 -3.36908 -9.24974 -3.36902 -20.1757 GPRESSAVG: 654400 26.3519 25.7595 -10.573 26.5505 -17.5068 -4.25798 -5.70877 -4.67615 -19.4268 TIMING: 654400 CPU: 2059.32, 0.00312869/step Wall: 2059.32, 0.00312869/step, 3.77668 hours remaining, 232.144531 MB of memory in use. ENERGY: 654400 4088.9864 20362.3542 14319.4562 244.9112 -203150.9044 2377.0427 0.0000 0.0000 51917.1247 -109841.0290 298.3684 -161758.1537 -109484.4422 298.6372 -278.6018 -244.6023 760938.9758 -3.5192 -3.5272 PRESSURE: 654600 231.792 -172.945 282.989 -172.944 -275.979 1.92722 282.988 1.92669 99.8544 GPRESSURE: 654600 188.866 -65.3582 309.903 -144.745 -175.933 7.92896 129.075 14.9949 132.08 PRESSAVG: 654600 -7.75874 -34.1387 -7.82473 -34.1387 26.6138 27.0312 -7.82472 27.0311 -7.95126 GPRESSAVG: 654600 -8.20524 -33.2059 -7.14143 -34.1131 27.5527 27.6171 -10.339 27.0141 -8.39355 TIMING: 654600 CPU: 2059.95, 0.00315055/step Wall: 2059.95, 0.00315055/step, 3.80289 hours remaining, 232.144531 MB of memory in use. ENERGY: 654600 4001.2836 20309.1119 14433.9686 243.3486 -203538.2537 2633.1608 0.0000 0.0000 51837.2048 -110080.1754 297.9091 -161917.3802 -109711.7500 298.4489 18.5558 48.3376 759677.4589 3.6346 3.6513 PRESSURE: 654800 -71.7762 -13.9713 38.4309 -13.9716 171.238 74.6379 38.431 74.6377 150.324 GPRESSURE: 654800 -48.9402 -102.701 125.9 -74.6957 205.795 -1.61559 -54.6985 58.845 163.958 PRESSAVG: 654800 -4.47627 -38.6664 15.8803 -38.6664 -18.7338 38.0395 15.8803 38.0395 -12.0384 GPRESSAVG: 654800 -4.25869 -38.2604 15.6932 -38.5437 -19.2812 36.4571 15.6003 38.2985 -11.9216 TIMING: 654800 CPU: 2060.58, 0.00314794/step Wall: 2060.58, 0.00314794/step, 3.79956 hours remaining, 232.144531 MB of memory in use. ENERGY: 654800 3921.4032 20419.3463 14397.9897 255.5095 -203817.7008 2784.9585 0.0000 0.0000 51930.9125 -110107.5811 298.4477 -162038.4937 -109748.8671 298.1417 83.2618 106.9377 759656.4338 -11.7495 -11.8205 PRESSURE: 655000 -30.276 -140.345 221.682 -140.345 38.3792 40.8136 221.682 40.8141 -38.3324 GPRESSURE: 655000 24.8372 -220.672 188.251 -83.372 -2.37945 75.0466 206.921 145.644 44.289 PRESSAVG: 655000 29.6351 -75.0541 -0.726232 -75.0541 -12.3278 72.5578 -0.726253 72.5578 -11.5242 GPRESSAVG: 655000 30.6026 -74.2592 -2.13999 -80.063 -12.5715 73.8829 0.222363 73.4245 -12.1263 TIMING: 655000 CPU: 2061.2, 0.00311184/step Wall: 2061.2, 0.00311184/step, 3.75582 hours remaining, 232.144531 MB of memory in use. ENERGY: 655000 3918.6796 20544.5288 14411.3304 254.4482 -203393.5590 2444.4225 0.0000 0.0000 52060.9019 -109759.2477 299.1947 -161820.1497 -109398.2693 298.7540 -10.0764 22.2489 759976.4276 1.9277 1.9682 PRESSURE: 655200 348.596 19.3549 174.006 19.3535 -69.4307 51.013 174.006 51.0138 -457.001 GPRESSURE: 655200 337.892 -109.987 147.053 -84.9384 -18.9776 -18.8671 140.487 30.1323 -407.305 PRESSAVG: 655200 86.5703 -33.9441 -29.4208 -33.9442 -99.7889 11.1296 -29.4208 11.1297 4.15107 GPRESSAVG: 655200 86.2344 -37.4353 -28.8863 -29.3458 -99.7637 9.3213 -27.3693 11.2206 4.16201 TIMING: 655200 CPU: 2061.83, 0.00313599/step Wall: 2061.83, 0.00313599/step, 3.78479 hours remaining, 232.144531 MB of memory in use. ENERGY: 655200 4087.8663 20491.4125 14432.1052 233.3425 -203680.4171 2872.4131 0.0000 0.0000 52072.9212 -109490.3562 299.2638 -161563.2774 -109119.3558 299.7935 -59.2783 -29.4634 761106.6508 -3.0225 -3.1224 PRESSURE: 655400 29.4094 -81.8043 85.7785 -81.8052 -126.286 15.3908 85.7781 15.3903 185.761 GPRESSURE: 655400 121.221 -86.9088 46.2309 -56.4329 -149.865 -26.1282 151.35 41.6571 195.922 PRESSAVG: 655400 65.6529 -21.8014 38.667 -21.8014 -55.8944 -11.0716 38.667 -11.0716 -8.61507 GPRESSAVG: 655400 64.659 -21.4412 39.0047 -21.1086 -55.2679 -9.09393 35.9532 -11.7739 -8.44987 TIMING: 655400 CPU: 2062.45, 0.00312949/step Wall: 2062.45, 0.00312949/step, 3.77677 hours remaining, 232.144531 MB of memory in use. ENERGY: 655400 3957.0707 20564.6702 14382.5296 241.7719 -203644.8558 2947.4807 0.0000 0.0000 51905.4418 -109645.8910 298.3013 -161551.3328 -109282.4053 299.5853 29.6280 55.7594 762390.3756 0.3811 0.3137 PRESSURE: 655600 138.364 -27.9968 -44.7056 -27.9973 468.979 11.3866 -44.7051 11.3875 -418.023 GPRESSURE: 655600 150.032 -111.331 -0.765414 3.54307 490.706 -44.5928 -15.3654 -2.89111 -388.494 PRESSAVG: 655600 -40.1145 -31.0658 31.0418 -31.0658 28.8317 -0.22643 31.0418 -0.226498 11.2873 GPRESSAVG: 655600 -40.7318 -30.2321 32.7632 -30.9854 29.64 -1.18226 31.1511 2.26997 10.7076 TIMING: 655600 CPU: 2063.08, 0.00312652/step Wall: 2063.08, 0.00312652/step, 3.77302 hours remaining, 232.144531 MB of memory in use. ENERGY: 655600 4014.8107 20625.1952 14346.7577 249.6741 -203958.3074 2916.5269 0.0000 0.0000 52083.0766 -109722.2663 299.3222 -161805.3429 -109367.5379 299.9382 63.1067 84.0814 760327.5009 0.0015 -0.1281 PRESSURE: 655800 -130.973 -188.71 -323.737 -188.71 -543.05 -148.329 -323.736 -148.329 -82.3959 GPRESSURE: 655800 -152.424 -78.5785 -348.402 -178.121 -352.559 -154.061 -238.054 -32.4244 -184.204 PRESSAVG: 655800 18.1668 -115.309 -20.0531 -115.309 -9.69117 13.447 -20.0531 13.447 -8.97446 GPRESSAVG: 655800 19.593 -114.735 -20.7729 -115.79 -11.4229 12.8084 -20.4821 14.3555 -9.03843 TIMING: 655800 CPU: 2063.7, 0.0031195/step Wall: 2063.7, 0.0031195/step, 3.76437 hours remaining, 232.144531 MB of memory in use. ENERGY: 655800 4008.1765 20512.1016 14420.5238 238.0516 -203271.0128 2354.2311 0.0000 0.0000 52059.6204 -109678.3077 299.1874 -161737.9281 -109313.2093 299.0449 -252.1396 -229.7290 760250.2069 -0.1663 -0.2895 PRESSURE: 656000 -241.446 -61.5888 178.509 -61.5887 -227.689 98.7939 178.508 98.7934 -595.022 GPRESSURE: 656000 -146.433 -93.9147 153.196 -93.3184 -240.886 161.552 243.945 23.3838 -587.028 PRESSAVG: 656000 32.6566 -50.5518 4.0807 -50.5518 -4.05862 11.8895 4.0806 11.8895 -6.23649 GPRESSAVG: 656000 31.86 -50.6528 3.18661 -50.0552 -3.66719 13.622 3.12491 9.67319 -5.73735 TIMING: 656000 CPU: 2064.32, 0.00309532/step Wall: 2064.32, 0.00309532/step, 3.73502 hours remaining, 232.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 656000 3987.9949 20454.9200 14442.2263 243.1300 -203420.8431 2436.8216 0.0000 0.0000 52100.3900 -109755.3603 299.4217 -161855.7503 -109392.6744 299.1388 -354.7191 -324.7821 760402.6571 7.4538 7.4851 PRESSURE: 656200 -161.368 37.1451 75.1445 37.1457 -128.224 158.984 75.1435 158.985 84.0228 GPRESSURE: 656200 -184.058 -17.5549 62.4959 48.123 -70.2276 57.283 110.871 93.5371 122.052 PRESSAVG: 656200 -16.0739 -44.7971 -0.539592 -44.7971 37.7612 30.0325 -0.539607 30.0325 1.79764 GPRESSAVG: 656200 -15.3686 -44.2688 0.617999 -47.2358 37.6204 27.6662 0.114533 29.1978 1.8362 TIMING: 656200 CPU: 2064.94, 0.0031249/step Wall: 2064.94, 0.0031249/step, 3.77053 hours remaining, 232.144531 MB of memory in use. ENERGY: 656200 4019.1537 20632.2804 14515.8848 250.7283 -203653.3361 2586.2475 0.0000 0.0000 51909.1251 -109739.9161 298.3225 -161649.0413 -109383.8637 298.6925 -68.5229 -44.0779 761840.6803 7.8283 8.0293 LDB: ============= START OF LOAD BALANCING ============== 2077.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2077.34 LDB: =============== DONE WITH MIGRATION ================ 2077.35 LDB: ============= START OF LOAD BALANCING ============== 2077.66 LDB: Largest compute 7056 load 0.033006 is 16.9% of average load 0.195822 LDB: Average compute 0.004358 is 2.2% of average load 0.195822 LDB: TIME 2077.66 LOAD: AVG 0.195822 MAX 0.215218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.656 MB LDB: TIME 2077.66 LOAD: AVG 0.195822 MAX 0.215218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.863 MB LDB: TIME 2077.66 LOAD: AVG 0.195822 MAX 0.215218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.863 MB LDB: ============== END OF LOAD BALANCING =============== 2077.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2077.67 PRESSURE: 656400 -318.663 42.5399 -78.9396 42.54 -511.855 -39.6569 -78.94 -39.6564 -297.153 GPRESSURE: 656400 -284.915 147.441 -98.1605 -63.103 -449.743 -81.6419 -2.38461 -39.3852 -311.111 PRESSAVG: 656400 41.1641 -27.6254 61.2038 -27.6254 -29.9826 -5.90766 61.2038 -5.90762 11.3544 GPRESSAVG: 656400 41.0469 -26.0827 59.1898 -25.8881 -28.8931 -4.91839 62.4332 -5.82016 10.9438 TIMING: 656400 CPU: 2065.59, 0.00321815/step Wall: 2065.59, 0.00321815/step, 3.88288 hours remaining, 233.117188 MB of memory in use. ENERGY: 656400 3985.4106 20597.5585 14370.6219 249.6023 -203399.5413 2447.6240 0.0000 0.0000 52063.0564 -109685.6676 299.2071 -161748.7240 -109323.4599 298.9723 -375.8903 -348.5897 760268.2220 7.5120 7.6992 PRESSURE: 656600 -121.193 -210.309 125.517 -210.308 -18.6041 -207.015 125.518 -207.016 -73.3878 GPRESSURE: 656600 -95.0862 -217.065 121.915 -295.992 51.1665 -155.083 5.53621 -146.628 -80.361 PRESSAVG: 656600 -11.0066 -15.8882 19.967 -15.8881 11.963 -17.3908 19.967 -17.3908 -9.24864 GPRESSAVG: 656600 -11.089 -17.1131 20.829 -15.4686 11.5757 -17.1252 18.5339 -16.3737 -8.49679 TIMING: 656600 CPU: 2066.22, 0.00314353/step Wall: 2066.22, 0.00314353/step, 3.79267 hours remaining, 233.386719 MB of memory in use. ENERGY: 656600 4001.2817 20271.2713 14430.8565 266.0386 -203462.6250 2491.7542 0.0000 0.0000 52226.3860 -109775.0367 300.1458 -162001.4227 -109419.3417 298.8005 -71.0616 -41.4269 759581.4538 -2.7641 -2.6700 PRESSURE: 656800 49.053 136.139 -65.4693 136.139 170.842 253.524 -65.4705 253.524 -256.404 GPRESSURE: 656800 182.391 170.07 14.4093 308.032 145.093 244.78 -47.2971 338.151 -300.381 PRESSAVG: 656800 -46.3352 -69.1875 72.5243 -69.1876 2.91868 41.0265 72.5243 41.0264 22.6018 GPRESSAVG: 656800 -45.3346 -70.35 74.3115 -70.4762 1.78512 41.4554 72.4826 40.7157 22.7167 TIMING: 656800 CPU: 2066.84, 0.00313713/step Wall: 2066.84, 0.00313713/step, 3.78477 hours remaining, 233.386719 MB of memory in use. ENERGY: 656800 4048.4479 20456.4607 14416.5595 254.7858 -203219.3559 2535.3203 0.0000 0.0000 51941.8349 -109565.9468 298.5104 -161507.7817 -109206.9993 299.2873 -12.1697 9.0345 760217.6205 -6.9383 -6.9443 PRESSURE: 657000 -39.9744 17.6771 -316.578 17.677 -231.364 -45.7102 -316.578 -45.7103 -204.913 GPRESSURE: 657000 -80.0397 67.3922 -339.767 -17.4573 -123.593 -59.6707 -391.239 -47.1594 -188.296 PRESSAVG: 657000 13.232 -30.4242 57.4012 -30.4243 -33.2106 -0.778865 57.4012 -0.778895 9.76809 GPRESSAVG: 657000 12.0039 -28.6247 56.0984 -30.5001 -31.7187 -2.80847 58.8098 -0.807647 9.06368 TIMING: 657000 CPU: 2067.47, 0.00310881/step Wall: 2067.47, 0.00310881/step, 3.75043 hours remaining, 233.386719 MB of memory in use. ENERGY: 657000 4043.0480 20513.5180 14377.1240 239.9025 -203668.5067 2646.5313 0.0000 0.0000 52183.5484 -109664.8344 299.8996 -161848.3828 -109306.2590 299.7269 -158.7505 -130.6431 760002.4750 -3.4035 -3.5504 PRESSURE: 657200 -305.917 -147.827 109.88 -147.827 -134.012 170.678 109.88 170.678 -71.479 GPRESSURE: 657200 -202.835 -95.6617 226.535 -133.741 -102.142 220.605 88.1671 200.71 -124.649 PRESSAVG: 657200 2.05671 3.82954 -8.36959 3.82952 44.5118 59.8924 -8.36955 59.8924 8.01954 GPRESSAVG: 657200 1.97053 3.66847 -7.99742 5.57844 44.1919 60.4967 -7.16386 60.3487 8.14827 TIMING: 657200 CPU: 2068.09, 0.00313227/step Wall: 2068.09, 0.00313227/step, 3.77856 hours remaining, 233.386719 MB of memory in use. ENERGY: 657200 4047.8041 20460.9596 14409.2961 244.4023 -203457.3076 2715.6290 0.0000 0.0000 52009.5739 -109569.6427 298.8997 -161579.2166 -109207.6263 300.0053 -170.4693 -143.2088 760116.7977 18.1960 18.1036 PRESSURE: 657400 -439.211 -56.8547 170.728 -56.854 -162.346 383.755 170.728 383.755 -393.331 GPRESSURE: 657400 -376.103 -105.452 128.321 11.5459 -99.3061 250.248 242.741 275.933 -443.562 PRESSAVG: 657400 -3.48199 20.2835 0.323727 20.2835 6.8769 59.1892 0.323729 59.1892 -7.25579 GPRESSAVG: 657400 -2.57827 20.2475 0.0031096 18.3612 5.91533 59.3324 0.266127 57.6361 -6.87967 TIMING: 657400 CPU: 2068.72, 0.00312462/step Wall: 2068.72, 0.00312462/step, 3.76916 hours remaining, 233.386719 MB of memory in use. ENERGY: 657400 4094.5307 20728.5947 14401.9491 252.1768 -203616.9912 2510.1866 0.0000 0.0000 52138.9579 -109490.5954 299.6433 -161629.5533 -109131.0865 299.3504 -331.6293 -306.3236 761380.3776 -1.2870 -1.1809 PRESSURE: 657600 -119.741 -46.7168 166.399 -46.7165 -399.802 -58.5155 166.399 -58.5159 -17.8144 GPRESSURE: 657600 -45.367 -64.256 133.537 -119.191 -373.368 -162.548 220.263 32.5989 -48.5733 PRESSAVG: 657600 28.8762 -52.849 4.68983 -52.849 -42.7417 34.7403 4.6898 34.7404 6.89399 GPRESSAVG: 657600 29.4949 -53.3138 5.00277 -52.7087 -43.0074 33.3614 3.55234 34.9677 6.40755 TIMING: 657600 CPU: 2069.34, 0.00312734/step Wall: 2069.34, 0.00312734/step, 3.77227 hours remaining, 233.386719 MB of memory in use. ENERGY: 657600 4056.1687 20638.5586 14375.1023 236.5110 -203367.1935 2464.5467 0.0000 0.0000 52198.5310 -109397.7752 299.9857 -161596.3062 -109029.6354 299.7313 -179.1190 -155.7694 760415.8144 -2.3238 -2.3683 PRESSURE: 657800 -361.684 -31.714 -3.10882 -31.7143 -79.1592 -102 -3.10883 -101.999 407.758 GPRESSURE: 657800 -275.279 -95.0564 -64.283 -67.6994 -24.1843 3.52225 48.5545 -78.9132 351.65 PRESSAVG: 657800 -14.9027 -64.6677 28.1557 -64.6677 -38.8194 13.5336 28.1556 13.5336 5.03733 GPRESSAVG: 657800 -15.3416 -63.6538 27.9952 -66.1154 -38.1122 15.3872 27.6209 14.491 4.63062 TIMING: 657800 CPU: 2069.97, 0.00312976/step Wall: 2069.97, 0.00312976/step, 3.77501 hours remaining, 233.386719 MB of memory in use. ENERGY: 657800 4004.3266 20567.6117 14458.9970 228.9323 -203540.8640 2745.3652 0.0000 0.0000 52386.5784 -109149.0529 301.0664 -161535.6313 -108771.2368 300.3010 -11.0283 17.3958 759137.3444 -16.2282 -16.2744 PRESSURE: 658000 156.765 63.1163 -224.817 63.1163 -53.5244 -39.5766 -224.817 -39.5777 -143.041 GPRESSURE: 658000 103.014 6.25951 -270.818 73.0556 30.6014 -77.1856 -182.975 -102.729 -78.3519 PRESSAVG: 658000 12.7209 -72.0073 27.4975 -72.0073 46.2696 37.6038 27.4975 37.6037 4.5391 GPRESSAVG: 658000 11.0251 -73.0939 27.2833 -70.5763 45.3595 37.4245 28.9236 36.8268 6.96972 TIMING: 658000 CPU: 2070.6, 0.00313414/step Wall: 2070.6, 0.00313414/step, 3.78012 hours remaining, 233.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 658000 3971.5626 20630.9921 14390.5714 248.4135 -203291.0590 2511.0150 0.0000 0.0000 52276.3104 -109262.1939 300.4327 -161538.5044 -108893.5841 300.9451 -13.2667 18.4211 760742.8671 21.1766 21.1181 PRESSURE: 658200 -136.614 286.202 -23.7076 286.203 -183.864 212.614 -23.7078 212.614 -299.709 GPRESSURE: 658200 -149.019 413.884 -74.0196 217.319 -112.091 189.67 47.5815 228.56 -268.512 PRESSAVG: 658200 6.71795 -19.6462 -9.12609 -19.6462 -34.3998 -1.89027 -9.12615 -1.89027 -10.015 GPRESSAVG: 658200 8.50952 -20.7936 -9.02697 -19.9321 -34.2811 -2.31107 -12.6095 -0.601069 -11.6012 TIMING: 658200 CPU: 2071.23, 0.00314508/step Wall: 2071.23, 0.00314508/step, 3.79315 hours remaining, 233.386719 MB of memory in use. ENERGY: 658200 4038.9828 20503.1886 14399.2555 239.9485 -202939.6218 2096.8772 0.0000 0.0000 52424.8570 -109236.5122 301.2864 -161661.3692 -108868.5308 300.3322 -206.7290 -176.5404 759387.0802 -12.5656 -12.4576 PRESSURE: 658400 -133.312 -146.214 -16.8062 -146.214 35.6495 -71.1599 -16.8063 -71.1598 201.831 GPRESSURE: 658400 -0.875542 -68.9782 -10.4021 -146.44 24.4733 -103.352 -4.68296 9.64348 174.76 PRESSAVG: 658400 20.7311 -26.4065 40.4086 -26.4064 -14.1564 32.5441 40.4086 32.5441 -11.83 GPRESSAVG: 658400 19.1552 -26.5814 39.6322 -24.3597 -13.6198 32.1321 42.0775 34.411 -10.7896 TIMING: 658400 CPU: 2071.86, 0.00315084/step Wall: 2071.86, 0.00315084/step, 3.79991 hours remaining, 233.386719 MB of memory in use. ENERGY: 658400 3997.3367 20612.5873 14373.4819 247.5555 -203473.0311 2541.3139 0.0000 0.0000 52595.4499 -109105.3060 302.2668 -161700.7558 -108732.1196 301.1758 34.7227 66.1192 760905.2962 -1.7518 -1.7514 PRESSURE: 658600 90.5563 47.2782 102.453 47.2775 -59.7475 -20.4369 102.453 -20.4367 -207.781 GPRESSURE: 658600 81.7156 12.4028 94.2385 26.4347 2.49593 -26.096 48.88 7.68756 -168.075 PRESSAVG: 658600 45.2646 -75.0759 12.9817 -75.0759 8.50518 -6.07428 12.9817 -6.0743 -3.46725 GPRESSAVG: 658600 44.7394 -73.6583 13.4936 -78.3948 9.43675 -5.16903 13.5862 -7.9631 -3.85379 TIMING: 658600 CPU: 2072.48, 0.00313783/step Wall: 2072.48, 0.00313783/step, 3.78405 hours remaining, 233.386719 MB of memory in use. ENERGY: 658600 4026.4410 20701.2206 14358.7415 253.0551 -203386.6977 2668.1343 0.0000 0.0000 52151.9468 -109227.1583 299.7180 -161379.1051 -108866.6613 300.5770 -58.9908 -27.9543 759663.8324 16.7675 16.7741 PRESSURE: 658800 84.5558 6.62745 126.523 6.62765 34.3765 -234.307 126.524 -234.308 -261.429 GPRESSURE: 658800 156.09 -31.4775 119.017 114.677 -11.8345 -175.657 253.764 -139.026 -213.184 PRESSAVG: 658800 -29.1633 -55.0514 8.07802 -55.0514 21.2156 -45.9707 8.07797 -45.9706 1.31527 GPRESSAVG: 658800 -27.8082 -54.9938 7.05914 -53.1091 19.1192 -45.7376 9.21823 -49.0396 1.74568 TIMING: 658800 CPU: 2073.11, 0.00312995/step Wall: 2073.11, 0.00312995/step, 3.77438 hours remaining, 233.386719 MB of memory in use. ENERGY: 658800 3930.0496 20619.5982 14358.2746 261.6263 -202982.1541 2373.0780 0.0000 0.0000 51929.2635 -109510.2638 298.4382 -161439.5273 -109144.3341 300.2201 -47.4990 -22.9762 761418.3608 -2.2108 -2.3144 PRESSURE: 659000 -18.3428 97.6584 -40.7348 97.6593 348.315 3.05767 -40.7358 3.05667 368.467 GPRESSURE: 659000 23.0747 108.615 -52.6722 109.384 407.809 -11.5579 -38.923 -67.0969 347.781 PRESSAVG: 659000 -20.3175 1.74697 2.28866 1.74702 14.5438 -1.05333 2.28863 -1.05333 6.94938 GPRESSAVG: 659000 -20.7011 2.8876 4.26201 1.30703 17.2121 -0.471388 -0.55016 1.91283 5.22984 TIMING: 659000 CPU: 2073.74, 0.00313851/step Wall: 2073.74, 0.00313851/step, 3.78452 hours remaining, 233.386719 MB of memory in use. ENERGY: 659000 3921.6241 20532.1146 14401.6335 246.2388 -203612.1362 2833.0129 0.0000 0.0000 51948.8861 -109728.6262 298.5510 -161677.5123 -109376.9529 299.0963 232.8131 259.5548 761055.8220 0.3919 0.5803 PRESSURE: 659200 -73.3031 -148.229 54.2909 -148.228 -225.3 49.1187 54.2911 49.1186 103.185 GPRESSURE: 659200 -110.788 -74.6758 9.6898 -3.29048 -88.5021 19.0553 11.7377 37.5254 109.446 PRESSAVG: 659200 -39.9373 -86.8481 -26.8504 -86.8481 57.3451 3.4227 -26.8504 3.4227 -5.42202 GPRESSAVG: 659200 -40.5252 -87.9022 -26.9978 -87.174 57.354 3.43309 -28.0536 2.16377 -5.33313 TIMING: 659200 CPU: 2074.37, 0.00315304/step Wall: 2074.37, 0.00315304/step, 3.80186 hours remaining, 233.386719 MB of memory in use. ENERGY: 659200 3956.1572 20449.0485 14468.0320 250.6069 -203261.1693 2532.0813 0.0000 0.0000 52034.0812 -109571.1622 299.0406 -161605.2433 -109219.2016 299.0040 -65.1393 -29.9482 761120.1730 3.9952 3.8319 PRESSURE: 659400 -105.677 56.6925 187.18 56.6926 147.754 -82.407 187.181 -82.4058 -191.518 GPRESSURE: 659400 -40.7397 32.9899 191.63 16.0873 123.897 -37.6373 223.498 -176.944 -135.316 PRESSAVG: 659400 -57.7746 -44.1004 21.7871 -44.1004 11.1998 -23.4622 21.7872 -23.4623 4.74028 GPRESSAVG: 659400 -57.5495 -43.066 21.0929 -44.5656 10.8287 -23.7061 24.7607 -21.4984 4.65464 TIMING: 659400 CPU: 2074.99, 0.00312377/step Wall: 2074.99, 0.00312377/step, 3.7664 hours remaining, 233.386719 MB of memory in use. ENERGY: 659400 3948.3586 20436.2152 14447.2936 234.2524 -203534.7758 2624.3406 0.0000 0.0000 52206.3493 -109637.9661 300.0306 -161844.3154 -109265.3007 299.3058 -49.8137 -17.3863 761819.0278 -13.9448 -14.0220 PRESSURE: 659600 -82.449 80.3979 49.2648 80.3972 -34.0505 97.8326 49.2651 97.8322 -57.9529 GPRESSURE: 659600 -83.8551 25.3283 -40.6346 1.63253 31.1774 202.491 77.8101 78.5978 -47.8918 PRESSAVG: 659600 7.52119 -21.0562 -25.4496 -21.0562 52.5691 -2.76419 -25.4497 -2.76421 20.2946 GPRESSAVG: 659600 7.37219 -23.4143 -23.8112 -20.1964 52.6496 -2.78997 -26.2275 -4.92296 20.945 TIMING: 659600 CPU: 2075.62, 0.00312913/step Wall: 2075.62, 0.00312913/step, 3.77269 hours remaining, 233.386719 MB of memory in use. ENERGY: 659600 4007.0677 20500.4844 14465.6474 254.0311 -203757.7925 2626.7577 0.0000 0.0000 52327.4608 -109576.3434 300.7266 -161903.8041 -109215.9358 299.2763 -58.1508 -33.5232 759585.5519 26.7950 26.9889 PRESSURE: 659800 26.1207 -198.046 -51.0558 -198.047 -112.182 -95.2753 -51.0554 -95.2757 185.8 GPRESSURE: 659800 126.019 -128.61 -132.101 -244.077 -75.886 -112.936 -41.1547 -147.142 146.181 PRESSAVG: 659800 -15.9075 -30.4793 -52.4458 -30.4793 -9.39627 34.5686 -52.4457 34.5687 -3.38269 GPRESSAVG: 659800 -15.2717 -27.7411 -52.5582 -30.4671 -10.5763 34.509 -55.2038 34.4668 -3.24156 TIMING: 659800 CPU: 2076.24, 0.00312854/step Wall: 2076.24, 0.00312854/step, 3.77181 hours remaining, 233.386719 MB of memory in use. ENERGY: 659800 4026.7136 20444.7248 14489.4029 234.5044 -203716.4817 2764.4664 0.0000 0.0000 52322.7962 -109433.8734 300.6998 -161756.6696 -109064.0492 299.3705 33.2463 65.4380 761087.9391 -9.5622 -9.6965 PRESSURE: 660000 91.2107 -78.1321 -60.1601 -78.132 -142 175.065 -60.1598 175.065 159.649 GPRESSURE: 660000 129.275 -35.1138 -30.734 -42.9436 -111.487 167.507 -54.0494 198.091 201.741 PRESSAVG: 660000 -23.858 -67.3579 -5.30659 -67.3578 -3.59692 21.8891 -5.30652 21.8891 -0.558571 GPRESSAVG: 660000 -23.5531 -67.6951 -5.54195 -66.9538 -3.59149 21.5706 -2.12889 22.3918 -0.849094 TIMING: 660000 CPU: 2076.87, 0.00312128/step Wall: 2076.87, 0.00312128/step, 3.76287 hours remaining, 233.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 660000 4056.3241 20376.1626 14460.2378 258.3547 -203111.4327 2494.8383 0.0000 0.0000 51969.6722 -109495.8430 298.6704 -161465.5152 -109131.7822 299.5224 36.2865 73.1763 761860.7015 -9.3378 -9.3312 PRESSURE: 660200 -273.935 -70.4074 184.377 -70.4067 75.2229 108.183 184.377 108.183 149.814 GPRESSURE: 660200 -265.341 -77.005 69.1748 -162.735 113.254 112.152 223.263 158.44 157.992 PRESSAVG: 660200 22.9149 -21.5527 43.1633 -21.5527 -29.6959 21.5438 43.1633 21.5437 17.8067 GPRESSAVG: 660200 21.5995 -22.2879 42.9661 -23.4063 -28.746 21.1189 43.8934 21.84 18.4659 TIMING: 660200 CPU: 2077.49, 0.00313451/step Wall: 2077.49, 0.00313451/step, 3.77865 hours remaining, 233.386719 MB of memory in use. ENERGY: 660200 4061.1152 20483.7696 14432.5157 244.1100 -203019.6743 2286.2870 0.0000 0.0000 52089.6807 -109422.1962 299.3601 -161511.8769 -109067.7394 299.3768 -16.2995 1.9685 760414.1844 3.6752 3.7731 LDB: ============= START OF LOAD BALANCING ============== 2089.89 LDB: ============== END OF LOAD BALANCING =============== 2089.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2089.89 LDB: ============= START OF LOAD BALANCING ============== 2090.21 LDB: Largest compute 7056 load 0.032732 is 16.7% of average load 0.195848 LDB: Average compute 0.004375 is 2.2% of average load 0.195848 LDB: TIME 2090.21 LOAD: AVG 0.195848 MAX 0.214167 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 2090.21 LOAD: AVG 0.195848 MAX 0.214167 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: TIME 2090.21 LOAD: AVG 0.195848 MAX 0.214167 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: ============== END OF LOAD BALANCING =============== 2090.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2090.22 PRESSURE: 660400 93.1037 5.2435 148.224 5.24329 129.12 -53.2972 148.225 -53.2981 479.286 GPRESSURE: 660400 111.905 16.6421 128.137 -63.2492 214.338 -54.6501 60.353 -101.439 466.485 PRESSAVG: 660400 -28.0516 -67.9791 46.7467 -67.9791 6.51404 48.1422 46.7467 48.1422 14.4011 GPRESSAVG: 660400 -27.4771 -69.8783 46.355 -68.0149 6.42637 49.6103 45.8367 47.3772 14.4064 TIMING: 660400 CPU: 2078.14, 0.00321101/step Wall: 2078.14, 0.00321101/step, 3.8707 hours remaining, 233.558594 MB of memory in use. ENERGY: 660400 4060.8343 20514.5667 14428.0072 239.7875 -203172.4500 2812.2384 0.0000 0.0000 51918.8791 -109198.1369 298.3785 -161117.0160 -108842.6073 299.8313 233.8367 264.2427 761591.2177 -2.3788 -2.2148 PRESSURE: 660600 -118.982 44.1605 -45.3496 44.16 -201.706 10.1435 -45.3491 10.1435 -257.064 GPRESSURE: 660600 -137.317 13.489 9.13722 54.8511 -179.817 21.4722 -72.1958 70.8855 -184.954 PRESSAVG: 660600 9.33509 -60.0165 34.9425 -60.0166 -1.67776 30.5852 34.9425 30.5853 -34.7556 GPRESSAVG: 660600 8.73855 -57.3013 36.5816 -58.3705 -0.958545 29.4302 35.1989 32.9406 -35.0828 TIMING: 660600 CPU: 2078.76, 0.0031211/step Wall: 2078.76, 0.0031211/step, 3.76213 hours remaining, 233.628906 MB of memory in use. ENERGY: 660600 3979.7330 20541.4098 14491.6825 248.0658 -202923.8089 2215.7905 0.0000 0.0000 52156.2294 -109290.8979 299.7426 -161447.1272 -108930.5657 299.9828 -192.5841 -167.3630 762299.7360 -9.0328 -9.1009 PRESSURE: 660800 -233.977 25.5879 -11.5392 25.5882 -77.2263 -152.386 -11.5387 -152.387 -328.582 GPRESSURE: 660800 -213.477 10.4191 33.9006 -34.7969 3.34669 -85.9804 -76.3086 -43.7325 -356.25 PRESSAVG: 660800 -9.79359 -40.4766 6.46629 -40.4765 12.0349 -1.65212 6.4662 -1.65208 9.45657 GPRESSAVG: 660800 -9.34846 -40.3383 5.15436 -41.8012 11.9648 -1.90602 5.5779 -2.39645 8.92122 TIMING: 660800 CPU: 2079.39, 0.00312335/step Wall: 2079.39, 0.00312335/step, 3.76468 hours remaining, 233.832031 MB of memory in use. ENERGY: 660800 3914.1356 20549.2199 14448.4419 240.6922 -203141.3549 2286.3056 0.0000 0.0000 52345.7668 -109356.7929 300.8318 -161702.5597 -108986.7217 299.5324 -213.2620 -188.7933 761467.6527 3.8993 3.8459 PRESSURE: 661000 107.739 -10.9685 59.1608 -10.9689 -367.913 38.3524 59.1603 38.3526 -16.3689 GPRESSURE: 661000 84.4622 48.8427 77.4963 62.1771 -277.565 29.8439 94.1966 -83.8406 1.75807 PRESSAVG: 661000 31.028 -40.8279 -21.4909 -40.8279 -26.9735 47.0815 -21.4909 47.0816 15.8821 GPRESSAVG: 661000 31.3038 -40.2224 -20.0995 -39.9179 -27.3505 47.1051 -21.477 45.6142 16.365 TIMING: 661000 CPU: 2080.01, 0.00314584/step Wall: 2080.01, 0.00314584/step, 3.79161 hours remaining, 233.832031 MB of memory in use. ENERGY: 661000 3961.8705 20401.5983 14374.3386 251.9571 -203202.5726 2542.2072 0.0000 0.0000 52175.4488 -109495.1519 299.8530 -161670.6007 -109116.0221 299.3832 -92.1808 -63.7814 762141.7773 6.6455 6.7728 PRESSURE: 661200 137.8 -10.6301 103.44 -10.6304 -66.4573 -108.849 103.44 -108.848 240.126 GPRESSURE: 661200 170.414 -114.398 26.3222 -41.6566 55.0219 -99.095 81.7645 9.1361 179.311 PRESSAVG: 661200 27.1707 -54.9033 31.3727 -54.9033 -20.5302 58.0138 31.3727 58.0139 3.4102 GPRESSAVG: 661200 27.444 -56.4071 28.8733 -54.7747 -21.8773 59.4302 32.5174 56.3735 4.38538 TIMING: 661200 CPU: 2080.65, 0.00316148/step Wall: 2080.65, 0.00316148/step, 3.81029 hours remaining, 233.832031 MB of memory in use. ENERGY: 661200 3977.0001 20638.3536 14426.0048 240.3603 -203738.8709 2862.4817 0.0000 0.0000 52118.6274 -109476.0430 299.5265 -161594.6704 -109111.6564 299.7272 103.8229 134.9156 759703.1135 3.3502 3.3173 PRESSURE: 661400 -111.023 50.7538 119.585 50.7546 184.456 -59.8575 119.585 -59.8573 -370.627 GPRESSURE: 661400 -141.129 53.2538 97.0927 -61.603 208.518 26.3731 125.79 -189.385 -287.06 PRESSAVG: 661400 -46.5719 -35.586 16.8638 -35.5861 49.5889 -14.8027 16.8638 -14.8028 -8.12381 GPRESSAVG: 661400 -45.2747 -35.7958 17.8711 -36.3784 50.8757 -16.8365 17.5049 -14.1707 -9.82331 TIMING: 661400 CPU: 2081.28, 0.00315542/step Wall: 2081.28, 0.00315542/step, 3.80281 hours remaining, 233.832031 MB of memory in use. ENERGY: 661400 3976.7908 20413.2599 14414.4858 244.1139 -203177.8592 2403.8311 0.0000 0.0000 52088.4146 -109636.9629 299.3528 -161725.3775 -109281.1984 299.5100 -99.0649 -73.2234 760170.3032 -1.7023 -1.4074 PRESSURE: 661600 -235.693 -213.006 -50.8256 -213.007 88.8376 19.9516 -50.8257 19.9515 -144.358 GPRESSURE: 661600 -200.415 -242.397 -110.542 -288.458 150.808 -33.6221 -53.1782 154.459 -154.783 PRESSAVG: 661600 24.3555 -58.8934 2.39217 -58.8933 -14.4965 -8.97961 2.39221 -8.97968 -5.04182 GPRESSAVG: 661600 23.4472 -58.8916 1.74077 -59.7389 -14.429 -6.85246 3.95323 -8.59576 -4.6417 TIMING: 661600 CPU: 2081.91, 0.0031398/step Wall: 2081.91, 0.0031398/step, 3.78381 hours remaining, 233.832031 MB of memory in use. ENERGY: 661600 4034.3772 20448.2377 14409.7386 272.5685 -202884.9288 2275.5795 0.0000 0.0000 51886.4294 -109557.9980 298.1920 -161444.4274 -109191.4453 298.9717 -97.0711 -68.1297 762008.5149 1.6057 1.4588 PRESSURE: 661800 -357.844 69.5459 57.5004 69.5448 -175.825 -76.2284 57.5006 -76.229 -196.81 GPRESSURE: 661800 -340.731 87.8891 101.462 237.663 -167.028 -52.9953 43.639 5.94147 -130.625 PRESSAVG: 661800 -1.72083 -42.703 64.7377 -42.703 53.6158 -57.182 64.7377 -57.182 4.7428 GPRESSAVG: 661800 -1.40078 -42.3462 64.2826 -42.212 52.5624 -58.9063 62.7892 -56.2242 5.71344 TIMING: 661800 CPU: 2082.54, 0.00314456/step Wall: 2082.54, 0.00314456/step, 3.78937 hours remaining, 233.832031 MB of memory in use. ENERGY: 661800 4014.8146 20515.7699 14538.0123 253.0583 -203405.1609 2486.6881 0.0000 0.0000 52172.9955 -109423.8222 299.8389 -161596.8177 -109056.6542 299.3357 -243.4932 -212.7948 762473.8666 18.8792 18.9583 PRESSURE: 662000 -151.435 -157.972 30.5633 -157.972 216.368 -0.478262 30.5633 -0.477485 212.946 GPRESSURE: 662000 -86.1518 -106.604 13.273 -226.723 204.11 7.85853 30.9269 -37.639 237.01 PRESSAVG: 662000 11.6263 -76.1554 50.164 -76.1554 -39.1479 20.8095 50.164 20.8094 -9.66363 GPRESSAVG: 662000 12.0368 -74.5443 51.9187 -77.9489 -38.9475 20.1912 51.0532 20.2836 -10.6351 TIMING: 662000 CPU: 2083.16, 0.00314077/step Wall: 2083.16, 0.00314077/step, 3.78463 hours remaining, 233.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 662000 4000.0324 20392.2530 14484.9096 248.7432 -203395.6688 2605.3642 0.0000 0.0000 52231.6940 -109432.6724 300.1763 -161664.3664 -109073.0439 299.3186 92.6264 118.3226 761025.6899 -12.3951 -12.5153 PRESSURE: 662200 412.462 48.2338 32.4957 48.2351 92.8812 -31.6645 32.4948 -31.6636 -158.852 GPRESSURE: 662200 420.749 114.768 26.9148 16.5526 212.743 -35.1 -112.136 -26.9345 -171.743 PRESSAVG: 662200 2.93852 2.8409 27.6396 2.8409 3.36688 4.71302 27.6397 4.71298 14.1599 GPRESSAVG: 662200 2.13363 0.89859 26.0612 5.01329 4.18304 6.8637 25.739 5.13745 14.2272 TIMING: 662200 CPU: 2083.79, 0.00314335/step Wall: 2083.79, 0.00314335/step, 3.78756 hours remaining, 233.832031 MB of memory in use. ENERGY: 662200 3929.3835 20470.7905 14450.8377 251.5551 -203557.3862 2887.2358 0.0000 0.0000 52211.7771 -109355.8065 300.0618 -161567.5836 -108995.6793 299.3198 115.4970 153.9165 760232.0943 6.8218 6.8480 PRESSURE: 662400 -277.533 78.2982 24.9278 78.2981 274.93 -38.9627 24.9274 -38.9622 83.5572 GPRESSURE: 662400 -211.301 29.5418 127.782 44.7589 224.39 -39.6988 77.8195 -85.3808 149.893 PRESSAVG: 662400 -10.0309 -5.60113 35.5503 -5.60109 24.5141 13.0137 35.5502 13.0137 1.78435 GPRESSAVG: 662400 -9.42276 -3.36185 35.6459 -8.81416 22.8904 12.105 37.6485 14.6506 2.478 TIMING: 662400 CPU: 2084.42, 0.0031289/step Wall: 2084.42, 0.00312889/step, 3.76997 hours remaining, 233.832031 MB of memory in use. ENERGY: 662400 3920.0678 20638.7550 14389.2079 251.6656 -203062.6268 2528.0344 0.0000 0.0000 52131.4031 -109203.4929 299.5999 -161334.8961 -108843.5616 299.9155 26.9845 54.3275 761635.7704 5.4225 5.3152 PRESSURE: 662600 -521.404 -189.283 76.7896 -189.283 55.597 -27.5885 76.7893 -27.5884 168.981 GPRESSURE: 662600 -419.532 -107.548 16.0922 -102.54 66.3859 -0.919497 -41.4372 -108.715 129.651 PRESSAVG: 662600 -101.604 -44.5633 23.5015 -44.5633 54.9107 28.1628 23.5015 28.1628 21.0384 GPRESSAVG: 662600 -102.098 -44.6205 25.3359 -41.9423 56.136 28.695 21.2774 25.3048 20.1708 TIMING: 662600 CPU: 2085.04, 0.0031196/step Wall: 2085.04, 0.0031196/step, 3.7586 hours remaining, 233.832031 MB of memory in use. ENERGY: 662600 4009.6462 20365.5205 14509.7373 266.4379 -203016.8532 2311.3143 0.0000 0.0000 52057.4212 -109496.7757 299.1747 -161554.1970 -109124.9468 299.8332 -98.9422 -74.4985 762173.7450 -8.5517 -8.5972 PRESSURE: 662800 -239.915 -53.4711 49.8561 -53.4701 -191.354 210.78 49.8562 210.78 -187.205 GPRESSURE: 662800 -184.051 21.1693 45.4848 -74.9355 -147.065 249.96 167.145 216.016 -205.043 PRESSAVG: 662800 -16.4397 16.8964 44.1606 16.8964 26.0219 48.1147 44.1606 48.1146 -7.0036 GPRESSAVG: 662800 -14.8367 16.1474 41.931 17.9511 25.1084 46.0474 47.686 48.3616 -7.73614 TIMING: 662800 CPU: 2085.67, 0.0031522/step Wall: 2085.67, 0.0031522/step, 3.7977 hours remaining, 233.832031 MB of memory in use. ENERGY: 662800 4025.7311 20474.4409 14401.4611 237.7728 -202963.0243 2397.0166 0.0000 0.0000 51741.1896 -109685.4122 297.3573 -161426.6018 -109323.1263 299.0907 -206.1583 -178.7197 760391.8542 0.8595 0.8452 PRESSURE: 663000 161.477 -97.7031 117.682 -97.7033 -362.992 -102.13 117.683 -102.129 136.411 GPRESSURE: 663000 100.521 70.1303 174.039 -102.926 -323.298 -121.483 162.197 -90.0485 232.321 PRESSAVG: 663000 9.45606 -55.9329 67.7813 -55.9329 1.98583 65.9464 67.7814 65.9463 -0.236264 GPRESSAVG: 663000 7.97866 -55.0077 69.5188 -57.8861 1.40226 67.0052 66.5704 65.7545 1.74672 TIMING: 663000 CPU: 2086.3, 0.0031471/step Wall: 2086.3, 0.0031471/step, 3.79138 hours remaining, 233.832031 MB of memory in use. ENERGY: 663000 3914.5562 20613.3197 14440.0577 234.3531 -203366.5179 2423.5589 0.0000 0.0000 51914.5434 -109826.1288 298.3536 -161740.6722 -109465.6339 298.9352 -21.7014 3.1814 761562.4862 3.7352 3.7092 PRESSURE: 663200 -168.312 147.473 -43.5972 147.473 195.261 -207.971 -43.5975 -207.972 -444.954 GPRESSURE: 663200 -120.176 176.701 -36.7904 96.2542 150.555 -205.064 58.8631 -141.445 -367.94 PRESSAVG: 663200 46.8382 -6.6354 -28.6615 -6.63541 -9.34901 42.3359 -28.6616 42.3358 -27.6431 GPRESSAVG: 663200 46.4951 -6.64565 -28.8007 -6.22636 -8.04303 42.3275 -28.0922 43.8139 -27.9547 TIMING: 663200 CPU: 2086.93, 0.00313042/step Wall: 2086.93, 0.00313042/step, 3.77112 hours remaining, 233.832031 MB of memory in use. ENERGY: 663200 3927.2972 20399.7032 14433.2357 249.5688 -203410.1585 2371.0791 0.0000 0.0000 51997.8625 -110031.4120 298.8324 -162029.2745 -109672.9748 298.1670 -139.3349 -112.5203 760471.1744 3.2820 3.4991 PRESSURE: 663400 431.149 -165.655 353.826 -165.655 114.781 91.5514 353.827 91.5511 212.651 GPRESSURE: 663400 415.72 -148.283 352.821 -183.048 191.397 68.8615 212.76 148.096 250.031 PRESSAVG: 663400 42.205 -53.9912 1.26514 -53.9913 -46.5847 58.0415 1.26517 58.0416 32.3234 GPRESSAVG: 663400 42.9075 -54.749 1.21419 -54.8771 -46.3096 58.3001 -1.33033 55.3686 31.2513 TIMING: 663400 CPU: 2087.56, 0.0031721/step Wall: 2087.56, 0.0031721/step, 3.82115 hours remaining, 233.832031 MB of memory in use. ENERGY: 663400 3939.8445 20355.1781 14443.5298 242.5204 -203558.0169 2622.3170 0.0000 0.0000 51732.8318 -110221.7953 297.3093 -161954.6271 -109867.2692 297.8350 252.8600 285.7159 760437.4336 9.3146 9.2830 PRESSURE: 663600 116.106 -19.439 87.6566 -19.4384 -99.6773 -29.3077 87.6566 -29.3083 -226.632 GPRESSURE: 663600 108.066 -124.248 101.665 -145.31 -40.8103 -119.146 68.3257 21.6208 -175.617 PRESSAVG: 663600 24.5934 -13.4619 33.7019 -13.4619 -13.2097 15.9787 33.7019 15.9786 28.0322 GPRESSAVG: 663600 23.5033 -14.977 32.9377 -11.6786 -13.7048 15.0511 33.8715 17.4206 29.2757 TIMING: 663600 CPU: 2088.19, 0.00312674/step Wall: 2088.19, 0.00312674/step, 3.76633 hours remaining, 233.832031 MB of memory in use. ENERGY: 663600 3967.2958 20291.2120 14505.3205 255.8812 -203466.5395 2525.1698 0.0000 0.0000 51885.1225 -110036.5379 298.1845 -161921.6604 -109682.3181 298.0133 -70.0678 -36.1204 760286.7531 13.1386 13.0247 PRESSURE: 663800 -217.156 106.011 51.9025 106.011 11.4054 19.727 51.9025 19.7272 -313.456 GPRESSURE: 663800 -101.369 31.6063 89.4628 182.776 -20.2226 13.3241 24.1947 30.3831 -305.882 PRESSAVG: 663800 37.8007 -10.6271 37.0827 -10.627 -65.6603 38.9205 37.0827 38.9205 -15.7595 GPRESSAVG: 663800 37.5538 -7.81312 36.8342 -12.6727 -64.4864 39.8953 37.445 39.5944 -17.3494 TIMING: 663800 CPU: 2088.81, 0.00312262/step Wall: 2088.81, 0.00312262/step, 3.7612 hours remaining, 233.832031 MB of memory in use. ENERGY: 663800 3957.5082 20252.6506 14403.1160 256.0520 -203436.1735 2656.8033 0.0000 0.0000 52010.2012 -109899.8420 298.9033 -161910.0433 -109539.3309 298.0219 -173.0687 -142.4912 761366.8583 -14.5397 -14.7607 PRESSURE: 664000 -98.0148 -65.3987 -68.4478 -65.3985 65.6701 97.1099 -68.4471 97.1096 -98.7888 GPRESSURE: 664000 6.15084 -40.7683 -169.376 -107.376 88.1309 32.0563 -25.6226 123.315 -115.603 PRESSAVG: 664000 66.1206 -6.46011 26.6297 -6.46008 -67.9629 72.3972 26.6297 72.3971 -3.56606 GPRESSAVG: 664000 66.99 -9.29488 26.8673 -5.69493 -69.213 71.7657 28.8695 72.5857 -2.73333 TIMING: 664000 CPU: 2089.44, 0.00313378/step Wall: 2089.44, 0.00313378/step, 3.77447 hours remaining, 233.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 664000 3965.8907 20384.8375 14466.9927 240.5665 -203406.2146 2420.7845 0.0000 0.0000 51986.0363 -109941.1065 298.7645 -161927.1427 -109576.5750 298.1964 -43.7112 -7.1070 760707.6883 -1.8028 -1.6521 PRESSURE: 664200 -285.284 -27.3617 163.397 -27.362 -336.961 -178.866 163.397 -178.865 -195.762 GPRESSURE: 664200 -199.391 -69.81 178.226 3.86457 -299.179 -217.984 262.531 -103.632 -214.48 PRESSAVG: 664200 -16.9389 -59.6583 -18.5094 -59.6583 -7.23014 10.3096 -18.5095 10.3096 12.057 GPRESSAVG: 664200 -16.8016 -60.8347 -17.5519 -57.7476 -7.4714 9.92967 -20.1001 10.6616 12.3028 TIMING: 664200 CPU: 2090.07, 0.00313914/step Wall: 2090.07, 0.00313914/step, 3.78075 hours remaining, 233.832031 MB of memory in use. ENERGY: 664200 4011.3616 20391.6777 14448.2444 239.1516 -203413.9202 2442.0617 0.0000 0.0000 52108.5345 -109772.8888 299.4685 -161881.4233 -109414.8801 298.2323 -272.6690 -237.6837 761791.4817 -4.0374 -3.9901 LDB: ============= START OF LOAD BALANCING ============== 2102.46 LDB: ============== END OF LOAD BALANCING =============== 2102.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2102.47 LDB: ============= START OF LOAD BALANCING ============== 2102.78 LDB: Largest compute 7056 load 0.031254 is 16.0% of average load 0.195721 LDB: Average compute 0.004358 is 2.2% of average load 0.195721 LDB: TIME 2102.78 LOAD: AVG 0.195721 MAX 0.215648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 2102.78 LOAD: AVG 0.195721 MAX 0.215648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: TIME 2102.78 LOAD: AVG 0.195721 MAX 0.215648 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: ============== END OF LOAD BALANCING =============== 2102.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2102.79 PRESSURE: 664400 -130.358 45.8065 252.542 45.8063 -281.562 71.6264 252.541 71.627 -0.368182 GPRESSURE: 664400 -126.907 132.126 250.126 138.877 -264.878 141.092 99.6822 52.634 51.225 PRESSAVG: 664400 -7.02535 -52.0844 48.0491 -52.0843 0.389581 28.4803 48.0491 28.4803 2.30182 GPRESSAVG: 664400 -8.97465 -50.0846 48.7594 -53.5124 1.94869 27.746 46.4898 28.2785 2.85135 TIMING: 664400 CPU: 2090.71, 0.0032103/step Wall: 2090.71, 0.0032103/step, 3.86628 hours remaining, 233.113281 MB of memory in use. ENERGY: 664400 3946.3939 20381.7211 14429.0123 246.0436 -203188.3957 2337.3252 0.0000 0.0000 52085.2907 -109762.6089 299.3349 -161847.8996 -109388.3324 299.0017 -137.4292 -113.5202 761301.7268 -1.4446 -1.3915 PRESSURE: 664600 142.083 -177.851 17.7144 -177.851 332.355 -18.8667 17.7144 -18.8673 271.619 GPRESSURE: 664600 316.497 -185.268 38.556 -174.613 286.662 21.2914 -63.7604 -60.5573 236.835 PRESSAVG: 664600 38.8592 -44.9066 5.12303 -44.9067 -11.8572 -0.473645 5.12308 -0.473583 7.03588 GPRESSAVG: 664600 40.4632 -46.4452 4.078 -45.984 -13.3463 0.629221 7.53114 -0.409315 6.51119 TIMING: 664600 CPU: 2091.33, 0.00312776/step Wall: 2091.33, 0.00312776/step, 3.76669 hours remaining, 233.316406 MB of memory in use. ENERGY: 664600 3941.2399 20505.8413 14514.4342 235.8196 -204106.4421 3007.4281 0.0000 0.0000 52008.4773 -109893.2017 298.8934 -161901.6790 -109529.7080 298.6410 248.6854 279.9981 760150.2253 11.3460 11.2094 PRESSURE: 664800 75.1395 153.046 -3.79578 153.046 -50.0175 228.68 -3.79656 228.679 -115.2 GPRESSURE: 664800 105.581 119.037 4.53182 206.024 -7.67599 204.943 -54.1984 171.112 -125.971 PRESSAVG: 664800 -15.9233 -4.29313 -23.6527 -4.29319 67.4926 -24.2772 -23.6527 -24.2772 -14.7699 GPRESSAVG: 664800 -15.5584 -3.09053 -23.0194 -3.49682 66.9151 -25.2497 -25.333 -24.5222 -14.6448 TIMING: 664800 CPU: 2091.96, 0.00313454/step Wall: 2091.96, 0.00313454/step, 3.77469 hours remaining, 233.316406 MB of memory in use. ENERGY: 664800 4022.4921 20504.4059 14399.2396 251.1012 -203353.1466 2381.9853 0.0000 0.0000 51886.8818 -109907.0407 298.1946 -161793.9225 -109541.0923 298.3424 -30.0258 -9.3556 760864.8391 12.2665 12.2373 PRESSURE: 665000 -239.459 16.78 -48.2586 16.7805 -46.5163 -52.7052 -48.2584 -52.7036 -164.827 GPRESSURE: 665000 -160.984 4.16424 -102.946 -23.5529 -15.0876 -55.3316 10.8398 -2.9724 -210.009 PRESSAVG: 665000 -32.6195 -9.45941 -37.5765 -9.45934 5.48062 57.1348 -37.5765 57.1348 -29.9724 GPRESSAVG: 665000 -33.7353 -9.41292 -39.3062 -9.55658 6.72384 56.8216 -36.9915 57.9861 -30.1794 TIMING: 665000 CPU: 2092.59, 0.00312952/step Wall: 2092.59, 0.00312952/step, 3.76847 hours remaining, 233.316406 MB of memory in use. ENERGY: 665000 3977.9615 20393.8000 14426.9433 270.3337 -203722.9120 2618.3926 0.0000 0.0000 52165.7433 -109869.7375 299.7972 -162035.4808 -109499.6279 299.0279 -150.2672 -128.6938 760522.0635 -19.0371 -19.0636 PRESSURE: 665200 1.51269 105.413 422.921 105.413 -79.4986 -14.0894 422.921 -14.0888 115.548 GPRESSURE: 665200 99.2986 43.6277 493.229 199.632 -25.0548 89.8259 247.095 -146.435 50.7475 PRESSAVG: 665200 23.8522 -32.7589 11.7281 -32.7589 6.21402 29.5437 11.728 29.5436 0.72353 GPRESSAVG: 665200 25.1576 -33.2112 11.4798 -33.0685 5.80587 31.0317 12.1124 28.1542 -0.299047 TIMING: 665200 CPU: 2093.22, 0.00314927/step Wall: 2093.22, 0.00314927/step, 3.79207 hours remaining, 233.316406 MB of memory in use. ENERGY: 665200 3969.1377 20441.6251 14442.7695 238.9900 -203903.2833 2678.1046 0.0000 0.0000 51891.7731 -110240.8833 298.2227 -162132.6564 -109881.9902 298.3712 12.5208 41.6638 759373.6439 10.2633 10.2215 PRESSURE: 665400 -145.782 -50.7796 155.752 -50.7794 -179.864 6.47939 155.752 6.47742 72.7565 GPRESSURE: 665400 -122.224 52.8083 178.646 -76.7531 -130.823 17.5099 148.48 -30.9852 98.5155 PRESSAVG: 665400 26.2106 -7.11025 12.0116 -7.11028 -67.8304 24.3583 12.0116 24.3584 -4.72434 GPRESSAVG: 665400 25.3665 -5.11511 14.103 -7.68701 -67.6024 24.1259 11.2671 26.4616 -4.58429 TIMING: 665400 CPU: 2093.85, 0.00314754/step Wall: 2093.85, 0.00314754/step, 3.78981 hours remaining, 233.316406 MB of memory in use. ENERGY: 665400 3988.3797 20374.7709 14441.7200 233.3707 -203578.2468 2458.8641 0.0000 0.0000 52020.9498 -110060.1916 298.9651 -162081.1414 -109704.6483 298.3847 -84.2963 -51.5105 760588.7233 -15.4480 -15.6067 PRESSURE: 665600 -36.0424 -155.357 -37.2389 -155.358 151.272 194.568 -37.239 194.566 85.7097 GPRESSURE: 665600 61.2641 37.2865 -63.2644 -183.156 205.499 149.697 -71.5252 355.798 26.0598 PRESSAVG: 665600 -32.6985 7.39318 27.5191 7.3931 20.9776 64.6467 27.519 64.6468 0.795913 GPRESSAVG: 665600 -33.109 7.07108 26.5161 8.14072 21.6938 64.5536 26.912 64.272 0.377921 TIMING: 665600 CPU: 2094.47, 0.00313793/step Wall: 2094.47, 0.00313793/step, 3.77807 hours remaining, 233.316406 MB of memory in use. ENERGY: 665600 3973.2136 20465.7692 14457.9984 232.4588 -203781.9156 2641.6383 0.0000 0.0000 51920.4094 -110090.4280 298.3873 -162010.8374 -109725.3619 297.8189 66.9799 97.6077 760957.0620 -3.6416 -3.6791 PRESSURE: 665800 52.3849 158.819 134.737 158.819 79.4265 110.523 134.737 110.522 -15.4723 GPRESSURE: 665800 100.466 63.6355 107.059 160.356 95.8072 136.089 280.113 99.3073 24.4432 PRESSAVG: 665800 3.25797 -48.4284 -0.115915 -48.4285 -5.19664 -26.0164 -0.115932 -26.0165 21.8324 GPRESSAVG: 665800 2.97558 -50.1617 1.10102 -47.9053 -5.2758 -25.1418 1.04052 -27.474 22.8398 TIMING: 665800 CPU: 2095.1, 0.00313705/step Wall: 2095.1, 0.00313705/step, 3.77683 hours remaining, 233.316406 MB of memory in use. ENERGY: 665800 3928.9437 20572.2921 14411.0020 245.5939 -203497.0965 2603.3725 0.0000 0.0000 51932.2401 -109803.6522 298.4553 -161735.8923 -109443.2741 298.2581 38.7797 73.5720 759049.4334 6.6312 6.8465 PRESSURE: 666000 528.934 192.011 -307.712 192.01 426.759 -3.92936 -307.712 -3.92856 297.114 GPRESSURE: 666000 547.123 92.9202 -351.963 99.3525 486.466 3.6524 -341.341 57.9912 296.727 PRESSAVG: 666000 2.05257 -4.08693 -16.9804 -4.08692 -0.0559988 -24.4026 -16.9804 -24.4026 5.79179 GPRESSAVG: 666000 2.03877 -4.01606 -19.6344 -3.45294 -0.437973 -23.9349 -17.8573 -24.2345 5.98671 TIMING: 666000 CPU: 2095.73, 0.00313776/step Wall: 2095.73, 0.00313776/step, 3.77751 hours remaining, 233.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 666000 3966.2095 20427.3226 14375.0579 255.3407 -203858.4159 2950.6446 0.0000 0.0000 51879.7543 -110004.0863 298.1537 -161883.8406 -109639.8955 298.4720 417.6026 443.4386 758838.6632 2.5961 2.5292 PRESSURE: 666200 7.5009 18.2662 42.2093 18.266 74.4465 -27.9902 42.2092 -27.9907 170.115 GPRESSURE: 666200 14.8924 113.649 -1.97742 67.2476 191.607 0.260215 90.4402 -6.62189 140.652 PRESSAVG: 666200 32.1582 -20.0036 -54.3583 -20.0036 21.8838 -27.7828 -54.3583 -27.7828 -27.9962 GPRESSAVG: 666200 32.5905 -20.1241 -53.3631 -20.7015 22.0822 -29.5366 -50.3556 -25.843 -28.962 TIMING: 666200 CPU: 2096.35, 0.00312495/step Wall: 2096.35, 0.00312495/step, 3.76192 hours remaining, 233.316406 MB of memory in use. ENERGY: 666200 3931.7768 20420.3799 14329.1417 240.9886 -203292.3705 2552.2957 0.0000 0.0000 52005.8753 -109811.9125 298.8785 -161817.7878 -109448.3143 298.3486 84.0207 115.7174 760391.9086 8.6820 8.5702 PRESSURE: 666400 -9.62928 -90.8115 182.582 -90.811 160.611 226.999 182.582 227 119.497 GPRESSURE: 666400 33.1911 -109.236 190.77 -58.5677 146.986 153.611 139.649 217.425 173.743 PRESSAVG: 666400 33.76 12.4378 7.51397 12.4378 -6.36795 -0.145181 7.51394 -0.145077 10.8761 GPRESSAVG: 666400 33.4005 10.6468 6.66903 13.5234 -6.14205 1.11612 4.18622 -2.47218 10.5098 TIMING: 666400 CPU: 2096.98, 0.00311763/step Wall: 2096.98, 0.00311763/step, 3.75293 hours remaining, 233.316406 MB of memory in use. ENERGY: 666400 4002.0635 20363.7035 14440.9615 252.3751 -203418.2158 2568.2269 0.0000 0.0000 51865.3409 -109925.5444 298.0708 -161790.8853 -109576.0817 298.6062 90.1597 117.9731 760036.9610 12.7560 12.5894 PRESSURE: 666600 157.603 98.5221 281.592 98.5227 45.1635 143.611 281.592 143.611 67.7069 GPRESSURE: 666600 167.07 43.2217 273.813 147.178 78.5011 95.0075 99.7036 211.509 101.964 PRESSAVG: 666600 31.5661 -18.1285 24.5843 -18.1286 -36.5829 3.98755 24.5843 3.98754 -11.1826 GPRESSAVG: 666600 31.2344 -16.3575 25.2747 -20.0502 -37.7531 3.55519 23.7906 5.59031 -9.88938 TIMING: 666600 CPU: 2097.61, 0.00314936/step Wall: 2097.61, 0.00314936/step, 3.79096 hours remaining, 233.316406 MB of memory in use. ENERGY: 666600 3934.0333 20544.5021 14423.4986 227.7005 -203426.9897 2520.0477 0.0000 0.0000 52079.7842 -109697.4233 299.3032 -161777.2076 -109343.6870 298.6820 90.1579 115.8453 760666.4043 -5.3998 -5.4694 PRESSURE: 666800 -16.3127 -219.378 -285.811 -219.377 51.3664 -97.0918 -285.811 -97.0928 291.46 GPRESSURE: 666800 31.2194 -70.925 -256.133 -269.644 64.3765 -58.3618 -191.623 -54.1562 312.742 PRESSAVG: 666800 -7.47379 -26.8438 -37.3076 -26.8438 16.7485 7.44906 -37.3076 7.44905 14.2902 GPRESSAVG: 666800 -5.94065 -26.6608 -36.549 -26.6248 16.401 6.12385 -36.1508 9.15431 13.3744 TIMING: 666800 CPU: 2098.24, 0.00314297/step Wall: 2098.24, 0.00314297/step, 3.78309 hours remaining, 233.316406 MB of memory in use. ENERGY: 666800 3936.3225 20373.4322 14392.7236 259.7050 -203292.6688 2383.5356 0.0000 0.0000 52095.3083 -109851.6416 299.3925 -161946.9499 -109485.7859 298.4071 108.8378 136.1128 759982.4164 7.8550 7.9449 PRESSURE: 667000 389.775 103.993 3.84475 103.993 34.5775 80.4274 3.84496 80.4282 455.465 GPRESSURE: 667000 436.916 168.718 -40.221 67.2031 115.145 101.924 61.9444 -8.46898 432.901 PRESSAVG: 667000 46.8276 -22.2589 4.15519 -22.2589 -17.1174 -26.2537 4.1552 -26.2536 -2.45256 GPRESSAVG: 667000 46.1095 -19.8298 3.67958 -22.9324 -15.3868 -25.1752 5.97192 -27.3497 -2.99842 TIMING: 667000 CPU: 2098.87, 0.00314952/step Wall: 2098.87, 0.00314952/step, 3.7908 hours remaining, 233.316406 MB of memory in use. ENERGY: 667000 3921.3856 20321.6744 14411.5711 256.2283 -203053.5400 2406.7084 0.0000 0.0000 52188.3673 -109547.6049 299.9273 -161735.9722 -109177.2730 298.9098 293.2725 328.3206 760320.2684 9.0859 9.2415 PRESSURE: 667200 -238.429 -37.0958 -46.5542 -37.0953 215.506 239.433 -46.554 239.433 -245.302 GPRESSURE: 667200 -222.448 -46.3024 -61.2463 -48.0196 148.182 347.935 -144.158 146.642 -108.77 PRESSAVG: 667200 12.8177 -35.9867 -20.8307 -35.9867 -48.4524 14.7888 -20.8307 14.7888 -9.36397 GPRESSAVG: 667200 12.9704 -40.1906 -21.4991 -34.3361 -50.3694 15.6649 -23.7901 13.532 -7.9167 TIMING: 667200 CPU: 2099.49, 0.00312778/step Wall: 2099.49, 0.00312778/step, 3.76445 hours remaining, 233.316406 MB of memory in use. ENERGY: 667200 3964.7236 20367.3131 14407.6767 244.1632 -202916.4720 2234.6143 0.0000 0.0000 52100.0455 -109597.9357 299.4197 -161697.9812 -109238.6365 298.7022 -89.4082 -61.0118 759951.1397 -14.9996 -15.1052 PRESSURE: 667400 233.383 40.9957 -13.5697 40.9948 184.14 108.001 -13.5703 108.001 254.022 GPRESSURE: 667400 280.647 119.231 -32.5556 6.48876 211.838 95.8605 -17.8965 123.804 255.469 PRESSAVG: 667400 33.4136 -71.8048 -35.144 -71.8048 -22.7119 90.3984 -35.1439 90.3984 13.2597 GPRESSAVG: 667400 34.1402 -70.049 -33.2398 -72.9137 -23.0103 90.1082 -34.8033 89.1014 12.2537 TIMING: 667400 CPU: 2100.12, 0.00313462/step Wall: 2100.12, 0.00313462/step, 3.77251 hours remaining, 233.316406 MB of memory in use. ENERGY: 667400 3959.4368 20458.1545 14413.1104 247.6480 -203461.1210 2744.2382 0.0000 0.0000 51796.0139 -109842.5192 297.6724 -161638.5332 -109497.0112 298.5043 223.8482 249.3178 758943.1801 7.9871 7.7945 PRESSURE: 667600 61.8408 4.49106 6.54816 4.4918 143.056 -315.517 6.5486 -315.516 120.662 GPRESSURE: 667600 100.72 -50.1632 -3.32322 83.9285 185.403 -302.843 -129.422 -112.662 134.669 PRESSAVG: 667600 40.2953 -59.1777 10.4988 -59.1776 0.602047 43.6311 10.4988 43.6311 14.4105 GPRESSAVG: 667600 38.5096 -60.4039 10.4183 -57.0941 3.11226 44.0459 8.99708 44.87 14.0692 TIMING: 667600 CPU: 2100.75, 0.00314177/step Wall: 2100.75, 0.00314177/step, 3.78095 hours remaining, 233.316406 MB of memory in use. ENERGY: 667600 4014.5541 20379.5309 14437.4479 231.8639 -203488.6854 2552.4712 0.0000 0.0000 52028.8719 -109843.9456 299.0106 -161872.8174 -109484.9699 298.3814 108.5196 140.2639 759776.0899 18.4359 18.5637 PRESSURE: 667800 -114.717 32.1322 182.133 32.1314 126.37 -59.0375 182.133 -59.0367 135.647 GPRESSURE: 667800 4.39338 22.1235 223.805 -3.72966 120 -81.895 112.236 -139.588 97.5674 PRESSAVG: 667800 55.6696 -70.8547 6.54144 -70.8546 -12.3844 4.30991 6.54143 4.30989 -7.68043 GPRESSAVG: 667800 56.9609 -69.2464 6.31641 -71.7064 -13.693 3.6855 6.01396 4.11623 -7.75328 TIMING: 667800 CPU: 2101.37, 0.00313189/step Wall: 2101.37, 0.00313189/step, 3.76888 hours remaining, 233.316406 MB of memory in use. ENERGY: 667800 3899.9200 20544.1490 14455.2688 225.1919 -203395.1798 2379.4191 0.0000 0.0000 52143.8546 -109747.3765 299.6714 -161891.2311 -109379.8685 298.8374 49.1000 73.9871 759250.0099 11.8682 11.8382 PRESSURE: 668000 91.9366 -175.369 -102.441 -175.369 365.829 211.857 -102.441 211.857 117.604 GPRESSURE: 668000 184.236 -166.999 -106.075 -128.124 247.279 234.401 -14.9262 212.365 201.006 PRESSAVG: 668000 7.74573 -38.5887 -30.9634 -38.5887 -17.5653 14.2459 -30.9634 14.2459 0.763834 GPRESSAVG: 668000 8.72658 -39.7972 -31.4351 -39.0256 -17.7281 13.1396 -29.2232 12.9954 0.350273 TIMING: 668000 CPU: 2102, 0.00313951/step Wall: 2102, 0.00313951/step, 3.77787 hours remaining, 233.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 668000 3969.4344 20546.2606 14415.0200 235.2791 -203300.1288 2548.9483 0.0000 0.0000 51786.5571 -109798.6295 297.6181 -161585.1865 -109439.3664 298.7546 191.7898 210.8401 759694.8994 -3.0186 -2.8838 PRESSURE: 668200 8.60331 53.4834 60.4774 53.4845 78.1577 82.5299 60.4783 82.5296 282.013 GPRESSURE: 668200 -18.969 30.3829 65.2722 -81.1009 121.218 4.15131 36.5386 138.012 338.78 PRESSAVG: 668200 -7.94895 -8.88795 -0.945324 -8.88801 56.0498 79.7211 -0.945288 79.7211 -13.3107 GPRESSAVG: 668200 -9.86976 -8.23134 -0.563452 -9.31612 54.5992 80.3151 -1.93986 80.4589 -10.0133 TIMING: 668200 CPU: 2102.63, 0.00313673/step Wall: 2102.63, 0.00313673/step, 3.77436 hours remaining, 233.316406 MB of memory in use. ENERGY: 668200 3961.5762 20472.7302 14390.4049 238.5333 -203314.0317 2564.2681 0.0000 0.0000 52067.6333 -109618.8856 299.2334 -161686.5189 -109258.8169 299.0839 122.9247 147.0096 759115.6033 11.5967 11.5720 LDB: ============= START OF LOAD BALANCING ============== 2115.03 LDB: ============== END OF LOAD BALANCING =============== 2115.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2115.03 LDB: ============= START OF LOAD BALANCING ============== 2115.34 LDB: Largest compute 7056 load 0.031849 is 16.3% of average load 0.195862 LDB: Average compute 0.004354 is 2.2% of average load 0.195862 LDB: TIME 2115.35 LOAD: AVG 0.195862 MAX 0.216674 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.859 MB LDB: TIME 2115.35 LOAD: AVG 0.195862 MAX 0.216674 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 2115.35 LOAD: AVG 0.195862 MAX 0.216674 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 2115.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2115.35 PRESSURE: 668400 342.34 -78.2285 -28.8726 -78.2285 -220.544 -20.3154 -28.8718 -20.3159 635.472 GPRESSURE: 668400 245.946 -159.318 20.6961 -96.8873 -60.0046 13.8815 -137.59 -20.24 655.87 PRESSAVG: 668400 14.8122 -16.5331 -14.9738 -16.533 6.80172 23.3965 -14.9738 23.3964 -9.71976 GPRESSAVG: 668400 15.2757 -14.0838 -15.5256 -16.1207 8.86526 23.7395 -12.7172 22.4969 -12.302 TIMING: 668400 CPU: 2103.27, 0.00321385/step Wall: 2103.27, 0.00321385/step, 3.86698 hours remaining, 232.089844 MB of memory in use. ENERGY: 668400 3963.7868 20440.2709 14500.3599 243.2208 -203483.3955 2720.3859 0.0000 0.0000 52006.5592 -109608.8120 298.8824 -161615.3712 -109252.9118 299.0546 252.4227 280.6035 759701.1763 3.9647 3.9463 PRESSURE: 668600 317.882 39.7473 -49.6862 39.7473 26.8107 -34.2645 -49.6871 -34.2652 52.3734 GPRESSURE: 668600 327.502 1.60492 -20.4518 78.2792 49.0512 -23.8508 4.64314 -75.4255 89.1562 PRESSAVG: 668600 -9.23749 -48.7151 -0.721402 -48.7152 -30.4599 21.1156 -0.721443 21.1155 17.1782 GPRESSAVG: 668600 -10.8212 -51.3517 0.696664 -48.1626 -29.4014 20.941 -2.03832 22.8472 18.0191 TIMING: 668600 CPU: 2103.9, 0.00313375/step Wall: 2103.9, 0.00313375/step, 3.77043 hours remaining, 232.179688 MB of memory in use. ENERGY: 668600 3896.8987 20493.2324 14416.8666 269.6117 -203474.1535 2861.0821 0.0000 0.0000 52013.0107 -109523.4512 298.9195 -161536.4619 -109164.3029 299.0664 132.3555 155.2363 760104.3867 -7.5064 -7.4012 PRESSURE: 668800 -329.378 54.8938 -103.293 54.8945 -287.622 87.4763 -103.294 87.4762 -257.46 GPRESSURE: 668800 -330.733 124.218 46.1465 44.2163 -224.865 57.1447 -84.522 184.616 -220.712 PRESSAVG: 668800 10.6587 -62.2162 -7.55925 -62.2161 -39.658 16.2134 -7.55918 16.2134 15.6834 GPRESSAVG: 668800 12.602 -62.2074 -9.37986 -61.127 -42.1044 14.9543 -5.37585 16.7761 15.9072 TIMING: 668800 CPU: 2104.52, 0.00313101/step Wall: 2104.52, 0.00313101/step, 3.76695 hours remaining, 232.179688 MB of memory in use. ENERGY: 668800 4042.0512 20499.4195 14383.5336 249.2481 -203265.3881 2510.8231 0.0000 0.0000 51878.1264 -109702.1861 298.1443 -161580.3125 -109335.1903 298.8836 -291.4867 -258.7698 761404.6237 -4.4386 -4.5317 PRESSURE: 669000 87.8736 48.8403 -37.9967 48.8402 -176.48 -120.266 -37.9962 -120.267 -124.764 GPRESSURE: 669000 32.7633 77.3954 -6.2651 106.03 -74.2067 -179.943 -56.1967 -151.433 -94.467 PRESSAVG: 669000 31.8031 -8.5346 -18.4742 -8.53462 -47.0579 45.8737 -18.4742 45.8737 -7.66956 GPRESSAVG: 669000 30.1164 -9.65563 -18.5761 -8.85139 -45.9284 47.6961 -19.7133 45.1693 -7.6734 TIMING: 669000 CPU: 2105.15, 0.00313554/step Wall: 2105.15, 0.00313554/step, 3.77223 hours remaining, 232.179688 MB of memory in use. ENERGY: 669000 3997.7464 20533.7307 14407.0117 247.6749 -203445.3490 2605.0861 0.0000 0.0000 51847.9654 -109806.1339 297.9710 -161654.0993 -109448.6373 298.7954 -71.1232 -45.3035 761489.1019 -7.6414 -7.8285 PRESSURE: 669200 -400.575 -118.341 -45.1948 -118.34 -365.015 79.6642 -45.1941 79.6638 -120.977 GPRESSURE: 669200 -366.443 -135.917 -55.3881 -31.135 -235.948 135.881 166.766 95.1562 -188.247 PRESSAVG: 669200 -4.54884 -35.1324 -2.5255 -35.1324 31.7291 44.4577 -2.52547 44.4577 -15.9623 GPRESSAVG: 669200 -3.34416 -34.2466 -1.68383 -35.8317 30.5412 43.9627 -2.06574 44.0994 -16.6563 TIMING: 669200 CPU: 2105.78, 0.00314098/step Wall: 2105.78, 0.00314098/step, 3.7786 hours remaining, 232.179688 MB of memory in use. ENERGY: 669200 3885.1103 20565.5287 14444.5662 240.9190 -203111.6508 2199.6909 0.0000 0.0000 51954.5800 -109821.2556 298.5837 -161775.8356 -109459.8291 299.3193 -295.5227 -263.5461 761900.4384 3.7393 3.5136 PRESSURE: 669400 62.0161 -79.9522 -14.5263 -79.9525 -511.081 -96.0464 -14.5257 -96.0469 -522.475 GPRESSURE: 669400 31.7444 -56.0339 36.692 19.9645 -494.351 -94.9622 83.5148 31.5834 -436.55 PRESSAVG: 669400 58.5068 25.0726 22.51 25.0725 -38.7383 21.9726 22.51 21.9727 2.25588 GPRESSAVG: 669400 57.6262 25.131 22.9561 26.3641 -38.0032 21.7925 21.7051 22.6584 2.40509 TIMING: 669400 CPU: 2106.4, 0.00311993/step Wall: 2106.4, 0.00311993/step, 3.75311 hours remaining, 232.179688 MB of memory in use. ENERGY: 669400 3954.1143 20452.2273 14441.3667 256.8443 -203265.2226 2353.2787 0.0000 0.0000 51989.0617 -109818.3297 298.7819 -161807.3914 -109461.9912 298.8018 -323.8465 -299.7189 760979.9085 7.3414 7.3427 PRESSURE: 669600 -153.79 190.017 10.6839 190.018 -327.124 82.7235 10.6842 82.7229 122.569 GPRESSURE: 669600 -69.5708 49.2879 -57.3955 190.283 -235.308 32.8573 -2.78016 -4.46963 37.889 PRESSAVG: 669600 -2.18638 -14.3947 13.479 -14.3947 -8.41431 -1.2531 13.479 -1.25307 -17.4494 GPRESSAVG: 669600 -1.92343 -15.3828 11.8314 -13.6601 -8.85421 0.649013 13.0475 -1.68469 -16.9433 TIMING: 669600 CPU: 2107.03, 0.00313409/step Wall: 2107.03, 0.00313409/step, 3.76997 hours remaining, 232.179688 MB of memory in use. ENERGY: 669600 3994.1379 20441.1873 14455.4993 237.2397 -203844.1115 2686.7179 0.0000 0.0000 52375.9551 -109653.3743 301.0053 -162029.3294 -109288.5762 299.3551 -119.4483 -88.9966 761819.0144 -9.3500 -9.2403 PRESSURE: 669800 296.254 -38.0284 -181.129 -38.0283 117.603 92.551 -181.129 92.551 436.908 GPRESSURE: 669800 369.346 65.5628 -159.943 28.8751 105.666 -33.3929 -303.393 96.7718 456.091 PRESSAVG: 669800 23.8349 29.6309 1.85682 29.631 -37.1386 25.1168 1.85684 25.1168 -4.47899 GPRESSAVG: 669800 24.9677 29.3889 4.27978 28.7093 -37.1296 22.8692 0.755498 25.3953 -5.33029 TIMING: 669800 CPU: 2107.65, 0.00311131/step Wall: 2107.65, 0.00311131/step, 3.74239 hours remaining, 232.179688 MB of memory in use. ENERGY: 669800 3956.1779 20240.3754 14475.0984 241.2453 -202905.4436 2517.8854 0.0000 0.0000 52009.6952 -109464.9660 298.9004 -161474.6613 -109105.5876 299.6862 283.5881 310.3674 760809.8589 -5.9276 -5.8307 PRESSURE: 670000 -43.1578 -116.796 110.985 -116.796 -126.323 -150.015 110.985 -150.015 302.957 GPRESSURE: 670000 69.1476 -100.161 67.7947 -74.1065 -80.9053 -65.9321 120.646 -135.099 215.714 PRESSAVG: 670000 37.9875 -13.7263 40.6527 -13.7263 -26.5975 63.8087 40.6527 63.8088 9.70108 GPRESSAVG: 670000 37.0883 -12.5088 39.212 -13.7671 -25.744 64.5489 40.4821 62.6724 9.64116 TIMING: 670000 CPU: 2108.28, 0.00313347/step Wall: 2108.28, 0.00313347/step, 3.76887 hours remaining, 232.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 670000 3986.0891 20388.8076 14553.5266 255.4434 -203310.4491 2658.8037 0.0000 0.0000 51936.0278 -109531.7510 298.4771 -161467.7787 -109174.6507 298.8109 44.4921 67.9853 760932.3169 7.0303 6.9952 PRESSURE: 670200 -177.035 107.915 -11.4576 107.915 -530.537 62.7536 -11.4577 62.7536 -109.703 GPRESSURE: 670200 -161.555 142.799 25.1273 14.8994 -492.974 124.629 -3.25069 34.5106 -76.3231 PRESSAVG: 670200 5.22441 3.26547 51.3755 3.26549 -34.9826 35.4857 51.3754 35.4858 -6.19934 GPRESSAVG: 670200 6.07211 3.47716 53.2477 1.27627 -36.5189 36.259 52.8583 36.5581 -4.71467 TIMING: 670200 CPU: 2108.9, 0.00312758/step Wall: 2108.9, 0.00312758/step, 3.76161 hours remaining, 232.179688 MB of memory in use. ENERGY: 670200 4050.0023 20608.1137 14440.0354 257.5210 -203156.9065 2204.0464 0.0000 0.0000 52121.9263 -109475.2613 299.5454 -161597.1877 -109118.0322 299.2812 -272.4249 -243.6172 760059.8732 -11.9858 -11.7205 PRESSURE: 670400 396.169 121.704 -150.457 121.703 289.322 -122.458 -150.456 -122.458 166.57 GPRESSURE: 670400 387.377 107.484 -163.907 15.2086 345.543 -102.425 -55.5994 -264.643 180.411 PRESSAVG: 670400 42.662 -44.0397 -19.4821 -44.0397 -25.5491 10.2937 -19.482 10.2938 4.65276 GPRESSAVG: 670400 41.3713 -44.5657 -23.0958 -43.1563 -24.2818 10.0677 -18.4655 7.90061 4.5436 TIMING: 670400 CPU: 2109.53, 0.00313794/step Wall: 2109.53, 0.00313794/step, 3.7739 hours remaining, 232.179688 MB of memory in use. ENERGY: 670400 3940.0941 20288.2795 14427.5287 232.0426 -203672.9700 2656.2226 0.0000 0.0000 52417.8970 -109710.9056 301.2464 -162128.8025 -109340.4347 299.7103 284.0201 304.4438 758783.9192 7.2552 7.2110 PRESSURE: 670600 281.929 -58.6941 6.04671 -58.6936 76.9854 -29.1519 6.04645 -29.1523 100.628 GPRESSURE: 670600 298.738 11.6714 -54.4021 -217.22 129.996 8.19634 -48.0806 -8.94857 116.843 PRESSAVG: 670600 53.6857 -61.5228 -9.96765 -61.5227 -38.3558 6.28361 -9.96762 6.28356 7.96165 GPRESSAVG: 670600 52.9402 -60.3273 -7.9475 -61.7931 -38.452 6.7192 -11.7183 7.9224 8.38911 TIMING: 670600 CPU: 2110.16, 0.00313396/step Wall: 2110.16, 0.00313396/step, 3.76894 hours remaining, 232.179688 MB of memory in use. ENERGY: 670600 4026.3150 20555.4013 14483.2226 256.5915 -203553.1130 2474.1842 0.0000 0.0000 52075.7143 -109681.6841 299.2798 -161757.3984 -109320.4757 299.6070 153.1807 181.8592 758648.3744 7.7639 7.6258 PRESSURE: 670800 -298.466 -13.1512 -255.215 -13.1511 -248.59 201.593 -255.216 201.593 -8.02897 GPRESSURE: 670800 -177.615 27.4695 -207.936 57.4968 -283.598 281.054 -175.291 69.9692 5.38372 PRESSAVG: 670800 59.0054 -98.9195 -29.1373 -98.9194 -26.0686 -4.89343 -29.1374 -4.89354 -0.776672 GPRESSAVG: 670800 59.0244 -99.8698 -28.7961 -98.5955 -25.9089 -5.49656 -28.0246 -3.83956 -1.0109 TIMING: 670800 CPU: 2110.79, 0.00315339/step Wall: 2110.79, 0.00315339/step, 3.79212 hours remaining, 232.179688 MB of memory in use. ENERGY: 670800 4021.3585 20405.2841 14424.7466 242.0777 -202949.6865 2055.2616 0.0000 0.0000 52213.6845 -109587.2735 300.0728 -161800.9580 -109220.0396 299.3792 -185.0283 -151.9431 761067.1461 10.7201 10.7015 PRESSURE: 671000 -445.092 -47.0403 148.137 -47.0409 -319.999 100.104 148.137 100.103 -258.755 GPRESSURE: 671000 -430.238 -75.5273 129.69 -63.3514 -197.442 118.488 186.216 57.0351 -287.41 PRESSAVG: 671000 7.97342 -54.7362 -38.3206 -54.7362 17.5389 40.0986 -38.3206 40.0986 -2.68407 GPRESSAVG: 671000 9.59259 -52.3701 -38.492 -52.7332 17.0161 40.3439 -38.3386 39.3432 -3.65058 TIMING: 671000 CPU: 2111.42, 0.00314223/step Wall: 2111.42, 0.00314223/step, 3.77853 hours remaining, 232.179688 MB of memory in use. ENERGY: 671000 4066.1309 20404.5549 14437.2286 245.6846 -203079.5892 2306.0761 0.0000 0.0000 52060.4159 -109559.4983 299.1919 -161619.9142 -109197.7342 299.3741 -341.2821 -305.0303 760513.8833 7.6094 7.6527 PRESSURE: 671200 375.675 307.917 27.7606 307.917 23.2187 -168.663 27.7609 -168.662 254.917 GPRESSURE: 671200 368.423 286.993 104.047 244.952 94.3323 -92.7453 3.83813 -194.593 282.82 PRESSAVG: 671200 26.5963 -26.8459 -10.4602 -26.8459 -43.7329 17.1306 -10.4602 17.1305 -0.897134 GPRESSAVG: 671200 26.3195 -28.3699 -10.3943 -27.4058 -43.6778 17.8706 -10.8549 17.1991 -0.474175 TIMING: 671200 CPU: 2112.04, 0.00311994/step Wall: 2112.04, 0.00311994/step, 3.75156 hours remaining, 232.179688 MB of memory in use. ENERGY: 671200 3914.4260 20518.6031 14391.7419 240.9827 -203484.2526 2507.9283 0.0000 0.0000 52038.7299 -109871.8408 299.0673 -161910.5707 -109516.2806 299.1056 217.9371 248.5250 759420.4055 -6.0112 -5.9442 PRESSURE: 671400 -212.752 270.3 -74.6235 270.3 78.4495 219.562 -74.6223 219.561 203.248 GPRESSURE: 671400 -142.609 208.082 -15.3606 243.238 116.187 200.768 -74.2018 185.364 163.976 PRESSAVG: 671400 4.22696 18.7407 -4.69763 18.7407 -21.6673 17.4676 -4.69767 17.4676 11.1946 GPRESSAVG: 671400 4.04674 18.386 -4.27713 17.0024 -20.9366 17.391 -4.34568 17.4375 10.933 TIMING: 671400 CPU: 2112.67, 0.00313097/step Wall: 2112.67, 0.00313096/step, 3.76464 hours remaining, 232.179688 MB of memory in use. ENERGY: 671400 3970.6013 20404.0996 14476.7313 246.5421 -203603.9971 2552.9303 0.0000 0.0000 52304.7086 -109648.3839 300.5959 -161953.0926 -109277.0391 298.7438 22.9819 45.8513 760408.0337 -2.0819 -1.9856 PRESSURE: 671600 -267.572 -213.05 -5.7501 -213.05 243.203 -28.2042 -5.75029 -28.2044 142.894 GPRESSURE: 671600 -129.495 -217.151 -23.8199 -171.884 194.181 -99.6566 -65.427 -98.7659 120.827 PRESSAVG: 671600 -19.4263 -72.5621 17.7488 -72.5621 33.4291 53.4506 17.7488 53.4506 -8.11159 GPRESSAVG: 671600 -19.6006 -72.8489 16.788 -70.1706 34.0715 52.7164 18.6359 52.0156 -8.63321 TIMING: 671600 CPU: 2113.29, 0.00312503/step Wall: 2113.29, 0.00312503/step, 3.75733 hours remaining, 232.179688 MB of memory in use. ENERGY: 671600 4021.3079 20376.0762 14504.7134 231.9341 -203400.1485 2678.6019 0.0000 0.0000 52099.2850 -109488.2299 299.4153 -161587.5149 -109118.3952 299.5547 39.5082 61.8376 761383.6130 1.9638 1.9459 PRESSURE: 671800 -140.152 -25.938 -41.451 -25.9378 -200.909 67.8072 -41.4513 67.8071 -108.585 GPRESSURE: 671800 -114.257 -1.46724 33.7554 37.7306 -164.325 84.9104 116.393 31.4941 -75.1629 PRESSAVG: 671800 -21.078 -54.0475 51.7486 -54.0476 11.6151 23.886 51.7486 23.8861 -9.30038 GPRESSAVG: 671800 -19.7391 -50.7981 52.4183 -55.3613 10.6497 22.3103 52.304 26.8963 -9.52656 TIMING: 671800 CPU: 2113.92, 0.00313433/step Wall: 2113.92, 0.00313433/step, 3.76834 hours remaining, 232.179688 MB of memory in use. ENERGY: 671800 3944.9366 20539.2933 14474.4709 269.0624 -203122.0845 2506.3506 0.0000 0.0000 51929.7325 -109458.2382 298.4409 -161387.9707 -109103.9301 299.5557 -149.8820 -117.9151 761188.3104 -6.2544 -6.2053 PRESSURE: 672000 -100.539 -81.192 315.717 -81.1914 91.0448 -57.7833 315.717 -57.7826 -134.543 GPRESSURE: 672000 -136.136 -83.6663 298.009 -99.8337 127.794 -19.7696 342.731 -66.0365 -43.8896 PRESSAVG: 672000 -1.3686 -76.1497 14.9872 -76.1498 -46.6337 -17.7509 14.9871 -17.7508 14.482 GPRESSAVG: 672000 -1.50052 -78.8208 14.9644 -77.0448 -46.3158 -16.8492 14.4192 -17.4545 15.0028 TIMING: 672000 CPU: 2114.55, 0.00313676/step Wall: 2114.55, 0.00313676/step, 3.77108 hours remaining, 232.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 672000 4033.4735 20476.9452 14479.2568 225.1520 -203198.2057 2456.9373 0.0000 0.0000 51988.2381 -109538.2028 298.7771 -161526.4409 -109177.4912 299.3981 -48.0124 -17.4106 760776.6705 -11.1734 -10.9378 PRESSURE: 672200 10.5516 81.603 -11.214 81.6036 0.42352 -225.918 -11.2146 -225.918 -37.7533 GPRESSURE: 672200 76.352 51.4682 195.068 90.3522 -99.0282 -316.996 -45.9443 -95.3776 79.0206 PRESSAVG: 672200 18.725 13.4587 69.5378 13.4587 34.7444 20.9215 69.5379 20.9216 -5.40017 GPRESSAVG: 672200 18.1897 13.2762 69.5303 13.9784 34.4631 21.5859 70.5411 19.95 -4.4603 TIMING: 672200 CPU: 2115.17, 0.00313132/step Wall: 2115.17, 0.00313131/step, 3.76436 hours remaining, 232.179688 MB of memory in use. ENERGY: 672200 3958.8345 20579.1330 14467.6339 238.6652 -203327.0153 2463.6902 0.0000 0.0000 52077.5392 -109541.5193 299.2903 -161619.0585 -109181.1854 299.5812 -8.9261 18.7815 758404.1758 16.0231 16.0642 LDB: ============= START OF LOAD BALANCING ============== 2127.57 LDB: ============== END OF LOAD BALANCING =============== 2127.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2127.57 LDB: ============= START OF LOAD BALANCING ============== 2127.89 LDB: Largest compute 7078 load 0.030555 is 15.6% of average load 0.195841 LDB: Average compute 0.004366 is 2.2% of average load 0.195841 LDB: TIME 2127.89 LOAD: AVG 0.195841 MAX 0.217749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 2127.89 LOAD: AVG 0.195841 MAX 0.217749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 2127.89 LOAD: AVG 0.195841 MAX 0.217749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 2127.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2127.9 PRESSURE: 672400 7.18941 -56.1813 78.6118 -56.1805 -241.354 -26.6997 78.6122 -26.6998 -178.489 GPRESSURE: 672400 95.2264 118.831 35.5322 -200.641 -214.09 2.22624 80.3543 -147.525 -210.469 PRESSAVG: 672400 35.4618 -22.8164 5.98476 -22.8164 -71.1814 9.89791 5.98479 9.8979 -7.60446 GPRESSAVG: 672400 35.9569 -23.8087 5.48177 -23.5999 -71.339 9.04397 3.79399 9.82947 -8.75678 TIMING: 672400 CPU: 2115.81, 0.00320645/step Wall: 2115.81, 0.00320645/step, 3.85451 hours remaining, 233.093750 MB of memory in use. ENERGY: 672400 4054.7066 20622.1846 14439.2006 241.9714 -202915.8188 2225.0753 0.0000 0.0000 51987.2849 -109345.3954 298.7716 -161332.6803 -108991.4337 299.9572 -137.5511 -109.7777 759911.7151 -14.4414 -14.7130 PRESSURE: 672600 93.275 -31.9933 195.585 -31.9926 -308.49 -40.9578 195.585 -40.9578 -124.964 GPRESSURE: 672600 94.2308 12.6947 173.141 -35.8038 -314.986 -21.3344 131.895 -50.6668 -33.83 PRESSAVG: 672600 101.986 -25.9356 18.8809 -25.9356 -93.1662 -18.3602 18.8809 -18.3602 14.3204 GPRESSAVG: 672600 101.396 -23.5687 20.0503 -25.6969 -92.9098 -17.8821 20.6063 -19.215 14.8329 TIMING: 672600 CPU: 2116.44, 0.00312463/step Wall: 2116.44, 0.00312463/step, 3.75598 hours remaining, 233.367188 MB of memory in use. ENERGY: 672600 3960.6704 20469.5732 14485.2371 246.4426 -203486.3646 2543.4913 0.0000 0.0000 52320.6422 -109460.3078 300.6875 -161780.9500 -109093.9695 299.6505 -113.3928 -84.8618 759625.6367 7.7133 7.7729 PRESSURE: 672800 45.1355 157.15 -27.2394 157.149 40.6163 153.813 -27.2393 153.813 -189.768 GPRESSURE: 672800 99.1993 121.497 -139.442 172.418 50.9333 202.855 -73.1672 155.955 -170.158 PRESSAVG: 672800 35.4389 21.9037 -44.2085 21.9037 -27.3765 24.8537 -44.2086 24.8536 -15.5933 GPRESSAVG: 672800 35.8394 18.38 -46.2759 22.1258 -29.2773 24.1213 -44.3275 23.7119 -14.418 TIMING: 672800 CPU: 2117.07, 0.00312851/step Wall: 2117.07, 0.00312851/step, 3.76047 hours remaining, 233.367188 MB of memory in use. ENERGY: 672800 3941.0507 20397.2303 14524.9739 258.9483 -202726.1902 2144.0210 0.0000 0.0000 51748.9253 -109711.0406 297.4018 -161459.9660 -109347.4845 299.3596 -34.6719 -6.6751 761163.4160 -2.5103 -2.6186 PRESSURE: 673000 106.294 -242.491 -85.7531 -242.492 52.3056 -18.6391 -85.7535 -18.6393 -475.87 GPRESSURE: 673000 138.6 -182.786 -27.7694 -173.445 92.7548 -1.41795 -127.523 63.7658 -467.272 PRESSAVG: 673000 50.9706 -21.8813 -17.2401 -21.8813 -42.5719 -5.68406 -17.2401 -5.68406 13.015 GPRESSAVG: 673000 49.4519 -20.1658 -15.2854 -20.2097 -41.3504 -4.7356 -18.4277 -4.34294 13.1239 TIMING: 673000 CPU: 2117.69, 0.00313462/step Wall: 2117.69, 0.00313462/step, 3.76764 hours remaining, 233.367188 MB of memory in use. ENERGY: 673000 4016.8084 20630.7700 14414.6984 260.9002 -203459.3852 2652.7404 0.0000 0.0000 51828.6850 -109654.7830 297.8602 -161483.4679 -109297.7102 298.8159 -105.7570 -78.6391 760333.4951 7.1379 7.0751 PRESSURE: 673200 44.366 -173.473 -86.5386 -173.474 -57.0109 -169.236 -86.5388 -169.236 -342.288 GPRESSURE: 673200 76.9951 -260.612 -96.7808 -50.3422 0.522005 -109.68 -82.291 -6.97431 -344.133 PRESSAVG: 673200 66.5881 -55.1376 27.3293 -55.1376 -97.8645 37.6414 27.3293 37.6413 -15.315 GPRESSAVG: 673200 68.1028 -53.5223 25.4486 -55.6551 -98.6293 36.9078 28.9882 37.2387 -16.6662 TIMING: 673200 CPU: 2118.32, 0.00314247/step Wall: 2118.32, 0.00314247/step, 3.7769 hours remaining, 233.371094 MB of memory in use. ENERGY: 673200 4053.4928 20569.6174 14399.8615 237.6937 -203280.1334 2541.5675 0.0000 0.0000 51945.5215 -109532.3790 298.5316 -161477.9005 -109176.7098 299.0841 -118.3111 -88.8720 760965.1835 -15.5305 -15.7309 PRESSURE: 673400 -257.926 -194.905 31.6948 -194.904 132.815 13.2942 31.695 13.2948 -259.993 GPRESSURE: 673400 -202.394 -99.6542 -56.8406 -229.218 160.908 -82.6933 22.278 -29.8101 -267.521 PRESSAVG: 673400 -1.83847 -5.33352 35.4895 -5.3335 4.52737 5.31215 35.4895 5.31213 -6.19206 GPRESSAVG: 673400 -1.71741 -7.39468 37.2488 -5.44298 5.67143 4.65927 34.6958 6.07242 -6.96331 TIMING: 673400 CPU: 2118.95, 0.00312624/step Wall: 2118.95, 0.00312624/step, 3.75722 hours remaining, 233.371094 MB of memory in use. ENERGY: 673400 4035.1748 20453.6192 14413.2321 239.4489 -203317.0737 2468.4057 0.0000 0.0000 52127.4289 -109579.7641 299.5771 -161707.1930 -109208.0040 299.3699 -128.3681 -103.0022 761474.6271 -1.1677 -1.0031 PRESSURE: 673600 -18.1276 59.8238 -17.0828 59.8251 -153.81 207.652 -17.0835 207.652 199.025 GPRESSURE: 673600 54.6868 62.9075 -72.3529 165.001 -150.631 220.915 6.55494 34.8212 194.308 PRESSAVG: 673600 65.1822 6.72117 -6.62276 6.72111 -85.4207 -63.5835 -6.6227 -63.5834 -37.2687 GPRESSAVG: 673600 64.7447 7.79398 -7.40374 7.00304 -85.6163 -64.188 -7.34246 -63.6642 -36.5603 TIMING: 673600 CPU: 2119.57, 0.00313274/step Wall: 2119.57, 0.00313274/step, 3.76486 hours remaining, 233.371094 MB of memory in use. ENERGY: 673600 4030.9146 20312.2126 14447.5393 265.6566 -202769.9280 2305.9414 0.0000 0.0000 52016.8722 -109390.7912 298.9417 -161407.6634 -109024.7835 299.2367 9.0293 32.7881 761837.6299 -19.1691 -19.1440 PRESSURE: 673800 0.165831 21.6897 -293.352 21.6901 -270.036 -142.249 -293.352 -142.25 199.674 GPRESSURE: 673800 19.5081 -100.746 -311.388 20.773 -167.22 -46.2937 -263.008 -138.28 154.587 PRESSAVG: 673800 21.3037 11.6401 -42.707 11.64 14.2783 -23.0508 -42.707 -23.0508 19.8984 GPRESSAVG: 673800 20.7985 11.6105 -42.0587 11.3511 13.8132 -19.8804 -40.848 -24.4734 20.7361 TIMING: 673800 CPU: 2120.2, 0.00313717/step Wall: 2120.2, 0.00313717/step, 3.77 hours remaining, 233.371094 MB of memory in use. ENERGY: 673800 3999.7765 20435.3948 14498.7421 268.5493 -203096.5462 2374.7459 0.0000 0.0000 52141.6395 -109377.6982 299.6587 -161519.3376 -109017.6592 299.7420 -23.3986 2.2915 760111.8128 18.4934 18.4493 PRESSURE: 674000 -43.8751 -117.814 -138.261 -117.815 3.07239 46.5088 -138.261 46.5083 -77.5274 GPRESSURE: 674000 33.8909 -98.1691 -151.013 -116.848 33.7107 -10.83 -142.634 123.228 -88.7252 PRESSAVG: 674000 19.7321 -104.826 29.1196 -104.826 -65.0186 -24.5297 29.1197 -24.5297 2.29467 GPRESSAVG: 674000 19.0766 -105.574 29.7331 -104.713 -63.4572 -26.8168 27.359 -23.5741 0.910374 TIMING: 674000 CPU: 2120.83, 0.00312449/step Wall: 2120.83, 0.00312449/step, 3.75459 hours remaining, 233.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 674000 3975.4351 20451.5597 14467.2625 247.6997 -203212.6574 2559.5516 0.0000 0.0000 52074.5937 -109436.5551 299.2734 -161511.1488 -109073.5583 299.6636 -39.4434 -7.0412 761075.3172 -14.3306 -14.4901 PRESSURE: 674200 26.3169 -59.2657 -292.735 -59.2657 -30.4255 -102.353 -292.735 -102.352 250.691 GPRESSURE: 674200 53.8442 -88.4248 -308.023 -24.2357 17.6755 -151.552 -276.506 -112.392 276.74 PRESSAVG: 674200 38.6276 -55.0737 3.35282 -55.0737 -20.0546 9.55145 3.35285 9.55152 8.12485 GPRESSAVG: 674200 38.7028 -56.8342 1.20978 -55.1654 -20.4511 9.91121 4.73152 8.57206 8.18564 TIMING: 674200 CPU: 2121.45, 0.00312993/step Wall: 2121.45, 0.00312993/step, 3.76096 hours remaining, 233.371094 MB of memory in use. ENERGY: 674200 3965.2704 20489.7780 14451.8072 246.3591 -203370.2981 2817.7504 0.0000 0.0000 52028.4969 -109370.8360 299.0085 -161399.3329 -109008.7674 299.3814 82.1943 116.0865 760402.1360 8.8993 8.8124 PRESSURE: 674400 -54.7657 -64.8039 -134.321 -64.8047 111.733 139.375 -134.321 139.375 140.445 GPRESSURE: 674400 5.45437 20.166 -95.4362 -74.4421 85.8603 176.769 -227.629 -69.8188 177.353 PRESSAVG: 674400 -49.8194 -20.4622 15.4377 -20.4623 34.6671 -27.7838 15.4376 -27.7838 1.88243 GPRESSAVG: 674400 -49.8909 -19.9055 16.8311 -21.0947 33.8735 -27.6139 13.5358 -27.2946 2.72233 TIMING: 674400 CPU: 2122.08, 0.00313736/step Wall: 2122.08, 0.00313736/step, 3.76971 hours remaining, 233.371094 MB of memory in use. ENERGY: 674400 3943.8550 20534.6117 14454.3794 253.7105 -203138.7903 2454.2003 0.0000 0.0000 52221.7507 -109276.2827 300.1191 -161498.0334 -108911.3752 299.4079 65.8041 89.5559 761241.8579 -4.4233 -4.4317 PRESSURE: 674600 -390.765 25.4339 -11.5964 25.4343 -175.418 -6.9843 -11.5954 -6.98428 313.185 GPRESSURE: 674600 -389.816 5.77749 -18.2391 -116.877 -84.4942 -85.3447 -35.5735 70.4376 297.05 PRESSAVG: 674600 -68.5163 -110.576 -2.23439 -110.576 30.7258 -39.5219 -2.2344 -39.522 -25.6942 GPRESSAVG: 674600 -69.697 -108.571 -3.86848 -111.507 31.0092 -40.8858 -1.98082 -38.0646 -25.1942 TIMING: 674600 CPU: 2122.71, 0.00313685/step Wall: 2122.71, 0.00313685/step, 3.76892 hours remaining, 233.359375 MB of memory in use. ENERGY: 674600 3954.1857 20522.9736 14535.2946 243.9704 -203175.0062 2608.6351 0.0000 0.0000 52068.8381 -109241.1087 299.2403 -161309.9468 -108882.9379 299.4458 -84.3328 -59.0866 762126.2425 -21.1616 -21.2940 PRESSURE: 674800 31.0592 62.8248 247.218 62.8249 22.4739 52.7037 247.219 52.703 -151.056 GPRESSURE: 674800 135.472 -0.56316 307.617 7.5156 45.8141 47.4114 256.065 53.4788 -166.944 PRESSAVG: 674800 30.7468 -44.6136 13.329 -44.6136 -27.2484 -55.7146 13.329 -55.7146 10.3022 GPRESSAVG: 674800 30.7543 -45.0343 14.5154 -43.1011 -26.3713 -54.2645 13.8059 -57.1196 10.1512 TIMING: 674800 CPU: 2123.33, 0.00312513/step Wall: 2123.33, 0.00312513/step, 3.75467 hours remaining, 233.371094 MB of memory in use. ENERGY: 674800 4012.7968 20526.5227 14438.0133 243.1408 -203149.8560 2503.1981 0.0000 0.0000 52280.6935 -109145.4908 300.4579 -161426.1843 -108795.2027 299.7501 -32.5075 4.7806 761060.6150 4.6002 4.8448 PRESSURE: 675000 -209.795 158.893 258.03 158.894 -217.043 -16.6071 258.03 -16.608 -160.052 GPRESSURE: 675000 -188.356 155.521 289.329 129.594 -137.125 -0.641301 258.804 86.5581 -173.762 PRESSAVG: 675000 66.345 -92.8816 -8.1304 -92.8817 -60.9566 30.4588 -8.13035 30.4588 2.04913 GPRESSAVG: 675000 67.4279 -94.5389 -6.78277 -92.0542 -61.5368 30.9769 -10.3161 30.4675 1.7003 TIMING: 675000 CPU: 2123.95, 0.00311788/step Wall: 2123.95, 0.00311788/step, 3.74579 hours remaining, 233.371094 MB of memory in use. ENERGY: 675000 4056.5373 20447.5435 14473.6900 245.3401 -202696.2116 2243.5989 0.0000 0.0000 52295.2411 -108934.2608 300.5415 -161229.5019 -108566.7308 300.1039 -195.6298 -166.4140 760295.7130 2.4792 2.5305 PRESSURE: 675200 -32.0175 13.5424 -28.7103 13.5424 417.396 181.973 -28.7095 181.973 -204.66 GPRESSURE: 675200 42.2442 -18.7934 -64.191 -32.3788 441.729 123.422 -101.928 289.034 -199.165 PRESSAVG: 675200 25.6849 -70.528 50.4172 -70.528 -10.2002 23.9055 50.4172 23.9054 8.9607 GPRESSAVG: 675200 26.9242 -69.3619 48.7749 -72.2154 -10.8512 21.7141 52.6155 25.5621 8.58247 TIMING: 675200 CPU: 2124.58, 0.00312756/step Wall: 2124.58, 0.00312755/step, 3.75724 hours remaining, 233.371094 MB of memory in use. ENERGY: 675200 3984.1269 20684.5577 14519.6205 234.5563 -203329.1580 2788.4767 0.0000 0.0000 52148.3649 -108969.4549 299.6974 -161117.8198 -108624.7937 300.2463 60.2396 94.9359 760322.6438 8.1485 8.2185 PRESSURE: 675400 -95.7477 -161.772 -23.2135 -161.772 -378.143 63.1262 -23.2132 63.1252 -154.315 GPRESSURE: 675400 6.90552 -132.513 -67.8184 -168.293 -403.198 120.469 97.1898 -37.8975 -141.254 PRESSAVG: 675400 55.4735 -23.089 -8.62463 -23.0891 -61.3081 32.3193 -8.62458 32.3194 -2.89669 GPRESSAVG: 675400 54.8088 -22.52 -8.70391 -23.1277 -61.483 34.6961 -8.27979 32.6727 -1.94721 TIMING: 675400 CPU: 2125.21, 0.00313756/step Wall: 2125.21, 0.00313756/step, 3.76908 hours remaining, 233.371094 MB of memory in use. ENERGY: 675400 3989.4285 20614.3553 14536.8916 257.3975 -202745.4234 2138.5712 0.0000 0.0000 52319.9546 -108888.8247 300.6835 -161208.7794 -108525.2404 300.4519 -209.4019 -179.1819 759925.3393 -2.9104 -2.8738 PRESSURE: 675600 -3.1649 -187.61 370.107 -187.609 -368.311 -140.689 370.107 -140.69 228.314 GPRESSURE: 675600 -28.5489 -99.411 328.087 -217.505 -247.632 -115.435 353.994 -206.943 222.375 PRESSAVG: 675600 63.6118 12.0586 52.5447 12.0586 -36.7691 58.642 52.5446 58.642 6.82086 GPRESSAVG: 675600 63.3536 9.74044 52.4587 12.9119 -36.0949 57.733 51.9492 59.0672 5.89615 TIMING: 675600 CPU: 2125.83, 0.00312226/step Wall: 2125.83, 0.00312226/step, 3.75053 hours remaining, 233.371094 MB of memory in use. ENERGY: 675600 4030.9724 20496.6810 14467.2653 238.5661 -202629.6780 2097.9119 0.0000 0.0000 52390.8305 -108907.4507 301.0908 -161298.2812 -108554.2513 301.0894 -47.7207 -17.9351 760637.4044 11.2212 11.0516 PRESSURE: 675800 34.8351 69.164 -60.6704 69.1645 92.4837 123.626 -60.6699 123.626 -303.975 GPRESSURE: 675800 167.779 84.1613 25.9612 109.939 65.9912 106.823 -109.986 174.533 -313.672 PRESSAVG: 675800 -59.9662 8.55224 0.542881 8.55223 20.0273 47.2466 0.54288 47.2466 -3.15307 GPRESSAVG: 675800 -60.0117 10.4681 0.970957 7.83694 20.4185 48.8258 -0.469512 46.255 -2.9139 TIMING: 675800 CPU: 2126.46, 0.00314877/step Wall: 2126.46, 0.00314877/step, 3.78219 hours remaining, 233.371094 MB of memory in use. ENERGY: 675800 3996.6097 20544.3470 14478.5112 251.6128 -203074.3730 2603.5223 0.0000 0.0000 52171.0834 -109028.6865 299.8279 -161199.7700 -108654.6365 300.2876 -58.8855 -26.6341 760939.4203 -14.3640 -14.1690 PRESSURE: 676000 37.2103 -118.679 51.6835 -118.678 101.185 102.817 51.6829 102.817 -272.485 GPRESSURE: 676000 39.8809 -162.274 138.167 -65.269 180.864 19.7495 101.44 117.894 -280.86 PRESSAVG: 676000 13.572 -112.835 35.574 -112.835 -29.7742 7.72115 35.574 7.7211 9.67234 GPRESSAVG: 676000 13.0674 -112.34 35.6073 -113.295 -29.4915 5.41094 36.6228 8.08263 9.58523 TIMING: 676000 CPU: 2127.09, 0.00314157/step Wall: 2127.09, 0.00314157/step, 3.77337 hours remaining, 233.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 676000 4018.9527 20540.1912 14434.6414 251.2878 -203017.6311 2305.9465 0.0000 0.0000 52206.2190 -109260.3925 300.0299 -161466.6115 -108891.0050 299.8377 -44.6964 -20.0384 760513.5557 -2.1766 -2.2796 PRESSURE: 676200 -228.567 5.3597 80.7553 5.35955 -142.967 -143.092 80.7555 -143.091 49.2583 GPRESSURE: 676200 -200.464 -11.3144 106.265 69.6408 -97.4493 -149.087 114.173 -244.763 52.1678 PRESSAVG: 676200 -22.709 -36.7247 27.5269 -36.7248 65.5705 -15.7862 27.5269 -15.7862 -21.9723 GPRESSAVG: 676200 -21.4486 -37.3102 26.8699 -35.3966 65.8119 -13.9739 28.2027 -16.4432 -23.4993 TIMING: 676200 CPU: 2127.72, 0.00315462/step Wall: 2127.72, 0.00315462/step, 3.78888 hours remaining, 233.371094 MB of memory in use. ENERGY: 676200 4012.5088 20598.6803 14476.4264 241.9193 -203423.4040 2665.8468 0.0000 0.0000 52137.0853 -109290.9370 299.6325 -161428.0223 -108921.8102 299.8170 -107.4253 -81.9153 758714.6550 6.9631 6.9547 LDB: ============= START OF LOAD BALANCING ============== 2140.12 LDB: ============== END OF LOAD BALANCING =============== 2140.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2140.12 LDB: ============= START OF LOAD BALANCING ============== 2140.44 LDB: Largest compute 7078 load 0.031044 is 15.9% of average load 0.195831 LDB: Average compute 0.004376 is 2.2% of average load 0.195831 LDB: TIME 2140.44 LOAD: AVG 0.195831 MAX 0.215749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.668 MB LDB: TIME 2140.44 LOAD: AVG 0.195831 MAX 0.215749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.668 MB LDB: TIME 2140.44 LOAD: AVG 0.195831 MAX 0.215749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.668 MB LDB: ============== END OF LOAD BALANCING =============== 2140.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2140.45 PRESSURE: 676400 -231.579 79.5921 -18.4138 79.5914 -344.917 -111.253 -18.4127 -111.252 -531.496 GPRESSURE: 676400 -213.47 115.535 95.6109 22.856 -284.671 -33.8261 -174.259 -109.377 -523.489 PRESSAVG: 676400 -29.0397 -42.814 0.0417574 -42.814 53.8479 2.18406 0.041785 2.18418 3.7369 GPRESSAVG: 676400 -29.5511 -42.4254 -0.0933758 -43.0094 52.4132 0.208074 -1.37545 3.40297 5.25625 TIMING: 676400 CPU: 2128.36, 0.00321243/step Wall: 2128.36, 0.00321243/step, 3.85812 hours remaining, 233.960938 MB of memory in use. ENERGY: 676400 4064.9635 20681.9073 14501.6290 253.2436 -202593.0307 1931.9848 0.0000 0.0000 51867.3706 -109291.9320 298.0825 -161159.3026 -108926.7491 300.8378 -369.3307 -340.5432 761249.1621 9.5150 9.3728 PRESSURE: 676600 54.9696 -11.2908 -316.113 -11.2916 53.2514 -216.761 -316.113 -216.761 -109.843 GPRESSURE: 676600 152.425 52.4358 -255.531 -18.6109 59.644 -202.499 -180.892 -81.7384 -120.35 PRESSAVG: 676600 -47.9448 -29.521 -2.55451 -29.521 9.81202 43.7511 -2.55452 43.7512 7.43011 GPRESSAVG: 676600 -47.6182 -30.0634 -1.59031 -28.4247 9.81343 45.9981 -2.08495 41.7212 7.18294 TIMING: 676600 CPU: 2128.99, 0.0031448/step Wall: 2128.99, 0.00314481/step, 3.77674 hours remaining, 233.960938 MB of memory in use. ENERGY: 676600 3943.9533 20479.0838 14457.1396 254.3918 -203115.7149 2420.2890 0.0000 0.0000 52286.7453 -109274.1122 300.4926 -161560.8575 -108900.7878 300.0787 -0.5405 30.5730 760238.8819 -10.2342 -10.2073 PRESSURE: 676800 -257.778 -198.805 24.607 -198.805 -33.6351 14.3884 24.6053 14.388 307.978 GPRESSURE: 676800 -237.485 -299.361 -40.2812 -212.687 23.1812 -39.6312 80.4575 67.6765 322.528 PRESSAVG: 676800 -51.36 -31.2109 -8.70626 -31.2109 53.8213 -20.7823 -8.70633 -20.7822 -9.76999 GPRESSAVG: 676800 -51.5768 -30.85 -8.60472 -31.7114 54.331 -20.7234 -8.30181 -18.8822 -9.40333 TIMING: 676800 CPU: 2129.62, 0.00312517/step Wall: 2129.62, 0.00312517/step, 3.75298 hours remaining, 233.960938 MB of memory in use. ENERGY: 676800 4100.6816 20409.7124 14558.2042 254.7471 -202962.4080 2360.2497 0.0000 0.0000 51892.5808 -109386.2322 298.2274 -161278.8131 -109029.0070 299.4984 5.5214 36.0747 760966.1829 -2.4362 -2.2164 PRESSURE: 677000 -152.351 139.957 176.995 139.957 -137.876 -27.1115 176.995 -27.1118 -197.02 GPRESSURE: 677000 -139.826 170.011 155.821 116.885 -100.524 4.59815 36.1301 21.8971 -169.508 PRESSAVG: 677000 11.2537 -19.5052 21.1654 -19.5053 0.734075 3.19553 21.1654 3.19544 12.4499 GPRESSAVG: 677000 10.474 -19.8076 21.3659 -20.5726 0.98085 2.63476 20.6079 1.89672 12.0652 TIMING: 677000 CPU: 2130.25, 0.00313787/step Wall: 2130.25, 0.00313787/step, 3.76806 hours remaining, 233.960938 MB of memory in use. ENERGY: 677000 3911.2763 20542.5780 14422.5598 234.4803 -202931.7160 2450.0803 0.0000 0.0000 52161.0540 -109209.6873 299.7703 -161370.7413 -108847.4271 299.3620 -162.4157 -136.6193 762988.5798 8.1459 7.8400 PRESSURE: 677200 -68.2563 -90.8843 -5.48444 -90.8843 -181.093 301.978 -5.48577 301.978 51.687 GPRESSURE: 677200 -6.17526 -18.3031 0.724737 -77.5885 -128.105 221.66 -141.776 227.449 8.18831 PRESSAVG: 677200 -47.9262 -10.301 -7.50278 -10.301 27.8384 42.1684 -7.50287 42.1685 -14.517 GPRESSAVG: 677200 -47.9334 -10.2462 -7.72711 -10.7621 27.1934 42.9194 -9.14518 43.5502 -14.7592 TIMING: 677200 CPU: 2130.87, 0.00312597/step Wall: 2130.87, 0.00312596/step, 3.75359 hours remaining, 234.238281 MB of memory in use. ENERGY: 677200 3904.7438 20531.2133 14454.0069 239.1367 -203220.6633 2687.3926 0.0000 0.0000 52146.0400 -109258.1299 299.6840 -161404.1699 -108894.2946 299.7655 -65.8873 -42.0307 760299.0501 -11.5349 -11.8331 PRESSURE: 677400 -377.439 34.5534 -159.99 34.5528 39.2268 -18.1433 -159.991 -18.1447 99.3946 GPRESSURE: 677400 -353.595 101.878 -110.205 83.379 -4.88089 8.6619 -161.052 52.3155 198.903 PRESSAVG: 677400 22.3667 -12.2169 -7.80213 -12.2169 -46.5645 2.9183 -7.80211 2.91837 1.54676 GPRESSAVG: 677400 22.3261 -10.1462 -8.15216 -11.5961 -47.162 1.50902 -7.79049 3.31615 2.05983 TIMING: 677400 CPU: 2131.49, 0.00311675/step Wall: 2131.49, 0.00311675/step, 3.74235 hours remaining, 234.238281 MB of memory in use. ENERGY: 677400 3973.3995 20510.3977 14572.4626 259.0865 -202783.7235 2382.0998 0.0000 0.0000 51967.2576 -109119.0199 298.6565 -161086.2775 -108760.8462 300.0243 -79.6060 -53.1909 761081.9668 -7.5503 -7.5920 PRESSURE: 677600 -193.119 157.374 303.518 157.374 42.1749 -67.0513 303.519 -67.0518 284.587 GPRESSURE: 677600 -145.261 55.3519 175.324 57.4174 30.5797 -110.111 261.759 -104.554 317.146 PRESSAVG: 677600 13.8404 23.3119 0.322493 23.312 46.2567 4.861 0.322561 4.86102 -1.64289 GPRESSAVG: 677600 14.26 20.3823 -0.216449 24.6741 45.0355 5.26882 2.76597 3.4488 -0.918595 TIMING: 677600 CPU: 2132.12, 0.00312794/step Wall: 2132.12, 0.00312794/step, 3.75562 hours remaining, 234.238281 MB of memory in use. ENERGY: 677600 4144.2510 20529.7894 14470.8042 245.4781 -203428.7421 2590.4366 0.0000 0.0000 52241.8619 -109206.1209 300.2347 -161447.9828 -108836.2435 299.7156 44.5478 67.4880 758909.7263 19.4847 19.4590 PRESSURE: 677800 -383.66 -295.052 217.7 -295.052 -98.4497 85.5113 217.7 85.5119 -46.1026 GPRESSURE: 677800 -331.119 -188.407 321.812 -269.068 -31.4689 165.567 185.386 48.0393 -62.3414 PRESSAVG: 677800 16.2389 -24.6751 6.43245 -24.6751 -22.5577 32.6895 6.43244 32.6895 10.9053 GPRESSAVG: 677800 16.2159 -23.1572 6.93195 -26.9164 -21.8124 32.9405 5.81984 31.5081 9.85303 TIMING: 677800 CPU: 2132.75, 0.00314009/step Wall: 2132.75, 0.00314009/step, 3.77003 hours remaining, 234.238281 MB of memory in use. ENERGY: 677800 3978.2624 20498.7641 14473.0330 255.3425 -203164.3537 2608.2961 0.0000 0.0000 52102.3679 -109248.2876 299.4330 -161350.6556 -108873.8391 299.6351 -176.0708 -141.6430 762229.1018 1.5288 1.4189 PRESSURE: 678000 567.263 -187.104 -204.867 -187.105 -106.535 25.2938 -204.868 25.2938 -213.529 GPRESSURE: 678000 499.314 -184.101 -147.192 -87.552 -67.1684 -32.1859 -184.483 127.604 -123.811 PRESSAVG: 678000 1.42732 -10.3969 68.6019 -10.397 -0.390723 83.0407 68.6019 83.0407 -16.2948 GPRESSAVG: 678000 0.248661 -10.6843 68.7356 -8.89647 -0.385974 84.2632 67.5867 84.283 -15.4978 TIMING: 678000 CPU: 2133.38, 0.00314031/step Wall: 2133.38, 0.00314031/step, 3.77011 hours remaining, 234.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 678000 4066.4221 20448.0077 14383.3771 262.0247 -202881.7012 2531.4184 0.0000 0.0000 51778.2874 -109412.1640 297.5705 -161190.4514 -109053.2983 299.0765 82.3997 102.7782 762430.8836 -5.0861 -5.2117 PRESSURE: 678200 22.2222 0.495591 -12.5092 0.495795 -99.2987 124.629 -12.5091 124.629 573.664 GPRESSURE: 678200 67.4558 -25.8184 -44.5449 56.951 -105.662 15.7619 27.99 47.9875 619.102 PRESSAVG: 678200 15.2215 -54.1506 -8.93132 -54.1506 -33.7933 -32.0685 -8.93135 -32.0686 13.3427 GPRESSAVG: 678200 16.1344 -51.0076 -10.2504 -54.5799 -33.5235 -33.1172 -8.05009 -31.1395 12.0216 TIMING: 678200 CPU: 2134, 0.00313956/step Wall: 2134, 0.00313956/step, 3.76904 hours remaining, 234.238281 MB of memory in use. ENERGY: 678200 3895.3891 20503.7585 14498.7187 223.4908 -202828.2199 2387.7756 0.0000 0.0000 51773.3990 -109545.6883 297.5424 -161319.0872 -109194.6037 299.0132 165.5292 193.6320 760946.1768 -1.7430 -1.7891 PRESSURE: 678400 24.974 19.7222 -39.5105 19.7227 14.6658 62.0102 -39.5095 62.0115 113.679 GPRESSURE: 678400 1.4508 -55.6548 0.774931 19.1069 101.771 89.2969 5.77164 59.611 147.941 PRESSAVG: 678400 1.85926 -24.3434 -18.1767 -24.3433 -15.7989 -20.6529 -18.1767 -20.6529 -14.8077 GPRESSAVG: 678400 2.58494 -28.7112 -16.9732 -22.9183 -15.5297 -21.5032 -17.9652 -21.1591 -14.9685 TIMING: 678400 CPU: 2134.64, 0.00316553/step Wall: 2134.64, 0.00316553/step, 3.80004 hours remaining, 234.238281 MB of memory in use. ENERGY: 678400 4002.3474 20492.4405 14424.8793 276.0305 -203300.4256 2545.1090 0.0000 0.0000 51987.9900 -109571.6289 298.7757 -161559.6189 -109206.5413 299.1774 51.1064 83.7208 761029.3203 -9.5825 -9.3044 PRESSURE: 678600 137.305 -87.0247 8.19252 -87.0246 53.8887 -111.693 8.1919 -111.692 243.994 GPRESSURE: 678600 171.461 -174.02 -29.2165 -121.969 7.5501 -85.7438 195.391 -106.534 342.13 PRESSAVG: 678600 4.08887 -40.3801 37.545 -40.3802 20.3611 40.7723 37.545 40.7723 7.75291 GPRESSAVG: 678600 4.12559 -40.9082 37.5511 -40.9407 20.0791 41.0374 36.9572 39.2883 8.84501 TIMING: 678600 CPU: 2135.27, 0.00314602/step Wall: 2135.27, 0.00314602/step, 3.77644 hours remaining, 234.238281 MB of memory in use. ENERGY: 678600 3982.7154 20376.7200 14508.0665 242.8634 -203290.1136 2580.2523 0.0000 0.0000 51855.9973 -109743.4985 298.0171 -161599.4958 -109380.4069 298.9732 145.0624 173.7137 761507.8450 10.7343 11.0166 PRESSURE: 678800 -403.126 -62.2763 3.10907 -62.2763 -119.337 276.343 3.10918 276.343 275.268 GPRESSURE: 678800 -341.395 -49.6911 -56.7849 -67.3438 -81.3835 243.416 63.2344 394.165 246.806 PRESSAVG: 678800 -49.0774 -75.1036 1.87723 -75.1036 56.6397 20.3318 1.87724 20.3318 -24.6723 GPRESSAVG: 678800 -50.0855 -75.0353 1.60558 -74.1978 57.3004 21.6414 3.02818 21.4237 -24.5713 TIMING: 678800 CPU: 2135.89, 0.00312843/step Wall: 2135.89, 0.00312843/step, 3.75516 hours remaining, 234.238281 MB of memory in use. ENERGY: 678800 3907.6124 20457.5859 14422.2795 253.2199 -203299.4221 2440.6580 0.0000 0.0000 52060.4732 -109757.5933 299.1923 -161818.0664 -109395.4808 298.5425 -82.3985 -58.6576 761198.6244 -5.7034 -5.7855 PRESSURE: 679000 -20.3819 -130.51 71.8448 -130.51 -148.19 -99.7847 71.8457 -99.785 128.525 GPRESSURE: 679000 85.4097 -39.0846 110.057 -153.457 -153.403 -21.5911 49.4835 -130.911 94.0246 PRESSAVG: 679000 -67.3761 -41.6261 12.6443 -41.6261 68.9203 22.6156 12.6442 22.6156 2.02589 GPRESSAVG: 679000 -66.8097 -42.6904 14.0159 -41.1545 68.2802 22.1511 11.0491 21.9919 2.80327 TIMING: 679000 CPU: 2136.52, 0.00313894/step Wall: 2136.52, 0.00313894/step, 3.7676 hours remaining, 234.238281 MB of memory in use. ENERGY: 679000 3958.8795 20437.7931 14413.6410 254.6938 -202912.2625 2071.4411 0.0000 0.0000 51960.0764 -109815.7375 298.6153 -161775.8139 -109457.7479 298.4842 -13.3492 8.6771 759576.2396 1.1900 1.4246 PRESSURE: 679200 192.894 78.4095 48.0483 78.4097 33.8859 -115.634 48.0483 -115.633 101.775 GPRESSURE: 679200 259.469 189.983 9.10957 -8.33468 -5.58772 -134.286 118.595 -71.7779 174.49 PRESSAVG: 679200 -39.5467 -4.49334 -22.8904 -4.49334 41.9655 -22.595 -22.8905 -22.5949 -9.77145 GPRESSAVG: 679200 -39.2208 -3.67 -23.9801 -7.19126 41.8762 -23.3182 -23.5818 -20.723 -9.93161 TIMING: 679200 CPU: 2137.15, 0.00314774/step Wall: 2137.15, 0.00314774/step, 3.77799 hours remaining, 234.238281 MB of memory in use. ENERGY: 679200 4006.9388 20424.8645 14475.1052 224.9910 -203851.9778 2935.7951 0.0000 0.0000 51980.4023 -109803.8808 298.7321 -161784.2831 -109450.7404 298.6766 109.5182 142.7902 758908.5745 -2.4509 -2.4254 PRESSURE: 679400 8.98965 -290.875 -104.851 -290.875 303.524 -101.83 -104.851 -101.829 -0.622933 GPRESSURE: 679400 111.246 -225.998 -114.799 -137.814 291.737 -170.115 -2.42127 -2.3209 15.5163 PRESSAVG: 679400 -37.9323 -61.3788 -23.3293 -61.3787 42.2434 20.9076 -23.3294 20.9076 10.9591 GPRESSAVG: 679400 -39.1827 -59.8907 -22.4199 -60.5335 43.8456 23.7337 -22.3297 18.6153 10.9649 TIMING: 679400 CPU: 2137.78, 0.00316802/step Wall: 2137.78, 0.00316802/step, 3.80215 hours remaining, 234.238281 MB of memory in use. ENERGY: 679400 4016.6046 20464.6536 14490.5924 245.6575 -203226.6911 2461.7814 0.0000 0.0000 51563.8448 -109983.5568 296.3381 -161547.4016 -109632.0044 298.1946 103.9637 139.4998 760745.1640 5.0901 5.2092 PRESSURE: 679600 62.3666 -19.5087 171.68 -19.5085 -218.343 161.821 171.68 161.821 168.024 GPRESSURE: 679600 119.274 47.5822 133.785 4.55144 -209.275 111.335 223.08 271.576 179.416 PRESSAVG: 679600 3.10219 -75.4996 -31.6994 -75.4995 -10.5799 22.2773 -31.6994 22.2773 -20.8841 GPRESSAVG: 679600 3.19968 -77.0051 -32.4803 -74.6632 -11.0039 21.1008 -31.1437 22.3261 -20.3918 TIMING: 679600 CPU: 2138.42, 0.00318621/step Wall: 2138.42, 0.00318621/step, 3.8238 hours remaining, 234.238281 MB of memory in use. ENERGY: 679600 4007.0773 20411.1160 14488.9211 246.9127 -203445.3957 2421.6379 0.0000 0.0000 52040.0921 -109829.6386 299.0751 -161869.7307 -109465.8392 298.1534 4.0158 29.8050 759438.1011 -9.4539 -9.3987 PRESSURE: 679800 252.417 -77.1757 -23.8156 -77.1759 159.123 -77.1763 -23.8155 -77.1778 -4.32133 GPRESSURE: 679800 312.316 -24.347 -53.0132 -5.03988 57.7552 -22.4891 -129.964 -3.01465 125.379 PRESSAVG: 679800 32.7012 -30.9824 58.245 -30.9824 -66.9189 43.776 58.2449 43.776 18.7686 GPRESSAVG: 679800 33.7186 -30.3226 59.2735 -32.3149 -67.8837 43.324 58.4725 45.4888 18.3679 TIMING: 679800 CPU: 2139.05, 0.00313882/step Wall: 2139.05, 0.00313882/step, 3.76676 hours remaining, 234.238281 MB of memory in use. ENERGY: 679800 3980.6596 20577.3545 14433.3441 243.5614 -203314.9067 2309.5421 0.0000 0.0000 52035.3164 -109735.1286 299.0477 -161770.4450 -109384.8886 298.6899 135.7396 165.1503 759786.4524 -5.1497 -5.2658 PRESSURE: 680000 -25.7972 -62.1901 -37.6037 -62.19 242.281 -75.333 -37.604 -75.3327 106.606 GPRESSURE: 680000 46.0842 -98.0725 12.6202 -154.599 177.788 -88.0975 18.3051 -32.2334 186.843 PRESSAVG: 680000 -17.3038 -58.4256 -1.75008 -58.4255 5.2136 -33.5465 -1.75009 -33.5465 -3.63693 GPRESSAVG: 680000 -18.1078 -58.2784 -2.41411 -58.193 6.66839 -33.9492 -2.86839 -32.9575 -4.30785 TIMING: 680000 CPU: 2139.67, 0.00313439/step Wall: 2139.67, 0.00313439/step, 3.76127 hours remaining, 234.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 680000 4000.8426 20538.7929 14541.9969 247.5348 -203420.4725 2359.3161 0.0000 0.0000 52225.1249 -109506.8642 300.1385 -161731.9891 -109157.1102 299.1273 107.6963 136.9051 759707.7872 -5.2424 -5.2491 PRESSURE: 680200 150.557 -30.4239 0.944855 -30.4246 142.835 -172.016 0.94422 -172.015 350.133 GPRESSURE: 680200 234.072 -65.4741 -45.6518 67.1134 174.622 -189.049 -25.7534 -19.3519 314.078 PRESSAVG: 680200 -32.1641 -12.9972 -28.9627 -12.9971 -11.1519 -15.2999 -28.9627 -15.3 1.04097 GPRESSAVG: 680200 -31.7211 -13.2127 -28.9828 -12.3725 -13.2071 -13.6133 -28.763 -18.4505 2.89521 TIMING: 680200 CPU: 2140.31, 0.00316986/step Wall: 2140.31, 0.00316986/step, 3.80366 hours remaining, 234.238281 MB of memory in use. ENERGY: 680200 3990.3891 20499.0897 14419.2245 248.5812 -203745.4193 2788.0023 0.0000 0.0000 52156.1486 -109643.9839 299.7421 -161800.1324 -109278.1974 299.2246 214.5083 240.9240 758734.4122 -14.0917 -14.0110 LDB: ============= START OF LOAD BALANCING ============== 2152.71 LDB: ============== END OF LOAD BALANCING =============== 2152.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2152.71 LDB: ============= START OF LOAD BALANCING ============== 2153.03 LDB: Largest compute 7078 load 0.032112 is 16.4% of average load 0.195851 LDB: Average compute 0.004368 is 2.2% of average load 0.195851 LDB: TIME 2153.03 LOAD: AVG 0.195851 MAX 0.215199 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.227 MB LDB: TIME 2153.03 LOAD: AVG 0.195851 MAX 0.215199 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: TIME 2153.03 LOAD: AVG 0.195851 MAX 0.215199 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: ============== END OF LOAD BALANCING =============== 2153.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2153.04 PRESSURE: 680400 -278.073 146.855 -27.5008 146.855 102.707 -155.096 -27.5004 -155.096 -32.4777 GPRESSURE: 680400 -315.394 178.161 -22.0163 -54.9556 207.108 -156.746 -146.22 -138.491 -13.5687 PRESSAVG: 680400 -56.008 -7.68701 8.75185 -7.68696 68.5876 -3.20765 8.75178 -3.20772 0.111588 GPRESSAVG: 680400 -57.2008 -7.96319 8.08855 -10.8094 70.3895 -4.47217 8.68051 -0.860119 -0.745998 TIMING: 680400 CPU: 2140.95, 0.00322849/step Wall: 2140.95, 0.00322849/step, 3.87383 hours remaining, 233.902344 MB of memory in use. ENERGY: 680400 3978.4744 20598.0294 14452.4306 231.1758 -203510.8533 2662.9198 0.0000 0.0000 52199.7932 -109388.0301 299.9929 -161587.8233 -109025.7839 299.0653 -69.2812 -40.6181 761234.4504 4.2304 4.1476 PRESSURE: 680600 109.557 95.7571 155.644 95.7572 47.9029 -76.0126 155.644 -76.013 151.109 GPRESSURE: 680600 260.467 115.466 125.123 28.3342 10.6255 -160.475 139.508 -86.4513 118.926 PRESSAVG: 680600 34.9616 -41.1885 -27.2988 -41.1885 18.8756 -55.035 -27.2987 -55.035 -3.77539 GPRESSAVG: 680600 36.2992 -41.4044 -26.9788 -37.9671 18.1998 -55.0794 -26.9298 -56.2405 -4.46075 TIMING: 680600 CPU: 2141.58, 0.00313524/step Wall: 2141.58, 0.00313524/step, 3.76177 hours remaining, 234.199219 MB of memory in use. ENERGY: 680600 3932.6761 20387.8428 14418.7452 252.8327 -202907.5746 2282.3443 0.0000 0.0000 52152.8677 -109480.2658 299.7232 -161633.1335 -109111.9003 299.7586 102.8563 130.0060 761241.6503 16.6873 16.6794 PRESSURE: 680800 -158.236 -132.427 150.045 -132.427 -85.2379 -124.919 150.045 -124.919 -450.395 GPRESSURE: 680800 -89.5585 -117.218 142.711 -54.6495 -136.928 -129.471 185.275 -75.8477 -374.724 PRESSAVG: 680800 52.3126 -13.9761 16.7651 -13.9761 -117.5 3.10986 16.7651 3.1098 -6.07528 GPRESSAVG: 680800 52.6301 -13.5994 17.8434 -13.9528 -117.963 4.82563 17.9996 3.42997 -5.52724 TIMING: 680800 CPU: 2142.21, 0.00313833/step Wall: 2142.21, 0.00313833/step, 3.7653 hours remaining, 234.199219 MB of memory in use. ENERGY: 680800 4012.4398 20535.0645 14419.7403 259.0558 -203211.8623 2307.5661 0.0000 0.0000 52098.5474 -109579.4484 299.4111 -161677.9958 -109220.2482 299.2973 -231.2898 -200.4036 761924.5630 -23.7542 -23.6202 PRESSURE: 681000 109.308 -24.8984 18.4167 -24.8995 -391.104 -217.789 18.4173 -217.787 -81.6137 GPRESSURE: 681000 65.3943 15.3884 -15.635 -93.517 -315.415 -129.146 -124.801 -133.055 -17.3433 PRESSAVG: 681000 81.4321 -16.4475 -31.1391 -16.4476 -58.964 -23.2929 -31.1391 -23.293 21.5117 GPRESSAVG: 681000 79.9432 -15.8583 -31.8009 -17.9499 -57.2637 -23.6075 -32.135 -24.1993 21.4769 TIMING: 681000 CPU: 2142.83, 0.00311973/step Wall: 2142.83, 0.00311973/step, 3.74281 hours remaining, 234.402344 MB of memory in use. ENERGY: 681000 3987.9480 20491.5583 14454.8828 264.7918 -203190.5219 2361.9661 0.0000 0.0000 52102.0154 -109527.3596 299.4310 -161629.3750 -109172.3288 299.3818 -121.1367 -89.1214 760033.8187 14.6599 14.7188 PRESSURE: 681200 -137.17 89.7475 -111.373 89.747 -218.944 -190.287 -111.372 -190.287 292.111 GPRESSURE: 681200 -176.531 58.0803 -103.668 95.6953 -68.4585 -199.157 -26.3598 -97.2508 261.771 PRESSAVG: 681200 3.60774 -20.3312 -44.5366 -20.3313 -16.4778 -12.8886 -44.5366 -12.8886 -0.371804 GPRESSAVG: 681200 3.94515 -19.8508 -44.5051 -20.2726 -16.3872 -12.0755 -43.8439 -9.53558 -0.472917 TIMING: 681200 CPU: 2143.46, 0.00312576/step Wall: 2143.46, 0.00312576/step, 3.74987 hours remaining, 234.402344 MB of memory in use. ENERGY: 681200 3948.6806 20586.3464 14405.8572 246.2836 -203040.4127 2345.3927 0.0000 0.0000 52106.4087 -109401.4437 299.4562 -161507.8523 -109037.4213 299.8852 -21.3345 5.5939 762556.1910 -4.4139 -4.3050 PRESSURE: 681400 512.392 -89.5001 -18.5379 -89.5003 -127.774 36.7247 -18.5381 36.724 333.457 GPRESSURE: 681400 443.393 -136.302 27.801 13.7275 33.6234 51.2092 -51.5314 4.91039 322.725 PRESSAVG: 681400 45.4296 -19.0546 -16.6835 -19.0546 -32.786 -22.2998 -16.6835 -22.2998 -14.3517 GPRESSAVG: 681400 45.8799 -18.771 -16.4256 -21.0873 -32.9714 -23.862 -15.2336 -23.5079 -13.9853 TIMING: 681400 CPU: 2144.08, 0.00313244/step Wall: 2144.08, 0.00313244/step, 3.75771 hours remaining, 234.402344 MB of memory in use. ENERGY: 681400 4078.6170 20532.6610 14424.9625 241.5745 -203447.6073 2581.6466 0.0000 0.0000 52177.7275 -109410.4180 299.8661 -161588.1456 -109038.7588 299.4889 239.3583 266.5806 761510.6914 -0.5694 -0.3589 PRESSURE: 681600 181.421 3.02176 6.41417 3.02237 -219.402 176.382 6.41479 176.381 388.083 GPRESSURE: 681600 201.24 -67.7332 -93.6247 54.8117 -117.499 69.4437 -62.3808 52.5303 372.204 PRESSAVG: 681600 62.4049 3.26259 -23.7742 3.26257 -34.0805 25.3822 -23.7741 25.3821 -5.91841 GPRESSAVG: 681600 61.6518 1.06631 -24.1618 5.18782 -33.2646 23.9021 -24.3856 24.5548 -6.403 TIMING: 681600 CPU: 2144.71, 0.003129/step Wall: 2144.71, 0.003129/step, 3.75341 hours remaining, 234.402344 MB of memory in use. ENERGY: 681600 4032.5001 20708.3317 14399.9650 239.7369 -203649.0307 2500.9223 0.0000 0.0000 52349.3674 -109418.2073 300.8525 -161767.5746 -109056.0180 299.8032 116.7003 151.9816 760467.6544 7.4687 7.3281 PRESSURE: 681800 -312.447 48.243 126.121 48.2431 -32.4973 -146.563 126.122 -146.563 175.738 GPRESSURE: 681800 -158.729 89.0993 173.129 1.52124 -125.196 -172.413 167.343 -63.6108 187.828 PRESSAVG: 681800 -3.96856 -63.1739 -43.0597 -63.174 -5.1014 -50.0485 -43.0596 -50.0485 4.90591 GPRESSAVG: 681800 -4.38918 -61.5709 -40.5307 -62.5653 -6.18902 -48.5092 -46.0122 -50.355 6.94671 TIMING: 681800 CPU: 2145.33, 0.00311796/step Wall: 2145.33, 0.00311796/step, 3.73999 hours remaining, 234.402344 MB of memory in use. ENERGY: 681800 3976.0183 20616.1642 14427.9536 236.8276 -203331.4763 2327.4460 0.0000 0.0000 51904.8153 -109842.2515 298.2977 -161747.0668 -109479.7619 299.4286 -56.4024 -32.0324 760729.7321 -1.3880 -1.2105 PRESSURE: 682000 -41.5734 -68.2757 -188.283 -68.2759 329.771 -129.353 -188.282 -129.352 365.419 GPRESSURE: 682000 37.9806 -102.689 -125.212 -71.767 363.653 -185.728 -121.235 -77.3978 349.508 PRESSAVG: 682000 15.4507 -24.129 -16.8678 -24.1291 -20.7732 -69.0926 -16.8678 -69.0926 1.71354 GPRESSAVG: 682000 16.12 -23.1587 -16.9831 -23.5278 -20.1345 -70.4284 -15.1221 -70.3716 0.653023 TIMING: 682000 CPU: 2145.96, 0.00311669/step Wall: 2145.96, 0.00311669/step, 3.7383 hours remaining, 234.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 682000 4065.4492 20502.1732 14505.4669 246.0652 -203815.6536 2822.5623 0.0000 0.0000 51875.8552 -109798.0816 298.1313 -161673.9368 -109432.6725 298.8485 217.8723 250.3807 760240.0508 -1.2030 -1.1205 PRESSURE: 682200 30.5163 21.7368 -87.5728 21.7374 209.341 165.89 -87.5728 165.89 -164.894 GPRESSURE: 682200 104.917 -24.6585 -133.333 -155.056 204.78 129.992 -122.686 167.029 -128.867 PRESSAVG: 682200 6.27113 -13.2248 -37.751 -13.2248 -31.388 3.40055 -37.7511 3.40057 -0.325557 GPRESSAVG: 682200 6.73223 -16.8767 -38.8994 -14.1848 -31.669 3.99779 -37.6833 3.27361 -0.353137 TIMING: 682200 CPU: 2146.58, 0.0031143/step Wall: 2146.58, 0.0031143/step, 3.73526 hours remaining, 234.402344 MB of memory in use. ENERGY: 682200 4036.8557 20480.9735 14448.8821 248.8969 -203483.9161 2502.0093 0.0000 0.0000 51938.6658 -109827.6328 298.4922 -161766.2986 -109456.6153 298.4001 24.9879 60.2767 760125.3118 -8.4808 -8.4300 PRESSURE: 682400 -283.329 11.0801 -133.278 11.0794 -26.8081 117.933 -133.278 117.933 269.527 GPRESSURE: 682400 -266.322 -34.0946 -130.817 -65.3198 76.9692 119.947 -218.54 77.4348 219.975 PRESSAVG: 682400 8.94504 21.6882 -32.2059 21.6882 -2.41426 40.8044 -32.2059 40.8045 4.68766 GPRESSAVG: 682400 9.11907 23.7886 -31.5519 20.4886 -3.08322 41.9078 -32.7368 43.024 4.83334 TIMING: 682400 CPU: 2147.21, 0.00315166/step Wall: 2147.21, 0.00315165/step, 3.77988 hours remaining, 234.402344 MB of memory in use. ENERGY: 682400 3949.0102 20595.7284 14484.2327 240.4379 -204104.1864 2818.8003 0.0000 0.0000 51986.6766 -110029.3002 298.7681 -162015.9768 -109660.2882 297.9263 -13.5364 10.2074 760041.5824 3.7395 3.6231 PRESSURE: 682600 41.9099 -85.8741 -14.7618 -85.8734 -72.3169 48.1255 -14.7623 48.1261 -63.9788 GPRESSURE: 682600 67.7332 -16.6689 15.7341 -98.3682 -35.6535 112.751 -136.759 0.681604 -24.2433 PRESSAVG: 682600 -75.192 -14.1868 10.0247 -14.1868 49.8343 50.751 10.0246 50.751 -8.41992 GPRESSAVG: 682600 -76.3644 -13.0169 8.21685 -12.82 51.8728 49.2839 9.92032 49.0085 -10.0575 TIMING: 682600 CPU: 2147.84, 0.00312685/step Wall: 2147.84, 0.00312685/step, 3.74996 hours remaining, 234.402344 MB of memory in use. ENERGY: 682600 4060.4774 20237.2361 14436.0619 256.8592 -203196.4854 2492.2704 0.0000 0.0000 51980.2145 -109733.3658 298.7310 -161713.5803 -109374.3049 298.8334 -31.4620 2.6122 760731.8338 -11.2592 -11.5164 PRESSURE: 682800 -11.8205 158.659 -42.898 158.658 -58.6373 88.4718 -42.8988 88.4719 155.49 GPRESSURE: 682800 41.5456 117.921 -99.4568 250.952 -39.052 56.7709 111.304 -23.3409 154.314 PRESSAVG: 682800 25.4973 20.041 -44.0645 20.0409 -24.9499 -23.9514 -44.0645 -23.9513 -35.0811 GPRESSAVG: 682800 26.2924 18.5679 -42.9592 20.0309 -26.4524 -24.502 -43.6041 -23.7505 -34.3613 TIMING: 682800 CPU: 2148.46, 0.00312332/step Wall: 2148.46, 0.00312332/step, 3.74556 hours remaining, 234.437500 MB of memory in use. ENERGY: 682800 3962.0274 20445.7715 14508.3611 248.8286 -203466.0639 2542.5608 0.0000 0.0000 51792.7253 -109965.7892 297.6535 -161758.5145 -109603.8728 298.3912 28.3439 52.2694 757784.6642 -11.5112 -11.5071 PRESSURE: 683000 -191.761 -70.0529 82.8668 -70.0529 23.8309 59.6413 82.8667 59.6398 -58.787 GPRESSURE: 683000 -135.404 -117.917 84.4627 -27.3922 98.9457 38.8123 60.6498 178.961 -93.0419 PRESSAVG: 683000 -20.8776 15.897 -56.1793 15.897 36.5883 -56.1438 -56.1794 -56.1438 9.28514 GPRESSAVG: 683000 -20.063 16.177 -56.2585 16.1497 35.679 -56.6949 -54.2651 -56.3013 8.49873 TIMING: 683000 CPU: 2149.09, 0.00313804/step Wall: 2149.09, 0.00313804/step, 3.76304 hours remaining, 234.437500 MB of memory in use. ENERGY: 683000 4049.9318 20637.0850 14422.7336 249.8040 -203924.3382 2687.8047 0.0000 0.0000 52041.5908 -109835.3883 299.0837 -161876.9791 -109471.9535 299.1097 -75.5723 -43.1668 757909.7024 8.3319 8.0383 PRESSURE: 683200 -64.4949 -21.4069 -46.3635 -21.4068 98.0627 47.1727 -46.363 47.1725 -201.906 GPRESSURE: 683200 -29.2917 -88.5628 -31.9294 130.188 93.2039 63.9053 -135.112 48.6885 -162.884 PRESSAVG: 683200 -53.4306 -17.9162 6.50059 -17.9163 52.0543 -38.0848 6.50066 -38.0848 -14.2781 GPRESSAVG: 683200 -54.4906 -17.4728 8.39474 -17.5576 53.5694 -35.9305 5.16933 -38.1443 -14.9138 TIMING: 683200 CPU: 2149.71, 0.00313037/step Wall: 2149.71, 0.00313037/step, 3.75366 hours remaining, 234.437500 MB of memory in use. ENERGY: 683200 4040.9971 20706.0146 14432.6338 235.7187 -203685.3165 2647.5492 0.0000 0.0000 51572.9831 -110049.4201 296.3906 -161622.4032 -109699.0699 298.9719 -56.1127 -32.9907 760246.8463 -5.2182 -5.2784 PRESSURE: 683400 -322.315 78.4079 72.5129 78.4074 -21.8964 -68.3196 72.513 -68.319 466.749 GPRESSURE: 683400 -276.546 -73.3862 -3.4434 -5.48917 -2.1626 -0.369589 144.729 -93.4502 472.27 PRESSAVG: 683400 -25.5026 -18.7434 22.691 -18.7434 49.441 -25.8671 22.691 -25.8671 7.46832 GPRESSAVG: 683400 -26.5539 -19.2507 21.9748 -20.5184 48.4741 -26.9458 21.7746 -24.7033 9.73549 TIMING: 683400 CPU: 2150.34, 0.00311801/step Wall: 2150.34, 0.00311801/step, 3.73867 hours remaining, 234.437500 MB of memory in use. ENERGY: 683400 3931.2711 20434.2501 14514.9466 254.5598 -203718.3668 2535.7792 0.0000 0.0000 51897.7455 -110149.8145 298.2571 -162047.5600 -109784.8407 298.1110 40.8460 64.5206 760920.4719 10.4689 10.5519 PRESSURE: 683600 -51.5243 -280.181 53.8628 -280.181 -158.754 138.994 53.8634 138.994 72.1787 GPRESSURE: 683600 -32.5252 -346.759 57.5803 -244.539 -24.7698 26.6313 89.8771 41.2353 -9.98628 PRESSAVG: 683600 -20.8773 -25.6892 36.8247 -25.6892 20.4625 -73.046 36.8246 -73.046 21.9199 GPRESSAVG: 683600 -19.629 -27.5922 35.5195 -24.3905 20.598 -71.772 37.6654 -73.152 20.7135 TIMING: 683600 CPU: 2150.96, 0.00311499/step Wall: 2150.96, 0.00311499/step, 3.73488 hours remaining, 234.437500 MB of memory in use. ENERGY: 683600 3960.6765 20449.7063 14498.7270 245.8318 -203525.6542 2221.1900 0.0000 0.0000 51847.2167 -110302.3057 297.9667 -162149.5224 -109929.5172 298.1248 -46.0332 -22.4271 758637.6502 7.1684 7.2275 PRESSURE: 683800 13.53 -97.8421 -276.208 -97.8409 -426.756 126.831 -276.209 126.831 -38.5135 GPRESSURE: 683800 23.7138 -176.122 -233.792 -77.8717 -399.55 145.309 -191.776 38.7386 28.0472 PRESSAVG: 683800 22.1156 -49.7336 26.3506 -49.7336 -32.8957 -59.2785 26.3506 -59.2785 -25.0661 GPRESSAVG: 683800 22.8991 -47.279 27.5733 -49.401 -32.693 -57.7731 25.2094 -61.5374 -26.2066 TIMING: 683800 CPU: 2151.59, 0.00314512/step Wall: 2151.59, 0.00314512/step, 3.77082 hours remaining, 234.437500 MB of memory in use. ENERGY: 683800 4106.8023 20632.2062 14413.9793 231.9648 -203864.4179 2430.3595 0.0000 0.0000 51939.3578 -110109.7479 298.4962 -162049.1057 -109749.2239 297.5607 -150.5799 -115.9295 758764.6154 -11.9487 -12.0002 PRESSURE: 684000 8.73666 -11.1786 152.935 -11.1789 -327.249 -310.915 152.934 -310.915 -240.12 GPRESSURE: 684000 2.31689 61.0464 191.895 -42.8562 -277.816 -309.858 93.6475 -272.45 -184.905 PRESSAVG: 684000 -33.3808 -48.9215 4.2212 -48.9215 -11.9942 -68.7022 4.22115 -68.7022 6.52333 GPRESSAVG: 684000 -33.5552 -47.5512 3.01874 -50.3523 -12.2062 -70.7247 6.28531 -67.445 6.98573 TIMING: 684000 CPU: 2152.22, 0.00316352/step Wall: 2152.22, 0.00316352/step, 3.79271 hours remaining, 234.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 684000 4088.7149 20566.8570 14382.9435 235.4716 -203721.8306 2314.6686 0.0000 0.0000 52075.3541 -110057.8208 299.2778 -162133.1750 -109685.8265 298.4360 -186.2108 -153.4677 760258.1253 -12.9506 -12.9252 PRESSURE: 684200 -496.331 -239.818 40.0821 -239.818 142.294 200.709 40.0823 200.709 62.4707 GPRESSURE: 684200 -536.396 -195.157 9.34248 -318.236 156.322 130.566 137.763 99.9877 178.086 PRESSAVG: 684200 -63.7703 -56.8085 85.094 -56.8086 34.3285 -23.5387 85.094 -23.5387 31.4249 GPRESSAVG: 684200 -63.464 -57.7016 83.9507 -55.7042 32.3428 -23.4556 84.465 -24.8748 32.7415 TIMING: 684200 CPU: 2152.85, 0.00314534/step Wall: 2152.85, 0.00314534/step, 3.77074 hours remaining, 234.437500 MB of memory in use. ENERGY: 684200 4051.6982 20470.5812 14504.1967 248.3258 -203817.3594 2691.0350 0.0000 0.0000 52049.1810 -109802.3415 299.1274 -161851.5225 -109438.1594 299.4819 -97.1887 -67.3291 758760.4144 0.6610 0.5401 LDB: ============= START OF LOAD BALANCING ============== 2165.25 LDB: ============== END OF LOAD BALANCING =============== 2165.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2165.25 LDB: ============= START OF LOAD BALANCING ============== 2165.57 LDB: Largest compute 7034 load 0.031550 is 16.1% of average load 0.195853 LDB: Average compute 0.004403 is 2.2% of average load 0.195853 LDB: TIME 2165.57 LOAD: AVG 0.195853 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.219 MB LDB: TIME 2165.57 LOAD: AVG 0.195853 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.312 MB LDB: TIME 2165.57 LOAD: AVG 0.195853 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.312 MB LDB: ============== END OF LOAD BALANCING =============== 2165.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2165.58 PRESSURE: 684400 214.544 143.249 -13.5992 143.249 -65.3281 126.644 -13.5988 126.644 -113.142 GPRESSURE: 684400 238.86 120.868 -50.9881 105.231 -28.4944 147.423 -12.5282 116.428 -99.3017 PRESSAVG: 684400 -26.9604 -98.9327 -14.9632 -98.9327 -3.57164 -34.3775 -14.9632 -34.3775 13.4324 GPRESSAVG: 684400 -28.113 -99.7464 -14.4111 -97.5667 -2.85952 -34.3568 -15.3506 -32.0263 13.7294 TIMING: 684400 CPU: 2153.49, 0.0032171/step Wall: 2153.49, 0.0032171/step, 3.85658 hours remaining, 234.023438 MB of memory in use. ENERGY: 684400 4005.2294 20656.2237 14468.1076 238.8681 -204222.3985 2601.8544 0.0000 0.0000 52208.8455 -110043.2699 300.0450 -162252.1154 -109680.9683 299.1615 12.0246 37.0214 757864.2749 -5.6999 -5.7477 PRESSURE: 684600 133.449 9.52022 188.223 9.52043 14.7215 97.9221 188.222 97.9229 -78.2304 GPRESSURE: 684600 131.672 78.1723 164.581 -85.7184 29.0527 69.4023 241.796 66.3167 -24.5453 PRESSAVG: 684600 22.3396 -5.02107 -33.7275 -5.02108 -29.0997 -5.37721 -33.7275 -5.37716 -15.855 GPRESSAVG: 684600 21.3965 -5.46074 -32.2589 -6.08944 -28.8532 -6.72339 -34.5322 -5.94435 -15.2705 TIMING: 684600 CPU: 2154.12, 0.00313903/step Wall: 2154.12, 0.00313903/step, 3.76283 hours remaining, 234.226562 MB of memory in use. ENERGY: 684600 3974.1584 20662.4358 14486.9006 233.9161 -204112.4416 2670.0752 0.0000 0.0000 51983.4447 -110101.5108 298.7496 -162084.9554 -109737.3028 299.1069 23.3134 45.3931 758214.8916 -7.5384 -7.5757 PRESSURE: 684800 -401.098 -235.722 -59.3213 -235.722 -43.5731 -66.5895 -59.321 -66.5893 -170.865 GPRESSURE: 684800 -333.94 -140.174 -42.8564 -14.079 36.6523 -13.2491 -18.7452 -108.732 -224.758 PRESSAVG: 684800 -59.8453 -24.1688 -25.0381 -24.1688 68.8643 15.3212 -25.038 15.3211 3.39408 GPRESSAVG: 684800 -58.0954 -24.0543 -26.7592 -24.577 68.885 15.7857 -22.4653 13.8597 1.48086 TIMING: 684800 CPU: 2154.75, 0.00312519/step Wall: 2154.75, 0.00312519/step, 3.74606 hours remaining, 234.226562 MB of memory in use. ENERGY: 684800 3995.2937 20579.4493 14449.1116 236.0302 -203968.4265 2576.4892 0.0000 0.0000 51973.9480 -110158.1045 298.6950 -162132.0525 -109796.0766 299.0896 -205.1786 -174.0151 759117.2731 4.1377 4.0902 PRESSURE: 685000 -33.4724 -131.039 -135.386 -131.039 115.564 -58.0711 -135.386 -58.0712 -176.142 GPRESSURE: 685000 65.9139 -109.511 -81.1279 -50.8205 137.748 -3.46288 -92.9696 -107.799 -216.54 PRESSAVG: 685000 25.46 -18.3256 -34.301 -18.3256 -24.9311 -7.99844 -34.3011 -7.99838 12.3749 GPRESSAVG: 685000 24.309 -17.9766 -32.3712 -17.3432 -23.6368 -8.09679 -37.3549 -4.39271 11.843 TIMING: 685000 CPU: 2155.37, 0.00313046/step Wall: 2155.37, 0.00313046/step, 3.7522 hours remaining, 234.226562 MB of memory in use. ENERGY: 685000 4035.3428 20652.5729 14416.6662 215.7661 -203843.7855 2614.8065 0.0000 0.0000 51724.0128 -110184.6183 297.2586 -161908.6311 -109830.6941 298.3640 -31.3502 -4.2927 758210.7605 4.3013 4.1717 PRESSURE: 685200 -148.35 94.5689 91.2505 94.5693 -318.795 2.00942 91.2503 2.0095 84.0984 GPRESSURE: 685200 -164.558 18.57 93.0352 -40.7928 -281.932 -6.4221 28.5693 -35.9783 138.624 PRESSAVG: 685200 -43.1579 -28.8697 -65.5644 -28.8696 41.4039 -31.3339 -65.5644 -31.334 -13.7959 GPRESSAVG: 685200 -42.444 -27.7269 -66.364 -30.0122 39.9106 -30.095 -65.0455 -34.1651 -12.5206 TIMING: 685200 CPU: 2156, 0.00312922/step Wall: 2156, 0.00312922/step, 3.75054 hours remaining, 234.226562 MB of memory in use. ENERGY: 685200 3929.3020 20538.6881 14454.5335 244.7697 -204234.1055 2787.5798 0.0000 0.0000 52111.0582 -110168.1743 299.4830 -162279.2324 -109817.7138 298.5532 -127.6822 -102.6221 759399.1609 -5.1833 -5.0180 PRESSURE: 685400 -43.2063 -3.00668 -25.2787 -3.00736 -180.436 -133.016 -25.2779 -133.015 -163.675 GPRESSURE: 685400 -30.8905 -97.8635 -32.6483 16.0671 -206.133 -186.218 -32.8951 -35.6588 -82.4379 PRESSAVG: 685400 31.8969 -24.0199 -36.7708 -24.02 7.50534 -26.2249 -36.7709 -26.2249 -9.04937 GPRESSAVG: 685400 30.688 -26.8139 -38.4018 -23.7081 8.06853 -26.5795 -34.7355 -25.5116 -8.54894 TIMING: 685400 CPU: 2156.62, 0.00311788/step Wall: 2156.62, 0.00311788/step, 3.73678 hours remaining, 234.285156 MB of memory in use. ENERGY: 685400 4044.9342 20531.2663 14486.3215 253.8668 -203457.2081 2369.8524 0.0000 0.0000 51673.3806 -110097.5863 296.9676 -161770.9669 -109744.4547 298.3831 -129.1058 -106.4873 760354.9671 10.1176 10.0692 PRESSURE: 685600 -4.31866 -52.8788 148.502 -52.8794 122.989 278.264 148.503 278.265 127.125 GPRESSURE: 685600 118.865 -54.8471 107.643 47.5454 133.864 159.648 141.431 337.166 85.7552 PRESSAVG: 685600 46.0046 11.6297 -6.79067 11.6297 -26.9675 30.619 -6.79066 30.6191 16.4791 GPRESSAVG: 685600 47.0052 12.999 -5.13935 11.5939 -25.3908 30.8653 -8.44177 27.8898 14.8337 TIMING: 685600 CPU: 2157.25, 0.00312478/step Wall: 2157.25, 0.00312478/step, 3.74487 hours remaining, 234.285156 MB of memory in use. ENERGY: 685600 3946.3684 20556.8354 14531.2487 248.3213 -203832.7290 2594.4075 0.0000 0.0000 52015.6993 -109939.8483 298.9349 -161955.5476 -109567.6637 298.7959 81.9320 112.8281 759498.2357 11.8388 12.1494 PRESSURE: 685800 101.109 -101.28 47.0903 -101.28 15.0597 1.74378 47.0891 1.74396 -23.2934 GPRESSURE: 685800 123.145 -16.6608 -20.5395 -182.223 52.8243 53.8819 85.1384 -15.0561 -4.4078 PRESSAVG: 685800 -22.586 -38.616 10.4859 -38.616 21.975 -30.2154 10.4859 -30.2154 22.4472 GPRESSAVG: 685800 -21.9435 -40.4772 9.97173 -36.859 20.4985 -31.7105 12.2756 -28.5005 23.2605 TIMING: 685800 CPU: 2157.87, 0.00313449/step Wall: 2157.87, 0.00313449/step, 3.75634 hours remaining, 234.285156 MB of memory in use. ENERGY: 685800 4017.8395 20603.1724 14448.0797 255.9919 -203625.7196 2443.0600 0.0000 0.0000 51921.5852 -109935.9910 298.3941 -161857.5762 -109587.6748 299.0204 30.9585 57.1873 761219.3355 7.2787 7.2718 PRESSURE: 686000 -86.3149 66.7547 -135.841 66.7547 -334.605 242.357 -135.84 242.356 27.6735 GPRESSURE: 686000 -132.703 78.395 -130.384 95.4872 -159.372 238.44 -107.571 142.712 -29.6416 PRESSAVG: 686000 -59.1424 3.2041 4.22615 3.2041 43.3788 -47.2927 4.22618 -47.2927 0.56456 GPRESSAVG: 686000 -59.6748 6.62338 5.83632 2.19125 42.8965 -46.4626 2.88133 -46.6158 1.85109 TIMING: 686000 CPU: 2158.5, 0.00313538/step Wall: 2158.5, 0.00313538/step, 3.75723 hours remaining, 234.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 686000 3919.4111 20556.2297 14492.8454 257.2059 -203899.8908 2457.2951 0.0000 0.0000 52038.1547 -110178.7489 299.0640 -162216.9037 -109817.4237 298.7250 -131.0821 -107.2388 759643.8704 -5.0663 -4.9757 PRESSURE: 686200 -56.415 81.9426 34.7816 81.9429 -444.77 -127.414 34.7815 -127.415 -58.7789 GPRESSURE: 686200 -36.1903 34.8862 105.472 142.39 -408.116 -59.426 55.9487 -128.535 -21.7852 PRESSAVG: 686200 13.7337 13.8679 -50.0435 13.8679 16.3719 -20.99 -50.0435 -20.9901 6.11267 GPRESSAVG: 686200 13.8161 11.9873 -49.7048 15.3984 17.947 -20.1586 -50.098 -20.5258 4.45612 TIMING: 686200 CPU: 2159.13, 0.00313796/step Wall: 2159.13, 0.00313796/step, 3.76015 hours remaining, 234.285156 MB of memory in use. ENERGY: 686200 4048.4177 20427.5108 14473.4261 221.9915 -203607.8464 2220.7766 0.0000 0.0000 52030.7561 -110184.9677 299.0215 -162215.7238 -109821.7208 298.0192 -186.6546 -155.3637 760861.4950 12.0728 12.0731 PRESSURE: 686400 -193.189 26.1927 172.112 26.1934 176.848 -55.935 172.112 -55.9353 -10.2639 GPRESSURE: 686400 -125.674 47.6755 186.781 47.2238 212.514 -35.6791 156.808 107.04 -41.8073 PRESSAVG: 686400 40.8162 -44.1696 18.0262 -44.1697 -29.1033 -35.7923 18.0262 -35.7923 2.6953 GPRESSAVG: 686400 41.5211 -43.2984 15.9719 -46.6659 -31.1775 -38.1573 20.4028 -35.3372 4.16327 TIMING: 686400 CPU: 2159.75, 0.00312235/step Wall: 2159.75, 0.00312235/step, 3.74126 hours remaining, 234.285156 MB of memory in use. ENERGY: 686400 4054.1618 20416.6308 14410.0068 259.2780 -203517.0122 2465.5081 0.0000 0.0000 51868.5052 -110042.9214 298.0890 -161911.4266 -109683.3264 298.2746 -8.8684 15.0111 760194.0303 4.8027 4.8356 PRESSURE: 686600 -191.096 -100.276 144.946 -100.276 -345.04 -0.230536 144.945 -0.229932 -120.841 GPRESSURE: 686600 -167.103 -120.803 182.931 -99.8716 -242.94 78.966 127.033 -28.0453 -167.516 PRESSAVG: 686600 6.05131 -76.7814 -37.3981 -76.7814 -4.46733 27.091 -37.398 27.091 5.80089 GPRESSAVG: 686600 7.21096 -77.902 -36.3391 -74.8313 -4.19862 29.3905 -40.7114 26.3609 4.27168 TIMING: 686600 CPU: 2160.38, 0.00314283/step Wall: 2160.38, 0.00314283/step, 3.76564 hours remaining, 234.285156 MB of memory in use. ENERGY: 686600 3943.0739 20520.9548 14351.1989 229.9562 -203291.9939 2164.6376 0.0000 0.0000 51915.7206 -110166.4519 298.3604 -162082.1726 -109804.0404 298.6604 -218.9925 -192.5197 761940.6136 2.4616 2.4280 PRESSURE: 686800 180.903 -230.684 50.6735 -230.684 138.376 199.197 50.674 199.197 272.833 GPRESSURE: 686800 204.224 -187.12 39.5552 -165.764 72.1028 194.317 54.6572 161.514 397.034 PRESSAVG: 686800 54.8726 -32.548 -41.9499 -32.548 -38.1827 -16.8499 -41.9498 -16.8498 -10.1225 GPRESSAVG: 686800 53.4067 -31.9292 -43.614 -35.5267 -37.6061 -17.7306 -38.7723 -18.712 -9.60609 TIMING: 686800 CPU: 2161.01, 0.00313994/step Wall: 2161.01, 0.00313994/step, 3.762 hours remaining, 234.285156 MB of memory in use. ENERGY: 686800 3875.1817 20529.6864 14343.7721 236.5585 -203348.3090 2465.5176 0.0000 0.0000 51801.6096 -110095.9831 297.7046 -161897.5927 -109733.9054 298.0299 197.3705 224.4534 761686.4622 2.1891 2.0648 PRESSURE: 687000 -320.608 -63.0065 35.2549 -63.0072 -239.965 94.5921 35.2553 94.592 107.527 GPRESSURE: 687000 -242.156 31.6782 91.1685 -36.6704 -168.616 97.5124 45.8778 137.335 56.965 PRESSAVG: 687000 -30.6946 -20.2986 -1.68007 -20.2987 8.1383 49.5811 -1.68006 49.5811 5.89689 GPRESSAVG: 687000 -29.8044 -18.5954 -1.34593 -17.4962 6.71368 50.7265 -3.89699 51.0832 5.97376 TIMING: 687000 CPU: 2161.64, 0.00313778/step Wall: 2161.64, 0.00313778/step, 3.75923 hours remaining, 234.285156 MB of memory in use. ENERGY: 687000 4039.8954 20462.1214 14376.6402 236.9748 -203684.8620 2793.0670 0.0000 0.0000 51702.1229 -110074.0404 297.1328 -161776.1633 -109713.1614 297.9079 -151.0150 -117.9357 761370.1332 -5.5531 -5.7057 PRESSURE: 687200 29.9577 -97.7229 -98.4226 -97.7232 -167.258 -8.447 -98.4221 -8.44728 -342.606 GPRESSURE: 687200 51.3362 -59.2008 -92.8253 -59.5868 -154.616 -72.2866 210.27 -114.052 -320.984 PRESSAVG: 687200 -1.36048 -34.9419 18.1049 -34.942 -36.2917 20.4058 18.105 20.4058 10.5592 GPRESSAVG: 687200 -2.55029 -33.7126 17.7869 -36.5578 -34.7411 19.366 20.2889 21.7431 10.4423 TIMING: 687200 CPU: 2162.26, 0.00311022/step Wall: 2162.26, 0.00311022/step, 3.72605 hours remaining, 234.285156 MB of memory in use. ENERGY: 687200 3923.6332 20499.6936 14390.0032 242.3727 -203218.6918 2254.8316 0.0000 0.0000 52013.5121 -109894.6453 298.9224 -161908.1574 -109522.1868 298.2599 -159.9689 -141.4213 761212.5332 -9.0310 -8.9497 PRESSURE: 687400 -105.789 62.5291 -75.084 62.5296 -191.175 106.777 -75.0841 106.778 -90.6038 GPRESSURE: 687400 -121.857 17.3528 -119.134 145.761 -69.9615 141.112 -0.106013 150.775 -111.082 PRESSAVG: 687400 -5.9732 -67.1454 29.9721 -67.1455 29.4521 -19.6534 29.9721 -19.6534 -1.38167 GPRESSAVG: 687400 -5.8931 -67.885 30.6956 -65.8232 29.2168 -20.3931 29.1585 -20.0463 -1.28282 TIMING: 687400 CPU: 2162.89, 0.00312577/step Wall: 2162.89, 0.00312577/step, 3.7445 hours remaining, 234.285156 MB of memory in use. ENERGY: 687400 3891.8663 20515.1567 14331.5687 239.0532 -203517.6440 2454.3933 0.0000 0.0000 52183.7051 -109901.9008 299.9005 -162085.6059 -109532.0095 298.2427 -129.1894 -100.9666 761466.5238 7.3658 7.3469 PRESSURE: 687600 -144.998 -138.466 142.547 -138.466 -11.8817 -25.4913 142.546 -25.4912 343.611 GPRESSURE: 687600 -150.316 -110.316 237.848 -197.568 83.1361 -37.1149 17.8055 71.2203 338.827 PRESSAVG: 687600 -37.6136 -64.4446 -3.22414 -64.4447 -9.38965 -50.9792 -3.22408 -50.9794 -9.7904 GPRESSAVG: 687600 -37.5013 -67.8135 -3.18031 -64.8485 -9.89446 -50.1247 -4.53648 -51.9642 -9.51347 TIMING: 687600 CPU: 2163.51, 0.00313352/step Wall: 2163.51, 0.00313352/step, 3.75361 hours remaining, 234.285156 MB of memory in use. ENERGY: 687600 3960.6832 20427.5277 14388.6108 266.9244 -203447.0270 2691.0881 0.0000 0.0000 51995.2815 -109716.9113 298.8176 -161712.1928 -109353.4095 298.5447 62.2440 90.5489 759678.2172 -18.9312 -18.9698 PRESSURE: 687800 56.5004 -104.976 -222.653 -104.976 -8.35609 143.498 -222.654 143.498 212.283 GPRESSURE: 687800 78.602 -172.078 -109.577 -115.959 103.261 54.5734 -230.832 188.084 179.547 PRESSAVG: 687800 16.2886 -33.4823 -25.3716 -33.4823 -4.37242 -33.6641 -25.3716 -33.6642 -9.31881 GPRESSAVG: 687800 15.2799 -30.4553 -24.22 -35.7388 -3.58084 -32.6919 -25.3643 -32.3513 -9.17734 TIMING: 687800 CPU: 2164.14, 0.00312717/step Wall: 2164.14, 0.00312717/step, 3.74582 hours remaining, 234.285156 MB of memory in use. ENERGY: 687800 3969.6591 20506.6653 14360.5930 275.5705 -203741.9409 2585.5895 0.0000 0.0000 52465.4290 -109578.4343 301.5195 -162043.8634 -109215.7720 299.5806 86.8090 120.4700 757721.2294 0.8658 0.8406 PRESSURE: 688000 67.331 53.6424 12.8802 53.6414 223.943 14.5695 12.8803 14.5686 266.488 GPRESSURE: 688000 222.486 141.503 -57.219 5.74955 181.864 94.4707 34.3941 -17.3282 244.637 PRESSAVG: 688000 -6.75418 -19.2481 -24.5048 -19.2481 3.68253 33.4744 -24.5047 33.4744 -2.47332 GPRESSAVG: 688000 -5.13933 -20.8467 -26.5544 -17.1643 1.67133 35.234 -24.9289 30.1898 -2.25009 TIMING: 688000 CPU: 2164.76, 0.00310795/step Wall: 2164.76, 0.00310795/step, 3.72263 hours remaining, 234.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 688000 4066.4970 20412.7309 14363.1582 234.1743 -204053.9169 3077.8228 0.0000 0.0000 52126.6080 -109772.9256 299.5723 -161899.5336 -109397.2110 299.4021 185.9207 216.3287 759448.9919 -1.8483 -1.9060 PRESSURE: 688200 228.948 -315.836 -195.803 -315.836 53.9806 -137.783 -195.803 -137.783 30.3727 GPRESSURE: 688200 219.488 -367.684 -92.3063 -236.509 112.797 -74.6019 -186.877 -104.966 81.6082 PRESSAVG: 688200 -6.26313 7.18536 -51.2682 7.18538 12.8661 43.9292 -51.2682 43.929 7.9304 GPRESSAVG: 688200 -5.45357 6.6619 -51.2343 7.40597 13.0992 41.9758 -51.4466 44.7359 7.45095 TIMING: 688200 CPU: 2165.38, 0.0031257/step Wall: 2165.38, 0.0031257/step, 3.74372 hours remaining, 234.285156 MB of memory in use. ENERGY: 688200 3914.8412 20575.2917 14464.5541 252.2308 -203726.2404 2772.5348 0.0000 0.0000 51984.6805 -109762.1074 298.7567 -161746.7879 -109404.1819 298.8930 104.4337 137.9642 760272.4135 4.8445 5.0322 LDB: ============= START OF LOAD BALANCING ============== 2177.78 LDB: ============== END OF LOAD BALANCING =============== 2177.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2177.78 LDB: ============= START OF LOAD BALANCING ============== 2178.1 LDB: Largest compute 7038 load 0.030856 is 15.8% of average load 0.195825 LDB: Average compute 0.004365 is 2.2% of average load 0.195825 LDB: TIME 2178.1 LOAD: AVG 0.195825 MAX 0.21707 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.895 MB LDB: TIME 2178.1 LOAD: AVG 0.195825 MAX 0.21707 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: TIME 2178.1 LOAD: AVG 0.195825 MAX 0.21707 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: ============== END OF LOAD BALANCING =============== 2178.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2178.11 PRESSURE: 688400 455.769 100.334 -118.072 100.335 317.93 137.727 -118.072 137.726 81.5706 GPRESSURE: 688400 402.224 206.641 -157.08 4.70832 457.547 207.9 -33.1528 213.946 87.3278 PRESSAVG: 688400 7.12639 -23.1911 -8.60942 -23.1911 -11.7763 25.697 -8.60939 25.697 9.99916 GPRESSAVG: 688400 7.04879 -21.3611 -7.37587 -25.5151 -11.0209 25.3807 -8.27298 26.4591 9.59135 TIMING: 688400 CPU: 2166.02, 0.00319896/step Wall: 2166.02, 0.00319896/step, 3.83128 hours remaining, 233.628906 MB of memory in use. ENERGY: 688400 3950.1840 20466.3889 14465.4241 240.6495 -203800.1085 2753.8403 0.0000 0.0000 52025.6439 -109897.9779 298.9921 -161923.6218 -109532.7701 298.7765 285.0896 315.6994 758731.1970 1.7831 1.8731 PRESSURE: 688600 276.626 -108.221 268.611 -108.22 222.176 24.6764 268.61 24.6767 84.5534 GPRESSURE: 688600 227.999 -40.7861 289.616 -46.3273 249.334 -3.05771 279.064 99.4125 189.865 PRESSAVG: 688600 8.78007 3.84077 22.3519 3.84077 47.086 43.018 22.3518 43.0181 -28.485 GPRESSAVG: 688600 7.93843 3.72932 22.6617 4.80351 47.3441 43.5322 21.3197 42.5914 -27.9352 TIMING: 688600 CPU: 2166.65, 0.0031249/step Wall: 2166.65, 0.0031249/step, 3.74241 hours remaining, 234.148438 MB of memory in use. ENERGY: 688600 3977.1532 20421.0591 14402.0570 230.6949 -203628.7079 2599.8074 0.0000 0.0000 52207.5274 -109790.4088 300.0374 -161997.9362 -109419.2165 298.1958 194.4519 222.3990 760779.6706 9.1270 9.1158 PRESSURE: 688800 -36.4871 124.205 135.941 124.205 -96.8187 218.046 135.941 218.045 9.25977 GPRESSURE: 688800 -76.3096 64.1699 133.432 212.984 62.1021 227.647 69.2426 217.379 -38.3804 PRESSAVG: 688800 -83.8626 -23.3985 6.92542 -23.3985 55.9664 40.6795 6.92549 40.6796 -7.75547 GPRESSAVG: 688800 -83.3226 -23.0647 6.59509 -22.7832 55.7869 39.4597 6.01609 41.2162 -7.83166 TIMING: 688800 CPU: 2167.27, 0.00312535/step Wall: 2167.27, 0.00312535/step, 3.74279 hours remaining, 234.199219 MB of memory in use. ENERGY: 688800 4021.0184 20487.5000 14444.1241 260.8771 -203179.8881 2319.6140 0.0000 0.0000 52085.7666 -109560.9878 299.3376 -161646.7544 -109188.2261 298.8486 -41.3487 -17.5293 761395.3031 -11.8839 -11.7891 PRESSURE: 689000 328.665 -252.205 -2.31413 -252.205 507.533 113.02 -2.31378 113.018 -89.4319 GPRESSURE: 689000 333.009 -236.753 -98.9433 -309.16 513.304 62.5991 45.6006 90.3025 -16.8279 PRESSAVG: 689000 -44.409 3.79247 25.8991 3.7925 38.2512 10.7155 25.8991 10.7154 1.69342 GPRESSAVG: 689000 -44.2141 3.45859 26.4181 2.85858 37.7834 11.704 27.0949 11.6145 1.60759 TIMING: 689000 CPU: 2167.9, 0.00312795/step Wall: 2167.9, 0.00312795/step, 3.74572 hours remaining, 234.269531 MB of memory in use. ENERGY: 689000 3966.1211 20548.1836 14435.1180 275.7822 -203810.0342 2813.2338 0.0000 0.0000 52263.6292 -109507.9662 300.3598 -161771.5955 -109136.6176 299.8308 248.9218 276.4949 760689.6087 -1.4881 -1.6077 PRESSURE: 689200 135.272 -72.5868 -169.051 -72.5862 -380.548 -239.588 -169.051 -239.588 -256.858 GPRESSURE: 689200 134.181 -106.741 -215.027 -119.55 -268.648 -150.32 -131.574 -211.988 -296.505 PRESSAVG: 689200 -30.3887 -9.73747 14.0149 -9.73758 69.2063 48.0817 14.0148 48.0818 19.6365 GPRESSAVG: 689200 -30.2751 -10.6281 13.4525 -8.08342 71.0337 49.6833 13.9208 48.6103 18.5233 TIMING: 689200 CPU: 2168.52, 0.00312373/step Wall: 2168.52, 0.00312373/step, 3.7405 hours remaining, 234.269531 MB of memory in use. ENERGY: 689200 4093.1759 20659.6633 14366.2852 246.1435 -203162.6186 2208.0590 0.0000 0.0000 51887.8556 -109701.4360 298.2002 -161589.2916 -109345.8733 300.0540 -167.3781 -143.6572 761474.7161 19.4847 19.7606 PRESSURE: 689400 -240.015 118.734 167.086 118.734 -96.7382 -31.0781 167.086 -31.0776 -98.8844 GPRESSURE: 689400 -168.97 8.23767 223.189 172.386 -63.2333 -37.0265 163.701 -2.81937 -127.378 PRESSAVG: 689400 -90.7721 -36.2722 55.0028 -36.2721 80.9506 40.176 55.0028 40.176 11.532 GPRESSAVG: 689400 -89.8436 -37.226 55.8387 -34.9843 80.1525 39.9144 55.5891 38.6981 11.7875 TIMING: 689400 CPU: 2169.15, 0.00313944/step Wall: 2169.15, 0.00313944/step, 3.75913 hours remaining, 234.269531 MB of memory in use. ENERGY: 689400 4061.1974 20611.0798 14425.9629 240.1610 -203412.8667 2325.2119 0.0000 0.0000 52359.0262 -109390.2275 300.9080 -161749.2537 -109030.5164 299.8656 -145.2125 -119.8605 760350.9104 0.5702 0.6988 PRESSURE: 689600 213.813 -14.5088 57.3836 -14.5079 202.236 160.576 57.3837 160.576 -166.454 GPRESSURE: 689600 233.241 -16.663 90.5666 24.4276 186.87 140.919 70.6535 -65.9849 -89.3627 PRESSAVG: 689600 12.0582 -2.35246 -1.55799 -2.35245 17.1068 19.5498 -1.55799 19.5498 -4.44276 GPRESSAVG: 689600 10.714 -0.754861 -3.26985 -4.85852 17.3734 16.9416 -0.532078 19.755 -3.17021 TIMING: 689600 CPU: 2169.78, 0.00314014/step Wall: 2169.78, 0.00314014/step, 3.7598 hours remaining, 234.269531 MB of memory in use. ENERGY: 689600 3990.9239 20912.3116 14387.7290 263.6756 -203449.6659 2631.1551 0.0000 0.0000 51991.0005 -109272.8702 298.7930 -161263.8708 -108911.4498 299.7822 83.1985 110.2495 760280.4106 8.2407 8.3057 PRESSURE: 689800 -157.827 -242.592 48.0161 -242.591 150.981 17.154 48.0158 17.1545 209.483 GPRESSURE: 689800 -91.2525 -259.885 55.0146 -213.867 197.14 -74.1101 95.1814 35.569 181.638 PRESSAVG: 689800 -13.9405 -14.002 12.2701 -14.0021 14.1497 -5.55721 12.2701 -5.55723 5.20067 GPRESSAVG: 689800 -14.4036 -12.1212 11.983 -12.6678 13.9043 -5.07559 14.077 -6.41501 5.21918 TIMING: 689800 CPU: 2170.4, 0.00311186/step Wall: 2170.4, 0.00311186/step, 3.72576 hours remaining, 234.269531 MB of memory in use. ENERGY: 689800 4030.7220 20635.8761 14402.8494 241.6824 -203286.5180 2495.6920 0.0000 0.0000 52138.5807 -109341.1154 299.6411 -161479.6961 -108975.6785 299.9984 67.5459 95.8419 761671.2659 1.8033 1.5733 PRESSURE: 690000 -42.8523 143.649 -111.187 143.65 137.153 -31.9825 -111.186 -31.9815 311.421 GPRESSURE: 690000 3.90807 139.789 6.43803 192.6 131.199 -14.0486 -84.1794 55.4378 344.001 PRESSAVG: 690000 -18.9941 27.1118 66.9473 27.1117 89.1814 51.3337 66.9473 51.3337 14.1953 GPRESSAVG: 690000 -18.3338 26.3282 68.1705 28.0548 89.2584 51.7121 64.7648 52.3636 13.5918 TIMING: 690000 CPU: 2171.03, 0.0031345/step Wall: 2171.03, 0.0031345/step, 3.75269 hours remaining, 234.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 690000 3994.8789 20694.2729 14466.8361 243.6535 -203242.3160 2421.4274 0.0000 0.0000 51928.8943 -109492.3529 298.4361 -161421.2472 -109138.0283 299.5962 135.2407 159.7026 760659.8996 28.1275 28.1721 PRESSURE: 690200 -178.865 -61.6099 343.702 -61.609 28.8399 240.828 343.702 240.829 95.3261 GPRESSURE: 690200 -172.286 -111.058 413.099 -108.755 64.8265 258.7 297.335 289.206 131.618 PRESSAVG: 690200 -18.0475 -0.382885 114.057 -0.382852 -19.2877 -0.924719 114.057 -0.924694 3.92776 GPRESSAVG: 690200 -17.5994 -0.205181 113.371 -2.17992 -18.7944 2.51896 114.441 -2.76651 2.85454 TIMING: 690200 CPU: 2171.65, 0.00310841/step Wall: 2171.65, 0.00310841/step, 3.72129 hours remaining, 234.269531 MB of memory in use. ENERGY: 690200 4005.7776 20628.1197 14364.6060 233.5349 -203144.1511 2503.7268 0.0000 0.0000 51791.1286 -109617.2575 297.6443 -161408.3861 -109256.5920 298.8607 -18.2331 8.0527 763445.5340 -11.1358 -11.1798 PRESSURE: 690400 -13.3575 71.7167 82.7177 71.7159 -50.1999 -106.485 82.7178 -106.484 -260.049 GPRESSURE: 690400 23.7101 -85.2382 40.4288 4.3364 23.1198 -129.523 -13.7907 -51.4336 -288.626 PRESSAVG: 690400 -8.59257 -32.4833 36.7683 -32.4833 -19.0006 -16.0917 36.7684 -16.0917 5.07331 GPRESSAVG: 690400 -10.1602 -32.6929 36.9436 -33.3787 -19.979 -19.4153 36.1147 -11.1683 7.49298 TIMING: 690400 CPU: 2172.28, 0.00314463/step Wall: 2172.28, 0.00314463/step, 3.76447 hours remaining, 234.269531 MB of memory in use. ENERGY: 690400 4006.6009 20517.0377 14382.9276 226.2601 -203501.1235 2674.7756 0.0000 0.0000 52379.8977 -109313.6239 301.0280 -161693.5217 -108947.7435 299.6966 -107.8687 -80.5988 761992.8529 -7.5066 -7.5488 PRESSURE: 690600 -145.442 -210.213 -39.254 -210.212 -153.829 28.2921 -39.2537 28.2916 80.4194 GPRESSURE: 690600 -104.387 -211.899 -33.2692 -194.179 -61.338 -20.1435 -190.191 -134.066 21.6499 PRESSAVG: 690600 -36.6207 -68.564 -2.38755 -68.564 41.9696 29.6773 -2.38757 29.6772 10.4635 GPRESSAVG: 690600 -36.1686 -68.5288 0.299049 -68.9429 43.4501 31.8984 -5.25054 25.9231 8.01177 TIMING: 690600 CPU: 2172.91, 0.00313022/step Wall: 2172.91, 0.00313022/step, 3.74705 hours remaining, 234.269531 MB of memory in use. ENERGY: 690600 3994.5708 20557.2211 14413.0607 240.8839 -202823.4863 2400.3069 0.0000 0.0000 52071.0499 -109146.3930 299.2530 -161217.4430 -108779.6756 300.1926 -72.9509 -48.0251 761302.2822 5.2708 5.0978 PRESSURE: 690800 94.7278 -173.349 -8.59877 -173.349 88.4858 25.2823 -8.59895 25.2819 116.63 GPRESSURE: 690800 156.361 -185.439 27.9729 -153.383 106.441 13.3456 57.6162 -59.1054 147.473 PRESSAVG: 690800 -33.6376 -45.6064 9.75145 -45.6064 56.075 -1.0499 9.75138 -1.0499 15.6405 GPRESSAVG: 690800 -32.6289 -46.4415 7.26799 -46.6125 54.8587 -2.73247 12.7011 -0.547974 16.36 TIMING: 690800 CPU: 2173.53, 0.00310958/step Wall: 2173.53, 0.00310958/step, 3.72216 hours remaining, 234.269531 MB of memory in use. ENERGY: 690800 4044.0814 20437.9908 14448.5821 263.0499 -203280.6342 2423.6162 0.0000 0.0000 52254.4457 -109408.8681 300.3070 -161663.3139 -109050.0103 299.9289 99.9478 136.7584 759807.1896 12.6926 12.8633 PRESSURE: 691000 -4.651 74.9354 50.5895 74.9352 176.9 60.4935 50.5903 60.4928 145.182 GPRESSURE: 691000 67.1168 88.6172 39.1657 -0.960818 285.478 166.756 84.1181 27.9446 42.4978 PRESSAVG: 691000 40.4191 -18.3555 47.1519 -18.3556 -21.5878 33.7677 47.1519 33.7677 20.4468 GPRESSAVG: 691000 41.0629 -18.071 47.4148 -14.848 -22.8104 32.3048 47.8017 36.4362 21.276 TIMING: 691000 CPU: 2174.15, 0.00313073/step Wall: 2174.15, 0.00313073/step, 3.74731 hours remaining, 234.269531 MB of memory in use. ENERGY: 691000 3913.0831 20684.7067 14506.3848 242.4617 -203280.9101 2474.6590 0.0000 0.0000 51932.7251 -109526.8896 298.4581 -161459.6147 -109170.4402 299.3357 105.8102 131.6975 759952.7782 13.0927 13.1762 PRESSURE: 691200 16.5044 126.981 183.051 126.981 -265.178 36.1291 183.049 36.1287 -405.853 GPRESSURE: 691200 -11.9633 157.306 44.6526 153.245 -258.587 2.88067 135.567 6.59579 -318.03 PRESSAVG: 691200 25.0975 -38.4115 47.4421 -38.4114 -72.7447 -30.45 47.4422 -30.4501 -12.3699 GPRESSAVG: 691200 23.9974 -38.8143 46.4666 -40.7974 -72.3088 -29.2467 46.1663 -33.44 -11.8459 TIMING: 691200 CPU: 2174.78, 0.00313303/step Wall: 2174.78, 0.00313303/step, 3.74989 hours remaining, 234.269531 MB of memory in use. ENERGY: 691200 3991.1666 20561.9303 14476.8056 260.4975 -203112.4661 2138.9712 0.0000 0.0000 52152.9012 -109530.1936 299.7234 -161683.0948 -109166.9339 299.0581 -218.1756 -196.1933 761104.8581 -20.0057 -20.0524 PRESSURE: 691400 -59.0912 279.682 116.288 279.682 -159.968 253.847 116.289 253.846 11.3142 GPRESSURE: 691400 -97.2855 250.501 38.9354 289.632 -102.091 270.054 246.009 107.531 58.9874 PRESSAVG: 691400 2.25703 3.35273 5.01545 3.35276 -6.49795 54.6615 5.01538 54.6615 18.2515 GPRESSAVG: 691400 1.30206 1.85616 6.09118 5.59982 -5.35488 55.1913 6.79954 54.1747 17.9263 TIMING: 691400 CPU: 2175.41, 0.00313577/step Wall: 2175.41, 0.00313577/step, 3.753 hours remaining, 234.269531 MB of memory in use. ENERGY: 691400 3994.1837 20557.1544 14495.3551 245.7966 -203088.4654 2254.7217 0.0000 0.0000 52008.6385 -109532.6154 298.8944 -161541.2539 -109173.4711 299.1949 -69.2482 -46.7965 760832.6105 4.6702 4.6245 PRESSURE: 691600 -349.608 -105.721 -117.98 -105.72 -23.8043 -158.288 -117.98 -158.288 -287.011 GPRESSURE: 691600 -286.622 -120.286 -166.685 -157.452 40.3986 -203.167 -3.3891 -147.874 -316.39 PRESSAVG: 691600 -63.3079 -14.6533 18.0259 -14.6533 79.0809 -13.9643 18.0259 -13.9643 -4.10861 GPRESSAVG: 691600 -63.5631 -12.7744 16.6242 -15.6071 79.5414 -14.7546 17.793 -14.4386 -4.67208 TIMING: 691600 CPU: 2176.04, 0.00314901/step Wall: 2176.04, 0.00314901/step, 3.76866 hours remaining, 234.269531 MB of memory in use. ENERGY: 691600 4018.5555 20577.5229 14477.3752 236.1031 -203525.2697 2478.3693 0.0000 0.0000 52251.2217 -109486.1221 300.2885 -161737.3438 -109127.3909 299.6971 -220.1413 -187.5379 760771.2458 3.8881 3.7687 PRESSURE: 691800 -155.793 40.7201 -80.5089 40.7203 -94.4629 -277.554 -80.5084 -277.554 304.937 GPRESSURE: 691800 -60.7768 -86.1189 -50.5542 85.2269 -142.865 -266.012 -27.0397 -189.791 333.212 PRESSAVG: 691800 -41.4937 13.6227 4.9901 13.6228 26.3285 -27.3079 4.99008 -27.3079 24.4106 GPRESSAVG: 691800 -40.4626 12.6444 6.14533 14.1765 25.7092 -29.6678 6.0338 -23.5447 23.7451 TIMING: 691800 CPU: 2176.67, 0.0031395/step Wall: 2176.67, 0.0031395/step, 3.75711 hours remaining, 234.269531 MB of memory in use. ENERGY: 691800 3913.0086 20731.8715 14440.1246 256.4064 -203360.0089 2407.3880 0.0000 0.0000 52231.4961 -109379.7136 300.1751 -161611.2098 -109015.6290 299.8972 18.2271 43.1900 759195.8526 3.0818 2.9972 PRESSURE: 692000 212.351 44.7668 -150.228 44.7663 -25.1633 -55.3947 -150.229 -55.3947 -164.115 GPRESSURE: 692000 268.78 -14.2524 -170.389 0.392027 -15.2959 -41.9119 -191.526 -80.0201 -163.732 PRESSAVG: 692000 -9.854 5.04104 -10.574 5.04108 27.3445 6.53208 -10.574 6.53209 10.4254 GPRESSAVG: 692000 -10.3188 3.85007 -9.9 4.81253 27.9763 9.48782 -11.9362 4.22999 10.3277 TIMING: 692000 CPU: 2177.29, 0.00314184/step Wall: 2177.29, 0.00314184/step, 3.75973 hours remaining, 234.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 692000 3948.0096 20506.8000 14323.3606 239.3130 -203405.7162 2479.9986 0.0000 0.0000 52489.5032 -109418.7313 301.6579 -161908.2345 -109052.7853 300.3706 7.6908 29.9173 760690.3132 9.3053 9.3284 PRESSURE: 692200 -79.0401 4.99256 35.4281 4.99308 167.161 279.671 35.4268 279.671 263.554 GPRESSURE: 692200 -164.657 -64.532 -5.62078 40.9491 258.617 344.682 38.2808 250.972 334.877 PRESSAVG: 692200 4.04109 -3.94725 21.6446 -3.94733 1.13863 25.7481 21.6446 25.7481 27.7566 GPRESSAVG: 692200 2.88697 -2.48404 22.5626 -5.52589 0.716252 23.484 22.1082 26.6492 28.8973 TIMING: 692200 CPU: 2177.93, 0.00316175/step Wall: 2177.93, 0.00316175/step, 3.78339 hours remaining, 234.269531 MB of memory in use. ENERGY: 692200 3960.9958 20595.2022 14343.5878 251.3342 -203547.1405 2612.6524 0.0000 0.0000 52218.5449 -109564.8233 300.1007 -161783.3682 -109199.4595 299.9208 117.2250 142.9457 760183.1153 10.9788 10.8335 LDB: ============= START OF LOAD BALANCING ============== 2190.32 LDB: ============== END OF LOAD BALANCING =============== 2190.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2190.33 LDB: ============= START OF LOAD BALANCING ============== 2190.64 LDB: Largest compute 7078 load 0.031591 is 16.1% of average load 0.195832 LDB: Average compute 0.004366 is 2.2% of average load 0.195832 LDB: TIME 2190.65 LOAD: AVG 0.195832 MAX 0.216523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.707 MB LDB: TIME 2190.65 LOAD: AVG 0.195832 MAX 0.216523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.707 MB LDB: TIME 2190.65 LOAD: AVG 0.195832 MAX 0.216523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.707 MB LDB: ============== END OF LOAD BALANCING =============== 2190.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2190.65 PRESSURE: 692400 76.1586 81.809 -20.1268 81.8083 10.6994 -159.267 -20.1272 -159.266 -262.005 GPRESSURE: 692400 21.8805 87.8744 -76.8992 126.442 99.2843 -146.943 -50.9215 -181.377 -213.508 PRESSAVG: 692400 -43.123 -53.6242 52.7614 -53.6241 51.3751 37.3989 52.7614 37.3989 7.08653 GPRESSAVG: 692400 -41.5774 -53.1122 52.2087 -52.513 50.4584 39.3796 51.7776 36.5198 7.27056 TIMING: 692400 CPU: 2178.57, 0.0032283/step Wall: 2178.57, 0.0032283/step, 3.86284 hours remaining, 234.144531 MB of memory in use. ENERGY: 692400 3915.1153 20564.1209 14375.3111 228.6455 -203620.3309 2414.4763 0.0000 0.0000 52268.8820 -109853.7798 300.3900 -162122.6618 -109476.6884 299.7842 -58.3824 -30.7812 760557.3653 5.1129 5.3839 PRESSURE: 692600 -19.3322 -165.809 -16.6085 -165.81 18.2869 -240.023 -16.6082 -240.024 -170.963 GPRESSURE: 692600 32.1795 -163.908 92.2416 -242.841 48.4365 -123.496 49.2179 -102.534 -172.92 PRESSAVG: 692600 6.09496 -19.0431 -30.5856 -19.043 17.7943 13.9425 -30.5856 13.9425 -8.69108 GPRESSAVG: 692600 5.94905 -18.6173 -30.4546 -18.2017 18.1382 15.4743 -28.2979 14.9661 -9.351 TIMING: 692600 CPU: 2179.2, 0.00315357/step Wall: 2179.2, 0.00315357/step, 3.77324 hours remaining, 234.144531 MB of memory in use. ENERGY: 692600 3992.1346 20571.4887 14452.7256 224.8619 -203416.9358 2473.0615 0.0000 0.0000 52048.9854 -109653.6783 299.1262 -161702.6636 -109297.8573 299.3938 -57.3360 -30.7679 760828.6174 5.0661 4.9121 PRESSURE: 692800 -163.53 -65.8528 -102.849 -65.8529 165.648 -89.3056 -102.85 -89.3066 203.965 GPRESSURE: 692800 -103.371 33.5979 -174.316 -159.794 185.503 -51.0162 46.3705 -94.1495 211.994 PRESSAVG: 692800 -17.4676 -60.8903 20.3074 -60.8903 84.0767 37.1557 20.3074 37.1557 11.4013 GPRESSAVG: 692800 -17.2657 -59.7723 19.8401 -64.236 84.091 36.9338 19.4842 36.3893 11.5104 TIMING: 692800 CPU: 2179.83, 0.00314271/step Wall: 2179.83, 0.00314271/step, 3.76007 hours remaining, 234.144531 MB of memory in use. ENERGY: 692800 4032.7026 20562.2754 14440.9568 239.2707 -202622.6794 1994.4092 0.0000 0.0000 51849.2127 -109503.8520 297.9781 -161353.0647 -109149.5706 300.1203 68.6944 98.0420 760972.3452 26.0035 26.1119 PRESSURE: 693000 -391.886 -111.394 -57.4351 -111.394 97.2589 63.2177 -57.4358 63.2194 -205.057 GPRESSURE: 693000 -327.025 -36.6505 -29.2019 -48.6454 85.287 88.2303 123.88 -99.9342 -142.991 PRESSAVG: 693000 -73.9622 19.1133 54.4501 19.1133 79.1863 -10.5652 54.4501 -10.5653 3.04031 GPRESSAVG: 693000 -73.6422 18.8862 54.7924 21.2081 78.4967 -12.2278 54.2481 -8.68357 3.35615 TIMING: 693000 CPU: 2180.46, 0.0031515/step Wall: 2180.46, 0.0031515/step, 3.77042 hours remaining, 234.347656 MB of memory in use. ENERGY: 693000 3987.9062 20427.2244 14383.9105 256.2633 -203093.3292 2465.3230 0.0000 0.0000 51869.2978 -109703.4039 298.0936 -161572.7018 -109329.8507 298.9677 -166.5612 -128.2432 760421.4373 2.7548 2.7369 PRESSURE: 693200 -134.656 -82.2566 3.03062 -82.2571 77.5094 254.208 3.03131 254.209 161.733 GPRESSURE: 693200 -47.0577 -52.7616 -47.3392 -126.503 77.6639 207.445 15.1409 245.256 145.465 PRESSAVG: 693200 -54.6908 -34.9637 2.43428 -34.9637 69.7173 55.958 2.43427 55.9581 7.91829 GPRESSAVG: 693200 -55.4472 -37.3134 1.15094 -32.9536 70.7542 54.5341 2.91653 51.5462 8.19303 TIMING: 693200 CPU: 2181.1, 0.00317692/step Wall: 2181.1, 0.00317692/step, 3.80065 hours remaining, 234.347656 MB of memory in use. ENERGY: 693200 3950.5905 20391.4787 14381.0062 241.3725 -203351.5196 2452.9060 0.0000 0.0000 52288.3215 -109645.8441 300.5017 -161934.1656 -109285.2275 299.1475 34.8624 58.6904 761870.5593 7.6483 7.8333 PRESSURE: 693400 -96.3559 -186.831 -65.4435 -186.83 -93.3098 -96.8115 -65.4441 -96.8117 -272.465 GPRESSURE: 693400 -200.788 -161.036 -110.248 -219.684 18.2096 -73.0328 -226.445 -11.3025 -186.87 PRESSAVG: 693400 19.4183 -63.7959 -30.5174 -63.796 0.322896 9.97221 -30.5174 9.97214 -4.4185 GPRESSAVG: 693400 19.5922 -61.9777 -28.9877 -65.3841 0.2386 11.7518 -32.0587 13.1976 -4.53823 TIMING: 693400 CPU: 2181.73, 0.00316624/step Wall: 2181.73, 0.00316624/step, 3.7877 hours remaining, 234.347656 MB of memory in use. ENERGY: 693400 4034.5204 20591.6200 14428.1558 224.3588 -203228.5842 2279.9795 0.0000 0.0000 52112.8348 -109557.1148 299.4932 -161669.9497 -109191.5645 299.3718 -154.0435 -123.1497 760662.0048 5.1076 5.0975 PRESSURE: 693600 385.013 -90.2757 124.52 -90.2763 -120.59 -28.3774 124.52 -28.3771 290.587 GPRESSURE: 693600 437.918 -110.707 111.084 -45.8685 -75.7175 -27.8388 128.521 70.4672 278.583 PRESSAVG: 693600 1.42479 -39.9028 -26.6209 -39.9027 51.1039 -32.1543 -26.6209 -32.1543 4.36506 GPRESSAVG: 693600 2.69773 -42.4532 -27.7346 -37.2211 49.7668 -32.8529 -26.3241 -31.8637 4.65303 TIMING: 693600 CPU: 2182.36, 0.00315278/step Wall: 2182.36, 0.00315278/step, 3.77143 hours remaining, 234.347656 MB of memory in use. ENERGY: 693600 3946.2631 20534.5035 14420.5185 237.9275 -203123.1051 2416.9335 0.0000 0.0000 52019.9713 -109546.9877 298.9595 -161566.9590 -109176.3236 299.6531 185.0036 213.5944 761535.9068 18.9646 19.0392 PRESSURE: 693800 83.4735 103.839 218.181 103.839 -53.6128 77.4006 218.181 77.4 -561.776 GPRESSURE: 693800 137.518 125.249 198.708 191.942 -108.653 29.472 299.69 98.8978 -474.683 PRESSAVG: 693800 39.2211 -46.3129 9.42974 -46.313 -21.4167 -0.17067 9.4298 -0.170582 -2.83282 GPRESSAVG: 693800 38.8648 -44.2395 10.8625 -46.643 -20.7478 -0.512312 9.81631 0.0735477 -2.67956 TIMING: 693800 CPU: 2182.99, 0.00315358/step Wall: 2182.99, 0.00315358/step, 3.77221 hours remaining, 234.347656 MB of memory in use. ENERGY: 693800 3921.0555 20482.6276 14418.8415 246.1301 -203464.5005 2651.8189 0.0000 0.0000 52087.7044 -109656.3226 299.3488 -161744.0270 -109288.2338 299.4914 -177.3050 -148.6062 761014.5994 4.9905 5.1458 PRESSURE: 694000 188.45 -96.7292 -160.822 -96.7287 12.0234 264.494 -160.821 264.494 225.312 GPRESSURE: 694000 132.387 -190.204 -162.895 -54.577 120.809 197.662 -75.4952 53.4202 255.474 PRESSAVG: 694000 59.3432 -67.7369 27.1683 -67.737 -10.178 36.3565 27.1684 36.3564 1.76476 GPRESSAVG: 694000 59.1718 -68.729 25.5827 -66.5674 -10.1908 37.1941 27.6078 33.2859 2.3929 TIMING: 694000 CPU: 2183.62, 0.00315012/step Wall: 2183.62, 0.00315012/step, 3.76789 hours remaining, 234.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 694000 3935.1879 20452.2872 14501.1650 249.4828 -203308.8184 2719.4641 0.0000 0.0000 52075.5482 -109375.6832 299.2789 -161451.2313 -109023.3660 299.9740 141.9284 169.5564 760683.0294 16.9767 17.1246 PRESSURE: 694200 135.789 5.44479 104.147 5.44554 -221.891 -88.6211 104.146 -88.6211 201.017 GPRESSURE: 694200 61.3558 -44.4252 55.9696 -43.7448 -60.081 -17.6212 41.4979 -29.4368 209.438 PRESSAVG: 694200 2.45983 -3.57969 -19.7878 -3.57967 1.09741 16.0648 -19.7878 16.0648 -8.83807 GPRESSAVG: 694200 1.81334 -2.16159 -19.3891 -3.79491 1.63313 15.8376 -19.8848 18.8528 -8.62031 TIMING: 694200 CPU: 2184.25, 0.00313808/step Wall: 2184.25, 0.00313808/step, 3.75331 hours remaining, 234.585938 MB of memory in use. ENERGY: 694200 3944.0643 20664.4091 14410.5821 244.5150 -202972.4157 2161.5094 0.0000 0.0000 52032.9619 -109514.3739 299.0341 -161547.3357 -109162.5258 299.2571 38.3052 70.2377 761219.6554 -1.7603 -1.7246 PRESSURE: 694400 -371.232 0.441705 -11.038 0.442539 -290.369 -187.522 -11.0377 -187.522 -477.608 GPRESSURE: 694400 -312.419 -35.1425 -20.3351 -20.218 -229.263 -103.55 -76.8073 -169.629 -508.919 PRESSAVG: 694400 28.8397 -6.46422 -6.54619 -6.46425 -16.3843 -35.9672 -6.5462 -35.9671 26.8754 GPRESSAVG: 694400 28.7173 -8.03972 -6.16286 -8.2982 -14.4666 -35.7569 -6.92485 -36.5903 24.7625 TIMING: 694400 CPU: 2184.88, 0.00316681/step Wall: 2184.88, 0.00316681/step, 3.7875 hours remaining, 234.554688 MB of memory in use. ENERGY: 694400 3934.8092 20424.7341 14403.8800 261.9251 -203550.3019 2539.9968 0.0000 0.0000 52161.5679 -109823.3889 299.7732 -161984.9568 -109464.3967 299.3228 -379.7364 -350.2005 760946.8483 13.1103 13.0044 PRESSURE: 694600 -37.5938 78.449 45.3815 78.4491 -25.3426 -80.7015 45.3815 -80.6999 219.427 GPRESSURE: 694600 62.5579 170.141 136.703 110.716 -10.5098 -31.3111 17.4504 -143.054 171.228 PRESSAVG: 694600 -90.5824 -64.4927 -12.4479 -64.4927 99.3876 -41.655 -12.4479 -41.6549 -0.24739 GPRESSAVG: 694600 -89.0774 -63.8426 -12.2838 -63.4788 97.4001 -41.2277 -12.7604 -42.3241 0.51236 TIMING: 694600 CPU: 2185.51, 0.00315208/step Wall: 2185.51, 0.00315208/step, 3.76971 hours remaining, 234.554688 MB of memory in use. ENERGY: 694600 3948.1632 20408.1926 14392.3557 241.3656 -203235.9516 2330.1082 0.0000 0.0000 52124.7927 -109790.9735 299.5619 -161915.7662 -109428.6274 298.6498 52.1635 74.4252 761091.4678 2.8526 2.9450 PRESSURE: 694800 -15.9947 -191 -112.721 -191 221.203 72.0627 -112.721 72.0622 84.2028 GPRESSURE: 694800 -32.5284 -187.926 -141.186 -254.46 251.681 -47.1827 -179.448 43.1605 147.559 PRESSAVG: 694800 -88.8206 -70.0478 22.323 -70.0478 25.6663 -11.6728 22.323 -11.6728 7.417 GPRESSAVG: 694800 -89.5432 -68.0987 21.9076 -69.7957 26.3035 -11.781 21.7268 -11.1557 7.78912 TIMING: 694800 CPU: 2186.14, 0.00315628/step Wall: 2186.14, 0.00315628/step, 3.77456 hours remaining, 234.554688 MB of memory in use. ENERGY: 694800 3874.1244 20584.2981 14404.1946 252.0210 -203074.4521 2476.5745 0.0000 0.0000 51817.5107 -109665.7288 297.7959 -161483.2395 -109311.6987 298.5256 96.4702 122.2372 761283.1719 -18.5791 -18.4835 PRESSURE: 695000 270.066 -25.0857 -77.2089 -25.0863 42.2975 -54.419 -77.2095 -54.4192 195.25 GPRESSURE: 695000 322.82 -32.9632 -141.114 -39.5137 46.4191 -76.5334 -68.5607 -29.5745 220.785 PRESSAVG: 695000 -26.3936 -26.2998 8.97447 -26.2998 33.2291 8.33418 8.9745 8.33413 17.0372 GPRESSAVG: 695000 -26.796 -27.388 9.57908 -27.1764 33.3048 7.17395 9.42965 8.11338 17.4783 TIMING: 695000 CPU: 2186.77, 0.00314284/step Wall: 2186.77, 0.00314284/step, 3.75832 hours remaining, 234.585938 MB of memory in use. ENERGY: 695000 4013.4926 20447.3880 14490.6079 247.0508 -203286.8709 2420.6790 0.0000 0.0000 52011.5610 -109656.0916 298.9112 -161667.6527 -109295.5215 298.3450 169.2045 196.6747 760195.4694 7.9576 7.9957 PRESSURE: 695200 67.7795 -111.539 45.1493 -111.539 247.292 -233.39 45.1491 -233.39 102.38 GPRESSURE: 695200 84.7399 -25.4994 54.8485 -76.2163 322.067 -210.108 -9.22878 -280.023 98.063 PRESSAVG: 695200 -19.9477 12.3059 42.9345 12.3059 53.8638 17.5914 42.9345 17.5915 -8.91966 GPRESSAVG: 695200 -19.8584 13.403 43.4308 11.089 54.6351 16.716 43.7188 18.7896 -9.85663 TIMING: 695200 CPU: 2187.41, 0.0031631/step Wall: 2187.41, 0.0031631/step, 3.78237 hours remaining, 234.585938 MB of memory in use. ENERGY: 695200 3947.9857 20379.4446 14387.9232 244.7987 -203567.4971 2600.4675 0.0000 0.0000 52129.2872 -109877.5903 299.5877 -162006.8775 -109527.3044 298.1324 139.1504 168.2899 760185.4130 8.3322 8.3067 PRESSURE: 695400 89.5778 -90.3911 133.623 -90.3919 -194.94 -55.242 133.624 -55.2408 -212.91 GPRESSURE: 695400 143.295 24.4247 83.2167 -113.248 -238.283 51.8266 98.513 -170.087 -150.846 PRESSAVG: 695400 3.22116 -76.9079 32.7466 -76.9079 -8.3246 29.2616 32.7467 29.2616 -0.775587 GPRESSAVG: 695400 4.5392 -77.0668 31.5815 -75.0708 -9.64733 30.2307 31.9156 29.4868 -0.760009 TIMING: 695400 CPU: 2188.03, 0.00314231/step Wall: 2188.03, 0.00314231/step, 3.75733 hours remaining, 234.585938 MB of memory in use. ENERGY: 695400 3940.8447 20393.1149 14435.5438 227.9943 -203583.6520 2513.9366 0.0000 0.0000 52006.1771 -110066.0407 298.8802 -162072.2177 -109697.6046 298.2147 -106.0905 -81.9449 760866.9266 -1.9597 -1.9560 PRESSURE: 695600 51.0269 -21.0326 -21.1192 -21.0324 245.892 -174.245 -21.1189 -174.244 -23.458 GPRESSURE: 695600 127.076 58.2023 24.1669 -98.5484 311.952 -175.004 -9.7371 13.0332 -57.8829 PRESSAVG: 695600 46.2256 -51.9826 24.6232 -51.9826 -13.0238 -0.580961 24.6232 -0.58091 -28.3754 GPRESSAVG: 695600 44.8096 -52.0017 25.1862 -52.9223 -11.7545 0.865077 25.7655 -1.58591 -27.7704 TIMING: 695600 CPU: 2188.66, 0.00315523/step Wall: 2188.66, 0.00315523/step, 3.7726 hours remaining, 234.585938 MB of memory in use. ENERGY: 695600 3967.6951 20452.9989 14432.2259 240.7747 -203957.4283 2828.7757 0.0000 0.0000 51990.8937 -110044.0643 298.7924 -162034.9580 -109675.8312 298.3033 91.1536 127.0481 758170.6785 1.6088 1.7616 PRESSURE: 695800 -189.021 -147.083 -10.3043 -147.084 -211.742 120.6 -10.3039 120.6 -434.742 GPRESSURE: 695800 -102.685 -139.28 1.77197 -125.558 -264.948 98.0428 -80.9101 73.9072 -391.293 PRESSAVG: 695800 53.9845 -91.4296 -12.1278 -91.4296 -49.8893 27.9132 -12.1277 27.9133 3.63589 GPRESSAVG: 695800 53.8757 -92.2779 -12.7114 -91.4014 -50.0046 26.183 -12.3114 29.7461 3.95145 TIMING: 695800 CPU: 2189.29, 0.00314934/step Wall: 2189.29, 0.00314934/step, 3.76538 hours remaining, 234.585938 MB of memory in use. ENERGY: 695800 3958.5219 20518.7711 14411.2872 253.9771 -203169.0854 2202.1496 0.0000 0.0000 51903.4025 -109920.9760 298.2896 -161824.3785 -109558.9354 298.7477 -278.5016 -252.9755 761489.0011 2.5770 2.6075 PRESSURE: 696000 -29.144 -52.633 107.912 -52.6327 111.058 108.08 107.913 108.08 -23.0433 GPRESSURE: 696000 69.6914 21.8295 128.9 -143.482 57.5602 158.081 -11.574 13.298 3.72345 PRESSAVG: 696000 14.5136 -51.6357 -55.5433 -51.6358 -15.6346 19.4496 -55.5433 19.4495 2.80334 GPRESSAVG: 696000 15.1285 -54.5632 -53.6237 -50.3501 -16.3721 21.1052 -58.6697 16.0409 2.85799 TIMING: 696000 CPU: 2189.92, 0.00314105/step Wall: 2189.92, 0.00314105/step, 3.7553 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 696000 3876.6144 20487.2282 14412.6366 247.1016 -203841.7302 2794.3047 0.0000 0.0000 52304.6061 -109719.2385 300.5953 -162023.8446 -109355.7013 298.6245 19.6237 43.6583 759701.4461 0.5608 0.5381 PRESSURE: 696200 91.5086 -22.4094 -104.792 -22.4098 -65.0924 -121.321 -104.793 -121.321 68.5347 GPRESSURE: 696200 117.445 -95.1729 -37.1216 24.0972 -49.1103 -108.136 -20.0701 -158.154 108.359 PRESSAVG: 696200 -56.8963 -23.4503 -4.41113 -23.4503 -17.786 -19.0683 -4.41107 -19.0684 14.7637 GPRESSAVG: 696200 -55.2816 -21.372 -4.47285 -24.6868 -16.914 -20.2166 -0.931265 -17.0719 12.3741 TIMING: 696200 CPU: 2190.55, 0.00314056/step Wall: 2190.55, 0.00314056/step, 3.75454 hours remaining, 234.585938 MB of memory in use. ENERGY: 696200 4043.2993 20328.6689 14406.3370 255.2478 -203086.4480 2201.8445 0.0000 0.0000 52077.6830 -109773.3676 299.2912 -161851.0506 -109403.7626 298.6695 31.6503 58.8979 759623.5301 -19.9729 -19.9405 LDB: ============= START OF LOAD BALANCING ============== 2202.95 LDB: ============== END OF LOAD BALANCING =============== 2202.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2202.95 LDB: ============= START OF LOAD BALANCING ============== 2203.27 LDB: Largest compute 7078 load 0.033960 is 17.3% of average load 0.195825 LDB: Average compute 0.004366 is 2.2% of average load 0.195825 LDB: TIME 2203.27 LOAD: AVG 0.195825 MAX 0.21481 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.648 MB LDB: TIME 2203.27 LOAD: AVG 0.195825 MAX 0.21481 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.648 MB LDB: TIME 2203.27 LOAD: AVG 0.195825 MAX 0.21481 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.648 MB LDB: ============== END OF LOAD BALANCING =============== 2203.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2203.28 PRESSURE: 696400 42.7292 10.4193 -156.819 10.4193 182.729 -147.166 -156.819 -147.166 415.826 GPRESSURE: 696400 19.2248 51.3393 -213.752 -16.009 353.549 -131.126 -161.054 -160.807 365.366 PRESSAVG: 696400 -37.3722 -42.8356 -20.5743 -42.8355 43.236 -6.68962 -20.5744 -6.6897 -3.90006 GPRESSAVG: 696400 -39.0847 -43.452 -21.4615 -42.998 43.0396 -6.07271 -22.4112 -6.99346 -1.55139 TIMING: 696400 CPU: 2191.2, 0.00322556/step Wall: 2191.2, 0.00322556/step, 3.85598 hours remaining, 234.218750 MB of memory in use. ENERGY: 696400 3920.6911 20479.4803 14383.0136 239.1761 -203169.7466 2506.5420 0.0000 0.0000 51959.4915 -109681.3520 298.6119 -161640.8434 -109313.7450 298.9477 213.7616 246.0467 760377.3715 0.6546 0.8012 PRESSURE: 696600 209.55 81.6859 53.7268 81.6873 322.091 68.0328 53.7268 68.0322 -36.8022 GPRESSURE: 696600 190.718 99.2742 18.1293 130.638 357.492 -8.79851 14.9731 162.511 17.1007 PRESSAVG: 696600 65.0897 29.318 55.3081 29.318 -34.2419 -6.71378 55.3081 -6.71368 4.11361 GPRESSAVG: 696600 65.6018 30.8517 54.0729 30.8456 -34.9845 -6.39424 58.2045 -6.25994 4.22485 TIMING: 696600 CPU: 2191.82, 0.00313913/step Wall: 2191.82, 0.00313913/step, 3.75248 hours remaining, 234.218750 MB of memory in use. ENERGY: 696600 3954.5965 20468.4965 14366.0976 246.3917 -203742.5551 2857.8144 0.0000 0.0000 52204.8388 -109644.3196 300.0219 -161849.1584 -109280.2559 298.9483 164.9463 188.4366 759918.0888 11.6538 11.6141 PRESSURE: 696800 -438.716 -22.5171 151.387 -22.5174 -166.626 208.751 151.387 208.751 -38.5735 GPRESSURE: 696800 -357.469 -38.9851 152.25 -45.9403 -181.484 228.348 60.1512 203.529 -27.4431 PRESSAVG: 696800 1.02745 -1.16641 30.8323 -1.16646 -27.7853 1.54098 30.8324 1.54099 -21.4537 GPRESSAVG: 696800 0.822969 -0.883361 31.7812 -1.15528 -27.6223 1.9178 27.9555 2.19605 -21.2991 TIMING: 696800 CPU: 2192.45, 0.00313102/step Wall: 2192.45, 0.00313102/step, 3.74261 hours remaining, 234.484375 MB of memory in use. ENERGY: 696800 3974.5523 20521.8654 14390.2186 267.3332 -203620.6154 2676.4903 0.0000 0.0000 52032.8573 -109757.2984 299.0335 -161790.1557 -109377.7873 299.1091 -214.6385 -188.7987 759948.2287 -16.0705 -16.0328 PRESSURE: 697000 -69.8409 35.6319 -215.595 35.6318 10.913 224.477 -215.594 224.476 189.402 GPRESSURE: 697000 56.0659 -64.3063 -184.418 -50.1339 -3.72406 97.6867 -123.985 163.8 168.661 PRESSAVG: 697000 -60.1325 -21.605 48.27 -21.605 24.1294 -13.0469 48.2701 -13.0469 -6.56412 GPRESSAVG: 697000 -58.4366 -23.8759 46.304 -23.1218 23.5243 -14.4604 50.3412 -16.7541 -7.7762 TIMING: 697000 CPU: 2193.08, 0.00312571/step Wall: 2193.08, 0.00312571/step, 3.7361 hours remaining, 234.484375 MB of memory in use. ENERGY: 697000 3927.1508 20469.7937 14441.8779 241.7438 -203327.4505 2436.0633 0.0000 0.0000 52231.2704 -109579.5507 300.1738 -161810.8211 -109210.0463 299.1262 43.4915 73.6677 761376.2280 -14.1891 -14.2295 PRESSURE: 697200 -63.5584 -15.9641 46.9508 -15.9631 81.5877 226.491 46.9506 226.491 32.9879 GPRESSURE: 697200 105.061 -89.8903 47.8067 24.2861 26.7106 197.572 73.9988 307.362 2.75951 PRESSAVG: 697200 6.84477 -11.1816 -9.11288 -11.1816 25.9882 30.8291 -9.11291 30.829 5.95266 GPRESSAVG: 697200 4.69844 -11.5657 -8.16589 -8.79107 27.2175 30.6854 -11.1568 34.4451 6.32792 TIMING: 697200 CPU: 2193.7, 0.00314209/step Wall: 2193.7, 0.00314209/step, 3.75549 hours remaining, 234.484375 MB of memory in use. ENERGY: 697200 4078.7596 20553.2306 14451.8518 233.2968 -203420.4623 2656.1545 0.0000 0.0000 51854.9692 -109592.1999 298.0112 -161447.1690 -109230.1461 299.0499 17.0057 44.8436 759887.4484 12.9285 12.7480 PRESSURE: 697400 -64.5416 -138.624 -5.58179 -138.625 -296.272 28.5121 -5.58122 28.5116 64.3342 GPRESSURE: 697400 -78.0515 10.7636 -83.9133 -236.457 -240.207 19.3893 67.5397 65.2495 129.08 PRESSAVG: 697400 -15.4255 18.8536 48.2442 18.8537 1.79961 13.7599 48.2442 13.7599 6.31737 GPRESSAVG: 697400 -15.1345 22.0963 48.4292 15.0079 1.15053 15.4478 47.6981 12.3321 6.41963 TIMING: 697400 CPU: 2194.33, 0.00314163/step Wall: 2194.33, 0.00314164/step, 3.75478 hours remaining, 234.484375 MB of memory in use. ENERGY: 697400 3952.4386 20247.3398 14422.8294 268.6180 -202852.3574 2223.4233 0.0000 0.0000 52088.2523 -109649.4560 299.3519 -161737.7083 -109279.4757 299.0875 -98.8264 -63.0594 760571.2329 -2.4362 -2.5215 PRESSURE: 697600 -509.368 72.206 -29.3849 72.2058 -182.032 -129.919 -29.3848 -129.919 -13.8078 GPRESSURE: 697600 -475.155 69.4967 52.5847 88.2376 -121.6 -159.515 -24.3579 -22.4068 -1.44826 PRESSAVG: 697600 3.6315 -32.0511 13.0362 -32.0511 -37.6543 -13.4073 13.0362 -13.4073 -22.168 GPRESSAVG: 697600 4.32563 -32.8393 12.4984 -29.7015 -38.5495 -13.9476 14.5935 -12.292 -21.79 TIMING: 697600 CPU: 2194.96, 0.00315479/step Wall: 2194.96, 0.0031548/step, 3.77033 hours remaining, 234.484375 MB of memory in use. ENERGY: 697600 3944.2746 20438.9006 14451.6105 258.0765 -202882.3801 2046.1539 0.0000 0.0000 52357.6709 -109385.6930 300.9003 -161743.3639 -109018.9956 299.0511 -235.0690 -199.4011 760747.9587 -18.7303 -18.6713 PRESSURE: 697800 537.506 -85.9634 -61.3762 -85.9641 130.736 -190.886 -61.3764 -190.886 173.435 GPRESSURE: 697800 519.154 -48.3997 -51.6148 -106.403 202.592 -219.137 -139.027 -321.587 212.295 PRESSAVG: 697800 57.5101 -26.2902 23.3306 -26.2902 -23.8491 29.3721 23.3306 29.3721 -5.74827 GPRESSAVG: 697800 56.6745 -26.5069 24.4447 -26.4052 -23.4992 28.6286 23.564 27.9311 -5.658 TIMING: 697800 CPU: 2195.59, 0.00314117/step Wall: 2195.59, 0.00314117/step, 3.75388 hours remaining, 234.484375 MB of memory in use. ENERGY: 697800 4055.3306 20654.6688 14451.0103 263.7444 -203238.1788 2389.1644 0.0000 0.0000 52074.4876 -109349.7726 299.2728 -161424.2602 -108991.9905 299.4192 280.5590 311.3468 760132.2472 9.3042 9.1724 PRESSURE: 698000 -222.873 102.315 230.687 102.315 419.682 33.4215 230.687 33.4211 171.419 GPRESSURE: 698000 -150.487 66.4727 226.124 110.931 493.836 -78.8794 163.412 95.9336 108.598 PRESSAVG: 698000 26.0874 -32.6799 33.8202 -32.6799 4.68471 -16.9165 33.8201 -16.9165 10.05 GPRESSAVG: 698000 26.6839 -32.8759 32.8096 -33.1515 4.22399 -17.6859 32.1291 -14.1408 9.99242 TIMING: 698000 CPU: 2196.22, 0.00315504/step Wall: 2196.22, 0.00315504/step, 3.77027 hours remaining, 234.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 698000 3981.4370 20550.1348 14445.4251 255.8615 -203468.0788 2661.8338 0.0000 0.0000 52146.2603 -109427.1264 299.6853 -161573.3867 -109064.6280 299.7232 122.7428 150.6491 761123.5157 13.6074 13.6334 PRESSURE: 698200 49.7816 -35.7428 -42.0005 -35.742 49.0274 -125.692 -42.0007 -125.693 239.489 GPRESSURE: 698200 11.7724 -14.6885 60.497 59.7131 108.153 -106.755 -50.9628 -180.61 281.395 PRESSAVG: 698200 -2.16334 -10.7564 18.7036 -10.7565 7.53892 18.6786 18.7036 18.6786 3.97375 GPRESSAVG: 698200 -2.95742 -7.82019 19.2681 -9.55413 8.97978 19.0944 21.2825 17.2548 3.35135 TIMING: 698200 CPU: 2196.85, 0.00313478/step Wall: 2196.85, 0.00313478/step, 3.74588 hours remaining, 234.484375 MB of memory in use. ENERGY: 698200 3949.6444 20583.3185 14453.4298 270.5207 -203541.8030 2537.1008 0.0000 0.0000 52247.8337 -109499.9551 300.2690 -161747.7888 -109131.5353 299.7638 112.7661 133.7734 759542.9597 3.1164 3.1246 PRESSURE: 698400 -448.188 -45.1656 52.5136 -45.1662 -180.338 -83.5919 52.5142 -83.5922 99.5617 GPRESSURE: 698400 -276.611 -22.9627 0.689732 -37.2613 -169.415 -164.603 -56.5597 -143.924 5.46198 PRESSAVG: 698400 -49.5393 40.0032 29.7649 40.0032 45.2188 -32.127 29.7649 -32.127 -6.90947 GPRESSAVG: 698400 -49.9895 38.3326 30.3346 39.5738 44.38 -30.1755 28.268 -33.4404 -5.93747 TIMING: 698400 CPU: 2197.48, 0.00316406/step Wall: 2197.48, 0.00316406/step, 3.7807 hours remaining, 234.484375 MB of memory in use. ENERGY: 698400 4015.7397 20552.6766 14410.3030 268.8191 -202993.4912 2426.3946 0.0000 0.0000 51859.4043 -109460.1539 298.0367 -161319.5582 -109101.1211 299.9384 -176.3214 -146.8547 761941.8079 -3.7433 -3.8490 PRESSURE: 698600 98.6704 18.5941 -176.983 18.5944 -16.0515 -60.6512 -176.983 -60.6516 -253.831 GPRESSURE: 698600 33.1889 89.722 -165.258 103.578 50.5068 -98.4245 -168.77 -14.2291 -152.08 PRESSAVG: 698600 21.7738 11.7308 -72.7489 11.7309 -7.97786 14.5665 -72.7489 14.5665 11.5054 GPRESSAVG: 698600 21.16 11.0136 -73.9295 13.0935 -7.77285 12.4304 -73.2171 14.6811 11.5561 TIMING: 698600 CPU: 2198.11, 0.00314737/step Wall: 2198.11, 0.00314737/step, 3.76058 hours remaining, 234.484375 MB of memory in use. ENERGY: 698600 4056.4964 20562.3144 14483.0512 260.2024 -203618.3808 2708.6108 0.0000 0.0000 52106.9230 -109440.7826 299.4592 -161547.7057 -109079.9609 299.7882 -57.0706 -22.7946 759172.8969 8.4338 8.3144 PRESSURE: 698800 -470.706 45.0702 124.032 45.0697 -34.1658 295.508 124.032 295.508 44.5565 GPRESSURE: 698800 -389.436 21.2807 42.4388 54.378 5.06111 266.399 0.693919 309.047 31.45 PRESSAVG: 698800 -34.537 -41.6555 29.8116 -41.6555 19.8401 41.1391 29.8116 41.1392 -16.1789 GPRESSAVG: 698800 -32.6476 -42.9913 29.779 -41.4751 19.6487 40.7211 32.4431 42.6841 -18.012 TIMING: 698800 CPU: 2198.74, 0.00314457/step Wall: 2198.74, 0.00314457/step, 3.75707 hours remaining, 234.484375 MB of memory in use. ENERGY: 698800 3978.9412 20536.5691 14458.1698 253.1845 -202783.4808 2131.9233 0.0000 0.0000 51913.2192 -109511.4737 298.3460 -161424.6930 -109151.9936 299.4889 -153.4383 -117.6416 761417.5621 -10.2919 -10.3370 PRESSURE: 699000 -188.37 -72.7356 251.577 -72.7354 150.67 -101.885 251.577 -101.884 29.1382 GPRESSURE: 699000 -113.774 -249.873 214.622 -46.304 86.8173 -81.9134 148.43 -137.889 98.2751 PRESSAVG: 699000 -43.0701 -20.4177 -5.00139 -20.4178 18.0545 -2.69907 -5.00137 -2.69907 16.0983 GPRESSAVG: 699000 -42.2196 -20.8807 -3.813 -20.2553 17.0343 -2.12869 -7.80966 -1.84085 16.4496 TIMING: 699000 CPU: 2199.37, 0.00313467/step Wall: 2199.37, 0.00313467/step, 3.74506 hours remaining, 234.484375 MB of memory in use. ENERGY: 699000 4003.8771 20627.2825 14472.0735 241.6348 -203568.5920 2659.8798 0.0000 0.0000 52017.8229 -109546.0212 298.9471 -161563.8442 -109172.2593 299.0693 -2.8540 23.7729 761195.2078 -2.9724 -2.9119 PRESSURE: 699200 12.4455 -374.3 -109.806 -374.3 -257.869 -200.744 -109.806 -200.742 41.8852 GPRESSURE: 699200 158.068 -212.242 -180.731 -328.331 -238.804 -169.602 -88.3475 -148.069 -53.9675 PRESSAVG: 699200 -41.1764 32.3461 18.0782 32.3462 49.5394 -44.3393 18.0783 -44.3393 -34.149 GPRESSAVG: 699200 -42.7648 34.6162 17.5829 31.5892 50.5959 -43.8929 18.433 -42.9176 -33.6119 TIMING: 699200 CPU: 2200, 0.00315408/step Wall: 2200, 0.00315408/step, 3.76807 hours remaining, 234.484375 MB of memory in use. ENERGY: 699200 4043.3896 20689.7518 14432.2894 239.9872 -203697.2730 2584.6290 0.0000 0.0000 52119.2765 -109587.9495 299.5302 -161707.2260 -109226.0795 299.0642 -67.8460 -44.9011 760836.7683 -8.5953 -8.5936 PRESSURE: 699400 340.24 -234.726 -102.027 -234.726 86.6215 -104.275 -102.027 -104.276 280.772 GPRESSURE: 699400 345.308 -170.554 -141.84 -189.672 262.588 -146.899 -104.837 -76.6144 182.301 PRESSAVG: 699400 -16.8056 26.9958 -40.9095 26.9959 -10.9382 -40.01 -40.9095 -40.01 0.83557 GPRESSAVG: 699400 -16.4891 26.5323 -42.8277 28.2216 -11.3117 -38.8297 -39.494 -43.0364 0.488786 TIMING: 699400 CPU: 2200.63, 0.00314117/step Wall: 2200.63, 0.00314117/step, 3.75248 hours remaining, 234.585938 MB of memory in use. ENERGY: 699400 3961.3021 20466.3778 14453.2314 246.4022 -203755.3170 2848.1479 0.0000 0.0000 52153.1595 -109626.6961 299.7249 -161779.8556 -109269.1558 299.5354 235.8776 263.3994 759064.5619 -8.9694 -9.1040 PRESSURE: 699600 189.964 -117.503 278.427 -117.503 24.1555 -213.805 278.427 -213.805 94.4352 GPRESSURE: 699600 183.777 13.831 254.859 -97.9579 106.51 -235.4 204.661 -211.918 87.3189 PRESSAVG: 699600 0.767697 -2.94255 -33.3006 -2.94252 33.7363 41.5589 -33.3005 41.5589 -14.0783 GPRESSAVG: 699600 0.633876 -1.77489 -32.6718 -5.97464 33.6099 39.3991 -32.0377 42.722 -14.113 TIMING: 699600 CPU: 2201.26, 0.00315485/step Wall: 2201.26, 0.00315485/step, 3.76864 hours remaining, 234.585938 MB of memory in use. ENERGY: 699600 3922.2947 20566.7263 14402.9262 229.1183 -203262.2515 2347.9739 0.0000 0.0000 52027.3548 -109765.8574 299.0019 -161793.2121 -109401.8936 299.2867 102.8514 125.8684 760251.6506 6.8086 6.7103 PRESSURE: 699800 -151.102 0.399831 42.1706 0.399308 -23.1566 -101.692 42.1714 -101.693 218.386 GPRESSURE: 699800 -173.237 -8.36063 20.5811 104.517 -1.39345 -29.9659 103.825 14.4935 284.538 PRESSAVG: 699800 -81.9142 -33.6845 -19.7738 -33.6845 53.7989 7.63758 -19.7738 7.63755 -5.24943 GPRESSAVG: 699800 -82.0802 -33.7798 -18.4178 -33.3113 54.2562 10.2934 -22.3006 8.42681 -5.36788 TIMING: 699800 CPU: 2201.89, 0.00317949/step Wall: 2201.89, 0.00317949/step, 3.7979 hours remaining, 234.585938 MB of memory in use. ENERGY: 699800 4001.3429 20507.7553 14460.5954 236.1317 -203331.4005 2575.7650 0.0000 0.0000 51950.4419 -109599.3682 298.5599 -161549.8101 -109235.5651 299.1574 14.7095 36.6358 759320.3127 -11.1216 -11.0640 PRESSURE: 700000 -470.427 45.8459 -32.2935 45.8458 -71.9419 195.425 -32.2926 195.426 -270.727 GPRESSURE: 700000 -442.067 106.662 -7.10752 81.3547 -76.5461 170.508 3.37877 206.877 -217.938 PRESSAVG: 700000 -10.9977 -33.7613 2.42296 -33.7613 -1.8079 -14.4641 2.4229 -14.4641 -2.31154 GPRESSAVG: 700000 -10.2406 -36.0549 4.85501 -31.7076 -2.61934 -15.8089 1.16246 -13.6865 -2.2618 TIMING: 700000 CPU: 2202.53, 0.00318162/step Wall: 2202.53, 0.00318162/step, 3.80027 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 700000 3970.2879 20600.3407 14345.3513 236.2104 -203157.0503 2417.2960 0.0000 0.0000 52035.2720 -109552.2920 299.0474 -161587.5640 -109190.7464 299.1936 -271.0317 -245.5170 762330.2911 -5.0391 -5.0406 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.011 seconds, 234.586 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 -37.6715 -60.5241 45.2057 -60.5245 276.774 72.0141 45.2063 72.0132 -326.895 GPRESSURE: 700200 -6.41543 -122.495 -49.5876 -32.5945 308.217 79.8911 51.1184 12.8271 -304.817 PRESSAVG: 700200 21.0067 -22.1561 -25.2891 -22.1561 -8.63485 59.0056 -25.2892 59.0056 17.0513 GPRESSAVG: 700200 19.9045 -19.0916 -27.9443 -24.2582 -7.70861 60.6832 -23.4242 55.8371 17.2366 TIMING: 700200 CPU: 2203.18, 0.00323224/step Wall: 2203.18, 0.00323224/step, 3.86055 hours remaining, 234.585938 MB of memory in use. ENERGY: 700200 4010.6586 20529.5611 14470.3248 247.0840 -203294.7250 2562.4373 0.0000 0.0000 51991.2006 -109483.4586 298.7941 -161474.6592 -109111.3897 299.1465 -29.2642 -1.0051 759641.0822 9.8077 9.8108 LDB: ============= START OF LOAD BALANCING ============== 2215.57 LDB: ============== END OF LOAD BALANCING =============== 2215.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2215.57 LDB: ============= START OF LOAD BALANCING ============== 2215.89 LDB: Largest compute 7056 load 0.033292 is 17.0% of average load 0.195785 LDB: Average compute 0.004377 is 2.2% of average load 0.195785 LDB: TIME 2215.89 LOAD: AVG 0.195785 MAX 0.213401 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.883 MB LDB: TIME 2215.89 LOAD: AVG 0.195785 MAX 0.213401 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.883 MB LDB: TIME 2215.89 LOAD: AVG 0.195785 MAX 0.213401 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.883 MB LDB: ============== END OF LOAD BALANCING =============== 2215.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2215.9 PRESSURE: 700400 -248.062 134.222 -136.296 134.224 -4.00338 88.481 -136.297 88.4818 -274.606 GPRESSURE: 700400 -197.256 102.103 -112.538 79.2721 42.6552 184.269 -63.0554 128.437 -282.891 PRESSAVG: 700400 16.4642 -34.4801 0.745161 -34.4802 29.6112 32.7546 0.745171 32.7546 -10.7071 GPRESSAVG: 700400 17.9943 -35.5665 2.69022 -33.9365 28.2824 32.0052 -0.146707 32.0126 -11.1244 TIMING: 700400 CPU: 2203.81, 0.00319476/step Wall: 2203.81, 0.00319476/step, 3.81561 hours remaining, 233.703125 MB of memory in use. ENERGY: 700400 3929.3358 20493.3159 14317.4129 232.1187 -203316.8306 2488.3178 0.0000 0.0000 52196.3235 -109660.0060 299.9730 -161856.3296 -109291.6399 299.2971 -175.5571 -145.8304 760704.5595 11.7894 11.7174 PRESSURE: 700600 -200.843 83.1987 0.659453 83.199 -62.3823 -144.385 0.660045 -144.385 -82.3827 GPRESSURE: 700600 -90.3715 104.41 -4.12013 62.2529 -89.5618 -140.872 -27.8222 -168.555 -73.7939 PRESSAVG: 700600 33.1872 -11.6768 -29.2687 -11.6768 -18.5471 -21.9652 -29.2687 -21.9652 25.1199 GPRESSAVG: 700600 32.5679 -9.45333 -30.2824 -9.26854 -18.5107 -23.9633 -27.8435 -17.3935 25.5853 TIMING: 700600 CPU: 2204.44, 0.0031284/step Wall: 2204.44, 0.0031284/step, 3.73618 hours remaining, 233.906250 MB of memory in use. ENERGY: 700600 3997.1055 20567.6418 14403.8791 239.7609 -203425.4198 2461.4084 0.0000 0.0000 51978.0285 -109777.5956 298.7184 -161755.6241 -109431.7260 298.8886 -115.2026 -84.5757 758932.1810 13.2533 13.2141 PRESSURE: 700800 -83.79 128.581 2.16927 128.581 -411.97 -164.907 2.16908 -164.907 -111.402 GPRESSURE: 700800 -59.316 52.6322 99.7158 125.412 -380.756 -81.6652 -83.6561 -181.169 -74.5159 PRESSAVG: 700800 28.6485 -79.4625 -27.5628 -79.4625 -11.1486 14.9478 -27.5628 14.9478 -1.79925 GPRESSAVG: 700800 29.2375 -81.9727 -29.0771 -81.845 -10.2948 16.4283 -25.965 14.1529 -3.66059 TIMING: 700800 CPU: 2205.07, 0.0031322/step Wall: 2205.07, 0.0031322/step, 3.74054 hours remaining, 233.976562 MB of memory in use. ENERGY: 700800 3973.3922 20529.3489 14439.6892 243.0083 -203401.4613 2409.5340 0.0000 0.0000 52002.9017 -109803.5869 298.8614 -161806.4887 -109437.5853 298.4061 -202.3874 -171.5291 760781.8768 5.2336 5.0940 PRESSURE: 701000 78.0852 101.438 -61.5077 101.439 163.72 45.9355 -61.5078 45.9363 -88.1501 GPRESSURE: 701000 106.134 105.266 15.6198 115.517 121.905 79.2831 -100.245 53.0283 -4.82046 PRESSAVG: 701000 -1.78223 -38.6484 -6.31826 -38.6484 -1.06035 -28.3696 -6.31829 -28.3696 22.5186 GPRESSAVG: 701000 -2.28949 -39.7693 -4.72752 -36.5578 -2.31522 -27.2253 -7.72336 -29.843 24.071 TIMING: 701000 CPU: 2205.69, 0.00313192/step Wall: 2205.69, 0.00313192/step, 3.74004 hours remaining, 233.976562 MB of memory in use. ENERGY: 701000 4027.3893 20519.3689 14466.4611 243.6519 -203059.2596 2268.3396 0.0000 0.0000 51832.7316 -109701.3171 297.8834 -161534.0487 -109363.8336 299.0980 51.2183 74.4060 759948.3907 6.5587 6.4888 PRESSURE: 701200 90.9177 -199.614 19.966 -199.614 284.657 -251.85 19.9655 -251.85 289.455 GPRESSURE: 701200 118.748 -170.924 -110.634 -140.157 354.886 -201.223 -38.6943 -285.105 261.892 PRESSAVG: 701200 3.70233 -34.2774 -2.2791 -34.2774 5.18833 7.52523 -2.27908 7.52516 -13.6241 GPRESSAVG: 701200 3.90013 -33.6395 -3.21996 -37.2795 5.8467 5.0755 -2.40805 8.98966 -14.0427 TIMING: 701200 CPU: 2206.32, 0.00315754/step Wall: 2206.32, 0.00315754/step, 3.77046 hours remaining, 234.203125 MB of memory in use. ENERGY: 701200 3931.6814 20352.3597 14296.6982 245.1365 -203618.4526 3008.7772 0.0000 0.0000 51893.8117 -109889.9879 298.2344 -161783.7996 -109517.6118 298.9512 221.6768 245.1754 760483.6244 -1.5778 -1.4319 PRESSURE: 701400 -161.755 64.4962 -0.386339 64.4958 327.086 -98.8639 -0.385273 -98.8636 -273.839 GPRESSURE: 701400 9.45463 26.4292 70.4773 -63.2868 294.444 -69.1882 47.9787 -43.5758 -309.805 PRESSAVG: 701400 -5.70777 -60.4092 -48.2649 -60.4092 14.5851 -51.5954 -48.2649 -51.5954 -12.844 GPRESSAVG: 701400 -6.73695 -60.945 -48.8081 -58.9145 15.9498 -51.3532 -47.4393 -51.7022 -12.6882 TIMING: 701400 CPU: 2206.96, 0.00316037/step Wall: 2206.96, 0.00316037/step, 3.77366 hours remaining, 234.218750 MB of memory in use. ENERGY: 701400 4009.7415 20374.3747 14428.0339 244.1083 -203399.1826 2400.5930 0.0000 0.0000 51933.8369 -110008.4944 298.4645 -161942.3312 -109642.2147 298.2953 -36.1694 -1.9689 760277.7854 -1.3222 -1.1584 PRESSURE: 701600 180.703 -5.08698 -67.8092 -5.08734 185.09 -165.824 -67.8096 -165.824 94.6812 GPRESSURE: 701600 147.323 -95.8838 -64.4357 8.1547 242.037 -139.464 -71.6212 -46.4398 155.857 PRESSAVG: 701600 -39.655 -51.4099 5.78687 -51.4099 -12.1598 -35.7202 5.78695 -35.7202 -11.5228 GPRESSAVG: 701600 -39.5656 -49.1301 5.97581 -53.0593 -11.8908 -33.9937 4.60389 -36.3754 -12.2611 TIMING: 701600 CPU: 2207.59, 0.00315029/step Wall: 2207.59, 0.00315029/step, 3.76144 hours remaining, 234.218750 MB of memory in use. ENERGY: 701600 3928.0984 20474.7948 14420.6161 238.0994 -203589.9550 2412.3750 0.0000 0.0000 52069.8836 -110046.0878 299.2463 -162115.9714 -109666.2059 297.8655 153.4916 181.7391 760262.8115 -21.1125 -21.2392 PRESSURE: 701800 -129.708 -112.837 124.108 -112.838 42.4876 39.1992 124.107 39.1989 -165.035 GPRESSURE: 701800 -79.4171 18.9413 61.7699 -115.109 138.689 114.767 335.623 106.968 -235.013 PRESSAVG: 701800 28.6574 -54.732 -5.09937 -54.732 29.2769 -32.0873 -5.0994 -32.0873 22.6871 GPRESSAVG: 701800 30.1109 -55.0528 -3.86914 -51.6167 28.1049 -32.6462 -3.40485 -31.515 22.8586 TIMING: 701800 CPU: 2208.22, 0.0031501/step Wall: 2208.22, 0.0031501/step, 3.76105 hours remaining, 234.218750 MB of memory in use. ENERGY: 701800 3955.1614 20539.2711 14454.9337 216.5670 -203357.7379 2279.0730 0.0000 0.0000 51881.4536 -110031.2780 298.1634 -161912.7317 -109670.0847 298.0487 -84.0851 -58.5802 762556.2683 26.8738 27.0248 PRESSURE: 702000 -44.0197 64.76 -152.955 64.76 70.73 -169.325 -152.955 -169.326 194.235 GPRESSURE: 702000 104.997 8.88558 -205.582 53.4003 19.3902 -68.1345 -256.762 -195.833 181.77 PRESSAVG: 702000 -56.5234 -32.1544 -28.1846 -32.1544 5.94968 -43.9346 -28.1846 -43.9346 -5.16159 GPRESSAVG: 702000 -56.7796 -34.4983 -29.1406 -31.9924 4.73127 -43.5879 -28.1084 -43.8273 -4.06596 TIMING: 702000 CPU: 2208.85, 0.0031495/step Wall: 2208.85, 0.0031495/step, 3.76015 hours remaining, 234.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 702000 4017.7368 20636.3408 14454.8234 253.2337 -203703.0285 2659.6187 0.0000 0.0000 51920.9901 -109760.2850 298.3906 -161681.2751 -109406.4756 298.6460 73.6486 102.0525 761067.0682 -18.5784 -18.7048 PRESSURE: 702200 80.8948 120.052 160.773 120.052 346.683 139.174 160.772 139.175 -27.0824 GPRESSURE: 702200 -34.8193 -22.6767 123.733 14.5881 458.101 88.0519 88.346 97.8988 69.2636 PRESSAVG: 702200 -23.6291 -13.2614 8.99929 -13.2614 67.262 23.4549 8.99928 23.455 -4.29636 GPRESSAVG: 702200 -24.496 -12.3968 10.9162 -14.9709 68.4932 21.6171 8.03083 22.8842 -4.46278 TIMING: 702200 CPU: 2209.48, 0.00315459/step Wall: 2209.48, 0.00315459/step, 3.76605 hours remaining, 234.218750 MB of memory in use. ENERGY: 702200 3978.4570 20505.8755 14498.4932 243.5154 -203368.8404 2533.4254 0.0000 0.0000 52077.3988 -109531.6750 299.2895 -161609.0738 -109164.1662 299.0806 133.4983 164.1817 760706.3197 13.1122 13.1781 PRESSURE: 702400 216.299 9.31828 -40.6437 9.31881 123.113 60.044 -40.6438 60.0434 269.344 GPRESSURE: 702400 280.775 -15.6953 23.4545 55.1022 158.445 154.842 -138.024 -24.7281 275.554 PRESSAVG: 702400 -26.7007 -48.4545 -40.282 -48.4546 54.9493 -4.51816 -40.282 -4.51815 31.35 GPRESSAVG: 702400 -27.6326 -48.3061 -42.6694 -48.8964 55.3848 -3.72116 -37.0313 -4.95197 31.1297 TIMING: 702400 CPU: 2210.11, 0.00314463/step Wall: 2210.11, 0.00314463/step, 3.75399 hours remaining, 234.218750 MB of memory in use. ENERGY: 702400 3999.1338 20288.4390 14418.4713 221.4829 -203798.1437 2805.5637 0.0000 0.0000 52487.7623 -109577.2909 301.6479 -162065.0531 -109199.4509 299.4595 202.9185 238.2580 760258.2290 19.8662 19.6273 PRESSURE: 702600 -245.566 -284.517 -164.383 -284.516 90.2766 -107.915 -164.384 -107.915 -206.447 GPRESSURE: 702600 -178.883 -247.672 -84.0038 -267.272 56.3719 -47.4092 -234.199 -121.666 -139.812 PRESSAVG: 702600 -72.6544 -63.2905 -44.1467 -63.2905 45.401 6.7957 -44.1468 6.79566 13.2038 GPRESSAVG: 702600 -71.0067 -61.5705 -42.47 -61.2686 44.1533 7.32184 -48.1989 7.2785 12.7925 TIMING: 702600 CPU: 2210.74, 0.0031567/step Wall: 2210.74, 0.00315669/step, 3.76822 hours remaining, 234.187500 MB of memory in use. ENERGY: 702600 4016.6167 20584.4569 14453.1065 238.0443 -202959.8347 2292.0608 0.0000 0.0000 51678.9863 -109696.5633 296.9998 -161375.5496 -109337.4174 298.7728 -120.5787 -87.4409 761615.6079 -4.6832 -4.6870 PRESSURE: 702800 167.108 -10.2785 37.6477 -10.2792 -17.431 42.6093 37.6477 42.6094 90.9881 GPRESSURE: 702800 203.619 -78.3428 46.4935 -84.505 71.7834 -14.1417 48.4085 -28.827 75.0777 PRESSAVG: 702800 -51.686 -60.8802 1.90559 -60.8802 47.3757 -23.456 1.90556 -23.456 18.862 GPRESSAVG: 702800 -52.6438 -60.8101 1.68035 -61.9824 47.9382 -23.5551 3.85999 -25.0839 19.3699 TIMING: 702800 CPU: 2211.37, 0.00315827/step Wall: 2211.37, 0.00315827/step, 3.76993 hours remaining, 234.187500 MB of memory in use. ENERGY: 702800 3937.9979 20467.6674 14451.6062 243.6283 -203257.3494 2569.8504 0.0000 0.0000 51666.9551 -109919.6441 296.9307 -161586.5992 -109566.1548 298.1686 80.2217 116.8268 761641.3707 4.8506 4.8881 PRESSURE: 703000 11.1734 1.43447 13.1178 1.43502 -106.659 50.7303 13.1171 50.7308 165.405 GPRESSURE: 703000 109.721 -37.7964 -120.079 6.76137 -107.621 12.1188 -28.6637 191.971 154.694 PRESSAVG: 703000 -48.8079 -26.1123 -10.1316 -26.1122 0.205447 -31.5264 -10.1316 -31.5264 15.4176 GPRESSAVG: 703000 -47.2811 -28.9721 -11.1226 -25.4616 -0.0967813 -31.5489 -10.7041 -29.5153 14.4464 TIMING: 703000 CPU: 2212, 0.00314736/step Wall: 2212, 0.00314736/step, 3.75672 hours remaining, 234.187500 MB of memory in use. ENERGY: 703000 3947.7842 20588.6564 14441.2799 234.0461 -203382.5172 2665.0424 0.0000 0.0000 51914.2555 -109591.4527 298.3519 -161505.7083 -109227.8014 298.4156 23.3063 52.2649 762651.3822 -11.0616 -10.9771 PRESSURE: 703200 344.695 -88.237 -16.479 -88.2372 311.58 -93.2662 -16.479 -93.2673 324.439 GPRESSURE: 703200 392.199 -98.1385 0.270196 -173.597 283.322 0.1119 -67.9198 -96.9702 391.839 PRESSAVG: 703200 -10.9502 -33.8759 -22.9013 -33.8759 20.4042 15.7641 -22.9013 15.7641 -1.21443 GPRESSAVG: 703200 -12.4453 -32.9577 -22.7577 -34.1014 20.6637 15.9327 -24.2806 16.4884 -0.190468 TIMING: 703200 CPU: 2212.63, 0.00315582/step Wall: 2212.63, 0.00315582/step, 3.76665 hours remaining, 234.187500 MB of memory in use. ENERGY: 703200 4063.4738 20511.7876 14427.9569 235.7711 -203469.0995 2749.7116 0.0000 0.0000 51851.9380 -109628.4604 297.9938 -161480.3984 -109277.2314 298.6479 326.9045 355.7867 760416.6195 2.7465 2.6760 PRESSURE: 703400 -114.315 -173.826 -142.669 -173.827 14.8533 -220.989 -142.668 -220.989 -32.8991 GPRESSURE: 703400 -143.771 -196.695 -129.122 -165.34 81.2563 -210.665 -65.7074 -325.641 26.7548 PRESSAVG: 703400 -67.6255 -19.3695 -27.5866 -19.3695 50.7624 -37.6167 -27.5865 -37.6167 14.7746 GPRESSAVG: 703400 -66.5234 -18.9533 -28.3236 -18.3518 50.2599 -38.9881 -26.0464 -39.3265 13.9019 TIMING: 703400 CPU: 2213.26, 0.00314024/step Wall: 2213.26, 0.00314024/step, 3.74787 hours remaining, 234.187500 MB of memory in use. ENERGY: 703400 3984.8756 20562.3553 14501.5687 261.9545 -203465.5547 2645.6212 0.0000 0.0000 52094.7803 -109414.3991 299.3894 -161509.1794 -109051.8102 299.0196 -44.1202 -11.9199 761035.0590 -0.6962 -0.7872 PRESSURE: 703600 -329.742 -286.793 10.958 -286.793 -421.702 -98.8919 10.9578 -98.8924 11.2589 GPRESSURE: 703600 -304.081 -225.507 24.3362 -179.946 -317.967 -79.4687 10.0412 -239.387 -28.243 PRESSAVG: 703600 7.1392 -28.3847 -52.2661 -28.3846 -18.2317 15.1018 -52.2662 15.1019 15.4756 GPRESSAVG: 703600 7.33793 -29.9449 -50.9583 -29.0807 -18.4893 15.7342 -51.9747 14.2226 15.7236 TIMING: 703600 CPU: 2213.89, 0.00313302/step Wall: 2213.89, 0.00313302/step, 3.73909 hours remaining, 234.187500 MB of memory in use. ENERGY: 703600 3951.7678 20402.5670 14431.2841 242.0901 -202735.2146 2221.0930 0.0000 0.0000 52193.9214 -109292.4911 299.9592 -161486.4125 -108928.0633 299.3496 -246.7285 -216.7637 762687.1132 1.4610 1.5241 PRESSURE: 703800 -492.173 -258.594 90.318 -258.594 -228.469 -15.3376 90.3171 -15.3369 -383.158 GPRESSURE: 703800 -461.341 -224.265 149.441 -255.881 -247.94 -47.5409 -151.486 88.2576 -318.116 PRESSAVG: 703800 -44.7494 -78.9275 -40.8489 -78.9275 55.4378 -11.1822 -40.8489 -11.1822 -4.76516 GPRESSAVG: 703800 -46.0498 -76.3801 -41.475 -80.8865 56.7132 -12.8479 -42.0173 -10.2259 -4.77922 TIMING: 703800 CPU: 2214.51, 0.00313474/step Wall: 2214.51, 0.00313474/step, 3.74096 hours remaining, 234.187500 MB of memory in use. ENERGY: 703800 3938.6816 20629.8593 14411.6659 235.6612 -203095.5718 2353.3524 0.0000 0.0000 52143.6050 -109382.7464 299.6700 -161526.3514 -109032.3433 299.4474 -367.9335 -342.4655 764282.5808 1.9744 1.9614 PRESSURE: 704000 30.5325 -24.7121 49.8404 -24.7127 241.074 157.663 49.8404 157.662 336.071 GPRESSURE: 704000 126.169 -123.496 57.8196 57.3483 238.395 133.235 78.571 77.3038 339.785 PRESSAVG: 704000 -58.4557 -27.6697 -7.49872 -27.6698 -1.91656 -36.3072 -7.49877 -36.3074 25.8269 GPRESSAVG: 704000 -56.5349 -28.5665 -8.01216 -25.8936 -3.76379 -35.3742 -7.42982 -34.6106 25.8443 TIMING: 704000 CPU: 2215.14, 0.00314777/step Wall: 2215.14, 0.00314777/step, 3.75634 hours remaining, 234.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 704000 3955.9278 20570.7450 14497.5181 262.5632 -203158.2662 2585.9088 0.0000 0.0000 51868.5008 -109417.1025 298.0890 -161285.6033 -109054.1064 299.0119 202.5592 234.7829 762270.5122 -11.5151 -11.4848 PRESSURE: 704200 39.3824 -140.189 -71.0381 -140.189 -179.771 -95.937 -71.0386 -95.9367 86.7038 GPRESSURE: 704200 55.9136 -54.4984 -144.04 -83.7484 -123.715 -209.165 -70.459 -141.389 108.796 PRESSAVG: 704200 -84.6891 -30.7328 -39.1959 -30.7328 64.619 18.7737 -39.196 18.7737 12.8671 GPRESSAVG: 704200 -86.4972 -32.0985 -40.103 -28.3832 65.9131 18.6908 -35.8587 16.1061 12.6858 TIMING: 704200 CPU: 2215.78, 0.00316793/step Wall: 2215.78, 0.00316793/step, 3.78022 hours remaining, 234.187500 MB of memory in use. ENERGY: 704200 3989.6350 20431.8959 14490.6178 250.6080 -203345.6369 2673.5132 0.0000 0.0000 52192.1702 -109317.1967 299.9491 -161509.3669 -108957.0757 299.6632 -17.8950 13.6648 764083.3515 -2.4010 -2.6328 LDB: ============= START OF LOAD BALANCING ============== 2228.17 LDB: ============== END OF LOAD BALANCING =============== 2228.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2228.18 LDB: ============= START OF LOAD BALANCING ============== 2228.49 LDB: Largest compute 7078 load 0.031443 is 16.1% of average load 0.195705 LDB: Average compute 0.004390 is 2.2% of average load 0.195705 LDB: TIME 2228.5 LOAD: AVG 0.195705 MAX 0.214147 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.93 MB LDB: TIME 2228.5 LOAD: AVG 0.195705 MAX 0.214147 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: TIME 2228.5 LOAD: AVG 0.195705 MAX 0.214147 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: ============== END OF LOAD BALANCING =============== 2228.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2228.5 PRESSURE: 704400 -44.916 5.22516 80.8703 5.22571 27.7825 163.495 80.8711 163.495 392.403 GPRESSURE: 704400 44.9507 -33.8527 16.7356 75.904 45.7899 186.731 120.771 63.5696 378.882 PRESSAVG: 704400 -63.6364 -25.762 25.8098 -25.762 56.6933 10.5528 25.8097 10.5527 -3.2307 GPRESSAVG: 704400 -63.5908 -23.5407 26.7732 -28.4299 55.2813 11.304 24.0839 11.8881 -2.36682 TIMING: 704400 CPU: 2216.42, 0.00323002/step Wall: 2216.42, 0.00323002/step, 3.85413 hours remaining, 232.710938 MB of memory in use. ENERGY: 704400 3951.6465 20498.4351 14479.6280 238.2553 -202936.7261 2684.2100 0.0000 0.0000 51929.3955 -109155.1558 298.4389 -161084.5513 -108803.3853 299.8212 125.0897 156.5410 763134.2334 -3.3913 -3.5588 PRESSURE: 704600 -439.416 -71.8331 67.7603 -71.8333 -69.3109 79.0996 67.7601 79.1002 146.703 GPRESSURE: 704600 -305.593 -142.005 22.0506 -12.1016 -117.204 -25.611 164.038 160.875 132.506 PRESSAVG: 704600 -31.1055 -50.0374 -0.151295 -50.0373 52.6402 11.8252 -0.151279 11.8253 19.6876 GPRESSAVG: 704600 -31.0638 -51.3369 -0.121733 -49.9666 52.6148 13.4304 -1.60606 11.1314 18.8616 TIMING: 704600 CPU: 2217.05, 0.00316064/step Wall: 2217.05, 0.00316064/step, 3.77117 hours remaining, 232.765625 MB of memory in use. ENERGY: 704600 4039.5283 20598.1989 14532.2196 239.4464 -203404.7460 2657.9286 0.0000 0.0000 52414.4074 -108923.0169 301.2263 -161337.4242 -108558.1766 299.9102 -120.6746 -96.7639 762586.8480 13.7408 13.4709 PRESSURE: 704800 -67.8462 -143.75 -261.819 -143.751 -76.0492 -93.6927 -261.82 -93.6926 -130.303 GPRESSURE: 704800 -52.2022 -90.231 -249.116 -81.7366 -22.4683 -44.5909 -340.606 -133.481 -87.2601 PRESSAVG: 704800 -14.5567 -39.7493 -38.4176 -39.7493 -11.9471 25.1958 -38.4176 25.1959 2.16036 GPRESSAVG: 704800 -13.8573 -38.7539 -37.8288 -38.7385 -12.6116 23.7244 -38.7301 24.6574 3.09769 TIMING: 704800 CPU: 2217.68, 0.00315544/step Wall: 2217.68, 0.00315544/step, 3.76479 hours remaining, 232.765625 MB of memory in use. ENERGY: 704800 4010.8269 20583.7848 14423.6098 238.7893 -203281.3573 2613.6686 0.0000 0.0000 52329.0121 -109081.6660 300.7356 -161410.6780 -108716.8748 300.4785 -91.3996 -53.9769 761200.9982 -8.1145 -7.7904 PRESSURE: 705000 -129.77 -63.4119 -130.736 -63.4121 12.3414 14.9799 -130.735 14.9784 -26.4246 GPRESSURE: 705000 -223.103 -106.416 -17.9415 -73.5923 143.698 23.5821 -79.9666 -53.1142 4.6613 PRESSAVG: 705000 -42.4017 -86.0631 17.8178 -86.0631 27.3843 -15.9129 17.8178 -15.9129 -10.1189 GPRESSAVG: 705000 -44.641 -87.0911 17.6404 -86.6336 29.0474 -16.1985 18.9188 -15.8211 -9.61073 TIMING: 705000 CPU: 2218.31, 0.00314195/step Wall: 2218.31, 0.00314195/step, 3.74852 hours remaining, 232.765625 MB of memory in use. ENERGY: 705000 3928.3478 20577.0532 14509.3742 253.4553 -202800.5370 2377.8780 0.0000 0.0000 52243.8248 -108910.6037 300.2460 -161154.4285 -108540.4256 300.1139 -47.9512 -24.9145 763435.9828 -8.3788 -8.4014 PRESSURE: 705200 -8.37627 -1.63693 -201.139 -1.63744 260.014 56.7445 -201.139 56.7439 265.034 GPRESSURE: 705200 -57.6998 -30.0379 -193.312 -50.9595 352.22 10.7037 -117.16 132.124 334.033 PRESSAVG: 705200 -64.0926 -8.35596 -52.9506 -8.35592 65.5531 -9.51916 -52.9507 -9.51916 37.441 GPRESSAVG: 705200 -63.23 -7.97572 -53.6681 -7.9977 65.3016 -9.6331 -54.8462 -7.28581 36.4659 TIMING: 705200 CPU: 2218.94, 0.00313124/step Wall: 2218.94, 0.00313124/step, 3.73557 hours remaining, 232.867188 MB of memory in use. ENERGY: 705200 3957.8543 20692.4091 14421.7065 249.3476 -203194.8972 2762.8769 0.0000 0.0000 52106.1638 -109004.5389 299.4548 -161110.7027 -108646.5872 300.1384 172.2237 209.5177 761098.5043 12.9672 12.8458 PRESSURE: 705400 12.297 -57.105 32.8466 -57.1054 -240.524 -235.877 32.8465 -235.877 -35.947 GPRESSURE: 705400 -51.1261 -113.838 38.3965 -17.8804 -197.26 -234.519 90.2808 -256.208 75.6207 PRESSAVG: 705400 -70.6533 -27.9082 11.5045 -27.9082 95.0431 8.57728 11.5045 8.57723 -12.3704 GPRESSAVG: 705400 -72.2121 -28.3686 13.2777 -27.2747 95.3967 7.58847 10.87 6.34928 -10.9305 TIMING: 705400 CPU: 2219.56, 0.00312725/step Wall: 2219.56, 0.00312725/step, 3.73063 hours remaining, 232.867188 MB of memory in use. ENERGY: 705400 3978.8167 20579.8446 14477.7695 254.2002 -202888.5127 2458.9763 0.0000 0.0000 52197.6462 -108941.2593 299.9806 -161138.9055 -108576.6097 300.0405 -88.0580 -57.5886 761628.1858 4.0064 4.0847 PRESSURE: 705600 -188.587 -0.146906 59.0856 -0.146952 -97.9393 132.009 59.0859 132.009 -131.421 GPRESSURE: 705600 -126.95 50.0034 -18.7741 -57.4459 -90.7433 132.268 30.9711 46.5408 -125.527 PRESSAVG: 705600 -21.6053 -12.5601 1.11836 -12.56 -10.7964 -21.5226 1.1183 -21.5227 27.1973 GPRESSAVG: 705600 -20.1982 -12.7861 -1.59969 -12.1701 -11.6637 -21.2019 4.82228 -21.5976 26.9597 TIMING: 705600 CPU: 2220.19, 0.00313718/step Wall: 2220.19, 0.00313718/step, 3.74231 hours remaining, 232.867188 MB of memory in use. ENERGY: 705600 3975.4078 20676.9744 14358.4211 254.0347 -203087.2967 2423.6434 0.0000 0.0000 52379.7229 -109019.0925 301.0270 -161398.8154 -108648.3921 300.1978 -139.3156 -114.4066 762427.1534 -1.7348 -1.6341 PRESSURE: 705800 123.498 -101.953 159.302 -101.952 -35.9597 85.984 159.303 85.9844 -47.7042 GPRESSURE: 705800 213.571 -95.7161 171.548 -115.116 19.5359 182.803 142.115 -7.86519 -111.919 PRESSAVG: 705800 -0.10401 -29.81 9.16419 -29.81 -20.1671 33.1659 9.16419 33.1659 3.90554 GPRESSAVG: 705800 -1.13462 -29.9739 9.94809 -31.4386 -20.1427 34.253 7.11981 32.6531 4.37435 TIMING: 705800 CPU: 2220.82, 0.00312856/step Wall: 2220.82, 0.00312856/step, 3.73185 hours remaining, 232.867188 MB of memory in use. ENERGY: 705800 3983.1727 20528.6676 14418.1925 240.7520 -203127.1740 2447.3850 0.0000 0.0000 52206.4382 -109302.5659 300.0311 -161509.0042 -108920.9764 299.6849 13.2782 40.3959 761124.4241 -5.4552 -5.6343 PRESSURE: 706000 164.777 55.1891 26.5348 55.19 -94.8927 180.367 26.5345 180.366 122.975 GPRESSURE: 706000 231.689 145.121 69.2581 28.2642 -61.2803 144.186 11.8343 146.524 129.144 PRESSAVG: 706000 94.781 -29.7071 54.4487 -29.7071 -77.2287 18.3087 54.4486 18.3086 -17.5495 GPRESSAVG: 706000 94.9066 -29.3689 53.8549 -28.2545 -77.5108 17.71 54.754 18.0523 -17.7138 TIMING: 706000 CPU: 2221.44, 0.00313196/step Wall: 2221.44, 0.00313196/step, 3.73573 hours remaining, 232.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 706000 3902.6064 20414.6218 14383.0662 228.7399 -202809.7800 2312.0946 0.0000 0.0000 52089.7864 -109478.8647 299.3607 -161568.6512 -109109.6079 298.9823 64.2863 99.8508 761601.1683 0.0009 -0.1060 PRESSURE: 706200 -88.8579 132.494 33.8795 132.495 90.3849 141.096 33.8785 141.096 -327.565 GPRESSURE: 706200 11.6113 116.929 11.0758 39.8581 16.8947 83.332 1.63512 238.545 -269.475 PRESSAVG: 706200 -12.3554 -26.4355 1.19303 -26.4356 24.3779 32.6829 1.19301 32.683 0.371704 GPRESSAVG: 706200 -11.638 -27.2338 3.02292 -25.9187 23.3042 32.4001 -0.389736 34.1018 1.02083 TIMING: 706200 CPU: 2222.07, 0.00314349/step Wall: 2222.07, 0.00314349/step, 3.7493 hours remaining, 232.867188 MB of memory in use. ENERGY: 706200 4015.9135 20454.1467 14425.7710 255.2365 -203504.2911 2703.0054 0.0000 0.0000 51965.0993 -109685.1188 298.6441 -161650.2180 -109324.3961 298.8768 -108.6794 -80.3230 761266.1648 4.1314 4.2290 PRESSURE: 706400 -173.109 -215.823 83.9036 -215.822 -143.732 -46.705 83.9041 -46.706 -391.687 GPRESSURE: 706400 -184.915 -173.531 85.869 -201.195 -59.5627 -25.7482 -100.668 -15.3845 -387.155 PRESSAVG: 706400 25.2669 -59.0334 -14.1071 -59.0333 11.7826 35.5039 -14.1071 35.5039 18.5062 GPRESSAVG: 706400 24.4141 -58.8361 -14.4523 -60.0681 13.6506 34.6978 -14.6418 35.1876 17.4669 TIMING: 706400 CPU: 2222.7, 0.00314018/step Wall: 2222.7, 0.00314018/step, 3.74519 hours remaining, 232.867188 MB of memory in use. ENERGY: 706400 4030.5690 20396.5612 14531.7805 247.5255 -203122.9687 2493.0812 0.0000 0.0000 51812.2956 -109611.1556 297.7660 -161423.4512 -109261.2693 298.6769 -236.1759 -210.5441 761703.6765 18.5186 18.5105 PRESSURE: 706600 278.037 -74.1988 33.3983 -74.1999 25.2415 71.5736 33.3984 71.5745 -143.435 GPRESSURE: 706600 231.459 -175.775 74.2748 -7.18272 136.881 -36.1733 22.6246 -2.20174 -112.617 PRESSAVG: 706600 -9.81189 -45.2127 -4.27803 -45.2127 34.4343 -22.1843 -4.2781 -22.1843 7.88928 GPRESSAVG: 706600 -10.2641 -45.9021 -5.13828 -43.7131 34.8761 -23.1266 -1.55627 -20.4389 7.81799 TIMING: 706600 CPU: 2223.33, 0.0031416/step Wall: 2223.33, 0.0031416/step, 3.74671 hours remaining, 232.867188 MB of memory in use. ENERGY: 706600 3942.8407 20459.2518 14575.5728 266.1028 -203432.1879 2658.3295 0.0000 0.0000 52005.8260 -109524.2643 298.8782 -161530.0904 -109168.8575 298.7048 53.2810 85.2409 759782.3212 10.8372 10.8100 PRESSURE: 706800 -1.88385 225.63 -169.06 225.629 -95.755 2.70192 -169.06 2.70207 172.306 GPRESSURE: 706800 35.6636 132 -236.203 131.491 -74.3566 -25.4874 -191.921 40.2447 187.058 PRESSAVG: 706800 5.584 -51.0579 -82.1397 -51.0579 -20.0192 -29.6659 -82.1397 -29.666 -10.6083 GPRESSAVG: 706800 7.57366 -50.4438 -83.7199 -50.876 -21.4132 -27.4601 -84.6591 -32.8664 -11.086 TIMING: 706800 CPU: 2223.96, 0.00314733/step Wall: 2223.96, 0.00314733/step, 3.75337 hours remaining, 232.867188 MB of memory in use. ENERGY: 706800 3971.4600 20483.9906 14422.3610 255.1807 -202985.9339 2374.5961 0.0000 0.0000 52043.6363 -109434.7093 299.0955 -161478.3456 -109074.4978 298.9171 24.8892 49.4551 760824.3392 -8.3478 -8.3085 PRESSURE: 707000 145.064 35.5322 121.82 35.532 -105.462 -135.044 121.821 -135.045 181.847 GPRESSURE: 707000 210.087 -9.53483 124.491 77.2407 15.3608 -125.291 115.3 -40.0512 69.4332 PRESSAVG: 707000 45.4368 0.0486901 -9.2262 0.0486648 -0.897731 17.1124 -9.22614 17.1124 6.00583 GPRESSAVG: 707000 43.917 -0.773677 -6.98223 1.28277 0.707797 17.1521 -7.57619 19.5958 6.0606 TIMING: 707000 CPU: 2224.59, 0.00313284/step Wall: 2224.59, 0.00313284/step, 3.73591 hours remaining, 232.867188 MB of memory in use. ENERGY: 707000 4005.3445 20447.4055 14419.3815 242.3452 -202887.5050 2356.9352 0.0000 0.0000 51926.1017 -109489.9914 298.4200 -161416.0931 -109139.4617 298.7074 73.8164 98.2938 760009.3851 16.8483 16.8951 PRESSURE: 707200 -167.812 94.649 202.216 94.6488 -213.637 -83.2156 202.217 -83.2163 63.6458 GPRESSURE: 707200 -65.9717 93.7518 114.966 164.879 -197.904 -80.5171 185.642 -139.805 20.9732 PRESSAVG: 707200 28.6382 -6.80161 7.20968 -6.8016 -29.9134 0.272897 7.2097 0.27291 5.83901 GPRESSAVG: 707200 29.1065 -5.42599 6.88868 -7.90939 -31.5231 -2.04556 6.76075 -0.899481 6.3008 TIMING: 707200 CPU: 2225.21, 0.00313847/step Wall: 2225.21, 0.00313847/step, 3.74245 hours remaining, 232.867188 MB of memory in use. ENERGY: 707200 3975.9619 20496.7924 14478.0705 223.0394 -202574.1776 2238.2559 0.0000 0.0000 51963.7177 -109198.3399 298.6362 -161162.0576 -108832.9593 299.3463 -105.9344 -80.9677 762054.8933 1.5213 1.2947 PRESSURE: 707400 52.8269 180.057 22.3164 180.059 -59.1907 341.439 22.3163 341.438 -101.263 GPRESSURE: 707400 87.8679 202.613 29.1594 167.28 -52.7793 326.874 -45.2264 315.62 -36.7706 PRESSAVG: 707400 2.65477 -9.85523 10.4349 -9.85522 -32.4935 2.53917 10.4349 2.53907 -0.999587 GPRESSAVG: 707400 2.96224 -8.18333 10.7537 -12.8657 -32.0335 4.4979 14.2208 5.21856 -1.45442 TIMING: 707400 CPU: 2225.84, 0.00313599/step Wall: 2225.84, 0.00313599/step, 3.73932 hours remaining, 232.867188 MB of memory in use. ENERGY: 707400 4034.5454 20573.2222 14501.9395 241.7562 -202889.5500 2210.7953 0.0000 0.0000 52269.3849 -109057.9064 300.3929 -161327.2913 -108702.3047 300.1101 -35.8756 -0.5607 760733.9510 -10.2795 -10.1752 PRESSURE: 707600 -247.648 -28.769 -137.27 -28.7677 -8.49092 8.02708 -137.27 8.02579 129.341 GPRESSURE: 707600 -247.608 55.9802 -30.1556 -75.3906 53.3245 55.4455 -122.352 47.9762 151.846 PRESSAVG: 707600 28.9668 -51.5099 73.0694 -51.5099 -30.4056 -3.59845 73.0694 -3.59836 0.564911 GPRESSAVG: 707600 28.6383 -54.0841 73.6106 -48.9118 -30.1776 -4.12701 71.1492 -3.86859 0.687833 TIMING: 707600 CPU: 2226.47, 0.0031388/step Wall: 2226.47, 0.0031388/step, 3.74249 hours remaining, 232.867188 MB of memory in use. ENERGY: 707600 4004.3659 20516.4599 14518.7752 218.3305 -202893.2478 2336.0120 0.0000 0.0000 51938.7730 -109360.5312 298.4928 -161299.3042 -109005.3655 299.8174 -42.2659 -14.1455 762494.1516 -0.2913 -0.2838 PRESSURE: 707800 -389.656 71.3607 -197.005 71.3609 -18.3429 -191.626 -197.005 -191.625 3.51507 GPRESSURE: 707800 -379.717 47.9557 -146.809 53.4146 0.944695 -168.316 -143.629 -106.959 59.9728 PRESSAVG: 707800 -23.946 -56.4153 -14.6764 -56.4154 60.4172 26.2973 -14.6765 26.2972 -23.7595 GPRESSAVG: 707800 -24.2688 -57.6914 -15.9878 -55.353 60.5111 26.7747 -14.409 23.7699 -23.2344 TIMING: 707800 CPU: 2227.09, 0.0031238/step Wall: 2227.09, 0.0031238/step, 3.72444 hours remaining, 232.867188 MB of memory in use. ENERGY: 707800 3996.8771 20469.9479 14412.8834 245.6334 -203003.6642 2462.4119 0.0000 0.0000 52143.9396 -109271.9710 299.6719 -161415.9106 -108910.8917 299.3201 -134.8278 -106.2665 761244.2307 4.2372 4.3360 PRESSURE: 708000 -191.557 -3.42643 -162.188 -3.42685 -363.858 -168.814 -162.187 -168.814 -380.367 GPRESSURE: 708000 -174.226 -39.4576 -121.788 4.4704 -315.454 -131.237 -177.449 -259.05 -353.223 PRESSAVG: 708000 -0.286241 17.0019 12.046 17.0019 -13.5168 -12.0255 12.046 -12.0256 -8.02321 GPRESSAVG: 708000 -0.71774 18.3261 10.8399 15.5789 -13.6079 -11.0884 12.7578 -10.8287 -8.43299 TIMING: 708000 CPU: 2227.72, 0.00315036/step Wall: 2227.72, 0.00315036/step, 3.75593 hours remaining, 232.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 708000 4016.0419 20661.9305 14502.6204 260.5922 -202981.2895 2291.0109 0.0000 0.0000 52040.9520 -109208.1416 299.0801 -161249.0936 -108847.9271 299.9456 -311.9274 -280.9676 762303.2165 -7.2754 -7.5862 PRESSURE: 708200 -134.351 -167.494 -33.7816 -167.492 -58.1175 -127.184 -33.7821 -127.184 -118.928 GPRESSURE: 708200 -125.008 -99.9152 23.5201 -106.401 -87.6392 -185.836 -119.918 -208.27 -23.5111 PRESSAVG: 708200 -41.9294 -68.1107 11.7488 -68.1106 40.1188 10.9109 11.7488 10.911 -7.10646 GPRESSAVG: 708200 -40.5428 -68.4958 14.536 -67.9643 38.7448 10.456 12.6339 9.8587 -6.70324 TIMING: 708200 CPU: 2228.35, 0.00313979/step Wall: 2228.35, 0.00313979/step, 3.74316 hours remaining, 232.867188 MB of memory in use. ENERGY: 708200 4075.6326 20517.4412 14486.5261 244.7081 -203447.1549 2796.8878 0.0000 0.0000 52188.1339 -109137.8253 299.9259 -161325.9592 -108765.4050 300.2480 -103.7988 -78.7194 763058.6844 -2.9724 -2.8338 LDB: ============= START OF LOAD BALANCING ============== 2240.75 LDB: ============== END OF LOAD BALANCING =============== 2240.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2240.75 LDB: ============= START OF LOAD BALANCING ============== 2241.06 LDB: Largest compute 7036 load 0.033247 is 17.0% of average load 0.195749 LDB: Average compute 0.004386 is 2.2% of average load 0.195749 LDB: TIME 2241.07 LOAD: AVG 0.195749 MAX 0.213652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.164 MB LDB: TIME 2241.07 LOAD: AVG 0.195749 MAX 0.213652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.168 MB LDB: TIME 2241.07 LOAD: AVG 0.195749 MAX 0.213652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.168 MB LDB: ============== END OF LOAD BALANCING =============== 2241.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2241.07 PRESSURE: 708400 -29.8521 38.1339 95.6255 38.1348 195.079 -9.30353 95.6255 -9.30434 61.514 GPRESSURE: 708400 24.9209 50.3306 113.941 88.4323 281.338 -48.9476 79.626 4.83838 2.93905 PRESSAVG: 708400 -21.8598 -38.3048 25.3219 -38.3047 -1.56305 -17.8589 25.3219 -17.859 -3.1805 GPRESSAVG: 708400 -22.3262 -35.5942 23.3276 -40.3416 0.0752631 -19.232 24.2759 -16.7058 -4.17799 TIMING: 708400 CPU: 2228.99, 0.00320829/step Wall: 2228.99, 0.00320829/step, 3.82464 hours remaining, 233.445312 MB of memory in use. ENERGY: 708400 4097.7499 20732.6283 14494.7299 243.6666 -203534.6769 2634.9019 0.0000 0.0000 52039.9251 -109291.0752 299.0742 -161331.0003 -108935.8893 299.7350 75.5802 103.0661 759870.1194 -8.8678 -8.8096 PRESSURE: 708600 -183.992 2.48032 -78.605 2.47953 -454.722 -204.686 -78.604 -204.686 -34.5023 GPRESSURE: 708600 -116.61 33.5802 -124.727 -46.755 -400.99 -144.418 -37.7107 -225.233 -69.5205 PRESSAVG: 708600 -15.5865 -65.163 28.3384 -65.163 -5.90545 -44.3352 28.3383 -44.3354 -12.1142 GPRESSAVG: 708600 -14.3825 -65.8957 29.2269 -63.5183 -7.28506 -42.5774 30.9461 -43.9448 -11.365 TIMING: 708600 CPU: 2229.62, 0.00314129/step Wall: 2229.62, 0.00314129/step, 3.74459 hours remaining, 233.648438 MB of memory in use. ENERGY: 708600 4032.9851 20671.0885 14443.4036 259.1484 -203110.8848 2434.4977 0.0000 0.0000 52080.8102 -109188.9513 299.3091 -161269.7615 -108833.2944 299.8494 -224.4054 -195.7069 759696.0440 -11.2020 -11.0108 PRESSURE: 708800 -143.413 47.6688 51.6443 47.6691 35.634 -207.917 51.6452 -207.917 -2.13152 GPRESSURE: 708800 -125.979 77.2291 52.325 120.942 171.437 -155.772 -7.29193 -180.578 -60.9504 PRESSAVG: 708800 9.33826 -29.3049 -25.9408 -29.3049 25.4706 -20.6112 -25.9408 -20.6112 14.7939 GPRESSAVG: 708800 9.48951 -30.4885 -26.125 -29.0804 26.0063 -21.2362 -28.4525 -21.774 13.9066 TIMING: 708800 CPU: 2230.25, 0.00312571/step Wall: 2230.25, 0.00312571/step, 3.72585 hours remaining, 233.648438 MB of memory in use. ENERGY: 708800 4039.4199 20485.6957 14392.8412 254.6691 -203439.9755 2695.0250 0.0000 0.0000 52284.5564 -109287.7683 300.4801 -161572.3246 -108929.6036 300.5104 -36.6368 -5.1642 760461.0310 16.5343 16.4674 PRESSURE: 709000 27.2165 106.813 1.93595 106.813 -50.9053 149.363 1.9358 149.363 341.315 GPRESSURE: 709000 10.034 106.67 -12.3538 -70.9695 48.5007 108.995 -34.2077 208.449 344.182 PRESSAVG: 709000 -77.335 -10.9284 0.0126205 -10.9284 34.0745 10.9508 0.0126032 10.9507 -21.4616 GPRESSAVG: 709000 -77.4603 -11.4189 0.523278 -10.1894 33.2738 9.26902 0.0243092 14.0498 -20.7049 TIMING: 709000 CPU: 2230.87, 0.00312373/step Wall: 2230.87, 0.00312373/step, 3.72331 hours remaining, 233.648438 MB of memory in use. ENERGY: 709000 3916.5885 20506.1610 14402.6238 255.5963 -203212.2849 2560.0134 0.0000 0.0000 52183.1636 -109388.1383 299.8974 -161571.3019 -109013.7398 299.4129 105.8753 134.2388 758843.4650 -21.5740 -21.6305 PRESSURE: 709200 -444.654 -130.469 71.6068 -130.469 -330.7 -63.5807 71.607 -63.581 -259.651 GPRESSURE: 709200 -362.802 -90.784 -32.3553 -17.6286 -359.738 -196.084 138.681 -82.2227 -232.1 PRESSAVG: 709200 -18.2614 -12.4698 -12.3487 -12.4698 22.811 11.4257 -12.3487 11.4257 29.2332 GPRESSAVG: 709200 -20.0793 -10.1634 -13.034 -14.3016 23.7315 12.4553 -11.5968 8.14076 29.4641 TIMING: 709200 CPU: 2231.5, 0.00313423/step Wall: 2231.5, 0.00313423/step, 3.73565 hours remaining, 233.648438 MB of memory in use. ENERGY: 709200 4009.2155 20611.4268 14418.1458 257.9718 -203010.8541 2112.8769 0.0000 0.0000 52233.8259 -109367.3915 300.1885 -161601.2174 -108994.4211 299.7981 -345.0013 -318.2134 761148.6653 11.2609 11.0388 PRESSURE: 709400 219.37 160.589 -31.472 160.588 111.001 -200.15 -31.4714 -200.151 -136.068 GPRESSURE: 709400 316.094 160.518 46.3625 209.18 59.252 -108.495 44.676 -86.0148 -92.4248 PRESSAVG: 709400 -26.4842 -24.933 -29.1296 -24.933 45.4663 0.159956 -29.1296 0.159933 14.0942 GPRESSAVG: 709400 -25.7554 -25.4578 -29.0789 -24.5494 44.7464 -0.191757 -28.9837 1.5387 14.189 TIMING: 709400 CPU: 2232.12, 0.00313359/step Wall: 2232.12, 0.00313359/step, 3.73472 hours remaining, 233.648438 MB of memory in use. ENERGY: 709400 4030.3486 20637.3601 14434.6483 233.0817 -203412.3878 2351.2024 0.0000 0.0000 52164.3263 -109561.4205 299.7891 -161725.7467 -109201.2847 299.9029 64.7680 94.3070 760663.5895 11.0255 11.0600 PRESSURE: 709600 176.415 186.537 -65.6873 186.537 27.0786 66.726 -65.6874 66.7265 123.055 GPRESSURE: 709600 175.875 98.5756 -46.0271 169.639 89.3142 136.211 -113.014 -51.5395 157.929 PRESSAVG: 709600 -19.0084 -38.5336 7.88715 -38.5336 32.721 11.1389 7.88712 11.139 -0.861245 GPRESSAVG: 709600 -18.2037 -38.8962 9.24749 -36.3384 31.5891 11.5643 8.01742 8.99237 -1.2113 TIMING: 709600 CPU: 2232.75, 0.00313139/step Wall: 2232.75, 0.00313139/step, 3.73192 hours remaining, 233.714844 MB of memory in use. ENERGY: 709600 3915.4041 20674.4189 14412.5605 257.8148 -203300.0066 2553.6048 0.0000 0.0000 51957.9712 -109528.2323 298.6032 -161486.2035 -109163.1581 299.1806 108.8495 141.0394 760312.7020 4.2838 4.0580 PRESSURE: 709800 82.5531 -25.7098 -193.478 -25.7098 -261.338 40.6315 -193.477 40.6322 -265.773 GPRESSURE: 709800 85.0334 66.4133 -156.297 -72.0697 -128.091 29.8863 -281.755 68.1293 -318.284 PRESSAVG: 709800 -15.8189 -24.8695 -36.2701 -24.8695 29.4605 31.7056 -36.2701 31.7055 24.6323 GPRESSAVG: 709800 -16.0929 -23.3789 -38.4316 -27.4867 29.9882 31.7912 -36.7728 32.921 24.1603 TIMING: 709800 CPU: 2233.38, 0.00313498/step Wall: 2233.38, 0.00313498/step, 3.73603 hours remaining, 233.714844 MB of memory in use. ENERGY: 709800 4008.3596 20503.6542 14493.9644 229.5878 -203217.2702 2387.1247 0.0000 0.0000 52158.1170 -109436.4626 299.7534 -161594.5795 -109070.1046 299.4987 -148.1859 -120.4471 761788.4926 12.7580 12.6852 PRESSURE: 710000 -237.73 -141.362 -93.0969 -141.362 121.153 -102.935 -93.0957 -102.936 184.46 GPRESSURE: 710000 -199.171 -304.795 -149.528 -175.394 170.562 -94.988 -95.3796 -172.441 188.077 PRESSAVG: 710000 15.2205 -26.158 -33.9515 -26.1579 0.735846 -2.76583 -33.9515 -2.76588 4.11264 GPRESSAVG: 710000 14.3022 -27.9224 -32.1408 -25.536 1.43911 -2.76413 -35.4125 -2.23693 3.91326 TIMING: 710000 CPU: 2234, 0.0031207/step Wall: 2234, 0.0031207/step, 3.71883 hours remaining, 233.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 710000 4033.3992 20571.0035 14529.2605 255.4797 -203267.7526 2516.2438 0.0000 0.0000 52172.5270 -109189.8389 299.8362 -161362.3659 -108834.5907 299.8969 22.6274 53.1562 760840.5645 6.6897 6.5515 PRESSURE: 710200 218.933 -46.1566 336.534 -46.1576 170.078 458.407 336.534 458.408 403.239 GPRESSURE: 710200 272.149 -27.9207 327.724 -57.1667 160.524 439.713 294.444 489.704 455.109 PRESSAVG: 710200 18.3172 -51.9567 -7.5074 -51.9567 -1.10209 69.8619 -7.50734 69.8618 17.5937 GPRESSAVG: 710200 18.855 -50.8318 -9.13884 -51.9936 -2.69761 69.6673 -5.31834 70.1128 18.9551 TIMING: 710200 CPU: 2234.63, 0.00313151/step Wall: 2234.63, 0.00313151/step, 3.73154 hours remaining, 233.714844 MB of memory in use. ENERGY: 710200 3942.9352 20491.0228 14442.5737 254.8440 -203196.9470 2785.5878 0.0000 0.0000 52220.2726 -109059.7108 300.1106 -161279.9834 -108700.4420 299.7521 264.0833 295.9274 761253.0929 11.6030 11.7042 PRESSURE: 710400 -101.684 -291.735 -99.7881 -291.735 -280.042 -335.521 -99.7882 -335.52 139.359 GPRESSURE: 710400 -111.172 -181.779 -55.6929 -261.852 -186.179 -319.701 -148.385 -247.562 159.43 PRESSAVG: 710400 60.5988 -50.3123 -36.1348 -50.3124 -35.6845 22.1789 -36.1348 22.179 -0.927496 GPRESSAVG: 710400 60.0413 -52.3012 -34.2221 -51.2507 -35.1859 23.0676 -36.736 23.3606 -0.595653 TIMING: 710400 CPU: 2235.25, 0.00312412/step Wall: 2235.25, 0.00312412/step, 3.72256 hours remaining, 233.714844 MB of memory in use. ENERGY: 710400 3988.1231 20392.2609 14466.6435 245.9550 -203380.8629 2619.1977 0.0000 0.0000 52542.1188 -109126.5639 301.9603 -161668.6827 -108756.2653 300.6829 -80.7887 -45.9736 761786.1138 7.9956 8.0866 PRESSURE: 710600 24.3022 38.6488 -126.287 38.6482 -149.979 -55.6686 -126.287 -55.6694 194.004 GPRESSURE: 710600 62.6109 7.03518 -182.54 29.0868 -48.4623 6.89301 61.7829 -191.947 136.942 PRESSAVG: 710600 53.0731 -71.6915 30.1671 -71.6916 -39.3624 14.0763 30.167 14.0764 -6.20501 GPRESSAVG: 710600 53.4728 -70.2724 30.0088 -69.5973 -39.3881 13.9768 29.4565 12.3289 -6.59073 TIMING: 710600 CPU: 2235.88, 0.00311679/step Wall: 2235.88, 0.00311678/step, 3.71365 hours remaining, 233.714844 MB of memory in use. ENERGY: 710600 4046.0040 20556.0416 14452.1413 257.7918 -203384.7490 2755.1398 0.0000 0.0000 52226.9943 -109090.6362 300.1493 -161317.6305 -108724.8864 300.3186 22.7758 50.3636 762007.3379 2.5019 2.4980 PRESSURE: 710800 109.554 -325.718 -58.892 -325.719 -59.9343 59.9321 -58.8919 59.9323 26.9514 GPRESSURE: 710800 203.268 -225.096 -173.332 -314.115 -1.36546 -2.7054 16.7263 134.136 -22.5681 PRESSAVG: 710800 20.5216 -48.6938 -32.8033 -48.6938 -44.5121 29.6173 -32.8034 29.6173 16.5694 GPRESSAVG: 710800 20.8189 -48.0978 -34.8265 -49.4104 -42.7094 28.8004 -30.0409 29.5674 14.2968 TIMING: 710800 CPU: 2236.5, 0.00311176/step Wall: 2236.5, 0.00311176/step, 3.70749 hours remaining, 233.714844 MB of memory in use. ENERGY: 710800 4014.1409 20560.4491 14453.6868 237.0627 -203670.4455 2950.0024 0.0000 0.0000 52465.4623 -108989.6412 301.5197 -161455.1035 -108628.3216 300.1379 25.5236 59.7781 760566.9851 -2.4737 -2.5312 PRESSURE: 711000 -193.035 -221.015 -79.0812 -221.015 -321.58 124.081 -79.0811 124.08 -348.67 GPRESSURE: 711000 -129.785 -194.5 -35.3528 -183.849 -411.878 231.229 -113.291 34.6846 -222.148 PRESSAVG: 711000 -28.141 -63.4718 -26.2838 -63.4718 -17.5095 55.7917 -26.2837 55.7917 -8.35354 GPRESSAVG: 711000 -28.7303 -63.8985 -25.2354 -66.8218 -20.2468 56.3958 -28.4755 56.7104 -5.72494 TIMING: 711000 CPU: 2237.12, 0.00310822/step Wall: 2237.12, 0.00310822/step, 3.70309 hours remaining, 233.714844 MB of memory in use. ENERGY: 711000 4008.0218 20567.8797 14480.6274 245.8647 -203640.4451 2931.5403 0.0000 0.0000 52515.5367 -108890.9745 301.8075 -161406.5112 -108528.6828 300.3325 -287.7616 -254.6037 760929.8228 -18.0014 -18.2340 PRESSURE: 711200 -260.2 -143.924 30.1928 -143.924 23.3943 211.171 30.193 211.171 -218.953 GPRESSURE: 711200 -192.29 -52.8813 -44.1384 -29.9914 57.2816 206.375 10.5203 147.133 -232.095 PRESSAVG: 711200 -24.0642 -59.8927 6.66035 -59.8926 -12.0361 -6.70438 6.66043 -6.70431 15.6463 GPRESSAVG: 711200 -23.0055 -62.3075 7.56598 -55.1071 -11.8638 -7.22885 3.89268 -8.58918 14.5856 TIMING: 711200 CPU: 2237.75, 0.00313765/step Wall: 2237.75, 0.00313765/step, 3.73798 hours remaining, 233.714844 MB of memory in use. ENERGY: 711200 3997.2912 20538.9719 14415.8775 236.0811 -203074.7853 2492.2240 0.0000 0.0000 52199.6465 -109194.6931 299.9921 -161394.3396 -108836.8682 300.4537 -151.9197 -122.3678 761283.4053 -6.8180 -6.7612 PRESSURE: 711400 108.254 -95.7856 -200.709 -95.7845 -199.829 -325.317 -200.709 -325.319 -327.204 GPRESSURE: 711400 150.083 -110.793 -280.449 -97.6936 -161.94 -345.023 -169.921 -212.25 -322.059 PRESSAVG: 711400 21.945 -69.4338 -11.2604 -69.4338 -1.9366 34.2685 -11.2604 34.2685 15.1218 GPRESSAVG: 711400 21.6247 -65.3407 -11.6698 -73.1216 -1.44027 34.6947 -9.67316 34.7541 14.7697 TIMING: 711400 CPU: 2238.37, 0.00311619/step Wall: 2238.37, 0.00311619/step, 3.71225 hours remaining, 233.714844 MB of memory in use. ENERGY: 711400 4086.8338 20529.0442 14382.6727 237.2216 -203247.2177 2388.8331 0.0000 0.0000 52111.9779 -109510.6345 299.4883 -161622.6123 -109137.4829 299.1046 -139.5927 -111.3056 761161.2724 11.7101 11.6514 PRESSURE: 711600 -281.627 38.4373 -347.768 38.4369 -182.76 -103.939 -347.769 -103.939 -339.787 GPRESSURE: 711600 -230.647 109.813 -331.563 -43.4479 -136.427 -149.844 -310.248 28.1547 -356.518 PRESSAVG: 711600 53.8089 -19.1195 -10.9088 -19.1196 15.5536 3.92358 -10.9088 3.92357 28.788 GPRESSAVG: 711600 54.6768 -21.5696 -8.88174 -17.7351 15.4019 4.0143 -9.65997 4.23942 28.4042 TIMING: 711600 CPU: 2238.99, 0.00311352/step Wall: 2238.99, 0.00311352/step, 3.7089 hours remaining, 233.714844 MB of memory in use. ENERGY: 711600 4061.0108 20601.5029 14388.0955 217.3326 -203276.5986 2285.0189 0.0000 0.0000 52207.5225 -109516.1154 300.0373 -161723.6379 -109145.4617 299.0395 -268.0576 -241.1976 761358.9959 32.7168 32.8276 PRESSURE: 711800 200.95 -360.621 186.722 -360.621 -0.512038 156 186.723 156.002 -239.03 GPRESSURE: 711800 232.751 -352.786 122.111 -183.275 49.8688 173.995 237.05 156.099 -237.004 PRESSAVG: 711800 -22.5592 -51.3704 -49.645 -51.3704 -17.3431 -15.2652 -49.6449 -15.2653 12.0459 GPRESSAVG: 711800 -23.97 -52.1267 -52.2944 -49.8715 -16.8398 -15.9724 -50.2451 -15.3685 12.3273 TIMING: 711800 CPU: 2239.62, 0.0031413/step Wall: 2239.62, 0.0031413/step, 3.74181 hours remaining, 233.714844 MB of memory in use. ENERGY: 711800 4017.9514 20535.4790 14405.8347 247.8140 -203434.2149 2849.2990 0.0000 0.0000 52058.2067 -109319.6301 299.1792 -161377.8368 -108957.2527 299.4041 -12.8640 15.2051 760876.2629 -9.2855 -9.4942 PRESSURE: 712000 -107.546 -63.2514 -76.7335 -63.2511 -59.5482 -130.176 -76.7335 -130.176 472.183 GPRESSURE: 712000 31.5163 -110.649 -11.9166 -80.7467 -63.0089 -119.176 52.5646 -93.1158 434.064 PRESSAVG: 712000 13.2804 -35.8757 17.1674 -35.8757 13.1618 28.5214 17.1673 28.5214 -9.48858 GPRESSAVG: 712000 14.1992 -36.6867 20.0341 -36.8637 12.0115 28.7444 18.5393 28.6465 -8.72161 TIMING: 712000 CPU: 2240.25, 0.00312399/step Wall: 2240.25, 0.00312399/step, 3.72102 hours remaining, 233.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 712000 3999.7393 20555.0484 14347.1886 242.7641 -203370.9489 2899.6465 0.0000 0.0000 52075.3691 -109251.1928 299.2779 -161326.5619 -108878.7251 299.5035 101.6961 134.1904 761728.7042 5.6512 5.8297 PRESSURE: 712200 -174.264 -68.9744 96.9132 -68.9743 -225.947 23.3275 96.9133 23.3261 -62.695 GPRESSURE: 712200 -182.291 -12.8925 177.851 -11.4319 -141.006 70.4347 1.60215 2.96633 -61.6181 PRESSAVG: 712200 -81.0238 -46.1399 -20.0107 -46.1399 55.1221 -1.34659 -20.0106 -1.34654 10.1856 GPRESSAVG: 712200 -81.4191 -44.2729 -20.5684 -46.1049 56.4895 -0.701559 -20.9611 -2.11218 9.19291 TIMING: 712200 CPU: 2240.87, 0.00311868/step Wall: 2240.87, 0.00311868/step, 3.71452 hours remaining, 233.714844 MB of memory in use. ENERGY: 712200 4091.3628 20461.1019 14429.9769 249.8375 -202955.5139 2266.6417 0.0000 0.0000 52354.6232 -109101.9700 300.8827 -161456.5932 -108734.9765 299.8614 -154.3018 -128.3052 763619.8335 -5.2387 -5.2456 LDB: ============= START OF LOAD BALANCING ============== 2253.27 LDB: ============== END OF LOAD BALANCING =============== 2253.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2253.27 LDB: ============= START OF LOAD BALANCING ============== 2253.58 LDB: Largest compute 7056 load 0.031549 is 16.1% of average load 0.195815 LDB: Average compute 0.004390 is 2.2% of average load 0.195815 LDB: TIME 2253.58 LOAD: AVG 0.195815 MAX 0.215541 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.516 MB LDB: TIME 2253.59 LOAD: AVG 0.195815 MAX 0.215541 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: TIME 2253.59 LOAD: AVG 0.195815 MAX 0.215541 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: ============== END OF LOAD BALANCING =============== 2253.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2253.59 PRESSURE: 712400 163.217 -44.5226 -78.8929 -44.5226 -101.893 76.4626 -78.8937 76.4621 -317.876 GPRESSURE: 712400 198.888 0.417959 -49.1907 -4.36496 -37.9959 101.009 -89.9287 -118.78 -342.714 PRESSAVG: 712400 6.50235 -95.3865 -10.5463 -95.3865 12.9345 55.7613 -10.5464 55.7614 20.3456 GPRESSAVG: 712400 7.6165 -95.6971 -11.0772 -96.0668 11.7326 54.038 -12.3409 57.008 20.2919 TIMING: 712400 CPU: 2241.51, 0.00319726/step Wall: 2241.51, 0.00319726/step, 3.80794 hours remaining, 234.285156 MB of memory in use. ENERGY: 712400 4037.0891 20657.5213 14451.1468 235.3473 -203482.0108 2713.5667 0.0000 0.0000 52185.0153 -109202.3243 299.9080 -161387.3396 -108837.3389 299.7512 -85.5171 -60.6072 762146.9019 13.2608 13.2137 PRESSURE: 712600 114.285 -128.121 71.9457 -128.121 47.203 -245.03 71.9466 -245.031 142.978 GPRESSURE: 712600 205.396 -31.7426 138.558 -134.677 18.646 -178.95 47.1611 -73.5903 171.605 PRESSAVG: 712600 21.1791 -31.8125 -57.2941 -31.8125 -32.8901 21.0101 -57.2941 21.0101 18.2876 GPRESSAVG: 712600 21.1195 -32.7985 -57.2051 -30.3379 -33.2714 22.2929 -57.1711 20.9508 18.9918 TIMING: 712600 CPU: 2242.13, 0.00311502/step Wall: 2242.13, 0.00311502/step, 3.70982 hours remaining, 234.554688 MB of memory in use. ENERGY: 712600 4049.5499 20443.8409 14545.2920 266.4894 -203925.5297 3003.6826 0.0000 0.0000 52265.9578 -109350.7171 300.3732 -161616.6750 -108986.7333 299.5680 101.4886 131.8824 761625.4611 2.1922 2.2799 PRESSURE: 712800 273.873 -116.009 -197.363 -116.008 -116.513 64.9598 -197.363 64.9599 -106.833 GPRESSURE: 712800 299.288 -202.429 -230.853 -38.312 -19.6863 69.0943 -243.113 0.320135 -138.293 PRESSAVG: 712800 29.4895 6.53185 -42.6791 6.53182 -25.6185 -11.7194 -42.6791 -11.7194 11.235 GPRESSAVG: 712800 29.266 7.62749 -42.3059 5.7841 -24.4263 -12.0693 -41.7684 -11.4305 10.7988 TIMING: 712800 CPU: 2242.76, 0.00311785/step Wall: 2242.76, 0.00311785/step, 3.71302 hours remaining, 234.554688 MB of memory in use. ENERGY: 712800 3943.6918 20692.8011 14430.1250 240.5980 -203153.0801 2676.0326 0.0000 0.0000 52012.5961 -109157.2356 298.9171 -161169.8317 -108799.1440 299.6320 16.8427 47.1028 761022.6475 5.0354 5.2128 PRESSURE: 713000 -322.969 216.1 -294.964 216.099 -85.2702 306.423 -294.964 306.423 -160.22 GPRESSURE: 713000 -246.981 214.972 -308.472 134.859 -36.3553 225.495 -322.245 236.61 -187.267 PRESSAVG: 713000 46.1965 -31.1525 -67.9455 -31.1526 -52.5103 -20.1786 -67.9455 -20.1785 -13.4656 GPRESSAVG: 713000 45.1733 -29.9591 -69.1366 -29.8909 -52.2833 -21.2082 -67.7632 -20.6966 -12.4898 TIMING: 713000 CPU: 2243.38, 0.0031165/step Wall: 2243.38, 0.0031165/step, 3.71124 hours remaining, 234.554688 MB of memory in use. ENERGY: 713000 4048.6527 20597.2624 14438.8190 265.6687 -203169.2379 2526.8076 0.0000 0.0000 52067.8338 -109224.1937 299.2346 -161292.0275 -108868.6252 299.9497 -189.4862 -156.8676 760583.9016 -6.5931 -6.5333 PRESSURE: 713200 -195.505 -165.508 34.1472 -165.509 -144.084 119.91 34.1465 119.909 -149.221 GPRESSURE: 713200 -148.173 -235.062 56.5839 -147.125 -92.9233 70.2626 10.9487 29.0077 -161.977 PRESSAVG: 713200 12.851 -5.08931 -23.5988 -5.08937 8.85374 5.56682 -23.5988 5.56674 6.6946 GPRESSAVG: 713200 14.6076 -6.75141 -24.1167 -5.85154 8.46505 6.71654 -21.8118 4.27572 5.14037 TIMING: 713200 CPU: 2244, 0.00311607/step Wall: 2244, 0.00311607/step, 3.71055 hours remaining, 234.554688 MB of memory in use. ENERGY: 713200 4104.7979 20633.4870 14461.0100 265.0024 -203382.2492 2658.6704 0.0000 0.0000 52083.2571 -109176.0243 299.3232 -161259.2814 -108815.1588 300.1139 -162.9370 -134.3576 761306.6696 9.4664 9.4043 PRESSURE: 713400 143.874 81.2561 121.892 81.2557 0.585819 -94.2192 121.893 -94.2185 -182.965 GPRESSURE: 713400 152.764 -3.20543 110.06 -46.5057 51.863 -83.4311 113.297 -71.7746 -147.954 PRESSAVG: 713400 -0.352647 -22.2885 -19.5494 -22.2885 54.2868 -36.2464 -19.5493 -36.2463 7.05933 GPRESSAVG: 713400 -1.85955 -22.5808 -19.1695 -24.3881 55.787 -36.2514 -19.8811 -35.0885 7.90899 TIMING: 713400 CPU: 2244.63, 0.00311926/step Wall: 2244.63, 0.00311926/step, 3.71418 hours remaining, 234.554688 MB of memory in use. ENERGY: 713400 4079.3644 20463.1320 14473.0848 223.4860 -203125.2288 2610.8071 0.0000 0.0000 52148.0498 -109127.3048 299.6956 -161275.3546 -108755.3622 299.8812 -12.8350 18.8909 763827.3160 20.3312 20.6121 PRESSURE: 713600 -110.624 -82.6639 113.009 -82.6645 104.661 -223.964 113.009 -223.964 147.292 GPRESSURE: 713600 -76.9923 -8.23623 3.39704 -70.1886 141.504 -165.685 150.518 -163.207 148.534 PRESSAVG: 713600 22.2196 -53.0318 -25.6374 -53.0318 -6.36537 -3.91433 -25.6375 -3.91431 19.3047 GPRESSAVG: 713600 21.8457 -50.7538 -26.5553 -51.8492 -5.95776 -4.62592 -25.9106 -4.53206 19.1789 TIMING: 713600 CPU: 2245.25, 0.00313595/step Wall: 2245.25, 0.00313595/step, 3.73387 hours remaining, 234.554688 MB of memory in use. ENERGY: 713600 3972.5454 20547.3149 14494.1016 250.9982 -203104.3420 2540.7624 0.0000 0.0000 51938.2413 -109360.3782 298.4898 -161298.6196 -108995.4833 299.0269 47.1096 71.0151 762022.6222 11.7197 11.6889 PRESSURE: 713800 75.3745 152.441 37.8246 152.441 -542.15 -58.9346 37.8242 -58.9348 -244.589 GPRESSURE: 713800 133.986 8.06653 -39.997 256.49 -480.049 -37.6753 105.29 -39.3904 -249.743 PRESSAVG: 713800 19.9409 -31.5684 -29.8315 -31.5685 -34.0507 -36.0228 -29.8315 -36.0228 -7.1751 GPRESSAVG: 713800 20.8297 -32.2288 -28.5694 -30.9687 -35.61 -34.9227 -31.6419 -33.7727 -6.81979 TIMING: 713800 CPU: 2245.88, 0.00313184/step Wall: 2245.88, 0.00313184/step, 3.7288 hours remaining, 234.554688 MB of memory in use. ENERGY: 713800 3995.9932 20471.4973 14442.2466 251.5234 -203385.5405 2525.1791 0.0000 0.0000 52220.5737 -109478.5274 300.1124 -161699.1011 -109103.0735 299.3012 -237.1216 -198.6022 761787.7030 -7.0950 -7.2000 PRESSURE: 714000 88.8389 7.81743 36.9418 7.81769 -208.295 101.535 36.9402 101.535 -14.4799 GPRESSURE: 714000 102.565 93.5899 76.3647 -71.2539 -166.408 139.113 -64.1453 58.4969 4.51056 PRESSAVG: 714000 21.666 -72.5471 -53.1738 -72.547 -45.5834 -38.6596 -53.1738 -38.6596 -2.53891 GPRESSAVG: 714000 20.6225 -72.2714 -52.1638 -72.7352 -45.2552 -38.6591 -52.5429 -41.1698 -2.13289 TIMING: 714000 CPU: 2246.51, 0.00314418/step Wall: 2246.51, 0.00314418/step, 3.74333 hours remaining, 234.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 714000 3977.6260 20707.4150 14498.3762 238.9248 -203486.2511 2630.2925 0.0000 0.0000 52105.0515 -109328.5652 299.4484 -161433.6167 -108972.1802 299.5915 -44.6453 -19.7773 760349.8789 -8.8188 -8.9219 PRESSURE: 714200 308.475 160.286 207.68 160.286 148.773 70.763 207.68 70.762 399.416 GPRESSURE: 714200 362.69 110.187 123.128 48.8209 146.957 18.8377 260.496 37.2366 425.962 PRESSAVG: 714200 30.0516 -38.7161 -20.7378 -38.716 10.5185 4.54443 -20.7378 4.54449 -9.45223 GPRESSAVG: 714200 30.6209 -38.5258 -21.3555 -39.3772 10.1166 2.9914 -21.2644 3.9501 -9.50767 TIMING: 714200 CPU: 2247.14, 0.00313869/step Wall: 2247.14, 0.00313869/step, 3.73661 hours remaining, 234.554688 MB of memory in use. ENERGY: 714200 4034.4766 20499.8233 14407.4031 221.3857 -203514.6463 2795.2507 0.0000 0.0000 52108.0319 -109448.2750 299.4656 -161556.3069 -109092.8919 299.8611 285.5546 311.8696 759576.3984 10.3726 10.4099 PRESSURE: 714400 170.023 -24.0839 -159.821 -24.084 181.346 -158.44 -159.821 -158.44 155.107 GPRESSURE: 714400 171.314 -162.979 -55.7597 -77.9943 234.953 -155.249 -149.041 -200.397 191.23 PRESSAVG: 714400 -45.697 -30.4925 1.04423 -30.4924 25.7799 7.10166 1.04428 7.10163 23.0087 GPRESSAVG: 714400 -45.9637 -31.8805 2.31045 -31.9984 26.7563 6.50924 0.810581 9.86672 22.966 TIMING: 714400 CPU: 2247.76, 0.00313779/step Wall: 2247.76, 0.00313779/step, 3.73537 hours remaining, 234.554688 MB of memory in use. ENERGY: 714400 3937.7750 20572.3958 14427.4220 253.1387 -204041.1022 3190.9181 0.0000 0.0000 52295.8544 -109363.5983 300.5450 -161659.4527 -109006.4381 299.4165 168.8252 199.1656 759854.4240 1.0305 1.2529 PRESSURE: 714600 -12.2223 24.1846 -142.046 24.1847 277.245 109.088 -142.047 109.089 134.726 GPRESSURE: 714600 78.9732 156.006 -121.808 13.1451 287.452 122.81 -3.70982 107.893 116.466 PRESSAVG: 714600 30.1209 -15.2484 -39.4344 -15.2484 -42.3218 61.3242 -39.4344 61.3242 13.5195 GPRESSAVG: 714600 30.5702 -16.8335 -40.0794 -12.1289 -42.6742 61.2085 -37.3376 59.5796 13.5326 TIMING: 714600 CPU: 2248.39, 0.00313814/step Wall: 2248.39, 0.00313814/step, 3.7356 hours remaining, 234.554688 MB of memory in use. ENERGY: 714600 3967.1850 20574.3946 14437.8796 271.9831 -203833.7080 2945.1670 0.0000 0.0000 52059.3573 -109577.7414 299.1858 -161637.0988 -109221.2264 299.1675 133.2493 160.9638 760619.8881 0.4395 0.4762 PRESSURE: 714800 125.573 -133.059 -8.96169 -133.06 20.1258 55.9278 -8.96177 55.9272 -35.7785 GPRESSURE: 714800 138.703 -82.9355 99.6477 -103.248 59.7872 38.1652 -68.3768 40.8387 -12.6074 PRESSAVG: 714800 -17.8283 -88.7035 -44.1179 -88.7036 13.7625 36.317 -44.1178 36.3169 1.86054 GPRESSAVG: 714800 -17.396 -85.9084 -42.9836 -91.6265 13.1091 38.1616 -45.0871 34.547 2.27788 TIMING: 714800 CPU: 2249.02, 0.00311924/step Wall: 2249.02, 0.00311924/step, 3.71293 hours remaining, 234.554688 MB of memory in use. ENERGY: 714800 4023.4348 20496.5836 14433.4322 265.5496 -203689.3898 2742.5365 0.0000 0.0000 52112.4628 -109615.3904 299.4910 -161727.8531 -109245.1895 299.1347 36.6401 61.9611 760930.2519 -0.7351 -0.6697 PRESSURE: 715000 -326.776 -69.0282 9.66109 -69.0287 -237.539 -76.3118 9.66182 -76.3123 -275.2 GPRESSURE: 715000 -291.883 -21.1606 -63.963 -25.3321 -187.071 -68.0003 34.0391 -153.537 -273.032 PRESSAVG: 715000 6.81036 -75.4205 -7.6788 -75.4206 -19.1911 10.4782 -7.67884 10.4782 -2.81479 GPRESSAVG: 715000 6.64946 -76.703 -10.4137 -74.2876 -18.2185 10.8877 -8.31799 11.9082 -3.47712 TIMING: 715000 CPU: 2249.64, 0.00311873/step Wall: 2249.64, 0.00311873/step, 3.71216 hours remaining, 234.554688 MB of memory in use. ENERGY: 715000 3951.9393 20509.9414 14460.7365 247.8771 -203361.8342 2555.9387 0.0000 0.0000 52226.4141 -109408.9870 300.1459 -161635.4011 -109044.5119 299.2907 -279.8382 -250.6622 763450.7910 -5.0652 -5.0154 PRESSURE: 715200 133.223 61.9308 21.5818 61.9308 -222.445 9.76678 21.5814 9.76632 4.515 GPRESSURE: 715200 175.845 38.3404 4.05826 94.1844 -220.283 -4.6224 -77.9099 22.4127 52.9986 PRESSAVG: 715200 -32.1576 -71.0949 -17.3341 -71.0949 34.4222 15.9724 -17.3341 15.9724 -1.14157 GPRESSAVG: 715200 -32.0091 -73.0142 -15.4681 -70.1657 33.4833 14.8261 -17.1346 15.385 -0.181865 TIMING: 715200 CPU: 2250.26, 0.00311814/step Wall: 2250.26, 0.00311814/step, 3.71128 hours remaining, 234.554688 MB of memory in use. ENERGY: 715200 4060.7656 20535.4381 14464.4108 255.2132 -203611.8595 2740.1766 0.0000 0.0000 52223.4028 -109332.4524 300.1286 -161555.8552 -108969.7110 299.6299 -28.2356 2.8537 761447.7793 0.3743 0.4308 PRESSURE: 715400 -166.519 98.7037 -23.3059 98.7036 -13.1517 217.714 -23.3053 217.714 -326.106 GPRESSURE: 715400 -164.834 100.689 -28.2165 68.6376 22.9443 183.967 121.867 175.715 -297.378 PRESSAVG: 715400 -12.3799 -22.0931 32.3727 -22.0931 12.7398 50.6809 32.3727 50.6809 -3.97077 GPRESSAVG: 715400 -12.5062 -20.848 33.1698 -20.8287 12.523 50.1735 32.0746 53.565 -4.36853 TIMING: 715400 CPU: 2250.89, 0.00311258/step Wall: 2250.89, 0.00311258/step, 3.70449 hours remaining, 234.554688 MB of memory in use. ENERGY: 715400 3919.7429 20679.8245 14483.9676 252.8770 -203476.7287 2734.4314 0.0000 0.0000 51968.4890 -109437.3964 298.6636 -161405.8854 -109082.8888 299.4898 -168.5922 -146.4226 762089.4793 -1.2036 -1.4506 PRESSURE: 715600 -514.288 -115.331 -187.963 -115.33 263.645 46.5325 -187.962 46.533 335.744 GPRESSURE: 715600 -506.517 -55.4951 -236.443 -179.801 317.888 93.7243 -121.607 82.5743 345.205 PRESSAVG: 715600 -59.947 -9.24735 -29.9478 -9.24728 65.425 68.3888 -29.9478 68.3888 1.68774 GPRESSAVG: 715600 -59.046 -9.00836 -31.569 -10.6611 65.0591 68.9942 -29.2763 67.5418 1.33029 TIMING: 715600 CPU: 2251.51, 0.00310663/step Wall: 2251.51, 0.00310663/step, 3.69723 hours remaining, 234.554688 MB of memory in use. ENERGY: 715600 3906.6020 20426.6978 14387.9945 235.2110 -202863.6102 2359.5147 0.0000 0.0000 51914.2651 -109633.3250 298.3520 -161547.5901 -109263.8828 298.7554 28.3669 52.1922 760823.1094 2.3886 2.4478 PRESSURE: 715800 108.732 129.056 -6.38908 129.056 379.143 312.375 -6.38884 312.374 434.398 GPRESSURE: 715800 227.292 84.4399 3.00781 152.189 346.237 357.739 65.2917 346.976 431.128 PRESSAVG: 715800 -15.8638 -17.9218 66.1429 -17.9218 14.2976 51.3902 66.1429 51.3902 -7.59466 GPRESSAVG: 715800 -16.1751 -18.7675 67.476 -18.8256 14.1325 51.4976 66.0379 52.7406 -6.57786 TIMING: 715800 CPU: 2252.13, 0.00310442/step Wall: 2252.13, 0.00310442/step, 3.69443 hours remaining, 234.554688 MB of memory in use. ENERGY: 715800 3970.2894 20465.9099 14528.1281 242.8580 -203226.9100 2758.2286 0.0000 0.0000 51796.5946 -109464.9013 297.6757 -161261.4960 -109108.7994 298.8324 307.4242 334.8858 760878.9600 -3.0536 -2.8735 PRESSURE: 716000 -107.901 -58.1001 94.7234 -58.1006 111.54 82.6548 94.7243 82.6558 -268.917 GPRESSURE: 716000 -52.7038 -108.174 -18.8834 -116.174 26.5073 62.4118 21.2412 71.9175 -167.514 PRESSAVG: 716000 -8.06705 -37.6496 -16.2298 -37.6497 45.282 47.7996 -16.2298 47.7996 19.7062 GPRESSAVG: 716000 -7.54809 -38.6277 -18.8293 -36.0458 44.6142 47.6861 -16.9141 45.815 19.1219 TIMING: 716000 CPU: 2252.75, 0.00311238/step Wall: 2252.75, 0.00311238/step, 3.70374 hours remaining, 234.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 716000 3995.5598 20641.6171 14440.7327 235.8108 -203189.6587 2533.9493 0.0000 0.0000 51971.7286 -109370.2604 298.6822 -161341.9890 -109006.8968 299.1000 -88.4260 -64.5702 761150.9929 18.9737 18.7293 PRESSURE: 716200 252.291 -280.107 204.394 -280.107 -226.831 104.424 204.394 104.424 -38.935 GPRESSURE: 716200 229.962 -288.683 152.34 -364.555 -221.009 70.3962 221.387 227.928 49.8224 PRESSAVG: 716200 4.12101 -68.2533 20.3503 -68.2533 1.50167 30.5764 20.3503 30.5764 19.5475 GPRESSAVG: 716200 5.29361 -65.9304 22.4741 -69.8662 1.38383 30.6808 18.7666 29.4687 18.0406 TIMING: 716200 CPU: 2253.37, 0.00310545/step Wall: 2253.37, 0.00310545/step, 3.69531 hours remaining, 234.554688 MB of memory in use. ENERGY: 716200 3932.7687 20453.0439 14474.2011 257.2174 -203005.9633 2389.1384 0.0000 0.0000 52158.9400 -109340.6537 299.7581 -161499.5938 -108975.9369 299.1922 -4.4917 19.5921 761890.5224 8.3901 8.2393 LDB: ============= START OF LOAD BALANCING ============== 2265.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2265.77 LDB: =============== DONE WITH MIGRATION ================ 2265.77 LDB: ============= START OF LOAD BALANCING ============== 2266.08 LDB: Largest compute 7036 load 0.031684 is 16.2% of average load 0.195851 LDB: Average compute 0.004373 is 2.2% of average load 0.195851 LDB: TIME 2266.08 LOAD: AVG 0.195851 MAX 0.216426 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.711 MB LDB: TIME 2266.08 LOAD: AVG 0.195851 MAX 0.216426 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: TIME 2266.08 LOAD: AVG 0.195851 MAX 0.216426 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: ============== END OF LOAD BALANCING =============== 2266.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2266.09 PRESSURE: 716400 -247.957 -89.4399 199.043 -89.44 -412.423 -68.3557 199.043 -68.3552 452.185 GPRESSURE: 716400 -123.405 -70.2393 304.537 -16.6774 -382.238 -24.4786 215.044 -43.4801 391.825 PRESSAVG: 716400 8.48879 -46.551 46.2513 -46.5509 -31.8072 26.6889 46.2513 26.6889 3.53991 GPRESSAVG: 716400 7.17316 -47.4142 46.2924 -45.2306 -30.1737 28.0526 46.5008 27.399 3.01273 TIMING: 716400 CPU: 2254.01, 0.00317679/step Wall: 2254.01, 0.00317679/step, 3.78003 hours remaining, 232.640625 MB of memory in use. ENERGY: 716400 4071.1841 20376.7793 14395.9050 248.0223 -203386.8066 2598.1542 0.0000 0.0000 52165.3330 -109531.4288 299.7949 -161696.7617 -109174.8115 299.2791 -69.3985 -37.9394 760538.9612 -6.5928 -6.6626 PRESSURE: 716600 84.8734 -107.269 -168.535 -107.268 492.659 32.1135 -168.535 32.113 -71.7865 GPRESSURE: 716600 166.54 -114.829 -205.947 -75.9244 538.666 98.5448 -193.69 -110.521 -133.082 PRESSAVG: 716600 -18.1952 -11.2363 4.23072 -11.2363 0.612953 50.802 4.23072 50.8019 -4.12694 GPRESSAVG: 716600 -18.3563 -9.84576 4.00888 -14.3313 0.592352 49.7771 5.44587 50.0341 -3.48377 TIMING: 716600 CPU: 2254.63, 0.00312675/step Wall: 2254.63, 0.00312675/step, 3.72031 hours remaining, 232.640625 MB of memory in use. ENERGY: 716600 4003.8073 20462.7709 14380.5003 238.6598 -203532.0160 2769.6739 0.0000 0.0000 52023.1297 -109653.4740 298.9776 -161676.6037 -109300.6021 299.3464 168.5818 190.7080 762668.1098 -7.2364 -7.0826 PRESSURE: 716800 -186.48 43.6881 -136.519 43.6878 -33.7186 92.5072 -136.52 92.5073 38.3991 GPRESSURE: 716800 -156.717 49.4023 -242.192 -7.91921 40.5229 119.511 -43.9581 45.8621 19.2917 PRESSAVG: 716800 -9.06661 -39.6339 -52.1485 -39.6339 -5.27876 18.2256 -52.1484 18.2257 5.79474 GPRESSAVG: 716800 -9.07208 -39.6995 -51.9092 -37.6949 -5.29074 18.7619 -50.6967 19.0442 5.79953 TIMING: 716800 CPU: 2255.25, 0.00311504/step Wall: 2255.25, 0.00311504/step, 3.7062 hours remaining, 232.640625 MB of memory in use. ENERGY: 716800 3919.9717 20603.8097 14425.4175 228.5465 -203383.3768 2755.3483 0.0000 0.0000 52045.1155 -109405.1676 299.1040 -161450.2831 -109048.1218 298.8097 -60.5997 -32.3008 761406.1443 -2.8502 -2.8544 PRESSURE: 717000 309.348 -84.0985 -9.8762 -84.098 160.946 -12.6923 -9.8756 -12.6923 103.097 GPRESSURE: 717000 254.457 -29.0827 -134.876 -94.6867 222.486 46.1626 -3.15824 17.5027 177.248 PRESSAVG: 717000 5.63113 -77.0853 14.3564 -77.0853 -8.39691 -20.9652 14.3565 -20.9651 -3.77924 GPRESSAVG: 717000 6.53275 -74.8795 13.7771 -79.4911 -8.71754 -22.6332 12.2893 -20.4004 -4.22705 TIMING: 717000 CPU: 2255.88, 0.00311447/step Wall: 2255.88, 0.00311447/step, 3.70536 hours remaining, 232.867188 MB of memory in use. ENERGY: 717000 3917.7040 20504.6109 14408.3606 256.4892 -203238.1085 2649.0147 0.0000 0.0000 52004.2191 -109497.7100 298.8690 -161501.9291 -109145.4967 299.0083 191.1305 218.0636 762698.2568 -2.1817 -2.1373 PRESSURE: 717200 -187.029 90.0815 -3.33088 90.0825 -130.098 185.866 -3.3302 185.865 -178.342 GPRESSURE: 717200 -81.1521 -12.6029 -100.497 91.696 -167.31 182.906 168.239 126.395 -152.119 PRESSAVG: 717200 38.307 12.096 -13.8091 12.096 -24.1013 3.8982 -13.8091 3.89822 20.1633 GPRESSAVG: 717200 38.134 9.94793 -15.1819 15.519 -24.0795 4.75623 -11.282 2.58821 20.1462 TIMING: 717200 CPU: 2256.5, 0.00312897/step Wall: 2256.5, 0.00312897/step, 3.72244 hours remaining, 233.109375 MB of memory in use. ENERGY: 717200 3968.5279 20342.8614 14354.1832 258.5653 -203420.6509 2592.7146 0.0000 0.0000 51957.6927 -109946.1059 298.6016 -161903.7985 -109584.9248 298.4506 -165.1564 -133.5269 762732.2793 11.4563 11.4002 PRESSURE: 717400 -75.5844 -294.556 -171.68 -294.556 -198.447 -105.5 -171.679 -105.501 -8.52667 GPRESSURE: 717400 -43.5322 -196.452 -112.892 -255.486 -162.611 -117.279 -311.34 -84.2455 3.41388 PRESSAVG: 717400 26.8523 -44.7413 -12.0223 -44.7413 -50.6517 15.9504 -12.0223 15.9504 -6.34824 GPRESSAVG: 717400 26.3037 -45.1194 -9.88744 -46.6121 -50.769 16.2035 -13.4589 16.605 -5.04249 TIMING: 717400 CPU: 2257.13, 0.00313488/step Wall: 2257.13, 0.00313488/step, 3.72929 hours remaining, 233.109375 MB of memory in use. ENERGY: 717400 4017.9252 20368.1121 14403.9741 255.5507 -203414.6924 2469.8323 0.0000 0.0000 51716.8643 -110182.4337 297.2175 -161899.2980 -109829.6013 297.5389 -94.1861 -67.5763 761075.4471 -10.0492 -9.8360 PRESSURE: 717600 -480.819 171.351 173.166 171.349 -154.865 178.276 173.167 178.275 -402.476 GPRESSURE: 717600 -418.153 62.5871 184.404 46.319 -197.854 145.582 137.083 124.614 -324.124 PRESSAVG: 717600 -24.7523 -70.6975 -43.8986 -70.6975 -2.61515 -11.7319 -43.8985 -11.7319 -23.9341 GPRESSAVG: 717600 -24.6967 -68.0513 -45.9675 -72.5003 -1.8346 -11.7857 -45.8294 -12.3413 -24.3962 TIMING: 717600 CPU: 2257.76, 0.00313049/step Wall: 2257.76, 0.00313049/step, 3.72389 hours remaining, 233.109375 MB of memory in use. ENERGY: 717600 4053.4757 20447.5459 14367.3036 242.6212 -203285.8740 2421.5001 0.0000 0.0000 51534.6088 -110218.8188 296.1701 -161753.4276 -109853.8616 297.4817 -346.0535 -313.3768 761995.1326 -17.1005 -16.9758 PRESSURE: 717800 -70.0527 79.1857 -39.8546 79.1854 -68.1236 76.506 -39.8544 76.5059 152.449 GPRESSURE: 717800 -9.85529 80.0168 -111.854 175.602 -18.3915 116.338 -89.249 124.822 135.418 PRESSAVG: 717800 48.8047 -49.221 -30.6742 -49.221 -83.2066 7.16324 -30.6742 7.16321 -0.0350994 GPRESSAVG: 717800 48.6409 -50.9087 -27.8945 -46.0769 -83.3523 6.06111 -30.26 7.63604 0.134495 TIMING: 717800 CPU: 2258.38, 0.00312462/step Wall: 2258.38, 0.00312462/step, 3.71673 hours remaining, 233.109375 MB of memory in use. ENERGY: 717800 3890.0507 20629.4616 14433.4338 216.6487 -203653.9459 2640.9999 0.0000 0.0000 51750.2663 -110093.0849 297.4095 -161843.3512 -109741.8522 297.9100 4.7574 35.7239 761513.7586 -11.4790 -11.5256 PRESSURE: 718000 -160.663 44.2966 90.2009 44.2961 51.1066 -110.891 90.2018 -110.891 -30.092 GPRESSURE: 718000 -83.3703 69.5845 114.384 -25.5767 -3.15949 -130.007 63.4724 -207.525 11.6691 PRESSAVG: 718000 -4.14375 -5.30473 -4.20556 -5.30468 19.5598 47.7112 -4.20553 47.7112 3.75192 GPRESSAVG: 718000 -5.3744 -5.6025 -3.70803 -5.56908 20.4148 47.4502 -5.99827 47.8432 3.36736 TIMING: 718000 CPU: 2259.01, 0.00313047/step Wall: 2259.01, 0.00313047/step, 3.72352 hours remaining, 233.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 718000 3987.6073 20582.3136 14468.6016 257.1234 -203516.1546 2380.0387 0.0000 0.0000 51831.1781 -110009.2920 297.8745 -161840.4701 -109641.6814 298.1032 -46.5495 -24.9536 762003.8477 6.3893 6.1359 PRESSURE: 718200 -244.829 -39.3299 -92.3108 -39.3293 -139.915 9.99728 -92.3108 9.99656 323.883 GPRESSURE: 718200 -174.381 -93.8776 -76.3147 53.49 -197.822 -45.9358 -66.694 32.6572 389.122 PRESSAVG: 718200 17.5968 -4.55194 -28.3381 -4.55191 -5.66627 -64.5603 -28.3381 -64.5603 -2.93936 GPRESSAVG: 718200 19.6592 -4.68448 -30.8517 -5.44169 -6.86518 -64.644 -24.6961 -67.3102 -4.10913 TIMING: 718200 CPU: 2259.63, 0.00311788/step Wall: 2259.63, 0.00311788/step, 3.70837 hours remaining, 233.109375 MB of memory in use. ENERGY: 718200 4004.7344 20368.2599 14458.6069 246.4203 -203529.7555 2756.5868 0.0000 0.0000 51868.4036 -109826.7435 298.0884 -161695.1471 -109461.1298 298.7501 -20.2869 5.6395 761040.5153 2.9971 2.8950 PRESSURE: 718400 223.855 -363.112 87.4727 -363.112 60.6614 -70.8782 87.4734 -70.8793 70.6166 GPRESSURE: 718400 159.894 -289.107 106.727 -370.49 162.781 21.9094 59.0986 -169.918 106.249 PRESSAVG: 718400 17.537 -20.554 20.0195 -20.554 -40.2726 -16.9922 20.0194 -16.9923 -20.8319 GPRESSAVG: 718400 15.3787 -18.515 21.657 -18.7349 -39.5767 -16.5206 19.2272 -15.4928 -19.4248 TIMING: 718400 CPU: 2260.25, 0.00311713/step Wall: 2260.25, 0.00311713/step, 3.7073 hours remaining, 233.140625 MB of memory in use. ENERGY: 718400 3942.2665 20275.4511 14436.5377 261.0266 -203827.7428 2925.8299 0.0000 0.0000 52112.6364 -109873.9945 299.4920 -161986.6310 -109512.3504 298.9255 118.3778 142.9746 760878.9767 -14.5225 -14.5409 PRESSURE: 718600 123.767 -97.401 176.512 -97.4016 116.639 -198.005 176.511 -198.005 344.273 GPRESSURE: 718600 186.316 -97.6952 122.392 -39.4971 146.35 -176.183 57.0632 -241.194 340.714 PRESSAVG: 718600 3.31851 1.28745 13.5474 1.28745 -34.1253 -6.60539 13.5474 -6.60536 3.73489 GPRESSAVG: 718600 3.38787 0.120544 15.0011 0.14594 -33.9639 -7.64772 11.7393 -5.47922 3.76103 TIMING: 718600 CPU: 2260.88, 0.00311206/step Wall: 2260.88, 0.00311206/step, 3.70111 hours remaining, 233.140625 MB of memory in use. ENERGY: 718600 3936.4679 20508.2706 14364.6724 240.1778 -203515.3260 2715.8261 0.0000 0.0000 51966.3738 -109783.5375 298.6515 -161749.9112 -109421.1423 298.7676 194.8930 224.4598 761290.2449 -9.0240 -8.9383 PRESSURE: 718800 -84.1153 -118.003 119.977 -118.004 201.4 219.53 119.977 219.529 -117.934 GPRESSURE: 718800 -24.0961 -23.3766 155.748 -142.377 208.376 192.188 -27.905 298.443 -97.2923 PRESSAVG: 718800 14.5272 7.17353 44.9865 7.17356 -39.8304 -26.4234 44.9865 -26.4234 -28.433 GPRESSAVG: 718800 14.9465 5.53988 42.7298 7.69972 -40.8679 -24.8006 45.3279 -27.2429 -27.0903 TIMING: 718800 CPU: 2261.5, 0.00311971/step Wall: 2261.5, 0.00311971/step, 3.71003 hours remaining, 233.140625 MB of memory in use. ENERGY: 718800 3910.1478 20347.2757 14501.7720 249.2109 -203610.0089 2636.9658 0.0000 0.0000 52152.3426 -109812.2941 299.7202 -161964.6367 -109450.1947 299.1595 -0.2167 28.9958 759255.0123 -17.9120 -17.6705 PRESSURE: 719000 78.1614 -153.968 -15.4602 -153.969 256.409 42.4872 -15.4602 42.4872 61.9261 GPRESSURE: 719000 97.7131 -103.822 -39.9665 -98.9002 307.273 -27.6064 -8.12122 92.3942 89.5702 PRESSAVG: 719000 16.6821 -45.4462 51.7056 -45.4461 3.86088 -40.1364 51.7056 -40.1364 3.12933 GPRESSAVG: 719000 16.4736 -44.1458 52.7491 -45.3875 4.73465 -40.5359 49.9741 -41.3664 2.34586 TIMING: 719000 CPU: 2262.13, 0.0031216/step Wall: 2262.13, 0.0031216/step, 3.71211 hours remaining, 233.140625 MB of memory in use. ENERGY: 719000 3957.5226 20425.7648 14443.2141 250.6201 -203394.9600 2584.2265 0.0000 0.0000 52054.3362 -109679.2758 299.1570 -161733.6119 -109323.1064 298.7939 132.1656 164.8521 759826.3515 7.8908 7.8514 PRESSURE: 719200 -239.608 -53.9881 145.801 -53.9887 -172.798 96.8486 145.801 96.8486 -280.699 GPRESSURE: 719200 -138.814 -43.6683 100.675 -34.6126 -222.339 206.211 163.517 176.852 -241.996 PRESSAVG: 719200 -13.6955 -69.9634 -34.8272 -69.9634 15.2453 23.4204 -34.8272 23.4204 4.44942 GPRESSAVG: 719200 -12.8459 -70.6742 -35.4559 -69.2927 14.561 23.5995 -33.194 25.2676 4.1931 TIMING: 719200 CPU: 2262.75, 0.00312482/step Wall: 2262.75, 0.00312482/step, 3.71576 hours remaining, 233.140625 MB of memory in use. ENERGY: 719200 3975.6566 20369.8865 14425.4934 253.0050 -202499.1815 2163.8339 0.0000 0.0000 51938.1894 -109373.1167 298.4895 -161311.3062 -109012.3823 299.3031 -231.0349 -201.0496 762437.1115 1.9997 1.9694 PRESSURE: 719400 -76.2036 90.6429 345.513 90.6436 -78.2579 -289.109 345.513 -289.109 -272.921 GPRESSURE: 719400 -40.6418 56.5537 388.599 38.0078 7.21144 -285.808 245.87 -339.58 -296.153 PRESSAVG: 719400 77.9834 -40.1762 83.4239 -40.1762 -45.3657 6.47601 83.4238 6.47604 31.6293 GPRESSAVG: 719400 77.0075 -40.4992 83.3628 -41.216 -44.8283 6.56952 82.2386 5.26185 32.3886 TIMING: 719400 CPU: 2263.38, 0.00312559/step Wall: 2263.38, 0.00312559/step, 3.71649 hours remaining, 233.140625 MB of memory in use. ENERGY: 719400 4036.6043 20512.3082 14452.1082 244.3405 -202860.7781 2294.4154 0.0000 0.0000 51919.3192 -109401.6824 298.3810 -161321.0016 -109038.9189 299.1310 -142.4607 -109.8610 761642.6774 21.4157 21.5226 PRESSURE: 719600 154.4 -197.087 50.91 -197.087 -15.8221 116.65 50.9088 116.648 176.678 GPRESSURE: 719600 145.173 -229.222 31.8321 -257.113 35.9529 185.952 66.2841 39.2644 197.472 PRESSAVG: 719600 78.9015 -29.0029 33.2778 -29.003 -44.816 1.63038 33.2779 1.63034 -18.1855 GPRESSAVG: 719600 78.9844 -27.0215 33.0986 -30.5416 -44.2508 1.6045 33.152 1.74318 -18.9081 TIMING: 719600 CPU: 2264, 0.00311677/step Wall: 2264, 0.00311677/step, 3.70584 hours remaining, 233.140625 MB of memory in use. ENERGY: 719600 3876.3726 20514.7533 14380.8596 240.4179 -203086.0047 2568.4958 0.0000 0.0000 51867.5523 -109637.5532 298.0835 -161505.1055 -109274.9875 298.9326 105.0852 126.1992 761490.1803 5.3000 5.2752 PRESSURE: 719800 133.516 -82.2066 -88.0333 -82.2066 22.3709 133.148 -88.0322 133.148 156.732 GPRESSURE: 719800 127.586 -79.4968 -124.576 -62.9765 141.217 118.366 -49.0757 48.3854 165.407 PRESSAVG: 719800 57.1535 -23.0038 -46.0036 -23.0038 -46.2417 41.4006 -46.0036 41.4005 -10.2336 GPRESSAVG: 719800 57.5513 -26.1748 -43.136 -20.6976 -46.7899 40.2267 -45.1641 40.6943 -9.77194 TIMING: 719800 CPU: 2264.62, 0.00311944/step Wall: 2264.62, 0.00311944/step, 3.70884 hours remaining, 233.140625 MB of memory in use. ENERGY: 719800 3948.7867 20248.8302 14462.0727 255.6036 -203351.4264 2841.3095 0.0000 0.0000 51941.3728 -109653.4510 298.5078 -161594.8238 -109291.1355 298.4629 104.2061 144.7367 760878.8994 0.2261 0.3298 PRESSURE: 720000 -147.013 125.798 -22.8183 125.798 -260.041 200.369 -22.8184 200.368 122.818 GPRESSURE: 720000 -138.45 37.0427 -123.211 -59.3532 -157.836 239.121 46.8809 122.993 90.1351 PRESSAVG: 720000 69.9787 -9.64419 -18.5533 -9.64412 -67.0537 27.6642 -18.5533 27.6642 -6.05206 GPRESSAVG: 720000 69.8476 -7.83786 -20.4547 -10.85 -65.3445 29.6751 -17.9995 29.5284 -7.32316 TIMING: 720000 CPU: 2265.25, 0.00312669/step Wall: 2265.25, 0.00312669/step, 3.71728 hours remaining, 233.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 720000 4040.6780 20389.6470 14496.0459 273.3263 -203475.5612 2607.5759 0.0000 0.0000 51895.5096 -109772.7785 298.2442 -161668.2881 -109421.2980 299.1077 -94.7456 -68.7169 759454.5703 -1.0424 -0.9400 PRESSURE: 720200 -244.183 -43.1545 -106.743 -43.1547 -319.389 143.014 -106.743 143.012 21.7118 GPRESSURE: 720200 -242.117 -56.9788 -160.526 -69.0975 -252.978 244.352 -90.3676 41.2197 30.4942 PRESSAVG: 720200 1.61811 -34.0845 -23.8774 -34.0845 -38.2175 20.2575 -23.8774 20.2575 5.62214 GPRESSAVG: 720200 1.74403 -35.4459 -25.0957 -34.0036 -40.5489 19.7206 -22.5316 18.9005 7.35089 TIMING: 720200 CPU: 2265.87, 0.00312038/step Wall: 2265.87, 0.00312038/step, 3.70961 hours remaining, 233.140625 MB of memory in use. ENERGY: 720200 3910.6430 20294.9351 14403.3066 255.9312 -202709.1418 2128.3549 0.0000 0.0000 52094.4100 -109621.5609 299.3873 -161715.9709 -109249.2511 298.8198 -180.6200 -154.8667 761064.9563 -10.3257 -10.4847 LDB: ============= START OF LOAD BALANCING ============== 2278.27 LDB: ============== END OF LOAD BALANCING =============== 2278.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2278.27 LDB: ============= START OF LOAD BALANCING ============== 2278.59 LDB: Largest compute 7036 load 0.033779 is 17.2% of average load 0.195829 LDB: Average compute 0.004389 is 2.2% of average load 0.195829 LDB: TIME 2278.59 LOAD: AVG 0.195829 MAX 0.215557 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.395 MB LDB: TIME 2278.59 LOAD: AVG 0.195829 MAX 0.215557 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: TIME 2278.59 LOAD: AVG 0.195829 MAX 0.215557 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: ============== END OF LOAD BALANCING =============== 2278.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2278.6 PRESSURE: 720400 274.443 -95.8615 53.7433 -95.8609 83.0108 56.5259 53.7424 56.5262 688.786 GPRESSURE: 720400 315.09 -41.8185 61.7336 -119.046 145.723 40.9916 66.1246 -91.4402 681.398 PRESSAVG: 720400 36.3897 -28.9511 -4.36651 -28.951 -21.1776 -6.27665 -4.3665 -6.2766 -2.98993 GPRESSAVG: 720400 36.2518 -28.7697 -2.78104 -27.7848 -19.9913 -7.42681 -6.7909 -4.12352 -3.31848 TIMING: 720400 CPU: 2266.51, 0.0032068/step Wall: 2266.51, 0.0032068/step, 3.81217 hours remaining, 232.898438 MB of memory in use. ENERGY: 720400 3958.1724 20398.7861 14384.8126 238.1451 -203483.2944 2687.2519 0.0000 0.0000 51976.9011 -109839.2254 298.7120 -161816.1264 -109481.4249 299.1385 348.7467 380.7371 757994.4247 4.0740 4.3140 PRESSURE: 720600 77.0712 -85.0197 -45.2629 -85.0187 272.077 -124.818 -45.2636 -124.818 339.599 GPRESSURE: 720600 63.8422 -109.457 -125.932 -87.6702 296.373 -203.141 -42.4321 -36.4549 396.249 PRESSAVG: 720600 4.12105 -11.4605 30.0877 -11.4605 14.1431 -7.69957 30.0878 -7.69956 9.53439 GPRESSAVG: 720600 3.53902 -9.37241 28.3078 -12.8131 13.6666 -7.30148 33.7318 -8.21429 9.72801 TIMING: 720600 CPU: 2267.14, 0.00315217/step Wall: 2267.14, 0.00315217/step, 3.74705 hours remaining, 232.988281 MB of memory in use. ENERGY: 720600 3949.9365 20567.5868 14363.7420 243.2801 -203579.5464 2431.6625 0.0000 0.0000 51957.9240 -110065.4145 298.6029 -162023.3385 -109707.1670 298.4806 229.5825 252.1547 759334.9823 9.2662 8.9779 PRESSURE: 720800 -156.243 -40.2866 -141.667 -40.2858 -65.1361 -37.7046 -141.668 -37.7053 -497.997 GPRESSURE: 720800 -211.745 -89.6188 -116.549 57.8377 -16.1144 -81.6936 -42.3876 110.527 -412.197 PRESSAVG: 720800 14.6094 -40.5686 -8.21946 -40.5686 -13.7594 -37.3378 -8.21946 -37.3378 -14.867 GPRESSAVG: 720800 14.0826 -42.566 -8.36708 -39.097 -13.5633 -36.5544 -8.33552 -36.8158 -14.4097 TIMING: 720800 CPU: 2267.77, 0.00311882/step Wall: 2267.77, 0.00311882/step, 3.70724 hours remaining, 232.988281 MB of memory in use. ENERGY: 720800 4098.3701 20307.0607 14418.6099 252.2476 -203373.9679 2457.2967 0.0000 0.0000 51815.0589 -110025.3240 297.7819 -161840.3829 -109675.0716 297.6194 -239.7921 -213.3524 761222.4590 -4.6723 -4.6301 PRESSURE: 721000 -348.058 57.2046 164.213 57.2046 -124.571 49.8163 164.214 49.8156 -13.4539 GPRESSURE: 721000 -238.268 78.6172 223.003 67.8987 -181.784 36.6905 55.5274 27.9923 29.1087 PRESSAVG: 721000 14.3034 -24.1162 32.9454 -24.1162 12.2723 -25.7493 32.9454 -25.7493 -18.6847 GPRESSAVG: 721000 14.7964 -22.7518 34.4039 -22.6769 11.3724 -25.4305 33.3005 -26.4715 -18.5223 TIMING: 721000 CPU: 2268.39, 0.00311893/step Wall: 2268.39, 0.00311893/step, 3.7072 hours remaining, 232.988281 MB of memory in use. ENERGY: 721000 3960.7144 20288.2920 14330.7879 239.8062 -202992.0291 2232.1734 0.0000 0.0000 51988.7852 -109951.4699 298.7803 -161940.2551 -109588.4359 298.2018 -162.0277 -130.3145 760051.8539 2.6303 2.5488 PRESSURE: 721200 36.4414 -112.622 106.958 -112.621 -334.22 214.985 106.958 214.984 -95.8953 GPRESSURE: 721200 13.4755 -53.5611 57.7354 -190.717 -246.753 164.297 66.4991 12.7877 -90.1764 PRESSAVG: 721200 2.79124 -77.9706 -23.936 -77.9707 3.48279 -11.7259 -23.936 -11.7258 -4.86938 GPRESSAVG: 721200 2.8131 -78.3232 -25.6962 -81.0983 4.18962 -12.0614 -25.4174 -12.055 -6.05049 TIMING: 721200 CPU: 2269.02, 0.0031236/step Wall: 2269.02, 0.0031236/step, 3.71257 hours remaining, 232.988281 MB of memory in use. ENERGY: 721200 3961.5243 20382.3839 14394.5630 230.5905 -203285.4617 2282.0462 0.0000 0.0000 51907.1405 -110127.2133 298.3110 -162034.3537 -109760.2078 298.0035 -131.2246 -107.8180 760224.5483 0.4682 0.3174 PRESSURE: 721400 26.9561 -179.443 -47.9646 -179.443 -191.365 -223.373 -47.9645 -223.373 -138.388 GPRESSURE: 721400 47.0328 -224.363 -92.6261 -172.919 -198.05 -275.686 -151.864 -313.244 -67.6226 PRESSAVG: 721400 17.9828 -47.2118 -59.7601 -47.2118 -51.7029 18.2354 -59.76 18.2354 -1.83479 GPRESSAVG: 721400 18.4317 -46.1075 -57.2998 -47.2194 -52.1554 18.278 -62.6434 16.2993 -1.40262 TIMING: 721400 CPU: 2269.64, 0.00312847/step Wall: 2269.64, 0.00312847/step, 3.71818 hours remaining, 232.988281 MB of memory in use. ENERGY: 721400 3966.3224 20415.7084 14425.4212 243.6087 -203362.8762 2571.9417 0.0000 0.0000 51826.4904 -109913.3834 297.8476 -161739.8738 -109550.4310 298.2997 -100.9321 -72.8801 760004.0729 -11.8516 -11.7088 PRESSURE: 721600 -207.685 10.1245 -5.15416 10.1244 -318.971 -208.755 -5.15457 -208.754 -245.186 GPRESSURE: 721600 -210.808 97.018 -55.3865 114.674 -220.709 -122.175 18.0739 -292.617 -253.355 PRESSAVG: 721600 15.5699 16.2592 31.4228 16.2592 5.15701 11.0239 31.4228 11.0239 6.23011 GPRESSAVG: 721600 15.297 16.0585 28.5762 18.3023 5.5525 11.1017 35.701 12.7326 6.15369 TIMING: 721600 CPU: 2270.27, 0.00313619/step Wall: 2270.27, 0.00313619/step, 3.72719 hours remaining, 232.988281 MB of memory in use. ENERGY: 721600 3953.7543 20275.7960 14389.8278 238.0491 -202941.7970 2195.2996 0.0000 0.0000 51856.7202 -110032.3499 298.0213 -161889.0701 -109659.5219 298.2042 -257.2807 -228.2908 760413.1478 8.9857 9.0011 PRESSURE: 721800 -392.221 41.748 -124.404 41.7482 -171.767 225.244 -124.403 225.245 -66.2297 GPRESSURE: 721800 -415.025 -56.1201 -123.524 -14.7038 -137.399 142.318 -115.11 7.11445 11.5862 PRESSAVG: 721800 9.86179 -69.8878 -19.0474 -69.8877 4.92322 -12.2556 -19.0475 -12.2556 -8.86885 GPRESSAVG: 721800 11.0843 -71.6776 -17.2306 -70.7964 5.49601 -11.9077 -19.8004 -14.6885 -9.65202 TIMING: 721800 CPU: 2270.9, 0.00312989/step Wall: 2270.9, 0.00312989/step, 3.71953 hours remaining, 232.988281 MB of memory in use. ENERGY: 721800 3966.5294 20394.4380 14408.4881 272.9988 -203678.8759 2735.0649 0.0000 0.0000 52096.2818 -109805.0748 299.3980 -161901.3565 -109453.7451 298.5932 -210.0727 -180.2795 760262.4405 1.9721 2.3094 PRESSURE: 722000 -167.721 115.524 -63.4724 115.525 -127.413 96.7585 -63.4714 96.758 -73.3241 GPRESSURE: 722000 -156.314 52.2675 -36.1287 133.281 -82.8231 41.8802 -55.7432 -40.2757 -57.5394 PRESSAVG: 722000 20.9423 33.4966 -27.6061 33.4966 40.7121 -20.2608 -27.6061 -20.2608 20.3477 GPRESSAVG: 722000 19.7818 34.925 -27.7836 32.7096 40.837 -20.049 -29.59 -19.3242 21.5277 TIMING: 722000 CPU: 2271.52, 0.00311721/step Wall: 2271.52, 0.00311721/step, 3.70429 hours remaining, 232.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 722000 3928.0120 20416.0660 14410.5531 231.2050 -203227.0080 2486.6580 0.0000 0.0000 52021.6115 -109732.9024 298.9689 -161754.5139 -109376.2065 298.7497 -122.8193 -98.8922 761697.0339 27.3340 27.3822 PRESSURE: 722200 37.5641 34.5114 295.304 34.5109 -209.011 105.788 295.304 105.788 -36.7281 GPRESSURE: 722200 14.7371 74.1913 293.518 25.3252 -113.82 86.2305 204.998 180.247 -18.6156 PRESSAVG: 722200 -10.7217 10.6451 25.7063 10.645 19.1745 -39.6486 25.7063 -39.6485 -5.75344 GPRESSAVG: 722200 -10.129 9.88682 26.5478 9.55159 19.0873 -41.7892 25.6364 -37.9244 -6.2837 TIMING: 722200 CPU: 2272.14, 0.00312185/step Wall: 2272.14, 0.00312185/step, 3.70962 hours remaining, 232.988281 MB of memory in use. ENERGY: 722200 4001.0023 20429.1156 14396.6957 237.7464 -203572.1440 2585.1088 0.0000 0.0000 52055.5988 -109866.8763 299.1642 -161922.4751 -109499.8716 298.9009 -69.3918 -39.2329 760317.6479 0.8998 0.8915 PRESSURE: 722400 152.416 118.469 74.6071 118.469 155.171 -135.081 74.6066 -135.082 343.576 GPRESSURE: 722400 249.868 -21.8572 91.9373 188.096 173.855 -123.777 -54.6026 -78.8019 306.534 PRESSAVG: 722400 -13.1489 -5.67797 52.6227 -5.67794 21.4414 -51.6161 52.6228 -51.6162 14.0337 GPRESSAVG: 722400 -13.6881 -5.40749 53.3602 -6.16044 21.0609 -51.0131 52.9084 -50.2074 14.8381 TIMING: 722400 CPU: 2272.77, 0.00311532/step Wall: 2272.77, 0.00311532/step, 3.70169 hours remaining, 232.988281 MB of memory in use. ENERGY: 722400 3985.0943 20399.5428 14417.9645 244.5650 -203777.1978 2956.9564 0.0000 0.0000 52127.6003 -109645.4745 299.5780 -161773.0748 -109284.2642 298.5621 217.0541 243.4189 760093.8170 7.4421 7.4036 PRESSURE: 722600 2.51037 -69.9151 210.26 -69.9149 -333.68 -30.0881 210.261 -30.088 -159.904 GPRESSURE: 722600 -0.11679 32.1415 235.646 -49.7777 -230.198 43.1277 95.1701 -193.087 -178.274 PRESSAVG: 722600 10.2387 48.9149 50.5347 48.9148 -28.6653 -14.5193 50.5348 -14.5193 -1.12439 GPRESSAVG: 722600 10.4588 48.3371 48.6322 48.9633 -28.0021 -13.2277 50.4211 -15.8931 -2.53752 TIMING: 722600 CPU: 2273.39, 0.00311577/step Wall: 2273.39, 0.00311577/step, 3.70205 hours remaining, 232.988281 MB of memory in use. ENERGY: 722600 3987.9303 20395.5535 14473.3473 266.3730 -203433.6925 2620.5329 0.0000 0.0000 52018.1447 -109671.8108 298.9490 -161689.9554 -109303.5384 299.1000 -163.6912 -136.1960 760572.2356 -6.5170 -6.6936 PRESSURE: 722800 -84.7311 -180.932 -189.709 -180.931 -110.065 93.303 -189.708 93.3038 -144.884 GPRESSURE: 722800 -68.728 -330.776 -106.355 -74.6259 -95.332 54.5873 -13.0778 159.464 -117.892 PRESSAVG: 722800 41.888 -22.7798 16.2793 -22.7798 -35.2461 18.1815 16.2793 18.1816 -1.75289 GPRESSAVG: 722800 41.181 -22.0322 14.6672 -21.4841 -35.9284 18.6453 18.294 17.4259 -1.3106 TIMING: 722800 CPU: 2274.01, 0.00311046/step Wall: 2274.01, 0.00311046/step, 3.69557 hours remaining, 232.988281 MB of memory in use. ENERGY: 722800 4074.6277 20452.4098 14451.7259 251.7453 -203334.8619 2467.6067 0.0000 0.0000 52278.3721 -109358.3744 300.4445 -161636.7465 -109002.4791 299.4228 -113.2266 -93.9839 761154.1538 1.6297 1.3140 PRESSURE: 723000 -65.7435 -175.638 -98.6003 -175.638 31.9987 -146.589 -98.6002 -146.59 -159.795 GPRESSURE: 723000 33.7005 -106.763 -78.6375 -228.448 -28.72 -175.637 -220.668 -112.318 -100.744 PRESSAVG: 723000 9.82631 -78.7289 13.027 -78.7289 8.42471 32.0699 13.0271 32.0699 -5.18755 GPRESSAVG: 723000 9.34519 -77.3553 14.0067 -78.6489 6.93552 31.8133 12.3851 31.8022 -3.53431 TIMING: 723000 CPU: 2274.64, 0.00314612/step Wall: 2274.64, 0.00314612/step, 3.73776 hours remaining, 232.988281 MB of memory in use. ENERGY: 723000 4076.2034 20357.9330 14464.1288 271.7054 -203591.0684 2851.1007 0.0000 0.0000 51987.7506 -109582.2465 298.7743 -161569.9971 -109211.6704 299.9107 -64.5131 -31.9213 759754.9936 4.3545 4.2488 PRESSURE: 723200 -218.3 -172.039 -54.4542 -172.039 11.971 157.837 -54.4539 157.837 677.426 GPRESSURE: 723200 -129.765 -318.064 7.41904 -173.312 105.28 144.825 -133.761 206.441 583.572 PRESSAVG: 723200 1.75465 -40.7927 -26.3571 -40.7927 -15.2786 -36.3441 -26.3571 -36.3439 14.1721 GPRESSAVG: 723200 2.89982 -41.9706 -27.2841 -40.6566 -14.3912 -38.1051 -27.3819 -35.1739 12.6194 TIMING: 723200 CPU: 2275.26, 0.00311237/step Wall: 2275.26, 0.00311237/step, 3.69749 hours remaining, 232.988281 MB of memory in use. ENERGY: 723200 3993.6558 20535.6300 14464.0719 247.9194 -203259.2171 2526.7096 0.0000 0.0000 52060.6183 -109430.6121 299.1931 -161491.2304 -109077.0310 299.5017 157.0322 186.3621 759987.7531 0.2160 0.3760 PRESSURE: 723400 -118.576 -27.0095 37.3292 -27.0098 -328.465 -120.96 37.3294 -120.96 -38.7526 GPRESSURE: 723400 -43.5391 -15.5383 -34.7224 -139.86 -407.165 -114.537 115.94 -151.928 50.9304 PRESSAVG: 723400 -35.3019 -35.2154 -34.274 -35.2155 -11.1707 -51.9466 -34.274 -51.9466 0.306529 GPRESSAVG: 723400 -34.0826 -34.6001 -34.4791 -35.4837 -11.2192 -51.0659 -32.7153 -52.52 -0.521076 TIMING: 723400 CPU: 2275.89, 0.00311766/step Wall: 2275.89, 0.00311766/step, 3.70361 hours remaining, 232.988281 MB of memory in use. ENERGY: 723400 3961.1439 20583.1967 14450.3130 249.4231 -203027.8757 2176.2743 0.0000 0.0000 51878.0253 -109729.4995 298.1437 -161607.5248 -109380.6648 299.1188 -161.9313 -133.2579 761234.1225 -15.3887 -15.2743 PRESSURE: 723600 127.571 239.742 152.303 239.742 -228.59 -314.587 152.303 -314.588 15.4191 GPRESSURE: 723600 79.6426 151.406 139.517 97.5443 -96.3198 -292.213 75.833 -370.737 17.7397 PRESSAVG: 723600 -3.48719 -13.5793 -12.606 -13.5793 -5.34438 -51.768 -12.606 -51.768 10.8519 GPRESSAVG: 723600 -4.33373 -14.6054 -12.3039 -14.3203 -5.08056 -51.8009 -14.3068 -53.3946 11.2314 TIMING: 723600 CPU: 2276.51, 0.00313318/step Wall: 2276.51, 0.00313318/step, 3.72187 hours remaining, 232.988281 MB of memory in use. ENERGY: 723600 4037.2996 20567.7520 14392.5798 251.0461 -203752.6925 2553.9690 0.0000 0.0000 52127.5940 -109822.4521 299.5780 -161950.0460 -109464.1973 298.9566 -28.5332 0.3542 760041.4728 0.6734 0.6057 PRESSURE: 723800 -432.338 29.4422 215.567 29.4425 -179.996 84.7997 215.568 84.8004 97.5979 GPRESSURE: 723800 -411.395 -32.6569 171.999 -2.80631 -79.1165 80.6555 212.754 142.316 84.5003 PRESSAVG: 723800 -5.29252 -3.81542 -5.78053 -3.81541 10.3348 27.6282 -5.78051 27.6281 9.79782 GPRESSAVG: 723800 -6.77874 -4.20229 -5.64076 -4.21233 10.239 27.8089 -4.64892 28.8963 11.2824 TIMING: 723800 CPU: 2277.14, 0.00313549/step Wall: 2277.14, 0.00313549/step, 3.72444 hours remaining, 232.988281 MB of memory in use. ENERGY: 723800 3993.8250 20647.5740 14329.7704 238.9703 -203388.3586 2427.7680 0.0000 0.0000 52038.5175 -109711.9334 299.0661 -161750.4509 -109356.5545 299.5868 -171.5787 -135.3370 760832.6922 4.9467 4.9142 PRESSURE: 724000 -233.028 -166.522 -30.6133 -166.522 127.778 179.861 -30.613 179.861 26.3903 GPRESSURE: 724000 -196.838 -199.918 -20.2222 -108.734 81.3207 167.486 -16.3918 151.121 118.081 PRESSAVG: 724000 -17.8765 -36.7059 -23.6332 -36.7058 10.3013 -35.1237 -23.6331 -35.1238 19.7363 GPRESSAVG: 724000 -16.0261 -36.3541 -25.3152 -35.3514 8.8266 -35.303 -22.6273 -33.4318 19.0086 TIMING: 724000 CPU: 2277.76, 0.00311617/step Wall: 2277.76, 0.00311617/step, 3.70132 hours remaining, 232.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 724000 3981.3191 20564.9851 14405.4412 238.1961 -203424.3101 2602.0792 0.0000 0.0000 51839.5323 -109792.7570 297.9225 -161632.2893 -109423.4772 299.0929 -26.2864 0.8543 761107.5731 4.0537 3.9363 PRESSURE: 724200 -287.219 -180.967 168.059 -180.967 -427.466 -67.4911 168.06 -67.4913 -76.9139 GPRESSURE: 724200 -313.231 -129.209 210.076 -313.18 -285.531 -16.4071 -45.5466 -170.532 -100.66 PRESSAVG: 724200 -29.6537 -42.6531 4.5687 -42.6531 -9.71068 -42.0708 4.5686 -42.0709 27.8374 GPRESSAVG: 724200 -31.0723 -41.3129 5.06817 -45.1141 -8.48747 -41.8246 2.90456 -42.509 27.6998 TIMING: 724200 CPU: 2278.39, 0.00311456/step Wall: 2278.39, 0.00311456/step, 3.69923 hours remaining, 232.988281 MB of memory in use. ENERGY: 724200 4056.5642 20544.5643 14429.1632 231.4960 -203222.6181 2256.1916 0.0000 0.0000 51922.4009 -109782.2378 298.3988 -161704.6387 -109424.1200 299.0960 -263.8665 -233.1408 758310.9250 -3.8423 -3.9533 LDB: ============= START OF LOAD BALANCING ============== 2290.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2290.78 LDB: =============== DONE WITH MIGRATION ================ 2290.78 LDB: ============= START OF LOAD BALANCING ============== 2291.1 LDB: Largest compute 7078 load 0.031669 is 16.2% of average load 0.195775 LDB: Average compute 0.004382 is 2.2% of average load 0.195775 LDB: TIME 2291.1 LOAD: AVG 0.195775 MAX 0.214987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.676 MB LDB: TIME 2291.1 LOAD: AVG 0.195775 MAX 0.214987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: TIME 2291.1 LOAD: AVG 0.195775 MAX 0.214987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: ============== END OF LOAD BALANCING =============== 2291.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2291.11 PRESSURE: 724400 119.977 -29.5902 -19.305 -29.5895 308.387 -64.7381 -19.3048 -64.7392 489.402 GPRESSURE: 724400 174.642 -54.4763 -64.6847 17.3801 297.697 15.3929 -59.8001 -52.8723 521.906 PRESSAVG: 724400 21.0133 -17.6468 -26.4335 -17.6468 35.8917 13.0628 -26.4335 13.0628 9.14692 GPRESSAVG: 724400 21.5679 -20.3834 -25.428 -14.8064 35.7835 13.9054 -26.7337 12.0191 9.01009 TIMING: 724400 CPU: 2279.03, 0.00319387/step Wall: 2279.03, 0.00319387/step, 3.79325 hours remaining, 232.933594 MB of memory in use. ENERGY: 724400 3929.6536 20501.2517 14429.2456 243.2751 -203380.7324 2551.9337 0.0000 0.0000 51964.9174 -109760.4552 298.6431 -161725.3727 -109407.7977 298.7668 305.9219 331.4151 758757.0106 22.0173 22.1205 PRESSURE: 724600 -388.494 -128.602 -44.3399 -128.603 -283.657 -192.806 -44.3393 -192.806 -33.4799 GPRESSURE: 724600 -352.113 -51.7411 14.7141 -201.591 -202.986 -208.265 -56.2174 -96.7638 -78.4752 PRESSAVG: 724600 -21.8498 -92.9139 -39.869 -92.9138 24.9238 -30.283 -39.869 -30.2831 -10.1348 GPRESSAVG: 724600 -21.5305 -92.4151 -38.6763 -94.1927 24.5835 -31.6484 -40.2653 -30.3466 -10.2331 TIMING: 724600 CPU: 2279.65, 0.00312145/step Wall: 2279.65, 0.00312145/step, 3.70706 hours remaining, 232.988281 MB of memory in use. ENERGY: 724600 4029.6025 20527.7314 14468.2736 257.6610 -203074.7166 2246.8713 0.0000 0.0000 51854.5476 -109690.0291 298.0088 -161544.5768 -109322.9428 298.4249 -235.2100 -211.1915 758713.8400 -2.3536 -2.3934 PRESSURE: 724800 137.97 254.029 62.8324 254.028 -244.109 -3.37921 62.8324 -3.37966 18.6015 GPRESSURE: 724800 220.409 209.433 103.977 243.225 -238.248 -96.8213 59.7312 -41.8448 0.888451 PRESSAVG: 724800 22.931 -58.8799 -6.07429 -58.8799 -18.8306 -49.3877 -6.07432 -49.3877 3.96983 GPRESSAVG: 724800 22.467 -58.0555 -5.90235 -57.8862 -17.6556 -50.1807 -4.401 -50.9679 3.31369 TIMING: 724800 CPU: 2280.28, 0.00312791/step Wall: 2280.28, 0.00312791/step, 3.71456 hours remaining, 232.988281 MB of memory in use. ENERGY: 724800 3980.5094 20599.6611 14411.3377 261.0650 -203230.2696 2378.4596 0.0000 0.0000 52038.1215 -109561.1154 299.0638 -161599.2369 -109195.4220 299.3052 -29.1790 -5.6502 759392.2429 2.6901 2.7084 PRESSURE: 725000 238.364 -104.859 39.406 -104.858 479.813 27.846 39.4066 27.845 499.787 GPRESSURE: 725000 315.201 -182.514 -69.8275 -91.3693 497.905 122.161 69.7116 41.0132 488.396 PRESSAVG: 725000 -5.3304 4.91151 27.2449 4.91153 -11.5018 16.5176 27.245 16.5176 17.303 GPRESSAVG: 725000 -3.67014 3.33148 25.7956 6.61235 -13.4157 17.6598 26.4744 17.0057 17.5497 TIMING: 725000 CPU: 2280.9, 0.00310641/step Wall: 2280.9, 0.00310641/step, 3.68886 hours remaining, 232.988281 MB of memory in use. ENERGY: 725000 3971.3761 20287.7596 14352.2823 253.8311 -203764.9431 3023.9032 0.0000 0.0000 52053.1015 -109822.6893 299.1499 -161875.7908 -109461.4288 299.1422 405.9879 433.8340 759206.7148 0.1569 0.1546 PRESSURE: 725200 233.455 -23.8245 -3.00149 -23.8243 -99.3657 -5.72325 -3.00174 -5.72352 -334.55 GPRESSURE: 725200 270.737 -36.0508 74.9338 -55.1017 -124.721 -59.7221 -19.7347 -25.7131 -280.062 PRESSAVG: 725200 -10.5876 -10.2218 -20.8472 -10.2219 29.5908 -28.0872 -20.8472 -28.0872 25.4902 GPRESSAVG: 725200 -11.9447 -9.93091 -19.1989 -12.5018 30.4933 -27.0603 -20.6148 -27.8038 25.639 TIMING: 725200 CPU: 2281.52, 0.00311519/step Wall: 2281.52, 0.00311519/step, 3.69912 hours remaining, 232.988281 MB of memory in use. ENERGY: 725200 3957.3313 20397.3348 14409.1033 250.2131 -203757.9823 2742.2720 0.0000 0.0000 52193.1545 -109808.5733 299.9548 -162001.7278 -109442.6310 298.8332 -66.8202 -44.6823 760512.6967 14.8311 14.7292 PRESSURE: 725400 -106.273 -53.3504 -29.2457 -53.3501 -126.899 -21.1149 -29.2459 -21.1142 -103.504 GPRESSURE: 725400 -156.075 -62.0978 63.8422 26.0948 -52.042 -82.2929 65.8658 30.6962 -33.6382 PRESSAVG: 725400 9.59013 -58.14 -11.9231 -58.14 -34.1412 3.87716 -11.9232 3.87719 -12.6463 GPRESSAVG: 725400 8.61292 -57.9995 -12.3665 -56.5146 -33.8134 2.47883 -13.3668 4.83895 -12.085 TIMING: 725400 CPU: 2282.14, 0.00311874/step Wall: 2282.14, 0.00311874/step, 3.70316 hours remaining, 232.988281 MB of memory in use. ENERGY: 725400 3951.9759 20577.1374 14339.7851 238.4839 -203332.7016 2525.3365 0.0000 0.0000 51859.1023 -109840.8805 298.0350 -161699.9827 -109476.1946 299.0193 -112.2254 -80.5851 762752.6500 -12.3991 -12.4285 PRESSURE: 725600 -535.718 -183.516 -194.509 -183.515 -399.831 105.307 -194.51 105.308 -164.02 GPRESSURE: 725600 -471.838 -187.834 -204.13 -272.138 -364.316 113.515 -134.865 14.8751 -162.242 PRESSAVG: 725600 26.9814 -14.371 -73.2558 -14.3711 -16.2255 9.13855 -73.2558 9.13859 -8.77927 GPRESSAVG: 725600 27.9873 -14.2297 -74.2555 -14.9798 -16.7386 9.32849 -73.5328 10.4655 -9.27644 TIMING: 725600 CPU: 2282.77, 0.00312735/step Wall: 2282.77, 0.00312735/step, 3.71321 hours remaining, 232.988281 MB of memory in use. ENERGY: 725600 4073.5139 20453.2256 14381.3552 253.0863 -203471.9180 2478.8809 0.0000 0.0000 51970.8513 -109861.0047 298.6772 -161831.8560 -109498.0358 298.7471 -366.5232 -332.7988 762327.4252 0.6589 0.6574 PRESSURE: 725800 492.435 -140.684 98.2016 -140.684 441.448 -109.065 98.2022 -109.065 132.777 GPRESSURE: 725800 543.609 -239.046 14.9476 0.676858 464.029 -1.07825 26.5689 -44.8083 144.585 PRESSAVG: 725800 -11.3657 -23.3585 -29.7975 -23.3585 33.346 -18.9562 -29.7974 -18.9561 15.9946 GPRESSAVG: 725800 -10.84 -23.4047 -27.4137 -24.2052 33.7737 -17.9401 -29.1478 -20.0044 14.6688 TIMING: 725800 CPU: 2283.39, 0.0030993/step Wall: 2283.39, 0.0030993/step, 3.67974 hours remaining, 232.988281 MB of memory in use. ENERGY: 725800 3929.8744 20488.1320 14406.4816 246.3315 -203659.2535 2817.5873 0.0000 0.0000 52057.8586 -109712.9882 299.1772 -161770.8467 -109350.4985 299.3196 355.5534 384.0743 759330.3217 12.6583 12.5342 PRESSURE: 726000 -28.5293 -154.203 -130.021 -154.203 193.79 169.331 -130.021 169.332 -177.746 GPRESSURE: 726000 64.8871 -132.668 -172.289 -185.321 159.266 223.607 -153.811 84.0099 -151.653 PRESSAVG: 726000 26.9763 34.7444 -88.5415 34.7443 13.155 -20.7192 -88.5414 -20.7192 -16.761 GPRESSAVG: 726000 26.2632 35.1233 -89.363 37.955 12.9289 -20.7918 -88.8242 -21.3291 -15.3124 TIMING: 726000 CPU: 2284.01, 0.00312572/step Wall: 2284.01, 0.00312572/step, 3.71093 hours remaining, 232.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 726000 3962.4063 20544.1610 14448.3709 271.1398 -203638.5174 2715.0735 0.0000 0.0000 51919.7534 -109777.6125 298.3835 -161697.3659 -109412.6364 298.8327 -4.1618 24.1668 759220.8389 7.7901 7.9599 PRESSURE: 726200 -400.096 -102.913 -116.139 -102.914 -38.4698 -191.425 -116.139 -191.426 262.553 GPRESSURE: 726200 -324.574 -172.642 -128.058 -82.5178 -36.8752 -274.035 -17.424 -41.7376 264.723 PRESSAVG: 726200 -23.5812 -47.7525 -60.399 -47.7524 32.9398 15.0843 -60.399 15.0843 4.44968 GPRESSAVG: 726200 -23.8717 -46.0133 -61.2903 -51.3677 33.6794 15.0241 -59.1608 15.0475 3.99678 TIMING: 726200 CPU: 2284.64, 0.00312674/step Wall: 2284.64, 0.00312674/step, 3.71196 hours remaining, 232.988281 MB of memory in use. ENERGY: 726200 3900.5995 20621.9014 14485.5623 262.0579 -202576.1957 2186.0135 0.0000 0.0000 51769.9570 -109350.1040 297.5227 -161120.0610 -109002.0803 299.3209 -58.6709 -32.2418 761692.4249 4.6028 4.6015 PRESSURE: 726400 -45.8211 19.5167 -105.845 19.5168 41.5267 42.9131 -105.845 42.912 -33.1569 GPRESSURE: 726400 -10.6527 -23.0758 -83.4511 38.3314 115.401 -6.32394 -34.3892 88.9465 -76.24 PRESSAVG: 726400 -6.27429 -64.845 16.5579 -64.845 22.3388 -20.099 16.5579 -20.0989 10.133 GPRESSAVG: 726400 -7.28085 -65.1478 17.1123 -64.471 21.7059 -20.4219 17.5073 -18.3003 10.9616 TIMING: 726400 CPU: 2285.26, 0.00311526/step Wall: 2285.26, 0.00311526/step, 3.69816 hours remaining, 233.003906 MB of memory in use. ENERGY: 726400 4039.9654 20604.9577 14521.5059 234.9623 -203446.0918 2662.2242 0.0000 0.0000 52224.7282 -109157.7480 300.1362 -161382.4763 -108800.2626 299.5285 -12.4838 9.5027 762064.8463 8.7325 8.4622 PRESSURE: 726600 -317.56 -325.338 1.7645 -325.338 40.2123 -111.106 1.76294 -111.106 107.876 GPRESSURE: 726600 -214.855 -118.5 -76.153 -311.369 5.83373 -155.139 -18.3391 -115.03 127.749 PRESSAVG: 726600 -1.95806 -35.3273 -0.66571 -35.3273 28.0639 8.24735 -0.665852 8.2474 18.831 GPRESSAVG: 726600 -1.476 -37.8324 -0.745047 -34.0795 27.8282 8.31446 -2.72677 8.0218 18.5973 TIMING: 726600 CPU: 2285.88, 0.00310926/step Wall: 2285.88, 0.00310926/step, 3.69086 hours remaining, 233.003906 MB of memory in use. ENERGY: 726600 3979.7915 20679.1496 14447.5752 228.1900 -203119.4622 2455.3158 0.0000 0.0000 52130.4076 -109199.0325 299.5942 -161329.4401 -108843.3778 300.3535 -56.4906 -27.0910 760396.9567 14.9789 14.9832 PRESSURE: 726800 -86.0882 -101.755 89.6684 -101.756 -16.4308 -26.9603 89.6692 -26.9613 -291.84 GPRESSURE: 726800 -15.7936 -44.2322 90.6936 -253.429 -70.1614 -70.7336 68.1645 -24.4445 -222.715 PRESSAVG: 726800 0.746317 -40.9719 6.161 -40.9719 4.13971 9.60152 6.16089 9.60151 -8.52866 GPRESSAVG: 726800 1.59023 -38.3471 5.76225 -42.37 3.21209 9.28227 6.46342 9.58268 -7.22964 TIMING: 726800 CPU: 2286.51, 0.00313439/step Wall: 2286.51, 0.00313439/step, 3.72052 hours remaining, 233.003906 MB of memory in use. ENERGY: 726800 3977.9930 20499.6215 14422.2248 245.0816 -202886.9831 2231.5348 0.0000 0.0000 52129.7876 -109380.7399 299.5906 -161510.5275 -109016.6277 299.8825 -131.4528 -102.8899 760358.0222 -1.2142 -0.8091 PRESSURE: 727000 207.074 -151.536 -183.792 -151.536 -103.866 60.8694 -183.792 60.8703 -376.946 GPRESSURE: 727000 224.17 -208.969 -127.954 -7.26989 6.6066 31.2716 -244.296 36.5867 -445.022 PRESSAVG: 727000 11.8374 -74.0458 -16.1902 -74.0457 22.0401 -34.2551 -16.1902 -34.255 -27.3243 GPRESSAVG: 727000 12.0393 -76.1145 -14.9428 -73.7212 22.4168 -34.3892 -18.179 -34.1938 -28.2234 TIMING: 727000 CPU: 2287.14, 0.00313941/step Wall: 2287.14, 0.00313941/step, 3.72631 hours remaining, 233.003906 MB of memory in use. ENERGY: 727000 3981.7930 20458.8103 14362.5344 259.0255 -203360.3214 2321.9691 0.0000 0.0000 52334.5486 -109641.6405 300.7674 -161976.1891 -109278.4512 299.6071 -91.2460 -71.4151 760081.9290 2.1844 2.0776 PRESSURE: 727200 -54.4702 49.9813 -69.4434 49.9809 -33.5267 -46.9662 -69.4439 -46.966 -565.27 GPRESSURE: 727200 -48.7028 29.3863 -78.8903 111.722 -61.8643 -71.3755 -73.0957 -73.7992 -453.306 PRESSAVG: 727200 22.6081 -83.8103 -20.8721 -83.8102 2.65892 60.4265 -20.8722 60.4264 6.29279 GPRESSAVG: 727200 21.2311 -82.5834 -21.6362 -84.6012 3.81316 60.9518 -18.7382 60.8823 6.46221 TIMING: 727200 CPU: 2287.76, 0.00311899/step Wall: 2287.76, 0.00311899/step, 3.70189 hours remaining, 233.003906 MB of memory in use. ENERGY: 727200 4015.9215 20638.0126 14493.7613 245.2616 -203229.5402 2361.8394 0.0000 0.0000 52143.9509 -109330.7928 299.6720 -161474.7437 -108971.6290 299.5554 -217.7557 -187.9578 761563.4617 10.5199 10.5021 PRESSURE: 727400 -249.652 19.91 143.808 19.9097 -142.543 -260.873 143.808 -260.874 66.0433 GPRESSURE: 727400 -272.318 -113.533 85.8409 68.8058 -61.2663 -145.199 200.084 -310.004 106.839 PRESSAVG: 727400 -15.6667 -60.1389 -51.9471 -60.1389 18.5416 3.31635 -51.9471 3.31633 -1.39893 GPRESSAVG: 727400 -16.4355 -61.1234 -52.3729 -57.4202 19.3018 3.00165 -51.3102 3.34262 -1.87631 TIMING: 727400 CPU: 2288.39, 0.0031259/step Wall: 2288.39, 0.0031259/step, 3.70992 hours remaining, 233.003906 MB of memory in use. ENERGY: 727400 4000.5934 20391.2100 14495.1451 253.1189 -202700.0976 2181.6288 0.0000 0.0000 52112.4559 -109265.9455 299.4910 -161378.4014 -108894.1522 300.3818 -108.7170 -75.5817 759768.9069 0.4920 0.3300 PRESSURE: 727600 99.7712 110.288 -112.488 110.288 -169.962 291.257 -112.487 291.257 105.542 GPRESSURE: 727600 130.386 80.2331 -123.137 70.939 -38.0689 300.618 -150.929 133.051 47.6724 PRESSAVG: 727600 0.1589 -47.6435 -6.18477 -47.6435 12.6099 -31.205 -6.18486 -31.2051 -5.35822 GPRESSAVG: 727600 2.0275 -47.8557 -5.96088 -50.1278 10.7976 -28.9435 -8.55314 -33.4569 -5.38068 TIMING: 727600 CPU: 2289.01, 0.0031201/step Wall: 2289.01, 0.0031201/step, 3.70287 hours remaining, 233.003906 MB of memory in use. ENERGY: 727600 4052.2165 20431.1649 14509.7747 235.6431 -203343.8802 2560.7874 0.0000 0.0000 52238.6916 -109315.6020 300.2165 -161554.2936 -108947.8928 300.0009 11.7836 46.6632 760052.5105 2.4702 2.4815 PRESSURE: 727800 -80.6015 -248.205 -202.41 -248.206 -66.3814 7.93242 -202.412 7.9331 -107.538 GPRESSURE: 727800 -46.6697 -123.907 -103.962 -201.693 -58.9706 62.578 -106.924 -56.5961 -61.4455 PRESSAVG: 727800 1.37993 -42.2427 27.5378 -42.2426 16.1522 -19.3414 27.5378 -19.3414 -3.49068 GPRESSAVG: 727800 1.69394 -40.0279 29.089 -42.1678 16.6997 -21.8212 28.9941 -18.9243 -4.39492 TIMING: 727800 CPU: 2289.64, 0.00312495/step Wall: 2289.64, 0.00312495/step, 3.70845 hours remaining, 233.003906 MB of memory in use. ENERGY: 727800 4039.8491 20547.7063 14508.2453 234.0532 -203231.7516 2510.0192 0.0000 0.0000 52305.0766 -109086.8020 300.5980 -161391.8785 -108725.8234 300.2691 -84.8404 -55.6953 760810.9364 4.6805 4.6662 PRESSURE: 728000 95.6555 26.9883 33.3749 26.9874 -240.223 57.7377 33.3747 57.7374 5.57006 GPRESSURE: 728000 -0.946236 106.479 -44.0029 -88.2155 -80.2647 71.0906 -53.8106 86.3631 39.6675 PRESSAVG: 728000 28.5231 -69.5822 1.61989 -69.5822 17.5273 24.9868 1.61988 24.9868 23.7995 GPRESSAVG: 728000 26.9912 -69.2256 0.454608 -68.1853 17.8952 25.1869 0.388194 27.4476 24.7269 TIMING: 728000 CPU: 2290.26, 0.00313352/step Wall: 2290.26, 0.00313352/step, 3.71845 hours remaining, 233.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 728000 4024.9444 20618.6930 14462.8518 244.8893 -203397.9702 2747.6746 0.0000 0.0000 52410.4067 -108888.5104 301.2033 -161298.9171 -108533.8368 301.1278 -46.3325 -13.8478 760775.5908 23.2833 23.2045 PRESSURE: 728200 -220.97 -68.8667 -262.384 -68.8662 -230.506 152.619 -262.384 152.617 -414.902 GPRESSURE: 728200 -106.157 -111.351 -224.219 -79.6039 -260.687 125.835 -229.066 255.552 -408.996 PRESSAVG: 728200 26.3755 -70.2442 -4.79004 -70.2442 -15.8182 72.9457 -4.79006 72.9457 -17.3186 GPRESSAVG: 728200 26.3299 -72.9174 -4.80564 -68.7507 -15.6646 72.2862 -2.04165 69.634 -17.3536 TIMING: 728200 CPU: 2290.89, 0.00312377/step Wall: 2290.89, 0.00312377/step, 3.7067 hours remaining, 233.003906 MB of memory in use. ENERGY: 728200 4135.1176 20561.5580 14510.9458 262.1428 -202947.6558 2289.8825 0.0000 0.0000 52251.9307 -108936.0784 300.2926 -161188.0091 -108573.6176 300.6490 -288.7925 -258.6132 760936.7154 -2.2538 -2.2294 LDB: ============= START OF LOAD BALANCING ============== 2303.28 LDB: ============== END OF LOAD BALANCING =============== 2303.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2303.28 LDB: ============= START OF LOAD BALANCING ============== 2303.6 LDB: Largest compute 7035 load 0.032479 is 16.6% of average load 0.195662 LDB: Average compute 0.004398 is 2.2% of average load 0.195662 LDB: TIME 2303.6 LOAD: AVG 0.195662 MAX 0.216497 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.367 MB LDB: TIME 2303.6 LOAD: AVG 0.195662 MAX 0.216497 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.367 MB LDB: TIME 2303.6 LOAD: AVG 0.195662 MAX 0.216497 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.367 MB LDB: ============== END OF LOAD BALANCING =============== 2303.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2303.61 PRESSURE: 728400 -297.684 -208.288 51.7875 -208.288 -201.878 241.506 51.7876 241.505 -119.221 GPRESSURE: 728400 -224.824 -132.805 39.5989 -199.564 -212.44 313.169 -81.3539 146.74 -112.492 PRESSAVG: 728400 0.598228 12.9294 6.87258 12.9294 -14.5147 49.7685 6.87256 49.7685 -6.96595 GPRESSAVG: 728400 1.80352 15.0574 7.47653 9.12655 -16.8068 51.9773 6.13871 49.7095 -6.03403 TIMING: 728400 CPU: 2291.53, 0.00318811/step Wall: 2291.53, 0.00318811/step, 3.78286 hours remaining, 232.734375 MB of memory in use. ENERGY: 728400 4045.2169 20534.6416 14478.5687 232.4106 -202444.7614 2101.6478 0.0000 0.0000 52079.8975 -108972.3783 299.3039 -161052.2758 -108608.6961 300.9804 -206.2612 -183.2519 762457.2336 -6.9608 -7.0124 PRESSURE: 728600 -182.192 -110.311 -95.9019 -110.309 326.872 -130.176 -95.9027 -130.174 227.431 GPRESSURE: 728600 -109.508 -140.826 -83.3223 -42.0193 381.122 -124.215 -56.2511 -30.7464 166.007 PRESSAVG: 728600 14.2695 -32.1656 24.1884 -32.1655 8.42621 60.6743 24.1884 60.6743 7.7946 GPRESSAVG: 728600 14.0993 -34.7082 24.3792 -29.2698 9.01186 57.9888 23.5779 61.9732 7.22504 TIMING: 728600 CPU: 2292.15, 0.00311601/step Wall: 2292.15, 0.00311601/step, 3.69715 hours remaining, 232.976562 MB of memory in use. ENERGY: 728600 3939.8409 20548.4188 14482.6084 248.5750 -202845.9920 2284.4901 0.0000 0.0000 52210.4367 -109131.6221 300.0541 -161342.0588 -108759.6168 300.7989 124.0369 145.8736 761129.4157 10.1634 10.1121 PRESSURE: 728800 -263.734 78.289 175.661 78.2886 51.8337 62.5758 175.661 62.5757 53.982 GPRESSURE: 728800 -218.166 107.356 175.576 -11.9931 89.6055 27.5466 153.881 101.356 52.69 PRESSAVG: 728800 -3.0203 14.8332 -12.5083 14.8331 32.9961 52.778 -12.5083 52.7779 10.8737 GPRESSAVG: 728800 -2.38068 17.1449 -13.9214 13.0538 33.9044 53.5985 -13.1324 52.4396 9.68504 TIMING: 728800 CPU: 2292.78, 0.00313281/step Wall: 2292.78, 0.00313281/step, 3.71691 hours remaining, 232.976562 MB of memory in use. ENERGY: 728800 4055.3927 20685.1696 14421.3888 253.1118 -203081.3026 2220.7291 0.0000 0.0000 52147.9642 -109297.5464 299.6951 -161445.5106 -108929.3086 300.3269 -52.6395 -25.2900 761989.2929 13.6165 13.7362 PRESSURE: 729000 -288.835 -81.499 -72.4501 -81.4982 -134.339 107.334 -72.4498 107.335 -437.149 GPRESSURE: 729000 -290.739 -107.073 -92.6927 -49.029 -156.317 220.43 -93.3164 141.457 -341.622 PRESSAVG: 729000 -43.0199 5.08591 -12.4084 5.08595 25.8184 16.3504 -12.4084 16.3504 -4.15423 GPRESSAVG: 729000 -45.3834 4.9835 -11.0619 3.75094 25.9843 18.5284 -13.8766 16.1254 -2.17515 TIMING: 729000 CPU: 2293.4, 0.00311865/step Wall: 2293.4, 0.00311865/step, 3.69993 hours remaining, 232.976562 MB of memory in use. ENERGY: 729000 3956.0150 20487.0804 14394.5385 234.6089 -203250.9615 2407.2931 0.0000 0.0000 52234.9240 -109536.5016 300.1948 -161771.4256 -109168.6825 300.1349 -286.7746 -262.8924 762200.8338 -7.1186 -7.1914 PRESSURE: 729200 58.1205 142.947 251.374 142.946 -253.074 -133.842 251.374 -133.842 160.938 GPRESSURE: 729200 144.582 129.572 204.167 192.201 -239.122 -173.759 277.283 -194.776 152.787 PRESSAVG: 729200 11.2666 24.2151 -25.2032 24.2151 -0.78346 -28.2356 -25.2032 -28.2356 -8.98551 GPRESSAVG: 729200 11.9557 23.7121 -25.4098 27.1497 -0.905661 -27.4671 -24.9829 -27.4415 -9.61258 TIMING: 729200 CPU: 2294.02, 0.00311593/step Wall: 2294.02, 0.00311593/step, 3.69653 hours remaining, 233.042969 MB of memory in use. ENERGY: 729200 3981.2473 20477.6918 14391.2011 255.8930 -203230.3807 2541.0428 0.0000 0.0000 51968.9575 -109614.3473 298.6663 -161583.3047 -109246.5791 299.1536 -11.3384 19.4152 761060.0931 0.4992 0.4792 PRESSURE: 729400 -129.483 71.8888 13.8304 71.8893 -161.472 -28.0509 13.8303 -28.0512 97.848 GPRESSURE: 729400 -120.889 142.387 79.4309 59.531 -85.4391 81.7376 -16.6199 2.77828 88.8425 PRESSAVG: 729400 -5.87757 -63.482 -18.9105 -63.482 8.90521 -17.5958 -18.9105 -17.5957 11.2174 GPRESSAVG: 729400 -4.78529 -62.4109 -18.7637 -65.9588 8.83342 -20.1659 -16.22 -18.7248 10.0024 TIMING: 729400 CPU: 2294.64, 0.0031122/step Wall: 2294.64, 0.0031122/step, 3.69193 hours remaining, 233.031250 MB of memory in use. ENERGY: 729400 3952.9834 20381.3501 14319.4062 249.4074 -203199.3417 2365.2594 0.0000 0.0000 52007.0771 -109923.8580 298.8854 -161930.9351 -109564.7537 298.7492 -64.3690 -39.1619 760604.0683 4.7484 4.6835 PRESSURE: 729600 158.058 -53.5292 -289.923 -53.5286 252.824 -86.1307 -289.923 -86.1302 338.764 GPRESSURE: 729600 134.359 12.0064 -180.367 -181.25 320.827 -114.433 -271.239 -111.405 380.018 PRESSAVG: 729600 16.4158 -51.0169 -70.3228 -51.0169 43.1655 17.6583 -70.3228 17.6582 -6.89964 GPRESSAVG: 729600 15.7399 -50.409 -70.2576 -48.0135 42.5351 19.6945 -70.3024 17.316 -5.61341 TIMING: 729600 CPU: 2295.27, 0.00312517/step Wall: 2295.27, 0.00312517/step, 3.70715 hours remaining, 233.031250 MB of memory in use. ENERGY: 729600 3990.2780 20287.4409 14414.0537 251.3263 -203530.8427 2688.1498 0.0000 0.0000 52106.0247 -109793.5694 299.4540 -161899.5941 -109427.5796 298.8877 249.8821 278.4012 759868.0869 17.5605 17.5539 PRESSURE: 729800 -357.862 99.2642 89.3405 99.2632 -357.804 -99.1584 89.3398 -99.1577 -149.509 GPRESSURE: 729800 -241.013 78.1704 77.2421 74.2677 -402.672 -118.77 45.0987 -88.5858 -126.504 PRESSAVG: 729800 -51.7587 -19.1142 -27.0228 -19.1142 45.5698 2.33047 -27.0228 2.33036 -18.8835 GPRESSAVG: 729800 -51.2526 -20.6217 -28.2436 -20.6032 46.6316 1.93008 -27.8804 3.1157 -20.5787 TIMING: 729800 CPU: 2295.89, 0.00312303/step Wall: 2295.89, 0.00312303/step, 3.70443 hours remaining, 233.042969 MB of memory in use. ENERGY: 729800 4019.0304 20411.3861 14381.7204 214.8819 -203103.5519 2227.7634 0.0000 0.0000 52069.2733 -109779.4964 299.2428 -161848.7697 -109425.0728 298.6529 -288.3918 -256.7298 761970.6839 -8.3575 -8.3999 PRESSURE: 730000 -52.9883 -49.2983 -37.9169 -49.2985 116.343 32.4919 -37.9172 32.4932 49.8509 GPRESSURE: 730000 73.5554 -180.535 -35.6475 -126.812 116.548 7.12783 -57.6827 38.877 13.6258 PRESSAVG: 730000 -15.3106 -11.0368 -61.9693 -11.0368 7.1898 12.1638 -61.9694 12.1638 11.7509 GPRESSAVG: 730000 -15.0516 -11.4529 -60.3298 -10.7465 5.11587 9.98667 -63.039 13.8838 13.1525 TIMING: 730000 CPU: 2296.52, 0.00311859/step Wall: 2296.52, 0.00311859/step, 3.69899 hours remaining, 233.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 730000 3908.4304 20534.0941 14355.9438 236.7408 -203502.2409 2716.9023 0.0000 0.0000 52009.5804 -109740.5492 298.8998 -161750.1296 -109376.7613 299.0902 37.7354 67.9098 760939.6566 1.2100 1.0722 PRESSURE: 730200 -21.661 -0.265977 128.259 -0.266583 -312.83 -14.4043 128.259 -14.4044 -252.808 GPRESSURE: 730200 -88.0685 58.5985 73.3848 -34.0748 -255.365 11.1213 96.0606 -1.8209 -150.482 PRESSAVG: 730200 -8.29598 -79.6964 -43.2333 -79.6964 -0.033799 20.7186 -43.2334 20.7186 -30.26 GPRESSAVG: 730200 -9.43246 -82.2113 -42.2044 -81.1398 1.48246 23.532 -42.6834 18.1386 -31.0109 TIMING: 730200 CPU: 2297.14, 0.00311959/step Wall: 2297.14, 0.00311959/step, 3.70001 hours remaining, 233.042969 MB of memory in use. ENERGY: 730200 3968.3415 20588.8048 14397.6885 256.6471 -203454.8593 2503.2729 0.0000 0.0000 52066.4957 -109673.6088 299.2269 -161740.1045 -109320.0062 299.3110 -195.7662 -164.6387 761949.6021 -12.8633 -12.9870 PRESSURE: 730400 -498.399 -39.8872 -40.9304 -39.8877 -36.8775 58.4225 -40.9305 58.4231 -181.518 GPRESSURE: 730400 -400.049 -40.3896 -69.126 -39.7555 -69.7837 135.41 -242.754 -85.6638 -164.554 PRESSAVG: 730400 -6.11626 -0.434939 -34.4526 -0.434909 67.5839 26.7945 -34.4525 26.7945 6.86557 GPRESSAVG: 730400 -6.67874 3.2392 -36.6957 0.60526 67.4971 26.8862 -34.1399 26.1645 7.84617 TIMING: 730400 CPU: 2297.77, 0.00312725/step Wall: 2297.77, 0.00312725/step, 3.70892 hours remaining, 233.042969 MB of memory in use. ENERGY: 730400 4012.3817 20584.6974 14383.5334 242.6607 -203295.5144 2119.7387 0.0000 0.0000 52291.7560 -109660.7466 300.5214 -161952.5026 -109293.1567 299.2825 -238.9317 -211.4624 759700.6842 22.7777 22.8882 PRESSURE: 730600 325.532 -122.662 -153.034 -122.661 -576.659 287.714 -153.032 287.714 -525.337 GPRESSURE: 730600 250.314 -152.402 -96.5654 -55.8313 -421.099 214.356 -67.8185 340.426 -522.018 PRESSAVG: 730600 73.66 -13.8339 -98.2532 -13.8339 -44.7439 11.3863 -98.2531 11.3863 -2.78095 GPRESSAVG: 730600 72.2265 -17.059 -97.1929 -14.431 -43.459 10.7601 -99.1014 13.6068 -2.70909 TIMING: 730600 CPU: 2298.39, 0.00312022/step Wall: 2298.39, 0.00312022/step, 3.70041 hours remaining, 233.042969 MB of memory in use. ENERGY: 730600 4058.0603 20576.7869 14445.5089 240.9870 -203140.9808 2375.7514 0.0000 0.0000 51907.1250 -109536.7614 298.3110 -161443.8864 -109177.9122 299.2721 -258.8210 -230.9341 758668.4623 8.7117 8.6861 PRESSURE: 730800 -20.0977 67.8773 102.297 67.8774 280.038 -162.319 102.297 -162.32 84.918 GPRESSURE: 730800 32.6533 114.392 192.506 50.7461 265.654 -104.298 38.2709 -117.492 135.536 PRESSAVG: 730800 21.344 -31.8893 -18.588 -31.8894 -17.5098 32.497 -18.588 32.4969 -18.2013 GPRESSAVG: 730800 21.9014 -30.0851 -18.6667 -30.3219 -17.6567 33.4818 -17.4341 32.7591 -18.8795 TIMING: 730800 CPU: 2299.01, 0.00310599/step Wall: 2299.01, 0.00310599/step, 3.68336 hours remaining, 233.042969 MB of memory in use. ENERGY: 730800 3998.6288 20381.3957 14441.6215 241.5357 -203248.9077 2463.5348 0.0000 0.0000 52012.5297 -109709.6616 298.9167 -161722.1913 -109338.4069 299.4711 114.9529 144.6143 760414.2446 -4.7890 -4.8783 PRESSURE: 731000 -105.446 -92.9234 -48.3519 -92.9238 86.3235 -40.2699 -48.3523 -40.27 126.59 GPRESSURE: 731000 18.07 -49.7205 -64.7927 -107.528 -63.7923 -13.0949 -22.7159 -130.523 223.223 PRESSAVG: 731000 4.86612 -11.4846 63.9641 -11.4845 -32.2866 5.8229 63.9642 5.82276 10.9337 GPRESSAVG: 731000 6.36322 -11.1143 63.7887 -12.8508 -34.2251 3.18561 62.7773 4.30372 11.0296 TIMING: 731000 CPU: 2299.64, 0.00311458/step Wall: 2299.64, 0.00311458/step, 3.69337 hours remaining, 233.042969 MB of memory in use. ENERGY: 731000 4104.7714 20388.2861 14449.7844 241.4822 -203245.6344 2738.1777 0.0000 0.0000 51976.8368 -109346.2958 298.7116 -161323.1326 -108978.5667 299.1863 35.8227 59.1670 762383.7223 -5.4956 -5.6108 PRESSURE: 731200 -79.2634 7.26719 -60.4694 7.26703 171.501 -126.596 -60.4696 -126.596 -34.8663 GPRESSURE: 731200 -7.09314 27.8757 -136.372 -3.59181 182.731 -160.349 51.4347 -65.2699 -28.1717 PRESSAVG: 731200 40.8923 -5.19338 -52.8177 -5.19338 -36.4243 -12.0368 -52.8177 -12.0367 -19.1604 GPRESSAVG: 731200 39.6477 -6.47672 -53.2846 -5.1577 -35.4028 -9.58548 -52.3487 -11.6716 -19.191 TIMING: 731200 CPU: 2300.26, 0.00312269/step Wall: 2300.26, 0.00312269/step, 3.70281 hours remaining, 233.042969 MB of memory in use. ENERGY: 731200 4046.6258 20524.3339 14368.7862 246.1022 -203503.3310 2694.4846 0.0000 0.0000 52256.1148 -109366.8834 300.3166 -161622.9982 -109003.7309 299.7282 19.1238 49.1555 761786.2056 -4.8974 -4.9820 PRESSURE: 731400 186.476 -20.9222 -102.908 -20.9222 102.81 80.0231 -102.909 80.0228 -245.851 GPRESSURE: 731400 265.748 30.2382 -139.858 45.7757 100.351 -20.9494 -107.149 136.846 -227.319 PRESSAVG: 731400 1.7207 -24.0612 4.64945 -24.0612 -35.5518 -11.7932 4.64943 -11.7932 13.7827 GPRESSAVG: 731400 1.38728 -22.8985 4.55486 -24.4185 -35.5205 -14.2177 5.02914 -10.9218 14.3746 TIMING: 731400 CPU: 2300.88, 0.0031204/step Wall: 2300.88, 0.0031204/step, 3.69993 hours remaining, 233.042969 MB of memory in use. ENERGY: 731400 4036.9265 20497.0867 14323.4531 219.3238 -203304.6685 2727.1662 0.0000 0.0000 52062.1189 -109438.5932 299.2017 -161500.7122 -109078.2964 299.7125 14.4781 46.2603 760723.3728 -6.6828 -6.5862 PRESSURE: 731600 3.15998 62.0072 -125.899 62.0074 -13.8912 -136.805 -125.899 -136.806 314.719 GPRESSURE: 731600 49.5383 165.832 -127.583 238.319 -102.384 -45.5692 19.7061 -223.368 432.313 PRESSAVG: 731600 62.1439 -22.6255 -25.9798 -22.6256 -46.3826 43.2236 -25.9798 43.2235 -4.41521 GPRESSAVG: 731600 63.8806 -23.1426 -25.6662 -20.9011 -46.6011 45.3765 -25.4436 41.2536 -6.23476 TIMING: 731600 CPU: 2301.51, 0.00311608/step Wall: 2301.51, 0.00311608/step, 3.69463 hours remaining, 233.042969 MB of memory in use. ENERGY: 731600 3958.8436 20391.2031 14405.5470 227.2144 -203153.2340 2407.4412 0.0000 0.0000 52101.9033 -109661.0814 299.4304 -161762.9847 -109298.5123 299.3940 101.3293 126.4891 760522.6285 3.7821 3.6816 PRESSURE: 731800 236.824 29.5005 85.9284 29.4998 106.615 148.633 85.9278 148.634 -8.74365 GPRESSURE: 731800 179.952 -100.384 -40.785 -59.8809 275.608 161.751 76.8349 191.457 -31.4719 PRESSAVG: 731800 -25.3102 12.6772 18.2965 12.6772 51.2007 50.6976 18.2965 50.6976 5.82168 GPRESSAVG: 731800 -26.6754 13.9033 17.9392 11.8565 51.0597 50.0574 14.9854 53.2981 7.67047 TIMING: 731800 CPU: 2302.13, 0.00311864/step Wall: 2302.13, 0.00311864/step, 3.6975 hours remaining, 233.042969 MB of memory in use. ENERGY: 731800 3965.7337 20413.2819 14361.3239 246.2753 -203364.2246 2680.7578 0.0000 0.0000 52243.4827 -109453.3694 300.2440 -161696.8521 -109094.2829 299.1530 111.5649 141.3626 759544.1954 10.5707 10.6849 PRESSURE: 732000 -25.5883 195.254 -301.827 195.254 25.3433 82.5347 -301.827 82.535 295.32 GPRESSURE: 732000 13.4614 111.358 -326.019 269.393 57.524 146.124 -272.649 153.949 309.402 PRESSAVG: 732000 33.8688 -4.27627 -26.3975 -4.27628 -59.1452 43.0623 -26.3976 43.0623 16.11 GPRESSAVG: 732000 34.3329 -6.25915 -25.9609 -1.51471 -59.081 42.238 -26.6451 41.8235 14.8395 TIMING: 732000 CPU: 2302.76, 0.00312999/step Wall: 2302.76, 0.00312999/step, 3.71078 hours remaining, 233.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 732000 4005.2648 20393.6126 14334.9797 239.9499 -203197.0036 2449.0981 0.0000 0.0000 52325.1124 -109448.9861 300.7131 -161774.0985 -109080.3623 299.4757 98.3584 126.7958 758754.2818 -3.0555 -3.3028 PRESSURE: 732200 -16.3617 5.22859 108.104 5.2283 -8.65073 105.721 108.104 105.721 -220.083 GPRESSURE: 732200 24.5781 -59.0721 120.887 -12.4042 -76.8735 40.9682 83.3682 85.9678 -114.443 PRESSAVG: 732200 38.2496 11.9164 -22.5304 11.9164 -30.6968 -23.9057 -22.5305 -23.9056 -3.17592 GPRESSAVG: 732200 37.1303 13.2014 -22.5128 9.04638 -30.3976 -23.3682 -21.0387 -23.0789 -2.20979 TIMING: 732200 CPU: 2303.38, 0.00311882/step Wall: 2303.38, 0.00311882/step, 3.69736 hours remaining, 233.042969 MB of memory in use. ENERGY: 732200 4083.7299 20694.3773 14450.6826 236.8852 -203272.1114 2155.6636 0.0000 0.0000 52243.7865 -109406.9864 300.2458 -161650.7730 -109057.1280 299.5453 -81.6983 -55.5793 759685.6980 1.4590 1.5076 LDB: ============= START OF LOAD BALANCING ============== 2315.78 LDB: ============== END OF LOAD BALANCING =============== 2315.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2315.78 LDB: ============= START OF LOAD BALANCING ============== 2316.09 LDB: Largest compute 7038 load 0.032083 is 16.4% of average load 0.195689 LDB: Average compute 0.004422 is 2.3% of average load 0.195689 LDB: TIME 2316.1 LOAD: AVG 0.195689 MAX 0.219662 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.699 MB LDB: TIME 2316.1 LOAD: AVG 0.195689 MAX 0.219662 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: TIME 2316.1 LOAD: AVG 0.195689 MAX 0.217695 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: ============== END OF LOAD BALANCING =============== 2316.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2316.1 PRESSURE: 732400 -283.748 -101.691 114.203 -101.691 361.195 147.603 114.203 147.602 -4.14186 GPRESSURE: 732400 -228.674 -58.5319 184.932 -147.721 348.333 161.184 65.157 57.5193 38.3919 PRESSAVG: 732400 -27.1787 -10.0545 -54.7185 -10.0545 36.7784 -25.2414 -54.7185 -25.2415 9.93874 GPRESSAVG: 732400 -26.3837 -9.33035 -54.7294 -10.5999 35.9157 -26.2953 -53.6361 -27.1274 9.55001 TIMING: 732400 CPU: 2304.02, 0.00320539/step Wall: 2304.02, 0.00320539/step, 3.79981 hours remaining, 236.273438 MB of memory in use. ENERGY: 732400 3972.6651 20478.1604 14332.3320 244.0839 -203096.5819 2445.8999 0.0000 0.0000 52045.6654 -109577.7752 299.1072 -161623.4406 -109203.8735 299.6075 24.4348 52.6836 761338.1567 6.5128 6.3606 PRESSURE: 732600 -174.438 -190.669 222.774 -190.669 -219.722 17.344 222.774 17.3444 -33.1718 GPRESSURE: 732600 -125.603 -300.805 132.795 -72.7814 -203.053 -7.73559 226.059 -56.6182 -23.4443 PRESSAVG: 732600 14.98 -5.12138 8.79063 -5.12147 36.1935 -46.3665 8.79056 -46.3665 -5.428 GPRESSAVG: 732600 13.7065 -7.49808 8.2007 -4.48032 37.7651 -47.3441 9.38489 -43.469 -6.12414 TIMING: 732600 CPU: 2304.65, 0.00313652/step Wall: 2304.65, 0.00313652/step, 3.718 hours remaining, 236.476562 MB of memory in use. ENERGY: 732600 3969.5589 20362.9456 14465.3522 245.5991 -203719.2723 2789.3040 0.0000 0.0000 52184.7956 -109701.7169 299.9067 -161886.5125 -109330.8804 299.3836 -142.4438 -117.3669 759413.3831 15.2485 15.1158 PRESSURE: 732800 122.203 48.9553 228.463 48.9556 -160.761 151.077 228.464 151.077 398.223 GPRESSURE: 732800 116.061 -1.77956 224.964 -89.7595 -42.8962 167.289 255.199 112.068 377.534 PRESSAVG: 732800 -18.9218 15.0433 -30.9057 15.0432 16.5079 -0.666578 -30.9057 -0.666653 -8.7194 GPRESSAVG: 732800 -16.9247 15.2765 -30.4058 15.538 14.7674 -0.429866 -31.4844 -2.60672 -8.5585 TIMING: 732800 CPU: 2305.27, 0.00311161/step Wall: 2305.27, 0.00311161/step, 3.6883 hours remaining, 236.476562 MB of memory in use. ENERGY: 732800 3943.7574 20363.5243 14361.2676 222.7135 -203343.9113 2548.1177 0.0000 0.0000 52229.7739 -109674.7569 300.1652 -161904.5308 -109315.4694 299.4696 119.8883 150.2329 761179.1691 -3.7111 -3.5720 PRESSURE: 733000 89.4951 231.959 -88.6943 231.959 -127.952 -122.691 -88.6956 -122.69 10.2002 GPRESSURE: 733000 53.4684 259.092 -109.744 161.22 -38.9037 -136.288 -9.83311 -89.1936 50.216 PRESSAVG: 733000 38.903 -18.5514 13.9429 -18.5514 -45.556 33.4559 13.9429 33.4558 16.6209 GPRESSAVG: 733000 37.0992 -17.456 14.1922 -19.4969 -44.0822 35.1213 15.0057 33.9537 16.9103 TIMING: 733000 CPU: 2305.89, 0.00310497/step Wall: 2305.89, 0.00310497/step, 3.68025 hours remaining, 236.476562 MB of memory in use. ENERGY: 733000 4061.9525 20446.4465 14428.8144 240.9984 -203545.4765 2546.2178 0.0000 0.0000 52143.9721 -109677.0747 299.6721 -161821.0468 -109319.8263 299.4321 -9.4188 21.5936 759049.2357 3.3226 3.3091 PRESSURE: 733200 85.65 14.1181 176.626 14.1189 -108.893 -251.296 176.627 -251.296 -644.653 GPRESSURE: 733200 156.986 32.0177 138.541 119.25 -168.761 -222.496 187.855 -177.369 -561.808 PRESSAVG: 733200 -66.1369 -22.6646 -26.2901 -22.6647 39.2528 -4.86384 -26.2902 -4.86385 -5.65399 GPRESSAVG: 733200 -65.4555 -23.7496 -24.9746 -22.8179 38.8329 -6.22339 -28.716 -4.6663 -5.95197 TIMING: 733200 CPU: 2306.52, 0.0031218/step Wall: 2306.52, 0.0031218/step, 3.70003 hours remaining, 236.476562 MB of memory in use. ENERGY: 733200 4041.5937 20342.5575 14445.6090 243.9403 -203149.8091 2305.7791 0.0000 0.0000 52215.5551 -109554.7744 300.0835 -161770.3294 -109185.4818 299.0913 -222.6320 -191.1945 759029.3741 -10.8460 -10.8582 PRESSURE: 733400 9.1697 -217.966 -53.9023 -217.966 -80.7407 149.752 -53.9023 149.751 176.829 GPRESSURE: 733400 -29.7195 -303.49 -76.8559 -267.891 37.9869 180.51 -18.9095 237.96 202.874 PRESSAVG: 733400 8.85159 -93.5285 -101.681 -93.5286 15.3008 -2.77084 -101.681 -2.77083 -4.50912 GPRESSAVG: 733400 8.6208 -93.0262 -100.232 -92.7736 14.7575 -1.32185 -101.04 0.256956 -3.34275 TIMING: 733400 CPU: 2307.14, 0.00310961/step Wall: 2307.14, 0.00310961/step, 3.6854 hours remaining, 236.476562 MB of memory in use. ENERGY: 733400 3987.2124 20484.2189 14427.8228 242.9749 -203181.4966 2371.8808 0.0000 0.0000 52080.9016 -109586.4851 299.3097 -161667.3867 -109227.0477 299.3602 35.0861 70.3803 760116.1262 6.5478 6.6785 PRESSURE: 733600 84.1392 292.159 -58.2365 292.159 -232.935 -27.8174 -58.2355 -27.8169 3.96909 GPRESSURE: 733600 136.739 201.636 -47.7467 220.651 -226.172 -154.184 -150.132 -18.4276 28.9103 PRESSAVG: 733600 25.3093 -6.59119 -36.135 -6.59119 -8.80976 54.767 -36.135 54.767 11.8708 GPRESSAVG: 733600 26.8466 -7.1695 -38.2686 -8.09414 -9.86072 54.6709 -37.4016 52.5375 11.2434 TIMING: 733600 CPU: 2307.76, 0.0031143/step Wall: 2307.76, 0.0031143/step, 3.69079 hours remaining, 236.476562 MB of memory in use. ENERGY: 733600 4091.5310 20540.3806 14416.6658 248.2547 -203432.2549 2719.4882 0.0000 0.0000 51824.3624 -109591.5721 297.8353 -161415.9346 -109238.7383 299.3951 -48.2754 -20.1745 761041.6836 9.4568 9.4098 PRESSURE: 733800 -344.483 185.927 167.007 185.927 -136.88 222.984 167.006 222.983 -155.199 GPRESSURE: 733800 -329.377 47.6836 215.404 118.925 -94.772 265.031 255.875 114.187 -130.231 PRESSAVG: 733800 -29.9962 -53.7233 -16.5988 -53.7233 52.3064 30.1708 -16.5989 30.1708 -2.67839 GPRESSAVG: 733800 -31.1929 -51.3182 -15.9207 -52.1139 53.0506 29.8083 -15.1097 29.2364 -2.2847 TIMING: 733800 CPU: 2308.39, 0.00311698/step Wall: 2308.39, 0.00311698/step, 3.69379 hours remaining, 236.476562 MB of memory in use. ENERGY: 733800 3973.0964 20356.3050 14502.4973 242.2900 -203696.8209 2679.5795 0.0000 0.0000 52136.3057 -109806.7470 299.6281 -161943.0527 -109445.2354 299.2017 -212.1873 -184.7933 761442.5619 6.5439 6.5244 PRESSURE: 734000 -404.223 55.9835 189.776 55.9842 -385.716 106.368 189.777 106.367 -706.616 GPRESSURE: 734000 -334.464 84.668 114.916 18.1929 -336.628 172.942 160.719 76.2245 -705.101 PRESSAVG: 734000 -40.983 -70.6768 -21.4572 -70.6768 33.1709 -11.2887 -21.4571 -11.2887 4.29265 GPRESSAVG: 734000 -41.3055 -72.1783 -23.1297 -71.1396 33.7961 -11.6426 -22.8455 -8.08277 3.55514 TIMING: 734000 CPU: 2309.01, 0.00310485/step Wall: 2309.01, 0.00310485/step, 3.67925 hours remaining, 236.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 734000 3916.8970 20533.5115 14513.0765 253.0083 -203370.6252 2282.1111 0.0000 0.0000 52019.9648 -109852.0560 298.9595 -161872.0208 -109491.9313 299.0356 -498.8518 -458.7310 761804.7850 -1.1732 -1.3181 PRESSURE: 734200 252.378 -137.067 214.348 -137.068 -211.583 -44.7286 214.347 -44.7293 91.614 GPRESSURE: 734200 191.941 -42.6398 182.956 -91.2383 -97.924 15.9637 257.176 -0.961556 124.466 PRESSAVG: 734200 -3.14568 -30.3124 12.1698 -30.3124 8.02321 -22.2118 12.1697 -22.2118 -0.543779 GPRESSAVG: 734200 -1.73481 -29.3069 12.7894 -30.9774 7.94519 -21.5518 13.2432 -24.5064 -1.45781 TIMING: 734200 CPU: 2309.63, 0.00313024/step Wall: 2309.63, 0.00313024/step, 3.70916 hours remaining, 236.476562 MB of memory in use. ENERGY: 734200 4011.1803 20483.0313 14529.0131 235.1665 -203662.7854 2686.6325 0.0000 0.0000 51732.3908 -109985.3709 297.3068 -161717.7617 -109627.8262 298.5936 44.1364 72.8279 761645.1348 1.4446 1.5842 PRESSURE: 734400 -101.702 -52.9306 -62.7799 -52.9306 258.335 -187.098 -62.7804 -187.099 -175.348 GPRESSURE: 734400 -76.5637 -23.2938 -119.043 -9.26217 232.991 -128.295 -80.589 -204.395 -95.3662 PRESSAVG: 734400 -8.23481 -23.5875 -15.7481 -23.5875 25.9099 -40.8341 -15.7481 -40.8341 -22.4909 GPRESSAVG: 734400 -9.58935 -23.4583 -16.8553 -22.3471 26.1515 -40.5785 -15.045 -42.6631 -21.4869 TIMING: 734400 CPU: 2310.26, 0.00313512/step Wall: 2310.26, 0.00313512/step, 3.71477 hours remaining, 236.476562 MB of memory in use. ENERGY: 734400 4012.2098 20637.2306 14441.5468 245.3310 -204010.6031 2880.1954 0.0000 0.0000 51896.3718 -109897.7178 298.2492 -161794.0896 -109552.8965 298.6663 -6.2384 20.3538 760535.1649 -1.6053 -1.6416 PRESSURE: 734600 31.1421 -73.0125 -115.866 -73.0117 54.5968 -118.817 -115.866 -118.818 -23.4577 GPRESSURE: 734600 164.11 -89.2954 -145.293 -99.0999 88.1018 -120.077 -69.5539 -148.038 -124.258 PRESSAVG: 734600 -55.0397 -23.3794 -6.18084 -23.3795 57.3918 -4.70199 -6.18093 -4.70206 2.08825 GPRESSAVG: 734600 -54.1961 -24.628 -5.32132 -24.5289 56.2174 -6.03161 -5.45193 -3.80599 1.91749 TIMING: 734600 CPU: 2310.88, 0.00312683/step Wall: 2310.88, 0.00312683/step, 3.70478 hours remaining, 236.476562 MB of memory in use. ENERGY: 734600 4007.1315 20430.9028 14476.6606 227.7584 -203664.0204 2519.5809 0.0000 0.0000 52121.7495 -109880.2368 299.5444 -162001.9863 -109522.8918 298.4417 20.7604 42.6514 760468.4082 1.4801 1.3129 PRESSURE: 734800 -221.682 -89.3209 -73.7049 -89.321 -1.97974 -79.5645 -73.7052 -79.5659 -274.86 GPRESSURE: 734800 -275.207 -77.4777 -95.0993 -104.008 26.4971 -64.7653 -120.503 -66.9764 -174.326 PRESSAVG: 734800 37.1097 -53.9901 48.1074 -53.9901 -24.088 7.07453 48.1074 7.07451 -3.44492 GPRESSAVG: 734800 36.5614 -52.7115 48.5862 -56.0169 -23.9019 9.66386 46.143 7.37464 -3.3037 TIMING: 734800 CPU: 2311.51, 0.00312214/step Wall: 2311.51, 0.00312214/step, 3.69904 hours remaining, 236.476562 MB of memory in use. ENERGY: 734800 3936.9090 20556.5113 14505.9723 238.1739 -203573.4372 2476.2098 0.0000 0.0000 51861.1164 -109998.5445 298.0465 -161859.6609 -109641.0854 298.7622 -166.1738 -141.0119 760493.8732 3.1923 3.1186 PRESSURE: 735000 -146.434 -132.29 47.0215 -132.29 45.3224 121.243 47.0219 121.243 -213.203 GPRESSURE: 735000 -64.7369 -97.1541 13.7387 -129.106 69.639 127.508 -48.0655 123.214 -216.647 PRESSAVG: 735000 -53.763 -34.5738 -20.5066 -34.5737 82.1494 -22.402 -20.5066 -22.402 -22.914 GPRESSAVG: 735000 -53.2082 -33.7342 -20.1848 -31.5679 82.0883 -22.6875 -21.519 -21.2011 -22.6418 TIMING: 735000 CPU: 2312.14, 0.00314667/step Wall: 2312.14, 0.00314667/step, 3.72792 hours remaining, 236.476562 MB of memory in use. ENERGY: 735000 3992.2679 20621.2869 14533.3123 248.0636 -203762.1345 2802.1075 0.0000 0.0000 51824.2930 -109740.8034 297.8349 -161565.0964 -109383.4162 299.0609 -104.7715 -70.5816 761383.6052 1.8241 2.0794 PRESSURE: 735200 -202.962 10.1868 -7.57617 10.1877 -55.1323 33.2297 -7.57705 33.2303 -250.786 GPRESSURE: 735200 -130.527 16.1566 -7.26943 -110.606 -35.3145 24.5125 3.824 -129.552 -241.599 PRESSAVG: 735200 -16.8793 -59.8773 9.53656 -59.8773 7.13577 10.2157 9.53661 10.2157 14.9933 GPRESSAVG: 735200 -15.5876 -59.2469 9.9141 -62.196 7.01839 9.18778 9.85406 8.77919 13.9471 TIMING: 735200 CPU: 2312.76, 0.00312296/step Wall: 2312.76, 0.00312296/step, 3.69967 hours remaining, 236.476562 MB of memory in use. ENERGY: 735200 4041.4646 20435.6249 14471.8435 248.4965 -203381.5092 2489.8724 0.0000 0.0000 52071.4402 -109622.7671 299.2553 -161694.2073 -109257.9211 298.8875 -169.6268 -135.8133 761773.6107 1.7499 1.7926 PRESSURE: 735400 152.801 -182.174 -47.903 -182.174 151.991 319.714 -47.9027 319.714 478.331 GPRESSURE: 735400 204.926 -315.14 -109.48 -175.196 197.267 309.447 -87.7264 208.603 480.379 PRESSAVG: 735400 -11.834 -94.6851 -15.5452 -94.6852 27.8813 55.5071 -15.5452 55.5071 11.0744 GPRESSAVG: 735400 -13.2573 -97.1035 -16.561 -93.3136 28.1954 54.3042 -16.2498 55.5677 12.3451 TIMING: 735400 CPU: 2313.39, 0.00311078/step Wall: 2313.39, 0.00311078/step, 3.68506 hours remaining, 236.476562 MB of memory in use. ENERGY: 735400 4006.7304 20517.9251 14491.7753 254.7472 -203657.1677 2743.2347 0.0000 0.0000 52020.4411 -109622.3138 298.9622 -161642.7549 -109259.1003 299.6851 261.0406 294.1907 759950.8668 9.0406 9.0944 PRESSURE: 735600 -237.964 116.33 -211.301 116.329 75.726 -196.207 -211.302 -196.207 139.736 GPRESSURE: 735600 -107.526 164.801 -268.047 -36.3639 90.3586 -167.148 -48.7198 -39.8682 89.4874 PRESSAVG: 735600 -33.8345 -49.8246 20.6478 -49.8246 24.8869 14.852 20.6479 14.852 -2.48241 GPRESSAVG: 735600 -34.4379 -51.205 20.2788 -48.5908 25.7017 16.0027 20.445 15.412 -2.62588 TIMING: 735600 CPU: 2314.01, 0.00313111/step Wall: 2314.01, 0.00313111/step, 3.70897 hours remaining, 236.476562 MB of memory in use. ENERGY: 735600 3927.0908 20590.3749 14461.8401 236.9081 -203499.9320 2604.5773 0.0000 0.0000 51874.4850 -109804.6557 298.1234 -161679.1407 -109435.8805 299.1651 -7.5007 24.1067 760004.9960 -3.8100 -3.7873 PRESSURE: 735800 -140.441 103.319 -102.906 103.319 26.4551 299.698 -102.906 299.698 -450.871 GPRESSURE: 735800 -152.094 26.7433 -73.5858 -49.5866 80.3808 224.553 -137.805 232.865 -429.371 PRESSAVG: 735800 -0.98938 -46.9629 -33.6604 -46.9628 -24.7391 19.1463 -33.6604 19.1464 -10.661 GPRESSAVG: 735800 -0.377693 -47.5789 -34.3512 -46.4616 -23.6341 19.4886 -31.3691 19.637 -12.1779 TIMING: 735800 CPU: 2314.63, 0.00311071/step Wall: 2314.63, 0.00311071/step, 3.68464 hours remaining, 236.476562 MB of memory in use. ENERGY: 735800 4030.0609 20518.8485 14448.5194 250.2371 -203097.4527 2191.1627 0.0000 0.0000 52071.7248 -109586.8992 299.2569 -161658.6240 -109221.8538 299.0790 -188.2854 -167.0280 761594.8378 -12.1298 -12.0633 PRESSURE: 736000 144.697 41.8938 1.14886 41.8936 -304.022 -170.015 1.14872 -170.016 -28.8272 GPRESSURE: 736000 -56.3222 -82.1179 -25.4365 14.6774 -52.3261 -90.7928 -51.6676 -162.504 19.3909 PRESSAVG: 736000 26.8757 -41.3047 -35.0662 -41.3048 -3.40503 -23.8535 -35.0662 -23.8536 -6.20777 GPRESSAVG: 736000 26.8918 -39.0764 -33.5981 -43.0446 -4.99585 -24.6015 -36.4078 -24.2049 -4.42992 TIMING: 736000 CPU: 2315.26, 0.00310813/step Wall: 2315.26, 0.00310813/step, 3.68141 hours remaining, 236.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 736000 4031.1306 20601.7830 14443.5144 246.3122 -203445.0149 2549.7993 0.0000 0.0000 51888.3665 -109684.1090 298.2032 -161572.4755 -109321.7220 299.0849 -62.7176 -29.7525 760571.9001 5.7543 5.8220 PRESSURE: 736200 207.849 94.6507 103.558 94.6508 16.6989 213.477 103.557 213.475 161.529 GPRESSURE: 736200 334.691 101.044 57.1784 89.3136 67.9836 253.484 115.901 195.053 92.716 PRESSAVG: 736200 9.47702 -67.9045 10.9631 -67.9044 -32.4964 17.5472 10.9631 17.5471 -16.2516 GPRESSAVG: 736200 10.1555 -67.3855 12.5091 -68.3508 -32.1662 16.2472 10.9795 18.0321 -16.9496 TIMING: 736200 CPU: 2315.88, 0.0031115/step Wall: 2315.88, 0.0031115/step, 3.68523 hours remaining, 236.476562 MB of memory in use. ENERGY: 736200 4011.7939 20406.8612 14456.4541 244.2068 -203647.4863 2796.9276 0.0000 0.0000 51841.5979 -109889.6449 297.9344 -161731.2427 -109531.3301 298.8344 128.6923 165.1301 760451.7117 -13.0903 -12.9868 LDB: ============= START OF LOAD BALANCING ============== 2328.27 LDB: ============== END OF LOAD BALANCING =============== 2328.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2328.27 LDB: ============= START OF LOAD BALANCING ============== 2328.59 LDB: Largest compute 7078 load 0.033678 is 17.2% of average load 0.195736 LDB: Average compute 0.004414 is 2.3% of average load 0.195736 LDB: TIME 2328.59 LOAD: AVG 0.195736 MAX 0.215592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.844 MB LDB: TIME 2328.59 LOAD: AVG 0.195736 MAX 0.215592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: TIME 2328.59 LOAD: AVG 0.195736 MAX 0.215592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: ============== END OF LOAD BALANCING =============== 2328.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2328.6 PRESSURE: 736400 323.112 -110.254 -93.4383 -110.254 98.3847 0.684517 -93.4389 0.685987 142.893 GPRESSURE: 736400 286.284 -95.5502 -73.1249 -105.809 205.786 -8.54174 -59.0827 -157.458 163.73 PRESSAVG: 736400 -31.0418 18.2807 30.1131 18.2807 19.4722 66.5183 30.1131 66.5183 -30.0307 GPRESSAVG: 736400 -31.6528 19.1804 28.4897 18.9481 19.1975 69.2386 30.8192 64.893 -29.4392 TIMING: 736400 CPU: 2316.52, 0.00318923/step Wall: 2316.52, 0.00318923/step, 3.77711 hours remaining, 232.644531 MB of memory in use. ENERGY: 736400 4002.9053 20516.4334 14504.3095 250.2930 -203613.1638 2689.1802 0.0000 0.0000 51810.6126 -109839.4298 297.7563 -161650.0424 -109482.4877 298.1479 188.1301 218.5999 760347.5351 -13.8668 -13.9649 PRESSURE: 736600 116.423 1.7555 87.5136 1.75578 11.6409 322.776 87.5142 322.777 15.7621 GPRESSURE: 736600 151.659 -22.0499 60.707 -80.3787 11.9235 277.526 65.4935 200.621 69.2142 PRESSAVG: 736600 -19.8933 -48.626 69.4657 -48.626 64.8396 44.2527 69.4656 44.2528 -16.697 GPRESSAVG: 736600 -20.0428 -49.8597 68.0752 -49.8961 64.4527 43.0371 70.3586 44.33 -16.5288 TIMING: 736600 CPU: 2317.14, 0.00311883/step Wall: 2317.14, 0.00311883/step, 3.69356 hours remaining, 232.644531 MB of memory in use. ENERGY: 736600 3930.5354 20541.5362 14468.9087 250.4077 -203256.2579 2393.2825 0.0000 0.0000 51873.1102 -109798.4774 298.1155 -161671.5876 -109439.7576 298.3451 47.9420 77.5990 760358.7941 9.4164 9.2937 PRESSURE: 736800 -469.464 6.78652 28.1626 6.78545 16.9189 129.263 28.1615 129.264 -162.881 GPRESSURE: 736800 -396.865 -43.9216 45.3521 -137.489 -42.0294 106.554 -125.826 217.016 -100.333 PRESSAVG: 736800 2.01834 -40.4035 -11.7537 -40.4035 7.59211 41.6669 -11.7537 41.6669 -6.00678 GPRESSAVG: 736800 3.24508 -37.1368 -10.8695 -38.938 6.93617 40.8099 -13.0415 42.7491 -6.05819 TIMING: 736800 CPU: 2317.76, 0.00311038/step Wall: 2317.76, 0.00311038/step, 3.68338 hours remaining, 232.644531 MB of memory in use. ENERGY: 736800 3980.4267 20511.4930 14454.8072 248.9564 -203214.8624 2538.0859 0.0000 0.0000 51909.9462 -109571.1471 298.3272 -161481.0932 -109218.4830 299.0274 -205.1421 -179.7424 762774.7033 1.2012 1.3744 PRESSURE: 737000 450.598 -219.173 -52.5925 -219.173 227.061 -30.4105 -52.5931 -30.4112 334.919 GPRESSURE: 737000 431.423 -91.7078 30.5983 -174.265 339.003 -71.4895 76.7198 -7.67387 330.997 PRESSAVG: 737000 52.8094 -49.6224 0.740168 -49.6224 -43.2482 29.406 0.740098 29.406 -9.49977 GPRESSAVG: 737000 51.887 -54.0911 0.20544 -49.1331 -41.6503 30.4642 2.40268 28.9912 -10.1624 TIMING: 737000 CPU: 2318.39, 0.00312606/step Wall: 2318.39, 0.00312606/step, 3.70178 hours remaining, 232.644531 MB of memory in use. ENERGY: 737000 3921.9536 20483.3402 14386.1074 227.7566 -203536.7861 2800.2016 0.0000 0.0000 52194.1463 -109523.2803 299.9605 -161717.4267 -109165.2315 299.3766 337.5261 367.1411 762368.9629 0.0205 0.0248 PRESSURE: 737200 69.8372 -7.81649 209.158 -7.81625 0.891248 -127.147 209.159 -127.146 108.028 GPRESSURE: 737200 32.7015 -13.9107 145.946 67.6481 62.3204 -140.46 20.4909 -113.73 155.874 PRESSAVG: 737200 13.4389 -54.054 25.5431 -54.054 -12.3006 15.3621 25.543 15.3621 0.563349 GPRESSAVG: 737200 12.1911 -52.3363 25.6433 -52.3155 -11.4638 13.4994 25.6705 15.3371 0.725588 TIMING: 737200 CPU: 2319.01, 0.00312826/step Wall: 2319.01, 0.00312826/step, 3.70421 hours remaining, 232.644531 MB of memory in use. ENERGY: 737200 4008.6813 20635.1938 14462.6335 244.5408 -203988.6270 3064.7638 0.0000 0.0000 51909.3506 -109663.4632 298.3238 -161572.8138 -109310.5691 298.9626 59.5855 83.6318 761891.1904 0.5672 0.4843 PRESSURE: 737400 -268.299 -82.436 57.1726 -82.4363 -216.554 3.23249 57.1729 3.23243 -193.99 GPRESSURE: 737400 -178.136 -58.216 64.2143 -165.741 -232.346 32.2658 53.9484 98.0119 -179.759 PRESSAVG: 737400 19.3049 -21.7316 10.844 -21.7315 -13.1654 -15.9771 10.844 -15.9771 14.7437 GPRESSAVG: 737400 21.343 -19.8934 11.5053 -23.3057 -14.9334 -14.163 8.58408 -16.047 14.8143 TIMING: 737400 CPU: 2319.64, 0.0031316/step Wall: 2319.64, 0.0031316/step, 3.70798 hours remaining, 232.644531 MB of memory in use. ENERGY: 737400 3979.1095 20397.9279 14473.4980 233.2243 -202909.5950 2298.3470 0.0000 0.0000 52088.1796 -109439.3087 299.3515 -161527.4883 -109068.4636 299.0209 -226.2809 -196.7472 762293.7564 6.9611 7.0746 PRESSURE: 737600 112.519 -52.467 -93.3596 -52.4671 386.512 123.241 -93.3598 123.241 -79.4258 GPRESSURE: 737600 188.589 -24.8334 -5.07085 -10.9426 351.972 62.9594 -142.153 239.89 -40.1765 PRESSAVG: 737600 -33.5221 -65.3545 0.856264 -65.3545 -12.1997 0.246054 0.856271 0.246027 -30.9933 GPRESSAVG: 737600 -34.031 -67.4493 0.820651 -62.7207 -12.6691 0.0434965 2.7501 2.00599 -30.1332 TIMING: 737600 CPU: 2320.26, 0.00312587/step Wall: 2320.26, 0.00312587/step, 3.70103 hours remaining, 232.644531 MB of memory in use. ENERGY: 737600 4023.4050 20758.6529 14478.6834 249.5432 -203733.4404 2914.8635 0.0000 0.0000 52110.9572 -109197.3352 299.4824 -161308.2924 -108834.4212 299.6748 139.8685 166.7947 761793.3914 -25.5717 -25.6111 PRESSURE: 737800 169.955 35.8313 112.861 35.8318 213.533 228.465 112.861 228.465 499.022 GPRESSURE: 737800 234.922 -55.2957 86.9651 -37.6845 204.426 197.991 -0.102983 179.174 518.241 PRESSAVG: 737800 -22.3896 -79.9152 -11.1361 -79.9151 19.2171 68.7348 -11.1361 68.7349 14.9409 GPRESSAVG: 737800 -21.8929 -78.9368 -12.0933 -81.216 19.3101 68.3987 -10.9071 67.6412 13.8713 TIMING: 737800 CPU: 2320.89, 0.00311742/step Wall: 2320.89, 0.00311742/step, 3.69085 hours remaining, 232.644531 MB of memory in use. ENERGY: 737800 3969.1963 20563.8764 14445.3161 264.6815 -203387.9853 2794.7258 0.0000 0.0000 52019.3403 -109330.8490 298.9559 -161350.1892 -108971.3180 300.0551 294.1701 319.1962 763471.8075 3.9228 3.7629 PRESSURE: 738000 -9.21805 39.2269 126.059 39.2284 -314.679 139.595 126.061 139.595 -201.64 GPRESSURE: 738000 -24.8049 61.7107 151.161 -0.682704 -265.328 90.1163 133.701 181.113 -148.644 PRESSAVG: 738000 -19.6838 -57.6762 -8.43796 -57.6762 61.1728 53.6452 -8.43802 53.6452 -6.74059 GPRESSAVG: 738000 -19.9587 -58.0983 -8.67919 -58.5537 61.1189 52.6874 -8.76382 53.6493 -5.94595 TIMING: 738000 CPU: 2321.51, 0.00311666/step Wall: 2321.51, 0.00311666/step, 3.68978 hours remaining, 232.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 738000 3989.3322 20549.3255 14464.6808 251.8999 -203172.4875 2373.3796 0.0000 0.0000 52251.9132 -109291.9564 300.2925 -161543.8696 -108938.2947 299.7226 -175.1792 -146.2588 763250.3647 11.5828 11.7381 PRESSURE: 738200 -46.2687 -161.783 -178.102 -161.783 -207.914 147.963 -178.102 147.963 40.9678 GPRESSURE: 738200 82.3885 -198.326 -93.1958 -80.247 -214.372 147.455 -178.885 106.345 36.6068 PRESSAVG: 738200 9.48515 -80.9541 7.7259 -80.9542 23.7824 31.8268 7.72588 31.8269 -1.09771 GPRESSAVG: 738200 9.9263 -82.3053 9.46147 -79.097 23.6103 30.979 7.51257 30.2803 -1.45226 TIMING: 738200 CPU: 2322.13, 0.00311331/step Wall: 2322.13, 0.00311331/step, 3.68564 hours remaining, 232.644531 MB of memory in use. ENERGY: 738200 4011.0848 20529.8050 14415.0397 239.6697 -203347.5932 2660.6151 0.0000 0.0000 52258.2244 -109233.1545 300.3287 -161491.3789 -108868.9056 300.2514 -71.0718 -31.7923 762257.1778 10.7233 10.6948 PRESSURE: 738400 -52.0594 154.334 58.9851 154.334 -21.5696 -154.271 58.9843 -154.271 119.091 GPRESSURE: 738400 31.2092 149.776 15.1677 184.257 -36.2374 -295.224 -17.3048 -160.427 127.966 PRESSAVG: 738400 -7.38447 -0.0950271 53.5269 -0.0950904 19.9172 27.8444 53.5269 27.8443 3.47355 GPRESSAVG: 738400 -8.3881 1.66268 50.6863 -0.389124 20.7297 28.2068 50.1552 28.5938 4.10182 TIMING: 738400 CPU: 2322.76, 0.00312309/step Wall: 2322.76, 0.00312309/step, 3.69704 hours remaining, 232.644531 MB of memory in use. ENERGY: 738400 3999.3246 20712.9526 14389.0715 239.8842 -203250.5486 2254.8075 0.0000 0.0000 52186.5117 -109467.9965 299.9166 -161654.5082 -109112.0248 300.0521 15.1540 40.9794 760905.1185 5.3354 5.4811 PRESSURE: 738600 154.74 -80.7458 159.505 -80.7459 -100.622 -42.7006 159.506 -42.7006 483.81 GPRESSURE: 738600 223.456 -73.3497 164.261 -21.2878 -54.2224 -44.6494 68.3725 12.2313 442.529 PRESSAVG: 738600 28.5789 -48.2726 -4.62813 -48.2726 -35.0947 -21.6615 -4.6281 -21.6615 2.55677 GPRESSAVG: 738600 29.6422 -49.5926 -2.19459 -50.4774 -34.6506 -21.5199 -2.42512 -18.8913 1.43607 TIMING: 738600 CPU: 2323.38, 0.00312189/step Wall: 2323.38, 0.00312189/step, 3.69545 hours remaining, 232.644531 MB of memory in use. ENERGY: 738600 4031.3070 20677.0168 14426.1035 251.9626 -203565.8732 2750.7599 0.0000 0.0000 52164.0009 -109264.7224 299.7872 -161428.7234 -108902.6492 300.0599 179.3093 203.9207 760463.5565 -1.3197 -1.1908 PRESSURE: 738800 -229.471 -143.219 -306.491 -143.219 -11.5873 101.759 -306.491 101.759 -338.844 GPRESSURE: 738800 -198.198 -28.6267 -324.435 -32.9193 1.00208 165.988 -36.3197 101.441 -296.186 PRESSAVG: 738800 -3.53493 15.8751 -11.2901 15.8751 42.5311 33.9975 -11.2902 33.9975 4.6392 GPRESSAVG: 738800 -3.49536 16.1411 -12.1664 18.4795 43.1654 35.2461 -9.8984 32.2019 3.1905 TIMING: 738800 CPU: 2324.01, 0.00312112/step Wall: 2324.01, 0.00312112/step, 3.69436 hours remaining, 232.644531 MB of memory in use. ENERGY: 738800 4036.5571 20486.8865 14468.5091 253.5315 -203142.6682 2243.4390 0.0000 0.0000 52221.6769 -109432.0679 300.1187 -161653.7449 -109059.1246 299.7836 -193.3009 -164.4608 761267.2081 14.5451 14.2868 PRESSURE: 739000 -488.426 67.6952 21.4616 67.6956 295.097 314.852 21.462 314.852 -278.309 GPRESSURE: 739000 -318.733 27.4919 15.5994 87.0775 315.064 187.921 46.9364 262.903 -387.705 PRESSAVG: 739000 -2.04531 -60.7233 -5.72404 -60.7232 26.8811 17.2404 -5.72401 17.2405 37.9841 GPRESSAVG: 739000 -2.87353 -60.29 -6.67439 -62.5342 26.7357 16.6797 -5.1214 16.0537 39.0077 TIMING: 739000 CPU: 2324.63, 0.00313287/step Wall: 2324.63, 0.00313287/step, 3.7081 hours remaining, 232.644531 MB of memory in use. ENERGY: 739000 3953.9300 20483.1167 14418.7044 234.7550 -203198.0945 2326.7152 0.0000 0.0000 52235.6265 -109545.2467 300.1989 -161780.8732 -109181.6795 299.2063 -157.2128 -130.4583 760752.2947 20.9399 20.9566 PRESSURE: 739200 -117.355 63.7574 190.594 63.7578 -207.911 -159.399 190.595 -159.398 171.889 GPRESSURE: 739200 -32.4713 54.7371 208.052 55.1983 -150.873 -184.788 180.901 -187.469 116.231 PRESSAVG: 739200 -33.0613 -66.5525 16.2668 -66.5525 36.3355 -20.6199 16.2668 -20.6199 -3.90265 GPRESSAVG: 739200 -33.0762 -65.3785 17.5108 -66.9815 35.7691 -21.8206 16.0999 -19.6352 -3.23819 TIMING: 739200 CPU: 2325.26, 0.00312813/step Wall: 2325.26, 0.00312813/step, 3.70231 hours remaining, 232.644531 MB of memory in use. ENERGY: 739200 3968.5763 20622.8913 14380.5284 233.1497 -203302.7566 2301.2857 0.0000 0.0000 52232.2412 -109564.0841 300.1794 -161796.3253 -109210.9344 299.3570 -51.1257 -22.3710 759734.6468 -0.2095 -0.1817 PRESSURE: 739400 -146.469 107.953 67.0912 107.953 -274.964 -24.621 67.0911 -24.6223 -282.77 GPRESSURE: 739400 -100.478 118.71 129.772 -69.8221 -249.724 13.8334 -32.9768 -30.5892 -277.47 PRESSAVG: 739400 -34.575 -40.4901 7.42786 -40.4901 67.6817 0.697033 7.4279 0.697034 11.5684 GPRESSAVG: 739400 -33.691 -41.6128 7.98696 -41.5691 68.048 1.73456 6.10481 0.337909 10.3319 TIMING: 739400 CPU: 2325.88, 0.00311953/step Wall: 2325.88, 0.00311953/step, 3.69197 hours remaining, 232.644531 MB of memory in use. ENERGY: 739400 3991.4220 20703.2152 14502.3824 232.8575 -203097.4397 2076.3709 0.0000 0.0000 52374.7778 -109216.4139 300.9986 -161591.1917 -108856.6842 299.6271 -234.7344 -209.2242 759984.3637 14.8917 14.8963 PRESSURE: 739600 255.406 -27.9995 89.8693 -27.9996 -73.48 189.276 89.8694 189.277 400.533 GPRESSURE: 739600 125.846 -57.7706 163.877 27.6931 107.976 163.375 203.568 91.5636 434.395 PRESSAVG: 739600 47.639 -0.196796 -40.5398 -0.196789 -11.0232 4.46033 -40.5397 4.46031 20.9139 GPRESSAVG: 739600 46.1855 0.410838 -40.9598 0.829184 -10.7352 5.28132 -40.1106 6.60849 22.3765 TIMING: 739600 CPU: 2326.5, 0.00311306/step Wall: 2326.5, 0.00311306/step, 3.68413 hours remaining, 232.644531 MB of memory in use. ENERGY: 739600 3953.1647 20592.8284 14459.9892 276.4459 -203788.2988 3045.5275 0.0000 0.0000 52443.9947 -109016.3483 301.3964 -161460.3430 -108658.7852 300.3943 194.1530 222.7390 761068.4124 19.1766 19.2756 PRESSURE: 739800 -128.695 -27.0965 47.5275 -27.0963 395.861 -70.7071 47.5276 -70.7068 3.89429 GPRESSURE: 739800 -15.445 -72.8364 -10.799 8.01025 415.896 39.0888 52.1364 -103.561 -46.1539 PRESSAVG: 739800 -7.91695 -16.3512 56.465 -16.3513 0.61517 -19.2229 56.4651 -19.2229 0.507216 GPRESSAVG: 739800 -6.79819 -18.1773 55.378 -13.4214 0.32803 -20.7927 56.402 -21.7828 -0.0990671 TIMING: 739800 CPU: 2327.13, 0.00310342/step Wall: 2327.13, 0.00310342/step, 3.67255 hours remaining, 232.644531 MB of memory in use. ENERGY: 739800 3972.2083 20487.6122 14520.3664 228.4764 -203598.8536 2634.9597 0.0000 0.0000 52236.9752 -109518.2554 300.2066 -161755.2306 -109151.5202 299.9106 90.3532 118.0991 760578.8572 -2.2649 -2.1897 PRESSURE: 740000 -174.439 106.942 37.5981 106.941 181.685 53.6342 37.5981 53.6353 47.2017 GPRESSURE: 740000 -59.9725 51.1762 66.2195 99.4757 148.949 114.481 18.6896 134.859 66.9183 PRESSAVG: 740000 -49.4844 -7.82324 -39.5985 -7.82325 32.8943 75.1537 -39.5985 75.1537 6.54511 GPRESSAVG: 740000 -49.2737 -4.03126 -37.992 -10.4268 32.1556 77.0784 -41.5146 75.9827 7.24708 TIMING: 740000 CPU: 2327.75, 0.0031252/step Wall: 2327.75, 0.0031252/step, 3.69816 hours remaining, 232.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 740000 3917.7113 20562.9198 14456.7988 227.4702 -202942.1145 2305.7618 0.0000 0.0000 52121.9654 -109349.4872 299.5457 -161471.4526 -108995.2771 299.6190 18.1490 51.9651 760225.4903 -3.3483 -3.2904 PRESSURE: 740200 60.5498 147.083 19.909 147.083 129.371 9.94538 19.9091 9.94445 -173.695 GPRESSURE: 740200 52.9783 -29.7303 34.5758 60.6613 221.987 -94.6754 75.9331 86.7425 -172.525 PRESSAVG: 740200 36.6739 7.15134 19.2263 7.1513 18.4128 -42.0639 19.2264 -42.0639 -8.68599 GPRESSAVG: 740200 36.709 3.81101 20.7441 6.12713 18.2373 -42.4212 18.8968 -41.5416 -8.65913 TIMING: 740200 CPU: 2328.37, 0.00312062/step Wall: 2328.37, 0.00312062/step, 3.69256 hours remaining, 232.644531 MB of memory in use. ENERGY: 740200 4012.3353 20602.4032 14550.1028 248.7503 -203060.9319 2507.0088 0.0000 0.0000 51995.2264 -109145.1051 298.8173 -161140.3315 -108779.9798 300.2686 5.4085 34.1469 758676.4813 15.4669 15.4291 LDB: ============= START OF LOAD BALANCING ============== 2340.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2340.77 LDB: =============== DONE WITH MIGRATION ================ 2340.77 LDB: ============= START OF LOAD BALANCING ============== 2341.08 LDB: Largest compute 7078 load 0.031204 is 15.9% of average load 0.195865 LDB: Average compute 0.004407 is 2.3% of average load 0.195865 LDB: TIME 2341.09 LOAD: AVG 0.195865 MAX 0.21787 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 232.133 MB LDB: TIME 2341.09 LOAD: AVG 0.195865 MAX 0.21787 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.133 MB LDB: TIME 2341.09 LOAD: AVG 0.195865 MAX 0.21787 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2341.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2341.1 PRESSURE: 740400 -6.3628 64.064 157.494 64.0641 -303.871 -74.3347 157.493 -74.3359 249.167 GPRESSURE: 740400 -50.3865 83.3695 251.944 89.5354 -235.293 -3.52033 220.868 -227.591 307.046 PRESSAVG: 740400 -19.291 -31.2884 55.3335 -31.2884 22.8333 -21.2911 55.3334 -21.2911 12.5892 GPRESSAVG: 740400 -20.2293 -32.1042 53.1235 -30.7962 23.9902 -19.9065 54.5674 -21.9244 13.0104 TIMING: 740400 CPU: 2329.01, 0.00319029/step Wall: 2329.01, 0.00319029/step, 3.77482 hours remaining, 233.312500 MB of memory in use. ENERGY: 740400 4044.0541 20698.1673 14451.3924 237.9155 -202867.4023 2237.6872 0.0000 0.0000 52102.6357 -109095.5501 299.4346 -161198.1858 -108732.2541 299.8560 -20.3558 7.1221 759277.0917 5.3772 5.5904 PRESSURE: 740600 -173.762 -4.87103 -82.499 -4.87062 -264.935 -169.317 -82.4998 -169.318 110.915 GPRESSURE: 740600 -116.117 -14.7371 -145.749 -37.8924 -238.871 -177.538 -7.61657 -227.049 104.288 PRESSAVG: 740600 -60.398 -33.478 -34.6774 -33.478 27.4395 -67.2905 -34.6774 -67.2906 -4.68633 GPRESSAVG: 740600 -59.2654 -32.0377 -33.4333 -32.6448 26.3365 -69.9369 -31.5907 -67.5098 -4.79724 TIMING: 740600 CPU: 2329.64, 0.00313256/step Wall: 2329.64, 0.00313256/step, 3.70634 hours remaining, 233.613281 MB of memory in use. ENERGY: 740600 4013.0469 20725.1427 14429.0206 248.9196 -203189.0038 2302.7756 0.0000 0.0000 52218.9650 -109251.1333 300.1031 -161470.0983 -108890.6196 300.0104 -109.2608 -83.5664 760169.2232 -12.5483 -12.5754 PRESSURE: 740800 -137.892 -106.61 -107.306 -106.611 -237.006 19.757 -107.306 19.7561 40.871 GPRESSURE: 740800 -122.195 -136.798 -101.211 13.779 -202.594 37.021 -184.386 112.806 78.368 PRESSAVG: 740800 -24.7527 -27.0329 13.867 -27.033 -17.6347 -36.7951 13.867 -36.7951 -13.9143 GPRESSAVG: 740800 -24.2899 -27.6866 13.7648 -26.9067 -17.9662 -34.9901 12.3712 -37.3142 -13.4879 TIMING: 740800 CPU: 2330.26, 0.00312735/step Wall: 2330.26, 0.00312735/step, 3.70001 hours remaining, 233.789062 MB of memory in use. ENERGY: 740800 4061.0597 20520.8576 14510.5264 250.6266 -203015.4850 2327.7521 0.0000 0.0000 52194.2734 -109150.3892 299.9612 -161344.6625 -108790.3691 300.3716 -111.3425 -82.1403 761441.7796 -18.7672 -18.5813 PRESSURE: 741000 95.3296 -49.1774 71.6847 -49.1765 -46.3935 146.735 71.6843 146.734 234.359 GPRESSURE: 741000 106.064 -113.434 2.32164 -67.4698 -54.2135 101.179 106.053 83.6614 285.629 PRESSAVG: 741000 60.1665 -19.0803 34.6113 -19.0803 -38.2902 21.5797 34.6112 21.5798 -17.0535 GPRESSAVG: 741000 59.478 -18.3993 34.0254 -19.4619 -37.1736 20.7109 33.9922 21.3047 -17.7498 TIMING: 741000 CPU: 2330.89, 0.0031248/step Wall: 2330.89, 0.0031248/step, 3.69681 hours remaining, 233.789062 MB of memory in use. ENERGY: 741000 3994.0172 20685.0954 14475.0387 250.8061 -203268.1301 2575.0018 0.0000 0.0000 52169.4693 -109118.7017 299.8187 -161288.1710 -108751.0980 300.5217 94.4319 112.4932 762308.1316 1.6076 1.5182 PRESSURE: 741200 488.039 -12.015 -108.299 -12.014 -51.6586 269.428 -108.299 269.428 -161.618 GPRESSURE: 741200 450.593 79.8104 -74.1017 -34.4316 49.2901 233.429 -234.751 259.283 -120.858 PRESSAVG: 741200 27.6355 -32.9603 26.0268 -32.9603 -14.5232 58.1679 26.0268 58.1678 -6.03798 GPRESSAVG: 741200 26.8884 -31.3111 27.5793 -33.7269 -14.9068 57.3157 26.359 58.9309 -5.08089 TIMING: 741200 CPU: 2331.51, 0.00311685/step Wall: 2331.51, 0.00311685/step, 3.68724 hours remaining, 233.789062 MB of memory in use. ENERGY: 741200 4052.5896 20572.2703 14390.8648 246.3573 -203103.2846 2589.2413 0.0000 0.0000 52242.4693 -109009.4919 300.2382 -161251.9612 -108640.8266 300.2073 91.5877 126.3416 762487.6434 2.3581 2.3002 PRESSURE: 741400 -237.969 15.1452 -47.1991 15.1458 -189.452 106.407 -47.1988 106.407 147.051 GPRESSURE: 741400 -192.966 -27.9315 -66.2216 -126.956 -149.45 77.5224 118.08 94.4125 148.222 PRESSAVG: 741400 8.92039 22.2259 35.5391 22.2259 15.5056 24.038 35.5392 24.038 0.653298 GPRESSAVG: 741400 8.89051 21.0827 34.7601 24.5304 15.3717 25.8966 33.7064 23.9957 0.654993 TIMING: 741400 CPU: 2332.14, 0.00311987/step Wall: 2332.14, 0.00311987/step, 3.69063 hours remaining, 233.789062 MB of memory in use. ENERGY: 741400 3947.7690 20554.4109 14457.8829 240.4273 -203101.9167 2253.8320 0.0000 0.0000 52583.1824 -109064.4121 302.1963 -161647.5945 -108685.6160 300.1749 -93.4565 -64.7314 761111.6920 8.3598 8.3057 PRESSURE: 741600 -329.894 70.8658 -206.913 70.866 -2.20933 253.22 -206.913 253.219 -47.1885 GPRESSURE: 741600 -182.685 -6.37586 -201.202 -19.6842 -34.0902 235.6 -47.9758 187.465 -52.0453 PRESSAVG: 741600 -32.747 -9.3799 4.2245 -9.37983 68.3311 45.2649 4.2245 45.2649 16.2388 GPRESSAVG: 741600 -31.1106 -10.7955 3.70829 -9.07332 66.9248 45.113 5.65046 45.0763 15.2693 TIMING: 741600 CPU: 2332.76, 0.00313113/step Wall: 2332.76, 0.00313113/step, 3.70378 hours remaining, 233.789062 MB of memory in use. ENERGY: 741600 3962.2005 20598.1712 14469.8756 265.5525 -202736.8650 2294.6291 0.0000 0.0000 52261.1985 -108885.2375 300.3458 -161146.4360 -108509.2880 300.3422 -126.4307 -89.6067 762075.7563 17.2743 17.0278 PRESSURE: 741800 -79.1846 39.1211 345.87 39.1212 40.9661 37.4266 345.87 37.4263 -230.567 GPRESSURE: 741800 12.5606 146.388 396.856 -46.9266 -57.351 111.724 336.352 -40.461 -141.936 PRESSAVG: 741800 -45.0157 -34.0545 12.9731 -34.0544 23.9508 41.6272 12.973 41.6272 13.5089 GPRESSAVG: 741800 -46.0094 -32.9802 13.2834 -36.5573 24.6838 41.2231 13.7018 41.1026 13.9938 TIMING: 741800 CPU: 2333.39, 0.00312845/step Wall: 2333.39, 0.00312845/step, 3.70044 hours remaining, 233.789062 MB of memory in use. ENERGY: 741800 3981.5138 20508.3346 14448.6743 240.5633 -203174.6285 2734.4187 0.0000 0.0000 52568.1064 -108693.0174 302.1096 -161261.1238 -108320.7111 300.1707 -89.5951 -62.2420 762576.5975 -2.5186 -2.4440 PRESSURE: 742000 4.98043 111.385 -99.0597 111.384 197.269 84.0906 -99.0595 84.0896 133.291 GPRESSURE: 742000 84.1957 44.6517 -6.84024 122.94 187.567 55.8488 -102.794 27.4994 169.873 PRESSAVG: 742000 -20.4448 -1.91056 -27.0476 -1.91059 26.9006 2.38593 -27.0476 2.38599 -9.17876 GPRESSAVG: 742000 -20.3049 -1.50296 -27.2276 -1.66226 27.0993 1.88458 -26.9493 4.16122 -9.28968 TIMING: 742000 CPU: 2334.01, 0.00311797/step Wall: 2334.01, 0.00311797/step, 3.68787 hours remaining, 233.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 742000 3935.7118 20721.9828 14429.6760 234.1212 -203045.1763 2437.1579 0.0000 0.0000 52465.9340 -108820.5925 301.5224 -161286.5265 -108456.8387 301.0944 111.8468 147.2121 761444.5160 -0.9077 -0.8318 PRESSURE: 742200 674.818 13.7415 12.2156 13.7422 66.0534 49.2261 12.2159 49.2265 601.652 GPRESSURE: 742200 690.227 -12.645 13.1392 47.7331 113.253 15.4417 -36.3633 -6.66722 648.106 PRESSAVG: 742200 11.4255 43.5395 8.84055 43.5396 35.9251 18.2392 8.84059 18.2392 1.62633 GPRESSAVG: 742200 11.0736 41.1801 9.06534 44.703 35.1505 18.323 6.92189 17.3615 2.74109 TIMING: 742200 CPU: 2334.64, 0.00313475/step Wall: 2334.64, 0.00313475/step, 3.70754 hours remaining, 233.789062 MB of memory in use. ENERGY: 742200 3976.1722 20726.0381 14373.0036 256.7749 -203015.9771 2536.3576 0.0000 0.0000 52375.0751 -108772.5555 301.0003 -161147.6306 -108408.0339 301.3298 447.5080 483.8620 762281.1312 16.3256 16.3217 PRESSURE: 742400 -0.444695 150.603 135.689 150.602 11.921 -7.41579 135.689 -7.41587 -121.222 GPRESSURE: 742400 -30.3694 45.7998 163.301 270.273 68.6524 -72.26 95.7166 86.8157 -48.317 PRESSAVG: 742400 -2.10263 -17.2123 62.2897 -17.2124 18.1655 1.0577 62.2897 1.0577 -2.93179 GPRESSAVG: 742400 -1.2585 -17.1475 61.6744 -17.7801 18.2131 1.75981 63.6883 2.80302 -3.78037 TIMING: 742400 CPU: 2335.27, 0.00313333/step Wall: 2335.27, 0.00313333/step, 3.70568 hours remaining, 233.789062 MB of memory in use. ENERGY: 742400 4031.2496 20695.6201 14485.5155 238.8455 -203459.4412 2744.6259 0.0000 0.0000 52162.2720 -109101.3126 299.7773 -161263.5846 -108736.0466 300.8081 -36.5820 -3.3447 761807.7828 4.3770 4.3914 PRESSURE: 742600 -50.8882 0.107915 -22.4104 0.108441 -113.15 28.4186 -22.4107 28.418 -181.176 GPRESSURE: 742600 -80.9735 15.3666 10.6716 107.52 -24.3922 22.8334 -31.039 21.3036 -166.175 PRESSAVG: 742600 -7.91331 41.2338 -17.5197 41.2338 -18.6541 -2.38194 -17.5197 -2.38197 2.62389 GPRESSAVG: 742600 -8.24989 43.7666 -16.2229 40.5752 -18.022 -3.34431 -19.0718 -5.61969 2.43153 TIMING: 742600 CPU: 2335.89, 0.00311063/step Wall: 2335.89, 0.00311063/step, 3.67867 hours remaining, 233.789062 MB of memory in use. ENERGY: 742600 4050.2280 20592.3174 14538.6307 245.8243 -203170.7256 2331.9154 0.0000 0.0000 52276.0286 -109135.7812 300.4311 -161411.8098 -108778.8226 300.2426 -115.0713 -90.5137 762080.4928 -7.9812 -7.9468 PRESSURE: 742800 -125.268 209.168 -122.531 209.168 112.008 176.405 -122.531 176.406 22.6384 GPRESSURE: 742800 -84.9813 184.992 -47.2324 245.056 153.398 25.7796 -128.445 158.515 45.2139 PRESSAVG: 742800 -67.336 -36.8872 18.2337 -36.8873 41.7174 -4.26929 18.2337 -4.26918 -2.56281 GPRESSAVG: 742800 -67.0516 -38.7985 17.1502 -35.2689 40.952 -3.63534 19.8895 -2.12758 -2.22364 TIMING: 742800 CPU: 2336.51, 0.00312566/step Wall: 2336.51, 0.00312566/step, 3.69626 hours remaining, 233.789062 MB of memory in use. ENERGY: 742800 3979.2752 20437.6103 14527.8141 249.6020 -203272.1954 2467.2258 0.0000 0.0000 52363.7385 -109246.9294 300.9351 -161610.6679 -108862.5692 300.0337 3.1260 37.8768 759999.8818 -9.3938 -9.4411 PRESSURE: 743000 -259.129 182.265 177.066 182.264 305.085 56.0112 177.065 56.0104 214.096 GPRESSURE: 743000 -126.166 195.469 105.205 -3.77707 344.74 45.3721 159.807 113.058 134.62 PRESSAVG: 743000 -52.1955 -102.749 -56.3472 -102.749 87.7761 49.953 -56.3472 49.953 2.07822 GPRESSAVG: 743000 -51.6765 -102.723 -56.3884 -104.848 88.3064 49.0842 -56.2581 48.3137 0.971163 TIMING: 743000 CPU: 2337.14, 0.00312052/step Wall: 2337.14, 0.00312052/step, 3.69002 hours remaining, 233.789062 MB of memory in use. ENERGY: 743000 3925.7185 20576.7215 14497.1579 241.4577 -203584.0411 2610.8925 0.0000 0.0000 52418.9478 -109313.1453 301.2524 -161732.0931 -108957.8719 300.3509 86.6838 117.7312 759353.6108 12.5529 12.5337 PRESSURE: 743200 -113.972 -246.06 32.861 -246.06 -83.1327 19.3631 32.8617 19.3634 472.78 GPRESSURE: 743200 -81.6573 -259.98 112.557 -204.158 -23.3632 90.8252 139.895 82.6672 464.969 PRESSAVG: 743200 10.258 -51.2421 -8.10259 -51.2421 42.3617 -28.8488 -8.10254 -28.8488 -4.09564 GPRESSAVG: 743200 9.80563 -50.4976 -9.13133 -51.564 41.3367 -29.4943 -10.0364 -27.4655 -2.58423 TIMING: 743200 CPU: 2337.76, 0.00312852/step Wall: 2337.76, 0.00312852/step, 3.6993 hours remaining, 233.789062 MB of memory in use. ENERGY: 743200 3955.4953 20547.7563 14477.1679 226.6675 -203282.2987 2584.4791 0.0000 0.0000 51975.9252 -109514.8074 298.7064 -161490.7326 -109151.5541 299.9485 91.8920 119.9829 760021.5515 16.1747 16.1860 PRESSURE: 743400 -65.0875 -138.174 50.3334 -138.175 -184.798 111.3 50.3337 111.3 -212.661 GPRESSURE: 743400 -21.586 -169.813 87.0757 -209.225 -144.494 156.696 -23.2107 -25.0192 -206.07 PRESSAVG: 743400 0.485634 -78.2632 -28.4606 -78.2632 -9.0103 6.12943 -28.4606 6.12945 2.72031 GPRESSAVG: 743400 -0.286076 -77.5099 -26.8527 -77.9724 -7.78875 4.95243 -28.9346 4.79208 2.31773 TIMING: 743400 CPU: 2338.38, 0.00310769/step Wall: 2338.38, 0.00310769/step, 3.6745 hours remaining, 233.777344 MB of memory in use. ENERGY: 743400 4055.5690 20574.6467 14380.3750 265.7033 -203147.1032 2407.1484 0.0000 0.0000 51954.4765 -109509.1842 298.5831 -161463.6607 -109152.4670 299.3495 -154.1823 -124.0501 760253.7510 -1.9348 -1.9190 PRESSURE: 743600 -16.048 -49.8818 -188.955 -49.8817 -42.5647 212.744 -188.955 212.744 296.904 GPRESSURE: 743600 -25.0823 -116.763 -180.566 -97.8415 46.88 202.297 -139.151 416.652 306.837 PRESSAVG: 743600 -4.07444 -17.6092 -52.944 -17.6092 13.1606 43.7568 -52.944 43.7568 25.2904 GPRESSAVG: 743600 -3.81979 -17.4478 -51.7258 -17.3328 13.1771 45.0661 -52.4614 45.1647 25.5909 TIMING: 743600 CPU: 2339.01, 0.00313419/step Wall: 2339.01, 0.00313419/step, 3.70565 hours remaining, 233.777344 MB of memory in use. ENERGY: 743600 3966.9902 20616.2570 14459.1140 233.1440 -203341.8912 2433.5961 0.0000 0.0000 52069.2192 -109563.5708 299.2425 -161632.7900 -109200.2223 299.4719 79.4303 109.5448 760703.8709 11.4588 11.6494 PRESSURE: 743800 203.392 119.904 20.3335 119.904 278.764 83.7614 20.334 83.7618 318.606 GPRESSURE: 743800 226.866 97.2108 -16.2035 166.828 288.493 132.456 -60.5735 11.6263 374.024 PRESSAVG: 743800 -46.7239 -18.4403 -47.4903 -18.4403 -4.86267 12.8694 -47.4903 12.8695 -18.9977 GPRESSAVG: 743800 -47.1442 -19.4381 -49.9092 -16.6816 -4.70081 13.4261 -47.7776 13.3514 -18.2591 TIMING: 743800 CPU: 2339.64, 0.00313639/step Wall: 2339.64, 0.00313639/step, 3.70809 hours remaining, 233.789062 MB of memory in use. ENERGY: 743800 3904.3995 20362.7223 14465.6707 228.3113 -203286.2900 2693.8952 0.0000 0.0000 52067.4667 -109563.8243 299.2324 -161631.2910 -109191.3637 299.0526 266.9204 296.4610 760722.4313 -23.5281 -23.3680 PRESSURE: 744000 249.779 -39.9421 -242.257 -39.9425 20.2152 30.1119 -242.257 30.1131 200.504 GPRESSURE: 744000 263.019 -108.525 -315.843 89.3027 162.433 81.527 -173.642 3.40776 161.79 PRESSAVG: 744000 -47.7948 -2.01549 -43.9885 -2.01545 79.0788 3.82886 -43.9884 3.82892 5.26991 GPRESSAVG: 744000 -46.7059 -0.732857 -42.1142 -3.96341 79.9727 2.86437 -44.5292 2.2422 3.29711 TIMING: 744000 CPU: 2340.26, 0.00312692/step Wall: 2340.26, 0.00312692/step, 3.69672 hours remaining, 233.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 744000 4014.4158 20482.3077 14413.6735 246.4905 -203659.4314 2813.0947 0.0000 0.0000 52193.5003 -109495.9488 299.9568 -161689.4491 -109131.4577 299.7767 156.8327 195.7473 760702.8978 12.1847 12.1880 PRESSURE: 744200 197.634 -137.665 154.697 -137.665 287.235 -82.8558 154.697 -82.8561 389.798 GPRESSURE: 744200 273.299 -180.68 173.618 -187.293 304.574 -76.4447 99.3542 -95.1369 361.597 PRESSAVG: 744200 -11.5593 -63.6645 -22.1619 -63.6645 -0.94199 50.4787 -22.162 50.4788 -3.43387 GPRESSAVG: 744200 -12.7109 -66.0925 -22.1734 -61.712 -1.50954 50.8869 -21.5694 50.1539 -1.64115 TIMING: 744200 CPU: 2340.89, 0.00312813/step Wall: 2340.89, 0.00312813/step, 3.69797 hours remaining, 233.789062 MB of memory in use. ENERGY: 744200 3992.8324 20443.9262 14534.3674 251.0557 -203684.0957 2939.3562 0.0000 0.0000 51869.0314 -109653.5263 298.0920 -161522.5577 -109294.3154 299.1352 291.5558 313.1566 761795.3622 -5.3117 -5.2872 LDB: ============= START OF LOAD BALANCING ============== 2353.29 LDB: ============== END OF LOAD BALANCING =============== 2353.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2353.29 LDB: ============= START OF LOAD BALANCING ============== 2353.6 LDB: Largest compute 7078 load 0.033624 is 17.2% of average load 0.195635 LDB: Average compute 0.004403 is 2.3% of average load 0.195635 LDB: TIME 2353.6 LOAD: AVG 0.195635 MAX 0.217866 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.086 MB LDB: TIME 2353.6 LOAD: AVG 0.195635 MAX 0.217866 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.086 MB LDB: TIME 2353.6 LOAD: AVG 0.195635 MAX 0.217866 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.086 MB LDB: ============== END OF LOAD BALANCING =============== 2353.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2353.61 PRESSURE: 744400 -34.9874 61.0024 -35.659 61.0022 30.0971 -92.7686 -35.6598 -92.7699 -27.666 GPRESSURE: 744400 -69.4424 15.1587 -67.2413 63.8359 48.6584 -167.137 -12.381 -22.0887 45.5909 PRESSAVG: 744400 -39.8582 -22.8126 -58.236 -22.8126 46.3859 -9.00884 -58.2359 -9.00883 14.9356 GPRESSAVG: 744400 -39.6787 -21.0705 -59.1171 -25.8976 46.1899 -11.5675 -58.1022 -7.77569 15.4889 TIMING: 744400 CPU: 2341.53, 0.00318695/step Wall: 2341.53, 0.00318695/step, 3.76733 hours remaining, 233.402344 MB of memory in use. ENERGY: 744400 3986.3354 20420.4958 14530.8927 244.5166 -203343.6479 2640.5382 0.0000 0.0000 51851.1852 -109669.6839 297.9895 -161520.8691 -109319.3767 298.7128 -10.8521 8.2690 761995.9539 7.1544 7.3334 PRESSURE: 744600 -139.743 203.699 -8.85641 203.699 -40.2877 110.514 -8.85649 110.513 485.464 GPRESSURE: 744600 -97.6744 154.268 -33.4469 190.189 56.6245 133.115 119.655 138.458 406.099 PRESSAVG: 744600 -33.7528 -43.3397 5.88313 -43.3398 34.3692 1.8419 5.88314 1.84187 -12.8881 GPRESSAVG: 744600 -33.9367 -43.4373 6.25935 -40.9381 34.0257 3.71238 6.41251 1.84551 -12.7551 TIMING: 744600 CPU: 2342.15, 0.00311016/step Wall: 2342.15, 0.00311016/step, 3.67638 hours remaining, 233.734375 MB of memory in use. ENERGY: 744600 3942.7603 20540.8527 14549.0143 253.4994 -203608.8482 2890.8973 0.0000 0.0000 51947.8845 -109483.9396 298.5452 -161431.8241 -109118.7261 298.9091 101.8111 121.6831 762470.4034 -4.0906 -4.2220 PRESSURE: 744800 -171.548 27.0178 -32.0177 27.0169 336.352 -191.692 -32.0172 -191.692 -330.742 GPRESSURE: 744800 -140.243 73.2373 -102.331 8.64184 333.986 -135.549 -91.1398 2.43308 -270.895 PRESSAVG: 744800 -45.4435 -41.6495 8.83312 -41.6496 37.637 -13.3272 8.83312 -13.3271 -3.56749 GPRESSAVG: 744800 -44.9413 -42.4111 7.44905 -42.4529 37.9461 -12.0168 10.7708 -13.6882 -4.40365 TIMING: 744800 CPU: 2342.77, 0.00312561/step Wall: 2342.77, 0.00312561/step, 3.69447 hours remaining, 233.734375 MB of memory in use. ENERGY: 744800 3974.5798 20380.4088 14545.7707 265.5601 -203328.2555 2611.6741 0.0000 0.0000 52065.6044 -109484.6577 299.2217 -161550.2621 -109112.4018 299.3937 -55.3127 -25.7174 761046.1270 -3.7913 -3.7996 PRESSURE: 745000 0.246193 64.8338 1.86261 64.8342 -167.337 -114.852 1.86252 -114.851 -303.902 GPRESSURE: 745000 20.6143 45.6933 41.8441 89.2731 -223.666 -62.3329 -11.0326 -85.4952 -177.53 PRESSAVG: 745000 -22.4962 -52.8772 7.14522 -52.8772 -1.16883 32.0616 7.14523 32.0615 7.57303 GPRESSAVG: 745000 -22.0615 -53.0297 8.53074 -52.5755 -2.07607 30.9813 4.88992 31.0724 7.51354 TIMING: 745000 CPU: 2343.4, 0.00312575/step Wall: 2343.4, 0.00312575/step, 3.69446 hours remaining, 233.734375 MB of memory in use. ENERGY: 745000 4004.5961 20489.2588 14609.3907 258.3717 -203559.7687 2790.7190 0.0000 0.0000 52148.0014 -109259.4310 299.6953 -161407.4324 -108906.2766 299.9156 -156.9975 -126.8607 760624.1004 -5.3640 -5.5413 PRESSURE: 745200 70.8237 166.666 81.9472 166.666 -158.423 -145.149 81.9478 -145.15 -316.408 GPRESSURE: 745200 155.552 159.758 61.7995 57.2464 -102.253 -199.033 90.1602 -70.1837 -377.076 PRESSAVG: 745200 -0.816904 -1.09067 47.2839 -1.09075 4.31122 20.4605 47.2839 20.4605 9.78424 GPRESSAVG: 745200 -0.252414 0.14183 47.2591 -4.07401 3.55552 21.533 47.5052 21.0672 9.67656 TIMING: 745200 CPU: 2344.02, 0.00312571/step Wall: 2344.02, 0.00312571/step, 3.69425 hours remaining, 233.734375 MB of memory in use. ENERGY: 745200 4018.7218 20605.8220 14563.7461 237.6645 -203594.2979 2635.3504 0.0000 0.0000 52289.3045 -109243.6886 300.5074 -161532.9930 -108882.0863 300.1160 -134.6691 -107.9254 761297.4463 4.4262 4.3266 PRESSURE: 745400 -414.863 30.7562 10.6658 30.7559 -122.108 33.5092 10.6662 33.5107 -40.1428 GPRESSURE: 745400 -348.201 -58.9293 68.0109 -31.2128 -117.561 94.3359 77.2378 -105.978 -21.0511 PRESSAVG: 745400 18.0842 -65.2334 -9.77211 -65.2335 7.08804 29.5882 -9.77212 29.5881 26.012 GPRESSAVG: 745400 16.0357 -68.5831 -10.3058 -62.0062 8.83348 28.4445 -10.2426 30.508 27.2305 TIMING: 745400 CPU: 2344.65, 0.00312269/step Wall: 2344.65, 0.00312269/step, 3.6905 hours remaining, 233.734375 MB of memory in use. ENERGY: 745400 3984.1509 20616.8298 14473.9634 252.5755 -203089.5711 2270.2371 0.0000 0.0000 52090.7524 -109401.0620 299.3663 -161491.8145 -109047.0430 300.2192 -192.3714 -162.2711 763160.5346 17.0614 17.3666 PRESSURE: 745600 7.56368 -168.557 6.10925 -168.557 19.4907 -7.21978 6.10909 -7.21939 -66.693 GPRESSURE: 745600 30.5672 -48.2229 -14.7424 -163.076 17.9836 -32.141 -55.2397 125.881 0.733482 PRESSAVG: 745600 -16.824 -31.5583 -21.8898 -31.5584 4.46991 -20.4638 -21.8898 -20.4638 16.3218 GPRESSAVG: 745600 -16.6879 -29.3876 -22.4108 -33.6357 5.32141 -20.3668 -22.144 -21.8748 15.4891 TIMING: 745600 CPU: 2345.27, 0.00311524/step Wall: 2345.27, 0.00311524/step, 3.68152 hours remaining, 233.734375 MB of memory in use. ENERGY: 745600 4013.7630 20574.5598 14525.4986 232.2796 -203754.3437 2849.9735 0.0000 0.0000 52063.5445 -109494.7248 299.2099 -161558.2693 -109140.4526 299.4719 -13.2129 16.4281 762193.7783 1.3226 1.3742 PRESSURE: 745800 -429.677 120.003 168.623 120.003 -26.6997 45.9165 168.623 45.9164 -88.1985 GPRESSURE: 745800 -423.969 141.194 250.698 94.4324 -26.1347 97.3245 28.776 27.8915 -40.7211 PRESSAVG: 745800 -5.20039 -26.4634 -65.1042 -26.4634 -39.321 -37.4352 -65.1041 -37.4353 11.2803 GPRESSAVG: 745800 -4.30258 -27.4364 -64.5805 -23.1807 -40.905 -37.9846 -65.9776 -38.1916 11.3702 TIMING: 745800 CPU: 2345.9, 0.00314584/step Wall: 2345.9, 0.00314583/step, 3.7175 hours remaining, 233.734375 MB of memory in use. ENERGY: 745800 3998.7526 20581.5163 14381.7546 235.1501 -203377.9105 2554.1792 0.0000 0.0000 52120.6181 -109505.9395 299.5379 -161626.5576 -109137.9066 299.6869 -181.5251 -163.6082 763677.9775 -11.0804 -11.2791 PRESSURE: 746000 91.0124 109.629 109.049 109.629 -79.3758 49.6424 109.049 49.6427 -213.357 GPRESSURE: 746000 124.655 64.9322 77.7533 81.7023 -73.4983 80.3171 54.0113 49.5959 -191.675 PRESSAVG: 746000 -20.9484 -76.1286 -3.75417 -76.1286 -37.1454 13.4301 -3.75418 13.4302 2.0926 GPRESSAVG: 746000 -21.6745 -74.9925 -4.14358 -77.8951 -37.3409 14.2782 -1.62575 14.1607 3.06968 TIMING: 746000 CPU: 2346.53, 0.00313815/step Wall: 2346.53, 0.00313815/step, 3.70825 hours remaining, 233.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 746000 3946.8394 20509.9016 14517.1023 252.7390 -203882.0910 2861.2896 0.0000 0.0000 52261.9565 -109532.2625 300.3502 -161794.2191 -109167.9835 299.1822 -67.2403 -46.8395 761274.8588 -18.6670 -18.6486 PRESSURE: 746200 -256.996 -24.269 10.049 -24.2698 99.8818 247.361 10.0489 247.361 -38.9155 GPRESSURE: 746200 -225.274 -94.2348 59.1975 -33.8847 143.133 291.456 77.8857 222.88 -21.4113 PRESSAVG: 746200 -31.7992 -32.896 15.5836 -32.896 17.6152 63.0646 15.5836 63.0646 2.76495 GPRESSAVG: 746200 -31.4516 -33.4628 15.785 -32.4006 18.5828 64.4769 15.128 62.7826 1.3754 TIMING: 746200 CPU: 2347.15, 0.00312564/step Wall: 2347.15, 0.00312564/step, 3.6933 hours remaining, 233.734375 MB of memory in use. ENERGY: 746200 4095.2242 20627.5168 14521.3621 254.6131 -203570.9355 2708.4527 0.0000 0.0000 51967.4476 -109396.3190 298.6576 -161363.7666 -109036.2134 299.7219 -65.3432 -34.5175 759114.2746 -3.8064 -3.8311 PRESSURE: 746400 -246.138 -177.767 -6.80783 -177.768 16.7706 -29.0581 -6.809 -29.0577 -17.8571 GPRESSURE: 746400 -240.94 -190.092 -60.7405 -190.961 4.32382 -5.36741 -10.0587 -167.965 81.463 PRESSAVG: 746400 4.8493 -18.4528 8.00888 -18.4528 24.6056 68.0283 8.00889 68.0283 7.34566 GPRESSAVG: 746400 6.09732 -18.286 6.42658 -16.9366 24.3763 65.864 9.32506 70.071 6.45236 TIMING: 746400 CPU: 2347.78, 0.00312398/step Wall: 2347.78, 0.00312398/step, 3.69116 hours remaining, 233.734375 MB of memory in use. ENERGY: 746400 3921.1420 20758.2246 14555.2857 230.5647 -204021.8689 2830.2366 0.0000 0.0000 52317.8104 -109408.6050 300.6712 -161726.4154 -109055.9366 299.6508 -82.4082 -51.7176 760564.6052 12.2669 12.3087 PRESSURE: 746600 67.5931 -70.3857 210.338 -70.3855 -95.8319 256.611 210.338 256.611 305.28 GPRESSURE: 746600 68.0773 24.2808 265.375 -77.4715 26.4674 341.658 142.794 223.297 265.041 PRESSAVG: 746600 -2.23979 -58.7008 -28.713 -58.7009 30.5494 36.8913 -28.713 36.8912 2.44772 GPRESSAVG: 746600 -2.98741 -56.4712 -28.3479 -60.7934 30.539 38.3273 -28.2001 34.6443 3.61704 TIMING: 746600 CPU: 2348.4, 0.00311552/step Wall: 2348.4, 0.00311552/step, 3.68099 hours remaining, 233.734375 MB of memory in use. ENERGY: 746600 3943.7932 20797.0612 14411.8699 233.0250 -203459.9409 2592.6234 0.0000 0.0000 52211.6544 -109269.9138 300.0611 -161481.5681 -108906.7996 299.2815 92.3471 119.8620 761461.6159 10.2524 10.3895 PRESSURE: 746800 -121.811 -103.755 118.113 -103.755 263.339 -180.075 118.113 -180.076 -235.824 GPRESSURE: 746800 -36.0385 57.3401 116.509 -93.135 267.373 -213.846 236.758 -151.541 -255.562 PRESSAVG: 746800 27.0986 -80.54 1.38549 -80.54 20.81 -11.8314 1.38553 -11.8315 -6.21792 GPRESSAVG: 746800 27.3737 -81.6484 2.40338 -79.8639 22.8107 -14.0419 1.02516 -7.51475 -7.47121 TIMING: 746800 CPU: 2349.03, 0.00311595/step Wall: 2349.03, 0.00311595/step, 3.68132 hours remaining, 233.734375 MB of memory in use. ENERGY: 746800 4032.0551 20469.9625 14520.1120 240.5586 -203604.0556 2707.3123 0.0000 0.0000 52101.3383 -109532.7168 299.4271 -161634.0551 -109161.2462 299.7461 -31.4320 -8.0761 762222.3731 13.8969 14.2377 PRESSURE: 747000 -74.2249 124.912 21.9331 124.911 -84.1857 174.195 21.9325 174.194 -13.2913 GPRESSURE: 747000 -8.8329 128.137 9.84306 81.3107 -39.6851 182.064 11.4292 117.426 -60.5882 PRESSAVG: 747000 19.6054 -31.6785 25.6966 -31.6785 0.19142 -18.5006 25.6966 -18.5007 -16.3248 GPRESSAVG: 747000 18.4677 -31.4339 26.4827 -32.157 -1.15808 -19.1791 27.1614 -21.0619 -14.2203 TIMING: 747000 CPU: 2349.65, 0.00311261/step Wall: 2349.65, 0.00311261/step, 3.67721 hours remaining, 233.800781 MB of memory in use. ENERGY: 747000 4012.7019 20537.0475 14459.2884 232.2660 -203341.3286 2664.0415 0.0000 0.0000 51977.9079 -109458.0755 298.7178 -161435.9834 -109090.7636 299.1389 -57.2340 -36.3687 761281.8750 1.1573 1.0298 PRESSURE: 747200 -135.396 39.2454 -112.445 39.2448 -497.634 -168.348 -112.445 -168.347 -258.612 GPRESSURE: 747200 -36.3383 1.40883 -82.0829 162.949 -425.81 -132.738 -88.5699 -118.23 -329.936 PRESSAVG: 747200 -36.1498 -32.7171 -28.9591 -32.7172 50.586 -17.4568 -28.9591 -17.4568 -0.0147492 GPRESSAVG: 747200 -33.9028 -33.2792 -31.3979 -32.1204 48.6683 -15.9171 -28.7727 -16.2163 0.409037 TIMING: 747200 CPU: 2350.27, 0.0031133/step Wall: 2350.27, 0.00311329/step, 3.67784 hours remaining, 233.800781 MB of memory in use. ENERGY: 747200 4024.7078 20479.7034 14508.1595 256.9358 -202888.6729 2436.8766 0.0000 0.0000 51738.1309 -109444.1589 297.3397 -161182.2898 -109090.1520 299.3038 -297.2143 -264.0280 761717.6832 4.8072 5.0582 PRESSURE: 747400 -63.8535 188.245 -62.3673 188.246 76.0632 179.785 -62.3667 179.785 -31.7246 GPRESSURE: 747400 -41.9939 86.2272 51.9634 31.4061 54.9033 26.1916 -60.3993 84.7075 40.4762 PRESSAVG: 747400 -80.0444 -58.2614 -25.5663 -58.2613 24.4976 9.65329 -25.5663 9.65328 14.502 GPRESSAVG: 747400 -80.8537 -59.5128 -22.1236 -58.8566 26.1744 9.14206 -28.291 8.01554 12.9863 TIMING: 747400 CPU: 2350.89, 0.00312189/step Wall: 2350.89, 0.00312189/step, 3.68782 hours remaining, 233.800781 MB of memory in use. ENERGY: 747400 3983.5212 20695.7683 14434.6784 221.1955 -203317.4010 2526.5705 0.0000 0.0000 51964.9254 -109490.7418 298.6431 -161455.6671 -109123.6268 299.0640 -6.5050 17.7952 761605.7242 -13.6816 -13.8977 PRESSURE: 747600 36.8979 -57.8715 -64.3666 -57.8729 -106.323 290.347 -64.3669 290.348 38.8614 GPRESSURE: 747600 115.212 57.3031 -21.0854 43.5203 -164.121 200.986 154.736 261.18 94.9863 PRESSAVG: 747600 -77.0606 -20.1398 -16.5249 -20.1398 22.148 70.5643 -16.5249 70.5643 -3.25685 GPRESSAVG: 747600 -78.1959 -19.638 -17.4161 -19.914 22.304 70.4242 -15.3896 70.1233 -2.57338 TIMING: 747600 CPU: 2351.52, 0.00310785/step Wall: 2351.52, 0.00310785/step, 3.67107 hours remaining, 233.800781 MB of memory in use. ENERGY: 747600 4004.7829 20572.8111 14414.7557 246.6278 -203404.0406 2808.0098 0.0000 0.0000 52001.3116 -109355.7416 298.8523 -161357.0532 -108991.7320 298.7937 -10.1879 15.3590 760399.6131 -19.3898 -19.4884 PRESSURE: 747800 -196.25 -215.736 56.8235 -215.736 -94.0761 89.0682 56.823 89.0675 -147.72 GPRESSURE: 747800 -161.734 -234.267 100.441 -245.033 -25.122 247.988 -114.684 56.7674 -174.677 PRESSAVG: 747800 -31.6136 -54.3457 14.3882 -54.3457 -13.4442 33.2673 14.3881 33.2673 -4.0942 GPRESSAVG: 747800 -30.6803 -53.483 12.4042 -55.5177 -13.9776 33.762 14.734 33.9325 -4.51381 TIMING: 747800 CPU: 2352.14, 0.00311453/step Wall: 2352.14, 0.00311453/step, 3.67878 hours remaining, 233.800781 MB of memory in use. ENERGY: 747800 3914.8429 20453.8642 14516.2602 214.4667 -203330.2635 2822.9152 0.0000 0.0000 51994.0782 -109413.8360 298.8107 -161407.9142 -109049.4833 299.2609 -146.0154 -120.5110 762942.6025 -16.3840 -16.3906 PRESSURE: 748000 177.646 -58.5992 -114.745 -58.5994 -246.008 -298.73 -114.745 -298.731 248.072 GPRESSURE: 748000 222.921 -48.4291 -119.871 -54.3191 -238.839 -348.68 -98.8035 -149.964 280.689 PRESSAVG: 748000 23.1306 -61.9685 -33.5275 -61.9685 -15.9224 8.0848 -33.5275 8.08474 -4.8927 GPRESSAVG: 748000 22.102 -61.9411 -33.0428 -62.2761 -15.1891 7.89877 -34.1481 8.47214 -4.3605 TIMING: 748000 CPU: 2352.76, 0.00312675/step Wall: 2352.76, 0.00312675/step, 3.69304 hours remaining, 233.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 748000 4024.2698 20394.0036 14464.4775 230.4716 -203590.4409 2709.3484 0.0000 0.0000 52022.7803 -109745.0897 298.9756 -161767.8699 -109386.2706 299.0849 59.9033 88.2571 761259.7012 0.7718 0.8508 PRESSURE: 748200 -57.1188 -182.747 50.9855 -182.748 -89.9271 133.58 50.986 133.581 -195.022 GPRESSURE: 748200 -61.9517 -147.435 -82.6017 -214.006 13.3914 73.9658 136.007 149.662 -191.837 PRESSAVG: 748200 45.4748 -62.3165 -16.7937 -62.3164 -21.0653 46.2948 -16.7937 46.2949 -12.4344 GPRESSAVG: 748200 45.49 -63.5085 -18.1935 -60.4932 -20.795 45.6081 -16.8928 46.9024 -12.8071 TIMING: 748200 CPU: 2353.39, 0.00311168/step Wall: 2353.39, 0.00311168/step, 3.67507 hours remaining, 233.800781 MB of memory in use. ENERGY: 748200 3973.3354 20476.8314 14566.6203 234.1904 -203350.9967 2598.8711 0.0000 0.0000 51965.8578 -109535.2904 298.6485 -161501.1482 -109170.9744 298.7328 -114.0227 -80.1324 761047.5593 3.9917 3.9626 LDB: ============= START OF LOAD BALANCING ============== 2365.78 LDB: ============== END OF LOAD BALANCING =============== 2365.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2365.78 LDB: ============= START OF LOAD BALANCING ============== 2366.1 LDB: Largest compute 7056 load 0.033201 is 16.9% of average load 0.195910 LDB: Average compute 0.004385 is 2.2% of average load 0.195910 LDB: TIME 2366.1 LOAD: AVG 0.19591 MAX 0.221333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.656 MB LDB: TIME 2366.1 LOAD: AVG 0.19591 MAX 0.221333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.715 MB LDB: TIME 2366.1 LOAD: AVG 0.19591 MAX 0.213951 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.715 MB LDB: ============== END OF LOAD BALANCING =============== 2366.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2366.11 PRESSURE: 748400 -151.592 10.4679 0.932157 10.4672 -113.383 4.00598 0.932727 4.00447 -314.359 GPRESSURE: 748400 -111.127 5.06747 23.9835 -31.6468 -104.438 59.8169 119.895 -1.51884 -281.774 PRESSAVG: 748400 10.85 -75.9621 0.338271 -75.962 -46.4457 57.7562 0.338238 57.7561 -16.3084 GPRESSAVG: 748400 11.7382 -73.6053 2.88011 -76.5919 -47.033 59.383 -1.00357 57.7162 -16.4303 TIMING: 748400 CPU: 2354.03, 0.00320163/step Wall: 2354.03, 0.00320163/step, 3.78113 hours remaining, 234.152344 MB of memory in use. ENERGY: 748400 3998.8804 20433.3391 14513.2129 247.1315 -203527.3253 2607.8401 0.0000 0.0000 51992.5897 -109734.3317 298.8021 -161726.9213 -109372.0418 299.0059 -193.1113 -165.7797 760486.6133 -17.3014 -17.2417 PRESSURE: 748600 -281.871 -49.3534 -116.189 -49.3526 -432.823 55.2788 -116.189 55.2788 -107.828 GPRESSURE: 748600 -231.97 82.1487 -125.734 -36.3715 -353.492 -17.7326 -216.479 -27.4303 -143.957 PRESSAVG: 748600 5.26561 -19.6469 9.64748 -19.647 -25.7044 -3.15636 9.64752 -3.15634 0.322876 GPRESSAVG: 748600 5.31094 -20.6786 7.54744 -20.2488 -25.7088 -2.99467 10.8193 -3.34145 1.09183 TIMING: 748600 CPU: 2354.65, 0.00311523/step Wall: 2354.65, 0.00311523/step, 3.67891 hours remaining, 234.152344 MB of memory in use. ENERGY: 748600 4035.4601 20504.3280 14519.4626 258.7395 -203920.4920 3016.8800 0.0000 0.0000 51893.5656 -109692.0561 298.2330 -161585.6217 -109344.5172 298.8250 -274.1740 -243.1396 761843.2235 -6.7053 -6.4354 PRESSURE: 748800 6.42315 -42.3541 172.086 -42.3538 30.4785 34.2838 172.086 34.2837 -124.159 GPRESSURE: 748800 90.1689 107.469 213.521 -133.874 98.9809 63.3568 -37.5107 45.6103 -210.166 PRESSAVG: 748800 -6.7195 -29.2886 -4.33484 -29.2886 -42.9076 55.6481 -4.33487 55.6482 -3.91046 GPRESSAVG: 748800 -6.5079 -29.7708 -3.27283 -26.9537 -42.353 54.4185 -7.07178 54.9744 -5.36217 TIMING: 748800 CPU: 2355.28, 0.00312572/step Wall: 2355.28, 0.00312572/step, 3.69113 hours remaining, 234.355469 MB of memory in use. ENERGY: 748800 4064.9295 20478.9064 14444.4941 243.2875 -203793.1335 2752.1735 0.0000 0.0000 51991.0214 -109818.3211 298.7931 -161809.3425 -109449.3771 298.3393 -29.0858 -7.0054 761008.2461 -17.8459 -18.0744 PRESSURE: 749000 0.924387 40.7887 1.77193 40.7885 -20.3755 193.887 1.77067 193.888 202.808 GPRESSURE: 749000 81.2312 52.2103 -8.96085 53.6906 -32.364 165.617 161.766 122.295 201.837 PRESSAVG: 749000 7.26884 -12.2038 -4.7001 -12.2039 18.0705 18.949 -4.70015 18.949 9.85564 GPRESSAVG: 749000 6.73545 -11.3894 -4.89285 -14.4151 18.9183 18.8355 -1.6016 19.1184 9.53483 TIMING: 749000 CPU: 2355.9, 0.0031183/step Wall: 2355.9, 0.0031183/step, 3.68219 hours remaining, 234.355469 MB of memory in use. ENERGY: 749000 3955.3310 20656.6080 14480.4039 261.5223 -203739.2580 2701.0005 0.0000 0.0000 51910.6954 -109773.6968 298.3315 -161684.3922 -109414.0069 299.1325 61.1190 83.5681 759930.4443 11.7317 11.7295 PRESSURE: 749200 201.27 247.477 -67.3197 247.477 202.266 -4.98539 -67.3198 -4.98476 546.394 GPRESSURE: 749200 221.639 187.04 -85.2414 165.465 259.014 -24.5347 -15.4217 116.889 565.054 PRESSAVG: 749200 -24.9147 7.55019 -36.1015 7.55022 20.0957 -6.64339 -36.1015 -6.64334 12.6525 GPRESSAVG: 749200 -24.6731 7.90784 -35.4414 8.49553 18.3787 -6.78931 -37.9746 -6.53836 14.5583 TIMING: 749200 CPU: 2356.52, 0.00311653/step Wall: 2356.52, 0.00311653/step, 3.67994 hours remaining, 234.355469 MB of memory in use. ENERGY: 749200 3900.0297 20492.8009 14519.5541 255.0556 -203733.7706 2877.5162 0.0000 0.0000 52042.0151 -109646.7989 299.0862 -161688.8140 -109285.4871 299.1976 316.6432 348.5689 759929.2591 2.6112 2.7546 PRESSURE: 749400 -189.221 -24.4249 -77.3699 -24.4247 -220.222 -12.1396 -77.3703 -12.1396 -132.139 GPRESSURE: 749400 -120.316 -51.8641 -66.4543 -76.573 -179.377 -167.962 25.8639 42.1736 -123.737 PRESSAVG: 749400 2.81068 -1.27568 -39.9363 -1.27569 4.34723 -2.47036 -39.9363 -2.47032 -18.1054 GPRESSAVG: 749400 2.42611 -2.38466 -41.8251 -2.94566 6.17521 -2.08361 -38.8775 -1.964 -19.1527 TIMING: 749400 CPU: 2357.15, 0.00311326/step Wall: 2357.15, 0.00311326/step, 3.6759 hours remaining, 234.355469 MB of memory in use. ENERGY: 749400 4025.0939 20598.0522 14500.0434 236.6116 -203571.3663 2617.5081 0.0000 0.0000 51971.0704 -109622.9867 298.6785 -161594.0571 -109257.1292 299.1147 -180.5273 -141.1433 761195.8991 -3.6492 -3.5171 PRESSURE: 749600 180.594 -46.7165 223.746 -46.7163 -281.943 0.944118 223.746 0.943933 -259.889 GPRESSURE: 749600 170.802 -47.192 210.184 21.5422 -196.825 76.9157 88.9942 75.2043 -249.906 PRESSAVG: 749600 -33.3521 5.94696 -0.689066 5.94698 -15.3013 21.5554 -0.689048 21.5553 9.51469 GPRESSAVG: 749600 -32.6237 7.11797 -0.287668 7.54183 -15.5947 22.0464 -0.877367 20.7358 9.50678 TIMING: 749600 CPU: 2357.77, 0.00312135/step Wall: 2357.77, 0.00312135/step, 3.68527 hours remaining, 234.355469 MB of memory in use. ENERGY: 749600 4064.8608 20569.8395 14457.3822 246.9503 -203984.6852 2912.1200 0.0000 0.0000 52083.8494 -109649.6831 299.3266 -161733.5325 -109275.1847 299.1247 -120.4126 -91.9765 761897.8077 -13.0463 -12.9039 PRESSURE: 749800 44.7568 129.592 154.856 129.593 -72.6482 -15.8241 154.856 -15.8248 -277.952 GPRESSURE: 749800 -73.8544 133.757 84.8087 64.0611 115.169 -63.7318 81.2426 45.7377 -271.657 PRESSAVG: 749800 6.51128 34.0454 -27.972 34.0454 5.09298 -0.63767 -27.972 -0.63764 -25.7617 GPRESSAVG: 749800 4.92965 35.8449 -27.3915 32.2197 6.39318 -1.793 -28.3684 -0.175881 -25.7082 TIMING: 749800 CPU: 2358.4, 0.00313747/step Wall: 2358.4, 0.00313747/step, 3.70413 hours remaining, 234.355469 MB of memory in use. ENERGY: 749800 3993.1721 20586.9163 14548.4442 248.6444 -204069.4576 2879.2992 0.0000 0.0000 52151.4539 -109661.5275 299.7151 -161812.9814 -109291.9495 299.2469 -101.9479 -76.7808 760965.8743 -4.7191 -4.7951 PRESSURE: 750000 102.163 209.429 138.084 209.43 315.726 143.712 138.084 143.712 261.755 GPRESSURE: 750000 189.637 179.799 116.487 99.1613 349.234 146.508 149.476 107.405 251.987 PRESSAVG: 750000 -35.0797 -15.9 1.83431 -15.9 66.5308 -7.56723 1.83435 -7.56717 -3.76804 GPRESSAVG: 750000 -33.7564 -16.7861 0.831619 -15.5474 65.6663 -8.57407 3.60772 -6.42805 -3.83572 TIMING: 750000 CPU: 2359.02, 0.00313265/step Wall: 2359.02, 0.00313265/step, 3.69826 hours remaining, 234.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 750000 3968.8745 20763.6562 14513.4495 255.8012 -203778.6644 2677.4449 0.0000 0.0000 52058.9943 -109540.4438 299.1838 -161599.4381 -109174.8464 299.1905 226.5480 263.6192 761453.5506 9.2277 9.3580 PRESSURE: 750200 -29.5987 48.9701 -269.491 48.9697 -0.603181 99.3421 -269.491 99.341 -0.982378 GPRESSURE: 750200 -15.0588 1.49218 -283.953 110.101 80.3558 109.828 -272.647 -2.26828 -7.74648 PRESSAVG: 750200 25.4317 21.6023 -14.5627 21.6022 -21.2221 11.7931 -14.5628 11.7931 -3.03378 GPRESSAVG: 750200 24.808 21.0574 -14.5416 22.3537 -21.5605 13.5139 -16.1672 9.60068 -2.54797 TIMING: 750200 CPU: 2359.65, 0.00312018/step Wall: 2359.65, 0.00312018/step, 3.68338 hours remaining, 234.558594 MB of memory in use. ENERGY: 750200 4036.5496 20671.5980 14559.9829 264.0481 -204434.7700 2911.1628 0.0000 0.0000 52140.2505 -109851.1781 299.6507 -161991.4286 -109482.7112 299.1516 -10.3947 19.1835 758747.5126 0.3919 0.2332 PRESSURE: 750400 -122.659 39.4293 318.528 39.4305 -43.1456 -224.034 318.529 -224.034 -8.80359 GPRESSURE: 750400 -61.1177 -37.7036 312.226 -28.6583 -92.8651 -217.448 157.652 -256.785 55.9128 PRESSAVG: 750400 33.8487 27.1678 4.92496 27.1678 -22.1626 -10.944 4.92494 -10.944 46.4016 GPRESSAVG: 750400 34.7802 27.4553 3.98931 27.0585 -23.1639 -11.36 2.90879 -10.0645 47.1216 TIMING: 750400 CPU: 2360.27, 0.00312867/step Wall: 2360.27, 0.00312867/step, 3.69322 hours remaining, 234.558594 MB of memory in use. ENERGY: 750400 3984.4492 20631.3674 14453.4230 232.5573 -203787.3355 2621.5956 0.0000 0.0000 52103.7955 -109760.1475 299.4412 -161863.9429 -109399.1244 298.9619 -58.2026 -32.6900 762256.8600 19.3626 19.5793 PRESSURE: 750600 -110.308 -68.9145 50.0464 -68.9146 -674.275 140.117 50.0471 140.118 -192.44 GPRESSURE: 750600 -171.184 88.6294 32.5977 -77.738 -565.801 161.129 69.0009 15.3153 -178.516 PRESSAVG: 750600 49.2542 24.236 -26.1393 24.2361 -51.0181 58.0999 -26.1393 58.0999 3.99868 GPRESSAVG: 750600 49.736 24.8352 -24.6618 22.3706 -50.4318 58.7344 -24.7679 58.2368 3.03301 TIMING: 750600 CPU: 2360.9, 0.00311778/step Wall: 2360.9, 0.00311778/step, 3.68019 hours remaining, 234.558594 MB of memory in use. ENERGY: 750600 4101.9727 20628.7475 14461.8842 267.8480 -203620.4926 2571.0593 0.0000 0.0000 51646.6057 -109942.3752 296.8138 -161588.9809 -109577.0879 298.8153 -325.6743 -305.1667 762457.9314 0.7449 0.7791 PRESSURE: 750800 -13.834 -41.4578 -220.09 -41.4577 -228.217 100.016 -220.09 100.017 98.8246 GPRESSURE: 750800 103.971 -96.1852 -135.267 -13.6339 -210.621 94.6593 -132.118 195.145 68.9065 PRESSAVG: 750800 49.1776 -4.60888 49.4089 -4.60889 -49.3336 49.437 49.4089 49.437 -4.34136 GPRESSAVG: 750800 49.7761 -7.79926 48.6801 -2.2835 -50.6306 48.963 50.6178 47.5374 -3.55122 TIMING: 750800 CPU: 2361.52, 0.00312084/step Wall: 2361.52, 0.00312084/step, 3.68363 hours remaining, 234.558594 MB of memory in use. ENERGY: 750800 3990.6291 20538.3634 14518.3757 245.8941 -204184.1135 3135.8800 0.0000 0.0000 51892.6265 -109862.3447 298.2276 -161754.9712 -109509.1981 298.4510 -47.7422 -12.5812 760362.6162 -1.4991 -1.4686 PRESSURE: 751000 18.9161 -23.0141 -29.4652 -23.0138 -31.3798 -5.57383 -29.4654 -5.57439 127.762 GPRESSURE: 751000 117.549 23.6021 -1.97412 -28.8692 -90.2151 78.65 -31.2869 -102.647 162.127 PRESSAVG: 751000 -34.7924 33.5803 20.0212 33.5803 7.624 62.3065 20.0212 62.3064 -13.193 GPRESSAVG: 751000 -35.642 33.4335 20.8919 33.4706 8.78487 62.6713 19.2491 63.5695 -13.3155 TIMING: 751000 CPU: 2362.14, 0.00311213/step Wall: 2362.14, 0.00311213/step, 3.67318 hours remaining, 234.558594 MB of memory in use. ENERGY: 751000 4033.0011 20616.7259 14524.6883 238.6568 -204193.5564 2922.5312 0.0000 0.0000 51924.5977 -109933.3554 298.4114 -161857.9531 -109574.9417 298.4302 38.4329 63.1537 760871.2479 -13.4538 -13.3909 PRESSURE: 751200 -10.4676 173.423 24.9574 173.423 -203.644 170.569 24.9575 170.569 -157.286 GPRESSURE: 751200 12.5018 122.243 68.6697 136.869 -178.379 133.76 -20.1339 197.751 -130.836 PRESSAVG: 751200 33.546 16.2164 -28.4585 16.2166 5.40798 -18.8127 -28.4585 -18.8128 11.4835 GPRESSAVG: 751200 32.7105 17.9736 -28.498 15.5274 6.37042 -19.8121 -27.8476 -17.0743 11.9132 TIMING: 751200 CPU: 2362.77, 0.00311615/step Wall: 2362.77, 0.00311615/step, 3.67775 hours remaining, 234.558594 MB of memory in use. ENERGY: 751200 3958.9177 20279.4678 14572.8589 231.6811 -203781.5840 2541.6390 0.0000 0.0000 52163.1475 -110033.8720 299.7823 -162197.0195 -109678.5545 298.5886 -123.7990 -98.9044 759354.4301 16.8125 16.9981 PRESSURE: 751400 -215.53 94.0607 37.3754 94.0609 264.215 -8.19213 37.3745 -8.19231 653.451 GPRESSURE: 751400 -19.5304 114.156 24.328 192.147 261.749 64.5019 39.3723 -35.7231 537.77 PRESSAVG: 751400 32.3992 -1.31507 -12.671 -1.31508 -35.4126 29.6399 -12.671 29.6399 19.96 GPRESSAVG: 751400 34.2102 -2.81443 -12.9923 -0.592808 -35.8653 30.7697 -11.3547 27.2678 18.3905 TIMING: 751400 CPU: 2363.38, 0.00308723/step Wall: 2363.38, 0.00308723/step, 3.64345 hours remaining, 234.558594 MB of memory in use. ENERGY: 751400 3990.3797 20453.5370 14613.6880 255.1766 -204119.9563 2895.5496 0.0000 0.0000 51985.0883 -109926.5370 298.7590 -161911.6253 -109574.8179 298.7336 234.0452 259.9960 760189.5593 5.6489 5.5785 PRESSURE: 751600 -198.452 -500.688 -127.665 -500.688 276.861 7.57914 -127.665 7.57795 279.728 GPRESSURE: 751600 -56.913 -404.7 -125.3 -374.354 157.561 30.6838 -27.8157 7.23419 352.261 PRESSAVG: 751600 20.5692 -36.5095 15.125 -36.5094 -14.3749 29.1638 15.1251 29.1638 6.52625 GPRESSAVG: 751600 21.5999 -34.3505 15.4003 -37.8507 -15.4147 28.3702 12.0534 30.1054 6.98333 TIMING: 751600 CPU: 2364.01, 0.00311146/step Wall: 2364.01, 0.00311146/step, 3.67187 hours remaining, 234.558594 MB of memory in use. ENERGY: 751600 3870.1063 20630.7878 14414.5796 245.2921 -204099.3754 2975.1682 0.0000 0.0000 51964.3492 -109999.0923 298.6398 -161963.4415 -109629.7014 298.5934 119.3791 150.9697 760763.2384 4.2402 4.3895 PRESSURE: 751800 121.176 -100.858 -102.035 -100.858 216.721 76.5564 -102.037 76.5557 439.221 GPRESSURE: 751800 151.926 -144.495 39.1118 -90.4103 276.449 150.515 -207.924 13.6497 425.464 PRESSAVG: 751800 -69.1181 -50.3997 -49.5099 -50.3997 79.4579 52.7399 -49.5099 52.7399 20.0955 GPRESSAVG: 751800 -70.0253 -51.5331 -49.7608 -48.9684 79.9663 52.5564 -49.0713 54.4333 20.7321 TIMING: 751800 CPU: 2364.63, 0.00312152/step Wall: 2364.63, 0.00312152/step, 3.68356 hours remaining, 234.558594 MB of memory in use. ENERGY: 751800 3926.0283 20461.5451 14445.7184 235.6599 -204072.2032 3100.5617 0.0000 0.0000 51985.7392 -109916.9504 298.7628 -161902.6896 -109567.4973 298.8829 259.0391 284.6130 761450.9283 10.1451 10.2244 PRESSURE: 752000 -188.104 -39.1166 38.3141 -39.1167 -136.921 294.017 38.3148 294.016 -181.556 GPRESSURE: 752000 -167.567 -96.3771 -77.3161 -20.8434 -75.0398 211.841 80.317 254.021 -173.397 PRESSAVG: 752000 -1.0832 20.9548 -32.2623 20.9548 24.2846 38.8237 -32.2624 38.8236 6.69687 GPRESSAVG: 752000 -1.74378 22.5141 -31.3068 20.319 24.8268 39.3018 -31.5254 36.7239 6.88338 TIMING: 752000 CPU: 2365.26, 0.00314759/step Wall: 2365.26, 0.00314759/step, 3.71416 hours remaining, 234.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 752000 3998.7922 20645.0071 14432.0454 264.5903 -203369.9802 2415.3017 0.0000 0.0000 52099.0497 -109515.1939 299.4140 -161614.2436 -109157.5409 299.2100 -168.8606 -138.6679 762595.2036 9.9661 9.9888 PRESSURE: 752200 191.912 -44.7103 20.3649 -44.7107 -88.3905 -203.737 20.3654 -203.738 -542.377 GPRESSURE: 752200 135.566 -37.9202 53.4075 5.29601 21.5188 -114.564 102.663 -218.922 -507.896 PRESSAVG: 752200 -3.85575 6.14972 -27.1877 6.14973 -49.1203 28.895 -27.1877 28.895 -5.55111 GPRESSAVG: 752200 -3.15383 5.82714 -27.8518 5.42134 -48.8768 30.5188 -26.1475 28.583 -5.83838 TIMING: 752200 CPU: 2365.89, 0.00313804/step Wall: 2365.89, 0.00313804/step, 3.70272 hours remaining, 234.558594 MB of memory in use. ENERGY: 752200 4041.9338 20446.2807 14465.8434 224.0610 -203531.8192 2481.5257 0.0000 0.0000 52074.9550 -109797.2195 299.2755 -161872.1746 -109440.8769 299.1738 -146.2854 -116.9372 760193.5820 -19.5091 -19.2897 LDB: ============= START OF LOAD BALANCING ============== 2378.28 LDB: ============== END OF LOAD BALANCING =============== 2378.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2378.29 LDB: ============= START OF LOAD BALANCING ============== 2378.6 LDB: Largest compute 7077 load 0.033673 is 17.2% of average load 0.195741 LDB: Average compute 0.004385 is 2.2% of average load 0.195741 LDB: TIME 2378.6 LOAD: AVG 0.195741 MAX 0.217476 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.324 MB LDB: TIME 2378.6 LOAD: AVG 0.195741 MAX 0.217476 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: TIME 2378.6 LOAD: AVG 0.195741 MAX 0.217476 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: ============== END OF LOAD BALANCING =============== 2378.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2378.61 PRESSURE: 752400 -172.748 -25.8842 59.5248 -25.8835 -50.9317 63.7746 59.5259 63.7744 440.223 GPRESSURE: 752400 -69.5934 40.6603 72.3312 -57.0837 71.1963 125.679 60.9296 61.9521 299.912 PRESSAVG: 752400 45.6476 23.3179 12.4903 23.3179 -26.9567 -8.86728 12.4903 -8.86729 8.19525 GPRESSAVG: 752400 45.5684 22.473 12.4379 23.9013 -27.7093 -10.3157 13.4886 -8.54528 8.51456 TIMING: 752400 CPU: 2366.53, 0.00319753/step Wall: 2366.53, 0.00319753/step, 3.77273 hours remaining, 233.812500 MB of memory in use. ENERGY: 752400 4013.2690 20604.3303 14473.4525 240.6737 -203855.1594 2799.1165 0.0000 0.0000 52169.7017 -109554.6158 299.8200 -161724.3175 -109198.8997 299.1688 72.1812 100.5049 761143.0654 8.9621 8.7912 PRESSURE: 752600 -279.715 77.8605 -185.033 77.8611 -433.087 -87.2707 -185.032 -87.2694 223.831 GPRESSURE: 752600 -238.368 27.1643 -37.5036 147.494 -422.433 -147.733 -184.391 9.82473 250.054 PRESSAVG: 752600 32.8281 -65.4011 -24.8599 -65.4011 -31.8499 44.3364 -24.8599 44.3364 -6.03982 GPRESSAVG: 752600 34.1804 -65.7167 -23.2611 -64.7736 -32.1705 44.966 -26.5212 47.1512 -7.26656 TIMING: 752600 CPU: 2367.15, 0.00313343/step Wall: 2367.15, 0.00313343/step, 3.69692 hours remaining, 233.867188 MB of memory in use. ENERGY: 752600 4018.4557 20609.1577 14476.3171 251.6441 -203417.9982 2326.1144 0.0000 0.0000 52054.5857 -109681.7235 299.1584 -161736.3093 -109325.1842 299.5212 -162.9902 -136.9158 761555.1680 -1.6872 -1.7522 PRESSURE: 752800 275.67 44.9175 70.2917 44.9173 68.7518 -35.584 70.2911 -35.5839 440.972 GPRESSURE: 752800 318.902 -12.118 156.015 104.668 79.0408 -119.601 -51.1419 4.06299 483.411 PRESSAVG: 752800 -24.4412 -14.6836 -21.5249 -14.6836 0.390961 27.9576 -21.5249 27.9575 10.6841 GPRESSAVG: 752800 -25.2835 -14.868 -22.342 -14.7627 -0.112055 30.6018 -23.5375 26.0956 12.3184 TIMING: 752800 CPU: 2367.78, 0.00314217/step Wall: 2367.78, 0.00314217/step, 3.70706 hours remaining, 233.867188 MB of memory in use. ENERGY: 752800 3937.5972 20553.8170 14445.6297 257.9716 -203793.0194 2814.8135 0.0000 0.0000 51959.7420 -109823.4484 298.6134 -161783.1905 -109457.0093 299.7706 261.7978 293.7844 760364.0929 -4.4554 -4.3591 PRESSURE: 753000 402.381 -87.7771 238.765 -87.7762 329.544 61.8324 238.765 61.8307 -88.7196 GPRESSURE: 753000 349.101 -26.2332 239.578 -57.2934 358.991 10.2928 286.817 195.566 9.22261 PRESSAVG: 753000 13.2049 42.068 13.5868 42.068 23.9301 48.2418 13.5869 48.2418 -16.791 GPRESSAVG: 753000 13.4774 42.7923 13.7693 44.0944 24.2319 43.8732 16.5976 48.1503 -17.43 TIMING: 753000 CPU: 2368.41, 0.00313873/step Wall: 2368.41, 0.00313873/step, 3.70283 hours remaining, 233.882812 MB of memory in use. ENERGY: 753000 3903.1504 20599.3176 14433.0835 244.0148 -203530.0091 2639.3499 0.0000 0.0000 52171.0282 -109540.0648 299.8276 -161711.0930 -109190.8385 299.0950 214.4019 239.1048 760983.6415 6.7813 6.7597 PRESSURE: 753200 307.783 -81.2387 177.999 -81.2391 115.774 46.8263 177.999 46.8262 98.2927 GPRESSURE: 753200 365.987 -8.55376 64.1906 -58.8696 151.512 48.8773 188.87 58.1082 80.5751 PRESSAVG: 753200 66.4756 11.3439 11.3365 11.3438 -53.1724 13.9212 11.3365 13.9212 22.2324 GPRESSAVG: 753200 66.1839 13.0255 10.2124 8.71551 -53.0174 15.8277 11.3792 12.6998 22.6082 TIMING: 753200 CPU: 2369.04, 0.00313658/step Wall: 2369.04, 0.00313658/step, 3.70011 hours remaining, 233.882812 MB of memory in use. ENERGY: 753200 3926.3909 20539.7337 14388.8431 251.4546 -203541.0545 2654.8945 0.0000 0.0000 52025.5175 -109754.2202 298.9914 -161779.7376 -109383.4924 299.4247 173.9500 199.3580 760099.2347 11.8452 11.9249 PRESSURE: 753400 -308.008 -51.9449 -252.24 -51.9451 95.8861 -273.238 -252.241 -273.239 -240.988 GPRESSURE: 753400 -314.175 -56.683 -213.176 -50.8881 163.401 -264.996 -255.267 -138.179 -217.331 PRESSAVG: 753400 25.8535 0.748306 -24.4603 0.748305 -26.0555 -62.298 -24.4603 -62.298 -11.5261 GPRESSAVG: 753400 25.6156 -0.697398 -23.5902 0.667419 -25.8343 -61.4242 -24.7895 -60.3667 -11.5084 TIMING: 753400 CPU: 2369.66, 0.0031207/step Wall: 2369.66, 0.0031207/step, 3.68121 hours remaining, 233.882812 MB of memory in use. ENERGY: 753400 4065.4159 20478.4981 14448.7757 243.6419 -203470.3881 2422.9722 0.0000 0.0000 52049.3415 -109761.7427 299.1283 -161811.0842 -109413.8418 299.0724 -151.0367 -122.7016 758574.9883 -3.9094 -3.9090 PRESSURE: 753600 -135.143 -96.7158 -377.215 -96.7155 188.964 101.409 -377.214 101.407 -4.30715 GPRESSURE: 753600 -59.188 -19.431 -324.509 -158.533 214.997 40.803 -322.746 60.9997 -34.2558 PRESSAVG: 753600 -74.2896 -55.3498 -8.71697 -55.3498 71.8893 15.6819 -8.71702 15.6819 -11.1111 GPRESSAVG: 753600 -73.4029 -53.8179 -9.17905 -55.3783 71.2438 14.4916 -8.36666 14.2465 -10.7599 TIMING: 753600 CPU: 2370.29, 0.00312965/step Wall: 2370.29, 0.00312965/step, 3.69159 hours remaining, 233.882812 MB of memory in use. ENERGY: 753600 4021.4830 20429.8207 14455.5397 222.0333 -203566.7618 2686.3004 0.0000 0.0000 51913.9680 -109837.6167 298.3503 -161751.5846 -109489.2948 298.9474 16.5047 40.5177 760247.6057 -4.5038 -4.3063 PRESSURE: 753800 218.476 -23.0318 73.1163 -23.0324 -161.774 26.8521 73.1171 26.8515 -130.436 GPRESSURE: 753800 263.568 -111.417 115.678 32.805 -134.474 6.54463 174.266 30.2796 -129.028 PRESSAVG: 753800 -69.5445 11.2231 57.9583 11.2231 61.7031 36.8209 57.9583 36.8208 15.4582 GPRESSAVG: 753800 -71.7625 9.51303 57.6622 14.1273 64.4637 36.8097 58.0683 39.0154 15.2173 TIMING: 753800 CPU: 2370.91, 0.00311365/step Wall: 2370.91, 0.00311365/step, 3.67255 hours remaining, 233.882812 MB of memory in use. ENERGY: 753800 4008.7618 20559.2313 14443.0554 270.9113 -203243.3987 2566.0301 0.0000 0.0000 51760.5105 -109634.8984 297.4684 -161395.4089 -109281.9396 298.7460 -24.5782 0.0222 761142.2165 2.5389 2.6395 PRESSURE: 754000 -96.6141 9.73799 68.4715 9.73731 -84.6575 -80.1408 68.4727 -80.1405 215.707 GPRESSURE: 754000 -90.1092 7.23349 32.4483 40.7629 -74.593 -57.5468 -9.58498 -145.936 286.148 PRESSAVG: 754000 -2.65645 34.766 36.6386 34.766 19.7808 0.776214 36.6386 0.776189 2.85672 GPRESSAVG: 754000 -1.03679 35.7907 36.5821 34.0213 16.4126 -0.270353 37.1804 -0.785168 3.8246 TIMING: 754000 CPU: 2371.54, 0.00314573/step Wall: 2371.54, 0.00314573/step, 3.71021 hours remaining, 233.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 754000 3992.6588 20497.9754 14437.5675 234.8806 -203181.2327 2251.6432 0.0000 0.0000 52064.4975 -109702.0096 299.2154 -161766.5071 -109335.2396 298.9721 11.4785 40.4820 760314.2818 6.6603 6.4001 PRESSURE: 754200 -122.862 -160.159 -15.6392 -160.16 -170.819 101.356 -15.6391 101.356 -407.48 GPRESSURE: 754200 -151.378 -63.3051 -59.9277 -227.733 -98.1313 101.82 81.1137 132.519 -372.346 PRESSAVG: 754200 44.4173 2.87891 20.5586 2.87896 -47.2955 34.9026 20.5586 34.9026 6.29633 GPRESSAVG: 754200 43.6765 2.99089 21.1633 1.89693 -45.9304 35.4951 19.9155 36.2915 5.63621 TIMING: 754200 CPU: 2372.17, 0.00314125/step Wall: 2372.17, 0.00314125/step, 3.70475 hours remaining, 233.882812 MB of memory in use. ENERGY: 754200 4030.5195 20352.7848 14437.5832 252.8637 -203326.3319 2321.2702 0.0000 0.0000 52233.1189 -109698.1917 300.1845 -161931.3105 -109334.2097 298.8959 -233.7202 -207.2851 761661.7674 1.1394 1.1274 PRESSURE: 754400 57.7018 -37.6875 263.347 -37.6879 -333.199 -68.3846 263.348 -68.3845 -411.524 GPRESSURE: 754400 67.5943 -45.7282 250.151 -131.801 -236.738 17.5561 121.329 -125.259 -400.516 PRESSAVG: 754400 -2.71789 -21.3901 48.3189 -21.39 -19.5591 96.293 48.3189 96.293 6.86371 GPRESSAVG: 754400 -1.97482 -22.1631 48.4188 -22.6049 -19.4888 97.188 49.1838 94.3483 6.38437 TIMING: 754400 CPU: 2372.79, 0.00313564/step Wall: 2372.79, 0.00313564/step, 3.69797 hours remaining, 233.882812 MB of memory in use. ENERGY: 754400 3992.7017 20523.9055 14544.6606 229.8901 -203747.1577 2895.0115 0.0000 0.0000 51853.4712 -109707.5171 298.0026 -161560.9883 -109350.3742 299.3183 -229.0071 -189.8866 761955.7281 -5.1378 -5.0264 PRESSURE: 754600 -2.96375 50.3439 -253.458 50.3444 -101.912 62.3064 -253.457 62.3075 2.78811 GPRESSURE: 754600 33.4079 49.9213 -219.945 98.4292 -9.12033 42.5865 -349.998 -28.3973 -28.8817 PRESSAVG: 754600 14.0143 40.3739 7.06197 40.3739 -21.5335 64.2753 7.062 64.2753 -24.6863 GPRESSAVG: 754600 14.1013 42.3057 5.66924 40.6117 -21.0096 64.5909 4.6791 64.8648 -25.4885 TIMING: 754600 CPU: 2373.42, 0.00313296/step Wall: 2373.42, 0.00313296/step, 3.69463 hours remaining, 233.882812 MB of memory in use. ENERGY: 754600 4028.1065 20368.0522 14442.5717 264.5702 -203557.7016 2599.3308 0.0000 0.0000 52146.6585 -109708.4118 299.6876 -161855.0703 -109351.6663 298.5998 -34.0291 -1.5314 760669.9095 -10.7351 -10.7990 PRESSURE: 754800 117.619 131.886 -205.741 131.886 -201.504 42.3943 -205.742 42.3938 27.777 GPRESSURE: 754800 167.926 154.04 -230.06 111.105 -222.812 4.36256 -272.791 36.7907 74.1712 PRESSAVG: 754800 45.9238 22.1522 31.8494 22.1522 -26.0496 5.76025 31.8494 5.76022 -5.48625 GPRESSAVG: 754800 43.5466 21.4044 31.6507 22.0785 -25.4954 4.36861 35.5113 5.8354 -4.22012 TIMING: 754800 CPU: 2374.05, 0.00313744/step Wall: 2374.05, 0.00313744/step, 3.69974 hours remaining, 233.882812 MB of memory in use. ENERGY: 754800 3943.9298 20448.3398 14501.7868 235.4652 -203445.3405 2690.0731 0.0000 0.0000 51950.9831 -109674.7627 298.5630 -161625.7458 -109311.3595 298.9303 -18.7029 6.4285 760313.8699 4.7960 4.6103 PRESSURE: 755000 -335.593 -73.2894 275.201 -73.2893 21.8397 105.212 275.2 105.213 -55.326 GPRESSURE: 755000 -297.264 33.3509 272.497 -69.2828 46.8063 142.72 280.343 -26.4443 -30.0483 PRESSAVG: 755000 5.88952 19.0649 20.2595 19.065 15.6119 -15.2622 20.2595 -15.2622 -13.7828 GPRESSAVG: 755000 7.74238 21.6415 21.2308 19.0949 14.1456 -13.5545 16.388 -16.3552 -14.3179 TIMING: 755000 CPU: 2374.67, 0.00312153/step Wall: 2374.67, 0.00312153/step, 3.68081 hours remaining, 233.882812 MB of memory in use. ENERGY: 755000 3989.2194 20489.0174 14382.4581 244.4758 -203592.4691 2692.6129 0.0000 0.0000 52132.1771 -109662.5084 299.6043 -161794.6856 -109293.8250 299.1739 -123.0263 -93.5021 761875.6820 2.5729 2.5234 PRESSURE: 755200 -163.052 73.8124 282.4 73.8128 195.953 -5.48967 282.399 -5.48882 -36.1186 GPRESSURE: 755200 -12.7236 -58.7415 229.508 -60.7518 115.778 8.30587 384.029 -18.8134 -26.0185 PRESSAVG: 755200 -21.324 -41.287 88.5906 -41.2871 30.4925 62.9748 88.5905 62.9748 1.4501 GPRESSAVG: 755200 -21.9221 -45.0654 88.0302 -40.8392 29.3075 63.8226 90.1625 63.2306 3.10797 TIMING: 755200 CPU: 2375.3, 0.00314104/step Wall: 2375.3, 0.00314104/step, 3.70363 hours remaining, 233.882812 MB of memory in use. ENERGY: 755200 3982.1841 20444.1462 14429.1712 230.7304 -203225.0058 2593.9332 0.0000 0.0000 52038.1592 -109506.6814 299.0640 -161544.8407 -109151.3262 298.9224 -1.0726 25.6785 760098.7087 3.5396 3.4978 PRESSURE: 755400 -50.8537 -14.8259 -81.0591 -14.8254 -8.28205 -171.942 -81.0579 -171.941 -244.84 GPRESSURE: 755400 -83.4288 105.092 -92.1404 -176.522 85.7318 -131.172 -40.0078 -103.062 -217.437 PRESSAVG: 755400 0.742027 -25.7078 -16.7478 -25.7077 14.1459 6.83171 -16.7478 6.8317 41.0122 GPRESSAVG: 755400 1.341 -22.6114 -16.48 -27.1474 14.6661 4.93134 -16.9309 7.10589 40.0087 TIMING: 755400 CPU: 2375.93, 0.0031239/step Wall: 2375.93, 0.0031239/step, 3.68326 hours remaining, 233.882812 MB of memory in use. ENERGY: 755400 3983.9098 20555.9950 14495.5897 259.8615 -203408.5424 2571.8193 0.0000 0.0000 52090.0363 -109451.3307 299.3622 -161541.3670 -109087.1918 299.4248 -101.3251 -71.7112 761985.6507 18.6334 18.6719 PRESSURE: 755600 156.331 63.4151 -51.6447 63.4153 -305.188 -42.357 -51.6451 -42.3563 -228.423 GPRESSURE: 755600 105.462 -1.87882 -80.9733 81.707 -177.744 -23.1464 -185.31 -3.27491 -204.668 PRESSAVG: 755600 8.77966 -58.3638 -19.6279 -58.3638 -9.36706 25.9361 -19.628 25.9361 -18.8787 GPRESSAVG: 755600 7.51156 -59.565 -18.6642 -57.3458 -8.16043 26.4376 -20.9112 25.2657 -18.9815 TIMING: 755600 CPU: 2376.55, 0.00312738/step Wall: 2376.55, 0.00312738/step, 3.68718 hours remaining, 233.882812 MB of memory in use. ENERGY: 755600 3986.3310 20469.6195 14482.2945 252.8741 -202962.9874 2296.8027 0.0000 0.0000 52029.2628 -109445.8027 299.0129 -161475.0656 -109088.7432 299.2154 -125.7602 -92.3168 761685.2102 -6.4887 -6.5434 PRESSURE: 755800 141.98 93.8905 -150.124 93.8905 -149.342 118.091 -150.124 118.09 388.177 GPRESSURE: 755800 224.311 1.15517 -176.852 67.0147 -67.7343 116.208 -99.8889 -29.5607 326.09 PRESSAVG: 755800 33.6172 -1.4412 -7.81709 -1.44122 -17.4725 4.16979 -7.81708 4.1698 46.6451 GPRESSAVG: 755800 35.118 -2.07432 -8.21073 -0.944315 -18.1712 3.82453 -7.56749 5.62531 45.6182 TIMING: 755800 CPU: 2377.18, 0.00314125/step Wall: 2377.18, 0.00314125/step, 3.70336 hours remaining, 233.882812 MB of memory in use. ENERGY: 755800 3929.8969 20491.0467 14557.8482 247.1376 -203569.2787 2763.6156 0.0000 0.0000 52010.3584 -109569.3753 298.9042 -161579.7337 -109214.6205 299.6502 126.9384 160.8891 761348.4255 20.9299 20.8550 PRESSURE: 756000 -137.456 -16.3083 33.0277 -16.3073 10.3406 -54.3013 33.0267 -54.3016 -170.631 GPRESSURE: 756000 -90.9068 -23.5445 22.2752 -35.1727 7.50449 -84.9933 -35.7667 -58.5909 -151.312 PRESSAVG: 756000 4.28883 6.08716 25.7749 6.08713 -8.29927 32.5425 25.7748 32.5425 -0.378035 GPRESSAVG: 756000 3.24859 2.72466 24.8415 8.10976 -8.46115 31.4959 26.096 30.8858 0.512194 TIMING: 756000 CPU: 2377.81, 0.00313642/step Wall: 2377.81, 0.00313642/step, 3.69749 hours remaining, 233.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 756000 3949.7642 20576.4864 14457.7668 252.3554 -203445.4262 2516.0234 0.0000 0.0000 52071.2084 -109621.8216 299.2540 -161693.0300 -109264.9277 298.9684 -99.2487 -78.2380 762521.9436 -1.4628 -1.5668 PRESSURE: 756200 94.4493 -4.98197 160.721 -4.9816 -19.8169 169.703 160.721 169.702 7.35428 GPRESSURE: 756200 65.5731 79.6282 135.047 -52.9427 114.639 81.7522 152.16 195.853 -38.1719 PRESSAVG: 756200 -9.99999 -51.8681 8.79191 -51.8682 -39.9235 35.2445 8.79192 35.2444 5.53428 GPRESSAVG: 756200 -9.52673 -48.7914 10.1231 -54.426 -39.5023 35.7939 7.37295 35.5785 4.681 TIMING: 756200 CPU: 2378.43, 0.00312155/step Wall: 2378.43, 0.00312155/step, 3.67978 hours remaining, 233.882812 MB of memory in use. ENERGY: 756200 3887.8634 20524.6978 14493.4552 232.9310 -203314.4244 2537.9178 0.0000 0.0000 52350.1674 -109287.3918 300.8571 -161637.5592 -108923.9369 299.4491 27.3289 47.3466 761097.6290 -14.7964 -14.7827 LDB: ============= START OF LOAD BALANCING ============== 2390.83 LDB: ============== END OF LOAD BALANCING =============== 2390.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2390.83 LDB: ============= START OF LOAD BALANCING ============== 2391.15 LDB: Largest compute 7077 load 0.034512 is 17.6% of average load 0.195740 LDB: Average compute 0.004418 is 2.3% of average load 0.195740 LDB: TIME 2391.15 LOAD: AVG 0.19574 MAX 0.213446 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.191 MB LDB: TIME 2391.15 LOAD: AVG 0.19574 MAX 0.213446 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: TIME 2391.15 LOAD: AVG 0.19574 MAX 0.213446 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: ============== END OF LOAD BALANCING =============== 2391.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2391.16 PRESSURE: 756400 -128.755 49.0696 156.446 49.0692 -226.089 35.0414 156.446 35.0416 66.2496 GPRESSURE: 756400 -107.881 51.8737 160.498 -19.2782 -68.8245 -8.80494 104.727 71.7144 -38.1484 PRESSAVG: 756400 42.8113 8.08118 38.0169 8.08121 -43.9359 15.648 38.017 15.648 0.632235 GPRESSAVG: 756400 41.2834 9.13952 36.5785 8.7634 -41.4656 16.2924 40.2664 14.1574 0.12368 TIMING: 756400 CPU: 2379.07, 0.00321352/step Wall: 2379.07, 0.00321352/step, 3.78803 hours remaining, 233.312500 MB of memory in use. ENERGY: 756400 3920.6026 20450.4168 14469.4037 244.9724 -202856.9550 2064.6475 0.0000 0.0000 52137.1310 -109569.7810 299.6328 -161706.9120 -109200.0111 299.7530 -96.1982 -71.6180 761535.4538 -0.1641 -0.0195 PRESSURE: 756600 212.252 -144.103 -49.559 -144.103 109.12 -191.33 -49.5603 -191.33 -211.181 GPRESSURE: 756600 160.307 -196.584 -5.2567 -154.366 180.131 -203.61 15.8486 -135.676 -144.419 PRESSAVG: 756600 21.6931 -8.55144 32.5844 -8.55148 -25.5328 36.1604 32.5843 36.1604 0.750616 GPRESSAVG: 756600 23.5449 -9.54336 31.8805 -9.70261 -27.754 37.109 33.1722 36.5071 1.37293 TIMING: 756600 CPU: 2379.7, 0.00314129/step Wall: 2379.7, 0.00314129/step, 3.70271 hours remaining, 233.312500 MB of memory in use. ENERGY: 756600 3904.0999 20374.3386 14469.7133 254.1967 -203420.7015 2595.9481 0.0000 0.0000 52084.0960 -109738.3089 299.3280 -161822.4049 -109370.9479 299.2145 36.7301 65.3394 759203.4853 -1.0297 -0.9454 PRESSURE: 756800 131.864 -253.157 -65.6192 -253.157 29.409 -197.657 -65.6198 -197.657 -248.636 GPRESSURE: 756800 133.958 -99.1244 -36.5922 -209.677 45.975 -193.945 19.0546 -63.9388 -181.6 PRESSAVG: 756800 -33.1084 -58.043 -26.4962 -58.0429 -10.7512 -45.8977 -26.4962 -45.8978 -24.7898 GPRESSAVG: 756800 -32.9682 -58.4515 -26.1013 -56.5693 -10.8388 -46.4734 -27.6417 -42.8261 -25.0357 TIMING: 756800 CPU: 2380.33, 0.00313214/step Wall: 2380.33, 0.00313214/step, 3.69175 hours remaining, 233.312500 MB of memory in use. ENERGY: 756800 3941.9509 20323.2651 14571.7672 251.0403 -203428.7986 2437.3139 0.0000 0.0000 52051.6410 -109851.8203 299.1415 -161903.4613 -109490.8721 298.8113 -29.1212 -0.5557 760011.0378 -22.8831 -22.9476 PRESSURE: 757000 42.8359 -81.5371 -301.036 -81.5373 -241.391 189.446 -301.036 189.446 126.256 GPRESSURE: 757000 77.1111 46.9481 -183.257 -41.5146 -155.732 102.714 -197.842 246.508 72.4602 PRESSAVG: 757000 2.02749 -10.8035 -6.45615 -10.8035 10.4807 -76.5345 -6.4561 -76.5344 -2.21898 GPRESSAVG: 757000 1.1492 -10.6856 -5.35636 -11.1793 10.5561 -76.1498 -7.17041 -76.4255 -1.52371 TIMING: 757000 CPU: 2380.95, 0.0031299/step Wall: 2380.95, 0.0031299/step, 3.68893 hours remaining, 233.312500 MB of memory in use. ENERGY: 757000 3966.3273 20626.4556 14394.0874 235.5777 -203576.2284 2530.3382 0.0000 0.0000 51941.0213 -109882.4208 298.5058 -161823.4421 -109525.3331 298.5162 -24.0997 -2.0534 760127.7436 3.4297 3.3939 PRESSURE: 757200 -52.0933 -172.618 -174.619 -172.618 -294.559 60.597 -174.619 60.5988 -21.6801 GPRESSURE: 757200 -84.0608 -145.828 -103.789 -250.689 -187.021 32.3817 -199.828 10.3024 -29.7707 PRESSAVG: 757200 -19.3938 -21.0525 0.297808 -21.0525 6.67313 12.2454 0.29786 12.2454 -2.96628 GPRESSAVG: 757200 -18.5048 -21.1098 -2.79494 -21.6099 6.39317 12.2549 0.328618 11.9109 -4.04599 TIMING: 757200 CPU: 2381.59, 0.0031512/step Wall: 2381.59, 0.0031512/step, 3.71386 hours remaining, 233.312500 MB of memory in use. ENERGY: 757200 4008.8521 20573.8613 14537.9934 262.2601 -203418.1148 2351.5169 0.0000 0.0000 51947.8649 -109735.7660 298.5451 -161683.6309 -109383.6852 298.6918 -122.7773 -100.2843 762105.3467 -5.2290 -5.3859 PRESSURE: 757400 194.63 -198.513 41.0294 -198.512 -224.36 1.69001 41.0283 1.68948 102.983 GPRESSURE: 757400 189.355 -214.928 146.023 -154.152 -176.903 65.2899 71.0009 9.03007 149.319 PRESSAVG: 757400 17.8741 -39.2636 46.0974 -39.2636 -12.4371 -18.0514 46.0973 -18.0513 -0.504644 GPRESSAVG: 757400 16.0656 -39.6665 47.9998 -40.9416 -12.8121 -17.8674 49.0714 -19.0669 0.995888 TIMING: 757400 CPU: 2382.22, 0.0031552/step Wall: 2382.22, 0.0031552/step, 3.7184 hours remaining, 233.312500 MB of memory in use. ENERGY: 757400 4066.6229 20354.5431 14446.1242 235.2763 -203186.7008 2535.7564 0.0000 0.0000 51947.2827 -109601.0952 298.5417 -161548.3779 -109243.6105 298.7871 24.4179 53.9234 760458.6115 1.6441 1.4165 PRESSURE: 757600 -260.983 -112.898 230.973 -112.898 -557.567 -1.84277 230.973 -1.84172 -1.1305 GPRESSURE: 757600 -245.149 -248.989 161.17 -49.6994 -509.718 88.0192 84.2177 -57.6045 36.7052 PRESSAVG: 757600 36.5445 -5.13213 1.79805 -5.13211 -22.5606 -25.6995 1.798 -25.6996 6.16704 GPRESSAVG: 757600 36.7322 -7.02215 3.8652 -2.02623 -21.4126 -25.6012 -1.11252 -25.4553 4.967 TIMING: 757600 CPU: 2382.84, 0.00314245/step Wall: 2382.84, 0.00314245/step, 3.70321 hours remaining, 233.312500 MB of memory in use. ENERGY: 757600 3986.7673 20504.0685 14468.1255 245.4475 -202974.2011 2246.3484 0.0000 0.0000 52087.8451 -109435.5988 299.3496 -161523.4439 -109082.7223 299.1318 -273.2266 -239.3873 760915.9066 6.7170 6.7622 PRESSURE: 757800 -108.18 -68.5495 15.0947 -68.5496 224.188 119.134 15.094 119.134 178.084 GPRESSURE: 757800 53.3965 -106.816 3.8334 17.5166 144.97 170.489 -63.6637 101.075 190.868 PRESSAVG: 757800 42.3101 -21.8398 26.6164 -21.8398 -10.4411 6.52691 26.6164 6.52689 6.90798 GPRESSAVG: 757800 42.8128 -19.7219 24.6937 -22.4662 -10.5195 4.36796 27.8438 8.4257 6.83511 TIMING: 757800 CPU: 2383.47, 0.00314252/step Wall: 2383.47, 0.00314252/step, 3.70311 hours remaining, 233.312500 MB of memory in use. ENERGY: 757800 3933.8783 20317.2789 14394.0809 246.1922 -203299.1236 2647.4926 0.0000 0.0000 52060.6428 -109699.5578 299.1932 -161760.2006 -109335.1616 298.9535 98.0308 129.7448 759249.1851 12.9256 13.0428 PRESSURE: 758000 -317.945 -103.795 -45.3569 -103.796 125.241 -38.1195 -45.3569 -38.1208 -380.64 GPRESSURE: 758000 -292.085 -115.886 -0.112438 -51.0663 125.983 -86.9978 16.5915 79.8649 -310.56 PRESSAVG: 758000 42.2509 -65.0048 14.2032 -65.0048 -34.1186 -51.0445 14.2032 -51.0445 12.7146 GPRESSAVG: 758000 42.1792 -65.0696 15.6634 -63.4964 -35.4498 -48.1644 12.2047 -52.5478 13.5327 TIMING: 758000 CPU: 2384.1, 0.00314052/step Wall: 2384.1, 0.00314052/step, 3.70058 hours remaining, 233.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 758000 3973.8563 20319.8941 14478.3878 235.2713 -203551.7124 2519.9703 0.0000 0.0000 52321.5387 -109702.7939 300.6926 -162024.3326 -109337.6763 298.6762 -191.1145 -158.8872 758896.3784 6.9490 6.7540 PRESSURE: 758200 317.254 -120.262 -25.3502 -120.262 -120.008 -261.912 -25.349 -261.912 374.781 GPRESSURE: 758200 258.168 -167.732 26.0451 -130.792 13.8778 -241.076 104.526 -77.2869 379.231 PRESSAVG: 758200 -20.0973 -52.9112 17.5978 -52.9112 11.736 69.1038 17.5979 69.1038 12.0964 GPRESSAVG: 758200 -20.4716 -52.3702 17.6796 -56.1834 11.6719 68.9574 18.2659 68.07 12.0233 TIMING: 758200 CPU: 2384.73, 0.00314689/step Wall: 2384.73, 0.00314688/step, 3.7079 hours remaining, 233.312500 MB of memory in use. ENERGY: 758200 3892.0160 20425.8549 14502.2373 249.5989 -203348.3582 2617.8800 0.0000 0.0000 52032.7233 -109628.0477 299.0328 -161660.7710 -109258.1953 298.6084 190.6756 217.0924 760552.1381 1.2450 1.0745 PRESSURE: 758400 -38.0396 24.1603 -179.581 24.1605 -211.331 398.051 -179.58 398.051 -15.1845 GPRESSURE: 758400 -53.0971 24.7293 -147.709 -37.4746 -106.331 386.346 -71.4788 261.076 -19.3865 PRESSAVG: 758400 53.052 -31.4565 28.6463 -31.4564 -29.665 4.67705 28.6462 4.67701 -3.18536 GPRESSAVG: 758400 51.7531 -32.7895 27.279 -30.6822 -28.0937 2.67961 29.6416 7.05921 -3.88166 TIMING: 758400 CPU: 2385.36, 0.00314825/step Wall: 2385.36, 0.00314825/step, 3.70934 hours remaining, 233.312500 MB of memory in use. ENERGY: 758400 3940.9729 20418.7266 14499.4356 232.3758 -203582.8284 2706.1815 0.0000 0.0000 52178.0166 -109607.1194 299.8678 -161785.1360 -109239.5822 299.1453 -88.1851 -59.6049 761507.7165 6.7339 6.5926 PRESSURE: 758600 -146.029 53.9288 -55.2844 53.9285 -39.087 6.7308 -55.2843 6.73183 -345.294 GPRESSURE: 758600 -83.5701 93.7971 0.125193 -51.8822 -17.9412 88.4401 -80.6015 -11.1423 -337.03 PRESSAVG: 758600 21.0578 -32.7837 15.8293 -32.7838 -27.4488 23.0683 15.8292 23.0684 -36.3627 GPRESSAVG: 758600 21.6514 -29.6268 17.1378 -32.4492 -27.9862 23.6781 14.0706 21.6824 -35.6728 TIMING: 758600 CPU: 2385.99, 0.00314667/step Wall: 2385.99, 0.00314667/step, 3.7073 hours remaining, 233.312500 MB of memory in use. ENERGY: 758600 3985.2968 20633.0981 14479.6829 253.6995 -203742.0977 2688.3961 0.0000 0.0000 52216.1612 -109485.7630 300.0870 -161701.9242 -109124.7399 299.6008 -176.8035 -146.1806 761307.3385 -14.2512 -14.0025 PRESSURE: 758800 6.2768 -238.477 31.9569 -238.477 -47.1226 -175.699 31.9568 -175.698 -419.409 GPRESSURE: 758800 86.4564 -114.735 -13.743 -197.069 -64.9273 -167.538 -26.5372 -118.389 -395.498 PRESSAVG: 758800 1.62337 -35.4551 -33.8425 -35.4552 32.5813 26.9173 -33.8425 26.9174 18.6724 GPRESSAVG: 758800 2.07127 -36.4435 -34.8933 -34.8572 33.0427 26.4737 -31.6038 26.6108 17.7747 TIMING: 758800 CPU: 2386.62, 0.00315169/step Wall: 2386.62, 0.00315169/step, 3.71304 hours remaining, 233.312500 MB of memory in use. ENERGY: 758800 4003.3148 20514.9121 14547.6714 246.5602 -203402.0586 2484.1329 0.0000 0.0000 52029.0938 -109576.3736 299.0119 -161605.4674 -109214.0027 299.0436 -153.4183 -124.6562 760661.1926 17.6257 17.6296 PRESSURE: 759000 -67.3763 21.7934 -132.054 21.7931 -115.451 158.008 -132.054 158.008 -236.874 GPRESSURE: 759000 -19.3703 167.328 -135.201 -36.1624 -14.1782 163.168 -100.028 82.5904 -315.001 PRESSAVG: 759000 -26.1646 -31.3958 -0.221831 -31.3959 -3.95901 -34.339 -0.221791 -34.339 -11.1257 GPRESSAVG: 759000 -26.0753 -30.0069 -0.344197 -32.5737 -4.66409 -32.9396 -0.408459 -34.2142 -10.4957 TIMING: 759000 CPU: 2387.25, 0.00313819/step Wall: 2387.25, 0.00313819/step, 3.69697 hours remaining, 233.312500 MB of memory in use. ENERGY: 759000 3939.8772 20560.5139 14519.3171 235.6912 -203331.9067 2441.4273 0.0000 0.0000 51864.7286 -109770.3514 298.0673 -161635.0799 -109408.0087 299.0812 -139.9007 -116.1833 762172.0374 -13.7498 -13.7450 PRESSURE: 759200 -332.449 -187.252 93.9912 -187.253 -250.903 132.179 93.992 132.18 -75.5127 GPRESSURE: 759200 -322.591 -185.836 62.3299 -62.4243 -216.224 64.5553 55.2098 38.7584 -41.7928 PRESSAVG: 759200 -34.2285 10.5442 28.738 10.5442 -6.70715 -18.6277 28.738 -18.6278 -6.2034 GPRESSAVG: 759200 -33.7897 7.70521 30.4906 12.3552 -6.6153 -20.4381 29.1997 -18.9852 -6.8415 TIMING: 759200 CPU: 2387.88, 0.0031599/step Wall: 2387.88, 0.0031599/step, 3.72236 hours remaining, 233.312500 MB of memory in use. ENERGY: 759200 4017.1907 20607.3205 14436.6445 247.3428 -202975.7974 2286.0273 0.0000 0.0000 51681.8256 -109699.4460 297.0162 -161381.2716 -109337.4619 298.4568 -219.6216 -193.5358 761834.6214 -15.7130 -15.7488 PRESSURE: 759400 22.4335 19.5952 -20.5609 19.5953 -193.329 17.9045 -20.5605 17.905 -102.473 GPRESSURE: 759400 34.7665 155.129 -88.9286 -73.463 -109.165 -7.07542 -2.27962 -77.7417 -107.267 PRESSAVG: 759400 -7.79728 7.23117 -0.25656 7.23121 1.46495 30.9944 -0.256543 30.9943 9.47715 GPRESSAVG: 759400 -7.6789 11.2753 -2.87122 4.40435 1.75234 32.2282 -0.652704 29.8337 9.2899 TIMING: 759400 CPU: 2388.51, 0.00316006/step Wall: 2388.51, 0.00316006/step, 3.72237 hours remaining, 233.312500 MB of memory in use. ENERGY: 759400 3972.7702 20513.1989 14498.5447 251.6135 -203557.8253 2676.2491 0.0000 0.0000 51902.5385 -109742.9104 298.2846 -161645.4489 -109371.9388 298.6918 -91.1228 -60.5554 761552.7539 1.0483 1.1211 PRESSURE: 759600 169.046 -119.872 -100.096 -119.873 -190.584 3.44318 -100.096 3.444 -216.962 GPRESSURE: 759600 253.464 44.163 -162.566 -111.606 -133.998 67.2778 -30.4031 -54.2768 -279.196 PRESSAVG: 759600 39.1528 -40.5022 -27.1912 -40.5023 -33.1035 2.83158 -27.1912 2.8315 -5.91077 GPRESSAVG: 759600 39.3816 -44.3421 -27.3287 -39.4183 -33.533 2.13071 -25.0526 4.74403 -5.23773 TIMING: 759600 CPU: 2389.14, 0.00316313/step Wall: 2389.14, 0.00316313/step, 3.72582 hours remaining, 233.312500 MB of memory in use. ENERGY: 759600 4039.4712 20467.9914 14495.3786 254.4482 -203437.6717 2539.9662 0.0000 0.0000 51880.1269 -109760.2892 298.1558 -161640.4161 -109395.4895 298.9859 -79.5002 -53.2434 762690.6291 0.0462 0.2036 PRESSURE: 759800 -55.2953 -127.19 -151.384 -127.19 56.7266 90.2687 -151.383 90.2679 60.0712 GPRESSURE: 759800 -70.8348 -158.977 -169.506 -135.482 101.978 158.324 -90.9457 185.606 108.509 PRESSAVG: 759800 -17.7835 -30.8894 -32.6857 -30.8894 33.0531 -29.5373 -32.6857 -29.5373 -11.1392 GPRESSAVG: 759800 -19.2889 -29.4851 -31.9051 -31.8302 34.332 -28.1721 -35.2557 -30.0354 -11.0312 TIMING: 759800 CPU: 2389.78, 0.00316508/step Wall: 2389.78, 0.00316508/step, 3.72794 hours remaining, 233.312500 MB of memory in use. ENERGY: 759800 3946.3548 20448.4454 14434.8993 249.8383 -203192.3041 2348.7699 0.0000 0.0000 52209.5105 -109554.4859 300.0488 -161763.9964 -109176.7340 298.9911 20.5008 46.5506 760343.8410 1.3768 1.3373 PRESSURE: 760000 107.491 -135.799 3.41278 -135.799 83.9007 122.652 3.41339 122.652 573.287 GPRESSURE: 760000 186.641 -169.034 -28.4529 -141.043 41.8969 90.0268 134.207 30.4605 615.944 PRESSAVG: 760000 -20.87 -29.0926 28.7864 -29.0927 21.526 -37.9182 28.7864 -37.9182 9.54185 GPRESSAVG: 760000 -19.3637 -30.3047 28.3877 -27.0129 19.6634 -38.809 29.5339 -39.9727 10.7119 TIMING: 760000 CPU: 2390.41, 0.00316601/step Wall: 2390.41, 0.00316601/step, 3.72886 hours remaining, 233.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 760000 3954.7030 20438.7752 14444.2607 270.7875 -203252.0605 2678.3860 0.0000 0.0000 52174.1878 -109290.9601 299.8458 -161465.1479 -108925.8893 299.2683 254.8931 281.4939 761634.5722 3.3993 3.6705 PRESSURE: 760200 -19.6602 -137.968 219.423 -137.968 167.484 250.882 219.424 250.88 26.7103 GPRESSURE: 760200 118.959 -182.033 167.699 -78.3466 195.234 86.7154 209.104 339.593 -56.846 PRESSAVG: 760200 18.0561 -42.5535 77.8944 -42.5535 -56.4678 14.1956 77.8944 14.1956 -0.603562 GPRESSAVG: 760200 18.8012 -39.4449 77.8767 -42.571 -56.3115 14.399 77.3765 16.919 -1.94352 TIMING: 760200 CPU: 2391.04, 0.00316033/step Wall: 2391.04, 0.00316033/step, 3.72199 hours remaining, 233.312500 MB of memory in use. ENERGY: 760200 3975.2266 20594.2949 14469.9157 255.1323 -203534.8978 2606.1201 0.0000 0.0000 52312.0315 -109322.1768 300.6380 -161634.2083 -108948.4099 300.0963 58.1780 85.7824 760103.6316 -13.0051 -13.1513 LDB: ============= START OF LOAD BALANCING ============== 2403.44 LDB: ============== END OF LOAD BALANCING =============== 2403.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2403.44 LDB: ============= START OF LOAD BALANCING ============== 2403.76 LDB: Largest compute 7056 load 0.032935 is 16.8% of average load 0.195755 LDB: Average compute 0.004396 is 2.2% of average load 0.195755 LDB: TIME 2403.76 LOAD: AVG 0.195755 MAX 0.215564 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.855 MB LDB: TIME 2403.76 LOAD: AVG 0.195755 MAX 0.215564 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: TIME 2403.76 LOAD: AVG 0.195755 MAX 0.215564 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2403.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2403.77 PRESSURE: 760400 -130.63 -113.032 111.79 -113.033 291.262 201.78 111.79 201.781 -8.27913 GPRESSURE: 760400 -59.2906 -190.912 16.1655 -146.141 287.587 112.118 247.228 200.118 10.3029 PRESSAVG: 760400 -4.81369 -34.4089 35.5239 -34.4089 28.7785 -26.5735 35.5238 -26.5734 -4.04067 GPRESSAVG: 760400 -5.60272 -38.2287 36.1398 -32.8187 30.4312 -28.7845 36.5453 -26.4884 -4.61777 TIMING: 760400 CPU: 2391.69, 0.00323404/step Wall: 2391.69, 0.00323404/step, 3.80862 hours remaining, 232.597656 MB of memory in use. ENERGY: 760400 3963.1135 20613.7919 14462.7061 229.8444 -203405.5221 2644.9206 0.0000 0.0000 52087.9253 -109403.2202 299.3500 -161491.1456 -109040.7516 300.0090 50.7844 79.5330 760656.7229 6.6414 6.7369 PRESSURE: 760600 -176.072 -4.14507 -102.909 -4.14644 -205.063 162.779 -102.908 162.78 386.35 GPRESSURE: 760600 -121.09 -58.4218 -84.1885 -90.1083 -114.216 164.494 -126.137 69.0774 341.572 PRESSAVG: 760600 -22.9896 -7.16731 25.5048 -7.16728 -13.0223 -27.6718 25.5048 -27.6717 18.8875 GPRESSAVG: 760600 -22.1686 -6.83293 24.758 -8.71553 -13.4556 -26.0558 25.5524 -27.5501 19.3498 TIMING: 760600 CPU: 2392.32, 0.00316869/step Wall: 2392.32, 0.00316869/step, 3.73149 hours remaining, 232.800781 MB of memory in use. ENERGY: 760600 3939.8035 20482.7101 14425.2936 250.6662 -203212.7391 2694.0683 0.0000 0.0000 51829.6162 -109590.5810 297.8655 -161420.1973 -109234.7013 299.1344 1.7383 35.4222 762382.9881 -5.7081 -5.4248 PRESSURE: 760800 -35.9939 64.8291 -209.123 64.8291 221.819 -125.435 -209.122 -125.434 -185.403 GPRESSURE: 760800 69.452 84.1835 -108.922 19.5983 114.062 -139.111 -337.38 -156.506 -110.477 PRESSAVG: 760800 -10.1581 -51.4064 -11.9788 -51.4064 17.7076 -1.76143 -11.9788 -1.76142 21.93 GPRESSAVG: 760800 -10.7454 -49.8705 -12.0369 -51.5463 17.1217 -2.62252 -12.4244 -0.789824 23.3036 TIMING: 760800 CPU: 2392.96, 0.00316159/step Wall: 2392.96, 0.00316159/step, 3.72295 hours remaining, 232.800781 MB of memory in use. ENERGY: 760800 4020.6647 20301.3847 14497.6817 229.6918 -203894.1689 2968.9991 0.0000 0.0000 52167.0050 -109708.7418 299.8045 -161875.7468 -109349.8632 299.3542 0.1406 24.3458 761837.6480 9.8265 9.8933 PRESSURE: 761000 -207.673 -101.08 99.8981 -101.079 -80.1775 34.9131 99.8982 34.913 353.228 GPRESSURE: 761000 -194.403 -113.537 91.5094 -248.128 -60.067 96.3426 81.817 -78.1561 429.591 PRESSAVG: 761000 -7.64285 -31.2344 -34.5361 -31.2343 60.7344 -18.8389 -34.5361 -18.8389 3.72425 GPRESSAVG: 761000 -7.4304 -33.0225 -33.688 -31.5858 60.5297 -18.4399 -33.7343 -18.3451 3.58074 TIMING: 761000 CPU: 2393.59, 0.00316892/step Wall: 2393.59, 0.00316892/step, 3.7314 hours remaining, 232.800781 MB of memory in use. ENERGY: 761000 3924.8545 20509.6563 14516.4977 225.5403 -203635.3222 2725.9893 0.0000 0.0000 51803.6718 -109929.1123 297.7164 -161732.7841 -109568.5029 298.3141 21.7925 58.3737 761869.1455 18.9386 18.8933 PRESSURE: 761200 -176.753 -135.771 -62.524 -135.771 171.703 62.6785 -62.5243 62.6779 186.043 GPRESSURE: 761200 -106.646 -187.353 -58.762 -6.26773 194.482 -6.35858 -67.7428 77.2407 190.255 PRESSAVG: 761200 -46.8922 -36.0567 20.4005 -36.0566 25.5066 -6.71845 20.4005 -6.71846 8.69233 GPRESSAVG: 761200 -46.055 -37.0594 21.1835 -36.9831 25.4447 -7.01624 18.5841 -8.46739 8.00798 TIMING: 761200 CPU: 2394.22, 0.0031539/step Wall: 2394.22, 0.0031539/step, 3.71355 hours remaining, 232.800781 MB of memory in use. ENERGY: 761200 3951.2248 20410.9354 14469.9507 267.8606 -203403.1991 2521.7369 0.0000 0.0000 51754.9976 -110026.4931 297.4367 -161781.4907 -109663.0261 298.3491 60.3313 92.6971 760498.4066 -4.2311 -4.2008 PRESSURE: 761400 118.497 -134.892 68.6496 -134.893 295.78 -100.361 68.6495 -100.361 8.42501 GPRESSURE: 761400 203.602 -40.2476 17.8032 -143.629 318.003 -73.5978 -51.0385 -117.185 -19.2794 PRESSAVG: 761400 -46.847 -92.763 -8.34796 -92.763 26.5794 -22.9598 -8.34803 -22.9597 -7.77697 GPRESSAVG: 761400 -47.4832 -90.6696 -8.73627 -92.3016 26.6918 -21.6865 -7.18665 -24.1412 -7.56451 TIMING: 761400 CPU: 2394.85, 0.00314433/step Wall: 2394.85, 0.00314433/step, 3.70209 hours remaining, 233.003906 MB of memory in use. ENERGY: 761400 4029.3463 20321.1752 14416.2389 238.5529 -204032.0157 2987.5295 0.0000 0.0000 51971.6615 -110067.5114 298.6819 -162039.1729 -109708.3646 297.9945 140.9006 167.4417 759685.3239 -9.3482 -9.4520 PRESSURE: 761600 -79.4083 168.621 -22.9977 168.621 -96.6212 4.50456 -22.9973 4.5054 -121.756 GPRESSURE: 761600 -64.0063 56.734 -73.8815 112.531 -1.3026 -57.1714 -55.4092 15.5514 -146.124 PRESSAVG: 761600 -17.891 -13.9767 0.916807 -13.9766 22.985 22.9392 0.916862 22.9391 -4.12296 GPRESSAVG: 761600 -17.4756 -16.0515 1.467 -14.2049 21.9799 20.8752 0.0822951 24.5541 -3.69157 TIMING: 761600 CPU: 2395.48, 0.00316103/step Wall: 2395.48, 0.00316103/step, 3.72159 hours remaining, 233.003906 MB of memory in use. ENERGY: 761600 3947.7889 20443.2881 14452.2596 249.8569 -203259.6896 2456.5436 0.0000 0.0000 51793.4778 -109916.4749 297.6578 -161709.9527 -109557.4106 297.9030 -99.2619 -70.4775 763058.8476 0.3237 0.2709 PRESSURE: 761800 -84.5916 171.683 -286.247 171.684 -215.978 225.763 -286.248 225.764 -74.2588 GPRESSURE: 761800 -163.521 12.8175 -345.032 110.756 -99.7506 142.263 -311.599 233.319 -16.8751 PRESSAVG: 761800 7.05429 -35.5371 38.8496 -35.5371 2.1937 34.0608 38.8496 34.0608 28.5876 GPRESSAVG: 761800 6.14677 -33.1773 38.4408 -34.039 3.59622 36.3816 40.2384 32.5739 28.187 TIMING: 761800 CPU: 2396.11, 0.0031491/step Wall: 2396.11, 0.0031491/step, 3.70736 hours remaining, 233.003906 MB of memory in use. ENERGY: 761800 3950.0489 20400.9562 14445.0531 243.3159 -203495.0487 2712.9524 0.0000 0.0000 51742.3033 -110000.4189 297.3637 -161742.7222 -109648.7163 298.0293 -124.9427 -93.3821 762069.5671 12.6119 12.6433 PRESSURE: 762000 -139.188 62.0263 -161.419 62.0272 57.0843 104.681 -161.419 104.682 -55.8933 GPRESSURE: 762000 -143.514 33.3727 -167.119 95.5447 67.6052 95.7944 -53.1759 128.097 15.5486 PRESSAVG: 762000 1.23835 -32.4119 44.5625 -32.4118 2.6192 30.2619 44.5625 30.2619 0.276124 GPRESSAVG: 762000 1.83314 -35.5038 44.2618 -33.5814 2.5633 30.4046 43.699 31.8972 -0.312539 TIMING: 762000 CPU: 2396.74, 0.00315134/step Wall: 2396.74, 0.00315134/step, 3.70982 hours remaining, 233.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 762000 4015.9952 20411.4657 14453.7059 255.9948 -203434.6932 2560.3556 0.0000 0.0000 51857.1424 -109880.0337 298.0237 -161737.1761 -109518.2924 298.0020 -45.9991 -20.1201 762164.7494 1.3779 1.3613 PRESSURE: 762200 24.8402 -112.508 61.6051 -112.507 -191.078 -82.5733 61.6063 -82.5732 -334.197 GPRESSURE: 762200 65.6293 15.4033 118.471 -191.153 -177.498 -138.215 99.704 -74.957 -285.506 PRESSAVG: 762200 6.16689 -32.7114 -55.7547 -32.7114 24.7516 29.7594 -55.7547 29.7595 5.82161 GPRESSAVG: 762200 6.30438 -31.363 -55.1437 -31.3736 24.1124 28.6685 -56.4524 29.9314 6.77198 TIMING: 762200 CPU: 2397.38, 0.00317075/step Wall: 2397.38, 0.00317075/step, 3.7325 hours remaining, 233.003906 MB of memory in use. ENERGY: 762200 3977.0976 20434.3927 14554.9118 233.7985 -203467.5538 2591.6653 0.0000 0.0000 51860.7524 -109814.9355 298.0445 -161675.6879 -109463.1665 298.2686 -166.8116 -132.4581 762055.2375 12.2467 12.3962 PRESSURE: 762400 -152.615 -113.685 -18.6679 -113.685 -102.602 -5.34154 -18.6661 -5.34073 60.913 GPRESSURE: 762400 -114.088 -98.035 38.6006 -164.719 -78.1372 50.2119 -65.9372 -84.4024 68.4389 PRESSAVG: 762400 38.5208 -35.3448 27.6814 -35.3448 -55.3284 13.1294 27.6814 13.1294 8.28816 GPRESSAVG: 762400 39.0753 -33.7748 26.1485 -37.3724 -54.5333 13.065 28.0646 13.1997 6.7551 TIMING: 762400 CPU: 2398.01, 0.0031582/step Wall: 2398.01, 0.0031582/step, 3.71756 hours remaining, 233.003906 MB of memory in use. ENERGY: 762400 3967.6690 20420.6357 14504.8738 235.8629 -203433.7611 2509.4522 0.0000 0.0000 52050.1371 -109745.1305 299.1329 -161795.2675 -109381.6618 299.0128 -64.7679 -41.2620 761996.9692 -2.8398 -2.9010 PRESSURE: 762600 287.259 -80.2113 -177.555 -80.2115 -67.5536 -22.8294 -177.555 -22.8287 -306.881 GPRESSURE: 762600 247.398 -25.7605 -192.835 -164.784 82.9932 -87.8123 -329.101 -89.4289 -315.114 PRESSAVG: 762600 8.68482 -26.2167 -19.9116 -26.2166 46.6843 6.94348 -19.9117 6.94343 -4.11422 GPRESSAVG: 762600 8.18139 -25.8897 -19.1099 -26.2894 46.8391 7.25367 -20.542 3.22245 -3.89204 TIMING: 762600 CPU: 2398.64, 0.00315976/step Wall: 2398.64, 0.00315976/step, 3.71922 hours remaining, 233.003906 MB of memory in use. ENERGY: 762600 4029.1787 20405.1985 14603.0199 250.7984 -203458.9564 2556.9192 0.0000 0.0000 51804.3260 -109809.5156 297.7202 -161613.8416 -109448.4393 298.3435 -29.0584 5.0925 760353.9077 17.0849 17.0428 PRESSURE: 762800 -206.237 220.683 -86.9895 220.683 -146.588 -40.9435 -86.9902 -40.9434 332.667 GPRESSURE: 762800 -113.416 221.288 -142.841 246.632 -183.167 7.32481 -9.08069 -185.078 367.903 PRESSAVG: 762800 -34.8639 -39.3747 -44.503 -39.3747 18.5085 0.339272 -44.5031 0.339311 -23.9446 GPRESSAVG: 762800 -34.0789 -40.2994 -46.1928 -37.5427 18.0823 1.43088 -44.4415 0.325466 -23.7525 TIMING: 762800 CPU: 2399.27, 0.0031398/step Wall: 2399.27, 0.0031398/step, 3.69555 hours remaining, 233.003906 MB of memory in use. ENERGY: 762800 4021.7691 20448.8595 14515.4909 240.5670 -203333.7573 2371.0749 0.0000 0.0000 52211.5928 -109524.4030 300.0607 -161735.9959 -109150.9034 299.1276 -6.7193 23.7732 761954.9222 -13.4333 -13.2497 PRESSURE: 763000 -80.6916 -232.088 -78.5016 -232.089 -188.256 -101.672 -78.502 -101.672 276.199 GPRESSURE: 763000 -37.0451 -198.323 -133.261 -221.034 -91.9002 -150.682 52.7837 -77.7406 205.99 PRESSAVG: 763000 9.52289 4.42973 -34.3645 4.42972 14.6724 -40.1557 -34.3645 -40.1557 21.2166 GPRESSAVG: 763000 9.91288 3.99709 -33.2073 2.72222 14.0394 -41.1419 -34.4599 -37.4824 21.6907 TIMING: 763000 CPU: 2399.89, 0.00313296/step Wall: 2399.89, 0.00313296/step, 3.68732 hours remaining, 233.003906 MB of memory in use. ENERGY: 763000 3917.7418 20518.4511 14411.0338 236.5758 -203372.1535 2664.4829 0.0000 0.0000 51940.4634 -109683.4047 298.5026 -161623.8680 -109325.1702 298.8039 2.4171 25.6817 761689.3027 15.1373 15.2143 PRESSURE: 763200 -225.448 -94.701 33.6066 -94.7008 187.115 -221.69 33.6056 -221.69 -762.939 GPRESSURE: 763200 -216.364 -74.5721 74.9658 -59.2232 192.768 -261.585 -31.0629 -50.3392 -672.6 PRESSAVG: 763200 -26.536 25.4677 -6.00303 25.4677 27.8806 -39.4766 -6.00308 -39.4765 8.85262 GPRESSAVG: 763200 -26.231 27.124 -5.57996 24.6649 27.9916 -39.6723 -6.77067 -37.6598 8.41659 TIMING: 763200 CPU: 2400.52, 0.00314569/step Wall: 2400.52, 0.00314569/step, 3.70213 hours remaining, 233.003906 MB of memory in use. ENERGY: 763200 4046.3317 20366.4680 14562.0091 270.7869 -203278.4433 2301.7190 0.0000 0.0000 52000.5375 -109730.5910 298.8478 -161731.1285 -109373.4543 298.5237 -267.0905 -232.0651 761478.5483 3.3991 3.3924 PRESSURE: 763400 -227.004 125.596 -347.749 125.597 0.902331 -113.429 -347.75 -113.429 303.571 GPRESSURE: 763400 -117.326 147.809 -296.28 55.2039 29.9879 -154.715 -336.098 -55.3167 254.071 PRESSAVG: 763400 -16.3786 -27.5068 -47.4839 -27.5068 -19.298 9.94253 -47.4839 9.94259 -16.6978 GPRESSAVG: 763400 -16.6343 -28.8652 -46.6283 -24.9305 -19.427 11.2263 -46.9246 9.78162 -16.3091 TIMING: 763400 CPU: 2401.15, 0.00312239/step Wall: 2401.15, 0.00312239/step, 3.67454 hours remaining, 233.003906 MB of memory in use. ENERGY: 763400 3952.5389 20587.5777 14533.5513 239.5529 -203480.0263 2642.4079 0.0000 0.0000 51989.9209 -109534.4766 298.7868 -161524.3975 -109169.7880 298.8590 25.8232 55.5779 760239.2024 -17.4582 -17.4568 PRESSURE: 763600 61.8166 -111.46 -124.677 -111.459 188.097 16.4913 -124.677 16.4907 -215.41 GPRESSURE: 763600 77.4363 -123.093 -90.327 -138.019 152.34 -36.4981 -166.656 -124.421 -127.734 PRESSAVG: 763600 -16.4533 -6.88888 -0.355282 -6.88885 34.3571 -38.1224 -0.355219 -38.1224 10.6256 GPRESSAVG: 763600 -15.9386 -6.78523 0.618151 -8.81869 34.0516 -38.5792 -1.50013 -38.9784 10.87 TIMING: 763600 CPU: 2401.77, 0.0031262/step Wall: 2401.77, 0.0031262/step, 3.67884 hours remaining, 233.003906 MB of memory in use. ENERGY: 763600 4035.9139 20461.9126 14585.2891 242.9882 -203646.1525 2807.7692 0.0000 0.0000 52018.6124 -109493.6670 298.9517 -161512.2794 -109136.9797 299.0805 11.5012 34.0141 761721.6187 9.5098 9.6610 PRESSURE: 763800 -28.2547 149.612 -142.958 149.613 164.784 0.467349 -142.958 0.467555 63.587 GPRESSURE: 763800 70.6932 32.1035 -150.332 25.0514 173.921 -82.794 -160.743 -30.8118 38.8167 PRESSAVG: 763800 -9.31895 -36.2222 17.525 -36.2222 -4.89551 -11.9659 17.5251 -11.9659 -1.26166 GPRESSAVG: 763800 -9.64623 -34.9866 15.4362 -36.1069 -3.86418 -12.0479 17.3814 -11.0519 -1.69868 TIMING: 763800 CPU: 2402.4, 0.00313793/step Wall: 2402.4, 0.00313793/step, 3.69247 hours remaining, 233.003906 MB of memory in use. ENERGY: 763800 3952.6607 20456.6416 14464.9631 234.9717 -203481.7505 2772.2345 0.0000 0.0000 52172.6081 -109427.6708 299.8367 -161600.2789 -109062.5496 299.7611 66.7056 94.4770 762394.9721 -5.1587 -5.0697 PRESSURE: 764000 -129.575 73.7753 24.5297 73.7756 -97.2228 -103.953 24.53 -103.954 -452.987 GPRESSURE: 764000 -17.4934 118.566 -12.4926 41.4888 -99.4861 -123.822 69.9423 -94.8072 -461.509 PRESSAVG: 764000 62.1969 8.5155 3.64445 8.51549 -41.9962 -6.80527 3.64447 -6.80526 -11.675 GPRESSAVG: 764000 62.4652 8.44782 4.78061 10.7879 -42.4824 -6.06675 5.47481 -7.96737 -11.5776 TIMING: 764000 CPU: 2403.03, 0.00314378/step Wall: 2403.03, 0.00314378/step, 3.69918 hours remaining, 233.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 764000 3926.5537 20494.2461 14469.5073 242.9880 -203472.2281 2650.5249 0.0000 0.0000 52237.5467 -109450.8613 300.2099 -161688.4080 -109084.3005 299.3984 -226.5952 -192.8294 759939.2545 2.8419 2.8018 PRESSURE: 764200 123.788 103.254 -206.29 103.254 142.852 -42.4361 -206.29 -42.4348 177.859 GPRESSURE: 764200 219.846 41.8845 -208.379 46.8249 212.743 -2.70962 -217.968 -188.035 106.055 PRESSAVG: 764200 -19.9294 17.1216 -48.1731 17.1216 -5.69352 40.9107 -48.1731 40.9107 21.0041 GPRESSAVG: 764200 -20.3237 14.2869 -49.0801 14.3465 -5.27958 40.7634 -46.0241 41.8268 20.7111 TIMING: 764200 CPU: 2403.66, 0.00314494/step Wall: 2403.66, 0.00314494/step, 3.70037 hours remaining, 233.003906 MB of memory in use. ENERGY: 764200 4086.8238 20366.4424 14504.4342 236.9430 -203424.7016 2769.5160 0.0000 0.0000 51923.1495 -109537.3928 298.4031 -161460.5423 -109174.3392 299.3553 148.1663 179.5481 760881.9727 -1.5396 -1.6307 LDB: ============= START OF LOAD BALANCING ============== 2416.06 LDB: ============== END OF LOAD BALANCING =============== 2416.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2416.06 LDB: ============= START OF LOAD BALANCING ============== 2416.37 LDB: Largest compute 7077 load 0.033488 is 17.1% of average load 0.195811 LDB: Average compute 0.004413 is 2.3% of average load 0.195811 LDB: TIME 2416.38 LOAD: AVG 0.195811 MAX 0.21756 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.598 MB LDB: TIME 2416.38 LOAD: AVG 0.195811 MAX 0.21756 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: TIME 2416.38 LOAD: AVG 0.195811 MAX 0.21756 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: ============== END OF LOAD BALANCING =============== 2416.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2416.39 PRESSURE: 764400 70.559 -254.654 53.7481 -254.654 -243.418 -221.148 53.7475 -221.148 1.22939 GPRESSURE: 764400 66.6724 -175.491 104.355 -150.412 -167.48 -149.27 -2.4615 -123.357 22.2598 PRESSAVG: 764400 -15.704 -29.6138 9.53012 -29.6138 20.79 15.9769 9.53008 15.9768 13.3976 GPRESSAVG: 764400 -16.8035 -28.1089 10.8276 -27.4352 19.8854 15.5777 8.62178 17.1813 15.1032 TIMING: 764400 CPU: 2404.3, 0.00322537/step Wall: 2404.3, 0.00322537/step, 3.79483 hours remaining, 233.863281 MB of memory in use. ENERGY: 764400 3962.9520 20499.6377 14528.8044 253.3241 -203292.8114 2575.8194 0.0000 0.0000 51922.8494 -109549.4244 298.4013 -161472.2738 -109191.6114 298.9003 -57.2099 -26.1825 759846.3022 6.1612 6.0617 PRESSURE: 764600 -61.167 25.4227 123.018 25.4219 -91.3367 33.3443 123.018 33.3437 -433.951 GPRESSURE: 764600 -38.5004 -13.4092 110.607 -51.0724 -63.6697 77.7575 34.3631 -210.032 -411.1 PRESSAVG: 764600 95.677 -13.6866 -16.3015 -13.6867 -44.5747 -6.83273 -16.3014 -6.83277 -18.9782 GPRESSAVG: 764600 96.1495 -13.6009 -16.6026 -12.9128 -44.3165 -7.91067 -18.7754 -6.8609 -19.4576 TIMING: 764600 CPU: 2404.93, 0.00312428/step Wall: 2404.93, 0.00312428/step, 3.67572 hours remaining, 234.363281 MB of memory in use. ENERGY: 764600 3986.3854 20736.0034 14440.9471 259.2143 -203433.3611 2443.3609 0.0000 0.0000 51904.6559 -109662.7941 298.2968 -161567.4500 -109307.5707 299.0918 -195.4848 -171.0901 759886.6926 10.7080 10.7918 PRESSURE: 764800 104.768 -206.262 85.5934 -206.262 -82.5607 -113.14 85.5935 -113.141 -9.85147 GPRESSURE: 764800 57.4389 -205.576 100.318 -201.55 33.0957 -5.9915 52.077 -162.814 4.89689 PRESSAVG: 764800 58.2679 -40.0564 31.3825 -40.0564 -41.3822 8.81064 31.3826 8.81069 0.0912523 GPRESSAVG: 764800 58.9041 -39.0398 30.8174 -41.2135 -42.0673 9.6172 32.8283 6.60709 -0.00966977 TIMING: 764800 CPU: 2405.56, 0.00315224/step Wall: 2405.56, 0.00315224/step, 3.70843 hours remaining, 234.851562 MB of memory in use. ENERGY: 764800 3923.8644 20342.8224 14475.3337 247.8678 -203146.5644 2247.3324 0.0000 0.0000 52235.1682 -109674.1755 300.1962 -161909.3437 -109292.6383 299.1526 4.1185 31.8105 759199.5386 5.6590 5.6090 PRESSURE: 765000 -38.2729 258.145 -309.201 258.144 -44.3599 115.528 -309.202 115.527 -315.988 GPRESSURE: 765000 -2.23502 237.814 -224.757 180.934 -88.4687 130.111 -187.277 58.7905 -228.397 PRESSAVG: 765000 3.96845 -28.9956 14.0983 -28.9956 -16.205 8.03083 14.0983 8.03082 0.395125 GPRESSAVG: 765000 3.99619 -28.4618 14.8608 -30.9718 -15.7504 8.42132 13.8099 11.0604 -0.496174 TIMING: 765000 CPU: 2406.19, 0.00314633/step Wall: 2406.19, 0.00314633/step, 3.70131 hours remaining, 234.851562 MB of memory in use. ENERGY: 765000 3973.9896 20500.5335 14512.1398 239.9308 -203572.2063 2601.2625 0.0000 0.0000 52048.6997 -109695.6503 299.1246 -161744.3500 -109333.5695 298.8901 -132.8736 -106.3669 761056.4805 -3.9471 -4.0835 PRESSURE: 765200 116.572 119.935 39.2595 119.935 186.367 101.315 39.2584 101.315 -382.889 GPRESSURE: 765200 178.34 -34.795 -54.2819 174.425 35.2656 99.5288 51.8103 44.5902 -229.893 PRESSAVG: 765200 -16.8375 -28.4631 -60.1269 -28.4631 -28.3893 0.623669 -60.1269 0.623645 16.933 GPRESSAVG: 765200 -16.4544 -30.1595 -60.0839 -24.7119 -29.3684 -0.710642 -59.7643 -1.19503 17.1496 TIMING: 765200 CPU: 2406.81, 0.00313127/step Wall: 2406.81, 0.00313127/step, 3.68342 hours remaining, 234.851562 MB of memory in use. ENERGY: 765200 3911.4370 20715.1259 14363.9110 238.2537 -203468.6444 2512.1397 0.0000 0.0000 52077.1303 -109650.6469 299.2880 -161727.7772 -109283.0976 298.8756 -26.6501 -5.4289 759169.3866 -9.4313 -9.5578 PRESSURE: 765400 -223.459 -60.6443 -66.2475 -60.645 -177.883 -142.317 -66.2478 -142.318 -395.121 GPRESSURE: 765400 -245.545 1.42195 -47.38 -93.8988 -192.535 -188.479 -69.1872 -60.1284 -285.341 PRESSAVG: 765400 25.9347 11.2635 -25.1117 11.2634 10.4258 3.06698 -25.1117 3.06687 3.64107 GPRESSAVG: 765400 25.5855 11.3984 -26.6072 7.40074 9.87887 3.83867 -23.2619 2.54331 4.26089 TIMING: 765400 CPU: 2407.44, 0.00315244/step Wall: 2407.44, 0.00315244/step, 3.70815 hours remaining, 234.851562 MB of memory in use. ENERGY: 765400 4044.6387 20703.0795 14418.2860 258.9235 -203024.3475 2286.8780 0.0000 0.0000 52069.5070 -109243.0348 299.2442 -161312.5418 -108874.1179 299.4692 -265.4876 -241.1401 761388.0714 13.3339 13.2417 PRESSURE: 765600 136.665 -27.2779 21.321 -27.2772 -102.259 386.233 21.321 386.234 -100.416 GPRESSURE: 765600 109.793 -76.5137 73.31 45.497 -23.5728 371.75 26.2777 221.492 -70.6575 PRESSAVG: 765600 5.36484 -32.176 12.9012 -32.176 -21.8181 11.6632 12.9013 11.6632 -7.81558 GPRESSAVG: 765600 4.6397 -30.6499 13.9997 -32.0639 -20.2062 11.4126 10.1864 11.774 -8.20991 TIMING: 765600 CPU: 2408.07, 0.00314457/step Wall: 2408.07, 0.00314457/step, 3.69872 hours remaining, 234.851562 MB of memory in use. ENERGY: 765600 4040.8721 20457.7710 14404.0658 237.0911 -203523.1007 2775.0079 0.0000 0.0000 52221.8528 -109386.4401 300.1197 -161608.2929 -109029.3232 299.6140 -22.0037 5.1875 760152.5757 -8.0896 -7.9255 PRESSURE: 765800 -283.996 -139.849 277.669 -139.849 -153.103 21.7523 277.669 21.7529 -259.744 GPRESSURE: 765800 -269.616 -129.123 412.487 -64.0965 -107.137 3.76984 189.316 -116.023 -232.821 PRESSAVG: 765800 4.21873 -75.9705 4.12409 -75.9705 -12.9234 23.4956 4.12416 23.4957 -14.4228 GPRESSAVG: 765800 3.61038 -74.9555 5.11754 -73.8307 -13.0776 25.0358 3.7135 23.3159 -13.9785 TIMING: 765800 CPU: 2408.7, 0.00316014/step Wall: 2408.7, 0.00316014/step, 3.71686 hours remaining, 234.851562 MB of memory in use. ENERGY: 765800 4040.1831 20640.0088 14476.7317 250.0023 -203390.9281 2379.8424 0.0000 0.0000 52057.2176 -109546.9423 299.1735 -161604.1599 -109195.7844 299.4782 -232.2807 -203.1914 761026.6232 -7.7092 -7.8152 PRESSURE: 766000 308.61 30.423 -162.774 30.4228 171.938 317.605 -162.774 317.604 -394.961 GPRESSURE: 766000 350.173 -26.0301 -166.076 -6.61217 124.964 337.275 -153.512 255.411 -319.29 PRESSAVG: 766000 22.9766 -42.7722 42.1258 -42.7721 40.4708 -2.37123 42.1258 -2.37126 -3.95329 GPRESSAVG: 766000 23.9316 -44.0322 40.2673 -42.8514 38.2894 -1.92882 43.8824 -2.08223 -2.978 TIMING: 766000 CPU: 2409.34, 0.00317872/step Wall: 2409.34, 0.00317872/step, 3.73853 hours remaining, 234.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 766000 3949.1964 20509.6864 14403.6940 246.3304 -202978.0870 2266.5489 0.0000 0.0000 51976.1670 -109626.4639 298.7077 -161602.6309 -109257.6897 299.1848 28.5290 51.9492 760755.8693 19.8314 19.7477 PRESSURE: 766200 -137.451 -203.777 -194.092 -203.776 -102.866 -15.669 -194.093 -15.6681 -476.899 GPRESSURE: 766200 -114.688 -163.203 -264.611 -284.575 -74.2494 -30.9576 -253.699 42.2926 -446.86 PRESSAVG: 766200 -17.8633 -53.7515 47.7181 -53.7515 5.04325 50.0547 47.7182 50.0547 20.4958 GPRESSAVG: 766200 -17.8972 -53.8839 48.0922 -54.7908 7.40804 49.9252 47.9676 49.3647 18.1302 TIMING: 766200 CPU: 2409.97, 0.00316574/step Wall: 2409.97, 0.00316574/step, 3.72308 hours remaining, 234.851562 MB of memory in use. ENERGY: 766200 4073.8165 20637.0311 14379.7633 237.2251 -203398.3165 2328.4350 0.0000 0.0000 52125.3905 -109616.6548 299.5653 -161742.0453 -109251.9458 299.6607 -239.0720 -211.9324 761598.3654 2.5586 2.5470 PRESSURE: 766400 65.3401 -250.573 198.015 -250.573 -91.0562 58.6871 198.016 58.6868 -213.578 GPRESSURE: 766400 99.1257 -147.017 155.332 -32.8579 -35.4956 -9.66089 318.704 -116.294 -206.806 PRESSAVG: 766400 9.93751 -11.1718 46.4246 -11.1718 18.7152 44.988 46.4246 44.988 -2.77958 GPRESSAVG: 766400 10.3804 -11.1926 45.8252 -8.92831 17.4997 44.9738 46.6281 44.5158 -2.17979 TIMING: 766400 CPU: 2410.61, 0.00316661/step Wall: 2410.61, 0.00316661/step, 3.72393 hours remaining, 234.851562 MB of memory in use. ENERGY: 766400 4083.1947 20457.5702 14381.1196 246.0216 -204106.8631 3040.5049 0.0000 0.0000 52084.8466 -109813.6054 299.3323 -161898.4520 -109444.4303 299.5710 -79.7647 -47.7252 761033.2833 8.6244 8.5668 PRESSURE: 766600 21.1479 -69.1408 -259.694 -69.141 -203.752 -290.369 -259.694 -290.368 167.671 GPRESSURE: 766600 38.4416 -58.051 -198.227 -132.606 -146.261 -319.115 -244.781 -236.847 183.318 PRESSAVG: 766600 -7.55742 -14.58 33.3683 -14.58 7.96309 -1.16663 33.3683 -1.16671 -12.9653 GPRESSAVG: 766600 -8.12539 -15.1464 33.6167 -15.9066 8.15144 -0.473677 32.9554 1.17567 -12.429 TIMING: 766600 CPU: 2411.24, 0.00316318/step Wall: 2411.24, 0.00316318/step, 3.71973 hours remaining, 234.851562 MB of memory in use. ENERGY: 766600 4018.0433 20849.0331 14435.2671 246.7419 -203346.4696 2307.6652 0.0000 0.0000 51890.1295 -109599.5895 298.2133 -161489.7189 -109243.5946 299.6838 -4.9775 25.1662 760166.1700 -4.1865 -4.1343 PRESSURE: 766800 -202.363 151.675 -25.7915 151.675 40.4077 -4.46635 -25.7909 -4.46581 -57.4701 GPRESSURE: 766800 -197.567 -10.4285 37.054 126.871 113.318 57.2892 -84.7843 -50.328 -45.9553 PRESSAVG: 766800 -16.2743 -30.7472 -10.2908 -30.7472 39.5147 -10.9201 -10.2908 -10.9202 8.01043 GPRESSAVG: 766800 -15.9738 -29.5138 -9.91831 -32.6122 40.2001 -12.6626 -9.31101 -11.9339 7.16314 TIMING: 766800 CPU: 2411.87, 0.00315025/step Wall: 2411.87, 0.00315025/step, 3.70434 hours remaining, 234.851562 MB of memory in use. ENERGY: 766800 3905.8581 20696.7714 14393.8844 241.7021 -203248.9657 2351.5096 0.0000 0.0000 51764.1448 -109895.0954 297.4893 -161659.2402 -109537.9932 299.1435 -73.1419 -43.4015 759767.4492 10.4170 10.4631 PRESSURE: 767000 17.6372 -17.7167 89.0414 -17.7167 6.82699 -259.288 89.0412 -259.286 75.8331 GPRESSURE: 767000 -16.2572 76.1948 58.0693 -13.7437 59.0482 -200.221 53.8981 -246.786 140.873 PRESSAVG: 767000 2.91124 -3.39628 -5.02727 -3.39628 -12.2089 29.645 -5.02725 29.645 25.5071 GPRESSAVG: 767000 4.03652 -3.80152 -3.909 -1.01739 -14.5134 29.5446 -5.51243 29.9846 27.0481 TIMING: 767000 CPU: 2412.5, 0.00317516/step Wall: 2412.5, 0.00317516/step, 3.73346 hours remaining, 234.851562 MB of memory in use. ENERGY: 767000 4063.7174 20535.8350 14414.0407 227.4006 -203824.9440 2862.8022 0.0000 0.0000 51979.0793 -109742.0688 298.7245 -161721.1481 -109386.9930 298.7887 33.4324 61.2212 758321.8733 5.4032 5.5237 PRESSURE: 767200 -24.2368 21.3765 53.2527 21.3778 -122.219 -171.177 53.2538 -171.177 -156.752 GPRESSURE: 767200 -72.722 -43.8484 77.5216 143.437 33.1944 -174.124 10.0278 -52.4163 -157.861 PRESSAVG: 767200 37.5002 -33.0641 3.39705 -33.064 -43.2908 -2.52045 3.39705 -2.52049 -7.25971 GPRESSAVG: 767200 36.6373 -34.0166 2.71182 -33.6688 -42.1627 -2.61101 3.126 0.131604 -7.94481 TIMING: 767200 CPU: 2413.14, 0.0031546/step Wall: 2413.14, 0.0031546/step, 3.70911 hours remaining, 234.851562 MB of memory in use. ENERGY: 767200 3975.1679 20483.9122 14472.9978 232.2810 -203474.2273 2448.9800 0.0000 0.0000 52129.7477 -109731.1407 299.5904 -161860.8884 -109353.4921 298.9053 -101.0693 -65.7963 758643.2231 -4.3501 -4.4901 PRESSURE: 767400 331.19 -149.817 -182.437 -149.818 -276.402 102.386 -182.437 102.387 475.292 GPRESSURE: 767400 295.682 -96.9532 -230 -117.745 -145.689 100.164 -213.668 61.5242 466.857 PRESSAVG: 767400 48.4368 15.6794 2.93596 15.6794 -21.7055 -22.783 2.93596 -22.783 7.13814 GPRESSAVG: 767400 48.0849 15.463 2.10248 17.2336 -20.0413 -22.7002 3.11495 -23.7188 5.60246 TIMING: 767400 CPU: 2413.77, 0.00315327/step Wall: 2413.77, 0.00315327/step, 3.70737 hours remaining, 234.851562 MB of memory in use. ENERGY: 767400 3938.1332 20504.5237 14454.2273 237.9337 -203953.2109 3028.1304 0.0000 0.0000 51952.9423 -109837.3203 298.5743 -161790.2626 -109471.3766 298.9808 176.6933 205.6169 758736.7782 11.2898 11.2154 PRESSURE: 767600 280.216 15.6792 9.70866 15.6784 9.60599 -104.805 9.70882 -104.804 100.52 GPRESSURE: 767600 231.503 -84.9613 -18.5628 52.8937 78.6374 -74.3859 120.905 -161.518 170.59 PRESSAVG: 767600 -11.582 -54.0186 -8.79541 -54.0186 -33.2615 22.8941 -8.79534 22.8941 -1.98612 GPRESSAVG: 767600 -10.9127 -53.0506 -7.74742 -55.3219 -34.8047 23.8815 -9.72021 18.7082 -0.670705 TIMING: 767600 CPU: 2414.4, 0.00315379/step Wall: 2414.4, 0.00315379/step, 3.7078 hours remaining, 234.851562 MB of memory in use. ENERGY: 767600 3983.1023 20309.3031 14491.7486 232.1822 -203549.0000 2634.6613 0.0000 0.0000 52049.9231 -109848.0794 299.1316 -161898.0025 -109478.5272 298.7331 130.1140 160.2435 759263.3580 -15.6099 -15.4627 PRESSURE: 767800 41.1317 127.452 -29.8595 127.452 204.125 -26.7572 -29.8599 -26.7571 282.357 GPRESSURE: 767800 101.055 98.7952 -34.2518 98.7292 233.657 -6.05307 -14.4432 -38.8707 293.293 PRESSAVG: 767800 37.5418 -15.554 -20.9374 -15.554 -24.1023 -11.0848 -20.9375 -11.0847 -18.4439 GPRESSAVG: 767800 36.8052 -15.4169 -21.0282 -14.8116 -23.8624 -11.195 -18.1864 -8.04795 -17.687 TIMING: 767800 CPU: 2415.03, 0.00315135/step Wall: 2415.03, 0.00315135/step, 3.70476 hours remaining, 234.851562 MB of memory in use. ENERGY: 767800 4045.6448 20467.7972 14425.6677 226.5814 -203868.9434 2779.3507 0.0000 0.0000 52150.8251 -109773.0767 299.7115 -161923.9017 -109402.3488 299.3071 175.8712 209.3350 760226.5056 -1.6681 -1.5814 PRESSURE: 768000 191.949 -95.1054 -79.5192 -95.1046 109.972 170.859 -79.5185 170.859 66.4398 GPRESSURE: 768000 197.608 -34.3222 -7.49774 -168.83 131.749 88.0983 -79.2496 208.221 120.049 PRESSAVG: 768000 35.3479 30.5785 2.56413 30.5784 -11.366 5.85386 2.56417 5.85379 -8.17282 GPRESSAVG: 768000 35.8265 30.7978 2.27375 28.8213 -11.8602 5.76526 0.4787 6.22 -7.8383 TIMING: 768000 CPU: 2415.66, 0.00314994/step Wall: 2415.66, 0.00314994/step, 3.70293 hours remaining, 234.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 768000 4033.7916 20562.9047 14466.3082 239.0507 -203727.1758 2798.8922 0.0000 0.0000 51676.4488 -109949.7796 296.9853 -161626.2284 -109589.4405 298.6075 122.7869 149.8021 759237.9882 5.2697 5.3760 PRESSURE: 768200 -2.38178 -178.379 -77.1574 -178.379 26.6963 38.6991 -77.1576 38.7002 62.8917 GPRESSURE: 768200 86.5041 -118.952 -55.9766 -93.5269 104.495 -60.2547 -80.1678 23.7409 -21.0899 PRESSAVG: 768200 22.8265 -61.5576 -63.0455 -61.5576 -48.7754 -35.8184 -63.0454 -35.8184 16.1092 GPRESSAVG: 768200 22.5284 -64.0785 -64.0449 -59.5494 -48.0915 -36.0739 -63.5217 -36.6202 15.3227 TIMING: 768200 CPU: 2416.29, 0.00314891/step Wall: 2416.29, 0.00314891/step, 3.70155 hours remaining, 234.851562 MB of memory in use. ENERGY: 768200 4044.8982 20459.8189 14515.0082 259.9236 -203824.6886 2726.0474 0.0000 0.0000 52088.3979 -109730.5945 299.3527 -161818.9924 -109364.1361 299.0711 29.0687 56.6366 759408.9911 -3.2799 -3.4135 LDB: ============= START OF LOAD BALANCING ============== 2428.68 LDB: ============== END OF LOAD BALANCING =============== 2428.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2428.69 LDB: ============= START OF LOAD BALANCING ============== 2429 LDB: Largest compute 7056 load 0.033848 is 17.3% of average load 0.195780 LDB: Average compute 0.004415 is 2.3% of average load 0.195780 LDB: TIME 2429.01 LOAD: AVG 0.19578 MAX 0.215907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 2429.01 LOAD: AVG 0.19578 MAX 0.215907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: TIME 2429.01 LOAD: AVG 0.19578 MAX 0.215907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: ============== END OF LOAD BALANCING =============== 2429.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2429.01 PRESSURE: 768400 -287.065 -188.859 70.5274 -188.859 -149.864 -82.2443 70.527 -82.2441 -243.419 GPRESSURE: 768400 -239.262 -216.43 -27.8974 -79.1634 -77.002 -56.755 28.0218 -199.383 -256.864 PRESSAVG: 768400 98.7505 -53.176 -14.5558 -53.1759 -46.5213 9.36306 -14.5558 9.36297 28.1021 GPRESSAVG: 768400 98.4586 -51.7665 -14.2476 -54.5988 -46.7676 10.3734 -15.2622 6.62601 27.9314 TIMING: 768400 CPU: 2416.93, 0.00321964/step Wall: 2416.93, 0.00321964/step, 3.7845 hours remaining, 233.562500 MB of memory in use. ENERGY: 768400 3955.7794 20549.1675 14459.6071 260.7476 -203582.6021 2460.4271 0.0000 0.0000 52121.0034 -109775.8701 299.5401 -161896.8735 -109409.5176 299.1602 -226.7828 -191.0428 761005.3737 26.7771 26.5408 PRESSURE: 768600 -98.4356 -50.695 -192.97 -50.6947 107.51 8.26222 -192.969 8.26227 -284.332 GPRESSURE: 768600 -17.7887 -32.8465 -190.363 -60.9219 69.9568 -60.7814 -117.678 97.1277 -235.439 PRESSAVG: 768600 32.2083 -69.2797 -11.1591 -69.2798 -16.6049 -28.0448 -11.1591 -28.0448 -16.2108 GPRESSAVG: 768600 33.4275 -69.4845 -11.5979 -70.2132 -17.6193 -29.0144 -11.2012 -24.0316 -16.4681 TIMING: 768600 CPU: 2417.56, 0.00314187/step Wall: 2417.56, 0.00314187/step, 3.69291 hours remaining, 233.562500 MB of memory in use. ENERGY: 768600 4062.0721 20651.7115 14462.4948 242.8318 -204092.2321 2781.6157 0.0000 0.0000 51923.3520 -109968.1542 298.4042 -161891.5063 -109611.2726 298.7316 -91.7526 -61.0904 760197.6182 -0.2025 -0.2200 PRESSURE: 768800 157.999 -10.8109 -274.632 -10.8108 234.065 -110.02 -274.632 -110.021 -281.529 GPRESSURE: 768800 107.196 -25.6694 -191.013 6.26995 285.042 -63.7543 -275.935 2.15988 -210.959 PRESSAVG: 768800 -26.3361 -67.8503 -25.2574 -67.8503 -13.0592 40.1976 -25.2574 40.1976 -8.86582 GPRESSAVG: 768800 -26.0452 -68.8226 -26.0396 -66.3915 -12.4 40.1443 -24.6549 39.6405 -9.96734 TIMING: 768800 CPU: 2418.19, 0.00313428/step Wall: 2418.19, 0.00313428/step, 3.68382 hours remaining, 233.562500 MB of memory in use. ENERGY: 768800 3861.9866 20536.7074 14426.2993 266.5409 -203835.9905 2677.2538 0.0000 0.0000 52190.0036 -109877.1990 299.9367 -162067.2025 -109508.8180 298.2173 36.8449 60.4263 759537.4614 -16.0870 -16.1375 PRESSURE: 769000 106.812 -101.329 181.33 -101.329 239.252 -172.157 181.331 -172.156 30.3056 GPRESSURE: 769000 221.957 23.5599 200.497 -80.9596 207.819 -101.72 173.194 -216.245 42.3332 PRESSAVG: 769000 0.486347 -82.6113 1.5624 -82.6112 47.1881 -19.8989 1.56242 -19.8989 -28.8537 GPRESSAVG: 769000 1.24269 -79.3827 0.22874 -83.2833 46.646 -18.6146 3.87419 -20.064 -28.2688 TIMING: 769000 CPU: 2418.82, 0.00315864/step Wall: 2418.82, 0.00315864/step, 3.71228 hours remaining, 233.562500 MB of memory in use. ENERGY: 769000 3861.4835 20524.6271 14348.4779 230.5309 -203883.4421 2774.9547 0.0000 0.0000 52092.4349 -110050.9331 299.3759 -162143.3680 -109678.7775 298.5634 125.4564 157.3698 762614.9850 6.2736 6.5400 PRESSURE: 769200 74.2612 78.7031 3.28437 78.7027 -147.12 -0.476426 3.28362 -0.477121 191.042 GPRESSURE: 769200 70.6373 -31.4023 36.0379 108.548 -67.5633 -3.00401 -88.8827 -150.06 192.158 PRESSAVG: 769200 -37.4208 -28.1141 9.68798 -28.114 30.2382 -9.33969 9.68789 -9.33962 -9.33345 GPRESSAVG: 769200 -41.2659 -31.9414 12.3919 -27.5874 32.4987 -11.1304 9.51656 -10.2801 -7.83446 TIMING: 769200 CPU: 2419.45, 0.00314325/step Wall: 2419.45, 0.00314325/step, 3.69402 hours remaining, 233.562500 MB of memory in use. ENERGY: 769200 3977.7125 20449.3054 14429.5054 237.9545 -203712.6287 2853.3062 0.0000 0.0000 51572.2278 -110192.6169 296.3863 -161764.8447 -109836.6539 298.2529 39.3946 65.0773 762360.4264 -5.5054 -5.5339 PRESSURE: 769400 -55.1478 27.7203 -14.1432 27.72 81.8608 96.2199 -14.1432 96.221 -235.854 GPRESSURE: 769400 -25.9087 98.3192 -4.52279 -3.83757 146.825 209.257 -99.6558 -19.9007 -242.787 PRESSAVG: 769400 -42.0318 -83.8109 23.4561 -83.8109 16.8897 3.26445 23.456 3.26444 7.40991 GPRESSAVG: 769400 -39.8211 -82.2771 22.5286 -84.2024 16.1271 5.97589 23.1238 2.33565 6.64705 TIMING: 769400 CPU: 2420.08, 0.00314587/step Wall: 2420.08, 0.00314587/step, 3.69693 hours remaining, 233.562500 MB of memory in use. ENERGY: 769400 3975.8550 20405.3078 14433.9844 232.7561 -203606.0780 2521.7705 0.0000 0.0000 52007.8039 -110028.6004 298.8896 -162036.4043 -109666.4484 298.1161 -69.7135 -40.6236 761489.6030 -5.9107 -5.6823 PRESSURE: 769600 -4.04736 -17.1361 160.826 -17.1366 -255.866 41.0054 160.826 41.0053 -128.482 GPRESSURE: 769600 -7.54413 -35.5128 130.778 75.7491 -183.621 91.0293 109.348 -4.67926 -105.861 PRESSAVG: 769600 -46.1461 -56.1641 -2.45146 -56.1641 61.0876 -60.0226 -2.45143 -60.0226 -16.1306 GPRESSAVG: 769600 -47.3422 -57.9791 -2.59559 -54.5978 61.8017 -62.2113 -3.46849 -58.9053 -15.4988 TIMING: 769600 CPU: 2420.7, 0.00313649/step Wall: 2420.7, 0.00313649/step, 3.68572 hours remaining, 233.562500 MB of memory in use. ENERGY: 769600 3923.5093 20571.3258 14421.9291 250.3074 -203676.9068 2619.0298 0.0000 0.0000 51927.1795 -109963.6258 298.4262 -161890.8054 -109605.1134 298.1476 -129.4654 -99.0086 761398.9301 -0.3964 -0.3464 PRESSURE: 769800 -263.257 258.411 150.113 258.411 378.85 -152.06 150.113 -152.059 110.871 GPRESSURE: 769800 -95.9879 244.686 47.9003 130.598 278.128 -92.4138 130.592 -65.3426 94.06 PRESSAVG: 769800 -54.9447 -40.7697 -59.1372 -40.7697 19.0961 -53.4869 -59.1372 -53.487 17.5179 GPRESSAVG: 769800 -52.36 -39.7061 -57.7875 -41.3545 16.917 -53.9459 -57.3952 -50.8491 16.9206 TIMING: 769800 CPU: 2421.34, 0.00315881/step Wall: 2421.33, 0.00315881/step, 3.71177 hours remaining, 233.562500 MB of memory in use. ENERGY: 769800 3935.8534 20841.5362 14418.3904 247.1037 -203914.5693 2656.8183 0.0000 0.0000 51760.0979 -110054.7694 297.4660 -161814.8673 -109694.4384 298.4322 75.4877 92.0667 759398.4378 -6.1102 -6.1741 PRESSURE: 770000 -252.509 194.176 41.2861 194.177 -230.561 33.9401 41.2855 33.9405 -79.8889 GPRESSURE: 770000 -198.44 205.215 69.0986 137.914 -179.685 69.8598 31.3408 144.548 -89.2576 PRESSAVG: 770000 -37.6791 22.888 41.6937 22.888 24.9603 -0.0174355 41.6937 -0.0175044 1.82986 GPRESSAVG: 770000 -38.8169 23.9012 40.1698 21.6805 26.1404 0.352271 38.7178 -1.58271 1.88381 TIMING: 770000 CPU: 2421.97, 0.00316601/step Wall: 2421.97, 0.00316601/step, 3.72006 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 770000 3994.7548 20602.0751 14432.8907 263.6964 -203244.2088 2135.8110 0.0000 0.0000 52086.6715 -109728.3093 299.3428 -161814.9808 -109356.3510 298.6277 -187.6532 -155.7943 762032.2570 -3.6296 -3.5976 PRESSURE: 770200 203.616 -62.578 -109.291 -62.5777 -116.071 -4.96697 -109.291 -4.96748 101.271 GPRESSURE: 770200 252.968 -68.6989 -61.4748 -98.3843 -14.924 -47.8447 -34.3982 -32.4016 50.4222 PRESSAVG: 770200 -4.95401 67.46 -35.1624 67.4601 3.28588 -21.7852 -35.1623 -21.7852 0.490262 GPRESSAVG: 770200 -6.06582 64.9093 -34.2075 66.4618 3.38332 -20.6005 -31.5146 -20.7339 1.16231 TIMING: 770200 CPU: 2422.6, 0.00315383/step Wall: 2422.6, 0.00315384/step, 3.70558 hours remaining, 233.562500 MB of memory in use. ENERGY: 770200 3957.6787 20534.8257 14420.7409 255.5377 -203281.0116 2407.1123 0.0000 0.0000 52106.0809 -109599.0355 299.4544 -161705.1164 -109230.0232 299.4177 62.9385 96.1555 760690.7867 -0.3926 -0.5067 PRESSURE: 770400 -26.3759 -8.51326 122.836 -8.51308 -158.51 113.568 122.836 113.568 85.0807 GPRESSURE: 770400 -101.435 -158.014 121.055 -24.9881 -90.8398 131.825 50.7599 -12.3937 176.329 PRESSAVG: 770400 3.49036 -21.4138 2.44003 -21.4139 -41.1333 10.1752 2.44004 10.1753 -4.06933 GPRESSAVG: 770400 4.09465 -17.2908 2.60672 -21.2088 -40.864 7.72977 -2.05024 10.3709 -4.98267 TIMING: 770400 CPU: 2423.23, 0.00315106/step Wall: 2423.23, 0.00315106/step, 3.70215 hours remaining, 233.562500 MB of memory in use. ENERGY: 770400 3965.5586 20635.3336 14493.1099 242.3931 -203675.1354 2657.6579 0.0000 0.0000 52002.6940 -109678.3882 298.8602 -161681.0822 -109321.8566 298.9814 -33.2685 -5.3153 760660.2511 -13.9041 -13.9173 PRESSURE: 770600 -90.4838 -224.635 -68.2539 -224.636 -8.70875 -232.61 -68.2548 -232.611 35.1944 GPRESSURE: 770600 -34.9824 -222.681 -97.568 -152.962 21.6527 -195.864 -28.2562 -146.081 22.6078 PRESSAVG: 770600 4.61272 -5.41414 13.3816 -5.41408 -1.25482 13.1894 13.3816 13.1895 3.08301 GPRESSAVG: 770600 4.58544 -7.00095 12.7864 -5.87606 -0.966582 15.3005 16.6902 11.6468 2.61922 TIMING: 770600 CPU: 2423.86, 0.00314279/step Wall: 2423.86, 0.00314279/step, 3.69225 hours remaining, 233.562500 MB of memory in use. ENERGY: 770600 3985.2912 20747.3899 14550.1489 243.2776 -203506.4807 2426.0481 0.0000 0.0000 51895.1516 -109659.1733 298.2421 -161554.3250 -109299.7201 299.2581 -21.3327 3.0927 760681.7835 2.1470 2.0794 PRESSURE: 770800 -75.9878 105.019 166.904 105.019 -294.566 288.221 166.905 288.222 182.377 GPRESSURE: 770800 -10.8685 49.2063 140.503 38.9518 -262.654 280.853 99.8408 243.294 191.697 PRESSAVG: 770800 8.37274 3.95046 36.3574 3.95044 15.2612 28.6429 36.3575 28.6429 1.93447 GPRESSAVG: 770800 9.50966 4.93517 35.5677 5.30855 13.0073 28.3638 36.0593 30.5352 2.50573 TIMING: 770800 CPU: 2424.49, 0.00316/step Wall: 2424.49, 0.00316/step, 3.71229 hours remaining, 233.562500 MB of memory in use. ENERGY: 770800 3912.7110 20473.6516 14459.7438 255.7646 -203382.8824 2428.5071 0.0000 0.0000 52004.9051 -109847.5993 298.8729 -161852.5044 -109477.8058 299.2928 -62.7256 -27.2751 761571.4321 8.5228 8.3409 PRESSURE: 771000 -238.523 -142.819 -331.111 -142.818 -111.705 1.95442 -331.11 1.95396 -438.133 GPRESSURE: 771000 -157.912 -198.173 -322.529 -190.573 -114.205 25.1022 -390.668 -17.1263 -429.657 PRESSAVG: 771000 -34.447 14.4799 -12.6207 14.4798 56.9648 4.85771 -12.6208 4.85763 0.66064 GPRESSAVG: 771000 -35.5113 12.2614 -11.5448 14.7869 58.4126 4.22566 -14.5913 4.08384 0.746579 TIMING: 771000 CPU: 2425.12, 0.00315925/step Wall: 2425.12, 0.00315925/step, 3.71124 hours remaining, 233.562500 MB of memory in use. ENERGY: 771000 3972.9261 20512.3778 14469.7125 237.4404 -203296.6420 2295.5122 0.0000 0.0000 51874.3535 -109934.3196 298.1226 -161808.6731 -109561.8802 298.5242 -262.7873 -233.9248 762528.7348 7.7261 7.8826 PRESSURE: 771200 359.949 -68.9997 -55.0274 -68.9994 410.902 104.826 -55.0263 104.826 97.8365 GPRESSURE: 771200 415.699 -135.162 -60.5688 -88.5243 389.921 84.3518 -59.3409 127.261 152.835 PRESSAVG: 771200 -37.8461 -53.4088 -34.3006 -53.4088 67.2769 -14.8039 -34.3006 -14.8039 19.7528 GPRESSAVG: 771200 -37.7043 -51.8393 -35.0866 -54.8113 66.5191 -15.7989 -32.9712 -14.2176 19.6001 TIMING: 771200 CPU: 2425.76, 0.00316708/step Wall: 2425.76, 0.00316708/step, 3.72026 hours remaining, 233.562500 MB of memory in use. ENERGY: 771200 3932.2851 20538.1062 14519.7637 235.9555 -203603.0575 2621.7640 0.0000 0.0000 51971.3677 -109783.8153 298.6802 -161755.1829 -109421.0024 298.5734 289.5628 319.4850 759751.6347 16.3946 16.1383 PRESSURE: 771400 -40.9787 -17.5918 280.876 -17.592 -96.5939 96.1189 280.877 96.1184 250.059 GPRESSURE: 771400 64.4269 5.33239 309.093 -73.4061 -52.79 80.1865 130.431 142.264 194.72 PRESSAVG: 771400 -28.502 -11.6064 9.99479 -11.6063 54.7917 53.6014 9.99477 53.6014 -1.56065 GPRESSAVG: 771400 -28.4811 -12.3546 9.52867 -9.8701 55.2001 55.9269 8.90943 53.019 -2.0487 TIMING: 771400 CPU: 2426.39, 0.00315656/step Wall: 2426.39, 0.00315656/step, 3.70773 hours remaining, 233.562500 MB of memory in use. ENERGY: 771400 4013.8106 20468.2243 14535.1582 235.9497 -203562.2636 2580.3994 0.0000 0.0000 51896.7985 -109831.9230 298.2516 -161728.7214 -109481.4904 298.3985 37.4955 68.7856 760551.3359 8.2430 8.2234 PRESSURE: 771600 50.5273 -149.423 -135.868 -149.424 100.174 68.6244 -135.866 68.6247 -155.415 GPRESSURE: 771600 135.306 -212.444 -67.6542 -70.5567 42.354 96.9177 -106.764 114.973 -112.8 PRESSAVG: 771600 68.9264 29.759 -27.1705 29.759 -55.0148 -64.8231 -27.1705 -64.8231 -14.1556 GPRESSAVG: 771600 68.0968 29.8379 -26.6045 27.5041 -55.9209 -67.1355 -26.1689 -65.5398 -13.4175 TIMING: 771600 CPU: 2427.02, 0.00314543/step Wall: 2427.02, 0.00314543/step, 3.69448 hours remaining, 233.562500 MB of memory in use. ENERGY: 771600 4012.9329 20424.0383 14467.7935 236.8314 -203967.6660 2906.0220 0.0000 0.0000 51956.0213 -109964.0264 298.5920 -161920.0477 -109609.3096 298.6110 -1.5713 21.6202 760135.1103 -0.0813 -0.4139 PRESSURE: 771800 86.3031 -103.367 -203.82 -103.368 104.139 45.1545 -203.82 45.1554 -100.974 GPRESSURE: 771800 209.426 -146.589 -163.661 -90.8318 -19.0247 127.375 -185.712 119.516 -10.1659 PRESSAVG: 771800 -7.04264 -61.1445 6.94111 -61.1445 41.4984 14.174 6.9412 14.174 -2.02298 GPRESSAVG: 771800 -5.27278 -57.9156 5.25302 -62.2438 40.1207 14.2434 6.84534 16.3347 -2.55732 TIMING: 771800 CPU: 2427.64, 0.00314101/step Wall: 2427.64, 0.00314101/step, 3.68912 hours remaining, 233.562500 MB of memory in use. ENERGY: 771800 3971.4498 20559.1129 14498.8045 252.7595 -203681.0635 2621.2707 0.0000 0.0000 52181.3291 -109596.3370 299.8868 -161777.6661 -109224.2401 298.8118 29.8227 60.0785 760996.3498 10.8109 10.7635 PRESSURE: 772000 -263.425 -35.5689 2.73718 -35.569 27.6987 -4.30024 2.73721 -4.30086 -137.773 GPRESSURE: 772000 -212.591 -144.018 69.9767 39.6703 94.397 -72.0042 138.354 85.9107 -155.451 PRESSAVG: 772000 -11.4472 -52.8672 44.961 -52.8672 1.97249 -1.72887 44.961 -1.72885 -7.55428 GPRESSAVG: 772000 -12.5474 -55.6773 47.4905 -51.8196 3.14661 -1.53256 44.0122 -3.9113 -7.81182 TIMING: 772000 CPU: 2428.27, 0.00313621/step Wall: 2428.27, 0.00313621/step, 3.6833 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 772000 4008.1299 20415.7836 14413.0188 267.0659 -203877.3220 2792.9319 0.0000 0.0000 52324.9183 -109655.4737 300.7120 -161980.3920 -109291.1529 299.2416 -124.4997 -91.2147 762164.7500 -5.6763 -5.7375 PRESSURE: 772200 -347.96 25.7963 147.223 25.7955 231.4 332.494 147.224 332.494 -160.469 GPRESSURE: 772200 -236.279 44.4258 70.1804 8.00171 160.28 318.315 224.601 263.329 -134.386 PRESSAVG: 772200 -18.6466 -56.575 72.4682 -56.5751 11.6244 49.9047 72.4683 49.9047 11.4293 GPRESSAVG: 772200 -19.2181 -56.6283 71.1355 -55.6671 12.1481 50.2046 73.4109 50.2935 11.3719 TIMING: 772200 CPU: 2428.9, 0.0031635/step Wall: 2428.9, 0.0031635/step, 3.71518 hours remaining, 233.562500 MB of memory in use. ENERGY: 772200 3952.2349 20587.5707 14477.3544 247.2804 -203734.7898 2761.7137 0.0000 0.0000 52018.4551 -109690.1805 298.9508 -161708.6357 -109326.0910 298.9717 -92.3427 -70.1282 762227.4047 1.4690 1.4340 LDB: ============= START OF LOAD BALANCING ============== 2441.3 LDB: ============== END OF LOAD BALANCING =============== 2441.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2441.3 LDB: ============= START OF LOAD BALANCING ============== 2441.62 LDB: Largest compute 7056 load 0.033717 is 17.2% of average load 0.195828 LDB: Average compute 0.004407 is 2.3% of average load 0.195828 LDB: TIME 2441.62 LOAD: AVG 0.195828 MAX 0.216919 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.766 MB LDB: TIME 2441.63 LOAD: AVG 0.195828 MAX 0.216919 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.766 MB LDB: TIME 2441.63 LOAD: AVG 0.195828 MAX 0.216919 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.766 MB LDB: ============== END OF LOAD BALANCING =============== 2441.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2441.63 PRESSURE: 772400 271.512 -43.0717 98.343 -43.07 -37.1205 81.8912 98.3433 81.8911 121.189 GPRESSURE: 772400 262.801 -153.311 277.3 -16.154 -29.6834 99.1738 97.4448 13.1086 188.415 PRESSAVG: 772400 2.29293 -33.382 26.2006 -33.382 32.3198 -5.84835 26.2006 -5.84831 -9.77017 GPRESSAVG: 772400 1.30839 -33.3398 26.1983 -33.6551 32.4142 -6.68142 25.3985 -4.78117 -8.51634 TIMING: 772400 CPU: 2429.55, 0.00322964/step Wall: 2429.55, 0.00322964/step, 3.79267 hours remaining, 235.101562 MB of memory in use. ENERGY: 772400 3922.1760 20510.2841 14470.1860 243.6792 -203770.6481 2632.8855 0.0000 0.0000 52240.1672 -109751.2701 300.2250 -161991.4373 -109380.5212 299.0154 118.5268 140.5110 760489.6507 8.2808 8.4021 PRESSURE: 772600 -353.162 72.0043 218.084 72.0034 -308.227 -43.5458 218.084 -43.5442 -54.7332 GPRESSURE: 772600 -280.136 122.305 380.549 199.57 -314.482 15.2823 71.2353 -28.0897 -24.463 PRESSAVG: 772600 -5.97413 -7.20573 37.8805 -7.2058 23.9186 -14.0957 37.8805 -14.0957 7.62162 GPRESSAVG: 772600 -3.53921 -6.58198 38.2174 -5.59956 23.2144 -13.5456 39.0973 -14.1717 6.31084 TIMING: 772600 CPU: 2430.18, 0.00316034/step Wall: 2430.18, 0.00316034/step, 3.71112 hours remaining, 235.101562 MB of memory in use. ENERGY: 772600 4034.5723 20580.7600 14427.0016 262.1802 -203314.0028 2368.2197 0.0000 0.0000 51857.5400 -109783.7290 298.0260 -161641.2690 -109421.7653 298.8114 -238.7073 -206.3604 760291.6955 8.5220 8.6620 PRESSURE: 772800 188.014 108.683 -32.5653 108.682 40.0844 306.111 -32.5652 306.111 103.948 GPRESSURE: 772800 189.025 232.711 5.5577 70.8743 99.5883 301.637 -57.8935 129.758 124.914 PRESSAVG: 772800 -7.61292 38.3136 -21.2278 38.3136 36.7516 35.9408 -21.2278 35.9408 11.3331 GPRESSAVG: 772800 -8.78767 37.7843 -22.2488 37.1043 37.6164 36.6477 -20.6847 36.8119 11.949 TIMING: 772800 CPU: 2430.82, 0.00317121/step Wall: 2430.82, 0.00317121/step, 3.72371 hours remaining, 235.101562 MB of memory in use. ENERGY: 772800 4010.4643 20515.6429 14461.6674 253.8373 -203531.3088 2447.5228 0.0000 0.0000 51896.7934 -109945.3806 298.2516 -161842.1740 -109573.1448 298.5330 110.6821 137.8424 760020.6535 13.4906 13.5926 PRESSURE: 773000 102.178 15.5457 -25.2928 15.5454 24.9104 63.5678 -25.2934 63.5672 -78.8669 GPRESSURE: 773000 105.111 -35.6216 3.49552 65.6545 59.8068 132.031 10.6332 26.767 -60.7244 PRESSAVG: 773000 16.2246 22.2296 -29.8653 22.2295 -24.4246 -8.04529 -29.8653 -8.04525 -9.46429 GPRESSAVG: 773000 16.2631 20.7955 -31.0376 21.6548 -24.2458 -7.68543 -30.5871 -8.75156 -10.0596 TIMING: 773000 CPU: 2431.45, 0.00317377/step Wall: 2431.45, 0.00317377/step, 3.72653 hours remaining, 235.101562 MB of memory in use. ENERGY: 773000 3990.6831 20454.0813 14464.5735 259.3736 -203657.0550 2651.5020 0.0000 0.0000 51824.7625 -110012.0790 297.8376 -161836.8414 -109650.8472 297.7180 16.0737 34.7313 760459.7320 -5.8881 -6.0141 PRESSURE: 773200 -176.103 216.239 57.5316 216.24 -148.767 -198.07 57.5327 -198.071 236.982 GPRESSURE: 773200 -86.2272 151.204 20.2031 180.555 -130.504 -202.583 137.946 -89.7366 197.15 PRESSAVG: 773200 1.51797 37.5529 -11.2963 37.5529 -13.6481 -24.5931 -11.2964 -24.5932 4.77353 GPRESSAVG: 773200 1.76557 38.1804 -10.0816 37.3583 -13.8168 -25.5915 -11.9744 -26.2076 4.46713 TIMING: 773200 CPU: 2432.08, 0.00316544/step Wall: 2432.08, 0.00316544/step, 3.71658 hours remaining, 235.101562 MB of memory in use. ENERGY: 773200 3892.4233 20326.0385 14420.7827 235.1925 -203044.3328 2361.2024 0.0000 0.0000 51692.0517 -110116.6417 297.0749 -161808.6934 -109742.0963 297.3156 -29.2961 -6.5272 762075.6023 -2.4522 -2.5280 PRESSURE: 773400 65.9427 -265.283 36.7489 -265.283 39.4354 -57.2018 36.749 -57.2014 131.225 GPRESSURE: 773400 233.083 -214.999 79.3369 -173.599 -64.8545 4.41305 43.9897 -30.5647 161.539 PRESSAVG: 773400 -35.4229 -36.9877 -5.03159 -36.9877 29.515 30.1119 -5.03155 30.1119 -5.53936 GPRESSAVG: 773400 -36.7967 -37.6742 -6.11989 -36.2594 29.057 31.1843 -1.99049 31.0914 -4.32026 TIMING: 773400 CPU: 2432.72, 0.00316227/step Wall: 2432.72, 0.00316227/step, 3.71268 hours remaining, 235.101562 MB of memory in use. ENERGY: 773400 3917.5430 20281.6056 14443.8494 258.1677 -203638.6164 2468.1365 0.0000 0.0000 52029.7417 -110239.5725 299.0156 -162269.3142 -109873.6958 297.3355 78.8676 109.9224 760191.6755 -3.8157 -4.0200 PRESSURE: 773600 -143.639 -103.841 223.867 -103.841 -233.866 11.7491 223.866 11.7495 54.4318 GPRESSURE: 773600 -37.2397 11.4132 198.994 -128.138 -233.278 -26.6872 57.779 123.843 52.514 PRESSAVG: 773600 -15.5245 -28.8483 -28.406 -28.8482 20.8845 18.9956 -28.406 18.9956 9.42066 GPRESSAVG: 773600 -14.35 -27.1464 -27.3397 -28.7933 19.7273 20.0364 -30.0433 18.2255 9.2198 TIMING: 773600 CPU: 2433.35, 0.00318318/step Wall: 2433.35, 0.00318318/step, 3.73706 hours remaining, 235.101562 MB of memory in use. ENERGY: 773600 4013.3098 20369.3971 14445.8225 231.8408 -203954.6030 2790.2707 0.0000 0.0000 51854.9600 -110249.0021 298.0112 -162103.9621 -109885.8830 297.1626 -107.6908 -72.6679 760565.9506 4.9269 4.8657 PRESSURE: 773800 -62.42 -89.1774 -131.653 -89.1774 -472.601 321.867 -131.653 321.867 -52.7046 GPRESSURE: 773800 -48.2224 -113.273 -188.506 -12.1004 -423.11 259.699 28.9429 145.734 -57.0203 PRESSAVG: 773800 3.01909 -15.297 0.875038 -15.297 1.6505 53.4343 0.875021 53.4342 -20.8986 GPRESSAVG: 773800 2.32814 -14.5213 1.13619 -16.0782 1.59907 52.1402 0.680863 53.7427 -20.8674 TIMING: 773800 CPU: 2433.98, 0.00315762/step Wall: 2433.98, 0.00315762/step, 3.70686 hours remaining, 235.101562 MB of memory in use. ENERGY: 773800 3878.9454 20419.2937 14466.7430 256.1883 -202815.0536 2051.2248 0.0000 0.0000 51729.8282 -110012.8301 297.2920 -161742.6583 -109642.5750 297.5418 -195.9084 -176.1174 761634.8334 -5.4097 -5.6467 PRESSURE: 774000 -55.5222 -231.721 -8.46407 -231.721 237.776 56.5322 -8.46348 56.5321 -315.94 GPRESSURE: 774000 45.8778 -160.336 62.5321 -95.9541 195.054 41.0998 12.1356 111.826 -292.708 PRESSAVG: 774000 -5.4466 -13.7248 -9.55729 -13.7248 2.04132 -9.85058 -9.55724 -9.85054 -18.3874 GPRESSAVG: 774000 -5.61189 -16.0698 -7.24942 -11.7906 2.21637 -9.26543 -9.05071 -9.29125 -19.0752 TIMING: 774000 CPU: 2434.62, 0.00315539/step Wall: 2434.62, 0.00315539/step, 3.70407 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 774000 3871.1366 20456.5999 14452.0196 234.0398 -203371.6636 2276.0396 0.0000 0.0000 51915.7747 -110166.0533 298.3607 -162081.8280 -109797.7687 297.7759 -44.5619 -17.2585 760628.0163 -7.2642 -7.4902 PRESSURE: 774200 -62.3662 -198.837 166.059 -198.836 -179.102 80.222 166.059 80.2229 -159.327 GPRESSURE: 774200 -89.3838 -93.9113 74.4146 -237.402 -146.422 118.61 117.553 101.68 -91.3442 PRESSAVG: 774200 22.9658 -32.2019 -14.7069 -32.2019 11.5753 -15.9666 -14.707 -15.9666 8.70387 GPRESSAVG: 774200 22.5901 -30.9302 -18.3497 -35.1134 12.1813 -16.219 -16.1994 -15.6879 8.50561 TIMING: 774200 CPU: 2435.25, 0.00315494/step Wall: 2435.25, 0.00315494/step, 3.70337 hours remaining, 235.101562 MB of memory in use. ENERGY: 774200 4013.1594 20528.2138 14468.3969 237.5307 -203271.6916 2111.1342 0.0000 0.0000 52108.1582 -109805.0984 299.4663 -161913.2566 -109446.5260 297.7477 -133.5984 -109.0500 759542.6832 14.4150 14.4257 PRESSURE: 774400 1.4595 -55.3862 132.661 -55.3866 -445.58 -113.554 132.661 -113.553 -259.076 GPRESSURE: 774400 -21.0815 85.3064 195.851 -124.773 -373.112 -106.19 174.45 -171.738 -207.863 PRESSAVG: 774400 -7.00419 -64.0625 -24.8756 -64.0625 63.5977 -7.57487 -24.8756 -7.57499 -9.25909 GPRESSAVG: 774400 -6.25347 -62.2221 -20.9267 -62.0487 63.6762 -6.41351 -25.5587 -9.11881 -9.41067 TIMING: 774400 CPU: 2435.88, 0.00316557/step Wall: 2435.88, 0.00316557/step, 3.71567 hours remaining, 235.101562 MB of memory in use. ENERGY: 774400 3986.5720 20689.9371 14381.9557 253.1635 -202845.3956 1923.6995 0.0000 0.0000 51912.5192 -109697.5486 298.3420 -161610.0678 -109339.7625 298.3870 -234.3987 -200.6854 760591.2979 15.7782 16.0040 PRESSURE: 774600 5.92889 42.4279 -33.6441 42.4278 -65.5253 49.7344 -33.6441 49.7349 -47.1583 GPRESSURE: 774600 -1.73912 13.8956 -74.2595 5.55973 40.2108 62.4512 -43.5977 -4.17595 -62.6114 PRESSAVG: 774600 -1.26493 -62.9604 -25.0156 -62.9604 -5.94075 35.1384 -25.0156 35.1384 18.8361 GPRESSAVG: 774600 -1.75337 -64.7128 -26.2969 -62.5097 -6.47493 34.4584 -23.8995 37.3585 19.7173 TIMING: 774600 CPU: 2436.51, 0.00315742/step Wall: 2436.51, 0.00315742/step, 3.70594 hours remaining, 235.101562 MB of memory in use. ENERGY: 774600 3962.4338 20585.1614 14508.6824 230.0968 -203179.5043 2538.4080 0.0000 0.0000 52080.0434 -109274.6786 299.3047 -161354.7220 -108908.0007 299.6150 -35.5849 -8.0466 760026.5959 3.8768 3.8297 PRESSURE: 774800 178.386 -55.0483 436.96 -55.0476 159.417 101.168 436.96 101.168 30.993 GPRESSURE: 774800 202.638 -88.0817 469.637 -64.1027 188.095 109.077 414.826 -16.0103 48.774 PRESSAVG: 774800 -3.15824 -26.2111 -21.3341 -26.2111 -6.88282 -6.15848 -21.3341 -6.15851 -33.3816 GPRESSAVG: 774800 -3.79857 -24.8671 -21.6832 -27.3099 -6.3781 -7.36563 -21.707 -7.28966 -32.8677 TIMING: 774800 CPU: 2437.14, 0.00314777/step Wall: 2437.14, 0.00314777/step, 3.69443 hours remaining, 235.101562 MB of memory in use. ENERGY: 774800 4047.7852 20562.9283 14439.9113 243.9360 -203679.5380 2754.0726 0.0000 0.0000 52240.0682 -109390.8365 300.2244 -161630.9046 -109027.0490 299.9896 122.9321 146.5021 758955.3501 -14.4742 -14.3481 PRESSURE: 775000 -151.541 71.0135 -100.421 71.014 236.525 -218.582 -100.422 -218.582 -73.8118 GPRESSURE: 775000 -124.032 37.4925 -12.0959 169.518 260.557 -135.287 -53.9075 -185.136 -32.9286 PRESSAVG: 775000 14.6424 -15.431 -61.16 -15.4311 -30.1905 65.7338 -61.1599 65.7338 -3.13697 GPRESSAVG: 775000 15.5323 -17.0465 -61.5535 -15.7337 -29.9166 66.2474 -60.4134 65.0624 -4.00855 TIMING: 775000 CPU: 2437.77, 0.00313853/step Wall: 2437.77, 0.00313853/step, 3.68341 hours remaining, 235.101562 MB of memory in use. ENERGY: 775000 4015.3007 20548.2565 14441.0897 233.7572 -203567.2883 2806.9695 0.0000 0.0000 52185.8459 -109336.0688 299.9128 -161521.9148 -108979.2648 299.6380 3.7241 34.5318 761672.7389 -6.2284 -6.1310 PRESSURE: 775200 242.609 208.178 -163.736 208.178 -113.715 28.8683 -163.737 28.8682 91.415 GPRESSURE: 775200 240.086 233.123 -16.2603 225.786 -78.5365 19.6863 -220.329 57.9138 138.936 PRESSAVG: 775200 36.9999 28.6678 -5.48758 28.6678 -29.5048 13.1474 -5.48759 13.1474 13.3281 GPRESSAVG: 775200 37.0808 28.7177 -4.77778 30.7334 -29.2618 12.7242 -5.89464 15.5222 12.9545 TIMING: 775200 CPU: 2438.4, 0.00315011/step Wall: 2438.4, 0.00315011/step, 3.69683 hours remaining, 235.101562 MB of memory in use. ENERGY: 775200 3992.6042 20643.5863 14448.0085 223.9911 -203538.5616 2716.2184 0.0000 0.0000 52041.1158 -109473.0374 299.0810 -161514.1531 -109114.2498 299.3698 73.4364 100.1616 760179.8018 6.9411 6.9245 PRESSURE: 775400 -206.966 24.3143 147.975 24.3143 -144.635 116.653 147.974 116.653 -63.0618 GPRESSURE: 775400 -247.484 48.895 133.695 -29.0872 -67.7484 117.142 118.473 79.3083 -12.8388 PRESSAVG: 775400 13.5344 16.8961 6.28708 16.896 20.6269 -11.4959 6.28712 -11.4959 -0.084044 GPRESSAVG: 775400 13.669 15.6391 6.39644 16.9546 18.8249 -11.8761 6.04936 -13.3973 0.939954 TIMING: 775400 CPU: 2439.03, 0.00316903/step Wall: 2439.03, 0.00316903/step, 3.71886 hours remaining, 235.101562 MB of memory in use. ENERGY: 775400 3998.8858 20788.1971 14554.8275 240.2431 -203638.5864 2596.8932 0.0000 0.0000 51908.1349 -109551.4047 298.3168 -161459.5397 -109195.9819 299.7398 -138.2211 -109.3571 760774.2182 11.3591 11.1446 PRESSURE: 775600 72.4829 -93.9019 31.3184 -93.9011 44.9004 -205.856 31.3184 -205.855 22.6019 GPRESSURE: 775600 79.5976 -120.223 -2.47815 -86.7416 107.405 -200.86 -59.2924 -5.25671 57.9462 PRESSAVG: 775600 -29.5245 -11.4767 17.3682 -11.4767 21.9076 -10.6004 17.3683 -10.6003 33.4179 GPRESSAVG: 775600 -29.9022 -10.4462 17.5329 -14.634 22.0641 -8.05329 19.0043 -9.08317 33.1251 TIMING: 775600 CPU: 2439.66, 0.00315958/step Wall: 2439.66, 0.00315958/step, 3.70759 hours remaining, 235.101562 MB of memory in use. ENERGY: 775600 3926.2562 20450.5264 14497.9518 242.4406 -203187.8637 2336.1713 0.0000 0.0000 52185.8711 -109548.6462 299.9129 -161734.5173 -109179.7097 299.1302 46.6617 81.6497 759491.3429 8.6003 8.4290 PRESSURE: 775800 0.95989 -4.58343 246.994 -4.58325 176.473 -122.751 246.994 -122.752 -191.035 GPRESSURE: 775800 55.3331 10.8219 161.28 81.1613 243.848 -63.4823 239.077 -107.93 -206.371 PRESSAVG: 775800 -5.57211 -16.297 -51.5468 -16.297 37.2624 53.5935 -51.5468 53.5936 5.4243 GPRESSAVG: 775800 -5.91815 -17.7836 -52.1361 -12.5868 38.9676 50.0958 -53.2141 52.947 4.92704 TIMING: 775800 CPU: 2440.3, 0.00316187/step Wall: 2440.3, 0.00316187/step, 3.7101 hours remaining, 235.101562 MB of memory in use. ENERGY: 775800 3928.8651 20570.3536 14471.4568 247.1792 -203670.1096 2822.6125 0.0000 0.0000 52118.8204 -109510.8219 299.5276 -161629.6424 -109149.3025 299.3814 -4.5341 30.9366 761693.0538 12.3715 12.6588 PRESSURE: 776000 -235.687 -50.762 -56.4652 -50.7624 109.375 138.193 -56.465 138.192 -206.092 GPRESSURE: 776000 -172.205 56.5315 -64.4124 -157.051 165.723 174.954 -47.6777 111.244 -238.609 PRESSAVG: 776000 -35.2892 -29.446 -0.560531 -29.446 37.3229 53.4336 -0.56055 53.4336 10.7821 GPRESSAVG: 776000 -34.7961 -28.1528 -0.421555 -31.6898 36.4502 54.9152 0.278068 51.9916 10.8692 TIMING: 776000 CPU: 2440.93, 0.00315813/step Wall: 2440.93, 0.00315813/step, 3.70554 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 776000 3947.0573 20703.5535 14511.7680 235.5358 -203214.6700 2512.3653 0.0000 0.0000 51918.0154 -109386.3746 298.3735 -161304.3900 -109030.9167 299.0790 -110.8015 -81.6968 762586.7966 4.2719 4.1744 PRESSURE: 776200 90.7299 -235.105 -5.26588 -235.105 260.298 -81.3542 -5.26618 -81.3549 340.849 GPRESSURE: 776200 61.206 -266.386 -2.47654 -114.039 344.781 -28.477 13.7545 -97.414 392.731 PRESSAVG: 776200 -73.6221 -38.7235 -46.4905 -38.7236 -16.267 -12.8442 -46.4906 -12.8441 -15.0149 GPRESSAVG: 776200 -74.1769 -39.1286 -45.5913 -37.2943 -16.0792 -13.1205 -46.6699 -11.9742 -14.6869 TIMING: 776200 CPU: 2441.56, 0.00315151/step Wall: 2441.56, 0.00315151/step, 3.6976 hours remaining, 235.101562 MB of memory in use. ENERGY: 776200 3974.9693 20553.9059 14503.8922 237.8091 -203236.0337 2511.4889 0.0000 0.0000 52142.3847 -109311.5836 299.6630 -161453.9683 -108959.0185 299.4015 230.6253 266.2395 761494.9141 -34.9680 -34.9810 LDB: ============= START OF LOAD BALANCING ============== 2453.96 LDB: ============== END OF LOAD BALANCING =============== 2453.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2453.96 LDB: ============= START OF LOAD BALANCING ============== 2454.27 LDB: Largest compute 7077 load 0.033778 is 17.2% of average load 0.195855 LDB: Average compute 0.004396 is 2.2% of average load 0.195855 LDB: TIME 2454.28 LOAD: AVG 0.195855 MAX 0.215077 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.746 MB LDB: TIME 2454.28 LOAD: AVG 0.195855 MAX 0.215077 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 2454.28 LOAD: AVG 0.195855 MAX 0.215077 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 2454.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2454.28 PRESSURE: 776400 120.73 8.93107 -11.7814 8.93173 377.756 157.73 -11.7815 157.73 198.401 GPRESSURE: 776400 162.381 64.4763 -15.2396 -48.1935 464.788 177.333 33.9577 109.279 165.626 PRESSAVG: 776400 -19.4703 -59.4395 -67.7775 -59.4394 2.71606 19.5755 -67.7775 19.5755 -5.46924 GPRESSAVG: 776400 -18.4643 -57.7852 -67.9926 -58.1566 3.05649 20.3264 -67.6287 17.8563 -7.45287 TIMING: 776400 CPU: 2442.2, 0.00322058/step Wall: 2442.2, 0.00322057/step, 3.77845 hours remaining, 235.937500 MB of memory in use. ENERGY: 776400 3892.4070 20671.1428 14467.2262 260.0111 -203552.3427 2690.7585 0.0000 0.0000 52156.2019 -109414.5951 299.7424 -161570.7970 -109044.3925 300.1409 232.2957 264.2651 759771.6843 -7.4078 -7.6202 PRESSURE: 776600 178.863 65.3113 58.4998 65.3114 126.802 25.9492 58.5005 25.9486 502.782 GPRESSURE: 776600 117.843 67.2969 31.1173 83.1122 185.143 -16.7843 -75.9637 119.007 586.37 PRESSAVG: 776600 7.75215 -25.0354 -6.78008 -25.0353 -27.2367 29.0615 -6.78001 29.0615 -0.839768 GPRESSAVG: 776600 6.85359 -25.4893 -6.58944 -26.3598 -28.1175 28.9158 -7.50421 30.9739 1.19724 TIMING: 776600 CPU: 2442.83, 0.00315374/step Wall: 2442.83, 0.00315374/step, 3.69986 hours remaining, 235.937500 MB of memory in use. ENERGY: 776600 3942.3731 20699.5447 14457.5813 234.1150 -203754.5092 2724.3408 0.0000 0.0000 52118.8500 -109577.7044 299.5277 -161696.5543 -109219.1594 299.4387 269.4825 296.4519 760599.2429 -6.7748 -6.6889 PRESSURE: 776800 -30.4069 -23.6935 165.777 -23.6936 -23.966 71.6201 165.777 71.619 130.221 GPRESSURE: 776800 74.9062 37.2274 103.826 -30.0001 -77.2261 42.983 307.23 -4.1019 171.987 PRESSAVG: 776800 -27.6334 -0.486429 0.576651 -0.486352 26.1792 -1.67763 0.576646 -1.67758 17.5589 GPRESSAVG: 776800 -27.0477 -0.235603 0.419286 -0.603638 25.6256 -2.33388 1.9744 -2.40503 17.7753 TIMING: 776800 CPU: 2443.47, 0.0031745/step Wall: 2443.47, 0.0031745/step, 3.72404 hours remaining, 235.937500 MB of memory in use. ENERGY: 776800 3949.4712 20552.3722 14457.4434 244.7009 -203601.0806 2661.4466 0.0000 0.0000 52052.8967 -109682.7497 299.1487 -161735.6464 -109320.9233 299.1095 25.2827 56.5559 758353.9438 5.3682 5.4510 PRESSURE: 777000 179.427 50.8246 319.535 50.8251 -110.616 135.443 319.535 135.443 -366.442 GPRESSURE: 777000 209.975 16.7565 299.857 -12.9445 -58.5457 286.448 247.912 181.801 -357.211 PRESSAVG: 777000 54.1901 -5.39075 18.2982 -5.39071 -48.6681 9.6528 18.2982 9.65288 18.8302 GPRESSAVG: 777000 54.1592 -6.27655 18.8723 -5.21007 -47.9233 10.7932 17.387 10.3252 18.0977 TIMING: 777000 CPU: 2444.1, 0.00315438/step Wall: 2444.1, 0.00315438/step, 3.70026 hours remaining, 236.167969 MB of memory in use. ENERGY: 777000 4041.3079 20528.0928 14499.1332 253.5796 -203610.6006 2582.0428 0.0000 0.0000 52192.2802 -109514.1641 299.9498 -161706.4444 -109154.2805 299.2459 -99.2102 -68.5940 760099.0530 8.1174 8.1112 PRESSURE: 777200 195.083 169.244 92.8032 169.243 109.165 82.5593 92.8032 82.5586 -246.148 GPRESSURE: 777200 274.508 113.541 70.6 159.305 111.05 92.4187 67.8711 24.2854 -239.111 PRESSAVG: 777200 23.687 6.91507 -49.5782 6.915 5.08574 8.949 -49.5782 8.94903 33.5319 GPRESSAVG: 777200 25.0374 6.59527 -50.7906 7.56146 3.25721 7.45704 -50.5661 9.09196 33.7557 TIMING: 777200 CPU: 2444.73, 0.00313794/step Wall: 2444.73, 0.00313794/step, 3.6808 hours remaining, 236.167969 MB of memory in use. ENERGY: 777200 4012.3669 20513.7685 14541.3234 260.6245 -204007.2947 2787.1391 0.0000 0.0000 52130.4028 -109761.6695 299.5941 -161892.0723 -109401.0472 299.2485 19.3665 48.8157 758763.7946 20.7682 20.6834 PRESSURE: 777400 313.544 92.1855 -60.2291 92.1854 312.311 -53.0314 -60.2297 -53.031 149.186 GPRESSURE: 777400 351.454 157.917 -65.5271 43.5516 379.024 -42.0107 -98.8231 19.7367 139.156 PRESSAVG: 777400 35.4971 47.6157 0.567188 47.6157 -11.9968 13.2167 0.567133 13.2166 0.161791 GPRESSAVG: 777400 34.711 47.6707 -2.02707 46.596 -11.4896 13.724 0.930296 11.4587 0.581518 TIMING: 777400 CPU: 2445.36, 0.00315503/step Wall: 2445.36, 0.00315503/step, 3.70067 hours remaining, 236.167969 MB of memory in use. ENERGY: 777400 4041.6580 20591.3212 14478.6996 261.4658 -204260.9371 2975.6615 0.0000 0.0000 52166.4968 -109745.6341 299.8016 -161912.1310 -109392.8658 298.8146 258.3468 289.8778 759921.5294 7.8874 7.9343 PRESSURE: 777600 -83.5395 255.94 -56.0119 255.94 -35.6979 133.206 -56.0127 133.205 -562.641 GPRESSURE: 777600 9.21381 166.84 19.7813 65.2765 -160.544 123.808 47.3329 69.5922 -461.375 PRESSAVG: 777600 51.5668 -0.418984 -11.4696 -0.419002 -6.6899 -13.9868 -11.4695 -13.9867 -18.3648 GPRESSAVG: 777600 52.1021 -0.734813 -8.48984 -1.25686 -7.51887 -14.3214 -10.6192 -13.2737 -18.0346 TIMING: 777600 CPU: 2445.99, 0.00315412/step Wall: 2445.99, 0.00315412/step, 3.69943 hours remaining, 236.167969 MB of memory in use. ENERGY: 777600 4025.0541 20580.6683 14419.1679 248.6472 -203592.2361 2499.6661 0.0000 0.0000 51882.6585 -109936.3740 298.1704 -161819.0325 -109572.4823 299.2337 -227.2929 -204.2349 760430.8756 8.8374 8.8495 PRESSURE: 777800 439.498 -97.9933 -119.301 -97.9934 192.594 128.006 -119.3 128.005 471.478 GPRESSURE: 777800 320.647 -36.3999 -123.07 16.7845 289.703 218.667 -102.395 178.394 583.731 PRESSAVG: 777800 14.7404 35.046 -18.3602 35.046 14.4076 32.9504 -18.3602 32.9504 28.4842 GPRESSAVG: 777800 13.1131 34.9776 -18.1589 37.1252 16.2591 35.6407 -19.3876 32.8939 28.7439 TIMING: 777800 CPU: 2446.62, 0.00315229/step Wall: 2446.62, 0.00315229/step, 3.69711 hours remaining, 236.167969 MB of memory in use. ENERGY: 777800 3994.5588 20289.7647 14472.4873 244.0805 -204105.3978 3077.4598 0.0000 0.0000 52069.3407 -109957.7060 299.2432 -162027.0467 -109597.0703 298.4216 367.8565 398.0271 760073.7727 19.2107 19.3721 PRESSURE: 778000 68.4046 -182.598 -76.2717 -182.599 80.9802 35.5929 -76.2722 35.5934 -192.805 GPRESSURE: 778000 101.327 -109.787 -175.791 -124.055 71.4586 121.836 -23.72 -14.0008 -123.392 PRESSAVG: 778000 -92.1475 -16.4956 -1.78387 -16.4956 33.1909 -7.62246 -1.78383 -7.62244 -2.25744 GPRESSAVG: 778000 -91.621 -14.7555 -1.89771 -18.9899 33.0603 -9.97993 -1.90586 -5.77817 -2.30527 TIMING: 778000 CPU: 2447.25, 0.00315401/step Wall: 2447.25, 0.00315401/step, 3.69896 hours remaining, 236.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 778000 4002.2465 20471.3182 14497.1848 246.0811 -203405.9610 2534.5645 0.0000 0.0000 51742.9471 -109911.6188 297.3674 -161654.5659 -109551.7416 298.2824 -14.4733 16.4646 761068.4696 -20.4047 -20.2887 PRESSURE: 778200 -311.328 86.4185 84.1303 86.4186 -275.141 -135.57 84.1304 -135.571 19.4049 GPRESSURE: 778200 -242.961 135.349 51.0901 84.5832 -218.68 -134.854 -74.8478 -118.234 -29.1941 PRESSAVG: 778200 -27.0888 31.7685 24.414 31.7685 8.26441 12.3459 24.4141 12.3459 7.6075 GPRESSAVG: 778200 -27.7269 31.921 22.9567 32.8661 10.0539 11.778 24.3859 12.4489 6.84546 TIMING: 778200 CPU: 2447.88, 0.00315903/step Wall: 2447.88, 0.00315903/step, 3.70466 hours remaining, 236.167969 MB of memory in use. ENERGY: 778200 4001.1054 20316.5107 14451.9894 240.5537 -203240.5528 2242.0477 0.0000 0.0000 52087.2831 -109901.0628 299.3463 -161988.3459 -109538.7585 297.9295 -189.0215 -163.6115 761051.2016 -3.7390 -3.6092 PRESSURE: 778400 48.8041 -345.942 -88.2808 -345.942 -26.2498 -229.785 -88.2814 -229.785 85.7081 GPRESSURE: 778400 146.709 -342.821 -0.437902 -446.725 3.3111 -144.049 -133.075 -198.668 50.4606 PRESSAVG: 778400 -86.5071 -12.5271 40.612 -12.5272 10.0035 7.95356 40.6121 7.95348 -15.4854 GPRESSAVG: 778400 -85.2557 -15.6713 43.6542 -12.5302 9.33915 7.57445 41.1119 7.99688 -16.0456 TIMING: 778400 CPU: 2448.51, 0.00315863/step Wall: 2448.51, 0.00315863/step, 3.70401 hours remaining, 236.167969 MB of memory in use. ENERGY: 778400 3911.3738 20503.8872 14463.2351 262.2705 -203330.4274 2594.0075 0.0000 0.0000 51810.6025 -109785.0507 297.7562 -161595.6532 -109431.5921 298.4686 36.0874 66.8268 761260.4400 -30.6630 -30.6541 PRESSURE: 778600 -82.3039 -29.2699 70.399 -29.27 -269.115 -69.9263 70.3989 -69.927 -132.768 GPRESSURE: 778600 -181.764 -114.081 69.3585 -56.0545 -196.326 -88.5661 24.8127 -42.9897 -17.0356 PRESSAVG: 778600 -15.7886 -20.6823 -8.49614 -20.6822 37.8902 -11.5298 -8.49615 -11.5298 -1.22972 GPRESSAVG: 778600 -16.1966 -18.4937 -10.027 -19.7291 36.0941 -10.8269 -8.92951 -10.8733 0.638911 TIMING: 778600 CPU: 2449.15, 0.00316202/step Wall: 2449.15, 0.00316202/step, 3.70783 hours remaining, 236.167969 MB of memory in use. ENERGY: 778600 4003.4838 20535.9185 14464.2598 241.4307 -203226.7471 2365.7293 0.0000 0.0000 51982.6146 -109633.3103 298.7448 -161615.9249 -109288.6770 298.8171 -161.3955 -131.7085 760388.7343 6.9573 6.8455 PRESSURE: 778800 -211.144 336.995 68.6855 336.995 99.4124 -93.4966 68.6854 -93.497 180.852 GPRESSURE: 778800 -150.068 174.213 104.331 435.789 188.717 -53.0743 152.027 -115.383 105.578 PRESSAVG: 778800 -26.3565 35.2431 -17.6198 35.2431 -18.0077 4.29637 -17.6197 4.29638 4.27409 GPRESSAVG: 778800 -26.0825 35.7572 -17.3914 35.1878 -16.0395 5.13455 -14.9458 1.73742 2.0198 TIMING: 778800 CPU: 2449.78, 0.00317202/step Wall: 2449.78, 0.00317202/step, 3.71936 hours remaining, 236.167969 MB of memory in use. ENERGY: 778800 4008.3002 20490.1966 14460.6480 253.3521 -203583.6621 2717.6321 0.0000 0.0000 51955.2342 -109698.2989 298.5874 -161653.5331 -109337.8559 298.0933 23.0402 48.0757 761449.3798 -13.3634 -13.3674 PRESSURE: 779000 -261.496 -169.258 138.305 -169.257 73.5516 -118.828 138.305 -118.829 -325.52 GPRESSURE: 779000 -250.934 -107.196 63.4932 -137.223 98.567 -93.0116 48.7187 -264.19 -283.698 PRESSAVG: 779000 -9.40731 36.67 -77.1802 36.67 24.7067 -0.10826 -77.1802 -0.108356 15.0693 GPRESSAVG: 779000 -9.77867 35.4728 -76.7354 35.8469 23.5076 0.12831 -80.1695 -1.53384 16.3515 TIMING: 779000 CPU: 2450.41, 0.00315588/step Wall: 2450.41, 0.00315588/step, 3.70027 hours remaining, 236.304688 MB of memory in use. ENERGY: 779000 3950.2235 20579.8555 14397.2398 262.8152 -203015.7327 2309.0891 0.0000 0.0000 51899.9048 -109616.6048 298.2695 -161516.5095 -109270.0730 298.5071 -171.1548 -145.3550 761583.8043 10.1229 10.0268 PRESSURE: 779200 -267.357 232.507 177.677 232.506 -99.5849 -13.7546 177.676 -13.7545 335.324 GPRESSURE: 779200 -210.614 236.75 167.235 249.443 -43.3664 44.3752 193.847 16.6223 317.282 PRESSAVG: 779200 -48.9287 -59.857 22.983 -59.8569 14.8645 -23.5384 22.983 -23.5384 -10.8557 GPRESSAVG: 779200 -48.7644 -60.15 21.9632 -58.4019 14.7149 -24.5947 23.7797 -22.1329 -10.6049 TIMING: 779200 CPU: 2451.04, 0.00315791/step Wall: 2451.04, 0.00315791/step, 3.70248 hours remaining, 236.304688 MB of memory in use. ENERGY: 779200 3828.9603 20468.6054 14469.1154 249.3016 -203062.8232 2221.1679 0.0000 0.0000 51908.2012 -109917.4714 298.3171 -161825.6725 -109551.1910 298.0573 -10.5395 21.1006 761348.2493 -14.9733 -14.8848 PRESSURE: 779400 -155.002 -138.734 -121.269 -138.734 -287.591 133.016 -121.269 133.016 -529.049 GPRESSURE: 779400 -149.967 -173.496 -70.6883 -80.4764 -251.455 127.019 -63.1153 181.867 -465.812 PRESSAVG: 779400 -46.1887 -9.93196 14.5535 -9.932 0.0584797 14.6038 14.5535 14.6038 -10.3093 GPRESSAVG: 779400 -45.5995 -7.5303 15.9681 -13.355 -0.768118 13.5212 13.7318 14.9714 -10.0607 TIMING: 779400 CPU: 2451.67, 0.00315552/step Wall: 2451.67, 0.00315552/step, 3.6995 hours remaining, 236.304688 MB of memory in use. ENERGY: 779400 3984.2656 20615.2616 14433.6452 259.0203 -203026.0626 2090.6257 0.0000 0.0000 51739.4788 -109903.7656 297.3475 -161643.2444 -109551.1246 297.7916 -323.8805 -289.0781 762993.0998 -18.8132 -18.8095 PRESSURE: 779600 52.1688 -73.808 -217.422 -73.8075 53.5396 -170.761 -217.422 -170.76 87.2508 GPRESSURE: 779600 71.3693 -134.079 -248.464 -117.557 91.3402 -108.059 -199.772 -58.5788 133.875 PRESSAVG: 779600 -8.00605 -76.9186 -22.2053 -76.9185 23.4061 24.323 -22.2053 24.3229 30.0683 GPRESSAVG: 779600 -8.25978 -78.7554 -23.0104 -73.4519 23.6461 25.7969 -20.9312 24.1545 29.8642 TIMING: 779600 CPU: 2452.31, 0.00316965/step Wall: 2452.31, 0.00316965/step, 3.71588 hours remaining, 236.304688 MB of memory in use. ENERGY: 779600 3904.1976 20630.0050 14465.0610 232.8786 -203604.4560 2650.5292 0.0000 0.0000 51768.7101 -109953.0744 297.5155 -161721.7845 -109592.2553 297.8758 64.3197 98.8616 761419.0552 15.1561 15.0835 PRESSURE: 779800 71.488 -89.6618 41.1223 -89.6621 217.245 -123.535 41.1228 -123.534 69.7611 GPRESSURE: 779800 166.281 -50.161 156.731 -145.582 244.605 -90.8411 13.9039 -40.4118 21.7894 PRESSAVG: 779800 -19.22 -35.2047 15.1518 -35.2048 6.69578 -34.3322 15.1517 -34.3322 -5.85567 GPRESSAVG: 779800 -18.9436 -34.3603 15.1507 -37.9111 7.57209 -36.8616 14.4069 -33.4356 -7.49798 TIMING: 779800 CPU: 2452.94, 0.00316973/step Wall: 2452.94, 0.00316973/step, 3.7158 hours remaining, 236.304688 MB of memory in use. ENERGY: 779800 3827.2273 20440.4396 14479.6052 255.5140 -203848.1435 2703.6091 0.0000 0.0000 52038.5021 -110103.2463 299.0660 -162141.7484 -109744.5145 297.4696 119.4982 144.2252 760594.9058 -6.1266 -6.2898 PRESSURE: 780000 404.395 36.9356 138.143 36.9353 -71.33 -18.3528 138.143 -18.3527 -163.652 GPRESSURE: 780000 371.214 69.1519 150.356 37.9181 62.957 -65.7964 205.672 -134.053 -177.047 PRESSAVG: 780000 -12.4335 -83.708 28.0477 -83.7079 14.9545 21.7123 28.0476 21.7123 11.1384 GPRESSAVG: 780000 -13.4565 -82.4004 28.8258 -83.3911 14.4921 25.2537 28.8741 19.8045 12.5254 TIMING: 780000 CPU: 2453.57, 0.0031427/step Wall: 2453.57, 0.0031427/step, 3.68395 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 780000 3980.0900 20372.3054 14358.8010 249.2221 -203801.1212 2740.4173 0.0000 0.0000 52134.6471 -109965.6384 299.6185 -162100.2855 -109606.8642 298.0352 56.4711 85.7078 762137.8036 4.5531 4.5204 PRESSURE: 780200 -84.1781 -168.771 -19.2671 -168.771 229.456 151.014 -19.2678 151.013 -258.624 GPRESSURE: 780200 -84.5113 -99.6862 -60.1947 -211.94 256.407 100.537 -77.1772 -18.4135 -218.477 PRESSAVG: 780200 -42.3291 -56.9702 3.23823 -56.9702 57.6297 -7.94448 3.23827 -7.94445 -7.93241 GPRESSAVG: 780200 -41.5223 -56.5566 3.29874 -56.6835 57.9813 -10.3411 1.32425 -8.78925 -8.95006 TIMING: 780200 CPU: 2454.2, 0.00313808/step Wall: 2454.2, 0.00313808/step, 3.67835 hours remaining, 236.304688 MB of memory in use. ENERGY: 780200 3932.0668 20416.6461 14485.8185 251.7367 -203710.4704 2776.5829 0.0000 0.0000 51876.6231 -109970.9964 298.1357 -161847.6195 -109607.4411 298.4978 -37.7819 -15.5273 763255.1675 2.4561 2.5030 LDB: ============= START OF LOAD BALANCING ============== 2466.6 LDB: ============== END OF LOAD BALANCING =============== 2466.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2466.6 LDB: ============= START OF LOAD BALANCING ============== 2466.91 LDB: Largest compute 7077 load 0.033117 is 16.9% of average load 0.195822 LDB: Average compute 0.004388 is 2.2% of average load 0.195822 LDB: TIME 2466.92 LOAD: AVG 0.195822 MAX 0.218281 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.383 MB LDB: TIME 2466.92 LOAD: AVG 0.195822 MAX 0.218281 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.383 MB LDB: TIME 2466.92 LOAD: AVG 0.195822 MAX 0.218281 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.383 MB LDB: ============== END OF LOAD BALANCING =============== 2466.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2466.92 PRESSURE: 780400 -86.5145 -186.74 213.389 -186.739 55.441 -119.145 213.389 -119.146 105.477 GPRESSURE: 780400 -53.7615 -155.808 256.565 -99.5419 57.1983 -94.9408 180.27 9.76474 137.236 PRESSAVG: 780400 -6.65815 -1.71755 52.3512 -1.71755 16.2756 -7.95867 52.3512 -7.95868 -5.52418 GPRESSAVG: 780400 -8.5078 -1.97308 50.9127 -1.71825 16.9846 -6.75655 51.7088 -8.66204 -4.92867 TIMING: 780400 CPU: 2454.84, 0.00322082/step Wall: 2454.84, 0.00322082/step, 3.77516 hours remaining, 233.894531 MB of memory in use. ENERGY: 780400 3968.1006 20484.7317 14430.4355 254.3027 -203526.5233 2496.7846 0.0000 0.0000 51976.7871 -109915.3811 298.7113 -161892.1682 -109568.3635 298.4961 24.8011 46.8911 761541.4506 1.3644 1.1827 PRESSURE: 780600 -91.9442 1.25272 -0.589823 1.25286 -71.6286 30.824 -0.588884 30.8247 -362.42 GPRESSURE: 780600 -23.526 38.6044 34.0382 77.9492 -66.8571 68.5632 -37.2997 -5.05457 -335.298 PRESSAVG: 780600 31.4968 -33.9965 28.8989 -33.9965 -51.624 -16.3861 28.8989 -16.3862 12.7598 GPRESSAVG: 780600 32.8034 -36.7251 30.0401 -33.025 -52.9987 -16.1201 30.0317 -14.2374 12.6797 TIMING: 780600 CPU: 2455.47, 0.00313938/step Wall: 2455.47, 0.00313938/step, 3.67953 hours remaining, 234.097656 MB of memory in use. ENERGY: 780600 3909.0571 20593.2144 14487.9578 259.7317 -203444.4841 2507.5707 0.0000 0.0000 51746.2580 -109940.6944 297.3865 -161686.9524 -109586.4179 298.3284 -175.3311 -141.8937 761758.1316 -2.4558 -2.5052 PRESSURE: 780800 -41.1757 -100.62 -88.7097 -100.621 119.029 217.859 -88.7088 217.859 102.232 GPRESSURE: 780800 -106.328 -83.4829 -89.6751 -77.8048 163.853 169.388 -172.948 116.171 215.924 PRESSAVG: 780800 -14.46 -12.9178 28.8181 -12.9178 7.29363 24.1228 28.8181 24.1227 -8.96324 GPRESSAVG: 780800 -14.4322 -11.0378 28.419 -13.1276 7.53582 22.5125 30.0482 23.5542 -9.30749 TIMING: 780800 CPU: 2456.1, 0.00314624/step Wall: 2456.1, 0.00314624/step, 3.68739 hours remaining, 234.097656 MB of memory in use. ENERGY: 780800 4002.8598 20463.6360 14471.2642 246.3471 -203511.4045 2490.4987 0.0000 0.0000 51998.5092 -109838.2895 298.8361 -161836.7986 -109492.1487 298.4338 60.0285 91.1495 760506.1887 -5.3765 -5.4013 PRESSURE: 781000 430.034 -99.1275 135.079 -99.1266 135.098 229.749 135.078 229.749 -56.4802 GPRESSURE: 781000 387.567 -47.4034 91.2658 3.63169 219.664 205.301 141.077 174.458 7.95909 PRESSAVG: 781000 26.9545 17.1214 60.5218 17.1215 -13.099 -15.5278 60.5219 -15.5277 -25.8208 GPRESSAVG: 781000 26.0435 17.0141 59.3738 16.4872 -12.3336 -15.4827 60.2575 -14.5753 -25.3817 TIMING: 781000 CPU: 2456.73, 0.00313102/step Wall: 2456.73, 0.00313102/step, 3.66938 hours remaining, 234.097656 MB of memory in use. ENERGY: 781000 3934.0235 20214.6613 14475.5308 261.0982 -203691.8332 2806.7897 0.0000 0.0000 52175.7786 -109823.9511 299.8549 -161999.7297 -109462.8534 298.7893 169.5504 205.0635 759497.9989 -3.9884 -3.8906 PRESSURE: 781200 -209.949 -232.862 -156.1 -232.862 -252.694 -44.8844 -156.1 -44.8859 342.771 GPRESSURE: 781200 -67.2589 -211.793 -8.49381 -288.593 -219.741 -100.118 -71.3587 -134.527 262.926 PRESSAVG: 781200 -25.6946 -45.2163 39.7047 -45.2162 -12.532 23.4266 39.7047 23.4266 -8.63686 GPRESSAVG: 781200 -26.196 -46.325 42.0515 -44.296 -11.851 23.7557 38.5213 22.1233 -9.59717 TIMING: 781200 CPU: 2457.35, 0.00313761/step Wall: 2457.35, 0.00313761/step, 3.67693 hours remaining, 234.097656 MB of memory in use. ENERGY: 781200 4028.0265 20459.0342 14390.9911 235.2472 -203247.9563 2374.0736 0.0000 0.0000 52102.5232 -109658.0605 299.4339 -161760.5837 -109304.2800 298.9108 -39.9575 -8.0246 762719.6120 -15.6211 -15.8814 PRESSURE: 781400 -344.847 53.5215 -186.203 53.5219 47.2719 -93.9548 -186.203 -93.9549 -454.579 GPRESSURE: 781400 -131.13 34.1511 -72.6187 32.3554 -29.855 -221.255 -282.712 99.544 -491.813 PRESSAVG: 781400 -20.8542 -78.0898 2.79163 -78.0898 13.5806 -7.24627 2.79169 -7.24629 -12.1453 GPRESSAVG: 781400 -19.9418 -78.4437 2.25163 -78.0062 13.1711 -8.5244 4.56265 -5.82327 -12.8301 TIMING: 781400 CPU: 2457.98, 0.00314818/step Wall: 2457.98, 0.00314818/step, 3.68914 hours remaining, 234.097656 MB of memory in use. ENERGY: 781400 4026.6522 20494.0690 14361.2866 225.8428 -203484.5723 2471.0377 0.0000 0.0000 52187.7588 -109717.9253 299.9238 -161905.6840 -109354.7794 299.1838 -250.7180 -217.5996 761449.3682 -6.4730 -6.5336 PRESSURE: 781600 104.053 -138.127 211.658 -138.128 21.4397 -55.7617 211.659 -55.7607 108.983 GPRESSURE: 781600 -0.669182 -54.2297 164.254 -141.294 155.259 -36.9746 144.014 72.5589 151.788 PRESSAVG: 781600 -36.5471 -24.4679 9.03646 -24.4678 -6.31555 -29.0096 9.03657 -29.0095 3.58432 GPRESSAVG: 781600 -37.508 -22.1322 8.96903 -25.0543 -6.92969 -28.6118 7.38441 -29.1661 4.88577 TIMING: 781600 CPU: 2458.62, 0.00316709/step Wall: 2458.62, 0.00316709/step, 3.71113 hours remaining, 234.097656 MB of memory in use. ENERGY: 781600 4004.4830 20497.4066 14475.2817 234.8126 -203367.8801 2455.4065 0.0000 0.0000 51791.4043 -109909.0855 297.6459 -161700.4898 -109557.6632 298.2838 78.1589 102.1260 762190.3223 -13.0928 -13.1840 PRESSURE: 781800 189.825 -4.59259 -84.5523 -4.59283 -76.3374 64.3576 -84.5514 64.3577 36.5007 GPRESSURE: 781800 145.021 -10.0186 3.71912 137.654 -74.1752 15.7776 -43.1216 -14.8249 140.158 PRESSAVG: 781800 7.18539 -16.571 -8.35789 -16.5709 -5.28344 -11.1192 -8.35788 -11.1192 -3.57624 GPRESSAVG: 781800 8.7081 -18.8628 -7.75569 -14.8743 -6.14806 -9.16634 -7.14803 -12.7062 -4.28758 TIMING: 781800 CPU: 2459.24, 0.00313674/step Wall: 2459.24, 0.00313674/step, 3.67538 hours remaining, 234.097656 MB of memory in use. ENERGY: 781800 3906.0831 20522.8558 14450.9774 239.1085 -203845.2362 2685.7883 0.0000 0.0000 51843.5653 -110196.8579 297.9457 -162040.4232 -109840.0726 297.9349 49.9961 70.3347 761744.6946 -0.5581 -0.5758 PRESSURE: 782000 -141.691 -41.5826 96.0749 -41.5814 -207.179 54.9628 96.0751 54.9621 -30.1523 GPRESSURE: 782000 -172.858 37.8333 90.0969 11.318 -27.6698 -18.9226 61.9549 48.5787 -80.475 PRESSAVG: 782000 25.7116 -63.8973 30.8483 -63.8973 -49.2033 -1.28043 30.8483 -1.28038 -11.1662 GPRESSAVG: 782000 24.6311 -63.7454 28.9624 -66.0144 -47.5424 -1.55374 29.4113 -0.0611658 -11.6146 TIMING: 782000 CPU: 2459.87, 0.00312792/step Wall: 2459.87, 0.00312792/step, 3.66488 hours remaining, 234.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 782000 3972.5161 20338.3755 14484.9091 235.9894 -203666.1427 2480.7794 0.0000 0.0000 51999.6793 -110153.8938 298.8429 -162153.5731 -109797.8364 297.4896 -126.3408 -93.6677 763073.8249 -11.5526 -11.5086 PRESSURE: 782200 -281.562 -408.166 20.0026 -408.165 -7.06055 -126.927 20.003 -126.927 78.4311 GPRESSURE: 782200 -210.418 -300.622 -21.3672 -231.79 -99.5712 -135.41 105.754 -226.367 189.247 PRESSAVG: 782200 17.6513 -63.1746 34.5196 -63.1747 -2.10056 -16.9882 34.5196 -16.9882 -15.8354 GPRESSAVG: 782200 16.4986 -60.6238 34.3361 -63.1303 -2.49344 -18.5157 36.1155 -16.578 -14.6068 TIMING: 782200 CPU: 2460.5, 0.00316296/step Wall: 2460.5, 0.00316296/step, 3.70576 hours remaining, 234.097656 MB of memory in use. ENERGY: 782200 3987.2850 20474.1837 14399.6026 236.2795 -203705.4378 2545.8365 0.0000 0.0000 51905.7750 -110156.4755 298.3032 -162062.2504 -109791.4762 297.6782 -70.0639 -40.2474 760642.9120 -0.0949 -0.2006 PRESSURE: 782400 47.7297 -81.2111 2.73011 -81.2112 -189.256 -3.92965 2.72986 -3.93028 119.758 GPRESSURE: 782400 95.5956 -116.49 111.319 -154.834 -111.258 -10.5277 -69.4675 56.4874 67.059 PRESSAVG: 782400 48.8567 -8.78048 45.1323 -8.78042 -25.8741 12.893 45.1323 12.893 19.4892 GPRESSAVG: 782400 50.4754 -11.7413 47.4485 -9.0938 -25.7148 13.5946 43.9929 10.5669 17.7166 TIMING: 782400 CPU: 2461.13, 0.00314876/step Wall: 2461.13, 0.00314876/step, 3.68895 hours remaining, 234.097656 MB of memory in use. ENERGY: 782400 3911.7191 20556.4595 14365.9715 247.7546 -203717.1348 2637.4864 0.0000 0.0000 51930.0282 -110067.7154 298.4426 -161997.7436 -109703.1646 298.5104 -7.2559 17.1323 760486.2208 14.1573 14.1590 PRESSURE: 782600 -146.894 -308.599 -122.531 -308.6 -322.19 -148.969 -122.532 -148.969 310.435 GPRESSURE: 782600 -107.445 -313.499 -92.4827 -352.933 -239.199 -89.0617 -75.6479 -4.22856 253.447 PRESSAVG: 782600 9.94946 -12.7077 -16.0888 -12.7077 -37.3758 14.498 -16.0888 14.4979 20.7446 GPRESSAVG: 782600 9.46581 -11.54 -17.7266 -13.8859 -37.5995 15.4607 -15.8275 16.3576 21.6599 TIMING: 782600 CPU: 2461.76, 0.00313908/step Wall: 2461.76, 0.00313908/step, 3.67743 hours remaining, 234.097656 MB of memory in use. ENERGY: 782600 3951.1997 20557.3871 14464.7857 252.2041 -203339.5770 2562.4554 0.0000 0.0000 51819.4919 -109732.0533 297.8073 -161551.5451 -109376.4196 298.7595 -52.8827 -31.0658 761186.9674 -2.2272 -2.1579 PRESSURE: 782800 -78.7506 16.9475 -44.8514 16.9477 -280.216 57.6179 -44.8518 57.6183 -236.201 GPRESSURE: 782800 -71.4205 -33.5623 -28.3274 -36.5534 -226.026 -43.0896 -117.012 69.1983 -204.744 PRESSAVG: 782800 10.0859 0.00105784 -24.6451 0.00102927 -21.5136 35.5883 -24.6451 35.5883 6.2363 GPRESSAVG: 782800 11.2002 -0.0456688 -24.6151 2.9189 -21.258 33.8002 -24.1933 36.8407 5.4706 TIMING: 782800 CPU: 2462.38, 0.00312896/step Wall: 2462.38, 0.00312896/step, 3.6654 hours remaining, 234.097656 MB of memory in use. ENERGY: 782800 3929.6799 20590.5382 14347.8786 257.9758 -203107.0329 2448.9924 0.0000 0.0000 51816.8068 -109715.1612 297.7919 -161531.9680 -109350.7342 298.6236 -198.3892 -167.3968 761293.2257 -1.7304 -1.5291 PRESSURE: 783000 -88.3841 -39.4267 70.8433 -39.4277 -105.338 106.46 70.8437 106.459 -408.434 GPRESSURE: 783000 -102.976 59.2273 53.7762 -32.5185 -102.965 92.3104 127.263 146.14 -325.454 PRESSAVG: 783000 63.0612 -51.1652 -27.0433 -51.1652 -55.9762 1.80131 -27.0433 1.8014 -12.8703 GPRESSAVG: 783000 62.5436 -52.2868 -28.7431 -51.2161 -56.0654 1.70566 -26.3231 0.574601 -11.7827 TIMING: 783000 CPU: 2463.01, 0.00311749/step Wall: 2463.01, 0.00311749/step, 3.65179 hours remaining, 234.097656 MB of memory in use. ENERGY: 783000 3960.2650 20368.3157 14499.9607 233.1111 -202957.9096 2202.7822 0.0000 0.0000 51745.1569 -109948.3181 297.3801 -161693.4750 -109591.4306 298.9995 -200.7187 -177.1314 762523.2605 -1.9284 -1.7682 PRESSURE: 783200 13.6702 -198.82 -75.4677 -198.82 147.713 4.326 -75.468 4.3254 111.201 GPRESSURE: 783200 -75.5042 -158.465 -61.5516 -174.632 224.847 -66.5039 -76.4201 81.2902 191.223 PRESSAVG: 783200 50.1461 -44.0582 -29.1131 -44.0583 -33.4942 -2.82179 -29.1131 -2.82177 22.7551 GPRESSAVG: 783200 49.3025 -43.4994 -27.2583 -43.5178 -33.2535 -1.93708 -28.6752 -1.24833 23.1738 TIMING: 783200 CPU: 2463.63, 0.00313286/step Wall: 2463.63, 0.00313286/step, 3.66962 hours remaining, 234.097656 MB of memory in use. ENERGY: 783200 3951.4483 20571.1289 14403.5493 238.9109 -203509.4826 2640.3890 0.0000 0.0000 51863.9483 -109840.1081 298.0628 -161704.0564 -109483.5154 298.5302 90.8614 113.5220 761582.1178 13.1356 13.0743 PRESSURE: 783400 -30.5267 20.8965 178.452 20.8959 129.748 14.7577 178.452 14.7581 -196.841 GPRESSURE: 783400 -16.9856 60.4182 139.453 -34.1624 171.369 -31.1956 59.184 94.3512 -180.838 PRESSAVG: 783400 -23.9084 -47.4625 -14.4309 -47.4625 6.57281 25.4188 -14.4309 25.4188 11.3831 GPRESSAVG: 783400 -23.2458 -46.3461 -13.5953 -48.6582 6.67963 26.2757 -17.1934 24.8182 10.8125 TIMING: 783400 CPU: 2464.26, 0.00314919/step Wall: 2464.26, 0.00314919/step, 3.68858 hours remaining, 234.097656 MB of memory in use. ENERGY: 783400 3987.5377 20439.9764 14477.9963 231.7469 -203552.9078 2461.7204 0.0000 0.0000 51781.7012 -110172.2288 297.5901 -161953.9300 -109798.5175 298.0984 -32.5399 -8.8182 760188.7672 -1.9841 -1.9179 PRESSURE: 783600 -252.496 -114.641 119.042 -114.64 26.3189 161.073 119.041 161.074 225.381 GPRESSURE: 783600 -166.587 -124.123 49.8423 -114.115 97.7726 181.336 194.746 152.153 147.951 PRESSAVG: 783600 -6.59754 -11.2624 -16.5674 -11.2625 24.3671 -23.5032 -16.5673 -23.5033 -20.2627 GPRESSAVG: 783600 -5.2401 -13.0301 -17.8938 -11.3575 23.2731 -22.5363 -15.1381 -24.973 -20.5377 TIMING: 783600 CPU: 2464.89, 0.00312693/step Wall: 2464.89, 0.00312693/step, 3.66233 hours remaining, 234.097656 MB of memory in use. ENERGY: 783600 3979.8204 20322.4815 14414.3744 250.1343 -203234.3105 2346.1834 0.0000 0.0000 51721.4119 -110199.9045 297.2437 -161921.3164 -109839.4765 297.3117 -0.2654 26.3788 760468.0424 -0.8310 -0.8349 PRESSURE: 783800 6.69483 -142.082 -67.9662 -142.083 189.163 -142.894 -67.9665 -142.894 -297.448 GPRESSURE: 783800 -17.0908 -221.67 -98.8884 -35.4423 258.233 -233.468 5.54851 -187.858 -268.659 PRESSAVG: 783800 4.57157 -16.0836 -52.9475 -16.0836 8.0475 30.7266 -52.9475 30.7266 29.9177 GPRESSAVG: 783800 3.03825 -14.2185 -52.7524 -16.8844 9.08716 28.9835 -51.3951 28.6758 30.3821 TIMING: 783800 CPU: 2465.52, 0.00313859/step Wall: 2465.52, 0.00313859/step, 3.67582 hours remaining, 234.097656 MB of memory in use. ENERGY: 783800 4035.6508 20419.2275 14408.1870 229.3903 -203497.1370 2655.8108 0.0000 0.0000 51622.3148 -110126.5558 296.6742 -161748.8706 -109774.2930 297.5430 -33.8632 -9.1723 761324.7803 14.1789 14.1692 PRESSURE: 784000 -273.053 -9.77169 89.0888 -9.7714 132.093 -61.6145 89.0886 -61.6152 75.2213 GPRESSURE: 784000 -194.929 -91.6881 28.7086 -66.7575 181.183 -151.011 39.6729 -23.2418 39.3651 PRESSAVG: 784000 2.73441 -34.4625 9.72913 -34.4625 -2.72971 -12.6367 9.72914 -12.6366 -9.12039 GPRESSAVG: 784000 2.13048 -34.524 12.3873 -34.9011 -1.84407 -11.5876 5.659 -8.26098 -9.60007 TIMING: 784000 CPU: 2466.14, 0.00312982/step Wall: 2466.14, 0.00312982/step, 3.66537 hours remaining, 234.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 784000 4022.3985 20514.7855 14477.9136 232.6852 -203524.3941 2742.9360 0.0000 0.0000 51668.7130 -109864.9623 296.9408 -161533.6753 -109512.8076 298.0964 -21.9128 8.5398 761893.0143 -3.0386 -3.1046 PRESSURE: 784200 -60.1586 -113.553 8.11635 -113.554 -116.57 121.686 8.11677 121.687 344.379 GPRESSURE: 784200 74.1528 -74.528 -43.7466 -37.5979 -103.051 119.283 18.3429 -5.70582 292.589 PRESSAVG: 784200 28.6696 1.77386 -24.2416 1.77385 -28.3859 29.3611 -24.2417 29.3611 -4.7975 GPRESSAVG: 784200 28.8545 1.77272 -25.9712 3.139 -29.8028 29.8754 -22.6717 25.6179 -3.55064 TIMING: 784200 CPU: 2466.77, 0.00313287/step Wall: 2466.77, 0.00313287/step, 3.66877 hours remaining, 234.097656 MB of memory in use. ENERGY: 784200 3987.5349 20387.9283 14551.4213 226.9674 -203838.4023 2814.6726 0.0000 0.0000 51829.9253 -110039.9525 297.8673 -161869.8778 -109674.1351 298.4810 55.8834 87.8972 761961.3556 -1.5046 -1.4997 LDB: ============= START OF LOAD BALANCING ============== 2479.17 LDB: ============== END OF LOAD BALANCING =============== 2479.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2479.17 LDB: ============= START OF LOAD BALANCING ============== 2479.48 LDB: Largest compute 7077 load 0.032728 is 16.7% of average load 0.195827 LDB: Average compute 0.004383 is 2.2% of average load 0.195827 LDB: TIME 2479.49 LOAD: AVG 0.195827 MAX 0.216524 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.918 MB LDB: TIME 2479.49 LOAD: AVG 0.195827 MAX 0.216524 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: TIME 2479.49 LOAD: AVG 0.195827 MAX 0.216524 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: ============== END OF LOAD BALANCING =============== 2479.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2479.49 PRESSURE: 784400 -95.6732 -60.6157 -134.291 -60.6151 202.616 -225.043 -134.291 -225.042 -376.696 GPRESSURE: 784400 -122.303 8.83341 -120.591 22.9157 207.874 -216.817 21.3292 -115.096 -267.019 PRESSAVG: 784400 20.3071 20.5644 12.5895 20.5644 -26.4932 -15.2491 12.5895 -15.2491 4.68244 GPRESSAVG: 784400 19.7785 20.7995 13.6316 22.1127 -24.6273 -15.356 15.3826 -12.1305 3.93588 TIMING: 784400 CPU: 2467.41, 0.00320021/step Wall: 2467.41, 0.00320021/step, 3.74745 hours remaining, 233.398438 MB of memory in use. ENERGY: 784400 3892.4484 20490.4516 14431.2359 255.7725 -203703.6709 2613.1715 0.0000 0.0000 52036.1856 -109984.4052 299.0527 -162020.5909 -109624.3096 298.4025 -89.9178 -60.4825 761712.5481 -0.5012 -0.3043 PRESSURE: 784600 64.0718 28.7276 174.682 28.7271 143.623 220.043 174.681 220.042 453.323 GPRESSURE: 784600 42.5355 35.3026 184.127 1.88791 100.066 288.5 100.132 182.814 592.36 PRESSAVG: 784600 -45.2442 -25.8534 42.5721 -25.8534 8.22748 57.0325 42.5721 57.0324 -7.87965 GPRESSAVG: 784600 -44.7622 -26.8313 41.4284 -25.9774 7.39746 54.8492 39.5984 58.1526 -8.17739 TIMING: 784600 CPU: 2468.03, 0.00311262/step Wall: 2468.03, 0.00311262/step, 3.6447 hours remaining, 233.398438 MB of memory in use. ENERGY: 784600 3965.8418 20428.6703 14433.8556 245.6308 -203879.2519 2939.6226 0.0000 0.0000 51993.9523 -109871.6785 298.8100 -161865.6308 -109511.4286 298.9096 220.3391 244.9872 761038.3693 -14.9654 -15.1807 PRESSURE: 784800 188.791 84.2862 -93.8092 84.285 -73.2855 -28.6625 -93.8087 -28.6629 112.813 GPRESSURE: 784800 234.182 16.129 -123.686 44.091 -21.9028 30.1264 -22.4031 -32.8675 116.632 PRESSAVG: 784800 28.6233 -28.3141 43.018 -28.3141 -24.3628 5.63304 43.0179 5.63303 10.0376 GPRESSAVG: 784800 28.8234 -27.86 44.0795 -29.0864 -24.6709 7.21174 44.7651 3.96084 10.4632 TIMING: 784800 CPU: 2468.66, 0.00314675/step Wall: 2468.66, 0.00314675/step, 3.68449 hours remaining, 233.437500 MB of memory in use. ENERGY: 784800 3936.7167 20537.9870 14374.0003 236.1894 -203349.6281 2362.9477 0.0000 0.0000 52008.6577 -109893.1292 298.8945 -161901.7870 -109537.3612 298.5155 76.1064 109.6370 760234.9505 4.7660 4.8719 PRESSURE: 785000 -240.007 -81.7974 -72.5295 -81.7975 -96.8665 71.7459 -72.5293 71.7461 -580.446 GPRESSURE: 785000 -238.706 -96.2271 -107.654 7.73002 -50.6999 87.4213 -50.6348 109.207 -532.905 PRESSAVG: 785000 10.4421 -19.5521 41.8931 -19.5521 26.7035 -61.2688 41.8931 -61.2687 16.4122 GPRESSAVG: 785000 10.0674 -18.9246 42.2003 -19.2391 27.6432 -60.6343 41.8386 -63.5271 15.7515 TIMING: 785000 CPU: 2469.29, 0.00311861/step Wall: 2469.29, 0.00311861/step, 3.65138 hours remaining, 233.437500 MB of memory in use. ENERGY: 785000 4012.9959 20424.3576 14400.8433 234.6723 -203009.9921 2120.4018 0.0000 0.0000 52113.0471 -109703.6742 299.4944 -161816.7213 -109340.5737 299.0709 -305.7733 -274.1036 760715.2910 17.8526 17.8207 PRESSURE: 785200 -1.41 -98.7658 130.527 -98.7659 -47.3497 -116.089 130.527 -116.089 37.3071 GPRESSURE: 785200 -37.5468 -140.135 156.625 -226.074 61.9982 -105.931 138.812 -93.1714 37.0144 PRESSAVG: 785200 32.0273 43.667 -0.449945 43.6671 -78.9811 -73.2081 -0.449979 -73.2081 -33.7735 GPRESSAVG: 785200 32.0308 44.9698 -1.54261 41.645 -79.9189 -75.0534 -0.831708 -70.53 -33.1321 TIMING: 785200 CPU: 2469.91, 0.00314198/step Wall: 2469.91, 0.00314199/step, 3.67857 hours remaining, 233.437500 MB of memory in use. ENERGY: 785200 3983.0297 20516.0420 14401.9496 244.8168 -203551.1933 2648.8376 0.0000 0.0000 51917.4377 -109839.0799 298.3702 -161756.5176 -109473.1881 298.7836 -3.8175 20.4886 760227.4885 -26.9091 -27.0067 PRESSURE: 785400 -80.0749 85.6031 32.0378 85.6036 -289.959 -63.0704 32.0387 -63.0702 -476.764 GPRESSURE: 785400 -77.7707 92.8687 22.1433 145.713 -280.999 -39.6669 77.8793 43.2695 -405.976 PRESSAVG: 785400 99.2637 21.1358 -6.66339 21.1358 -72.5927 -60.8618 -6.66337 -60.8619 -19.0068 GPRESSAVG: 785400 97.5343 21.2447 -7.18213 22.3058 -72.0193 -57.8098 -5.94657 -61.8875 -18.1376 TIMING: 785400 CPU: 2470.54, 0.0031516/step Wall: 2470.54, 0.0031516/step, 3.68965 hours remaining, 233.437500 MB of memory in use. ENERGY: 785400 4049.0203 20487.7583 14411.5064 232.1628 -203695.4801 2290.6072 0.0000 0.0000 51985.0689 -110239.3563 298.7589 -162224.4252 -109869.7898 297.9100 -282.2660 -254.9154 760475.2738 2.5548 2.4592 PRESSURE: 785600 -10.5881 15.1491 24.6818 15.1489 313.26 148.746 24.6821 148.747 -19.015 GPRESSURE: 785600 -19.8333 30.9503 129.795 -30.9676 381.875 172.433 28.0322 183.47 8.03803 PRESSAVG: 785600 -8.35877 27.1171 -17.318 27.1171 -3.98005 3.14615 -17.318 3.14614 33.5014 GPRESSAVG: 785600 -7.9289 27.3788 -16.3293 25.9083 -3.68335 1.03277 -17.343 3.07545 32.3379 TIMING: 785600 CPU: 2471.17, 0.00314027/step Wall: 2471.17, 0.00314027/step, 3.6762 hours remaining, 233.437500 MB of memory in use. ENERGY: 785600 4005.0007 20549.2092 14458.9053 236.9368 -203790.4639 2732.1835 0.0000 0.0000 51840.5178 -109967.7106 297.9282 -161808.2284 -109610.1358 298.0892 94.5524 123.3599 759950.5769 7.0542 6.9086 PRESSURE: 785800 -45.0247 64.9152 -314.483 64.9153 -71.5092 -28.1479 -314.484 -28.148 -321.131 GPRESSURE: 785800 64.7863 -130.227 -256.4 -29.8083 -76.4224 -9.14426 -209.366 -6.63981 -359.638 PRESSAVG: 785800 -16.4189 3.58169 -10.7218 3.58166 17.9901 -18.6699 -10.7218 -18.6699 -14.3031 GPRESSAVG: 785800 -15.0797 1.76693 -11.3768 2.9062 17.091 -17.5476 -9.31223 -18.2886 -14.8373 TIMING: 785800 CPU: 2471.8, 0.00312996/step Wall: 2471.8, 0.00312996/step, 3.66397 hours remaining, 233.437500 MB of memory in use. ENERGY: 785800 3946.6615 20461.6746 14428.2126 250.9001 -203536.2337 2516.9661 0.0000 0.0000 52050.0663 -109881.7525 299.1324 -161931.8188 -109518.5109 298.7392 -145.8885 -123.7579 762524.9622 -4.2439 -4.2753 PRESSURE: 786000 -121.381 -156.84 -169.242 -156.839 -70.236 174.519 -169.24 174.519 404.48 GPRESSURE: 786000 -78.9172 -53.1698 -148.859 -184.519 -3.62479 168.496 -189.912 101.461 383.914 PRESSAVG: 786000 9.57006 -35.9234 15.7537 -35.9234 2.04224 -43.5303 15.7537 -43.5303 2.5697 GPRESSAVG: 786000 9.10941 -35.4043 16.9853 -35.1547 2.0025 -43.5294 13.4012 -44.3367 3.04874 TIMING: 786000 CPU: 2472.43, 0.00315643/step Wall: 2472.43, 0.00315643/step, 3.69478 hours remaining, 233.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 786000 4045.9078 20493.3284 14441.3377 249.7291 -203374.1123 2431.0946 0.0000 0.0000 52149.6282 -109563.0865 299.7046 -161712.7146 -109198.3218 298.9109 70.9543 100.4573 760571.5125 4.7273 4.7202 PRESSURE: 786200 -85.9167 -174.06 -163.905 -174.059 -112.655 -14.365 -163.906 -14.3652 -231.081 GPRESSURE: 786200 -25.8937 -160.448 -199.128 -114.961 -111.378 11.3445 -152.301 92.2351 -197.167 PRESSAVG: 786200 -5.26901 -10.6853 -43.0722 -10.6853 4.06177 24.0052 -43.0722 24.0052 -4.6468 GPRESSAVG: 786200 -4.41033 -10.6537 -45.2873 -12.1646 2.49922 23.7725 -42.3014 25.7014 -4.35184 TIMING: 786200 CPU: 2473.05, 0.00312494/step Wall: 2473.05, 0.00312494/step, 3.65774 hours remaining, 233.437500 MB of memory in use. ENERGY: 786200 4002.3079 20515.5112 14338.6025 238.7043 -203411.7596 2419.8052 0.0000 0.0000 52230.3503 -109666.4782 300.1685 -161896.8285 -109299.0736 299.4147 -143.2176 -111.4796 760850.9023 -1.9513 -2.0876 PRESSURE: 786400 54.2645 76.433 296.461 76.4334 17.9759 -219.854 296.461 -219.855 -189.58 GPRESSURE: 786400 67.2539 42.5815 323.123 136.23 51.7513 -267.044 288.354 -170.477 -158.962 PRESSAVG: 786400 0.824071 41.967 -3.25442 41.967 9.87743 19.2032 -3.25435 19.2032 -8.59447 GPRESSAVG: 786400 -0.255046 41.538 -1.00789 43.1502 11.1079 18.0667 -4.87812 17.9029 -8.25357 TIMING: 786400 CPU: 2473.68, 0.00312645/step Wall: 2473.68, 0.00312645/step, 3.65934 hours remaining, 233.437500 MB of memory in use. ENERGY: 786400 3980.5913 20349.9104 14458.4293 236.8448 -203537.1077 2819.6448 0.0000 0.0000 51942.8001 -109748.8870 298.5160 -161691.6871 -109384.4392 299.1226 -39.1131 -13.3189 760475.6119 0.7023 0.8664 PRESSURE: 786600 -9.17578 -0.299217 50.879 -0.299482 -657.756 -109.289 50.8786 -109.288 -295.061 GPRESSURE: 786600 17.0195 -45.0705 14.8659 4.88832 -611.524 -140.499 -55.3141 -120.408 -267.543 PRESSAVG: 786600 32.5665 -48.0776 42.7542 -48.0775 -29.5755 -41.5376 42.7542 -41.5377 -33.9367 GPRESSAVG: 786600 33.5516 -47.4015 39.5553 -47.9491 -29.5487 -38.393 45.7199 -41.0619 -33.8486 TIMING: 786600 CPU: 2474.31, 0.00313299/step Wall: 2474.31, 0.00313299/step, 3.66681 hours remaining, 233.437500 MB of memory in use. ENERGY: 786600 4009.4061 20527.1330 14451.8009 242.8721 -203360.6522 2362.0673 0.0000 0.0000 51898.7378 -109868.6351 298.2628 -161767.3729 -109511.6248 298.2964 -320.6641 -287.3492 760936.7096 -10.3152 -9.9486 PRESSURE: 786800 -44.041 61.6256 -91.5386 61.6255 71.7011 -147.424 -91.5374 -147.424 308.189 GPRESSURE: 786800 27.3128 -8.71938 -118.861 -56.9344 90.2533 -43.6014 -204.566 -135.099 304.133 PRESSAVG: 786800 -54.8836 -26.7962 -0.555728 -26.7963 27.4791 1.44398 -0.55577 1.44404 -29.1673 GPRESSAVG: 786800 -54.8327 -27.0373 0.237935 -27.8073 27.802 -0.350964 -1.36294 1.6823 -29.1921 TIMING: 786800 CPU: 2474.93, 0.00313142/step Wall: 2474.93, 0.00313142/step, 3.66481 hours remaining, 233.437500 MB of memory in use. ENERGY: 786800 4035.7176 20378.5800 14462.2643 226.5170 -203146.0289 2506.7719 0.0000 0.0000 51882.6052 -109653.5728 298.1700 -161536.1780 -109298.2062 298.9313 111.9496 140.5664 762282.1711 -18.8573 -18.7410 PRESSURE: 787000 -421.656 -34.1219 -1.46126 -34.1226 -378.215 -98.018 -1.46137 -98.0179 -572.331 GPRESSURE: 787000 -362.725 -9.27928 -34.4565 -8.53833 -276.482 -59.4081 52.7662 -213.729 -629.03 PRESSAVG: 787000 41.1637 -28.5384 -24.6129 -28.5383 -18.6215 -11.4706 -24.6129 -11.4706 10.177 GPRESSAVG: 787000 42.3414 -29.0128 -24.3945 -26.7994 -18.5351 -13.2724 -23.7729 -10.8083 9.27982 TIMING: 787000 CPU: 2475.56, 0.00313375/step Wall: 2475.56, 0.00313375/step, 3.66735 hours remaining, 233.437500 MB of memory in use. ENERGY: 787000 4009.8738 20547.1559 14436.7666 253.0839 -203438.2943 2615.1878 0.0000 0.0000 51955.7435 -109620.4828 298.5904 -161576.2263 -109260.5414 299.4520 -457.4008 -422.7458 762107.2041 10.9064 11.0287 PRESSURE: 787200 -67.6717 13.19 -190.892 13.19 -196.595 251.061 -190.892 251.062 -4.95629 GPRESSURE: 787200 -51.2795 102.703 -95.7668 36.9274 -136.514 234.679 -120.213 191.76 1.31938 PRESSAVG: 787200 -12.3832 -37.6902 -8.46926 -37.6903 -1.55214 21.0165 -8.46929 21.0166 -16.4156 GPRESSAVG: 787200 -12.1832 -36.9202 -8.16579 -38.0366 -2.46395 22.6918 -9.89916 22.2069 -15.6501 TIMING: 787200 CPU: 2476.19, 0.00312793/step Wall: 2476.19, 0.00312793/step, 3.66038 hours remaining, 233.437500 MB of memory in use. ENERGY: 787200 3912.2878 20652.8044 14421.2045 248.6556 -203894.0866 2721.5656 0.0000 0.0000 51989.3508 -109948.2179 298.7835 -161937.5687 -109593.0520 298.6139 -89.7411 -62.1581 761274.2170 -10.1170 -10.0991 PRESSURE: 787400 -99.8322 -23.8695 24.4739 -23.8685 -173.422 75.5911 24.4733 75.5911 38.8856 GPRESSURE: 787400 -45.2333 -14.3877 54.3485 -46.4121 -146.595 202.066 135.709 -1.71557 59.4003 PRESSAVG: 787400 33.3907 -33.7495 -11.5572 -33.7495 -65.3815 10.629 -11.5572 10.629 22.9787 GPRESSAVG: 787400 33.4872 -33.2356 -10.9833 -35.8775 -65.1973 9.59072 -11.7554 9.45569 22.9108 TIMING: 787400 CPU: 2476.82, 0.00314837/step Wall: 2476.82, 0.00314837/step, 3.68412 hours remaining, 233.437500 MB of memory in use. ENERGY: 787400 4008.6607 20375.4483 14454.6669 247.8623 -203438.4382 2511.5695 0.0000 0.0000 51958.8323 -109881.3983 298.6081 -161840.2306 -109520.5808 298.4656 -78.1228 -44.1427 760387.6995 -3.0040 -2.9331 PRESSURE: 787600 272.586 -101.825 40.2611 -101.823 160.212 194.667 40.2605 194.667 166.688 GPRESSURE: 787600 293.834 -201.475 69.819 52.118 105.133 80.3575 156.729 134.372 271.117 PRESSAVG: 787600 11.6033 -43.0551 -20.6955 -43.055 52.2951 17.5831 -20.6956 17.5831 -15.2062 GPRESSAVG: 787600 10.8554 -43.6037 -21.0656 -44.1006 52.8707 17.2315 -18.5888 17.8994 -14.6197 TIMING: 787600 CPU: 2477.44, 0.00314468/step Wall: 2477.44, 0.00314468/step, 3.67962 hours remaining, 233.437500 MB of memory in use. ENERGY: 787600 4013.8083 20437.4534 14487.0465 250.4495 -203790.6547 2671.9138 0.0000 0.0000 52054.5034 -109875.4799 299.1579 -161929.9833 -109509.3980 299.1297 199.8286 223.3614 758605.0223 16.2307 16.3688 PRESSURE: 787800 282.167 -187.565 -98.9029 -187.566 -199.671 -3.25432 -98.9031 -3.25468 -85.3958 GPRESSURE: 787800 267.476 43.3141 -111.331 -150.831 -165.156 -24.0071 -161.888 128.12 -16.9031 PRESSAVG: 787800 31.9255 -52.7158 27.7848 -52.7158 -47.0351 8.08036 27.7848 8.08032 8.42353 GPRESSAVG: 787800 30.6928 -51.7151 26.8527 -49.5199 -46.5064 8.29742 26.6927 5.42527 9.08013 TIMING: 787800 CPU: 2478.07, 0.00314799/step Wall: 2478.07, 0.00314799/step, 3.68332 hours remaining, 233.437500 MB of memory in use. ENERGY: 787800 3975.1650 20406.0873 14470.6593 238.0186 -203500.4785 2488.4037 0.0000 0.0000 51978.2947 -109943.8498 298.7200 -161922.1446 -109584.5732 298.6128 -0.9667 28.4722 760485.7392 -2.2287 -2.2445 PRESSURE: 788000 -161.171 -254.994 183.796 -254.995 -267.73 3.12535 183.796 3.12566 -66.8663 GPRESSURE: 788000 -112.613 -330 155.009 -258.131 -220.322 66.106 181.519 -114.451 -92.2412 PRESSAVG: 788000 -36.9683 -9.89844 17.7962 -9.89851 5.05434 25.3723 17.7961 25.3723 2.99331 GPRESSAVG: 788000 -35.9467 -9.64609 17.9013 -13.2425 4.32573 24.932 19.1339 27.5061 2.8302 TIMING: 788000 CPU: 2478.7, 0.00315622/step Wall: 2478.7, 0.00315622/step, 3.69278 hours remaining, 233.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 788000 3979.3976 20512.3473 14391.8099 249.5604 -203331.0007 2464.5111 0.0000 0.0000 52000.9271 -109732.4473 298.8500 -161733.3744 -109373.9769 298.5468 -165.2557 -141.7253 759466.6159 -9.6402 -9.5969 PRESSURE: 788200 43.6706 71.6821 77.4961 71.6806 -37.0063 -24.8229 77.4963 -24.8229 -230.257 GPRESSURE: 788200 59.6293 35.9331 81.0049 83.0599 -70.6884 -14.5463 3.44268 -23.1816 -147.424 PRESSAVG: 788200 30.6074 -24.1267 35.535 -24.1267 5.48963 -16.6609 35.5351 -16.6609 18.531 GPRESSAVG: 788200 30.4925 -25.4661 36.3695 -22.8709 7.27989 -15.0949 34.0654 -16.7823 17.31 TIMING: 788200 CPU: 2479.33, 0.00312507/step Wall: 2479.33, 0.00312506/step, 3.65615 hours remaining, 233.437500 MB of memory in use. ENERGY: 788200 4039.7686 20585.9432 14510.0499 228.0450 -203881.2541 2775.1081 0.0000 0.0000 52257.6578 -109484.6817 300.3255 -161742.3395 -109132.2335 299.3260 -74.5308 -52.8279 761070.2378 18.2094 18.3608 LDB: ============= START OF LOAD BALANCING ============== 2491.73 LDB: ============== END OF LOAD BALANCING =============== 2491.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2491.73 LDB: ============= START OF LOAD BALANCING ============== 2492.04 LDB: Largest compute 7077 load 0.035429 is 18.1% of average load 0.195747 LDB: Average compute 0.004395 is 2.2% of average load 0.195747 LDB: TIME 2492.04 LOAD: AVG 0.195747 MAX 0.216958 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 2492.04 LOAD: AVG 0.195747 MAX 0.216958 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 2492.04 LOAD: AVG 0.195747 MAX 0.216958 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 2492.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2492.05 PRESSURE: 788400 -244.21 64.8138 -120.199 64.8134 -364.845 -65.7021 -120.199 -65.7021 -197.221 GPRESSURE: 788400 -298.136 3.72099 -89.295 -10.9524 -310.591 -59.9601 12.3223 -159.418 -126.224 PRESSAVG: 788400 10.8136 32.3805 -35.4458 32.3805 -18.1083 37.9998 -35.4457 37.9999 16.8342 GPRESSAVG: 788400 10.9827 31.905 -34.0303 33.3671 -18.1106 38.3113 -35.4271 36.1649 16.6825 TIMING: 788400 CPU: 2479.97, 0.00319138/step Wall: 2479.97, 0.00319138/step, 3.73356 hours remaining, 235.800781 MB of memory in use. ENERGY: 788400 4042.8902 20717.3064 14524.0956 237.5762 -203509.2065 2650.0888 0.0000 0.0000 51923.4145 -109413.8349 298.4046 -161337.2494 -109064.0216 299.9273 -268.7590 -244.9838 761644.6359 3.1799 3.1848 PRESSURE: 788600 -96.2429 141.702 -65.3993 141.702 -322.493 -152.77 -65.3983 -152.77 -108.287 GPRESSURE: 788600 -82.5086 96.7219 -166.119 100.386 -169.517 -47.8503 5.64774 -163.138 -202.645 PRESSAVG: 788600 -33.5332 10.0295 -24.8077 10.0295 3.77334 20.8062 -24.8077 20.8062 -1.74488 GPRESSAVG: 788600 -34.8138 10.0096 -26.3127 9.43834 3.38049 21.0086 -24.75 21.4849 -0.37282 TIMING: 788600 CPU: 2480.59, 0.0031257/step Wall: 2480.59, 0.0031257/step, 3.65655 hours remaining, 235.800781 MB of memory in use. ENERGY: 788600 3985.0837 20563.6197 14469.8105 247.4485 -203280.0976 2529.6854 0.0000 0.0000 52020.4148 -109464.0351 298.9620 -161484.4498 -109092.5814 299.6935 -175.6745 -151.5568 761678.2902 -10.5016 -10.6021 PRESSURE: 788800 234.661 -168.583 -69.7193 -168.583 -262.082 51.5375 -69.7198 51.5383 -160.642 GPRESSURE: 788800 261.458 -285.767 -12.0661 -150.685 -111.653 -48.5367 -42.24 108.069 -228.76 PRESSAVG: 788800 17.5057 29.9604 -26.5257 29.9605 26.6714 8.33296 -26.5257 8.33293 5.16274 GPRESSAVG: 788800 18.1707 30.2083 -26.2508 28.4032 27.5142 6.6577 -25.618 11.3194 3.79065 TIMING: 788800 CPU: 2481.22, 0.00313344/step Wall: 2481.22, 0.00313344/step, 3.66543 hours remaining, 235.800781 MB of memory in use. ENERGY: 788800 4061.2716 20333.5712 14465.9187 239.2600 -203428.1552 2600.6226 0.0000 0.0000 51961.2358 -109766.2751 298.6219 -161727.5109 -109404.3163 299.0580 -62.6878 -26.3183 759304.2175 16.4466 16.4918 PRESSURE: 789000 -266.393 85.9081 61.2081 85.9082 -72.0346 -32.6253 61.2078 -32.6249 -276.909 GPRESSURE: 789000 -171.283 31.0646 109.097 208.961 -91.8763 -40.3583 40.1919 -54.7886 -269.206 PRESSAVG: 789000 -15.2962 27.89 -14.258 27.8899 60.3404 -17.0869 -14.2579 -17.0869 14.9914 GPRESSAVG: 789000 -16.305 27.8492 -12.2114 31.5769 60.5208 -18.6607 -14.5095 -20.278 15.5118 TIMING: 789000 CPU: 2481.85, 0.0031361/step Wall: 2481.85, 0.0031361/step, 3.66836 hours remaining, 235.800781 MB of memory in use. ENERGY: 789000 3953.1905 20434.5105 14372.0755 246.4545 -202988.2381 2051.7813 0.0000 0.0000 52039.9827 -109890.2430 299.0745 -161930.2257 -109530.5877 298.7850 -205.1119 -177.4551 758937.6142 20.0119 19.9092 PRESSURE: 789200 139.436 -90.4315 5.53568 -90.432 87.3243 -170.211 5.53593 -170.211 80.5661 GPRESSURE: 789200 228.025 -10.1656 -10.0031 -20.9478 113.041 -55.1735 -101.689 -16.5539 40.2331 PRESSAVG: 789200 -45.3441 12.2029 -5.00825 12.2029 8.2633 -10.4346 -5.00823 -10.4345 -27.0611 GPRESSAVG: 789200 -45.9001 13.7489 -6.1041 8.91211 7.40742 -8.92623 -6.83462 -9.22934 -25.6836 TIMING: 789200 CPU: 2482.47, 0.00313383/step Wall: 2482.47, 0.00313383/step, 3.66553 hours remaining, 235.800781 MB of memory in use. ENERGY: 789200 3981.8545 20554.7835 14474.0340 250.3546 -203664.6535 2724.6549 0.0000 0.0000 51939.5372 -109739.4349 298.4972 -161678.9721 -109385.9821 298.6163 102.4421 127.0999 759587.3510 -21.3806 -21.3921 PRESSURE: 789400 413.824 -31.9799 -140.995 -31.9805 111.885 -66.3584 -140.996 -66.3584 -160.752 GPRESSURE: 789400 394.411 -5.08243 -76.1038 46.4609 227.267 -60.9064 22.7321 8.50316 -161.947 PRESSAVG: 789400 -11.8303 11.4259 11.1727 11.426 46.5891 19.08 11.1726 19.08 18.1713 GPRESSAVG: 789400 -11.7091 10.4938 9.71597 12.415 47.3657 18.1904 12.6013 19.4488 17.325 TIMING: 789400 CPU: 2483.1, 0.00313939/step Wall: 2483.1, 0.00313939/step, 3.67186 hours remaining, 235.800781 MB of memory in use. ENERGY: 789400 3959.8760 20488.5680 14446.0183 233.6388 -203605.2888 2701.0348 0.0000 0.0000 51885.5815 -109890.5714 298.1871 -161776.1528 -109529.0802 297.9444 121.6525 153.2438 759384.2686 17.6434 17.6605 PRESSURE: 789600 310.052 78.7232 -70.8246 78.7245 -263.246 -4.4226 -70.8235 -4.42297 102.571 GPRESSURE: 789600 366.281 -42.0911 -49.1383 85.3255 -244.376 -16.6385 37.2182 -53.711 114.486 PRESSAVG: 789600 41.4461 37.8205 -27.2424 37.8205 -19.8694 -7.48997 -27.2424 -7.48993 -11.1175 GPRESSAVG: 789600 43.4721 37.8315 -25.651 36.8824 -21.2238 -6.87909 -28.0054 -8.30497 -11.7234 TIMING: 789600 CPU: 2483.73, 0.0031478/step Wall: 2483.73, 0.0031478/step, 3.68153 hours remaining, 235.800781 MB of memory in use. ENERGY: 789600 3863.8690 20425.6922 14440.9544 246.6434 -203441.4648 2505.1284 0.0000 0.0000 52165.3891 -109793.7883 299.7952 -161959.1774 -109422.3734 298.1050 49.7922 78.7971 760909.7309 3.4864 3.5083 PRESSURE: 789800 140.227 224.226 -94.1504 224.226 305.551 -36.6496 -94.1504 -36.6499 97.8478 GPRESSURE: 789800 212.209 215.145 -5.71145 71.1033 316.581 -87.4072 -129.493 50.8614 86.9114 PRESSAVG: 789800 38.2025 -61.573 -17.727 -61.573 -15.8268 -11.8226 -17.7269 -11.8227 16.9773 GPRESSAVG: 789800 35.7624 -63.1828 -17.3528 -60.8847 -14.0305 -11.3688 -18.0461 -11.2065 17.624 TIMING: 789800 CPU: 2484.36, 0.00315353/step Wall: 2484.36, 0.00315353/step, 3.68806 hours remaining, 235.800781 MB of memory in use. ENERGY: 789800 4019.6562 20532.0955 14481.6825 246.8782 -203414.8734 2476.7419 0.0000 0.0000 51763.0080 -109894.8111 297.4827 -161657.8191 -109533.6703 298.2628 181.2083 205.2340 760854.8068 13.1177 13.1186 PRESSURE: 790000 25.2715 2.8406 -89.1174 2.8411 -57.9022 0.922106 -89.1165 0.922302 -165.367 GPRESSURE: 790000 -45.3557 35.9145 -71.294 65.1528 83.8216 92.8072 -37.5707 -26.4508 -146.401 PRESSAVG: 790000 34.6421 -11.993 -54.1068 -11.9931 -24.5665 0.295682 -54.1069 0.29568 0.527262 GPRESSAVG: 790000 35.5475 -11.0896 -55.9329 -11.6929 -26.0941 1.13264 -54.1468 0.476242 1.25366 TIMING: 790000 CPU: 2485, 0.00316966/step Wall: 2485, 0.00316966/step, 3.70674 hours remaining, 235.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 790000 3913.8767 20466.7060 14427.9197 240.5076 -203685.8848 2643.4871 0.0000 0.0000 52003.3378 -109990.0498 298.8639 -161993.3877 -109622.4645 298.4717 -65.9993 -35.9784 761058.3404 3.5343 3.5690 PRESSURE: 790200 217.425 131.584 57.1882 131.584 190.998 -19.6344 57.1888 -19.6342 92.9569 GPRESSURE: 790200 242.093 118.462 27.4808 189.156 221.037 -95.9191 96.5191 66.6032 133.992 PRESSAVG: 790200 -40.7894 -34.9951 -59.4626 -34.995 36.8775 -0.308666 -59.4627 -0.308667 13.6991 GPRESSAVG: 790200 -41.1879 -36.5127 -59.1565 -34.8004 36.4971 -0.637167 -57.6819 -1.11623 13.8655 TIMING: 790200 CPU: 2485.62, 0.00313606/step Wall: 2485.62, 0.00313606/step, 3.66727 hours remaining, 235.800781 MB of memory in use. ENERGY: 790200 3974.2451 20466.9647 14461.0796 259.8693 -203621.0653 2686.1761 0.0000 0.0000 51747.5979 -110025.1325 297.3942 -161772.7304 -109675.7061 297.9818 167.1268 199.0404 760946.7931 3.2624 3.0582 PRESSURE: 790400 -32.6359 -143.753 27.1796 -143.754 -169.829 -43.0533 27.1802 -43.0539 474.213 GPRESSURE: 790400 -27.1071 -165.962 52.9331 -157.112 -48.3169 -73.3475 36.4037 -44.5814 423.51 PRESSAVG: 790400 -8.73264 -22.6794 0.491185 -22.6793 -14.1875 3.47244 0.491238 3.47241 -0.611795 GPRESSAVG: 790400 -8.63321 -19.9976 0.86885 -24.8237 -14.0472 2.91211 -1.90257 3.03371 -0.795718 TIMING: 790400 CPU: 2486.25, 0.00314383/step Wall: 2486.25, 0.00314383/step, 3.67618 hours remaining, 235.800781 MB of memory in use. ENERGY: 790400 3991.8312 20292.5902 14445.4161 264.6825 -203767.7284 2560.9615 0.0000 0.0000 51940.7447 -110271.5023 298.5042 -162212.2470 -109907.1612 297.6369 90.5826 116.0286 759544.0033 -7.8440 -7.8254 PRESSURE: 790600 -77.0454 4.83768 -146.102 4.83747 -32.887 -150.463 -146.103 -150.463 59.5775 GPRESSURE: 790600 -108.047 154.432 -293.674 90.738 41.0417 -197.413 -80.6938 -55.7716 98.1921 PRESSAVG: 790600 10.8071 -20.03 -19.6241 -20.03 18.4676 13.3245 -19.6242 13.3245 -19.2949 GPRESSAVG: 790600 11.0122 -21.5078 -21.2544 -18.6719 19.2923 13.1136 -16.7605 16.297 -20.4438 TIMING: 790600 CPU: 2486.88, 0.00313282/step Wall: 2486.88, 0.00313282/step, 3.66313 hours remaining, 235.800781 MB of memory in use. ENERGY: 790600 4008.8485 20357.5818 14509.5151 236.7615 -203584.1859 2395.7744 0.0000 0.0000 51938.1298 -110137.5749 298.4891 -162075.7047 -109779.7341 297.8044 -16.7850 10.3957 761360.1243 3.3266 3.2869 PRESSURE: 790800 -116.258 -86.3586 65.6992 -86.3581 273.859 -112.719 65.6984 -112.72 149.081 GPRESSURE: 790800 -109.455 -32.6734 64.2396 40.6833 355.101 -104.019 12.4468 -239.257 158.073 PRESSAVG: 790800 -1.25875 20.1119 50.2286 20.1119 -19.1113 -9.48584 50.2286 -9.48588 7.86036 GPRESSAVG: 790800 -2.32718 22.2454 49.7932 20.8801 -18.5905 -8.90238 48.9592 -11.032 8.16957 TIMING: 790800 CPU: 2487.5, 0.00312092/step Wall: 2487.5, 0.00312092/step, 3.64905 hours remaining, 235.800781 MB of memory in use. ENERGY: 790800 3967.3518 20408.3729 14463.9938 240.7029 -203689.0230 2785.7031 0.0000 0.0000 52021.1752 -109801.7233 298.9664 -161822.8984 -109440.5246 298.4329 102.2272 134.5727 760936.3456 -4.1699 -4.2494 PRESSURE: 791000 -152.901 -101.304 -94.4371 -101.303 -81.5405 -163.204 -94.4372 -163.203 -232.344 GPRESSURE: 791000 -145.797 -101.767 -70.8102 -15.4866 -79.0118 -156.654 -134.187 -259.717 -140.205 PRESSAVG: 791000 -25.0531 -38.5092 10.9669 -38.5092 33.5159 -44.8559 10.9668 -44.856 -11.116 GPRESSAVG: 791000 -23.1516 -38.2634 11.8477 -36.9688 31.6795 -43.9871 12.5399 -42.9911 -11.1044 TIMING: 791000 CPU: 2488.13, 0.00313371/step Wall: 2488.13, 0.00313371/step, 3.66383 hours remaining, 235.800781 MB of memory in use. ENERGY: 791000 3928.1940 20483.5066 14447.6521 251.6750 -203434.4947 2490.7404 0.0000 0.0000 51906.0845 -109926.6423 298.3050 -161832.7268 -109572.9760 299.3630 -155.5953 -121.6712 759975.1924 -0.8844 -0.8588 PRESSURE: 791200 144.502 -64.6157 -266.314 -64.6161 -66.1278 95.5327 -266.315 95.5328 307.69 GPRESSURE: 791200 204.322 -159.943 -238.682 2.04974 -34.5525 -1.68691 -126.367 -1.69508 314.288 PRESSAVG: 791200 -30.6606 4.04742 13.2087 4.04748 26.785 -25.5961 13.2087 -25.596 -14.3171 GPRESSAVG: 791200 -31.3741 2.09103 13.3955 2.91549 28.2563 -28.5072 11.3941 -27.6889 -14.7268 TIMING: 791200 CPU: 2488.76, 0.00312819/step Wall: 2488.76, 0.00312819/step, 3.65721 hours remaining, 235.800781 MB of memory in use. ENERGY: 791200 3921.0120 20447.5516 14431.7459 237.6476 -203597.0346 2695.7159 0.0000 0.0000 51991.7399 -109871.6216 298.7972 -161863.3615 -109514.9853 298.4454 128.6880 161.3525 760943.6376 -6.0642 -5.9482 PRESSURE: 791400 103.958 28.3013 147.976 28.3011 24.2566 61.3356 147.975 61.3362 243.552 GPRESSURE: 791400 173.652 -78.6811 124.591 106.22 55.9119 41.5599 74.3318 188.008 251.128 PRESSAVG: 791400 -8.94724 43.1401 -80.5201 43.14 -1.95048 23.5581 -80.5201 23.5581 8.76119 GPRESSAVG: 791400 -8.42975 46.2847 -79.5877 41.1888 -2.37729 25.8565 -81.4929 24.2441 9.13866 TIMING: 791400 CPU: 2489.39, 0.00315097/step Wall: 2489.39, 0.00315097/step, 3.68366 hours remaining, 235.800781 MB of memory in use. ENERGY: 791400 4051.8126 20438.7341 14396.6296 236.6508 -203815.2638 2892.3761 0.0000 0.0000 51867.3200 -109931.7405 298.0822 -161799.0606 -109578.8585 298.8648 123.9225 160.2308 759049.8151 -0.7122 -0.5561 PRESSURE: 791600 109.005 -170.117 4.65971 -170.117 -8.07375 164.055 4.66034 164.055 -233.62 GPRESSURE: 791600 132.526 -86.5128 32.6303 -107.164 -31.403 215.553 27.6017 163.525 -158.094 PRESSAVG: 791600 -21.4095 13.5017 -21.7049 13.5016 45.5447 17.408 -21.7049 17.408 2.11854 GPRESSAVG: 791600 -20.7129 12.8435 -21.8041 16.483 45.4675 17.2395 -20.4029 16.7078 1.99686 TIMING: 791600 CPU: 2490.01, 0.00312264/step Wall: 2490.01, 0.00312264/step, 3.65036 hours remaining, 235.800781 MB of memory in use. ENERGY: 791600 3998.6229 20555.3480 14410.0584 251.6993 -204007.9074 2718.6783 0.0000 0.0000 51928.0748 -110145.4257 298.4314 -162073.5005 -109789.0577 298.3833 -44.2297 -18.9903 759946.5165 8.7512 8.9172 PRESSURE: 791800 67.1739 10.6389 -227.473 10.6393 -462.348 133.332 -227.472 133.333 -69.7486 GPRESSURE: 791800 75.3004 79.8359 -174.297 15.1202 -432.634 81.3227 -217.716 91.1006 -3.37285 PRESSAVG: 791800 28.1774 4.09582 -27.318 4.0959 -27.9259 -13.7407 -27.3181 -13.7407 32.3596 GPRESSAVG: 791800 26.6096 3.30381 -28.0295 3.18824 -26.5749 -15.5222 -28.8375 -13.1912 32.4449 TIMING: 791800 CPU: 2490.64, 0.00313522/step Wall: 2490.64, 0.00313522/step, 3.66489 hours remaining, 235.800781 MB of memory in use. ENERGY: 791800 3880.6811 20376.0266 14391.6117 268.1134 -203696.1368 2744.9797 0.0000 0.0000 51825.3465 -110209.3778 297.8410 -162034.7243 -109846.2318 297.9252 -154.9742 -120.2356 762002.2963 10.8704 10.8265 PRESSURE: 792000 -375.022 31.7752 35.4224 31.7756 -438.361 126.675 35.4222 126.675 68.4731 GPRESSURE: 792000 -334.408 21.9453 59.2794 -25.6577 -321.051 117.504 -39.0715 155.071 10.5662 PRESSAVG: 792000 17.462 23.8469 -44.5797 23.8468 -16.0713 56.8185 -44.5797 56.8185 18.9293 GPRESSAVG: 792000 18.3355 21.3173 -43.9556 24.8825 -16.4253 58.4923 -44.1683 56.9655 18.6547 TIMING: 792000 CPU: 2491.26, 0.00313504/step Wall: 2491.26, 0.00313504/step, 3.66452 hours remaining, 235.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 792000 3948.1157 20484.4251 14451.1659 245.9875 -203869.1494 2410.4546 0.0000 0.0000 52218.5879 -110110.4127 300.1009 -162329.0006 -109746.9115 297.7831 -248.3033 -214.9644 759934.4897 6.7733 6.8550 PRESSURE: 792200 -250.868 120.274 122.39 120.274 -44.8491 -161.586 122.389 -161.585 -363.609 GPRESSURE: 792200 -83.3435 127.823 47.4459 -39.4144 -114.184 -130.04 48.3837 -136.046 -371.042 PRESSAVG: 792200 107.359 23.8177 -30.1863 23.8177 -62.7271 -21.8444 -30.1864 -21.8444 -18.4616 GPRESSAVG: 792200 106.446 25.7444 -32.0202 23.1758 -62.2427 -22.8604 -29.3925 -23.4367 -18.291 TIMING: 792200 CPU: 2491.89, 0.00313442/step Wall: 2491.89, 0.00313442/step, 3.66362 hours remaining, 235.800781 MB of memory in use. ENERGY: 792200 4008.1628 20332.1625 14433.5012 244.5323 -203445.7860 2396.5174 0.0000 0.0000 51937.6680 -110093.2418 298.4865 -162030.9098 -109731.7552 297.9731 -219.7752 -189.5231 760987.7053 8.7236 8.6374 LDB: ============= START OF LOAD BALANCING ============== 2504.29 LDB: ============== END OF LOAD BALANCING =============== 2504.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2504.29 LDB: ============= START OF LOAD BALANCING ============== 2504.6 LDB: Largest compute 7077 load 0.034925 is 17.8% of average load 0.195772 LDB: Average compute 0.004389 is 2.2% of average load 0.195772 LDB: TIME 2504.61 LOAD: AVG 0.195772 MAX 0.213018 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.125 MB LDB: TIME 2504.61 LOAD: AVG 0.195772 MAX 0.213018 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.238 MB LDB: TIME 2504.61 LOAD: AVG 0.195772 MAX 0.213018 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.238 MB LDB: ============== END OF LOAD BALANCING =============== 2504.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2504.61 PRESSURE: 792400 46.9841 -139.336 -280.466 -139.336 106.928 -20.8329 -280.467 -20.8336 135.67 GPRESSURE: 792400 93.45 -76.0241 -270.102 -239.989 103.254 -76.9687 -205.134 47.4272 182.244 PRESSAVG: 792400 -9.99131 -25.2557 -41.8397 -25.2558 -11.9141 -23.0013 -41.8397 -23.0013 -8.2393 GPRESSAVG: 792400 -8.78119 -25.6398 -40.3075 -25.9818 -12.9112 -21.9165 -40.9783 -23.1773 -8.53287 TIMING: 792400 CPU: 2492.53, 0.00320234/step Wall: 2492.53, 0.00320234/step, 3.74282 hours remaining, 234.625000 MB of memory in use. ENERGY: 792400 3981.6343 20548.9962 14389.4826 227.4715 -203204.0946 2319.0955 0.0000 0.0000 51734.0248 -110003.3898 297.3162 -161737.4146 -109651.7839 297.6813 96.5273 126.3158 759591.1269 -10.0482 -10.0751 PRESSURE: 792600 -190.85 113.535 13.0572 113.535 -173.506 161.382 13.0573 161.382 66.2899 GPRESSURE: 792600 -136.934 109.029 74.3879 23.8932 -101.595 149.647 -169.932 240.653 37.6808 PRESSAVG: 792600 58.6143 -6.68863 7.60226 -6.68867 -55.6761 -7.4367 7.60228 -7.43674 -6.39413 GPRESSAVG: 792600 57.7419 -4.89633 5.46722 -6.5617 -54.8175 -7.54984 5.01395 -6.04139 -6.36813 TIMING: 792600 CPU: 2493.16, 0.00316155/step Wall: 2493.16, 0.00316155/step, 3.69497 hours remaining, 234.625000 MB of memory in use. ENERGY: 792600 4104.4659 20507.3287 14411.5613 254.0482 -203485.2808 2419.5351 0.0000 0.0000 51949.9022 -109838.4393 298.5568 -161788.3416 -109487.8206 298.7058 -99.3553 -66.9492 761124.9547 -1.1520 -1.1479 PRESSURE: 792800 21.1347 120.437 -51.7793 120.437 -307.024 -129.565 -51.7791 -129.564 -552.605 GPRESSURE: 792800 3.45275 105.754 -71.7908 162.602 -233.731 -158.963 19.2986 -203.033 -513.02 PRESSAVG: 792800 44.7882 21.8889 12.4913 21.8889 -20.6151 6.59277 12.4912 6.59274 -25.6573 GPRESSAVG: 792800 45.5256 19.7477 14.3133 22.0593 -20.9211 6.31442 14.3179 6.75583 -25.4392 TIMING: 792800 CPU: 2493.79, 0.00315461/step Wall: 2493.79, 0.00315461/step, 3.68668 hours remaining, 234.625000 MB of memory in use. ENERGY: 792800 4042.4666 20380.3940 14457.2401 242.9811 -203010.0375 2252.4565 0.0000 0.0000 51844.3692 -109790.1301 297.9503 -161634.4993 -109432.1897 298.6686 -279.4980 -247.7661 760235.5540 -0.4948 -0.2782 PRESSURE: 793000 -218.803 15.985 -92.2256 15.9851 41.3449 -52.7626 -92.2259 -52.7629 -428.653 GPRESSURE: 793000 -172.162 53.5255 -138.602 -65.2442 44.54 -91.2824 -61.954 25.5342 -399.451 PRESSAVG: 793000 9.21667 -12.7361 22.4704 -12.7361 -8.3436 -59.9909 22.4704 -59.9909 6.77117 GPRESSAVG: 793000 8.26938 -10.6491 21.9049 -14.7488 -8.90812 -60.0863 22.4557 -60.589 8.24192 TIMING: 793000 CPU: 2494.43, 0.00315491/step Wall: 2494.43, 0.00315491/step, 3.68686 hours remaining, 234.625000 MB of memory in use. ENERGY: 793000 3964.0339 20508.4891 14485.7682 254.9117 -203249.0008 2371.4293 0.0000 0.0000 51865.9617 -109798.4068 298.0744 -161664.3685 -109437.2865 298.8444 -202.0371 -175.6911 762146.7021 2.5481 2.5344 PRESSURE: 793200 135.366 48.3663 97.7489 48.366 -83.1011 -15.2802 97.7488 -15.2806 -229.499 GPRESSURE: 793200 150.945 4.34659 58.319 28.1742 -36.5317 -45.0997 5.60846 77.5864 -205.971 PRESSAVG: 793200 -14.4049 44.8609 -14.5347 44.8609 -17.5443 -10.7082 -14.5347 -10.7083 -6.32998 GPRESSAVG: 793200 -14.0765 45.9437 -13.1575 45.3022 -17.831 -12.2668 -15.1773 -9.96886 -7.43656 TIMING: 793200 CPU: 2495.05, 0.00313322/step Wall: 2495.05, 0.00313322/step, 3.66134 hours remaining, 234.625000 MB of memory in use. ENERGY: 793200 3950.6551 20687.4591 14493.1916 252.3995 -203535.2786 2600.6805 0.0000 0.0000 51848.8993 -109701.9934 297.9763 -161550.8927 -109345.0744 299.3365 -59.0782 -30.5192 760914.0300 -12.7597 -13.1147 PRESSURE: 793400 78.2257 -73.6239 -41.6629 -73.6234 65.5479 236.58 -41.6638 236.581 143.715 GPRESSURE: 793400 63.0195 -61.5912 10.571 -42.4886 123.74 125.685 -96.9964 181.754 206.595 PRESSAVG: 793400 -4.58234 -3.31194 23.6794 -3.31199 -9.02421 -54.4521 23.6794 -54.4521 -2.77995 GPRESSAVG: 793400 -4.67219 -5.28651 24.3883 -3.10265 -8.33371 -53.1076 25.8694 -53.282 -3.21613 TIMING: 793400 CPU: 2495.68, 0.00314975/step Wall: 2495.68, 0.00314975/step, 3.68049 hours remaining, 234.625000 MB of memory in use. ENERGY: 793400 4015.8227 20394.9590 14427.1124 236.4572 -203297.1293 2571.7836 0.0000 0.0000 52082.3962 -109568.5983 299.3182 -161650.9945 -109206.4231 298.5921 95.8294 131.1180 761572.9639 -5.4622 -5.4073 PRESSURE: 793600 320.143 -49.642 -12.185 -49.6424 -176.189 -196.941 -12.1853 -196.941 215.484 GPRESSURE: 793600 403.136 -7.31695 -102.698 -172.376 -163.89 -109.739 22.3756 -181.595 181.061 PRESSAVG: 793600 -7.36319 -47.9487 -36.1238 -47.9488 -9.92867 -38.8873 -36.1238 -38.8873 3.63927 GPRESSAVG: 793600 -6.30791 -46.1973 -39.0463 -47.8965 -11.0754 -37.2171 -37.2105 -39.8601 3.32389 TIMING: 793600 CPU: 2496.31, 0.00314656/step Wall: 2496.31, 0.00314656/step, 3.67658 hours remaining, 234.625000 MB of memory in use. ENERGY: 793600 4000.4797 20470.6892 14491.7010 253.3533 -203683.0695 2669.6572 0.0000 0.0000 52148.5028 -109648.6863 299.6982 -161797.1890 -109285.3256 299.1680 119.8125 140.1023 762043.2345 -4.5509 -4.6865 PRESSURE: 793800 93.5334 -64.441 3.88714 -64.4394 276.881 -114.89 3.88682 -114.89 -91.9977 GPRESSURE: 793800 110.183 -59.2341 14.9498 -6.61871 263.472 -292.505 -67.0723 -139.621 -23.7168 PRESSAVG: 793800 45.5399 -29.1913 29.8153 -29.1912 -71.8864 -27.7221 29.8153 -27.7221 17.3739 GPRESSAVG: 793800 43.5516 -31.2628 32.1595 -26.1198 -70.954 -28.6154 31.5903 -27.6121 17.9078 TIMING: 793800 CPU: 2496.94, 0.00316421/step Wall: 2496.94, 0.00316421/step, 3.69703 hours remaining, 234.625000 MB of memory in use. ENERGY: 793800 4105.4047 20448.2517 14521.9066 245.6028 -203643.4607 2886.2525 0.0000 0.0000 51937.6925 -109498.3499 298.4866 -161436.0425 -109144.7466 299.1814 92.8055 116.6461 760569.1009 -2.9909 -3.1649 PRESSURE: 794000 -149.578 241.56 -54.9056 241.56 244.793 -48.1011 -54.9047 -48.1016 -157.159 GPRESSURE: 794000 -136.269 68.3946 -27.9866 157.823 277.884 -84.8296 -42.8281 118.817 -116.492 PRESSAVG: 794000 -10.4655 36.0103 -82.9692 36.0103 -0.521449 -76.4205 -82.9692 -76.4205 -11.2956 GPRESSAVG: 794000 -10.1552 37.6476 -84.5707 35.0184 -0.862109 -76.8917 -84.2678 -74.2967 -11.1229 TIMING: 794000 CPU: 2497.58, 0.00318349/step Wall: 2497.58, 0.00318349/step, 3.71937 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 794000 3892.1563 20505.3358 14498.1544 269.8595 -203509.6712 2527.7722 0.0000 0.0000 52213.9321 -109602.4608 300.0742 -161816.3929 -109236.1958 299.1809 -20.6480 8.3743 761633.6713 -7.4275 -7.3801 PRESSURE: 794200 14.1192 -30.1366 -196.828 -30.1365 190.449 -13.1459 -196.828 -13.1455 355.03 GPRESSURE: 794200 48.6255 56.1058 -73.1605 -67.0992 188.747 36.8703 -259.764 -77.4157 416.493 PRESSAVG: 794200 42.645 17.5374 -41.7031 17.5374 1.65248 -55.77 -41.7031 -55.77 30.1958 GPRESSAVG: 794200 42.3839 17.539 -40.3574 15.7847 1.42354 -55.7875 -41.8719 -57.6015 30.6054 TIMING: 794200 CPU: 2498.21, 0.00315588/step Wall: 2498.21, 0.00315588/step, 3.68695 hours remaining, 234.625000 MB of memory in use. ENERGY: 794200 3940.9576 20502.2258 14452.3995 243.7605 -203413.2413 2503.3896 0.0000 0.0000 52232.2865 -109538.2218 300.1797 -161770.5083 -109165.1836 299.1244 186.5326 217.9553 759286.1385 24.8311 24.8043 PRESSURE: 794400 31.8896 163.17 189.22 163.171 251.075 119.805 189.22 119.804 -79.223 GPRESSURE: 794400 130.855 161.42 170.826 220.543 181.635 97.2353 164.585 -66.962 -8.60979 PRESSAVG: 794400 0.790117 31.0646 -29.3631 31.0646 -35.2748 -26.1722 -29.3631 -26.1722 -10.2425 GPRESSAVG: 794400 1.25445 29.3494 -29.5295 34.1404 -34.5655 -27.6054 -27.5959 -27.8397 -11.6541 TIMING: 794400 CPU: 2498.84, 0.00315858/step Wall: 2498.84, 0.00315858/step, 3.68992 hours remaining, 234.625000 MB of memory in use. ENERGY: 794400 3971.7086 20490.7123 14425.4847 266.5706 -203364.8653 2580.9681 0.0000 0.0000 51927.3037 -109702.1174 298.4269 -161629.4210 -109340.3899 298.8192 67.9139 101.2934 760343.2423 -14.9091 -14.9884 PRESSURE: 794600 72.2174 10.6936 151.701 10.6939 -110.296 3.25323 151.701 3.25337 -104.312 GPRESSURE: 794600 110.541 -51.394 23.4593 36.2037 -140.229 -99.6604 90.6832 29.544 -44.1705 PRESSAVG: 794600 20.7092 10.7064 -28.3586 10.7063 -16.2234 -69.3015 -28.3585 -69.3015 -22.2379 GPRESSAVG: 794600 21.2789 11.4961 -27.9503 8.75051 -17.2826 -68.0861 -29.6971 -67.6055 -21.9608 TIMING: 794600 CPU: 2499.47, 0.0031404/step Wall: 2499.47, 0.0031404/step, 3.66851 hours remaining, 234.625000 MB of memory in use. ENERGY: 794600 4052.1523 20520.6266 14326.0146 231.7223 -203598.9702 2772.9088 0.0000 0.0000 52054.1616 -109641.3841 299.1560 -161695.5457 -109279.8114 298.7925 -47.4634 -24.6197 761045.1793 -5.9174 -5.9882 PRESSURE: 794800 304.956 -46.2422 29.2856 -46.241 176.73 94.9827 29.2858 94.9828 399.353 GPRESSURE: 794800 387.58 -83.3577 -80.8181 34.171 142.117 32.9289 15.9612 109.1 451.567 PRESSAVG: 794800 22.7551 -13.5309 -38.8717 -13.5309 -35.0549 -16.5654 -38.8717 -16.5654 -16.269 GPRESSAVG: 794800 22.12 -13.9763 -39.729 -14.8371 -34.1861 -15.7332 -39.7951 -16.6421 -15.8535 TIMING: 794800 CPU: 2500.1, 0.00315836/step Wall: 2500.1, 0.00315836/step, 3.68932 hours remaining, 234.625000 MB of memory in use. ENERGY: 794800 3924.9277 20563.3881 14414.0008 269.2408 -203516.8951 2414.2503 0.0000 0.0000 52004.9984 -109926.0892 298.8734 -161931.0876 -109554.4449 298.8014 293.6797 327.0881 757299.5474 -9.5229 -9.3065 PRESSURE: 795000 -444.099 -92.7862 -92.2992 -92.7864 -44.8447 -218.699 -92.2994 -218.7 -0.246082 GPRESSURE: 795000 -298.494 -30.3351 -61.8683 -29.6802 -100.252 -196.008 131.76 -143.402 -10.1531 PRESSAVG: 795000 45.5278 -85.1338 -32.815 -85.1337 -66.863 -31.5379 -32.8151 -31.5379 -11.594 GPRESSAVG: 795000 46.1585 -83.7777 -31.8937 -84.4807 -67.3352 -32.9889 -31.6251 -31.9906 -11.8708 TIMING: 795000 CPU: 2500.74, 0.00316724/step Wall: 2500.74, 0.00316724/step, 3.69952 hours remaining, 234.625000 MB of memory in use. ENERGY: 795000 3922.9160 20480.1927 14484.4240 253.5296 -203380.0927 2411.1375 0.0000 0.0000 52040.1221 -109787.7707 299.0753 -161827.8928 -109419.9944 298.8059 -163.0634 -136.2994 758520.6009 -10.9764 -11.0158 PRESSURE: 795200 -132.274 45.1512 -110.113 45.1508 107.604 7.78603 -110.113 7.78462 -152.657 GPRESSURE: 795200 -66.9336 -35.7226 -134.561 44.3528 65.0868 22.8079 -253.33 -2.96106 -112.316 PRESSAVG: 795200 -15.6275 -16.0947 -44.8016 -16.0946 1.55814 -33.6847 -44.8016 -33.6847 15.1194 GPRESSAVG: 795200 -14.8728 -20.3802 -43.9718 -14.3094 0.887291 -34.6556 -45.3218 -33.07 14.3384 TIMING: 795200 CPU: 2501.37, 0.00315692/step Wall: 2501.37, 0.00315692/step, 3.68729 hours remaining, 234.625000 MB of memory in use. ENERGY: 795200 3911.9494 20638.2703 14408.6497 242.1851 -203433.2211 2251.7718 0.0000 0.0000 52190.3080 -109790.0867 299.9384 -161980.3947 -109425.9120 298.8543 -59.1089 -38.0544 760588.3938 0.3500 0.1176 PRESSURE: 795400 -261.96 -73.8923 -185.457 -73.8933 -95.0631 106.262 -185.457 106.262 -406.694 GPRESSURE: 795400 -223.17 -68.6919 -183.78 -23.306 -79.7509 119.14 -207.762 119.211 -362.085 PRESSAVG: 795400 -18.7082 -22.326 -79.4986 -22.3261 22.9078 47.7382 -79.4986 47.7383 -7.31813 GPRESSAVG: 795400 -19.086 -19.0419 -80.1752 -23.086 23.7224 51.0824 -77.09 46.6165 -7.34016 TIMING: 795400 CPU: 2502, 0.0031657/step Wall: 2502, 0.0031657/step, 3.69736 hours remaining, 234.625000 MB of memory in use. ENERGY: 795400 3905.3030 20428.9897 14447.8052 248.0154 -203198.2997 2165.6446 0.0000 0.0000 52063.3821 -109939.1596 299.2090 -162002.5417 -109569.4988 298.5810 -254.5724 -221.6685 760006.6973 -1.0395 -0.9013 PRESSURE: 795600 341.386 119.177 123.803 119.177 173.365 -340.157 123.804 -340.157 275.849 GPRESSURE: 795600 386.667 130.818 148.667 158.203 221.095 -347.367 107.897 -285.756 267.63 PRESSAVG: 795600 -38.9932 -42.753 -62.5106 -42.7529 20.8483 -28.8768 -62.5106 -28.8767 3.19275 GPRESSAVG: 795600 -39.2502 -40.3768 -61.5986 -43.157 20.4489 -30.0943 -65.8242 -28.2739 4.22282 TIMING: 795600 CPU: 2502.64, 0.00317446/step Wall: 2502.64, 0.00317446/step, 3.70741 hours remaining, 234.625000 MB of memory in use. ENERGY: 795600 3844.3442 20571.8495 14502.6627 237.9210 -203635.5584 2489.9572 0.0000 0.0000 52215.4205 -109773.4034 300.0827 -161988.8239 -109411.5062 298.5573 263.5335 291.7973 759506.6473 -4.9840 -4.8595 PRESSURE: 795800 208.771 24.4909 -202.113 24.4912 -153.414 -61.8452 -202.113 -61.8448 267.223 GPRESSURE: 795800 106.936 64.735 -206.029 -14.9011 -25.9944 -25.0267 -121.918 -35.6887 317.663 PRESSAVG: 795800 23.4275 -72.2364 -19.7605 -72.2364 50.203 11.1205 -19.7604 11.1205 7.37351 GPRESSAVG: 795800 23.2989 -75.3865 -20.7533 -71.644 49.9629 11.1824 -19.6422 10.519 7.8265 TIMING: 795800 CPU: 2503.27, 0.00314814/step Wall: 2503.27, 0.00314814/step, 3.67651 hours remaining, 234.625000 MB of memory in use. ENERGY: 795800 3954.8303 20556.7666 14471.1081 253.6679 -203700.3589 2761.3485 0.0000 0.0000 51895.1557 -109807.4818 298.2422 -161702.6375 -109454.2061 299.1677 107.5266 132.8681 760380.6070 27.0013 27.0294 PRESSURE: 796000 266.902 -42.6217 -73.2415 -42.6215 -94.8474 -155.67 -73.2412 -155.67 439.283 GPRESSURE: 796000 355.454 -91.6596 -152.757 64.3898 -77.5318 -130.464 -59.2079 -158.571 404.08 PRESSAVG: 796000 -25.5647 -37.6177 -48.635 -37.6176 -17.5553 -20.5347 -48.635 -20.5348 -28.0659 GPRESSAVG: 796000 -23.4838 -36.2663 -49.1249 -38.4344 -18.8745 -22.5944 -46.5168 -18.7872 -29.0073 TIMING: 796000 CPU: 2503.9, 0.00314748/step Wall: 2503.9, 0.00314747/step, 3.67555 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 796000 3856.5209 20739.3312 14457.0167 244.4925 -203639.1731 2641.9719 0.0000 0.0000 51828.7323 -109871.1075 297.8604 -161699.8399 -109508.1911 298.7705 203.7791 227.3341 759634.7526 -23.7287 -23.7886 PRESSURE: 796200 -300.352 55.0621 -17.7804 55.0613 -260.754 56.2039 -17.7802 56.2028 -126.812 GPRESSURE: 796200 -203.741 59.197 -163.657 65.7179 -242.224 39.3749 20.6262 1.67059 -147.659 PRESSAVG: 796200 29.3584 -18.6333 -49.6493 -18.6334 -51.7825 -65.0607 -49.6493 -65.0607 18.8761 GPRESSAVG: 796200 27.0803 -18.6918 -48.176 -19.7045 -49.6504 -64.2632 -49.1984 -65.8477 19.1073 TIMING: 796200 CPU: 2504.53, 0.00315022/step Wall: 2504.53, 0.00315023/step, 3.67859 hours remaining, 234.625000 MB of memory in use. ENERGY: 796200 3956.0219 20555.2995 14456.2819 247.5010 -203571.8999 2411.7676 0.0000 0.0000 51931.7873 -110013.2406 298.4527 -161945.0279 -109640.4412 298.6768 -229.3063 -197.8748 760495.8024 -1.1827 -1.1543 LDB: ============= START OF LOAD BALANCING ============== 2516.92 LDB: ============== END OF LOAD BALANCING =============== 2516.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2516.93 LDB: ============= START OF LOAD BALANCING ============== 2517.24 LDB: Largest compute 7035 load 0.033784 is 17.2% of average load 0.195943 LDB: Average compute 0.004362 is 2.2% of average load 0.195943 LDB: TIME 2517.24 LOAD: AVG 0.195943 MAX 0.216716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.688 MB LDB: TIME 2517.24 LOAD: AVG 0.195943 MAX 0.216716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.754 MB LDB: TIME 2517.24 LOAD: AVG 0.195943 MAX 0.216716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.754 MB LDB: ============== END OF LOAD BALANCING =============== 2517.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2517.25 PRESSURE: 796400 -383.569 -217.348 256.298 -217.349 16.0576 -102.559 256.298 -102.559 -387.644 GPRESSURE: 796400 -339.679 -213.841 231.665 -175.43 -46.3427 -100.351 189.398 -185.417 -276.427 PRESSAVG: 796400 29.5938 -36.8057 -23.8013 -36.8057 -23.8786 -23.7181 -23.8014 -23.7181 -8.23427 GPRESSAVG: 796400 30.6983 -36.1995 -24.7778 -35.8332 -25.0844 -23.3509 -24.025 -24.652 -8.51632 TIMING: 796400 CPU: 2505.17, 0.00321132/step Wall: 2505.17, 0.00321132/step, 3.74975 hours remaining, 233.542969 MB of memory in use. ENERGY: 796400 3925.4332 20617.9751 14362.5057 246.9500 -203195.8942 2269.0521 0.0000 0.0000 51741.4947 -110032.4835 297.3591 -161773.9781 -109677.5124 298.5036 -251.7187 -220.8161 762430.5602 -0.8397 -0.9675 PRESSURE: 796600 -245.723 204.605 -53.44 204.604 106.794 -83.9601 -53.4393 -83.9616 -478.515 GPRESSURE: 796600 -167.313 64.1809 -88.8743 208.941 42.5041 -50.3772 -27.5269 -77.9286 -429.256 PRESSAVG: 796600 -1.91045 -19.9158 -8.76898 -19.9158 -53.4865 -26.5888 -8.76894 -26.5888 -2.46957 GPRESSAVG: 796600 -2.10443 -19.6875 -9.16817 -19.4764 -54.027 -28.3462 -8.68504 -26.094 -2.22369 TIMING: 796600 CPU: 2505.8, 0.0031376/step Wall: 2505.8, 0.0031376/step, 3.6635 hours remaining, 233.542969 MB of memory in use. ENERGY: 796600 4005.3736 20594.3340 14420.3566 280.7701 -203379.0097 2206.8435 0.0000 0.0000 51998.3700 -109872.9619 298.8353 -161871.3318 -109523.1799 298.5357 -205.8146 -184.6882 760326.2219 -19.2888 -19.4517 PRESSURE: 796800 180.554 -81.864 -226.93 -81.864 -53.5772 38.9905 -226.929 38.9894 232.808 GPRESSURE: 796800 98.5215 -77.087 -149.643 -180.427 66.3077 71.0849 -143.432 -78.2429 273.372 PRESSAVG: 796800 35.3371 0.705151 -14.3466 0.705164 -31.5003 -22.1993 -14.3466 -22.1993 -18.5018 GPRESSAVG: 796800 33.5812 -1.87486 -12.3498 1.40071 -30.0028 -18.7597 -15.9361 -23.6737 -18.1042 TIMING: 796800 CPU: 2506.42, 0.00310622/step Wall: 2506.42, 0.00310622/step, 3.62669 hours remaining, 233.542969 MB of memory in use. ENERGY: 796800 3995.8327 20669.6786 14446.9704 227.3341 -203483.1499 2526.4763 0.0000 0.0000 51949.4775 -109667.3802 298.5544 -161616.8577 -109307.7356 299.1622 119.9281 146.0671 761007.0973 -4.8883 -4.8419 PRESSURE: 797000 -144.991 -226.023 113.856 -226.022 -106.563 50.0622 113.856 50.0625 -419.522 GPRESSURE: 797000 -91.1298 -88.9924 76.0947 -346.519 -120.478 38.0836 154.584 83.1419 -373.098 PRESSAVG: 797000 21.553 -47.9985 -36.1162 -47.9985 -16.9934 53.6229 -36.1162 53.623 0.912084 GPRESSAVG: 797000 21.5388 -46.0513 -36.7695 -49.4947 -16.2195 51.0145 -35.7886 53.6232 0.419958 TIMING: 797000 CPU: 2507.04, 0.00311547/step Wall: 2507.04, 0.00311547/step, 3.63732 hours remaining, 233.542969 MB of memory in use. ENERGY: 797000 4026.1147 20468.9504 14425.5596 254.8054 -203003.7685 2381.9192 0.0000 0.0000 51873.0930 -109573.3263 298.1154 -161446.4193 -109209.7547 299.1430 -223.6919 -194.9020 762505.5163 1.8239 1.9131 PRESSURE: 797200 -116.48 115.066 85.3054 115.066 201.058 -80.7958 85.3051 -80.7943 -138.616 GPRESSURE: 797200 31.6352 -1.80654 -8.28712 157.639 162.318 -70.5636 170.893 95.6235 -169.017 PRESSAVG: 797200 15.0295 -33.6816 -32.0122 -33.6816 -29.8331 -20.1027 -32.0122 -20.1026 -6.99633 GPRESSAVG: 797200 17.0346 -34.7336 -30.8888 -32.3573 -31.4729 -20.1437 -31.4944 -17.5431 -7.54648 TIMING: 797200 CPU: 2507.67, 0.00313874/step Wall: 2507.67, 0.00313874/step, 3.6643 hours remaining, 233.531250 MB of memory in use. ENERGY: 797200 3948.1900 20711.0536 14437.3148 227.1694 -203366.8601 2234.2367 0.0000 0.0000 52306.5178 -109502.3778 300.6063 -161808.8956 -109137.2600 299.7351 -18.0125 8.3122 759487.5607 -7.2666 -7.3282 PRESSURE: 797400 150.52 87.8549 8.20196 87.8542 -66.7922 72.9582 8.20139 72.9591 -171.121 GPRESSURE: 797400 176.731 15.1519 52.4287 34.4296 -29.3284 83.6945 -130.554 35.4731 -141.484 PRESSAVG: 797400 -24.419 40.9161 -3.86526 40.916 32.324 58.3684 -3.86523 58.3684 13.715 GPRESSAVG: 797400 -25.9998 41.7949 -4.68008 38.9655 33.4007 58.5063 -4.65002 58.7222 14.2717 TIMING: 797400 CPU: 2508.29, 0.00313571/step Wall: 2508.29, 0.00313571/step, 3.66059 hours remaining, 233.531250 MB of memory in use. ENERGY: 797400 3912.8427 20511.1960 14420.7138 250.7745 -203410.6749 2339.0070 0.0000 0.0000 52448.4097 -109527.7313 301.4217 -161976.1410 -109157.4505 299.2300 -29.1311 1.9730 759324.5207 7.2066 7.2242 PRESSURE: 797600 95.0674 -168.243 -116.667 -168.243 71.3689 -78.1585 -116.666 -78.1587 -353.17 GPRESSURE: 797600 118.74 -118.149 -252.935 -197.448 149.021 21.9693 -147.137 -86.2927 -385.292 PRESSAVG: 797600 33.9199 -8.11304 10.7358 -8.11308 4.7438 -12.5659 10.7358 -12.5659 5.05357 GPRESSAVG: 797600 33.8983 -7.63744 9.58426 -6.46654 4.44693 -10.7098 11.6798 -14.5088 4.9299 TIMING: 797600 CPU: 2508.92, 0.00311832/step Wall: 2508.92, 0.00311832/step, 3.64011 hours remaining, 233.542969 MB of memory in use. ENERGY: 797600 3998.7086 20750.7356 14403.6595 259.2635 -203327.0435 2404.8092 0.0000 0.0000 52153.4618 -109356.4054 299.7267 -161509.8672 -108997.0465 299.9996 -62.2445 -39.1769 760759.4368 14.5724 14.4251 PRESSURE: 797800 311.744 37.2137 270.092 37.2136 418.494 -122.918 270.092 -122.918 59.2727 GPRESSURE: 797800 287.435 40.1623 279.75 32.6478 505.476 -105.68 291.128 -64.0837 95.052 PRESSAVG: 797800 11.43 -44.2076 23.293 -44.2076 -18.7401 -13.3461 23.2931 -13.346 23.3341 GPRESSAVG: 797800 12.4292 -45.9385 24.2792 -44.4431 -19.3086 -14.6119 24.639 -13.1607 23.1322 TIMING: 797800 CPU: 2509.54, 0.00312668/step Wall: 2509.54, 0.00312668/step, 3.64971 hours remaining, 233.542969 MB of memory in use. ENERGY: 797800 3995.6865 20554.5549 14426.0216 256.2345 -203901.1671 2824.6209 0.0000 0.0000 52204.4996 -109639.5491 300.0200 -161844.0487 -109276.8093 299.5996 263.1704 295.9877 758864.6244 5.3413 5.4176 PRESSURE: 798000 -36.5085 129.161 -17.1196 129.161 168.231 28.0973 -17.119 28.0981 21.6437 GPRESSURE: 798000 115.401 106.293 -47.4613 167.329 209.711 5.28771 -58.3728 -57.067 -78.1102 PRESSAVG: 798000 -13.7282 10.0954 13.3386 10.0954 -21.0353 -46.4018 13.3386 -46.4019 -16.97 GPRESSAVG: 798000 -13.4945 11.5983 13.1585 11.1088 -20.4282 -45.4217 12.9389 -45.8533 -18.105 TIMING: 798000 CPU: 2510.17, 0.00315267/step Wall: 2510.17, 0.00315267/step, 3.67987 hours remaining, 233.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 798000 3961.8106 20551.1032 14476.2656 259.1476 -203491.0385 2456.0862 0.0000 0.0000 52054.0304 -109732.5950 299.1552 -161786.6253 -109373.7290 299.0139 51.1219 82.3340 760633.8667 -17.2445 -17.3425 PRESSURE: 798200 50.0923 -62.6865 -185.202 -62.6871 -198.66 -196.504 -185.201 -196.503 -37.2925 GPRESSURE: 798200 41.1837 -46.0139 -184.07 -214.298 -116.933 -93.3878 -298.231 -52.6366 -15.664 PRESSAVG: 798200 -11.817 -64.9491 -1.27897 -64.9492 -34.0329 -57.3766 -1.279 -57.3766 0.969733 GPRESSAVG: 798200 -11.7829 -64.1735 -1.37893 -66.2058 -34.7384 -59.5123 -0.737235 -56.7814 0.752633 TIMING: 798200 CPU: 2510.81, 0.00315426/step Wall: 2510.81, 0.00315426/step, 3.68155 hours remaining, 233.542969 MB of memory in use. ENERGY: 798200 4031.2612 20583.6576 14362.8886 235.3676 -203455.1668 2376.0712 0.0000 0.0000 52122.0797 -109743.8410 299.5463 -161865.9207 -109382.6992 298.8728 -61.9534 -30.4711 758902.6976 -14.9601 -15.2562 PRESSURE: 798400 -257.533 33.2545 -200.589 33.2551 192.166 61.77 -200.588 61.7711 -352.933 GPRESSURE: 798400 -219.832 144.166 -143.518 65.0626 156.031 140.923 -178.978 -4.85978 -246.074 PRESSAVG: 798400 -38.7538 41.4669 12.0932 41.4669 50.6439 -35.7789 12.0932 -35.7789 19.9077 GPRESSAVG: 798400 -39.0689 42.7488 11.1648 40.2656 50.18 -34.4603 12.5071 -35.2186 20.9618 TIMING: 798400 CPU: 2511.44, 0.00315566/step Wall: 2511.44, 0.00315566/step, 3.683 hours remaining, 233.542969 MB of memory in use. ENERGY: 798400 4033.1547 20689.3837 14432.0867 223.8527 -203805.3423 2668.4270 0.0000 0.0000 51911.0867 -109847.3509 298.3337 -161758.4376 -109499.3768 299.0893 -139.4334 -103.2915 758921.5535 10.5992 10.6910 PRESSURE: 798600 108.155 -32.1356 -183.732 -32.1353 37.2479 122.857 -183.732 122.857 452.269 GPRESSURE: 798600 98.2308 -72.9628 -129.418 74.5895 101.083 119.787 -223.703 -47.2784 493.081 PRESSAVG: 798600 6.7323 -4.82029 -21.3708 -4.82029 -15.103 -4.08817 -21.3709 -4.08814 -11.2569 GPRESSAVG: 798600 7.42575 -6.07328 -21.5387 -2.12153 -14.5648 -4.25061 -22.7654 -6.12147 -12.2961 TIMING: 798600 CPU: 2512.07, 0.00315964/step Wall: 2512.07, 0.00315964/step, 3.68748 hours remaining, 233.542969 MB of memory in use. ENERGY: 798600 4051.3986 20595.6073 14426.5173 221.4532 -203837.0677 2861.2517 0.0000 0.0000 51946.8321 -109734.0075 298.5392 -161680.8396 -109374.9011 299.0078 199.2239 230.7982 760387.3800 -6.5425 -6.4784 PRESSURE: 798800 135.696 260.741 127.599 260.741 -156.478 -106.645 127.6 -106.644 -206.642 GPRESSURE: 798800 152.02 152.211 132.451 207.24 -121.914 -147.058 3.45895 -54.2539 -171.215 PRESSAVG: 798800 -37.9171 5.38079 2.6682 5.38076 28.7295 10.3981 2.6682 10.3982 14.9375 GPRESSAVG: 798800 -38.8675 5.0443 5.28479 2.85693 28.1852 10.8931 0.830536 10.2293 16.2827 TIMING: 798800 CPU: 2512.7, 0.00315454/step Wall: 2512.7, 0.00315454/step, 3.68135 hours remaining, 233.542969 MB of memory in use. ENERGY: 798800 4050.9893 20577.2749 14469.1306 239.2460 -203804.4260 2528.3622 0.0000 0.0000 52190.8849 -109748.5381 299.9417 -161939.4230 -109381.2144 299.0119 -75.8082 -47.0362 759501.6799 1.9166 1.8668 PRESSURE: 799000 -209.234 24.2708 50.9804 24.2712 83.9816 -20.1194 50.9797 -20.1199 266.228 GPRESSURE: 799000 -200.313 11.5482 67.1076 -35.132 161.107 -50.8911 98.8441 -8.00218 270.332 PRESSAVG: 799000 -27.6543 -31.4953 -1.40486 -31.4952 64.2701 -2.074 -1.40485 -2.07403 32.1603 GPRESSAVG: 799000 -27.7656 -32.0942 -3.87319 -28.3724 65.8802 -1.97722 1.07351 -0.800759 30.8453 TIMING: 799000 CPU: 2513.32, 0.0031299/step Wall: 2513.32, 0.0031299/step, 3.65242 hours remaining, 233.542969 MB of memory in use. ENERGY: 799000 3936.4733 20506.4939 14450.6582 240.8913 -203567.0289 2752.5263 0.0000 0.0000 52076.8003 -109603.1858 299.2861 -161679.9860 -109236.3685 299.6812 46.9919 77.0420 761299.7713 22.9253 22.9866 PRESSURE: 799200 -30.2643 -115.229 -32.6657 -115.23 257.441 103.159 -32.6662 103.157 -104.559 GPRESSURE: 799200 -6.51316 -141.817 -126.057 -171.188 295.198 187.126 42.3963 -72.3799 -69.7839 PRESSAVG: 799200 14.2666 -36.0719 41.8213 -36.072 -0.633762 25.9148 41.8213 25.9149 21.4296 GPRESSAVG: 799200 14.428 -35.3443 43.6766 -38.7855 -1.21182 26.9903 42.1147 24.3323 22.1541 TIMING: 799200 CPU: 2513.95, 0.00314187/step Wall: 2513.95, 0.00314187/step, 3.66622 hours remaining, 233.542969 MB of memory in use. ENERGY: 799200 3937.2762 20539.9937 14465.4110 266.1022 -203214.2557 2520.4141 0.0000 0.0000 51934.2758 -109550.7827 298.4670 -161485.0585 -109194.2311 299.1191 40.8724 72.9669 760932.5585 11.6875 11.7901 PRESSURE: 799400 -89.266 -236.294 -177.758 -236.293 -236.961 -16.6349 -177.758 -16.635 366.621 GPRESSURE: 799400 -69.3354 -190.13 -209.905 -104.396 -205.422 40.3168 -128.939 135.828 401.941 PRESSAVG: 799400 -31.9061 7.99076 2.41051 7.99078 24.6389 10.9586 2.41048 10.9586 -14.2247 GPRESSAVG: 799400 -31.685 7.50085 2.17869 9.98345 23.9099 10.3511 2.57358 13.7771 -14.1269 TIMING: 799400 CPU: 2514.58, 0.00315342/step Wall: 2514.58, 0.00315342/step, 3.67952 hours remaining, 233.542969 MB of memory in use. ENERGY: 799400 3895.1925 20519.5153 14491.5978 249.8473 -203403.9907 2640.8386 0.0000 0.0000 52057.3287 -109549.6704 299.1742 -161606.9991 -109184.6390 299.1213 13.4646 42.3947 759867.2799 -7.1640 -7.3007 PRESSURE: 799600 268.475 -108.601 219.76 -108.601 -77.732 -3.9317 219.759 -3.93067 -131.26 GPRESSURE: 799600 230.263 -148.2 311.953 -53.3543 13.1965 -83.6196 176.449 67.0754 -102.88 PRESSAVG: 799600 -14.6707 21.7904 53.0079 21.7904 5.44502 -13.5761 53.0079 -13.5762 21.6262 GPRESSAVG: 799600 -16.113 20.6405 51.5258 21.4607 7.03793 -14.7186 49.7482 -13.7746 21.4982 TIMING: 799600 CPU: 2515.22, 0.00316654/step Wall: 2515.22, 0.00316654/step, 3.69465 hours remaining, 233.542969 MB of memory in use. ENERGY: 799600 3990.1041 20548.8317 14494.3557 252.1251 -203526.0847 2630.1098 0.0000 0.0000 52081.8713 -109528.6870 299.3152 -161610.5583 -109167.7368 299.2351 19.8275 46.8598 760409.2569 4.1335 4.1410 PRESSURE: 799800 -386.715 62.3778 94.8948 62.3782 -467.22 -39.4641 94.8941 -39.4641 -332.49 GPRESSURE: 799800 -348.588 193.948 84.7527 95.8353 -365.207 -68.3044 51.5929 -158.668 -384.873 PRESSAVG: 799800 10.218 -16.2216 -9.92874 -16.2216 9.06132 -49.8694 -9.92874 -49.8694 -3.17583 GPRESSAVG: 799800 11.1377 -12.7641 -9.7168 -17.7445 7.63819 -48.5428 -7.77232 -53.9319 -3.1312 TIMING: 799800 CPU: 2515.85, 0.00314831/step Wall: 2515.85, 0.00314831/step, 3.6732 hours remaining, 233.542969 MB of memory in use. ENERGY: 799800 3898.0091 20733.4079 14489.2013 264.1747 -203044.6627 2147.7210 0.0000 0.0000 51873.8497 -109638.2990 298.1197 -161512.1487 -109271.7393 299.1932 -395.4751 -366.2227 760344.2967 5.3678 5.2149 PRESSURE: 800000 -127.663 211.619 -69.9589 211.619 -39.8635 -32.6256 -69.9581 -32.6249 469.91 GPRESSURE: 800000 -25.6062 158.199 -52.6815 245.213 -77.7754 -63.745 3.33017 155.809 482.172 PRESSAVG: 800000 50.8416 -50.5432 49.2811 -50.5433 -3.82903 -41.4056 49.2811 -41.4055 1.99752 GPRESSAVG: 800000 49.2668 -55.7691 49.6286 -46.6294 -1.99398 -42.9865 50.4561 -34.6991 2.06847 TIMING: 800000 CPU: 2516.48, 0.00318541/step Wall: 2516.48, 0.00318541/step, 3.71631 hours remaining, 233.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 800000 3994.1099 20564.1386 14465.1496 256.1465 -203115.4426 2399.3939 0.0000 0.0000 51957.8007 -109478.7033 298.6022 -161436.5040 -109125.4198 299.1527 100.7945 126.2633 759333.0241 16.3367 16.4471 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.014 seconds, 233.543 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 -155.95 -92.3435 -120.414 -92.3436 -243.192 99.0102 -120.414 99.01 -69.2808 GPRESSURE: 800200 -115.31 -105.004 -124.846 -125.311 -252.718 32.8243 -54.2778 139.191 -14.5332 PRESSAVG: 800200 12.221 -50.8318 29.4173 -50.8318 8.55142 18.4239 29.4173 18.4238 -5.89216 GPRESSAVG: 800200 13.8298 -47.3678 28.7213 -52.3977 6.6285 18.0427 28.6313 16.5033 -5.7194 TIMING: 800200 CPU: 2517.14, 0.00327767/step Wall: 2517.14, 0.00327767/step, 3.82377 hours remaining, 233.667969 MB of memory in use. ENERGY: 800200 3982.1722 20540.8615 14461.4771 251.2911 -203345.5844 2421.9417 0.0000 0.0000 52131.1125 -109556.7284 299.5982 -161687.8408 -109199.5188 299.5100 -156.1409 -127.5203 760753.0807 4.9601 4.9130 LDB: ============= START OF LOAD BALANCING ============== 2529.54 LDB: ============== END OF LOAD BALANCING =============== 2529.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2529.54 LDB: ============= START OF LOAD BALANCING ============== 2529.86 LDB: Largest compute 7077 load 0.033914 is 17.3% of average load 0.195819 LDB: Average compute 0.004358 is 2.2% of average load 0.195819 LDB: TIME 2529.86 LOAD: AVG 0.195819 MAX 0.215928 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.859 MB LDB: TIME 2529.86 LOAD: AVG 0.195819 MAX 0.215928 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 2529.86 LOAD: AVG 0.195819 MAX 0.215928 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: ============== END OF LOAD BALANCING =============== 2529.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2529.87 PRESSURE: 800400 -170.967 6.05913 -17.4357 6.05902 -238.877 92.6478 -17.4358 92.648 128.098 GPRESSURE: 800400 -136.958 -106.778 45.5374 107.131 -260.049 164.296 4.10357 55.6811 183.131 PRESSAVG: 800400 15.2459 -35.8149 63.1477 -35.8148 25.1899 -9.77651 63.1478 -9.77656 11.9328 GPRESSAVG: 800400 15.1697 -36.585 62.1397 -33.7405 24.1573 -9.56612 63.5228 -10.3581 12.6536 TIMING: 800400 CPU: 2517.79, 0.00324336/step Wall: 2517.79, 0.00324336/step, 3.78356 hours remaining, 234.718750 MB of memory in use. ENERGY: 800400 4000.0480 20555.7781 14487.4621 259.1465 -203738.4566 2614.4019 0.0000 0.0000 51994.5630 -109827.0570 298.8135 -161821.6201 -109473.7364 299.0030 -93.9153 -71.2920 762746.1687 17.4562 17.3269 PRESSURE: 800600 -134.701 59.3173 25.0378 59.3174 -59.279 121.263 25.0368 121.265 -240.294 GPRESSURE: 800600 -8.0867 51.544 43.1673 96.9112 -75.4881 66.7694 26.5854 174.708 -238.886 PRESSAVG: 800600 -4.04945 -11.7285 2.90194 -11.7286 -15.6992 33.4706 2.90189 33.4706 7.45933 GPRESSAVG: 800600 -5.25891 -9.0211 5.62156 -16.0859 -13.3462 35.027 2.22665 31.6621 6.8877 TIMING: 800600 CPU: 2518.42, 0.00317361/step Wall: 2518.42, 0.00317361/step, 3.70202 hours remaining, 234.718750 MB of memory in use. ENERGY: 800600 4028.0880 20544.9717 14419.9835 241.1400 -203285.8253 2174.2795 0.0000 0.0000 51819.5493 -110057.8132 297.8077 -161877.3625 -109702.4738 298.6884 -144.7578 -107.4870 761075.8087 -4.0964 -3.9058 PRESSURE: 800800 202.026 -112.778 -135.226 -112.778 -204.499 -29.1415 -135.225 -29.1411 291.632 GPRESSURE: 800800 197.055 -166.626 -142.982 -46.3353 -144.277 -92.3133 -22.7145 -48.5876 336.696 PRESSAVG: 800800 -4.87127 -7.34157 -0.529324 -7.34159 45.6403 -44.5482 -0.529329 -44.5482 2.07058 GPRESSAVG: 800800 -4.55554 -10.7943 -1.91838 -3.50818 45.5828 -46.295 -0.861486 -42.41 2.09064 TIMING: 800800 CPU: 2519.05, 0.00315645/step Wall: 2519.05, 0.00315645/step, 3.68183 hours remaining, 234.718750 MB of memory in use. ENERGY: 800800 3994.0562 20499.0702 14409.6015 239.5858 -203935.9702 2664.1158 0.0000 0.0000 51916.6671 -110212.8736 298.3658 -162129.5407 -109852.6006 298.0728 96.3864 129.8245 759284.7550 14.2799 14.3727 PRESSURE: 801000 -22.9163 89.0876 101.817 89.0869 49.1048 117.021 101.818 117.022 347.243 GPRESSURE: 801000 12.2109 -98.1469 77.8995 135.954 -7.15335 77.9718 170.584 170.052 458.679 PRESSAVG: 801000 -18.0634 11.9862 53.5764 11.9861 41.7529 -51.6292 53.5764 -51.6291 -3.07973 GPRESSAVG: 801000 -16.2728 12.316 54.7776 10.2035 39.9182 -50.3338 52.2927 -51.177 -3.49937 TIMING: 801000 CPU: 2519.69, 0.00317248/step Wall: 2519.69, 0.00317248/step, 3.70034 hours remaining, 234.718750 MB of memory in use. ENERGY: 801000 3996.9184 20551.3057 14494.7065 247.9044 -203653.2510 2490.7358 0.0000 0.0000 51799.6708 -110072.0095 297.6934 -161871.6803 -109712.8209 298.1992 124.4772 154.5788 760234.9432 6.8699 6.7154 PRESSURE: 801200 31.6895 52.2401 65.5817 52.2395 153.369 -181.992 65.582 -181.991 206.894 GPRESSURE: 801200 134.151 -37.2419 4.37733 104.495 188.076 -154.778 10.2739 -200.875 172.552 PRESSAVG: 801200 -12.2417 0.375066 43.395 0.375101 44.8049 -47.9596 43.395 -47.9596 -4.55309 GPRESSAVG: 801200 -13.1627 -3.34445 41.0841 2.21787 45.7167 -48.5939 45.3646 -47.0066 -4.99644 TIMING: 801200 CPU: 2520.32, 0.00316685/step Wall: 2520.32, 0.00316685/step, 3.6936 hours remaining, 234.718750 MB of memory in use. ENERGY: 801200 3919.2218 20334.9723 14464.6113 246.9408 -203592.7446 2672.9422 0.0000 0.0000 51854.7295 -110099.3269 298.0098 -161954.0564 -109733.0755 298.0307 130.6510 164.9264 760998.3842 9.3367 9.1859 PRESSURE: 801400 -18.7691 -79.5677 75.7458 -79.5682 171.958 205.86 75.7452 205.86 -292.327 GPRESSURE: 801400 51.0346 -46.39 105.173 -17.1848 126.695 149.867 123.882 216.65 -249.148 PRESSAVG: 801400 -0.307808 -9.43869 28.8969 -9.43864 -1.78635 29.6434 28.8969 29.6434 18.8626 GPRESSAVG: 801400 -0.839523 -6.86912 30.8987 -11.1322 -2.5077 28.6803 26.8712 28.0985 19.8558 TIMING: 801400 CPU: 2520.96, 0.00317155/step Wall: 2520.96, 0.00317155/step, 3.69891 hours remaining, 234.718750 MB of memory in use. ENERGY: 801400 3979.1446 20436.7038 14552.0246 252.1358 -203548.6341 2531.4921 0.0000 0.0000 51988.1045 -109809.0288 298.7764 -161797.1332 -109452.5638 298.2373 -46.3795 -23.8060 760610.0292 5.5895 5.5029 PRESSURE: 801600 -310.641 61.0932 112.959 61.0937 -279.795 -55.9692 112.958 -55.9668 -33.8053 GPRESSURE: 801600 -303.751 49.8654 180.044 -20.0273 -136.254 -96.0311 27.7301 -63.5444 -92.19 PRESSAVG: 801600 -38.6203 12.1884 56.7482 12.1883 50.8517 23.1613 56.7482 23.1613 -11.3226 GPRESSAVG: 801600 -39.0105 12.5863 56.7521 12.8718 51.6985 23.6807 57.4089 23.6928 -12.0913 TIMING: 801600 CPU: 2521.59, 0.00316755/step Wall: 2521.59, 0.00316755/step, 3.69407 hours remaining, 234.718750 MB of memory in use. ENERGY: 801600 3999.8491 20642.3083 14453.1320 226.9021 -203040.5405 2142.8543 0.0000 0.0000 51867.0453 -109708.4493 298.0806 -161575.4946 -109340.9860 298.6561 -208.0803 -177.3983 761480.7960 0.3029 0.1989 PRESSURE: 801800 -192.979 -93.259 -220.616 -93.2583 45.4072 133.425 -220.616 133.426 93.9275 GPRESSURE: 801800 -127.933 -127.041 -198.146 -42.0868 33.3846 48.7126 -141.458 46.3167 113.672 PRESSAVG: 801800 -20.0747 28.7423 33.0907 28.7424 -4.04829 29.8934 33.0907 29.8934 25.4445 GPRESSAVG: 801800 -20.0506 29.8418 30.8237 28.1292 -4.36351 29.3727 32.8957 29.0997 25.4282 TIMING: 801800 CPU: 2522.22, 0.00317148/step Wall: 2522.22, 0.00317148/step, 3.69847 hours remaining, 234.718750 MB of memory in use. ENERGY: 801800 3957.7330 20491.7542 14405.5268 239.0505 -203407.6576 2358.9711 0.0000 0.0000 52202.1841 -109752.4379 300.0067 -161954.6219 -109384.4857 298.8208 -17.8816 6.3748 760137.6929 0.4405 0.3381 PRESSURE: 802000 -239.736 -243.747 180.169 -243.747 -161.947 0.739742 180.17 0.739646 -327.663 GPRESSURE: 802000 -131.038 -141.732 237.149 -172.042 -175.424 -16.0473 136.889 -5.99567 -338.445 PRESSAVG: 802000 49.9369 -4.86686 73.5319 -4.86684 -34.4671 0.371563 73.5319 0.371593 -1.21217 GPRESSAVG: 802000 50.7025 -4.38982 75.1048 -4.88031 -34.9754 1.45801 75.4403 1.10149 -1.20622 TIMING: 802000 CPU: 2522.86, 0.00317706/step Wall: 2522.86, 0.00317707/step, 3.70481 hours remaining, 234.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 802000 3980.7148 20481.5606 14486.3945 241.7573 -203489.4083 2415.8654 0.0000 0.0000 52180.8985 -109702.2172 299.8843 -161883.1157 -109337.5132 298.8629 -243.1152 -214.9693 760729.9389 4.7525 4.8403 PRESSURE: 802200 -220.584 40.2191 16.2969 40.22 -72.0024 191.264 16.2979 191.265 -281.237 GPRESSURE: 802200 -171.767 73.7847 22.9408 1.67073 -99.7881 166.444 -18.3467 55.5715 -201.918 PRESSAVG: 802200 -51.4926 -18.7683 7.55255 -18.7684 46.6898 7.97105 7.5526 7.97094 -15.911 GPRESSAVG: 802200 -52.4045 -17.6979 7.58165 -20.7257 47.0009 7.40393 6.82427 8.44829 -14.7352 TIMING: 802200 CPU: 2523.49, 0.00316958/step Wall: 2523.49, 0.00316958/step, 3.6959 hours remaining, 234.718750 MB of memory in use. ENERGY: 802200 3935.4291 20463.5699 14471.6122 250.1168 -203099.1805 2392.9434 0.0000 0.0000 51875.0152 -109710.4938 298.1264 -161585.5090 -109347.8000 298.2186 -191.2744 -157.8245 761842.6278 -6.9046 -6.7129 PRESSURE: 802400 145.736 -274.549 224.71 -274.549 104.875 34.297 224.71 34.2976 -226.484 GPRESSURE: 802400 43.3926 -170.787 184.168 -231.121 201.765 -22.6016 43.0347 74.5721 -124.783 PRESSAVG: 802400 -27.4756 -26.0812 79.1551 -26.0812 12.9996 -1.57918 79.1551 -1.57917 12.075 GPRESSAVG: 802400 -28.3134 -28.1602 78.2341 -22.4209 13.737 0.85912 77.9009 -3.26191 11.1434 TIMING: 802400 CPU: 2524.13, 0.00316647/step Wall: 2524.13, 0.00316648/step, 3.69211 hours remaining, 234.718750 MB of memory in use. ENERGY: 802400 3965.0242 20444.0296 14404.7071 248.9439 -203543.7561 2791.4280 0.0000 0.0000 52011.2291 -109678.3942 298.9092 -161689.6233 -109318.5450 298.8876 8.0425 40.1248 762094.5755 -0.8003 -1.1443 PRESSURE: 802600 594.579 141.321 -171.631 141.322 403.87 32.2941 -171.63 32.2941 380.314 GPRESSURE: 802600 734.205 -58.546 -49.6746 76.1207 362.012 33.6135 -145.354 118.249 358.045 PRESSAVG: 802600 -19.9064 -15.3454 52.9851 -15.3454 1.38429 58.2061 52.9852 58.206 -9.19619 GPRESSAVG: 802600 -18.1838 -16.1161 53.0862 -17.4982 0.673179 55.2535 52.2404 60.0839 -9.61309 TIMING: 802600 CPU: 2524.76, 0.00317674/step Wall: 2524.76, 0.00317674/step, 3.70391 hours remaining, 234.718750 MB of memory in use. ENERGY: 802600 3967.7536 20511.3251 14437.8553 255.2257 -203542.9751 2659.3662 0.0000 0.0000 52076.2935 -109635.1557 299.2832 -161711.4492 -109269.7372 298.8422 459.5877 484.7541 760356.0010 -9.2394 -9.0412 PRESSURE: 802800 289.697 180.973 14.6031 180.973 -16.927 -37.8121 14.6034 -37.8107 41.2305 GPRESSURE: 802800 333.842 133.091 -22.2173 102.809 0.462225 -71.313 -137.038 6.3043 72.7267 PRESSAVG: 802800 35.6927 19.2621 14.8066 19.2622 -28.7799 -25.8221 14.8066 -25.8221 8.60132 GPRESSAVG: 802800 35.2464 20.3088 13.8716 20.3517 -28.0136 -24.0067 15.4612 -27.4415 8.65004 TIMING: 802800 CPU: 2525.39, 0.0031621/step Wall: 2525.39, 0.00316209/step, 3.68665 hours remaining, 234.718750 MB of memory in use. ENERGY: 802800 4020.7436 20366.8150 14470.6390 259.0798 -203907.2635 3059.7921 0.0000 0.0000 52160.1785 -109570.0154 299.7653 -161730.1939 -109211.6544 299.1132 104.6669 135.6770 760601.3301 5.1714 5.2943 PRESSURE: 803000 -220.136 206.499 241.377 206.499 11.3773 -256.351 241.377 -256.352 -253.701 GPRESSURE: 803000 -200.365 72.4168 219.411 163.511 -46.0869 -214.913 226.642 -111.804 -128.266 PRESSAVG: 803000 -24.4422 39.7652 21.9428 39.7652 23.016 -16.6126 21.9428 -16.6126 13.8341 GPRESSAVG: 803000 -24.9502 38.4496 22.1237 38.8273 22.6837 -17.0158 23.8914 -16.1882 14.6917 TIMING: 803000 CPU: 2526.02, 0.0031471/step Wall: 2526.02, 0.0031471/step, 3.669 hours remaining, 234.718750 MB of memory in use. ENERGY: 803000 3999.8332 20325.2666 14534.9745 255.4755 -203093.8177 2605.7571 0.0000 0.0000 51808.2640 -109564.2468 297.7428 -161372.5108 -109191.8259 298.9084 -154.1534 -124.9059 763394.5152 4.1360 4.1417 PRESSURE: 803200 -61.0598 -36.6842 9.20979 -36.684 37.316 24.2465 9.21029 24.2474 511.919 GPRESSURE: 803200 12.8488 -0.292098 32.3668 -43.185 63.6519 24.2954 41.7915 77.7067 485.589 PRESSAVG: 803200 25.1272 -22.8248 -16.2316 -22.8248 -2.09002 44.6859 -16.2315 44.6858 -22.3126 GPRESSAVG: 803200 25.8038 -20.4846 -14.4478 -23.3905 -2.04044 44.6029 -18.4715 43.8966 -22.7719 TIMING: 803200 CPU: 2526.65, 0.0031509/step Wall: 2526.65, 0.0031509/step, 3.67325 hours remaining, 234.718750 MB of memory in use. ENERGY: 803200 3967.3596 20360.3711 14486.7347 237.4015 -203720.3661 2993.0466 0.0000 0.0000 52104.8367 -109570.6158 299.4472 -161675.4526 -109198.8123 299.0296 162.7251 187.3634 762350.0361 0.2415 0.3305 PRESSURE: 803400 403.17 -196.085 -173.877 -196.086 45.9424 40.8866 -173.876 40.8878 -253.785 GPRESSURE: 803400 443.109 -207.316 -69.2377 -221.954 97.4558 22.4836 -118.974 -13.8299 -266.098 PRESSAVG: 803400 -8.25287 17.8499 -13.501 17.8499 -0.986989 12.992 -13.5009 12.992 23.3416 GPRESSAVG: 803400 -7.90385 16.4572 -14.5992 18.3552 -0.691094 12.6213 -12.7266 14.9694 23.0385 TIMING: 803400 CPU: 2527.29, 0.00315932/step Wall: 2527.29, 0.00315932/step, 3.68289 hours remaining, 234.718750 MB of memory in use. ENERGY: 803400 3940.8767 20449.0300 14441.4457 260.3927 -203494.4118 2832.9528 0.0000 0.0000 52176.8318 -109392.8821 299.8610 -161569.7139 -109027.2489 299.4854 65.1091 91.4890 762267.6197 4.7006 4.8145 PRESSURE: 803600 426.019 -238.558 -37.888 -238.558 -55.1373 -14.4813 -37.8875 -14.4816 492.128 GPRESSURE: 803600 443.54 -189.126 -38.3219 -157.487 -37.4891 14.9206 -83.0295 6.3106 555.789 PRESSAVG: 803600 43.3733 -72.4465 5.95209 -72.4465 -15.133 -19.9115 5.95209 -19.9114 9.95431 GPRESSAVG: 803600 42.6874 -72.4819 7.09683 -72.5881 -14.6089 -19.6676 5.50675 -21.4261 10.3002 TIMING: 803600 CPU: 2527.92, 0.00316176/step Wall: 2527.92, 0.00316176/step, 3.68556 hours remaining, 234.718750 MB of memory in use. ENERGY: 803600 3991.9081 20303.4717 14503.8485 246.2716 -203664.2593 2944.7721 0.0000 0.0000 52260.7438 -109413.2436 300.3432 -161673.9873 -109048.4290 299.4368 287.6702 320.6133 761179.4606 12.7315 12.7929 PRESSURE: 803800 -161.228 34.4831 99.3367 34.4838 166.446 119.179 99.3361 119.181 7.02094 GPRESSURE: 803800 -163.744 106.053 42.3079 37.4389 167.728 142.195 129.432 43.1149 77.7168 PRESSAVG: 803800 -55.9329 -41.2115 -23.78 -41.2115 14.0521 -16.7354 -23.7801 -16.7354 -5.2587 GPRESSAVG: 803800 -55.5907 -41.4677 -24.3952 -40.2486 13.4812 -17.421 -23.4387 -17.3243 -5.01949 TIMING: 803800 CPU: 2528.55, 0.0031574/step Wall: 2528.55, 0.0031574/step, 3.6803 hours remaining, 234.718750 MB of memory in use. ENERGY: 803800 3975.7811 20716.3776 14524.3453 260.0935 -203427.0389 2520.7263 0.0000 0.0000 51944.4722 -109485.2429 298.5256 -161429.7150 -109133.4882 299.6509 4.0795 27.2336 761372.5355 -15.7132 -15.7097 PRESSURE: 804000 -80.2801 111.45 146.496 111.451 212.631 -76.7613 146.495 -76.7627 -68.6151 GPRESSURE: 804000 66.7148 28.9032 118.785 36.2201 148.191 23.3334 -0.488988 -6.08753 -55.9173 PRESSAVG: 804000 -12.6858 -70.3997 -28.136 -70.3997 9.17838 32.3272 -28.136 32.3272 -24.3846 GPRESSAVG: 804000 -12.2197 -69.7526 -27.3252 -72.97 8.37076 32.1165 -29.5385 34.0501 -24.0506 TIMING: 804000 CPU: 2529.18, 0.00314937/step Wall: 2529.18, 0.00314937/step, 3.67077 hours remaining, 234.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 804000 3980.8876 20582.9234 14424.1605 251.4208 -203243.1476 2431.5385 0.0000 0.0000 52036.7416 -109535.4751 299.0559 -161572.2168 -109170.3906 299.0738 21.2453 52.9961 761579.1398 -9.2973 -9.2999 PRESSURE: 804200 142.963 254.304 33.3004 254.306 123.912 -132.329 33.3004 -132.328 93.2751 GPRESSURE: 804200 123.133 177.334 160.133 183.622 218.803 -128.988 -55.8232 -134.461 112.878 PRESSAVG: 804200 -27.6821 -70.3589 -31.7862 -70.3589 47.7036 14.3856 -31.7862 14.3856 -17.5817 GPRESSAVG: 804200 -28.467 -70.1935 -32.5805 -68.3542 48.0707 13.078 -29.5421 16.2066 -16.993 TIMING: 804200 CPU: 2529.81, 0.00316194/step Wall: 2529.81, 0.00316194/step, 3.68524 hours remaining, 234.718750 MB of memory in use. ENERGY: 804200 3998.8346 20504.0998 14519.2187 238.7174 -203218.0528 2239.8613 0.0000 0.0000 52022.5575 -109694.7635 298.9744 -161717.3210 -109329.5714 299.3439 120.0499 151.6045 761006.8703 0.8133 0.8702 LDB: ============= START OF LOAD BALANCING ============== 2542.21 LDB: ============== END OF LOAD BALANCING =============== 2542.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2542.21 LDB: ============= START OF LOAD BALANCING ============== 2542.53 LDB: Largest compute 7077 load 0.034869 is 17.8% of average load 0.195968 LDB: Average compute 0.004358 is 2.2% of average load 0.195968 LDB: TIME 2542.53 LOAD: AVG 0.195968 MAX 0.216653 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 2542.53 LOAD: AVG 0.195968 MAX 0.216653 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.312 MB LDB: TIME 2542.53 LOAD: AVG 0.195968 MAX 0.216653 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.312 MB LDB: ============== END OF LOAD BALANCING =============== 2542.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2542.54 PRESSURE: 804400 -60.2511 5.79447 240.489 5.79353 -255.714 -48.5988 240.488 -48.5998 418.908 GPRESSURE: 804400 -57.7432 -23.7244 228.737 78.0452 -114.567 -53.7503 208.41 -21.1615 342.922 PRESSAVG: 804400 -65.9058 22.7627 8.12611 22.7626 81.0663 -14.5247 8.1261 -14.5247 -20.1788 GPRESSAVG: 804400 -65.049 21.1948 6.63029 22.1523 80.929 -14.0726 6.54357 -14.7732 -21.505 TIMING: 804400 CPU: 2530.46, 0.00323646/step Wall: 2530.46, 0.00323646/step, 3.77191 hours remaining, 233.949219 MB of memory in use. ENERGY: 804400 3957.5831 20532.0658 14508.6726 254.1100 -203591.7532 2569.9441 0.0000 0.0000 52036.8524 -109732.5251 299.0565 -161769.3776 -109369.6494 298.7104 34.3143 56.8707 761352.8528 -1.6728 -1.8750 PRESSURE: 804600 73.402 155.94 -2.09833 155.939 111.581 58.7884 -2.09845 58.7891 -651.292 GPRESSURE: 804600 28.995 157.003 -51.2212 95.6043 170.318 41.3969 -56.3297 99.5834 -591.826 PRESSAVG: 804600 -31.6986 23.0189 31.7003 23.0189 27.5562 8.90931 31.7003 8.90928 16.7583 GPRESSAVG: 804600 -31.7396 23.5724 32.278 24.0024 26.9244 8.46286 33.9354 9.65523 16.8867 TIMING: 804600 CPU: 2531.09, 0.00316488/step Wall: 2531.09, 0.00316488/step, 3.68832 hours remaining, 233.949219 MB of memory in use. ENERGY: 804600 4013.4991 20420.7876 14447.0248 233.9258 -203577.5312 2411.6186 0.0000 0.0000 52102.4056 -109948.2697 299.4332 -162050.6752 -109580.7832 298.5674 -155.4361 -130.8375 759723.2150 4.2053 4.0239 PRESSURE: 804800 -79.4691 121.895 -191.222 121.896 327.973 104.634 -191.222 104.635 193.401 GPRESSURE: 804800 -64.1046 108.665 -202.905 176.702 414.108 136.614 -228.191 54.8647 191.595 PRESSAVG: 804800 -31.3115 6.99494 8.75792 6.99493 30.1717 -3.56309 8.7579 -3.56308 16.4349 GPRESSAVG: 804800 -32.5736 5.96246 7.4104 7.81519 31.5572 -2.65372 7.66034 -6.24929 16.1788 TIMING: 804800 CPU: 2531.72, 0.00314516/step Wall: 2531.72, 0.00314516/step, 3.66516 hours remaining, 233.949219 MB of memory in use. ENERGY: 804800 3909.6347 20597.0370 14423.3834 248.8490 -203612.5234 2489.7249 0.0000 0.0000 51973.8501 -109970.0442 298.6944 -161943.8943 -109606.6424 298.6812 147.3014 180.5326 760707.9326 5.0984 5.0541 PRESSURE: 805000 -38.714 96.4428 117.985 96.4437 133.14 -34.0942 117.985 -34.0942 10.9167 GPRESSURE: 805000 105.37 99.2577 82.2792 8.33718 114.353 7.36632 59.6803 53.5998 -28.7105 PRESSAVG: 805000 -55.8382 -25.8011 15.6731 -25.8011 42.5214 -25.7302 15.6732 -25.7302 -6.93618 GPRESSAVG: 805000 -54.7163 -23.3025 16.1459 -27.3176 41.6201 -26.252 16.5566 -23.5105 -6.91624 TIMING: 805000 CPU: 2532.35, 0.00316037/step Wall: 2532.35, 0.00316037/step, 3.6827 hours remaining, 233.949219 MB of memory in use. ENERGY: 805000 3961.7860 20560.2474 14443.2889 249.3030 -203787.9306 2516.1220 0.0000 0.0000 52156.7711 -109900.4121 299.7457 -162057.1833 -109541.5260 298.4943 35.1144 63.6712 759957.7980 -6.7510 -6.6708 PRESSURE: 805200 -35.2148 44.3274 -75.4116 44.3265 -178.754 -6.41176 -75.4109 -6.41213 -33.5869 GPRESSURE: 805200 70.2121 -37.6873 -6.24262 99.4215 -165.602 -42.3948 -43.2031 1.49488 -97.4446 PRESSAVG: 805200 -16.3319 -58.9057 -7.89241 -58.9058 -12.1896 -15.5252 -7.8924 -15.5252 17.4192 GPRESSAVG: 805200 -15.2693 -61.0945 -5.30461 -59.2959 -12.7405 -16.0499 -11.4055 -15.1764 16.1532 TIMING: 805200 CPU: 2532.98, 0.00315229/step Wall: 2532.98, 0.00315229/step, 3.67311 hours remaining, 233.949219 MB of memory in use. ENERGY: 805200 3945.9571 20627.5342 14400.8497 250.6418 -203447.9230 2440.2451 0.0000 0.0000 51898.1426 -109884.5525 298.2593 -161782.6951 -109527.2504 298.4572 -82.5185 -64.2783 761191.0349 -3.7008 -3.9522 PRESSURE: 805400 8.78389 14.3594 66.8021 14.3594 -183.544 16.9635 66.8025 16.9636 -104.264 GPRESSURE: 805400 14.3029 -96.4394 47.7875 126.762 -194.843 -96.7646 210.959 -58.4676 -21.6494 PRESSAVG: 805400 21.8462 -19.1107 -6.9495 -19.1106 5.81026 -6.90608 -6.94953 -6.90597 3.17536 GPRESSAVG: 805400 20.9061 -18.1823 -8.51264 -19.2408 6.44154 -5.57746 -5.06412 -9.09244 3.772 TIMING: 805400 CPU: 2533.62, 0.00317365/step Wall: 2533.62, 0.00317365/step, 3.69783 hours remaining, 233.949219 MB of memory in use. ENERGY: 805400 4049.6107 20453.8381 14402.8533 245.1597 -203437.8795 2468.6463 0.0000 0.0000 52007.5803 -109810.1911 298.8883 -161817.7714 -109446.8190 299.2840 -93.0077 -67.3964 761662.0120 10.2773 10.3732 PRESSURE: 805600 91.236 -254.661 -4.00441 -254.661 -23.5179 -272.434 -4.00438 -272.433 -126.935 GPRESSURE: 805600 120.466 -195.197 -52.1898 -226.732 25.4347 -263.478 36.5646 -167.028 -115.695 PRESSAVG: 805600 64.4815 -7.55255 9.94372 -7.55255 -1.92218 0.703474 9.94369 0.703474 -25.9829 GPRESSAVG: 805600 65.192 -8.95406 10.175 -3.56294 -3.05634 1.94068 8.91256 -0.467922 -25.4447 TIMING: 805600 CPU: 2534.25, 0.00317306/step Wall: 2534.25, 0.00317306/step, 3.69697 hours remaining, 233.949219 MB of memory in use. ENERGY: 805600 3991.4913 20632.9733 14426.9831 235.4675 -203208.6462 2455.6541 0.0000 0.0000 51710.1190 -109755.9580 297.1788 -161466.0770 -109391.8939 298.8726 -19.7389 10.0686 761140.2421 12.1921 12.2303 PRESSURE: 805800 316.426 -82.6043 -167.321 -82.6041 182.474 21.2139 -167.321 21.2152 272.737 GPRESSURE: 805800 323.002 -95.1355 -205.562 -95.4877 247.134 -1.38794 6.04173 21.1242 284.489 PRESSAVG: 805800 -31.8222 -33.6475 -10.6534 -33.6474 8.00714 -79.028 -10.6534 -79.028 -8.00779 GPRESSAVG: 805800 -33.1076 -31.5634 -11.4697 -36.5442 9.53814 -79.7596 -9.56629 -76.8851 -8.41613 TIMING: 805800 CPU: 2534.89, 0.00316143/step Wall: 2534.89, 0.00316143/step, 3.68325 hours remaining, 233.949219 MB of memory in use. ENERGY: 805800 3953.6642 20587.9087 14442.0181 241.7539 -203749.2689 2979.7707 0.0000 0.0000 51997.1417 -109547.0115 298.8283 -161544.1533 -109184.4034 299.2405 257.2122 284.8747 759057.4560 -10.6076 -10.6619 PRESSURE: 806000 50.1493 -158.938 46.4757 -158.938 255.557 -105.903 46.4753 -105.903 -96.3389 GPRESSURE: 806000 97.7983 -223.936 -18.3487 -200.008 200.027 -179.347 -26.345 -30.3766 2.65116 PRESSAVG: 806000 -58.5114 -21.4858 -2.05095 -21.4858 55.7452 -59.4434 -2.05095 -59.4433 1.25136 GPRESSAVG: 806000 -58.0217 -23.6464 -1.83661 -23.1615 54.7073 -60.4072 -3.39875 -59.2425 1.79234 TIMING: 806000 CPU: 2535.52, 0.00315692/step Wall: 2535.52, 0.00315692/step, 3.67782 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 806000 3939.5008 20566.0906 14442.5090 250.4507 -203553.5409 2433.3485 0.0000 0.0000 52196.5526 -109725.0888 299.9743 -161921.6413 -109358.5864 299.2079 69.7892 100.1589 759220.8636 -0.5049 -0.5074 PRESSURE: 806200 -165.171 -153.154 55.0561 -153.153 -90.0931 37.0579 55.0564 37.0576 109.886 GPRESSURE: 806200 -216.151 -192.12 43.8335 -153.88 131.397 114.473 147.356 2.40298 20.5289 PRESSAVG: 806200 -55.9105 21.518 3.85416 21.5179 71.1624 -52.8639 3.85414 -52.864 16.3017 GPRESSAVG: 806200 -55.2188 21.0235 5.53039 23.8334 72.4567 -51.9813 3.66278 -51.0822 14.52 TIMING: 806200 CPU: 2536.15, 0.00317135/step Wall: 2536.15, 0.00317135/step, 3.69445 hours remaining, 233.949219 MB of memory in use. ENERGY: 806200 4045.1437 20560.4551 14404.1529 244.7757 -203219.6487 2333.5523 0.0000 0.0000 51951.8020 -109679.7669 298.5677 -161631.5690 -109318.3871 299.2675 -48.4595 -21.4084 759648.0855 10.5179 10.5859 PRESSURE: 806400 -61.2045 -112.576 16.3832 -112.575 -31.9829 -24.7455 16.3843 -24.7455 -35.6195 GPRESSURE: 806400 -0.1367 -31.1868 11.5688 -158.675 -2.2169 -94.4609 34.666 -39.6661 -58.8752 PRESSAVG: 806400 -7.9544 -34.0513 16.3374 -34.0513 63.2621 3.5937 16.3373 3.59374 -1.73416 GPRESSAVG: 806400 -7.32953 -32.0131 15.3163 -35.0245 61.8135 4.40146 17.4612 1.77914 -0.962453 TIMING: 806400 CPU: 2536.78, 0.00314972/step Wall: 2536.78, 0.00314972/step, 3.66907 hours remaining, 233.949219 MB of memory in use. ENERGY: 806400 3964.7981 20600.3326 14448.1516 242.3052 -203584.4872 2625.3809 0.0000 0.0000 52085.6769 -109617.8419 299.3371 -161703.5188 -109252.8285 299.2605 -42.9356 -20.4096 758973.0087 17.8578 17.8405 PRESSURE: 806600 13.4178 -133.618 -300.893 -133.617 -224.096 -23.5223 -300.893 -23.5217 -52.7224 GPRESSURE: 806600 69.9108 -128.573 -311.062 -38.6075 -211.655 -64.4332 -229.104 -43.1291 -29.8211 PRESSAVG: 806600 11.3649 22.9195 17.0571 22.9195 3.59335 8.77898 17.0571 8.77903 -17.0766 GPRESSAVG: 806600 11.0043 23.0627 16.2249 21.0027 4.58931 8.18896 18.305 7.21475 -17.2307 TIMING: 806600 CPU: 2537.41, 0.00315006/step Wall: 2537.41, 0.00315006/step, 3.66929 hours remaining, 233.949219 MB of memory in use. ENERGY: 806600 3967.2849 20492.9543 14383.3369 251.6783 -203122.8724 2364.5158 0.0000 0.0000 52221.8735 -109441.2286 300.1198 -161663.1021 -109081.6443 299.6465 -87.8002 -57.1886 761376.3878 -0.7061 -0.5457 PRESSURE: 806800 75.0049 155.78 -89.3917 155.78 310.723 115.963 -89.3915 115.965 443.214 GPRESSURE: 806800 72.9132 147.557 -75.4651 276.539 357.597 128.145 -161.469 127.468 476.744 PRESSAVG: 806800 -0.271955 -22.6488 -27.9391 -22.6488 32.7047 -0.693302 -27.9392 -0.693285 -9.17681 GPRESSAVG: 806800 -1.01303 -24.1503 -26.177 -19.0695 32.8068 -1.49919 -32.1434 1.36942 -8.10534 TIMING: 806800 CPU: 2538.04, 0.00315502/step Wall: 2538.04, 0.00315502/step, 3.6749 hours remaining, 233.949219 MB of memory in use. ENERGY: 806800 4033.2078 20535.8031 14442.8981 256.2174 -203353.0190 2652.4038 0.0000 0.0000 51860.4084 -109572.0804 298.0425 -161432.4888 -109215.8430 299.3936 276.3139 302.4178 760199.5648 7.7520 7.8961 PRESSURE: 807000 -262.117 25.1245 174.064 25.1254 -74.6211 148.839 174.063 148.839 145.955 GPRESSURE: 807000 -154.804 -103.332 205.104 -58.5606 -104.859 107.29 106.769 236.697 158.127 PRESSAVG: 807000 -1.13007 -26.7546 -32.6892 -26.7546 7.82704 -6.86968 -32.6891 -6.86972 -1.26302 GPRESSAVG: 807000 -0.102192 -27.2034 -33.992 -27.1822 6.50397 -6.58194 -30.3382 -5.3641 -0.7641 TIMING: 807000 CPU: 2538.68, 0.00318511/step Wall: 2538.68, 0.00318511/step, 3.70977 hours remaining, 233.949219 MB of memory in use. ENERGY: 807000 4027.2278 20623.7845 14419.0398 244.6440 -203623.5333 2620.0253 0.0000 0.0000 52188.6154 -109500.1965 299.9287 -161688.8119 -109150.3058 299.1936 -63.5945 -33.8453 759473.9795 1.8113 1.8792 PRESSURE: 807200 450.162 -116.722 -68.5498 -116.722 -48.3026 -3.93778 -68.5506 -3.93964 -82.0681 GPRESSURE: 807200 501.36 -71.4918 -3.02837 -119.536 -43.0925 64.3839 -98.4461 -115.714 -70.2719 PRESSAVG: 807200 -24.1947 -37.9488 -14.1161 -37.9488 82.5433 -14.9394 -14.1163 -14.9394 -25.3031 GPRESSAVG: 807200 -24.4393 -37.6541 -12.2687 -38.4662 83.4597 -15.0831 -15.0881 -14.3172 -25.8332 TIMING: 807200 CPU: 2539.31, 0.00316112/step Wall: 2539.31, 0.00316112/step, 3.68165 hours remaining, 233.949219 MB of memory in use. ENERGY: 807200 3962.0933 20755.0434 14476.3220 229.6840 -203992.2804 2730.3116 0.0000 0.0000 52236.9628 -109601.8632 300.2065 -161838.8260 -109241.9060 299.7897 106.5972 129.3320 759363.4196 11.0152 11.0624 PRESSURE: 807400 197.074 337.053 -142.316 337.052 -176.765 10.315 -142.316 10.317 -134.804 GPRESSURE: 807400 202.935 254.487 -169.138 316.257 -114.706 92.3256 -102.092 -52.1685 -113.847 PRESSAVG: 807400 9.99831 -16.5416 -12.3978 -16.5416 -15.7481 19.0577 -12.3978 19.0576 7.22067 GPRESSAVG: 807400 9.11959 -15.8405 -12.7426 -17.0412 -14.8462 20.6838 -11.9684 17.4617 7.12053 TIMING: 807400 CPU: 2539.94, 0.00315706/step Wall: 2539.94, 0.00315706/step, 3.67675 hours remaining, 233.949219 MB of memory in use. ENERGY: 807400 3976.3751 20613.0737 14387.9356 239.3771 -203743.2039 2739.6685 0.0000 0.0000 52250.9439 -109535.8301 300.2869 -161786.7740 -109170.1018 299.6628 -38.1651 -8.5394 760388.6132 0.4903 0.4646 PRESSURE: 807600 -221.387 -44.0128 -56.5115 -44.0133 -69.161 -32.0634 -56.5108 -32.0631 -421.963 GPRESSURE: 807600 -117.374 -22.8841 -21.2581 -36.5361 -98.1883 -31.2444 -10.9911 -56.9976 -426.808 PRESSAVG: 807600 -40.7777 0.102994 2.72332 0.10299 22.0654 76.2279 2.72331 76.228 12.2898 GPRESSAVG: 807600 -39.8428 0.399615 1.51116 0.374318 22.328 76.1605 4.20818 75.2563 11.3181 TIMING: 807600 CPU: 2540.57, 0.00314446/step Wall: 2540.57, 0.00314446/step, 3.66189 hours remaining, 233.949219 MB of memory in use. ENERGY: 807600 4081.4932 20589.6633 14429.4725 258.2572 -203566.4550 2644.2938 0.0000 0.0000 52044.3719 -109518.9031 299.0997 -161563.2750 -109168.8538 299.6263 -237.5037 -214.1234 762318.3181 -2.1408 -2.0656 PRESSURE: 807800 -64.8476 -150.677 54.5011 -150.678 22.1483 133.952 54.5014 133.952 652.679 GPRESSURE: 807800 71.7691 -89.7279 -12.6591 -220.643 45.3038 114.253 -28.8919 83.1352 567.139 PRESSAVG: 807800 -27.6006 7.83126 11.7325 7.83126 12.3387 62.0295 11.7325 62.0295 15.4524 GPRESSAVG: 807800 -27.3292 8.70159 11.0983 7.00467 11.2006 59.8635 10.2352 63.1519 16.6919 TIMING: 807800 CPU: 2541.2, 0.00315142/step Wall: 2541.2, 0.00315141/step, 3.66982 hours remaining, 233.949219 MB of memory in use. ENERGY: 807800 4014.8291 20535.6647 14463.4664 265.5685 -203819.2494 2728.3904 0.0000 0.0000 52393.2954 -109418.0349 301.1050 -161811.3303 -109066.1853 299.8741 203.3264 228.0707 761720.6321 0.0635 0.1877 PRESSURE: 808000 -481.158 10.1149 -107.812 10.115 -105.201 -37.5403 -107.811 -37.5398 59.4932 GPRESSURE: 808000 -440.693 -7.05498 -162.431 109.087 -33.8151 55.82 -36.2559 43.0418 22.8162 PRESSAVG: 808000 -82.8156 -24.1397 -35.5286 -24.1397 81.1546 32.8969 -35.5286 32.8968 16.8452 GPRESSAVG: 808000 -83.8333 -24.7913 -36.2285 -25.3844 83.8933 34.0187 -33.3491 31.4372 15.2024 TIMING: 808000 CPU: 2541.83, 0.00314518/step Wall: 2541.83, 0.00314518/step, 3.66239 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 808000 4015.3656 20671.7607 14432.6518 258.1034 -203506.2625 2569.5305 0.0000 0.0000 52239.9812 -109318.8694 300.2239 -161558.8506 -108961.6127 299.6613 -175.6221 -150.5639 762597.7179 5.0614 5.0874 PRESSURE: 808200 -85.6853 48.2767 62.2607 48.2775 -76.6404 -2.09852 62.2609 -2.09877 336.916 GPRESSURE: 808200 4.65921 -34.815 95.8847 26.6898 -75.2191 -90.5329 17.3132 43.2995 332.63 PRESSAVG: 808200 33.347 -31.4958 -15.8372 -31.4958 9.71139 -8.49911 -15.8372 -8.4991 -18.4805 GPRESSAVG: 808200 34.7509 -31.5875 -12.9646 -30.6769 6.72898 -8.3377 -16.7735 -10.2356 -16.9019 TIMING: 808200 CPU: 2542.46, 0.00315677/step Wall: 2542.46, 0.00315677/step, 3.6757 hours remaining, 233.949219 MB of memory in use. ENERGY: 808200 4017.1126 20606.9001 14437.4275 237.1264 -203294.2087 2443.4751 0.0000 0.0000 52228.0730 -109324.0940 300.1555 -161552.1670 -108958.8050 299.8620 58.1968 87.3567 762245.6676 8.1926 8.1927 LDB: ============= START OF LOAD BALANCING ============== 2554.86 LDB: ============== END OF LOAD BALANCING =============== 2554.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2554.86 LDB: ============= START OF LOAD BALANCING ============== 2555.18 LDB: Largest compute 7077 load 0.032153 is 16.4% of average load 0.195909 LDB: Average compute 0.004334 is 2.2% of average load 0.195909 LDB: TIME 2555.18 LOAD: AVG 0.195909 MAX 0.21691 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.719 MB LDB: TIME 2555.18 LOAD: AVG 0.195909 MAX 0.21691 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: TIME 2555.18 LOAD: AVG 0.195909 MAX 0.21691 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: ============== END OF LOAD BALANCING =============== 2555.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2555.19 PRESSURE: 808400 -189.514 78.0289 -146.046 78.0285 231.347 17.0759 -146.046 17.0755 -507.956 GPRESSURE: 808400 -112.849 145.109 -82.6039 4.7594 284.196 -51.4061 -103.886 -4.90463 -555.694 PRESSAVG: 808400 1.66271 -44.8025 -1.42929 -44.8024 -0.0459746 21.643 -1.42934 21.643 17.5097 GPRESSAVG: 808400 1.52872 -46.3384 -3.18943 -43.0595 1.41226 21.5194 -2.18045 23.8781 16.4587 TIMING: 808400 CPU: 2543.11, 0.00322176/step Wall: 2543.11, 0.00322176/step, 3.7512 hours remaining, 234.777344 MB of memory in use. ENERGY: 808400 4117.8004 20564.1287 14521.6883 248.3465 -203428.0914 2479.3954 0.0000 0.0000 52221.0256 -109275.7065 300.1150 -161496.7321 -108917.1097 299.8803 -155.3744 -128.1158 761094.2264 6.3755 6.4666 PRESSURE: 808600 -75.1425 -113.668 15.7602 -113.668 151.22 -64.4496 15.76 -64.4506 -200.536 GPRESSURE: 808600 74.4564 -72.4119 -80.8955 7.00566 82.2367 -79.7734 28.5261 -125.968 -212.644 PRESSAVG: 808600 -8.27592 -1.76022 -18.8968 -1.76026 16.8678 -36.8962 -18.8968 -36.8963 9.73906 GPRESSAVG: 808600 -9.06021 -0.768682 -19.1432 -3.26727 15.1507 -35.6918 -17.8443 -37.756 12.0243 TIMING: 808600 CPU: 2543.74, 0.0031469/step Wall: 2543.74, 0.0031469/step, 3.66386 hours remaining, 234.847656 MB of memory in use. ENERGY: 808600 4007.8120 20449.6445 14431.1148 240.3370 -203547.9513 2663.9545 0.0000 0.0000 52346.5109 -109408.5778 300.8361 -161755.0887 -109030.8351 300.1271 -41.4860 -18.6504 760583.5984 6.1103 6.0383 PRESSURE: 808800 73.1128 -105.237 -88.1122 -105.237 -200.589 21.7534 -88.112 21.7534 -360.455 GPRESSURE: 808800 146.108 7.20966 -118.762 -11.7689 -173.924 69.3432 -58.1093 54.6058 -369.144 PRESSAVG: 808800 -53.5624 -17.3207 11.3938 -17.3207 62.9295 -3.64731 11.3939 -3.64742 -16.4657 GPRESSAVG: 808800 -52.5372 -16.3518 10.7924 -16.5241 63.4903 -5.14001 9.88018 -3.71991 -18.0027 TIMING: 808800 CPU: 2544.37, 0.00315182/step Wall: 2544.37, 0.00315181/step, 3.66941 hours remaining, 234.886719 MB of memory in use. ENERGY: 808800 4056.1611 20835.0560 14400.1281 243.7512 -203373.8722 2407.1790 0.0000 0.0000 52095.6809 -109335.9157 299.3946 -161431.5966 -108979.5151 300.2800 -162.6437 -132.3202 759361.9201 -2.3662 -2.3499 PRESSURE: 809000 -292.015 88.9164 -6.66246 88.9169 16.8978 64.7735 -6.66319 64.7739 55.0242 GPRESSURE: 809000 -187.528 -2.21938 95.4199 156.865 74.9784 62.3112 66.5101 115.622 -7.32525 PRESSAVG: 809000 -9.96495 -16.7669 -19.1007 -16.7668 5.55867 36.763 -19.1007 36.763 15.384 GPRESSAVG: 809000 -11.0254 -17.9424 -17.9955 -17.9261 6.17502 36.9476 -17.4928 37.0319 16.0114 TIMING: 809000 CPU: 2544.99, 0.00313461/step Wall: 2544.99, 0.00313461/step, 3.64921 hours remaining, 234.886719 MB of memory in use. ENERGY: 809000 3974.8909 20551.8079 14324.9413 256.4897 -202779.5490 2383.5815 0.0000 0.0000 51903.0792 -109384.7585 298.2877 -161287.8376 -109017.7217 299.3878 -73.3642 -39.9584 762366.0299 3.6592 3.7203 PRESSURE: 809200 111.834 -198.975 169.82 -198.976 78.5157 -127.912 169.821 -127.911 58.9117 GPRESSURE: 809200 172.704 -228.758 167.041 -280.349 116.731 -111.665 107.133 -32.9871 37.5472 PRESSAVG: 809200 -14.2066 -51.4944 1.57718 -51.4944 12.7919 -44.2786 1.57718 -44.2786 -6.80647 GPRESSAVG: 809200 -14.8077 -53.4895 1.00276 -49.252 13.3645 -43.8633 0.43666 -43.3565 -6.54954 TIMING: 809200 CPU: 2545.62, 0.00314842/step Wall: 2545.62, 0.00314842/step, 3.66511 hours remaining, 234.886719 MB of memory in use. ENERGY: 809200 3987.8328 20432.2844 14499.8659 229.3198 -203544.0713 2992.3629 0.0000 0.0000 52057.5578 -109344.8476 299.1755 -161402.4055 -108985.7679 299.3856 83.0872 108.9941 761506.5295 -2.7404 -2.6642 PRESSURE: 809400 288.73 -15.2094 187.505 -15.2095 62.3695 186.938 187.505 186.938 233.501 GPRESSURE: 809400 300.667 -120.15 182.686 70.1163 62.1465 179.665 157.578 83.3356 298.3 PRESSAVG: 809400 -43.8871 -2.44563 114.753 -2.44558 53.5328 32.8263 114.753 32.8263 -1.5004 GPRESSAVG: 809400 -43.3605 -2.42541 115.084 -1.73394 52.6433 30.9125 113.049 32.6852 -1.55622 TIMING: 809400 CPU: 2546.25, 0.00314539/step Wall: 2546.25, 0.00314539/step, 3.66141 hours remaining, 234.886719 MB of memory in use. ENERGY: 809400 3921.8645 20397.6486 14497.2216 242.6539 -203405.1683 2698.8381 0.0000 0.0000 52120.6541 -109526.2876 299.5381 -161646.9417 -109149.5100 299.2276 194.8669 220.3714 761084.7979 2.7151 2.5755 PRESSURE: 809600 -329.145 -17.5795 36.096 -17.5788 -159.377 -75.5106 36.0954 -75.5109 -304.743 GPRESSURE: 809600 -290.409 57.1657 20.2257 -58.2056 -158.442 -8.84885 33.8373 -110.739 -248.275 PRESSAVG: 809600 58.2031 -9.17242 3.13056 -9.1724 -20.3071 5.6784 3.13055 5.67849 -2.04647 GPRESSAVG: 809600 58.3006 -9.45147 1.80714 -9.71142 -20.7021 5.94464 5.59239 5.38261 -1.7028 TIMING: 809600 CPU: 2546.88, 0.00314754/step Wall: 2546.88, 0.00314754/step, 3.66374 hours remaining, 234.886719 MB of memory in use. ENERGY: 809600 4043.1972 20602.7659 14418.7521 239.9091 -203159.2648 2335.9721 0.0000 0.0000 52121.4232 -109397.2452 299.5425 -161518.6684 -109033.0206 299.4597 -264.4219 -232.3754 761969.0162 11.9498 11.9652 PRESSURE: 809800 14.2406 -191.702 18.3699 -191.702 -253.045 55.481 18.3695 55.4808 6.65038 GPRESSURE: 809800 6.75391 -127.999 89.3697 -138.655 -120.436 101.643 67.8841 -27.4301 -11.5722 PRESSAVG: 809800 12.1759 -64.776 -1.15608 -64.776 -37.9813 11.2686 -1.15617 11.2685 -12.4986 GPRESSAVG: 809800 12.4932 -64.4027 1.88883 -63.5679 -36.6032 12.839 -1.22818 8.79783 -13.7144 TIMING: 809800 CPU: 2547.51, 0.0031451/step Wall: 2547.51, 0.0031451/step, 3.66072 hours remaining, 234.886719 MB of memory in use. ENERGY: 809800 3973.4805 20363.0011 14428.8276 253.4703 -202998.2992 2498.5125 0.0000 0.0000 52023.5317 -109457.4753 298.9800 -161481.0071 -109096.4461 298.9848 -77.3845 -41.7513 762822.3656 -12.7680 -12.6081 PRESSURE: 810000 -8.83557 -129.529 109.551 -129.528 -27.1174 -3.0988 109.551 -3.09966 -204.595 GPRESSURE: 810000 -49.6207 -173.639 -7.4495 -96.457 28.8841 -37.4277 76.3356 -10.293 -123.134 PRESSAVG: 810000 23.9272 -12.912 60.9445 -12.912 -8.71996 -40.1832 60.9446 -40.1831 7.72635 GPRESSAVG: 810000 24.3586 -12.4292 59.9485 -15.3622 -9.74225 -39.7309 58.6032 -37.8871 8.21692 TIMING: 810000 CPU: 2548.14, 0.00313669/step Wall: 2548.14, 0.00313669/step, 3.65076 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 810000 4029.5527 20599.5330 14487.9988 240.9065 -203931.3460 3053.0486 0.0000 0.0000 52224.8555 -109295.4508 300.1370 -161520.3063 -108934.5279 299.6405 -80.1827 -47.9568 761850.3068 7.6445 7.6111 PRESSURE: 810200 70.4353 -2.57352 92.7077 -2.57283 -28.423 78.744 92.7078 78.7444 175.966 GPRESSURE: 810200 138.441 -88.9828 61.0248 -52.0195 -32.8129 146.704 40.0788 191.284 217.661 PRESSAVG: 810200 27.1195 -46.3237 3.64917 -46.3238 -37.7724 19.5328 3.64913 19.5328 -13.974 GPRESSAVG: 810200 27.6946 -46.4426 3.32897 -47.0442 -38.4942 18.9541 3.9682 19.2333 -13.7871 TIMING: 810200 CPU: 2548.77, 0.00314326/step Wall: 2548.77, 0.00314325/step, 3.65822 hours remaining, 235.031250 MB of memory in use. ENERGY: 810200 3973.1275 20748.3491 14436.2482 266.6950 -203230.9924 2442.2164 0.0000 0.0000 52025.9352 -109338.4208 298.9938 -161364.3560 -108983.4855 300.2985 72.6595 107.7629 760854.8368 -8.2090 -8.1955 PRESSURE: 810400 31.9584 -137.357 55.6916 -137.358 -177.081 -167.955 55.6906 -167.954 -51.7657 GPRESSURE: 810400 72.6162 -125.96 96.0515 -174.669 -141.361 -121.62 25.3455 -266.907 -50.1966 PRESSAVG: 810400 51.2954 -25.0858 -14.3342 -25.0857 -39.5409 36.4165 -14.3343 36.4166 -20.7024 GPRESSAVG: 810400 51.147 -24.632 -14.1111 -23.1565 -39.6351 35.4787 -12.2305 37.646 -21.0943 TIMING: 810400 CPU: 2549.39, 0.00313896/step Wall: 2549.39, 0.00313896/step, 3.65305 hours remaining, 235.031250 MB of memory in use. ENERGY: 810400 3926.5312 20645.6042 14434.7715 256.6786 -203527.8123 2591.9098 0.0000 0.0000 52390.2115 -109282.1055 301.0873 -161672.3170 -108906.3830 299.7829 -65.6295 -39.6472 759991.5473 -2.9826 -3.1941 PRESSURE: 810600 -395.369 -170.922 -44.8301 -170.922 -150.635 68.6072 -44.8301 68.6073 -213.952 GPRESSURE: 810600 -325.155 -234.956 -68.3553 -79.7586 -149.801 94.3616 -16.9499 -67.4766 -181.945 PRESSAVG: 810600 1.91452 -21.2143 54.69 -21.2143 26.267 47.6895 54.6901 47.6895 -0.133105 GPRESSAVG: 810600 1.78028 -20.8426 54.5494 -22.1257 26.9264 47.6516 53.5343 44.6757 -0.486976 TIMING: 810600 CPU: 2550.03, 0.00315335/step Wall: 2550.03, 0.00315335/step, 3.66962 hours remaining, 235.031250 MB of memory in use. ENERGY: 810600 4040.7642 20617.7396 14419.6324 261.5151 -203397.6363 2429.4659 0.0000 0.0000 52156.8905 -109471.6285 299.7464 -161628.5190 -109116.0387 299.9622 -253.3188 -218.9670 762500.9698 9.3495 9.4066 PRESSURE: 810800 185.116 -30.9704 144.868 -30.9704 197.985 199.632 144.867 199.633 419.175 GPRESSURE: 810800 269.973 -136.681 215.682 -50.6749 269.474 204.125 92.117 208.467 347.515 PRESSAVG: 810800 -9.06342 -46.6418 1.12613 -46.6418 39.5264 90.1718 1.12617 90.1717 7.31019 GPRESSAVG: 810800 -9.13702 -48.3769 0.333706 -45.5495 38.8705 90.1082 0.421333 91.5257 8.54329 TIMING: 810800 CPU: 2550.66, 0.00316191/step Wall: 2550.66, 0.00316191/step, 3.67941 hours remaining, 235.031250 MB of memory in use. ENERGY: 810800 3930.8349 20692.4185 14393.2808 252.3728 -203660.3354 2807.0781 0.0000 0.0000 52090.0133 -109494.3370 299.3620 -161584.3503 -109127.5819 299.7794 267.4255 295.6540 762284.0290 12.5910 12.7589 PRESSURE: 811000 -3.64723 27.5846 78.4272 27.5851 -55.8822 63.8227 78.4269 63.8221 -282.487 GPRESSURE: 811000 27.9533 112.554 189.484 64.5519 -65.0922 47.7436 17.9782 17.2336 -224.82 PRESSAVG: 811000 30.3489 -34.9457 24.8995 -34.9458 -34.8596 23.9158 24.8995 23.9158 -1.14568 GPRESSAVG: 811000 29.8116 -34.4476 25.4774 -35.0568 -33.4446 25.147 26.1356 24.456 -2.3837 TIMING: 811000 CPU: 2551.29, 0.00316257/step Wall: 2551.29, 0.00316257/step, 3.68 hours remaining, 235.031250 MB of memory in use. ENERGY: 811000 4003.0239 20483.0187 14459.8686 267.9605 -203527.6304 2608.4974 0.0000 0.0000 52261.8079 -109443.4534 300.3493 -161705.2613 -109078.1177 299.3238 -114.0054 -87.3195 761310.5492 -1.8855 -2.0056 PRESSURE: 811200 25.8195 35.3348 -18.4334 35.3349 -187.218 -99.8663 -18.4325 -99.8666 -187.389 GPRESSURE: 811200 84.8547 78.6612 -35.4349 -0.172823 -138.505 -73.1827 180.797 -33.6413 -212.327 PRESSAVG: 811200 42.1605 12.9657 48.32 12.9657 -72.1185 -4.03257 48.3199 -4.03261 -4.63689 GPRESSAVG: 811200 43.5932 14.224 47.2246 12.641 -72.0058 -4.06112 45.6569 -4.09859 -6.02976 TIMING: 811200 CPU: 2551.92, 0.00316055/step Wall: 2551.92, 0.00316055/step, 3.67747 hours remaining, 235.031250 MB of memory in use. ENERGY: 811200 3979.8152 20563.3772 14444.8683 245.6166 -203700.8686 2755.1495 0.0000 0.0000 52353.4211 -109358.6206 300.8758 -161712.0417 -109003.1628 299.4316 -116.2624 -88.6591 761073.7182 -11.5316 -11.4808 PRESSURE: 811400 -196.345 -104.43 92.3698 -104.43 -150.737 35.2318 92.3694 35.2333 -41.408 GPRESSURE: 811400 -182.935 -163.894 19.7487 -57.2675 -108.896 109.939 57.3539 -41.9568 -13.1517 PRESSAVG: 811400 9.16729 11.2818 -26.6021 11.2819 26.9943 10.1782 -26.6021 10.1782 -23.4324 GPRESSAVG: 811400 7.51587 9.62674 -23.2501 13.9054 27.8059 9.93023 -26.8904 11.7311 -22.0613 TIMING: 811400 CPU: 2552.55, 0.00314918/step Wall: 2552.55, 0.00314918/step, 3.66408 hours remaining, 235.031250 MB of memory in use. ENERGY: 811400 3908.0098 20522.6591 14470.5752 224.8438 -203195.6088 2513.3993 0.0000 0.0000 52291.8753 -109264.2462 300.5221 -161556.1216 -108908.3421 299.7266 -129.4967 -101.6610 762498.9403 4.2431 4.4201 PRESSURE: 811600 303.301 108.204 167.648 108.205 323.177 -41.1195 167.648 -41.1199 98.1553 GPRESSURE: 811600 330.969 -89.5625 190.643 -10.862 371.276 -61.9793 104.437 -56.0347 114.376 PRESSAVG: 811600 33.3909 35.6962 5.49359 35.6963 -52.0814 9.20055 5.4936 9.20056 7.70073 GPRESSAVG: 811600 33.8882 35.6825 4.31393 34.0751 -52.5529 9.13785 8.52804 7.66708 8.0716 TIMING: 811600 CPU: 2553.19, 0.00317911/step Wall: 2553.19, 0.00317911/step, 3.69872 hours remaining, 235.031250 MB of memory in use. ENERGY: 811600 3955.9453 20533.4588 14425.1336 222.3404 -203726.3250 2907.2453 0.0000 0.0000 52286.2651 -109395.9365 300.4899 -161682.2016 -109020.7816 299.5733 241.5445 272.2071 761647.7569 -3.6632 -3.5310 PRESSURE: 811800 -84.5434 -132.692 -38.6967 -132.692 -580.02 66.0266 -38.6965 66.0263 -235.544 GPRESSURE: 811800 15.161 -57.2005 34.0045 -12.4355 -540.602 13.0157 -38.9535 39.3592 -297.553 PRESSAVG: 811800 14.0948 -8.81843 30.767 -8.81842 -17.4879 -16.5722 30.7671 -16.5723 1.06581 GPRESSAVG: 811800 15.7607 -7.50064 29.0894 -7.91822 -18.7303 -19.0389 28.4201 -15.2599 1.34452 TIMING: 811800 CPU: 2553.82, 0.00316096/step Wall: 2553.82, 0.00316096/step, 3.67742 hours remaining, 235.031250 MB of memory in use. ENERGY: 811800 4014.5592 20497.2410 14469.6328 234.7020 -202961.5986 2417.0776 0.0000 0.0000 51866.6714 -109461.7145 298.0785 -161328.3859 -109097.3500 299.4286 -300.0357 -274.3314 763091.9054 -0.7758 -0.5417 PRESSURE: 812000 -171.966 36.1488 134.453 36.1494 215.161 54.15 134.453 54.1493 168.618 GPRESSURE: 812000 -202.448 55.9315 6.07666 -97.2039 271.484 84.359 226.42 1.02344 235.435 PRESSAVG: 812000 6.01835 9.22894 36.389 9.2289 30.7616 19.7126 36.389 19.7126 16.2585 GPRESSAVG: 812000 3.2461 9.92489 37.9276 8.11345 32.7041 21.4762 36.8542 16.7769 17.1346 TIMING: 812000 CPU: 2554.45, 0.0031555/step Wall: 2554.45, 0.0031555/step, 3.67089 hours remaining, 235.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 812000 3990.6957 20578.6584 14409.5324 253.4680 -203060.4067 2457.3615 0.0000 0.0000 52161.0197 -109209.6711 299.7701 -161370.6908 -108841.8198 299.5818 70.6043 101.4906 760329.1043 17.6795 17.6949 PRESSURE: 812200 -1.54427 0.69392 -17.9168 0.69434 124.897 7.22724 -17.9164 7.22599 -115.322 GPRESSURE: 812200 82.4675 35.0812 -49.5757 -32.4459 147.256 22.6008 94.8136 -104.159 -148.516 PRESSAVG: 812200 -2.71795 11.229 -45.8854 11.229 3.10044 28.1557 -45.8854 28.1558 5.66513 GPRESSAVG: 812200 -0.924514 10.086 -44.8666 10.3045 2.62442 26.5341 -44.9444 30.2064 4.95971 TIMING: 812200 CPU: 2555.08, 0.00316763/step Wall: 2555.08, 0.00316763/step, 3.68484 hours remaining, 235.031250 MB of memory in use. ENERGY: 812200 3964.7376 20664.3195 14426.6662 242.8253 -203248.9055 2596.5327 0.0000 0.0000 52175.4793 -109178.3449 299.8532 -161353.8242 -108816.7004 299.6549 2.6770 27.0691 761514.2231 2.0159 2.2199 LDB: ============= START OF LOAD BALANCING ============== 2567.48 LDB: ============== END OF LOAD BALANCING =============== 2567.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2567.48 LDB: ============= START OF LOAD BALANCING ============== 2567.8 LDB: Largest compute 7077 load 0.034109 is 17.4% of average load 0.195822 LDB: Average compute 0.004346 is 2.2% of average load 0.195822 LDB: TIME 2567.81 LOAD: AVG 0.195822 MAX 0.220135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.742 MB LDB: TIME 2567.81 LOAD: AVG 0.195822 MAX 0.220135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.809 MB LDB: TIME 2567.81 LOAD: AVG 0.195822 MAX 0.214808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.809 MB LDB: ============== END OF LOAD BALANCING =============== 2567.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2567.81 PRESSURE: 812400 -174.969 -31.1926 -150.974 -31.192 338.252 -165.585 -150.974 -165.585 -138.216 GPRESSURE: 812400 -38.6935 167.848 -152.291 15.7137 262.421 -176.475 -224.956 -201.322 -128.477 PRESSAVG: 812400 -35.0965 -21.2103 10.1519 -21.2103 48.2072 -9.60449 10.1519 -9.6045 13.9883 GPRESSAVG: 812400 -33.079 -21.4146 7.7009 -18.0589 46.9996 -9.0988 9.02206 -6.93571 13.3244 TIMING: 812400 CPU: 2555.73, 0.00323808/step Wall: 2555.73, 0.00323808/step, 3.7666 hours remaining, 234.847656 MB of memory in use. ENERGY: 812400 3997.2677 20463.0671 14392.6335 256.1191 -203407.9223 2851.0806 0.0000 0.0000 52055.7242 -109392.0302 299.1650 -161447.7545 -109033.3634 299.7503 8.3556 31.7503 762446.3862 9.0330 9.0817 PRESSURE: 812600 -168.69 178.7 -28.1035 178.7 -244.809 -33.6136 -28.1023 -33.6144 188.988 GPRESSURE: 812600 -77.2418 96.2508 10.1642 165.395 -125.223 52.2308 -5.20672 -24.2641 78.9614 PRESSAVG: 812600 -33.357 -5.68039 -12.5924 -5.68036 35.498 36.8818 -12.5924 36.8818 -0.392324 GPRESSAVG: 812600 -33.9964 -4.25959 -11.0917 -9.4587 36.2885 37.5463 -11.605 36.5528 -0.291638 TIMING: 812600 CPU: 2556.37, 0.00317828/step Wall: 2556.37, 0.00317828/step, 3.69687 hours remaining, 234.847656 MB of memory in use. ENERGY: 812600 3989.3905 20333.9926 14445.4399 244.0775 -203177.6897 2403.1556 0.0000 0.0000 52315.5157 -109446.1179 300.6580 -161761.6336 -109071.8121 299.4729 -74.8369 -41.1677 761174.3559 0.5829 0.6668 PRESSURE: 812800 -309.967 70.7132 239.396 70.7128 -254.688 110.865 239.396 110.864 236.565 GPRESSURE: 812800 -266.693 72.5575 312.181 -75.7613 -187.488 131.44 152.362 198.978 194.293 PRESSAVG: 812800 -0.203115 -21.4978 64.0435 -21.4978 2.3914 -8.4986 64.0435 -8.49862 -11.4437 GPRESSAVG: 812800 0.127665 -22.2671 62.6719 -21.4124 2.45507 -7.20235 62.7408 -9.40596 -11.7917 TIMING: 812800 CPU: 2557, 0.00317046/step Wall: 2557, 0.00317046/step, 3.68759 hours remaining, 234.847656 MB of memory in use. ENERGY: 812800 4027.3887 20523.5402 14431.6120 245.3683 -202960.3403 2460.4658 0.0000 0.0000 51760.9059 -109511.0594 297.4706 -161271.9652 -109146.6983 299.3341 -109.3633 -86.6295 762374.9166 -3.0852 -3.0696 PRESSURE: 813000 124.993 23.2582 -155.276 23.2576 206.886 -62.7147 -155.278 -62.7148 -163.914 GPRESSURE: 813000 97.7619 -29.6727 -65.1194 143.038 232.639 -64.5531 -86.0532 30.8545 -78.1812 PRESSAVG: 813000 -0.686182 18.1094 11.8559 18.1093 23.4005 44.7935 11.856 44.7935 25.3427 GPRESSAVG: 813000 -1.97405 17.9081 11.4438 20.8897 23.5341 44.9458 14.5338 42.9516 26.5491 TIMING: 813000 CPU: 2557.63, 0.0031503/step Wall: 2557.63, 0.0031503/step, 3.66397 hours remaining, 234.847656 MB of memory in use. ENERGY: 813000 4032.2543 20627.0215 14363.6905 236.6107 -203269.9817 2562.9824 0.0000 0.0000 52111.5128 -109335.9096 299.4856 -161447.4224 -108974.3573 299.4102 55.9882 84.0734 761101.0457 16.0190 16.0364 PRESSURE: 813200 -236.332 -110.423 81.7799 -110.423 -194.757 -64.5945 81.779 -64.594 -161.595 GPRESSURE: 813200 -235.659 -49.5958 48.9109 -201.484 -103.527 -105.577 72.9977 -117.657 -170.281 PRESSAVG: 813200 -6.62023 -11.0621 25.2289 -11.0621 -12.2629 -11.3228 25.2288 -11.3229 -11.7846 GPRESSAVG: 813200 -7.23582 -7.8819 28.1987 -15.419 -9.48493 -13.2018 21.5558 -9.15627 -13.8873 TIMING: 813200 CPU: 2558.27, 0.0031723/step Wall: 2558.27, 0.0031723/step, 3.68938 hours remaining, 234.847656 MB of memory in use. ENERGY: 813200 3932.7053 20546.4864 14507.9488 241.0252 -203401.8329 2484.3947 0.0000 0.0000 52273.7415 -109415.5310 300.4179 -161689.2725 -109052.3100 299.5336 -197.5614 -169.8226 761631.9646 -10.2226 -10.2027 PRESSURE: 813400 -180.04 -27.4324 87.4316 -27.4327 230.061 140.129 87.4316 140.129 -84.5322 GPRESSURE: 813400 -184.048 -54.1082 107.018 -169.956 305.969 171.506 35.4068 186.151 -82.186 PRESSAVG: 813400 25.7021 -20.4808 9.01358 -20.4809 -3.5993 2.41514 9.01356 2.41526 17.671 GPRESSAVG: 813400 27.2559 -21.8405 7.61883 -19.9371 -5.1189 4.60522 10.9707 -0.363083 17.8256 TIMING: 813400 CPU: 2558.9, 0.00317666/step Wall: 2558.9, 0.00317666/step, 3.69428 hours remaining, 234.847656 MB of memory in use. ENERGY: 813400 4004.1638 20467.5037 14469.0507 251.6639 -203267.8846 2561.5183 0.0000 0.0000 52113.7059 -109400.2783 299.4982 -161513.9843 -109030.9448 299.3862 -11.5038 13.2451 760713.5814 13.2579 13.3209 PRESSURE: 813600 198.54 165.642 -14.4741 165.641 -11.0204 93.6092 -14.4739 93.6094 179.648 GPRESSURE: 813600 126.694 216.936 18.3929 77.2092 52.1527 96.2021 126.894 34.367 273.93 PRESSAVG: 813600 5.37532 -28.5737 19.0557 -28.5737 15.7292 8.5451 19.0557 8.54508 -20.0274 GPRESSAVG: 813600 3.88675 -30.0667 18.9384 -26.197 16.1822 8.16537 19.6993 10.2616 -19.7891 TIMING: 813600 CPU: 2559.54, 0.00317871/step Wall: 2559.54, 0.00317871/step, 3.69649 hours remaining, 234.847656 MB of memory in use. ENERGY: 813600 3941.5641 20526.6250 14438.0997 261.6074 -203048.0556 2418.5818 0.0000 0.0000 52071.8685 -109389.7090 299.2577 -161461.5775 -109032.7003 299.4101 122.3891 150.9258 760026.9046 0.3590 0.0933 PRESSURE: 813800 204.281 -54.5568 131.511 -54.5555 -172.446 21.1943 131.511 21.1943 11.5874 GPRESSURE: 813800 180.143 -153.603 76.2995 -100.93 -180.205 126.057 99.4718 8.77818 124.043 PRESSAVG: 813800 27.7123 -14.5621 51.3062 -14.5621 27.3593 -1.05766 51.3063 -1.0577 -20.9768 GPRESSAVG: 813800 27.0795 -14.0516 51.6368 -14.9709 26.0732 -0.662177 49.5776 -2.77357 -19.0441 TIMING: 813800 CPU: 2560.17, 0.00317611/step Wall: 2560.17, 0.00317611/step, 3.69329 hours remaining, 234.847656 MB of memory in use. ENERGY: 813800 4027.0936 20562.8171 14493.9048 245.1415 -203205.8044 2580.1746 0.0000 0.0000 52069.8459 -109226.8270 299.2461 -161296.6729 -108863.9932 299.1274 14.4741 41.3270 760545.6576 11.3649 11.3695 PRESSURE: 814000 332.972 -215.64 -51.2091 -215.64 197.653 -195.589 -51.2101 -195.589 204.717 GPRESSURE: 814000 278.831 -180.259 -55.4558 -244.873 284.645 -140.788 -75.8851 -29.0101 262.429 PRESSAVG: 814000 21.2818 -28.1727 17.6124 -28.1726 -9.22152 -14.5377 17.6123 -14.5377 3.89824 GPRESSAVG: 814000 20.6607 -28.8119 17.3962 -29.553 -8.13654 -14.6003 17.9709 -14.8279 3.02534 TIMING: 814000 CPU: 2560.81, 0.00317871/step Wall: 2560.81, 0.00317871/step, 3.69613 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 814000 4003.6780 20428.9592 14536.7349 247.6298 -203561.6392 2683.0140 0.0000 0.0000 52256.8839 -109404.7395 300.3210 -161661.6234 -109042.6262 299.4537 245.1143 275.3017 760483.6867 5.3195 5.1832 PRESSURE: 814200 197.03 118.032 130.047 118.032 94.7012 -136.913 130.047 -136.912 534.706 GPRESSURE: 814200 264.363 87.5138 77.9722 -32.2166 117.057 -141.142 -12.9144 -52.1968 513.364 PRESSAVG: 814200 -8.28379 -6.45354 15.2116 -6.4535 22.3178 3.59845 15.2116 3.59842 -27.2855 GPRESSAVG: 814200 -6.91492 -6.51284 14.5591 -6.64326 22.2064 4.56743 14.771 6.92074 -28.8195 TIMING: 814200 CPU: 2561.45, 0.00318568/step Wall: 2561.45, 0.00318568/step, 3.70406 hours remaining, 234.847656 MB of memory in use. ENERGY: 814200 3962.0110 20459.9392 14543.0840 257.3780 -203154.4531 2610.4872 0.0000 0.0000 51915.2204 -109406.3333 298.3575 -161321.5537 -109043.9847 298.8693 275.4790 298.2615 759558.1479 -4.4172 -4.5094 PRESSURE: 814400 188.274 93.5655 250.743 93.5663 -133.62 63.2261 250.744 63.2256 32.1352 GPRESSURE: 814400 197.831 169.518 221.047 13.2388 -94.7491 83.75 189.9 -66.3227 64.7814 PRESSAVG: 814400 13.991 -38.024 46.8855 -38.0241 1.17788 -39.2908 46.8854 -39.2909 -23.504 GPRESSAVG: 814400 13.4021 -38.3566 48.7218 -36.366 1.24668 -40.7954 46.0583 -41.163 -22.7773 TIMING: 814400 CPU: 2562.08, 0.00317314/step Wall: 2562.08, 0.00317314/step, 3.6893 hours remaining, 234.847656 MB of memory in use. ENERGY: 814400 3931.5521 20385.4218 14416.0678 258.5529 -203043.4939 2487.7318 0.0000 0.0000 52145.7054 -109418.4620 299.6821 -161564.1674 -109047.0836 298.8676 28.9299 55.9543 761876.9740 -2.7784 -2.7095 PRESSURE: 814600 138.677 47.1691 -14.9685 47.1693 -95.4681 88.5063 -14.969 88.5044 -31.2018 GPRESSURE: 814600 101.54 104.312 29.6045 64.2846 -65.7102 142.463 -39.5596 -10.2828 48.3249 PRESSAVG: 814600 -14.6572 47.4438 58.5328 47.4438 16.422 -24.0562 58.5327 -24.0562 -7.43083 GPRESSAVG: 814600 -13.8966 49.725 59.1552 46.6796 15.0768 -23.7437 60.3992 -23.5368 -7.43244 TIMING: 814600 CPU: 2562.71, 0.00317211/step Wall: 2562.71, 0.00317211/step, 3.68793 hours remaining, 234.847656 MB of memory in use. ENERGY: 814600 3893.9081 20435.9868 14532.1041 235.8324 -203117.5679 2509.4618 0.0000 0.0000 52008.4655 -109501.8093 298.8934 -161510.2748 -109126.6549 299.1663 4.0023 28.0514 760781.6593 -1.8887 -2.0841 PRESSURE: 814800 -66.3083 135.502 -76.1451 135.501 -56.1122 184.149 -76.144 184.149 336.567 GPRESSURE: 814800 -29.2828 86.3134 -110.951 71.3778 30.9562 154.528 -14.3811 171.553 320.614 PRESSAVG: 814800 -15.1868 -2.33463 1.6204 -2.33466 33.2138 20.8758 1.6204 20.8758 6.1301 GPRESSAVG: 814800 -15.7729 -6.51966 0.922724 -1.05272 33.1641 19.8405 0.949251 20.1988 6.92728 TIMING: 814800 CPU: 2563.35, 0.00317341/step Wall: 2563.35, 0.00317341/step, 3.68927 hours remaining, 234.847656 MB of memory in use. ENERGY: 814800 3924.5104 20576.4390 14505.0961 234.3529 -203706.4020 2867.8030 0.0000 0.0000 52150.3267 -109447.8738 299.7086 -161598.2005 -109083.0906 299.3554 71.3823 107.4291 759405.5538 8.0524 8.1062 PRESSURE: 815000 -345.552 -177.826 20.4433 -177.826 -212.958 -54.4559 20.4433 -54.456 -48.8621 GPRESSURE: 815000 -240.62 -186.914 69.765 -107.769 -178.005 -12.8509 -114.22 -84.9971 -98.8133 PRESSAVG: 815000 -5.53631 1.16995 -40.6355 1.16994 -17.4702 -4.56407 -40.6355 -4.56411 -0.272615 GPRESSAVG: 815000 -5.118 2.17981 -38.0624 0.848018 -16.6358 -4.86957 -41.9988 -6.60941 -1.41723 TIMING: 815000 CPU: 2563.98, 0.00317308/step Wall: 2563.98, 0.00317308/step, 3.68871 hours remaining, 234.847656 MB of memory in use. ENERGY: 815000 3940.4258 20609.9038 14440.5880 247.5523 -203377.2602 2534.7510 0.0000 0.0000 52038.0359 -109566.0036 299.0633 -161604.0394 -109198.5185 299.3836 -202.4577 -172.4796 758869.1495 -7.7597 -7.7237 PRESSURE: 815200 333.61 58.8928 -30.9749 58.8922 108.265 -16.7273 -30.975 -16.7267 564.641 GPRESSURE: 815200 349.954 136.646 -63.6954 33.0316 169.304 -26.0613 60.2328 43.7713 581.84 PRESSAVG: 815200 21.2552 11.5674 -11.1084 11.5674 -3.918 -58.7331 -11.1085 -58.733 8.34439 GPRESSAVG: 815200 21.7001 11.987 -13.5922 11.4257 -5.66405 -57.4399 -9.62956 -57.7675 9.10344 TIMING: 815200 CPU: 2564.62, 0.00316911/step Wall: 2564.62, 0.00316911/step, 3.68392 hours remaining, 234.847656 MB of memory in use. ENERGY: 815200 3928.7652 20574.2667 14517.5692 237.0236 -203888.7218 2979.6773 0.0000 0.0000 52104.5223 -109546.8975 299.4454 -161651.4197 -109186.5343 299.2496 335.5052 367.0325 760488.2750 8.5605 8.3798 PRESSURE: 815400 -90.2682 27.2424 -21.23 27.2427 100.198 -34.3732 -21.2294 -34.3726 80.9253 GPRESSURE: 815400 -33.9555 1.08503 -115.096 16.6274 102.461 -96.6288 -55.6328 9.27246 134.394 PRESSAVG: 815400 -19.322 -22.101 19.0256 -22.1011 -1.2072 -32.2667 19.0256 -32.2668 -35.0651 GPRESSAVG: 815400 -18.9511 -21.0908 17.8655 -23.8874 -0.944328 -33.4876 17.9784 -29.8619 -35.355 TIMING: 815400 CPU: 2565.25, 0.00317531/step Wall: 2565.25, 0.00317531/step, 3.69094 hours remaining, 234.847656 MB of memory in use. ENERGY: 815400 3997.2524 20472.9207 14433.0896 222.6177 -203544.6532 2556.5734 0.0000 0.0000 52344.7198 -109517.4795 300.8258 -161862.1993 -109145.8041 299.3161 30.2851 67.6331 760854.0637 -18.5314 -18.4168 PRESSURE: 815600 120.72 -0.121922 -1.32724 -0.122314 126.475 22.9872 -1.32768 22.9866 21.8753 GPRESSURE: 815600 100.987 -20.6947 10.6082 33.1112 247.493 12.9432 -13.5025 -15.0879 21.5538 PRESSAVG: 815600 48.0796 29.1896 -49.9531 29.1896 -12.8329 38.9257 -49.9531 38.9257 24.8275 GPRESSAVG: 815600 48.654 29.1318 -49.1476 29.165 -12.0329 39.7176 -49.9591 39.8853 24.0674 TIMING: 815600 CPU: 2565.89, 0.00317008/step Wall: 2565.89, 0.00317008/step, 3.68469 hours remaining, 234.847656 MB of memory in use. ENERGY: 815600 3952.8129 20564.6943 14532.6211 242.0390 -203445.6164 2501.4012 0.0000 0.0000 52126.9260 -109525.1220 299.5742 -161652.0480 -109173.5412 299.1795 89.6903 123.3446 760437.9118 20.0247 20.2295 PRESSURE: 815800 -77.9821 -204.081 43.8326 -204.081 199.614 -52.2808 43.8331 -52.2818 318.286 GPRESSURE: 815800 28.5447 -236.299 97.7291 -45.4851 170.592 -61.16 109.77 33.9852 322.952 PRESSAVG: 815800 47.8837 16.8149 -8.11791 16.8149 -17.9634 66.253 -8.11786 66.2531 14.7546 GPRESSAVG: 815800 47.2334 18.6548 -9.72115 18.8452 -18.8557 65.0256 -6.85107 65.0285 15.6744 TIMING: 815800 CPU: 2566.52, 0.00316666/step Wall: 2566.52, 0.00316666/step, 3.68054 hours remaining, 234.847656 MB of memory in use. ENERGY: 815800 4021.6856 20590.8831 14455.7564 247.9497 -203621.0550 2850.0617 0.0000 0.0000 52039.8398 -109414.8787 299.0737 -161454.7185 -109066.7019 299.0276 146.6393 174.0296 759949.5652 14.8916 14.6840 PRESSURE: 816000 43.7396 152.711 -98.6713 152.711 -222.697 75.1296 -98.671 75.13 -180.926 GPRESSURE: 816000 67.613 312.301 -3.84707 60.1025 -200.014 12.6002 -159.911 57.6785 -145.965 PRESSAVG: 816000 17.8057 -7.16616 -2.8326 -7.16624 -25.5115 -5.78111 -2.83254 -5.78113 -8.88422 GPRESSAVG: 816000 16.0682 -6.85608 0.511074 -8.33834 -23.4501 -4.80043 -4.14165 -5.83491 -9.21488 TIMING: 816000 CPU: 2567.15, 0.00316638/step Wall: 2567.15, 0.00316638/step, 3.68004 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 816000 4020.4167 20414.8586 14452.1135 240.3014 -203436.0879 2690.0222 0.0000 0.0000 52194.6356 -109423.7399 299.9633 -161618.3756 -109061.2538 299.3076 -119.9610 -92.7889 760453.1485 -5.5300 -5.5323 PRESSURE: 816200 -282.332 -130.489 63.9051 -130.489 -157.993 -146.03 63.9056 -146.03 -424.048 GPRESSURE: 816200 -253.395 -92.4853 88.7034 -55.6207 -149.556 -201.211 35.6247 -86.7862 -376.825 PRESSAVG: 816200 -10.9022 16.7258 -9.18344 16.7259 -4.81147 -9.16471 -9.1834 -9.16473 -18.5165 GPRESSAVG: 816200 -9.15178 13.7306 -9.71349 19.1804 -7.42625 -10.5886 -8.28282 -9.06676 -17.9691 TIMING: 816200 CPU: 2567.79, 0.0031628/step Wall: 2567.79, 0.0031628/step, 3.6757 hours remaining, 234.847656 MB of memory in use. ENERGY: 816200 4018.3338 20563.8407 14441.8903 241.8797 -203386.6644 2591.2610 0.0000 0.0000 52070.0946 -109459.3643 299.2475 -161529.4588 -109100.1319 298.8306 -288.1247 -259.9253 762057.8442 -11.4101 -11.5157 LDB: ============= START OF LOAD BALANCING ============== 2580.19 LDB: ============== END OF LOAD BALANCING =============== 2580.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2580.19 LDB: ============= START OF LOAD BALANCING ============== 2580.51 LDB: Largest compute 7077 load 0.033885 is 17.3% of average load 0.195852 LDB: Average compute 0.004366 is 2.2% of average load 0.195852 LDB: TIME 2580.51 LOAD: AVG 0.195852 MAX 0.212464 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 2580.51 LOAD: AVG 0.195852 MAX 0.212464 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 2580.51 LOAD: AVG 0.195852 MAX 0.212464 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 2580.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2580.52 PRESSURE: 816400 108.704 -94.375 110.467 -94.3754 134.378 207.091 110.467 207.091 118.132 GPRESSURE: 816400 90.339 -140.89 162.334 -123.234 214.757 214.262 68.7512 173.144 152.757 PRESSAVG: 816400 -35.8013 -0.494719 -18.5212 -0.494699 81.3456 1.56721 -18.5212 1.56724 -0.547371 GPRESSAVG: 816400 -36.6327 0.901656 -19.4866 -2.25495 82.3816 2.66772 -19.0914 1.54403 -0.10867 TIMING: 816400 CPU: 2568.43, 0.00324067/step Wall: 2568.43, 0.00324067/step, 3.76602 hours remaining, 234.460938 MB of memory in use. ENERGY: 816400 3945.2329 20458.1441 14425.1710 236.2430 -203543.0540 2935.8695 0.0000 0.0000 51896.5224 -109645.8711 298.2500 -161542.3935 -109267.2843 298.7343 120.4048 152.6175 763869.7064 14.9990 15.2134 PRESSURE: 816600 169.222 -366.076 -505.382 -366.075 86.9907 -144.838 -505.383 -144.838 -43.8503 GPRESSURE: 816600 126.504 -405.339 -515.645 -323.458 184.29 -133.938 -515.936 -152.8 7.79495 PRESSAVG: 816600 -45.3477 -6.99014 -51.052 -6.99015 39.5393 23.1744 -51.052 23.1745 -17.74 GPRESSAVG: 816600 -44.7111 -6.49284 -51.8938 -7.177 40.082 23.6702 -50.8017 24.0875 -18.9057 TIMING: 816600 CPU: 2569.07, 0.003154/step Wall: 2569.07, 0.003154/step, 3.66512 hours remaining, 234.460938 MB of memory in use. ENERGY: 816600 4031.1225 20306.8593 14561.4024 240.4346 -203692.4418 2819.2451 0.0000 0.0000 51959.7426 -109773.6353 298.6134 -161733.3778 -109417.2558 298.9927 70.7873 106.1965 760639.6233 -7.8494 -7.8450 PRESSURE: 816800 -23.2736 -15.855 -74.6272 -15.8549 148.629 72.3111 -74.6264 72.3119 -3.14183 GPRESSURE: 816800 -12.6672 -18.0765 -34.0349 -91.5498 171.584 51.0099 24.7248 63.6543 55.641 PRESSAVG: 816800 2.42155 -44.9564 26.0798 -44.9564 27.1136 14.2283 26.0797 14.2282 15.0668 GPRESSAVG: 816800 1.99352 -46.1153 26.675 -44.151 26.5297 12.72 27.78 14.7962 16.4149 TIMING: 816800 CPU: 2569.69, 0.00314553/step Wall: 2569.69, 0.00314553/step, 3.6551 hours remaining, 234.460938 MB of memory in use. ENERGY: 816800 4018.4872 20474.9374 14445.0351 229.3461 -203278.0711 2573.8123 0.0000 0.0000 51892.1989 -109644.2542 298.2252 -161536.4531 -109287.5402 298.7784 40.7380 71.5192 761213.2416 14.8673 14.9794 PRESSURE: 817000 294.799 -181.504 -159.627 -181.504 16.3304 -128.347 -159.627 -128.346 -92.4867 GPRESSURE: 817000 202.82 -96.621 -207.994 -157.254 150.205 -206.01 -145.259 -107.808 -63.4771 PRESSAVG: 817000 -0.192332 -35.0245 -41.8529 -35.0245 33.7608 9.86161 -41.8529 9.86165 -4.9819 GPRESSAVG: 817000 -0.543803 -33.2319 -41.7175 -36.3637 35.0626 10.8228 -42.0217 8.66181 -6.4588 TIMING: 817000 CPU: 2570.32, 0.00314516/step Wall: 2570.32, 0.00314516/step, 3.6545 hours remaining, 234.460938 MB of memory in use. ENERGY: 817000 4017.7833 20684.0320 14502.9683 248.2192 -203114.1865 2491.3252 0.0000 0.0000 51528.4534 -109641.4051 296.1347 -161169.8586 -109290.2637 298.3531 72.8808 96.5158 762001.8834 9.5289 9.3533 PRESSURE: 817200 -156.075 20.4279 -22.0966 20.4276 -132.912 17.8885 -22.0971 17.8887 -275.073 GPRESSURE: 817200 -127.692 -56.1916 -43.1236 66.6423 -111.016 -71.7797 -160.802 -14.7665 -242.575 PRESSAVG: 817200 12.9775 -53.5864 -4.20841 -53.5863 13.9178 31.5665 -4.20839 31.5666 3.52078 GPRESSAVG: 817200 13.8157 -54.2804 -5.45629 -50.7185 12.2405 32.0377 -5.13801 29.1347 4.63982 TIMING: 817200 CPU: 2570.95, 0.0031517/step Wall: 2570.95, 0.00315169/step, 3.66192 hours remaining, 234.460938 MB of memory in use. ENERGY: 817200 4042.3509 20560.9984 14434.4548 247.0066 -203617.4289 2583.8125 0.0000 0.0000 51808.7017 -109940.1041 297.7453 -161748.8058 -109580.6357 298.8301 -188.0200 -160.4278 761425.1448 10.1387 10.2320 PRESSURE: 817400 33.9806 -161.681 173.119 -161.681 200.583 -293.036 173.119 -293.036 450.372 GPRESSURE: 817400 175.684 -228.593 182.316 -127.213 172.752 -299.664 231.837 -283.948 414.403 PRESSAVG: 817400 -17.2124 -28.212 -4.96669 -28.212 29.1843 -70.4428 -4.96664 -70.4429 -5.675 GPRESSAVG: 817400 -14.6978 -26.8432 -3.87791 -30.1826 27.5107 -70.1993 -2.86349 -71.2019 -6.54041 TIMING: 817400 CPU: 2571.58, 0.00315528/step Wall: 2571.58, 0.00315528/step, 3.66591 hours remaining, 234.460938 MB of memory in use. ENERGY: 817400 3987.4229 20530.6916 14450.0625 232.3498 -204147.8750 3018.8817 0.0000 0.0000 51983.5356 -109944.9309 298.7501 -161928.4665 -109583.8860 298.1855 228.3118 254.2798 760394.4434 2.0989 2.0908 PRESSURE: 817600 -208.224 25.5027 -270.767 25.5036 -304.026 -35.6356 -270.768 -35.6358 -230.598 GPRESSURE: 817600 -218.685 -73.1144 -164.969 36.5496 -163.304 -72.2111 -232.038 -16.4652 -292.878 PRESSAVG: 817600 -18.5511 -79.9484 -5.87165 -79.9484 -8.62227 -0.0922664 -5.87171 -0.0922649 -16.5574 GPRESSAVG: 817600 -20.5668 -81.1722 -6.18861 -78.9649 -6.61372 -0.924593 -7.44383 0.947287 -16.2297 TIMING: 817600 CPU: 2572.21, 0.00314989/step Wall: 2572.21, 0.00314989/step, 3.65947 hours remaining, 234.460938 MB of memory in use. ENERGY: 817600 4037.2282 20444.3396 14493.7096 242.2954 -203572.8514 2582.4105 0.0000 0.0000 51816.9096 -109955.9584 297.7925 -161772.8681 -109596.4163 298.2762 -247.6162 -224.9558 761531.0830 -14.5769 -14.4701 PRESSURE: 817800 -41.7569 -176.691 -211.537 -176.692 -94.7172 83.7798 -211.537 83.7798 265.117 GPRESSURE: 817800 18.3327 -255.466 -191.137 -68.3437 -118.058 129.283 -226.364 57.3479 293.475 PRESSAVG: 817800 -46.3033 -69.8288 -23.0452 -69.8288 35.0684 -20.3491 -23.0453 -20.3491 8.9894 GPRESSAVG: 817800 -45.4672 -68.839 -24.1913 -71.1514 34.9801 -19.8417 -22.5948 -20.1194 8.73081 TIMING: 817800 CPU: 2572.84, 0.00314971/step Wall: 2572.84, 0.00314971/step, 3.65908 hours remaining, 234.460938 MB of memory in use. ENERGY: 817800 3950.2453 20606.5902 14501.8228 272.7429 -203694.8039 2813.1618 0.0000 0.0000 51699.3871 -109850.8538 297.1171 -161550.2409 -109493.9852 298.3776 42.8810 64.5831 761412.5910 -0.7485 -0.5855 PRESSURE: 818000 -343.919 -138.382 -221.629 -138.382 -89.6337 -33.2435 -221.63 -33.2437 -87.8267 GPRESSURE: 818000 -327.38 -167.246 -193.224 -164.041 0.898247 -47.9657 -95.2578 -84.6348 -109.064 PRESSAVG: 818000 -53.3322 -45.5995 -33.8019 -45.5996 86.2973 -8.20352 -33.802 -8.20354 -10.1086 GPRESSAVG: 818000 -53.0996 -45.6799 -33.3873 -44.9673 86.0901 -8.31029 -33.8482 -9.8416 -9.87898 TIMING: 818000 CPU: 2573.48, 0.00316176/step Wall: 2573.48, 0.00316176/step, 3.67291 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 818000 3971.8354 20410.2632 14470.9902 253.8847 -203404.1221 2260.2860 0.0000 0.0000 51995.9888 -110040.8739 298.8217 -162036.8627 -109675.9099 298.2160 -173.7932 -145.1817 760797.9455 7.6188 7.7038 PRESSURE: 818200 -58.4815 -111.503 174.112 -111.503 78.5194 -127.28 174.113 -127.279 -484.995 GPRESSURE: 818200 -79.8761 -188.895 182.665 -142.454 114.67 -67.14 110.071 -153.428 -426.368 PRESSAVG: 818200 -50.3215 -43.5315 -48.5341 -43.5315 55.8928 -23.5874 -48.5341 -23.5874 2.86295 GPRESSAVG: 818200 -51.762 -44.5659 -47.2131 -44.0522 57.3969 -23.8725 -50.1106 -24.2231 3.10288 TIMING: 818200 CPU: 2574.11, 0.00315215/step Wall: 2574.11, 0.00315215/step, 3.66157 hours remaining, 234.460938 MB of memory in use. ENERGY: 818200 3944.7740 20487.1607 14426.1925 258.2684 -204006.5915 2877.9215 0.0000 0.0000 52026.0077 -109986.2666 298.9942 -162012.2743 -109625.9003 298.4502 -154.9855 -130.5248 762169.1206 2.8114 2.9126 PRESSURE: 818400 -232.418 -87.3875 -164.582 -87.3869 -311.376 -23.8293 -164.583 -23.8293 33.155 GPRESSURE: 818400 -195.823 -59.189 -167.196 -77.1118 -236.23 -23.6899 -186.418 69.5105 21.7036 PRESSAVG: 818400 25.6264 -33.0409 -8.07169 -33.0409 -49.2246 -13.0598 -8.07161 -13.0598 10.9176 GPRESSAVG: 818400 26.7024 -33.2477 -8.624 -31.8514 -51.12 -12.6472 -6.009 -11.285 11.6037 TIMING: 818400 CPU: 2574.74, 0.00315991/step Wall: 2574.74, 0.00315991/step, 3.67041 hours remaining, 234.460938 MB of memory in use. ENERGY: 818400 4010.8523 20670.2671 14432.2076 264.8968 -203340.9658 2199.4108 0.0000 0.0000 51689.8466 -110073.4846 297.0623 -161763.3311 -109716.8429 297.8914 -170.2131 -136.7832 761085.0301 -4.2269 -4.2713 PRESSURE: 818600 193.107 -5.16473 164.02 -5.16404 76.6123 -71.4281 164.02 -71.4277 184.905 GPRESSURE: 818600 134.007 0.51611 154.695 -65.5304 178.844 -74.8918 42.4822 -76.4957 218.954 PRESSAVG: 818600 41.0182 -25.2162 15.3324 -25.2162 -26.3716 -29.622 15.3325 -29.6219 5.99193 GPRESSAVG: 818600 40.2991 -26.0368 15.227 -24.6227 -24.7827 -31.546 13.7037 -27.3353 5.5841 TIMING: 818600 CPU: 2575.37, 0.00316618/step Wall: 2575.37, 0.00316618/step, 3.67752 hours remaining, 234.460938 MB of memory in use. ENERGY: 818600 4015.7594 20641.6233 14462.2547 235.9400 -203827.8943 2739.4466 0.0000 0.0000 51774.7487 -109958.1217 297.5502 -161732.8704 -109598.9892 298.0331 151.5413 177.2683 761713.0873 6.8795 7.0335 PRESSURE: 818800 561.446 -24.2516 -81.3231 -24.2521 -59.0781 -28.7475 -81.3236 -28.7478 159.875 GPRESSURE: 818800 512.665 -43.975 -68.7702 -118.853 31.2504 -13.1759 -71.829 -53.4773 185.582 PRESSAVG: 818800 70.6085 -70.3533 -111.602 -70.3532 -45.0394 -15.3828 -111.602 -15.3828 9.95766 GPRESSAVG: 818800 70.2058 -67.607 -112.102 -72.7078 -45.8063 -13.8542 -113.215 -16.164 10.8696 TIMING: 818800 CPU: 2576, 0.00315524/step Wall: 2576, 0.00315524/step, 3.66464 hours remaining, 234.460938 MB of memory in use. ENERGY: 818800 3977.5353 20448.0313 14501.4809 254.4385 -203804.0604 2779.8683 0.0000 0.0000 51654.9947 -110187.7114 296.8620 -161842.7061 -109824.2392 297.8079 220.7475 243.1660 761907.0572 11.8423 11.7563 PRESSURE: 819000 -40.1935 59.6242 -135.371 59.6238 -141.48 41.4375 -135.372 41.4371 -406.41 GPRESSURE: 819000 -80.5789 34.0772 -156.01 16.2538 20.9708 25.5357 -94.078 157.799 -469.445 PRESSAVG: 819000 13.5082 -1.81231 11.8096 -1.81229 -35.9403 32.2343 11.8096 32.2343 -12.8492 GPRESSAVG: 819000 14.6032 -4.85665 12.435 -1.59574 -36.3632 31.0752 13.4829 31.5955 -13.7808 TIMING: 819000 CPU: 2576.64, 0.00316755/step Wall: 2576.64, 0.00316755/step, 3.67875 hours remaining, 234.460938 MB of memory in use. ENERGY: 819000 4036.7012 20581.4217 14553.9231 247.0662 -203667.1116 2527.3358 0.0000 0.0000 51753.6502 -109967.0134 297.4289 -161720.6636 -109615.4056 297.4064 -196.0280 -176.3511 762639.4818 -11.7605 -11.8470 PRESSURE: 819200 168.084 -118.097 -117.718 -118.098 36.1356 88.6453 -117.718 88.6443 -304.859 GPRESSURE: 819200 159.488 -122.037 -97.1348 -60.2407 157.399 83.2797 -51.99 151.257 -353.324 PRESSAVG: 819200 -58.619 -30.758 -0.639616 -30.7581 77.6434 14.6071 -0.639608 14.6071 9.4002 GPRESSAVG: 819200 -61.1493 -29.0188 -1.19883 -31.068 79.0801 14.0846 0.0891856 15.7823 10.6495 TIMING: 819200 CPU: 2577.27, 0.00315973/step Wall: 2577.27, 0.00315973/step, 3.6695 hours remaining, 234.460938 MB of memory in use. ENERGY: 819200 4097.8843 20438.1763 14463.0067 241.3398 -204079.7731 2822.9788 0.0000 0.0000 52037.1720 -109979.2152 299.0583 -162016.3872 -109611.2763 298.1355 -33.5464 -12.1456 761210.7899 9.4749 9.5267 PRESSURE: 819400 -131.069 190.205 13.1103 190.206 255.313 107.655 13.1103 107.654 -76.6918 GPRESSURE: 819400 -33.61 173.905 71.8861 116.023 249.512 105.964 -0.627117 115.975 -79.7638 PRESSAVG: 819400 -42.8449 -23.3269 -27.5446 -23.327 61.6724 -36.9774 -27.5446 -36.9774 5.36818 GPRESSAVG: 819400 -40.5292 -24.2687 -26.4507 -22.7825 61.0919 -35.711 -29.5843 -37.6207 4.09206 TIMING: 819400 CPU: 2577.89, 0.0031266/step Wall: 2577.89, 0.0031266/step, 3.63085 hours remaining, 234.460938 MB of memory in use. ENERGY: 819400 3993.8386 20641.0139 14512.0555 241.4374 -203831.8686 2650.2698 0.0000 0.0000 51943.8122 -109849.4412 298.5218 -161793.2534 -109492.6672 298.7439 15.8508 45.3795 759792.0005 8.0652 8.2182 PRESSURE: 819600 -141.951 -48.3423 -28.2212 -48.3431 21.9736 95.3425 -28.2194 95.342 66.5849 GPRESSURE: 819600 -104.904 -96.3703 -20.1574 -23.7077 93.6423 87.6147 -48.1703 53.6833 52.2615 PRESSAVG: 819600 28.1973 -47.8654 -1.61324 -47.8653 2.31185 -28.9202 -1.61324 -28.9203 -26.6371 GPRESSAVG: 819600 28.4204 -46.4916 -2.99335 -48.4245 1.8642 -29.9032 1.6161 -28.8634 -26.39 TIMING: 819600 CPU: 2578.52, 0.00313842/step Wall: 2578.52, 0.00313841/step, 3.6444 hours remaining, 234.460938 MB of memory in use. ENERGY: 819600 4041.3815 20527.5532 14557.9531 259.2811 -203541.1052 2349.8855 0.0000 0.0000 51801.5983 -110003.4525 297.7045 -161805.0508 -109646.1560 298.5445 -17.7974 13.6666 761223.5066 1.2907 1.2982 PRESSURE: 819800 341.736 117.904 41.0348 117.904 -38.6689 -91.6475 41.0349 -91.6486 60.2989 GPRESSURE: 819800 290.996 175.196 60.7765 206.158 74.1722 -40.6282 -24.1994 -38.766 69.4237 PRESSAVG: 819800 -21.2957 36.8691 -1.28109 36.8692 21.7563 7.26842 -1.28116 7.26837 -16.1375 GPRESSAVG: 819800 -22.3635 36.5315 -1.06517 38.8511 21.5792 6.38624 -3.03707 4.90449 -15.4223 TIMING: 819800 CPU: 2579.15, 0.00314203/step Wall: 2579.15, 0.00314203/step, 3.64843 hours remaining, 234.460938 MB of memory in use. ENERGY: 819800 3995.9096 20552.0184 14440.6172 240.0943 -203668.7171 2602.2641 0.0000 0.0000 51978.3646 -109859.4490 298.7204 -161837.8135 -109495.2921 298.2195 121.1220 144.8641 760698.1736 -5.2256 -5.4022 PRESSURE: 820000 -162.83 231.364 -66.3046 231.364 114.155 -145.767 -66.3049 -145.766 199.672 GPRESSURE: 820000 -108.895 254.505 -78.1144 92.0734 128.652 -110.291 -62.0634 -209.227 227.861 PRESSAVG: 820000 22.9611 47.1797 -41.861 47.1796 -33.2277 -39.3134 -41.861 -39.3133 -8.29396 GPRESSAVG: 820000 24.6035 47.3836 -41.2077 47.346 -33.9483 -38.6712 -40.4487 -37.5635 -8.85886 TIMING: 820000 CPU: 2579.78, 0.00315076/step Wall: 2579.78, 0.00315076/step, 3.65839 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 820000 4032.9579 20553.6043 14552.6542 238.6165 -203593.8545 2674.4938 0.0000 0.0000 51887.1821 -109654.3456 298.1963 -161541.5278 -109294.6457 298.6806 50.3325 82.5392 761552.8182 -6.1869 -6.0679 PRESSURE: 820200 231.83 62.465 -8.1089 62.4654 -384.311 158.541 -8.10842 158.54 69.7264 GPRESSURE: 820200 209.153 62.6718 -11.6528 40.7342 -329.151 232.349 84.7765 160.215 106.09 PRESSAVG: 820200 -31.857 6.0226 47.4268 6.02253 13.8479 7.42387 47.4268 7.42395 25.049 GPRESSAVG: 820200 -32.5036 3.82143 46.6184 4.11143 14.3442 9.19702 47.8754 8.50114 25.2237 TIMING: 820200 CPU: 2580.41, 0.00315668/step Wall: 2580.41, 0.00315668/step, 3.66508 hours remaining, 234.460938 MB of memory in use. ENERGY: 820200 4011.0697 20471.5779 14466.8082 244.7557 -203195.5487 2380.4803 0.0000 0.0000 51952.9908 -109667.8661 298.5746 -161620.8569 -109306.2098 298.8423 -27.5849 -4.6360 760439.8316 2.3466 2.3548 LDB: ============= START OF LOAD BALANCING ============== 2592.81 LDB: ============== END OF LOAD BALANCING =============== 2592.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2592.81 LDB: ============= START OF LOAD BALANCING ============== 2593.13 LDB: Largest compute 7077 load 0.035598 is 18.2% of average load 0.195846 LDB: Average compute 0.004356 is 2.2% of average load 0.195846 LDB: TIME 2593.13 LOAD: AVG 0.195846 MAX 0.217377 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 2593.14 LOAD: AVG 0.195846 MAX 0.217377 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: TIME 2593.14 LOAD: AVG 0.195846 MAX 0.217377 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2593.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2593.14 PRESSURE: 820400 -258.68 -188.247 11.167 -188.247 78.2322 -179.37 11.1662 -179.37 -29.2594 GPRESSURE: 820400 -221.353 -116.446 -0.972151 -173.964 77.3092 -196.866 -150.125 -163.065 23.2802 PRESSAVG: 820400 -20.4341 -39.4338 -19.9829 -39.4338 51.49 27.4117 -19.9829 27.4116 19.7142 GPRESSAVG: 820400 -20.9795 -38.1353 -18.983 -38.8283 51.7021 25.4461 -20.4919 27.9871 20.6613 TIMING: 820400 CPU: 2581.06, 0.00323898/step Wall: 2581.06, 0.00323898/step, 3.76045 hours remaining, 234.460938 MB of memory in use. ENERGY: 820400 3954.1157 20526.3399 14423.6246 239.5226 -203541.0770 2578.0382 0.0000 0.0000 52013.7794 -109805.6565 298.9239 -161819.4359 -109446.4184 298.9484 -69.9024 -40.2544 760005.6434 16.9234 17.1280 PRESSURE: 820600 -482.503 -53.5905 -94.6249 -53.5912 -447.572 -31.3577 -94.6251 -31.3575 48.4622 GPRESSURE: 820600 -297.861 -69.9837 -103.262 -26.9132 -415.124 34.1417 -59.6016 -69.6046 -83.9393 PRESSAVG: 820600 10.3247 -21.6193 17.4604 -21.6192 33.2807 3.27699 17.4604 3.27702 -5.33523 GPRESSAVG: 820600 10.4068 -20.071 15.9261 -20.897 34.201 5.5292 17.6773 0.390786 -6.36853 TIMING: 820600 CPU: 2581.69, 0.00316108/step Wall: 2581.69, 0.00316108/step, 3.66983 hours remaining, 234.500000 MB of memory in use. ENERGY: 820600 3973.4189 20392.5229 14497.6116 220.5521 -203298.3612 2294.2598 0.0000 0.0000 52182.4203 -109737.5756 299.8931 -161919.9959 -109366.3488 298.3715 -293.8709 -265.6416 761058.0415 12.7567 12.7464 PRESSURE: 820800 -227.701 129.664 -16.7279 129.663 93.9519 149.094 -16.7274 149.094 -237.32 GPRESSURE: 820800 -182.969 99.7268 -43.1239 152.626 54.2408 142.249 5.37762 180.798 -145.623 PRESSAVG: 820800 26.109 -32.1977 35.4619 -32.1976 -22.609 10.0317 35.4619 10.0317 -6.83219 GPRESSAVG: 820800 26.648 -32.6778 37.1303 -34.2691 -24.3032 8.66549 35.0265 11.2408 -5.95953 TIMING: 820800 CPU: 2582.33, 0.00318902/step Wall: 2582.33, 0.00318902/step, 3.70209 hours remaining, 234.500000 MB of memory in use. ENERGY: 820800 3992.1911 20499.3028 14530.9204 236.8405 -203132.9857 2432.3574 0.0000 0.0000 51908.6002 -109532.7733 298.3194 -161441.3735 -109178.9842 298.9626 -123.6898 -91.4504 761966.9586 -1.1107 -1.2049 PRESSURE: 821000 -279.742 208.758 54.3013 208.757 -145.926 206.054 54.3006 206.054 80.1899 GPRESSURE: 821000 -275.541 141.107 9.15631 56.9624 -0.036735 218.682 111.882 179.458 15.7619 PRESSAVG: 821000 -35.9269 44.1645 40.2674 44.1645 40.871 29.8385 40.2674 29.8385 -3.50043 GPRESSAVG: 821000 -36.8487 43.0117 40.8255 44.911 42.2814 28.9812 39.0214 31.5296 -3.85717 TIMING: 821000 CPU: 2582.96, 0.00314541/step Wall: 2582.96, 0.00314541/step, 3.6513 hours remaining, 234.500000 MB of memory in use. ENERGY: 821000 4054.7507 20588.9885 14363.3276 245.8100 -203113.1547 2443.7240 0.0000 0.0000 52030.2410 -109386.3130 299.0185 -161416.5540 -109028.9391 299.7475 -115.1595 -86.6051 761473.3908 0.4812 0.5252 PRESSURE: 821200 -115.295 20.2433 56.9593 20.2434 223.946 -319.825 56.9596 -319.825 17.8413 GPRESSURE: 821200 23.5978 -111.594 85.6523 -22.7289 150.869 -316.349 122.159 -240.055 48.8957 PRESSAVG: 821200 -25.0238 2.34747 -11.679 2.34748 25.3982 27.8389 -11.6791 27.8389 17.4425 GPRESSAVG: 821200 -23.3812 0.873035 -11.829 3.11571 23.7864 28.6726 -9.97662 26.2066 17.7696 TIMING: 821200 CPU: 2583.59, 0.00313975/step Wall: 2583.59, 0.00313975/step, 3.64455 hours remaining, 234.500000 MB of memory in use. ENERGY: 821200 3912.2657 20534.9225 14512.3227 245.2947 -203496.3819 2756.6073 0.0000 0.0000 52199.1169 -109335.8522 299.9890 -161534.9691 -108976.4966 299.3964 42.1639 74.4542 761005.1728 5.9390 6.0583 PRESSURE: 821400 -414.064 99.1447 -74.7656 99.1447 -216.443 252.042 -74.7655 252.043 171.97 GPRESSURE: 821400 -216.402 70.4462 -58.7169 114.346 -292.422 190.672 -85.4917 218.02 122.619 PRESSAVG: 821400 -25.4852 -32.601 -4.09625 -32.6011 36.2276 1.20576 -4.09633 1.2058 -5.77204 GPRESSAVG: 821400 -25.5922 -31.3497 -4.71632 -31.2782 37.8865 1.94929 -3.76166 3.28312 -7.19067 TIMING: 821400 CPU: 2584.22, 0.00314357/step Wall: 2584.22, 0.00314357/step, 3.64881 hours remaining, 234.703125 MB of memory in use. ENERGY: 821400 3931.5453 20509.8064 14477.1307 235.3101 -202991.7623 2185.6868 0.0000 0.0000 52241.5317 -109410.7514 300.2328 -161652.2831 -109045.6191 299.6080 -152.8456 -128.7351 761962.9117 1.6568 1.7012 PRESSURE: 821600 120.122 106.15 45.7536 106.151 -67.9085 52.0956 45.7524 52.0962 422.897 GPRESSURE: 821600 158.531 -3.43473 82.333 97.2434 14.8608 -65.68 -75.6701 83.9401 407.971 PRESSAVG: 821600 -28.0323 4.79692 -31.313 4.79692 28.5096 0.0905269 -31.313 0.0904377 -0.338247 GPRESSAVG: 821600 -27.9611 6.20233 -30.5755 2.11871 28.5226 -0.54249 -32.6975 0.890506 0.568281 TIMING: 821600 CPU: 2584.85, 0.00315677/step Wall: 2584.85, 0.00315677/step, 3.66395 hours remaining, 234.703125 MB of memory in use. ENERGY: 821600 3907.2293 20567.2120 14546.5782 237.3399 -203212.5065 2616.3337 0.0000 0.0000 52072.4260 -109265.3875 299.2609 -161337.8135 -108902.2453 299.2496 158.3705 193.7875 763656.6847 0.0464 0.3766 PRESSURE: 821800 -119.771 37.5563 -57.3874 37.5567 -18.7024 17.233 -57.3875 17.2327 278.454 GPRESSURE: 821800 -136.405 39.3179 -104.12 85.2901 24.1207 -24.6858 -26.2117 39.4486 309.466 PRESSAVG: 821800 -6.31217 -11.2408 -15.5928 -11.2408 12.7325 -14.4383 -15.5928 -14.4383 5.57836 GPRESSAVG: 821800 -6.20285 -12.5928 -16.6385 -9.87092 12.1964 -14.3384 -16.5875 -16.2485 5.6987 TIMING: 821800 CPU: 2585.48, 0.00315058/step Wall: 2585.48, 0.00315058/step, 3.65659 hours remaining, 234.703125 MB of memory in use. ENERGY: 821800 3984.0053 20671.9010 14514.7829 265.6778 -203289.9231 2552.4426 0.0000 0.0000 52117.7310 -109183.3825 299.5213 -161301.1135 -108816.2200 299.8291 46.6600 65.7272 761877.6354 3.9996 3.8974 PRESSURE: 822000 304.86 -1.87969 96.0337 -1.8789 38.4807 1.64896 96.0331 1.64928 370.851 GPRESSURE: 822000 358.62 -34.2536 17.4664 96.4883 108.736 -16.2972 141.232 85.1319 313.611 PRESSAVG: 822000 -42.2158 -30.2131 -8.51667 -30.2131 39.1901 -25.3337 -8.51673 -25.3338 12.4243 GPRESSAVG: 822000 -43.8439 -29.493 -8.78752 -29.0789 39.9737 -24.2824 -6.88419 -24.4779 13.4024 TIMING: 822000 CPU: 2586.11, 0.00315985/step Wall: 2586.11, 0.00315985/step, 3.66718 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 822000 3940.3411 20543.3642 14539.7916 242.3011 -203440.4732 2739.9780 0.0000 0.0000 52166.7057 -109267.9914 299.8028 -161434.6971 -108895.0917 299.6292 238.0640 260.3224 761382.0645 3.1329 3.1774 PRESSURE: 822200 -210.459 -47.87 -91.0959 -47.8706 -217.381 48.7253 -91.0956 48.7252 -307.916 GPRESSURE: 822200 -183.015 -30.5893 -88.1504 12.4854 -185.691 99.8685 -52.5247 -6.54809 -270.678 PRESSAVG: 822200 -72.256 -6.6408 11.2565 -6.6408 25.2961 -59.5664 11.2565 -59.5664 -2.24616 GPRESSAVG: 822200 -71.0396 -6.3166 11.7489 -6.77822 24.4026 -60.8789 10.9316 -59.453 -2.67885 TIMING: 822200 CPU: 2586.74, 0.00314739/step Wall: 2586.74, 0.00314739/step, 3.65255 hours remaining, 234.703125 MB of memory in use. ENERGY: 822200 3976.5493 20471.3897 14513.8501 259.1503 -203073.8216 2355.2735 0.0000 0.0000 52352.2809 -109145.3277 300.8693 -161497.6086 -108772.8572 299.9959 -245.2518 -213.1283 761134.7548 -16.4020 -16.4386 PRESSURE: 822400 -83.2935 26.9054 45.6907 26.9051 68.8436 -153.353 45.6906 -153.352 -26.4926 GPRESSURE: 822400 -106.76 22.912 56.2262 144.483 104.184 -192.597 -4.71548 -148.934 21.281 PRESSAVG: 822400 -7.27366 -20.05 -48.0269 -20.0499 10.6262 30.9596 -48.0269 30.9596 -3.94538 GPRESSAVG: 822400 -7.84853 -20.2006 -47.8715 -19.58 10.9924 31.0915 -48.9017 31.0013 -4.21357 TIMING: 822400 CPU: 2587.37, 0.00315028/step Wall: 2587.37, 0.00315028/step, 3.65573 hours remaining, 234.703125 MB of memory in use. ENERGY: 822400 3930.1376 20592.4599 14511.8758 255.1654 -203003.9401 2448.5497 0.0000 0.0000 52169.8331 -109095.9186 299.8207 -161265.7517 -108718.9569 300.1689 -13.6475 6.2348 760877.8040 -0.1976 -0.3566 PRESSURE: 822600 -204.791 44.3371 -108.465 44.3375 -153.59 269.937 -108.465 269.937 -159.381 GPRESSURE: 822600 -227.147 126.327 -145.354 95.2168 -42.0711 305.711 -131.364 145.134 -162.885 PRESSAVG: 822600 -53.0601 34.8925 -2.54554 34.8925 65.1291 -23.2217 -2.54559 -23.2217 5.07707 GPRESSAVG: 822600 -53.4336 34.4125 -3.28424 33.3351 65.6108 -22.7451 0.70527 -25.8458 4.71331 TIMING: 822600 CPU: 2588, 0.00315198/step Wall: 2588, 0.00315198/step, 3.65753 hours remaining, 234.703125 MB of memory in use. ENERGY: 822600 4028.6542 20532.9845 14392.3977 267.5353 -202912.5777 2346.4013 0.0000 0.0000 52370.3617 -108974.2430 300.9732 -161344.6047 -108606.3076 300.4420 -172.5872 -144.0345 763225.1161 5.7154 5.6302 PRESSURE: 822800 65.8022 -58.6179 -104.008 -58.6174 -350.764 -159.029 -104.009 -159.03 33.0414 GPRESSURE: 822800 84.344 -172.968 3.41483 1.29352 -329.718 -80.568 -31.049 -224.223 56.3942 PRESSAVG: 822800 -6.33538 -43.1545 -11.2735 -43.1545 9.34698 25.6626 -11.2735 25.6625 0.78718 GPRESSAVG: 822800 -6.62426 -42.752 -10.2877 -42.7253 8.43758 26.45 -10.3189 26.4145 1.68003 TIMING: 822800 CPU: 2588.63, 0.00315126/step Wall: 2588.63, 0.00315126/step, 3.65651 hours remaining, 234.703125 MB of memory in use. ENERGY: 822800 3944.9852 20586.3338 14454.8785 247.6119 -202846.7478 2500.7481 0.0000 0.0000 51956.2690 -109155.9213 298.5934 -161112.1903 -108795.6783 299.9305 -83.9734 -62.9932 764558.5399 1.2663 1.1644 PRESSURE: 823000 146.12 145.731 175.985 145.73 -160.264 13.4022 175.984 13.4025 -106.621 GPRESSURE: 823000 195.376 -11.2576 112.097 81.6759 -128.778 36.808 235.48 -7.8586 -84.4061 PRESSAVG: 823000 -26.0553 -3.6453 35.839 -3.64533 0.510273 26.9525 35.8391 26.9524 -5.60261 GPRESSAVG: 823000 -24.0192 -3.76996 34.6075 -3.77738 -0.211159 27.29 33.6468 27.3602 -7.04601 TIMING: 823000 CPU: 2589.26, 0.00314949/step Wall: 2589.26, 0.00314949/step, 3.65428 hours remaining, 234.703125 MB of memory in use. ENERGY: 823000 3927.0566 20450.1807 14527.5905 245.2601 -203340.6340 2683.4088 0.0000 0.0000 52194.8381 -109312.2991 299.9645 -161507.1372 -108945.6763 299.5498 -40.2552 -5.9363 763279.6247 -10.3826 -10.4255 PRESSURE: 823200 209.064 -178.985 57.0425 -178.984 12.3045 -286.939 57.0431 -286.939 5.31509 GPRESSURE: 823200 224.118 -289.537 105.517 -178.669 15.4185 -221.675 77.2752 -254.155 63.1089 PRESSAVG: 823200 -13.9907 -44.5948 -6.38361 -44.5948 15.3702 -31.6884 -6.38358 -31.6884 -5.3388 GPRESSAVG: 823200 -15.0822 -42.4959 -6.74692 -45.5668 15.9137 -34.7142 -7.99514 -30.4896 -4.87946 TIMING: 823200 CPU: 2589.89, 0.00315112/step Wall: 2589.89, 0.00315112/step, 3.656 hours remaining, 234.703125 MB of memory in use. ENERGY: 823200 3947.7463 20571.9420 14465.8078 247.6930 -203215.2599 2596.4460 0.0000 0.0000 51824.8040 -109560.8208 297.8379 -161385.6249 -109203.7804 299.0737 75.5613 100.8818 763134.8034 -1.3198 -1.3493 PRESSURE: 823400 80.4176 -322.233 316.224 -322.233 120.466 -38.5225 316.225 -38.5233 317.123 GPRESSURE: 823400 111.318 -297.668 238.725 -255.746 191.711 17.6865 292.929 -121.341 293.278 PRESSAVG: 823400 1.18633 -87.1844 59.6033 -87.1844 12.4886 -35.6769 59.6033 -35.6769 -11.893 GPRESSAVG: 823400 1.19131 -90.4925 60.9904 -86.744 12.4229 -34.2077 58.3684 -37.2684 -12.6606 TIMING: 823400 CPU: 2590.52, 0.00316867/step Wall: 2590.52, 0.00316867/step, 3.67618 hours remaining, 234.703125 MB of memory in use. ENERGY: 823400 3981.7543 20438.3679 14442.1044 234.3167 -203568.6785 2969.2083 0.0000 0.0000 51919.3625 -109583.5645 298.3813 -161502.9270 -109218.9181 298.9352 172.6688 198.7691 763011.7687 0.5940 0.3179 PRESSURE: 823600 93.0148 -54.06 74.7999 -54.0597 -167.222 -181.224 74.7992 -181.224 -256.271 GPRESSURE: 823600 77.7255 -120.973 148.427 35.3341 -71.8515 -144.941 -77.7127 -81.8057 -250.087 PRESSAVG: 823600 37.342 -56.9307 -31.0766 -56.9307 22.9113 44.9329 -31.0766 44.9329 -16.0913 GPRESSAVG: 823600 37.7705 -53.1531 -31.8017 -55.366 23.3165 46.0224 -29.7141 43.8997 -16.8658 TIMING: 823600 CPU: 2591.16, 0.00317524/step Wall: 2591.16, 0.00317524/step, 3.68363 hours remaining, 234.703125 MB of memory in use. ENERGY: 823600 4033.4932 20461.1044 14458.8012 240.1918 -203259.0249 2446.2711 0.0000 0.0000 51963.0743 -109656.0889 298.6325 -161619.1632 -109303.1148 299.0071 -110.1593 -81.4044 762297.5371 14.7207 14.7404 PRESSURE: 823800 -181.835 5.269 -17.3615 5.26968 -236.946 -37.2976 -17.3612 -37.2974 151.431 GPRESSURE: 823800 -46.536 107.953 -121.442 184.627 -291.897 -124.319 15.0986 -23.409 143.286 PRESSAVG: 823800 -27.4563 -41.2961 -2.72893 -41.2962 56.4736 17.0689 -2.72894 17.069 -18.492 GPRESSAVG: 823800 -28.3359 -43.0134 -4.554 -43.6694 55.4731 16.6216 -2.1836 17.1775 -16.6585 TIMING: 823800 CPU: 2591.8, 0.00318761/step Wall: 2591.8, 0.00318761/step, 3.6978 hours remaining, 234.703125 MB of memory in use. ENERGY: 823800 4063.9265 20410.9196 14393.4237 238.8573 -203328.3550 2479.2515 0.0000 0.0000 52141.2826 -109600.6938 299.6567 -161741.9764 -109241.4154 298.6455 -89.1165 -65.0492 761244.4682 3.5084 3.4929 PRESSURE: 824000 -134.366 -208.237 105.045 -208.237 145.686 32.7236 105.045 32.724 217.358 GPRESSURE: 824000 -73.3429 -201.92 102.07 -106.392 170.978 51.071 -20.2175 44.3396 221.698 PRESSAVG: 824000 -40.1411 -29.8029 12.1497 -29.803 47.8198 13.7935 12.1496 13.7936 -24.3977 GPRESSAVG: 824000 -38.9215 -28.7131 13.0295 -30.052 47.9487 13.1193 12.5793 15.078 -25.6703 TIMING: 824000 CPU: 2592.43, 0.00317538/step Wall: 2592.43, 0.00317538/step, 3.68344 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 824000 3980.5035 20359.3011 14470.9772 256.2445 -203698.3147 2806.9496 0.0000 0.0000 52034.1963 -109790.1425 299.0412 -161824.3388 -109429.8223 298.6024 76.2261 106.4444 761451.2608 -5.5730 -5.5477 PRESSURE: 824200 71.5475 -31.5068 108.246 -31.5064 75.8646 -94.3752 108.246 -94.3756 -74.4051 GPRESSURE: 824200 123.077 39.218 119.033 -4.14995 48.8394 -104.964 -24.0808 44.7075 -13.1469 PRESSAVG: 824200 -58.2271 -43.4683 -17.4086 -43.4683 35.6076 28.8789 -17.4086 28.8788 -9.37411 GPRESSAVG: 824200 -59.8855 -46.9681 -16.9531 -42.1496 35.6061 27.8419 -19.6759 28.2281 -8.17059 TIMING: 824200 CPU: 2593.06, 0.00315157/step Wall: 2593.06, 0.00315157/step, 3.65565 hours remaining, 234.703125 MB of memory in use. ENERGY: 824200 3915.2296 20422.0166 14543.2508 248.7285 -203039.3123 2419.3770 0.0000 0.0000 51822.4635 -109668.2464 297.8244 -161490.7098 -109312.4641 298.6150 24.3357 52.9233 761387.9748 -10.6645 -10.8167 LDB: ============= START OF LOAD BALANCING ============== 2605.46 LDB: ============== END OF LOAD BALANCING =============== 2605.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2605.46 LDB: ============= START OF LOAD BALANCING ============== 2605.78 LDB: Largest compute 7077 load 0.035953 is 18.4% of average load 0.195822 LDB: Average compute 0.004369 is 2.2% of average load 0.195822 LDB: TIME 2605.78 LOAD: AVG 0.195822 MAX 0.212813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.461 MB LDB: TIME 2605.78 LOAD: AVG 0.195822 MAX 0.212813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 2605.78 LOAD: AVG 0.195822 MAX 0.212813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 2605.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2605.79 PRESSURE: 824400 -195.805 -221.014 110.606 -221.013 -263.813 -32.1461 110.607 -32.1468 72.3323 GPRESSURE: 824400 -180.367 -151.952 112.666 -209.527 -226.267 -43.6535 150.979 99.331 107.202 PRESSAVG: 824400 -54.5632 -30.5805 -16.5994 -30.5804 77.0235 8.18342 -16.5994 8.18345 13.7636 GPRESSAVG: 824400 -54.352 -28.2765 -17.1205 -31.1962 77.0228 8.87587 -13.6588 9.57554 13.0695 TIMING: 824400 CPU: 2593.71, 0.00322028/step Wall: 2593.71, 0.00322028/step, 3.73517 hours remaining, 234.460938 MB of memory in use. ENERGY: 824400 4024.3516 20448.0543 14594.2304 234.3734 -203353.1572 2731.1949 0.0000 0.0000 51942.8124 -109378.1402 298.5161 -161320.9527 -109014.1763 299.1326 -129.0952 -99.8105 761799.6089 12.0747 11.9134 PRESSURE: 824600 7.63346 -198.71 61.1689 -198.71 -194.652 60.0734 61.1695 60.0728 259.78 GPRESSURE: 824600 -16.6612 -130.397 31.3593 -135.918 -136.459 65.9422 60.8008 -56.6256 295.108 PRESSAVG: 824600 -36.4695 -56.7419 5.28811 -56.7419 46.1985 -19.9121 5.28812 -19.9122 8.1302 GPRESSAVG: 824600 -36.411 -54.988 5.55216 -57.9472 46.536 -19.8115 2.42817 -21.3869 8.13788 TIMING: 824600 CPU: 2594.34, 0.00315534/step Wall: 2594.34, 0.00315534/step, 3.65967 hours remaining, 234.664062 MB of memory in use. ENERGY: 824600 3991.3855 20469.9322 14497.5127 267.7906 -203273.7247 2674.1172 0.0000 0.0000 52080.8591 -109292.1274 299.3094 -161372.9865 -108918.1400 299.4527 24.2538 47.3291 762949.2053 5.9530 6.0876 PRESSURE: 824800 -170.144 -47.7133 -140.658 -47.7128 112.839 -19.2643 -140.658 -19.2644 174.137 GPRESSURE: 824800 -118.421 -66.3422 -106.921 -54.3788 95.0239 -38.0185 -159.366 -31.2055 197.295 PRESSAVG: 824800 -111.661 -11.1 26.3342 -11.1 62.4191 -30.1427 26.3342 -30.1427 4.96369 GPRESSAVG: 824800 -112.244 -14.1217 27.8166 -10.7382 61.6431 -30.1625 27.7275 -32.2701 6.2014 TIMING: 824800 CPU: 2594.97, 0.00315241/step Wall: 2594.97, 0.00315241/step, 3.6561 hours remaining, 234.664062 MB of memory in use. ENERGY: 824800 4021.4095 20486.1660 14572.4996 252.8126 -203435.4319 2696.6820 0.0000 0.0000 52104.1223 -109301.7398 299.4431 -161405.8621 -108943.5731 298.9343 38.9436 57.9662 762023.0720 -14.7594 -14.7999 PRESSURE: 825000 89.6819 25.6452 18.6122 25.6448 207.657 -193.602 18.6116 -193.601 -23.0584 GPRESSURE: 825000 83.8755 75.1497 78.9368 -95.5232 301.3 -207.762 -3.69048 -113.149 -27.8501 PRESSAVG: 825000 -70.9362 -4.63672 9.92078 -4.63676 73.8956 0.788467 9.92081 0.788429 26.5875 GPRESSAVG: 825000 -70.0306 -4.59222 9.60614 -5.42011 74.305 -0.218753 9.22339 3.14137 25.6017 TIMING: 825000 CPU: 2595.6, 0.0031662/step Wall: 2595.6, 0.0031662/step, 3.67192 hours remaining, 234.664062 MB of memory in use. ENERGY: 825000 4012.0378 20412.8692 14551.4346 272.6255 -203260.9084 2567.0571 0.0000 0.0000 52204.7361 -109240.1480 300.0213 -161444.8841 -108871.9247 299.3698 91.4268 119.1084 760631.8295 9.8490 9.9587 PRESSURE: 825200 -141.359 -74.701 240.389 -74.7014 60.1376 56.7432 240.388 56.7442 -186.109 GPRESSURE: 825200 -121.621 -204.908 176.781 3.99247 132.679 105.038 121.927 -53.2256 -167.244 PRESSAVG: 825200 -1.66379 -48.8855 35.663 -48.8854 42.4029 -35.2076 35.663 -35.2076 12.3572 GPRESSAVG: 825200 -2.92463 -45.7016 34.3446 -48.7603 43.4256 -34.7487 36.6591 -34.916 12.5117 TIMING: 825200 CPU: 2596.23, 0.00316084/step Wall: 2596.23, 0.00316084/step, 3.66552 hours remaining, 234.664062 MB of memory in use. ENERGY: 825200 4122.3694 20400.3487 14450.6525 241.2429 -203021.5208 2378.4384 0.0000 0.0000 52167.5209 -109260.9481 299.8075 -161428.4690 -108902.7837 299.7478 -89.1103 -52.0621 761386.5088 17.6988 17.6709 PRESSURE: 825400 -26.2992 69.3595 -37.0618 69.3597 441.653 -35.6766 -37.0625 -35.6762 -117.724 GPRESSURE: 825400 41.9851 70.933 -89.1027 -55.3873 484.256 26.1849 -1.86052 23.5592 -149.636 PRESSAVG: 825400 -38.4613 -37.0462 1.0691 -37.0461 64.0456 -39.6386 1.06909 -39.6386 12.9952 GPRESSAVG: 825400 -36.9347 -40.0909 0.885164 -37.0267 62.7816 -40.0029 0.917171 -40.3034 12.9167 TIMING: 825400 CPU: 2596.87, 0.00318506/step Wall: 2596.87, 0.00318506/step, 3.69343 hours remaining, 234.664062 MB of memory in use. ENERGY: 825400 3976.1773 20499.6846 14581.5458 260.4027 -203792.0865 2942.2657 0.0000 0.0000 52205.7207 -109326.2896 300.0270 -161532.0104 -108966.5941 300.2610 99.2099 125.5349 761101.4513 12.8598 12.9212 PRESSURE: 825600 146.159 232.858 -51.6269 232.858 110.764 32.0498 -51.6273 32.0494 248.508 GPRESSURE: 825600 114.035 243.385 -95.5733 228.385 195.754 26.9516 -32.4597 49.5439 285.582 PRESSAVG: 825600 1.4825 -23.7369 2.53162 -23.7369 -4.87321 3.47186 2.5316 3.47186 13.8034 GPRESSAVG: 825600 0.414659 -21.2534 4.51431 -23.5773 -3.39571 4.47382 1.61875 3.26588 13.6538 TIMING: 825600 CPU: 2597.5, 0.00315384/step Wall: 2597.5, 0.00315384/step, 3.65705 hours remaining, 234.664062 MB of memory in use. ENERGY: 825600 3951.6767 20495.6539 14519.3608 260.0125 -202994.2900 2627.4981 0.0000 0.0000 52029.2823 -109110.8057 299.0130 -161140.0880 -108752.4100 300.1011 168.4769 198.4570 763024.1253 3.4709 3.5576 PRESSURE: 825800 119.426 -139.478 -190.03 -139.478 -260.642 -410.115 -190.03 -410.115 -64.0625 GPRESSURE: 825800 97.9223 -81.5488 -191.956 -101.384 -94.663 -418.232 -265.834 -259.14 -124.478 PRESSAVG: 825800 -8.33433 -44.8297 32.7909 -44.8297 33.7492 -25.5997 32.791 -25.5997 3.32055 GPRESSAVG: 825800 -7.83887 -45.6143 31.4676 -45.3533 33.6636 -27.2765 36.6269 -26.5331 3.72371 TIMING: 825800 CPU: 2598.13, 0.00316873/step Wall: 2598.13, 0.00316873/step, 3.67414 hours remaining, 234.664062 MB of memory in use. ENERGY: 825800 4055.7069 20568.8234 14521.8183 219.1154 -203227.4734 2596.6222 0.0000 0.0000 52073.0106 -109192.3766 299.2643 -161265.3872 -108825.1605 300.6496 -68.4260 -40.4062 762745.3574 9.5785 9.8495 PRESSURE: 826000 -142.159 90.438 18.9579 90.4391 103.312 -234.963 18.9579 -234.963 46.3413 GPRESSURE: 826000 79.6134 184.046 -54.0212 65.8845 21.5824 -233.169 104.275 -85.8636 3.93792 PRESSAVG: 826000 -13.7012 -16.8242 -57.631 -16.8242 48.1586 -49.6473 -57.631 -49.6472 -10.341 GPRESSAVG: 826000 -12.5169 -18.7328 -56.7953 -16.0949 47.7352 -49.3383 -60.6914 -47.023 -11.3979 TIMING: 826000 CPU: 2598.76, 0.0031535/step Wall: 2598.76, 0.0031535/step, 3.6563 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 826000 3942.1004 20697.9400 14486.4133 253.2168 -203438.2125 2707.9732 0.0000 0.0000 52252.3210 -109098.2479 300.2948 -161350.5688 -108739.0134 300.0319 2.4982 35.0446 763720.7820 8.0388 7.9401 PRESSURE: 826200 -316.91 -73.0303 -24.2612 -73.0303 -116.26 -132.094 -24.2611 -132.093 119.66 GPRESSURE: 826200 -336.399 -75.6602 29.3817 -172.597 37.1399 -156.292 -66.8493 -212.234 98.2621 PRESSAVG: 826200 -12.0702 -35.2425 7.4839 -35.2424 2.31647 -8.3862 7.48378 -8.38626 -21.3752 GPRESSAVG: 826200 -13.2741 -33.8309 6.96093 -35.8013 2.16036 -8.42088 6.21088 -10.1843 -20.1747 TIMING: 826200 CPU: 2599.39, 0.00315071/step Wall: 2599.39, 0.00315071/step, 3.6529 hours remaining, 234.664062 MB of memory in use. ENERGY: 826200 3975.0969 20483.7911 14514.4863 238.0038 -203223.2363 2497.0331 0.0000 0.0000 52435.1370 -109079.6882 301.3455 -161514.8252 -108707.7330 300.3345 -104.5033 -66.9991 763537.0638 -10.3763 -10.4295 PRESSURE: 826400 24.0343 191.661 2.85257 191.66 -270.64 -10.9755 2.85292 -10.9759 327.162 GPRESSURE: 826400 142.437 187.876 -36.9558 57.505 -173.598 7.00156 101.706 77.6382 209.6 PRESSAVG: 826400 -12.0306 -39.1535 40.1508 -39.1535 3.85591 -9.94347 40.1508 -9.94351 -30.0235 GPRESSAVG: 826400 -10.7043 -39.0738 42.0767 -39.9543 3.8541 -10.4812 41.7494 -8.5797 -30.7155 TIMING: 826400 CPU: 2600.02, 0.00314437/step Wall: 2600.02, 0.00314437/step, 3.64538 hours remaining, 234.664062 MB of memory in use. ENERGY: 826400 3982.0584 20527.2899 14497.6326 252.6984 -203352.9778 2728.2744 0.0000 0.0000 52084.5476 -109280.4764 299.3306 -161365.0241 -108916.0481 299.6989 26.8521 59.4798 763598.4065 -12.7327 -12.5219 PRESSURE: 826600 -71.0888 119.756 -185.359 119.756 -344.151 -189.442 -185.358 -189.442 -684.256 GPRESSURE: 826600 -54.0699 144.679 -136.137 136.813 -273.806 -130.515 -248.038 -144.382 -699.754 PRESSAVG: 826600 42.319 -38.9584 7.54213 -38.9584 7.05883 -31.9557 7.54212 -31.9556 6.75944 GPRESSAVG: 826600 41.5699 -37.1816 6.95208 -37.2859 7.64676 -30.2744 5.33741 -32.2674 6.42865 TIMING: 826600 CPU: 2600.65, 0.00314339/step Wall: 2600.65, 0.00314339/step, 3.64406 hours remaining, 234.664062 MB of memory in use. ENERGY: 826600 4015.7384 20427.0021 14480.0211 238.2873 -202797.3415 2303.2255 0.0000 0.0000 51839.7534 -109493.3136 297.9238 -161333.0670 -109135.1147 299.4615 -366.4984 -342.5434 762994.4046 18.7124 18.5484 PRESSURE: 826800 -429.908 -8.98611 -8.90145 -8.98736 -74.7223 -108.918 -8.90245 -108.917 135.676 GPRESSURE: 826800 -316.455 5.38695 -27.5636 -122.721 -132.278 -87.6721 -36.726 -146.727 176.204 PRESSAVG: 826800 17.6042 -21.5136 -5.23121 -21.5136 -21.9999 -30.5625 -5.2312 -30.5625 -7.02928 GPRESSAVG: 826800 17.4556 -24.1624 -6.35429 -23.1994 -22.5302 -31.9283 -3.17967 -28.7555 -6.5137 TIMING: 826800 CPU: 2601.28, 0.00315266/step Wall: 2601.28, 0.00315266/step, 3.65464 hours remaining, 234.664062 MB of memory in use. ENERGY: 826800 4017.0723 20443.4838 14377.9053 259.9871 -203072.3689 2563.8255 0.0000 0.0000 52068.9667 -109341.1281 299.2411 -161410.0948 -108981.0098 299.5022 -122.9848 -90.8430 764212.1584 -3.8083 -3.8628 PRESSURE: 827000 -68.4311 126.258 179.411 126.258 159.575 94.8906 179.412 94.8899 324.729 GPRESSURE: 827000 58.1178 47.8846 101.474 88.6866 162.084 91.834 72.4524 139.647 250.997 PRESSAVG: 827000 2.69979 27.5259 -6.60861 27.5259 -9.16076 -0.41025 -6.60867 -0.410248 5.52102 GPRESSAVG: 827000 3.32651 28.5899 -8.39911 29.9886 -9.50125 1.43662 -6.1988 0.447943 4.75996 TIMING: 827000 CPU: 2601.91, 0.00314809/step Wall: 2601.91, 0.00314809/step, 3.64916 hours remaining, 234.664062 MB of memory in use. ENERGY: 827000 4015.3561 20754.8835 14491.4944 247.0797 -203264.5389 2555.4135 0.0000 0.0000 51850.4105 -109349.9013 297.9850 -161200.3117 -108987.0552 299.3600 138.6241 157.0665 763924.3802 -0.3133 -0.4716 PRESSURE: 827200 137.722 179.181 261.72 179.18 -145.97 157.026 261.719 157.027 67.501 GPRESSURE: 827200 184.97 222.298 302.27 255.899 -37.5579 89.2434 164.637 87.2763 -19.8317 PRESSAVG: 827200 -29.9145 -48.7534 34.8639 -48.7534 26.2728 56.5799 34.8639 56.58 20.6239 GPRESSAVG: 827200 -30.7293 -49.7165 36.0514 -51.9942 26.6447 56.8983 34.1675 53.5818 21.2184 TIMING: 827200 CPU: 2602.54, 0.00314388/step Wall: 2602.54, 0.00314388/step, 3.6441 hours remaining, 234.664062 MB of memory in use. ENERGY: 827200 3962.8032 20356.4506 14396.0152 262.7717 -203120.2130 2310.7599 0.0000 0.0000 52165.5620 -109665.8503 299.7962 -161831.4123 -109296.5848 299.1251 19.7512 42.5267 760755.3758 5.6607 5.7113 PRESSURE: 827400 161.529 -101.452 -138.662 -101.452 14.2725 78.7879 -138.663 78.7876 22.1189 GPRESSURE: 827400 229.558 -95.0896 -155.528 -176.098 16.3692 25.2684 -182.558 137.139 41.4977 PRESSAVG: 827400 -6.13202 -22.4901 19.259 -22.4901 -28.9887 47.6739 19.2591 47.6738 -11.4 GPRESSAVG: 827400 -5.54876 -21.7502 19.8278 -19.6281 -28.6798 46.7916 20.8734 47.0488 -11.7577 TIMING: 827400 CPU: 2603.17, 0.00312797/step Wall: 2603.17, 0.00312797/step, 3.62549 hours remaining, 234.664062 MB of memory in use. ENERGY: 827400 3993.5380 20458.7417 14492.6080 248.0607 -203046.4006 2517.8369 0.0000 0.0000 51860.5801 -109475.0352 298.0435 -161335.6153 -109128.1339 298.5656 65.9736 95.8083 762152.1669 -15.5069 -15.3287 PRESSURE: 827600 351.274 -120.541 -39.0104 -120.539 83.7721 -178.972 -39.0101 -178.972 640.745 GPRESSURE: 827600 428.251 -54.1653 -21.7808 -156.028 90.5726 -130.988 -149.354 -38.5502 639.636 PRESSAVG: 827600 43.7465 9.75319 16.5302 9.75314 -59.0211 10.4527 16.5302 10.4527 -0.272123 GPRESSAVG: 827600 43.1389 8.74899 17.4701 10.5312 -59.2748 9.08073 14.3851 12.3774 0.632793 TIMING: 827600 CPU: 2603.79, 0.00312562/step Wall: 2603.79, 0.00312562/step, 3.62259 hours remaining, 234.664062 MB of memory in use. ENERGY: 827600 3927.8299 20603.1595 14503.7664 227.8006 -203277.2383 2790.0133 0.0000 0.0000 51897.4336 -109327.2351 298.2553 -161224.6687 -108973.1376 299.0993 358.5971 386.1533 762794.0853 -5.1822 -5.1677 PRESSURE: 827800 -127.547 -40.0784 340.58 -40.0776 61.6076 -178.653 340.579 -178.653 -42.2556 GPRESSURE: 827800 -80.1139 -9.67911 315.853 -86.5485 39.3741 -82.1579 342.945 -176.816 11.722 PRESSAVG: 827800 -24.5002 -66.3671 5.6233 -66.3671 -11.3446 -11.294 5.62339 -11.294 13.1138 GPRESSAVG: 827800 -25.923 -66.0401 4.81067 -68.6778 -10.9044 -9.46219 5.40455 -11.6386 14.4884 TIMING: 827800 CPU: 2604.42, 0.00314273/step Wall: 2604.42, 0.00314273/step, 3.64224 hours remaining, 234.664062 MB of memory in use. ENERGY: 827800 4006.7664 20501.4983 14496.1481 244.6067 -202920.4272 2292.9222 0.0000 0.0000 52123.0824 -109255.4030 299.5521 -161378.4854 -108894.2318 299.8073 -36.0652 -9.6726 762011.2430 -7.5770 -7.4463 PRESSURE: 828000 119.309 71.8749 -118.226 71.8749 -35.271 28.1938 -118.226 28.1932 547.546 GPRESSURE: 828000 145.992 121.922 -57.2047 93.3111 12.3531 94.6066 -201.601 -61.571 571.368 PRESSAVG: 828000 10.1535 -46.6694 29.2468 -46.6694 10.8413 15.3953 29.2468 15.3953 8.06993 GPRESSAVG: 828000 12.8316 -46.0392 28.644 -45.4143 10.9941 14.1757 28.73 15.1346 5.24755 TIMING: 828000 CPU: 2605.05, 0.00312878/step Wall: 2605.05, 0.00312878/step, 3.62591 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 828000 3958.3445 20454.1194 14493.3895 237.6910 -203197.7735 2564.4573 0.0000 0.0000 52007.5495 -109482.2224 298.8881 -161489.7719 -109125.9064 299.2998 210.5277 243.2379 761854.5142 9.6882 9.6911 PRESSURE: 828200 -78.592 133.584 -89.6365 133.584 -242.865 -181.583 -89.6361 -181.583 94.455 GPRESSURE: 828200 -60.0562 223.932 -2.13875 33.0969 -162.284 -214.545 -12.7095 -85.9851 84.6455 PRESSAVG: 828200 -6.89268 -33.8525 -21.6104 -33.8525 8.19169 7.54201 -21.6104 7.54199 19.0495 GPRESSAVG: 828200 -7.58198 -37.0152 -19.8638 -34.0872 6.68743 7.10662 -22.4116 8.57777 21.263 TIMING: 828200 CPU: 2605.67, 0.00313206/step Wall: 2605.67, 0.00313206/step, 3.62954 hours remaining, 234.664062 MB of memory in use. ENERGY: 828200 4014.6655 20478.1186 14425.1548 239.2797 -203207.9157 2790.6106 0.0000 0.0000 51805.7098 -109454.3767 297.7281 -161260.0865 -109096.1087 298.6381 -75.6672 -45.8984 762615.3909 6.7828 6.7895 LDB: ============= START OF LOAD BALANCING ============== 2618.07 LDB: ============== END OF LOAD BALANCING =============== 2618.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2618.07 LDB: ============= START OF LOAD BALANCING ============== 2618.39 LDB: Largest compute 7077 load 0.034818 is 17.8% of average load 0.195924 LDB: Average compute 0.004356 is 2.2% of average load 0.195924 LDB: TIME 2618.39 LOAD: AVG 0.195924 MAX 0.217801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.461 MB LDB: TIME 2618.39 LOAD: AVG 0.195924 MAX 0.217801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: TIME 2618.39 LOAD: AVG 0.195924 MAX 0.217801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: ============== END OF LOAD BALANCING =============== 2618.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2618.4 PRESSURE: 828400 43.5135 168.355 -115.9 168.356 85.0683 133.981 -115.9 133.982 480.017 GPRESSURE: 828400 93.9817 115.509 -56.8315 168.553 94.947 176.176 -101.607 79.1967 479.071 PRESSAVG: 828400 37.1706 -17.6746 -4.9968 -17.6746 -22.3863 28.3861 -4.9968 28.3862 5.27663 GPRESSAVG: 828400 37.2441 -15.4058 -5.88258 -16.8266 -20.9208 27.0535 -2.62655 28.5098 3.56427 TIMING: 828400 CPU: 2606.32, 0.00321593/step Wall: 2606.32, 0.00321593/step, 3.72655 hours remaining, 234.460938 MB of memory in use. ENERGY: 828400 3943.3591 20539.4238 14482.2572 268.9365 -203220.1359 2585.0368 0.0000 0.0000 51905.1634 -109495.9591 298.2997 -161401.1225 -109137.4267 298.9215 202.8663 222.6665 761836.1179 6.6870 6.6292 PRESSURE: 828600 303.946 -63.6303 106.581 -63.6293 -69.912 -39.47 106.582 -39.4714 165.11 GPRESSURE: 828600 282.21 69.1935 28.8405 -98.9019 -22.0162 11.7139 157.296 23.117 198.642 PRESSAVG: 828600 32.8567 -29.2729 -10.959 -29.2729 -28.5962 7.65967 -10.959 7.65964 -2.16607 GPRESSAVG: 828600 32.2512 -29.0108 -11.5542 -30.722 -28.6888 8.69206 -9.72532 6.51456 -1.45582 TIMING: 828600 CPU: 2606.95, 0.00316516/step Wall: 2606.95, 0.00316516/step, 3.66754 hours remaining, 234.703125 MB of memory in use. ENERGY: 828600 3978.3358 20587.9179 14505.1710 237.7037 -203192.6866 2523.3020 0.0000 0.0000 51892.8828 -109467.3733 298.2291 -161360.2561 -109122.2714 298.9144 133.0481 152.9451 762777.3158 0.6981 0.7022 PRESSURE: 828800 -53.8747 -141.618 -44.925 -141.618 302.07 190.185 -44.9247 190.186 -202.664 GPRESSURE: 828800 -53.8631 -59.0217 -33.5796 -130.261 363.016 80.3191 -49.2698 198.484 -182.818 PRESSAVG: 828800 -6.04259 -33.1981 4.62041 -33.1981 36.4182 -51.1713 4.62032 -51.1712 0.780109 GPRESSAVG: 828800 -6.50626 -31.6222 5.87792 -34.448 36.9777 -53.066 3.75976 -49.8476 0.157952 TIMING: 828800 CPU: 2607.58, 0.00313298/step Wall: 2607.58, 0.00313298/step, 3.63007 hours remaining, 234.703125 MB of memory in use. ENERGY: 828800 3995.2883 20407.5758 14468.4775 240.5800 -203382.9553 2817.9917 0.0000 0.0000 52106.9726 -109346.0695 299.4595 -161453.0421 -108982.3433 299.2851 15.1773 42.1117 761446.3830 10.3852 10.2098 PRESSURE: 829000 -29.1674 70.0095 52.562 70.0091 185.205 -157.848 52.5613 -157.849 -170.756 GPRESSURE: 829000 59.6605 -6.41132 -33.0168 80.8401 204.687 -95.4148 27.4669 -90.2108 -199.206 PRESSAVG: 829000 -48.0174 11.0008 5.99102 11.0008 39.0246 25.3769 5.99103 25.377 23.6692 GPRESSAVG: 829000 -47.698 9.2334 4.3429 13.3706 39.254 27.8585 3.96795 22.8011 23.2514 TIMING: 829000 CPU: 2608.2, 0.00312021/step Wall: 2608.2, 0.00312021/step, 3.61511 hours remaining, 234.703125 MB of memory in use. ENERGY: 829000 3935.4570 20434.0015 14412.5568 247.0933 -203240.2390 2731.0517 0.0000 0.0000 52151.5130 -109328.5656 299.7155 -161480.0786 -108964.0356 299.1998 -4.9063 21.7140 763894.3320 4.8921 4.9358 PRESSURE: 829200 172.175 18.7309 -197.523 18.7301 50.6341 211.154 -197.523 211.155 391.633 GPRESSURE: 829200 226.003 10.4958 -178.045 -15.0009 125.185 134.032 -134.548 273.026 339.252 PRESSAVG: 829200 -43.9623 6.90656 13.5797 6.90656 60.9869 -24.5781 13.5797 -24.5781 -5.17344 GPRESSAVG: 829200 -44.0343 5.43829 14.549 7.62396 61.0064 -25.9656 14.8658 -22.5192 -5.06666 TIMING: 829200 CPU: 2608.82, 0.00312283/step Wall: 2608.82, 0.00312283/step, 3.61797 hours remaining, 234.703125 MB of memory in use. ENERGY: 829200 3939.5867 20481.4724 14342.1993 249.4309 -203414.3371 2869.1059 0.0000 0.0000 52119.1022 -109413.4397 299.5292 -161532.5419 -109059.6330 299.1109 204.8141 230.1465 761614.9830 3.9504 3.9685 PRESSURE: 829400 9.88928 161.397 116.185 161.396 184.315 299.1 116.186 299.101 231.922 GPRESSURE: 829400 105.042 175.533 132.015 78.0037 227.09 282.752 42.9189 221.327 176.264 PRESSAVG: 829400 3.14986 -18.9811 26.8191 -18.9812 -36.8529 42.6975 26.8191 42.6975 12.5101 GPRESSAVG: 829400 3.18253 -17.8032 25.7372 -19.2945 -37.7482 45.433 26.8083 39.6488 13.1508 TIMING: 829400 CPU: 2609.45, 0.0031198/step Wall: 2609.45, 0.0031198/step, 3.61429 hours remaining, 234.703125 MB of memory in use. ENERGY: 829400 3968.4063 20504.8401 14468.4643 240.3347 -203396.9106 2722.5729 0.0000 0.0000 52067.9354 -109424.3570 299.2351 -161492.2924 -109069.6228 299.3227 142.0424 169.4653 761339.5359 -7.0643 -7.1383 PRESSURE: 829600 -58.7105 -15.6166 -36.7121 -15.6162 -198.498 -133.849 -36.7122 -133.85 -32.2981 GPRESSURE: 829600 38.3731 -28.3377 -91.5965 45.4981 -189.611 -138.12 49.1985 -155.139 -65.9375 PRESSAVG: 829600 -12.2333 -13.6403 -24.8897 -13.6402 10.0236 22.3768 -24.8897 22.3769 13.5104 GPRESSAVG: 829600 -11.1804 -14.4678 -25.9801 -13.71 9.05719 19.8318 -24.1501 27.4193 13.6578 TIMING: 829600 CPU: 2610.07, 0.00312701/step Wall: 2610.07, 0.00312701/step, 3.62247 hours remaining, 234.703125 MB of memory in use. ENERGY: 829600 4009.3746 20362.2037 14404.4508 241.2653 -203609.2696 2731.4711 0.0000 0.0000 52311.8803 -109548.6238 300.6371 -161860.5041 -109195.5854 299.1413 -96.5024 -72.3920 763982.0919 3.7669 3.8449 PRESSURE: 829800 155.267 -21.065 156.863 -21.0653 -187.596 122.852 156.863 122.852 -63.4668 GPRESSURE: 829800 147.39 20.7485 165.412 51.5933 -129.26 0.420085 122.885 89.4422 -21.3439 PRESSAVG: 829800 66.4916 -32.249 49.9673 -32.249 -72.2523 25.3308 49.9672 25.3308 -5.24494 GPRESSAVG: 829800 64.7238 -28.9721 51.8783 -34.3582 -70.2691 26.1987 49.061 23.5981 -5.2342 TIMING: 829800 CPU: 2610.7, 0.003126/step Wall: 2610.7, 0.003126/step, 3.62112 hours remaining, 234.703125 MB of memory in use. ENERGY: 829800 3918.3684 20517.2140 14442.9962 263.4725 -203384.7828 2579.4085 0.0000 0.0000 52212.3241 -109450.9991 300.0649 -161663.3232 -109090.4317 298.9985 -31.9319 -1.0712 762647.9559 -3.6685 -3.5932 PRESSURE: 830000 136.315 67.17 -31.6937 67.17 -147.153 65.8541 -31.6929 65.8532 450.783 GPRESSURE: 830000 192.925 42.5314 -12.4878 24.7516 -177.706 114.961 84.7107 60.8023 505.652 PRESSAVG: 830000 55.4529 -34.4361 9.55414 -34.4361 -33.6083 74.668 9.55419 74.6681 1.62276 GPRESSAVG: 830000 56.5454 -33.4384 9.86584 -34.7812 -35.0756 76.719 8.29825 74.6773 2.08971 TIMING: 830000 CPU: 2611.32, 0.00312474/step Wall: 2611.32, 0.00312474/step, 3.61949 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 830000 3925.3955 20516.8924 14432.4738 228.2461 -203073.6343 2451.9498 0.0000 0.0000 51892.5257 -109626.1510 298.2271 -161518.6767 -109264.9502 298.3995 146.6484 173.6237 762476.9716 7.8225 7.8531 PRESSURE: 830200 -98.4211 -116.333 -221.58 -116.334 147.712 -54.5041 -221.58 -54.5051 -85.6828 GPRESSURE: 830200 -85.6901 -8.66943 -241.534 -139.278 199.914 -57.3343 -205.963 -178.004 -72.0454 PRESSAVG: 830200 -36.6025 16.3657 24.0769 16.3658 18.4808 46.5182 24.077 46.5182 -30.3786 GPRESSAVG: 830200 -37.1726 15.9491 22.8051 16.1607 19.2121 45.0266 26.2422 46.8648 -31.1995 TIMING: 830200 CPU: 2611.95, 0.00314102/step Wall: 2611.95, 0.00314102/step, 3.63818 hours remaining, 234.703125 MB of memory in use. ENERGY: 830200 3961.4180 20457.0499 14480.1597 232.6620 -203181.0714 2623.4288 0.0000 0.0000 51709.2957 -109717.0573 297.1740 -161426.3530 -109357.1709 298.2821 -12.1308 14.0597 763978.1260 -16.1668 -16.3867 PRESSURE: 830400 -8.29112 -115.428 -150.875 -115.428 -96.6031 -48.9063 -150.875 -48.9057 -141.229 GPRESSURE: 830400 2.46543 -78.8161 -192.432 -128.888 -50.1056 -50.9969 -130.996 -20.3745 -126.938 PRESSAVG: 830400 -20.1962 -27.858 -11.3301 -27.858 17.2117 -32.6979 -11.3301 -32.6979 32.2013 GPRESSAVG: 830400 -20.0503 -31.3215 -10.412 -26.1113 17.0765 -33.0278 -14.1763 -34.4029 33.0253 TIMING: 830400 CPU: 2612.58, 0.00314488/step Wall: 2612.58, 0.00314488/step, 3.64248 hours remaining, 234.703125 MB of memory in use. ENERGY: 830400 3967.5037 20451.5026 14501.8472 264.1737 -203780.4839 2925.6893 0.0000 0.0000 51841.6850 -109828.0824 297.9349 -161669.7674 -109462.1415 298.3274 -82.0409 -58.1929 761130.6932 9.7389 10.0172 PRESSURE: 830600 -72.5079 82.3292 127.169 82.3279 10.1913 83.0027 127.167 83.0028 27.4937 GPRESSURE: 830600 -32.109 81.5733 202.413 38.8426 56.2215 75.141 161.969 -9.30625 16.9309 PRESSAVG: 830600 -48.5994 -23.4647 11.2623 -23.4647 49.2696 -2.35566 11.2623 -2.35568 14.8819 GPRESSAVG: 830600 -48.5801 -22.5115 11.7557 -23.8075 50.5079 -2.92917 13.579 -0.272161 13.9265 TIMING: 830600 CPU: 2613.21, 0.00312777/step Wall: 2613.21, 0.00312777/step, 3.62248 hours remaining, 234.703125 MB of memory in use. ENERGY: 830600 3954.6914 20528.9221 14498.9628 237.7678 -203264.4870 2454.7093 0.0000 0.0000 51812.7982 -109776.6354 297.7689 -161589.4336 -109411.4691 298.6943 -11.6076 13.6811 761154.8734 5.1840 5.2847 PRESSURE: 830800 -121.049 41.2368 202.188 41.2369 401.187 69.1812 202.188 69.1807 58.7132 GPRESSURE: 830800 6.15032 -82.4759 130.229 175.151 365.833 62.7887 49.1606 123.411 39.6746 PRESSAVG: 830800 -18.2621 -20.2745 28.4077 -20.2745 63.5748 9.69446 28.4076 9.6945 -15.1663 GPRESSAVG: 830800 -17.0465 -19.0916 27.7053 -19.512 62.4558 8.88812 29.4509 11.3762 -15.404 TIMING: 830800 CPU: 2613.83, 0.00311924/step Wall: 2613.83, 0.00311924/step, 3.61242 hours remaining, 234.703125 MB of memory in use. ENERGY: 830800 3909.2285 20500.2897 14464.8933 268.7086 -203520.6570 2651.0158 0.0000 0.0000 52046.7659 -109679.7553 299.1135 -161726.5211 -109312.7008 298.4923 112.9506 137.2194 760989.5959 10.0488 10.0017 PRESSURE: 831000 0.196065 83.2093 -119.828 83.2092 -0.65235 -133.518 -119.828 -133.517 78.9684 GPRESSURE: 831000 64.5836 92.0235 -22.9293 -20.542 17.9979 -122.874 -216.686 -73.2099 91.2537 PRESSAVG: 831000 -69.7236 15.0868 8.4993 15.0868 50.5682 -9.02547 8.4993 -9.02544 1.01912 GPRESSAVG: 831000 -69.988 14.7723 9.01877 11.4722 50.5966 -8.2212 5.37102 -9.60718 1.30796 TIMING: 831000 CPU: 2614.46, 0.00314981/step Wall: 2614.46, 0.00314981/step, 3.64766 hours remaining, 234.703125 MB of memory in use. ENERGY: 831000 4041.1222 20198.9677 14449.4869 244.7213 -202992.5368 2489.6972 0.0000 0.0000 51878.1204 -109690.4211 298.1443 -161568.5416 -109328.9168 298.6293 26.1707 57.9451 761986.6062 -6.0454 -6.0278 PRESSURE: 831200 -192.055 -186.288 14.2198 -186.287 183.088 193.374 14.2198 193.375 -28.2213 GPRESSURE: 831200 -131.993 -113.177 -46.3752 -242.711 240.63 117.082 -95.1442 60.3322 -49.3689 PRESSAVG: 831200 27.0908 -50.9601 8.91751 -50.9601 16.467 32.3113 8.91749 32.3113 -10.9469 GPRESSAVG: 831200 26.4357 -49.6427 8.26648 -50.712 17.2766 33.5197 11.869 28.2788 -10.773 TIMING: 831200 CPU: 2615.09, 0.00314334/step Wall: 2615.09, 0.00314334/step, 3.63999 hours remaining, 234.703125 MB of memory in use. ENERGY: 831200 3957.8819 20470.3196 14383.9189 257.9975 -202980.7460 2344.1540 0.0000 0.0000 51765.6117 -109800.8623 297.4977 -161566.4740 -109442.4774 298.3051 -12.3964 19.7561 760916.0147 10.8703 10.9798 PRESSURE: 831400 -377.684 -297.523 -9.12457 -297.523 -152.19 -44.1083 -9.12393 -44.1075 -464.683 GPRESSURE: 831400 -403.82 -427.278 11.6248 -240.775 -60.6268 -13.8379 -166.423 -2.30724 -439.604 PRESSAVG: 831400 14.9822 11.3619 -20.3061 11.3619 15.8074 28.1836 -20.3061 28.1836 -13.3372 GPRESSAVG: 831400 15.2325 10.3021 -21.3634 14.1377 15.2873 27.7114 -21.3129 32.1029 -13.2384 TIMING: 831400 CPU: 2615.72, 0.00316186/step Wall: 2615.72, 0.00316186/step, 3.66126 hours remaining, 234.703125 MB of memory in use. ENERGY: 831400 4033.1884 20442.8502 14397.6586 246.6159 -203169.4111 2363.2506 0.0000 0.0000 52075.7439 -109610.1035 299.2800 -161685.8474 -109241.2338 298.4555 -331.5192 -301.3501 761728.9352 5.8175 5.7605 PRESSURE: 831600 -168.952 -31.0381 -38.0199 -31.0384 300.69 -136.682 -38.0205 -136.682 -80.2103 GPRESSURE: 831600 -77.2986 8.47398 -7.79835 -76.8882 312.351 -161.646 -44.6136 -174.882 -123.259 PRESSAVG: 831600 -53.2614 52.4908 -70.3642 52.4908 0.505054 19.4743 -70.3642 19.4743 -6.94973 GPRESSAVG: 831600 -53.6812 50.8449 -69.049 53.2479 1.22022 19.8682 -69.3193 17.1678 -7.15032 TIMING: 831600 CPU: 2616.35, 0.0031465/step Wall: 2616.35, 0.0031465/step, 3.64329 hours remaining, 234.703125 MB of memory in use. ENERGY: 831600 3970.3484 20370.8772 14476.7706 232.6842 -202865.0510 2504.9677 0.0000 0.0000 51888.0060 -109421.3968 298.2011 -161309.4029 -109060.0933 298.9232 17.1759 37.2645 761590.3089 -19.9020 -19.8704 PRESSURE: 831800 -40.6147 -153.146 131.333 -153.146 -468.547 104.422 131.334 104.422 155.895 GPRESSURE: 831800 -134.734 -166.222 128.739 -116.178 -351.383 80.8148 -35.8936 133.771 193.572 PRESSAVG: 831800 -0.94747 17.3555 -46.2805 17.3555 37.4012 48.6992 -46.2804 48.6992 20.9366 GPRESSAVG: 831800 -2.67838 17.7823 -45.622 16.5445 38.1971 46.781 -49.5397 50.777 21.6786 TIMING: 831800 CPU: 2616.98, 0.00314573/step Wall: 2616.98, 0.00314573/step, 3.64223 hours remaining, 234.703125 MB of memory in use. ENERGY: 831800 4004.1753 20417.7457 14431.3601 226.5197 -203449.3038 2694.1018 0.0000 0.0000 52020.3427 -109655.0585 298.9616 -161675.4012 -109297.7635 298.5106 -117.7556 -97.5148 761573.1271 19.1301 19.0658 PRESSURE: 832000 -388.744 134.426 -57.9291 134.426 -96.2081 170.697 -57.9292 170.697 12.6452 GPRESSURE: 832000 -231.501 207.392 -89.8262 -66.3069 -47.9855 201.148 -52.9089 128.311 -84.978 PRESSAVG: 832000 -79.9463 -28.8949 -6.47973 -28.8949 87.0479 31.0404 -6.47977 31.0405 -6.29127 GPRESSAVG: 832000 -78.284 -29.9832 -6.71916 -30.0606 85.5918 32.1504 -4.34402 29.4377 -6.75202 TIMING: 832000 CPU: 2617.61, 0.00315145/step Wall: 2617.61, 0.00315145/step, 3.64868 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 832000 3997.0000 20553.3115 14338.1585 244.2612 -202688.7243 2184.0172 0.0000 0.0000 51869.1747 -109502.8012 298.0929 -161371.9759 -109134.3515 298.5472 -157.4355 -121.4882 762113.5934 0.2701 0.1853 PRESSURE: 832200 112.388 -170.146 165.114 -170.146 -70.9363 105.951 165.114 105.951 -101.849 GPRESSURE: 832200 142.007 -87.8144 260.688 -129.274 -60.083 52.5496 158.403 118.094 -66.1331 PRESSAVG: 832200 17.8928 -24.854 28.0398 -24.8541 11.2622 -39.8878 28.0397 -39.8877 1.80109 GPRESSAVG: 832200 17.3628 -24.2163 26.8835 -25.4467 11.3002 -40.2816 31.0578 -41.8167 1.91944 TIMING: 832200 CPU: 2618.24, 0.00317246/step Wall: 2618.24, 0.00317246/step, 3.67282 hours remaining, 234.703125 MB of memory in use. ENERGY: 832200 3910.3722 20556.2647 14442.3548 250.7783 -203557.4432 2582.6226 0.0000 0.0000 52091.0420 -109724.0087 299.3679 -161815.0507 -109356.6764 298.7852 -20.1324 5.2635 762011.3969 10.3187 10.1942 LDB: ============= START OF LOAD BALANCING ============== 2630.65 LDB: ============== END OF LOAD BALANCING =============== 2630.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2630.65 LDB: ============= START OF LOAD BALANCING ============== 2630.96 LDB: Largest compute 7058 load 0.032980 is 16.8% of average load 0.196024 LDB: Average compute 0.004368 is 2.2% of average load 0.196024 LDB: TIME 2630.97 LOAD: AVG 0.196024 MAX 0.215853 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.012 MB LDB: TIME 2630.97 LOAD: AVG 0.196024 MAX 0.215853 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 2630.97 LOAD: AVG 0.196024 MAX 0.215853 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 2630.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2630.98 PRESSURE: 832400 -28.2924 -22.2574 299.631 -22.257 440.461 -61.4711 299.63 -61.4714 233.934 GPRESSURE: 832400 -6.05801 -12.4426 218.944 -35.1023 424.983 -52.3178 265.918 -11.0732 304.258 PRESSAVG: 832400 -10.1432 2.74042 12.3917 2.74054 -1.10229 25.3318 12.3917 25.3317 16.1383 GPRESSAVG: 832400 -10.5071 3.77873 12.6496 4.34905 -0.784068 23.8551 8.8935 27.8883 16.2338 TIMING: 832400 CPU: 2618.89, 0.00324284/step Wall: 2618.89, 0.00324284/step, 3.75413 hours remaining, 234.718750 MB of memory in use. ENERGY: 832400 3971.6392 20434.0763 14384.8111 250.0231 -203604.1589 2609.4762 0.0000 0.0000 52308.6398 -109645.4932 300.6185 -161954.1331 -109286.3043 298.4429 215.3674 241.0610 760027.1328 1.6309 1.6476 PRESSURE: 832600 406.07 177.565 -146.104 177.564 388.734 395.31 -146.104 395.309 65.9526 GPRESSURE: 832600 384.161 60.7241 -123.044 -12.0878 423.669 427.628 -67.7001 315.034 139.56 PRESSAVG: 832600 -8.41544 -12.7887 20.6939 -12.7888 46.4643 -23.9849 20.6939 -23.9849 13.3635 GPRESSAVG: 832600 -9.58028 -13.9198 20.2754 -12.1494 46.3351 -22.9623 22.4235 -25.6231 14.3604 TIMING: 832600 CPU: 2619.52, 0.00315727/step Wall: 2619.52, 0.00315727/step, 3.65489 hours remaining, 234.718750 MB of memory in use. ENERGY: 832600 3925.8270 20406.9610 14395.5174 225.6817 -203288.3869 2664.6348 0.0000 0.0000 52125.4789 -109544.2861 299.5658 -161669.7649 -109183.5569 298.9486 286.9189 315.7963 759937.1906 17.1375 17.0384 PRESSURE: 832800 -548.87 95.736 96.2409 95.7366 -236.446 -65.5624 96.2406 -65.5635 39.3677 GPRESSURE: 832800 -412.189 10.1873 91.8723 113.595 -217.18 -56.2241 47.7482 -83.8643 -29.3565 PRESSAVG: 832800 -31.0486 0.70436 9.33371 0.704403 52.1309 -11.0775 9.33362 -11.0775 -5.23517 GPRESSAVG: 832800 -29.8655 1.04475 10.2518 -1.47099 52.631 -11.9718 7.01441 -9.20458 -7.1293 TIMING: 832800 CPU: 2620.15, 0.00313606/step Wall: 2620.15, 0.00313606/step, 3.63016 hours remaining, 234.718750 MB of memory in use. ENERGY: 832800 3990.7453 20596.8492 14448.1922 250.6861 -203224.0609 2360.1300 0.0000 0.0000 52170.9920 -109406.4662 299.8274 -161577.4582 -109053.3980 299.1186 -248.6497 -219.5751 762380.9072 5.2824 5.2121 PRESSURE: 833000 -585.035 -103.913 53.7036 -103.913 -374.987 -66.0388 53.7037 -66.038 -405.423 GPRESSURE: 833000 -482.559 -199.758 16.1048 -57.2286 -425.604 -120.418 27.7125 -10.549 -369.633 PRESSAVG: 833000 -12.0027 22.4955 -14.1156 22.4955 -42.2289 -8.85153 -14.1156 -8.85146 -37.0722 GPRESSAVG: 833000 -10.6621 21.6432 -13.9667 24.2446 -44.9322 -9.00142 -12.1521 -9.41085 -35.8732 TIMING: 833000 CPU: 2620.78, 0.0031271/step Wall: 2620.78, 0.0031271/step, 3.61961 hours remaining, 234.718750 MB of memory in use. ENERGY: 833000 4057.5065 20521.8244 14371.6474 249.7012 -203354.8445 2621.7713 0.0000 0.0000 52109.4903 -109422.9035 299.4740 -161532.3937 -109060.4040 299.7331 -455.1480 -425.9320 763644.8447 -30.4346 -30.4892 PRESSURE: 833200 -71.5002 -46.5281 -352.222 -46.5282 -151.696 -63.1809 -352.221 -63.1804 134.516 GPRESSURE: 833200 -19.2589 -26.1989 -323.256 -83.3153 -152.616 -97.2305 -211.188 -130.483 134.173 PRESSAVG: 833200 -17.1046 -32.1849 -37.3538 -32.1849 19.8423 11.6875 -37.3538 11.6875 -30.031 GPRESSAVG: 833200 -18.755 -29.8218 -38.1997 -34.3001 21.727 12.9637 -35.5973 10.8433 -30.0677 TIMING: 833200 CPU: 2621.4, 0.0031323/step Wall: 2621.4, 0.0031323/step, 3.62547 hours remaining, 234.718750 MB of memory in use. ENERGY: 833200 3910.4116 20369.4511 14411.1547 232.0683 -203281.3030 2527.0932 0.0000 0.0000 52254.3112 -109576.8129 300.3062 -161831.1241 -109213.8258 299.3658 -29.5600 -12.5675 762975.0584 -9.0977 -9.0319 PRESSURE: 833400 -58.6178 -52.2151 10.8457 -52.2158 -45.0622 154.43 10.8464 154.429 157.605 GPRESSURE: 833400 -9.93656 -34.0889 145.669 -10.5289 -16.3245 123.871 -167.542 166.49 167.96 PRESSAVG: 833400 8.19543 -3.0275 -64.449 -3.02751 -17.5508 0.536634 -64.449 0.536584 10.4178 GPRESSAVG: 833400 9.87802 -4.46216 -63.4166 -2.51172 -18.4465 0.838126 -66.4178 -0.520736 9.87289 TIMING: 833400 CPU: 2622.03, 0.00315473/step Wall: 2622.03, 0.00315473/step, 3.65125 hours remaining, 234.718750 MB of memory in use. ENERGY: 833400 3965.1041 20315.8285 14451.0387 255.1017 -203248.3665 2482.5097 0.0000 0.0000 52118.2153 -109660.5686 299.5241 -161778.7839 -109296.1854 298.8420 17.9751 47.2329 760944.5647 0.3541 0.4348 PRESSURE: 833600 -255.861 49.8222 -117.883 49.8216 601.874 68.4205 -117.883 68.4211 126.939 GPRESSURE: 833600 -254.133 -76.4018 -144.441 103.281 592.539 83.9782 -268.18 9.69173 197.043 PRESSAVG: 833600 -52.8215 0.808929 -83.2151 0.808973 75.2722 17.1933 -83.2151 17.1932 -12.5674 GPRESSAVG: 833600 -53.3732 -0.621085 -81.9727 1.61935 75.0728 13.6865 -83.8543 20.9896 -11.9432 TIMING: 833600 CPU: 2622.66, 0.00315391/step Wall: 2622.66, 0.00315391/step, 3.65013 hours remaining, 234.718750 MB of memory in use. ENERGY: 833600 3980.7051 20555.0803 14502.3742 231.0348 -203175.4095 2378.8731 0.0000 0.0000 51720.4094 -109806.9325 297.2379 -161527.3418 -109453.1461 298.7950 157.6509 178.4830 759063.3817 3.2944 3.2521 PRESSURE: 833800 207.044 76.8224 6.0272 76.8221 -222.995 -132.313 6.02732 -132.313 316.182 GPRESSURE: 833800 217.256 124.645 0.438421 54.599 -148.632 -193.928 53.0465 -98.8233 317.229 PRESSAVG: 833800 -5.97731 26.5428 -83.3227 26.5428 25.9718 5.26604 -83.3227 5.26605 3.46418 GPRESSAVG: 833800 -6.17896 26.9784 -84.6616 27.5198 26.6106 7.30618 -82.6605 2.80563 2.92335 TIMING: 833800 CPU: 2623.3, 0.00316765/step Wall: 2623.3, 0.00316766/step, 3.66586 hours remaining, 234.718750 MB of memory in use. ENERGY: 833800 3956.3990 20375.3356 14423.5680 233.2992 -203275.8824 2524.7286 0.0000 0.0000 52005.2987 -109757.2534 298.8752 -161762.5521 -109389.0321 298.9190 100.0770 128.6176 759033.5154 7.8196 7.7850 PRESSURE: 834000 -240.336 -107.509 190.462 -107.509 -61.1247 39.4872 190.463 39.4875 50.5195 GPRESSURE: 834000 -221.167 -88.1471 170.236 -128.935 51.1306 78.6713 170.76 77.4086 -4.30892 PRESSAVG: 834000 -25.9631 -15.6878 7.70928 -15.6877 15.7565 -4.68531 7.70933 -4.68529 -4.18004 GPRESSAVG: 834000 -26.3398 -14.4026 9.67879 -16.0147 16.1325 -3.61135 7.39195 -5.9737 -4.63314 TIMING: 834000 CPU: 2623.93, 0.00315934/step Wall: 2623.93, 0.00315934/step, 3.65605 hours remaining, 234.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 834000 4012.9020 20549.4915 14498.8861 248.9517 -203475.8146 2470.2619 0.0000 0.0000 51957.7712 -109737.5502 298.6020 -161695.3213 -109381.7519 299.3340 -83.6472 -58.1152 759134.6319 -4.7956 -4.9468 PRESSURE: 834200 -252.519 51.6268 -56.6285 51.6271 -242.235 155.54 -56.6281 155.541 -177.644 GPRESSURE: 834200 -308.66 -126.067 -96.2806 118.88 -156.358 132.678 -34.3774 123.745 -124.655 PRESSAVG: 834200 -11.341 5.10055 -18.1793 5.10057 3.86008 -39.2435 -18.1793 -39.2436 -15.5298 GPRESSAVG: 834200 -12.4358 3.03938 -19.222 6.74697 4.17299 -41.5494 -16.836 -37.264 -14.6712 TIMING: 834200 CPU: 2624.56, 0.00315301/step Wall: 2624.56, 0.00315301/step, 3.64856 hours remaining, 234.718750 MB of memory in use. ENERGY: 834200 3940.0038 20569.4921 14513.4961 226.0166 -203393.1958 2349.2027 0.0000 0.0000 52099.7747 -109695.2098 299.4181 -161794.9845 -109329.6204 298.7574 -224.1329 -196.5576 762021.8182 -7.6702 -7.6447 PRESSURE: 834400 -27.5168 48.3645 -18.098 48.3648 182.166 -210.123 -18.0974 -210.124 573.076 GPRESSURE: 834400 32.6886 130.709 -34.5159 -38.4525 223.251 -167.719 -85.4662 -190.145 557.895 PRESSAVG: 834400 -21.5451 29.8894 -58.0685 29.8894 20.6482 43.7002 -58.0684 43.7002 -12.6373 GPRESSAVG: 834400 -20.9475 29.8284 -58.7994 27.3388 21.393 44.3691 -59.4279 43.0547 -13.8671 TIMING: 834400 CPU: 2625.19, 0.00314844/step Wall: 2625.19, 0.00314844/step, 3.64309 hours remaining, 234.718750 MB of memory in use. ENERGY: 834400 4003.5983 20465.4261 14502.7997 254.6659 -203639.7244 2560.8335 0.0000 0.0000 52061.7837 -109790.6172 299.1998 -161852.4009 -109427.8337 298.6426 242.5752 271.2780 758129.1669 -4.5114 -4.4739 PRESSURE: 834600 76.6876 65.5178 12.5779 65.5176 -93.6935 -86.3059 12.5774 -86.3042 -370.761 GPRESSURE: 834600 161.432 112.358 115.907 97.0324 -133.532 -51.01 -40.4666 53.2625 -321.995 PRESSAVG: 834600 35.1888 10.7722 -50.0234 10.7722 -26.6446 1.18042 -50.0234 1.18046 8.07925 GPRESSAVG: 834600 35.8543 12.5887 -49.198 10.6531 -27.5349 0.848506 -48.4575 2.35602 9.15825 TIMING: 834600 CPU: 2625.82, 0.00314336/step Wall: 2625.82, 0.00314336/step, 3.63705 hours remaining, 234.718750 MB of memory in use. ENERGY: 834600 3982.9929 20364.8332 14489.5632 246.4729 -203082.6849 2229.6303 0.0000 0.0000 52040.2121 -109728.9802 299.0758 -161769.1923 -109348.8609 298.7774 -129.2556 -98.0317 758250.5236 5.5412 5.8259 PRESSURE: 834800 154.329 151.444 54.0014 151.444 -57.3278 181.611 54.0012 181.611 -93.4614 GPRESSURE: 834800 160.919 225.664 89.7674 115.923 -14.8606 261.707 10.449 86.0688 -49.4845 PRESSAVG: 834800 -7.17063 -1.60573 66.5594 -1.60573 4.86449 28.455 66.5593 28.455 -13.2379 GPRESSAVG: 834800 -7.10003 -0.299701 65.6189 -1.84409 4.98971 28.0039 64.2112 28.0405 -13.8175 TIMING: 834800 CPU: 2626.45, 0.00315393/step Wall: 2626.45, 0.00315393/step, 3.6491 hours remaining, 234.718750 MB of memory in use. ENERGY: 834800 3970.2942 20577.1978 14448.2570 241.9765 -203276.7272 2460.8906 0.0000 0.0000 51964.0804 -109614.0308 298.6383 -161578.1112 -109252.7900 298.9537 1.1798 32.1912 758881.1472 -5.1814 -5.3093 PRESSURE: 835000 22.3288 110.495 -7.08217 110.495 158.003 -76.3349 -7.08236 -76.3358 -258.812 GPRESSURE: 835000 41.7725 -47.0965 -3.42218 138.378 198.243 -107.409 3.33885 -77.1075 -230.189 PRESSAVG: 835000 12.7273 40.0025 22.0394 40.0024 -50.3092 14.8487 22.0394 14.8488 4.95778 GPRESSAVG: 835000 12.0665 38.8018 22.7085 40.2223 -48.9044 13.867 24.0749 17.1431 4.23261 TIMING: 835000 CPU: 2627.08, 0.00315937/step Wall: 2627.08, 0.00315937/step, 3.65521 hours remaining, 234.718750 MB of memory in use. ENERGY: 835000 4002.1974 20427.4920 14397.6577 241.4797 -203349.1216 2445.9126 0.0000 0.0000 52144.6452 -109689.7369 299.6760 -161834.3821 -109325.3931 298.9854 -26.1603 3.2757 757332.5708 -10.8747 -10.8685 PRESSURE: 835200 -158.632 -158.831 -59.6049 -158.831 40.641 -67.3011 -59.6056 -67.3001 -371.626 GPRESSURE: 835200 -70.2734 -193.831 -44.9552 -267.68 -39.9745 -72.1057 -78.6602 -210.555 -309.773 PRESSAVG: 835200 -7.55586 41.2756 29.4638 41.2755 -4.75711 -44.7079 29.4638 -44.7079 -3.41187 GPRESSAVG: 835200 -6.31639 41.0729 29.3695 42.5157 -7.30769 -43.7902 30.8341 -46.0516 -2.30217 TIMING: 835200 CPU: 2627.72, 0.00317124/step Wall: 2627.72, 0.00317124/step, 3.66877 hours remaining, 234.718750 MB of memory in use. ENERGY: 835200 3975.2214 20467.9765 14414.6362 250.5065 -203599.5105 2703.2799 0.0000 0.0000 52232.3807 -109555.5093 300.1802 -161787.8900 -109184.9064 298.8552 -163.2055 -140.0069 760671.9027 -5.2416 -5.3088 PRESSURE: 835400 117.425 -0.795429 40.4968 -0.795498 223.007 -146.262 40.4963 -146.262 217.246 GPRESSURE: 835400 39.1222 8.18624 49.6782 -47.5125 376.466 -139.38 35.2475 -27.8737 212.436 PRESSAVG: 835400 54.4068 20.2521 9.16437 20.2522 -22.5796 -46.3729 9.16434 -46.3729 12.8017 GPRESSAVG: 835400 54.3127 20.1306 9.532 18.2103 -21.7257 -45.2224 8.48431 -47.8164 12.0058 TIMING: 835400 CPU: 2628.35, 0.00318072/step Wall: 2628.35, 0.00318072/step, 3.67957 hours remaining, 234.718750 MB of memory in use. ENERGY: 835400 4039.6963 20530.3812 14399.9339 235.0071 -203380.1569 2647.6115 0.0000 0.0000 52232.9994 -109294.5275 300.1838 -161527.5270 -108935.8491 299.1530 185.8928 209.3414 760565.2497 14.8763 14.8643 PRESSURE: 835600 -238.013 221.433 203.161 221.433 91.4072 96.8433 203.161 96.8436 204.696 GPRESSURE: 835600 -131.375 277.223 141.561 137.594 107.604 38.2366 118.751 80.5435 152.675 PRESSAVG: 835600 28.0694 0.294628 34.7404 0.294629 -47.8117 -22.1935 34.7405 -22.1935 26.0279 GPRESSAVG: 835600 27.2556 1.1274 34.3965 2.12098 -48.7494 -21.7228 34.1514 -20.6609 27.5574 TIMING: 835600 CPU: 2628.98, 0.00316195/step Wall: 2628.98, 0.00316195/step, 3.65768 hours remaining, 234.718750 MB of memory in use. ENERGY: 835600 3954.8336 20558.9249 14394.8153 252.7646 -203191.6835 2466.8705 0.0000 0.0000 52124.5723 -109438.9024 299.5606 -161563.4747 -109076.6270 299.7349 19.3632 42.9677 760919.4833 2.0952 2.0212 PRESSURE: 835800 459.678 6.6821 194.786 6.68201 63.4833 69.5901 194.786 69.5904 485.829 GPRESSURE: 835800 493.812 -4.54522 179.341 -69.4385 55.5655 45.8757 169.181 166.535 521.382 PRESSAVG: 835800 -5.67793 -10.003 9.77106 -10.003 -28.3174 -40.7857 9.77097 -40.7857 28.6337 GPRESSAVG: 835800 -6.26301 -11.4316 9.53322 -10.1721 -27.4956 -42.1371 9.03719 -42.1865 28.3967 TIMING: 835800 CPU: 2629.62, 0.00316256/step Wall: 2629.62, 0.00316256/step, 3.6582 hours remaining, 234.718750 MB of memory in use. ENERGY: 835800 3921.5234 20533.2592 14463.3559 239.4614 -203578.2795 2897.7802 0.0000 0.0000 52053.6375 -109469.2618 299.1530 -161522.8994 -109106.4238 299.7577 336.3301 356.9197 759657.0343 -1.7872 -1.7873 PRESSURE: 836000 126.2 39.6258 15.1632 39.626 -77.2309 -258.892 15.1635 -258.893 400.447 GPRESSURE: 836000 209.61 43.2414 -66.1894 -42.1498 -105.163 -298.583 -104.42 -150.28 427.815 PRESSAVG: 836000 55.7555 9.76322 7.48417 9.76323 -84.1921 32.3715 7.48414 32.3715 -16.9524 GPRESSAVG: 836000 56.1428 12.3091 8.55145 6.4355 -83.4345 32.6332 7.92242 32.5318 -18.1749 TIMING: 836000 CPU: 2630.25, 0.00316639/step Wall: 2630.25, 0.00316639/step, 3.66246 hours remaining, 234.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 836000 3957.1487 20461.9239 14491.6806 235.6902 -203445.5489 2730.0759 0.0000 0.0000 51992.9053 -109576.1243 298.8039 -161569.0296 -109207.8812 299.2502 149.8053 177.4208 760366.4365 -15.1297 -15.1555 PRESSURE: 836200 -263.387 19.4912 293.717 19.4902 -125.02 213.796 293.718 213.796 164.112 GPRESSURE: 836200 -321.247 47.7772 252.35 -34.0578 26.6437 191.414 203.573 183.369 149.795 PRESSAVG: 836200 -3.25146 23.766 -19.245 23.766 -21.5156 -19.7389 -19.245 -19.7389 -15.4904 GPRESSAVG: 836200 -2.79192 20.3358 -18.1903 28.1868 -24.8101 -20.1542 -18.8811 -19.8222 -13.2161 TIMING: 836200 CPU: 2630.89, 0.00317805/step Wall: 2630.89, 0.00317805/step, 3.67577 hours remaining, 234.718750 MB of memory in use. ENERGY: 836200 3967.8795 20454.2019 14480.6009 236.1103 -203169.2558 2403.2863 0.0000 0.0000 51819.5782 -109807.5988 297.8078 -161627.1770 -109454.7627 298.8407 -74.7651 -48.2694 759188.4256 -13.4192 -13.6060 LDB: ============= START OF LOAD BALANCING ============== 2643.28 LDB: ============== END OF LOAD BALANCING =============== 2643.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2643.29 LDB: ============= START OF LOAD BALANCING ============== 2643.6 LDB: Largest compute 7077 load 0.034158 is 17.4% of average load 0.195861 LDB: Average compute 0.004364 is 2.2% of average load 0.195861 LDB: TIME 2643.61 LOAD: AVG 0.195861 MAX 0.214726 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 2643.61 LOAD: AVG 0.195861 MAX 0.214726 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: TIME 2643.61 LOAD: AVG 0.195861 MAX 0.214726 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: ============== END OF LOAD BALANCING =============== 2643.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2643.61 PRESSURE: 836400 68.7019 15.5071 185.046 15.5074 -240.583 23.0234 185.045 23.0224 -1.57278 GPRESSURE: 836400 111.498 63.1762 184.643 63.768 -228.771 19.2779 206.864 -81.4223 15.767 PRESSAVG: 836400 73.9499 7.0935 -27.1098 7.09347 -47.7164 -4.53711 -27.1099 -4.53717 5.40031 GPRESSAVG: 836400 73.6717 9.52966 -27.2288 4.28108 -45.6891 -2.69404 -29.1141 -5.56649 3.69987 TIMING: 836400 CPU: 2631.53, 0.00322062/step Wall: 2631.53, 0.00322062/step, 3.72483 hours remaining, 234.460938 MB of memory in use. ENERGY: 836400 4011.0911 20399.0709 14476.9871 268.2856 -203435.6313 2594.8882 0.0000 0.0000 51951.1111 -109734.1973 298.5637 -161685.3084 -109372.6384 298.2605 -57.8179 -33.8353 759910.7792 10.5446 10.5608 PRESSURE: 836600 -109.539 -79.1931 221.845 -79.193 121.969 -59.9768 221.844 -59.9774 412.619 GPRESSURE: 836600 -72.6022 38.7299 264.308 -130.632 156.346 -39.9184 144.884 -35.0537 431.668 PRESSAVG: 836600 14.0489 8.31687 -8.4389 8.31688 -25.9055 41.8581 -8.43891 41.858 -23.5018 GPRESSAVG: 836600 15.6099 9.42949 -10.4643 8.73154 -27.0615 40.1967 -8.0403 43.6493 -23.7798 TIMING: 836600 CPU: 2632.16, 0.00315816/step Wall: 2632.16, 0.00315816/step, 3.65242 hours remaining, 234.500000 MB of memory in use. ENERGY: 836600 3962.0619 20446.1734 14409.7935 242.3026 -203374.4275 2517.0365 0.0000 0.0000 51952.2806 -109844.7790 298.5705 -161797.0596 -109484.8527 298.4027 141.6829 171.8041 760575.4458 -11.7862 -11.7438 PRESSURE: 836800 74.8516 -145.835 141.96 -145.835 33.4881 -84.5775 141.96 -84.5766 -63.259 GPRESSURE: 836800 21.0507 -90.6879 129.301 -103.998 131.661 -158.306 179.899 38.6863 -28.0622 PRESSAVG: 836800 -6.03862 -31.5183 -8.92401 -31.5183 37.1162 14.1465 -8.92403 14.1466 -8.4896 GPRESSAVG: 836800 -6.46754 -34.2999 -9.49998 -30.6724 37.5246 16.1841 -7.75183 12.0113 -8.96956 TIMING: 836800 CPU: 2632.79, 0.00316251/step Wall: 2632.79, 0.00316251/step, 3.65726 hours remaining, 234.500000 MB of memory in use. ENERGY: 836800 3908.8334 20514.1758 14418.9755 261.1632 -203332.4387 2637.5177 0.0000 0.0000 51674.7087 -109917.0644 296.9753 -161591.7731 -109547.5466 298.4115 15.0269 41.5498 759509.4109 7.5293 7.3625 PRESSURE: 837000 -213.509 -30.7806 -1.12123 -30.7807 -80.0293 -171.989 -1.12168 -171.987 84.6917 GPRESSURE: 837000 -292.11 31.457 2.43636 -60.335 -2.96226 -112.497 6.7876 -150.855 173.07 PRESSAVG: 837000 46.0152 -55.0771 15.281 -55.0771 -37.1235 32.4322 15.2811 32.4322 8.42161 GPRESSAVG: 837000 43.3181 -53.0051 18.2792 -56.043 -36.1674 31.0037 13.39 32.4491 10.1343 TIMING: 837000 CPU: 2633.43, 0.00318375/step Wall: 2633.43, 0.00318375/step, 3.68165 hours remaining, 234.500000 MB of memory in use. ENERGY: 837000 3958.1518 20564.4824 14327.6916 250.8669 -203024.7587 2214.1631 0.0000 0.0000 51833.6095 -109875.7934 297.8885 -161709.4029 -109517.7784 298.3991 -69.6156 -40.6672 760956.9527 5.7711 5.7617 PRESSURE: 837200 -303.032 -167.757 213.289 -167.757 -146.853 -126.088 213.289 -126.088 283.342 GPRESSURE: 837200 -194.7 -148.816 200.234 -185.765 -262.936 -64.8091 197.881 15.5576 383.13 PRESSAVG: 837200 -11.2333 -21.4134 23.8275 -21.4134 -20.3802 -16.6659 23.8275 -16.6659 26.3364 GPRESSAVG: 837200 -8.95385 -21.257 21.3331 -20.8821 -22.1312 -17.5568 25.1298 -15.5429 25.8286 TIMING: 837200 CPU: 2634.06, 0.00315925/step Wall: 2634.06, 0.00315925/step, 3.65315 hours remaining, 234.500000 MB of memory in use. ENERGY: 837200 3912.7093 20321.0880 14462.0761 240.2139 -203226.4162 2489.8752 0.0000 0.0000 52068.1136 -109732.3400 299.2362 -161800.4536 -109374.1302 298.4166 -55.5142 -24.8354 761129.6771 -1.7591 -1.7522 PRESSURE: 837400 -496.639 -63.8323 -106.181 -63.832 -50.0817 120.746 -106.182 120.746 347.062 GPRESSURE: 837400 -496.911 -85.799 -41.6072 -97.2412 7.33132 201.464 -40.9939 163.164 382.217 PRESSAVG: 837400 -19.0484 -20.2831 -29.5899 -20.2831 18.6374 62.6678 -29.5899 62.6679 -12.0539 GPRESSAVG: 837400 -18.6195 -24.2638 -29.6014 -18.4489 19.5147 64.6885 -28.5145 64.3374 -13.3872 TIMING: 837400 CPU: 2634.7, 0.00316866/step Wall: 2634.7, 0.00316866/step, 3.66386 hours remaining, 234.500000 MB of memory in use. ENERGY: 837400 4014.3976 20474.5522 14447.0435 231.3229 -203664.2170 2740.3938 0.0000 0.0000 51877.4420 -109879.0651 298.1404 -161756.5070 -109510.4615 298.2053 -66.5529 -35.7874 761023.1357 -4.1549 -4.1640 PRESSURE: 837600 -218.193 -5.2426 278.948 -5.24296 -71.9086 -47.0464 278.949 -47.0461 -173.14 GPRESSURE: 837600 -256.023 77.0535 188.765 -4.30137 19.4814 -47.9203 181.805 -46.0956 -121.806 PRESSAVG: 837600 10.9521 26.593 -27.4872 26.593 -2.17686 63.7976 -27.4871 63.7977 0.291907 GPRESSAVG: 837600 9.52899 28.518 -27.1808 24.6446 -1.48337 62.9466 -29.724 61.201 1.65258 TIMING: 837600 CPU: 2635.33, 0.00316819/step Wall: 2635.33, 0.00316819/step, 3.66313 hours remaining, 234.500000 MB of memory in use. ENERGY: 837600 4005.4657 20535.8082 14406.0655 236.3826 -203378.1052 2535.9867 0.0000 0.0000 51819.7189 -109838.6775 297.8086 -161658.3964 -109472.7337 298.8458 -154.4140 -119.4491 761338.0478 3.0224 3.2327 PRESSURE: 837800 59.3073 101.895 -73.1676 101.895 198.203 -310.392 -73.1672 -310.391 35.9208 GPRESSURE: 837800 103.858 2.6179 -66.6841 52.2828 279.325 -370.086 20.8212 -337.316 3.49157 PRESSAVG: 837800 6.1923 48.7816 -43.4125 48.7815 11.9648 20.5263 -43.4125 20.5263 -9.22991 GPRESSAVG: 837800 6.35871 50.5114 -42.8577 47.4968 11.8968 20.6057 -43.4078 20.0163 -9.15208 TIMING: 837800 CPU: 2635.96, 0.00316945/step Wall: 2635.96, 0.00316945/step, 3.66442 hours remaining, 234.500000 MB of memory in use. ENERGY: 837800 3977.1680 20384.8451 14456.4668 248.8843 -203482.9267 2757.9626 0.0000 0.0000 51770.0576 -109887.5425 297.5232 -161657.6000 -109527.7036 298.3152 97.8105 128.8914 761225.0006 2.9757 3.0345 PRESSURE: 838000 -199.237 116.066 -182.037 116.066 56.6602 158.539 -182.037 158.539 293.257 GPRESSURE: 838000 -171.549 68.3755 -200.333 117.839 83.1305 101.856 -179.288 14.6731 314.3 PRESSAVG: 838000 -8.83147 -11.1536 -11.0339 -11.1536 15.445 -11.3629 -11.0339 -11.3629 -6.02823 GPRESSAVG: 838000 -7.8155 -11.819 -11.8736 -10.0144 15.5655 -10.7994 -9.55219 -11.1198 -6.97594 TIMING: 838000 CPU: 2636.59, 0.00314873/step Wall: 2636.59, 0.00314873/step, 3.64028 hours remaining, 234.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 838000 3877.4819 20570.6784 14338.6021 223.5951 -203730.4952 2570.6377 0.0000 0.0000 52207.8560 -109941.6441 300.0393 -162149.5001 -109586.7408 298.5840 50.2266 75.2938 761297.5141 0.1951 0.2580 PRESSURE: 838200 -273.305 224.333 16.5318 224.332 -155.759 -46.6876 16.5313 -46.6865 -9.64663 GPRESSURE: 838200 -265.742 291.958 -6.95793 219.988 -116.561 -48.7221 95.0518 -35.539 49.4376 PRESSAVG: 838200 -9.95824 -37.6824 64.941 -37.6825 39.5634 12.0866 64.941 12.0866 -2.32989 GPRESSAVG: 838200 -9.47794 -40.0389 67.1114 -35.4614 39.5092 11.9478 63.1539 12.416 -2.56278 TIMING: 838200 CPU: 2637.23, 0.00316295/step Wall: 2637.23, 0.00316295/step, 3.65655 hours remaining, 234.500000 MB of memory in use. ENERGY: 838200 3987.4886 20509.0210 14412.8388 230.0473 -202908.3626 2167.2608 0.0000 0.0000 51728.1580 -109873.5482 297.2824 -161601.7062 -109508.3191 298.2897 -146.2369 -110.9555 761004.9823 9.0918 9.1562 PRESSURE: 838400 -177.556 139.829 90.6989 139.829 -125.8 85.7382 90.6981 85.7394 197.634 GPRESSURE: 838400 -108.766 63.0318 -11.9831 177.488 -72.0579 29.0001 167.813 39.4498 179.994 PRESSAVG: 838400 12.8968 -7.02426 10.4229 -7.02425 9.27788 -33.6648 10.4228 -33.6648 27.394 GPRESSAVG: 838400 12.6736 -4.85266 8.78212 -7.62498 8.68236 -35.3249 11.4006 -34.0379 28.2541 TIMING: 838400 CPU: 2637.86, 0.0031625/step Wall: 2637.86, 0.0031625/step, 3.65585 hours remaining, 234.500000 MB of memory in use. ENERGY: 838400 3922.7596 20345.9956 14349.3113 245.8632 -203546.5794 2477.0059 0.0000 0.0000 52278.4671 -109927.1766 300.4451 -162205.6437 -109559.6574 298.4722 -35.2404 -0.2768 760318.9896 16.5229 16.5367 PRESSURE: 838600 -371.006 5.37074 -34.8478 5.37058 -54.4625 105.252 -34.8475 105.251 -296.626 GPRESSURE: 838600 -327.38 -60.6609 -78.6448 -1.02143 6.46322 95.5545 63.1489 240.904 -310.963 PRESSAVG: 838600 -36.1868 -52.9464 -22.1761 -52.9464 24.4799 8.36203 -22.1761 8.36203 -15.7685 GPRESSAVG: 838600 -36.0653 -53.3113 -22.586 -53.519 24.999 10.2316 -22.3813 9.31329 -15.7519 TIMING: 838600 CPU: 2638.49, 0.00316393/step Wall: 2638.49, 0.00316393/step, 3.65732 hours remaining, 234.500000 MB of memory in use. ENERGY: 838600 3991.9696 20569.4697 14378.5831 246.8236 -202893.5702 2167.0812 0.0000 0.0000 51936.4214 -109603.2216 298.4793 -161539.6430 -109249.4209 298.3533 -240.6981 -210.6268 761430.6709 -9.1585 -8.9394 PRESSURE: 838800 47.7774 -230.74 -27.2692 -230.74 -44.9807 -92.0076 -27.2697 -92.007 377.413 GPRESSURE: 838800 101.668 -126.337 -33.1433 -209.534 -88.8343 -89.6204 -56.4243 -87.2338 428.493 PRESSAVG: 838800 7.22894 -30.3673 -8.3775 -30.3673 -27.2858 -21.4082 -8.37757 -21.4083 -7.75386 GPRESSAVG: 838800 7.28579 -31.5239 -7.19449 -31.4004 -27.8084 -21.5496 -8.0126 -21.9998 -7.4941 TIMING: 838800 CPU: 2639.12, 0.00316354/step Wall: 2639.12, 0.00316354/step, 3.65671 hours remaining, 234.500000 MB of memory in use. ENERGY: 838800 3947.5547 20395.1861 14391.1016 244.8986 -203760.0420 3010.3070 0.0000 0.0000 52237.9844 -109533.0096 300.2124 -161770.9940 -109168.8028 299.2242 126.7366 147.1088 760119.9095 -9.2702 -9.3389 PRESSURE: 839000 -105.272 274.828 16.3506 274.827 65.7257 34.3794 16.3504 34.3797 -422.682 GPRESSURE: 839000 5.92463 243.367 35.0195 185.548 32.5872 -58.9423 55.0001 73.0942 -416.566 PRESSAVG: 839000 -30.7475 -12.1525 37.7742 -12.1526 43.2676 -15.7145 37.7742 -15.7144 -3.19408 GPRESSAVG: 839000 -30.6632 -10.979 38.896 -10.3975 43.1529 -16.0964 37.6875 -15.658 -3.80597 TIMING: 839000 CPU: 2639.76, 0.00315993/step Wall: 2639.76, 0.00315993/step, 3.65236 hours remaining, 234.500000 MB of memory in use. ENERGY: 839000 4003.7373 20425.0876 14411.9721 258.9474 -202894.0015 2184.8320 0.0000 0.0000 52152.6387 -109456.7864 299.7219 -161609.4251 -109095.3931 299.0515 -154.0760 -126.0180 759199.5419 3.1087 2.8946 PRESSURE: 839200 -6.32826 65.5542 100.275 65.5541 -15.6389 -92.935 100.275 -92.9364 89.7969 GPRESSURE: 839200 70.739 84.4476 145.551 58.4183 24.2264 -36.5152 135.491 -93.5153 73.9025 PRESSAVG: 839200 6.10121 21.2698 32.877 21.2698 -11.6208 51.8552 32.8771 51.8552 14.0141 GPRESSAVG: 839200 6.64025 17.7967 32.4602 19.7497 -12.5601 52.7773 34.1176 53.1436 14.6691 TIMING: 839200 CPU: 2640.39, 0.00315163/step Wall: 2640.39, 0.00315163/step, 3.64258 hours remaining, 234.500000 MB of memory in use. ENERGY: 839200 3987.6663 20570.8573 14307.6659 243.8423 -203219.7097 2648.0999 0.0000 0.0000 51810.4950 -109651.0828 297.7556 -161461.5779 -109291.9916 298.8233 22.6099 56.2893 760278.9519 2.8315 2.9164 PRESSURE: 839400 60.3802 238.199 121.799 238.198 -41.5217 -48.4537 121.8 -48.455 331.132 GPRESSURE: 839400 29.7471 311.824 103.097 272.932 6.89605 -13.7821 237.844 -154.272 395.351 PRESSAVG: 839400 -5.35355 2.79785 7.17227 2.79787 -6.24541 -35.0535 7.17222 -35.0535 -13.5719 GPRESSAVG: 839400 -5.32761 5.37066 5.87056 5.09075 -3.84933 -35.7504 6.33896 -34.7787 -15.7819 TIMING: 839400 CPU: 2641.02, 0.00315731/step Wall: 2641.02, 0.00315731/step, 3.64897 hours remaining, 234.500000 MB of memory in use. ENERGY: 839400 3945.3362 20443.1477 14382.9816 265.6529 -203247.0950 2715.8753 0.0000 0.0000 51940.4774 -109553.6238 298.5026 -161494.1013 -109187.5871 298.9663 116.6636 143.9979 761573.8597 -8.3903 -8.3196 PRESSURE: 839600 414.534 9.18683 -19.8857 9.18805 111.893 162.059 -19.8869 162.059 306.465 GPRESSURE: 839600 488.27 -49.4066 -50.2232 -16.5365 110.047 120.609 -17.3712 169.468 319.517 PRESSAVG: 839600 39.1683 -9.21739 18.0609 -9.21739 -52.3184 -0.135908 18.061 -0.135803 -0.875268 GPRESSAVG: 839600 40.1058 -9.89919 19.4754 -10.021 -54.1743 1.9958 18.6864 -2.94803 -0.368337 TIMING: 839600 CPU: 2641.65, 0.00316635/step Wall: 2641.65, 0.00316635/step, 3.65925 hours remaining, 234.500000 MB of memory in use. ENERGY: 839600 3963.4616 20427.4022 14408.5197 228.7063 -203389.6042 2756.1295 0.0000 0.0000 52240.0965 -109365.2883 300.2246 -161605.3849 -109005.1572 299.5084 277.6306 305.9446 760547.1669 -4.6751 -4.8123 PRESSURE: 839800 143.82 9.98482 344.368 9.98481 -179.058 28.5248 344.368 28.5235 205.135 GPRESSURE: 839800 168.471 11.7584 302.154 -24.7193 -111.893 76.907 253.85 -37.1605 195.811 PRESSAVG: 839800 10.6047 6.75596 -32.0342 6.75596 -13.4688 -3.35261 -32.0343 -3.35262 -7.73113 GPRESSAVG: 839800 9.10202 6.22983 -32.7888 5.47434 -12.1902 -5.284 -33.0404 -1.97041 -7.12197 TIMING: 839800 CPU: 2642.28, 0.00316493/step Wall: 2642.28, 0.00316493/step, 3.65743 hours remaining, 234.500000 MB of memory in use. ENERGY: 839800 3961.7214 20523.0116 14427.0921 253.9307 -203119.5258 2641.1353 0.0000 0.0000 51940.0116 -109372.6231 298.5000 -161312.6347 -109025.6862 299.8052 56.6323 84.1298 760443.5421 -3.5318 -3.4034 PRESSURE: 840000 -247.03 -3.07128 -168.855 -3.07141 28.9272 174.151 -168.854 174.152 26.6186 GPRESSURE: 840000 -232.771 -31.5299 -166.648 26.1972 130.431 163.222 -88.8163 110.617 -1.36227 PRESSAVG: 840000 -31.6356 -0.846052 -26.8561 -0.846081 48.1549 -18.5648 -26.8561 -18.5648 8.803 GPRESSAVG: 840000 -32.078 1.54205 -27.712 -2.02903 48.7316 -17.4821 -27.2567 -19.1875 9.0071 TIMING: 840000 CPU: 2642.92, 0.00316987/step Wall: 2642.92, 0.00316987/step, 3.66296 hours remaining, 234.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 840000 3875.2056 20540.2519 14437.0002 263.7708 -202810.0326 2128.8747 0.0000 0.0000 52025.5520 -109539.3773 298.9916 -161564.9294 -109178.9013 299.3742 -63.8281 -34.5675 760717.3707 8.4407 8.5536 PRESSURE: 840200 -201.362 -48.8837 -235.065 -48.884 44.7382 97.0916 -235.065 97.093 92.7304 GPRESSURE: 840200 -152.831 -170.814 -303.788 -38.6043 69.6341 162.015 -244.102 9.29809 88.5675 PRESSAVG: 840200 3.93647 24.9569 21.3934 24.957 -18.9906 -29.7329 21.3934 -29.7329 -5.65505 GPRESSAVG: 840200 3.89468 22.9943 22.1207 26.449 -19.2312 -29.4075 22.4487 -29.4675 -5.68571 TIMING: 840200 CPU: 2643.55, 0.00317361/step Wall: 2643.55, 0.00317361/step, 3.66711 hours remaining, 234.500000 MB of memory in use. ENERGY: 840200 3946.9290 20462.0723 14429.4011 237.7199 -202822.9731 2230.1938 0.0000 0.0000 52036.7600 -109479.8971 299.0560 -161516.6570 -109114.5475 299.0838 -21.2979 1.7903 760219.8246 -6.9031 -7.0074 LDB: ============= START OF LOAD BALANCING ============== 2655.95 LDB: ============== END OF LOAD BALANCING =============== 2655.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2655.95 LDB: ============= START OF LOAD BALANCING ============== 2656.27 LDB: Largest compute 7077 load 0.034754 is 17.7% of average load 0.196009 LDB: Average compute 0.004337 is 2.2% of average load 0.196009 LDB: TIME 2656.27 LOAD: AVG 0.196009 MAX 0.217372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.285 MB LDB: TIME 2656.28 LOAD: AVG 0.196009 MAX 0.217372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: TIME 2656.28 LOAD: AVG 0.196009 MAX 0.217372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: ============== END OF LOAD BALANCING =============== 2656.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2656.28 PRESSURE: 840400 68.5822 -18.5582 47.8757 -18.5578 -120.882 -5.66846 47.8761 -5.66896 153.61 GPRESSURE: 840400 128.137 -57.2114 64.9404 -83.8632 -46.6257 29.1318 -64.1563 47.9729 134.405 PRESSAVG: 840400 33.3168 -34.3417 -15.0019 -34.3416 -14.8997 16.0854 -15.0019 16.0854 -6.8884 GPRESSAVG: 840400 34.5164 -34.6644 -15.3241 -34.1674 -15.2036 16.4175 -16.5626 17.5912 -7.13317 TIMING: 840400 CPU: 2644.2, 0.00323044/step Wall: 2644.2, 0.00323044/step, 3.7326 hours remaining, 234.390625 MB of memory in use. ENERGY: 840400 3958.2950 20266.1532 14439.9170 244.0550 -203270.6134 2540.9316 0.0000 0.0000 52031.9683 -109789.2932 299.0284 -161821.2616 -109421.3148 298.8626 33.7700 71.9721 760561.0100 3.8429 4.0599 PRESSURE: 840600 7.05735 -18.6977 -138.545 -18.6981 -213.079 -106.579 -138.545 -106.578 -86.1207 GPRESSURE: 840600 52.8687 25.7574 -171.809 20.5314 -85.825 -129.458 -110.295 -30.2034 -185.366 PRESSAVG: 840600 75.132 -20.1227 6.86839 -20.1227 0.475166 35.9966 6.86837 35.9966 -13.6523 GPRESSAVG: 840600 74.7189 -18.6893 6.12698 -21.6206 0.431703 34.7691 8.47807 37.6485 -13.4765 TIMING: 840600 CPU: 2644.83, 0.00316402/step Wall: 2644.83, 0.00316402/step, 3.65568 hours remaining, 234.632812 MB of memory in use. ENERGY: 840600 4004.2307 20512.8666 14445.6714 233.0906 -203440.1777 2417.2557 0.0000 0.0000 52048.9968 -109778.0660 299.1263 -161827.0627 -109417.0397 299.0892 -97.3806 -72.7740 760486.8801 20.6517 20.5580 PRESSURE: 840800 -267.285 59.0963 -34.9125 59.0961 -40.2392 25.5704 -34.9128 25.5704 -123.543 GPRESSURE: 840800 -224.216 17.2602 -65.8186 51.4672 -94.0212 -33.8289 -106.001 -134.709 -23.4821 PRESSAVG: 840800 -1.37315 10.7252 13.3231 10.7252 51.9284 -34.2474 13.3231 -34.2474 4.93503 GPRESSAVG: 840800 -1.92195 9.97603 14.9623 12.2512 51.0485 -34.6782 10.5574 -37.3315 6.25678 TIMING: 840800 CPU: 2645.46, 0.00315493/step Wall: 2645.46, 0.00315493/step, 3.645 hours remaining, 234.632812 MB of memory in use. ENERGY: 840800 3986.1764 20520.2755 14460.3374 255.8594 -203384.6291 2371.8783 0.0000 0.0000 51834.3526 -109955.7496 297.8927 -161790.1022 -109588.3635 299.0292 -143.6891 -113.9066 761292.9433 18.4968 18.4611 PRESSURE: 841000 -281.447 13.5712 134.418 13.5707 -248.95 94.9995 134.417 94.9984 -142.132 GPRESSURE: 841000 -222.385 54.181 167.515 7.74999 -89.4634 112.109 129.216 98.4858 -264.811 PRESSAVG: 841000 -21.1329 -48.6929 -24.4671 -48.6928 26.4876 21.134 -24.4672 21.134 3.21769 GPRESSAVG: 841000 -19.7436 -47.8662 -26.1248 -48.2451 26.5764 21.9716 -22.2184 21.7336 1.71346 TIMING: 841000 CPU: 2646.1, 0.00315957/step Wall: 2646.1, 0.00315957/step, 3.65019 hours remaining, 234.632812 MB of memory in use. ENERGY: 841000 3972.1164 20405.1101 14413.7031 259.2589 -203449.0571 2464.3659 0.0000 0.0000 51955.8100 -109978.6926 298.5908 -161934.5026 -109615.1809 298.5315 -224.1763 -192.2200 760563.8523 2.8574 2.8488 PRESSURE: 841200 303.5 62.5407 -19.2859 62.5404 344.288 115.106 -19.2855 115.106 -320.795 GPRESSURE: 841200 323.95 153.694 -25.7542 -88.2007 386.261 70.4641 -30.1445 174.9 -306.025 PRESSAVG: 841200 -9.62619 -7.72214 18.4823 -7.72209 66.892 43.8693 18.4823 43.8693 -11.5942 GPRESSAVG: 841200 -12.0479 -5.69972 19.3973 -10.2185 68.2966 44.0315 19.1478 45.6668 -10.6088 TIMING: 841200 CPU: 2646.73, 0.00316183/step Wall: 2646.73, 0.00316183/step, 3.65262 hours remaining, 234.632812 MB of memory in use. ENERGY: 841200 3968.8547 20395.2781 14436.7371 244.1494 -203715.4135 2643.6786 0.0000 0.0000 51782.4347 -110244.2809 297.5944 -162026.7156 -109889.7255 297.9978 108.9979 134.7288 759048.1547 15.2239 15.2133 PRESSURE: 841400 -159.546 -83.1487 -27.453 -83.1494 -266.1 -147.065 -27.4536 -147.065 -418.061 GPRESSURE: 841400 -88.6529 -93.2872 10.6858 -7.86616 -218.267 -186.261 -6.57323 -72.4711 -437.1 PRESSAVG: 841400 -37.9847 10.0169 51.764 10.0169 63.0945 25.5537 51.764 25.5537 -17.6446 GPRESSAVG: 841400 -37.6374 7.69289 50.1138 13.5311 63.2002 25.8911 51.2072 23.4818 -18.4258 TIMING: 841400 CPU: 2647.36, 0.00316836/step Wall: 2647.36, 0.00316836/step, 3.65998 hours remaining, 234.632812 MB of memory in use. ENERGY: 841400 3991.9634 20476.2128 14426.7491 225.8637 -203417.5748 2395.6514 0.0000 0.0000 51858.9263 -110042.2080 298.0340 -161901.1343 -109684.8686 298.0014 -281.2354 -248.0068 760729.6500 2.4884 2.3790 PRESSURE: 841600 -167.465 76.5914 39.6118 76.5917 34.5045 11.6697 39.611 11.6707 -142.451 GPRESSURE: 841600 -4.63601 160.197 9.903 124.773 -103.739 19.2615 73.6743 -13.6294 -85.9029 PRESSAVG: 841600 -2.56617 27.6347 36.6299 27.6347 0.610037 19.4988 36.6299 19.4988 23.5929 GPRESSAVG: 841600 -1.12025 27.7839 37.9898 25.6661 0.491061 19.5597 36.7815 19.6441 22.3241 TIMING: 841600 CPU: 2648, 0.00318021/step Wall: 2648, 0.00318021/step, 3.67349 hours remaining, 234.632812 MB of memory in use. ENERGY: 841600 3967.5401 20561.4847 14397.5115 265.4821 -203170.7330 2279.2491 0.0000 0.0000 51770.2447 -109929.2208 297.5243 -161699.4656 -109568.8033 298.4679 -91.8036 -64.7593 761001.7767 7.2123 7.2317 PRESSURE: 841800 237.308 -101.007 285.086 -101.008 146.826 -193.284 285.086 -193.285 -20.3563 GPRESSURE: 841800 267.114 -87.6445 205.39 -51.3619 193.846 -153.055 186.894 -358.708 -8.96754 PRESSAVG: 841800 46.5679 -62.3291 34.6068 -62.3292 -56.2533 -34.6718 34.6069 -34.6718 -16.6712 GPRESSAVG: 841800 46.6182 -60.6831 33.4897 -62.203 -56.7651 -33.9753 34.3904 -34.8132 -15.6748 TIMING: 841800 CPU: 2648.63, 0.00315295/step Wall: 2648.63, 0.00315295/step, 3.64183 hours remaining, 234.632812 MB of memory in use. ENERGY: 841800 4034.9309 20549.8552 14427.4038 245.0664 -203984.6868 2806.9877 0.0000 0.0000 51791.5774 -110128.8655 297.6469 -161920.4428 -109765.9733 298.7740 121.2592 150.6641 759139.8219 -8.7855 -8.6072 PRESSURE: 842000 -26.6041 -110.494 232.121 -110.495 136.145 184.403 232.121 184.405 456.209 GPRESSURE: 842000 38.4247 -166.919 141.504 -122.352 93.9505 170.248 328.181 149.861 499.212 PRESSAVG: 842000 20.6628 3.73267 -47.7361 3.73263 -18.8517 -37.1716 -47.7361 -37.1716 6.2996 GPRESSAVG: 842000 20.0785 0.987121 -45.6822 3.20008 -18.1273 -37.2009 -49.1286 -38.2084 5.98549 TIMING: 842000 CPU: 2649.26, 0.00316541/step Wall: 2649.26, 0.00316541/step, 3.65605 hours remaining, 234.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 842000 4001.7451 20502.2808 14439.1259 252.0392 -203883.6917 2589.8478 0.0000 0.0000 51844.0740 -110254.5790 297.9486 -162098.6530 -109901.6015 298.1937 188.5834 210.5292 758485.8861 2.7035 2.6456 PRESSURE: 842200 154.345 46.3025 -19.3165 46.3029 119.698 75.6896 -19.3162 75.69 -117.343 GPRESSURE: 842200 244.609 23.687 6.88026 -0.943079 178.254 66.5718 109.647 114.246 -154.119 PRESSAVG: 842200 34.0002 -7.52186 1.0404 -7.52183 -30.1462 24.0265 1.04042 24.0265 -7.47281 GPRESSAVG: 842200 34.1361 -6.78979 0.434696 -9.22266 -30.794 23.1557 2.5062 26.0075 -6.7912 TIMING: 842200 CPU: 2649.89, 0.00316915/step Wall: 2649.89, 0.00316915/step, 3.66019 hours remaining, 234.632812 MB of memory in use. ENERGY: 842200 4030.1364 20326.6559 14410.2835 240.3253 -203543.3889 2400.1788 0.0000 0.0000 51899.0589 -110236.7501 298.2646 -162135.8090 -109871.3410 297.8606 52.2330 89.5811 758642.9075 -1.2062 -1.1497 PRESSURE: 842400 0.522622 -142.597 -9.3065 -142.597 293.212 -123.369 -9.30703 -123.369 76.6884 GPRESSURE: 842400 125.284 -198.684 1.20214 -37.2267 271.195 -77.2897 -2.63428 -295.726 56.5938 PRESSAVG: 842400 -11.7797 -21.3395 -43.4037 -21.3396 18.5238 -7.36462 -43.4037 -7.36462 0.606899 GPRESSAVG: 842400 -10.5574 -22.1167 -43.1604 -19.2207 17.9823 -8.66707 -43.7862 -8.39575 0.36936 TIMING: 842400 CPU: 2650.53, 0.00316337/step Wall: 2650.53, 0.00316337/step, 3.65334 hours remaining, 234.632812 MB of memory in use. ENERGY: 842400 3959.3198 20549.8329 14425.9726 252.7437 -203978.8014 2565.7519 0.0000 0.0000 51903.5533 -110321.6273 298.2904 -162225.1805 -109956.9968 298.0780 123.4744 151.0244 758422.8471 2.4503 2.5981 PRESSURE: 842600 -103.691 92.5745 80.6769 92.5746 -256.595 172.869 80.6774 172.869 49.417 GPRESSURE: 842600 -56.2893 135.216 41.2862 64.0328 -235.045 240.984 91.935 289.917 72.2671 PRESSAVG: 842600 -35.4396 -13.1021 -22.2493 -13.1021 -34.5601 25.0071 -22.2493 25.0072 10.2968 GPRESSAVG: 842600 -35.5233 -10.0078 -22.3288 -13.5088 -34.8753 25.7845 -21.5424 27.0468 10.8098 TIMING: 842600 CPU: 2651.16, 0.00316945/step Wall: 2651.16, 0.00316945/step, 3.66018 hours remaining, 234.632812 MB of memory in use. ENERGY: 842600 3980.1931 20445.9186 14380.2197 252.1652 -203617.5386 2332.9371 0.0000 0.0000 51988.3439 -110237.7610 298.7777 -162226.1049 -109872.9293 298.1042 -103.6230 -73.0223 759645.9372 -19.9010 -19.8629 PRESSURE: 842800 25.6121 178.533 104.95 178.532 194.813 105.061 104.951 105.06 -306 GPRESSURE: 842800 88.8973 66.1787 119.618 126.955 192.005 164.109 109.074 9.33251 -295.099 PRESSAVG: 842800 -49.2647 -25.5386 25.7944 -25.5386 43.4935 38.448 25.7943 38.448 4.13725 GPRESSAVG: 842800 -49.7973 -28.2487 25.3184 -25.7291 43.6512 38.8952 24.4901 38.0341 4.07565 TIMING: 842800 CPU: 2651.79, 0.00313588/step Wall: 2651.79, 0.00313588/step, 3.62125 hours remaining, 234.632812 MB of memory in use. ENERGY: 842800 3995.1684 20365.2977 14368.7008 249.6511 -203900.2568 2706.6854 0.0000 0.0000 52043.5809 -110171.1724 299.0952 -162214.7533 -109802.5886 298.4629 -28.5250 -4.7321 758840.1020 -0.5446 -0.6902 PRESSURE: 843000 -9.8953 -138.77 -196.692 -138.77 235.316 5.50796 -196.692 5.50844 152.472 GPRESSURE: 843000 39.2038 -33.9704 -266.304 -155.443 265.25 35.1342 -100.993 -75.3939 140.282 PRESSAVG: 843000 -19.1129 -38.1503 -8.13232 -38.1503 -7.76907 9.82908 -8.13238 9.82905 3.15711 GPRESSAVG: 843000 -18.8524 -36.3042 -7.61915 -37.6532 -7.23382 9.86298 -7.80098 8.19872 1.94426 TIMING: 843000 CPU: 2652.42, 0.00315426/step Wall: 2652.42, 0.00315426/step, 3.64229 hours remaining, 234.632812 MB of memory in use. ENERGY: 843000 3944.4591 20471.0463 14468.0498 255.1398 -204244.9197 2990.5475 0.0000 0.0000 51866.3344 -110249.3429 298.0765 -162115.6772 -109889.4519 298.1436 125.9642 148.2450 758754.5323 -7.9083 -8.0473 PRESSURE: 843200 -372.628 -31.3995 72.23 -31.399 -224.212 217.999 72.2302 218 -325.374 GPRESSURE: 843200 -348.522 -0.500954 16.0964 -78.4531 -226.351 198.59 146.233 104.332 -259.184 PRESSAVG: 843200 -35.9557 2.38908 -8.87924 2.38913 17.5129 -45.2504 -8.87921 -45.2504 23.0696 GPRESSAVG: 843200 -36.1399 2.80859 -9.18694 0.958249 18.7135 -44.2079 -7.90574 -44.9416 22.2126 TIMING: 843200 CPU: 2653.05, 0.00315463/step Wall: 2653.05, 0.00315463/step, 3.64254 hours remaining, 234.632812 MB of memory in use. ENERGY: 843200 4025.3362 20592.0533 14399.7939 247.9355 -203789.1070 2580.4059 0.0000 0.0000 52016.2937 -109927.2886 298.9384 -161943.5822 -109565.2798 298.6029 -307.4046 -278.0188 759994.2761 1.5423 1.5954 PRESSURE: 843400 70.4968 -46.9612 40.6619 -46.9618 0.0106128 -182.497 40.6615 -182.497 -512.615 GPRESSURE: 843400 48.6911 -94.7479 -56.8069 -55.7757 -31.7856 -147.668 54.8194 -182.762 -394.292 PRESSAVG: 843400 -14.7991 -8.06481 12.4222 -8.06484 43.5475 -8.08228 12.4222 -8.08228 -8.9759 GPRESSAVG: 843400 -14.7208 -8.28965 13.7643 -7.09774 41.6636 -9.76061 10.4492 -7.81863 -7.42408 TIMING: 843400 CPU: 2653.68, 0.00316675/step Wall: 2653.68, 0.00316675/step, 3.65637 hours remaining, 234.632812 MB of memory in use. ENERGY: 843400 4041.6791 20672.5711 14421.2814 256.9569 -203847.0673 2373.5750 0.0000 0.0000 52234.4478 -109846.5560 300.1921 -162081.0038 -109490.0659 299.2782 -147.3691 -125.7954 759176.7306 6.5909 6.5062 PRESSURE: 843600 -159.918 -247.221 -218.851 -247.221 -287.619 -10.7684 -218.851 -10.7679 -326.191 GPRESSURE: 843600 -164.973 -168.526 -255.235 -304.48 -252.846 18.8981 -120.874 19.3346 -284.233 PRESSAVG: 843600 -45.4321 38.3533 16.0327 38.3533 27.8089 -10.218 16.0327 -10.2181 5.10213 GPRESSAVG: 843600 -45.9047 38.5206 15.9389 38.4632 28.7358 -9.90825 16.902 -8.4921 4.36061 TIMING: 843600 CPU: 2654.32, 0.00317761/step Wall: 2654.32, 0.00317761/step, 3.66872 hours remaining, 234.632812 MB of memory in use. ENERGY: 843600 4082.8024 20842.1244 14380.4359 254.9429 -203566.3158 2367.0843 0.0000 0.0000 51724.2870 -109914.6390 297.2602 -161638.9259 -109560.6009 299.4246 -257.9090 -234.0172 760276.5729 -4.1737 -4.2694 PRESSURE: 843800 -99.1173 -168.828 79.9265 -168.828 -163.743 -111.768 79.9264 -111.768 -429.322 GPRESSURE: 843800 -114.432 -132.806 52.3486 -101.751 -174.061 -72.9542 29.1715 -130.714 -331.123 PRESSAVG: 843800 50.1414 15.4205 1.10411 15.4205 -25.6821 0.612008 1.10409 0.611989 24.1726 GPRESSAVG: 843800 49.0006 15.8372 -1.18093 15.377 -24.6878 1.46681 3.74712 -1.21382 24.3199 TIMING: 843800 CPU: 2654.95, 0.00316819/step Wall: 2654.95, 0.00316819/step, 3.65768 hours remaining, 234.632812 MB of memory in use. ENERGY: 843800 4079.6019 20615.8337 14424.2123 246.1946 -203671.0078 2528.1543 0.0000 0.0000 51846.9160 -109930.0952 297.9649 -161777.0111 -109571.6699 299.1557 -230.7271 -206.5387 761213.1590 16.2106 16.2109 PRESSURE: 844000 -55.1988 -220.671 -65.0451 -220.671 159.224 107.602 -65.0451 107.601 499.308 GPRESSURE: 844000 -20.5009 -130.703 -123.411 -259.898 241.529 43.7409 -224.055 126.619 474.231 PRESSAVG: 844000 24.558 -135.7 -21.1323 -135.7 21.5999 14.8124 -21.1324 14.8123 -5.79183 GPRESSAVG: 844000 25.7062 -136.553 -19.3818 -134.704 19.8689 13.7394 -23.622 17.2113 -4.74946 TIMING: 844000 CPU: 2655.59, 0.00316712/step Wall: 2655.59, 0.00316712/step, 3.65626 hours remaining, 234.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 844000 4021.1245 20495.7389 14414.8505 264.7898 -203411.3419 2428.0009 0.0000 0.0000 52037.8209 -109749.0165 299.0621 -161786.8374 -109382.1984 299.3149 201.1108 231.7531 760643.3021 13.4553 13.6085 PRESSURE: 844200 103.192 -232.439 -148.202 -232.439 -39.7023 127.877 -148.202 127.876 340.499 GPRESSURE: 844200 153.602 -79.2133 -170.51 -173.492 11.1514 130.565 -108.58 55.8791 339.429 PRESSAVG: 844200 -13.4657 -58.5524 -12.2127 -58.5524 -32.5831 30.3308 -12.2127 30.3309 12.6786 GPRESSAVG: 844200 -12.9563 -57.4153 -11.8433 -60.1834 -30.2621 31.7566 -12.7415 28.4665 10.1912 TIMING: 844200 CPU: 2656.21, 0.00313186/step Wall: 2656.21, 0.00313186/step, 3.61538 hours remaining, 234.632812 MB of memory in use. ENERGY: 844200 3966.0709 20575.3250 14452.1523 240.5549 -204169.6448 2973.4069 0.0000 0.0000 51982.3610 -109979.7739 298.7433 -161962.1349 -109618.8766 299.1754 134.6631 168.0610 759497.3077 -11.1234 -11.0091 LDB: ============= START OF LOAD BALANCING ============== 2668.61 LDB: ============== END OF LOAD BALANCING =============== 2668.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2668.61 LDB: ============= START OF LOAD BALANCING ============== 2668.93 LDB: Largest compute 7077 load 0.033256 is 17.0% of average load 0.195889 LDB: Average compute 0.004364 is 2.2% of average load 0.195889 LDB: TIME 2668.93 LOAD: AVG 0.195889 MAX 0.216336 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.934 MB LDB: TIME 2668.93 LOAD: AVG 0.195889 MAX 0.216336 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.934 MB LDB: TIME 2668.93 LOAD: AVG 0.195889 MAX 0.216336 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.934 MB LDB: ============== END OF LOAD BALANCING =============== 2668.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2668.94 PRESSURE: 844400 -118.123 -62.3491 300.957 -62.3496 163.745 10.5734 300.957 10.574 519.538 GPRESSURE: 844400 -110.593 -145.677 313.674 -7.43235 218.518 -50.6963 292.989 169.97 543.75 PRESSAVG: 844400 17.8959 -64.5124 16.9039 -64.5124 -17.1107 -20.3076 16.9038 -20.3077 -17.0071 GPRESSAVG: 844400 17.8407 -65.9957 15.0519 -65.3299 -19.3988 -20.0863 19.7064 -21.3344 -14.8809 TIMING: 844400 CPU: 2656.86, 0.00321514/step Wall: 2656.86, 0.00321514/step, 3.71135 hours remaining, 234.972656 MB of memory in use. ENERGY: 844400 4034.5915 20612.9966 14350.7555 249.9492 -204030.6415 2839.6859 0.0000 0.0000 51890.3625 -110052.3003 298.2146 -161942.6628 -109694.7573 298.4641 188.3868 217.2251 760473.0054 -5.4073 -5.4797 PRESSURE: 844600 -84.4693 -142.059 -335.126 -142.058 13.7716 -3.54583 -335.127 -3.54621 -18.3487 GPRESSURE: 844600 4.4137 -137.983 -358.883 -138.001 95.0677 -9.6509 -237.939 23.1002 -91.7602 PRESSAVG: 844600 31.7891 -26.8189 -28.7718 -26.8189 -19.0596 6.85129 -28.7719 6.85137 15.164 GPRESSAVG: 844600 30.1386 -26.0828 -27.2971 -24.753 -18.2217 7.49236 -30.5268 9.11166 16.3517 TIMING: 844600 CPU: 2657.48, 0.00314157/step Wall: 2657.48, 0.00314157/step, 3.62625 hours remaining, 235.175781 MB of memory in use. ENERGY: 844600 3896.1197 20494.5608 14405.6642 231.0438 -203773.8449 2602.3460 0.0000 0.0000 52132.3963 -110011.7141 299.6056 -162144.1103 -109653.2317 298.2720 -29.6821 2.5737 760455.5023 9.2978 9.4229 PRESSURE: 844800 -6.14709 49.7727 232.731 49.7731 -63.8145 159.679 232.731 159.678 79.8651 GPRESSURE: 844800 51.3892 103.447 228.46 164.348 -108.428 141.052 320.93 130.076 138.934 PRESSAVG: 844800 -22.9948 -26.0269 -12.6158 -26.0268 -2.96736 61.5599 -12.6158 61.5599 3.25993 GPRESSAVG: 844800 -22.6553 -29.1221 -14.5633 -26.6935 -2.33504 59.8739 -11.8986 61.4832 1.94686 TIMING: 844800 CPU: 2658.11, 0.00313482/step Wall: 2658.11, 0.00313482/step, 3.61828 hours remaining, 235.175781 MB of memory in use. ENERGY: 844800 3929.6464 20463.9991 14395.5564 253.6648 -203545.1689 2757.7879 0.0000 0.0000 51802.7037 -109941.8107 297.7109 -161744.5144 -109585.7726 298.5635 3.3012 27.2984 761404.4502 -7.5674 -7.6811 PRESSURE: 845000 -214.791 -107.721 89.4733 -107.721 88.4518 -3.66903 89.4733 -3.66881 -95.1308 GPRESSURE: 845000 -72.0485 -168.906 88.8597 -142.666 26.1626 167.139 84.8231 10.3775 -117.51 PRESSAVG: 845000 -43.5961 -7.63716 22.8852 -7.63715 35.6324 14.7778 22.8852 14.7778 -8.14818 GPRESSAVG: 845000 -41.3822 -6.77164 23.7718 -7.99582 33.2508 15.2294 23.6325 15.1506 -8.57927 TIMING: 845000 CPU: 2658.74, 0.00314001/step Wall: 2658.74, 0.00314001/step, 3.62409 hours remaining, 235.175781 MB of memory in use. ENERGY: 845000 3993.4563 20490.2183 14402.2927 245.0176 -203413.6500 2492.4675 0.0000 0.0000 51981.9637 -109808.2339 298.7411 -161790.1976 -109441.4864 298.6743 -73.8234 -54.4653 762000.6367 -5.3706 -5.5702 PRESSURE: 845200 194.441 -20.9215 62.3223 -20.9215 203.582 117.63 62.3216 117.63 89.0913 GPRESSURE: 845200 193.792 28.4091 2.97926 7.3474 273.25 24.7226 113.736 -9.19398 104.44 PRESSAVG: 845200 -32.0451 -49.1323 16.7439 -49.1322 25.3322 -51.8115 16.7438 -51.8115 26.077 GPRESSAVG: 845200 -34.8455 -48.5601 18.7477 -48.8629 27.2791 -51.7934 14.5493 -52.9899 26.6864 TIMING: 845200 CPU: 2659.37, 0.00315945/step Wall: 2659.37, 0.00315945/step, 3.64636 hours remaining, 235.175781 MB of memory in use. ENERGY: 845200 3929.0527 20535.9939 14393.6544 235.2600 -203482.4552 2554.7899 0.0000 0.0000 52415.6771 -109418.0272 301.2336 -161833.7043 -109063.9683 299.0634 162.3714 190.4936 761415.3055 6.4547 6.3734 PRESSURE: 845400 -248.277 -15.7095 11.2471 -15.7102 324.343 41.288 11.2477 41.2885 -272.634 GPRESSURE: 845400 -183.83 -64.2573 34.4559 -60.656 345.481 21.2793 19.2056 42.3598 -284.257 PRESSAVG: 845400 -60.9478 -24.524 -37.705 -24.524 38.2914 44.3458 -37.7051 44.3458 -7.56845 GPRESSAVG: 845400 -59.5091 -23.8364 -39.2541 -25.002 37.183 43.6148 -35.0367 44.6586 -8.08549 TIMING: 845400 CPU: 2660, 0.00316049/step Wall: 2660, 0.00316049/step, 3.64738 hours remaining, 235.175781 MB of memory in use. ENERGY: 845400 4011.9184 20535.9046 14446.0548 232.9832 -203285.5131 2516.4573 0.0000 0.0000 52265.9763 -109276.2185 300.3733 -161542.1948 -108908.1103 299.8469 -65.5226 -40.8687 761492.0095 -10.0750 -10.1372 PRESSURE: 845600 -50.8766 -200.836 501.765 -200.836 218.042 -86.1061 501.764 -86.1065 208.822 GPRESSURE: 845600 17.0495 -55.6438 539.815 -167.531 179.082 -49.2561 295.549 6.96371 258.068 PRESSAVG: 845600 -13.7675 -56.2764 36.2096 -56.2764 13.9649 15.0547 36.2096 15.0547 -8.10825 GPRESSAVG: 845600 -14.0404 -55.4069 36.6 -55.4596 14.2231 15.2177 35.0795 15.3368 -8.34709 TIMING: 845600 CPU: 2660.63, 0.00315864/step Wall: 2660.63, 0.00315864/step, 3.64507 hours remaining, 235.175781 MB of memory in use. ENERGY: 845600 3971.3469 20518.0793 14416.2993 243.5638 -203806.2322 2911.2013 0.0000 0.0000 52182.5212 -109563.2204 299.8937 -161745.7417 -109193.1412 299.9754 125.3293 151.4000 759993.8388 -2.6369 -2.7215 PRESSURE: 845800 -372.368 77.9164 26.3404 77.9163 -8.95596 331.789 26.3399 331.789 -159.027 GPRESSURE: 845800 -283.343 29.9614 59.9715 114.011 -14.0826 272.946 -13.0756 304.058 -150.955 PRESSAVG: 845800 -56.9079 -31.8401 27.7832 -31.8401 31.6821 60.2143 27.7832 60.2143 9.4613 GPRESSAVG: 845800 -57.0091 -32.9063 26.2212 -31.8896 31.7472 60.453 27.536 59.1492 9.3144 TIMING: 845800 CPU: 2661.27, 0.00316969/step Wall: 2661.27, 0.00316969/step, 3.65764 hours remaining, 235.175781 MB of memory in use. ENERGY: 845800 3974.9207 20358.9253 14462.5927 252.4876 -203421.9551 2563.3758 0.0000 0.0000 52248.9819 -109560.6711 300.2756 -161809.6530 -109193.9546 298.9765 -180.1169 -149.4601 760420.3700 -5.2548 -5.3158 PRESSURE: 846000 -105.671 150.859 111.229 150.859 -211.216 89.8044 111.229 89.8054 165.188 GPRESSURE: 846000 -78.6629 82.6562 85.793 22.292 -114.595 43.1453 -32.8519 137.79 127.036 PRESSAVG: 846000 -45.441 -0.173462 -13.7289 -0.173471 7.44924 21.2313 -13.7288 21.2312 -3.01629 GPRESSAVG: 846000 -46.1079 -1.34888 -13.4727 -0.611668 7.8747 20.6665 -13.5355 23.4502 -3.11031 TIMING: 846000 CPU: 2661.9, 0.00315661/step Wall: 2661.9, 0.00315661/step, 3.64238 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 846000 3992.3599 20282.8200 14444.0197 267.3383 -203485.4703 2512.8517 0.0000 0.0000 52366.4130 -109619.6678 300.9505 -161986.0808 -109254.1502 299.3400 -50.5664 -22.0740 760442.9772 -13.6693 -13.7812 PRESSURE: 846200 11.9349 -217.542 -234.853 -217.542 -32.9086 41.37 -234.853 41.3696 152.27 GPRESSURE: 846200 51.9575 -84.6652 -155.641 -192.448 14.587 112.618 -240.622 98.1674 147.367 PRESSAVG: 846200 -34.9372 -63.2734 -0.322581 -63.2734 54.7974 32.5897 -0.322606 32.5896 -6.16098 GPRESSAVG: 846200 -34.6754 -62.532 1.08452 -63.414 53.9953 32.8983 -0.974558 31.8238 -5.59815 TIMING: 846200 CPU: 2662.53, 0.00314564/step Wall: 2662.53, 0.00314564/step, 3.62954 hours remaining, 235.175781 MB of memory in use. ENERGY: 846200 3971.0063 20333.7416 14441.8733 263.1855 -203353.9154 2394.0946 0.0000 0.0000 52242.9670 -109707.0471 300.2410 -161950.0141 -109345.4767 299.4214 43.7655 71.3037 759031.2362 4.5664 4.5739 PRESSURE: 846400 -138.028 134.633 -18.6368 134.634 -277.919 108.459 -18.6368 108.459 195.94 GPRESSURE: 846400 -75.439 160.955 -44.8062 166.785 -214.982 136.741 -105.965 137.244 164.757 PRESSAVG: 846400 -11.3237 -35.3569 7.14252 -35.3569 13.454 27.7273 7.14251 27.7273 -9.46664 GPRESSAVG: 846400 -10.6134 -35.7832 6.55829 -35.0942 13.7041 27.025 7.97619 27.2121 -10.2991 TIMING: 846400 CPU: 2663.16, 0.00315816/step Wall: 2663.16, 0.00315816/step, 3.64382 hours remaining, 235.175781 MB of memory in use. ENERGY: 846400 4104.5133 20405.5939 14459.9372 252.0993 -203385.1807 2510.4549 0.0000 0.0000 52022.0177 -109630.5645 298.9713 -161652.5822 -109272.0565 299.1087 -73.3353 -41.8878 761475.3062 -2.4454 -2.4028 PRESSURE: 846600 217.754 122.683 -2.32338 122.682 196.322 -81.0053 -2.32416 -81.0056 -355.968 GPRESSURE: 846600 169.976 225.263 -3.07719 89.5361 267.913 -131.926 -117.93 -78.6331 -285.726 PRESSAVG: 846600 14.4958 -11.2671 -46.0108 -11.2671 1.01183 13.6201 -46.0108 13.6201 6.58405 GPRESSAVG: 846600 15.1061 -9.54716 -45.6921 -10.5458 0.00996689 15.591 -47.204 12.9406 7.06879 TIMING: 846600 CPU: 2663.79, 0.00314078/step Wall: 2663.79, 0.00314078/step, 3.62359 hours remaining, 235.175781 MB of memory in use. ENERGY: 846600 4075.6476 20403.5663 14393.3071 256.4093 -203534.9870 2536.1289 0.0000 0.0000 52470.2138 -109399.7140 301.5470 -161869.9279 -109029.7938 299.6677 19.3695 50.7210 759423.7208 7.3639 7.3949 PRESSURE: 846800 128.988 -191.659 85.8137 -191.659 -300.502 105.451 85.8146 105.451 111.323 GPRESSURE: 846800 158.631 -231.374 75.4363 -157.245 -194.843 68.593 -45.5555 129.33 53.0804 PRESSAVG: 846800 -4.02961 -21.6132 -78.3974 -21.6132 4.30134 4.55798 -78.3974 4.55799 15.395 GPRESSAVG: 846800 -4.66195 -23.1849 -78.6929 -22.3953 5.11462 4.28068 -77.3823 4.45467 14.6521 TIMING: 846800 CPU: 2664.42, 0.00314597/step Wall: 2664.42, 0.00314597/step, 3.6294 hours remaining, 235.175781 MB of memory in use. ENERGY: 846800 3984.3301 20380.5689 14477.6000 258.0904 -203495.5866 2826.7486 0.0000 0.0000 51990.2779 -109577.9706 298.7888 -161568.2485 -109209.5331 299.1343 -20.0640 5.6230 762466.2974 5.2223 5.0349 PRESSURE: 847000 -375.319 100.146 -150.891 100.145 -308.874 -9.41078 -150.89 -9.40963 -217.991 GPRESSURE: 847000 -274.954 119.034 -76.4688 59.7839 -319.684 18.8656 -108.268 -46.8769 -219.993 PRESSAVG: 847000 1.00992 -22.1799 -61.33 -22.1799 14.0088 49.074 -61.3299 49.074 -4.96736 GPRESSAVG: 847000 0.455216 -23.3656 -60.7435 -20.8075 14.2392 49.1212 -61.0906 48.0895 -4.4265 TIMING: 847000 CPU: 2665.05, 0.00314379/step Wall: 2665.05, 0.00314379/step, 3.62671 hours remaining, 235.175781 MB of memory in use. ENERGY: 847000 4080.0526 20481.9622 14373.3327 227.4257 -203269.3244 2459.5050 0.0000 0.0000 52305.8657 -109341.1807 300.6025 -161647.0463 -108979.0522 299.9559 -300.7280 -271.5436 761633.5995 3.3504 3.4226 PRESSURE: 847200 -37.2452 -112.525 68.662 -112.525 73.9292 -243.856 68.6621 -243.855 -76.2881 GPRESSURE: 847200 -8.75238 -183.049 44.6359 -36.7697 88.9806 -254.293 230.066 -269.863 -31.337 PRESSAVG: 847200 -0.262711 -22.6581 -38.2354 -22.6582 9.75294 -14.3866 -38.2353 -14.3866 -26.1367 GPRESSAVG: 847200 -0.611109 -21.292 -38.3208 -22.0656 9.49703 -15.1387 -36.1568 -12.5703 -25.6168 TIMING: 847200 CPU: 2665.68, 0.00315418/step Wall: 2665.68, 0.00315418/step, 3.63852 hours remaining, 235.175781 MB of memory in use. ENERGY: 847200 3937.6367 20506.5410 14421.3991 240.1775 -203275.3429 2471.3151 0.0000 0.0000 52149.3337 -109548.9398 299.7029 -161698.2735 -109187.9412 299.8371 -13.2014 16.2971 761708.6960 -5.5488 -5.5770 PRESSURE: 847400 32.7407 19.9017 138.716 19.9014 68.8943 50.1801 138.717 50.1808 -136.396 GPRESSURE: 847400 48.4155 43.887 99.5096 7.12581 131.424 53.3961 -0.181826 -64.2726 -127.01 PRESSAVG: 847400 9.18275 -21.3482 -36.2681 -21.3482 6.93555 -48.3784 -36.2681 -48.3784 6.74954 GPRESSAVG: 847400 9.41066 -22.0587 -36.6264 -23.2215 7.1496 -48.0663 -38.6507 -48.2263 5.95845 TIMING: 847400 CPU: 2666.31, 0.00315334/step Wall: 2666.31, 0.00315334/step, 3.63738 hours remaining, 235.175781 MB of memory in use. ENERGY: 847400 4076.1502 20333.8527 14458.0807 244.3938 -203097.8314 2425.1157 0.0000 0.0000 51785.5022 -109774.7362 297.6120 -161560.2384 -109413.3357 299.0560 -11.5871 17.6101 761617.3203 7.6226 7.5062 PRESSURE: 847600 -114.63 -80.4921 105.142 -80.4915 -416.825 45.7815 105.142 45.7801 -38.7477 GPRESSURE: 847600 -66.1652 -132.229 44.5458 64.3331 -337.115 1.43241 344.442 -25.0919 -94.0568 PRESSAVG: 847600 53.4604 -61.1342 -30.7067 -61.1341 -34.6952 -5.42211 -30.7067 -5.42212 -0.142171 GPRESSAVG: 847600 52.5449 -61.2323 -31.6269 -62.0296 -34.0155 -5.46034 -28.8399 -4.92107 -0.56275 TIMING: 847600 CPU: 2666.93, 0.00312704/step Wall: 2666.93, 0.00312704/step, 3.60687 hours remaining, 235.175781 MB of memory in use. ENERGY: 847600 3949.4994 20537.8289 14425.2691 229.9439 -203355.6665 2357.0698 0.0000 0.0000 51936.1815 -109919.8738 298.4779 -161856.0553 -109554.1689 298.5902 -190.0676 -165.7789 760263.4040 6.2077 5.9889 PRESSURE: 847800 -379.245 -160.103 -74.5194 -160.103 -5.0558 188.905 -74.5188 188.906 -184.581 GPRESSURE: 847800 -329.197 -121.052 -43.1726 -81.0162 -19.4903 187.108 28.163 -17.3892 -139.609 PRESSAVG: 847800 3.29339 -51.9719 -26.8795 -51.9719 -13.6899 13.22 -26.8796 13.22 -1.98194 GPRESSAVG: 847800 2.48569 -52.1098 -24.9629 -52.1495 -13.801 13.7813 -27.7222 14.6204 -0.872771 TIMING: 847800 CPU: 2667.56, 0.00315372/step Wall: 2667.56, 0.00315372/step, 3.63747 hours remaining, 235.175781 MB of memory in use. ENERGY: 847800 4006.5644 20312.5588 14408.9212 238.7613 -203536.3743 2440.4625 0.0000 0.0000 51959.7769 -110169.3292 298.6136 -162129.1061 -109803.4309 298.6141 -189.6274 -162.7652 760479.8899 -4.1261 -4.0627 PRESSURE: 848000 -214.115 72.1867 -37.9676 72.1863 -71.6701 -224.551 -37.9672 -224.552 335.045 GPRESSURE: 848000 -107.341 112.172 -107.638 84.3036 -51.7081 -193.764 2.47198 -202.842 303.363 PRESSAVG: 848000 33.8886 -43.0116 -13.2643 -43.0116 -12.7654 15.189 -13.2642 15.1889 3.12389 GPRESSAVG: 848000 34.841 -42.2348 -13.2106 -40.5844 -12.5178 14.7098 -14.1017 11.9917 2.39316 TIMING: 848000 CPU: 2668.2, 0.00317391/step Wall: 2668.2, 0.00317391/step, 3.66058 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 848000 3999.0778 20449.0296 14388.6341 249.5552 -203635.7893 2502.6026 0.0000 0.0000 51833.3202 -110213.5697 297.8868 -162046.8899 -109851.3131 298.4468 16.4200 48.1045 758647.4898 8.0824 8.2388 PRESSURE: 848200 81.0167 95.2262 28.7482 95.226 175.597 -107.463 28.7487 -107.464 251.184 GPRESSURE: 848200 85.9138 62.0589 33.996 82.597 229.805 15.0197 119.129 -24.4978 299.19 PRESSAVG: 848200 -20.214 -11.0575 12.7546 -11.0575 96.9024 15.4613 12.7546 15.4613 -14.7308 GPRESSAVG: 848200 -17.4748 -11.0185 11.7258 -13.553 94.8155 15.8136 11.8969 18.1114 -15.0912 TIMING: 848200 CPU: 2668.83, 0.00315865/step Wall: 2668.83, 0.00315865/step, 3.6428 hours remaining, 235.175781 MB of memory in use. ENERGY: 848200 3987.3233 20439.4680 14411.7835 243.6190 -204039.5830 3024.7675 0.0000 0.0000 51851.7639 -110080.8578 297.9928 -161932.6217 -109725.7304 298.1107 169.2659 204.9698 760871.8258 20.6525 20.7498 LDB: ============= START OF LOAD BALANCING ============== 2681.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2681.23 LDB: =============== DONE WITH MIGRATION ================ 2681.23 LDB: ============= START OF LOAD BALANCING ============== 2681.54 LDB: Largest compute 7077 load 0.033744 is 17.2% of average load 0.195849 LDB: Average compute 0.004365 is 2.2% of average load 0.195849 LDB: TIME 2681.55 LOAD: AVG 0.195849 MAX 0.213385 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 2681.55 LOAD: AVG 0.195849 MAX 0.213385 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 2681.55 LOAD: AVG 0.195849 MAX 0.213385 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 2681.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2681.56 Info: useSync: 0 useProxySync: 0 PRESSURE: 848400 -46.1738 -67.6243 -211.639 -67.625 -216.59 -85.1052 -211.64 -85.1059 -160.353 GPRESSURE: 848400 105.516 -17.9907 -207.957 -23.2175 -168.744 -163.458 -261.67 -106.321 -269.902 PRESSAVG: 848400 -11.6485 -8.12444 -8.57386 -8.12446 11.0602 6.73534 -8.57383 6.73539 4.66554 GPRESSAVG: 848400 -13.0659 -7.63363 -9.62377 -7.33496 12.3328 6.8153 -6.92136 3.49564 4.49201 TIMING: 848400 CPU: 2669.47, 0.00321338/step Wall: 2669.47, 0.00321338/step, 3.70574 hours remaining, 234.460938 MB of memory in use. ENERGY: 848400 4038.4004 20504.1357 14419.5243 242.7249 -203527.3152 2572.9940 0.0000 0.0000 51757.8577 -109991.6781 297.4531 -161749.5358 -109639.3253 298.7295 -141.0389 -111.0433 759454.7997 1.3591 1.2530 PRESSURE: 848600 -56.7021 22.9328 81.2766 22.9321 -60.3857 -116.484 81.2763 -116.484 203.762 GPRESSURE: 848600 -29.719 -84.1978 16.9217 105.73 -104.199 -7.24264 123.927 -76.7937 302.96 PRESSAVG: 848600 46.0072 -4.26001 0.506775 -4.26005 -33.4734 -7.56923 0.50675 -7.56921 20.3152 GPRESSAVG: 848600 44.9988 -3.83531 2.24057 -5.95731 -33.2647 -6.53038 -1.2351 -6.4745 21.1304 TIMING: 848600 CPU: 2670.1, 0.00314735/step Wall: 2670.1, 0.00314735/step, 3.62942 hours remaining, 234.664062 MB of memory in use. ENERGY: 848600 3981.1438 20412.1049 14459.3951 252.7625 -203704.9453 2649.5890 0.0000 0.0000 51958.2781 -109991.6719 298.6049 -161949.9500 -109640.2487 298.2944 28.8913 56.3473 760344.8070 10.9497 10.9548 PRESSURE: 848800 311.634 -94.7892 367.222 -94.7889 -48.2769 -44.3069 367.222 -44.3074 540.402 GPRESSURE: 848800 275.615 -163.005 322.582 -56.4625 29.2082 -29.8138 381.877 -36.7822 577.268 PRESSAVG: 848800 -10.1965 -26.7244 43.051 -26.7245 -36.2934 -4.56548 43.051 -4.56548 -4.12616 GPRESSAVG: 848800 -11.0476 -28.0236 42.2388 -25.4067 -36.3287 -6.4347 45.2141 -4.40988 -3.34559 TIMING: 848800 CPU: 2670.74, 0.00316414/step Wall: 2670.74, 0.00316414/step, 3.64861 hours remaining, 234.664062 MB of memory in use. ENERGY: 848800 3979.8135 20364.0641 14385.6635 246.7659 -203776.1441 2952.0995 0.0000 0.0000 51933.2078 -109914.5297 298.4609 -161847.7375 -109546.8336 298.3942 267.9195 294.0303 760943.8324 -16.8720 -16.9073 PRESSURE: 849000 4.62111 44.8597 -38.07 44.8601 -191.807 -179.969 -38.0694 -179.969 -294.262 GPRESSURE: 849000 13.1472 80.8029 -70.6581 103.873 -126.195 -170.954 -127.601 -65.7714 -304.309 PRESSAVG: 849000 -10.9905 -45.0278 12.4966 -45.0278 -54.3669 15.4289 12.4966 15.4289 14.4402 GPRESSAVG: 849000 -9.62395 -45.0632 11.8436 -44.7146 -55.2231 14.4969 8.97984 14.9257 13.5776 TIMING: 849000 CPU: 2671.37, 0.00315448/step Wall: 2671.37, 0.00315449/step, 3.6373 hours remaining, 234.664062 MB of memory in use. ENERGY: 849000 4050.1735 20620.9896 14376.9110 227.2757 -203719.4065 2496.8625 0.0000 0.0000 52072.2066 -109874.9878 299.2597 -161947.1944 -109520.4654 298.5538 -160.4828 -139.1190 762722.7897 -16.9724 -17.0898 PRESSURE: 849200 158.406 -118.834 -97.8591 -118.834 236.838 146.443 -97.8584 146.443 135.233 GPRESSURE: 849200 158.687 -122.702 -180.174 -163.705 353.329 142.929 -176.436 -50.5997 116.963 PRESSAVG: 849200 -0.564245 20.2267 -14.2614 20.2267 1.14192 8.45888 -14.2615 8.45888 -21.5119 GPRESSAVG: 849200 -1.32057 20.6049 -14.9612 19.5724 0.537858 9.31704 -13.0133 8.30757 -20.96 TIMING: 849200 CPU: 2672, 0.00318044/step Wall: 2672, 0.00318044/step, 3.66705 hours remaining, 234.664062 MB of memory in use. ENERGY: 849200 3953.1222 20384.3902 14436.9127 245.4643 -203675.9905 2797.1668 0.0000 0.0000 51929.1550 -109929.7793 298.4376 -161858.9344 -109562.4134 298.3878 176.8255 209.6594 760466.7072 -6.9781 -7.2476 PRESSURE: 849400 267.627 286.029 -96.0909 286.029 -54.9656 76.4993 -96.0907 76.4997 171.013 GPRESSURE: 849400 201.023 304.395 -47.2563 299.545 105.011 42.5897 -70.1279 131.923 159.926 PRESSAVG: 849400 60.0948 11.2894 -29.1006 11.2894 -37.7488 -0.802538 -29.1006 -0.802483 1.96407 GPRESSAVG: 849400 60.5164 11.838 -28.0716 10.7776 -37.0411 -1.14866 -27.819 0.250711 1.03152 TIMING: 849400 CPU: 2672.64, 0.00316396/step Wall: 2672.64, 0.00316396/step, 3.64787 hours remaining, 234.664062 MB of memory in use. ENERGY: 849400 3968.8101 20401.2605 14376.9630 234.0907 -203284.1235 2648.6236 0.0000 0.0000 51752.8800 -109901.4955 297.4245 -161654.3756 -109540.7583 298.6160 127.8913 155.3202 760223.8966 8.1034 8.1689 PRESSURE: 849600 -246.585 -139.596 62.9368 -139.596 156.955 46.4378 62.9366 46.4374 -301.323 GPRESSURE: 849600 -109.756 -179.182 65.3087 -164.798 82.4849 109.091 106.125 83.8145 -293.355 PRESSAVG: 849600 35.5678 -15.4874 -66.2787 -15.4874 1.55785 48.4587 -66.2787 48.4586 -5.22168 GPRESSAVG: 849600 36.3857 -15.4729 -64.6957 -14.2791 -1.04225 49.5262 -69.0395 49.6449 -4.30445 TIMING: 849600 CPU: 2673.27, 0.00314831/step Wall: 2673.27, 0.00314831/step, 3.62965 hours remaining, 234.664062 MB of memory in use. ENERGY: 849600 3972.4165 20575.3425 14405.5487 229.4285 -203495.3788 2588.5050 0.0000 0.0000 51884.1739 -109839.9637 298.1791 -161724.1376 -109485.2179 298.1603 -130.3176 -106.8755 760373.8723 10.6347 10.3463 PRESSURE: 849800 -86.4652 166.912 62.3161 166.911 -37.1689 307.311 62.3159 307.311 -107.501 GPRESSURE: 849800 -66.7905 144.092 -90.485 119.675 -56.69 266.773 -0.700846 90.1584 -39.6369 PRESSAVG: 849800 9.18729 -16.1288 -34.6455 -16.1288 -5.17725 -27.0787 -34.6456 -27.0786 -16.1998 GPRESSAVG: 849800 8.38582 -15.2745 -37.3282 -16.6531 -4.12993 -27.1714 -32.4633 -29.9228 -16.5464 TIMING: 849800 CPU: 2673.9, 0.00316018/step Wall: 2673.9, 0.00316018/step, 3.64316 hours remaining, 234.664062 MB of memory in use. ENERGY: 849800 3981.6853 20421.1155 14541.0840 241.1230 -203767.0546 2634.1012 0.0000 0.0000 52111.8486 -109836.0970 299.4875 -161947.9456 -109477.5860 299.0138 -77.0450 -54.3725 760673.9400 -4.0632 -4.0968 PRESSURE: 850000 -13.1698 83.6215 -164.399 83.6211 -335.894 -78.2554 -164.399 -78.2542 -283.471 GPRESSURE: 850000 -14.8495 198.92 -109.056 -12.8437 -223.015 -57.4314 -117.063 -25.8755 -318.841 PRESSAVG: 850000 23.2596 -35.235 -8.83773 -35.2351 6.22908 41.4277 -8.83777 41.4277 -3.06262 GPRESSAVG: 850000 22.7095 -35.9584 -7.04675 -35.7631 8.44476 42.3789 -9.81278 42.8721 -4.1919 TIMING: 850000 CPU: 2674.53, 0.00316169/step Wall: 2674.53, 0.00316169/step, 3.64472 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 850000 3988.9093 20432.0404 14456.8172 270.8862 -203558.6890 2603.6188 0.0000 0.0000 51851.7486 -109954.6685 297.9927 -161806.4171 -109602.3827 298.5550 -210.8452 -185.5688 763118.1307 8.8087 8.9875 PRESSURE: 850200 -161.298 68.5 -206.472 68.4993 -459.478 204.047 -206.472 204.047 130.423 GPRESSURE: 850200 -97.541 107.708 -225.739 46.3434 -447.511 275.556 -91.4356 100.885 139.855 PRESSAVG: 850200 14.0758 10.725 -8.25561 10.725 8.07973 27.3768 -8.25558 27.3769 15.4733 GPRESSAVG: 850200 15.1203 10.4093 -11.7088 12.5612 7.32207 26.7127 -4.44751 28.8609 14.8873 TIMING: 850200 CPU: 2675.16, 0.00315341/step Wall: 2675.16, 0.00315341/step, 3.635 hours remaining, 234.664062 MB of memory in use. ENERGY: 850200 3940.7055 20441.5053 14434.5993 275.9025 -203237.0860 2412.1827 0.0000 0.0000 51729.4465 -110002.7442 297.2898 -161732.1907 -109641.0506 298.2861 -163.4510 -135.0656 763095.6610 12.5429 12.4432 PRESSURE: 850400 -93.0357 -41.2655 220.174 -41.2647 -109.029 11.6856 220.173 11.685 129.765 GPRESSURE: 850400 60.42 -99.8898 180.276 -25.9223 -163.738 -56.7435 206.26 31.3125 114.955 PRESSAVG: 850400 31.2265 7.77607 -10.2844 7.7761 3.45588 59.1449 -10.2843 59.145 -20.4726 GPRESSAVG: 850400 30.1723 6.88731 -6.82296 6.27173 3.01048 59.5471 -12.7233 56.8469 -18.7278 TIMING: 850400 CPU: 2675.79, 0.0031642/step Wall: 2675.79, 0.0031642/step, 3.64727 hours remaining, 234.664062 MB of memory in use. ENERGY: 850400 3942.6851 20543.2128 14429.6963 254.3087 -203343.3345 2466.3195 0.0000 0.0000 51800.2500 -109906.8622 297.6967 -161707.1122 -109544.0560 298.6679 -24.0999 3.8788 763247.1274 4.7366 4.8183 PRESSURE: 850600 192.549 -144.615 75.307 -144.615 -27.8115 -10.7238 75.3059 -10.7229 -71.2212 GPRESSURE: 850600 256.43 -78.8296 33.9143 -122.026 -56.3157 34.3894 88.0573 40.741 -4.69949 PRESSAVG: 850600 2.67099 -31.8084 30.4016 -31.8084 -38.5321 1.49171 30.4016 1.49165 8.62565 GPRESSAVG: 850600 2.45505 -30.5504 29.0867 -33.2867 -38.8332 1.83996 30.3744 2.37322 8.81731 TIMING: 850600 CPU: 2676.43, 0.00316181/step Wall: 2676.43, 0.00316181/step, 3.64434 hours remaining, 234.664062 MB of memory in use. ENERGY: 850600 4000.9083 20440.4419 14396.9677 241.3147 -203802.8122 2764.6371 0.0000 0.0000 52029.5238 -109929.0186 299.0144 -161958.5424 -109571.8355 298.8657 31.1720 65.1383 762192.7681 -9.0785 -9.1869 PRESSURE: 850800 19.3083 142.364 -196.267 142.365 86.464 -111.188 -196.267 -111.189 156.451 GPRESSURE: 850800 80.6397 135.342 -129.587 165.355 161.55 -30.1345 -161.979 -136.492 95.7727 PRESSAVG: 850800 46.3709 -44.3842 -48.6381 -44.3843 -29.3708 -41.9667 -48.638 -41.9667 -10.2405 GPRESSAVG: 850800 46.2774 -42.9584 -47.8587 -44.7708 -28.7351 -41.8195 -49.2286 -42.1633 -10.8972 TIMING: 850800 CPU: 2677.06, 0.00317143/step Wall: 2677.06, 0.00317143/step, 3.65525 hours remaining, 234.664062 MB of memory in use. ENERGY: 850800 3977.5485 20520.0423 14430.1875 246.9579 -203454.1401 2666.3357 0.0000 0.0000 51941.2924 -109671.7760 298.5073 -161613.0684 -109313.5941 298.7257 87.4079 112.6540 761653.9398 2.2532 2.2150 PRESSURE: 851000 80.3106 -216.63 69.3718 -216.63 -78.5571 -113.155 69.3715 -113.156 366.459 GPRESSURE: 851000 115.126 -185.296 -8.24735 -139.901 -26.7245 -99.0429 81.5677 -111.681 379.976 PRESSAVG: 851000 0.923243 5.10052 -61.668 5.1006 -34.9671 -1.51464 -61.668 -1.5146 11.0337 GPRESSAVG: 851000 0.326617 2.54707 -63.036 5.02823 -34.8645 -0.0440307 -62.4619 -3.92298 11.4421 TIMING: 851000 CPU: 2677.7, 0.00317679/step Wall: 2677.7, 0.00317679/step, 3.66125 hours remaining, 234.664062 MB of memory in use. ENERGY: 851000 3844.6468 20473.2110 14444.4943 252.4594 -203918.8592 2873.5705 0.0000 0.0000 52046.4954 -109983.9819 299.1119 -162030.4773 -109620.5771 298.6894 122.7374 156.1260 761180.7841 -7.6700 -7.6986 PRESSURE: 851200 -309.118 1.60937 31.1882 1.60977 52.4762 -65.1095 31.1883 -65.1111 -495.048 GPRESSURE: 851200 -298.99 82.4914 66.8988 -21.7731 50.1068 -75.6612 12.1326 -44.4621 -415.093 PRESSAVG: 851200 -10.2972 -22.7087 -69.1775 -22.7086 11.4667 -18.7768 -69.1775 -18.7768 18.562 GPRESSAVG: 851200 -10.3188 -21.3627 -65.5155 -21.3449 11.8103 -19.2813 -69.2132 -16.5843 18.6972 TIMING: 851200 CPU: 2678.32, 0.00314875/step Wall: 2678.32, 0.00314875/step, 3.62875 hours remaining, 234.664062 MB of memory in use. ENERGY: 851200 4047.8438 20421.3282 14456.5188 242.5960 -203452.8420 2538.2794 0.0000 0.0000 51911.0683 -109835.2074 298.3336 -161746.2757 -109480.6492 298.6129 -250.5634 -221.3254 762215.8320 6.5772 6.7295 PRESSURE: 851400 132.701 -71.9906 34.5004 -71.991 -207.532 17.3751 34.5006 17.3754 -649.198 GPRESSURE: 851400 136.795 -82.3965 -10.7922 -12.9524 -225.748 -4.11418 80.4052 30.3299 -575.168 PRESSAVG: 851400 14.7479 16.2659 -7.85792 16.266 -10.6637 -42.5556 -7.85796 -42.5555 -19.9818 GPRESSAVG: 851400 14.9536 16.5618 -11.5232 16.7331 -12.586 -44.0388 -5.48616 -40.8619 -19.0607 TIMING: 851400 CPU: 2678.96, 0.00318185/step Wall: 2678.96, 0.00318185/step, 3.66673 hours remaining, 234.664062 MB of memory in use. ENERGY: 851400 3941.5658 20539.7253 14526.9805 269.4630 -203685.4637 2635.3924 0.0000 0.0000 51932.6598 -109839.6768 298.4577 -161772.3366 -109481.8263 298.2750 -241.3431 -221.3736 760886.7150 -5.2992 -5.5644 PRESSURE: 851600 -2.49487 25.3697 -204.976 25.3695 -347.917 117.671 -204.977 117.672 295.81 GPRESSURE: 851600 54.8894 -104.501 -271.071 -23.9869 -327.17 8.68489 -192.03 156.35 289.012 PRESSAVG: 851600 67.9895 -21.7316 30.252 -21.7316 -115.097 -1.59796 30.252 -1.59796 14.1832 GPRESSAVG: 851600 67.7087 -23.1438 31.3498 -21.2144 -114.723 -1.53806 30.6021 -3.39423 14.0651 TIMING: 851600 CPU: 2679.6, 0.00317572/step Wall: 2679.6, 0.00317572/step, 3.65949 hours remaining, 234.664062 MB of memory in use. ENERGY: 851600 3967.1897 20515.9813 14399.8090 232.0174 -203530.9412 2493.2852 0.0000 0.0000 52066.3206 -109856.3381 299.2259 -161922.6586 -109493.4004 298.6923 -18.2005 5.5771 760186.7862 -10.9749 -10.9831 PRESSURE: 851800 -23.819 102.851 -36.0086 102.851 -88.7068 7.35935 -36.008 7.35918 57.5466 GPRESSURE: 851800 -16.0482 6.52398 -90.717 157.288 -7.46997 -4.38354 -74.9295 129.953 59.5959 PRESSAVG: 851800 36.0768 -12.1937 13.9922 -12.1937 6.26087 8.24391 13.9921 8.24394 3.78644 GPRESSAVG: 851800 35.6568 -10.6194 12.8864 -13.3375 7.49963 7.96994 13.0061 9.05347 3.03362 TIMING: 851800 CPU: 2680.23, 0.00317286/step Wall: 2680.23, 0.00317286/step, 3.65602 hours remaining, 234.664062 MB of memory in use. ENERGY: 851800 4034.3677 20370.2576 14447.8747 228.5090 -203222.2084 2363.4522 0.0000 0.0000 52235.0799 -109542.6672 300.1957 -161777.7471 -109182.7838 299.2567 -18.3264 12.0259 759530.6471 15.3747 15.3967 PRESSURE: 852000 81.0848 148.175 235.821 148.177 97.7283 -14.9364 235.822 -14.9368 -257.979 GPRESSURE: 852000 71.0656 161.885 311.362 178.266 103.15 -23.8492 152.135 -56.3519 -139.508 PRESSAVG: 852000 15.0162 13.9468 1.95619 13.9469 -53.1618 1.5016 1.95624 1.5017 26.1936 GPRESSAVG: 852000 14.9216 14.1586 4.72392 14.2898 -52.9746 2.08674 1.65175 2.68887 26.3941 TIMING: 852000 CPU: 2680.86, 0.00315486/step Wall: 2680.86, 0.00315486/step, 3.6351 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 852000 3962.5251 20591.7476 14375.4548 227.5809 -203321.2201 2502.6526 0.0000 0.0000 52124.6246 -109536.6346 299.5609 -161661.2591 -109172.1820 299.4277 -26.3888 11.5693 760425.0341 -3.9840 -3.8863 PRESSURE: 852200 28.5072 14.7592 -144.192 14.7588 163.594 129.88 -144.193 129.88 280.763 GPRESSURE: 852200 102.506 -24.2142 -105.933 -14.669 237.857 110.442 -172.985 131.781 221.812 PRESSAVG: 852200 -22.2582 6.59955 -22.0669 6.59951 20.3959 -35.4932 -22.0668 -35.4931 -10.4401 GPRESSAVG: 852200 -21.1537 6.12167 -22.7808 5.2754 20.8566 -36.086 -22.5235 -36.5963 -11.6415 TIMING: 852200 CPU: 2681.5, 0.00318416/step Wall: 2681.5, 0.00318416/step, 3.66868 hours remaining, 234.664062 MB of memory in use. ENERGY: 852200 3941.6065 20484.4965 14383.6216 252.9709 -203472.5332 2785.0415 0.0000 0.0000 51948.5899 -109676.2063 298.5493 -161624.7962 -109317.5271 299.1534 157.6214 187.3920 759064.8660 -4.1008 -3.9795 LDB: ============= START OF LOAD BALANCING ============== 2693.9 LDB: ============== END OF LOAD BALANCING =============== 2693.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2693.9 LDB: ============= START OF LOAD BALANCING ============== 2694.22 LDB: Largest compute 7057 load 0.033285 is 17.0% of average load 0.195956 LDB: Average compute 0.004332 is 2.2% of average load 0.195956 LDB: TIME 2694.22 LOAD: AVG 0.195956 MAX 0.216034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.23 MB LDB: TIME 2694.22 LOAD: AVG 0.195956 MAX 0.216034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: TIME 2694.22 LOAD: AVG 0.195956 MAX 0.216034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: ============== END OF LOAD BALANCING =============== 2694.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2694.23 PRESSURE: 852400 12.7089 -114.06 -190.512 -114.059 -149.947 -232.223 -190.512 -232.222 -131.369 GPRESSURE: 852400 8.52024 -21.9884 -278.805 -92.0231 -44.1576 -286.167 -149.272 -171.383 -139.745 PRESSAVG: 852400 -7.57114 -36.0813 -35.3112 -36.0813 9.54643 -14.5288 -35.3113 -14.5288 15.6292 GPRESSAVG: 852400 -9.02044 -37.1798 -35.4412 -35.4172 9.33601 -13.9282 -36.1947 -13.7852 17.0377 TIMING: 852400 CPU: 2682.14, 0.00322612/step Wall: 2682.14, 0.00322612/step, 3.71685 hours remaining, 235.742188 MB of memory in use. ENERGY: 852400 3921.9132 20484.5413 14411.0864 251.5484 -203416.1629 2532.9497 0.0000 0.0000 52087.7348 -109726.3893 299.3489 -161814.1241 -109374.9454 298.7993 -89.5357 -58.4609 761713.3040 5.8682 5.7844 PRESSURE: 852600 35.2956 35.1932 66.4479 35.1926 84.2423 60.1982 66.4483 60.1985 102.612 GPRESSURE: 852600 3.92605 -28.8825 166.614 51.3506 149.679 40.3675 -32.4954 17.0148 161.587 PRESSAVG: 852600 24.2418 -28.6422 -29.0575 -28.6421 -21.7141 49.3504 -29.0575 49.3504 -10.9874 GPRESSAVG: 852600 24.2203 -27.16 -29.9063 -29.0872 -21.0211 48.834 -26.3188 48.1794 -11.5287 TIMING: 852600 CPU: 2682.77, 0.00315209/step Wall: 2682.77, 0.00315209/step, 3.63139 hours remaining, 235.945312 MB of memory in use. ENERGY: 852600 4039.3772 20516.9160 14365.5781 247.8702 -203374.1694 2618.8936 0.0000 0.0000 51914.4550 -109671.0794 298.3531 -161585.5344 -109306.8008 298.7512 74.0499 105.0638 760496.1692 -2.8199 -2.7765 PRESSURE: 852800 -50.5387 -140.871 2.8165 -140.87 264.883 152.896 2.81609 152.896 -303.158 GPRESSURE: 852800 -14.7279 -187.855 -92.2599 -170.276 263.228 193.61 109.54 206.774 -246.452 PRESSAVG: 852800 -9.91584 -57.2614 10.8402 -57.2614 9.43742 -40.3209 10.8401 -40.3209 -5.04913 GPRESSAVG: 852800 -7.44229 -58.5415 11.2675 -57.8895 6.21566 -38.9633 11.523 -39.394 -4.32886 TIMING: 852800 CPU: 2683.41, 0.00317881/step Wall: 2683.41, 0.00317881/step, 3.66199 hours remaining, 235.945312 MB of memory in use. ENERGY: 852800 4035.3805 20553.3141 14400.2190 260.2832 -203699.5052 2734.0777 0.0000 0.0000 52109.1026 -109607.1280 299.4717 -161716.2306 -109254.7384 298.8909 -29.6048 0.6827 761719.5290 -1.8425 -1.8518 PRESSURE: 853000 -10.9284 -218.359 166.737 -218.359 -272.569 -196.329 166.737 -196.329 -34.8227 GPRESSURE: 853000 22.2368 -141.212 207.802 -33.7988 -215.971 -72.5042 156.016 -222.866 -50.0869 PRESSAVG: 853000 -4.53684 -33.8007 29.7536 -33.8008 -41.6055 -6.15978 29.7535 -6.15973 16.9445 GPRESSAVG: 853000 -6.2445 -31.5083 28.2845 -33.2446 -39.1135 -7.53828 29.1361 -4.99247 16.0471 TIMING: 853000 CPU: 2684.04, 0.00315168/step Wall: 2684.04, 0.00315168/step, 3.63056 hours remaining, 235.945312 MB of memory in use. ENERGY: 853000 4046.3427 20392.9896 14415.6586 241.9035 -203035.7037 2370.3501 0.0000 0.0000 51900.9680 -109667.4912 298.2756 -161568.4592 -109308.6518 299.1068 -106.1068 -81.2737 761814.7103 -9.7326 -9.7703 PRESSURE: 853200 -144.499 93.711 -312.912 93.7113 -274.829 33.9724 -312.912 33.9729 -6.33232 GPRESSURE: 853200 -145.41 69.7903 -282.221 187.137 -296.573 40.0557 -286.073 -96.2138 79.6573 PRESSAVG: 853200 23.0356 -13.9162 -5.51263 -13.9161 -35.6611 -7.01545 -5.51262 -7.0155 4.36946 GPRESSAVG: 853200 23.1092 -15.3143 -4.9849 -12.6498 -36.0013 -5.30476 -5.36609 -7.84034 4.56211 TIMING: 853200 CPU: 2684.67, 0.00316293/step Wall: 2684.67, 0.00316293/step, 3.64334 hours remaining, 235.945312 MB of memory in use. ENERGY: 853200 3948.7888 20510.9021 14469.9793 250.3953 -203484.1645 2495.4719 0.0000 0.0000 51803.0022 -110005.6248 297.7126 -161808.6270 -109643.0281 298.3219 -141.8869 -120.7753 762372.7001 -2.7520 -2.7766 PRESSURE: 853400 91.5751 -18.4381 8.96015 -18.4383 -18.5504 -5.8375 8.95922 -5.83759 -354.93 GPRESSURE: 853400 143.182 -7.66471 -29.0788 26.9917 -18.8723 -58.5293 -22.7519 -103.308 -326.764 PRESSAVG: 853400 3.01073 7.38787 -41.6974 7.38791 -26.9873 -22.4456 -41.6975 -22.4456 3.66869 GPRESSAVG: 853400 3.3821 6.00654 -40.8602 9.79251 -28.7703 -24.4147 -43.1856 -22.2081 4.78741 TIMING: 853400 CPU: 2685.31, 0.00317802/step Wall: 2685.31, 0.00317802/step, 3.66055 hours remaining, 235.945312 MB of memory in use. ENERGY: 853400 3997.2601 20490.1836 14453.1284 261.7111 -203397.6407 2317.5319 0.0000 0.0000 52117.9991 -109759.8265 299.5229 -161877.8256 -109392.9762 297.6036 -93.9684 -67.4848 760909.2328 -6.7693 -6.8669 PRESSURE: 853600 -228.093 9.82432 169.268 9.8239 -124.364 -371.193 169.269 -371.191 -36.2576 GPRESSURE: 853600 -149.261 -19.9486 188.189 -32.8434 -123.139 -312.594 90.5645 -315.904 -20.4927 PRESSAVG: 853600 13.8593 7.71359 17.6074 7.71358 -26.0896 -21.0236 17.6074 -21.0235 -27.9993 GPRESSAVG: 853600 13.4359 10.7227 18.9673 3.1201 -24.2971 -20.911 18.0526 -20.5835 -29.4265 TIMING: 853600 CPU: 2685.94, 0.00314919/step Wall: 2685.94, 0.00314919/step, 3.62717 hours remaining, 235.945312 MB of memory in use. ENERGY: 853600 3987.6597 20293.8219 14446.4205 235.2627 -203447.7316 2678.6420 0.0000 0.0000 51866.5695 -109939.3553 298.0779 -161805.9247 -109572.0843 298.0801 -129.5715 -97.6310 762131.7281 -13.4099 -13.4292 PRESSURE: 853800 -220.011 -110.902 89.1654 -110.901 -31.7191 195.94 89.1653 195.94 -340.598 GPRESSURE: 853800 -235.78 106.819 123.278 -111.227 -9.41811 138.186 132.88 83.3821 -261.66 PRESSAVG: 853800 32.5269 46.7701 -37.3492 46.7701 12.3249 -10.6405 -37.3492 -10.6404 12.3734 GPRESSAVG: 853800 34.2681 45.6494 -38.0374 48.3266 10.9387 -9.53511 -39.6993 -10.5215 12.0477 TIMING: 853800 CPU: 2686.57, 0.0031606/step Wall: 2686.57, 0.0031606/step, 3.64013 hours remaining, 235.945312 MB of memory in use. ENERGY: 853800 4065.0108 20355.0664 14490.3762 241.7910 -203651.7366 2809.7293 0.0000 0.0000 51763.9755 -109925.7875 297.4883 -161689.7630 -109575.2515 297.8165 -197.4428 -168.9529 761602.0301 19.0751 19.0848 PRESSURE: 854000 265.896 -64.452 29.0994 -64.4511 192.704 317.089 29.0992 317.089 658.102 GPRESSURE: 854000 246.514 -117.725 -48.1732 -192.516 314.855 277.747 41.0343 197.07 638.126 PRESSAVG: 854000 17.212 -5.44543 -65.6916 -5.4455 -24.7866 16.9117 -65.6916 16.9117 10.9545 GPRESSAVG: 854000 15.1957 -6.08663 -66.6917 -6.8043 -22.951 17.6175 -64.5665 14.666 10.9319 TIMING: 854000 CPU: 2687.2, 0.0031684/step Wall: 2687.2, 0.0031684/step, 3.64894 hours remaining, 235.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 854000 3989.1192 20410.4783 14373.6679 242.6431 -203332.0115 2911.8018 0.0000 0.0000 51805.9991 -109598.3021 297.7298 -161404.3012 -109244.7407 298.2984 372.2342 399.8316 762299.7804 1.1266 1.0589 PRESSURE: 854200 42.5732 148.077 -24.9657 148.076 -162.78 -82.4838 -24.9662 -82.4837 23.9668 GPRESSURE: 854200 1.66809 134.972 -47.0904 93.0237 -73.7334 17.9866 72.4285 9.50526 75.7118 PRESSAVG: 854200 -21.624 -37.8665 -11.7028 -37.8665 -21.9963 52.8751 -11.7028 52.8751 -1.09748 GPRESSAVG: 854200 -21.4201 -37.2267 -10.4857 -37.0646 -23.2785 51.5824 -11.6533 55.0948 0.212699 TIMING: 854200 CPU: 2687.84, 0.00318196/step Wall: 2687.84, 0.00318196/step, 3.66438 hours remaining, 235.945312 MB of memory in use. ENERGY: 854200 3999.9814 20371.1241 14466.8626 258.8799 -202999.6321 2612.8994 0.0000 0.0000 51932.0147 -109357.8699 298.4540 -161289.8846 -108994.9359 298.9632 -32.0800 1.2155 761340.5270 -14.9059 -14.8286 PRESSURE: 854400 -168.681 -109.755 162.131 -109.756 187.748 211.449 162.13 211.451 266.713 GPRESSURE: 854400 -9.21424 76.1009 135.147 -126.753 159.101 264.563 198.286 217.706 210.487 PRESSAVG: 854400 -28.3194 -27.7168 -12.0278 -27.7168 -1.35656 -3.25264 -12.0278 -3.25264 23.6395 GPRESSAVG: 854400 -28.3673 -27.5912 -13.6518 -26.775 -1.42926 -1.5908 -10.3346 -3.90801 23.4379 TIMING: 854400 CPU: 2688.48, 0.00318638/step Wall: 2688.48, 0.00318638/step, 3.6693 hours remaining, 235.945312 MB of memory in use. ENERGY: 854400 3984.5620 20267.3083 14451.3879 253.6654 -203123.5136 2696.5200 0.0000 0.0000 51987.0887 -109482.9813 298.7705 -161470.0700 -109124.6628 299.1345 95.2599 120.1246 760246.5331 -2.0122 -2.1196 PRESSURE: 854600 -137.678 -54.2656 40.2567 -54.2661 296.989 130.038 40.2561 130.039 110.648 GPRESSURE: 854600 -95.1915 80.0657 59.3355 -90.4547 324.272 200.602 -173.193 305.359 126.222 PRESSAVG: 854600 -35.3361 -18.9961 -35.8764 -18.996 51.6439 3.73581 -35.8765 3.73581 26.7887 GPRESSAVG: 854600 -34.911 -20.5899 -36.57 -19.0378 51.9943 3.88338 -36.405 3.66051 25.9162 TIMING: 854600 CPU: 2689.12, 0.00318561/step Wall: 2689.12, 0.00318561/step, 3.66823 hours remaining, 235.945312 MB of memory in use. ENERGY: 854600 3967.6888 20358.4667 14501.4551 241.5940 -203530.3962 2862.3878 0.0000 0.0000 51872.5467 -109726.2572 298.1122 -161598.8039 -109367.7255 298.9082 89.9861 118.4342 759888.1038 14.3655 14.3332 PRESSURE: 854800 -415.998 47.1695 4.73804 47.1703 -166.461 18.3527 4.73782 18.3519 128.393 GPRESSURE: 854800 -301.565 25.0252 45.4097 -3.1027 -111.32 8.20564 29.2973 38.7357 62.3239 PRESSAVG: 854800 -44.6405 26.9861 -27.9563 26.986 -6.46746 21.6818 -27.9562 21.6818 8.89692 GPRESSAVG: 854800 -46.2605 29.4347 -26.795 25.9874 -6.03982 21.3234 -28.4053 21.6696 10.3483 TIMING: 854800 CPU: 2689.74, 0.00313707/step Wall: 2689.74, 0.00313707/step, 3.61216 hours remaining, 235.945312 MB of memory in use. ENERGY: 854800 3962.8085 20343.6954 14528.1886 246.4465 -203590.0443 2640.2135 0.0000 0.0000 52267.9143 -109600.7775 300.3844 -161868.6919 -109238.6426 298.3850 -151.3552 -116.8537 760883.9757 -14.0704 -13.9840 PRESSURE: 855000 -354.328 -292.276 397.252 -292.276 -20.9381 -139.999 397.252 -140 -3.48072 GPRESSURE: 855000 -324.599 -165.51 380.01 -265.132 -31.0248 -182.721 421.704 -45.362 49.1518 PRESSAVG: 855000 -25.7511 23.2764 6.7217 23.2763 12.5826 5.43827 6.72177 5.43822 -4.47798 GPRESSAVG: 855000 -24.4163 22.6897 6.80201 21.3919 12.4159 5.09272 5.36847 7.47355 -5.97652 TIMING: 855000 CPU: 2690.38, 0.00316272/step Wall: 2690.38, 0.00316272/step, 3.64152 hours remaining, 235.945312 MB of memory in use. ENERGY: 855000 3987.2592 20422.3041 14499.5809 235.9951 -203311.1795 2596.9127 0.0000 0.0000 51855.4543 -109713.6732 298.0140 -161569.1275 -109369.1003 298.5951 -126.2490 -102.1572 761511.4551 -5.8821 -5.9923 PRESSURE: 855200 -103.122 -83.0978 -17.1832 -83.0975 244.969 -135.817 -17.1837 -135.817 8.10684 GPRESSURE: 855200 -6.56801 -23.0131 -24.6815 -58.4576 212.206 -140.068 -97.5934 -123.106 24.6507 PRESSAVG: 855200 -1.58902 -17.1945 -21.197 -17.1944 46.6243 11.0511 -21.197 11.0511 -6.22808 GPRESSAVG: 855200 -1.97502 -18.3911 -22.6986 -15.3847 47.6775 11.7205 -18.5863 9.40061 -6.6166 TIMING: 855200 CPU: 2691.01, 0.00317796/step Wall: 2691.01, 0.00317796/step, 3.65889 hours remaining, 235.945312 MB of memory in use. ENERGY: 855200 4023.9570 20529.8219 14446.8111 269.9007 -203955.8470 2976.2800 0.0000 0.0000 52189.8550 -109519.2213 299.9358 -161709.0763 -109159.0975 298.7768 49.9848 76.7630 760221.7570 12.9357 13.0286 PRESSURE: 855400 -10.2393 -74.0039 68.8652 -74.0033 112.687 -97.4697 68.8657 -97.47 -24.6207 GPRESSURE: 855400 16.0137 -102.496 130.17 26.5924 108.242 -84.4941 34.5695 18.8311 25.339 PRESSAVG: 855400 29.6309 -8.59059 28.267 -8.59063 -22.1064 -39.6695 28.2671 -39.6696 11.2926 GPRESSAVG: 855400 29.9449 -7.04209 28.4804 -8.44192 -22.9453 -39.4751 27.8094 -38.4558 11.5326 TIMING: 855400 CPU: 2691.64, 0.00315668/step Wall: 2691.64, 0.00315668/step, 3.63422 hours remaining, 235.945312 MB of memory in use. ENERGY: 855400 3991.9094 20494.2319 14468.6857 252.2084 -203209.6041 2714.5723 0.0000 0.0000 52041.3464 -109246.6500 299.0823 -161287.9964 -108879.0366 299.0310 25.9423 49.8648 762591.9976 6.2724 6.1774 PRESSURE: 855600 -243.714 -63.2376 -0.337296 -63.2374 -279.914 101.821 -0.336776 101.822 -1.39422 GPRESSURE: 855600 -228.58 -172.459 -91.6826 -107.12 -116.404 134.165 -47.7004 150.67 -72.3349 PRESSAVG: 855600 -23.7907 -13.3803 11.7138 -13.3803 -5.40534 -16.8281 11.7138 -16.8281 27.4925 GPRESSAVG: 855600 -23.7329 -12.7393 12.7871 -13.8992 -5.42172 -17.8351 9.35623 -19.5201 27.5321 TIMING: 855600 CPU: 2692.27, 0.00316303/step Wall: 2692.27, 0.00316303/step, 3.64135 hours remaining, 235.945312 MB of memory in use. ENERGY: 855600 3977.6367 20531.3140 14515.1827 234.5908 -202967.8644 2286.6457 0.0000 0.0000 52202.1865 -109220.3081 300.0067 -161422.4946 -108851.1469 299.5318 -175.0073 -139.1063 762353.7544 -0.5679 -0.5408 PRESSURE: 855800 -512.726 0.576435 79.025 0.576659 73.3369 -20.2623 79.0248 -20.2627 -350.862 GPRESSURE: 855800 -361.448 111.544 50.629 30.8763 -21.3875 60.6841 130.222 -64.8594 -319.741 PRESSAVG: 855800 -44.0475 13.9038 -30.2315 13.9038 6.13105 10.943 -30.2316 10.9429 7.13659 GPRESSAVG: 855800 -42.9429 11.7936 -30.6455 15.0515 5.62444 10.3608 -28.5278 12.3193 6.28796 TIMING: 855800 CPU: 2692.91, 0.00317594/step Wall: 2692.91, 0.00317594/step, 3.65603 hours remaining, 235.945312 MB of memory in use. ENERGY: 855800 4019.7725 20518.5398 14395.6373 233.1364 -203002.6718 2444.5795 0.0000 0.0000 52158.2920 -109232.7144 299.7544 -161391.0063 -108861.8994 299.4529 -263.4170 -234.1922 761826.9647 -10.2600 -10.3435 PRESSURE: 856000 -66.3021 -93.342 262.498 -93.3431 -306.556 -77.4439 262.499 -77.4446 -226.272 GPRESSURE: 856000 7.48586 -112.046 180.754 -113.208 -286.14 -47.033 163.133 90.6895 -235.374 PRESSAVG: 856000 38.9751 14.1567 -7.29333 14.1566 -20.8321 -40.3822 -7.29337 -40.3822 -34.1388 GPRESSAVG: 856000 37.8832 14.3315 -7.95873 15.1852 -20.9708 -39.8035 -7.55676 -40.4006 -32.877 TIMING: 856000 CPU: 2693.54, 0.00316688/step Wall: 2693.54, 0.00316688/step, 3.64543 hours remaining, 235.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 856000 3977.6902 20521.1757 14472.9956 238.1268 -203135.4212 2554.1125 0.0000 0.0000 52075.9172 -109295.4034 299.2810 -161371.3205 -108933.5673 299.8626 -199.7104 -171.3426 760427.3377 -5.3319 -5.3215 PRESSURE: 856200 -58.3159 36.0294 -52.2829 36.0289 -120.499 -64.7393 -52.2826 -64.7394 -90.7775 GPRESSURE: 856200 -125.546 90.2797 -29.6136 -53.694 -3.44727 -87.9223 9.2126 -130.92 -72.4074 PRESSAVG: 856200 34.53 -7.45533 -12.358 -7.45533 -22.4499 -17.6062 -12.358 -17.6062 5.03158 GPRESSAVG: 856200 33.6934 -6.34804 -11.1643 -10.735 -20.9792 -16.8805 -12.0394 -16.6758 4.82585 TIMING: 856200 CPU: 2694.18, 0.00316217/step Wall: 2694.18, 0.00316217/step, 3.63983 hours remaining, 235.945312 MB of memory in use. ENERGY: 856200 3965.3135 20515.9376 14465.9526 262.9864 -203100.9173 2436.5512 0.0000 0.0000 52377.9101 -109076.2658 301.0166 -161454.1759 -108718.3406 299.9801 -89.8641 -67.1336 763012.8886 5.7039 5.8467 LDB: ============= START OF LOAD BALANCING ============== 2706.58 LDB: ============== END OF LOAD BALANCING =============== 2706.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2706.58 LDB: ============= START OF LOAD BALANCING ============== 2706.9 LDB: Largest compute 7077 load 0.032958 is 16.8% of average load 0.195845 LDB: Average compute 0.004359 is 2.2% of average load 0.195845 LDB: TIME 2706.9 LOAD: AVG 0.195845 MAX 0.214851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.289 MB LDB: TIME 2706.9 LOAD: AVG 0.195845 MAX 0.214851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.289 MB LDB: TIME 2706.9 LOAD: AVG 0.195845 MAX 0.214851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.289 MB LDB: ============== END OF LOAD BALANCING =============== 2706.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2706.91 PRESSURE: 856400 -120.645 -269.825 268.959 -269.825 -232.948 -71.0341 268.959 -71.0345 562.04 GPRESSURE: 856400 -31.123 -236.661 200.098 -171.455 -157.229 -77.4289 157.467 -229.51 519.359 PRESSAVG: 856400 50.863 -39.0111 -24.7159 -39.0111 -32.2218 -35.1172 -24.7159 -35.1172 14.4985 GPRESSAVG: 856400 51.7746 -39.9852 -23.7171 -37.4626 -32.0795 -36.5059 -25.978 -33.6448 13.8521 TIMING: 856400 CPU: 2694.83, 0.00324947/step Wall: 2694.83, 0.00324947/step, 3.74014 hours remaining, 234.527344 MB of memory in use. ENERGY: 856400 4009.7722 20434.9043 14432.5848 248.9237 -203396.9609 2930.5036 0.0000 0.0000 52073.6615 -109266.6107 299.2680 -161340.2722 -108904.2237 299.7456 69.4822 110.3358 762296.3649 11.0466 11.1824 PRESSURE: 856600 279.121 -18.4502 73.2568 -18.4505 -8.19092 -48.2076 73.2561 -48.2077 200.898 GPRESSURE: 856600 307.344 -56.326 113.41 -15.3667 17.6688 -52.0612 143.936 27.3322 210.58 PRESSAVG: 856600 50.0941 19.5697 3.0918 19.5697 -3.24789 -37.9821 3.09182 -37.9821 12.0875 GPRESSAVG: 856600 49.0597 19.5242 2.20948 18.9923 -4.84096 -38.5344 3.96696 -38.828 13.3962 TIMING: 856600 CPU: 2695.46, 0.0031661/step Wall: 2695.46, 0.0031661/step, 3.644 hours remaining, 234.769531 MB of memory in use. ENERGY: 856600 4026.4549 20642.8039 14487.6194 233.9953 -203499.5808 2915.1708 0.0000 0.0000 51956.3272 -109237.2093 298.5937 -161193.5365 -108892.3263 299.3170 157.2759 178.5312 762446.5242 19.6446 19.2050 PRESSURE: 856800 13.6143 87.1459 -175.647 87.1455 -218.129 -87.3941 -175.647 -87.3948 -53.4261 GPRESSURE: 856800 79.1723 84.3042 -244.572 -14.7188 -203.643 -117.39 20.1458 -157.133 -70.1399 PRESSAVG: 856800 42.7434 -5.62161 -1.39392 -5.62157 10.0615 -26.2108 -1.39391 -26.2108 1.12294 GPRESSAVG: 856800 42.6707 -6.71049 -2.98125 -5.07094 10.9404 -24.9238 2.43275 -26.7714 -0.381408 TIMING: 856800 CPU: 2696.09, 0.00315261/step Wall: 2696.09, 0.00315261/step, 3.62831 hours remaining, 235.011719 MB of memory in use. ENERGY: 856800 3980.6434 20633.2586 14484.9372 240.7605 -203041.6385 2320.7684 0.0000 0.0000 52051.8928 -109329.3776 299.1429 -161381.2704 -108968.5069 299.8077 -85.9802 -64.8703 762460.4501 17.9759 17.7433 PRESSURE: 857000 335.554 -46.2538 173.104 -46.2529 177.34 -6.27324 173.104 -6.27407 380.417 GPRESSURE: 857000 301.151 -49.8191 245.38 20.2584 175.797 -44.5917 88.502 -94.7898 468.342 PRESSAVG: 857000 -26.4527 7.81717 -26.9577 7.81716 -2.60609 -77.9168 -26.9577 -77.9168 -25.9347 GPRESSAVG: 857000 -26.2745 8.88896 -24.7877 6.559 -2.78073 -79.1168 -32.6796 -78.1777 -25.2971 TIMING: 857000 CPU: 2696.72, 0.00314744/step Wall: 2696.72, 0.00314744/step, 3.62218 hours remaining, 235.214844 MB of memory in use. ENERGY: 857000 3920.0612 20643.4042 14394.6003 249.1558 -203450.7349 2862.6625 0.0000 0.0000 52211.0451 -109169.8057 300.0576 -161380.8508 -108818.1355 300.1875 297.7704 315.0963 761257.0581 -18.3312 -18.1174 PRESSURE: 857200 -25.8943 9.87056 -159.263 9.87 -28.4122 260.743 -159.262 260.743 266.483 GPRESSURE: 857200 73.7435 3.19538 -199.092 -65.8176 -48.4141 223.632 -95.3476 135.626 241.476 PRESSAVG: 857200 42.9239 -56.4255 23.4393 -56.4254 -68.9185 -8.97348 23.4393 -8.97356 -5.80479 GPRESSAVG: 857200 42.9431 -56.3285 22.27 -55.5171 -69.1869 -7.50559 25.602 -11.7028 -5.51012 TIMING: 857200 CPU: 2697.35, 0.00315074/step Wall: 2697.35, 0.00315074/step, 3.6258 hours remaining, 235.214844 MB of memory in use. ENERGY: 857200 4031.6879 20534.2475 14496.6217 264.1798 -203541.3788 2944.4651 0.0000 0.0000 52034.8533 -109235.3235 299.0450 -161270.1768 -108870.9178 300.0639 70.7256 88.9352 761462.2447 -10.5998 -10.5847 PRESSURE: 857400 -21.9259 289.993 125.983 289.992 -46.4854 -41.0045 125.982 -41.0033 -18.7086 GPRESSURE: 857400 -36.503 177.85 132.734 383.553 -55.9273 -23.6457 155.702 -80.8438 91.8627 PRESSAVG: 857400 -3.57679 13.8273 -1.46013 13.8273 18.2132 9.167 -1.46011 9.16703 -0.823895 GPRESSAVG: 857400 -3.17134 12.192 -3.14982 14.7767 17.4618 9.46296 -0.481078 10.6818 -0.723501 TIMING: 857400 CPU: 2697.98, 0.00316508/step Wall: 2697.98, 0.00316508/step, 3.64213 hours remaining, 235.214844 MB of memory in use. ENERGY: 857400 3984.1721 20462.9232 14494.8166 238.2779 -203332.9273 2598.0181 0.0000 0.0000 52177.3285 -109377.3910 299.8638 -161554.7195 -109010.1183 299.6551 -29.0400 -0.1892 760802.2713 4.6042 4.5223 PRESSURE: 857600 -83.2913 -197.337 124.16 -197.337 -271.37 8.0813 124.159 8.08115 -270.608 GPRESSURE: 857600 8.23296 -204.733 115.358 -140.464 -181.469 -28.2273 136.642 131.735 -359.296 PRESSAVG: 857600 12.0714 14.2717 -0.748159 14.2716 -12.6891 -72.2873 -0.748223 -72.2874 -12.9775 GPRESSAVG: 857600 10.6348 14.9542 1.03855 14.4479 -11.8622 -74.9388 -2.1624 -71.0451 -12.825 TIMING: 857600 CPU: 2698.62, 0.00317181/step Wall: 2698.62, 0.00317181/step, 3.6497 hours remaining, 235.214844 MB of memory in use. ENERGY: 857600 4001.3394 20445.7598 14442.7029 254.6898 -202988.6788 2210.2970 0.0000 0.0000 52169.5514 -109464.3386 299.8191 -161633.8899 -109101.5514 299.4547 -208.4231 -177.5105 760488.6706 -4.5317 -4.6841 PRESSURE: 857800 51.2012 8.52738 68.1068 8.528 -77.2948 -62.2006 68.1064 -62.1999 -7.37687 GPRESSURE: 857800 59.3384 0.109348 107.244 67.6628 3.985 -120.612 -70.4952 -45.654 -0.562785 PRESSAVG: 857800 82.5869 32.4333 7.06533 32.4333 -31.1585 -57.5088 7.0653 -57.5088 13.9829 GPRESSAVG: 857800 82.3664 33.812 6.97639 31.6347 -30.7643 -55.4122 4.93032 -57.4026 14.157 TIMING: 857800 CPU: 2699.25, 0.003167/step Wall: 2699.25, 0.003167/step, 3.64399 hours remaining, 235.214844 MB of memory in use. ENERGY: 857800 3986.4060 20575.6741 14477.3791 254.2901 -203320.1011 2629.9639 0.0000 0.0000 52104.6966 -109291.6913 299.4464 -161396.3879 -108927.0842 299.0773 -11.1568 20.9202 761752.8583 21.8038 21.9197 PRESSURE: 858000 -378.43 -166.512 -81.7093 -166.511 92.4387 84.398 -81.7102 84.3969 238.942 GPRESSURE: 858000 -302.016 -304.318 -72.974 -76.9008 227.014 123.352 -42.1279 124.507 126.477 PRESSAVG: 858000 -6.12227 -32.9374 13.9534 -32.9374 2.47324 -17.3763 13.9534 -17.3763 23.6577 GPRESSAVG: 858000 -5.73218 -35.3672 15.6239 -31.7874 2.33356 -16.2521 15.5655 -20.6388 23.331 TIMING: 858000 CPU: 2699.88, 0.00316166/step Wall: 2699.88, 0.00316166/step, 3.63766 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 858000 3959.9283 20473.2944 14365.1943 237.8212 -203258.4609 2709.3493 0.0000 0.0000 52222.1487 -109290.7247 300.1214 -161512.8735 -108930.9146 299.3566 -15.6830 17.1581 761344.0635 6.6695 6.6441 PRESSURE: 858200 -14.0227 116.649 -37.4598 116.649 438.112 109.344 -37.459 109.344 213.756 GPRESSURE: 858200 11.5711 187 24.3371 124.669 503.438 105.075 -45.8671 282.621 197.139 PRESSAVG: 858200 -3.6091 -7.05504 -8.04076 -7.05509 -4.1789 20.7959 -8.0408 20.7959 0.900673 GPRESSAVG: 858200 -3.19027 -6.15211 -9.67842 -8.09554 -4.84632 17.8445 -7.54773 22.6346 1.05922 TIMING: 858200 CPU: 2700.51, 0.00315208/step Wall: 2700.51, 0.00315208/step, 3.62647 hours remaining, 235.214844 MB of memory in use. ENERGY: 858200 3990.0660 20549.3095 14359.2671 259.0869 -203498.8546 2654.5586 0.0000 0.0000 52294.0845 -109392.4821 300.5348 -161686.5666 -109018.1383 299.6087 212.6150 237.3828 760533.9678 -2.2958 -2.3258 PRESSURE: 858400 -90.5713 -202.98 -57.6317 -202.98 187.427 66.4933 -57.6318 66.4927 -33.8818 GPRESSURE: 858400 -72.7201 -259.208 -36.0772 -105.069 215.605 63.8875 -31.4909 -7.67481 -2.59136 PRESSAVG: 858400 3.79384 -19.5321 -4.3438 -19.5322 20.4725 24.5903 -4.34378 24.5903 1.03108 GPRESSAVG: 858400 3.23442 -19.0828 -3.9524 -20.3193 20.8663 24.5753 -4.82712 27.4956 1.39008 TIMING: 858400 CPU: 2701.15, 0.00316834/step Wall: 2701.15, 0.00316834/step, 3.645 hours remaining, 235.214844 MB of memory in use. ENERGY: 858400 3967.5433 20331.1831 14355.3438 240.2789 -203078.5157 2501.4980 0.0000 0.0000 52123.0339 -109559.6348 299.5518 -161682.6688 -109202.0369 299.5643 20.9912 46.7645 758811.5533 8.4325 8.4969 PRESSURE: 858600 -105.274 33.2875 190.462 33.2873 -225.882 105.296 190.461 105.296 -96.0182 GPRESSURE: 858600 -38.3571 -37.1984 165.391 165.161 -229.693 85.0539 204.681 100.12 -60.6289 PRESSAVG: 858600 22.3437 -15.324 4.57718 -15.324 0.979516 32.8942 4.57728 32.8943 25.3972 GPRESSAVG: 858600 22.4475 -14.7853 5.0897 -12.649 1.77241 31.8374 5.59003 32.5516 24.3855 TIMING: 858600 CPU: 2701.78, 0.00316635/step Wall: 2701.78, 0.00316635/step, 3.64254 hours remaining, 235.214844 MB of memory in use. ENERGY: 858600 3943.3276 20463.2197 14416.6569 227.8615 -203094.3515 2541.7714 0.0000 0.0000 51877.0582 -109624.4563 298.1382 -161501.5145 -109273.3910 299.0377 -142.3913 -109.5596 760741.0924 16.2401 16.2018 PRESSURE: 858800 -26.0868 -193.866 -96.9571 -193.867 -172.292 167.3 -96.9574 167.3 69.7178 GPRESSURE: 858800 -28.9607 -274.805 -175.083 -248.194 -92.5705 223.972 -50.1567 -40.0496 87.5933 PRESSAVG: 858800 -9.54678 -31.4528 8.14497 -31.4528 -44.9302 10.9893 8.14492 10.9894 -12.3071 GPRESSAVG: 858800 -9.34708 -31.398 7.04241 -33.3877 -44.8581 13.295 7.91093 9.25532 -12.5763 TIMING: 858800 CPU: 2702.41, 0.00313973/step Wall: 2702.41, 0.00313973/step, 3.61174 hours remaining, 235.214844 MB of memory in use. ENERGY: 858800 3910.2957 20264.7970 14512.0444 262.0669 -203395.7185 2623.4283 0.0000 0.0000 52032.3682 -109790.7181 299.0307 -161823.0863 -109422.4223 298.6978 -42.8871 -11.3126 760738.2289 -22.2614 -22.2605 PRESSURE: 859000 -79.3071 -44.9236 159.62 -44.9241 64.4515 3.54003 159.619 3.5403 -115.191 GPRESSURE: 859000 -74.1732 -34.273 132.393 -39.806 146.262 -73.08 136.924 -94.845 -94.2869 PRESSAVG: 859000 20.3199 -27.6292 -16.3569 -27.6292 -4.19382 7.05547 -16.357 7.05553 -8.85118 GPRESSAVG: 859000 19.4689 -28.0356 -14.3428 -26.3959 -4.1612 7.1677 -17.2203 8.86501 -8.00206 TIMING: 859000 CPU: 2703.04, 0.00314621/step Wall: 2703.04, 0.00314621/step, 3.61902 hours remaining, 235.214844 MB of memory in use. ENERGY: 859000 3953.4969 20360.2885 14472.9771 244.1209 -202933.4649 2452.8653 0.0000 0.0000 51874.2020 -109575.5141 298.1218 -161449.7161 -109210.2261 298.5506 -43.3490 -7.3993 762303.3869 2.4249 2.4352 PRESSURE: 859200 67.6977 -19.0199 -148.805 -19.0205 -264.853 -28.4471 -148.805 -28.4478 -16.935 GPRESSURE: 859200 111.953 49.4971 -156.614 26.4732 -211.547 -31.2231 -156.336 -36.2127 -23.5216 PRESSAVG: 859200 58.1409 -6.16464 -29.8235 -6.16465 -77.8764 -29.5889 -29.8235 -29.589 -8.49108 GPRESSAVG: 859200 58.8617 -5.69298 -31.7144 -6.12852 -78.9593 -28.8807 -30.3701 -30.9191 -7.59942 TIMING: 859200 CPU: 2703.67, 0.00316709/step Wall: 2703.67, 0.00316709/step, 3.64285 hours remaining, 235.214844 MB of memory in use. ENERGY: 859200 4030.7277 20422.1958 14449.3596 267.1589 -203356.3879 2666.4487 0.0000 0.0000 51924.5630 -109595.9341 298.4112 -161520.4971 -109233.8602 298.6341 -71.3636 -41.0387 761715.5604 -9.4089 -9.2323 PRESSURE: 859400 -47.3548 -46.1808 -62.251 -46.1808 -170.955 6.94348 -62.2505 6.94363 120.907 GPRESSURE: 859400 29.2482 -105.933 -145.04 -50.0544 -169.358 24.8401 -99.825 -8.73176 116.667 PRESSAVG: 859400 36.4215 -10.2513 -53.9864 -10.2513 -50.6036 -40.1854 -53.9864 -40.1853 -0.0524591 GPRESSAVG: 859400 37.1082 -13.2148 -51.054 -11.1035 -49.5513 -39.921 -53.8068 -40.8883 -1.44523 TIMING: 859400 CPU: 2704.3, 0.00316709/step Wall: 2704.3, 0.00316709/step, 3.64268 hours remaining, 235.214844 MB of memory in use. ENERGY: 859400 3919.1618 20603.5264 14482.9784 238.9341 -203381.7662 2432.5188 0.0000 0.0000 52156.2289 -109548.4178 299.7426 -161704.6467 -109188.6172 298.8725 -32.4676 -7.8143 762434.8829 -4.7448 -4.6294 PRESSURE: 859600 -134.888 -9.40999 -49.9573 -9.41039 -579.401 -61.2736 -49.9571 -61.2732 -208.741 GPRESSURE: 859600 -144.317 68.8449 27.477 -15.5717 -440.949 -35.0576 104.575 -30.3306 -260.761 PRESSAVG: 859600 14.9837 -49.4618 -2.81592 -49.4618 43.7846 -40.1362 -2.81592 -40.1363 -9.04748 GPRESSAVG: 859600 14.8038 -47.6729 -6.71578 -48.8403 42.8863 -39.559 -3.47542 -40.3571 -8.43506 TIMING: 859600 CPU: 2704.94, 0.00315819/step Wall: 2704.94, 0.00315819/step, 3.63227 hours remaining, 235.214844 MB of memory in use. ENERGY: 859600 3946.7062 20469.8230 14498.6519 262.8867 -203410.2567 2471.0203 0.0000 0.0000 52134.0436 -109627.1251 299.6151 -161761.1687 -109260.9953 298.7731 -307.6769 -282.0093 762541.2946 16.5736 16.4184 PRESSURE: 859800 164.676 21.5801 -87.3992 21.5798 40.511 69.0039 -87.398 69.0038 -12.1188 GPRESSURE: 859800 115.672 -80.1216 -40.1341 71.4395 111.99 105.266 -62.6589 -25.6387 51.9394 PRESSAVG: 859800 23.1796 -32.3643 -13.0059 -32.3643 -20.787 17.2597 -13.0058 17.2596 9.12522 GPRESSAVG: 859800 21.8416 -32.3433 -9.89532 -32.689 -19.3268 16.3221 -11.4879 18.1238 9.01401 TIMING: 859800 CPU: 2705.57, 0.00316455/step Wall: 2705.57, 0.00316455/step, 3.63941 hours remaining, 235.214844 MB of memory in use. ENERGY: 859800 4029.0175 20410.2810 14431.2535 253.5855 -203731.5626 2824.1066 0.0000 0.0000 52005.0106 -109778.3078 298.8735 -161783.3184 -109428.7099 298.7531 64.3561 93.2005 760185.5007 3.8393 3.8430 PRESSURE: 860000 -347.274 -133.389 337.45 -133.388 -314.471 84.021 337.449 84.021 21.8239 GPRESSURE: 860000 -272.961 -12.9392 299.117 -172.117 -329.022 107.954 322.341 126.465 30.1859 PRESSAVG: 860000 4.47866 -29.7105 54.4778 -29.7104 37.5899 -15.348 54.4778 -15.348 -8.63668 GPRESSAVG: 860000 5.07798 -29.1235 52.2649 -31.1499 37.2588 -15.6566 55.4861 -17.0699 -8.38083 TIMING: 860000 CPU: 2706.2, 0.0031532/step Wall: 2706.2, 0.00315319/step, 3.62617 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 860000 4009.8598 20347.6069 14470.4210 254.2239 -203132.0065 2414.5758 0.0000 0.0000 51950.0813 -109685.2377 298.5578 -161635.3190 -109321.9959 298.9229 -213.3071 -190.5992 761607.2384 11.1440 11.3187 PRESSURE: 860200 249.898 -328.444 -25.3317 -328.443 -56.8414 81.928 -25.3319 81.9293 150.715 GPRESSURE: 860200 282.859 -216.851 32.4364 -228.124 -27.5747 103.758 -13.2037 122.463 147.166 PRESSAVG: 860200 -12.7118 2.04078 23.5356 2.04086 21.4573 -18.1141 23.5357 -18.1142 3.14401 GPRESSAVG: 860200 -11.5819 1.17132 23.64 4.34759 20.6931 -18.2939 21.1377 -16.4292 2.51012 TIMING: 860200 CPU: 2706.83, 0.00316588/step Wall: 2706.83, 0.00316588/step, 3.64058 hours remaining, 235.214844 MB of memory in use. ENERGY: 860200 3934.8692 20646.1724 14446.1246 247.5761 -203379.7832 2721.4073 0.0000 0.0000 51785.3015 -109598.3322 297.6108 -161383.6337 -109242.9634 298.9548 114.5906 134.1502 761223.7450 3.9632 3.8738 LDB: ============= START OF LOAD BALANCING ============== 2719.23 LDB: ============== END OF LOAD BALANCING =============== 2719.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2719.24 LDB: ============= START OF LOAD BALANCING ============== 2719.55 LDB: Largest compute 7077 load 0.033321 is 17.0% of average load 0.195816 LDB: Average compute 0.004367 is 2.2% of average load 0.195816 LDB: TIME 2719.56 LOAD: AVG 0.195816 MAX 0.217316 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.973 MB LDB: TIME 2719.56 LOAD: AVG 0.195816 MAX 0.217316 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.973 MB LDB: TIME 2719.56 LOAD: AVG 0.195816 MAX 0.217316 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2719.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2719.56 PRESSURE: 860400 -95.4178 -184.456 -52.5842 -184.456 -71.1572 -55.594 -52.5845 -55.5951 -194.674 GPRESSURE: 860400 -153.892 -130.897 72.4133 -135.295 -34.4145 -136.555 23.8507 -43.4047 -96.7227 PRESSAVG: 860400 8.55265 -40.9827 23.9972 -40.9827 23.9037 10.0155 23.9971 10.0155 -13.9877 GPRESSAVG: 860400 7.1815 -40.2717 26.1249 -42.109 25.2755 10.3583 25.0048 9.46115 -14.1974 TIMING: 860400 CPU: 2707.48, 0.00324682/step Wall: 2707.48, 0.00324682/step, 3.73348 hours remaining, 236.253906 MB of memory in use. ENERGY: 860400 3962.3579 20357.1007 14453.0520 251.2816 -203246.4330 2511.5228 0.0000 0.0000 52048.9408 -109662.1772 299.1260 -161711.1180 -109303.3002 299.1216 -120.4164 -95.0099 760928.6325 6.1562 6.0865 PRESSURE: 860600 -18.8986 244.9 -122.568 244.901 15.9378 3.10864 -122.567 3.1097 -370.859 GPRESSURE: 860600 45.2969 267.457 -157.698 152.914 -67.6944 -78.3607 -184.841 35.6104 -268.706 PRESSAVG: 860600 8.36392 -46.0124 37.0798 -46.0124 10.302 -6.57441 37.0797 -6.57442 -5.82042 GPRESSAVG: 860600 7.58073 -49.0983 35.2072 -44.7656 9.84659 -7.3095 36.9164 -6.72555 -4.39852 TIMING: 860600 CPU: 2708.12, 0.00317284/step Wall: 2708.12, 0.00317284/step, 3.64824 hours remaining, 236.253906 MB of memory in use. ENERGY: 860600 4033.1316 20472.9629 14420.6570 255.1645 -202961.6951 2195.0017 0.0000 0.0000 51896.0935 -109688.6841 298.2476 -161584.7775 -109327.8081 298.8244 -124.6065 -97.0345 759655.9049 4.2818 4.3429 PRESSURE: 860800 54.7559 -59.2177 -117.917 -59.2183 1.57698 -39.2079 -117.918 -39.2079 112.409 GPRESSURE: 860800 117.803 -166.921 -96.0204 18.8527 78.2215 6.27643 -5.15497 59.0564 39.2345 PRESSAVG: 860800 27.0009 -12.5936 -70.1013 -12.5937 14.6569 -37.8199 -70.1012 -37.8198 -7.54106 GPRESSAVG: 860800 28.2448 -9.37019 -68.9037 -14.4826 15.1666 -37.5103 -70.4189 -37.3619 -8.46845 TIMING: 860800 CPU: 2708.75, 0.00318098/step Wall: 2708.75, 0.00318098/step, 3.65742 hours remaining, 236.253906 MB of memory in use. ENERGY: 860800 4035.8259 20471.1334 14401.0566 239.6688 -203461.6029 2646.2341 0.0000 0.0000 52080.6838 -109587.0002 299.3084 -161667.6840 -109240.6096 298.4573 56.2473 78.4198 760022.2821 11.3722 11.6477 PRESSURE: 861000 -180.799 -152.291 -34.9938 -152.291 -201.187 33.8613 -34.9939 33.8613 -343.087 GPRESSURE: 861000 -92.5593 -183.267 -76.5888 -84.692 -251.657 65.4945 22.2472 95.8999 -302.595 PRESSAVG: 861000 -34.7138 -10.9399 -4.936 -10.94 3.78444 -21.7965 -4.93597 -21.7965 3.33019 GPRESSAVG: 861000 -33.3384 -13.7779 -4.94781 -8.47205 1.9217 -19.6661 -4.1167 -22.909 3.53133 TIMING: 861000 CPU: 2709.38, 0.00316225/step Wall: 2709.38, 0.00316225/step, 3.6357 hours remaining, 236.253906 MB of memory in use. ENERGY: 861000 3989.3183 20369.8445 14401.1287 230.0501 -203079.7725 2308.4448 0.0000 0.0000 52222.0835 -109558.9026 300.1210 -161780.9861 -109189.1095 298.8042 -241.6911 -215.6037 760488.3069 -9.1997 -9.2951 PRESSURE: 861200 -396.129 23.3297 -119.572 23.3295 191.235 -33.0414 -119.571 -33.0411 -297.605 GPRESSURE: 861200 -327.922 -13.1046 -230.018 12.1187 155.244 -71.2896 -48.6353 -174.368 -236.137 PRESSAVG: 861200 -16.6782 3.18679 2.65485 3.18682 10.4341 -39.2094 2.65489 -39.2094 -23.1239 GPRESSAVG: 861200 -18.1428 6.43937 0.900194 -0.345233 12.3665 -41.9056 2.96275 -39.2032 -23.8618 TIMING: 861200 CPU: 2710.02, 0.00316826/step Wall: 2710.02, 0.00316826/step, 3.64245 hours remaining, 236.253906 MB of memory in use. ENERGY: 861200 4037.9813 20391.6671 14390.7739 244.5169 -203039.2705 2357.7197 0.0000 0.0000 52091.3419 -109525.2697 299.3697 -161616.6116 -109166.3944 299.1483 -167.4999 -136.2716 759149.8034 -9.7893 -9.8793 PRESSURE: 861400 119.8 89.9501 -78.5613 89.95 -12.9743 -93.0763 -78.5607 -93.0767 95.828 GPRESSURE: 861400 151.571 103.382 -122.458 -5.97361 -1.32365 -139.441 -94.6982 -70.1033 152.509 PRESSAVG: 861400 -5.80719 4.55907 6.69773 4.55906 5.70691 -19.2889 6.69774 -19.2889 3.10945 GPRESSAVG: 861400 -6.67085 3.7201 7.51362 4.67853 5.58179 -18.7116 5.09463 -19.2892 3.98767 TIMING: 861400 CPU: 2710.65, 0.00317457/step Wall: 2710.65, 0.00317457/step, 3.64952 hours remaining, 236.253906 MB of memory in use. ENERGY: 861400 3934.1061 20489.6595 14429.0678 252.6773 -202937.8636 2289.7408 0.0000 0.0000 51995.0700 -109547.5421 298.8164 -161542.6120 -109194.6114 299.2285 67.5513 100.9190 759592.9477 1.0031 0.9662 PRESSURE: 861600 -67.6436 -6.80896 -22.6683 -6.80891 171.725 -14.249 -22.6686 -14.2489 52.7507 GPRESSURE: 861600 16.3163 -21.1029 107.436 -96.0946 141.539 29.7347 49.17 90.5505 75.7509 PRESSAVG: 861600 -40.5184 2.80951 40.53 2.80946 31.1674 44.1035 40.53 44.1035 12.0185 GPRESSAVG: 861600 -40.1361 4.13734 39.8977 2.6549 30.5622 45.7373 41.3846 43.7788 12.224 TIMING: 861600 CPU: 2711.28, 0.00315045/step Wall: 2711.28, 0.00315045/step, 3.62162 hours remaining, 236.253906 MB of memory in use. ENERGY: 861600 3901.8525 20376.2201 14437.9703 260.0755 -202991.2300 2412.3298 0.0000 0.0000 52153.9460 -109448.8357 299.7294 -161602.7817 -109086.7154 299.2142 52.2773 77.8687 760454.2556 0.8892 0.8834 PRESSURE: 861800 -127.598 174.597 4.76135 174.597 -90.3311 270.623 4.76201 270.622 -289.553 GPRESSURE: 861800 -75.3564 173.248 -18.544 207.873 -63.2466 168.746 -7.34489 216.252 -271.739 PRESSAVG: 861800 44.6569 -1.43905 21.9185 -1.43904 5.77376 -34.7116 21.9186 -34.7116 5.43637 GPRESSAVG: 861800 45.6646 -3.99712 23.1038 1.13314 5.79115 -36.5649 22.7516 -33.5734 4.97707 TIMING: 861800 CPU: 2711.91, 0.00315855/step Wall: 2711.91, 0.00315855/step, 3.63075 hours remaining, 236.253906 MB of memory in use. ENERGY: 861800 3983.8143 20385.0690 14452.3321 220.4110 -202966.9679 2347.5948 0.0000 0.0000 52022.6890 -109555.0578 298.9751 -161577.7468 -109192.2780 299.5773 -169.1606 -136.7808 759838.3500 18.6224 18.8109 PRESSURE: 862000 -211.434 50.255 -28.9872 50.2567 -118.316 -45.6079 -28.9874 -45.6083 -258.519 GPRESSURE: 862000 -157.522 17.676 -121.362 62.2807 -25.8373 -29.5043 81.0744 -153.267 -304.752 PRESSAVG: 862000 30.8524 -23.488 -17.6375 -23.488 -56.1096 30.535 -17.6375 30.535 -8.02249 GPRESSAVG: 862000 30.5593 -22.396 -20.1353 -24.9314 -55.6499 30.5424 -17.3373 29.654 -7.79488 TIMING: 862000 CPU: 2712.55, 0.00316576/step Wall: 2712.55, 0.00316576/step, 3.63886 hours remaining, 236.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 862000 4035.8474 20524.4541 14439.3469 236.2970 -203344.6774 2643.7241 0.0000 0.0000 51908.4711 -109556.5368 298.3187 -161465.0079 -109187.0331 299.3343 -196.0899 -162.7037 761780.6730 -11.0932 -10.9618 PRESSURE: 862200 105.577 -160.141 112.903 -160.141 -53.6953 -136.374 112.903 -136.373 -8.90929 GPRESSURE: 862200 57.4162 -83.9888 196.693 -66.3766 55.8354 -149.07 38.9729 -65.8463 23.9535 PRESSAVG: 862200 5.90493 -43.8406 16.9086 -43.8406 37.922 13.9383 16.9086 13.9383 -12.7996 GPRESSAVG: 862200 6.30611 -42.6846 19.5186 -44.3198 38.3033 14.585 13.9871 15.3308 -13.7006 TIMING: 862200 CPU: 2713.18, 0.00315142/step Wall: 2713.18, 0.00315142/step, 3.62221 hours remaining, 236.253906 MB of memory in use. ENERGY: 862200 4060.1305 20436.4324 14384.0565 255.6641 -203896.2866 2875.7009 0.0000 0.0000 52333.7191 -109550.5830 300.7626 -161884.3021 -109189.9731 298.9925 14.3241 45.7350 760866.6405 10.3425 10.3029 PRESSURE: 862400 -139.546 -0.773158 26.6861 -0.772584 146.488 -161.649 26.6853 -161.649 -102.617 GPRESSURE: 862400 -86.4661 -148.844 77.6449 101.632 144.484 -102.877 -122.465 -138.426 -58.9652 PRESSAVG: 862400 -0.290703 -43.6299 37.6082 -43.63 -45.4392 -6.63094 37.6082 -6.63094 -11.4773 GPRESSAVG: 862400 -0.928994 -45.7878 36.2763 -43.2628 -45.5708 -6.02811 37.1884 -7.39949 -11.29 TIMING: 862400 CPU: 2713.81, 0.00316173/step Wall: 2713.81, 0.00316174/step, 3.63389 hours remaining, 236.253906 MB of memory in use. ENERGY: 862400 4063.4901 20426.4923 14346.6630 235.9012 -203498.6863 2796.3829 0.0000 0.0000 51909.2516 -109720.5052 298.3232 -161629.7568 -109363.6380 299.4766 -31.8914 -0.3157 762566.7219 -19.0691 -19.2633 PRESSURE: 862600 148.374 -29.739 -113.284 -29.7397 -312.298 155.773 -113.285 155.775 12.3824 GPRESSURE: 862600 185.599 46.4175 -45.7861 -56.97 -236.593 185.002 62.5891 136.855 -29.7788 PRESSAVG: 862600 6.58494 -29.514 41.8901 -29.5141 13.3875 -37.3368 41.8901 -37.3369 8.02148 GPRESSAVG: 862600 7.45891 -28.0373 42.0516 -28.8318 12.6117 -36.5549 44.8046 -37.977 7.66645 TIMING: 862600 CPU: 2714.44, 0.00315999/step Wall: 2714.44, 0.00315999/step, 3.63171 hours remaining, 236.253906 MB of memory in use. ENERGY: 862600 4079.2702 20466.8158 14365.3113 249.2084 -203464.1863 2624.4521 0.0000 0.0000 51796.1446 -109882.9839 297.6732 -161679.1285 -109517.0454 299.0183 -50.5136 -26.9243 760252.2926 9.3313 9.2457 PRESSURE: 862800 -230.764 55.247 -113.051 55.2476 -242.603 -338.373 -113.051 -338.373 -26.8302 GPRESSURE: 862800 -224.757 33.0698 -58.8873 -46.5348 -215.324 -371.106 -126.293 -334.769 4.53404 PRESSAVG: 862800 -18.243 -3.69443 54.6978 -3.69435 -5.28615 -7.56111 54.6977 -7.56112 15.6998 GPRESSAVG: 862800 -17.031 -5.73232 53.5021 -4.06782 -6.25481 -10.1695 55.4342 -4.12866 15.8989 TIMING: 862800 CPU: 2715.07, 0.00314069/step Wall: 2715.07, 0.00314069/step, 3.60935 hours remaining, 236.253906 MB of memory in use. ENERGY: 862800 3938.1672 20456.8231 14442.2425 240.2920 -203587.2156 2514.1798 0.0000 0.0000 52126.8967 -109868.6143 299.5740 -161995.5110 -109500.5726 298.7297 -166.7327 -145.1823 759654.1024 -2.6098 -2.4623 PRESSURE: 863000 -83.8329 101.825 -32.5542 101.825 151.717 -278.619 -32.5538 -278.618 -19.7237 GPRESSURE: 863000 -35.8398 112.383 -83.2655 34.6114 86.1601 -282.529 -54.4559 -172.216 94.6037 PRESSAVG: 863000 21.2734 22.6538 -14.937 22.6538 -13.1341 -5.50814 -14.937 -5.5082 9.78413 GPRESSAVG: 863000 19.8617 23.9621 -14.2873 20.1344 -12.0255 -2.79243 -15.2639 -7.88344 10.3393 TIMING: 863000 CPU: 2715.7, 0.00316509/step Wall: 2715.7, 0.00316509/step, 3.63721 hours remaining, 236.253906 MB of memory in use. ENERGY: 863000 3954.5287 20550.5455 14383.7800 259.5196 -203499.7326 2363.3035 0.0000 0.0000 52295.4822 -109692.5732 300.5429 -161988.0554 -109330.7558 299.5044 16.0534 48.3080 758432.6998 5.9745 6.0585 PRESSURE: 863200 -54.5579 48.2568 11.4048 48.2577 53.1356 165.25 11.4051 165.251 -295.998 GPRESSURE: 863200 -66.6402 -9.88077 58.9277 186.045 80.4457 90.9702 112.507 162.859 -206.437 PRESSAVG: 863200 49.6947 -28.93 -20.944 -28.9299 1.11382 -62.7006 -20.9439 -62.7007 -0.536798 GPRESSAVG: 863200 48.7396 -31.8184 -21.119 -26.6149 0.69593 -63.0242 -20.8132 -65.0379 0.682271 TIMING: 863200 CPU: 2716.34, 0.00316239/step Wall: 2716.34, 0.00316239/step, 3.63394 hours remaining, 236.253906 MB of memory in use. ENERGY: 863200 3983.4341 20469.4254 14435.5080 265.8381 -203612.4851 2747.5716 0.0000 0.0000 52212.9747 -109497.7331 300.0687 -161710.7078 -109144.9604 299.4438 -99.1402 -64.2106 759822.8358 16.7572 16.7059 PRESSURE: 863400 -198.19 27.2262 -68.5288 27.2258 -61.2467 -7.20888 -68.5283 -7.20858 -61.9841 GPRESSURE: 863400 -196.65 161.437 30.5701 74.2814 6.67624 -14.8439 -108.878 66.0167 -64.3761 PRESSAVG: 863400 44.3181 -35.1876 44.2586 -35.1876 -7.74354 -11.6868 44.2586 -11.6868 8.21213 GPRESSAVG: 863400 46.2334 -33.0566 43.56 -35.2935 -7.13746 -11.508 43.3625 -10.7485 6.094 TIMING: 863400 CPU: 2716.97, 0.00316521/step Wall: 2716.97, 0.00316521/step, 3.637 hours remaining, 236.253906 MB of memory in use. ENERGY: 863400 3948.9899 20516.8493 14344.0725 239.9052 -203169.6250 2569.0400 0.0000 0.0000 52024.0707 -109526.6975 298.9830 -161550.7682 -109162.7069 299.6495 -107.1401 -84.7831 760434.0482 14.9289 15.0633 PRESSURE: 863600 -86.1034 -184.157 323.195 -184.156 -293.135 -174.794 323.195 -174.796 -254.913 GPRESSURE: 863600 -106.382 -210.557 398.027 -193.79 -236.295 -222.049 222.291 -210.914 -205.94 PRESSAVG: 863600 -60.7072 -71.1357 124.8 -71.1357 35.0974 -41.1045 124.8 -41.1045 9.45708 GPRESSAVG: 863600 -62.4266 -71.1902 126.482 -71.5272 35.9223 -42.0172 123.201 -43.2867 10.0592 TIMING: 863600 CPU: 2717.6, 0.00315846/step Wall: 2717.6, 0.00315846/step, 3.62907 hours remaining, 236.511719 MB of memory in use. ENERGY: 863600 3957.8052 20483.3808 14466.8289 275.5325 -202623.9689 2100.6769 0.0000 0.0000 51809.1704 -109530.5742 297.7480 -161339.7446 -109178.9334 299.2206 -211.3838 -182.8725 761374.0097 -5.3842 -5.4817 PRESSURE: 863800 -304.209 -309.385 177.179 -309.384 -155.683 -135.657 177.178 -135.657 173.758 GPRESSURE: 863800 -207.215 -298.068 216.256 -323.255 -115.603 -128.936 175.232 -35.3483 129.12 PRESSAVG: 863800 -5.90483 -86.4323 45.4203 -86.4323 47.0386 -77.0246 45.4203 -77.0246 9.48975 GPRESSAVG: 863800 -3.7891 -86.527 43.0362 -85.7532 45.3285 -76.2205 47.6136 -75.0172 9.75412 TIMING: 863800 CPU: 2718.23, 0.00316784/step Wall: 2718.23, 0.00316784/step, 3.63967 hours remaining, 236.511719 MB of memory in use. ENERGY: 863800 3993.9452 20368.5906 14420.8144 255.3129 -203007.6253 2320.9534 0.0000 0.0000 52177.2093 -109470.7995 299.8631 -161648.0087 -109100.8560 299.6478 -95.3779 -64.5660 761156.0048 16.8745 17.0978 PRESSURE: 864000 181.613 -31.2973 -207.298 -31.2979 146.775 -42.1725 -207.297 -42.1728 -63.1287 GPRESSURE: 864000 156.721 -6.50355 -217.85 -25.2939 169.618 -92.982 -105.354 -38.2355 21.6028 PRESSAVG: 864000 12.1728 -72.053 -6.99651 -72.053 6.60546 -15.5509 -6.99653 -15.5509 -11.25 GPRESSAVG: 864000 10.7815 -71.7891 -3.68443 -71.3598 8.23942 -15.8736 -6.11626 -15.9803 -11.5173 TIMING: 864000 CPU: 2718.87, 0.00315996/step Wall: 2718.87, 0.00315996/step, 3.63044 hours remaining, 236.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 864000 4020.4368 20537.4465 14348.8537 257.0171 -203719.0110 2731.2227 0.0000 0.0000 52247.8805 -109576.1538 300.2693 -161824.0342 -109223.2875 298.6552 88.4197 115.9807 760248.9093 2.5094 2.5012 PRESSURE: 864200 -207.093 -79.1989 -41.6759 -79.1993 203.411 -133.731 -41.6765 -133.731 379.087 GPRESSURE: 864200 -47.2803 -70.0389 -16.0877 -177.21 210.609 -55.8344 -99.7208 -139.442 313.949 PRESSAVG: 864200 -27.5138 -40.2048 -22.6182 -40.2048 14.1637 -0.741752 -22.6182 -0.74182 -0.278812 GPRESSAVG: 864200 -28.4218 -40.1639 -25.7677 -41.5054 14.2643 2.04791 -23.7609 -2.49183 0.826748 TIMING: 864200 CPU: 2719.5, 0.00318048/step Wall: 2719.5, 0.00318048/step, 3.65384 hours remaining, 236.511719 MB of memory in use. ENERGY: 864200 3925.5942 20480.2520 14390.8778 254.4499 -203259.2555 2362.6435 0.0000 0.0000 52192.2198 -109653.2184 299.9494 -161845.4382 -109293.5115 299.0442 125.1351 159.0925 761190.1024 -4.5430 -4.4436 LDB: ============= START OF LOAD BALANCING ============== 2731.91 LDB: ============== END OF LOAD BALANCING =============== 2731.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2731.91 LDB: ============= START OF LOAD BALANCING ============== 2732.23 LDB: Largest compute 7075 load 0.034849 is 17.8% of average load 0.195771 LDB: Average compute 0.004384 is 2.2% of average load 0.195771 LDB: TIME 2732.23 LOAD: AVG 0.195771 MAX 0.21522 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 2732.23 LOAD: AVG 0.195771 MAX 0.21522 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 2732.23 LOAD: AVG 0.195771 MAX 0.21522 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 2732.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2732.24 PRESSURE: 864400 282.759 116.521 197.17 116.521 -221.765 145.108 197.17 145.109 221.519 GPRESSURE: 864400 287.805 52.4418 250.642 -31.6388 -184.814 135.768 159.724 138.265 240.439 PRESSAVG: 864400 -1.94082 2.69091 85.7084 2.69096 8.43563 -31.7137 85.7084 -31.7138 -5.07667 GPRESSAVG: 864400 0.24828 2.40596 89.4311 2.9719 7.65097 -33.9207 84.1646 -30.1743 -5.97999 TIMING: 864400 CPU: 2720.16, 0.00326891/step Wall: 2720.16, 0.00326891/step, 3.75525 hours remaining, 235.468750 MB of memory in use. ENERGY: 864400 3974.7972 20700.5465 14439.1276 259.3175 -203725.4057 2768.3634 0.0000 0.0000 51736.4838 -109846.7697 297.3303 -161583.2535 -109499.4542 298.8391 94.1712 114.4767 760824.4909 0.4727 0.6398 PRESSURE: 864600 161.419 -45.6101 -5.04976 -45.6096 -91.7159 -86.422 -5.04996 -86.4204 -126.906 GPRESSURE: 864600 158.793 -121.038 15.7826 -64.6267 -89.2375 -24.1854 -46.8887 -246.442 -35.6645 PRESSAVG: 864600 -17.5599 25.8361 24.4757 25.8361 -15.3126 -2.7899 24.4757 -2.78989 8.68771 GPRESSAVG: 864600 -18.6645 23.1866 22.4904 26.5491 -15.3336 -2.00003 24.8813 -3.49222 10.2267 TIMING: 864600 CPU: 2720.79, 0.00317394/step Wall: 2720.79, 0.00317394/step, 3.64597 hours remaining, 235.671875 MB of memory in use. ENERGY: 864600 4011.1433 20586.6024 14385.6610 245.8437 -203729.8512 2841.1782 0.0000 0.0000 52104.7917 -109554.6310 299.4470 -161659.4227 -109198.1053 299.2216 -19.0675 11.2970 761280.0237 -8.0616 -7.9238 PRESSURE: 864800 152.669 5.05217 58.8731 5.05156 -227.266 -51.9238 58.8736 -51.9227 177.778 GPRESSURE: 864800 181.308 -18.0811 95.1271 52.7997 -272.383 -104.88 -9.52868 -1.98409 263.999 PRESSAVG: 864800 20.7805 5.89651 36.984 5.89651 -20.0474 11.4387 36.984 11.4387 16.9832 GPRESSAVG: 864800 20.5073 9.227 37.7098 5.13645 -19.2888 10.4128 35.9753 13.9098 15.9684 TIMING: 864800 CPU: 2721.43, 0.00318167/step Wall: 2721.43, 0.00318167/step, 3.65468 hours remaining, 235.671875 MB of memory in use. ENERGY: 864800 3913.5236 20516.1334 14391.5343 256.3119 -203476.3294 2631.1152 0.0000 0.0000 52316.6156 -109451.0955 300.6643 -161767.7111 -109094.0475 299.3811 34.3937 57.6412 761512.0904 5.9055 5.7290 PRESSURE: 865000 -186.103 -260.832 154.715 -260.832 -75.6174 -121.029 154.715 -121.03 129.889 GPRESSURE: 865000 -115.576 -148.361 145.01 -238.022 0.218946 -172.471 114.873 16.7552 63.7865 PRESSAVG: 865000 59.7352 -36.8928 0.375718 -36.8929 -30.1705 -9.5958 0.375794 -9.59578 19.2649 GPRESSAVG: 865000 61.0501 -38.2071 -0.580745 -35.8687 -31.1055 -9.37047 1.81842 -9.87818 18.2212 TIMING: 865000 CPU: 2722.06, 0.00318574/step Wall: 2722.06, 0.00318574/step, 3.65917 hours remaining, 235.671875 MB of memory in use. ENERGY: 865000 3967.1062 20458.9832 14381.2791 246.5624 -203352.3229 2379.7603 0.0000 0.0000 52287.5185 -109631.1131 300.4971 -161918.6317 -109260.1883 298.7979 -43.9437 -17.1904 759310.5570 16.2766 16.0553 PRESSURE: 865200 205.805 -80.2807 -184.143 -80.2812 -223.889 -103.598 -184.144 -103.597 191.141 GPRESSURE: 865200 267.994 -66.0191 -224.546 -31.4966 -228.111 -33.5052 -235.496 -230.212 236.683 PRESSAVG: 865200 -10.919 -13.2964 -7.42569 -13.2964 38.6788 -19.2545 -7.42569 -19.2545 12.0568 GPRESSAVG: 865200 -13.5581 -13.0476 -6.44946 -13.918 39.0308 -17.7388 -9.09833 -19.85 14.1014 TIMING: 865200 CPU: 2722.7, 0.00316215/step Wall: 2722.7, 0.00316214/step, 3.6319 hours remaining, 235.671875 MB of memory in use. ENERGY: 865200 4066.2863 20434.6936 14393.9931 255.7987 -203187.5326 2519.1513 0.0000 0.0000 52051.9830 -109465.6267 299.1435 -161517.6097 -109106.3685 299.6927 57.6857 92.1886 761018.8507 13.2722 13.1914 PRESSURE: 865400 47.4378 112.119 -0.926234 112.12 89.4254 19.564 -0.926483 19.563 -162.566 GPRESSURE: 865400 60.6963 138.579 -27.7517 -27.9851 66.4614 15.4456 -133.892 140.474 -46.3153 PRESSAVG: 865400 -1.67989 -37.9382 -3.87911 -37.9382 -45.4913 3.61444 -3.87906 3.61445 3.74444 GPRESSAVG: 865400 -0.382582 -36.4667 -6.14332 -39.1815 -45.9502 2.22675 -1.87284 2.03641 2.92435 TIMING: 865400 CPU: 2723.33, 0.00316185/step Wall: 2723.33, 0.00316185/step, 3.63139 hours remaining, 235.671875 MB of memory in use. ENERGY: 865400 4006.8228 20375.7369 14499.5483 241.0606 -203451.4667 2603.8119 0.0000 0.0000 52222.7504 -109501.7358 300.1249 -161724.4862 -109147.9732 299.2497 -8.5676 26.9474 761145.4031 -14.4756 -14.4695 PRESSURE: 865600 -24.5547 -113.675 110.794 -113.676 106.811 -170.61 110.794 -170.609 -221.646 GPRESSURE: 865600 75.4995 12.4803 162.181 -73.0001 87.1705 -131.424 53.2974 -140.89 -219.649 PRESSAVG: 865600 -9.22818 -44.4186 5.34742 -44.4186 21.7033 -47.4729 5.34738 -47.4729 -17.3956 GPRESSAVG: 865600 -8.14841 -46.0499 6.24645 -42.8453 21.1091 -46.7529 6.26137 -48.3672 -17.6956 TIMING: 865600 CPU: 2723.97, 0.00318911/step Wall: 2723.97, 0.00318911/step, 3.66252 hours remaining, 235.671875 MB of memory in use. ENERGY: 865600 3913.4405 20507.2198 14497.7910 232.7515 -203237.4195 2533.6325 0.0000 0.0000 52110.4593 -109442.1250 299.4795 -161552.5843 -109080.6037 299.8015 -46.4630 -18.9930 761279.5674 -1.6402 -1.5783 PRESSURE: 865800 -251.66 -41.5719 -13.0726 -41.571 -170.804 63.7682 -13.0718 63.7684 -75.8123 GPRESSURE: 865800 -154.371 -42.0739 -70.3709 5.1361 -66.431 -22.4765 -44.7279 22.5074 -182.247 PRESSAVG: 865800 -35.7104 -13.6553 2.2279 -13.6554 25.1046 32.0414 2.22788 32.0414 -15.037 GPRESSAVG: 865800 -36.9357 -13.1665 0.945664 -14.7448 25.8435 31.8084 -0.406223 33.0126 -14.4166 TIMING: 865800 CPU: 2724.6, 0.00317246/step Wall: 2724.6, 0.00317246/step, 3.64322 hours remaining, 235.671875 MB of memory in use. ENERGY: 865800 4011.1059 20579.8033 14396.7834 248.4940 -203082.2430 2401.1755 0.0000 0.0000 52135.4970 -109309.3838 299.6234 -161444.8808 -108942.7551 299.7002 -166.0919 -134.3497 761715.1587 -8.5476 -8.5029 PRESSURE: 866000 34.6722 -107.615 -55.2949 -107.615 63.5443 -119.302 -55.2954 -119.302 284.308 GPRESSURE: 866000 111.803 -146.665 -30.3754 -72.273 139.008 -80.4403 -113.732 -60.0311 204.297 PRESSAVG: 866000 3.10218 -62.3908 6.54356 -62.3908 6.54722 -60.2714 6.54361 -60.2714 -5.10792 GPRESSAVG: 866000 3.61491 -62.1218 8.87114 -61.8352 6.21823 -60.1649 6.42272 -60.5985 -5.47625 TIMING: 866000 CPU: 2725.24, 0.00318002/step Wall: 2725.24, 0.00318002/step, 3.65172 hours remaining, 235.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 866000 3971.0390 20671.8197 14453.5917 251.5200 -203218.1423 2491.9031 0.0000 0.0000 52154.7789 -109223.4899 299.7342 -161378.2687 -108858.7642 299.6765 127.5083 151.7026 761566.2959 1.5138 1.4523 PRESSURE: 866200 154.953 -257.105 -22.959 -257.104 55.2319 90.2453 -22.9594 90.2455 69.6574 GPRESSURE: 866200 203.671 -106.185 -5.35824 -303.624 54.6033 116.058 -23.8782 37.7175 105.829 PRESSAVG: 866200 20.7706 -92.7581 -28.4932 -92.7581 -32.7039 49.7541 -28.4932 49.7541 5.69636 GPRESSAVG: 866200 20.1375 -94.4679 -29.0332 -93.0667 -31.0411 47.5674 -26.1499 52.976 4.68982 TIMING: 866200 CPU: 2725.87, 0.00317838/step Wall: 2725.87, 0.00317838/step, 3.64966 hours remaining, 235.671875 MB of memory in use. ENERGY: 866200 3999.5693 20513.6985 14492.7759 251.4377 -203286.8013 2546.0484 0.0000 0.0000 52159.8993 -109323.3722 299.7637 -161483.2715 -108959.8812 299.5048 93.2808 121.3678 760588.0406 -2.0790 -2.0713 PRESSURE: 866400 -0.313132 -27.7383 62.6058 -27.7383 -110.083 0.3134 62.6047 0.312911 -278.323 GPRESSURE: 866400 -25.532 -90.0231 97.2467 37.4071 -8.53858 -158.75 33.1541 58.883 -293.664 PRESSAVG: 866400 22.6181 -64.426 -43.9607 -64.426 -19.1292 -20.9704 -43.9607 -20.9704 -7.25977 GPRESSAVG: 866400 23.6166 -63.7314 -44.548 -63.6112 -20.9405 -21.0417 -44.743 -21.5539 -6.46884 TIMING: 866400 CPU: 2726.51, 0.00317243/step Wall: 2726.51, 0.00317243/step, 3.64265 hours remaining, 235.671875 MB of memory in use. ENERGY: 866400 3991.5727 20733.7446 14567.2345 248.4285 -203294.0460 2329.2020 0.0000 0.0000 52238.6750 -109185.1886 300.2164 -161423.8635 -108820.2231 299.4676 -129.5731 -109.2450 761366.4762 -1.2569 -1.2643 PRESSURE: 866600 31.4399 -59.8751 -320.724 -59.8747 -129.405 43.3511 -320.724 43.3499 -209.329 GPRESSURE: 866600 -32.2249 -65.0909 -273.171 11.6709 -42.9843 45.0235 -311.543 107.453 -147.228 PRESSAVG: 866600 6.55238 -39.1115 0.392673 -39.1114 3.69336 18.3521 0.392723 18.3522 2.9254 GPRESSAVG: 866600 5.73504 -41.4171 2.06139 -38.601 4.65904 19.1769 0.372061 17.1209 3.90627 TIMING: 866600 CPU: 2727.14, 0.003163/step Wall: 2727.14, 0.003163/step, 3.63165 hours remaining, 235.671875 MB of memory in use. ENERGY: 866600 4013.4187 20746.0433 14438.3875 270.7505 -203483.3881 2579.4451 0.0000 0.0000 52541.2508 -108894.0922 301.9553 -161435.3430 -108531.6104 300.8081 -102.4314 -74.1456 761309.3010 4.3904 4.7668 PRESSURE: 866800 -8.76924 -132.063 129.313 -132.063 -32.8436 -119.143 129.312 -119.143 77.6755 GPRESSURE: 866800 61.2578 -29.2335 61.6966 -81.7042 -1.82958 -126.469 171.899 -27.6751 50.5269 PRESSAVG: 866800 8.45941 -51.6782 -17.5287 -51.6782 -11.393 12.0187 -17.5288 12.0187 -10.1205 GPRESSAVG: 866800 9.2522 -47.8445 -19.8066 -53.3946 -12.6685 12.9845 -14.8867 10.3814 -9.91727 TIMING: 866800 CPU: 2727.77, 0.00317201/step Wall: 2727.77, 0.00317201/step, 3.64182 hours remaining, 235.671875 MB of memory in use. ENERGY: 866800 3991.8243 20652.0820 14423.9343 262.2602 -203467.3911 2662.6002 0.0000 0.0000 52551.2930 -108923.3971 302.0130 -161474.6902 -108554.7454 300.8351 12.0209 36.6517 761140.0424 -4.3514 -4.4445 PRESSURE: 867000 -29.2451 -168.723 -113.425 -168.724 273.732 194.002 -113.426 194.002 -328.142 GPRESSURE: 867000 26.3922 -181.475 -56.2477 -70.9447 323.28 159.123 -156.631 37.9463 -323.59 PRESSAVG: 867000 5.20465 -63.9209 -37.8641 -63.9209 8.33139 20.1369 -37.8641 20.1369 11.3965 GPRESSAVG: 867000 5.12519 -63.9554 -35.1675 -62.4251 8.82371 19.7625 -41.1854 22.1819 10.9499 TIMING: 867000 CPU: 2728.41, 0.00315482/step Wall: 2728.41, 0.00315482/step, 3.62191 hours remaining, 235.671875 MB of memory in use. ENERGY: 867000 4086.0546 20459.3868 14465.5198 243.7514 -203129.3261 2607.1695 0.0000 0.0000 52500.7443 -108766.6997 301.7225 -161267.4440 -108403.5781 300.8962 -27.8853 8.6941 761277.7494 8.3108 8.2996 PRESSURE: 867200 -128.649 -275.591 88.7005 -275.591 -185.146 -192.046 88.7003 -192.046 -38.4086 GPRESSURE: 867200 -143.751 -235.003 67.5729 -349.11 -85.6376 -212.255 3.96674 -311.267 -34.6785 PRESSAVG: 867200 -67.1811 -53.6647 -15.2267 -53.6646 24.9974 -7.80692 -15.2267 -7.80687 -4.56964 GPRESSAVG: 867200 -67.3658 -53.4883 -17.1086 -55.3766 25.3979 -7.23379 -13.2065 -10.1115 -4.75313 TIMING: 867200 CPU: 2729.04, 0.00316553/step Wall: 2729.04, 0.00316553/step, 3.63403 hours remaining, 235.671875 MB of memory in use. ENERGY: 867200 3989.9794 20708.8534 14421.1330 243.8617 -202992.7846 2580.0595 0.0000 0.0000 52342.2021 -108706.6956 300.8114 -161048.8977 -108325.5453 300.7564 -117.4013 -88.0223 762960.7207 -15.5844 -15.5737 PRESSURE: 867400 311.408 13.9459 -71.4446 13.9461 -119.525 -151.23 -71.4439 -151.23 -100.247 GPRESSURE: 867400 278.905 164.952 -18.2323 67.4657 -47.8247 -86.8414 97.6847 -59.0042 -62.4921 PRESSAVG: 867400 -10.0511 -41.7626 -73.8334 -41.7627 -28.4613 -6.55023 -73.8334 -6.55022 5.88227 GPRESSAVG: 867400 -10.2907 -42.2293 -74.1094 -39.6781 -28.3337 -6.4111 -71.7963 -4.45716 6.30748 TIMING: 867400 CPU: 2729.68, 0.00318807/step Wall: 2729.68, 0.00318807/step, 3.65973 hours remaining, 235.671875 MB of memory in use. ENERGY: 867400 3997.7904 20474.3918 14564.3714 245.1416 -203205.4893 2756.4857 0.0000 0.0000 52287.7256 -108879.5828 300.4983 -161167.3084 -108516.4267 300.2738 30.5456 56.1961 762347.8442 -10.8767 -10.7723 PRESSURE: 867600 -175.609 -35.4292 -6.5706 -35.429 -134.968 -33.5115 -6.57037 -33.5123 63.8431 GPRESSURE: 867600 -138.629 -17.2775 -62.5209 67.5416 -151.801 -108.759 129.022 3.11413 123.805 PRESSAVG: 867600 34.8117 -34.8135 -18.4389 -34.8135 3.73174 -18.9035 -18.4389 -18.9035 10.4126 GPRESSAVG: 867600 34.2486 -35.4229 -18.2168 -35.3283 4.32998 -19.2254 -21.2541 -17.9695 9.84684 TIMING: 867600 CPU: 2730.31, 0.00316926/step Wall: 2730.31, 0.00316926/step, 3.63796 hours remaining, 235.671875 MB of memory in use. ENERGY: 867600 3983.3056 20682.4367 14490.4899 256.9905 -202777.2163 2239.6665 0.0000 0.0000 52129.7521 -108994.5750 299.5904 -161124.3271 -108637.4849 300.1438 -82.2447 -55.5417 762763.9970 16.3187 16.1418 PRESSURE: 867800 -292.372 -43.1641 383.909 -43.1645 -128.406 -76.1566 383.909 -76.1572 -253.934 GPRESSURE: 867800 -193.994 -28.4176 369.702 -45.8241 -180.877 -17.2706 372.823 10.1087 -226.572 PRESSAVG: 867800 -14.6479 -11.6385 13.3823 -11.6385 32.2161 -10.0866 13.3823 -10.0866 10.7845 GPRESSAVG: 867800 -12.8235 -10.4271 12.8001 -11.591 30.8609 -9.47498 14.098 -11.1213 10.371 TIMING: 867800 CPU: 2730.94, 0.00316615/step Wall: 2730.94, 0.00316615/step, 3.63421 hours remaining, 235.671875 MB of memory in use. ENERGY: 867800 3997.6753 20595.8624 14452.9544 259.0881 -202914.4684 2398.4109 0.0000 0.0000 52208.8940 -109001.5834 300.0452 -161210.4773 -108633.9403 299.8615 -224.9041 -200.4809 761365.4683 9.4509 9.4695 PRESSURE: 868000 -228.352 -142.513 -17.5619 -142.513 -288.443 129.884 -17.5612 129.884 472.59 GPRESSURE: 868000 -189.112 -170.26 -110.075 -125.235 -177.857 68.8911 -10.515 204.817 406.384 PRESSAVG: 868000 -41.3516 -59.1753 5.86934 -59.1753 -24.4596 -33.4087 5.86933 -33.4087 -9.54294 GPRESSAVG: 868000 -43.3101 -60.2125 7.02727 -60.1693 -21.7856 -34.7491 5.35904 -33.5573 -10.2439 TIMING: 868000 CPU: 2731.58, 0.0031856/step Wall: 2731.58, 0.0031856/step, 3.65636 hours remaining, 235.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 868000 3958.4945 20560.9055 14461.3911 265.4118 -202900.5950 2377.0666 0.0000 0.0000 52073.7749 -109203.5506 299.2687 -161277.3255 -108836.6256 299.7805 -14.7349 13.1383 762532.1839 -25.1180 -25.1132 PRESSURE: 868200 164.259 247.272 -75.3068 247.272 415.665 215.129 -75.3069 215.128 405.188 GPRESSURE: 868200 223.964 233.212 -119.188 110.487 393.51 206.59 38.1224 221.717 444.64 PRESSAVG: 868200 13.8239 -42.1061 -26.1726 -42.1061 45.5762 17.2625 -26.1727 17.2625 2.82696 GPRESSAVG: 868200 13.6939 -40.6938 -25.5339 -42.3144 44.4436 17.9202 -25.3419 17.9522 3.18125 TIMING: 868200 CPU: 2732.21, 0.00316499/step Wall: 2732.21, 0.00316499/step, 3.63253 hours remaining, 235.671875 MB of memory in use. ENERGY: 868200 4045.2919 20496.1212 14410.1853 235.8019 -203403.2040 2685.0421 0.0000 0.0000 52148.4179 -109382.3437 299.6977 -161530.7615 -109029.1829 299.5389 328.3708 354.0379 760755.9249 20.7423 20.4396 LDB: ============= START OF LOAD BALANCING ============== 2744.61 LDB: ============== END OF LOAD BALANCING =============== 2744.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2744.61 LDB: ============= START OF LOAD BALANCING ============== 2744.93 LDB: Largest compute 7077 load 0.036262 is 18.5% of average load 0.195821 LDB: Average compute 0.004371 is 2.2% of average load 0.195821 LDB: TIME 2744.94 LOAD: AVG 0.195821 MAX 0.218207 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 2744.94 LOAD: AVG 0.195821 MAX 0.218207 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: TIME 2744.94 LOAD: AVG 0.195821 MAX 0.218207 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: ============== END OF LOAD BALANCING =============== 2744.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2744.95 PRESSURE: 868400 -347.314 199.827 38.5769 199.827 -113.269 -133.008 38.5769 -133.008 -33.4322 GPRESSURE: 868400 -276.564 107.815 -15.5171 126.264 -145.991 -99.2466 -38.392 -55.4084 16.1242 PRESSAVG: 868400 32.4851 16.2365 38.2459 16.2364 -7.46877 22.4265 38.246 22.4265 17.4652 GPRESSAVG: 868400 32.978 14.6789 39.0262 16.2004 -7.75849 23.116 37.2228 20.9947 16.4343 TIMING: 868400 CPU: 2732.86, 0.00325403/step Wall: 2732.86, 0.00325403/step, 3.73454 hours remaining, 236.496094 MB of memory in use. ENERGY: 868400 3991.3560 20459.7204 14438.1019 237.6998 -203227.6219 2496.5486 0.0000 0.0000 52138.1213 -109466.0740 299.6385 -161604.1953 -109115.8128 299.2924 -164.6718 -135.4768 761868.0586 14.1605 13.8846 PRESSURE: 868600 185.729 34.9503 -83.5033 34.9501 -2.00163 -15.2664 -83.5034 -15.2668 -500.1 GPRESSURE: 868600 217.135 76.8184 -131.602 101.361 32.0669 -13.7351 -214.879 52.3274 -492.936 PRESSAVG: 868600 -13.8491 10.7564 32.8828 10.7563 17.0159 8.80457 32.8828 8.80459 27.7979 GPRESSAVG: 868600 -13.3739 11.4844 30.8114 11.182 15.7984 9.95007 32.317 7.62696 29.0644 TIMING: 868600 CPU: 2733.5, 0.00319143/step Wall: 2733.5, 0.00319143/step, 3.66252 hours remaining, 236.562500 MB of memory in use. ENERGY: 868600 4031.4861 20600.0820 14401.9161 269.5677 -203314.7310 2536.8619 0.0000 0.0000 52095.8541 -109378.9631 299.3956 -161474.8173 -109016.8837 299.1745 -105.4575 -81.2450 762084.0492 10.3215 10.4963 PRESSURE: 868800 277.19 63.7173 98.3506 63.717 325.041 -3.74029 98.3501 -3.73993 489.251 GPRESSURE: 868800 336.715 53.6369 108.028 72.4098 356.999 -7.63132 52.6937 -6.13024 478.486 PRESSAVG: 868800 1.04772 -20.5029 56.5307 -20.503 18.4181 12.2772 56.5307 12.2771 -7.27794 GPRESSAVG: 868800 0.513694 -20.8173 58.2206 -19.9693 18.0468 11.6429 56.0072 13.3114 -6.59746 TIMING: 868800 CPU: 2734.13, 0.00315808/step Wall: 2734.13, 0.00315808/step, 3.62407 hours remaining, 236.562500 MB of memory in use. ENERGY: 868800 3918.0077 20406.8979 14462.9319 236.2375 -203561.1158 2847.3643 0.0000 0.0000 52305.9676 -109383.7089 300.6031 -161689.6765 -109012.5553 298.9233 363.8274 390.7335 760253.2316 4.0626 3.9877 PRESSURE: 869000 -130.196 -144.927 209.88 -144.927 -5.77306 66.9512 209.88 66.9513 -70.6129 GPRESSURE: 869000 -37.1966 -201.568 203.9 -185.42 16.4191 96.7392 189.544 74.5224 -110.943 PRESSAVG: 869000 -14.1617 -29.353 15.8443 -29.353 -5.01923 66.7611 15.8444 66.7611 27.0324 GPRESSAVG: 869000 -13.7914 -29.426 15.6948 -28.7824 -4.7815 66.7295 15.6218 66.182 26.8154 TIMING: 869000 CPU: 2734.77, 0.00318947/step Wall: 2734.77, 0.00318947/step, 3.65991 hours remaining, 236.562500 MB of memory in use. ENERGY: 869000 4028.4087 20620.1617 14474.8950 242.5789 -203056.5277 2539.0998 0.0000 0.0000 51932.5573 -109218.8263 298.4571 -161151.3837 -108861.9604 299.1849 -68.8608 -43.9068 762577.9894 2.6172 2.7475 PRESSURE: 869200 34.1941 -185.259 -401.435 -185.258 130.432 -385.727 -401.436 -385.728 100.027 GPRESSURE: 869200 69.425 -97.4349 -402.772 -194.469 100.91 -281.821 -350.74 -235.957 165.217 PRESSAVG: 869200 -23.8807 31.2458 -27.3086 31.2458 19.0675 -29.7073 -27.3086 -29.7072 -15.2823 GPRESSAVG: 869200 -23.7051 31.8053 -28.4324 30.4433 18.9438 -28.2769 -23.7395 -27.8018 -15.5093 TIMING: 869200 CPU: 2735.4, 0.00316245/step Wall: 2735.4, 0.00316245/step, 3.62873 hours remaining, 236.562500 MB of memory in use. ENERGY: 869200 3937.4369 20550.7133 14447.6232 269.4209 -203278.0579 2630.4736 0.0000 0.0000 51876.1231 -109566.2668 298.1328 -161442.3899 -109203.9497 299.0025 88.2180 111.8507 762911.7854 -6.6985 -6.7569 PRESSURE: 869400 -229.333 13.0835 -12.5757 13.0838 68.0288 154.406 -12.5754 154.405 13.2487 GPRESSURE: 869400 -127.787 -34.3302 -46.1652 31.6379 56.9052 104.041 79.5758 184.906 14.8547 PRESSAVG: 869400 22.0542 47.3179 27.6291 47.3179 -18.9744 -15.2128 27.629 -15.2128 19.1656 GPRESSAVG: 869400 21.7526 45.0523 28.153 47.9563 -17.8511 -16.0042 25.5957 -16.6604 18.3891 TIMING: 869400 CPU: 2736.04, 0.00315949/step Wall: 2736.04, 0.00315949/step, 3.62516 hours remaining, 236.562500 MB of memory in use. ENERGY: 869400 3948.1263 20618.2891 14417.0651 235.2483 -203082.8999 2264.5538 0.0000 0.0000 51982.7748 -109616.8425 298.7457 -161599.6173 -109258.2847 298.6412 -49.3519 -18.6756 761303.4989 7.4152 7.4302 PRESSURE: 869600 -66.9499 132.976 150.229 132.976 156.801 -164.641 150.228 -164.641 242.406 GPRESSURE: 869600 -117.094 22.1705 78.5975 181.517 270.895 -183.368 67.5962 -190.479 261.639 PRESSAVG: 869600 -11.481 -1.66722 -10.8266 -1.66722 16.1474 -12.573 -10.8266 -12.573 5.82109 GPRESSAVG: 869600 -10.3308 -2.80244 -10.9077 0.508873 15.7692 -12.9646 -12.0349 -14.6506 5.72334 TIMING: 869600 CPU: 2736.67, 0.00316501/step Wall: 2736.67, 0.00316501/step, 3.63132 hours remaining, 236.562500 MB of memory in use. ENERGY: 869600 3903.5424 20643.2841 14471.3643 249.8841 -203210.9898 2517.7125 0.0000 0.0000 52004.3196 -109420.8829 298.8695 -161425.2025 -109054.3805 298.7014 110.7525 138.4802 762129.0691 3.4958 3.7206 PRESSURE: 869800 -26.8328 -100.384 177.87 -100.384 -82.0595 39.333 177.87 39.3325 -158.477 GPRESSURE: 869800 7.3958 -148.066 134.993 -31.0987 -50.2474 51.831 23.4362 1.27883 -144.108 PRESSAVG: 869800 -14.3368 11.9476 28.6952 11.9476 60.21 -15.001 28.6952 -15.001 -15.4282 GPRESSAVG: 869800 -14.1074 12.8499 30.0301 9.99192 59.6324 -15.791 27.1694 -12.5642 -15.0221 TIMING: 869800 CPU: 2737.3, 0.0031604/step Wall: 2737.3, 0.0031604/step, 3.62586 hours remaining, 236.562500 MB of memory in use. ENERGY: 869800 3929.4443 20416.7344 14523.5088 265.5931 -203428.1019 2612.6975 0.0000 0.0000 52173.8471 -109506.2767 299.8438 -161680.1237 -109137.6718 299.3124 -89.1232 -62.3200 761559.7246 10.1484 10.1676 PRESSURE: 870000 189.293 -135.657 -1.84783 -135.658 43.654 -81.9589 -1.84822 -81.9597 291.957 GPRESSURE: 870000 310.451 -68.4173 -58.2361 -82.5381 76.1068 -133.488 -2.0544 -142.037 221.135 PRESSAVG: 870000 15.3857 -56.0885 63.6038 -56.0885 3.28126 44.3108 63.6038 44.3108 22.1756 GPRESSAVG: 870000 15.9049 -53.1629 62.5141 -56.561 4.48283 44.6244 64.4951 43.1193 20.1471 TIMING: 870000 CPU: 2737.94, 0.00317977/step Wall: 2737.94, 0.00317977/step, 3.6479 hours remaining, 236.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 870000 3924.1586 20386.8327 14504.9772 246.4428 -203645.3148 3010.0237 0.0000 0.0000 52272.4601 -109300.4196 300.4105 -161572.8797 -108935.1483 298.9775 174.9679 202.5645 761308.2633 13.6142 13.5116 PRESSURE: 870200 271.421 -59.9752 -156.141 -59.9752 334.505 -139.03 -156.141 -139.029 52.0199 GPRESSURE: 870200 293.153 -112.346 -240.244 -44.3471 353.307 -75.2692 -70.137 -43.526 90.0842 PRESSAVG: 870200 -28.4732 -45.5205 -13.4691 -45.5205 50.1313 21.9142 -13.4691 21.9142 -18.3793 GPRESSAVG: 870200 -29.4639 -47.1577 -14.2095 -46.6462 49.437 22.899 -11.4755 22.8667 -17.0681 TIMING: 870200 CPU: 2738.57, 0.00317676/step Wall: 2738.57, 0.00317676/step, 3.64428 hours remaining, 236.562500 MB of memory in use. ENERGY: 870200 3975.5162 20635.7984 14400.3163 238.2469 -203610.7608 3074.8828 0.0000 0.0000 52188.2425 -109097.7576 299.9265 -161286.0002 -108738.4124 299.6586 219.3151 245.5148 762016.6567 1.0929 0.9684 PRESSURE: 870400 -90.7841 -162.528 -249.692 -162.528 -24.6431 -110.197 -249.692 -110.197 340.985 GPRESSURE: 870400 -16.3645 -222.662 -321.28 -194.384 -46.9662 -103.019 -275.028 -59.6401 375.413 PRESSAVG: 870400 -2.74673 -78.0008 -5.42733 -78.0008 19.7026 34.4084 -5.42746 34.4084 22.1889 GPRESSAVG: 870400 -2.08054 -77.9771 -4.85973 -77.2231 18.4074 31.5621 -5.94026 36.3891 22.7439 TIMING: 870400 CPU: 2739.21, 0.00317269/step Wall: 2739.21, 0.00317269/step, 3.63943 hours remaining, 236.562500 MB of memory in use. ENERGY: 870400 4033.5130 20703.6847 14514.3118 246.6759 -203369.9904 2490.5420 0.0000 0.0000 51989.8946 -109391.3684 298.7866 -161381.2630 -109030.0417 300.0297 75.1859 104.0273 761233.8227 13.0483 13.0236 PRESSURE: 870600 -50.1882 -30.0854 24.7628 -30.0855 366.224 -57.9854 24.7625 -57.9864 464.309 GPRESSURE: 870600 14.6458 -10.791 75.8305 5.91392 427.24 -40.865 13.0683 9.66608 410.207 PRESSAVG: 870600 48.6327 -66.5095 -1.8274 -66.5095 15.9279 13.1136 -1.82742 13.1136 20.3886 GPRESSAVG: 870600 48.8313 -65.8512 -0.762495 -66.3583 16.974 14.5276 -1.9315 11.5403 19.2995 TIMING: 870600 CPU: 2739.84, 0.00316577/step Wall: 2739.84, 0.00316577/step, 3.63131 hours remaining, 236.562500 MB of memory in use. ENERGY: 870600 3867.1503 20507.2628 14477.1933 245.2534 -203443.3875 2744.4246 0.0000 0.0000 52223.8684 -109378.2348 300.1313 -161602.1031 -109006.3088 299.4176 260.1150 284.0308 761723.5695 28.3164 28.3683 PRESSURE: 870800 -202.679 -163.856 -135.378 -163.857 -449.627 -64.4372 -135.379 -64.4365 -228.972 GPRESSURE: 870800 -275.784 -101.945 -107.644 -232.979 -331.585 -41.1751 -91.5459 -56.6291 -196.143 PRESSAVG: 870800 29.5829 -11.051 -21.4539 -11.051 -16.7071 -25.4234 -21.4539 -25.4234 5.17194 GPRESSAVG: 870800 28.5091 -12.1459 -20.0359 -10.7925 -17.8225 -24.1923 -21.7494 -24.2877 6.61836 TIMING: 870800 CPU: 2740.48, 0.00320388/step Wall: 2740.48, 0.00320388/step, 3.67485 hours remaining, 236.562500 MB of memory in use. ENERGY: 870800 3945.1705 20645.7559 14471.9406 257.0314 -203196.2789 2410.1024 0.0000 0.0000 52073.6086 -109392.6695 299.2677 -161466.2781 -109029.1401 299.6938 -293.7594 -267.8377 761852.6364 6.0159 5.7683 PRESSURE: 871000 -255.392 83.1947 194.068 83.1948 -213.251 23.1539 194.068 23.1543 261.657 GPRESSURE: 871000 -120.854 -15.6235 196.052 88.9568 -309.371 87.407 237.637 -84.9423 296.81 PRESSAVG: 871000 26.2343 -4.44435 -48.847 -4.44436 -39.7051 -24.6387 -48.8469 -24.6387 -20.4998 GPRESSAVG: 871000 26.2021 -2.55488 -51.5076 -4.86397 -38.7344 -25.3637 -48.8229 -26.2459 -21.4159 TIMING: 871000 CPU: 2741.12, 0.00318942/step Wall: 2741.12, 0.00318942/step, 3.65809 hours remaining, 236.562500 MB of memory in use. ENERGY: 871000 3965.4655 20670.8176 14408.0477 256.1610 -203566.3237 2553.0953 0.0000 0.0000 52240.5494 -109472.1872 300.2272 -161712.7365 -109098.5895 299.5068 -68.9950 -44.4716 759991.3788 -11.3235 -11.3161 PRESSURE: 871200 -220.768 -89.9406 62.1427 -89.9399 -108.883 -70.2631 62.1436 -70.2631 -20.9455 GPRESSURE: 871200 -88.4861 -216.062 40.96 6.38117 -105.749 -87.1712 163.23 -15.9524 -64.5008 PRESSAVG: 871200 3.56726 -28.7627 54.5853 -28.7627 3.6003 -25.9373 54.5853 -25.9373 21.8024 GPRESSAVG: 871200 5.34454 -30.7192 54.7883 -27.2118 2.91954 -27.3468 53.5859 -24.0828 20.4062 TIMING: 871200 CPU: 2741.75, 0.00316033/step Wall: 2741.75, 0.00316033/step, 3.62455 hours remaining, 236.562500 MB of memory in use. ENERGY: 871200 3892.5591 20541.1005 14493.8090 232.9968 -203043.8034 2335.4568 0.0000 0.0000 52035.5908 -109512.2904 299.0493 -161547.8811 -109141.9797 298.9448 -116.8652 -86.2452 759809.5379 9.6567 9.5568 PRESSURE: 871400 -180.321 131.395 -44.9496 131.394 -590.976 99.3106 -44.9505 99.3104 -196.5 GPRESSURE: 871400 -242.282 170.276 -15.2357 29.2443 -485.348 130.225 95.7241 69.5457 -157.878 PRESSAVG: 871400 -40.8377 -64.4377 -4.71496 -64.4378 32.6088 -12.4063 -4.71498 -12.4062 -15.7142 GPRESSAVG: 871400 -42.1509 -63.7784 -2.45394 -66.2983 32.8933 -10.6314 -4.43966 -13.6141 -14.8705 TIMING: 871400 CPU: 2742.38, 0.00314855/step Wall: 2742.38, 0.00314855/step, 3.61086 hours remaining, 236.562500 MB of memory in use. ENERGY: 871400 3970.7537 20412.7230 14499.9720 240.3370 -203223.6687 2400.1307 0.0000 0.0000 52022.2706 -109677.4818 298.9727 -161699.7524 -109312.9865 299.6672 -322.5988 -295.1696 761307.0404 -7.9810 -8.0427 PRESSURE: 871600 -343.395 -97.817 -291.547 -97.8168 -432.982 92.4635 -291.547 92.4646 44.596 GPRESSURE: 871600 -315.169 -66.6948 -362.532 -64.5369 -425.942 36.5513 -151.609 96.8529 82.2926 PRESSAVG: 871600 -28.3299 -59.4542 -23.0041 -59.4542 50.7776 8.74484 -23.0041 8.74486 -4.99371 GPRESSAVG: 871600 -30.3094 -58.263 -24.4281 -58.168 50.8057 7.42755 -21.1358 8.57994 -3.57288 TIMING: 871600 CPU: 2743.02, 0.00317716/step Wall: 2743.02, 0.00317716/step, 3.64349 hours remaining, 236.562500 MB of memory in use. ENERGY: 871600 3941.6542 20503.9852 14464.9136 244.8699 -202970.2828 2132.4550 0.0000 0.0000 52095.0807 -109587.3242 299.3911 -161682.4049 -109221.6691 299.4973 -243.9272 -219.6062 761179.8307 5.8180 5.6411 PRESSURE: 871800 -279.976 357.74 160.651 357.739 -402.853 -28.9735 160.651 -28.9735 320.79 GPRESSURE: 871800 -217.834 280.607 175.4 254.959 -375.114 14.7335 180.476 -14.9689 303.56 PRESSAVG: 871800 -41.3051 -46.1081 -3.64424 -46.1081 21.2219 -27.6965 -3.64422 -27.6965 23.6526 GPRESSAVG: 871800 -40.2925 -45.9382 -1.68564 -47.4546 20.6704 -28.3005 -6.70937 -25.6631 23.1005 TIMING: 871800 CPU: 2743.65, 0.0031661/step Wall: 2743.65, 0.0031661/step, 3.63063 hours remaining, 236.562500 MB of memory in use. ENERGY: 871800 3913.6629 20505.2293 14496.2657 252.4349 -203223.1500 2452.1032 0.0000 0.0000 51850.0571 -109753.3967 297.9830 -161603.4538 -109390.0431 298.8643 -120.6796 -96.4627 762577.4902 1.1898 1.1595 PRESSURE: 872000 -55.1552 -38.3093 72.3692 -38.3084 299.364 95.4915 72.3697 95.4913 -103.648 GPRESSURE: 872000 -59.7822 48.0223 98.1575 -115.759 401.784 -2.23976 102.404 199.02 -116.115 PRESSAVG: 872000 -19.4869 -38.6455 53.1071 -38.6455 18.3175 4.11255 53.1071 4.11266 -3.63949 GPRESSAVG: 872000 -19.7076 -39.274 49.7384 -38.4967 18.5467 2.81528 55.0737 4.22225 -4.04377 TIMING: 872000 CPU: 2744.28, 0.00315395/step Wall: 2744.28, 0.00315395/step, 3.61653 hours remaining, 236.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 872000 3993.0488 20639.6314 14419.2971 241.1740 -203678.4807 2818.0345 0.0000 0.0000 51951.3778 -109615.9171 298.5653 -161567.2949 -109264.3652 298.6052 46.8535 75.2954 760088.0955 -1.6030 -1.7349 PRESSURE: 872200 271.286 48.3535 -95.0741 48.3535 10.2011 6.23571 -95.0745 6.23564 317.021 GPRESSURE: 872200 372.008 67.6878 -116.973 -10.3245 -76.6783 37.4044 -55.2754 7.31495 384.863 PRESSAVG: 872200 41.1063 -20.9811 45.0036 -20.9811 -28.5474 -25.6708 45.0036 -25.6708 -11.1011 GPRESSAVG: 872200 41.0239 -21.3738 47.6606 -21.2015 -28.5947 -20.6524 44.2636 -27.8496 -10.8693 TIMING: 872200 CPU: 2744.91, 0.00316025/step Wall: 2744.91, 0.00316025/step, 3.62358 hours remaining, 236.562500 MB of memory in use. ENERGY: 872200 3951.4286 20481.5891 14449.2730 244.5826 -203395.1627 2516.0083 0.0000 0.0000 52077.6259 -109674.6551 299.2908 -161752.2811 -109302.0605 299.1625 199.5026 226.7308 759741.2032 0.4859 0.5200 LDB: ============= START OF LOAD BALANCING ============== 2757.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2757.31 LDB: =============== DONE WITH MIGRATION ================ 2757.32 LDB: ============= START OF LOAD BALANCING ============== 2757.63 LDB: Largest compute 7069 load 0.034638 is 17.7% of average load 0.195905 LDB: Average compute 0.004375 is 2.2% of average load 0.195905 LDB: TIME 2757.64 LOAD: AVG 0.195905 MAX 0.217133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 2757.64 LOAD: AVG 0.195905 MAX 0.217133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 2757.64 LOAD: AVG 0.195905 MAX 0.217133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 2757.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2757.64 PRESSURE: 872400 -399.527 -65.1413 -241.061 -65.1411 -117.775 -171.844 -241.061 -171.844 339.304 GPRESSURE: 872400 -355.036 -222.116 -180.43 -23.3512 -63.9867 -177.053 -180.758 -138.142 324.726 PRESSAVG: 872400 82.325 13.2885 5.07866 13.2886 -77.8011 21.5632 5.07864 21.5633 31.2312 GPRESSAVG: 872400 82.3239 15.2226 5.69114 12.1719 -78.3554 19.4478 4.48875 20.9661 31.8474 TIMING: 872400 CPU: 2745.56, 0.00324173/step Wall: 2745.56, 0.00324173/step, 3.71683 hours remaining, 236.007812 MB of memory in use. ENERGY: 872400 3908.9462 20613.5282 14413.9608 240.5162 -203145.7294 2643.5236 0.0000 0.0000 51830.0125 -109495.2419 297.8678 -161325.2544 -109145.4386 298.5710 -59.3326 -31.4322 760629.9947 11.9184 11.9387 PRESSURE: 872600 -278.025 119.093 -159.937 119.092 -254.353 133.267 -159.936 133.267 -181.706 GPRESSURE: 872600 -308.553 104.312 -95.1667 111.971 -245.834 73.7028 -210.16 109.55 -81.6981 PRESSAVG: 872600 15.4409 -33.8737 -6.49034 -33.8737 -35.5708 6.67927 -6.49036 6.67928 19.64 GPRESSAVG: 872600 17.0738 -33.7751 -7.31882 -33.7958 -35.7191 5.2759 -6.58858 9.1779 18.8859 TIMING: 872600 CPU: 2746.19, 0.0031643/step Wall: 2746.19, 0.0031643/step, 3.62787 hours remaining, 236.210938 MB of memory in use. ENERGY: 872600 4035.8079 20396.0351 14494.4981 250.9586 -202624.4627 2130.5956 0.0000 0.0000 51937.9776 -109378.5897 298.4883 -161316.5674 -109012.0183 298.6133 -238.0280 -212.0283 760841.9475 -0.1633 0.0802 PRESSURE: 872800 96.0547 55.4749 119.075 55.4743 -121.901 66.7572 119.074 66.7578 -619.101 GPRESSURE: 872800 129.298 121.631 130.313 -4.12902 -175.86 43.3035 109.072 22.2177 -514.745 PRESSAVG: 872800 33.6802 -13.1502 0.590208 -13.1501 -55.1268 36.2002 0.590266 36.2002 5.82898 GPRESSAVG: 872800 31.902 -14.3205 0.947933 -12.6462 -54.6868 35.5853 0.389807 35.331 6.91288 TIMING: 872800 CPU: 2746.82, 0.00315174/step Wall: 2746.82, 0.00315174/step, 3.6133 hours remaining, 236.210938 MB of memory in use. ENERGY: 872800 3961.4172 20426.5674 14453.0443 254.9144 -203151.9186 2561.3115 0.0000 0.0000 52179.6420 -109315.0219 299.8771 -161494.6639 -108948.1013 298.9496 -214.9825 -187.1021 761094.9498 -5.2059 -5.2906 PRESSURE: 873000 -64.702 3.96188 39.4082 3.96196 -155.595 96.1382 39.408 96.1386 8.04246 GPRESSURE: 873000 -65.8109 -12.4899 39.8332 0.18899 -61.9525 105.979 73.1451 -10.6944 8.81063 PRESSAVG: 873000 -62.9311 -17.6866 23.168 -17.6866 78.9369 -10.7337 23.1679 -10.7337 -3.78056 GPRESSAVG: 873000 -61.9691 -17.5373 23.8363 -17.1818 78.0606 -10.0666 23.7746 -10.9415 -4.16043 TIMING: 873000 CPU: 2747.46, 0.00317919/step Wall: 2747.46, 0.00317919/step, 3.64458 hours remaining, 236.210938 MB of memory in use. ENERGY: 873000 4003.3459 20456.7738 14400.9590 256.2816 -203064.3311 2523.1208 0.0000 0.0000 52047.5854 -109376.2646 299.1182 -161423.8500 -109011.2401 299.1497 -70.7517 -39.6509 761256.3534 4.0751 3.9770 PRESSURE: 873200 81.7569 -53.3497 30.1672 -53.3501 -178.607 41.8055 30.1672 41.8059 -115.785 GPRESSURE: 873200 121.707 -70.5394 -9.14501 -137.794 -122.04 93.6005 121.767 -31.1311 -127.797 PRESSAVG: 873200 -43.7826 -37.9799 4.19956 -37.98 58.5411 -13.9298 4.19952 -13.9298 -12.415 GPRESSAVG: 873200 -45.5518 -37.3848 2.53667 -39.0459 60.7054 -12.7745 6.0374 -13.9568 -13.5915 TIMING: 873200 CPU: 2748.09, 0.00317112/step Wall: 2748.09, 0.00317112/step, 3.63516 hours remaining, 236.210938 MB of memory in use. ENERGY: 873200 4015.4273 20480.6160 14497.6342 223.6786 -203445.7134 2759.0725 0.0000 0.0000 51992.8109 -109476.4740 298.8034 -161469.2849 -109111.0940 298.9845 -70.8784 -42.7101 762564.0824 0.7812 0.5207 PRESSURE: 873400 -306.637 7.95638 -78.8919 7.95608 -80.5769 147.76 -78.8926 147.76 -41.9598 GPRESSURE: 873400 -288.817 55.5608 -152.556 44.2944 -26.9893 84.7467 8.72376 160.283 -36.8885 PRESSAVG: 873400 3.43033 -0.191916 21.2842 -0.191912 20.8996 5.42349 21.2842 5.42355 6.74967 GPRESSAVG: 873400 5.83323 -1.1915 20.9916 1.85917 19.7545 4.43395 19.8259 5.61839 4.7769 TIMING: 873400 CPU: 2748.73, 0.00317577/step Wall: 2748.73, 0.00317577/step, 3.64032 hours remaining, 236.210938 MB of memory in use. ENERGY: 873400 3985.2805 20304.0518 14403.5201 262.3458 -203182.0738 2727.5147 0.0000 0.0000 52113.8239 -109385.5371 299.4989 -161499.3610 -109018.1867 299.2265 -143.0581 -117.5649 762445.1158 10.3599 10.1216 PRESSURE: 873600 117.3 93.7884 3.48401 93.7884 -130.369 -3.25102 3.48388 -3.25074 182.398 GPRESSURE: 873600 121.653 26.0693 48.4234 81.768 -35.1258 48.3129 -54.634 -16.941 158.103 PRESSAVG: 873600 37.8261 -18.0236 17.7368 -18.0236 0.146707 -29.8376 17.7368 -29.8376 8.09931 GPRESSAVG: 873600 35.9476 -16.3161 19.1687 -21.2368 -1.54292 -29.1834 17.2675 -30.5251 11.2075 TIMING: 873600 CPU: 2749.36, 0.00315039/step Wall: 2749.36, 0.00315039/step, 3.61105 hours remaining, 236.210938 MB of memory in use. ENERGY: 873600 4022.8549 20614.5010 14455.0897 246.6888 -203497.4094 2699.2267 0.0000 0.0000 52176.4218 -109282.6265 299.8586 -161459.0483 -108914.6390 299.7587 56.4430 81.5434 761312.4221 15.3574 15.2041 PRESSURE: 873800 -185.056 -155.976 -12.051 -155.976 -145.978 -57.8768 -12.0499 -57.8766 493.798 GPRESSURE: 873800 -157.841 -163.154 -65.392 -142.816 -117.1 -60.8289 113.078 -74.1257 513.813 PRESSAVG: 873800 -16.6316 -79.493 -10.9018 -79.493 1.78127 -32.2563 -10.9018 -32.2563 -10.3993 GPRESSAVG: 873800 -16.3353 -81.3881 -11.2635 -77.4354 2.27957 -32.6495 -12.0044 -32.321 -10.4712 TIMING: 873800 CPU: 2749.99, 0.00314522/step Wall: 2749.99, 0.00314522/step, 3.60494 hours remaining, 236.210938 MB of memory in use. ENERGY: 873800 4011.1735 20664.4305 14456.0627 241.6876 -203566.5775 2819.7751 0.0000 0.0000 52054.1482 -109319.3000 299.1559 -161373.4482 -108965.4351 299.7711 54.2548 79.6243 761841.2546 -8.4165 -8.1757 PRESSURE: 874000 -1.28837 37.3452 -91.9191 37.3452 -225.1 -147.615 -91.9195 -147.615 -31.7054 GPRESSURE: 874000 -44.1478 58.7444 -167.253 -26.3945 -207.147 -53.6211 -29.5486 -54.6667 59.6516 PRESSAVG: 874000 10.4201 -37.3152 14.0973 -37.3153 -16.0541 4.13994 14.0973 4.13994 -8.54083 GPRESSAVG: 874000 10.0563 -36.1975 13.1629 -36.007 -17.2398 5.89816 14.9227 5.14372 -7.3633 TIMING: 874000 CPU: 2750.62, 0.00315342/step Wall: 2750.62, 0.00315342/step, 3.61417 hours remaining, 236.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 874000 3997.5660 20589.7599 14471.8796 230.6588 -202827.1139 2524.1469 0.0000 0.0000 51729.5841 -109283.5186 297.2906 -161013.1026 -108924.7893 299.6366 -86.0314 -63.8811 764077.6761 -4.7249 -4.8489 PRESSURE: 874200 -423.231 -241.496 252.592 -241.496 534.122 31.8087 252.592 31.8082 -118.17 GPRESSURE: 874200 -312.412 -205.423 257.484 -306.95 456.189 3.57056 142.899 -36.1089 -78.1772 PRESSAVG: 874200 20.1022 -31.1921 45.0532 -31.1921 -7.27017 -47.7453 45.0532 -47.7452 13.929 GPRESSAVG: 874200 21.0584 -31.6208 46.5012 -34.2282 -7.0108 -49.0727 45.7893 -51.1447 12.8041 TIMING: 874200 CPU: 2751.25, 0.00315499/step Wall: 2751.25, 0.00315499/step, 3.61579 hours remaining, 236.210938 MB of memory in use. ENERGY: 874200 3973.2132 20538.4488 14474.3266 242.7064 -203227.6387 2575.4860 0.0000 0.0000 52288.9740 -109134.4837 300.5055 -161423.4578 -108772.3876 299.5243 -2.4262 21.8665 760821.6401 8.9203 8.9506 PRESSURE: 874400 -88.6087 40.5284 14.9732 40.5287 -160.799 -0.298014 14.9738 -0.299858 385.448 GPRESSURE: 874400 -128.454 8.11706 59.8199 -25.2679 -71.8191 83.1285 -71.0698 -39.2989 399.103 PRESSAVG: 874400 -19.0379 -23.4 14.7943 -23.4 -2.61515 -24.4236 14.7944 -24.4236 -5.35371 GPRESSAVG: 874400 -18.7014 -24.2412 13.8502 -20.8749 -4.12583 -25.4379 16.0027 -21.4944 -4.27154 TIMING: 874400 CPU: 2751.88, 0.00314935/step Wall: 2751.88, 0.00314935/step, 3.60915 hours remaining, 236.210938 MB of memory in use. ENERGY: 874400 3975.8996 20718.8153 14503.5202 247.9144 -203279.1702 2806.7445 0.0000 0.0000 52013.8701 -109012.4062 298.9244 -161026.2762 -108661.3971 299.7354 45.3466 66.2767 763501.3911 -9.0022 -9.0329 PRESSURE: 874600 119.786 -165.415 5.0571 -165.414 13.718 -12.0491 5.05686 -12.0492 174.854 GPRESSURE: 874600 127.398 -181.595 5.56206 -78.2342 53.7253 -1.84883 20.8021 17.6498 197.341 PRESSAVG: 874600 20.9888 -30.7326 33.9904 -30.7326 19.9686 -11.8946 33.9904 -11.8946 -2.4148 GPRESSAVG: 874600 20.6574 -28.8397 35.5203 -33.2774 21.4632 -10.7485 33.8075 -15.1185 -4.00892 TIMING: 874600 CPU: 2752.51, 0.00314016/step Wall: 2752.51, 0.00314016/step, 3.59844 hours remaining, 236.210938 MB of memory in use. ENERGY: 874600 3951.9760 20543.4260 14461.0311 270.6205 -203004.2411 2643.7810 0.0000 0.0000 52023.2021 -109110.2045 298.9781 -161133.4065 -108745.7658 300.1916 102.7858 126.1548 762474.3478 12.8475 12.7039 PRESSURE: 874800 583.579 182.501 -155.405 182.501 77.8092 -357.12 -155.404 -357.12 54.0167 GPRESSURE: 874800 543.22 197.638 -103.745 175.424 162.421 -302.295 -118.25 -341.615 66.7541 PRESSAVG: 874800 18.2104 -12.3536 5.5784 -12.3536 -23.2926 -22.786 5.57841 -22.7859 14.1925 GPRESSAVG: 874800 18.2138 -15.4055 6.18151 -9.7343 -23.3522 -22.2529 2.0066 -20.834 14.079 TIMING: 874800 CPU: 2753.14, 0.00315377/step Wall: 2753.14, 0.00315377/step, 3.61387 hours remaining, 236.210938 MB of memory in use. ENERGY: 874800 3985.8589 20525.5715 14438.6788 238.4574 -203487.4945 2793.8608 0.0000 0.0000 52149.6037 -109355.4635 299.7045 -161505.0673 -108992.9323 299.6550 238.4682 257.4649 761255.7522 3.0368 2.9802 PRESSURE: 875000 -258.055 61.8739 42.5852 61.8735 -110.531 54.8522 42.5856 54.8513 -53.0396 GPRESSURE: 875000 -148.436 18.6814 -24.8251 102.467 -210.762 124.043 56.2527 71.3914 12.7754 PRESSAVG: 875000 78.0817 -7.17493 35.8725 -7.17499 -64.1526 -8.50014 35.8726 -8.50017 -6.72068 GPRESSAVG: 875000 78.0779 -4.30217 34.4611 -8.65786 -63.8009 -9.37505 38.7608 -8.56544 -7.00904 TIMING: 875000 CPU: 2753.77, 0.00316098/step Wall: 2753.77, 0.00316098/step, 3.62196 hours remaining, 236.210938 MB of memory in use. ENERGY: 875000 3933.8265 20482.5237 14486.1488 238.6891 -203273.0505 2614.3262 0.0000 0.0000 52284.2033 -109233.3329 300.4780 -161517.5362 -108855.8162 299.6464 -140.5417 -115.4740 762000.5866 2.4028 2.4226 PRESSURE: 875200 -36.9608 35.2681 13.3914 35.2681 -129.793 19.3945 13.3917 19.3945 -105.758 GPRESSURE: 875200 10.6829 -104.287 26.3969 56.0045 20.305 145.739 -47.2199 -35.6764 -219.689 PRESSAVG: 875200 25.6407 22.1803 10.2355 22.1803 -47.734 8.39676 10.2355 8.39682 5.66103 GPRESSAVG: 875200 25.7983 20.8384 10.1597 22.2711 -47.7108 9.05792 8.15518 6.6712 5.8776 TIMING: 875200 CPU: 2754.4, 0.00314104/step Wall: 2754.4, 0.00314104/step, 3.59894 hours remaining, 236.210938 MB of memory in use. ENERGY: 875200 4001.9186 20335.1819 14435.4642 242.9404 -202847.4225 2661.4365 0.0000 0.0000 52073.2345 -109097.2465 299.2656 -161170.4810 -108730.5652 300.1212 -90.8371 -62.9003 762140.7055 -5.4774 -5.3449 PRESSURE: 875400 180.966 -165.992 63.4649 -165.992 369.294 -219.622 63.4646 -219.623 43.2111 GPRESSURE: 875400 193.093 -124.697 189.16 -154.528 413.266 -166.248 82.3341 -227.601 60.0589 PRESSAVG: 875400 53.4447 -26.1 29.9785 -26.1 -16.8573 2.33844 29.9785 2.33843 19.0853 GPRESSAVG: 875400 53.6795 -25.3659 30.8432 -23.0525 -17.5713 2.17429 29.178 5.55382 19.2453 TIMING: 875400 CPU: 2755.03, 0.00314004/step Wall: 2755.03, 0.00314004/step, 3.59761 hours remaining, 236.210938 MB of memory in use. ENERGY: 875400 3931.5964 20488.5764 14507.2036 243.4021 -203487.3969 2775.5639 0.0000 0.0000 52163.3026 -109377.7518 299.7832 -161541.0544 -109004.5751 299.7503 197.8240 222.1392 760848.6044 18.5576 18.4512 PRESSURE: 875600 105.733 265.338 -40.8509 265.338 49.573 321.258 -40.8513 321.258 62.146 GPRESSURE: 875600 111.036 113.895 -77.1672 215.45 35.3907 317.978 -103.736 130.069 138.532 PRESSAVG: 875600 1.13479 -24.2367 -3.09162 -24.2367 12.3384 -23.8166 -3.09164 -23.8166 3.87824 GPRESSAVG: 875600 2.09314 -25.3815 -4.85085 -25.0225 10.8811 -24.4574 -2.44712 -25.1922 4.0953 TIMING: 875600 CPU: 2755.66, 0.00314245/step Wall: 2755.66, 0.00314245/step, 3.6002 hours remaining, 236.210938 MB of memory in use. ENERGY: 875600 4028.9541 20564.3742 14455.4141 256.5674 -203390.0436 2725.2101 0.0000 0.0000 51880.1664 -109479.3574 298.1560 -161359.5238 -109118.4471 299.2277 72.4839 94.9864 761757.6384 5.7838 5.6899 PRESSURE: 875800 -226.737 -90.6021 135.181 -90.602 -233.375 -80.3483 135.181 -80.3482 33.1272 GPRESSURE: 875800 -184.026 -55.2998 216.097 -76.6096 -167.565 -64.5551 170.694 20.9235 10.3641 PRESSAVG: 875800 64.3474 -10.9563 -0.878132 -10.9563 -57.3039 -4.96683 -0.878143 -4.96686 8.73336 GPRESSAVG: 875800 62.7425 -11.1947 -1.5499 -13.5397 -56.3872 -4.3504 1.27795 -4.12042 9.35803 TIMING: 875800 CPU: 2756.28, 0.00312186/step Wall: 2756.28, 0.00312186/step, 3.57643 hours remaining, 236.210938 MB of memory in use. ENERGY: 875800 3941.9928 20368.9563 14452.5828 269.3293 -203140.9250 2601.5772 0.0000 0.0000 52107.6640 -109398.8226 299.4635 -161506.4867 -109032.7005 298.7414 -142.3285 -113.7424 763094.2814 5.2590 5.2378 PRESSURE: 876000 -8.81127 20.4249 -198.605 20.4251 -37.5729 -119.294 -198.604 -119.296 -130.401 GPRESSURE: 876000 24.4107 -33.4918 -120.712 -25.4313 21.1488 -105.027 -313.198 -176.102 -132.873 PRESSAVG: 876000 16.7883 -38.5051 43.6532 -38.5052 5.41563 19.9041 43.6532 19.9041 -4.76107 GPRESSAVG: 876000 16.3696 -40.0422 46.0151 -36.4298 6.60047 18.9556 42.1281 18.7572 -5.55245 TIMING: 876000 CPU: 2756.91, 0.00314696/step Wall: 2756.91, 0.00314696/step, 3.60501 hours remaining, 236.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 876000 4015.6581 20586.3811 14426.2132 244.8600 -203034.9545 2573.2791 0.0000 0.0000 51898.8328 -109289.7303 298.2633 -161188.5630 -108929.0271 299.2237 -58.9284 -29.1045 762670.8239 5.8143 5.8059 PRESSURE: 876200 120.213 27.4507 -226.772 27.451 -286.201 131.45 -226.772 131.449 12.7732 GPRESSURE: 876200 111.396 101.381 -286.818 -23.8399 -198.936 148.429 -172.032 180.734 23.6557 PRESSAVG: 876200 11.5197 -3.85711 16.1644 -3.85714 -3.05006 -15.066 16.1643 -15.0659 18.3253 GPRESSAVG: 876200 12.1879 -2.2392 17.1616 -4.56411 -3.78682 -15.1776 14.2997 -12.8655 17.9033 TIMING: 876200 CPU: 2757.54, 0.00316234/step Wall: 2757.54, 0.00316234/step, 3.62246 hours remaining, 236.210938 MB of memory in use. ENERGY: 876200 4004.3835 20568.4360 14528.7966 227.3644 -203159.3682 2535.3962 0.0000 0.0000 51943.1755 -109351.8160 298.5181 -161294.9915 -108984.9140 299.1513 -51.0718 -21.2945 761374.8476 8.9316 8.7681 LDB: ============= START OF LOAD BALANCING ============== 2769.94 LDB: ============== END OF LOAD BALANCING =============== 2769.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2769.94 LDB: ============= START OF LOAD BALANCING ============== 2770.26 LDB: Largest compute 7077 load 0.033883 is 17.3% of average load 0.195962 LDB: Average compute 0.004367 is 2.2% of average load 0.195962 LDB: TIME 2770.26 LOAD: AVG 0.195962 MAX 0.217445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 234.258 MB LDB: TIME 2770.26 LOAD: AVG 0.195962 MAX 0.217445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 2770.26 LOAD: AVG 0.195962 MAX 0.217445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 2770.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2770.27 PRESSURE: 876400 -71.9324 -56.4376 -193.087 -56.4382 10.0168 -53.7475 -193.088 -53.7483 165.316 GPRESSURE: 876400 -24.1718 -54.6232 -214.776 -53.4183 60.8244 -110.402 -331.627 -62.4038 151.38 PRESSAVG: 876400 -44.0704 2.82107 32.0344 2.82105 46.2702 36.3848 32.0345 36.3848 -6.45255 GPRESSAVG: 876400 -44.3478 3.54084 30.1559 5.36649 45.9522 36.0282 32.9508 35.6392 -5.83358 TIMING: 876400 CPU: 2758.19, 0.00322974/step Wall: 2758.19, 0.00322974/step, 3.69948 hours remaining, 235.031250 MB of memory in use. ENERGY: 876400 3972.5737 20543.1410 14499.1622 230.8060 -202702.3186 2381.3990 0.0000 0.0000 51816.1528 -109259.0840 297.7881 -161075.2368 -108904.4111 298.9596 34.4667 62.6775 762397.2567 -1.4176 -1.4097 PRESSURE: 876600 -181.071 -210.864 47.3513 -210.863 -196.514 -140.329 47.3511 -140.328 -367.143 GPRESSURE: 876600 -149.576 -187.975 125.483 -133.03 -201.489 -197.355 1.19597 -115.941 -316.738 PRESSAVG: 876600 -31.6839 -23.2831 -44.2397 -23.2831 71.2782 28.9871 -44.2397 28.987 4.27563 GPRESSAVG: 876600 -32.6417 -25.0196 -44.0517 -23.846 71.898 28.9315 -42.1378 29.187 4.74799 TIMING: 876600 CPU: 2758.82, 0.00315252/step Wall: 2758.82, 0.00315252/step, 3.61086 hours remaining, 235.031250 MB of memory in use. ENERGY: 876600 4035.9765 20484.3228 14438.7261 247.2930 -203052.0657 2630.1262 0.0000 0.0000 52065.2428 -109150.3783 299.2197 -161215.6211 -108785.8568 299.9642 -248.2426 -222.6009 761934.8267 14.6233 14.6681 PRESSURE: 876800 -60.2944 78.012 20.7538 78.0117 -304.117 309.345 20.7547 309.345 -153.292 GPRESSURE: 876800 -52.1097 108.814 21.2634 130.884 -255.23 230.051 -44.9727 184.344 -120.573 PRESSAVG: 876800 -6.38176 -50.9972 24.9 -50.9972 18.749 16.8705 24.9001 16.8706 0.857942 GPRESSAVG: 876800 -4.91264 -49.2237 26.0219 -52.882 17.3088 17.1072 23.0146 16.381 1.18029 TIMING: 876800 CPU: 2759.45, 0.00316587/step Wall: 2759.45, 0.00316587/step, 3.62598 hours remaining, 235.031250 MB of memory in use. ENERGY: 876800 4094.2534 20709.1914 14465.4857 249.4496 -203179.7553 2636.1551 0.0000 0.0000 52219.1334 -108806.0868 300.1041 -161025.2202 -108442.3289 300.0603 -172.5676 -142.6376 762771.7243 4.4084 4.5255 PRESSURE: 877000 161.118 -40.3066 93.9536 -40.3072 -296.059 15.6835 93.9539 15.6841 -93.2637 GPRESSURE: 877000 260.022 -197.524 139.391 -71.9504 -273.977 -30.7145 215.781 -63.7941 -122.01 PRESSAVG: 877000 28.5547 -26.4734 72.4209 -26.4733 -38.4105 -9.25799 72.4209 -9.25796 -27.8254 GPRESSAVG: 877000 29.6603 -25.7502 71.8308 -26.1523 -37.3545 -7.93692 73.9416 -11.1267 -29.6677 TIMING: 877000 CPU: 2760.08, 0.00314343/step Wall: 2760.08, 0.00314342/step, 3.60009 hours remaining, 235.031250 MB of memory in use. ENERGY: 877000 4110.8402 20550.5191 14497.3623 246.8231 -203285.3522 2637.1204 0.0000 0.0000 52192.5230 -109050.1641 299.9511 -161242.6870 -108687.7026 300.2494 -76.0682 -45.3214 762284.7760 -12.5604 -12.4539 PRESSURE: 877200 556.982 -125.085 -8.50822 -125.086 -15.2663 38.8211 -8.5089 38.8199 485.479 GPRESSURE: 877200 565.214 -53.5666 43.0816 -60.1116 87.6958 47.1738 -20.6817 187.539 434.456 PRESSAVG: 877200 51.7055 -14.5616 -30.841 -14.5616 -70.7867 27.3161 -30.8411 27.3161 -30.8908 GPRESSAVG: 877200 49.809 -16.5568 -30.5853 -13.8103 -70.0963 26.1435 -32.91 32.3522 -29.9903 TIMING: 877200 CPU: 2760.71, 0.00314418/step Wall: 2760.71, 0.00314418/step, 3.60078 hours remaining, 235.031250 MB of memory in use. ENERGY: 877200 3972.9627 20534.2058 14498.1921 235.1810 -203143.9042 2659.0803 0.0000 0.0000 52161.6533 -109082.6290 299.7737 -161244.2823 -108721.5940 300.2278 342.3982 362.4551 760147.6749 -16.6573 -16.7592 PRESSURE: 877400 -143.857 57.7192 143.612 57.7189 26.1487 -66.2375 143.612 -66.2386 -4.40886 GPRESSURE: 877400 -83.6531 19.1228 69.8756 38.7848 63.7503 -28.4932 142.752 -220.394 -3.36148 PRESSAVG: 877400 19.0824 -17.2127 36.9867 -17.2127 -11.7185 -5.2029 36.9867 -5.20289 29.2485 GPRESSAVG: 877400 20.4687 -16.1411 37.1335 -18.4531 -11.9687 -5.3129 38.4688 -7.48478 28.6278 TIMING: 877400 CPU: 2761.34, 0.00313811/step Wall: 2761.34, 0.00313811/step, 3.59366 hours remaining, 235.031250 MB of memory in use. ENERGY: 877400 3986.3682 20582.3188 14444.2967 261.3067 -203293.7804 2634.3898 0.0000 0.0000 52240.8672 -109144.2330 300.2290 -161385.1002 -108794.8369 300.0658 -40.7056 -7.7548 760216.6709 12.2041 12.3759 PRESSURE: 877600 101.34 111.408 158.699 111.408 -82.4862 -31.2602 158.697 -31.2609 11.9197 GPRESSURE: 877600 72.1312 139.531 179.208 96.417 -25.8629 -44.2894 94.8742 76.2446 72.6488 PRESSAVG: 877600 -25.9457 -16.7457 14.2176 -16.7457 38.6391 -11.6015 14.2177 -11.6013 -13.2228 GPRESSAVG: 877600 -27.216 -17.0231 13.0621 -15.0408 37.9734 -10.8013 12.9704 -11.6668 -11.4801 TIMING: 877600 CPU: 2761.97, 0.00315312/step Wall: 2761.97, 0.00315312/step, 3.61068 hours remaining, 235.031250 MB of memory in use. ENERGY: 877600 3971.3811 20464.4318 14430.4213 225.4219 -203169.5376 2484.9163 0.0000 0.0000 52327.3768 -109265.5884 300.7262 -161592.9652 -108890.8954 300.1131 10.2577 39.6390 760885.6280 -0.1765 -0.2409 PRESSURE: 877800 163.163 -19.7131 -56.4316 -19.7136 290.335 35.3778 -56.4317 35.3781 171.246 GPRESSURE: 877800 247.211 -5.99384 -56.4008 -25.9807 261.75 60.1477 -50.859 43.1404 206.538 PRESSAVG: 877800 27.73 -69.6841 70.8938 -69.6841 -45.4175 -25.0813 70.8938 -25.0813 -19.4731 GPRESSAVG: 877800 29.2067 -70.0299 71.6259 -69.3871 -44.2716 -26.2985 71.3317 -24.0071 -21.2515 TIMING: 877800 CPU: 2762.6, 0.00315795/step Wall: 2762.6, 0.00315795/step, 3.61603 hours remaining, 235.031250 MB of memory in use. ENERGY: 877800 3980.7911 20622.5507 14500.8139 232.1382 -203282.8587 2538.6911 0.0000 0.0000 52086.4622 -109321.4115 299.3416 -161407.8737 -108960.3171 299.8085 208.2479 238.4994 760919.1758 -12.3869 -12.1055 PRESSURE: 878000 19.1029 71.8586 31.5864 71.8598 -69.6235 204.664 31.5857 204.665 281.278 GPRESSURE: 878000 8.00123 101.736 49.206 18.2705 49.4859 222.962 -4.01747 110.483 250.863 PRESSAVG: 878000 -31.3915 -63.0454 -0.432229 -63.0455 28.5873 19.6892 -0.432168 19.6891 2.54094 GPRESSAVG: 878000 -32.2165 -61.2313 0.315222 -64.2137 27.6868 20.0218 0.741648 18.131 4.52617 TIMING: 878000 CPU: 2763.23, 0.00313833/step Wall: 2763.23, 0.00313833/step, 3.59339 hours remaining, 235.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 878000 4006.7400 20564.4979 14445.2698 223.7678 -203198.3903 2576.4095 0.0000 0.0000 52117.6901 -109264.0154 299.5211 -161381.7055 -108900.0824 299.5733 76.9190 102.7834 761407.1269 -0.0878 -0.0012 PRESSURE: 878200 -233.688 7.65882 334.999 7.65859 -113.762 -59.7975 334.999 -59.797 99.202 GPRESSURE: 878200 -206.223 87.7838 342.966 47.4267 -67.6244 -61.3864 232.247 -47.7836 105.442 PRESSAVG: 878200 -18.0493 -65.0608 21.3209 -65.0607 33.4934 4.08017 21.3208 4.08014 1.658 GPRESSAVG: 878200 -17.6676 -66.0111 20.7876 -65.1458 34.5176 4.59189 21.1621 3.70101 0.180772 TIMING: 878200 CPU: 2763.86, 0.00315322/step Wall: 2763.86, 0.00315322/step, 3.61027 hours remaining, 235.031250 MB of memory in use. ENERGY: 878200 3972.2133 20593.8582 14404.1397 238.6604 -203234.1720 2599.0750 0.0000 0.0000 52038.9174 -109387.3081 299.0684 -161426.2255 -109026.4953 299.2875 -82.7494 -56.1351 761233.3187 5.7007 5.6769 PRESSURE: 878400 168.955 -36.7419 -104.969 -36.7416 251.638 -119.91 -104.968 -119.91 4.111 GPRESSURE: 878400 205.733 58.8099 -52.9712 -93.0651 308.905 -121.139 -82.3157 -96.0924 8.1873 PRESSAVG: 878400 28.3188 -21.7962 7.68031 -21.7962 -4.57656 16.4603 7.68042 16.4605 8.09 GPRESSAVG: 878400 27.5368 -21.7111 8.19699 -22.2498 -6.08799 17.0023 7.44565 14.9556 9.90649 TIMING: 878400 CPU: 2764.49, 0.00316003/step Wall: 2764.49, 0.00316003/step, 3.61788 hours remaining, 235.031250 MB of memory in use. ENERGY: 878400 3993.3013 20517.6075 14478.4491 254.9257 -203739.0499 2844.2831 0.0000 0.0000 52287.6315 -109362.8518 300.4977 -161650.4832 -109004.8417 299.5163 141.5681 174.2750 758941.1912 10.6107 10.4518 PRESSURE: 878600 -25.8176 14.9522 188.017 14.9518 -110.333 156.9 188.017 156.9 -4.81104 GPRESSURE: 878600 -10.8511 -58.3178 233.004 111.966 -67.9347 128.944 88.1338 42.1988 41.3307 PRESSAVG: 878600 -13.0246 39.1346 38.6886 39.1345 7.98365 -10.5507 38.6886 -10.5507 -13.6575 GPRESSAVG: 878600 -12.978 36.1573 38.8169 42.291 8.32817 -12.2729 37.0249 -8.8319 -13.6194 TIMING: 878600 CPU: 2765.12, 0.0031487/step Wall: 2765.12, 0.0031487/step, 3.60474 hours remaining, 235.031250 MB of memory in use. ENERGY: 878600 4031.9045 20424.0266 14425.8137 221.2578 -203266.4851 2553.1164 0.0000 0.0000 52177.7860 -109432.5800 299.8665 -161610.3661 -109068.8761 299.3172 -46.9873 -12.4851 760845.9402 -6.2328 -6.0897 PRESSURE: 878800 -66.8865 -50.421 158.062 -50.4212 -70.856 -317.596 158.062 -317.597 356.784 GPRESSURE: 878800 8.04932 -70.1646 182.977 -73.6793 19.1741 -222.663 299.021 -150.633 262.352 PRESSAVG: 878800 -29.7182 -3.92455 37.3805 -3.92457 -7.28672 -10.3205 37.3805 -10.3206 12.8647 GPRESSAVG: 878800 -29.47 -1.30871 36.7038 -6.45955 -7.53391 -7.65151 39.5118 -10.7635 11.892 TIMING: 878800 CPU: 2765.75, 0.00316487/step Wall: 2765.75, 0.00316487/step, 3.62307 hours remaining, 235.031250 MB of memory in use. ENERGY: 878800 4051.0075 20357.0541 14521.2090 262.3122 -203637.2053 2669.0476 0.0000 0.0000 52074.2995 -109702.2754 299.2717 -161776.5749 -109332.6282 299.2438 73.0139 96.5252 761387.4331 -8.0468 -8.3707 PRESSURE: 879000 69.9295 126.135 -150.53 126.135 190.018 -127.35 -150.53 -127.351 212.657 GPRESSURE: 879000 141.752 8.77369 -96.1578 190.322 178.644 -81.0369 -71.4864 -146.197 239.379 PRESSAVG: 879000 -2.97727 -47.8731 51.0015 -47.8731 17.6923 -20.2972 51.0014 -20.2972 1.77946 GPRESSAVG: 879000 -2.94295 -47.2431 49.9862 -47.8283 17.1188 -21.5825 51.16 -19.8564 2.71288 TIMING: 879000 CPU: 2766.39, 0.00317696/step Wall: 2766.39, 0.00317696/step, 3.63674 hours remaining, 235.031250 MB of memory in use. ENERGY: 879000 3987.9051 20546.8843 14405.9995 213.5995 -203994.0222 2715.6300 0.0000 0.0000 52143.2657 -109980.7382 299.6681 -162124.0038 -109614.8869 298.4911 157.5346 186.5919 760396.9994 5.4982 5.6296 PRESSURE: 879200 122.089 0.938797 -107.463 0.939258 158.939 -229.766 -107.464 -229.765 -201.996 GPRESSURE: 879200 45.2975 -81.9405 -73.6664 50.7936 208.994 -142.948 -4.00215 -273.751 -117.22 PRESSAVG: 879200 -23.1799 -73.7173 -38.9651 -73.7174 75.567 25.4293 -38.9651 25.4292 9.79761 GPRESSAVG: 879200 -22.929 -75.1649 -38.0198 -73.6262 75.2494 24.1947 -38.5435 24.4231 9.18632 TIMING: 879200 CPU: 2767.02, 0.00316058/step Wall: 2767.02, 0.00316058/step, 3.61781 hours remaining, 235.031250 MB of memory in use. ENERGY: 879200 3973.9076 20709.2861 14423.5514 220.3343 -203457.7158 2559.0136 0.0000 0.0000 51886.8299 -109684.7929 298.1943 -161571.6228 -109323.6872 298.7192 26.3440 45.6906 760647.1213 20.7282 20.5023 PRESSURE: 879400 47.8332 87.81 130.815 87.811 -341.458 119.562 130.815 119.562 192.932 GPRESSURE: 879400 14.1315 11.4876 134.142 153.148 -206.707 218.988 85.5613 100.911 173.106 PRESSAVG: 879400 13.9962 -53.9996 -13.696 -53.9996 -39.7694 -5.92797 -13.696 -5.92797 11.9728 GPRESSAVG: 879400 13.3706 -54.2926 -14.2395 -55.0512 -37.7337 -4.78526 -14.7929 -5.33814 10.9543 TIMING: 879400 CPU: 2767.65, 0.00315786/step Wall: 2767.65, 0.00315786/step, 3.61452 hours remaining, 235.031250 MB of memory in use. ENERGY: 879400 3955.3223 20629.1968 14502.4642 256.7136 -203371.9588 2534.2673 0.0000 0.0000 52054.5892 -109439.4054 299.1584 -161493.9946 -109072.1185 299.2372 -33.5644 -6.4900 762228.4524 -4.6001 -4.4696 PRESSURE: 879600 156.364 -181.113 -51.8634 -181.112 -53.6642 -20.0728 -51.8636 -20.0715 659.299 GPRESSURE: 879600 149.766 -227.69 -17.225 -99.8305 81.2304 -47.064 -69.5112 66.2244 620.42 PRESSAVG: 879600 36.6344 -40.9251 18.4908 -40.9251 12.8045 -34.9576 18.4909 -34.9576 -4.51241 GPRESSAVG: 879600 37.5765 -36.9475 19.1955 -42.8393 11.7292 -36.425 17.1439 -32.947 -4.27683 TIMING: 879600 CPU: 2768.28, 0.00315875/step Wall: 2768.28, 0.00315875/step, 3.61537 hours remaining, 235.031250 MB of memory in use. ENERGY: 879600 3977.2494 20542.5771 14535.4715 240.2144 -203726.0987 2901.7595 0.0000 0.0000 52050.0188 -109478.8081 299.1322 -161528.8268 -109116.7881 299.0619 253.9996 283.8054 760780.4234 14.9755 15.0096 PRESSURE: 879800 -85.6769 130.735 -102.376 130.735 284.889 -279.152 -102.376 -279.153 -226.411 GPRESSURE: 879800 -19.4711 65.9412 -91.0678 133.117 307.025 -250.526 -20.0493 -150.659 -209.179 PRESSAVG: 879800 40.8271 -47.4704 33.6274 -47.4704 -53.313 -28.8095 33.6274 -28.8096 -9.99116 GPRESSAVG: 879800 41.1578 -51.3774 32.9725 -42.0704 -54.9923 -27.5349 35.2491 -29.6947 -8.756 TIMING: 879800 CPU: 2768.91, 0.00315672/step Wall: 2768.91, 0.00315672/step, 3.61287 hours remaining, 235.031250 MB of memory in use. ENERGY: 879800 4017.8205 20716.4853 14519.8351 249.7152 -203728.3933 2813.9743 0.0000 0.0000 51913.8263 -109496.7366 298.3495 -161410.5629 -109141.0198 299.0118 -9.0663 26.1248 760917.0300 -7.4924 -7.5302 PRESSURE: 880000 -255.59 -51.1602 -24.8586 -51.1602 58.2373 89.0072 -24.8581 89.008 -211.328 GPRESSURE: 880000 -207.131 -42.1515 -129.933 -16.2762 55.4559 121.831 -75.1185 -7.26632 -193.749 PRESSAVG: 880000 -19.416 -61.4406 -23.2155 -61.4405 -3.92211 23.7922 -23.2156 23.7922 -20.1338 GPRESSAVG: 880000 -19.7029 -61.791 -21.9283 -63.5647 -3.84857 23.4808 -23.7228 22.4797 -20.1944 TIMING: 880000 CPU: 2769.55, 0.00316734/step Wall: 2769.55, 0.00316734/step, 3.62484 hours remaining, 235.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 880000 3984.0677 20551.3224 14441.2217 237.3851 -203168.8456 2500.9036 0.0000 0.0000 52046.0759 -109407.8693 299.1095 -161453.9452 -109046.2939 299.4210 -136.2268 -115.1416 761882.8331 -14.4906 -14.5820 PRESSURE: 880200 178.774 -185.065 228.071 -185.066 177.396 204.714 228.071 204.714 -59.8298 GPRESSURE: 880200 155.023 -79.5076 250.005 -86.6449 183.712 221.549 225.947 234.425 40.4482 PRESSAVG: 880200 2.16163 -21.889 9.94081 -21.8891 12.3202 52.2621 9.94079 52.262 3.82336 GPRESSAVG: 880200 2.91536 -21.2107 9.97953 -21.9278 12.5543 51.3582 9.04742 51.8084 2.81648 TIMING: 880200 CPU: 2770.18, 0.00315798/step Wall: 2770.18, 0.00315798/step, 3.61396 hours remaining, 235.031250 MB of memory in use. ENERGY: 880200 3992.4738 20646.3734 14432.1390 249.1346 -202994.1013 2295.0544 0.0000 0.0000 51902.8692 -109476.0570 298.2865 -161378.9262 -109124.7905 299.0167 98.7800 126.3943 760936.2662 6.1017 6.0954 LDB: ============= START OF LOAD BALANCING ============== 2782.58 LDB: ============== END OF LOAD BALANCING =============== 2782.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2782.58 LDB: ============= START OF LOAD BALANCING ============== 2782.9 LDB: Largest compute 7077 load 0.035131 is 17.9% of average load 0.196054 LDB: Average compute 0.004375 is 2.2% of average load 0.196054 LDB: TIME 2782.9 LOAD: AVG 0.196054 MAX 0.214726 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.27 MB LDB: TIME 2782.9 LOAD: AVG 0.196054 MAX 0.214726 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: TIME 2782.9 LOAD: AVG 0.196054 MAX 0.214726 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: ============== END OF LOAD BALANCING =============== 2782.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2782.91 PRESSURE: 880400 187.575 -113.916 96.1559 -113.916 -163.635 -117.838 96.1565 -117.837 309.224 GPRESSURE: 880400 99.89 -101.268 146.559 7.65762 -3.79459 -75.445 35.1983 -165.061 328.064 PRESSAVG: 880400 12.8033 9.13666 33.728 9.13665 0.453306 29.6218 33.728 29.6218 1.97107 GPRESSAVG: 880400 12.0559 9.33904 34.2195 9.33324 1.14446 29.3881 35.7237 31.9017 2.37626 TIMING: 880400 CPU: 2770.83, 0.00324856/step Wall: 2770.83, 0.00324856/step, 3.71743 hours remaining, 234.777344 MB of memory in use. ENERGY: 880400 3971.9556 20527.5132 14422.4553 232.9787 -202960.5616 2474.9907 0.0000 0.0000 52026.6793 -109303.9887 298.9980 -161330.6680 -108950.6582 299.6002 111.0551 141.3863 760004.8258 5.0759 5.1922 PRESSURE: 880600 3.09702 -54.1341 23.9141 -54.1344 208.788 8.87981 23.9141 8.88034 -186.969 GPRESSURE: 880600 144.544 -154.01 39.878 -188.152 182.193 73.0066 33.0276 50.7115 -214.511 PRESSAVG: 880600 -60.2615 -45.7137 1.29623 -45.7137 74.3114 23.8034 1.29614 23.8034 -20.1946 GPRESSAVG: 880600 -58.7641 -46.1859 0.598629 -47.1054 72.9095 26.4601 -0.6377 21.3023 -20.6463 TIMING: 880600 CPU: 2771.46, 0.00314403/step Wall: 2771.46, 0.00314403/step, 3.59765 hours remaining, 234.777344 MB of memory in use. ENERGY: 880600 3984.9455 20354.4482 14436.8709 240.1391 -203048.5688 2453.0450 0.0000 0.0000 52202.3677 -109376.7524 300.0077 -161579.1201 -109004.3363 299.5750 8.3051 37.4088 761661.0101 -2.0482 -2.1670 PRESSURE: 880800 -21.5311 -20.2089 -8.48727 -20.2086 118.299 44.806 -8.48829 44.8066 607.212 GPRESSURE: 880800 6.28272 -103.026 34.3382 77.6889 187.11 8.99745 -83.3367 166.269 590.366 PRESSAVG: 880800 -65.1833 -43.9692 -18.5903 -43.9692 44.246 -33.1087 -18.5904 -33.1087 28.2152 GPRESSAVG: 880800 -67.1485 -42.5731 -19.4202 -42.999 45.285 -34.0067 -16.5363 -32.6376 29.2249 TIMING: 880800 CPU: 2772.09, 0.00315651/step Wall: 2772.09, 0.00315651/step, 3.61175 hours remaining, 234.777344 MB of memory in use. ENERGY: 880800 4018.8582 20386.9167 14502.8069 246.6104 -203478.7025 2780.5867 0.0000 0.0000 52090.9760 -109451.9476 299.3676 -161542.9236 -109083.8336 298.7555 234.6600 261.2529 759304.0810 2.4259 2.4538 PRESSURE: 881000 -67.6076 49.0005 -50.4474 48.9997 -218.091 -42.8995 -50.4471 -42.8997 -249.528 GPRESSURE: 881000 4.3697 -30.4495 -110.576 -23.9318 -198.992 -81.9791 25.9657 40.1427 -259.957 PRESSAVG: 881000 -46.5352 7.36546 -54.2827 7.36546 46.4098 -0.100624 -54.2827 -0.100658 -15.5714 GPRESSAVG: 881000 -45.3862 5.67884 -53.696 8.80143 46.2088 -1.46326 -52.7225 0.868498 -16.2334 TIMING: 881000 CPU: 2772.72, 0.00315054/step Wall: 2772.72, 0.00315054/step, 3.60475 hours remaining, 234.828125 MB of memory in use. ENERGY: 881000 4016.1473 20601.2481 14446.2906 261.5733 -203000.7730 2295.9488 0.0000 0.0000 52085.2451 -109294.3198 299.3346 -161379.5649 -108926.8306 299.4929 -178.4087 -151.5263 761933.0520 -5.2323 -5.1370 PRESSURE: 881200 -127.661 -54.4249 -82.2387 -54.4251 28.5541 120.777 -82.2384 120.776 128.252 GPRESSURE: 881200 -16.6832 125.665 -111.237 -105.796 58.1064 110.075 -8.6779 60.8453 51.3192 PRESSAVG: 881200 8.36077 17.537 -48.1288 17.537 17.9464 -14.1667 -48.1288 -14.1667 5.56791 GPRESSAVG: 881200 8.81807 17.5915 -48.0384 15.6411 17.4979 -14.0845 -48.0202 -14.3327 5.72731 TIMING: 881200 CPU: 2773.35, 0.00314466/step Wall: 2773.35, 0.00314466/step, 3.59784 hours remaining, 234.828125 MB of memory in use. ENERGY: 881200 4027.1546 20434.2270 14493.9333 244.6453 -203710.6239 2848.5634 0.0000 0.0000 52262.4807 -109399.6195 300.3532 -161662.1002 -109031.6838 298.7180 9.7151 30.9142 760777.2889 10.6250 10.6811 PRESSURE: 881400 -191.971 -50.5776 -286.033 -50.5778 217.966 48.7497 -286.032 48.7502 53.1119 GPRESSURE: 881400 -106.563 60.341 -163.952 78.7712 153.06 95.9542 -263.983 90.216 123.041 PRESSAVG: 881400 -7.08198 -32.9662 -33.0911 -32.9661 2.43997 32.6286 -33.0911 32.6285 13.238 GPRESSAVG: 881400 -7.00813 -31.4205 -32.5204 -31.4372 1.97078 30.6774 -34.4414 34.4682 13.6995 TIMING: 881400 CPU: 2773.98, 0.00316037/step Wall: 2773.98, 0.00316037/step, 3.61564 hours remaining, 234.828125 MB of memory in use. ENERGY: 881400 4009.4996 20568.1401 14472.6440 240.8338 -203585.9986 2687.0954 0.0000 0.0000 52002.7799 -109605.0058 298.8607 -161607.7857 -109254.3099 299.4605 26.3692 56.5126 759851.7377 2.8653 2.8874 PRESSURE: 881600 -92.6822 171.531 43.0263 171.53 -155.977 91.8821 43.0258 91.8827 164.925 GPRESSURE: 881600 -26.4839 207.653 5.38913 10.7549 -91.5131 175.359 56.2852 30.3065 134.868 PRESSAVG: 881600 -68.9405 37.6855 6.90324 37.6855 40.8096 89.9688 6.90322 89.9688 -2.37753 GPRESSAVG: 881600 -70.258 36.9216 6.62271 38.2282 42.7947 89.4092 6.42772 89.573 -2.98311 TIMING: 881600 CPU: 2774.61, 0.00315492/step Wall: 2774.61, 0.00315492/step, 3.60923 hours remaining, 234.828125 MB of memory in use. ENERGY: 881600 3979.4357 20503.4437 14482.7290 249.6649 -202933.1280 2388.2959 0.0000 0.0000 52122.0346 -109207.5241 299.5460 -161329.5587 -108846.9415 299.2231 -27.9115 5.6236 760807.5012 -10.1695 -10.1488 PRESSURE: 881800 166.721 3.33521 -54.5669 3.33405 -441.731 97.3753 -54.5675 97.3756 -97.6619 GPRESSURE: 881800 101.852 -178.43 -48.7433 10.6372 -282.801 171.801 41.6429 -35.2814 -103.063 PRESSAVG: 881800 25.1758 0.140352 -35.2224 0.140347 -34.5732 4.96576 -35.2223 4.96568 -5.75812 GPRESSAVG: 881800 24.8701 -1.67003 -34.1941 -0.274941 -35.2473 6.46399 -34.9004 6.11631 -5.08252 TIMING: 881800 CPU: 2775.24, 0.00315182/step Wall: 2775.24, 0.00315182/step, 3.60551 hours remaining, 234.828125 MB of memory in use. ENERGY: 881800 4006.1786 20498.2428 14423.3236 251.1154 -202771.6331 2347.0223 0.0000 0.0000 52053.7170 -109192.0335 299.1534 -161245.7504 -108835.2772 299.8156 -124.2242 -94.6704 760232.7129 -5.0519 -5.1532 PRESSURE: 882000 156.323 78.425 -344.603 78.4254 278.147 -113.094 -344.604 -113.094 270.281 GPRESSURE: 882000 110.287 164.353 -363.781 -24.3504 331.264 -202.867 -189.238 -76.39 341.602 PRESSAVG: 882000 24.2875 -31.2027 -32.1637 -31.2027 -19.1332 16.2523 -32.1637 16.2523 -1.60187 GPRESSAVG: 882000 24.684 -29.1903 -33.9166 -31.5618 -19.5093 15.9588 -30.0124 14.7898 -1.03685 TIMING: 882000 CPU: 2775.87, 0.00314327/step Wall: 2775.87, 0.00314327/step, 3.59555 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 882000 3898.8114 20576.2657 14510.2311 253.6063 -203564.6426 2878.5344 0.0000 0.0000 52374.3536 -109072.8400 300.9961 -161447.1937 -108704.2445 299.8635 234.9172 261.0510 760384.1231 1.1841 1.3793 PRESSURE: 882200 268.67 -75.4119 -171.411 -75.4128 58.0391 34.0434 -171.411 34.0436 206.622 GPRESSURE: 882200 234.349 -31.4926 -168.041 27.1986 187.11 -13.5951 -216.777 57.2166 175.416 PRESSAVG: 882200 -23.1389 -42.5353 -71.3046 -42.5354 13.6739 -0.756353 -71.3045 -0.756359 -22.0048 GPRESSAVG: 882200 -22.9839 -42.3153 -69.9768 -42.5789 13.7154 0.92142 -73.5074 -1.35844 -22.6793 TIMING: 882200 CPU: 2776.5, 0.00313472/step Wall: 2776.5, 0.00313472/step, 3.5856 hours remaining, 234.828125 MB of memory in use. ENERGY: 882200 4026.4988 20565.5385 14471.8108 226.8886 -203434.6617 2742.9844 0.0000 0.0000 52326.7502 -109074.1903 300.7226 -161400.9405 -108711.3852 300.0813 177.7770 198.9583 761438.1675 -10.4900 -10.6493 PRESSURE: 882400 146.008 141.677 -187.931 141.677 -39.5201 163.74 -187.931 163.74 -114.211 GPRESSURE: 882400 184.836 179.852 -125.189 86.2313 41.2123 3.41077 -164.946 71.8119 -146.99 PRESSAVG: 882400 -28.9469 -44.1193 -2.41908 -44.1194 36.0231 -39.0336 -2.41911 -39.0335 15.7201 GPRESSAVG: 882400 -29.514 -45.002 -2.35082 -43.8429 36.8977 -41.2859 -3.1977 -38.8061 15.7101 TIMING: 882400 CPU: 2777.12, 0.00312083/step Wall: 2777.12, 0.00312083/step, 3.56953 hours remaining, 234.828125 MB of memory in use. ENERGY: 882400 4058.1948 20501.0337 14447.2853 266.2437 -203282.8474 2767.0515 0.0000 0.0000 52075.5249 -109167.5136 299.2788 -161243.0386 -108807.1143 300.1871 -2.5744 26.3526 761639.1468 7.5988 7.6979 PRESSURE: 882600 206.754 -181.108 58.8 -181.108 -138.548 141.657 58.7998 141.657 -328.717 GPRESSURE: 882600 207.54 -180.467 -22.0537 -106.15 -133.574 154.956 48.027 275.873 -244.68 PRESSAVG: 882600 -16.9672 -9.51409 7.94027 -9.51408 36.7769 -37.2246 7.94018 -37.2246 -9.96396 GPRESSAVG: 882600 -16.2936 -9.48025 6.3143 -9.53395 37.1177 -34.9542 8.07461 -36.6483 -11.2932 TIMING: 882600 CPU: 2777.75, 0.00313194/step Wall: 2777.75, 0.00313194/step, 3.58207 hours remaining, 234.828125 MB of memory in use. ENERGY: 882600 4015.7996 20691.8862 14453.3165 238.5824 -203549.9527 2946.1683 0.0000 0.0000 52248.3623 -108955.8375 300.2721 -161204.1998 -108597.7922 299.8661 -86.8368 -56.9046 762056.5422 3.2819 3.1770 PRESSURE: 882800 -72.5329 -160.193 -142.124 -160.193 -162.713 -88.0023 -142.124 -88.0003 138.3 GPRESSURE: 882800 5.39618 -160.009 -41.1581 -127.472 -72.6266 -93.8121 3.3442 -166.827 62.4458 PRESSAVG: 882800 -4.46266 62.3467 -24.4937 62.3468 -18.0562 -4.94766 -24.4936 -4.94769 -3.25873 GPRESSAVG: 882800 -5.01447 63.2766 -22.8858 63.4035 -19.773 -5.57722 -24.4051 -4.49686 -0.65843 TIMING: 882800 CPU: 2778.37, 0.0031318/step Wall: 2778.37, 0.0031318/step, 3.58173 hours remaining, 234.828125 MB of memory in use. ENERGY: 882800 4005.0743 20527.5192 14405.4609 247.3114 -203189.7429 2638.2683 0.0000 0.0000 52255.3678 -109110.7410 300.3123 -161366.1088 -108740.9250 300.3340 -32.3153 -1.5949 761566.8606 -8.5925 -8.4820 PRESSURE: 883000 -249.504 -79.7788 -59.481 -79.7797 35.5662 1.65239 -59.4808 1.65278 -233.441 GPRESSURE: 883000 -174.289 -64.7596 -55.5363 -101.819 51.8542 119.247 1.75019 -133.969 -253.981 PRESSAVG: 883000 34.1846 -20.1381 -47.4415 -20.1381 -15.1684 -11.4448 -47.4415 -11.4447 -9.28947 GPRESSAVG: 883000 34.4092 -19.6258 -47.9865 -18.5711 -14.9431 -10.5361 -47.0684 -11.3987 -9.85632 TIMING: 883000 CPU: 2779, 0.00313356/step Wall: 2779, 0.00313356/step, 3.58357 hours remaining, 234.828125 MB of memory in use. ENERGY: 883000 4040.7786 20543.8568 14440.2749 246.5906 -203137.5704 2522.6351 0.0000 0.0000 51957.9318 -109385.5025 298.6029 -161343.4344 -109021.0968 299.6555 -149.1261 -125.4721 762494.2730 3.2423 3.2033 PRESSURE: 883200 -420.519 -181.336 1.44926 -181.336 20.1748 408.301 1.44885 408.301 -225.856 GPRESSURE: 883200 -348.372 -115.081 100.071 -162.01 1.10505 373.884 -115.168 208.981 -184.647 PRESSAVG: 883200 14.6562 -79.0443 -27.4538 -79.0443 -7.77839 30.8104 -27.4538 30.8104 1.35714 GPRESSAVG: 883200 15.8496 -78.0739 -27.9768 -83.7371 -7.79407 30.9503 -26.2798 28.9735 0.293609 TIMING: 883200 CPU: 2779.63, 0.00312154/step Wall: 2779.63, 0.00312153/step, 3.56965 hours remaining, 234.828125 MB of memory in use. ENERGY: 883200 4039.2116 20534.3131 14411.0685 232.1223 -203068.1554 2400.5361 0.0000 0.0000 51983.3319 -109467.5720 298.7489 -161450.9039 -109103.9906 299.6823 -208.7333 -177.3046 760919.3668 2.7450 2.7830 PRESSURE: 883400 -221.412 -5.26966 -176.929 -5.26989 -161.347 -131.075 -176.928 -131.075 -222.624 GPRESSURE: 883400 -243.67 46.3961 -156.934 -130.162 -127.415 -143.161 -172.261 -29.2493 -165.756 PRESSAVG: 883400 20.0631 -5.92094 21.1899 -5.92095 15.5732 79.0646 21.1899 79.0646 -16.7798 GPRESSAVG: 883400 18.7052 -8.73124 21.2295 -3.21336 15.8482 78.6502 18.2492 80.754 -16.3354 TIMING: 883400 CPU: 2780.26, 0.00315072/step Wall: 2780.26, 0.00315072/step, 3.60285 hours remaining, 234.828125 MB of memory in use. ENERGY: 883400 4013.1509 20513.1092 14473.8636 245.9594 -203585.6832 2710.2102 0.0000 0.0000 51977.0866 -109652.3033 298.7130 -161629.3899 -109288.3499 298.7731 -201.7944 -178.9470 761465.1727 6.2855 6.0727 PRESSURE: 883600 -49.4053 -67.8188 -56.1214 -67.8187 -49.3134 172.543 -56.1222 172.543 53.8549 GPRESSURE: 883600 -10.734 -90.1744 -50.8975 17.4703 30.0428 121.558 -90.7655 77.0246 19.2571 PRESSAVG: 883600 10.6987 -14.2681 -14.2652 -14.2681 -39.8558 5.31594 -14.2653 5.31597 -1.48329 GPRESSAVG: 883600 10.51 -13.3633 -16.9498 -15.3653 -38.8805 4.58884 -12.155 5.61149 -2.36709 TIMING: 883600 CPU: 2780.88, 0.00313405/step Wall: 2780.88, 0.00313405/step, 3.58361 hours remaining, 234.828125 MB of memory in use. ENERGY: 883600 3972.3125 20626.1926 14399.7844 252.8946 -203695.1326 2844.1417 0.0000 0.0000 51905.9329 -109693.8739 298.3041 -161599.8068 -109332.4280 299.0349 -14.9546 12.8553 761126.1626 -10.2135 -10.2459 PRESSURE: 883800 -178.17 -16.6044 -375.83 -16.6044 -142.473 308.47 -375.83 308.469 -58.7311 GPRESSURE: 883800 -86.9386 -94.6737 -275.838 -61.33 -130.51 268.345 -370.113 271.811 -73.8268 PRESSAVG: 883800 -21.8245 -38.3801 -20.4171 -38.3801 14.2377 16.7222 -20.4171 16.7222 -15.273 GPRESSAVG: 883800 -20.9848 -37.0878 -17.6258 -40.6639 11.9223 17.3902 -21.3526 14.6807 -14.1243 TIMING: 883800 CPU: 2781.5, 0.00311432/step Wall: 2781.5, 0.00311432/step, 3.56088 hours remaining, 234.828125 MB of memory in use. ENERGY: 883800 4027.2009 20524.6538 14403.6003 230.0259 -203491.3610 2578.5599 0.0000 0.0000 51974.6072 -109752.7129 298.6988 -161727.3201 -109390.6955 298.1102 -126.4581 -97.0918 761402.4456 -7.6200 -7.7289 PRESSURE: 884000 271.648 110.38 28.2671 110.38 -41.5427 34.7688 28.2674 34.7683 -484.483 GPRESSURE: 884000 220.081 11.4309 45.0079 61.6761 -60.0624 -43.5512 52.2341 7.5502 -354.6 PRESSAVG: 884000 48.3638 -19.9792 2.58042 -19.9792 8.93908 32.5841 2.58046 32.5841 7.39995 GPRESSAVG: 884000 48.1609 -21.9224 2.0115 -18.0171 10.4392 31.0565 3.22678 33.7276 6.13458 TIMING: 884000 CPU: 2782.13, 0.00312757/step Wall: 2782.13, 0.00312757/step, 3.57586 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 884000 3911.6699 20588.7608 14437.7787 246.5004 -203780.8252 2836.7381 0.0000 0.0000 51929.7501 -109829.6271 298.4410 -161759.3772 -109467.8162 298.9484 -84.7926 -64.8603 759725.1168 21.5676 21.5782 PRESSURE: 884200 -205.184 -131.01 14.6725 -131.01 -251.23 151.326 14.6722 151.326 41.1857 GPRESSURE: 884200 -246.002 -96.5249 4.6125 -139.328 -146.642 187.087 -67.2392 154.743 37.7477 PRESSAVG: 884200 7.65574 -40.3282 6.29493 -40.3282 -14.7472 17.8061 6.29493 17.8061 -8.58561 GPRESSAVG: 884200 6.87994 -42.1492 6.89617 -40.6316 -14.4963 20.6446 5.01681 17.5375 -8.40291 TIMING: 884200 CPU: 2782.76, 0.0031245/step Wall: 2782.76, 0.0031245/step, 3.57217 hours remaining, 234.828125 MB of memory in use. ENERGY: 884200 3847.0942 20597.4695 14452.6932 254.0328 -203250.3698 2400.9597 0.0000 0.0000 51914.1151 -109784.0053 298.3511 -161698.1204 -109422.5629 298.3697 -138.4094 -118.2986 762950.9155 -5.2257 -5.3398 LDB: ============= START OF LOAD BALANCING ============== 2795.15 LDB: ============== END OF LOAD BALANCING =============== 2795.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2795.15 LDB: ============= START OF LOAD BALANCING ============== 2795.47 LDB: Largest compute 7077 load 0.036348 is 18.6% of average load 0.195929 LDB: Average compute 0.004381 is 2.2% of average load 0.195929 LDB: TIME 2795.47 LOAD: AVG 0.195929 MAX 0.218993 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.289 MB LDB: TIME 2795.47 LOAD: AVG 0.195929 MAX 0.218993 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.289 MB LDB: TIME 2795.47 LOAD: AVG 0.195929 MAX 0.21344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.289 MB LDB: ============== END OF LOAD BALANCING =============== 2795.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2795.48 PRESSURE: 884400 -87.6627 -20.3588 21.3659 -20.3582 -435.098 -19.6617 21.3665 -19.661 -88.6371 GPRESSURE: 884400 -60.0546 25.873 26.0359 -18.7778 -360.692 -28.0142 -25.9384 -102.314 -100.107 PRESSAVG: 884400 -24.1943 -11.7693 -30.5942 -11.7693 4.90431 0.466673 -30.5942 0.466672 -13.412 GPRESSAVG: 884400 -23.1787 -9.31712 -29.7902 -10.8184 3.99269 -1.80982 -30.3424 1.21823 -13.4273 TIMING: 884400 CPU: 2783.4, 0.00320597/step Wall: 2783.4, 0.00320597/step, 3.66513 hours remaining, 235.914062 MB of memory in use. ENERGY: 884400 3953.2955 20385.8341 14573.7631 256.1458 -203166.1904 2397.0746 0.0000 0.0000 51862.2051 -109737.8722 298.0528 -161600.0773 -109378.2954 298.8998 -203.7992 -173.6181 761143.6987 -10.9007 -10.8711 PRESSURE: 884600 -126.816 5.92624 -89.4109 5.92606 191.576 -130.893 -89.4108 -130.893 -69.6842 GPRESSURE: 884600 -74.9466 -29.5918 -174.844 -109.79 241.269 -154.226 -92.7435 -97.3633 -84.333 PRESSAVG: 884600 -16.8785 -34.6894 36.9239 -34.6894 33.8525 -0.613499 36.9238 -0.613587 -29.7448 GPRESSAVG: 884600 -16.3683 -36.3765 34.8746 -34.6678 33.7155 -1.94176 38.3422 0.735499 -30.3503 TIMING: 884600 CPU: 2784.02, 0.00313303/step Wall: 2784.02, 0.00313303/step, 3.58157 hours remaining, 235.914062 MB of memory in use. ENERGY: 884600 4085.8057 20474.6300 14425.9690 261.2180 -203584.5421 2677.5564 0.0000 0.0000 52004.3834 -109654.9796 298.8699 -161659.3630 -109297.6207 298.9498 -1.6414 27.3297 760592.0527 -4.2569 -4.3344 PRESSURE: 884800 -78.0655 -122.193 31.68 -122.193 108.998 129.751 31.6806 129.751 -68.5521 GPRESSURE: 884800 -58.3875 -121.89 -14.0377 -176.922 182.663 221.103 198.661 56.9528 -75.0386 PRESSAVG: 884800 -54.0882 17.5776 19.9026 17.5776 66.8071 6.83065 19.9026 6.83065 -3.33137 GPRESSAVG: 884800 -55.433 19.5559 20.6123 16.5646 66.6978 8.51279 18.1196 4.5115 -2.10009 TIMING: 884800 CPU: 2784.65, 0.00313428/step Wall: 2784.65, 0.00313428/step, 3.58284 hours remaining, 235.914062 MB of memory in use. ENERGY: 884800 3934.2368 20402.7909 14484.1277 239.5898 -203237.3250 2486.4806 0.0000 0.0000 51769.9143 -109920.1849 297.5224 -161690.0992 -109558.4892 298.5615 -12.5399 16.4124 761082.6207 3.1292 3.0549 PRESSURE: 885000 142.631 -158.441 -102.186 -158.441 -425.008 -72.1825 -102.187 -72.1826 357.672 GPRESSURE: 885000 92.9322 -189.128 -114.118 -152.322 -293.507 -63.8262 -93.7728 -108.038 372.058 PRESSAVG: 885000 2.3876 -60.5332 -1.04978 -60.5332 11.2736 -29.1453 -1.04973 -29.1453 18.2931 GPRESSAVG: 885000 2.87766 -61.7987 -0.0566955 -60.0969 12.5515 -27.3655 -1.10886 -30.3349 16.3274 TIMING: 885000 CPU: 2785.28, 0.00315399/step Wall: 2785.28, 0.00315399/step, 3.60518 hours remaining, 235.914062 MB of memory in use. ENERGY: 885000 3918.1373 20381.6168 14370.9010 244.8804 -203352.1353 2599.0412 0.0000 0.0000 51836.6847 -110000.8739 297.9061 -161837.5586 -109640.3378 298.4779 25.0985 57.1610 761021.7042 10.6514 10.5855 PRESSURE: 885200 21.5235 -169.668 16.054 -169.668 113.571 62.4018 16.0545 62.4015 -178.767 GPRESSURE: 885200 25.732 -122.742 -51.6343 -111.026 134.551 122.117 27.9705 121.899 -126.074 PRESSAVG: 885200 -9.71886 21.1304 42.7337 21.1303 3.00306 -10.8343 42.7337 -10.8343 3.85428 GPRESSAVG: 885200 -9.96261 21.6199 41.1436 20.0569 2.2595 -12.0092 42.687 -9.37831 4.66113 TIMING: 885200 CPU: 2785.91, 0.00314251/step Wall: 2785.91, 0.00314251/step, 3.59189 hours remaining, 235.914062 MB of memory in use. ENERGY: 885200 3988.3745 20581.1746 14395.0246 258.7799 -204179.0454 3046.0355 0.0000 0.0000 52014.6231 -109895.0332 298.9288 -161909.6563 -109540.9806 298.3484 -14.5576 11.4031 761636.6466 -0.9538 -1.0140 PRESSURE: 885400 48.7244 -126.677 8.32118 -126.677 -171.832 134.755 8.32067 134.755 251.879 GPRESSURE: 885400 130.729 -80.7164 -44.5933 -136.158 -147.91 81.107 7.05638 169.246 220.274 PRESSAVG: 885400 7.48872 -47.5125 24.5683 -47.5124 3.07896 -30.7288 24.5683 -30.7288 3.02757 GPRESSAVG: 885400 6.96432 -44.4576 24.4269 -45.9684 4.13488 -32.0183 24.6868 -27.795 2.50217 TIMING: 885400 CPU: 2786.54, 0.00314713/step Wall: 2786.54, 0.00314713/step, 3.59699 hours remaining, 235.914062 MB of memory in use. ENERGY: 885400 4009.9334 20351.6650 14475.0193 237.7145 -203617.9526 2663.4530 0.0000 0.0000 52134.3403 -109745.8273 299.6168 -161880.1675 -109373.0530 298.3401 42.9241 67.6976 760499.1552 4.5318 4.5338 PRESSURE: 885600 -97.1621 -149.35 -79.5544 -149.35 -267.307 42.9115 -79.5545 42.9117 -96.406 GPRESSURE: 885600 -127.434 -38.8161 -120.614 -65.574 -216.17 -42.9993 -33.045 31.6916 -39.8461 PRESSAVG: 885600 15.5316 -64.5432 -3.30526 -64.5431 -18.3119 31.8841 -3.30525 31.8841 -18.8048 GPRESSAVG: 885600 15.5426 -66.9581 -4.18362 -67.548 -19.0928 32.6086 -1.00457 30.3022 -18.3715 TIMING: 885600 CPU: 2787.16, 0.00312631/step Wall: 2787.16, 0.00312631/step, 3.57302 hours remaining, 235.914062 MB of memory in use. ENERGY: 885600 4049.1027 20494.0241 14438.6337 235.4814 -203649.5527 2666.1659 0.0000 0.0000 51917.3982 -109848.7466 298.3700 -161766.1448 -109501.6186 298.9441 -153.6249 -127.8165 762479.8312 -7.1950 -7.3072 PRESSURE: 885800 -117.372 -205.301 -12.2384 -205.302 -217.517 -24.8091 -12.2377 -24.8086 -92.5615 GPRESSURE: 885800 -149.627 -188.222 52.6181 -102.689 -152.568 -40.6957 -217.556 -34.3153 -45.2708 PRESSAVG: 885800 -15.8779 -41.7695 -10.1822 -41.7695 -27.9322 30.2433 -10.1822 30.2433 4.40364 GPRESSAVG: 885800 -15.53 -41.9435 -9.89305 -39.6242 -27.3204 31.1919 -11.0598 30.0093 4.09093 TIMING: 885800 CPU: 2787.79, 0.00314024/step Wall: 2787.79, 0.00314024/step, 3.58877 hours remaining, 235.914062 MB of memory in use. ENERGY: 885800 4056.3726 20365.4096 14377.4665 251.6913 -203100.7135 2431.3153 0.0000 0.0000 51914.3079 -109704.1502 298.3522 -161618.4581 -109348.6975 298.6667 -142.4837 -115.8220 761951.8362 -13.1355 -12.9198 PRESSURE: 886000 36.3504 -0.16093 -189.601 -0.160739 282.018 230.495 -189.6 230.494 67.2599 GPRESSURE: 886000 166.191 63.6776 -172.081 -50.7176 243.454 153.485 -211.06 354.641 65.63 PRESSAVG: 886000 13.8964 -26.142 -36.7415 -26.1419 -27.9595 31.9692 -36.7415 31.9692 32.9933 GPRESSAVG: 886000 14.0982 -25.6743 -36.2391 -26.8008 -27.7268 32.5899 -39.5052 31.0423 32.825 TIMING: 886000 CPU: 2788.42, 0.00313457/step Wall: 2788.42, 0.00313457/step, 3.58211 hours remaining, 235.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 886000 4055.5841 20350.0825 14404.2991 270.9797 -204018.4455 3102.1711 0.0000 0.0000 51866.7639 -109968.5651 298.0790 -161835.3290 -109614.0337 298.1274 128.5426 158.4250 762289.3669 6.3100 6.3988 PRESSURE: 886200 -41.5758 88.3729 160.992 88.3727 -304.074 77.0767 160.993 77.0776 -256.559 GPRESSURE: 886200 -138.137 -38.5399 84.0494 36.235 -209.23 108.171 141.578 -37.2675 -177.215 PRESSAVG: 886200 -27.6655 -82.5312 -59.5145 -82.5312 16.3675 24.268 -59.5145 24.2681 1.20339 GPRESSAVG: 886200 -28.0581 -85.2765 -58.3613 -81.5344 15.4429 25.1436 -57.1871 24.5893 2.8676 TIMING: 886200 CPU: 2789.05, 0.00316547/step Wall: 2789.05, 0.00316547/step, 3.61726 hours remaining, 235.914062 MB of memory in use. ENERGY: 886200 4014.9202 20549.1933 14459.5076 262.3824 -203677.1539 2580.0789 0.0000 0.0000 51713.9786 -110097.0929 297.2009 -161811.0715 -109743.6583 298.0900 -200.7365 -174.8609 762109.9484 -3.3649 -3.2492 PRESSURE: 886400 -275.865 45.566 -219.847 45.5659 -98.7268 -144.843 -219.847 -144.842 -178.318 GPRESSURE: 886400 -307.72 -46.8438 -121.626 -2.96948 -57.0691 -120.125 -197.102 -131.447 -103.033 PRESSAVG: 886400 2.21513 -11.3549 64.7682 -11.3549 18.9836 11.7957 64.7683 11.7957 0.384887 GPRESSAVG: 886400 2.47523 -9.40444 65.1857 -10.081 19.9268 10.9192 62.7437 11.7388 -1.73325 TIMING: 886400 CPU: 2789.68, 0.0031331/step Wall: 2789.68, 0.0031331/step, 3.58009 hours remaining, 235.914062 MB of memory in use. ENERGY: 886400 3953.1329 20372.0734 14434.2879 243.6482 -203813.2549 2657.9786 0.0000 0.0000 52175.1666 -109976.9674 299.8514 -162152.1340 -109604.1643 298.5179 -184.3031 -155.9408 761371.9166 7.1945 6.8896 PRESSURE: 886600 -373.746 23.3555 34.1494 23.3556 -251.224 25.8694 34.1488 25.8694 -471.451 GPRESSURE: 886600 -317.649 65.4551 -35.2772 132.596 -224.956 12.4871 -26.9592 -17.6544 -446.549 PRESSAVG: 886600 -29.0093 -30.7603 23.4806 -30.7602 -44.8727 -9.12854 23.4806 -9.12851 12.5019 GPRESSAVG: 886600 -27.649 -29.1255 22.473 -33.309 -46.6802 -10.8091 23.8539 -10.3216 12.7341 TIMING: 886600 CPU: 2790.31, 0.0031382/step Wall: 2790.31, 0.0031382/step, 3.58574 hours remaining, 235.914062 MB of memory in use. ENERGY: 886600 4016.2207 20508.8994 14445.1715 235.8139 -203856.7926 2598.7299 0.0000 0.0000 51987.6444 -110064.3129 298.7737 -162051.9573 -109702.2740 298.5425 -365.4737 -329.7179 762193.4827 -20.4600 -20.5317 PRESSURE: 886800 -25.6326 -112.446 134.283 -112.447 -45.9625 -88.5869 134.283 -88.5889 240.16 GPRESSURE: 886800 -41.4865 -45.066 134.159 -51.4837 64.6935 -120.068 37.0662 -124.605 225.866 PRESSAVG: 886800 -23.0188 -29.893 -15.6251 -29.893 -18.6103 23.8657 -15.6251 23.8656 -8.11967 GPRESSAVG: 886800 -23.3411 -31.1619 -16.6779 -27.3972 -17.0642 23.825 -14.0123 25.3092 -9.68167 TIMING: 886800 CPU: 2790.94, 0.00315066/step Wall: 2790.94, 0.00315066/step, 3.5998 hours remaining, 235.914062 MB of memory in use. ENERGY: 886800 3999.0971 20430.0376 14460.3841 246.3600 -203771.1061 2662.2396 0.0000 0.0000 51879.9913 -110092.9963 298.1550 -161972.9876 -109734.1248 297.7885 56.1883 83.0242 761487.8322 -16.5829 -16.6957 PRESSURE: 887000 -200.306 -66.1921 -88.7364 -66.1911 -271.026 -79.1798 -88.7358 -79.1789 -17.0061 GPRESSURE: 887000 -127.013 12.7682 -245.693 155.199 -260.594 -79.0291 -36.0293 -104.398 -38.2812 PRESSAVG: 887000 -45.7333 -15.9857 -15.2857 -15.9857 33.5763 -9.69215 -15.2857 -9.69205 -4.68571 GPRESSAVG: 887000 -46.3175 -14.3914 -13.8147 -15.3324 32.6512 -8.39359 -16.0752 -10.9589 -3.06814 TIMING: 887000 CPU: 2791.57, 0.00316971/step Wall: 2791.57, 0.00316971/step, 3.62139 hours remaining, 235.914062 MB of memory in use. ENERGY: 887000 3944.0457 20399.8752 14494.3251 251.8742 -203479.9050 2321.3464 0.0000 0.0000 51954.2035 -110114.2349 298.5815 -162068.4384 -109746.3880 298.0730 -162.7792 -141.9629 760220.0755 -5.6142 -5.5781 PRESSURE: 887200 -288.556 57.972 232.861 57.9718 -236.043 143.583 232.862 143.583 -203.258 GPRESSURE: 887200 -267.32 33.5964 240.436 2.40919 -225.836 148.529 214.832 183.055 -145.128 PRESSAVG: 887200 5.59686 -0.501554 -21.6579 -0.501541 -30.1204 23.5005 -21.6579 23.5004 11.4717 GPRESSAVG: 887200 5.62648 -2.02346 -21.6052 -3.49386 -29.2027 22.5709 -24.2863 25.0915 11.5284 TIMING: 887200 CPU: 2792.2, 0.00315346/step Wall: 2792.2, 0.00315346/step, 3.60265 hours remaining, 235.914062 MB of memory in use. ENERGY: 887200 3943.1555 20479.0764 14445.0226 267.9256 -203084.2163 2219.3558 0.0000 0.0000 51608.0402 -110121.6404 296.5921 -161729.6806 -109766.3266 297.8437 -242.6193 -212.7615 761260.9797 -4.3506 -4.0159 PRESSURE: 887400 -53.9753 -27.4154 3.33355 -27.4159 184.851 170.414 3.3341 170.414 73.3619 GPRESSURE: 887400 38.5895 97.9253 25.9769 9.08054 169.408 162.006 -84.8964 55.9325 66.5213 PRESSAVG: 887400 14.0253 -39.8074 24.127 -39.8073 15.5782 -23.1019 24.127 -23.102 2.83873 GPRESSAVG: 887400 13.8129 -37.2849 24.9094 -39.0924 15.1629 -22.9932 25.5188 -23.4969 2.95842 TIMING: 887400 CPU: 2792.83, 0.00316664/step Wall: 2792.83, 0.00316664/step, 3.61754 hours remaining, 235.914062 MB of memory in use. ENERGY: 887400 4011.4297 20432.7233 14400.6886 250.0518 -203456.4271 2459.9228 0.0000 0.0000 51953.6335 -109947.9774 298.5782 -161901.6108 -109591.4910 298.2053 68.0792 91.5062 759166.0461 10.8141 10.6447 PRESSURE: 887600 32.1132 14.7093 -60.0737 14.7101 -157.174 -153.938 -60.0737 -153.939 -123.132 GPRESSURE: 887600 91.6967 -72.4789 -95.2595 -20.1922 -131.349 -139.028 -72.0699 -133.65 -104.416 PRESSAVG: 887600 50.6144 -7.25503 30.064 -7.25503 -17.4167 -9.36909 30.064 -9.36902 9.56387 GPRESSAVG: 887600 52.5574 -10.0329 29.6558 -5.95587 -19.0912 -9.09418 29.6583 -8.49821 9.04147 TIMING: 887600 CPU: 2793.46, 0.00315103/step Wall: 2793.46, 0.00315103/step, 3.59953 hours remaining, 235.914062 MB of memory in use. ENERGY: 887600 3945.4855 20340.2713 14395.2658 243.4472 -203222.7133 2390.2335 0.0000 0.0000 51757.4517 -110150.5583 297.4508 -161908.0100 -109789.9511 298.3566 -82.7309 -48.0225 760018.3327 14.2539 14.1692 PRESSURE: 887800 15.0636 263.796 258.182 263.795 107.18 -208.692 258.182 -208.693 95.562 GPRESSURE: 887800 101.836 141.555 170.395 313.179 92.8483 -327.208 308.725 -117.526 126.08 PRESSAVG: 887800 2.91366 -21.4621 13.3146 -21.462 -3.41849 -28.1494 13.3146 -28.1494 4.65815 GPRESSAVG: 887800 1.74973 -21.1896 12.8218 -24.2171 -2.36537 -28.1288 12.9716 -26.1928 5.14907 TIMING: 887800 CPU: 2794.09, 0.00314394/step Wall: 2794.09, 0.00314394/step, 3.59126 hours remaining, 235.914062 MB of memory in use. ENERGY: 887800 3974.3730 20475.1126 14357.5080 255.1470 -203686.8606 2721.3574 0.0000 0.0000 51930.2887 -109973.0740 298.4441 -161903.3626 -109626.6422 298.3690 72.6020 106.9214 759844.3108 1.3844 1.5111 PRESSURE: 888000 -91.0686 -157.413 31.8254 -157.412 174.076 218.081 31.8258 218.081 641.056 GPRESSURE: 888000 19.3704 -75.7829 -24.3422 -207.819 196.296 212.731 -40.9195 109.587 590.941 PRESSAVG: 888000 50.9728 21.3162 9.52303 21.3162 -28.7253 -15.8927 9.52305 -15.8927 3.97157 GPRESSAVG: 888000 50.6146 20.2622 10.4889 24.3522 -28.1539 -14.9558 8.68005 -19.2042 2.78079 TIMING: 888000 CPU: 2794.72, 0.00315613/step Wall: 2794.72, 0.00315613/step, 3.605 hours remaining, 235.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 888000 3948.7201 20424.2640 14397.6041 239.8573 -203823.6017 2748.8292 0.0000 0.0000 51966.7253 -110097.6017 298.6535 -162064.3270 -109730.6648 298.3355 241.3544 268.8691 760802.3247 8.7397 8.4138 PRESSURE: 888200 -157.611 -92.114 -188.382 -92.1139 65.7648 80.7051 -188.383 80.7051 -147.931 GPRESSURE: 888200 -67.3391 -187.441 -145.921 11.4559 -9.39419 11.4648 -14.7246 53.1616 -87.0392 PRESSAVG: 888200 42.5503 -8.71271 -10.5052 -8.71269 -41.3844 -12.6756 -10.5051 -12.6757 -8.23424 GPRESSAVG: 888200 42.9697 -6.0681 -10.3091 -10.2215 -43.0477 -13.4312 -9.165 -9.2784 -6.89485 TIMING: 888200 CPU: 2795.35, 0.00315017/step Wall: 2795.35, 0.00315017/step, 3.59801 hours remaining, 235.914062 MB of memory in use. ENERGY: 888200 3990.1681 20530.6031 14364.3713 234.2314 -203745.9019 2575.4923 0.0000 0.0000 52005.2145 -110045.8213 298.8747 -162051.0358 -109681.2082 298.1392 -79.9257 -54.5908 760645.1339 -2.3561 -2.3243 LDB: ============= START OF LOAD BALANCING ============== 2807.75 LDB: ============== END OF LOAD BALANCING =============== 2807.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2807.76 LDB: ============= START OF LOAD BALANCING ============== 2808.07 LDB: Largest compute 7045 load 0.033310 is 17.0% of average load 0.195855 LDB: Average compute 0.004404 is 2.2% of average load 0.195855 LDB: TIME 2808.08 LOAD: AVG 0.195855 MAX 0.21365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.602 MB LDB: TIME 2808.08 LOAD: AVG 0.195855 MAX 0.21365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.805 MB LDB: TIME 2808.08 LOAD: AVG 0.195855 MAX 0.21365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.805 MB LDB: ============== END OF LOAD BALANCING =============== 2808.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2808.09 PRESSURE: 888400 -47.2331 -93.047 132.354 -93.0475 21.2481 -48.1397 132.354 -48.1394 169.518 GPRESSURE: 888400 47.3242 -39.7114 3.11192 -94.077 65.74 -41.0064 173.208 -14.7404 136.715 PRESSAVG: 888400 32.1686 -34.4841 28.7344 -34.4842 -15.6109 51.2591 28.7345 51.2591 -7.38298 GPRESSAVG: 888400 32.0693 -35.1322 27.0475 -35.2221 -14.7512 52.2135 30.0502 47.4301 -8.00677 TIMING: 888400 CPU: 2796, 0.00324165/step Wall: 2796, 0.00324164/step, 3.70232 hours remaining, 235.597656 MB of memory in use. ENERGY: 888400 3898.8845 20471.0163 14336.5593 234.6024 -203725.1422 2571.4445 0.0000 0.0000 52106.0427 -110106.5924 299.4541 -162212.6352 -109731.1153 298.2172 47.8445 83.2598 760336.2478 3.0583 3.1038 PRESSURE: 888600 182.533 -115.563 197.784 -115.563 -134.932 -290.813 197.783 -290.813 -228.625 GPRESSURE: 888600 256.543 -117.319 282.616 131.273 -127.627 -196.666 183.47 -185.184 -209.205 PRESSAVG: 888600 21.7332 -25.8418 14.5437 -25.8419 11.7445 14.1415 14.5437 14.1416 -9.73642 GPRESSAVG: 888600 21.1015 -25.4343 16.993 -25.2055 11.8508 12.8141 12.0835 18.3342 -9.37182 TIMING: 888600 CPU: 2796.63, 0.00314195/step Wall: 2796.63, 0.00314195/step, 3.58828 hours remaining, 235.800781 MB of memory in use. ENERGY: 888600 4034.4743 20521.5822 14418.0117 242.0502 -203482.9225 2442.3430 0.0000 0.0000 51887.6804 -109936.7808 298.1992 -161824.4612 -109574.1478 298.4052 -60.3411 -26.7630 759128.1718 7.9138 7.8602 PRESSURE: 888800 23.1515 250.701 -101.834 250.7 -338.19 149.598 -101.834 149.598 93.4196 GPRESSURE: 888800 201.501 203.003 -81.8898 80.8795 -377.507 102.479 -110.587 41.024 37.6897 PRESSAVG: 888800 2.98353 -46.5296 -8.97093 -46.5296 28.5633 -11.0629 -8.97095 -11.0628 -1.09167 GPRESSAVG: 888800 3.73525 -45.4958 -9.64093 -46.5485 28.7298 -10.9699 -8.32311 -12.3133 -2.44517 TIMING: 888800 CPU: 2797.26, 0.00315401/step Wall: 2797.26, 0.00315401/step, 3.60188 hours remaining, 235.800781 MB of memory in use. ENERGY: 888800 3983.0137 20475.5049 14413.5760 246.3742 -203644.7875 2451.7529 0.0000 0.0000 51909.3598 -110165.2060 298.3238 -162074.5658 -109792.5193 298.2161 -73.8729 -46.1057 758288.5366 10.1517 10.0066 PRESSURE: 889000 -76.9308 -380.42 -395.385 -380.42 174.389 75.1479 -395.385 75.1479 -202.953 GPRESSURE: 889000 -5.06395 -382.673 -394.093 -350.554 186.033 51.943 -248.913 60.4115 -202.88 PRESSAVG: 889000 20.2629 -24.2156 -38.7584 -24.2156 -23.7787 -27.5181 -38.7584 -27.5182 23.301 GPRESSAVG: 889000 20.2107 -25.7753 -41.1147 -25.7464 -23.5255 -27.5291 -36.9327 -28.796 23.2511 TIMING: 889000 CPU: 2797.9, 0.00316624/step Wall: 2797.9, 0.00316624/step, 3.61567 hours remaining, 235.800781 MB of memory in use. ENERGY: 889000 3924.7593 20508.5340 14343.5052 234.2905 -203441.1191 2449.7663 0.0000 0.0000 51749.6585 -110230.6054 297.4060 -161980.2639 -109865.7589 297.9250 -35.1648 -7.3038 759715.1252 6.5951 6.6454 PRESSURE: 889200 194.396 -58.8212 -54.8943 -58.8216 40.1537 -25.5376 -54.8939 -25.5369 222.117 GPRESSURE: 889200 228.842 -153.005 -44.7975 28.7188 123.155 45.5726 -78.607 51.7165 191.929 PRESSAVG: 889200 -21.1035 12.1719 -52.0643 12.172 -3.43508 -9.61647 -52.0643 -9.61648 10.9834 GPRESSAVG: 889200 -21.0924 13.015 -51.4664 12.3741 -4.12443 -11.6843 -52.8373 -7.37077 11.5937 TIMING: 889200 CPU: 2798.53, 0.0031642/step Wall: 2798.53, 0.0031642/step, 3.61316 hours remaining, 235.800781 MB of memory in use. ENERGY: 889200 3933.6491 20350.0382 14426.7844 249.4404 -204184.8012 2801.6946 0.0000 0.0000 51692.2005 -110730.9940 297.0758 -162423.1945 -110379.7241 297.1127 152.2220 181.3085 760885.2753 -4.5184 -4.5411 PRESSURE: 889400 -505.915 -52.0212 -160.129 -52.0213 -300.893 79.0114 -160.13 79.0114 -84.2268 GPRESSURE: 889400 -432.164 -80.7789 -194.83 -74.6343 -249.959 -17.9571 -200.881 -73.837 -112.897 PRESSAVG: 889400 40.4464 29.0686 -25.6353 29.0685 -24.4032 4.05211 -25.6353 4.05205 33.0467 GPRESSAVG: 889400 38.9491 29.1183 -24.0359 27.8783 -24.2881 7.18595 -25.9828 0.108915 33.8039 TIMING: 889400 CPU: 2799.16, 0.00314924/step Wall: 2799.16, 0.00314924/step, 3.59591 hours remaining, 235.800781 MB of memory in use. ENERGY: 889400 3995.4092 20361.2904 14355.9877 251.9412 -203671.9663 2418.1690 0.0000 0.0000 51798.9910 -110490.1778 297.6895 -162289.1688 -110135.6947 297.1526 -297.0116 -265.0066 760908.2142 16.3633 16.1550 PRESSURE: 889600 -120.191 -105.917 -71.5628 -105.917 -101.021 -121.542 -71.5627 -121.541 -219.636 GPRESSURE: 889600 -158.195 -129.646 -118.311 -150.321 -100.07 -47.4308 -67.0648 -140.313 -111.809 PRESSAVG: 889600 -1.56862 -48.3447 -21.2179 -48.3447 1.55388 12.3856 -21.2179 12.3856 -8.85725 GPRESSAVG: 889600 -1.45524 -48.6983 -22.8219 -49.3117 1.02091 11.5591 -20.9704 10.8352 -8.61082 TIMING: 889600 CPU: 2799.79, 0.0031606/step Wall: 2799.79, 0.0031606/step, 3.6087 hours remaining, 235.800781 MB of memory in use. ENERGY: 889600 3965.2807 20414.0570 14408.4058 233.1705 -203587.6978 2383.7072 0.0000 0.0000 51773.3798 -110409.6967 297.5423 -162183.0766 -110061.7334 297.4620 -146.9495 -123.3580 761570.2488 -2.9573 -3.0151 PRESSURE: 889800 -313.944 -60.9982 38.5055 -60.9984 -11.2914 -74.592 38.5052 -74.5928 217.705 GPRESSURE: 889800 -119.174 -93.4292 16.9915 -82.3426 -59.3041 -8.614 35.2951 -58.7064 177.653 PRESSAVG: 889800 31.5283 -18.28 -26.9886 -18.28 -38.5608 -46.2632 -26.9887 -46.263 4.03602 GPRESSAVG: 889800 32.1001 -19.5729 -25.6801 -13.8289 -37.7537 -45.9635 -28.614 -42.4211 2.39537 TIMING: 889800 CPU: 2800.42, 0.00317166/step Wall: 2800.42, 0.00317166/step, 3.62115 hours remaining, 235.800781 MB of memory in use. ENERGY: 889800 3934.4033 20464.3110 14419.1404 250.5873 -203330.2787 2323.8392 0.0000 0.0000 51586.1494 -110351.8481 296.4663 -161937.9975 -110006.8288 297.4172 -35.8434 -0.2752 761190.7651 -0.9988 -1.0861 PRESSURE: 890000 197.763 -130.566 208.46 -130.566 -131.139 -320.27 208.46 -320.27 -338.117 GPRESSURE: 890000 192.831 -173.494 266.326 -98.9788 -141.72 -325.892 164.366 -205.614 -234.56 PRESSAVG: 890000 10.0403 -47.3365 -35.0243 -47.3364 -7.26198 -8.02545 -35.0243 -8.02551 -12.6281 GPRESSAVG: 890000 9.87993 -47.225 -35.2964 -48.2682 -8.11163 -7.82968 -34.1223 -8.615 -11.6789 TIMING: 890000 CPU: 2801.06, 0.00317995/step Wall: 2801.06, 0.00317995/step, 3.63045 hours remaining, 235.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 890000 4014.1560 20228.6015 14339.8896 238.0113 -203457.8183 2416.6977 0.0000 0.0000 51810.0384 -110410.4238 297.7530 -162220.4622 -110041.0208 297.4704 -90.4974 -61.1495 761769.2539 -3.2833 -3.3035 PRESSURE: 890200 95.0346 -233.698 -109.889 -233.698 -229.753 24.0081 -109.888 24.0074 235.685 GPRESSURE: 890200 129.723 -165.566 -77.1034 -168.435 -117.584 -5.98259 -156.926 73.3306 181.215 PRESSAVG: 890200 47.5389 -44.1443 -24.1865 -44.1444 7.0489 -29.4373 -24.1865 -29.4373 -5.95066 GPRESSAVG: 890200 47.4216 -42.8303 -22.6077 -44.5584 6.80647 -30.363 -24.5051 -28.9721 -5.76526 TIMING: 890200 CPU: 2801.69, 0.00315462/step Wall: 2801.69, 0.00315461/step, 3.60134 hours remaining, 235.800781 MB of memory in use. ENERGY: 890200 3996.1514 20354.0750 14476.8084 248.0148 -203640.0700 2470.2871 0.0000 0.0000 51822.4389 -110272.2943 297.8243 -162094.7332 -109910.3426 298.1666 33.6554 64.4514 759129.4624 16.2124 16.1543 PRESSURE: 890400 260.205 106.348 228.822 106.348 -69.5771 -68.7304 228.821 -68.7294 196.502 GPRESSURE: 890400 307.434 114.721 257.135 -21.6253 -33.7933 -44.755 47.2908 -192.501 190.37 PRESSAVG: 890400 11.7453 -62.3038 7.83774 -62.3038 -2.99083 -12.1384 7.8378 -12.1383 21.9817 GPRESSAVG: 890400 10.9635 -63.6521 5.16808 -63.9131 -2.06208 -11.3261 8.93523 -12.5559 21.89 TIMING: 890400 CPU: 2802.32, 0.00315408/step Wall: 2802.32, 0.00315408/step, 3.60055 hours remaining, 235.800781 MB of memory in use. ENERGY: 890400 3990.3190 20393.4250 14410.6241 242.5129 -203919.1701 2679.5893 0.0000 0.0000 51939.8155 -110262.8844 298.4988 -162202.6999 -109905.2015 298.0491 129.0433 154.6703 759236.6143 10.2454 10.2638 PRESSURE: 890600 -214.402 157.17 40.5981 157.17 63.6493 63.3232 40.5979 63.3228 -5.10548 GPRESSURE: 890600 -102.418 197.911 8.93666 93.9373 24.3156 104.603 193.32 134.679 25.155 PRESSAVG: 890600 -27.1988 -46.3065 -5.9279 -46.3065 94.4821 -26.6945 -5.92796 -26.6945 17.6351 GPRESSAVG: 890600 -26.7219 -45.7599 -4.27984 -45.1419 93.7364 -26.865 -7.0415 -25.8125 17.96 TIMING: 890600 CPU: 2802.95, 0.00315508/step Wall: 2802.95, 0.00315508/step, 3.60152 hours remaining, 235.800781 MB of memory in use. ENERGY: 890600 3972.8450 20531.1786 14408.5947 242.0205 -203490.2354 2415.4521 0.0000 0.0000 51817.1414 -110103.0032 297.7938 -161920.1446 -109739.7298 298.4677 -51.9526 -17.6493 759590.0971 28.3061 28.3249 PRESSURE: 890800 230.082 -123.243 56.6325 -123.243 528.215 -73.2001 56.632 -73.1996 362.484 GPRESSURE: 890800 264.924 -69.5719 59.4935 -47.4517 557.426 27.8886 65.5959 -98.3673 371.716 PRESSAVG: 890800 -37.6638 -32.0019 6.72956 -32.0019 38.4329 -2.42922 6.72958 -2.42922 3.20746 GPRESSAVG: 890800 -38.0137 -29.5382 4.39446 -32.1001 39.4136 -2.20768 8.17763 -3.45274 2.62493 TIMING: 890800 CPU: 2803.58, 0.00315563/step Wall: 2803.58, 0.00315563/step, 3.60197 hours remaining, 235.800781 MB of memory in use. ENERGY: 890800 3849.6608 20391.6411 14375.6168 226.5358 -204222.4142 3039.2431 0.0000 0.0000 52303.0283 -110036.6883 300.5862 -162339.7167 -109676.9021 298.1209 373.5937 398.0218 759678.5281 1.3255 1.3416 PRESSURE: 891000 124.432 -16.7332 -38.5962 -16.7343 74.4964 7.87974 -38.5967 7.87942 -84.8645 GPRESSURE: 891000 176.448 -21.5173 -126.471 -85.869 79.1778 117.02 7.26894 -127.444 -52.1887 PRESSAVG: 891000 -32.4018 -14.3306 -23.1442 -14.3306 -10.7215 -18.1651 -23.1442 -18.1651 -11.4447 GPRESSAVG: 891000 -32.0578 -15.4929 -20.5191 -15.9209 -10.954 -18.5277 -23.7857 -20.4912 -10.9111 TIMING: 891000 CPU: 2804.22, 0.00315419/step Wall: 2804.22, 0.00315419/step, 3.60015 hours remaining, 235.800781 MB of memory in use. ENERGY: 891000 3961.2511 20434.8769 14457.1090 237.2663 -203591.4749 2576.4707 0.0000 0.0000 52003.5340 -109920.9668 298.8650 -161924.5008 -109558.3875 298.1189 38.0214 67.8123 760592.6988 -18.1893 -17.9743 PRESSURE: 891200 -85.4877 2.82589 260.93 2.82529 30.4085 -33.7597 260.929 -33.7594 77.9894 GPRESSURE: 891200 24.4917 -23.1392 286.504 21.2947 42.0492 -70.2292 203.268 53.3575 45.5676 PRESSAVG: 891200 -70.0349 -86.2748 4.12376 -86.2748 58.2147 -14.479 4.12382 -14.479 23.9769 GPRESSAVG: 891200 -69.1269 -87.1696 2.18119 -84.8869 58.3052 -14.8381 5.27144 -12.3776 23.438 TIMING: 891200 CPU: 2804.85, 0.00315371/step Wall: 2804.85, 0.00315371/step, 3.59944 hours remaining, 235.800781 MB of memory in use. ENERGY: 891200 3942.2062 20487.6816 14361.1959 240.5737 -203101.2824 2444.1196 0.0000 0.0000 51764.9824 -109860.5230 297.4941 -161625.5054 -109496.4123 298.7263 7.6367 37.3695 761051.8848 4.0522 4.2054 PRESSURE: 891400 185.396 -48.4818 135.844 -48.4822 -211.122 159.473 135.843 159.474 -247.878 GPRESSURE: 891400 127.626 -90.2464 259.115 -63.0211 -143.718 166.198 91.6886 2.42301 -182.71 PRESSAVG: 891400 42.038 -35.9497 36.0451 -35.9498 15.9341 -30.1376 36.0452 -30.1376 -9.68159 GPRESSAVG: 891400 40.7491 -35.4366 36.4126 -37.3299 15.2285 -29.7453 35.5152 -30.4304 -7.51093 TIMING: 891400 CPU: 2805.48, 0.00315922/step Wall: 2805.48, 0.00315922/step, 3.60555 hours remaining, 235.800781 MB of memory in use. ENERGY: 891400 4026.6749 20533.0652 14386.8869 271.4583 -203798.3712 2736.0535 0.0000 0.0000 51975.7120 -109868.5204 298.7051 -161844.2324 -109496.3320 298.4598 -91.2013 -66.2675 760598.8551 16.0968 16.1556 PRESSURE: 891600 -193.831 -92.1573 236.051 -92.1566 -165.616 -108.635 236.05 -108.635 190.043 GPRESSURE: 891600 5.56738 -70.5372 305.813 7.5318 -239.524 -169.589 179.889 -8.19951 126.055 PRESSAVG: 891600 47.198 -33.7936 47.5395 -33.7936 -45.5939 -13.1849 47.5395 -13.1849 10.5414 GPRESSAVG: 891600 48.235 -35.3847 48.5609 -30.3893 -45.1469 -13.6513 45.2466 -12.349 8.92275 TIMING: 891600 CPU: 2806.11, 0.00315504/step Wall: 2806.11, 0.00315504/step, 3.6006 hours remaining, 235.800781 MB of memory in use. ENERGY: 891600 3947.9201 20871.8919 14405.7256 247.7551 -203000.9904 2226.5267 0.0000 0.0000 51673.8447 -109627.3264 296.9703 -161301.1710 -109277.5609 298.8703 -56.4682 -35.9670 761385.1166 4.0485 4.0036 PRESSURE: 891800 -54.1916 -57.9007 -123.727 -57.9004 -117.633 32.7181 -123.727 32.7186 85.2616 GPRESSURE: 891800 -16.0432 -12.8213 -140.532 25.7724 -67.4195 -53.3123 -26.3339 125.323 72.3165 PRESSAVG: 891800 58.7777 -42.2684 17.0759 -42.2684 -47.0395 -21.5238 17.0759 -21.5238 -6.64064 GPRESSAVG: 891800 59.5815 -41.9287 15.9413 -42.5271 -47.0788 -22.7063 18.0879 -20.8006 -7.61219 TIMING: 891800 CPU: 2806.74, 0.00315189/step Wall: 2806.74, 0.00315189/step, 3.59684 hours remaining, 235.800781 MB of memory in use. ENERGY: 891800 3979.9677 20710.8445 14423.5102 243.3773 -203245.2593 2384.4552 0.0000 0.0000 51926.8396 -109576.2648 298.4243 -161503.1044 -109221.7397 298.8503 -28.8544 -3.7154 760954.5525 1.6992 1.6302 PRESSURE: 892000 -62.1543 49.3428 67.4053 49.3426 -23.0245 -58.4153 67.4048 -58.4158 203.742 GPRESSURE: 892000 16.6976 16.171 73.4316 -33.5756 -10.2644 -160.022 27.5652 73.2632 184.354 PRESSAVG: 892000 1.70558 -13.4184 -41.832 -13.4185 -17.162 -36.4393 -41.832 -36.4394 -11.0488 GPRESSAVG: 892000 0.115176 -13.2723 -42.3108 -15.253 -16.8061 -35.3348 -42.8271 -37.3989 -10.1615 TIMING: 892000 CPU: 2807.37, 0.00315071/step Wall: 2807.37, 0.00315071/step, 3.59531 hours remaining, 235.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 892000 3952.8455 20600.6329 14382.9423 252.4430 -203318.6703 2705.7230 0.0000 0.0000 51826.2243 -109597.8593 297.8460 -161424.0836 -109230.9176 299.0500 39.5212 63.5956 762314.1329 -8.8350 -8.9508 PRESSURE: 892200 11.4619 -4.11021 96.5869 -4.10993 60.3847 25.5133 96.5869 25.5125 373.09 GPRESSURE: 892200 106.389 -99.122 99.5689 -35.392 54.492 37.8487 277.636 -135.277 363.517 PRESSAVG: 892200 39.6329 -11.6709 7.76376 -11.6709 -14.6168 -24.8697 7.76373 -24.8697 -5.28942 GPRESSAVG: 892200 39.1688 -11.5539 8.03484 -11.9101 -15.4619 -23.9939 10.1204 -25.8674 -4.09543 TIMING: 892200 CPU: 2808, 0.00312948/step Wall: 2808, 0.00312948/step, 3.57091 hours remaining, 235.800781 MB of memory in use. ENERGY: 892200 3966.6060 20536.5221 14406.2758 244.7184 -203826.4336 2928.0437 0.0000 0.0000 52339.1064 -109405.1611 300.7936 -161744.2675 -109037.6128 299.0206 148.3123 174.7995 760425.8031 6.5756 6.5372 LDB: ============= START OF LOAD BALANCING ============== 2820.39 LDB: ============== END OF LOAD BALANCING =============== 2820.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2820.39 LDB: ============= START OF LOAD BALANCING ============== 2820.71 LDB: Largest compute 7078 load 0.031950 is 16.3% of average load 0.195996 LDB: Average compute 0.004389 is 2.2% of average load 0.195996 LDB: TIME 2820.71 LOAD: AVG 0.195996 MAX 0.213912 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 233.602 MB LDB: TIME 2820.71 LOAD: AVG 0.195996 MAX 0.213912 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.605 MB LDB: TIME 2820.71 LOAD: AVG 0.195996 MAX 0.213912 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.605 MB LDB: ============== END OF LOAD BALANCING =============== 2820.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2820.72 PRESSURE: 892400 306.635 15.1282 82.6211 15.1279 16.2425 -30.1735 82.621 -30.1727 -178.852 GPRESSURE: 892400 254.787 40.2362 -9.16548 1.01055 6.84764 -38.4627 175.929 23.7884 -49.8979 PRESSAVG: 892400 -2.61034 -24.5854 -18.6435 -24.5854 -5.69814 27.0697 -18.6436 27.0697 6.56967 GPRESSAVG: 892400 -2.66986 -23.0699 -17.3234 -24.1338 -6.28636 26.851 -21.5117 26.9221 7.0925 TIMING: 892400 CPU: 2808.64, 0.0032091/step Wall: 2808.64, 0.0032091/step, 3.66158 hours remaining, 234.218750 MB of memory in use. ENERGY: 892400 4012.2021 20652.1690 14359.8602 245.6196 -203520.2899 2562.1408 0.0000 0.0000 52085.1621 -109603.1361 299.3341 -161688.2982 -109246.9860 299.4091 48.0086 70.5788 760950.3645 -0.5796 -0.6212 PRESSURE: 892600 -220.165 55.0227 -76.9413 55.0219 -178.127 -128.502 -76.9412 -128.501 -912.397 GPRESSURE: 892600 -240.133 -23.5687 -76.2368 -6.4268 -145.363 -73.437 -110.009 -109.714 -847.057 PRESSAVG: 892600 41.729 2.95648 -4.33919 2.95653 -5.60073 -18.0901 -4.33923 -18.0901 21.7702 GPRESSAVG: 892600 42.7571 4.87549 -4.7407 2.05791 -5.21858 -17.4103 -3.7998 -17.916 20.211 TIMING: 892600 CPU: 2809.27, 0.00314744/step Wall: 2809.27, 0.00314744/step, 3.59105 hours remaining, 234.218750 MB of memory in use. ENERGY: 892600 4011.0556 20565.5506 14405.5941 232.6388 -203022.0829 2112.3153 0.0000 0.0000 52145.0435 -109549.8850 299.6783 -161694.9285 -109187.0291 299.3182 -436.8965 -410.8508 762781.5739 19.2995 19.2498 PRESSURE: 892800 3.67561 -126.112 -4.69377 -126.112 88.7234 25.1618 -4.69321 25.1628 -78.7311 GPRESSURE: 892800 -0.489933 -138.989 36.8239 -56.3313 142.846 -62.8506 -69.0936 70.1588 -25.172 PRESSAVG: 892800 2.69714 25.0869 -25.0099 25.0869 34.5516 -35.6427 -25.0098 -35.6427 11.9853 GPRESSAVG: 892800 2.23171 24.0176 -24.9894 27.7831 34.7777 -37.543 -24.7796 -34.7433 12.3235 TIMING: 892800 CPU: 2809.9, 0.00314534/step Wall: 2809.9, 0.00314534/step, 3.58848 hours remaining, 234.218750 MB of memory in use. ENERGY: 892800 3943.9241 20481.2000 14331.6304 257.3337 -203137.7626 2649.6136 0.0000 0.0000 52062.9571 -109411.1037 299.2065 -161474.0607 -109044.8260 299.3801 4.5560 39.0613 762660.9020 16.4114 16.4443 PRESSURE: 893000 57.3315 -98.8621 -190.689 -98.8622 -119.21 -28.7106 -190.689 -28.7111 -308.839 GPRESSURE: 893000 104.396 -38.2851 -219.883 -93.8425 -88.9317 -12.4328 -214.681 69.3134 -324.057 PRESSAVG: 893000 -64.8717 -49.8321 -46.2996 -49.8322 51.4953 0.184953 -46.2996 0.184979 -7.30709 GPRESSAVG: 893000 -65.431 -49.0722 -47.0989 -51.4743 50.7398 2.03006 -47.2618 -2.22901 -6.75296 TIMING: 893000 CPU: 2810.53, 0.00316516/step Wall: 2810.53, 0.00316516/step, 3.61092 hours remaining, 234.218750 MB of memory in use. ENERGY: 893000 4038.3616 20656.8725 14381.4481 235.4048 -203738.7546 2755.7465 0.0000 0.0000 52047.9349 -109622.9861 299.1202 -161670.9210 -109255.2830 299.0476 -123.5724 -102.8644 762205.3838 -6.8945 -7.1480 PRESSURE: 893200 -190.659 69.224 54.886 69.2228 58.8524 -241.63 54.8861 -241.631 -236.334 GPRESSURE: 893200 -81.0921 -36.3235 62.7791 -54.4934 62.0627 -255.718 -29.1412 -175.108 -249.442 PRESSAVG: 893200 -28.1369 -17.6022 -6.56201 -17.6022 56.2868 51.5328 -6.56201 51.5327 9.12318 GPRESSAVG: 893200 -27.4626 -19.0759 -5.9498 -18.1463 57.4118 51.5106 -6.6455 54.408 7.35463 TIMING: 893200 CPU: 2811.16, 0.00314687/step Wall: 2811.16, 0.00314687/step, 3.58988 hours remaining, 234.218750 MB of memory in use. ENERGY: 893200 3942.7863 20447.9910 14492.8235 266.5196 -203250.3489 2530.7236 0.0000 0.0000 51958.1973 -109611.3075 298.6045 -161569.5048 -109246.0906 299.2259 -122.7137 -89.4906 762057.6944 12.4244 12.4346 PRESSURE: 893400 -170.81 13.4455 -91.1447 13.4447 252.431 -99.6919 -91.1439 -99.6918 65.0428 GPRESSURE: 893400 -139.399 -25.7329 -64.9537 -61.9477 205.744 -9.95701 -6.31947 -184.484 157.161 PRESSAVG: 893400 41.8764 -4.57328 -31.5711 -4.57324 -23.7567 -48.4543 -31.5711 -48.4543 7.68873 GPRESSAVG: 893400 40.8356 -3.43939 -31.5551 -3.44202 -22.8404 -49.8275 -31.7173 -48.842 8.28737 TIMING: 893400 CPU: 2811.79, 0.00313904/step Wall: 2811.79, 0.00313904/step, 3.58077 hours remaining, 234.218750 MB of memory in use. ENERGY: 893400 4052.4724 20481.8127 14345.6651 238.6504 -203631.9364 2896.6427 0.0000 0.0000 51868.1283 -109748.5647 298.0868 -161616.6930 -109391.9263 298.8922 48.8878 74.5020 762161.2562 8.6028 8.7609 PRESSURE: 893600 -81.7021 -129.504 -114.898 -129.504 -91.1831 -70.6065 -114.898 -70.6057 87.9525 GPRESSURE: 893600 -51.9324 -70.6978 -146.467 -147.663 -2.67749 -194.628 100.349 -69.0309 49.3854 PRESSAVG: 893600 10.1679 -3.44989 -45.0972 -3.44991 -3.96842 -0.714124 -45.0972 -0.714164 -12.9494 GPRESSAVG: 893600 11.8115 -3.23193 -44.7615 -4.35685 -5.06389 0.410238 -41.9624 -1.60958 -12.921 TIMING: 893600 CPU: 2812.41, 0.00313871/step Wall: 2812.41, 0.00313871/step, 3.58022 hours remaining, 234.218750 MB of memory in use. ENERGY: 893600 3939.4624 20482.2650 14431.2949 239.3846 -203230.8511 2499.8260 0.0000 0.0000 51958.1976 -109680.4206 298.6045 -161638.6182 -109317.6289 298.9863 -28.3109 -1.7415 761271.5863 -2.2500 -2.0578 PRESSURE: 893800 195.801 121.333 169.694 121.334 133.431 58.9036 169.694 58.9037 538.664 GPRESSURE: 893800 216.279 0.341995 177.324 56.5781 176.241 -8.86657 174.073 5.25497 564.013 PRESSAVG: 893800 63.3743 -64.9797 -23.6563 -64.9797 -27.1061 -33.6481 -23.6563 -33.648 26.5277 GPRESSAVG: 893800 62.8943 -67.5335 -24.6783 -64.4405 -27.0594 -33.1753 -24.5817 -33.3938 26.9965 TIMING: 893800 CPU: 2813.05, 0.00317093/step Wall: 2813.05, 0.00317093/step, 3.6168 hours remaining, 234.218750 MB of memory in use. ENERGY: 893800 4030.6011 20424.4180 14440.3566 229.8165 -203268.6929 2309.9047 0.0000 0.0000 52065.4366 -109768.1594 299.2208 -161833.5959 -109411.0146 298.7588 289.2987 318.8443 759315.2068 20.9319 20.9438 PRESSURE: 894000 -61.6575 26.0723 46.0896 26.0714 -127.004 -117.253 46.0899 -117.252 9.85492 GPRESSURE: 894000 -14.2552 34.6409 78.9054 -46.0041 -118.596 -192.42 -69.6856 -116.007 54.3299 PRESSAVG: 894000 33.9254 -48.2707 -16.1305 -48.2708 -10.8106 -37.0373 -16.1305 -37.0373 9.28692 GPRESSAVG: 894000 35.8799 -48.0117 -14.9071 -47.7113 -11.932 -37.5022 -18.5103 -37.6205 9.06915 TIMING: 894000 CPU: 2813.68, 0.00314985/step Wall: 2813.68, 0.00314985/step, 3.59258 hours remaining, 234.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 894000 4010.2744 20492.1606 14373.0399 241.1617 -203064.3816 2212.8108 0.0000 0.0000 52064.5215 -109670.4127 299.2155 -161734.9342 -109311.2718 299.0036 -59.6022 -26.1739 760504.0013 10.8006 11.0057 PRESSURE: 894200 25.6152 30.7692 28.5091 30.7692 341.666 -274.91 28.5092 -274.911 -123.071 GPRESSURE: 894200 32.3638 -69.2565 89.8449 -65.7389 382.943 -219.023 -114.46 -223.158 -62.1081 PRESSAVG: 894200 24.5044 -23.424 -34.1767 -23.424 -19.5956 -52.9424 -34.1768 -52.9424 15.2946 GPRESSAVG: 894200 23.0436 -22.3034 -36.0491 -23.7697 -18.7056 -54.3822 -32.1509 -50.927 15.4322 TIMING: 894200 CPU: 2814.31, 0.00317467/step Wall: 2814.31, 0.00317467/step, 3.62071 hours remaining, 234.218750 MB of memory in use. ENERGY: 894200 4048.4336 20452.7839 14460.4134 241.6158 -203938.2542 2982.9862 0.0000 0.0000 52021.8797 -109730.1416 298.9705 -161752.0213 -109381.7448 299.0493 81.4032 117.7330 759275.7753 6.7345 6.5901 PRESSURE: 894400 185.684 56.8368 132.044 56.8362 -61.7719 -19.7533 132.044 -19.7533 5.82682 GPRESSURE: 894400 210.57 -40.2983 59.8748 115.597 -2.95089 -92.8938 108.014 -0.332353 4.1377 PRESSAVG: 894400 6.99308 -20.1543 22.8348 -20.1543 15.0304 -63.4002 22.8348 -63.4002 -3.12183 GPRESSAVG: 894400 7.08042 -20.3629 23.4777 -20.1745 15.569 -62.0878 22.8907 -64.9719 -3.47823 TIMING: 894400 CPU: 2814.94, 0.00315625/step Wall: 2814.94, 0.00315625/step, 3.59953 hours remaining, 234.218750 MB of memory in use. ENERGY: 894400 3962.2812 20377.1785 14505.6711 231.1039 -203923.3657 2766.8927 0.0000 0.0000 52219.7528 -109860.4854 300.1076 -162080.2382 -109492.2743 299.2459 43.2463 70.5857 759352.7044 6.3005 6.3904 PRESSURE: 894600 -99.5411 -131.877 -156.136 -131.877 -278.995 -103.608 -156.135 -103.608 -172.886 GPRESSURE: 894600 -164.587 -138.022 -188.73 -158.692 -160.027 2.66581 -84.184 -4.37151 -133.644 PRESSAVG: 894600 6.93219 -51.1056 29.9921 -51.1056 -24.786 -30.9761 29.9922 -30.9761 -25.2948 GPRESSAVG: 894600 7.49636 -52.2278 29.3407 -49.7162 -24.4316 -30.9307 31.2703 -30.9103 -25.6427 TIMING: 894600 CPU: 2815.58, 0.00315676/step Wall: 2815.58, 0.00315676/step, 3.59993 hours remaining, 234.218750 MB of memory in use. ENERGY: 894600 4012.9309 20376.6562 14417.7644 256.2205 -203403.2886 2730.0560 0.0000 0.0000 51549.6802 -110059.9803 296.2567 -161609.6605 -109702.6367 298.3983 -183.8073 -152.7525 761445.7731 -14.3829 -14.1927 PRESSURE: 894800 -256.358 260.889 72.7354 260.888 -232.141 -97.6473 72.7354 -97.648 281.417 GPRESSURE: 894800 -206.807 143.528 49.2127 201.688 -227.107 -132.224 96.1562 -120.383 338.156 PRESSAVG: 894800 3.3688 -32.2235 65.696 -32.2236 -2.53509 30.484 65.6961 30.4841 6.88104 GPRESSAVG: 894800 2.32095 -31.6087 67.4258 -32.2719 -3.26227 28.8861 64.0064 30.2009 8.84733 TIMING: 894800 CPU: 2816.2, 0.00314763/step Wall: 2816.2, 0.00314763/step, 3.58935 hours remaining, 234.218750 MB of memory in use. ENERGY: 894800 3940.7850 20361.3619 14435.5827 258.1877 -203488.1285 2412.0787 0.0000 0.0000 51982.9479 -110097.1846 298.7467 -162080.1324 -109725.3011 298.4606 -69.0272 -31.9190 760288.3142 2.5716 2.6353 PRESSURE: 895000 2.57132 50.9888 54.1862 50.9888 -284.307 44.1405 54.1862 44.1411 230.548 GPRESSURE: 895000 134.409 225.694 32.8885 17.115 -280.933 -15.064 -53.2896 9.25481 185.15 PRESSAVG: 895000 64.9913 -1.08923 -26.6346 -1.08922 -38.7619 50.1683 -26.6345 50.1683 32.8681 GPRESSAVG: 895000 67.0647 -2.83386 -26.3533 -2.20052 -39.7993 53.7517 -28.4037 50.5823 31.1559 TIMING: 895000 CPU: 2816.83, 0.00313503/step Wall: 2816.83, 0.00313503/step, 3.5748 hours remaining, 234.218750 MB of memory in use. ENERGY: 895000 3998.9328 20442.1059 14549.0719 258.5781 -203489.6391 2440.2021 0.0000 0.0000 51870.3756 -109930.3727 298.0998 -161800.7483 -109584.8137 298.4114 -17.0626 12.8753 759227.7065 19.6992 19.4738 PRESSURE: 895200 151.759 -115.144 -195.793 -115.143 -93.577 75.7693 -195.793 75.769 137.54 GPRESSURE: 895200 206.405 -73.3742 -149.527 -59.5233 -119.932 37.5574 -113.995 -19.4036 179.731 PRESSAVG: 895200 -9.37263 5.65815 19.6828 5.65815 32.6364 -5.53285 19.6829 -5.53283 -23.2404 GPRESSAVG: 895200 -11.3304 8.39855 20.4912 5.37263 33.757 -8.67346 21.6344 -4.62721 -22.8691 TIMING: 895200 CPU: 2817.46, 0.00315483/step Wall: 2817.46, 0.00315483/step, 3.5972 hours remaining, 234.218750 MB of memory in use. ENERGY: 895200 3998.2188 20364.3911 14360.2213 235.3580 -203523.1609 2775.9801 0.0000 0.0000 51838.6626 -109950.3290 297.9175 -161788.9916 -109584.1759 298.3871 65.2405 88.7349 759783.8574 0.0078 -0.1475 PRESSURE: 895400 36.7035 -176.197 -35.7214 -176.197 15.0701 -37.6517 -35.7218 -37.6506 158.576 GPRESSURE: 895400 -33.3912 -193.637 23.6397 -164.033 117.448 62.6876 -69.3983 -9.95175 206.633 PRESSAVG: 895400 -60.761 -25.2965 -48.0419 -25.2965 57.7745 -37.8393 -48.0418 -37.8393 8.79022 GPRESSAVG: 895400 -60.993 -27.4606 -49.3684 -23.6668 56.4433 -36.4339 -48.9767 -37.4012 10.2545 TIMING: 895400 CPU: 2818.09, 0.00315799/step Wall: 2818.09, 0.00315799/step, 3.60064 hours remaining, 234.218750 MB of memory in use. ENERGY: 895400 3931.7523 20394.7230 14363.7089 253.3661 -203327.7837 2355.2261 0.0000 0.0000 52060.6128 -109968.3944 299.1931 -162029.0072 -109606.1488 298.5229 70.1164 96.8966 761577.8305 1.9346 1.9016 PRESSURE: 895600 -104.219 -6.02682 37.007 -6.0274 -254.447 -50.1267 37.0067 -50.1265 -74.2338 GPRESSURE: 895600 3.93512 -52.9799 -30.1848 86.865 -204.217 -76.5546 190.557 -104.058 -132.408 PRESSAVG: 895600 -12.8514 22.962 -35.1699 22.9619 3.5885 -42.9128 -35.1699 -42.9128 -7.60346 GPRESSAVG: 895600 -10.8758 25.146 -35.2271 22.1827 3.72496 -43.2266 -33.5771 -43.4894 -10.0113 TIMING: 895600 CPU: 2818.73, 0.00316419/step Wall: 2818.73, 0.0031642/step, 3.60753 hours remaining, 234.218750 MB of memory in use. ENERGY: 895600 4006.1471 20388.2546 14446.3744 245.4028 -203139.1012 2477.0874 0.0000 0.0000 51706.1623 -109869.6726 297.1560 -161575.8348 -109509.8819 298.7709 -144.3001 -110.8965 760954.6068 -5.6221 -5.7207 PRESSURE: 895800 159.985 176.908 293.153 176.909 5.85746 112.116 293.153 112.116 -267.38 GPRESSURE: 895800 218.736 144.457 219.829 140.906 50.9878 101.451 417.215 161.733 -249.358 PRESSAVG: 895800 10.6933 44.4042 0.312282 44.4042 41.4293 -35.3884 0.312292 -35.3883 -2.69639 GPRESSAVG: 895800 9.06605 44.2285 -0.13296 43.2329 42.125 -36.5508 1.55733 -35.7955 -1.1202 TIMING: 895800 CPU: 2819.36, 0.00316077/step Wall: 2819.36, 0.00316077/step, 3.60346 hours remaining, 234.218750 MB of memory in use. ENERGY: 895800 3987.0153 20467.2033 14424.3737 241.7785 -203172.9741 2403.5476 0.0000 0.0000 51998.8106 -109650.2452 298.8379 -161649.0559 -109287.3675 298.8291 -33.8459 6.7885 760110.3978 16.4754 16.6903 PRESSURE: 896000 146.679 -6.57434 -178.347 -6.57401 -319.124 -52.7834 -178.346 -52.7825 -119.133 GPRESSURE: 896000 127.628 12.5272 -190.613 -11.5116 -277.854 -75.6731 -77.5829 -129.228 -61.655 PRESSAVG: 896000 50.0135 -63.6734 -0.355856 -63.6734 12.4062 -31.3461 -0.355784 -31.3462 3.15726 GPRESSAVG: 896000 50.1044 -63.8906 1.09658 -62.4523 12.0255 -31.7227 -1.9973 -32.7548 2.93304 TIMING: 896000 CPU: 2819.99, 0.00315187/step Wall: 2819.99, 0.00315187/step, 3.59313 hours remaining, 234.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 896000 3969.1474 20346.1334 14489.6288 241.8861 -202910.3868 2284.0253 0.0000 0.0000 51849.8069 -109729.7588 297.9816 -161579.5657 -109376.7788 298.6988 -97.1927 -70.6270 761213.0178 21.8590 21.6877 PRESSURE: 896200 84.1541 -6.11971 -142.298 -6.11949 -43.0187 -206.658 -142.298 -206.658 221.622 GPRESSURE: 896200 180.797 2.70957 -65.7657 67.4443 -66.1099 -82.1921 -168.675 -153.238 221.534 PRESSAVG: 896200 12.1788 -29.5539 11.79 -29.5539 -3.40618 2.24225 11.79 2.24231 -12.9152 GPRESSAVG: 896200 11.5481 -31.2942 11.5617 -29.3547 -2.91254 3.45931 9.44089 2.88793 -12.7687 TIMING: 896200 CPU: 2820.62, 0.00317331/step Wall: 2820.62, 0.00317331/step, 3.61739 hours remaining, 234.218750 MB of memory in use. ENERGY: 896200 3893.0758 20477.4293 14509.2224 245.8014 -203182.0679 2555.9447 0.0000 0.0000 51853.6638 -109646.9305 298.0037 -161500.5943 -109290.5491 298.4427 87.5859 112.0737 761793.6493 -1.3809 -1.3777 LDB: ============= START OF LOAD BALANCING ============== 2833.03 LDB: ============== END OF LOAD BALANCING =============== 2833.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2833.03 LDB: ============= START OF LOAD BALANCING ============== 2833.35 LDB: Largest compute 7078 load 0.033840 is 17.3% of average load 0.195878 LDB: Average compute 0.004377 is 2.2% of average load 0.195878 LDB: TIME 2833.35 LOAD: AVG 0.195878 MAX 0.213431 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.762 MB LDB: TIME 2833.35 LOAD: AVG 0.195878 MAX 0.213431 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: TIME 2833.35 LOAD: AVG 0.195878 MAX 0.213431 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: ============== END OF LOAD BALANCING =============== 2833.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2833.36 PRESSURE: 896400 -96.3365 -180.423 285.312 -180.423 -132.683 33.94 285.313 33.9397 -236.496 GPRESSURE: 896400 -92.4591 -169.744 208.686 -104.224 -108.634 64.8674 250.959 -30.9569 -162.33 PRESSAVG: 896400 23.4992 -43.0622 -22.62 -43.0622 -39.2861 -35.1944 -22.62 -35.1943 12.0168 GPRESSAVG: 896400 22.7137 -43.8705 -23.0433 -42.8905 -37.6643 -35.6163 -20.6274 -34.2227 11.2477 TIMING: 896400 CPU: 2821.28, 0.0032534/step Wall: 2821.28, 0.00325341/step, 3.70852 hours remaining, 235.761719 MB of memory in use. ENERGY: 896400 4043.5908 20448.8673 14422.5353 236.0283 -203099.0487 2398.6161 0.0000 0.0000 52019.5173 -109529.8935 298.9569 -161549.4108 -109162.8830 298.5626 -155.1717 -121.1412 762973.5284 -1.2567 -1.2343 PRESSURE: 896600 149.17 -81.4499 69.814 -81.4497 80.8466 -189.051 69.8138 -189.051 -111.33 GPRESSURE: 896600 99.0047 14.3487 36.9136 73.8367 126.45 -160.39 -47.4322 -143.361 -27.4831 PRESSAVG: 896600 63.8989 -12.527 41.6828 -12.527 -31.8669 -14.4801 41.6828 -14.4801 -12.3779 GPRESSAVG: 896600 64.6781 -10.1792 40.9123 -12.5117 -32.6498 -14.7602 41.1847 -15.0589 -12.2765 TIMING: 896600 CPU: 2821.91, 0.0031624/step Wall: 2821.91, 0.0031624/step, 3.60461 hours remaining, 235.832031 MB of memory in use. ENERGY: 896600 3987.2014 20659.4203 14480.5723 256.1142 -203666.8778 2753.2385 0.0000 0.0000 51937.2100 -109593.1211 298.4839 -161530.3310 -109247.5330 298.6839 39.5623 65.9905 760975.8186 6.5514 6.5840 PRESSURE: 896800 -268.83 -61.7112 243.828 -61.7112 -163.938 -55.5119 243.827 -55.5126 96.949 GPRESSURE: 896800 -128.307 -77.1905 313.704 -104.177 -158.672 1.70185 210.11 -151.448 36.4823 PRESSAVG: 896800 21.0784 0.0735646 -11.5889 0.0735102 -3.87957 -10.1419 -11.5889 -10.1418 1.92965 GPRESSAVG: 896800 22.3864 -0.203635 -9.87405 -1.51188 -5.28829 -10.0225 -12.1779 -10.8614 2.45898 TIMING: 896800 CPU: 2822.54, 0.00315882/step Wall: 2822.54, 0.00315882/step, 3.60035 hours remaining, 235.832031 MB of memory in use. ENERGY: 896800 3976.4203 20386.1254 14535.3564 235.1317 -203096.9704 2384.1133 0.0000 0.0000 51859.1556 -109720.6677 298.0353 -161579.8233 -109352.0031 298.1821 -111.9397 -83.4987 763106.3679 6.3762 6.5190 PRESSURE: 897000 -159.052 107.141 24.8563 107.141 -202.02 -70.7317 24.8547 -70.7327 -419.307 GPRESSURE: 897000 -106.557 146.679 57.8179 97.2786 -174.893 -73.3156 11.4009 -226.326 -396.666 PRESSAVG: 897000 -48.9696 -31.7805 -16.793 -31.7805 8.61163 25.8338 -16.7931 25.8339 -1.65354 GPRESSAVG: 897000 -49.9167 -32.6746 -18.2667 -30.1001 9.6033 24.7752 -15.586 27.8156 -1.26688 TIMING: 897000 CPU: 2823.18, 0.00317985/step Wall: 2823.18, 0.00317985/step, 3.62414 hours remaining, 235.832031 MB of memory in use. ENERGY: 897000 3976.3344 20499.4550 14466.3013 244.2140 -203258.3576 2599.1228 0.0000 0.0000 51817.3899 -109655.5401 297.7953 -161472.9301 -109301.4680 298.5600 -260.1262 -226.0386 763051.8688 -14.0038 -13.8601 PRESSURE: 897200 88.1757 -143.634 38.3034 -143.635 59.3562 98.4908 38.3032 98.4914 -227.489 GPRESSURE: 897200 180.157 -182.132 136.108 -57.0344 -0.881076 168.982 36.5665 77.5707 -178.397 PRESSAVG: 897200 -22.8756 -38.0792 -11.5635 -38.0793 3.82334 -9.78927 -11.5635 -9.78926 -2.60378 GPRESSAVG: 897200 -23.1475 -38.3749 -10.88 -40.1104 5.06133 -8.33222 -11.8119 -13.0531 -3.82993 TIMING: 897200 CPU: 2823.81, 0.0031923/step Wall: 2823.81, 0.0031923/step, 3.63815 hours remaining, 235.832031 MB of memory in use. ENERGY: 897200 3931.4997 20502.3686 14442.9194 240.3492 -203414.5774 2596.5375 0.0000 0.0000 52238.2871 -109462.6160 300.2142 -161700.9031 -109095.7101 298.8806 -26.6524 0.2928 763908.1094 -7.2187 -7.3054 PRESSURE: 897400 -103.393 24.8175 -78.0332 24.8173 -82.2636 -161.376 -78.0343 -161.377 204.328 GPRESSURE: 897400 -118.549 9.17431 -59.1385 109.269 -59.1417 -186.817 -139.009 -74.4051 261.393 PRESSAVG: 897400 -34.2019 11.1891 11.8857 11.189 21.5564 9.32742 11.8857 9.32742 10.1872 GPRESSAVG: 897400 -32.6988 11.8243 11.8141 12.2218 19.4909 9.143 11.1499 12.6625 10.5172 TIMING: 897400 CPU: 2824.45, 0.00316395/step Wall: 2824.45, 0.00316395/step, 3.60568 hours remaining, 235.832031 MB of memory in use. ENERGY: 897400 3891.0320 20551.0472 14499.1906 237.0035 -203160.2331 2421.0689 0.0000 0.0000 52077.1361 -109483.7549 299.2880 -161560.8910 -109120.1833 299.0654 6.2239 27.9006 763055.4794 -0.8194 -0.8969 PRESSURE: 897600 46.1916 -10.274 14.4544 -10.2736 -312.052 161.748 14.4546 161.748 143.76 GPRESSURE: 897600 123.73 43.81 140.985 -58.3238 -265.226 110.92 -130.127 122.982 92.4106 PRESSAVG: 897600 -37.9478 15.2655 -22.1477 15.2655 46.4647 -27.5009 -22.1477 -27.5009 -6.50236 GPRESSAVG: 897600 -38.9675 15.4223 -21.1564 15.8529 46.586 -25.8859 -23.1033 -31.1525 -5.93976 TIMING: 897600 CPU: 2825.08, 0.00316868/step Wall: 2825.08, 0.00316868/step, 3.61089 hours remaining, 235.832031 MB of memory in use. ENERGY: 897600 3994.5214 20433.5898 14503.9984 239.6512 -203309.6954 2552.2705 0.0000 0.0000 51924.8548 -109660.8091 298.4129 -161585.6640 -109300.3677 298.9600 -40.7004 -16.3618 762270.8267 0.6715 0.5596 PRESSURE: 897800 369.409 -89.5469 -138.744 -89.5475 16.167 50.25 -138.744 50.249 -196.688 GPRESSURE: 897800 373.964 -89.6687 -144.713 -158.745 90.8037 33.5202 -147.012 78.4474 -203.441 PRESSAVG: 897800 -9.31481 -92.0445 -2.14133 -92.0446 39.0583 28.7243 -2.14134 28.7244 -6.7126 GPRESSAVG: 897800 -9.3929 -91.7299 -2.56889 -94.9533 39.2853 27.4078 -0.683754 31.6151 -7.31138 TIMING: 897800 CPU: 2825.71, 0.00316706/step Wall: 2825.71, 0.00316706/step, 3.60887 hours remaining, 235.832031 MB of memory in use. ENERGY: 897800 3971.2672 20530.8371 14482.4842 249.2646 -203717.3089 2912.7031 0.0000 0.0000 51717.6898 -109853.0630 297.2223 -161570.7528 -109492.1704 298.1441 62.9627 87.1089 762765.7059 7.6770 7.5270 PRESSURE: 898000 -186.517 -20.3634 149.128 -20.364 -90.716 79.649 149.126 79.6486 293.737 GPRESSURE: 898000 -29.9774 -0.912859 186.553 -8.76355 -151.831 68.8151 172.377 74.8581 281.73 PRESSAVG: 898000 -32.2371 -87.4936 7.4682 -87.4936 45.8776 1.12243 7.46822 1.12243 -3.76774 GPRESSAVG: 898000 -30.3263 -87.3721 7.41856 -86.2795 44.2028 2.19855 8.65567 0.108809 -4.09672 TIMING: 898000 CPU: 2826.35, 0.00316619/step Wall: 2826.35, 0.00316619/step, 3.6077 hours remaining, 235.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 898000 3950.4538 20359.0061 14548.7485 236.9142 -203412.8091 2606.3214 0.0000 0.0000 51796.7252 -109914.6400 297.6765 -161711.3652 -109550.6865 298.4149 5.5013 33.3073 761567.4452 3.2909 3.2599 PRESSURE: 898200 -191.966 70.8799 -99.7899 70.8796 32.4579 46.5188 -99.7895 46.5188 -78.6854 GPRESSURE: 898200 -180.761 -33.7027 -47.4735 35.9105 42.8546 -11.1429 -22.5507 64.6179 -15.7181 PRESSAVG: 898200 34.3724 -113.326 -25.5743 -113.326 -77.1466 -32.4891 -25.5743 -32.4892 17.9849 GPRESSAVG: 898200 32.5932 -113.294 -23.4194 -111.985 -75.6505 -34.591 -27.2288 -31.7868 17.9902 TIMING: 898200 CPU: 2826.98, 0.003172/step Wall: 2826.98, 0.003172/step, 3.61414 hours remaining, 235.832031 MB of memory in use. ENERGY: 898200 3934.7106 20433.2287 14507.7230 253.4577 -203316.8642 2400.8206 0.0000 0.0000 51923.3697 -109863.5538 298.4043 -161786.9236 -109511.9577 298.2585 -79.3977 -51.2081 760639.7014 -8.2631 -8.3557 PRESSURE: 898400 -68.7681 150.247 -45.0287 150.247 203.079 118.212 -45.0286 118.212 -142.533 GPRESSURE: 898400 -27.483 116.374 -28.7365 205.203 261.277 59.4372 43.067 110.994 -138.102 PRESSAVG: 898400 -98.5792 -46.1401 -17.739 -46.1401 78.6167 -49.2283 -17.7391 -49.2283 16.3014 GPRESSAVG: 898400 -98.8755 -44.3543 -19.9289 -49.5004 79.5965 -48.2169 -17.1688 -49.2536 15.8617 TIMING: 898400 CPU: 2827.62, 0.00317956/step Wall: 2827.62, 0.00317956/step, 3.62258 hours remaining, 235.832031 MB of memory in use. ENERGY: 898400 3989.0867 20328.5698 14510.0424 246.7978 -203705.8008 2836.6172 0.0000 0.0000 51907.8608 -109886.8260 298.3152 -161794.6869 -109528.2804 298.6753 -2.7408 31.8972 761003.3549 -1.2204 -1.1391 PRESSURE: 898600 -381.257 -13.456 -1.4294 -13.4567 143.99 73.1935 -1.42781 73.1948 72.4236 GPRESSURE: 898600 -254.992 24.785 -84.4537 -97.1554 106.387 68.2427 79.8934 108.158 56.8214 PRESSAVG: 898600 -32.2225 -23.6194 -17.8023 -23.6194 34.9694 27.1539 -17.8023 27.1538 -24.7303 GPRESSAVG: 898600 -30.9303 -27.4379 -19.0582 -20.5455 33.5241 28.9898 -15.5105 29.1273 -24.2421 TIMING: 898600 CPU: 2828.25, 0.00316807/step Wall: 2828.25, 0.00316807/step, 3.60931 hours remaining, 235.832031 MB of memory in use. ENERGY: 898600 3961.6561 20510.3815 14484.9220 239.9619 -203788.1058 2724.4094 0.0000 0.0000 52142.2519 -109724.5230 299.6622 -161866.7749 -109356.0867 298.6508 -54.9477 -30.5946 761541.5684 -7.3278 -7.2161 PRESSURE: 898800 1.18858 -25.3251 483.675 -25.3251 322.869 263.717 483.676 263.717 126.927 GPRESSURE: 898800 31.7123 10.1821 426.571 -73.8966 316.871 250.341 356.888 127.187 157.228 PRESSAVG: 898800 -64.8512 -44.7303 22.9778 -44.7303 49.4683 -12.6748 22.9778 -12.6748 6.59792 GPRESSAVG: 898800 -65.9464 -43.0283 23.4823 -46.0934 50.5235 -13.3757 18.0461 -12.7571 6.74226 TIMING: 898800 CPU: 2828.88, 0.00315529/step Wall: 2828.88, 0.00315529/step, 3.59458 hours remaining, 235.832031 MB of memory in use. ENERGY: 898800 3985.6691 20691.5182 14479.8372 274.5973 -203691.7129 2761.3085 0.0000 0.0000 51845.0822 -109653.7004 297.9544 -161498.7826 -109294.5695 299.1377 150.3284 168.6038 760839.6109 -2.9283 -2.8935 PRESSURE: 899000 -26.2742 -40.4526 160.054 -40.4529 251.876 129.089 160.054 129.089 205.371 GPRESSURE: 899000 76.9869 124.262 63.7216 -162.111 216.202 116.409 126.863 48.0319 217.013 PRESSAVG: 899000 6.82503 -31.0253 -40.6562 -31.0253 6.00422 24.4331 -40.6563 24.4331 34.8519 GPRESSAVG: 899000 7.09949 -31.396 -41.0817 -30.8353 6.79956 23.2745 -37.2515 22.6834 33.623 TIMING: 899000 CPU: 2829.51, 0.00315375/step Wall: 2829.51, 0.00315375/step, 3.59264 hours remaining, 235.832031 MB of memory in use. ENERGY: 899000 3961.0026 20678.8742 14499.0391 242.7083 -203048.7848 2380.7714 0.0000 0.0000 51834.9678 -109451.4216 297.8963 -161286.3894 -109093.7975 299.4698 143.6577 170.0673 762571.9835 15.8937 15.8407 PRESSURE: 899200 161.373 -65.5204 -173.375 -65.5202 56.0306 27.9384 -173.374 27.9383 -74.1577 GPRESSURE: 899200 218.577 28.8263 -202.504 -112.415 36.6859 70.982 -60.4208 -47.8967 -26.839 PRESSAVG: 899200 -27.461 -4.65852 11.1678 -4.6585 21.6569 -21.1896 11.1679 -21.1896 30.0726 GPRESSAVG: 899200 -27.5751 -5.13266 11.5848 -4.66 21.3435 -20.253 12.0142 -22.0315 30.8364 TIMING: 899200 CPU: 2830.14, 0.00316065/step Wall: 2830.14, 0.00316065/step, 3.60033 hours remaining, 235.832031 MB of memory in use. ENERGY: 899200 3984.4648 20548.3480 14454.5756 241.6953 -203756.4718 2762.6449 0.0000 0.0000 52150.8652 -109613.8780 299.7117 -161764.7432 -109245.2517 299.7434 47.7486 76.1414 761892.4058 8.0895 8.2016 PRESSURE: 899400 -121.337 -90.0542 -55.7309 -90.0542 -160.005 24.696 -55.7305 24.6966 -107.814 GPRESSURE: 899400 -30.9472 -0.603859 -133.402 -78.1445 -135 29.329 12.3706 15.6884 -146.1 PRESSAVG: 899400 -10.8669 -10.754 -62.0806 -10.754 14.6392 28.9423 -62.0806 28.9423 -5.69634 GPRESSAVG: 899400 -11.1348 -9.51749 -60.9734 -11.7371 14.932 28.476 -63.9834 32.366 -5.61988 TIMING: 899400 CPU: 2830.78, 0.00315917/step Wall: 2830.78, 0.00315917/step, 3.59847 hours remaining, 235.832031 MB of memory in use. ENERGY: 899400 3972.2794 20444.5202 14457.0522 266.3044 -203416.9675 2548.5965 0.0000 0.0000 52150.1327 -109578.0820 299.7075 -161728.2147 -109209.3564 299.6568 -129.7188 -104.0158 762319.5519 -0.6413 -0.6075 PRESSURE: 899600 -58.1584 -118.116 -227.273 -118.116 -196.644 -83.2869 -227.274 -83.2864 -57.773 GPRESSURE: 899600 -13.817 -216.146 -213.27 -54.2302 -169.771 -76.2761 -206.054 -21.1217 -30.098 PRESSAVG: 899600 -20.0513 -29.3037 -29.8656 -29.3038 19.8448 -57.6461 -29.8657 -57.6461 27.0254 GPRESSAVG: 899600 -19.0513 -30.0568 -32.2905 -29.2125 18.5679 -57.7226 -27.3642 -60.1999 26.5882 TIMING: 899600 CPU: 2831.41, 0.00317046/step Wall: 2831.41, 0.00317046/step, 3.61115 hours remaining, 235.832031 MB of memory in use. ENERGY: 899600 4024.8363 20669.0610 14525.6039 261.8825 -203711.4376 2579.5889 0.0000 0.0000 52077.9579 -109572.5071 299.2927 -161650.4650 -109205.4107 299.3002 -104.1918 -71.2288 761092.1877 8.9396 8.7016 PRESSURE: 899800 156.048 -84.1237 67.3304 -84.1238 140.175 -90.155 67.3316 -90.1547 168.911 GPRESSURE: 899800 221.818 -6.48202 77.5453 25.3625 121.718 13.9563 147.775 -9.86029 212.715 PRESSAVG: 899800 14.0614 -57.0214 21.0839 -57.0214 3.32758 -0.4307 21.0838 -0.430688 -3.82105 GPRESSAVG: 899800 13.1512 -56.5232 24.227 -56.7123 4.11211 0.849451 19.1877 0.367944 -3.55043 TIMING: 899800 CPU: 2832.04, 0.00314576/step Wall: 2832.04, 0.00314576/step, 3.58284 hours remaining, 235.832031 MB of memory in use. ENERGY: 899800 3924.3270 20578.5250 14434.4160 241.7668 -203869.7504 2763.4702 0.0000 0.0000 52185.3818 -109741.8636 299.9101 -161927.2453 -109375.7696 299.1908 155.0448 185.4169 760284.4592 4.5226 4.5710 PRESSURE: 900000 69.8326 -131.814 -99.4781 -131.815 -207.799 193.438 -99.4779 193.437 163.592 GPRESSURE: 900000 15.3836 -103.467 -243.865 -179.12 -92.9242 117.619 -77.2997 133.802 198.26 PRESSAVG: 900000 30.9884 -55.7684 -71.3413 -55.7684 -24.9028 15.9628 -71.3413 15.9628 5.50159 GPRESSAVG: 900000 32.2185 -57.7538 -71.8934 -54.8801 -25.1999 14.5506 -71.8595 15.0488 5.6463 TIMING: 900000 CPU: 2832.67, 0.00316353/step Wall: 2832.67, 0.00316353/step, 3.60291 hours remaining, 235.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 900000 3977.9305 20460.5373 14462.7919 225.1510 -203500.4288 2570.3892 0.0000 0.0000 52036.1361 -109767.4927 299.0524 -161803.6289 -109403.1696 298.9633 8.5420 40.2400 760953.5173 3.8624 4.2216 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.012 seconds, 235.832 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 -24.4942 3.5893 116.002 3.59024 50.4842 -277.983 116.003 -277.982 84.7616 GPRESSURE: 900200 3.84819 -106.015 150.311 -25.353 152.797 -282.422 39.3363 -118.084 29.3476 PRESSAVG: 900200 11.479 -32.5776 -8.44772 -32.5775 13.1399 -21.4949 -8.44772 -21.4949 -20.2037 GPRESSAVG: 900200 10.7459 -31.0294 -8.78203 -32.586 12.5546 -21.4405 -7.94897 -21.1236 -19.0522 TIMING: 900200 CPU: 2833.32, 0.00325636/step Wall: 2833.32, 0.00325636/step, 3.70845 hours remaining, 237.683594 MB of memory in use. ENERGY: 900200 3998.7016 20550.6662 14483.5579 240.4928 -203802.4075 2774.3785 0.0000 0.0000 51837.0430 -109917.5675 297.9082 -161754.6104 -109556.9329 298.6948 36.9172 61.9975 761202.5996 1.4718 1.4161 LDB: ============= START OF LOAD BALANCING ============== 2845.72 LDB: ============== END OF LOAD BALANCING =============== 2845.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2845.72 LDB: ============= START OF LOAD BALANCING ============== 2846.04 LDB: Largest compute 7035 load 0.032024 is 16.3% of average load 0.195935 LDB: Average compute 0.004371 is 2.2% of average load 0.195935 LDB: TIME 2846.04 LOAD: AVG 0.195935 MAX 0.212996 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.93 MB LDB: TIME 2846.04 LOAD: AVG 0.195935 MAX 0.212996 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.996 MB LDB: TIME 2846.04 LOAD: AVG 0.195935 MAX 0.212996 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.996 MB LDB: ============== END OF LOAD BALANCING =============== 2846.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2846.05 PRESSURE: 900400 -439.32 -75.303 -218.6 -75.3021 -406.914 74.8784 -218.601 74.8783 -510.848 GPRESSURE: 900400 -476.052 14.9824 -193.319 -30.0968 -324 89.4821 -252.202 97.617 -454.087 PRESSAVG: 900400 -23.5686 -39.6019 1.92005 -39.6018 -43.9237 -35.8008 1.92009 -35.8008 20.991 GPRESSAVG: 900400 -23.7079 -39.4789 1.78786 -40.1793 -41.9226 -34.3618 1.14526 -34.2995 18.9242 TIMING: 900400 CPU: 2833.97, 0.0032233/step Wall: 2833.97, 0.0032233/step, 3.67062 hours remaining, 236.671875 MB of memory in use. ENERGY: 900400 4095.2209 20614.8822 14479.4086 235.1266 -203658.0641 2507.1490 0.0000 0.0000 51817.8485 -109908.4283 297.7979 -161726.2768 -109541.2400 298.2465 -452.3604 -418.0466 762280.1237 -15.5004 -15.5688 PRESSURE: 900600 -155.658 -71.8741 42.085 -71.874 107.893 -120.872 42.0848 -120.872 -36.7476 GPRESSURE: 900600 -192.7 -45.9936 42.8051 -230.408 204.383 -125.092 82.6222 14.0146 -1.74453 PRESSAVG: 900600 -59.8275 -125.407 -86.8076 -125.407 22.4652 32.7999 -86.8075 32.8 -1.35327 GPRESSAVG: 900600 -59.7453 -126.833 -88.2771 -125.455 21.1682 30.8794 -85.9927 32.3676 -0.0297493 TIMING: 900600 CPU: 2834.6, 0.00316656/step Wall: 2834.6, 0.00316656/step, 3.60583 hours remaining, 236.914062 MB of memory in use. ENERGY: 900600 4014.7464 20323.8643 14480.9860 228.7115 -203296.3502 2367.5713 0.0000 0.0000 51875.7406 -110004.7302 298.1306 -161880.4707 -109638.6024 298.1120 -28.1708 3.3128 760687.0760 -12.9052 -12.8689 PRESSURE: 900800 406.765 71.3879 -107.217 71.3881 562.318 282.943 -107.217 282.943 684.377 GPRESSURE: 900800 512.352 -17.1787 -202.007 -20.0155 562.372 355.055 54.423 373.393 645.065 PRESSAVG: 900800 -17.3671 -72.2808 -26.3027 -72.2808 32.0447 56.9031 -26.3027 56.9031 -2.87099 GPRESSAVG: 900800 -17.4815 -72.7854 -23.8829 -73.5647 31.5458 57.4691 -27.2379 56.656 -2.93018 TIMING: 900800 CPU: 2835.23, 0.00314247/step Wall: 2835.23, 0.00314247/step, 3.57822 hours remaining, 236.914062 MB of memory in use. ENERGY: 900800 3990.1947 20372.8386 14414.8072 248.6148 -204126.8952 2929.2384 0.0000 0.0000 52188.7774 -109982.4241 299.9296 -162171.2015 -109612.1927 298.5022 551.1532 573.2630 759236.0422 3.9355 3.7114 PRESSURE: 901000 108.971 -126.498 91.5902 -126.498 -60.5024 48.8911 91.5901 48.891 298.533 GPRESSURE: 901000 90.4346 -54.6839 90.5737 -77.2946 8.7676 -11.5418 12.0604 124.36 335.018 PRESSAVG: 901000 16.6118 -50.0566 18.2663 -50.0566 10.3399 19.4726 18.2664 19.4725 -6.30763 GPRESSAVG: 901000 17.8381 -47.1046 17.4275 -49.4859 9.60263 19.8713 20.0158 18.706 -6.36877 TIMING: 901000 CPU: 2835.86, 0.00314364/step Wall: 2835.86, 0.00314364/step, 3.57938 hours remaining, 236.914062 MB of memory in use. ENERGY: 901000 3936.2857 20400.2701 14483.3436 231.0101 -203771.1354 2577.7491 0.0000 0.0000 52166.2600 -109976.2169 299.8002 -162142.4769 -109617.1628 299.1954 115.6672 144.7401 760126.8405 6.8814 7.0240 PRESSURE: 901200 148.999 22.5796 7.60775 22.5802 -608.535 -110.736 7.60776 -110.735 -261.701 GPRESSURE: 901200 128.668 -11.8915 51.8852 -150.272 -547.774 -135.729 -32.5956 -16.9705 -200.792 PRESSAVG: 901200 -2.03952 -49.1232 0.311468 -49.1232 -48.285 -63.722 0.311499 -63.7221 -20.3669 GPRESSAVG: 901200 -1.67104 -50.3666 0.0784371 -50.0013 -48.6671 -62.6385 -1.98624 -62.3424 -20.1214 TIMING: 901200 CPU: 2836.49, 0.00315224/step Wall: 2836.49, 0.00315224/step, 3.589 hours remaining, 236.914062 MB of memory in use. ENERGY: 901200 3950.4990 20539.6344 14439.2230 225.9266 -203542.6991 2502.0398 0.0000 0.0000 51902.0800 -109983.2963 298.2820 -161885.3764 -109620.4402 298.2469 -240.4126 -206.6324 760223.7193 -23.5638 -23.4865 PRESSURE: 901400 16.1892 -111.85 63.8829 -111.85 158.871 65.0384 63.8817 65.0397 320.369 GPRESSURE: 901400 44.8392 -70.446 66.0608 -91.5125 217.594 82.0558 114.346 35.1136 321.545 PRESSAVG: 901400 -17.6057 -38.2068 -5.54156 -38.2068 -19.7739 16.1668 -5.54154 16.1668 -16.3513 GPRESSAVG: 901400 -18.3588 -38.6471 -5.12352 -39.189 -19.8584 15.2396 -3.4986 15.6917 -15.8279 TIMING: 901400 CPU: 2837.12, 0.00314255/step Wall: 2837.12, 0.00314255/step, 3.57779 hours remaining, 236.914062 MB of memory in use. ENERGY: 901400 3945.0466 20261.3202 14475.9413 219.8772 -203517.7354 2633.1164 0.0000 0.0000 51945.2314 -110037.2022 298.5300 -161982.4336 -109677.6862 298.2735 165.1431 194.6595 759795.3545 -17.9103 -18.0150 PRESSURE: 901600 270.441 -139.514 -131.197 -139.514 -319.233 238.841 -131.197 238.841 -370.818 GPRESSURE: 901600 257.653 -202.25 -37.9666 -149.16 -272.259 168.671 -165.922 302.411 -326.25 PRESSAVG: 901600 5.48127 -43.7411 -52.6774 -43.7412 -30.9893 -4.92685 -52.6775 -4.92685 6.47954 GPRESSAVG: 901600 5.27766 -42.4818 -52.818 -43.5813 -30.9242 -4.33677 -51.2869 -5.86896 6.8309 TIMING: 901600 CPU: 2837.75, 0.00315278/step Wall: 2837.75, 0.00315278/step, 3.58927 hours remaining, 236.914062 MB of memory in use. ENERGY: 901600 3938.6631 20390.8456 14465.0417 232.9246 -203484.5471 2445.8325 0.0000 0.0000 52018.9457 -109992.2938 298.9536 -162011.2395 -109631.2030 298.1529 -139.8701 -113.6187 762504.7804 -6.3428 -6.2719 PRESSURE: 901800 311.74 182.514 -58.5379 182.515 133.432 -105.244 -58.5375 -105.244 -1.84517 GPRESSURE: 901800 295.634 225.058 -66.2835 249.188 179.302 -99.217 -67.8689 -104.676 39.8755 PRESSAVG: 901800 17.4005 -15.4727 -14.5169 -15.4727 -31.9498 -28.4788 -14.517 -28.4788 9.38295 GPRESSAVG: 901800 17.7087 -16.3824 -15.6132 -14.4005 -31.7066 -27.979 -14.3787 -28.4126 8.82835 TIMING: 901800 CPU: 2838.37, 0.00312741/step Wall: 2838.37, 0.00312741/step, 3.56021 hours remaining, 236.914062 MB of memory in use. ENERGY: 901800 3982.4210 20604.4008 14409.1238 253.9157 -204251.4245 3073.2823 0.0000 0.0000 52083.6901 -109844.5909 299.3257 -161928.2809 -109493.5025 298.7233 147.7757 171.6039 759782.8536 -1.7221 -1.7232 PRESSURE: 902000 -198.275 -255.893 -97.4209 -255.893 129.231 -60.8516 -97.4214 -60.8522 8.39811 GPRESSURE: 902000 -177.247 -294.598 -156.98 -164.456 141.558 -45.4873 -231.021 -110.22 50.7018 PRESSAVG: 902000 72.5423 -44.6805 -70.8257 -44.6805 -33.4156 -4.68439 -70.8257 -4.68451 10.1687 GPRESSAVG: 902000 71.3647 -45.4505 -68.589 -44.1227 -32.3591 -6.24801 -71.4993 -4.65998 9.79194 TIMING: 902000 CPU: 2839.01, 0.00316345/step Wall: 2839.01, 0.00316345/step, 3.60106 hours remaining, 236.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 902000 4020.3772 20648.5279 14416.9228 246.7092 -203636.5071 2556.2480 0.0000 0.0000 51962.0676 -109785.6543 298.6267 -161747.7219 -109431.8277 299.0105 -20.2153 5.0041 762075.5265 16.4318 16.2658 PRESSURE: 902200 98.1792 -240.507 163.133 -240.506 -343.661 193.585 163.133 193.584 -17.4466 GPRESSURE: 902200 122.876 -137.602 182.075 -314.379 -312.865 184.643 138.918 112.011 3.84446 PRESSAVG: 902200 33.0059 -66.2247 5.31036 -66.2247 -66.1592 -39.5681 5.31033 -39.5682 17.7279 GPRESSAVG: 902200 34.4559 -63.9753 3.23036 -67.5876 -67.2944 -39.5318 4.0547 -39.6619 17.913 TIMING: 902200 CPU: 2839.64, 0.00317096/step Wall: 2839.64, 0.00317096/step, 3.60943 hours remaining, 236.914062 MB of memory in use. ENERGY: 902200 4038.6978 20514.7227 14404.4465 245.8659 -203427.3963 2379.6413 0.0000 0.0000 52038.2581 -109805.7641 299.0646 -161844.0222 -109451.5998 299.0834 -87.6426 -62.0481 761199.9154 -5.1418 -4.9751 PRESSURE: 902400 105.028 84.6604 -8.28026 84.6601 -216.131 -48.5486 -8.28011 -48.5474 -103.681 GPRESSURE: 902400 133.282 62.4787 79.9802 87.3994 -193.511 -111.147 56.8291 -90.7526 -61.1026 PRESSAVG: 902400 -57.6113 -51.9849 -32.2279 -51.9849 31.7023 6.20378 -32.2279 6.20377 -5.39806 GPRESSAVG: 902400 -57.9452 -54.3471 -31.7912 -51.0773 31.0555 6.59423 -30.2642 6.49923 -4.13405 TIMING: 902400 CPU: 2840.27, 0.00316758/step Wall: 2840.27, 0.00316758/step, 3.60541 hours remaining, 236.914062 MB of memory in use. ENERGY: 902400 4046.4536 20504.2812 14386.3129 254.1736 -203748.5979 2786.2731 0.0000 0.0000 52024.6985 -109746.4050 298.9867 -161771.1036 -109375.4404 298.7699 -71.5945 -40.4436 762138.2265 -10.4357 -10.3412 PRESSURE: 902600 -311.167 111.8 133.196 111.8 157.389 53.9603 133.196 53.9593 -55.4698 GPRESSURE: 902600 -276.537 43.2564 15.8924 133.988 149.318 -9.1175 -58.6831 33.0074 11.2243 PRESSAVG: 902600 7.77501 -6.08618 -22.9061 -6.08617 -43.8491 -0.292831 -22.9062 -0.292726 26.8739 GPRESSAVG: 902600 6.24815 -4.85468 -22.1156 -7.20542 -41.9395 0.305671 -26.5302 -1.63896 26.5634 TIMING: 902600 CPU: 2840.9, 0.00314766/step Wall: 2840.9, 0.00314766/step, 3.58256 hours remaining, 236.914062 MB of memory in use. ENERGY: 902600 4027.2310 20606.9423 14440.4019 253.1382 -203371.3939 2431.3601 0.0000 0.0000 52022.0489 -109590.2715 298.9714 -161612.3204 -109226.3783 298.7747 -69.7495 -38.6650 762012.0523 -3.0667 -3.0426 PRESSURE: 902800 -254.981 -111.855 209.979 -111.855 141.853 -107.72 209.978 -107.72 462.688 GPRESSURE: 902800 -194.813 -68.3859 131.254 -110.124 107.525 -19.2189 261.575 -201.552 530.464 PRESSAVG: 902800 83.3658 -66.585 -43.9679 -66.585 -75.6188 -5.66283 -43.9679 -5.66282 -21.5459 GPRESSAVG: 902800 83.9605 -66.3809 -45.2993 -67.1126 -75.7801 -5.95841 -40.964 -3.8388 -22.1411 TIMING: 902800 CPU: 2841.53, 0.00314435/step Wall: 2841.53, 0.00314435/step, 3.57862 hours remaining, 236.914062 MB of memory in use. ENERGY: 902800 3892.6954 20607.0084 14407.1324 235.0576 -203458.9538 2419.4106 0.0000 0.0000 52183.1216 -109714.5280 299.8971 -161897.6496 -109361.0379 299.2216 116.5198 147.7251 761044.0442 -4.5996 -4.6536 PRESSURE: 903000 145.519 173.258 30.7234 173.257 -229.41 -45.7827 30.7231 -45.7837 -101.528 GPRESSURE: 903000 116.629 152.653 56.5273 163.413 -91.462 -13.7081 42.9652 33.65 -147.036 PRESSAVG: 903000 9.26365 -2.32608 18.5348 -2.32609 -52.4414 -10.4028 18.5348 -10.4027 11.4518 GPRESSAVG: 903000 11.5149 -2.68591 19.5355 -2.44381 -53.7574 -10.0765 19.2432 -9.91627 10.8589 TIMING: 903000 CPU: 2842.16, 0.00315343/step Wall: 2842.16, 0.00315343/step, 3.58878 hours remaining, 236.914062 MB of memory in use. ENERGY: 903000 3965.8076 20403.5320 14382.9673 228.7778 -203544.5528 2700.8387 0.0000 0.0000 52318.1097 -109544.5197 300.6729 -161862.6293 -109176.9848 299.1623 -61.8065 -40.6230 760212.5852 -10.5753 -10.4612 PRESSURE: 903200 0.294575 -345.026 -72.9423 -345.026 -41.4067 -122.145 -72.9419 -122.144 -121.685 GPRESSURE: 903200 -5.74107 -293.766 -76.8238 -261.204 9.70829 -134.795 22.4109 4.33465 -90.9405 PRESSAVG: 903200 21.6545 -13.964 -50.1136 -13.9639 19.0086 -21.3017 -50.1136 -21.3018 -28.5273 GPRESSAVG: 903200 18.8073 -14.1365 -49.9847 -12.101 19.3455 -21.8902 -50.9987 -23.2149 -26.6013 TIMING: 903200 CPU: 2842.79, 0.00313672/step Wall: 2842.79, 0.00313672/step, 3.56959 hours remaining, 236.914062 MB of memory in use. ENERGY: 903200 4013.3174 20520.3024 14482.7809 253.5871 -202959.3680 2393.8242 0.0000 0.0000 51804.3769 -109491.1789 297.7205 -161295.5559 -109136.6674 299.4959 -54.2658 -28.9911 760819.7365 4.0453 3.8505 PRESSURE: 903400 -193.211 187.29 223.326 187.29 -479.727 -47.7593 223.325 -47.7588 -216.102 GPRESSURE: 903400 -212.176 261.188 230.98 285.766 -317.034 -113.898 262.953 -125.537 -273.887 PRESSAVG: 903400 70.9593 -24.0572 -28.8286 -24.0573 -29.974 -8.7612 -28.8286 -8.76114 31.4424 GPRESSAVG: 903400 72.5726 -24.683 -28.432 -22.8726 -29.6507 -8.47865 -29.78 -7.57863 29.3443 TIMING: 903400 CPU: 2843.42, 0.00314054/step Wall: 2843.42, 0.00314054/step, 3.57376 hours remaining, 236.914062 MB of memory in use. ENERGY: 903400 3964.2658 20550.4871 14460.4622 260.9448 -202791.9080 1990.7833 0.0000 0.0000 52170.1163 -109394.8484 299.8224 -161564.9647 -109027.7364 299.1877 -296.3467 -267.6988 759644.9868 24.1426 24.0887 PRESSURE: 903600 -103.401 -65.6328 221.834 -65.6335 157.583 -222.758 221.834 -222.758 22.5345 GPRESSURE: 903600 -28.0568 -37.5393 233.003 -95.7853 186.802 -234.377 208.615 -117.609 15.916 PRESSAVG: 903600 35.1663 -24.2013 -29.8373 -24.2013 -42.4537 -24.1228 -29.8372 -24.1228 -1.00118 GPRESSAVG: 903600 34.9204 -23.4557 -30.4047 -26.0992 -42.5015 -22.9882 -28.3045 -23.7036 -0.871176 TIMING: 903600 CPU: 2844.05, 0.00313898/step Wall: 2844.05, 0.00313898/step, 3.57181 hours remaining, 236.914062 MB of memory in use. ENERGY: 903600 4049.9633 20438.4098 14511.7981 251.6480 -203412.5623 2608.3691 0.0000 0.0000 52099.9282 -109452.4458 299.4190 -161552.3741 -109089.0148 299.0896 25.5722 58.2205 759582.5616 -2.7629 -2.8174 PRESSURE: 903800 -251.739 74.2497 -211.452 74.2507 -186.377 18.8517 -211.452 18.8518 144.226 GPRESSURE: 903800 -210.666 0.147317 -236.213 -39.6354 -185.897 51.313 -241.051 -28.8907 162.319 PRESSAVG: 903800 -33.7639 -11.8608 -39.8327 -11.8607 -25.7641 24.7649 -39.8327 24.765 10.5912 GPRESSAVG: 903800 -32.6931 -12.7833 -41.0888 -10.8426 -27.2621 23.3225 -41.8655 24.9383 10.7957 TIMING: 903800 CPU: 2844.68, 0.00316366/step Wall: 2844.68, 0.00316366/step, 3.59972 hours remaining, 236.914062 MB of memory in use. ENERGY: 903800 4076.8811 20533.1427 14471.9786 257.1303 -203335.3140 2514.4890 0.0000 0.0000 51998.9204 -109482.7719 298.8385 -161481.6923 -109124.5921 299.3316 -97.9637 -78.0815 759607.1291 -16.3123 -16.3865 PRESSURE: 904000 36.4148 -171.926 -261.209 -171.926 -30.6026 270.444 -261.209 270.444 355.859 GPRESSURE: 904000 -80.554 -168.109 -166.208 -166.864 149.446 161.301 -239.623 199.234 370.393 PRESSAVG: 904000 39.0777 -23.7524 -20.095 -23.7524 -37.1868 6.56092 -20.095 6.56087 -10.455 GPRESSAVG: 904000 36.4688 -24.4864 -19.4569 -24.2896 -35.3328 6.17309 -19.5656 5.81376 -10.4035 TIMING: 904000 CPU: 2845.31, 0.00315718/step Wall: 2845.31, 0.00315718/step, 3.59217 hours remaining, 236.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 904000 3980.3101 20606.5391 14457.5009 250.1542 -203397.9818 2450.8534 0.0000 0.0000 51991.5351 -109661.0889 298.7961 -161652.6240 -109297.2384 299.3166 120.5572 146.4284 760623.9304 -2.8547 -3.0892 PRESSURE: 904200 68.0227 11.1757 76.6691 11.1763 -75.5129 139.082 76.6695 139.082 -212.75 GPRESSURE: 904200 63.5114 160.407 91.1779 39.1476 24.6804 7.09626 -131.33 124.986 -234.774 PRESSAVG: 904200 32.3369 -20.8108 -32.213 -20.8108 -24.245 1.09267 -32.2129 1.0927 11.0506 GPRESSAVG: 904200 33.3288 -18.0991 -31.1551 -19.535 -23.8856 1.80034 -32.4908 0.529591 10.4633 TIMING: 904200 CPU: 2845.94, 0.00314797/step Wall: 2845.94, 0.00314797/step, 3.58152 hours remaining, 236.914062 MB of memory in use. ENERGY: 904200 3984.2333 20469.0096 14428.5413 262.8561 -203689.0985 2601.3833 0.0000 0.0000 51909.1191 -110033.9557 298.3224 -161943.0748 -109675.3578 298.6625 -73.4132 -48.8606 758703.9417 6.3808 6.6355 LDB: ============= START OF LOAD BALANCING ============== 2858.34 LDB: ============== END OF LOAD BALANCING =============== 2858.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2858.34 LDB: ============= START OF LOAD BALANCING ============== 2858.66 LDB: Largest compute 7068 load 0.033847 is 17.3% of average load 0.195793 LDB: Average compute 0.004391 is 2.2% of average load 0.195793 LDB: TIME 2858.66 LOAD: AVG 0.195793 MAX 0.216921 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.496 MB LDB: TIME 2858.66 LOAD: AVG 0.195793 MAX 0.216921 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.699 MB LDB: TIME 2858.66 LOAD: AVG 0.195793 MAX 0.216921 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.699 MB LDB: ============== END OF LOAD BALANCING =============== 2858.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2858.67 PRESSURE: 904400 -234.456 -25.5624 -285.156 -25.5621 -39.0473 48.5974 -285.156 48.5976 -116.709 GPRESSURE: 904400 -177.937 -73.165 -178.034 -62.7342 -59.1658 32.305 -238.949 48.3948 -73.4725 PRESSAVG: 904400 25.1341 -100.9 3.37103 -100.9 -37.6836 -9.63203 3.37105 -9.63202 4.86008 GPRESSAVG: 904400 24.9972 -102.9 3.33001 -102.052 -38.3818 -10.0452 3.08581 -7.67137 5.46707 TIMING: 904400 CPU: 2846.59, 0.00322415/step Wall: 2846.59, 0.00322415/step, 3.66801 hours remaining, 236.238281 MB of memory in use. ENERGY: 904400 3954.9419 20516.3012 14499.7812 257.1249 -203640.5897 2519.5001 0.0000 0.0000 52005.9847 -109886.9557 298.8791 -161892.9403 -109523.5553 298.9604 -130.0707 -103.5249 759381.3426 -2.5632 -2.6392 PRESSURE: 904600 -40.5088 -155.337 -318.291 -155.337 192.412 24.7992 -318.29 24.7993 390.5 GPRESSURE: 904600 15.7195 -213.859 -289.521 -151.107 251.092 -28.105 -262.033 92.144 357.163 PRESSAVG: 904600 4.50689 -71.2192 -15.5134 -71.2193 -4.1684 3.90471 -15.5134 3.90464 5.89424 GPRESSAVG: 904600 5.23046 -68.6398 -17.0413 -73.5435 -4.70254 5.37286 -12.3333 4.05833 5.24136 TIMING: 904600 CPU: 2847.22, 0.00316012/step Wall: 2847.22, 0.00316012/step, 3.59498 hours remaining, 236.539062 MB of memory in use. ENERGY: 904600 4025.0446 20354.9774 14449.1120 246.8227 -203490.3491 2572.7137 0.0000 0.0000 51897.6191 -109944.0597 298.2563 -161841.6788 -109576.8824 298.0275 180.8010 207.9917 759760.8173 2.0776 1.9231 PRESSURE: 904800 -171.673 -20.471 93.7338 -20.4709 -66.2489 74.3612 93.7336 74.3611 163.415 GPRESSURE: 904800 -97.9192 -1.22221 143.762 -164.39 -58.9245 63.3213 -28.6775 152.514 162.588 PRESSAVG: 904800 43.0517 -47.1756 22.7878 -47.1755 -26.0985 -41.966 22.7878 -41.9661 -12.0011 GPRESSAVG: 904800 43.8455 -49.8765 23.0683 -46.5994 -26.9535 -42.3064 19.7886 -43.2538 -11.7933 TIMING: 904800 CPU: 2847.85, 0.00316294/step Wall: 2847.85, 0.00316294/step, 3.59802 hours remaining, 236.574219 MB of memory in use. ENERGY: 904800 4013.0735 20599.2104 14435.5195 253.7501 -203634.3214 2501.0267 0.0000 0.0000 51809.7124 -110022.0289 297.7511 -161831.7413 -109666.5328 298.3631 -24.8357 1.9148 760402.5549 1.6507 1.6996 PRESSURE: 905000 302.264 -304.851 -64.0033 -304.852 -111.391 203.872 -64.0033 203.873 -60.0813 GPRESSURE: 905000 258.672 -216.18 -3.67997 -279.281 -11.4443 141.847 -79.8541 131.208 -31.3646 PRESSAVG: 905000 35.2139 -85.2628 26.3249 -85.2628 -71.968 -34.8131 26.3249 -34.813 9.93504 GPRESSAVG: 905000 34.3427 -82.4257 27.1354 -85.4379 -70.8055 -36.1029 25.8982 -34.7235 9.81444 TIMING: 905000 CPU: 2848.48, 0.00315843/step Wall: 2848.48, 0.00315843/step, 3.59271 hours remaining, 236.574219 MB of memory in use. ENERGY: 905000 3944.5710 20461.4134 14360.6322 236.4994 -203940.3216 2855.4766 0.0000 0.0000 52108.4295 -109973.2996 299.4679 -162081.7290 -109605.4529 298.5211 43.5972 71.9542 759823.1281 -8.9397 -8.8828 PRESSURE: 905200 46.4396 -195.94 64.8515 -195.94 -1.00477 -58.2318 64.8513 -58.2312 91.2631 GPRESSURE: 905200 54.4665 -56.1015 16.9405 -181.239 13.683 -54.2673 -35.5371 -74.2103 149.776 PRESSAVG: 905200 9.56477 -16.3488 -3.02867 -16.3489 -5.39667 -27.2932 -3.02872 -27.2932 -12.2472 GPRESSAVG: 905200 8.96941 -16.2868 -3.91567 -14.147 -5.15811 -27.4798 -1.9658 -26.9088 -11.7937 TIMING: 905200 CPU: 2849.11, 0.00314355/step Wall: 2849.11, 0.00314355/step, 3.57561 hours remaining, 236.574219 MB of memory in use. ENERGY: 905200 3981.1219 20479.3009 14459.9266 248.9948 -203574.4054 2443.6452 0.0000 0.0000 52037.8252 -109923.5910 299.0621 -161961.4161 -109554.1390 298.9808 45.5660 72.6418 760061.1781 -2.6930 -2.6608 PRESSURE: 905400 -166.216 -126.896 -180.232 -126.896 -234.026 24.1449 -180.233 24.147 89.1386 GPRESSURE: 905400 -26.4813 -139.525 -232.838 -94.5062 -374.778 -59.6809 -96.0634 108.279 176.682 PRESSAVG: 905400 38.2531 -53.2284 8.05152 -53.2285 -18.0111 10.5218 8.05151 10.5217 -6.16872 GPRESSAVG: 905400 38.103 -54.2426 9.35481 -54.1204 -18.9433 11.6132 7.59407 9.70038 -5.55771 TIMING: 905400 CPU: 2849.74, 0.00314978/step Wall: 2849.74, 0.00314978/step, 3.58252 hours remaining, 236.574219 MB of memory in use. ENERGY: 905400 3998.9493 20624.7592 14351.9992 239.0426 -203098.1796 2011.9538 0.0000 0.0000 51968.0109 -109903.4646 298.6609 -161871.4755 -109552.9046 299.0986 -103.7010 -74.8590 758912.1098 4.6911 4.5340 PRESSURE: 905600 -194.585 277.495 102.605 277.495 -69.636 48.0874 102.605 48.0873 142.741 GPRESSURE: 905600 -103.5 141.691 131.201 165.302 -44.94 50.013 61.9558 148.185 149.051 PRESSAVG: 905600 -5.92558 -57.7346 36.9765 -57.7346 1.97497 -29.7622 36.9765 -29.7622 7.59629 GPRESSAVG: 905600 -4.73923 -59.1371 35.5188 -56.4468 2.21859 -31.0562 37.9787 -29.2739 6.80082 TIMING: 905600 CPU: 2850.37, 0.00316075/step Wall: 2850.37, 0.00316075/step, 3.59483 hours remaining, 236.574219 MB of memory in use. ENERGY: 905600 3929.8693 20344.1951 14458.4292 261.9796 -203257.5474 2276.0071 0.0000 0.0000 52046.5435 -109940.5235 299.1122 -161987.0670 -109584.8431 298.9164 -40.4932 0.2037 759724.2805 1.2152 1.4267 PRESSURE: 905800 547.401 -5.08998 175.117 -5.08868 378.669 157.124 175.118 157.124 91.4157 GPRESSURE: 905800 589.408 -21.2388 122.735 33.4796 305.855 97.6012 73.9039 189.286 186.576 PRESSAVG: 905800 -7.66726 -39.2225 1.18002 -39.2225 32.149 15.7721 1.18003 15.7721 13.9073 GPRESSAVG: 905800 -8.9644 -36.2186 1.8488 -40.4299 32.9003 16.6561 0.161232 15.6901 14.0534 TIMING: 905800 CPU: 2851, 0.00315291/step Wall: 2851, 0.00315291/step, 3.58574 hours remaining, 236.574219 MB of memory in use. ENERGY: 905800 3978.1232 20601.4051 14406.6003 262.0856 -203951.9334 2834.7729 0.0000 0.0000 51983.3435 -109885.6029 298.7490 -161868.9463 -109535.9560 299.0267 339.1620 360.6130 759479.6974 12.7964 12.6631 PRESSURE: 906000 97.9149 144.535 28.2922 144.536 207.554 -57.0279 28.2932 -57.0293 540.467 GPRESSURE: 906000 178.972 147.221 15.8391 96.965 190.969 -33.8285 -4.34649 45.7639 556.236 PRESSAVG: 906000 37.2816 -13.6787 42.9322 -13.6787 -6.79817 -5.24485 42.9321 -5.24483 -0.644042 GPRESSAVG: 906000 37.3578 -16.079 42.4725 -14.2865 -6.84553 -4.95855 42.6872 -4.5037 -0.746845 TIMING: 906000 CPU: 2851.64, 0.00316712/step Wall: 2851.64, 0.00316712/step, 3.60172 hours remaining, 236.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 906000 3956.3111 20492.3240 14452.0035 228.6497 -203670.8224 2590.9582 0.0000 0.0000 52144.0522 -109806.5238 299.6726 -161950.5760 -109450.8259 298.8503 281.9786 308.7257 759550.7854 9.9465 9.9218 PRESSURE: 906200 -178.705 -213.41 122.004 -213.411 -66.2546 -140.791 122.004 -140.791 213.08 GPRESSURE: 906200 -103.784 -90.6043 130.804 -252.906 -42.5061 -155.043 201.341 -59.341 199.67 PRESSAVG: 906200 -20.6891 -0.883226 -4.89286 -0.88321 8.37287 -0.864155 -4.89283 -0.864135 -7.51009 GPRESSAVG: 906200 -19.5882 0.598825 -4.53161 -0.368881 7.69237 -2.01798 -2.54908 -1.96641 -7.89383 TIMING: 906200 CPU: 2852.27, 0.00316365/step Wall: 2852.27, 0.00316365/step, 3.5976 hours remaining, 236.574219 MB of memory in use. ENERGY: 906200 4019.2185 20386.2477 14479.2375 247.9053 -202841.1220 2095.0000 0.0000 0.0000 51743.6922 -109869.8207 297.3717 -161613.5129 -109513.0916 298.5324 -10.6263 17.7935 760845.9654 -6.6088 -6.5966 PRESSURE: 906400 410.632 -36.3816 25.748 -36.3818 -112.875 238.963 25.747 238.965 -232.149 GPRESSURE: 906400 379.572 -19.8418 101.798 -60.6796 -98.3635 224.588 8.73824 176.57 -131.297 PRESSAVG: 906400 11.9167 -20.9112 29.7289 -20.9112 -13.2744 -6.12622 29.7289 -6.1262 -0.573754 GPRESSAVG: 906400 11.569 -20.456 30.3064 -20.3015 -12.9726 -5.95887 28.4269 -6.19813 -0.541725 TIMING: 906400 CPU: 2852.9, 0.00315242/step Wall: 2852.9, 0.00315242/step, 3.58465 hours remaining, 236.574219 MB of memory in use. ENERGY: 906400 3960.4338 20437.4481 14381.1267 247.0286 -203402.5955 2374.2182 0.0000 0.0000 52154.8004 -109847.5396 299.7344 -162002.3401 -109487.6861 298.8081 21.8694 49.9704 759764.1300 -0.6438 -0.6484 PRESSURE: 906600 68.315 -34.386 -38.7851 -34.3855 16.5698 -77.2833 -38.7854 -77.2845 282.223 GPRESSURE: 906600 176.015 15.949 -39.0072 52.8125 84.3672 -93.2005 28.7088 -170.995 194.685 PRESSAVG: 906600 10.6486 -46.5498 24.1587 -46.5498 -34.6882 12.2176 24.1587 12.2177 -6.49505 GPRESSAVG: 906600 9.67412 -47.387 25.2465 -45.9694 -33.2741 14.1122 21.7349 11.5777 -7.04099 TIMING: 906600 CPU: 2853.53, 0.00315932/step Wall: 2853.53, 0.00315932/step, 3.59233 hours remaining, 236.574219 MB of memory in use. ENERGY: 906600 4018.7333 20427.2202 14394.6282 245.4721 -203530.0740 2691.9043 0.0000 0.0000 52008.2780 -109743.8378 298.8923 -161752.1159 -109376.3012 298.3176 122.3691 151.6891 759961.1001 -10.1782 -10.2136 PRESSURE: 906800 -74.943 -86.1336 -39.0322 -86.1342 -120.023 -156.384 -39.0322 -156.384 -251.59 GPRESSURE: 906800 -15.7487 -60.6684 -31.1726 -41.2334 -135.075 -97.1066 -220.612 -202.455 -205.211 PRESSAVG: 906800 77.8447 -34.7393 -44.558 -34.7393 24.4665 -39.3361 -44.558 -39.3361 -7.10019 GPRESSAVG: 906800 77.4607 -34.5227 -44.8525 -34.7655 23.056 -41.2668 -43.8576 -37.8434 -5.05661 TIMING: 906800 CPU: 2854.16, 0.00315771/step Wall: 2854.16, 0.00315771/step, 3.59032 hours remaining, 236.574219 MB of memory in use. ENERGY: 906800 4024.2409 20454.8279 14422.6867 241.8151 -203189.1217 2299.8425 0.0000 0.0000 52013.8811 -109731.8275 298.9245 -161745.7086 -109373.8302 298.9260 -148.8523 -118.6785 760249.3096 31.7370 31.8200 PRESSURE: 907000 -346.687 -11.3509 24.1698 -11.3499 315.092 21.3794 24.1707 21.3793 -302.116 GPRESSURE: 907000 -277.472 -59.78 38.8072 -121.068 259.98 30.5929 -151.831 76.3025 -228.963 PRESSAVG: 907000 -34.1355 -17.6107 2.6811 -17.6107 8.00538 20.1171 2.6811 20.1171 1.12715 GPRESSAVG: 907000 -32.2693 -17.6517 2.72642 -16.5313 6.99832 21.1213 2.5823 17.3444 0.409553 TIMING: 907000 CPU: 2854.79, 0.003148/step Wall: 2854.79, 0.003148/step, 3.5791 hours remaining, 236.574219 MB of memory in use. ENERGY: 907000 3967.1278 20472.9406 14458.6147 240.8741 -203397.7172 2522.6897 0.0000 0.0000 52167.0128 -109568.4575 299.8045 -161735.4702 -109208.0631 299.7478 -111.2368 -82.1516 761817.2730 -8.3343 -8.2872 PRESSURE: 907200 -144.212 -304.767 25.8529 -304.766 -146.516 68.9446 25.8532 68.9444 -577.795 GPRESSURE: 907200 -148.36 -166.621 -39.1686 -216.109 -71.0418 63.2658 53.9075 164.602 -578.14 PRESSAVG: 907200 18.147 -23.5493 43.9242 -23.5494 -12.797 -1.61226 43.9243 -1.61224 -18.5736 GPRESSAVG: 907200 18.8762 -21.5796 42.2234 -25.5512 -11.9688 -1.5985 43.3717 0.581425 -19.9986 TIMING: 907200 CPU: 2855.43, 0.00316252/step Wall: 2855.43, 0.00316252/step, 3.59543 hours remaining, 236.574219 MB of memory in use. ENERGY: 907200 3964.6016 20421.0709 14457.1526 238.6940 -203410.7561 2342.9180 0.0000 0.0000 52059.0380 -109927.2809 299.1840 -161986.3189 -109563.4767 299.1417 -289.5075 -265.8473 760593.7564 -4.4079 -4.3637 PRESSURE: 907400 216.342 -169.808 130.296 -169.808 3.717 -224.579 130.296 -224.579 284.068 GPRESSURE: 907400 215.826 -75.4592 192.414 -172.156 122.21 -184.971 201.808 -225.616 246.051 PRESSAVG: 907400 10.8881 -23.9179 4.92837 -23.9179 -53.9186 -31.2213 4.92843 -31.2212 5.07873 GPRESSAVG: 907400 10.0725 -24.2248 6.56976 -22.7325 -53.4371 -31.4041 5.74708 -31.9108 5.384 TIMING: 907400 CPU: 2856.06, 0.00315031/step Wall: 2856.06, 0.00315031/step, 3.58138 hours remaining, 236.574219 MB of memory in use. ENERGY: 907400 3834.7845 20407.6142 14469.2743 253.2364 -203325.9947 2486.3211 0.0000 0.0000 52056.3389 -109818.4252 299.1685 -161874.7642 -109454.2231 298.4904 168.0422 194.6956 761336.3986 -12.6506 -12.6602 PRESSURE: 907600 -217.639 -88.6539 -45.8751 -88.6538 -44.174 135.188 -45.8747 135.188 116.794 GPRESSURE: 907600 -123.044 -157.313 -57.7225 -38.4441 -54.6195 88.5146 -6.63342 208.135 155.974 PRESSAVG: 907600 56.4975 -20.1843 -25.3267 -20.1842 -51.0663 3.91551 -25.3267 3.9155 8.69482 GPRESSAVG: 907600 56.6964 -21.2132 -26.3582 -20.8018 -51.7724 1.93029 -25.2601 5.58013 9.02736 TIMING: 907600 CPU: 2856.68, 0.00314528/step Wall: 2856.68, 0.00314528/step, 3.57548 hours remaining, 236.574219 MB of memory in use. ENERGY: 907600 3951.8417 20414.0420 14460.2994 241.8949 -203439.2063 2496.3904 0.0000 0.0000 52114.1649 -109760.5730 299.5008 -161874.7379 -109385.1073 298.4590 -48.3399 -7.2301 761505.5090 4.7087 4.6504 PRESSURE: 907800 357.335 151.747 57.0964 151.746 -155.379 -22.9363 57.0963 -22.9364 99.9055 GPRESSURE: 907800 332.296 142.142 63.3809 104.921 -76.3488 84.6962 43.2907 -186.105 146.326 PRESSAVG: 907800 7.65327 9.9452 -49.5377 9.94522 2.52778 1.49044 -49.5377 1.49043 19.4513 GPRESSAVG: 907800 7.52689 9.74664 -50.5273 9.93045 2.43589 3.93822 -49.6309 -0.798096 19.7034 TIMING: 907800 CPU: 2857.32, 0.00315747/step Wall: 2857.32, 0.00315747/step, 3.58917 hours remaining, 236.574219 MB of memory in use. ENERGY: 907800 3884.3812 20461.6252 14413.4454 227.0562 -203145.1062 2261.7886 0.0000 0.0000 52060.6996 -109836.1101 299.1936 -161896.8097 -109475.8386 298.7191 100.6205 134.0912 759470.2557 9.8774 9.8887 PRESSURE: 908000 166.551 26.6794 124.196 26.6789 93.8735 -24.9651 124.196 -24.965 337.206 GPRESSURE: 908000 160.84 -6.90719 32.7332 163.597 120.719 54.912 168.914 -90.6339 397.586 PRESSAVG: 908000 38.5816 19.874 -0.257789 19.874 -24.4058 -1.6204 -0.257779 -1.62046 17.8765 GPRESSAVG: 908000 39.2618 19.7904 1.50386 20.874 -25.3901 -1.7416 -1.64085 -0.0586024 17.8788 TIMING: 908000 CPU: 2857.95, 0.00317417/step Wall: 2857.95, 0.00317417/step, 3.60797 hours remaining, 236.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 908000 3928.6757 20544.7099 14444.2732 250.2861 -203682.3265 2666.5758 0.0000 0.0000 51927.3121 -109920.4937 298.4270 -161847.8058 -109554.1856 298.7528 199.2100 226.3816 761307.4187 10.6841 10.5835 PRESSURE: 908200 70.3641 -144.984 -69.5052 -144.984 94.5095 -55.0418 -69.5042 -55.0418 -214.792 GPRESSURE: 908200 123.608 -197.198 -73.0281 -59.3597 100.392 -2.61556 -118.825 -60.1625 -182.083 PRESSAVG: 908200 -14.9808 -23.5562 10.0199 -23.5562 -12.0205 3.03283 10.0199 3.03285 -10.8974 GPRESSAVG: 908200 -15.8626 -24.1478 8.60513 -23.1244 -11.4476 3.33494 12.4778 2.37991 -10.3461 TIMING: 908200 CPU: 2858.58, 0.00317011/step Wall: 2858.58, 0.00317011/step, 3.60319 hours remaining, 236.574219 MB of memory in use. ENERGY: 908200 3968.7346 20341.2639 14493.5515 244.8010 -203416.9144 2658.7269 0.0000 0.0000 51932.3562 -109777.4802 298.4560 -161709.8364 -109410.6166 298.4680 -16.6394 13.9723 760732.1565 -12.6329 -12.5521 LDB: ============= START OF LOAD BALANCING ============== 2870.98 LDB: ============== END OF LOAD BALANCING =============== 2870.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2870.98 LDB: ============= START OF LOAD BALANCING ============== 2871.3 LDB: Largest compute 7078 load 0.034402 is 17.6% of average load 0.195843 LDB: Average compute 0.004365 is 2.2% of average load 0.195843 LDB: TIME 2871.3 LOAD: AVG 0.195843 MAX 0.213093 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.617 MB LDB: TIME 2871.3 LOAD: AVG 0.195843 MAX 0.213093 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: TIME 2871.3 LOAD: AVG 0.195843 MAX 0.213093 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: ============== END OF LOAD BALANCING =============== 2871.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2871.31 PRESSURE: 908400 349.404 -114.825 -188.895 -114.827 43.6925 -110.985 -188.895 -110.986 106.467 GPRESSURE: 908400 332.064 -95.2996 -85.4025 -89.7611 109.771 -72.4004 -224.881 -131.354 127.083 PRESSAVG: 908400 19.1448 -121.579 64.158 -121.579 -7.49698 10.2814 64.1581 10.2814 1.27281 GPRESSAVG: 908400 19.7239 -121.293 64.9095 -122.877 -8.05412 8.08592 63.6244 11.7473 0.851639 TIMING: 908400 CPU: 2859.23, 0.00321619/step Wall: 2859.23, 0.00321619/step, 3.65538 hours remaining, 236.382812 MB of memory in use. ENERGY: 908400 3928.2582 20520.8748 14516.1627 236.2756 -203860.4825 2844.0725 0.0000 0.0000 52074.4888 -109740.3499 299.2728 -161814.8387 -109374.7885 299.0223 166.5213 189.6393 759836.1164 4.3069 4.1738 PRESSURE: 908600 128.867 -185.302 -22.2233 -185.303 -8.29575 55.7389 -22.2223 55.7384 76.4699 GPRESSURE: 908600 152.238 -97.198 108.136 -106.989 23.9403 -55.9069 -27.6518 80.0693 105.878 PRESSAVG: 908600 20.622 -51.3483 -36.9935 -51.3483 -29.6007 8.69568 -36.9935 8.69566 7.41266 GPRESSAVG: 908600 20.9989 -51.3128 -36.051 -51.5534 -29.8203 9.67822 -38.1653 7.34178 7.11669 TIMING: 908600 CPU: 2859.86, 0.00316091/step Wall: 2859.86, 0.00316091/step, 3.59237 hours remaining, 236.382812 MB of memory in use. ENERGY: 908600 3975.1552 20526.4379 14446.2652 253.4800 -203548.4201 2540.9168 0.0000 0.0000 52088.2881 -109717.8769 299.3521 -161806.1650 -109353.0388 299.2566 65.6805 94.0188 760384.7640 -0.5220 -0.5682 PRESSURE: 908800 -37.9497 -186.035 -183.582 -186.034 -176.358 95.7886 -183.582 95.79 -238.223 GPRESSURE: 908800 -41.4097 -229.863 -189.225 -129.341 -147.914 146.963 -144.26 16.3438 -191.434 PRESSAVG: 908800 62.6774 -43.3457 -17.0692 -43.3457 -47.8335 -30.3159 -17.0692 -30.3158 -18.1083 GPRESSAVG: 908800 61.4465 -42.1728 -17.7795 -42.7017 -47.3422 -31.3908 -13.5151 -29.9708 -17.6927 TIMING: 908800 CPU: 2860.49, 0.00316286/step Wall: 2860.49, 0.00316286/step, 3.59442 hours remaining, 236.382812 MB of memory in use. ENERGY: 908800 4037.4507 20532.1708 14427.6757 237.8385 -203333.0798 2350.3388 0.0000 0.0000 51982.3757 -109765.2296 298.7434 -161747.6053 -109406.0880 299.1886 -150.8436 -126.9191 761010.1633 -1.0881 -1.1962 PRESSURE: 909000 -225.366 -17.0175 -12.0825 -17.0175 -183.619 20.7324 -12.083 20.733 -11.3143 GPRESSURE: 909000 -252.964 20.3282 57.8633 -144.428 -61.3365 10.7162 -189.362 20.3248 -20.2921 PRESSAVG: 909000 -0.279817 -50.1848 22.0485 -50.1848 -50.1121 10.2468 22.0485 10.2468 13.6253 GPRESSAVG: 909000 0.122667 -50.6768 21.7484 -50.4826 -49.7252 11.7782 18.8354 9.77356 12.7262 TIMING: 909000 CPU: 2861.12, 0.00315108/step Wall: 2861.12, 0.00315108/step, 3.58085 hours remaining, 236.382812 MB of memory in use. ENERGY: 909000 4009.3077 20534.9681 14503.5372 244.5485 -203426.3394 2449.9706 0.0000 0.0000 51818.6728 -109865.3345 297.8026 -161684.0073 -109511.2842 298.4541 -140.0999 -111.5310 761209.2687 -12.2555 -12.2921 PRESSURE: 909200 27.072 -77.4127 194.561 -77.4131 -31.3032 -20.0105 194.561 -20.0095 -324.516 GPRESSURE: 909200 94.9312 -57.1336 187.219 -105.321 -76.5304 -6.04743 92.8651 -3.34558 -235.225 PRESSAVG: 909200 -57.5022 -95.5649 37.3697 -95.565 24.4274 -13.5827 37.3697 -13.5828 -29.0811 GPRESSAVG: 909200 -56.4016 -95.7285 38.46 -96.0595 23.4964 -13.5585 36.3429 -14.3987 -29.2263 TIMING: 909200 CPU: 2861.75, 0.00315857/step Wall: 2861.75, 0.00315857/step, 3.58919 hours remaining, 236.382812 MB of memory in use. ENERGY: 909200 3980.2208 20348.5887 14467.2309 220.5691 -203815.9555 2671.3573 0.0000 0.0000 52249.2801 -109878.7086 300.2773 -162127.9887 -109508.1860 298.5474 -109.5825 -72.2748 760354.4000 -20.7186 -20.7105 PRESSURE: 909400 368.94 -99.6377 -115.008 -99.6371 188.78 9.7552 -115.007 9.7547 -1.25193 GPRESSURE: 909400 346.375 -165.887 -102.73 -34.7661 290.373 -36.5679 -194.95 249.358 19.6054 PRESSAVG: 909400 -43.6386 31.2694 11.2718 31.2695 88.3677 28.3607 11.2718 28.3606 -2.9186 GPRESSAVG: 909400 -45.4368 31.6843 9.96784 32.1247 88.8987 27.8707 13.9259 30.5679 -1.66726 TIMING: 909400 CPU: 2862.39, 0.00315765/step Wall: 2862.39, 0.00315765/step, 3.58796 hours remaining, 236.382812 MB of memory in use. ENERGY: 909400 3961.7359 20396.3709 14520.0051 248.5383 -203688.2069 2512.9167 0.0000 0.0000 51986.8746 -110061.7653 298.7693 -162048.6399 -109691.9067 298.9111 185.4893 218.7844 757812.7159 13.9368 13.9315 PRESSURE: 909600 49.2792 162.862 -164.275 162.863 93.0239 -202.987 -164.274 -202.987 -178.106 GPRESSURE: 909600 146.665 160.205 -201.586 104.085 105.441 -175.933 50.1525 -306.181 -199.547 PRESSAVG: 909600 -18.1092 -69.2606 -26.5517 -69.2606 70.8866 14.9387 -26.5517 14.9387 21.8716 GPRESSAVG: 909600 -16.7051 -69.2017 -26.4924 -67.9829 71.2845 14.5051 -26.7782 13.5654 20.1061 TIMING: 909600 CPU: 2863.02, 0.00315225/step Wall: 2863.02, 0.00315225/step, 3.58165 hours remaining, 236.382812 MB of memory in use. ENERGY: 909600 4021.9284 20332.9483 14485.9532 248.1514 -203916.9026 2708.6745 0.0000 0.0000 52133.1314 -109986.1153 299.6098 -162119.2467 -109628.0637 298.7769 -11.9342 17.5197 759279.0356 24.8830 24.8952 PRESSURE: 909800 172.076 52.4171 -231.622 52.4171 18.5762 142.187 -231.621 142.186 -216.629 GPRESSURE: 909800 226.066 -11.7129 -173.816 136.299 17.6125 162.582 -205.484 134.818 -185.679 PRESSAVG: 909800 -10.1936 -15.4291 10.1974 -15.4291 2.31148 7.21979 10.1973 7.21977 6.81028 GPRESSAVG: 909800 -9.73016 -17.6133 10.7436 -16.7788 1.5695 6.81532 11.1155 6.85497 7.42649 TIMING: 909800 CPU: 2863.65, 0.00315908/step Wall: 2863.65, 0.00315908/step, 3.58924 hours remaining, 236.382812 MB of memory in use. ENERGY: 909800 3997.4609 20478.3604 14385.1160 262.4429 -203884.0100 2850.3708 0.0000 0.0000 52063.3680 -109846.8910 299.2089 -161910.2590 -109472.2938 298.7534 -8.6590 19.3334 759349.7452 -0.3573 -0.2447 PRESSURE: 910000 151.718 -119.213 176.006 -119.212 162.353 117.279 176.006 117.279 -247.732 GPRESSURE: 910000 210.446 -165.24 163.578 88.0055 192.444 68.876 33.0849 75.9952 -239.137 PRESSAVG: 910000 -19.9502 -29.0254 10.6482 -29.0255 0.135654 1.35486 10.6481 1.35486 -7.18311 GPRESSAVG: 910000 -19.8853 -26.6667 12.3843 -29.6631 1.40159 1.32639 8.26318 1.82544 -8.31233 TIMING: 910000 CPU: 2864.28, 0.00315528/step Wall: 2864.28, 0.00315528/step, 3.58475 hours remaining, 236.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 910000 3979.8350 20522.5874 14423.4156 245.2228 -203437.8651 2426.0212 0.0000 0.0000 52212.3189 -109628.4643 300.0649 -161840.7832 -109270.0637 299.1070 22.1129 54.5842 759444.5432 -8.9992 -8.9320 PRESSURE: 910200 187.697 -24.7301 -105.515 -24.7302 -86.1483 -257.869 -105.514 -257.87 144.585 GPRESSURE: 910200 174.474 -120.084 -162.712 -55.9922 -10.141 -264.947 -104.334 -206.842 147.707 PRESSAVG: 910200 -10.4864 -39.491 -44.4316 -39.491 15.2533 -28.3111 -44.4317 -28.311 -7.59325 GPRESSAVG: 910200 -12.297 -42.375 -44.4771 -37.7475 15.6892 -28.3277 -46.1049 -28.0046 -6.81546 TIMING: 910200 CPU: 2864.91, 0.00314723/step Wall: 2864.91, 0.00314723/step, 3.57543 hours remaining, 236.382812 MB of memory in use. ENERGY: 910200 3987.6419 20378.0985 14349.2967 252.9001 -203500.5035 2560.9811 0.0000 0.0000 52265.9205 -109705.6646 300.3730 -161971.5851 -109341.2321 299.5122 82.0447 104.0133 758826.7988 -0.9421 -1.1411 PRESSURE: 910400 -207.845 62.8548 -12.5261 62.8551 53.2075 178.443 -12.5261 178.443 -173.551 GPRESSURE: 910400 -86.3947 -16.6808 -44.2606 152.525 92.7334 114.362 17.2543 170.457 -244.08 PRESSAVG: 910400 -36.5164 -46.6535 -42.5733 -46.6535 22.0186 -80.7927 -42.5733 -80.7926 15.8545 GPRESSAVG: 910400 -37.861 -45.6805 -42.5195 -47.8623 22.3129 -80.6586 -41.0731 -80.4317 16.4885 TIMING: 910400 CPU: 2865.54, 0.0031596/step Wall: 2865.54, 0.0031596/step, 3.5893 hours remaining, 236.382812 MB of memory in use. ENERGY: 910400 3986.4290 20359.4186 14431.9857 248.9745 -203260.6851 2435.3717 0.0000 0.0000 52073.4920 -109725.0136 299.2671 -161798.5057 -109371.9129 298.8128 -109.3962 -79.2471 760235.5508 0.4522 0.3135 PRESSURE: 910600 -10.7628 -104.777 158.056 -104.776 16.3584 20.9164 158.056 20.9157 -207.221 GPRESSURE: 910600 -77.7337 -86.2017 185.385 -114.804 114.745 69.1671 54.529 -109.615 -158.522 PRESSAVG: 910600 -52.8534 -42.085 5.01089 -42.085 37.9024 29.9347 5.01092 29.9347 -16.5348 GPRESSAVG: 910600 -51.824 -41.0765 4.33349 -42.8919 35.7523 31.9908 6.47916 29.4777 -15.6435 TIMING: 910600 CPU: 2866.17, 0.00314837/step Wall: 2866.17, 0.00314837/step, 3.57638 hours remaining, 236.382812 MB of memory in use. ENERGY: 910600 3952.3711 20468.1864 14390.7587 243.7711 -203558.0243 2570.1705 0.0000 0.0000 52156.1634 -109776.6031 299.7422 -161932.7664 -109404.8546 299.2102 -67.2083 -40.5034 760778.9710 -10.4953 -10.5717 PRESSURE: 910800 15.2903 16.0568 -141.596 16.0568 66.575 83.0142 -141.596 83.0144 124.875 GPRESSURE: 910800 -22.2156 103.816 -84.9631 18.1952 193.917 163.505 -136.387 51.4728 115.791 PRESSAVG: 910800 2.19336 -1.551 -76.0377 -1.55104 51.7216 -12.6431 -76.0377 -12.643 19.2611 GPRESSAVG: 910800 2.7798 -2.50068 -76.2873 0.47308 52.1168 -14.6267 -75.3048 -10.5127 18.3819 TIMING: 910800 CPU: 2866.8, 0.00316427/step Wall: 2866.8, 0.00316427/step, 3.59426 hours remaining, 236.382812 MB of memory in use. ENERGY: 910800 3947.7312 20671.0023 14415.2751 245.1176 -203529.2900 2559.8424 0.0000 0.0000 51900.7352 -109789.5862 298.2742 -161690.3214 -109433.6686 299.0463 68.9136 95.8307 759598.4417 24.3920 24.4262 PRESSURE: 911000 -341.301 71.2847 118.994 71.2858 -194.172 105.168 118.994 105.168 -66.8968 GPRESSURE: 911000 -296.398 28.6619 110.705 66.4912 -121.08 57.1651 147.451 171.525 -94.1789 PRESSAVG: 911000 -13.1341 -48.2589 12.7225 -48.2588 37.4262 43.94 12.7225 43.9399 -5.23047 GPRESSAVG: 911000 -13.6444 -47.7267 12.9682 -48.7495 38.1801 44.8998 11.231 41.7545 -5.21384 TIMING: 911000 CPU: 2867.43, 0.00314711/step Wall: 2867.43, 0.00314712/step, 3.5746 hours remaining, 236.382812 MB of memory in use. ENERGY: 911000 3964.9141 20478.3495 14388.6806 243.4796 -203421.1828 2568.3632 0.0000 0.0000 52025.5621 -109751.8336 298.9916 -161777.3957 -109400.9856 299.5319 -200.7899 -170.5520 760711.3137 6.3539 6.4406 PRESSURE: 911200 2.92186 -178.975 226.103 -178.974 255.718 -206.862 226.103 -206.862 148.016 GPRESSURE: 911200 -26.256 -139.777 232.449 -197.25 294.507 -142.124 185.318 -260.818 205.238 PRESSAVG: 911200 -23.7338 -59.598 46.5692 -59.5981 2.20015 -47.901 46.5692 -47.9009 -12.4546 GPRESSAVG: 911200 -23.618 -59.5537 44.9092 -60.2181 2.11372 -48.1488 46.3459 -47.6068 -12.4597 TIMING: 911200 CPU: 2868.06, 0.00314971/step Wall: 2868.06, 0.00314971/step, 3.57737 hours remaining, 236.382812 MB of memory in use. ENERGY: 911200 3920.1660 20518.2191 14404.1253 239.9467 -203436.4791 2629.4524 0.0000 0.0000 52162.8778 -109561.6917 299.7808 -161724.5695 -109205.4251 299.1458 135.5519 157.8298 760891.6500 -11.3294 -11.3213 PRESSURE: 911400 -137.785 -367.175 -40.862 -367.175 4.9372 265.846 -40.8611 265.847 101.764 GPRESSURE: 911400 -137.42 -348.343 -57.5019 -273.465 -2.65901 201.968 -88.3111 282.936 185.28 PRESSAVG: 911400 -8.17311 -60.4726 17.719 -60.4726 -16.7654 -12.1747 17.719 -12.1746 29.9167 GPRESSAVG: 911400 -7.71371 -59.6283 19.578 -59.9489 -16.0285 -12.2863 15.0855 -11.2494 29.4371 TIMING: 911400 CPU: 2868.69, 0.00313881/step Wall: 2868.69, 0.00313881/step, 3.56481 hours remaining, 236.382812 MB of memory in use. ENERGY: 911400 4046.7023 20368.2426 14408.5847 249.4560 -203353.6094 2455.7647 0.0000 0.0000 52119.1154 -109705.7437 299.5293 -161824.8591 -109334.4814 299.5061 -10.3613 15.0670 760572.6265 1.6594 1.8983 PRESSURE: 911600 -141.359 91.4489 -16.2852 91.4486 27.8451 -178.898 -16.285 -178.898 153.865 GPRESSURE: 911600 -89.0063 64.4904 -36.0527 100.155 4.78662 -73.6595 85.7793 -186.927 202.627 PRESSAVG: 911600 -43.6176 -44.3316 26.2421 -44.3316 -6.33062 -37.5132 26.2421 -37.5132 -13.7756 GPRESSAVG: 911600 -42.3401 -44.1045 26.9888 -44.6393 -7.90651 -37.677 28.1994 -38.3144 -13.2795 TIMING: 911600 CPU: 2869.32, 0.00313523/step Wall: 2869.32, 0.00313523/step, 3.56057 hours remaining, 236.382812 MB of memory in use. ENERGY: 911600 3911.3818 20425.9786 14379.4325 231.3967 -203065.9997 2310.8748 0.0000 0.0000 51938.3470 -109868.5883 298.4904 -161806.9353 -109489.0703 299.1259 13.4502 39.4690 761465.1805 -21.2413 -21.1754 PRESSURE: 911800 -168.544 -83.8062 -96.2084 -83.8061 -253.472 -192.337 -96.2084 -192.336 -294.48 GPRESSURE: 911800 -101.151 -50.7932 -50.5054 -12.6907 -245.454 -175.091 -83.165 -157.79 -304.718 PRESSAVG: 911800 -5.84183 -2.67851 -5.32434 -2.67852 32.6201 -30.6684 -5.32436 -30.6686 3.57524 GPRESSAVG: 911800 -8.13054 -4.97027 -6.2504 -0.111586 34.2927 -31.0408 -4.44172 -30.5353 3.56301 TIMING: 911800 CPU: 2869.95, 0.00314002/step Wall: 2869.95, 0.00314002/step, 3.56584 hours remaining, 236.382812 MB of memory in use. ENERGY: 911800 3953.8550 20382.9551 14373.2115 240.8664 -203081.8396 2112.7272 0.0000 0.0000 52272.7785 -109745.4460 300.4124 -162018.2245 -109376.2009 298.8923 -238.8322 -217.1076 761072.8767 10.1178 9.9084 PRESSURE: 912000 364.515 -213.826 357.846 -213.826 63.1858 131.549 357.846 131.55 243.291 GPRESSURE: 912000 399.641 -202.966 299.878 -221.986 70.9646 124.121 265.431 267.158 287.01 PRESSAVG: 912000 -22.7283 -23.667 -24.9066 -23.667 52.8595 42.3759 -24.9066 42.3759 -3.88648 GPRESSAVG: 912000 -22.0253 -21.0229 -24.5728 -26.8896 53.0172 42.8748 -25.8395 44.5256 -4.89099 TIMING: 912000 CPU: 2870.57, 0.00312411/step Wall: 2870.57, 0.00312411/step, 3.5476 hours remaining, 236.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 912000 3955.3637 20443.2529 14404.7016 247.4680 -203309.0816 2458.3774 0.0000 0.0000 52056.0171 -109743.9008 299.1666 -161799.9179 -109383.6156 298.6399 223.6640 252.5385 759555.7123 8.7482 8.7003 PRESSURE: 912200 99.0778 -137.132 -169.934 -137.132 400.599 103.833 -169.933 103.833 462.628 GPRESSURE: 912200 147.062 -236.242 -186.503 -94.4221 390.385 140.732 -69.2244 -28.6259 528.179 PRESSAVG: 912200 -42.0646 -56.4033 26.2457 -56.4033 29.7398 -21.4657 26.2456 -21.4657 -4.20119 GPRESSAVG: 912200 -42.3066 -57.7376 27.5905 -54.9543 28.4582 -19.9906 24.8253 -22.2225 -3.35573 TIMING: 912200 CPU: 2871.2, 0.00313607/step Wall: 2871.2, 0.00313607/step, 3.56101 hours remaining, 236.382812 MB of memory in use. ENERGY: 912200 3972.7528 20502.2842 14410.1834 235.0937 -203172.2394 2314.4072 0.0000 0.0000 52058.8678 -109678.6503 299.1830 -161737.5181 -109325.4785 299.0285 320.7682 355.2087 759290.0560 -5.5087 -5.7347 LDB: ============= START OF LOAD BALANCING ============== 2883.6 LDB: ============== END OF LOAD BALANCING =============== 2883.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2883.6 LDB: ============= START OF LOAD BALANCING ============== 2883.91 LDB: Largest compute 7078 load 0.036889 is 18.8% of average load 0.195844 LDB: Average compute 0.004367 is 2.2% of average load 0.195844 LDB: TIME 2883.91 LOAD: AVG 0.195844 MAX 0.213851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.383 MB LDB: TIME 2883.92 LOAD: AVG 0.195844 MAX 0.213851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.52 MB LDB: TIME 2883.92 LOAD: AVG 0.195844 MAX 0.213851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.52 MB LDB: ============== END OF LOAD BALANCING =============== 2883.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2883.92 PRESSURE: 912400 -107.961 77.8846 -187.958 77.8843 -347.889 -42.9361 -187.958 -42.9361 27.3086 GPRESSURE: 912400 -55.195 53.2983 -233.632 20.9974 -270.571 -136.822 -123.621 -96.1388 -49.2874 PRESSAVG: 912400 -11.7796 -36.1401 28.3409 -36.1402 13.1857 -44.2878 28.3409 -44.2877 15.4325 GPRESSAVG: 912400 -10.8015 -33.8847 26.1707 -36.3908 12.4287 -44.1839 29.6832 -46.7895 14.6196 TIMING: 912400 CPU: 2871.84, 0.00320829/step Wall: 2871.84, 0.00320828/step, 3.64283 hours remaining, 237.699219 MB of memory in use. ENERGY: 912400 3997.4773 20412.3730 14461.0527 251.5820 -203242.9071 2271.3788 0.0000 0.0000 52049.5651 -109799.4783 299.1296 -161849.0434 -109434.3568 299.0169 -142.8471 -125.0180 761364.6373 5.6129 5.4156 PRESSURE: 912600 141.52 95.6273 -28.1358 95.6271 -54.1237 222.272 -28.1352 222.272 -14.6347 GPRESSURE: 912600 74.6039 164.116 -12.4624 69.3263 -4.89377 234.444 -203.599 100.813 77.4547 PRESSAVG: 912600 -76.8985 -13.2003 -28.7669 -13.2004 39.3973 -0.924463 -28.7669 -0.924522 9.51987 GPRESSAVG: 912600 -76.7113 -14.3847 -27.4932 -14.2501 39.8352 -1.47368 -29.4822 1.05943 8.59917 TIMING: 912600 CPU: 2872.47, 0.00316594/step Wall: 2872.47, 0.00316594/step, 3.59457 hours remaining, 237.699219 MB of memory in use. ENERGY: 912600 4019.7323 20492.9952 14415.2874 235.0695 -203298.8528 2422.3586 0.0000 0.0000 51874.3044 -109839.1054 298.1223 -161713.4098 -109475.1852 298.6896 24.2540 49.0549 759642.0576 -9.3271 -9.4256 PRESSURE: 912800 212.582 12.8939 50.2989 12.8931 -84.8501 -249.756 50.2987 -249.756 -33.2514 GPRESSURE: 912800 228.26 63.3839 8.1264 24.6885 -64.2225 -214.835 54.7194 -211.595 2.80045 PRESSAVG: 912800 -34.6517 -4.04167 -2.38414 -4.0417 -3.90034 3.60938 -2.38415 3.6094 11.166 GPRESSAVG: 912800 -35.2481 -4.73323 -2.34822 -2.59378 -3.05018 2.0938 -2.62972 3.08325 11.3407 TIMING: 912800 CPU: 2873.11, 0.00317309/step Wall: 2873.11, 0.00317309/step, 3.60251 hours remaining, 237.699219 MB of memory in use. ENERGY: 912800 3929.1646 20584.6481 14341.8330 245.3959 -203973.2556 2873.3423 0.0000 0.0000 52136.0199 -109862.8519 299.6264 -161998.8717 -109517.7021 298.7486 31.4935 55.6126 759587.6503 -9.1287 -8.9859 PRESSURE: 913000 -102.154 -259.581 27.6096 -259.581 -307.113 10.5612 27.6093 10.5609 62.6615 GPRESSURE: 913000 -67.2724 -161.808 87.0766 -274.579 -304.228 -64.0798 -17.5032 91.658 112.311 PRESSAVG: 913000 64.3497 -27.8391 -32.3719 -27.8391 -36.7919 -45.8126 -32.3719 -45.8127 -4.58097 GPRESSAVG: 913000 63.8624 -27.0931 -34.1479 -28.4994 -37.7727 -44.77 -32.6744 -46.5816 -3.30279 TIMING: 913000 CPU: 2873.74, 0.00315419/step Wall: 2873.74, 0.00315419/step, 3.58088 hours remaining, 237.699219 MB of memory in use. ENERGY: 913000 4040.0908 20659.9988 14412.7775 240.2289 -203214.4228 2148.1447 0.0000 0.0000 51776.8187 -109936.3635 297.5621 -161713.1822 -109577.1543 298.6602 -115.5351 -86.3965 758332.2013 7.6589 7.5956 PRESSURE: 913200 149.592 -54.3988 -117.454 -54.3985 -125.586 45.3224 -117.455 45.3227 205.15 GPRESSURE: 913200 96.9038 69.0882 -117.754 -113.125 -119.175 22.468 -79.118 45.5468 340.794 PRESSAVG: 913200 -3.47757 -82.793 -15.5282 -82.793 -25.4101 -27.8849 -15.5282 -27.8849 -22.329 GPRESSAVG: 913200 -3.71396 -83.533 -15.0401 -83.6603 -24.6765 -27.3861 -14.2897 -25.6868 -22.8779 TIMING: 913200 CPU: 2874.37, 0.00316398/step Wall: 2874.37, 0.00316398/step, 3.59182 hours remaining, 237.699219 MB of memory in use. ENERGY: 913200 4012.7912 20634.7597 14452.2256 229.2728 -203581.4350 2483.6148 0.0000 0.0000 51978.8778 -109789.8932 298.7233 -161768.7709 -109429.6543 298.6954 76.3855 106.1741 759208.2033 -17.0722 -17.0894 PRESSURE: 913400 119.252 171.476 -121.704 171.475 -198.599 60.2676 -121.704 60.2668 116.454 GPRESSURE: 913400 104.201 150.182 -80.5807 110.688 -58.138 129.963 -244.035 71.4453 74.5518 PRESSAVG: 913400 7.6795 10.4541 -39.2821 10.4541 -3.84651 -10.9465 -39.2821 -10.9465 0.9256 GPRESSAVG: 913400 7.20295 10.3182 -38.1238 12.4176 -2.31693 -10.4736 -41.4517 -12.0175 0.368251 TIMING: 913400 CPU: 2875, 0.00314046/step Wall: 2875, 0.00314046/step, 3.56494 hours remaining, 237.699219 MB of memory in use. ENERGY: 913400 4029.3532 20686.6545 14443.4298 228.3419 -204066.3149 2837.2006 0.0000 0.0000 52096.7438 -109744.5910 299.4007 -161841.3348 -109390.5922 299.0731 12.3690 40.2050 760136.8820 1.5862 1.7514 PRESSURE: 913600 153.006 -83.1841 20.8212 -83.184 -317.803 -104.048 20.8212 -104.048 -28.6171 GPRESSURE: 913600 102.66 -93.5313 79.1035 -57.8367 -221.556 -81.3854 21.9129 -217.389 9.19935 PRESSAVG: 913600 13.9917 27.7706 -19.9599 27.7707 -7.43831 -12.1108 -19.9599 -12.1108 -9.67531 GPRESSAVG: 913600 14.1422 27.9906 -17.693 24.9532 -8.19746 -13.0077 -20.9469 -13.7314 -9.62023 TIMING: 913600 CPU: 2875.63, 0.00314499/step Wall: 2875.63, 0.00314499/step, 3.56991 hours remaining, 237.699219 MB of memory in use. ENERGY: 913600 4043.2640 20488.2808 14406.0590 265.0635 -204103.9330 2952.4103 0.0000 0.0000 52074.8139 -109874.0416 299.2747 -161948.8554 -109506.4402 298.9550 -64.4715 -36.5655 760559.2137 -1.0407 -1.2252 PRESSURE: 913800 -147.502 -180.479 -16.345 -180.479 26.9031 217.811 -16.3454 217.81 35.7275 GPRESSURE: 913800 -113.575 -186.923 50.8288 -122.463 120.433 122.64 -141.811 174.345 23.1906 PRESSAVG: 913800 23.6965 -28.5805 -19.9825 -28.5805 -17.2808 92.6561 -19.9825 92.6561 12.0147 GPRESSAVG: 913800 25.3095 -29.2372 -22.4929 -27.148 -17.7412 91.1615 -17.9083 94.5506 10.894 TIMING: 913800 CPU: 2876.26, 0.00314641/step Wall: 2876.26, 0.00314641/step, 3.57135 hours remaining, 237.699219 MB of memory in use. ENERGY: 913800 4063.7796 20505.4517 14313.5778 236.1231 -203567.2421 2488.2858 0.0000 0.0000 52145.2654 -109814.7587 299.6796 -161960.0241 -109456.3369 299.1194 -28.2904 10.0164 759598.4087 6.1435 6.1541 PRESSURE: 914000 -67.422 -126.437 28.1819 -126.437 174.384 -92.4583 28.1819 -92.4575 10.0815 GPRESSURE: 914000 -34.7232 -84.0197 -16.4615 -53.0587 223.984 -98.4773 23.8475 -91.7178 1.28207 PRESSAVG: 914000 80.1343 -41.7606 14.7437 -41.7606 -37.7472 37.6807 14.7437 37.6808 -18.6154 GPRESSAVG: 914000 79.9771 -40.2142 12.7496 -42.1141 -37.6649 40.2859 15.7813 37.5206 -18.6189 TIMING: 914000 CPU: 2876.89, 0.00315001/step Wall: 2876.89, 0.00315001/step, 3.57526 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 914000 3942.9163 20591.4743 14429.0760 250.3440 -203474.9749 2387.0299 0.0000 0.0000 52250.6552 -109623.4792 300.2852 -161874.1344 -109255.4810 299.8101 39.0147 63.5142 759301.4867 7.9239 7.8978 PRESSURE: 914200 90.7505 -125.146 -84.7049 -125.146 103.874 -11.2275 -84.7052 -11.2275 -386.104 GPRESSURE: 914200 66.582 -157.519 -81.1663 -158.055 116.413 26.6108 -43.344 -92.2283 -287.926 PRESSAVG: 914200 13.7034 27.3102 -5.09348 27.3103 -2.53802 -5.69951 -5.09346 -5.69956 -4.64255 GPRESSAVG: 914200 12.1115 25.9333 -4.2689 28.5623 -2.53351 -7.79198 -4.58974 -5.5823 -2.9656 TIMING: 914200 CPU: 2877.52, 0.00314407/step Wall: 2877.52, 0.00314407/step, 3.56834 hours remaining, 237.699219 MB of memory in use. ENERGY: 914200 4078.1237 20801.2924 14383.5164 262.3235 -203532.3629 2556.6110 0.0000 0.0000 51987.8045 -109462.6916 298.7746 -161450.4960 -109114.5711 299.8690 -63.8262 -34.9771 758973.3301 2.1743 2.2041 PRESSURE: 914400 -10.353 -291.317 31.0064 -291.316 330.327 129.515 31.0048 129.515 331.515 GPRESSURE: 914400 31.8908 -281.461 10.448 -392.29 310.815 285.862 -7.45346 81.6122 382.817 PRESSAVG: 914400 -32.414 -7.79073 -34.8411 -7.79071 15.2512 1.56529 -34.8412 1.56528 15.2972 GPRESSAVG: 914400 -30.8285 -11.4237 -35.8128 -10.3494 14.075 1.65761 -36.3453 1.64842 14.4402 TIMING: 914400 CPU: 2878.14, 0.00314296/step Wall: 2878.14, 0.00314296/step, 3.56691 hours remaining, 237.699219 MB of memory in use. ENERGY: 914400 4039.9764 20440.7621 14531.6620 251.8090 -203503.4424 2611.0884 0.0000 0.0000 52182.5231 -109445.6215 299.8937 -161628.1446 -109075.5957 300.1955 217.1629 241.8408 759166.0740 -0.6219 -0.7711 PRESSURE: 914600 -65.9594 3.77785 285.291 3.77755 -210.14 -105.635 285.292 -105.635 -269.448 GPRESSURE: 914600 20.4694 -8.28259 251.36 -9.58357 -201.037 -115.733 298.158 -79.9504 -253.178 PRESSAVG: 914600 -10.5669 -69.9076 36.4971 -69.9076 7.44242 -41.586 36.4972 -41.5861 -32.6546 GPRESSAVG: 914600 -11.6899 -64.4129 38.864 -69.0339 7.44841 -42.2558 36.6969 -41.7195 -31.3438 TIMING: 914600 CPU: 2878.78, 0.00315477/step Wall: 2878.78, 0.00315477/step, 3.58014 hours remaining, 237.699219 MB of memory in use. ENERGY: 914600 3974.4270 20563.9711 14442.3120 255.9792 -203712.9951 2482.7315 0.0000 0.0000 52272.1375 -109721.4368 300.4087 -161993.5742 -109348.4719 300.0353 -181.8492 -144.5820 759823.3113 -11.9264 -11.8618 PRESSURE: 914800 7.81697 15.8014 166.703 15.8014 -24.5366 106.833 166.702 106.833 -76.5329 GPRESSURE: 914800 -25.243 -45.1787 139.368 -90.3426 67.942 124.976 65.6062 87.5175 -63.1045 PRESSAVG: 914800 20.3873 -13.4498 40.5394 -13.4498 -20.7619 11.0714 40.5394 11.0714 -6.71946 GPRESSAVG: 914800 21.4261 -14.269 40.6083 -14.415 -20.1661 10.8917 39.4938 11.5999 -8.3354 TIMING: 914800 CPU: 2879.41, 0.00315195/step Wall: 2879.41, 0.00315195/step, 3.57676 hours remaining, 237.699219 MB of memory in use. ENERGY: 914800 4040.5475 20498.5937 14444.6044 233.7698 -203249.0943 2475.0363 0.0000 0.0000 51980.3142 -109576.2284 298.7316 -161556.5426 -109202.2111 298.9778 -31.0842 -6.8018 760785.7491 -2.3647 -2.3585 PRESSURE: 915000 -231.228 179.897 -160.445 179.897 -278.694 -44.6215 -160.446 -44.6212 45.9884 GPRESSURE: 915000 -193.224 199.201 -28.9325 46.3059 -193.4 16.3549 -281.886 -17.1533 5.38352 PRESSAVG: 915000 -35.9361 1.97895 -26.147 1.97895 10.1431 21.1928 -26.147 21.1928 10.0835 GPRESSAVG: 915000 -36.5239 0.37272 -27.4108 3.64873 10.8557 21.9147 -25.2751 20.177 10.2868 TIMING: 915000 CPU: 2880.03, 0.00314107/step Wall: 2880.03, 0.00314107/step, 3.56424 hours remaining, 237.699219 MB of memory in use. ENERGY: 915000 3958.4618 20612.2827 14422.0017 243.1896 -203347.1566 2360.6336 0.0000 0.0000 52116.9016 -109633.6856 299.5165 -161750.5872 -109275.0510 299.1783 -154.6445 -127.0800 762131.2535 -5.2365 -5.1271 PRESSURE: 915200 -386.45 -58.7601 314.911 -58.7613 -244.285 8.29606 314.911 8.29654 115.329 GPRESSURE: 915200 -346.767 -71.4108 292.146 -41.955 -217.71 -0.964638 294.822 -35.6706 129.139 PRESSAVG: 915200 30.6098 -10.0875 -45.5625 -10.0876 -19.5847 40.2986 -45.5626 40.2986 18.3602 GPRESSAVG: 915200 30.2021 -9.95674 -46.1329 -10.0074 -19.5442 39.3809 -44.7871 40.7563 18.2356 TIMING: 915200 CPU: 2880.67, 0.00316337/step Wall: 2880.67, 0.00316337/step, 3.58937 hours remaining, 237.699219 MB of memory in use. ENERGY: 915200 3952.0582 20504.1269 14358.5987 254.3587 -203749.9226 2708.3137 0.0000 0.0000 52176.8134 -109795.6530 299.8609 -161972.4664 -109432.2903 299.3264 -171.8019 -145.1127 761377.3328 9.7951 9.6311 PRESSURE: 915400 -412.397 39.1566 14.7759 39.157 -173.454 -64.2493 14.7761 -64.25 -147.246 GPRESSURE: 915400 -323.821 22.2934 14.0455 -5.58739 -149.45 -141.616 39.5886 7.35937 -189.42 PRESSAVG: 915400 15.081 6.84804 -20.9363 6.84799 -24.4305 16.4044 -20.9363 16.4045 2.79256 GPRESSAVG: 915400 16.1524 5.13551 -19.9691 8.22938 -25.9781 17.8064 -20.6792 19.0923 2.9299 TIMING: 915400 CPU: 2881.3, 0.00315353/step Wall: 2881.3, 0.00315353/step, 3.57803 hours remaining, 237.699219 MB of memory in use. ENERGY: 915400 4097.5866 20594.1008 14325.0246 237.3378 -203711.3734 2480.5702 0.0000 0.0000 52237.6689 -109739.0846 300.2106 -161976.7534 -109381.1025 299.8470 -244.3654 -220.8970 760308.5517 -2.1856 -2.2986 PRESSURE: 915600 -66.2929 -58.9368 1.43196 -58.9372 -240.635 -8.97845 1.43231 -8.97906 -413.225 GPRESSURE: 915600 -91.5535 -99.1178 -86.3625 -99.6449 -155.732 -157.951 48.4497 -12.4641 -375.604 PRESSAVG: 915600 -1.83632 43.4964 4.66064 43.4964 -27.4252 13.8086 4.66066 13.8087 3.46728 GPRESSAVG: 915600 -3.05992 43.4919 4.21007 43.2097 -24.9788 14.0907 4.22223 10.8752 2.65365 TIMING: 915600 CPU: 2881.93, 0.00315172/step Wall: 2881.93, 0.00315172/step, 3.5758 hours remaining, 237.699219 MB of memory in use. ENERGY: 915600 4050.8695 20356.6889 14426.9210 254.7678 -203349.2566 2446.0346 0.0000 0.0000 52347.2695 -109466.7054 300.8405 -161813.9748 -109096.0674 299.8051 -240.0511 -207.6301 761689.4465 -8.5981 -8.4617 PRESSURE: 915800 42.3199 -226.256 -106.597 -226.255 132.641 -112.584 -106.596 -112.584 -167.622 GPRESSURE: 915800 -13.6047 -151.473 -71.5525 -215.196 197.169 -199.608 -46.711 -29.9357 -102.256 PRESSAVG: 915800 33.4074 -30.6324 -12.9031 -30.6325 -23.4992 -31.3248 -12.9031 -31.3249 13.8514 GPRESSAVG: 915800 34.7849 -27.8029 -14.996 -31.6594 -24.6699 -32.8135 -13.1111 -30.2117 13.7431 TIMING: 915800 CPU: 2882.56, 0.00315766/step Wall: 2882.56, 0.00315766/step, 3.58237 hours remaining, 237.699219 MB of memory in use. ENERGY: 915800 3977.9949 20486.4990 14442.2097 267.3374 -203582.2153 2649.0521 0.0000 0.0000 52156.2737 -109602.8487 299.7428 -161759.1223 -109237.1837 299.7577 2.4464 27.1027 761793.3227 7.9199 7.9527 PRESSURE: 916000 -155.81 70.4792 -55.7228 70.4791 -312.791 34.0584 -55.7224 34.0593 46.1652 GPRESSURE: 916000 -163.209 -36.928 -101.509 217.191 -268.133 14.9195 -60.3995 45.6313 94.4492 PRESSAVG: 916000 18.7904 -70.1742 -20.3541 -70.1743 27.9921 38.3508 -20.3542 38.3507 0.439341 GPRESSAVG: 916000 17.8916 -71.31 -18.5349 -71.33 28.097 36.9857 -18.4136 37.3263 1.20487 TIMING: 916000 CPU: 2883.19, 0.00316151/step Wall: 2883.19, 0.00316151/step, 3.58655 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 916000 3954.8975 20405.5859 14370.2327 217.9009 -203166.2402 2308.0395 0.0000 0.0000 52239.4039 -109670.1798 300.2206 -161909.5837 -109304.9917 299.3484 -140.8122 -112.2977 760218.8269 15.7406 15.7311 PRESSURE: 916200 -286.586 -66.14 -134.172 -66.1408 -226.765 -250.769 -134.171 -250.768 162.704 GPRESSURE: 916200 -168.063 -72.005 -181.967 -30.845 -230.008 -163.215 -109.632 5.90196 116.494 PRESSAVG: 916200 14.3009 9.63326 -14.7839 9.63318 8.99384 44.2399 -14.784 44.2399 -3.7145 GPRESSAVG: 916200 15.4685 10.1634 -15.6872 11.1331 7.79829 45.505 -16.4945 46.5434 -3.61659 TIMING: 916200 CPU: 2883.82, 0.00315614/step Wall: 2883.82, 0.00315614/step, 3.58029 hours remaining, 237.699219 MB of memory in use. ENERGY: 916200 3949.0124 20482.3659 14435.9300 226.3168 -203252.4877 2483.4766 0.0000 0.0000 51956.2327 -109719.1533 298.5932 -161675.3861 -109350.8184 299.1988 -116.8823 -93.8591 761625.0607 6.5268 6.5501 LDB: ============= START OF LOAD BALANCING ============== 2896.22 LDB: ============== END OF LOAD BALANCING =============== 2896.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2896.22 LDB: ============= START OF LOAD BALANCING ============== 2896.54 LDB: Largest compute 7077 load 0.032701 is 16.7% of average load 0.195914 LDB: Average compute 0.004347 is 2.2% of average load 0.195914 LDB: TIME 2896.54 LOAD: AVG 0.195914 MAX 0.216018 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.477 MB LDB: TIME 2896.54 LOAD: AVG 0.195914 MAX 0.216018 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: TIME 2896.54 LOAD: AVG 0.195914 MAX 0.216018 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: ============== END OF LOAD BALANCING =============== 2896.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2896.55 PRESSURE: 916400 -736.043 -93.5428 53.6162 -93.5431 -110.361 -66.108 53.6161 -66.1088 -191.891 GPRESSURE: 916400 -573.552 -7.27834 70.4333 -132.553 -97.1986 -32.1065 91.5808 20.7341 -266.02 PRESSAVG: 916400 5.30108 -51.788 64.1561 -51.788 6.61911 3.76637 64.1562 3.76628 -22.4398 GPRESSAVG: 916400 4.09886 -50.3038 64.217 -55.2148 8.49234 5.89964 64.0861 0.667643 -22.4861 TIMING: 916400 CPU: 2884.47, 0.00322116/step Wall: 2884.47, 0.00322116/step, 3.65387 hours remaining, 237.046875 MB of memory in use. ENERGY: 916400 3926.7520 20400.1530 14404.2894 249.1272 -203202.6034 2327.1015 0.0000 0.0000 52021.5443 -109873.6359 298.9685 -161895.1803 -109513.4582 298.8990 -346.0983 -312.2567 760799.2106 -3.5065 -3.2983 PRESSURE: 916600 -291.09 -83.298 -32.9135 -83.2973 -171.69 96.7604 -32.9144 96.7604 -349.614 GPRESSURE: 916600 -176.951 -47.1885 -67.5532 140.978 -190.625 99.3659 12.9132 -17.8446 -373.706 PRESSAVG: 916600 28.2785 -74.9596 -17.6528 -74.9597 -22.3863 22.5159 -17.6529 22.5158 -0.173008 GPRESSAVG: 916600 28.3067 -77.1625 -16.3996 -71.1657 -22.5558 22.6837 -18.968 23.8247 -0.0431554 TIMING: 916600 CPU: 2885.1, 0.00314633/step Wall: 2885.1, 0.00314633/step, 3.56882 hours remaining, 237.289062 MB of memory in use. ENERGY: 916600 4026.4151 20432.6828 14464.8938 244.1839 -203383.3552 2248.8757 0.0000 0.0000 51933.0791 -110033.2249 298.4601 -161966.3040 -109671.9381 298.4697 -270.7980 -247.0938 761097.2529 1.9064 1.9026 PRESSURE: 916800 14.5864 -62.564 82.7339 -62.5634 -103.758 79.2954 82.7331 79.2955 -87.7334 GPRESSURE: 916800 3.83167 -59.6934 110.094 -126.05 -31.7845 7.15116 79.2452 131.198 -58.9012 PRESSAVG: 916800 31.3498 -37.5415 31.1227 -37.5415 3.62005 3.11886 31.1227 3.11884 -0.281652 GPRESSAVG: 916800 31.9142 -37.4064 30.4679 -38.7352 4.45281 1.99601 34.3617 1.0093 -0.992263 TIMING: 916800 CPU: 2885.72, 0.00314018/step Wall: 2885.72, 0.00314018/step, 3.56166 hours remaining, 237.433594 MB of memory in use. ENERGY: 916800 4004.5720 20417.0839 14357.9623 242.4181 -203412.7516 2459.6788 0.0000 0.0000 52014.0120 -109917.0245 298.9252 -161931.0365 -109554.8639 298.5046 -58.9683 -28.9514 761973.7129 11.5627 11.7916 PRESSURE: 917000 -199.599 43.6309 23.8238 43.6303 -177.218 6.10483 23.8243 6.10551 -38.826 GPRESSURE: 917000 -151.525 -51.6518 -22.1367 55.976 -136.605 -46.4228 -50.5193 -45.2301 -36.6703 PRESSAVG: 917000 -7.63873 -6.34091 36.075 -6.34084 -20.5304 -19.4891 36.0751 -19.4891 -15.1989 GPRESSAVG: 917000 -6.84973 -4.178 36.4646 -8.55633 -20.9854 -18.6147 33.829 -17.5119 -15.8216 TIMING: 917000 CPU: 2886.35, 0.00313541/step Wall: 2886.35, 0.00313541/step, 3.55608 hours remaining, 237.636719 MB of memory in use. ENERGY: 917000 4018.2858 20462.2740 14376.6861 244.7490 -203360.0625 2596.9721 0.0000 0.0000 51863.0946 -109798.0008 298.0579 -161661.0955 -109439.0776 298.4918 -138.5477 -108.2670 762024.9128 -14.4560 -14.5522 PRESSURE: 917200 148.108 18.5994 -60.8894 18.5986 58.4144 -112.362 -60.8899 -112.363 100.485 GPRESSURE: 917200 235.131 -1.35447 -4.99633 -80.5377 89.8338 -137.127 118.219 -84.7102 78.2187 PRESSAVG: 917200 11.6135 -51.4416 9.97628 -51.4416 -9.30608 -26.7111 9.97641 -26.7111 1.21333 GPRESSAVG: 917200 10.6555 -53.1493 7.75623 -49.4341 -9.35786 -28.4849 10.9745 -25.8912 1.49685 TIMING: 917200 CPU: 2886.98, 0.0031457/step Wall: 2886.98, 0.0031457/step, 3.56757 hours remaining, 237.636719 MB of memory in use. ENERGY: 917200 4020.4382 20341.5995 14375.6004 257.6311 -203729.9684 2589.9580 0.0000 0.0000 52133.9903 -110010.7510 299.6148 -162144.7412 -109636.8078 298.7194 102.3357 134.3946 761671.6706 1.1736 0.9315 PRESSURE: 917400 -40.7058 -31.4773 70.7182 -31.4777 -56.6361 130.631 70.7181 130.631 -316.416 GPRESSURE: 917400 -42.804 -108.065 81.0382 46.0553 -85.7853 124.575 -98.9223 42.637 -185.768 PRESSAVG: 917400 29.4258 21.3856 4.52617 21.3856 -38.6722 30.0656 4.52621 30.0656 9.30049 GPRESSAVG: 917400 29.7258 22.2775 8.62267 21.5308 -39.4566 29.4256 2.53225 29.5248 9.31247 TIMING: 917400 CPU: 2887.62, 0.00318947/step Wall: 2887.62, 0.00318947/step, 3.61703 hours remaining, 237.636719 MB of memory in use. ENERGY: 917400 4005.4904 20501.9496 14419.9664 262.1441 -203722.1771 2372.0793 0.0000 0.0000 52204.4168 -109956.1305 300.0195 -162160.5473 -109596.2094 298.5632 -137.9194 -104.7859 760649.6002 0.0180 -0.1394 PRESSURE: 917600 295.061 73.7203 -197.767 73.7216 -257.819 11.7743 -197.767 11.7757 -93.9319 GPRESSURE: 917600 277.854 44.3269 -140.46 79.8434 -196.099 -53.6717 -190.432 4.92718 -45.8164 PRESSAVG: 917600 -17.894 -25.7225 27.3636 -25.7225 0.463357 -21.7931 27.3635 -21.7931 -9.73186 GPRESSAVG: 917600 -18.3331 -25.562 26.5686 -27.7103 1.81842 -20.4569 27.7469 -22.5236 -10.6177 TIMING: 917600 CPU: 2888.25, 0.00316643/step Wall: 2888.25, 0.00316643/step, 3.59074 hours remaining, 237.636719 MB of memory in use. ENERGY: 917600 4023.9496 20409.0137 14442.3021 235.4438 -203416.2984 2465.4341 0.0000 0.0000 52185.1398 -109655.0153 299.9087 -161840.1551 -109293.9674 298.8238 -18.8966 11.9795 760000.9982 -9.0542 -9.0441 PRESSURE: 917800 -256.424 235.014 158.912 235.013 189.655 -62.8186 158.911 -62.8183 168.456 GPRESSURE: 917800 -209.485 233.936 144.602 185.029 188.19 -87.7368 148.158 -56.4188 202.009 PRESSAVG: 917800 -19.5645 -51.8707 72.4408 -51.8706 50.1852 -29.9032 72.4407 -29.9031 21.4948 GPRESSAVG: 917800 -18.076 -54.8563 71.2321 -49.0797 49.2305 -30.5736 73.6465 -29.7039 21.7074 TIMING: 917800 CPU: 2888.88, 0.00315284/step Wall: 2888.88, 0.00315284/step, 3.57514 hours remaining, 237.636719 MB of memory in use. ENERGY: 917800 3876.7610 20584.9002 14480.0972 250.8214 -203265.2239 2466.8540 0.0000 0.0000 52069.3344 -109536.4558 299.2432 -161605.7902 -109181.9359 299.4572 33.8956 60.2378 760713.5951 17.3718 17.6206 PRESSURE: 918000 -597.589 18.5752 118.839 18.5754 -150.925 202.42 118.839 202.419 -566.814 GPRESSURE: 918000 -507.261 18.8854 197.014 -16.3008 -148.03 144.56 58.6736 205.064 -568.463 PRESSAVG: 918000 31.7761 -20.5214 49.975 -20.5215 -2.52073 -0.750836 49.975 -0.750848 -26.5264 GPRESSAVG: 918000 30.2639 -17.2251 49.376 -23.6925 -2.33915 -1.13025 49.248 -1.76146 -24.9657 TIMING: 918000 CPU: 2889.51, 0.00315445/step Wall: 2889.51, 0.00315445/step, 3.57679 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 918000 4091.7853 20420.9534 14433.3626 234.6752 -202563.9415 2040.2030 0.0000 0.0000 51868.8237 -109474.1383 298.0908 -161342.9620 -109112.1961 299.5795 -438.4429 -407.9182 761291.9537 0.9096 0.9864 PRESSURE: 918200 35.0434 -88.2877 -89.3408 -88.2873 -143.892 25.4386 -89.3406 25.4385 -13.7105 GPRESSURE: 918200 30.3148 -56.4646 -47.5966 58.9596 -37.5809 14.2834 -95.0711 32.2359 -31.0346 PRESSAVG: 918200 8.52231 -21.6633 52.278 -21.6633 -50.1488 -25.1125 52.278 -25.1126 15.931 GPRESSAVG: 918200 8.74147 -21.8394 54.0964 -18.2055 -49.1654 -24.1237 51.7694 -25.5393 15.1485 TIMING: 918200 CPU: 2890.14, 0.00315494/step Wall: 2890.14, 0.00315494/step, 3.57718 hours remaining, 237.636719 MB of memory in use. ENERGY: 918200 3989.1358 20447.1202 14411.9271 257.8091 -203355.2976 2724.3684 0.0000 0.0000 52062.4039 -109462.5330 299.2034 -161524.9369 -109106.0265 299.2753 -40.8532 -12.7669 760495.3187 -8.5652 -8.4252 PRESSURE: 918400 371.194 393.154 17.2987 393.154 -88.7135 110.395 17.2979 110.396 155.29 GPRESSURE: 918400 394.677 368.522 56.845 411.721 2.77131 119.697 78.9907 0.431773 114.056 PRESSAVG: 918400 29.6039 -4.13364 -0.2601 -4.13364 -40.7547 21.9443 -0.260139 21.9443 23.3171 GPRESSAVG: 918400 29.8577 -4.2966 -0.921033 -6.43816 -41.2116 22.6047 0.998707 22.1051 23.1727 TIMING: 918400 CPU: 2890.78, 0.00317884/step Wall: 2890.78, 0.00317884/step, 3.6041 hours remaining, 237.636719 MB of memory in use. ENERGY: 918400 3961.6958 20543.6292 14452.7625 231.6710 -203204.6310 2497.3201 0.0000 0.0000 51902.2439 -109615.3085 298.2829 -161517.5524 -109257.0402 298.9711 145.9235 170.5016 760039.0492 4.0554 3.9396 PRESSURE: 918600 -159.157 -87.6227 205.79 -87.6222 -281.362 40.1394 205.79 40.1393 23.1731 GPRESSURE: 918600 -182.08 59.1849 154.925 -192.44 -203.026 9.23756 347.203 12.5206 53.3719 PRESSAVG: 918600 -4.77218 5.94621 20.1033 5.94622 -38.7526 11.6461 20.1032 11.6461 -11.4989 GPRESSAVG: 918600 -5.77981 5.27119 18.8334 5.18187 -37.9352 9.79345 21.4954 12.0468 -11.2972 TIMING: 918600 CPU: 2891.41, 0.00314964/step Wall: 2891.41, 0.00314964/step, 3.57082 hours remaining, 237.636719 MB of memory in use. ENERGY: 918600 4030.3703 20485.7578 14393.3157 230.3080 -203155.8752 2326.9192 0.0000 0.0000 52101.4228 -109587.7814 299.4276 -161689.2042 -109222.1833 299.2069 -139.1153 -110.5780 759494.8563 -18.3412 -18.3374 PRESSURE: 918800 383.446 65.299 -199.803 65.2991 33.4753 57.3204 -199.804 57.3203 13.0213 GPRESSURE: 918800 461.491 56.4474 -252.988 95.1428 27.187 68.2069 -156.558 79.8762 37.7871 PRESSAVG: 918800 54.1252 -35.7729 -1.71366 -35.773 -50.9544 -41.4409 -1.71369 -41.441 11.0264 GPRESSAVG: 918800 54.8159 -36.8441 -1.77908 -32.8703 -51.7269 -38.5676 -2.58218 -41.2511 10.8984 TIMING: 918800 CPU: 2892.04, 0.00315318/step Wall: 2892.04, 0.00315318/step, 3.57466 hours remaining, 237.636719 MB of memory in use. ENERGY: 918800 4007.3186 20486.3407 14463.4156 257.8884 -203511.8425 2645.3935 0.0000 0.0000 51969.3666 -109682.1190 298.6687 -161651.4856 -109325.0472 299.1301 143.3141 175.4883 759123.9084 4.7324 4.6625 PRESSURE: 919000 -157.089 64.6673 15.3997 64.6674 180.449 -91.5625 15.3993 -91.5638 -12.5501 GPRESSURE: 919000 -8.34019 14.0419 0.45139 186.74 164.362 -72.7382 93.1811 -42.0969 -86.8353 PRESSAVG: 919000 -57.1863 -18.1904 -2.44823 -18.1904 32.0071 -23.6221 -2.44818 -23.6222 5.49243 GPRESSAVG: 919000 -56.3884 -16.5751 -2.29582 -18.7912 32.0222 -25.9348 -3.39905 -21.6229 4.55627 TIMING: 919000 CPU: 2892.68, 0.00317352/step Wall: 2892.68, 0.00317352/step, 3.59754 hours remaining, 237.636719 MB of memory in use. ENERGY: 919000 4077.2680 20512.0113 14411.6799 239.1665 -203390.4398 2487.8057 0.0000 0.0000 51778.5523 -109883.9560 297.5721 -161662.5084 -109530.4803 298.4512 3.6033 23.0620 760385.7215 -6.5622 -6.6033 PRESSURE: 919200 179.186 -47.633 33.1783 -47.6322 58.1383 -120.732 33.1788 -120.732 -4.29535 GPRESSURE: 919200 203.958 -54.4052 -15.0469 -75.338 138.267 -204.916 79.6976 -181.812 -22.7495 PRESSAVG: 919200 2.13341 -83.9036 11.549 -83.9037 33.3473 16.315 11.5491 16.3151 6.87146 GPRESSAVG: 919200 2.24675 -84.4579 10.5318 -86.5095 32.4829 15.1313 11.5786 14.7392 7.81285 TIMING: 919200 CPU: 2893.31, 0.00317826/step Wall: 2893.31, 0.00317826/step, 3.60273 hours remaining, 237.636719 MB of memory in use. ENERGY: 919200 3951.8858 20382.6307 14417.8174 243.5814 -203212.0435 2317.3427 0.0000 0.0000 51889.1000 -110009.6855 298.2074 -161898.7855 -109638.5628 298.0556 77.6763 106.4921 760874.7338 14.1174 14.1808 PRESSURE: 919400 66.0392 46.3087 116.864 46.3085 341.77 -100.952 116.863 -100.952 -191.692 GPRESSURE: 919400 86.989 34.6177 117.572 -63.4123 385.23 -67.3348 40.6362 -69.9307 -179.489 PRESSAVG: 919400 21.0379 -83.1029 7.69457 -83.1029 4.62497 42.7146 7.6945 42.7145 3.10379 GPRESSAVG: 919400 20.5231 -84.0729 8.03491 -81.6474 5.28383 44.1451 8.70115 44.8033 2.9764 TIMING: 919400 CPU: 2893.95, 0.00318928/step Wall: 2893.95, 0.00318928/step, 3.61505 hours remaining, 237.636719 MB of memory in use. ENERGY: 919400 3950.4354 20396.6028 14373.8601 257.9792 -203553.0014 2603.0515 0.0000 0.0000 52059.5387 -109911.5337 299.1869 -161971.0723 -109545.6868 297.9026 72.0389 97.5766 760921.0916 9.5889 9.5944 PRESSURE: 919600 -213.137 -223.679 101.841 -223.679 -130.168 311.692 101.84 311.691 204.52 GPRESSURE: 919600 -212.219 -211.828 126.809 -169.577 -4.06209 289.315 95.8521 309.41 172.833 PRESSAVG: 919600 4.71457 -49.1131 5.15226 -49.1131 -15.9146 -9.00216 5.15215 -9.00222 -6.57946 GPRESSAVG: 919600 4.27156 -49.0899 6.58648 -48.5069 -15.033 -9.61362 3.16353 -9.0164 -6.56989 TIMING: 919600 CPU: 2894.58, 0.00317493/step Wall: 2894.58, 0.00317493/step, 3.5986 hours remaining, 237.636719 MB of memory in use. ENERGY: 919600 3950.2920 20259.2508 14385.8012 259.5935 -203329.8952 2440.7496 0.0000 0.0000 52055.8509 -109978.3572 299.1657 -162034.2082 -109603.9477 298.3987 -46.2618 -14.4825 763041.7772 -5.9265 -5.7771 PRESSURE: 919800 -23.4063 -240.715 -132.433 -240.716 103.561 328.771 -132.433 328.772 -219.893 GPRESSURE: 919800 -1.35494 -349.552 -167.007 -120.995 133.117 319.084 -109.707 241.478 -170.521 PRESSAVG: 919800 -59.3306 -55.3493 -1.56644 -55.3493 20.9831 14.5326 -1.56642 14.5326 -2.91315 GPRESSAVG: 919800 -58.6962 -54.7901 -1.67055 -56.6869 20.3925 16.0508 0.593829 12.7756 -2.70586 TIMING: 919800 CPU: 2895.22, 0.003157/step Wall: 2895.22, 0.003157/step, 3.57811 hours remaining, 237.636719 MB of memory in use. ENERGY: 919800 4023.4029 20390.4559 14368.7053 260.3741 -203526.9357 2608.4053 0.0000 0.0000 51898.8743 -109976.7179 298.2635 -161875.5922 -109624.0563 298.2488 -46.5793 -12.9196 761409.7981 -13.7535 -13.6699 PRESSURE: 920000 3.06097 49.9179 -36.3545 49.9175 -378.508 88.8091 -36.3541 88.8096 -6.5693 GPRESSURE: 920000 92.5933 104.587 -61.1975 -20.0622 -333.129 105.405 14.3256 113.913 -47.7193 PRESSAVG: 920000 34.0217 -24.4815 -57.9787 -24.4814 -1.31448 -40.9887 -57.9787 -40.9888 -3.85853 GPRESSAVG: 920000 33.8412 -23.5771 -58.886 -24.0612 -1.97413 -41.081 -58.4237 -40.2732 -3.08773 TIMING: 920000 CPU: 2895.85, 0.00315726/step Wall: 2895.85, 0.00315726/step, 3.57823 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 920000 3992.1103 20589.3469 14377.6370 238.8674 -203617.1807 2596.3901 0.0000 0.0000 51976.4237 -109846.4054 298.7092 -161822.8290 -109492.0718 298.1929 -127.3387 -96.0850 761735.6175 9.6162 9.5931 PRESSURE: 920200 296.831 17.0764 -2.51162 17.076 -60.8032 50.5582 -2.51213 50.5584 -179.707 GPRESSURE: 920200 360.449 -60.3217 40.8432 -5.09455 -119.204 37.2393 -58.3902 30.7972 -118.996 PRESSAVG: 920200 -31.2545 -102.95 21.2926 -102.95 -18.8107 20.2978 21.2927 20.2979 1.97024 GPRESSAVG: 920200 -30.8928 -103.713 21.0518 -102.001 -17.6608 19.9361 20.6959 21.3856 0.480027 TIMING: 920200 CPU: 2896.48, 0.00316431/step Wall: 2896.48, 0.00316431/step, 3.58604 hours remaining, 237.636719 MB of memory in use. ENERGY: 920200 4017.0982 20455.0717 14336.3973 274.1993 -203731.0764 2651.5695 0.0000 0.0000 51994.6378 -110002.1028 298.8139 -161996.7406 -109637.1487 298.5034 18.7735 40.7499 762262.1941 -16.0317 -16.0245 LDB: ============= START OF LOAD BALANCING ============== 2908.88 LDB: ============== END OF LOAD BALANCING =============== 2908.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2908.88 LDB: ============= START OF LOAD BALANCING ============== 2909.19 LDB: Largest compute 7078 load 0.033964 is 17.3% of average load 0.195935 LDB: Average compute 0.004360 is 2.2% of average load 0.195935 LDB: TIME 2909.2 LOAD: AVG 0.195935 MAX 0.215759 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.191 MB LDB: TIME 2909.2 LOAD: AVG 0.195935 MAX 0.215759 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: TIME 2909.2 LOAD: AVG 0.195935 MAX 0.215759 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2909.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2909.2 PRESSURE: 920400 -104.644 -181.627 -129.611 -181.628 -77.1432 126.078 -129.611 126.078 -62.4459 GPRESSURE: 920400 -57.8916 -151.523 -106.092 -162.4 -53.5926 45.7307 -67.5585 149.128 -56.197 PRESSAVG: 920400 48.0386 -79.6032 30.1871 -79.6032 -71.873 43.6919 30.1871 43.6919 -11.1517 GPRESSAVG: 920400 46.7032 -78.1634 31.2975 -80.3446 -72.0114 43.3728 30.6666 43.29 -9.14505 TIMING: 920400 CPU: 2897.12, 0.00321467/step Wall: 2897.12, 0.00321467/step, 3.64293 hours remaining, 235.910156 MB of memory in use. ENERGY: 920400 4011.0706 20396.0130 14376.9560 236.8310 -203644.9078 2548.9655 0.0000 0.0000 52023.9622 -110051.1096 298.9824 -162075.0717 -109675.5379 298.5344 -81.4112 -55.8937 761731.2364 -11.6620 -11.4844 PRESSURE: 920600 -271.19 -222.513 77.3616 -222.514 -226.143 -156.473 77.3619 -156.474 -574.401 GPRESSURE: 920600 -173.933 -130.908 17.1549 -161.242 -258.641 -88.905 133.723 -262.11 -551.892 PRESSAVG: 920600 -14.4953 -44.3986 -14.947 -44.3986 11.0409 21.1969 -14.9469 21.1969 9.04306 GPRESSAVG: 920600 -12.5754 -45.743 -15.9603 -42.0844 9.34181 20.7141 -16.3553 20.4204 8.77665 TIMING: 920600 CPU: 2897.75, 0.00314387/step Wall: 2897.75, 0.00314387/step, 3.56252 hours remaining, 235.910156 MB of memory in use. ENERGY: 920600 3989.1662 20554.4134 14395.1025 233.0332 -203412.8757 2399.2179 0.0000 0.0000 51974.0638 -109867.8787 298.6957 -161841.9426 -109497.5956 298.3996 -357.2447 -328.1556 760477.9654 1.8629 1.8477 PRESSURE: 920800 -131.725 143.911 134.426 143.911 251.225 -262.599 134.427 -262.598 152.454 GPRESSURE: 920800 -10.8565 41.2369 104.574 135.206 224.692 -277.823 137.251 -63.5856 143.135 PRESSAVG: 920800 20.7249 -44.9124 5.91833 -44.9124 -7.21949 6.95669 5.91833 6.95666 4.0689 GPRESSAVG: 920800 20.9342 -44.8366 7.98659 -47.6507 -7.11794 5.41186 6.75711 7.23156 3.6975 TIMING: 920800 CPU: 2898.38, 0.00315265/step Wall: 2898.38, 0.00315265/step, 3.5723 hours remaining, 235.910156 MB of memory in use. ENERGY: 920800 4048.9471 20509.4874 14384.5106 250.2117 -203905.6256 2762.7852 0.0000 0.0000 52094.3476 -109855.3360 299.3869 -161949.6837 -109497.5172 299.0904 90.6514 118.9902 760008.5095 5.8581 5.8379 PRESSURE: 921000 -100.716 -0.144347 61.7776 -0.144997 -124.748 163.541 61.7773 163.54 22.7359 GPRESSURE: 921000 -9.29692 -97.8196 -12.2035 50.8452 -161.085 140.507 16.3823 80.1377 45.5331 PRESSAVG: 921000 14.8278 -85.2131 34.5736 -85.2131 -1.57773 79.4216 34.5737 79.4216 -12.2359 GPRESSAVG: 921000 14.5187 -84.2096 33.3488 -84.0679 -1.92236 81.5616 35.8321 79.6206 -11.183 TIMING: 921000 CPU: 2899.01, 0.00314546/step Wall: 2899.01, 0.00314546/step, 3.56399 hours remaining, 235.910156 MB of memory in use. ENERGY: 921000 4009.7945 20626.4466 14384.0872 241.6896 -203673.5624 2647.1052 0.0000 0.0000 51996.4127 -109768.0265 298.8241 -161764.4392 -109413.5920 299.0596 -67.5760 -41.6161 760365.9565 0.3380 0.4711 PRESSURE: 921200 -161.369 -401.456 -266.148 -401.456 80.862 120.306 -266.149 120.306 -246.518 GPRESSURE: 921200 -57.962 -476.121 -139.049 -472.734 57.591 60.127 -213.898 38.898 -254.608 PRESSAVG: 921200 -7.15777 -59.968 -11.088 -59.968 27.1462 -44.3191 -11.088 -44.3191 5.39861 GPRESSAVG: 921200 -7.76857 -60.2686 -12.0469 -61.4467 28.9194 -43.9146 -11.9367 -45.9057 4.44745 TIMING: 921200 CPU: 2899.64, 0.00315098/step Wall: 2899.64, 0.00315098/step, 3.57006 hours remaining, 235.910156 MB of memory in use. ENERGY: 921200 4036.1207 20634.0541 14428.3179 258.0502 -204245.2025 2717.1379 0.0000 0.0000 52418.9109 -109752.6108 301.2522 -162171.5218 -109396.7828 299.2222 -109.0083 -84.9929 760074.6191 8.4624 8.5328 PRESSURE: 921400 258.39 -156.545 150.974 -156.544 -43.7451 25.3343 150.974 25.3334 398.677 GPRESSURE: 921400 239.011 -173.984 21.7281 -70.8218 39.4157 45.854 24.026 -88.5854 410.289 PRESSAVG: 921400 -18.6728 -15.5547 9.368 -15.5547 -11.2057 -0.120724 9.36805 -0.120779 11.3728 GPRESSAVG: 921400 -18.3511 -15.1988 11.1425 -13.6744 -10.5219 0.596581 9.61896 -0.230499 10.5269 TIMING: 921400 CPU: 2900.27, 0.00314363/step Wall: 2900.27, 0.00314363/step, 3.56155 hours remaining, 235.910156 MB of memory in use. ENERGY: 921400 4001.0386 20544.8340 14504.5109 243.8594 -203950.9120 2904.1781 0.0000 0.0000 51981.7775 -109770.7134 298.7400 -161752.4909 -109404.3834 299.2095 204.4408 229.5719 760503.3747 -6.1686 -6.1154 PRESSURE: 921600 66.2982 -104.261 150.608 -104.262 -33.4889 -83.7549 150.609 -83.755 -284.245 GPRESSURE: 921600 112.847 -41.1526 90.5351 -237.126 -32.085 -84.6036 -1.07109 -92.8535 -248.211 PRESSAVG: 921600 14.9304 -22.4708 -27.3554 -22.4709 -18.4206 -9.74134 -27.3554 -9.74135 -36.7083 GPRESSAVG: 921600 15.5684 -21.7231 -28.3928 -22.6301 -19.9187 -8.90892 -28.853 -8.74754 -35.2146 TIMING: 921600 CPU: 2900.9, 0.0031546/step Wall: 2900.9, 0.0031546/step, 3.57382 hours remaining, 235.910156 MB of memory in use. ENERGY: 921600 4017.3029 20366.9584 14423.3211 249.0279 -203742.0828 2778.1935 0.0000 0.0000 52261.8004 -109645.4785 300.3493 -161907.2789 -109281.5050 299.0574 -83.8120 -55.8163 760368.5736 -13.3995 -13.1883 PRESSURE: 921800 124.041 -272.316 -189.43 -272.316 -407.602 -70.9589 -189.43 -70.9598 -267.048 GPRESSURE: 921800 33.597 -208.332 -108.202 -293.707 -264.149 -52.1108 -6.40805 -88.5 -244.078 PRESSAVG: 921800 22.876 -24.6665 -37.5886 -24.6665 4.67762 47.1459 -37.5886 47.1459 3.92157 GPRESSAVG: 921800 21.9627 -25.1368 -37.1678 -23.4879 4.66481 46.5874 -34.4635 45.3213 4.83204 TIMING: 921800 CPU: 2901.53, 0.00316357/step Wall: 2901.53, 0.00316357/step, 3.58379 hours remaining, 235.910156 MB of memory in use. ENERGY: 921800 4007.7977 20537.4023 14439.7341 253.5391 -203730.6576 2584.1568 0.0000 0.0000 52126.5099 -109781.5177 299.5718 -161908.0276 -109417.5446 299.2375 -183.5366 -158.2103 759201.6313 10.4917 10.4865 PRESSURE: 922000 583.673 172.603 69.666 172.603 172.37 -77.9535 69.6661 -77.953 226.552 GPRESSURE: 922000 457.623 129.619 65.0107 185.871 250.959 -73.5845 13.3947 -105.558 361.43 PRESSAVG: 922000 -21.3948 -16.0908 67.4914 -16.0908 41.9875 32.7419 67.4914 32.742 -19.4334 GPRESSAVG: 922000 -21.1962 -18.1375 66.2323 -16.4036 43.1992 31.9217 67.2156 34.4313 -20.1996 TIMING: 922000 CPU: 2902.16, 0.00315686/step Wall: 2902.16, 0.00315686/step, 3.57602 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 922000 4031.4835 20468.1970 14425.5536 234.0590 -204028.9649 2943.6147 0.0000 0.0000 52113.4313 -109812.6257 299.4966 -161926.0570 -109453.2062 299.0955 327.5316 356.6706 760774.4083 0.3864 0.6011 PRESSURE: 922200 130.317 -145.402 -153.076 -145.402 -145.952 -57.6529 -153.076 -57.6528 20.4299 GPRESSURE: 922200 131.566 -174.824 -116.009 -199.143 -45.5762 -86.7179 -119.317 -52.8025 12.7364 PRESSAVG: 922200 79.4596 -39.9314 50.8716 -39.9314 -61.319 1.54984 50.8716 1.54996 22.0407 GPRESSAVG: 922200 78.3463 -38.6912 52.2035 -39.812 -60.0037 1.6702 49.4731 -0.472634 21.8708 TIMING: 922200 CPU: 2902.8, 0.0031599/step Wall: 2902.8, 0.0031599/step, 3.57929 hours remaining, 235.910156 MB of memory in use. ENERGY: 922200 4032.3025 20441.4452 14455.8289 251.2131 -203887.0938 2590.1785 0.0000 0.0000 52104.2332 -110011.8925 299.4437 -162116.1257 -109661.6491 299.1918 1.5983 32.9088 760722.4828 13.3938 13.4044 PRESSURE: 922400 -321.427 -175.289 39.0566 -175.289 -193.221 -20.3386 39.0567 -20.3391 200.129 GPRESSURE: 922400 -288.888 -72.2214 13.0085 -245.004 -211.605 -74.1947 -64.9171 27.4676 260.519 PRESSAVG: 922400 -8.53435 -47.2865 26.0503 -47.2865 4.55147 36.7277 26.0503 36.7277 3.7375 GPRESSAVG: 922400 -7.79071 -47.0263 26.2453 -48.2129 3.70371 36.818 26.0235 36.5696 4.03055 TIMING: 922400 CPU: 2903.43, 0.00316257/step Wall: 2903.43, 0.00316257/step, 3.58214 hours remaining, 235.910156 MB of memory in use. ENERGY: 922400 4092.0930 20560.3099 14439.7442 246.1593 -203102.7249 2343.5510 0.0000 0.0000 51550.1121 -109870.7553 296.2592 -161420.8674 -109512.0126 298.4710 -104.8394 -79.9914 760933.4585 -0.0818 -0.0188 PRESSURE: 922600 -414.691 -160.142 -154.385 -160.143 159.796 222.209 -154.385 222.209 200.602 GPRESSURE: 922600 -262.935 -197.497 -187.278 -89.2053 183.871 152.584 -151.512 243.586 102.74 PRESSAVG: 922600 4.97743 -70.6305 22.0472 -70.6305 -15.2793 5.80464 22.0472 5.80461 3.43334 GPRESSAVG: 922600 6.01661 -73.2103 22.0813 -67.7448 -15.732 4.34599 22.5774 6.97929 2.30492 TIMING: 922600 CPU: 2904.06, 0.0031498/step Wall: 2904.06, 0.0031498/step, 3.5675 hours remaining, 235.910156 MB of memory in use. ENERGY: 922600 3899.4460 20434.2530 14442.5783 253.4688 -203244.9597 2450.1101 0.0000 0.0000 52275.7193 -109489.3842 300.4293 -161765.1035 -109123.1374 298.9197 -18.0975 7.8921 760651.6427 -2.2895 -2.4702 PRESSURE: 922800 28.9861 -40.4965 -181.997 -40.4969 188.707 -228.532 -181.997 -228.532 -337.094 GPRESSURE: 922800 44.7161 -147.73 -161.056 -59.3041 207.476 -263.612 -227.907 -255.189 -274.793 PRESSAVG: 922800 20.6242 -61.2923 -37.0304 -61.2924 -31.824 -34.0681 -37.0304 -34.0681 -3.67021 GPRESSAVG: 922800 19.8359 -59.7532 -36.7449 -62.591 -31.6104 -32.8539 -37.1025 -34.7494 -2.94098 TIMING: 922800 CPU: 2904.69, 0.00316325/step Wall: 2904.69, 0.00316325/step, 3.58256 hours remaining, 235.910156 MB of memory in use. ENERGY: 922800 4030.6195 20475.1769 14465.4602 258.5915 -203137.1667 2312.5290 0.0000 0.0000 52129.7327 -109465.0570 299.5903 -161594.7897 -109107.7021 299.4412 -39.8001 -7.5337 760406.1253 -4.9567 -4.9052 PRESSURE: 923000 -115.296 37.4675 27.231 37.4684 -48.1995 -213.491 27.2306 -213.491 207.753 GPRESSURE: 923000 -66.485 -32.2868 35.2856 45.5577 -18.221 -143.959 40.6626 -223.928 205.928 PRESSAVG: 923000 8.06981 -80.9355 -34.8158 -80.9355 -14.9937 43.9822 -34.8159 43.9822 -17.8275 GPRESSAVG: 923000 8.36196 -81.0754 -36.1298 -80.8252 -14.1736 44.5079 -35.069 44.2734 -18.37 TIMING: 923000 CPU: 2905.32, 0.00316438/step Wall: 2905.32, 0.00316438/step, 3.58366 hours remaining, 235.910156 MB of memory in use. ENERGY: 923000 4004.8380 20648.9169 14392.8568 239.1856 -203366.8307 2389.2878 0.0000 0.0000 52239.1847 -109452.5609 300.2193 -161691.7457 -109101.7290 299.6765 14.7524 40.4074 759975.5714 -8.2505 -8.0605 PRESSURE: 923200 463.189 -297.8 38.573 -297.799 89.745 -20.6169 38.5732 -20.6168 -131.758 GPRESSURE: 923200 522.43 -160.472 91.6944 -359.27 75.3027 22.7203 30.2431 53.1061 -80.9288 PRESSAVG: 923200 29.0609 -87.63 47.4357 -87.63 -49.77 14.4736 47.4357 14.4737 4.15351 GPRESSAVG: 923200 30.39 -89.81 48.8542 -86.3231 -51.8318 14.0553 46.9643 15.1565 3.90576 TIMING: 923200 CPU: 2905.96, 0.00315814/step Wall: 2905.96, 0.00315814/step, 3.57642 hours remaining, 235.910156 MB of memory in use. ENERGY: 923200 4033.2149 20610.9268 14360.0088 266.0805 -203728.7797 2809.3854 0.0000 0.0000 52151.4391 -109497.7241 299.7150 -161649.1632 -109142.2585 300.2189 140.3920 172.2680 758921.5329 -5.5185 -5.8454 PRESSURE: 923400 165.599 151.122 30.9018 151.123 40.8672 -65.1334 30.9023 -65.1334 203.693 GPRESSURE: 923400 188.192 132.182 -39.1283 64.8747 128.912 -142.152 133.456 -23.805 183.742 PRESSAVG: 923400 76.448 -73.5713 -10.7192 -73.5714 -53.3884 63.1776 -10.7192 63.1776 4.16109 GPRESSAVG: 923400 74.5039 -71.0302 -11.0783 -78.3419 -52.4539 64.0115 -11.0883 62.1512 5.4744 TIMING: 923400 CPU: 2906.59, 0.0031537/step Wall: 2906.59, 0.0031537/step, 3.57122 hours remaining, 235.910156 MB of memory in use. ENERGY: 923400 4094.2557 20531.6735 14481.2705 250.0731 -203761.3358 3013.3396 0.0000 0.0000 51932.7000 -109458.0234 298.4579 -161390.7235 -109106.6867 299.8136 136.7197 166.9485 760052.6137 9.0736 9.1748 PRESSURE: 923600 -338.494 -111.542 -29.3378 -111.541 18.3169 130.609 -29.3376 130.61 -431.72 GPRESSURE: 923600 -317.699 -119.693 -45.3388 -159.708 74.9577 61.386 -48.4655 189.837 -422.14 PRESSAVG: 923600 -23.8673 -15.5685 -34.2387 -15.5685 25.2123 18.3371 -34.2388 18.337 29.009 GPRESSAVG: 923600 -22.7278 -14.6421 -34.3167 -12.8015 25.3352 17.0692 -31.3951 19.5696 28.312 TIMING: 923600 CPU: 2907.22, 0.00315405/step Wall: 2907.22, 0.00315405/step, 3.57143 hours remaining, 235.910156 MB of memory in use. ENERGY: 923600 4043.9415 20379.5794 14415.9888 247.5009 -203460.3120 2457.3938 0.0000 0.0000 52566.2914 -109349.6162 302.0992 -161915.9076 -108985.2984 299.7221 -250.6326 -221.6273 760153.1940 10.1180 10.3065 PRESSURE: 923800 -213.866 149.879 -80.3074 149.878 110.616 -343.507 -80.3072 -343.506 -37.815 GPRESSURE: 923800 -114.828 130.243 -129.397 46.9259 131.32 -331.938 -60.1986 -415.144 -54.8248 PRESSAVG: 923800 -1.40367 -59.0033 7.39621 -59.0033 7.34994 20.524 7.39617 20.5241 10.8181 GPRESSAVG: 923800 -0.426187 -59.4941 5.84055 -60.1437 6.33729 21.3513 3.96443 18.8773 10.8711 TIMING: 923800 CPU: 2907.85, 0.00315024/step Wall: 2907.85, 0.00315024/step, 3.56695 hours remaining, 235.910156 MB of memory in use. ENERGY: 923800 4059.2562 20483.7271 14389.7660 239.9336 -202823.6369 2339.0314 0.0000 0.0000 52133.6935 -109178.2291 299.6131 -161311.9226 -108823.2611 299.7009 -47.0216 -12.7779 760740.9156 5.5881 5.5941 PRESSURE: 924000 -21.8565 -24.1001 404.465 -24.0997 -171.19 223.155 404.465 223.155 77.1703 GPRESSURE: 924000 -13.0583 -89.4084 390.124 6.26135 -96.3416 280.603 330.883 120.744 76.7869 PRESSAVG: 924000 17.8999 -48.6254 61.2164 -48.6253 -30.2124 -5.5605 61.2164 -5.56049 8.72125 GPRESSAVG: 924000 15.5097 -49.5221 64.1408 -49.0971 -29.54 -5.344 61.0116 -7.91236 9.60254 TIMING: 924000 CPU: 2908.48, 0.0031717/step Wall: 2908.48, 0.0031717/step, 3.59107 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 924000 3990.5536 20371.6656 14463.7249 256.1923 -203465.9442 2952.8071 0.0000 0.0000 52180.0530 -109250.9477 299.8795 -161431.0007 -108886.7661 299.4016 -38.6256 -10.8710 761269.7467 -1.1971 -1.4759 PRESSURE: 924200 408.724 36.4957 298.714 36.4964 -64.0675 147.691 298.715 147.691 -233.307 GPRESSURE: 924200 357.968 81.2233 305.522 -62.4 45.4795 113.829 138.097 144.373 -202.48 PRESSAVG: 924200 -21.9753 -51.8003 -13.0335 -51.8003 19.8933 -35.0794 -13.0335 -35.0794 9.60488 GPRESSAVG: 924200 -20.673 -52.1075 -12.703 -48.4033 20.1603 -35.8938 -15.2048 -31.6932 8.32941 TIMING: 924200 CPU: 2909.12, 0.00316574/step Wall: 2909.12, 0.00316574/step, 3.58414 hours remaining, 235.910156 MB of memory in use. ENERGY: 924200 3996.1040 20519.0077 14424.2066 234.5614 -203357.9446 2766.8777 0.0000 0.0000 52129.6615 -109287.5257 299.5899 -161417.1873 -108925.6641 299.8184 37.1167 66.9891 761363.0435 2.5076 2.6055 LDB: ============= START OF LOAD BALANCING ============== 2921.51 LDB: ============== END OF LOAD BALANCING =============== 2921.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2921.52 LDB: ============= START OF LOAD BALANCING ============== 2921.83 LDB: Largest compute 7078 load 0.034896 is 17.8% of average load 0.195798 LDB: Average compute 0.004387 is 2.2% of average load 0.195798 LDB: TIME 2921.84 LOAD: AVG 0.195798 MAX 0.218971 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.191 MB LDB: TIME 2921.84 LOAD: AVG 0.195798 MAX 0.218971 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: TIME 2921.84 LOAD: AVG 0.195798 MAX 0.217508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: ============== END OF LOAD BALANCING =============== 2921.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2921.84 PRESSURE: 924400 -193.871 78.8372 -82.2573 78.8364 -325.352 -130.2 -82.2571 -130.2 -419.749 GPRESSURE: 924400 -173.807 71.5154 -14.2067 -81.3025 -298.569 -157.702 -25.1604 -98.3412 -391.538 PRESSAVG: 924400 24.0508 2.671 29.6303 2.67103 7.63713 11.7308 29.6304 11.7308 25.255 GPRESSAVG: 924400 23.4327 4.98964 30.2772 -1.29007 7.67787 12.4243 31.9396 10.3963 26.0655 TIMING: 924400 CPU: 2909.76, 0.0032249/step Wall: 2909.76, 0.0032249/step, 3.65094 hours remaining, 237.445312 MB of memory in use. ENERGY: 924400 4039.0113 20424.0891 14433.5560 235.2518 -203014.8484 2243.0968 0.0000 0.0000 52076.6238 -109563.2196 299.2851 -161639.8434 -109199.1594 299.5602 -312.9908 -287.9713 761169.1808 18.9810 19.0587 PRESSURE: 924600 323.133 -48.2928 32.43 -48.292 30.0402 -248.751 32.4295 -248.752 499.007 GPRESSURE: 924600 298.895 -109.226 57.9692 -91.54 164.792 -172.998 48.1211 -306.996 464.815 PRESSAVG: 924600 28.1527 46.2175 31.5914 46.2175 -45.0894 -53.6125 31.5914 -53.6125 0.337982 GPRESSAVG: 924600 28.061 45.1782 29.0276 48.5401 -45.1909 -52.743 31.9585 -52.6223 0.102597 TIMING: 924600 CPU: 2910.39, 0.00315829/step Wall: 2910.39, 0.00315829/step, 3.57536 hours remaining, 237.707031 MB of memory in use. ENERGY: 924600 3912.8048 20514.7257 14478.7840 257.0561 -203779.2828 3031.1372 0.0000 0.0000 52147.4041 -109437.3709 299.6918 -161584.7750 -109080.3178 299.7601 284.0600 309.5007 759174.8760 -5.5329 -5.6758 PRESSURE: 924800 440.687 -85.2708 -6.35857 -85.2709 80.1752 2.83581 -6.35829 2.83621 630.93 GPRESSURE: 924800 353.065 -51.2827 -27.2973 -170.186 165.732 -47.7097 32.9224 -152.55 713.993 PRESSAVG: 924800 2.00352 30.41 -18.5393 30.41 5.40273 55.5003 -18.5393 55.5003 4.09085 GPRESSAVG: 924800 2.23567 31.3793 -17.8155 29.3237 4.93662 54.3183 -20.0692 54.9339 3.91851 TIMING: 924800 CPU: 2911.02, 0.00314244/step Wall: 2911.02, 0.00314244/step, 3.55724 hours remaining, 237.707031 MB of memory in use. ENERGY: 924800 3920.4916 20362.7518 14444.8145 244.2474 -203260.4086 2848.0939 0.0000 0.0000 52218.4199 -109221.5894 300.1000 -161440.0093 -108861.3113 299.5093 383.9307 410.9297 760613.2776 3.8324 3.6969 PRESSURE: 925000 -116.396 112.547 -37.2588 112.547 -153.464 -12.5307 -37.2589 -12.5311 233.81 GPRESSURE: 925000 10.8181 53.2145 -32.5176 83.5905 -104.717 19.7157 -84.0308 20.5284 125.355 PRESSAVG: 925000 -9.4686 39.5935 38.2516 39.5935 -1.01901 -20.712 38.2515 -20.712 25.2226 GPRESSAVG: 925000 -8.85159 37.653 35.7326 38.7606 -1.2411 -20.8353 41.3659 -20.3548 25.0511 TIMING: 925000 CPU: 2911.65, 0.00314988/step Wall: 2911.65, 0.00314988/step, 3.56548 hours remaining, 237.781250 MB of memory in use. ENERGY: 925000 4014.4137 20490.1599 14443.3243 243.1295 -203346.8899 2644.0381 0.0000 0.0000 52163.0734 -109348.7510 299.7819 -161511.8244 -108984.0369 300.4738 -12.0166 10.4854 760689.7314 4.9116 4.9861 PRESSURE: 925200 29.1873 53.8574 -94.0077 53.8574 -103.606 14.557 -94.0075 14.5578 -248.446 GPRESSURE: 925200 123.856 -46.8273 -83.2303 53.5456 -124.649 34.2468 -34.8647 106.491 -248.68 PRESSAVG: 925200 63.9466 -47.1884 -7.43966 -47.1883 -20.817 -5.93406 -7.43975 -5.93406 -10.3451 GPRESSAVG: 925200 62.5069 -47.4678 -5.0651 -47.6769 -20.1911 -7.33421 -9.09474 -4.12433 -9.51168 TIMING: 925200 CPU: 2912.28, 0.00314726/step Wall: 2912.28, 0.00314726/step, 3.56235 hours remaining, 237.781250 MB of memory in use. ENERGY: 925200 4010.0912 20363.0031 14422.6748 235.6357 -203100.1645 2358.7691 0.0000 0.0000 52288.1426 -109421.8479 300.5007 -161709.9905 -109055.8202 299.4449 -107.6216 -83.1577 759197.3302 10.9282 10.9347 PRESSURE: 925400 21.8618 -104.138 7.54241 -104.138 -15.5105 180.776 7.5432 180.776 -8.89038 GPRESSURE: 925400 61.8483 -133.318 1.48798 -4.32584 45.4951 199.864 83.7861 72.0423 -31.8453 PRESSAVG: 925400 22.698 -51.7179 9.95656 -51.7179 -29.5945 -19.0129 9.95655 -19.0129 -10.3328 GPRESSAVG: 925400 24.1485 -50.9387 9.73582 -49.5248 -31.4634 -17.1235 11.705 -20.1991 -10.391 TIMING: 925400 CPU: 2912.9, 0.00312294/step Wall: 2912.9, 0.00312294/step, 3.53464 hours remaining, 237.781250 MB of memory in use. ENERGY: 925400 4122.0274 20550.9965 14497.4048 259.7148 -203200.8293 2503.3043 0.0000 0.0000 51924.8795 -109342.5020 298.4130 -161267.3815 -108982.2537 299.7614 -0.8464 25.1660 760275.1100 -5.7431 -5.9019 PRESSURE: 925600 129.566 -56.1787 -29.8369 -56.1786 41.6721 -14.7248 -29.837 -14.7266 44.3078 GPRESSURE: 925600 113.18 -11.6828 -63.7599 -115.44 105.529 -68.4015 -36.3965 119.136 84.1661 PRESSAVG: 925600 1.41915 56.0683 -11.2929 56.0683 -30.6091 -16.416 -11.2929 -16.416 -8.15801 GPRESSAVG: 925600 0.809556 55.2451 -10.4652 56.3385 -30.378 -16.349 -13.1325 -15.6284 -7.85191 TIMING: 925600 CPU: 2913.53, 0.0031404/step Wall: 2913.53, 0.0031404/step, 3.55423 hours remaining, 237.781250 MB of memory in use. ENERGY: 925600 4084.9657 20468.7514 14480.5737 230.0124 -203139.8117 2424.0118 0.0000 0.0000 52267.4265 -109184.0702 300.3816 -161451.4967 -108824.0913 300.1418 71.8487 100.9586 760533.9210 -12.4493 -12.4735 PRESSURE: 925800 168.237 62.6475 42.4274 62.6467 -39.8108 -124.285 42.4265 -124.285 299.614 GPRESSURE: 925800 100.43 -62.37 100.908 86.085 34.9858 -185.412 12.8267 -52.2907 368.603 PRESSAVG: 925800 32.7712 -37.7147 4.47839 -37.7147 -36.8373 -32.3043 4.47841 -32.3043 -8.07327 GPRESSAVG: 925800 31.3089 -36.0321 3.73624 -38.6921 -36.3412 -32.9521 4.90016 -33.8257 -7.15834 TIMING: 925800 CPU: 2914.16, 0.00313422/step Wall: 2914.16, 0.00313422/step, 3.54707 hours remaining, 237.781250 MB of memory in use. ENERGY: 925800 4021.4249 20726.1645 14449.3761 253.9356 -203456.7936 2672.1420 0.0000 0.0000 51871.6691 -109462.0814 298.1072 -161333.7505 -109108.5466 299.9168 142.6801 168.0064 762498.0141 -4.0465 -4.0635 PRESSURE: 926000 18.3706 107.378 7.19623 107.38 -114.367 71.5274 7.19523 71.527 208.225 GPRESSURE: 926000 82.8767 70.1955 104.263 55.6363 -118.072 105.263 41.3662 141.969 224.164 PRESSAVG: 926000 93.1523 -45.7496 -54.7524 -45.7496 -67.0224 -24.689 -54.7523 -24.689 8.07023 GPRESSAVG: 926000 94.9523 -45.4479 -54.4521 -46.3079 -67.6983 -24.2042 -53.3571 -24.5043 6.93414 TIMING: 926000 CPU: 2914.79, 0.00315138/step Wall: 2914.79, 0.00315138/step, 3.56631 hours remaining, 237.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 926000 3918.7477 20570.9319 14451.2221 277.5853 -203045.1162 2298.2086 0.0000 0.0000 51947.0002 -109581.4204 298.5401 -161528.4206 -109217.7350 299.5975 37.4095 62.9896 759648.6086 11.4000 11.3961 PRESSURE: 926200 -30.7493 164.503 -29.7649 164.503 43.9224 183.882 -29.7655 183.882 -116.159 GPRESSURE: 926200 154.888 84.8019 -86.2519 186.232 11.958 188.668 -186.122 89.2254 -174.63 PRESSAVG: 926200 47.5822 -18.1817 -32.23 -18.1817 -53.1421 25.2472 -32.2299 25.2472 39.9385 GPRESSAVG: 926200 47.2588 -18.1949 -32.477 -16.7498 -53.0326 23.2122 -34.2752 24.8554 39.874 TIMING: 926200 CPU: 2915.42, 0.00315467/step Wall: 2915.42, 0.00315467/step, 3.56986 hours remaining, 237.781250 MB of memory in use. ENERGY: 926200 4008.7196 20503.8734 14461.1125 232.1133 -203497.5367 2679.4278 0.0000 0.0000 52095.0634 -109517.2267 299.3910 -161612.2902 -109157.7488 299.5244 -34.3288 -2.5949 761601.1597 11.4595 11.3667 PRESSURE: 926400 151.099 -164.231 -26.6893 -164.231 -313.207 -103.438 -26.6887 -103.439 18.3552 GPRESSURE: 926400 199.041 -133.809 -105.789 -186.98 -250.427 -27.73 22.2934 57.8865 -20.2494 PRESSAVG: 926400 67.067 -33.6475 -3.9372 -33.6475 -57.3184 -18.3194 -3.93721 -18.3194 8.04674 GPRESSAVG: 926400 66.721 -33.2216 -4.29563 -35.3471 -57.3231 -17.926 -3.6509 -16.3565 8.52026 TIMING: 926400 CPU: 2916.05, 0.00315509/step Wall: 2916.05, 0.00315509/step, 3.57017 hours remaining, 237.781250 MB of memory in use. ENERGY: 926400 4023.4148 20615.5390 14570.0868 246.4703 -203355.4996 2480.1040 0.0000 0.0000 51962.1447 -109457.7400 298.6272 -161419.8847 -109090.1021 299.3225 -47.9176 -23.8785 761483.3652 5.9318 5.9727 PRESSURE: 926600 142.974 47.0795 169.243 47.0808 -200.759 -102.708 169.242 -102.709 302.067 GPRESSURE: 926600 185.062 6.44625 155.99 -8.96405 -175.423 -151.037 248.524 -187.546 316.225 PRESSAVG: 926600 79.6104 -62.5601 -15.516 -62.5601 -114.744 -30.0508 -15.5159 -30.0508 6.97471 GPRESSAVG: 926600 79.7789 -62.6286 -14.3882 -60.9553 -115.12 -28.7105 -14.9642 -31.5578 6.92068 TIMING: 926600 CPU: 2916.68, 0.0031358/step Wall: 2916.68, 0.0031358/step, 3.54815 hours remaining, 237.781250 MB of memory in use. ENERGY: 926600 3942.3067 20604.8020 14509.8139 245.6578 -203299.6857 2527.7794 0.0000 0.0000 52058.2358 -109411.0901 299.1794 -161469.3260 -109051.6589 299.5106 81.4276 108.6214 760211.7500 -9.3862 -9.4735 PRESSURE: 926800 -18.0656 -25.7021 6.93553 -25.7016 -84.1539 52.3887 6.93435 52.3896 -254.967 GPRESSURE: 926800 6.33728 6.67425 -37.3316 -62.839 -55.0858 97.7994 -9.65516 67.0071 -221.353 PRESSAVG: 926800 -1.59002 0.282091 -19.5411 0.282123 -27.202 -9.57135 -19.5411 -9.57128 4.49009 GPRESSAVG: 926800 -2.83004 1.1493 -20.6099 -0.850644 -26.8378 -9.24156 -19.6018 -9.25759 5.78566 TIMING: 926800 CPU: 2917.31, 0.00314859/step Wall: 2917.31, 0.00314859/step, 3.56246 hours remaining, 237.781250 MB of memory in use. ENERGY: 926800 4025.7845 20505.4708 14461.8860 248.1449 -203325.5805 2535.0842 0.0000 0.0000 52231.9275 -109317.2827 300.1776 -161549.2101 -108957.0860 299.7619 -119.0623 -90.0339 761804.8589 -8.1006 -7.9607 PRESSURE: 927000 -124.658 60.4939 -20.2083 60.4938 -293.035 45.2368 -20.2088 45.236 -164.762 GPRESSURE: 927000 -125.968 66.9953 -10.1643 18.5883 -167.203 84.8703 11.7058 -18.476 -196.393 PRESSAVG: 927000 38.2026 -39.7752 -23.4543 -39.7752 -37.593 -17.2395 -23.4543 -17.2394 0.221333 GPRESSAVG: 927000 37.7234 -39.7495 -22.4156 -40.6904 -36.3661 -18.5271 -24.4732 -16.9589 -0.890345 TIMING: 927000 CPU: 2917.94, 0.00313629/step Wall: 2917.94, 0.00313629/step, 3.54837 hours remaining, 237.781250 MB of memory in use. ENERGY: 927000 3959.9564 20570.6313 14457.5604 231.6774 -203070.9423 2447.8369 0.0000 0.0000 52073.2174 -109330.0626 299.2655 -161403.2800 -108955.9409 299.8929 -194.1517 -163.1881 761132.0855 0.2770 0.1556 PRESSURE: 927200 148.568 -6.5951 97.0868 -6.59581 186.572 -86.0728 97.0873 -86.0737 -196.684 GPRESSURE: 927200 224.563 -144.597 174.265 8.61941 133.433 -133.316 169.326 -33.6353 -147.211 PRESSAVG: 927200 -14.3499 -3.12828 -20.7025 -3.12831 12.538 38.7773 -20.7024 38.7774 -19.7714 GPRESSAVG: 927200 -13.1056 -5.48428 -21.7263 -2.50932 12.0167 38.2551 -18.9946 37.5502 -20.4037 TIMING: 927200 CPU: 2918.57, 0.00315089/step Wall: 2918.57, 0.00315089/step, 3.56471 hours remaining, 237.781250 MB of memory in use. ENERGY: 927200 3958.0831 20450.7698 14369.6834 232.1651 -202959.4030 2484.1214 0.0000 0.0000 52263.5463 -109201.0339 300.3593 -161464.5802 -108826.7993 299.3771 46.1519 70.2616 762026.1807 -7.1944 -7.1642 PRESSURE: 927400 14.2777 8.66053 266.051 8.66065 19.8655 -39.548 266.051 -39.5484 -11.834 GPRESSURE: 927400 -0.193601 34.0442 239.056 -38.0845 93.497 -70.8161 331.02 2.17873 5.91354 PRESSAVG: 927400 -6.52711 -17.1234 -21.7056 -17.1234 -23.1495 -31.9745 -21.7057 -31.9745 0.52691 GPRESSAVG: 927400 -7.86345 -16.4122 -21.5655 -16.5948 -23.5587 -31.0888 -23.0487 -32.1497 2.06136 TIMING: 927400 CPU: 2919.2, 0.00314784/step Wall: 2919.2, 0.00314784/step, 3.56108 hours remaining, 237.781250 MB of memory in use. ENERGY: 927400 4077.1823 20554.0311 14445.3858 269.5712 -203221.5723 2661.2182 0.0000 0.0000 51947.6698 -109266.5139 298.5440 -161214.1836 -108917.6746 299.3738 7.4364 33.0723 761187.8499 -9.7166 -9.7869 PRESSURE: 927600 239.729 109.269 -156.275 109.269 69.2104 138.158 -156.275 138.158 55.0725 GPRESSURE: 927600 241.809 90.1762 -31.3146 36.8079 77.6245 140.807 -61.3178 112.096 125.406 PRESSAVG: 927600 -17.2304 10.6259 -23.4086 10.6259 40.1877 -31.1646 -23.4086 -31.1646 3.89235 GPRESSAVG: 927600 -16.9382 12.2754 -24.8613 11.373 41.5649 -30.8886 -24.2514 -29.3719 2.42942 TIMING: 927600 CPU: 2919.82, 0.00312426/step Wall: 2919.82, 0.00312426/step, 3.53423 hours remaining, 237.781250 MB of memory in use. ENERGY: 927600 4052.2334 20566.0824 14425.3251 240.6962 -203226.7495 2582.7596 0.0000 0.0000 52193.1561 -109166.4967 299.9548 -161359.6528 -108806.2511 299.7175 121.3374 148.2799 760449.2721 8.9499 9.0187 PRESSURE: 927800 -73.4991 -67.0643 -32.0395 -67.0637 128.956 46.0999 -32.0394 46.0996 385.862 GPRESSURE: 927800 51.7794 -37.607 56.6599 -153.52 44.1058 109.259 -41.0772 6.55989 446.975 PRESSAVG: 927800 -31.4541 -10.0047 -18.7719 -10.0047 35.307 -44.3275 -18.7719 -44.3274 19.6443 GPRESSAVG: 927800 -30.2981 -10.0501 -18.7684 -11.0251 32.9606 -44.7517 -18.815 -44.688 20.8664 TIMING: 927800 CPU: 2920.45, 0.00316002/step Wall: 2920.45, 0.00316002/step, 3.57451 hours remaining, 237.851562 MB of memory in use. ENERGY: 927800 4007.7479 20489.3206 14389.5302 254.8215 -203495.9177 2885.1362 0.0000 0.0000 52159.3161 -109310.0452 299.7603 -161469.3613 -108940.4188 299.7463 147.1061 180.9535 761786.2142 7.8324 7.8430 PRESSURE: 928000 221.89 -105.389 53.3708 -105.389 49.1551 -141.229 53.3708 -141.23 0.95526 GPRESSURE: 928000 202.952 -143.319 127.462 -54.626 223.792 -154.746 32.516 -148.902 -60.7419 PRESSAVG: 928000 -7.78373 20.3716 -22.9708 20.3715 40.2915 -30.0373 -22.9709 -30.0373 0.539714 GPRESSAVG: 928000 -8.55177 20.1004 -20.6778 22.7309 41.7911 -30.5363 -21.0405 -29.506 -0.211973 TIMING: 928000 CPU: 2921.08, 0.00315894/step Wall: 2921.08, 0.00315894/step, 3.57311 hours remaining, 237.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 928000 3974.4438 20448.8755 14501.4187 252.3895 -203257.9916 2566.3993 0.0000 0.0000 52280.7153 -109233.7495 300.4580 -161514.4648 -108858.7825 300.1101 90.6669 122.0006 761189.0776 11.0158 11.0091 PRESSURE: 928200 -119.759 -173.215 -35.1562 -173.215 -143.581 35.2804 -35.1553 35.2795 -258.856 GPRESSURE: 928200 -210.281 -162.436 -43.3638 -4.70556 -91.8354 99.5757 60.6722 9.54664 -148.87 PRESSAVG: 928200 -2.86405 6.70271 -13.2887 6.70275 37.0703 -34.1745 -13.2887 -34.1745 23.7846 GPRESSAVG: 928200 -3.15481 8.22779 -13.9672 4.12801 36.3212 -33.0069 -12.0798 -35.4506 24.4588 TIMING: 928200 CPU: 2921.71, 0.00314637/step Wall: 2921.71, 0.00314637/step, 3.55872 hours remaining, 237.851562 MB of memory in use. ENERGY: 928200 4016.5885 20385.4943 14529.6021 248.9931 -203342.7279 2676.7096 0.0000 0.0000 52153.4130 -109331.9273 299.7264 -161485.3402 -108965.3134 299.6287 -174.0654 -150.3289 761828.6663 19.3303 19.2084 LDB: ============= START OF LOAD BALANCING ============== 2934.11 LDB: ============== END OF LOAD BALANCING =============== 2934.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2934.11 LDB: ============= START OF LOAD BALANCING ============== 2934.43 LDB: Largest compute 7068 load 0.033106 is 16.9% of average load 0.195821 LDB: Average compute 0.004385 is 2.2% of average load 0.195821 LDB: TIME 2934.44 LOAD: AVG 0.195821 MAX 0.218193 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.75 MB LDB: TIME 2934.44 LOAD: AVG 0.195821 MAX 0.218193 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.754 MB LDB: TIME 2934.44 LOAD: AVG 0.195821 MAX 0.218193 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.754 MB LDB: ============== END OF LOAD BALANCING =============== 2934.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2934.44 PRESSURE: 928400 149.423 35.2855 89.0556 35.2856 54.3338 -104.506 89.0546 -104.506 165.522 GPRESSURE: 928400 148.298 102.367 182.586 -5.57619 85.3765 -61.3889 136.609 -111.161 205.477 PRESSAVG: 928400 -40.3234 -5.35469 -6.02655 -5.35466 30.8534 -32.3978 -6.02656 -32.3977 6.46488 GPRESSAVG: 928400 -40.3372 -7.62051 -7.24093 -4.78997 31.3783 -31.3533 -6.77897 -32.7778 5.7537 TIMING: 928400 CPU: 2922.36, 0.00323172/step Wall: 2922.36, 0.00323173/step, 3.65508 hours remaining, 235.910156 MB of memory in use. ENERGY: 928400 3934.6299 20433.8524 14429.5258 235.9290 -203108.5551 2470.3138 0.0000 0.0000 52122.0766 -109482.2276 299.5463 -161604.3042 -109112.7800 299.0619 123.0930 146.3836 761314.8568 -1.0017 -1.0684 PRESSURE: 928600 145.172 159.257 -246.994 159.257 264.417 318.961 -246.994 318.961 -306.001 GPRESSURE: 928600 108.392 163.462 -238.979 95.4841 317.524 295.61 -223.869 242.992 -244.352 PRESSAVG: 928600 40.6822 -61.2834 -40.8052 -61.2835 -56.277 70.1454 -40.8052 70.1455 -4.53065 GPRESSAVG: 928600 41.0365 -61.251 -38.2691 -61.5695 -56.8524 68.3732 -43.3249 70.3017 -4.26372 TIMING: 928600 CPU: 2922.99, 0.00314788/step Wall: 2922.99, 0.00314788/step, 3.56008 hours remaining, 235.910156 MB of memory in use. ENERGY: 928600 3916.4003 20271.6241 14482.0103 236.3938 -203282.1949 2617.1092 0.0000 0.0000 52259.9161 -109498.7412 300.3385 -161758.6573 -109127.8811 299.2598 34.5294 60.5213 761907.3674 -6.7085 -6.6932 PRESSURE: 928800 -58.1224 -171.324 43.5005 -171.325 -247.128 -60.2689 43.5004 -60.2687 -128.271 GPRESSURE: 928800 28.3091 -91.958 41.974 -144.661 -204.634 28.6981 8.18403 -174.596 -141.914 PRESSAVG: 928800 43.8529 -46.7197 -5.56086 -46.7197 -32.557 -9.04908 -5.56094 -9.04904 1.0015 GPRESSAVG: 928800 44.0748 -44.1109 -6.57153 -47.2721 -32.1605 -7.47652 -5.14254 -12.3635 0.453518 TIMING: 928800 CPU: 2923.62, 0.00315039/step Wall: 2923.62, 0.00315039/step, 3.56274 hours remaining, 235.949219 MB of memory in use. ENERGY: 928800 3972.4549 20417.6991 14448.7017 247.0634 -203137.3598 2485.1890 0.0000 0.0000 52129.7362 -109436.5153 299.5903 -161566.2515 -109069.9832 298.8098 -144.5070 -106.0799 760707.4937 4.0991 4.1226 PRESSURE: 929000 -63.3814 31.2335 -9.6293 31.2338 199.414 46.0775 -9.62953 46.0778 -42.4344 GPRESSURE: 929000 -0.40866 -53.9181 52.5702 -52.9926 191.964 -23.0814 -88.2673 41.416 -13.0652 PRESSAVG: 929000 -23.1321 -27.4752 -0.647577 -27.4752 -8.16091 2.56182 -0.647562 2.56186 5.49696 GPRESSAVG: 929000 -22.6839 -29.8225 -1.80574 -28.0031 -8.32911 1.73485 -1.02942 6.80633 5.92219 TIMING: 929000 CPU: 2924.25, 0.00314531/step Wall: 2924.25, 0.00314531/step, 3.55682 hours remaining, 235.949219 MB of memory in use. ENERGY: 929000 3958.4673 20344.0822 14475.7303 246.7842 -203297.9390 2538.2399 0.0000 0.0000 52179.6727 -109554.9623 299.8773 -161734.6351 -109194.4040 299.1843 31.1995 59.4969 760887.9142 -8.5987 -8.3636 PRESSURE: 929200 252.467 -314.028 32.2096 -314.027 -183.257 -9.05657 32.2093 -9.05674 112.093 GPRESSURE: 929200 319.966 -324.372 40.4317 -342.793 -155.75 -39.5885 51.6485 18.8385 85.6936 PRESSAVG: 929200 -22.0916 -55.9191 -3.69662 -55.9191 -14.3921 5.64938 -3.69668 5.64941 -16.3781 GPRESSAVG: 929200 -21.6769 -57.8082 -3.23444 -54.2341 -14.9103 5.56953 -4.34235 5.52753 -16.2753 TIMING: 929200 CPU: 2924.88, 0.00316371/step Wall: 2924.88, 0.00316371/step, 3.57746 hours remaining, 235.949219 MB of memory in use. ENERGY: 929200 3987.4328 20610.0723 14466.3161 245.1908 -203348.9540 2588.6274 0.0000 0.0000 52108.1792 -109343.1354 299.4664 -161451.3146 -108976.4633 299.4212 60.4342 83.3032 761800.4562 -17.6206 -17.6208 PRESSURE: 929400 -127.305 -82.0025 -64.6749 -82.0025 416.067 152.638 -64.6761 152.638 147.321 GPRESSURE: 929400 -46.4205 -193.366 -84.2107 -105.715 333.334 61.4987 -116.865 178.699 227.179 PRESSAVG: 929400 34.0601 -21.3968 24.9692 -21.3968 -23.3044 -17.0995 24.9692 -17.0994 28.5513 GPRESSAVG: 929400 34.167 -19.3689 24.3194 -22.9629 -23.5451 -16.4714 27.1336 -19.2971 29.0154 TIMING: 929400 CPU: 2925.51, 0.00315392/step Wall: 2925.51, 0.00315392/step, 3.5662 hours remaining, 236.152344 MB of memory in use. ENERGY: 929400 3995.0015 20451.4383 14395.2558 253.9397 -203351.9271 2525.2460 0.0000 0.0000 52210.3501 -109520.6956 300.0536 -161731.0457 -109147.9577 299.8796 145.3610 171.3643 759655.1658 13.1023 13.2124 PRESSURE: 929600 17.3069 114.301 65.803 114.301 -8.31225 1.37825 65.8032 1.37733 -27.1204 GPRESSURE: 929600 99.0112 121.637 17.1256 49.4834 24.4498 80.2428 133.394 110.804 -53.9223 PRESSAVG: 929600 -37.6385 -7.73277 82.1152 -7.73274 20.3896 -6.76473 82.1152 -6.76475 33.2694 GPRESSAVG: 929600 -37.8339 -8.86861 82.2877 -5.99472 21.7914 -6.50269 80.7723 -5.58012 32.2021 TIMING: 929600 CPU: 2926.14, 0.0031308/step Wall: 2926.14, 0.0031308/step, 3.53989 hours remaining, 236.152344 MB of memory in use. ENERGY: 929600 4030.2857 20357.3358 14433.7464 242.8271 -203029.2248 2507.6017 0.0000 0.0000 52125.3010 -109332.1271 299.5648 -161457.4282 -108965.7495 299.7328 -6.0419 23.1796 760636.3555 5.3402 5.3866 PRESSURE: 929800 -167.481 -162.216 -129.553 -162.216 244.525 92.468 -129.553 92.4692 -42.8623 GPRESSURE: 929800 -29.5625 -113.699 -42.3292 -30.8235 290.572 98.8312 -59.2661 171.02 -152.143 PRESSAVG: 929800 11.8093 50.1584 52.1799 50.1585 -14.2914 9.09622 52.1799 9.09627 0.547248 GPRESSAVG: 929800 13.1664 49.4756 52.9513 51.859 -15.0836 9.78641 52.8794 8.77877 0.153002 TIMING: 929800 CPU: 2926.77, 0.00314097/step Wall: 2926.77, 0.00314097/step, 3.55121 hours remaining, 236.152344 MB of memory in use. ENERGY: 929800 4131.4448 20487.6275 14480.5476 248.1903 -203580.2628 2800.8692 0.0000 0.0000 52278.0023 -109153.5811 300.4424 -161431.5835 -108798.4744 299.8923 11.3940 36.2888 759359.4414 -0.6449 -0.5881 PRESSURE: 930000 -261.959 -46.7299 190.858 -46.7309 -17.9303 198.646 190.859 198.646 1.33625 GPRESSURE: 930000 -305.926 89.8637 266.94 51.0352 22.6826 214.211 66.258 147.579 82.6526 PRESSAVG: 930000 -10.4301 21.1398 2.34962 21.1398 50.6978 29.2723 2.34954 29.2724 10.5967 GPRESSAVG: 930000 -12.4125 23.2963 2.01867 19.3281 51.0137 27.7756 2.19897 30.7474 11.8844 TIMING: 930000 CPU: 2927.39, 0.00313794/step Wall: 2927.39, 0.00313795/step, 3.54762 hours remaining, 236.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 930000 4029.3576 20610.9333 14387.0368 253.5661 -202988.9860 2308.7731 0.0000 0.0000 52355.7346 -109043.5845 300.8891 -161399.3190 -108687.1571 300.4795 -92.8509 -66.8638 761849.1369 16.9548 16.8285 PRESSURE: 930200 7.75394 -44.4587 139.88 -44.4584 107.363 60.9741 139.88 60.9738 91.9721 GPRESSURE: 930200 -5.02875 -60.6437 186.217 -21.0257 154.638 57.2174 212.132 55.5653 127.216 PRESSAVG: 930200 -20.2337 -2.3002 36.2956 -2.30019 16.5296 22.0359 36.2956 22.0359 -32.4826 GPRESSAVG: 930200 -19.2391 -2.85661 36.2523 -2.2242 16.7919 20.8747 36.9841 20.9367 -33.501 TIMING: 930200 CPU: 2928.02, 0.00313377/step Wall: 2928.02, 0.00313377/step, 3.54273 hours remaining, 236.152344 MB of memory in use. ENERGY: 930200 3972.4341 20593.3544 14384.8429 235.5323 -203532.1753 2908.9246 0.0000 0.0000 52279.4832 -109157.6037 300.4509 -161437.0869 -108805.5772 299.9727 69.0297 92.2749 761449.6365 -12.0623 -11.9827 PRESSURE: 930400 135.27 0.17435 -302.559 0.174141 -37.8497 18.0377 -302.559 18.0391 364.557 GPRESSURE: 930400 248.893 -15.5638 -250.078 73.3979 -41.3349 79.4384 -306.803 -91.6382 347.112 PRESSAVG: 930400 -8.15084 -11.4245 20.4535 -11.4245 5.09778 -28.1402 20.4535 -28.1401 -6.85171 GPRESSAVG: 930400 -7.02711 -13.3139 20.5654 -10.1901 4.5734 -27.0111 19.9391 -26.9531 -7.32825 TIMING: 930400 CPU: 2928.65, 0.00315292/step Wall: 2928.65, 0.00315292/step, 3.5642 hours remaining, 236.152344 MB of memory in use. ENERGY: 930400 3977.9675 20527.3847 14383.3491 262.0326 -203374.1027 2604.3719 0.0000 0.0000 52353.0146 -109265.9824 300.8735 -161618.9969 -108907.5819 299.7973 153.9925 184.8900 760031.6707 -3.3016 -3.2607 PRESSURE: 930600 -180.224 -26.6954 17.7239 -26.6953 187.693 -260.05 17.724 -260.052 4.53093 GPRESSURE: 930600 -114.133 182.706 3.12169 3.81368 167.853 -224.149 98.1456 -270.789 19.8007 PRESSAVG: 930600 -10.3796 8.91906 -1.71345 8.91911 -20.2645 21.9878 -1.71345 21.9879 20.9908 GPRESSAVG: 930600 -11.8765 9.729 -1.10672 9.04893 -19.3804 23.1584 -2.31909 20.3283 21.4356 TIMING: 930600 CPU: 2929.28, 0.00314872/step Wall: 2929.28, 0.00314872/step, 3.55928 hours remaining, 236.152344 MB of memory in use. ENERGY: 930600 3999.7819 20610.5439 14491.6660 249.9997 -203360.1219 2575.7712 0.0000 0.0000 52084.2749 -109348.0844 299.3290 -161432.3592 -108983.5586 299.5944 4.0000 24.5069 760509.5198 -3.2178 -3.2737 PRESSURE: 930800 179.965 -79.0418 106.851 -79.0417 99.1444 140.892 106.852 140.892 -7.62115 GPRESSURE: 930800 102.602 -53.1065 136.279 -130.202 247.936 145.476 186.253 113.091 20.4465 PRESSAVG: 930800 -18.4433 11.2921 -46.2608 11.2921 -6.13069 -7.76274 -46.2608 -7.76284 15.5295 GPRESSAVG: 930800 -18.7671 11.7903 -47.1415 9.68993 -6.96282 -8.125 -44.0016 -8.49479 16.344 TIMING: 930800 CPU: 2929.91, 0.00314086/step Wall: 2929.91, 0.00314086/step, 3.55022 hours remaining, 236.140625 MB of memory in use. ENERGY: 930800 4005.3779 20660.6285 14451.1404 255.4691 -203062.7697 2395.9409 0.0000 0.0000 52124.3687 -109169.8441 299.5595 -161294.2128 -108818.6659 299.7003 90.4960 123.6617 761786.8945 -3.0148 -3.1286 PRESSURE: 931000 -158.184 -132.434 147.546 -132.435 137.276 -27.4646 147.546 -27.4647 255.947 GPRESSURE: 931000 -98.9139 -108.415 195.178 -117.137 226.768 42.2358 152.297 -105.161 201.29 PRESSAVG: 931000 -48.828 -4.30744 -47.751 -4.3075 -7.09344 -5.22387 -47.751 -5.22388 1.0757 GPRESSAVG: 931000 -48.6673 -3.36494 -46.9794 -3.68886 -7.0826 -7.66538 -48.6563 -4.23736 0.863795 TIMING: 931000 CPU: 2930.54, 0.00315584/step Wall: 2930.54, 0.00315585/step, 3.56698 hours remaining, 236.140625 MB of memory in use. ENERGY: 931000 4050.0183 20561.1450 14443.2957 250.4016 -203675.3935 2837.7746 0.0000 0.0000 52316.0101 -109216.7482 300.6608 -161532.7584 -108862.6498 299.9486 78.3463 109.7148 760250.3532 -18.2819 -18.2954 PRESSURE: 931200 460.299 54.6022 -185.031 54.602 -28.3203 145.918 -185.031 145.918 190.539 GPRESSURE: 931200 566.437 82.7499 -140.338 -76.4306 -24.9593 230.27 -312.916 0.911539 150.063 PRESSAVG: 931200 -40.4743 -36.8437 -2.30705 -36.8437 42.0902 -45.4592 -2.30704 -45.4592 1.80991 GPRESSAVG: 931200 -39.5082 -38.1905 -2.23774 -38.2904 41.5128 -44.5097 -4.52775 -46.4382 0.962516 TIMING: 931200 CPU: 2931.17, 0.00314449/step Wall: 2931.17, 0.00314449/step, 3.55397 hours remaining, 236.152344 MB of memory in use. ENERGY: 931200 3991.6392 20541.9771 14399.9511 255.2356 -203388.8411 2793.6117 0.0000 0.0000 52298.4473 -109107.9789 300.5599 -161406.4262 -108747.9248 300.0748 207.5059 230.5135 762044.2337 1.1419 0.9890 PRESSURE: 931400 -256.222 67.8359 -117.746 67.835 28.3625 -89.2909 -117.746 -89.2914 -330.518 GPRESSURE: 931400 -236.45 29.1705 -166.434 63.8536 9.4567 -62.1452 -160.553 -153.717 -243.417 PRESSAVG: 931400 56.8078 -44.5812 -32.9173 -44.5811 -5.91693 11.3307 -32.9173 11.3308 -5.86752 GPRESSAVG: 931400 55.5596 -42.8704 -34.6727 -44.523 -5.40142 11.4376 -29.8039 12.194 -5.28804 TIMING: 931400 CPU: 2931.8, 0.00315762/step Wall: 2931.8, 0.00315762/step, 3.56864 hours remaining, 236.152344 MB of memory in use. ENERGY: 931400 4012.3385 20612.2144 14488.5555 255.3823 -203306.5498 2481.6173 0.0000 0.0000 52458.3185 -108998.1233 301.4787 -161456.4417 -108644.4785 300.6385 -186.1256 -156.8034 760720.9089 15.0078 14.9567 PRESSURE: 931600 -199.383 13.2287 116.255 13.2286 -225.033 188.039 116.255 188.039 -139.874 GPRESSURE: 931600 -203.123 -101.96 64.6936 3.57407 -153.174 194.638 150.895 91.5439 -139.361 PRESSAVG: 931600 -18.463 -48.5126 -22.4258 -48.5126 -2.27819 -36.693 -22.4258 -36.693 22.8814 GPRESSAVG: 931600 -18.4178 -47.6017 -20.5157 -47.9282 -2.15314 -36.8803 -23.4032 -35.2148 22.7371 TIMING: 931600 CPU: 2932.43, 0.00314933/step Wall: 2932.43, 0.00314933/step, 3.55909 hours remaining, 236.152344 MB of memory in use. ENERGY: 931600 4037.4855 20654.3450 14440.1329 245.9568 -202850.2250 2307.0961 0.0000 0.0000 51996.5063 -109168.7024 298.8246 -161165.2087 -108801.2681 299.9309 -188.0967 -165.2192 761933.6255 0.7134 0.7220 PRESSURE: 931800 268.616 -82.1801 -71.6929 -82.1807 333.791 -51.7807 -71.6932 -51.7815 -216.843 GPRESSURE: 931800 421.487 -201.065 -49.3857 -206.866 257.074 -2.38057 -13.8406 98.7724 -222.788 PRESSAVG: 931800 -27.152 -15.1001 -26.7547 -15.1001 -51.2576 -40.3268 -26.7547 -40.3268 -20.7279 GPRESSAVG: 931800 -26.9502 -15.4503 -28.4848 -14.7367 -51.3565 -39.8738 -25.4538 -40.9224 -20.6406 TIMING: 931800 CPU: 2933.06, 0.00315267/step Wall: 2933.06, 0.00315267/step, 3.56269 hours remaining, 236.152344 MB of memory in use. ENERGY: 931800 3946.8958 20788.1305 14458.8385 250.2604 -203064.3649 2447.3456 0.0000 0.0000 52109.0662 -109063.8278 299.4715 -161172.8940 -108688.5281 300.5825 128.5214 151.9245 761033.7031 -33.0458 -32.9824 PRESSURE: 932000 -13.1928 -53.405 -41.4618 -53.4052 -361.95 -36.0521 -41.4618 -36.0523 62.6331 GPRESSURE: 932000 92.661 -139.288 -75.5291 -88.1905 -387.267 -5.44093 -57.3224 -80.7946 56.8895 PRESSAVG: 932000 29.2563 -38.6802 -4.56995 -38.6802 50.5852 52.0363 -4.56994 52.0362 -5.99114 GPRESSAVG: 932000 29.6665 -38.2591 -3.8372 -40.0408 49.9068 51.8352 -5.46908 51.528 -5.46785 TIMING: 932000 CPU: 2933.69, 0.00313905/step Wall: 2933.69, 0.00313905/step, 3.54713 hours remaining, 236.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 932000 4030.5655 20460.0832 14509.3063 234.4152 -202952.1372 2181.8768 0.0000 0.0000 52424.1448 -109111.7453 301.2823 -161535.8902 -108759.5099 300.7035 -104.1701 -79.2387 759976.3353 24.6168 24.7018 PRESSURE: 932200 308.606 -56.4588 45.0677 -56.4588 -7.02227 51.935 45.0674 51.9349 699.05 GPRESSURE: 932200 310.323 -10.4519 30.5585 18.9683 109.732 56.6743 12.6276 -77.5793 685.921 PRESSAVG: 932200 3.63754 -43.3451 -11.8825 -43.345 -8.98596 17.922 -11.8825 17.9222 14.2878 GPRESSAVG: 932200 2.77231 -42.1007 -13.6805 -42.2285 -8.39844 17.9959 -11.2689 17.8656 14.5846 TIMING: 932200 CPU: 2934.32, 0.00313061/step Wall: 2934.32, 0.00313061/step, 3.53742 hours remaining, 236.152344 MB of memory in use. ENERGY: 932200 3903.6191 20565.4398 14530.6731 254.4149 -203639.8305 3136.2910 0.0000 0.0000 52243.1941 -109006.1984 300.2424 -161249.3926 -108635.3567 300.2075 333.5445 368.6585 760137.6859 2.9798 2.9861 LDB: ============= START OF LOAD BALANCING ============== 2946.71 LDB: ============== END OF LOAD BALANCING =============== 2946.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2946.71 LDB: ============= START OF LOAD BALANCING ============== 2947.03 LDB: Largest compute 7077 load 0.033891 is 17.3% of average load 0.195923 LDB: Average compute 0.004383 is 2.2% of average load 0.195923 LDB: TIME 2947.03 LOAD: AVG 0.195923 MAX 0.21505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.68 MB LDB: TIME 2947.03 LOAD: AVG 0.195923 MAX 0.21505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.719 MB LDB: TIME 2947.03 LOAD: AVG 0.195923 MAX 0.21505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.719 MB LDB: ============== END OF LOAD BALANCING =============== 2947.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2947.04 PRESSURE: 932400 -196.831 -164.929 -81.19 -164.929 -103.176 179.129 -81.191 179.128 51.6215 GPRESSURE: 932400 -86.6348 -44.0333 -120.141 -204.949 -45.8336 127.257 -47.3889 241.284 -8.90096 PRESSAVG: 932400 -49.4102 -106.783 11.9996 -106.783 21.9343 0.562246 11.9996 0.562249 10.6125 GPRESSAVG: 932400 -47.9117 -108.497 12.4126 -105.29 21.162 -0.0594229 10.3003 1.47876 9.73223 TIMING: 932400 CPU: 2934.95, 0.00319177/step Wall: 2934.95, 0.00319177/step, 3.60635 hours remaining, 237.507812 MB of memory in use. ENERGY: 932400 4037.9542 20481.9359 14529.3466 252.2510 -202932.0791 2398.8109 0.0000 0.0000 52198.5850 -109033.1955 299.9860 -161231.7806 -108669.8854 300.3440 -82.7950 -47.1231 761368.0342 -5.6211 -5.6725 PRESSURE: 932600 50.6352 -25.3671 -131.285 -25.3671 -73.9689 145.747 -131.285 145.746 36.8851 GPRESSURE: 932600 142.147 37.2681 -58.5858 -83.1667 -64.8105 157.582 -29.0003 -14.706 24.0939 PRESSAVG: 932600 37.4422 -41.7867 -23.0542 -41.7867 -14.2618 38.6144 -23.0542 38.6144 -0.749761 GPRESSAVG: 932600 37.6942 -40.9021 -22.618 -43.4925 -14.3904 38.5698 -22.9414 35.8259 -0.600886 TIMING: 932600 CPU: 2935.58, 0.00314822/step Wall: 2935.58, 0.00314822/step, 3.55697 hours remaining, 237.578125 MB of memory in use. ENERGY: 932600 4015.7519 20714.7901 14459.6544 254.2284 -203237.2414 2616.0929 0.0000 0.0000 52126.8911 -109049.8327 299.5740 -161176.7239 -108685.4057 300.5565 4.5171 33.8100 762119.3614 7.4769 7.5676 PRESSURE: 932800 -116.78 -75.0374 -170.562 -75.0363 178.383 79.5696 -170.562 79.5683 -202.238 GPRESSURE: 932800 -83.2864 -59.4297 -171.831 -39.9911 208.953 76.8236 -12.4472 18.3997 -187.691 PRESSAVG: 932800 -49.0229 23.7109 -27.2414 23.7108 16.6664 31.0824 -27.2414 31.0824 -11.9671 GPRESSAVG: 932800 -49.9873 22.0678 -27.4504 26.5825 17.3587 29.8512 -26.0959 33.3441 -12.5249 TIMING: 932800 CPU: 2936.21, 0.00312574/step Wall: 2936.21, 0.00312574/step, 3.5314 hours remaining, 237.578125 MB of memory in use. ENERGY: 932800 3947.2527 20667.3769 14471.3529 247.8034 -203292.5365 2715.9378 0.0000 0.0000 52158.0400 -109084.7728 299.7530 -161242.8128 -108713.8474 300.0799 -46.8780 -20.6749 761230.7508 -14.7745 -15.0511 PRESSURE: 933000 425.402 -160.933 -194.42 -160.933 433.871 -389.415 -194.42 -389.416 124.757 GPRESSURE: 933000 420.714 -141.004 -100.342 -208.349 507.48 -383.615 -274.548 -414.991 129.03 PRESSAVG: 933000 3.16439 7.99155 0.873211 7.99149 45.909 -31.3354 0.873226 -31.3354 20.4905 GPRESSAVG: 933000 1.55997 9.82589 1.30852 5.87208 45.5483 -29.6725 0.0419312 -32.3064 21.8465 TIMING: 933000 CPU: 2936.83, 0.00311001/step Wall: 2936.83, 0.00311001/step, 3.51345 hours remaining, 237.578125 MB of memory in use. ENERGY: 933000 3962.9927 20490.5155 14540.9095 248.2970 -203535.4492 2890.6145 0.0000 0.0000 52203.6268 -109198.4931 300.0150 -161402.1199 -108834.4429 300.0913 328.0100 352.4081 761174.4412 23.1880 22.9849 PRESSURE: 933200 -455.021 68.6054 113.947 68.6052 -139.11 -24.1589 113.947 -24.1598 -82.8068 GPRESSURE: 933200 -341.133 125.785 50.0319 47.3773 -163.639 23.573 193.384 -215.595 -77.8516 PRESSAVG: 933200 -7.23356 -4.92792 20.2456 -4.92786 -9.59205 29.2943 20.2455 29.2943 -7.30471 GPRESSAVG: 933200 -5.15665 -4.87906 20.3266 -4.80401 -10.4891 29.8863 21.6771 29.3249 -8.28871 TIMING: 933200 CPU: 2937.46, 0.0031241/step Wall: 2937.46, 0.0031241/step, 3.52919 hours remaining, 237.578125 MB of memory in use. ENERGY: 933200 4033.1847 20542.9798 14457.8158 248.9591 -203229.6772 2484.8235 0.0000 0.0000 52249.7891 -109212.1253 300.2803 -161461.9143 -108849.6879 299.5558 -225.6458 -194.2081 762180.5197 -8.0434 -7.9782 PRESSURE: 933400 61.6211 -15.0135 56.7166 -15.0129 206.766 58.2284 56.7181 58.2281 -425.254 GPRESSURE: 933400 52.0736 -71.6906 133.201 -48.258 205.136 40.3392 -22.3 100.408 -347.096 PRESSAVG: 933400 -30.7279 -19.3504 10.4579 -19.3504 26.7872 13.2044 10.458 13.2044 -2.97592 GPRESSAVG: 933400 -30.9155 -20.5373 10.2774 -19.63 27.6882 12.8571 8.06981 13.4204 -3.52077 TIMING: 933400 CPU: 2938.08, 0.00313726/step Wall: 2938.08, 0.00313726/step, 3.54389 hours remaining, 237.578125 MB of memory in use. ENERGY: 933400 3899.0514 20639.0307 14534.5689 253.7127 -203142.0730 2434.5173 0.0000 0.0000 52016.8031 -109364.3888 298.9413 -161381.1919 -109005.1692 299.4964 -52.2888 -29.9620 761636.2292 -2.3056 -2.2494 PRESSURE: 933600 -175.553 61.4339 -29.2697 61.4323 -349.459 -353.061 -29.2687 -353.062 65.2076 GPRESSURE: 933600 -255.696 31.1239 47.2897 -33.9206 -228.254 -368.197 -50.6443 -202.722 119.947 PRESSAVG: 933600 -13.9267 6.03898 -16.3044 6.03898 50.028 5.339 -16.3044 5.33906 -5.78329 GPRESSAVG: 933600 -14.4134 6.35672 -16.5862 5.09697 50.2489 4.46306 -16.2648 5.37734 -5.43913 TIMING: 933600 CPU: 2938.71, 0.00312394/step Wall: 2938.71, 0.00312395/step, 3.52867 hours remaining, 237.578125 MB of memory in use. ENERGY: 933600 3989.2061 20602.2345 14531.1496 243.9191 -203023.6572 2219.6930 0.0000 0.0000 52137.5541 -109299.9009 299.6352 -161437.4550 -108930.0359 299.4199 -153.2681 -121.3344 761309.8361 10.1060 10.1321 PRESSURE: 933800 283.441 -70.008 -19.2624 -70.0081 50.1494 382.671 -19.2619 382.672 70.8017 GPRESSURE: 933800 259.105 -64.184 7.84007 3.26071 110.264 351.716 -153.485 184.371 120.768 PRESSAVG: 933800 -3.48765 -5.58788 -34.6036 -5.58788 21.4934 34.7031 -34.6036 34.703 -1.61655 GPRESSAVG: 933800 -4.20132 -6.74339 -33.6344 -5.85981 21.8368 34.7242 -33.8521 36.4861 -1.39674 TIMING: 933800 CPU: 2939.34, 0.00314218/step Wall: 2939.34, 0.00314218/step, 3.5491 hours remaining, 237.578125 MB of memory in use. ENERGY: 933800 4017.2186 20502.2082 14520.5875 239.7014 -203159.1110 2739.6684 0.0000 0.0000 51973.5927 -109166.1342 298.6930 -161139.7270 -108809.8706 299.5905 134.7972 163.3791 761115.6720 5.4631 5.4129 PRESSURE: 934000 -309.522 23.6062 221.935 23.6058 -350.765 -180.182 221.934 -180.181 -175.242 GPRESSURE: 934000 -243.393 94.4198 267.019 -124.115 -332.273 -180.123 212.214 -228.234 -180.159 PRESSAVG: 934000 -22.3389 -34.3457 -15.5243 -34.3457 15.1133 11.6605 -15.5244 11.6604 1.47792 GPRESSAVG: 934000 -20.6987 -33.0217 -15.3923 -33.9203 14.2132 11.7136 -15.2241 8.40024 1.26782 TIMING: 934000 CPU: 2939.97, 0.00314624/step Wall: 2939.97, 0.00314624/step, 3.55351 hours remaining, 237.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 934000 4058.7051 20444.6520 14503.1344 239.3587 -203082.1234 2480.1017 0.0000 0.0000 52237.3460 -109118.8253 300.2087 -161356.1713 -108760.5894 300.0792 -278.5098 -251.9418 760781.5013 -1.9159 -1.7392 PRESSURE: 934200 -265.873 218.389 -10.0292 218.389 116.357 132.159 -10.0296 132.159 -156.331 GPRESSURE: 934200 -141.101 46.2329 -51.0401 249.364 32.6683 105.738 38.0687 172.509 -116.068 PRESSAVG: 934200 -31.7083 -59.243 -7.77621 -59.2429 21.0213 71.7234 -7.77623 71.7233 16.8644 GPRESSAVG: 934200 -32.592 -59.4856 -7.54514 -59.0073 20.6669 71.428 -7.41518 74.2518 17.7983 TIMING: 934200 CPU: 2940.6, 0.00315128/step Wall: 2940.6, 0.00315129/step, 3.55903 hours remaining, 237.578125 MB of memory in use. ENERGY: 934200 3910.8957 20476.5275 14496.8677 241.6078 -202799.8080 2313.3800 0.0000 0.0000 52152.9724 -109207.5569 299.7238 -161360.5293 -108844.0612 299.5781 -101.9489 -74.8338 760940.2729 2.0591 1.9577 PRESSURE: 934400 -190.959 -301.348 71.8419 -301.348 -178.243 226.607 71.8425 226.607 -127.391 GPRESSURE: 934400 -127.355 -285.176 55.7543 -305.647 -116.73 191.207 100.308 274.393 -160.735 PRESSAVG: 934400 -36.083 -50.7505 53.9829 -50.7504 -0.723712 24.9575 53.9829 24.9575 0.69719 GPRESSAVG: 934400 -36.9845 -50.9327 53.4029 -51.5435 -0.115364 25.0135 54.3788 22.3049 0.31104 TIMING: 934400 CPU: 2941.23, 0.00316225/step Wall: 2941.23, 0.00316224/step, 3.57123 hours remaining, 237.578125 MB of memory in use. ENERGY: 934400 4005.4291 20732.8693 14498.5836 213.7520 -202555.3196 2081.2247 0.0000 0.0000 51953.7708 -109069.6902 298.5790 -161023.4610 -108719.2655 299.2708 -165.5310 -134.9402 760384.1211 -12.0365 -12.2629 PRESSURE: 934600 63.1228 -91.1629 26.2819 -91.1619 192.669 29.3175 26.2819 29.317 193.544 GPRESSURE: 934600 185.964 -70.6395 -16.9807 -43.9947 129.486 36.3975 68.1424 30.0495 210.107 PRESSAVG: 934600 26.956 -35.2051 9.01484 -35.2051 -23.7683 34.7351 9.01483 34.7351 6.51683 GPRESSAVG: 934600 27.9861 -34.8557 8.5846 -33.3988 -24.6162 35.0509 7.86137 36.6022 6.63226 TIMING: 934600 CPU: 2941.86, 0.00314923/step Wall: 2941.86, 0.00314923/step, 3.55635 hours remaining, 237.578125 MB of memory in use. ENERGY: 934600 4013.6967 20468.7119 14540.3046 235.4048 -203070.6747 2636.3532 0.0000 0.0000 52112.5304 -109063.6731 299.4914 -161176.2035 -108696.4545 300.3747 149.7787 175.1855 760553.5545 3.2349 3.3341 PRESSURE: 934800 25.783 136.996 -175.568 136.995 -176.427 -87.2252 -175.569 -87.2239 71.0399 GPRESSURE: 934800 9.20085 133.036 -165.519 89.4512 -109.643 -22.4143 -0.363895 -196.641 91.7256 PRESSAVG: 934800 -10.1878 -37.6678 21.6129 -37.6678 23.479 25.4132 21.6129 25.4132 -10.5838 GPRESSAVG: 934800 -11.4784 -37.909 22.4623 -37.8929 25.6609 23.57 22.4334 25.0695 -11.7619 TIMING: 934800 CPU: 2942.49, 0.00314102/step Wall: 2942.49, 0.00314102/step, 3.5469 hours remaining, 237.578125 MB of memory in use. ENERGY: 934800 3996.8927 20577.8187 14422.3167 242.4040 -203161.0964 2420.1820 0.0000 0.0000 52234.1271 -109267.3553 300.1902 -161501.4824 -108900.1956 299.7630 -26.5348 -2.9056 761309.4334 0.9025 0.8069 PRESSURE: 935000 -82.1771 -19.3342 -81.5408 -19.3339 93.4166 89.0569 -81.5415 89.057 -85.7031 GPRESSURE: 935000 -6.10238 -95.453 -41.3894 108.537 99.9436 43.7936 -128.218 188.049 -70.9647 PRESSAVG: 935000 -20.052 -9.90364 22.9339 -9.90365 64.2653 30.8323 22.9339 30.8324 -1.27802 GPRESSAVG: 935000 -19.1546 -8.13536 21.8386 -10.7023 62.1394 33.5251 22.2356 32.3267 -0.132663 TIMING: 935000 CPU: 2943.11, 0.0031326/step Wall: 2943.11, 0.0031326/step, 3.53722 hours remaining, 237.578125 MB of memory in use. ENERGY: 935000 3987.3636 20695.0429 14490.3335 255.9146 -202872.1893 2434.9295 0.0000 0.0000 51915.3053 -109093.2999 298.3580 -161008.6052 -108727.1351 300.1211 -24.8212 7.6255 762038.0682 14.3118 14.2841 PRESSURE: 935200 -19.2693 41.2129 -88.5583 41.213 -10.7379 -26.9394 -88.5585 -26.9382 122.513 GPRESSURE: 935200 67.3093 92.6073 -176.181 18.3568 36.6477 -18.2928 39.2192 40.8743 87.2179 PRESSAVG: 935200 -15.1342 -8.17051 -40.6925 -8.1705 36.271 -3.666 -40.6925 -3.66601 13.703 GPRESSAVG: 935200 -17.0115 -10.6631 -40.002 -6.86183 37.0927 -3.42972 -40.6841 -5.44569 14.1725 TIMING: 935200 CPU: 2943.74, 0.00315407/step Wall: 2943.74, 0.00315407/step, 3.56129 hours remaining, 237.578125 MB of memory in use. ENERGY: 935200 3956.4619 20482.2299 14538.4667 253.3810 -203106.8880 2614.9303 0.0000 0.0000 52157.2757 -109104.1425 299.7486 -161261.4182 -108745.9023 299.9357 30.8353 63.7249 762391.2193 11.6133 11.4179 PRESSURE: 935400 -252.296 -129.353 100.609 -129.352 1.78305 -2.3787 100.608 -2.37783 -536.064 GPRESSURE: 935400 -195.55 -154.675 50.9867 -3.75342 19.0488 86.5319 120.987 -30.5973 -525.834 PRESSAVG: 935400 -12.1224 -5.67642 10.1315 -5.67641 19.4594 -6.47288 10.1314 -6.47283 -4.29911 GPRESSAVG: 935400 -11.1131 -5.16664 9.19378 -6.82528 19.1944 -7.14041 12.8737 -4.99562 -5.22097 TIMING: 935400 CPU: 2944.37, 0.00313961/step Wall: 2944.37, 0.00313961/step, 3.54479 hours remaining, 237.578125 MB of memory in use. ENERGY: 935400 4019.2583 20595.1718 14414.7564 252.6597 -203348.1185 2439.8404 0.0000 0.0000 52343.7477 -109282.6843 300.8202 -161626.4319 -108915.7788 299.3143 -262.1926 -234.1117 762092.2848 1.0126 0.9535 PRESSURE: 935600 514.203 -143.485 41.9819 -143.485 -187.944 156.146 41.9827 156.146 293.274 GPRESSURE: 935600 418.275 -122.2 100.395 -94.3518 -10.8301 90.1361 115.076 219.475 293.435 PRESSAVG: 935600 56.0613 9.50181 33.9984 9.50181 -26.7498 13.9105 33.9984 13.9106 2.9601 GPRESSAVG: 935600 56.3143 9.17726 33.146 9.5297 -27.728 14.4486 33.2568 14.031 4.08026 TIMING: 935600 CPU: 2945, 0.0031573/step Wall: 2945, 0.0031573/step, 3.5646 hours remaining, 237.578125 MB of memory in use. ENERGY: 935600 3969.3647 20611.5213 14442.1815 237.9014 -203398.2673 2513.6834 0.0000 0.0000 52112.8370 -109510.7781 299.4932 -161623.6151 -109143.8313 299.4253 206.5110 233.6268 761645.9272 10.7572 10.8889 PRESSURE: 935800 -373.402 -32.3022 -18.2228 -32.3024 -25.4764 53.1083 -18.2229 53.1088 -298.128 GPRESSURE: 935800 -297.74 9.59604 35.1595 -114.464 -57.872 39.5112 -140.171 73.7029 -241.345 PRESSAVG: 935800 39.7691 -31.7572 52.7115 -31.7572 -88.1131 44.4881 52.7115 44.4881 -15.1536 GPRESSAVG: 935800 41.1775 -32.7604 52.6154 -31.3113 -87.6181 42.8567 50.6099 46.3844 -16.2883 TIMING: 935800 CPU: 2945.63, 0.00315857/step Wall: 2945.63, 0.00315857/step, 3.56585 hours remaining, 237.578125 MB of memory in use. ENERGY: 935800 3938.8517 20529.7098 14465.2795 242.0484 -203677.8662 2747.3698 0.0000 0.0000 52294.1015 -109460.5055 300.5349 -161754.6070 -109094.6276 298.9044 -232.3352 -198.9856 762423.8422 -21.1659 -20.9097 PRESSURE: 936000 -523.986 -17.9449 84.2073 -17.9442 153.983 -177.566 84.2073 -177.565 -287.166 GPRESSURE: 936000 -490.566 -63.9487 22.4203 0.329478 90.6798 -166.023 -55.7573 -257.214 -154.745 PRESSAVG: 936000 -93.4387 -8.4006 24.3318 -8.40063 -4.75389 17.8321 24.3318 17.8321 18.5819 GPRESSAVG: 936000 -92.6583 -7.5815 24.7913 -8.77018 -7.19076 18.9937 23.1803 15.8937 20.7439 TIMING: 936000 CPU: 2946.26, 0.0031463/step Wall: 2946.26, 0.0031463/step, 3.55182 hours remaining, 237.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 936000 3991.0093 20418.1781 14497.8738 247.7035 -202961.4314 2306.1619 0.0000 0.0000 52123.1007 -109377.4041 299.5522 -161500.5048 -109021.5063 298.8115 -219.0564 -184.8771 762981.4361 -26.5369 -26.3684 PRESSURE: 936200 -89.5593 36.1443 123.132 36.1444 -296.449 34.8619 123.133 34.8624 51.1698 GPRESSURE: 936200 -149.419 -32.8506 70.5266 61.2501 -71.2054 21.1627 92.4603 37.7738 -26.7887 PRESSAVG: 936200 -6.50602 -2.09227 37.9159 -2.09229 4.85633 -7.00708 37.9159 -7.00706 -14.2945 GPRESSAVG: 936200 -8.71866 -1.23319 37.3614 -1.38673 7.77249 -6.71998 39.9711 -7.44657 -15.4696 TIMING: 936200 CPU: 2946.9, 0.00316116/step Wall: 2946.9, 0.00316116/step, 3.56842 hours remaining, 237.578125 MB of memory in use. ENERGY: 936200 3978.9512 20371.6536 14471.5577 239.7144 -203134.4331 2567.2770 0.0000 0.0000 51914.7565 -109590.5227 298.3548 -161505.2792 -109223.7885 298.9440 -111.6129 -82.4710 762466.1438 -5.3147 -5.4719 LDB: ============= START OF LOAD BALANCING ============== 2959.29 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2959.29 LDB: =============== DONE WITH MIGRATION ================ 2959.3 LDB: ============= START OF LOAD BALANCING ============== 2959.61 LDB: Largest compute 7035 load 0.032847 is 16.8% of average load 0.195776 LDB: Average compute 0.004357 is 2.2% of average load 0.195776 LDB: TIME 2959.62 LOAD: AVG 0.195776 MAX 0.216337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.219 MB LDB: TIME 2959.62 LOAD: AVG 0.195776 MAX 0.216337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: TIME 2959.62 LOAD: AVG 0.195776 MAX 0.216337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2959.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2959.62 PRESSURE: 936400 288.743 -101.003 -141.159 -101.003 1.59107 235.15 -141.159 235.149 -56.8573 GPRESSURE: 936400 314.426 -93.1483 -224.892 -261.808 84.5062 186.866 -67.2965 248.191 -70.1758 PRESSAVG: 936400 -15.8779 -45.2147 -17.2074 -45.2148 -12.3041 16.4174 -17.2073 16.4174 13.796 GPRESSAVG: 936400 -14.4643 -45.7547 -17.6593 -46.6793 -12.8668 15.4406 -16.4934 18.6842 12.7633 TIMING: 936400 CPU: 2947.54, 0.00322299/step Wall: 2947.54, 0.00322299/step, 3.63804 hours remaining, 235.945312 MB of memory in use. ENERGY: 936400 3994.3117 20397.7294 14408.3239 245.7464 -203393.4069 2552.7413 0.0000 0.0000 52405.0835 -109389.4707 301.1727 -161794.5542 -109027.5673 299.2907 77.8256 109.5854 760438.0806 -4.7953 -4.8559 PRESSURE: 936600 157.111 -149.222 -19.595 -149.222 -31.9059 -94.2823 -19.5949 -94.283 6.78257 GPRESSURE: 936600 195.743 -22.4231 -52.3556 -140.401 -41.8057 -196.542 1.9242 -136.993 55.103 PRESSAVG: 936600 -16.4322 -26.1752 -11.9406 -26.1752 -6.6705 -9.48314 -11.9406 -9.48321 -27.9255 GPRESSAVG: 936600 -16.6357 -24.945 -10.5407 -26.6776 -7.15368 -10.0439 -12.228 -11.3848 -26.9077 TIMING: 936600 CPU: 2948.17, 0.00315555/step Wall: 2948.17, 0.00315555/step, 3.56174 hours remaining, 235.988281 MB of memory in use. ENERGY: 936600 3958.5279 20587.1652 14490.6151 255.7302 -203537.7368 2653.4837 0.0000 0.0000 52200.2262 -109391.9885 299.9954 -161592.2147 -109031.0599 299.3786 43.9959 69.6801 761027.1039 -17.0094 -16.8990 PRESSURE: 936800 131.019 -24.8143 -82.2172 -24.8139 -31.1578 243.004 -82.2182 243.005 453.548 GPRESSURE: 936800 171.122 -22.2555 -78.953 -102.253 66.6642 296.346 30.8717 164.972 386.537 PRESSAVG: 936800 -4.73105 -55.9679 -24.0329 -55.9679 14.9997 14.6825 -24.0329 14.6825 -13.6215 GPRESSAVG: 936800 -4.44502 -57.4526 -24.0937 -52.7118 15.9403 16.9502 -24.0985 13.9757 -14.2835 TIMING: 936800 CPU: 2948.8, 0.00314912/step Wall: 2948.8, 0.00314912/step, 3.5543 hours remaining, 235.988281 MB of memory in use. ENERGY: 936800 4005.5664 20483.7085 14328.0930 244.4177 -202964.5068 2567.2539 0.0000 0.0000 52186.3016 -109149.1658 299.9154 -161335.4673 -108779.9138 299.6407 184.4700 208.1079 761505.6779 -1.1176 -0.9294 PRESSURE: 937000 -76.0711 38.5041 29.9006 38.5042 49.9654 -21.6377 29.8996 -21.6379 -174.169 GPRESSURE: 937000 -59.4691 -27.3875 106.964 18.4484 135.233 -39.0631 31.9391 60.86 -182.111 PRESSAVG: 937000 -23.08 -63.4308 -11.4814 -63.4308 29.7863 32.1138 -11.4814 32.1138 6.24321 GPRESSAVG: 937000 -22.652 -61.7444 -8.06079 -65.9128 30.1259 33.4585 -14.0386 32.6853 5.24726 TIMING: 937000 CPU: 2949.43, 0.00315974/step Wall: 2949.43, 0.00315974/step, 3.56612 hours remaining, 235.988281 MB of memory in use. ENERGY: 937000 3907.5911 20432.5942 14480.0387 247.7215 -203159.3740 2588.0591 0.0000 0.0000 52041.7554 -109461.6139 299.0847 -161503.3693 -109094.7258 299.4566 -66.7584 -35.4490 762222.8573 4.3165 4.2404 PRESSURE: 937200 -10.1712 -165.193 -21.7246 -165.194 -113.86 -69.5228 -21.7247 -69.5226 -164.714 GPRESSURE: 937200 -16.9206 -133.828 -21.1223 -157.198 -21.3307 -120.258 11.7701 -44.8286 -190.503 PRESSAVG: 937200 -7.03254 -20.9948 -36.6563 -20.9948 44.6485 29.2417 -36.6563 29.2416 -16.475 GPRESSAVG: 937200 -8.05391 -22.8021 -37.284 -18.9103 44.2969 26.4257 -36.0782 29.8015 -15.0036 TIMING: 937200 CPU: 2950.06, 0.00314815/step Wall: 2950.06, 0.00314815/step, 3.55286 hours remaining, 235.988281 MB of memory in use. ENERGY: 937200 3934.6445 20503.2284 14537.6877 245.4388 -203230.4465 2671.3220 0.0000 0.0000 51865.7633 -109472.3618 298.0733 -161338.1251 -109106.8264 298.7180 -96.2484 -76.2514 762652.9728 7.0470 7.0798 PRESSURE: 937400 -737.64 -2.17092 -64.2073 -2.17093 -206.809 -80.5341 -64.2076 -80.5355 -361.833 GPRESSURE: 937400 -622.579 -43.3673 -182.805 21.0546 -258.517 -66.1343 89.9258 -27.5837 -331.639 PRESSAVG: 937400 -29.9572 -39.6721 -20.3392 -39.6721 35.2803 -12.526 -20.3392 -12.5259 11.9415 GPRESSAVG: 937400 -29.8376 -40.1874 -23.421 -39.4603 35.6507 -12.8826 -17.5148 -12.5927 10.7822 TIMING: 937400 CPU: 2950.69, 0.00313815/step Wall: 2950.69, 0.00313815/step, 3.54141 hours remaining, 235.988281 MB of memory in use. ENERGY: 937400 3996.1443 20550.3001 14503.8577 256.4209 -203137.5549 2196.7170 0.0000 0.0000 52056.5917 -109577.5231 299.1699 -161634.1149 -109210.7668 298.6971 -435.4275 -404.2450 761900.2833 5.7549 5.5318 PRESSURE: 937600 -168.134 89.3947 44.7869 89.3943 80.1102 -70.2019 44.7876 -70.2017 183.035 GPRESSURE: 937600 65.4299 34.0781 -6.30803 124.325 -0.855908 -53.7776 -32.1585 -62.071 106.944 PRESSAVG: 937600 -12.8151 -78.3598 -41.8076 -78.3598 -0.51179 14.7808 -41.8077 14.7808 -0.667213 GPRESSAVG: 937600 -10.8624 -77.4 -40.968 -79.1043 -3.32937 16.1373 -43.1205 14.7195 -0.058987 TIMING: 937600 CPU: 2951.32, 0.00314254/step Wall: 2951.32, 0.00314254/step, 3.54618 hours remaining, 235.988281 MB of memory in use. ENERGY: 937600 3959.7579 20436.4652 14489.5086 235.2124 -203209.5595 2630.3406 0.0000 0.0000 51986.7220 -109471.5528 298.7684 -161458.2748 -109106.8552 298.9896 31.6701 57.1728 761353.5541 -4.6647 -4.7503 PRESSURE: 937800 87.5994 -10.441 -130.589 -10.4408 -431.92 120.785 -130.588 120.785 -213.392 GPRESSURE: 937800 13.2707 -61.0844 -129.252 17.0867 -395.559 36.5809 -253.109 82.8749 -86.8056 PRESSAVG: 937800 26.2838 -26.5702 -11.2362 -26.5702 -39.9208 51.5557 -11.2361 51.5557 -4.52891 GPRESSAVG: 937800 24.6575 -26.5455 -11.3312 -26.7826 -37.8141 50.3925 -11.6029 52.6677 -4.6747 TIMING: 937800 CPU: 2951.95, 0.00313533/step Wall: 2951.95, 0.00313533/step, 3.53787 hours remaining, 235.988281 MB of memory in use. ENERGY: 937800 3911.0602 20755.2554 14423.8632 262.1424 -203237.8994 2392.0203 0.0000 0.0000 52064.6799 -109428.8780 299.2164 -161493.5579 -109068.9816 298.9712 -185.9045 -156.3646 761434.5972 -6.0553 -5.9438 PRESSURE: 938000 234.817 -121.284 -100.17 -121.284 6.16076 -75.0554 -100.17 -75.056 54.3073 GPRESSURE: 938000 220.761 -51.9707 -22.7211 -134.463 90.805 -114.782 -106.422 -101.257 71.4569 PRESSAVG: 938000 1.08496 -26.125 -36.3959 -26.1249 0.554913 46.729 -36.3959 46.729 -8.99497 GPRESSAVG: 938000 1.07149 -26.6001 -36.5198 -24.0975 0.617253 47.9068 -36.0513 44.0267 -8.59323 TIMING: 938000 CPU: 2952.57, 0.00313759/step Wall: 2952.57, 0.00313759/step, 3.54025 hours remaining, 235.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 938000 3972.1924 20478.7439 14438.2114 249.5040 -203328.3485 2671.2051 0.0000 0.0000 52081.6273 -109436.8644 299.3138 -161518.4917 -109068.7677 299.0924 98.4284 127.6744 760605.0809 -2.4517 -2.3015 PRESSURE: 938200 -87.4168 -21.2033 151.404 -21.2035 -153.022 -92.7713 151.403 -92.7714 194.898 GPRESSURE: 938200 -24.9612 -31.3782 180.66 -22.438 -143.121 -84.0559 70.673 30.7336 211.179 PRESSAVG: 938200 61.7649 -7.65338 24.4166 -7.65339 -61.7956 38.3916 24.4165 38.3917 -11.8622 GPRESSAVG: 938200 61.1334 -5.44099 25.5784 -9.87371 -61.7603 37.9111 21.7305 39.612 -12.1121 TIMING: 938200 CPU: 2953.2, 0.00314763/step Wall: 2953.2, 0.00314763/step, 3.5514 hours remaining, 235.988281 MB of memory in use. ENERGY: 938200 3968.0514 20462.8998 14455.6715 250.3827 -202751.3567 2462.7527 0.0000 0.0000 51844.4061 -109307.1924 297.9505 -161151.5985 -108942.2076 299.3503 -15.1802 14.3654 760624.0312 -3.9643 -4.2463 PRESSURE: 938400 124.273 107.891 94.0481 107.891 -540.423 65.4373 94.0479 65.4383 103.699 GPRESSURE: 938400 149.07 57.4497 9.60038 26.3166 -484.212 76.5299 6.2384 96.7999 103.668 PRESSAVG: 938400 16.7351 -47.4073 26.6924 -47.4073 21.8798 -37.7938 26.6924 -37.7938 11.8968 GPRESSAVG: 938400 18.1249 -48.461 25.1653 -46.4222 21.8148 -39.0707 29.2109 -36.6738 11.185 TIMING: 938400 CPU: 2953.83, 0.00314846/step Wall: 2953.83, 0.00314846/step, 3.55217 hours remaining, 235.988281 MB of memory in use. ENERGY: 938400 3933.1630 20509.5900 14411.4379 254.3947 -203003.6104 2418.8183 0.0000 0.0000 51906.5452 -109569.6614 298.3076 -161476.2066 -109218.5189 298.7623 -104.1502 -77.1578 763600.5016 16.8372 17.0416 PRESSURE: 938600 145.877 59.692 49.9342 59.6916 -194.934 35.9568 49.9344 35.9563 11.4989 GPRESSURE: 938600 60.0768 95.1542 54.3669 -124.086 -84.7145 148.475 -14.497 -21.1124 56.4303 PRESSAVG: 938600 40.6484 -2.90434 -23.5291 -2.90433 -96.037 -13.4404 -23.529 -13.4404 -1.74814 GPRESSAVG: 938600 39.9869 -3.70512 -22.409 -2.96552 -96.1076 -11.0804 -25.8642 -13.6104 -1.28873 TIMING: 938600 CPU: 2954.46, 0.00313218/step Wall: 2954.46, 0.00313218/step, 3.53362 hours remaining, 235.988281 MB of memory in use. ENERGY: 938600 3980.2577 20310.7910 14506.3798 259.6571 -203154.8996 2359.1920 0.0000 0.0000 52299.4629 -109439.1592 300.5657 -161738.6220 -109074.0690 299.0188 -12.5193 10.5975 761009.1328 -19.0456 -19.1365 PRESSURE: 938800 -11.0711 10.8616 -179.09 10.8624 0.713001 128.152 -179.09 128.152 123.933 GPRESSURE: 938800 124.437 224.413 -228.975 48.3345 -85.1181 125.123 -85.3819 180.232 145.487 PRESSAVG: 938800 37.488 -4.67539 13.6626 -4.6754 -72.7106 21.9548 13.6626 21.9549 -8.34865 GPRESSAVG: 938800 36.9562 -2.49843 14.5184 -3.29702 -72.3575 20.1672 14.1266 20.4454 -8.39172 TIMING: 938800 CPU: 2955.09, 0.00314978/step Wall: 2955.09, 0.00314978/step, 3.5533 hours remaining, 235.988281 MB of memory in use. ENERGY: 938800 3938.2406 20420.8655 14435.9564 225.2609 -203201.6102 2528.1036 0.0000 0.0000 52166.1689 -109487.0142 299.7997 -161653.1831 -109128.0984 299.0186 37.8583 61.6021 761438.5449 -14.5238 -14.5977 PRESSURE: 939000 406.575 -3.1462 -159.106 -3.14692 320.281 187.639 -159.106 187.64 72.4813 GPRESSURE: 939000 431.573 -58.9702 -109.813 35.7099 389.309 181.717 -158.524 103.122 48.3292 PRESSAVG: 939000 -7.03857 -63.3205 -3.94363 -63.3205 11.0595 3.79197 -3.94358 3.79199 15.6458 GPRESSAVG: 939000 -7.73561 -65.4239 -3.6784 -64.2019 11.3898 6.67099 -4.34232 4.63684 16.1522 TIMING: 939000 CPU: 2955.72, 0.00316658/step Wall: 2955.72, 0.00316658/step, 3.57208 hours remaining, 235.988281 MB of memory in use. ENERGY: 939000 3993.8824 20449.0649 14435.6667 250.5647 -203591.4494 2589.6792 0.0000 0.0000 52311.4212 -109561.1703 300.6345 -161872.5915 -109194.4354 298.9558 266.4456 289.7370 759714.0606 6.5556 6.6021 PRESSURE: 939200 -43.7808 50.7674 -9.4751 50.7682 -179.352 35.0066 -9.47485 35.0081 -19.4965 GPRESSURE: 939200 -38.2183 -48.6569 54.6139 9.80529 -101.761 30.1627 0.477419 22.5492 -20.9529 PRESSAVG: 939200 6.46272 -60.0612 25.1975 -60.0612 25.7459 33.5681 25.1976 33.5681 18.6952 GPRESSAVG: 939200 7.48323 -59.9144 25.034 -59.5124 25.1748 31.1355 26.4379 32.5135 17.8237 TIMING: 939200 CPU: 2956.35, 0.00315615/step Wall: 2956.35, 0.00315615/step, 3.56014 hours remaining, 235.988281 MB of memory in use. ENERGY: 939200 3999.8950 20612.0345 14518.2407 263.6330 -203375.0914 2647.7117 0.0000 0.0000 52004.4080 -109329.1685 298.8700 -161333.5765 -108976.7740 299.4568 -80.8764 -53.6440 761818.7547 16.9679 16.8272 PRESSURE: 939400 110.571 -148.696 169.437 -148.695 -13.5447 -37.4277 169.437 -37.429 -103.795 GPRESSURE: 939400 121.586 -181.634 226.161 -193.41 16.9287 -5.00917 297.134 -39.9841 -69.8425 PRESSAVG: 939400 -35.3107 -37.2536 60.8707 -37.2536 27.6501 -5.55601 60.8708 -5.55608 -20.7412 GPRESSAVG: 939400 -35.215 -40.5127 58.1193 -38.0248 27.4698 -4.53774 62.2415 -6.76902 -20.3442 TIMING: 939400 CPU: 2956.99, 0.00316485/step Wall: 2956.99, 0.00316485/step, 3.56977 hours remaining, 235.988281 MB of memory in use. ENERGY: 939400 3919.3440 20513.3022 14470.3306 252.9269 -203077.4485 2266.4130 0.0000 0.0000 51996.2454 -109658.8863 298.8231 -161655.1318 -109304.3230 299.3157 -2.2564 22.8908 761144.2359 -9.4672 -9.3631 PRESSURE: 939600 6.65533 -166.989 233.926 -166.99 -89.7294 72.4993 233.927 72.4992 -161.591 GPRESSURE: 939600 26.5244 -99.5231 303.227 -177.844 -71.4518 8.59375 145.58 58.0358 -133.542 PRESSAVG: 939600 -4.64912 -48.2356 30.5747 -48.2356 -1.65477 -33.4938 30.5747 -33.4938 21.3558 GPRESSAVG: 939600 -4.73633 -43.4974 33.8009 -47.2457 -1.65357 -33.1416 28.3465 -31.6143 21.558 TIMING: 939600 CPU: 2957.62, 0.00315808/step Wall: 2957.62, 0.00315808/step, 3.56197 hours remaining, 235.988281 MB of memory in use. ENERGY: 939600 3988.1237 20503.0844 14376.7082 249.0109 -203418.8998 2572.6441 0.0000 0.0000 52004.2266 -109725.1019 298.8690 -161729.3284 -109362.7129 298.8182 -81.5551 -59.4898 761719.3777 5.0173 5.0560 PRESSURE: 939800 -49.369 -169.236 334.86 -169.236 -4.69987 187.453 334.861 187.454 -371.268 GPRESSURE: 939800 -20.6589 -121.992 381.137 -176.723 -4.10204 77.3306 361.594 298.319 -314.378 PRESSAVG: 939800 36.13 -96.4475 7.4804 -96.4475 -42.4615 -19.9714 7.4804 -19.9714 -8.23943 GPRESSAVG: 939800 36.0882 -98.6197 5.74188 -98.1624 -41.9998 -20.7792 8.61665 -18.6875 -8.50848 TIMING: 939800 CPU: 2958.25, 0.00314016/step Wall: 2958.25, 0.00314016/step, 3.54158 hours remaining, 235.988281 MB of memory in use. ENERGY: 939800 3947.4030 20622.4017 14439.0787 251.7672 -203061.2391 2440.4480 0.0000 0.0000 51983.1616 -109376.9789 298.7479 -161360.1404 -109019.5558 299.4218 -141.7790 -113.0462 762703.1186 -4.8570 -4.8067 PRESSURE: 940000 -358.773 11.0785 113.303 11.079 -173.579 -183.128 113.304 -183.127 132.806 GPRESSURE: 940000 -374.629 -3.98518 129.908 6.13396 -115.057 -243.456 84.3164 -135.459 190.254 PRESSAVG: 940000 -2.46823 -45.4724 28.4466 -45.4724 -21.1113 -25.6057 28.4466 -25.6057 -11.7485 GPRESSAVG: 940000 -3.51026 -44.3109 27.9483 -44.4363 -21.8147 -25.2556 28.1468 -26.5407 -9.69466 TIMING: 940000 CPU: 2958.87, 0.00314201/step Wall: 2958.87, 0.00314201/step, 3.54349 hours remaining, 235.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 940000 3918.4784 20406.6254 14482.0169 258.8598 -203159.5605 2452.4364 0.0000 0.0000 52158.5751 -109482.5685 299.7560 -161641.1436 -109123.5387 299.1924 -133.1819 -99.8106 761986.9465 -11.7760 -11.6732 PRESSURE: 940200 4.52334 -250.763 16.2239 -250.763 12.1557 -56.1148 16.2242 -56.1146 498.244 GPRESSURE: 940200 70.5305 -246.401 33.3045 -239.802 25.5678 -57.4568 -2.56713 -65.2168 504.197 PRESSAVG: 940200 5.62886 -83.8724 0.997955 -83.8724 -41.8974 -24.6566 0.997968 -24.6565 1.4777 GPRESSAVG: 940200 8.19019 -85.4766 1.71509 -84.284 -41.4923 -25.56 -0.000392918 -23.9517 -0.954598 TIMING: 940200 CPU: 2959.51, 0.00315465/step Wall: 2959.51, 0.00315465/step, 3.55757 hours remaining, 235.988281 MB of memory in use. ENERGY: 940200 3984.4790 20444.5357 14408.7023 242.8646 -203528.6928 2720.9531 0.0000 0.0000 52165.9060 -109561.2521 299.7982 -161727.1581 -109202.7990 299.3869 171.6410 200.0984 761175.9767 -11.5970 -11.4189 LDB: ============= START OF LOAD BALANCING ============== 2971.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2971.91 LDB: =============== DONE WITH MIGRATION ================ 2971.91 LDB: ============= START OF LOAD BALANCING ============== 2972.23 LDB: Largest compute 7036 load 0.033273 is 17.0% of average load 0.195805 LDB: Average compute 0.004397 is 2.2% of average load 0.195805 LDB: TIME 2972.23 LOAD: AVG 0.195805 MAX 0.216239 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.719 MB LDB: TIME 2972.23 LOAD: AVG 0.195805 MAX 0.216239 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.723 MB LDB: TIME 2972.23 LOAD: AVG 0.195805 MAX 0.216239 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2972.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2972.24 PRESSURE: 940400 218.734 -190.079 -57.5671 -190.079 170.418 -24.1882 -57.5663 -24.1884 43.215 GPRESSURE: 940400 278.208 -170.013 -11.9291 -92.5077 204.899 4.76513 -52.5575 27.0024 29.2454 PRESSAVG: 940400 38.444 -24.235 17.1355 -24.235 -28.2149 -11.2461 17.1355 -11.2461 8.08988 GPRESSAVG: 940400 37.0037 -23.4352 16.5138 -24.9323 -27.3062 -9.6646 17.0773 -13.2582 8.50991 TIMING: 940400 CPU: 2960.15, 0.00324163/step Wall: 2960.15, 0.00324163/step, 3.65548 hours remaining, 235.542969 MB of memory in use. ENERGY: 940400 3890.6401 20368.9413 14423.4246 260.5249 -202928.2945 2243.9404 0.0000 0.0000 52191.4366 -109549.3866 299.9449 -161740.8233 -109185.5650 299.4160 144.1224 170.7841 759930.7208 6.1063 6.0691 PRESSURE: 940600 -207.263 5.71685 -87.6885 5.71625 -489.258 98.6809 -87.6886 98.681 -156.847 GPRESSURE: 940600 -284.06 -72.2784 -95.1959 39.6194 -319.058 59.2614 -18.3731 144.563 -176.608 PRESSAVG: 940600 29.1246 -61.2308 48.1601 -61.2309 13.6833 13.618 48.16 13.6179 17.4224 GPRESSAVG: 940600 28.4091 -61.5149 48.6814 -61.3514 13.697 12.3029 47.9294 15.695 18.4454 TIMING: 940600 CPU: 2960.79, 0.00316302/step Wall: 2960.79, 0.00316303/step, 3.56666 hours remaining, 235.542969 MB of memory in use. ENERGY: 940600 3998.2010 20551.5937 14401.9881 234.7906 -203065.2246 2280.1636 0.0000 0.0000 52100.2477 -109498.2399 299.4208 -161598.4876 -109145.9742 299.5765 -284.4557 -259.9087 763069.8638 20.0768 20.1839 PRESSURE: 940800 -162.463 38.3202 -58.7295 38.3203 319.57 -152.859 -58.7295 -152.859 -217.942 GPRESSURE: 940800 -86.7378 -121.057 -55.791 -35.0731 244.568 -182.984 -42.4783 -162.371 -145.253 PRESSAVG: 940800 -37.199 -39.5561 36.1502 -39.5562 -7.07332 10.0461 36.1502 10.0461 16.5436 GPRESSAVG: 940800 -35.6322 -39.4195 36.8961 -38.4569 -8.73237 11.1991 37.4344 10.1672 16.3309 TIMING: 940800 CPU: 2961.41, 0.00312913/step Wall: 2961.41, 0.00312913/step, 3.52827 hours remaining, 235.542969 MB of memory in use. ENERGY: 940800 3954.2713 20500.6246 14370.3574 264.0616 -203482.7959 2762.6288 0.0000 0.0000 52067.7708 -109563.0814 299.2342 -161630.8522 -109197.0878 299.1687 -20.2786 4.1923 762421.9822 -9.2429 -9.3446 PRESSURE: 941000 -37.0429 -134.559 92.8484 -134.558 -100.085 -20.9306 92.8489 -20.9309 399.452 GPRESSURE: 941000 97.5947 -93.9621 91.7731 -67.2584 -114.246 -101.844 76.806 -52.8489 369.534 PRESSAVG: 941000 13.7253 -59.8135 13.5464 -59.8136 -10.8381 9.23413 13.5465 9.23417 8.90343 GPRESSAVG: 941000 11.6775 -59.2518 13.9204 -60.2936 -7.79872 10.3367 12.2594 7.96403 7.8841 TIMING: 941000 CPU: 2962.04, 0.00315064/step Wall: 2962.04, 0.00315063/step, 3.55234 hours remaining, 235.785156 MB of memory in use. ENERGY: 941000 3890.1332 20523.3294 14431.1366 253.3689 -203408.3536 2583.3688 0.0000 0.0000 52229.7310 -109497.2857 300.1650 -161727.0166 -109137.0362 299.3212 87.4413 117.6275 761102.1635 3.9302 3.9209 PRESSURE: 941200 -320.495 -7.93471 -64.8837 -7.9347 75.1928 230.393 -64.8837 230.392 -175.111 GPRESSURE: 941200 -262.996 -24.5216 -86.8931 -30.9496 64.0148 152.889 -86.6528 125.5 -122.445 PRESSAVG: 941200 -32.662 -70.3923 -1.12036 -70.3923 0.363742 23.2663 -1.12035 23.2662 11.8931 GPRESSAVG: 941200 -31.4734 -69.0404 -2.91754 -71.7616 -1.67002 22.0013 -1.02663 21.2845 13.1891 TIMING: 941200 CPU: 2962.67, 0.00315846/step Wall: 2962.67, 0.00315846/step, 3.56099 hours remaining, 235.785156 MB of memory in use. ENERGY: 941200 4024.8923 20541.8850 14437.9476 234.2221 -203162.2492 2476.6649 0.0000 0.0000 52101.7649 -109344.8724 299.4296 -161446.6373 -108989.6448 299.5242 -140.1375 -107.1420 761690.5427 -6.8017 -6.6515 PRESSURE: 941400 -349.13 -220.3 237.059 -220.3 -412.323 -400.694 237.06 -400.694 -393.576 GPRESSURE: 941400 -220.517 -245.357 257.722 -63.3993 -458.909 -345.986 168.322 -367.372 -404.419 PRESSAVG: 941400 -15.0874 -19.4714 27.1112 -19.4714 0.540085 -58.7606 27.1112 -58.7605 21.3906 GPRESSAVG: 941400 -16.3959 -19.6212 28.9123 -18.2561 1.86209 -59.0844 25.959 -56.5405 20.3829 TIMING: 941400 CPU: 2963.3, 0.00314327/step Wall: 2963.3, 0.00314327/step, 3.54368 hours remaining, 235.785156 MB of memory in use. ENERGY: 941400 4000.1154 20488.3043 14404.2496 260.6925 -202924.6382 2534.5577 0.0000 0.0000 51791.1972 -109445.5215 297.6447 -161236.7187 -109085.7452 298.7651 -385.0097 -361.2816 763449.2632 2.2811 1.9497 PRESSURE: 941600 166.61 41.2377 31.1247 41.2384 -148.37 2.7176 31.124 2.71755 204.863 GPRESSURE: 941600 45.0583 30.2157 38.8477 16.6466 -14.5503 12.2303 6.6597 -48.3103 266.454 PRESSAVG: 941600 -27.1852 -32.611 51.7473 -32.611 20.883 -65.6971 51.7473 -65.6971 7.6137 GPRESSAVG: 941600 -25.3626 -31.4592 51.5003 -32.7659 19.6387 -65.7373 53.43 -65.5149 6.71615 TIMING: 941600 CPU: 2963.93, 0.00315053/step Wall: 2963.93, 0.00315053/step, 3.5517 hours remaining, 235.785156 MB of memory in use. ENERGY: 941600 3988.4413 20423.2279 14435.9274 239.3448 -203377.5238 2628.6075 0.0000 0.0000 52307.7967 -109354.1782 300.6136 -161661.9748 -108993.7078 299.4749 74.3676 98.9872 759899.2532 0.4372 0.3308 PRESSURE: 941800 -39.4801 121.775 -74.3172 121.776 138.385 -168.804 -74.3182 -168.805 -303.419 GPRESSURE: 941800 47.898 197.76 -86.6691 96.5295 136.236 -159.641 -59.452 -148.143 -298.565 PRESSAVG: 941800 30.7694 -12.7038 23.6906 -12.7038 -32.2225 -41.907 23.6906 -41.907 8.17673 GPRESSAVG: 941800 30.0482 -15.324 23.5617 -12.2839 -31.5654 -42.2335 23.7489 -41.7976 8.21762 TIMING: 941800 CPU: 2964.56, 0.00315043/step Wall: 2964.56, 0.00315043/step, 3.55141 hours remaining, 235.785156 MB of memory in use. ENERGY: 941800 4062.6204 20461.6194 14419.1202 241.8180 -203461.2124 2753.5567 0.0000 0.0000 52192.8367 -109329.6411 299.9529 -161522.4778 -108964.9250 299.7226 -68.1712 -38.1438 760321.0663 2.2412 2.2335 PRESSURE: 942000 133.29 45.5659 -16.2756 45.5668 12.9635 16.7573 -16.2755 16.7566 -243.497 GPRESSURE: 942000 105.339 157.711 -52.9021 54.851 -14.9979 34.0725 -36.7859 -75.2542 -107.156 PRESSAVG: 942000 -30.3088 24.7663 37.8302 24.7663 28.3178 -26.8475 37.8301 -26.8475 -13.8891 GPRESSAVG: 942000 -30.3451 25.0968 38.4625 25.3514 28.3007 -26.0567 35.9062 -26.3891 -14.4419 TIMING: 942000 CPU: 2965.19, 0.00314778/step Wall: 2965.19, 0.00314778/step, 3.54824 hours remaining, 235.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 942000 3995.5049 20381.8797 14498.2839 243.6856 -203105.1548 2598.0641 0.0000 0.0000 52071.1441 -109316.5923 299.2536 -161387.7364 -108951.6249 300.2057 -32.4145 -5.6048 761567.7076 -5.2934 -5.4955 PRESSURE: 942200 244.813 -78.7536 63.7267 -78.7537 -41.6143 -91.7603 63.7268 -91.7608 93.2055 GPRESSURE: 942200 220.635 -67.0426 173.46 -109.982 38.2187 -17.545 171.228 -80.4107 135.914 PRESSAVG: 942200 -20.7995 -20.2032 48.6677 -20.2032 -27.9339 5.95947 48.6677 5.95943 16.4548 GPRESSAVG: 942200 -21.8339 -18.2566 47.4106 -20.8915 -27.1389 6.04758 49.5602 5.06252 16.9508 TIMING: 942200 CPU: 2965.82, 0.00315941/step Wall: 2965.82, 0.00315941/step, 3.56118 hours remaining, 235.785156 MB of memory in use. ENERGY: 942200 3996.8917 20421.8430 14386.6626 233.1544 -203326.5522 2719.3629 0.0000 0.0000 52168.3797 -109400.2579 299.8124 -161568.6376 -109044.4178 299.5684 98.8014 131.5895 759984.9437 -10.7595 -10.6740 PRESSURE: 942400 -277.179 -52.5111 -147.91 -52.5111 170.898 104.615 -147.91 104.616 -200.262 GPRESSURE: 942400 -224.508 14.8723 -105.687 -153.678 145.13 166.482 -50.791 21.5989 -162.959 PRESSAVG: 942400 -54.7069 -68.9721 -15.2699 -68.9722 46.121 -3.29348 -15.2699 -3.29351 1.38924 GPRESSAVG: 942400 -54.3626 -68.8305 -13.4679 -69.0047 46.2795 -3.80629 -13.154 -4.66542 0.919208 TIMING: 942400 CPU: 2966.46, 0.00315274/step Wall: 2966.46, 0.00315274/step, 3.55349 hours remaining, 235.785156 MB of memory in use. ENERGY: 942400 4008.6440 20439.4647 14476.8738 255.3865 -203152.0105 2633.5436 0.0000 0.0000 52050.3301 -109287.7678 299.1340 -161338.0979 -108926.7023 299.7261 -102.1808 -80.7792 762746.0459 -2.3989 -2.3880 PRESSURE: 942600 74.3446 -107.501 11.3585 -107.502 -202.909 -69.0588 11.3582 -69.0596 -389.275 GPRESSURE: 942600 -13.1247 -219.272 -86.8553 -192.496 -115.777 -114.535 23.1457 -127.152 -323.072 PRESSAVG: 942600 -10.6288 -26.5563 23.2851 -26.5563 -1.16759 13.8999 23.2851 13.8999 -3.60407 GPRESSAVG: 942600 -10.8363 -28.837 22.6699 -26.1194 -1.55188 14.1623 21.7885 13.3902 -3.08442 TIMING: 942600 CPU: 2967.08, 0.00314428/step Wall: 2967.08, 0.00314428/step, 3.54377 hours remaining, 235.785156 MB of memory in use. ENERGY: 942600 3943.6784 20517.8712 14421.6411 261.0390 -202725.6119 2315.2781 0.0000 0.0000 51602.9947 -109663.1095 296.5631 -161266.1042 -109302.1488 298.9045 -172.6133 -150.6578 761786.6159 -5.1335 -5.1575 PRESSURE: 942800 -285.583 -38.306 -50.3724 -38.3061 -175.648 -250.981 -50.3709 -250.983 -102.876 GPRESSURE: 942800 -225.304 5.02236 -29.9168 -13.0018 -190.856 -309.73 -59.7076 -378.166 -68.1837 PRESSAVG: 942800 -34.9831 5.25036 -0.767259 5.25038 12.7728 -39.8373 -0.767205 -39.8374 -21.2266 GPRESSAVG: 942800 -32.9979 7.28904 -1.86564 4.82873 10.9111 -39.6829 0.131485 -37.0994 -21.042 TIMING: 942800 CPU: 2967.71, 0.00314903/step Wall: 2967.71, 0.00314903/step, 3.54895 hours remaining, 235.785156 MB of memory in use. ENERGY: 942800 3942.1781 20332.3367 14489.5261 248.7023 -202900.4220 2481.1821 0.0000 0.0000 51882.5624 -109523.9341 298.1698 -161406.4966 -109159.1338 298.3826 -188.0359 -161.4479 760837.0816 -14.4790 -14.3762 PRESSURE: 943000 38.604 145.855 -16.3088 145.854 -218.76 -101.616 -16.31 -101.616 13.2804 GPRESSURE: 943000 -9.67672 139.948 1.96045 186.183 -98.7443 -144.943 -28.4374 -87.871 22.5285 PRESSAVG: 943000 12.7406 -14.7265 21.5061 -14.7265 -2.78007 -21.6597 21.5061 -21.6598 11.1082 GPRESSAVG: 943000 10.0319 -15.9966 22.0166 -13.65 -1.17556 -19.6385 20.4333 -22.6942 12.0053 TIMING: 943000 CPU: 2968.34, 0.00313498/step Wall: 2968.34, 0.00313498/step, 3.53295 hours remaining, 235.785156 MB of memory in use. ENERGY: 943000 3928.2872 20413.4159 14453.2297 234.0130 -203369.7323 2644.6953 0.0000 0.0000 52040.8416 -109655.2495 299.0794 -161696.0912 -109284.5569 298.8718 -55.6253 -28.6308 761150.6875 7.0229 6.9539 PRESSURE: 943200 -154.257 -155.178 -91.6856 -155.178 116.592 -147.684 -91.6855 -147.684 33.1146 GPRESSURE: 943200 -126.422 -159.604 -109.336 -220.166 138.292 -2.38072 -72.1568 -209.437 58.0833 PRESSAVG: 943200 -1.48257 -8.62173 79.7633 -8.62174 18.1949 9.63903 79.7633 9.63902 -5.80406 GPRESSAVG: 943200 -0.678156 -7.98225 80.0062 -9.16263 18.2448 7.92738 79.8933 9.85954 -6.42594 TIMING: 943200 CPU: 2968.97, 0.00313963/step Wall: 2968.97, 0.00313963/step, 3.53802 hours remaining, 235.785156 MB of memory in use. ENERGY: 943200 3966.5601 20486.7273 14489.0992 238.4901 -203217.6280 2455.9969 0.0000 0.0000 51868.0177 -109712.7368 298.0862 -161580.7544 -109351.1466 299.1892 -1.5169 23.3177 759745.4834 3.6361 3.7136 PRESSURE: 943400 -91.3086 68.8354 -34.5178 68.8359 26.76 -326.197 -34.518 -326.196 140.941 GPRESSURE: 943400 -47.9553 69.7901 7.52454 62.9264 107.161 -312.731 -97.3532 -141.473 108.591 PRESSAVG: 943400 -28.6701 -0.297186 17.197 -0.297129 60.6462 -44.5398 17.1971 -44.5398 -12.9711 GPRESSAVG: 943400 -27.5515 0.737092 18.0283 -0.943892 61.7923 -44.6842 15.8114 -41.1142 -14.3746 TIMING: 943400 CPU: 2969.6, 0.0031475/step Wall: 2969.6, 0.0031475/step, 3.54671 hours remaining, 235.785156 MB of memory in use. ENERGY: 943400 3967.0165 20451.1084 14388.8683 243.5183 -203721.5354 2755.4619 0.0000 0.0000 52269.4202 -109646.1418 300.3931 -161915.5620 -109278.3489 298.9808 25.4643 55.9323 759818.8902 6.3350 6.6221 PRESSURE: 943600 -258.817 -149.164 -172.604 -149.165 45.3455 -67.8372 -172.604 -67.8374 -156.779 GPRESSURE: 943600 -245.676 -179.898 -154.872 -165.722 49.649 -66.896 -163.357 -330.587 -88.035 PRESSAVG: 943600 -34.8322 -42.5662 -23.9825 -42.5662 74.4286 -73.0661 -23.9826 -73.0662 2.9544 GPRESSAVG: 943600 -35.4523 -42.4238 -25.6793 -42.1961 73.5852 -73.2285 -21.8429 -76.1335 4.95376 TIMING: 943600 CPU: 2970.23, 0.00314566/step Wall: 2970.23, 0.00314566/step, 3.54446 hours remaining, 235.785156 MB of memory in use. ENERGY: 943600 3914.1815 20503.4356 14422.4543 236.7015 -203474.8877 2574.3421 0.0000 0.0000 51928.8364 -109894.9363 298.4357 -161823.7727 -109539.1868 298.9345 -123.4166 -94.6875 759383.0728 14.1836 14.3622 PRESSURE: 943800 -66.8725 -97.9649 -98.8844 -97.9655 -194.499 30.4511 -98.8847 30.4516 199.806 GPRESSURE: 943800 20.9417 -73.8002 -171.84 -73.3404 -163.532 3.50828 32.267 52.1636 150.745 PRESSAVG: 943800 -62.9744 -24.5528 6.27537 -24.5528 -0.749638 36.9103 6.27537 36.9103 7.32873 GPRESSAVG: 943800 -62.5241 -25.6959 7.68672 -25.1953 -2.03512 37.0543 3.60502 38.323 7.42009 TIMING: 943800 CPU: 2970.86, 0.00313925/step Wall: 2970.86, 0.00313925/step, 3.53707 hours remaining, 235.785156 MB of memory in use. ENERGY: 943800 3964.4031 20586.2886 14337.9114 247.3486 -203477.4484 2561.3441 0.0000 0.0000 51983.2438 -109796.9088 298.7484 -161780.1526 -109436.9435 298.7455 -20.5219 2.7184 761424.5621 -18.7984 -19.0464 PRESSURE: 944000 -166.252 43.9835 -82.1674 43.9832 66.0647 -108.644 -82.1676 -108.643 -74.521 GPRESSURE: 944000 -267.052 26.2803 -28.3423 152.09 112.994 -55.0761 -135.921 -121.939 63.5229 PRESSAVG: 944000 34.8533 -20.2565 17.0046 -20.2565 -48.5067 19.4811 17.0045 19.4811 10.6606 GPRESSAVG: 944000 35.2909 -19.5348 17.2819 -18.0306 -47.6992 19.0311 22.9598 18.2545 9.82117 TIMING: 944000 CPU: 2971.48, 0.00313912/step Wall: 2971.48, 0.00313912/step, 3.53674 hours remaining, 235.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 944000 3954.2247 20380.7344 14468.2767 252.2271 -203260.0916 2376.5604 0.0000 0.0000 52090.1146 -109737.9536 299.3626 -161828.0682 -109375.4521 299.0417 -58.2360 -30.1785 760577.9900 -0.9976 -0.8624 PRESSURE: 944200 -66.9238 -81.1679 -46.076 -81.1674 105.424 -78.2897 -46.0754 -78.2908 122.562 GPRESSURE: 944200 6.56463 73.2962 72.3509 -94.6417 103.084 -98.7475 -140.99 -0.107798 128.313 PRESSAVG: 944200 22.4811 -64.176 -34.9188 -64.1761 40.9758 -6.78292 -34.9188 -6.78291 10.1871 GPRESSAVG: 944200 20.9549 -62.8365 -35.707 -64.2293 41.5969 -5.51366 -40.2592 -6.90808 10.8929 TIMING: 944200 CPU: 2972.11, 0.00314794/step Wall: 2972.11, 0.00314794/step, 3.54651 hours remaining, 235.785156 MB of memory in use. ENERGY: 944200 3889.6041 20318.8043 14470.1808 257.6505 -203918.2456 2736.6312 0.0000 0.0000 52227.8884 -110017.4863 300.1544 -162245.3747 -109655.2245 298.7465 53.6875 79.3206 759418.1002 24.5480 24.4816 LDB: ============= START OF LOAD BALANCING ============== 2984.51 LDB: ============== END OF LOAD BALANCING =============== 2984.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2984.51 LDB: ============= START OF LOAD BALANCING ============== 2984.83 LDB: Largest compute 7068 load 0.032562 is 16.6% of average load 0.195877 LDB: Average compute 0.004367 is 2.2% of average load 0.195877 LDB: TIME 2984.83 LOAD: AVG 0.195877 MAX 0.214927 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.02 MB LDB: TIME 2984.83 LOAD: AVG 0.195877 MAX 0.214927 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.02 MB LDB: TIME 2984.83 LOAD: AVG 0.195877 MAX 0.214927 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.02 MB LDB: ============== END OF LOAD BALANCING =============== 2984.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2984.84 PRESSURE: 944400 -280.489 3.08404 -208.892 3.08429 -61.4186 40.7796 -208.893 40.7782 134.905 GPRESSURE: 944400 -197.642 -17.2254 -177.159 40.6114 -72.7152 42.0607 -90.8658 35.4325 143.253 PRESSAVG: 944400 16.0052 -20.9677 4.64854 -20.9676 5.93209 -38.9396 4.64855 -38.9396 -16.5873 GPRESSAVG: 944400 16.4979 -23.9394 4.32431 -21.8644 5.86731 -38.9391 4.44245 -38.2148 -16.6348 TIMING: 944400 CPU: 2972.76, 0.00322997/step Wall: 2972.76, 0.00322998/step, 3.63875 hours remaining, 236.773438 MB of memory in use. ENERGY: 944400 3947.2305 20463.9796 14506.9040 243.4335 -203585.5859 2563.3661 0.0000 0.0000 51882.4359 -109978.2363 298.1691 -161860.6722 -109625.7049 298.4485 -69.0009 -42.3679 760342.1819 1.7833 1.9102 PRESSURE: 944600 -158.384 84.8851 14.2005 84.8853 -69.6235 -40.6699 14.2001 -40.6699 -248.871 GPRESSURE: 944600 1.29404 52.5001 -2.59223 36.6986 -184.657 21.831 17.1243 -104.497 -206.391 PRESSAVG: 944600 -2.04079 -37.2867 32.9205 -37.2867 -16.6593 37.3842 32.9205 37.3842 2.56168 GPRESSAVG: 944600 -1.27512 -36.6187 34.8119 -39.9115 -17.3708 36.8658 34.5533 37.0909 2.92332 TIMING: 944600 CPU: 2973.39, 0.0031504/step Wall: 2973.39, 0.0031504/step, 3.54892 hours remaining, 236.976562 MB of memory in use. ENERGY: 944600 3917.5798 20450.1609 14452.5675 242.4012 -203505.6044 2457.1289 0.0000 0.0000 52122.5245 -109863.2416 299.5489 -161985.7661 -109494.0432 298.3825 -158.9595 -129.9179 761565.9203 -5.3795 -5.2409 PRESSURE: 944800 -154.253 -114.659 258.162 -114.66 151.49 -320.17 258.162 -320.171 -36.5066 GPRESSURE: 944800 -69.6894 -124.353 287.15 -93.963 120.537 -352.481 221.595 -270.206 -10.9745 PRESSAVG: 944800 -23.2034 -26.8906 17.4493 -26.8906 22.7598 6.06713 17.4492 6.06717 -1.77365 GPRESSAVG: 944800 -23.1475 -26.6847 15.7709 -23.123 22.9607 6.10806 15.0075 6.19887 -2.30532 TIMING: 944800 CPU: 2974.02, 0.00314454/step Wall: 2974.02, 0.00314454/step, 3.54215 hours remaining, 236.976562 MB of memory in use. ENERGY: 944800 3937.7265 20454.5623 14387.4184 236.2115 -202820.9077 2372.4318 0.0000 0.0000 51810.1107 -109622.4465 297.7534 -161432.5572 -109258.0462 298.4906 -13.0897 13.2911 761610.5839 -0.7391 -0.8307 PRESSURE: 945000 -29.429 47.5957 -63.9023 47.5957 4.14507 50.0472 -63.9036 50.0465 -294.688 GPRESSURE: 945000 -9.69152 181.539 -114.719 -72.8661 20.0135 72.1484 -25.9193 -57.4969 -254.617 PRESSAVG: 945000 12.8305 -23.3915 44.9444 -23.3914 -1.4902 -5.3641 44.9445 -5.36408 -3.06639 GPRESSAVG: 945000 13.1367 -24.1327 44.9666 -23.1811 -0.886896 -6.07964 45.9644 -4.69314 -3.83677 TIMING: 945000 CPU: 2974.65, 0.00315937/step Wall: 2974.65, 0.00315937/step, 3.55868 hours remaining, 236.976562 MB of memory in use. ENERGY: 945000 3960.7215 20502.1622 14500.2326 284.3189 -203069.4667 2190.3495 0.0000 0.0000 51995.0541 -109636.6279 298.8163 -161631.6820 -109281.9678 298.7083 -106.6573 -81.4316 760365.7994 2.7580 2.8043 PRESSURE: 945200 85.78 -276.31 34.6535 -276.31 519.711 71.7505 34.6531 71.7489 -15.4845 GPRESSURE: 945200 206.63 -230.476 155.923 -126.226 542.886 46.1249 108.126 -40.1041 -54.7983 PRESSAVG: 945200 8.48443 -56.0273 -9.05797 -56.0273 3.77569 22.1052 -9.05802 22.1051 -13.6671 GPRESSAVG: 945200 8.91341 -55.1847 -8.04356 -57.6041 2.73982 20.9329 -7.40109 22.4667 -13.0563 TIMING: 945200 CPU: 2975.28, 0.00316122/step Wall: 2975.28, 0.00316122/step, 3.56058 hours remaining, 236.976562 MB of memory in use. ENERGY: 945200 3911.9276 20503.2222 14546.6169 270.8704 -203584.5674 2918.4489 0.0000 0.0000 51838.4632 -109595.0181 297.9164 -161433.4814 -109235.0523 299.1395 196.6688 231.5728 762166.5783 -0.4690 -0.4677 PRESSURE: 945400 40.794 -227.423 -185.585 -227.424 -80.9685 -273.152 -185.585 -273.15 426.467 GPRESSURE: 945400 131.171 -224.381 -214.583 -156.954 -4.84563 -277.058 -111.856 -168.705 328.725 PRESSAVG: 945400 18.4455 -52.8006 -1.4144 -52.8007 -3.60894 -69.7363 -1.41438 -69.7362 51.2762 GPRESSAVG: 945400 17.0349 -53.2223 -2.32468 -52.0822 -1.85203 -68.4703 -3.02322 -68.5795 50.8636 TIMING: 945400 CPU: 2975.91, 0.00316248/step Wall: 2975.91, 0.00316248/step, 3.56183 hours remaining, 236.976562 MB of memory in use. ENERGY: 945400 3975.7475 20554.3343 14397.9401 252.6615 -203388.4759 2868.1440 0.0000 0.0000 51897.7978 -109441.8507 298.2574 -161339.6485 -109092.7181 299.1362 128.7643 151.6832 762726.3912 22.0376 22.0155 PRESSURE: 945600 -169.455 -49.893 -121.66 -49.8919 195.549 231.575 -121.66 231.575 -21.8658 GPRESSURE: 945600 -91.1431 -51.1319 -88.5469 -9.41153 149.976 279.298 -45.1531 251.585 17.0512 PRESSAVG: 945600 30.6897 -19.9757 48.7938 -19.9756 -9.9392 0.96898 48.7938 0.968946 -1.62906 GPRESSAVG: 945600 32.7377 -21.2168 51.4422 -20.7519 -11.8581 1.45766 50.985 0.584524 -2.00875 TIMING: 945600 CPU: 2976.54, 0.00315264/step Wall: 2976.54, 0.00315264/step, 3.55057 hours remaining, 236.976562 MB of memory in use. ENERGY: 945600 4025.3766 20611.8667 14530.8306 242.3533 -203466.3690 2766.6273 0.0000 0.0000 52041.6191 -109247.6954 299.0839 -161289.3144 -108885.7386 299.3455 1.4092 25.2946 762111.5846 6.3738 6.2903 PRESSURE: 945800 134.762 274.024 115.381 274.023 -111.507 141.393 115.381 141.392 20.6228 GPRESSURE: 945800 197.381 218.935 108.732 214.133 -77.0413 108.265 55.3467 209.812 14.5041 PRESSAVG: 945800 8.32365 -20.2049 0.350524 -20.2049 21.6282 41.4294 0.350562 41.4293 26.1419 GPRESSAVG: 945800 6.7497 -19.3295 -2.62164 -20.7453 22.919 39.1529 -0.40056 42.209 26.0071 TIMING: 945800 CPU: 2977.18, 0.00316193/step Wall: 2977.18, 0.00316193/step, 3.56086 hours remaining, 236.976562 MB of memory in use. ENERGY: 945800 3987.7366 20502.4341 14511.9013 277.3212 -202811.6595 2366.8120 0.0000 0.0000 52181.7933 -108983.6610 299.8895 -161165.4543 -108619.9096 299.9539 14.6262 44.9479 764369.5549 18.6979 18.5586 PRESSURE: 946000 6.78254 -78.0123 -188.234 -78.0129 -185.325 83.2847 -188.235 83.2845 95.1792 GPRESSURE: 946000 1.99171 -136.644 -154.654 -23.6313 -97.8069 54.2737 -192.081 58.3634 84.2692 PRESSAVG: 946000 25.8229 43.4737 2.10896 43.4737 -0.805305 42.9461 2.109 42.9461 9.35348 GPRESSAVG: 946000 25.2671 41.4102 2.99401 44.3638 -1.05737 43.3942 0.911309 43.0507 9.5656 TIMING: 946000 CPU: 2977.81, 0.00316428/step Wall: 2977.81, 0.00316428/step, 3.56333 hours remaining, 236.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 946000 3931.4256 20653.8115 14451.1200 238.9480 -203345.8940 2556.2206 0.0000 0.0000 52078.3530 -109436.0153 299.2950 -161514.3683 -109089.5710 299.8324 -27.7877 -3.8486 763656.2668 11.4570 11.2584 PRESSURE: 946200 191.445 -140.844 -25.8758 -140.844 62.6835 -92.0129 -25.876 -92.0138 -314.214 GPRESSURE: 946200 150.158 -17.91 -31.2025 -29.5254 172.916 -27.7292 8.76393 -203.785 -306.791 PRESSAVG: 946200 -2.02203 -18.0559 -35.0986 -18.0559 -36.9847 62.1824 -35.0986 62.1824 7.24438 GPRESSAVG: 946200 -1.1038 -16.0606 -35.3686 -18.9696 -38.2131 65.3885 -35.066 59.4416 8.28988 TIMING: 946200 CPU: 2978.44, 0.00316999/step Wall: 2978.44, 0.00316999/step, 3.56958 hours remaining, 236.976562 MB of memory in use. ENERGY: 946200 3964.6867 20582.0921 14377.2665 237.2572 -203442.2767 2914.5675 0.0000 0.0000 51714.8606 -109651.5461 297.2060 -161366.4067 -109291.1015 299.0688 -20.0285 5.4278 764103.4658 -10.5875 -10.3424 PRESSURE: 946400 -107.435 70.6365 -16.8625 70.6364 55.8597 -37.7613 -16.8621 -37.7615 452.55 GPRESSURE: 946400 -87.2329 60.2908 -13.4503 -56.1036 120.154 7.3471 34.1656 -62.5222 462.63 PRESSAVG: 946400 -34.7308 -2.93991 -17.3776 -2.93991 11.2056 16.0819 -17.3776 16.0819 -10.9588 GPRESSAVG: 946400 -35.9078 -3.12535 -18.4276 -2.8925 11.907 14.9667 -17.2904 15.4531 -10.5612 TIMING: 946400 CPU: 2979.08, 0.00317443/step Wall: 2979.08, 0.00317443/step, 3.57441 hours remaining, 236.976562 MB of memory in use. ENERGY: 946400 4037.6917 20363.1230 14383.3049 246.8849 -202984.1004 2476.1775 0.0000 0.0000 51931.2492 -109545.6691 298.4496 -161476.9183 -109187.2626 298.9712 133.6579 165.1835 762498.2918 -11.4947 -11.5207 PRESSURE: 946600 144.224 -47.7806 -194.116 -47.781 -450.893 234.012 -194.116 234.011 -12.0436 GPRESSURE: 946600 66.3233 -150.9 -214.453 38.0978 -353.049 222.156 -92.9542 204.266 58.3395 PRESSAVG: 946600 29.8349 -20.8805 -11.296 -20.8805 -53.3011 -20.6871 -11.296 -20.687 9.05106 GPRESSAVG: 946600 30.0506 -19.1228 -10.917 -21.9184 -52.6279 -20.7049 -11.7286 -21.2245 8.71899 TIMING: 946600 CPU: 2979.71, 0.00316369/step Wall: 2979.71, 0.00316369/step, 3.56214 hours remaining, 236.976562 MB of memory in use. ENERGY: 946600 3962.4743 20365.2660 14454.6388 249.5032 -203648.8967 2714.1813 0.0000 0.0000 52294.3568 -109608.4764 300.5364 -161902.8332 -109256.1397 298.8461 -106.2375 -76.1287 763795.9995 -4.8050 -4.6194 PRESSURE: 946800 -58.4474 -19.0103 137.355 -19.0108 -143.868 288.734 137.354 288.736 374.884 GPRESSURE: 946800 -91.1335 31.1797 123.675 -14.0227 -41.4375 149.942 -6.55946 347.58 388.879 PRESSAVG: 946800 -50.2785 12.8632 -2.79664 12.8632 -20.2502 -14.9008 -2.7966 -14.9008 -24.1033 GPRESSAVG: 946800 -50.9669 12.8103 -0.867111 13.2481 -20.1413 -15.1977 -2.3692 -13.8352 -23.798 TIMING: 946800 CPU: 2980.34, 0.0031405/step Wall: 2980.34, 0.0031405/step, 3.53585 hours remaining, 236.976562 MB of memory in use. ENERGY: 946800 3970.0484 20586.2486 14462.5411 245.2241 -203315.4652 2590.8421 0.0000 0.0000 51858.3361 -109602.2249 298.0306 -161460.5610 -109244.9447 298.6455 57.5228 85.4361 761373.7806 -31.5440 -31.6354 PRESSURE: 947000 57.171 117.834 217.763 117.834 333.541 -186.232 217.762 -186.231 148.521 GPRESSURE: 947000 90.3099 -34.5879 149.013 45.4732 381.824 -265.311 82.9204 -114.244 144.612 PRESSAVG: 947000 -31.179 -19.128 -0.097649 -19.1281 4.02033 -4.0016 -0.097667 -4.00163 15.9121 GPRESSAVG: 947000 -30.7961 -21.7858 -0.897142 -16.3449 3.97571 -5.69344 -1.25699 -3.74339 16.0542 TIMING: 947000 CPU: 2980.97, 0.00314571/step Wall: 2980.97, 0.00314571/step, 3.54154 hours remaining, 236.976562 MB of memory in use. ENERGY: 947000 3896.3206 20517.5041 14391.9763 259.4982 -203118.3390 2418.2672 0.0000 0.0000 52322.9167 -109311.8557 300.7005 -161634.7724 -108946.5999 298.8779 179.7442 205.5818 762097.0513 -3.7489 -3.5887 PRESSURE: 947200 -20.7139 -292.143 -46.0366 -292.145 105.967 72.5848 -46.0369 72.5846 222.58 GPRESSURE: 947200 88.8321 -288.309 -47.6053 -315.879 24.9632 145.781 -33.2099 204.399 297.948 PRESSAVG: 947200 38.0511 -59.5959 -33.5675 -59.5959 -20.5693 15.4725 -33.5676 15.4725 -5.15101 GPRESSAVG: 947200 36.9164 -57.5877 -34.0392 -64.4874 -18.8721 18.0446 -31.2512 14.9723 -5.71796 TIMING: 947200 CPU: 2981.6, 0.0031507/step Wall: 2981.6, 0.0031507/step, 3.54699 hours remaining, 236.976562 MB of memory in use. ENERGY: 947200 3957.0813 20374.6265 14471.3973 246.6405 -203551.0829 2869.2086 0.0000 0.0000 52215.8022 -109416.3265 300.0849 -161632.1287 -109032.3492 299.8045 102.6112 137.2476 762058.0148 4.1103 4.1088 PRESSURE: 947400 107.305 33.4662 -13.966 33.4662 -199.132 56.181 -13.9662 56.1793 208.825 GPRESSURE: 947400 131.12 17.9894 29.7965 2.13248 -114.108 -22.5067 -75.0945 159.629 183.987 PRESSAVG: 947400 24.054 -36.6436 -5.75633 -36.6436 23.8153 -8.1822 -5.75627 -8.18223 27.3987 GPRESSAVG: 947400 24.0464 -38.5503 -7.0269 -34.0419 22.7422 -9.3951 -7.53962 -8.28978 27.7564 TIMING: 947400 CPU: 2982.23, 0.00315678/step Wall: 2982.23, 0.00315678/step, 3.55366 hours remaining, 236.976562 MB of memory in use. ENERGY: 947400 4020.1903 20532.8537 14512.7049 242.1946 -203394.5820 2556.1639 0.0000 0.0000 52145.7130 -109384.7616 299.6821 -161530.4747 -109022.5963 299.2910 38.9997 66.9996 761423.5300 25.0893 24.8483 PRESSURE: 947600 -321.241 -179.463 -50.964 -179.464 -297.617 80.9161 -50.9631 80.9157 195.262 GPRESSURE: 947600 -283.63 -201.546 -198.551 -92.8044 -283.076 82.8638 48.9244 171.189 218.876 PRESSAVG: 947600 -21.8073 -25.7757 17.6631 -25.7757 27.142 34.7445 17.6631 34.7446 -13.6219 GPRESSAVG: 947600 -22.2371 -24.6213 18.255 -24.8673 26.471 35.8115 19.6697 35.0657 -12.3814 TIMING: 947600 CPU: 2982.86, 0.00315472/step Wall: 2982.86, 0.00315472/step, 3.55117 hours remaining, 236.976562 MB of memory in use. ENERGY: 947600 3991.5102 20629.4615 14440.6898 229.0827 -203269.0915 2410.0350 0.0000 0.0000 52005.0603 -109563.2522 298.8738 -161568.3125 -109211.4533 299.8213 -141.1984 -115.9432 762375.7949 -2.7624 -2.7158 PRESSURE: 947800 -115.452 -134.319 46.2504 -134.318 119.465 34.6585 46.2502 34.6585 13.675 GPRESSURE: 947800 -54.006 -161.439 149.257 -206.146 184.626 -45.4919 -11.4202 50.1113 -36.6867 PRESSAVG: 947800 25.8415 -69.164 -54.5094 -69.164 -8.16193 -31.402 -54.5094 -31.402 7.52996 GPRESSAVG: 947800 27.6269 -69.0306 -56.084 -70.1617 -6.73847 -32.6355 -56.5384 -31.7203 5.05904 TIMING: 947800 CPU: 2983.49, 0.0031491/step Wall: 2983.49, 0.0031491/step, 3.54466 hours remaining, 236.976562 MB of memory in use. ENERGY: 947800 3964.4966 20403.6059 14457.9207 250.7763 -203150.8289 2570.7925 0.0000 0.0000 52024.4110 -109478.8260 298.9850 -161503.2370 -109112.7364 298.7428 5.8958 31.3111 761460.6011 8.4032 8.6492 PRESSURE: 948000 -193.095 -135.789 -189.292 -135.79 -232.898 162.793 -189.292 162.793 89.0678 GPRESSURE: 948000 -179.619 -152.612 -196.756 -124.547 -175.062 161.495 -158.84 179.963 81.7551 PRESSAVG: 948000 22.438 -63.7301 -44.3343 -63.7301 -40.1775 10.0969 -44.3343 10.0969 28.8644 GPRESSAVG: 948000 21.7945 -59.9293 -42.6505 -66.2106 -40.4131 10.0934 -42.9305 9.14556 29.59 TIMING: 948000 CPU: 2984.12, 0.00316276/step Wall: 2984.12, 0.00316276/step, 3.55986 hours remaining, 236.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 948000 3938.8256 20486.7995 14486.5490 256.5017 -202874.9301 2455.7812 0.0000 0.0000 51854.4696 -109396.0036 298.0083 -161250.4732 -109031.0091 299.1847 -112.3082 -90.9752 763070.4454 3.7083 3.6571 PRESSURE: 948200 -129.731 -123.421 -158.927 -123.42 125.243 75.7361 -158.926 75.7371 -387.958 GPRESSURE: 948200 -61.9909 -108.609 -194.494 -166.442 140.314 17.6641 -15.6318 87.9716 -392.458 PRESSAVG: 948200 16.5308 -74.7935 38.2496 -74.7935 13.6291 5.30883 38.2496 5.30883 -1.48148 GPRESSAVG: 948200 15.756 -78.4374 37.289 -71.382 12.8863 6.08706 37.8693 7.71502 0.542401 TIMING: 948200 CPU: 2984.76, 0.00316225/step Wall: 2984.76, 0.00316225/step, 3.55911 hours remaining, 236.976562 MB of memory in use. ENERGY: 948200 3949.9103 20509.3065 14472.7232 257.0035 -203461.7859 2562.2544 0.0000 0.0000 52203.6131 -109506.9750 300.0149 -161710.5881 -109145.7747 299.0981 -130.8153 -104.7116 761499.3737 9.5595 9.7282 LDB: ============= START OF LOAD BALANCING ============== 2997.16 LDB: ============== END OF LOAD BALANCING =============== 2997.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2997.16 LDB: ============= START OF LOAD BALANCING ============== 2997.48 LDB: Largest compute 7035 load 0.033148 is 16.9% of average load 0.195776 LDB: Average compute 0.004380 is 2.2% of average load 0.195776 LDB: TIME 2997.48 LOAD: AVG 0.195776 MAX 0.21577 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.293 MB LDB: TIME 2997.48 LOAD: AVG 0.195776 MAX 0.21577 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.41 MB LDB: TIME 2997.48 LOAD: AVG 0.195776 MAX 0.21577 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.41 MB LDB: ============== END OF LOAD BALANCING =============== 2997.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2997.49 PRESSURE: 948400 51.1323 -57.854 -157.324 -57.8543 -205.328 -131.872 -157.324 -131.871 95.0918 GPRESSURE: 948400 84.381 -103.723 -176.89 -34.4281 -151.836 -231.161 -67.5844 -40.9163 96.9661 PRESSAVG: 948400 -12.0253 -36.8134 -32.9427 -36.8134 -14.1042 48.4923 -32.9427 48.4922 28.83 GPRESSAVG: 948400 -10.7217 -37.2904 -30.1635 -36.4254 -13.9347 48.6021 -34.5074 46.1898 27.6424 TIMING: 948400 CPU: 2985.4, 0.00323838/step Wall: 2985.4, 0.00323838/step, 3.64462 hours remaining, 238.003906 MB of memory in use. ENERGY: 948400 4056.6530 20142.8706 14480.1047 253.5376 -202922.4233 2484.3224 0.0000 0.0000 51986.2263 -109518.7088 298.7656 -161504.9351 -109150.8947 298.4442 -19.7012 9.8371 761898.4282 0.9002 0.9953 PRESSURE: 948600 205.109 -110.272 -153.38 -110.272 -133.317 7.9364 -153.38 7.93669 -12.3776 GPRESSURE: 948600 76.7663 18.6044 -166.989 -35.2013 35.8099 -15.6866 -102.79 -52.1054 30.8103 PRESSAVG: 948600 43.7227 -58.0538 59.0255 -58.0538 30.8578 -16.4124 59.0255 -16.4124 -11.2934 GPRESSAVG: 948600 44.0155 -57.5806 57.5876 -58.5423 30.9437 -16.0366 59.3003 -18.5004 -11.7996 TIMING: 948600 CPU: 2986.03, 0.00314847/step Wall: 2986.03, 0.00314847/step, 3.54325 hours remaining, 238.003906 MB of memory in use. ENERGY: 948600 3998.8953 20451.4530 14494.4992 239.6655 -202906.4417 2291.1277 0.0000 0.0000 51898.4750 -109532.3260 298.2612 -161430.8010 -109171.9090 298.3502 19.8051 47.7955 760650.6921 21.0957 21.0532 PRESSURE: 948800 -130.596 -97.0441 52.7278 -97.0439 150.243 47.9561 52.7281 47.9562 -544.528 GPRESSURE: 948800 -113.766 -63.192 69.4512 -157.95 138.62 33.2046 38.5783 181.874 -462.09 PRESSAVG: 948800 -20.7129 -59.8274 9.43846 -59.8275 9.16846 49.2867 9.43844 49.2866 11.4862 GPRESSAVG: 948800 -20.7248 -59.1213 9.10717 -61.2706 8.86469 49.7498 9.41148 53.5932 12.0575 TIMING: 948800 CPU: 2986.67, 0.00316791/step Wall: 2986.67, 0.00316791/step, 3.56495 hours remaining, 238.003906 MB of memory in use. ENERGY: 948800 3988.2776 20447.8055 14518.4481 237.0990 -203030.1758 2507.3202 0.0000 0.0000 52088.1032 -109243.1221 299.3510 -161331.2253 -108873.5821 298.7420 -174.9603 -145.7454 762187.7429 -0.0194 0.0658 PRESSURE: 949000 127.655 196.332 -70.4556 196.332 215.525 -48.2535 -70.4555 -48.2533 -311.211 GPRESSURE: 949000 62.9726 173.564 -110.795 249.051 273.993 67.4043 -93.048 68.6861 -249.48 PRESSAVG: 949000 10.4638 -18.2658 10.2796 -18.2659 -34.4893 -3.80605 10.2796 -3.80613 -20.0988 GPRESSAVG: 949000 9.37511 -16.7086 9.27945 -19.0462 -33.0001 -3.36671 11.0065 -3.9665 -20.4173 TIMING: 949000 CPU: 2987.3, 0.0031741/step Wall: 2987.3, 0.0031741/step, 3.57175 hours remaining, 238.003906 MB of memory in use. ENERGY: 949000 4028.4694 20593.0771 14432.9349 266.5137 -203233.6129 2857.3376 0.0000 0.0000 51967.4929 -109087.7873 298.6579 -161055.2802 -108733.3976 299.7355 10.6563 29.1619 763129.9938 -14.7081 -14.6808 PRESSURE: 949200 85.1951 422.234 231.743 422.233 216.446 0.128124 231.742 0.128684 -86.4968 GPRESSURE: 949200 108.905 303.956 263.251 232.911 274.845 18.657 119.728 33.9309 -86.7888 PRESSAVG: 949200 7.58877 -19.8554 -6.89581 -19.8555 -47.3418 48.3637 -6.89578 48.3637 -5.62055 GPRESSAVG: 949200 8.73262 -21.9358 -5.62851 -20.6951 -47.7361 47.6229 -8.81567 50.1242 -6.02021 TIMING: 949200 CPU: 2987.93, 0.0031583/step Wall: 2987.93, 0.0031583/step, 3.55379 hours remaining, 238.003906 MB of memory in use. ENERGY: 949200 3926.3769 20512.1040 14484.5141 245.6810 -203207.7219 2719.2447 0.0000 0.0000 52079.2963 -109240.5049 299.3004 -161319.8012 -108878.7177 299.1994 71.7146 98.9869 762049.3346 -15.1245 -15.0079 PRESSURE: 949400 17.4391 -35.2266 32.0791 -35.2259 -260.928 -15.4719 32.0782 -15.4722 69.5427 GPRESSURE: 949400 28.8424 10.7923 100.776 44.9636 -138.83 15.3646 115.176 52.0039 13.7857 PRESSAVG: 949400 -5.81204 -44.9764 27.031 -44.9765 33.4968 67.3259 27.031 67.3259 -8.04042 GPRESSAVG: 949400 -4.78528 -45.3924 26.4715 -42.6834 32.1534 66.7592 29.7443 64.3445 -8.05394 TIMING: 949400 CPU: 2988.56, 0.00314127/step Wall: 2988.56, 0.00314127/step, 3.53445 hours remaining, 238.003906 MB of memory in use. ENERGY: 949400 3993.6063 20454.8482 14518.5982 254.7847 -202660.3114 2090.3092 0.0000 0.0000 52062.7537 -109285.4112 299.2054 -161348.1649 -108930.3454 299.3922 -57.9822 -32.0674 761182.0276 6.5481 6.4381 PRESSURE: 949600 -299.74 17.4284 68.7664 17.4279 163.277 -262.664 68.7666 -262.664 139.26 GPRESSURE: 949600 -147.989 62.675 -48.5866 123.374 119.04 -160.876 -11.0788 -223.424 149.508 PRESSAVG: 949600 25.0081 -2.4614 36.7956 -2.46136 -21.0802 1.57623 36.7956 1.57627 3.11088 GPRESSAVG: 949600 24.8324 -3.05325 37.2277 -4.3454 -19.7685 2.58789 35.8987 2.21043 2.0243 TIMING: 949600 CPU: 2989.19, 0.00313713/step Wall: 2989.19, 0.00313713/step, 3.52961 hours remaining, 238.003906 MB of memory in use. ENERGY: 949600 4047.9083 20392.4502 14458.0875 235.3970 -203562.1831 2803.9523 0.0000 0.0000 52166.7282 -109457.6595 299.8029 -161624.3877 -109094.8284 299.4674 0.9323 40.1863 761403.0054 2.3463 2.3627 PRESSURE: 949800 64.248 130.208 -138.046 130.208 247.45 208.785 -138.046 208.785 2.3818 GPRESSURE: 949800 132.389 135.876 -219.767 127.319 240.715 249.585 -103.832 167.763 -1.78595 PRESSAVG: 949800 -61.5743 -45.8737 31.0255 -45.8737 37.2411 -34.3839 31.0255 -34.3839 -15.3586 GPRESSAVG: 949800 -61.9898 -44.8312 31.4055 -46.9106 36.6331 -35.3623 29.358 -35.5427 -14.5636 TIMING: 949800 CPU: 2989.82, 0.00315472/step Wall: 2989.82, 0.00315472/step, 3.54924 hours remaining, 238.003906 MB of memory in use. ENERGY: 949800 3883.5164 20675.2823 14522.1423 265.7355 -203414.0901 2717.4089 0.0000 0.0000 51834.4876 -109515.5170 297.8935 -161350.0047 -109153.6631 298.6542 104.6932 123.7727 761640.5705 -13.2306 -13.3068 PRESSURE: 950000 73.3895 -22.7911 -68.2372 -22.7912 558.432 106.522 -68.2381 106.523 139.889 GPRESSURE: 950000 69.6479 36.3964 -161.249 32.5893 486.613 122.812 29.5829 9.48015 292.889 PRESSAVG: 950000 -21.7109 -48.7964 35.6034 -48.7964 19.4293 -6.39685 35.6034 -6.39692 2.40323 GPRESSAVG: 950000 -22.5942 -47.7097 35.4406 -48.3443 19.6167 -4.95284 34.5686 -4.94279 3.08263 TIMING: 950000 CPU: 2990.46, 0.00317931/step Wall: 2990.46, 0.00317931/step, 3.57672 hours remaining, 238.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 950000 3962.2862 20550.4366 14478.9049 260.2848 -203202.0808 2702.6736 0.0000 0.0000 52136.5583 -109110.9364 299.6295 -161247.4947 -108754.2921 299.6599 257.2369 283.0498 761507.4413 0.0406 0.0351 PRESSURE: 950200 -5.26216 94.5221 179.2 94.5229 17.4389 25.6939 179.199 25.6921 -161.933 GPRESSURE: 950200 75.2155 61.6395 98.4965 104.208 14.8525 -27.1007 160.468 -24.8263 -147.006 PRESSAVG: 950200 13.1151 -37.4126 8.51248 -37.4125 -11.6238 -50.9449 8.51246 -50.9448 16.613 GPRESSAVG: 950200 12.8015 -39.5293 7.38549 -38.3839 -11.206 -51.3143 10.0371 -51.9275 17.0439 TIMING: 950200 CPU: 2991.09, 0.00315656/step Wall: 2991.09, 0.00315656/step, 3.55096 hours remaining, 238.003906 MB of memory in use. ENERGY: 950200 3957.9575 20686.1568 14513.2351 248.6934 -203071.7556 2624.8264 0.0000 0.0000 52165.6680 -108875.2184 299.7968 -161040.8864 -108520.9292 299.5914 -49.9188 -18.9795 762838.0158 6.0348 6.2131 PRESSURE: 950400 -121.096 -71.7589 112.82 -71.7591 -130.312 46.4421 112.82 46.4422 -201.807 GPRESSURE: 950400 -157.022 -33.2725 166.002 -44.7991 -116.119 -33.7341 94.8886 87.4705 -97.1359 PRESSAVG: 950400 48.2155 -30.8235 3.38246 -30.8235 -32.1576 -82.4666 3.38245 -82.4666 25.247 GPRESSAVG: 950400 48.7486 -29.9865 4.89418 -28.5611 -32.1132 -84.1796 3.9881 -82.5064 24.8962 TIMING: 950400 CPU: 2991.72, 0.00315396/step Wall: 2991.72, 0.00315396/step, 3.54786 hours remaining, 238.003906 MB of memory in use. ENERGY: 950400 4016.3657 20479.1649 14561.6047 254.0403 -203115.8667 2472.3734 0.0000 0.0000 52275.9751 -109056.3425 300.4307 -161332.3177 -108688.5563 300.3489 -151.0716 -123.4257 760912.8768 13.7683 13.8439 PRESSURE: 950600 60.9582 -19.9283 -98.7308 -19.9277 -383.866 -47.8473 -98.7315 -47.8485 114.904 GPRESSURE: 950600 63.5729 -16.1106 -86.0202 -197.964 -328.321 -32.4089 -28.9943 6.75668 130.144 PRESSAVG: 950600 20.844 5.5799 3.86938 5.57993 -57.8012 -44.2543 3.86929 -44.2544 19.9597 GPRESSAVG: 950600 20.3946 5.60842 2.71786 5.49086 -56.7775 -42.8289 5.01424 -43.5243 19.0794 TIMING: 950600 CPU: 2992.35, 0.00315662/step Wall: 2992.35, 0.00315662/step, 3.55068 hours remaining, 238.003906 MB of memory in use. ENERGY: 950600 3977.3434 20576.1080 14514.3847 228.1728 -203188.1235 2592.0754 0.0000 0.0000 52030.6549 -109269.3844 299.0209 -161300.0393 -108911.4066 300.0933 -69.3344 -44.8678 761469.5015 -5.6658 -5.7678 PRESSURE: 950800 -232.044 -17.3924 -209.475 -17.3918 -530.814 -22.8523 -209.474 -22.8537 -13.6832 GPRESSURE: 950800 -254.187 2.3729 -132.657 -63.8817 -369.817 -60.1555 -323.565 22.7662 -64.0835 PRESSAVG: 950800 -17.2358 9.81361 25.884 9.81355 -6.93257 -39.8463 25.884 -39.8464 -28.6827 GPRESSAVG: 950800 -16.5664 7.66561 27.1922 9.90212 -7.28506 -40.4782 23.3286 -38.8291 -29.515 TIMING: 950800 CPU: 2992.98, 0.00315122/step Wall: 2992.98, 0.00315122/step, 3.54442 hours remaining, 238.003906 MB of memory in use. ENERGY: 950800 3988.9956 20569.1682 14398.3618 257.8956 -203117.4334 2368.8271 0.0000 0.0000 52078.6575 -109455.5275 299.2968 -161534.1851 -109099.0735 299.1032 -258.8472 -229.3624 762303.1044 -17.6170 -17.7888 PRESSURE: 951000 -117.605 105.47 -203.381 105.47 -45.7031 27.1714 -203.381 27.1706 117.513 GPRESSURE: 951000 -69.3048 169.348 -141.389 113.052 -43.6629 -21.9046 -68.2403 -123.025 130.002 PRESSAVG: 951000 70.1233 -1.86219 -12.9499 -1.86219 -24.7363 -10.3987 -12.9499 -10.3987 19.6718 GPRESSAVG: 951000 69.4869 2.2104 -13.3529 -2.40433 -25.328 -9.59329 -11.5297 -12.7802 21.1305 TIMING: 951000 CPU: 2993.61, 0.00316767/step Wall: 2993.61, 0.00316767/step, 3.56275 hours remaining, 238.003906 MB of memory in use. ENERGY: 951000 4025.6393 20503.7701 14435.9684 247.2663 -203148.9163 2401.3219 0.0000 0.0000 52059.7362 -109475.2140 299.1880 -161534.9502 -109116.3287 299.4055 -15.2651 5.6781 761152.4141 21.6863 21.7631 PRESSURE: 951200 -206.219 5.82797 142.388 5.82738 -13.3649 46.4804 142.388 46.4809 235.106 GPRESSURE: 951200 -219.192 61.3604 172.344 -35.3263 11.5162 87.5248 194.166 9.59124 315.91 PRESSAVG: 951200 -15.0723 -28.1916 55.776 -28.1915 3.54028 18.6891 55.776 18.689 -7.8207 GPRESSAVG: 951200 -16.0119 -32.2677 55.8192 -28.5554 3.84098 19.3385 54.1402 20.5623 -7.19888 TIMING: 951200 CPU: 2994.24, 0.00314828/step Wall: 2994.24, 0.00314828/step, 3.54077 hours remaining, 238.003906 MB of memory in use. ENERGY: 951200 4089.8977 20394.1434 14522.3905 251.7468 -203192.4852 2577.6481 0.0000 0.0000 51966.9441 -109389.7145 298.6547 -161356.6586 -109027.0734 299.4445 5.1738 36.0780 760805.3390 -6.4509 -6.4566 PRESSURE: 951400 -447.791 -4.82099 9.05828 -4.82102 66.6819 32.2667 9.05797 32.2653 -76.2273 GPRESSURE: 951400 -304.475 -3.74723 58.3756 -81.953 43.4239 -62.7878 -45.4936 45.9967 -103.671 PRESSAVG: 951400 -4.94297 27.4726 49.5288 27.4726 -7.97925 -13.2429 49.5289 -13.2429 -23.5344 GPRESSAVG: 951400 -3.19114 29.3627 49.6658 24.693 -8.30188 -13.8289 51.78 -13.8908 -25.4803 TIMING: 951400 CPU: 2994.87, 0.00315119/step Wall: 2994.87, 0.00315119/step, 3.54386 hours remaining, 238.003906 MB of memory in use. ENERGY: 951400 4056.8266 20610.4203 14409.5294 262.8152 -203326.1336 2641.1975 0.0000 0.0000 51911.7042 -109433.6404 298.3373 -161345.3446 -109077.5656 299.4624 -152.4455 -121.5740 761633.0686 -12.1522 -12.3244 PRESSURE: 951600 -118.848 -76.3434 5.08533 -76.3444 -376.904 107.744 5.08585 107.744 -405.443 GPRESSURE: 951600 -116.936 -126.743 46.8148 18.6169 -310.056 52.171 -38.211 68.9389 -386.813 PRESSAVG: 951600 5.3731 -50.1329 5.8988 -50.1328 4.1939 39.5307 5.89885 39.5308 6.19102 GPRESSAVG: 951600 5.61161 -51.1192 4.70188 -45.3355 3.53385 39.215 4.95904 38.0441 7.06718 TIMING: 951600 CPU: 2995.51, 0.00316293/step Wall: 2995.51, 0.00316293/step, 3.55689 hours remaining, 238.003906 MB of memory in use. ENERGY: 951600 3941.7127 20496.9327 14496.1349 249.9370 -203196.5206 2322.2156 0.0000 0.0000 52315.0726 -109374.5150 300.6554 -161689.5877 -109012.3561 299.4525 -300.3983 -271.2682 761872.9560 5.2527 5.4042 PRESSURE: 951800 4.31768 36.4577 161.602 36.4591 44.7863 40.1806 161.601 40.1808 -146.47 GPRESSURE: 951800 137.025 13.3557 170.092 61.0597 113.96 45.2782 161.61 150.998 -257.191 PRESSAVG: 951800 -3.73498 -4.1287 59.1915 -4.12877 18.2794 8.38864 59.1914 8.38864 8.58674 GPRESSAVG: 951800 -4.86449 -3.42878 59.0476 -5.25397 19.0177 8.15608 58.7643 10.7074 9.32176 TIMING: 951800 CPU: 2996.14, 0.00315587/step Wall: 2996.14, 0.00315586/step, 3.54877 hours remaining, 238.003906 MB of memory in use. ENERGY: 951800 4009.1788 20476.6183 14443.5320 248.8434 -203054.9130 2298.7663 0.0000 0.0000 51925.7471 -109652.2271 298.4180 -161577.9741 -109287.4627 299.1888 -32.4553 -2.0689 760115.9418 7.7104 7.8250 PRESSURE: 952000 -189.401 -115.185 -216.032 -115.185 423.455 -252.237 -216.031 -252.236 102.233 GPRESSURE: 952000 -31.1444 -148.549 -242.191 -142.262 436.656 -253.103 -238.632 -248.932 3.33002 PRESSAVG: 952000 -60.4004 -6.18685 12.7847 -6.18685 26.8757 -26.6517 12.7847 -26.6517 5.14707 GPRESSAVG: 952000 -58.7715 -4.19771 13.5797 -8.63706 26.157 -25.1193 13.3501 -26.8176 4.45066 TIMING: 952000 CPU: 2996.77, 0.00316082/step Wall: 2996.77, 0.00316082/step, 3.55417 hours remaining, 238.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 952000 4023.1710 20370.9515 14393.0701 251.8176 -203416.2581 2677.5911 0.0000 0.0000 52036.4600 -109663.1968 299.0543 -161699.6568 -109298.2891 298.8612 112.0957 136.2805 761870.4415 -9.4592 -9.3879 PRESSURE: 952200 -198.856 82.7116 4.48882 82.7116 -56.5548 301.44 4.48889 301.439 -313.768 GPRESSURE: 952200 -224.332 152.277 -134.568 117.748 10.7937 231.805 -48.6393 186.86 -302.541 PRESSAVG: 952200 -18.5291 51.2631 -4.34426 51.263 24.3841 -1.7074 -4.34422 -1.70736 -24.0664 GPRESSAVG: 952200 -19.9718 49.8303 -6.87748 51.3842 25.6206 -3.15073 -5.15872 -4.49226 -23.494 TIMING: 952200 CPU: 2997.4, 0.00317711/step Wall: 2997.4, 0.00317711/step, 3.5723 hours remaining, 238.003906 MB of memory in use. ENERGY: 952200 4019.2371 20420.4952 14418.2297 246.6731 -203346.7775 2494.9427 0.0000 0.0000 51984.2988 -109762.9009 298.7545 -161747.1997 -109398.2822 298.5647 -189.7262 -172.0262 762021.8245 -6.0705 -5.9484 LDB: ============= START OF LOAD BALANCING ============== 3009.8 LDB: ============== END OF LOAD BALANCING =============== 3009.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3009.81 LDB: ============= START OF LOAD BALANCING ============== 3010.12 LDB: Largest compute 7077 load 0.031942 is 16.3% of average load 0.195904 LDB: Average compute 0.004381 is 2.2% of average load 0.195904 LDB: TIME 3010.12 LOAD: AVG 0.195904 MAX 0.214849 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.75 MB LDB: TIME 3010.13 LOAD: AVG 0.195904 MAX 0.214849 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.957 MB LDB: TIME 3010.13 LOAD: AVG 0.195904 MAX 0.214849 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.957 MB LDB: ============== END OF LOAD BALANCING =============== 3010.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3010.13 PRESSURE: 952400 72.4019 77.5896 171.685 77.5891 129.346 5.97288 171.686 5.97206 -148.213 GPRESSURE: 952400 113.644 26.5294 105.547 31.0191 193.307 38.2818 160.764 1.42994 -160.232 PRESSAVG: 952400 0.162127 -22.4708 -22.8128 -22.4708 21.9178 4.11338 -22.8127 4.11332 2.96451 GPRESSAVG: 952400 1.54214 -22.5575 -21.3989 -20.777 21.0863 4.61339 -21.9079 3.97686 2.80062 TIMING: 952400 CPU: 2998.05, 0.00322706/step Wall: 2998.05, 0.00322706/step, 3.62829 hours remaining, 235.238281 MB of memory in use. ENERGY: 952400 4072.0341 20367.3010 14413.3682 238.8636 -203399.2796 2818.1768 0.0000 0.0000 51739.5267 -109750.0092 297.3478 -161489.5359 -109391.0360 297.9594 17.8450 48.9064 761366.7459 8.3481 8.4764 PRESSURE: 952600 -12.1166 74.6513 122.799 74.6515 120.722 89.82 122.799 89.8201 -39.9374 GPRESSURE: 952600 76.6525 111.461 206.173 -5.39715 117.514 52.2725 83.9659 51.5476 -43.9398 PRESSAVG: 952600 -12.1795 3.91119 -22.2494 3.91119 47.7369 7.56218 -22.2494 7.56217 -2.35324 GPRESSAVG: 952600 -14.1326 3.30996 -22.7444 2.96567 49.1258 7.58456 -22.189 11.2228 -2.54936 TIMING: 952600 CPU: 2998.68, 0.00316521/step Wall: 2998.68, 0.00316521/step, 3.55858 hours remaining, 235.480469 MB of memory in use. ENERGY: 952600 3933.2592 20510.7254 14485.3507 229.5630 -203386.7585 2553.3048 0.0000 0.0000 51985.0364 -109689.5190 298.7587 -161674.5554 -109323.4279 298.3065 22.8893 50.0757 760909.8769 11.0681 10.8146 PRESSURE: 952800 -70.246 -91.1897 67.7807 -91.1901 -97.2547 180.075 67.7799 180.076 -197.721 GPRESSURE: 952800 0.824301 29.3574 75.4527 -39.3528 -133.334 117.979 -7.11069 74.3524 -156.5 PRESSAVG: 952800 -82.9489 13.1498 9.64272 13.1498 64.5236 32.3501 9.64267 32.3501 10.9365 GPRESSAVG: 952800 -82.4121 14.9986 11.2078 11.2588 63.5052 31.8494 10.0801 31.7322 11.7373 TIMING: 952800 CPU: 2999.32, 0.00316756/step Wall: 2999.32, 0.00316756/step, 3.56104 hours remaining, 235.480469 MB of memory in use. ENERGY: 952800 4015.8629 20553.3370 14474.9775 243.5550 -203626.7803 2833.5480 0.0000 0.0000 51799.7745 -109705.7254 297.6940 -161505.4999 -109340.1398 298.4049 -121.7405 -96.3367 762458.2657 -2.4962 -2.3899 PRESSURE: 953000 175.104 43.7237 64.3869 43.7239 134.06 -70.3442 64.3879 -70.3419 110.768 GPRESSURE: 953000 254.806 46.1131 59.2649 76.198 109.324 -48.7943 109.242 -235.517 152.911 PRESSAVG: 953000 42.9946 -25.8926 3.68136 -25.8926 -27.8045 -8.06609 3.68141 -8.0661 -2.92988 GPRESSAVG: 953000 43.7556 -25.7352 0.381628 -23.9917 -29.3773 -7.64693 4.46608 -10.3977 -2.32004 TIMING: 953000 CPU: 2999.95, 0.00318135/step Wall: 2999.95, 0.00318135/step, 3.57636 hours remaining, 235.480469 MB of memory in use. ENERGY: 953000 3903.9669 20423.9917 14457.6598 244.0100 -203139.8083 2507.0433 0.0000 0.0000 51999.4119 -109603.7247 298.8413 -161603.1366 -109251.2314 298.5775 139.9771 172.3468 760645.4693 4.0867 4.0194 PRESSURE: 953200 -246.772 -153.443 -79.8378 -153.444 131.929 -0.00527565 -79.8372 -0.00594583 72.7372 GPRESSURE: 953200 -95.1146 -214.259 37.5424 -261.452 120.451 13.1745 -134.045 -52.6464 30.4061 PRESSAVG: 953200 -4.01968 -19.7326 -26.9388 -19.7326 -9.67685 24.1892 -26.9389 24.1893 12.0227 GPRESSAVG: 953200 -3.49622 -20.4094 -24.4192 -20.5103 -8.31616 23.7451 -26.9319 24.1409 9.6175 TIMING: 953200 CPU: 3000.59, 0.00316179/step Wall: 3000.59, 0.00316179/step, 3.5542 hours remaining, 235.480469 MB of memory in use. ENERGY: 953200 3858.8577 20437.1402 14417.0539 233.8365 -202587.8659 2207.0866 0.0000 0.0000 52102.2160 -109331.6750 299.4322 -161433.8909 -108969.4306 299.1275 -14.0355 18.5807 762521.0938 -0.5580 -0.7316 PRESSURE: 953400 179.134 -121.659 -103.721 -121.659 -29.7957 -15.7727 -103.721 -15.7722 149.332 GPRESSURE: 953400 128.47 -109.379 -70.506 -80.1146 69.5507 8.37969 -29.6064 -88.7051 182.627 PRESSAVG: 953400 11.9569 -6.44357 -41.436 -6.44355 -30.2906 -39.9985 -41.436 -39.9986 10.2386 GPRESSAVG: 953400 10.7302 -7.58218 -39.9674 -6.1549 -29.9036 -38.2227 -43.2974 -39.6841 11.4504 TIMING: 953400 CPU: 3001.22, 0.00316055/step Wall: 3001.22, 0.00316055/step, 3.55263 hours remaining, 235.480469 MB of memory in use. ENERGY: 953400 3930.3090 20476.0685 14422.3994 256.3760 -203285.7016 2523.4030 0.0000 0.0000 52249.4488 -109427.6968 300.2783 -161677.1456 -109063.5620 299.3788 99.5568 126.8826 762711.3824 -2.6984 -2.5743 PRESSURE: 953600 -39.742 -89.6557 11.6577 -89.6559 112.568 -166.043 11.6568 -166.043 197.81 GPRESSURE: 953600 35.8834 -57.0411 -3.86606 -113.341 120.742 -184.822 -113.308 -123.964 211.615 PRESSAVG: 953600 13.0991 -31.4351 -40.9012 -31.4351 -40.4495 18.7002 -40.9012 18.7001 7.13981 GPRESSAVG: 953600 14.6703 -30.0712 -41.7336 -31.6041 -41.5887 16.0216 -39.3227 21.0711 6.62334 TIMING: 953600 CPU: 3001.85, 0.00317698/step Wall: 3001.85, 0.00317698/step, 3.57092 hours remaining, 235.480469 MB of memory in use. ENERGY: 953600 3930.8613 20207.8004 14484.2455 256.8663 -203093.5833 2633.6096 0.0000 0.0000 52302.4553 -109277.7449 300.5829 -161580.2002 -108909.5917 299.1209 90.2120 122.7469 762789.0192 -6.7369 -6.7650 PRESSURE: 953800 205.859 206.217 -53.0253 206.218 -10.1498 -8.72553 -53.0259 -8.72492 -183.861 GPRESSURE: 953800 176.167 187.477 29.6482 111.398 66.9588 -107.747 -118.879 -104.013 -137.531 PRESSAVG: 953800 -33.4347 -45.3743 -9.02585 -45.3742 -15.1925 25.7053 -9.02581 25.7053 8.59787 GPRESSAVG: 953800 -34.631 -46.8338 -7.83435 -44.5018 -14.7757 26.2985 -9.58502 24.6122 9.68108 TIMING: 953800 CPU: 3002.49, 0.00317111/step Wall: 3002.49, 0.00317111/step, 3.56415 hours remaining, 235.480469 MB of memory in use. ENERGY: 953800 4005.9736 20425.0667 14467.4865 245.5660 -202968.5549 2528.6006 0.0000 0.0000 51902.8654 -109392.9962 298.2865 -161295.8616 -109030.6313 299.1718 3.9495 35.1980 762148.9178 -13.3431 -13.2419 PRESSURE: 954000 -196.828 52.1847 14.5317 52.1849 -74.0327 193.051 14.5324 193.051 -94.6178 GPRESSURE: 954000 -96.7114 26.7328 26.0172 89.5257 -94.3082 164.462 81.0314 8.25594 -93.0507 PRESSAVG: 954000 -22.7631 -53.949 28.301 -53.949 52.0444 59.3909 28.3009 59.3908 1.29487 GPRESSAVG: 954000 -21.7078 -53.1208 28.1244 -53.4625 51.5123 60.4952 25.8171 59.6869 -0.118047 TIMING: 954000 CPU: 3003.12, 0.00315163/step Wall: 3003.12, 0.00315163/step, 3.54208 hours remaining, 235.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 954000 3914.5292 20395.0533 14492.3026 251.7466 -203217.3500 2818.4007 0.0000 0.0000 51975.7658 -109369.5519 298.7054 -161345.3177 -109011.2756 299.2479 -121.8261 -94.6901 764204.7199 10.1920 9.8955 PRESSURE: 954200 -178.826 -59.0201 -93.9286 -59.0201 -4.88709 166.942 -93.9277 166.94 -169.733 GPRESSURE: 954200 -161.597 -58.9477 -80.3718 -153.706 25.5398 100.652 -58.0995 173.32 -117.946 PRESSAVG: 954200 52.9462 22.3955 -2.71704 22.3955 -41.6152 2.77711 -2.71702 2.77699 -5.94379 GPRESSAVG: 954200 50.5599 20.7257 -2.46622 22.1789 -40.9908 0.856826 1.22085 2.33211 -4.16087 TIMING: 954200 CPU: 3003.75, 0.00314584/step Wall: 3003.75, 0.00314584/step, 3.5354 hours remaining, 235.480469 MB of memory in use. ENERGY: 954200 3957.4637 20552.2693 14470.2036 239.4490 -203405.9593 2581.3104 0.0000 0.0000 52166.0354 -109439.2281 299.7989 -161605.2634 -109082.1481 298.9835 -117.8151 -84.6676 762768.6118 1.7957 1.8028 PRESSURE: 954400 104.245 -19.588 -106.159 -19.5883 116.467 -136.062 -106.158 -136.062 198.308 GPRESSURE: 954400 124.9 -0.823625 -73.2099 -4.63715 211.555 -100.26 -94.546 -8.31333 153.077 PRESSAVG: 954400 2.95175 0.21519 -17.8059 0.215185 -7.06002 -34.4684 -17.806 -34.4683 2.08153 GPRESSAVG: 954400 3.6526 3.72775 -19.6553 -2.43635 -6.19958 -32.2048 -20.213 -33.215 -0.190538 TIMING: 954400 CPU: 3004.37, 0.00313663/step Wall: 3004.37, 0.00313663/step, 3.52487 hours remaining, 235.480469 MB of memory in use. ENERGY: 954400 3914.8414 20405.6127 14432.1392 240.9465 -203161.0103 2919.2913 0.0000 0.0000 51743.5268 -109504.6523 297.3708 -161248.1791 -109154.6766 299.2286 139.6736 163.1773 762869.4325 -0.6756 -0.9125 PRESSURE: 954600 -26.8349 215.774 91.9021 215.774 -9.93593 100.687 91.9022 100.688 -31.1904 GPRESSURE: 954600 2.74062 169.298 97.4985 150.41 -0.264673 45.8378 102.372 -120.549 3.69907 PRESSAVG: 954600 -22.3207 -28.5767 8.55394 -28.5767 9.36003 20.6146 8.55391 20.6146 0.218168 GPRESSAVG: 954600 -20.5462 -31.1109 8.97319 -26.9604 6.10534 19.5622 10.3582 18.669 2.28758 TIMING: 954600 CPU: 3005, 0.00313283/step Wall: 3005, 0.00313283/step, 3.52043 hours remaining, 235.480469 MB of memory in use. ENERGY: 954600 3891.0923 20462.7446 14393.8000 229.2806 -203367.7435 2866.4968 0.0000 0.0000 52135.7647 -109388.5645 299.6250 -161524.3292 -109029.3042 298.7387 -22.6537 2.0583 763526.2781 -4.2475 -4.0511 PRESSURE: 954800 -127.09 112.609 47.5097 112.608 284.554 111.823 47.509 111.824 150.239 GPRESSURE: 954800 -177.616 172.497 104.595 76.0003 288.703 56.6119 36.4076 125.775 270.608 PRESSAVG: 954800 -44.122 -29.5113 -22.0149 -29.5113 55.8254 9.35091 -22.0149 9.35094 22.4552 GPRESSAVG: 954800 -45.673 -26.5339 -22.4544 -30.3712 58.4495 8.6347 -24.0947 8.26871 21.3188 TIMING: 954800 CPU: 3005.63, 0.00314212/step Wall: 3005.63, 0.00314212/step, 3.53069 hours remaining, 235.480469 MB of memory in use. ENERGY: 954800 4006.2953 20535.4797 14467.1007 260.3291 -203621.0672 2722.3037 0.0000 0.0000 52493.4459 -109136.1128 301.6806 -161629.5587 -108779.6620 300.1631 102.5679 127.2319 761759.6944 11.3862 11.3651 PRESSURE: 955000 67.8287 222.37 -145.715 222.37 -267.919 39.0664 -145.715 39.0663 -161.085 GPRESSURE: 955000 127.038 118.489 -142.051 116.227 -190.803 120.046 -53.7784 -57.2311 -200.988 PRESSAVG: 955000 -5.2208 -35.3221 52.9006 -35.3222 -8.2306 18.19 52.9006 18.19 -3.41248 GPRESSAVG: 955000 -4.53295 -36.6254 53.813 -34.6495 -8.93172 17.9405 54.1966 19.2185 -3.38325 TIMING: 955000 CPU: 3006.26, 0.00313459/step Wall: 3006.26, 0.00313459/step, 3.52206 hours remaining, 235.480469 MB of memory in use. ENERGY: 955000 4004.6798 20436.4210 14454.1704 243.1108 -202996.6000 2566.8408 0.0000 0.0000 52230.2318 -109061.1453 300.1679 -161291.3771 -108691.1989 300.2518 -120.3918 -88.2511 762435.4480 -5.6213 -5.6160 PRESSURE: 955200 -68.6222 -193.736 -177.685 -193.736 23.2101 27.3587 -177.685 27.3589 271.699 GPRESSURE: 955200 -67.1292 -174.54 -71.7857 -42.2374 14.5026 105.773 -259.199 -118.404 334.179 PRESSAVG: 955200 -33.2656 -46.0517 -13.9614 -46.0517 58.7913 29.3689 -13.9613 29.3689 -0.144672 GPRESSAVG: 955200 -32.6335 -46.1478 -14.5535 -45.6097 57.61 31.2807 -13.2117 27.3938 0.562351 TIMING: 955200 CPU: 3006.88, 0.00314627/step Wall: 3006.88, 0.00314627/step, 3.53501 hours remaining, 235.480469 MB of memory in use. ENERGY: 955200 3965.6840 20505.7680 14453.7001 251.4370 -203379.6242 2810.5847 0.0000 0.0000 52187.2171 -109205.2333 299.9207 -161392.4504 -108838.8495 299.6151 75.4289 93.8506 761402.1508 8.4604 8.5129 PRESSURE: 955400 -441.197 141.615 -29.1014 141.615 -150.575 -60.313 -29.1018 -60.3137 -290.011 GPRESSURE: 955400 -336.235 107.777 -47.695 -18.1391 -171.872 -63.0376 68.2953 34.1848 -306.939 PRESSAVG: 955400 2.23477 -35.634 -20.248 -35.634 -0.753791 6.23925 -20.248 6.23929 15.0098 GPRESSAVG: 955400 1.66075 -37.2303 -19.1038 -36.7553 1.30415 5.04332 -20.8743 8.46842 13.8633 TIMING: 955400 CPU: 3007.52, 0.00315749/step Wall: 3007.52, 0.00315749/step, 3.54744 hours remaining, 235.480469 MB of memory in use. ENERGY: 955400 3977.9512 20629.6493 14492.6409 252.5364 -203145.5152 2553.8578 0.0000 0.0000 51866.6748 -109372.2048 298.0785 -161238.8796 -109018.4045 299.6556 -293.9277 -271.6819 762185.0508 5.4969 5.6094 PRESSURE: 955600 -108.85 -0.39059 66.9537 -0.390822 -211.621 -138.888 66.9535 -138.887 185.728 GPRESSURE: 955600 -56.3007 -144.469 -61.3143 21.5348 -157.413 -90.0886 136.653 -180.032 162.77 PRESSAVG: 955600 22.6257 -29.3166 -16.1988 -29.3166 -41.7178 29.7535 -16.1988 29.7536 12.419 GPRESSAVG: 955600 23.2603 -27.9692 -17.1616 -30.3901 -42.5123 28.8975 -16.1027 30.8059 12.869 TIMING: 955600 CPU: 3008.14, 0.00314075/step Wall: 3008.14, 0.00314075/step, 3.52846 hours remaining, 235.480469 MB of memory in use. ENERGY: 955600 4013.5653 20459.3958 14507.8078 226.4977 -203285.9244 2627.1944 0.0000 0.0000 52279.7380 -109171.7254 300.4524 -161451.4633 -108813.7929 299.1640 -44.9143 -16.9812 761736.1887 -2.2243 -2.1277 PRESSURE: 955800 -262.175 34.0777 -14.1004 34.0776 251.424 149.364 -14.1003 149.364 85.8688 GPRESSURE: 955800 -218.41 110.034 -62.561 96.9522 280.325 78.062 -118.027 107.618 125.528 PRESSAVG: 955800 27.0577 -32.7693 35.9739 -32.7693 16.481 -12.2414 35.974 -12.2413 -4.94768 GPRESSAVG: 955800 26.7294 -30.962 36.3972 -30.7656 16.9983 -11.3446 35.6163 -14.8686 -4.45987 TIMING: 955800 CPU: 3008.78, 0.00315766/step Wall: 3008.78, 0.00315766/step, 3.54728 hours remaining, 235.480469 MB of memory in use. ENERGY: 955800 4032.7707 20371.4131 14523.4030 248.6525 -203408.8975 2853.1764 0.0000 0.0000 52083.0077 -109296.4741 299.3218 -161379.4817 -108943.7556 299.8893 25.0395 62.4810 760974.9934 12.8637 13.0893 PRESSURE: 956000 -284.507 -65.6798 1.51844 -65.6799 -319.964 -165.526 1.51849 -165.526 244.149 GPRESSURE: 956000 -252.692 -87.1951 25.0515 -129.356 -255.563 -67.0146 5.54287 -64.4772 230.502 PRESSAVG: 956000 55.6539 6.40608 -35.0584 6.40594 -28.3459 8.502 -35.0584 8.50198 18.3321 GPRESSAVG: 956000 57.5382 4.99255 -33.7796 5.12018 -29.5626 8.75306 -34.7715 7.89822 17.666 TIMING: 956000 CPU: 3009.41, 0.00315006/step Wall: 3009.41, 0.00315006/step, 3.53856 hours remaining, 235.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 956000 3954.3703 20446.4632 14445.1131 262.1064 -203182.7439 2463.4669 0.0000 0.0000 52380.7017 -109230.5222 301.0326 -161611.2240 -108872.6802 299.8821 -120.1075 -92.5844 762928.4546 15.2134 15.2139 PRESSURE: 956200 -79.2713 -68.9041 -107.157 -68.9039 -102.393 -119.537 -107.156 -119.536 -95.2176 GPRESSURE: 956200 -86.0539 -76.1827 -74.8705 -95.4533 -10.4484 -36.0484 -83.2417 -147.26 -118.844 PRESSAVG: 956200 1.71345 -8.22291 -1.85275 -8.22293 -27.7988 -76.282 -1.85282 -76.282 12.9644 GPRESSAVG: 956200 -0.300358 -10.2143 -3.53759 -6.02413 -27.4856 -77.8142 -2.34766 -73.2056 14.5335 TIMING: 956200 CPU: 3010.03, 0.00313886/step Wall: 3010.03, 0.00313886/step, 3.52581 hours remaining, 235.480469 MB of memory in use. ENERGY: 956200 4013.1989 20509.5517 14477.2328 250.4615 -203030.8958 2591.9372 0.0000 0.0000 52013.4279 -109175.0857 298.9219 -161188.5136 -108819.5457 299.4729 -92.2941 -71.7822 763272.3404 -4.3737 -4.4175 LDB: ============= START OF LOAD BALANCING ============== 3022.43 LDB: ============== END OF LOAD BALANCING =============== 3022.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3022.43 LDB: ============= START OF LOAD BALANCING ============== 3022.75 LDB: Largest compute 7035 load 0.033185 is 17.0% of average load 0.195778 LDB: Average compute 0.004370 is 2.2% of average load 0.195778 LDB: TIME 3022.75 LOAD: AVG 0.195778 MAX 0.216658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.746 MB LDB: TIME 3022.75 LOAD: AVG 0.195778 MAX 0.216658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.949 MB LDB: TIME 3022.75 LOAD: AVG 0.195778 MAX 0.216658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.949 MB LDB: ============== END OF LOAD BALANCING =============== 3022.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3022.76 PRESSURE: 956400 -40.0947 -145.204 -58.1611 -145.203 -261.276 -15.1422 -58.1615 -15.1417 -272.908 GPRESSURE: 956400 -17.4898 -92.5363 -138.757 -149.359 -195.674 59.6687 -58.2313 83.4407 -298.28 PRESSAVG: 956400 40.7737 -22.5529 -17.2096 -22.5529 -7.87193 -10.746 -17.2097 -10.746 -18.3931 GPRESSAVG: 956400 41.138 -21.6928 -16.3949 -25.3134 -7.12764 -10.718 -16.7108 -12.6075 -19.0065 TIMING: 956400 CPU: 3010.68, 0.00320787/step Wall: 3010.68, 0.00320787/step, 3.60315 hours remaining, 236.464844 MB of memory in use. ENERGY: 956400 3995.5407 20557.7021 14463.7348 270.5928 -202620.1975 2128.8893 0.0000 0.0000 51998.2787 -109205.4591 298.8348 -161203.7378 -108856.8519 299.2090 -191.4264 -170.4813 762354.4377 4.8362 5.0013 PRESSURE: 956600 -397.633 -204.626 29.3755 -204.626 39.1239 -52.9351 29.3757 -52.9356 -553.819 GPRESSURE: 956600 -399.05 -112.224 53.8059 -72.4102 9.80807 -21.7511 18.1141 -111.921 -443.376 PRESSAVG: 956600 -11.344 -41.9585 6.4283 -41.9585 -5.52521 -15.8391 6.42833 -15.8391 -13.0644 GPRESSAVG: 956600 -10.0956 -41.9378 6.76631 -40.2735 -6.91775 -15.8865 5.28596 -15.144 -12.9429 TIMING: 956600 CPU: 3011.31, 0.00314999/step Wall: 3011.31, 0.00314999/step, 3.53796 hours remaining, 236.464844 MB of memory in use. ENERGY: 956600 3998.8780 20603.8964 14452.1152 233.1849 -203106.3945 2603.4219 0.0000 0.0000 52112.5858 -109102.3122 299.4917 -161214.8980 -108741.0708 299.8083 -304.1092 -277.5393 762400.1442 -9.9779 -9.9854 PRESSURE: 956800 -20.4069 39.17 -31.679 39.1705 -475.571 -43.6344 -31.678 -43.6339 -13.2253 GPRESSURE: 956800 -53.3414 9.29048 -86.6255 141.819 -313.629 -29.508 -9.24118 40.1312 -50.7469 PRESSAVG: 956800 28.297 -45.3556 -3.0218 -45.3555 -57.3139 14.4095 -3.02173 14.4095 -17.4383 GPRESSAVG: 956800 26.9308 -43.4724 -3.62027 -45.6966 -55.3279 15.2643 -1.85026 14.9109 -18.439 TIMING: 956800 CPU: 3011.93, 0.00314325/step Wall: 3011.93, 0.00314325/step, 3.53022 hours remaining, 236.464844 MB of memory in use. ENERGY: 956800 3992.6163 20479.2972 14515.1336 245.0756 -203192.5425 2571.8105 0.0000 0.0000 52115.6523 -109272.9570 299.5094 -161388.6093 -108905.2299 299.7741 -169.7344 -139.2390 763236.0445 -15.4850 -15.6120 PRESSURE: 957000 -655.797 73.8344 207.803 73.8345 -139.745 205.397 207.803 205.399 -171.749 GPRESSURE: 957000 -625.055 -54.359 122.685 55.8608 -50.0592 183.059 146.635 90.4794 -211.562 PRESSAVG: 957000 30.3212 -3.30148 10.325 -3.30152 -24.1631 -10.0941 10.3251 -10.0941 6.81903 GPRESSAVG: 957000 31.3783 -5.88443 11.7325 -2.1107 -25.3592 -9.74396 9.92992 -10.4944 6.90526 TIMING: 957000 CPU: 3012.56, 0.00315517/step Wall: 3012.56, 0.00315517/step, 3.54344 hours remaining, 236.464844 MB of memory in use. ENERGY: 957000 3995.2154 20459.4024 14468.0425 243.2906 -202798.4387 2105.2850 0.0000 0.0000 52161.4226 -109365.7803 299.7724 -161527.2029 -108999.9252 299.3353 -322.4302 -295.5588 762205.3013 4.3257 4.3081 PRESSURE: 957200 16.0204 -100.224 -23.7682 -100.224 -349.885 73.1899 -23.7683 73.19 -85.674 GPRESSURE: 957200 39.6958 -92.0588 25.6595 -105.401 -306.606 76.9359 10.2287 121.424 -66.0857 PRESSAVG: 957200 58.958 28.1532 -15.1156 28.1532 -18.7038 -28.3924 -15.1156 -28.3923 23.0478 GPRESSAVG: 957200 58.4035 29.084 -16.5451 26.854 -18.8935 -29.3334 -14.3103 -27.5935 23.977 TIMING: 957200 CPU: 3013.19, 0.00314358/step Wall: 3013.19, 0.00314358/step, 3.53024 hours remaining, 236.503906 MB of memory in use. ENERGY: 957200 4118.3612 20521.1099 14530.8526 256.9877 -203206.5958 2557.9439 0.0000 0.0000 51959.8330 -109261.5074 298.6139 -161221.3404 -108903.8364 299.8957 -139.8462 -110.9987 760870.9054 21.1007 21.1623 PRESSURE: 957400 -22.8877 -94.8437 -2.82597 -94.8439 -36.6324 -165.687 -2.8269 -165.687 -180.382 GPRESSURE: 957400 -3.74645 -74.2723 3.89059 -251.432 33.9452 -164.778 -79.8003 -155.617 -194.017 PRESSAVG: 957400 37.9424 -50.5583 1.20035 -50.5583 12.7254 -35.7905 1.20039 -35.7905 0.660395 GPRESSAVG: 957400 38.2435 -50.7177 -0.86183 -50.0601 13.3755 -34.8551 -0.235095 -37.0078 0.0177053 TIMING: 957400 CPU: 3013.83, 0.00315837/step Wall: 3013.83, 0.00315837/step, 3.54667 hours remaining, 236.503906 MB of memory in use. ENERGY: 957400 4013.8069 20616.4398 14606.0741 258.9352 -203544.5351 2686.3586 0.0000 0.0000 52234.4157 -109128.5049 300.1919 -161362.9205 -108772.8225 299.9650 -79.9673 -54.6059 762204.9474 17.1094 17.2122 PRESSURE: 957600 299.252 -46.6173 3.00447 -46.6164 156.007 -10.6067 3.00508 -10.6064 799.695 GPRESSURE: 957600 295.213 41.6221 3.89657 48.5989 154.12 -20.0466 -36.4168 -194.029 883.176 PRESSAVG: 957600 57.7246 29.907 -3.24006 29.9071 -29.3004 3.25244 -3.24001 3.25243 -11.4495 GPRESSAVG: 957600 57.4488 31.058 1.3392 30.4742 -29.6503 2.04859 -5.73449 3.93287 -10.6835 TIMING: 957600 CPU: 3014.46, 0.00318455/step Wall: 3014.46, 0.00318455/step, 3.5759 hours remaining, 236.503906 MB of memory in use. ENERGY: 957600 3942.0587 20544.1127 14542.1907 247.1827 -203708.1114 2847.6779 0.0000 0.0000 52255.6205 -109329.2683 300.3138 -161584.8888 -108967.6061 299.7605 418.3181 444.1698 759988.9386 5.6583 5.7050 PRESSURE: 957800 130.337 -67.6213 -154.296 -67.6214 -173.689 122.132 -154.295 122.133 -189.94 GPRESSURE: 957800 145.129 -74.1509 -241.332 -59.9367 -68.132 -24.9188 -4.9529 66.7071 -215.642 PRESSAVG: 957800 31.5698 6.88324 -18.4595 6.88323 -29.5474 13.2265 -18.4595 13.2266 7.72578 GPRESSAVG: 957800 29.7652 6.33078 -20.7167 7.37727 -28.4396 14.4277 -15.397 13.6478 8.40315 TIMING: 957800 CPU: 3015.09, 0.00316204/step Wall: 3015.09, 0.00316204/step, 3.55044 hours remaining, 236.707031 MB of memory in use. ENERGY: 957800 4005.7410 20616.8676 14512.8940 258.0911 -203848.5945 2754.6042 0.0000 0.0000 52309.5479 -109390.8487 300.6237 -161700.3967 -109018.4396 299.5686 -77.7643 -46.2151 762092.1807 3.2494 3.2429 PRESSURE: 958000 -317.668 -57.1803 -254.502 -57.1804 -56.9309 -200.21 -254.503 -200.209 -186.645 GPRESSURE: 958000 -261.046 -34.817 -244.726 -61.7319 23.1455 -179.221 -237.423 -126.582 -237.971 PRESSAVG: 958000 -38.2759 15.8745 -3.03342 15.8745 50.8749 8.05376 -3.03346 8.05368 17.1804 GPRESSAVG: 958000 -36.4967 16.0851 -2.54104 15.7207 49.4255 6.62811 -3.02174 10.1993 16.9314 TIMING: 958000 CPU: 3015.73, 0.00315908/step Wall: 3015.73, 0.00315908/step, 3.54694 hours remaining, 236.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 958000 4062.9273 20561.6795 14525.8387 252.1666 -202714.4665 2069.5566 0.0000 0.0000 52122.6948 -109119.6029 299.5498 -161242.2977 -108760.0852 299.5763 -187.0812 -158.6236 763542.1792 9.9265 9.9534 PRESSURE: 958200 -81.5666 -4.92365 -73.1099 -4.92426 -24.1004 9.99303 -73.1098 9.99284 -452.613 GPRESSURE: 958200 0.691988 -137.004 -129.894 -18.202 -79.733 46.151 46.4502 76.401 -407.851 PRESSAVG: 958200 49.1641 12.2071 -36.8685 12.2071 -66.6523 16.6545 -36.8685 16.6545 -20.1405 GPRESSAVG: 958200 48.762 12.4434 -39.2874 11.9971 -66.0236 17.3473 -34.7465 14.9949 -19.4314 TIMING: 958200 CPU: 3016.36, 0.00316438/step Wall: 3016.36, 0.00316438/step, 3.55272 hours remaining, 236.707031 MB of memory in use. ENERGY: 958200 4042.7134 20604.4449 14501.4854 253.1248 -202993.8445 2305.5841 0.0000 0.0000 52208.0567 -109078.4351 300.0404 -161286.4918 -108712.4251 299.8586 -186.0932 -162.2973 761846.4798 -12.5429 -12.2310 PRESSURE: 958400 13.0179 -159.083 -120.49 -159.083 -88.292 -19.1424 -120.49 -19.142 -178.253 GPRESSURE: 958400 -12.5041 -214.212 -192.025 -152.228 -23.8859 -40.9572 -183.397 -41.2076 -138.545 PRESSAVG: 958400 22.2695 -7.86396 1.30165 -7.86393 -51.1787 43.1859 1.30169 43.1858 -5.93843 GPRESSAVG: 958400 22.6314 -8.79781 2.38653 -7.52232 -50.2325 43.1993 0.0432768 44.5209 -6.95463 TIMING: 958400 CPU: 3016.99, 0.0031497/step Wall: 3016.99, 0.00314969/step, 3.53606 hours remaining, 236.707031 MB of memory in use. ENERGY: 958400 4018.2188 20761.5404 14424.4800 241.4909 -203118.5410 2693.4872 0.0000 0.0000 51977.7453 -109001.5784 298.7168 -160979.3237 -108638.8436 300.0890 -84.5089 -58.3118 760714.5245 -11.6159 -11.5186 PRESSURE: 958600 42.8126 33.677 406.29 33.6777 -236.258 284.033 406.291 284.032 228.511 GPRESSURE: 958600 168.178 -91.1174 380.611 -93.2764 -199.012 296.765 329.597 250.745 129.051 PRESSAVG: 958600 41.2269 -66.3495 -82.8621 -66.3494 -40.5171 72.912 -82.8621 72.912 -2.47469 GPRESSAVG: 958600 41.6864 -63.8927 -82.5587 -69.1785 -41.7053 73.7082 -83.4858 72.5209 -1.82388 TIMING: 958600 CPU: 3017.62, 0.00315977/step Wall: 3017.62, 0.00315977/step, 3.54719 hours remaining, 236.710938 MB of memory in use. ENERGY: 958600 3981.8003 20817.7565 14426.3932 263.6761 -202823.1995 2174.0566 0.0000 0.0000 52114.9852 -109044.5314 299.5055 -161159.5166 -108689.5232 299.9361 11.6887 32.7388 760849.7888 -0.5883 -0.6143 PRESSURE: 958800 -18.682 -90.7846 44.8499 -90.7846 -6.12457 -22.5598 44.8488 -22.5591 73.2628 GPRESSURE: 958800 66.6258 -107.429 30.4235 -225.527 0.786597 -79.7936 134.867 54.0118 79.8244 PRESSAVG: 958800 41.696 29.3124 -59.0274 29.3125 -55.0082 -0.670759 -59.0275 -0.670765 5.45953 GPRESSAVG: 958800 42.1681 29.8302 -57.9683 30.766 -55.6277 0.37021 -59.3914 -1.67873 5.38972 TIMING: 958800 CPU: 3018.25, 0.0031426/step Wall: 3018.25, 0.0031426/step, 3.52775 hours remaining, 236.710938 MB of memory in use. ENERGY: 958800 4040.4617 20683.6226 14474.3693 241.7017 -203224.9793 2672.2784 0.0000 0.0000 52230.3395 -108882.2061 300.1685 -161112.5456 -108515.6762 300.4009 16.1521 49.0789 761305.2560 -2.6176 -2.6900 PRESSURE: 959000 342.68 -144.002 119.218 -144.002 -352.419 -79.4797 119.219 -79.4791 165.322 GPRESSURE: 959000 294.847 28.5947 130.359 -194.829 -201.129 -95.261 93.1603 -45.3845 167.177 PRESSAVG: 959000 61.1171 -69.1087 36.2078 -69.1087 -31.7746 -35.1036 36.2078 -35.1035 0.331052 GPRESSAVG: 959000 60.094 -68.7699 35.4427 -69.2875 -30.867 -36.9368 37.43 -35.4496 0.0429136 TIMING: 959000 CPU: 3018.88, 0.0031358/step Wall: 3018.88, 0.0031358/step, 3.51994 hours remaining, 236.710938 MB of memory in use. ENERGY: 959000 4027.1617 20507.5571 14463.6987 278.6986 -203905.7060 3185.7814 0.0000 0.0000 52398.3485 -109044.4600 301.1340 -161442.8085 -108681.4536 300.0155 51.8612 86.9652 761460.4079 9.8912 9.7566 PRESSURE: 959200 267.35 139.814 234.347 139.813 312.302 15.4652 234.348 15.4649 -50.504 GPRESSURE: 959200 287.824 81.2804 200.645 -65.4535 296.522 -1.89958 367.424 59.3553 27.9696 PRESSAVG: 959200 24.0045 5.02801 87.509 5.02801 -34.7491 19.1068 87.509 19.1068 14.4194 GPRESSAVG: 959200 25.086 4.76526 86.9343 6.6191 -35.546 19.991 86.2827 21.507 14.0917 TIMING: 959200 CPU: 3019.51, 0.00315759/step Wall: 3019.51, 0.00315759/step, 3.54422 hours remaining, 236.710938 MB of memory in use. ENERGY: 959200 4005.7343 20720.1829 14452.8975 254.9406 -203283.8953 2764.6051 0.0000 0.0000 52003.8470 -109081.6878 298.8668 -161085.5348 -108719.3844 299.9620 176.3826 204.1051 761381.8275 1.2249 1.2106 PRESSURE: 959400 60.8637 -147.868 146.329 -147.868 -84.8285 105.667 146.329 105.668 62.552 GPRESSURE: 959400 76.4708 -209.289 65.2628 -75.931 -34.8517 56.6764 98.2788 -6.7776 76.3017 PRESSAVG: 959400 -11.0438 -14.2622 -34.0991 -14.2622 8.21017 75.1881 -34.099 75.1882 -2.83804 GPRESSAVG: 959400 -11.9427 -16.1178 -31.5623 -14.1669 8.16371 74.2899 -36.9186 73.2371 -2.10876 TIMING: 959400 CPU: 3020.14, 0.00316207/step Wall: 3020.14, 0.00316207/step, 3.54907 hours remaining, 236.710938 MB of memory in use. ENERGY: 959400 4031.1447 20460.8419 14487.9972 238.2487 -203372.9550 2777.5124 0.0000 0.0000 52203.2236 -109173.9865 300.0126 -161377.2101 -108805.7835 299.5642 12.8624 39.3069 761847.4457 -1.8906 -1.9626 PRESSURE: 959600 -103.496 -23.0116 -332.917 -23.0115 140.05 161.165 -332.917 161.165 -242.953 GPRESSURE: 959600 -80.827 67.8186 -360.499 52.5908 146.666 127.719 -264.887 253.685 -195.483 PRESSAVG: 959600 11.1863 -23.5565 3.57777 -23.5565 -8.29396 67.6804 3.57774 67.6803 11.8376 GPRESSAVG: 959600 11.4853 -22.1412 2.38206 -25.8892 -7.94272 68.57 3.78541 69.7717 11.7922 TIMING: 959600 CPU: 3020.77, 0.00315267/step Wall: 3020.77, 0.00315267/step, 3.53834 hours remaining, 236.710938 MB of memory in use. ENERGY: 959600 3952.5337 20525.6309 14435.5283 255.9392 -202928.4444 2476.1834 0.0000 0.0000 52166.4549 -109116.1740 299.8013 -161282.6288 -108750.5750 299.4454 -68.7998 -43.2148 763100.7685 4.9100 5.1116 PRESSURE: 959800 204.702 145.896 201.41 145.896 -153.479 -20.0174 201.41 -20.0177 89.1028 GPRESSURE: 959800 224.861 46.17 251.185 45.7918 -135.692 -24.7004 120.208 -35.3829 125.635 PRESSAVG: 959800 -22.1072 13.6993 -3.06764 13.6993 -12.7651 54.4878 -3.06762 54.4877 18.3772 GPRESSAVG: 959800 -22.6367 14.5745 -3.96494 14.6568 -12.8612 54.2045 -0.440885 54.1559 18.7129 TIMING: 959800 CPU: 3021.41, 0.00316943/step Wall: 3021.41, 0.00316943/step, 3.55698 hours remaining, 236.710938 MB of memory in use. ENERGY: 959800 3915.1952 20542.3926 14523.3409 258.7983 -203280.9255 2708.6225 0.0000 0.0000 52026.6882 -109305.8877 298.9981 -161332.5759 -108943.9646 299.6055 46.7755 71.6012 763358.3494 -5.4984 -5.5950 PRESSURE: 960000 76.8736 -120.402 -43.6452 -120.402 41.0704 -245.019 -43.6445 -245.02 -34.6042 GPRESSURE: 960000 157.318 66.9196 -120.033 -177.965 38.0875 -132.566 -47.618 -169.28 -30.133 PRESSAVG: 960000 16.4982 -19.1044 4.72049 -19.1044 -15.6675 -30.0658 4.72055 -30.0659 5.07413 GPRESSAVG: 960000 17.0744 -19.5983 5.1736 -16.882 -15.1777 -30.4374 4.23265 -31.1335 4.56171 TIMING: 960000 CPU: 3022.04, 0.0031648/step Wall: 3022.04, 0.0031648/step, 3.55161 hours remaining, 236.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 960000 4021.6107 20569.6194 14443.7122 244.7752 -203411.3140 2943.0872 0.0000 0.0000 51869.5809 -109318.9285 298.0952 -161188.5093 -108960.0231 299.4177 27.7799 55.0907 763272.4465 1.9683 2.1528 PRESSURE: 960200 261.627 -1.72004 -224.009 -1.72068 216.709 -43.7741 -224.008 -43.7741 55.4017 GPRESSURE: 960200 355.091 -76.9384 -170.023 102.185 214.883 -6.14281 -222.779 -185.741 41.3313 PRESSAVG: 960200 4.14054 -16.8641 18.2937 -16.8641 -12.1005 -0.148393 18.2937 -0.148485 -18.8163 GPRESSAVG: 960200 4.35208 -16.8921 17.4634 -18.0505 -11.3906 0.607851 18.1455 -0.620808 -19.4691 TIMING: 960200 CPU: 3022.67, 0.00315545/step Wall: 3022.67, 0.00315545/step, 3.54094 hours remaining, 236.710938 MB of memory in use. ENERGY: 960200 3867.4929 20506.5852 14513.7051 257.7657 -203541.6919 2850.9688 0.0000 0.0000 52072.0678 -109473.1064 299.2589 -161545.1742 -109099.5755 299.3434 177.9124 203.7684 761907.6533 -8.9254 -8.8359 LDB: ============= START OF LOAD BALANCING ============== 3035.07 LDB: ============== END OF LOAD BALANCING =============== 3035.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3035.07 LDB: ============= START OF LOAD BALANCING ============== 3035.39 LDB: Largest compute 7078 load 0.035573 is 18.2% of average load 0.195955 LDB: Average compute 0.004352 is 2.2% of average load 0.195955 LDB: TIME 3035.39 LOAD: AVG 0.195955 MAX 0.213965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.727 MB LDB: TIME 3035.39 LOAD: AVG 0.195955 MAX 0.213965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.727 MB LDB: TIME 3035.39 LOAD: AVG 0.195955 MAX 0.213965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.727 MB LDB: ============== END OF LOAD BALANCING =============== 3035.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3035.4 PRESSURE: 960400 137.996 -357.262 46.0427 -357.263 79.5403 148.367 46.0421 148.368 -210.643 GPRESSURE: 960400 148.628 -317.121 142.027 -299.632 105.783 163.152 33.0518 58.1236 -149.283 PRESSAVG: 960400 22.7154 -52.7838 23.6846 -52.7838 -27.8103 -28.1869 23.6845 -28.187 -9.50998 GPRESSAVG: 960400 23.3764 -53.4958 23.8171 -53.3087 -29.0299 -28.9706 25.0354 -28.817 -9.12185 TIMING: 960400 CPU: 3023.32, 0.003242/step Wall: 3023.32, 0.003242/step, 3.63789 hours remaining, 237.039062 MB of memory in use. ENERGY: 960400 3991.2088 20595.1599 14452.7086 263.9498 -203383.3071 2725.3025 0.0000 0.0000 51976.7192 -109378.2582 298.7109 -161354.9774 -109025.0413 299.6580 2.2976 35.0424 762585.6584 -4.8683 -4.9251 PRESSURE: 960600 -63.5752 209.303 46.4927 209.302 -575.718 -33.2745 46.4927 -33.274 -35.6473 GPRESSURE: 960600 -35.4838 142.143 8.16204 209.23 -419.807 -91.9928 -29.8381 79.5452 -118.992 PRESSAVG: 960600 20.7082 14.4369 16.9216 14.437 -5.52892 58.4962 16.9216 58.496 16.5878 GPRESSAVG: 960600 21.13 14.5851 16.7631 15.3989 -5.89423 57.0436 18.4653 61.1958 15.8649 TIMING: 960600 CPU: 3023.95, 0.00314609/step Wall: 3023.95, 0.00314609/step, 3.53008 hours remaining, 237.242188 MB of memory in use. ENERGY: 960600 3954.0498 20422.6865 14373.2218 249.4693 -203172.9786 2568.2058 0.0000 0.0000 52156.3289 -109449.0166 299.7431 -161605.3455 -109089.3851 299.5356 -224.9800 -191.4276 762701.0083 10.5890 10.3669 PRESSURE: 960800 -78.8734 94.7901 -224.136 94.789 200.222 65.7531 -224.136 65.7534 -463.215 GPRESSURE: 960800 -77.2348 38.7994 -147.893 148.605 221.413 46.4182 -228.798 -4.89795 -434.202 PRESSAVG: 960800 -9.08504 2.76661 24.6773 2.76659 30.0912 25.9095 24.6772 25.9095 -0.579866 GPRESSAVG: 960800 -10.2091 3.52046 24.9065 0.691725 30.9317 27.375 22.3526 25.1816 -0.337457 TIMING: 960800 CPU: 3024.57, 0.00313903/step Wall: 3024.57, 0.00313903/step, 3.52199 hours remaining, 237.242188 MB of memory in use. ENERGY: 960800 4008.4321 20527.6782 14425.2128 249.5602 -202933.7885 2326.0263 0.0000 0.0000 51900.2800 -109496.5989 298.2716 -161396.8789 -109141.0836 298.9750 -113.9554 -96.6746 762395.8687 6.8088 6.7950 PRESSURE: 961000 437.596 24.0501 -85.481 24.0498 49.929 -27.7006 -85.4804 -27.7017 167.765 GPRESSURE: 961000 543.519 27.4353 -136.99 -27.3892 53.3477 -24.9431 -14.6803 57.8974 150.014 PRESSAVG: 961000 18.8431 -60.3728 -22.8292 -60.3728 11.1265 -10.4681 -22.8292 -10.468 -7.8962 GPRESSAVG: 961000 18.8936 -59.1055 -22.9367 -59.4397 10.603 -11.2207 -21.452 -14.5269 -7.58428 TIMING: 961000 CPU: 3025.2, 0.00311869/step Wall: 3025.2, 0.00311869/step, 3.49899 hours remaining, 237.242188 MB of memory in use. ENERGY: 961000 3936.0198 20527.7181 14457.5673 239.3972 -203088.3744 2730.8768 0.0000 0.0000 51780.5007 -109416.2945 297.5832 -161196.7952 -109051.3414 298.4769 218.4300 248.9604 762716.0698 7.3578 7.3041 PRESSURE: 961200 -74.3668 -99.4958 -158.161 -99.4955 155.82 -202.65 -158.161 -202.65 195.629 GPRESSURE: 961200 -17.3368 -158.871 -94.0746 -28.9467 253.229 -103.293 -167.793 -157.033 118.565 PRESSAVG: 961200 -21.6693 21.0815 -46.7678 21.0816 26.4524 18.6567 -46.7678 18.6568 17.8734 GPRESSAVG: 961200 -20.2173 19.1318 -46.9681 20.5633 25.6907 18.4961 -47.4663 21.0436 17.3903 TIMING: 961200 CPU: 3025.83, 0.003133/step Wall: 3025.83, 0.003133/step, 3.51488 hours remaining, 237.242188 MB of memory in use. ENERGY: 961200 3889.7276 20638.6374 14466.8467 264.8990 -203029.7716 2500.0030 0.0000 0.0000 51963.4010 -109306.2569 298.6344 -161269.6579 -108959.5674 298.9959 92.3607 118.1525 762636.7863 7.5522 7.6212 PRESSURE: 961400 92.2824 55.8007 158.264 55.8008 476.677 -23.4455 158.264 -23.4453 -107.708 GPRESSURE: 961400 62.5424 4.62079 177.383 110.575 488.715 -2.77804 84.582 -56.7568 -29.6646 PRESSAVG: 961400 -37.2329 40.4016 28.565 40.4016 21.0396 -23.0856 28.5651 -23.0855 10.8309 GPRESSAVG: 961400 -37.6472 40.6367 29.1262 39.7744 20.859 -21.5654 30.1276 -24.4398 11.522 TIMING: 961400 CPU: 3026.45, 0.00312914/step Wall: 3026.45, 0.00312914/step, 3.51037 hours remaining, 237.242188 MB of memory in use. ENERGY: 961400 4001.5077 20467.7852 14525.2475 256.6150 -203454.8989 2684.0202 0.0000 0.0000 52143.4275 -109376.2959 299.6690 -161519.7234 -109019.0663 299.6649 153.7506 173.8642 760680.4192 -1.7875 -1.7554 PRESSURE: 961600 163.585 -130.715 125.122 -130.714 -203.591 90.7297 125.123 90.7295 -225.832 GPRESSURE: 961600 248.256 -100.048 101.562 -94.1237 -231.433 111.155 67.6981 67.5286 -171.355 PRESSAVG: 961600 30.4593 46.3931 -7.22803 46.3932 32.0495 30.9696 -7.22801 30.9695 -30.7836 GPRESSAVG: 961600 30.5162 46.2929 -8.31294 46.4245 31.7328 27.4671 -9.52154 31.6764 -30.2757 TIMING: 961600 CPU: 3027.08, 0.00312624/step Wall: 3027.08, 0.00312624/step, 3.50694 hours remaining, 237.242188 MB of memory in use. ENERGY: 961600 4026.5888 20516.7594 14508.5244 269.1650 -203356.3823 2366.6702 0.0000 0.0000 52086.0258 -109582.6486 299.3391 -161668.6744 -109227.0047 299.6730 -88.6126 -51.5104 761035.0210 10.5750 10.6578 PRESSURE: 961800 -43.3215 149.48 97.4331 149.479 156.997 -51.1189 97.4335 -51.1186 194.468 GPRESSURE: 961800 72.4287 163.054 122.602 171.207 132.04 2.24313 146.783 -64.4655 199.401 PRESSAVG: 961800 29.2888 31.184 -75.4446 31.184 4.59487 33.339 -75.4446 33.339 -26.0006 GPRESSAVG: 961800 28.797 29.9174 -74.8054 34.3138 5.34851 36.4004 -75.5587 33.6404 -25.9994 TIMING: 961800 CPU: 3027.7, 0.00314287/step Wall: 3027.7, 0.00314287/step, 3.52543 hours remaining, 237.242188 MB of memory in use. ENERGY: 961800 3929.5324 20440.2706 14484.1488 257.5439 -203440.1289 2639.4862 0.0000 0.0000 52167.3419 -109521.8050 299.8064 -161689.1470 -109159.1983 299.2978 102.7146 134.6233 760865.6465 2.6277 2.7154 PRESSURE: 962000 -104.583 -53.2767 -103.862 -53.2766 -142.181 -136.098 -103.863 -136.098 236.028 GPRESSURE: 962000 -83.6136 -116.657 -12.5155 -19.1349 -82.4797 -138.45 77.9448 -2.97573 238.344 PRESSAVG: 962000 23.2825 27.9985 -47.6515 27.9985 26.7281 -27.2662 -47.6515 -27.2661 15.8541 GPRESSAVG: 962000 23.4562 27.9072 -47.1655 27.9308 26.9798 -26.5146 -45.7559 -27.619 15.3796 TIMING: 962000 CPU: 3028.34, 0.00316297/step Wall: 3028.34, 0.00316297/step, 3.5478 hours remaining, 237.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 962000 3944.8859 20398.1558 14519.8619 249.6384 -203770.4150 2795.1965 0.0000 0.0000 52075.6470 -109787.0294 299.2795 -161862.6764 -109429.8440 298.9755 -3.5784 24.0836 760859.7564 21.9549 21.9385 PRESSURE: 962200 366.022 6.33936 147.817 6.33953 -204.282 -202.097 147.816 -202.096 -493.034 GPRESSURE: 962200 296.772 -80.5863 37.3332 76.9467 -86.4389 -202.646 75.7268 -221.491 -453.535 PRESSAVG: 962200 40.8517 -19.5383 -25.2482 -19.5383 -34.6637 -22.6896 -25.2481 -22.6896 -12.0516 GPRESSAVG: 962200 39.7202 -19.0003 -26.0788 -20.3335 -34.51 -23.9834 -26.8548 -21.6617 -11.493 TIMING: 962200 CPU: 3028.97, 0.00315095/step Wall: 3028.97, 0.00315095/step, 3.53414 hours remaining, 237.242188 MB of memory in use. ENERGY: 962200 3998.5517 20365.2048 14535.3330 260.4209 -203573.7037 2676.5605 0.0000 0.0000 52041.3002 -109696.3327 299.0821 -161737.6329 -109331.8717 299.0044 -110.4314 -81.0673 761448.9964 -1.9545 -2.0943 PRESSURE: 962400 24.2022 -45.3434 147.39 -45.3432 -445.32 -59.6099 147.39 -59.61 47.1451 GPRESSURE: 962400 53.6473 -138.109 195.334 -32.5863 -391.931 21.8285 206.808 90.6634 39.4416 PRESSAVG: 962400 51.5857 20.7182 -17.3918 20.7181 -41.1144 -19.2509 -17.3918 -19.2509 27.9138 GPRESSAVG: 962400 52.9918 19.6096 -17.917 20.5964 -40.324 -19.9763 -16.449 -20.6817 26.0477 TIMING: 962400 CPU: 3029.6, 0.00316498/step Wall: 3029.6, 0.00316498/step, 3.5497 hours remaining, 237.242188 MB of memory in use. ENERGY: 962400 3982.5026 20344.3590 14371.2734 223.1867 -203048.2632 2407.2858 0.0000 0.0000 51899.2874 -109820.3683 298.2659 -161719.6557 -109463.7378 298.7363 -124.6577 -99.6141 763019.4946 12.7950 12.9052 PRESSURE: 962600 -90.0811 27.4573 -53.9835 27.4572 -204.707 -135.137 -53.9831 -135.137 -577.544 GPRESSURE: 962600 -36.0785 86.1233 -68.205 128.965 -170.566 -124.034 -90.0523 -102.164 -589.595 PRESSAVG: 962600 40.2609 -34.5409 -27.9719 -34.5409 -21.9894 -3.63345 -27.9718 -3.63348 10.2575 GPRESSAVG: 962600 41.6031 -33.3469 -28.3406 -36.4214 -22.844 -4.74499 -29.1273 -2.97301 10.3904 TIMING: 962600 CPU: 3030.23, 0.00315207/step Wall: 3030.23, 0.00315207/step, 3.53505 hours remaining, 237.242188 MB of memory in use. ENERGY: 962600 3930.7067 20547.0204 14500.8846 233.3668 -203069.4804 2137.8111 0.0000 0.0000 52030.7385 -109688.9523 299.0214 -161719.6908 -109343.1943 298.7503 -290.7775 -265.4133 761190.7500 9.5096 9.7165 PRESSURE: 962800 -38.3008 -5.34745 28.9921 -5.34777 -211.166 16.2832 28.9932 16.2837 -536.487 GPRESSURE: 962800 -43.7059 40.2061 106.072 -60.9728 -253.715 -66.6266 -15.5847 4.0672 -399.12 PRESSAVG: 962800 51.0849 53.2951 -24.8013 53.2951 -10.2801 -36.8115 -24.8013 -36.8115 6.04056 GPRESSAVG: 962800 48.8233 52.8944 -24.5376 55.6486 -10.2229 -36.5424 -23.5761 -37.116 8.52887 TIMING: 962800 CPU: 3030.86, 0.00313491/step Wall: 3030.86, 0.00313491/step, 3.51563 hours remaining, 237.242188 MB of memory in use. ENERGY: 962800 3949.7167 20565.8935 14489.2486 248.5414 -203212.9844 2355.0552 0.0000 0.0000 51798.6076 -109805.9214 297.6873 -161604.5290 -109445.2969 298.3938 -261.9847 -232.1801 760768.8990 15.6151 15.7097 PRESSURE: 963000 -169.82 2.39277 -85.5737 2.39269 -227.361 -107.014 -85.5741 -107.014 -56.6686 GPRESSURE: 963000 -218.912 54.0195 -110.733 -25.5535 -115.738 -230.394 45.547 41.9345 -38.4121 PRESSAVG: 963000 33.8551 -7.8812 -67.0758 -7.88125 -18.525 -11.4664 -67.0759 -11.4663 19.5999 GPRESSAVG: 963000 33.7143 -7.93543 -67.4942 -9.75412 -17.6887 -10.9541 -69.0689 -10.7486 19.3233 TIMING: 963000 CPU: 3031.49, 0.0031585/step Wall: 3031.49, 0.0031585/step, 3.54191 hours remaining, 237.242188 MB of memory in use. ENERGY: 963000 3906.1952 20580.4102 14569.2471 248.9601 -203470.1971 2344.5835 0.0000 0.0000 51824.2375 -109996.5635 297.8346 -161820.8010 -109636.7899 298.0912 -151.2832 -124.3539 760342.7442 11.6433 11.7830 PRESSURE: 963200 -249.158 53.2364 -211.938 53.2366 -407.761 54.9674 -211.939 54.9671 -271.887 GPRESSURE: 963200 -274.617 78.6699 -297.482 55.9208 -345.555 175.578 -209.121 -78.8618 -262.536 PRESSAVG: 963200 36.4245 18.5348 -5.09055 18.5348 -39.4288 -39.2718 -5.09058 -39.2718 -23.36 GPRESSAVG: 963200 37.3997 18.4848 -5.84706 19.1357 -39.3337 -37.8934 -4.96161 -40.6651 -24.6869 TIMING: 963200 CPU: 3032.12, 0.00315977/step Wall: 3032.12, 0.00315977/step, 3.54316 hours remaining, 237.242188 MB of memory in use. ENERGY: 963200 3956.5143 20464.6142 14467.5071 240.8076 -203542.7641 2558.5789 0.0000 0.0000 51943.4753 -109911.2666 298.5199 -161854.7419 -109551.9635 298.2547 -309.6020 -294.2359 761657.9253 -8.7881 -8.8736 PRESSURE: 963400 363.759 199.66 105.191 199.66 158.056 -115.147 105.191 -115.146 66.5198 GPRESSURE: 963400 386.534 226.472 -1.00031 231.984 267.574 -125.275 69.3376 -18.0917 15.2595 PRESSAVG: 963400 -8.81821 26.1132 -20.6095 26.1132 9.90171 -5.75989 -20.6095 -5.75991 -1.25539 GPRESSAVG: 963400 -8.25966 27.972 -19.8313 25.5399 9.83007 -7.25362 -18.8854 -4.21153 -1.12493 TIMING: 963400 CPU: 3032.75, 0.00314649/step Wall: 3032.75, 0.00314649/step, 3.52809 hours remaining, 237.242188 MB of memory in use. ENERGY: 963400 3912.9205 20481.7063 14494.8795 266.1704 -203997.2052 2968.8721 0.0000 0.0000 52094.2069 -109778.4495 299.3861 -161872.6564 -109408.2225 298.4290 196.1115 223.1225 759467.6816 -0.0573 0.1485 PRESSURE: 963600 30.6689 -188.977 -145.11 -188.976 -146.084 -67.9186 -145.11 -67.9184 22.3022 GPRESSURE: 963600 84.4752 -277.246 -169.177 -202.721 -71.6219 -202.171 -155.521 75.5734 -15.9412 PRESSAVG: 963600 28.1459 10.0606 -48.6356 10.0606 -46.935 -9.46121 -48.6356 -9.46127 13.6038 GPRESSAVG: 963600 28.692 7.2652 -46.3627 11.3375 -48.228 -9.86665 -49.0739 -10.5374 14.0241 TIMING: 963600 CPU: 3033.38, 0.00316035/step Wall: 3033.38, 0.00316035/step, 3.54346 hours remaining, 237.242188 MB of memory in use. ENERGY: 963600 3938.2994 20585.4286 14562.7784 235.1283 -203337.6602 2544.8552 0.0000 0.0000 52022.0818 -109449.0885 298.9716 -161471.1702 -109093.4833 299.1840 -31.0377 -1.0293 761468.2334 -1.7284 -1.8373 PRESSURE: 963800 -87.6171 105.049 3.92668 105.049 37.0069 72.8135 3.928 72.8124 116.69 GPRESSURE: 963800 -3.91419 102.424 -70.5673 190.349 119.527 94.1814 -9.96732 58.9814 13.8404 PRESSAVG: 963800 -7.90614 -45.5026 -63.3301 -45.5026 -26.5642 -9.78475 -63.3301 -9.78477 -4.73133 GPRESSAVG: 963800 -8.21603 -44.0106 -63.6569 -44.746 -26.0501 -9.47158 -63.9167 -8.22099 -4.72724 TIMING: 963800 CPU: 3034.01, 0.00314769/step Wall: 3034.01, 0.00314769/step, 3.52909 hours remaining, 237.242188 MB of memory in use. ENERGY: 963800 4001.3568 20368.1060 14451.2241 247.8179 -203065.0985 2322.1861 0.0000 0.0000 52228.7146 -109445.6930 300.1591 -161674.4076 -109066.1154 299.5345 22.0267 43.1510 760975.9110 -13.0672 -12.9978 PRESSURE: 964000 -326.742 7.9071 -85.9242 7.90718 -180.794 94.341 -85.924 94.3402 -266.881 GPRESSURE: 964000 -295.661 111.994 -74.0837 39.7461 -101.133 67.0332 -114.811 62.6167 -289.146 PRESSAVG: 964000 3.31931 1.74941 23.2847 1.74949 -23.7712 25.3626 23.2847 25.3626 15.2361 GPRESSAVG: 964000 3.31617 2.01744 21.5841 0.646033 -24.1966 24.7689 22.2262 24.8347 15.7011 TIMING: 964000 CPU: 3034.65, 0.0031655/step Wall: 3034.65, 0.0031655/step, 3.54888 hours remaining, 237.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 964000 3984.5793 20530.7108 14441.5666 255.6941 -203167.2324 2397.3795 0.0000 0.0000 52104.6465 -109452.6557 299.4461 -161557.3023 -109097.2998 299.3432 -258.1389 -228.6466 761413.2634 -1.7386 -1.7264 PRESSURE: 964200 -156.836 -91.7576 -55.1515 -91.7585 -237.625 -94.4895 -55.1506 -94.4891 229.116 GPRESSURE: 964200 -159.574 -197.62 -26.7936 -118.95 -127.016 -129.917 25.9613 -49.3631 214.914 PRESSAVG: 964200 -5.45126 4.09419 -22.4466 4.09418 -37.3463 36.0954 -22.4466 36.0954 -5.18742 GPRESSAVG: 964200 -4.82366 3.91272 -21.4042 4.3145 -37.3155 37.3925 -17.2554 33.9536 -6.01067 TIMING: 964200 CPU: 3035.28, 0.00316619/step Wall: 3035.28, 0.00316619/step, 3.54947 hours remaining, 237.242188 MB of memory in use. ENERGY: 964200 4044.3699 20447.3163 14426.9305 236.6307 -203798.0920 2872.8554 0.0000 0.0000 52138.5347 -109631.4545 299.6409 -161769.9893 -109263.7681 299.0277 -55.1152 -23.8919 761141.9287 -15.9950 -16.0499 LDB: ============= START OF LOAD BALANCING ============== 3047.68 LDB: ============== END OF LOAD BALANCING =============== 3047.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3047.68 LDB: ============= START OF LOAD BALANCING ============== 3048 LDB: Largest compute 7077 load 0.033892 is 17.3% of average load 0.195936 LDB: Average compute 0.004373 is 2.2% of average load 0.195936 LDB: TIME 3048 LOAD: AVG 0.195936 MAX 0.212328 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.297 MB LDB: TIME 3048 LOAD: AVG 0.195936 MAX 0.212328 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.301 MB LDB: TIME 3048 LOAD: AVG 0.195936 MAX 0.212328 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.301 MB LDB: ============== END OF LOAD BALANCING =============== 3048 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3048.01 PRESSURE: 964400 -135.982 -2.59147 28.2025 -2.59102 155.861 267 28.2021 267.001 -129.186 GPRESSURE: 964400 -75.9344 96.505 -0.385043 60.6755 115.477 233.619 -0.785788 195.743 -63.4373 PRESSAVG: 964400 -11.3324 3.88062 56.0997 3.8806 -19.4417 48.0133 56.0996 48.0133 -7.96302 GPRESSAVG: 964400 -11.0688 3.76689 56.3492 2.77617 -19.5242 49.1241 52.3901 49.634 -8.40032 TIMING: 964400 CPU: 3035.93, 0.00323154/step Wall: 3035.93, 0.00323154/step, 3.62256 hours remaining, 237.113281 MB of memory in use. ENERGY: 964400 3975.9896 20610.0358 14389.9927 262.4047 -203435.8680 2303.7381 0.0000 0.0000 52218.3110 -109675.3961 300.0994 -161893.7071 -109311.7060 299.0267 -36.4357 -7.9648 760111.2077 -12.9124 -12.9978 PRESSURE: 964600 -21.0726 218.009 144.986 218.01 49.6179 38.3644 144.987 38.3643 -133.115 GPRESSURE: 964600 26.5604 119.277 180.249 239.879 83.6445 63.6014 91.7025 -143.872 -151.4 PRESSAVG: 964600 37.2193 -5.05985 13.0195 -5.05988 -26.0976 5.6682 13.0195 5.66815 -7.24236 GPRESSAVG: 964600 37.4867 -5.24418 15.3136 -3.4058 -26.1986 4.09233 12.9977 4.87458 -7.35531 TIMING: 964600 CPU: 3036.56, 0.00316084/step Wall: 3036.56, 0.00316084/step, 3.54313 hours remaining, 237.113281 MB of memory in use. ENERGY: 964600 4063.9085 20519.0697 14513.3937 261.8264 -203197.1743 2458.0956 0.0000 0.0000 51882.3967 -109498.4837 298.1688 -161380.8804 -109140.4825 299.2725 -34.8566 -13.7316 760849.5438 1.2931 1.3109 PRESSURE: 964800 68.0314 -88.0227 -3.14528 -88.0224 101.216 -63.9751 -3.14523 -63.9748 331.069 GPRESSURE: 964800 46.6962 -3.42451 31.0008 -48.6083 98.1474 -171.532 17.0741 -24.9406 452.093 PRESSAVG: 964800 22.9307 -74.6332 3.79036 -74.6332 -17.5521 23.9586 3.79037 23.9585 -19.3886 GPRESSAVG: 964800 20.6505 -75.3471 1.60005 -75.4948 -17.359 23.7765 4.32953 22.6411 -17.9513 TIMING: 964800 CPU: 3037.19, 0.00315944/step Wall: 3037.19, 0.00315944/step, 3.54138 hours remaining, 237.113281 MB of memory in use. ENERGY: 964800 3970.8055 20781.8465 14483.3455 236.3326 -203533.5407 2583.8123 0.0000 0.0000 52077.9282 -109399.4701 299.2926 -161477.3983 -109041.2959 299.2564 166.7720 198.9789 761533.5060 -4.6700 -4.8866 PRESSURE: 965000 120.804 23.5542 -58.4426 23.5544 167.778 -268.275 -58.4434 -268.275 332.402 GPRESSURE: 965000 262.157 -28.0796 -171.649 -19.8535 65.4222 -208.456 29.6706 -172.074 387.616 PRESSAVG: 965000 -37.6782 -46.6454 25.7618 -46.6454 25.1341 15.0345 25.7618 15.0345 5.81883 GPRESSAVG: 965000 -36.0998 -45.9274 26.3876 -46.3399 24.7795 16.9046 26.9836 19.1547 4.715 TIMING: 965000 CPU: 3037.82, 0.00315068/step Wall: 3037.82, 0.00315068/step, 3.53139 hours remaining, 237.113281 MB of memory in use. ENERGY: 965000 4022.8032 20474.2632 14451.1775 255.1388 -203482.5590 2695.5936 0.0000 0.0000 52401.9758 -109181.6069 301.1549 -161583.5828 -108819.2849 299.4981 206.9946 238.3983 760614.7150 -2.2417 -2.2018 PRESSURE: 965200 -162.218 -70.8883 31.653 -70.89 -191.519 -113.481 31.6532 -113.481 223.789 GPRESSURE: 965200 -67.829 -81.7706 37.5944 -28.14 -215.841 -143.555 79.8907 -146.703 247.19 PRESSAVG: 965200 17.4351 -37.6235 44.7991 -37.6234 24.5312 2.18549 44.799 2.18541 -10.586 GPRESSAVG: 965200 17.521 -37.3569 44.564 -39.5408 23.9208 2.30171 42.1043 -0.256847 -10.4056 TIMING: 965200 CPU: 3038.45, 0.00317016/step Wall: 3038.45, 0.00317016/step, 3.55304 hours remaining, 237.113281 MB of memory in use. ENERGY: 965200 3990.3919 20525.6228 14496.5972 265.3510 -203331.5857 2349.5346 0.0000 0.0000 52297.9346 -109406.1536 300.5569 -161704.0882 -109061.4060 299.7606 -43.3161 -12.1601 759632.1691 10.4601 10.3454 PRESSURE: 965400 49.3828 -182.12 74.9595 -182.12 -15.2044 93.7524 74.9597 93.752 22.1973 GPRESSURE: 965400 114.365 -173.392 95.7786 -119.844 -54.0369 20.3586 83.5594 205.051 78.1789 PRESSAVG: 965400 -46.6912 -45.3096 11.6729 -45.3096 27.5344 49.2549 11.6729 49.2551 0.759796 GPRESSAVG: 965400 -45.7165 -46.5132 10.3857 -43.7484 26.8796 48.7417 12.1377 49.7328 0.0118605 TIMING: 965400 CPU: 3039.09, 0.00317504/step Wall: 3039.09, 0.00317504/step, 3.55834 hours remaining, 237.113281 MB of memory in use. ENERGY: 965400 4020.3058 20486.6137 14486.2215 245.9962 -203353.5574 2549.2509 0.0000 0.0000 52094.8936 -109470.2757 299.3901 -161565.1693 -109109.4557 299.2615 18.7919 46.1690 761545.5621 -6.1323 -6.2750 PRESSURE: 965600 -267.009 -0.318729 48.0682 -0.318854 -123.799 27.1034 48.0683 27.104 14.7637 GPRESSURE: 965600 -270.413 -0.724469 51.7929 47.4634 -32.9664 -10.9808 -24.5287 14.6453 19.7659 PRESSAVG: 965600 27.1012 -23.4387 -7.80515 -23.4387 -42.9004 5.14574 -7.80513 5.14573 6.35948 GPRESSAVG: 965600 25.3531 -21.8838 -7.29497 -23.6268 -41.1757 4.02718 -8.39311 4.87268 6.20076 TIMING: 965600 CPU: 3039.72, 0.00316958/step Wall: 3039.72, 0.00316958/step, 3.55205 hours remaining, 237.113281 MB of memory in use. ENERGY: 965600 3999.8930 20378.2529 14516.2907 227.7141 -203278.1754 2606.5302 0.0000 0.0000 51822.2178 -109727.2766 297.8230 -161549.4945 -109358.5371 299.1466 -125.3482 -94.5378 763256.4799 -3.1466 -3.2073 PRESSURE: 965800 62.5118 -102.857 -331.383 -102.857 85.6949 -67.2353 -331.383 -67.2348 184.735 GPRESSURE: 965800 40.9463 -151.37 -210.819 -28.172 114.353 -122.884 -310.363 -98.5444 245.359 PRESSAVG: 965800 -12.8213 -6.13373 11.6184 -6.13371 6.10774 34.1821 11.6185 34.182 3.03201 GPRESSAVG: 965800 -13.5218 -7.91799 11.0068 -5.3491 7.59657 35.3789 12.8296 33.0481 2.10302 TIMING: 965800 CPU: 3040.35, 0.00315022/step Wall: 3040.35, 0.00315022/step, 3.53018 hours remaining, 237.113281 MB of memory in use. ENERGY: 965800 4020.4210 20577.9053 14434.5023 246.7853 -203523.2661 2618.2007 0.0000 0.0000 52107.1351 -109518.3164 299.4604 -161625.4515 -109159.5742 299.3246 110.9806 133.5527 761240.2448 -1.2272 -1.2741 PRESSURE: 966000 -21.344 -182.115 -43.9727 -182.116 -200.216 -217.636 -43.973 -217.637 282.837 GPRESSURE: 966000 -1.18441 -236.187 -35.1401 -96.1233 -163.481 -276.171 -91.6342 -139.236 302.561 PRESSAVG: 966000 -29.0705 -51.442 -18.7174 -51.442 53.7197 -25.7895 -18.7175 -25.7895 6.72258 GPRESSAVG: 966000 -30.6843 -51.2069 -18.0021 -50.6773 53.0881 -24.3115 -18.7864 -24.3218 8.70452 TIMING: 966000 CPU: 3040.98, 0.0031519/step Wall: 3040.98, 0.0031519/step, 3.53187 hours remaining, 237.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 966000 4044.8838 20485.6235 14438.9893 242.5865 -203940.0344 2799.7010 0.0000 0.0000 52284.8116 -109643.4387 300.4815 -161928.2503 -109280.6438 299.3161 20.4257 45.9652 762092.0112 10.4573 10.3694 PRESSURE: 966200 -170.356 55.6205 -101.295 55.6205 41.9895 -74.0741 -101.294 -74.0727 -80.3082 GPRESSURE: 966200 -144.534 -75.5379 -166.979 37.6368 106.629 -142.864 -92.4739 89.3054 -94.8671 PRESSAVG: 966200 4.8599 -37.7801 63.7029 -37.7802 -28.3347 -14.9409 63.7029 -14.9409 1.76013 GPRESSAVG: 966200 6.94593 -39.1874 62.5716 -39.427 -30.0701 -16.9287 64.0874 -15.561 1.17256 TIMING: 966200 CPU: 3041.61, 0.00315512/step Wall: 3041.61, 0.00315512/step, 3.53531 hours remaining, 237.113281 MB of memory in use. ENERGY: 966200 3949.7407 20528.4051 14480.4941 224.8250 -203397.9217 2487.4382 0.0000 0.0000 52314.3748 -109412.6439 300.6514 -161727.0187 -109052.8119 299.6553 -69.5582 -44.2576 761891.7071 -7.2382 -7.3172 PRESSURE: 966400 -271.005 -158.733 -59.497 -158.734 -65.2724 -81.3426 -59.496 -81.3419 275.328 GPRESSURE: 966400 -247.158 -7.52499 -24.0293 -168.243 21.0338 -32.7802 -52.3029 -202.102 266.661 PRESSAVG: 966400 -1.08932 -61.024 -42.1015 -61.024 46.0178 -1.22703 -42.1015 -1.22702 -5.17705 GPRESSAVG: 966400 -0.307275 -58.5008 -42.8454 -61.5168 46.4597 -0.0869411 -42.331 -0.687749 -5.40715 TIMING: 966400 CPU: 3042.24, 0.0031517/step Wall: 3042.24, 0.0031517/step, 3.5313 hours remaining, 237.113281 MB of memory in use. ENERGY: 966400 4034.6700 20544.6224 14506.6237 269.0944 -203357.6080 2699.2898 0.0000 0.0000 51716.8231 -109586.4846 297.2173 -161303.3077 -109223.3435 299.4663 -20.3165 13.5123 761456.5164 13.2505 13.5818 PRESSURE: 966600 -166.572 -15.96 -13.4208 -15.9597 -259.124 54.4336 -13.4204 54.4333 10.4138 GPRESSURE: 966600 -152.984 -96.7685 0.464154 -24.6638 -224.918 45.8692 64.2034 43.7832 42.7219 PRESSAVG: 966600 10.9311 -20.1629 -48.6973 -20.1628 -34.6595 -45.039 -48.6972 -45.0391 -1.18529 GPRESSAVG: 966600 9.471 -22.3728 -47.0647 -20.0565 -33.6176 -44.7506 -47.3362 -44.0041 -0.789881 TIMING: 966600 CPU: 3042.88, 0.00315701/step Wall: 3042.88, 0.00315701/step, 3.53708 hours remaining, 237.113281 MB of memory in use. ENERGY: 966600 4001.3427 20479.6069 14466.2796 261.3582 -203371.6550 2471.7677 0.0000 0.0000 51934.3792 -109756.9207 298.4676 -161691.2999 -109396.7504 298.9021 -138.4275 -111.7267 762904.5661 -8.3046 -8.3122 PRESSURE: 966800 -384.379 -122.436 134.805 -122.436 -122.099 34.0404 134.805 34.0401 -37.3107 GPRESSURE: 966800 -263.78 2.3604 70.9282 -111.838 -192.529 36.274 85.8798 26.675 -8.1856 PRESSAVG: 966800 6.34934 -15.529 -84.5596 -15.529 24.7511 0.379178 -84.5596 0.379139 -18.9536 GPRESSAVG: 966800 8.69949 -14.8878 -83.4302 -14.2538 23.409 0.36269 -86.1791 -2.63475 -19.8807 TIMING: 966800 CPU: 3043.51, 0.00315914/step Wall: 3043.51, 0.00315914/step, 3.53929 hours remaining, 237.113281 MB of memory in use. ENERGY: 966800 4003.3012 20585.9743 14455.1269 248.5100 -203174.1011 2404.6535 0.0000 0.0000 51894.2186 -109582.3166 298.2368 -161476.5353 -109222.6183 298.5049 -181.2627 -154.8316 762551.7440 4.0489 4.0759 PRESSURE: 967000 -487.268 -79.3462 3.32846 -79.3469 18.9489 68.1743 3.3279 68.1735 -304.54 GPRESSURE: 967000 -439.778 -114.25 -78.4399 -22.2633 62.552 48.7111 0.0339843 163 -308.375 PRESSAVG: 967000 -3.99748 -10.0123 -46.8056 -10.0123 4.49713 30.8901 -46.8056 30.8901 -16.7126 GPRESSAVG: 967000 -5.8369 -9.94392 -48.4446 -8.92595 6.2829 30.9477 -46.0679 32.6298 -16.6917 TIMING: 967000 CPU: 3044.13, 0.0031346/step Wall: 3044.13, 0.0031346/step, 3.51162 hours remaining, 237.113281 MB of memory in use. ENERGY: 967000 4011.5307 20567.8594 14358.2734 221.8089 -203078.0120 2420.0719 0.0000 0.0000 51847.2171 -109651.2506 297.9667 -161498.4677 -109286.7266 299.1766 -257.6199 -228.5335 762441.1900 -5.4043 -5.4153 PRESSURE: 967200 -384.714 -190.55 -37.6802 -190.551 -47.0028 14.7389 -37.68 14.7387 15.4812 GPRESSURE: 967200 -335.775 -342.421 -49.9266 -105.864 -69.4748 29.8017 -41.2159 -38.6681 63.3047 PRESSAVG: 967200 13.7197 -35.5972 31.4379 -35.5972 7.06938 -13.9748 31.4379 -13.9747 8.32041 GPRESSAVG: 967200 13.761 -35.2473 31.3407 -37.23 6.30477 -15.2882 30.9706 -13.4747 9.52553 TIMING: 967200 CPU: 3044.76, 0.00313761/step Wall: 3044.76, 0.00313761/step, 3.51482 hours remaining, 237.113281 MB of memory in use. ENERGY: 967200 4014.9553 20481.3108 14452.3274 261.0764 -203269.9258 2548.3280 0.0000 0.0000 52127.0708 -109384.8570 299.5750 -161511.9278 -109015.3177 298.6874 -138.7451 -113.9819 763939.6561 9.7032 9.8638 PRESSURE: 967400 -161.822 -47.7484 47.2043 -47.7489 -5.52896 -106.989 47.2031 -106.989 190.763 GPRESSURE: 967400 -89.2273 -157.625 17.3657 -25.9359 20.0461 -139.664 52.5995 -237.138 170.125 PRESSAVG: 967400 12.1172 -78.478 13.5798 -78.478 -43.1319 -23.6661 13.5799 -23.6661 -2.87705 GPRESSAVG: 967400 11.3961 -79.8588 15.4701 -77.7492 -42.8283 -23.0941 12.9047 -27.3169 -2.71711 TIMING: 967400 CPU: 3045.39, 0.00314196/step Wall: 3045.39, 0.00314196/step, 3.51952 hours remaining, 237.113281 MB of memory in use. ENERGY: 967400 3981.3491 20586.0399 14468.0839 251.9263 -203377.0570 2774.5744 0.0000 0.0000 52209.4555 -109105.6279 300.0485 -161315.0834 -108749.0210 300.1480 7.8041 33.6479 763514.6590 -11.2973 -11.3831 PRESSURE: 967600 -232.178 -8.25335 -18.5816 -8.25377 122.44 -18.1141 -18.581 -18.1134 -149.031 GPRESSURE: 967600 -131.985 -18.2491 -8.20926 -47.7963 116.588 -103.852 -8.0406 -51.0756 -147.007 PRESSAVG: 967600 9.46893 -36.0536 34.8468 -36.0536 -20.8545 -21.2544 34.8469 -21.2543 21.3756 GPRESSAVG: 967600 11.4384 -36.7382 35.699 -37.6524 -22.0438 -22.6886 34.5396 -18.7827 20.5611 TIMING: 967600 CPU: 3046.02, 0.00316996/step Wall: 3046.02, 0.00316996/step, 3.55071 hours remaining, 237.113281 MB of memory in use. ENERGY: 967600 4062.1695 20446.4422 14422.4930 246.4410 -202823.5042 2323.6696 0.0000 0.0000 52129.6716 -109192.6173 299.5899 -161322.2889 -108831.0137 300.2465 -86.2561 -54.1350 761490.1676 3.3300 3.3186 PRESSURE: 967800 102.283 -171.108 -99.6191 -171.108 225.206 -55.7696 -99.6191 -55.77 329.994 GPRESSURE: 967800 209.272 -210.232 -91.4432 -89.7258 201.985 17.5823 -79.5179 -236.912 321.303 PRESSAVG: 967800 4.64456 -21.7031 -21.8539 -21.7031 42.2141 -6.2356 -21.8538 -6.23558 2.64079 GPRESSAVG: 967800 4.17341 -19.1884 -22.2403 -21.2962 42.6423 -5.60181 -23.2134 -6.2273 2.00632 TIMING: 967800 CPU: 3046.66, 0.00316383/step Wall: 3046.66, 0.00316382/step, 3.54366 hours remaining, 237.113281 MB of memory in use. ENERGY: 967800 3991.4982 20669.4916 14467.9284 252.3427 -203004.7886 2324.8568 0.0000 0.0000 52055.7718 -109242.8991 299.1652 -161298.6708 -108882.5377 299.7972 219.1610 244.1866 761252.3523 16.4998 16.2740 PRESSURE: 968000 481.087 54.8103 57.7333 54.8099 8.22635 -94.5062 57.7331 -94.5055 347.306 GPRESSURE: 968000 478.946 44.2669 49.1398 -112.219 93.9171 -44.7354 54.0402 51.0263 338.523 PRESSAVG: 968000 40.5598 -26.6375 48.0752 -26.6375 25.1072 -13.392 48.0752 -13.3919 7.46844 GPRESSAVG: 968000 39.2055 -29.0087 46.8114 -25.5807 25.8384 -12.8004 50.2425 -10.5544 8.23949 TIMING: 968000 CPU: 3047.29, 0.00315674/step Wall: 3047.29, 0.00315674/step, 3.53555 hours remaining, 237.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 968000 3959.2202 20506.2050 14475.2090 222.6363 -203245.5044 2534.1991 0.0000 0.0000 52329.8803 -109218.1546 300.7405 -161548.0348 -108855.0610 300.1192 278.8733 303.7954 760576.8534 24.3785 24.4278 PRESSURE: 968200 -156.991 -47.4262 -113.183 -47.4251 11.7993 148.035 -113.182 148.033 -2.21989 GPRESSURE: 968200 -183.036 -10.9049 -137.046 28.5105 148.893 121.877 -181.499 107.079 -29.887 PRESSAVG: 968200 24.581 56.4936 27.9796 56.4936 29.0365 21.5544 27.9797 21.5543 -4.36067 GPRESSAVG: 968200 25.5756 57.0124 29.3416 57.4332 28.7572 20.4717 26.5498 19.0063 -5.33683 TIMING: 968200 CPU: 3047.92, 0.00316671/step Wall: 3047.92, 0.00316671/step, 3.54654 hours remaining, 237.113281 MB of memory in use. ENERGY: 968200 4038.5215 20667.5916 14491.4138 253.8617 -202857.0373 2525.9947 0.0000 0.0000 51954.1741 -108925.4798 298.5814 -160879.6539 -108564.3420 300.3290 -49.1374 -21.3433 762741.2568 16.4190 16.3320 LDB: ============= START OF LOAD BALANCING ============== 3060.32 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3060.32 LDB: =============== DONE WITH MIGRATION ================ 3060.32 LDB: ============= START OF LOAD BALANCING ============== 3060.64 LDB: Largest compute 7075 load 0.032096 is 16.4% of average load 0.195929 LDB: Average compute 0.004391 is 2.2% of average load 0.195929 LDB: TIME 3060.64 LOAD: AVG 0.195929 MAX 0.214371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.133 MB LDB: TIME 3060.64 LOAD: AVG 0.195929 MAX 0.214371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: TIME 3060.64 LOAD: AVG 0.195929 MAX 0.214371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: ============== END OF LOAD BALANCING =============== 3060.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3060.65 PRESSURE: 968400 40.5099 54.6778 -149.384 54.6771 107.149 92.6043 -149.386 92.6052 9.6931 GPRESSURE: 968400 -16.431 151.543 -101.961 37.8306 243.555 8.43433 -104.302 -46.2532 1.25644 PRESSAVG: 968400 -60.9667 -9.7558 24.5658 -9.75583 57.6577 -3.73079 24.5658 -3.73077 23.0483 GPRESSAVG: 968400 -61.6106 -8.65527 23.8786 -11.1193 58.4979 -1.38036 25.4343 -5.01824 22.6163 TIMING: 968400 CPU: 3048.57, 0.00321968/step Wall: 3048.57, 0.00321968/step, 3.60568 hours remaining, 236.832031 MB of memory in use. ENERGY: 968400 3983.2466 20680.5826 14445.2785 230.5744 -203270.5833 2667.2102 0.0000 0.0000 52312.8270 -108950.8641 300.6425 -161263.6911 -108598.4593 300.5542 52.4507 76.1269 760778.3779 6.5798 6.5012 PRESSURE: 968600 -592.986 -44.3281 218.231 -44.327 -29.2554 -3.57671 218.231 -3.57724 -30.829 GPRESSURE: 968600 -431.448 -102.46 206.438 8.83195 -40.4486 102.986 258.29 48.7536 -92.0345 PRESSAVG: 968600 11.8071 -24.2727 -2.80412 -24.2727 7.1036 37.3106 -2.80414 37.3105 19.0316 GPRESSAVG: 968600 12.5888 -23.0363 -1.60635 -22.7304 5.92826 36.8395 -2.96126 38.2732 19.3293 TIMING: 968600 CPU: 3049.19, 0.00314041/step Wall: 3049.19, 0.00314041/step, 3.51674 hours remaining, 236.898438 MB of memory in use. ENERGY: 968600 4055.0889 20438.5417 14458.3596 251.1023 -202822.5952 2376.3038 0.0000 0.0000 52079.1266 -109164.0724 299.2995 -161243.1990 -108806.5327 300.1554 -217.6903 -187.9769 762439.7537 12.6474 12.6155 PRESSURE: 968800 -55.4883 -179.62 153.647 -179.619 327.541 199.579 153.649 199.579 226.038 GPRESSURE: 968800 17.5764 -226.91 142.644 -203.92 355.157 160.697 113.88 250.601 220.077 PRESSAVG: 968800 3.28408 -44.5681 2.61743 -44.568 42.7704 27.3354 2.61751 27.3354 -4.45526 GPRESSAVG: 968800 2.64756 -44.948 2.19167 -46.2404 43.7939 26.1189 3.67462 28.2733 -4.50194 TIMING: 968800 CPU: 3049.82, 0.0031493/step Wall: 3049.82, 0.0031493/step, 3.52651 hours remaining, 236.898438 MB of memory in use. ENERGY: 968800 4029.0020 20498.9145 14460.2862 235.9268 -203676.1430 2974.8405 0.0000 0.0000 52051.0913 -109426.0817 299.1383 -161477.1729 -109061.8823 299.6703 166.0302 197.6034 761537.1066 13.8664 13.9799 PRESSURE: 969000 -112.517 -41.7261 -5.72366 -41.7263 -301.695 -49.5793 -5.72301 -49.5802 190.528 GPRESSURE: 969000 -64.9138 24.2947 -80.1988 -9.28708 -313.195 -49.3555 -135.89 -127.584 212.447 PRESSAVG: 969000 -28.5442 1.02724 -36.7771 1.0273 31.0847 15.5609 -36.7771 15.5609 7.58425 GPRESSAVG: 969000 -29.5798 0.0342109 -36.4967 1.04351 32.3399 16.7659 -37.7833 14.4523 7.38159 TIMING: 969000 CPU: 3050.45, 0.0031506/step Wall: 3050.45, 0.0031506/step, 3.5278 hours remaining, 236.898438 MB of memory in use. ENERGY: 969000 3972.1041 20537.9764 14391.3685 258.0427 -202599.2388 2265.9340 0.0000 0.0000 52136.0722 -109037.7409 299.6267 -161173.8130 -108671.9882 299.8091 -74.5613 -55.2205 761753.9928 3.3749 3.3806 PRESSURE: 969200 -93.5449 -10.8554 278.475 -10.856 287.117 327.805 278.475 327.804 -52.4918 GPRESSURE: 969200 -51.1212 50.8366 289.54 122.46 263.949 270.796 366.529 325.847 -10.9826 PRESSAVG: 969200 27.8722 11.5167 72.6004 11.5168 19.9864 19.528 72.6004 19.528 -23.6783 GPRESSAVG: 969200 28.0017 11.5957 72.6387 12.4868 19.04 18.3481 72.027 23.9945 -23.2141 TIMING: 969200 CPU: 3051.08, 0.00314615/step Wall: 3051.08, 0.00314615/step, 3.52264 hours remaining, 236.898438 MB of memory in use. ENERGY: 969200 4043.7297 20564.1785 14474.8523 255.5011 -203114.2021 2553.9480 0.0000 0.0000 52155.1596 -109066.8330 299.7364 -161221.9925 -108704.8406 299.9786 47.0268 67.2816 760952.6997 8.0601 7.9426 PRESSURE: 969400 -319.38 59.0927 -104.111 59.0918 -84.1099 17.8158 -104.11 17.8164 -220.782 GPRESSURE: 969400 -133.045 22.5465 -61.3963 107.152 -123.125 50.8232 -158.958 136.378 -294.254 PRESSAVG: 969400 19.4052 -28.6949 33.6845 -28.6949 -13.6346 32.8879 33.6845 32.8878 3.07097 GPRESSAVG: 969400 20.3386 -26.622 32.1437 -30.7529 -13.3602 32.8634 35.887 30.6811 2.30742 TIMING: 969400 CPU: 3051.71, 0.00313707/step Wall: 3051.71, 0.00313707/step, 3.5123 hours remaining, 236.898438 MB of memory in use. ENERGY: 969400 3989.0099 20686.4640 14342.2109 256.8635 -203389.8952 2503.5397 0.0000 0.0000 52198.9621 -109412.8450 299.9882 -161611.8072 -109044.5141 299.9425 -208.0907 -183.4747 762155.2089 2.9472 3.0953 PRESSURE: 969600 -61.4081 -135.543 -129.583 -135.543 -12.6986 31.035 -129.582 31.0343 -182.935 GPRESSURE: 969600 -65.7773 -64.9258 -115.044 -62.0739 8.91612 21.3671 -85.7349 72.1774 -102.146 PRESSAVG: 969600 12.9114 -84.8558 30.0167 -84.8558 -9.38705 18.6042 30.0167 18.6043 0.936113 GPRESSAVG: 969600 12.0388 -85.8284 29.4168 -84.2128 -9.12474 19.2928 28.6254 17.4903 1.57804 TIMING: 969600 CPU: 3052.34, 0.00314048/step Wall: 3052.34, 0.00314048/step, 3.51594 hours remaining, 236.898438 MB of memory in use. ENERGY: 969600 4031.1668 20776.5579 14443.7677 226.4698 -203489.1068 2709.0091 0.0000 0.0000 51924.5176 -109377.6180 298.4109 -161302.1355 -109023.3334 299.6149 -85.6806 -53.0025 761429.5647 1.4868 1.4974 PRESSURE: 969800 283.691 -103.764 8.12637 -103.765 113.793 85.7457 8.12595 85.7458 140.375 GPRESSURE: 969800 287.178 -147.658 -71.6466 -178.137 160.326 70.0469 -95.9581 71.2692 160.954 PRESSAVG: 969800 -2.39997 -30.5402 -19.061 -30.5402 -1.95404 16.4352 -19.0609 16.4351 -11.9941 GPRESSAVG: 969800 -2.44854 -29.5077 -17.7709 -30.3024 -2.339 16.568 -18.9841 15.4476 -10.941 TIMING: 969800 CPU: 3052.97, 0.00313374/step Wall: 3052.97, 0.00313374/step, 3.50823 hours remaining, 236.898438 MB of memory in use. ENERGY: 969800 3901.7620 20629.4893 14456.3347 251.3106 -203415.4341 2596.0593 0.0000 0.0000 52188.6594 -109391.8188 299.9289 -161580.4782 -109029.7473 299.4467 179.2863 202.8192 760827.2526 -5.4494 -5.2428 PRESSURE: 970000 308.281 254.102 208.629 254.102 193.576 -26.0787 208.628 -26.0803 170.472 GPRESSURE: 970000 309.727 143.175 141.433 217.565 213.319 80.3653 160.812 -42.7853 230.672 PRESSAVG: 970000 75.9736 -22.9103 42.607 -22.9103 -17.3285 22.0385 42.6071 22.0385 -11.2575 GPRESSAVG: 970000 75.3938 -23.3884 42.7938 -23.8332 -16.733 21.7248 41.9414 24.023 -11.511 TIMING: 970000 CPU: 3053.6, 0.00315547/step Wall: 3053.6, 0.00315547/step, 3.53237 hours remaining, 236.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 970000 3927.4547 20722.7152 14477.1654 263.4847 -203251.3965 2249.9171 0.0000 0.0000 52079.1066 -109531.5528 299.2993 -161610.6594 -109164.8258 299.6448 224.1098 251.2394 760651.8246 15.7958 15.7166 PRESSURE: 970200 -96.3752 -14.4831 -45.8763 -14.4832 659.918 -34.5458 -45.8768 -34.5461 138.544 GPRESSURE: 970200 -31.9895 19.7578 -64.0407 56.1625 713.035 35.3163 -29.102 -119.095 131.586 PRESSAVG: 970200 -76.5752 -47.5813 36.1275 -47.5813 44.1505 19.3083 36.1275 19.3083 28.8081 GPRESSAVG: 970200 -76.2518 -49.6109 35.1226 -45.3631 44.9002 18.9098 39.4763 17.9125 28.3671 TIMING: 970200 CPU: 3054.22, 0.00314211/step Wall: 3054.22, 0.00314211/step, 3.51724 hours remaining, 236.898438 MB of memory in use. ENERGY: 970200 3929.2566 20534.5583 14443.3274 247.7698 -203727.3530 2766.1885 0.0000 0.0000 52181.6403 -109624.6121 299.8886 -161806.2524 -109259.6473 298.9764 234.0292 270.8769 761221.4728 -1.2055 -0.9948 PRESSURE: 970400 -121.714 -53.1282 -325.45 -53.1277 -351.958 -192.185 -325.449 -192.185 -151.727 GPRESSURE: 970400 -159.707 -83.1619 -242.795 -233.927 -248.809 -208.779 -338.036 -139.89 -135.802 PRESSAVG: 970400 -1.16127 9.56641 27.5492 9.56643 -5.67527 38.5177 27.5491 38.5176 0.325471 GPRESSAVG: 970400 -1.13752 10.925 28.3573 8.46487 -5.66064 37.9651 26.2606 38.4245 0.160686 TIMING: 970400 CPU: 3054.86, 0.00315923/step Wall: 3054.86, 0.00315923/step, 3.53624 hours remaining, 236.898438 MB of memory in use. ENERGY: 970400 4021.9137 20657.4904 14442.4516 245.3226 -203255.3974 2204.6907 0.0000 0.0000 52013.3310 -109670.1974 298.9213 -161683.5284 -109309.8142 299.2558 -208.4662 -181.4392 762150.9859 -2.1704 -2.2125 PRESSURE: 970600 243.456 -122.402 134.949 -122.402 186.916 -166.955 134.949 -166.956 52.3813 GPRESSURE: 970600 196.154 -219.356 163.688 -100.386 240.286 -276.992 44.3068 -188.397 105.445 PRESSAVG: 970600 5.6271 -11.6928 8.13449 -11.6928 -4.81752 -0.980461 8.13442 -0.980452 1.63683 GPRESSAVG: 970600 5.49293 -11.0099 9.19682 -11.9414 -5.43171 0.235614 6.91137 -1.12479 2.38101 TIMING: 970600 CPU: 3055.49, 0.00314504/step Wall: 3055.49, 0.00314504/step, 3.52017 hours remaining, 236.898438 MB of memory in use. ENERGY: 970600 4001.4015 20839.6225 14429.6676 236.4423 -203863.9563 2770.6022 0.0000 0.0000 52081.3525 -109504.8676 299.3122 -161586.2201 -109146.9193 299.0565 160.9178 180.6282 761116.3516 0.8155 0.8141 PRESSURE: 970800 -435.155 -240.327 92.9772 -240.327 80.1994 -109.072 92.9774 -109.073 89.0868 GPRESSURE: 970800 -359.942 -185.154 13.2826 -315.623 109.89 -39.8413 96.765 -123.628 54.9488 PRESSAVG: 970800 -27.2087 -54.1534 -10.3074 -54.1535 9.56917 47.0575 -10.3073 47.0575 -4.84923 GPRESSAVG: 970800 -26.0254 -54.9846 -14.0645 -53.7101 9.22373 47.467 -10.2709 46.9051 -5.43125 TIMING: 970800 CPU: 3056.12, 0.00315464/step Wall: 3056.12, 0.00315464/step, 3.53074 hours remaining, 236.898438 MB of memory in use. ENERGY: 970800 3949.5320 20617.0115 14408.0543 251.5711 -203596.0800 2601.2590 0.0000 0.0000 52168.6624 -109599.9898 299.8140 -161768.6522 -109233.7916 299.2700 -88.6229 -65.0343 763032.9576 -7.4963 -7.4110 PRESSURE: 971000 -121.465 -178.886 -169.96 -178.885 -246.193 47.7895 -169.959 47.7895 307.836 GPRESSURE: 971000 -106.271 -250.156 -243.432 -105.107 -149.108 -21.6423 -147.854 -63.4668 280.253 PRESSAVG: 971000 6.28243 -17.4321 -36.0527 -17.4321 -18.763 22.4216 -36.0527 22.4217 6.85306 GPRESSAVG: 971000 6.41142 -18.1947 -32.5037 -16.6751 -18.4171 21.7413 -35.4591 23.7164 6.75701 TIMING: 971000 CPU: 3056.75, 0.00314981/step Wall: 3056.75, 0.00314981/step, 3.52517 hours remaining, 236.898438 MB of memory in use. ENERGY: 971000 3972.8314 20657.2191 14482.4908 215.9656 -203595.1187 2572.7972 0.0000 0.0000 52086.5414 -109607.2731 299.3421 -161693.8146 -109251.1285 299.1183 -19.9408 8.2911 760008.8994 -1.8759 -1.7496 PRESSURE: 971200 -203.136 -127.79 -10.2508 -127.791 114.197 167.516 -10.2512 167.517 -140.458 GPRESSURE: 971200 -64.0423 -74.2766 -9.37939 -131.016 69.4199 301.792 1.61151 78.3237 -156.935 PRESSAVG: 971200 27.521 32.7904 -28.4561 32.7904 0.651524 28.8462 -28.4561 28.8462 -11.4636 GPRESSAVG: 971200 27.0984 34.8151 -28.7569 33.8415 -0.377628 28.8494 -28.7081 25.8911 -10.2425 TIMING: 971200 CPU: 3057.38, 0.00315683/step Wall: 3057.38, 0.00315683/step, 3.53285 hours remaining, 236.898438 MB of memory in use. ENERGY: 971200 3891.4335 20421.5577 14517.9937 248.6555 -203707.0774 2688.4106 0.0000 0.0000 52103.6998 -109835.3265 299.4407 -161939.0263 -109476.2476 298.9342 -76.4658 -50.5190 761710.7047 5.5696 5.4928 PRESSURE: 971400 -41.7301 -56.6446 67.6545 -56.6444 -2.72761 -255.688 67.6543 -255.688 -259.335 GPRESSURE: 971400 24.339 -205.214 76.2756 -94.0555 30.3127 -221.397 -70.3926 -130.454 -277.844 PRESSAVG: 971400 9.30223 3.90038 -18.8869 3.90032 3.9593 31.6317 -18.8868 31.6318 -7.51735 GPRESSAVG: 971400 11.2663 0.470271 -18.6954 1.65276 3.68068 31.2133 -20.6505 34.0005 -9.44208 TIMING: 971400 CPU: 3058.01, 0.00315225/step Wall: 3058.01, 0.00315225/step, 3.52755 hours remaining, 236.898438 MB of memory in use. ENERGY: 971400 3960.4922 20423.8368 14468.6882 239.6418 -203580.0264 2612.2583 0.0000 0.0000 51978.1935 -109896.9156 298.7194 -161875.1092 -109545.8999 298.2147 -101.2643 -74.3974 762699.2278 1.9147 1.8350 PRESSURE: 971600 -83.4021 -37.3286 30.7076 -37.3282 170.728 54.8997 30.7079 54.9004 -68.585 GPRESSURE: 971600 -25.7552 18.7156 1.64166 -20.6276 137.422 -16.992 63.1995 -6.6089 10.8699 PRESSAVG: 971600 57.5574 -30.0084 -21.9932 -30.0084 -34.5048 35.5789 -21.9932 35.5788 11.6098 GPRESSAVG: 971600 56.0326 -27.9764 -21.6726 -28.3688 -34.1385 35.0816 -21.1161 35.3823 12.6582 TIMING: 971600 CPU: 3058.64, 0.00315963/step Wall: 3058.64, 0.00315963/step, 3.53562 hours remaining, 236.898438 MB of memory in use. ENERGY: 971600 4016.7300 20359.5054 14396.4054 221.5134 -203608.5109 2743.4682 0.0000 0.0000 52029.4149 -109841.4737 299.0138 -161870.8886 -109476.7209 298.2411 6.2471 40.8457 762628.8994 11.5542 11.5174 PRESSURE: 971800 4.79335 240.435 122.878 240.436 -209.291 25.3417 122.878 25.3416 -277.262 GPRESSURE: 971800 65.8751 270.895 131.822 206.577 -167.76 -56.0198 31.0226 -132.507 -262.014 PRESSAVG: 971800 27.1894 -8.84857 -26.6104 -8.84853 -43.6331 -42.9875 -26.6104 -42.9876 -42.9803 GPRESSAVG: 971800 26.7192 -9.47541 -27.6377 -10.2339 -42.6688 -41.3287 -27.4572 -44.0341 -42.9865 TIMING: 971800 CPU: 3059.27, 0.00314662/step Wall: 3059.27, 0.00314662/step, 3.52089 hours remaining, 236.898438 MB of memory in use. ENERGY: 971800 3996.9435 20390.0592 14494.7810 232.1459 -203722.3488 2809.0395 0.0000 0.0000 51971.4026 -109827.9771 298.6804 -161799.3797 -109461.3196 298.5389 -160.5866 -121.2998 761715.3239 -19.8080 -19.6454 PRESSURE: 972000 71.2102 15.5241 64.3068 15.5247 -314.994 -130.663 64.3065 -130.663 -43.4241 GPRESSURE: 972000 30.6246 111.328 26.6365 -48.191 -224.837 -127.892 39.5825 -147.869 -9.60498 PRESSAVG: 972000 36.2351 -22.5716 -57.4139 -22.5716 -57.0498 0.33392 -57.4139 0.333923 0.262536 GPRESSAVG: 972000 37.6319 -21.8378 -58.5583 -22.4801 -58.1 -1.08189 -55.7557 -0.00848671 0.997522 TIMING: 972000 CPU: 3059.9, 0.0031424/step Wall: 3059.9, 0.0031424/step, 3.516 hours remaining, 236.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 972000 3982.5431 20399.5295 14500.1144 238.4140 -203725.9114 2793.4358 0.0000 0.0000 52095.7241 -109716.1505 299.3948 -161811.8746 -109358.9460 299.1527 -95.7360 -67.9392 760739.5314 -6.8507 -6.4902 PRESSURE: 972200 108.102 -58.0148 -76.9046 -58.0153 -293.509 -72.1025 -76.9057 -72.1031 101.642 GPRESSURE: 972200 53.1731 -71.4245 -84.4989 -9.32133 -233.262 -32.8486 -110.742 131.034 170.022 PRESSAVG: 972200 -21.1485 -37.6395 -17.4751 -37.6395 -20.9261 45.1942 -17.4751 45.1942 -22.087 GPRESSAVG: 972200 -21.1562 -37.3221 -15.8473 -36.5001 -20.9754 45.8999 -16.682 48.8519 -21.5597 TIMING: 972200 CPU: 3060.53, 0.00315978/step Wall: 3060.53, 0.00315978/step, 3.53527 hours remaining, 236.898438 MB of memory in use. ENERGY: 972200 4012.0265 20509.5399 14483.2137 231.4382 -203300.7033 2420.5054 0.0000 0.0000 51882.4866 -109761.4932 298.1694 -161643.9797 -109398.8608 298.7450 -27.9213 -3.3558 761631.5468 -21.3872 -21.2304 LDB: ============= START OF LOAD BALANCING ============== 3072.93 LDB: ============== END OF LOAD BALANCING =============== 3072.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3072.93 LDB: ============= START OF LOAD BALANCING ============== 3073.25 LDB: Largest compute 7078 load 0.035398 is 18.1% of average load 0.196029 LDB: Average compute 0.004396 is 2.2% of average load 0.196029 LDB: TIME 3073.25 LOAD: AVG 0.196029 MAX 0.213344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.305 MB LDB: TIME 3073.25 LOAD: AVG 0.196029 MAX 0.213344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.398 MB LDB: TIME 3073.25 LOAD: AVG 0.196029 MAX 0.213344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.398 MB LDB: ============== END OF LOAD BALANCING =============== 3073.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3073.26 PRESSURE: 972400 71.9475 -26.0948 158.519 -26.0948 168.811 -102.91 158.518 -102.911 -98.4107 GPRESSURE: 972400 86.1714 -96.7419 176.025 -23.7794 235.386 -151.928 76.232 -95.177 -84.8764 PRESSAVG: 972400 26.6304 -30.296 -9.99279 -30.296 11.9707 67.0206 -9.9928 67.0206 -10.2728 GPRESSAVG: 972400 25.8772 -29.9135 -9.61805 -30.7392 14.3271 66.3743 -12.4087 66.3311 -11.7177 TIMING: 972400 CPU: 3061.18, 0.00324629/step Wall: 3061.18, 0.00324629/step, 3.63187 hours remaining, 238.636719 MB of memory in use. ENERGY: 972400 3975.9729 20523.0305 14453.2394 254.4080 -203487.7099 2675.9411 0.0000 0.0000 51963.3203 -109641.7977 298.6339 -161605.1180 -109278.5566 298.7705 47.4491 78.8938 760658.8476 9.4428 9.4955 PRESSURE: 972600 -20.822 -188.74 -275.742 -188.741 -180.039 -87.6223 -275.743 -87.6227 61.2584 GPRESSURE: 972600 -0.421816 -92.8436 -313.328 -129.219 -143.846 -85.1811 -225.284 -211.531 87.6963 PRESSAVG: 972600 -32.6511 -32.6079 -20.3142 -32.6079 32.7191 -35.3571 -20.3142 -35.357 2.68827 GPRESSAVG: 972600 -31.8712 -32.7971 -20.6573 -31.0074 31.5649 -34.2155 -20.1261 -37.013 3.24578 TIMING: 972600 CPU: 3061.81, 0.00316528/step Wall: 3061.81, 0.00316528/step, 3.54107 hours remaining, 238.839844 MB of memory in use. ENERGY: 972600 3961.4122 20498.3739 14426.5009 242.8039 -203193.2007 2381.1661 0.0000 0.0000 52162.5715 -109520.3722 299.7790 -161682.9437 -109154.6397 298.8691 -46.5341 -18.8571 760756.3737 0.9188 0.9798 PRESSURE: 972800 -171.275 -161.167 222.096 -161.168 17.5043 -86.3723 222.095 -86.3728 286.917 GPRESSURE: 972800 -84.617 -109.858 142.469 -223.459 15.7315 -28.0356 219.759 68.5712 276.557 PRESSAVG: 972800 20.2592 -65.7226 12.3404 -65.7226 -3.51152 -6.59556 12.3404 -6.59553 27.29 GPRESSAVG: 972800 20.681 -63.5892 11.1031 -68.0587 -4.09481 -7.7267 12.8174 -7.30465 26.4298 TIMING: 972800 CPU: 3062.44, 0.00315371/step Wall: 3062.44, 0.00315371/step, 3.52795 hours remaining, 238.839844 MB of memory in use. ENERGY: 972800 3950.9630 20409.5403 14467.1798 242.3653 -202974.9025 2530.8095 0.0000 0.0000 51974.0399 -109400.0047 298.6955 -161374.0446 -109039.4058 299.7309 44.3822 69.2240 761002.8120 14.6792 14.3386 PRESSURE: 973000 73.2106 -159.699 83.6781 -159.7 0.800791 -248.422 83.6778 -248.423 140.16 GPRESSURE: 973000 118.309 -102.654 53.7437 -131.124 16.3246 -261.963 118.991 -241.325 158.234 PRESSAVG: 973000 46.8105 -47.4519 48.0336 -47.452 -43.0732 2.4848 48.0337 2.48475 7.50853 GPRESSAVG: 973000 46.3045 -48.9335 47.4687 -45.3409 -42.5888 2.46587 48.6433 3.65636 7.80389 TIMING: 973000 CPU: 3063.07, 0.00315737/step Wall: 3063.07, 0.00315737/step, 3.53187 hours remaining, 238.839844 MB of memory in use. ENERGY: 973000 3957.9241 20474.6090 14474.4549 260.5200 -203498.1527 2721.9842 0.0000 0.0000 52114.8020 -109493.8585 299.5045 -161608.6604 -109131.8758 299.1298 71.3904 97.6225 761070.9211 3.7486 3.8399 PRESSURE: 973200 -51.9815 -246.177 194.788 -246.178 -233.89 123.055 194.787 123.055 88.6471 GPRESSURE: 973200 29.5816 -187.327 181.848 -217.213 -263.353 13.495 156.143 34.0321 138.406 PRESSAVG: 973200 -22.4649 -57.7864 48.6249 -57.7865 -20.5664 -8.43369 48.6249 -8.43372 18.7527 GPRESSAVG: 973200 -22.4045 -56.9351 49.4769 -60.1954 -20.8399 -8.74759 49.2065 -7.98633 18.5436 TIMING: 973200 CPU: 3063.71, 0.00316067/step Wall: 3063.71, 0.00316067/step, 3.53539 hours remaining, 238.839844 MB of memory in use. ENERGY: 973200 3976.7658 20593.8277 14434.5003 238.1174 -203543.0093 2707.1662 0.0000 0.0000 52294.5706 -109298.0613 300.5376 -161592.6319 -108941.7255 299.5831 -65.7414 -31.7885 761320.5360 -8.0929 -8.2336 PRESSURE: 973400 -251.746 -88.1307 -95.6366 -88.1307 -299.913 129.674 -95.6373 129.675 353.585 GPRESSURE: 973400 -169.403 -107.483 -90.0488 -87.1959 -291.863 115.234 -118.012 183.205 347.392 PRESSAVG: 973400 50.2153 23.0781 44.8621 23.0781 -43.1833 2.14106 44.862 2.14107 2.285 GPRESSAVG: 973400 50.2596 23.013 45.0011 24.6003 -43.6513 2.84312 42.5528 0.560628 2.12311 TIMING: 973400 CPU: 3064.34, 0.00316595/step Wall: 3064.34, 0.00316595/step, 3.54112 hours remaining, 238.839844 MB of memory in use. ENERGY: 973400 3950.7494 20598.6986 14431.1390 237.3144 -203438.3094 2739.1684 0.0000 0.0000 52311.6176 -109169.6220 300.6356 -161481.2396 -108801.2426 300.2391 -66.0245 -37.9581 762874.4069 3.1056 2.9105 PRESSURE: 973600 59.5309 42.3758 86.7441 42.3764 -257.779 71.5687 86.7447 71.5687 -191.391 GPRESSURE: 973600 79.3695 49.1108 62.7516 -13.771 -269.782 88.4753 56.2901 102.317 -104.302 PRESSAVG: 973600 64.3908 -19.3747 1.35384 -19.3747 -22.6875 46.2079 1.35382 46.208 -18.2082 GPRESSAVG: 973600 64.9466 -19.9226 1.32156 -19.6294 -23.5439 47.0057 3.64576 48.4347 -17.8042 TIMING: 973600 CPU: 3064.98, 0.00318081/step Wall: 3064.98, 0.00318081/step, 3.55756 hours remaining, 238.839844 MB of memory in use. ENERGY: 973600 4056.3493 20621.2093 14531.9012 244.3142 -203084.3084 2375.8538 0.0000 0.0000 52108.0905 -109146.5900 299.4659 -161254.6805 -108779.4286 300.3008 -129.8795 -98.2384 762290.1309 7.8317 7.8662 PRESSURE: 973800 -26.7215 -53.1154 266.418 -53.1144 306.176 72.1432 266.419 72.1434 -442.635 GPRESSURE: 973800 39.4696 -254.303 215.153 -14.8382 319.907 65.8022 113.458 42.7296 -424.691 PRESSAVG: 973800 -13.4904 -17.9397 -28.3124 -17.9397 9.85157 45.3976 -28.3124 45.3975 2.97632 GPRESSAVG: 973800 -13.2769 -17.3568 -27.5192 -18.0589 9.35981 44.2286 -29.6218 44.0647 3.52053 TIMING: 973800 CPU: 3065.61, 0.00316754/step Wall: 3065.61, 0.00316754/step, 3.54254 hours remaining, 238.839844 MB of memory in use. ENERGY: 973800 3942.3195 20618.2647 14484.9967 248.8704 -203757.7381 2639.8223 0.0000 0.0000 52444.6943 -109378.7701 301.4004 -161823.4644 -109009.8723 300.2311 -54.3935 -21.7713 760395.6537 -0.2208 -0.1322 PRESSURE: 974000 -351.768 -36.921 -76.6417 -36.9212 -146.575 73.2161 -76.6419 73.2167 80.0023 GPRESSURE: 974000 -178.104 72.5173 -133.202 -0.577539 -165.772 40.7767 -125.926 53.1419 1.25193 PRESSAVG: 974000 60.2209 -0.686067 -14.1933 -0.686012 -49.5063 50.5828 -14.1933 50.5829 15.2868 GPRESSAVG: 974000 59.7904 -1.86312 -15.0684 0.539924 -47.0968 51.2643 -14.1347 51.592 13.5447 TIMING: 974000 CPU: 3066.24, 0.00316342/step Wall: 3066.24, 0.00316342/step, 3.53776 hours remaining, 238.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 974000 3924.4332 20618.6462 14465.7866 252.8062 -203165.0288 2444.9496 0.0000 0.0000 51847.1622 -109611.2447 297.9664 -161458.4069 -109247.4742 299.7081 -139.4470 -114.2079 761988.8433 8.6671 8.7461 PRESSURE: 974200 -52.1399 -63.7498 47.7642 -63.7502 -144.998 61.634 47.7655 61.6337 -0.502652 GPRESSURE: 974200 16.2817 -140.893 90.6318 5.2776 -163.975 55.6482 152.464 69.3047 7.37894 PRESSAVG: 974200 44.0741 -74.6865 1.24003 -74.6865 -17.4552 0.155161 1.24006 0.155129 -3.8276 GPRESSAVG: 974200 44.2851 -73.7042 2.39821 -74.5119 -18.7808 -0.272454 0.281353 0.894225 -3.08633 TIMING: 974200 CPU: 3066.87, 0.00314803/step Wall: 3066.87, 0.00314803/step, 3.52038 hours remaining, 238.839844 MB of memory in use. ENERGY: 974200 3947.0114 20629.7544 14483.7130 222.8537 -203619.1911 2658.8782 0.0000 0.0000 52195.3799 -109481.6004 299.9676 -161676.9803 -109118.7641 299.0746 -65.8801 -46.7713 761877.7578 7.5971 7.4726 PRESSURE: 974400 -170.138 -56.1999 -85.4477 -56.2 -229.364 -41.7653 -85.4471 -41.7648 -294.124 GPRESSURE: 974400 -248.259 -11.5111 -116.072 -57.061 -161.622 43.2993 -53.4703 -32.6485 -192.139 PRESSAVG: 974400 3.43062 -48.0629 13.4394 -48.063 -2.00993 -29.7962 13.4395 -29.7962 5.35128 GPRESSAVG: 974400 1.44232 -50.3039 12.4982 -46.1064 -0.867237 -30.2286 13.7104 -30.3951 5.79787 TIMING: 974400 CPU: 3067.5, 0.00315562/step Wall: 3067.5, 0.00315562/step, 3.52868 hours remaining, 238.839844 MB of memory in use. ENERGY: 974400 3995.2811 20578.6379 14434.8944 245.5396 -203376.1973 2532.2126 0.0000 0.0000 51982.1004 -109607.5314 298.7418 -161589.6318 -109261.6161 299.5497 -231.2088 -200.6731 761100.1909 2.2573 2.1243 PRESSURE: 974600 -181.373 -92.223 18.4723 -92.2229 293.688 -120.244 18.4725 -120.243 -109.631 GPRESSURE: 974600 -122.827 18.6989 0.940538 -75.0798 290.712 -61.8431 -63.4275 -101.974 -66.0237 PRESSAVG: 974600 26.5145 -16.9584 -37.6963 -16.9583 23.9858 30.479 -37.6963 30.4789 3.46067 GPRESSAVG: 974600 28.3546 -14.3769 -38.006 -20.797 22.2283 31.4741 -37.2802 31.9391 3.66682 TIMING: 974600 CPU: 3068.13, 0.00315203/step Wall: 3068.13, 0.00315203/step, 3.52449 hours remaining, 238.839844 MB of memory in use. ENERGY: 974600 4110.0161 20522.9223 14430.2201 259.0275 -203359.2704 2441.2498 0.0000 0.0000 51841.5821 -109754.2525 297.9343 -161595.8346 -109391.6169 299.1532 0.8944 33.9535 760013.8876 17.9870 18.0832 PRESSURE: 974800 -225.221 -77.8326 -160.871 -77.8326 38.0812 -101.74 -160.87 -101.741 -21.3198 GPRESSURE: 974800 -229.108 -66.623 -109.301 -20.4044 106.64 -127.807 -191.929 -107.391 -4.70668 PRESSAVG: 974800 -36.075 -24.8119 -32.0383 -24.8119 -17.9394 -3.81534 -32.0383 -3.8153 3.39898 GPRESSAVG: 974800 -37.4793 -26.7921 -30.6828 -22.0149 -17.5075 -4.32111 -31.6661 -6.9184 4.51231 TIMING: 974800 CPU: 3068.76, 0.0031518/step Wall: 3068.76, 0.0031518/step, 3.52407 hours remaining, 238.839844 MB of memory in use. ENERGY: 974800 3958.7140 20433.2950 14420.4534 250.3613 -203375.9502 2469.2196 0.0000 0.0000 52111.4198 -109732.4872 299.4850 -161843.9069 -109362.9708 298.8244 -69.4864 -42.3917 760802.3225 -16.8718 -16.8248 PRESSURE: 975000 -311.795 -218.943 121.181 -218.943 -108.719 -173.596 121.181 -173.597 -180.652 GPRESSURE: 975000 -247.102 -234.023 17.4233 -181.507 -51.8972 -77.5204 248.044 -171.685 -204.535 PRESSAVG: 975000 1.12762 -37.9453 -10.3751 -37.9453 8.52265 -39.6309 -10.3751 -39.6309 13.6006 GPRESSAVG: 975000 1.86508 -34.7613 -12.4507 -40.58 8.3447 -38.1377 -10.0141 -38.2904 12.8324 TIMING: 975000 CPU: 3069.39, 0.00315268/step Wall: 3069.39, 0.00315268/step, 3.52487 hours remaining, 238.839844 MB of memory in use. ENERGY: 975000 3966.5362 20465.1092 14452.9497 237.3856 -203362.7084 2466.7596 0.0000 0.0000 52036.7894 -109737.1786 299.0561 -161773.9680 -109373.6018 299.0644 -200.3886 -167.8446 760355.6887 7.7503 7.6807 PRESSURE: 975200 176.447 76.4352 63.9065 76.435 136.539 4.36022 63.9068 4.35907 -304.113 GPRESSURE: 975200 247.69 198.475 59.5027 68.4801 86.18 -1.91555 82.3199 -94.8072 -240.062 PRESSAVG: 975200 14.6282 -35.065 41.3906 -35.065 8.26985 -31.7143 41.3906 -31.7143 2.05675 GPRESSAVG: 975200 14.3042 -35.2566 41.5837 -33.1673 8.60637 -32.8221 40.3858 -30.61 1.69625 TIMING: 975200 CPU: 3070.03, 0.0031589/step Wall: 3070.03, 0.00315889/step, 3.53164 hours remaining, 238.839844 MB of memory in use. ENERGY: 975200 4002.5995 20623.8688 14431.6671 247.9882 -203444.1654 2534.2279 0.0000 0.0000 52017.7780 -109586.0358 298.9469 -161603.8138 -109235.0416 299.5107 2.9577 31.2693 760557.7639 8.3183 8.2023 PRESSURE: 975400 -180.343 164.082 -9.79411 164.083 69.6801 -121.85 -9.79359 -121.85 -523.928 GPRESSURE: 975400 -144.334 75.7458 28.207 136.418 78.478 -33.5344 -51.375 -145.897 -505.263 PRESSAVG: 975400 22.5184 4.00105 17.5541 4.00103 -1.44847 -0.732424 17.5541 -0.732393 -12.2646 GPRESSAVG: 975400 22.2018 2.15327 18.2425 2.22065 -1.22467 -1.29452 15.9218 -3.14559 -12.2163 TIMING: 975400 CPU: 3070.66, 0.0031516/step Wall: 3070.66, 0.0031516/step, 3.52331 hours remaining, 238.839844 MB of memory in use. ENERGY: 975400 3914.0842 20374.8711 14487.9400 251.3739 -203545.0559 2660.7995 0.0000 0.0000 52138.5371 -109717.4501 299.6409 -161855.9872 -109360.2978 299.5194 -211.5302 -190.3731 759204.5595 2.9351 2.9203 PRESSURE: 975600 125.902 -83.8613 -42.9576 -83.861 -402.009 196.606 -42.9572 196.605 230.12 GPRESSURE: 975600 181.468 19.1779 -3.5773 0.706165 -335.318 171.262 -4.27293 268.183 184.763 PRESSAVG: 975600 -8.18771 -6.01379 24.2854 -6.01377 45.477 41.8081 24.2853 41.8081 4.6683 GPRESSAVG: 975600 -8.94441 -3.66072 25.0421 -4.15216 45.6871 42.771 24.9472 42.6714 5.65431 TIMING: 975600 CPU: 3071.29, 0.00316864/step Wall: 3071.29, 0.00316864/step, 3.54218 hours remaining, 238.839844 MB of memory in use. ENERGY: 975600 3986.0950 20474.9346 14461.2331 261.1357 -203260.7290 2184.1390 0.0000 0.0000 52037.0012 -109856.1905 299.0574 -161893.1917 -109495.0182 299.2576 -15.3290 10.3041 759625.8101 13.9859 14.1323 PRESSURE: 975800 19.8335 240.304 -251.696 240.304 49.9302 -2.42867 -251.696 -2.42787 505.579 GPRESSURE: 975800 133.816 289.217 -236.788 77.1955 -1.55013 27.6016 -281.388 7.1301 537.95 PRESSAVG: 975800 10.8604 -23.166 -2.24009 -23.166 -19.2813 39.2238 -2.24003 39.2238 19.0668 GPRESSAVG: 975800 12.7849 -24.624 -2.20835 -24.4215 -20.4269 37.6663 0.234978 38.659 18.6104 TIMING: 975800 CPU: 3071.92, 0.00317392/step Wall: 3071.92, 0.00317392/step, 3.54791 hours remaining, 238.839844 MB of memory in use. ENERGY: 975800 3904.7603 20439.0048 14533.3391 260.9045 -203431.0013 2618.0055 0.0000 0.0000 52006.9426 -109668.0444 298.8846 -161674.9870 -109295.9522 299.0301 191.7808 223.4050 759621.3935 3.5487 3.6561 PRESSURE: 976000 -174.032 103.776 24.636 103.776 -36.4433 88.8558 24.636 88.8553 252.804 GPRESSURE: 976000 -129.191 36.0024 122.424 90.6681 22.2367 76.1755 45.4482 28.9921 248.793 PRESSAVG: 976000 27.5888 8.66326 2.8081 8.66319 -7.69157 54.2903 2.80813 54.2904 4.36203 GPRESSAVG: 976000 26.8543 7.41729 3.8973 11.4352 -7.16688 56.5045 -0.33879 53.8055 4.56823 TIMING: 976000 CPU: 3072.56, 0.00317075/step Wall: 3072.56, 0.00317075/step, 3.5442 hours remaining, 238.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 976000 3940.2800 20583.9225 14464.0853 249.6044 -203598.5112 2532.3407 0.0000 0.0000 51989.1311 -109839.1471 298.7823 -161828.2782 -109480.9489 298.6959 14.1096 47.2798 759728.5161 8.0864 8.0852 PRESSURE: 976200 -54.2252 121.523 -99.3223 121.523 -63.4711 206.664 -99.323 206.666 -38.3523 GPRESSURE: 976200 -92.6779 47.6796 -154.471 73.1593 -14.0245 161.257 -34.3287 185.893 55.6016 PRESSAVG: 976200 -5.22371 -9.83049 -52.252 -9.83042 -7.03804 14.9999 -52.2521 14.9999 7.75767 GPRESSAVG: 976200 -5.31847 -9.37345 -53.7656 -9.72015 -7.65445 13.5151 -49.834 15.132 8.43378 TIMING: 976200 CPU: 3073.19, 0.00316816/step Wall: 3073.19, 0.00316817/step, 3.54113 hours remaining, 238.839844 MB of memory in use. ENERGY: 976200 3935.3223 20293.5904 14441.3266 248.4872 -203324.9144 2465.2028 0.0000 0.0000 52064.5152 -109876.4699 299.2155 -161940.9851 -109500.2001 298.8739 -52.0162 -17.0336 762269.6299 -1.5014 -1.5130 LDB: ============= START OF LOAD BALANCING ============== 3085.59 LDB: ============== END OF LOAD BALANCING =============== 3085.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3085.59 LDB: ============= START OF LOAD BALANCING ============== 3085.91 LDB: Largest compute 7078 load 0.033948 is 17.3% of average load 0.195969 LDB: Average compute 0.004392 is 2.2% of average load 0.195969 LDB: TIME 3085.91 LOAD: AVG 0.195969 MAX 0.2141 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.586 MB LDB: TIME 3085.91 LOAD: AVG 0.195969 MAX 0.2141 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: TIME 3085.91 LOAD: AVG 0.195969 MAX 0.2141 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3085.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3085.92 PRESSURE: 976400 -532.904 79.7289 23.6337 79.7294 -252.742 133.799 23.6338 133.801 -350.36 GPRESSURE: 976400 -585.325 123.128 -15.7415 157.221 -101.717 238.264 50.6989 -39.1831 -341.754 PRESSAVG: 976400 15.0083 12.8433 22.8693 12.8434 2.92594 87.6975 22.8692 87.6975 9.37732 GPRESSAVG: 976400 16.3134 14.8335 23.236 11.6382 2.18352 88.3262 21.2734 87.9909 8.68699 TIMING: 976400 CPU: 3073.84, 0.00322747/step Wall: 3073.84, 0.00322747/step, 3.60724 hours remaining, 236.265625 MB of memory in use. ENERGY: 976400 3987.0526 20247.8278 14378.3714 251.8185 -203523.5334 2479.7621 0.0000 0.0000 51948.8485 -110229.8525 298.5507 -162178.7010 -109856.1583 298.1502 -378.6691 -342.9319 761954.0295 9.1039 9.0613 PRESSURE: 976600 71.9515 -68.2657 141.282 -68.2665 -191.715 194.502 141.282 194.5 223.209 GPRESSURE: 976600 51.531 -166.241 155.435 -82.1397 -140.554 276.441 5.63852 63.6487 267.883 PRESSAVG: 976600 -18.9272 -32.1327 -36.656 -32.1327 -6.68603 43.8772 -36.6561 43.8772 -5.64865 GPRESSAVG: 976600 -20.1487 -32.5741 -37.2006 -34.3555 -6.63293 41.7521 -37.7574 43.0861 -4.86746 TIMING: 976600 CPU: 3074.48, 0.00318587/step Wall: 3074.48, 0.00318587/step, 3.56056 hours remaining, 236.265625 MB of memory in use. ENERGY: 976600 3949.1770 20297.6268 14465.7279 237.5843 -203932.3200 2906.6862 0.0000 0.0000 51827.9351 -110247.5828 297.8559 -162075.5179 -109873.3818 297.4501 34.4821 59.6200 761294.5583 -10.4206 -10.5497 PRESSURE: 976800 -117.093 -154.443 -9.43197 -154.444 197.764 151.454 -9.43245 151.454 8.92051 GPRESSURE: 976800 -106.025 -173.362 -11.6244 -34.7109 188.001 103.064 -182.798 236.737 101.119 PRESSAVG: 976800 -44.3345 -27.0884 17.1149 -27.0884 29.5569 5.55214 17.115 5.55207 -0.159547 GPRESSAVG: 976800 -44.7795 -28.7615 18.4769 -26.8173 30.5701 8.54905 18.3476 4.5456 -0.539017 TIMING: 976800 CPU: 3075.11, 0.00315963/step Wall: 3075.11, 0.00315963/step, 3.53106 hours remaining, 236.265625 MB of memory in use. ENERGY: 976800 3886.6656 20191.7161 14395.3931 242.6493 -203472.0875 2401.4371 0.0000 0.0000 52057.7718 -110296.4544 299.1767 -162354.2262 -109932.7593 297.5804 29.8637 61.0316 760207.7032 -4.9790 -4.9161 PRESSURE: 977000 312.436 -113.705 -16.2748 -113.705 -99.6548 136.513 -16.2749 136.513 -255.404 GPRESSURE: 977000 298.931 -172.599 -35.1423 -90.6287 6.82963 194.516 -32.3536 59.197 -245.629 PRESSAVG: 977000 44.8462 -37.2737 16.773 -37.2737 -24.9933 42.6127 16.773 42.6126 -6.12203 GPRESSAVG: 977000 45.8921 -37.0051 17.5791 -36.4601 -25.4627 41.6714 15.95 45.0129 -6.89589 TIMING: 977000 CPU: 3075.74, 0.00316214/step Wall: 3075.74, 0.00316214/step, 3.5337 hours remaining, 236.265625 MB of memory in use. ENERGY: 977000 3904.5515 20304.0522 14479.6007 265.1053 -203395.6354 2583.7710 0.0000 0.0000 51763.6840 -110094.8707 297.4866 -161858.5547 -109731.1210 298.0672 -14.2078 20.0441 761469.4481 4.5770 4.5112 PRESSURE: 977200 259.941 -2.81359 -31.5186 -2.81381 12.9477 140.693 -31.5189 140.692 281.094 GPRESSURE: 977200 135.903 90.5654 -49.1979 27.3833 135.791 49.1432 167.428 264.356 369.297 PRESSAVG: 977200 -8.72593 9.88612 -27.1242 9.88612 -9.91922 39.1911 -27.1242 39.1911 34.883 GPRESSAVG: 977200 -9.14069 11.6094 -29.1027 7.91836 -8.91812 39.5974 -25.838 38.9094 34.672 TIMING: 977200 CPU: 3076.37, 0.00315634/step Wall: 3076.37, 0.00315634/step, 3.52703 hours remaining, 236.265625 MB of memory in use. ENERGY: 977200 3965.0629 20381.0139 14549.6415 240.8149 -203257.0037 2458.0916 0.0000 0.0000 51729.2677 -109933.1112 297.2888 -161662.3790 -109576.7494 298.0816 184.6607 213.6638 761243.7875 5.4126 5.5377 PRESSURE: 977400 -199.314 109.075 76.1452 109.074 24.0816 -19.7636 76.1444 -19.7639 214.912 GPRESSURE: 977400 -61.99 150.239 107.446 -7.58621 -8.55196 77.2452 -34.0258 -2.13802 190.339 PRESSAVG: 977400 23.9269 -69.1567 -13.9569 -69.1566 -28.0932 -16.0139 -13.957 -16.014 -34.8391 GPRESSAVG: 977400 24.5153 -69.9314 -14.7817 -66.0089 -29.9666 -16.8503 -14.8486 -16.7589 -34.0716 TIMING: 977400 CPU: 3077, 0.0031593/step Wall: 3077, 0.0031593/step, 3.53016 hours remaining, 236.265625 MB of memory in use. ENERGY: 977400 4003.1156 20383.8247 14485.6332 250.4225 -203531.2255 2649.7492 0.0000 0.0000 51934.0072 -109824.4730 298.4655 -161758.4802 -109462.4791 298.0821 13.2264 39.9323 761695.7302 -13.0018 -13.1743 PRESSURE: 977600 39.1901 -151.962 -271.566 -151.963 182.763 73.0943 -271.565 73.0942 -170.3 GPRESSURE: 977600 11.1383 -226.588 -321.079 -69.4143 222.574 141.047 -202.33 98.3475 -111.749 PRESSAVG: 977600 30.6273 -71.0694 7.52004 -71.0694 -30.3208 27.7128 7.52002 27.7128 10.9358 GPRESSAVG: 977600 29.0709 -72.2335 7.97894 -71.6204 -29.0123 27.706 6.27226 29.3268 11.0961 TIMING: 977600 CPU: 3077.63, 0.00316134/step Wall: 3077.63, 0.00316134/step, 3.53227 hours remaining, 236.265625 MB of memory in use. ENERGY: 977600 3950.3398 20476.3226 14520.1471 236.4191 -204036.1834 2893.8048 0.0000 0.0000 52183.0427 -109776.1074 299.8967 -161959.1501 -109427.0938 298.0646 17.2177 40.6546 761140.7846 3.7474 3.7182 PRESSURE: 977800 -100.344 -93.6433 113.465 -93.6441 237.191 -24.079 113.465 -24.0788 -290.853 GPRESSURE: 977800 -58.9088 52.4664 197.818 85.0905 259.483 23.0334 28.9302 35.4403 -274.771 PRESSAVG: 977800 10.9732 -41.9563 -34.3436 -41.9563 17.6797 -18.0885 -34.3436 -18.0885 6.36363 GPRESSAVG: 977800 10.9016 -40.0441 -33.7792 -43.4771 18.1825 -18.0364 -33.1929 -17.6746 5.8509 TIMING: 977800 CPU: 3078.27, 0.00315489/step Wall: 3078.27, 0.00315489/step, 3.52489 hours remaining, 236.265625 MB of memory in use. ENERGY: 977800 3927.2729 20397.0267 14412.4018 244.6630 -203326.5943 2580.0492 0.0000 0.0000 51988.3580 -109776.8226 298.7778 -161765.1806 -109411.6100 298.7363 -51.3352 -24.7324 759732.7951 11.6722 11.6450 PRESSURE: 978000 21.3735 92.2325 83.6291 92.2325 -377.626 -25.6144 83.6295 -25.6146 -160.358 GPRESSURE: 978000 77.8392 90.2699 32.4114 19.1786 -314.975 -61.5069 80.849 40.4727 -189.855 PRESSAVG: 978000 75.0558 27.7786 -27.73 27.7787 -63.3409 -65.083 -27.7301 -65.083 22.7679 GPRESSAVG: 978000 76.6091 26.3689 -27.5864 29.8756 -64.6601 -64.9538 -28.8871 -66.0111 22.2077 TIMING: 978000 CPU: 3078.9, 0.00316267/step Wall: 3078.9, 0.00316267/step, 3.53341 hours remaining, 236.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 978000 3986.4667 20418.6113 14433.0359 257.4422 -203438.2379 2459.5227 0.0000 0.0000 52172.1817 -109710.9774 299.8342 -161883.1591 -109352.6789 298.4584 -172.2035 -142.3303 760870.3076 11.4943 11.3856 PRESSURE: 978200 -177.262 133.171 39.8374 133.171 -250.533 21.2239 39.8376 21.2243 -308.772 GPRESSURE: 978200 -215.976 110.363 -18.9501 24.8576 -272.166 -62.1804 64.6125 36.548 -168.418 PRESSAVG: 978200 66.2342 -8.82078 -47.0005 -8.82076 -68.0714 -20.0439 -47.0005 -20.0439 -0.594272 GPRESSAVG: 978200 65.394 -9.69201 -47.468 -9.49047 -68.5608 -22.2289 -45.2759 -20.0522 0.406613 TIMING: 978200 CPU: 3079.53, 0.00316511/step Wall: 3079.53, 0.00316511/step, 3.53595 hours remaining, 236.265625 MB of memory in use. ENERGY: 978200 3965.5997 20433.6038 14506.2367 244.7414 -202964.9440 2269.8134 0.0000 0.0000 51932.3285 -109612.6205 298.4558 -161544.9490 -109245.8984 298.8561 -245.5223 -218.8536 761055.1080 -0.8105 -0.9200 PRESSURE: 978400 -315.32 -127.433 147.78 -127.434 -52.9835 -31.7866 147.779 -31.7867 -145.912 GPRESSURE: 978400 -240.295 -188.909 85.8467 -154.815 -150.273 10.5664 39.0752 128.272 -42.3577 PRESSAVG: 978400 41.4754 -3.2661 35.1698 -3.26617 -16.9829 6.06212 35.1699 6.06214 5.35617 GPRESSAVG: 978400 40.186 -2.07361 36.4234 -4.20986 -16.5427 7.65336 32.6523 5.30502 6.66948 TIMING: 978400 CPU: 3080.17, 0.00317148/step Wall: 3080.17, 0.00317148/step, 3.54289 hours remaining, 236.265625 MB of memory in use. ENERGY: 978400 4013.5045 20486.5988 14531.2585 239.5476 -203241.7259 2236.9584 0.0000 0.0000 52058.7885 -109675.0697 299.1826 -161733.8582 -109317.6367 299.0575 -171.4051 -144.3084 760942.9216 9.9496 10.1043 PRESSURE: 978600 -20.9455 -50.9671 25.5693 -50.9661 143.887 -35.9156 25.5691 -35.9156 142.677 GPRESSURE: 978600 36.7487 -116.01 48.9998 -124.558 180.821 -73.0167 64.2458 22.0451 117.892 PRESSAVG: 978600 54.5378 2.53085 22.7137 2.53086 -66.2529 -2.56078 22.7136 -2.56083 -8.05055 GPRESSAVG: 978600 55.9459 3.08475 22.5944 0.441492 -65.8406 -3.66758 24.0364 0.086229 -10.1162 TIMING: 978600 CPU: 3080.8, 0.00314957/step Wall: 3080.8, 0.00314957/step, 3.51825 hours remaining, 236.265625 MB of memory in use. ENERGY: 978600 3955.4003 20480.8174 14514.2372 235.6462 -203196.6847 2433.3457 0.0000 0.0000 52011.3126 -109565.9253 298.9097 -161577.2379 -109201.1421 298.9138 88.5396 111.8208 760971.0195 -6.5885 -6.6703 PRESSURE: 978800 -38.2465 72.9435 166.731 72.9444 -208.164 135.213 166.73 135.213 -25.7945 GPRESSURE: 978800 34.4606 149.182 152.19 229.017 -179.89 249.941 172.567 163.825 -28.2938 PRESSAVG: 978800 52.4694 -7.95011 -14.3329 -7.95009 -33.3939 3.37552 -14.3328 3.37551 14.9113 GPRESSAVG: 978800 52.8248 -10.228 -13.7976 -5.17085 -34.2974 4.92048 -12.8312 0.901923 15.8263 TIMING: 978800 CPU: 3081.43, 0.00315598/step Wall: 3081.43, 0.00315598/step, 3.52523 hours remaining, 236.265625 MB of memory in use. ENERGY: 978800 4014.2770 20312.0875 14578.1727 246.4316 -203224.5632 2424.0734 0.0000 0.0000 51933.9265 -109715.5944 298.4650 -161649.5208 -109361.9476 299.1437 -90.7351 -57.9077 761276.8244 11.3289 11.4512 PRESSURE: 979000 19.118 29.7596 86.4694 29.7595 -114.179 -93.6313 86.4686 -93.6307 12.1277 GPRESSURE: 979000 13.126 -18.647 27.3466 -11.4776 -14.8508 -66.4375 106.185 -51.2904 18.8459 PRESSAVG: 979000 38.4037 -25.5083 -39.4827 -25.5083 -36.4599 8.30117 -39.4827 8.3011 -5.23428 GPRESSAVG: 979000 36.9177 -24.5375 -40.009 -27.2641 -35.5574 8.15268 -40.5238 10.5973 -4.6217 TIMING: 979000 CPU: 3082.06, 0.00315663/step Wall: 3082.06, 0.00315663/step, 3.52579 hours remaining, 236.265625 MB of memory in use. ENERGY: 979000 3987.0498 20214.9505 14533.1822 244.5763 -203185.9791 2381.8426 0.0000 0.0000 52035.8785 -109788.4993 299.0509 -161824.3778 -109425.0576 299.1590 -27.6446 5.7070 762097.9619 -1.0968 -1.0871 PRESSURE: 979200 -14.3888 -25.0496 -179.855 -25.0499 324.274 -43.0306 -179.854 -43.0307 757.771 GPRESSURE: 979200 191.673 -12.547 -180.863 24.9308 254.222 -35.8904 -35.6153 -52.593 700.941 PRESSAVG: 979200 1.79849 -48.167 2.51923 -48.167 -37.1552 -32.6529 2.51923 -32.6528 -32.3424 GPRESSAVG: 979200 3.32058 -48.5014 2.42194 -46.4151 -38.4099 -31.633 3.27977 -34.2533 -33.2304 TIMING: 979200 CPU: 3082.69, 0.00314599/step Wall: 3082.69, 0.00314599/step, 3.51372 hours remaining, 236.265625 MB of memory in use. ENERGY: 979200 3935.4409 20458.8296 14468.0104 227.4697 -203467.0237 2952.4613 0.0000 0.0000 51913.1299 -109511.6819 298.3455 -161424.8118 -109159.2442 298.7154 355.8855 382.2787 761149.7727 -22.5664 -22.7732 PRESSURE: 979400 -150.145 -268.967 -8.62785 -268.967 -121.852 -82.489 -8.62816 -82.4889 1.22505 GPRESSURE: 979400 -138.608 -216.681 -129.414 -207.858 -59.7148 4.6573 82.7778 -94.7443 14.2268 PRESSAVG: 979400 14.4858 -44.3801 -34.7647 -44.3801 0.880209 29.0118 -34.7647 29.0117 -4.86689 GPRESSAVG: 979400 13.51 -43.0663 -35.6511 -45.8988 2.38358 28.1019 -35.4884 30.44 -5.35697 TIMING: 979400 CPU: 3083.32, 0.00315421/step Wall: 3083.32, 0.00315421/step, 3.52273 hours remaining, 236.265625 MB of memory in use. ENERGY: 979400 3953.0724 20514.1297 14580.0855 253.5768 -203452.7239 2667.1319 0.0000 0.0000 52002.9200 -109481.8076 298.8615 -161484.7276 -109125.9236 299.2539 -90.2572 -61.3652 760577.3550 3.4997 3.5122 PRESSURE: 979600 114.716 -82.1584 -76.9889 -82.1591 98.456 -98.0242 -76.9883 -98.0232 -91.0871 GPRESSURE: 979600 177.33 -58.0296 -39.9907 -5.56824 141.055 -141.686 -3.79819 -56.0281 -118.526 PRESSAVG: 979600 -7.76051 -54.6511 9.39847 -54.6511 -24.4573 16.9852 9.39845 16.9852 17.1689 GPRESSAVG: 979600 -6.7913 -55.0755 10.214 -53.7783 -23.957 16.7221 9.55485 17.1768 16.5863 TIMING: 979600 CPU: 3083.95, 0.00315114/step Wall: 3083.95, 0.00315114/step, 3.51912 hours remaining, 236.523438 MB of memory in use. ENERGY: 979600 4026.2411 20309.8347 14574.6532 260.4458 -202911.6084 2274.4206 0.0000 0.0000 52190.7543 -109275.2587 299.9410 -161466.0130 -108905.2541 299.6573 40.6951 66.6197 761202.2265 -5.0163 -4.7207 PRESSURE: 979800 114.78 -124.918 374.369 -124.918 -200.522 -159.228 374.369 -159.229 -424.884 GPRESSURE: 979800 118.536 -118.644 318.486 -70.6663 -118.67 -150.39 379.861 -162.404 -442.494 PRESSAVG: 979800 -22.9794 -49.2466 27.8681 -49.2466 17.2551 33.7145 27.8681 33.7145 2.43243 GPRESSAVG: 979800 -23.6804 -51.1994 27.221 -47.7268 16.2213 33.1689 28.4862 33.0547 3.83977 TIMING: 979800 CPU: 3084.58, 0.00316204/step Wall: 3084.58, 0.00316204/step, 3.53112 hours remaining, 236.523438 MB of memory in use. ENERGY: 979800 4048.0061 20493.0175 14464.7527 233.8874 -203132.6536 2414.2015 0.0000 0.0000 52147.3923 -109331.3963 299.6918 -161478.7886 -108970.8240 299.4959 -170.2085 -147.5425 761241.8612 -1.0973 -1.2064 PRESSURE: 980000 1.51281 59.7648 21.0305 59.7651 -254.665 -80.2554 21.0306 -80.2564 81.9665 GPRESSURE: 980000 16.6316 -13.6568 9.2989 51.7694 -139.491 -32.075 -68.1732 -126.32 39.949 PRESSAVG: 980000 16.9538 -39.3512 5.95103 -39.3513 -26.2934 -5.21621 5.95105 -5.21622 -2.90811 GPRESSAVG: 980000 16.4555 -39.5268 5.30059 -40.1238 -26.0768 -4.84332 5.45148 -4.41257 -2.2124 TIMING: 980000 CPU: 3085.21, 0.00315608/step Wall: 3085.21, 0.00315608/step, 3.52429 hours remaining, 236.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 980000 3968.9741 20412.6846 14530.3853 259.7411 -203308.2933 2548.7813 0.0000 0.0000 52000.2971 -109587.4298 298.8464 -161587.7269 -109233.6022 299.2924 -57.0619 -27.6369 762059.8031 -4.0826 -3.9446 PRESSURE: 980200 -129.496 -163.52 255.079 -163.52 -191.19 9.97507 255.08 9.97573 -326.373 GPRESSURE: 980200 -33.7542 -77.0615 381.998 -139.823 -183.798 13.7033 253.815 90.5627 -360.578 PRESSAVG: 980200 -7.21808 -63.9658 18.2769 -63.9658 34.4295 -25.8574 18.277 -25.8574 -0.0869515 GPRESSAVG: 980200 -6.22964 -63.1497 19.8206 -65.8762 33.4018 -25.375 17.0893 -25.6664 -0.538976 TIMING: 980200 CPU: 3085.84, 0.00316113/step Wall: 3085.84, 0.00316113/step, 3.52975 hours remaining, 236.523438 MB of memory in use. ENERGY: 980200 4009.8379 20456.0047 14539.7648 243.7223 -203434.3888 2499.7033 0.0000 0.0000 52162.8180 -109522.5377 299.7804 -161685.3558 -109162.0404 298.9134 -215.6863 -192.7101 761567.1857 9.0415 8.8777 LDB: ============= START OF LOAD BALANCING ============== 3098.24 LDB: ============== END OF LOAD BALANCING =============== 3098.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3098.24 LDB: ============= START OF LOAD BALANCING ============== 3098.56 LDB: Largest compute 7077 load 0.033869 is 17.3% of average load 0.195942 LDB: Average compute 0.004398 is 2.2% of average load 0.195942 LDB: TIME 3098.56 LOAD: AVG 0.195942 MAX 0.214111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.293 MB LDB: TIME 3098.56 LOAD: AVG 0.195942 MAX 0.214111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.293 MB LDB: TIME 3098.56 LOAD: AVG 0.195942 MAX 0.214111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.293 MB LDB: ============== END OF LOAD BALANCING =============== 3098.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3098.57 PRESSURE: 980400 -100.622 -182.726 -29.1182 -182.725 -234.709 -125.622 -29.1177 -125.622 -201.848 GPRESSURE: 980400 -62.5383 -51.2292 14.6666 -184.243 -174.436 -74.8989 -139.232 -64.3646 -229.892 PRESSAVG: 980400 27.7963 12.0534 -7.39865 12.0534 -58.9128 -24.7092 -7.39861 -24.7091 15.5756 GPRESSAVG: 980400 26.1574 12.7646 -7.65081 11.7395 -58.7352 -25.6719 -5.2357 -24.9718 16.2301 TIMING: 980400 CPU: 3086.49, 0.00322047/step Wall: 3086.49, 0.00322047/step, 3.59584 hours remaining, 237.027344 MB of memory in use. ENERGY: 980400 3948.4506 20524.6945 14499.6992 261.6293 -203574.2330 2544.0580 0.0000 0.0000 52276.9677 -109518.7338 300.4365 -161795.7015 -109154.9312 299.1472 -179.0594 -155.6221 762251.2278 -5.1803 -5.4492 PRESSURE: 980600 -0.684269 125.578 198.866 125.579 -13.6681 84.662 198.866 84.663 386.876 GPRESSURE: 980600 101.66 121.162 212.735 234.007 -65.4214 39.0363 101.221 74.7098 435.239 PRESSAVG: 980600 15.5479 10.3916 -5.77275 10.3915 -29.0888 23.4067 -5.77267 23.4067 20.1681 GPRESSAVG: 980600 16.9443 8.93103 -5.46661 11.2194 -29.2707 24.3529 -6.16538 22.8361 19.2313 TIMING: 980600 CPU: 3087.12, 0.0031563/step Wall: 3087.12, 0.0031563/step, 3.52401 hours remaining, 237.097656 MB of memory in use. ENERGY: 980600 3903.7797 20531.2330 14471.8558 245.2971 -203273.7706 2569.0768 0.0000 0.0000 52186.1488 -109366.3794 299.9145 -161552.5282 -108998.8148 298.9983 124.1747 157.1593 762578.4810 2.2090 2.3016 PRESSURE: 980800 183.107 84.4225 156.847 84.4226 -347.14 -136.355 156.846 -136.355 -195.476 GPRESSURE: 980800 41.0947 90.4278 132.44 26.9195 -230.936 -107.107 -0.0183499 -104.004 -106.124 PRESSAVG: 980800 -33.5979 23.4965 10.5673 23.4964 -26.0768 -19.0343 10.5672 -19.0343 37.4699 GPRESSAVG: 980800 -33.8448 25.5596 9.95198 23.512 -26.227 -18.7604 10.5731 -16.574 37.6449 TIMING: 980800 CPU: 3087.75, 0.00315259/step Wall: 3087.75, 0.00315259/step, 3.51969 hours remaining, 237.097656 MB of memory in use. ENERGY: 980800 4019.5446 20426.4689 14518.4286 245.1011 -203618.5534 2769.6879 0.0000 0.0000 52135.6209 -109503.7014 299.6241 -161639.3223 -109154.8608 299.1711 -119.8364 -98.6551 761569.7725 -7.4016 -7.4756 PRESSURE: 981000 -158.831 -51.6613 -195.884 -51.6617 198.419 24.7564 -195.885 24.755 27.352 GPRESSURE: 981000 -129.126 -4.00656 -139.75 -78.5579 180.664 53.9638 -10.289 133.83 114.536 PRESSAVG: 981000 13.3314 -12.1169 -27.178 -12.1168 -23.3797 26.9363 -27.1781 26.9363 -10.4391 GPRESSAVG: 981000 12.1857 -12.9949 -27.5426 -11.9319 -22.3264 26.9797 -28.6735 27.0928 -10.636 TIMING: 981000 CPU: 3088.38, 0.00315306/step Wall: 3088.38, 0.00315306/step, 3.52004 hours remaining, 237.097656 MB of memory in use. ENERGY: 981000 3996.0911 20466.5503 14448.3845 235.3948 -203195.4435 2531.9773 0.0000 0.0000 51990.0997 -109526.9458 298.7878 -161517.0455 -109153.7213 298.7314 22.3134 55.3579 760708.1395 -6.8291 -6.9256 PRESSURE: 981200 -236.481 22.1431 -259.583 22.1441 55.9881 113.663 -259.583 113.662 -39.4216 GPRESSURE: 981200 -122.695 18.4625 -379.91 123.353 42.755 26.7737 -97.3235 81.1778 -53.21 PRESSAVG: 981200 36.1767 9.29355 -13.5153 9.29363 -36.1394 -18.3462 -13.5153 -18.3462 12.3815 GPRESSAVG: 981200 36.9577 9.88264 -13.7953 9.26394 -37.1439 -18.2423 -11.6995 -20.036 12.5935 TIMING: 981200 CPU: 3089.01, 0.00313761/step Wall: 3089.01, 0.00313761/step, 3.50262 hours remaining, 237.097656 MB of memory in use. ENERGY: 981200 3939.8861 20335.5054 14466.4958 253.3466 -203299.2261 2540.6966 0.0000 0.0000 52020.9636 -109742.3319 298.9652 -161763.2955 -109373.6928 299.2533 -73.3047 -44.3835 760599.8273 4.1396 4.1358 PRESSURE: 981400 -17.2732 17.1485 149.664 17.149 144.688 4.15665 149.664 4.15783 -87.3748 GPRESSURE: 981400 -72.1786 -30.6841 126.663 98.9946 197.587 -99.3516 154.855 96.6203 2.31667 PRESSAVG: 981400 17.2521 -24.3502 -21.868 -24.3502 7.7036 -45.0303 -21.868 -45.0302 -1.02148 GPRESSAVG: 981400 16.7351 -23.7188 -21.2608 -24.4694 7.19147 -46.9703 -23.1613 -45.3344 0.336736 TIMING: 981400 CPU: 3089.64, 0.00315567/step Wall: 3089.64, 0.00315567/step, 3.5226 hours remaining, 237.097656 MB of memory in use. ENERGY: 981400 4000.0564 20330.2336 14456.9705 231.6794 -203169.0700 2576.6645 0.0000 0.0000 52098.7065 -109474.7591 299.4120 -161573.4656 -109107.0095 298.8353 13.3468 42.5752 762146.0764 7.9781 8.0878 PRESSURE: 981600 173.779 35.7294 77.3084 35.7302 -140.235 202.214 77.3084 202.214 243.284 GPRESSURE: 981600 214.849 -123.517 166.902 -3.73736 -62.9779 191.978 -2.0494 118.431 188.343 PRESSAVG: 981600 1.51175 -8.11843 -14.8683 -8.11841 11.0184 -10.113 -14.8683 -10.1129 23.5773 GPRESSAVG: 981600 2.04247 -9.65358 -13.3602 -10.3333 12.7237 -10.2067 -14.1479 -10.3643 21.0173 TIMING: 981600 CPU: 3090.27, 0.00315594/step Wall: 3090.27, 0.00315594/step, 3.52273 hours remaining, 237.097656 MB of memory in use. ENERGY: 981600 3974.0903 20411.2485 14476.1667 252.1880 -202990.8134 2501.8293 0.0000 0.0000 51903.5208 -109471.7698 298.2902 -161375.2906 -109112.5512 299.1112 92.2761 113.4048 761750.1197 12.0358 11.9278 PRESSURE: 981800 41.2841 22.0109 212.067 22.0105 97.6442 -154.308 212.067 -154.308 -35.075 GPRESSURE: 981800 54.1456 97.3058 208.719 -11.5712 110.011 -217.73 180.041 -118.17 49.3788 PRESSAVG: 981800 15.1699 -29.7202 13.6155 -29.7202 -11.5809 -56.5981 13.6155 -56.5981 0.893368 GPRESSAVG: 981800 14.8819 -29.6688 11.6737 -26.6002 -12.7492 -55.181 13.0385 -58.1474 2.29487 TIMING: 981800 CPU: 3090.9, 0.00314197/step Wall: 3090.9, 0.00314197/step, 3.50696 hours remaining, 237.097656 MB of memory in use. ENERGY: 981800 4004.5118 20369.5097 14537.6480 260.5399 -203528.0863 2786.7079 0.0000 0.0000 52132.3187 -109436.8502 299.6052 -161569.1689 -109075.4984 299.0667 34.6178 71.1785 759861.2264 1.4941 1.4759 PRESSURE: 982000 -282.381 -96.2333 152.56 -96.2326 -51.3546 -148.94 152.56 -148.939 -176.203 GPRESSURE: 982000 -217.705 -96.781 133.81 14.6831 -26.7191 -142.753 167.791 3.5816 -173.622 PRESSAVG: 982000 13.4414 -12.6901 54.3968 -12.6901 -9.43871 45.2721 54.3969 45.2722 15.2474 GPRESSAVG: 982000 14.1234 -11.5058 55.1845 -13.4328 -8.42022 44.1465 54.5351 47.2274 14.1208 TIMING: 982000 CPU: 3091.53, 0.00316979/step Wall: 3091.53, 0.00316979/step, 3.53783 hours remaining, 237.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 982000 3978.1245 20506.9327 14436.3104 245.4987 -203127.9783 2353.0558 0.0000 0.0000 52018.5471 -109589.5091 298.9513 -161608.0562 -109219.7231 299.1113 -169.9795 -139.3488 759725.1561 6.4167 6.6080 PRESSURE: 982200 -171.295 21.9151 -61.9116 21.9153 174.591 -193.129 -61.9121 -193.129 -25.07 GPRESSURE: 982200 -87.7555 17.3803 -78.9419 -47.2868 162.428 -63.2358 -51.7023 -185.91 -18.5035 PRESSAVG: 982200 13.0311 -34.161 -16.549 -34.1611 -17.6227 13.9333 -16.5489 13.9335 -7.8361 GPRESSAVG: 982200 13.6394 -33.9029 -17.0081 -34.3069 -18.1969 14.9135 -14.1254 13.438 -7.54526 TIMING: 982200 CPU: 3092.17, 0.00317818/step Wall: 3092.17, 0.00317818/step, 3.54703 hours remaining, 237.097656 MB of memory in use. ENERGY: 982200 3988.5649 20250.7933 14511.3383 238.5062 -203575.5193 2668.9795 0.0000 0.0000 52227.7404 -109689.5966 300.1535 -161917.3370 -109311.7776 299.1281 -7.2577 18.7231 760267.3381 -4.1426 -4.0342 PRESSURE: 982400 -49.7397 6.71747 -85.2604 6.71754 -188.138 255.415 -85.2604 255.415 -134.243 GPRESSURE: 982400 97.5614 -135.264 -10.9936 -30.7396 -237.402 318.556 -61.5418 250.597 -140.944 PRESSAVG: 982400 4.96897 -20.497 -12.457 -20.497 18.6159 15.6546 -12.457 15.6547 7.48832 GPRESSAVG: 982400 4.05536 -22.0873 -11.4665 -20.5856 17.8653 16.6345 -14.3506 15.458 8.75509 TIMING: 982400 CPU: 3092.8, 0.00315249/step Wall: 3092.8, 0.00315249/step, 3.51818 hours remaining, 237.097656 MB of memory in use. ENERGY: 982400 4010.4412 20504.3521 14445.4881 253.9999 -203307.8922 2600.8847 0.0000 0.0000 51887.2122 -109605.5139 298.1965 -161492.7262 -109257.4371 298.6846 -124.0402 -93.5946 760867.3931 10.3577 10.2253 PRESSURE: 982600 -20.0096 -8.8275 127.968 -8.82799 -105.213 -11.4829 127.967 -11.4825 49.0612 GPRESSURE: 982600 -48.6859 -26.0855 131.652 26.3596 -27.6095 -52.7776 179.394 66.1322 96.6426 PRESSAVG: 982600 -28.3195 -28.2086 -47.0766 -28.2086 39.8536 23.515 -47.0766 23.5149 -8.23229 GPRESSAVG: 982600 -28.7943 -27.7462 -46.3037 -28.0417 40.9546 22.0289 -46.1525 21.5469 -8.7272 TIMING: 982600 CPU: 3093.43, 0.00314498/step Wall: 3093.43, 0.00314498/step, 3.50962 hours remaining, 237.097656 MB of memory in use. ENERGY: 982600 4017.0574 20409.2154 14490.2803 249.9904 -203197.0349 2404.8327 0.0000 0.0000 51839.4190 -109786.2398 297.9219 -161625.6587 -109433.9236 298.4789 -25.3871 6.7824 760303.5356 1.1006 1.1443 PRESSURE: 982800 78.6741 -177.605 -87.1843 -177.606 290.784 -286.308 -87.1843 -286.31 -28.2324 GPRESSURE: 982800 151.806 -265.647 -58.5975 -194.389 320.976 -326.442 -146.229 -225.163 -43.2216 PRESSAVG: 982800 19.1661 -25.8648 7.24467 -25.8648 -4.96114 -24.5844 7.24467 -24.5844 26.4458 GPRESSAVG: 982800 19.669 -25.5093 6.28905 -26.2145 -5.76679 -24.8679 6.52182 -21.3188 26.8022 TIMING: 982800 CPU: 3094.06, 0.00314223/step Wall: 3094.06, 0.00314223/step, 3.50637 hours remaining, 237.097656 MB of memory in use. ENERGY: 982800 3903.5339 20476.2258 14456.8433 246.4885 -203689.5979 2635.8237 0.0000 0.0000 52048.1731 -109922.5096 299.1216 -161970.6827 -109566.4156 298.6303 113.7418 143.1869 759445.4801 13.5503 13.5681 PRESSURE: 983000 -205.444 192.81 -111.793 192.81 -59.9915 102.673 -111.793 102.673 197.613 GPRESSURE: 983000 -161.794 179.216 -158.74 195.458 -52.4153 108.113 -122.188 80.1836 214.106 PRESSAVG: 983000 14.4039 -68.0658 1.56779 -68.0658 -4.21348 -12.8246 1.56774 -12.8246 -9.48718 GPRESSAVG: 983000 14.6795 -67.7243 2.61571 -67.5839 -3.48255 -10.8901 1.0351 -14.3871 -10.723 TIMING: 983000 CPU: 3094.68, 0.00313571/step Wall: 3094.68, 0.00313571/step, 3.49893 hours remaining, 237.097656 MB of memory in use. ENERGY: 983000 3974.7085 20445.0077 14461.3451 257.9482 -203596.4323 2488.9884 0.0000 0.0000 52126.7305 -109841.7038 299.5730 -161968.4344 -109480.0967 298.5580 -22.6076 -0.0344 760542.1582 0.2344 0.1580 PRESSURE: 983200 -228.828 212.481 -54.5403 212.482 -168.122 187.032 -54.5401 187.032 -115.485 GPRESSURE: 983200 -167.662 163.074 -212.385 209.503 -167.374 209.306 -11.4054 316.535 -103.843 PRESSAVG: 983200 16.0012 -59.5873 -8.28206 -59.5873 4.53529 -6.19293 -8.28199 -6.19296 -5.28773 GPRESSAVG: 983200 16.2399 -60.5242 -8.39664 -60.08 3.2945 -9.00975 -8.71426 -5.22661 -3.67951 TIMING: 983200 CPU: 3095.31, 0.00315642/step Wall: 3095.31, 0.00315642/step, 3.52186 hours remaining, 237.097656 MB of memory in use. ENERGY: 983200 4025.6536 20521.8174 14410.6160 237.1686 -203845.8326 2659.2991 0.0000 0.0000 52015.5188 -109975.7590 298.9339 -161991.2778 -109625.0918 298.9242 -170.8115 -146.2931 760006.6764 5.0829 5.2850 PRESSURE: 983400 490.952 23.4761 61.8945 23.4758 -46.3742 206.18 61.8953 206.18 -39.8288 GPRESSURE: 983400 463.319 61.385 102.906 45.3182 100.416 190.062 144.647 88.9102 -74.3546 PRESSAVG: 983400 -19.6941 -21.5801 -56.349 -21.5801 2.40605 11.6337 -56.349 11.6337 -20.3793 GPRESSAVG: 983400 -19.0818 -21.1712 -58.4953 -23.3223 3.68124 12.8262 -56.1005 12.4232 -22.4463 TIMING: 983400 CPU: 3095.95, 0.00315326/step Wall: 3095.95, 0.00315327/step, 3.51817 hours remaining, 237.097656 MB of memory in use. ENERGY: 983400 3997.8827 20430.3616 14456.5153 232.2602 -203278.6258 2563.0655 0.0000 0.0000 51711.9853 -109886.5552 297.1895 -161598.5405 -109529.0379 298.3064 134.9162 163.1266 761211.4856 -12.5558 -12.6156 PRESSURE: 983600 41.3912 112.842 172.709 112.841 -87.8644 -150.467 172.708 -150.468 89.035 GPRESSURE: 983600 24.6958 26.3707 118.314 98.3837 -53.2519 -97.8636 367.611 -134.581 170.281 PRESSAVG: 983600 12.8359 -17.9813 38.2718 -17.9813 -3.34946 3.46803 38.2717 3.4681 -6.499 GPRESSAVG: 983600 12.0623 -18.6914 39.0417 -16.1362 -2.47727 4.08008 39.1663 1.89333 -6.26337 TIMING: 983600 CPU: 3096.58, 0.00316172/step Wall: 3096.58, 0.00316172/step, 3.52743 hours remaining, 237.097656 MB of memory in use. ENERGY: 983600 3896.8269 20457.8352 14434.1848 241.4317 -203562.4702 2660.7205 0.0000 0.0000 51699.5608 -110171.9103 297.1181 -161871.4711 -109815.7435 298.1788 14.1873 47.2418 759717.9401 0.9958 1.1072 PRESSURE: 983800 -5.78229 -14.3877 71.081 -14.3879 177.635 -59.5285 71.081 -59.5287 401.182 GPRESSURE: 983800 101.727 26.0111 75.8891 9.82985 164.289 -81.5228 -3.71252 -37.2343 388.288 PRESSAVG: 983800 -34.3738 -86.8444 -2.70857 -86.8444 49.4197 5.12763 -2.70855 5.12763 3.92202 GPRESSAVG: 983800 -34.1057 -87.843 -2.68889 -84.9031 48.883 4.55656 -2.19647 5.53227 4.384 TIMING: 983800 CPU: 3097.21, 0.00315746/step Wall: 3097.21, 0.00315746/step, 3.52249 hours remaining, 237.097656 MB of memory in use. ENERGY: 983800 3996.4817 20402.7925 14353.8283 251.5556 -203464.1673 2783.8625 0.0000 0.0000 51696.1664 -109979.4804 297.0986 -161675.6468 -109628.1823 297.6916 191.0115 218.1014 759802.7697 6.3227 6.3871 PRESSURE: 984000 -49.3949 -76.8599 21.5678 -76.8606 200.891 -171.283 21.5684 -171.283 -95.8497 GPRESSURE: 984000 -58.7265 -82.505 113.586 -98.3234 274.963 -80.225 -76.4516 -164.002 -77.0903 PRESSAVG: 984000 36.3874 -11.6558 53.5727 -11.6559 -42.7391 34.8353 53.5727 34.8353 13.5144 GPRESSAVG: 984000 36.6346 -10.3733 53.7978 -13.2116 -43.6097 35.4546 52.0869 35.692 13.9376 TIMING: 984000 CPU: 3097.84, 0.00314771/step Wall: 3097.84, 0.00314771/step, 3.51145 hours remaining, 237.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 984000 3942.7402 20358.9637 14477.5948 232.9204 -203297.3016 2515.5621 0.0000 0.0000 51878.8176 -109890.7027 298.1483 -161769.5203 -109535.2755 298.4272 18.5489 46.3820 759466.8451 2.3876 2.3208 PRESSURE: 984200 -82.2971 14.709 36.4772 14.7085 -240.098 35.0236 36.4767 35.0235 -568.705 GPRESSURE: 984200 -104.871 -26.3469 96.5653 98.1497 -144.442 66.3796 17.3133 39.6861 -556.694 PRESSAVG: 984200 4.1437 30.1037 11.2276 30.1037 14.0047 19.3962 11.2276 19.3963 -27.5997 GPRESSAVG: 984200 3.64682 33.0472 12.0024 29.4948 14.2084 19.0146 12.1108 17.499 -27.4915 TIMING: 984200 CPU: 3098.47, 0.00316279/step Wall: 3098.47, 0.00316279/step, 3.52809 hours remaining, 237.097656 MB of memory in use. ENERGY: 984200 3939.8070 20411.5105 14462.5954 262.2606 -203323.7340 2368.4228 0.0000 0.0000 52076.3975 -109802.7402 299.2838 -161879.1377 -109446.7691 298.6971 -297.0334 -268.6693 761648.1437 -3.1504 -3.2121 LDB: ============= START OF LOAD BALANCING ============== 3110.87 LDB: ============== END OF LOAD BALANCING =============== 3110.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3110.87 LDB: ============= START OF LOAD BALANCING ============== 3111.19 LDB: Largest compute 7077 load 0.032910 is 16.8% of average load 0.195842 LDB: Average compute 0.004374 is 2.2% of average load 0.195842 LDB: TIME 3111.19 LOAD: AVG 0.195842 MAX 0.214859 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.828 MB LDB: TIME 3111.19 LOAD: AVG 0.195842 MAX 0.214859 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.031 MB LDB: TIME 3111.19 LOAD: AVG 0.195842 MAX 0.214859 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.031 MB LDB: ============== END OF LOAD BALANCING =============== 3111.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3111.2 PRESSURE: 984400 172.425 93.495 213.079 93.496 -99.5367 -58.261 213.078 -58.2615 -112.575 GPRESSURE: 984400 249.865 163.043 162.782 31.8537 -108.896 -99.4483 251.413 -42.7843 -114.158 PRESSAVG: 984400 2.49039 -42.411 66.6245 -42.411 -12.5784 -27.2361 66.6245 -27.2362 1.88354 GPRESSAVG: 984400 3.40149 -47.1143 65.1006 -41.3874 -12.0006 -29.2579 65.9343 -25.8602 0.877141 TIMING: 984400 CPU: 3099.12, 0.00321819/step Wall: 3099.12, 0.00321819/step, 3.58971 hours remaining, 237.101562 MB of memory in use. ENERGY: 984400 3976.3519 20506.9726 14458.8042 245.4829 -203572.8635 2533.5168 0.0000 0.0000 52221.1293 -109630.6057 300.1155 -161851.7350 -109263.0849 298.5372 -13.2288 8.9373 760851.7358 -2.7348 -2.5740 PRESSURE: 984600 -273.225 -45.4625 -93.4238 -45.4624 -342.58 190.334 -93.4232 190.334 -237.274 GPRESSURE: 984600 -206.253 -22.1399 -89.6882 -6.89115 -348.419 169.704 22.0053 183.993 -206.875 PRESSAVG: 984600 -4.87003 -49.3555 11.0314 -49.3555 -22.4466 -39.6514 11.0314 -39.6514 -13.8239 GPRESSAVG: 984600 -5.03395 -46.9454 12.2964 -48.5356 -22.975 -38.825 13.2175 -40.4562 -13.1389 TIMING: 984600 CPU: 3099.74, 0.00314662/step Wall: 3099.74, 0.00314662/step, 3.5097 hours remaining, 237.101562 MB of memory in use. ENERGY: 984600 3954.6095 20539.0298 14414.0890 254.2744 -203242.2450 2381.7531 0.0000 0.0000 52020.9582 -109677.5310 298.9652 -161698.4892 -109318.4943 298.8379 -284.3595 -253.8492 762491.1661 -13.7135 -13.7159 PRESSURE: 984800 59.9033 -16.3568 -207.753 -16.3577 -25.8666 -53.4984 -207.752 -53.4983 134.64 GPRESSURE: 984800 58.0149 -26.484 -179.348 -167.052 17.1341 -22.1031 -209.657 -179.528 181.367 PRESSAVG: 984800 -47.7091 -74.1233 0.197056 -74.1232 11.3977 -68.7974 0.197114 -68.7974 14.6452 GPRESSAVG: 984800 -46.6469 -75.3185 0.199987 -75.2267 11.7484 -66.978 -1.44162 -70.3834 14.1591 TIMING: 984800 CPU: 3100.38, 0.00316857/step Wall: 3100.38, 0.00316857/step, 3.53402 hours remaining, 237.101562 MB of memory in use. ENERGY: 984800 3909.0438 20460.3047 14404.4723 260.9326 -203624.9409 2873.5688 0.0000 0.0000 51829.8382 -109886.7806 297.8668 -161716.6188 -109522.2997 299.0441 56.2256 85.5054 760711.9941 -7.2221 -6.9131 PRESSURE: 985000 -542.75 172.047 -104.036 172.046 -256.877 -259.381 -104.035 -259.38 -202.368 GPRESSURE: 985000 -497.314 123.195 -58.7025 68.1823 -253.304 -175.984 -119.834 -138.913 -159.263 PRESSAVG: 985000 8.81806 -46.7825 15.5758 -46.7824 -39.3112 13.9115 15.5757 13.9115 -14.3578 GPRESSAVG: 985000 8.00815 -45.6518 13.9141 -48.1526 -38.9081 11.2608 16.8099 17.489 -13.9588 TIMING: 985000 CPU: 3101.01, 0.00317451/step Wall: 3101.01, 0.00317451/step, 3.54046 hours remaining, 237.101562 MB of memory in use. ENERGY: 985000 3987.1663 20497.8191 14429.4122 248.9634 -203219.1639 2298.4336 0.0000 0.0000 51666.8041 -110090.5652 296.9298 -161757.3694 -109745.1960 298.1307 -333.9982 -303.2935 761660.0749 -14.9503 -14.9529 PRESSURE: 985200 -30.5701 -154.153 173.538 -154.152 -35.1534 65.4388 173.537 65.4388 72.829 GPRESSURE: 985200 90.766 -129.999 134.449 -49.9335 -3.83913 120.166 122.207 107.71 19.9174 PRESSAVG: 985200 17.5035 -11.2973 57.8401 -11.2972 -49.6785 5.26509 57.8401 5.26506 5.51223 GPRESSAVG: 985200 18.5062 -11.2597 58.7263 -9.52547 -49.6391 6.08269 56.2141 6.29304 5.12998 TIMING: 985200 CPU: 3101.65, 0.00316325/step Wall: 3101.65, 0.00316325/step, 3.52772 hours remaining, 237.101562 MB of memory in use. ENERGY: 985200 3916.0450 20330.2592 14477.9852 245.7880 -203403.8374 2549.2553 0.0000 0.0000 51706.3345 -110178.1702 297.1570 -161884.5047 -109821.0604 297.7619 2.3685 35.6147 760477.3480 -8.8876 -8.6676 PRESSURE: 985400 -37.147 138.49 -39.1144 138.491 163.835 225.241 -39.1136 225.241 169.627 GPRESSURE: 985400 8.01909 157.762 -6.46992 77.2376 228.67 200.864 -20.1054 169.152 165.314 PRESSAVG: 985400 19.582 -9.58893 49.5352 -9.58883 -38.1999 4.36803 49.5352 4.36796 23.1824 GPRESSAVG: 985400 17.5262 -9.52394 47.7935 -10.316 -38.2426 4.80198 50.0935 0.805651 24.1051 TIMING: 985400 CPU: 3102.28, 0.00315366/step Wall: 3102.28, 0.00315366/step, 3.51685 hours remaining, 237.101562 MB of memory in use. ENERGY: 985400 4010.9780 20433.9335 14502.1445 248.8417 -203830.8805 2787.5075 0.0000 0.0000 51815.9683 -110031.5070 297.7871 -161847.4753 -109679.1592 297.6778 98.7715 134.0012 759973.9191 1.5215 1.1296 PRESSURE: 985600 407.733 -200.778 -59.891 -200.778 249.243 77.0907 -59.8907 77.0917 -44.5807 GPRESSURE: 985600 310.094 -251.955 -32.9555 -85.975 334.084 141.28 -86.9226 91.3616 45.9452 PRESSAVG: 985600 -45.6867 15.046 78.7125 15.046 9.31702 27.0648 78.7125 27.0648 17.9111 GPRESSAVG: 985600 -44.2468 13.544 79.9476 14.9575 8.46483 26.7205 78.2826 28.5378 17.2989 TIMING: 985600 CPU: 3102.91, 0.00314389/step Wall: 3102.91, 0.00314389/step, 3.50579 hours remaining, 237.101562 MB of memory in use. ENERGY: 985600 3944.4239 20602.8623 14461.2680 250.9862 -203448.2824 2725.3221 0.0000 0.0000 52001.1401 -109462.2799 298.8513 -161463.4200 -109114.7089 298.8448 204.1317 230.0409 761855.7886 -6.1529 -6.1610 PRESSURE: 985800 -321.629 -50.653 173.83 -50.653 -62.0862 9.32066 173.829 9.3202 -72.4738 GPRESSURE: 985800 -240.34 -94.1673 219.32 5.40624 -75.7957 -42.6638 292.191 72.0895 -69.3369 PRESSAVG: 985800 -17.4035 -81.5078 11.2199 -81.5079 -5.81618 32.663 11.22 32.663 -20.3936 GPRESSAVG: 985800 -16.2472 -80.74 10.1996 -82.0468 -6.14799 33.77 12.4391 33.4327 -21.1507 TIMING: 985800 CPU: 3103.54, 0.00317978/step Wall: 3103.54, 0.00317978/step, 3.54563 hours remaining, 237.101562 MB of memory in use. ENERGY: 985800 3997.4712 20769.0841 14523.4605 262.0471 -203593.8753 2623.0662 0.0000 0.0000 51808.1867 -109610.5595 297.7424 -161418.7462 -109247.7868 299.3911 -152.0628 -128.4910 760878.3116 -14.5378 -14.5153 PRESSURE: 986000 -443.292 -258.446 -117.696 -258.447 249.536 63.5863 -117.696 63.5867 -34.2794 GPRESSURE: 986000 -457.06 -261.511 -79.2325 -293.107 312.279 134.337 -134.548 68.0824 2.09123 PRESSAVG: 986000 -34.8292 -59.4823 13.0367 -59.4823 28.0935 -34.6482 13.0366 -34.6482 6.84294 GPRESSAVG: 986000 -35.8115 -58.7279 15.0237 -60.8398 28.552 -34.1324 12.6823 -36.046 8.25709 TIMING: 986000 CPU: 3104.18, 0.0031712/step Wall: 3104.18, 0.0031712/step, 3.53589 hours remaining, 237.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 986000 3991.1023 20507.3309 14472.3121 254.1988 -203519.7777 2770.8847 0.0000 0.0000 51875.7014 -109648.2475 298.1304 -161523.9489 -109288.4172 299.2106 -76.0118 -47.5634 762658.1618 0.0357 0.3325 PRESSURE: 986200 -78.983 46.4454 79.5109 46.4458 -30.5884 -57.2945 79.5107 -57.2947 275.37 GPRESSURE: 986200 -15.5814 4.65294 -16.8142 33.5301 -13.4254 -59.5632 176.095 -239.184 273.734 PRESSAVG: 986200 -31.176 -9.29739 51.2293 -9.29749 63.051 -34.1276 51.2293 -34.1276 -3.25836 GPRESSAVG: 986200 -31.1714 -9.22121 49.8758 -10.1097 62.5477 -36.9212 51.2177 -31.9789 -3.07841 TIMING: 986200 CPU: 3104.81, 0.00317034/step Wall: 3104.81, 0.00317034/step, 3.53476 hours remaining, 237.101562 MB of memory in use. ENERGY: 986200 3987.2522 20578.5951 14463.7499 241.0676 -203490.5526 2810.0068 0.0000 0.0000 51885.9868 -109523.8942 298.1895 -161409.8810 -109155.4137 298.8366 55.2663 81.5756 761417.8836 9.5389 9.4326 PRESSURE: 986400 -173.538 -131.403 110.457 -131.402 -80.1648 -26.2233 110.457 -26.2223 6.96664 GPRESSURE: 986400 -122.006 -180.955 42.0877 -60.4731 -32.1283 -2.6909 230.806 -81.5571 -34.8486 PRESSAVG: 986400 38.3487 -34.0408 -3.08053 -34.0408 15.3824 20.351 -3.0805 20.3509 43.7528 GPRESSAVG: 986400 37.1601 -34.4666 -1.55065 -32.5921 16.1892 22.8732 -2.32876 17.3624 43.7956 TIMING: 986400 CPU: 3105.44, 0.00315429/step Wall: 3105.44, 0.00315429/step, 3.51668 hours remaining, 237.101562 MB of memory in use. ENERGY: 986400 3927.1840 20529.5474 14429.6633 256.3145 -203392.3025 2435.5223 0.0000 0.0000 52055.4240 -109758.6469 299.1632 -161814.0710 -109393.6140 298.9173 -82.2454 -62.9941 761311.3354 32.4946 32.3816 PRESSURE: 986600 30.6549 -54.5173 17.5931 -54.5172 -98.1927 -67.9423 17.5929 -67.9417 323.054 GPRESSURE: 986600 -32.4039 -16.0294 -40.6475 -185.91 33.1973 -38.5169 -36.2538 -205.911 341.222 PRESSAVG: 986600 -29.8733 -41.3314 -11.2689 -41.3314 3.865 31.1501 -11.269 31.1502 0.66959 GPRESSAVG: 986600 -29.5153 -41.6276 -11.86 -40.745 3.55245 30.6926 -11.879 31.0359 -0.0432738 TIMING: 986600 CPU: 3106.08, 0.00318087/step Wall: 3106.08, 0.00318087/step, 3.54614 hours remaining, 237.101562 MB of memory in use. ENERGY: 986600 3948.3674 20501.6070 14484.6962 246.5227 -203824.6192 2943.2654 0.0000 0.0000 52077.5995 -109622.5610 299.2907 -161700.1605 -109262.0155 298.8925 85.1721 114.0051 760857.8043 -8.4462 -8.6687 PRESSURE: 986800 20.3988 -23.5585 43.6085 -23.559 -278.384 365.941 43.6086 365.94 -160.029 GPRESSURE: 986800 21.6564 -36.5943 63.2054 36.7475 -275.921 368.923 56.8949 357.853 -78.4678 PRESSAVG: 986800 6.55508 -2.03129 -10.1911 -2.03134 1.23696 66.5797 -10.1911 66.5798 0.144734 GPRESSAVG: 986800 5.31145 -0.780976 -11.8964 -1.84246 1.92411 66.2742 -9.96294 66.3434 0.153062 TIMING: 986800 CPU: 3106.71, 0.00318516/step Wall: 3106.71, 0.00318516/step, 3.55074 hours remaining, 237.101562 MB of memory in use. ENERGY: 986800 3941.1641 20700.6290 14553.6762 240.9120 -203412.6164 2672.9888 0.0000 0.0000 52104.2497 -109198.9967 299.4438 -161303.2464 -108832.9680 299.4629 -139.3381 -110.9108 762713.8318 2.6456 2.4629 PRESSURE: 987000 -42.9946 -59.4351 -170.501 -59.4363 -383.279 116.141 -170.501 116.141 -206.484 GPRESSURE: 987000 41.6706 99.6264 -179.751 -110.708 -308.518 26.2578 -196.329 159.066 -281.076 PRESSAVG: 987000 31.7931 -50.0922 -36.1027 -50.0921 -12.6007 54.7849 -36.1027 54.7849 16.5951 GPRESSAVG: 987000 33.0974 -52.4557 -34.563 -49.0192 -14.1547 54.5089 -35.5864 56.7669 17.4259 TIMING: 987000 CPU: 3107.35, 0.0031657/step Wall: 3107.35, 0.0031657/step, 3.52887 hours remaining, 237.101562 MB of memory in use. ENERGY: 987000 4004.9896 20676.9550 14541.3643 238.9997 -203385.1572 2516.7255 0.0000 0.0000 52389.2625 -109016.8605 301.0818 -161406.1230 -108651.5988 300.4019 -210.9191 -182.6412 761511.9210 11.9291 12.1229 PRESSURE: 987200 -263.894 -229.017 -405.191 -229.017 -9.83089 182.477 -405.191 182.477 -46.4884 GPRESSURE: 987200 -234.653 -194.431 -387.683 -151.696 1.75792 188.2 -414.195 197.216 -0.354861 PRESSAVG: 987200 28.5656 -34.2999 -41.8683 -34.2999 -29.9335 41.9811 -41.8683 41.9812 -13.1085 GPRESSAVG: 987200 27.3257 -30.9389 -43.1061 -34.9543 -28.2401 42.0476 -42.5225 40.5291 -13.79 TIMING: 987200 CPU: 3107.98, 0.00314795/step Wall: 3107.98, 0.00314795/step, 3.50892 hours remaining, 237.101562 MB of memory in use. ENERGY: 987200 4118.8691 20594.4832 14485.1481 231.4988 -203521.0435 2633.2276 0.0000 0.0000 52381.0777 -109076.7391 301.0348 -161457.8168 -108714.4902 300.5994 -106.7379 -77.7500 762581.5240 -4.8255 -4.9015 PRESSURE: 987400 94.147 -239.49 -234.692 -239.489 103.038 -21.4664 -234.692 -21.4683 159.215 GPRESSURE: 987400 93.2631 -177.503 -241.068 -210.537 140.472 -22.4311 -145.865 -111.705 225.976 PRESSAVG: 987400 -12.7209 -10.6613 -43.8882 -10.6614 3.64501 4.45781 -43.8882 4.45782 9.8664 GPRESSAVG: 987400 -12.7693 -11.6144 -42.0889 -10.7905 3.32228 5.55554 -43.3784 4.42934 9.86414 TIMING: 987400 CPU: 3108.61, 0.00315367/step Wall: 3108.61, 0.00315366/step, 3.51511 hours remaining, 237.101562 MB of memory in use. ENERGY: 987400 4015.8207 20647.7271 14429.7778 263.8742 -203136.7199 2736.2186 0.0000 0.0000 52090.7978 -108952.5037 299.3665 -161043.3015 -108598.0750 301.0788 118.7998 153.2370 761786.4874 0.2635 0.1390 PRESSURE: 987600 113.851 -76.7038 46.9494 -76.7043 -9.39619 478.022 46.9493 478.021 -190.582 GPRESSURE: 987600 70.8561 -85.0487 -5.34117 24.1887 -15.6808 548.47 137.892 314.014 -66.0871 PRESSAVG: 987600 -16.0548 -32.1401 -5.62593 -32.1401 -24.125 -43.603 -5.62593 -43.603 29.3162 GPRESSAVG: 987600 -15.4013 -32.9279 -7.30089 -30.1953 -23.8862 -45.1907 -6.14944 -44.1788 28.2183 TIMING: 987600 CPU: 3109.24, 0.00315074/step Wall: 3109.24, 0.00315074/step, 3.51167 hours remaining, 237.101562 MB of memory in use. ENERGY: 987600 4014.7626 20827.9771 14471.9972 241.7091 -203027.5552 2251.9049 0.0000 0.0000 52075.4188 -109143.7855 299.2781 -161219.2043 -108785.3060 300.4058 -28.7090 -3.6373 760312.3140 -3.6212 -3.6897 PRESSURE: 987800 110.51 -271.896 -121.091 -271.897 -44.0114 -15.2224 -121.091 -15.2231 -493.505 GPRESSURE: 987800 96.1413 -114.27 -91.8815 -302.689 29.4692 -108.473 -62.8071 -22.2292 -456.23 PRESSAVG: 987800 2.7028 -31.5889 -12.0025 -31.5889 -9.20382 -13.0226 -12.0025 -13.0227 1.02916 GPRESSAVG: 987800 1.25875 -32.1288 -11.5289 -30.212 -8.90689 -11.9148 -12.4586 -13.8496 2.2914 TIMING: 987800 CPU: 3109.87, 0.00315146/step Wall: 3109.87, 0.00315146/step, 3.5123 hours remaining, 237.101562 MB of memory in use. ENERGY: 987800 4012.8685 20556.6482 14443.7779 231.6633 -203191.5613 2569.1648 0.0000 0.0000 52210.9312 -109166.5074 300.0569 -161377.4386 -108788.1802 299.7470 -142.3355 -110.2064 761225.8780 -1.8240 -1.7856 PRESSURE: 988000 224.251 125.466 -197.892 125.467 197.923 -279.896 -197.893 -279.896 309.207 GPRESSURE: 988000 265.067 104.239 -97.1031 271.169 309.85 -274.51 -170.687 -150.359 242.969 PRESSAVG: 988000 -28.1955 -6.43281 -50.6276 -6.43281 1.92554 9.86013 -50.6276 9.86014 0.96516 GPRESSAVG: 988000 -26.1387 -5.20391 -50.0943 -8.48948 2.51039 9.15377 -53.0645 9.95261 -1.24531 TIMING: 988000 CPU: 3110.5, 0.0031523/step Wall: 3110.5, 0.0031523/step, 3.51306 hours remaining, 237.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 988000 4031.9013 20656.5448 14455.3387 247.7728 -203578.1921 2813.4474 0.0000 0.0000 52246.4753 -109126.7119 300.2612 -161373.1871 -108767.0701 300.0400 243.7936 272.6285 761387.8513 -8.4349 -8.2912 PRESSURE: 988200 -21.0099 -47.4341 127.973 -47.4339 86.6554 93.4455 127.973 93.4453 35.3069 GPRESSURE: 988200 30.3456 -11.9831 84.159 -68.0066 87.1839 120.584 42.687 33.5073 65.7283 PRESSAVG: 988200 -18.3567 -38.5022 0.377366 -38.5022 39.6068 12.8017 0.37738 12.8016 -16.2684 GPRESSAVG: 988200 -19.7125 -37.6296 1.41122 -40.0513 38.0564 13.032 2.13177 12.862 -13.3955 TIMING: 988200 CPU: 3111.13, 0.00313816/step Wall: 3111.13, 0.00313816/step, 3.49713 hours remaining, 237.101562 MB of memory in use. ENERGY: 988200 4056.4081 20790.1023 14451.9017 220.4584 -203171.4829 2400.6848 0.0000 0.0000 52149.4039 -109102.5237 299.7033 -161251.9276 -108733.9955 300.4246 33.6508 61.0859 761500.3068 1.6606 1.6495 LDB: ============= START OF LOAD BALANCING ============== 3123.52 LDB: ============== END OF LOAD BALANCING =============== 3123.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3123.52 LDB: ============= START OF LOAD BALANCING ============== 3123.84 LDB: Largest compute 7077 load 0.033051 is 16.9% of average load 0.195855 LDB: Average compute 0.004384 is 2.2% of average load 0.195855 LDB: TIME 3123.84 LOAD: AVG 0.195855 MAX 0.216289 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.016 MB LDB: TIME 3123.84 LOAD: AVG 0.195855 MAX 0.216289 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.016 MB LDB: TIME 3123.84 LOAD: AVG 0.195855 MAX 0.216289 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3123.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3123.85 PRESSURE: 988400 135.661 -123.322 -8.5508 -123.321 -37.5225 -50.4755 -8.5512 -50.4756 12.6125 GPRESSURE: 988400 79.7483 -53.1823 44.6082 -24.7928 92.7215 -50.5082 -54.2766 -52.022 29.5268 PRESSAVG: 988400 -18.872 -38.9378 2.7562 -38.9378 29.1839 8.7324 2.75621 8.73239 2.30051 GPRESSAVG: 988400 -18.123 -40.5572 2.45166 -37.6624 29.782 8.82234 3.12009 7.84589 1.54546 TIMING: 988400 CPU: 3111.77, 0.00321116/step Wall: 3111.77, 0.00321116/step, 3.5783 hours remaining, 237.238281 MB of memory in use. ENERGY: 988400 4004.6946 20735.9642 14445.7127 249.2176 -203494.0765 2672.6757 0.0000 0.0000 52195.0892 -109190.7226 299.9659 -161385.8118 -108829.7914 300.4712 36.9170 67.3322 760951.9605 4.2042 4.4015 PRESSURE: 988600 -189.393 -86.8142 133.178 -86.8142 51.1955 -52.7384 133.179 -52.7379 87.2849 GPRESSURE: 988600 -117.001 -132.169 52.4954 -50.308 91.5949 -4.98639 191.927 34.8827 50.5028 PRESSAVG: 988600 -15.1177 -14.0831 36.5831 -14.0831 5.67032 39.2707 36.583 39.2707 -9.0698 GPRESSAVG: 988600 -15.2991 -15.1111 36.6924 -15.5828 5.9961 39.9173 36.8698 40.0003 -8.88091 TIMING: 988600 CPU: 3112.4, 0.00317489/step Wall: 3112.4, 0.00317489/step, 3.53771 hours remaining, 237.480469 MB of memory in use. ENERGY: 988600 4009.1375 20537.2554 14529.0227 252.2002 -203278.5479 2379.4276 0.0000 0.0000 52356.4262 -109215.0785 300.8931 -161571.5047 -108844.3847 300.3023 -16.9709 8.3656 760725.7765 -6.1724 -6.0613 PRESSURE: 988800 36.2385 61.5663 -130.791 61.567 82.6765 125.932 -130.79 125.932 466.671 GPRESSURE: 988800 89.1524 123.999 -156.557 117.96 79.8252 101.02 -117.621 163.06 487.059 PRESSAVG: 988800 -34.2711 -44.8207 -12.9619 -44.8207 38.7271 -56.2761 -12.9619 -56.276 -2.90289 GPRESSAVG: 988800 -33.6868 -43.4042 -12.4075 -44.7138 37.5722 -58.7382 -13.2153 -54.209 -2.33872 TIMING: 988800 CPU: 3113.04, 0.00317294/step Wall: 3113.04, 0.00317294/step, 3.53536 hours remaining, 237.480469 MB of memory in use. ENERGY: 988800 3917.3374 20715.8704 14505.0684 252.6298 -203416.1132 2579.1612 0.0000 0.0000 52013.9339 -109432.1121 298.9248 -161446.0460 -109060.5594 299.8611 195.1955 218.6788 760759.5866 0.5177 0.5156 PRESSURE: 989000 -320.881 -210.412 -41.4918 -210.413 79.2894 114.976 -41.4925 114.977 -119.773 GPRESSURE: 989000 -212.739 -189.471 -9.15973 -88.2412 40.4616 92.7069 19.8892 104.141 -113.019 PRESSAVG: 989000 -18.6104 -31.7921 8.5688 -31.7922 0.0218651 -21.8984 8.5688 -21.8984 3.42376 GPRESSAVG: 989000 -18.8875 -33.1188 7.13424 -29.5136 1.61681 -20.7907 8.943 -26.1069 2.29805 TIMING: 989000 CPU: 3113.67, 0.00316119/step Wall: 3113.67, 0.00316118/step, 3.52209 hours remaining, 237.480469 MB of memory in use. ENERGY: 989000 3916.6621 20546.8421 14512.4143 266.3032 -203548.5799 2528.4527 0.0000 0.0000 52323.9900 -109453.9155 300.7067 -161777.9055 -109078.9239 299.7114 -120.4548 -95.0991 762339.0877 -5.0549 -4.9909 PRESSURE: 989200 320.61 176.213 101.956 176.214 -106.049 133.55 101.956 133.549 53.3357 GPRESSURE: 989200 285.451 112.724 93.6738 89.121 -19.3347 91.8574 56.952 116.936 84.2839 PRESSAVG: 989200 -18.351 -1.69839 -2.02278 -1.69836 -9.26331 -4.69958 -2.02279 -4.69953 -7.06386 GPRESSAVG: 989200 -18.7293 -0.324963 -1.62422 -4.62066 -8.31294 -6.89489 0.978405 -0.0454696 -7.34073 TIMING: 989200 CPU: 3114.3, 0.00315596/step Wall: 3114.3, 0.00315596/step, 3.51609 hours remaining, 237.480469 MB of memory in use. ENERGY: 989200 3971.3761 20561.8138 14424.9213 239.4711 -204012.8574 2831.0244 0.0000 0.0000 52147.5384 -109836.7123 299.6926 -161984.2507 -109463.2064 298.7898 89.2988 116.8000 761500.7236 -11.5594 -11.4610 PRESSURE: 989400 63.3464 72.0264 10.6546 72.0267 -77.2578 35.5917 10.6538 35.5916 -376.338 GPRESSURE: 989400 105.18 91.2294 34.1246 -8.87783 -28.4758 0.645687 -33.3977 4.38397 -385.105 PRESSAVG: 989400 2.98466 -11.4563 -5.00135 -11.4562 28.019 -34.4326 -5.00139 -34.4326 -17.901 GPRESSAVG: 989400 4.6181 -13.6768 -4.10179 -10.6624 27.3902 -31.0897 -7.06614 -36.0406 -18.2928 TIMING: 989400 CPU: 3114.93, 0.00314562/step Wall: 3114.93, 0.00314562/step, 3.50439 hours remaining, 237.480469 MB of memory in use. ENERGY: 989400 4049.2996 20483.4057 14440.1120 222.7245 -203439.5649 2560.4311 0.0000 0.0000 51736.8636 -109946.7283 297.3325 -161683.5920 -109588.4966 298.0631 -130.0832 -102.8003 759026.9675 4.3676 4.5718 PRESSURE: 989600 34.947 -37.5057 66.4578 -37.5057 -216.641 87.6822 66.4576 87.6832 187.022 GPRESSURE: 989600 76.2156 -169.308 28.0455 -47.0347 -167.825 61.859 86.5466 131.101 156.514 PRESSAVG: 989600 -2.62634 7.35311 -23.9308 7.35309 -6.55389 16.7775 -23.9308 16.7775 -5.35763 GPRESSAVG: 989600 -4.99423 10.1326 -23.3691 7.19907 -4.64159 14.5931 -24.8261 16.4018 -4.68678 TIMING: 989600 CPU: 3115.56, 0.00314857/step Wall: 3115.56, 0.00314857/step, 3.5075 hours remaining, 237.480469 MB of memory in use. ENERGY: 989600 3992.6222 20383.9384 14454.8684 245.9110 -203344.5687 2659.0034 0.0000 0.0000 51990.9485 -109617.2768 298.7927 -161608.2253 -109252.1581 298.6422 1.7759 21.6350 760085.7042 -4.8460 -4.7742 PRESSURE: 989800 -356.618 171.305 119.196 171.306 -191.622 -106.14 119.197 -106.14 -340.05 GPRESSURE: 989800 -286.707 144.274 103.371 12.25 -197.136 -192.806 11.3798 15.7691 -319.894 PRESSAVG: 989800 -42.854 3.4545 -4.37239 3.45445 37.5131 -8.1164 -4.37234 -8.11637 3.64887 GPRESSAVG: 989800 -41.8334 0.55412 -5.4508 4.62449 36.7538 -7.34914 -2.67045 -6.75614 3.25447 TIMING: 989800 CPU: 3116.19, 0.00313909/step Wall: 3116.19, 0.00313909/step, 3.49677 hours remaining, 237.683594 MB of memory in use. ENERGY: 989800 4102.6841 20450.7117 14483.5699 233.6580 -203493.7124 2607.6979 0.0000 0.0000 52023.6283 -109591.7624 298.9805 -161615.3908 -109227.2066 298.8203 -296.0965 -267.9123 760737.8264 -0.5640 -0.6084 PRESSURE: 990000 -201.894 -77.3593 -38.3617 -77.3581 256.938 -271.936 -38.3614 -271.935 -186.756 GPRESSURE: 990000 -145.842 -56.9624 -83.8975 -63.1434 287.725 -278.914 43.8485 -193.908 -189.807 PRESSAVG: 990000 71.2299 -55.9618 -41.0831 -55.9618 7.86076 -50.7461 -41.083 -50.7462 -11.6843 GPRESSAVG: 990000 71.4604 -53.1464 -40.8404 -58.4124 6.95159 -51.043 -41.9247 -52.1434 -11.2238 TIMING: 990000 CPU: 3116.82, 0.00315758/step Wall: 3116.82, 0.00315758/step, 3.51719 hours remaining, 237.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 990000 4033.2668 20467.0795 14479.3195 225.5040 -203274.8798 2718.8933 0.0000 0.0000 51853.3355 -109497.4812 298.0018 -161350.8167 -109142.7866 298.8682 -43.9043 -15.9747 762872.8323 22.4688 22.3961 PRESSURE: 990200 -365.115 7.6352 284.403 7.63502 -186.38 24.7252 284.404 24.7252 -601.252 GPRESSURE: 990200 -407.908 -20.1567 298.372 -78.4165 -113.327 45.6151 254.797 8.26652 -549.506 PRESSAVG: 990200 -3.63364 -58.0637 2.25092 -58.0637 23.069 -17.5851 2.25084 -17.5849 3.58281 GPRESSAVG: 990200 -3.30909 -59.4639 3.93849 -57.4958 22.9096 -15.9878 1.9738 -16.9014 3.93124 TIMING: 990200 CPU: 3117.45, 0.00316604/step Wall: 3117.45, 0.00316604/step, 3.52645 hours remaining, 237.683594 MB of memory in use. ENERGY: 990200 4056.8710 20546.5641 14486.3507 253.3135 -203270.5463 2391.5377 0.0000 0.0000 52015.3722 -109520.5371 298.9331 -161535.9093 -109165.9850 299.1839 -384.2491 -356.9135 761464.1556 7.6727 7.8439 PRESSURE: 990400 20.5803 -94.8261 52.3987 -94.8259 391.296 291.454 52.3981 291.454 83.6237 GPRESSURE: 990400 75.0685 -193.175 95.9357 -91.6263 542.659 281.26 -47.0291 188.252 -43.775 PRESSAVG: 990400 1.36058 -42.2208 8.94349 -42.2208 -27.675 31.9269 8.94345 31.9269 16.9849 GPRESSAVG: 990400 0.962819 -44.4445 8.94518 -40.5729 -27.0086 30.0951 10.1928 30.029 16.7957 TIMING: 990400 CPU: 3118.08, 0.00315451/step Wall: 3118.08, 0.00315451/step, 3.51342 hours remaining, 237.683594 MB of memory in use. ENERGY: 990400 4003.0813 20462.2265 14442.2246 243.7671 -203427.5328 2841.5491 0.0000 0.0000 51954.5985 -109480.0857 298.5838 -161434.6842 -109114.3558 298.8451 165.1666 191.3175 761853.6800 -3.1098 -3.0833 PRESSURE: 990600 -175.378 270.734 -81.3201 270.733 150.679 54.9613 -81.3202 54.9617 137.638 GPRESSURE: 990600 -162.359 219.732 -94.2441 47.788 135.169 59.1447 -195.523 61.7933 208.39 PRESSAVG: 990600 -5.08383 -24.5928 -5.78007 -24.5928 14.4508 -4.22423 -5.78009 -4.22422 20.6372 GPRESSAVG: 990600 -4.5997 -23.0877 -5.92913 -24.1846 14.2816 -3.43877 -6.52229 -2.44567 19.52 TIMING: 990600 CPU: 3118.72, 0.00316313/step Wall: 3118.72, 0.00316313/step, 3.52285 hours remaining, 237.683594 MB of memory in use. ENERGY: 990600 4000.8262 20565.9363 14462.6049 240.1065 -203579.8133 2738.4332 0.0000 0.0000 52025.9245 -109545.9817 298.9937 -161571.9062 -109187.8127 298.9902 37.6462 60.3997 762425.4048 10.0014 9.7340 PRESSURE: 990800 -245.033 -137.667 -266.334 -137.667 -36.2883 -54.7533 -266.335 -54.7534 -200.896 GPRESSURE: 990800 -206.168 -55.7938 -210.954 -155.648 4.11541 -85.744 -292.446 113.299 -192.615 PRESSAVG: 990800 -8.88327 -54.5137 -43.4761 -54.5137 46.4787 41.8511 -43.4761 41.8511 11.9477 GPRESSAVG: 990800 -9.11561 -52.5251 -45.135 -56.4261 46.1556 40.5412 -41.0519 41.3406 13.0162 TIMING: 990800 CPU: 3119.34, 0.00313964/step Wall: 3119.34, 0.00313964/step, 3.49651 hours remaining, 237.683594 MB of memory in use. ENERGY: 990800 3952.7546 20542.6196 14496.2794 262.9893 -203172.9169 2473.4875 0.0000 0.0000 51818.6992 -109626.0871 297.8028 -161444.7863 -109260.8602 298.6516 -160.7392 -131.5557 761928.8761 16.5144 16.6854 PRESSURE: 991000 229.451 162.693 52.5842 162.694 27.9788 105.355 52.5845 105.357 -333.864 GPRESSURE: 991000 255.92 135.312 34.5003 108.658 4.68614 143.471 106.486 17.9608 -255.201 PRESSAVG: 991000 28.2168 -12.0659 68.3663 -12.066 -14.3262 -47.3339 68.3664 -47.3338 -19.5436 GPRESSAVG: 991000 27.7866 -13.5748 67.8965 -9.14229 -13.8345 -46.3342 67.2487 -47.759 -20.4737 TIMING: 991000 CPU: 3119.97, 0.0031385/step Wall: 3119.97, 0.0031385/step, 3.49507 hours remaining, 237.683594 MB of memory in use. ENERGY: 991000 4008.3561 20424.8250 14507.3063 254.0050 -203342.5047 2484.8961 0.0000 0.0000 51932.9064 -109730.2097 298.4591 -161663.1161 -109368.6060 298.1897 -25.4779 1.8019 759343.0387 -1.8843 -2.1739 PRESSURE: 991200 127.006 -36.8824 -51.5967 -36.8816 -591.198 -101.139 -51.596 -101.138 -306.913 GPRESSURE: 991200 57.4621 -51.4035 18.7635 -94.9752 -477.95 -41.9364 -7.0507 1.14483 -273.217 PRESSAVG: 991200 11.5841 -19.7023 43.4893 -19.7023 -31.8048 -9.36894 43.4893 -9.36896 -0.955393 GPRESSAVG: 991200 10.6423 -18.2585 45.5586 -24.5251 -31.3416 -8.67521 42.2787 -9.85468 -0.871904 TIMING: 991200 CPU: 3120.6, 0.00314905/step Wall: 3120.6, 0.00314905/step, 3.50664 hours remaining, 237.683594 MB of memory in use. ENERGY: 991200 3935.7170 20510.3532 14553.0577 247.4454 -203082.5776 2221.5507 0.0000 0.0000 51988.8506 -109625.6030 298.7806 -161614.4536 -109272.1557 298.5378 -257.0351 -231.2349 761412.7950 -7.0587 -7.1904 PRESSURE: 991400 -224.048 298.616 -22.6061 298.616 -24.4299 -22.1078 -22.6058 -22.1091 -410.036 GPRESSURE: 991400 -243.677 257.288 -21.1661 273.059 -12.5953 -38.1518 -55.3855 -34.1498 -329.978 PRESSAVG: 991400 28.5783 -12.7769 43.452 -12.7769 3.52382 -14.0579 43.4521 -14.0578 -5.03602 GPRESSAVG: 991400 29.3529 -15.3321 42.3542 -9.76719 2.30168 -14.988 45.5668 -13.0502 -4.39603 TIMING: 991400 CPU: 3121.23, 0.00315028/step Wall: 3121.23, 0.00315028/step, 3.50784 hours remaining, 237.683594 MB of memory in use. ENERGY: 991400 3975.0496 20380.1122 14586.1979 258.1153 -202878.7188 2185.5364 0.0000 0.0000 51883.8729 -109609.8345 298.1773 -161493.7074 -109243.4558 298.5667 -219.5045 -195.4165 760112.9137 9.0220 9.0862 PRESSURE: 991600 -148.146 -208.789 135.174 -208.789 -262.398 190.358 135.173 190.358 -772.258 GPRESSURE: 991600 -132.719 -169.578 136.627 -79.1612 -243.413 151.754 21.6974 106.034 -720.645 PRESSAVG: 991600 37.9241 -6.05676 -6.14759 -6.05676 -15.171 -37.6069 -6.14768 -37.6068 -7.84907 GPRESSAVG: 991600 37.336 -4.76626 -6.31432 -5.2998 -15.2207 -38.8473 -8.18429 -38.5154 -7.43378 TIMING: 991600 CPU: 3121.86, 0.00313424/step Wall: 3121.86, 0.00313424/step, 3.4898 hours remaining, 237.683594 MB of memory in use. ENERGY: 991600 4019.4057 20360.5587 14540.5326 243.5825 -203269.7496 2513.0215 0.0000 0.0000 52144.3486 -109448.3001 299.6743 -161592.6487 -109091.5752 299.0236 -394.2672 -365.5921 762577.1166 4.9680 4.8938 PRESSURE: 991800 167.171 -64.8668 -223.84 -64.8668 142.67 -14.1741 -223.841 -14.1751 282.524 GPRESSURE: 991800 193.963 -204.131 -123.183 -108.676 228.026 -108.036 -29.9387 112.946 248.879 PRESSAVG: 991800 -40.3259 -21.4811 -46.2297 -21.4811 -1.03699 -65.7333 -46.2297 -65.7333 -32.259 GPRESSAVG: 991800 -40.8123 -19.7305 -45.7162 -23.768 -0.206466 -64.976 -43.9596 -65.647 -32.5125 TIMING: 991800 CPU: 3122.49, 0.00315359/step Wall: 3122.49, 0.00315359/step, 3.51118 hours remaining, 237.683594 MB of memory in use. ENERGY: 991800 4012.8194 20338.5250 14504.9282 248.8881 -203574.7565 2868.0839 0.0000 0.0000 51926.3238 -109675.1880 298.4213 -161601.5119 -109312.6133 298.6610 197.4551 223.6226 759789.8535 -24.5406 -24.5104 PRESSURE: 992000 -237.267 -50.4166 -146.481 -50.4171 -166.578 -142.524 -146.482 -142.524 -488.243 GPRESSURE: 992000 -134.967 49.2338 -110.993 -119.993 -251.924 -48.6652 -192.139 -155.392 -443.102 PRESSAVG: 992000 -0.951822 4.15884 -28.2062 4.15887 15.9743 -21.2595 -28.2061 -21.2596 18.3986 GPRESSAVG: 992000 -0.09925 2.18468 -27.3635 4.19944 15.1705 -20.9154 -29.636 -20.5274 17.9122 TIMING: 992000 CPU: 3123.12, 0.0031541/step Wall: 3123.12, 0.0031541/step, 3.51156 hours remaining, 237.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 992000 3997.3592 20568.6617 14491.7745 246.1023 -203040.9894 2241.5029 0.0000 0.0000 52148.3568 -109347.2321 299.6973 -161495.5889 -108983.1190 298.9187 -297.3628 -276.6644 761858.6676 11.1404 10.9945 PRESSURE: 992200 62.5516 88.809 204.575 88.8095 102.055 -406.319 204.575 -406.319 462.15 GPRESSURE: 992200 138.499 175.1 149.101 -4.67809 57.6124 -346.782 212.339 -226.663 501.821 PRESSAVG: 992200 -63.2996 18.6693 70.9999 18.6693 32.1646 -0.481047 70.9999 -0.481138 10.6055 GPRESSAVG: 992200 -63.5865 20.4097 69.1291 19.5688 32.8524 -0.877532 71.4553 -0.17441 10.6703 TIMING: 992200 CPU: 3123.75, 0.00314842/step Wall: 3123.75, 0.00314842/step, 3.50506 hours remaining, 237.683594 MB of memory in use. ENERGY: 992200 3929.8077 20348.7224 14494.1132 240.5587 -203228.4210 2678.8120 0.0000 0.0000 52229.8021 -109306.6049 300.1654 -161536.4071 -108929.3168 299.2356 208.9188 232.6443 760856.2021 -6.8432 -6.6879 LDB: ============= START OF LOAD BALANCING ============== 3136.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3136.15 LDB: =============== DONE WITH MIGRATION ================ 3136.15 LDB: ============= START OF LOAD BALANCING ============== 3136.47 LDB: Largest compute 7026 load 0.033626 is 17.2% of average load 0.195851 LDB: Average compute 0.004381 is 2.2% of average load 0.195851 LDB: TIME 3136.47 LOAD: AVG 0.195851 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.762 MB LDB: TIME 3136.47 LOAD: AVG 0.195851 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.832 MB LDB: TIME 3136.47 LOAD: AVG 0.195851 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3136.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3136.48 PRESSURE: 992400 -157.453 -165.412 175.593 -165.413 -65.9286 139.502 175.593 139.5 52.9854 GPRESSURE: 992400 -116.362 -27.9349 92.1508 -170.901 -14.6776 169.189 105.034 59.7586 30.5528 PRESSAVG: 992400 -28.6325 -17.1062 66.745 -17.1061 -3.9645 -35.5282 66.745 -35.5282 -12.1385 GPRESSAVG: 992400 -27.8092 -18.8585 67.1371 -17.4108 -2.59306 -33.9943 66.5276 -39.7582 -13.5853 TIMING: 992400 CPU: 3124.4, 0.00324325/step Wall: 3124.4, 0.00324325/step, 3.61046 hours remaining, 235.890625 MB of memory in use. ENERGY: 992400 4067.5123 20544.5790 14518.2372 236.1714 -203278.1179 2387.5380 0.0000 0.0000 52269.9213 -109254.1587 300.3960 -161524.0800 -108893.3351 299.3240 -56.7989 -33.4957 761132.9711 -14.9118 -14.6625 PRESSURE: 992600 48.0659 -107.05 -199.213 -107.051 -174.321 127.008 -199.213 127.006 -113.615 GPRESSURE: 992600 148.455 -193.782 -131.101 -15.4691 -251.948 89.0115 -219.73 16.4582 -31.9068 PRESSAVG: 992600 74.0381 -96.7419 14.1217 -96.7418 -53.2495 0.892764 14.1218 0.892709 -5.02548 GPRESSAVG: 992600 72.9168 -95.8132 14.405 -96.3808 -52.8467 -1.50039 15.7402 3.00851 -3.99419 TIMING: 992600 CPU: 3125.03, 0.00316993/step Wall: 3125.03, 0.00316993/step, 3.52866 hours remaining, 236.093750 MB of memory in use. ENERGY: 992600 3941.5503 20487.6926 14579.6776 249.8170 -203219.0457 2484.6550 0.0000 0.0000 52238.5530 -109237.1003 300.2157 -161475.6533 -108864.5227 300.1335 -79.9568 -45.1333 761213.0528 5.2544 5.3587 PRESSURE: 992800 -586.199 -102.448 -144.805 -102.449 -13.8299 -113.859 -144.805 -113.859 -169.451 GPRESSURE: 992800 -517.985 -251.685 -110.463 25.3158 16.9177 -76.4907 -64.144 -88.6225 -181.849 PRESSAVG: 992800 36.2494 -72.5587 31.0474 -72.5586 -30.9956 14.4811 31.0474 14.481 -15.5991 GPRESSAVG: 992800 37.8933 -72.8432 31.8003 -70.5673 -32.0027 14.9366 29.5988 16.7448 -16.3597 TIMING: 992800 CPU: 3125.67, 0.00316824/step Wall: 3125.67, 0.00316824/step, 3.52661 hours remaining, 236.093750 MB of memory in use. ENERGY: 992800 3982.2228 20615.0294 14453.3324 258.7842 -203362.5904 2628.1917 0.0000 0.0000 52371.6183 -109053.4115 300.9804 -161425.0298 -108700.3341 300.0289 -256.4934 -227.6388 760194.0945 -3.4484 -3.4897 PRESSURE: 993000 -41.8477 -22.2431 68.2146 -22.2441 -27.1751 -128.187 68.2141 -128.187 -112.919 GPRESSURE: 993000 -26.8544 57.0335 71.2803 56.53 37.5465 -156.985 80.2758 -86.1529 -89.3539 PRESSAVG: 993000 3.96805 -23.1606 21.9057 -23.1605 14.4854 -16.0014 21.9056 -16.0015 13.6172 GPRESSAVG: 993000 4.23193 -23.2878 21.9343 -26.6243 14.3232 -15.1569 19.8624 -18.9041 13.7905 TIMING: 993000 CPU: 3126.3, 0.00316977/step Wall: 3126.3, 0.00316977/step, 3.52813 hours remaining, 236.093750 MB of memory in use. ENERGY: 993000 3992.0504 20496.5954 14535.1359 262.1330 -202804.6683 2544.7527 0.0000 0.0000 52168.9308 -108805.0700 299.8156 -160974.0008 -108451.6990 300.8094 -60.6471 -26.2206 762654.7218 10.6902 10.7819 PRESSURE: 993200 81.6965 167.384 183.746 167.385 28.4145 115.429 183.746 115.429 129.67 GPRESSURE: 993200 86.1332 104.657 169.074 154.485 90.5073 88.7771 166.681 148.491 148.193 PRESSAVG: 993200 -27.8374 13.559 26.4114 13.5591 14.6024 11.309 26.4114 11.309 -6.31655 GPRESSAVG: 993200 -29.6203 12.9521 24.9744 15.7501 15.2863 11.3641 27.7993 11.3777 -5.31288 TIMING: 993200 CPU: 3126.93, 0.00316722/step Wall: 3126.93, 0.00316722/step, 3.52512 hours remaining, 236.093750 MB of memory in use. ENERGY: 993200 3948.9224 20709.3742 14470.9827 261.7177 -202639.5300 2189.2687 0.0000 0.0000 52320.0473 -108739.2171 300.6840 -161059.2644 -108377.2085 300.6711 79.9268 108.2778 761752.3398 -6.5172 -6.5490 PRESSURE: 993400 -225.498 55.9335 63.5605 55.9331 81.6489 -43.8887 63.5606 -43.8897 435.247 GPRESSURE: 993400 -127.637 -104.653 -10.5087 -57.4164 113.562 10.9158 28.4441 -13.0898 390.446 PRESSAVG: 993400 49.1348 -42.2041 -6.78541 -42.2041 -57.6156 -13.7667 -6.78543 -13.7667 9.34196 GPRESSAVG: 993400 51.4675 -43.6615 -6.47674 -43.8503 -57.2098 -15.8628 -7.52653 -10.6379 6.70545 TIMING: 993400 CPU: 3127.56, 0.00315687/step Wall: 3127.56, 0.00315688/step, 3.51343 hours remaining, 236.093750 MB of memory in use. ENERGY: 993400 3947.9685 20619.3118 14455.7281 260.5599 -203064.1426 2628.5240 0.0000 0.0000 52393.0594 -108758.9908 301.1036 -161152.0503 -108396.4712 300.5183 97.1328 125.4568 761500.3326 0.2871 0.3210 PRESSURE: 993600 -271.329 -275.129 129.173 -275.129 -432.877 -13.7141 129.173 -13.7141 -403.616 GPRESSURE: 993600 -193.487 -305.676 175.301 -316.968 -421.321 0.158003 32.4263 -85.7525 -419.658 PRESSAVG: 993600 30.8503 -18.8706 14.4406 -18.8706 -38.4666 -61.2446 14.4406 -61.2446 3.23117 GPRESSAVG: 993600 29.4784 -19.1057 15.5391 -17.5769 -38.7668 -60.2235 13.0676 -62.7233 5.06931 TIMING: 993600 CPU: 3128.2, 0.00316519/step Wall: 3128.2, 0.00316519/step, 3.5225 hours remaining, 236.093750 MB of memory in use. ENERGY: 993600 3973.1936 20543.8814 14506.9950 249.2798 -202643.9974 2237.2879 0.0000 0.0000 52271.8274 -108861.5322 300.4069 -161133.3596 -108504.2448 300.1082 -369.2742 -344.8217 762882.5565 -1.4617 -1.4063 PRESSURE: 993800 -61.0357 -15.6787 -40.8193 -15.6795 -71.9084 -55.9019 -40.818 -55.9017 -335.843 GPRESSURE: 993800 -90.2266 -43.7553 -155.761 49.2455 13.3844 -54.1665 22.5469 75.9005 -303.103 PRESSAVG: 993800 14.9717 -78.0244 39.5446 -78.0244 -2.85627 -0.0880378 39.5446 -0.0880295 9.33082 GPRESSAVG: 993800 16.2876 -75.3878 38.5108 -78.7267 -3.4192 -0.453607 42.2364 0.80322 8.9437 TIMING: 993800 CPU: 3128.83, 0.00316269/step Wall: 3128.83, 0.0031627/step, 3.51955 hours remaining, 236.093750 MB of memory in use. ENERGY: 993800 3991.3813 20560.5349 14550.6686 242.3779 -202709.4635 2353.1134 0.0000 0.0000 52291.1640 -108720.2234 300.5180 -161011.3874 -108357.7950 300.3034 -156.2624 -126.6484 763895.0526 7.1487 7.2707 PRESSURE: 994000 181.536 -60.9965 -17.5892 -60.9962 -272.828 25.2591 -17.5877 25.2594 -443.43 GPRESSURE: 994000 177.397 -146.218 0.871843 -22.9538 -229.585 40.9233 -10.6647 65.2638 -380.718 PRESSAVG: 994000 -15.7676 -59.3862 27.1925 -59.3863 -0.320223 -41.1685 27.1925 -41.1685 29.4828 GPRESSAVG: 994000 -16.0532 -61.2346 27.0438 -60.7448 -0.260373 -38.2474 25.722 -42.0366 30.3334 TIMING: 994000 CPU: 3129.46, 0.00315629/step Wall: 3129.46, 0.00315629/step, 3.51225 hours remaining, 236.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 994000 3939.1491 20497.6558 14530.3139 262.6431 -203031.6396 2499.9251 0.0000 0.0000 52354.3943 -108947.5584 300.8814 -161301.9527 -108581.9120 300.1427 -178.2407 -144.3018 761287.3918 4.4650 4.6733 PRESSURE: 994200 263.373 -12.6169 -220.393 -12.6179 146.367 119.214 -220.392 119.214 148.017 GPRESSURE: 994200 266.58 -44.1395 -129.949 106.738 191.759 185.615 -177.464 -18.3277 171.745 PRESSAVG: 994200 45.0429 -8.61849 -17.5552 -8.61846 -32.2654 7.21332 -17.5552 7.21336 -6.3749 GPRESSAVG: 994200 45.1007 -6.87697 -18.8097 -8.29318 -31.547 4.9167 -16.4058 6.623 -7.54453 TIMING: 994200 CPU: 3130.1, 0.00318556/step Wall: 3130.1, 0.00318556/step, 3.54464 hours remaining, 236.093750 MB of memory in use. ENERGY: 994200 4023.8555 20519.1426 14440.0891 234.8966 -202835.4008 2521.9776 0.0000 0.0000 52294.4162 -108801.0233 300.5367 -161095.4394 -108427.3776 300.6072 185.9192 210.0280 762123.3635 2.1342 2.0031 PRESSURE: 994400 -103.584 36.8064 -191.075 36.8064 -453.828 3.37014 -191.074 3.37 -277.683 GPRESSURE: 994400 -98.3332 23.3704 -155.138 134.82 -413.248 86.3542 -166.862 236.38 -243.049 PRESSAVG: 994400 9.044 -4.45496 -40.0868 -4.45491 -24.4847 14.5498 -40.0868 14.5498 5.17296 GPRESSAVG: 994400 8.89115 -5.83305 -38.1616 -2.74402 -24.1313 14.4823 -40.0109 15.966 4.81137 TIMING: 994400 CPU: 3130.73, 0.00316978/step Wall: 3130.73, 0.00316978/step, 3.52691 hours remaining, 236.093750 MB of memory in use. ENERGY: 994400 4074.8367 20607.1367 14468.6568 241.4787 -202764.5736 2387.3541 0.0000 0.0000 52189.4695 -108795.6411 299.9336 -160985.1106 -108430.2276 300.7013 -278.3650 -251.5436 761812.7735 -3.4226 -3.4763 PRESSURE: 994600 26.4674 -83.441 47.9851 -83.4409 199.874 121.041 47.9839 121.041 124.501 GPRESSURE: 994600 81.3694 -153.111 -19.264 59.7591 197.576 71.6709 -48.4836 77.1855 162.866 PRESSAVG: 994600 -27.4831 -42.8233 -29.8802 -42.8233 13.3558 16.3251 -29.8802 16.3251 -8.64824 GPRESSAVG: 994600 -28.7523 -41.8043 -30.7367 -43.335 13.8354 15.137 -28.7148 14.3018 -7.44429 TIMING: 994600 CPU: 3131.36, 0.00315731/step Wall: 3131.36, 0.00315731/step, 3.51285 hours remaining, 236.093750 MB of memory in use. ENERGY: 994600 4003.4722 20712.8320 14569.2200 250.3144 -202560.3181 2229.7340 0.0000 0.0000 51896.1672 -108898.5783 298.2480 -160794.7455 -108543.9286 299.9623 116.9476 147.2706 761921.0526 -7.5918 -7.4537 PRESSURE: 994800 -354.453 -180.608 64.0413 -180.609 71.1426 -117.499 64.041 -117.499 -253.96 GPRESSURE: 994800 -383 -93.0089 68.3848 -136.188 95.5424 -88.7068 -68.1129 -65.0536 -191.689 PRESSAVG: 994800 -26.0807 -30.7676 3.17699 -30.7676 47.6997 -21.3979 3.17701 -21.398 -5.02443 GPRESSAVG: 994800 -26.2192 -33.5547 2.78751 -29.3125 47.09 -19.1761 1.14576 -22.4214 -3.98462 TIMING: 994800 CPU: 3132, 0.00317189/step Wall: 3132, 0.00317189/step, 3.5289 hours remaining, 236.093750 MB of memory in use. ENERGY: 994800 4038.4188 20636.3858 14559.3475 246.7045 -202718.2402 2356.2956 0.0000 0.0000 51873.4503 -109007.6377 298.1174 -160881.0880 -108648.5391 299.5830 -179.0902 -159.7158 760012.9202 5.5315 5.6287 PRESSURE: 995000 41.9504 68.5677 -107.293 68.5669 -84.5942 139.561 -107.293 139.562 -203.334 GPRESSURE: 995000 44.2782 41.6751 -54.5318 -3.26581 -5.24232 128.394 -59.5708 70.5321 -204.082 PRESSAVG: 995000 16.6365 24.0653 13.1329 24.0652 1.17859 24.5236 13.133 24.5236 -23.5993 GPRESSAVG: 995000 16.3844 25.8846 14.7841 21.2704 2.9915 23.7964 12.8868 25.2868 -25.2612 TIMING: 995000 CPU: 3132.64, 0.00318945/step Wall: 3132.64, 0.00318945/step, 3.54826 hours remaining, 236.093750 MB of memory in use. ENERGY: 995000 4055.0552 20606.7228 14548.6206 239.2646 -202936.5564 2150.8793 0.0000 0.0000 52342.7434 -108993.2704 300.8145 -161336.0138 -108635.8965 300.0013 -81.9927 -55.0154 762304.8847 -1.9281 -1.9618 PRESSURE: 995200 17.5988 109.133 -105.875 109.134 400.508 -113.801 -105.875 -113.802 -104.839 GPRESSURE: 995200 69.4439 84.8855 -171.116 187.654 393.882 -137.687 -123.491 -126.36 -52.7031 PRESSAVG: 995200 -12.466 -2.82586 -1.97333 -2.82586 53.5345 -27.6476 -1.97341 -27.6476 -30.0907 GPRESSAVG: 995200 -12.5123 -4.32511 -2.09757 -1.42679 52.4503 -27.1149 -0.761045 -26.5972 -28.9459 TIMING: 995200 CPU: 3133.27, 0.00316517/step Wall: 3133.27, 0.00316517/step, 3.52108 hours remaining, 236.093750 MB of memory in use. ENERGY: 995200 3982.9673 20349.5374 14482.9613 248.8285 -203020.8551 2579.7556 0.0000 0.0000 52271.1287 -109105.6762 300.4029 -161376.8049 -108736.8063 300.2053 104.4226 136.8741 760711.3062 3.6593 3.6640 PRESSURE: 995400 67.0556 90.0446 -191.345 90.0443 -8.85166 140.635 -191.346 140.634 -227.055 GPRESSURE: 995400 54.6307 28.7574 -146.457 27.1867 43.9009 55.4879 -268.377 174.235 -190.91 PRESSAVG: 995400 12.203 8.07978 -49.6608 8.0798 -7.48575 7.72813 -49.6608 7.72814 1.95155 GPRESSAVG: 995400 14.4866 10.2248 -50.066 6.5317 -8.75734 7.59536 -48.198 7.56666 1.76112 TIMING: 995400 CPU: 3133.9, 0.0031614/step Wall: 3133.9, 0.0031614/step, 3.51671 hours remaining, 236.093750 MB of memory in use. ENERGY: 995400 3958.4502 20581.6574 14561.2239 239.6689 -202834.1025 2192.7377 0.0000 0.0000 52190.9778 -109109.3866 299.9423 -161300.3644 -108755.1161 300.1385 -56.2837 -30.7928 760661.8226 2.2229 2.4968 PRESSURE: 995600 187.119 230.757 96.4636 230.758 -127.042 51.4594 96.4634 51.4597 -117.058 GPRESSURE: 995600 201.942 269.97 52.0626 153.954 -65.4203 101.529 9.60948 7.12048 -121.436 PRESSAVG: 995600 -36.085 -6.53221 2.90171 -6.53224 6.25103 -15.1326 2.90176 -15.1326 -6.12316 GPRESSAVG: 995600 -37.0384 -5.27117 4.18896 -5.38855 7.76224 -15.7038 2.08573 -15.8634 -6.26898 TIMING: 995600 CPU: 3134.53, 0.0031614/step Wall: 3134.53, 0.0031614/step, 3.51653 hours remaining, 236.093750 MB of memory in use. ENERGY: 995600 4000.2127 20482.2062 14575.8929 260.6555 -203469.6293 2574.1412 0.0000 0.0000 52275.6938 -109300.8270 300.4291 -161576.5209 -108931.8418 299.6338 -18.9934 5.0286 761244.5171 -11.9857 -11.8484 PRESSURE: 995800 -27.4395 21.36 -170.976 21.36 -169.607 79.5668 -170.976 79.566 -300.396 GPRESSURE: 995800 35.1529 -65.8016 -94.6453 -59.3308 -131.219 86.4888 -178.841 -7.98079 -328.109 PRESSAVG: 995800 18.5078 44.5524 34.03 44.5524 -16.8223 42.3247 34.03 42.3246 7.35631 GPRESSAVG: 995800 18.3711 43.5251 32.6245 46.1455 -16.6369 42.3362 35.0055 44.3762 7.42337 TIMING: 995800 CPU: 3135.17, 0.00316482/step Wall: 3135.17, 0.00316482/step, 3.52016 hours remaining, 236.093750 MB of memory in use. ENERGY: 995800 3840.2455 20600.6233 14490.7170 243.1455 -203304.4529 2378.3999 0.0000 0.0000 52308.4670 -109442.8546 300.6175 -161751.3217 -109080.6974 299.2395 -165.8141 -141.3915 760466.4817 3.0139 3.0525 PRESSURE: 996000 156.002 145.83 11.4625 145.83 -190.339 -70.1052 11.4635 -70.1046 -215.682 GPRESSURE: 996000 182.695 130.75 33.3376 99.1035 -209.018 -131.422 -98.6267 -15.556 -150.387 PRESSAVG: 996000 21.8998 -25.0652 31.9665 -25.0652 7.80587 -13.8491 31.9665 -13.849 -1.19535 GPRESSAVG: 996000 23.2774 -25.5434 33.149 -26.5393 6.35766 -14.2089 30.7978 -13.8428 -1.00136 TIMING: 996000 CPU: 3135.8, 0.00315252/step Wall: 3135.8, 0.00315252/step, 3.5063 hours remaining, 236.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 996000 3967.0534 20670.7680 14506.2138 229.6938 -203595.3660 2503.7019 0.0000 0.0000 52133.8224 -109584.1127 299.6138 -161717.9350 -109223.6920 299.5049 -83.3394 -58.9030 759909.5006 9.5034 9.5446 PRESSURE: 996200 -201.193 -88.2121 -23.5271 -88.2117 -226.697 -63.0334 -23.5276 -63.0335 -233.646 GPRESSURE: 996200 -42.2421 -57.6856 -155.761 70.218 -238.687 -69.5516 -63.099 -25.9606 -305.341 PRESSAVG: 996200 20.6502 -37.757 -0.883534 -37.7571 -26.8957 55.0603 -0.883557 55.0603 7.76303 GPRESSAVG: 996200 19.5491 -37.7991 -1.44405 -36.2593 -26.6507 55.4546 -1.11764 53.0706 8.7457 TIMING: 996200 CPU: 3136.43, 0.00316972/step Wall: 3136.43, 0.00316972/step, 3.52526 hours remaining, 236.093750 MB of memory in use. ENERGY: 996200 4047.8902 20361.7423 14510.7479 255.8950 -203481.6155 2585.8155 0.0000 0.0000 52189.7625 -109529.7620 299.9353 -161719.5244 -109165.9814 298.9505 -220.5122 -195.4232 763288.4982 0.5059 0.5480 LDB: ============= START OF LOAD BALANCING ============== 3148.83 LDB: ============== END OF LOAD BALANCING =============== 3148.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3148.83 LDB: ============= START OF LOAD BALANCING ============== 3149.15 LDB: Largest compute 7026 load 0.036031 is 18.4% of average load 0.195930 LDB: Average compute 0.004379 is 2.2% of average load 0.195930 LDB: TIME 3149.15 LOAD: AVG 0.19593 MAX 0.21549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.402 MB LDB: TIME 3149.15 LOAD: AVG 0.19593 MAX 0.21549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.609 MB LDB: TIME 3149.15 LOAD: AVG 0.19593 MAX 0.21549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.609 MB LDB: ============== END OF LOAD BALANCING =============== 3149.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3149.16 PRESSURE: 996400 53.1116 211.018 -95.6354 211.019 32.9908 71.7899 -95.6344 71.7901 27.1939 GPRESSURE: 996400 93.9253 121.518 -162.86 165.801 160.522 68.9708 -80.3265 156.26 -45.2923 PRESSAVG: 996400 11.6487 0.755242 2.77494 0.755284 -21.9523 44.3483 2.77495 44.3483 7.12296 GPRESSAVG: 996400 11.1191 -0.379493 3.16892 0.0367775 -21.9395 45.511 3.12241 45.3651 7.29637 TIMING: 996400 CPU: 3137.08, 0.00324139/step Wall: 3137.08, 0.00324139/step, 3.60478 hours remaining, 236.972656 MB of memory in use. ENERGY: 996400 3965.3896 20469.3481 14541.4527 258.6739 -203236.2504 2424.1219 0.0000 0.0000 52032.4758 -109544.7882 299.0314 -161577.2641 -109187.5362 299.1049 37.7654 69.7184 760731.5664 -1.0602 -1.1747 PRESSURE: 996600 9.02794 -45.112 -107.354 -45.1124 326.206 20.5677 -107.354 20.5684 130.258 GPRESSURE: 996600 59.0014 -53.7551 -82.6985 -177.432 361.942 62.8402 -138.543 8.1116 133.998 PRESSAVG: 996600 3.24253 21.8842 -15.3783 21.8842 -2.4951 29.0349 -15.3783 29.0349 7.36015 GPRESSAVG: 996600 3.86269 21.112 -14.3911 20.7131 -0.931791 28.4124 -14.5964 27.8597 5.27217 TIMING: 996600 CPU: 3137.71, 0.00317511/step Wall: 3137.71, 0.00317511/step, 3.5309 hours remaining, 237.175781 MB of memory in use. ENERGY: 996600 3993.7027 20385.6368 14494.8274 253.5500 -203577.1825 2839.4097 0.0000 0.0000 51943.5090 -109666.5470 298.5201 -161610.0559 -109308.1634 298.4277 155.1641 184.9805 761257.7271 2.7025 2.7344 PRESSURE: 996800 131.867 -44.0906 20.7149 -44.0895 -87.9314 177.863 20.7152 177.863 10.3472 GPRESSURE: 996800 220.105 -13.1401 -48.9841 -25.7452 -118.662 204.08 15.1162 244.507 33.903 PRESSAVG: 996800 -19.8702 -44.3014 -64.5438 -44.3014 14.8465 65.2468 -64.5439 65.2468 -20.3351 GPRESSAVG: 996800 -19.6 -40.2164 -66.3866 -47.4619 13.6849 66.7969 -63.8181 67.3067 -18.9734 TIMING: 996800 CPU: 3138.35, 0.00316827/step Wall: 3138.35, 0.00316827/step, 3.52312 hours remaining, 237.175781 MB of memory in use. ENERGY: 996800 3943.6304 20446.6662 14553.0978 244.3998 -202975.6131 2440.0152 0.0000 0.0000 51764.9613 -109582.8424 297.4939 -161347.8037 -109217.7529 298.9998 18.0943 45.1153 762471.1255 -8.4529 -8.2961 PRESSURE: 997000 -15.6024 -16.6179 161.007 -16.6181 150.303 -10.007 161.007 -10.0071 -147.4 GPRESSURE: 997000 11.5009 -212.551 117.206 -38.5859 222.153 -9.43052 138.758 16.8107 -156.173 PRESSAVG: 997000 -21.4659 -12.1869 -3.28182 -12.1869 47.7142 12.9483 -3.28188 12.9482 -13.6722 GPRESSAVG: 997000 -22.6897 -14.0695 -2.27495 -10.5719 49.7305 11.1686 -6.09256 12.1665 -13.784 TIMING: 997000 CPU: 3138.98, 0.00316146/step Wall: 3138.98, 0.00316146/step, 3.51536 hours remaining, 237.175781 MB of memory in use. ENERGY: 997000 3943.8677 20416.2949 14519.3845 248.7274 -203485.3554 2758.0436 0.0000 0.0000 52037.4510 -109561.5863 299.0599 -161599.0373 -109200.4279 298.5124 -4.2333 25.8272 761291.9618 4.1920 4.4189 PRESSURE: 997200 -175.26 -92.9594 -12.3577 -92.9596 101.688 -97.4882 -12.3574 -97.4888 211.115 GPRESSURE: 997200 -140.139 -24.0223 -74.1314 -136.071 130.615 -60.0253 49.6851 -98.2514 253.176 PRESSAVG: 997200 -91.6099 -15.0232 -30.0045 -15.0232 82.2798 9.70185 -30.0046 9.70191 2.1 GPRESSAVG: 997200 -89.8816 -14.8629 -28.2832 -15.8137 81.3786 9.26073 -29.2495 9.56185 1.20367 TIMING: 997200 CPU: 3139.61, 0.00315135/step Wall: 3139.61, 0.00315135/step, 3.50395 hours remaining, 237.175781 MB of memory in use. ENERGY: 997200 4003.3876 20399.4188 14424.8752 240.6180 -203068.9070 2350.4744 0.0000 0.0000 51925.3165 -109724.8166 298.4155 -161650.1331 -109363.7255 299.1413 45.8478 81.2174 759991.7663 -2.4100 -2.4331 PRESSURE: 997400 64.7576 -203.77 54.9972 -203.769 419.969 -101.026 54.9966 -101.027 -155.697 GPRESSURE: 997400 92.2917 -23.9359 139.267 -257.142 424.179 -173.489 39.6831 -58.1749 -85.7526 PRESSAVG: 997400 -47.0392 -88.9526 18.7912 -88.9527 32.7371 -5.01549 18.7911 -5.01545 -20.5645 GPRESSAVG: 997400 -46.8408 -89.1661 18.568 -88.9193 30.8643 -6.59941 21.1834 -2.03545 -18.544 TIMING: 997400 CPU: 3140.24, 0.00315304/step Wall: 3140.24, 0.00315304/step, 3.50566 hours remaining, 237.175781 MB of memory in use. ENERGY: 997400 4006.8811 20474.2950 14504.9144 229.5478 -203415.7229 2641.5139 0.0000 0.0000 51882.9914 -109675.5792 298.1723 -161558.5707 -109316.3351 298.4588 109.6765 143.5726 760290.4754 -11.6222 -11.5068 PRESSURE: 997600 121.393 43.8687 80.4191 43.8688 181.291 220.1 80.4193 220.099 244.172 GPRESSURE: 997600 179.784 27.9051 47.5 176.318 207.325 120.197 24.0234 134.769 238.252 PRESSAVG: 997600 17.1911 -59.6629 16.1498 -59.6629 -51.2356 -9.94766 16.1498 -9.94764 4.04834 GPRESSAVG: 997600 17.5282 -60.886 15.073 -59.5113 -49.3188 -9.41861 12.8331 -13.2302 1.36506 TIMING: 997600 CPU: 3140.87, 0.00315818/step Wall: 3140.87, 0.00315818/step, 3.51119 hours remaining, 237.175781 MB of memory in use. ENERGY: 997600 4008.7636 20551.8986 14545.9828 251.8012 -203615.8211 2641.8035 0.0000 0.0000 51929.5746 -109685.9967 298.4400 -161615.5713 -109329.5471 298.2982 182.2854 208.4536 761045.7666 -9.9987 -10.1419 PRESSURE: 997800 163.373 -201.704 44.3378 -201.704 33.5323 17.5167 44.3379 17.5169 -258.361 GPRESSURE: 997800 113.478 -149.604 37.5406 -110.252 55.5336 56.8504 -76.473 58.3077 -137.848 PRESSAVG: 997800 -20.7141 -78.5815 -13.3641 -78.5815 -21.1154 39.6225 -13.3642 39.6225 29.9556 GPRESSAVG: 997800 -20.1017 -75.8525 -12.2749 -77.7282 -22.3077 41.2251 -13.8854 38.5932 30.6025 TIMING: 997800 CPU: 3141.51, 0.00316749/step Wall: 3141.51, 0.00316749/step, 3.52137 hours remaining, 237.175781 MB of memory in use. ENERGY: 997800 4000.4284 20396.2532 14516.6394 259.0608 -203554.7045 2791.8275 0.0000 0.0000 52067.7925 -109522.7027 299.2343 -161590.4952 -109151.8318 299.0343 -20.4853 10.3878 759746.5381 -3.9579 -3.9356 PRESSURE: 998000 -215.319 -133.101 70.118 -133.102 -254.401 119.62 70.1189 119.62 266.431 GPRESSURE: 998000 -51.7881 -97.8791 133.136 -89.6946 -263.39 92.4871 49.7692 166.734 195.265 PRESSAVG: 998000 -19.6264 -60.9974 -3.08983 -60.9975 54.5602 25.7812 -3.08986 25.7811 -2.22777 GPRESSAVG: 998000 -19.0289 -63.0729 -3.80224 -61.29 53.2261 25.2759 -4.08381 30.1488 -1.60581 TIMING: 998000 CPU: 3142.14, 0.00316759/step Wall: 3142.14, 0.00316758/step, 3.5213 hours remaining, 237.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 998000 4023.6411 20553.9955 14475.6586 243.0319 -203723.2738 2856.2671 0.0000 0.0000 51997.7248 -109572.9548 298.8316 -161570.6796 -109217.0608 299.5395 -67.7629 -39.9709 761820.1775 10.9020 10.8638 PRESSURE: 998200 -15.233 -243.202 34.6464 -243.202 61.6232 223.135 34.6465 223.136 385.873 GPRESSURE: 998200 -25.1993 -294.639 -17.7735 -210.061 129.267 206.988 -12.4725 135.366 397.981 PRESSAVG: 998200 -28.7479 -33.786 32.0824 -33.786 -14.836 -45.3 32.0824 -45.3001 3.96877 GPRESSAVG: 998200 -29.9729 -32.2389 31.1264 -35.1094 -14.3371 -45.1405 33.7728 -46.7203 4.82725 TIMING: 998200 CPU: 3142.77, 0.00315/step Wall: 3142.77, 0.00315/step, 3.50157 hours remaining, 237.175781 MB of memory in use. ENERGY: 998200 3965.1862 20645.6621 14519.5679 251.3332 -203976.8024 2915.3387 0.0000 0.0000 52225.7742 -109453.9401 300.1422 -161679.7143 -109093.0490 299.1965 144.0876 167.3497 761401.2695 -13.2050 -13.1609 PRESSURE: 998400 -157.091 -161.19 -167.288 -161.191 63.5749 -3.51531 -167.288 -3.51563 -201.8 GPRESSURE: 998400 -134.582 -127.787 -114.316 -72.2018 96.7639 -61.0818 -92.6038 -1.72246 -192.6 PRESSAVG: 998400 -12.2471 -2.54413 -21.6045 -2.54418 -6.61112 97.1486 -21.6045 97.1486 -19.2484 GPRESSAVG: 998400 -12.8064 -3.49774 -20.5061 -0.414539 -5.18424 95.9597 -20.1448 95.9474 -20.259 TIMING: 998400 CPU: 3143.4, 0.00316079/step Wall: 3143.4, 0.00316079/step, 3.51339 hours remaining, 237.175781 MB of memory in use. ENERGY: 998400 4047.9641 20601.2856 14563.2310 263.9236 -203408.5249 2461.8856 0.0000 0.0000 52211.1243 -109259.1108 300.0580 -161470.2351 -108903.0849 299.7945 -98.4388 -76.8058 760688.2645 -12.7022 -12.7499 PRESSURE: 998600 -236.851 -15.6992 66.622 -15.6998 -106.045 121.558 66.6214 121.559 108.37 GPRESSURE: 998600 -205.033 -104.238 23.4479 -6.74337 -30.7226 124.499 20.387 43.6977 73.9453 PRESSAVG: 998600 -20.5426 -17.8753 -31.0514 -17.8753 11.0637 49.6427 -31.0514 49.6426 32.4631 GPRESSAVG: 998600 -19.4067 -18.2072 -31.1265 -18.2051 10.8284 51.3046 -31.7326 48.654 31.0926 TIMING: 998600 CPU: 3144.03, 0.00316512/step Wall: 3144.03, 0.00316512/step, 3.51804 hours remaining, 237.175781 MB of memory in use. ENERGY: 998600 4033.4438 20416.6682 14504.8886 246.3802 -202993.3343 2321.6040 0.0000 0.0000 52212.1875 -109258.1620 300.0642 -161470.3495 -108890.8568 300.0934 -78.1757 -53.9367 759635.8964 7.6614 7.5048 PRESSURE: 998800 -366.521 -145.22 75.1723 -145.22 118.259 -217.69 75.1721 -217.69 -439.45 GPRESSURE: 998800 -333.987 -42.4726 77.1542 -219.537 133.992 -199.995 5.95129 -154.86 -416.525 PRESSAVG: 998800 -35.1446 -48.3077 -6.61335 -48.3077 33.367 73.1017 -6.61336 73.1017 5.81209 GPRESSAVG: 998800 -36.0983 -47.542 -7.54614 -49.1294 32.6133 73.3115 -7.38345 74.3996 7.2674 TIMING: 998800 CPU: 3144.67, 0.00317181/step Wall: 3144.67, 0.00317181/step, 3.52529 hours remaining, 237.175781 MB of memory in use. ENERGY: 998800 4059.9845 20510.3934 14561.9668 259.6783 -203136.2545 2579.9484 0.0000 0.0000 52009.9205 -109154.3626 298.9017 -161164.2831 -108802.0257 300.0321 -229.2378 -205.5064 760731.3831 1.3448 1.2608 PRESSURE: 999000 -98.8768 24.6429 10.2728 24.642 115.1 112.694 10.2726 112.694 203.036 GPRESSURE: 999000 -69.8932 83.3483 -53.1033 34.1877 86.795 95.4676 -130.357 44.9245 286.55 PRESSAVG: 999000 -36.3826 14.3191 -6.7049 14.3191 81.0865 -4.84641 -6.70492 -4.84641 -12.981 GPRESSAVG: 999000 -36.0981 14.8995 -6.30091 14.486 81.2365 -3.70152 -7.60024 -7.17565 -13.2301 TIMING: 999000 CPU: 3145.3, 0.00315091/step Wall: 3145.3, 0.00315091/step, 3.50189 hours remaining, 237.175781 MB of memory in use. ENERGY: 999000 3939.3274 20431.3672 14540.4249 253.5274 -203206.5948 2479.3585 0.0000 0.0000 52214.6543 -109347.9350 300.0783 -161562.5893 -108982.0649 299.8480 73.0864 101.1506 761069.0092 10.5743 10.6361 PRESSURE: 999200 94.5 7.90039 19.7688 7.90011 -261.767 -143.806 19.7677 -143.805 20.3622 GPRESSURE: 999200 74.1085 114.552 103.238 32.3786 -238.993 -85.5554 90.3982 -142.666 77.2304 PRESSAVG: 999200 -55.8512 18.5938 10.0897 18.5938 79.6391 21.9725 10.0897 21.9726 3.62833 GPRESSAVG: 999200 -56.1026 17.9917 10.0262 17.3001 78.836 22.7077 11.2535 23.9553 4.14969 TIMING: 999200 CPU: 3145.93, 0.00313849/step Wall: 3145.93, 0.00313849/step, 3.48791 hours remaining, 237.175781 MB of memory in use. ENERGY: 999200 3976.8479 20547.8104 14516.8064 242.7960 -202991.4110 2287.8853 0.0000 0.0000 51944.2501 -109475.0149 298.5243 -161419.2650 -109120.5091 299.0338 -48.9683 -29.2181 761683.1383 9.1387 8.9610 PRESSURE: 999400 80.8436 39.7898 55.0275 39.7897 265.925 140.339 55.0277 140.339 526.232 GPRESSURE: 999400 140.698 50.1318 51.0329 72.3617 313.901 261.201 143.359 124.149 520.088 PRESSAVG: 999400 -19.4345 -25.2105 12.7035 -25.2105 -28.2343 -19.1867 12.7035 -19.1867 -2.00469 GPRESSAVG: 999400 -20.3711 -23.7686 12.0184 -23.44 -26.7319 -21.1189 13.5306 -18.9574 -2.32448 TIMING: 999400 CPU: 3146.56, 0.00314632/step Wall: 3146.56, 0.00314632/step, 3.49644 hours remaining, 237.175781 MB of memory in use. ENERGY: 999400 4041.1434 20467.8884 14523.1215 251.7505 -203600.0325 2849.5406 0.0000 0.0000 52140.8904 -109325.6976 299.6544 -161466.5880 -108979.9713 299.5786 291.0000 324.8961 759557.6208 -16.5579 -16.4758 PRESSURE: 999600 -574.101 -257.957 123.551 -257.957 -73.9607 -322.468 123.552 -322.467 -424.83 GPRESSURE: 999600 -501.484 -261.83 126.41 -251.624 -57.7495 -222.758 -45.8001 -362.939 -437.003 PRESSAVG: 999600 -21.0762 -62.4525 79.9774 -62.4525 26.4104 33.9746 79.9775 33.9746 -1.69121 GPRESSAVG: 999600 -20.8388 -62.9014 82.0705 -62.1707 25.7564 34.7534 77.308 34.0791 -1.68451 TIMING: 999600 CPU: 3147.19, 0.00315583/step Wall: 3147.19, 0.00315583/step, 3.50683 hours remaining, 237.175781 MB of memory in use. ENERGY: 999600 4048.2951 20564.2987 14537.6482 234.4268 -202970.2647 2310.5433 0.0000 0.0000 52120.8664 -109154.1862 299.5393 -161275.0526 -108797.4050 299.9058 -357.6306 -332.0787 762513.0220 1.2143 1.0777 PRESSURE: 999800 -266.212 -105.346 120.967 -105.346 18.1749 -84.4594 120.967 -84.4586 -176.877 GPRESSURE: 999800 -210.084 -86.2754 141.325 -101.811 49.5067 -158.601 185.623 -35.913 -173.747 PRESSAVG: 999800 -40.1317 -19.9677 7.55546 -19.9677 65.7587 10.8152 7.5554 10.8152 9.89658 GPRESSAVG: 999800 -40.8468 -19.0056 5.48325 -21.6168 66.511 10.0092 10.0476 8.58507 9.61541 TIMING: 999800 CPU: 3147.82, 0.00315831/step Wall: 3147.82, 0.00315831/step, 3.50941 hours remaining, 237.175781 MB of memory in use. ENERGY: 999800 3878.1854 20507.4223 14545.6755 251.8552 -202664.6029 2209.5867 0.0000 0.0000 52254.5131 -109017.3647 300.3074 -161271.8778 -108654.4276 300.3826 -141.6379 -111.4415 761091.7112 11.8412 11.7599 PRESSURE: 1000000 11.94 -137.122 -54.9854 -137.121 -172.882 -11.6284 -54.9851 -11.6288 48.857 GPRESSURE: 1000000 42.4764 -98.5987 -106.869 -31.1459 -99.169 181.44 48.7316 123.342 35.5231 PRESSAVG: 1000000 15.8755 11.2478 23.8351 11.2478 -3.41826 -7.17989 23.8351 -7.1799 -7.11033 GPRESSAVG: 1000000 16.5678 9.63311 22.8707 13.7465 -3.93026 -5.86381 24.4647 -3.81138 -6.77007 TIMING: 1000000 CPU: 3148.45, 0.00315503/step Wall: 3148.45, 0.00315503/step, 3.50559 hours remaining, 237.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1000000 3935.5605 20564.1478 14499.3232 250.6797 -203402.6121 2582.6161 0.0000 0.0000 52441.8675 -109128.4173 301.3841 -161570.2848 -108754.0881 300.6020 -37.3616 -7.0565 760719.9821 1.7823 1.9558 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.013 seconds, 237.176 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 102.555 21.9126 -191.664 21.9128 331.434 103.437 -191.663 103.436 226.027 GPRESSURE: 1000200 168.092 16.0862 -193.735 57.2121 368.866 -24.9031 -61.7447 199.054 221.793 PRESSAVG: 1000200 -11.1235 -10.0074 -7.09861 -10.0073 28.1072 36.5067 -7.09859 36.5066 30.6833 GPRESSAVG: 1000200 -11.631 -8.60621 -5.0233 -9.93678 28.4394 35.5 -6.99048 35.5525 31.48 TIMING: 1000200 CPU: 3149.1, 0.00323658/step Wall: 3149.1, 0.00323658/step, 3.59602 hours remaining, 237.175781 MB of memory in use. ENERGY: 1000200 3944.2759 20690.8134 14602.4211 235.7886 -203573.1784 2741.1395 0.0000 0.0000 52260.2521 -109098.4877 300.3404 -161358.7398 -108747.9092 300.4916 220.0055 252.9171 761302.5446 15.8890 16.0961 LDB: ============= START OF LOAD BALANCING ============== 3161.5 LDB: ============== END OF LOAD BALANCING =============== 3161.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3161.5 LDB: ============= START OF LOAD BALANCING ============== 3161.81 LDB: Largest compute 7026 load 0.034702 is 17.7% of average load 0.195900 LDB: Average compute 0.004373 is 2.2% of average load 0.195900 LDB: TIME 3161.82 LOAD: AVG 0.1959 MAX 0.214392 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.238 MB LDB: TIME 3161.82 LOAD: AVG 0.1959 MAX 0.214392 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.238 MB LDB: TIME 3161.82 LOAD: AVG 0.1959 MAX 0.214392 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.238 MB LDB: ============== END OF LOAD BALANCING =============== 3161.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3161.82 PRESSURE: 1000400 192.344 -32.9298 -1.78019 -32.93 215.7 90.911 -1.77998 90.9109 158.809 GPRESSURE: 1000400 236.279 -154.997 -87.6832 127.076 235.281 73.8201 -63.642 95.0332 164.898 PRESSAVG: 1000400 -34.0999 -1.06741 -26.6698 -1.06738 7.59974 -23.186 -26.6699 -23.1861 -11.4485 GPRESSAVG: 1000400 -32.4214 -3.07847 -28.0627 -2.59669 8.01912 -21.65 -26.7732 -24.2585 -13.0207 TIMING: 1000400 CPU: 3149.74, 0.00321905/step Wall: 3149.74, 0.00321905/step, 3.57637 hours remaining, 236.527344 MB of memory in use. ENERGY: 1000400 3910.7137 20528.8389 14501.7167 257.4441 -203382.6589 2805.7448 0.0000 0.0000 52365.6212 -109012.5797 300.9459 -161378.2008 -108652.9779 300.2339 188.9508 212.1530 762724.0046 -12.6495 -12.4743 PRESSURE: 1000600 -118.787 31.2505 -196.043 31.2511 -143.261 -118.191 -196.043 -118.191 1.29293 GPRESSURE: 1000600 -66.8205 13.2749 -134.305 174.871 -116.94 -59.0874 -72.0273 -29.9383 14.1784 PRESSAVG: 1000600 -37.8908 -51.7664 -38.6614 -51.7664 44.8122 -32.1611 -38.6614 -32.161 13.7389 GPRESSAVG: 1000600 -38.2174 -51.2242 -37.5672 -50.5087 43.5734 -33.837 -39.2821 -30.8913 15.158 TIMING: 1000600 CPU: 3150.37, 0.00316743/step Wall: 3150.37, 0.00316743/step, 3.51884 hours remaining, 236.730469 MB of memory in use. ENERGY: 1000600 4081.5107 20767.8932 14564.7711 267.0104 -203495.4827 2661.9510 0.0000 0.0000 52094.6637 -109057.6826 299.3887 -161152.3463 -108698.8639 300.6218 -86.9183 -56.5273 762153.2934 6.8868 6.8380 PRESSURE: 1000800 -107.122 8.95347 86.828 8.95329 -431.155 -77.383 86.827 -77.3836 390.732 GPRESSURE: 1000800 -153.344 -45.397 63.0887 75.6596 -270.242 69.614 105.978 51.5709 374.646 PRESSAVG: 1000800 23.4286 42.8265 -4.20079 42.8266 -30.2223 11.4894 -4.20077 11.4895 8.05122 GPRESSAVG: 1000800 23.6665 43.6584 -4.3226 43.2461 -29.0072 12.4639 -5.56 11.7151 6.44968 TIMING: 1000800 CPU: 3151.01, 0.00315486/step Wall: 3151.01, 0.00315486/step, 3.50469 hours remaining, 236.730469 MB of memory in use. ENERGY: 1000800 3983.6558 20480.7676 14600.8202 243.7174 -203149.3347 2425.8208 0.0000 0.0000 52122.7992 -109291.7538 299.5504 -161414.5530 -108924.9940 300.0059 -49.1818 -16.3134 762927.0050 0.4192 0.3697 PRESSURE: 1001000 433.433 -147.225 175.82 -147.225 -88.1604 129.712 175.82 129.712 258.098 GPRESSURE: 1001000 419.481 -93.2715 216.133 -112.127 -13.7156 83.5049 46.6519 65.5367 282.483 PRESSAVG: 1001000 -7.46266 -1.31551 2.86006 -1.31548 -56.4285 -15.7652 2.86002 -15.7653 27.6471 GPRESSAVG: 1001000 -9.14021 -2.18043 2.02045 -2.12283 -56.5231 -15.4399 4.31939 -16.4973 29.1112 TIMING: 1001000 CPU: 3151.63, 0.00314055/step Wall: 3151.63, 0.00314055/step, 3.48863 hours remaining, 236.730469 MB of memory in use. ENERGY: 1001000 3958.5501 20542.6720 14594.2868 250.9567 -203702.1511 2997.9540 0.0000 0.0000 52185.3554 -109172.3761 299.9100 -161357.7315 -108818.1912 299.8987 201.1235 229.4162 760836.3576 -12.0814 -12.1841 PRESSURE: 1001200 128.626 -109.06 -126.769 -109.061 84.8553 -179.914 -126.768 -179.913 66.3457 GPRESSURE: 1001200 173.956 -85.5744 -117.51 -86.279 38.9941 -122.568 -119.638 -174.844 142.065 PRESSAVG: 1001200 -35.8389 -9.83025 -9.35253 -9.83025 5.30935 -58.6075 -9.35251 -58.6074 -17.5763 GPRESSAVG: 1001200 -35.3617 -10.774 -10.3154 -8.90383 5.05137 -60.7053 -9.04559 -58.9603 -18.3688 TIMING: 1001200 CPU: 3152.26, 0.00314701/step Wall: 3152.26, 0.00314701/step, 3.49563 hours remaining, 236.730469 MB of memory in use. ENERGY: 1001200 3876.7563 20559.0180 14578.8336 251.8715 -203007.3830 2551.0957 0.0000 0.0000 51982.2552 -109207.5527 298.7427 -161189.8079 -108851.9139 299.8162 93.2756 118.3384 763362.7558 -16.0353 -16.2264 PRESSURE: 1001400 -330.04 -122.231 -123.202 -122.231 -261.187 -233.873 -123.202 -233.872 -516.408 GPRESSURE: 1001400 -292.87 -150.003 -108.387 -169.033 -294.219 -207.192 -83.5045 -262.259 -438.546 PRESSAVG: 1001400 5.83496 -5.80429 11.487 -5.80432 28.092 -60.1969 11.4869 -60.1968 16.3568 GPRESSAVG: 1001400 7.16956 -4.40048 15.0971 -7.05054 26.4952 -57.0431 10.1061 -62.1759 16.5233 TIMING: 1001400 CPU: 3152.89, 0.00314773/step Wall: 3152.89, 0.00314773/step, 3.49625 hours remaining, 236.730469 MB of memory in use. ENERGY: 1001400 4024.4149 20641.4359 14466.3507 243.3013 -203277.1241 2511.7881 0.0000 0.0000 52248.5866 -109141.2468 300.2733 -161389.8333 -108781.7886 299.8113 -369.2119 -341.8781 762665.4814 16.7612 16.7293 PRESSURE: 1001600 464.594 38.6686 -157.01 38.6688 -128.478 -53.5818 -157.01 -53.5821 -94.4364 GPRESSURE: 1001600 347.898 45.869 -128.346 39.9559 45.6012 -0.824096 -170.681 67.7614 -72.7334 PRESSAVG: 1001600 -19.302 -66.3465 -30.4876 -66.3465 -3.06801 -60.3568 -30.4876 -60.3567 10.0367 GPRESSAVG: 1001600 -20.8717 -65.7934 -31.7756 -63.9758 -0.841237 -60.8637 -29.0426 -57.1734 9.70052 TIMING: 1001600 CPU: 3153.52, 0.00315545/step Wall: 3153.52, 0.00315545/step, 3.50466 hours remaining, 236.730469 MB of memory in use. ENERGY: 1001600 3943.1347 20610.1699 14556.9010 242.7598 -203429.3646 2639.9457 0.0000 0.0000 52260.6416 -109175.8121 300.3426 -161436.4537 -108821.6782 300.2936 80.5597 106.9218 759849.6911 -4.1111 -4.0041 PRESSURE: 1001800 136.543 -203.668 87.4391 -203.668 233.432 8.27782 87.4401 8.27791 344.516 GPRESSURE: 1001800 115.043 -258.905 148.043 -157.665 333.833 -42.8133 -100.534 130.573 359.529 PRESSAVG: 1001800 30.3511 -89.0399 0.140051 -89.04 -10.1218 -10.1183 0.140105 -10.1183 -16.1484 GPRESSAVG: 1001800 31.4109 -89.1093 -1.25144 -91.7353 -9.83935 -10.8382 1.36385 -9.36011 -16.6708 TIMING: 1001800 CPU: 3154.16, 0.00316024/step Wall: 3154.16, 0.00316024/step, 3.5098 hours remaining, 236.730469 MB of memory in use. ENERGY: 1001800 3981.3673 20314.0346 14594.6971 252.4047 -203663.7995 2917.4914 0.0000 0.0000 52389.3918 -109214.4125 301.0826 -161603.8044 -108847.0464 300.3468 238.1637 269.4684 760941.6271 1.3603 1.6336 PRESSURE: 1002000 -100.429 -105.952 -45.2038 -105.951 54.9382 -83.1201 -45.2042 -83.1191 -391.585 GPRESSURE: 1002000 -14.4595 -47.4434 21.8167 -160.171 70.029 -49.3059 -68.2046 -68.8712 -414.864 PRESSAVG: 1002000 -11.8665 -55.664 -22.0449 -55.6639 29.9143 -33.7146 -22.0449 -33.7146 -3.85497 GPRESSAVG: 1002000 -12.2285 -53.6317 -19.892 -55.6682 29.0582 -32.5848 -24.3713 -35.5977 -3.31278 TIMING: 1002000 CPU: 3154.79, 0.00314751/step Wall: 3154.79, 0.00314751/step, 3.49549 hours remaining, 236.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1002000 4084.1678 20467.0311 14505.0928 255.8239 -203855.0809 2772.7029 0.0000 0.0000 52306.2718 -109463.9905 300.6049 -161770.2623 -109100.0145 299.7223 -145.6921 -119.7649 761878.9287 4.7309 4.5056 PRESSURE: 1002200 -231.818 31.1429 -71.554 31.1422 50.5925 201.074 -71.5544 201.075 -148.712 GPRESSURE: 1002200 -121.299 3.82219 -84.5649 121.256 42.887 273.376 -126.353 67.7861 -174.961 PRESSAVG: 1002200 18.7233 -40.6907 8.50847 -40.6907 35.3922 -57.9925 8.50838 -57.9925 1.0977 GPRESSAVG: 1002200 18.0472 -41.2896 7.94452 -40.2639 35.3578 -59.9313 10.3608 -58.4027 1.62233 TIMING: 1002200 CPU: 3155.42, 0.00316578/step Wall: 3155.42, 0.00316578/step, 3.5156 hours remaining, 236.730469 MB of memory in use. ENERGY: 1002200 4003.6409 20420.7061 14469.1655 256.7365 -203430.7609 2483.2064 0.0000 0.0000 52370.5712 -109426.7343 300.9744 -161797.3055 -109057.1488 299.0840 -109.9791 -84.4577 761993.8679 18.4044 18.3425 PRESSURE: 1002400 -211.614 -204.363 -150.041 -204.362 237.184 -62.259 -150.04 -62.2594 -101.726 GPRESSURE: 1002400 -100.935 -179.272 -46.6393 -268.831 271.659 -13.8508 -40.3231 68.2679 -137.145 PRESSAVG: 1002400 12.349 -35.4047 26.3936 -35.4047 -17.5585 -32.4629 26.3936 -32.4629 -11.2376 GPRESSAVG: 1002400 13.9644 -37.8265 27.028 -34.6261 -17.8307 -30.4323 25.7133 -31.1601 -12.1803 TIMING: 1002400 CPU: 3156.05, 0.00315351/step Wall: 3156.05, 0.00315351/step, 3.5018 hours remaining, 236.730469 MB of memory in use. ENERGY: 1002400 3931.8958 20490.4085 14471.2283 251.5766 -203188.6465 2596.7154 0.0000 0.0000 52126.6243 -109320.1975 299.5724 -161446.8219 -108957.8577 299.4888 -25.3855 11.1928 762436.1815 -5.4824 -5.3489 PRESSURE: 1002600 -153.364 -96.2106 -28.9385 -96.2096 -73.1934 -331.609 -28.9387 -331.61 228.307 GPRESSURE: 1002600 -28.8274 -12.2823 38.9317 28.8663 -93.9825 -323.998 -74.4886 -147.284 192.814 PRESSAVG: 1002600 -54.6013 -18.3698 18.964 -18.3698 31.7137 -41.1927 18.9639 -41.1927 33.6577 GPRESSAVG: 1002600 -54.8923 -17.5626 19.9009 -17.7979 30.9825 -44.6681 17.3256 -40.1105 34.5338 TIMING: 1002600 CPU: 3156.68, 0.00316772/step Wall: 3156.68, 0.00316772/step, 3.5174 hours remaining, 236.730469 MB of memory in use. ENERGY: 1002600 4008.4422 20525.1835 14461.8039 245.9521 -202962.3442 2428.0784 0.0000 0.0000 51969.0594 -109323.8248 298.6669 -161292.8841 -108960.7507 299.1366 0.5834 23.3348 762911.1393 3.5900 3.5413 PRESSURE: 1002800 -219.793 -165.884 136.027 -165.884 281.333 -92.5934 136.028 -92.5941 118.108 GPRESSURE: 1002800 -132.008 -157.858 95.4052 -198.608 243.798 -90.7923 158.68 -61.7695 158.602 PRESSAVG: 1002800 -71.8226 -32.9442 46.2881 -32.9442 40.7448 -71.8716 46.2881 -71.8716 -4.30109 GPRESSAVG: 1002800 -70.9289 -32.5481 45.1556 -34.0337 40.2862 -70.3342 46.8331 -74.5484 -4.48639 TIMING: 1002800 CPU: 3157.32, 0.00316376/step Wall: 3157.32, 0.00316376/step, 3.51283 hours remaining, 236.730469 MB of memory in use. ENERGY: 1002800 3958.7979 20520.5110 14509.1746 247.3699 -203323.2954 2747.2773 0.0000 0.0000 51749.4322 -109590.7323 297.4047 -161340.1646 -109241.9731 299.1925 59.8829 90.1306 762339.1017 -11.7930 -11.7097 PRESSURE: 1003000 24.7933 100.423 -49.9238 100.424 -128.573 27.1941 -49.9245 27.1949 234.382 GPRESSURE: 1003000 -22.9565 108.583 -82.5136 122.048 -20.7905 82.4049 -64.9892 20.8306 232.357 PRESSAVG: 1003000 -10.388 -30.0015 21.8515 -30.0015 46.5852 7.37205 21.8514 7.37205 4.02161 GPRESSAVG: 1003000 -11.5573 -30.0498 22.5098 -29.9674 47.3651 8.02385 21.9777 6.4292 4.27981 TIMING: 1003000 CPU: 3157.95, 0.00316589/step Wall: 3157.95, 0.00316589/step, 3.51501 hours remaining, 236.730469 MB of memory in use. ENERGY: 1003000 3990.4844 20544.1138 14528.8619 245.0858 -203204.0021 2465.4853 0.0000 0.0000 51880.7104 -109549.2605 298.1592 -161429.9709 -109190.6047 298.7966 43.5340 62.8700 761137.7977 13.4063 13.3625 PRESSURE: 1003200 -424.079 -62.1408 -46.83 -62.1402 -99.8696 16.7537 -46.8302 16.755 -505.819 GPRESSURE: 1003200 -334.569 -95.7446 -52.2338 -12.5098 -31.8022 26.8777 -118.281 134.546 -578.318 PRESSAVG: 1003200 40.5751 -25.3677 60.0463 -25.3678 -39.2068 54.1791 60.0462 54.1792 -18.225 GPRESSAVG: 1003200 40.7059 -23.5416 57.491 -25.3143 -38.1795 53.8633 58.8566 56.9307 -19.0768 TIMING: 1003200 CPU: 3158.58, 0.00315618/step Wall: 3158.58, 0.00315618/step, 3.50406 hours remaining, 236.730469 MB of memory in use. ENERGY: 1003200 4031.4830 20475.1500 14519.1388 226.9005 -202922.1486 2337.5893 0.0000 0.0000 51578.4683 -109753.4188 296.4222 -161331.8871 -109394.8201 298.8684 -343.2559 -314.8964 763827.1610 -5.6189 -5.5168 PRESSURE: 1003400 -316.336 95.534 25.0778 95.5337 -42.5742 39.8039 25.0782 39.8048 -49.1479 GPRESSURE: 1003400 -257.462 225.326 142.446 55.9801 -23.3455 -38.1607 91.2839 -26.0568 -30.2339 PRESSAVG: 1003400 9.50719 23.9257 -21.9839 23.9257 -14.4336 54.4814 -21.9839 54.4813 -22.7494 GPRESSAVG: 1003400 9.28588 22.6781 -21.3136 24.3784 -14.9874 55.5901 -17.1604 54.0133 -21.0659 TIMING: 1003400 CPU: 3159.21, 0.00316521/step Wall: 3159.21, 0.00316521/step, 3.51392 hours remaining, 236.730469 MB of memory in use. ENERGY: 1003400 4026.0373 20553.9771 14464.6506 232.9163 -203216.6253 2364.5199 0.0000 0.0000 51844.8086 -109729.7154 297.9528 -161574.5241 -109369.7631 298.3458 -136.0192 -103.6806 761123.4142 -9.2252 -8.9225 PRESSURE: 1003600 36.3304 -252.044 62.9357 -252.045 110.515 -66.9028 62.9355 -66.9022 -167.219 GPRESSURE: 1003600 32.0619 -80.1071 150.64 -182.006 171.526 8.09607 119.171 34.2871 -144.395 PRESSAVG: 1003600 -10.7182 -42.2691 12.1357 -42.2691 -12.6832 48.0718 12.1357 48.0717 -8.35316 GPRESSAVG: 1003600 -9.9846 -43.5051 11.5043 -42.327 -12.2386 47.9234 9.36815 46.4288 -9.57521 TIMING: 1003600 CPU: 3159.85, 0.0031603/step Wall: 3159.85, 0.0031603/step, 3.50829 hours remaining, 236.730469 MB of memory in use. ENERGY: 1003600 3952.8915 20329.9222 14469.3845 233.9653 -203118.2428 2290.8873 0.0000 0.0000 52117.6057 -109723.5862 299.5206 -161841.1919 -109355.2985 299.1527 -6.7910 19.7310 759984.8677 -10.5849 -10.5995 PRESSURE: 1003800 45.0471 119.589 61.8292 119.589 -42.83 130.698 61.8286 130.699 -366.246 GPRESSURE: 1003800 -10.2853 99.4169 112.203 234.916 28.8403 98.9151 10.8427 253.25 -312.631 PRESSAVG: 1003800 -5.62167 4.18907 -24.8126 4.18898 16.5681 40.5192 -24.8126 40.5192 -26.6007 GPRESSAVG: 1003800 -6.05883 5.49388 -23.966 5.29586 16.3949 40.2853 -25.616 42.3486 -26.1892 TIMING: 1003800 CPU: 3160.48, 0.00316128/step Wall: 3160.48, 0.00316128/step, 3.50919 hours remaining, 236.730469 MB of memory in use. ENERGY: 1003800 4039.0867 20618.2992 14469.4589 243.9059 -203600.8976 2743.9107 0.0000 0.0000 52006.3288 -109479.9073 298.8811 -161486.2362 -109107.3260 299.2092 -121.3431 -98.0255 760122.2574 -5.2181 -5.2844 PRESSURE: 1004000 107.886 -0.281018 -35.0546 -0.280713 53.2687 -173.405 -35.055 -173.405 177.675 GPRESSURE: 1004000 178.759 28.5704 -109.294 8.45943 31.0627 -60.9149 47.5823 -282.872 210.473 PRESSAVG: 1004000 -51.7519 -20.8627 50.1091 -20.8627 50.0534 -44.3517 50.1091 -44.3517 3.12896 GPRESSAVG: 1004000 -52.0796 -21.3015 50.4331 -20.2166 50.3705 -44.2712 51.7839 -47.5596 3.0176 TIMING: 1004000 CPU: 3161.11, 0.0031649/step Wall: 3161.11, 0.0031649/step, 3.51304 hours remaining, 236.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1004000 3996.3471 20323.6699 14475.5280 253.3058 -203383.2304 2547.6136 0.0000 0.0000 52223.7428 -109563.0231 300.1306 -161786.7660 -109191.2365 299.3436 112.9431 140.0983 760508.5538 0.4768 0.4362 PRESSURE: 1004200 246.634 -210.618 117.139 -210.618 435.674 131.108 117.139 131.109 80.93 GPRESSURE: 1004200 223.85 -177.708 140.905 -113.72 445.753 117.227 60.4511 119.168 167.703 PRESSAVG: 1004200 -17.782 -20.3279 16.571 -20.328 35.1688 -26.7839 16.571 -26.7839 16.2773 GPRESSAVG: 1004200 -18.8742 -19.4848 16.8176 -21.4186 35.3022 -27.4294 13.9731 -25.2157 17.1813 TIMING: 1004200 CPU: 3161.74, 0.00316788/step Wall: 3161.74, 0.00316788/step, 3.51618 hours remaining, 236.730469 MB of memory in use. ENERGY: 1004200 3954.0701 20439.3527 14463.0845 248.0754 -204106.8578 2905.7670 0.0000 0.0000 52161.5683 -109934.9397 299.7733 -162096.5080 -109573.2220 298.8228 254.4128 279.1018 759348.2589 11.2214 11.2031 LDB: ============= START OF LOAD BALANCING ============== 3174.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3174.14 LDB: =============== DONE WITH MIGRATION ================ 3174.14 LDB: ============= START OF LOAD BALANCING ============== 3174.46 LDB: Largest compute 7044 load 0.032087 is 16.4% of average load 0.195907 LDB: Average compute 0.004363 is 2.2% of average load 0.195907 LDB: TIME 3174.46 LOAD: AVG 0.195907 MAX 0.216054 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.508 MB LDB: TIME 3174.46 LOAD: AVG 0.195907 MAX 0.216054 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.508 MB LDB: TIME 3174.46 LOAD: AVG 0.195907 MAX 0.216054 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.508 MB LDB: ============== END OF LOAD BALANCING =============== 3174.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3174.47 PRESSURE: 1004400 -136.374 240.356 52.9837 240.357 283.912 18.8657 52.9831 18.8659 -201.817 GPRESSURE: 1004400 -36.7356 157.148 30.0423 211.269 269.562 7.96442 16.2032 -37.9439 -190.212 PRESSAVG: 1004400 -114.37 -37.0735 36.6406 -37.0735 121.896 -37.5228 36.6405 -37.5228 -24.3184 GPRESSAVG: 1004400 -114.259 -38.5099 37.1274 -37.6279 121.801 -36.3037 37.9776 -38.0308 -25.0172 TIMING: 1004400 CPU: 3162.39, 0.00321697/step Wall: 3162.39, 0.00321697/step, 3.57048 hours remaining, 235.957031 MB of memory in use. ENERGY: 1004400 3952.4343 20500.0340 14519.2594 234.2263 -203468.3877 2451.7830 0.0000 0.0000 51839.6468 -109971.0039 297.9232 -161810.6507 -109616.7088 297.8858 -18.0932 14.2050 759834.6569 -5.5977 -5.8252 PRESSURE: 1004600 -136.149 37.3987 -312.36 37.3978 -596.755 92.0905 -312.36 92.09 -422.191 GPRESSURE: 1004600 -139.979 93.1698 -239.062 20.0925 -534.369 221.035 -369.806 189.219 -391.794 PRESSAVG: 1004600 19.9801 3.45713 51.4786 3.45725 6.41838 -3.67912 51.4786 -3.67919 14.1419 GPRESSAVG: 1004600 20.5613 5.15358 51.2727 4.33138 6.91091 -4.54825 51.3567 -1.26196 12.8084 TIMING: 1004600 CPU: 3163.02, 0.00314206/step Wall: 3163.02, 0.00314206/step, 3.48716 hours remaining, 236.199219 MB of memory in use. ENERGY: 1004600 3973.6866 20413.2155 14551.2470 233.3305 -203507.3721 2482.9689 0.0000 0.0000 51846.7616 -110006.1620 297.9641 -161852.9236 -109650.6171 298.4244 -385.0318 -355.3803 761789.6716 13.5135 13.4269 PRESSURE: 1004800 -41.7879 -28.0668 103.812 -28.066 -0.610994 -5.7864 103.813 -5.78713 -44.9724 GPRESSURE: 1004800 -11.7344 19.2858 98.462 -48.815 15.8471 -78.2443 172.32 -13.1919 6.17584 PRESSAVG: 1004800 -43.286 2.52209 41.4499 2.52215 -20.9869 16.5076 41.4499 16.5076 -8.52297 GPRESSAVG: 1004800 -43.2063 1.0484 41.7466 4.12546 -21.1853 15.4833 39.6906 16.8127 -8.11168 TIMING: 1004800 CPU: 3163.64, 0.00314095/step Wall: 3163.64, 0.00314095/step, 3.48576 hours remaining, 236.199219 MB of memory in use. ENERGY: 1004800 4033.7995 20525.6220 14497.2214 245.7036 -203748.8401 2525.9658 0.0000 0.0000 51956.4670 -109964.0609 298.5945 -161920.5278 -109624.0616 298.4671 -29.1238 3.4295 760512.5478 -24.2653 -24.1677 PRESSURE: 1005000 -183.082 -113.365 141.334 -113.364 -212.448 94.1329 141.333 94.132 309.751 GPRESSURE: 1005000 -130.658 -72.5951 37.136 -4.88731 -225.862 56.4593 185.844 -96.5068 358.999 PRESSAVG: 1005000 -22.5403 0.0794135 9.75212 0.0794354 4.62994 1.19332 9.75212 1.19335 0.57734 GPRESSAVG: 1005000 -22.9882 -0.0977541 8.70028 -0.770758 3.90099 2.22349 13.7663 -3.38838 2.2426 TIMING: 1005000 CPU: 3164.27, 0.00314782/step Wall: 3164.27, 0.00314782/step, 3.4932 hours remaining, 236.199219 MB of memory in use. ENERGY: 1005000 3908.2959 20402.3925 14548.0661 252.9793 -204026.8288 2762.6638 0.0000 0.0000 52172.7858 -109979.6456 299.8377 -162152.4313 -109614.0654 298.4501 -28.5929 0.8263 760990.7554 -5.7777 -5.6149 PRESSURE: 1005200 -160.516 -38.4948 6.99767 -38.4946 -201.251 24.934 6.99776 24.9348 -71.1379 GPRESSURE: 1005200 -98.0368 64.5087 48.3352 -12.0203 -148.924 -37.8353 -83.5614 71.8748 -131.701 PRESSAVG: 1005200 -43.9196 -0.0355104 -18.9805 -0.0354678 15.655 10.2358 -18.9805 10.2357 -11.5432 GPRESSAVG: 1005200 -43.2145 -0.5534 -18.8559 0.816503 16.2436 10.492 -23.5711 11.2819 -13.088 TIMING: 1005200 CPU: 3164.9, 0.00314745/step Wall: 3164.9, 0.00314745/step, 3.49261 hours remaining, 236.199219 MB of memory in use. ENERGY: 1005200 4047.8377 20584.4759 14489.6006 238.7558 -203987.7649 2798.5173 0.0000 0.0000 51884.8794 -109943.6982 298.1831 -161828.5776 -109592.0920 298.2550 -144.3016 -126.2205 762272.0343 -13.2693 -13.3530 PRESSURE: 1005400 414.441 188.923 -41.6208 188.923 66.7557 -40.3294 -41.6209 -40.3294 182.766 GPRESSURE: 1005400 441.756 159.388 20.0597 197.156 123.991 10.273 89.1817 -20.5654 174.253 PRESSAVG: 1005400 -12.8073 8.81735 51.4537 8.81734 58.7067 22.7611 51.4538 22.7612 -7.38595 GPRESSAVG: 1005400 -13.1789 8.1159 53.1788 8.30165 59.2116 22.038 52.0714 24.9246 -6.63475 TIMING: 1005400 CPU: 3165.53, 0.00314472/step Wall: 3165.53, 0.00314472/step, 3.48941 hours remaining, 236.199219 MB of memory in use. ENERGY: 1005400 3977.6816 20525.0632 14531.5934 241.6563 -203683.7271 2871.2979 0.0000 0.0000 51632.1919 -109904.2429 296.7309 -161536.4348 -109552.3527 298.4029 221.3208 246.6669 761363.6579 12.8378 13.1326 PRESSURE: 1005600 -473.385 204.736 15.0833 204.736 148.392 288.727 15.0838 288.727 175.707 GPRESSURE: 1005600 -405.581 96.0609 -8.08555 131.519 101.382 243.865 -10.0116 204.378 244.141 PRESSAVG: 1005600 -28.2805 -24.5977 14.7742 -24.5977 20.8076 -17.6616 14.7742 -17.6616 -15.5744 GPRESSAVG: 1005600 -28.1733 -24.3858 12.8406 -25.4114 19.8587 -17.8449 14.7561 -17.6736 -14.5424 TIMING: 1005600 CPU: 3166.16, 0.00313882/step Wall: 3166.16, 0.00313882/step, 3.48269 hours remaining, 236.199219 MB of memory in use. ENERGY: 1005600 4015.8940 20437.5881 14451.7573 222.9522 -203134.4054 2273.8787 0.0000 0.0000 51967.1523 -109765.1828 298.6559 -161732.3351 -109406.1422 298.4502 -49.7620 -20.0194 761370.5338 -7.6824 -7.6190 PRESSURE: 1005800 -23.7165 -97.8403 -121.122 -97.8405 108.585 4.81035 -121.121 4.80956 -386.283 GPRESSURE: 1005800 41.8882 -135.487 -59.1543 -142.72 81.9606 -57.2491 -73.9458 24.0559 -346.003 PRESSAVG: 1005800 -72.4331 -14.3707 33.6474 -14.3706 63.216 42.5266 33.6474 42.5265 9.66583 GPRESSAVG: 1005800 -71.3909 -13.2594 33.7395 -15.298 62.8586 42.982 34.2894 42.4658 9.00599 TIMING: 1005800 CPU: 3166.79, 0.00312929/step Wall: 3166.79, 0.00312929/step, 3.47194 hours remaining, 236.199219 MB of memory in use. ENERGY: 1005800 3965.8947 20440.0214 14478.4487 249.0471 -203426.0035 2599.2423 0.0000 0.0000 51906.5698 -109786.7795 298.3078 -161693.3493 -109424.5440 298.6020 -100.4714 -74.0515 761512.1311 0.1496 0.1579 PRESSURE: 1006000 116.742 73.7209 60.9397 73.7199 69.0609 87.0636 60.9399 87.0644 28.9703 GPRESSURE: 1006000 89.9625 36.518 -55.0496 -17.6667 99.6683 36.134 14.3487 154.564 94.1276 PRESSAVG: 1006000 -28.3621 -46.5383 -8.83965 -46.5384 14.944 30.4918 -8.83959 30.4918 -1.36763 GPRESSAVG: 1006000 -27.6838 -47.5692 -8.88053 -43.4702 14.3328 30.7886 -7.47425 30.007 -1.75712 TIMING: 1006000 CPU: 3167.42, 0.00314877/step Wall: 3167.42, 0.00314877/step, 3.49339 hours remaining, 236.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1006000 3908.6916 20538.6727 14495.1635 263.1641 -203557.7649 2611.5041 0.0000 0.0000 51948.6776 -109791.8913 298.5498 -161740.5689 -109428.5287 298.6554 71.5911 94.5861 761255.9474 -4.9286 -5.0360 PRESSURE: 1006200 -123.627 -163.406 -215.289 -163.406 -44.7869 -260.679 -215.288 -260.679 14.0097 GPRESSURE: 1006200 -114.181 -226.282 -147.154 -113.235 -74.3784 -218.587 -110.781 -302.803 120.098 PRESSAVG: 1006200 -20.5253 -14.5677 -10.6553 -14.5677 23.0744 9.14403 -10.6553 9.14402 2.45232 GPRESSAVG: 1006200 -21.703 -12.8996 -9.3168 -15.6286 22.9431 9.15604 -12.7016 10.8935 3.16044 TIMING: 1006200 CPU: 3168.05, 0.00316631/step Wall: 3168.05, 0.00316631/step, 3.51267 hours remaining, 236.199219 MB of memory in use. ENERGY: 1006200 3965.0184 20431.5769 14470.9633 249.3092 -203197.5424 2426.5060 0.0000 0.0000 51999.4838 -109654.6847 298.8417 -161654.1685 -109294.8671 298.8784 -51.4679 -22.8204 762354.2096 1.6671 1.4668 PRESSURE: 1006400 -285.083 -174.945 161.094 -174.944 -45.9969 -287.357 161.093 -287.357 -64.3809 GPRESSURE: 1006400 -360.472 -139.047 150.261 -97.989 102.226 -321.734 -2.30564 -273.449 -59.1714 PRESSAVG: 1006400 -37.2516 -34.6302 21.128 -34.6302 22.1486 -16.1392 21.128 -16.1392 19.2405 GPRESSAVG: 1006400 -36.9446 -34.4601 21.6057 -36.6476 23.0496 -15.1305 22.8956 -17.1489 18.0651 TIMING: 1006400 CPU: 3168.68, 0.00317559/step Wall: 3168.68, 0.0031756/step, 3.52279 hours remaining, 236.199219 MB of memory in use. ENERGY: 1006400 3989.2534 20508.1009 14478.0423 242.6709 -203392.7889 2544.7216 0.0000 0.0000 51944.2965 -109685.7033 298.5246 -161629.9998 -109327.1914 298.8474 -131.8204 -105.8056 761307.2267 1.3791 1.3900 PRESSURE: 1006600 -213.999 23.5114 19.2373 23.5116 48.8694 221.39 19.2375 221.389 99.5244 GPRESSURE: 1006600 -136.938 27.6189 -54.2757 140.703 85.676 175.314 108.682 133.997 77.2851 PRESSAVG: 1006600 -3.51674 -52.8554 -40.1993 -52.8554 10.8081 12.2597 -40.1994 12.2597 0.0174736 GPRESSAVG: 1006600 -2.73532 -53.3697 -41.6472 -50.918 9.7674 10.5665 -41.4504 11.3661 0.0715425 TIMING: 1006600 CPU: 3169.32, 0.00316797/step Wall: 3169.32, 0.00316797/step, 3.51416 hours remaining, 236.199219 MB of memory in use. ENERGY: 1006600 4021.6680 20438.6736 14434.2776 253.2768 -203281.2824 2510.9616 0.0000 0.0000 52079.5719 -109542.8528 299.3020 -161622.4247 -109180.0787 298.5964 -21.8683 8.6743 762174.0751 2.4363 2.3679 PRESSURE: 1006800 -411.492 -180.582 11.4507 -180.582 -1.08755 80.3259 11.45 80.3258 -95.471 GPRESSURE: 1006800 -405.2 -29.4472 64.9008 -252.832 61.2836 67.3508 35.7559 55.9606 -83.3184 PRESSAVG: 1006800 -28.2601 -35.0016 60.8101 -35.0016 24.0624 29.8999 60.81 29.8999 -26.2809 GPRESSAVG: 1006800 -28.1129 -33.8048 61.608 -36.971 24.492 28.6625 62.6524 33.2922 -26.4061 TIMING: 1006800 CPU: 3169.95, 0.00314936/step Wall: 3169.95, 0.00314936/step, 3.49334 hours remaining, 236.199219 MB of memory in use. ENERGY: 1006800 4067.5294 20228.5117 14404.1837 221.7830 -203403.0316 2507.7445 0.0000 0.0000 52230.8490 -109742.4302 300.1714 -161973.2792 -109376.9921 299.0007 -169.3502 -142.4115 760337.7073 -10.1595 -10.0090 PRESSURE: 1007000 303.034 70.5149 20.6235 70.515 -22.9222 252.365 20.6242 252.366 230.26 GPRESSURE: 1007000 311.827 -10.9177 87.0295 88.7132 5.00903 286.813 65.6645 214.79 265.58 PRESSAVG: 1007000 -3.29687 -41.6359 37.4778 -41.6359 37.1591 7.49469 37.4778 7.49468 5.34732 GPRESSAVG: 1007000 -5.35763 -41.4657 37.7266 -41.7421 37.8721 10.5274 38.1574 4.47529 6.85734 TIMING: 1007000 CPU: 3170.58, 0.00314685/step Wall: 3170.58, 0.00314685/step, 3.49038 hours remaining, 236.199219 MB of memory in use. ENERGY: 1007000 4021.4627 20502.7695 14476.7739 203.7430 -203481.0230 2758.6615 0.0000 0.0000 51845.4521 -109672.1604 297.9565 -161517.6125 -109325.7346 298.6557 170.1241 194.1388 759849.2694 13.0698 13.1239 PRESSURE: 1007200 -120.798 -178.351 96.0119 -178.351 51.4731 104.958 96.0117 104.957 -166.791 GPRESSURE: 1007200 -164.055 -229.707 -21.9877 -192.153 120.893 207.265 159.221 64.7472 -82.608 PRESSAVG: 1007200 12.357 -24.3839 39.4165 -24.384 15.5728 -25.111 39.4164 -25.1109 33.9363 GPRESSAVG: 1007200 14.2734 -25.2707 37.802 -22.5184 15.5248 -26.2551 38.5425 -26.3264 32.5849 TIMING: 1007200 CPU: 3171.21, 0.00317801/step Wall: 3171.21, 0.00317801/step, 3.52476 hours remaining, 236.199219 MB of memory in use. ENERGY: 1007200 4017.9893 20304.9570 14478.4564 233.4759 -203493.9899 2823.6425 0.0000 0.0000 51905.8518 -109729.6171 298.3036 -161635.4689 -109364.2965 298.9572 -78.7055 -41.9233 761385.6926 20.6220 20.7944 PRESSURE: 1007400 73.5898 107.557 161.991 107.557 -87.2572 -58.1302 161.99 -58.1295 142.756 GPRESSURE: 1007400 110.472 -9.63516 103.841 227.648 -61.1971 -101.381 143.25 0.419654 166.657 PRESSAVG: 1007400 -28.2415 -9.87611 12.1462 -9.87604 21.1155 -50.3662 12.1461 -50.3662 4.6754 GPRESSAVG: 1007400 -28.4572 -9.55861 12.0289 -11.1979 20.8164 -49.1895 11.2268 -48.433 5.83271 TIMING: 1007400 CPU: 3171.85, 0.00318034/step Wall: 3171.85, 0.00318034/step, 3.52718 hours remaining, 236.199219 MB of memory in use. ENERGY: 1007400 3974.6790 20420.1585 14414.1922 264.0685 -203517.1395 2656.9218 0.0000 0.0000 52223.1005 -109564.0190 300.1269 -161787.1194 -109212.7268 299.1238 43.0294 71.9771 761604.0684 -0.8169 -0.6027 PRESSURE: 1007600 133.82 -125.968 32.1729 -125.967 -216.281 -9.42732 32.1731 -9.42781 -170.281 GPRESSURE: 1007600 142.542 -54.8146 96.3885 -160.442 -137.051 -65.5023 59.1422 -8.80986 -186.937 PRESSAVG: 1007600 11.1148 -33.8838 -23.8606 -33.8837 -23.3144 -59.2685 -23.8605 -59.2685 8.71493 GPRESSAVG: 1007600 10.5165 -34.1526 -23.3936 -33.101 -23.354 -60.6394 -23.5156 -59.8304 8.92832 TIMING: 1007600 CPU: 3172.49, 0.00319176/step Wall: 3172.49, 0.00319176/step, 3.53966 hours remaining, 236.199219 MB of memory in use. ENERGY: 1007600 3969.3687 20570.4447 14516.2031 255.2367 -203031.2083 2066.9409 0.0000 0.0000 52024.6215 -109628.3927 298.9862 -161653.0142 -109267.3343 298.9253 -84.2476 -60.4824 760303.0658 -1.1615 -1.3031 PRESSURE: 1007800 -2.15396 80.4801 24.1404 80.4803 53.1601 98.1125 24.1408 98.1132 -19.593 GPRESSURE: 1007800 -16.9659 49.4169 52.848 122.176 44.9889 85.9458 -75.5385 95.5522 70.1682 PRESSAVG: 1007800 12.6421 -27.1597 -16.7042 -27.1597 -20.8015 -6.13915 -16.7041 -6.1392 8.08134 GPRESSAVG: 1007800 12.9486 -26.3139 -15.6655 -28.6093 -20.04 -4.67075 -17.5287 -8.12509 7.04903 TIMING: 1007800 CPU: 3173.12, 0.00316755/step Wall: 3173.12, 0.00316755/step, 3.51264 hours remaining, 236.199219 MB of memory in use. ENERGY: 1007800 4016.7373 20618.0957 14409.4953 244.5627 -203199.2771 2377.7203 0.0000 0.0000 52053.8544 -109478.8114 299.1542 -161532.6658 -109113.5346 299.3195 10.4710 32.7304 759149.6567 -0.0260 -0.0141 PRESSURE: 1008000 -457.94 -291.603 159.812 -291.603 -208.957 -95.7431 159.811 -95.7424 -369.812 GPRESSURE: 1008000 -468.51 -220.189 99.5595 -231.62 -79.0501 -94.2798 256.119 -34.8313 -406.642 PRESSAVG: 1008000 -4.32797 -14.6586 7.21296 -14.6586 9.01509 -28.0234 7.213 -28.0235 -1.3395 GPRESSAVG: 1008000 -3.91114 -17.2315 7.29396 -12.3679 8.37899 -28.9987 7.70236 -24.5916 -0.868507 TIMING: 1008000 CPU: 3173.75, 0.00315591/step Wall: 3173.75, 0.00315591/step, 3.49955 hours remaining, 236.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1008000 4007.8668 20502.3704 14516.1871 243.6590 -203388.0093 2438.3501 0.0000 0.0000 52468.7324 -109210.8434 301.5385 -161679.5758 -108845.4611 300.2847 -345.5694 -318.0674 760312.3572 1.1159 1.1998 PRESSURE: 1008200 -427.569 7.07024 -177.384 7.07004 -391.843 143.192 -177.384 143.192 -323.565 GPRESSURE: 1008200 -338.91 -22.6767 -191.507 -22.796 -366.04 167.751 -177.107 46.7016 -352.952 PRESSAVG: 1008200 17.6803 -49.296 -15.574 -49.296 25.8726 21.0985 -15.5741 21.0986 -6.7495 GPRESSAVG: 1008200 18.0839 -48.5448 -15.5466 -49.9214 25.9005 21.725 -15.2147 18.8074 -7.60606 TIMING: 1008200 CPU: 3174.38, 0.003151/step Wall: 3174.38, 0.003151/step, 3.49394 hours remaining, 236.199219 MB of memory in use. ENERGY: 1008200 4026.4866 20549.1053 14547.3905 263.7159 -203260.4277 2307.8628 0.0000 0.0000 52204.5499 -109361.3166 300.0203 -161565.8665 -109004.2317 300.1638 -380.9925 -352.6338 760353.0896 12.2678 12.1261 LDB: ============= START OF LOAD BALANCING ============== 3186.78 LDB: ============== END OF LOAD BALANCING =============== 3186.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3186.78 LDB: ============= START OF LOAD BALANCING ============== 3187.1 LDB: Largest compute 7026 load 0.033881 is 17.3% of average load 0.195883 LDB: Average compute 0.004365 is 2.2% of average load 0.195883 LDB: TIME 3187.1 LOAD: AVG 0.195883 MAX 0.216616 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.953 MB LDB: TIME 3187.1 LOAD: AVG 0.195883 MAX 0.216616 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.02 MB LDB: TIME 3187.1 LOAD: AVG 0.195883 MAX 0.216616 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3187.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3187.11 PRESSURE: 1008400 -22.646 -166.28 -160.887 -166.278 -42.5969 -18.525 -160.887 -18.5259 -458.447 GPRESSURE: 1008400 -8.42052 -204.193 -99.2446 -145.577 21.7923 -23.5261 -185.23 51.594 -446.471 PRESSAVG: 1008400 14.0774 5.79679 11.7735 5.79679 -22.7107 -39.9865 11.7736 -39.9865 7.24423 GPRESSAVG: 1008400 13.1697 5.78245 9.81959 4.91892 -22.1438 -40.6941 14.1383 -40.8667 7.68355 TIMING: 1008400 CPU: 3175.03, 0.00322629/step Wall: 3175.03, 0.00322629/step, 3.57724 hours remaining, 237.750000 MB of memory in use. ENERGY: 1008400 4017.2432 20473.5255 14469.7844 244.5081 -202700.4297 2186.1930 0.0000 0.0000 52185.8202 -109123.3553 299.9126 -161309.1755 -108764.1112 300.1752 -174.5634 -144.3665 760720.6410 -0.4630 -0.4302 PRESSURE: 1008600 -137.412 -62.2147 260.042 -62.2147 -65.3192 -140.772 260.042 -140.771 -4.06368 GPRESSURE: 1008600 -151.373 14.3123 301.632 -102.225 1.95629 -123.435 286.544 -91.8434 28.1745 PRESSAVG: 1008600 27.8017 -49.7031 18.3635 -49.7031 -30.6206 -24.6523 18.3635 -24.6523 -19.1928 GPRESSAVG: 1008600 27.6818 -48.7871 18.4167 -51.679 -30.9868 -24.5233 15.7722 -25.1977 -18.8367 TIMING: 1008600 CPU: 3175.66, 0.00316693/step Wall: 3175.66, 0.00316693/step, 3.51124 hours remaining, 237.750000 MB of memory in use. ENERGY: 1008600 4010.2024 20576.6675 14514.1684 257.0256 -202980.5459 2604.3299 0.0000 0.0000 51960.1105 -109058.0417 298.6155 -161018.1522 -108692.8681 299.6075 -68.9318 -40.4140 761948.2452 -7.3372 -7.3806 PRESSURE: 1008800 299.972 62.298 -17.7684 62.2984 -131.409 -147.327 -17.7669 -147.328 46.6503 GPRESSURE: 1008800 321.409 -10.7497 -87.0837 129.194 -79.1218 -208.902 -95.1876 -182.867 40.5742 PRESSAVG: 1008800 40.8241 -47.5865 21.7027 -47.5864 -29.6375 -1.86936 21.7027 -1.86931 -15.2697 GPRESSAVG: 1008800 40.7239 -47.2109 21.8084 -44.4655 -29.6052 -1.60749 23.5163 -1.4773 -15.439 TIMING: 1008800 CPU: 3176.29, 0.0031573/step Wall: 3176.29, 0.0031573/step, 3.5004 hours remaining, 237.750000 MB of memory in use. ENERGY: 1008800 4040.5740 20519.4276 14451.1644 250.3705 -203341.0559 2625.2531 0.0000 0.0000 52399.2794 -109054.9868 301.1394 -161454.2662 -108693.1671 300.0640 71.7378 94.2871 761130.6563 -1.3611 -1.4401 PRESSURE: 1009000 -227.894 58.8753 119.136 58.8754 -158.544 -45.1275 119.136 -45.1276 -33.1857 GPRESSURE: 1009000 -136.373 197.484 56.9213 116.527 -136.205 -15.4225 36.1358 51.0834 -49.3419 PRESSAVG: 1009000 23.3668 -21.6902 20.3843 -21.6902 -21.8031 -43.449 20.3843 -43.449 16.5788 GPRESSAVG: 1009000 25.2175 -21.7771 21.1484 -23.1678 -22.5164 -41.6128 19.5844 -43.0241 16.0798 TIMING: 1009000 CPU: 3176.92, 0.00316451/step Wall: 3176.92, 0.00316451/step, 3.50822 hours remaining, 237.750000 MB of memory in use. ENERGY: 1009000 3970.6806 20439.0801 14547.4281 262.9218 -202851.9564 2381.1217 0.0000 0.0000 52121.8899 -109128.8342 299.5452 -161250.7240 -108757.8057 300.0972 -139.8746 -107.3066 760380.6621 6.0475 6.2603 PRESSURE: 1009200 37.951 247.293 396.592 247.293 61.0923 57.0488 396.592 57.0482 -259.015 GPRESSURE: 1009200 88.8103 68.1412 462.266 55.2322 62.9843 93.8121 257.417 12.1215 -221.91 PRESSAVG: 1009200 -49.002 15.3542 34.9183 15.3542 44.2196 -20.8435 34.9183 -20.8435 21.3791 GPRESSAVG: 1009200 -48.796 14.2336 33.3134 14.6598 43.7968 -22.86 33.9735 -21.0714 22.0115 TIMING: 1009200 CPU: 3177.56, 0.00316617/step Wall: 3177.56, 0.00316617/step, 3.50988 hours remaining, 237.750000 MB of memory in use. ENERGY: 1009200 4013.2027 20510.6788 14458.8012 244.1348 -203301.6294 2601.0673 0.0000 0.0000 52273.3642 -109200.3804 300.4157 -161473.7446 -108841.9430 300.4581 -53.3240 -23.3718 760429.3450 5.5322 5.6708 PRESSURE: 1009400 -103.32 -201.015 169.741 -201.015 102.55 -120.14 169.74 -120.14 -317.677 GPRESSURE: 1009400 -98.5001 -207.601 127.241 -182.087 205.764 -200.661 213.452 -127.059 -351.626 PRESSAVG: 1009400 -41.281 -29.1354 25.5847 -29.1353 55.9745 -1.74896 25.5848 -1.74897 12.98 GPRESSAVG: 1009400 -42.8866 -29.2997 26.9273 -30.0972 56.9149 -0.851843 25.9763 -2.41603 13.1872 TIMING: 1009400 CPU: 3178.2, 0.00318726/step Wall: 3178.2, 0.00318726/step, 3.53308 hours remaining, 237.750000 MB of memory in use. ENERGY: 1009400 4032.5044 20526.9965 14494.0885 235.8630 -202864.1144 2233.6253 0.0000 0.0000 52307.5656 -109033.4712 300.6123 -161341.0368 -108667.1676 300.0109 -106.1489 -81.4541 759948.0336 9.2245 9.0718 PRESSURE: 1009600 -410.03 217.358 56.6796 217.358 -417.539 -325.914 56.6793 -325.915 -187.408 GPRESSURE: 1009600 -358.103 220.641 133.425 114.103 -380.197 -317.719 155.845 -299.2 -190.026 PRESSAVG: 1009600 -22.8695 48.9712 -26.6458 48.9711 47.5187 -88.467 -26.6459 -88.4669 4.83406 GPRESSAVG: 1009600 -22.6259 50.0495 -26.6343 48.2589 48.4329 -89.0127 -28.3722 -86.4964 3.98086 TIMING: 1009600 CPU: 3178.83, 0.00317509/step Wall: 3178.83, 0.00317509/step, 3.51941 hours remaining, 237.750000 MB of memory in use. ENERGY: 1009600 4076.7879 20352.0568 14497.6763 264.1974 -202721.5588 2146.8176 0.0000 0.0000 52195.3951 -109188.6277 299.9677 -161384.0228 -108824.5158 300.3501 -338.3253 -309.4418 760647.9940 9.8277 9.9293 PRESSURE: 1009800 0.924247 -165.22 -187.771 -165.219 -119.028 -99.4534 -187.771 -99.4529 -159.154 GPRESSURE: 1009800 74.9364 -258.049 -236.463 -205.371 -67.1285 -69.9273 -140.748 -60.7852 -190.546 PRESSAVG: 1009800 45.987 -5.80759 -37.2811 -5.80756 10.2312 -69.6869 -37.281 -69.6868 -5.43577 GPRESSAVG: 1009800 46.4231 -7.67334 -35.7655 -1.39812 10.1874 -70.6165 -35.8375 -71.4371 -5.57053 TIMING: 1009800 CPU: 3179.47, 0.00317603/step Wall: 3179.47, 0.00317603/step, 3.52027 hours remaining, 237.750000 MB of memory in use. ENERGY: 1009800 3990.7286 20354.0590 14563.0835 264.7959 -202843.9981 2260.2334 0.0000 0.0000 52038.3205 -109372.7771 299.0649 -161411.0976 -109013.8549 299.2712 -92.4192 -60.9126 762529.9179 16.9275 17.0133 PRESSURE: 1010000 -15.4123 -7.06908 46.5831 -7.06906 -324.923 -49.3981 46.5833 -49.3967 -498.401 GPRESSURE: 1010000 -1.92017 -104.982 87.7673 26.1572 -278.221 -18.1022 106.758 -34.4208 -468.264 PRESSAVG: 1010000 16.6136 -53.2621 -51.3313 -53.2621 -53.3181 -21.3641 -51.3313 -21.3641 9.18357 GPRESSAVG: 1010000 16.7763 -50.7851 -52.2544 -56.8259 -53.6036 -20.6827 -51.2235 -21.0513 9.62316 TIMING: 1010000 CPU: 3180.1, 0.00317886/step Wall: 3180.1, 0.00317886/step, 3.52323 hours remaining, 237.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1010000 3942.7979 20403.6773 14476.3845 254.6046 -203091.4454 2243.8715 0.0000 0.0000 52182.9264 -109587.1832 299.8960 -161770.1096 -109219.8451 299.1885 -279.5785 -249.4683 762798.9558 -9.1736 -9.0681 PRESSURE: 1010200 -96.338 -16.7523 44.8466 -16.7513 -340.242 78.1154 44.8466 78.1155 -321.644 GPRESSURE: 1010200 -77.1348 -69.4521 -27.1189 49.6273 -265.75 32.1068 -41.2787 146.97 -349.916 PRESSAVG: 1010200 38.8352 -35.4363 -18.4212 -35.4362 -13.0163 59.9654 -18.4212 59.9654 1.92697 GPRESSAVG: 1010200 38.5047 -35.1734 -19.9448 -35.3853 -11.613 59.516 -17.6093 59.4156 1.30067 TIMING: 1010200 CPU: 3180.74, 0.00318798/step Wall: 3180.74, 0.00318798/step, 3.53316 hours remaining, 237.750000 MB of memory in use. ENERGY: 1010200 3998.1427 20504.5525 14482.5559 252.6344 -203006.5026 2246.9376 0.0000 0.0000 52123.1084 -109398.5710 299.5522 -161521.6794 -109028.6842 299.5882 -252.7414 -230.9335 762232.1023 9.2486 9.3974 PRESSURE: 1010400 -97.9475 194.764 -14.0418 194.764 -278.32 181.655 -14.0418 181.655 -65.6334 GPRESSURE: 1010400 -33.2237 105.391 -33.4049 163.368 -238.797 78.0465 -5.7845 64.6878 -92.3781 PRESSAVG: 1010400 -38.6227 -26.5092 30.9333 -26.5091 23.2062 -14.7072 30.9333 -14.7071 -16.6489 GPRESSAVG: 1010400 -38.4948 -27.9067 32.1309 -23.5671 22.967 -14.1944 30.4846 -13.3708 -16.181 TIMING: 1010400 CPU: 3181.38, 0.00318434/step Wall: 3181.38, 0.00318434/step, 3.52895 hours remaining, 237.750000 MB of memory in use. ENERGY: 1010400 4037.4430 20600.0080 14490.2693 240.0024 -202985.7679 2382.6124 0.0000 0.0000 51957.2678 -109278.1649 298.5991 -161235.4328 -108909.8621 299.4500 -147.3005 -121.4663 762082.9448 -10.6885 -10.5696 PRESSURE: 1010600 -17.4507 -136.096 -156.658 -136.096 120.54 -149.665 -156.657 -149.665 148.687 GPRESSURE: 1010600 13.176 -34.6597 -149.015 -127.92 220.894 -145.419 -116.113 -155.959 86.0575 PRESSAVG: 1010600 17.8012 1.83668 -25.3177 1.8367 -16.4314 -22.2539 -25.3177 -22.2538 4.24592 GPRESSAVG: 1010600 16.577 1.05791 -24.833 0.975416 -16.0145 -23.7476 -27.5184 -23.3357 4.77166 TIMING: 1010600 CPU: 3182.01, 0.00318374/step Wall: 3182.01, 0.00318374/step, 3.52812 hours remaining, 237.750000 MB of memory in use. ENERGY: 1010600 4055.4724 20401.0613 14440.3026 236.9165 -203395.9987 2726.8728 0.0000 0.0000 52173.6082 -109361.7650 299.8424 -161535.3732 -109000.2245 299.6022 83.9252 106.7093 761340.8021 1.8719 1.7780 PRESSURE: 1010800 -214.363 -35.116 -7.93462 -35.1161 8.95608 87.9816 -7.93441 87.9822 -182.083 GPRESSURE: 1010800 -163.107 -17.7873 -47.7149 1.86307 41.0747 144.775 -142.606 49.3925 -186.162 PRESSAVG: 1010800 21.3892 -16.435 -14.2907 -16.435 68.774 -43.7197 -14.2907 -43.7196 -12.2511 GPRESSAVG: 1010800 22.6234 -15.4551 -14.8983 -17.4393 69.024 -42.1903 -13.8228 -42.4498 -13.2615 TIMING: 1010800 CPU: 3182.65, 0.00317511/step Wall: 3182.65, 0.0031751/step, 3.51837 hours remaining, 237.750000 MB of memory in use. ENERGY: 1010800 3921.4630 20490.4848 14439.6525 239.0667 -203247.1169 2309.6843 0.0000 0.0000 52190.1934 -109656.5722 299.9378 -161846.7656 -109296.1357 299.4045 -129.1631 -102.7312 761456.5222 25.9707 26.1286 PRESSURE: 1011000 14.5239 233.466 -71.5631 233.465 29.8078 49.6424 -71.563 49.643 178.044 GPRESSURE: 1011000 26.5705 165.969 -149.046 221.057 39.3073 128.633 61.5377 -58.7983 240.807 PRESSAVG: 1011000 -71.0223 -38.2575 -71.2127 -38.2575 22.2007 61.3917 -71.2126 61.3916 -5.62435 GPRESSAVG: 1011000 -69.77 -37.1432 -71.089 -36.8475 20.3828 63.0803 -70.194 58.907 -5.3291 TIMING: 1011000 CPU: 3183.28, 0.00317463/step Wall: 3183.28, 0.00317463/step, 3.51767 hours remaining, 237.750000 MB of memory in use. ENERGY: 1011000 3942.5152 20628.3796 14420.1669 273.9091 -203772.6394 2791.4520 0.0000 0.0000 52010.8066 -109705.4100 298.9068 -161716.2166 -109354.2317 298.8993 74.1253 102.2282 762029.4505 -18.1487 -18.2388 PRESSURE: 1011200 -200.058 148.092 280.824 148.093 -233.556 142.723 280.823 142.723 285.406 GPRESSURE: 1011200 -192.197 174.554 294.957 138.789 -105.525 186.604 158.664 181.157 236.574 PRESSAVG: 1011200 -9.85672 6.94685 -8.40997 6.94686 -8.90577 40.8197 -8.40998 40.8197 28.8884 GPRESSAVG: 1011200 -11.5828 5.8831 -8.16715 6.76974 -7.6243 38.4444 -7.49363 43.288 29.2145 TIMING: 1011200 CPU: 3183.92, 0.00317726/step Wall: 3183.92, 0.00317726/step, 3.5204 hours remaining, 237.750000 MB of memory in use. ENERGY: 1011200 3987.8332 20351.5263 14398.3582 254.5577 -203356.5149 2644.3515 0.0000 0.0000 51827.0667 -109892.8212 297.8509 -161719.8879 -109532.3002 298.6593 -49.4025 -20.3828 763668.0082 3.3753 3.3358 PRESSURE: 1011400 -159.441 -108.451 -63.9687 -108.451 100.681 -40.7961 -63.968 -40.7955 -195.016 GPRESSURE: 1011400 -74.0345 -98.0495 125.668 -76.396 107.328 42.4283 -13.086 -130.404 -219.369 PRESSAVG: 1011400 31.1827 36.8292 -0.312412 36.8292 -49.1455 45.7227 -0.312384 45.7227 -6.21103 GPRESSAVG: 1011400 32.2699 39.2846 1.18978 34.9781 -49.6602 45.6643 0.0928552 43.7555 -6.61113 TIMING: 1011400 CPU: 3184.55, 0.00317409/step Wall: 3184.55, 0.00317409/step, 3.51671 hours remaining, 237.750000 MB of memory in use. ENERGY: 1011400 3973.1450 20307.3317 14464.3925 232.0259 -203417.6817 2481.9667 0.0000 0.0000 51919.4376 -110039.3823 298.3817 -161958.8199 -109680.5302 298.6477 -84.5918 -62.0253 760185.5011 -8.0580 -8.0005 PRESSURE: 1011600 261.053 -74.0918 30.8812 -74.0923 -217.464 -87.1539 30.8809 -87.1534 -130.376 GPRESSURE: 1011600 118.453 -111.544 14.3103 -179.662 -22.2196 -0.917454 26.0242 -1.0933 -99.3658 PRESSAVG: 1011600 65.8673 -2.76914 29.6026 -2.76916 -43.9913 -33.4264 29.6026 -33.4263 -21.445 GPRESSAVG: 1011600 65.6066 -5.08664 29.1869 -2.58786 -42.7425 -32.3742 30.2469 -30.2717 -22.1226 TIMING: 1011600 CPU: 3185.19, 0.0031876/step Wall: 3185.19, 0.0031876/step, 3.53151 hours remaining, 237.750000 MB of memory in use. ENERGY: 1011600 4047.9433 20527.2219 14473.3902 239.1181 -203818.5205 2814.3178 0.0000 0.0000 51779.6929 -109936.8364 297.5786 -161716.5293 -109577.1352 298.3092 -28.9289 -1.0441 759056.1120 0.1436 0.2471 PRESSURE: 1011800 41.6851 -5.48977 -45.4064 -5.48949 -97.5053 119.826 -45.4071 119.825 -679.059 GPRESSURE: 1011800 25.5533 6.66193 -46.3709 -30.6146 -105.427 30.9291 -97.5539 89.3393 -573.834 PRESSAVG: 1011800 -3.37348 -24.8767 13.7105 -24.8767 -15.8966 -10.4456 13.7105 -10.4455 -6.94019 GPRESSAVG: 1011800 -4.7715 -23.2217 14.9859 -22.4014 -15.9022 -11.6174 8.96045 -11.4181 -5.30314 TIMING: 1011800 CPU: 3185.83, 0.00317967/step Wall: 3185.83, 0.00317967/step, 3.52254 hours remaining, 237.750000 MB of memory in use. ENERGY: 1011800 4013.8381 20443.4614 14522.8601 250.3355 -203245.4087 2226.3829 0.0000 0.0000 51846.6953 -109941.8354 297.9637 -161788.5307 -109582.9013 298.2682 -244.9597 -217.9025 761408.6002 -8.7368 -8.6589 PRESSURE: 1012000 143.446 140.002 244.424 140.002 -180.131 -118.789 244.424 -118.789 -361.902 GPRESSURE: 1012000 214.477 172.515 220.795 143.305 -176.855 -90.4203 180.365 -147.222 -341.819 PRESSAVG: 1012000 37.7595 -22.9774 2.49095 -22.9773 -20.0498 6.84751 2.49093 6.8475 23.1053 GPRESSAVG: 1012000 38.7428 -23.5581 -0.0313803 -23.1002 -20.7268 7.16219 3.39767 6.90846 22.732 TIMING: 1012000 CPU: 3186.46, 0.0031735/step Wall: 3186.46, 0.0031735/step, 3.51554 hours remaining, 237.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1012000 3946.6772 20507.0925 14458.4984 257.2609 -203697.9723 2555.8087 0.0000 0.0000 51900.8562 -110071.7784 298.2749 -161972.6346 -109711.9423 298.2634 -132.8621 -101.3988 759566.6242 13.6050 13.5827 PRESSURE: 1012200 -63.8336 136.291 -162.839 136.291 -421.563 -82.7364 -162.839 -82.7373 -357.143 GPRESSURE: 1012200 -20.7094 91.6087 -216.626 151.196 -396.481 -52.1126 -83.2542 -15.7335 -332.781 PRESSAVG: 1012200 31.0381 25.1688 12.5697 25.1688 -60.7496 -1.24299 12.5697 -1.24301 1.02694 GPRESSAVG: 1012200 31.0762 24.1144 12.1536 24.0727 -61.0334 0.517689 13.4458 -2.03545 1.04092 TIMING: 1012200 CPU: 3187.09, 0.00315415/step Wall: 3187.09, 0.00315415/step, 3.49393 hours remaining, 237.750000 MB of memory in use. ENERGY: 1012200 3943.9193 20505.7609 14467.5190 245.9368 -203966.5329 2846.9041 0.0000 0.0000 52002.9180 -109953.5748 298.8615 -161956.4928 -109597.8618 298.5624 -280.8463 -249.9904 759134.2140 -9.5615 -9.6387 LDB: ============= START OF LOAD BALANCING ============== 3199.49 LDB: ============== END OF LOAD BALANCING =============== 3199.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3199.49 LDB: ============= START OF LOAD BALANCING ============== 3199.81 LDB: Largest compute 7077 load 0.034454 is 17.6% of average load 0.195924 LDB: Average compute 0.004355 is 2.2% of average load 0.195924 LDB: TIME 3199.81 LOAD: AVG 0.195924 MAX 0.216081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.777 MB LDB: TIME 3199.81 LOAD: AVG 0.195924 MAX 0.216081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.777 MB LDB: TIME 3199.81 LOAD: AVG 0.195924 MAX 0.216081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.777 MB LDB: ============== END OF LOAD BALANCING =============== 3199.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3199.82 PRESSURE: 1012400 247.833 29.9571 119.819 29.9571 -133.013 -399.527 119.819 -399.528 -151.214 GPRESSURE: 1012400 195.587 6.36701 153.626 10.423 1.77707 -342.828 186.068 -268.852 -142.66 PRESSAVG: 1012400 44.4122 30.5995 4.84228 30.5995 -79.0328 24.4023 4.84227 24.4023 -5.64987 GPRESSAVG: 1012400 43.7668 29.9641 7.0694 31.2075 -77.7536 23.3502 5.25424 24.1169 -5.88429 TIMING: 1012400 CPU: 3187.74, 0.00323339/step Wall: 3187.74, 0.00323339/step, 3.58152 hours remaining, 236.523438 MB of memory in use. ENERGY: 1012400 3962.0410 20372.1880 14451.0121 263.7493 -203863.4699 2676.4610 0.0000 0.0000 52087.4579 -110050.5606 299.3473 -162138.0185 -109677.1860 298.0967 -12.1312 18.2350 760349.8710 -13.4235 -13.2904 PRESSURE: 1012600 43.5565 65.268 52.5767 65.268 77.494 68.1917 52.5769 68.192 -283.888 GPRESSURE: 1012600 69.4915 51.0083 53.7026 73.2844 -6.43452 131.102 83.2166 176.945 -135.395 PRESSAVG: 1012600 -5.08 -22.9028 3.60496 -22.9028 -19.7885 19.229 3.6049 19.229 -15.0732 GPRESSAVG: 1012600 -6.59526 -23.2878 1.24682 -23.8768 -20.136 18.2444 5.32692 19.582 -13.0516 TIMING: 1012600 CPU: 3188.37, 0.0031531/step Wall: 3188.37, 0.0031531/step, 3.49241 hours remaining, 236.523438 MB of memory in use. ENERGY: 1012600 3972.9015 20428.4425 14504.1181 225.9542 -203894.8785 2820.4151 0.0000 0.0000 52067.0119 -109876.0352 299.2298 -161943.0471 -109506.1332 298.2935 -54.2791 -24.1128 761115.1939 -13.3139 -13.2609 PRESSURE: 1012800 -77.2377 113.413 -2.73802 113.413 172.918 -23.3114 -2.73735 -23.3112 -60.3068 GPRESSURE: 1012800 -53.2817 47.3366 16.5625 223.167 219.977 -66.6791 -45.6008 -33.8738 -39.8878 PRESSAVG: 1012800 -23.3042 24.2845 10.3763 24.2845 23.7041 33.3221 10.3763 33.3222 -22.4976 GPRESSAVG: 1012800 -21.3749 25.1966 10.822 24.7334 23.7186 33.9848 9.81422 36.6262 -24.6596 TIMING: 1012800 CPU: 3189, 0.00317619/step Wall: 3189, 0.00317619/step, 3.51781 hours remaining, 236.523438 MB of memory in use. ENERGY: 1012800 4007.4469 20506.5045 14446.8850 220.9743 -203462.5754 2369.4745 0.0000 0.0000 52058.4770 -109852.8131 299.1808 -161911.2901 -109481.9302 299.0832 11.7910 42.2691 762265.3448 -7.3659 -7.4386 PRESSURE: 1013000 -98.8876 54.2057 55.2552 54.2058 -117.599 -30.6079 55.2554 -30.6078 85.4584 GPRESSURE: 1013000 -0.39306 15.5883 41.8945 5.8044 -113.245 -12.7068 110.587 -96.7549 66.7639 PRESSAVG: 1013000 -72.6 14.7061 -58.8986 14.7061 25.4731 -26.3942 -58.8986 -26.3943 -15.0481 GPRESSAVG: 1013000 -72.7714 14.067 -58.5623 15.746 26.3665 -25.4037 -61.3623 -29.5612 -15.829 TIMING: 1013000 CPU: 3189.64, 0.00318266/step Wall: 3189.64, 0.00318266/step, 3.5248 hours remaining, 236.523438 MB of memory in use. ENERGY: 1013000 3945.1253 20549.8234 14456.8550 245.5861 -203576.9912 2500.8326 0.0000 0.0000 52092.5975 -109786.1712 299.3769 -161878.7688 -109430.7677 298.9592 -43.6760 -15.6247 761732.4701 -20.7250 -20.7446 PRESSURE: 1013200 187.487 -208.023 -29.9579 -208.023 48.6474 -9.56319 -29.9581 -9.56365 568.859 GPRESSURE: 1013200 93.0285 -163.944 36.9753 -174.681 186.126 -54.0355 95.0993 -14.8454 607.046 PRESSAVG: 1013200 -3.75313 16.9073 -3.28371 16.9073 -64.259 -6.83446 -3.28369 -6.83462 0.904453 GPRESSAVG: 1013200 -2.56684 17.3003 -4.42876 17.9344 -66.2852 -8.80208 0.0751892 -8.33918 1.55666 TIMING: 1013200 CPU: 3190.28, 0.00318514/step Wall: 3190.28, 0.00318514/step, 3.52736 hours remaining, 236.523438 MB of memory in use. ENERGY: 1013200 4024.5156 20267.2387 14468.2628 259.7855 -203524.7494 2812.6804 0.0000 0.0000 52059.6337 -109632.6326 299.1874 -161692.2663 -109263.1551 298.5120 268.3312 295.4002 759449.3690 -22.3692 -22.4318 PRESSURE: 1013400 -12.9664 81.6938 -203.38 81.6943 -74.1091 -63.5012 -203.381 -63.5001 -388.24 GPRESSURE: 1013400 -25.4385 -62.0909 -248.962 45.9252 -18.3466 -124.641 -130.382 -68.0148 -355.585 PRESSAVG: 1013400 36.6828 -6.25408 -2.01582 -6.25413 30.0237 -17.1097 -2.01579 -17.1097 -6.79299 GPRESSAVG: 1013400 35.7217 -6.11383 0.730817 -6.56871 31.6885 -17.935 -3.36947 -15.4277 -7.53381 TIMING: 1013400 CPU: 3190.91, 0.00317243/step Wall: 3190.91, 0.00317243/step, 3.51311 hours remaining, 236.523438 MB of memory in use. ENERGY: 1013400 3931.5195 20334.4324 14383.4244 250.3115 -202775.9094 2281.8665 0.0000 0.0000 52026.3172 -109568.0381 298.9960 -161594.3553 -109196.9163 298.8564 -158.4386 -133.1234 763058.6954 19.9712 19.9588 PRESSURE: 1013600 -331.288 -231.579 115.803 -231.58 340.594 -220.142 115.803 -220.141 -15.4522 GPRESSURE: 1013600 -263.385 -197.884 26.8656 -256.006 313.922 -268.583 50.0731 -28.0747 10.2384 PRESSAVG: 1013600 -68.0534 -35.3848 -1.23451 -35.3849 39.4994 -19.6787 -1.23451 -19.6786 -11.5788 GPRESSAVG: 1013600 -66.2728 -34.9821 -4.12012 -36.5827 37.4806 -17.7082 -1.65475 -20.9839 -11.9665 TIMING: 1013600 CPU: 3191.55, 0.00319519/step Wall: 3191.55, 0.00319519/step, 3.53814 hours remaining, 236.523438 MB of memory in use. ENERGY: 1013600 4032.6025 20404.1493 14516.6613 239.8926 -203037.6821 2321.1798 0.0000 0.0000 51980.6610 -109542.5357 298.7336 -161523.1967 -109172.9542 298.6682 -2.0488 20.2586 761234.3678 -13.3776 -13.5862 PRESSURE: 1013800 -88.5676 -101.626 -181.81 -101.625 134.905 137.682 -181.81 137.681 -9.42963 GPRESSURE: 1013800 26.4532 -58.3875 -166.897 -105.812 101.901 177.895 -281.835 93.4507 -13.5154 PRESSAVG: 1013800 2.15669 -25.0316 -29.2563 -25.0317 32.4666 -27.6909 -29.2562 -27.6908 -22.4263 GPRESSAVG: 1013800 0.791747 -24.8974 -28.1943 -24.8101 32.8246 -27.7243 -28.9537 -26.8641 -21.2771 TIMING: 1013800 CPU: 3192.19, 0.00318989/step Wall: 3192.19, 0.00318989/step, 3.53209 hours remaining, 236.523438 MB of memory in use. ENERGY: 1013800 3961.7148 20410.8688 14471.9083 229.1625 -203141.0585 2468.0155 0.0000 0.0000 52122.8517 -109476.5369 299.5507 -161599.3886 -109117.3899 299.2957 12.3027 38.2795 760306.4542 4.0657 4.1131 PRESSURE: 1014000 170.08 193.44 -350.451 193.44 -46.3217 193.279 -350.452 193.278 12.4898 GPRESSURE: 1014000 186.212 104.579 -302.699 181.953 21.925 207.539 -274.737 67.9137 19.0726 PRESSAVG: 1014000 19.0574 -15.9134 -29.879 -15.9134 0.374486 -38.2956 -29.8791 -38.2956 -1.7428 GPRESSAVG: 1014000 16.4854 -17.0592 -27.8216 -15.8896 2.04007 -38.7664 -29.116 -39.8341 -0.812311 TIMING: 1014000 CPU: 3192.83, 0.00319794/step Wall: 3192.83, 0.00319794/step, 3.54083 hours remaining, 236.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1014000 3983.7315 20442.9493 14517.2737 244.7758 -203466.1653 2680.6713 0.0000 0.0000 52052.2493 -109544.5143 299.1450 -161596.7636 -109182.8301 299.4261 45.4160 75.7364 759323.3633 5.8964 5.9044 PRESSURE: 1014200 20.8427 182.766 -111.029 182.766 -230.021 91.1959 -111.029 91.1968 -45.7539 GPRESSURE: 1014200 92.1884 125.812 -107.494 104.792 -158.022 41.7363 -117.942 125.115 -108.988 PRESSAVG: 1014200 9.73599 -37.9972 -71.5886 -37.9972 -0.690874 49.5934 -71.5886 49.5934 10.7306 GPRESSAVG: 1014200 12.5156 -36.6634 -72.8588 -38.0935 -1.73129 49.3284 -71.9097 52.4898 10.0385 TIMING: 1014200 CPU: 3193.46, 0.00317891/step Wall: 3193.46, 0.00317891/step, 3.51958 hours remaining, 236.523438 MB of memory in use. ENERGY: 1014200 3981.7443 20404.8302 14489.9663 267.8845 -203261.3029 2353.1165 0.0000 0.0000 52280.0290 -109483.7321 300.4540 -161763.7611 -109120.4663 299.4656 -84.9775 -58.2736 758618.5030 6.5919 6.9410 PRESSURE: 1014400 -1.10744 96.5345 -12.5909 96.5351 26.9945 -129.184 -12.5908 -129.184 72.2854 GPRESSURE: 1014400 -27.7359 104.258 33.3732 28.3259 31.0172 30.3639 106.463 -89.159 164.41 PRESSAVG: 1014400 0.0759084 -14.9789 49.1421 -14.9789 10.9415 -7.36469 49.1421 -7.36466 -26.0617 GPRESSAVG: 1014400 -0.921305 -15.091 50.0082 -16.0879 11.6821 -7.02852 49.4019 -7.8553 -25.7432 TIMING: 1014400 CPU: 3194.1, 0.0031692/step Wall: 3194.1, 0.0031692/step, 3.50866 hours remaining, 236.523438 MB of memory in use. ENERGY: 1014400 4001.2123 20402.7415 14418.2501 244.0584 -202950.2138 2199.1503 0.0000 0.0000 52159.8430 -109524.9583 299.7633 -161684.8013 -109160.4316 298.9207 32.7241 55.8970 759617.5252 -5.0148 -4.9941 PRESSURE: 1014600 276.637 3.42169 301.206 3.42187 -67.4011 -22.6242 301.207 -22.6241 -206.7 GPRESSURE: 1014600 377.359 14.0719 338.771 129.118 -93.0539 -33.5647 244.253 -104.615 -206.618 PRESSAVG: 1014600 -20.6651 -23.2303 23.5359 -23.2302 49.8599 17.703 23.5359 17.703 2.97132 GPRESSAVG: 1014600 -20.2597 -25.3072 24.044 -20.797 49.3373 19.0855 22.3054 16.1495 2.83314 TIMING: 1014600 CPU: 3194.73, 0.00317647/step Wall: 3194.73, 0.00317647/step, 3.51653 hours remaining, 236.523438 MB of memory in use. ENERGY: 1014600 3938.8315 20662.7435 14499.8685 245.0341 -203291.8255 2206.6779 0.0000 0.0000 52045.3380 -109693.3320 299.1053 -161738.6700 -109340.4317 298.8070 0.8450 25.8958 760914.4954 10.7221 10.6369 PRESSURE: 1014800 53.4494 -66.2728 -57.3591 -66.2716 295.238 -81.7752 -57.3588 -81.775 -100.904 GPRESSURE: 1014800 155.212 0.283623 -151.437 7.20551 324.684 5.70214 -1.84602 -114.44 -156.764 PRESSAVG: 1014800 -12.2536 1.96396 -9.12002 1.964 34.3663 37.8775 -9.12007 37.8776 13.3939 GPRESSAVG: 1014800 -12.5557 4.14268 -11.8362 0.0900942 33.9345 36.7008 -7.56436 36.5048 13.8684 TIMING: 1014800 CPU: 3195.37, 0.00317391/step Wall: 3195.37, 0.00317391/step, 3.51351 hours remaining, 236.523438 MB of memory in use. ENERGY: 1014800 3993.5073 20455.6662 14451.1653 223.0226 -203742.2295 2707.2156 0.0000 0.0000 52146.2018 -109765.4508 299.6849 -161911.6526 -109402.7651 299.3287 82.5946 107.7108 759326.7516 11.8356 11.7491 PRESSURE: 1015000 136.828 55.0003 112.028 55.0004 75.8701 111.207 112.027 111.207 -214.657 GPRESSURE: 1015000 222.943 -89.5562 6.39805 114.508 80.4287 -0.9843 125.817 2.87061 -224.01 PRESSAVG: 1015000 2.49167 -18.642 -45.6342 -18.642 3.44976 34.1961 -45.6341 34.1962 1.44502 GPRESSAVG: 1015000 3.06933 -17.578 -44.2934 -18.1987 2.40448 34.4778 -49.3207 34.029 1.51014 TIMING: 1015000 CPU: 3196, 0.00317903/step Wall: 3196, 0.00317903/step, 3.51901 hours remaining, 236.523438 MB of memory in use. ENERGY: 1015000 3975.4964 20463.1857 14460.1802 256.9258 -203614.2217 2768.4223 0.0000 0.0000 52090.6944 -109599.3169 299.3659 -161690.0113 -109232.3762 298.9462 -0.6532 26.4538 761798.3964 2.4621 2.3280 PRESSURE: 1015200 4.44791 -122.393 16.1292 -122.393 225.421 -92.6708 16.129 -92.6708 12.6226 GPRESSURE: 1015200 124.699 -129.775 143.338 -115.869 218.566 -6.86687 67.583 -228.511 -22.8636 PRESSAVG: 1015200 49.7968 -26.8336 -50.7906 -26.8336 28.5698 -11.8605 -50.7906 -11.8604 9.04789 GPRESSAVG: 1015200 48.8468 -26.9878 -51.2071 -27.2727 30.1658 -11.2279 -47.4387 -11.1499 8.54271 TIMING: 1015200 CPU: 3196.64, 0.00318661/step Wall: 3196.64, 0.00318661/step, 3.52722 hours remaining, 236.523438 MB of memory in use. ENERGY: 1015200 3960.5089 20428.7415 14588.6499 241.2221 -203370.6147 2464.0140 0.0000 0.0000 52053.5590 -109633.9193 299.1525 -161687.4783 -109269.9488 298.8753 80.8304 106.8004 760090.9071 29.1382 29.1851 PRESSURE: 1015400 114.974 33.8243 -184.226 33.8237 258.874 -194.903 -184.227 -194.904 -29.2572 GPRESSURE: 1015400 162.853 153.814 -237.331 66.2128 277.843 -134.194 -150.613 -99.5654 8.70231 PRESSAVG: 1015400 -57.012 -26.1633 -5.73674 -26.1633 63.9312 11.8053 -5.73676 11.8053 2.27617 GPRESSAVG: 1015400 -57.1013 -24.7109 -4.96239 -25.1399 62.7415 11.8014 -8.0763 13.8365 3.49462 TIMING: 1015400 CPU: 3197.28, 0.00318223/step Wall: 3197.28, 0.00318223/step, 3.52219 hours remaining, 236.523438 MB of memory in use. ENERGY: 1015400 3952.6686 20508.2106 14460.5504 265.3490 -203369.2027 2693.5062 0.0000 0.0000 52031.6336 -109457.2843 299.0265 -161488.9178 -109092.3102 299.1289 114.8638 149.7995 761441.9819 3.0651 3.0449 PRESSURE: 1015600 194.381 -160.367 58.3568 -160.368 -259.362 132.785 58.3566 132.785 248.094 GPRESSURE: 1015600 217.57 -96.7247 118.369 -158.756 -185.108 140.481 164.105 163.332 242.137 PRESSAVG: 1015600 -80.3898 20.6613 28.3616 20.6612 99.4281 20.9968 28.3617 20.9968 21.7109 GPRESSAVG: 1015600 -80.052 18.6889 28.5878 21.298 100.909 19.8783 28.85 20.5171 20.2257 TIMING: 1015600 CPU: 3197.91, 0.00316107/step Wall: 3197.91, 0.00316107/step, 3.4986 hours remaining, 236.523438 MB of memory in use. ENERGY: 1015600 3996.9910 20435.6841 14511.7917 256.1202 -203060.4784 2260.5572 0.0000 0.0000 52188.0037 -109411.3304 299.9252 -161599.3341 -109044.9393 299.5880 61.0378 91.5330 760396.9196 13.5831 13.6944 PRESSURE: 1015800 -268.474 -169.216 1.71589 -169.216 -356.452 -116.548 1.71602 -116.549 28.4134 GPRESSURE: 1015800 -235.76 -64.5729 -1.37092 -197.728 -357.128 -30.303 20.2763 -135.976 76.2121 PRESSAVG: 1015800 -31.1127 -13.3641 5.46624 -13.3641 -9.65768 3.20298 5.46622 3.20289 -3.86527 GPRESSAVG: 1015800 -31.4342 -14.9646 5.7271 -13.0433 -10.8838 3.18483 4.90614 3.6636 -2.7399 TIMING: 1015800 CPU: 3198.54, 0.00315866/step Wall: 3198.54, 0.00315866/step, 3.49576 hours remaining, 236.523438 MB of memory in use. ENERGY: 1015800 4005.8884 20589.3598 14498.6179 239.4518 -202767.3918 2103.3491 0.0000 0.0000 51942.1669 -109388.5580 298.5123 -161330.7249 -109029.7920 299.8294 -198.8376 -172.2253 760661.3690 -14.8786 -15.0193 PRESSURE: 1016000 209.517 75.5009 -9.51656 75.5 334.776 -128.68 -9.51606 -128.679 -63.5969 GPRESSURE: 1016000 257.587 -26.7868 -147.69 14.5801 419.413 -162.221 54.7894 -115.919 -107.635 PRESSAVG: 1016000 -29.6335 38.0305 1.38732 38.0306 14.1867 16.6076 1.38725 16.6076 14.5938 GPRESSAVG: 1016000 -29.5744 39.74 0.555587 38.3865 15.5558 15.354 1.28753 16.4392 13.6403 TIMING: 1016000 CPU: 3199.18, 0.00317456/step Wall: 3199.18, 0.00317456/step, 3.51318 hours remaining, 236.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1016000 4089.9167 20479.3160 14454.5542 250.6436 -203590.6703 2949.8361 0.0000 0.0000 52125.5906 -109240.8130 299.5665 -161366.4036 -108888.7065 299.7152 160.2323 189.7884 760385.7673 -0.2843 -0.1261 PRESSURE: 1016200 -127.738 16.9829 59.4956 16.9825 251.481 81.1712 59.495 81.1722 -220.49 GPRESSURE: 1016200 -110.423 -105.868 205.398 5.06926 248.161 51.3977 -60.5136 91.5878 -137.205 PRESSAVG: 1016200 -52.5006 10.9984 22.3716 10.9984 21.2369 -34.2262 22.3715 -34.2262 -20.8097 GPRESSAVG: 1016200 -51.5959 10.4845 23.3313 9.23499 20.3794 -33.0943 22.3383 -35.3784 -20.6513 TIMING: 1016200 CPU: 3199.81, 0.0031747/step Wall: 3199.81, 0.0031747/step, 3.51316 hours remaining, 236.523438 MB of memory in use. ENERGY: 1016200 4062.6681 20606.2140 14515.6002 257.7398 -203299.1663 2599.3147 0.0000 0.0000 52040.9925 -109216.6371 299.0803 -161257.6296 -108856.7532 299.8092 -32.2491 0.1775 760145.3873 -17.3578 -17.2893 LDB: ============= START OF LOAD BALANCING ============== 3212.21 LDB: ============== END OF LOAD BALANCING =============== 3212.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3212.21 LDB: ============= START OF LOAD BALANCING ============== 3212.53 LDB: Largest compute 7044 load 0.034178 is 17.4% of average load 0.196033 LDB: Average compute 0.004349 is 2.2% of average load 0.196033 LDB: TIME 3212.54 LOAD: AVG 0.196033 MAX 0.217557 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.074 MB LDB: TIME 3212.54 LOAD: AVG 0.196033 MAX 0.217557 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.281 MB LDB: TIME 3212.54 LOAD: AVG 0.196033 MAX 0.217557 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3212.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3212.54 PRESSURE: 1016400 145.407 -322.382 -17.0286 -322.382 -382.451 -54.3968 -17.0292 -54.3971 -27.0374 GPRESSURE: 1016400 146.065 -290.251 -35.9863 -356.283 -359.673 -19.8706 -39.3146 21.0764 29.9649 PRESSAVG: 1016400 18.4559 -2.25592 -15.5617 -2.25597 10.0192 -12.5378 -15.5618 -12.5378 11.2021 GPRESSAVG: 1016400 18.3272 -3.76357 -16.0168 -2.4974 10.3094 -13.5743 -13.5848 -10.0178 10.6756 TIMING: 1016400 CPU: 3200.46, 0.00324835/step Wall: 3200.46, 0.00324835/step, 3.59448 hours remaining, 235.957031 MB of memory in use. ENERGY: 1016400 3967.0254 20398.0424 14503.1903 276.2397 -203445.5990 2508.0732 0.0000 0.0000 52315.2295 -109477.7985 300.6563 -161793.0281 -109112.0726 299.4067 -88.0272 -61.2145 761170.0950 13.2257 13.1041 PRESSURE: 1016600 -22.3681 -317.181 -183.814 -317.182 -65.74 65.3112 -183.814 65.3125 -47.9001 GPRESSURE: 1016600 -52.3658 -126.79 -161.408 -273.761 35.2217 193.551 -80.3743 102.504 -29.0471 PRESSAVG: 1016600 -27.7062 -15.035 -48.0782 -15.035 -11.1013 12.118 -48.0783 12.1179 38.4275 GPRESSAVG: 1016600 -27.7924 -14.6729 -48.3754 -12.1414 -10.7143 13.7484 -47.2586 8.56714 37.8977 TIMING: 1016600 CPU: 3201.1, 0.00319647/step Wall: 3201.1, 0.00319647/step, 3.5369 hours remaining, 236.160156 MB of memory in use. ENERGY: 1016600 3990.3899 20601.8172 14522.0976 252.1612 -203087.6054 2435.4507 0.0000 0.0000 52207.6856 -109078.0031 300.0383 -161285.6888 -108705.8538 300.1505 -45.3361 -15.3971 761517.9094 -0.1267 -0.2030 PRESSURE: 1016800 -150.749 36.3421 -20.1963 36.3421 -139.076 -29.1529 -20.196 -29.1533 319.529 GPRESSURE: 1016800 -114.504 66.8778 31.4937 -56.4894 -107.266 31.6967 -140.182 -33.6985 340.872 PRESSAVG: 1016800 -5.34522 29.475 -47.749 29.475 37.6983 10.6728 -47.749 10.6728 1.60852 GPRESSAVG: 1016800 -5.65833 30.9182 -47.1564 26.7569 37.7343 8.48853 -50.4583 12.2088 2.00514 TIMING: 1016800 CPU: 3201.73, 0.00315628/step Wall: 3201.73, 0.00315628/step, 3.49225 hours remaining, 236.160156 MB of memory in use. ENERGY: 1016800 4057.7338 20673.7973 14532.2394 257.6952 -203175.4566 2515.3812 0.0000 0.0000 52258.4260 -108880.1837 300.3299 -161138.6097 -108520.9229 300.5205 9.9015 39.7007 760337.2651 11.3205 11.3604 PRESSURE: 1017000 -83.628 124.5 -39.4341 124.501 -214.09 -0.437177 -39.4343 -0.437553 -210.133 GPRESSURE: 1017000 -10.0234 113.826 -51.1686 137.624 -241.786 -65.4244 -21.3089 -154.181 -185.292 PRESSAVG: 1017000 -30.0929 -11.3753 -74.3725 -11.3753 24.4364 1.70466 -74.3725 1.70466 16.1354 GPRESSAVG: 1017000 -29.5325 -12.6826 -75.0356 -10.4843 24.2004 5.45852 -73.2716 0.428523 15.3553 TIMING: 1017000 CPU: 3202.37, 0.00317363/step Wall: 3202.37, 0.00317363/step, 3.51126 hours remaining, 236.160156 MB of memory in use. ENERGY: 1017000 3933.6762 20562.9574 14412.5465 246.3363 -202784.2699 2196.3444 0.0000 0.0000 52247.2768 -109185.1324 300.2658 -161432.4092 -108816.8874 300.4016 -169.2840 -145.7005 762762.1469 3.4930 3.3411 PRESSURE: 1017200 -356.664 104.355 416.61 104.354 42.1813 27.097 416.61 27.0958 -109.94 GPRESSURE: 1017200 -315.696 35.8395 340.919 51.9781 55.4669 -41.1419 327.16 15.4233 -75.9303 PRESSAVG: 1017200 -29.0831 -34.9228 11.1697 -34.9228 28.269 16.1241 11.1696 16.1242 29.532 GPRESSAVG: 1017200 -28.4219 -33.6629 11.2173 -34.8461 27.6966 13.9219 10.9603 16.3295 30.0409 TIMING: 1017200 CPU: 3203, 0.00316302/step Wall: 3203, 0.00316302/step, 3.49935 hours remaining, 236.160156 MB of memory in use. ENERGY: 1017200 3978.9887 20430.2515 14498.3499 253.5809 -202788.3735 2159.1289 0.0000 0.0000 52299.8378 -109168.2357 300.5679 -161468.0736 -108799.8999 300.2458 -141.4742 -112.0533 762910.8784 9.5726 9.7719 PRESSURE: 1017400 -463.818 -73.916 350.794 -73.916 -74.3048 -397.203 350.793 -397.203 -8.44544 GPRESSURE: 1017400 -438.906 -150.073 337.999 -23.7935 -21.4406 -382.168 265.995 -318.002 15.7563 PRESSAVG: 1017400 -3.38619 1.03211 27.467 1.03211 5.69627 10.3271 27.467 10.3271 0.488477 GPRESSAVG: 1017400 -3.64643 0.427605 28.8392 -0.025039 5.95228 10.427 27.4638 11.6119 0.61276 TIMING: 1017400 CPU: 3203.64, 0.00318079/step Wall: 3203.64, 0.00318079/step, 3.51883 hours remaining, 236.160156 MB of memory in use. ENERGY: 1017400 3978.6293 20364.4626 14518.9932 250.5560 -203080.9473 2390.8481 0.0000 0.0000 52195.0839 -109382.3743 299.9659 -161577.4582 -109017.0017 299.8993 -182.1894 -148.1968 762212.6354 0.9329 0.9729 PRESSURE: 1017600 -535.451 226.779 -6.2348 226.781 -25.327 50.5105 -6.23508 50.5095 28.1807 GPRESSURE: 1017600 -433.716 306.898 -40.2952 242.719 -82.8912 72.9575 97.373 -51.0816 67.7524 PRESSAVG: 1017600 -67.6534 -30.1014 34.1381 -30.1014 69.1854 -15.09 34.1381 -15.0901 -1.55429 GPRESSAVG: 1017600 -67.4988 -30.5408 32.7831 -28.7132 68.0778 -14.9431 34.7917 -14.5179 -1.13219 TIMING: 1017600 CPU: 3204.27, 0.00315279/step Wall: 3204.27, 0.00315279/step, 3.48769 hours remaining, 236.160156 MB of memory in use. ENERGY: 1017600 3948.4803 20570.3540 14505.5310 228.7141 -203023.0619 2217.7052 0.0000 0.0000 52250.7191 -109301.5581 300.2856 -161552.2772 -108938.9752 300.0251 -177.5326 -149.6183 761170.4873 -0.0074 -0.1844 PRESSURE: 1017800 -284.862 -2.20262 -40.8763 -2.20269 121.006 -1.14492 -40.8762 -1.14399 292.071 GPRESSURE: 1017800 -275.288 -43.8176 -24.9096 -17.9093 183.902 19.5504 6.99355 -63.8732 284.559 PRESSAVG: 1017800 -14.638 0.201412 5.87813 0.201428 -5.49264 2.32662 5.8781 2.32661 7.09456 GPRESSAVG: 1017800 -14.0588 0.107838 6.2651 -0.186937 -6.2603 2.68555 5.20416 -0.419708 6.51361 TIMING: 1017800 CPU: 3204.9, 0.00316914/step Wall: 3204.9, 0.00316913/step, 3.50559 hours remaining, 236.160156 MB of memory in use. ENERGY: 1017800 3980.6950 20581.9156 14386.2394 223.5676 -203230.6608 2477.2971 0.0000 0.0000 52175.8470 -109405.0991 299.8553 -161580.9461 -109030.4089 299.9214 42.7387 64.3910 761924.3593 -4.3453 -4.6018 PRESSURE: 1018000 151.274 -2.87249 104.412 -2.87135 301.401 -180.759 104.413 -180.757 114.106 GPRESSURE: 1018000 142.444 84.7886 117.546 87.9545 331.229 -162.826 32.7619 -238.993 184.907 PRESSAVG: 1018000 -13.2646 -42.6851 76.1792 -42.6851 -13.5573 -9.67332 76.1792 -9.67314 13.91 GPRESSAVG: 1018000 -13.3333 -42.0545 76.6775 -42.1884 -13.3195 -8.23359 74.3942 -10.4844 14.1908 TIMING: 1018000 CPU: 3205.54, 0.00317541/step Wall: 3205.54, 0.00317541/step, 3.51236 hours remaining, 236.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1018000 4001.9004 20547.9769 14527.5640 243.1742 -203342.3848 2540.8978 0.0000 0.0000 51993.8557 -109487.0158 298.8094 -161480.8715 -109132.3594 299.6160 188.9271 219.5267 761000.8568 -4.3040 -4.1540 PRESSURE: 1018200 16.9488 -65.7961 -161.279 -65.7955 190.97 63.4125 -161.279 63.4131 235.819 GPRESSURE: 1018200 40.4615 -67.7175 -52.0361 -152.643 168.827 44.0241 -145.185 -57.7561 313.069 PRESSAVG: 1018200 40.3583 -10.9251 46.5111 -10.925 -19.7557 47.0142 46.5111 47.0143 17.8319 GPRESSAVG: 1018200 39.9056 -11.1108 46.4793 -12.0342 -19.8771 44.7933 47.2483 50.612 18.2549 TIMING: 1018200 CPU: 3206.17, 0.00315832/step Wall: 3206.17, 0.00315832/step, 3.49327 hours remaining, 236.160156 MB of memory in use. ENERGY: 1018200 4012.1798 20631.5954 14469.7741 254.3222 -203365.6539 2569.1487 0.0000 0.0000 52196.8358 -109231.7980 299.9759 -161428.6338 -108863.9049 299.4454 147.9125 174.1191 762659.6130 12.8115 12.7611 PRESSURE: 1018400 136.401 -129.393 -40.7189 -129.393 -63.0853 71.086 -40.72 71.0852 173.22 GPRESSURE: 1018400 190.811 -47.4508 -149.918 -148.276 -66.8303 59.0493 -54.9109 106.807 203.712 PRESSAVG: 1018400 -32.3754 7.72329 52.2575 7.72328 54.3835 -2.08943 52.2576 -2.08935 -26.0097 GPRESSAVG: 1018400 -31.4242 6.73508 53.3452 9.69306 53.847 -2.81012 50.9761 -2.83488 -26.5353 TIMING: 1018400 CPU: 3206.8, 0.00315754/step Wall: 3206.8, 0.00315754/step, 3.49224 hours remaining, 236.160156 MB of memory in use. ENERGY: 1018400 3912.8617 20686.3623 14407.9724 249.8404 -203699.8001 2756.5149 0.0000 0.0000 51989.9444 -109696.3039 298.7869 -161686.2483 -109335.9114 299.3679 82.1786 109.2308 762792.5701 -1.3339 -1.3708 PRESSURE: 1018600 -55.6535 261.916 -18.8046 261.916 -237.906 41.4569 -18.8047 41.4569 235.931 GPRESSURE: 1018600 12.1318 100.62 -113.859 131.523 -133.888 -138.895 -7.13507 184.9 149.677 PRESSAVG: 1018600 61.7115 -14.4152 -14.266 -14.4151 -26.6362 -17.2337 -14.266 -17.2336 17.5937 GPRESSAVG: 1018600 61.48 -14.9391 -15.5298 -13.387 -25.5023 -17.6624 -12.089 -16.061 17.3178 TIMING: 1018600 CPU: 3207.43, 0.00315508/step Wall: 3207.43, 0.00315508/step, 3.48934 hours remaining, 236.160156 MB of memory in use. ENERGY: 1018600 4004.3935 20481.9007 14412.8605 245.1780 -203903.4864 2767.2924 0.0000 0.0000 52230.6337 -109761.2277 300.1702 -161991.8614 -109393.7257 298.8812 -19.2094 9.3070 761656.5725 17.5563 17.7652 PRESSURE: 1018800 143.567 -26.3444 -148.926 -26.345 -306.48 74.6224 -148.926 74.6223 11.3888 GPRESSURE: 1018800 184.583 -83.8839 -119.482 -52.9208 -282.63 31.958 -87.8528 204.859 30.6119 PRESSAVG: 1018800 68.4608 -60.8028 -49.7117 -60.8028 -36.3414 68.4882 -49.7117 68.4882 7.48209 GPRESSAVG: 1018800 68.6591 -59.4755 -49.3819 -63.2298 -36.1562 69.5025 -50.5458 68.4303 7.28908 TIMING: 1018800 CPU: 3208.06, 0.00317709/step Wall: 3208.06, 0.00317709/step, 3.51351 hours remaining, 236.160156 MB of memory in use. ENERGY: 1018800 3943.0456 20613.6300 14491.8652 251.5177 -203925.6955 2772.9995 0.0000 0.0000 52182.3617 -109670.2759 299.8927 -161852.6375 -109301.9129 299.0452 -50.5082 -22.4782 761072.1632 13.2005 13.2640 PRESSURE: 1019000 -289.319 -8.22 135.769 -8.21992 192.314 -83.6055 135.769 -83.605 -124.569 GPRESSURE: 1019000 -279.725 -49.5511 57.4211 -115.18 259.145 -132.806 69.2069 -168.614 -115.404 PRESSAVG: 1019000 -13.3991 -63.3397 11.3882 -63.3397 50.1387 -29.7964 11.3882 -29.7964 0.383932 GPRESSAVG: 1019000 -13.9869 -63.0716 11.6248 -64.6371 50.542 -30.2261 12.2966 -29.772 1.0755 TIMING: 1019000 CPU: 3208.7, 0.00316535/step Wall: 3208.7, 0.00316535/step, 3.50035 hours remaining, 236.160156 MB of memory in use. ENERGY: 1019000 4014.5066 20632.2974 14412.4106 208.8889 -203549.7552 2552.1762 0.0000 0.0000 52067.2372 -109662.2383 299.2311 -161729.4755 -109295.2252 299.5734 -73.8582 -45.3280 762353.3187 12.3745 12.5436 PRESSURE: 1019200 -185.015 -123.383 25.112 -123.384 -162.2 24.5617 25.1113 24.5609 449.604 GPRESSURE: 1019200 -190.441 -63.3201 5.80325 -290.797 -69.7296 95.9477 -25.745 -24.8893 460.289 PRESSAVG: 1019200 -47.8233 -47.5241 34.0178 -47.5241 42.2211 49.0079 34.0178 49.0078 21.1638 GPRESSAVG: 1019200 -48.8127 -46.6226 33.7082 -47.3076 43.5414 49.383 33.3695 46.52 21.0468 TIMING: 1019200 CPU: 3209.33, 0.00317424/step Wall: 3209.33, 0.00317424/step, 3.51001 hours remaining, 236.160156 MB of memory in use. ENERGY: 1019200 3950.1258 20668.8057 14475.2242 253.5644 -204014.0906 2862.6077 0.0000 0.0000 52023.5873 -109780.1754 298.9803 -161803.7627 -109424.9260 299.3602 34.1296 66.7062 759858.7564 5.1872 5.2585 PRESSURE: 1019400 53.8701 -56.5889 132.301 -56.589 321.641 114.308 132.302 114.307 -67.1095 GPRESSURE: 1019400 103.181 -69.8635 194.54 0.0578766 327.655 143.393 98.4517 216.329 -44.7498 PRESSAVG: 1019400 -75.8161 -83.7821 -3.57849 -83.7821 54.9771 16.2393 -3.5785 16.2393 -13.3286 GPRESSAVG: 1019400 -75.9924 -84.6102 -2.25276 -80.9275 54.9846 15.3253 -6.48532 19.8784 -12.9368 TIMING: 1019400 CPU: 3209.97, 0.00318894/step Wall: 3209.97, 0.00318894/step, 3.52609 hours remaining, 236.160156 MB of memory in use. ENERGY: 1019400 4003.9775 20655.1049 14441.3125 255.8785 -204125.2293 2952.4383 0.0000 0.0000 52128.3170 -109688.2006 299.5822 -161816.5177 -109331.4347 299.4326 102.8004 128.6953 760077.2587 -11.3892 -11.3149 PRESSURE: 1019600 -157.067 -3.09285 113.925 -3.0919 179.115 -77.1288 113.925 -77.1278 81.6072 GPRESSURE: 1019600 -151.345 -32.6381 145.986 12.1808 178.184 -133.578 35.3496 20.3977 157.707 PRESSAVG: 1019600 -59.8543 -65.0605 -28.9081 -65.0605 22.4265 46.3971 -28.908 46.397 -2.34341 GPRESSAVG: 1019600 -59.0577 -64.3422 -28.0765 -66.1795 21.5159 47.5313 -25.8964 43.2121 -2.63135 TIMING: 1019600 CPU: 3210.61, 0.00320157/step Wall: 3210.61, 0.00320157/step, 3.53987 hours remaining, 236.160156 MB of memory in use. ENERGY: 1019600 4017.9908 20343.7382 14504.8096 248.6573 -203432.3007 2564.8352 0.0000 0.0000 52127.5940 -109624.6755 299.5780 -161752.2695 -109257.6143 299.1656 34.5515 61.5154 763265.7952 -13.2571 -13.3910 PRESSURE: 1019800 394.052 -85.4383 16.7692 -85.4386 -28.6036 24.8153 16.7689 24.8153 -339.948 GPRESSURE: 1019800 321.647 -104.019 -2.39466 -54.5141 0.592155 1.64682 -61.674 123.967 -222.663 PRESSAVG: 1019800 -1.29461 -32.291 -3.58242 -32.291 -3.65035 30.1024 -3.58239 30.1025 29.8218 GPRESSAVG: 1019800 -2.64094 -31.4986 -4.75094 -32.8831 -3.45477 29.8486 -2.56032 32.0456 31.042 TIMING: 1019800 CPU: 3211.25, 0.00318314/step Wall: 3211.25, 0.00318314/step, 3.51932 hours remaining, 236.160156 MB of memory in use. ENERGY: 1019800 3941.1304 20546.8588 14474.9277 246.6148 -203521.2122 2478.6890 0.0000 0.0000 52000.4032 -109832.5884 298.8470 -161832.9916 -109476.3702 299.3661 8.5001 33.1922 760164.8837 8.2923 8.3154 PRESSURE: 1020000 -167.162 -87.3123 -52.2225 -87.3116 167.968 113.444 -52.2234 113.444 -7.69448 GPRESSURE: 1020000 -166.554 -38.5863 34.1353 -7.92125 278.551 50.1606 -53.3372 127.906 -33.1923 PRESSAVG: 1020000 -54.0083 -51.9382 -20.1012 -51.9382 59.7565 54.7116 -20.1013 54.7117 -35.9274 GPRESSAVG: 1020000 -53.1943 -51.7844 -20.7136 -50.5752 59.8546 55.5573 -21.3829 53.2654 -36.6655 TIMING: 1020000 CPU: 3211.88, 0.00316192/step Wall: 3211.88, 0.00316192/step, 3.49568 hours remaining, 236.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1020000 4035.1384 20466.7346 14517.7210 256.0781 -203715.3784 2542.1171 0.0000 0.0000 51845.6485 -110051.9406 297.9577 -161897.5891 -109693.8983 298.8343 -2.2963 26.2684 759357.6542 -10.0597 -10.0017 PRESSURE: 1020200 -126.471 128.251 -202.748 128.252 -60.0921 194.572 -202.748 194.572 44.9065 GPRESSURE: 1020200 -50.2631 63.9636 -292.077 31.5262 -85.5307 161.233 -29.9628 130.932 75.6784 PRESSAVG: 1020200 -7.06571 -47.833 18.6383 -47.8331 15.0852 43.1699 18.6384 43.1699 0.27194 GPRESSAVG: 1020200 -6.68854 -49.6803 17.9395 -45.9528 15.1172 40.8706 21.4875 43.6665 -0.319719 TIMING: 1020200 CPU: 3212.51, 0.00315414/step Wall: 3212.51, 0.00315414/step, 3.4869 hours remaining, 236.160156 MB of memory in use. ENERGY: 1020200 4007.1207 20377.1244 14452.4104 238.5042 -203599.5639 2554.6298 0.0000 0.0000 52105.1559 -109864.6185 299.4490 -161969.7745 -109500.7217 298.2850 -47.2188 -20.0385 760969.8664 2.7638 2.7030 LDB: ============= START OF LOAD BALANCING ============== 3224.91 LDB: ============== END OF LOAD BALANCING =============== 3224.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3224.91 LDB: ============= START OF LOAD BALANCING ============== 3225.23 LDB: Largest compute 7034 load 0.032172 is 16.4% of average load 0.196009 LDB: Average compute 0.004349 is 2.2% of average load 0.196009 LDB: TIME 3225.23 LOAD: AVG 0.196009 MAX 0.214482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.469 MB LDB: TIME 3225.23 LOAD: AVG 0.196009 MAX 0.214482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.672 MB LDB: TIME 3225.23 LOAD: AVG 0.196009 MAX 0.214482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.672 MB LDB: ============== END OF LOAD BALANCING =============== 3225.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3225.24 PRESSURE: 1020400 26.2913 -91.9527 293.601 -91.9532 230.928 -5.58084 293.601 -5.5803 233.674 GPRESSURE: 1020400 86.0897 -76.627 259.411 43.7354 224.104 -22.248 285.681 -20.7846 260.072 PRESSAVG: 1020400 24.2091 15.3695 -73.1143 15.3694 17.7116 -9.70057 -73.1143 -9.70056 -9.93171 GPRESSAVG: 1020400 24.1939 17.9198 -71.8926 12.6971 17.025 -8.8705 -73.7821 -8.96104 -9.16632 TIMING: 1020400 CPU: 3213.16, 0.00323516/step Wall: 3213.16, 0.00323516/step, 3.57629 hours remaining, 236.265625 MB of memory in use. ENERGY: 1020400 3899.8286 20643.0046 14514.7533 240.6682 -203643.9333 2666.0450 0.0000 0.0000 51983.1560 -109696.4777 298.7479 -161679.6337 -109334.5659 298.8875 163.6311 190.0886 760404.1006 10.6630 10.6842 PRESSURE: 1020600 -148.802 -125.555 -95.5072 -125.555 380.533 33.358 -95.5067 33.3573 336.009 GPRESSURE: 1020600 -83.1905 -140.772 -79.6895 -111.906 399.071 -35.6939 -76.6112 -17.1888 333.275 PRESSAVG: 1020600 -26.5605 -16.351 -25.6007 -16.3511 23.2458 -24.2128 -25.6007 -24.2127 21.5542 GPRESSAVG: 1020600 -27.8937 -18.0023 -26.5868 -15.6568 23.6514 -22.5378 -26.5001 -25.8713 22.5773 TIMING: 1020600 CPU: 3213.79, 0.00318305/step Wall: 3213.79, 0.00318305/step, 3.51851 hours remaining, 236.265625 MB of memory in use. ENERGY: 1020600 4033.1367 20426.0067 14461.1409 253.9330 -203724.4750 2685.4989 0.0000 0.0000 52145.0070 -109719.7519 299.6781 -161864.7589 -109351.4413 298.6639 189.2466 216.3852 759127.9064 6.0798 6.1116 PRESSURE: 1020800 112.463 -139.554 -82.145 -139.554 -277.338 4.44035 -82.1447 4.44033 -120.408 GPRESSURE: 1020800 164.068 -151.45 -117.144 -91.378 -350.925 95.4134 -32.3284 -12.3833 -36.1221 PRESSAVG: 1020800 2.9782 -48.3353 -34.3752 -48.3353 -52.032 -0.0691762 -34.3753 -0.0693216 4.83245 GPRESSAVG: 1020800 3.63939 -47.3879 -35.2087 -49.8876 -51.5127 -0.976309 -36.2216 0.988159 3.70199 TIMING: 1020800 CPU: 3214.43, 0.0031851/step Wall: 3214.43, 0.0031851/step, 3.52059 hours remaining, 236.265625 MB of memory in use. ENERGY: 1020800 3919.7021 20558.8114 14419.4884 258.0640 -203271.5870 2557.4556 0.0000 0.0000 51857.5230 -109700.5424 298.0259 -161558.0654 -109340.8449 299.0467 -95.0943 -74.3261 761468.9535 -14.7405 -14.7238 PRESSURE: 1021000 136.953 -156.826 -235.549 -156.826 70.2649 11.1637 -235.549 11.1646 631.873 GPRESSURE: 1021000 254.716 -79.3003 -89.0642 -140.275 33.6866 69.4903 -226.574 98.9432 619.301 PRESSAVG: 1021000 5.9533 -15.3852 -83.0709 -15.3853 -8.11171 13.5604 -83.071 13.5604 -7.16778 GPRESSAVG: 1021000 7.74574 -15.6504 -82.5893 -12.2698 -8.43443 13.6378 -78.4175 14.0181 -8.0186 TIMING: 1021000 CPU: 3215.07, 0.00317775/step Wall: 3215.07, 0.00317775/step, 3.5123 hours remaining, 236.265625 MB of memory in use. ENERGY: 1021000 3944.4810 20588.9436 14470.6102 259.5636 -203285.3738 2414.7458 0.0000 0.0000 52109.9052 -109497.1245 299.4763 -161607.0296 -109133.5160 299.2465 279.6969 302.5680 760126.5889 -3.1087 -2.9024 PRESSURE: 1021200 -419.795 161.312 19.017 161.311 -52.9627 -133.942 19.0181 -133.942 -429.296 GPRESSURE: 1021200 -393.503 166.942 56.138 36.7933 -74.4789 -86.2477 7.47863 -58.7121 -356.745 PRESSAVG: 1021200 15.9782 -3.86498 -62.0275 -3.86499 10.6238 47.1136 -62.0275 47.1137 0.508916 GPRESSAVG: 1021200 14.5256 -2.02197 -60.6852 -7.41921 9.61055 47.949 -64.4055 45.7902 2.70982 TIMING: 1021200 CPU: 3215.7, 0.00318735/step Wall: 3215.7, 0.00318735/step, 3.52273 hours remaining, 236.265625 MB of memory in use. ENERGY: 1021200 3990.6471 20358.6700 14469.8528 233.7917 -203445.6898 2495.4373 0.0000 0.0000 52228.9719 -109668.3188 300.1606 -161897.2907 -109305.6765 299.1434 -300.6844 -274.9091 760550.7743 9.0370 8.9487 PRESSURE: 1021400 -520.766 273.628 23.8352 273.627 128.529 -101.166 23.8351 -101.167 -590.822 GPRESSURE: 1021400 -477.965 138.067 131.782 285.704 143.109 -40.3315 -115.972 10.5887 -552.914 PRESSAVG: 1021400 -42.2751 -23.0917 -27.259 -23.0918 38.1093 0.233026 -27.2591 0.233033 6.78318 GPRESSAVG: 1021400 -42.0538 -26.5831 -28.9781 -20.7686 39.8236 -0.728014 -28.7613 0.98619 5.1995 TIMING: 1021400 CPU: 3216.34, 0.00316638/step Wall: 3216.34, 0.00316638/step, 3.49938 hours remaining, 236.265625 MB of memory in use. ENERGY: 1021400 4042.1387 20347.2882 14537.2018 245.8461 -202874.5030 2296.9631 0.0000 0.0000 51779.2677 -109625.7973 297.5762 -161405.0651 -109267.4035 299.0434 -327.6862 -295.9233 761566.1280 0.8725 0.9898 PRESSURE: 1021600 -164.241 -42.8087 -194.438 -42.8085 102.138 -331.63 -194.438 -331.63 130.34 GPRESSURE: 1021600 -12.1048 -19.7971 -174.878 -2.65136 -10.0177 -265.722 -58.3618 -204.298 170.269 PRESSAVG: 1021600 -42.2939 -17.8049 -23.3551 -17.805 62.1606 -19.0358 -23.355 -19.0358 13.5869 GPRESSAVG: 1021600 -41.7397 -15.5785 -22.0855 -19.2273 61.326 -17.5619 -24.4529 -19.3694 13.8659 TIMING: 1021600 CPU: 3216.98, 0.00319887/step Wall: 3216.98, 0.00319887/step, 3.5351 hours remaining, 236.265625 MB of memory in use. ENERGY: 1021600 3947.4912 20338.7660 14376.3709 250.1723 -202978.0714 2331.5212 0.0000 0.0000 52000.2926 -109733.4572 298.8464 -161733.7498 -109367.3949 298.7806 22.7457 49.3823 760452.9636 11.1512 11.1507 PRESSURE: 1021800 -9.74642 68.9461 -143.917 68.9462 73.7726 203.117 -143.917 203.119 -141.644 GPRESSURE: 1021800 33.5465 10.6958 -145.402 185.706 139.64 139.965 -62.2401 205.938 -164.686 PRESSAVG: 1021800 71.8374 17.3629 -23.9421 17.3629 -2.3776 15.7694 -23.9421 15.7693 -17.1956 GPRESSAVG: 1021800 71.957 15.3535 -23.4152 20.1469 -2.05129 12.3898 -21.5704 18.3875 -17.1983 TIMING: 1021800 CPU: 3217.61, 0.00317212/step Wall: 3217.61, 0.00317212/step, 3.50537 hours remaining, 236.265625 MB of memory in use. ENERGY: 1021800 4018.4152 20404.8539 14494.3527 245.7835 -203212.3349 2478.7214 0.0000 0.0000 52074.1028 -109496.1054 299.2706 -161570.2082 -109140.9892 299.2651 -25.8727 2.8337 759579.4363 17.4214 17.5691 PRESSURE: 1022000 -377.503 104.623 178.993 104.624 -267.842 -169.305 178.993 -169.305 -145.256 GPRESSURE: 1022000 -332.208 152.892 144.828 86.1739 -181.883 -129.568 41.6086 -157.116 -179.443 PRESSAVG: 1022000 10.3893 -68.379 27.3342 -68.379 -12.9324 -56.3382 27.3341 -56.3382 15.9785 GPRESSAVG: 1022000 9.37207 -68.5011 25.8163 -70.8066 -12.6691 -55.2069 25.8515 -59.4255 16.952 TIMING: 1022000 CPU: 3218.24, 0.00315557/step Wall: 3218.24, 0.00315557/step, 3.4869 hours remaining, 236.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1022000 4019.0296 20480.7288 14473.3747 262.7439 -203000.5374 2246.9046 0.0000 0.0000 52279.7218 -109238.0341 300.4523 -161517.7559 -108873.4236 300.0681 -263.5336 -231.1777 759848.0897 4.4785 4.5516 PRESSURE: 1022200 -103.477 124.851 233.967 124.851 118.244 148.299 233.967 148.299 3.77276 GPRESSURE: 1022200 -81.35 45.3459 47.079 134.667 185.189 175.761 174.062 221.486 -21.7327 PRESSAVG: 1022200 -39.5922 -52.1158 3.82022 -52.1157 32.3651 3.57676 3.82022 3.57684 10.1702 GPRESSAVG: 1022200 -38.698 -50.3055 3.7614 -51.1379 32.3776 4.40053 4.23477 4.29448 9.83148 TIMING: 1022200 CPU: 3218.88, 0.00317751/step Wall: 3218.88, 0.00317751/step, 3.51097 hours remaining, 236.265625 MB of memory in use. ENERGY: 1022200 3986.9719 20585.6266 14405.1877 257.1721 -203143.2459 2409.7007 0.0000 0.0000 52183.8091 -109314.7778 299.9011 -161498.5870 -108954.5903 300.3666 6.1802 27.3689 761841.1670 0.9810 1.1704 PRESSURE: 1022400 -172.618 -96.1263 29.8959 -96.126 -264.884 184.882 29.8952 184.881 125.326 GPRESSURE: 1022400 -144.284 -203.602 96.3123 -43.6119 -139.74 165.943 12.4434 81.6105 45.3434 PRESSAVG: 1022400 76.2676 -10.903 -3.73383 -10.903 4.77573 8.09865 -3.73382 8.0986 -4.68691 GPRESSAVG: 1022400 75.049 -12.3541 -2.99282 -11.5494 5.49753 8.67155 -3.37783 7.91939 -3.99361 TIMING: 1022400 CPU: 3219.51, 0.00317637/step Wall: 3219.51, 0.00317637/step, 3.50954 hours remaining, 236.265625 MB of memory in use. ENERGY: 1022400 4007.1497 20456.1131 14512.0539 262.4106 -203529.0520 2759.5949 0.0000 0.0000 52002.6280 -109529.1017 298.8598 -161531.7297 -109158.5735 299.4157 -104.0587 -79.5601 761465.2755 25.4521 25.5176 PRESSURE: 1022600 130.773 46.4858 14.7549 46.4849 -161.127 113.164 14.755 113.164 264.279 GPRESSURE: 1022600 150.237 120.065 202.448 58.3916 -159.382 101.64 15.296 84.362 318.867 PRESSAVG: 1022600 22.2326 12.1753 -7.77336 12.1754 -21.8465 18.656 -7.77339 18.656 13.6304 GPRESSAVG: 1022600 22.2637 12.0638 -5.87009 15.0581 -21.3344 16.4998 -7.55165 18.7965 13.9019 TIMING: 1022600 CPU: 3220.15, 0.0031753/step Wall: 3220.15, 0.0031753/step, 3.50818 hours remaining, 236.265625 MB of memory in use. ENERGY: 1022600 3957.4545 20481.7674 14430.3884 253.5226 -203343.9131 2700.8427 0.0000 0.0000 51842.3659 -109677.5717 297.9388 -161519.9376 -109323.3910 298.9222 77.9751 103.2408 761444.5673 4.6722 4.9437 PRESSURE: 1022800 152.287 -68.8998 -64.126 -68.8993 27.9313 -200.321 -64.1255 -200.322 140.086 GPRESSURE: 1022800 141.216 -156.876 -40.364 -114.328 140.222 -144.392 9.21997 -194.793 125.956 PRESSAVG: 1022800 -15.6887 29.5785 -1.98053 29.5784 -15.6605 5.58844 -1.98054 5.58836 16.9885 GPRESSAVG: 1022800 -15.3334 30.9406 -2.97705 27.4539 -16.1013 7.01092 -3.45558 6.65425 16.5324 TIMING: 1022800 CPU: 3220.78, 0.0031816/step Wall: 3220.78, 0.0031816/step, 3.51496 hours remaining, 236.265625 MB of memory in use. ENERGY: 1022800 3895.7678 20479.7619 14433.2748 222.9232 -203395.0131 2609.4168 0.0000 0.0000 52009.5383 -109744.3302 298.8995 -161753.8686 -109389.1204 298.6803 106.7683 135.7979 761139.0678 -4.7869 -4.9674 PRESSURE: 1023000 54.577 281.608 -100.86 281.608 -122.85 80.5511 -100.859 80.551 182.304 GPRESSURE: 1023000 124.563 166.576 -142.34 241.036 -97.6549 -49.1866 -182.931 14 180.43 PRESSAVG: 1023000 18.349 -17.1188 -17.6366 -17.1188 46.5589 -5.56192 -17.6366 -5.56197 -30.7357 GPRESSAVG: 1023000 19.4943 -16.9009 -17.9944 -16.7936 46.8557 -6.25158 -17.6925 -5.75524 -31.8179 TIMING: 1023000 CPU: 3221.42, 0.00318141/step Wall: 3221.42, 0.00318141/step, 3.51457 hours remaining, 236.265625 MB of memory in use. ENERGY: 1023000 3924.4455 20435.7004 14522.2314 251.7209 -203387.7359 2842.3726 0.0000 0.0000 51917.9922 -109493.2730 298.3734 -161411.2652 -109133.5526 299.0783 38.0104 69.1129 760967.6822 11.3907 11.5107 PRESSURE: 1023200 98.7856 -44.2731 11.9498 -44.2726 201.176 -232.988 11.9496 -232.988 164.736 GPRESSURE: 1023200 83.8992 -70.3472 -45.36 11.0399 269.804 -122.62 15.708 -214.367 203.916 PRESSAVG: 1023200 49.0807 88.4164 40.4782 88.4164 -29.9824 -6.44773 40.4781 -6.44776 16.4303 GPRESSAVG: 1023200 46.9595 88.5507 40.6731 87.1786 -29.5844 -5.65172 40.9811 -6.01176 17.809 TIMING: 1023200 CPU: 3222.05, 0.00316508/step Wall: 3222.05, 0.00316508/step, 3.49636 hours remaining, 236.265625 MB of memory in use. ENERGY: 1023200 4042.9679 20322.0271 14476.6696 238.0297 -203549.4656 2776.8482 0.0000 0.0000 52085.4546 -109607.4685 299.3358 -161692.9230 -109243.9371 298.8683 154.8992 185.8730 759832.1457 11.8429 11.7280 PRESSURE: 1023400 88.2174 145.739 73.0878 145.74 222.126 -252.053 73.0872 -252.053 225.459 GPRESSURE: 1023400 38.6741 258.748 -10.11 148.533 339.077 -375.73 -12.4395 -229.646 248.684 PRESSAVG: 1023400 44.7107 1.93001 77.004 1.92995 -23.5691 -5.9353 77.0039 -5.93528 -25.4709 GPRESSAVG: 1023400 45.926 1.66174 78.0657 2.13572 -23.7214 -5.32829 75.5216 -6.65058 -26.5625 TIMING: 1023400 CPU: 3222.68, 0.00314113/step Wall: 3222.68, 0.00314113/step, 3.46973 hours remaining, 236.265625 MB of memory in use. ENERGY: 1023400 3981.0348 20206.4643 14489.3856 264.4114 -204044.2982 2969.2181 0.0000 0.0000 52317.1189 -109816.6652 300.6672 -162133.7841 -109447.9911 299.2447 178.6010 208.8116 759695.6362 -1.4431 -1.4526 PRESSURE: 1023600 -24.4946 17.7493 122.486 17.749 2.06964 -15.1313 122.487 -15.1311 -230.233 GPRESSURE: 1023600 -27.4454 -12.6507 116.712 -43.8363 -6.94142 -19.2373 106.399 -50.7553 -149.769 PRESSAVG: 1023600 62.0273 22.8794 34.8088 22.8794 -30.3199 -33.0153 34.8088 -33.0153 9.84816 GPRESSAVG: 1023600 62.5475 22.406 35.8222 24.4293 -30.8614 -32.1123 34.7397 -36.4041 9.81323 TIMING: 1023600 CPU: 3223.31, 0.00314967/step Wall: 3223.31, 0.00314967/step, 3.47898 hours remaining, 236.265625 MB of memory in use. ENERGY: 1023600 3919.7736 20384.3630 14455.7844 264.4466 -203353.3820 2371.4883 0.0000 0.0000 52140.1045 -109817.4216 299.6499 -161957.5261 -109455.3790 298.7486 -84.2194 -61.3852 760036.6327 13.8518 13.8331 PRESSURE: 1023800 -56.1528 -2.80094 -18.1643 -2.80134 -229.225 -151.816 -18.165 -151.814 -310.511 GPRESSURE: 1023800 17.1178 -21.717 -35.2189 -96.1019 -245.688 -118.234 -27.4969 -103.308 -280.153 PRESSAVG: 1023800 62.4057 -25.7633 -22.9468 -25.7632 -69.0164 23.5363 -22.9469 23.5364 0.24934 GPRESSAVG: 1023800 63.2821 -26.3523 -25.1041 -26.9591 -70.4856 21.8234 -20.7119 29.028 1.45822 TIMING: 1023800 CPU: 3223.94, 0.00315025/step Wall: 3223.94, 0.00315025/step, 3.47945 hours remaining, 236.265625 MB of memory in use. ENERGY: 1023800 3969.0960 20526.6375 14367.1195 258.0302 -203348.8242 2428.3981 0.0000 0.0000 52201.6065 -109597.9365 300.0033 -161799.5429 -109242.5478 299.6303 -198.6297 -169.5744 762917.2907 -2.1205 -1.9151 PRESSURE: 1024000 -96.1281 -215.093 -62.2413 -215.094 54.5975 197.314 -62.2404 197.313 160.731 GPRESSURE: 1024000 -107.185 -147.058 -56.1895 -229.455 188.838 237.632 -34.6532 151.834 131.92 PRESSAVG: 1024000 59.6464 -27.5168 8.27325 -27.5168 -29.7347 0.874541 8.27322 0.874586 -25.7262 GPRESSAVG: 1024000 59.7906 -29.0437 9.18861 -27.2281 -28.1515 0.665391 6.278 -0.0243438 -26.9664 TIMING: 1024000 CPU: 3224.57, 0.00315644/step Wall: 3224.57, 0.00315644/step, 3.48611 hours remaining, 236.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1024000 3942.7016 20613.2881 14509.6324 254.3417 -203711.9736 2796.2559 0.0000 0.0000 51852.5160 -109743.2380 297.9971 -161595.7539 -109390.1618 298.9893 39.7334 71.1913 761071.2669 1.3952 1.5576 PRESSURE: 1024200 -162.748 -95.3687 165.875 -95.3687 301.604 254.997 165.875 254.998 255.971 GPRESSURE: 1024200 -39.5867 -78.6512 154.929 2.39383 198.536 342.726 135.497 40.4585 318.005 PRESSAVG: 1024200 13.0616 -41.6187 -40.9238 -41.6187 -2.66537 65.7901 -40.9237 65.7902 -6.0423 GPRESSAVG: 1024200 13.9533 -41.2709 -41.7441 -39.1483 -4.53318 66.4482 -39.1593 63.7473 -5.09724 TIMING: 1024200 CPU: 3225.2, 0.00313723/step Wall: 3225.2, 0.00313723/step, 3.46472 hours remaining, 236.265625 MB of memory in use. ENERGY: 1024200 3976.6579 20465.2888 14521.1416 254.6389 -203417.3096 2551.2991 0.0000 0.0000 51853.3069 -109794.9764 298.0017 -161648.2833 -109436.3715 298.5196 131.6090 158.9848 760857.5341 1.4513 1.4409 LDB: ============= START OF LOAD BALANCING ============== 3237.6 LDB: ============== END OF LOAD BALANCING =============== 3237.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3237.6 LDB: ============= START OF LOAD BALANCING ============== 3237.92 LDB: Largest compute 7045 load 0.032719 is 16.7% of average load 0.195965 LDB: Average compute 0.004346 is 2.2% of average load 0.195965 LDB: TIME 3237.92 LOAD: AVG 0.195965 MAX 0.214843 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.805 MB LDB: TIME 3237.92 LOAD: AVG 0.195965 MAX 0.214843 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.805 MB LDB: TIME 3237.92 LOAD: AVG 0.195965 MAX 0.214843 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.805 MB LDB: ============== END OF LOAD BALANCING =============== 3237.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3237.93 PRESSURE: 1024400 8.8858 157.251 201.367 157.251 -51.2927 -176.675 201.367 -176.675 216.853 GPRESSURE: 1024400 -1.7229 175.401 226.925 83.0087 30.7223 -121.168 115.797 -200.097 233.641 PRESSAVG: 1024400 -25.4402 -36.3804 -44.5754 -36.3804 27.5643 -33.3144 -44.5755 -33.3145 -12.5483 GPRESSAVG: 1024400 -26.4144 -35.3842 -43.846 -37.545 28.6881 -34.1633 -45.2241 -33.4563 -12.5817 TIMING: 1024400 CPU: 3225.84, 0.00321732/step Wall: 3225.84, 0.00321732/step, 3.55299 hours remaining, 235.812500 MB of memory in use. ENERGY: 1024400 4003.8324 20310.7116 14463.3479 259.9714 -203321.6193 2372.8843 0.0000 0.0000 52136.5796 -109774.2920 299.6296 -161910.8716 -109412.5226 298.7081 58.1487 87.5466 759025.7976 -3.4747 -3.4360 PRESSURE: 1024600 -407.885 235.82 168.451 235.82 -59.2439 -61.2866 168.451 -61.2872 -375.451 GPRESSURE: 1024600 -310.812 288.606 193.387 118.388 -86.3504 31.3084 97.5582 -107.526 -352.598 PRESSAVG: 1024600 -32.143 22.8701 18.8943 22.8701 35.0072 -46.1882 18.8944 -46.1881 3.81899 GPRESSAVG: 1024600 -33.2529 23.419 19.0561 20.1997 35.0914 -47.0729 19.3053 -42.897 4.2488 TIMING: 1024600 CPU: 3226.47, 0.00314618/step Wall: 3226.47, 0.00314618/step, 3.47426 hours remaining, 235.812500 MB of memory in use. ENERGY: 1024600 4030.1853 20442.8241 14509.0574 253.3064 -203350.1438 2243.5376 0.0000 0.0000 52008.6143 -109862.6188 298.8942 -161871.2330 -109495.0990 298.8474 -280.8601 -249.9199 758833.3365 2.2277 2.0291 PRESSURE: 1024800 381.718 53.9044 32.9483 53.9042 109.548 -8.36211 32.9486 -8.36098 -12.861 GPRESSURE: 1024800 441.653 22.0946 -85.4235 10.3742 72.7631 -60.3914 -118.839 -174.768 38.8354 PRESSAVG: 1024800 29.0043 -32.7337 -48.2779 -32.7337 -23.7431 22.4937 -48.2779 22.4937 16.3337 GPRESSAVG: 1024800 30.242 -34.5645 -47.855 -30.0517 -23.6185 22.5576 -48.3037 22.8818 14.8972 TIMING: 1024800 CPU: 3227.1, 0.00314095/step Wall: 3227.1, 0.00314095/step, 3.4683 hours remaining, 235.812500 MB of memory in use. ENERGY: 1024800 3934.2224 20528.0772 14432.6543 240.1389 -203630.5921 2534.9574 0.0000 0.0000 51905.9696 -110054.5721 298.3043 -161960.5418 -109689.6876 298.7332 159.4681 184.4171 758884.7897 7.1983 7.1736 PRESSURE: 1025000 187.07 55.4484 -214.595 55.4479 56.0458 320.14 -214.596 320.138 290.739 GPRESSURE: 1025000 221.982 48.8618 -254.366 -11.3533 100.641 345.674 -225.27 292.779 310.446 PRESSAVG: 1025000 -6.39861 -40.7056 -8.89781 -40.7057 -0.128578 10.9657 -8.89779 10.9656 26.2827 GPRESSAVG: 1025000 -6.93735 -40.0503 -9.95175 -43.7842 0.498667 12.2943 -7.0693 7.23677 27.3141 TIMING: 1025000 CPU: 3227.73, 0.00315134/step Wall: 3227.73, 0.00315134/step, 3.4796 hours remaining, 235.812500 MB of memory in use. ENERGY: 1025000 3969.1565 20410.3353 14417.4115 252.7929 -204078.5806 2807.0048 0.0000 0.0000 52194.1637 -110027.7158 299.9606 -162221.8796 -109668.1658 298.9130 177.9516 211.0231 758759.0007 6.5852 6.9585 PRESSURE: 1025200 23.2582 -142.52 -47.5094 -142.52 -35.7605 164.673 -47.5096 164.672 103.355 GPRESSURE: 1025200 91.3162 -81.3882 2.43255 -214.698 13.307 117.632 -35.6637 39.3174 86.5548 PRESSAVG: 1025200 38.6851 -34.5035 0.570827 -34.5035 -30.591 -15.3377 0.570785 -15.3376 20.6598 GPRESSAVG: 1025200 39.1641 -33.3935 1.12173 -34.2018 -30.7527 -17.7963 -0.444768 -13.0498 20.6442 TIMING: 1025200 CPU: 3228.36, 0.00314898/step Wall: 3228.36, 0.00314898/step, 3.47682 hours remaining, 235.812500 MB of memory in use. ENERGY: 1025200 3925.6847 20450.8571 14502.9060 263.3962 -203527.8035 2422.1207 0.0000 0.0000 52042.8687 -109919.9700 299.0911 -161962.8387 -109565.1211 299.1590 30.2843 63.7260 758275.6715 9.5846 9.6852 PRESSURE: 1025400 33.9853 -27.2793 -119.334 -27.2797 42.3478 -62.2369 -119.333 -62.2369 -69.1477 GPRESSURE: 1025400 51.5557 86.576 -165.01 -149.349 10.871 -136.056 -83.5895 201.255 33.1596 PRESSAVG: 1025400 -7.39983 10.7802 0.436957 10.7801 38.8476 -9.94199 0.436979 -9.94201 19.7106 GPRESSAVG: 1025400 -5.53814 12.6957 1.50977 10.3795 37.661 -9.46521 -0.78098 -10.2879 18.4189 TIMING: 1025400 CPU: 3228.99, 0.00314837/step Wall: 3228.99, 0.00314837/step, 3.47598 hours remaining, 235.812500 MB of memory in use. ENERGY: 1025400 3974.5859 20700.0751 14444.6020 245.9006 -203842.9147 2557.0657 0.0000 0.0000 52104.0178 -109816.6675 299.4425 -161920.6853 -109468.7294 299.8394 2.3951 31.8621 760340.4691 17.0528 16.8472 PRESSURE: 1025600 17.8994 -47.5059 129.992 -47.5057 53.9052 8.16229 129.993 8.1614 63.9355 GPRESSURE: 1025600 -5.17417 -113.841 87.7815 -46.0196 105.095 6.33902 190.043 101.827 130.983 PRESSAVG: 1025600 23.274 -0.363127 -27.0312 -0.36314 -32.4437 -18.1466 -27.0311 -18.1467 -1.65536 GPRESSAVG: 1025600 20.1481 -3.85173 -28.3439 -0.495874 -31.4543 -17.4184 -25.0824 -17.7772 -0.169719 TIMING: 1025600 CPU: 3229.62, 0.00312919/step Wall: 3229.62, 0.00312919/step, 3.45463 hours remaining, 235.812500 MB of memory in use. ENERGY: 1025600 4064.5591 20464.3235 14474.9492 249.2282 -203282.4639 2378.5010 0.0000 0.0000 51979.7391 -109671.1638 298.7283 -161650.9029 -109314.9277 299.5421 45.2467 76.9678 761851.7359 -3.6083 -3.8253 PRESSURE: 1025800 -281.651 -90.144 24.3389 -90.1443 -292.088 117.251 24.338 117.252 -72.0073 GPRESSURE: 1025800 -183.942 -119.241 15.444 -158.132 -302.444 33.7889 105.148 126.315 -105.426 PRESSAVG: 1025800 -25.7105 6.3558 6.5351 6.35587 15.8702 -45.9996 6.53511 -45.9996 -1.97891 GPRESSAVG: 1025800 -24.7853 7.07358 6.03537 6.7801 15.58 -44.1184 6.5947 -46.2363 -2.6278 TIMING: 1025800 CPU: 3230.25, 0.00314419/step Wall: 3230.25, 0.00314419/step, 3.47101 hours remaining, 235.812500 MB of memory in use. ENERGY: 1025800 3996.1718 20519.3490 14446.0797 231.4005 -203789.2051 2745.2714 0.0000 0.0000 52309.0747 -109541.8581 300.6210 -161850.9328 -109170.5327 299.4045 -215.2487 -197.2706 761397.9814 -3.9397 -3.9443 PRESSURE: 1026000 274.768 -194.304 -67.8753 -194.304 325.673 -54.5497 -67.8754 -54.5501 153.053 GPRESSURE: 1026000 272.653 -207.502 -54.972 -157.745 406.984 -106.572 -133.971 0.884193 115.207 PRESSAVG: 1026000 6.89206 1.69114 -11.4492 1.6911 25.947 -43.3953 -11.4493 -43.3953 14.528 GPRESSAVG: 1026000 7.54735 2.07285 -11.2731 3.23334 25.3011 -45.0213 -10.971 -46.7852 13.9862 TIMING: 1026000 CPU: 3230.87, 0.00313803/step Wall: 3230.87, 0.00313803/step, 3.46403 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1026000 4019.5054 20615.3751 14410.9611 234.1431 -203552.5587 2800.0642 0.0000 0.0000 51938.4948 -109534.0150 298.4912 -161472.5098 -109178.8161 299.3958 251.1644 264.9480 761105.7651 15.7890 15.6115 PRESSURE: 1026200 -79.0551 -225.971 4.41764 -225.971 -217.691 -331.069 4.41768 -331.07 -227.719 GPRESSURE: 1026200 9.20661 -117.586 33.9075 -137.258 -259.081 -350.039 -26.8007 -360.059 -181.466 PRESSAVG: 1026200 -34.3655 -13.1642 -63.8192 -13.1642 24.4286 -50.3347 -63.8192 -50.3347 -3.72331 GPRESSAVG: 1026200 -33.7897 -13.1843 -64.2646 -14.8833 23.4969 -49.6278 -64.3864 -46.1968 -3.3957 TIMING: 1026200 CPU: 3231.51, 0.00317093/step Wall: 3231.51, 0.00317093/step, 3.50018 hours remaining, 235.812500 MB of memory in use. ENERGY: 1026200 3980.5098 20563.7895 14432.4398 253.0010 -203465.0633 2593.2518 0.0000 0.0000 52224.4414 -109417.6300 300.1346 -161642.0714 -109060.9818 299.5469 -174.8219 -143.7803 761741.9295 -4.5534 -4.5628 PRESSURE: 1026400 -158.417 48.1702 113.537 48.171 -121.242 194.65 113.537 194.65 -73.3309 GPRESSURE: 1026400 -128.262 3.22118 107.884 79.4117 -7.46478 103.627 70.8822 58.8477 -131.445 PRESSAVG: 1026400 6.61193 3.08081 1.74897 3.08083 -2.9271 -70.7929 1.74898 -70.7929 5.19969 GPRESSAVG: 1026400 7.48459 3.58444 2.56015 4.11676 -2.09145 -72.0647 1.10267 -71.9206 3.31874 TIMING: 1026400 CPU: 3232.14, 0.00316766/step Wall: 3232.14, 0.00316766/step, 3.49639 hours remaining, 235.812500 MB of memory in use. ENERGY: 1026400 4046.8579 20616.2389 14497.2996 255.7443 -203108.6853 2385.1475 0.0000 0.0000 52035.8809 -109271.5162 299.0509 -161307.3972 -108917.9804 299.7508 -117.6636 -89.0573 760699.9676 2.9615 2.9040 PRESSURE: 1026600 -85.5227 253.293 147.817 253.292 -461.637 -167.349 147.818 -167.349 186.948 GPRESSURE: 1026600 -72.6364 147.374 147.998 138.96 -324.642 -282.546 159.427 -129.694 113.963 PRESSAVG: 1026600 46.5223 19.0062 4.16154 19.0062 -8.13989 -1.82567 4.16146 -1.82579 -2.2207 GPRESSAVG: 1026600 44.2999 18.0764 4.21487 16.175 -8.53756 -1.45332 4.59013 -2.59618 -0.0318609 TIMING: 1026600 CPU: 3232.77, 0.00314501/step Wall: 3232.77, 0.00314501/step, 3.47122 hours remaining, 235.812500 MB of memory in use. ENERGY: 1026600 4081.3458 20629.0547 14363.7037 251.7558 -203254.0074 2404.0002 0.0000 0.0000 52200.4475 -109323.6996 299.9967 -161524.1471 -108968.2329 300.1783 -120.0707 -94.4386 761394.9413 12.0539 11.9102 PRESSURE: 1026800 42.6112 -116.062 -100.101 -116.062 -137.312 98.3906 -100.101 98.391 6.38765 GPRESSURE: 1026800 45.7565 -118.543 -146.997 -78.9992 -8.1971 99.0878 -150.871 136.515 -36.7674 PRESSAVG: 1026800 -19.1627 -10.205 8.15638 -10.205 -19.4316 5.22619 8.15646 5.22615 2.93142 GPRESSAVG: 1026800 -18.9901 -9.16602 8.41202 -8.12603 -19.0277 7.08133 9.04439 5.63876 1.96105 TIMING: 1026800 CPU: 3233.4, 0.00315113/step Wall: 3233.4, 0.00315113/step, 3.4778 hours remaining, 235.812500 MB of memory in use. ENERGY: 1026800 3919.0212 20552.8046 14424.8733 237.8503 -203383.0221 2498.6187 0.0000 0.0000 52457.4371 -109292.4170 301.4736 -161749.8540 -108922.7222 299.9737 -29.4378 0.2640 761622.6766 -11.8876 -12.0189 PRESSURE: 1027000 -68.2186 -40.6343 23.3364 -40.6339 298.873 -57.3466 23.3371 -57.3461 91.4662 GPRESSURE: 1027000 -41.2619 -44.8288 4.48206 41.248 335.166 -29.1164 44.3471 -143.727 95.584 PRESSAVG: 1027000 -54.8462 -20.9783 30.3634 -20.9783 67.1606 -20.9734 30.3634 -20.9734 15.6344 GPRESSAVG: 1027000 -54.2247 -20.8357 28.4165 -20.7503 65.8025 -21.6917 29.8497 -21.173 15.9177 TIMING: 1027000 CPU: 3234.03, 0.00315559/step Wall: 3234.03, 0.00315559/step, 3.48254 hours remaining, 235.812500 MB of memory in use. ENERGY: 1027000 3979.0539 20554.0670 14453.0804 245.8634 -203435.3282 2504.2902 0.0000 0.0000 52340.2916 -109358.6817 300.8004 -161698.9733 -108992.8454 299.8528 107.3734 129.8295 760633.9825 9.3163 9.1651 PRESSURE: 1027200 360.622 165.961 -108.908 165.962 153.734 10.4076 -108.908 10.4074 -88.7086 GPRESSURE: 1027200 327.243 148.32 -91.9925 121.674 237.315 109.024 -72.7777 -37.0102 -60.4807 PRESSAVG: 1027200 -18.7685 -4.12175 -46.6329 -4.12176 -8.67431 13.3448 -46.6329 13.3448 -1.51878 GPRESSAVG: 1027200 -18.7339 -3.73441 -45.2722 -3.74799 -8.49388 11.7879 -46.1244 14.6787 -2.47915 TIMING: 1027200 CPU: 3234.66, 0.00315398/step Wall: 3234.66, 0.00315398/step, 3.48059 hours remaining, 235.812500 MB of memory in use. ENERGY: 1027200 3948.2686 20658.8028 14410.5307 251.6970 -203672.9650 2764.7922 0.0000 0.0000 52362.5928 -109276.2810 300.9285 -161638.8738 -108905.3646 299.8576 141.8824 168.0257 759186.8832 -9.6539 -9.9023 PRESSURE: 1027400 -136.132 96.0572 35.436 96.0574 22.4598 93.7993 35.4349 93.7986 2.38147 GPRESSURE: 1027400 -180.476 22.0408 -10.7087 44.0029 69.5701 56.1018 -15.1294 12.5761 69.9564 PRESSAVG: 1027400 24.7457 4.63019 -46.4917 4.63023 14.5239 -39.0396 -46.4918 -39.0396 16.4648 GPRESSAVG: 1027400 23.3822 4.47239 -47.3938 3.95348 14.5823 -36.3311 -46.8009 -40.6283 17.6374 TIMING: 1027400 CPU: 3235.3, 0.0031746/step Wall: 3235.3, 0.0031746/step, 3.50317 hours remaining, 235.812500 MB of memory in use. ENERGY: 1027400 3942.1065 20771.1746 14383.5674 243.7403 -203324.0957 2459.3178 0.0000 0.0000 52065.4814 -109458.7077 299.2210 -161524.1891 -109083.7426 300.0139 -37.0968 -13.6500 761473.0294 18.5781 18.5340 PRESSURE: 1027600 -183 -135.225 -69.8904 -135.225 202.046 22.4845 -69.8917 22.4833 -83.4418 GPRESSURE: 1027600 -88.2883 -84.6409 -68.4495 -120.651 213.001 32.5577 -73.3242 -49.075 -94.7461 PRESSAVG: 1027600 -25.3874 -38.8203 -0.284505 -38.8202 35.3259 18.8195 -0.284508 18.8195 -34.3535 GPRESSAVG: 1027600 -25.9291 -38.2724 0.799102 -39.1864 35.9835 17.6741 -2.14782 16.3316 -34.8383 TIMING: 1027600 CPU: 3235.93, 0.00313706/step Wall: 3235.93, 0.00313706/step, 3.46157 hours remaining, 235.812500 MB of memory in use. ENERGY: 1027600 4020.9059 20610.6653 14474.2019 247.5726 -203515.1288 2755.4485 0.0000 0.0000 51828.9948 -109577.3397 297.8619 -161406.3345 -109219.6253 299.4385 -21.4653 9.9890 761572.9737 -8.1384 -8.2613 PRESSURE: 1027800 -206.253 47.9336 -108.233 47.9331 56.6161 -7.21233 -108.234 -7.21273 349.742 GPRESSURE: 1027800 -130.381 64.4627 -138.166 105.093 49.0926 -56.4069 -51.949 58.2816 376.063 PRESSAVG: 1027800 -26.8454 -39.0271 -16.9416 -39.0271 9.60287 79.1453 -16.9417 79.1452 3.45378 GPRESSAVG: 1027800 -27.5604 -40.0004 -16.7288 -39.9116 10.158 78.8281 -16.1994 81.7592 3.39183 TIMING: 1027800 CPU: 3236.56, 0.00315487/step Wall: 3236.56, 0.00315487/step, 3.48105 hours remaining, 235.812500 MB of memory in use. ENERGY: 1027800 4066.3392 20635.8083 14535.0013 243.8820 -203456.9390 2433.2141 0.0000 0.0000 52042.5026 -109500.1915 299.0890 -161542.6941 -109139.3906 299.7911 66.7020 98.2583 761604.0364 -4.5962 -4.6702 PRESSURE: 1028000 -3.26025 74.4986 27.3805 74.4976 105.434 87.528 27.3819 87.5279 314.302 GPRESSURE: 1028000 35.128 96.053 81.0775 -0.568608 159.244 -14.5345 -55.4624 195.878 321.66 PRESSAVG: 1028000 -15.6222 -47.2278 11.2457 -47.2279 34.995 19.4553 11.2457 19.4553 -6.44149 GPRESSAVG: 1028000 -13.6863 -47.492 11.6592 -44.7337 33.5035 19.5364 13.878 18.7462 -6.38942 TIMING: 1028000 CPU: 3237.19, 0.00315345/step Wall: 3237.19, 0.00315345/step, 3.47931 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1028000 3924.8479 20500.9954 14519.3522 260.0040 -203354.8110 2551.7816 0.0000 0.0000 52017.2643 -109580.5656 298.9439 -161597.8299 -109210.7784 299.1343 138.8252 172.0108 758841.4585 4.3104 4.4759 PRESSURE: 1028200 -195.496 -96.9215 8.75292 -96.9216 -286.881 210.092 8.75301 210.09 187.667 GPRESSURE: 1028200 -215.451 -65.6542 3.11951 -8.83855 -195.538 156.447 55.7634 352.212 197.512 PRESSAVG: 1028200 52.957 2.3956 -40.2973 2.39568 3.92786 1.57141 -40.2972 1.57135 5.68368 GPRESSAVG: 1028200 51.7193 4.56815 -41.1415 -1.00507 4.65758 2.77459 -41.6551 2.15282 6.25757 TIMING: 1028200 CPU: 3237.82, 0.00315278/step Wall: 3237.82, 0.00315278/step, 3.47839 hours remaining, 235.812500 MB of memory in use. ENERGY: 1028200 4018.3083 20632.9828 14473.6633 244.0985 -203279.7736 2329.8364 0.0000 0.0000 51825.8858 -109754.9984 297.8441 -161580.8842 -109390.2166 298.7819 -98.2369 -71.1588 758883.5780 20.8562 20.8782 LDB: ============= START OF LOAD BALANCING ============== 3250.22 LDB: ============== END OF LOAD BALANCING =============== 3250.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3250.22 LDB: ============= START OF LOAD BALANCING ============== 3250.54 LDB: Largest compute 7077 load 0.034475 is 17.6% of average load 0.195945 LDB: Average compute 0.004352 is 2.2% of average load 0.195945 LDB: TIME 3250.54 LOAD: AVG 0.195945 MAX 0.213331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.035 MB LDB: TIME 3250.54 LOAD: AVG 0.195945 MAX 0.213331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.238 MB LDB: TIME 3250.54 LOAD: AVG 0.195945 MAX 0.213331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.238 MB LDB: ============== END OF LOAD BALANCING =============== 3250.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3250.55 PRESSURE: 1028400 81.2328 32.1778 57.4416 32.178 122.466 109.001 57.4412 109.001 -122.944 GPRESSURE: 1028400 53.9582 55.4487 117.762 -7.19167 210.388 59.578 65.5092 -10.4239 -112.313 PRESSAVG: 1028400 26.9763 -54.1018 -22.2326 -54.1018 -15.2844 19.273 -22.2326 19.273 7.31757 GPRESSAVG: 1028400 28.2023 -55.1405 -22.5407 -52.5634 -16.1544 19.1861 -21.3155 19.5646 6.44859 TIMING: 1028400 CPU: 3238.46, 0.00323096/step Wall: 3238.46, 0.00323096/step, 3.56446 hours remaining, 238.066406 MB of memory in use. ENERGY: 1028400 3973.5276 20595.8911 14392.6040 235.1218 -203640.8467 2748.9354 0.0000 0.0000 51921.3574 -109773.4094 298.3928 -161694.7668 -109420.6704 299.0957 26.9182 50.6774 761165.8543 6.3365 6.1655 PRESSURE: 1028600 185.055 -27.5105 -111.273 -27.5103 122.154 82.2833 -111.273 82.2824 -227.91 GPRESSURE: 1028600 161.772 10.2737 -127.084 50.2201 170.708 60.7481 -209.319 17.4008 -192.79 PRESSAVG: 1028600 -19.5953 16.3156 53.9179 16.3157 51.6174 -19.3717 53.918 -19.3718 12.2743 GPRESSAVG: 1028600 -20.9902 15.7846 55.9547 16.5823 53.2171 -19.4613 53.4171 -19.99 12.099 TIMING: 1028600 CPU: 3239.1, 0.00315777/step Wall: 3239.1, 0.00315777/step, 3.48355 hours remaining, 238.066406 MB of memory in use. ENERGY: 1028600 4075.1884 20520.7420 14425.4290 231.2637 -203741.5468 2761.2079 0.0000 0.0000 51965.5386 -109762.1772 298.6467 -161727.7158 -109397.7489 299.1376 26.4331 46.5636 759934.3103 14.7655 14.7753 PRESSURE: 1028800 29.1096 57.9835 -91.1121 57.9842 225.901 111.949 -91.112 111.949 240.438 GPRESSURE: 1028800 59.5492 52.6719 -96.2298 -11.0094 270.569 247.78 -8.53308 39.2735 239.45 PRESSAVG: 1028800 10.0538 54.984 -11.4366 54.9839 -5.18192 -12.8873 -11.4365 -12.8873 -21.008 GPRESSAVG: 1028800 10.176 56.4014 -12.3359 54.7796 -4.68814 -11.5535 -10.0949 -13.4351 -21.6786 TIMING: 1028800 CPU: 3239.72, 0.00313727/step Wall: 3239.72, 0.00313727/step, 3.46076 hours remaining, 238.066406 MB of memory in use. ENERGY: 1028800 4010.1508 20597.0739 14450.4641 260.4283 -203889.6546 2804.0784 0.0000 0.0000 51910.1777 -109857.2814 298.3285 -161767.4591 -109488.1800 298.3848 165.1497 189.8560 760804.3386 -5.3787 -5.3969 PRESSURE: 1029000 -171.523 112.253 -26.5626 112.252 -31.1754 14.729 -26.5632 14.7301 -199.378 GPRESSURE: 1029000 -183.124 127.36 -35.3424 53.9559 -26.8097 -123.781 -120.852 -96.8661 -95.5049 PRESSAVG: 1029000 17.9372 -29.0156 23.8179 -29.0157 19.0755 -52.3798 23.818 -52.3798 -16.0533 GPRESSAVG: 1029000 19.283 -29.4039 23.4857 -29.4051 17.0213 -54.4503 23.5036 -51.7351 -15.8932 TIMING: 1029000 CPU: 3240.35, 0.00314616/step Wall: 3240.35, 0.00314616/step, 3.47039 hours remaining, 238.066406 MB of memory in use. ENERGY: 1029000 3946.3153 20629.3816 14421.7920 251.5450 -203491.2164 2409.0245 0.0000 0.0000 51881.5203 -109951.6377 298.1638 -161833.1580 -109596.0319 298.0680 -134.0256 -101.8129 759601.5008 6.9865 6.8037 PRESSURE: 1029200 161.855 207.947 -17.5129 207.948 -153.081 130.595 -17.5137 130.594 304.63 GPRESSURE: 1029200 160.059 125.113 -111.536 58.2486 -75.0017 78.6823 170.171 26.5007 339.086 PRESSAVG: 1029200 -7.43033 -22.4576 -11.0968 -22.4576 5.57742 -36.8985 -11.0967 -36.8986 31.387 GPRESSAVG: 1029200 -8.34236 -23.0321 -11.0109 -21.6031 6.71044 -35.9743 -11.1245 -38.0673 31.3241 TIMING: 1029200 CPU: 3240.98, 0.00315206/step Wall: 3240.98, 0.00315206/step, 3.47672 hours remaining, 238.066406 MB of memory in use. ENERGY: 1029200 3935.9186 20574.1307 14488.7223 250.7459 -203829.9803 2592.8869 0.0000 0.0000 52303.5892 -109683.9868 300.5894 -161987.5760 -109314.0011 298.5742 104.4677 141.3810 758581.8406 9.8447 9.8974 PRESSURE: 1029400 -129.098 -21.8197 46.0353 -21.8188 -105.6 -12.1007 46.0339 -12.1002 -209.055 GPRESSURE: 1029400 -38.6332 -111.08 84.4394 -63.939 -86.6951 -51.1999 70.1652 4.21046 -220.994 PRESSAVG: 1029400 34.1419 22.3008 16.3572 22.3008 -22.6801 69.206 16.3571 69.2059 -2.3201 GPRESSAVG: 1029400 34.4632 21.935 15.5539 21.7318 -23.811 67.4252 15.3053 70.4986 -1.28707 TIMING: 1029400 CPU: 3241.61, 0.00316076/step Wall: 3241.61, 0.00316076/step, 3.48614 hours remaining, 238.066406 MB of memory in use. ENERGY: 1029400 4060.1667 20451.3703 14457.7169 240.1579 -203681.1699 2667.8164 0.0000 0.0000 51957.2788 -109846.6629 298.5992 -161803.9417 -109491.3608 298.6936 -147.9180 -115.4409 759754.5133 3.0473 3.1217 PRESSURE: 1029600 -322.143 25.0815 241.147 25.082 309.052 17.7101 241.148 17.7098 384.361 GPRESSURE: 1029600 -196.766 14.886 374.539 53.6209 289.814 -7.47827 78.3237 -102.582 357.937 PRESSAVG: 1029600 -1.2121 -9.26766 -12.4078 -9.26771 2.10087 -20.1693 -12.4078 -20.1694 -17.586 GPRESSAVG: 1029600 -1.05187 -8.66356 -12.2192 -8.61538 2.24939 -18.9264 -11.9992 -20.7868 -18.4139 TIMING: 1029600 CPU: 3242.25, 0.00316193/step Wall: 3242.25, 0.00316193/step, 3.48726 hours remaining, 238.066406 MB of memory in use. ENERGY: 1029600 4029.1804 20404.3243 14450.3839 254.3292 -203742.7139 2836.4140 0.0000 0.0000 52126.1194 -109641.9626 299.5695 -161768.0820 -109275.6074 298.6483 123.7565 150.3287 760937.0626 -5.5658 -5.7388 PRESSURE: 1029800 298.419 -23.9765 89.8611 -23.9776 384.465 43.5961 89.8611 43.5961 366.796 GPRESSURE: 1029800 375.385 -18.8283 13.3435 -39.6573 441.222 50.482 127.022 78.4258 318.926 PRESSAVG: 1029800 -5.70286 11.2032 -39.3375 11.2031 -11.463 -9.49464 -39.3376 -9.49464 12.5127 GPRESSAVG: 1029800 -6.08129 10.277 -39.2424 13.0678 -10.9335 -9.24962 -42.048 -10.464 12.5161 TIMING: 1029800 CPU: 3242.88, 0.00317635/step Wall: 3242.88, 0.00317635/step, 3.50298 hours remaining, 238.066406 MB of memory in use. ENERGY: 1029800 3949.5040 20599.8473 14494.9822 246.8590 -203907.7869 3042.5923 0.0000 0.0000 51902.6591 -109671.3431 298.2853 -161574.0022 -109315.2952 299.2139 349.8935 378.5111 761842.7950 -1.5511 -1.4996 PRESSURE: 1030000 56.9182 -81.229 -280.819 -81.2287 -178.077 8.57653 -280.819 8.57513 64.9216 GPRESSURE: 1030000 99.6055 -41.3354 -205.953 -157.845 -123.812 -11.0858 -293.285 -29.703 45.1442 PRESSAVG: 1030000 -14.0524 4.63775 -16.6507 4.63777 14.2678 -53.674 -16.6506 -53.6741 -7.47499 GPRESSAVG: 1030000 -13.6826 4.68456 -16.6886 2.75433 14.6058 -52.5913 -13.0565 -55.9977 -8.16612 TIMING: 1030000 CPU: 3243.52, 0.00316804/step Wall: 3243.52, 0.00316804/step, 3.49365 hours remaining, 238.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1030000 3946.4268 20427.5192 14442.6543 225.4469 -203422.3233 2691.5924 0.0000 0.0000 52083.3293 -109605.3544 299.3236 -161688.6837 -109238.2590 298.7897 -18.7457 6.9793 762021.0442 -2.4198 -2.4143 PRESSURE: 1030200 22.602 -28.4325 -34.5641 -28.4317 -305.564 -218.91 -34.565 -218.91 -79.0338 GPRESSURE: 1030200 76.9723 -142.024 -5.24395 -91.6507 -284.954 -154.715 137.209 -256.691 -72.8234 PRESSAVG: 1030200 13.5806 5.32193 -27.262 5.32192 2.48235 -26.0118 -27.262 -26.0118 -6.2461 GPRESSAVG: 1030200 13.6696 5.1487 -26.1548 4.83753 1.48037 -27.7867 -28.7062 -22.1544 -5.64652 TIMING: 1030200 CPU: 3244.15, 0.00316871/step Wall: 3244.15, 0.00316871/step, 3.4942 hours remaining, 238.066406 MB of memory in use. ENERGY: 1030200 4071.3563 20538.9543 14514.6309 243.0427 -202897.4592 2088.7738 0.0000 0.0000 51905.2178 -109535.4835 298.3000 -161440.7013 -109165.7512 298.6838 -120.6652 -93.6018 762008.1978 3.2723 3.1678 PRESSURE: 1030400 -75.0608 -117.799 79.1635 -117.799 -247.919 -118.54 79.1628 -118.541 -229.662 GPRESSURE: 1030400 -144.774 -77.9999 -27.4208 -54.5334 -142.411 -88.2516 80.8923 -132.547 -199.58 PRESSAVG: 1030400 4.53885 -0.638951 -47.4263 -0.639035 0.693902 1.83974 -47.4263 1.83978 -7.87502 GPRESSAVG: 1030400 4.87752 -0.452111 -50.1618 0.681437 -0.192206 3.89775 -47.0248 1.83945 -8.18013 TIMING: 1030400 CPU: 3244.78, 0.00316503/step Wall: 3244.78, 0.00316503/step, 3.48997 hours remaining, 238.066406 MB of memory in use. ENERGY: 1030400 3996.9566 20644.2640 14397.2268 253.8612 -203008.2455 2308.6784 0.0000 0.0000 51912.9705 -109494.2880 298.3446 -161407.2585 -109136.6101 299.0495 -184.2139 -162.2549 761041.1683 -0.8808 -1.1649 PRESSURE: 1030600 166.209 15.8724 -49.6921 15.8732 52.0017 114.735 -49.6919 114.734 -258.038 GPRESSURE: 1030600 206.132 -73.9675 24.5948 -10.6261 29.9304 91.5402 -173.861 57.4163 -185.697 PRESSAVG: 1030600 -16.7853 -29.6264 -29.1003 -29.6265 -23.3581 -48.1898 -29.1003 -48.1899 -10.6203 GPRESSAVG: 1030600 -18.7979 -27.9696 -26.6294 -30.6146 -21.5364 -50.4655 -29.3207 -48.7058 -10.4212 TIMING: 1030600 CPU: 3245.41, 0.00316075/step Wall: 3245.41, 0.00316075/step, 3.48508 hours remaining, 238.066406 MB of memory in use. ENERGY: 1030600 3987.5245 20496.0440 14458.9869 245.0764 -203142.5423 2680.5392 0.0000 0.0000 52110.1192 -109164.2522 299.4776 -161274.3714 -108799.2458 299.3061 -13.2755 16.7883 762029.5803 -16.9212 -16.9185 PRESSURE: 1030800 -340.314 35.061 21.0526 35.0608 -227.439 88.457 21.0532 88.4567 -584.484 GPRESSURE: 1030800 -303.285 -62.4004 1.38035 40.3249 -168.373 148.33 27.2351 39.2429 -591.853 PRESSAVG: 1030800 73.1264 -22.9336 72.6293 -22.9336 -50.1911 -10.0497 72.6293 -10.0497 16.6908 GPRESSAVG: 1030800 73.8124 -23.6038 73.638 -23.1127 -50.8264 -7.75579 71.7504 -10.1745 16.671 TIMING: 1030800 CPU: 3246.05, 0.00315958/step Wall: 3246.05, 0.00315958/step, 3.48361 hours remaining, 238.066406 MB of memory in use. ENERGY: 1030800 4036.4300 20469.4812 14472.6354 242.4652 -203053.3932 2535.9893 0.0000 0.0000 52264.8735 -109031.5186 300.3669 -161296.3921 -108666.3684 300.0434 -384.0791 -354.5038 761221.1026 13.2087 13.2190 PRESSURE: 1031000 105.79 189.217 47.5732 189.217 -176.115 12.0641 47.5729 12.0639 -363.203 GPRESSURE: 1031000 41.0021 214.536 98.015 167.219 -88.7981 43.8564 8.10864 15.1969 -297.478 PRESSAVG: 1031000 -4.42449 14.6496 -22.7589 14.6497 -28.1394 -7.52084 -22.7589 -7.52094 -24.8377 GPRESSAVG: 1031000 -3.74431 16.0434 -24.0584 14.3026 -27.9155 -9.59797 -22.054 -3.92853 -25.6121 TIMING: 1031000 CPU: 3246.68, 0.00317319/step Wall: 3246.68, 0.00317319/step, 3.49844 hours remaining, 238.066406 MB of memory in use. ENERGY: 1031000 4077.7482 20447.2060 14452.8021 244.9275 -203065.8999 2694.9184 0.0000 0.0000 52200.4647 -108947.8331 299.9968 -161148.2978 -108585.2555 300.4077 -144.5098 -115.0912 762743.0438 -19.1339 -19.0906 PRESSURE: 1031200 -227.169 -297.934 -281.371 -297.934 -82.5176 58.217 -281.37 58.2166 -539.599 GPRESSURE: 1031200 -268.158 -231.155 -251.986 -270.062 3.93817 78.9056 -322.668 -62.6296 -491.178 PRESSAVG: 1031200 -48.7025 20.0603 -50.8259 20.0603 61.1786 13.525 -50.8259 13.525 -0.748783 GPRESSAVG: 1031200 -49.0955 19.2275 -50.9362 21.0778 60.9286 14.5614 -49.9439 9.83425 0.129049 TIMING: 1031200 CPU: 3247.31, 0.00315236/step Wall: 3247.31, 0.00315236/step, 3.4753 hours remaining, 238.066406 MB of memory in use. ENERGY: 1031200 4003.8321 20557.5249 14467.0702 264.9980 -202666.6185 2128.3228 0.0000 0.0000 52310.2133 -108934.6574 300.6275 -161244.8707 -108573.5728 299.9302 -283.0953 -251.7992 762582.3177 3.9091 3.9874 PRESSURE: 1031400 -239.022 84.1095 117.279 84.1084 1.53397 315.604 117.279 315.604 -250.78 GPRESSURE: 1031400 -117.816 61.8147 91.901 107.267 -96.9802 263.817 195.091 233.629 -188.952 PRESSAVG: 1031400 50.5077 -38.0744 12.1544 -38.0744 -20.369 7.79991 12.1544 7.79991 -4.25637 GPRESSAVG: 1031400 51.8004 -37.5106 13.859 -38.464 -21.7292 7.0025 12.4171 7.56957 -4.23346 TIMING: 1031400 CPU: 3247.94, 0.00314649/step Wall: 3247.94, 0.00314649/step, 3.46865 hours remaining, 238.066406 MB of memory in use. ENERGY: 1031400 4057.4460 20530.1541 14482.1747 266.1480 -203080.9586 2534.9086 0.0000 0.0000 52255.2883 -108954.8390 300.3119 -161210.1272 -108590.2102 299.9909 -162.7562 -134.5827 763393.7270 8.6274 8.6126 PRESSURE: 1031600 -541.307 331.587 2.44175 331.587 -546.067 117.7 2.44251 117.701 -582.983 GPRESSURE: 1031600 -484.556 254.487 -3.79933 255.804 -496.496 71.8165 -10.4798 183.467 -600.736 PRESSAVG: 1031600 48.7935 66.3534 -0.513791 66.3534 -32.7412 -15.2898 -0.513837 -15.2897 -11.2042 GPRESSAVG: 1031600 48.2976 62.8781 -1.58488 66.5844 -31.8581 -14.9662 -0.840688 -13.2394 -11.8487 TIMING: 1031600 CPU: 3248.57, 0.00316052/step Wall: 3248.57, 0.00316052/step, 3.48395 hours remaining, 238.066406 MB of memory in use. ENERGY: 1031600 4016.1759 20719.5210 14431.0168 249.6301 -202760.3883 2434.2068 0.0000 0.0000 52112.1911 -108797.6466 299.4895 -160909.8377 -108428.3028 300.3411 -556.7857 -527.2625 764474.2211 1.6160 1.5303 PRESSURE: 1031800 173.897 -92.4774 -145.8 -92.4778 141.26 -250.269 -145.799 -250.268 -58.939 GPRESSURE: 1031800 216.867 -101.534 -130.584 -111.176 211.701 -242.64 -22.4009 -179.322 -96.9458 PRESSAVG: 1031800 14.2713 -22.6854 40.8122 -22.6854 -28.3627 -50.0558 40.8122 -50.0557 7.45498 GPRESSAVG: 1031800 13.0768 -20.43 41.2592 -24.2607 -26.9058 -50.0397 40.8442 -51.8915 7.2147 TIMING: 1031800 CPU: 3249.21, 0.00316493/step Wall: 3249.21, 0.00316493/step, 3.48864 hours remaining, 238.066406 MB of memory in use. ENERGY: 1031800 4045.4764 20415.7138 14463.6909 246.8682 -202911.9066 2630.0001 0.0000 0.0000 52142.4488 -108967.7085 299.6634 -161110.1573 -108605.9740 300.1040 85.4061 110.5409 763803.7041 -2.2121 -2.2048 PRESSURE: 1032000 286.724 -126.651 160.141 -126.65 268.66 -477.126 160.141 -477.126 -74.4622 GPRESSURE: 1032000 398.205 -105.822 144.296 -105.439 223.295 -425.627 144.064 -457.742 -68.9762 PRESSAVG: 1032000 17.6088 -15.4481 24.5277 -15.4481 -17.1787 -10.2209 24.5277 -10.2209 -26.929 GPRESSAVG: 1032000 17.8383 -12.22 22.9339 -15.9222 -17.7002 -10.9988 25.6091 -10.3351 -26.4447 TIMING: 1032000 CPU: 3249.84, 0.00315263/step Wall: 3249.84, 0.00315263/step, 3.4749 hours remaining, 238.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1032000 3931.6931 20615.3578 14438.5289 231.1712 -203082.1503 2745.8533 0.0000 0.0000 52129.8064 -108989.7396 299.5907 -161119.5460 -108618.8295 299.7550 160.3071 184.1745 762662.8904 -8.8330 -8.7689 PRESSURE: 1032200 -131.599 107.055 54.4142 107.056 186.774 94.1259 54.4142 94.1262 -481.384 GPRESSURE: 1032200 -21.3578 104.936 178.778 175.911 128.819 122.208 25.11 8.69001 -456.849 PRESSAVG: 1032200 -33.8909 -8.86264 -2.46736 -8.86265 20.7849 -17.4325 -2.46733 -17.4326 -14.8288 GPRESSAVG: 1032200 -33.62 -10.6113 -0.971252 -7.47025 19.8775 -16.0227 -3.238 -17.4755 -13.8563 TIMING: 1032200 CPU: 3250.47, 0.00314314/step Wall: 3250.47, 0.00314314/step, 3.46427 hours remaining, 238.066406 MB of memory in use. ENERGY: 1032200 3978.6576 20557.7176 14503.9577 230.5758 -202995.7701 2464.4214 0.0000 0.0000 52225.9287 -109034.5113 300.1431 -161260.4400 -108663.4756 299.7185 -142.0695 -116.4629 762934.7650 -9.3116 -9.1996 LDB: ============= START OF LOAD BALANCING ============== 3262.86 LDB: ============== END OF LOAD BALANCING =============== 3262.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3262.87 LDB: ============= START OF LOAD BALANCING ============== 3263.18 LDB: Largest compute 7077 load 0.033705 is 17.2% of average load 0.195986 LDB: Average compute 0.004357 is 2.2% of average load 0.195986 LDB: TIME 3263.18 LOAD: AVG 0.195986 MAX 0.216896 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.039 MB LDB: TIME 3263.18 LOAD: AVG 0.195986 MAX 0.216896 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.039 MB LDB: TIME 3263.19 LOAD: AVG 0.195986 MAX 0.216896 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.039 MB LDB: ============== END OF LOAD BALANCING =============== 3263.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3263.19 PRESSURE: 1032400 177.857 170.518 79.7769 170.518 224.555 71.3512 79.7758 71.3501 -18.0005 GPRESSURE: 1032400 178.435 124.262 87.6521 62.2359 281.906 -32.6268 71.1097 109.837 12.5041 PRESSAVG: 1032400 -60.01 -29.5528 -53.5138 -29.5528 17.3777 15.3977 -53.5138 15.3977 3.52272 GPRESSAVG: 1032400 -60.619 -29.9651 -55.3514 -29.9498 18.7298 14.9908 -54.1464 15.3726 3.39294 TIMING: 1032400 CPU: 3251.11, 0.00321994/step Wall: 3251.11, 0.00321994/step, 3.54873 hours remaining, 236.457031 MB of memory in use. ENERGY: 1032400 3927.6106 20519.1589 14490.3323 251.2036 -203650.0713 3024.1919 0.0000 0.0000 52110.7662 -109326.8078 299.4813 -161437.5740 -108964.9932 299.7794 128.1370 157.6150 762121.3744 -13.0365 -12.8321 PRESSURE: 1032600 9.82744 -178.357 127.283 -178.358 -8.53978 -83.7773 127.283 -83.7764 24.5752 GPRESSURE: 1032600 136.224 -161.801 146.386 -96.6269 -40.4468 -240.789 -63.9564 -102.286 22.705 PRESSAVG: 1032600 22.6861 -5.1983 2.23948 -5.19835 6.13518 2.56786 2.23955 2.56777 19.9508 GPRESSAVG: 1032600 22.943 -3.87831 4.83449 -4.57355 5.15771 1.97015 2.0611 2.16029 20.784 TIMING: 1032600 CPU: 3251.74, 0.00315238/step Wall: 3251.74, 0.00315238/step, 3.4741 hours remaining, 236.457031 MB of memory in use. ENERGY: 1032600 3973.5303 20423.9490 14419.3325 244.3602 -203426.2554 2675.1207 0.0000 0.0000 52155.5781 -109534.3847 299.7388 -161689.9628 -109179.1501 299.1465 8.6210 39.4940 762925.3505 16.2573 16.2949 PRESSURE: 1032800 -138.811 -222.583 -116.478 -222.584 158.427 -83.8356 -116.478 -83.8357 -90.7289 GPRESSURE: 1032800 -92.2348 -171.9 -143.691 -246.64 260.546 -63.6507 -36.9349 -7.1524 -163.533 PRESSAVG: 1032800 58.2524 14.3564 11.6708 14.3564 -23.6399 -19.1171 11.6707 -19.1171 1.1777 GPRESSAVG: 1032800 58.1097 13.46 9.11598 14.0659 -21.9687 -19.5778 13.9123 -20.038 0.254374 TIMING: 1032800 CPU: 3252.37, 0.00315214/step Wall: 3252.37, 0.00315214/step, 3.47365 hours remaining, 236.457031 MB of memory in use. ENERGY: 1032800 3881.5792 20501.2782 14489.1904 245.6640 -203480.1997 2660.5851 0.0000 0.0000 52249.2816 -109452.6212 300.2773 -161701.9028 -109092.8086 298.6658 -23.7043 1.5924 762072.8671 11.9300 12.1318 PRESSURE: 1033000 51.1376 -278.916 100.115 -278.916 6.69383 121.774 100.115 121.773 198.432 GPRESSURE: 1033000 206.712 -243.887 16.1645 -258.646 -37.8137 69.2866 164.559 99.743 163.849 PRESSAVG: 1033000 -12.63 -14.5601 -8.25456 -14.5601 -23.9773 28.6509 -8.25457 28.6508 -15.9565 GPRESSAVG: 1033000 -12.9986 -13.6014 -8.16962 -16.4031 -24.4213 28.7588 -7.94039 29.3603 -15.4355 TIMING: 1033000 CPU: 3253, 0.00316129/step Wall: 3253, 0.00316129/step, 3.48357 hours remaining, 236.457031 MB of memory in use. ENERGY: 1033000 3972.1411 20333.6820 14460.2708 257.5798 -203047.2005 2561.6303 0.0000 0.0000 51934.4270 -109527.4696 298.4679 -161461.8966 -109164.3294 298.9984 85.4211 110.9157 763239.8048 -17.5212 -17.6185 PRESSURE: 1033200 -203.151 15.5613 -343.46 15.5613 -426.524 111.181 -343.46 111.181 -113.791 GPRESSURE: 1033200 -261.381 -58.3308 -296.501 9.93813 -292.194 127.463 -262.173 214.698 -129.965 PRESSAVG: 1033200 6.31538 -25.9891 -37.5756 -25.9891 -17.5864 12.1814 -37.5756 12.1815 -7.00346 GPRESSAVG: 1033200 5.32983 -29.043 -35.9023 -24.8656 -16.3572 14.9606 -40.6806 11.7534 -7.84331 TIMING: 1033200 CPU: 3253.64, 0.00316354/step Wall: 3253.64, 0.00316354/step, 3.48587 hours remaining, 236.457031 MB of memory in use. ENERGY: 1033200 4042.3432 20530.6145 14553.3910 259.1533 -202992.4586 2145.4970 0.0000 0.0000 52049.3187 -109412.1408 299.1281 -161461.4595 -109056.5125 299.0795 -247.8222 -227.8464 762419.2367 -6.0915 -6.2902 PRESSURE: 1033400 -150.943 22.7955 201.979 22.7956 123.633 -100.274 201.979 -100.274 78.3019 GPRESSURE: 1033400 16.1561 14.0903 133.319 86.2257 87.0069 -194.184 96.7331 -168.542 26.5948 PRESSAVG: 1033400 -29.2166 11.7747 -40.1967 11.7747 -14.8382 12.8875 -40.1967 12.8875 -18.4029 GPRESSAVG: 1033400 -27.4729 13.4903 -41.664 12.5047 -16.7972 12.1569 -37.1128 13.2765 -18.6448 TIMING: 1033400 CPU: 3254.27, 0.00316231/step Wall: 3254.27, 0.00316231/step, 3.48434 hours remaining, 236.457031 MB of memory in use. ENERGY: 1033400 4062.0520 20376.6263 14462.1210 257.4618 -203516.1370 2815.0558 0.0000 0.0000 52139.1997 -109403.6204 299.6447 -161542.8201 -109040.3528 299.0978 16.9972 43.2526 761194.5852 -20.8192 -20.9716 PRESSURE: 1033600 -44.4975 -80.5127 113.735 -80.5114 -88.1989 -98.3475 113.735 -98.3478 -206.285 GPRESSURE: 1033600 -1.53212 -14.099 106.078 48.5577 -45.39 -76.2002 156.52 -59.3286 -195.597 PRESSAVG: 1033600 31.1527 -25.5076 -13.6134 -25.5076 -11.7016 22.9673 -13.6134 22.9673 12.8254 GPRESSAVG: 1033600 31.5434 -25.5716 -12.4349 -25.8625 -12.1523 23.9102 -17.7684 21.5124 12.5383 TIMING: 1033600 CPU: 3254.9, 0.00317486/step Wall: 3254.9, 0.00317486/step, 3.498 hours remaining, 236.457031 MB of memory in use. ENERGY: 1033600 4008.1945 20450.2150 14492.1094 236.3883 -202471.9247 2061.3446 0.0000 0.0000 51978.5665 -109245.1064 298.7215 -161223.6729 -108881.9023 299.0660 -112.9938 -80.8398 761786.7122 10.7588 10.6431 PRESSURE: 1033800 -340.985 72.39 -443.87 72.3906 -355.38 -128.677 -443.87 -128.677 -80.5509 GPRESSURE: 1033800 -286.589 -18.9054 -348.064 125.49 -318.707 -80.518 -312.01 -101.819 -54.3503 PRESSAVG: 1033800 29.3682 -9.90803 -37.9498 -9.90809 -51.5646 -20.4391 -37.9498 -20.4391 29.7265 GPRESSAVG: 1033800 27.9061 -8.63748 -36.7255 -9.70163 -49.3625 -22.5392 -34.3165 -18.8916 29.6955 TIMING: 1033800 CPU: 3255.54, 0.00316223/step Wall: 3255.54, 0.00316223/step, 3.4839 hours remaining, 236.457031 MB of memory in use. ENERGY: 1033800 3995.6994 20487.0473 14428.9784 252.4974 -202873.5584 2476.1286 0.0000 0.0000 51875.9984 -109357.2090 298.1321 -161233.2074 -108995.0769 299.1713 -258.9719 -219.8820 763391.5598 2.5100 2.7464 PRESSURE: 1034000 -38.9284 -43.7733 106.942 -43.7738 124.683 -195.298 106.942 -195.298 -102.422 GPRESSURE: 1034000 48.1578 57.7801 22.7629 82.1833 37.7641 -75.0436 74.555 -124.34 -27.6912 PRESSAVG: 1034000 -28.0839 -24.7731 7.22138 -24.7731 -15.6029 -45.4629 7.22131 -45.463 -26.1399 GPRESSAVG: 1034000 -29.2503 -26.8149 5.86396 -25.7559 -15.9206 -44.1206 6.71458 -43.5596 -24.924 TIMING: 1034000 CPU: 3256.17, 0.00317439/step Wall: 3256.17, 0.00317439/step, 3.49712 hours remaining, 236.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1034000 4013.1096 20486.4998 14448.4062 257.2273 -203251.6618 2600.4859 0.0000 0.0000 52115.3242 -109330.6088 299.5075 -161445.9330 -108984.3248 299.1650 -5.5555 19.4102 762252.6390 -23.2755 -23.3650 PRESSURE: 1034200 79.5114 -206.408 6.61842 -206.408 -57.9096 -19.653 6.61816 -19.6534 -79.7552 GPRESSURE: 1034200 63.5087 -196.82 -175.703 -88.1254 21.604 11.2621 -34.5263 -100.63 -54.6892 PRESSAVG: 1034200 7.7703 -14.2115 1.71396 -14.2115 -16.1176 -14.367 1.71396 -14.367 0.154572 GPRESSAVG: 1034200 10.0374 -13.2012 2.02264 -12.5429 -17.2953 -13.6848 1.54403 -18.2764 0.0470046 TIMING: 1034200 CPU: 3256.8, 0.00316807/step Wall: 3256.8, 0.00316807/step, 3.48998 hours remaining, 236.457031 MB of memory in use. ENERGY: 1034200 3989.1212 20576.3739 14472.0142 245.8991 -203581.1739 2860.7816 0.0000 0.0000 52048.3272 -109388.6567 299.1225 -161436.9839 -109032.1724 299.5381 -19.3845 10.1412 761660.2927 -2.7309 -2.4036 PRESSURE: 1034400 -241.351 6.50207 -18.1411 6.50159 68.0003 -160.56 -18.1406 -160.559 170.938 GPRESSURE: 1034400 -87.8596 36.987 29.4254 27.0792 -38.976 -111.893 -71.3329 -172.842 209.422 PRESSAVG: 1034400 22.9222 -32.0674 -25.8017 -32.0674 11.2948 2.12437 -25.8017 2.12436 -6.96178 GPRESSAVG: 1034400 21.9037 -32.1873 -26.2024 -33.4103 11.8991 0.921642 -27.1061 4.09032 -7.11755 TIMING: 1034400 CPU: 3257.44, 0.00317786/step Wall: 3257.44, 0.00317786/step, 3.50059 hours remaining, 236.457031 MB of memory in use. ENERGY: 1034400 3904.4132 20485.2122 14391.0490 240.9875 -203341.5364 2689.8792 0.0000 0.0000 52267.8199 -109362.1755 300.3839 -161629.9954 -109003.0434 299.3442 -0.8042 27.5288 761183.3473 9.0851 8.8951 PRESSURE: 1034600 -90.9297 4.85622 -31.6522 4.85685 -104.617 16.8228 -31.6513 16.822 35.3995 GPRESSURE: 1034600 -92.1027 72.6861 -52.6699 -36.8845 -24.1934 122.105 -8.88292 35.4233 29.806 PRESSAVG: 1034600 16.7672 -8.49384 39.0683 -8.49387 -16.9104 -1.44471 39.0683 -1.44469 -6.37008 GPRESSAVG: 1034600 17.6461 -7.90474 40.571 -9.4891 -17.4552 -1.89382 39.991 0.451131 -6.52945 TIMING: 1034600 CPU: 3258.07, 0.00317393/step Wall: 3258.07, 0.00317393/step, 3.49609 hours remaining, 236.457031 MB of memory in use. ENERGY: 1034600 4017.4957 20459.7495 14420.9488 234.1158 -203350.2869 2713.0431 0.0000 0.0000 52247.8213 -109257.1127 300.2689 -161504.9341 -108890.6196 299.3846 -53.3823 -28.8300 763017.6091 -2.1711 -2.1128 PRESSURE: 1034800 -127.764 179.434 14.3018 179.434 -45.197 -58.0426 14.3018 -58.0424 118.036 GPRESSURE: 1034800 15.7629 204.338 85.7733 146.969 -45.2894 3.38606 65.9247 -221.283 50.742 PRESSAVG: 1034800 -13.7098 6.49045 18.3116 6.49045 -18.5283 -23.4626 18.3116 -23.4626 -11.2008 GPRESSAVG: 1034800 -14.4628 5.11978 16.8029 6.9588 -17.476 -23.6698 17.2559 -23.6824 -11.2863 TIMING: 1034800 CPU: 3258.7, 0.00315557/step Wall: 3258.7, 0.00315557/step, 3.47569 hours remaining, 236.457031 MB of memory in use. ENERGY: 1034800 4020.3596 20479.3818 14401.3115 236.5839 -203162.2224 2658.2809 0.0000 0.0000 52055.9607 -109310.3440 299.1663 -161366.3047 -108946.7240 299.3966 -18.3084 7.0718 762912.2792 -14.4796 -14.4083 PRESSURE: 1035000 232.748 -173.357 39.5586 -173.357 216.861 -241.395 39.5581 -241.395 -115.437 GPRESSURE: 1035000 270.854 -230.836 81.7692 -132.533 279.852 -230.128 -18.7944 -133.937 -140.142 PRESSAVG: 1035000 -12.7361 -36.9523 19.3734 -36.9523 72.5452 -8.89675 19.3735 -8.89671 10.719 GPRESSAVG: 1035000 -11.8646 -37.8754 20.1861 -36.9603 72.3228 -8.61178 20.5157 -9.04679 9.87047 TIMING: 1035000 CPU: 3259.34, 0.00315375/step Wall: 3259.34, 0.00315375/step, 3.47351 hours remaining, 236.457031 MB of memory in use. ENERGY: 1035000 4034.5913 20486.4786 14456.0535 245.2948 -203011.6504 2551.4991 0.0000 0.0000 51994.2816 -109243.4515 298.8119 -161237.7331 -108869.2214 299.5350 111.3905 136.8545 764108.3985 23.5094 23.4429 PRESSURE: 1035200 225.065 8.45235 14.5031 8.45209 88.9177 25.2308 14.5017 25.2307 18.4268 GPRESSURE: 1035200 224.154 -90.2628 -89.5451 -50.2141 176.129 -15.4388 112.529 87.0841 10.0905 PRESSAVG: 1035200 -39.6567 -29.1045 9.88858 -29.1045 -58.8089 -13.2097 9.88851 -13.2098 28.9929 GPRESSAVG: 1035200 -41.0669 -27.9385 7.9703 -31.105 -57.8849 -13.1447 9.64018 -14.8494 29.6129 TIMING: 1035200 CPU: 3259.97, 0.00316929/step Wall: 3259.97, 0.00316929/step, 3.49045 hours remaining, 236.457031 MB of memory in use. ENERGY: 1035200 4066.2022 20625.6458 14450.8904 236.5899 -203688.3326 3002.0035 0.0000 0.0000 52288.2991 -109018.7017 300.5016 -161307.0008 -108648.2948 299.5833 110.8031 136.7910 760867.2551 -23.1576 -23.1129 PRESSURE: 1035400 -164.323 67.1068 140.81 67.1076 -151.818 35.1564 140.81 35.1566 31.6162 GPRESSURE: 1035400 -34.0131 84.8092 147.239 172.166 -146.545 47.0824 55.6293 100.26 -5.05206 PRESSAVG: 1035400 -37.5527 -12.5003 27.6621 -12.5003 -7.59194 -16.7649 27.6622 -16.7649 8.46758 GPRESSAVG: 1035400 -36.563 -10.6259 30.1163 -9.91971 -9.38343 -16.9171 29.1264 -17.8103 9.64025 TIMING: 1035400 CPU: 3260.6, 0.00314736/step Wall: 3260.6, 0.00314736/step, 3.46611 hours remaining, 236.457031 MB of memory in use. ENERGY: 1035400 4047.1978 20512.6605 14423.1754 241.6710 -202640.4445 2491.2999 0.0000 0.0000 51830.6393 -109093.8007 297.8714 -160924.4399 -108730.3615 300.2037 -94.8416 -61.8701 763542.4537 -12.2257 -12.1021 PRESSURE: 1035600 94.4377 -40.3333 34.6741 -40.3336 11.575 14.3414 34.6743 14.3408 475.995 GPRESSURE: 1035600 34.2247 -27.9534 24.8326 -1.30375 145.222 -21.0769 52.8763 17.1082 477.565 PRESSAVG: 1035600 7.61785 -19.071 8.8603 -19.071 -46.5992 -6.76584 8.86031 -6.76573 -16.0458 GPRESSAVG: 1035600 7.28833 -19.126 7.13307 -17.953 -46.0387 -6.95173 8.4151 -4.47954 -16.366 TIMING: 1035600 CPU: 3261.23, 0.00314497/step Wall: 3261.23, 0.00314497/step, 3.46331 hours remaining, 236.457031 MB of memory in use. ENERGY: 1035600 3946.5631 20688.4413 14409.1811 250.0987 -203588.4342 2884.3712 0.0000 0.0000 52274.8944 -109134.8844 300.4245 -161409.7789 -108766.5761 299.9483 194.0027 219.0041 760557.0972 -18.3424 -18.3721 PRESSURE: 1035800 -202.972 152.155 -46.7309 152.155 -281.659 47.0181 -46.7304 47.0186 -15.2388 GPRESSURE: 1035800 -181.901 94.5787 -21.6821 221.699 -266.118 64.3813 -139.12 -14.2352 12.4667 PRESSAVG: 1035800 34.3725 -7.63544 -31.2541 -7.63545 -7.54566 24.8515 -31.2541 24.8515 28.1463 GPRESSAVG: 1035800 33.6563 -9.53272 -31.7429 -9.47367 -5.97412 26.0558 -31.6324 24.0411 27.5073 TIMING: 1035800 CPU: 3261.86, 0.00315373/step Wall: 3261.86, 0.00315373/step, 3.47279 hours remaining, 236.457031 MB of memory in use. ENERGY: 1035800 4077.9134 20532.1130 14546.7703 249.2703 -203383.3769 2546.6396 0.0000 0.0000 52228.3230 -109202.3473 300.1569 -161430.6702 -108853.7314 300.6392 -166.6232 -145.1840 762396.6291 18.3244 18.3965 PRESSURE: 1036000 161.948 -90.9607 -157.565 -90.9609 -80.9748 -77.4694 -157.565 -77.4691 -28.4601 GPRESSURE: 1036000 238.056 -47.4562 -139.307 -157.077 -61.247 -112.73 -92.8866 -134.719 -34.4594 PRESSAVG: 1036000 46.6455 -51.5091 -29.6858 -51.5092 -31.1728 -10.7154 -29.6858 -10.7155 7.16413 GPRESSAVG: 1036000 47.099 -49.9757 -28.2935 -50.7783 -31.899 -11.7665 -31.4891 -10.3171 7.6192 TIMING: 1036000 CPU: 3262.49, 0.0031682/step Wall: 3262.49, 0.0031682/step, 3.48854 hours remaining, 236.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1036000 4022.3121 20330.1403 14437.0880 268.9970 -203795.0547 3065.4189 0.0000 0.0000 52256.9758 -109414.1226 300.3216 -161671.0983 -109047.8591 299.8008 17.5043 47.4498 761030.7012 7.5456 7.6064 PRESSURE: 1036200 -125.506 -33.2143 341.945 -33.2144 182.656 133.695 341.945 133.696 -26.2902 GPRESSURE: 1036200 -177.773 -63.7511 377.347 -25.2341 223.279 120.787 367.387 59.7918 53.5351 PRESSAVG: 1036200 -25.7792 10.3339 -6.3817 10.3339 20.9942 -5.86683 -6.38173 -5.86683 -11.6727 GPRESSAVG: 1036200 -25.5238 9.80492 -7.09622 10.7833 20.4667 -5.3225 -4.53919 -6.22009 -11.432 TIMING: 1036200 CPU: 3263.12, 0.00313686/step Wall: 3263.12, 0.00313686/step, 3.45386 hours remaining, 236.457031 MB of memory in use. ENERGY: 1036200 4093.0033 20607.7393 14425.2663 260.8069 -203514.1798 2683.0370 0.0000 0.0000 52155.6969 -109288.6301 299.7395 -161444.3270 -108940.1546 299.2871 10.2865 33.0136 761641.5495 -5.4859 -5.4964 LDB: ============= START OF LOAD BALANCING ============== 3275.52 LDB: ============== END OF LOAD BALANCING =============== 3275.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3275.52 LDB: ============= START OF LOAD BALANCING ============== 3275.84 LDB: Largest compute 7077 load 0.034433 is 17.6% of average load 0.195950 LDB: Average compute 0.004366 is 2.2% of average load 0.195950 LDB: TIME 3275.85 LOAD: AVG 0.19595 MAX 0.217542 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.586 MB LDB: TIME 3275.85 LOAD: AVG 0.19595 MAX 0.217542 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: TIME 3275.85 LOAD: AVG 0.19595 MAX 0.217542 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: ============== END OF LOAD BALANCING =============== 3275.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3275.85 PRESSURE: 1036400 57.669 183.27 -61.1576 183.271 -317.603 -148.137 -61.1563 -148.138 -38.8834 GPRESSURE: 1036400 12.9671 130.642 18.9807 127.25 -173.805 -113.857 -42.7074 -147.036 -43.119 PRESSAVG: 1036400 -10.4456 -13.0193 53.7375 -13.0193 25.5748 -12.5008 53.7376 -12.5009 19.5322 GPRESSAVG: 1036400 -12.3931 -11.8085 54.4959 -14.8852 26.4824 -10.5971 51.9651 -12.0302 20.4737 TIMING: 1036400 CPU: 3263.77, 0.00325753/step Wall: 3263.77, 0.00325753/step, 3.58654 hours remaining, 237.945312 MB of memory in use. ENERGY: 1036400 3925.7277 20516.9417 14497.8761 269.6953 -203001.4933 2489.5392 0.0000 0.0000 51951.3608 -109350.3525 298.5652 -161301.7132 -108981.3125 299.4625 -99.6060 -67.9858 763203.0055 11.5538 11.5210 PRESSURE: 1036600 -14.8472 -60.6114 -45.1368 -60.6118 -149.008 -7.96656 -45.136 -7.96534 -172.905 GPRESSURE: 1036600 3.41014 -63.6902 -98.6537 -184.255 -129.237 -29.7137 29.6391 44.6877 -129.871 PRESSAVG: 1036600 -8.40813 -62.9955 -35.5897 -62.9955 -25.5154 -19.1358 -35.5897 -19.1357 -2.0491 GPRESSAVG: 1036600 -7.27481 -64.8628 -36.9768 -60.5357 -26.2554 -21.312 -32.8199 -18.7159 -2.86276 TIMING: 1036600 CPU: 3264.4, 0.00314566/step Wall: 3264.4, 0.00314566/step, 3.4632 hours remaining, 237.945312 MB of memory in use. ENERGY: 1036600 4093.0446 20452.7442 14540.3342 230.0652 -203776.8997 2848.0582 0.0000 0.0000 52030.1602 -109582.4931 299.0180 -161612.6533 -109224.9780 299.4060 -112.2531 -85.2325 761750.3506 -11.9909 -12.1310 PRESSURE: 1036800 -269.459 3.5151 -2.81494 3.51489 -126.023 -306.584 -2.81491 -306.584 -49.7901 GPRESSURE: 1036800 -146.756 -15.3069 32.0012 -59.8837 -241.125 -325.349 -50.3401 -214.825 13.163 PRESSAVG: 1036800 -18.2356 -39.5965 -2.08147 -39.5965 26.5651 -33.8678 -2.08151 -33.8677 17.4622 GPRESSAVG: 1036800 -16.2248 -38.2631 -0.9689 -40.9843 25.6674 -33.3778 -4.85427 -34.8218 16.82 TIMING: 1036800 CPU: 3265.03, 0.00314698/step Wall: 3265.03, 0.00314698/step, 3.46448 hours remaining, 237.945312 MB of memory in use. ENERGY: 1036800 4006.0366 20611.9433 14516.0141 233.8210 -203529.2341 2691.6441 0.0000 0.0000 51888.6211 -109581.1539 298.2046 -161469.7750 -109222.0582 299.0565 -148.4240 -124.9061 762174.7392 8.5973 8.7542 PRESSURE: 1037000 -468.072 -80.744 12.2536 -80.7448 -116.471 -79.1994 12.2532 -79.1991 -221.612 GPRESSURE: 1037000 -533.102 -160.054 111.991 20.4375 -20.9653 -76.4009 -4.01935 -63.7557 -162.089 PRESSAVG: 1037000 -29.6637 5.87344 25.6802 5.87336 36.9539 -33.3956 25.6802 -33.3958 -8.16141 GPRESSAVG: 1037000 -32.6342 4.1863 26.2391 5.29252 39.0193 -32.45 25.8514 -35.318 -7.34216 TIMING: 1037000 CPU: 3265.66, 0.00315378/step Wall: 3265.66, 0.00315378/step, 3.47179 hours remaining, 237.945312 MB of memory in use. ENERGY: 1037000 3902.5696 20673.8327 14545.5002 276.4086 -203288.2318 2624.1302 0.0000 0.0000 51831.0291 -109434.7614 297.8736 -161265.7905 -109082.8254 299.1819 -268.7184 -238.7188 763657.9350 -0.2904 -0.3190 PRESSURE: 1037200 360.705 -140.692 -76.3905 -140.692 -56.6967 -73.4985 -76.3908 -73.4984 32.0579 GPRESSURE: 1037200 513.622 -119.709 -81.24 -121.872 -179.932 -52.2903 -51.5253 -45.0873 64.0241 PRESSAVG: 1037200 -65.5168 -6.71067 4.0197 -6.71067 43.6902 -28.659 4.01974 -28.6589 13.9875 GPRESSAVG: 1037200 -64.9762 -4.80043 2.03006 -5.71408 43.6495 -29.742 5.99858 -24.9866 13.1081 TIMING: 1037200 CPU: 3266.29, 0.00313703/step Wall: 3266.29, 0.00313703/step, 3.45317 hours remaining, 237.945312 MB of memory in use. ENERGY: 1037200 3961.1630 20620.2343 14514.1325 262.2943 -203648.0852 2930.8799 0.0000 0.0000 52225.5380 -109133.8433 300.1409 -161359.3813 -108767.7099 299.6932 112.0219 132.5714 763980.0771 -2.6130 -2.7395 PRESSURE: 1037400 -366.686 -144.609 10.9783 -144.609 -31.5989 -33.2622 10.9795 -33.2636 -214.826 GPRESSURE: 1037400 -308.868 -52.9383 -16.5494 -67.8366 -9.25883 -27.0974 -135.104 -181.293 -210.787 PRESSAVG: 1037400 -29.7957 -10.9096 4.89545 -10.9096 8.20264 -33.4287 4.89547 -33.4287 0.225383 GPRESSAVG: 1037400 -29.2528 -11.5508 5.08592 -12.1463 7.94586 -34.8732 4.47716 -35.0885 -0.350803 TIMING: 1037400 CPU: 3266.91, 0.00313499/step Wall: 3266.91, 0.00313499/step, 3.45075 hours remaining, 237.945312 MB of memory in use. ENERGY: 1037400 3968.8971 20567.8871 14560.2432 267.9591 -203043.2891 2542.0456 0.0000 0.0000 52043.2140 -109093.0429 299.0931 -161136.2568 -108728.4526 300.0097 -204.3702 -176.3048 764041.5196 -7.1226 -7.2193 PRESSURE: 1037600 -274.611 -21.0594 -231.513 -21.0603 -160.8 -12.4746 -231.513 -12.4752 -16.8669 GPRESSURE: 1037600 -230.455 -118.924 -243.093 -90.2687 -206.974 14.599 -237.533 56.0071 51.6394 PRESSAVG: 1037600 -50.0704 -5.79592 -34.1862 -5.79588 36.2923 -43.0966 -34.1861 -43.0966 -12.6316 GPRESSAVG: 1037600 -50.4185 -6.77626 -34.0646 -4.85811 36.9891 -41.6035 -32.9103 -43.028 -12.8903 TIMING: 1037600 CPU: 3267.54, 0.00314252/step Wall: 3267.54, 0.00314252/step, 3.45886 hours remaining, 237.945312 MB of memory in use. ENERGY: 1037600 3934.1372 20510.0004 14629.1338 249.1169 -203378.6753 2569.7085 0.0000 0.0000 52422.7518 -109063.8268 301.2743 -161486.5786 -108684.2327 300.3343 -150.7594 -128.5966 761829.3756 -8.8032 -8.7732 PRESSURE: 1037800 58.1246 -104.997 159.341 -104.996 96.0108 81.1912 159.34 81.1914 236.377 GPRESSURE: 1037800 95.3255 -14.4971 120.626 0.224855 84.8464 90.6056 152.871 53.8952 265.1 PRESSAVG: 1037800 -44.6968 28.6154 -38.9486 28.6154 58.4042 -37.2995 -38.9486 -37.2995 -4.29906 GPRESSAVG: 1037800 -44.5112 28.7562 -37.5762 28.0477 57.5027 -37.6221 -41.9779 -38.7268 -3.6671 TIMING: 1037800 CPU: 3268.17, 0.00314276/step Wall: 3268.17, 0.00314276/step, 3.45896 hours remaining, 237.945312 MB of memory in use. ENERGY: 1037800 3963.8701 20492.4067 14518.5933 260.9030 -203703.5087 2905.8093 0.0000 0.0000 52337.4209 -109224.5055 300.7839 -161561.9264 -108870.3622 300.1728 130.1708 148.4241 762075.5713 3.1361 3.1081 PRESSURE: 1038000 -84.0929 -295.793 326.916 -295.793 -206.156 -31.2776 326.916 -31.277 -107.467 GPRESSURE: 1038000 -74.774 -210.712 321.984 -248.021 -172.827 -4.88173 351.522 -14.7142 -70.3507 PRESSAVG: 1038000 -51.2761 -17.2646 -7.65372 -17.2645 26.7716 -38.3522 -7.65377 -38.3522 4.67401 GPRESSAVG: 1038000 -51.8466 -16.0956 -7.61386 -17.3716 26.9394 -37.5637 -7.32275 -38.0854 4.47424 TIMING: 1038000 CPU: 3268.8, 0.003151/step Wall: 3268.8, 0.003151/step, 3.46785 hours remaining, 237.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1038000 4092.3789 20634.7761 14566.0490 246.7184 -203479.3449 2679.7469 0.0000 0.0000 52144.9179 -109114.7576 299.6776 -161259.6755 -108757.1333 299.9233 -132.5720 -105.9839 762635.4022 -6.6102 -6.8110 PRESSURE: 1038200 -262.929 -30.3004 31.2527 -30.3002 -137.431 -85.7954 31.2535 -85.7956 -125.325 GPRESSURE: 1038200 -273.783 -110.807 -9.14353 118.119 -36.8281 -152.116 6.79492 1.60124 -143.819 PRESSAVG: 1038200 -44.8194 7.72722 5.92439 7.72717 41.9478 -38.0501 5.92433 -38.0501 21.5475 GPRESSAVG: 1038200 -44.5174 6.25104 4.06569 10.193 41.3978 -38.5935 5.23804 -38.4204 22.0926 TIMING: 1038200 CPU: 3269.43, 0.00314989/step Wall: 3269.43, 0.0031499/step, 3.46646 hours remaining, 237.945312 MB of memory in use. ENERGY: 1038200 4029.9474 20554.6762 14528.2386 260.5436 -203126.3304 2412.9940 0.0000 0.0000 52129.7475 -109210.1831 299.5904 -161339.9306 -108849.3110 299.6231 -175.2285 -151.4765 762085.4830 6.2253 6.3243 PRESSURE: 1038400 177.1 -34.745 73.4135 -34.7448 314.228 40.1562 73.4139 40.1562 73.5967 GPRESSURE: 1038400 231.769 29.481 -23.2291 -82.1814 343.616 25.6983 133.904 103.675 66.4006 PRESSAVG: 1038400 -62.534 -60.9431 11.4096 -60.9431 10.1764 -52.0201 11.4097 -52.0202 -4.72532 GPRESSAVG: 1038400 -62.3477 -59.1427 10.2357 -60.0703 9.86348 -51.3626 12.7777 -50.1403 -4.28425 TIMING: 1038400 CPU: 3270.06, 0.00315675/step Wall: 3270.06, 0.00315676/step, 3.47383 hours remaining, 237.945312 MB of memory in use. ENERGY: 1038400 4003.3290 20506.3055 14476.2842 249.8094 -203777.0625 3010.7710 0.0000 0.0000 52164.7715 -109365.7919 299.7917 -161530.5635 -109004.7025 299.5767 188.3082 213.9286 760170.5553 -19.0277 -18.9228 PRESSURE: 1038600 288.672 -1.77799 -135.111 -1.77705 -314.434 -134.871 -135.112 -134.871 -169.335 GPRESSURE: 1038600 208.527 -90.2186 -173.997 -101.297 -138.779 -180.985 -147.721 -140.488 -205.328 PRESSAVG: 1038600 -22.0421 3.21102 8.85817 3.21104 46.5184 -43.5936 8.85825 -43.5936 -30.7902 GPRESSAVG: 1038600 -21.4621 1.82947 10.4526 0.756499 47.0171 -44.9564 7.89451 -44.8785 -32.0891 TIMING: 1038600 CPU: 3270.69, 0.00315342/step Wall: 3270.69, 0.00315342/step, 3.46999 hours remaining, 237.945312 MB of memory in use. ENERGY: 1038600 4067.2277 20594.2808 14523.0796 260.8250 -203911.8380 2910.7891 0.0000 0.0000 52097.1968 -109458.4390 299.4033 -161555.6358 -109090.6236 299.3999 -65.0323 -45.1935 760944.4268 -2.1046 -2.1781 PRESSURE: 1038800 -280.382 -102.19 126.246 -102.191 115.619 125.409 126.246 125.409 -338.993 GPRESSURE: 1038800 -234.775 -117.215 90.6521 -234.302 132.257 252.476 115.206 45.7397 -310.56 PRESSAVG: 1038800 -11.6544 -12.4615 -25.4523 -12.4615 38.7205 -13.5493 -25.4523 -13.5493 5.12632 GPRESSAVG: 1038800 -13.3407 -12.0543 -24.7952 -12.3296 39.5045 -12.7241 -26.4325 -15.5476 5.49895 TIMING: 1038800 CPU: 3271.32, 0.00315078/step Wall: 3271.32, 0.00315078/step, 3.4669 hours remaining, 237.945312 MB of memory in use. ENERGY: 1038800 3948.4012 20548.3809 14504.5175 262.4585 -203413.7596 2615.8636 0.0000 0.0000 51972.5377 -109561.6003 298.6869 -161534.1380 -109193.5845 299.1323 -167.9189 -137.6928 762458.1996 10.7308 10.5542 PRESSURE: 1039000 -21.3928 -54.9403 104.217 -54.9417 -354.459 -40.9115 104.216 -40.9109 115.284 GPRESSURE: 1039000 10.1359 -52.3355 125.033 -2.84096 -307.376 -48.2373 20.3313 -80.7213 126.381 PRESSAVG: 1039000 -47.0621 0.124224 -24.5825 0.124208 55.9501 -44.0729 -24.5824 -44.0728 16.1982 GPRESSAVG: 1039000 -44.8863 1.84129 -26.4603 -0.70044 54.3883 -43.7999 -25.5775 -42.6169 14.8453 TIMING: 1039000 CPU: 3271.96, 0.0031613/step Wall: 3271.96, 0.0031613/step, 3.47831 hours remaining, 237.945312 MB of memory in use. ENERGY: 1039000 4026.5741 20565.0844 14522.8882 232.2732 -202912.5320 2328.1906 0.0000 0.0000 51931.6106 -109305.9109 298.4517 -161237.5216 -108946.4994 299.1398 -86.8560 -56.9532 763380.0773 8.3621 8.1158 PRESSURE: 1039200 -78.2903 -56.1639 -186.013 -56.1638 -75.9241 -172.03 -186.013 -172.029 1.95437 GPRESSURE: 1039200 -28.8492 -11.3987 -200.953 64.0679 -58.0957 -90.943 -26.8018 -87.6893 4.96345 PRESSAVG: 1039200 -43.1754 -40.7813 -37.7576 -40.7813 46.9726 -41.9254 -37.7577 -41.9254 6.3754 GPRESSAVG: 1039200 -44.2392 -42.1807 -36.309 -39.3368 47.4566 -42.3012 -33.9288 -42.8806 7.21761 TIMING: 1039200 CPU: 3272.59, 0.003167/step Wall: 3272.59, 0.003167/step, 3.4844 hours remaining, 237.945312 MB of memory in use. ENERGY: 1039200 4066.1472 20541.3737 14528.5038 263.1745 -203392.9630 2653.0802 0.0000 0.0000 52073.7262 -109266.9574 299.2684 -161340.6836 -108899.9716 299.1139 -50.7533 -27.3271 762215.7395 3.3909 3.4783 PRESSURE: 1039400 172.43 49.6398 -80.8892 49.6395 -130.466 34.9302 -80.889 34.9298 84.7315 GPRESSURE: 1039400 220.481 -45.5144 -146.186 13.1141 -114.529 44.1204 6.14685 107.971 107.315 PRESSAVG: 1039400 -8.67992 -26.0737 0.390389 -26.0737 25.5698 14.2069 0.390359 14.2069 -26.846 GPRESSAVG: 1039400 -8.99164 -26.9307 -0.146982 -26.5971 25.3315 15.198 0.346799 16.1926 -25.8819 TIMING: 1039400 CPU: 3273.22, 0.00317444/step Wall: 3273.22, 0.00317444/step, 3.49241 hours remaining, 237.945312 MB of memory in use. ENERGY: 1039400 4020.1440 20670.1651 14540.2803 241.7487 -203577.0481 2719.2943 0.0000 0.0000 52209.4590 -109175.9567 300.0485 -161385.4157 -108809.3024 299.7434 42.2317 71.0892 761231.8200 -3.3187 -3.1807 PRESSURE: 1039600 -51.1274 34.6723 131.888 34.6716 49.6552 75.2645 131.887 75.2628 212.023 GPRESSURE: 1039600 42.8006 -44.9799 85.6619 69.547 51.6913 30.4965 229.316 -22.6853 196.297 PRESSAVG: 1039600 -41.4672 -3.81479 62.5203 -3.81475 10.9497 -17.4202 62.5203 -17.4203 -1.92238 GPRESSAVG: 1039600 -40.6584 -4.3984 61.421 -4.23863 11.9909 -17.7208 60.7467 -17.3327 -3.49288 TIMING: 1039600 CPU: 3273.86, 0.00318506/step Wall: 3273.86, 0.00318506/step, 3.50392 hours remaining, 237.945312 MB of memory in use. ENERGY: 1039600 3988.2710 20345.9265 14431.7459 272.2975 -203488.9388 2736.0597 0.0000 0.0000 52384.4466 -109330.1917 301.0541 -161714.6382 -108959.4593 299.4609 70.1837 96.9297 762772.1187 -10.8133 -10.7201 PRESSURE: 1039800 -68.7516 -82.7957 -22.6997 -82.7956 -29.2878 16.7375 -22.7001 16.739 65.6419 GPRESSURE: 1039800 26.4729 -157.337 -22.3367 5.88009 -50.2563 -36.4989 129.877 38.5134 58.4584 PRESSAVG: 1039800 -11.9258 -41.0831 -10.0437 -41.0832 -13.6165 -31.4498 -10.0437 -31.4498 2.26777 GPRESSAVG: 1039800 -11.6323 -40.3351 -6.96543 -40.7302 -14.6923 -32.7583 -10.5037 -31.732 2.39645 TIMING: 1039800 CPU: 3274.49, 0.00316133/step Wall: 3274.49, 0.00316133/step, 3.47764 hours remaining, 237.945312 MB of memory in use. ENERGY: 1039800 3910.0141 20707.9405 14470.0749 256.5820 -203022.1677 2495.3587 0.0000 0.0000 52039.0774 -109143.1201 299.0693 -161182.1975 -108787.0998 299.4714 -10.7992 11.5584 763278.2017 -7.7582 -7.9760 PRESSURE: 1040000 27.1174 1.18096 -57.531 1.18181 202.356 17.7685 -57.5305 17.7686 -305.197 GPRESSURE: 1040000 9.30303 -14.8973 -56.5694 49.9814 224.727 101.848 -56.5163 27.2795 -216.517 PRESSAVG: 1040000 -12.043 -90.4519 -1.78352 -90.4518 22.5905 -48.0004 -1.78351 -48.0004 17.0465 GPRESSAVG: 1040000 -13.0564 -89.3158 -3.1318 -90.0677 22.4743 -48.0733 -1.41066 -50.1232 17.9534 TIMING: 1040000 CPU: 3275.13, 0.00317631/step Wall: 3275.13, 0.00317631/step, 3.49394 hours remaining, 237.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1040000 3996.8761 20512.4691 14472.0110 259.7918 -203254.9441 2702.8271 0.0000 0.0000 52228.6514 -109082.3176 300.1588 -161310.9690 -108721.4898 299.8545 -25.2412 5.8375 761087.2518 9.1980 9.1237 PRESSURE: 1040200 290.927 175.366 21.8442 175.365 345.741 67.0262 21.844 67.027 207.948 GPRESSURE: 1040200 335.586 44.8848 -34.307 53.0781 346.248 -47.9319 -74.8386 52.9315 243.716 PRESSAVG: 1040200 -41.9398 -78.737 -14.3417 -78.737 78.9735 -3.39484 -14.3416 -3.39483 -4.99419 GPRESSAVG: 1040200 -41.7899 -81.1893 -15.8079 -78.0278 79.1441 -2.84119 -15.7189 -4.72482 -5.12288 TIMING: 1040200 CPU: 3275.76, 0.00317424/step Wall: 3275.76, 0.00317424/step, 3.49148 hours remaining, 237.945312 MB of memory in use. ENERGY: 1040200 3956.9621 20609.0907 14492.5929 261.3615 -203136.8744 2611.5319 0.0000 0.0000 52176.3278 -109029.0075 299.8581 -161205.3353 -108667.3466 299.8093 281.5385 308.5167 761489.8041 10.6798 10.7438 LDB: ============= START OF LOAD BALANCING ============== 3288.16 LDB: ============== END OF LOAD BALANCING =============== 3288.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3288.17 LDB: ============= START OF LOAD BALANCING ============== 3288.48 LDB: Largest compute 7077 load 0.033511 is 17.1% of average load 0.195847 LDB: Average compute 0.004392 is 2.2% of average load 0.195847 LDB: TIME 3288.49 LOAD: AVG 0.195847 MAX 0.215499 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 235.754 MB LDB: TIME 3288.49 LOAD: AVG 0.195847 MAX 0.215499 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.754 MB LDB: TIME 3288.49 LOAD: AVG 0.195847 MAX 0.215499 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.754 MB LDB: ============== END OF LOAD BALANCING =============== 3288.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3288.5 PRESSURE: 1040400 150.524 54.0958 -269.384 54.0953 -107.253 -32.5128 -269.384 -32.5124 42.7127 GPRESSURE: 1040400 73.425 16.9103 -406.255 21.0793 -12.934 -10.8464 -291.935 -10.654 96.9187 PRESSAVG: 1040400 -16.7319 -34.3224 14.6649 -34.3224 -33.1525 30.0039 14.665 30.0039 21.1101 GPRESSAVG: 1040400 -15.9646 -34.2817 15.2659 -33.3662 -33.2518 30.6713 16.7355 31.8988 20.2778 TIMING: 1040400 CPU: 3276.41, 0.00324288/step Wall: 3276.41, 0.00324288/step, 3.56681 hours remaining, 236.265625 MB of memory in use. ENERGY: 1040400 3944.3898 20520.9421 14453.8422 257.4780 -203202.1611 2626.2678 0.0000 0.0000 52251.4545 -109147.7867 300.2898 -161399.2411 -108779.8948 299.6978 28.6614 52.4699 762116.9158 -9.5914 -9.6462 PRESSURE: 1040600 -47.7764 -123.533 68.5171 -123.533 -64.9518 -221.81 68.517 -221.81 -252.89 GPRESSURE: 1040600 73.3371 -189.586 0.176614 -139.202 -97.9605 -232.043 150.106 -130.05 -260.202 PRESSAVG: 1040600 0.779803 -9.45129 46.9994 -9.45132 27.7 21.5424 46.9994 21.5425 4.49893 GPRESSAVG: 1040600 1.05883 -5.67401 47.5009 -12.342 27.3416 20.8 47.8588 22.8327 4.69733 TIMING: 1040600 CPU: 3277.05, 0.00318074/step Wall: 3277.05, 0.00318074/step, 3.49829 hours remaining, 236.468750 MB of memory in use. ENERGY: 1040600 3952.4618 20537.4368 14477.4127 263.9083 -202644.5938 2174.2329 0.0000 0.0000 51873.5464 -109365.5949 298.1180 -161239.1413 -109009.6359 299.4899 -121.8728 -94.9417 761859.8581 10.9929 11.0326 PRESSURE: 1040800 62.8056 147.752 68.2558 147.752 205.617 -140.843 68.256 -140.843 375.354 GPRESSURE: 1040800 140.139 147.944 54.0335 102.032 207.646 -78.7171 111.424 -200.569 386.048 PRESSAVG: 1040800 34.3077 -17.7628 39.2641 -17.7628 -45.6945 -36.6748 39.2641 -36.6748 10.7111 GPRESSAVG: 1040800 33.7176 -21.2765 40.9435 -16.2594 -45.7272 -35.6328 36.9105 -36.3916 11.05 TIMING: 1040800 CPU: 3277.68, 0.0031495/step Wall: 3277.68, 0.0031495/step, 3.46375 hours remaining, 236.468750 MB of memory in use. ENERGY: 1040800 3885.9804 20420.8594 14501.5783 262.8469 -203031.5403 2288.5339 0.0000 0.0000 52218.9149 -109452.8266 300.1028 -161671.7415 -109091.4875 298.8583 214.5922 244.6108 760692.1461 -0.2252 -0.3199 PRESSURE: 1041000 128.891 -1.82128 -122.012 -1.82086 -46.2273 43.8847 -122.011 43.8843 -218.544 GPRESSURE: 1041000 124.037 10.2594 -108.721 -11.8355 0.997993 119.679 -64.1182 -25.019 -170.191 PRESSAVG: 1041000 38.6175 -2.84049 -15.3502 -2.84041 -19.7149 -48.8757 -15.3502 -48.8757 10.2792 GPRESSAVG: 1041000 37.5919 -1.58649 -17.5515 -3.57219 -19.1173 -48.751 -14.1482 -51.5496 11.0228 TIMING: 1041000 CPU: 3278.31, 0.00316564/step Wall: 3278.31, 0.00316564/step, 3.48132 hours remaining, 236.468750 MB of memory in use. ENERGY: 1041000 3969.5083 20511.0331 14455.9777 239.6591 -203419.9381 2708.2722 0.0000 0.0000 51914.6860 -109620.8016 298.3544 -161535.4876 -109267.3690 298.8653 -45.2933 -15.0519 762014.0697 9.7273 9.8325 PRESSURE: 1041200 -95.0945 145.904 -299.827 145.904 -559.024 -165.366 -299.826 -165.366 -70.6481 GPRESSURE: 1041200 -118.723 76.0387 -230.747 159.774 -435.267 -172.181 -195.332 -226.49 -104.712 PRESSAVG: 1041200 -52.4504 23.6825 -3.48395 23.6825 41.6627 0.217083 -3.48396 0.217213 -14.8187 GPRESSAVG: 1041200 -51.3773 23.7276 -1.87421 22.411 41.2198 -2.575 -6.18252 2.25893 -16.0075 TIMING: 1041200 CPU: 3278.94, 0.00316384/step Wall: 3278.94, 0.00316384/step, 3.47917 hours remaining, 236.468750 MB of memory in use. ENERGY: 1041200 3973.2756 20516.4279 14414.1018 235.0285 -202868.9854 2408.9220 0.0000 0.0000 51958.4000 -109362.8297 298.6056 -161321.2297 -109000.6126 298.4195 -241.5889 -219.5675 762564.1476 -8.5355 -8.7217 PRESSURE: 1041400 -433.205 61.2057 307.641 61.2051 22.9759 -178.634 307.64 -178.632 143.85 GPRESSURE: 1041400 -413.269 4.15977 236.191 -24.9643 73.3251 -193.314 267.455 -131.22 167.989 PRESSAVG: 1041400 -31.2366 1.34233 -7.15879 1.34228 72.4206 -14.0118 -7.1588 -14.0118 6.6084 GPRESSAVG: 1041400 -31.8851 0.598209 -8.71974 3.33582 72.8414 -12.198 -4.61646 -14.2927 6.47471 TIMING: 1041400 CPU: 3279.58, 0.00315681/step Wall: 3279.58, 0.00315681/step, 3.47127 hours remaining, 236.468750 MB of memory in use. ENERGY: 1041400 3974.0929 20417.7288 14397.4550 256.9501 -202972.4156 2320.3754 0.0000 0.0000 52024.0713 -109581.7422 298.9831 -161605.8134 -109217.8952 299.0217 -88.7932 -57.3183 762422.8392 15.9308 15.8103 PRESSURE: 1041600 -164.625 -48.5467 118.132 -48.5472 213.506 227.826 118.132 227.827 412.438 GPRESSURE: 1041600 -101.329 -64.5458 154.269 -79.7801 183.918 207.938 97.6605 161.077 444.285 PRESSAVG: 1041600 0.632522 12.2659 -47.1468 12.2659 66.2653 -41.6959 -47.1468 -41.6959 -9.17588 GPRESSAVG: 1041600 0.924146 12.8783 -46.9266 9.30895 65.1529 -42.0204 -48.9255 -41.4798 -8.80222 TIMING: 1041600 CPU: 3280.21, 0.00314689/step Wall: 3280.21, 0.00314689/step, 3.46018 hours remaining, 236.468750 MB of memory in use. ENERGY: 1041600 3960.3375 20390.9972 14474.3147 237.7006 -203018.9566 2482.2356 0.0000 0.0000 51910.5548 -109562.8162 298.3307 -161473.3710 -109203.8283 298.3846 153.7730 175.6244 762457.2949 19.2406 19.0916 PRESSURE: 1041800 231.574 67.314 68.2348 67.3143 160.897 18.0717 68.2354 18.0714 -36.0323 GPRESSURE: 1041800 273.47 149.495 135.8 43.9255 188.776 16.3065 126.12 -2.63413 -16.7404 PRESSAVG: 1041800 -82.2036 9.99155 -24.4072 9.99154 59.3106 -26.148 -24.4073 -26.148 9.58338 GPRESSAVG: 1041800 -82.2911 11.1119 -23.8742 10.9325 59.3276 -28.9017 -23.7737 -24.7039 9.96857 TIMING: 1041800 CPU: 3280.84, 0.00315333/step Wall: 3280.84, 0.00315333/step, 3.46709 hours remaining, 236.468750 MB of memory in use. ENERGY: 1041800 3935.0262 20378.1725 14452.1497 231.0870 -203636.6130 2902.1141 0.0000 0.0000 52249.5818 -109488.4817 300.2791 -161738.0635 -109120.7474 298.8627 118.8132 148.5017 760498.5807 -4.4365 -4.3316 PRESSURE: 1042000 137.312 66.6612 -384.812 66.6615 -182.427 -102.835 -384.811 -102.835 -228.503 GPRESSURE: 1042000 137.004 -62.1704 -412.907 20.0547 -149.11 -103.323 -388.678 -45.6829 -157.408 PRESSAVG: 1042000 -45.3429 3.02486 0.0723106 3.02491 28.0715 39.1777 0.0723139 39.1777 16.7292 GPRESSAVG: 1042000 -44.9187 0.509057 -0.870303 4.68386 28.1708 42.2099 -0.102037 36.9859 16.1914 TIMING: 1042000 CPU: 3281.47, 0.00316559/step Wall: 3281.47, 0.00316559/step, 3.48039 hours remaining, 236.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1042000 3942.2993 20642.7577 14519.3834 228.0213 -202872.0256 2069.7177 0.0000 0.0000 51720.7509 -109749.0951 297.2399 -161469.8461 -109392.8265 298.4869 -91.2063 -56.5045 762876.1070 -0.1807 -0.1855 PRESSURE: 1042200 -543.479 -61.4904 -108.669 -61.4904 -149.166 124.441 -108.669 124.442 -513.1 GPRESSURE: 1042200 -436.318 -39.7564 -123.963 -65.874 -152.018 68.9267 -126.186 0.574823 -533.247 PRESSAVG: 1042200 -42.2452 26.9325 -45.3125 26.9326 65.3961 -8.83697 -45.3125 -8.83705 -2.73147 GPRESSAVG: 1042200 -42.5104 27.2682 -43.8539 26.9738 65.281 -9.78586 -46.3115 -9.66457 -1.91686 TIMING: 1042200 CPU: 3282.1, 0.00315653/step Wall: 3282.1, 0.00315653/step, 3.47025 hours remaining, 236.468750 MB of memory in use. ENERGY: 1042200 4063.9339 20398.0732 14472.7302 230.5370 -203191.2420 2346.9913 0.0000 0.0000 51742.5180 -109936.4585 297.3650 -161678.9765 -109571.7289 298.1517 -401.9147 -373.8610 762609.0195 6.8065 6.9512 PRESSURE: 1042400 155.064 186.922 173.993 186.923 356.617 -44.0409 173.993 -44.0417 -135.971 GPRESSURE: 1042400 251.274 173.26 207.073 145.972 371.385 28.0381 62.1466 70.3344 -165.531 PRESSAVG: 1042400 -37.436 -53.969 -44.7666 -53.9689 1.0822 5.91917 -44.7666 5.91917 -19.865 GPRESSAVG: 1042400 -37.0196 -52.9377 -46.195 -55.2203 1.40071 6.91133 -41.8754 5.90103 -20.8196 TIMING: 1042400 CPU: 3282.73, 0.00315187/step Wall: 3282.73, 0.00315187/step, 3.46495 hours remaining, 236.468750 MB of memory in use. ENERGY: 1042400 3981.0765 20342.6026 14478.8759 261.8109 -203613.6770 2647.5357 0.0000 0.0000 51878.5656 -110023.2097 298.1468 -161901.7753 -109665.9122 297.2427 125.2368 152.3760 760486.5068 -18.7396 -18.8128 PRESSURE: 1042600 82.3825 -10.8182 -85.1219 -10.8173 76.5557 218.504 -85.1223 218.504 348.335 GPRESSURE: 1042600 107 -40.1602 -92.0637 -71.1131 90.5582 244.939 -124.664 42.7544 409.935 PRESSAVG: 1042600 -6.9238 -36.7551 -58.4835 -36.7551 5.7856 5.70108 -58.4835 5.70108 17.1 GPRESSAVG: 1042600 -7.63246 -38.9244 -58.3542 -35.6863 5.45112 6.32667 -58.1289 6.24671 18.3094 TIMING: 1042600 CPU: 3283.36, 0.00315358/step Wall: 3283.36, 0.00315358/step, 3.46666 hours remaining, 236.468750 MB of memory in use. ENERGY: 1042600 4002.2383 20411.2701 14365.4222 247.7422 -203579.0857 2676.2185 0.0000 0.0000 52061.3477 -109814.8467 299.1973 -161876.1944 -109450.1059 297.8660 169.0912 202.4977 760492.8078 5.3206 5.3760 PRESSURE: 1042800 75.6848 -72.4886 -190.81 -72.4879 83.8828 -93.2319 -190.809 -93.2316 -267.538 GPRESSURE: 1042800 197.385 -83.3934 -120.338 42.1451 103.389 -103.496 -54.3373 -222.468 -333.402 PRESSAVG: 1042800 -32.2339 -40.5793 0.0862234 -40.5792 -20.7353 0.176598 0.0862259 0.176617 -10.9795 GPRESSAVG: 1042800 -32.4325 -38.1922 -1.04092 -41.2212 -20.1991 -1.65154 -1.09735 0.307618 -11.4255 TIMING: 1042800 CPU: 3283.99, 0.00314434/step Wall: 3283.99, 0.00314434/step, 3.45632 hours remaining, 236.468750 MB of memory in use. ENERGY: 1042800 3962.7873 20478.4496 14379.4276 230.4555 -203293.2204 2477.5012 0.0000 0.0000 52096.8062 -109667.7928 299.4011 -161764.5990 -109311.2510 298.8262 -35.9900 -10.8762 762319.5850 -21.3162 -21.3524 PRESSURE: 1043000 -5.81672 -56.8688 104.396 -56.8699 -56.6 -12.4866 104.395 -12.4867 113.208 GPRESSURE: 1043000 71.7271 -117.015 21.7392 -67.9221 -56.7824 22.0974 106.407 -107.926 127.241 PRESSAVG: 1043000 -0.889794 -66.2871 -40.3913 -66.287 -8.93514 9.82388 -40.3913 9.82394 1.88969 GPRESSAVG: 1043000 0.258052 -67.4935 -39.542 -64.3282 -8.89631 11.8028 -40.5887 9.38123 0.942199 TIMING: 1043000 CPU: 3284.62, 0.0031611/step Wall: 3284.62, 0.0031611/step, 3.47458 hours remaining, 236.468750 MB of memory in use. ENERGY: 1043000 3964.0764 20410.6164 14466.5860 245.9544 -203097.7096 2343.6783 0.0000 0.0000 51915.2703 -109751.5276 298.3578 -161666.7980 -109388.7615 298.8309 16.9304 47.3953 760535.2629 -2.6451 -2.5654 PRESSURE: 1043200 -156.131 -36.8046 -215.42 -36.8044 -18.3524 14.3612 -215.42 14.3611 -360.527 GPRESSURE: 1043200 -88.9141 -55.6905 -181.299 -191.529 26.2674 -8.27996 -265.28 103.788 -383.917 PRESSAVG: 1043200 3.30324 -34.2468 -19.9216 -34.2467 14.9165 64.9447 -19.9216 64.9446 -4.77529 GPRESSAVG: 1043200 3.55958 -33.1307 -20.4217 -37.1508 13.8266 64.0445 -19.547 65.542 -4.08281 TIMING: 1043200 CPU: 3285.25, 0.00315968/step Wall: 3285.25, 0.00315968/step, 3.47284 hours remaining, 236.468750 MB of memory in use. ENERGY: 1043200 4022.7096 20547.9662 14413.4384 269.6009 -203445.1290 2529.2428 0.0000 0.0000 51862.2778 -109799.8932 298.0532 -161662.1710 -109439.5440 298.1348 -178.3368 -148.8546 762075.5860 4.4815 4.4345 PRESSURE: 1043400 195.437 -177.171 98.9508 -177.17 -225.782 91.7288 98.9505 91.7285 376.379 GPRESSURE: 1043400 171.734 -215.185 78.7008 -123.914 -126.521 37.9943 118.325 265.738 375.979 PRESSAVG: 1043400 -10.0264 -22.6528 19.4378 -22.6528 71.8914 6.23254 19.4377 6.2325 -1.21436 GPRESSAVG: 1043400 -11.9133 -23.5601 20.1417 -21.1702 73.1587 7.14719 20.5762 5.26294 -0.621331 TIMING: 1043400 CPU: 3285.89, 0.0031677/step Wall: 3285.89, 0.0031677/step, 3.48148 hours remaining, 236.468750 MB of memory in use. ENERGY: 1043400 3972.7684 20540.1928 14402.9451 249.8490 -203478.2715 2443.6666 0.0000 0.0000 52201.3535 -109667.4961 300.0019 -161868.8496 -109317.2597 298.7424 115.3445 140.3971 760426.5673 20.2169 20.2080 PRESSURE: 1043600 -25.5175 8.20279 -238.003 8.20186 107.906 21.1622 -238.002 21.1619 117.751 GPRESSURE: 1043600 62.8196 47.5939 -181.335 -64.9172 64.9905 78.163 -192.321 -130.362 150.973 PRESSAVG: 1043600 18.7787 -58.0266 -37.685 -58.0266 -28.2054 -0.342238 -37.685 -0.342262 11.5389 GPRESSAVG: 1043600 19.207 -58.0292 -37.8231 -57.9191 -29.5114 -1.97764 -39.1387 -0.472583 12.0176 TIMING: 1043600 CPU: 3286.52, 0.00316429/step Wall: 3286.52, 0.00316429/step, 3.47756 hours remaining, 236.468750 MB of memory in use. ENERGY: 1043600 3945.3742 20535.3200 14499.1903 245.1549 -203571.4747 2717.4458 0.0000 0.0000 51850.2763 -109778.7132 297.9843 -161628.9895 -109411.6917 298.6152 66.7131 92.9277 761192.2568 0.7041 0.5711 PRESSURE: 1043800 -328.13 83.6375 -156.541 83.6375 63.8638 220.565 -156.541 220.564 -149.602 GPRESSURE: 1043800 -230.775 83.4997 -198.647 138.985 1.90232 208.785 -62.2903 302.39 -93.1094 PRESSAVG: 1043800 1.25499 -41.9279 15.2109 -41.9279 -8.39699 12.9566 15.2109 12.9566 -40.1864 GPRESSAVG: 1043800 0.416229 -43.9989 14.7818 -41.0158 -7.53773 13.235 17.5788 14.9399 -39.8585 TIMING: 1043800 CPU: 3287.15, 0.00316887/step Wall: 3287.15, 0.00316887/step, 3.48242 hours remaining, 236.468750 MB of memory in use. ENERGY: 1043800 3918.0943 20737.8673 14473.9901 250.6177 -203643.2131 2533.6891 0.0000 0.0000 52086.0941 -109642.8604 299.3395 -161728.9545 -109280.5069 299.1785 -137.9560 -107.3274 762217.5798 -15.7761 -15.6600 PRESSURE: 1044000 64.9379 -135.182 361.969 -135.183 -54.645 20.8418 361.969 20.8415 149.352 GPRESSURE: 1044000 72.8223 -128.662 279.089 -105.132 52.4357 44.8086 354.176 -57.9747 116.25 PRESSAVG: 1044000 7.95342 22.859 0.0189038 22.859 -25.2445 1.77395 0.0189289 1.77404 6.17688 GPRESSAVG: 1044000 8.81134 24.8366 0.213083 20.4497 -25.7995 3.75698 -2.29592 -0.669722 5.75943 TIMING: 1044000 CPU: 3287.79, 0.00316406/step Wall: 3287.79, 0.00316406/step, 3.47695 hours remaining, 236.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1044000 4005.9858 20476.8497 14512.5974 248.0855 -203536.9043 2586.7035 0.0000 0.0000 52162.4896 -109544.1928 299.7785 -161706.6824 -109175.6240 299.1048 53.2150 80.5027 761543.5925 -3.7047 -3.7429 PRESSURE: 1044200 -400.065 48.5528 33.3395 48.553 -171.903 44.9036 33.3391 44.9044 -227.119 GPRESSURE: 1044200 -363.501 81.7611 34.0266 58.8017 -83.3615 14.7706 15.7805 78.4004 -264.057 PRESSAVG: 1044200 16.2983 24.8614 21.9017 24.8614 0.463384 8.5228 21.9017 8.52288 -26.7636 GPRESSAVG: 1044200 16.2514 23.4997 22.3682 24.3 1.02729 7.07964 21.7629 7.13806 -27.1696 TIMING: 1044200 CPU: 3288.42, 0.00315686/step Wall: 3288.42, 0.00315686/step, 3.46886 hours remaining, 236.468750 MB of memory in use. ENERGY: 1044200 3953.2465 20638.2374 14501.4537 254.3271 -203577.9283 2508.6300 0.0000 0.0000 52025.0136 -109697.0199 298.9885 -161722.0335 -109328.0725 299.7073 -266.3623 -236.9730 761750.1835 -3.3339 -3.2970 LDB: ============= START OF LOAD BALANCING ============== 3300.82 LDB: ============== END OF LOAD BALANCING =============== 3300.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3300.82 LDB: ============= START OF LOAD BALANCING ============== 3301.14 LDB: Largest compute 7077 load 0.035041 is 17.9% of average load 0.195861 LDB: Average compute 0.004383 is 2.2% of average load 0.195861 LDB: TIME 3301.14 LOAD: AVG 0.195861 MAX 0.219356 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.336 MB LDB: TIME 3301.14 LOAD: AVG 0.195861 MAX 0.219356 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.406 MB LDB: TIME 3301.14 LOAD: AVG 0.195861 MAX 0.219356 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.406 MB LDB: ============== END OF LOAD BALANCING =============== 3301.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3301.15 PRESSURE: 1044400 -130.921 -247.582 -15.3998 -247.583 225.841 42.8716 -15.4005 42.8714 -185.503 GPRESSURE: 1044400 -165.578 -263.797 50.8154 -192.613 319.79 43.6536 16.598 94.4224 -174.427 PRESSAVG: 1044400 4.6994 -43.401 -14.5415 -43.401 -9.80438 15.8875 -14.5415 15.8874 -5.74689 GPRESSAVG: 1044400 3.58487 -43.141 -14.4641 -44.6578 -10.6467 17.0567 -12.636 16.1352 -4.92074 TIMING: 1044400 CPU: 3289.06, 0.00322032/step Wall: 3289.06, 0.00322032/step, 3.53841 hours remaining, 237.867188 MB of memory in use. ENERGY: 1044400 3978.0732 20545.0770 14535.7011 239.1198 -203589.8654 2526.5337 0.0000 0.0000 51936.9671 -109828.3936 298.4825 -161765.3607 -109457.5328 298.8840 -30.1942 -6.7381 761462.4258 -3.6173 -3.9942 PRESSURE: 1044600 -92.9523 27.8922 65.9478 27.8925 -196.961 -73.3826 65.9475 -73.3823 34.8808 GPRESSURE: 1044600 -22.8178 -41.1829 21.1046 47.2824 -217.495 -99.7343 77.2391 54.6168 79.4881 PRESSAVG: 1044600 66.71 -65.8228 -42.2831 -65.8229 -15.106 7.5746 -42.2831 7.57449 9.05769 GPRESSAVG: 1044600 66.3828 -63.8564 -40.2788 -64.3921 -15.1841 6.63548 -45.4324 8.74781 9.68694 TIMING: 1044600 CPU: 3289.7, 0.00316042/step Wall: 3289.7, 0.00316042/step, 3.47243 hours remaining, 238.269531 MB of memory in use. ENERGY: 1044600 3972.4741 20614.6741 14521.7248 251.6211 -203398.2227 2587.7825 0.0000 0.0000 51642.2014 -109807.7447 296.7884 -161449.9461 -109458.0667 298.4270 -85.0109 -53.6082 760466.6153 20.2206 20.2952 PRESSURE: 1044800 -84.4186 45.6194 267.895 45.6202 -53.2417 36.7043 267.894 36.7032 -374.212 GPRESSURE: 1044800 -43.4666 151.632 273.138 5.51271 -93.4907 20.4907 163.752 71.1641 -287.897 PRESSAVG: 1044800 19.4042 -81.2736 -6.85979 -81.2736 -39.5505 -14.7632 -6.85974 -14.7633 6.51739 GPRESSAVG: 1044800 19.6922 -83.4668 -8.94132 -80.405 -40.6721 -15.2554 -4.98958 -14.6783 7.20259 TIMING: 1044800 CPU: 3290.33, 0.00316226/step Wall: 3290.33, 0.00316226/step, 3.47427 hours remaining, 238.269531 MB of memory in use. ENERGY: 1044800 3915.2650 20414.6091 14502.9502 264.9578 -203217.1662 2330.7130 0.0000 0.0000 52311.4089 -109477.2622 300.6344 -161788.6711 -109111.8135 298.8985 -170.6240 -141.6182 761168.3719 -4.5430 -4.5924 PRESSURE: 1045000 326.321 74.0763 286.688 74.0766 66.9972 -361.522 286.688 -361.522 -67.9335 GPRESSURE: 1045000 336.862 42.1656 377.288 17.6619 159.781 -337.591 224.2 -170.993 -57.1311 PRESSAVG: 1045000 90.5948 -9.68967 -21.5646 -9.6897 -72.3831 -53.6898 -21.5647 -53.6897 -12.6907 GPRESSAVG: 1045000 90.1551 -9.02814 -22.3109 -9.01875 -72.1491 -54.6218 -22.6998 -51.837 -12.5651 TIMING: 1045000 CPU: 3290.96, 0.00317154/step Wall: 3290.96, 0.00317154/step, 3.48429 hours remaining, 238.355469 MB of memory in use. ENERGY: 1045000 4001.4675 20544.4658 14530.7355 268.8694 -203766.7691 2789.9003 0.0000 0.0000 52158.6801 -109472.6505 299.7567 -161631.3306 -109123.6401 299.3180 108.4617 146.5039 760695.4527 1.8403 1.8136 PRESSURE: 1045200 54.3747 -49.1778 -346.507 -49.1775 -356.666 103.526 -346.506 103.527 -173.9 GPRESSURE: 1045200 26.5695 -1.64132 -348.706 -25.443 -243.731 -13.7766 -235.717 65.5143 -162.24 PRESSAVG: 1045200 36.6622 -26.8085 22.5459 -26.8084 -44.2955 4.17703 22.5459 4.177 24.6987 GPRESSAVG: 1045200 37.2637 -26.8738 23.7595 -27.3332 -43.5387 4.44449 23.8849 4.12273 23.104 TIMING: 1045200 CPU: 3291.59, 0.00314843/step Wall: 3291.59, 0.00314843/step, 3.45873 hours remaining, 238.355469 MB of memory in use. ENERGY: 1045200 4015.3071 20547.9652 14407.9093 233.0150 -203181.9510 2293.5688 0.0000 0.0000 52079.2109 -109604.9746 299.2999 -161684.1855 -109242.7215 299.2485 -158.7304 -126.4672 760955.5179 5.6885 5.6097 PRESSURE: 1045400 -182.998 -90.3109 55.038 -90.3115 276.165 -12.7794 55.0383 -12.7799 271.093 GPRESSURE: 1045400 -98.1102 -150.923 101.207 -95.9628 323.207 -81.2743 -52.4142 -48.4698 232.884 PRESSAVG: 1045400 51.0102 -26.9639 53.7168 -26.964 -66.3481 -30.1584 53.7167 -30.1584 -8.9128 GPRESSAVG: 1045400 51.7129 -23.9886 52.9277 -29.0816 -66.1976 -28.2217 52.3132 -34.0191 -9.51625 TIMING: 1045400 CPU: 3292.22, 0.00315779/step Wall: 3292.22, 0.00315779/step, 3.46884 hours remaining, 238.355469 MB of memory in use. ENERGY: 1045400 4077.9082 20502.0333 14479.6642 251.6200 -203693.5728 2596.8464 0.0000 0.0000 51958.1695 -109827.3311 298.6043 -161785.5006 -109469.7259 298.3483 121.4202 152.6602 759272.8640 -8.0836 -8.0003 PRESSURE: 1045600 -137.931 57.1602 -138.656 57.1596 132.937 -13.6001 -138.656 -13.6012 -310.272 GPRESSURE: 1045600 -32.6867 -14.184 -149.13 -23.5492 67.1682 -108.415 -76.0229 63.7833 -273.761 PRESSAVG: 1045600 24.6192 -26.3875 -52.7602 -26.3875 -5.40973 -74.739 -52.7602 -74.7389 -2.31001 GPRESSAVG: 1045600 23.3215 -27.0584 -51.8227 -26.58 -5.99506 -75.4889 -53.1782 -73.0932 -0.35163 TIMING: 1045600 CPU: 3292.85, 0.00313653/step Wall: 3292.85, 0.00313653/step, 3.44531 hours remaining, 238.355469 MB of memory in use. ENERGY: 1045600 3995.1846 20630.5481 14506.7564 240.6043 -203425.1645 2538.9849 0.0000 0.0000 52066.2630 -109446.8232 299.2255 -161513.0862 -109088.4839 298.7071 -105.0888 -79.7597 761212.9453 5.6332 5.6583 PRESSURE: 1045800 -242.244 -10.5802 40.7213 -10.5802 4.65335 -54.4592 40.7209 -54.4603 -161.826 GPRESSURE: 1045800 -289.59 153.747 -12.4777 7.88569 14.7609 -104.566 147.662 33.9266 -59.5103 PRESSAVG: 1045800 -10.3376 -46.19 25.6334 -46.19 4.29737 9.68842 25.6334 9.68845 15.2006 GPRESSAVG: 1045800 -9.98204 -46.3662 25.5279 -45.3467 4.87419 11.7349 26.9805 9.87198 14.5102 TIMING: 1045800 CPU: 3293.48, 0.00315115/step Wall: 3293.48, 0.00315115/step, 3.46118 hours remaining, 238.355469 MB of memory in use. ENERGY: 1045800 4011.0508 20668.1619 14379.6439 218.5777 -203158.9654 2458.8366 0.0000 0.0000 52014.5685 -109408.1259 298.9284 -161422.6944 -109044.2827 299.0766 -133.1389 -111.4465 762866.0432 3.0535 3.1341 PRESSURE: 1046000 -28.4629 81.2675 -58.3151 81.2676 -166.762 -6.51453 -58.3143 -6.51336 -181.537 GPRESSURE: 1046000 53.0276 -14.3879 -9.65832 102.704 -95.596 61.5839 -171.75 -103.793 -258.156 PRESSAVG: 1046000 16.3006 -33.3439 -46.1616 -33.3439 2.52235 -11.2248 -46.1616 -11.2248 -2.50474 GPRESSAVG: 1046000 16.0729 -36.1528 -46.2281 -31.229 2.60686 -11.7937 -47.5271 -11.3835 -2.48426 TIMING: 1046000 CPU: 3294.11, 0.00315231/step Wall: 3294.11, 0.00315231/step, 3.46229 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1046000 4049.4779 20488.8471 14437.5455 240.6040 -203092.0444 2507.3420 0.0000 0.0000 52106.2490 -109261.9789 299.4553 -161368.2278 -108908.6771 299.5584 -125.5871 -100.2413 762740.4698 5.4394 5.3985 PRESSURE: 1046200 -434.492 -95.6008 57.0481 -95.6017 -279.11 393.548 57.0495 393.547 -387.921 GPRESSURE: 1046200 -314.505 -50.0092 -30.0877 -174.649 -289.541 341.284 -16.245 416.227 -391.274 PRESSAVG: 1046200 -38.2674 -39.7673 -0.579677 -39.7673 -6.88018 20.215 -0.579629 20.215 -7.32707 GPRESSAVG: 1046200 -36.8321 -39.2831 0.0495457 -40.4897 -6.97363 19.534 -1.62538 18.9691 -8.68651 TIMING: 1046200 CPU: 3294.74, 0.00316697/step Wall: 3294.74, 0.00316697/step, 3.47821 hours remaining, 238.355469 MB of memory in use. ENERGY: 1046200 4101.8582 20593.9318 14494.7796 248.8639 -203124.4620 2255.9446 0.0000 0.0000 52016.5454 -109412.5385 298.9398 -161429.0839 -109048.5593 299.2096 -367.1741 -331.7734 762102.9526 -17.4915 -17.4974 PRESSURE: 1046400 -142.858 221.834 -68.2136 221.835 -15.4515 55.8592 -68.2144 55.8592 212.265 GPRESSURE: 1046400 -122.558 176.63 -3.51289 245.535 16.7702 95.308 -102.017 -12.1125 254.629 PRESSAVG: 1046400 -62.7124 -35.5711 -28.2669 -35.5711 38.2876 -3.22742 -28.267 -3.2273 -1.92265 GPRESSAVG: 1046400 -62.6498 -35.8994 -28.7921 -34.7416 37.0457 -2.93757 -28.617 -2.07404 -1.04637 TIMING: 1046400 CPU: 3295.38, 0.00315699/step Wall: 3295.38, 0.00315699/step, 3.46708 hours remaining, 238.355469 MB of memory in use. ENERGY: 1046400 4009.7263 20598.7125 14401.9365 259.6782 -203350.4402 2719.9255 0.0000 0.0000 51813.0624 -109547.3988 297.7704 -161360.4612 -109194.3072 299.3049 17.9852 49.6135 763112.6745 -8.7825 -8.8835 PRESSURE: 1046600 -12.2252 -168.54 -110.018 -168.54 -241.416 -16.5519 -110.017 -16.5527 -162.968 GPRESSURE: 1046600 60.9294 -209.127 -149.09 -179.898 -223.408 -110.562 30.4872 22.5761 -180.449 PRESSAVG: 1046600 28.6998 28.8217 24.075 28.8217 -13.8518 25.3102 24.0749 25.3102 -31.3134 GPRESSAVG: 1046600 28.8279 30.6358 24.112 28.7 -13.3108 24.507 27.5154 25.011 -32.3242 TIMING: 1046600 CPU: 3296.01, 0.00314826/step Wall: 3296.01, 0.00314826/step, 3.45732 hours remaining, 238.355469 MB of memory in use. ENERGY: 1046600 3984.2776 20568.2562 14489.6392 265.8540 -203531.7627 2670.1349 0.0000 0.0000 52221.8386 -109331.7620 300.1196 -161553.6006 -108966.7404 299.3193 -138.8695 -114.3092 762443.0379 -5.4885 -5.6024 PRESSURE: 1046800 -223.793 145.372 -68.5013 145.372 -253.123 -146.204 -68.5014 -146.203 132.201 GPRESSURE: 1046800 -145.87 -6.9932 -146.491 90.7783 -201.844 -166.79 -66.0093 -14.3622 92.0504 PRESSAVG: 1046800 25.183 -8.40594 -14.2745 -8.40598 19.634 72.7366 -14.2745 72.7367 1.17893 GPRESSAVG: 1046800 25.2665 -8.92668 -13.5361 -7.80175 20.2372 72.1342 -14.1809 77.7972 0.80911 TIMING: 1046800 CPU: 3296.64, 0.00317585/step Wall: 3296.64, 0.00317585/step, 3.48743 hours remaining, 238.355469 MB of memory in use. ENERGY: 1046800 4009.1824 20508.0401 14380.1972 239.2093 -203433.4648 2566.4623 0.0000 0.0000 52307.9105 -109422.4629 300.6143 -161730.3734 -109058.3133 299.4360 -114.9050 -85.2211 762140.1141 15.3320 15.4376 PRESSURE: 1047000 -135.37 4.2282 -179.477 4.22827 -133.612 101.309 -179.477 101.31 -371.825 GPRESSURE: 1047000 -101.853 -51.1876 -213.247 -71.4723 -94.0669 110.729 -114.367 4.28067 -359.827 PRESSAVG: 1047000 19.7841 -74.4299 1.0979 -74.4299 -2.01802 30.6174 1.09789 30.6174 22.4011 GPRESSAVG: 1047000 19.4724 -75.4225 1.29347 -73.5989 -3.35337 31.6023 -0.811451 26.8727 24.2877 TIMING: 1047000 CPU: 3297.27, 0.00314886/step Wall: 3297.27, 0.00314886/step, 3.45762 hours remaining, 238.355469 MB of memory in use. ENERGY: 1047000 4081.0153 20556.1184 14486.6081 247.0052 -203476.8067 2359.3441 0.0000 0.0000 52286.2726 -109460.4429 300.4899 -161746.7155 -109100.7197 299.1450 -213.6024 -185.2487 759968.1717 13.3891 13.4689 PRESSURE: 1047200 297.044 -242.85 50.0582 -242.85 -80.6206 -130.613 50.0569 -130.612 295.393 GPRESSURE: 1047200 364.072 -297.298 46.7242 -200.562 -70.3353 -86.3595 81.3236 -151.532 291.693 PRESSAVG: 1047200 31.5616 -31.7601 -2.43059 -31.7602 -61.5328 -50.3038 -2.43057 -50.3038 -9.40392 GPRESSAVG: 1047200 32.2698 -33.3699 -2.99958 -33.1182 -61.7107 -50.9541 -2.62359 -52.1832 -10.3253 TIMING: 1047200 CPU: 3297.9, 0.00314869/step Wall: 3297.9, 0.00314869/step, 3.45726 hours remaining, 238.355469 MB of memory in use. ENERGY: 1047200 3949.7293 20611.5844 14535.4096 241.3880 -203806.9851 2804.4799 0.0000 0.0000 52015.3365 -109649.0574 298.9329 -161664.3939 -109295.3326 299.3851 170.6055 195.1434 760351.5954 -13.1251 -13.2554 PRESSURE: 1047400 9.54582 -77.4892 -67.1797 -77.4893 60.35 -32.4371 -67.18 -32.436 -36.9681 GPRESSURE: 1047400 1.42185 -12.5047 -27.2984 48.2277 112.416 34.7322 -32.0558 -28.8126 -0.379555 PRESSAVG: 1047400 4.07417 -69.1224 -21.2145 -69.1224 5.72772 9.9285 -21.2145 9.92855 2.83639 GPRESSAVG: 1047400 3.29294 -66.7107 -20.4297 -68.8789 7.15193 10.3286 -19.6298 10.6213 2.35598 TIMING: 1047400 CPU: 3298.53, 0.00314797/step Wall: 3298.53, 0.00314797/step, 3.45629 hours remaining, 238.355469 MB of memory in use. ENERGY: 1047400 4012.0150 20544.0136 14473.0296 231.9719 -203753.3298 2692.6367 0.0000 0.0000 52117.4742 -109682.1888 299.5198 -161799.6630 -109326.5363 298.9975 10.9759 37.8194 760629.4468 4.2128 4.2669 PRESSURE: 1047600 -530.784 -35.4429 -75.8948 -35.443 -398.147 84.0189 -75.8949 84.0194 -423.177 GPRESSURE: 1047600 -503.396 -181.28 4.02736 -7.58648 -440.232 129.262 -34.9144 143.014 -325.469 PRESSAVG: 1047600 9.43405 -34.0943 -1.11056 -34.0943 -10.6326 2.54197 -1.11056 2.54197 14.2402 GPRESSAVG: 1047600 10.2134 -33.4595 -0.830434 -34.3565 -11.1448 2.22764 -2.24582 4.20903 13.8297 TIMING: 1047600 CPU: 3299.16, 0.00315797/step Wall: 3299.16, 0.00315797/step, 3.4671 hours remaining, 238.355469 MB of memory in use. ENERGY: 1047600 3987.2882 20629.6081 14512.2362 254.8939 -203563.7898 2618.1804 0.0000 0.0000 51789.9062 -109771.6769 297.6373 -161561.5831 -109408.6567 299.1957 -450.7025 -423.0324 761130.8055 4.3472 4.2994 PRESSURE: 1047800 -234.87 60.8321 330.33 60.8313 135.965 65.3014 330.329 65.3023 -324.523 GPRESSURE: 1047800 -244.61 -22.8245 394.932 -10.448 135.291 -10.6541 266.491 20.275 -237.939 PRESSAVG: 1047800 2.1041 -65.2852 37.6361 -65.2851 4.01526 -13.3855 37.6362 -13.3855 -13.1737 GPRESSAVG: 1047800 2.0133 -65.7975 37.1367 -65.7082 3.91148 -12.4602 38.9947 -14.26 -13.1413 TIMING: 1047800 CPU: 3299.79, 0.00316617/step Wall: 3299.79, 0.00316617/step, 3.47592 hours remaining, 238.355469 MB of memory in use. ENERGY: 1047800 3914.7885 20748.9088 14417.5024 227.9781 -204032.4978 2932.4682 0.0000 0.0000 52072.8586 -109717.9932 299.2634 -161790.8517 -109357.4106 298.7749 -141.1425 -115.7528 760282.4812 -2.3514 -2.4055 PRESSURE: 1048000 -89.8595 -160.139 31.5079 -160.139 -147.859 25.7512 31.507 25.7513 278.382 GPRESSURE: 1048000 -38.9831 -210.28 63.9406 -48.4843 -194.232 42.4774 -84.4286 32.1522 341.391 PRESSAVG: 1048000 42.3758 -28.5809 10.1932 -28.5809 -32.5011 8.95226 10.1932 8.95229 -14.9402 GPRESSAVG: 1048000 42.9165 -30.6756 10.0869 -27.9887 -33.2042 5.95179 8.41565 7.84338 -14.5379 TIMING: 1048000 CPU: 3300.42, 0.00314269/step Wall: 3300.42, 0.00314269/step, 3.44997 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1048000 3955.8227 20663.5531 14477.3287 246.9467 -203741.0810 2667.7087 0.0000 0.0000 51928.4025 -109801.3185 298.4332 -161729.7210 -109449.0983 298.0496 13.5547 36.0584 760703.6309 -1.6885 -1.6085 PRESSURE: 1048200 382.435 216.881 -2.4562 216.881 78.603 -129.064 -2.45722 -129.063 78.6016 GPRESSURE: 1048200 309.271 161.088 136.552 202.507 241.303 -139.568 -63.1531 -45.7378 75.7874 PRESSAVG: 1048200 -6.6305 -29.0133 2.041 -29.0133 11.5975 5.88242 2.04095 5.88242 -19.7689 GPRESSAVG: 1048200 -6.47613 -25.5633 1.84564 -29.6413 12.4302 8.33735 0.734934 6.07092 -20.5004 TIMING: 1048200 CPU: 3301.05, 0.00314402/step Wall: 3301.05, 0.00314402/step, 3.45126 hours remaining, 238.355469 MB of memory in use. ENERGY: 1048200 4050.4193 20659.8131 14500.9603 238.7031 -203972.7899 2928.2931 0.0000 0.0000 51940.9229 -109653.6781 298.5052 -161594.6010 -109300.8409 298.8754 179.8798 208.7873 759608.9987 -4.9340 -4.8488 LDB: ============= START OF LOAD BALANCING ============== 3313.45 LDB: ============== END OF LOAD BALANCING =============== 3313.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3313.45 LDB: ============= START OF LOAD BALANCING ============== 3313.77 LDB: Largest compute 7035 load 0.033808 is 17.3% of average load 0.195899 LDB: Average compute 0.004376 is 2.2% of average load 0.195899 LDB: TIME 3313.77 LOAD: AVG 0.195899 MAX 0.217012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.223 MB LDB: TIME 3313.77 LOAD: AVG 0.195899 MAX 0.217012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.266 MB LDB: TIME 3313.77 LOAD: AVG 0.195899 MAX 0.217012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.266 MB LDB: ============== END OF LOAD BALANCING =============== 3313.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3313.78 PRESSURE: 1048400 164.389 -187.253 -27.6804 -187.253 19.7324 -237.914 -27.6808 -237.914 201.734 GPRESSURE: 1048400 226.692 -147.157 -53.1456 -117.367 15.8057 -148.762 120.279 -229.339 221.446 PRESSAVG: 1048400 -6.34825 23.5391 -48.6831 23.5391 34.3921 44.1584 -48.6831 44.1584 -0.333276 GPRESSAVG: 1048400 -7.07796 23.4568 -48.033 22.7262 33.5285 42.424 -47.8321 45.0137 0.869286 TIMING: 1048400 CPU: 3301.7, 0.00321655/step Wall: 3301.7, 0.00321655/step, 3.5307 hours remaining, 237.839844 MB of memory in use. ENERGY: 1048400 3978.9701 20471.0078 14519.5019 257.5870 -203624.8475 2556.4388 0.0000 0.0000 52013.7465 -109827.5953 298.9237 -161841.3418 -109471.3064 298.3759 128.6185 154.6481 760379.9420 9.2369 9.1066 PRESSURE: 1048600 460.935 -190.718 41.9288 -190.718 19.0336 56.3167 41.9292 56.3166 1.09522 GPRESSURE: 1048600 351.325 -173.08 25.1191 -97.6936 160.721 -12.5819 84.7447 72.6666 46.0695 PRESSAVG: 1048600 22.7602 -4.23943 -12.6404 -4.23949 -25.6547 -16.4705 -12.6404 -16.4705 -2.79757 GPRESSAVG: 1048600 22.1308 -4.16409 -14.7645 -4.20997 -25.7358 -15.5258 -10.2839 -17.49 -2.06198 TIMING: 1048600 CPU: 3302.33, 0.00316815/step Wall: 3302.33, 0.00316815/step, 3.4774 hours remaining, 237.839844 MB of memory in use. ENERGY: 1048600 3979.7635 20437.9740 14504.7747 241.6656 -203766.5525 2750.5180 0.0000 0.0000 51971.2363 -109880.6205 298.6794 -161851.8568 -109521.7328 298.7072 160.3546 186.0384 759443.4102 -1.8974 -1.8890 PRESSURE: 1048800 105.168 85.8109 -288.139 85.8102 429.66 -27.9981 -288.139 -27.9976 -59.6249 GPRESSURE: 1048800 161.819 155.704 -261.976 44.5125 412.152 -47.0475 -207.973 69.527 -12.7973 PRESSAVG: 1048800 -20.7182 -2.88139 -41.9156 -2.88148 -24.7533 35.4122 -41.9156 35.4122 0.298377 GPRESSAVG: 1048800 -19.5487 -2.81302 -41.3602 -1.05401 -24.9372 36.2819 -45.5358 35.7654 -0.626334 TIMING: 1048800 CPU: 3302.96, 0.00317206/step Wall: 3302.96, 0.00317206/step, 3.48151 hours remaining, 237.839844 MB of memory in use. ENERGY: 1048800 3979.8958 20504.0746 14440.3229 234.4137 -203747.4088 2948.8586 0.0000 0.0000 51812.6247 -109827.2184 297.7679 -161639.8431 -109469.7616 298.3738 158.4008 187.0580 761076.9037 -15.0577 -15.0374 PRESSURE: 1049000 182.417 57.3771 306.118 57.3767 -311.801 -25.8598 306.118 -25.8591 -60.5588 GPRESSURE: 1049000 157.204 66.1085 340.024 -48.4789 -292.131 -94.5358 237.686 -146.565 31.7915 PRESSAVG: 1049000 -56.8037 60.5535 -0.0115408 60.5534 11.1835 -6.32405 -0.0115601 -6.32401 -16.2904 GPRESSAVG: 1049000 -56.2838 59.9245 0.549398 59.3809 10.7965 -6.9581 1.4142 -6.15561 -16.0825 TIMING: 1049000 CPU: 3303.6, 0.00318715/step Wall: 3303.6, 0.00318715/step, 3.49789 hours remaining, 237.839844 MB of memory in use. ENERGY: 1049000 3883.8134 20744.1069 14433.0425 243.9933 -203421.4307 2489.9106 0.0000 0.0000 51883.4822 -109743.0819 298.1751 -161626.5641 -109378.3034 298.6232 -63.3143 -34.3786 760920.5604 -20.6369 -20.5233 PRESSURE: 1049200 -18.9003 -15.1607 -85.5062 -15.1603 -304.893 100.394 -85.5055 100.394 56.6916 GPRESSURE: 1049200 26.4786 20.6257 -119.118 101.151 -270.014 107.043 -117.562 -55.4185 55.8893 PRESSAVG: 1049200 5.55387 -0.931714 -19.7725 -0.931709 55.85 56.9088 -19.7725 56.9088 21.6019 GPRESSAVG: 1049200 4.93301 0.135068 -19.9227 -2.64796 56.6502 55.8214 -19.4635 58.0504 21.821 TIMING: 1049200 CPU: 3304.24, 0.00318653/step Wall: 3304.24, 0.00318653/step, 3.49704 hours remaining, 237.839844 MB of memory in use. ENERGY: 1049200 4082.7853 20511.2594 14521.0895 227.9306 -204044.3577 3025.6633 0.0000 0.0000 52082.3665 -109593.2632 299.3181 -161675.6296 -109236.7611 298.5592 -89.0340 -62.5486 760222.0581 27.6686 27.8014 PRESSURE: 1049400 46.2424 96.3655 -273.846 96.3652 -186.145 -132.926 -273.848 -132.926 -575.072 GPRESSURE: 1049400 43.4276 87.1088 -169.946 162.931 -122.172 -85.0266 -345.745 -30.9227 -567.675 PRESSAVG: 1049400 -11.0254 9.93743 -32.3281 9.9374 -11.338 -10.6262 -32.328 -10.6261 12.2832 GPRESSAVG: 1049400 -12.0355 9.07495 -32.0748 11.3702 -10.8643 -6.94391 -31.9553 -13.4983 12.7557 TIMING: 1049400 CPU: 3304.87, 0.00317508/step Wall: 3304.87, 0.00317508/step, 3.4843 hours remaining, 237.839844 MB of memory in use. ENERGY: 1049400 4013.4452 20649.8436 14444.7141 260.9540 -203416.0475 2682.9189 0.0000 0.0000 51862.2687 -109501.9028 298.0532 -161364.1715 -109143.7567 299.4831 -238.3247 -215.4731 762292.7953 -3.3601 -3.3814 PRESSURE: 1049600 -196.755 -53.5932 -21.2321 -53.5935 127.7 96.8857 -21.2319 96.886 -97.5727 GPRESSURE: 1049600 -127.681 1.48765 -10.4321 2.31816 78.6501 168.227 -0.474317 118.663 -40.9272 PRESSAVG: 1049600 2.45941 19.2607 -3.13354 19.2606 47.8008 15.607 -3.13361 15.6069 -3.80059 GPRESSAVG: 1049600 3.32875 19.7676 -2.27804 18.9106 46.9342 13.2358 -4.61255 17.5138 -3.45619 TIMING: 1049600 CPU: 3305.51, 0.00317964/step Wall: 3305.51, 0.00317964/step, 3.48912 hours remaining, 237.839844 MB of memory in use. ENERGY: 1049600 4007.3553 20707.5315 14518.8541 239.6732 -203697.0776 2662.6681 0.0000 0.0000 52101.7228 -109459.2725 299.4293 -161560.9953 -109090.6686 299.3589 -55.5425 -29.9862 760283.2495 15.4866 15.6023 PRESSURE: 1049800 425.488 48.2816 -21.4307 48.2815 -151.701 381.125 -21.43 381.124 227.914 GPRESSURE: 1049800 396.089 99.3317 -48.7864 32.7367 -60.6924 270.24 38.6651 104.77 251.029 PRESSAVG: 1049800 2.46827 34.387 -13.7514 34.387 -42.355 24.0539 -13.7514 24.0539 21.2018 GPRESSAVG: 1049800 2.24602 32.9467 -14.8777 33.7978 -43.1351 23.5823 -12.4863 24.2384 22.1557 TIMING: 1049800 CPU: 3306.14, 0.0031648/step Wall: 3306.14, 0.0031648/step, 3.47267 hours remaining, 237.839844 MB of memory in use. ENERGY: 1049800 3998.3767 20753.9484 14424.9101 259.8235 -203878.7941 2768.5557 0.0000 0.0000 52135.9029 -109537.2768 299.6258 -161673.1798 -109177.0365 299.3370 167.2337 195.4750 760197.2189 -6.2283 -6.2445 PRESSURE: 1050000 94.8682 114.344 75.1253 114.345 -465.278 96.7123 75.1251 96.7118 38.364 GPRESSURE: 1050000 78.2434 60.6499 50.4263 152.095 -399.627 -66.7504 30.0908 231.454 98.1675 PRESSAVG: 1050000 5.3758 -15.4703 -64.6531 -15.4702 -9.84166 21.7823 -64.6531 21.7823 -5.26008 GPRESSAVG: 1050000 5.68034 -15.7637 -65.3 -15.0726 -7.97076 20.854 -64.9003 22.9054 -7.19737 TIMING: 1050000 CPU: 3306.77, 0.00314967/step Wall: 3306.77, 0.00314967/step, 3.45589 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1050000 3996.7779 20636.4960 14428.9715 259.2474 -203557.5072 2651.3443 0.0000 0.0000 52008.8180 -109575.8521 298.8954 -161584.6701 -109224.3743 299.2627 -110.6820 -74.4053 761029.9147 -3.2420 -3.1626 PRESSURE: 1050200 -35.7994 -20.4893 19.1482 -20.4899 17.5424 114.615 19.1484 114.615 -503.806 GPRESSURE: 1050200 -18.4384 96.2875 31.8468 49.5353 56.8995 107.61 -82.7099 136.203 -470.591 PRESSAVG: 1050200 -21.8274 4.65 5.87963 4.65006 -19.2797 -32.8324 5.87959 -32.8325 39.0397 GPRESSAVG: 1050200 -21.4089 6.63722 7.57686 5.46622 -20.0481 -31.175 6.04474 -35.272 38.9783 TIMING: 1050200 CPU: 3307.41, 0.00317106/step Wall: 3307.41, 0.00317106/step, 3.47918 hours remaining, 237.839844 MB of memory in use. ENERGY: 1050200 4145.8358 20423.5363 14393.0599 243.0016 -203632.3212 2826.7973 0.0000 0.0000 52373.1442 -109226.9462 300.9892 -161600.0903 -108864.6217 299.9552 -174.0210 -144.0433 761942.0026 -0.6891 -0.8263 PRESSURE: 1050400 -55.3334 148.698 -21.4424 148.698 309.928 80.0194 -21.4425 80.0196 110.19 GPRESSURE: 1050400 6.05589 86.0053 16.6762 148.239 308.436 43.9494 16.3693 23.2371 137.24 PRESSAVG: 1050400 -7.92479 -2.71355 -6.61044 -2.71362 19.8675 16.7861 -6.6104 16.7862 -5.9221 GPRESSAVG: 1050400 -8.93507 -4.54526 -7.83802 -3.24882 18.928 15.2185 -6.29114 18.08 -4.19192 TIMING: 1050400 CPU: 3308.04, 0.00315493/step Wall: 3308.04, 0.00315493/step, 3.46131 hours remaining, 237.839844 MB of memory in use. ENERGY: 1050400 3991.7034 20675.1812 14487.8992 240.1091 -204086.6835 2972.8874 0.0000 0.0000 52188.4270 -109530.4763 299.9276 -161718.9033 -109160.8472 299.5395 121.5948 150.5773 760627.6204 2.0069 1.9337 PRESSURE: 1050600 180.263 53.506 69.1622 53.5056 -127.248 -121.124 69.1631 -121.125 -199.6 GPRESSURE: 1050600 91.7106 18.1753 75.7601 7.52082 -59.943 -77.9433 30.5797 -90.2866 -106.516 PRESSAVG: 1050600 54.5941 23.6619 -48.6445 23.6618 -39.6105 17.6053 -48.6446 17.6053 -3.62156 GPRESSAVG: 1050600 54.0598 25.138 -47.8278 25.1754 -39.2467 17.7941 -50.3326 18.3845 -3.79979 TIMING: 1050600 CPU: 3308.67, 0.00315967/step Wall: 3308.67, 0.00315967/step, 3.46634 hours remaining, 237.839844 MB of memory in use. ENERGY: 1050600 3981.5278 20610.5484 14423.7102 242.7755 -203468.3965 2549.3916 0.0000 0.0000 51996.1812 -109664.2618 298.8228 -161660.4430 -109304.5855 299.1518 -48.8616 -24.9161 761691.7008 3.7873 3.6711 PRESSURE: 1050800 35.7921 -162.012 213.264 -162.012 240.859 306.122 213.264 306.123 101.594 GPRESSURE: 1050800 137.058 -71.0464 150.322 -123.411 204.379 333.461 168.684 284.793 141.205 PRESSAVG: 1050800 -8.36594 -10.582 -24.1384 -10.582 54.2846 -4.43562 -24.1384 -4.43571 11.5405 GPRESSAVG: 1050800 -6.74689 -11.1105 -24.4633 -9.34802 53.2524 -2.90492 -23.9459 -6.87365 10.9407 TIMING: 1050800 CPU: 3309.3, 0.0031684/step Wall: 3309.3, 0.00316841/step, 3.47574 hours remaining, 237.839844 MB of memory in use. ENERGY: 1050800 4040.9575 20582.4193 14450.7366 260.1945 -204086.6787 2877.6785 0.0000 0.0000 51828.4189 -110046.2734 297.8586 -161874.6924 -109679.1890 298.5569 126.0816 160.8808 760540.1394 19.1530 19.1487 PRESSURE: 1051000 105.059 -15.5061 36.3806 -15.506 132.086 130.48 36.3799 130.481 83.8151 GPRESSURE: 1051000 147.249 9.3643 79.4525 -51.3254 161.196 142.489 76.6428 110.235 85.1523 PRESSAVG: 1051000 -63.7593 -7.47129 38.8902 -7.47127 28.2902 64.8381 38.8902 64.8381 -34.4182 GPRESSAVG: 1051000 -65.9143 -8.76694 39.0238 -10.4641 29.9018 63.6245 39.8417 65.2062 -34.4114 TIMING: 1051000 CPU: 3309.94, 0.00316884/step Wall: 3309.94, 0.00316884/step, 3.47604 hours remaining, 237.839844 MB of memory in use. ENERGY: 1051000 3935.6612 20483.7257 14363.4337 238.3558 -203697.8787 2646.4422 0.0000 0.0000 51708.8118 -110321.4483 297.1713 -162030.2601 -109962.3413 297.6698 106.9868 131.1991 760833.0335 -23.2958 -23.4746 PRESSURE: 1051200 130.468 -178.969 -315.495 -178.969 90.5185 38.2676 -315.494 38.267 110.07 GPRESSURE: 1051200 160.023 -293.435 -337.688 -265.148 132.606 20.0721 -323.687 66.1609 106.159 PRESSAVG: 1051200 17.9608 -46.548 30.6214 -46.548 -20.6717 7.1467 30.6214 7.14666 1.69979 GPRESSAVG: 1051200 19.6593 -45.924 30.0445 -45.2032 -22.1396 7.43902 31.0664 7.37253 2.38894 TIMING: 1051200 CPU: 3310.57, 0.00318167/step Wall: 3310.57, 0.00318167/step, 3.48993 hours remaining, 237.839844 MB of memory in use. ENERGY: 1051200 3946.5398 20617.0232 14359.5896 238.5231 -204284.3522 3118.0253 0.0000 0.0000 51922.0178 -110082.6333 298.3965 -162004.6511 -109729.8211 297.5459 110.3522 132.9294 759818.5896 -0.3371 -0.0304 PRESSURE: 1051400 210.509 -43.994 83.2662 -43.9929 -49.9342 120.425 83.2667 120.425 191.695 GPRESSURE: 1051400 235.504 -83.3043 153.123 -14.0688 94.2542 112.865 93.3877 -88.9352 112.266 PRESSAVG: 1051400 39.4538 -53.1325 -39.3652 -53.1325 -28.2193 -21.8793 -39.3652 -21.8793 -12.4716 GPRESSAVG: 1051400 37.8135 -51.9304 -38.0732 -51.792 -27.6115 -23.0007 -39.5893 -22.2924 -12.3202 TIMING: 1051400 CPU: 3311.21, 0.00316629/step Wall: 3311.21, 0.00316629/step, 3.47289 hours remaining, 237.839844 MB of memory in use. ENERGY: 1051400 3851.1466 20453.0271 14463.1326 229.9936 -203765.6713 2700.2437 0.0000 0.0000 51725.7064 -110342.4214 297.2683 -162068.1277 -109979.6406 297.3407 117.4233 147.3414 760840.8337 -0.4124 -0.7060 PRESSURE: 1051600 -107.79 50.4226 -86.2028 50.4228 226.434 220.667 -86.2025 220.667 182.099 GPRESSURE: 1051600 -74.1511 -37.1903 -80.0939 48.0241 294.493 152.515 -70.0604 165.15 172.223 PRESSAVG: 1051600 -0.335414 -62.9079 -69.5395 -62.9079 -13.1731 -53.3826 -69.5395 -53.3827 -11.6774 GPRESSAVG: 1051600 0.0988729 -62.9283 -70.8978 -64.2554 -13.3051 -53.0025 -68.9209 -54.4955 -11.9959 TIMING: 1051600 CPU: 3311.84, 0.00316467/step Wall: 3311.84, 0.00316467/step, 3.47094 hours remaining, 237.839844 MB of memory in use. ENERGY: 1051600 3918.3488 20510.5777 14385.2521 238.9079 -203491.1164 2505.5016 0.0000 0.0000 51638.6159 -110293.9124 296.7678 -161932.5283 -109934.4341 296.9898 100.2479 130.8552 762367.9009 -8.3953 -8.4007 PRESSURE: 1051800 103.399 197.005 25.3397 197.005 88.5516 -186.771 25.3401 -186.772 -96.1197 GPRESSURE: 1051800 125.901 203.486 103.274 155.234 24.8713 -203.54 79.7763 -18.9445 20.1799 PRESSAVG: 1051800 47.5377 -35.2613 -31.0464 -35.2613 -20.2063 4.34731 -31.0464 4.34735 9.23119 GPRESSAVG: 1051800 47.5237 -35.5687 -30.9699 -35.5112 -19.988 5.43803 -32.8379 7.24836 8.93033 TIMING: 1051800 CPU: 3312.47, 0.00316181/step Wall: 3312.47, 0.00316181/step, 3.46763 hours remaining, 237.839844 MB of memory in use. ENERGY: 1051800 3991.0729 20447.6476 14458.8503 242.1691 -203850.8717 2625.1503 0.0000 0.0000 51824.7867 -110261.1948 297.8378 -162085.9815 -109913.9799 297.7236 31.9436 56.9842 760509.1536 12.1875 12.1553 PRESSURE: 1052000 229.697 -121.072 66.6535 -121.072 112.41 90.4758 66.6539 90.4767 96.1207 GPRESSURE: 1052000 295.623 -145.531 119.47 -58.9841 110.259 143.954 76.4543 20.5036 110.997 PRESSAVG: 1052000 -15.6528 -1.5754 48.7454 -1.57543 27.9271 -10.5076 48.7454 -10.5077 -1.69014 GPRESSAVG: 1052000 -16.1492 -1.37924 48.7183 0.490706 27.9444 -10.5507 49.4985 -11.2712 -1.86788 TIMING: 1052000 CPU: 3313.1, 0.0031508/step Wall: 3313.1, 0.0031508/step, 3.45537 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1052000 3914.6656 20234.6579 14485.3230 219.2274 -204162.5202 3001.0479 0.0000 0.0000 51918.4782 -110389.1205 298.3762 -162307.5986 -110023.2759 296.8444 146.0758 172.2932 760344.8544 3.5280 3.3091 PRESSURE: 1052200 -98.0261 206.101 104.378 206.101 -169.372 69.113 104.379 69.1121 -395.281 GPRESSURE: 1052200 -87.0057 225.956 174.84 236.434 -91.3562 56.9705 81.3894 -39.2069 -402.718 PRESSAVG: 1052200 -36.3171 -23.5111 24.8728 -23.5111 -7.96033 16.9532 24.8727 16.9532 13.4877 GPRESSAVG: 1052200 -37.206 -23.256 24.5532 -24.9569 -8.4047 17.3548 25.8681 15.4694 14.4505 TIMING: 1052200 CPU: 3313.73, 0.00316041/step Wall: 3313.73, 0.0031604/step, 3.46573 hours remaining, 237.839844 MB of memory in use. ENERGY: 1052200 3904.9259 20464.8902 14461.8434 235.5449 -203460.7410 2382.7717 0.0000 0.0000 51767.1518 -110243.6131 297.5065 -162010.7649 -109871.7375 297.7349 -220.8930 -193.6934 763006.3813 -10.2632 -10.3867 LDB: ============= START OF LOAD BALANCING ============== 3326.13 LDB: ============== END OF LOAD BALANCING =============== 3326.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3326.13 LDB: ============= START OF LOAD BALANCING ============== 3326.45 LDB: Largest compute 7077 load 0.035454 is 18.1% of average load 0.195951 LDB: Average compute 0.004381 is 2.2% of average load 0.195951 LDB: TIME 3326.45 LOAD: AVG 0.195951 MAX 0.215705 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.469 MB LDB: TIME 3326.45 LOAD: AVG 0.195951 MAX 0.215705 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: TIME 3326.45 LOAD: AVG 0.195951 MAX 0.215705 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: ============== END OF LOAD BALANCING =============== 3326.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3326.46 PRESSURE: 1052400 -277.92 -45.6922 380.185 -45.6909 -323.416 157.69 380.184 157.689 -246.651 GPRESSURE: 1052400 -176.321 78.8629 361.63 -80.5337 -276.788 189.498 260.387 132.105 -305.874 PRESSAVG: 1052400 4.1465 26.8525 12.5802 26.8525 -13.5445 -3.97874 12.5803 -3.97869 -17.6017 GPRESSAVG: 1052400 6.30356 24.8894 12.5912 27.5101 -14.4557 -5.05943 12.3075 -3.89173 -18.577 TIMING: 1052400 CPU: 3314.38, 0.00322594/step Wall: 3314.38, 0.00322594/step, 3.53742 hours remaining, 235.957031 MB of memory in use. ENERGY: 1052400 4037.3243 20224.8518 14417.9379 247.8055 -203627.9455 2479.4929 0.0000 0.0000 52045.6406 -110174.8926 299.1070 -162220.5332 -109804.5461 297.1670 -282.6625 -252.9942 762002.2858 -8.9999 -8.9097 PRESSURE: 1052600 160.16 -167.369 -26.0587 -167.368 126.982 -170.832 -26.0595 -170.833 -159.727 GPRESSURE: 1052600 288.384 -27.1574 2.14114 -187.233 164.408 -190.559 -108.691 -101.402 -249.598 PRESSAVG: 1052600 30.9859 -38.6927 -26.9616 -38.6927 -55.2639 -28.7297 -26.9615 -28.7298 -1.39271 GPRESSAVG: 1052600 30.2452 -38.966 -27.1476 -38.0187 -53.9286 -28.8096 -27.2451 -28.7564 -1.3164 TIMING: 1052600 CPU: 3315.01, 0.00316648/step Wall: 3315.01, 0.00316648/step, 3.47204 hours remaining, 236.199219 MB of memory in use. ENERGY: 1052600 3935.1540 20393.8572 14405.9325 221.3789 -203666.8828 2869.7235 0.0000 0.0000 51753.0239 -110087.8128 297.4253 -161840.8367 -109738.1123 297.8746 42.4715 67.7313 762568.7407 -8.5569 -8.3333 PRESSURE: 1052800 12.9607 118.908 -6.11377 118.908 -82.9662 -359.295 -6.11344 -359.295 -73.6772 GPRESSURE: 1052800 110.086 175.198 38.0995 153.853 -85.4706 -337.162 24.3115 -294.06 -93.2967 PRESSAVG: 1052800 36.4178 -28.3433 28.5238 -28.3431 -22.1813 -59.7813 28.5238 -59.7812 -7.48092 GPRESSAVG: 1052800 36.0437 -25.5234 29.1769 -29.0653 -21.8533 -60.8785 28.8681 -58.4062 -7.48848 TIMING: 1052800 CPU: 3315.65, 0.00316706/step Wall: 3315.65, 0.00316706/step, 3.4725 hours remaining, 236.199219 MB of memory in use. ENERGY: 1052800 3978.0381 20349.2312 14503.4101 256.8060 -203549.9255 2675.8332 0.0000 0.0000 51899.0463 -109887.5606 298.2645 -161786.6069 -109522.8757 297.7183 -47.8942 -22.8936 761428.5805 2.2519 2.2340 PRESSURE: 1053000 -118.119 63.4945 185.905 63.4951 32.2277 -91.9381 185.904 -91.9377 39.0645 GPRESSURE: 1053000 11.8462 131.911 145.572 -21.1212 -79.7487 -134.133 151.151 -80.8917 97.4943 PRESSAVG: 1053000 56.6256 36.4159 -13.5865 36.416 -87.6527 -48.5783 -13.5865 -48.5783 -6.13625 GPRESSAVG: 1053000 57.4422 37.5335 -13.1909 34.2944 -87.6282 -47.5997 -14.4766 -47.9269 -6.68432 TIMING: 1053000 CPU: 3316.28, 0.00317549/step Wall: 3316.28, 0.00317549/step, 3.48157 hours remaining, 236.199219 MB of memory in use. ENERGY: 1053000 4042.4847 20470.1404 14378.4234 247.0031 -203578.3767 2492.6782 0.0000 0.0000 52121.6425 -109826.0044 299.5438 -161947.6469 -109471.7950 298.2225 -15.6090 9.8639 760269.7692 -12.3878 -12.2901 PRESSURE: 1053200 -239.595 -159.008 -68.2608 -159.008 -189.039 230.978 -68.2611 230.977 -600.618 GPRESSURE: 1053200 -269.716 -102.984 -45.8471 -40.853 -36.1574 254.647 23.5225 194.734 -631.039 PRESSAVG: 1053200 -9.46612 -54.4337 47.0519 -54.4337 2.67832 -84.1497 47.0519 -84.1497 -18.9734 GPRESSAVG: 1053200 -10.3588 -55.4639 46.7328 -53.9896 3.00158 -83.4892 47.7963 -86.9725 -18.2284 TIMING: 1053200 CPU: 3316.91, 0.00316091/step Wall: 3316.91, 0.00316091/step, 3.46541 hours remaining, 236.199219 MB of memory in use. ENERGY: 1053200 4042.2368 20541.4221 14496.8264 260.0992 -203400.2878 2390.7862 0.0000 0.0000 51919.0448 -109749.8724 298.3795 -161668.9172 -109391.0390 298.5208 -343.0840 -312.3041 761986.3787 -8.5871 -8.5285 PRESSURE: 1053400 141.481 -58.9657 -47.8803 -58.9659 -393.308 -201.105 -47.8799 -201.105 -3.24536 GPRESSURE: 1053400 157.779 -15.1393 -33.9944 38.1569 -286.336 -188.998 -21.1754 -258.282 -62.0553 PRESSAVG: 1053400 41.6683 -54.0574 18.8824 -54.0574 28.1536 -31.2649 18.8823 -31.2648 5.28408 GPRESSAVG: 1053400 42.3772 -53.6786 18.2974 -51.7813 27.9194 -32.2009 18.5946 -30.0937 4.72434 TIMING: 1053400 CPU: 3317.55, 0.00316378/step Wall: 3317.55, 0.00316378/step, 3.46838 hours remaining, 236.199219 MB of memory in use. ENERGY: 1053400 3985.5171 20518.6748 14481.8855 253.5141 -203157.3807 2430.0835 0.0000 0.0000 51791.6227 -109696.0830 297.6472 -161487.7057 -109328.5594 298.6015 -85.0242 -63.5374 762356.8965 25.0353 25.0070 PRESSURE: 1053600 -112.884 77.3518 266.168 77.3514 -68.5527 -49.0581 266.168 -49.0564 -28.2776 GPRESSURE: 1053600 -44.928 -53.8563 201.037 40.4864 -94.6816 -13.1524 260.928 50.8747 -2.18945 PRESSAVG: 1053600 77.4962 14.5707 -0.608898 14.5708 -29.5039 -2.60081 -0.608846 -2.60076 -5.49452 GPRESSAVG: 1053600 77.706 16.1047 -0.210639 13.4821 -30.9485 -0.775023 -1.78577 -3.2294 -4.60704 TIMING: 1053600 CPU: 3318.18, 0.00315972/step Wall: 3318.18, 0.00315972/step, 3.46376 hours remaining, 236.199219 MB of memory in use. ENERGY: 1053600 3931.5795 20496.4998 14424.2015 234.2521 -203307.5888 2402.2207 0.0000 0.0000 52139.3166 -109679.5186 299.6454 -161818.8351 -109313.4726 298.9633 -69.9047 -47.2663 762105.2973 14.1659 14.0502 PRESSURE: 1053800 10.1626 93.402 138.987 93.4025 -11.402 -180.519 138.987 -180.519 -158.342 GPRESSURE: 1053800 -53.6572 64.231 122.999 68.6469 104.471 -86.2227 200.914 -172.867 -147.953 PRESSAVG: 1053800 39.6031 -34.2313 -27.3973 -34.2314 -27.4478 -38.0467 -27.3973 -38.0466 -13.1097 GPRESSAVG: 1053800 39.7541 -38.8589 -27.5233 -33.0887 -26.4056 -40.8486 -24.1846 -35.5267 -14.5556 TIMING: 1053800 CPU: 3318.81, 0.00315466/step Wall: 3318.81, 0.00315466/step, 3.45804 hours remaining, 236.199219 MB of memory in use. ENERGY: 1053800 3983.9945 20573.1763 14427.9491 257.3294 -203623.4352 2917.9131 0.0000 0.0000 51762.3795 -109700.6934 297.4791 -161463.0729 -109342.5140 298.5145 -53.1937 -32.3798 761754.4787 -0.3181 -0.4024 PRESSURE: 1054000 153.22 55.4967 123.835 55.4974 78.9723 6.21879 123.835 6.21809 -226.356 GPRESSURE: 1054000 262.458 -35.63 164.924 -10.1379 -6.00187 31.2086 14.8878 4.21176 -156.53 PRESSAVG: 1054000 -12.172 11.1563 29.6409 11.1563 15.6362 -48.937 29.6409 -48.9371 13.5856 GPRESSAVG: 1054000 -11.5274 11.7498 31.2471 7.77692 14.8702 -47.5123 27.8051 -48.8991 13.5938 TIMING: 1054000 CPU: 3319.44, 0.00316997/step Wall: 3319.44, 0.00316997/step, 3.47464 hours remaining, 236.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1054000 4075.2595 20604.0003 14387.3548 247.8955 -203761.0892 3048.4070 0.0000 0.0000 51820.3822 -109577.7899 297.8124 -161398.1721 -109227.8899 299.1997 1.9454 33.3087 761704.3816 5.6833 5.6455 PRESSURE: 1054200 92.106 301.587 -89.7945 301.587 -28.7703 72.6992 -89.7947 72.6991 -654.723 GPRESSURE: 1054200 96.8105 204.406 -64.5277 313.506 14.3115 0.104981 -99.3749 -15.2428 -616.451 PRESSAVG: 1054200 2.97867 1.44405 6.30021 1.44409 -9.56917 53.9794 6.30021 53.9794 25.5411 GPRESSAVG: 1054200 1.61099 2.38522 3.07065 4.55442 -10.2857 53.3882 6.19513 52.3383 27.5842 TIMING: 1054200 CPU: 3320.08, 0.0031683/step Wall: 3320.08, 0.0031683/step, 3.47263 hours remaining, 236.199219 MB of memory in use. ENERGY: 1054200 4019.7900 20597.8722 14461.5761 259.9129 -203482.3615 2644.6809 0.0000 0.0000 51962.6430 -109535.8864 298.6300 -161498.5294 -109178.0638 298.9786 -197.1290 -168.4430 763127.2749 6.3169 6.3032 PRESSURE: 1054400 32.7311 -78.8309 25.6242 -78.8312 12.3799 -265.881 25.6242 -265.879 -376.641 GPRESSURE: 1054400 112.125 -111.033 -7.33339 -100.188 62.9526 -264.288 156.144 -212.872 -414.445 PRESSAVG: 1054400 53.2739 -17.7412 38.0516 -17.7412 -40.4473 -3.51843 38.0516 -3.5184 -0.441548 GPRESSAVG: 1054400 53.3412 -17.3507 40.3291 -18.9492 -39.5938 -2.5326 38.5691 -3.84602 -1.43967 TIMING: 1054400 CPU: 3320.71, 0.00316393/step Wall: 3320.71, 0.00316393/step, 3.46766 hours remaining, 236.199219 MB of memory in use. ENERGY: 1054400 4017.3264 20467.8512 14493.2393 245.2353 -203467.4735 2798.0300 0.0000 0.0000 51912.8566 -109532.9347 298.3439 -161445.7913 -109175.1233 299.2497 -110.5098 -79.7892 763453.6497 4.1284 4.1026 PRESSURE: 1054600 140.552 48.4408 -69.2296 48.4419 26.6749 -166.127 -69.2294 -166.127 -243.614 GPRESSURE: 1054600 176.404 62.4582 -47.7397 43.5591 57.263 -71.1212 -11.2116 -102.256 -257.324 PRESSAVG: 1054600 20.1612 -26.6236 4.24938 -26.6236 -18.8277 2.41324 4.24939 2.41318 7.13403 GPRESSAVG: 1054600 19.9155 -27.169 2.32672 -28.6851 -18.2105 1.14479 6.81217 3.77575 7.16338 TIMING: 1054600 CPU: 3321.34, 0.00315999/step Wall: 3321.34, 0.00315999/step, 3.46317 hours remaining, 236.199219 MB of memory in use. ENERGY: 1054600 3999.7571 20486.2082 14517.8992 267.9781 -203666.8787 2773.7885 0.0000 0.0000 52083.1078 -109538.1397 299.3223 -161621.2475 -109177.8002 299.0409 -25.4623 -7.8859 761201.6801 2.8225 2.9561 PRESSURE: 1054800 -52.0696 74.2523 116.037 74.2526 -52.6325 -157.353 116.037 -157.354 15.5594 GPRESSURE: 1054800 -37.7721 69.3955 143.903 190.261 -50.4221 -89.8583 93.996 -243.913 66.8455 PRESSAVG: 1054800 -12.3319 -26.9821 -7.25138 -26.9821 -5.23388 -29.2809 -7.25141 -29.2809 -29.2066 GPRESSAVG: 1054800 -11.6816 -26.2452 -7.08228 -22.9948 -5.87752 -29.6967 -7.19483 -30.0463 -29.4809 TIMING: 1054800 CPU: 3321.97, 0.0031694/step Wall: 3321.97, 0.0031694/step, 3.47331 hours remaining, 236.199219 MB of memory in use. ENERGY: 1054800 4024.4132 20485.9461 14487.7588 259.8780 -203602.3229 2868.4125 0.0000 0.0000 51769.0241 -109706.8902 297.5173 -161475.9142 -109354.9379 298.9389 -29.7143 -7.1162 763074.6483 -15.5908 -15.6800 PRESSURE: 1055000 85.9993 49.7321 37.9396 49.7321 -17.1682 32.8782 37.9397 32.8783 -308.854 GPRESSURE: 1055000 105.972 103.557 94.5037 43.2065 24.6757 74.9432 -9.71458 36.4032 -284.68 PRESSAVG: 1055000 26.9787 -7.60284 -28.5729 -7.6028 -30.4892 -10.3132 -28.5728 -10.3131 -35.477 GPRESSAVG: 1055000 25.977 -7.66766 -27.71 -10.9641 -30.363 -11.1678 -31.7634 -10.004 -34.7848 TIMING: 1055000 CPU: 3322.61, 0.00316991/step Wall: 3322.61, 0.00316991/step, 3.47369 hours remaining, 236.199219 MB of memory in use. ENERGY: 1055000 4029.3614 20446.1049 14432.4022 227.9142 -203704.9147 2750.7555 0.0000 0.0000 51995.5119 -109822.8647 298.8189 -161818.3766 -109460.0098 298.4431 -80.0076 -51.3440 761385.5191 -12.9958 -13.0569 PRESSURE: 1055200 142.119 108.515 -88.891 108.516 464.942 183.218 -88.8912 183.218 354.971 GPRESSURE: 1055200 210.422 149.178 3.31323 6.1236 462.281 160.601 -45.0878 97.9364 367.821 PRESSAVG: 1055200 16.5209 -19.081 -40.7464 -19.081 -65.3302 27.7152 -40.7464 27.7151 -7.65243 GPRESSAVG: 1055200 16.2568 -17.4868 -40.351 -17.8773 -65.4198 28.3622 -39.5193 26.4555 -8.48724 TIMING: 1055200 CPU: 3323.24, 0.00317483/step Wall: 3323.24, 0.00317483/step, 3.4789 hours remaining, 236.199219 MB of memory in use. ENERGY: 1055200 3947.7198 20341.0344 14493.8629 242.8406 -203872.6488 2941.6474 0.0000 0.0000 52182.2946 -109723.2491 299.8924 -161905.5437 -109362.8961 298.1557 320.6776 346.8413 760343.5744 -18.8206 -19.2168 PRESSURE: 1055400 -162.52 10.4171 283.192 10.4166 39.6457 2.31061 283.192 2.31142 159.939 GPRESSURE: 1055400 -26.97 24.0743 189.078 -41.8994 16.4515 1.20939 212.76 -16.1207 132.967 PRESSAVG: 1055400 13.2416 -14.4992 -15.5661 -14.4992 -20.3931 -47.3427 -15.5661 -47.3426 -1.69945 GPRESSAVG: 1055400 15.2749 -15.6631 -15.8115 -16.9459 -20.7143 -46.0124 -14.4437 -44.756 -2.97701 TIMING: 1055400 CPU: 3323.88, 0.00316701/step Wall: 3323.88, 0.00316701/step, 3.47016 hours remaining, 236.199219 MB of memory in use. ENERGY: 1055400 4005.7266 20443.9041 14481.0047 235.8111 -203606.2256 2711.9880 0.0000 0.0000 51872.5896 -109855.2014 298.1125 -161727.7910 -109497.3741 298.0859 12.3547 40.8161 762452.0631 -2.9503 -2.8055 PRESSURE: 1055600 -73.8693 -212.618 -170.847 -212.617 -286.013 77.8617 -170.848 77.8611 -121.174 GPRESSURE: 1055600 -100.977 -258.717 -146.268 -254.351 -135.328 172.963 -290.621 38.5231 -159.668 PRESSAVG: 1055600 40.7175 3.65568 5.33461 3.65566 -64.608 10.3293 5.33462 10.3294 -8.05597 GPRESSAVG: 1055600 39.5742 3.25861 5.28127 5.1625 -64.7984 10.3356 2.13677 9.1119 -7.43424 TIMING: 1055600 CPU: 3324.51, 0.00315835/step Wall: 3324.51, 0.00315835/step, 3.4605 hours remaining, 236.199219 MB of memory in use. ENERGY: 1055600 3886.8158 20245.8589 14437.8791 247.4308 -203000.3398 2422.7595 0.0000 0.0000 51825.9445 -109933.6512 297.8444 -161759.5957 -109565.6024 298.0897 -160.3521 -131.9908 761950.5638 -10.6488 -10.8862 PRESSURE: 1055800 318.755 -67.0751 62.0508 -67.0746 -64.9075 93.4318 62.0518 93.4314 -38.4227 GPRESSURE: 1055800 323.358 -92.7311 101.873 -23.8651 -39.9181 157.936 78.7047 52.5577 9.20717 PRESSAVG: 1055800 64.8174 -18.6377 -10.6879 -18.6378 -30.4514 -12.4991 -10.688 -12.4992 6.66882 GPRESSAVG: 1055800 63.4246 -18.6289 -8.22813 -18.9197 -30.2275 -13.9158 -9.9337 -11.7506 7.65859 TIMING: 1055800 CPU: 3325.14, 0.00315208/step Wall: 3325.14, 0.00315208/step, 3.45345 hours remaining, 236.199219 MB of memory in use. ENERGY: 1055800 3962.1131 20349.5439 14542.9268 238.7111 -203594.5131 2851.6312 0.0000 0.0000 51970.0840 -109679.5030 298.6728 -161649.5870 -109315.8196 297.8796 71.8082 97.5489 761589.3670 13.6783 13.6186 PRESSURE: 1056000 46.3086 -147.805 30.2456 -147.805 -65.6323 162.473 30.2457 162.474 -59.278 GPRESSURE: 1056000 54.9386 -86.591 126.447 -97.9654 92.9345 124.572 -61.2316 160.055 -138.421 PRESSAVG: 1056000 10.9886 -52.2601 -27.0634 -52.2602 12.4013 35.3408 -27.0634 35.3408 -0.955044 GPRESSAVG: 1056000 12.2622 -51.2508 -28.8203 -52.3065 12.6222 35.1799 -25.4934 34.7883 -1.78679 TIMING: 1056000 CPU: 3325.77, 0.00317474/step Wall: 3325.77, 0.00317474/step, 3.4781 hours remaining, 236.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1056000 3924.0089 20478.6532 14448.3170 244.6512 -203304.2451 2620.2547 0.0000 0.0000 51958.6474 -109629.7127 298.6071 -161588.3601 -109266.6213 298.6821 -26.2006 3.1506 760705.3522 7.4783 7.6992 PRESSURE: 1056200 80.2445 -122.93 -136.889 -122.93 501.617 -25.924 -136.889 -25.9232 138.67 GPRESSURE: 1056200 240.376 -74.0856 -131.484 -202.938 435.006 -6.15545 -63.3399 34.5608 121.082 PRESSAVG: 1056200 55.5822 -3.37339 26.9309 -3.37345 -39.7542 -25.5558 26.9308 -25.5558 16.3886 GPRESSAVG: 1056200 55.3822 -3.70169 26.1487 -3.66723 -39.1724 -24.7794 24.987 -24.6397 15.7201 TIMING: 1056200 CPU: 3326.41, 0.00315496/step Wall: 3326.41, 0.00315496/step, 3.45625 hours remaining, 236.199219 MB of memory in use. ENERGY: 1056200 3927.2868 20312.0810 14425.5283 244.8050 -203332.6694 2828.1833 0.0000 0.0000 51821.3091 -109773.4759 297.8178 -161594.7850 -109416.7148 298.3700 240.1770 265.4883 760937.8347 10.7389 10.6433 LDB: ============= START OF LOAD BALANCING ============== 3338.8 LDB: ============== END OF LOAD BALANCING =============== 3338.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3338.81 LDB: ============= START OF LOAD BALANCING ============== 3339.12 LDB: Largest compute 7077 load 0.035869 is 18.3% of average load 0.195830 LDB: Average compute 0.004390 is 2.2% of average load 0.195830 LDB: TIME 3339.13 LOAD: AVG 0.19583 MAX 0.215155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 3339.13 LOAD: AVG 0.19583 MAX 0.215155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: TIME 3339.13 LOAD: AVG 0.19583 MAX 0.215155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3339.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3339.14 PRESSURE: 1056400 456.281 23.6784 21.5653 23.6779 207.491 33.9129 21.5649 33.9129 359.696 GPRESSURE: 1056400 500.515 119.933 -39.5961 -65.361 244.024 8.63834 35.5343 40.1376 384.322 PRESSAVG: 1056400 -14.6285 3.8578 11.7587 3.85771 11.5363 -5.18784 11.7587 -5.18781 29.006 GPRESSAVG: 1056400 -14.7417 4.42055 12.8179 5.08372 10.6677 -6.00309 11.3813 -4.28395 30.3333 TIMING: 1056400 CPU: 3327.05, 0.00323894/step Wall: 3327.05, 0.00323894/step, 3.54808 hours remaining, 236.593750 MB of memory in use. ENERGY: 1056400 3958.4215 20365.1715 14402.3302 251.4826 -203616.8371 3091.2424 0.0000 0.0000 52150.5342 -109397.6547 299.7098 -161548.1889 -109041.2232 298.6189 341.1561 376.2871 762878.7519 8.6379 8.7531 PRESSURE: 1056600 -250.801 -96.1686 -49.7069 -96.1688 -243.598 34.3606 -49.7073 34.3601 -441.358 GPRESSURE: 1056600 -178.581 18.6848 1.7281 -226.679 -246.572 12.3996 19.3681 53.6353 -425.229 PRESSAVG: 1056600 7.32103 -42.2688 15.4366 -42.2687 -24.493 41.4586 15.4366 41.4586 -6.56405 GPRESSAVG: 1056600 8.49651 -43.2706 13.5537 -44.0228 -23.5545 41.2044 15.8613 40.3751 -8.66413 TIMING: 1056600 CPU: 3327.69, 0.00316618/step Wall: 3327.69, 0.00316618/step, 3.4682 hours remaining, 236.835938 MB of memory in use. ENERGY: 1056600 3935.8562 20457.0308 14422.9333 259.8759 -203036.2610 2389.4023 0.0000 0.0000 52097.2158 -109473.9466 299.4034 -161571.1624 -109106.1581 299.4347 -311.9188 -283.4608 763133.8838 -7.9120 -7.9074 PRESSURE: 1056800 -158.531 51.3888 189.566 51.388 -160.849 208.644 189.565 208.644 211.26 GPRESSURE: 1056800 -255.702 175.115 113.564 47.4573 -19.1852 180.813 29.4305 284.752 242.754 PRESSAVG: 1056800 45.6639 -33.5743 -10.4446 -33.5742 -47.6486 33.9974 -10.4447 33.9974 9.94595 GPRESSAVG: 1056800 44.521 -34.0539 -10.0252 -31.6709 -47.431 34.7879 -9.82163 33.2232 10.8212 TIMING: 1056800 CPU: 3328.32, 0.00316065/step Wall: 3328.32, 0.00316065/step, 3.46196 hours remaining, 236.835938 MB of memory in use. ENERGY: 1056800 3983.8832 20522.4407 14376.8717 219.2504 -203313.5311 2599.1471 0.0000 0.0000 52306.6922 -109305.2458 300.6073 -161611.9381 -108951.3949 299.5144 -36.0399 -10.7110 761896.1368 2.6537 2.6371 PRESSURE: 1057000 -178.595 150.874 46.1516 150.874 -5.33107 32.9436 46.1512 32.9434 259.748 GPRESSURE: 1057000 -94.4453 86.4333 61.1351 110.725 32.7502 54.566 25.1189 90.0732 226.597 PRESSAVG: 1057000 55.4759 -37.7658 -18.6122 -37.7658 -32.462 30.1505 -18.6122 30.1505 -5.84116 GPRESSAVG: 1057000 55.1741 -38.6604 -17.1804 -38.2609 -33.5139 28.8327 -21.2239 32.2743 -4.39028 TIMING: 1057000 CPU: 3328.95, 0.00315253/step Wall: 3328.95, 0.00315253/step, 3.45289 hours remaining, 236.835938 MB of memory in use. ENERGY: 1057000 4037.2964 20600.6178 14491.8171 245.4061 -203516.0901 2918.0638 0.0000 0.0000 52016.3132 -109206.5757 298.9385 -161222.8889 -108851.8903 299.9660 25.2740 54.9674 761864.2933 5.7243 5.7566 PRESSURE: 1057200 -241.734 -32.2054 18.5809 -32.2051 -73.845 -50.2261 18.58 -50.2257 -427.271 GPRESSURE: 1057200 -177.024 22.6983 24.1556 -62.8873 44.8683 -60.5267 103.844 62.6336 -483.769 PRESSAVG: 1057200 25.0678 6.95919 -14.8902 6.95918 -10.5625 12.6695 -14.8903 12.6695 -14.1312 GPRESSAVG: 1057200 24.914 7.45983 -14.2392 4.62534 -8.29141 14.0122 -12.7663 12.7749 -15.1152 TIMING: 1057200 CPU: 3329.58, 0.00315249/step Wall: 3329.58, 0.00315249/step, 3.45267 hours remaining, 236.835938 MB of memory in use. ENERGY: 1057200 4007.7828 20443.5118 14494.0323 235.3249 -203214.2506 2526.7451 0.0000 0.0000 52193.9305 -109312.9232 299.9592 -161506.8537 -108944.6933 299.4622 -247.6165 -205.3082 761015.3471 0.1247 0.5025 PRESSURE: 1057400 -100.744 -146.716 50.0048 -146.716 -362.686 66.2273 50.0044 66.2278 419.42 GPRESSURE: 1057400 52.9313 -224.45 119.24 -131.605 -358.903 133.851 -23.2629 156.941 333.002 PRESSAVG: 1057400 29.3675 -24.0255 -25.7925 -24.0255 -18.1526 -50.9226 -25.7926 -50.9227 1.55803 GPRESSAVG: 1057400 30.7778 -24.9863 -26.889 -20.6243 -19.2555 -50.0437 -24.7807 -49.9612 1.68951 TIMING: 1057400 CPU: 3330.21, 0.00314985/step Wall: 3330.21, 0.00314986/step, 3.44962 hours remaining, 236.835938 MB of memory in use. ENERGY: 1057400 3988.1274 20476.3140 14477.2861 253.2670 -203619.4821 2838.8752 0.0000 0.0000 52271.7818 -109313.8305 300.4066 -161585.6123 -108947.1144 299.7777 -14.6700 9.0100 761462.3697 4.2576 4.4039 PRESSURE: 1057600 -148.44 58.9692 -83.5713 58.969 50.5276 -65.4598 -83.5716 -65.459 413.262 GPRESSURE: 1057600 -14.0175 128.475 -98.0111 169.094 67.4362 35.2539 -111.571 -85.8019 350.297 PRESSAVG: 1057600 100.985 23.7143 -46.5189 23.7142 -89.3545 11.0131 -46.519 11.0131 6.34699 GPRESSAVG: 1057600 100.857 25.3543 -47.9582 22.2276 -89.3814 11.2238 -46.6025 8.96966 6.68363 TIMING: 1057600 CPU: 3330.84, 0.00315739/step Wall: 3330.84, 0.00315739/step, 3.45769 hours remaining, 236.835938 MB of memory in use. ENERGY: 1057600 4071.9514 20545.8222 14490.5584 239.0608 -203154.0781 2750.3208 0.0000 0.0000 51920.4327 -109135.9318 298.3874 -161056.3645 -108760.1471 299.5389 105.1165 134.5719 760928.1001 5.9924 6.0530 PRESSURE: 1057800 -320.506 146.634 95.398 146.633 63.8613 -1.22588 95.398 -1.22452 -601.356 GPRESSURE: 1057800 -208.538 199.496 198.272 59.8335 -12.7598 0.50835 40.1756 -109.208 -566.565 PRESSAVG: 1057800 -10.4679 -26.0686 -30.8077 -26.0687 -4.65173 12.9456 -30.8076 12.9457 -13.5208 GPRESSAVG: 1057800 -11.212 -26.1373 -29.7531 -26.9875 -4.76468 11.5689 -32.3885 12.951 -12.7913 TIMING: 1057800 CPU: 3331.47, 0.00315605/step Wall: 3331.47, 0.00315605/step, 3.45605 hours remaining, 236.835938 MB of memory in use. ENERGY: 1057800 3969.5275 20516.4561 14544.0485 237.4596 -202948.0432 2346.7625 0.0000 0.0000 52061.0306 -109272.7583 299.1955 -161333.7889 -108913.4290 299.4134 -286.0002 -262.6209 763489.8509 -9.5468 -9.5893 PRESSURE: 1058000 120.731 -234.212 98.5231 -234.21 168.785 5.97057 98.5228 5.97113 88.0626 GPRESSURE: 1058000 90.7724 -228.792 113.947 -99.3909 203.411 1.71971 111.215 10.2454 167.756 PRESSAVG: 1058000 -6.92486 -16.5307 33.8922 -16.5308 42.6592 -25.9415 33.8922 -25.9415 1.7235 GPRESSAVG: 1058000 -6.69441 -19.0003 34.2634 -15.5616 42.9021 -23.9196 35.8396 -28.41 0.478095 TIMING: 1058000 CPU: 3332.1, 0.00315976/step Wall: 3332.1, 0.00315976/step, 3.45993 hours remaining, 236.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1058000 3943.7418 20581.1798 14497.9919 258.8343 -203416.1115 2738.8086 0.0000 0.0000 52304.8589 -109090.6963 300.5967 -161395.5552 -108733.4476 299.2381 125.8596 153.9797 762280.9224 12.4860 12.2286 PRESSURE: 1058200 -178.576 195.779 15.7796 195.778 -124.809 -10.3416 15.779 -10.3397 -409.173 GPRESSURE: 1058200 -129.736 147.505 -1.50435 164.865 -156.151 146.571 -38.451 -125.684 -338.571 PRESSAVG: 1058200 -3.26021 -7.51225 1.2507 -7.51225 1.06248 -64.8523 1.25065 -64.8523 2.94735 GPRESSAVG: 1058200 -3.79853 -5.99221 1.25793 -7.15189 0.720387 -64.6253 -2.43436 -62.2059 4.08633 TIMING: 1058200 CPU: 3332.74, 0.00316477/step Wall: 3332.74, 0.00316477/step, 3.46524 hours remaining, 236.835938 MB of memory in use. ENERGY: 1058200 4045.1978 20638.5930 14513.8285 228.9144 -202872.8793 2302.2895 0.0000 0.0000 52242.4891 -108901.5670 300.2383 -161144.0561 -108547.5578 299.5081 -237.5193 -208.1526 762086.5393 0.2499 0.3361 PRESSURE: 1058400 267.107 26.3289 133.053 26.3293 -148.726 -103.658 133.053 -103.657 343.257 GPRESSURE: 1058400 251.327 76.532 155.792 60.0366 31.7644 -110.685 122.376 62.0592 260.727 PRESSAVG: 1058400 34.9739 -44.0766 -5.41369 -44.0766 -19.0827 8.14395 -5.41367 8.14398 -1.75801 GPRESSAVG: 1058400 35.5968 -41.2249 -5.39277 -45.289 -18.6959 5.83731 -4.5659 5.97638 -2.99461 TIMING: 1058400 CPU: 3333.37, 0.00315912/step Wall: 3333.37, 0.00315912/step, 3.45889 hours remaining, 236.835938 MB of memory in use. ENERGY: 1058400 3956.1332 20452.1799 14471.2318 236.7077 -203326.0062 2767.0685 0.0000 0.0000 52376.3487 -109066.3363 301.0076 -161442.6850 -108700.8125 299.5879 153.8792 181.2730 761255.8082 4.7111 4.6354 PRESSURE: 1058600 -97.0018 138.344 96.4943 138.344 -144.437 8.62661 96.493 8.62709 -382.199 GPRESSURE: 1058600 -207.627 188.675 52.2464 122.834 -20.4407 -11.2648 20.5888 106.505 -308.762 PRESSAVG: 1058600 82.7002 0.197088 65.1928 0.197079 -48.7017 -11.5446 65.1927 -11.5447 2.19128 GPRESSAVG: 1058600 80.9876 -1.52388 64.2041 0.795036 -48.2186 -11.9163 66.9218 -8.88499 3.4815 TIMING: 1058600 CPU: 3334, 0.00315761/step Wall: 3334, 0.00315761/step, 3.45706 hours remaining, 236.835938 MB of memory in use. ENERGY: 1058600 4074.8978 20481.2486 14502.0072 232.1052 -203115.2110 2564.4182 0.0000 0.0000 52100.3635 -109160.1706 299.4215 -161260.5340 -108813.2168 299.9453 -207.8793 -178.9432 762462.0585 12.0633 12.0835 PRESSURE: 1058800 -218.864 74.0248 188.509 74.0255 -175.031 -152.645 188.509 -152.645 168.003 GPRESSURE: 1058800 -202.602 -45.6149 94.5355 99.4955 -146.558 -196.91 201.123 -129.101 214.015 PRESSAVG: 1058800 56.3212 15.6956 37.9525 15.6957 -59.6767 1.022 37.9525 1.02201 -15.5083 GPRESSAVG: 1058800 58.1055 16.524 38.4742 14.7433 -61.5505 2.65349 36.9885 0.269904 -15.8841 TIMING: 1058800 CPU: 3334.63, 0.00316274/step Wall: 3334.63, 0.00316274/step, 3.4625 hours remaining, 236.835938 MB of memory in use. ENERGY: 1058800 3993.8766 20529.9631 14413.1582 244.3744 -203103.7760 2413.4044 0.0000 0.0000 52298.2440 -109210.7554 300.5587 -161508.9994 -108844.4580 299.8004 -75.2974 -45.0485 763728.6548 -6.2879 -6.4430 PRESSURE: 1059000 -213.699 -46.3691 -62.4328 -46.3692 67.2801 -258.665 -62.4327 -258.666 395.722 GPRESSURE: 1059000 -66.4642 17.0895 -46.4343 57.9313 65.9263 -287.054 -107.338 -223.345 338.939 PRESSAVG: 1059000 30.1802 -1.78989 0.944693 -1.7899 -57.8895 -25.7271 0.944672 -25.7271 16.9084 GPRESSAVG: 1059000 30.807 -2.31111 0.139355 -0.728249 -58.6502 -26.0118 0.344265 -25.9749 17.0482 TIMING: 1059000 CPU: 3335.27, 0.00316094/step Wall: 3335.27, 0.00316094/step, 3.46036 hours remaining, 236.835938 MB of memory in use. ENERGY: 1059000 3995.6408 20554.1174 14444.6983 248.9795 -203177.9277 2687.2282 0.0000 0.0000 52031.5364 -109215.7272 299.0260 -161247.2635 -108852.0948 299.5749 83.1011 112.8005 761682.3707 -3.6003 -3.5983 PRESSURE: 1059200 -29.1429 31.8061 141.282 31.8059 -385.917 -82.7924 141.282 -82.7919 -50.8093 GPRESSURE: 1059200 28.8778 138.623 182.577 118.526 -346.272 -174.002 174.674 -54.3727 -64.806 PRESSAVG: 1059200 31.8993 28.2515 15.5378 28.2516 -72.497 -40.1028 15.5378 -40.1027 -13.9628 GPRESSAVG: 1059200 30.344 26.8332 17.2056 29.8975 -71.5561 -40.9501 15.2854 -40.3781 -13.3019 TIMING: 1059200 CPU: 3335.89, 0.00314354/step Wall: 3335.89, 0.00314354/step, 3.44112 hours remaining, 236.835938 MB of memory in use. ENERGY: 1059200 4056.6631 20595.0194 14473.8802 231.2355 -203291.5116 2572.4314 0.0000 0.0000 52203.4361 -109158.8458 300.0139 -161362.2819 -108798.9201 299.6319 -155.2897 -127.4000 762355.2910 -18.1868 -18.1713 PRESSURE: 1059400 -254.518 -39.3897 16.8496 -39.3905 -53.0599 -124.432 16.85 -124.431 14.0265 GPRESSURE: 1059400 -233.563 -46.2349 -10.9745 -33.9637 -52.4312 -88.7572 40.2178 -74.0412 61.1266 PRESSAVG: 1059400 -2.85223 7.63922 40.4986 7.63918 19.1023 -13.351 40.4986 -13.351 19.6584 GPRESSAVG: 1059400 -0.706748 8.58552 41.4693 4.68587 18.6554 -10.3788 42.0443 -13.2137 17.8955 TIMING: 1059400 CPU: 3336.52, 0.00315072/step Wall: 3336.52, 0.00315072/step, 3.44881 hours remaining, 236.835938 MB of memory in use. ENERGY: 1059400 4026.4990 20579.8770 14518.1998 239.0364 -203493.2730 2626.4155 0.0000 0.0000 52236.5342 -109266.7112 300.2041 -161503.2454 -108899.5050 299.8415 -97.8503 -74.9560 762402.1746 11.9695 11.9481 PRESSURE: 1059600 219.122 -43.2811 89.164 -43.2805 150.85 -61.7038 89.1635 -61.7032 202.163 GPRESSURE: 1059600 158.804 -19.8515 72.3105 -118.455 243.015 -156.66 90.7016 -102.799 254.375 PRESSAVG: 1059600 -8.43296 18.8923 23.3775 18.8923 26.2146 -5.38263 23.3776 -5.38268 -1.93057 GPRESSAVG: 1059600 -9.24241 19.5742 22.3486 18.6028 25.9302 -9.21457 21.7951 -5.25045 -1.24278 TIMING: 1059600 CPU: 3337.16, 0.00317026/step Wall: 3337.16, 0.00317026/step, 3.47003 hours remaining, 236.835938 MB of memory in use. ENERGY: 1059600 3921.0227 20507.7301 14440.6661 262.6529 -203063.7815 2634.2677 0.0000 0.0000 52008.9996 -109288.4424 298.8964 -161297.4420 -108923.7038 299.4646 190.7120 218.7313 761060.4212 5.2837 5.1483 PRESSURE: 1059800 -271.838 86.3343 -217.343 86.3339 37.6491 -77.7519 -217.343 -77.7514 51.7953 GPRESSURE: 1059800 -162.495 199.974 -97.1256 77.7365 -48.1598 -67.235 -95.8108 -75.4622 102.668 PRESSAVG: 1059800 -24.9089 33.0857 11.1435 33.0857 -0.770194 -18.573 11.1435 -18.5729 -29.1339 GPRESSAVG: 1059800 -24.3759 32.2481 11.0968 35.9532 0.11142 -16.97 13.466 -16.8196 -30.042 TIMING: 1059800 CPU: 3337.79, 0.00315232/step Wall: 3337.79, 0.00315232/step, 3.45021 hours remaining, 236.835938 MB of memory in use. ENERGY: 1059800 4084.0205 20486.5557 14461.1986 238.1107 -203178.4886 2502.6623 0.0000 0.0000 52219.8139 -109186.1269 300.1080 -161405.9408 -108815.5901 299.2171 -60.7978 -35.9958 763221.6419 -18.2710 -18.1022 PRESSURE: 1060000 -43.107 -80.4012 -134.352 -80.4009 62.8102 -70.4747 -134.351 -70.4751 160.041 GPRESSURE: 1060000 -93.4233 -74.8747 -100.191 -81.1505 89.6939 -145.928 -116.836 -36.7036 264.645 PRESSAVG: 1060000 8.55572 -15.034 -13.1059 -15.0339 22.4266 11.8583 -13.1059 11.8583 -1.18865 GPRESSAVG: 1060000 7.75446 -15.0138 -14.1112 -15.4438 21.8378 12.2486 -12.4606 11.005 0.0650018 TIMING: 1060000 CPU: 3338.42, 0.00317188/step Wall: 3338.42, 0.00317188/step, 3.47145 hours remaining, 236.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1060000 3918.2038 20618.1490 14577.9455 246.8411 -203237.6931 2645.9664 0.0000 0.0000 52060.3113 -109170.2760 299.1913 -161230.5872 -108811.4579 299.8301 59.9149 86.9720 761555.9628 9.9312 9.8858 PRESSURE: 1060200 170.024 22.5562 -43.2996 22.5563 161.215 -118.61 -43.2994 -118.61 -99.1055 GPRESSURE: 1060200 201.779 49.0771 -18.3598 121.177 216.495 -165.373 -51.7323 -96.9832 -83.645 PRESSAVG: 1060200 33.8084 -5.30636 -12.7486 -5.30645 3.1522 40.4034 -12.7486 40.4034 15.8245 GPRESSAVG: 1060200 33.2192 -4.96652 -11.5988 -4.74595 3.62737 40.4236 -15.4775 40.99 15.9455 TIMING: 1060200 CPU: 3339.06, 0.00316535/step Wall: 3339.06, 0.00316535/step, 3.46412 hours remaining, 236.835938 MB of memory in use. ENERGY: 1060200 3964.6431 20521.1044 14525.3873 256.5811 -203627.1006 2897.1953 0.0000 0.0000 52083.4389 -109378.7504 299.3242 -161462.1893 -109022.6744 299.4759 77.3781 111.5430 761384.9818 17.5950 17.5974 LDB: ============= START OF LOAD BALANCING ============== 3351.45 LDB: ============== END OF LOAD BALANCING =============== 3351.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3351.46 LDB: ============= START OF LOAD BALANCING ============== 3351.77 LDB: Largest compute 7077 load 0.035415 is 18.1% of average load 0.195951 LDB: Average compute 0.004399 is 2.2% of average load 0.195951 LDB: TIME 3351.77 LOAD: AVG 0.195951 MAX 0.217026 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.785 MB LDB: TIME 3351.77 LOAD: AVG 0.195951 MAX 0.217026 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.785 MB LDB: TIME 3351.77 LOAD: AVG 0.195951 MAX 0.217026 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.785 MB LDB: ============== END OF LOAD BALANCING =============== 3351.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3351.78 PRESSURE: 1060400 286.634 -246.328 26.3361 -246.327 -425.479 49.6076 26.3357 49.608 8.73278 GPRESSURE: 1060400 215.199 -238.588 -3.54778 -142.43 -344.174 -10.0757 105.922 -58.4929 105.623 PRESSAVG: 1060400 31.5158 -37.7073 11.2267 -37.7072 -42.5532 -14.9707 11.2267 -14.9707 -7.17831 GPRESSAVG: 1060400 31.3326 -37.7717 9.77829 -39.5365 -42.3835 -14.8811 14.4224 -16.6324 -6.95027 TIMING: 1060400 CPU: 3339.7, 0.00321684/step Wall: 3339.7, 0.00321684/step, 3.52029 hours remaining, 235.812500 MB of memory in use. ENERGY: 1060400 4021.9214 20571.5684 14467.0963 256.9252 -203343.3839 2617.6500 0.0000 0.0000 52076.9963 -109331.2263 299.2872 -161408.2226 -108966.6946 299.6118 -43.3708 -7.7840 762404.2088 -6.0719 -6.0004 PRESSURE: 1060600 70.3417 58.4492 -112.329 58.4493 11.7612 50.0936 -112.329 50.0941 -300.685 GPRESSURE: 1060600 20.5627 -18.0977 -139.844 150.768 54.9813 47.3157 -40.2703 24.8412 -224.143 PRESSAVG: 1060600 31.3908 -10.4365 -37.4705 -10.4365 -22.5847 -26.465 -37.4705 -26.465 13.2086 GPRESSAVG: 1060600 30.4168 -9.13333 -35.3473 -11.1186 -21.6807 -27.2777 -39.3404 -25.2694 13.7921 TIMING: 1060600 CPU: 3340.33, 0.00315778/step Wall: 3340.33, 0.00315778/step, 3.45549 hours remaining, 235.812500 MB of memory in use. ENERGY: 1060600 4015.6778 20706.7387 14428.3244 222.9907 -203249.0254 2540.1198 0.0000 0.0000 51985.0660 -109350.1080 298.7589 -161335.1741 -108988.0977 299.5686 -72.8608 -49.5330 763035.7788 7.3382 7.5094 PRESSURE: 1060800 -249.626 44.5499 69.4635 44.5502 -3.12261 -91.0215 69.4631 -91.0221 -80.265 GPRESSURE: 1060800 -209.625 96.3744 143.473 -57.7943 -31.2078 -102.691 142.356 -46.4053 1.85669 PRESSAVG: 1060800 -61.3062 -48.305 -20.5917 -48.305 59.926 -10.5333 -20.5917 -10.5333 16.9743 GPRESSAVG: 1060800 -59.6153 -47.7245 -20.4945 -49.263 59.2657 -11.8876 -22.2137 -7.33799 15.8086 TIMING: 1060800 CPU: 3340.96, 0.00316668/step Wall: 3340.96, 0.00316668/step, 3.46505 hours remaining, 235.812500 MB of memory in use. ENERGY: 1060800 4045.6957 20508.6149 14378.7000 231.8385 -203403.9024 2744.8716 0.0000 0.0000 52092.8628 -109401.3188 299.3784 -161494.1816 -109037.3480 299.5335 -111.0046 -79.6586 762156.1653 5.1980 5.1530 PRESSURE: 1061000 -44.6158 131.39 -150.332 131.39 -166.189 -53.8099 -150.333 -53.8089 15.3191 GPRESSURE: 1061000 -33.4569 -30.3664 -133.991 206.336 -40.517 -43.5241 -160.736 11.0588 -18.8559 PRESSAVG: 1061000 -42.1988 -57.0193 17.5392 -57.0193 21.4345 -5.52196 17.5392 -5.52202 -11.9429 GPRESSAVG: 1061000 -41.7896 -57.9722 16.1558 -55.7078 20.6134 -4.76524 18.6922 -6.89289 -11.651 TIMING: 1061000 CPU: 3341.6, 0.00316445/step Wall: 3341.6, 0.00316445/step, 3.46244 hours remaining, 235.812500 MB of memory in use. ENERGY: 1061000 3984.5936 20434.9389 14521.5979 222.5199 -203128.4262 2619.8951 0.0000 0.0000 52124.7264 -109220.1542 299.5615 -161344.8806 -108858.2507 299.1009 -65.1621 -30.9432 762925.3667 -10.9024 -10.9424 PRESSURE: 1061200 -155.521 -181.016 -310.49 -181.015 45.8351 -121.459 -310.49 -121.459 550.341 GPRESSURE: 1061200 -93.1145 -100.013 -262.335 -204.051 102.906 -231.139 -272.42 -61.1007 509.074 PRESSAVG: 1061200 45.5493 -28.1259 -35.3664 -28.1258 2.43931 -6.1404 -35.3664 -6.14043 -18.9496 GPRESSAVG: 1061200 44.6163 -27.6428 -34.0033 -28.3039 4.37646 -4.89023 -32.996 -4.7669 -19.2828 TIMING: 1061200 CPU: 3342.23, 0.00314832/step Wall: 3342.23, 0.00314832/step, 3.44461 hours remaining, 235.812500 MB of memory in use. ENERGY: 1061200 4082.1456 20516.5307 14470.0479 266.1903 -203494.7376 2903.1972 0.0000 0.0000 52046.2823 -109210.3437 299.1107 -161256.6260 -108849.9649 299.2839 146.8853 172.9549 762659.8589 9.6797 9.9033 PRESSURE: 1061400 218.596 -34.9835 115.81 -34.9836 68.9409 170.671 115.81 170.672 179.389 GPRESSURE: 1061400 372.983 -10.4348 198.545 -165.714 -10.4047 52.3086 -7.24035 140.486 181.323 PRESSAVG: 1061400 -2.10571 -17.7042 59.5101 -17.7043 26.405 -55.9877 59.5101 -55.9877 0.0620935 GPRESSAVG: 1061400 -1.52044 -18.0244 60.0799 -16.8511 25.1216 -55.6303 56.3931 -58.7279 0.534831 TIMING: 1061400 CPU: 3342.86, 0.00316615/step Wall: 3342.86, 0.00316615/step, 3.46394 hours remaining, 235.812500 MB of memory in use. ENERGY: 1061400 3830.2357 20546.6754 14480.9142 247.5784 -203055.9426 2536.5178 0.0000 0.0000 52156.1312 -109257.8898 299.7420 -161414.0210 -108885.5047 299.0042 155.6422 181.3006 762996.8728 8.1205 8.0453 PRESSURE: 1061600 -263.536 215.639 208.609 215.639 -216.314 196.574 208.609 196.574 414.728 GPRESSURE: 1061600 -263.7 147.015 192.619 235.385 -117.044 188.969 123.601 226.832 402.446 PRESSAVG: 1061600 -46.1857 -30.911 49.9605 -30.911 9.69779 4.89483 49.9605 4.89485 -23.1764 GPRESSAVG: 1061600 -47.0799 -32.4591 48.348 -29.9005 10.5885 5.01695 51.4888 4.3809 -22.474 TIMING: 1061600 CPU: 3343.49, 0.00315543/step Wall: 3343.49, 0.00315543/step, 3.45204 hours remaining, 235.812500 MB of memory in use. ENERGY: 1061600 3973.1090 20476.1722 14521.1604 262.8796 -203266.3451 2647.9385 0.0000 0.0000 52178.2081 -109206.8772 299.8689 -161385.0853 -108851.0344 299.3389 -21.7071 7.2338 763736.6345 -19.8881 -19.6551 PRESSURE: 1061800 -0.814563 -258.525 -161.113 -258.525 -465.417 -206.986 -161.112 -206.986 -230.518 GPRESSURE: 1061800 -21.8291 -131.171 -39.6063 -160.339 -394.228 -142.112 -123.247 -297.124 -188.192 PRESSAVG: 1061800 63.015 -17.161 23.2987 -17.161 -63.4775 26.2121 23.2986 26.2121 14.1726 GPRESSAVG: 1061800 64.8115 -16.1145 25.0404 -17.9015 -64.3823 23.934 21.7839 27.1408 13.255 TIMING: 1061800 CPU: 3344.13, 0.00317094/step Wall: 3344.13, 0.00317094/step, 3.46883 hours remaining, 235.812500 MB of memory in use. ENERGY: 1061800 4007.1371 20439.2559 14550.9835 264.0693 -203146.0736 2450.9719 0.0000 0.0000 52053.9594 -109379.6964 299.1548 -161433.6558 -109008.1892 299.4480 -232.2499 -201.4161 762766.1559 4.5700 4.5614 PRESSURE: 1062000 -255.244 -111.144 -44.4337 -111.145 41.2479 -12.3399 -44.4348 -12.3397 295.414 GPRESSURE: 1062000 -235.29 -2.54376 -81.4809 -93.4354 91.776 -33.765 -2.14246 -1.4502 309.822 PRESSAVG: 1062000 -15.2287 -52.58 -11.1488 -52.5801 28.5574 -80.5522 -11.1488 -80.5521 -4.07236 GPRESSAVG: 1062000 -16.4061 -51.7215 -11.0243 -52.5169 28.6534 -80.1385 -12.5704 -80.2952 -2.98382 TIMING: 1062000 CPU: 3344.76, 0.00318259/step Wall: 3344.76, 0.00318259/step, 3.4814 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1062000 3945.4943 20583.0198 14459.6848 242.0858 -203423.7976 2715.2208 0.0000 0.0000 52227.1310 -109251.1611 300.1500 -161478.2921 -108897.9829 299.7641 27.1390 55.4363 762956.9297 3.0855 3.0878 PRESSURE: 1062200 -313.405 -87.2165 74.131 -87.2151 -127.267 -160.775 74.1306 -160.776 315.37 GPRESSURE: 1062200 -314.711 -50.6847 82.6521 -64.6049 -199.103 -111.53 93.0004 -87.6331 479.2 PRESSAVG: 1062200 46.2414 -33.7011 -12.7216 -33.7011 -42.5459 4.88629 -12.7215 4.88627 14.0147 GPRESSAVG: 1062200 45.1616 -36.1633 -13.7307 -35.5025 -41.033 6.65413 -9.68694 4.08437 12.8719 TIMING: 1062200 CPU: 3345.39, 0.00314669/step Wall: 3345.39, 0.00314669/step, 3.44195 hours remaining, 235.812500 MB of memory in use. ENERGY: 1062200 3973.7275 20521.3394 14485.8556 241.6610 -203341.0552 2552.9854 0.0000 0.0000 52189.7700 -109375.7164 299.9353 -161565.4864 -109005.3022 299.6590 -41.7670 -11.5381 761273.6172 5.9034 5.6668 PRESSURE: 1062400 -187.978 15.4368 178.55 15.4364 -201.794 33.8447 178.551 33.844 70.3409 GPRESSURE: 1062400 -181.989 101.705 220.705 33.5049 -163.865 47.7455 165.223 -67.303 113.137 PRESSAVG: 1062400 21.6123 -11.1996 -45.9297 -11.1996 -70.8951 -7.56731 -45.9297 -7.56731 -22.5519 GPRESSAVG: 1062400 21.9875 -8.28938 -46.3623 -9.26898 -72.0061 -8.95781 -46.8511 -4.9355 -22.6294 TIMING: 1062400 CPU: 3346.02, 0.00315625/step Wall: 3346.02, 0.00315625/step, 3.45224 hours remaining, 235.812500 MB of memory in use. ENERGY: 1062400 3982.7894 20632.7767 14509.2815 271.2826 -203366.0456 2576.0900 0.0000 0.0000 51995.0587 -109398.7668 298.8163 -161393.8255 -109030.7264 299.3077 -106.4772 -77.5725 759234.5656 -23.9449 -24.2160 PRESSURE: 1062600 89.2398 -152.514 38.5614 -152.514 182.029 -39.8901 38.5603 -39.8902 -334.604 GPRESSURE: 1062600 134.664 -103.433 43.3378 -151.038 163.505 4.51117 86.0003 1.85786 -282.828 PRESSAVG: 1062600 66.5203 -66.1292 -14.8641 -66.1292 -58.9746 8.29348 -14.8641 8.29333 9.00061 GPRESSAVG: 1062600 67.2095 -66.8553 -14.6205 -66.4865 -59.4961 7.88246 -13.2885 5.90154 9.08134 TIMING: 1062600 CPU: 3346.65, 0.00315148/step Wall: 3346.65, 0.00315148/step, 3.44684 hours remaining, 235.812500 MB of memory in use. ENERGY: 1062600 3979.8172 20502.1023 14529.2451 249.7334 -203680.1369 2903.5409 0.0000 0.0000 52188.3862 -109327.3118 299.9274 -161515.6980 -108964.9149 299.7759 -21.1119 5.1139 761542.7014 5.5154 5.5982 PRESSURE: 1062800 -171.277 -101.376 134.171 -101.377 118.666 -121.958 134.171 -121.957 284.843 GPRESSURE: 1062800 -100.76 -71.2633 179.259 -67.8247 107.567 -140.264 294.228 -140.48 289.394 PRESSAVG: 1062800 21.2712 -48.1972 -34.086 -48.1972 -35.2066 -38.6034 -34.086 -38.6034 33.9459 GPRESSAVG: 1062800 20.7233 -47.8243 -34.4857 -47.8289 -35.2304 -36.8025 -34.8421 -36.7475 33.937 TIMING: 1062800 CPU: 3347.28, 0.00315782/step Wall: 3347.28, 0.00315782/step, 3.4536 hours remaining, 235.812500 MB of memory in use. ENERGY: 1062800 3960.5309 20591.3029 14445.9040 250.0090 -203085.2519 2420.1439 0.0000 0.0000 52143.1652 -109274.1960 299.6675 -161417.3612 -108911.5137 299.6564 77.4110 98.7339 762658.7322 6.6702 6.4766 PRESSURE: 1063000 33.7414 -313.225 -60.535 -313.225 271.987 -59.9672 -60.5338 -59.9681 34.3412 GPRESSURE: 1063000 152.549 -387.76 -90.7783 -339.882 233.551 -129.511 35.603 -177.039 36.8884 PRESSAVG: 1063000 -12.7742 -61.7305 -18.9158 -61.7305 58.815 3.74497 -18.9159 3.74502 17.177 GPRESSAVG: 1063000 -12.6847 -61.781 -18.0347 -61.7181 58.7669 3.19362 -20.5426 2.48331 16.8632 TIMING: 1063000 CPU: 3347.92, 0.00316123/step Wall: 3347.92, 0.00316123/step, 3.45715 hours remaining, 235.812500 MB of memory in use. ENERGY: 1063000 3921.1881 20552.8359 14509.3840 240.7439 -203474.8854 2888.3949 0.0000 0.0000 52054.2973 -109308.0412 299.1568 -161362.3385 -108946.9546 299.3534 113.3564 140.9961 763082.4492 21.0726 20.9818 PRESSURE: 1063200 117.317 131.805 59.978 131.804 -8.77339 148.917 59.9781 148.917 160.726 GPRESSURE: 1063200 203.147 207.072 113.462 94.8054 10.602 116.84 -39.5846 107.43 157.566 PRESSAVG: 1063200 42.4915 -17.943 37.7381 -17.943 -44.1646 37.9637 37.7381 37.9637 -10.2992 GPRESSAVG: 1063200 41.4759 -20.8861 38.7265 -18.0632 -43.7618 38.2934 36.8153 37.265 -10.0057 TIMING: 1063200 CPU: 3348.55, 0.00318023/step Wall: 3348.55, 0.00318023/step, 3.47775 hours remaining, 235.812500 MB of memory in use. ENERGY: 1063200 4000.3899 20565.1366 14552.9082 239.7357 -203012.5155 2399.6203 0.0000 0.0000 52007.2119 -109247.5128 298.8862 -161254.7247 -108876.4148 299.4240 89.7566 123.7715 762458.3046 -3.9908 -4.0972 PRESSURE: 1063400 351.618 30.1943 -64.7851 30.1945 -264.524 -40.0781 -64.7845 -40.078 42.3066 GPRESSURE: 1063400 324.166 125.985 -91.1479 -138.499 -178.185 45.6851 -88.2054 -51.2145 59.7188 PRESSAVG: 1063400 42.4615 15.9785 -2.17088 15.9785 -30.1396 -13.4635 -2.17088 -13.4634 -9.06624 GPRESSAVG: 1063400 43.3477 20.3069 -3.91828 13.4011 -30.0417 -13.635 1.24004 -12.2431 -10.5187 TIMING: 1063400 CPU: 3349.19, 0.00318265/step Wall: 3349.19, 0.00318265/step, 3.48023 hours remaining, 235.812500 MB of memory in use. ENERGY: 1063400 3941.7965 20562.5635 14466.7792 249.7402 -203307.2919 2629.4562 0.0000 0.0000 52063.2519 -109393.7044 299.2082 -161456.9564 -109035.4468 299.3134 43.1334 68.5666 762992.2260 1.0852 0.9291 PRESSURE: 1063600 165.012 -87.5633 63.523 -87.5617 112.886 -77.18 63.5224 -77.1809 -223.842 GPRESSURE: 1063600 263.691 -118.135 -29.3469 61.8063 51.8472 -136.117 30.4499 -143.412 -159.489 PRESSAVG: 1063600 54.337 -16.3216 9.43227 -16.3215 -54.4876 -0.518775 9.43226 -0.518829 2.40315 GPRESSAVG: 1063600 53.6926 -17.1425 9.59977 -14.8998 -55.3814 -0.582189 9.11153 0.732846 4.62187 TIMING: 1063600 CPU: 3349.83, 0.00318007/step Wall: 3349.83, 0.00318007/step, 3.47723 hours remaining, 235.812500 MB of memory in use. ENERGY: 1063600 3985.4838 20499.1090 14506.2008 223.7742 -203446.0869 2666.5622 0.0000 0.0000 52105.3544 -109459.6026 299.4502 -161564.9570 -109103.1911 298.9915 18.0187 52.0164 761149.0930 0.7508 0.9777 PRESSURE: 1063800 109.582 135.64 -24.0266 135.64 -29.7702 24.9516 -24.0257 24.9516 -157.019 GPRESSURE: 1063800 194.08 79.3274 -37.077 -12.704 -17.6859 77.4005 -67.0239 -65.8484 -154.891 PRESSAVG: 1063800 38.9383 2.93407 -5.75732 2.93411 -54.5375 4.55755 -5.75723 4.55748 -7.85351 GPRESSAVG: 1063800 39.3667 1.0262 -6.07792 1.56633 -53.4403 4.25449 -6.68469 0.877942 -9.30452 TIMING: 1063800 CPU: 3350.46, 0.00317579/step Wall: 3350.46, 0.00317579/step, 3.47237 hours remaining, 235.812500 MB of memory in use. ENERGY: 1063800 4035.1471 20426.8323 14438.0018 231.7671 -203229.9285 2501.3364 0.0000 0.0000 52018.9383 -109577.9055 298.9536 -161596.8438 -109214.8925 298.9173 -25.7359 7.1679 761537.9673 -7.8176 -7.7927 PRESSURE: 1064000 277.297 -99.8072 -65.8465 -99.8069 93.9076 -50.2505 -65.8455 -50.2525 -381.353 GPRESSURE: 1064000 291.68 0.491232 -51.2973 -20.745 71.2737 -107.075 -69.6758 -80.8282 -303.235 PRESSAVG: 1064000 -7.05859 -13.9448 -28.6721 -13.9448 -36.7067 -22.7313 -28.6721 -22.7313 15.8379 GPRESSAVG: 1064000 -8.16258 -13.3669 -26.7757 -11.3412 -35.7171 -24.0991 -30.0844 -19.211 16.0091 TIMING: 1064000 CPU: 3351.09, 0.00316805/step Wall: 3351.09, 0.00316805/step, 3.46374 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1064000 4019.6381 20363.9046 14415.7461 251.3125 -203497.2114 2741.4082 0.0000 0.0000 52087.2601 -109617.9419 299.3462 -161705.2020 -109253.0221 298.7733 -3.3827 19.9061 762341.1556 -9.3091 -9.2902 PRESSURE: 1064200 387.963 -39.1853 -11.3966 -39.1857 -52.3039 183.137 -11.3975 183.136 -349.77 GPRESSURE: 1064200 388.54 -98.4848 39.9322 -122.034 -12.1388 123.165 -46.2084 158.455 -322.348 PRESSAVG: 1064200 26.3965 -12.1925 19.295 -12.1925 -32.7367 -23.4347 19.2949 -23.4347 4.83697 GPRESSAVG: 1064200 28.0327 -12.5958 17.1003 -11.5722 -34.9039 -22.5743 21.6941 -24.0101 5.41133 TIMING: 1064200 CPU: 3351.73, 0.00316139/step Wall: 3351.73, 0.00316139/step, 3.45628 hours remaining, 235.812500 MB of memory in use. ENERGY: 1064200 3961.7696 20685.2042 14500.3646 242.9706 -203977.5852 3071.8394 0.0000 0.0000 51932.1779 -109583.2588 298.4549 -161515.4367 -109233.9225 299.3466 -4.7037 18.0179 763187.7647 -0.5011 -0.4866 LDB: ============= START OF LOAD BALANCING ============== 3364.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3364.13 LDB: =============== DONE WITH MIGRATION ================ 3364.13 LDB: ============= START OF LOAD BALANCING ============== 3364.45 LDB: Largest compute 7077 load 0.035603 is 18.2% of average load 0.195897 LDB: Average compute 0.004407 is 2.2% of average load 0.195897 LDB: TIME 3364.45 LOAD: AVG 0.195897 MAX 0.216148 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.586 MB LDB: TIME 3364.45 LOAD: AVG 0.195897 MAX 0.216148 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: TIME 3364.45 LOAD: AVG 0.195897 MAX 0.216148 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: ============== END OF LOAD BALANCING =============== 3364.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3364.46 PRESSURE: 1064400 332.338 -138.713 -319.138 -138.712 8.53377 67.0394 -319.14 67.0389 234.966 GPRESSURE: 1064400 341.131 -83.5509 -239.083 -227.766 8.2432 92.0974 -287.116 155.328 314.292 PRESSAVG: 1064400 -6.94959 -15.7417 33.532 -15.7417 -31.9904 22.3811 33.532 22.381 -8.57084 GPRESSAVG: 1064400 -7.2102 -14.1018 34.4754 -18.1135 -32.371 22.5769 33.0691 23.2949 -8.1494 TIMING: 1064400 CPU: 3352.37, 0.00323795/step Wall: 3352.37, 0.00323795/step, 3.5398 hours remaining, 237.238281 MB of memory in use. ENERGY: 1064400 3996.3773 20515.3253 14398.7514 246.6946 -203770.0651 3015.1816 0.0000 0.0000 52240.3494 -109357.3854 300.2260 -161597.7348 -108990.4466 298.7365 191.9461 221.2220 763068.9568 -15.8369 -15.9102 PRESSURE: 1064600 33.7047 -112.32 22.1573 -112.32 149.509 -125.136 22.1569 -125.138 267.285 GPRESSURE: 1064600 47.7006 -35.296 -91.0501 -102.553 247.508 -83.1024 -61.1622 -113.449 230.982 PRESSAVG: 1064600 20.1773 -14.2353 -11.5393 -14.2352 -19.475 -27.8993 -11.5394 -27.8994 -6.2842 GPRESSAVG: 1064600 20.0933 -15.6274 -13.0984 -14.5611 -17.9172 -29.0124 -11.7309 -29.583 -7.35781 TIMING: 1064600 CPU: 3353.01, 0.00316741/step Wall: 3353.01, 0.00316741/step, 3.46251 hours remaining, 237.308594 MB of memory in use. ENERGY: 1064600 4033.9019 20601.2096 14489.8364 246.1296 -203519.9573 2768.7584 0.0000 0.0000 51999.8675 -109380.2539 298.8440 -161380.1215 -109013.9490 299.9011 150.1662 175.3969 762860.2456 -1.8606 -1.7272 PRESSURE: 1064800 -103.162 -114.978 91.7974 -114.978 -160.057 -182.969 91.7963 -182.97 134.697 GPRESSURE: 1064800 -100.666 -76.7842 101.409 -111.598 -113.283 -98.6076 97.2846 -99.6884 172.146 PRESSAVG: 1064800 -22.944 -21.7348 -21.8542 -21.7348 14.1024 -22.2176 -21.8542 -22.2176 -16.7674 GPRESSAVG: 1064800 -24.2144 -22.1554 -20.9891 -21.3821 15.3864 -20.5782 -22.4324 -20.2168 -16.7048 TIMING: 1064800 CPU: 3353.64, 0.00315456/step Wall: 3353.64, 0.00315456/step, 3.44829 hours remaining, 237.308594 MB of memory in use. ENERGY: 1064800 3957.7026 20412.8092 14480.9398 251.1899 -203237.4730 2509.0289 0.0000 0.0000 52059.8938 -109565.9087 299.1889 -161625.8025 -109204.5754 299.4268 -42.8409 -13.9344 762305.8203 -8.5363 -8.5110 PRESSURE: 1065000 340.315 -99.6364 -71.3037 -99.6366 119.393 299.922 -71.3034 299.922 389.094 GPRESSURE: 1065000 411.285 -152.243 -31.3096 -110.024 180.234 237.727 45.4414 116.432 330.072 PRESSAVG: 1065000 45.7475 -28.6478 3.03768 -28.6479 -10.5499 25.7265 3.03767 25.7265 -2.31432 GPRESSAVG: 1065000 47.523 -27.8255 3.87908 -29.2139 -12.408 24.7257 4.11423 23.2967 -2.52147 TIMING: 1065000 CPU: 3354.27, 0.00317313/step Wall: 3354.27, 0.00317313/step, 3.46841 hours remaining, 237.308594 MB of memory in use. ENERGY: 1065000 3968.1335 20407.3243 14445.0744 248.2438 -203457.5602 2841.0338 0.0000 0.0000 52328.3669 -109219.3835 300.7318 -161547.7504 -108843.8737 299.2503 282.9341 307.1970 762409.7309 10.9611 10.8645 PRESSURE: 1065200 35.7031 83.4772 -136.366 83.4762 -60.9021 0.251741 -136.366 0.251926 140.111 GPRESSURE: 1065200 78.5901 142.622 -136.338 24.7867 0.495179 -21.4806 -56.4637 -105.312 125.426 PRESSAVG: 1065200 -18.9592 -31.9061 8.10676 -31.906 23.7355 19.5016 8.10674 19.5017 19.9601 GPRESSAVG: 1065200 -19.9766 -30.2947 9.18856 -32.5338 24.5336 19.4272 8.23416 20.2994 20.0523 TIMING: 1065200 CPU: 3354.91, 0.00317834/step Wall: 3354.91, 0.00317834/step, 3.47393 hours remaining, 237.308594 MB of memory in use. ENERGY: 1065200 3988.3430 20414.4894 14450.2550 247.4792 -202878.6316 2627.7123 0.0000 0.0000 51750.2790 -109400.0737 297.4096 -161150.3526 -109044.8237 298.9700 38.3042 68.1704 764791.7184 8.2455 8.2031 PRESSURE: 1065400 314.444 12.3922 -18.5079 12.3926 370.893 38.1169 -18.5084 38.1177 315.54 GPRESSURE: 1065400 370.561 32.6806 17.3857 57.7849 415.668 -15.6097 38.4045 162.755 302.715 PRESSAVG: 1065400 33.7208 -51.2555 -29.9443 -51.2555 -33.1281 16.8762 -29.9442 16.8762 -14.2818 GPRESSAVG: 1065400 34.7968 -52.5859 -31.3984 -50.2743 -34.2393 17.9242 -29.8355 18.8453 -14.6398 TIMING: 1065400 CPU: 3355.54, 0.0031786/step Wall: 3355.54, 0.0031786/step, 3.47403 hours remaining, 237.308594 MB of memory in use. ENERGY: 1065400 4014.5632 20446.8088 14408.5910 249.0310 -203891.5329 3153.4191 0.0000 0.0000 52290.0583 -109329.0615 300.5117 -161619.1198 -108974.1731 298.7990 333.6256 362.9810 762556.0613 -4.5631 -4.6941 PRESSURE: 1065600 -230.3 -108.267 364.189 -108.269 36.958 -69.8912 364.189 -69.8918 226.084 GPRESSURE: 1065600 -150.801 -78.8201 321.509 -68.2481 0.713112 -76.5568 248.022 -80.2314 274.86 PRESSAVG: 1065600 59.7075 13.5767 20.8456 13.5767 -14.7988 -14.5164 20.8456 -14.5164 3.06626 GPRESSAVG: 1065600 58.8136 13.1854 20.3448 15.3985 -14.3391 -17.2301 20.3541 -15.9876 3.26086 TIMING: 1065600 CPU: 3356.18, 0.00316617/step Wall: 3356.18, 0.00316617/step, 3.46027 hours remaining, 237.308594 MB of memory in use. ENERGY: 1065600 3969.6507 20579.2031 14459.3634 256.6371 -203647.4430 2919.8525 0.0000 0.0000 52143.8912 -109318.8452 299.6717 -161462.7363 -108958.6308 299.0870 10.9140 41.5908 763329.2050 15.9916 15.9118 PRESSURE: 1065800 140.915 -55.5257 85.2239 -55.5261 -25.5378 28.4365 85.2235 28.4365 144.647 GPRESSURE: 1065800 129.672 -65.4167 74.7442 14.7239 58.6272 -43.7901 81.8603 87.9474 162.06 PRESSAVG: 1065800 -4.51409 -28.372 46.6444 -28.3719 10.1994 9.65003 46.6444 9.65012 -10.2335 GPRESSAVG: 1065800 -4.04813 -28.414 47.3069 -29.4212 10.7953 11.3248 45.5654 9.83622 -10.5814 TIMING: 1065800 CPU: 3356.81, 0.0031629/step Wall: 3356.81, 0.0031629/step, 3.45652 hours remaining, 237.308594 MB of memory in use. ENERGY: 1065800 3997.8877 20530.5053 14502.7204 233.1668 -203241.5392 2686.3117 0.0000 0.0000 51880.2237 -109410.7235 298.1564 -161290.9472 -109044.5195 299.2304 86.6745 116.7864 762950.5731 -1.5161 -1.2781 PRESSURE: 1066000 -190.483 -248.678 130.407 -248.677 137.83 139.907 130.407 139.907 -18.1221 GPRESSURE: 1066000 -64.5939 -212.368 73.4293 -120.807 141.159 177.104 10.6374 160.346 -76.6629 PRESSAVG: 1066000 -46.8122 -61.6032 -33.4913 -61.6032 0.510618 10.9753 -33.4913 10.9753 16.7332 GPRESSAVG: 1066000 -47.2144 -62.3849 -34.0945 -62.0157 -0.0151274 13.5736 -29.9449 9.56613 17.2587 TIMING: 1066000 CPU: 3357.44, 0.00317259/step Wall: 3357.44, 0.00317259/step, 3.46694 hours remaining, 237.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1066000 3979.6649 20471.5275 14457.1532 265.0709 -203422.4731 2788.9004 0.0000 0.0000 51912.7146 -109547.4417 298.3431 -161460.1562 -109179.0430 298.6547 -23.5917 -0.0327 762738.2706 -9.8561 -9.9903 PRESSURE: 1066200 130.192 -98.9272 162.976 -98.9276 118.434 -56.5263 162.977 -56.525 115.7 GPRESSURE: 1066200 229.34 -159.613 87.8398 -134.757 134.731 -182.869 192.606 -156.681 90.3431 PRESSAVG: 1066200 36.9261 -64.5009 -30.5546 -64.5009 -12.2612 -44.6564 -30.5546 -44.6563 15.4584 GPRESSAVG: 1066200 36.8793 -62.9993 -30.1748 -63.6888 -12.5405 -46.5322 -33.6911 -44.0274 15.5125 TIMING: 1066200 CPU: 3358.08, 0.00317603/step Wall: 3358.08, 0.00317603/step, 3.47052 hours remaining, 237.308594 MB of memory in use. ENERGY: 1066200 3942.4036 20463.8842 14486.0574 236.3532 -203497.1372 2891.0869 0.0000 0.0000 51954.4156 -109522.9363 298.5827 -161477.3519 -109162.4702 298.8611 121.4420 151.4714 762424.9631 13.3744 13.2837 PRESSURE: 1066400 207.596 -180.101 80.1714 -180.1 75.1304 3.67498 80.1702 3.6753 -54.9196 GPRESSURE: 1066400 209.818 -149.486 80.3893 -107.806 97.8744 30.0355 -58.3276 -37.5582 -2.36598 PRESSAVG: 1066400 -42.1579 -44.1594 -12.937 -44.1594 34.4263 -19.4939 -12.9371 -19.4939 2.30915 GPRESSAVG: 1066400 -43.5146 -45.5466 -13.1465 -43.2682 34.5367 -18.4672 -12.5535 -20.3908 3.26541 TIMING: 1066400 CPU: 3358.71, 0.00317553/step Wall: 3358.71, 0.00317553/step, 3.4698 hours remaining, 237.308594 MB of memory in use. ENERGY: 1066400 3952.3829 20399.5325 14559.5155 227.6021 -203355.2440 2767.1817 0.0000 0.0000 51935.3031 -109513.7263 298.4729 -161449.0294 -109143.0070 298.6265 75.9355 101.7755 762235.6753 -1.8075 -1.9041 PRESSURE: 1066600 107.654 151.431 -207.256 151.431 -416.558 176.459 -207.257 176.458 -498.74 GPRESSURE: 1066600 140.42 126.459 -170.5 139.774 -379.896 204.919 -240.484 127.118 -472.864 PRESSAVG: 1066600 6.23592 -71.9203 -35.6899 -71.9203 -29.4336 -30.159 -35.6898 -30.159 -29.7016 GPRESSAVG: 1066600 6.52019 -70.489 -34.7486 -73.3085 -29.414 -30.9304 -36.0997 -29.3127 -30.0721 TIMING: 1066600 CPU: 3359.35, 0.00316854/step Wall: 3359.35, 0.00316854/step, 3.46198 hours remaining, 237.308594 MB of memory in use. ENERGY: 1066600 3967.7313 20510.1167 14471.1642 241.9429 -203681.3717 2724.1946 0.0000 0.0000 52288.2052 -109478.0168 300.5010 -161766.2221 -109106.8052 299.0379 -269.2146 -237.4463 762248.2892 -17.6331 -17.6553 PRESSURE: 1066800 -95.774 82.9484 -23.4538 82.9487 407.809 -239.26 -23.4546 -239.26 173.719 GPRESSURE: 1066800 -14.6939 102.722 19.8363 -13.3286 488.94 -195.24 10.8949 -138.111 82.2402 PRESSAVG: 1066800 -20.7335 -15.05 42.2825 -15.05 31.5906 -11.4641 42.2825 -11.4641 17.6318 GPRESSAVG: 1066800 -19.8981 -16.5199 43.5594 -15.7901 32.4027 -12.8663 41.0327 -9.48377 16.1327 TIMING: 1066800 CPU: 3359.98, 0.00317718/step Wall: 3359.98, 0.00317718/step, 3.47125 hours remaining, 237.308594 MB of memory in use. ENERGY: 1066800 4020.6089 20542.3370 14473.9330 250.7844 -203765.4481 2929.6264 0.0000 0.0000 52043.4743 -109504.6842 299.0946 -161548.1584 -109144.3829 298.7973 161.9178 185.4953 761240.9454 9.4963 9.5458 PRESSURE: 1067000 -83.5172 -8.02256 -17.1885 -8.02347 -16.1718 295.013 -17.1892 295.012 -281.366 GPRESSURE: 1067000 -128.741 -55.3855 -52.8878 64.8042 20.5177 296.223 -53.8613 210.319 -196.795 PRESSAVG: 1067000 4.10107 1.88635 -30.0858 1.88639 -6.85095 29.8963 -30.0859 29.8962 3.03272 GPRESSAVG: 1067000 3.58578 0.837114 -31.8603 3.06382 -6.9709 30.2813 -28.2284 27.6537 3.9092 TIMING: 1067000 CPU: 3360.62, 0.00317408/step Wall: 3360.62, 0.00317408/step, 3.46768 hours remaining, 237.308594 MB of memory in use. ENERGY: 1067000 3976.4547 20428.5157 14508.0530 241.6437 -203576.0790 2660.6006 0.0000 0.0000 51931.6350 -109829.1763 298.4518 -161760.8113 -109455.4985 298.6703 -127.0184 -101.6728 762247.8232 0.0943 0.1747 PRESSURE: 1067200 -114.941 163.875 109.417 163.874 141.263 -153.024 109.416 -153.024 6.11162 GPRESSURE: 1067200 20.2145 88.2193 75.8458 62.5306 141.524 -169.909 205.429 -193.787 -24.5988 PRESSAVG: 1067200 15.303 -62.3139 28.3963 -62.3138 24.7513 33.2029 28.3963 33.2029 1.96663 GPRESSAVG: 1067200 14.0343 -61.1673 27.4421 -65.1076 25.207 32.4712 28.9164 33.6633 2.43388 TIMING: 1067200 CPU: 3361.25, 0.00315276/step Wall: 3361.25, 0.00315276/step, 3.44422 hours remaining, 237.308594 MB of memory in use. ENERGY: 1067200 3985.1355 20459.2735 14371.1304 226.8919 -203910.6338 2990.8051 0.0000 0.0000 51942.9155 -109934.4818 298.5166 -161877.3973 -109572.8066 298.0551 10.8110 45.7131 761569.1811 14.0070 13.8917 PRESSURE: 1067400 -165.174 -36.9925 121.47 -36.9923 -128.056 -110.7 121.47 -110.701 212.485 GPRESSURE: 1067400 -189.724 -13.1053 68.0337 -81.0395 15.2829 -176.977 66.7025 -139.457 196.473 PRESSAVG: 1067400 3.70963 -31.7884 14.2871 -31.7884 -19.1496 5.8688 14.2872 5.86878 -20.6573 GPRESSAVG: 1067400 3.33696 -31.497 14.9977 -30.9838 -19.1309 4.77816 15.3302 6.72989 -20.4283 TIMING: 1067400 CPU: 3361.88, 0.0031501/step Wall: 3361.88, 0.0031501/step, 3.44114 hours remaining, 237.308594 MB of memory in use. ENERGY: 1067400 3937.8433 20392.3874 14385.4113 245.5378 -203355.8466 2604.8153 0.0000 0.0000 52082.4998 -109707.3517 299.3188 -161789.8515 -109349.6327 298.7488 -26.9149 7.3439 762445.2540 -12.0324 -12.0741 PRESSURE: 1067600 -394.951 -67.6146 -3.67623 -67.6151 11.6475 50.4139 -3.67556 50.4144 119.15 GPRESSURE: 1067600 -352.039 -141.073 -51.9994 50.8339 20.5819 -57.7999 84.6984 -57.2986 149.213 PRESSAVG: 1067600 -7.03985 -43.5144 51.155 -43.5145 27.0883 -38.2462 51.1549 -38.2463 6.49452 GPRESSAVG: 1067600 -5.92568 -41.9472 49.8074 -41.8637 26.8758 -36.0303 49.5674 -38.3713 5.5987 TIMING: 1067600 CPU: 3362.51, 0.00314559/step Wall: 3362.51, 0.00314559/step, 3.43603 hours remaining, 237.308594 MB of memory in use. ENERGY: 1067600 3993.8722 20477.0235 14499.5859 251.7865 -203441.3102 2638.9802 0.0000 0.0000 51843.2069 -109736.8551 297.9436 -161580.0620 -109373.7350 298.6909 -88.0513 -60.7480 760459.8903 8.8476 8.8496 PRESSURE: 1067800 137.455 -78.7526 -155.34 -78.7531 248.719 -63.2058 -155.339 -63.2055 139.519 GPRESSURE: 1067800 149.24 -103.419 -238.078 9.60663 289.319 -34.742 -105.735 -38.6317 173.428 PRESSAVG: 1067800 -48.5683 -60.8832 22.7663 -60.8832 85.4089 35.4036 22.7663 35.4036 -16.4551 GPRESSAVG: 1067800 -47.7321 -62.8955 23.2289 -61.1843 85.4299 36.5363 21.8332 35.6096 -17.0174 TIMING: 1067800 CPU: 3363.14, 0.00317278/step Wall: 3363.14, 0.00317278/step, 3.46555 hours remaining, 237.308594 MB of memory in use. ENERGY: 1067800 3960.1668 20509.5696 14492.0087 244.5423 -203591.3167 2669.2593 0.0000 0.0000 51912.6822 -109803.0880 298.3429 -161715.7701 -109438.8636 298.6001 175.2309 203.9958 759342.0206 6.7952 6.8935 PRESSURE: 1068000 -281.107 195.118 -29.3744 195.118 -90.1725 -161.486 -29.3741 -161.486 -103.538 GPRESSURE: 1068000 -234.698 160.939 -23.2324 186.163 -44.6739 -137.664 -51.661 -138.846 -103.306 PRESSAVG: 1068000 -93.4865 -22.1562 17.4568 -22.1562 53.1084 -6.40816 17.4568 -6.40816 -2.90091 GPRESSAVG: 1068000 -93.5385 -20.9917 16.2867 -23.1684 52.0468 -7.80734 19.4619 -5.53763 -2.21722 TIMING: 1068000 CPU: 3363.78, 0.0031664/step Wall: 3363.78, 0.0031664/step, 3.45841 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1068000 4017.6134 20466.2979 14466.5832 243.9915 -203266.0376 2541.6506 0.0000 0.0000 51789.3874 -109740.5137 297.6343 -161529.9011 -109363.1587 298.7050 -158.2725 -127.5593 761510.4178 -14.4263 -14.5696 PRESSURE: 1068200 95.3797 35.385 16.6016 35.3848 293.747 -193.15 16.6021 -193.149 25.0691 GPRESSURE: 1068200 155.242 53.2734 -44.8737 -6.00618 384.168 -103.92 -19.9557 -184.441 -41.0541 PRESSAVG: 1068200 -20.1395 -27.2378 -1.11584 -27.2378 28.7297 0.431808 -1.11588 0.431775 26.3587 GPRESSAVG: 1068200 -20.8619 -29.2856 0.118957 -26.9054 30.8459 0.782894 -0.111658 -0.529773 25.3416 TIMING: 1068200 CPU: 3364.41, 0.00315344/step Wall: 3364.41, 0.00315344/step, 3.44408 hours remaining, 237.445312 MB of memory in use. ENERGY: 1068200 4000.0369 20400.6130 14468.8716 246.1758 -203761.8186 2953.1082 0.0000 0.0000 52104.0564 -109588.9566 299.4427 -161693.0130 -109232.9669 298.7535 138.0651 166.1189 762276.6313 11.6496 11.7752 LDB: ============= START OF LOAD BALANCING ============== 3376.81 LDB: ============== END OF LOAD BALANCING =============== 3376.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3376.81 LDB: ============= START OF LOAD BALANCING ============== 3377.13 LDB: Largest compute 7077 load 0.035421 is 18.1% of average load 0.195936 LDB: Average compute 0.004383 is 2.2% of average load 0.195936 LDB: TIME 3377.13 LOAD: AVG 0.195936 MAX 0.21264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.91 MB LDB: TIME 3377.13 LOAD: AVG 0.195936 MAX 0.21264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: TIME 3377.13 LOAD: AVG 0.195936 MAX 0.21264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: ============== END OF LOAD BALANCING =============== 3377.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3377.14 PRESSURE: 1068400 -132.859 46.6713 113.359 46.6708 -72.9238 77.1254 113.359 77.1254 -94.8282 GPRESSURE: 1068400 -67.8981 33.3618 83.8503 73.2105 -102.136 -1.58139 19.6477 86.0643 -43.1044 PRESSAVG: 1068400 -39.4021 17.9045 40.6072 17.9045 5.55713 21.84 40.6071 21.8399 -9.28444 GPRESSAVG: 1068400 -39.6644 19.7644 38.7281 17.207 5.23133 21.7642 38.0707 23.622 -8.10877 TIMING: 1068400 CPU: 3365.06, 0.00324234/step Wall: 3365.06, 0.00324234/step, 3.54099 hours remaining, 237.449219 MB of memory in use. ENERGY: 1068400 3984.1967 20645.1002 14483.5721 252.2838 -203688.3839 2886.6950 0.0000 0.0000 51706.4744 -109730.0618 297.1578 -161436.5361 -109370.8659 298.6846 -100.2037 -71.0463 763052.7250 -14.3765 -14.1806 PRESSURE: 1068600 94.667 -75.5558 42.8831 -75.5565 -45.9696 -152.247 42.8839 -152.248 463.1 GPRESSURE: 1068600 43.7025 -65.0224 57.4028 -129.407 85.9749 -37.9516 -44.0273 -149.333 457.804 PRESSAVG: 1068600 -23.6053 -18.3845 38.1298 -18.3845 23.2007 -12.849 38.1297 -12.849 -0.274605 GPRESSAVG: 1068600 -23.9679 -17.6106 41.2967 -18.1609 23.0715 -11.9298 36.9803 -13.9037 0.926017 TIMING: 1068600 CPU: 3365.69, 0.00316863/step Wall: 3365.69, 0.00316864/step, 3.46033 hours remaining, 237.515625 MB of memory in use. ENERGY: 1068600 3986.8223 20484.0435 14432.6164 254.2489 -203416.5290 2870.9237 0.0000 0.0000 51858.3940 -109529.4802 298.0309 -161387.8742 -109171.3429 298.7922 170.5993 195.8270 762348.1851 -0.2264 0.0099 PRESSURE: 1068800 -39.7873 -103.916 -113.895 -103.916 -90.6479 -5.81902 -113.895 -5.81928 22.3249 GPRESSURE: 1068800 -111.055 -141.929 -48.2342 -19.416 31.7095 -77.7319 -142.79 27.1845 50.7773 PRESSAVG: 1068800 -33.0369 -1.10707 9.86845 -1.10704 7.7258 23.4014 9.86849 23.4014 18.5032 GPRESSAVG: 1068800 -34.1005 -5.11601 8.35284 0.27373 9.68004 20.5764 11.1527 24.2517 17.6602 TIMING: 1068800 CPU: 3366.32, 0.00316588/step Wall: 3366.32, 0.00316588/step, 3.45715 hours remaining, 237.515625 MB of memory in use. ENERGY: 1068800 3974.3159 20611.0884 14418.1340 233.6928 -203176.6367 2517.5176 0.0000 0.0000 52067.0185 -109354.8694 299.2299 -161421.8879 -108985.2994 298.3849 -36.0368 -9.5227 762371.0676 -2.2693 -2.2534 PRESSURE: 1069000 -145.373 -34.599 290.59 -34.5988 54.1996 144.745 290.59 144.746 83.1676 GPRESSURE: 1069000 -14.3752 89.8721 292.819 -50.2918 -6.83946 116.556 330.247 87.6565 97.917 PRESSAVG: 1069000 -38.8887 -51.881 -9.05708 -51.881 42.2813 0.333924 -9.05707 0.333925 16.8729 GPRESSAVG: 1069000 -37.4654 -48.2809 -9.4244 -54.6678 40.7572 2.07433 -8.21657 -1.48137 16.8619 TIMING: 1069000 CPU: 3366.96, 0.00317137/step Wall: 3366.96, 0.00317137/step, 3.46296 hours remaining, 237.515625 MB of memory in use. ENERGY: 1069000 4013.6517 20529.5581 14330.0235 237.6238 -203346.7084 2924.9200 0.0000 0.0000 51908.5400 -109402.3914 298.3191 -161310.9314 -109042.2748 298.9833 -2.6687 25.5674 761204.1527 6.7552 6.7179 PRESSURE: 1069200 -199.715 -39.7148 -27.6056 -39.7144 -90.7884 20.1557 -27.6051 20.1567 -212.622 GPRESSURE: 1069200 -147.47 -37.5793 -22.7868 14.1829 -140.082 -30.7246 1.07671 36.4865 -127.858 PRESSAVG: 1069200 -27.5252 19.5982 -40.6367 19.5982 -5.71716 47.7144 -40.6366 47.7144 -1.43554 GPRESSAVG: 1069200 -27.1635 18.2773 -38.9396 23.0884 -6.7355 48.4894 -41.5231 45.4709 -1.20992 TIMING: 1069200 CPU: 3367.59, 0.00316571/step Wall: 3367.59, 0.00316571/step, 3.45661 hours remaining, 237.554688 MB of memory in use. ENERGY: 1069200 3934.2172 20480.9912 14506.3996 254.6248 -203275.2664 2553.5315 0.0000 0.0000 52070.2025 -109475.2996 299.2482 -161545.5021 -109112.4555 299.3309 -167.7085 -138.4700 761332.2684 -11.5593 -11.7030 PRESSURE: 1069400 103.819 -191.23 -135.716 -191.229 76.3594 278.586 -135.717 278.585 58.258 GPRESSURE: 1069400 119.322 -138.552 -201.502 -168.809 127.44 273.582 -168.658 202.12 65.6073 PRESSAVG: 1069400 -27.9901 -38.7813 -8.84702 -38.7812 61.7125 6.28161 -8.84706 6.28162 -27.2628 GPRESSAVG: 1069400 -28.6005 -40.2146 -10.5184 -39.08 62.645 5.41878 -7.21088 8.90827 -27.4925 TIMING: 1069400 CPU: 3368.22, 0.00315359/step Wall: 3368.22, 0.00315359/step, 3.4432 hours remaining, 237.558594 MB of memory in use. ENERGY: 1069400 4012.4072 20389.8106 14486.5283 256.1408 -203497.1730 2690.1688 0.0000 0.0000 52188.1508 -109473.9665 299.9260 -161662.1172 -109102.9231 299.3165 79.4789 104.1230 761238.9026 2.1532 2.1840 PRESSURE: 1069600 -366.4 102.763 247.724 102.764 -241.307 -26.846 247.723 -26.8463 -5.44681 GPRESSURE: 1069600 -343.713 134.337 212.716 98.1063 -200.829 -46.3281 252.039 33.1207 21.1338 PRESSAVG: 1069600 -51.3385 -16.603 36.0079 -16.603 12.2445 56.0985 36.0079 56.0986 3.10224 GPRESSAVG: 1069600 -50.4608 -14.9034 38.0936 -17.2718 11.2228 55.3439 34.1097 55.8553 3.43748 TIMING: 1069600 CPU: 3368.85, 0.00315426/step Wall: 3368.85, 0.00315426/step, 3.44375 hours remaining, 237.558594 MB of memory in use. ENERGY: 1069600 4041.4288 20486.6131 14482.6889 238.0421 -203112.1530 2369.5636 0.0000 0.0000 52199.3101 -109294.5064 299.9902 -161493.8165 -108932.2062 299.6723 -204.3848 -174.4695 761895.9124 -11.9973 -11.9335 PRESSURE: 1069800 -209.407 28.6768 -208.481 28.6756 164.695 -94.0614 -208.481 -94.0614 157.121 GPRESSURE: 1069800 -149.373 77.266 -228.361 92.539 161.333 11.246 -93.2106 -206.425 189.117 PRESSAVG: 1069800 16.7209 -17.4952 -18.9566 -17.4952 -26.7344 -5.96765 -18.9565 -5.96763 -5.27594 GPRESSAVG: 1069800 16.1556 -17.4548 -19.8802 -16.2756 -26.2904 -6.40727 -18.42 -8.69701 -4.78346 TIMING: 1069800 CPU: 3369.48, 0.00315569/step Wall: 3369.48, 0.00315569/step, 3.44514 hours remaining, 237.558594 MB of memory in use. ENERGY: 1069800 3998.6506 20447.8950 14427.6183 233.0665 -203554.7858 2864.4560 0.0000 0.0000 52166.6357 -109416.4637 299.8024 -161583.0994 -109049.1376 300.0826 37.4695 67.0253 760200.6765 -5.0965 -4.9728 PRESSURE: 1070000 70.3971 -51.4402 -284.527 -51.4417 157.839 126.882 -284.527 126.881 233.598 GPRESSURE: 1070000 75.139 188.08 -181.688 -92.4379 249.8 42.1707 -223.645 216.885 226.842 PRESSAVG: 1070000 11.5614 -37.7351 -13.4368 -37.7351 -20.5459 27.6472 -13.4369 27.6472 20.6214 GPRESSAVG: 1070000 12.7939 -37.9869 -14.525 -38.8449 -19.417 27.5003 -12.6255 32.0806 19.0538 TIMING: 1070000 CPU: 3370.11, 0.00314383/step Wall: 3370.11, 0.00314383/step, 3.43202 hours remaining, 237.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1070000 3986.6808 20568.4697 14387.8025 243.9098 -203423.0882 2739.9398 0.0000 0.0000 52132.6067 -109363.6789 299.6068 -161496.2856 -109008.4436 299.1617 153.9447 183.9269 761597.4054 3.8789 4.1436 PRESSURE: 1070200 2.49492 134.878 209.663 134.878 -63.5472 49.6907 209.662 49.6895 -196.508 GPRESSURE: 1070200 -1.53506 28.8145 254.663 46.8084 -26.9338 -7.62055 75.4068 -22.7615 -152.279 PRESSAVG: 1070200 -17.7714 22.6727 6.03072 22.6728 -26.077 -26.4563 6.03075 -26.4563 -6.14585 GPRESSAVG: 1070200 -19.4487 23.1917 5.58125 21.2187 -25.8058 -24.2022 6.63676 -28.7631 -4.80072 TIMING: 1070200 CPU: 3370.74, 0.0031551/step Wall: 3370.74, 0.0031551/step, 3.44415 hours remaining, 237.558594 MB of memory in use. ENERGY: 1070200 4080.5479 20589.1832 14445.7500 244.6292 -203425.8994 2624.2629 0.0000 0.0000 52146.8869 -109294.6394 299.6889 -161441.5263 -108937.0495 299.7559 -85.8533 -60.2493 761081.9393 -16.6647 -16.6851 PRESSURE: 1070400 -354.846 241.62 -15.6832 241.62 -277.635 -42.5679 -15.6833 -42.5674 299.915 GPRESSURE: 1070400 -249.405 190.759 51.0885 193.659 -271.599 94.1522 -4.49077 -77.4241 272.26 PRESSAVG: 1070400 -31.4251 31.0536 33.7108 31.0536 8.98938 10.5635 33.7107 10.5636 5.02567 GPRESSAVG: 1070400 -28.8854 30.1022 36.038 32.1925 6.45992 9.99365 32.4812 10.5771 5.31143 TIMING: 1070400 CPU: 3371.38, 0.00316808/step Wall: 3371.38, 0.00316808/step, 3.45814 hours remaining, 237.558594 MB of memory in use. ENERGY: 1070400 3980.9523 20534.9971 14463.0072 269.4845 -203109.0836 2518.6740 0.0000 0.0000 52103.5529 -109238.4155 299.4398 -161341.9684 -108874.8677 299.7948 -110.8554 -82.9150 762206.1917 -5.8033 -5.7047 PRESSURE: 1070600 -507.02 -92.917 -161.171 -92.9167 -105.026 -55.384 -161.17 -55.3846 218.319 GPRESSURE: 1070600 -480.109 -41.6441 -210.148 -99.7672 -125.121 11.9151 -177.578 -74.3735 275.674 PRESSAVG: 1070600 -55.8743 37.7117 2.49167 37.7118 15.1349 10.0055 2.49171 10.0056 -15.5252 GPRESSAVG: 1070600 -56.7646 38.6299 2.13434 35.9511 16.84 8.06417 2.08372 11.1201 -15.6615 TIMING: 1070600 CPU: 3372.01, 0.00315231/step Wall: 3372.01, 0.00315231/step, 3.44074 hours remaining, 237.558594 MB of memory in use. ENERGY: 1070600 4021.0874 20718.5581 14503.1580 256.7699 -203731.7312 2835.2358 0.0000 0.0000 52209.4938 -109187.4282 300.0487 -161396.9221 -108848.7517 299.4832 -131.2421 -109.8517 762745.6028 -18.7549 -18.5287 PRESSURE: 1070800 0.489188 37.3451 -105.392 37.3441 -34.3062 -183.551 -105.391 -183.55 66.6244 GPRESSURE: 1070800 -11.2607 76.3032 -79.4163 45.6913 36.7725 -275.955 -73.0974 -93.242 87.8131 PRESSAVG: 1070800 25.2958 32.6482 30.2146 32.6482 22.0778 -28.5194 30.2147 -28.5193 2.32133 GPRESSAVG: 1070800 25.7661 31.6461 28.6243 35.1995 21.9015 -26.9737 31.4914 -29.4245 1.89726 TIMING: 1070800 CPU: 3372.64, 0.00316396/step Wall: 3372.64, 0.00316396/step, 3.45328 hours remaining, 237.558594 MB of memory in use. ENERGY: 1070800 3978.1440 20455.5476 14478.7632 247.8450 -202889.9568 2603.5811 0.0000 0.0000 51999.0636 -109127.0124 298.8393 -161126.0760 -108755.4110 299.1742 10.9358 37.7750 763052.4417 16.5650 16.5216 PRESSURE: 1071000 105.968 156.93 -77.2193 156.93 2.6091 73.5999 -77.2192 73.5996 -346.216 GPRESSURE: 1071000 161.106 90.3164 -113.815 72.3919 -2.78046 17.5246 -77.0342 47.9482 -313.025 PRESSAVG: 1071000 22.8708 -35.6851 74.7547 -35.6851 25.5343 -15.2919 74.7547 -15.292 -10.9087 GPRESSAVG: 1071000 23.1804 -33.7334 74.9726 -35.8313 24.8964 -15.2528 75.2054 -15.8682 -11.0426 TIMING: 1071000 CPU: 3373.26, 0.00312642/step Wall: 3373.26, 0.00312642/step, 3.41214 hours remaining, 237.558594 MB of memory in use. ENERGY: 1071000 4027.4796 20515.8400 14445.4405 256.0520 -203143.8834 2551.2287 0.0000 0.0000 52172.1452 -109175.6975 299.8340 -161347.8427 -108812.6341 299.6977 -79.2130 -51.5666 762298.6872 12.4988 12.3447 PRESSURE: 1071200 -262.92 -96.1378 -183.655 -96.1384 -101.328 25.3471 -183.656 25.347 -215.198 GPRESSURE: 1071200 -231.817 -102.403 -192.726 -108.776 -86.5353 -11.1436 -107.448 185.595 -187.939 PRESSAVG: 1071200 -31.7803 -15.7965 -15.1674 -15.7966 10.5785 38.2171 -15.1674 38.217 25.1476 GPRESSAVG: 1071200 -31.6954 -16.5516 -16.1039 -14.2033 9.75783 37.2547 -14.2177 39.4861 25.7637 TIMING: 1071200 CPU: 3373.89, 0.00313856/step Wall: 3373.89, 0.00313856/step, 3.42522 hours remaining, 237.566406 MB of memory in use. ENERGY: 1071200 3996.1222 20501.8603 14366.6838 236.5141 -203373.8440 2616.0764 0.0000 0.0000 52349.0248 -109307.5625 300.8506 -161656.5873 -108949.2232 299.5425 -193.1490 -168.7635 762087.9973 1.3153 1.2754 PRESSURE: 1071400 -350.061 -87.2412 69.8804 -87.2402 -86.9916 -154.687 69.8801 -154.686 301.503 GPRESSURE: 1071400 -267.118 -79.0526 100.856 -93.529 -138.364 -277.779 -44.1666 -139.784 339.653 PRESSAVG: 1071400 50.4589 54.0516 -12.826 54.0516 15.9818 4.30449 -12.826 4.30448 4.24028 GPRESSAVG: 1071400 49.8826 54.8624 -11.7879 53.1382 16.4309 4.46974 -14.8385 3.22592 4.09967 TIMING: 1071400 CPU: 3374.52, 0.00314934/step Wall: 3374.52, 0.00314934/step, 3.4368 hours remaining, 237.574219 MB of memory in use. ENERGY: 1071400 3976.1074 20451.9345 14511.9732 253.2683 -203320.6036 2673.2823 0.0000 0.0000 52163.8932 -109290.1448 299.7866 -161454.0379 -108923.4639 299.7497 -45.1829 -21.9431 761934.0242 23.5603 23.4710 PRESSURE: 1071600 70.073 148.389 13.9013 148.389 -198.974 -94.4407 13.9003 -94.4402 -356.038 GPRESSURE: 1071600 131.6 170.839 60.0756 187.541 -162.635 -168.035 -38.3792 -21.2911 -351.857 PRESSAVG: 1071600 -14.7798 17.0268 -26.2201 17.0268 -3.67654 -50.7428 -26.2201 -50.7428 8.75092 GPRESSAVG: 1071600 -14.1528 16.4826 -25.5824 14.6381 -4.21569 -49.5248 -24.1285 -48.6822 8.64118 TIMING: 1071600 CPU: 3375.15, 0.00313646/step Wall: 3375.15, 0.00313646/step, 3.42257 hours remaining, 237.578125 MB of memory in use. ENERGY: 1071600 3980.2969 20489.3973 14429.2446 240.9837 -203020.2565 2614.5462 0.0000 0.0000 51959.6373 -109306.1505 298.6127 -161265.7878 -108948.1165 299.0260 -161.6464 -127.6306 762576.9126 -3.2351 -3.2425 PRESSURE: 1071800 -61.4058 270.975 95.4977 270.975 88.0727 65.4158 95.4969 65.4146 114.939 GPRESSURE: 1071800 -43.1855 277.878 97.009 116.414 77.4869 63.0835 108.093 63.2061 186.79 PRESSAVG: 1071800 -10.1867 8.09077 -19.9317 8.09074 -0.966297 6.48701 -19.9316 6.487 5.26576 GPRESSAVG: 1071800 -10.4179 7.24242 -21.8124 9.00028 -1.65838 5.34318 -20.7326 5.60271 6.06023 TIMING: 1071800 CPU: 3375.78, 0.00313546/step Wall: 3375.78, 0.00313546/step, 3.42131 hours remaining, 237.578125 MB of memory in use. ENERGY: 1071800 3937.1807 20533.0107 14498.1747 235.8926 -203216.8491 2832.1816 0.0000 0.0000 52094.1455 -109086.2634 299.3858 -161180.4089 -108735.7038 299.2996 47.2020 73.6973 763654.9517 -1.9624 -2.0053 PRESSURE: 1072000 -41.044 -81.7834 -135.642 -81.7835 -59.4063 -61.2304 -135.642 -61.2307 221.573 GPRESSURE: 1072000 5.90039 14.191 -126.152 -42.1534 -73.7218 -32.768 -167.204 -8.58471 271.634 PRESSAVG: 1072000 37.9393 -73.4005 -24.332 -73.4005 -20.8433 30.6819 -24.332 30.6818 10.1386 GPRESSAVG: 1072000 37.1539 -72.958 -23.5795 -72.3731 -18.3062 31.0573 -23.7382 31.8369 8.53232 TIMING: 1072000 CPU: 3376.41, 0.00315142/step Wall: 3376.41, 0.00315143/step, 3.43855 hours remaining, 237.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1072000 3894.0005 20394.2158 14437.7741 255.2167 -202508.0073 2039.6470 0.0000 0.0000 52222.3356 -109264.8176 300.1225 -161487.1533 -108899.6679 299.3514 40.3743 67.9377 763561.7597 9.0782 9.1267 PRESSURE: 1072200 111.248 -18.6201 -13.0005 -18.6193 -63.0298 209.529 -13.0003 209.529 666.269 GPRESSURE: 1072200 153.927 19.2646 47.8431 -6.94688 -13.7933 160.726 12.0069 225.336 654.943 PRESSAVG: 1072200 42.9453 -54.0076 -40.6859 -54.0076 20.6693 21.6812 -40.6859 21.6812 5.07299 GPRESSAVG: 1072200 42.1272 -51.72 -40.4398 -55.2761 20.2635 23.0822 -41.1752 21.1118 5.86421 TIMING: 1072200 CPU: 3377.04, 0.00317135/step Wall: 3377.04, 0.00317135/step, 3.46011 hours remaining, 237.578125 MB of memory in use. ENERGY: 1072200 4006.0498 20415.9606 14488.5075 247.7074 -203116.4962 2794.4701 0.0000 0.0000 51919.5780 -109244.2228 298.3825 -161163.8007 -108885.9227 299.4360 238.1622 265.0254 761780.0498 22.8959 22.7516 LDB: ============= START OF LOAD BALANCING ============== 3389.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3389.44 LDB: =============== DONE WITH MIGRATION ================ 3389.44 LDB: ============= START OF LOAD BALANCING ============== 3389.76 LDB: Largest compute 7077 load 0.033367 is 17.0% of average load 0.195902 LDB: Average compute 0.004391 is 2.2% of average load 0.195902 LDB: TIME 3389.76 LOAD: AVG 0.195902 MAX 0.214607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.031 MB LDB: TIME 3389.76 LOAD: AVG 0.195902 MAX 0.214607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.031 MB LDB: TIME 3389.76 LOAD: AVG 0.195902 MAX 0.214607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.031 MB LDB: ============== END OF LOAD BALANCING =============== 3389.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3389.77 PRESSURE: 1072400 -345.415 -100.84 -38.4258 -100.84 75.1896 65.0341 -38.4253 65.0348 -11.3752 GPRESSURE: 1072400 -214.017 -0.824037 -127.321 -75.2071 55.8395 82.4351 -80.3983 25.8219 -39.3567 PRESSAVG: 1072400 -32.6985 6.10397 5.96557 6.10394 -0.104334 53.6299 5.96561 53.6299 17.7867 GPRESSAVG: 1072400 -30.6169 6.5942 5.17547 6.03806 -0.586805 52.8951 6.85361 50.3903 17.0258 TIMING: 1072400 CPU: 3377.68, 0.00321473/step Wall: 3377.68, 0.00321473/step, 3.50727 hours remaining, 237.312500 MB of memory in use. ENERGY: 1072400 3993.4787 20590.6532 14488.3612 241.5788 -203184.2670 2865.7589 0.0000 0.0000 51988.4509 -109015.9853 298.7783 -161004.4362 -108663.1998 299.4557 -93.8667 -65.8447 763104.7481 -5.0054 -4.7260 PRESSURE: 1072600 176.571 -26.4183 -59.0234 -26.4194 371.938 50.5213 -59.0238 50.5212 -180.599 GPRESSURE: 1072600 185.802 28.9441 33.8577 49.5273 330.525 22.3177 -94.7709 36.4274 -80.764 PRESSAVG: 1072600 34.0954 -3.43226 -5.03937 -3.43223 -3.0928 13.3885 -5.03934 13.3884 -11.1758 GPRESSAVG: 1072600 33.9497 -4.49886 -5.12049 -2.64427 -3.44908 11.8737 -5.83196 16.0072 -10.9785 TIMING: 1072600 CPU: 3378.32, 0.00316421/step Wall: 3378.32, 0.00316421/step, 3.45198 hours remaining, 237.312500 MB of memory in use. ENERGY: 1072600 3941.5692 20563.1948 14420.1319 230.2973 -203263.1439 2693.8620 0.0000 0.0000 52310.4638 -109103.6248 300.6290 -161414.0886 -108741.1408 299.3830 122.6367 145.1879 761354.3698 6.6089 6.5074 PRESSURE: 1072800 -154.119 139.791 -137.764 139.792 97.0843 -322.743 -137.765 -322.743 162.597 GPRESSURE: 1072800 -122.008 232.321 -238.094 6.03512 183.992 -366.256 -85.3587 -222.187 140.682 PRESSAVG: 1072800 -11.3416 19.8151 -13.2028 19.8152 -17.3331 2.09104 -13.2028 2.09107 -3.11174 GPRESSAVG: 1072800 -11.7482 18.4127 -13.1165 20.0068 -16.9671 2.22992 -10.0639 4.18781 -3.23019 TIMING: 1072800 CPU: 3378.95, 0.00315567/step Wall: 3378.95, 0.00315567/step, 3.44249 hours remaining, 237.382812 MB of memory in use. ENERGY: 1072800 4060.5915 20581.2687 14373.8211 251.8458 -203092.5250 2489.3260 0.0000 0.0000 52292.6921 -109042.9798 300.5268 -161335.6719 -108684.0901 299.5991 35.1877 67.5553 762341.8775 -10.5955 -10.6485 PRESSURE: 1073000 -21.0722 -3.05531 135.502 -3.0557 168.748 -99.0763 135.501 -99.0765 175.982 GPRESSURE: 1073000 16.6923 5.02413 133.034 38.0185 189.882 -115.909 262.931 -107.57 215.433 PRESSAVG: 1073000 40.027 20.2203 40.9109 20.2203 -14.5933 23.7717 40.9109 23.7717 0.370979 GPRESSAVG: 1073000 40.1375 20.7809 42.7143 18.5029 -15.3995 24.9276 37.6571 21.8398 0.769683 TIMING: 1073000 CPU: 3379.58, 0.00316382/step Wall: 3379.58, 0.00316382/step, 3.4512 hours remaining, 237.382812 MB of memory in use. ENERGY: 1073000 3927.6404 20345.4711 14485.9277 267.1918 -203197.4383 2647.4756 0.0000 0.0000 52266.4003 -109257.3313 300.3757 -161523.7316 -108885.1638 299.9517 107.8860 140.6690 761180.1461 8.6016 8.5026 PRESSURE: 1073200 -107.722 158.182 7.77265 158.181 108.79 -84.783 7.77171 -84.7825 -357.614 GPRESSURE: 1073200 -74.3706 129.079 101.026 248.225 125.45 -105.171 -23.9165 -145.647 -337.69 PRESSAVG: 1073200 -21.7195 -3.93394 30.3033 -3.93395 2.90819 25.1765 30.3034 25.1765 -16.1936 GPRESSAVG: 1073200 -23.2965 -4.31261 29.9534 -2.14284 4.16707 25.5477 29.3197 24.2731 -16.0152 TIMING: 1073200 CPU: 3380.21, 0.00315904/step Wall: 3380.21, 0.00315904/step, 3.44581 hours remaining, 237.394531 MB of memory in use. ENERGY: 1073200 3976.5037 20576.0269 14396.8536 248.0471 -203084.2896 2370.9377 0.0000 0.0000 52178.8269 -109337.0937 299.8724 -161515.9207 -108966.4492 299.4132 -118.8484 -95.5369 762153.7614 -11.6683 -11.7149 PRESSURE: 1073400 -141.359 139.358 -443.748 139.358 -69.1002 61.2093 -443.748 61.2095 128.691 GPRESSURE: 1073400 -122.425 165.395 -398.37 37.0926 38.8688 64.6686 -310.751 186.044 95.0687 PRESSAVG: 1073400 21.4638 6.83773 25.4954 6.83775 1.61663 71.0467 25.4954 71.0467 6.29403 GPRESSAVG: 1073400 22.11 5.80676 23.0492 5.17699 0.939998 71.1001 26.7123 70.5551 6.1515 TIMING: 1073400 CPU: 3380.84, 0.00315857/step Wall: 3380.84, 0.00315857/step, 3.44512 hours remaining, 237.394531 MB of memory in use. ENERGY: 1073400 3903.8218 20407.6633 14422.8202 245.7015 -203007.2571 2627.0105 0.0000 0.0000 52085.2269 -109315.0128 299.3345 -161400.2398 -108943.8441 298.9199 -27.2562 3.8376 762490.3599 9.7915 9.7338 PRESSURE: 1073600 -353.45 90.4069 -13.5699 90.4069 -19.0395 -6.47122 -13.5704 -6.47225 274.879 GPRESSURE: 1073600 -257.258 107.494 5.98875 -20.5562 26.3388 16.1736 -46.7421 -20.5776 223.62 PRESSAVG: 1073600 -60.353 14.7952 -37.1989 14.7952 57.5878 -5.41761 -37.1988 -5.41757 6.09079 GPRESSAVG: 1073600 -60.3061 16.8914 -34.9667 14.7294 58.2924 -6.17272 -37.5251 -2.86093 5.73105 TIMING: 1073600 CPU: 3381.48, 0.00316179/step Wall: 3381.48, 0.00316179/step, 3.44846 hours remaining, 237.394531 MB of memory in use. ENERGY: 1073600 3990.3265 20290.8996 14389.8619 254.8553 -203291.0141 2826.1937 0.0000 0.0000 52214.0078 -109324.8694 300.0746 -161538.8772 -108959.7117 299.3648 -32.5368 -2.4330 762404.3952 1.1085 1.2391 PRESSURE: 1073800 -40.9719 178.065 -73.1282 178.065 -264.134 -25.511 -73.1286 -25.5107 -383.688 GPRESSURE: 1073800 -2.56408 110.749 -143.682 121.903 -204.031 -95.9845 -20.2472 5.93976 -396.586 PRESSAVG: 1073800 -33.445 21.5959 -25.9845 21.5959 -4.10241 -10.3591 -25.9845 -10.3591 18.6372 GPRESSAVG: 1073800 -33.2965 21.1694 -25.9221 21.2422 -2.72714 -11.4895 -27.2854 -10.9859 17.8808 TIMING: 1073800 CPU: 3382.11, 0.00316821/step Wall: 3382.11, 0.00316821/step, 3.45529 hours remaining, 237.394531 MB of memory in use. ENERGY: 1073800 4004.4851 20521.2190 14391.0797 242.7458 -203195.6240 2608.8474 0.0000 0.0000 51979.4467 -109447.8003 298.7266 -161427.2470 -109082.9870 299.1173 -229.5979 -201.0603 762651.4087 -6.3034 -6.0476 PRESSURE: 1074000 35.0739 289.618 38.2853 289.617 -153.465 154.48 38.2852 154.479 -156.841 GPRESSURE: 1074000 38.5344 184.166 37.0217 243.091 -47.6204 230.951 11.886 -6.54242 -194.792 PRESSAVG: 1074000 26.8524 55.2782 36.793 55.2783 5.51448 24.1731 36.7929 24.1731 3.52726 GPRESSAVG: 1074000 25.8554 53.8509 36.6152 55.8834 5.0955 25.9775 38.424 25.157 4.92976 TIMING: 1074000 CPU: 3382.75, 0.00317537/step Wall: 3382.75, 0.00317537/step, 3.46292 hours remaining, 237.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1074000 4033.9038 20403.1902 14406.9298 263.7318 -203345.8620 2703.1163 0.0000 0.0000 52194.9017 -109340.0884 299.9648 -161534.9901 -108960.9931 299.5484 -91.7440 -67.9594 762810.9473 11.9647 11.9602 PRESSURE: 1074200 -192.3 106.076 -119.469 106.077 257.366 -146.225 -119.469 -146.225 208.895 GPRESSURE: 1074200 -81.5717 84.7061 -153.687 180.26 228.054 -171.159 -37.502 -108.546 219.391 PRESSAVG: 1074200 64.0815 13.7464 -6.15581 13.7463 -54.2601 -26.7611 -6.15589 -26.7611 -8.90693 GPRESSAVG: 1074200 67.1095 13.203 -7.91672 14.3399 -55.162 -25.8946 -5.92326 -29.512 -11.0529 TIMING: 1074200 CPU: 3383.38, 0.00316067/step Wall: 3383.38, 0.00316067/step, 3.44671 hours remaining, 237.597656 MB of memory in use. ENERGY: 1074200 3985.9044 20639.5551 14342.2184 226.0084 -203308.1090 2658.8244 0.0000 0.0000 51913.6921 -109541.9063 298.3487 -161455.5983 -109191.0519 298.6865 91.3202 121.9577 761594.9847 0.3048 0.2982 PRESSURE: 1074400 146.169 32.2643 -37.3356 32.2642 31.0046 32.6469 -37.335 32.6477 210.398 GPRESSURE: 1074400 78.6742 -41.1193 8.28535 -70.0689 101.312 -33.1809 22.1216 38.6686 288.345 PRESSAVG: 1074400 54.684 -33.0792 -50.8533 -33.0792 -40.5718 -11.9275 -50.8534 -11.9276 -12.2899 GPRESSAVG: 1074400 52.2615 -30.6966 -48.1385 -33.2537 -40.1331 -12.2312 -52.416 -12.3949 -10.2093 TIMING: 1074400 CPU: 3384.01, 0.00314848/step Wall: 3384.01, 0.00314848/step, 3.43325 hours remaining, 237.597656 MB of memory in use. ENERGY: 1074400 4021.6074 20442.0774 14391.7642 255.5254 -203490.6986 2742.9676 0.0000 0.0000 51721.8511 -109914.9054 297.2462 -161636.7565 -109557.6831 298.4502 129.1906 156.1101 763422.7446 0.6074 0.6397 PRESSURE: 1074600 -32.0158 -289.339 129.555 -289.339 158.439 -132.277 129.554 -132.278 3.06343 GPRESSURE: 1074600 18.0593 -266.577 174.271 -297.679 227.089 -56.5068 50.6317 -0.351294 -45.4947 PRESSAVG: 1074600 41.1767 10.8939 -13.4879 10.8939 -36.7036 -21.7798 -13.4879 -21.7799 -5.48074 GPRESSAVG: 1074600 42.5126 9.01009 -14.7053 10.2901 -36.4293 -21.6728 -11.3283 -20.6337 -6.99175 TIMING: 1074600 CPU: 3384.64, 0.00315108/step Wall: 3384.64, 0.00315108/step, 3.4359 hours remaining, 237.597656 MB of memory in use. ENERGY: 1074600 3922.5015 20356.0937 14474.9868 249.4007 -203699.3813 2831.7042 0.0000 0.0000 52172.8204 -109691.8741 299.8379 -161864.6945 -109327.1420 298.6018 43.1621 66.5513 762104.3701 -0.3359 -0.3028 PRESSURE: 1074800 258.019 -75.2863 -117.341 -75.2866 171.663 205.493 -117.341 205.493 -256.955 GPRESSURE: 1074800 187.017 -55.4897 -4.90106 -97.414 218.938 187.604 -124.735 166.801 -162.811 PRESSAVG: 1074800 -37.6669 -3.76727 -58.1289 -3.76723 21.1438 -26.864 -58.1289 -26.8641 -8.11199 GPRESSAVG: 1074800 -38.658 -3.75522 -57.7254 -3.4691 21.6338 -27.1997 -60.5343 -25.3643 -7.62125 TIMING: 1074800 CPU: 3385.27, 0.00317003/step Wall: 3385.27, 0.00317003/step, 3.45639 hours remaining, 237.605469 MB of memory in use. ENERGY: 1074800 3988.0943 20570.2133 14483.5875 246.9401 -203524.9165 2487.6283 0.0000 0.0000 52025.2673 -109723.1858 298.9899 -161748.4531 -109357.6222 298.7109 57.5757 81.0477 761885.3842 -8.2117 -8.2151 PRESSURE: 1075000 301.186 -15.1573 -186.261 -15.1575 73.1774 -213.913 -186.262 -213.913 -5.74927 GPRESSURE: 1075000 233.561 -38.8329 -177.638 -20.5939 169.405 -163.959 -208.639 -104.253 48.9154 PRESSAVG: 1075000 56.2891 34.7984 3.36056 34.7985 -42.6837 11.7881 3.36062 11.788 -2.17896 GPRESSAVG: 1075000 55.0347 33.629 2.40131 36.7371 -42.9748 11.8906 5.06856 9.77328 -0.54657 TIMING: 1075000 CPU: 3385.9, 0.00315642/step Wall: 3385.9, 0.00315642/step, 3.44138 hours remaining, 237.789062 MB of memory in use. ENERGY: 1075000 3902.5084 20458.2967 14514.7626 236.7229 -204274.0466 3204.2613 0.0000 0.0000 52022.9574 -109934.5373 298.9767 -161957.4947 -109575.6239 298.3517 122.8712 150.6271 761607.0926 3.8088 3.8378 PRESSURE: 1075200 210.03 -48.6687 -17.9532 -48.6697 360.849 37.9059 -17.9548 37.9055 127.707 GPRESSURE: 1075200 270.422 -106.184 115.84 -115.765 355.269 46.9496 -118.386 -84.3068 153.812 PRESSAVG: 1075200 -21.8615 28.2813 -6.66953 28.2813 30.9816 38.6144 -6.66957 38.6144 -7.18628 GPRESSAVG: 1075200 -20.966 29.478 -4.81686 26.0594 30.8303 38.3898 -9.87719 38.4515 -7.61622 TIMING: 1075200 CPU: 3386.53, 0.00315373/step Wall: 3386.53, 0.00315373/step, 3.43826 hours remaining, 237.820312 MB of memory in use. ENERGY: 1075200 4015.0293 20634.2092 14355.5322 243.7615 -204059.1594 3219.6087 0.0000 0.0000 52000.3352 -109590.6834 298.8466 -161591.0186 -109229.4634 298.4018 232.8622 259.8342 762491.2189 0.6446 0.7494 PRESSURE: 1075400 -88.1809 -138.537 -117.432 -138.537 157.489 -69.5854 -117.432 -69.5851 167.896 GPRESSURE: 1075400 -101.363 -161.415 -61.5865 -36.1324 201.965 34.7944 -74.1606 -59.7032 194.271 PRESSAVG: 1075400 -11.9968 20.752 -56.4345 20.752 24.3003 -8.92314 -56.4345 -8.92317 21.7896 GPRESSAVG: 1075400 -10.8714 20.6989 -57.4507 20.488 24.6666 -7.69711 -53.7484 -9.69361 20.2504 TIMING: 1075400 CPU: 3387.16, 0.00314535/step Wall: 3387.16, 0.00314535/step, 3.42896 hours remaining, 237.808594 MB of memory in use. ENERGY: 1075400 4001.8144 20555.8968 14486.3567 262.6789 -203697.7344 2754.5946 0.0000 0.0000 52155.3965 -109480.9965 299.7378 -161636.3930 -109123.2969 298.9202 79.0680 98.2907 761269.1687 11.3644 11.3485 PRESSURE: 1075600 -132.232 158.707 288.346 158.708 143.372 62.7201 288.346 62.7206 -136.02 GPRESSURE: 1075600 -118.376 214.719 280.973 113.565 190.243 -21.19 224.315 146.32 -111.293 PRESSAVG: 1075600 -14.297 13.7843 -32.2603 13.7843 2.33959 24.8952 -32.2603 24.8951 -8.1318 GPRESSAVG: 1075600 -14.4053 13.3229 -32.0568 15.1132 2.57904 22.4863 -34.3244 27.9575 -7.70394 TIMING: 1075600 CPU: 3387.79, 0.00315633/step Wall: 3387.79, 0.00315633/step, 3.44075 hours remaining, 237.878906 MB of memory in use. ENERGY: 1075600 3977.9137 20502.6864 14443.8983 266.3564 -203272.1433 2628.8639 0.0000 0.0000 51856.6649 -109595.7598 298.0210 -161452.4248 -109236.6007 299.1746 -41.6267 -13.1420 762042.1244 -6.6964 -6.5101 PRESSURE: 1075800 -121.889 72.4878 2.01854 72.4885 -243.373 -43.5325 2.0179 -43.5324 -333.578 GPRESSURE: 1075800 -121.52 145.696 47.5251 82.7876 -256.916 -126.996 -31.3404 -126.513 -232.242 PRESSAVG: 1075800 -19.5564 33.0956 10.3037 33.0957 34.7916 18.3178 10.3038 18.3178 28.8629 GPRESSAVG: 1075800 -19.3183 33.6872 9.51784 32.2596 33.5645 19.9323 12.2401 17.3787 29.0244 TIMING: 1075800 CPU: 3388.42, 0.00315281/step Wall: 3388.42, 0.00315281/step, 3.43674 hours remaining, 237.878906 MB of memory in use. ENERGY: 1075800 4043.3723 20487.7000 14461.0617 245.9711 -203468.3287 2598.1010 0.0000 0.0000 52003.9515 -109628.1711 298.8674 -161632.1226 -109263.2174 298.7817 -232.9469 -203.5595 762648.7920 14.6994 14.4235 PRESSURE: 1076000 342.833 -55.3094 131.403 -55.3097 222.918 85.6721 131.402 85.6706 184.414 GPRESSURE: 1076000 384.177 -2.70479 128.496 -112.075 203.19 125.843 92.8741 51.5275 237.974 PRESSAVG: 1076000 -3.13425 27.3067 -43.1441 27.3067 -19.1342 0.45934 -43.1441 0.459326 -2.76132 GPRESSAVG: 1076000 -3.2589 26.4648 -41.5065 25.2765 -18.6397 -0.310596 -42.5549 -0.401035 -2.80994 TIMING: 1076000 CPU: 3389.06, 0.00316378/step Wall: 3389.06, 0.00316378/step, 3.44852 hours remaining, 238.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1076000 3923.1638 20559.8868 14473.0575 256.7667 -203167.5769 2603.6880 0.0000 0.0000 51834.5139 -109516.5002 297.8937 -161351.0141 -109156.3787 298.6956 250.0550 275.1134 760430.4262 -8.3433 -8.2362 PRESSURE: 1076200 313.678 67.962 -1.74032 67.9616 180.247 204.166 -1.74081 204.166 165.075 GPRESSURE: 1076200 403.559 100.707 56.6036 100.271 165.046 279.318 47.8683 234.549 164.07 PRESSAVG: 1076200 44.539 44.4336 -46.8361 44.4336 -16.6789 -33.8362 -46.8362 -33.8362 -8.40402 GPRESSAVG: 1076200 43.7625 43.4154 -48.2954 44.6798 -16.0283 -33.7943 -48.4375 -32.5655 -8.64082 TIMING: 1076200 CPU: 3389.69, 0.00314808/step Wall: 3389.69, 0.00314808/step, 3.43123 hours remaining, 238.082031 MB of memory in use. ENERGY: 1076200 3960.3384 20495.8163 14453.2035 251.9940 -203357.3610 2786.2503 0.0000 0.0000 51966.6022 -109443.1561 298.6528 -161409.7584 -109084.3274 298.6584 219.6667 244.2249 762085.2165 6.4854 6.3645 LDB: ============= START OF LOAD BALANCING ============== 3402.08 LDB: ============== END OF LOAD BALANCING =============== 3402.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3402.09 LDB: ============= START OF LOAD BALANCING ============== 3402.4 LDB: Largest compute 7077 load 0.034432 is 17.6% of average load 0.195936 LDB: Average compute 0.004387 is 2.2% of average load 0.195936 LDB: TIME 3402.41 LOAD: AVG 0.195936 MAX 0.218304 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.035 MB LDB: TIME 3402.41 LOAD: AVG 0.195936 MAX 0.218304 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.121 MB LDB: TIME 3402.41 LOAD: AVG 0.195936 MAX 0.218304 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3402.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3402.41 PRESSURE: 1076400 -307.659 85.1538 -124.558 85.1539 -220.419 -111.543 -124.558 -111.543 -138.592 GPRESSURE: 1076400 -401.161 -11.0315 -54.7748 74.2606 -94.4235 -183.933 -143.394 -123.907 -82.9412 PRESSAVG: 1076400 -29.7053 18.2801 -48.3293 18.2801 -6.55354 3.72358 -48.3293 3.72352 4.55763 GPRESSAVG: 1076400 -29.1283 18.3571 -49.8802 18.6343 -5.86677 4.39855 -45.5321 1.68668 4.18455 TIMING: 1076400 CPU: 3390.33, 0.00321871/step Wall: 3390.33, 0.00321871/step, 3.50804 hours remaining, 238.636719 MB of memory in use. ENERGY: 1076400 4026.8628 20503.4889 14477.0570 273.8890 -202964.2758 2506.0554 0.0000 0.0000 52128.9103 -109048.0124 299.5856 -161176.9227 -108687.6959 298.8689 -222.2234 -192.8417 763459.7856 -10.5671 -10.2702 PRESSURE: 1076600 -279.86 -69.7679 -22.8921 -69.7679 -109.966 -49.7745 -22.8916 -49.7738 142.154 GPRESSURE: 1076600 -143.027 -3.79642 -50.3599 -75.417 -120.064 -44.9864 -44.385 24.3104 117.445 PRESSAVG: 1076600 -11.6991 0.66499 25.0988 0.664958 43.6749 -23.0541 25.0988 -23.0541 29.9115 GPRESSAVG: 1076600 -10.2673 0.199096 26.7032 0.403596 43.1593 -22.9197 23.5544 -21.0608 28.9667 TIMING: 1076600 CPU: 3390.96, 0.00315148/step Wall: 3390.96, 0.00315148/step, 3.43458 hours remaining, 238.703125 MB of memory in use. ENERGY: 1076600 3964.7896 20401.0714 14461.2989 230.6101 -203366.2601 2911.0898 0.0000 0.0000 52303.2371 -109094.1633 300.5874 -161397.4004 -108718.9039 299.4963 -82.5573 -48.5486 763863.3711 20.6291 20.6195 PRESSURE: 1076800 331.546 -59.532 -81.2992 -59.5311 60.2028 152.543 -81.299 152.543 233.798 GPRESSURE: 1076800 399.467 105.58 34.7062 -75.1309 109.065 60.4311 -98.1458 205.563 206.853 PRESSAVG: 1076800 27.16 -33.4342 -38.0378 -33.4343 -24.9973 40.7197 -38.0378 40.7197 -1.30621 GPRESSAVG: 1076800 28.0663 -31.7819 -37.4063 -32.4518 -27.7525 40.3505 -38.1584 39.4029 0.57498 TIMING: 1076800 CPU: 3391.59, 0.00314096/step Wall: 3391.59, 0.00314096/step, 3.42295 hours remaining, 238.703125 MB of memory in use. ENERGY: 1076800 4011.3070 20383.8304 14503.9423 245.7343 -203512.3402 2919.5289 0.0000 0.0000 52305.3930 -109142.6044 300.5998 -161447.9973 -108775.1370 299.7104 208.5156 238.4615 761763.0616 0.2855 0.2963 PRESSURE: 1077000 344.908 67.2663 260.546 67.2665 263.77 68.4574 260.546 68.4568 67.0174 GPRESSURE: 1077000 421.452 110.463 253.271 44.3691 224.938 154.47 188.168 29.6307 104.589 PRESSAVG: 1077000 -7.26874 -20.4164 -5.1953 -20.4164 2.80014 109.705 -5.19527 109.705 -0.836493 GPRESSAVG: 1077000 -8.5032 -19.4079 -5.72861 -20.8415 3.54704 110.794 -4.38712 108.69 -1.18095 TIMING: 1077000 CPU: 3392.22, 0.00314515/step Wall: 3392.22, 0.00314515/step, 3.42734 hours remaining, 238.707031 MB of memory in use. ENERGY: 1077000 3923.3712 20577.6870 14513.0091 247.4783 -203498.6829 2756.1656 0.0000 0.0000 52293.7179 -109187.2537 300.5327 -161480.9717 -108826.4671 299.5686 225.2318 250.3266 760570.8288 -1.7684 -2.0457 PRESSURE: 1077200 -175.009 56.0417 152.446 56.0412 -132.451 55.7309 152.445 55.7302 -38.1958 GPRESSURE: 1077200 -97.1527 45.1037 169.97 22.4798 -187.888 211.572 120.881 67.6787 20.826 PRESSAVG: 1077200 -7.14212 48.9829 -13.8632 48.9829 42.3687 17.1326 -13.8632 17.1326 8.05012 GPRESSAVG: 1077200 -6.71475 45.9634 -13.3024 48.3489 43.3146 16.7817 -15.9048 17.5526 7.02413 TIMING: 1077200 CPU: 3392.85, 0.00315238/step Wall: 3392.85, 0.00315238/step, 3.43504 hours remaining, 238.703125 MB of memory in use. ENERGY: 1077200 4033.2433 20800.3029 14476.3129 248.8093 -203446.4408 2546.1299 0.0000 0.0000 52145.1772 -109196.4653 299.6791 -161341.6425 -108843.3225 300.0361 -115.2186 -88.0716 762178.5207 14.4256 14.5413 PRESSURE: 1077400 247.933 45.6956 -151.547 45.6955 72.0806 -63.0713 -151.545 -63.0705 117.97 GPRESSURE: 1077400 285.889 153.252 -75.7776 8.72644 87.8108 -77.8943 -245.419 80.398 134.548 PRESSAVG: 1077400 12.9514 34.8413 -40.711 34.8412 10.2383 -5.30575 -40.711 -5.30567 5.77791 GPRESSAVG: 1077400 11.9814 35.947 -43.7031 34.8874 10.5823 -6.20788 -39.6546 -3.58045 6.76883 TIMING: 1077400 CPU: 3393.48, 0.00316277/step Wall: 3393.48, 0.00316277/step, 3.44619 hours remaining, 238.773438 MB of memory in use. ENERGY: 1077400 4035.3803 20639.2070 14473.7435 241.5020 -203527.9459 2687.6772 0.0000 0.0000 52156.3260 -109294.1100 299.7431 -161450.4360 -108940.9784 299.0604 145.9946 169.4160 761864.0749 9.6559 9.7775 PRESSURE: 1077600 -78.6102 -278.55 -137.462 -278.55 -317.49 132.814 -137.463 132.814 -119.628 GPRESSURE: 1077600 -15.231 -167.561 -202.911 -301.681 -285.567 115.556 -27.8847 122.992 -126.666 PRESSAVG: 1077600 -10.3622 -33.4939 -67.839 -33.4939 16.717 47.5113 -67.839 47.5113 -23.8782 GPRESSAVG: 1077600 -9.22054 -34.5726 -66.6974 -32.3664 16.0837 47.8483 -67.6352 48.1047 -23.5191 TIMING: 1077600 CPU: 3394.11, 0.00316462/step Wall: 3394.11, 0.00316462/step, 3.44803 hours remaining, 238.777344 MB of memory in use. ENERGY: 1077600 3955.6191 20551.6566 14545.0897 246.8259 -203434.7065 2652.3397 0.0000 0.0000 52127.0715 -109356.1040 299.5750 -161483.1755 -108987.3151 299.0872 -171.9094 -142.4877 763796.3583 -5.8411 -5.5520 PRESSURE: 1077800 -145.321 75.0633 -78.1946 75.0621 -296.117 -260.541 -78.1944 -260.542 -466.357 GPRESSURE: 1077800 -171.401 -5.58857 -91.8589 -42.1014 -254.158 -256.416 -101.043 -194.331 -401.667 PRESSAVG: 1077800 -46.1076 -34.6946 -5.89979 -34.6946 -7.72093 13.2774 -5.8997 13.2774 2.23959 GPRESSAVG: 1077800 -46.5659 -32.7943 -6.46652 -36.7142 -7.20015 12.895 -6.34626 13.1268 2.26064 TIMING: 1077800 CPU: 3394.75, 0.00315832/step Wall: 3394.75, 0.00315832/step, 3.44099 hours remaining, 238.832031 MB of memory in use. ENERGY: 1077800 4008.7662 20540.2299 14455.6558 246.0892 -202957.8723 2373.2664 0.0000 0.0000 51950.7835 -109383.0812 298.5619 -161333.8646 -109017.3840 299.3901 -302.5983 -275.7417 764627.7530 -17.1963 -17.1685 PRESSURE: 1078000 -15.9849 4.41316 15.1508 4.41302 -243.702 -136.953 15.1511 -136.953 -479.686 GPRESSURE: 1078000 37.3735 -42.7059 14.5724 -61.1038 -185.76 -167.55 -28.1667 -180.406 -477.174 PRESSAVG: 1078000 20.1373 -30.1213 -10.0446 -30.1213 2.12461 -16.1619 -10.0445 -16.1618 42.0966 GPRESSAVG: 1078000 20.9891 -29.5171 -9.80997 -30.4941 2.86035 -15.9193 -9.86469 -18.5959 40.818 TIMING: 1078000 CPU: 3395.38, 0.003162/step Wall: 3395.38, 0.00316201/step, 3.44483 hours remaining, 238.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1078000 4035.7380 20414.0771 14459.6387 248.7793 -203300.0121 2524.0593 0.0000 0.0000 52117.4418 -109500.2779 299.5197 -161617.7197 -109137.0095 299.0360 -246.4576 -208.5201 761660.7691 21.4528 21.5558 PRESSURE: 1078200 -206.627 -69.9622 25.6122 -69.9626 29.9464 -65.1837 25.6123 -65.1833 -116.259 GPRESSURE: 1078200 -260.663 -32.0375 43.1847 21.9506 163.408 31.3628 -42.1169 -85.1721 -102.027 PRESSAVG: 1078200 -61.0578 13.0856 35.9482 13.0855 11.9072 2.16615 35.9482 2.16615 1.03957 GPRESSAVG: 1078200 -61.3472 11.4055 36.2833 16.3225 11.8537 2.6782 36.7183 0.786451 1.94062 TIMING: 1078200 CPU: 3396.01, 0.00316683/step Wall: 3396.01, 0.00316683/step, 3.44991 hours remaining, 238.750000 MB of memory in use. ENERGY: 1078200 3918.6968 20406.1694 14400.8930 246.3567 -203026.9678 2683.4129 0.0000 0.0000 51967.0407 -109404.3983 298.6553 -161371.4390 -109041.2303 298.8567 -97.6464 -66.4272 762838.7883 -16.0370 -15.8510 PRESSURE: 1078400 41.8083 -37.7664 -192.851 -37.7658 219.792 8.52682 -192.851 8.52699 -451.883 GPRESSURE: 1078400 48.4489 20.7778 -114.594 -3.61927 281.613 43.9195 -90.5967 34.7057 -425.928 PRESSAVG: 1078400 43.6547 -28.7844 43.5956 -28.7844 -45.4569 -44.8394 43.5956 -44.8394 -5.63583 GPRESSAVG: 1078400 44.3404 -28.4611 43.9464 -29.4843 -45.3712 -46.2532 42.5501 -40.2823 -5.95036 TIMING: 1078400 CPU: 3396.64, 0.00314224/step Wall: 3396.64, 0.00314224/step, 3.42294 hours remaining, 238.750000 MB of memory in use. ENERGY: 1078400 3969.4464 20589.3073 14505.8409 258.3766 -203198.3808 2603.7804 0.0000 0.0000 51952.8081 -109318.8211 298.5735 -161271.6292 -108957.5596 298.8761 -63.4277 -31.9553 760751.4123 -2.4793 -2.3271 PRESSURE: 1078600 -215.599 161.425 100.624 161.426 139.968 -75.93 100.625 -75.9292 239.727 GPRESSURE: 1078600 -130.141 89.3552 82.3436 75.5742 145.051 -119.252 7.9766 -148.151 208.006 PRESSAVG: 1078600 20.5692 -35.1767 56.5993 -35.1767 -54.7136 -25.2305 56.5993 -25.2305 9.96148 GPRESSAVG: 1078600 19.3359 -34.9526 55.1079 -33.5939 -54.0528 -25.3631 57.0673 -27.1622 10.4536 TIMING: 1078600 CPU: 3397.27, 0.00314136/step Wall: 3397.27, 0.00314136/step, 3.42181 hours remaining, 238.750000 MB of memory in use. ENERGY: 1078600 4014.9210 20531.9745 14543.3875 243.1031 -203371.6497 2985.0179 0.0000 0.0000 51912.6551 -109140.5905 298.3427 -161053.2456 -108771.3659 299.0482 54.6984 74.3052 761712.7476 -8.0610 -8.0878 PRESSURE: 1078800 -98.1164 -77.7261 48.8915 -77.7262 199.836 -98.0288 48.892 -98.0289 4.25562 GPRESSURE: 1078800 15.4294 -137.293 158.942 -86.7967 220.573 -45.6408 28.8525 -76.4547 -54.5348 PRESSAVG: 1078800 15.9082 -14.4842 75.8717 -14.4842 0.47454 -6.03403 75.8717 -6.03407 16.8425 GPRESSAVG: 1078800 16.9814 -13.2127 76.6294 -17.5525 0.474608 -5.31041 78.1981 -4.27118 15.8342 TIMING: 1078800 CPU: 3397.9, 0.00314734/step Wall: 3397.9, 0.00314734/step, 3.42816 hours remaining, 238.761719 MB of memory in use. ENERGY: 1078800 3987.5217 20475.5040 14463.0713 248.5532 -203257.4196 2719.6534 0.0000 0.0000 52417.8034 -108945.3126 301.2458 -161363.1160 -108566.0910 300.0631 35.3250 60.4893 761891.6466 11.0751 11.0967 PRESSURE: 1079000 -109.877 -31.3075 -221.874 -31.3067 -177.787 94.8281 -221.873 94.8272 46.3757 GPRESSURE: 1079000 -12.0378 63.6634 -88.7882 -28.9051 -140.056 196.463 -178.11 96.7643 -14.7136 PRESSAVG: 1079000 26.109 -14.4962 3.49585 -14.4962 19.7196 26.3959 3.49588 26.3959 2.85026 GPRESSAVG: 1079000 25.5731 -16.1897 4.22599 -13.4426 18.6785 25.3418 2.60123 25.7446 4.09204 TIMING: 1079000 CPU: 3398.53, 0.0031607/step Wall: 3398.53, 0.0031607/step, 3.44253 hours remaining, 238.750000 MB of memory in use. ENERGY: 1079000 3976.2265 20582.2202 14517.4511 265.3625 -203311.9895 2703.7476 0.0000 0.0000 52188.9211 -109078.0605 299.9304 -161266.9816 -108707.6191 300.0937 -80.4295 -55.6023 762508.8218 16.2263 16.1145 PRESSURE: 1079200 83.5928 -123.031 -11.4871 -123.03 -35.1354 -37.7964 -11.4866 -37.7946 69.2476 GPRESSURE: 1079200 -9.74638 -137.418 -43.0355 -137.367 17.2496 -89.4678 -48.5735 -169.639 200.829 PRESSAVG: 1079200 21.0156 31.7129 -0.478924 31.7129 -37.9571 33.4534 -0.478864 33.4534 0.583676 GPRESSAVG: 1079200 21.8181 33.3237 -0.604887 32.8269 -37.5555 34.2465 -1.75846 32.2394 -0.805661 TIMING: 1079200 CPU: 3399.16, 0.0031499/step Wall: 3399.16, 0.0031499/step, 3.43059 hours remaining, 238.750000 MB of memory in use. ENERGY: 1079200 3967.4929 20506.2514 14490.4948 241.3030 -203214.2277 2816.9853 0.0000 0.0000 52109.3351 -109082.3651 299.4731 -161191.7003 -108724.6598 299.8402 39.2350 69.4441 761700.5659 -5.4526 -5.5144 PRESSURE: 1079400 380.587 -115.62 -56.7884 -115.62 -199.939 211.747 -56.7876 211.748 16.2517 GPRESSURE: 1079400 412.943 -187.731 -11.7506 -94.7843 -181.992 145.564 -82.589 209.376 35.8842 PRESSAVG: 1079400 13.551 -60.418 -7.12026 -60.4181 -42.4501 -0.740806 -7.12022 -0.740916 3.03503 GPRESSAVG: 1079400 11.8674 -61.5096 -7.23467 -62.0917 -42.4738 -0.655776 -6.82954 1.44461 5.14284 TIMING: 1079400 CPU: 3399.78, 0.0031265/step Wall: 3399.78, 0.0031265/step, 3.40493 hours remaining, 238.753906 MB of memory in use. ENERGY: 1079400 3998.7831 20629.7604 14407.8744 260.7571 -203345.3213 2759.7098 0.0000 0.0000 52007.1274 -109281.3090 298.8857 -161288.4364 -108929.1246 299.6503 65.6332 88.9451 762652.7293 -8.6214 -8.4879 PRESSURE: 1079600 -103.764 65.8272 35.4948 65.8279 -207.939 33.3216 35.4948 33.3217 -63.1014 GPRESSURE: 1079600 -70.7671 63.5234 42.9887 -12.3513 -136.836 -24.4399 103.121 90.4951 -69.4858 PRESSAVG: 1079600 33.2432 -36.5247 36.0073 -36.5247 22.1727 7.12143 36.0073 7.12143 2.25426 GPRESSAVG: 1079600 34.1997 -35.1305 37.0246 -35.6063 22.718 6.20913 33.4993 7.83279 1.08229 TIMING: 1079600 CPU: 3400.41, 0.00314045/step Wall: 3400.41, 0.00314045/step, 3.41995 hours remaining, 238.750000 MB of memory in use. ENERGY: 1079600 4029.1204 20466.0378 14448.7475 240.5299 -203351.7271 2695.1015 0.0000 0.0000 52274.0247 -109198.1654 300.4195 -161472.1901 -108837.1359 299.6795 -124.9346 -92.3628 760774.7632 19.2234 19.3333 PRESSURE: 1079800 313.025 -23.1371 -15.0191 -23.1366 339.541 -118.455 -15.0195 -118.454 232.246 GPRESSURE: 1079800 274.953 120.211 9.78565 -221.53 343.384 -70.2608 41.7073 -143.678 344.235 PRESSAVG: 1079800 23.0806 0.782706 -29.0459 0.78277 -47.7453 -31.6109 -29.046 -31.6109 -0.338211 GPRESSAVG: 1079800 22.7333 0.472902 -30.0985 -0.0136207 -49.057 -29.9327 -26.3455 -34.1026 1.31782 TIMING: 1079800 CPU: 3401.04, 0.00314138/step Wall: 3401.04, 0.00314138/step, 3.42079 hours remaining, 238.781250 MB of memory in use. ENERGY: 1079800 4014.7260 20541.8119 14515.0173 238.6895 -203284.0361 2741.6205 0.0000 0.0000 52054.5293 -109177.6416 299.1581 -161232.1709 -108822.5569 299.9123 294.9374 320.8576 760256.4882 -8.3343 -8.3353 PRESSURE: 1080000 10.97 -47.2865 240.971 -47.2861 320.862 130.437 240.972 130.438 128.64 GPRESSURE: 1080000 111.239 -11.4768 215.786 -103.852 305.073 189.311 347.527 123.8 117.404 PRESSAVG: 1080000 4.12545 -58.7474 59.9595 -58.7475 -12.0164 59.0142 59.9595 59.0142 27.486 GPRESSAVG: 1080000 4.86288 -58.4737 58.9566 -59.9898 -11.4191 55.8753 60.1173 60.2708 26.0293 TIMING: 1080000 CPU: 3401.67, 0.00315916/step Wall: 3401.67, 0.00315916/step, 3.43997 hours remaining, 238.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1080000 3937.9394 20630.8122 14556.8663 259.8053 -203310.1910 2741.5086 0.0000 0.0000 52077.6192 -109105.6400 299.2908 -161183.2592 -108739.4665 299.9930 153.4908 177.9054 762066.4535 6.5317 6.4910 PRESSURE: 1080200 -55.2717 -50.6741 -188.886 -50.6744 -379.5 -76.2228 -188.885 -76.2225 -239.322 GPRESSURE: 1080200 -13.1328 -34.0879 -200.099 -126.242 -302.122 -74.5976 -198.58 -111.992 -247.605 PRESSAVG: 1080200 -6.60062 -90.8277 34.5978 -90.8277 -26.6645 15.3993 34.5977 15.3993 -8.42342 GPRESSAVG: 1080200 -6.06481 -90.7635 36.8381 -90.5468 -27.228 16.9661 34.4376 15.5337 -8.30438 TIMING: 1080200 CPU: 3402.3, 0.0031422/step Wall: 3402.3, 0.0031422/step, 3.42133 hours remaining, 238.773438 MB of memory in use. ENERGY: 1080200 4002.2609 20482.5047 14458.7572 237.8161 -203250.1970 2687.4080 0.0000 0.0000 52305.2957 -109076.1544 300.5993 -161381.4500 -108721.8740 299.5959 -224.6977 -187.6200 762566.8952 -13.8962 -13.8657 LDB: ============= START OF LOAD BALANCING ============== 3414.7 LDB: ============== END OF LOAD BALANCING =============== 3414.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3414.7 LDB: ============= START OF LOAD BALANCING ============== 3415.02 LDB: Largest compute 7077 load 0.034467 is 17.6% of average load 0.195928 LDB: Average compute 0.004401 is 2.2% of average load 0.195928 LDB: TIME 3415.02 LOAD: AVG 0.195928 MAX 0.21693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.809 MB LDB: TIME 3415.02 LOAD: AVG 0.195928 MAX 0.21693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.945 MB LDB: TIME 3415.02 LOAD: AVG 0.195928 MAX 0.21693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3415.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3415.03 PRESSURE: 1080400 408.846 -182.82 43.1357 -182.819 388.663 186.591 43.1362 186.591 400.727 GPRESSURE: 1080400 520.682 -297.836 52.5219 -108.158 351.713 202.456 95.7041 53.4109 400.035 PRESSAVG: 1080400 33.5226 -72.1676 20.9993 -72.1675 -6.77094 -16.2043 20.9992 -16.2043 -12.84 GPRESSAVG: 1080400 33.2384 -72.9349 20.7627 -73.2898 -5.69201 -15.5494 19.4489 -15.7642 -13.4553 TIMING: 1080400 CPU: 3402.94, 0.00321632/step Wall: 3402.94, 0.00321632/step, 3.50186 hours remaining, 238.074219 MB of memory in use. ENERGY: 1080400 3982.2365 20523.6351 14489.6875 241.9718 -203406.3105 3060.4364 0.0000 0.0000 52092.8089 -109015.5343 299.3781 -161108.3432 -108647.5105 300.2160 399.4120 424.1433 760286.5115 4.6372 4.6970 PRESSURE: 1080600 70.4089 171.592 47.7185 171.592 -69.0615 48.4379 47.7177 48.4371 305.861 GPRESSURE: 1080600 97.184 85.0195 75.4645 110.979 -7.40524 132.666 83.4838 204.102 306.974 PRESSAVG: 1080600 -25.5639 -38.0631 10.6636 -38.0631 43.3 -16.8545 10.6635 -16.8545 -9.62725 GPRESSAVG: 1080600 -25.8052 -37.0653 8.66527 -38.1102 42.9031 -15.7883 13.1764 -17.6339 -8.42674 TIMING: 1080600 CPU: 3403.58, 0.00316843/step Wall: 3403.58, 0.00316843/step, 3.44954 hours remaining, 238.339844 MB of memory in use. ENERGY: 1080600 4003.1001 20526.8270 14474.1223 247.9451 -203252.5202 2872.1847 0.0000 0.0000 52313.9277 -108814.4134 300.6489 -161128.3411 -108454.5949 300.5374 102.4027 132.2510 761467.2471 2.7030 2.8904 PRESSURE: 1080800 273.919 -169.488 23.2878 -169.488 249.79 -79.1172 23.2872 -79.1177 675.991 GPRESSURE: 1080800 367.401 -121.103 22.8729 -99.0999 161.358 -144.02 6.35051 -89.8198 760.469 PRESSAVG: 1080800 -22.3961 -26.7162 38.3617 -26.7164 15.1609 -22.7256 38.3616 -22.7255 14.1989 GPRESSAVG: 1080800 -21.2648 -26.1099 40.6375 -26.0982 14.2392 -23.7638 34.9874 -23.3711 14.2446 TIMING: 1080800 CPU: 3404.21, 0.00313778/step Wall: 3404.21, 0.00313778/step, 3.416 hours remaining, 238.339844 MB of memory in use. ENERGY: 1080800 4003.6795 20652.9057 14413.0325 262.2548 -203340.1423 2861.9467 0.0000 0.0000 52076.9261 -109069.3970 299.2868 -161146.3231 -108708.3682 300.1485 399.8999 429.7428 761517.5402 2.3212 2.4063 PRESSURE: 1081000 61.2492 -64.6853 168.297 -64.6849 -58.1211 -44.8393 168.298 -44.8396 -632.962 GPRESSURE: 1081000 96.952 -59.4669 134.341 -29.9806 -29.1495 87.8585 135.276 -34.0074 -586.187 PRESSAVG: 1081000 -10.6723 -6.00044 -8.46317 -6.00043 22.2271 -44.2214 -8.4632 -44.2213 -17.5541 GPRESSAVG: 1081000 -11.8888 -7.0824 -8.87483 -5.616 23.6803 -44.1507 -5.78237 -42.8211 -17.815 TIMING: 1081000 CPU: 3404.83, 0.00313936/step Wall: 3404.83, 0.00313936/step, 3.41754 hours remaining, 238.339844 MB of memory in use. ENERGY: 1081000 4097.2037 20467.8534 14468.6803 238.2470 -203377.0130 2731.7928 0.0000 0.0000 52383.3530 -108989.8828 301.0478 -161373.2358 -108613.3063 300.3189 -209.9447 -172.7949 760710.5102 -1.9998 -2.0078 PRESSURE: 1081200 43.0079 -22.0555 248.572 -22.0563 -168.327 -107.911 248.574 -107.911 -236.228 GPRESSURE: 1081200 53.7409 108.225 217.867 -131.169 -165.324 -27.1847 127.145 -130.836 -183.329 PRESSAVG: 1081200 -23.4374 -41.6298 -46.3632 -41.6298 -18.7523 9.44025 -46.3632 9.44023 9.32886 GPRESSAVG: 1081200 -23.5274 -39.281 -46.5552 -44.2793 -18.5397 9.10507 -48.7065 8.80815 8.9509 TIMING: 1081200 CPU: 3405.46, 0.0031319/step Wall: 3405.46, 0.0031319/step, 3.40924 hours remaining, 238.339844 MB of memory in use. ENERGY: 1081200 3954.3878 20479.2327 14486.1726 254.8384 -203547.1857 2859.9598 0.0000 0.0000 52428.1851 -109084.4093 301.3055 -161512.5945 -108714.2289 300.5177 -120.5155 -98.3042 760126.1918 -10.9536 -11.0387 PRESSURE: 1081400 -9.53856 -27.3753 120.61 -27.3759 257.859 -10.9809 120.61 -10.9803 -107.349 GPRESSURE: 1081400 -43.2556 -13.3141 94.9584 -22.8619 282.291 -44.2978 110.986 -56.7644 -39.4991 PRESSAVG: 1081400 -2.0572 -81.6241 -31.7033 -81.6241 -4.32353 -30.9758 -31.7033 -30.9757 0.928976 GPRESSAVG: 1081400 -1.75308 -82.7214 -32.7421 -78.3444 -6.33865 -30.0596 -30.0243 -32.8294 2.04165 TIMING: 1081400 CPU: 3406.09, 0.00314485/step Wall: 3406.09, 0.00314485/step, 3.42317 hours remaining, 238.339844 MB of memory in use. ENERGY: 1081400 4048.7950 20646.5402 14472.1299 259.9100 -203372.1184 2670.9648 0.0000 0.0000 52436.6029 -108837.1756 301.3539 -161273.7785 -108485.0970 300.8341 46.9905 66.5121 761259.1051 -1.8173 -2.0167 PRESSURE: 1081600 106.07 55.9956 10.309 55.9949 83.5481 97.0058 10.3098 97.0059 -328.654 GPRESSURE: 1081600 258.93 53.0903 52.7059 -8.95775 73.4661 75.8958 -235.856 126.131 -374.594 PRESSAVG: 1081600 -9.00269 17.57 -15.9269 17.57 31.0704 1.68943 -15.9269 1.68942 15.1913 GPRESSAVG: 1081600 -8.34672 15.2295 -14.6395 17.0509 33.0147 1.63698 -16.9448 2.42398 13.2608 TIMING: 1081600 CPU: 3406.72, 0.00316048/step Wall: 3406.72, 0.00316048/step, 3.44001 hours remaining, 238.339844 MB of memory in use. ENERGY: 1081600 3991.4623 20642.3560 14458.0824 238.9524 -203349.3465 2751.7181 0.0000 0.0000 52294.1401 -108972.6352 300.5351 -161266.7752 -108605.1224 300.6650 -46.3452 -14.0661 760453.0905 12.4197 12.6429 PRESSURE: 1081800 -141.602 -223.318 17.9278 -223.317 -226.409 -127.631 17.928 -127.632 -549.631 GPRESSURE: 1081800 -83.8295 -147.796 18.8211 -163.9 -184.887 -81.0318 134.987 -113.708 -563.263 PRESSAVG: 1081800 -17.4681 -8.05677 19.9037 -8.05683 -2.58574 47.3459 19.9037 47.3459 -21.4526 GPRESSAVG: 1081800 -17.9289 -4.4778 19.6661 -9.20714 -3.74334 47.0548 19.5848 47.621 -19.75 TIMING: 1081800 CPU: 3407.35, 0.00314222/step Wall: 3407.35, 0.00314222/step, 3.41996 hours remaining, 238.339844 MB of memory in use. ENERGY: 1081800 3955.0074 20508.6083 14427.4996 261.7960 -203371.9836 2647.3138 0.0000 0.0000 52508.8504 -109062.9081 301.7691 -161571.7585 -108688.1920 300.1818 -305.8807 -277.3263 761029.3497 -13.8355 -13.8074 PRESSURE: 1082000 -130.898 369.452 -66.8299 369.452 -4.42045 -12.3751 -66.8304 -12.3747 20.9578 GPRESSURE: 1082000 -23.6603 302.119 -76.8915 338.789 -86.9923 2.84245 77.3901 -8.60774 69.7083 PRESSAVG: 1082000 -72.6698 11.5507 9.26796 11.5508 52.9461 -31.0629 9.26795 -31.0629 -2.97983 GPRESSAVG: 1082000 -73.9807 10.1014 9.3823 10.857 52.523 -30.6937 11.6734 -31.3277 -1.44897 TIMING: 1082000 CPU: 3407.98, 0.00315313/step Wall: 3407.98, 0.00315313/step, 3.43166 hours remaining, 238.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1082000 4022.8782 20479.3472 14475.3464 261.9829 -202861.2278 2477.9072 0.0000 0.0000 51975.4973 -109168.2687 298.7039 -161143.7660 -108810.4807 299.5593 -38.1202 -13.6481 761733.1745 -7.5679 -7.6355 PRESSURE: 1082200 -277.218 -129.138 191.491 -129.139 -296.415 154.436 191.491 154.436 30.7452 GPRESSURE: 1082200 -218.845 -38.3747 123.998 -73.0975 -270.57 141.743 60.2505 95.4032 24.7984 PRESSAVG: 1082200 -30.1556 22.6911 0.0765302 22.6911 11.1541 23.5129 0.0765522 23.5131 -18.2886 GPRESSAVG: 1082200 -29.4371 22.7809 -0.171158 22.2764 11.1927 23.6788 0.696671 21.3497 -18.7594 TIMING: 1082200 CPU: 3408.61, 0.00315872/step Wall: 3408.61, 0.00315872/step, 3.43757 hours remaining, 238.339844 MB of memory in use. ENERGY: 1082200 4004.2965 20583.4270 14512.1564 231.1583 -202774.3519 2142.5676 0.0000 0.0000 52211.9114 -109088.8347 300.0626 -161300.7462 -108724.6362 299.7507 -180.9624 -154.8724 760804.6731 -12.4300 -12.3346 PRESSURE: 1082400 131.188 112.705 373.944 112.706 28.0614 -180.222 373.945 -180.222 44.3295 GPRESSURE: 1082400 121.38 113.59 357.121 30.5855 32.7163 -166.832 215.533 -277.67 115.971 PRESSAVG: 1082400 -8.66655 -5.08732 24.3803 -5.08734 45.4938 -28.0315 24.3803 -28.0315 6.11359 GPRESSAVG: 1082400 -8.50768 -6.01463 24.1821 -3.96367 46.9854 -27.5304 23.6089 -26.1692 4.83107 TIMING: 1082400 CPU: 3409.24, 0.00314903/step Wall: 3409.24, 0.00314903/step, 3.42684 hours remaining, 238.339844 MB of memory in use. ENERGY: 1082400 4055.3384 20542.3025 14586.1145 244.2437 -203684.2618 2788.7251 0.0000 0.0000 52331.0635 -109136.4742 300.7473 -161467.5377 -108772.2707 299.8588 67.8598 90.0225 759608.7161 14.3136 14.4363 PRESSURE: 1082600 59.7686 -17.4876 149.66 -17.4878 113.601 -201.608 149.661 -201.608 -266.714 GPRESSURE: 1082600 79.322 -37.2605 131.893 43.7972 121.993 -273.136 204.356 -120.812 -216.157 PRESSAVG: 1082600 -22.0562 -14.2107 60.7826 -14.2107 43.4571 -63.0929 60.7826 -63.093 11.2436 GPRESSAVG: 1082600 -23.6413 -14.6276 62.5318 -14.0048 43.1417 -65.4221 59.1966 -62.2844 13.5333 TIMING: 1082600 CPU: 3409.87, 0.0031601/step Wall: 3409.87, 0.0031601/step, 3.43871 hours remaining, 238.339844 MB of memory in use. ENERGY: 1082600 4059.2939 20517.4318 14547.1914 252.9918 -203471.5518 2669.1457 0.0000 0.0000 52218.2145 -109207.2828 300.0988 -161425.4973 -108842.2961 300.1383 -31.1149 -4.9471 760818.4078 10.8815 11.0112 PRESSURE: 1082800 -187.62 -133.043 165.555 -133.042 -275.24 -108.229 165.555 -108.23 -467.116 GPRESSURE: 1082800 -106.95 -155.586 128.367 40.6387 -249.048 35.1936 85.1505 -77.2276 -500.266 PRESSAVG: 1082800 -6.15079 -0.939012 -8.82513 -0.939 -11.4842 -0.856186 -8.82518 -0.856066 -18.4836 GPRESSAVG: 1082800 -5.07413 1.07814 -9.60764 -0.688695 -11.7409 0.182106 -8.69699 -1.95211 -19.4402 TIMING: 1082800 CPU: 3410.51, 0.00317256/step Wall: 3410.51, 0.00317256/step, 3.4521 hours remaining, 238.339844 MB of memory in use. ENERGY: 1082800 3992.2275 20434.2095 14496.1107 228.6828 -202996.3660 2396.7195 0.0000 0.0000 52151.2598 -109297.1561 299.7140 -161448.4159 -108916.7762 299.9869 -309.9921 -285.4212 763374.8392 -12.0395 -12.0851 PRESSURE: 1083000 -223.327 -237.429 224.465 -237.43 346.474 186.303 224.465 186.303 -35.3801 GPRESSURE: 1083000 -95.499 -121.885 265.679 -230.365 262.022 168.848 201.769 179.575 -1.90699 PRESSAVG: 1083000 -32.2327 12.6334 -4.22254 12.6334 48.4264 -21.831 -4.22248 -21.8311 2.61987 GPRESSAVG: 1083000 -31.2853 12.8347 -3.99525 12.6016 47.5326 -20.7862 -3.98092 -21.3046 2.63019 TIMING: 1083000 CPU: 3411.14, 0.00315792/step Wall: 3411.14, 0.00315792/step, 3.436 hours remaining, 238.339844 MB of memory in use. ENERGY: 1083000 4042.9769 20520.5013 14441.1437 253.5967 -203472.5259 2668.1099 0.0000 0.0000 52171.1784 -109375.0189 299.8285 -161546.1972 -109011.9151 299.3867 29.2556 54.8719 761864.9861 6.2712 6.2925 PRESSURE: 1083200 -18.2826 -9.75045 33.3156 -9.75046 248.171 149.031 33.3148 149.031 196.003 GPRESSURE: 1083200 91.1892 -74.6143 -24.349 -126.455 264.233 114.068 27.9451 227.886 155.44 PRESSAVG: 1083200 -10.1608 -13.2568 -19.4126 -13.2567 18.0835 7.96961 -19.4125 7.96971 -1.20295 GPRESSAVG: 1083200 -10.2056 -15.2672 -20.3095 -12.9535 17.7021 8.38343 -17.9887 6.61078 -0.47611 TIMING: 1083200 CPU: 3411.77, 0.00316041/step Wall: 3411.77, 0.00316041/step, 3.43853 hours remaining, 238.339844 MB of memory in use. ENERGY: 1083200 3970.6893 20527.6700 14465.1825 281.3487 -202979.1732 2506.3135 0.0000 0.0000 52037.7250 -109190.2443 299.0615 -161227.9693 -108813.0424 299.9739 141.9638 170.2876 760618.0458 2.2399 2.3401 PRESSURE: 1083400 -244.187 -77.9308 -65.5502 -77.9309 -27.1217 -109.517 -65.5494 -109.517 476.794 GPRESSURE: 1083400 -205.801 -31.1112 -45.1957 -81.9728 70.7468 -101.231 33.4765 -93.3431 405.942 PRESSAVG: 1083400 7.458 -43.1007 -25.4243 -43.1008 36.5193 1.69052 -25.4244 1.69056 7.31721 GPRESSAVG: 1083400 6.48669 -42.7649 -24.4834 -43.0134 39.0909 1.26597 -25.8057 2.23258 6.08655 TIMING: 1083400 CPU: 3412.41, 0.00317267/step Wall: 3412.41, 0.00317267/step, 3.45169 hours remaining, 238.339844 MB of memory in use. ENERGY: 1083400 3942.0062 20651.5382 14578.4975 259.8453 -203234.8377 2413.2835 0.0000 0.0000 52056.0355 -109333.6315 299.1668 -161389.6670 -108969.4245 300.0198 68.4949 90.2959 760426.2543 17.0982 17.2214 PRESSURE: 1083600 435.766 -114.162 178.726 -114.163 11.9337 -18.0045 178.726 -18.0041 289.446 GPRESSURE: 1083600 498.969 -29.5275 273.969 -85.1935 24.6213 37.1286 101.79 -4.0271 314.219 PRESSAVG: 1083600 -10.1108 -13.934 -28.5408 -13.934 -23.7619 -52.4641 -28.5408 -52.4642 12.9344 GPRESSAVG: 1083600 -10.2631 -15.9623 -29.4438 -12.6683 -24.4422 -51.9463 -29.8543 -50.4098 14.2076 TIMING: 1083600 CPU: 3413.04, 0.00315766/step Wall: 3413.04, 0.00315766/step, 3.43518 hours remaining, 238.339844 MB of memory in use. ENERGY: 1083600 3901.0295 20555.6067 14407.7656 246.1055 -203281.8369 2689.7547 0.0000 0.0000 52062.0335 -109419.5416 299.2012 -161481.5751 -109049.3262 299.2134 245.7154 279.2696 761277.1328 -6.9795 -6.8326 PRESSURE: 1083800 111.984 -86.9309 121.962 -86.9312 226.026 -209.816 121.961 -209.817 -92.8174 GPRESSURE: 1083800 170.061 -74.1382 104.369 27.2816 185.04 -166.24 -28.8122 -160.365 -13.7857 PRESSAVG: 1083800 33.0436 29.9403 42.3995 29.9403 -23.1332 -50.6396 42.3994 -50.6396 -8.11134 GPRESSAVG: 1083800 33.4037 33.8744 43.1885 28.548 -25.8161 -51.4509 43.6658 -52.1819 -6.31451 TIMING: 1083800 CPU: 3413.67, 0.00317031/step Wall: 3413.67, 0.00317031/step, 3.44877 hours remaining, 238.339844 MB of memory in use. ENERGY: 1083800 4012.1743 20521.4779 14506.1080 232.4041 -204120.2926 3009.4897 0.0000 0.0000 52176.4018 -109662.2368 299.8585 -161838.6386 -109299.2352 299.1172 81.7310 113.7718 760363.6301 0.5997 0.4244 PRESSURE: 1084000 -97.5949 75.5227 -51.1768 75.521 147.065 -41.8402 -51.176 -41.8395 74.3573 GPRESSURE: 1084000 -49.5693 54.0889 -31.9311 38.1311 166.973 -93.3038 -44.8013 81.2872 58.5767 PRESSAVG: 1084000 -27.5119 -7.9498 37.9773 -7.94984 23.4341 -21.6669 37.9773 -21.6669 9.15721 GPRESSAVG: 1084000 -26.3164 -8.80273 35.7031 -7.49541 24.1605 -22.8438 38.3336 -19.967 6.83365 TIMING: 1084000 CPU: 3414.3, 0.00314542/step Wall: 3414.3, 0.00314542/step, 3.42152 hours remaining, 238.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1084000 4077.1062 20609.3881 14460.9740 239.5497 -204140.1740 2854.2355 0.0000 0.0000 52105.2890 -109793.6316 299.4498 -161898.9206 -109434.8470 299.2546 41.2759 58.6603 758862.3377 1.6931 1.5592 PRESSURE: 1084200 95.2602 19.9088 -99.4819 19.9076 -638.251 81.5904 -99.4825 81.5898 -235.829 GPRESSURE: 1084200 44.7599 37.3764 -196.034 -9.58437 -585.73 23.8088 95.4839 56.6538 -156.447 PRESSAVG: 1084200 21.1885 -16.7408 10.1923 -16.7408 -8.87546 -4.8667 10.1923 -4.86679 -0.136268 GPRESSAVG: 1084200 19.6001 -17.4598 11.3471 -16.8913 -7.7102 -4.22959 10.7312 -5.41251 0.185329 TIMING: 1084200 CPU: 3414.93, 0.00314673/step Wall: 3414.93, 0.00314673/step, 3.42277 hours remaining, 238.339844 MB of memory in use. ENERGY: 1084200 3968.9983 20553.6280 14456.3790 241.7427 -203778.9915 2665.6522 0.0000 0.0000 52047.2209 -109845.3704 299.1161 -161892.5913 -109474.9067 298.9592 -259.6066 -232.4721 761358.2580 4.0589 4.0251 LDB: ============= START OF LOAD BALANCING ============== 3427.33 LDB: ============== END OF LOAD BALANCING =============== 3427.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3427.33 LDB: ============= START OF LOAD BALANCING ============== 3427.64 LDB: Largest compute 7077 load 0.034934 is 17.8% of average load 0.195933 LDB: Average compute 0.004364 is 2.2% of average load 0.195933 LDB: TIME 3427.65 LOAD: AVG 0.195933 MAX 0.213527 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.918 MB LDB: TIME 3427.65 LOAD: AVG 0.195933 MAX 0.213527 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.918 MB LDB: TIME 3427.65 LOAD: AVG 0.195933 MAX 0.213527 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.918 MB LDB: ============== END OF LOAD BALANCING =============== 3427.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3427.65 PRESSURE: 1084400 -179.384 -216.598 -100.612 -216.598 128.853 94.6818 -100.611 94.6813 9.32037 GPRESSURE: 1084400 -114.381 -173.843 -102.43 -304.662 115.968 62.5099 -96.1783 176.849 54.1366 PRESSAVG: 1084400 16.5876 -21.2213 58.1867 -21.2214 30.5455 0.466023 58.1867 0.466016 0.918541 GPRESSAVG: 1084400 15.87 -20.1964 58.6075 -21.3216 30.9836 0.250756 57.0866 0.0818121 0.734355 TIMING: 1084400 CPU: 3415.57, 0.00320879/step Wall: 3415.57, 0.00320879/step, 3.4901 hours remaining, 237.933594 MB of memory in use. ENERGY: 1084400 4054.9458 20643.1734 14466.4626 248.2895 -204027.0981 2785.7677 0.0000 0.0000 51899.2732 -109929.1858 298.2658 -161828.4590 -109571.4115 298.5954 -13.7369 18.5745 759164.7766 16.0172 15.8627 PRESSURE: 1084600 -8.56449 65.0119 -219.114 65.0123 -124.093 -52.6081 -219.113 -52.6074 162.416 GPRESSURE: 1084600 -66.6478 57.6238 -172.496 160.982 -15.7433 -142.02 -119.451 10.1619 190.653 PRESSAVG: 1084600 -55.4389 3.39908 -48.2346 3.39918 32.3835 -23.8731 -48.2346 -23.873 15.6153 GPRESSAVG: 1084600 -53.509 5.33193 -48.8915 1.84545 31.0614 -24.5572 -46.1194 -22.8289 15.3083 TIMING: 1084600 CPU: 3416.2, 0.00314684/step Wall: 3416.2, 0.00314684/step, 3.42253 hours remaining, 238.378906 MB of memory in use. ENERGY: 1084600 3994.9920 20658.3642 14483.0156 240.0191 -203554.9922 2529.0422 0.0000 0.0000 51836.5601 -109812.9991 297.9054 -161649.5592 -109451.4362 298.8821 9.9194 36.0874 760169.7549 -2.4800 -2.3798 PRESSURE: 1084800 23.6067 2.9117 248.581 2.91192 -106.506 -102.529 248.582 -102.53 -312.746 GPRESSURE: 1084800 11.1305 -44.3902 184.754 -23.5534 -78.13 -77.8529 332.121 -33.0294 -264.737 PRESSAVG: 1084800 34.2168 0.318146 3.0745 0.318154 -22.2686 -66.1575 3.07447 -66.1576 3.26828 GPRESSAVG: 1084800 32.073 -1.71701 3.66192 0.653517 -20.3614 -63.2542 0.248117 -68.5229 3.22966 TIMING: 1084800 CPU: 3416.83, 0.00315398/step Wall: 3416.83, 0.00315398/step, 3.43013 hours remaining, 238.378906 MB of memory in use. ENERGY: 1084800 3936.6851 20667.7461 14424.2493 241.3415 -203851.4667 2789.5457 0.0000 0.0000 52154.0424 -109637.8566 299.7300 -161791.8990 -109270.4816 298.9609 -131.8819 -110.5789 759562.6893 5.0722 4.9804 PRESSURE: 1085000 -104.201 -91.7541 33.4273 -91.7535 -110.342 -85.4602 33.4277 -85.4611 150.92 GPRESSURE: 1085000 -110.642 -171.287 -58.0563 -29.8587 -65.9549 -44.803 172.019 -164.537 191.265 PRESSAVG: 1085000 -4.76218 -31.4997 -4.82432 -31.4997 19.7533 -34.8386 -4.82433 -34.8387 -13.249 GPRESSAVG: 1085000 -4.00602 -29.1649 -5.38753 -31.0023 18.4277 -36.7893 -3.99237 -35.7168 -12.1549 TIMING: 1085000 CPU: 3417.46, 0.00314391/step Wall: 3417.46, 0.00314391/step, 3.41901 hours remaining, 238.378906 MB of memory in use. ENERGY: 1085000 4033.3171 20551.4500 14454.5413 230.7013 -203334.8879 2701.3665 0.0000 0.0000 51852.3510 -109511.1607 297.9962 -161363.5117 -109146.7832 299.1635 -21.2074 4.8896 760575.0856 0.5807 0.7556 PRESSURE: 1085200 -52.1971 -22.2928 -26.3188 -22.2941 414.434 -14.9707 -26.3192 -14.9711 331.231 GPRESSURE: 1085200 -3.03227 -102.918 -124.238 -14.9224 505.785 8.73351 66.1056 112.363 276.088 PRESSAVG: 1085200 -11.0735 -14.6594 -59.7596 -14.6593 9.86729 -8.23076 -59.7596 -8.23076 34.0538 GPRESSAVG: 1085200 -11.0355 -18.9064 -60.794 -12.7677 10.6992 -8.18941 -58.2242 -4.97239 32.719 TIMING: 1085200 CPU: 3418.09, 0.00314141/step Wall: 3418.09, 0.0031414/step, 3.4161 hours remaining, 238.378906 MB of memory in use. ENERGY: 1085200 3980.3581 20612.3113 14426.4291 250.7277 -203725.9615 2773.3494 0.0000 0.0000 52164.3106 -109518.4753 299.7890 -161682.7859 -109150.1636 299.4049 231.1561 259.6138 760341.2221 10.9492 10.7942 PRESSURE: 1085400 -194.11 90.0351 -13.1918 90.0354 -91.7758 -17.8656 -13.1919 -17.8651 -131.67 GPRESSURE: 1085400 -125.095 192.842 94.073 58.6505 -134.843 41.1381 32.6061 -89.3215 -88.8219 PRESSAVG: 1085400 19.176 -22.36 -27.3325 -22.36 -44.1839 2.96727 -27.3325 2.96732 -1.82842 GPRESSAVG: 1085400 19.5408 -20.9853 -23.4775 -22.2789 -45.6213 4.06595 -26.9386 0.460111 -0.821105 TIMING: 1085400 CPU: 3418.72, 0.00313686/step Wall: 3418.72, 0.00313686/step, 3.41099 hours remaining, 238.378906 MB of memory in use. ENERGY: 1085400 4024.1047 20565.7721 14483.9219 263.7972 -203176.2052 2445.9602 0.0000 0.0000 51999.0228 -109393.6262 298.8391 -161392.6491 -109038.9931 299.5604 -139.1854 -116.2532 760811.6158 -8.9455 -8.9672 PRESSURE: 1085600 -347.74 -337.718 -28.549 -337.718 -486.246 -24.1562 -28.5487 -24.1559 -340.129 GPRESSURE: 1085600 -390.36 -230.162 -0.51261 -237.928 -448.901 -43.2569 -47.0444 3.94477 -251.284 PRESSAVG: 1085600 70.3799 26.7502 4.736 26.7502 -72.5884 -42.6876 4.73607 -42.6876 19.081 GPRESSAVG: 1085600 68.9878 27.9807 2.53362 28.3606 -71.9473 -45.1319 3.57277 -39.56 19.7518 TIMING: 1085600 CPU: 3419.35, 0.00315012/step Wall: 3419.35, 0.00315012/step, 3.42523 hours remaining, 238.378906 MB of memory in use. ENERGY: 1085600 4025.4902 20586.2645 14485.4144 218.2675 -203080.6878 2166.4827 0.0000 0.0000 52077.2271 -109521.5414 299.2885 -161598.7685 -109160.9378 299.6877 -391.3715 -363.5152 761796.9954 5.6241 5.5975 PRESSURE: 1085800 442.021 -68.9335 196.361 -68.9338 98.1973 -49.4985 196.361 -49.4981 200.109 GPRESSURE: 1085800 397.38 -139.032 159.029 -149.303 133.418 -92.0812 159.866 -40.2345 314.492 PRESSAVG: 1085800 44.5776 11.7333 7.39952 11.7333 -40.2352 -7.59766 7.39956 -7.59768 13.412 GPRESSAVG: 1085800 44.881 11.0263 8.5972 9.35786 -39.098 -4.67783 7.02771 -10.54 11.782 TIMING: 1085800 CPU: 3419.98, 0.00316314/step Wall: 3419.98, 0.00316314/step, 3.43921 hours remaining, 238.378906 MB of memory in use. ENERGY: 1085800 3948.7916 20600.7803 14437.7546 244.0799 -203361.3684 2752.7763 0.0000 0.0000 51975.8510 -109401.3346 298.7059 -161377.1856 -109034.4286 299.9147 246.7758 281.7634 759987.0748 5.9181 5.8550 PRESSURE: 1086000 54.6809 -83.0519 -147.803 -83.0524 -250.565 -71.3727 -147.803 -71.3717 -205.353 GPRESSURE: 1086000 -1.8434 -140.557 -122.791 -50.9378 -257.785 -130.673 -83.8528 52.4858 -67.6011 PRESSAVG: 1086000 -36.0357 -18.7815 14.6138 -18.7815 3.76989 -51.1874 14.6138 -51.1874 -0.769616 GPRESSAVG: 1086000 -36.7959 -20.3687 16.0762 -18.4723 3.23221 -52.5628 13.8984 -49.6415 0.580437 TIMING: 1086000 CPU: 3420.61, 0.00316295/step Wall: 3420.61, 0.00316295/step, 3.43883 hours remaining, 238.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1086000 4011.6396 20624.0957 14530.4197 245.3200 -203455.1647 2468.4435 0.0000 0.0000 52061.7749 -109513.4712 299.1997 -161575.2461 -109145.3445 299.2708 -133.7459 -109.0766 759363.1924 -11.0118 -10.9944 PRESSURE: 1086200 -49.4301 -72.053 36.9322 -72.0537 -224.445 30.5381 36.9317 30.5389 -146.897 GPRESSURE: 1086200 -103.986 -96.1083 33.3866 7.2424 -105.475 10.2446 0.988456 -2.50301 -132.339 PRESSAVG: 1086200 9.65378 -56.784 -10.0499 -56.7839 -51.0732 -37.6383 -10.0499 -37.6383 15.5088 GPRESSAVG: 1086200 10.7006 -55.9931 -12.3831 -55.0827 -51.0023 -37.1628 -7.48807 -37.412 14.8541 TIMING: 1086200 CPU: 3421.25, 0.00316954/step Wall: 3421.25, 0.00316954/step, 3.44582 hours remaining, 238.378906 MB of memory in use. ENERGY: 1086200 4017.7453 20490.9563 14462.2207 243.7954 -203408.4161 2468.1534 0.0000 0.0000 51946.7975 -109778.7474 298.5390 -161725.5449 -109421.0589 299.2449 -140.2574 -113.9336 758922.4939 -8.6369 -8.4826 PRESSURE: 1086400 -119.763 -6.98113 42.601 -6.98187 -360.104 -206.246 42.6013 -206.245 -43.3036 GPRESSURE: 1086400 -161.452 -76.8736 140.978 6.7818 -246.098 -225.544 78.8821 -50.1547 -13.1075 PRESSAVG: 1086400 37.4978 -65.221 -10.4655 -65.2209 -43.8319 10.3708 -10.4655 10.3708 -4.50978 GPRESSAVG: 1086400 37.757 -67.4245 -10.9057 -64.1093 -43.353 9.88635 -11.5004 11.1238 -5.17129 TIMING: 1086400 CPU: 3421.88, 0.00315334/step Wall: 3421.88, 0.00315334/step, 3.42803 hours remaining, 238.378906 MB of memory in use. ENERGY: 1086400 4016.6879 20437.3519 14476.5910 255.8189 -202969.8265 2268.6699 0.0000 0.0000 51885.2910 -109629.4157 298.1855 -161514.7068 -109261.2675 298.8039 -174.3902 -140.2190 761544.6909 -3.6146 -3.5891 PRESSURE: 1086600 136.839 -22.7618 17.1169 -22.7617 -214.484 -59.0006 17.1177 -59.0014 200.847 GPRESSURE: 1086600 130.963 32.5828 97.6426 -6.25963 -117.099 -26.0528 -67.7977 21.4901 196.091 PRESSAVG: 1086600 37.7529 -14.5754 -11.226 -14.5753 -7.00437 40.9111 -11.2261 40.9111 -13.0269 GPRESSAVG: 1086600 37.4234 -12.5505 -10.8802 -16.3695 -7.52468 40.8552 -11.4946 40.0282 -12.2196 TIMING: 1086600 CPU: 3422.51, 0.00314613/step Wall: 3422.51, 0.00314613/step, 3.42001 hours remaining, 238.378906 MB of memory in use. ENERGY: 1086600 3941.0709 20511.9255 14481.9740 251.3440 -203391.1424 2390.5042 0.0000 0.0000 52192.7464 -109621.5773 299.9524 -161814.3237 -109256.0245 299.1812 41.0675 69.9850 761424.8824 5.9072 5.8930 PRESSURE: 1086800 -41.718 -129.125 -75.5819 -129.124 -210.694 -116.123 -75.5815 -116.124 182.863 GPRESSURE: 1086800 64.0789 -191.399 -111.614 -55.9154 -212.545 -131.846 7.16368 -102.675 165.285 PRESSAVG: 1086800 6.02837 -39.0491 -1.73459 -39.0491 -31.4082 28.0134 -1.73466 28.0134 8.23243 GPRESSAVG: 1086800 5.99728 -38.2525 -1.28521 -39.4412 -31.0194 26.6317 -1.69273 27.3443 7.38417 TIMING: 1086800 CPU: 3423.14, 0.00317592/step Wall: 3423.14, 0.00317592/step, 3.45223 hours remaining, 238.449219 MB of memory in use. ENERGY: 1086800 4011.1051 20638.6801 14427.3477 261.5468 -203423.5618 2632.8493 0.0000 0.0000 51825.2410 -109626.7918 297.8404 -161452.0329 -109264.2568 299.1083 -23.1830 5.6064 762395.0160 -5.7158 -5.8793 PRESSURE: 1087000 309.241 -13.4987 -67.8811 -13.4986 181.88 77.4056 -67.8812 77.4068 25.496 GPRESSURE: 1087000 319.88 -44.1505 -87.7012 80.9283 177.027 74.5091 -59.2234 -38.7079 87.2282 PRESSAVG: 1087000 14.4952 -4.20136 40.5618 -4.20134 -50.9164 7.27249 40.5618 7.27252 10.6211 GPRESSAVG: 1087000 15.6989 -3.0923 39.6109 -4.75658 -51.5809 8.46861 42.5847 7.61697 10.4032 TIMING: 1087000 CPU: 3423.77, 0.00316066/step Wall: 3423.77, 0.00316066/step, 3.43546 hours remaining, 238.449219 MB of memory in use. ENERGY: 1087000 4082.8278 20498.7626 14394.1650 254.9412 -203642.4050 2625.8991 0.0000 0.0000 52285.2948 -109500.5145 300.4843 -161785.8093 -109149.8658 299.4994 172.2055 194.7116 760099.6450 -8.6000 -8.4930 PRESSURE: 1087200 -282.694 162.483 371.205 162.482 4.80797 28.0321 371.205 28.0328 37.9778 GPRESSURE: 1087200 -159.265 120.45 352.785 145.083 -12.0692 72.655 380.556 118.492 1.95912 PRESSAVG: 1087200 84.3247 -20.4448 -1.22977 -20.4448 -29.3576 -14.6629 -1.22976 -14.6629 -0.877501 GPRESSAVG: 1087200 83.8083 -21.759 -0.753539 -21.0177 -29.2377 -13.37 -2.84777 -14.0646 0.0393361 TIMING: 1087200 CPU: 3424.41, 0.00316351/step Wall: 3424.41, 0.00316351/step, 3.43839 hours remaining, 238.449219 MB of memory in use. ENERGY: 1087200 3985.3711 20558.5058 14468.4428 258.3494 -203464.6853 2451.1519 0.0000 0.0000 52069.3645 -109673.4997 299.2434 -161742.8642 -109304.5360 299.0971 -79.9693 -56.4583 760010.9759 18.0299 18.2033 PRESSURE: 1087400 -83.3884 -162.26 -150.199 -162.259 304.237 -94.8859 -150.199 -94.8858 -255.634 GPRESSURE: 1087400 14.5172 -216.175 -167.854 -134.221 270.879 -185.603 -187.042 -47.8533 -233.753 PRESSAVG: 1087400 51.4426 -4.90721 -28.6115 -4.9072 -64.6723 -63.442 -28.6115 -63.4419 -6.24729 GPRESSAVG: 1087400 50.6522 -6.4502 -29.6352 -2.95493 -64.4429 -64.2071 -29.2482 -65.2241 -6.25798 TIMING: 1087400 CPU: 3425.04, 0.0031605/step Wall: 3425.04, 0.0031605/step, 3.43494 hours remaining, 238.449219 MB of memory in use. ENERGY: 1087400 3968.3467 20437.1947 14495.0108 223.7522 -203376.3828 2657.3839 0.0000 0.0000 51935.8708 -109658.8237 298.4762 -161594.6945 -109290.7625 299.2775 -11.5951 17.2142 761026.7824 -6.4923 -6.6829 PRESSURE: 1087600 -180.864 174.86 60.5276 174.861 -299.958 55.6775 60.5278 55.6774 -65.446 GPRESSURE: 1087600 -147.849 144.619 76.7837 97.1493 -266.991 51.7013 9.60349 47.3294 -39.286 PRESSAVG: 1087600 46.3178 -4.8029 31.0726 -4.80291 -53.7328 -12.623 31.0726 -12.623 3.63299 GPRESSAVG: 1087600 46.6529 -3.87264 32.367 -4.93954 -53.8827 -12.1581 31.4629 -11.605 3.49108 TIMING: 1087600 CPU: 3425.67, 0.00316397/step Wall: 3425.67, 0.00316397/step, 3.43853 hours remaining, 238.449219 MB of memory in use. ENERGY: 1087600 4042.7691 20372.2785 14479.9433 236.9259 -203195.0595 2468.9540 0.0000 0.0000 52159.9061 -109434.2826 299.7637 -161594.1887 -109069.6783 299.1970 -182.0892 -151.3754 761284.8443 -1.2607 -1.2462 PRESSURE: 1087800 -89.8284 36.8088 288.047 36.8091 120.814 -92.6441 288.047 -92.6443 135.037 GPRESSURE: 1087800 -16.9265 81.9011 271.631 -27.5887 135.089 -144.338 225.607 12.6041 126.486 PRESSAVG: 1087800 -0.798665 -0.0647424 5.95266 -0.0647707 7.17034 7.53897 5.95263 7.53894 17.5739 GPRESSAVG: 1087800 -0.686104 -1.55226 4.77579 -1.33207 6.29863 8.54184 4.3233 9.01342 18.0317 TIMING: 1087800 CPU: 3426.3, 0.00315022/step Wall: 3426.3, 0.00315022/step, 3.42342 hours remaining, 238.449219 MB of memory in use. ENERGY: 1087800 3945.0836 20335.9974 14541.0082 248.5799 -203616.8521 2875.6240 0.0000 0.0000 52174.0278 -109496.5311 299.8449 -161670.5589 -109130.5335 299.3710 55.3410 81.5498 762103.9063 7.9819 7.8814 PRESSURE: 1088000 -182.661 -215.232 62.2738 -215.233 -35.8307 -14.6 62.2737 -14.5988 -389.117 GPRESSURE: 1088000 -79.1612 -87.4748 75.0117 -244.217 -59.9338 16.3628 212.607 -73.9014 -396.841 PRESSAVG: 1088000 -14.7976 -28.5571 -26.9011 -28.5572 -44.4931 -20.7389 -26.9011 -20.7389 10.7491 GPRESSAVG: 1088000 -14.1481 -27.4147 -27.0763 -27.7568 -44.9185 -22.1865 -25.2715 -20.1794 10.4054 TIMING: 1088000 CPU: 3426.93, 0.00315946/step Wall: 3426.93, 0.00315946/step, 3.43328 hours remaining, 238.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1088000 3990.2594 20304.8275 14563.2158 242.6951 -203138.4463 2394.9736 0.0000 0.0000 52153.1927 -109489.2823 299.7251 -161642.4751 -109123.9973 299.0531 -202.5364 -178.6455 762419.5862 -16.1806 -16.2204 PRESSURE: 1088200 22.8176 289.601 -3.42042 289.602 54.0711 58.0491 -3.421 58.0497 -348.866 GPRESSURE: 1088200 10.9637 155.833 148.176 237.157 99.654 55.4572 -131.187 73.5577 -299.11 PRESSAVG: 1088200 -12.9159 -45.8002 -3.3802 -45.8002 -30.1367 -10.5973 -3.38018 -10.5974 -8.34406 GPRESSAVG: 1088200 -13.1918 -44.4751 -0.900639 -48.4226 -29.9873 -10.6267 -5.88295 -11.7481 -7.99817 TIMING: 1088200 CPU: 3427.56, 0.00314664/step Wall: 3427.56, 0.00314664/step, 3.41917 hours remaining, 238.449219 MB of memory in use. ENERGY: 1088200 4013.9472 20361.3190 14578.0155 241.9822 -203490.7590 2930.4419 0.0000 0.0000 51910.9066 -109454.1465 298.3327 -161365.0531 -109094.8054 298.9057 -90.6589 -62.8306 762127.8730 -17.1322 -17.0591 LDB: ============= START OF LOAD BALANCING ============== 3439.96 LDB: ============== END OF LOAD BALANCING =============== 3439.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3439.96 LDB: ============= START OF LOAD BALANCING ============== 3440.28 LDB: Largest compute 7035 load 0.033140 is 16.9% of average load 0.195928 LDB: Average compute 0.004377 is 2.2% of average load 0.195928 LDB: TIME 3440.28 LOAD: AVG 0.195928 MAX 0.211783 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.23 MB LDB: TIME 3440.28 LOAD: AVG 0.195928 MAX 0.211783 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.434 MB LDB: TIME 3440.28 LOAD: AVG 0.195928 MAX 0.211783 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.434 MB LDB: ============== END OF LOAD BALANCING =============== 3440.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3440.29 PRESSURE: 1088400 -14.7484 -143.797 -32.2386 -143.797 11.3947 -224.23 -32.2397 -224.229 138.255 GPRESSURE: 1088400 7.88415 -218.382 -22.9522 -116.716 81.7437 -183.056 89.7163 -122.367 139.162 PRESSAVG: 1088400 116.176 -12.9408 38.9467 -12.9408 -70.2706 -80.6087 38.9467 -80.6087 -2.84018 GPRESSAVG: 1088400 115.533 -14.8149 34.8299 -9.61936 -68.4973 -80.358 41.2717 -80.988 -3.18292 TIMING: 1088400 CPU: 3428.21, 0.00322005/step Wall: 3428.21, 0.00322005/step, 3.49876 hours remaining, 238.363281 MB of memory in use. ENERGY: 1088400 3950.7865 20442.5968 14541.1542 222.4324 -203371.2275 2660.1100 0.0000 0.0000 52096.1311 -109458.0166 299.3972 -161554.1476 -109106.0087 298.9066 44.9670 76.2633 759083.5387 14.3550 14.6175 PRESSURE: 1088600 -69.8109 45.7932 145.847 45.7926 -245.167 85.2013 145.846 85.2017 -304.383 GPRESSURE: 1088600 -119.305 -17.2035 225.363 -28.1117 -161.586 92.9266 132.133 4.93436 -276.266 PRESSAVG: 1088600 63.1515 -25.6545 20.8342 -25.6544 -82.0556 23.3687 20.8342 23.3687 15.3574 GPRESSAVG: 1088600 63.6448 -24.6328 25.3234 -26.5229 -83.4363 22.0634 20.6814 23.2439 16.0899 TIMING: 1088600 CPU: 3428.83, 0.00314006/step Wall: 3428.83, 0.00314006/step, 3.41168 hours remaining, 238.726562 MB of memory in use. ENERGY: 1088600 4023.2556 20518.8965 14563.8851 252.0345 -203551.1853 2458.3944 0.0000 0.0000 52200.7206 -109533.9986 299.9983 -161734.7192 -109182.4958 298.8169 -206.4536 -185.7191 760228.6005 -1.1822 -1.2338 PRESSURE: 1088800 -58.837 12.3225 -237.178 12.322 61.8512 -30.3931 -237.178 -30.3933 -288.4 GPRESSURE: 1088800 -134.772 2.76486 -308.302 91.1585 155.057 -21.2936 -186.533 -21.9818 -212.523 PRESSAVG: 1088800 38.9168 5.18188 28.381 5.18191 -62.5076 11.4052 28.381 11.4052 3.057 GPRESSAVG: 1088800 36.7791 5.5466 24.7292 4.0011 -61.1239 12.3205 29.0658 12.283 3.95959 TIMING: 1088800 CPU: 3429.46, 0.00314052/step Wall: 3429.46, 0.00314052/step, 3.412 hours remaining, 238.726562 MB of memory in use. ENERGY: 1088800 3967.8035 20599.8445 14534.0766 265.8291 -203498.5420 2593.0297 0.0000 0.0000 52042.4553 -109495.5033 299.0887 -161537.9586 -109137.0037 299.2760 -95.1284 -64.0793 760880.6792 -6.8446 -6.7951 PRESSURE: 1089000 -228.3 14.8688 -35.6772 14.8688 -261.884 65.5345 -35.6765 65.5352 2.87683 GPRESSURE: 1089000 -147.764 -33.1836 -115.419 3.12986 -220.223 131.872 -65.1642 72.5374 -26.2193 PRESSAVG: 1089000 40.5522 -31.5342 -25.7224 -31.5341 -11.5866 -31.087 -25.7224 -31.087 -8.17897 GPRESSAVG: 1089000 43.202 -34.2403 -25.1835 -29.5685 -12.6082 -29.367 -26.5207 -32.4005 -9.41117 TIMING: 1089000 CPU: 3430.09, 0.0031357/step Wall: 3430.09, 0.0031357/step, 3.40659 hours remaining, 238.714844 MB of memory in use. ENERGY: 1089000 4030.7333 20575.0536 14535.5033 254.1012 -203396.3534 2571.3426 0.0000 0.0000 51932.3511 -109497.2683 298.4559 -161429.6194 -109145.4624 299.5381 -162.4357 -131.4020 760634.4124 6.9289 7.0609 PRESSURE: 1089200 185.967 -55.4934 125.276 -55.4937 -246.576 97.0947 125.276 97.0949 -75.3136 GPRESSURE: 1089200 169.1 -68.0554 181.435 -82.759 -199.794 83.5021 79.3821 123.835 -42.6941 PRESSAVG: 1089200 0.937236 -43.6781 -2.16772 -43.6781 -33.1877 3.52526 -2.16775 3.52525 0.401239 GPRESSAVG: 1089200 0.426363 -43.2449 -1.60648 -42.9946 -33.0637 1.87488 -1.71271 4.19562 0.667724 TIMING: 1089200 CPU: 3430.72, 0.003149/step Wall: 3430.72, 0.003149/step, 3.42087 hours remaining, 238.707031 MB of memory in use. ENERGY: 1089200 4031.9657 20530.4847 14514.8423 259.6492 -203526.5119 2688.2838 0.0000 0.0000 52319.0578 -109182.2284 300.6783 -161501.2863 -108818.0021 299.8925 -45.3075 -24.4629 760258.1395 -10.6164 -10.6565 PRESSURE: 1089400 -154.66 -132.853 27.0316 -132.852 -544.02 142.503 27.0325 142.503 -718.461 GPRESSURE: 1089400 -169.775 -167.288 9.16361 -182.589 -496.44 140.382 -17.2659 154.803 -654.73 PRESSAVG: 1089400 27.9064 -73.5824 -9.07237 -73.5825 -30.4006 6.68129 -9.07239 6.68124 10.5275 GPRESSAVG: 1089400 25.3937 -72.9201 -8.7697 -74.5394 -29.486 7.29623 -8.98704 7.31814 11.7329 TIMING: 1089400 CPU: 3431.35, 0.00316757/step Wall: 3431.35, 0.00316757/step, 3.44086 hours remaining, 238.707031 MB of memory in use. ENERGY: 1089400 4013.6089 20478.2248 14489.1865 241.9026 -202832.1611 2181.4631 0.0000 0.0000 52343.5172 -109084.2580 300.8189 -161427.7752 -108720.3139 300.0720 -472.3802 -440.3151 761821.9419 2.6778 2.5469 PRESSURE: 1089600 62.4701 35.328 -99.0411 35.3289 -237.646 -74.7931 -99.0411 -74.793 114.515 GPRESSURE: 1089600 43.9026 126.756 -126.609 -110.987 -204.478 -153.902 4.03528 -86.9017 189.988 PRESSAVG: 1089600 -71.5942 -31.9704 10.673 -31.9704 44.6773 74.8845 10.6731 74.8845 0.721374 GPRESSAVG: 1089600 -70.2668 -30.2484 11.186 -34.5244 44.1588 73.331 9.84174 75.8664 -0.556824 TIMING: 1089600 CPU: 3431.99, 0.00316313/step Wall: 3431.99, 0.00316313/step, 3.43586 hours remaining, 238.726562 MB of memory in use. ENERGY: 1089600 3980.0945 20402.8392 14490.7217 266.9256 -202626.9190 2276.7870 0.0000 0.0000 52247.9340 -108961.6169 300.2696 -161209.5509 -108594.5740 300.1198 -20.2203 9.8043 762339.9515 -8.7318 -8.8883 PRESSURE: 1089800 95.5796 66.1941 112.521 66.1933 82.5092 -102.542 112.521 -102.542 327.664 GPRESSURE: 1089800 79.1657 -32.2298 110.327 69.2465 171.209 -107.599 129.759 -162.678 351.738 PRESSAVG: 1089800 52.6013 21.3808 -9.71246 21.3809 -51.4549 0.525754 -9.71252 0.525653 -10.4373 GPRESSAVG: 1089800 53.5289 20.4073 -9.9628 23.4818 -52.8753 2.59936 -8.03069 -0.361323 -9.6446 TIMING: 1089800 CPU: 3432.62, 0.00315382/step Wall: 3432.62, 0.00315381/step, 3.42557 hours remaining, 238.726562 MB of memory in use. ENERGY: 1089800 4036.5001 20633.0012 14472.4301 259.4541 -203212.2274 2648.1830 0.0000 0.0000 52073.2001 -109089.4587 299.2654 -161162.6588 -108725.8115 300.0122 168.5842 200.7043 762384.9201 -3.0970 -2.9970 PRESSURE: 1090000 -142.93 -37.9104 -4.56577 -37.9104 -296.291 79.8091 -4.56681 79.8095 -229.12 GPRESSURE: 1090000 -44.9839 -50.9763 -45.3562 -48.6769 -302.109 90.2929 3.09636 141.244 -238.652 PRESSAVG: 1090000 9.60733 72.3257 17.4408 72.3257 -23.0621 0.641306 17.4408 0.641301 9.39158 GPRESSAVG: 1090000 8.96806 71.9352 16.414 72.4568 -22.5662 0.446377 15.6223 -0.466971 9.98588 TIMING: 1090000 CPU: 3433.25, 0.00314648/step Wall: 3433.25, 0.00314648/step, 3.41742 hours remaining, 238.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1090000 4040.0530 20614.4943 14499.3941 250.1694 -203238.4449 2602.0177 0.0000 0.0000 52101.7764 -109130.5399 299.4296 -161232.3163 -108761.0000 300.3367 -222.7803 -195.2482 762250.2341 -1.3544 -1.2041 PRESSURE: 1090200 295.186 7.26496 181.24 7.26521 87.2173 -248.849 181.241 -248.85 88.3954 GPRESSURE: 1090200 247.7 -20.0491 194.759 45.9916 183.396 -204.898 203.58 -301.949 131.672 PRESSAVG: 1090200 38.7151 5.65757 34.47 5.65759 2.37873 -22.1653 34.47 -22.1653 14.4145 GPRESSAVG: 1090200 38.7599 5.63642 35.0982 4.66021 2.66146 -20.1274 35.5525 -24.0227 14.6931 TIMING: 1090200 CPU: 3433.87, 0.00313396/step Wall: 3433.87, 0.00313396/step, 3.40365 hours remaining, 238.730469 MB of memory in use. ENERGY: 1090200 4067.0764 20430.8869 14490.9721 235.1549 -203236.7870 2508.7273 0.0000 0.0000 52157.0492 -109346.9202 299.7473 -161503.9694 -108964.9814 299.8292 156.9329 187.5892 760846.6376 18.5028 18.7048 PRESSURE: 1090400 -44.3704 -57.7539 150.997 -57.7545 163.67 -88.183 150.996 -88.1847 -337.137 GPRESSURE: 1090400 67.1947 -58.2792 -2.29049 -46.6557 57.7361 -59.3389 121.77 -19.7061 -262.664 PRESSAVG: 1090400 21.1926 -60.2252 56.7372 -60.2252 -14.0464 10.4001 56.7372 10.4002 14.862 GPRESSAVG: 1090400 21.8543 -60.382 57.7401 -59.1873 -14.4297 6.93538 56.1433 11.841 14.5629 TIMING: 1090400 CPU: 3434.5, 0.00313758/step Wall: 3434.5, 0.00313759/step, 3.40742 hours remaining, 238.742188 MB of memory in use. ENERGY: 1090400 4027.9085 20548.0793 14502.2374 246.4147 -203612.0656 2728.1810 0.0000 0.0000 52129.1295 -109430.1152 299.5868 -161559.2448 -109075.4503 299.7907 -72.6123 -45.9110 760766.4508 7.3361 7.3292 PRESSURE: 1090600 -78.8592 -172.432 164.074 -172.432 -213.472 -437.623 164.073 -437.623 -237.609 GPRESSURE: 1090600 -7.59809 -16.6254 138.631 -106.622 -168.926 -369.012 93.1345 -389.127 -245.678 PRESSAVG: 1090600 16.217 -19.1776 11.2333 -19.1776 6.01913 -45.7498 11.2333 -45.7499 -7.42634 GPRESSAVG: 1090600 15.2603 -18.6503 8.42765 -18.2157 7.08815 -43.0642 11.6112 -47.2084 -6.56609 TIMING: 1090600 CPU: 3435.13, 0.00313544/step Wall: 3435.13, 0.00313544/step, 3.40491 hours remaining, 238.750000 MB of memory in use. ENERGY: 1090600 3934.0067 20483.1861 14504.1297 239.2369 -203210.3092 2449.7274 0.0000 0.0000 52134.4678 -109465.5546 299.6175 -161600.0224 -109104.2507 299.3874 -176.6468 -140.7340 761445.5898 4.9366 5.2608 PRESSURE: 1090800 170.5 -83.0232 -11.9003 -83.0226 -60.6694 97.5754 -11.9006 97.5746 448.755 GPRESSURE: 1090800 167.433 -56.5925 -49.4665 -53.8542 17.0544 71.137 126.344 86.6716 477.004 PRESSAVG: 1090800 36.9249 -10.4824 22.0938 -10.4824 -19.7576 38.4086 22.0938 38.4087 16.69 GPRESSAVG: 1090800 37.9209 -10.6529 22.2381 -11.2894 -19.2646 35.9848 23.7463 38.9307 15.5196 TIMING: 1090800 CPU: 3435.76, 0.00314381/step Wall: 3435.76, 0.00314382/step, 3.41383 hours remaining, 238.746094 MB of memory in use. ENERGY: 1090800 3965.8768 20405.2922 14412.1165 241.1602 -203193.1645 2478.3743 0.0000 0.0000 52197.8866 -109492.4580 299.9820 -161690.3446 -109126.8684 299.6186 186.1952 220.4972 760486.3442 11.2858 11.3920 PRESSURE: 1091000 -166.528 -114.612 -29.7338 -114.611 271.701 -91.0171 -29.7335 -91.0173 186.939 GPRESSURE: 1091000 -62.1854 -148.126 -53.4196 -157.721 222.583 -72.5366 16.1271 0.0227104 209.252 PRESSAVG: 1091000 -23.8329 -19.8156 67.4033 -19.8156 1.40908 -36.9454 67.4033 -36.9454 -22.1192 GPRESSAVG: 1091000 -23.9974 -19.6903 68.0308 -17.9649 1.63559 -36.4522 65.5041 -34.3337 -21.8826 TIMING: 1091000 CPU: 3436.39, 0.00315085/step Wall: 3436.39, 0.00315085/step, 3.4213 hours remaining, 238.746094 MB of memory in use. ENERGY: 1091000 3931.7520 20435.8152 14507.5139 249.9687 -203341.0137 2504.9539 0.0000 0.0000 52070.8821 -109640.1280 299.2521 -161711.0101 -109274.6835 299.3702 97.3706 123.2166 760573.9666 -14.8477 -14.7481 PRESSURE: 1091200 -206.777 328.011 209.816 328.012 -191.936 -109.078 209.816 -109.079 200.476 GPRESSURE: 1091200 -233.77 269.271 188.265 145.893 -114.823 -129.529 248.652 -189.835 245.713 PRESSAVG: 1091200 50.1347 -82.937 2.76924 -82.937 -34.4031 -18.7015 2.76923 -18.7014 16.4504 GPRESSAVG: 1091200 50.2341 -83.8825 4.13035 -85.0447 -33.9158 -18.7614 1.47333 -21.4428 16.3525 TIMING: 1091200 CPU: 3437.01, 0.00313033/step Wall: 3437.01, 0.00313033/step, 3.39884 hours remaining, 238.750000 MB of memory in use. ENERGY: 1091200 3936.5185 20371.0291 14488.8161 235.7952 -203475.1140 2373.3156 0.0000 0.0000 52072.4499 -109997.1895 299.2611 -162069.6394 -109633.9964 298.6456 -66.0791 -34.2936 758134.8173 10.7273 10.8903 PRESSURE: 1091400 22.6918 -217.339 -176.239 -217.338 187.619 -8.20871 -176.239 -8.20825 193.043 GPRESSURE: 1091400 -5.54193 -232.837 -85.3794 -192.989 272.623 -42.7093 -95.6894 24.1356 204.321 PRESSAVG: 1091400 47.7397 12.9833 -4.84551 12.9834 -88.1582 -24.5212 -4.84557 -24.5212 -18.5631 GPRESSAVG: 1091400 47.54 12.3567 -5.75259 12.9564 -87.6856 -25.5596 -4.07729 -24.9291 -18.5667 TIMING: 1091400 CPU: 3437.64, 0.00314594/step Wall: 3437.64, 0.00314594/step, 3.41562 hours remaining, 238.750000 MB of memory in use. ENERGY: 1091400 3984.6839 20547.0896 14354.3035 249.4127 -203679.0776 2606.5249 0.0000 0.0000 51983.0552 -109954.0079 298.7473 -161937.0631 -109585.2954 298.7686 134.4514 157.1340 759087.2625 -19.6605 -19.5708 PRESSURE: 1091600 56.7854 36.1075 -63.4236 36.1066 -118.267 -15.8012 -63.423 -15.8005 -637.995 GPRESSURE: 1091600 42.756 -14.8911 62.2006 50.7624 -96.6454 -62.544 -78.3618 42.5157 -576.599 PRESSAVG: 1091600 -23.0153 -30.3581 -50.5112 -30.3581 15.399 -29.6209 -50.5112 -29.6211 15.6335 GPRESSAVG: 1091600 -22.9326 -31.0601 -49.888 -28.5488 14.4114 -28.8829 -50.116 -28.2731 15.7724 TIMING: 1091600 CPU: 3438.27, 0.0031648/step Wall: 3438.27, 0.0031648/step, 3.43592 hours remaining, 238.750000 MB of memory in use. ENERGY: 1091600 4002.0289 20412.3124 14442.7657 251.5483 -202996.7698 1850.6704 0.0000 0.0000 52161.0120 -109876.4320 299.7701 -162037.4440 -109516.4215 298.3489 -233.1586 -210.1628 758617.1324 2.6724 2.4171 PRESSURE: 1091800 -135.305 107.563 -88.4616 107.564 -192.816 -211.993 -88.4616 -211.992 -55.3042 GPRESSURE: 1091800 16.2692 42.4389 -17.5674 39.8986 -201.393 -257.738 94.8308 -151.411 -112.511 PRESSAVG: 1091800 12.294 26.1515 14.5116 26.1515 -0.0613548 3.59561 14.5117 3.5955 0.650242 GPRESSAVG: 1091800 12.4732 26.1534 15.0078 25.0442 -1.07932 3.78453 15.9307 4.41258 1.69839 TIMING: 1091800 CPU: 3438.91, 0.00317957/step Wall: 3438.91, 0.00317957/step, 3.45178 hours remaining, 238.750000 MB of memory in use. ENERGY: 1091800 3914.2239 20701.6909 14545.9645 245.4400 -203137.6213 2253.9961 0.0000 0.0000 51672.8609 -109803.4451 296.9646 -161476.3059 -109450.1057 298.7838 -127.8085 -99.2117 760776.8708 4.2943 4.3641 PRESSURE: 1092000 -203.25 -15.9378 56.1081 -15.9379 -487.588 52.0574 56.1082 52.0557 -497.403 GPRESSURE: 1092000 -271.199 81.0783 -19.5162 74.4961 -411.471 58.1237 102.568 110.209 -436.277 PRESSAVG: 1092000 -23.2554 -50.8129 26.2934 -50.8129 -16.5428 -32.483 26.2933 -32.4829 21.7388 GPRESSAVG: 1092000 -23.8472 -50.473 25.7991 -51.4308 -15.1807 -33.1507 25.3924 -32.0568 20.991 TIMING: 1092000 CPU: 3439.54, 0.0031573/step Wall: 3439.54, 0.0031573/step, 3.42743 hours remaining, 238.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1092000 3991.9796 20392.1255 14441.4028 237.5172 -203061.2818 2271.4674 0.0000 0.0000 52148.5438 -109578.2457 299.6984 -161726.7894 -109216.3973 299.0144 -396.0804 -372.9825 762210.9044 -6.0198 -6.0123 PRESSURE: 1092200 112.767 134.954 -61.7329 134.954 0.430776 -53.2527 -61.7322 -53.2529 267.672 GPRESSURE: 1092200 179.545 67.7739 -101.135 59.895 49.4718 -175.991 65.1176 -45.7647 251.789 PRESSAVG: 1092200 18.9546 -55.0196 -21.4996 -55.0196 -4.01202 8.14089 -21.4996 8.14085 -12.0825 GPRESSAVG: 1092200 20.3377 -54.0538 -22.729 -54.6306 -5.00357 8.09956 -20.7999 6.30816 -11.5319 TIMING: 1092200 CPU: 3440.17, 0.00315918/step Wall: 3440.17, 0.00315918/step, 3.42929 hours remaining, 238.750000 MB of memory in use. ENERGY: 1092200 3958.1986 20291.2892 14435.0436 260.3073 -203799.5438 2805.5420 0.0000 0.0000 52534.6976 -109514.4654 301.9176 -162049.1630 -109145.4313 299.6820 126.9568 160.2687 760258.0499 0.9533 1.2674 LDB: ============= START OF LOAD BALANCING ============== 3452.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3452.57 LDB: =============== DONE WITH MIGRATION ================ 3452.57 LDB: ============= START OF LOAD BALANCING ============== 3452.89 LDB: Largest compute 7035 load 0.033864 is 17.3% of average load 0.195852 LDB: Average compute 0.004403 is 2.2% of average load 0.195852 LDB: TIME 3452.89 LOAD: AVG 0.195852 MAX 0.214846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.531 MB LDB: TIME 3452.89 LOAD: AVG 0.195852 MAX 0.214846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: TIME 3452.89 LOAD: AVG 0.195852 MAX 0.214846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: ============== END OF LOAD BALANCING =============== 3452.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3452.9 PRESSURE: 1092400 -176.932 -55.2301 -129.194 -55.2284 -367.18 -69.3856 -129.194 -69.3866 -286.518 GPRESSURE: 1092400 -225.618 -201.942 -246.47 -97.9262 -289.758 -9.39662 -154.843 -58.1068 -210.471 PRESSAVG: 1092400 25.8026 -46.3086 -16.1415 -46.3085 -11.6416 -16.6232 -16.1414 -16.6231 -10.0028 GPRESSAVG: 1092400 25.4362 -47.5312 -16.722 -46.7788 -11.405 -17.3749 -17.2433 -16.5435 -9.85785 TIMING: 1092400 CPU: 3440.81, 0.00320698/step Wall: 3440.81, 0.00320698/step, 3.481 hours remaining, 237.503906 MB of memory in use. ENERGY: 1092400 4058.1660 20256.3870 14464.9768 204.6790 -203114.0095 2221.6010 0.0000 0.0000 52259.1239 -109649.0758 300.3339 -161908.1997 -109281.9548 299.5039 -276.8766 -241.9486 760578.3449 1.3860 1.3911 PRESSURE: 1092600 -82.4583 131.911 260.302 131.912 -48.6581 -44.1221 260.303 -44.1223 170.973 GPRESSURE: 1092600 -57.9213 43.5044 260.007 45.2722 -34.7318 -135.693 247.548 -25.2847 242.547 PRESSAVG: 1092600 39.0575 -36.6584 12.8812 -36.6584 -19.1675 -57.0269 12.8812 -57.0269 17.1809 GPRESSAVG: 1092600 39.6357 -36.5846 13.3853 -36.0674 -19.0864 -57.325 13.7223 -56.7839 16.2799 TIMING: 1092600 CPU: 3441.45, 0.00316531/step Wall: 3441.45, 0.00316531/step, 3.4356 hours remaining, 237.539062 MB of memory in use. ENERGY: 1092600 4034.9302 20453.6024 14464.1547 267.7360 -203078.9857 2374.3983 0.0000 0.0000 51949.7273 -109534.4368 298.5558 -161484.1640 -109168.1256 299.0414 13.2856 49.9646 760270.5559 12.3570 12.2764 PRESSURE: 1092800 147.694 82.6347 80.9326 82.6339 -221.313 56.6055 80.9321 56.6057 136.439 GPRESSURE: 1092800 184.585 158.298 -51.4571 157.112 -136.555 132.712 132.794 -20.1408 87.8543 PRESSAVG: 1092800 58.4347 -6.13242 5.97853 -6.13241 -68.196 -32.6693 5.9785 -32.6693 22.1382 GPRESSAVG: 1092800 57.5681 -6.38914 6.70746 -4.74003 -68.2603 -31.2165 6.26817 -33.5623 23.2139 TIMING: 1092800 CPU: 3442.08, 0.00315448/step Wall: 3442.08, 0.00315448/step, 3.42366 hours remaining, 237.539062 MB of memory in use. ENERGY: 1092800 4051.6407 20541.3162 14384.6021 267.3721 -203714.0471 2785.3350 0.0000 0.0000 52290.5422 -109393.2388 300.5145 -161683.7811 -109028.6441 299.1313 20.9401 45.2949 760916.1974 4.1256 4.1739 PRESSURE: 1093000 41.0433 -78.3551 78.9438 -78.3544 -53.9384 -338.315 78.9434 -338.315 94.6574 GPRESSURE: 1093000 70.4128 -140.85 135.329 -45.5485 -42.9788 -345.089 63.8986 -87.3612 125.38 PRESSAVG: 1093000 -0.0235533 4.16703 -30.2739 4.16705 -16.8976 31.5961 -30.2739 31.5961 31.0211 GPRESSAVG: 1093000 0.911255 4.35796 -30.3133 2.11013 -16.9667 32.1126 -31.7376 31.8077 30.141 TIMING: 1093000 CPU: 3442.71, 0.0031791/step Wall: 3442.71, 0.0031791/step, 3.45021 hours remaining, 237.539062 MB of memory in use. ENERGY: 1093000 3934.0345 20585.7591 14470.0182 236.6973 -203382.8870 2469.8819 0.0000 0.0000 52104.0882 -109582.4077 299.4429 -161686.4959 -109220.2795 299.3272 27.2541 50.9380 760716.8473 4.7000 4.6952 PRESSURE: 1093200 -339.321 -70.34 39.3563 -70.3401 -166.581 8.96205 39.3574 8.96165 257.89 GPRESSURE: 1093200 -283.816 -143.996 155.19 -64.6459 -131.509 41.3273 -26.5282 -36.815 239.897 PRESSAVG: 1093200 37.212 29.8128 -21.3863 29.8128 -26.808 -97.0272 -21.3862 -97.0273 -1.38843 GPRESSAVG: 1093200 36.0374 32.3438 -20.4076 29.8067 -25.2895 -97.4614 -23.0191 -94.2425 -1.54945 TIMING: 1093200 CPU: 3443.34, 0.00315196/step Wall: 3443.34, 0.00315196/step, 3.42058 hours remaining, 237.539062 MB of memory in use. ENERGY: 1093200 3964.1243 20476.1014 14509.6304 227.3111 -203345.4130 2382.9329 0.0000 0.0000 51964.5011 -109820.8118 298.6407 -161785.3129 -109448.5175 298.9339 -82.6708 -58.4758 760796.9974 3.0052 3.0661 PRESSURE: 1093400 56.3686 -70.7217 -325.401 -70.721 -41.9606 8.04493 -325.401 8.04431 -4.3186 GPRESSURE: 1093400 129.152 -89.7818 -340.448 -53.1398 32.2761 17.7292 -197.566 3.25262 -73.8131 PRESSAVG: 1093400 22.8067 -65.937 -72.4026 -65.937 -19.9938 6.84762 -72.4027 6.84755 12.5273 GPRESSAVG: 1093400 24.65 -69.0439 -73.5686 -63.3985 -22.0763 7.64136 -68.4034 4.98017 12.9093 TIMING: 1093400 CPU: 3443.98, 0.00315275/step Wall: 3443.98, 0.00315275/step, 3.42126 hours remaining, 237.539062 MB of memory in use. ENERGY: 1093400 4026.1482 20428.5988 14452.2494 239.9631 -203567.1311 2668.8725 0.0000 0.0000 51814.3554 -109936.9437 297.7778 -161751.2991 -109574.8146 298.7268 3.3631 29.2050 759742.2172 5.1134 5.1610 PRESSURE: 1093600 -49.2323 59.4495 197.523 59.4493 95.8335 -19.6467 197.523 -19.6469 199.371 GPRESSURE: 1093600 -21.3307 -89.6456 287.764 59.7182 119.851 54.8636 78.7786 -18.541 223.132 PRESSAVG: 1093600 18.4362 -39.3527 -32.6621 -39.3527 27.2095 -35.4635 -32.6621 -35.4635 15.4719 GPRESSAVG: 1093600 17.48 -37.6345 -32.4577 -41.4611 27.7317 -36.1865 -32.1884 -35.7663 15.1507 TIMING: 1093600 CPU: 3444.61, 0.00317938/step Wall: 3444.61, 0.00317938/step, 3.44998 hours remaining, 237.539062 MB of memory in use. ENERGY: 1093600 3922.3793 20525.1292 14363.6573 247.1341 -203617.7866 2605.1235 0.0000 0.0000 52041.9549 -109912.4082 299.0858 -161954.3631 -109547.5195 298.4722 81.9906 107.2173 761555.6892 20.3725 20.1208 PRESSURE: 1093800 122.831 -57.3653 133.54 -57.3657 116.211 157.929 133.541 157.929 249.202 GPRESSURE: 1093800 221.15 -6.89565 95.4264 -50.1311 97.2015 217.157 120.585 -35.9863 267.502 PRESSAVG: 1093800 21.9254 -62.6612 -9.03634 -62.6612 36.4715 -28.9193 -9.03636 -28.9193 -9.19807 GPRESSAVG: 1093800 22.227 -62.688 -9.17249 -63.0779 37.2436 -29.2888 -9.27299 -29.2069 -9.30582 TIMING: 1093800 CPU: 3445.25, 0.00317594/step Wall: 3445.25, 0.00317594/step, 3.44607 hours remaining, 237.539062 MB of memory in use. ENERGY: 1093800 3976.9598 20428.3192 14502.3965 236.5099 -203790.7891 2630.6034 0.0000 0.0000 51988.1667 -110027.8337 298.7767 -162016.0004 -109671.3220 298.1561 162.7483 195.2843 760534.5180 16.3996 16.7216 PRESSURE: 1094000 -34.1647 -119.717 -71.5927 -119.716 -203.776 -173.742 -71.5926 -173.742 -248.939 GPRESSURE: 1094000 6.66071 -90.96 -127.452 -111.979 -226.71 -195.689 47.0178 -104.122 -213.241 PRESSAVG: 1094000 -8.97089 -16.8838 42.7772 -16.8838 -10.4835 24.6919 42.7772 24.6919 -18.973 GPRESSAVG: 1094000 -8.99972 -17.1197 42.8982 -16.8216 -11.375 24.2612 41.1015 26.0816 -18.0528 TIMING: 1094000 CPU: 3445.88, 0.00318671/step Wall: 3445.88, 0.00318671/step, 3.45758 hours remaining, 237.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1094000 3943.8454 20337.4232 14468.6072 250.7481 -203387.4922 2358.6641 0.0000 0.0000 51857.2288 -110170.9753 298.0242 -162028.2041 -109804.7078 297.4951 -162.2934 -144.4300 759674.6522 -12.8092 -12.8092 PRESSURE: 1094200 -77.4997 41.9498 54.0633 41.9497 -183.565 119.144 54.0632 119.143 -237.232 GPRESSURE: 1094200 -69.1427 -31.778 -6.07988 13.0302 -94.0632 59.9054 -31.8206 207.187 -252.643 PRESSAVG: 1094200 33.3333 -23.9489 -85.0948 -23.9489 -4.03703 12.4974 -85.0947 12.4973 24.7405 GPRESSAVG: 1094200 33.0896 -24.0428 -85.3123 -23.1963 -3.36855 14.0751 -84.8147 13.0294 24.0872 TIMING: 1094200 CPU: 3446.52, 0.00318808/step Wall: 3446.52, 0.00318808/step, 3.45889 hours remaining, 237.539062 MB of memory in use. ENERGY: 1094200 4001.2936 20469.1232 14438.8750 254.6697 -203477.6604 2607.9356 0.0000 0.0000 51685.8350 -110019.9283 297.0392 -161705.7633 -109668.3437 298.0817 -166.0992 -138.6163 761262.2605 18.0123 17.9361 PRESSURE: 1094400 -127.906 -34.9908 -83.1638 -34.9909 -66.3067 299.972 -83.1643 299.973 -287.09 GPRESSURE: 1094400 -65.4164 -58.0701 -0.220072 69.4914 -56.8933 220.061 -51.3168 202.818 -275.956 PRESSAVG: 1094400 31.4324 -76.6141 -10.1973 -76.614 -39.8591 16.0125 -10.1973 16.0125 -5.98273 GPRESSAVG: 1094400 30.8302 -77.1348 -12.2793 -75.4649 -40.0481 14.8083 -9.57717 16.786 -5.02187 TIMING: 1094400 CPU: 3447.16, 0.00317917/step Wall: 3447.16, 0.00317917/step, 3.44905 hours remaining, 237.539062 MB of memory in use. ENERGY: 1094400 4023.6708 20597.5103 14488.8524 253.4765 -203312.9591 2322.5381 0.0000 0.0000 51800.0902 -109826.8207 297.6958 -161626.9110 -109466.6257 298.5304 -160.4342 -132.7552 760993.8172 -4.8032 -4.7466 PRESSURE: 1094600 384.94 213.273 -210.345 213.273 426.467 -91.2994 -210.345 -91.3008 201.359 GPRESSURE: 1094600 404.663 152.068 -69.6099 180.895 436.537 1.67859 -213.926 3.58248 232.623 PRESSAVG: 1094600 34.6465 36.472 -28.2105 36.472 -10.2606 -33.6504 -28.2105 -33.6505 -17.8948 GPRESSAVG: 1094600 35.0254 37.1366 -25.6202 34.2287 -10.6419 -33.0359 -26.9918 -35.4314 -18.094 TIMING: 1094600 CPU: 3447.79, 0.00315665/step Wall: 3447.79, 0.00315665/step, 3.42443 hours remaining, 237.539062 MB of memory in use. ENERGY: 1094600 3977.3935 20563.7637 14489.3362 234.7193 -204190.9855 3223.4655 0.0000 0.0000 51961.6528 -109740.6546 298.6243 -161702.3074 -109369.2302 299.0810 337.5887 357.9411 760174.7290 2.1637 2.0965 PRESSURE: 1094800 278.054 138.067 -75.7954 138.066 118.467 88.3961 -75.7958 88.3962 -3.28949 GPRESSURE: 1094800 236.442 35.0595 -38.3187 152.988 157.462 49.9647 -61.2505 96.1401 82.7299 PRESSAVG: 1094800 16.6035 19.2866 54.4001 19.2866 -34.8008 -49.9406 54.4 -49.9405 -16.8548 GPRESSAVG: 1094800 15.5109 20.2002 52.0182 17.7021 -33.512 -50.2773 54.2062 -49.5791 -16.8853 TIMING: 1094800 CPU: 3448.42, 0.00315957/step Wall: 3448.42, 0.00315956/step, 3.42743 hours remaining, 237.539062 MB of memory in use. ENERGY: 1094800 4008.9771 20543.7227 14427.1608 261.7571 -203818.8885 3013.6630 0.0000 0.0000 52142.1464 -109421.4613 299.6616 -161563.6078 -109049.2258 298.8789 131.0771 158.8779 760688.3159 -11.6840 -11.6288 PRESSURE: 1095000 345.118 -31.2373 23.0839 -31.2371 215.001 64.4405 23.0833 64.4396 -219.645 GPRESSURE: 1095000 391.934 -15.1551 123.765 -117.795 237.241 94.3399 -6.91232 -38.6559 -215.796 PRESSAVG: 1095000 4.15145 -20.2374 -9.86787 -20.2373 16.1838 -12.8452 -9.86785 -12.8453 4.88945 GPRESSAVG: 1095000 5.46465 -21.6045 -9.21083 -19.4173 15.293 -12.8908 -11.5864 -13.722 4.21983 TIMING: 1095000 CPU: 3449.05, 0.00316523/step Wall: 3449.05, 0.00316523/step, 3.4334 hours remaining, 237.539062 MB of memory in use. ENERGY: 1095000 3975.7668 20569.0328 14423.1881 227.3817 -203433.2772 2633.2972 0.0000 0.0000 52263.7217 -109340.8890 300.3603 -161604.6107 -108985.5696 299.6870 113.4914 137.7928 760165.1083 8.4082 8.3258 PRESSURE: 1095200 -122.403 146.884 -166.966 146.884 -70.9721 -269.374 -166.966 -269.375 -188.146 GPRESSURE: 1095200 -73.1694 204.127 -167.531 156.409 -20.5357 -213.124 -73.7311 -302.94 -201.82 PRESSAVG: 1095200 -50.1357 -13.7655 -84.8884 -13.7654 12.2 -24.4365 -84.8884 -24.4366 12.704 GPRESSAVG: 1095200 -50.0291 -14.2827 -84.9563 -13.4902 12.0231 -25.3854 -84.9777 -22.102 13.3778 TIMING: 1095200 CPU: 3449.69, 0.00316145/step Wall: 3449.69, 0.00316145/step, 3.42912 hours remaining, 237.539062 MB of memory in use. ENERGY: 1095200 4048.4224 20624.7819 14453.9039 266.2597 -203682.4568 2872.4459 0.0000 0.0000 52095.3566 -109321.2864 299.3927 -161416.6430 -108953.7886 299.7811 -127.1739 -98.5085 761402.7475 -8.4105 -8.2094 PRESSURE: 1095400 1.61404 -35.4309 -107.034 -35.4303 110.439 -100.623 -107.033 -100.623 320.024 GPRESSURE: 1095400 68.8075 -25.0447 -54.6918 -46.6793 112.226 -94.2096 -33.7753 -22.9201 350.134 PRESSAVG: 1095400 28.3335 20.0769 -16.1775 20.0768 -18.4366 44.4667 -16.1775 44.4668 -3.04711 GPRESSAVG: 1095400 29.132 20.6676 -15.98 19.9122 -18.74 43.7536 -16.3245 44.1145 -3.1151 TIMING: 1095400 CPU: 3450.32, 0.00316238/step Wall: 3450.32, 0.00316238/step, 3.42996 hours remaining, 237.539062 MB of memory in use. ENERGY: 1095400 4063.8235 20560.5371 14450.8758 233.5911 -204017.9716 3047.2903 0.0000 0.0000 52152.1032 -109509.7505 299.7189 -161661.8537 -109155.0944 300.1414 144.0255 177.0559 758654.4606 2.2833 2.4256 PRESSURE: 1095600 -204.386 142.367 -257.903 142.366 215.16 -147.62 -257.904 -147.62 25.2829 GPRESSURE: 1095600 -177.81 188.171 -307.702 264.913 221.898 -109.914 -141.059 -72.3828 68.1707 PRESSAVG: 1095600 48.8358 -15.6203 -65.6273 -15.6203 -21.4168 8.73879 -65.6274 8.73882 0.0417494 GPRESSAVG: 1095600 48.1437 -13.5168 -66.845 -14.176 -21.5803 9.61395 -63.1296 9.34394 0.645573 TIMING: 1095600 CPU: 3450.95, 0.00315798/step Wall: 3450.95, 0.00315798/step, 3.42501 hours remaining, 237.539062 MB of memory in use. ENERGY: 1095600 3985.6146 20517.7346 14472.7952 229.7240 -203535.0644 2697.9043 0.0000 0.0000 52128.6771 -109502.6144 299.5842 -161631.2916 -109144.8510 300.0279 12.0191 37.4195 758976.3067 9.1536 9.0697 PRESSURE: 1095800 -11.1736 170.275 54.3019 170.276 192.302 196.841 54.3028 196.84 82.446 GPRESSURE: 1095800 20.8499 154.056 111.412 83.2398 263.984 217.738 64.2307 196.957 58.7849 PRESSAVG: 1095800 16.14 -1.17771 -11.8095 -1.1777 10.4021 15.0003 -11.8096 15.0004 4.50557 GPRESSAVG: 1095800 15.2821 -3.62498 -9.95325 -2.24307 11.5701 13.6311 -13.7433 13.323 4.03276 TIMING: 1095800 CPU: 3451.58, 0.00315645/step Wall: 3451.58, 0.00315645/step, 3.42317 hours remaining, 237.539062 MB of memory in use. ENERGY: 1095800 3888.9958 20683.6447 14444.2539 243.0332 -203352.3095 2543.5361 0.0000 0.0000 52093.7369 -109455.1089 299.3834 -161548.8458 -109102.3955 299.5989 87.8583 114.5397 761681.6141 10.3492 10.2950 PRESSURE: 1096000 -58.795 -44.3533 -91.1255 -44.3538 282.76 -166.128 -91.1253 -166.127 143.886 GPRESSURE: 1096000 -67.4783 -185.446 -23.4396 -4.714 300.129 -161.784 -62.5356 -167.135 209.302 PRESSAVG: 1096000 3.85368 39.4433 -22.2268 39.4433 -0.285551 -26.1289 -22.2269 -26.1289 -6.41253 GPRESSAVG: 1096000 3.99721 38.5374 -22.4306 40.4429 -0.548821 -25.0967 -24.1113 -24.307 -7.0163 TIMING: 1096000 CPU: 3452.21, 0.00315841/step Wall: 3452.21, 0.00315841/step, 3.42512 hours remaining, 237.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1096000 3999.7606 20566.3725 14398.0915 260.6727 -203147.0586 2486.4972 0.0000 0.0000 51984.7254 -109450.9387 298.7569 -161435.6640 -109084.8659 299.5597 122.6173 147.3176 760992.9459 -0.9481 -1.1893 PRESSURE: 1096200 227.98 -33.1425 36.8014 -33.1429 97.3865 -140.047 36.8012 -140.047 -375.437 GPRESSURE: 1096200 255.069 -38.4252 45.4908 -12.9512 51.6902 -199.91 4.40164 -93.0442 -274.991 PRESSAVG: 1096200 14.6156 10.0724 -69.5453 10.0724 -32.2228 -1.73947 -69.5452 -1.73947 16.4554 GPRESSAVG: 1096200 14.7157 9.80259 -69.998 7.84606 -32.5797 -0.93198 -68.9784 -4.6435 17.4085 TIMING: 1096200 CPU: 3452.85, 0.00317276/step Wall: 3452.85, 0.00317276/step, 3.4405 hours remaining, 237.539062 MB of memory in use. ENERGY: 1096200 4043.1571 20549.6038 14448.9523 262.2208 -203674.2576 2729.2044 0.0000 0.0000 52194.8887 -109446.2304 299.9647 -161641.1191 -109074.3669 299.5684 -16.6904 10.5893 760973.4235 -0.3839 -0.1518 LDB: ============= START OF LOAD BALANCING ============== 3465.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3465.24 LDB: =============== DONE WITH MIGRATION ================ 3465.25 LDB: ============= START OF LOAD BALANCING ============== 3465.56 LDB: Largest compute 7035 load 0.033292 is 17.0% of average load 0.195924 LDB: Average compute 0.004390 is 2.2% of average load 0.195924 LDB: TIME 3465.57 LOAD: AVG 0.195924 MAX 0.212763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.305 MB LDB: TIME 3465.57 LOAD: AVG 0.195924 MAX 0.212763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.371 MB LDB: TIME 3465.57 LOAD: AVG 0.195924 MAX 0.212763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.371 MB LDB: ============== END OF LOAD BALANCING =============== 3465.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3465.57 PRESSURE: 1096400 -135.135 -4.07404 -39.1648 -4.074 -148.911 -31.1606 -39.1649 -31.1597 -83.7768 GPRESSURE: 1096400 -128.747 23.6403 -87.6403 9.12296 -73.4833 -3.34925 13.6198 127.55 -77.8053 PRESSAVG: 1096400 15.9525 -27.4944 -3.64862 -27.4944 -40.7741 -9.84176 -3.6486 -9.8418 -17.7563 GPRESSAVG: 1096400 16.8132 -26.7174 -2.73847 -26.5716 -41.3255 -8.62799 -2.59348 -9.11592 -17.9727 TIMING: 1096400 CPU: 3453.49, 0.00321865/step Wall: 3453.49, 0.00321865/step, 3.49008 hours remaining, 237.523438 MB of memory in use. ENERGY: 1096400 3984.4998 20746.3538 14446.7417 243.4883 -203093.9860 2611.2169 0.0000 0.0000 51742.1758 -109319.5098 297.3630 -161061.6855 -108957.3041 299.2411 -122.6076 -93.3451 763059.7700 -14.1927 -14.1617 PRESSURE: 1096600 -21.7469 -46.9374 -76.6993 -46.9377 -128.802 24.5734 -76.6996 24.5728 19.0346 GPRESSURE: 1096600 -89.4806 110.953 -142.188 -75.7071 -97.8419 97.6712 -150.52 136.046 123.799 PRESSAVG: 1096600 19.4162 -41.6471 -32.3627 -41.647 -11.339 -6.52228 -32.3627 -6.5223 14.4577 GPRESSAVG: 1096600 19.8775 -38.4287 -33.556 -42.6445 -11.9058 -8.55071 -32.7138 -4.00204 14.6642 TIMING: 1096600 CPU: 3454.12, 0.00316229/step Wall: 3454.12, 0.00316229/step, 3.4288 hours remaining, 237.726562 MB of memory in use. ENERGY: 1096600 3921.0083 20587.4990 14488.3408 245.3025 -204005.7063 2957.0225 0.0000 0.0000 52332.1951 -109474.3382 300.7538 -161806.5333 -109097.0567 299.8572 -43.8382 -21.1744 760966.7457 7.5117 7.5453 PRESSURE: 1096800 -213.591 -30.9804 -205.781 -30.9815 -5.82254 330.926 -205.782 330.926 -379.168 GPRESSURE: 1096800 -231.465 -126.617 -244.177 54.1954 73.1164 358.576 -88.3332 223.728 -331.396 PRESSAVG: 1096800 -13.7369 8.21885 -10.6172 8.21883 51.8456 -16.0315 -10.6172 -16.0315 8.41665 GPRESSAVG: 1096800 -14.6238 6.26626 -10.8577 8.06052 52.7335 -14.669 -9.53734 -19.086 8.13951 TIMING: 1096800 CPU: 3454.76, 0.00316877/step Wall: 3454.76, 0.00316877/step, 3.43565 hours remaining, 237.726562 MB of memory in use. ENERGY: 1096800 3995.3970 20531.3034 14539.4096 222.9309 -203430.7571 2616.3996 0.0000 0.0000 51985.7275 -109539.5890 298.7627 -161525.3165 -109187.3214 299.3655 -199.5272 -163.2480 759446.5283 15.5085 15.4164 PRESSURE: 1097000 -182.328 16.2991 118.295 16.2991 -217.988 -69.3659 118.295 -69.3655 218.943 GPRESSURE: 1097000 -66.6019 61.7387 150.947 94.8568 -204.058 -49.3631 14.8667 -66.3767 178.792 PRESSAVG: 1097000 -0.394331 -9.25269 -15.8857 -9.25265 10.584 21.2368 -15.8857 21.237 -1.31171 GPRESSAVG: 1097000 -0.40831 -7.99152 -16.1571 -9.43583 10.4373 20.9475 -17.1076 22.6092 -1.25995 TIMING: 1097000 CPU: 3455.39, 0.00316883/step Wall: 3455.39, 0.00316883/step, 3.43555 hours remaining, 237.726562 MB of memory in use. ENERGY: 1097000 4005.3986 20574.2482 14471.6566 222.1866 -203465.0120 2519.3751 0.0000 0.0000 52114.0105 -109558.1364 299.4999 -161672.1470 -109192.1647 298.7210 -60.4576 -30.6226 759294.3201 2.9593 2.9230 PRESSURE: 1097200 -251.89 67.29 109.513 67.2905 221.336 156.453 109.512 156.451 119.276 GPRESSURE: 1097200 -234.893 82.6628 124.184 53.6611 301.171 115.57 -30.0993 30.5659 113.033 PRESSAVG: 1097200 27.0477 -27.9176 -72.5053 -27.9175 -55.0094 3.24035 -72.5053 3.24023 4.00653 GPRESSAVG: 1097200 27.662 -29.8595 -74.3047 -26.5971 -54.2134 1.63548 -71.6812 3.57266 2.82214 TIMING: 1097200 CPU: 3456.02, 0.00313756/step Wall: 3456.02, 0.00313755/step, 3.40146 hours remaining, 237.726562 MB of memory in use. ENERGY: 1097200 4085.6883 20542.2581 14502.6910 265.3881 -203729.9027 2789.3921 0.0000 0.0000 52120.3934 -109424.0917 299.5366 -161544.4851 -109074.9258 299.1421 29.5737 59.7701 759552.6135 -7.9851 -7.9098 PRESSURE: 1097400 -152.589 154.224 86.9098 154.224 -195.277 -111.5 86.9097 -111.5 -207.439 GPRESSURE: 1097400 -56.6707 195.064 130.848 150.53 -185.589 -134.298 -36.9621 -79.7758 -223.34 PRESSAVG: 1097400 -44.1357 -33.1282 4.62945 -33.1282 16.1145 -32.9146 4.62949 -32.9146 27.7097 GPRESSAVG: 1097400 -44.5285 -32.9006 6.17928 -31.7801 15.5844 -31.9062 3.369 -33.6178 28.6431 TIMING: 1097400 CPU: 3456.65, 0.00314654/step Wall: 3456.65, 0.00314654/step, 3.41103 hours remaining, 237.929688 MB of memory in use. ENERGY: 1097400 3995.3433 20527.6392 14474.8018 242.1315 -203559.2300 2713.1529 0.0000 0.0000 52159.2388 -109446.9226 299.7599 -161606.1614 -109081.4377 299.4995 -185.1015 -155.1999 760409.0575 -0.1038 -0.1003 PRESSURE: 1097600 50.6172 22.3452 -75.906 22.3449 106.336 165.653 -75.9056 165.654 209.559 GPRESSURE: 1097600 53.7346 145.998 -183.589 -24.888 137.823 151.86 -44.2146 141.713 273.935 PRESSAVG: 1097600 32.3757 13.6824 -8.42818 13.6824 -52.14 24.4431 -8.42813 24.4431 -0.793185 GPRESSAVG: 1097600 33.1196 13.3418 -9.07344 13.0104 -52.8597 24.2617 -6.66294 27.6549 -0.561296 TIMING: 1097600 CPU: 3457.28, 0.0031395/step Wall: 3457.28, 0.0031395/step, 3.40322 hours remaining, 237.929688 MB of memory in use. ENERGY: 1097600 4039.9109 20539.9683 14436.7603 255.2933 -203694.1125 2626.7511 0.0000 0.0000 52395.3777 -109400.0509 301.1170 -161795.4287 -109029.9450 299.5910 122.1708 155.1642 759608.2522 -6.8525 -6.7671 PRESSURE: 1097800 -365.978 -287.666 -69.0321 -287.666 -259.605 -52.6705 -69.0324 -52.6701 -217.353 GPRESSURE: 1097800 -244.758 -359.022 -13.8808 -159.262 -310.206 -118.108 -70.1161 -166.164 -171.783 PRESSAVG: 1097800 -2.17771 0.198299 -40.6183 0.198363 -4.88517 -20.6395 -40.6183 -20.6395 -21.7569 GPRESSAVG: 1097800 -1.98596 -0.497885 -40.2607 1.0809 -4.87503 -19.4456 -40.3191 -22.7665 -21.836 TIMING: 1097800 CPU: 3457.91, 0.00316514/step Wall: 3457.91, 0.00316514/step, 3.43083 hours remaining, 237.929688 MB of memory in use. ENERGY: 1097800 3973.5859 20644.6323 14477.0921 245.3781 -203225.0847 2415.6171 0.0000 0.0000 52298.4749 -109170.3043 300.5601 -161468.7791 -108806.2190 300.2200 -280.9785 -242.2489 760228.1630 -9.6066 -9.5657 PRESSURE: 1098000 186.961 115.534 37.4635 115.534 263.581 -99.9924 37.4641 -99.9917 -48.2753 GPRESSURE: 1098000 269.858 119.784 30.1499 92.9312 280.439 -111.392 40.928 -30.1005 -70.4243 PRESSAVG: 1098000 25.8196 17.5708 38.7571 17.5709 1.82261 15.9052 38.757 15.9051 1.76628 GPRESSAVG: 1098000 26.5826 18.9984 39.1417 15.8393 1.35238 15.6845 36.6807 16.9403 1.21896 TIMING: 1098000 CPU: 3458.54, 0.00317351/step Wall: 3458.54, 0.00317351/step, 3.43973 hours remaining, 237.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1098000 4070.4516 20587.9783 14449.4844 233.6061 -203284.0053 2537.9376 0.0000 0.0000 52490.6278 -108913.9195 301.6644 -161404.5473 -108560.0202 300.5252 134.0888 159.9576 759956.4298 9.8028 9.7180 PRESSURE: 1098200 -188.617 -122.343 -86.0016 -122.343 9.89872 -122.032 -86.0028 -122.031 -301.432 GPRESSURE: 1098200 -203.96 -241.138 -51.0097 -178.658 90.2527 -149.133 -53.2271 -194.576 -294.527 PRESSAVG: 1098200 3.6729 -40.8537 58.7273 -40.8537 24.3443 -17.5524 58.7273 -17.5524 -12.7967 GPRESSAVG: 1098200 2.5154 -42.0388 59.1361 -40.3805 23.834 -19.8692 60.5303 -16.9651 -11.4582 TIMING: 1098200 CPU: 3459.17, 0.00315304/step Wall: 3459.17, 0.00315304/step, 3.41737 hours remaining, 237.929688 MB of memory in use. ENERGY: 1098200 4042.6668 20731.7081 14412.9881 242.5236 -203200.0185 2521.8609 0.0000 0.0000 52053.6164 -109194.6546 299.1528 -161248.2710 -108841.0188 300.5471 -160.0501 -136.0783 760190.8743 5.0735 4.9637 PRESSURE: 1098400 418.432 130.57 65.7712 130.569 409.455 221.567 65.7721 221.568 129.59 GPRESSURE: 1098400 411.628 94.109 49.5082 106.865 408.696 273.246 -81.5603 238.514 210.264 PRESSAVG: 1098400 -30.9723 -50.6364 34.0574 -50.6363 33.7981 16.6029 34.0575 16.6029 11.3657 GPRESSAVG: 1098400 -30.9839 -50.9059 32.7443 -48.6754 34.821 19.5956 31.5952 15.7816 10.8861 TIMING: 1098400 CPU: 3459.81, 0.00316339/step Wall: 3459.81, 0.00316339/step, 3.42841 hours remaining, 237.929688 MB of memory in use. ENERGY: 1098400 3966.3952 20489.5875 14444.8055 254.9410 -203215.1523 2454.2209 0.0000 0.0000 52128.6778 -109476.5243 299.5842 -161605.2022 -109117.4452 299.6078 319.1587 343.5292 760608.7839 4.7305 4.9077 PRESSURE: 1098600 31.5115 -80.9213 54.8556 -80.9219 -3.86332 -125.633 54.8555 -125.633 41.7553 GPRESSURE: 1098600 93.3388 -111.19 -31.7622 -70.2221 9.11888 -64.5563 172.817 -47.1601 73.7866 PRESSAVG: 1098600 -29.3708 -9.29642 -14.5692 -9.29642 2.38086 -96.1527 -14.5692 -96.1527 -6.10907 GPRESSAVG: 1098600 -27.9408 -10.682 -14.1355 -9.10277 2.1926 -97.863 -13.6237 -94.3116 -7.36443 TIMING: 1098600 CPU: 3460.44, 0.00314394/step Wall: 3460.44, 0.00314394/step, 3.40716 hours remaining, 237.929688 MB of memory in use. ENERGY: 1098600 4086.9680 20390.0466 14386.7485 242.9635 -203546.2727 2771.4668 0.0000 0.0000 52080.6774 -109587.4018 299.3084 -161668.0792 -109227.0057 299.2441 23.1345 58.7481 762157.0430 -11.0330 -11.0375 PRESSURE: 1098800 -246.265 -15.065 -142.324 -15.0647 -344.206 -71.0275 -142.325 -71.0273 -13.668 GPRESSURE: 1098800 -175.149 -31.361 -136.099 -93.6879 -319.892 -65.9754 -39.18 -175.213 -27.226 PRESSAVG: 1098800 -59.3391 -24.6369 -27.2622 -24.6369 47.0276 11.1951 -27.2622 11.1951 6.22424 GPRESSAVG: 1098800 -60.1553 -21.3151 -25.4172 -27.7745 47.2437 11.9415 -27.4651 10.3404 6.49918 TIMING: 1098800 CPU: 3461.07, 0.00315856/step Wall: 3461.07, 0.00315856/step, 3.42282 hours remaining, 237.929688 MB of memory in use. ENERGY: 1098800 4008.7076 20482.6151 14372.2619 216.8002 -203400.5352 2807.6633 0.0000 0.0000 51859.8430 -109652.6441 298.0392 -161512.4871 -109290.1847 299.1201 -201.3799 -174.0892 763237.2933 -2.0291 -2.1375 PRESSURE: 1099000 181.573 228.19 224.766 228.19 -120.654 34.9561 224.765 34.9564 -668.298 GPRESSURE: 1099000 130.135 107.218 222.779 181.226 -61.5911 82.9264 109.201 -31.1045 -587.983 PRESSAVG: 1099000 -9.57137 -29.8779 -19.7492 -29.8779 16.9277 -19.1607 -19.7492 -19.1607 -7.05021 GPRESSAVG: 1099000 -9.49891 -33.1824 -21.0494 -28.0045 16.7976 -18.7396 -18.8492 -20.364 -6.77332 TIMING: 1099000 CPU: 3461.7, 0.00316348/step Wall: 3461.7, 0.00316348/step, 3.42798 hours remaining, 237.929688 MB of memory in use. ENERGY: 1099000 4055.8724 20559.8731 14487.1631 234.8352 -203386.5886 2485.2325 0.0000 0.0000 51926.0098 -109637.6026 298.4195 -161563.6124 -109274.2953 299.0672 -202.4596 -173.1463 763943.5305 0.1020 0.1751 PRESSURE: 1099200 475.14 -50.3495 181.754 -50.3496 274.486 -65.9982 181.754 -65.9981 -244.735 GPRESSURE: 1099200 455.52 -107.377 179.575 65.5034 276.536 -116.301 123.299 65.7194 -147.084 PRESSAVG: 1099200 -6.15869 4.23869 39.6837 4.23865 4.39802 5.58027 39.6837 5.58026 -23.819 GPRESSAVG: 1099200 -6.9122 4.44294 38.6554 2.92019 4.92699 5.10403 37.9155 7.11172 -23.3785 TIMING: 1099200 CPU: 3462.33, 0.00316663/step Wall: 3462.33, 0.00316663/step, 3.43122 hours remaining, 237.929688 MB of memory in use. ENERGY: 1099200 3961.1661 20527.2254 14465.3881 262.0629 -203479.5166 2852.4589 0.0000 0.0000 51658.2839 -109752.9313 296.8809 -161411.2152 -109392.0524 298.8583 168.2973 194.9907 762842.3808 -8.5266 -8.4546 PRESSURE: 1099400 -55.9715 204.829 137.406 204.829 -316.939 189.696 137.406 189.696 -472.754 GPRESSURE: 1099400 -113.858 180.266 172.925 150.418 -235.77 178.533 77.642 66.264 -433.475 PRESSAVG: 1099400 -18.0037 -38.9188 56.2684 -38.9188 15.2344 -18.5706 56.2684 -18.5705 -22.0416 GPRESSAVG: 1099400 -17.9619 -38.0127 55.5943 -36.9446 15.4712 -19.0018 57.1494 -18.714 -22.3632 TIMING: 1099400 CPU: 3462.96, 0.00315038/step Wall: 3462.96, 0.00315038/step, 3.41343 hours remaining, 237.929688 MB of memory in use. ENERGY: 1099400 4008.7703 20546.6651 14444.9483 255.5130 -203641.3367 2666.3142 0.0000 0.0000 52097.1288 -109621.9971 299.4029 -161719.1259 -109266.9967 298.8611 -281.8884 -261.0344 763329.4251 -8.2703 -8.2846 PRESSURE: 1099600 -16.7309 -51.8924 -84.6909 -51.8938 97.1585 150.323 -84.691 150.323 639.294 GPRESSURE: 1099600 50.961 -62.5443 -115.526 -47.9517 96.6629 119.363 44.9158 72.4839 649.928 PRESSAVG: 1099600 15.9542 20.2574 52.554 20.2574 15.0687 30.2603 52.554 30.2604 18.3965 GPRESSAVG: 1099600 17.3417 23.1 52.8556 17.6348 13.7207 28.9018 52.272 32.0292 18.5636 TIMING: 1099600 CPU: 3463.59, 0.00315264/step Wall: 3463.59, 0.00315264/step, 3.41571 hours remaining, 237.929688 MB of memory in use. ENERGY: 1099600 3936.6052 20576.2619 14385.9681 245.1202 -203448.6815 2646.3682 0.0000 0.0000 52110.0099 -109548.3481 299.4769 -161658.3580 -109174.5972 299.1441 239.9071 265.8505 763494.0759 16.4731 16.5420 PRESSURE: 1099800 -130.727 -251.007 -60.0528 -251.007 68.1161 98.8732 -60.0523 98.8738 225.323 GPRESSURE: 1099800 -93.3369 -193.313 -13.2009 -189.081 185.821 16.0439 -82.4598 237.428 162.872 PRESSAVG: 1099800 19.2176 32.9755 -26.7834 32.9755 2.81935 11.8164 -26.7835 11.8162 -29.9247 GPRESSAVG: 1099800 19.1508 30.3726 -25.1335 35.035 2.99875 13.8635 -25.2117 9.27262 -29.5115 TIMING: 1099800 CPU: 3464.23, 0.00315883/step Wall: 3464.23, 0.00315883/step, 3.42224 hours remaining, 237.929688 MB of memory in use. ENERGY: 1099800 4008.9339 20522.3489 14342.8761 240.9901 -203220.4606 2435.0140 0.0000 0.0000 52139.6660 -109530.6316 299.6474 -161670.2976 -109169.2685 299.0001 54.2376 85.1185 761818.2681 -2.6293 -2.4540 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100000 128.633 -203.803 199.837 -203.804 -240.525 31.7536 199.837 31.7526 -33.6693 GPRESSURE: 1100000 108.992 -329.618 202.543 -154.531 -196.48 107.23 171.227 39.293 22.6687 PRESSAVG: 1100000 39.6328 -8.20339 69.7893 -8.20334 9.86162 19.7631 69.7894 19.7631 10.6312 GPRESSAVG: 1100000 39.561 -8.26806 67.7095 -8.7565 9.7674 19.4462 67.5842 22.3086 10.2292 TIMING: 1100000 CPU: 3464.88, 0.00328104/step Wall: 3464.88, 0.00328104/step, 3.55446 hours remaining, 237.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1100000 3899.0330 20580.5406 14339.4277 221.7087 -203468.8720 2857.6382 0.0000 0.0000 52151.6530 -109418.8708 299.7163 -161570.5238 -109051.8679 299.0682 -48.5202 -21.6067 762043.2323 20.0419 19.8525 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 PRESSURE: 1100200 67.3716 -62.3364 98.1779 -62.3352 -318.94 -25.7433 98.1787 -25.7431 23.4095 GPRESSURE: 1100200 93.2698 -79.6712 33.0135 130.414 -281.067 -77.077 149.482 165.238 65.9154 PRESSAVG: 1100200 33.9624 -55.1772 27.7869 -55.1773 -36.864 26.7825 27.7869 26.7825 3.34218 GPRESSAVG: 1100200 32.9592 -54.6885 28.3361 -55.9127 -36.0926 26.8073 27.8641 25.6561 3.40135 TIMING: 1100200 CPU: 3465.52, 0.00319758/step Wall: 3465.52, 0.00319758/step, 3.46386 hours remaining, 237.929688 MB of memory in use. ENERGY: 1100200 3968.6934 20467.9935 14480.6191 230.7365 -203254.7991 2575.0517 0.0000 0.0000 51812.8138 -109718.8910 297.7690 -161531.7047 -109366.3231 298.8958 -76.0528 -40.6274 762753.5663 0.1469 0.0893 LDB: ============= START OF LOAD BALANCING ============== 3477.92 LDB: ============== END OF LOAD BALANCING =============== 3477.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3477.92 LDB: ============= START OF LOAD BALANCING ============== 3478.24 LDB: Largest compute 7077 load 0.034419 is 17.6% of average load 0.195844 LDB: Average compute 0.004379 is 2.2% of average load 0.195844 LDB: TIME 3478.25 LOAD: AVG 0.195844 MAX 0.215332 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.293 MB LDB: TIME 3478.25 LOAD: AVG 0.195844 MAX 0.215332 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.496 MB LDB: TIME 3478.25 LOAD: AVG 0.195844 MAX 0.215332 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.496 MB LDB: ============== END OF LOAD BALANCING =============== 3478.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3478.25 PRESSURE: 1100400 -179.087 158.807 296.011 158.808 60.4203 41.0564 296.011 41.0566 -500.077 GPRESSURE: 1100400 -170.594 196.136 390.136 32.5064 87.5719 32.295 308.224 7.47488 -456.041 PRESSAVG: 1100400 15.7104 -51.1482 -1.24605 -51.1482 -42.0144 6.86763 -1.24601 6.86767 -19.9806 GPRESSAVG: 1100400 15.0366 -51.9559 -0.910431 -50.2077 -41.0156 5.74385 -0.359253 6.53847 -19.9135 TIMING: 1100400 CPU: 3466.17, 0.00324463/step Wall: 3466.17, 0.00324463/step, 3.51466 hours remaining, 237.214844 MB of memory in use. ENERGY: 1100400 3947.4162 20371.3890 14370.5274 242.2947 -203770.5713 2687.8094 0.0000 0.0000 52493.5728 -109657.5618 301.6813 -162151.1345 -109288.6222 298.7155 -206.2481 -179.6879 761989.1918 -15.4282 -15.2975 PRESSURE: 1100600 27.3557 -12.1837 40.3929 -12.1838 -44.1858 -0.335975 40.3932 -0.335372 -289.536 GPRESSURE: 1100600 44.0868 -1.0977 4.13553 -1.95862 31.0631 47.6917 137.404 -17.3583 -296.015 PRESSAVG: 1100600 -19.443 -41.2386 -5.07316 -41.2386 37.2969 26.6471 -5.07317 26.6471 -4.76104 GPRESSAVG: 1100600 -17.956 -40.951 -5.2302 -42.2374 35.6007 27.937 -5.28234 26.5716 -4.99268 TIMING: 1100600 CPU: 3466.81, 0.00317915/step Wall: 3466.81, 0.00317915/step, 3.44355 hours remaining, 237.511719 MB of memory in use. ENERGY: 1100600 4040.3180 20509.2714 14436.2566 240.3287 -203416.1936 2517.8927 0.0000 0.0000 52052.3376 -109619.7885 299.1455 -161672.1262 -109264.4004 299.2615 -102.1219 -73.6216 762815.3514 4.3643 4.2173 PRESSURE: 1100800 257.357 185.633 48.1002 185.633 -346.612 -1.21892 48.0992 -1.21935 -490.755 GPRESSURE: 1100800 188.413 183.17 -15.2571 174.501 -242.434 31.3273 86.491 21.1698 -447.403 PRESSAVG: 1100800 -32.1122 -54.6693 -86.2366 -54.6694 0.0853035 -0.0393344 -86.2367 -0.039309 -12.7122 GPRESSAVG: 1100800 -33.6255 -56.9922 -84.8443 -52.7126 0.49486 -1.17207 -88.0293 -1.24895 -11.6121 TIMING: 1100800 CPU: 3467.44, 0.00317678/step Wall: 3467.44, 0.00317678/step, 3.4408 hours remaining, 237.511719 MB of memory in use. ENERGY: 1100800 3941.8935 20331.5187 14452.8790 257.2586 -203128.7354 2396.8655 0.0000 0.0000 52207.2632 -109541.0569 300.0359 -161748.3201 -109181.1969 299.1297 -193.3364 -167.1410 761878.4681 -14.9131 -14.9142 PRESSURE: 1101000 131.235 -74.9223 -108.605 -74.9211 305.458 180.352 -108.606 180.352 74.9819 GPRESSURE: 1101000 186.005 -37.6959 -126.783 -96.075 350.717 178.685 -164.817 315.011 50.8154 PRESSAVG: 1101000 30.6137 -31.1905 34.3548 -31.1905 9.99189 47.389 34.3548 47.389 -17.8282 GPRESSAVG: 1101000 31.6094 -30.0565 33.4228 -32.7348 9.95 47.0586 34.8653 47.0597 -18.7409 TIMING: 1101000 CPU: 3468.08, 0.00316991/step Wall: 3468.08, 0.00316991/step, 3.43319 hours remaining, 237.511719 MB of memory in use. ENERGY: 1101000 3914.0558 20456.0775 14436.2169 259.6778 -203341.9249 2516.5478 0.0000 0.0000 52133.2001 -109626.1491 299.6102 -161759.3492 -109271.2092 299.5519 170.5580 195.8457 761985.2468 7.5925 7.6062 PRESSURE: 1101200 59.7 167.679 260.514 167.678 -9.67318 -179.794 260.514 -179.793 16.512 GPRESSURE: 1101200 147.893 326.11 322.273 13.3078 -91.5632 -204.432 184.616 -206.791 81.3444 PRESSAVG: 1101200 -29.3482 -37.5354 -12.3059 -37.5354 63.9188 -33.1573 -12.3059 -33.1573 -5.26644 GPRESSAVG: 1101200 -28.0488 -35.2537 -11.8813 -39.2637 63.4194 -31.5253 -12.9508 -32.1896 -5.86546 TIMING: 1101200 CPU: 3468.71, 0.00317321/step Wall: 3468.71, 0.00317321/step, 3.43659 hours remaining, 237.511719 MB of memory in use. ENERGY: 1101200 3990.9217 20522.0283 14541.4632 244.6143 -203632.9298 2688.0745 0.0000 0.0000 52255.6608 -109390.1670 300.3140 -161645.8278 -109026.9773 299.8493 22.1796 45.8913 761822.4517 9.7680 9.8350 PRESSURE: 1101400 -382.619 18.7399 -146.426 18.7394 80.3541 189.625 -146.425 189.626 -50.2305 GPRESSURE: 1101400 -239.137 163.124 -166.458 111.31 77.9889 150.458 -101.549 165.197 -140.36 PRESSAVG: 1101400 21.9177 -58.4496 -1.17926 -58.4496 -9.70154 -27.738 -1.1792 -27.7379 0.555757 GPRESSAVG: 1101400 21.9776 -57.9397 -2.59951 -55.8906 -9.32883 -28.7777 1.68103 -26.8421 0.316057 TIMING: 1101400 CPU: 3469.34, 0.00314483/step Wall: 3469.34, 0.00314484/step, 3.40568 hours remaining, 237.511719 MB of memory in use. ENERGY: 1101400 3985.5123 20454.0708 14539.6119 234.7398 -203132.0448 2348.6476 0.0000 0.0000 52190.3371 -109379.1253 299.9386 -161569.4624 -109020.7776 299.8855 -117.4984 -100.5026 761569.6371 4.2573 4.3216 PRESSURE: 1101600 -127.401 -7.45896 32.4101 -7.45997 -200.476 360.749 32.4098 360.748 67.8939 GPRESSURE: 1101600 -73.7729 -38.4515 -13.1197 28.4181 -190.2 354.663 70.8378 384.057 82.2167 PRESSAVG: 1101600 9.29275 2.62982 8.93892 2.62982 -6.85589 -53.571 8.93894 -53.571 0.509691 GPRESSAVG: 1101600 9.2839 1.32365 8.84066 4.5378 -7.56302 -51.686 8.12614 -55.1594 0.78502 TIMING: 1101600 CPU: 3469.97, 0.00316478/step Wall: 3469.97, 0.00316478/step, 3.42711 hours remaining, 237.511719 MB of memory in use. ENERGY: 1101600 3999.4374 20522.0275 14480.0217 232.7857 -203273.3745 2328.8010 0.0000 0.0000 52312.5760 -109397.7251 300.6411 -161710.3012 -109044.2109 299.5747 -86.6611 -60.5853 762237.2094 0.9822 0.8353 PRESSURE: 1101800 -231.95 26.6166 8.93708 26.616 276.395 -109.009 8.93857 -109.008 -206.771 GPRESSURE: 1101800 -111.776 30.761 43.9581 97.578 202.131 -110.766 -61.161 -94.9169 -163.711 PRESSAVG: 1101800 19.567 15.1304 20.7833 15.1305 -10.4496 -1.63659 20.7834 -1.63669 19.8508 GPRESSAVG: 1101800 18.2551 13.5254 23.0623 13.2991 -10.7365 -3.42071 18.7949 -1.89097 21.3133 TIMING: 1101800 CPU: 3470.6, 0.00315518/step Wall: 3470.6, 0.00315518/step, 3.41654 hours remaining, 237.511719 MB of memory in use. ENERGY: 1101800 3969.0325 20534.6327 14423.5460 238.4393 -203175.9788 2684.8064 0.0000 0.0000 52111.8642 -109213.6576 299.4876 -161325.5218 -108864.4731 299.5299 -54.1086 -24.4521 762379.4945 9.6560 9.6106 PRESSURE: 1102000 265.264 -19.6235 144.821 -19.6244 -246.421 -259.258 144.821 -259.258 129.831 GPRESSURE: 1102000 193.929 46.5907 163.078 -150.714 -101.786 -289.483 -6.54491 -250.667 146.855 PRESSAVG: 1102000 -9.73695 3.99307 86.7477 3.99306 39.1479 -49.8725 86.7476 -49.8724 24.4676 GPRESSAVG: 1102000 -9.58353 4.51998 84.4033 5.04849 40.4512 -48.6943 86.5978 -48.3407 22.7181 TIMING: 1102000 CPU: 3471.24, 0.0031597/step Wall: 3471.24, 0.0031597/step, 3.42126 hours remaining, 237.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1102000 3959.5900 20501.6919 14501.0606 247.2818 -203948.7041 2986.1681 0.0000 0.0000 52286.3002 -109466.6114 300.4901 -161752.9116 -109093.8445 300.0958 49.5583 79.6662 761396.8290 17.9595 17.8619 PRESSURE: 1102200 -381.658 -86.8141 41.1819 -86.815 215.303 -140.984 41.1813 -140.984 -104.44 GPRESSURE: 1102200 -194.421 64.3103 114.191 -150.618 169.859 -193.944 77.1832 -17.2605 -149.014 PRESSAVG: 1102200 29.867 -24.8662 20.1412 -24.8662 26.7871 -23.2409 20.1412 -23.2409 2.73064 GPRESSAVG: 1102200 30.1751 -22.6433 21.6846 -26.7602 26.3299 -24.4756 20.6376 -22.0367 2.99087 TIMING: 1102200 CPU: 3471.87, 0.00316248/step Wall: 3471.87, 0.00316248/step, 3.42409 hours remaining, 237.511719 MB of memory in use. ENERGY: 1102200 3958.7661 20559.9827 14364.0537 235.8592 -203563.9159 2781.8199 0.0000 0.0000 52110.2162 -109553.2180 299.4781 -161663.4342 -109196.1064 299.3577 -90.2652 -57.8587 761609.7100 19.7949 19.8320 PRESSURE: 1102400 -33.4876 -17.4405 -40.4289 -17.4401 -162.684 -159.436 -40.429 -159.436 195.13 GPRESSURE: 1102400 -29.0741 -60.8048 -50.1795 115.175 -104.551 -164.79 -138.958 -152.814 202.724 PRESSAVG: 1102400 32.9054 33.8603 13.5853 33.8603 20.4702 23.8684 13.5853 23.8685 -5.67249 GPRESSAVG: 1102400 31.9816 33.2591 13.5989 36.2765 21.0819 23.8792 13.759 23.4912 -5.77438 TIMING: 1102400 CPU: 3472.5, 0.00317275/step Wall: 3472.5, 0.00317275/step, 3.43503 hours remaining, 237.511719 MB of memory in use. ENERGY: 1102400 3965.5781 20465.5746 14390.9198 240.8629 -203078.7197 2225.6939 0.0000 0.0000 52062.6165 -109727.4741 299.2046 -161790.0905 -109358.2090 298.9146 -0.3470 23.0330 759710.5577 15.9011 15.7630 PRESSURE: 1102600 -299.877 -64.3156 90.7472 -64.3159 366.252 -80.7765 90.7469 -80.7765 -158.523 GPRESSURE: 1102600 -248.744 -49.9853 154.077 -61.5618 353.757 -16.0649 37.0773 -42.8707 -114.6 PRESSAVG: 1102600 41.4542 7.71805 -4.7291 7.71804 -25.1982 -8.36013 -4.72908 -8.36003 34.8765 GPRESSAVG: 1102600 42.8098 6.16798 -3.6096 6.42691 -26.4802 -7.94028 -6.34038 -9.75789 35.7135 TIMING: 1102600 CPU: 3473.13, 0.00315613/step Wall: 3473.13, 0.00315613/step, 3.41686 hours remaining, 237.511719 MB of memory in use. ENERGY: 1102600 3932.3233 20522.5997 14476.5050 241.5693 -203648.2766 2504.4618 0.0000 0.0000 52163.0037 -109807.8138 299.7815 -161970.8175 -109439.5569 298.8500 -30.7161 -3.1958 758458.4139 17.0442 17.3477 PRESSURE: 1102800 -320.303 -73.1619 214.494 -73.1603 -351.29 252.65 214.495 252.651 -240.174 GPRESSURE: 1102800 -281.883 -44.8205 199.411 -92.8899 -315.335 408.994 228.352 250.344 -215.858 PRESSAVG: 1102800 -13.5193 14.5358 4.00355 14.5358 4.46464 -11.9691 4.00355 -11.9691 6.83408 GPRESSAVG: 1102800 -13.5942 13.2661 3.89656 14.6974 4.81489 -10.8503 4.10676 -12.9206 6.61619 TIMING: 1102800 CPU: 3473.77, 0.00316571/step Wall: 3473.77, 0.00316571/step, 3.42706 hours remaining, 237.511719 MB of memory in use. ENERGY: 1102800 4032.9584 20312.4911 14394.6508 236.5199 -202866.9089 2294.3952 0.0000 0.0000 51860.3819 -109735.5114 298.0423 -161595.8933 -109376.4571 298.6513 -303.9221 -271.0254 762050.6149 -0.7402 -0.7210 PRESSURE: 1103000 -178.897 134.613 100.181 134.613 -289.08 -54.183 100.183 -54.1826 86.6204 GPRESSURE: 1103000 -55.6643 155.219 95.0648 29.8587 -249.195 -98.1062 51.048 -122.256 36.3011 PRESSAVG: 1103000 21.5154 -8.08327 29.8838 -8.08329 -37.4561 6.05153 29.8838 6.05153 -20.0069 GPRESSAVG: 1103000 21.9026 -8.08857 28.7633 -7.31464 -37.7849 5.78683 33.2037 5.42841 -19.9119 TIMING: 1103000 CPU: 3474.4, 0.003162/step Wall: 3474.4, 0.003162/step, 3.42286 hours remaining, 237.511719 MB of memory in use. ENERGY: 1103000 3945.7114 20558.9534 14416.2586 251.8821 -203246.7725 2413.9178 0.0000 0.0000 51896.5043 -109763.5449 298.2499 -161660.0492 -109411.6616 298.7855 -127.1188 -89.5193 762388.3178 -11.9825 -11.9314 PRESSURE: 1103200 40.7613 -145.331 -183.179 -145.33 203.355 114.686 -183.178 114.685 216.41 GPRESSURE: 1103200 70.448 -41.2703 -184.504 -194.823 261.263 49.3736 -210.423 314.081 216.455 PRESSAVG: 1103200 -25.7167 0.074152 -21.5472 0.0741793 18.709 -14.7425 -21.5471 -14.7425 24.693 GPRESSAVG: 1103200 -27.2934 1.38292 -22.3257 0.367146 19.1837 -16.0344 -22.6816 -12.8365 25.7148 TIMING: 1103200 CPU: 3475.04, 0.00321196/step Wall: 3475.04, 0.00321196/step, 3.47676 hours remaining, 237.511719 MB of memory in use. ENERGY: 1103200 3987.0687 20286.6633 14400.5159 252.7224 -203992.0987 2839.5424 0.0000 0.0000 52202.0730 -110023.5130 300.0060 -162225.5860 -109664.5618 298.8131 153.5088 182.7218 762273.7288 5.8951 5.8684 PRESSURE: 1103400 -444.365 -145.795 219.909 -145.795 -347.098 -162.12 219.909 -162.12 110.649 GPRESSURE: 1103400 -286.246 -8.4211 241.151 -158.469 -376.746 -82.6109 187.491 -207.452 74.0027 PRESSAVG: 1103400 85.6659 -29.5111 56.0353 -29.511 -53.4384 -0.889519 56.0353 -0.889508 5.42014 GPRESSAVG: 1103400 87.2389 -31.6591 56.434 -27.8857 -54.3289 -0.562274 53.4413 -1.10377 4.80042 TIMING: 1103400 CPU: 3475.68, 0.00320231/step Wall: 3475.68, 0.00320231/step, 3.46615 hours remaining, 237.511719 MB of memory in use. ENERGY: 1103400 3969.2311 20317.5190 14443.2178 253.8032 -203694.1629 2701.7882 0.0000 0.0000 52141.6594 -109866.9442 299.6588 -162008.6036 -109502.0176 298.9914 -226.9381 -196.3297 761476.1175 12.5492 12.5701 PRESSURE: 1103600 55.1551 -67.0176 -155.543 -67.0183 -140.029 98.4499 -155.542 98.4507 -210.532 GPRESSURE: 1103600 -47.3654 -123.622 -109.029 -41.0388 13.962 54.9721 -131.166 149.345 -186.93 PRESSAVG: 1103600 7.14575 -14.6025 43.6414 -14.6025 -9.88028 -36.0663 43.6414 -36.0662 -16.8281 GPRESSAVG: 1103600 5.69226 -13.9645 43.4943 -15.8962 -8.87098 -37.3218 44.3442 -34.6595 -16.2746 TIMING: 1103600 CPU: 3476.31, 0.00316621/step Wall: 3476.31, 0.00316621/step, 3.4269 hours remaining, 237.511719 MB of memory in use. ENERGY: 1103600 3965.5689 20446.7123 14388.1842 248.5231 -203501.4891 2582.3252 0.0000 0.0000 51745.2925 -110124.8830 297.3809 -161870.1755 -109774.2176 298.5839 -98.4686 -73.4444 761823.8434 -6.5209 -6.4844 PRESSURE: 1103800 225.426 97.064 -48.6662 97.064 267.142 -171.687 -48.6659 -171.689 77.6301 GPRESSURE: 1103800 237.914 -22.921 -59.7993 44.7835 319.355 -100.79 -125.458 -59.2247 87.3816 PRESSAVG: 1103800 -15.0812 79.7087 -2.31798 79.7088 37.2981 -19.5721 -2.31793 -19.5721 4.99228 GPRESSAVG: 1103800 -13.5431 79.4209 -0.948207 79.0856 37.1129 -16.6978 -0.660479 -20.0629 4.16659 TIMING: 1103800 CPU: 3476.95, 0.00318016/step Wall: 3476.95, 0.00318016/step, 3.44182 hours remaining, 237.511719 MB of memory in use. ENERGY: 1103800 3987.3692 20414.5134 14482.8381 239.2275 -203857.5034 2784.8918 0.0000 0.0000 51993.9220 -109954.7413 298.8098 -161948.6633 -109591.1208 298.2987 190.0661 214.8835 760248.8817 9.0697 9.2455 PRESSURE: 1104000 154.022 61.7202 40.0539 61.7213 44.6291 -4.68636 40.054 -4.68548 -23.3027 GPRESSURE: 1104000 158.903 64.9055 -46.3189 66.5692 63.3431 25.4742 148.793 68.1024 21.943 PRESSAVG: 1104000 7.44376 -5.1854 -3.86763 -5.18541 -18.5468 -23.5451 -3.86762 -23.5451 13.2335 GPRESSAVG: 1104000 6.71521 -5.75737 -4.91005 -3.17003 -18.5612 -23.0981 -6.33892 -25.228 14.2242 TIMING: 1104000 CPU: 3477.59, 0.00317132/step Wall: 3477.59, 0.00317131/step, 3.43207 hours remaining, 237.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1104000 3998.2122 20426.5260 14458.0373 249.5003 -203832.8919 2734.9531 0.0000 0.0000 52068.6105 -109897.0525 299.2390 -161965.6630 -109529.2326 299.1533 58.4495 81.3964 760034.6831 0.7102 0.7927 PRESSURE: 1104200 -22.3837 -27.4306 100.414 -27.4309 159.007 25.179 100.414 25.1794 47.4253 GPRESSURE: 1104200 -57.4881 -14.6626 104.774 39.9616 271.89 35.3822 206.828 -90.1737 62.0814 PRESSAVG: 1104200 -32.9176 18.4123 34.5578 18.4123 -27.2691 -36.1901 34.5579 -36.1902 6.13245 GPRESSAVG: 1104200 -33.4297 17.9585 34.3897 16.8138 -27.1788 -39.3868 35.6178 -35.4945 6.61368 TIMING: 1104200 CPU: 3478.22, 0.00317516/step Wall: 3478.22, 0.00317516/step, 3.43605 hours remaining, 237.511719 MB of memory in use. ENERGY: 1104200 3956.5189 20480.8920 14437.2688 278.7667 -203702.6084 2679.8805 0.0000 0.0000 51987.4752 -109881.8061 298.7727 -161869.2813 -109514.1137 298.4701 61.3496 92.1610 759888.0787 -18.0181 -17.9983 LDB: ============= START OF LOAD BALANCING ============== 3490.62 LDB: ============== END OF LOAD BALANCING =============== 3490.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3490.62 LDB: ============= START OF LOAD BALANCING ============== 3490.94 LDB: Largest compute 7077 load 0.033547 is 17.1% of average load 0.195825 LDB: Average compute 0.004383 is 2.2% of average load 0.195825 LDB: TIME 3490.94 LOAD: AVG 0.195825 MAX 0.214656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.219 MB LDB: TIME 3490.94 LOAD: AVG 0.195825 MAX 0.214656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: TIME 3490.94 LOAD: AVG 0.195825 MAX 0.214656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: ============== END OF LOAD BALANCING =============== 3490.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3490.95 PRESSURE: 1104400 -237.573 -168.153 -94.5774 -168.153 -585.459 115.862 -94.5766 115.862 -265.036 GPRESSURE: 1104400 -198.609 -198.199 -187.823 -127.704 -510.988 56.1881 -10.5432 195.892 -270.14 PRESSAVG: 1104400 -26.6529 18.6038 -14.1068 18.6038 17.5006 33.2421 -14.1068 33.242 2.01806 GPRESSAVG: 1104400 -27.0221 22.1695 -13.773 16.5611 18.5021 35.1463 -14.087 34.4818 1.47581 TIMING: 1104400 CPU: 3478.87, 0.00323281/step Wall: 3478.87, 0.00323281/step, 3.49826 hours remaining, 237.253906 MB of memory in use. ENERGY: 1104400 3964.5265 20532.9322 14320.0125 261.4499 -203012.4597 2185.9464 0.0000 0.0000 51773.2925 -109974.2996 297.5418 -161747.5922 -109613.5308 298.7264 -362.6891 -326.5792 760944.4347 -2.3781 -2.3480 PRESSURE: 1104600 -202.22 93.6245 32.2493 93.6256 257.88 154.329 32.2506 154.328 296.261 GPRESSURE: 1104600 -137.01 209.764 93.6405 -35.9016 274.62 117.903 -67.6157 287.72 282.287 PRESSAVG: 1104600 -65.9386 7.24101 -46.5742 7.24101 90.365 34.1306 -46.5741 34.1305 -52.7504 GPRESSAVG: 1104600 -65.7965 4.74839 -46.4336 9.78809 89.6835 34.0995 -47.4955 33.633 -52.4566 TIMING: 1104600 CPU: 3479.5, 0.0031575/step Wall: 3479.5, 0.0031575/step, 3.41659 hours remaining, 237.289062 MB of memory in use. ENERGY: 1104600 3947.3857 20495.7061 14380.1101 245.6278 -203318.9965 2510.6868 0.0000 0.0000 51975.6134 -109763.8667 298.7046 -161739.4800 -109406.8254 298.4481 117.3072 139.9658 758552.0540 -9.4413 -9.5232 PRESSURE: 1104800 16.2758 181.07 10.9091 181.07 131.451 98.4414 10.9089 98.4412 255.498 GPRESSURE: 1104800 9.62718 129.485 -20.3409 197.281 133.671 49.5023 -12.4594 165.747 326.815 PRESSAVG: 1104800 -0.422893 74.5474 -29.5128 74.5475 -13.4445 -18.142 -29.5128 -18.1421 26.4672 GPRESSAVG: 1104800 -0.350072 75.4422 -30.746 73.7473 -14.3245 -19.8284 -27.6595 -17.3414 27.0018 TIMING: 1104800 CPU: 3480.13, 0.00314284/step Wall: 3480.13, 0.00314284/step, 3.40055 hours remaining, 237.289062 MB of memory in use. ENERGY: 1104800 3994.0614 20286.3894 14440.3015 245.7484 -203434.0305 2388.3637 0.0000 0.0000 52297.3150 -109781.8512 300.5534 -162079.1662 -109413.8993 298.9949 134.4084 156.7045 758831.1564 4.1999 4.1091 PRESSURE: 1105000 241.108 12.7088 142.332 12.709 -60.4973 14.3962 142.332 14.3971 -159.967 GPRESSURE: 1105000 267.048 133.558 47.4506 148.43 -57.0913 -25.2693 237.513 0.0888374 -96.2907 PRESSAVG: 1105000 46.1981 21.6737 -25.0367 21.6738 6.42078 41.8397 -25.0368 41.8398 15.8644 GPRESSAVG: 1105000 46.2422 21.3311 -24.7991 22.2124 6.15716 42.7925 -26.6238 41.3886 15.8942 TIMING: 1105000 CPU: 3480.75, 0.00313802/step Wall: 3480.75, 0.00313802/step, 3.39516 hours remaining, 237.289062 MB of memory in use. ENERGY: 1105000 3887.0387 20544.0764 14421.1074 251.3790 -203290.2258 2420.0054 0.0000 0.0000 52047.7337 -109718.8852 299.1190 -161766.6189 -109362.0762 299.2343 6.8813 37.8888 760053.8861 22.8278 22.7645 PRESSURE: 1105200 165.183 -95.059 29.6284 -95.0592 -577.638 -24.4076 29.6285 -24.4086 -726.549 GPRESSURE: 1105200 156.926 -86.2935 74.4793 -66.8114 -554.051 88.7711 15.7582 -42.5169 -654.251 PRESSAVG: 1105200 13.1428 9.95521 43.499 9.95524 4.04625 -0.392794 43.4991 -0.392802 2.0942 GPRESSAVG: 1105200 13.6385 10.9738 44.0158 9.42349 4.28408 -0.848298 46.0539 -1.19862 1.56123 TIMING: 1105200 CPU: 3481.39, 0.00316854/step Wall: 3481.39, 0.00316854/step, 3.428 hours remaining, 237.289062 MB of memory in use. ENERGY: 1105200 4053.5748 20573.6289 14480.6332 234.0463 -203105.3923 1940.9839 0.0000 0.0000 52095.2429 -109727.2824 299.3921 -161822.5253 -109371.2720 299.2845 -379.6681 -350.4585 758988.4110 6.4277 6.4946 PRESSURE: 1105400 162.135 39.1656 -121.461 39.1666 -46.3724 -119.763 -121.461 -119.763 66.6534 GPRESSURE: 1105400 204.17 83.5602 -141.732 94.9358 13.9629 -112.22 -100.454 -28.6643 44.7244 PRESSAVG: 1105400 -4.13938 -21.7263 36.3632 -21.7263 -2.31896 14.4411 36.3632 14.4411 -8.93066 GPRESSAVG: 1105400 -4.29494 -22.5388 36.0488 -21.9777 -2.38662 16.7628 32.5212 13.9523 -9.04861 TIMING: 1105400 CPU: 3482.02, 0.00317925/step Wall: 3482.02, 0.00317925/step, 3.43942 hours remaining, 237.289062 MB of memory in use. ENERGY: 1105400 3994.6529 20480.1731 14505.2575 231.7946 -203650.9915 2663.3571 0.0000 0.0000 51988.1589 -109787.5975 298.7767 -161775.7564 -109433.4909 299.0495 60.8054 87.6191 760173.7565 -5.1297 -5.2434 PRESSURE: 1105600 404.69 -141.492 104.595 -141.493 49.14 -136.082 104.596 -136.082 66.9793 GPRESSURE: 1105600 406.978 -63.9145 151.286 -105.728 98.6703 -153.215 104.319 -72.6232 89.01 PRESSAVG: 1105600 -13.0694 16.7068 13.4154 16.7068 -10.7711 -1.84506 13.4154 -1.84515 10.8071 GPRESSAVG: 1105600 -15.1012 18.5212 14.0946 16.0818 -9.53613 -4.58051 15.7878 -1.06554 11.8186 TIMING: 1105600 CPU: 3482.65, 0.00314656/step Wall: 3482.65, 0.00314656/step, 3.40387 hours remaining, 237.289062 MB of memory in use. ENERGY: 1105600 4000.3265 20390.6761 14510.3698 262.8909 -203679.0703 2559.3296 0.0000 0.0000 51956.2088 -109999.2687 298.5930 -161955.4775 -109641.2977 298.8300 173.6030 198.2194 759919.6948 -4.3445 -4.2729 PRESSURE: 1105800 -314.02 18.4785 -40.3471 18.479 138.641 5.95445 -40.3485 5.95364 317.445 GPRESSURE: 1105800 -162.712 38.9408 -67.9696 54.5975 73.494 39.093 -104.514 38.2933 300.701 PRESSAVG: 1105800 29.247 -11.6094 37.7884 -11.6094 0.440923 16.2869 37.7885 16.2869 -20.2564 GPRESSAVG: 1105800 29.8292 -12.8641 37.0202 -10.6776 -0.528651 18.0107 36.9371 17.195 -20.3686 TIMING: 1105800 CPU: 3483.29, 0.00316249/step Wall: 3483.29, 0.00316249/step, 3.42094 hours remaining, 237.468750 MB of memory in use. ENERGY: 1105800 3949.9625 20471.3418 14418.5623 237.8782 -203476.7805 2483.4846 0.0000 0.0000 51914.7576 -110000.7936 298.3548 -161915.5511 -109652.3113 298.7033 47.3551 70.4945 759766.5945 3.1438 2.9773 PRESSURE: 1106000 204.857 221 -38.2862 221.001 -77.3413 -75.9909 -38.2869 -75.9927 466.708 GPRESSURE: 1106000 221.025 142.788 -79.7077 293.271 62.7087 -202.843 -77.2556 -32.9769 405.632 PRESSAVG: 1106000 -9.66622 46.4964 -71.2744 46.4964 9.17479 -38.2857 -71.2744 -38.2856 8.07276 GPRESSAVG: 1106000 -9.62297 45.772 -70.2556 45.6901 10.239 -39.2965 -71.5709 -40.3333 6.64523 TIMING: 1106000 CPU: 3483.92, 0.00316519/step Wall: 3483.92, 0.00316519/step, 3.42368 hours remaining, 237.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1106000 4014.0730 20436.9595 14414.4876 237.1811 -203657.5841 2565.6856 0.0000 0.0000 51925.5864 -110063.6109 298.4171 -161989.1973 -109705.4505 298.3900 198.0746 229.7886 760809.5961 2.5271 2.4204 PRESSURE: 1106200 -147.675 -58.0819 -21.9485 -58.0818 -76.9046 79.9241 -21.9483 79.9235 413.69 GPRESSURE: 1106200 -32.8117 15.3289 -43.4344 0.489166 -133.594 125.611 -4.66985 35.971 457.615 PRESSAVG: 1106200 26.4351 5.81795 -5.54658 5.81791 -50.2251 26.7556 -5.54657 26.7556 -14.1092 GPRESSAVG: 1106200 26.4861 5.97409 -5.74625 6.31453 -50.989 26.5777 -5.18917 29.9557 -13.2868 TIMING: 1106200 CPU: 3484.56, 0.00318826/step Wall: 3484.56, 0.00318826/step, 3.44846 hours remaining, 237.468750 MB of memory in use. ENERGY: 1106200 3920.9288 20599.7638 14363.7147 255.4380 -203611.1669 2492.2940 0.0000 0.0000 51746.4045 -110232.6231 297.3873 -161979.0276 -109874.5257 298.1210 63.0368 97.0696 760911.8169 -12.6330 -12.5966 PRESSURE: 1106400 -165.914 -178.373 98.7983 -178.374 -295.297 160.922 98.7984 160.922 423.622 GPRESSURE: 1106400 -25.2837 -140.696 54.4694 -312.603 -306.221 218.673 118.396 160.684 382.902 PRESSAVG: 1106400 -14.323 -14.3952 -19.1737 -14.3953 -10.7829 22.0171 -19.1737 22.017 6.5081 GPRESSAVG: 1106400 -14.6177 -13.4121 -20.0042 -15.8676 -10.9227 21.7425 -17.1367 21.956 7.32463 TIMING: 1106400 CPU: 3485.19, 0.00316754/step Wall: 3485.19, 0.00316754/step, 3.42587 hours remaining, 237.468750 MB of memory in use. ENERGY: 1106400 3970.1544 20486.3867 14455.5525 235.2139 -204039.1524 2822.6426 0.0000 0.0000 51914.2188 -110154.9835 298.3517 -162069.2023 -109791.6177 297.8699 -12.5297 17.1327 761082.9351 -6.1993 -6.0719 PRESSURE: 1106600 -183.363 -89.019 165.165 -89.0195 -10.0035 209.528 165.165 209.528 303.993 GPRESSURE: 1106600 -108.032 -90.9376 35.4888 -57.4355 -1.76103 181.996 246.428 189.917 315.414 PRESSAVG: 1106600 1.04081 18.969 -32.8676 18.9691 43.1367 -46.9268 -32.8676 -46.9267 -12.8212 GPRESSAVG: 1106600 2.85825 17.275 -32.3595 20.1894 42.0648 -46.5821 -34.9902 -49.8621 -14.4271 TIMING: 1106600 CPU: 3485.82, 0.00313833/step Wall: 3485.82, 0.00313833/step, 3.39411 hours remaining, 237.468750 MB of memory in use. ENERGY: 1106600 3986.1128 20485.8920 14430.8915 243.2321 -203968.5980 2698.1375 0.0000 0.0000 52050.8665 -110073.4656 299.1370 -162124.3322 -109711.2121 298.1449 36.8755 68.5402 761097.2125 10.4521 10.1653 PRESSURE: 1106800 -80.1131 -104.061 -11.4863 -104.062 -23.7509 123.55 -11.4857 123.55 -28.3434 GPRESSURE: 1106800 -26.1551 -64.2662 59.8815 -39.1273 53.0234 76.3055 -35.7739 -19.172 -71.2234 PRESSAVG: 1106800 1.98833 20.9719 -23.0066 20.9718 -8.0841 -27.9942 -23.0067 -27.9943 15.3569 GPRESSAVG: 1106800 0.0702188 22.1466 -22.3726 20.0792 -7.49279 -27.9075 -19.4088 -27.1168 16.6276 TIMING: 1106800 CPU: 3486.45, 0.00315859/step Wall: 3486.45, 0.00315859/step, 3.41584 hours remaining, 237.468750 MB of memory in use. ENERGY: 1106800 3965.2636 20485.4106 14483.5988 247.0971 -203930.2905 2748.9605 0.0000 0.0000 51953.7981 -110046.1617 298.5792 -161999.9598 -109686.1633 298.2703 -44.0691 -14.7850 760321.8899 3.0870 3.0683 PRESSURE: 1107000 14.8889 265.147 -103.129 265.147 -44.2112 150.639 -103.13 150.638 -98.0928 GPRESSURE: 1107000 67.0518 232.134 -171.248 127.803 -69.0655 147.305 19.6461 137.114 -34.0893 PRESSAVG: 1107000 -18.0733 -12.766 -9.11617 -12.7659 11.5269 5.96912 -9.11624 5.96906 -1.82698 GPRESSAVG: 1107000 -19.1547 -12.9142 -13.2592 -12.1722 12.7389 4.78489 -9.27864 7.26222 -2.09887 TIMING: 1107000 CPU: 3487.08, 0.00314554/step Wall: 3487.08, 0.00314554/step, 3.40156 hours remaining, 237.468750 MB of memory in use. ENERGY: 1107000 3942.8651 20520.9172 14410.8523 241.8076 -203475.2799 2475.4399 0.0000 0.0000 51693.4025 -110189.9952 297.0827 -161883.3978 -109817.6718 298.1604 -42.4717 -12.0343 762564.8627 -2.7911 -2.8382 PRESSURE: 1107200 -115.294 -132.949 148.123 -132.95 -229.953 101.137 148.123 101.137 -92.2565 GPRESSURE: 1107200 -36.9395 -115.163 133.324 -45.4296 -230.702 81.2807 206.23 160.248 -99.3174 PRESSAVG: 1107200 14.3768 12.9933 0.602366 12.9933 -24.2717 46.997 0.602327 46.9969 -12.5151 GPRESSAVG: 1107200 16.2586 13.9116 3.64977 12.8395 -25.8531 48.7063 -2.21811 48.913 -12.8712 TIMING: 1107200 CPU: 3487.71, 0.0031367/step Wall: 3487.71, 0.0031367/step, 3.39181 hours remaining, 237.468750 MB of memory in use. ENERGY: 1107200 3965.6188 20284.9857 14496.9466 230.9940 -203770.0202 2588.5330 0.0000 0.0000 52007.5234 -110195.4187 298.8880 -162202.9421 -109831.7326 298.0068 -145.8344 -122.3196 762149.8517 -7.4700 -7.4885 PRESSURE: 1107400 -279.781 -171.285 19.8066 -171.285 -416.606 157.848 19.8066 157.849 90.3202 GPRESSURE: 1107400 -322.481 -141.073 34.6019 -104.39 -305.365 89.038 43.3302 247.87 119.943 PRESSAVG: 1107400 40.2217 24.0009 11.2594 24.0009 0.801421 17.8388 11.2593 17.8388 -0.679167 GPRESSAVG: 1107400 39.2764 22.5207 11.4132 22.9439 0.171108 17.06 14.6293 14.5521 0.413102 TIMING: 1107400 CPU: 3488.34, 0.00315617/step Wall: 3488.34, 0.00315617/step, 3.4127 hours remaining, 237.468750 MB of memory in use. ENERGY: 1107400 3998.9695 20600.9211 14328.9771 250.7693 -203587.6827 2426.9956 0.0000 0.0000 51737.5182 -110243.5320 297.3362 -161981.0502 -109885.9863 298.1527 -202.0223 -169.3009 761843.5949 13.4480 13.2869 PRESSURE: 1107600 -197.463 -234.678 -75.0839 -234.678 -459.43 14.1796 -75.0841 14.1812 354.629 GPRESSURE: 1107600 -121.941 -187.62 -62.83 -259.961 -391.857 27.9333 -119.941 68.6789 279.808 PRESSAVG: 1107600 23.3213 -52.6507 30.3508 -52.6506 19.7157 -11.2249 30.3507 -11.2248 22.3218 GPRESSAVG: 1107600 23.7687 -52.8996 30.4123 -51.401 19.3179 -10.1307 28.4628 -11.3049 21.9298 TIMING: 1107600 CPU: 3488.97, 0.00316043/step Wall: 3488.97, 0.00316043/step, 3.41713 hours remaining, 237.468750 MB of memory in use. ENERGY: 1107600 3970.2126 20352.8583 14461.4725 259.2844 -203990.1316 2712.0441 0.0000 0.0000 51982.1453 -110252.1143 298.7421 -162234.2596 -109893.4070 297.9208 -100.7544 -77.9970 760928.3665 21.7863 21.6721 PRESSURE: 1107800 -129.187 -125.477 23.7785 -125.476 -128.4 -66.1689 23.7784 -66.1681 -141.283 GPRESSURE: 1107800 -111.564 -4.22952 -117.055 -168.158 -13.3881 -6.56911 157.901 -204.835 -187.831 PRESSAVG: 1107800 20.7102 18.0575 -17.2907 18.0575 -30.4208 89.2037 -17.2907 89.2036 -10.4445 GPRESSAVG: 1107800 21.3062 18.5195 -17.0822 19.9632 -28.8666 87.7689 -15.7946 89.6305 -12.3817 TIMING: 1107800 CPU: 3489.6, 0.00315446/step Wall: 3489.6, 0.00315446/step, 3.41049 hours remaining, 237.468750 MB of memory in use. ENERGY: 1107800 3958.3573 20349.1766 14428.0289 249.8167 -203856.8907 2659.7375 0.0000 0.0000 52099.0653 -110112.7084 299.4140 -162211.7737 -109741.0432 298.0798 -132.9566 -104.2611 760595.2093 -6.7183 -6.6474 PRESSURE: 1108000 -137.581 76.0576 -235.954 76.058 -60.8188 -250.544 -235.954 -250.544 -172.807 GPRESSURE: 1108000 -55.7928 27.7495 -93.2392 72.0087 -102.871 -262.182 -190.122 -266.053 -146.34 PRESSAVG: 1108000 15.4099 -3.485 37.7926 -3.48495 20.1688 -15.3432 37.7926 -15.3432 29.5162 GPRESSAVG: 1108000 14.7596 -2.54416 38.6323 -4.95709 20.0558 -13.8565 34.441 -15.4982 30.6381 TIMING: 1108000 CPU: 3490.23, 0.00313929/step Wall: 3490.23, 0.00313929/step, 3.39392 hours remaining, 237.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1108000 3988.7338 20541.2262 14392.2015 248.6304 -204021.3184 2837.0658 0.0000 0.0000 51950.4222 -110063.0386 298.5598 -162013.4608 -109695.5328 298.4597 -123.7356 -101.6678 760689.7365 21.6983 21.8178 PRESSURE: 1108200 84.1502 45.1224 -283.179 45.1223 263.561 -61.9973 -283.178 -61.9977 -132.806 GPRESSURE: 1108200 206.917 146.612 -230.387 -86.9325 212.635 63.6761 -239.738 2.80481 -126.481 PRESSAVG: 1108200 -8.15356 -2.15772 -15.4792 -2.15771 -18.9099 10.1836 -15.4792 10.1836 -15.3941 GPRESSAVG: 1108200 -8.70375 -3.17056 -15.2503 -2.53102 -17.8526 10.1238 -13.9366 9.54945 -15.9642 TIMING: 1108200 CPU: 3490.86, 0.00315413/step Wall: 3490.86, 0.00315413/step, 3.40979 hours remaining, 237.468750 MB of memory in use. ENERGY: 1108200 3936.0978 20492.2591 14452.2774 245.3810 -203932.3299 2839.7173 0.0000 0.0000 51934.4065 -110032.1906 298.4677 -161966.5972 -109676.0103 298.2474 71.6352 97.6905 760330.7628 -14.1525 -14.1735 LDB: ============= START OF LOAD BALANCING ============== 3503.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3503.26 LDB: =============== DONE WITH MIGRATION ================ 3503.26 LDB: ============= START OF LOAD BALANCING ============== 3503.58 LDB: Largest compute 7074 load 0.033453 is 17.1% of average load 0.195951 LDB: Average compute 0.004359 is 2.2% of average load 0.195951 LDB: TIME 3503.58 LOAD: AVG 0.195951 MAX 0.216633 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.57 MB LDB: TIME 3503.58 LOAD: AVG 0.195951 MAX 0.216633 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.773 MB LDB: TIME 3503.58 LOAD: AVG 0.195951 MAX 0.216633 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.773 MB LDB: ============== END OF LOAD BALANCING =============== 3503.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3503.59 PRESSURE: 1108400 -135.436 -56.4 130.835 -56.3996 -295.283 -92.6266 130.835 -92.6268 79.2472 GPRESSURE: 1108400 -150.957 -74.0684 126.962 -105 -215.943 -29.127 54.1986 -160.394 83.0414 PRESSAVG: 1108400 -16.0634 -27.8499 -44.4049 -27.8499 45.4637 -6.44468 -44.405 -6.44471 28.1428 GPRESSAVG: 1108400 -15.4329 -28.7287 -46.058 -28.0365 44.5893 -6.68046 -44.0497 -3.43057 28.3325 TIMING: 1108400 CPU: 3491.51, 0.00323789/step Wall: 3491.51, 0.00323789/step, 3.50016 hours remaining, 237.796875 MB of memory in use. ENERGY: 1108400 4075.6714 20427.8945 14344.2098 248.7804 -203547.1412 2651.7765 0.0000 0.0000 51654.7602 -110144.0483 296.8606 -161798.8085 -109785.1698 298.2833 -117.1573 -94.6195 761201.9613 19.1810 19.1630 PRESSURE: 1108600 -145.141 -12.6102 -116.028 -12.6113 -81.8425 156.892 -116.028 156.892 251.848 GPRESSURE: 1108600 -17.0879 -150.8 -58.553 31.6359 -85.5316 177.217 -161.532 119.316 194.914 PRESSAVG: 1108600 -17.3089 6.06891 24.2035 6.0689 75.2861 16.9563 24.2035 16.9563 5.62402 GPRESSAVG: 1108600 -17.5047 5.55839 25.6349 7.24399 74.6236 15.2727 22.4317 16.0736 6.50824 TIMING: 1108600 CPU: 3492.14, 0.00316613/step Wall: 3492.14, 0.00316613/step, 3.42241 hours remaining, 237.851562 MB of memory in use. ENERGY: 1108600 3944.9187 20396.9644 14434.6690 241.3166 -203757.0458 2623.8501 0.0000 0.0000 51849.2526 -110266.0743 297.9784 -162115.3270 -109905.5699 297.7547 8.2880 30.7648 759789.6340 21.2004 21.2090 PRESSURE: 1108800 22.8562 108.082 -32.3785 108.082 568.742 21.9383 -32.3784 21.9378 126.723 GPRESSURE: 1108800 66.0945 227.008 -17.4787 106.186 453.214 -28.5324 -121.788 77.4298 291.073 PRESSAVG: 1108800 -13.1598 36.4845 10.9162 36.4845 6.41846 -24.5957 10.9161 -24.5956 -29.9331 GPRESSAVG: 1108800 -12.5855 37.9114 10.3659 35.0841 5.09506 -24.004 12.5561 -26.1911 -29.7216 TIMING: 1108800 CPU: 3492.77, 0.00317189/step Wall: 3492.77, 0.00317189/step, 3.42846 hours remaining, 237.851562 MB of memory in use. ENERGY: 1108800 3944.7387 20477.5124 14417.6028 257.1710 -203962.3042 2735.9278 0.0000 0.0000 52059.5651 -110069.7866 299.1870 -162129.3517 -109694.7186 298.2610 239.4404 270.1271 760102.9781 -12.2248 -12.4040 PRESSURE: 1109000 -39.2514 -253.475 -154.328 -253.475 -132.568 -45.0825 -154.329 -45.0816 -79.4855 GPRESSURE: 1109000 118.857 -56.826 -143.962 -196.661 -164.767 -56.8973 -162.648 -40.5332 -128.681 PRESSAVG: 1109000 58.3329 -27.9309 24.7898 -27.9309 -35.1111 -1.8134 24.7897 -1.81344 -10.6143 GPRESSAVG: 1109000 59.8797 -30.224 26.7553 -26.5391 -34.6781 0.210838 22.0449 -0.641078 -12.2839 TIMING: 1109000 CPU: 3493.41, 0.00317366/step Wall: 3493.41, 0.00317366/step, 3.4302 hours remaining, 237.851562 MB of memory in use. ENERGY: 1109000 4012.9782 20646.3347 14452.8109 248.7754 -204087.5670 2947.0286 0.0000 0.0000 51750.6844 -110028.9549 297.4119 -161779.6393 -109675.7638 298.7614 -83.7684 -58.1970 760373.5764 4.2025 4.3059 PRESSURE: 1109200 -257.479 23.8613 -113.181 23.8613 300.052 61.7329 -113.181 61.7326 -266.614 GPRESSURE: 1109200 -260.228 38.5023 -167.132 26.9018 276.239 93.5807 -150.105 -95.0506 -167.535 PRESSAVG: 1109200 42.6566 -5.85027 -36.6461 -5.85028 -6.89963 38.483 -36.6461 38.483 8.54184 GPRESSAVG: 1109200 40.7726 -4.83582 -39.2456 -5.17135 -6.50732 37.5286 -34.3686 37.7617 10.1195 TIMING: 1109200 CPU: 3494.04, 0.00315721/step Wall: 3494.04, 0.00315721/step, 3.41224 hours remaining, 237.886719 MB of memory in use. ENERGY: 1109200 3941.9523 20309.7280 14493.7862 229.9026 -203769.1709 2466.1688 0.0000 0.0000 52205.3349 -110122.2980 300.0248 -162327.6329 -109752.6788 298.2898 -74.6805 -50.5078 760627.8651 14.7663 14.7950 PRESSURE: 1109400 62.6532 -14.3619 135.727 -14.3629 -54.5425 27.8608 135.726 27.861 -313.73 GPRESSURE: 1109400 81.4925 -51.7329 220.758 26.2485 36.4589 3.45911 53.4785 162.017 -352.779 PRESSAVG: 1109400 7.78855 -1.0208 -18.2811 -1.0208 -45.5799 12.1042 -18.2811 12.1042 -17.9143 GPRESSAVG: 1109400 7.83124 -1.85238 -17.26 -1.45106 -45.3084 13.3499 -19.2289 13.0779 -18.2433 TIMING: 1109400 CPU: 3494.67, 0.00314891/step Wall: 3494.67, 0.00314891/step, 3.4031 hours remaining, 237.886719 MB of memory in use. ENERGY: 1109400 3969.4359 20426.1834 14432.7953 254.7430 -203277.6141 2413.8983 0.0000 0.0000 51623.3442 -110157.2139 296.6801 -161780.5581 -109801.2945 298.2627 -101.8731 -78.2758 761907.2002 -18.5686 -18.5735 PRESSURE: 1109600 201.601 -377.831 2.30711 -377.831 91.2375 274.764 2.30642 274.764 -235.777 GPRESSURE: 1109600 154.088 -416.668 22.9795 -321.148 128.509 236.837 20.8088 214.18 -150.319 PRESSAVG: 1109600 20.6653 -55.7893 30.5403 -55.7893 13.4281 38.1628 30.5403 38.1628 8.52126 GPRESSAVG: 1109600 20.7281 -55.9337 29.1393 -56.3043 13.1399 37.9598 31.5972 35.9944 8.55306 TIMING: 1109600 CPU: 3495.3, 0.00314927/step Wall: 3495.3, 0.00314927/step, 3.40331 hours remaining, 237.886719 MB of memory in use. ENERGY: 1109600 3955.6077 20437.3834 14479.9462 253.3810 -203937.2728 2731.2513 0.0000 0.0000 51850.4043 -110229.2989 297.9850 -162079.7031 -109868.8653 297.6152 19.0205 44.0925 761720.1470 14.2049 14.1403 PRESSURE: 1109800 -222.359 22.7142 -249.01 22.7148 -7.26496 -63.4625 -249.009 -63.4618 187.49 GPRESSURE: 1109800 -211.498 -18.7751 -176.323 -110.759 86.2866 34.3557 -156.087 -55.5105 175.425 PRESSAVG: 1109800 12.0785 -67.1291 2.26851 -67.1291 -4.29409 61.9585 2.2685 61.9585 -9.98567 GPRESSAVG: 1109800 12.2037 -66.0718 4.11197 -67.8191 -3.95041 61.2432 0.427052 63.062 -10.2834 TIMING: 1109800 CPU: 3495.93, 0.00315108/step Wall: 3495.93, 0.00315108/step, 3.4051 hours remaining, 237.886719 MB of memory in use. ENERGY: 1109800 3968.3823 20522.7808 14478.1101 247.8370 -204095.1325 2817.1587 0.0000 0.0000 51805.8294 -110255.0341 297.7288 -162060.8635 -109897.0318 297.8114 -14.0446 16.7377 760080.6259 -0.7338 -0.6767 PRESSURE: 1110000 -238.515 -37.8136 -237.569 -37.8151 -57.0035 -5.28773 -237.569 -5.28853 -119.711 GPRESSURE: 1110000 -144.752 -47.2173 -206.642 104.8 -65.6118 20.9072 -196.46 70.5956 -123.092 PRESSAVG: 1110000 7.81328 -5.72919 -14.6296 -5.72924 -15.8364 78.2394 -14.6296 78.2393 5.08523 GPRESSAVG: 1110000 7.98497 -5.4154 -15.1349 -3.50401 -15.604 77.8509 -13.775 77.741 5.12108 TIMING: 1110000 CPU: 3496.56, 0.00314194/step Wall: 3496.56, 0.00314194/step, 3.39504 hours remaining, 237.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1110000 3945.0808 20620.9880 14507.5972 241.2486 -203824.4098 2618.9344 0.0000 0.0000 51763.3125 -110127.2483 297.4845 -161890.5608 -109775.4737 298.0404 -138.4099 -111.1520 760882.7905 -0.9793 -0.8327 PRESSURE: 1110200 6.3639 73.0613 102.975 73.0613 -60.0812 37.8846 102.975 37.8836 -43.2345 GPRESSURE: 1110200 43.8675 58.4034 114.412 40.4442 -11.7351 101.357 156.273 73.999 -42.222 PRESSAVG: 1110200 34.2958 -3.13453 -30.4464 -3.13449 -62.0677 -22.9933 -30.4464 -22.9933 -22.7595 GPRESSAVG: 1110200 33.8232 -1.45248 -28.7077 -5.36056 -61.9372 -23.0831 -32.5077 -22.8123 -22.7243 TIMING: 1110200 CPU: 3497.19, 0.00315853/step Wall: 3497.19, 0.00315853/step, 3.41279 hours remaining, 237.886719 MB of memory in use. ENERGY: 1110200 4026.8578 20414.5004 14474.0793 268.2530 -204347.4381 3023.4382 0.0000 0.0000 51905.2119 -110235.0975 298.3000 -162140.3094 -109871.4500 298.3693 -32.3173 -3.3632 760613.9851 -16.8438 -16.9461 PRESSURE: 1110400 74.9654 -194.227 49.6559 -194.227 379.109 -72.9554 49.6558 -72.956 256.995 GPRESSURE: 1110400 174.744 -65.5154 17.1337 -130.329 338.459 -41.2441 157.852 -165.777 274.198 PRESSAVG: 1110400 54.4051 1.41708 -1.65817 1.41707 -72.4255 -22.9184 -1.65821 -22.9185 33.1321 GPRESSAVG: 1110400 55.2547 1.36281 -3.4091 3.94432 -72.8856 -22.5569 0.68459 -22.6161 33.2066 TIMING: 1110400 CPU: 3497.83, 0.00317779/step Wall: 3497.83, 0.00317779/step, 3.43343 hours remaining, 237.886719 MB of memory in use. ENERGY: 1110400 4010.9733 20591.6449 14498.3399 237.3668 -204498.5182 3154.2023 0.0000 0.0000 51835.8926 -110170.0986 297.9016 -162005.9912 -109811.5067 297.5661 237.0232 262.4669 759905.0611 5.0372 5.1919 PRESSURE: 1110600 -183.273 -128.356 10.8254 -128.356 -119.7 108.344 10.8253 108.345 -23.4863 GPRESSURE: 1110600 -90.178 -183.745 21.8742 -179.107 -123.817 55.4221 -11.1717 158.683 -47.0707 PRESSAVG: 1110600 93.1349 -67.9374 27.7287 -67.9375 -55.4053 2.15451 27.7286 2.15456 -10.7151 GPRESSAVG: 1110600 91.8392 -69.1042 28.2128 -69.8664 -54.1775 1.23399 26.5935 3.5745 -10.2096 TIMING: 1110600 CPU: 3498.46, 0.00316989/step Wall: 3498.46, 0.00316989/step, 3.42472 hours remaining, 237.886719 MB of memory in use. ENERGY: 1110600 3965.5100 20445.7126 14425.8300 228.2150 -203924.2234 2784.9375 0.0000 0.0000 51963.5138 -110110.5046 298.6350 -162074.0184 -109741.1411 298.2001 -108.8197 -87.0219 761834.3891 9.0048 9.1507 PRESSURE: 1110800 314.972 -180.721 -169.284 -180.721 -106.015 187.818 -169.284 187.818 -165.722 GPRESSURE: 1110800 357.456 -155.148 -188.857 -166.77 -97.8636 176.438 -65.9251 47.0834 -134.735 PRESSAVG: 1110800 52.643 -10.9101 -5.60416 -10.9101 -45.2459 -3.0257 -5.60418 -3.0257 28.215 GPRESSAVG: 1110800 53.9344 -11.5937 -3.57928 -9.95552 -46.2071 -1.56587 -5.1462 -5.36756 28.6262 TIMING: 1110800 CPU: 3499.09, 0.00313451/step Wall: 3499.09, 0.00313451/step, 3.38631 hours remaining, 237.886719 MB of memory in use. ENERGY: 1110800 4004.1989 20396.5207 14463.9569 247.5119 -204004.8645 2560.4898 0.0000 0.0000 52253.8410 -110078.3452 300.3035 -162332.1862 -109709.3862 298.4293 14.4117 41.6193 761092.8612 11.8707 12.1178 PRESSURE: 1111000 -156.058 200.757 118.692 200.757 -270.298 109.661 118.692 109.661 -210.252 GPRESSURE: 1111000 -87.8752 118.811 144.75 96.9673 -294.371 156.211 1.40971 77.1974 -189.115 PRESSAVG: 1111000 20.7739 -52.7974 -7.24361 -52.7974 -30.8418 -7.19612 -7.24359 -7.19603 -6.70932 GPRESSAVG: 1111000 20.8446 -51.7906 -9.60826 -53.7919 -30.1432 -6.9013 -8.27764 -6.88274 -7.57523 TIMING: 1111000 CPU: 3499.71, 0.00313384/step Wall: 3499.71, 0.00313384/step, 3.38542 hours remaining, 237.886719 MB of memory in use. ENERGY: 1111000 4010.9561 20522.8587 14425.5030 248.4188 -203715.7393 2684.5344 0.0000 0.0000 51752.8675 -110070.6008 297.4244 -161823.4683 -109703.0533 298.0448 -212.2029 -190.4540 762056.1022 -5.5924 -5.6246 PRESSURE: 1111200 -132.097 -120.525 -1.84974 -120.525 -238.81 -335.639 -1.84973 -335.639 178.64 GPRESSURE: 1111200 -57.9241 -51.3848 46.9793 -102.503 -185.181 -257.451 -166.438 -226.964 142.983 PRESSAVG: 1111200 -16.6911 14.9908 17.5266 14.9907 -1.63783 -6.18355 17.5266 -6.18353 11.901 GPRESSAVG: 1111200 -17.518 15.5216 16.9802 14.9135 0.226269 -7.98032 16.6028 -4.99274 11.3934 TIMING: 1111200 CPU: 3500.34, 0.00313718/step Wall: 3500.34, 0.00313718/step, 3.38885 hours remaining, 237.886719 MB of memory in use. ENERGY: 1111200 4027.6933 20496.2412 14476.2645 245.8797 -203996.5263 2825.2172 0.0000 0.0000 51924.8688 -110000.3616 298.4129 -161925.2305 -109655.0158 297.7236 -64.0892 -33.3740 760779.7905 -2.1426 -1.9661 PRESSURE: 1111400 -529.252 202.643 130.39 202.643 -297.609 -135.124 130.39 -135.124 78.3917 GPRESSURE: 1111400 -478.138 138.063 113.29 201.388 -364.852 -134.438 153.388 78.8948 182.778 PRESSAVG: 1111400 -28.698 25.4553 18.9123 25.4553 13.1171 -41.2868 18.9124 -41.2868 13.8753 GPRESSAVG: 1111400 -28.7247 24.3168 18.6191 24.4418 11.5675 -40.244 19.8763 -41.8294 15.1421 TIMING: 1111400 CPU: 3500.97, 0.00315866/step Wall: 3500.97, 0.00315866/step, 3.41188 hours remaining, 237.886719 MB of memory in use. ENERGY: 1111400 3988.5480 20452.8541 14502.4734 249.7317 -203556.1011 2541.9972 0.0000 0.0000 51792.8007 -110027.6960 297.6539 -161820.4967 -109666.6104 298.1762 -249.4898 -220.0706 762522.2911 -0.5685 -0.6717 PRESSURE: 1111600 234.806 -117.182 -12.522 -117.182 -177.631 137.894 -12.5224 137.895 36.6157 GPRESSURE: 1111600 270.555 37.7882 -18.2734 -48.904 -131.812 88.2357 -92.6649 31.4943 58.5167 PRESSAVG: 1111600 -25.1411 16.6885 16.0211 16.6884 31.1363 -7.24689 16.0211 -7.24684 6.39819 GPRESSAVG: 1111600 -24.5034 17.5739 16.8305 18.3317 32.0532 -7.67152 16.1765 -5.94853 5.25672 TIMING: 1111600 CPU: 3501.61, 0.00316348/step Wall: 3501.61, 0.00316348/step, 3.41691 hours remaining, 237.886719 MB of memory in use. ENERGY: 1111600 4119.3110 20544.3233 14501.2997 233.0252 -203962.3946 2684.4619 0.0000 0.0000 51926.1131 -109953.8603 298.4201 -161879.9734 -109593.3543 298.4660 31.2637 65.7531 760474.3305 4.1311 4.2688 PRESSURE: 1111800 -311.778 -44.9403 -69.4038 -44.9403 -212.851 134.773 -69.4043 134.773 81.7507 GPRESSURE: 1111800 -293.55 -103.637 10.3494 -89.5183 -52.337 14.8479 -41.895 163.976 -13.4912 PRESSAVG: 1111800 -11.7149 34.7218 -4.14745 34.7219 45.6539 -22.6005 -4.14745 -22.6005 -3.34233 GPRESSAVG: 1111800 -11.5735 33.2281 -3.77487 34.2848 45.6528 -21.6671 -4.81094 -24.5952 -3.10726 TIMING: 1111800 CPU: 3502.24, 0.00315966/step Wall: 3502.24, 0.00315965/step, 3.4126 hours remaining, 237.886719 MB of memory in use. ENERGY: 1111800 3965.1280 20450.7633 14445.1548 241.6392 -203651.1310 2594.0861 0.0000 0.0000 52048.6564 -109905.7032 299.1243 -161954.3597 -109546.9567 299.0459 -147.6263 -119.7926 762485.6996 10.1989 10.3240 PRESSURE: 1112000 -163.613 55.3264 -61.8496 55.326 -75.9003 -184.706 -61.8496 -184.706 152.91 GPRESSURE: 1112000 -115.365 46.7748 -72.3234 -117.324 -57.7564 -116.248 15.6883 -72.0962 194.295 PRESSAVG: 1112000 -19.834 -14.5699 10.4941 -14.57 39.9871 8.36884 10.4941 8.36884 19.5411 GPRESSAVG: 1112000 -19.4169 -14.8403 10.7312 -13.2716 38.9967 9.34459 11.0435 9.60072 19.6174 TIMING: 1112000 CPU: 3502.87, 0.00314246/step Wall: 3502.87, 0.00314246/step, 3.39386 hours remaining, 237.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1112000 3992.4047 20527.9840 14496.6181 256.8568 -203646.0155 2719.7616 0.0000 0.0000 51837.7538 -109814.6365 297.9123 -161652.3903 -109455.2253 299.1100 -28.8675 7.0577 760828.5386 13.2314 13.0657 PRESSURE: 1112200 -141.845 -55.7191 -348.839 -55.7188 -668.581 -299.612 -348.839 -299.614 -429.501 GPRESSURE: 1112200 -262.63 -87.4725 -260.322 -35.5735 -480.011 -305.484 -178.558 -193.687 -416.451 PRESSAVG: 1112200 -10.1317 -35.9248 -32.931 -35.9249 11.8351 33.9455 -32.9311 33.9454 -10.9885 GPRESSAVG: 1112200 -11.1317 -33.8875 -32.3013 -37.6642 11.6043 32.9666 -32.5605 33.2993 -9.82702 TIMING: 1112200 CPU: 3503.5, 0.00315438/step Wall: 3503.5, 0.00315438/step, 3.40655 hours remaining, 237.886719 MB of memory in use. ENERGY: 1112200 4084.7635 20503.1928 14535.4566 223.8407 -203537.6062 2421.5240 0.0000 0.0000 52129.8023 -109639.0263 299.5907 -161768.8286 -109265.3909 298.8310 -413.3093 -386.3639 762330.5436 -3.0950 -3.1181 LDB: ============= START OF LOAD BALANCING ============== 3515.9 LDB: ============== END OF LOAD BALANCING =============== 3515.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3515.9 LDB: ============= START OF LOAD BALANCING ============== 3516.22 LDB: Largest compute 7077 load 0.036197 is 18.5% of average load 0.195926 LDB: Average compute 0.004382 is 2.2% of average load 0.195926 LDB: TIME 3516.22 LOAD: AVG 0.195926 MAX 0.21772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.254 MB LDB: TIME 3516.22 LOAD: AVG 0.195926 MAX 0.21772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.254 MB LDB: TIME 3516.22 LOAD: AVG 0.195926 MAX 0.21772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.254 MB LDB: ============== END OF LOAD BALANCING =============== 3516.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.23 PRESSURE: 1112400 -19.0786 -34.2964 88.3104 -34.2966 93.9254 178.346 88.311 178.345 157.487 GPRESSURE: 1112400 58.681 -85.4394 60.4927 82.216 151.272 163.029 134.479 82.7235 111.921 PRESSAVG: 1112400 45.1203 -33.8781 -16.1381 -33.8782 -83.9819 3.45649 -16.1382 3.45646 6.7327 GPRESSAVG: 1112400 44.2134 -36.2105 -16.7973 -33.6763 -82.5658 3.55021 -16.9078 4.57815 6.31482 TIMING: 1112400 CPU: 3504.14, 0.00323793/step Wall: 3504.14, 0.00323793/step, 3.49661 hours remaining, 237.230469 MB of memory in use. ENERGY: 1112400 4068.6378 20566.0508 14512.5731 254.5826 -203985.9241 2985.7124 0.0000 0.0000 51961.6879 -109636.6795 298.6245 -161598.3675 -109283.6696 299.6430 77.4446 107.2913 759946.0927 -10.7096 -10.6792 PRESSURE: 1112600 -24.4247 -62.5861 -72.687 -62.5853 -161.416 -34.7775 -72.687 -34.7791 -92.8951 GPRESSURE: 1112600 14.1075 72.1184 -113.29 -128.693 -168.749 30.031 -184.703 -24.3919 -43.3772 PRESSAVG: 1112600 16.3257 -5.33362 45.4612 -5.33357 -28.6549 -4.86559 45.4613 -4.86562 -35.6741 GPRESSAVG: 1112600 16.0362 -2.78871 45.8526 -5.59786 -28.4875 -4.48359 43.638 -4.98638 -35.8257 TIMING: 1112600 CPU: 3504.77, 0.00314662/step Wall: 3504.77, 0.00314662/step, 3.39783 hours remaining, 237.472656 MB of memory in use. ENERGY: 1112600 4041.0749 20546.7902 14499.0130 240.2874 -203295.7096 2333.8396 0.0000 0.0000 52144.0082 -109490.6962 299.6723 -161634.7044 -109129.3608 299.2523 -92.9120 -66.0063 761470.8031 -16.0011 -16.0923 PRESSURE: 1112800 36.8209 -141.68 172.114 -141.681 -132.264 -106.057 172.113 -106.057 263.657 GPRESSURE: 1112800 54.1862 -18.9911 229.995 -13.7373 -102.395 -140.634 235.643 -114.773 305.145 PRESSAVG: 1112800 0.647584 -25.0693 33.7711 -25.0694 38.793 -37.9267 33.7711 -37.9267 5.23047 GPRESSAVG: 1112800 1.58643 -24.7758 34.2274 -25.7321 37.5286 -36.2337 37.1724 -38.6062 5.92595 TIMING: 1112800 CPU: 3505.41, 0.00315934/step Wall: 3505.41, 0.00315934/step, 3.41139 hours remaining, 237.472656 MB of memory in use. ENERGY: 1112800 3982.7645 20554.1193 14499.7711 255.6116 -203238.4342 2482.9934 0.0000 0.0000 51983.9731 -109479.2012 298.7526 -161463.1743 -109112.0407 299.3818 56.0712 85.6455 760411.8759 14.8904 15.0136 PRESSURE: 1113000 26.398 -171.341 -14.5187 -171.34 -112.664 -98.3666 -14.5198 -98.368 -133.871 GPRESSURE: 1113000 34.2728 -139.213 -140.598 -154.049 -113.539 -144.964 62.7283 -112.897 -51.928 PRESSAVG: 1113000 -30.0439 10.2137 15.4411 10.2138 29.3386 -32.954 15.4411 -32.9541 -21.6863 GPRESSAVG: 1113000 -30.7316 9.7347 15.2004 13.618 31.0899 -33.7048 14.6062 -33.242 -22.7161 TIMING: 1113000 CPU: 3506.04, 0.00315394/step Wall: 3506.04, 0.00315394/step, 3.40538 hours remaining, 237.472656 MB of memory in use. ENERGY: 1113000 3996.4593 20570.0092 14420.0722 235.8660 -202873.8296 2361.8616 0.0000 0.0000 51781.7558 -109507.8055 297.5905 -161289.5613 -109143.8065 299.0491 -73.3788 -43.7315 762241.7466 -7.4638 -7.4526 PRESSURE: 1113200 -65.4415 -133.121 -117.463 -133.122 172.249 -160.567 -117.463 -160.567 404.126 GPRESSURE: 1113200 70.1198 -156.374 -168.75 -110.701 190.414 -146.658 -56.0399 -155.791 333.274 PRESSAVG: 1113200 25.9974 -16.3652 13.6911 -16.3652 -3.21815 10.9906 13.691 10.9905 -32.2631 GPRESSAVG: 1113200 27.4824 -17.4313 13.0899 -18.7173 -4.5277 10.6992 10.4378 10.6582 -32.5705 TIMING: 1113200 CPU: 3506.67, 0.00315538/step Wall: 3506.67, 0.00315538/step, 3.40676 hours remaining, 237.472656 MB of memory in use. ENERGY: 1113200 3877.4778 20460.7840 14394.4925 266.9910 -203200.5274 2415.6288 0.0000 0.0000 52166.3863 -109618.7670 299.8009 -161785.1533 -109239.5550 298.7590 170.3113 197.9359 761862.8545 -3.1613 -3.2053 PRESSURE: 1113400 -564.942 66.7499 156.48 66.7487 -180.439 155.343 156.48 155.344 -205.094 GPRESSURE: 1113400 -520.112 158.599 168.095 39.1239 -113.9 115.845 87.6367 178.399 -233.158 PRESSAVG: 1113400 9.97983 1.19056 7.97108 1.19052 -18.0632 -4.96532 7.97112 -4.96536 -5.47695 GPRESSAVG: 1113400 9.61465 2.29717 8.8354 1.19277 -18.3422 -5.2434 8.0411 -5.64277 -5.68026 TIMING: 1113400 CPU: 3507.29, 0.00313229/step Wall: 3507.29, 0.00313229/step, 3.38166 hours remaining, 237.472656 MB of memory in use. ENERGY: 1113400 4051.7720 20496.3835 14447.6676 232.4112 -202974.2367 2247.0417 0.0000 0.0000 51986.5049 -109512.4558 298.7672 -161498.9607 -109141.5382 298.8852 -316.8248 -289.0568 762857.8605 -4.5201 -4.8026 PRESSURE: 1113600 -4.56402 120.197 -177.534 120.197 178.755 30.7753 -177.534 30.7746 21.6994 GPRESSURE: 1113600 8.41177 179.755 -177.035 230.024 184.196 27.1044 -47.6843 -39.0486 102.037 PRESSAVG: 1113600 33.323 -8.6095 1.28649 -8.60945 -28.4277 23.0349 1.28652 23.0349 -12.1725 GPRESSAVG: 1113600 31.8978 -9.37156 -1.22112 -6.07205 -27.5745 22.9816 5.39986 24.2592 -11.2954 TIMING: 1113600 CPU: 3507.92, 0.0031511/step Wall: 3507.92, 0.0031511/step, 3.40179 hours remaining, 237.472656 MB of memory in use. ENERGY: 1113600 3919.1891 20420.4336 14478.4265 233.5156 -203079.1815 2505.2524 0.0000 0.0000 52085.5471 -109436.8173 299.3364 -161522.3644 -109076.9115 299.2578 65.2967 98.2149 761463.2853 -2.4257 -2.3240 PRESSURE: 1113800 395.443 43.5363 -76.2101 43.5358 -59.2282 34.9767 -76.2108 34.9777 -305.072 GPRESSURE: 1113800 390.627 -143.564 -43.2726 120.257 -30.2646 -82.4813 25.2303 132.45 -238.766 PRESSAVG: 1113800 18.4868 11.1992 -7.55935 11.1992 -10.5087 39.8478 -7.55931 39.8478 -20.4221 GPRESSAVG: 1113800 19.7663 9.21541 -7.08217 10.088 -11.3862 38.9668 -7.17793 39.9032 -20.981 TIMING: 1113800 CPU: 3508.55, 0.00314524/step Wall: 3508.55, 0.00314524/step, 3.39529 hours remaining, 237.472656 MB of memory in use. ENERGY: 1113800 3935.3041 20530.5545 14466.2741 246.6608 -203166.5065 2564.9699 0.0000 0.0000 52077.1897 -109345.5534 299.2883 -161422.7431 -108986.7573 299.4553 10.3810 40.5321 763034.4633 -4.1480 -4.2003 PRESSURE: 1114000 21.8237 130.539 -173.034 130.539 205.273 -43.6144 -173.034 -43.6142 275.755 GPRESSURE: 1114000 30.1687 123.614 -133.224 134.396 199.687 -56.1786 -223.403 -67.5777 357.323 PRESSAVG: 1114000 -18.9776 -16.8841 -7.79507 -16.8842 2.99179 -66.022 -7.79509 -66.0219 -4.52809 GPRESSAVG: 1114000 -19.6783 -15.7189 -5.06106 -18.385 3.83418 -66.3914 -11.1261 -65.0545 -4.52005 TIMING: 1114000 CPU: 3509.18, 0.00314479/step Wall: 3509.18, 0.00314479/step, 3.39463 hours remaining, 237.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1114000 3972.0944 20559.8309 14454.8501 239.1923 -203196.6784 2469.4930 0.0000 0.0000 52005.1940 -109496.0237 298.8746 -161501.2178 -109134.7783 298.7432 167.6174 195.7263 762374.7522 -6.8380 -6.7881 PRESSURE: 1114200 -31.2122 -39.1997 55.2977 -39.1987 70.8425 178.279 55.2975 178.279 418.019 GPRESSURE: 1114200 103.934 -106.579 60.7331 24.4757 26.7781 119.151 18.8097 268.942 396.265 PRESSAVG: 1114200 -8.97768 -17.1094 -13.7036 -17.1093 19.0998 12.2101 -13.7036 12.2101 -5.7845 GPRESSAVG: 1114200 -9.17528 -18.7827 -14.0936 -14.4157 18.4944 12.7388 -12.9399 11.8702 -5.43303 TIMING: 1114200 CPU: 3509.81, 0.00315507/step Wall: 3509.81, 0.00315507/step, 3.40555 hours remaining, 237.472656 MB of memory in use. ENERGY: 1114200 3986.0653 20484.0730 14437.8328 247.8036 -203195.0011 2694.7313 0.0000 0.0000 51928.9669 -109415.5282 298.4365 -161344.4951 -109058.9949 299.0449 152.5497 175.6590 763628.4741 1.4459 1.2954 PRESSURE: 1114400 91.2202 -105.043 108.168 -105.042 187.217 170.849 108.167 170.849 3.60452 GPRESSURE: 1114400 122.48 26.1039 45.93 -78.4963 251.036 160.475 23.6907 155.638 -0.186264 PRESSAVG: 1114400 -16.8288 -20.4823 -19.1711 -20.4822 6.90037 29.8568 -19.1712 29.8569 17.3085 GPRESSAVG: 1114400 -16.3633 -17.8087 -21.6438 -21.4117 6.20652 29.9948 -17.9753 29.7405 17.6112 TIMING: 1114400 CPU: 3510.45, 0.00316088/step Wall: 3510.45, 0.00316088/step, 3.41164 hours remaining, 237.472656 MB of memory in use. ENERGY: 1114400 3994.2324 20624.8594 14512.4435 226.7353 -203230.7691 2645.8439 0.0000 0.0000 51933.1411 -109293.5135 298.4605 -161226.6546 -108931.2725 298.7526 94.0139 124.4433 763815.5998 2.4600 2.4848 PRESSURE: 1114600 -189.608 116.92 107.999 116.919 -151.86 -8.75322 107.999 -8.75372 300.898 GPRESSURE: 1114600 -129.242 153.681 94.5487 128.084 -117.781 -6.21958 203.103 -11.4971 291.278 PRESSAVG: 1114600 -19.0604 32.1505 23.8123 32.1505 0.252947 19.2616 23.8124 19.2616 7.70592 GPRESSAVG: 1114600 -19.166 31.167 24.4222 33.5352 0.763589 17.9705 23.0391 17.7489 7.09867 TIMING: 1114600 CPU: 3511.08, 0.00315896/step Wall: 3511.08, 0.00315896/step, 3.4094 hours remaining, 237.472656 MB of memory in use. ENERGY: 1114600 3997.7168 20453.8361 14514.6943 248.5013 -202717.9801 2310.5553 0.0000 0.0000 52023.4495 -109169.2268 298.9795 -161192.6763 -108809.5325 299.8457 -13.5234 14.7515 763851.9037 -3.7005 -3.7679 PRESSURE: 1114800 47.5248 -84.0462 -123.291 -84.0458 468.41 78.2725 -123.291 78.2728 293.708 GPRESSURE: 1114800 158.841 -110.005 -135.37 -53.9288 447.107 121.593 -114.412 153.223 285.157 PRESSAVG: 1114800 -29.8876 70.6105 4.77635 70.6105 14.4045 22.8659 4.77636 22.8659 -19.536 GPRESSAVG: 1114800 -29.3582 70.5677 5.14056 68.5072 13.0813 24.9993 3.13093 21.8989 -19.2932 TIMING: 1114800 CPU: 3511.71, 0.00314701/step Wall: 3511.71, 0.00314701/step, 3.39632 hours remaining, 237.472656 MB of memory in use. ENERGY: 1114800 3971.3445 20604.1487 14459.1725 251.9251 -203598.1362 2941.0003 0.0000 0.0000 52292.9466 -109077.5986 300.5283 -161370.5452 -108716.7851 300.1226 269.8808 297.0351 761669.8415 -11.6731 -11.8567 PRESSURE: 1115000 -255.4 260.701 -303.483 260.702 342.224 -133.705 -303.482 -133.706 20.5431 GPRESSURE: 1115000 -216.772 292.448 -209.051 198.133 410.873 -111.61 -162.664 -60.7039 0.587294 PRESSAVG: 1115000 4.01943 89.7276 -21.9243 89.7277 37.2498 29.1694 -21.9243 29.1693 7.8782 GPRESSAVG: 1115000 3.6342 91.9149 -22.5874 90.3578 37.6112 29.8978 -17.972 31.847 7.98431 TIMING: 1115000 CPU: 3512.33, 0.00313957/step Wall: 3512.33, 0.00313957/step, 3.38812 hours remaining, 237.472656 MB of memory in use. ENERGY: 1115000 3961.0687 20753.9767 14417.7971 246.0328 -203506.9988 2670.5609 0.0000 0.0000 52028.9496 -109428.6131 299.0111 -161457.5627 -109066.3089 299.6383 35.7891 64.8961 762212.0852 16.3825 16.4099 PRESSURE: 1115200 66.982 256.795 44.749 256.794 173.458 7.61297 44.7488 7.6132 69.0779 GPRESSURE: 1115200 69.5581 194.134 95.3853 269.028 260.599 21.9364 -44.337 -57.6799 64.2917 PRESSAVG: 1115200 4.21205 32.371 -15.984 32.371 -8.23016 29.0052 -15.984 29.0051 -13.4449 GPRESSAVG: 1115200 3.74865 29.015 -15.5207 32.4722 -7.53321 27.3497 -17.3303 29.8332 -13.4176 TIMING: 1115200 CPU: 3512.96, 0.00313806/step Wall: 3512.96, 0.00313806/step, 3.38631 hours remaining, 237.472656 MB of memory in use. ENERGY: 1115200 4031.6146 20573.7267 14424.4750 249.1563 -203550.4055 2770.2536 0.0000 0.0000 52019.8900 -109481.2894 298.9590 -161501.1794 -109108.3275 299.4073 103.1726 131.4828 760532.4755 -5.8210 -5.7341 PRESSURE: 1115400 -455.583 55.3728 -47.1096 55.374 97.6566 -302.075 -47.1096 -302.075 -276.34 GPRESSURE: 1115400 -430.188 124.322 -37.266 6.59526 254.465 -254.413 171.975 -237.994 -370.137 PRESSAVG: 1115400 -13.5039 1.10009 -18.0903 1.10006 24.6588 25.6255 -18.0903 25.6255 15.9343 GPRESSAVG: 1115400 -13.5031 1.63701 -18.3219 0.0249406 25.4436 27.2515 -17.5378 25.6077 15.5817 TIMING: 1115400 CPU: 3513.59, 0.00314865/step Wall: 3513.59, 0.00314865/step, 3.39757 hours remaining, 237.472656 MB of memory in use. ENERGY: 1115400 3954.7182 20533.3845 14347.2536 230.1202 -203009.2353 2111.3338 0.0000 0.0000 52227.0273 -109605.3979 300.1494 -161832.4251 -109241.0615 299.4823 -211.4221 -181.9532 760877.5202 9.0297 9.1741 PRESSURE: 1115600 -148.328 -191.742 52.8057 -191.743 -107.138 -73.5002 52.8059 -73.5008 234.529 GPRESSURE: 1115600 -180.593 -274.638 43.0598 -160.986 -8.7221 6.90809 83.9778 -78.2055 259.375 PRESSAVG: 1115600 -41.2534 -20.0379 -15.7524 -20.0379 7.2315 -7.31323 -15.7524 -7.31329 -22.1676 GPRESSAVG: 1115600 -41.2283 -19.5367 -17.0589 -19.6695 6.44251 -7.75174 -15.8911 -7.84336 -21.5042 TIMING: 1115600 CPU: 3514.22, 0.00314926/step Wall: 3514.22, 0.00314926/step, 3.39805 hours remaining, 237.472656 MB of memory in use. ENERGY: 1115600 3966.2388 20675.0739 14455.0856 230.5541 -203821.9654 2818.8073 0.0000 0.0000 52099.5845 -109576.6211 299.4170 -161676.2056 -109209.0492 298.9615 -6.9788 23.3533 761796.3048 -18.7298 -18.7633 PRESSURE: 1115800 -83.0483 -42.9116 -157.142 -42.912 -321.586 109.247 -157.142 109.247 -110.602 GPRESSURE: 1115800 -8.09154 -59.3553 -164.256 -52.8445 -362.515 137.443 -205.073 10.8081 -88.6965 PRESSAVG: 1115800 -22.7211 14.6641 -1.19038 14.6641 -2.14215 24.0357 -1.19037 24.0358 -8.50472 GPRESSAVG: 1115800 -22.5549 13.458 1.32028 14.805 -2.9414 23.592 -1.96362 25.454 -8.44516 TIMING: 1115800 CPU: 3514.85, 0.00316548/step Wall: 3514.85, 0.00316548/step, 3.41537 hours remaining, 237.472656 MB of memory in use. ENERGY: 1115800 3934.7242 20603.4013 14449.2079 246.6698 -203584.7832 2529.5237 0.0000 0.0000 52288.3309 -109532.9254 300.5018 -161821.2563 -109171.3354 298.9762 -171.7456 -153.1011 760866.4380 -11.1227 -11.3138 PRESSURE: 1116000 124.077 -89.3638 117.517 -89.3648 32.6153 102.319 117.517 102.319 -127.302 GPRESSURE: 1116000 138.262 -43.2219 172.036 -32.0101 163.85 127.089 36.9898 224.09 -175.476 PRESSAVG: 1116000 3.93262 -2.03278 -9.41111 -2.03276 20.5957 -11.3648 -9.41115 -11.3649 34.3933 GPRESSAVG: 1116000 3.20627 0.64409 -10.9634 -2.0771 22.1801 -9.86065 -9.48211 -13.3004 34.0987 TIMING: 1116000 CPU: 3515.48, 0.00313843/step Wall: 3515.48, 0.00313843/step, 3.38602 hours remaining, 237.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1116000 4028.7715 20491.8264 14461.7094 264.5581 -203495.0267 2811.2546 0.0000 0.0000 52086.7089 -109350.1977 299.3430 -161436.9066 -108983.1324 299.8028 9.7967 42.2120 761449.3735 19.6405 19.8284 PRESSURE: 1116200 -165.127 -19.4574 -198.62 -19.4566 -167.9 -141.54 -198.619 -141.541 -102.228 GPRESSURE: 1116200 -99.889 -30.7767 -142.031 58.1534 -158.961 -133.268 -7.67616 -7.34134 -95.7677 PRESSAVG: 1116200 6.0391 29.8827 -6.22199 29.8827 -11.3768 2.67774 -6.22199 2.67778 -2.9829 GPRESSAVG: 1116200 6.42473 28.2561 -5.87664 31.2633 -12.2309 3.10724 -5.4585 3.04437 -1.9334 TIMING: 1116200 CPU: 3516.11, 0.00314872/step Wall: 3516.11, 0.00314872/step, 3.39695 hours remaining, 237.472656 MB of memory in use. ENERGY: 1116200 4000.5386 20594.2564 14494.4392 242.3790 -203357.8664 2584.4918 0.0000 0.0000 52105.8695 -109335.8920 299.4531 -161441.7614 -108963.0628 299.7218 -145.0851 -118.2060 763703.3388 -2.7735 -2.5799 LDB: ============= START OF LOAD BALANCING ============== 3528.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3528.51 LDB: =============== DONE WITH MIGRATION ================ 3528.51 LDB: ============= START OF LOAD BALANCING ============== 3528.82 LDB: Largest compute 7077 load 0.035377 is 18.1% of average load 0.195954 LDB: Average compute 0.004360 is 2.2% of average load 0.195954 LDB: TIME 3528.83 LOAD: AVG 0.195954 MAX 0.215047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.203 MB LDB: TIME 3528.83 LOAD: AVG 0.195954 MAX 0.215047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.203 MB LDB: TIME 3528.83 LOAD: AVG 0.195954 MAX 0.215047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.203 MB LDB: ============== END OF LOAD BALANCING =============== 3528.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3528.84 PRESSURE: 1116400 37.7921 165.355 136.695 165.355 178.323 377.799 136.695 377.798 27.0651 GPRESSURE: 1116400 61.4262 10.7014 114.461 67.02 195.901 279.478 -61.2355 368.027 96.7631 PRESSAVG: 1116400 3.34415 -8.75522 6.93971 -8.7553 -10.9524 6.81298 6.93976 6.81303 -10.9522 GPRESSAVG: 1116400 3.29766 -8.25258 7.74078 -11.0863 -10.142 4.33847 5.03862 5.6597 -11.7124 TIMING: 1116400 CPU: 3516.75, 0.00320502/step Wall: 3516.75, 0.00320502/step, 3.4575 hours remaining, 238.000000 MB of memory in use. ENERGY: 1116400 3959.0868 20663.7285 14493.2892 249.6790 -203309.5148 2520.1164 0.0000 0.0000 52398.0596 -109025.5553 301.1324 -161423.6149 -108643.9385 300.2807 81.0602 118.0300 762027.2073 -6.1868 -6.1856 PRESSURE: 1116600 -386.46 -49.7916 -27.7208 -49.79 -146.081 -154.885 -27.7202 -154.885 -137.23 GPRESSURE: 1116600 -365.746 -228.572 -58.7511 -54.4849 -65.6575 -98.2814 18.3345 25.928 -142.653 PRESSAVG: 1116600 33.6584 -5.90328 -17.2778 -5.90328 -29.0667 57.6788 -17.2779 57.6788 -17.7121 GPRESSAVG: 1116600 33.2031 -5.5586 -18.7082 -3.69362 -28.7939 57.7546 -16.775 60.4506 -17.4773 TIMING: 1116600 CPU: 3517.38, 0.0031434/step Wall: 3517.38, 0.0031434/step, 3.39085 hours remaining, 238.125000 MB of memory in use. ENERGY: 1116600 4001.7275 20567.8255 14549.2914 220.1299 -203300.7677 2695.7802 0.0000 0.0000 52231.4659 -109034.5473 300.1750 -161266.0132 -108673.1649 300.6734 -223.2572 -191.3524 763366.1878 -4.3735 -4.3560 PRESSURE: 1116800 -12.4345 -113.399 83.6955 -113.4 -17.903 -26.7071 83.6953 -26.7074 359.375 GPRESSURE: 1116800 -5.27623 2.03253 154.279 -137.518 77.0315 -11.4849 -0.927926 -62.0287 354.174 PRESSAVG: 1116800 -21.616 30.9396 26.3339 30.9397 -2.93392 29.3055 26.3339 29.3054 -12.7326 GPRESSAVG: 1116800 -20.5424 30.8 26.989 30.7775 -3.51201 30.472 28.1136 28.0053 -12.773 TIMING: 1116800 CPU: 3518.01, 0.00313505/step Wall: 3518.01, 0.00313505/step, 3.38168 hours remaining, 238.125000 MB of memory in use. ENERGY: 1116800 4039.0350 20472.3485 14443.1981 239.3544 -203110.2666 2653.5487 0.0000 0.0000 52302.3983 -108960.3835 300.5826 -161262.7818 -108591.5923 300.4076 109.6792 141.9764 763342.9054 -12.4275 -12.2758 PRESSURE: 1117000 -216.311 174.968 80.8084 174.969 227.544 -86.0251 80.8082 -86.0251 103.43 GPRESSURE: 1117000 -127.983 111.855 99.7842 221.087 291.72 -49.5852 42.2028 -19.4204 48.9827 PRESSAVG: 1117000 -55.4017 22.6102 46.486 22.6102 37.6838 -3.68738 46.4861 -3.68739 -14.7193 GPRESSAVG: 1117000 -54.4661 22.7177 46.752 22.5505 38.18 -2.39535 43.5027 -3.20372 -15.4461 TIMING: 1117000 CPU: 3518.64, 0.00315171/step Wall: 3518.64, 0.0031517/step, 3.39946 hours remaining, 238.125000 MB of memory in use. ENERGY: 1117000 4011.2640 20550.9330 14513.3242 259.2838 -203115.4018 2536.2905 0.0000 0.0000 52304.9684 -108939.3379 300.5974 -161244.3063 -108576.7118 299.8263 38.2212 70.9065 761876.3957 -10.8124 -10.5774 PRESSURE: 1117200 -123.102 -278.702 160.728 -278.702 36.5313 189.792 160.728 189.791 200.415 GPRESSURE: 1117200 -163.566 -256.053 62.782 -80.8804 74.314 68.6336 88.2426 175.724 303.724 PRESSAVG: 1117200 -34.7219 14.0836 34.1732 14.0836 49.0663 10.6743 34.1733 10.6743 3.98068 GPRESSAVG: 1117200 -35.4434 12.1422 35.0044 15.668 49.1139 8.65701 36.5934 12.0516 5.10076 TIMING: 1117200 CPU: 3519.27, 0.00313476/step Wall: 3519.27, 0.00313476/step, 3.38101 hours remaining, 238.125000 MB of memory in use. ENERGY: 1117200 3991.8440 20545.1677 14446.8065 246.5799 -203352.5125 2962.5699 0.0000 0.0000 52273.4032 -108886.1412 300.4160 -161159.5444 -108519.0077 300.0921 37.9480 71.4908 763852.7970 6.1084 6.2571 PRESSURE: 1117400 -195.145 -46.0436 241.52 -46.0437 38.0944 -41.2311 241.52 -41.233 -164.311 GPRESSURE: 1117400 -113.538 28.6153 223.57 62.5746 29.7472 -71.0726 246.127 -160.133 -168.519 PRESSAVG: 1117400 -21.6251 17.5112 26.1396 17.5112 -0.058993 24.9394 26.1396 24.9395 -4.5862 GPRESSAVG: 1117400 -20.9603 18.7675 24.1347 17.7092 -0.427948 25.5157 26.3135 23.38 -4.8963 TIMING: 1117400 CPU: 3519.89, 0.00313791/step Wall: 3519.89, 0.00313791/step, 3.38423 hours remaining, 238.335938 MB of memory in use. ENERGY: 1117400 4061.1417 20460.1075 14474.4384 264.3148 -203240.8582 2536.1936 0.0000 0.0000 52220.9303 -109223.7319 300.1144 -161444.6622 -108865.8921 299.9882 -107.1205 -84.1034 764512.6980 -8.7568 -8.7615 PRESSURE: 1117600 -240.084 -51.2954 117.082 -51.2948 -1.73309 -109.91 117.082 -109.911 -240.61 GPRESSURE: 1117600 -125.76 93.2461 121.907 -84.4581 -59.0728 -46.4806 85.253 -13.1135 -219.318 PRESSAVG: 1117600 -5.42824 -3.04993 8.69632 -3.0499 1.39353 -60.1393 8.69628 -60.1392 -9.60198 GPRESSAVG: 1117600 -4.65684 -4.11356 9.81074 -5.60513 0.633289 -58.9093 8.27952 -60.0929 -8.98483 TIMING: 1117600 CPU: 3520.52, 0.00313964/step Wall: 3520.52, 0.00313964/step, 3.38593 hours remaining, 238.335938 MB of memory in use. ENERGY: 1117600 4048.8290 20686.9852 14541.7925 244.3946 -203398.8156 2668.5489 0.0000 0.0000 51945.3937 -109262.8717 298.5309 -161208.2653 -108903.8981 299.9525 -160.8091 -134.7167 762820.5875 -4.5456 -4.3361 PRESSURE: 1117800 -8.37262 -215.154 -171.648 -215.154 31.9721 -94.7751 -171.648 -94.7746 -315.363 GPRESSURE: 1117800 -22.6447 -6.32282 -164.221 -144.308 48.5055 -181.79 -275.32 -173.06 -220.532 PRESSAVG: 1117800 11.4343 26.2631 8.74621 26.2632 -22.5809 -11.8686 8.74617 -11.8687 2.94955 GPRESSAVG: 1117800 10.1989 27.0465 8.6076 26.8303 -21.9878 -13.6784 6.36165 -9.36881 3.81012 TIMING: 1117800 CPU: 3521.15, 0.00316112/step Wall: 3521.15, 0.00316112/step, 3.40892 hours remaining, 238.335938 MB of memory in use. ENERGY: 1117800 4039.4980 20524.6497 14461.6320 236.6910 -203466.8824 2842.5015 0.0000 0.0000 52221.9541 -109139.9559 300.1203 -161361.9101 -108771.8228 300.2099 -97.2544 -64.8904 762497.2064 -2.7324 -2.6596 PRESSURE: 1118000 -210.01 150.836 55.2307 150.836 -190.3 51.6594 55.2311 51.6602 -309.175 GPRESSURE: 1118000 -134.38 134.161 77.8677 168.53 -214.773 89.866 25.9099 -23.9409 -261.257 PRESSAVG: 1118000 27.3218 8.74092 -49.7609 8.74089 -44.3836 -25.9079 -49.7608 -25.9079 11.2003 GPRESSAVG: 1118000 29.6474 8.58723 -49.5342 8.64518 -45.4613 -26.6664 -46.6686 -29.7942 9.64239 TIMING: 1118000 CPU: 3521.78, 0.00315625/step Wall: 3521.78, 0.00315625/step, 3.40349 hours remaining, 238.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1118000 3986.2709 20569.2836 14446.4285 244.4270 -202929.0939 2638.9141 0.0000 0.0000 51981.4839 -109062.2859 298.7383 -161043.7698 -108696.7777 300.3732 -236.4950 -203.4701 763753.9228 -1.9538 -2.0572 PRESSURE: 1118200 157.67 224.499 122.059 224.5 118.249 -54.3588 122.059 -54.36 -221.084 GPRESSURE: 1118200 66.4916 210.775 171.354 272.666 165.691 -56.0973 125.479 40.0389 -99.1673 PRESSAVG: 1118200 23.8766 33.7027 58.3708 33.7027 -43.5064 -10.1399 58.3708 -10.1398 7.91186 GPRESSAVG: 1118200 22.1605 33.7407 58.5222 35.1033 -41.4293 -9.15178 56.6299 -5.9696 7.61758 TIMING: 1118200 CPU: 3522.41, 0.00315036/step Wall: 3522.41, 0.00315036/step, 3.39696 hours remaining, 238.335938 MB of memory in use. ENERGY: 1118200 4056.1844 20674.0318 14525.2172 230.5107 -203384.5123 2587.4177 0.0000 0.0000 52195.1038 -109116.0466 299.9660 -161311.1505 -108762.6482 300.0712 18.2788 44.3385 763895.2532 -3.9060 -3.8837 PRESSURE: 1118400 -231.697 -25.9811 -55.9374 -25.9808 -358.943 9.53368 -55.9371 9.53462 46.0618 GPRESSURE: 1118400 -148.277 33.0686 -26.249 3.71083 -351.777 123.851 -21.2145 -71.3901 31.4661 PRESSAVG: 1118400 -13.7257 54.4254 -7.5433 54.4254 -14.991 29.167 -7.54332 29.1671 0.11072 GPRESSAVG: 1118400 -12.6264 53.5295 -6.8066 53.3187 -15.3135 29.0459 -5.97733 26.5079 -0.747802 TIMING: 1118400 CPU: 3523.04, 0.00313344/step Wall: 3523.04, 0.00313344/step, 3.37854 hours remaining, 238.335938 MB of memory in use. ENERGY: 1118400 3955.0375 20609.7242 14452.6034 267.7430 -203609.0916 2943.5231 0.0000 0.0000 52172.7243 -109207.7362 299.8374 -161380.4605 -108853.1655 300.3162 -181.5261 -156.1958 763775.3344 -9.5353 -9.5626 PRESSURE: 1118600 -102.379 111.671 -69.4818 111.671 19.1117 1.42346 -69.4816 1.42303 237.295 GPRESSURE: 1118600 -58.2432 62.014 -5.61094 140.536 19.3288 -21.5726 32.2538 -54.0646 276.619 PRESSAVG: 1118600 -3.52901 12.3878 -26.2727 12.3878 -6.42935 -26.311 -26.2726 -26.311 -3.88864 GPRESSAVG: 1118600 -4.26208 12.649 -27.3951 12.5158 -6.38319 -27.0537 -27.6172 -25.4286 -3.00187 TIMING: 1118600 CPU: 3523.67, 0.00315304/step Wall: 3523.67, 0.00315304/step, 3.39951 hours remaining, 238.335938 MB of memory in use. ENERGY: 1118600 3964.7223 20577.3559 14462.4267 240.7489 -203616.9530 2955.7735 0.0000 0.0000 52173.6637 -109242.2620 299.8428 -161415.9257 -108871.2239 300.3230 51.3427 79.2348 762895.0622 -4.6157 -4.5490 PRESSURE: 1118800 -175.475 178.739 -41.8689 178.738 324.719 46.7181 -41.8699 46.7188 207.342 GPRESSURE: 1118800 -99.3889 173.438 -26.0205 254.94 281.648 115.587 -3.67993 -12.4235 262.958 PRESSAVG: 1118800 -35.6135 15.5843 27.7055 15.5843 30.8564 -21.6748 27.7056 -21.6748 -28.6373 GPRESSAVG: 1118800 -34.3985 16.4464 27.9053 15.6244 29.3568 -19.5332 28.0475 -24.5261 -28.1191 TIMING: 1118800 CPU: 3524.3, 0.00314348/step Wall: 3524.3, 0.00314348/step, 3.38902 hours remaining, 238.335938 MB of memory in use. ENERGY: 1118800 4078.3239 20539.7694 14479.9607 233.6038 -203302.1927 2585.8014 0.0000 0.0000 52219.2436 -109165.4898 300.1047 -161384.7334 -108808.8011 299.8690 118.8622 148.4055 762507.1525 -11.1315 -11.0536 PRESSURE: 1119000 387.435 119.198 -56.8638 119.199 -93.2827 -10.8729 -56.8631 -10.8732 -272.846 GPRESSURE: 1119000 330.406 120.219 -21.5652 94.7523 -58.5827 -82.2737 -178.546 75.3006 -170.725 PRESSAVG: 1119000 67.2964 22.24 8.17304 22.2401 -21.0196 8.10354 8.17304 8.10351 -2.49565 GPRESSAVG: 1119000 65.4006 22.7094 7.59137 21.3599 -20.4408 6.69716 9.50177 9.54325 -1.9532 TIMING: 1119000 CPU: 3524.93, 0.00313941/step Wall: 3524.93, 0.00313941/step, 3.38446 hours remaining, 238.335938 MB of memory in use. ENERGY: 1119000 3987.5230 20646.5155 14425.3292 256.9481 -203300.6322 2582.2382 0.0000 0.0000 52349.0676 -109053.0106 300.8508 -161402.0782 -108689.3694 299.8030 7.1022 33.6996 762121.5526 14.5937 14.3355 PRESSURE: 1119200 517.097 33.4838 93.6782 33.4836 124.348 213.387 93.6791 213.386 423.812 GPRESSURE: 1119200 459.461 46.7954 53.6679 -49.8344 200.251 236.785 40.9135 190.732 482.756 PRESSAVG: 1119200 77.152 -5.02715 25.6059 -5.02708 -41.9197 28.584 25.6059 28.584 -25.846 GPRESSAVG: 1119200 76.8237 -5.5219 26.6593 -4.55872 -40.1503 27.9248 24.0083 29.8721 -27.8526 TIMING: 1119200 CPU: 3525.56, 0.00315242/step Wall: 3525.56, 0.00315242/step, 3.3983 hours remaining, 238.335938 MB of memory in use. ENERGY: 1119200 4023.7818 20596.9006 14423.7734 259.6230 -203376.2057 2993.4653 0.0000 0.0000 52149.3134 -108929.3482 299.7028 -161078.6616 -108569.2555 300.0184 355.0860 380.8224 762200.5665 3.1288 2.9403 PRESSURE: 1119400 -32.3458 6.98114 -69.4934 6.98085 -21.1994 -160.282 -69.4943 -160.28 114.162 GPRESSURE: 1119400 49.9829 -59.7618 -50.3654 -13.9764 -3.48876 -142.225 -130.141 -156.353 103.516 PRESSAVG: 1119400 -4.33825 -32.2556 -4.97672 -32.2556 -0.815603 -24.7235 -4.97668 -24.7236 0.921824 GPRESSAVG: 1119400 -5.27041 -31.0436 -4.89545 -32.1923 -1.81386 -25.2959 -5.41047 -25.6186 2.18698 TIMING: 1119400 CPU: 3526.19, 0.00314888/step Wall: 3526.19, 0.00314888/step, 3.39431 hours remaining, 238.335938 MB of memory in use. ENERGY: 1119400 4064.3801 20342.3188 14437.9839 230.3454 -203178.5597 2740.0047 0.0000 0.0000 52179.8431 -109183.6837 299.8783 -161363.5268 -108803.2267 300.1769 20.2057 50.0034 763561.7835 -1.4107 -1.6324 PRESSURE: 1119600 -27.644 -38.9559 -47.4036 -38.9564 -57.8459 15.7705 -47.4032 15.7722 246.345 GPRESSURE: 1119600 69.5073 -18.1951 -61.1779 -41.4053 9.36246 22.7388 43.6157 -48.801 177.392 PRESSAVG: 1119600 -2.78951 -10.1977 -53.8911 -10.1977 0.223729 -17.684 -53.8911 -17.684 8.67223 GPRESSAVG: 1119600 -1.27196 -12.2115 -53.9004 -9.50872 -0.0719052 -15.6951 -52.5827 -18.1481 7.56809 TIMING: 1119600 CPU: 3526.82, 0.00314691/step Wall: 3526.82, 0.00314691/step, 3.39202 hours remaining, 238.335938 MB of memory in use. ENERGY: 1119600 4009.1977 20652.3342 14500.8069 239.7913 -203653.6588 2849.1531 0.0000 0.0000 52111.0275 -109291.3481 299.4828 -161402.3756 -108932.4963 299.8089 53.6182 85.4206 763406.6243 2.0355 2.0747 PRESSURE: 1119800 325.292 -79.5985 -1.48928 -79.598 165.404 -58.9162 -1.48977 -58.9139 381.049 GPRESSURE: 1119800 394.68 71.2396 -53.2377 -68.9995 127.961 -76.8843 0.625343 -38.9916 440.724 PRESSAVG: 1119800 -10.7547 -31.3697 31.4446 -31.3698 27.1655 -47.1643 31.4446 -47.1642 -7.32449 GPRESSAVG: 1119800 -11.5245 -30.9207 30.6194 -31.8349 27.6846 -47.9646 31.0441 -46.2972 -7.30342 TIMING: 1119800 CPU: 3527.45, 0.00316333/step Wall: 3527.45, 0.00316334/step, 3.40955 hours remaining, 238.335938 MB of memory in use. ENERGY: 1119800 3989.6687 20573.2827 14475.4893 246.6731 -203687.2602 2991.4496 0.0000 0.0000 52084.3236 -109326.3733 299.3293 -161410.6969 -108961.2879 299.4054 290.5814 321.1218 761615.4983 3.0288 2.9522 PRESSURE: 1120000 -53.423 259.072 -166.032 259.071 139.936 16.2412 -166.032 16.2417 90.049 GPRESSURE: 1120000 7.40987 187.943 -102.488 144.594 184.535 -17.7012 -36.6284 95.9625 51.1859 PRESSAVG: 1120000 4.97494 -55.4659 37.3383 -55.4659 -13.3248 -35.304 37.3383 -35.3039 -7.28946 GPRESSAVG: 1120000 4.98028 -55.6935 36.2803 -54.1258 -12.5888 -36.1219 39.117 -35.0479 -7.91042 TIMING: 1120000 CPU: 3528.08, 0.00314883/step Wall: 3528.08, 0.00314883/step, 3.39374 hours remaining, 238.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1120000 4030.5139 20490.0004 14463.3176 240.6238 -203521.4366 2652.9445 0.0000 0.0000 52233.4133 -109410.6230 300.1861 -161644.0363 -109043.4023 299.6623 58.8539 81.0436 761122.6586 -5.2131 -5.1730 PRESSURE: 1120200 -310.114 71.9057 -0.854907 71.9062 83.6885 -7.2574 -0.854971 -7.25668 -288.865 GPRESSURE: 1120200 -302.084 -41.5337 4.46335 35.174 55.2743 -24.39 7.54793 -19.9014 -184.283 PRESSAVG: 1120200 34.1206 -10.3237 7.62862 -10.3238 5.65217 -50.2187 7.62858 -50.2186 1.85232 GPRESSAVG: 1120200 34.632 -12.5823 8.2322 -12.2817 4.09223 -49.43 7.38687 -52.9248 2.81932 TIMING: 1120200 CPU: 3528.71, 0.00314113/step Wall: 3528.71, 0.00314113/step, 3.38527 hours remaining, 238.335938 MB of memory in use. ENERGY: 1120200 3987.7026 20580.7996 14500.6028 246.3292 -203304.6196 2673.5220 0.0000 0.0000 52142.5237 -109173.1396 299.6638 -161315.6633 -108809.8987 299.4431 -171.7634 -143.6975 763219.5971 13.8750 13.8479 LDB: ============= START OF LOAD BALANCING ============== 3541.11 LDB: ============== END OF LOAD BALANCING =============== 3541.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3541.11 LDB: ============= START OF LOAD BALANCING ============== 3541.43 LDB: Largest compute 7026 load 0.035122 is 17.9% of average load 0.196009 LDB: Average compute 0.004367 is 2.2% of average load 0.196009 LDB: TIME 3541.43 LOAD: AVG 0.196009 MAX 0.214027 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.809 MB LDB: TIME 3541.43 LOAD: AVG 0.196009 MAX 0.214027 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.809 MB LDB: TIME 3541.43 LOAD: AVG 0.196009 MAX 0.214027 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.809 MB LDB: ============== END OF LOAD BALANCING =============== 3541.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3541.44 PRESSURE: 1120400 -134.519 192.774 -155.812 192.774 105.836 -63.1978 -155.812 -63.1974 -308.459 GPRESSURE: 1120400 -15.4356 218.334 -138.618 191.494 51.2592 -38.753 -181.767 -7.65847 -283.362 PRESSAVG: 1120400 -5.80822 12.3868 -15.1543 12.3869 -7.26792 -15.1968 -15.1544 -15.1969 -9.0628 GPRESSAVG: 1120400 -6.12822 15.4367 -13.3831 12.1301 -6.27125 -17.1166 -16.798 -13.5866 -9.4796 TIMING: 1120400 CPU: 3529.36, 0.00323294/step Wall: 3529.36, 0.00323294/step, 3.48403 hours remaining, 238.578125 MB of memory in use. ENERGY: 1120400 4013.5202 20568.7895 14562.9392 239.5516 -203584.4468 2683.6332 0.0000 0.0000 52347.0635 -109168.9496 300.8393 -161516.0130 -108799.6328 300.5577 -112.3807 -82.5129 763123.5259 -7.3796 -7.2930 PRESSURE: 1120600 -153.128 -73.7599 92.7199 -73.7602 -163.714 -152.669 92.7201 -152.67 -252.313 GPRESSURE: 1120600 -143.348 -10.614 134.253 -161.884 -161.489 -143.312 -137.49 -139.771 -181.334 PRESSAVG: 1120600 -19.2117 -14.0767 32.1932 -14.0766 0.308651 7.29944 32.1932 7.2994 -0.341542 GPRESSAVG: 1120600 -18.1597 -13.5431 31.9881 -15.2341 -1.08549 8.31404 29.7794 8.0526 0.171583 TIMING: 1120600 CPU: 3529.99, 0.00315637/step Wall: 3529.99, 0.00315637/step, 3.40134 hours remaining, 238.781250 MB of memory in use. ENERGY: 1120600 4029.6811 20742.3157 14481.2721 247.1141 -202914.4713 2336.7511 0.0000 0.0000 52137.0021 -108940.3352 299.6321 -161077.3372 -108578.8428 300.2917 -189.7182 -162.0569 762914.8674 -6.4149 -6.3579 PRESSURE: 1120800 127.483 7.883 -52.83 7.88403 111.233 -213.051 -52.8303 -213.052 -214.169 GPRESSURE: 1120800 153.984 -37.6213 -22.0301 -151.998 132.619 -237.503 -58.0658 -104.728 -174.206 PRESSAVG: 1120800 40.7994 -41.4627 3.62896 -41.4627 -38.1839 -12.9066 3.62885 -12.9066 16.8987 GPRESSAVG: 1120800 40.8869 -43.2598 3.36839 -40.3808 -36.3967 -12.5155 6.36987 -12.8321 15.2624 TIMING: 1120800 CPU: 3530.62, 0.00316623/step Wall: 3530.62, 0.00316623/step, 3.41179 hours remaining, 238.871094 MB of memory in use. ENERGY: 1120800 4012.6440 20602.9830 14486.7943 244.7431 -203423.0602 2645.7558 0.0000 0.0000 52381.6705 -109048.4694 301.0382 -161430.1399 -108674.9673 300.5809 8.1823 37.4658 761447.6580 6.5047 6.5842 PRESSURE: 1121000 -18.3937 0.376217 212.007 0.375893 -147.941 147.86 212.007 147.86 -179.163 GPRESSURE: 1121000 -43.8774 49.3062 230.156 -64.8022 -78.2931 135.058 231.672 157.686 -156.824 PRESSAVG: 1121000 7.6793 -22.4573 2.27543 -22.4574 -22.7195 -59.9764 2.2754 -59.9764 -26.9643 GPRESSAVG: 1121000 6.83378 -20.1345 2.71667 -21.5082 -23.1945 -60.0088 1.42896 -61.4293 -25.2647 TIMING: 1121000 CPU: 3531.25, 0.00315195/step Wall: 3531.25, 0.00315195/step, 3.39623 hours remaining, 238.871094 MB of memory in use. ENERGY: 1121000 3992.0516 20766.3113 14434.8925 236.2474 -203537.7516 2768.0236 0.0000 0.0000 52057.9746 -109282.2506 299.1779 -161340.2252 -108921.9219 300.1825 -115.1660 -92.9981 761150.5833 -14.0015 -13.8751 PRESSURE: 1121200 -365.205 -149.531 162.155 -149.532 -149.514 173.08 162.155 173.08 -156.501 GPRESSURE: 1121200 -335.067 -20.3102 93.3838 -151.258 -182.155 293.98 76.8669 146.613 -63.1915 PRESSAVG: 1121200 5.75931 -33.9228 4.24745 -33.9228 -12.7184 16.9788 4.24746 16.9789 39.4926 GPRESSAVG: 1121200 6.68703 -34.9077 2.63109 -35.7693 -12.3805 17.2855 5.33017 18.8595 38.8169 TIMING: 1121200 CPU: 3531.88, 0.0031553/step Wall: 3531.88, 0.0031553/step, 3.39966 hours remaining, 238.937500 MB of memory in use. ENERGY: 1121200 4024.5594 20557.4124 14408.3340 268.4167 -203135.6514 2292.8819 0.0000 0.0000 52237.2099 -109346.8371 300.2080 -161584.0470 -108986.9188 299.4756 -223.7400 -193.4711 762140.4666 10.8445 11.0412 PRESSURE: 1121400 -224.302 96.5475 248.217 96.5478 406.445 2.69005 248.218 2.68915 169.546 GPRESSURE: 1121400 -96.3579 126.054 250.382 59.3848 314.305 -75.2086 269.377 126.505 221.917 PRESSAVG: 1121400 6.45977 -13.8224 -22.6423 -13.8225 -27.1265 2.02222 -22.6422 2.02217 29.8173 GPRESSAVG: 1121400 6.57563 -14.9251 -20.6155 -11.4168 -26.7118 0.379378 -25.8885 3.13014 29.5666 TIMING: 1121400 CPU: 3532.52, 0.0031767/step Wall: 3532.52, 0.0031767/step, 3.42254 hours remaining, 238.937500 MB of memory in use. ENERGY: 1121400 4039.2804 20672.5933 14409.1684 231.9387 -203326.7647 2571.6439 0.0000 0.0000 52086.1961 -109315.9438 299.3401 -161402.1400 -108955.5799 299.5927 117.2297 146.6214 760632.1396 3.0502 3.1435 PRESSURE: 1121600 -398.937 66.4403 -93.3722 66.4398 -366.015 12.9027 -93.3725 12.9023 -305.869 GPRESSURE: 1121600 -400.998 -8.18686 -34.2479 -35.7697 -309.079 10.517 -123.303 -133.56 -285.866 PRESSAVG: 1121600 4.78323 3.71019 -16.0407 3.71016 -15.4518 1.51114 -16.0407 1.51118 -27.4815 GPRESSAVG: 1121600 4.98002 5.71795 -17.4849 2.35718 -15.744 4.17499 -11.5306 -1.114 -27.0847 TIMING: 1121600 CPU: 3533.15, 0.00316421/step Wall: 3533.15, 0.00316421/step, 3.40891 hours remaining, 238.937500 MB of memory in use. ENERGY: 1121600 4103.9525 20554.3536 14520.7730 256.6811 -203094.8749 2176.7036 0.0000 0.0000 51970.9418 -109511.4692 298.6777 -161482.4110 -109158.1602 299.3777 -356.9404 -331.9809 760594.8998 -12.7167 -12.6162 PRESSURE: 1121800 -122.758 -132.534 -36.5849 -132.534 -214.822 -16.6355 -36.585 -16.6353 -234.206 GPRESSURE: 1121800 -59.8658 -159.877 -82.7577 -150.444 -237.512 -0.239819 -42.8833 89.5663 -214.463 PRESSAVG: 1121800 14.9019 10.0812 24.9498 10.0812 37.6698 -19.6122 24.9498 -19.6122 -18.2842 GPRESSAVG: 1121800 13.9698 10.8207 24.6128 9.57525 38.0695 -22.5725 25.2245 -18.4351 -17.6982 TIMING: 1121800 CPU: 3533.78, 0.00314153/step Wall: 3533.78, 0.00314153/step, 3.3843 hours remaining, 238.937500 MB of memory in use. ENERGY: 1121800 4095.4066 20399.4701 14529.1137 266.6541 -203121.4059 2231.0619 0.0000 0.0000 52285.6382 -109314.0614 300.4863 -161599.6996 -108945.7322 299.7047 -190.5954 -170.6133 760182.8277 11.4292 11.4470 PRESSURE: 1122000 -136.215 191.441 213.327 191.44 68.5874 186.656 213.328 186.656 337.962 GPRESSURE: 1122000 -131.244 -10.291 274.827 84.1185 165.65 284.405 272.017 58.8239 298.103 PRESSAVG: 1122000 -32.5831 -18.8035 44.2463 -18.8035 9.05082 22.3443 44.2462 22.3443 21.0804 GPRESSAVG: 1122000 -30.655 -20.629 43.9637 -18.6572 7.60174 24.8803 42.4664 19.4924 20.4494 TIMING: 1122000 CPU: 3534.41, 0.00314986/step Wall: 3534.41, 0.00314986/step, 3.3931 hours remaining, 238.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1122000 4014.0212 20612.2401 14553.2338 249.3728 -203404.2863 2538.5546 0.0000 0.0000 52180.3011 -109256.5627 299.8809 -161436.8638 -108899.0049 299.7078 90.1113 110.8364 760665.7689 -0.8173 -0.8679 PRESSURE: 1122200 91.4723 -152.633 22.8386 -152.633 -120.945 65.1917 22.8385 65.1912 -99.5539 GPRESSURE: 1122200 -8.1769 -97.7092 -2.00185 -179.634 -6.3747 -20.9605 120.318 118.797 -34.7708 PRESSAVG: 1122200 30.4425 -12.5223 22.4257 -12.5223 -63.397 32.195 22.4257 32.195 -8.08418 GPRESSAVG: 1122200 27.9569 -11.7952 23.0188 -12.8961 -62.6292 31.3037 22.7504 34.774 -6.66475 TIMING: 1122200 CPU: 3535.04, 0.00313664/step Wall: 3535.04, 0.00313664/step, 3.37869 hours remaining, 238.937500 MB of memory in use. ENERGY: 1122200 4015.7422 20812.5561 14452.4459 257.1918 -203101.3731 2264.8633 0.0000 0.0000 51896.8690 -109401.7048 298.2520 -161298.5738 -109046.0124 299.6802 -43.0089 -16.4408 760436.2529 -13.6795 -13.7790 PRESSURE: 1122400 28.0481 -49.1121 -219.743 -49.1118 -254.159 -15.2081 -219.743 -15.209 251.587 GPRESSURE: 1122400 146.922 43.2876 -306.233 -112.259 -360.015 -41.2651 -295.224 58.5548 327.708 PRESSAVG: 1122400 43.9752 -29.6729 23.1997 -29.673 1.51896 23.0464 23.1998 23.0465 12.8518 GPRESSAVG: 1122400 45.7225 -31.7269 23.4668 -28.3004 0.47005 22.8198 22.5124 22.1832 12.0432 TIMING: 1122400 CPU: 3535.66, 0.00314541/step Wall: 3535.66, 0.00314541/step, 3.38796 hours remaining, 238.937500 MB of memory in use. ENERGY: 1122400 3979.9026 20507.2260 14483.2460 238.8625 -203587.6866 2642.6244 0.0000 0.0000 52185.1001 -109550.7250 299.9085 -161735.8251 -109179.5673 299.6829 8.4920 38.2051 759466.7047 19.4486 19.4119 PRESSURE: 1122600 437.588 14.6437 127.736 14.6422 260.594 -284.6 127.735 -284.6 133.864 GPRESSURE: 1122600 504.789 -63.0966 116.114 27.1783 228.667 -287.135 221.86 -224.213 187.453 PRESSAVG: 1122600 -8.19443 -16.0544 -12.7597 -16.0544 -62.0862 -5.67314 -12.7598 -5.67309 1.43865 GPRESSAVG: 1122600 -8.52615 -13.1612 -14.6719 -17.8291 -61.2475 -4.18494 -13.5813 -4.96439 0.284777 TIMING: 1122600 CPU: 3536.29, 0.00313329/step Wall: 3536.29, 0.00313329/step, 3.37472 hours remaining, 238.937500 MB of memory in use. ENERGY: 1122600 3966.8649 20696.5853 14461.4394 244.1673 -203621.0304 2491.5679 0.0000 0.0000 52233.5484 -109526.8573 300.1869 -161760.4057 -109155.0882 299.4436 277.3485 306.9696 758666.7853 -22.9473 -23.1629 PRESSURE: 1122800 -20.7094 39.733 91.2568 39.7331 101.364 -23.8471 91.2562 -23.8463 148.916 GPRESSURE: 1122800 13.5331 45.9344 118.278 2.53764 175.243 -102.495 207.369 -78.2571 90.1593 PRESSAVG: 1122800 16.5646 22.1146 35.7599 22.1146 -46.9498 25.9008 35.7599 25.9008 5.35588 GPRESSAVG: 1122800 15.0636 20.2142 35.7187 23.1168 -47.2192 26.6781 37.082 26.2339 7.0122 TIMING: 1122800 CPU: 3536.92, 0.00312304/step Wall: 3536.92, 0.00312304/step, 3.36351 hours remaining, 238.937500 MB of memory in use. ENERGY: 1122800 3985.4787 20622.2331 14499.6617 254.3814 -203929.2954 2919.2155 0.0000 0.0000 51926.7558 -109721.5692 298.4238 -161648.3250 -109358.6504 299.2871 76.5235 92.9783 759426.3766 -8.3431 -8.3811 PRESSURE: 1123000 -114.793 36.543 -88.8316 36.5423 -73.9491 -95.4349 -88.8313 -95.4359 -77.2581 GPRESSURE: 1123000 -79.4466 49.1274 -116.033 58.5686 13.7125 -102.913 91.5746 -154.565 -80.2198 PRESSAVG: 1123000 10.3075 7.36073 33.9636 7.36073 27.8145 -21.7915 33.9636 -21.7915 18.0998 GPRESSAVG: 1123000 12.2267 8.47252 33.932 9.15302 27.6083 -25.4715 32.2305 -20.399 17.045 TIMING: 1123000 CPU: 3537.54, 0.00312653/step Wall: 3537.54, 0.00312653/step, 3.3671 hours remaining, 238.937500 MB of memory in use. ENERGY: 1123000 4017.5784 20449.9624 14591.8856 238.9598 -203738.4646 2569.5860 0.0000 0.0000 52133.6137 -109736.8788 299.6126 -161870.4925 -109375.7625 299.4604 -88.6668 -48.6513 759626.7094 18.7406 18.9600 PRESSURE: 1123200 -192.169 -149.946 -101.631 -149.946 271.775 -149.715 -101.632 -149.716 164.541 GPRESSURE: 1123200 -149.734 -273.967 -113.643 -48.1665 297.74 -122.538 -41.664 -180.572 185.258 PRESSAVG: 1123200 8.07998 -92.5649 -15.2296 -92.5649 25.9802 -29.1386 -15.2297 -29.1386 -11.2832 GPRESSAVG: 1123200 7.43145 -91.7774 -14.4911 -93.1295 26.8073 -25.8203 -13.1856 -30.4241 -10.999 TIMING: 1123200 CPU: 3538.17, 0.00315811/step Wall: 3538.17, 0.00315811/step, 3.40094 hours remaining, 238.937500 MB of memory in use. ENERGY: 1123200 4031.8706 20740.1405 14442.5524 246.2418 -203732.1784 2589.0941 0.0000 0.0000 52063.3366 -109618.9424 299.2087 -161682.2790 -109262.1696 299.2844 81.3824 111.0878 760616.2290 7.5923 7.7466 PRESSURE: 1123400 375.22 -241.065 21.1236 -241.065 161.756 197 21.1239 197.001 449.848 GPRESSURE: 1123400 349.749 -168.905 120.099 -165.692 296.086 189.025 -6.45927 70.6955 438.576 PRESSAVG: 1123400 -44.1372 -92.1708 -28.3076 -92.1708 5.21872 17.5537 -28.3076 17.5538 0.034427 GPRESSAVG: 1123400 -43.0665 -91.6609 -27.5262 -91.9449 4.74272 16.432 -31.2062 17.5177 -0.859061 TIMING: 1123400 CPU: 3538.8, 0.00314955/step Wall: 3538.8, 0.00314955/step, 3.39154 hours remaining, 238.937500 MB of memory in use. ENERGY: 1123400 4005.0274 20599.0345 14517.9004 242.0289 -203977.4601 2842.6976 0.0000 0.0000 52063.0397 -109707.7315 299.2070 -161770.7712 -109350.7601 299.4763 328.9413 361.4703 759000.8590 -12.9613 -13.0609 PRESSURE: 1123600 50.8054 -47.5219 -26.369 -47.5214 25.5447 302.836 -26.3698 302.837 -273.11 GPRESSURE: 1123600 114.782 4.60022 21.3497 -72.4181 1.54148 195.644 -97.1042 333.012 -251.51 PRESSAVG: 1123600 -1.31922 -22.085 -15.6518 -22.0851 16.6548 36.4802 -15.6519 36.4802 1.20717 GPRESSAVG: 1123600 -2.61725 -21.9316 -16.4627 -22.0134 17.1793 36.1963 -13.0873 34.3254 1.58886 TIMING: 1123600 CPU: 3539.43, 0.00315606/step Wall: 3539.43, 0.00315606/step, 3.39837 hours remaining, 238.937500 MB of memory in use. ENERGY: 1123600 3940.2990 20499.9274 14440.2650 242.3832 -203675.8140 2642.4914 0.0000 0.0000 52157.9662 -109752.4819 299.7525 -161910.4480 -109387.4009 299.5890 -65.5867 -45.0622 758643.1166 5.5143 5.3836 PRESSURE: 1123800 -31.9216 -120.747 30.458 -120.747 102.05 -91.968 30.4581 -91.967 -180.831 GPRESSURE: 1123800 19.99 -82.8819 -27.0666 -84.6943 111.128 -75.5417 -161.435 -79.0614 -174.768 PRESSAVG: 1123800 56.5394 -13.8567 13.3467 -13.8566 -17.4007 -52.2461 13.3467 -52.246 -30.3598 GPRESSAVG: 1123800 56.5681 -14.9137 12.5219 -14.8791 -18.1145 -51.4437 12.9051 -50.7094 -29.4124 TIMING: 1123800 CPU: 3540.06, 0.00315211/step Wall: 3540.06, 0.00315211/step, 3.39394 hours remaining, 238.937500 MB of memory in use. ENERGY: 1123800 4002.4985 20639.5981 14433.5220 240.1800 -204204.4012 2995.3102 0.0000 0.0000 52095.9708 -109797.3217 299.3963 -161893.2924 -109432.5246 299.3071 -36.9009 -14.5500 761149.6473 2.9263 3.0137 PRESSURE: 1124000 -23.4486 -75.8832 -74.1427 -75.8833 -166.348 20.498 -74.1435 20.4977 -163.252 GPRESSURE: 1124000 40.3906 -199.473 -39.1672 42.5103 -185.693 -17.9413 -37.5567 -25.8458 -130.339 PRESSAVG: 1124000 -32.0259 -20.2163 3.20329 -20.2164 8.77297 17.2997 3.20331 17.2997 18.7302 GPRESSAVG: 1124000 -31.0552 -19.4843 5.67106 -19.9479 8.74553 16.481 -0.0181899 16.9455 18.1776 TIMING: 1124000 CPU: 3540.69, 0.00313955/step Wall: 3540.69, 0.00313954/step, 3.38024 hours remaining, 238.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1124000 3918.1816 20554.2805 14450.9771 246.6304 -203462.1796 2307.6246 0.0000 0.0000 52121.2699 -109863.2156 299.5417 -161984.4854 -109501.1033 298.8449 -117.6829 -91.8806 761080.8079 -1.5076 -1.3774 PRESSURE: 1124200 203.931 81.9705 38.8656 81.9714 -6.97814 205.068 38.8658 205.069 80.8862 GPRESSURE: 1124200 204.412 1.50003 84.4604 167.725 10.2175 183.357 89.6206 216.057 136.405 PRESSAVG: 1124200 22.1885 -30.6449 28.7061 -30.6449 -17.7444 18.1571 28.7061 18.1571 14.5921 GPRESSAVG: 1124200 22.037 -32.4547 27.2151 -28.8567 -18.1074 19.1238 31.1843 17.7971 15.0283 TIMING: 1124200 CPU: 3541.32, 0.003139/step Wall: 3541.32, 0.003139/step, 3.37948 hours remaining, 238.937500 MB of memory in use. ENERGY: 1124200 3966.1059 20695.5431 14537.3286 253.6837 -203755.3009 2675.6710 0.0000 0.0000 52116.2785 -109510.6902 299.5130 -161626.9687 -109153.5487 299.6331 92.6132 117.0116 759668.6512 6.3454 6.3193 LDB: ============= START OF LOAD BALANCING ============== 3553.72 LDB: ============== END OF LOAD BALANCING =============== 3553.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3553.72 LDB: ============= START OF LOAD BALANCING ============== 3554.03 LDB: Largest compute 7077 load 0.035345 is 18.0% of average load 0.195956 LDB: Average compute 0.004366 is 2.2% of average load 0.195956 LDB: TIME 3554.04 LOAD: AVG 0.195956 MAX 0.21226 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.773 MB LDB: TIME 3554.04 LOAD: AVG 0.195956 MAX 0.21226 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.773 MB LDB: TIME 3554.04 LOAD: AVG 0.195956 MAX 0.21226 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.773 MB LDB: ============== END OF LOAD BALANCING =============== 3554.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3554.04 PRESSURE: 1124400 -263.687 -156.871 227.563 -156.871 -260.049 -297.886 227.563 -297.886 264.204 GPRESSURE: 1124400 -232.203 -91.8885 228.579 -195.197 -133.855 -320.742 109.289 -220.329 180.353 PRESSAVG: 1124400 -5.76318 -52.7865 -17.5268 -52.7865 -56.1057 -22.1699 -17.5268 -22.1699 -10.712 GPRESSAVG: 1124400 -5.58237 -51.8075 -18.6614 -54.1053 -55.8366 -21.6583 -17.5282 -21.6635 -11.5908 TIMING: 1124400 CPU: 3541.96, 0.0032044/step Wall: 3541.96, 0.0032044/step, 3.44972 hours remaining, 239.824219 MB of memory in use. ENERGY: 1124400 3981.8294 20555.5827 14427.3245 265.1764 -203373.3989 2469.8210 0.0000 0.0000 52357.9143 -109315.7506 300.9017 -161673.6649 -108938.4617 300.1581 -86.5108 -61.9014 760564.4182 -24.1936 -24.3366 PRESSURE: 1124600 -292.936 114.82 44.3491 114.82 -52.5609 57.3108 44.3497 57.311 -460.299 GPRESSURE: 1124600 -236.144 64.4321 108.721 115.837 -117.555 59.9816 27.0056 86.1137 -369.19 PRESSAVG: 1124600 25.4709 -73.6569 -7.12317 -73.657 38.5003 -10.1132 -7.12319 -10.1132 -14.9769 GPRESSAVG: 1124600 26.1582 -73.077 -5.54995 -74.3437 37.8433 -10.4738 -7.9388 -7.73521 -14.4177 TIMING: 1124600 CPU: 3542.59, 0.00315256/step Wall: 3542.59, 0.00315256/step, 3.39373 hours remaining, 240.027344 MB of memory in use. ENERGY: 1124600 3959.3621 20678.2369 14500.2446 265.9313 -203287.0408 2371.2093 0.0000 0.0000 52390.1640 -109121.8924 301.0870 -161512.0565 -108752.3952 300.7947 -268.5986 -240.9631 761034.4322 16.3314 16.5279 PRESSURE: 1124800 -52.9982 -45.5557 1.5551 -45.5554 152.715 152.267 1.55458 152.265 -104.503 GPRESSURE: 1124800 -36.8059 63.8208 -93.1164 90.7809 155.816 113.81 10.1428 80.4201 -27.2672 PRESSAVG: 1124800 42.0197 -22.2441 2.91377 -22.2441 -37.3084 21.554 2.91381 21.5541 1.07819 GPRESSAVG: 1124800 42.1315 -23.4181 1.25714 -20.4704 -37.539 20.2901 3.63153 17.8758 1.30459 TIMING: 1124800 CPU: 3543.22, 0.00314391/step Wall: 3543.22, 0.00314391/step, 3.38424 hours remaining, 240.027344 MB of memory in use. ENERGY: 1124800 3977.4371 20570.5693 14502.9359 268.5578 -203532.9757 2769.2631 0.0000 0.0000 52287.2402 -109156.9723 300.4955 -161444.2125 -108788.6146 300.4843 -1.5953 30.5808 761134.4277 1.9298 1.9657 PRESSURE: 1125000 -182.378 43.7331 59.4222 43.733 -64.8533 -249.572 59.4224 -249.573 -194.992 GPRESSURE: 1125000 -152.468 102.62 37.3753 -11.2284 -58.4941 -140.218 98.2201 -168.311 -149.561 PRESSAVG: 1125000 -43.812 2.46832 15.8339 2.46833 -17.3432 2.46085 15.8339 2.46078 10.8616 GPRESSAVG: 1125000 -44.6342 4.53513 16.4829 -0.220687 -16.4805 5.16299 16.4484 3.7721 11.0005 TIMING: 1125000 CPU: 3543.85, 0.00314863/step Wall: 3543.85, 0.00314863/step, 3.38915 hours remaining, 240.027344 MB of memory in use. ENERGY: 1125000 4030.8095 20722.0237 14438.3077 243.0492 -203410.1077 2539.8962 0.0000 0.0000 52260.6576 -109175.3637 300.3427 -161436.0214 -108811.1557 300.3799 -147.4078 -120.1744 761764.2457 -16.7646 -16.7047 PRESSURE: 1125200 -35.7954 -221.822 -267.495 -221.821 -373.323 175.954 -267.495 175.954 -279.805 GPRESSURE: 1125200 -40.9576 -189.43 -349.641 -216.482 -366.607 152.94 -173.197 170.302 -210.927 PRESSAVG: 1125200 -50.3447 -16.9128 -17.7371 -16.9129 -5.91965 0.320312 -17.7371 0.320302 38.9983 GPRESSAVG: 1125200 -49.5641 -17.3148 -19.0315 -16.4174 -6.43786 -0.837453 -17.8267 1.83886 38.6883 TIMING: 1125200 CPU: 3544.48, 0.00314201/step Wall: 3544.48, 0.00314201/step, 3.38185 hours remaining, 240.027344 MB of memory in use. ENERGY: 1125200 4046.9340 20634.8364 14517.1615 257.7030 -203732.7915 2736.9069 0.0000 0.0000 52109.5864 -109429.6633 299.4745 -161539.2497 -109061.4383 300.1005 -229.6412 -206.1640 762727.9007 -5.7554 -5.7712 PRESSURE: 1125400 -260.697 -67.3415 62.3835 -67.3407 -185.313 129.117 62.3838 129.117 -282.897 GPRESSURE: 1125400 -125.547 -46.7376 82.0808 -38.3346 -226.773 38.2266 -31.8711 144.185 -298.09 PRESSAVG: 1125400 -42.3722 -26.3334 -8.83502 -26.3334 42.2239 -1.5065 -8.83505 -1.50651 0.012164 GPRESSAVG: 1125400 -43.1108 -28.0544 -6.91079 -26.299 42.4363 -1.50285 -9.16506 -3.64107 0.252008 TIMING: 1125400 CPU: 3545.11, 0.00313566/step Wall: 3545.11, 0.00313566/step, 3.37484 hours remaining, 240.027344 MB of memory in use. ENERGY: 1125400 3994.0856 20491.9106 14540.9498 242.8759 -203150.7886 2384.9149 0.0000 0.0000 51907.6717 -109588.3802 298.3141 -161496.0519 -109226.1829 299.2436 -242.9689 -216.8031 762033.8522 -0.0454 -0.1408 PRESSURE: 1125600 62.5359 -119.989 139.276 -119.989 -84.9262 -35.2233 139.276 -35.2241 71.3676 GPRESSURE: 1125600 49.5335 9.22976 165.078 -95.1463 -27.5292 -84.6925 125.163 97.2783 139.519 PRESSAVG: 1125600 -25.3166 -38.7932 -38.3702 -38.7933 45.1398 22.0804 -38.3702 22.0803 16.7345 GPRESSAVG: 1125600 -23.8356 -37.7407 -39.5195 -38.2941 44.7194 23.3248 -39.5216 21.6719 16.5698 TIMING: 1125600 CPU: 3545.73, 0.00313277/step Wall: 3545.73, 0.00313277/step, 3.37155 hours remaining, 240.027344 MB of memory in use. ENERGY: 1125600 4001.3145 20662.5561 14532.5443 245.3535 -203687.1147 2692.7272 0.0000 0.0000 52000.7113 -109551.9078 298.8488 -161552.6191 -109196.8425 299.5481 16.3258 53.8411 761448.3854 12.1859 12.4846 PRESSURE: 1125800 -67.7759 30.4301 -221.525 30.4308 252.86 133.671 -221.525 133.671 133.724 GPRESSURE: 1125800 4.42828 -39.2694 -226.356 61.2477 275.691 -3.36167 -142.55 102.48 117.586 PRESSAVG: 1125800 -23.3498 -14.9712 -62.685 -14.9713 28.1545 -41.7526 -62.6851 -41.7526 -10.7808 GPRESSAVG: 1125800 -24.9274 -16.0387 -61.9048 -13.5429 29.8592 -42.7003 -60.8232 -41.3228 -10.6272 TIMING: 1125800 CPU: 3546.36, 0.00313707/step Wall: 3546.36, 0.00313707/step, 3.37601 hours remaining, 240.027344 MB of memory in use. ENERGY: 1125800 4007.5933 20447.7937 14525.7995 247.9850 -203746.7497 2873.1530 0.0000 0.0000 52137.6904 -109506.7347 299.6360 -161644.4251 -109142.7173 299.2845 106.2695 132.5684 762105.8081 -1.9920 -1.8985 PRESSURE: 1126000 -84.1814 56.6291 -123.266 56.629 -382.315 -42.409 -123.267 -42.4092 -65.9444 GPRESSURE: 1126000 -25.4924 95.306 -60.3985 69.2145 -296.846 57.0537 -37.6983 -33.5251 -136.947 PRESSAVG: 1126000 -60.8914 -37.0744 -47.836 -37.0744 22.9901 -47.3225 -47.8359 -47.3226 3.28359 GPRESSAVG: 1126000 -60.8064 -36.4647 -47.7471 -36.6091 23.5082 -47.0683 -48.7805 -46.8839 2.73617 TIMING: 1126000 CPU: 3546.99, 0.00312987/step Wall: 3546.99, 0.00312987/step, 3.36809 hours remaining, 240.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1126000 3943.8638 20598.9564 14456.5632 254.6079 -203304.3311 2507.3739 0.0000 0.0000 52027.6706 -109515.2952 299.0037 -161542.9658 -109155.0230 299.3976 -177.4804 -153.0954 760720.3728 -11.5392 -11.5207 PRESSURE: 1126200 122.906 -15.0303 -31.3897 -15.0307 391.359 157.295 -31.3903 157.295 139.467 GPRESSURE: 1126200 39.2714 -57.0205 22.6678 13.4065 475.689 8.49237 -11.2777 108.718 209.685 PRESSAVG: 1126200 -55.4512 -29.0032 -56.7041 -29.0032 28.1682 20.5301 -56.7041 20.5301 -18.813 GPRESSAVG: 1126200 -55.0955 -28.7298 -57.0418 -30.8589 26.8589 19.2685 -57.6152 19.8734 -17.3088 TIMING: 1126200 CPU: 3547.61, 0.00313181/step Wall: 3547.61, 0.00313181/step, 3.37 hours remaining, 240.027344 MB of memory in use. ENERGY: 1126200 3866.0879 20529.1464 14429.3190 257.0456 -203254.8440 2693.8307 0.0000 0.0000 51794.4031 -109685.0113 297.6631 -161479.4143 -109318.8363 299.0324 217.9110 241.5482 762881.3239 -15.3653 -15.1818 PRESSURE: 1126400 -539.173 98.1651 -34.2135 98.165 -124.704 -9.15588 -34.2131 -9.15568 -52.554 GPRESSURE: 1126400 -482.584 145.933 -66.2792 139.02 -141.445 -81.314 -38.4804 30.853 -9.99261 PRESSAVG: 1126400 -45.9523 -21.8247 -36.588 -21.8248 57.3237 -64.2219 -36.5879 -64.2219 13.0702 GPRESSAVG: 1126400 -46.8906 -20.3375 -37.8122 -23.3981 58.7517 -63.9079 -35.0725 -61.6591 12.5434 TIMING: 1126400 CPU: 3548.24, 0.00312769/step Wall: 3548.24, 0.00312769/step, 3.36539 hours remaining, 240.027344 MB of memory in use. ENERGY: 1126400 3955.5709 20589.0659 14394.7243 238.4637 -203167.7892 2318.9629 0.0000 0.0000 51949.4578 -109721.5436 298.5542 -161671.0014 -109364.9526 299.0232 -238.8103 -211.3405 763333.5992 8.1472 8.1348 PRESSURE: 1126600 -255.382 -27.7306 -9.89306 -27.7316 -37.343 -252.963 -9.89289 -252.963 250.276 GPRESSURE: 1126600 -83.2486 -40.6793 -24.4895 -49.8568 -48.7122 -113.776 18.1963 -367.043 162.071 PRESSAVG: 1126600 -17.9278 -32.6243 -33.6292 -32.6243 52.4388 -26.787 -33.6292 -26.787 -8.53853 GPRESSAVG: 1126600 -15.7856 -33.9234 -32.768 -33.157 50.8111 -26.8941 -34.3901 -27.5219 -9.30316 TIMING: 1126600 CPU: 3548.87, 0.00315731/step Wall: 3548.87, 0.00315731/step, 3.39709 hours remaining, 240.027344 MB of memory in use. ENERGY: 1126600 3929.8765 20583.5708 14467.3385 258.7457 -203828.9647 3081.2325 0.0000 0.0000 52143.0308 -109365.1699 299.6667 -161508.2008 -109002.7879 299.7954 -14.1498 10.0367 763426.3110 8.6575 8.5741 PRESSURE: 1126800 -99.1411 230.016 33.7625 230.015 307.806 79.0442 33.762 79.044 264.778 GPRESSURE: 1126800 -71.2775 231.752 55.0697 231.108 319.703 96.2027 90.7635 4.88514 293.583 PRESSAVG: 1126800 32.5884 39.7826 -56.9279 39.7826 -5.24408 12.4515 -56.9279 12.4516 18.2663 GPRESSAVG: 1126800 32.8235 37.1106 -58.0469 41.7834 -5.30532 12.4943 -53.8526 10.4133 17.8915 TIMING: 1126800 CPU: 3549.5, 0.00316441/step Wall: 3549.5, 0.00316441/step, 3.40455 hours remaining, 240.027344 MB of memory in use. ENERGY: 1126800 3893.9106 20578.2052 14453.1059 239.2750 -203719.4203 2718.2907 0.0000 0.0000 52064.0397 -109772.5931 299.2128 -161836.6328 -109407.5995 299.3634 157.8146 180.6695 761169.6268 15.2035 15.1366 PRESSURE: 1127000 -278.504 -147.855 -184.164 -147.854 12.1039 -86.0992 -184.165 -86.0983 -502.521 GPRESSURE: 1127000 -249.888 -93.0117 -181.557 -123.391 68.7721 -65.5359 -121.365 27.9043 -497.305 PRESSAVG: 1127000 -45.3576 -25.2912 -34.5495 -25.2913 52.8982 -10.2843 -34.5495 -10.2844 0.428232 GPRESSAVG: 1127000 -46.8807 -22.1268 -32.4176 -24.7408 52.1689 -8.87845 -37.6815 -9.04345 2.54658 TIMING: 1127000 CPU: 3550.13, 0.00314848/step Wall: 3550.13, 0.00314848/step, 3.38724 hours remaining, 240.027344 MB of memory in use. ENERGY: 1127000 3938.7528 20499.3889 14486.9128 261.6133 -203269.1534 2474.7420 0.0000 0.0000 51819.1503 -109788.5933 297.8054 -161607.7436 -109427.0388 298.7430 -256.3069 -226.1405 759769.1702 2.6563 2.6116 PRESSURE: 1127200 199.331 7.6183 55.4145 7.61809 -159.101 -42.7859 55.4147 -42.786 -39.9358 GPRESSURE: 1127200 165.26 105.835 95.2496 11.3225 -84.3701 26.1491 -45.4422 -84.4996 22.1802 PRESSAVG: 1127200 -9.18458 -15.8799 -35.9971 -15.88 -46.1125 -5.8003 -35.9971 -5.80027 -0.986011 GPRESSAVG: 1127200 -10.1203 -15.7275 -35.95 -15.5826 -44.2373 -6.35411 -37.2898 -5.04751 -1.60612 TIMING: 1127200 CPU: 3550.76, 0.00315376/step Wall: 3550.76, 0.00315376/step, 3.39275 hours remaining, 240.027344 MB of memory in use. ENERGY: 1127200 3921.7623 20463.2955 14457.3712 243.1928 -203545.4465 2705.4270 0.0000 0.0000 52309.0253 -109445.3724 300.6207 -161754.3977 -109078.8833 299.1839 0.0979 34.3568 761543.3568 -18.7610 -18.6546 PRESSURE: 1127400 15.0299 -178.144 94.2295 -178.143 -303.731 -199.619 94.2298 -199.619 317.002 GPRESSURE: 1127400 18.6611 -208.554 93.945 -130.288 -220.684 -193.711 24.1191 -100.814 295.758 PRESSAVG: 1127400 -49.6415 -39.1097 17.4672 -39.1097 -15.7011 -4.98094 17.4672 -4.98085 28.8043 GPRESSAVG: 1127400 -49.9801 -39.6434 17.6036 -39.1955 -16.3208 -5.13112 19.6841 -5.23331 29.2459 TIMING: 1127400 CPU: 3551.39, 0.00314563/step Wall: 3551.39, 0.00314563/step, 3.38383 hours remaining, 240.027344 MB of memory in use. ENERGY: 1127400 3913.5401 20606.6081 14516.2069 266.1460 -203279.7846 2627.2569 0.0000 0.0000 52102.2355 -109247.7912 299.4323 -161350.0267 -108891.1749 299.4647 9.4337 31.2451 763245.2559 -12.1794 -12.3517 PRESSURE: 1127600 -19.1308 -155.512 141.316 -155.512 -371.993 -121.411 141.317 -121.411 197.097 GPRESSURE: 1127600 91.7902 -127.863 47.9401 -163.366 -365.452 -29.7313 169.662 -135.707 167.173 PRESSAVG: 1127600 9.22532 -41.5613 52.2467 -41.5613 -6.65847 -40.9024 52.2467 -40.9024 -14.1596 GPRESSAVG: 1127600 9.32844 -42.5066 52.1206 -42.8294 -5.95035 -40.5142 51.1724 -41.8756 -15.4394 TIMING: 1127600 CPU: 3552.02, 0.00314643/step Wall: 3552.02, 0.00314643/step, 3.38451 hours remaining, 240.027344 MB of memory in use. ENERGY: 1127600 3967.8368 20641.9593 14436.6954 255.9522 -203542.7473 2661.9283 0.0000 0.0000 52332.9239 -109245.4513 300.7580 -161578.3752 -108876.3947 299.9628 -64.6754 -35.4961 760702.9221 -3.8643 -4.0205 PRESSURE: 1127800 -293.507 -136.991 293.476 -136.992 219.152 -90.8459 293.477 -90.8457 597.635 GPRESSURE: 1127800 -291.585 -198.684 229.204 -70.3877 333.683 -51.1837 158.19 -79.3529 565.789 PRESSAVG: 1127800 -11.5007 -27.1912 -1.86529 -27.1911 -4.17605 9.05149 -1.8653 9.05148 -16.5977 GPRESSAVG: 1127800 -10.7919 -26.3347 -1.99731 -27.6937 -5.5632 8.52021 -1.84192 8.99123 -15.793 TIMING: 1127800 CPU: 3552.65, 0.00313661/step Wall: 3552.65, 0.00313661/step, 3.37377 hours remaining, 240.027344 MB of memory in use. ENERGY: 1127800 3953.6141 20604.8785 14483.9930 238.5552 -203428.0902 2734.6771 0.0000 0.0000 52090.5667 -109321.8054 299.3652 -161412.3722 -108958.4297 300.1027 174.4269 202.6289 762584.9851 -10.7581 -10.7160 PRESSURE: 1128000 -391.402 -161.499 -172.671 -161.499 290.778 -13.3474 -172.671 -13.3477 -191.925 GPRESSURE: 1128000 -304.569 -193.252 -78.906 -48.8868 214.933 27.6443 -58.4982 -68.394 -126.342 PRESSAVG: 1128000 14.3372 -2.18856 -6.12381 -2.18854 50.3758 -5.22972 -6.12378 -5.22972 -2.57404 GPRESSAVG: 1128000 15.0106 -3.41553 -5.36958 -1.36796 49.5717 -4.61551 -6.39532 -4.78978 -2.40492 TIMING: 1128000 CPU: 3553.28, 0.00317249/step Wall: 3553.28, 0.00317249/step, 3.41219 hours remaining, 240.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1128000 4004.7368 20545.3545 14405.3569 249.0148 -202618.6386 2134.9814 0.0000 0.0000 51872.6219 -109406.5722 298.1127 -161279.1941 -109047.5577 299.3524 -97.5167 -71.9926 762857.0429 20.7130 20.7258 PRESSURE: 1128200 242.567 219.025 47.3167 219.024 70.3788 -52.9515 47.3166 -52.9516 -420.028 GPRESSURE: 1128200 260.583 294.735 47.7308 262.697 10.1995 -23.4962 93.636 -42.7518 -283.299 PRESSAVG: 1128200 4.40582 -2.14862 -44.9865 -2.14861 21.4746 -57.9004 -44.9865 -57.9003 8.58221 GPRESSAVG: 1128200 3.2514 -0.818115 -44.1003 -1.17562 22.1537 -56.8325 -44.3341 -58.3635 8.41883 TIMING: 1128200 CPU: 3553.91, 0.00316031/step Wall: 3553.91, 0.00316031/step, 3.39891 hours remaining, 240.027344 MB of memory in use. ENERGY: 1128200 3957.7604 20514.3857 14431.4263 248.3923 -203071.1761 2452.3645 0.0000 0.0000 51873.9400 -109592.9069 298.1202 -161466.8469 -109240.3471 299.1661 -35.6940 -4.1720 762466.6692 11.4875 11.2746 LDB: ============= START OF LOAD BALANCING ============== 3566.31 LDB: ============== END OF LOAD BALANCING =============== 3566.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3566.32 LDB: ============= START OF LOAD BALANCING ============== 3566.63 LDB: Largest compute 7077 load 0.033295 is 17.0% of average load 0.195900 LDB: Average compute 0.004361 is 2.2% of average load 0.195900 LDB: TIME 3566.64 LOAD: AVG 0.1959 MAX 0.216273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.602 MB LDB: TIME 3566.64 LOAD: AVG 0.1959 MAX 0.216273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.809 MB LDB: TIME 3566.64 LOAD: AVG 0.1959 MAX 0.216273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.809 MB LDB: ============== END OF LOAD BALANCING =============== 3566.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3566.64 PRESSURE: 1128400 20.5183 -95.9552 44.2282 -95.9554 -289.589 -19.9003 44.2291 -19.9008 -300.965 GPRESSURE: 1128400 44.544 -139.716 74.0655 -148.623 -187.339 -39.17 -77.8818 47.0506 -330.051 PRESSAVG: 1128400 -26.9088 -20.461 13.5392 -20.461 -0.848283 -36.5468 13.5393 -36.5469 -12.9303 GPRESSAVG: 1128400 -26.5494 -19.516 12.7541 -21.7815 -0.739966 -38.1317 11.6858 -35.7887 -13.2407 TIMING: 1128400 CPU: 3554.56, 0.00323058/step Wall: 3554.56, 0.00323058/step, 3.47431 hours remaining, 238.117188 MB of memory in use. ENERGY: 1128400 3972.4579 20552.3825 14372.4955 236.4914 -203607.2933 2606.2353 0.0000 0.0000 51917.4213 -109949.8094 298.3701 -161867.2306 -109587.5853 299.2336 -190.0119 -157.6153 760827.3092 -13.5625 -13.5100 PRESSURE: 1128600 -63.384 110.659 -175.861 110.66 49.46 -111.247 -175.862 -111.246 236.911 GPRESSURE: 1128600 -32.8695 64.6777 -161.113 74.1572 104.333 -46.8757 -213.152 -73.4484 232.239 PRESSAVG: 1128600 -61.826 -18.9612 -47.6075 -18.9612 37.4269 -26.0399 -47.6074 -26.04 8.58557 GPRESSAVG: 1128600 -61.2819 -20.5204 -48.6619 -17.892 36.4822 -27.9541 -45.3692 -26.0005 9.19797 TIMING: 1128600 CPU: 3555.19, 0.00316385/step Wall: 3555.19, 0.00316385/step, 3.40237 hours remaining, 238.117188 MB of memory in use. ENERGY: 1128600 3905.8493 20564.4970 14390.7861 242.3327 -203720.9053 2655.3512 0.0000 0.0000 52157.0840 -109805.0049 299.7475 -161962.0889 -109444.9746 298.3877 74.3290 101.2340 762165.2612 -5.2712 -5.2006 PRESSURE: 1128800 -55.4995 37.5949 -2.86701 37.5932 111.431 173.955 -2.86635 173.955 91.5885 GPRESSURE: 1128800 -2.24285 7.45566 102.664 -11.2709 85.5822 186.119 -48.3514 2.80487 132.102 PRESSAVG: 1128800 -42.3931 20.9625 -51.2279 20.9625 28.4384 -42.5861 -51.2279 -42.5861 -9.21692 GPRESSAVG: 1128800 -43.7039 20.4218 -50.7523 18.7412 29.0112 -41.0756 -52.2969 -42.5365 -8.23496 TIMING: 1128800 CPU: 3555.82, 0.00314124/step Wall: 3555.82, 0.00314124/step, 3.37787 hours remaining, 238.117188 MB of memory in use. ENERGY: 1128800 3949.9951 20404.5057 14392.6912 261.4360 -203750.5926 2897.3480 0.0000 0.0000 52275.4288 -109569.1878 300.4276 -161844.6167 -109195.5308 298.8051 49.1734 71.8138 763003.5528 -7.7239 -7.6426 PRESSURE: 1129000 -112.438 -18.1866 26.4553 -18.1863 -63.4133 -137.338 26.4551 -137.338 72.4052 GPRESSURE: 1129000 -70.6723 19.2409 105.199 73.4502 -9.98478 -158.161 65.3364 -104.704 61.815 PRESSAVG: 1129000 -26.2194 19.5561 -6.50507 19.5561 77.3956 -26.4485 -6.50508 -26.4485 -22.399 GPRESSAVG: 1129000 -25.5511 20.0497 -7.4749 21.9618 77.495 -27.2292 -7.23585 -24.9175 -23.2003 TIMING: 1129000 CPU: 3556.45, 0.00314516/step Wall: 3556.45, 0.00314516/step, 3.38192 hours remaining, 238.117188 MB of memory in use. ENERGY: 1129000 3958.0260 20659.6367 14437.2208 263.0454 -203942.9018 2580.3011 0.0000 0.0000 52321.6861 -109722.9858 300.6934 -162044.6719 -109363.6022 299.6145 -34.4821 -6.2807 760375.5134 9.5924 9.5812 PRESSURE: 1129200 -30.8254 79.1419 -149.026 79.1426 128.076 -147.737 -149.027 -147.738 -402.936 GPRESSURE: 1129200 28.8369 112.256 -110.574 -48.8293 191.577 -206.877 -18.6249 -161.981 -443.755 PRESSAVG: 1129200 13.4181 -49.8107 4.31287 -49.8107 4.47655 -55.094 4.31281 -55.0941 -17.4653 GPRESSAVG: 1129200 13.6979 -48.5558 4.69581 -50.8109 4.64917 -52.8647 4.99403 -55.3295 -17.8235 TIMING: 1129200 CPU: 3557.08, 0.00316603/step Wall: 3557.08, 0.00316603/step, 3.40418 hours remaining, 238.117188 MB of memory in use. ENERGY: 1129200 4055.2905 20448.4614 14458.6074 248.6452 -203659.1715 2681.3781 0.0000 0.0000 52069.9683 -109696.8205 299.2468 -161766.7888 -109338.8412 299.0617 -101.8949 -74.4469 760478.4030 0.1431 0.1745 PRESSURE: 1129400 -269.404 -14.1382 -158.803 -14.1384 143.783 -3.46966 -158.802 -3.46895 136.24 GPRESSURE: 1129400 -259.212 5.73331 -109.128 -112.925 244.058 -54.0103 -187.671 57.9112 95.3353 PRESSAVG: 1129400 -4.3833 -67.9732 -14.0505 -67.9731 28.8679 -7.55 -14.0505 -7.55006 -17.9476 GPRESSAVG: 1129400 -5.60076 -68.7732 -13.9597 -67.485 29.4578 -8.31415 -13.1898 -9.65695 -17.1997 TIMING: 1129400 CPU: 3557.71, 0.00314367/step Wall: 3557.71, 0.00314367/step, 3.37997 hours remaining, 238.117188 MB of memory in use. ENERGY: 1129400 3920.2798 20430.9960 14528.3318 244.5657 -203605.2281 2671.3967 0.0000 0.0000 51958.3314 -109851.3267 298.6052 -161809.6581 -109488.0313 298.6678 3.5396 26.7272 760970.2263 2.1790 2.2191 PRESSURE: 1129600 -188.348 -82.3382 146.901 -82.3382 -302.686 151.686 146.901 151.685 -230.536 GPRESSURE: 1129600 -156.56 -50.6975 76.8437 -41.6953 -204.583 177.628 98.6297 135.824 -283.218 PRESSAVG: 1129600 -66.319 -22.9253 -34.7837 -22.9253 65.6838 12.9083 -34.7837 12.9083 -4.87949 GPRESSAVG: 1129600 -64.8185 -22.0533 -34.1918 -22.5413 64.6335 11.8841 -35.7581 17.1036 -5.15619 TIMING: 1129600 CPU: 3558.34, 0.00313963/step Wall: 3558.34, 0.00313963/step, 3.37545 hours remaining, 238.117188 MB of memory in use. ENERGY: 1129600 4021.0579 20396.4387 14470.1405 232.0849 -203586.7575 2631.3913 0.0000 0.0000 51911.9237 -109923.7204 298.3385 -161835.6441 -109561.3715 298.5592 -240.5233 -214.7868 761874.8015 -1.8382 -1.7804 PRESSURE: 1129800 -187.425 232.854 -35.1973 232.854 -5.1286 -180.125 -35.1965 -180.125 -52.533 GPRESSURE: 1129800 -86.1254 177.932 56.6455 386.618 -11.4992 -115.561 -86.6042 -58.2769 -22.4013 PRESSAVG: 1129800 17.7535 27.9334 -40.3327 27.9334 4.03117 69.0475 -40.3327 69.0475 -16.9049 GPRESSAVG: 1129800 17.1107 27.852 -41.8433 26.9375 3.76936 69.464 -38.3742 67.9347 -15.4808 TIMING: 1129800 CPU: 3558.97, 0.00314206/step Wall: 3558.97, 0.00314206/step, 3.37789 hours remaining, 238.117188 MB of memory in use. ENERGY: 1129800 4000.9948 20497.3793 14444.5529 244.5121 -203563.2499 2630.5590 0.0000 0.0000 51850.3040 -109894.9477 297.9844 -161745.2517 -109535.7144 298.2001 -81.6956 -40.0086 758934.6096 1.6266 1.7997 PRESSURE: 1130000 -261.841 -240.322 178.067 -240.323 -94.709 268.502 178.067 268.502 0.616345 GPRESSURE: 1130000 -193.428 -124.018 195.336 -196.281 -29.7939 162.499 237.693 172.201 -51.3718 PRESSAVG: 1130000 1.96616 34.1957 -19.4559 34.1957 -45.7362 61.1207 -19.4558 61.1206 -1.93765 GPRESSAVG: 1130000 3.83249 35.2473 -19.0517 34.8279 -47.1877 59.8253 -20.9494 60.1004 -2.4081 TIMING: 1130000 CPU: 3559.6, 0.00316308/step Wall: 3559.6, 0.00316308/step, 3.40031 hours remaining, 238.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1130000 4048.9601 20625.6902 14477.0762 245.1040 -203519.1342 2534.8185 0.0000 0.0000 51839.3336 -109748.1517 297.9214 -161587.4853 -109386.6549 298.5056 -118.6446 -91.5311 761876.8245 -15.2359 -15.2544 PRESSURE: 1130200 -199.207 28.8381 153.133 28.8375 246.791 -158.438 153.133 -158.438 162.233 GPRESSURE: 1130200 -44.369 58.2973 159.944 19.4781 177.447 -138.722 180.912 -115.221 163.811 PRESSAVG: 1130200 -10.9518 16.2882 -9.64956 16.2882 -14.5165 21.0238 -9.64958 21.0238 -3.0914 GPRESSAVG: 1130200 -12.907 15.9597 -9.76849 16.0322 -12.683 22.6548 -8.53609 19.6741 -3.52057 TIMING: 1130200 CPU: 3560.23, 0.00316608/step Wall: 3560.23, 0.00316608/step, 3.40336 hours remaining, 238.117188 MB of memory in use. ENERGY: 1130200 3868.9606 20524.2188 14484.5312 254.9502 -203104.1851 2453.9133 0.0000 0.0000 51966.0095 -109551.6014 298.6494 -161517.6109 -109184.3913 299.0786 69.9393 98.9632 762277.7774 -9.5199 -9.7035 PRESSURE: 1130400 -7.7854 53.687 77.6194 53.6879 71.5682 146.502 77.6189 146.502 19.4336 GPRESSURE: 1130400 64.5228 -36.8306 68.7871 -8.3924 117.39 136.623 -4.37508 221.222 -12.7107 PRESSAVG: 1130400 -59.1546 5.65744 9.23488 5.65744 46.8366 15.5297 9.23483 15.5298 1.13999 GPRESSAVG: 1130400 -59.8127 3.02264 9.32156 4.92822 47.4729 14.991 7.13922 15.9902 1.22688 TIMING: 1130400 CPU: 3560.86, 0.0031344/step Wall: 3560.86, 0.0031344/step, 3.36913 hours remaining, 238.117188 MB of memory in use. ENERGY: 1130400 3935.3132 20509.3177 14552.1121 275.8267 -203667.0560 2689.8977 0.0000 0.0000 52007.6259 -109696.9628 298.8885 -161704.5886 -109337.0865 298.7109 27.7388 56.4007 759894.4466 -3.7260 -3.7043 PRESSURE: 1130600 169.767 -14.1703 -163.796 -14.1711 -313.522 -104.297 -163.795 -104.298 -173.195 GPRESSURE: 1130600 85.9146 144.204 -125.284 30.8033 -181.881 -103.068 -68.3765 -102.652 -123.905 PRESSAVG: 1130600 -10.9258 -54.8389 25.5994 -54.839 -35.3713 -12.2807 25.5995 -12.2807 9.70621 GPRESSAVG: 1130600 -9.78959 -51.7307 23.4932 -53.9573 -36.2294 -12.599 28.805 -13.0668 9.11797 TIMING: 1130600 CPU: 3561.49, 0.00314231/step Wall: 3561.49, 0.00314231/step, 3.37746 hours remaining, 238.117188 MB of memory in use. ENERGY: 1130600 4023.5092 20610.7511 14543.2499 233.9373 -204015.2983 2803.9335 0.0000 0.0000 52065.1483 -109734.7690 299.2191 -161799.9173 -109368.1803 299.0445 -105.6500 -73.2906 760633.5376 -12.1969 -12.3003 PRESSURE: 1130800 -249.617 -124.548 62.483 -124.549 -4.49983 51.6654 62.4841 51.6646 -270.547 GPRESSURE: 1130800 -136.282 -73.788 100.793 -140.531 31.0686 185.734 77.3013 72.8208 -352.37 PRESSAVG: 1130800 2.29194 -63.5085 17.6572 -63.5085 35.8375 -2.35406 17.6572 -2.3541 -18.7264 GPRESSAVG: 1130800 1.76629 -62.9837 18.0456 -63.8369 35.1762 -2.39532 16.6428 -1.71442 -17.6908 TIMING: 1130800 CPU: 3562.12, 0.00314461/step Wall: 3562.12, 0.00314461/step, 3.37976 hours remaining, 238.117188 MB of memory in use. ENERGY: 1130800 3977.4330 20676.7868 14520.7559 223.9206 -203563.2896 2539.9106 0.0000 0.0000 51920.8342 -109703.6486 298.3897 -161624.4828 -109341.6059 299.0392 -174.8879 -152.5277 762536.6533 6.4677 6.4172 PRESSURE: 1131000 284.554 -122.918 181.78 -122.917 341.205 -34.8112 181.778 -34.8118 71.9202 GPRESSURE: 1131000 314.832 -141.155 188.043 -118.293 415.295 -138.303 192.771 -62.4294 62.2908 PRESSAVG: 1131000 -36.1932 -71.0317 58.3716 -71.0317 16.3326 -37.0958 58.3717 -37.0957 -30.677 GPRESSAVG: 1131000 -37.5038 -71.6812 59.7463 -71.5944 17.646 -36.5526 58.6245 -36.8475 -30.2323 TIMING: 1131000 CPU: 3562.75, 0.00315652/step Wall: 3562.75, 0.00315652/step, 3.39238 hours remaining, 238.117188 MB of memory in use. ENERGY: 1131000 3950.2608 20610.0659 14543.5470 259.6555 -203687.0030 2607.1700 0.0000 0.0000 52280.6312 -109435.6726 300.4575 -161716.3038 -109084.3037 299.3848 232.5598 264.1393 761069.9386 -16.8459 -16.6967 PRESSURE: 1131200 -83.8783 72.8555 205.679 72.8553 87.0654 -94.5554 205.678 -94.5556 -62.5831 GPRESSURE: 1131200 -90.3393 -34.4516 160.911 -8.1785 115.685 -82.7615 214.238 -103.826 -8.64785 PRESSAVG: 1131200 -14.7579 -106.311 -5.08379 -106.311 42.976 15.0661 -5.08381 15.066 22.4374 GPRESSAVG: 1131200 -12.9521 -105.497 -6.30602 -108.62 40.6348 15.4099 -6.67027 13.8182 23.0607 TIMING: 1131200 CPU: 3563.38, 0.00313675/step Wall: 3563.38, 0.00313675/step, 3.37096 hours remaining, 238.117188 MB of memory in use. ENERGY: 1131200 4092.9937 20536.5391 14575.9860 257.6278 -203317.2808 2206.1747 0.0000 0.0000 52277.3287 -109370.6308 300.4385 -161647.9595 -109012.6180 299.8621 -19.7987 5.5658 759720.7989 16.8852 16.9144 PRESSURE: 1131400 111.117 20.6644 -220.147 20.6647 224.396 178.652 -220.147 178.652 265.461 GPRESSURE: 1131400 242.594 1.14207 -120.881 14.086 262.777 103.038 -186.25 61.4686 173.919 PRESSAVG: 1131400 -19.1897 -44.2811 -19.254 -44.2811 43.0738 31.6128 -19.254 31.6128 -0.00371655 GPRESSAVG: 1131400 -19.2875 -46.8306 -18.581 -40.5054 43.5806 32.8097 -17.223 31.3535 -0.257997 TIMING: 1131400 CPU: 3564.01, 0.00314756/step Wall: 3564.01, 0.00314756/step, 3.38241 hours remaining, 238.117188 MB of memory in use. ENERGY: 1131400 3984.0559 20690.8602 14529.7685 250.7060 -203659.1858 2707.3044 0.0000 0.0000 52321.4065 -109175.0842 300.6918 -161496.4907 -108817.1235 300.0273 200.3247 226.4300 760810.9749 7.9601 8.0117 PRESSURE: 1131600 -43.8036 -10.5625 -152.402 -10.5636 -190.859 247.744 -152.402 247.744 -189.021 GPRESSURE: 1131600 -134.406 44.9896 -176.941 71.2434 -125.135 281.91 31.7278 125.049 -84.9493 PRESSAVG: 1131600 -15.2955 -33.7561 22.5592 -33.756 7.92273 -22.2633 22.5592 -22.2632 -8.10105 GPRESSAVG: 1131600 -14.5696 -32.2941 22.3132 -35.692 7.42191 -22.1492 22.8191 -21.9068 -8.79107 TIMING: 1131600 CPU: 3564.64, 0.00315129/step Wall: 3564.64, 0.00315129/step, 3.38623 hours remaining, 238.117188 MB of memory in use. ENERGY: 1131600 4048.1060 20762.9985 14528.0656 226.3862 -202858.2401 2315.0293 0.0000 0.0000 51660.5136 -109317.1409 296.8937 -160977.6545 -108971.9313 300.0768 -141.2277 -114.8300 762205.5012 -5.1580 -5.3129 PRESSURE: 1131800 -70.6598 118.096 -35.1523 118.096 -143.313 -83.9732 -35.153 -83.9729 -12.0501 GPRESSURE: 1131800 -43.2502 162.797 -16.7395 107.641 -98.5904 -17.4876 53.5171 -32.2606 -16.8919 PRESSAVG: 1131800 -37.2485 32.6752 15.9822 32.6752 29.1932 31.9201 15.9821 31.9202 -20.0856 GPRESSAVG: 1131800 -38.7426 34.0387 17.6311 31.6011 30.0668 30.9738 15.5468 35.1784 -18.7334 TIMING: 1131800 CPU: 3565.27, 0.00315758/step Wall: 3565.27, 0.00315758/step, 3.39282 hours remaining, 238.117188 MB of memory in use. ENERGY: 1131800 3967.5977 20612.5514 14477.5495 259.2370 -203275.5112 2459.3156 0.0000 0.0000 52156.6201 -109342.6398 299.7448 -161499.2599 -108987.1763 299.6508 -75.3409 -52.9109 761986.2878 -9.3803 -9.1364 PRESSURE: 1132000 -316.887 -345.461 128.896 -345.461 -111.46 -20.9264 128.896 -20.9253 177.309 GPRESSURE: 1132000 -274.574 -252.723 76.489 -290.148 -101.483 -48.3139 104.321 -119.751 224.371 PRESSAVG: 1132000 -33.6573 14.1481 1.51908 14.1482 10.349 16.1105 1.51907 16.1105 -5.7676 GPRESSAVG: 1132000 -33.237 13.4871 -0.846621 16.7624 11.7997 14.9031 2.52407 15.1675 -7.3556 TIMING: 1132000 CPU: 3565.9, 0.0031564/step Wall: 3565.9, 0.0031564/step, 3.39138 hours remaining, 238.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1132000 4014.0826 20437.7148 14489.6742 252.9461 -203233.2808 2693.2622 0.0000 0.0000 51983.3920 -109362.2089 298.7493 -161345.6009 -108997.9729 299.8473 -83.6792 -50.5621 763122.1284 -9.6920 -9.5976 PRESSURE: 1132200 126.936 202.548 -119.882 202.547 100.037 -102.831 -119.883 -102.831 56.8901 GPRESSURE: 1132200 221.369 163.721 -157.254 220.526 97.5123 -36.3748 -129.511 -98.8943 40.3908 PRESSAVG: 1132200 -32.771 -17.3441 6.0621 -17.3441 3.26884 36.8678 6.06216 36.8678 -22.6772 GPRESSAVG: 1132200 -31.4099 -16.8709 5.54062 -16.9562 1.11573 37.1644 6.04482 37.4692 -21.9457 TIMING: 1132200 CPU: 3566.53, 0.00314728/step Wall: 3566.53, 0.00314728/step, 3.3814 hours remaining, 238.117188 MB of memory in use. ENERGY: 1132200 3925.0142 20608.6577 14506.7205 255.6125 -203423.0534 2734.8554 0.0000 0.0000 52305.0467 -109087.1464 300.5978 -161392.1931 -108724.2734 300.0067 94.6211 119.7575 761609.6372 -17.3931 -17.4133 LDB: ============= START OF LOAD BALANCING ============== 3578.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3578.93 LDB: =============== DONE WITH MIGRATION ================ 3578.93 LDB: ============= START OF LOAD BALANCING ============== 3579.25 LDB: Largest compute 7077 load 0.032894 is 16.8% of average load 0.195943 LDB: Average compute 0.004357 is 2.2% of average load 0.195943 LDB: TIME 3579.25 LOAD: AVG 0.195943 MAX 0.216065 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.863 MB LDB: TIME 3579.25 LOAD: AVG 0.195943 MAX 0.216065 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.863 MB LDB: TIME 3579.25 LOAD: AVG 0.195943 MAX 0.216065 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3579.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3579.26 PRESSURE: 1132400 -48.9836 -111.506 65.0524 -111.505 -274.127 219.862 65.0517 219.862 136.942 GPRESSURE: 1132400 -178.998 24.5772 37.8206 -157.859 -84.6634 253.233 108.173 131.231 163.739 PRESSAVG: 1132400 40.4905 22.737 50.9563 22.737 -20.2947 -1.62681 50.9562 -1.62677 -27.4802 GPRESSAVG: 1132400 40.3782 23.3963 52.4739 23.6654 -20.1561 -1.90221 48.4579 -2.86059 -27.4553 TIMING: 1132400 CPU: 3567.18, 0.00322879/step Wall: 3567.18, 0.00322879/step, 3.4688 hours remaining, 238.082031 MB of memory in use. ENERGY: 1132400 4064.8405 20628.6291 14481.8352 254.0279 -203274.4067 2439.3690 0.0000 0.0000 52228.7347 -109176.9703 300.1593 -161405.7049 -108819.0860 301.0939 -62.0560 -33.3075 761633.2558 -2.4281 -2.4111 PRESSURE: 1132600 -172.35 -40.7112 -75.7173 -40.7112 11.5635 -181.209 -75.7181 -181.209 155.376 GPRESSURE: 1132600 -189.25 -59.3382 -28.4866 -71.3573 76.6617 -89.7832 -71.9374 -209.635 181.41 PRESSAVG: 1132600 1.51167 -27.0383 31.3297 -27.0383 3.96677 5.45919 31.3296 5.45917 15.6108 GPRESSAVG: 1132600 -1.04483 -27.8116 31.3661 -29.5555 6.2021 6.53363 31.9832 6.29681 16.1343 TIMING: 1132600 CPU: 3567.81, 0.00314909/step Wall: 3567.81, 0.00314909/step, 3.383 hours remaining, 238.488281 MB of memory in use. ENERGY: 1132600 3992.2186 20551.6039 14503.0165 233.4591 -203161.7911 2455.5113 0.0000 0.0000 52005.5309 -109420.4509 298.8765 -161425.9818 -109051.2388 300.3337 -1.8034 22.9405 760870.2766 7.0297 7.0972 PRESSURE: 1132800 -140.932 54.7681 31.934 54.7684 -547.575 173.39 31.9342 173.39 60.884 GPRESSURE: 1132800 -189.303 71.4353 -9.99793 -3.68697 -368.572 213.984 144.894 167.576 22.0362 PRESSAVG: 1132800 0.792876 18.879 5.02151 18.879 46.7615 -2.25183 5.02152 -2.25184 -0.572205 GPRESSAVG: 1132800 2.11938 19.3356 5.3056 18.8023 45.6006 -2.7586 4.47659 -3.29305 -0.540453 TIMING: 1132800 CPU: 3568.43, 0.00313924/step Wall: 3568.43, 0.00313924/step, 3.37224 hours remaining, 238.488281 MB of memory in use. ENERGY: 1132800 3989.9205 20379.4402 14401.9066 264.4923 -203516.7591 2419.3549 0.0000 0.0000 52412.7631 -109648.8814 301.2169 -162061.6445 -109275.8442 299.5281 -209.2075 -178.6129 761161.7210 15.6607 15.7265 PRESSURE: 1133000 12.6949 26.0579 -145.303 26.0563 168.82 -179.019 -145.302 -179.019 526.58 GPRESSURE: 1133000 78.5703 65.1486 -31.6324 -81.8658 250.971 -284.258 -80.1672 -19.4623 453.669 PRESSAVG: 1133000 -28.4031 -0.465539 29.1483 -0.465554 35.2511 10.2018 29.1483 10.2017 1.20294 GPRESSAVG: 1133000 -27.0546 -0.819864 29.5818 -1.30726 35.8266 10.0117 28.3273 10.774 -0.969461 TIMING: 1133000 CPU: 3569.07, 0.00316243/step Wall: 3569.07, 0.00316243/step, 3.39698 hours remaining, 238.488281 MB of memory in use. ENERGY: 1133000 3955.5621 20466.1463 14350.9759 235.0959 -203275.2840 2709.0513 0.0000 0.0000 52117.3980 -109441.0545 299.5194 -161558.4525 -109080.5280 299.3971 236.0319 261.0700 761104.0653 2.6837 2.6008 PRESSURE: 1133200 -120.152 15.0518 -13.0923 15.0522 77.8666 159.998 -13.0929 159.997 -238.192 GPRESSURE: 1133200 -123.223 -28.5966 -27.7143 -20.9383 195.319 136.572 177.776 76.1703 -258.54 PRESSAVG: 1133200 -57.0882 35.0879 21.0323 35.0879 46.4287 27.3786 21.0323 27.3786 -0.740337 GPRESSAVG: 1133200 -58.5064 35.6005 20.5451 35.7754 47.0878 28.2571 21.8778 25.6656 -0.19148 TIMING: 1133200 CPU: 3569.7, 0.00315286/step Wall: 3569.7, 0.00315286/step, 3.38653 hours remaining, 238.488281 MB of memory in use. ENERGY: 1133200 3950.2800 20269.5728 14457.5978 249.3488 -203253.7450 2522.4950 0.0000 0.0000 52116.8287 -109687.6219 299.5161 -161804.4506 -109320.9833 299.9163 -93.4926 -62.1478 760202.4873 -3.7999 -3.8700 PRESSURE: 1133400 -62.1625 127.574 69.8213 127.574 168.731 91.8436 69.8214 91.8432 -285.547 GPRESSURE: 1133400 -87.3568 254.916 37.8167 158.608 244.708 76.4711 -1.61225 60.8361 -263.359 PRESSAVG: 1133400 -20.3956 -24.1493 21.7692 -24.1493 44.5375 39.6691 21.7692 39.6691 5.15888 GPRESSAVG: 1133400 -20.5393 -24.7867 20.742 -22.8016 43.5197 39.2074 23.0413 39.8609 6.11892 TIMING: 1133400 CPU: 3570.33, 0.00316234/step Wall: 3570.33, 0.00316234/step, 3.39653 hours remaining, 238.488281 MB of memory in use. ENERGY: 1133400 3966.9231 20472.8445 14442.5995 253.0789 -203214.5257 2626.5145 0.0000 0.0000 52047.4309 -109405.1343 299.1173 -161452.5651 -109044.1568 299.4468 -59.6596 -35.3359 759181.6830 9.7669 9.6998 PRESSURE: 1133600 295.097 -17.1882 188.411 -17.1882 343.551 110.658 188.411 110.658 239.575 GPRESSURE: 1133600 360.751 63.5911 173.071 -125.627 318.438 106.351 225.924 -10.0951 294.913 PRESSAVG: 1133600 -47.352 -20.3391 63.4862 -20.3391 74.7661 2.43482 63.4862 2.43483 9.62949 GPRESSAVG: 1133600 -47.1776 -20.0105 64.2573 -20.1569 74.6482 3.32239 59.3428 1.93881 9.67824 TIMING: 1133600 CPU: 3570.96, 0.00316791/step Wall: 3570.96, 0.00316791/step, 3.40233 hours remaining, 238.523438 MB of memory in use. ENERGY: 1133600 4042.7199 20316.3472 14369.9559 240.4358 -203598.6401 2833.4959 0.0000 0.0000 52360.8123 -109434.8730 300.9183 -161795.6853 -109073.6890 299.9100 292.7413 324.7011 760340.3803 12.3478 12.3829 PRESSURE: 1133800 -105.984 29.2554 -128.926 29.2554 179.7 -96.0065 -128.926 -96.0052 -120.248 GPRESSURE: 1133800 -36.5152 140.622 -140.494 -47.6928 87.8338 22.1972 -206.062 -94.5494 -5.02272 PRESSAVG: 1133800 -32.6146 -23.1834 78.6486 -23.1834 64.5906 -12.9583 78.6486 -12.9581 -32.7825 GPRESSAVG: 1133800 -31.2159 -24.6239 78.7923 -23.5252 64.0703 -14.4413 80.9078 -11.6683 -33.5533 TIMING: 1133800 CPU: 3571.59, 0.00315308/step Wall: 3571.59, 0.00315308/step, 3.38624 hours remaining, 238.523438 MB of memory in use. ENERGY: 1133800 4016.3020 20558.6781 14391.9275 255.0143 -203370.2006 2662.6604 0.0000 0.0000 51996.4263 -109489.1919 298.8242 -161485.6182 -109130.3128 299.5301 -15.5106 15.4320 761046.3484 -0.2688 -0.2330 PRESSURE: 1134000 -13.5732 -141.181 -245.109 -141.18 -32.3424 40.3297 -245.109 40.3302 -375.466 GPRESSURE: 1134000 43.1815 -203.033 -245.957 -200.246 0.850232 73.8167 -174.145 38.0038 -378.519 PRESSAVG: 1134000 -5.57591 -62.2262 19.8283 -62.2262 8.91031 13.3878 19.8283 13.3877 5.41265 GPRESSAVG: 1134000 -7.17147 -61.0918 18.7025 -61.6016 10.427 13.9984 20.6914 13.7173 5.4609 TIMING: 1134000 CPU: 3572.23, 0.00316246/step Wall: 3572.23, 0.00316246/step, 3.39614 hours remaining, 238.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1134000 3911.8946 20538.2145 14492.5636 247.9543 -203166.5697 2318.9036 0.0000 0.0000 52187.5185 -109469.5206 299.9224 -161657.0391 -109100.2687 299.7402 -140.4605 -111.4959 760881.1053 2.9157 2.9055 PRESSURE: 1134200 121.4 -186.346 5.09745 -186.346 -211.207 -5.82003 5.09816 -5.82048 66.752 GPRESSURE: 1134200 80.2626 -191.663 26.9452 -70.537 -157.041 42.8852 -40.9703 47.4416 144.693 PRESSAVG: 1134200 -3.10756 -79.9567 -43.9244 -79.9568 17.6456 50.9857 -43.9244 50.9857 13.1815 GPRESSAVG: 1134200 -3.96472 -78.4105 -43.3404 -81.6154 17.2566 49.8987 -45.268 52.9959 14.384 TIMING: 1134200 CPU: 3572.86, 0.00315572/step Wall: 3572.86, 0.00315572/step, 3.38871 hours remaining, 238.523438 MB of memory in use. ENERGY: 1134200 3989.8130 20527.9620 14488.6429 237.6959 -203487.1122 2727.5231 0.0000 0.0000 52010.6234 -109504.8517 298.9058 -161515.4751 -109136.6136 299.8931 -7.6850 22.6382 761107.3370 9.2398 9.2253 PRESSURE: 1134400 628.435 -61.7812 116.223 -61.7814 75.427 -20.6104 116.222 -20.6106 -224.431 GPRESSURE: 1134400 625.098 -15.8121 206.945 21.7382 119.937 -8.86964 66.3095 77.1229 -162.604 PRESSAVG: 1134400 48.8068 -12.0218 -13.9509 -12.0218 -29.0278 46.5343 -13.9509 46.5342 -22.3288 GPRESSAVG: 1134400 48.9548 -12.699 -14.5175 -10.9575 -28.5326 46.7744 -13.7788 43.091 -22.7333 TIMING: 1134400 CPU: 3573.49, 0.00315254/step Wall: 3573.49, 0.00315254/step, 3.38513 hours remaining, 238.523438 MB of memory in use. ENERGY: 1134400 4020.6246 20523.1645 14400.0094 254.8448 -203889.1341 2985.1661 0.0000 0.0000 52258.4204 -109446.9042 300.3299 -161705.3246 -109087.2712 299.8283 159.8102 194.1437 758849.9540 -0.8500 -0.7704 PRESSURE: 1134600 -179.793 -112.378 -127.16 -112.376 -285.015 -72.143 -127.16 -72.1422 -132.015 GPRESSURE: 1134600 -79.9844 -177.998 -108.372 -35.1157 -287.289 -144.362 -155.46 -154.007 -132.528 PRESSAVG: 1134600 -25.4816 -17.48 -53.4075 -17.4799 25.326 24.9718 -53.4076 24.9718 -5.4958 GPRESSAVG: 1134600 -24.067 -15.5496 -52.327 -18.1664 24.933 24.7077 -52.372 26.2925 -6.22111 TIMING: 1134600 CPU: 3574.12, 0.00316709/step Wall: 3574.12, 0.00316709/step, 3.40058 hours remaining, 238.523438 MB of memory in use. ENERGY: 1134600 4007.6089 20531.9778 14458.8238 238.4230 -203155.4441 2465.3449 0.0000 0.0000 51947.1085 -109506.1572 298.5407 -161453.2657 -109145.6871 299.9377 -198.9410 -166.6005 761512.5585 -1.8838 -1.7850 PRESSURE: 1134800 23.5973 45.0029 11.7014 45.0036 -247.098 107.679 11.7019 107.68 26.4068 GPRESSURE: 1134800 65.2378 66.546 -80.847 -2.32102 -193.029 97.4376 11.3687 61.6027 35.9603 PRESSAVG: 1134800 52.119 -10.6239 21.4556 -10.6238 -36.9804 -40.6065 21.4556 -40.6065 11.4837 GPRESSAVG: 1134800 50.7122 -12.8056 20.4702 -9.92546 -37.0927 -41.5518 20.2934 -40.9598 12.867 TIMING: 1134800 CPU: 3574.75, 0.00316364/step Wall: 3574.75, 0.00316363/step, 3.39669 hours remaining, 238.523438 MB of memory in use. ENERGY: 1134800 4000.7317 20649.6594 14479.6534 233.8501 -203619.2507 2584.7066 0.0000 0.0000 52090.8562 -109579.7932 299.3669 -161670.6494 -109223.2840 299.7138 -65.6981 -30.6103 758661.7387 8.8741 8.8288 PRESSURE: 1135000 7.24842 5.43586 111.386 5.43575 48.9537 128.534 111.387 128.535 467.694 GPRESSURE: 1135000 49.6293 31.3196 87.5971 3.85328 103.911 91.3558 111 -20.825 441.565 PRESSAVG: 1135000 -4.10679 12.0717 -24.6428 12.0717 4.32463 -46.4123 -24.6427 -46.4123 4.04882 GPRESSAVG: 1135000 -1.59882 12.5995 -24.5841 9.60811 3.09473 -46.1154 -24.0345 -47.6272 2.63801 TIMING: 1135000 CPU: 3575.38, 0.00315165/step Wall: 3575.38, 0.00315165/step, 3.38365 hours remaining, 238.523438 MB of memory in use. ENERGY: 1135000 3965.2387 20492.7611 14470.0299 259.3458 -203708.1225 2658.1837 0.0000 0.0000 52236.6674 -109625.8958 300.2048 -161862.5632 -109260.7108 299.3116 174.6320 198.3685 759930.4114 1.4222 1.3780 PRESSURE: 1135200 430.099 79.8735 118.581 79.8733 305.067 262.428 118.582 262.428 -275.27 GPRESSURE: 1135200 592.754 80.9106 105.717 143.666 215.232 284.115 14.5112 208.424 -290.772 PRESSAVG: 1135200 -37.8917 -9.29181 42.701 -9.29181 19.579 -48.911 42.701 -48.9109 24.1664 GPRESSAVG: 1135200 -39.205 -9.30878 42.5608 -6.87418 20.2423 -48.2476 42.6013 -45.5465 24.3132 TIMING: 1135200 CPU: 3576.02, 0.00316248/step Wall: 3576.02, 0.00316248/step, 3.3951 hours remaining, 238.523438 MB of memory in use. ENERGY: 1135200 3990.9422 20498.9302 14430.7072 259.5093 -203599.2615 2679.3238 0.0000 0.0000 52192.6721 -109547.1768 299.9520 -161739.8489 -109188.0659 299.6981 153.2985 172.4047 760942.4900 1.9512 1.7835 PRESSURE: 1135400 -204.143 -97.8571 85.5468 -97.8563 47.8121 -123.43 85.5458 -123.429 261.558 GPRESSURE: 1135400 -223.522 -126.717 208.272 51.0542 57.9268 -190.869 22.4572 -112.688 336.629 PRESSAVG: 1135400 -40.9351 11.1737 18.1786 11.1736 -3.26697 -28.813 18.1786 -28.813 26.7277 GPRESSAVG: 1135400 -42.1188 10.3502 18.6039 11.0369 -2.20542 -27.7791 16.9315 -32.6836 27.1319 TIMING: 1135400 CPU: 3576.65, 0.00316612/step Wall: 3576.65, 0.00316612/step, 3.39883 hours remaining, 238.523438 MB of memory in use. ENERGY: 1135400 3946.6650 20496.0242 14412.6397 260.4101 -203604.0528 2710.9615 0.0000 0.0000 52215.8546 -109561.4977 300.0852 -161777.3523 -109198.1581 299.1588 35.0756 57.0114 761784.1946 -5.8248 -5.7308 PRESSURE: 1135600 465.406 -1.97059 -347.653 -1.97041 -76.9991 147.267 -347.652 147.267 -74.163 GPRESSURE: 1135600 436.238 31.7291 -239.394 88.4631 -6.22261 93.787 -304.31 69.8948 -52.22 PRESSAVG: 1135600 -16.3788 36.1864 9.54465 36.1864 6.02062 -39.6313 9.5447 -39.6313 -1.39509 GPRESSAVG: 1135600 -15.7725 36.1673 10.7293 37.1125 5.91045 -40.67 11.8776 -39.3478 -2.01621 TIMING: 1135600 CPU: 3577.28, 0.00316671/step Wall: 3577.28, 0.00316671/step, 3.39929 hours remaining, 238.523438 MB of memory in use. ENERGY: 1135600 3957.7972 20562.7830 14463.1623 259.5156 -203911.2573 2911.1093 0.0000 0.0000 52026.1071 -109730.7827 298.9948 -161756.8898 -109373.4065 299.0364 104.7480 125.9319 760513.6194 -3.9178 -3.9594 PRESSURE: 1135800 157.084 -104.761 -200.209 -104.761 -35.0053 -122.665 -200.209 -122.664 -81.2131 GPRESSURE: 1135800 198.915 -64.0361 -281.87 -128.498 18.7931 -142.341 -268.369 -66.5089 -72.019 PRESSAVG: 1135800 25.9832 -2.28082 -17.6723 -2.28079 -12.6968 -34.7983 -17.6723 -34.7984 11.77 GPRESSAVG: 1135800 26.6116 -2.22248 -19.6195 -1.76244 -14.0212 -34.7496 -16.559 -33.8102 11.8149 TIMING: 1135800 CPU: 3577.91, 0.0031275/step Wall: 3577.91, 0.0031275/step, 3.35702 hours remaining, 238.523438 MB of memory in use. ENERGY: 1135800 3927.1684 20521.2214 14375.2292 262.1555 -203442.9070 2580.2413 0.0000 0.0000 52115.4070 -109661.4843 299.5080 -161776.8913 -109301.9073 298.6528 13.6218 48.5630 760828.3851 8.3521 8.1351 PRESSURE: 1136000 -37.461 -159.781 124.18 -159.782 -62.9655 8.24257 124.18 8.2425 -142.181 GPRESSURE: 1136000 14.042 -144.334 81.6852 -116.916 56.0712 139.577 31.9681 88.8449 -209.423 PRESSAVG: 1136000 51.7987 22.7585 13.5237 22.7584 -55.0371 -3.05238 13.5237 -3.0524 -11.6286 GPRESSAVG: 1136000 51.5331 23.9514 13.8751 22.8943 -55.6782 -4.3465 11.1762 -2.75041 -10.8402 TIMING: 1136000 CPU: 3578.54, 0.0031703/step Wall: 3578.54, 0.0031703/step, 3.40279 hours remaining, 238.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1136000 3991.5450 20541.9276 14481.3360 267.6564 -203408.2432 2404.9531 0.0000 0.0000 52092.6750 -109628.1502 299.3773 -161720.8252 -109270.0224 299.5169 -80.8693 -46.4365 760984.5619 -4.9557 -4.9951 PRESSURE: 1136200 -108.107 -84.2654 -197.015 -84.2654 -170.104 -129.614 -197.016 -129.614 20.5046 GPRESSURE: 1136200 -126.558 -71.8617 -238.892 7.49063 -81.0397 -84.93 -186.36 -133.241 44.3596 PRESSAVG: 1136200 34.5014 -37.2198 -0.0148513 -37.2198 -1.39411 -6.68502 -0.0148603 -6.68501 2.56111 GPRESSAVG: 1136200 33.481 -38.1121 0.885127 -38.8398 -0.342859 -6.42706 -0.999153 -7.09848 2.03834 TIMING: 1136200 CPU: 3579.17, 0.00315812/step Wall: 3579.17, 0.00315812/step, 3.38954 hours remaining, 238.523438 MB of memory in use. ENERGY: 1136200 3992.1245 20644.7390 14438.0385 240.7830 -203531.0222 2719.7651 0.0000 0.0000 52024.7715 -109470.8006 298.9871 -161495.5721 -109114.9727 299.4272 -85.9020 -54.4128 761069.9379 11.8895 11.7255 LDB: ============= START OF LOAD BALANCING ============== 3591.57 LDB: ============== END OF LOAD BALANCING =============== 3591.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3591.57 LDB: ============= START OF LOAD BALANCING ============== 3591.89 LDB: Largest compute 7045 load 0.032923 is 16.8% of average load 0.195947 LDB: Average compute 0.004390 is 2.2% of average load 0.195947 LDB: TIME 3591.89 LOAD: AVG 0.195947 MAX 0.217772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.602 MB LDB: TIME 3591.89 LOAD: AVG 0.195947 MAX 0.217772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.602 MB LDB: TIME 3591.89 LOAD: AVG 0.195947 MAX 0.217772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.602 MB LDB: ============== END OF LOAD BALANCING =============== 3591.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3591.9 PRESSURE: 1136400 -206.87 134.014 26.1795 134.014 -70.9743 6.5131 26.1794 6.51373 406.592 GPRESSURE: 1136400 -164.46 196.936 48.7066 106.914 23.2077 8.47634 97.9812 -16.336 362.627 PRESSAVG: 1136400 -13.0514 7.87416 -28.8214 7.87411 -10.4127 16.1873 -28.8213 16.1874 14.24 GPRESSAVG: 1136400 -13.438 7.72817 -29.3862 6.56979 -9.34496 16.6812 -27.1209 16.4247 13.9213 TIMING: 1136400 CPU: 3579.82, 0.00322791/step Wall: 3579.82, 0.00322791/step, 3.46426 hours remaining, 237.093750 MB of memory in use. ENERGY: 1136400 3925.8359 20506.2986 14336.6995 234.7829 -202715.0852 2259.5151 0.0000 0.0000 51959.4514 -109492.5018 298.6117 -161451.9531 -109123.7839 299.3335 42.9160 73.7914 761167.5770 -3.0747 -2.9539 PRESSURE: 1136600 -483.937 -324.45 180.062 -324.45 -389.807 -37.7779 180.061 -37.7788 -158.712 GPRESSURE: 1136600 -479.814 -368.487 211.668 -302.64 -306.411 7.70563 89.6789 -46.2152 -167.113 PRESSAVG: 1136600 -25.9456 -30.8591 17.0327 -30.8591 9.76038 -27.1867 17.0328 -27.1867 -5.18321 GPRESSAVG: 1136600 -25.6562 -31.3207 17.7064 -29.9848 9.59062 -27.6216 14.8339 -27.7311 -5.07679 TIMING: 1136600 CPU: 3580.45, 0.00315568/step Wall: 3580.45, 0.00315568/step, 3.38657 hours remaining, 237.296875 MB of memory in use. ENERGY: 1136600 4015.3174 20631.7785 14468.1680 218.1445 -203311.4027 2224.4633 0.0000 0.0000 52218.1700 -109535.3610 300.0985 -161753.5311 -109180.3010 299.3147 -344.1518 -317.7793 762304.6364 -7.1228 -7.0475 PRESSURE: 1136800 70.9948 -88.3707 -129.617 -88.3699 26.6011 -102.46 -129.618 -102.459 1.47409 GPRESSURE: 1136800 37.6799 -72.6595 -130.474 -0.466055 97.3614 -79.1473 2.09255 6.69424 32.2341 PRESSAVG: 1136800 -8.75355 -67.6872 -17.7381 -67.6872 -27.012 57.9173 -17.7382 57.9174 -13.1489 GPRESSAVG: 1136800 -8.93729 -67.23 -17.3724 -67.9309 -27.6569 59.5517 -15.6125 59.8644 -12.4829 TIMING: 1136800 CPU: 3581.08, 0.00315537/step Wall: 3581.08, 0.00315537/step, 3.38607 hours remaining, 237.296875 MB of memory in use. ENERGY: 1136800 4044.3124 20482.0466 14529.2460 251.7953 -203762.6692 2757.9448 0.0000 0.0000 52247.8999 -109449.4242 300.2694 -161697.3241 -109088.2313 299.7158 33.0233 55.7585 761030.7588 -16.3048 -16.3591 PRESSURE: 1137000 -156.861 -121.103 -209.344 -121.103 -215.916 82.8766 -209.345 82.8769 63.5507 GPRESSURE: 1137000 -167.507 -74.4837 -211.361 -146.167 -131.136 116.423 -197.365 59.6528 50.8751 PRESSAVG: 1137000 -0.847276 -37.9805 34.3399 -37.9806 -6.84816 35.3474 34.3398 35.3474 19.1942 GPRESSAVG: 1137000 -0.303471 -37.2264 32.4875 -37.5455 -6.98695 34.3867 33.9585 35.0144 19.0616 TIMING: 1137000 CPU: 3581.71, 0.00315556/step Wall: 3581.71, 0.00315556/step, 3.38609 hours remaining, 237.296875 MB of memory in use. ENERGY: 1137000 3900.1048 20506.2777 14442.0189 243.3422 -203118.9167 2310.1503 0.0000 0.0000 52091.2924 -109625.7304 299.3694 -161717.0228 -109261.0625 299.0428 -103.0757 -82.5892 762915.3172 3.8329 3.9237 PRESSURE: 1137200 171.508 79.5297 119.037 79.5298 21.8885 -272.24 119.037 -272.241 -341.156 GPRESSURE: 1137200 103.043 142.292 68.6309 17.0423 155.897 -293.09 115.794 -190.249 -305.429 PRESSAVG: 1137200 20.0434 -25.8364 -11.5422 -25.8364 -19.5723 -17.3079 -11.5423 -17.3078 41.6406 GPRESSAVG: 1137200 20.6091 -26.8343 -10.0415 -26.8993 -19.5215 -18.9911 -10.398 -17.4889 40.9575 TIMING: 1137200 CPU: 3582.34, 0.00314439/step Wall: 3582.34, 0.00314439/step, 3.37393 hours remaining, 237.296875 MB of memory in use. ENERGY: 1137200 3980.6609 20408.8085 14481.5565 242.2528 -203461.8565 2547.9843 0.0000 0.0000 52095.7284 -109704.8651 299.3949 -161800.5935 -109334.8983 298.9376 -49.2534 -15.4963 761464.9113 14.0372 14.0151 PRESSURE: 1137400 260.07 -7.08668 81.537 -7.08738 -7.27339 48.9387 81.5379 48.9391 -306.813 GPRESSURE: 1137400 309.377 -40.952 -21.4333 -28.6506 -34.6725 100.299 2.78821 9.188 -238.604 PRESSAVG: 1137400 -22.0238 -69.1005 21.5705 -69.1005 25.5833 -11.486 21.5705 -11.486 -21.3407 GPRESSAVG: 1137400 -22.6098 -68.3493 21.7371 -69.2821 25.9539 -9.53838 19.7393 -12.7893 -21.3038 TIMING: 1137400 CPU: 3582.97, 0.00314575/step Wall: 3582.97, 0.00314575/step, 3.37522 hours remaining, 237.296875 MB of memory in use. ENERGY: 1137400 4044.2977 20663.3079 14467.1240 252.8290 -203441.6495 2538.6900 0.0000 0.0000 52014.9832 -109460.4179 298.9308 -161475.4010 -109094.4136 299.3588 -18.0053 12.0334 760660.5921 -5.9271 -5.9866 PRESSURE: 1137600 145.699 -71.8108 -55.3195 -71.8103 -33.1024 64.4218 -55.3188 64.4223 -34.117 GPRESSURE: 1137600 139.982 -109.757 30.6765 -130.914 14.8291 34.5179 -8.76394 53.5849 7.62234 PRESSAVG: 1137600 14.3115 -25.7698 49.6358 -25.7698 -51.0878 14.3755 49.6358 14.3754 -8.69627 GPRESSAVG: 1137600 15.8948 -26.5076 50.5193 -25.6988 -53.1108 12.4998 51.1218 13.6398 -8.71689 TIMING: 1137600 CPU: 3583.6, 0.00315438/step Wall: 3583.6, 0.00315438/step, 3.3843 hours remaining, 237.296875 MB of memory in use. ENERGY: 1137600 4053.5758 20692.1475 14429.8494 249.4755 -203791.4515 2744.4171 0.0000 0.0000 52135.0670 -109486.9192 299.6209 -161621.9862 -109131.7747 299.8575 26.1600 54.1444 759916.1468 -15.1575 -15.3109 PRESSURE: 1137800 93.484 97.9136 143.743 97.9134 59.4258 -47.2347 143.741 -47.2349 -27.1217 GPRESSURE: 1137800 23.97 223.074 168.553 116.196 182.149 -75.3404 -1.61603 -46.5469 -23.0431 PRESSAVG: 1137800 39.3271 -9.9202 24.4025 -9.92033 -31.1154 7.95331 24.4025 7.95337 1.36407 GPRESSAVG: 1137800 38.9184 -10.012 22.8901 -8.52855 -30.2295 10.0922 24.3036 8.07095 0.839161 TIMING: 1137800 CPU: 3584.23, 0.00315007/step Wall: 3584.23, 0.00315007/step, 3.3795 hours remaining, 237.296875 MB of memory in use. ENERGY: 1137800 4075.3333 20510.7285 14392.6770 247.7001 -203763.7588 2742.7124 0.0000 0.0000 52008.4599 -109786.1477 298.8933 -161794.6076 -109418.0220 299.2251 41.9294 61.0252 760202.7722 3.1919 3.1760 PRESSURE: 1138000 363.87 188.071 -30.5952 188.07 61.1056 -0.0489471 -30.5956 -0.049108 -91.9761 GPRESSURE: 1138000 331.051 239.583 -8.96705 124.101 141.036 6.09404 -95.83 -5.0735 -53.1065 PRESSAVG: 1138000 18.9075 3.64202 38.7729 3.64202 -3.32196 -32.674 38.7728 -32.6741 -9.95685 GPRESSAVG: 1138000 17.9295 2.96932 40.6845 1.29912 -3.80344 -34.2751 35.8455 -31.8011 -9.35518 TIMING: 1138000 CPU: 3584.86, 0.0031518/step Wall: 3584.86, 0.0031518/step, 3.38118 hours remaining, 237.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1138000 3979.5473 20490.6918 14402.4245 242.4966 -203540.0604 2471.9982 0.0000 0.0000 52052.9780 -109899.9242 299.1492 -161952.9021 -109547.5082 298.7981 110.9998 139.6601 759450.2022 1.8762 1.5903 PRESSURE: 1138200 64.9088 140.742 -237.829 140.742 -155.045 75.5135 -237.828 75.5145 -70.1705 GPRESSURE: 1138200 150.218 166.847 -243.016 68.4291 -175.627 128.548 -118.783 -32.0173 -57.3833 PRESSAVG: 1138200 12.8875 -25.2764 -5.53777 -25.2764 -23.1654 -14.0055 -5.53781 -14.0054 -6.45346 GPRESSAVG: 1138200 11.8827 -24.0265 -7.82839 -24.1704 -21.4477 -14.0504 -2.22822 -13.9056 -7.05693 TIMING: 1138200 CPU: 3585.49, 0.00315572/step Wall: 3585.49, 0.00315572/step, 3.38521 hours remaining, 237.296875 MB of memory in use. ENERGY: 1138200 4022.3619 20673.9918 14458.8699 253.8510 -203338.8016 2359.5580 0.0000 0.0000 51760.3928 -109809.7761 297.4677 -161570.1690 -109459.1817 298.6867 -53.4354 -27.5976 760557.0368 -5.5771 -5.5406 PRESSURE: 1138400 137.374 172.638 50.3476 172.638 49.282 0.581971 50.3471 0.58161 -501.811 GPRESSURE: 1138400 121.247 84.4308 104.383 168.007 80.8012 -88.8695 -81.9284 46.6017 -439.639 PRESSAVG: 1138400 -24.3356 -30.6498 -25.1916 -30.6498 26.2638 16.5928 -25.1916 16.5929 -16.6644 GPRESSAVG: 1138400 -22.8717 -31.4487 -22.9951 -30.9138 24.8619 17.6853 -28.1551 16.8967 -16.1451 TIMING: 1138400 CPU: 3586.12, 0.00316008/step Wall: 3586.12, 0.00316008/step, 3.38972 hours remaining, 237.296875 MB of memory in use. ENERGY: 1138400 3980.4318 20530.3126 14534.8530 255.5039 -203377.1313 2567.4919 0.0000 0.0000 51966.9311 -109541.6069 298.6547 -161508.5381 -109176.3943 299.1640 -105.0519 -79.1967 761453.8045 -4.9120 -4.7183 PRESSURE: 1138600 34.5807 -424 81.5423 -423.999 -84.7831 -25.873 81.5433 -25.8738 -209.782 GPRESSURE: 1138600 38.5512 -347.877 168.34 -351.092 -41.116 31.9707 25.039 -75.6805 -196.584 PRESSAVG: 1138600 -5.34875 -57.7474 37.0326 -57.7473 20.0465 -71.1035 37.0326 -71.1035 31.9314 GPRESSAVG: 1138600 -6.17967 -56.1854 35.5734 -58.3013 21.2862 -72.7825 39.2008 -70.6084 31.4009 TIMING: 1138600 CPU: 3586.76, 0.0031739/step Wall: 3586.76, 0.0031739/step, 3.40436 hours remaining, 237.296875 MB of memory in use. ENERGY: 1138600 3999.9237 20586.8706 14448.6770 263.8407 -203403.6777 2406.9188 0.0000 0.0000 52051.1420 -109646.3049 299.1386 -161697.4469 -109294.1349 299.6042 -86.6614 -66.3829 760051.6091 15.5430 15.5025 PRESSURE: 1138800 -274.86 -101.202 90.9501 -101.203 136.752 -87.746 90.9508 -87.7472 -199.47 GPRESSURE: 1138800 -174.164 -99.8336 32.5058 -101.194 54.317 -46.2164 45.1203 -128.913 -134.659 PRESSAVG: 1138800 -44.1704 -70.9141 6.62518 -70.9141 55.2949 7.66683 6.62522 7.66682 7.60866 GPRESSAVG: 1138800 -44.7379 -71.5703 6.36673 -69.9774 55.3557 8.91837 6.26009 6.8185 8.19895 TIMING: 1138800 CPU: 3587.39, 0.00315764/step Wall: 3587.39, 0.00315764/step, 3.38674 hours remaining, 237.296875 MB of memory in use. ENERGY: 1138800 3932.8254 20379.7488 14498.5143 247.7957 -203505.5124 2502.3143 0.0000 0.0000 52228.1891 -109716.1247 300.1561 -161944.3138 -109345.4277 299.2155 -112.5256 -84.8353 760392.5185 6.2444 6.2723 PRESSURE: 1139000 706.945 164.946 75.6921 164.946 -37.734 114.067 75.6928 114.065 478.969 GPRESSURE: 1139000 685.959 3.29156 0.0772855 181.746 99.2383 141.349 44.1295 131.814 449.132 PRESSAVG: 1139000 -24.4136 -57.3834 -29.3144 -57.3834 0.106346 1.41216 -29.3145 1.41207 6.02399 GPRESSAVG: 1139000 -24.436 -59.6 -29.1436 -56.4205 -0.625285 1.32462 -31.9931 0.850805 5.77028 TIMING: 1139000 CPU: 3588.02, 0.00314067/step Wall: 3588.02, 0.00314067/step, 3.36837 hours remaining, 237.296875 MB of memory in use. ENERGY: 1139000 4042.3674 20345.9308 14415.0896 240.7695 -203919.2783 2788.5946 0.0000 0.0000 52361.2322 -109725.2942 300.9207 -162086.5264 -109351.1900 299.0600 382.7265 411.4430 757943.5026 -6.0944 -6.4303 PRESSURE: 1139200 -409.56 -15.8781 -64.2495 -15.8786 -183.212 76.7152 -64.249 76.7155 -511.66 GPRESSURE: 1139200 -401.682 50.0883 -164.478 23.8045 -192.233 -11.7939 -81.8631 4.10012 -433.259 PRESSAVG: 1139200 -15.3989 -36.3365 -7.20144 -36.3366 17.1035 -1.04331 -7.20149 -1.04329 11.9582 GPRESSAVG: 1139200 -16.4343 -32.3449 -7.14281 -37.04 17.8492 -0.972952 -6.20584 0.656007 11.7075 TIMING: 1139200 CPU: 3588.65, 0.00315095/step Wall: 3588.65, 0.00315095/step, 3.37922 hours remaining, 237.296875 MB of memory in use. ENERGY: 1139200 4064.8618 20577.0311 14433.9138 240.1135 -203582.4481 2571.0800 0.0000 0.0000 51833.7123 -109861.7356 297.8891 -161695.4479 -109498.0267 298.7359 -368.1438 -342.3915 761565.5302 4.5543 4.3741 PRESSURE: 1139400 -158.708 -2.99453 -6.43862 -2.99454 -121.957 -7.47817 -6.43931 -7.47962 294.398 GPRESSURE: 1139400 -177.134 17.6107 -15.8353 -112.875 -36.3736 40.6275 35.8496 11.3608 298.284 PRESSAVG: 1139400 -23.3821 -32.821 -48.352 -32.8211 53.9889 9.35686 -48.352 9.35681 19.7102 GPRESSAVG: 1139400 -21.8579 -34.9294 -45.9239 -31.2121 53.3145 10.2715 -47.4356 8.06087 19.363 TIMING: 1139400 CPU: 3589.28, 0.00316447/step Wall: 3589.28, 0.00316447/step, 3.39354 hours remaining, 237.296875 MB of memory in use. ENERGY: 1139400 3970.9296 20649.7672 14381.8571 221.8148 -203615.0892 2722.1617 0.0000 0.0000 51779.5196 -109889.0391 297.5776 -161668.5587 -109533.5653 298.2570 4.5778 28.2587 760724.6158 16.7723 16.9399 PRESSURE: 1139600 -90.2801 -74.2036 46.085 -74.2036 -71.5562 -98.6995 46.0854 -98.7008 24.8501 GPRESSURE: 1139600 -1.7834 -3.43132 61.9929 -2.93529 -61.4754 -15.9399 27.3824 -109.044 9.67303 PRESSAVG: 1139600 -5.97116 -28.3233 -1.75914 -28.3233 -37.5178 2.57876 -1.75904 2.57874 32.2389 GPRESSAVG: 1139600 -4.8406 -28.5608 -2.96887 -30.4531 -37.7373 1.14131 -1.15203 5.05739 31.9586 TIMING: 1139600 CPU: 3589.91, 0.00314597/step Wall: 3589.91, 0.00314597/step, 3.37353 hours remaining, 237.296875 MB of memory in use. ENERGY: 1139600 3986.2102 20535.4610 14463.8739 248.9666 -203123.2844 2292.0930 0.0000 0.0000 51879.5359 -109717.1438 298.1524 -161596.6797 -109359.1609 298.9037 -45.6621 -17.8619 760078.0141 -3.7500 -3.5398 PRESSURE: 1139800 -47.0443 112.65 28.8316 112.65 560.38 160.394 28.8319 160.393 204.213 GPRESSURE: 1139800 -30.3784 61.1217 20.7856 137.164 520.372 152.054 129.71 97.1203 320.806 PRESSAVG: 1139800 -19.673 4.92164 -29.6392 4.92169 57.6749 -12.7271 -29.6392 -12.7272 4.12458 GPRESSAVG: 1139800 -20.8359 2.237 -29.5381 6.64332 57.3204 -13.2846 -29.8202 -11.849 5.33264 TIMING: 1139800 CPU: 3590.54, 0.0031414/step Wall: 3590.54, 0.0031414/step, 3.36845 hours remaining, 237.296875 MB of memory in use. ENERGY: 1139800 4002.1703 20583.8078 14404.6679 245.8135 -203730.6137 2732.0130 0.0000 0.0000 52038.5290 -109723.6123 299.0661 -161762.1412 -109364.2342 298.9149 239.1827 270.2666 758075.9278 14.0422 13.9390 PRESSURE: 1140000 -184.059 -33.249 79.8735 -33.2501 154.458 -178.87 79.8723 -178.87 -193.804 GPRESSURE: 1140000 -57.5243 -90.4811 143.829 -68.5737 151.209 -228.059 111 -190.57 -229.289 PRESSAVG: 1140000 -60.2749 -68.4801 -30.4102 -68.4801 52.3408 -7.3414 -30.4103 -7.3414 6.37728 GPRESSAVG: 1140000 -59.0662 -65.4143 -30.7098 -69.9281 52.283 -4.42039 -30.9581 -10.3896 4.93696 TIMING: 1140000 CPU: 3591.18, 0.00317568/step Wall: 3591.18, 0.00317568/step, 3.40503 hours remaining, 237.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1140000 3982.3093 20633.0814 14454.5690 243.8499 -203476.8254 2499.2488 0.0000 0.0000 51956.5003 -109707.2665 298.5947 -161663.7669 -109354.7659 299.0411 -74.4684 -45.2015 759753.1871 -0.5189 -0.6154 PRESSURE: 1140200 176.119 -20.4018 -3.4103 -20.4018 46.0398 30.3166 -3.40961 30.3168 -316.85 GPRESSURE: 1140200 216.846 -122.886 -44.7475 -129.554 82.9138 6.69605 35.2315 -35.2127 -321.368 PRESSAVG: 1140200 -35.0786 -51.809 -59.6574 -51.809 38.0748 -16.8722 -59.6574 -16.8722 7.05557 GPRESSAVG: 1140200 -36.4823 -53.5691 -59.7015 -53.0963 37.4551 -19.5009 -58.3289 -15.0548 8.50877 TIMING: 1140200 CPU: 3591.81, 0.00316724/step Wall: 3591.81, 0.00316724/step, 3.3958 hours remaining, 237.296875 MB of memory in use. ENERGY: 1140200 3944.1512 20558.9051 14469.0193 241.1771 -203222.7451 2482.7530 0.0000 0.0000 51997.3360 -109529.4035 298.8294 -161526.7395 -109179.4733 299.0434 -31.5637 -7.2029 761403.0791 3.3506 3.1605 LDB: ============= START OF LOAD BALANCING ============== 3604.21 LDB: ============== END OF LOAD BALANCING =============== 3604.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3604.21 LDB: ============= START OF LOAD BALANCING ============== 3604.53 LDB: Largest compute 7077 load 0.033386 is 17.0% of average load 0.195999 LDB: Average compute 0.004372 is 2.2% of average load 0.195999 LDB: TIME 3604.53 LOAD: AVG 0.195999 MAX 0.216997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.148 MB LDB: TIME 3604.53 LOAD: AVG 0.195999 MAX 0.216997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.355 MB LDB: TIME 3604.53 LOAD: AVG 0.195999 MAX 0.216997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.355 MB LDB: ============== END OF LOAD BALANCING =============== 3604.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3604.54 PRESSURE: 1140400 115.085 128.394 30.0922 128.394 -240.697 34.3243 30.0912 34.3234 -34.9986 GPRESSURE: 1140400 44.6652 214.977 13.4066 52.1053 -58.3764 46.3188 113.993 108.173 -73.4204 PRESSAVG: 1140400 6.88052 -70.9697 -14.6006 -70.9696 -44.6958 -6.65459 -14.6006 -6.6546 -0.287732 GPRESSAVG: 1140400 6.37143 -67.0973 -14.2867 -71.692 -43.7926 -6.18137 -15.1274 -8.51814 -0.207732 TIMING: 1140400 CPU: 3592.46, 0.00323402/step Wall: 3592.46, 0.00323402/step, 3.46723 hours remaining, 237.808594 MB of memory in use. ENERGY: 1140400 4012.5181 20533.1639 14460.9708 272.3546 -203174.0117 2309.5651 0.0000 0.0000 52001.5142 -109583.9250 298.8534 -161585.4392 -109221.3446 299.0928 -53.5369 -29.0439 761622.3102 -12.7010 -12.5430 PRESSURE: 1140600 -174.026 213.86 -137.508 213.859 -241.024 31.6166 -137.507 31.617 -259.958 GPRESSURE: 1140600 -172.34 120.955 -162.53 113.802 -175.193 37.1925 -91.4916 -4.52574 -244.107 PRESSAVG: 1140600 26.8817 -60.5505 -10.4224 -60.5505 -42.4817 -29.9351 -10.4224 -29.9352 -7.19345 GPRESSAVG: 1140600 27.0627 -64.7532 -8.10429 -57.8179 -41.349 -30.148 -13.3812 -28.6346 -8.69734 TIMING: 1140600 CPU: 3593.09, 0.00317067/step Wall: 3593.09, 0.00317067/step, 3.39914 hours remaining, 237.808594 MB of memory in use. ENERGY: 1140600 4031.5311 20391.7765 14420.9321 244.5884 -203005.8458 2269.7044 0.0000 0.0000 52193.6160 -109453.6974 299.9574 -161647.3134 -109079.7342 299.3062 -225.0026 -197.2133 762786.6685 -7.5978 -7.6612 PRESSURE: 1140800 -94.0008 31.5266 53.8692 31.5275 -91.3749 171.321 53.8684 171.32 -422.2 GPRESSURE: 1140800 -109.241 34.3932 -27.635 63.3648 -53.2109 205.218 105.884 183.353 -370.274 PRESSAVG: 1140800 37.5555 -28.1427 26.3486 -28.1427 29.1504 22.017 26.3486 22.0171 -7.79212 GPRESSAVG: 1140800 36.8614 -27.0394 25.1052 -30.5687 28.5792 22.8883 28.9692 20.4144 -6.09259 TIMING: 1140800 CPU: 3593.73, 0.00318613/step Wall: 3593.73, 0.00318612/step, 3.41553 hours remaining, 237.808594 MB of memory in use. ENERGY: 1140800 4027.1880 20602.3355 14495.0772 230.4332 -202898.5655 2215.1080 0.0000 0.0000 51935.3221 -109393.1014 298.4730 -161328.4235 -109040.1301 299.1065 -202.5253 -177.5752 761853.4531 19.6379 19.7827 PRESSURE: 1141000 238.973 126.409 -221.655 126.409 175.494 -19.3193 -221.655 -19.319 -167.62 GPRESSURE: 1141000 289.251 45.4242 -240.824 143.255 190.956 -48.4516 -136.227 211.7 -160.357 PRESSAVG: 1141000 29.6394 -37.0391 3.63586 -37.039 -22.3142 17.9005 3.63586 17.9006 15.1752 GPRESSAVG: 1141000 31.7071 -36.3829 0.813128 -38.1464 -24.1673 16.4131 5.50881 21.548 14.4036 TIMING: 1141000 CPU: 3594.36, 0.00315851/step Wall: 3594.36, 0.00315851/step, 3.38575 hours remaining, 237.808594 MB of memory in use. ENERGY: 1141000 3973.6610 20691.3258 14433.7188 243.5171 -203338.1566 2491.6015 0.0000 0.0000 52025.3504 -109478.9820 298.9904 -161504.3324 -109118.1386 299.3843 82.2824 106.6166 762119.8683 7.5001 7.3145 PRESSURE: 1141200 -69.7756 -72.7629 77.8674 -72.7641 -52.8359 41.3837 77.8676 41.3839 -275.491 GPRESSURE: 1141200 -40.124 -60.6135 69.4022 -65.8682 -6.32814 8.81185 175.221 23.2054 -242.996 PRESSAVG: 1141200 36.9862 -37.6747 6.50486 -37.6746 -70.1342 -5.84104 6.50488 -5.84097 10.4907 GPRESSAVG: 1141200 36.3762 -36.3915 7.83923 -34.9614 -69.4165 -4.05597 3.83482 -7.46699 10.8496 TIMING: 1141200 CPU: 3594.99, 0.0031699/step Wall: 3594.99, 0.0031699/step, 3.39778 hours remaining, 237.808594 MB of memory in use. ENERGY: 1141200 4065.5003 20671.4003 14410.9829 253.2928 -203687.1380 2911.9880 0.0000 0.0000 51920.6114 -109453.3623 298.3885 -161373.9738 -109098.6845 299.4005 -132.7008 -96.4827 762978.9862 -7.5524 -7.3969 PRESSURE: 1141400 198.787 -40.6919 146.205 -40.6911 -218.9 9.79902 146.205 9.79834 335.132 GPRESSURE: 1141400 320.697 8.77596 -15.477 -124.063 -208.128 -78.1591 147.519 125.263 287.784 PRESSAVG: 1141400 20.7717 -2.29597 37.5665 -2.296 -31.2078 30.4021 37.5665 30.402 -0.426812 GPRESSAVG: 1141400 20.244 -2.06222 36.2838 -5.05409 -30.0632 28.4537 39.0537 30.1835 -0.416125 TIMING: 1141400 CPU: 3595.62, 0.00316264/step Wall: 3595.62, 0.00316264/step, 3.38982 hours remaining, 237.808594 MB of memory in use. ENERGY: 1141400 3891.4536 20680.1877 14412.1547 240.5033 -203210.9564 2498.1837 0.0000 0.0000 52175.3060 -109313.1674 299.8522 -161488.4733 -108947.3628 299.4955 105.0064 133.4510 763238.6003 -3.6210 -3.4118 PRESSURE: 1141600 -252.936 74.8926 96.7183 74.8934 -241.672 119.554 96.7191 119.553 107.232 GPRESSURE: 1141600 -288.32 149.31 23.5908 -39.5476 -232.953 77.5993 -34.2755 175.023 228.614 PRESSAVG: 1141600 47.52 -14.8302 -37.4022 -14.8301 -74.5035 -14.2657 -37.4022 -14.2657 0.719134 GPRESSAVG: 1141600 47.1315 -13.9529 -37.0203 -14.5486 -74.3389 -13.1732 -37.9388 -14.7851 0.662231 TIMING: 1141600 CPU: 3596.25, 0.00314875/step Wall: 3596.25, 0.00314875/step, 3.37476 hours remaining, 237.808594 MB of memory in use. ENERGY: 1141600 4053.4844 20589.3528 14445.7069 236.2866 -203297.5067 2425.9718 0.0000 0.0000 52200.8613 -109345.8430 299.9991 -161546.7043 -108991.1585 299.5564 -129.1252 -97.5529 763953.8002 -8.7548 -8.8484 PRESSURE: 1141800 -1.3052 -255.008 -194.139 -255.008 -152.557 80.0935 -194.139 80.0931 137.337 GPRESSURE: 1141800 121.769 -177 -163.495 -175.071 -156.07 62.5416 -85.1294 111.559 107.967 PRESSAVG: 1141800 -8.98984 -38.5706 -53.8228 -38.5706 17.978 -9.2592 -53.8228 -9.25921 0.272356 GPRESSAVG: 1141800 -8.67957 -39.2936 -51.0664 -38.4236 18.4342 -9.51632 -55.5867 -8.82452 -0.786244 TIMING: 1141800 CPU: 3596.89, 0.00315368/step Wall: 3596.89, 0.00315368/step, 3.37986 hours remaining, 237.808594 MB of memory in use. ENERGY: 1141800 3914.1855 20484.6150 14511.3033 222.8358 -203675.1956 2662.1089 0.0000 0.0000 52119.7490 -109760.3980 299.5329 -161880.1470 -109388.2311 298.9577 -5.5083 24.5553 761987.8709 3.0868 2.9895 PRESSURE: 1142000 68.4175 -55.2441 188.423 -55.2438 -230.931 -203.996 188.423 -203.996 -40.6273 GPRESSURE: 1142000 113.451 -95.4941 216.109 -104.352 -124.272 -181.227 144.178 -190.757 -79.3076 PRESSAVG: 1142000 23.4434 -62.6498 -32.8096 -62.6498 8.65373 -13.8393 -32.8097 -13.8393 -19.7259 GPRESSAVG: 1142000 23.3833 -62.8701 -32.7406 -59.5164 8.50237 -14.3337 -31.6119 -12.9994 -19.236 TIMING: 1142000 CPU: 3597.52, 0.00316251/step Wall: 3597.52, 0.00316251/step, 3.38916 hours remaining, 237.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1142000 3938.0239 20462.7963 14465.4896 240.4212 -202976.8232 2520.8173 0.0000 0.0000 52019.7868 -109329.4881 298.9584 -161349.2749 -108966.8214 299.1879 -67.7135 -30.0427 761893.9798 4.1238 4.2166 PRESSURE: 1142200 -118.855 71.3357 25.4405 71.3365 -101.976 -137.058 25.4408 -137.058 -175.239 GPRESSURE: 1142200 -100.837 -3.59309 19.1758 131.657 -23.6848 -162.629 16.4774 -88.9269 -198.379 PRESSAVG: 1142200 -16.0096 -18.8996 -8.5064 -18.8996 -16.9704 -25.5277 -8.50639 -25.5277 -2.97009 GPRESSAVG: 1142200 -15.9947 -19.9663 -10.9873 -20.2545 -17.4631 -23.1264 -8.40429 -26.9999 -2.38886 TIMING: 1142200 CPU: 3598.15, 0.0031653/step Wall: 3598.15, 0.0031653/step, 3.39197 hours remaining, 237.808594 MB of memory in use. ENERGY: 1142200 4041.2403 20565.9383 14515.1155 256.5009 -202964.0000 2376.7658 0.0000 0.0000 52220.9413 -108987.4979 300.1145 -161208.4393 -108621.1554 299.7861 -132.0233 -107.6336 762613.4713 -11.9834 -11.9489 PRESSURE: 1142400 362.52 12.7942 -55.2504 12.7932 128.761 75.1303 -55.2499 75.1306 -7.44356 GPRESSURE: 1142400 292.264 -47.1399 -81.568 28.3461 225.568 51.2738 -0.955359 88.4499 58.6813 PRESSAVG: 1142400 -16.2358 -22.5448 24.6891 -22.5448 61.5067 -31.4713 24.6891 -31.4712 23.8146 GPRESSAVG: 1142400 -17.0047 -23.3719 24.1032 -24.4454 61.7059 -31.8659 24.6798 -31.7273 24.2528 TIMING: 1142400 CPU: 3598.79, 0.00317532/step Wall: 3598.79, 0.00317532/step, 3.40253 hours remaining, 237.808594 MB of memory in use. ENERGY: 1142400 3996.3701 20401.5467 14628.5854 248.8718 -203204.8276 2657.6375 0.0000 0.0000 52408.7613 -108863.0548 301.1939 -161271.8161 -108499.1304 300.5332 161.2790 192.1709 762499.4287 23.0285 22.9847 PRESSURE: 1142600 348.381 8.11696 -112.683 8.11739 -7.30517 152.248 -112.682 152.249 -14.5925 GPRESSURE: 1142600 400.229 51.8883 -131.674 -66.8201 30.8533 50.103 -141.708 170.391 -11.7899 PRESSAVG: 1142600 -21.497 19.109 -9.51659 19.109 27.4082 4.74915 -9.51659 4.74914 -11.2595 GPRESSAVG: 1142600 -21.0212 19.566 -9.03391 20.5101 27.3362 4.72889 -9.37517 6.97395 -11.5925 TIMING: 1142600 CPU: 3599.42, 0.00316464/step Wall: 3599.42, 0.00316464/step, 3.39091 hours remaining, 237.808594 MB of memory in use. ENERGY: 1142600 4013.2883 20451.1673 14588.1443 238.1177 -203344.1346 2691.6943 0.0000 0.0000 52301.3912 -109060.3314 300.5768 -161361.7226 -108699.3908 300.4440 108.8279 139.7640 760714.5503 -1.7828 -1.7592 PRESSURE: 1142800 242.888 -321.831 439.284 -321.831 35.7317 -85.378 439.285 -85.3782 -440.722 GPRESSURE: 1142800 227.567 -280.702 350.4 -179.146 114.247 -65.8609 391.621 -7.27622 -390.167 PRESSAVG: 1142800 -52.7027 -21.8956 11.9641 -21.8956 65.5524 -47.7083 11.964 -47.7083 -11.3067 GPRESSAVG: 1142800 -51.4804 -21.2081 12.6241 -22.9865 64.6738 -46.9344 11.6007 -50.6728 -12.0054 TIMING: 1142800 CPU: 3600.05, 0.00316861/step Wall: 3600.05, 0.00316861/step, 3.39498 hours remaining, 237.808594 MB of memory in use. ENERGY: 1142800 3935.9360 20517.7665 14478.1379 263.4423 -203141.6844 2534.5375 0.0000 0.0000 52033.9402 -109377.9240 299.0398 -161411.8643 -109013.6988 300.0584 -54.0340 -16.1176 762476.4389 0.5143 0.3960 PRESSURE: 1143000 -201.083 -127.706 -155.616 -127.705 24.9126 97.305 -155.616 97.3044 -142.268 GPRESSURE: 1143000 -161.953 -101.066 -91.6859 -93.4187 96.5331 135.898 -219.212 16.4095 -169.129 PRESSAVG: 1143000 -55.394 -42.2688 41.6529 -42.2689 72.8393 27.1413 41.6529 27.1413 11.7854 GPRESSAVG: 1143000 -57.7499 -40.7501 42.4286 -42.3496 74.7083 26.6309 40.864 28.2954 12.2504 TIMING: 1143000 CPU: 3600.69, 0.00316992/step Wall: 3600.69, 0.00316992/step, 3.39621 hours remaining, 237.808594 MB of memory in use. ENERGY: 1143000 3948.8382 20571.7072 14487.3651 246.8314 -203141.6871 2515.8482 0.0000 0.0000 52004.7721 -109366.3249 298.8721 -161371.0970 -109013.8893 299.2082 -106.1463 -78.1830 763961.7477 9.7436 9.7363 PRESSURE: 1143200 -58.4849 -86.1455 -3.49431 -86.1451 -182.235 -280.844 -3.49409 -280.844 -587.457 GPRESSURE: 1143200 -30.7213 -37.3001 -68.1285 -20.2673 -156.23 -331.694 123.047 -182.456 -556.172 PRESSAVG: 1143200 -44.8144 -32.1507 -39.2704 -32.1507 65.1505 17.8408 -39.2704 17.8408 -12.2683 GPRESSAVG: 1143200 -42.4829 -33.3844 -41.7455 -30.5291 63.3381 18.3401 -34.6199 18.4617 -12.4483 TIMING: 1143200 CPU: 3601.32, 0.00316382/step Wall: 3601.32, 0.00316382/step, 3.38951 hours remaining, 237.808594 MB of memory in use. ENERGY: 1143200 4042.2303 20405.3398 14476.8205 245.8020 -203188.8999 2526.4461 0.0000 0.0000 52154.2782 -109337.9830 299.7314 -161492.2612 -108977.4451 299.4372 -276.0590 -247.7078 762932.5466 2.6893 2.8023 PRESSURE: 1143400 -109.439 412.528 -291.439 412.528 195.477 227.509 -291.439 227.51 -61.5875 GPRESSURE: 1143400 -81.5983 269.428 -290.912 318.451 219.147 139.425 -219.195 194.286 -44.0669 PRESSAVG: 1143400 -52.3823 -28.2051 5.68601 -28.2051 38.1821 54.2441 5.68599 54.2441 0.358271 GPRESSAVG: 1143400 -53.8964 -30.3496 5.23099 -28.9337 38.6554 53.5359 2.86716 53.9465 0.928098 TIMING: 1143400 CPU: 3601.95, 0.003151/step Wall: 3601.95, 0.003151/step, 3.3756 hours remaining, 237.808594 MB of memory in use. ENERGY: 1143400 3977.7369 20576.2685 14455.1840 256.0337 -203409.1165 2503.1972 0.0000 0.0000 52185.2129 -109455.4833 299.9091 -161640.6962 -109097.7782 299.3685 8.1504 31.1607 762736.3663 -4.6140 -4.7710 PRESSURE: 1143600 -363.099 50.9584 144.927 50.9592 -62.713 41.5474 144.927 41.5482 -17.837 GPRESSURE: 1143600 -343.947 21.2516 113.704 75.923 -21.118 27.2621 -24.5152 92.0237 -14.4587 PRESSAVG: 1143600 -61.8562 6.97382 -17.5616 6.97377 124.083 12.506 -17.5616 12.506 15.7277 GPRESSAVG: 1143600 -61.4319 8.41488 -15.5305 5.92096 124.298 11.6464 -19.9058 12.9002 15.4119 TIMING: 1143600 CPU: 3602.58, 0.00315363/step Wall: 3602.58, 0.00315363/step, 3.37823 hours remaining, 237.808594 MB of memory in use. ENERGY: 1143600 4044.0017 20491.8904 14484.9968 258.6010 -203131.8477 2522.4540 0.0000 0.0000 51950.5353 -109379.3684 298.5604 -161329.9037 -109021.7321 299.6122 -147.8830 -126.5079 763239.1701 25.9849 26.0927 PRESSURE: 1143800 -163.75 3.79195 -187.593 3.79199 -123.33 86.1509 -187.593 86.1509 -388.937 GPRESSURE: 1143800 -106.01 11.2649 -202.505 -19.4912 -162.205 172.946 -99.0019 -12.0073 -301.273 PRESSAVG: 1143800 -48.6375 13.7149 -8.49789 13.7149 53.8808 -9.95266 -8.49789 -9.95263 16.5589 GPRESSAVG: 1143800 -48.0559 14.2468 -7.93929 13.6399 52.9164 -8.3262 -7.07689 -11.6438 16.4056 TIMING: 1143800 CPU: 3603.21, 0.00316174/step Wall: 3603.21, 0.00316174/step, 3.38675 hours remaining, 237.808594 MB of memory in use. ENERGY: 1143800 3984.5747 20358.4544 14497.4637 261.1451 -203454.9013 2739.1911 0.0000 0.0000 52161.0337 -109453.0385 299.7702 -161614.0723 -109070.2739 299.3389 -225.3387 -189.8292 762586.3515 7.2674 7.0887 PRESSURE: 1144000 0.0464345 77.2366 -24.7833 77.2379 -84.2142 59.5596 -24.7835 59.5598 -17.6687 GPRESSURE: 1144000 -57.8952 170.673 -78.0754 129.095 37.5393 60.4947 59.4513 -15.2011 4.11231 PRESSAVG: 1144000 -45.2481 -24.6098 -3.79319 -24.6099 73.5407 16.6603 -3.79314 16.6603 16.3165 GPRESSAVG: 1144000 -46.7156 -25.3947 -2.22428 -24.1517 75.1055 16.3014 -5.75096 15.8474 15.7414 TIMING: 1144000 CPU: 3603.84, 0.00316075/step Wall: 3603.84, 0.00316075/step, 3.38551 hours remaining, 237.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1144000 4039.3563 20365.9263 14479.4271 248.1832 -203464.1909 2645.6130 0.0000 0.0000 52188.3286 -109497.3565 299.9270 -161685.6850 -109128.6988 299.6127 -33.9455 -5.4145 761802.2905 14.8697 14.7105 PRESSURE: 1144200 42.3864 222.232 -53.7685 222.231 -175.3 -222.053 -53.7686 -222.053 374.1 GPRESSURE: 1144200 86.0952 292.802 -69.1984 201.049 -42.3904 -160.809 73.8516 -149.025 314.6 PRESSAVG: 1144200 -94.6681 -0.792045 27.5586 -0.792061 51.277 46.5035 27.5586 46.5035 15.4013 GPRESSAVG: 1144200 -94.9659 0.465254 26.3687 -0.993676 51.6342 46.1581 30.0827 47.7754 15.4696 TIMING: 1144200 CPU: 3604.47, 0.00315114/step Wall: 3604.47, 0.00315114/step, 3.37505 hours remaining, 237.808594 MB of memory in use. ENERGY: 1144200 3995.8239 20342.9073 14428.0744 238.7948 -203570.8046 2847.2355 0.0000 0.0000 51973.7246 -109744.2440 298.6937 -161717.9686 -109387.4479 298.9351 80.3955 119.4348 761379.9307 -9.3299 -9.2874 LDB: ============= START OF LOAD BALANCING ============== 3616.87 LDB: ============== END OF LOAD BALANCING =============== 3616.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3616.88 LDB: ============= START OF LOAD BALANCING ============== 3617.19 LDB: Largest compute 7035 load 0.034285 is 17.5% of average load 0.195898 LDB: Average compute 0.004367 is 2.2% of average load 0.195898 LDB: TIME 3617.2 LOAD: AVG 0.195898 MAX 0.216302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.578 MB LDB: TIME 3617.2 LOAD: AVG 0.195898 MAX 0.216302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.781 MB LDB: TIME 3617.2 LOAD: AVG 0.195898 MAX 0.216302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.781 MB LDB: ============== END OF LOAD BALANCING =============== 3617.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3617.21 PRESSURE: 1144400 172.038 -161.335 -122.715 -161.334 132.72 -67.0732 -122.714 -67.0729 -90.5815 GPRESSURE: 1144400 227.396 -61.1662 -85.6025 -82.618 48.1144 -59.5997 -181.022 -17.5342 3.07784 PRESSAVG: 1144400 0.420568 -10.2794 28.0446 -10.2794 16.6118 9.86482 28.0446 9.86485 21.4316 GPRESSAVG: 1144400 1.06191 -8.72547 27.7548 -11.4918 15.2195 10.7144 25.4102 12.053 22.3298 TIMING: 1144400 CPU: 3605.12, 0.00323926/step Wall: 3605.12, 0.00323926/step, 3.46925 hours remaining, 237.808594 MB of memory in use. ENERGY: 1144400 4011.9313 20415.6795 14419.9572 233.5177 -203157.6654 2368.5438 0.0000 0.0000 51997.1950 -109710.8409 298.8286 -161708.0359 -109356.9769 299.2028 71.3921 92.8627 761318.9616 12.8213 12.8704 PRESSURE: 1144600 85.0638 307.022 -169.489 307.022 11.9402 -24.224 -169.488 -24.224 -344.294 GPRESSURE: 1144600 37.7309 286.782 -138.847 225.376 72.0216 17.8592 -138.72 25.7338 -271.344 PRESSAVG: 1144600 20.5597 12.6156 -18.9456 12.6155 41.9656 -34.5001 -18.9457 -34.5002 12.7323 GPRESSAVG: 1144600 20.0783 12.2982 -19.0529 15.0407 42.0865 -35.1932 -17.0286 -34.745 13.0494 TIMING: 1144600 CPU: 3605.76, 0.00317654/step Wall: 3605.76, 0.00317654/step, 3.4019 hours remaining, 237.808594 MB of memory in use. ENERGY: 1144600 4031.1801 20567.8297 14427.8692 251.2812 -202903.3932 2140.0145 0.0000 0.0000 51702.1640 -109783.0544 297.1330 -161485.2184 -109424.5682 298.8663 -82.4299 -53.8640 761628.6516 25.0859 25.0714 PRESSURE: 1144800 -68.1617 -258.366 179.08 -258.366 -157.35 255.574 179.08 255.574 -277.667 GPRESSURE: 1144800 -13.1015 -135.176 145.665 -368.709 -54.9622 219.367 140.529 89.1224 -351.957 PRESSAVG: 1144800 -15.8949 -19.7159 -7.57631 -19.716 23.0264 -8.79355 -7.57634 -8.79356 1.98066 GPRESSAVG: 1144800 -14.6454 -21.2037 -7.10247 -21.4112 23.1015 -10.0069 -7.02165 -9.62931 0.63745 TIMING: 1144800 CPU: 3606.39, 0.00317014/step Wall: 3606.39, 0.00317014/step, 3.39487 hours remaining, 237.808594 MB of memory in use. ENERGY: 1144800 4005.9484 20461.9839 14457.0349 230.6122 -203773.9825 2567.2354 0.0000 0.0000 52102.2343 -109948.9334 299.4323 -162051.1677 -109584.9915 298.8491 -167.7261 -140.0068 761799.2845 3.0374 3.0312 PRESSURE: 1145000 -259.454 -131.583 50.5836 -131.584 -49.3692 -10.1485 50.5839 -10.1485 149.737 GPRESSURE: 1145000 -211.542 -96.3349 103.488 -165.469 22.6385 -20.6923 17.1187 51.1078 105.115 PRESSAVG: 1145000 2.79353 -42.4925 -14.15 -42.4925 -8.13674 -46.078 -14.1499 -46.078 -10.378 GPRESSAVG: 1145000 2.83159 -41.8175 -12.7621 -41.6202 -8.88839 -45.3053 -16.5173 -45.2525 -10.3751 TIMING: 1145000 CPU: 3607.02, 0.00315603/step Wall: 3607.02, 0.00315603/step, 3.37958 hours remaining, 237.808594 MB of memory in use. ENERGY: 1145000 3948.0564 20539.1196 14401.9049 246.8590 -203681.5564 2437.5295 0.0000 0.0000 51921.3211 -110186.7660 298.3925 -162108.0871 -109826.2442 298.5479 -53.0287 -27.9297 761291.7265 -5.2404 -5.4773 PRESSURE: 1145200 79.7148 184.097 -96.4601 184.096 -397.306 187.498 -96.4596 187.498 -518.384 GPRESSURE: 1145200 72.5138 117.812 -58.672 200.036 -358.073 248.196 -26.1159 -13.364 -478.243 PRESSAVG: 1145200 -5.77754 13.0467 -17.1905 13.0466 -6.88458 -3.16862 -17.1905 -3.16857 43.8379 GPRESSAVG: 1145200 -6.88447 12.0148 -18.9798 12.7105 -6.7843 -2.42125 -15.4111 -7.25177 44.6582 TIMING: 1145200 CPU: 3607.66, 0.00317383/step Wall: 3607.66, 0.00317383/step, 3.39846 hours remaining, 237.808594 MB of memory in use. ENERGY: 1145200 3936.9155 20743.4647 14432.9463 252.9599 -203527.2660 2235.2351 0.0000 0.0000 51796.9019 -110128.8426 297.6775 -161925.7446 -109768.6001 298.1855 -278.6583 -254.6007 760138.4053 10.3919 10.3298 PRESSURE: 1145400 -523.701 -0.34491 -16.1345 -0.344726 208.096 9.87396 -16.1353 9.87369 -88.8876 GPRESSURE: 1145400 -409.102 -0.854803 -15.4496 -69.2633 161.702 -48.9301 124.35 -3.37252 -57.5738 PRESSAVG: 1145400 -68.6496 -31.1021 26.5047 -31.1022 50.9533 -2.83349 26.5048 -2.83349 0.890097 GPRESSAVG: 1145400 -68.2427 -32.3633 28.5028 -31.4459 50.9508 -4.61166 25.5573 0.615049 0.586181 TIMING: 1145400 CPU: 3608.29, 0.00315274/step Wall: 3608.29, 0.00315274/step, 3.37571 hours remaining, 237.808594 MB of memory in use. ENERGY: 1145400 4010.6675 20497.4094 14374.2787 242.8937 -203598.0725 2321.6868 0.0000 0.0000 52063.5727 -110087.5637 299.2101 -162151.1364 -109718.1607 297.9121 -134.8308 -101.6576 760257.0292 -5.6021 -5.5686 PRESSURE: 1145600 319.47 -0.492041 33.6225 -0.492169 292.031 63.5265 33.6225 63.5269 279.423 GPRESSURE: 1145600 254.35 32.3875 16.4765 -58.2345 348.701 2.86259 -6.128 40.8478 352.111 PRESSAVG: 1145600 -37.6755 11.2556 -3.38141 11.2555 51.7548 45.8297 -3.3814 45.8297 -23.6094 GPRESSAVG: 1145600 -37.7674 11.6897 -5.52896 12.5087 52.3406 48.4474 -2.92148 43.8461 -24.1539 TIMING: 1145600 CPU: 3608.92, 0.00313811/step Wall: 3608.92, 0.00313811/step, 3.35987 hours remaining, 237.808594 MB of memory in use. ENERGY: 1145600 4035.1435 20382.0313 14486.5709 232.1420 -203709.4925 2679.7059 0.0000 0.0000 51925.9937 -109967.9051 298.4194 -161893.8988 -109611.5789 298.5039 296.9748 318.3872 761011.5863 -3.1767 -3.1936 PRESSURE: 1145800 147.701 25.5609 -101.778 25.56 -34.5775 51.1701 -101.778 51.1712 -461.263 GPRESSURE: 1145800 209.423 26.5241 -138.413 -37.9221 -79.6815 68.9154 -120.392 -230.616 -376.267 PRESSAVG: 1145800 -3.55323 11.2929 -51.7623 11.2929 16.626 73.9362 -51.7623 73.9363 -0.385529 GPRESSAVG: 1145800 -3.98501 11.9634 -51.5362 9.30735 15.224 71.7135 -52.1547 76.5943 1.55254 TIMING: 1145800 CPU: 3609.55, 0.00314695/step Wall: 3609.55, 0.00314695/step, 3.36916 hours remaining, 237.808594 MB of memory in use. ENERGY: 1145800 4042.6785 20609.9249 14436.9592 269.3298 -203656.0270 2668.6474 0.0000 0.0000 51757.9617 -109870.5254 297.4537 -161628.4871 -109521.1551 298.6796 -116.0463 -82.1749 758896.4659 4.2291 4.2639 PRESSURE: 1146000 -172.426 190.547 103.578 190.548 2.49101 -47.7215 103.578 -47.7213 -84.6421 GPRESSURE: 1146000 -46.2527 80.1943 45.4682 113.795 4.87494 83.4196 114.29 16.6163 -135.123 PRESSAVG: 1146000 -75.9511 -7.85958 -21.0434 -7.85949 44.4096 15.4462 -21.0434 15.4462 13.6213 GPRESSAVG: 1146000 -74.2207 -9.17762 -21.4238 -9.55541 45.4444 17.9589 -19.7447 12.8747 11.532 TIMING: 1146000 CPU: 3610.17, 0.00313296/step Wall: 3610.17, 0.00313296/step, 3.35401 hours remaining, 237.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1146000 4030.5887 20455.2177 14489.3321 229.8907 -203723.2849 2656.5346 0.0000 0.0000 52039.3743 -109822.3469 299.0710 -161861.7211 -109462.0784 298.9784 -84.8591 -58.8336 759714.3616 -5.9734 -5.7481 PRESSURE: 1146200 283.695 -32.4261 -179.255 -32.4257 126.934 137.854 -179.255 137.854 -152.464 GPRESSURE: 1146200 277.617 19.7489 -161.562 -54.5853 158.44 144.113 -103.348 19.5834 -108.208 PRESSAVG: 1146200 -6.87032 -46.5061 -4.87647 -46.506 11.767 22.8056 -4.87647 22.8056 7.40117 GPRESSAVG: 1146200 -8.06672 -44.927 -2.43226 -44.1024 11.8764 21.146 -5.77528 24.7776 8.34847 TIMING: 1146200 CPU: 3610.8, 0.0031508/step Wall: 3610.8, 0.0031508/step, 3.37293 hours remaining, 237.808594 MB of memory in use. ENERGY: 1146200 3937.5309 20473.5617 14456.5845 250.9105 -203278.6113 2391.4557 0.0000 0.0000 51929.5028 -109839.0652 298.4396 -161768.5680 -109466.3683 298.7961 86.0553 109.2830 761580.3191 4.0993 4.0527 PRESSURE: 1146400 171.016 249.101 -141.1 249.102 -18.016 -79.6393 -141.099 -79.639 215.835 GPRESSURE: 1146400 107.353 190.408 -199.797 157.699 114.764 0.951172 -120.397 -136.971 232.555 PRESSAVG: 1146400 -55.4363 26.0902 -68.2166 26.0902 29.6306 13.1174 -68.2167 13.1174 -3.15936 GPRESSAVG: 1146400 -56.3271 25.3192 -70.2065 26.3949 30.0585 13.3989 -66.445 10.2192 -2.72817 TIMING: 1146400 CPU: 3611.44, 0.00316812/step Wall: 3611.44, 0.00316812/step, 3.39129 hours remaining, 237.808594 MB of memory in use. ENERGY: 1146400 3991.0067 20512.1265 14531.3005 260.9271 -203653.8198 2589.5593 0.0000 0.0000 51974.6995 -109794.2003 298.6993 -161768.8997 -109436.9287 298.6906 122.9450 151.5574 762489.3751 -9.6550 -9.6656 PRESSURE: 1146600 -55.6809 -99.4254 4.16473 -99.4255 370.21 -129.845 4.16442 -129.845 -104.355 GPRESSURE: 1146600 14.2172 -59.675 60.6895 -156.341 334.934 -106.482 -35.8431 -19.1785 -57.0652 PRESSAVG: 1146600 -24.8778 1.81892 1.00519 1.81888 12.8218 -4.64803 1.00519 -4.64794 -5.99246 GPRESSAVG: 1146600 -25.3626 4.67433 0.662662 0.803177 13.8287 -6.13218 -0.409254 -1.86167 -6.53895 TIMING: 1146600 CPU: 3612.07, 0.00315365/step Wall: 3612.07, 0.00315365/step, 3.37563 hours remaining, 237.808594 MB of memory in use. ENERGY: 1146600 3982.2083 20595.0285 14436.3166 243.1088 -203608.7127 2642.3201 0.0000 0.0000 51898.6531 -109811.0773 298.2623 -161709.7304 -109458.9021 298.4235 70.0578 97.3619 762192.6672 -6.0162 -6.0243 PRESSURE: 1146800 -60.4707 193.868 -103.137 193.868 -20.3824 31.5742 -103.136 31.5745 -240.42 GPRESSURE: 1146800 -82.0731 115.1 -66.1684 165.088 18.9877 0.302697 -180.46 27.0372 -178.198 PRESSAVG: 1146800 5.85345 -12.8996 -44.2804 -12.8996 0.104994 2.39424 -44.2804 2.39423 -20.6021 GPRESSAVG: 1146800 8.20031 -14.9752 -42.9802 -14.1519 -1.63204 2.49658 -44.4584 1.52855 -21.2033 TIMING: 1146800 CPU: 3612.7, 0.00315973/step Wall: 3612.7, 0.00315973/step, 3.38196 hours remaining, 237.808594 MB of memory in use. ENERGY: 1146800 3969.1234 20529.5002 14413.8968 254.3178 -203441.6341 2707.4333 0.0000 0.0000 51613.0330 -109954.3295 296.6208 -161567.3625 -109594.7946 298.2893 -107.0909 -80.4278 762359.1798 -4.8812 -4.8783 PRESSURE: 1147000 97.196 -74.7997 -137.731 -74.8011 -3.33574 316.707 -137.732 316.706 -94.1089 GPRESSURE: 1147000 3.75698 -53.624 -67.1127 -83.3174 91.3804 254.511 -199.888 228.143 -1.19862 PRESSAVG: 1147000 4.56858 14.6508 -15.4238 14.6507 34.3922 -11.7467 -15.4238 -11.7467 -8.15143 GPRESSAVG: 1147000 3.48339 14.2052 -17.9591 16.3013 34.0411 -12.295 -15.1788 -12.3201 -6.71982 TIMING: 1147000 CPU: 3613.33, 0.0031666/step Wall: 3613.33, 0.0031666/step, 3.38914 hours remaining, 237.808594 MB of memory in use. ENERGY: 1147000 4073.3868 20535.0103 14416.9365 234.8909 -203703.4058 2637.7696 0.0000 0.0000 51658.6944 -110146.7172 296.8832 -161805.4116 -109790.5634 297.5790 -0.0829 31.3129 760899.5842 10.2698 10.2682 PRESSURE: 1147200 -351.904 121.777 20.4293 121.776 -304.853 -155.086 20.4299 -155.086 -187.702 GPRESSURE: 1147200 -322.994 51.5138 91.1041 142.801 -258.119 -208.065 15.2721 -90.3991 -169.153 PRESSAVG: 1147200 4.63268 21.9233 -6.51276 21.9234 34.0929 21.2216 -6.5127 21.2217 30.1996 GPRESSAVG: 1147200 4.56798 23.5944 -4.10953 20.2511 34.0634 21.5059 -8.68612 21.4555 29.9824 TIMING: 1147200 CPU: 3613.96, 0.00315796/step Wall: 3613.96, 0.00315796/step, 3.37972 hours remaining, 237.808594 MB of memory in use. ENERGY: 1147200 3994.7829 20446.2160 14452.4413 251.8094 -204036.5094 2853.5185 0.0000 0.0000 51891.5646 -110146.1768 298.2215 -162037.7414 -109776.6647 298.2446 -281.4862 -250.0888 761862.0076 22.9751 22.8712 PRESSURE: 1147400 -341.717 -64.8933 42.7322 -64.8929 -189.813 163.754 42.7311 163.754 -230.844 GPRESSURE: 1147400 -378.105 -32.6061 63.4837 -9.49293 -158.176 161.019 68.5405 253.979 -145.455 PRESSAVG: 1147400 -20.6619 -18.8547 53.3324 -18.8547 20.3709 -44.1249 53.3324 -44.125 22.2167 GPRESSAVG: 1147400 -21.7654 -19.746 52.1355 -16.9067 21.8084 -45.6462 53.9736 -42.4011 21.3003 TIMING: 1147400 CPU: 3614.59, 0.00314741/step Wall: 3614.59, 0.00314741/step, 3.36825 hours remaining, 237.808594 MB of memory in use. ENERGY: 1147400 3955.6752 20416.7904 14512.3548 272.5694 -204011.1569 2505.0289 0.0000 0.0000 52081.5571 -110267.1812 299.3134 -162348.7383 -109891.8693 297.9841 -254.1246 -227.2451 759984.1517 7.3086 7.1144 PRESSURE: 1147600 -85.7845 -81.5094 -55.3657 -81.5094 53.9694 51.9107 -55.3654 51.9102 164.781 GPRESSURE: 1147600 -116.978 -83.8472 2.38003 -85.0072 142.11 189.669 -64.7248 49.0683 186.544 PRESSAVG: 1147600 -14.5973 -14.9693 24.9904 -14.9693 26.8934 28.8514 24.9905 28.8514 -3.69981 GPRESSAVG: 1147600 -14.7704 -14.5032 25.8809 -17.5014 26.1826 30.654 25.3479 28.2406 -2.67343 TIMING: 1147600 CPU: 3615.22, 0.00315755/step Wall: 3615.22, 0.00315755/step, 3.37892 hours remaining, 237.808594 MB of memory in use. ENERGY: 1147600 4052.5546 20229.4785 14527.3887 257.8790 -203907.0642 2716.6392 0.0000 0.0000 51760.1941 -110362.9301 297.4665 -162123.1241 -109991.7823 297.9374 44.3219 70.5589 758583.1684 2.8654 2.9129 PRESSURE: 1147800 -213.928 -64.9107 294.827 -64.9109 -209.552 -144.317 294.826 -144.317 -72.0747 GPRESSURE: 1147800 -146.889 14.5093 353.335 -64.05 -210.971 -200.304 290.446 -113.828 -23.5793 PRESSAVG: 1147800 4.42613 -62.0257 -7.18812 -62.0256 -82.5178 68.8431 -7.18806 68.8431 -2.0452 GPRESSAVG: 1147800 5.44894 -61.4581 -7.11268 -61.3626 -82.7462 69.9637 -6.65536 66.5041 -3.02433 TIMING: 1147800 CPU: 3615.86, 0.00317438/step Wall: 3615.86, 0.00317438/step, 3.39676 hours remaining, 237.808594 MB of memory in use. ENERGY: 1147800 4014.6199 20429.0054 14398.0082 255.6887 -203538.4308 2325.2532 0.0000 0.0000 51702.9982 -110412.8574 297.1378 -162115.8555 -110058.5141 297.7809 -165.1850 -127.1467 759945.2476 -26.7123 -26.7739 PRESSURE: 1148000 423.018 362.697 -131.443 362.697 216.825 -59.8207 -131.443 -59.8202 38.7557 GPRESSURE: 1148000 450.27 367.122 -32.3425 238.92 297.952 -65.3352 -47.7444 -111.292 8.64863 PRESSAVG: 1148000 54.6871 4.43565 37.2091 4.43562 -38.0289 -39.6608 37.2091 -39.6608 18.4178 GPRESSAVG: 1148000 55.0241 4.68984 34.9089 3.5229 -37.9579 -41.3756 37.5969 -38.3087 18.5176 TIMING: 1148000 CPU: 3616.49, 0.00315735/step Wall: 3616.49, 0.00315735/step, 3.37837 hours remaining, 237.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1148000 4016.4196 20419.0126 14414.3317 256.2553 -203951.2257 2825.5667 0.0000 0.0000 51616.1064 -110403.5335 296.6385 -162019.6399 -110050.8389 297.0095 226.1996 252.2901 760419.7694 11.6920 11.8613 PRESSURE: 1148200 530.455 231.246 -114.152 231.245 119.136 -40.9654 -114.153 -40.9653 157.577 GPRESSURE: 1148200 425.46 247.374 -42.0564 216.935 203.324 2.34135 -178.821 -23.0756 263.733 PRESSAVG: 1148200 22.9672 -26.9439 86.1547 -26.9439 -27.5122 47.7583 86.1547 47.7583 -8.50403 GPRESSAVG: 1148200 20.8898 -27.2879 86.3315 -25.9355 -27.0645 47.0349 85.2961 48.672 -7.43538 TIMING: 1148200 CPU: 3617.12, 0.00316187/step Wall: 3617.12, 0.00316187/step, 3.38302 hours remaining, 237.808594 MB of memory in use. ENERGY: 1148200 3965.0434 20292.3425 14405.4575 286.8246 -203733.9176 2586.0516 0.0000 0.0000 52019.1264 -110179.0716 298.9546 -162198.1979 -109826.6474 297.5975 269.0557 297.5058 759807.9447 -4.3497 -4.5367 LDB: ============= START OF LOAD BALANCING ============== 3629.52 LDB: ============== END OF LOAD BALANCING =============== 3629.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3629.52 LDB: ============= START OF LOAD BALANCING ============== 3629.84 LDB: Largest compute 7035 load 0.033765 is 17.2% of average load 0.195985 LDB: Average compute 0.004372 is 2.2% of average load 0.195985 LDB: TIME 3629.84 LOAD: AVG 0.195985 MAX 0.2144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.523 MB LDB: TIME 3629.84 LOAD: AVG 0.195985 MAX 0.2144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.523 MB LDB: TIME 3629.84 LOAD: AVG 0.195985 MAX 0.2144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.523 MB LDB: ============== END OF LOAD BALANCING =============== 3629.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3629.85 PRESSURE: 1148400 -431.267 -199.926 -253.263 -199.926 -258.279 44.4868 -253.264 44.4866 -220.515 GPRESSURE: 1148400 -284.345 -144.317 -202.421 -108.378 -236.538 11.6362 -132.55 189.566 -293.744 PRESSAVG: 1148400 5.26865 3.75341 -43.7384 3.7534 -3.91716 -22.1486 -43.7385 -22.1487 7.73643 GPRESSAVG: 1148400 6.79351 4.07257 -43.1152 2.66418 -4.27947 -21.7266 -42.3645 -22.9561 5.97689 TIMING: 1148400 CPU: 3617.77, 0.00323134/step Wall: 3617.77, 0.00323134/step, 3.45718 hours remaining, 238.066406 MB of memory in use. ENERGY: 1148400 4014.8612 20400.5889 14436.4582 252.0469 -203705.2520 2582.8812 0.0000 0.0000 51930.2875 -110088.1281 298.4441 -162018.4156 -109725.8107 297.9299 -303.3537 -271.5420 762060.4636 3.0293 2.8303 PRESSURE: 1148600 -50.2628 -93.7703 -187.085 -93.7709 324.507 -23.5679 -187.084 -23.5674 -63.2728 GPRESSURE: 1148600 29.2967 -141.471 -203.216 -163.637 276.437 -15.836 -188.289 -119.764 -14.8505 PRESSAVG: 1148600 5.38086 22.7679 13.5426 22.7679 3.04049 -44.6165 13.5426 -44.6165 -7.41027 GPRESSAVG: 1148600 4.71274 23.5933 14.3026 23.1475 3.38503 -45.093 13.8289 -44.1466 -6.54214 TIMING: 1148600 CPU: 3618.4, 0.00317071/step Wall: 3618.4, 0.00317071/step, 3.39213 hours remaining, 238.269531 MB of memory in use. ENERGY: 1148600 3980.4013 20661.9052 14459.0920 261.7321 -203749.5286 2594.2045 0.0000 0.0000 52049.7956 -109742.3978 299.1309 -161792.1935 -109370.0035 298.3343 70.3238 96.9611 760501.3130 0.3370 0.5185 PRESSURE: 1148800 361.869 -139.967 -174.225 -139.967 -132.125 107.749 -174.225 107.751 352.608 GPRESSURE: 1148800 309.452 -60.6984 -263.47 -145.741 -11.4246 81.032 -29.2041 132.314 337.859 PRESSAVG: 1148800 -0.399538 -20.6124 -30.3858 -20.6124 30.1891 -27.9455 -30.3858 -27.9454 -5.73241 GPRESSAVG: 1148800 -0.774427 -22.8497 -32.8938 -19.274 30.1108 -27.9064 -30.9097 -29.1495 -5.7646 TIMING: 1148800 CPU: 3619.04, 0.00317503/step Wall: 3619.04, 0.00317503/step, 3.39658 hours remaining, 238.269531 MB of memory in use. ENERGY: 1148800 3990.1949 20517.8132 14456.8882 238.5703 -203635.2061 2482.8420 0.0000 0.0000 52129.4727 -109819.4249 299.5888 -161948.8976 -109457.0428 299.1087 194.1175 211.9623 760737.5545 8.0190 7.8572 PRESSURE: 1149000 -236.806 33.4991 260.241 33.4984 253.488 -134.347 260.24 -134.348 338.491 GPRESSURE: 1149000 -236.62 40.0148 254.636 27.7691 346.054 -44.0216 247.597 -121.106 308.416 PRESSAVG: 1149000 10.2421 -1.71251 68.7521 -1.71248 6.49017 11.3675 68.7521 11.3676 -31.4448 GPRESSAVG: 1149000 10.4688 -3.14468 70.8012 -2.3276 7.18469 11.7397 64.8605 12.7648 -32.9267 TIMING: 1149000 CPU: 3619.67, 0.00315535/step Wall: 3619.67, 0.00315535/step, 3.37535 hours remaining, 238.269531 MB of memory in use. ENERGY: 1149000 3891.4213 20665.3302 14401.4975 267.1680 -203561.9075 2596.2008 0.0000 0.0000 51862.0271 -109878.2626 298.0518 -161740.2897 -109522.4654 298.4501 118.3909 139.2833 760409.0147 -4.9042 -5.0911 PRESSURE: 1149200 30.4306 -142.425 64.5058 -142.425 -31.7615 183.407 64.5057 183.406 74.7827 GPRESSURE: 1149200 -8.86237 -48.9608 43.4718 -55.6063 38.8279 170.66 79.9126 162.478 141.203 PRESSAVG: 1149200 -15.6542 -23.2672 61.0472 -23.2673 8.44357 9.27473 61.0473 9.27467 15.7297 GPRESSAVG: 1149200 -15.0438 -22.2929 60.4604 -20.492 7.34349 10.7396 63.6712 9.98628 16.1724 TIMING: 1149200 CPU: 3620.3, 0.00315322/step Wall: 3620.3, 0.00315322/step, 3.37289 hours remaining, 238.269531 MB of memory in use. ENERGY: 1149200 4006.2036 20453.4049 14485.3055 253.3947 -203756.8088 2726.0228 0.0000 0.0000 51854.5237 -109977.9537 298.0087 -161832.4773 -109612.0802 298.6170 24.4839 57.0560 761484.0394 2.8397 2.8241 PRESSURE: 1149400 143.409 305.381 -14.061 305.381 -90.5892 3.54983 -14.0615 3.54861 126.076 GPRESSURE: 1149400 153.289 239.264 -56.3231 207.088 -14.3515 -57.0842 -86.6009 -36.9209 116.504 PRESSAVG: 1149400 28.6372 10.1453 19.6029 10.1453 -29.9196 -4.18179 19.6029 -4.18192 -6.47398 GPRESSAVG: 1149400 28.1355 11.0728 20.8693 9.63119 -30.1071 -5.31829 18.8182 -7.13135 -5.34773 TIMING: 1149400 CPU: 3620.93, 0.00317014/step Wall: 3620.93, 0.00317014/step, 3.39082 hours remaining, 238.269531 MB of memory in use. ENERGY: 1149400 3998.0156 20581.0323 14430.5865 246.5155 -203002.6773 2399.0225 0.0000 0.0000 51610.0953 -109737.4097 296.6039 -161347.5050 -109381.4755 298.6175 59.6319 85.1472 760600.3861 -2.5855 -2.4398 PRESSURE: 1149600 -72.1677 20.8242 -233.666 20.8243 -277.508 -101.842 -233.666 -101.841 315.612 GPRESSURE: 1149600 -55.2928 83.5623 -233.385 26.4445 -131.056 -134.49 -120.769 45.2399 227.317 PRESSAVG: 1149600 26.4064 26.1724 44.0064 26.1724 -33.148 -45.3298 44.0065 -45.3298 16.6358 GPRESSAVG: 1149600 26.7918 26.9893 42.4215 22.7255 -32.7253 -45.9348 43.7758 -42.2216 15.8842 TIMING: 1149600 CPU: 3621.57, 0.00315319/step Wall: 3621.57, 0.00315319/step, 3.37251 hours remaining, 238.269531 MB of memory in use. ENERGY: 1149600 3930.0652 20459.8830 14384.5880 263.0793 -203417.4441 2330.8095 0.0000 0.0000 52283.7921 -109765.2269 300.4757 -162049.0191 -109393.2550 299.1854 -11.3546 13.6559 761313.9930 3.2981 3.3169 PRESSURE: 1149800 213.856 -25.3808 113.336 -25.3809 -81.3668 -258.486 113.336 -258.487 586.788 GPRESSURE: 1149800 348.744 2.43042 123.419 16.7546 -111.066 -267.79 106.921 -212.435 582.123 PRESSAVG: 1149800 8.10403 13.3242 41.9409 13.3243 -43.4145 0.0477871 41.9408 0.0477059 9.46485 GPRESSAVG: 1149800 8.52078 14.5725 42.4792 15.1106 -43.9653 0.00213237 43.0034 -1.47064 9.5244 TIMING: 1149800 CPU: 3622.2, 0.00315686/step Wall: 3622.2, 0.00315686/step, 3.37626 hours remaining, 238.269531 MB of memory in use. ENERGY: 1149800 3930.6484 20430.3567 14357.8605 224.2722 -203507.8108 2583.6995 0.0000 0.0000 52131.7521 -109849.2213 299.6019 -161980.9734 -109476.8444 298.6767 239.7593 273.2672 759869.3548 -8.6152 -8.6400 PRESSURE: 1150000 -119.248 55.2716 -88.7964 55.2714 279.869 104.301 -88.796 104.302 146.694 GPRESSURE: 1150000 12.9296 -18.3317 -94.1987 62.5596 241.642 68.5159 -64.9663 56.6798 134.548 PRESSAVG: 1150000 21.408 7.82675 37.8092 7.8267 2.44295 -23.324 37.8092 -23.324 14.6579 GPRESSAVG: 1150000 19.1774 5.39592 37.5753 7.27391 3.71076 -21.1812 36.5608 -24.5662 15.6776 TIMING: 1150000 CPU: 3622.83, 0.00314438/step Wall: 3622.83, 0.00314438/step, 3.36274 hours remaining, 238.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1150000 3862.2999 20576.6114 14451.7348 242.2149 -203874.9429 2829.0001 0.0000 0.0000 51847.1935 -110065.8883 297.9665 -161913.0818 -109704.1548 298.7631 102.4382 129.7067 761293.6752 12.8363 12.8552 PRESSURE: 1150200 79.1336 157.958 92.9526 157.959 67.226 -19.4982 92.9526 -19.4977 203.169 GPRESSURE: 1150200 205.821 125.703 94.8096 126.732 78.2413 -43.1872 49.329 20.2692 151.17 PRESSAVG: 1150200 -8.98947 -29.1389 39.851 -29.1388 20.1045 -36.1848 39.851 -36.1848 -9.60069 GPRESSAVG: 1150200 -5.29054 -29.6847 40.3149 -28.1069 17.9882 -36.6877 41.1598 -36.2525 -11.3712 TIMING: 1150200 CPU: 3623.45, 0.00314265/step Wall: 3623.45, 0.00314265/step, 3.36071 hours remaining, 238.269531 MB of memory in use. ENERGY: 1150200 4040.7810 20385.7676 14420.9189 231.8470 -204000.7167 2854.4267 0.0000 0.0000 52195.7411 -109871.2344 299.9696 -162066.9754 -109495.8877 298.5136 116.5094 145.0777 759855.1297 0.5048 0.4422 PRESSURE: 1150400 67.9664 -132.9 -249.434 -132.901 29.9946 11.3484 -249.433 11.3489 75.3759 GPRESSURE: 1150400 107.26 -83.3932 -312.202 -82.1206 53.399 -44.354 -242.93 75.2015 88.9785 PRESSAVG: 1150400 68.3034 -23.3153 37.883 -23.3154 -35.428 1.39955 37.883 1.3997 13.2364 GPRESSAVG: 1150400 66.1314 -22.0376 36.2943 -23.414 -35.0469 0.389585 38.3554 1.16195 14.5167 TIMING: 1150400 CPU: 3624.08, 0.00315295/step Wall: 3624.08, 0.00315295/step, 3.37156 hours remaining, 238.269531 MB of memory in use. ENERGY: 1150400 3967.4947 20539.7371 14530.8964 223.9596 -203712.1877 2732.8872 0.0000 0.0000 52098.6921 -109618.5206 299.4119 -161717.2127 -109249.7256 298.9215 57.7790 83.2126 758968.1892 15.3706 15.2004 PRESSURE: 1150600 -132.141 178.862 -53.0872 178.863 -215.453 408.983 -53.0875 408.985 25.496 GPRESSURE: 1150600 -56.578 81.6474 -12.2747 107.756 -145.686 352.929 -18.7101 373.798 -37.3378 PRESSAVG: 1150600 -13.8445 -5.51518 -0.68485 -5.51524 29.3874 52.5679 -0.684879 52.5679 3.3919 GPRESSAVG: 1150600 -13.0098 -6.11273 2.18759 -5.45835 30.5989 52.4309 -2.84571 54.2734 1.69022 TIMING: 1150600 CPU: 3624.72, 0.00315417/step Wall: 3624.72, 0.00315417/step, 3.37269 hours remaining, 238.269531 MB of memory in use. ENERGY: 1150600 3971.8707 20450.6751 14486.6254 234.7887 -203654.9950 2652.6453 0.0000 0.0000 51991.9346 -109866.4552 298.7984 -161858.3898 -109508.6410 298.9824 -107.3659 -79.8673 757927.1823 6.3116 6.4265 PRESSURE: 1150800 -89.2891 -121.743 -172.255 -121.744 118.198 102.32 -172.254 102.32 -154.94 GPRESSURE: 1150800 -79.7508 -46.6339 -216.85 -133.446 199.683 102.315 -178.804 168.51 -152.129 PRESSAVG: 1150800 -4.17907 -19.3145 41.1088 -19.3146 3.12893 7.93933 41.1088 7.93931 -25.2335 GPRESSAVG: 1150800 -4.28872 -17.6644 39.9135 -20.6007 1.87444 9.76499 42.6892 5.00227 -23.7144 TIMING: 1150800 CPU: 3625.35, 0.0031593/step Wall: 3625.35, 0.0031593/step, 3.37799 hours remaining, 238.269531 MB of memory in use. ENERGY: 1150800 3996.4871 20488.7551 14456.9016 244.2040 -203856.3356 2751.5240 0.0000 0.0000 52220.0598 -109698.4039 300.1094 -161918.4638 -109344.3072 299.2523 -42.0105 -10.7324 758472.5974 -8.7612 -8.7096 PRESSURE: 1151000 146.468 14.7203 212.365 14.72 -226.119 56.5689 212.366 56.5695 -76.0163 GPRESSURE: 1151000 196.205 -62.3013 273.519 67.1884 -188.354 50.3714 132.22 93.0734 -67.3908 PRESSAVG: 1151000 53.0789 17.1643 -10.3396 17.1643 -9.37716 -21.4961 -10.3397 -21.4963 12.0274 GPRESSAVG: 1151000 51.9469 19.5076 -12.1666 17.7797 -7.07765 -21.6155 -10.7804 -20.2631 11.0676 TIMING: 1151000 CPU: 3625.97, 0.00313431/step Wall: 3625.97, 0.00313431/step, 3.3511 hours remaining, 238.269531 MB of memory in use. ENERGY: 1151000 3932.8108 20682.7996 14490.0545 229.3158 -203195.4096 2420.1328 0.0000 0.0000 51867.0278 -109573.2683 298.0805 -161440.2961 -109213.9716 298.9761 -51.8892 -19.8467 759540.9281 18.5764 18.6456 PRESSURE: 1151200 28.9765 -34.3438 -253.868 -34.3448 277.747 253.122 -253.867 253.123 128.509 GPRESSURE: 1151200 177.18 -8.68308 -284.999 -109.79 218.067 242.026 -212.981 103.921 106.397 PRESSAVG: 1151200 37.7103 4.06195 -20.447 4.06197 -18.8402 -16.6259 -20.447 -16.6259 -23.278 GPRESSAVG: 1151200 38.8713 1.99911 -18.8114 4.48711 -20.0607 -18.2559 -22.3894 -15.7265 -23.1463 TIMING: 1151200 CPU: 3626.6, 0.003153/step Wall: 3626.6, 0.003153/step, 3.37091 hours remaining, 238.269531 MB of memory in use. ENERGY: 1151200 3911.1480 20720.0255 14453.2693 257.8786 -203749.6248 2705.0995 0.0000 0.0000 52244.7994 -109457.4046 300.2516 -161702.2039 -109086.4254 299.5781 145.0772 167.2146 760629.7324 -1.4693 -1.4452 PRESSURE: 1151400 84.6549 33.1027 12.7742 33.1017 270.787 -161.97 12.775 -161.969 214.272 GPRESSURE: 1151400 134.747 48.4677 -63.7609 4.35393 310.345 -249.563 156.295 -105.493 195.268 PRESSAVG: 1151400 26.6483 -49.5907 10.1055 -49.5908 6.45059 51.5747 10.1056 51.5747 21.6219 GPRESSAVG: 1151400 26.0496 -49.4566 10.3219 -49.0248 6.82929 50.9108 12.2967 53.3831 21.2604 TIMING: 1151400 CPU: 3627.24, 0.00315398/step Wall: 3627.24, 0.00315398/step, 3.37178 hours remaining, 238.269531 MB of memory in use. ENERGY: 1151400 3982.7579 20512.5642 14458.1618 241.8135 -203976.0277 2823.5107 0.0000 0.0000 52425.3470 -109531.8726 301.2892 -161957.2195 -109168.1723 300.4244 189.9044 213.4536 759070.6801 18.2402 18.0464 PRESSURE: 1151600 -232.547 -42.9161 -132.062 -42.916 229.364 -54.8768 -132.062 -54.8762 82.7209 GPRESSURE: 1151600 -208.268 -99.1141 -37.9759 -136.319 259.624 -24.8128 -104.968 -100.629 109.071 PRESSAVG: 1151600 11.3977 -18.6163 -25.7354 -18.6163 -33.4317 63.3438 -25.7354 63.3438 27.7674 GPRESSAVG: 1151600 10.3801 -19.8477 -26.4501 -18.9594 -33.2426 65.2597 -25.9139 60.7304 29.4447 TIMING: 1151600 CPU: 3627.87, 0.00316313/step Wall: 3627.87, 0.00316313/step, 3.38138 hours remaining, 238.269531 MB of memory in use. ENERGY: 1151600 4013.8233 20500.1712 14446.4504 238.2397 -203419.6378 2688.8457 0.0000 0.0000 52022.5890 -109509.5186 298.9745 -161532.1076 -109148.6153 299.3093 26.5126 53.4757 761372.8904 1.9111 2.1941 PRESSURE: 1151800 -78.959 51.4924 106.917 51.492 163.909 158.106 106.917 158.106 -115.605 GPRESSURE: 1151800 -120.734 26.1875 139.328 -7.83925 311.157 50.325 104.772 127.261 -138.609 PRESSAVG: 1151800 -15.6012 -8.19734 18.9127 -8.19732 42.1092 69.2167 18.9127 69.2166 2.19895 GPRESSAVG: 1151800 -16.6378 -7.5232 18.9385 -11.3918 42.9632 67.9742 17.9315 70.2657 2.6548 TIMING: 1151800 CPU: 3628.51, 0.00318441/step Wall: 3628.51, 0.00318441/step, 3.40396 hours remaining, 238.269531 MB of memory in use. ENERGY: 1151800 3907.2338 20433.2932 14456.8079 254.1907 -202959.6317 2160.9761 0.0000 0.0000 52425.2547 -109321.8753 301.2887 -161747.1300 -108962.7194 299.8695 -10.2182 17.2712 760973.6436 9.5690 9.6601 PRESSURE: 1152000 -129.545 -80.9806 -220.328 -80.9803 28.5741 -23.8918 -220.328 -23.8922 -36.2907 GPRESSURE: 1152000 -65.6333 -19.3386 -250.826 -73.2499 35.4759 -98.4072 -270.149 82.9274 5.73222 PRESSAVG: 1152000 -17.5919 -40.5381 8.48755 -40.5381 9.55527 49.9332 8.48758 49.9332 4.89686 GPRESSAVG: 1152000 -15.2153 -40.7961 10.1482 -36.4045 8.0327 51.4111 9.5754 49.4538 4.6104 TIMING: 1152000 CPU: 3629.14, 0.0031626/step Wall: 3629.14, 0.0031626/step, 3.38047 hours remaining, 238.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1152000 3991.0544 20588.2970 14423.8620 235.8751 -203521.1061 2865.5187 0.0000 0.0000 52307.9939 -109108.5050 300.6148 -161416.4989 -108748.5863 300.6135 -45.7539 -8.1417 760579.0106 -1.0466 -0.8574 PRESSURE: 1152200 -454.885 -231.142 -160.538 -231.142 52.0895 83.6519 -160.538 83.6525 -27.4961 GPRESSURE: 1152200 -350.782 -306.756 -129.752 -198.068 47.8922 159.383 -143.347 121.358 -65.0185 PRESSAVG: 1152200 7.96038 3.12687 -30.2217 3.12677 21.6074 44.4362 -30.2217 44.4363 3.35252 GPRESSAVG: 1152200 8.11679 2.30621 -32.3862 0.76697 21.8796 42.7677 -29.4839 44.405 2.46067 TIMING: 1152200 CPU: 3629.77, 0.00315799/step Wall: 3629.77, 0.00315799/step, 3.37537 hours remaining, 238.269531 MB of memory in use. ENERGY: 1152200 3934.9965 20757.1361 14455.5221 257.5554 -203003.2356 2215.4675 0.0000 0.0000 52097.6286 -109284.9294 299.4058 -161382.5580 -108925.0808 300.1936 -143.4305 -122.6359 761358.7679 10.9734 10.8190 LDB: ============= START OF LOAD BALANCING ============== 3642.17 LDB: ============== END OF LOAD BALANCING =============== 3642.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3642.17 LDB: ============= START OF LOAD BALANCING ============== 3642.48 LDB: Largest compute 7035 load 0.032644 is 16.7% of average load 0.195924 LDB: Average compute 0.004387 is 2.2% of average load 0.195924 LDB: TIME 3642.49 LOAD: AVG 0.195924 MAX 0.216127 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.824 MB LDB: TIME 3642.49 LOAD: AVG 0.195924 MAX 0.216127 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.824 MB LDB: TIME 3642.49 LOAD: AVG 0.195924 MAX 0.216127 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.824 MB LDB: ============== END OF LOAD BALANCING =============== 3642.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3642.5 PRESSURE: 1152400 -200.557 37.0674 94.2841 37.068 54.1173 -246.89 94.2828 -246.889 -213.204 GPRESSURE: 1152400 -224.403 25.3584 48.1227 90.984 119.272 -213.827 46.2425 -209.317 -185.032 PRESSAVG: 1152400 3.13083 9.40699 -12.1622 9.40702 26.0608 -29.2724 -12.1622 -29.2724 1.98115 GPRESSAVG: 1152400 2.82396 10.0916 -11.9392 8.64526 26.0704 -28.5009 -13.6264 -30.2062 2.33948 TIMING: 1152400 CPU: 3630.41, 0.0032207/step Wall: 3630.41, 0.0032207/step, 3.44221 hours remaining, 238.578125 MB of memory in use. ENERGY: 1152400 4062.3767 20375.4914 14399.5123 235.0642 -203213.5339 2448.3921 0.0000 0.0000 52150.2033 -109542.4939 299.7079 -161692.6972 -109184.7698 299.5863 -119.8813 -96.7211 761096.2907 10.3909 10.4113 PRESSURE: 1152600 446.348 -209.437 -80.4689 -209.438 -130.138 -58.6981 -80.4686 -58.6989 25.8453 GPRESSURE: 1152600 526.703 -221.781 -80.106 -172.182 -135.134 -68.5505 -23.1738 -59.7694 26.1918 PRESSAVG: 1152600 13.5936 -3.48461 -3.04179 -3.48459 -16.0019 -26.2034 -3.04176 -26.2033 24.4782 GPRESSAVG: 1152600 13.4872 -2.6796 -3.14258 -1.65624 -15.5271 -26.2458 -3.99074 -25.1281 24.1653 TIMING: 1152600 CPU: 3631.05, 0.00316159/step Wall: 3631.05, 0.00316158/step, 3.37886 hours remaining, 238.578125 MB of memory in use. ENERGY: 1152600 4053.2889 20430.4551 14472.0622 259.7905 -203517.7017 2760.1927 0.0000 0.0000 52068.0121 -109473.9002 299.2356 -161541.9123 -109109.8096 299.3077 114.0186 139.2534 759956.2723 7.3566 7.3751 PRESSURE: 1152800 -243.586 3.51884 -80.0768 3.51801 136.587 75.4531 -80.0774 75.4545 184.682 GPRESSURE: 1152800 -145.044 -132.319 -38.0212 -3.25841 127.148 -0.660054 17.8612 36.4681 193.314 PRESSAVG: 1152800 16.9345 -20.9107 3.68811 -20.9108 -13.7926 40.6554 3.68804 40.6554 9.46599 GPRESSAVG: 1152800 16.3426 -22.33 5.21665 -22.2964 -13.6164 40.3351 5.54723 40.0209 9.65753 TIMING: 1152800 CPU: 3631.68, 0.00315572/step Wall: 3631.68, 0.00315572/step, 3.37241 hours remaining, 238.781250 MB of memory in use. ENERGY: 1152800 3978.0814 20603.3649 14438.7492 235.9891 -203288.8837 2410.1213 0.0000 0.0000 52132.9182 -109489.6597 299.6086 -161622.5779 -109130.7031 300.0797 25.8944 58.4730 760264.4287 4.2026 4.1279 PRESSURE: 1153000 -7.5488 -92.6503 71.2541 -92.6505 62.0758 -33.3234 71.2551 -33.3233 78.8764 GPRESSURE: 1153000 59.3391 -146.677 30.6062 -94.1333 115.724 12.0953 106.255 -63.8994 46.4345 PRESSAVG: 1153000 -25.6893 -98.1557 60.7113 -98.1556 32.2038 46.2788 60.7113 46.2788 31.2822 GPRESSAVG: 1153000 -26.5199 -98.4218 57.8638 -97.2194 32.3975 46.8142 59.8479 45.6829 32.5213 TIMING: 1153000 CPU: 3632.31, 0.00315962/step Wall: 3632.31, 0.00315962/step, 3.37641 hours remaining, 238.781250 MB of memory in use. ENERGY: 1153000 4059.1988 20423.5713 14427.6352 237.0168 -203462.6459 2489.5079 0.0000 0.0000 52108.4867 -109717.2292 299.4682 -161825.7160 -109361.7639 299.2582 44.4678 73.8325 758924.7930 12.5989 12.7996 PRESSURE: 1153200 96.5906 105.364 17.9562 105.365 180.291 23.4504 17.9565 23.4501 258.621 GPRESSURE: 1153200 170.509 -92.117 -68.0381 138.524 184.872 -61.9656 30.4177 61.5913 272.669 PRESSAVG: 1153200 35.8322 -89.8784 -26.2341 -89.8784 -27.896 52.8373 -26.2341 52.8374 -14.3074 GPRESSAVG: 1153200 36.7724 -90.2758 -24.4618 -90.2903 -27.3853 52.4926 -24.2864 53.4587 -16.3373 TIMING: 1153200 CPU: 3632.94, 0.00314949/step Wall: 3632.94, 0.00314949/step, 3.3654 hours remaining, 238.781250 MB of memory in use. ENERGY: 1153200 4017.5664 20670.4623 14385.8824 241.7611 -203676.4942 2594.2124 0.0000 0.0000 52011.7422 -109754.8674 298.9122 -161766.6096 -109394.5448 299.5777 178.5009 209.3498 759326.5789 -2.1237 -2.3167 PRESSURE: 1153400 -148.321 -13.7285 -202.803 -13.729 268.761 -185.4 -202.803 -185.4 357.841 GPRESSURE: 1153400 -144.296 195.451 -176.869 -48.1021 310.548 -243.911 -155.196 -28.1664 383.108 PRESSAVG: 1153400 11.2199 14.7732 4.85582 14.7732 17.1545 -5.36043 4.85586 -5.36043 4.54804 GPRESSAVG: 1153400 12.042 16.999 5.81496 13.4455 16.003 -4.24608 5.95396 -4.58295 5.32068 TIMING: 1153400 CPU: 3633.57, 0.00315098/step Wall: 3633.57, 0.00315098/step, 3.36682 hours remaining, 238.781250 MB of memory in use. ENERGY: 1153400 4006.8985 20514.8938 14437.8930 229.0571 -203705.7889 2700.5549 0.0000 0.0000 51992.1610 -109824.3307 298.7997 -161816.4916 -109456.9062 298.5621 159.4270 183.1203 759671.4869 10.9742 11.1219 PRESSURE: 1153600 48.3801 -321.31 8.66234 -321.309 52.0531 93.7882 8.66173 93.7879 -198.54 GPRESSURE: 1153600 70.1946 -317.386 -10.8014 -290.117 46.9205 79.5489 69.729 55.3161 -126.727 PRESSAVG: 1153600 -44.4724 14.4339 -25.3086 14.4339 25.2298 -15.0756 -25.3086 -15.0756 -6.68896 GPRESSAVG: 1153600 -45.5524 13.2818 -27.0939 16.7719 26.0944 -15.9322 -26.7557 -15.065 -5.90052 TIMING: 1153600 CPU: 3634.2, 0.00316713/step Wall: 3634.2, 0.00316713/step, 3.3839 hours remaining, 238.781250 MB of memory in use. ENERGY: 1153600 4015.5918 20581.8410 14433.6728 236.9533 -203326.5567 2361.7287 0.0000 0.0000 51957.6188 -109739.1504 298.6011 -161696.7692 -109367.0222 298.5484 -32.7023 -3.2041 760640.2881 -8.6439 -8.4528 PRESSURE: 1153800 -261.307 -141.359 318.393 -141.359 -0.535867 139.976 318.392 139.975 -726.771 GPRESSURE: 1153800 -216.838 -178.149 351.389 -197.749 22.5835 109.855 231.563 136.12 -701.194 PRESSAVG: 1153800 -9.90905 -56.2099 41.2028 -56.2099 9.22568 26.2143 41.2028 26.2144 -16.0665 GPRESSAVG: 1153800 -7.90114 -53.9931 42.8996 -56.806 8.41155 27.1294 38.9657 25.0594 -16.8546 TIMING: 1153800 CPU: 3634.83, 0.00316192/step Wall: 3634.83, 0.00316192/step, 3.37816 hours remaining, 238.781250 MB of memory in use. ENERGY: 1153800 3994.7732 20551.4701 14417.4265 254.9453 -203085.6997 2187.7579 0.0000 0.0000 52116.6781 -109562.6486 299.5153 -161679.3267 -109210.1672 298.9277 -329.5382 -298.4830 760912.5992 -5.5833 -5.4481 PRESSURE: 1154000 -316.933 -148.69 -51.4391 -148.69 145.258 320.252 -51.4389 320.251 -44.2429 GPRESSURE: 1154000 -173.713 -126.321 -41.0661 -127.105 52.5227 291.751 -95.2853 297.318 3.15922 PRESSAVG: 1154000 -75.2546 -15.4519 3.37827 -15.4519 49.9739 60.634 3.37832 60.634 7.4285 GPRESSAVG: 1154000 -76.5205 -16.574 1.82093 -17.2438 50.2193 62.4424 5.73083 60.0907 8.36484 TIMING: 1154000 CPU: 3635.47, 0.00317454/step Wall: 3635.47, 0.00317454/step, 3.39147 hours remaining, 238.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1154000 3918.6387 20530.7263 14484.2822 257.6932 -202829.4361 2168.0622 0.0000 0.0000 52022.5615 -109447.4719 298.9744 -161470.0334 -109084.3483 299.4632 -71.9727 -39.3436 762499.1236 -5.9507 -5.9788 PRESSURE: 1154200 -86.1548 -39.2531 -221.681 -39.2532 -63.4049 73.4525 -221.681 73.4527 101.56 GPRESSURE: 1154200 -46.8292 -98.4298 -128.064 28.5674 -59.5104 77.6727 -309.163 124.506 139.884 PRESSAVG: 1154200 -37.9258 -14.2226 7.496 -14.2226 33.1004 72.2812 7.49599 72.2812 7.74059 GPRESSAVG: 1154200 -37.3789 -13.8797 9.16674 -12.4595 32.8699 71.6218 4.32505 73.5303 7.44841 TIMING: 1154200 CPU: 3636.1, 0.0031591/step Wall: 3636.1, 0.0031591/step, 3.3748 hours remaining, 238.781250 MB of memory in use. ENERGY: 1154200 3972.2992 20637.8780 14405.1755 235.8382 -203449.2151 2606.1729 0.0000 0.0000 52091.0904 -109500.7610 299.3682 -161591.8513 -109144.2793 299.1362 -15.9999 11.1815 762128.8312 0.9717 0.9798 PRESSURE: 1154400 60.3028 -103.069 156.926 -103.069 116.229 151.22 156.926 151.221 -238.852 GPRESSURE: 1154400 76.0131 -149.215 272.911 -38.2931 85.146 177.212 155.719 156.919 -148.632 PRESSAVG: 1154400 -69.4321 9.54294 27.5936 9.54297 77.107 5.78488 27.5936 5.78488 2.77677 GPRESSAVG: 1154400 -69.465 8.27234 25.4656 11.1337 77.0718 4.46179 30.2602 5.22953 2.44478 TIMING: 1154400 CPU: 3636.73, 0.00315969/step Wall: 3636.73, 0.00315969/step, 3.37525 hours remaining, 238.781250 MB of memory in use. ENERGY: 1154400 3996.1627 20491.7512 14470.1168 244.2076 -203610.5944 2715.5029 0.0000 0.0000 52235.8083 -109457.0449 300.1999 -161692.8532 -109094.5582 299.1528 -20.7737 4.1756 761069.1981 3.4839 3.3506 PRESSURE: 1154600 -19.7416 148.771 200.229 148.772 183.217 -160.286 200.229 -160.286 165.466 GPRESSURE: 1154600 40.7351 79.4789 218.731 -23.2633 210.895 -149.889 159.991 -135.241 152.191 PRESSAVG: 1154600 -42.5486 -25.3039 71.3517 -25.304 9.50763 41.9778 71.3518 41.9778 14.9477 GPRESSAVG: 1154600 -41.7185 -24.1268 71.5767 -27.7952 8.79141 43.1659 71.6741 41.1931 15.0173 TIMING: 1154600 CPU: 3637.36, 0.00314495/step Wall: 3637.36, 0.00314495/step, 3.35934 hours remaining, 238.781250 MB of memory in use. ENERGY: 1154600 4065.1673 20421.9036 14442.7470 244.7590 -203382.5306 2763.1328 0.0000 0.0000 52106.2192 -109338.6018 299.4552 -161444.8210 -108967.4413 299.3284 109.6472 134.6071 761155.1467 -6.0311 -5.9699 PRESSURE: 1154800 -16.0263 -185.435 -65.383 -185.435 114.868 -38.371 -65.3833 -38.371 -327.529 GPRESSURE: 1154800 4.16411 -241.208 -70.6649 -144.227 133.261 1.67119 -79.5393 -56.5254 -271.008 PRESSAVG: 1154800 -9.21432 -60.86 76.8725 -60.86 46.6885 -18.3599 76.8723 -18.3598 23.2295 GPRESSAVG: 1154800 -9.98986 -61.0826 76.1181 -60.7732 47.2891 -16.4061 76.9292 -19.765 23.1355 TIMING: 1154800 CPU: 3637.99, 0.00315403/step Wall: 3637.99, 0.00315403/step, 3.36885 hours remaining, 238.781250 MB of memory in use. ENERGY: 1154800 4033.0461 20616.8867 14469.5123 256.2026 -203209.1734 2285.8886 0.0000 0.0000 52147.9385 -109399.6987 299.6949 -161547.6372 -109043.1610 300.1875 -76.2290 -44.5277 761963.9611 20.2345 20.1449 PRESSURE: 1155000 84.5429 -142.356 102.88 -142.355 166.773 -2.29406 102.88 -2.29361 -178.777 GPRESSURE: 1155000 226.13 -139.001 78.3161 -117.303 175.607 39.7497 84.3686 -36.0501 -240.261 PRESSAVG: 1155000 4.04352 6.59218 5.44547 6.59219 10.7416 -70.7748 5.44551 -70.7748 12.9716 GPRESSAVG: 1155000 4.07295 7.6942 7.71774 4.62478 11.5708 -71.4552 2.16937 -69.37 12.8042 TIMING: 1155000 CPU: 3638.63, 0.00316463/step Wall: 3638.63, 0.00316464/step, 3.38001 hours remaining, 238.781250 MB of memory in use. ENERGY: 1155000 4052.5162 20610.7191 14408.6932 238.4609 -203723.0350 2880.0008 0.0000 0.0000 52127.6045 -109405.0402 299.5781 -161532.6447 -109051.4540 299.5988 24.1795 53.8252 759905.4641 9.2523 9.4826 PRESSURE: 1155200 -280.988 -68.4874 165.681 -68.4883 137.524 -151.973 165.68 -151.973 -42.6029 GPRESSURE: 1155200 -206.753 11.7787 152.417 -56.1284 164.617 -77.1519 122.803 -267.948 -58.3441 PRESSAVG: 1155200 -14.4226 -35.5376 5.1779 -35.5376 2.84319 3.00744 5.17787 3.0074 19.7002 GPRESSAVG: 1155200 -14.0279 -36.3788 4.20724 -34.6699 3.29261 1.50833 5.34973 1.82328 19.6862 TIMING: 1155200 CPU: 3639.26, 0.00315899/step Wall: 3639.26, 0.00315899/step, 3.3738 hours remaining, 238.781250 MB of memory in use. ENERGY: 1155200 4020.8466 20638.7699 14407.0672 260.6617 -203125.7199 2291.1294 0.0000 0.0000 51904.0415 -109603.2036 298.2932 -161507.2451 -109252.8049 299.1081 -62.0224 -33.4933 760346.9058 2.7069 2.9836 PRESSURE: 1155400 -241.027 -5.0297 123.799 -5.03005 -73.6317 75.8948 123.799 75.895 177.403 GPRESSURE: 1155400 -150.363 93.4806 135.213 -143.738 -39.5202 109.869 133.665 52.7915 136.642 PRESSAVG: 1155400 17.1971 -29.6151 16.6727 -29.6151 14.7256 -10.078 16.6727 -10.0781 1.00894 GPRESSAVG: 1155400 17.2019 -31.031 15.3582 -29.0337 14.937 -10.1323 18.7601 -8.55197 0.808849 TIMING: 1155400 CPU: 3639.89, 0.00313951/step Wall: 3639.89, 0.00313951/step, 3.35282 hours remaining, 238.781250 MB of memory in use. ENERGY: 1155400 3967.3093 20440.9511 14435.8361 259.7020 -202944.2474 2302.7088 0.0000 0.0000 51940.2527 -109597.4873 298.5013 -161537.7400 -109229.1187 298.8230 -45.7522 -17.7472 760764.1982 10.9772 10.9826 PRESSURE: 1155600 -220.079 9.10833 -127.963 9.10854 -42.5931 6.20255 -127.962 6.20222 -278.561 GPRESSURE: 1155600 -227.504 111.8 -202.885 -52.4144 19.9745 81.7945 -58.0015 115.363 -246.845 PRESSAVG: 1155600 -40.7291 -64.7246 13.6489 -64.7246 18.1922 36.5458 13.6489 36.5459 15.1209 GPRESSAVG: 1155600 -40.7497 -64.7755 13.9276 -63.7303 17.5056 38.5777 14.5156 36.0849 16.4167 TIMING: 1155600 CPU: 3640.51, 0.0031448/step Wall: 3640.51, 0.0031448/step, 3.3583 hours remaining, 238.781250 MB of memory in use. ENERGY: 1155600 4024.6269 20466.1059 14395.7401 243.1029 -203184.4168 2439.0616 0.0000 0.0000 52032.8453 -109582.9341 299.0335 -161615.7793 -109221.6999 299.3508 -180.4110 -151.4583 761578.4162 -2.4720 -2.2758 PRESSURE: 1155800 407.572 -51.7238 52.8687 -51.7237 -272.367 -11.3921 52.8681 -11.3928 544.307 GPRESSURE: 1155800 349.056 30.7244 10.0584 -51.1339 -93.4865 -155.391 -78.0474 103.207 506.304 PRESSAVG: 1155800 -79.3814 -36.3413 -13.9769 -36.3413 76.0411 1.61935 -13.9768 1.61936 15.1141 GPRESSAVG: 1155800 -79.6796 -36.0339 -11.8839 -35.9742 77.6707 1.19819 -16.4194 1.28953 14.205 TIMING: 1155800 CPU: 3641.15, 0.00315655/step Wall: 3641.15, 0.00315655/step, 3.37067 hours remaining, 238.781250 MB of memory in use. ENERGY: 1155800 3958.1045 20396.3714 14413.5144 245.1712 -203169.8215 2770.6563 0.0000 0.0000 51951.2327 -109434.7709 298.5644 -161386.0036 -109074.1265 299.1160 226.5040 253.9580 762408.1419 3.9246 4.0654 PRESSURE: 1156000 -9.41703 53.8271 68.2292 53.8264 -228.26 -134.739 68.2296 -134.738 -36.9125 GPRESSURE: 1156000 -101.786 37.8306 18.0129 -47.5506 -169.111 -179.061 -16.8651 -101.886 77.2083 PRESSAVG: 1156000 -10.459 -42.829 -85.1253 -42.829 19.9485 -8.04956 -85.1254 -8.04953 3.78783 GPRESSAVG: 1156000 -10.1876 -43.2727 -85.636 -45.4318 18.1428 -8.9967 -85.1592 -5.27553 4.97025 TIMING: 1156000 CPU: 3641.77, 0.00314434/step Wall: 3641.77, 0.00314434/step, 3.35746 hours remaining, 238.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1156000 4018.7851 20657.6515 14456.3903 235.0777 -203447.9073 2623.5652 0.0000 0.0000 51950.5730 -109505.8645 298.5607 -161456.4375 -109147.6352 299.1194 -91.5298 -64.5627 761049.9600 4.4258 4.3085 PRESSURE: 1156200 -2.54334 -89.0796 11.1424 -89.0797 180.834 6.06366 11.1429 6.06497 -160.911 GPRESSURE: 1156200 15.9591 -125.697 42.6059 -89.8773 170.441 -34.9544 -66.2847 -20.0197 -77.5569 PRESSAVG: 1156200 -18.2588 -44.6862 -13.4196 -44.6861 43.9267 -0.748084 -13.4196 -0.748027 -17.3113 GPRESSAVG: 1156200 -19.1522 -43.2392 -13.7491 -40.7571 43.8536 -1.32431 -14.0338 -2.65321 -15.8992 TIMING: 1156200 CPU: 3642.4, 0.00314926/step Wall: 3642.4, 0.00314926/step, 3.36254 hours remaining, 238.781250 MB of memory in use. ENERGY: 1156200 4021.8769 20415.2028 14414.2954 263.7237 -202772.3560 2237.1526 0.0000 0.0000 51910.0941 -109510.0105 298.3280 -161420.1045 -109140.0026 299.3534 5.7933 36.2812 762985.3915 2.7855 2.9341 LDB: ============= START OF LOAD BALANCING ============== 3654.8 LDB: ============== END OF LOAD BALANCING =============== 3654.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3654.81 LDB: ============= START OF LOAD BALANCING ============== 3655.12 LDB: Largest compute 7033 load 0.033239 is 17.0% of average load 0.195959 LDB: Average compute 0.004391 is 2.2% of average load 0.195959 LDB: TIME 3655.13 LOAD: AVG 0.195959 MAX 0.214294 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.637 MB LDB: TIME 3655.13 LOAD: AVG 0.195959 MAX 0.214294 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.637 MB LDB: TIME 3655.13 LOAD: AVG 0.195959 MAX 0.214294 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.637 MB LDB: ============== END OF LOAD BALANCING =============== 3655.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3655.13 PRESSURE: 1156400 -86.5651 -28.7602 -140.391 -28.7607 -136.249 -82.2504 -140.392 -82.2505 82.2611 GPRESSURE: 1156400 -83.4065 57.995 -124.519 -1.0528 -19.0933 -54.2985 -128.553 -73.5249 68.0555 PRESSAVG: 1156400 4.99335 -32.0961 11.1606 -32.0962 0.907153 -18.0069 11.1606 -18.0069 -2.12297 GPRESSAVG: 1156400 6.81457 -30.6089 10.1566 -35.1785 1.68581 -16.567 11.7151 -19.8813 -4.70884 TIMING: 1156400 CPU: 3643.05, 0.00323388/step Wall: 3643.05, 0.00323388/step, 3.45271 hours remaining, 237.296875 MB of memory in use. ENERGY: 1156400 3993.6697 20451.0355 14421.6391 251.1737 -203572.6407 2752.3784 0.0000 0.0000 52124.2355 -109578.5087 299.5587 -161702.7442 -109225.8906 299.4558 -46.8509 -11.4814 760815.6250 1.2592 1.2638 PRESSURE: 1156600 -229.243 -56.4798 -233.122 -56.481 93.8752 71.6723 -233.121 71.6721 -39.3459 GPRESSURE: 1156600 -165.801 -25.9609 -151.662 -75.6616 203.758 80.8588 -39.2624 51.2434 -130.504 PRESSAVG: 1156600 -21.4789 -11.1507 0.832878 -11.1507 34.2759 -5.72426 0.832852 -5.72435 -3.04766 GPRESSAVG: 1156600 -22.7332 -12.0756 0.715423 -9.66312 35.261 -7.13434 2.89533 -3.11946 -2.85233 TIMING: 1156600 CPU: 3643.68, 0.00313452/step Wall: 3643.68, 0.00313452/step, 3.34645 hours remaining, 237.335938 MB of memory in use. ENERGY: 1156600 3884.3230 20464.0920 14479.1271 242.1861 -203096.9953 2498.3759 0.0000 0.0000 51913.2311 -109615.6601 298.3461 -161528.8912 -109252.2396 299.4042 -58.2380 -30.8491 762520.3468 3.2498 3.2252 PRESSURE: 1156800 135.44 -44.9209 226.015 -44.9212 -69.1689 320.463 226.015 320.462 85.8495 GPRESSURE: 1156800 82.7637 -55.8459 226.145 -85.295 53.8433 358.902 112.534 371.817 104.508 PRESSAVG: 1156800 -31.9861 -36.4683 39.3448 -36.4683 13.1796 -1.22812 39.3447 -1.2282 -11.5095 GPRESSAVG: 1156800 -32.4928 -37.5823 38.8099 -37.1684 12.4886 -0.715025 37.0086 -1.78545 -10.0677 TIMING: 1156800 CPU: 3644.31, 0.00316158/step Wall: 3644.31, 0.00316158/step, 3.37516 hours remaining, 237.335938 MB of memory in use. ENERGY: 1156800 3964.0379 20532.8319 14452.5336 243.3598 -203032.5244 2356.9051 0.0000 0.0000 51815.6097 -109667.2463 297.7850 -161482.8560 -109315.6766 298.4949 50.7070 80.3717 762200.7251 -10.1053 -10.0240 PRESSURE: 1157000 -153.482 164.593 46.0705 164.594 149.443 -104.582 46.0706 -104.583 144.484 GPRESSURE: 1157000 -50.9799 219.585 61.6227 229.562 146.467 -56.8753 -47.1348 -34.8509 126.74 PRESSAVG: 1157000 -28.9328 39.1719 -10.1924 39.1718 27.5573 42.8255 -10.1924 42.8255 3.4771 GPRESSAVG: 1157000 -27.9688 37.3014 -11.5722 39.9522 26.6314 42.5788 -9.38655 43.0014 3.41058 TIMING: 1157000 CPU: 3644.94, 0.00316708/step Wall: 3644.94, 0.00316708/step, 3.38086 hours remaining, 237.335938 MB of memory in use. ENERGY: 1157000 3958.0704 20690.2835 14385.0292 231.6919 -203397.6323 2569.3633 0.0000 0.0000 51791.2855 -109771.9085 297.6452 -161563.1940 -109418.8182 298.7462 46.8149 74.0758 762286.3680 0.7006 0.6911 PRESSURE: 1157200 -275.85 -279.658 -255.821 -279.658 -127.48 -52.0528 -255.821 -52.0531 -287.502 GPRESSURE: 1157200 -213.545 -178.016 -183.493 -225.212 -118.187 12.7121 -271.233 -120.921 -261.117 PRESSAVG: 1157200 -64.1687 17.6119 -35.1983 17.6118 11.9932 35.2777 -35.1983 35.2778 -14.3442 GPRESSAVG: 1157200 -63.8647 18.0487 -31.3568 17.265 11.4249 36.2926 -35.3153 35.9806 -14.3384 TIMING: 1157200 CPU: 3645.58, 0.00317015/step Wall: 3645.58, 0.00317015/step, 3.38396 hours remaining, 237.335938 MB of memory in use. ENERGY: 1157200 4002.3595 20420.7537 14415.6343 235.7031 -203344.8028 2434.5987 0.0000 0.0000 51937.0513 -109898.7023 298.4829 -161835.7536 -109532.0664 298.6309 -230.2772 -197.6163 760437.1762 -22.1732 -22.2594 PRESSURE: 1157400 -121.992 -179.596 -99.6731 -179.596 16.0265 -158.557 -99.6733 -158.557 -585.598 GPRESSURE: 1157400 -91.1116 -136.703 -167.334 -111.908 2.36465 -50.4975 -182.052 -81.7826 -539.97 PRESSAVG: 1157400 -21.922 38.444 -1.51858 38.4441 33.4544 32.7742 -1.51864 32.7742 9.89393 GPRESSAVG: 1157400 -22.1964 39.2805 -4.63534 38.5064 33.1227 32.5438 0.26871 30.6738 10.4563 TIMING: 1157400 CPU: 3646.21, 0.00316984/step Wall: 3646.21, 0.00316984/step, 3.38345 hours remaining, 237.335938 MB of memory in use. ENERGY: 1157400 3992.8882 20506.0933 14418.9308 233.1478 -203373.5153 2404.9606 0.0000 0.0000 51828.1650 -109989.3296 297.8572 -161817.4947 -109624.7442 298.5169 -230.5211 -209.5724 761341.0472 7.1421 7.1275 PRESSURE: 1157600 37.7738 -0.44074 -19.8329 -0.440117 21.447 199.475 -19.8338 199.475 -492.452 GPRESSURE: 1157600 -38.2315 -8.80608 73.7024 -55.377 132.198 225.979 -2.70348 103.639 -433.647 PRESSAVG: 1157600 -59.5056 30.706 28.6824 30.706 83.3465 22.9719 28.6824 22.9718 -16.6362 GPRESSAVG: 1157600 -59.0483 30.0304 30.9003 31.6908 83.8776 23.1562 26.7911 24.9699 -17.4269 TIMING: 1157600 CPU: 3646.85, 0.00317553/step Wall: 3646.85, 0.00317553/step, 3.38935 hours remaining, 237.335938 MB of memory in use. ENERGY: 1157600 3975.9680 20632.9646 14471.5428 236.3772 -203588.1078 2582.2381 0.0000 0.0000 51951.4927 -109737.5243 298.5659 -161689.0170 -109388.8502 298.8192 -144.4104 -113.2268 761212.1107 2.4016 2.4675 PRESSURE: 1157800 -370.227 -45.5991 160.495 -45.5997 -190.657 -113.534 160.495 -113.533 -415.565 GPRESSURE: 1157800 -381.087 -11.4447 119.751 -37.7704 -104.738 -189.004 97.9182 -150.574 -424.692 PRESSAVG: 1157800 -101.152 21.8817 -65.6527 21.8818 84.0281 10.0015 -65.6528 10.0015 -26.2668 GPRESSAVG: 1157800 -101.803 21.2077 -67.0144 21.7074 84.5528 9.14515 -64.9188 10.241 -26.6279 TIMING: 1157800 CPU: 3647.48, 0.00315886/step Wall: 3647.48, 0.00315886/step, 3.37138 hours remaining, 237.593750 MB of memory in use. ENERGY: 1157800 3960.8466 20619.1664 14437.4947 247.7957 -203641.1220 2572.6223 0.0000 0.0000 52107.1097 -109696.0867 299.4603 -161803.1964 -109348.2108 299.1726 -325.4828 -303.5056 761603.4883 -14.4636 -14.6260 PRESSURE: 1158000 -252.577 -8.60175 -125.387 -8.60262 229.393 -202.02 -125.387 -202.018 145.915 GPRESSURE: 1158000 -227.496 106.425 -119.625 88.5241 320.21 -120.039 -138.331 -183.516 122.733 PRESSAVG: 1158000 -14.661 10.2241 -40.077 10.2242 69.9952 48.8154 -40.077 48.8155 -15.5845 GPRESSAVG: 1158000 -15.6188 12.1135 -38.3778 10.8767 69.9144 49.3593 -38.8993 47.2865 -14.32 TIMING: 1158000 CPU: 3648.11, 0.00316697/step Wall: 3648.11, 0.00316697/step, 3.37986 hours remaining, 237.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1158000 3905.9706 20541.5786 14388.7373 229.9060 -203241.0440 2229.6646 0.0000 0.0000 52153.0212 -109792.1656 299.7241 -161945.1869 -109432.9174 298.8895 40.9101 71.8156 760248.1229 13.2499 13.3252 PRESSURE: 1158200 63.8337 41.5291 -138 41.5293 -289.123 265.659 -138 265.659 149.118 GPRESSURE: 1158200 65.6091 12.5014 -81.7804 60.905 -280.208 254.789 -195.265 66.0507 237.661 PRESSAVG: 1158200 -23.501 -17.5546 -7.31497 -17.5545 49.8805 -3.8682 -7.31502 -3.86814 -5.53706 GPRESSAVG: 1158200 -23.2449 -15.5887 -8.53478 -19.2055 49.6075 -3.36661 -8.31239 -4.48014 -5.5664 TIMING: 1158200 CPU: 3648.74, 0.00315751/step Wall: 3648.74, 0.00315751/step, 3.36959 hours remaining, 237.593750 MB of memory in use. ENERGY: 1158200 4033.4662 20433.2972 14385.2886 226.1248 -203552.5113 2659.3066 0.0000 0.0000 52038.0880 -109776.9398 299.0636 -161815.0278 -109411.7444 298.7325 -25.3902 7.6875 761860.6439 6.9475 6.9321 PRESSURE: 1158400 146.286 -145.081 -75.9621 -145.08 439.041 183.091 -75.9622 183.092 481.479 GPRESSURE: 1158400 243.701 -112.89 -14.4361 -167.962 453.285 59.7395 10.6417 212.531 470.18 PRESSAVG: 1158400 -7.71273 -11.2745 -25.3091 -11.2745 10.4386 28.6972 -25.3091 28.6972 7.45058 GPRESSAVG: 1158400 -6.74274 -13.764 -24.5978 -10.455 11.4946 29.2543 -25.0129 29.0251 5.78023 TIMING: 1158400 CPU: 3649.38, 0.00316669/step Wall: 3649.38, 0.00316669/step, 3.37921 hours remaining, 237.593750 MB of memory in use. ENERGY: 1158400 3964.2814 20558.6067 14366.3514 258.5199 -203801.2553 2958.5317 0.0000 0.0000 52162.0125 -109532.9517 299.7758 -161694.9642 -109162.4642 299.4836 355.6020 389.0555 759917.5360 3.3921 3.5107 PRESSURE: 1158600 -56.6785 74.8551 51.0572 74.8551 -105.519 -51.5657 51.0567 -51.5652 211.111 GPRESSURE: 1158600 -8.88176 6.87765 103.89 92.305 -18.2719 -14.5884 4.83335 -90.914 153.219 PRESSAVG: 1158600 -1.38711 -22.442 13.3917 -22.442 58.956 -40.2357 13.3917 -40.2357 14.5079 GPRESSAVG: 1158600 -1.42942 -21.8338 12.843 -24.9511 58.4669 -41.6672 13.727 -40.7208 14.6734 TIMING: 1158600 CPU: 3650.01, 0.00314724/step Wall: 3650.01, 0.00314724/step, 3.35828 hours remaining, 237.609375 MB of memory in use. ENERGY: 1158600 3947.6267 20477.5285 14466.9332 252.3746 -203365.5177 2541.7373 0.0000 0.0000 52239.2910 -109440.0264 300.2199 -161679.3174 -109064.0848 299.5608 16.3045 42.0217 759435.3568 24.0256 23.9036 PRESSURE: 1158800 214.206 -54.1645 130.479 -54.1639 26.5391 -43.2577 130.479 -43.2572 -64.0023 GPRESSURE: 1158800 276.668 49.9108 164.82 13.526 113.006 36.6085 181.974 7.96898 -132.657 PRESSAVG: 1158800 -21.5416 -4.8408 0.595228 -4.84077 34.4901 27.7189 0.595251 27.7189 6.43905 GPRESSAVG: 1158800 -23.7897 -3.94827 -0.199474 -3.98794 35.0369 28.4882 -0.0178682 27.0408 7.25682 TIMING: 1158800 CPU: 3650.64, 0.00316594/step Wall: 3650.64, 0.00316594/step, 3.37805 hours remaining, 237.609375 MB of memory in use. ENERGY: 1158800 4014.9807 20561.4635 14449.0579 258.6260 -203486.5777 2712.5661 0.0000 0.0000 52134.0915 -109355.7919 299.6153 -161489.8834 -108994.5525 299.8727 58.9141 85.6725 761138.6179 6.4625 6.1680 PRESSURE: 1159000 -264.144 -161.829 85.0344 -161.828 354.245 -63.2161 85.0346 -63.2152 43.9772 GPRESSURE: 1159000 -206.046 -173.015 53.0325 -229.009 296.567 -85.7936 -6.82325 -151.064 131.448 PRESSAVG: 1159000 -36.5283 5.83583 29.4083 5.83582 -3.69934 15.4736 29.4082 15.4737 -0.0194546 GPRESSAVG: 1159000 -35.6443 6.76865 28.8801 3.93468 -3.87276 15.1292 30.4723 17.1185 -1.05733 TIMING: 1159000 CPU: 3651.28, 0.00318137/step Wall: 3651.28, 0.00318137/step, 3.39435 hours remaining, 237.609375 MB of memory in use. ENERGY: 1159000 3947.1642 20587.2393 14428.7933 245.9663 -203844.6811 2673.0212 0.0000 0.0000 52445.8458 -109516.6510 301.4070 -161962.4968 -109141.2270 300.4399 44.6927 73.9896 760927.8979 -13.4157 -13.5248 PRESSURE: 1159200 78.3219 -167.7 55.6835 -167.7 -279.279 96.739 55.6845 96.7391 259.893 GPRESSURE: 1159200 46.5214 -188.989 152.28 -144.932 -167.766 197.96 115.353 162.955 256.376 PRESSAVG: 1159200 -50.4408 -3.70316 46.0919 -3.70317 50.004 -11.054 46.0918 -11.0539 6.25994 GPRESSAVG: 1159200 -50.9803 -4.62902 46.867 -3.10119 49.1344 -11.196 45.7979 -10.8906 7.16434 TIMING: 1159200 CPU: 3651.91, 0.0031764/step Wall: 3651.91, 0.0031764/step, 3.38887 hours remaining, 237.609375 MB of memory in use. ENERGY: 1159200 3953.4978 20616.5853 14488.2593 229.4012 -203089.7614 2306.1570 0.0000 0.0000 51945.8727 -109549.9882 298.5336 -161495.8609 -109189.0718 299.7545 19.6452 45.0438 762608.3897 1.9411 1.7728 PRESSURE: 1159400 180.437 -149.059 306.18 -149.059 151.364 -104.981 306.18 -104.982 19.5857 GPRESSURE: 1159400 112.236 -128.665 293.289 -134.061 266.313 -103.868 247.08 -88.235 55.7104 PRESSAVG: 1159400 9.64803 -36.6321 1.42849 -36.6321 6.66349 16.8565 1.42847 16.8565 8.43099 GPRESSAVG: 1159400 10.1549 -34.8663 1.72463 -36.2745 6.95022 18.3963 0.829501 14.752 7.67015 TIMING: 1159400 CPU: 3652.54, 0.00316078/step Wall: 3652.54, 0.00316078/step, 3.37203 hours remaining, 237.609375 MB of memory in use. ENERGY: 1159400 3970.3097 20591.5253 14367.3108 237.6237 -203623.0034 2852.2813 0.0000 0.0000 52164.5168 -109439.4357 299.7902 -161603.9526 -109072.8527 299.6935 117.1289 144.7533 761145.2559 8.2475 8.2584 PRESSURE: 1159600 -77.4417 -179.693 61.2704 -179.692 -92.1833 180.866 61.2706 180.866 251.663 GPRESSURE: 1159600 -62.5429 -56.2429 9.41172 -159.546 21.1083 89.7745 80.2088 243.948 206.49 PRESSAVG: 1159600 44.7411 -28.7339 -15.3965 -28.7339 -37.2245 -30.215 -15.3965 -30.215 1.06349 GPRESSAVG: 1159600 43.8884 -29.4835 -14.8051 -27.9258 -37.6548 -31.1818 -15.3324 -28.5552 2.11051 TIMING: 1159600 CPU: 3653.18, 0.00316198/step Wall: 3653.18, 0.00316198/step, 3.37313 hours remaining, 237.609375 MB of memory in use. ENERGY: 1159600 3962.4135 20638.1539 14457.6177 250.6433 -203854.2927 2868.9505 0.0000 0.0000 52382.5836 -109293.9302 301.0434 -161676.5138 -108927.2958 299.7079 27.3460 55.0183 761842.5740 2.8600 2.7814 PRESSURE: 1159800 64.9165 2.59797 -203.063 2.59754 360.477 128.014 -203.062 128.013 235.798 GPRESSURE: 1159800 127.066 -26.8311 -162.265 55.1773 359.082 109.737 -80.7438 52.7299 264.346 PRESSAVG: 1159800 54.3706 -26.2036 -8.63066 -26.2036 0.331983 3.45753 -8.63066 3.4575 2.42312 GPRESSAVG: 1159800 54.2891 -25.1414 -8.39652 -25.1209 1.05844 3.17895 -7.69412 2.38986 1.91003 TIMING: 1159800 CPU: 3653.81, 0.0031606/step Wall: 3653.81, 0.0031606/step, 3.37148 hours remaining, 237.609375 MB of memory in use. ENERGY: 1159800 3892.6587 20434.4526 14459.1727 241.7999 -203485.5999 2911.5221 0.0000 0.0000 52074.7481 -109471.2458 299.2743 -161545.9939 -109112.8644 300.0453 220.3974 250.1647 761690.8058 19.0419 19.0858 PRESSURE: 1160000 94.2511 129.776 -7.87468 129.776 -55.5738 70.9583 -7.87344 70.9577 25.1633 GPRESSURE: 1160000 58.8866 105.25 -73.7263 67.2149 8.00691 -59.7918 -82.6558 -73.4807 91.9812 PRESSAVG: 1160000 -50.97 -16.3 27.1348 -16.3 51.0099 -19.2648 27.1348 -19.2648 21.0109 GPRESSAVG: 1160000 -50.9931 -20.1978 26.2547 -15.8668 50.564 -19.4774 26.0625 -19.2598 21.0589 TIMING: 1160000 CPU: 3654.44, 0.00314846/step Wall: 3654.44, 0.00314846/step, 3.35836 hours remaining, 237.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1160000 3911.0253 20308.6684 14391.4766 239.3224 -203000.5790 2503.0359 0.0000 0.0000 51906.2876 -109740.7629 298.3061 -161647.0504 -109379.8716 298.8882 21.2802 52.9583 762529.4523 7.0169 6.8766 PRESSURE: 1160200 116.348 -36.4437 167.923 -36.4442 115.812 124.055 167.923 124.054 391.787 GPRESSURE: 1160200 129.213 3.21354 214.422 17.9943 199.91 86.4617 75.3343 176.999 381.289 PRESSAVG: 1160200 -3.1853 -36.3918 93.4516 -36.3918 -19.0201 -32.8671 93.4516 -32.8671 -9.13051 GPRESSAVG: 1160200 -4.99675 -34.3629 94.8207 -39.0318 -17.7541 -31.9628 94.6087 -32.5544 -8.41724 TIMING: 1160200 CPU: 3655.07, 0.00316674/step Wall: 3655.07, 0.00316673/step, 3.37767 hours remaining, 237.609375 MB of memory in use. ENERGY: 1160200 3939.6687 20610.7462 14409.6966 241.5140 -203340.5635 2445.0182 0.0000 0.0000 51964.5927 -109729.3271 298.6412 -161693.9198 -109367.8696 298.8296 207.9820 236.8038 762041.0449 -10.4453 -10.3894 LDB: ============= START OF LOAD BALANCING ============== 3667.47 LDB: ============== END OF LOAD BALANCING =============== 3667.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3667.47 LDB: ============= START OF LOAD BALANCING ============== 3667.79 LDB: Largest compute 7035 load 0.033031 is 16.9% of average load 0.195996 LDB: Average compute 0.004377 is 2.2% of average load 0.195996 LDB: TIME 3667.79 LOAD: AVG 0.195996 MAX 0.215605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.344 MB LDB: TIME 3667.79 LOAD: AVG 0.195996 MAX 0.215605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: TIME 3667.79 LOAD: AVG 0.195996 MAX 0.215605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: ============== END OF LOAD BALANCING =============== 3667.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3667.8 PRESSURE: 1160400 -248.688 -37.8482 0.965539 -37.8474 -149.504 41.6336 0.965284 41.6327 -329.108 GPRESSURE: 1160400 -171.181 65.3831 60.623 -204.124 -199.743 97.4243 -81.0704 39.5089 -269.76 PRESSAVG: 1160400 2.19415 22.1008 29.2321 22.1008 -18.8091 10.5321 29.2321 10.5321 -10.01 GPRESSAVG: 1160400 3.18819 22.5026 29.9901 23.1364 -20.4035 10.5698 27.6214 10.8153 -9.28806 TIMING: 1160400 CPU: 3655.72, 0.00323121/step Wall: 3655.72, 0.00323122/step, 3.44627 hours remaining, 237.832031 MB of memory in use. ENERGY: 1160400 3976.6498 20582.1914 14398.0216 243.5883 -203175.2084 2396.9405 0.0000 0.0000 51856.9653 -109720.8515 298.0227 -161577.8168 -109363.8991 298.6523 -242.4332 -213.5614 762546.0908 -8.8750 -8.8345 PRESSURE: 1160600 -45.768 -39.4372 120.526 -39.4377 159.739 35.9131 120.526 35.9134 345.945 GPRESSURE: 1160600 27.886 -56.9497 89.8648 -31.232 151.425 -57.458 153.282 -108.065 385.228 PRESSAVG: 1160600 -27.6634 -5.27478 14.1435 -5.27476 -62.7939 -49.9079 14.1435 -49.9079 -29.8794 GPRESSAVG: 1160600 -26.6547 -7.53078 12.267 -2.10996 -62.5482 -51.2533 12.0475 -49.5362 -31.4668 TIMING: 1160600 CPU: 3656.35, 0.00316747/step Wall: 3656.35, 0.00316747/step, 3.37811 hours remaining, 238.035156 MB of memory in use. ENERGY: 1160600 3903.4645 20586.8937 14406.6025 243.8199 -203496.7525 2543.6701 0.0000 0.0000 52036.1879 -109776.1139 299.0527 -161812.3018 -109413.2675 298.4403 153.3051 188.1800 760544.0901 -40.1122 -40.2233 PRESSURE: 1160800 334.109 95.7244 155.602 95.7238 474.427 73.1897 155.602 73.1901 453.957 GPRESSURE: 1160800 342.528 98.8084 207.01 109.867 541.978 147.973 10.4331 163.739 447.493 PRESSAVG: 1160800 -16.1926 1.64139 9.72222 1.64135 -29.1724 -16.0637 9.72225 -16.0637 -27.9628 GPRESSAVG: 1160800 -17.5603 4.15388 10.1639 -2.01581 -28.7407 -15.3847 10.9663 -17.3216 -27.1902 TIMING: 1160800 CPU: 3656.98, 0.00316328/step Wall: 3656.98, 0.00316328/step, 3.37346 hours remaining, 238.035156 MB of memory in use. ENERGY: 1160800 3950.1197 20501.1167 14381.0954 230.9863 -203612.7965 2923.7838 0.0000 0.0000 52036.8942 -109588.8004 299.0567 -161625.6946 -109204.9508 298.6645 420.8310 443.9995 760830.5806 -24.4426 -24.4971 PRESSURE: 1161000 93.6045 -223.828 48.7827 -223.828 -334.731 -39.4828 48.7822 -39.4826 277.702 GPRESSURE: 1161000 48.8115 -144.401 59.1097 -109.861 -228.493 -95.2418 -10.6344 26.8175 309.246 PRESSAVG: 1161000 -15.6604 -28.9888 33.4136 -28.9888 46.6475 -27.7701 33.4136 -27.7701 -12.5054 GPRESSAVG: 1161000 -15.4082 -30.5991 32.7022 -27.4083 46.4887 -28.5801 35.1424 -25.5332 -12.2001 TIMING: 1161000 CPU: 3657.62, 0.00318566/step Wall: 3657.62, 0.00318566/step, 3.39715 hours remaining, 238.035156 MB of memory in use. ENERGY: 1161000 4038.1804 20509.2431 14458.5634 242.7000 -202848.5343 2430.4710 0.0000 0.0000 51969.8476 -109199.5289 298.6714 -161169.3764 -108837.6230 299.0449 12.1918 43.1881 764596.4455 6.1606 6.2935 PRESSURE: 1161200 73.5957 0.731586 49.5614 0.73145 193.353 -54.9195 49.5607 -54.9187 -336.899 GPRESSURE: 1161200 144.989 -48.9384 88.5711 -89.3824 273.235 -150.247 121.06 -61.9135 -385.031 PRESSAVG: 1161200 38.8628 -4.41068 -0.761121 -4.41073 -10.9165 15.2482 -0.761218 15.2482 -11.8942 GPRESSAVG: 1161200 39.5367 -5.19192 1.64455 -3.3185 -10.9132 16.1165 -2.96844 14.2099 -11.9227 TIMING: 1161200 CPU: 3658.25, 0.00315245/step Wall: 3658.25, 0.00315245/step, 3.36156 hours remaining, 238.035156 MB of memory in use. ENERGY: 1161200 4036.7354 20490.2130 14419.1701 238.0870 -203629.2512 2905.0803 0.0000 0.0000 52020.3585 -109519.6069 298.9617 -161539.9654 -109151.3346 299.6699 -23.3167 11.0644 762031.4381 5.3507 5.5669 PRESSURE: 1161400 5.32454 -212.783 33.8267 -212.784 -281.51 26.5116 33.8262 26.5126 46.4807 GPRESSURE: 1161400 55.2153 -163.783 68.737 -105.099 -264.945 -28.1527 30.6672 -6.55163 52.5973 PRESSAVG: 1161400 -67.0687 -1.58947 39.7779 -1.58943 36.398 14.26 39.778 14.26 -22.087 GPRESSAVG: 1161400 -67.2861 -0.219607 36.9814 -3.34884 35.2369 15.0031 42.7744 15.7008 -20.3354 TIMING: 1161400 CPU: 3658.89, 0.00317234/step Wall: 3658.89, 0.00317235/step, 3.3826 hours remaining, 238.035156 MB of memory in use. ENERGY: 1161400 3954.3122 20615.4183 14428.1310 242.9176 -203215.0136 2502.7374 0.0000 0.0000 52205.9218 -109265.5753 300.0282 -161471.4971 -108909.3187 300.0801 -76.5684 -52.3775 761820.0827 -17.5859 -17.4615 PRESSURE: 1161600 292.056 212.374 194.291 212.374 183.912 -280.525 194.291 -280.523 285.199 GPRESSURE: 1161600 291.221 196.498 158.583 235.133 224.952 -265.836 -12.2532 -262.792 341.541 PRESSAVG: 1161600 64.8699 14.4122 45.2474 14.4122 -67.0025 -3.42636 45.2474 -3.42637 6.36641 GPRESSAVG: 1161600 64.2394 13.2022 45.4767 17.1496 -66.8529 -4.14803 43.2057 -4.24362 6.61352 TIMING: 1161600 CPU: 3659.51, 0.00314512/step Wall: 3659.51, 0.00314512/step, 3.3534 hours remaining, 238.035156 MB of memory in use. ENERGY: 1161600 4052.6911 20608.8470 14380.8472 253.1443 -203364.7787 2693.0074 0.0000 0.0000 52196.3279 -109179.9138 299.9730 -161376.2417 -108818.1190 300.1856 253.7224 285.9046 761169.3879 1.4113 1.3333 PRESSURE: 1161800 19.0132 -103.963 -53.2358 -103.963 -66.2536 199.53 -53.235 199.529 -57.4109 GPRESSURE: 1161800 91.0147 -194.602 -17.8695 -208.112 -32.3931 232.35 -57.7497 94.8415 -72.9782 PRESSAVG: 1161800 28.54 -12.131 5.21494 -12.131 -36.4363 31.6997 5.21498 31.6997 35.0163 GPRESSAVG: 1161800 29.7105 -11.5965 7.16851 -14.4096 -34.8099 29.9093 4.80481 33.3866 32.6382 TIMING: 1161800 CPU: 3660.14, 0.00313672/step Wall: 3660.14, 0.00313672/step, 3.34427 hours remaining, 238.035156 MB of memory in use. ENERGY: 1161800 4029.3398 20644.3016 14421.4137 252.0333 -203093.1291 2374.7325 0.0000 0.0000 52250.6154 -109120.6929 300.2850 -161371.3083 -108762.9570 300.2567 -34.8838 -4.7855 761197.2142 9.0400 9.1796 PRESSURE: 1162000 -18.5797 -146.902 -79.761 -146.902 -324.552 88.5557 -79.7601 88.5568 184.581 GPRESSURE: 1162000 13.9725 -175.05 -127.777 -236.883 -380.945 -16.5594 -117.283 44.2388 287.399 PRESSAVG: 1162000 60.3668 -18.9363 -22.4532 -18.9363 -68.6935 -46.9504 -22.4532 -46.9504 -5.65706 GPRESSAVG: 1162000 60.5392 -20.2152 -23.1064 -18.0897 -69.3894 -43.7097 -20.9142 -50.424 -5.0147 TIMING: 1162000 CPU: 3660.77, 0.00314059/step Wall: 3660.77, 0.00314058/step, 3.34821 hours remaining, 238.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1162000 3997.9345 20830.8763 14467.1967 261.2030 -203208.9099 2525.7215 0.0000 0.0000 51972.9946 -109152.9834 298.6895 -161125.9780 -108797.9456 300.6325 -52.8501 -26.5244 760982.1652 -4.6612 -4.6216 PRESSURE: 1162200 22.1605 -79.2209 -303.561 -79.2195 -44.5443 -141.214 -303.561 -141.214 116.314 GPRESSURE: 1162200 59.1584 -58.68 -288.138 -53.8457 10.4469 -123.718 -275.641 -135.069 75.2467 PRESSAVG: 1162200 73.2365 -8.89307 -16.5788 -8.89307 -4.4888 11.1168 -16.5789 11.1168 24.8937 GPRESSAVG: 1162200 72.244 -7.14319 -17.6629 -11.2826 -4.1462 9.8915 -17.6019 13.6992 24.8425 TIMING: 1162200 CPU: 3661.4, 0.00316167/step Wall: 3661.4, 0.00316168/step, 3.37052 hours remaining, 238.035156 MB of memory in use. ENERGY: 1162200 3965.6713 20555.5707 14368.9386 240.9117 -202983.7144 2353.1055 0.0000 0.0000 52196.9519 -109302.5646 299.9766 -161499.5165 -108932.0780 299.8146 31.3102 48.2840 761511.0805 31.2138 30.9801 PRESSURE: 1162400 68.2384 16.3001 -52.5945 16.2993 206.259 310.112 -52.5949 310.113 103.98 GPRESSURE: 1162400 35.2718 -7.08947 -48.1898 79.0433 239.979 339.784 -41.4221 295.976 190.161 PRESSAVG: 1162400 -0.777623 -45.8114 -13.6566 -45.8115 -42.5386 2.20859 -13.6566 2.2085 -4.21549 GPRESSAVG: 1162400 -1.64529 -46.6484 -12.6639 -45.007 -43.0722 2.21403 -13.8364 1.53596 -3.48804 TIMING: 1162400 CPU: 3662.04, 0.00317485/step Wall: 3662.04, 0.00317485/step, 3.38439 hours remaining, 238.035156 MB of memory in use. ENERGY: 1162400 3991.8047 20696.4909 14442.2966 264.3997 -203394.8598 2697.4598 0.0000 0.0000 51914.8665 -109387.5418 298.3555 -161302.4082 -109035.4851 299.7562 126.1591 155.1372 760275.6213 -15.8439 -16.0685 PRESSURE: 1162600 59.2166 -20.8512 96.9006 -20.8518 82.477 -130.605 96.9003 -130.606 -65.4914 GPRESSURE: 1162600 31.0274 -4.05255 83.9367 -79.1037 131.31 -64.864 133.309 -177.399 -9.45686 PRESSAVG: 1162600 0.209431 -20.6013 20.5963 -20.6013 -56.0255 15.1671 20.5963 15.167 -10.8707 GPRESSAVG: 1162600 1.16298 -19.5808 18.7839 -20.3453 -56.6317 14.3926 21.4763 16.2175 -11.2297 TIMING: 1162600 CPU: 3662.67, 0.00315692/step Wall: 3662.67, 0.00315692/step, 3.3651 hours remaining, 238.035156 MB of memory in use. ENERGY: 1162600 4029.2438 20626.3914 14387.5454 224.7741 -203268.9165 2384.8586 0.0000 0.0000 52153.3558 -109462.7474 299.7261 -161616.1032 -109107.8397 299.3192 25.4007 50.9602 762501.4756 -22.2289 -22.2328 PRESSURE: 1162800 64.2277 -145.486 192.996 -145.486 40.1367 -41.2922 192.996 -41.2925 -50.1062 GPRESSURE: 1162800 1.54871 -96.88 220.341 -150.591 82.4687 92.3378 186.287 -66.9226 51.4107 PRESSAVG: 1162800 65.1284 22.7396 -20.6961 22.7397 -27.5536 -20.4821 -20.6961 -20.4822 1.34507 GPRESSAVG: 1162800 64.6721 22.4081 -20.28 22.7659 -27.6764 -18.6762 -20.9511 -20.3334 1.82493 TIMING: 1162800 CPU: 3663.3, 0.00315417/step Wall: 3663.3, 0.00315417/step, 3.362 hours remaining, 238.035156 MB of memory in use. ENERGY: 1162800 4023.1769 20491.4669 14366.4390 239.1364 -203448.6198 2515.4756 0.0000 0.0000 52346.7808 -109466.1443 300.8377 -161812.9251 -109099.1249 299.5507 18.0861 45.1427 760199.5630 12.9733 12.9402 PRESSURE: 1163000 192.969 67.4671 150.54 67.4667 -248.465 66.0468 150.539 66.0465 -84.5004 GPRESSURE: 1163000 166.498 28.1012 201.484 60.1921 -173.656 53.1125 62.0343 15.471 -51.0704 PRESSAVG: 1163000 11.0017 -7.02646 -76.9008 -7.02648 -12.6735 23.2794 -76.9008 23.2794 3.02775 GPRESSAVG: 1163000 11.1079 -7.18562 -75.5499 -7.88071 -12.0333 21.3053 -77.6038 21.4087 2.70929 TIMING: 1163000 CPU: 3663.93, 0.00315736/step Wall: 3663.93, 0.00315736/step, 3.36522 hours remaining, 238.035156 MB of memory in use. ENERGY: 1163000 3947.1455 20453.4324 14430.8047 259.5890 -203302.1694 2389.3227 0.0000 0.0000 52349.9906 -109471.8845 300.8561 -161821.8752 -109109.2512 299.7600 -46.6654 -19.4097 761316.0551 0.4520 0.5946 PRESSURE: 1163200 -90.411 -124.084 -12.4254 -124.084 -103.538 155.846 -12.4261 155.846 78.6681 GPRESSURE: 1163200 -35.0752 95.1785 21.2725 -162.621 -82.53 187.719 -3.24299 143.185 89.1312 PRESSAVG: 1163200 42.2794 -35.8796 44.0219 -35.8797 -54.9934 -5.44387 44.0219 -5.44394 3.13712 GPRESSAVG: 1163200 42.9111 -36.4596 43.3497 -35.4031 -56.4993 -4.93475 43.2917 -4.58213 4.23362 TIMING: 1163200 CPU: 3664.56, 0.00316461/step Wall: 3664.56, 0.00316461/step, 3.37277 hours remaining, 238.035156 MB of memory in use. ENERGY: 1163200 4004.9303 20633.2171 14399.7309 267.9026 -203249.3985 2350.3107 0.0000 0.0000 52125.1292 -109468.1776 299.5638 -161593.3068 -109103.0470 299.6317 -38.4268 -9.4914 762375.9677 -3.1923 -3.1182 PRESSURE: 1163400 311.697 44.8255 216.008 44.8254 130.762 -160.592 216.008 -160.592 -83.4564 GPRESSURE: 1163400 310.988 11.9427 192.048 57.853 179.61 -109.499 253.467 -68.5314 -41.5738 PRESSAVG: 1163400 7.50525 -38.289 28.0782 -38.289 2.50409 11.4826 28.0782 11.4825 6.78794 GPRESSAVG: 1163400 6.18418 -37.9443 28.4848 -37.1349 3.47075 11.4309 28.4142 10.7517 7.42441 TIMING: 1163400 CPU: 3665.2, 0.00316401/step Wall: 3665.2, 0.00316401/step, 3.37195 hours remaining, 238.035156 MB of memory in use. ENERGY: 1163400 4018.6690 20494.0457 14292.3517 223.4417 -203344.6570 2622.6017 0.0000 0.0000 52138.9816 -109554.5655 299.6434 -161693.5472 -109178.8335 299.3984 119.6674 149.6750 763652.6329 5.5991 5.6931 PRESSURE: 1163600 366.982 21.9953 -100.855 21.9944 149.441 111.843 -100.855 111.844 368.31 GPRESSURE: 1163600 331.838 19.2147 26.2495 3.22013 211.494 137.444 -157.223 50.189 419.125 PRESSAVG: 1163600 -19.0277 -0.751338 -19.2162 -0.751336 0.322975 37.7859 -19.2162 37.7859 -23.0738 GPRESSAVG: 1163600 -18.4488 1.53925 -19.0002 -3.74049 0.727338 38.9862 -19.7128 38.1767 -24.3101 TIMING: 1163600 CPU: 3665.83, 0.00317205/step Wall: 3665.83, 0.00317205/step, 3.38034 hours remaining, 238.035156 MB of memory in use. ENERGY: 1163600 3887.4768 20556.2739 14372.4032 235.2981 -203171.2545 2409.9417 0.0000 0.0000 52014.2256 -109695.6351 298.9265 -161709.8607 -109332.8310 298.7643 294.9112 320.8192 761094.2220 -13.9262 -14.0105 PRESSURE: 1163800 247.664 -46.6008 -54.1465 -46.6011 63.5831 -132.377 -54.1473 -132.376 11.4784 GPRESSURE: 1163800 289.448 -74.7179 -17.9041 -163.647 21.9782 -116.332 -57.7577 -89.9936 104.837 PRESSAVG: 1163800 -24.9522 -26.1636 -56.5734 -26.1635 -7.33263 36.9802 -56.5735 36.9802 15.8658 GPRESSAVG: 1163800 -24.2276 -27.8874 -56.527 -25.4114 -8.31916 33.8002 -57.1772 38.3325 15.7627 TIMING: 1163800 CPU: 3666.46, 0.00316138/step Wall: 3666.46, 0.00316138/step, 3.36881 hours remaining, 238.035156 MB of memory in use. ENERGY: 1163800 3915.2669 20542.4371 14458.9033 263.9081 -203189.1191 2380.0319 0.0000 0.0000 52215.3964 -109413.1754 300.0826 -161628.5718 -109054.0810 299.3854 107.5753 138.7542 759293.4366 -5.4730 -5.5947 PRESSURE: 1164000 -231.084 143.144 -95.4408 143.144 -486.206 -80.9593 -95.4401 -80.9584 -171.221 GPRESSURE: 1164000 -177.466 167.499 -89.0622 163.679 -434.819 -75.9735 -98.2228 -57.3526 -174.251 PRESSAVG: 1164000 34.8581 6.48458 -34.0758 6.48458 -70.4349 -5.10054 -34.0757 -5.10055 -10.632 GPRESSAVG: 1164000 34.8593 6.69529 -33.9614 8.78003 -69.7952 -1.60608 -31.8542 -8.49881 -11.3235 TIMING: 1164000 CPU: 3667.1, 0.00317201/step Wall: 3667.1, 0.00317201/step, 3.37996 hours remaining, 238.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1164000 4061.5033 20523.5673 14431.5911 271.4521 -203085.1142 2267.8656 0.0000 0.0000 52116.9498 -109412.1850 299.5168 -161529.1347 -109054.3316 299.7042 -296.1705 -262.1788 761620.4401 -15.4029 -15.4198 PRESSURE: 1164200 115.627 -332.248 39.4185 -332.247 -49.5342 -131.948 39.4181 -131.948 -384.557 GPRESSURE: 1164200 192.518 -279.901 -30.9018 -294.569 -58.5133 -102.926 4.02119 -132.135 -360.105 PRESSAVG: 1164200 43.2525 -7.21553 -4.46175 -7.21552 -13.7918 48.5421 -4.46175 48.5421 -2.82619 GPRESSAVG: 1164200 43.4353 -7.06289 -4.72736 -7.97285 -14.0393 46.1509 -6.3433 51.3354 -2.76492 TIMING: 1164200 CPU: 3667.73, 0.00317261/step Wall: 3667.73, 0.00317261/step, 3.38042 hours remaining, 238.035156 MB of memory in use. ENERGY: 1164200 3962.8960 20579.1678 14333.0983 249.0914 -203271.1115 2543.0546 0.0000 0.0000 52219.4851 -109384.3183 300.1061 -161603.8034 -109022.9039 299.7889 -106.1547 -75.3666 760705.3235 8.8782 8.8770 LDB: ============= START OF LOAD BALANCING ============== 3680.13 LDB: ============== END OF LOAD BALANCING =============== 3680.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3680.14 LDB: ============= START OF LOAD BALANCING ============== 3680.45 LDB: Largest compute 7026 load 0.033079 is 16.9% of average load 0.195942 LDB: Average compute 0.004348 is 2.2% of average load 0.195942 LDB: TIME 3680.46 LOAD: AVG 0.195942 MAX 0.215573 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.832 MB LDB: TIME 3680.46 LOAD: AVG 0.195942 MAX 0.215573 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.832 MB LDB: TIME 3680.46 LOAD: AVG 0.195942 MAX 0.215573 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.832 MB LDB: ============== END OF LOAD BALANCING =============== 3680.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3680.46 PRESSURE: 1164400 69.6104 80.7356 138.575 80.7362 -47.2669 -234.014 138.575 -234.013 -35.6162 GPRESSURE: 1164400 121.385 84.1832 98.9334 49.9168 -105.475 -203.305 180.587 -247.58 48.2834 PRESSAVG: 1164400 55.7102 -56.0427 4.44443 -56.0427 -80.941 -7.16382 4.4444 -7.16386 2.50498 GPRESSAVG: 1164400 55.4727 -54.8025 2.17143 -57.6079 -81.5558 -6.73008 8.07566 -7.58124 3.97806 TIMING: 1164400 CPU: 3668.38, 0.00324478/step Wall: 3668.38, 0.00324477/step, 3.45713 hours remaining, 237.832031 MB of memory in use. ENERGY: 1164400 3881.7883 20510.6660 14377.4032 272.6047 -203156.3328 2549.2468 0.0000 0.0000 51954.9447 -109609.6790 298.5858 -161564.6238 -109244.2668 299.3901 -4.4243 21.3978 761271.0285 -7.5753 -7.3684 PRESSURE: 1164600 -167.256 -358.109 92.6678 -358.109 -302.788 -311.162 92.6687 -311.162 -66.9619 GPRESSURE: 1164600 -241.311 -352.083 135.819 -386.843 -202.5 -260.579 23.9472 -362.669 -3.79436 PRESSAVG: 1164600 62.3352 4.07627 -12.0395 4.07628 -66.2893 9.55493 -12.0394 9.55481 -5.17676 GPRESSAVG: 1164600 62.7725 1.56202 -9.72163 6.35054 -66.6944 9.24375 -14.6425 9.51888 -5.1896 TIMING: 1164600 CPU: 3669.01, 0.00316389/step Wall: 3669.01, 0.00316389/step, 3.37077 hours remaining, 237.832031 MB of memory in use. ENERGY: 1164600 3978.0948 20566.8659 14388.4351 262.9622 -203273.3271 2691.4658 0.0000 0.0000 51905.7955 -109479.7076 298.3033 -161385.5031 -109121.7106 299.2745 -179.0019 -149.2018 761473.0629 -3.0436 -3.0372 PRESSURE: 1164800 267.557 -115.624 -174.652 -115.624 -85.1584 24.8992 -174.651 24.8993 466.188 GPRESSURE: 1164800 253.119 -22.1993 -106.66 -104.806 31.3715 6.27459 -174.371 61.5634 461.339 PRESSAVG: 1164800 13.2474 10.2774 11.3625 10.2775 37.5452 -24.0232 11.3625 -24.0232 25.9195 GPRESSAVG: 1164800 13.5445 13.4649 11.0635 10.015 39.2754 -24.1562 11.1002 -23.9945 23.7713 TIMING: 1164800 CPU: 3669.65, 0.0031597/step Wall: 3669.65, 0.00315971/step, 3.36614 hours remaining, 237.832031 MB of memory in use. ENERGY: 1164800 3961.8550 20507.2414 14467.2710 230.2373 -202814.6083 2455.6310 0.0000 0.0000 51643.1499 -109549.2228 296.7939 -161192.3727 -109192.9356 299.6500 216.1955 248.6099 761556.8620 25.5707 25.5304 PRESSURE: 1165000 -302.333 -21.0128 -133.154 -21.0127 -357.832 307.437 -133.153 307.436 134.376 GPRESSURE: 1165000 -298.145 -32.7994 -17.929 18.9949 -343.717 362.464 -174.09 187.652 181.564 PRESSAVG: 1165000 6.13218 22.43 -33.1501 22.43 -1.51415 18.1559 -33.1501 18.1559 5.00581 GPRESSAVG: 1165000 6.22347 19.3221 -32.5389 22.1999 -3.53711 17.3225 -32.2739 19.3315 6.80273 TIMING: 1165000 CPU: 3670.28, 0.00315498/step Wall: 3670.28, 0.00315498/step, 3.36093 hours remaining, 237.832031 MB of memory in use. ENERGY: 1165000 3960.4853 20435.1132 14438.5135 236.6247 -203090.4023 2432.1509 0.0000 0.0000 52038.3902 -109549.1244 299.0653 -161587.5146 -109189.9553 298.9048 -175.2631 -153.4329 761371.7373 3.2079 3.1630 PRESSURE: 1165200 201.5 -128.687 117.532 -128.686 -46.1265 -40.1551 117.532 -40.1549 85.0801 GPRESSURE: 1165200 266.676 -106.437 182.942 -47.7105 -66.3282 -40.0218 118.897 9.55234 128.103 PRESSAVG: 1165200 -7.73534 -17.1117 -16.5145 -17.1117 -1.56003 -12.2218 -16.5145 -12.2218 16.9113 GPRESSAVG: 1165200 -7.76315 -17.185 -16.4453 -17.5698 -0.932969 -10.3595 -16.6208 -12.5138 16.8366 TIMING: 1165200 CPU: 3670.91, 0.00314645/step Wall: 3670.91, 0.00314645/step, 3.35167 hours remaining, 237.832031 MB of memory in use. ENERGY: 1165200 4020.4344 20548.0711 14402.8522 236.1028 -203101.2267 2622.2515 0.0000 0.0000 51847.5188 -109423.9959 297.9684 -161271.5147 -109069.8762 299.1744 80.1511 109.4836 762013.6168 2.5386 2.7135 PRESSURE: 1165400 439.139 206.645 170.245 206.644 -21.6248 -135.992 170.246 -135.994 -135.828 GPRESSURE: 1165400 444.664 238.049 240.449 119.129 -39.1947 -96.6333 325.402 -165.507 -17.8884 PRESSAVG: 1165400 3.99752 -13.5745 20.4135 -13.5746 -16.0877 22.9758 20.4135 22.9757 31.1885 GPRESSAVG: 1165400 4.28769 -12.0437 20.1242 -14.6874 -16.4679 22.8373 21.6282 21.4599 30.9976 TIMING: 1165400 CPU: 3671.54, 0.00316393/step Wall: 3671.54, 0.00316393/step, 3.37011 hours remaining, 237.832031 MB of memory in use. ENERGY: 1165400 4013.4561 20430.1127 14482.7831 257.3074 -203325.0051 2655.5599 0.0000 0.0000 51921.8642 -109563.9217 298.3957 -161485.7859 -109196.4364 299.1211 93.8955 129.1937 760996.6920 6.3661 6.2724 PRESSURE: 1165600 -73.9787 -315.023 46.1368 -315.023 175.719 114.307 46.1361 114.306 -181.143 GPRESSURE: 1165600 -90.6599 -206.592 1.01117 -347.535 226.713 50.915 64.2528 225.387 -129.268 PRESSAVG: 1165600 21.1002 -17.4283 24.2536 -17.4283 -24.3913 -59.9449 24.2537 -59.9449 7.72616 GPRESSAVG: 1165600 21.243 -19.7551 25.083 -16.8757 -23.815 -61.5013 20.4981 -58.415 7.60272 TIMING: 1165600 CPU: 3672.17, 0.00316338/step Wall: 3672.17, 0.00316337/step, 3.36935 hours remaining, 237.832031 MB of memory in use. ENERGY: 1165600 4001.9243 20485.8977 14346.4600 237.9902 -203242.1417 2561.5647 0.0000 0.0000 52112.2321 -109496.0728 299.4897 -161608.3049 -109135.6807 299.3396 -26.4679 2.2618 762224.2561 1.4784 1.6769 PRESSURE: 1165800 347.752 -55.5564 10.3137 -55.556 282.114 -161.408 10.3136 -161.408 299.658 GPRESSURE: 1165800 342.05 -144.493 51.9903 -90.4972 397.395 -189.658 -14.1709 -87.2304 270.399 PRESSAVG: 1165800 -37.8203 -45.7194 -15.1662 -45.7194 43.9057 33.7242 -15.1662 33.7243 -12.5011 GPRESSAVG: 1165800 -39.0153 -45.5418 -17.258 -45.3768 44.5603 35.2534 -13.3103 33.9531 -12.1446 TIMING: 1165800 CPU: 3672.8, 0.00316522/step Wall: 3672.8, 0.00316522/step, 3.37114 hours remaining, 237.832031 MB of memory in use. ENERGY: 1165800 3926.3477 20647.6091 14371.8756 242.1029 -203636.3010 2836.8209 0.0000 0.0000 52117.1727 -109494.3721 299.5181 -161611.5448 -109137.3787 299.2622 309.8416 336.6149 761273.4801 -2.1386 -2.1999 PRESSURE: 1166000 -205.024 30.5702 87.8818 30.57 -15.7072 -127.283 87.8815 -127.282 101.452 GPRESSURE: 1166000 -93.2377 85.2511 101.09 -13.3924 -1.18987 -153.825 161.819 -140.736 50.0463 PRESSAVG: 1166000 2.66813 -32.1995 4.21073 -32.1995 -3.20766 -5.75971 4.21073 -5.7597 -7.90144 GPRESSAVG: 1166000 3.84402 -32.7965 5.02002 -31.2679 -3.21448 -4.90268 4.26769 -7.43892 -8.92945 TIMING: 1166000 CPU: 3673.44, 0.00316839/step Wall: 3673.44, 0.00316839/step, 3.37433 hours remaining, 237.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1166000 3965.5815 20488.2742 14429.9664 256.9901 -203667.0614 2752.7268 0.0000 0.0000 52021.5317 -109751.9907 298.9685 -161773.5224 -109383.9736 299.0869 -39.7596 -14.7938 760637.1750 -2.8137 -2.7666 PRESSURE: 1166200 -36.2594 -43.4971 25.2658 -43.4971 -336.926 -106.09 25.2662 -106.091 -287.01 GPRESSURE: 1166200 -1.44629 94.7962 90.8663 -35.2043 -342.957 -86.406 105.299 -129.224 -242.822 PRESSAVG: 1166200 44.3865 -12.0202 24.4099 -12.0203 -11.0737 -28.5511 24.4099 -28.551 18.8963 GPRESSAVG: 1166200 42.5859 -12.1246 23.3272 -13.1497 -11.3678 -28.3812 24.873 -28.3968 20.6087 TIMING: 1166200 CPU: 3674.07, 0.00315341/step Wall: 3674.07, 0.00315341/step, 3.3582 hours remaining, 237.832031 MB of memory in use. ENERGY: 1166200 4003.9893 20519.9702 14434.9222 241.9883 -203531.7373 2614.2024 0.0000 0.0000 51881.7935 -109834.8714 298.1654 -161716.6649 -109474.0209 298.8938 -220.0650 -195.7417 761472.9987 17.4030 17.2756 PRESSURE: 1166400 154.268 -3.70129 -19.0983 -3.7009 368.511 -243.543 -19.0979 -243.543 176.028 GPRESSURE: 1166400 253.159 10.0253 4.86247 -28.0982 289.535 -152.107 23.7871 -60.765 240.16 PRESSAVG: 1166400 52.9025 -15.9244 21.9508 -15.9244 -72.0711 8.17612 21.9508 8.17612 5.55264 GPRESSAVG: 1166400 53.4782 -14.2973 24.7032 -14.9846 -72.6246 6.876 21.8086 9.3695 5.41277 TIMING: 1166400 CPU: 3674.7, 0.00315342/step Wall: 3674.7, 0.00315341/step, 3.35804 hours remaining, 237.832031 MB of memory in use. ENERGY: 1166400 3968.9459 20353.2232 14426.7552 237.0336 -203339.5841 2347.7239 0.0000 0.0000 52221.6504 -109784.2519 300.1185 -162005.9023 -109421.1401 298.7659 232.9354 260.9511 762107.9465 -4.5387 -4.5779 PRESSURE: 1166600 141.11 -73.8923 -79.4911 -73.8925 -79.8812 193.468 -79.4915 193.469 193.463 GPRESSURE: 1166600 144.881 -78.2483 -98.2227 -75.24 -49.8772 73.2439 -65.1205 114.978 237.094 PRESSAVG: 1166600 3.10163 47.2924 2.27919 47.2924 -52.7285 -66.679 2.27915 -66.6789 -22.3031 GPRESSAVG: 1166600 4.09281 46.4818 1.67057 46.3978 -52.5272 -69.7165 0.830067 -65.2373 -23.5685 TIMING: 1166600 CPU: 3675.33, 0.00316181/step Wall: 3675.33, 0.00316181/step, 3.3668 hours remaining, 237.832031 MB of memory in use. ENERGY: 1166600 3948.9692 20518.8218 14430.2356 238.9954 -203404.1265 2608.7709 0.0000 0.0000 52026.9843 -109631.3493 298.9998 -161658.3336 -109279.0091 299.1392 84.8972 110.6993 762360.7034 -23.9767 -24.0010 PRESSURE: 1166800 -67.2674 -5.4683 -166.938 -5.46908 -9.02976 -210.888 -166.938 -210.888 -484.823 GPRESSURE: 1166800 8.27316 -84.1755 -121.359 4.45922 2.3308 -273.899 -93.1861 -27.1877 -473.237 PRESSAVG: 1166800 22.2027 16.4403 -6.08816 16.4402 11.0607 -30.0873 -6.08821 -30.0874 -17.3718 GPRESSAVG: 1166800 21.4816 16.2794 -6.505 15.7201 11.2313 -28.0686 -6.17283 -31.3989 -16.8766 TIMING: 1166800 CPU: 3675.96, 0.00315566/step Wall: 3675.96, 0.00315566/step, 3.36007 hours remaining, 237.832031 MB of memory in use. ENERGY: 1166800 4030.0224 20502.1592 14366.6533 237.4208 -203254.5433 2290.6276 0.0000 0.0000 52060.9885 -109766.6715 299.1952 -161827.6600 -109397.7814 298.6648 -187.0402 -154.2109 761760.9231 5.2972 5.2787 PRESSURE: 1167000 382.701 -40.9632 -233.963 -40.9638 394.837 105.626 -233.963 105.626 211.489 GPRESSURE: 1167000 383.902 -33.8326 -175.19 -34.913 452.58 144.705 -256.936 79.5237 228.518 PRESSAVG: 1167000 -60.9942 -49.8157 30.1185 -49.8157 -9.22966 51.0054 30.1185 51.0054 -1.53708 GPRESSAVG: 1167000 -60.7586 -50.757 30.3825 -49.1267 -10.0553 51.6984 28.3441 50.9609 -1.79905 TIMING: 1167000 CPU: 3676.59, 0.00314302/step Wall: 3676.59, 0.00314303/step, 3.34645 hours remaining, 237.832031 MB of memory in use. ENERGY: 1167000 3923.5844 20514.0874 14412.3286 247.2033 -203680.1620 2813.4745 0.0000 0.0000 51980.0194 -109789.4644 298.7299 -161769.4838 -109435.7678 298.5875 329.6755 354.9998 760056.7585 -23.9203 -24.2043 PRESSURE: 1167200 -11.0607 68.2096 -154.992 68.2101 83.3953 -30.7318 -154.992 -30.7316 32.1278 GPRESSURE: 1167200 7.15738 0.282953 -53.2655 -90.8426 188.668 0.71762 -210.093 -167.126 -21.5587 PRESSAVG: 1167200 42.1938 -43.7395 -34.2282 -43.7395 -21.6252 39.4384 -34.2283 39.4385 1.97707 GPRESSAVG: 1167200 41.1941 -43.497 -34.7349 -44.306 -21.2107 38.6289 -30.8388 38.0521 1.82375 TIMING: 1167200 CPU: 3677.22, 0.00315985/step Wall: 3677.22, 0.00315985/step, 3.36419 hours remaining, 237.832031 MB of memory in use. ENERGY: 1167200 3902.1417 20674.8065 14396.9628 261.1902 -202946.7436 2235.2768 0.0000 0.0000 51851.5770 -109624.7886 297.9917 -161476.3656 -109271.0858 299.2766 34.8208 58.0890 761553.1869 7.5152 7.2691 PRESSURE: 1167400 125.349 -74.8283 199.014 -74.8287 301.262 -85.8542 199.014 -85.8543 165.178 GPRESSURE: 1167400 106.729 -15.1056 224.513 -86.0547 273.748 -16.5168 71.1752 65.6407 303.043 PRESSAVG: 1167400 22.5209 -18.9972 13.5004 -18.9972 40.9077 11.8783 13.5004 11.8783 16.5833 GPRESSAVG: 1167400 22.6703 -18.5688 13.4111 -18.948 40.3362 12.3749 12.494 11.8413 16.6111 TIMING: 1167400 CPU: 3677.85, 0.00314252/step Wall: 3677.85, 0.00314252/step, 3.34556 hours remaining, 237.832031 MB of memory in use. ENERGY: 1167400 3972.2385 20600.4901 14408.3574 241.1386 -203504.0983 2682.2860 0.0000 0.0000 52297.6314 -109301.9563 300.5552 -161599.5877 -108938.8809 299.8005 197.2631 227.8402 759509.1349 26.6706 26.5392 PRESSURE: 1167600 92.6773 193.491 -129.139 193.491 -95.6701 65.7224 -129.139 65.723 -18.3766 GPRESSURE: 1167600 65.6838 231.769 -140.959 310.04 2.7079 -15.5094 6.70238 63.5995 -0.345431 PRESSAVG: 1167600 -8.63185 -4.48177 19.3329 -4.48177 11.8481 37.0493 19.3328 37.0492 -3.58127 GPRESSAVG: 1167600 -8.52191 -3.49768 19.2849 -4.97303 11.3163 37.0949 20.4573 36.3218 -3.74493 TIMING: 1167600 CPU: 3678.48, 0.00316201/step Wall: 3678.48, 0.00316201/step, 3.36613 hours remaining, 237.832031 MB of memory in use. ENERGY: 1167600 3968.8612 20494.8191 14342.0181 242.8470 -202887.9596 2401.9252 0.0000 0.0000 52142.2370 -109295.2519 299.6622 -161437.4890 -108928.3928 300.1057 -7.1231 22.6821 763176.3388 -0.1217 -0.3169 PRESSURE: 1167800 -224.103 -262.984 -315.875 -262.985 -376.12 -26.5967 -315.874 -26.5968 -208.361 GPRESSURE: 1167800 -208.295 -153.492 -283.268 -163.793 -216.353 -38.0534 -291.009 49.1538 -285.841 PRESSAVG: 1167800 -11.2674 -8.34986 8.65771 -8.34989 -11.3667 20.8804 8.65775 20.8804 20.1785 GPRESSAVG: 1167800 -11.9177 -5.51341 7.7029 -9.55637 -11.2657 20.4167 6.95617 22.922 21.3382 TIMING: 1167800 CPU: 3679.11, 0.00313844/step Wall: 3679.11, 0.00313844/step, 3.34087 hours remaining, 237.832031 MB of memory in use. ENERGY: 1167800 4023.8879 20397.6538 14343.4090 228.2097 -202863.6241 2305.7365 0.0000 0.0000 52037.7476 -109526.9796 299.0617 -161564.7272 -109150.2218 299.4222 -269.5282 -236.8298 762891.3413 -0.8185 -0.6151 PRESSURE: 1168000 -181.862 90.092 50.5939 90.092 -123.094 -34.105 50.594 -34.1053 -131.986 GPRESSURE: 1168000 -162.139 106.408 126.908 13.6525 -97.0843 -35.2727 -7.41614 -84.5365 -83.6124 PRESSAVG: 1168000 -21.3045 -44.6446 9.42252 -44.6446 51.5092 -44.5289 9.42247 -44.5288 -19.2309 GPRESSAVG: 1168000 -20.3779 -47.9386 11.4175 -40.7731 51.9405 -43.8761 7.02321 -45.9261 -20.6506 TIMING: 1168000 CPU: 3679.74, 0.0031414/step Wall: 3679.74, 0.0031414/step, 3.34385 hours remaining, 237.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1168000 3957.4289 20404.8492 14408.9226 246.0557 -202979.1489 2291.9850 0.0000 0.0000 52059.9081 -109609.9995 299.1890 -161669.9076 -109252.7313 298.8508 -145.6475 -114.2787 762637.1373 3.6579 3.6373 PRESSURE: 1168200 -164.148 -102.529 -89.978 -102.529 -54.1426 -149.379 -89.9764 -149.379 -16.5987 GPRESSURE: 1168200 -104.082 -150.632 -68.1886 -54.5709 -66.4897 -195.838 -81.6483 -125.354 27.4235 PRESSAVG: 1168200 6.76318 14.0729 -19.8905 14.0729 16.3814 -38.9049 -19.8905 -38.9048 -8.0741 GPRESSAVG: 1168200 6.3014 14.5545 -21.814 11.2622 15.8863 -38.592 -16.4732 -37.2481 -6.37717 TIMING: 1168200 CPU: 3680.37, 0.00315082/step Wall: 3680.37, 0.00315082/step, 3.3537 hours remaining, 237.832031 MB of memory in use. ENERGY: 1168200 3987.8871 20482.5264 14388.5896 229.0328 -203141.2843 2477.3372 0.0000 0.0000 52016.7711 -109559.1400 298.9411 -161575.9111 -109191.9321 299.0688 -78.2964 -47.7162 761187.3714 5.0235 5.2702 LDB: ============= START OF LOAD BALANCING ============== 3692.77 LDB: ============== END OF LOAD BALANCING =============== 3692.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3692.77 LDB: ============= START OF LOAD BALANCING ============== 3693.09 LDB: Largest compute 7045 load 0.031046 is 15.8% of average load 0.196017 LDB: Average compute 0.004342 is 2.2% of average load 0.196017 LDB: TIME 3693.09 LOAD: AVG 0.196017 MAX 0.218057 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.547 MB LDB: TIME 3693.09 LOAD: AVG 0.196017 MAX 0.218057 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: TIME 3693.09 LOAD: AVG 0.196017 MAX 0.218057 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: ============== END OF LOAD BALANCING =============== 3693.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3693.1 PRESSURE: 1168400 -186.458 -132.824 -6.89488 -132.824 103.053 33.1563 -6.89465 33.1554 84.63 GPRESSURE: 1168400 -133.005 -41.6292 -26.7213 -57.5564 105.096 131.473 -45.6358 -55.4994 86.7284 PRESSAVG: 1168400 35.4939 -10.4341 -36.7814 -10.4342 -25.6873 -34.9226 -36.7814 -34.9226 -8.05735 GPRESSAVG: 1168400 35.6809 -9.47041 -35.4806 -10.596 -24.7934 -34.8647 -38.758 -36.267 -9.85679 TIMING: 1168400 CPU: 3681.01, 0.00321538/step Wall: 3681.01, 0.00321538/step, 3.42223 hours remaining, 239.332031 MB of memory in use. ENERGY: 1168400 4024.7746 20476.7117 14436.5149 250.6178 -203351.0806 2554.9567 0.0000 0.0000 52192.1412 -109415.3636 299.9490 -161607.5048 -109046.5844 299.8222 0.4086 19.6063 759949.3788 0.5831 0.3436 PRESSURE: 1168600 -24.8643 -210.773 99.8016 -210.773 -208.448 7.38146 99.8009 7.38262 213.777 GPRESSURE: 1168600 58.0843 -137.48 129.488 -108.635 -202.212 24.4469 -12.0001 -3.42503 185.4 PRESSAVG: 1168600 17.2537 -32.3809 -48.6366 -32.3809 -18.8885 -26.4794 -48.6366 -26.4794 19.8422 GPRESSAVG: 1168600 18.2542 -33.8406 -49.5785 -31.4873 -19.3828 -26.7793 -48.7075 -24.2775 18.7475 TIMING: 1168600 CPU: 3681.64, 0.00315206/step Wall: 3681.64, 0.00315206/step, 3.35466 hours remaining, 239.398438 MB of memory in use. ENERGY: 1168600 4072.1198 20519.3135 14420.1723 255.7671 -203316.5849 2542.6778 0.0000 0.0000 52111.1320 -109395.4024 299.4834 -161506.5345 -109044.4137 299.7054 -6.5118 13.7575 762315.9474 6.0691 5.8730 PRESSURE: 1168800 -247.373 270.498 -133.14 270.498 -215.22 -42.4222 -133.14 -42.4222 -77.9654 GPRESSURE: 1168800 -182.064 291.865 -123.441 276.505 -190.937 -88.644 -59.9408 -64.7208 -90.3679 PRESSAVG: 1168800 54.2775 -16.0939 -37.7547 -16.0939 -45.4999 -2.19078 -37.7547 -2.19083 -5.31152 GPRESSAVG: 1168800 52.9225 -17.6974 -36.4987 -15.1994 -45.6426 -2.59823 -38.3093 -4.13754 -3.37768 TIMING: 1168800 CPU: 3682.28, 0.00315542/step Wall: 3682.28, 0.00315542/step, 3.35807 hours remaining, 239.398438 MB of memory in use. ENERGY: 1168800 3961.2424 20429.9077 14428.3084 256.0808 -203179.8809 2431.6512 0.0000 0.0000 52159.2720 -109513.4185 299.7601 -161672.6904 -109155.9224 299.3447 -180.1861 -154.4562 760869.5929 1.1553 1.3007 PRESSURE: 1169000 22.4588 -90.833 232.475 -90.8321 -15.3601 -133.9 232.475 -133.9 -25.166 GPRESSURE: 1169000 43.455 -93.2908 324.252 -13.5862 -3.75278 -75.6834 145.195 -209.502 28.0982 PRESSAVG: 1169000 4.81241 -38.8928 -50.2385 -38.8927 -16.0929 -45.9439 -50.2385 -45.9439 -12.5631 GPRESSAVG: 1169000 4.36057 -38.4495 -50.9063 -37.5709 -14.8742 -45.5686 -46.9112 -46.2521 -12.8218 TIMING: 1169000 CPU: 3682.91, 0.00315068/step Wall: 3682.91, 0.00315068/step, 3.35285 hours remaining, 239.398438 MB of memory in use. ENERGY: 1169000 3868.2466 20421.0149 14417.2863 247.6545 -202726.7039 2122.1346 0.0000 0.0000 51951.7652 -109698.6018 298.5675 -161650.3670 -109331.9151 299.2953 -6.0224 22.6001 760819.2682 -7.9479 -7.7785 PRESSURE: 1169200 87.7963 220.311 -83.1209 220.31 -7.57689 8.04761 -83.1199 8.04799 -315.042 GPRESSURE: 1169200 15.9991 156.811 -24.6718 126.861 69.059 119.953 -109.157 -138.087 -230.307 PRESSAVG: 1169200 -2.09946 -18.4267 50.2113 -18.4265 26.325 -10.6418 50.2113 -10.6418 19.0515 GPRESSAVG: 1169200 -1.93574 -16.1796 51.4661 -21.4551 26.0478 -10.7762 44.8174 -10.3962 19.0277 TIMING: 1169200 CPU: 3683.53, 0.00314602/step Wall: 3683.53, 0.00314602/step, 3.34771 hours remaining, 239.398438 MB of memory in use. ENERGY: 1169200 4003.7476 20535.9350 14439.4278 246.2348 -203386.6678 2634.4283 0.0000 0.0000 52085.6877 -109441.2065 299.3372 -161526.8942 -109080.8077 299.1937 -78.2742 -48.4163 761030.0026 14.4257 14.3799 PRESSURE: 1169400 330.347 -250.423 -109.91 -250.423 -111.433 51.1654 -109.91 51.1651 162.098 GPRESSURE: 1169400 376.177 -132.617 -84.0886 -297.004 -80.6247 23.196 38.6377 -40.4969 178.379 PRESSAVG: 1169400 -41.1477 -48.0889 12.086 -48.0889 9.58655 12.9118 12.0861 12.9119 -0.241459 GPRESSAVG: 1169400 -39.2925 -47.9551 12.4544 -47.0372 7.79549 11.7774 14.236 13.8271 -0.131135 TIMING: 1169400 CPU: 3684.17, 0.00315307/step Wall: 3684.17, 0.00315307/step, 3.35504 hours remaining, 239.398438 MB of memory in use. ENERGY: 1169400 3940.1801 20485.1740 14394.7580 242.3213 -203028.9027 2287.8672 0.0000 0.0000 52149.9501 -109528.6520 299.7065 -161678.6021 -109170.5448 299.6867 127.0040 157.9773 759750.5282 -10.6009 -10.5427 PRESSURE: 1169600 -262.664 94.567 -161.36 94.5668 120.425 154.448 -161.361 154.448 -262.659 GPRESSURE: 1169600 -215.237 -48.6695 -154.601 101.713 194.562 154.88 -144.115 96.7384 -293.22 PRESSAVG: 1169600 -9.30886 -96.0857 -55.9733 -96.0856 -12.397 25.5436 -55.9733 25.5436 20.2955 GPRESSAVG: 1169600 -10.8497 -97.4114 -56.1018 -97.1614 -11.0513 28.3388 -54.1156 23.7928 20.1255 TIMING: 1169600 CPU: 3684.8, 0.00315101/step Wall: 3684.8, 0.00315101/step, 3.35268 hours remaining, 239.398438 MB of memory in use. ENERGY: 1169600 3982.7942 20421.7027 14394.3413 269.7203 -203446.4640 2465.7116 0.0000 0.0000 52312.0412 -109600.1528 300.6380 -161912.1939 -109232.3340 299.4570 -134.9664 -104.6318 761177.6427 -0.4701 -0.5918 PRESSURE: 1169800 103.443 34.9747 142.496 34.9745 235.618 -167.134 142.496 -167.134 151.737 GPRESSURE: 1169800 207.622 121.027 19.9744 -89.7101 183.275 -139.8 198.678 -111.139 190.689 PRESSAVG: 1169800 -34.5573 -69.678 -22.4956 -69.678 2.53026 -0.705153 -22.4955 -0.705223 13.8438 GPRESSAVG: 1169800 -32.8475 -70.2491 -23.1555 -68.2045 0.317241 -2.5647 -24.4365 1.67388 14.3734 TIMING: 1169800 CPU: 3685.42, 0.00313987/step Wall: 3685.42, 0.00313987/step, 3.34064 hours remaining, 239.398438 MB of memory in use. ENERGY: 1169800 3992.1412 20571.1750 14473.8865 274.2100 -203744.9924 2574.4631 0.0000 0.0000 52201.9134 -109657.2032 300.0051 -161859.1167 -109303.0037 299.4673 163.5994 193.8619 758647.5848 -6.0611 -6.0523 PRESSURE: 1170000 212.252 99.3992 -46.3305 99.3996 8.95478 77.2677 -46.3305 77.2682 -230.972 GPRESSURE: 1170000 214.472 85.9325 -37.896 76.2544 19.1553 -12.0203 74.4086 147.3 -169.256 PRESSAVG: 1170000 -46.8263 -3.66625 27.2383 -3.66631 14.9042 12.6113 27.2382 12.6114 -4.90673 GPRESSAVG: 1170000 -48.64 -2.48928 27.1102 -5.8732 16.6848 12.9589 29.4357 11.0287 -4.82192 TIMING: 1170000 CPU: 3686.05, 0.00313945/step Wall: 3686.05, 0.00313945/step, 3.34003 hours remaining, 239.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1170000 3955.9323 20606.5772 14371.0657 244.2845 -203604.1557 2803.3532 0.0000 0.0000 51888.7302 -109734.2126 298.2052 -161622.9428 -109383.4096 299.3065 -3.2549 21.4571 760339.6998 -12.2763 -12.2590 PRESSURE: 1170200 -335.728 -152.205 -6.96538 -152.205 -99.8352 121.877 -6.96541 121.878 -439.319 GPRESSURE: 1170200 -307.979 54.8879 1.51797 -165.468 -93.5466 143.427 -63.697 105.128 -410.687 PRESSAVG: 1170200 -4.19939 -7.65573 -5.92306 -7.65575 -20.2567 33.072 -5.92311 33.0721 -8.87043 GPRESSAVG: 1170200 -3.8571 -8.96287 -5.34823 -5.21491 -20.3552 32.844 -7.10409 32.2608 -9.07968 TIMING: 1170200 CPU: 3686.68, 0.0031582/step Wall: 3686.68, 0.0031582/step, 3.3598 hours remaining, 239.398438 MB of memory in use. ENERGY: 1170200 3899.2873 20648.5832 14363.9098 239.0071 -203186.0794 2044.7473 0.0000 0.0000 52269.5687 -109720.9760 300.3939 -161990.5447 -109347.8786 299.5710 -291.6276 -270.7376 758186.2664 -11.1088 -11.0973 PRESSURE: 1170400 -77.0452 -51.2905 -56.2388 -51.2912 87.625 203.13 -56.2386 203.13 133.201 GPRESSURE: 1170400 41.6414 -1.03991 9.24367 79.5113 119.001 202.604 12.1462 411.523 76.5273 PRESSAVG: 1170400 14.6278 -28.0477 9.0732 -28.0477 18.4528 22.4671 9.07316 22.4672 0.969817 GPRESSAVG: 1170400 15.0502 -27.5309 9.36373 -27.3897 18.6134 22.9641 10.4065 24.0031 0.493606 TIMING: 1170400 CPU: 3687.31, 0.00315281/step Wall: 3687.31, 0.00315281/step, 3.35388 hours remaining, 239.398438 MB of memory in use. ENERGY: 1170400 4006.1983 20593.8775 14421.3019 243.0374 -203417.1463 2440.4714 0.0000 0.0000 52248.2814 -109463.9784 300.2716 -161712.2598 -109104.3954 299.4865 47.9270 79.0565 759681.9190 11.3501 11.3858 PRESSURE: 1170600 -78.2945 305.606 -140.6 305.606 -656.909 -59.6592 -140.601 -59.6587 -109.131 GPRESSURE: 1170600 -12.7363 253.002 -150.475 289.438 -595.84 -192.72 -83.3319 43.359 -137.502 PRESSAVG: 1170600 10.0001 -78.2585 -0.35298 -78.2586 -9.08905 7.37646 -0.352973 7.37638 -14.7245 GPRESSAVG: 1170600 9.47082 -76.4734 0.218456 -79.3962 -8.79875 6.27827 -2.7354 6.5535 -14.7302 TIMING: 1170600 CPU: 3687.95, 0.00315715/step Wall: 3687.95, 0.00315715/step, 3.35833 hours remaining, 239.398438 MB of memory in use. ENERGY: 1170600 4028.3052 20542.3308 14447.4633 246.5150 -202992.5842 2153.8456 0.0000 0.0000 52341.7143 -109232.4099 300.8086 -161574.1242 -108863.0804 299.6713 -281.4449 -248.6929 761774.2569 -4.6045 -4.6860 PRESSURE: 1170800 -301.947 -46.8105 129.236 -46.8116 -390.241 137.35 129.236 137.35 -88.518 GPRESSURE: 1170800 -241.213 18.0218 181.013 -118.741 -342.114 233.757 152.704 -142.541 -93.2564 PRESSAVG: 1170800 -25.3741 -47.8737 3.43346 -47.8737 12.8101 4.46259 3.43352 4.46265 2.27284 GPRESSAVG: 1170800 -25.0953 -50.483 4.30746 -46.7333 12.9545 5.04217 4.44186 1.81182 1.8567 TIMING: 1170800 CPU: 3688.57, 0.00314564/step Wall: 3688.57, 0.00314564/step, 3.34592 hours remaining, 239.398438 MB of memory in use. ENERGY: 1170800 4045.4314 20509.2147 14372.4911 245.9985 -203370.4048 2632.0720 0.0000 0.0000 52385.2890 -109179.9082 301.0590 -161565.1972 -108821.7661 300.3036 -260.2352 -225.5276 762789.2528 -3.4304 -3.4280 PRESSURE: 1171000 0.603168 65.8483 53.6801 65.8485 -168.053 -42.5776 53.6799 -42.5772 -185.408 GPRESSURE: 1171000 50.0711 -29.167 92.9187 -23.343 -145.823 8.17996 132.203 71.0477 -192.021 PRESSAVG: 1171000 25.6334 -24.654 -26.2715 -24.654 -2.04067 4.81728 -26.2715 4.81735 14.1283 GPRESSAVG: 1171000 25.8147 -22.4763 -25.2988 -27.7838 -2.63426 4.32626 -28.5131 6.33961 14.2438 TIMING: 1171000 CPU: 3689.21, 0.00316193/step Wall: 3689.21, 0.00316193/step, 3.36306 hours remaining, 239.398438 MB of memory in use. ENERGY: 1171000 3999.9364 20740.8842 14411.8480 254.3825 -203390.7960 2296.1557 0.0000 0.0000 52450.3531 -109237.2362 301.4329 -161687.5893 -108867.2790 300.7100 -117.6192 -95.9241 759417.0234 12.5737 12.4748 PRESSURE: 1171200 -117.44 -85.1669 169.315 -85.1675 -38.84 177.888 169.316 177.887 238.864 GPRESSURE: 1171200 -26.2216 -110.837 180.653 -65.2992 -20.1314 130.952 153.964 172.091 182.741 PRESSAVG: 1171200 -19.4683 -3.16693 51.3096 -3.16695 -26.0153 84.771 51.3096 84.7709 23.8718 GPRESSAVG: 1171200 -19.9713 -2.95653 48.7925 -0.949875 -25.0781 84.2561 53.8707 86.0144 23.4156 TIMING: 1171200 CPU: 3689.84, 0.00316672/step Wall: 3689.84, 0.00316672/step, 3.36798 hours remaining, 239.398438 MB of memory in use. ENERGY: 1171200 4048.9878 20625.9168 14375.4701 255.1163 -203161.8101 2250.4720 0.0000 0.0000 52272.3696 -109333.4775 300.4100 -161605.8471 -108976.3064 300.1822 27.5280 45.4626 759903.4296 -7.2040 -7.2113 PRESSURE: 1171400 -202.841 -116.125 142.33 -116.124 -116.52 193.131 142.33 193.131 -59.688 GPRESSURE: 1171400 -172.687 -208.171 95.4143 -64.4837 -80.8582 188.141 126.377 198.512 -28.6773 PRESSAVG: 1171400 10.1392 -13.9343 58.8257 -13.9342 5.3998 82.7215 58.8257 82.7215 21.14 GPRESSAVG: 1171400 9.14049 -15.0202 59.6648 -13.4162 5.66274 81.9063 57.8986 83.3345 21.7664 TIMING: 1171400 CPU: 3690.47, 0.00314953/step Wall: 3690.47, 0.00314953/step, 3.34952 hours remaining, 239.398438 MB of memory in use. ENERGY: 1171400 4045.5598 20672.1877 14426.9167 233.9625 -203472.9814 2510.0635 0.0000 0.0000 52215.0592 -109369.2320 300.0807 -161584.2912 -109010.2090 300.3676 -126.3497 -94.0742 762193.7115 12.2264 12.1899 PRESSURE: 1171600 -263.164 156.326 13.3931 156.327 53.8521 81.0033 13.3934 81.0042 123.173 GPRESSURE: 1171600 -231.146 275.926 -18.0975 186.724 137.652 79.3195 95.4636 -19.0463 100.918 PRESSAVG: 1171600 -21.2799 -10.8169 23.8947 -10.8169 42.4177 -33.1413 23.8947 -33.1413 -13.4571 GPRESSAVG: 1171600 -21.7436 -10.7406 25.2897 -10.4653 43.3662 -30.9961 23.308 -34.1475 -13.5233 TIMING: 1171600 CPU: 3691.1, 0.00313911/step Wall: 3691.1, 0.00313911/step, 3.33827 hours remaining, 239.398438 MB of memory in use. ENERGY: 1171600 4051.2111 20631.1125 14472.4227 252.1546 -203687.7270 2869.9709 0.0000 0.0000 52073.5940 -109337.2612 299.2677 -161410.8552 -108963.7038 300.2040 -28.7130 2.4747 761939.9409 2.5602 2.6997 PRESSURE: 1171800 -129.52 166.712 -55.5747 166.712 170.884 -86.693 -55.5749 -86.6924 -309.999 GPRESSURE: 1171800 -21.0258 91.3861 -40.5654 161.609 164.32 -6.78201 -124.457 -89.5462 -319.741 PRESSAVG: 1171800 -29.5856 -21.4619 14.2494 -21.4619 48.9883 -31.293 14.2494 -31.293 -4.61162 GPRESSAVG: 1171800 -28.656 -21.8151 12.9796 -22.8259 46.9447 -32.8856 15.4594 -31.2786 -3.65837 TIMING: 1171800 CPU: 3691.73, 0.00315128/step Wall: 3691.73, 0.00315128/step, 3.35104 hours remaining, 239.398438 MB of memory in use. ENERGY: 1171800 3985.2567 20788.9858 14451.2765 249.7187 -203079.8325 2355.6367 0.0000 0.0000 52028.1057 -109220.8523 299.0062 -161248.9580 -108857.3269 300.1584 -89.5452 -58.8155 762138.7147 4.9304 4.8768 PRESSURE: 1172000 26.939 140.592 -103.32 140.591 -177.06 233.318 -103.32 233.319 -369.681 GPRESSURE: 1172000 1.87771 85.2124 -110.553 -62.2689 -181.154 218.797 2.58537 220.853 -276.085 PRESSAVG: 1172000 2.39418 -17.5638 -42.9865 -17.5638 -24.2103 26.6642 -42.9866 26.664 18.6649 GPRESSAVG: 1172000 3.06311 -18.0289 -43.6953 -17.2132 -23.4071 28.6082 -42.365 25.4746 16.6208 TIMING: 1172000 CPU: 3692.36, 0.00315059/step Wall: 3692.36, 0.00315059/step, 3.35013 hours remaining, 239.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1172000 3937.7435 20626.9952 14478.4653 240.1639 -202830.1158 2263.1645 0.0000 0.0000 52174.3569 -109109.2266 299.8467 -161283.5835 -108738.2416 300.0889 -173.2673 -151.7871 760901.6566 -1.0504 -1.2411 PRESSURE: 1172200 -32.2553 226.436 169.156 226.436 205.977 -68.9324 169.158 -68.9326 -99.673 GPRESSURE: 1172200 0.380216 0.445653 180.72 202.81 314.279 8.63791 50.3269 -205.202 -128.84 PRESSAVG: 1172200 62.8203 44.3661 32.6603 44.3661 -19.8456 42.182 32.6603 42.182 -0.382258 GPRESSAVG: 1172200 62.0245 43.554 32.24 44.0914 -20.5614 39.4995 31.116 44.4207 1.68979 TIMING: 1172200 CPU: 3692.99, 0.00315443/step Wall: 3692.99, 0.00315443/step, 3.35404 hours remaining, 239.398438 MB of memory in use. ENERGY: 1172200 4025.2699 20861.7497 14475.4617 243.0442 -203677.3041 2730.2478 0.0000 0.0000 52062.2486 -109279.2822 299.2025 -161341.5308 -108913.3912 300.3831 24.6830 61.9395 760136.4344 14.1975 14.3843 LDB: ============= START OF LOAD BALANCING ============== 3705.39 LDB: ============== END OF LOAD BALANCING =============== 3705.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3705.39 LDB: ============= START OF LOAD BALANCING ============== 3705.7 LDB: Largest compute 7035 load 0.034237 is 17.5% of average load 0.195877 LDB: Average compute 0.004389 is 2.2% of average load 0.195877 LDB: TIME 3705.71 LOAD: AVG 0.195877 MAX 0.214975 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.398 MB LDB: TIME 3705.71 LOAD: AVG 0.195877 MAX 0.214975 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.402 MB LDB: TIME 3705.71 LOAD: AVG 0.195877 MAX 0.214975 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.402 MB LDB: ============== END OF LOAD BALANCING =============== 3705.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3705.71 PRESSURE: 1172400 111.416 -208.342 238.855 -208.342 204.635 162.995 238.855 162.996 -185.61 GPRESSURE: 1172400 188.654 -68.9806 228.323 -159.985 143.673 175.622 174.97 -32.873 -113.289 PRESSAVG: 1172400 -20.787 26.5714 -4.75506 26.5714 -2.89547 -1.06125 -4.75503 -1.06125 1.27907 GPRESSAVG: 1172400 -20.1554 27.7442 -4.83285 28.8325 -2.64983 -0.138629 -3.46433 -3.0738 0.0909026 TIMING: 1172400 CPU: 3693.63, 0.00320597/step Wall: 3693.63, 0.00320597/step, 3.40866 hours remaining, 237.320312 MB of memory in use. ENERGY: 1172400 4047.7679 20684.1579 14490.3895 232.9247 -203661.8069 2803.5012 0.0000 0.0000 52030.1694 -109372.8964 299.0181 -161403.0658 -109011.3728 300.4657 43.4805 73.0129 761147.3581 -7.4678 -7.5714 PRESSURE: 1172600 -131.563 -192.57 -389.676 -192.569 -88.9683 107.074 -389.676 107.075 157.47 GPRESSURE: 1172600 -71.5361 -193.103 -372.319 -221.506 -131.439 147.322 -268.04 143.985 201.729 PRESSAVG: 1172600 25.5172 12.901 31.1009 12.901 -11.5174 -4.0402 31.1009 -4.04031 14.3661 GPRESSAVG: 1172600 25.2176 15.7725 31.2766 9.10202 -11.1409 -3.4453 31.5219 -2.59387 14.0379 TIMING: 1172600 CPU: 3694.26, 0.00315843/step Wall: 3694.26, 0.00315843/step, 3.35794 hours remaining, 237.320312 MB of memory in use. ENERGY: 1172600 4016.6353 20780.2699 14357.8372 274.9593 -203607.7400 2689.8639 0.0000 0.0000 52246.5726 -109241.6017 300.2618 -161488.1743 -108869.9611 300.3734 -21.0207 -0.4156 761181.6943 9.4553 9.3715 PRESSURE: 1172800 -72.3867 -39.6867 251.473 -39.6872 -39.0399 -68.8708 251.473 -68.8703 -98.5928 GPRESSURE: 1172800 -62.6014 133.671 213.409 -74.3339 -28.6989 -23.8139 219.027 -1.21515 -13.0592 PRESSAVG: 1172800 40.3908 6.535 -35.4603 6.535 -49.5705 65.3057 -35.4604 65.3056 -14.3995 GPRESSAVG: 1172800 38.8999 4.7165 -35.144 8.86317 -48.803 66.0428 -36.4908 62.8466 -13.5159 TIMING: 1172800 CPU: 3694.89, 0.0031522/step Wall: 3694.89, 0.0031522/step, 3.35114 hours remaining, 237.523438 MB of memory in use. ENERGY: 1172800 4047.7493 20658.1797 14430.9064 258.2705 -203460.9697 2530.3876 0.0000 0.0000 52238.0932 -109297.3829 300.2130 -161535.4761 -108934.1187 300.0012 -70.0065 -34.7865 760881.4201 -7.8597 -7.8063 PRESSURE: 1173000 181.113 -296.473 101.178 -296.472 90.2337 -279.375 101.177 -279.375 302.311 GPRESSURE: 1173000 181.238 -291.602 71.1679 -280.759 43.7282 -212.026 78.1292 -224.653 427.68 PRESSAVG: 1173000 65.3888 -39.328 -22.1943 -39.3281 -30.3109 15.3983 -22.1943 15.3984 0.159311 GPRESSAVG: 1173000 66.1868 -36.8808 -22.2827 -41.3478 -30.9953 15.5196 -21.0966 15.7212 -0.260658 TIMING: 1173000 CPU: 3695.52, 0.00313726/step Wall: 3695.52, 0.00313727/step, 3.33509 hours remaining, 237.523438 MB of memory in use. ENERGY: 1173000 3991.9657 20606.7454 14391.3896 241.4702 -203750.2484 2766.2605 0.0000 0.0000 52643.3553 -109109.0617 302.5421 -161752.4170 -108735.8002 300.5427 191.2195 217.5488 759435.7992 11.7457 11.6436 PRESSURE: 1173200 61.6703 -104.258 -68.0447 -104.258 68.6425 -16.7866 -68.045 -16.7859 -95.8328 GPRESSURE: 1173200 84.7273 -187.255 -6.65609 -160.667 125.598 9.68639 -127.145 79.7883 -65.6183 PRESSAVG: 1173200 30.8618 -19.9398 34.5629 -19.9398 -48.2212 -8.39764 34.5629 -8.39756 2.85377 GPRESSAVG: 1173200 30.2378 -20.7698 34.6566 -20.1087 -47.4223 -7.64665 33.6213 -6.66433 3.07017 TIMING: 1173200 CPU: 3696.15, 0.00314016/step Wall: 3696.15, 0.00314016/step, 3.33799 hours remaining, 237.523438 MB of memory in use. ENERGY: 1173200 3991.8443 20660.8600 14391.3371 243.4445 -203316.2844 2458.2345 0.0000 0.0000 52376.2125 -109194.3513 301.0068 -161570.5639 -108822.9403 299.9920 11.4934 48.2358 762314.4243 -4.8352 -4.7048 PRESSURE: 1173400 -84.679 -35.3945 -29.9307 -35.3944 489.08 -53.4783 -29.9309 -53.4783 -88.7366 GPRESSURE: 1173400 -44.41 -20.2645 -49.6319 50.6857 534.915 -93.1727 24.1298 -118.348 -86.9758 PRESSAVG: 1173400 9.05646 -38.9758 -23.1523 -38.9758 6.31954 -6.58106 -23.1522 -6.58109 -15.3738 GPRESSAVG: 1173400 9.08468 -40.3522 -22.3971 -36.2935 6.55612 -11.0778 -24.3576 -5.68696 -15.5862 TIMING: 1173400 CPU: 3696.78, 0.00313744/step Wall: 3696.78, 0.00313744/step, 3.33492 hours remaining, 237.523438 MB of memory in use. ENERGY: 1173400 3997.0625 20481.0679 14435.4991 255.9777 -203613.9836 2718.0699 0.0000 0.0000 52397.8095 -109328.4971 301.1309 -161726.3065 -108952.5113 300.6734 105.2213 134.5097 762547.9799 0.0007 0.0182 PRESSURE: 1173600 166.449 -86.8305 116.726 -86.8305 -84.3342 2.5426 116.726 2.5418 -96.7846 GPRESSURE: 1173600 121.269 -20.0854 49.418 -83.5582 -21.0433 15.8425 64.6087 101.885 -46.5406 PRESSAVG: 1173600 -7.52646 -9.96924 35.3209 -9.96921 44.8977 -29.103 35.3209 -29.1031 14.3099 GPRESSAVG: 1173600 -7.01124 -10.8412 35.5581 -9.91767 44.348 -27.0834 36.1981 -29.8088 14.3706 TIMING: 1173600 CPU: 3697.41, 0.00315054/step Wall: 3697.41, 0.00315054/step, 3.34868 hours remaining, 237.523438 MB of memory in use. ENERGY: 1173600 4038.4241 20829.9711 14462.7624 259.8438 -203373.0455 2481.7153 0.0000 0.0000 52152.3868 -109147.9419 299.7205 -161300.3287 -108783.9378 300.2342 -4.8898 17.8949 761983.9836 17.2271 17.2358 PRESSURE: 1173800 -373.775 -252.541 3.81727 -252.541 -515.097 307.075 3.81724 307.074 -81.9721 GPRESSURE: 1173800 -324.907 -132.226 -68.7521 -250.092 -425.773 288.67 37.4045 215.255 -120.539 PRESSAVG: 1173800 -11.2539 -43.5338 -3.38405 -43.5339 -6.89106 -6.01324 -3.38407 -6.01316 17.3806 GPRESSAVG: 1173800 -10.567 -41.8768 -5.09345 -46.3369 -6.72491 -5.82093 -2.76417 -6.54735 16.8302 TIMING: 1173800 CPU: 3698.03, 0.00314291/step Wall: 3698.03, 0.00314291/step, 3.34039 hours remaining, 237.523438 MB of memory in use. ENERGY: 1173800 4042.8190 20559.6480 14463.2336 239.1139 -203265.4463 2413.7802 0.0000 0.0000 52320.2248 -109226.6267 300.6851 -161546.8516 -108860.8806 300.3509 -323.6149 -290.4063 763154.6623 -0.2548 -0.1539 PRESSURE: 1174000 -112.424 -145.064 73.2535 -145.064 -16.7397 -151.008 73.2538 -151.008 231.852 GPRESSURE: 1174000 -121.24 -149.472 144.263 -239.103 44.8475 -248.934 113.395 -120.131 241.626 PRESSAVG: 1174000 12.1328 -13.6616 -14.791 -13.6616 46.9058 -33.0399 -14.791 -33.0398 28.1326 GPRESSAVG: 1174000 12.1425 -14.241 -12.7206 -13.3561 47.1822 -32.6994 -13.7693 -32.4457 28.647 TIMING: 1174000 CPU: 3698.66, 0.00314766/step Wall: 3698.66, 0.00314766/step, 3.34527 hours remaining, 237.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1174000 3948.4710 20549.0805 14438.2812 236.3134 -203532.1947 2599.0190 0.0000 0.0000 52427.1620 -109333.8677 301.2996 -161761.0298 -108962.3675 300.4505 34.2294 55.0777 760357.8548 29.0571 29.3239 PRESSURE: 1174200 249.361 117.987 -3.0715 117.987 270.413 -133.558 -3.07188 -133.559 128.753 GPRESSURE: 1174200 187.991 100.347 11.7986 82.7872 340.22 -65.8046 -148.361 -27.9345 195.028 PRESSAVG: 1174200 -13.5035 -25.4477 -21.5119 -25.4477 16.3719 -59.6917 -21.5119 -59.6918 -12.7744 GPRESSAVG: 1174200 -13.8974 -27.1839 -22.4275 -23.8085 16.9089 -59.526 -23.2809 -61.2604 -12.8222 TIMING: 1174200 CPU: 3699.3, 0.00316047/step Wall: 3699.3, 0.00316048/step, 3.35871 hours remaining, 237.523438 MB of memory in use. ENERGY: 1174200 3929.6461 20453.4969 14463.5533 254.4780 -203515.8803 2622.1171 0.0000 0.0000 52395.5819 -109397.0069 301.1181 -161792.5889 -109047.4560 300.2347 216.1756 241.0799 759575.7624 -3.3020 -3.2702 PRESSURE: 1174400 -39.9877 138.691 -149.599 138.69 -158.395 -261.242 -149.599 -261.242 239.123 GPRESSURE: 1174400 -87.0401 243.621 -76.3416 -54.5135 6.71647 -112.523 -41.3642 -227.437 208.094 PRESSAVG: 1174400 28.248 -19.1102 -12.0024 -19.1102 -27.5244 -8.47951 -12.0024 -8.47943 -3.44996 GPRESSAVG: 1174400 28.5463 -18.1924 -11.5511 -19.7355 -27.5194 -8.04512 -10.2512 -8.76141 -3.71017 TIMING: 1174400 CPU: 3699.92, 0.00313893/step Wall: 3699.92, 0.00313893/step, 3.33564 hours remaining, 237.523438 MB of memory in use. ENERGY: 1174400 4034.7740 20558.6257 14465.4074 263.5714 -203494.5881 2659.9412 0.0000 0.0000 52114.7476 -109397.5207 299.5042 -161512.2684 -109028.7036 300.4113 13.5802 42.5902 760825.0445 -0.9088 -0.8944 PRESSURE: 1174600 188.023 74.4777 102.163 74.4785 9.42477 -35.7863 102.163 -35.7858 104.721 GPRESSURE: 1174600 193.946 58.3905 124.081 159.943 67.7396 -27.4046 48.4969 -27.0501 112.452 PRESSAVG: 1174600 -10.6568 30.9155 -30.5359 30.9155 28.7524 6.72707 -30.5359 6.72706 22.7072 GPRESSAVG: 1174600 -10.8878 31.4155 -32.4559 30.917 28.3935 4.51614 -31.5818 7.65618 23.2322 TIMING: 1174600 CPU: 3700.55, 0.00315285/step Wall: 3700.55, 0.00315285/step, 3.35026 hours remaining, 237.523438 MB of memory in use. ENERGY: 1174600 3864.7711 20561.8459 14432.0964 242.6922 -203899.3671 2693.1445 0.0000 0.0000 52446.1169 -109658.7001 301.4086 -162104.8170 -109290.1434 300.1484 100.7227 124.7127 760492.1722 13.6009 13.5793 PRESSURE: 1174800 69.6576 69.1603 -138.792 69.1614 -245.651 95.303 -138.792 95.3038 139.657 GPRESSURE: 1174800 124.545 -19.6309 -114.102 96.4448 -205.145 100.767 -45.0135 73.4264 136.821 PRESSAVG: 1174800 -12.5816 14.1958 -25.783 14.1958 22.1487 -0.813074 -25.783 -0.812973 4.55068 GPRESSAVG: 1174800 -13.1152 13.3459 -25.0075 14.7696 21.9688 1.44233 -23.6208 -1.29737 5.42094 TIMING: 1174800 CPU: 3701.18, 0.00314854/step Wall: 3701.18, 0.00314854/step, 3.3455 hours remaining, 237.523438 MB of memory in use. ENERGY: 1174800 4002.3870 20701.3680 14536.6937 250.3537 -203602.0410 2539.8652 0.0000 0.0000 51901.0442 -109670.3292 298.2760 -161571.3734 -109322.7776 299.6011 -12.1122 18.7404 761581.0241 4.7059 4.7582 PRESSURE: 1175000 455.695 3.40188 -185.807 3.40258 -5.96037 -1.93232 -185.808 -1.93202 28.4365 GPRESSURE: 1175000 374.454 42.682 -103.569 -37.4689 73.9244 -31.0141 -192.6 -129.65 122.167 PRESSAVG: 1175000 18.9178 -13.1462 -50.9734 -13.1462 -36.763 -4.26777 -50.9734 -4.2677 -12.4435 GPRESSAVG: 1175000 18.1482 -11.2751 -50.2817 -13.3097 -36.3855 -3.89732 -52.3688 -4.70189 -12.3682 TIMING: 1175000 CPU: 3701.81, 0.00314801/step Wall: 3701.81, 0.00314801/step, 3.34476 hours remaining, 237.523438 MB of memory in use. ENERGY: 1175000 4001.6965 20464.2652 14494.2226 256.9633 -203805.4621 2773.2217 0.0000 0.0000 52112.5143 -109702.5786 299.4913 -161815.0928 -109343.1451 299.5747 159.3905 190.1816 761651.2129 -10.0962 -10.2019 PRESSURE: 1175200 89.0938 171.26 -217.393 171.259 240.027 155.733 -217.393 155.733 -110.074 GPRESSURE: 1175200 68.4219 190.471 -132.107 45.5778 289.382 211.759 -220.47 97.7493 -53.2834 PRESSAVG: 1175200 36.4031 -13.2775 -13.7987 -13.2775 -48.2516 -11.8327 -13.7986 -11.8327 -5.38559 GPRESSAVG: 1175200 36.3719 -15.4605 -14.9787 -12.5714 -47.8219 -13.0845 -12.9387 -11.4624 -5.92495 TIMING: 1175200 CPU: 3702.44, 0.00314399/step Wall: 3702.44, 0.00314399/step, 3.34032 hours remaining, 237.523438 MB of memory in use. ENERGY: 1175200 3967.9539 20296.8204 14523.0562 254.0262 -203245.0422 2721.6762 0.0000 0.0000 51927.1201 -109554.3892 298.4259 -161481.5093 -109184.9412 299.1150 73.0156 101.5067 762121.7280 -5.7447 -5.7916 PRESSURE: 1175400 17.6702 106.599 155.656 106.599 -189.07 -31.9841 155.657 -31.9837 195.058 GPRESSURE: 1175400 111.044 22.1785 101.491 -45.6891 -230.523 -45.0324 54.575 -24.6002 217.795 PRESSAVG: 1175400 34.0092 4.04482 -2.18288 4.04488 -84.6623 -21.3119 -2.18284 -21.3119 -53.5387 GPRESSAVG: 1175400 35.8128 4.25043 -0.234632 2.42254 -85.735 -20.9789 -3.46492 -23.1731 -54.2028 TIMING: 1175400 CPU: 3703.08, 0.00318462/step Wall: 3703.08, 0.00318462/step, 3.3833 hours remaining, 237.523438 MB of memory in use. ENERGY: 1175400 4021.1607 20734.1470 14456.4624 239.9594 -203162.6991 2228.3130 0.0000 0.0000 51976.3967 -109506.2601 298.7091 -161482.6567 -109158.9733 299.0661 7.8863 32.7722 761683.3271 -34.7306 -34.7083 PRESSURE: 1175600 6.77151 30.6766 142.361 30.6776 -209.728 92.2329 142.36 92.2333 -362.397 GPRESSURE: 1175600 43.2992 -47.1182 97.3101 122.032 -236.242 218.57 166.722 17.5825 -267.424 PRESSAVG: 1175600 51.7813 1.65229 45.9916 1.6523 -6.06721 -12.4375 45.9917 -12.4375 29.5207 GPRESSAVG: 1175600 50.6065 -0.544597 44.5952 4.31876 -6.23162 -11.4068 46.3276 -12.2719 30.6051 TIMING: 1175600 CPU: 3703.71, 0.00316469/step Wall: 3703.71, 0.00316469/step, 3.36196 hours remaining, 237.523438 MB of memory in use. ENERGY: 1175600 4002.9871 20436.6495 14492.0196 241.1338 -203593.1718 2680.1442 0.0000 0.0000 52142.0233 -109598.2144 299.6609 -161740.2377 -109239.5028 299.2938 -188.4513 -153.4556 761160.8416 25.0783 24.9933 PRESSURE: 1175800 -64.1075 -36.7479 188.928 -36.7487 -125.771 -96.5017 188.927 -96.5021 285.534 GPRESSURE: 1175800 -1.51375 47.1048 214.152 -102.819 -91.626 -17.535 152.548 -111.626 280.038 PRESSAVG: 1175800 13.5385 -37.9095 14.5595 -37.9096 -18.9652 6.26758 14.5596 6.2676 20.1663 GPRESSAVG: 1175800 13.1662 -35.1174 15.3339 -39.7946 -18.5343 4.66187 15.4141 8.5055 19.8788 TIMING: 1175800 CPU: 3704.34, 0.00316391/step Wall: 3704.34, 0.00316391/step, 3.36095 hours remaining, 237.523438 MB of memory in use. ENERGY: 1175800 4054.4671 20423.3681 14438.7689 247.4614 -203342.9112 2461.9728 0.0000 0.0000 52009.4382 -109707.4346 298.8990 -161716.8728 -109335.3953 299.1518 31.8853 62.2996 762282.9513 4.9132 4.8369 PRESSURE: 1176000 91.7985 57.1519 69.9008 57.1529 512.303 129.734 69.9014 129.734 394.693 GPRESSURE: 1176000 181.124 -48.932 94.0729 70.1626 484.868 164.545 23.1234 216.809 404.656 PRESSAVG: 1176000 6.78674 36.0633 -56.3312 36.0633 25.4893 -54.3734 -56.3312 -54.3734 -13.5102 GPRESSAVG: 1176000 6.10014 34.406 -55.6001 36.2442 26.4282 -53.2497 -57.708 -56.5829 -14.0306 TIMING: 1176000 CPU: 3704.98, 0.0031639/step Wall: 3704.98, 0.0031639/step, 3.36076 hours remaining, 237.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1176000 3994.0771 20399.3461 14455.8488 229.5203 -203564.3941 2701.9189 0.0000 0.0000 52059.9399 -109723.7430 299.1892 -161783.6829 -109363.1935 298.7418 332.9316 356.8827 761804.4391 6.2553 6.1659 PRESSURE: 1176200 -246.212 -150.966 -62.8946 -150.967 -59.1942 102.588 -62.8949 102.587 232.634 GPRESSURE: 1176200 -259.942 4.52226 -42.5891 53.5919 15.2063 47.6435 -10.9645 51.5868 250.726 PRESSAVG: 1176200 -18.8452 48.5745 -4.86408 48.5746 10.7097 -53.9173 -4.86412 -53.9173 -10.6089 GPRESSAVG: 1176200 -16.6987 48.72 -4.15027 49.6958 9.75463 -54.2232 -5.89335 -51.5783 -11.4845 TIMING: 1176200 CPU: 3705.61, 0.00316387/step Wall: 3705.61, 0.00316387/step, 3.36056 hours remaining, 237.523438 MB of memory in use. ENERGY: 1176200 3978.9605 20474.2722 14473.4275 243.7020 -203692.5239 2673.6929 0.0000 0.0000 52068.4979 -109779.9710 299.2384 -161848.4689 -109410.9908 298.8799 -24.2575 1.9968 761792.7577 -6.2481 -6.1429 LDB: ============= START OF LOAD BALANCING ============== 3718.01 LDB: ============== END OF LOAD BALANCING =============== 3718.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3718.01 LDB: ============= START OF LOAD BALANCING ============== 3718.33 LDB: Largest compute 7026 load 0.033825 is 17.3% of average load 0.195980 LDB: Average compute 0.004388 is 2.2% of average load 0.195980 LDB: TIME 3718.33 LOAD: AVG 0.19598 MAX 0.213371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 3718.33 LOAD: AVG 0.19598 MAX 0.213371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.969 MB LDB: TIME 3718.33 LOAD: AVG 0.19598 MAX 0.213371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.969 MB LDB: ============== END OF LOAD BALANCING =============== 3718.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3718.34 PRESSURE: 1176400 -52.2702 -7.19752 -11.0989 -7.19763 -279.787 2.5968 -11.0994 2.59587 -47.3206 GPRESSURE: 1176400 -49.674 27.7853 -9.01992 -76.9861 -209.427 -59.8736 21.1086 -112.124 -44.4336 PRESSAVG: 1176400 2.70821 -43.2854 -31.7388 -43.2854 -9.75616 -31.5534 -31.7388 -31.5534 -1.74776 GPRESSAVG: 1176400 2.40445 -43.4374 -33.5275 -44.8919 -9.41569 -32.3002 -29.3222 -32.0894 -1.40048 TIMING: 1176400 CPU: 3706.26, 0.00323327/step Wall: 3706.26, 0.00323327/step, 3.43409 hours remaining, 238.402344 MB of memory in use. ENERGY: 1176400 4043.1701 20608.0963 14462.1676 253.8869 -203700.1370 2660.2075 0.0000 0.0000 51887.7301 -109784.8786 298.1995 -161672.6087 -109425.6994 298.8395 -126.4592 -101.1782 763631.8294 -2.9319 -2.8039 PRESSURE: 1176600 -199.488 2.24958 -148.847 2.24874 -99.3351 -130.306 -148.847 -130.306 -93.7884 GPRESSURE: 1176600 -115.319 -21.1731 -109.272 14.3019 -133.188 -101.505 -202.965 32.5351 -69.8711 PRESSAVG: 1176600 -32.0717 -26.1562 -37.4648 -26.1562 -19.4317 -4.30916 -37.4648 -4.30918 -23.0478 GPRESSAVG: 1176600 -33.3924 -25.1231 -37.1727 -26.7791 -18.7201 -3.49525 -40.7189 -5.43524 -22.0377 TIMING: 1176600 CPU: 3706.89, 0.00315739/step Wall: 3706.89, 0.00315739/step, 3.35332 hours remaining, 238.750000 MB of memory in use. ENERGY: 1176600 4049.7475 20543.9950 14453.3057 250.0749 -203859.7479 2809.3309 0.0000 0.0000 51919.1006 -109834.1933 298.3798 -161753.2939 -109479.4489 298.9313 -130.8706 -106.1261 762668.0949 -24.8504 -24.7167 PRESSURE: 1176800 -85.1435 74.0416 -134.555 74.041 31.0929 88.1705 -134.556 88.17 -206.976 GPRESSURE: 1176800 -60.1768 61.2747 42.832 33.0968 53.072 142.209 -164.807 44.0464 -171.191 PRESSAVG: 1176800 12.4747 -49.914 -18.2207 -49.914 -14.8966 12.3475 -18.2208 12.3475 12.9166 GPRESSAVG: 1176800 13.2768 -50.0102 -16.4576 -48.429 -15.8037 12.3669 -18.9616 14.3164 12.6436 TIMING: 1176800 CPU: 3707.52, 0.00316531/step Wall: 3707.52, 0.00316531/step, 3.36155 hours remaining, 238.750000 MB of memory in use. ENERGY: 1176800 3939.2431 20415.9353 14512.2424 256.4427 -203600.4906 2648.6550 0.0000 0.0000 51850.4408 -109977.5311 297.9852 -161827.9720 -109601.4090 298.3011 -87.0087 -59.4320 761849.5472 3.4982 3.3722 PRESSURE: 1177000 6.31468 21.0244 -78.3975 21.0242 -5.3802 -260.574 -78.3982 -260.574 47.5313 GPRESSURE: 1177000 28.8491 -17.6669 -61.4205 8.60156 35.6771 -236.021 -121.25 -273.722 76.5489 PRESSAVG: 1177000 47.2025 -34.4648 -7.41344 -34.4648 4.64821 35.0941 -7.41353 35.0941 0.52964 GPRESSAVG: 1177000 45.8503 -33.5155 -8.13208 -35.3446 4.97877 34.5506 -5.86534 33.5475 1.28505 TIMING: 1177000 CPU: 3708.16, 0.00316943/step Wall: 3708.16, 0.00316943/step, 3.36576 hours remaining, 238.750000 MB of memory in use. ENERGY: 1177000 3960.1262 20437.7913 14522.7457 234.5948 -203917.2844 2983.0356 0.0000 0.0000 51856.6016 -109922.3892 298.0206 -161778.9908 -109571.8945 298.3464 16.1553 47.0250 761092.1344 17.4601 17.3714 PRESSURE: 1177200 -120.389 241.006 -294.59 241.007 32.037 68.3368 -294.59 68.3364 156.024 GPRESSURE: 1177200 8.80232 237.856 -305.543 192.452 -3.81829 20.4366 -219.585 -8.39813 150.673 PRESSAVG: 1177200 5.73513 -7.90264 -27.2718 -7.90261 10.2033 1.78631 -27.2718 1.78633 5.24666 GPRESSAVG: 1177200 8.08283 -8.25964 -29.0931 -8.93191 8.17202 0.47292 -24.6046 2.5999 4.95555 TIMING: 1177200 CPU: 3708.79, 0.00316126/step Wall: 3708.79, 0.00316126/step, 3.3569 hours remaining, 238.750000 MB of memory in use. ENERGY: 1177200 3987.8830 20348.3111 14542.0326 254.3908 -203272.9460 2556.7350 0.0000 0.0000 51819.2531 -109764.3404 297.8060 -161583.5935 -109408.6576 298.3383 22.5575 51.8857 764289.2502 7.0617 7.0701 PRESSURE: 1177400 156.265 117.694 28.977 117.695 80.4935 135.876 28.978 135.877 285.996 GPRESSURE: 1177400 158.065 161.782 -21.7015 111.257 120.573 74.0294 96.418 133.664 330.023 PRESSAVG: 1177400 30.7179 -52.2931 -76.423 -52.2931 -37.0702 4.61788 -76.423 4.61795 1.55634 GPRESSAVG: 1177400 29.7793 -54.6678 -76.5266 -51.7712 -35.8609 5.11957 -76.2674 4.14497 0.850845 TIMING: 1177400 CPU: 3709.42, 0.00317276/step Wall: 3709.42, 0.00317276/step, 3.36894 hours remaining, 238.750000 MB of memory in use. ENERGY: 1177400 4042.5594 20441.6163 14519.3014 254.3972 -203654.8789 2715.6009 0.0000 0.0000 51864.9078 -109816.4958 298.0683 -161681.4036 -109467.1090 298.3460 174.2515 202.8871 761806.3840 -1.5986 -1.7436 PRESSURE: 1177600 168.536 -27.4852 -31.5445 -27.4848 -139.927 154.188 -31.5442 154.188 225.737 GPRESSURE: 1177600 247.051 -62.9876 6.92911 -15.5026 -82.8486 182.504 -158.533 88.9585 173.363 PRESSAVG: 1177600 82.0407 0.496179 -62.8101 0.496141 -74.2342 -29.3067 -62.81 -29.3067 -11.6015 GPRESSAVG: 1177600 80.6401 1.44602 -60.7796 1.26906 -72.686 -27.8113 -65.9609 -29.5557 -11.4254 TIMING: 1177600 CPU: 3710.05, 0.00316305/step Wall: 3710.05, 0.00316305/step, 3.35846 hours remaining, 238.750000 MB of memory in use. ENERGY: 1177600 4001.8969 20348.7489 14469.3657 222.6918 -203572.1179 2601.6212 0.0000 0.0000 52097.4628 -109830.3305 299.4048 -161927.7933 -109477.8894 298.7139 84.7821 112.5218 760374.6044 -1.2650 -1.1571 PRESSURE: 1177800 -116.781 28.966 -168.164 28.966 150.795 -17.7811 -168.163 -17.7817 -13.8764 GPRESSURE: 1177800 -26.0092 178.15 -122.098 -14.5711 148.483 -11.0299 -82.4009 84.1651 -33.7689 PRESSAVG: 1177800 -43.9563 -16.713 -39.8939 -16.713 31.5009 15.8772 -39.8939 15.8772 -4.16394 GPRESSAVG: 1177800 -43.4286 -16.0399 -40.3242 -17.2284 31.647 15.6281 -39.3069 16.4712 -4.7551 TIMING: 1177800 CPU: 3710.69, 0.00316998/step Wall: 3710.69, 0.00316998/step, 3.36564 hours remaining, 238.750000 MB of memory in use. ENERGY: 1177800 3964.8016 20440.1921 14440.3665 247.8230 -203559.4972 2819.7637 0.0000 0.0000 52058.0320 -109588.5183 299.1782 -161646.5502 -109236.9972 298.3110 6.7125 29.5682 760864.6688 -5.5398 -5.5122 PRESSURE: 1178000 3.85864 -187.745 37.4072 -187.746 154.947 -44.972 37.4072 -44.9732 -38.3658 GPRESSURE: 1178000 -32.0289 -65.7142 162.791 -50.7572 244.107 -7.9193 37.7059 62.3483 -0.253851 PRESSAVG: 1178000 6.52844 -5.61695 5.49072 -5.61698 -33.6276 7.57947 5.4907 7.57943 12.0365 GPRESSAVG: 1178000 6.7055 -4.89367 4.85358 -3.41712 -33.4417 7.25606 6.75135 7.20808 11.8179 TIMING: 1178000 CPU: 3711.32, 0.00314824/step Wall: 3711.32, 0.00314824/step, 3.34238 hours remaining, 238.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1178000 3911.6199 20641.4979 14443.9706 263.3310 -203312.1741 2733.7647 0.0000 0.0000 51889.4341 -109428.5559 298.2093 -161317.9900 -109069.3710 298.8154 40.1465 70.6080 762161.0002 -5.0209 -4.9728 PRESSURE: 1178200 -34.6934 119.426 226.802 119.428 -142.043 12.9313 226.802 12.9318 -17.8832 GPRESSURE: 1178200 27.2416 19.1041 225.014 29.057 -116.45 41.4019 196.797 2.46374 -12.5813 PRESSAVG: 1178200 30.6986 -1.44323 5.04087 -1.44324 -38.8707 15.244 5.04092 15.244 -10.8035 GPRESSAVG: 1178200 29.4181 -3.11095 5.13225 -2.70485 -38.9323 13.6888 3.22075 15.8467 -10.284 TIMING: 1178200 CPU: 3711.95, 0.00314904/step Wall: 3711.95, 0.00314904/step, 3.34305 hours remaining, 238.750000 MB of memory in use. ENERGY: 1178200 3970.7160 20563.7950 14485.4739 262.8362 -203411.6469 2827.7338 0.0000 0.0000 52035.8148 -109265.2771 299.0505 -161301.0920 -108910.5705 299.2434 -64.8731 -33.9300 760396.3363 -6.3252 -6.5994 PRESSURE: 1178400 76.8281 -84.969 -92.8235 -84.9698 -318.191 319.044 -92.8243 319.043 -648.847 GPRESSURE: 1178400 26.0516 -88.7112 -118.643 58.8099 -276.693 354.149 -38.1668 118.268 -553.179 PRESSAVG: 1178400 32.2215 -13.9959 -8.86086 -13.9959 -46.2123 15.0972 -8.86087 15.0972 -1.07292 GPRESSAVG: 1178400 32.8877 -14.2402 -8.64559 -13.0905 -46.1908 18.4246 -7.71029 13.015 -2.00073 TIMING: 1178400 CPU: 3712.58, 0.00314095/step Wall: 3712.58, 0.00314095/step, 3.33429 hours remaining, 238.750000 MB of memory in use. ENERGY: 1178400 4072.2228 20649.3157 14450.9185 238.2404 -203029.5029 2161.5143 0.0000 0.0000 52207.2693 -109250.0218 300.0359 -161457.2911 -108888.9046 299.6448 -296.7366 -267.9401 761991.7753 -5.0212 -5.1013 PRESSURE: 1178600 -222.301 169.919 -213.185 169.918 -162.799 79.5813 -213.185 79.5816 581.565 GPRESSURE: 1178600 -220.95 314.135 -173.667 99.6359 -12.2227 70.4193 -211.171 112.712 504.321 PRESSAVG: 1178600 57.0481 -28.5046 -36.649 -28.5046 -53.784 4.89092 -36.649 4.89091 25.4035 GPRESSAVG: 1178600 57.0302 -26.3217 -36.6829 -30.1941 -53.3093 3.56425 -36.0364 6.44519 25.2879 TIMING: 1178600 CPU: 3713.21, 0.00315824/step Wall: 3713.21, 0.00315824/step, 3.35248 hours remaining, 238.750000 MB of memory in use. ENERGY: 1178600 3985.3357 20377.9045 14495.0753 256.2367 -203250.6259 2552.4471 0.0000 0.0000 52244.4259 -109339.2007 300.2494 -161583.6266 -108970.9025 299.7338 65.4884 90.3825 761141.7692 9.5559 9.6696 PRESSURE: 1178800 -99.8135 118.518 -264.552 118.516 -433.005 -98.6981 -264.551 -98.6987 -146.911 GPRESSURE: 1178800 -97.773 -40.5916 -273.744 73.3333 -367.06 -134.021 -238.962 -16.9064 -130.136 PRESSAVG: 1178800 -25.5898 4.5794 -20.9749 4.57938 -3.25932 -29.5825 -20.9749 -29.5825 -12.778 GPRESSAVG: 1178800 -25.1312 2.21417 -22.1167 4.94856 -4.88146 -31.2725 -20.8929 -28.9683 -12.265 TIMING: 1178800 CPU: 3713.84, 0.00315329/step Wall: 3713.84, 0.00315329/step, 3.34704 hours remaining, 238.750000 MB of memory in use. ENERGY: 1178800 4050.0404 20316.2371 14485.7470 259.1648 -203313.8355 2568.1039 0.0000 0.0000 52098.4356 -109536.1069 299.4104 -161634.5424 -109178.7605 299.6614 -226.5767 -198.3230 761639.1808 -13.8757 -14.0925 PRESSURE: 1179000 -5.47945 -90.3473 -125.628 -90.3477 98.6401 -81.1584 -125.628 -81.1579 165.606 GPRESSURE: 1179000 21.4363 -39.3506 -121.717 -76.6064 22.5829 -126.611 -49.3261 26.8821 309.589 PRESSAVG: 1179000 62.4847 4.40711 -28.1363 4.40704 -19.5259 -23.1765 -28.1365 -23.1764 1.7604 GPRESSAVG: 1179000 61.8226 4.57722 -27.271 5.36026 -19.3812 -22.9872 -26.8202 -22.1538 2.28463 TIMING: 1179000 CPU: 3714.47, 0.00317144/step Wall: 3714.47, 0.00317144/step, 3.36613 hours remaining, 238.750000 MB of memory in use. ENERGY: 1179000 3984.1598 20409.7026 14516.6570 236.0217 -203693.4612 2601.2491 0.0000 0.0000 52400.3341 -109545.3369 301.1454 -161945.6710 -109181.7054 299.5099 86.2555 117.8695 758479.1639 14.9064 14.9087 PRESSURE: 1179200 -59.7692 72.6079 -69.5937 72.6072 -294.947 -52.8091 -69.5929 -52.8098 -433.713 GPRESSURE: 1179200 -118.287 175.125 -64.7184 56.12 -177.15 25.6393 -20.5678 -73.8284 -387.862 PRESSAVG: 1179200 19.058 -39.6188 -17.9698 -39.6188 18.3706 -16.7644 -17.9698 -16.7644 -0.328692 GPRESSAVG: 1179200 19.2419 -38.849 -18.3298 -39.4874 18.706 -16.9413 -21.428 -16.1757 -0.310969 TIMING: 1179200 CPU: 3715.11, 0.00317056/step Wall: 3715.11, 0.00317056/step, 3.36503 hours remaining, 238.750000 MB of memory in use. ENERGY: 1179200 3973.9234 20499.5304 14512.9999 250.0916 -203318.0213 2568.9903 0.0000 0.0000 51964.2941 -109548.1917 298.6395 -161512.4857 -109186.1517 299.2429 -262.8098 -227.7665 761312.2973 12.3666 12.5456 PRESSURE: 1179400 -267.858 131.486 0.954463 131.486 60.831 -9.2728 0.954853 -9.27263 -85.3553 GPRESSURE: 1179400 -219.313 73.9343 -3.2296 46.4233 67.6914 6.24516 79.9547 4.80549 -56.93 PRESSAVG: 1179400 -64.4185 -6.87983 -57.4933 -6.87986 57.2919 31.0329 -57.4934 31.0329 18.3747 GPRESSAVG: 1179400 -63.6024 -5.75656 -55.9674 -9.03699 56.7756 32.5935 -56.4473 30.3556 18.0122 TIMING: 1179400 CPU: 3715.74, 0.00316703/step Wall: 3715.74, 0.00316703/step, 3.3611 hours remaining, 238.750000 MB of memory in use. ENERGY: 1179400 4062.8901 20315.7655 14421.5290 229.9822 -203618.1575 2736.1640 0.0000 0.0000 52375.3916 -109476.4351 301.0021 -161851.8267 -109113.5423 299.5124 -97.4608 -69.5172 759261.6231 3.7494 3.7285 PRESSURE: 1179600 -70.8804 195.499 -151.621 195.499 -139.378 90.2986 -151.62 90.2995 -227.075 GPRESSURE: 1179600 -83.1673 231.649 -234.698 228.5 -76.3388 70.6411 -137.102 11.1419 -206.216 PRESSAVG: 1179600 19.7317 35.224 -64.43 35.2239 -25.2427 35.5294 -64.43 35.5294 -12.6016 GPRESSAVG: 1179600 17.9502 34.0988 -66.619 36.6294 -24.0587 35.0873 -63.3849 34.2335 -12.6041 TIMING: 1179600 CPU: 3716.37, 0.00315131/step Wall: 3716.37, 0.00315131/step, 3.34424 hours remaining, 238.750000 MB of memory in use. ENERGY: 1179600 4034.8783 20505.5730 14466.0049 272.4008 -203022.7658 2414.1746 0.0000 0.0000 51948.8207 -109380.9135 298.5506 -161329.7342 -109015.0639 299.6379 -145.7779 -121.9073 761678.8801 -6.0375 -6.2375 PRESSURE: 1179800 -29.8022 -46.6717 46.4376 -46.6719 -140.162 -106.414 46.437 -106.415 -127.547 GPRESSURE: 1179800 56.0354 -98.5289 53.696 66.6879 -140.038 -99.4341 76.7714 -101.069 -111.976 PRESSAVG: 1179800 17.3398 39.7117 -36.9384 39.7117 -25.0983 16.4329 -36.9384 16.4328 -0.382118 GPRESSAVG: 1179800 17.7859 40.1154 -37.1608 39.7699 -25.5662 15.8142 -37.0905 16.8697 -0.771619 TIMING: 1179800 CPU: 3717, 0.00316757/step Wall: 3717, 0.00316757/step, 3.36132 hours remaining, 238.750000 MB of memory in use. ENERGY: 1179800 4046.0272 20515.1964 14453.0048 227.6525 -203473.7718 2707.6181 0.0000 0.0000 52238.9466 -109285.3261 300.2179 -161524.2727 -108926.8986 299.5842 -99.1702 -65.3260 760445.3014 -2.7135 -2.8506 PRESSURE: 1180000 -24.1361 72.27 97.29 72.2699 -136.046 -28.1005 97.2903 -28.0991 357.712 GPRESSURE: 1180000 -13.3298 -11.439 71.4353 75.9214 -34.3563 40.0978 119.033 -37.6963 334.893 PRESSAVG: 1180000 -10.7231 -14.4477 19.9946 -14.4478 47.1403 35.6714 19.9946 35.6714 2.32727 GPRESSAVG: 1180000 -10.7586 -14.3699 21.2698 -13.3785 46.5718 35.2632 21.1579 36.1061 2.09569 TIMING: 1180000 CPU: 3717.64, 0.00316126/step Wall: 3717.64, 0.00316126/step, 3.35444 hours remaining, 238.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1180000 3954.1270 20406.0328 14367.7101 230.9805 -203377.1788 2789.3157 0.0000 0.0000 52189.6938 -109439.3189 299.9349 -161629.0127 -109075.9673 299.5123 65.8431 95.7355 763695.3784 12.9148 12.6363 PRESSURE: 1180200 -390.23 174.57 195.702 174.57 -233.225 -115.954 195.703 -115.955 67.2826 GPRESSURE: 1180200 -367.066 94.4152 102.464 232.893 -108.229 -154.543 -91.8131 -113.811 1.75818 PRESSAVG: 1180200 52.168 49.0941 3.53178 49.0941 -78.0749 69.2211 3.53182 69.2212 -17.4628 GPRESSAVG: 1180200 51.3274 50.9899 0.977309 47.2011 -76.975 69.4999 1.72997 68.7765 -17.5489 TIMING: 1180200 CPU: 3718.27, 0.00316638/step Wall: 3718.27, 0.00316638/step, 3.3597 hours remaining, 238.750000 MB of memory in use. ENERGY: 1180200 3999.9219 20469.1344 14442.7952 261.7959 -202841.1616 2433.6119 0.0000 0.0000 52011.3601 -109222.5421 298.9100 -161233.9022 -108860.8656 299.7442 -185.3908 -157.8456 765830.1084 -14.4566 -14.3988 LDB: ============= START OF LOAD BALANCING ============== 3730.67 LDB: ============== END OF LOAD BALANCING =============== 3730.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3730.67 LDB: ============= START OF LOAD BALANCING ============== 3730.99 LDB: Largest compute 7035 load 0.034364 is 17.5% of average load 0.195970 LDB: Average compute 0.004353 is 2.2% of average load 0.195970 LDB: TIME 3730.99 LOAD: AVG 0.19597 MAX 0.214571 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.375 MB LDB: TIME 3730.99 LOAD: AVG 0.19597 MAX 0.214571 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 3730.99 LOAD: AVG 0.19597 MAX 0.214571 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: ============== END OF LOAD BALANCING =============== 3731 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3731 PRESSURE: 1180400 -262.398 0.705618 51.7218 0.706392 -19.8239 -40.7147 51.7222 -40.7147 518.981 GPRESSURE: 1180400 -230.727 -33.412 14.6094 -17.7377 -7.09628 27.8271 -21.2193 -67.6502 553.678 PRESSAVG: 1180400 -12.4205 11.138 34.721 11.138 -1.49515 9.31465 34.7211 9.31465 14.6072 GPRESSAVG: 1180400 -12.5963 11.0518 37.3255 11.7669 -2.45483 11.0851 33.9381 6.42972 15.5263 TIMING: 1180400 CPU: 3718.92, 0.00324472/step Wall: 3718.92, 0.00324472/step, 3.44264 hours remaining, 237.320312 MB of memory in use. ENERGY: 1180400 3988.8510 20359.4334 14434.8374 248.8927 -203253.2095 2821.7952 0.0000 0.0000 52154.5525 -109244.8473 299.7329 -161399.3998 -108865.8600 299.5917 78.9197 105.2848 763120.2500 0.2305 0.1584 PRESSURE: 1180600 -72.7619 97.0993 -274.946 97.0991 63.8204 -42.5739 -274.946 -42.5739 98.7638 GPRESSURE: 1180600 98.3788 69.9436 -312.011 42.0418 81.6581 17.9742 -199.322 -116.033 -20.7593 PRESSAVG: 1180600 -16.744 -11.8475 14.7065 -11.8476 21.6277 22.5727 14.7065 22.5727 7.36743 GPRESSAVG: 1180600 -15.8491 -13.7779 13.0213 -13.3671 21.7745 21.9313 16.2365 25.8259 6.43916 TIMING: 1180600 CPU: 3719.55, 0.00317455/step Wall: 3719.55, 0.00317455/step, 3.36802 hours remaining, 237.359375 MB of memory in use. ENERGY: 1180600 3978.9996 20522.0217 14419.8321 255.5442 -203136.2337 2736.8736 0.0000 0.0000 52027.9279 -109195.0346 299.0052 -161222.9625 -108839.4822 299.7847 29.9408 53.0925 763007.4248 4.0837 4.1215 PRESSURE: 1180800 41.1732 -55.7449 -176.973 -55.7461 -98.2672 212.595 -176.973 212.595 -296.061 GPRESSURE: 1180800 137.321 -31.3743 -80.8343 -112.005 -123.175 132.788 -139.587 217.45 -281.605 PRESSAVG: 1180800 81.6835 -23.986 -11.6923 -23.986 -81.8711 -0.515692 -11.6922 -0.515636 4.57399 GPRESSAVG: 1180800 82.2901 -22.9752 -9.37025 -22.6517 -82.8077 -2.67152 -10.9283 0.00808502 5.18789 TIMING: 1180800 CPU: 3720.19, 0.00316353/step Wall: 3720.19, 0.00316353/step, 3.35615 hours remaining, 237.359375 MB of memory in use. ENERGY: 1180800 3994.0486 20575.0718 14412.7172 269.6739 -202887.4119 2258.6636 0.0000 0.0000 52316.9204 -109060.3166 300.6661 -161377.2369 -108700.2622 299.7840 -117.7185 -89.1529 762946.4540 1.4622 1.5567 PRESSURE: 1181000 62.653 -20.391 -71.2563 -20.3911 -163.816 87.3909 -71.2556 87.3915 -17.9369 GPRESSURE: 1181000 87.9422 -47.8343 -163.567 -12.9816 -57.0562 78.2974 -26.0197 -53.3852 -80.2535 PRESSAVG: 1181000 91.7251 -55.908 -36.7759 -55.908 -103.949 59.239 -36.7759 59.2389 -15.4173 GPRESSAVG: 1181000 90.8826 -56.4697 -36.7423 -55.4735 -102.507 60.0286 -38.1904 56.228 -15.982 TIMING: 1181000 CPU: 3720.82, 0.00315193/step Wall: 3720.82, 0.00315193/step, 3.34368 hours remaining, 237.359375 MB of memory in use. ENERGY: 1181000 4025.7158 20632.1799 14408.2691 244.3990 -203176.0299 2506.1283 0.0000 0.0000 52254.9347 -109104.4030 300.3098 -161359.3378 -108749.9371 299.9366 -39.7000 -16.4558 762508.6639 -9.2139 -9.2021 PRESSURE: 1181200 -81.711 55.7608 -63.07 55.7611 -205.236 210.735 -63.0694 210.736 -353.765 GPRESSURE: 1181200 -11.4017 -30.2671 -7.44521 199.317 -258.645 158.618 -13.7504 282.503 -291.175 PRESSAVG: 1181200 43.3059 23.2733 -23.3713 23.2734 -60.5429 26.3956 -23.3712 26.3957 -14.6781 GPRESSAVG: 1181200 43.5747 22.3184 -24.2983 23.7531 -61.3983 26.5645 -24.4746 26.4488 -14.6752 TIMING: 1181200 CPU: 3721.45, 0.00314592/step Wall: 3721.45, 0.00314592/step, 3.33712 hours remaining, 237.359375 MB of memory in use. ENERGY: 1181200 4019.6358 20597.6285 14403.5785 235.3491 -203117.5523 2659.4132 0.0000 0.0000 52132.0784 -109069.8688 299.6038 -161201.9471 -108702.0189 299.8334 -213.5706 -187.0738 762132.4388 -10.6383 -10.8329 PRESSURE: 1181400 -249.502 127.552 20.8145 127.552 -246.208 -9.82307 20.8148 -9.82344 -134.953 GPRESSURE: 1181400 -104.408 161.518 -34.8219 37.1715 -238.371 31.3594 21.4311 -30.2954 -202.614 PRESSAVG: 1181400 32.9741 15.724 -48.3028 15.724 3.17795 8.27757 -48.3029 8.27743 -14.0234 GPRESSAVG: 1181400 33.2419 14.7594 -47.2685 15.1158 2.26097 9.42276 -49.0514 10.0522 -13.6792 TIMING: 1181400 CPU: 3722.08, 0.00315501/step Wall: 3722.08, 0.00315501/step, 3.34659 hours remaining, 237.359375 MB of memory in use. ENERGY: 1181400 4072.9935 20526.8882 14481.9050 229.3762 -203201.7780 2500.9452 0.0000 0.0000 52175.9372 -109213.7327 299.8558 -161389.6700 -108858.9611 300.3283 -210.2210 -181.7977 762712.8913 7.3762 7.2746 PRESSURE: 1181600 -325.429 175.248 -117.906 175.249 -304.54 -156.024 -117.906 -156.024 -141.772 GPRESSURE: 1181600 -228.147 193.97 -225.595 143.685 -240.836 -40.3298 -60.5297 -232.874 -208.236 PRESSAVG: 1181600 25.9875 -8.46717 -21.1104 -8.46718 -41.2841 -59.5786 -21.1104 -59.5785 -7.30732 GPRESSAVG: 1181600 25.3575 -5.77985 -22.1141 -8.74257 -40.1343 -59.0054 -18.9217 -61.992 -7.18807 TIMING: 1181600 CPU: 3722.7, 0.00313875/step Wall: 3722.7, 0.00313875/step, 3.32916 hours remaining, 237.359375 MB of memory in use. ENERGY: 1181600 3967.9285 20391.2869 14507.0002 259.4566 -202812.6358 2202.1353 0.0000 0.0000 52339.5695 -109145.2588 300.7962 -161484.8283 -108775.9989 299.9501 -257.2469 -225.7395 763392.8771 -7.5346 -7.3216 PRESSURE: 1181800 -471.293 -68.3368 37.038 -68.3364 -34.0745 106.106 37.0375 106.107 -159.64 GPRESSURE: 1181800 -387.673 -63.8056 114.72 -147.037 -7.03132 164.107 120.526 76.5241 -194.456 PRESSAVG: 1181800 41.1329 -6.91777 -17.0364 -6.91778 -30.0072 -30.9413 -17.0365 -30.9413 18.8997 GPRESSAVG: 1181800 41.9762 -7.78876 -16.3603 -6.8225 -30.3876 -31.3884 -16.4382 -29.7973 18.3874 TIMING: 1181800 CPU: 3723.33, 0.00313071/step Wall: 3723.33, 0.00313071/step, 3.32047 hours remaining, 237.359375 MB of memory in use. ENERGY: 1181800 3970.2542 20530.5922 14473.6740 269.7992 -202924.2855 2327.1747 0.0000 0.0000 52344.8453 -109007.9458 300.8265 -161352.7912 -108629.0785 300.3816 -221.6691 -196.3868 763022.8276 10.0084 9.9920 PRESSURE: 1182000 140.47 82.9464 -175.868 82.946 -75.5561 -66.4824 -175.869 -66.4819 246.987 GPRESSURE: 1182000 109.181 57.5852 -151.665 63.1765 16.5067 -84.4531 -71.9881 5.03782 253.853 PRESSAVG: 1182000 59.4986 -3.1003 36.8536 -3.10029 -56.6313 64.9345 36.8536 64.9345 7.21216 GPRESSAVG: 1182000 58.9347 -2.13853 37.5743 -2.60822 -56.6103 65.0523 36.4519 64.7749 7.73334 TIMING: 1182000 CPU: 3723.96, 0.00314888/step Wall: 3723.96, 0.00314888/step, 3.33956 hours remaining, 237.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1182000 3927.2735 20557.6039 14506.3914 261.7905 -202968.7048 2489.7357 0.0000 0.0000 52138.7786 -109087.1313 299.6423 -161225.9099 -108716.3709 300.3644 103.9671 126.5135 761230.7202 3.3598 3.3526 PRESSURE: 1182200 253.845 -122.172 -75.5699 -122.172 -144 67.2081 -75.5704 67.2091 19.5236 GPRESSURE: 1182200 234.459 -214.346 -33.4874 -20.4845 -113.138 97.5678 -44.5567 -42.7118 109.027 PRESSAVG: 1182200 89.4837 -15.9411 36.4744 -15.9411 -54.7097 30.5695 36.4744 30.5695 10.0481 GPRESSAVG: 1182200 88.7545 -19.661 33.6682 -15.168 -53.7697 31.4276 36.9955 29.9925 10.32 TIMING: 1182200 CPU: 3724.59, 0.00316778/step Wall: 3724.59, 0.00316778/step, 3.35943 hours remaining, 237.359375 MB of memory in use. ENERGY: 1182200 3920.2815 20531.8235 14481.6899 260.7649 -203280.2130 2620.5203 0.0000 0.0000 52300.7603 -109164.3728 300.5732 -161465.1330 -108799.0934 300.6284 43.1229 76.7826 762041.8352 14.9407 15.1016 PRESSURE: 1182400 -15.2806 175.599 -72.7158 175.599 -154.408 194.955 -72.7156 194.955 -403.853 GPRESSURE: 1182400 -5.52427 107.336 -126.645 137.988 -66.0086 246.1 28.8225 132.658 -426.584 PRESSAVG: 1182400 53.5082 36.5761 -15.9947 36.5761 -36.2202 41.6973 -15.9948 41.6973 -3.53324 GPRESSAVG: 1182400 54.4024 39.4086 -14.154 33.7302 -37.8556 41.5159 -14.5971 42.1268 -3.03227 TIMING: 1182400 CPU: 3725.23, 0.00315907/step Wall: 3725.23, 0.00315907/step, 3.35002 hours remaining, 237.359375 MB of memory in use. ENERGY: 1182400 4063.6207 20581.0300 14447.8236 235.7276 -203227.3774 2448.7481 0.0000 0.0000 52016.9325 -109433.4948 298.9420 -161450.4273 -109073.6146 299.9824 -191.1805 -166.0389 758922.2434 4.5849 4.5048 PRESSURE: 1182600 295.53 -116.948 -38.2598 -116.947 -20.9055 62.5058 -38.2592 62.5059 176.184 GPRESSURE: 1182600 329.858 -105.557 120.33 -45.6707 15.7985 177.423 -64.0657 -59.5694 181.378 PRESSAVG: 1182600 -40.1759 -14.318 9.85453 -14.318 3.7303 40.3498 9.85451 40.3499 19.5553 GPRESSAVG: 1182600 -39.7765 -12.8986 10.2951 -13.334 2.97502 39.6271 8.73549 41.7777 19.5109 TIMING: 1182600 CPU: 3725.86, 0.00315217/step Wall: 3725.86, 0.00315217/step, 3.34253 hours remaining, 237.359375 MB of memory in use. ENERGY: 1182600 3936.7498 20502.7958 14411.2855 242.7555 -203138.2974 2268.7986 0.0000 0.0000 52200.7866 -109575.1255 299.9986 -161775.9121 -109209.0348 299.1468 150.2693 175.6784 760117.6020 -5.6301 -5.7635 PRESSURE: 1182800 -227.763 -94.2539 -158.322 -94.2545 -238.655 -58.6979 -158.322 -58.6973 -127.796 GPRESSURE: 1182800 -226.756 44.8398 -164.569 -35.9066 -182.39 16.1471 -91.6263 -43.1664 -88.6855 PRESSAVG: 1182800 9.98695 -11.5623 -48.338 -11.5624 2.79979 57.4309 -48.338 57.4308 -17.1103 GPRESSAVG: 1182800 8.8024 -12.6198 -48.5607 -11.6011 3.95846 57.393 -52.3755 55.8 -17.069 TIMING: 1182800 CPU: 3726.49, 0.0031539/step Wall: 3726.49, 0.0031539/step, 3.34419 hours remaining, 237.359375 MB of memory in use. ENERGY: 1182800 3920.8483 20469.8750 14427.9904 248.4606 -202873.1694 2067.5797 0.0000 0.0000 52151.7955 -109586.6199 299.7171 -161738.4154 -109222.9754 299.4276 -198.0715 -165.9436 760684.9081 -1.4412 -1.4361 PRESSURE: 1183000 195.319 -83.4201 138.543 -83.4208 17.0685 -307.851 138.544 -307.852 98.8291 GPRESSURE: 1183000 203.756 51.4166 119.566 -162.212 72.2769 -213.13 116.314 -289.7 113.242 PRESSAVG: 1183000 -51.5925 -41.0387 -38.7658 -41.0387 30.9747 19.3959 -38.7658 19.3959 -8.45412 GPRESSAVG: 1183000 -51.0221 -42.1441 -38.1973 -39.9018 31.2983 19.7992 -37.7322 20.6681 -9.65122 TIMING: 1183000 CPU: 3727.12, 0.00314828/step Wall: 3727.12, 0.00314828/step, 3.33805 hours remaining, 237.359375 MB of memory in use. ENERGY: 1183000 4001.1787 20598.2535 14481.5783 244.6449 -203087.6285 2481.5433 0.0000 0.0000 51877.4187 -109403.0112 298.1402 -161280.4299 -109053.1988 299.1477 103.7389 129.7583 761458.1919 -9.6907 -9.7917 PRESSURE: 1183200 -100.519 115.384 47.42 115.383 -6.54398 -373.564 47.4199 -373.562 -208.978 GPRESSURE: 1183200 -156.726 160.833 117.71 9.75368 152.424 -215.953 13.8183 -253.083 -231.888 PRESSAVG: 1183200 30.6379 -4.14684 32.6112 -4.14681 -82.0139 0.0269665 32.6112 0.0269301 -5.30901 GPRESSAVG: 1183200 30.7811 -2.83269 32.3965 -7.05977 -82.2414 -2.26128 33.2896 1.02586 -4.98019 TIMING: 1183200 CPU: 3727.75, 0.0031429/step Wall: 3727.75, 0.0031429/step, 3.33217 hours remaining, 237.359375 MB of memory in use. ENERGY: 1183200 4015.7372 20528.8339 14478.5028 247.2495 -203195.3673 2545.8151 0.0000 0.0000 51872.4941 -109506.7347 298.1119 -161379.2289 -109147.6790 299.0378 -105.3469 -78.7301 762214.4715 -18.8950 -18.8135 PRESSURE: 1183400 -326.534 -296.731 292.339 -296.732 -80.3938 -132.253 292.339 -132.252 -367.687 GPRESSURE: 1183400 -324.316 -213.15 272.715 -165.864 -12.57 -123.182 306.607 -60.2733 -358.386 PRESSAVG: 1183400 37.4586 -33.9962 73.9581 -33.9962 -9.39978 -41.7594 73.9582 -41.7594 7.69085 GPRESSAVG: 1183400 37.1773 -33.8191 73.1021 -33.3993 -8.71057 -41.1261 74.4155 -42.505 7.26202 TIMING: 1183400 CPU: 3728.38, 0.00316117/step Wall: 3728.38, 0.00316117/step, 3.35137 hours remaining, 237.359375 MB of memory in use. ENERGY: 1183400 3988.7475 20255.5642 14432.7516 255.4329 -202544.1002 1904.8447 0.0000 0.0000 52228.8315 -109477.9277 300.1598 -161706.7593 -109098.8250 298.7959 -258.2050 -231.7573 761832.3450 11.9165 11.9096 PRESSURE: 1183600 139.839 -67.2341 -33.3624 -67.2342 -319.886 -97.2623 -33.3623 -97.2639 -286.189 GPRESSURE: 1183600 56.3242 27.2467 88.8343 48.8097 -198.562 -163.814 -24.129 -175.557 -236.454 PRESSAVG: 1183600 17.4459 -36.0863 22.5958 -36.0862 12.3006 -13.662 22.5958 -13.6619 -8.30083 GPRESSAVG: 1183600 17.8805 -37.0379 23.7849 -33.5195 10.7778 -11.913 22.0194 -15.2697 -6.33748 TIMING: 1183600 CPU: 3729.01, 0.00316177/step Wall: 3729.01, 0.00316177/step, 3.35182 hours remaining, 237.359375 MB of memory in use. ENERGY: 1183600 4011.5325 20266.9323 14455.3330 224.9307 -202992.9599 2383.0097 0.0000 0.0000 52082.7267 -109568.4950 299.3201 -161651.2217 -109211.6119 299.2233 -155.4120 -126.2305 762491.6071 7.1485 7.4403 PRESSURE: 1183800 367.84 -217.299 78.3176 -217.298 133.667 104.909 78.3166 104.908 243.62 GPRESSURE: 1183800 378.398 -104.291 87.8559 -294.486 152.701 72.4142 97.7457 79.5917 301.591 PRESSAVG: 1183800 76.9843 -25.2019 5.39643 -25.202 -40.9085 27.2409 5.39646 27.241 20.3233 GPRESSAVG: 1183800 76.0065 -24.3171 4.73504 -29.8501 -39.8289 28.2248 5.34314 27.538 19.9376 TIMING: 1183800 CPU: 3729.64, 0.00316681/step Wall: 3729.64, 0.00316681/step, 3.357 hours remaining, 237.359375 MB of memory in use. ENERGY: 1183800 4085.7611 20355.1592 14435.5574 246.8383 -203722.7519 3034.2034 0.0000 0.0000 52069.3233 -109495.9091 299.2431 -161565.2324 -109130.8265 299.3539 248.3754 277.5635 760181.1559 18.7997 18.7051 PRESSURE: 1184000 -104.266 -43.6939 -27.0335 -43.6944 -58.8909 25.126 -27.0337 25.1254 157.596 GPRESSURE: 1184000 -65.6037 30.7241 -33.5343 0.53263 40.556 -54.9134 48.6322 78.917 126.773 PRESSAVG: 1184000 40.4343 -5.01377 10.4128 -5.01381 -47.8059 38.2695 10.4128 38.2695 17.5458 GPRESSAVG: 1184000 42.0135 -5.22725 10.8713 -1.9482 -48.4356 37.8728 10.3984 37.4239 16.9174 TIMING: 1184000 CPU: 3730.28, 0.00316534/step Wall: 3730.28, 0.00316534/step, 3.35526 hours remaining, 237.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1184000 3959.5373 20525.9639 14461.3605 237.1912 -203014.3020 2423.4674 0.0000 0.0000 52165.1697 -109241.6119 299.7939 -161406.7816 -108884.5309 299.5720 -1.8538 33.9083 762428.1821 3.3914 3.4984 PRESSURE: 1184200 -198.334 -5.29367 -170.097 -5.29305 -223.57 179.218 -170.096 179.218 -497.418 GPRESSURE: 1184200 -175.662 48.3773 -154.582 43.1282 -177.026 170.101 -207.496 166.22 -477.73 PRESSAVG: 1184200 14.0831 16.2298 19.7346 16.2298 -9.28912 -1.95524 19.7346 -1.95521 4.7952 GPRESSAVG: 1184200 13.7043 16.4939 19.2208 16.0295 -9.13174 -3.2043 20.6449 -0.805818 4.84688 TIMING: 1184200 CPU: 3730.91, 0.00315444/step Wall: 3730.91, 0.00315444/step, 3.34353 hours remaining, 237.359375 MB of memory in use. ENERGY: 1184200 4061.6714 20478.6349 14450.8575 241.2182 -202880.9696 2345.0677 0.0000 0.0000 52226.5470 -109076.9730 300.1467 -161303.5200 -108703.9246 299.8497 -306.4409 -276.8057 761970.8890 3.1964 3.1398 LDB: ============= START OF LOAD BALANCING ============== 3743.31 LDB: ============== END OF LOAD BALANCING =============== 3743.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3743.31 LDB: ============= START OF LOAD BALANCING ============== 3743.63 LDB: Largest compute 7035 load 0.031810 is 16.2% of average load 0.195966 LDB: Average compute 0.004359 is 2.2% of average load 0.195966 LDB: TIME 3743.63 LOAD: AVG 0.195966 MAX 0.215003 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.152 MB LDB: TIME 3743.63 LOAD: AVG 0.195966 MAX 0.215003 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: TIME 3743.63 LOAD: AVG 0.195966 MAX 0.215003 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: ============== END OF LOAD BALANCING =============== 3743.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3743.64 PRESSURE: 1184400 268.387 -122.518 56.9079 -122.518 180.454 -384.507 56.9082 -384.507 -190.826 GPRESSURE: 1184400 323.908 -173.145 40.9608 -37.6008 190.197 -330.815 68.5766 -206.236 -187.921 PRESSAVG: 1184400 50.9978 28.1174 29.808 28.1174 37.535 -16.4278 29.808 -16.4278 -17.3121 GPRESSAVG: 1184400 50.6104 27.6432 31.4353 26.6814 38.17 -15.5713 29.2539 -17.7654 -17.5313 TIMING: 1184400 CPU: 3731.55, 0.00323636/step Wall: 3731.55, 0.00323636/step, 3.43019 hours remaining, 237.886719 MB of memory in use. ENERGY: 1184400 3894.4595 20624.4696 14461.8982 240.8991 -203055.1121 2713.4767 0.0000 0.0000 52085.8229 -109034.0861 299.3379 -161119.9090 -108674.9512 300.2401 86.0049 108.7278 762030.3295 23.7402 23.7497 PRESSURE: 1184600 176.063 -407.114 34.7688 -407.114 242.539 -134.888 34.7692 -134.889 118.155 GPRESSURE: 1184600 204.038 -376.343 -12.9877 -431.091 295.266 -162.898 35.1162 -167.427 114.063 PRESSAVG: 1184600 29.8339 -29.6221 14.0067 -29.6221 -22.9212 -23.5478 14.0067 -23.5477 -11.8185 GPRESSAVG: 1184600 29.7138 -29.589 11.6926 -29.6386 -22.803 -22.2606 12.6125 -23.6264 -11.8561 TIMING: 1184600 CPU: 3732.18, 0.00314583/step Wall: 3732.18, 0.00314583/step, 3.33405 hours remaining, 238.144531 MB of memory in use. ENERGY: 1184600 3948.3582 20582.0297 14374.4655 236.6512 -202684.9373 2240.7247 0.0000 0.0000 52302.1530 -109000.5549 300.5812 -161302.7079 -108649.8477 300.6244 178.9188 204.4554 762447.4509 -1.6353 -1.6484 PRESSURE: 1184800 127.842 -0.884753 270.597 -0.88463 378.87 54.537 270.597 54.5367 -26.0357 GPRESSURE: 1184800 254.741 11.7005 298.543 44.9736 314.109 106.044 163.051 -87.6467 3.7912 PRESSAVG: 1184800 -41.4671 -63.2119 47.3414 -63.2118 31.0447 -1.59727 47.3414 -1.59725 5.96272 GPRESSAVG: 1184800 -41.0826 -63.9529 47.4625 -62.1381 30.5565 -5.35334 48.2737 1.22101 6.41987 TIMING: 1184800 CPU: 3732.81, 0.00314375/step Wall: 3732.81, 0.00314375/step, 3.33168 hours remaining, 238.179688 MB of memory in use. ENERGY: 1184800 3932.4980 20575.4247 14428.4966 246.7595 -203585.0469 2850.9608 0.0000 0.0000 52359.2915 -109191.6156 300.9096 -161550.9072 -108821.4425 300.3581 160.2254 190.8804 762645.7123 -1.4865 -1.3687 PRESSURE: 1185000 -36.5445 165.656 -209.181 165.656 -38.2608 -66.2058 -209.18 -66.207 120.17 GPRESSURE: 1185000 29.2107 144.96 -287.356 168.202 -20.2123 -49.2472 -153.195 -19.4203 131.373 PRESSAVG: 1185000 -58.8628 10.002 -14.6629 10.002 18.1436 -55.5399 -14.6629 -55.5399 -6.441 GPRESSAVG: 1185000 -59.0869 10.8493 -12.4646 11.1863 18.1213 -52.5801 -14.2505 -54.0312 -6.36302 TIMING: 1185000 CPU: 3733.44, 0.00315665/step Wall: 3733.44, 0.00315665/step, 3.34517 hours remaining, 238.179688 MB of memory in use. ENERGY: 1185000 3940.2115 20657.9630 14468.3697 241.1403 -202713.6679 2333.9745 0.0000 0.0000 52256.5890 -108815.4198 300.3193 -161072.0088 -108452.9049 300.5405 15.1216 46.7905 762677.1180 -15.7200 -15.7762 PRESSURE: 1185200 167.508 -81.0779 -37.3383 -81.0773 67.0914 -146.941 -37.3388 -146.941 535.393 GPRESSURE: 1185200 161.853 58.794 26.8608 32.7759 151.657 -92.3525 -172.735 -266.198 538.428 PRESSAVG: 1185200 -18.0547 -37.8455 -15.6382 -37.8455 12.4616 -16.2469 -15.6382 -16.2468 -17.8203 GPRESSAVG: 1185200 -17.9168 -39.3482 -16.6051 -37.4403 13.2647 -16.3733 -15.8015 -19.1912 -18.5637 TIMING: 1185200 CPU: 3734.07, 0.0031501/step Wall: 3734.07, 0.0031501/step, 3.33806 hours remaining, 238.179688 MB of memory in use. ENERGY: 1185200 4010.2513 20393.6206 14430.4083 258.5817 -203324.4518 2801.5820 0.0000 0.0000 52312.3142 -109117.6937 300.6396 -161430.0079 -108753.0235 299.8057 256.6641 283.9795 760916.8744 -7.8045 -7.7386 PRESSURE: 1185400 157.299 -163.583 -274.588 -163.584 -76.7023 103.666 -274.588 103.665 3.51481 GPRESSURE: 1185400 147.51 -87.6186 -263.159 -198.759 26.224 132.171 -161.194 -57.2669 5.97763 PRESSAVG: 1185400 16.3022 -32.3982 -30.8133 -32.3982 -5.49188 -76.0825 -30.8133 -76.0825 10.9274 GPRESSAVG: 1185400 15.9436 -31.4371 -30.9333 -34.1413 -4.31628 -76.6546 -30.523 -76.5087 10.6481 TIMING: 1185400 CPU: 3734.71, 0.00316444/step Wall: 3734.71, 0.00316444/step, 3.35308 hours remaining, 238.179688 MB of memory in use. ENERGY: 1185400 3930.4214 20434.3712 14509.5013 251.6311 -202617.5250 2455.5930 0.0000 0.0000 52154.2192 -108881.7877 299.7310 -161036.0068 -108511.1381 300.2667 28.0373 59.9040 762053.5458 7.2459 7.4251 PRESSURE: 1185600 107.152 -54.8225 160.655 -54.8221 -102.283 119.747 160.654 119.747 179.387 GPRESSURE: 1185600 114.241 -12.0766 103.106 -25.6137 -112.497 138.991 164.343 71.7592 257.115 PRESSAVG: 1185600 -41.8643 2.99349 20.5331 2.99346 59.0995 21.0294 20.5331 21.0295 -0.37485 GPRESSAVG: 1185600 -41.749 2.43684 20.3722 4.26751 57.7409 20.3923 18.6077 21.6897 0.640454 TIMING: 1185600 CPU: 3735.34, 0.00315348/step Wall: 3735.34, 0.00315348/step, 3.34129 hours remaining, 238.179688 MB of memory in use. ENERGY: 1185600 4062.3501 20403.3481 14460.7809 247.9014 -202854.3121 2520.0254 0.0000 0.0000 52245.3505 -108914.5558 300.2547 -161159.9063 -108541.3039 300.5008 61.4186 86.2863 761918.3552 5.6201 5.5441 PRESSURE: 1185800 -347.02 125.509 152.376 125.509 -317.307 -111.398 152.376 -111.4 93.0223 GPRESSURE: 1185800 -385.89 164.567 88.4991 129.361 -169.008 -100.499 169.584 -83.4046 85.1207 PRESSAVG: 1185800 1.99349 -11.0638 11.89 -11.0639 6.34419 11.6201 11.8899 11.6201 2.84788 GPRESSAVG: 1185800 2.03052 -10.4404 12.269 -11.7783 7.15034 12.8607 15.0622 11.4194 2.52419 TIMING: 1185800 CPU: 3735.97, 0.00317935/step Wall: 3735.97, 0.00317935/step, 3.36852 hours remaining, 238.179688 MB of memory in use. ENERGY: 1185800 4036.1881 20382.7885 14518.9364 246.4721 -203025.1999 2428.7249 0.0000 0.0000 52360.2858 -109051.8040 300.9153 -161412.0898 -108682.7075 300.2820 -190.4350 -156.5924 760790.8597 3.7285 3.9017 PRESSURE: 1186000 303.991 -154.188 103.973 -154.188 301.529 166.149 103.972 166.15 222.677 GPRESSURE: 1186000 309.793 -215.267 161.696 -149.178 398.205 123.934 127.547 171.573 207.272 PRESSAVG: 1186000 -3.84927 1.95491 25.4698 1.95489 -20.964 -44.4169 25.4699 -44.4169 -0.163944 GPRESSAVG: 1186000 -2.99901 1.31306 25.9784 3.62913 -21.8753 -45.6757 22.116 -44.1104 -0.562871 TIMING: 1186000 CPU: 3736.61, 0.00317821/step Wall: 3736.61, 0.00317821/step, 3.36714 hours remaining, 238.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1186000 3958.1440 20766.2821 14477.3850 246.1816 -203551.4964 2742.2183 0.0000 0.0000 52316.8007 -109044.4848 300.6654 -161361.2855 -108687.4837 300.3046 276.0653 305.0903 759161.1047 -8.3257 -8.4790 PRESSURE: 1186200 377.894 -126.855 217.883 -126.856 -229.698 127.809 217.882 127.809 228.857 GPRESSURE: 1186200 387.736 -135.982 265.418 -96.3792 -99.2792 96.6311 128.469 183.353 180.826 PRESSAVG: 1186200 44.1284 -46.8974 49.5959 -46.8974 -20.2381 -14.9635 49.5959 -14.9635 -0.330349 GPRESSAVG: 1186200 45.3239 -46.8005 49.4248 -49.3396 -21.082 -14.4613 50.0232 -14.4498 -0.00656569 TIMING: 1186200 CPU: 3737.24, 0.00317675/step Wall: 3737.24, 0.00317675/step, 3.36541 hours remaining, 238.179688 MB of memory in use. ENERGY: 1186200 4014.3584 20490.4214 14442.2404 254.0396 -203059.0103 2414.0549 0.0000 0.0000 52352.7135 -109091.1822 300.8718 -161443.8957 -108731.6216 300.7150 125.6841 156.4274 760550.6862 7.8533 8.0784 PRESSURE: 1186400 -99.5898 -1.62457 -4.68243 -1.62405 -115.267 50.751 -4.68364 50.7507 -146.977 GPRESSURE: 1186400 -98.1652 -4.92278 66.7435 71.6432 -137.352 18.5355 -109.911 -17.4376 -43.0732 PRESSAVG: 1186400 33.1258 -37.846 -12.2087 -37.846 -21.7758 2.29843 -12.2087 2.2984 -17.4343 GPRESSAVG: 1186400 33.353 -37.4034 -11.9706 -37.2806 -21.9566 1.40258 -10.8718 3.73661 -17.1184 TIMING: 1186400 CPU: 3737.88, 0.00319055/step Wall: 3737.88, 0.00319055/step, 3.37985 hours remaining, 238.179688 MB of memory in use. ENERGY: 1186400 3971.1222 20575.0423 14382.9474 248.0393 -203077.3715 2202.5816 0.0000 0.0000 52188.6634 -109508.9753 299.9290 -161697.6387 -109142.1763 299.8804 -120.6114 -92.8634 760075.4904 -2.0281 -1.9073 PRESSURE: 1186600 330.679 -15.4883 111.042 -15.4884 -21.1371 -92.2765 111.042 -92.2762 -483.123 GPRESSURE: 1186600 283.548 -15.8574 114.083 -55.1474 111.704 -94.8872 169.242 -74.2667 -498.758 PRESSAVG: 1186600 23.3149 -45.7539 -33.5525 -45.7539 -26.7857 8.39153 -33.5525 8.39149 -10.991 GPRESSAVG: 1186600 22.0358 -45.9289 -34.4258 -46.9674 -24.943 8.57962 -31.6153 6.46049 -11.3207 TIMING: 1186600 CPU: 3738.52, 0.0031845/step Wall: 3738.52, 0.0031845/step, 3.37327 hours remaining, 238.179688 MB of memory in use. ENERGY: 1186600 3995.0344 20432.6518 14432.9704 243.8235 -203036.2123 2346.9687 0.0000 0.0000 52234.8510 -109349.9126 300.1944 -161584.7636 -108990.8055 299.5098 -57.8605 -34.5016 760174.8397 -4.8206 -4.7426 PRESSURE: 1186800 -343.716 186.056 231.55 186.057 8.77922 -132.883 231.551 -132.883 238.627 GPRESSURE: 1186800 -135.677 122.654 244.655 139.739 -91.5544 -171.743 220.028 -48.5516 214.429 PRESSAVG: 1186800 22.7641 -29.499 8.42069 -29.499 -28.5479 -20.9316 8.42068 -20.9316 -5.36951 GPRESSAVG: 1186800 23.0855 -26.9296 8.50504 -29.6543 -29.3154 -20.6347 5.84862 -20.3236 -4.80307 TIMING: 1186800 CPU: 3739.15, 0.00315989/step Wall: 3739.15, 0.0031599/step, 3.34703 hours remaining, 238.179688 MB of memory in use. ENERGY: 1186800 3949.7063 20590.4627 14421.9556 246.2425 -203156.8283 2209.0140 0.0000 0.0000 52241.1033 -109498.3439 300.2303 -161739.4472 -109127.0955 299.2995 -32.1033 -4.2675 759114.3199 -3.7178 -3.6777 PRESSURE: 1187000 66.0484 25.3781 -128.224 25.3785 -93.8632 -27.4621 -128.223 -27.4616 449.858 GPRESSURE: 1187000 167.104 -70.9994 -16.1059 19.0652 -81.399 -104.1 -98.2847 -93.2116 429.915 PRESSAVG: 1187000 17.7228 10.9161 -13.2887 10.9162 -8.88792 -24.1946 -13.2886 -24.1945 -16.4095 GPRESSAVG: 1187000 17.0599 8.59309 -12.0281 12.0728 -7.78628 -24.4998 -11.6415 -24.5639 -17.0382 TIMING: 1187000 CPU: 3739.78, 0.00314669/step Wall: 3739.78, 0.00314669/step, 3.33287 hours remaining, 238.179688 MB of memory in use. ENERGY: 1187000 3908.3402 20642.1894 14335.1214 247.1086 -203673.3702 2563.5345 0.0000 0.0000 52575.8155 -109401.2607 302.1539 -161977.0762 -109036.8927 300.0878 140.6812 171.8733 757119.6603 -2.5249 -2.5882 PRESSURE: 1187200 190.101 -90.1862 19.2813 -90.1858 80.4339 58.0874 19.2812 58.0884 413.204 GPRESSURE: 1187200 196.15 -100.694 -51.2485 -42.0634 170.757 27.6815 -49.0464 205.033 434.143 PRESSAVG: 1187200 67.7983 -0.21556 -9.0075 -0.215501 -26.1791 12.6012 -9.00749 12.6012 13.6477 GPRESSAVG: 1187200 67.9508 -0.238845 -8.76826 0.853608 -27.0465 11.5006 -12.5127 13.8637 14.64 TIMING: 1187200 CPU: 3740.41, 0.00316118/step Wall: 3740.41, 0.00316118/step, 3.34804 hours remaining, 238.179688 MB of memory in use. ENERGY: 1187200 4023.4245 20489.9578 14474.3486 251.9027 -203092.2507 2309.6642 0.0000 0.0000 52234.4049 -109308.5480 300.1918 -161542.9529 -108941.1521 300.4415 227.9130 267.0165 759197.4041 18.4223 18.5148 PRESSURE: 1187400 364.491 -56.5443 -90.0963 -56.5449 -82.8679 -2.71757 -90.0951 -2.71834 38.5259 GPRESSURE: 1187400 349.026 -102.463 -48.8265 -86.1843 26.8886 27.8758 -142.382 -84.5117 42.8846 PRESSAVG: 1187400 3.60714 -18.8591 -19.3891 -18.8591 -3.84464 39.5216 -19.3891 39.5216 -7.92462 GPRESSAVG: 1187400 3.47576 -17.5316 -20.2928 -19.9308 -3.41355 40.9943 -17.3516 37.3026 -8.35762 TIMING: 1187400 CPU: 3741.04, 0.00314912/step Wall: 3741.04, 0.00314912/step, 3.33509 hours remaining, 238.179688 MB of memory in use. ENERGY: 1187400 4001.3308 20378.2633 14456.4932 258.8258 -203292.8437 2444.2677 0.0000 0.0000 52520.3633 -109233.2996 301.8352 -161753.6630 -108859.0525 300.4802 106.7164 139.5997 760008.9211 -2.7207 -2.7651 PRESSURE: 1187600 -147.677 16.4659 105.447 16.4655 452.693 21.8597 105.448 21.8602 179.071 GPRESSURE: 1187600 -144.649 34.6109 90.9018 -7.90028 452.866 -155.61 40.7388 119.088 260.283 PRESSAVG: 1187600 -4.48191 -64.9106 18.8882 -64.9106 -24.5883 21.2002 18.8882 21.2002 -9.45098 GPRESSAVG: 1187600 -4.50733 -66.3306 18.2102 -63.3833 -24.1743 20.2787 21.7446 19.9093 -9.46165 TIMING: 1187600 CPU: 3741.68, 0.00317225/step Wall: 3741.68, 0.00317225/step, 3.35941 hours remaining, 238.179688 MB of memory in use. ENERGY: 1187600 3997.3316 20515.6934 14495.0268 266.3298 -203459.8099 2620.3150 0.0000 0.0000 52281.2702 -109283.8431 300.4612 -161565.1133 -108929.0454 300.5180 161.3627 189.4998 758352.7221 -12.8404 -12.7144 PRESSURE: 1187800 49.0296 -258.876 185.515 -258.876 290.975 -231.844 185.515 -231.844 570.158 GPRESSURE: 1187800 21.1945 -294.739 172.37 -267.07 285.649 -250.66 122.602 -238.316 683.959 PRESSAVG: 1187800 -6.58717 -45.7472 11.114 -45.7472 49.818 44.3975 11.114 44.3975 -11.135 GPRESSAVG: 1187800 -6.77825 -46.3021 12.6359 -46.5365 49.7465 46.1057 6.9682 46.4607 -11.2701 TIMING: 1187800 CPU: 3742.31, 0.00316723/step Wall: 3742.31, 0.00316723/step, 3.35392 hours remaining, 238.179688 MB of memory in use. ENERGY: 1187800 3877.5179 20517.8738 14443.8504 239.7816 -203280.0572 2578.4816 0.0000 0.0000 52267.7191 -109354.8329 300.3833 -161622.5520 -108988.5542 300.1812 303.3877 330.2676 760029.3798 10.6986 10.5661 PRESSURE: 1188000 210.621 -33.0129 -119.613 -33.0124 10.2084 102.155 -119.613 102.155 142.408 GPRESSURE: 1188000 270.035 0.366697 -124.199 -32.1879 39.8226 166.086 -46.7868 1.59914 121.266 PRESSAVG: 1188000 -24.354 -12.4655 5.59499 -12.4655 -44.7631 88.7718 5.59503 88.7719 -29.3434 GPRESSAVG: 1188000 -23.7698 -13.3182 3.52235 -11.1652 -45.1956 86.9863 7.57366 88.5026 -29.4011 TIMING: 1188000 CPU: 3742.94, 0.00316441/step Wall: 3742.94, 0.00316441/step, 3.35076 hours remaining, 238.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1188000 4012.2701 20651.5849 14345.7546 251.8259 -203313.2477 2604.3061 0.0000 0.0000 52152.6226 -109294.8835 299.7218 -161447.5061 -108938.7344 300.2335 121.0792 143.7078 760017.9306 -32.8201 -32.7888 PRESSURE: 1188200 6.51063 -255.883 154.121 -255.884 -89.2779 139.598 154.121 139.598 -288.618 GPRESSURE: 1188200 20.4155 -227.535 168.585 -182.507 -7.84284 162.906 126.092 161.506 -311.818 PRESSAVG: 1188200 22.1873 -70.9252 -51.8495 -70.9252 -5.24479 43.6696 -51.8495 43.6696 -12.2106 GPRESSAVG: 1188200 21.065 -69.8421 -50.0743 -71.6447 -4.47017 44.8191 -52.9313 42.6174 -11.9855 TIMING: 1188200 CPU: 3743.58, 0.00317446/step Wall: 3743.58, 0.00317446/step, 3.36122 hours remaining, 238.179688 MB of memory in use. ENERGY: 1188200 3980.0195 20578.3718 14429.4049 242.1922 -202828.1800 2197.6371 0.0000 0.0000 52167.8914 -109232.6631 299.8096 -161400.5546 -108870.1039 300.4471 -123.7952 -99.7484 760324.5658 1.5773 1.5365 LDB: ============= START OF LOAD BALANCING ============== 3755.98 LDB: ============== END OF LOAD BALANCING =============== 3755.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3755.98 LDB: ============= START OF LOAD BALANCING ============== 3756.29 LDB: Largest compute 7077 load 0.033159 is 16.9% of average load 0.195953 LDB: Average compute 0.004352 is 2.2% of average load 0.195953 LDB: TIME 3756.3 LOAD: AVG 0.195953 MAX 0.219068 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.117 MB LDB: TIME 3756.3 LOAD: AVG 0.195953 MAX 0.219068 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.117 MB LDB: TIME 3756.3 LOAD: AVG 0.195953 MAX 0.219068 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.117 MB LDB: ============== END OF LOAD BALANCING =============== 3756.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3756.31 PRESSURE: 1188400 63.3448 120.593 221.998 120.594 44.7546 -44.1252 221.997 -44.1249 541.605 GPRESSURE: 1188400 127.546 124.567 282.84 190.228 22.602 -49.4007 77.1274 -134.244 603.245 PRESSAVG: 1188400 -14.6151 -13.4146 -30.958 -13.4146 26.6093 33.937 -30.958 33.937 21.0205 GPRESSAVG: 1188400 -14.4775 -12.5925 -31.6108 -13.7311 25.8782 33.0076 -30.7167 32.6163 22.018 TIMING: 1188400 CPU: 3744.22, 0.00322605/step Wall: 3744.22, 0.00322605/step, 3.41567 hours remaining, 237.628906 MB of memory in use. ENERGY: 1188400 4037.9190 20432.1450 14432.0014 259.8448 -203744.9786 2814.4394 0.0000 0.0000 52331.3887 -109437.2402 300.7492 -161768.6289 -109069.9492 300.1083 216.5681 251.1311 757571.6187 11.0049 11.1396 PRESSURE: 1188600 -46.912 118.054 -139.561 118.054 563.846 -183.825 -139.562 -183.825 -128.497 GPRESSURE: 1188600 69.6672 81.3073 -99.0405 91.64 483.643 -271.76 -161.763 -91.0733 -105.463 PRESSAVG: 1188600 59.1232 2.08697 -16.636 2.08708 -26.5643 -10.7906 -16.636 -10.7907 2.34509 GPRESSAVG: 1188600 59.1659 1.95912 -14.9478 1.73262 -25.6233 -10.2528 -17.8648 -9.82715 0.626704 TIMING: 1188600 CPU: 3744.86, 0.0031572/step Wall: 3744.86, 0.0031572/step, 3.34259 hours remaining, 237.628906 MB of memory in use. ENERGY: 1188600 4063.1393 20563.0893 14386.8717 240.3184 -203387.0858 2341.5652 0.0000 0.0000 52201.2393 -109590.8627 300.0012 -161792.1020 -109228.9882 299.8601 129.4790 149.2826 758799.1831 11.6347 11.3898 PRESSURE: 1188800 -73.3018 -333.858 -281.661 -333.858 148.393 279.324 -281.662 279.324 51.5983 GPRESSURE: 1188800 10.509 -211.967 -268.127 -382.388 103.457 288.949 -194.505 285.167 105.25 PRESSAVG: 1188800 17.0326 -41.918 -70.4996 -41.918 18.9772 18.1616 -70.4996 18.1616 11.1688 GPRESSAVG: 1188800 16.9622 -44.5023 -71.8907 -40.6306 18.3102 18.467 -68.2116 19.2527 11.7403 TIMING: 1188800 CPU: 3745.49, 0.00315312/step Wall: 3745.49, 0.00315312/step, 3.3381 hours remaining, 237.628906 MB of memory in use. ENERGY: 1188800 4071.7920 20690.9358 14406.0211 221.1024 -203299.0533 2406.4480 0.0000 0.0000 52101.4499 -109401.3041 299.4277 -161502.7540 -109046.6202 299.5817 42.2298 73.0722 759327.7405 15.7262 15.6709 PRESSURE: 1189000 -77.0061 -95.7335 296.955 -95.7341 -198.495 -28.4504 296.955 -28.4512 -148.106 GPRESSURE: 1189000 -96.6415 -85.0704 234.037 -225.162 -122.332 -22.4122 194.718 -164.405 -121.035 PRESSAVG: 1189000 -30.0772 -70.253 -52.4752 -70.253 51.2973 16.5062 -52.4752 16.5062 1.77155 GPRESSAVG: 1189000 -30.0852 -68.6416 -53.7066 -70.7836 51.4349 16.5479 -51.5468 16.5979 1.44709 TIMING: 1189000 CPU: 3746.12, 0.00315945/step Wall: 3746.12, 0.00315945/step, 3.34463 hours remaining, 237.628906 MB of memory in use. ENERGY: 1189000 4002.7476 20494.1782 14395.4883 225.6772 -203141.7750 2318.4829 0.0000 0.0000 52358.2549 -109346.9458 300.9036 -161705.2008 -108968.4025 299.9328 -141.2023 -113.3359 760903.7948 7.6639 7.5989 PRESSURE: 1189200 344.677 23.5895 -31.2949 23.5897 17.813 5.90624 -31.2951 5.90511 582.623 GPRESSURE: 1189200 396.61 77.5653 -6.53926 76.8747 114.212 73.6179 -50.0036 66.9928 511.291 PRESSAVG: 1189200 -49.4517 5.29365 5.14629 5.29364 38.8937 -45.4082 5.14638 -45.4082 21.3541 GPRESSAVG: 1189200 -50.0036 5.13908 6.94573 7.10211 38.775 -45.8847 3.57391 -44.0133 21.7826 TIMING: 1189200 CPU: 3746.75, 0.0031643/step Wall: 3746.75, 0.0031643/step, 3.34959 hours remaining, 237.628906 MB of memory in use. ENERGY: 1189200 4045.2576 20618.5781 14422.0288 260.5760 -203849.4939 2787.0334 0.0000 0.0000 52370.8286 -109345.1913 300.9759 -161716.0199 -108981.2837 299.6345 315.0374 340.7043 759021.6609 3.5987 3.5180 PRESSURE: 1189400 118.929 -30.116 132.868 -30.1158 -6.96042 -268.41 132.868 -268.409 1.9125 GPRESSURE: 1189400 215.975 52.7836 152.885 -66.2024 -30.338 -204.451 119.969 -301.68 1.79846 PRESSAVG: 1189400 31.4403 -8.51466 18.5409 -8.51468 -71.4899 -80.2572 18.541 -80.2572 -7.27098 GPRESSAVG: 1189400 31.7608 -7.90693 18.4737 -8.64417 -72.4037 -81.1822 19.3921 -81.7832 -6.2785 TIMING: 1189400 CPU: 3747.38, 0.00316021/step Wall: 3747.38, 0.00316021/step, 3.34508 hours remaining, 237.628906 MB of memory in use. ENERGY: 1189400 4004.3577 20752.1962 14431.5667 240.8336 -203558.2866 2482.8551 0.0000 0.0000 52029.2649 -109617.2123 299.0129 -161646.4772 -109251.7875 300.0909 37.9605 62.4784 760478.1773 -15.7735 -15.6405 PRESSURE: 1189600 -337.214 -176.819 64.2856 -176.818 -51.9209 -71.1391 64.2868 -71.1395 575.331 GPRESSURE: 1189600 -269.305 -172.567 112.843 -83.0964 -42.7023 -112.675 75.9961 -22.9667 556.387 PRESSAVG: 1189600 28.9925 -34.3525 6.5205 -34.3525 -49.7185 -46.1207 6.52053 -46.1206 -3.84298 GPRESSAVG: 1189600 29.4138 -34.5075 7.226 -35.3629 -48.768 -45.787 7.32399 -45.7094 -4.86595 TIMING: 1189600 CPU: 3748.02, 0.00317778/step Wall: 3748.02, 0.00317778/step, 3.3635 hours remaining, 237.628906 MB of memory in use. ENERGY: 1189600 4010.5397 20692.6837 14388.8292 263.1285 -203336.3559 2363.2447 0.0000 0.0000 51597.1975 -110020.7327 296.5298 -161617.9302 -109667.6998 299.1707 62.0655 81.4601 761443.5552 -8.1897 -8.0734 PRESSURE: 1189800 357.576 175.144 263.125 175.144 -156.615 -103.015 263.125 -103.015 -381.717 GPRESSURE: 1189800 217.395 201.637 214.233 83.6269 -67.5234 -77.3348 195.68 -173.65 -241.982 PRESSAVG: 1189800 40.0667 -40.8925 -20.3228 -40.8926 -41.9628 18.0963 -20.3228 18.0963 -11.0353 GPRESSAVG: 1189800 39.5942 -40.3613 -21.5193 -41.9496 -41.5722 18.2651 -20.6251 17.4214 -10.9617 TIMING: 1189800 CPU: 3748.65, 0.00317817/step Wall: 3748.65, 0.00317817/step, 3.36374 hours remaining, 237.628906 MB of memory in use. ENERGY: 1189800 4010.4527 20512.7081 14545.7047 260.1835 -203874.3934 2771.1473 0.0000 0.0000 52071.0655 -109703.1316 299.2531 -161774.1971 -109339.5495 298.6494 -60.2520 -30.7033 761317.0674 -4.3105 -4.3132 PRESSURE: 1190000 251.928 -46.8432 -210.322 -46.8433 -53.0955 -13.6203 -210.321 -13.6194 -258.24 GPRESSURE: 1190000 242.482 -154.159 -191.577 -98.0048 9.31776 -23.4249 -114.448 -15.369 -197.7 PRESSAVG: 1190000 -10.0788 15.7981 24.9946 15.7981 -25.4556 -17.626 24.9945 -17.6259 -37.301 GPRESSAVG: 1190000 -10.0982 15.5187 26.5717 15.5253 -26.318 -17.2704 21.079 -16.719 -36.426 TIMING: 1190000 CPU: 3749.29, 0.00317913/step Wall: 3749.29, 0.00317913/step, 3.36458 hours remaining, 237.628906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1190000 4068.5608 20630.0460 14373.6912 233.1525 -203377.8781 2349.0432 0.0000 0.0000 52017.3928 -109705.9916 298.9447 -161723.3844 -109342.1898 299.1290 -19.8025 18.0332 763241.9282 -24.2785 -24.2807 PRESSURE: 1190200 -38.2734 260.054 100.736 260.053 -376.113 -212.48 100.736 -212.481 3.23047 GPRESSURE: 1190200 74.6961 -43.08 134.511 264.999 -353.411 -237.917 184.536 -174.383 -15.0631 PRESSAVG: 1190200 27.0818 109.398 -23.7935 109.398 28.4613 -40.9336 -23.7934 -40.9336 25.7495 GPRESSAVG: 1190200 27.0089 109.297 -25.965 110.353 28.164 -42.0232 -20.4112 -43.5544 26.2628 TIMING: 1190200 CPU: 3749.92, 0.00317013/step Wall: 3749.92, 0.00317013/step, 3.35488 hours remaining, 237.628906 MB of memory in use. ENERGY: 1190200 4006.5408 20526.8488 14447.0964 249.6105 -203174.8356 2354.2997 0.0000 0.0000 52121.8847 -109468.5547 299.5452 -161590.4394 -109098.9521 299.7543 -137.0519 -97.9260 760278.1769 27.0975 27.1452 PRESSURE: 1190400 -26.5028 29.2162 -184.186 29.2161 -42.6108 -159.287 -184.186 -159.287 -161.366 GPRESSURE: 1190400 29.5721 45.9579 -214.632 61.2792 -35.1638 -117.703 -66.7009 -129.324 -140.797 PRESSAVG: 1190400 3.42441 70.7573 -3.09575 70.7574 -15.573 -80.9408 -3.09579 -80.9407 -29.3456 GPRESSAVG: 1190400 2.99472 70.9768 -0.682385 71.2741 -14.6296 -81.7329 -2.4779 -76.83 -30.5471 TIMING: 1190400 CPU: 3750.55, 0.00315636/step Wall: 3750.55, 0.00315636/step, 3.34013 hours remaining, 237.628906 MB of memory in use. ENERGY: 1190400 3953.2847 20723.4871 14438.1247 246.9354 -203793.5915 2579.0124 0.0000 0.0000 52402.4635 -109450.2838 301.1577 -161852.7473 -109084.9204 300.3013 -76.8265 -48.7963 761093.9414 -13.8314 -14.0607 PRESSURE: 1190600 -27.1989 211.808 -73.25 211.807 -158.582 -53.2902 -73.25 -53.2909 298.005 GPRESSURE: 1190600 15.6072 194.168 -150.787 181.814 -122.449 -45.8987 -24.2127 -14.1141 291.468 PRESSAVG: 1190600 27.5736 56.4258 29.0305 56.4258 -21.0376 -88.0619 29.0305 -88.062 -5.81984 GPRESSAVG: 1190600 27.7086 56.3274 27.9961 55.2728 -21.9085 -87.012 27.9045 -89.0047 -5.98679 TIMING: 1190600 CPU: 3751.19, 0.00316285/step Wall: 3751.19, 0.00316285/step, 3.34683 hours remaining, 237.628906 MB of memory in use. ENERGY: 1190600 3958.0543 20569.2466 14484.3100 249.7906 -203205.1933 2318.1446 0.0000 0.0000 52026.5728 -109599.0744 298.9974 -161625.6472 -109235.5630 299.8335 37.4079 61.5419 761859.7697 0.2387 -0.0622 PRESSURE: 1190800 176.44 71.4064 -26.8151 71.4067 160.692 19.7944 -26.8158 19.794 -104.931 GPRESSURE: 1190800 179.668 -73.4727 14.1067 42.9466 159.511 35.9698 -52.9478 64.6693 -28.932 PRESSAVG: 1190800 23.9106 93.9602 -39.0527 93.9601 -39.7708 -1.1331 -39.0527 -1.13307 24.0492 GPRESSAVG: 1190800 23.348 94.389 -37.7054 95.256 -39.3555 -1.68306 -39.6774 -1.20341 24.1394 TIMING: 1190800 CPU: 3751.82, 0.0031696/step Wall: 3751.82, 0.00316959/step, 3.35378 hours remaining, 237.628906 MB of memory in use. ENERGY: 1190800 4011.4273 20510.7677 14448.8947 260.1386 -203804.6408 2751.6087 0.0000 0.0000 52302.9007 -109518.9031 300.5855 -161821.8038 -109158.3572 299.3691 77.4001 103.4154 762089.2526 2.7296 2.7106 PRESSURE: 1191000 50.0239 251.886 63.5984 251.886 119.336 23.9475 63.5981 23.9477 388.077 GPRESSURE: 1191000 105.12 136.779 17.9681 290.045 77.0869 -3.4274 108.916 72.4632 467.536 PRESSAVG: 1191000 33.4296 35.2367 13.1781 35.2367 -41.7456 28.0476 13.1781 28.0475 9.85436 GPRESSAVG: 1191000 32.7079 34.0539 12.1334 35.3042 -41.5969 28.9781 12.9973 26.1724 10.8013 TIMING: 1191000 CPU: 3752.46, 0.00317044/step Wall: 3752.46, 0.00317044/step, 3.35451 hours remaining, 237.628906 MB of memory in use. ENERGY: 1191000 3978.7611 20457.5360 14440.7352 260.4648 -203460.4046 2613.8193 0.0000 0.0000 52136.3933 -109572.6949 299.6286 -161709.0882 -109213.7370 299.8762 185.8123 216.5808 761706.5397 0.5128 0.6374 PRESSURE: 1191200 -115.523 -74.9618 -51.9609 -74.9622 44.4054 -45.6317 -51.9617 -45.6298 -12.5627 GPRESSURE: 1191200 -79.791 -64.6568 -215.661 -84.5223 50.4411 -13.6414 63.1549 -186.222 35.4323 PRESSAVG: 1191200 44.9333 31.7849 22.174 31.7849 -35.7187 53.8615 22.174 53.8615 -33.1862 GPRESSAVG: 1191200 45.8508 33.1612 21.5437 30.3279 -34.7521 53.2091 23.3723 54.4101 -35.1196 TIMING: 1191200 CPU: 3753.08, 0.00314014/step Wall: 3753.08, 0.00314014/step, 3.32226 hours remaining, 237.628906 MB of memory in use. ENERGY: 1191200 3970.7512 20747.2733 14306.9345 246.0437 -203589.9196 2776.0673 0.0000 0.0000 52020.3463 -109522.5032 298.9616 -161542.8496 -109171.3064 299.4588 -27.8934 2.0275 762816.6561 -7.9905 -8.0069 PRESSURE: 1191400 292.814 -49.6215 196.105 -49.6208 -273.168 -51.2944 196.106 -51.294 -71.463 GPRESSURE: 1191400 335.566 7.84014 149.549 -65.779 -145.033 -18.1753 208.128 55.8813 -158.341 PRESSAVG: 1191400 42.8094 -7.24937 43.6819 -7.24941 -46.9572 18.6549 43.6819 18.6549 -2.07392 GPRESSAVG: 1191400 43.1988 -6.06131 43.8202 -4.80549 -47.9051 19.9579 42.8972 17.5461 -1.06823 TIMING: 1191400 CPU: 3753.72, 0.00317581/step Wall: 3753.72, 0.00317581/step, 3.35983 hours remaining, 237.628906 MB of memory in use. ENERGY: 1191400 3993.4731 20678.3133 14418.4490 249.9709 -203462.7928 2586.0165 0.0000 0.0000 51983.9012 -109552.6687 298.7522 -161536.5700 -109186.3234 299.4659 -17.2725 10.7309 762241.0389 -2.0739 -1.9248 PRESSURE: 1191600 -18.2812 81.5337 26.4787 81.5335 -100.419 209.691 26.4786 209.69 -71.1789 GPRESSURE: 1191600 47.377 63.8669 92.8429 142.649 -49.0315 169.711 -92.514 111.104 -93.745 PRESSAVG: 1191600 45.4688 11.8041 -19.339 11.8042 -35.7345 -17.1195 -19.339 -17.1194 -3.08618 GPRESSAVG: 1191600 45.4162 11.6553 -19.781 9.24525 -37.0386 -17.6069 -16.8101 -13.173 -1.51816 TIMING: 1191600 CPU: 3754.35, 0.00315764/step Wall: 3754.35, 0.00315764/step, 3.34043 hours remaining, 237.628906 MB of memory in use. ENERGY: 1191600 3975.5105 20597.2370 14430.4959 243.2094 -203249.0843 2334.4580 0.0000 0.0000 51882.2839 -109785.8895 298.1682 -161668.1734 -109424.1398 299.5065 -63.2931 -31.7998 762684.2372 2.2161 2.2865 PRESSURE: 1191800 -321.416 377.951 172.29 377.951 208.404 121.438 172.29 121.439 209.518 GPRESSURE: 1191800 -245.596 230.554 190.566 442.907 177.124 163.336 144.101 -10.9701 222.821 PRESSAVG: 1191800 -76.2431 19.3276 56.3911 19.3276 76.0362 10.849 56.3911 10.849 -0.132351 GPRESSAVG: 1191800 -77.059 16.706 57.1486 20.3104 76.5199 11.255 54.3514 7.11867 -0.749014 TIMING: 1191800 CPU: 3754.98, 0.00316343/step Wall: 3754.98, 0.00316343/step, 3.34638 hours remaining, 237.628906 MB of memory in use. ENERGY: 1191800 3971.6780 20771.8447 14406.6186 256.2199 -203640.2418 2335.7480 0.0000 0.0000 51982.9600 -109915.1726 298.7468 -161898.1326 -109561.3800 299.1903 32.1689 51.4495 761322.3098 -0.1131 -0.4294 PRESSURE: 1192000 309.072 8.73101 -91.4374 8.73119 87.0047 50.5109 -91.4377 50.5103 92.8535 GPRESSURE: 1192000 340.682 1.60079 -119.45 -99.4889 202.113 162.418 23.838 -9.02796 48.5319 PRESSAVG: 1192000 1.74618 -5.66402 29.0355 -5.66401 -31.3859 13.8405 29.0354 13.8405 -5.04891 GPRESSAVG: 1192000 3.24999 -4.32287 29.9233 -7.10418 -30.9112 13.9762 28.0949 16.51 -6.59376 TIMING: 1192000 CPU: 3755.61, 0.00314793/step Wall: 3755.61, 0.00314793/step, 3.32981 hours remaining, 237.628906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1192000 3977.1201 20450.7573 14446.8894 262.6087 -203912.4250 2743.4643 0.0000 0.0000 52214.2614 -109817.3238 300.0761 -162031.5852 -109458.2660 299.0167 162.9767 197.1091 760723.6569 -11.5629 -11.4183 PRESSURE: 1192200 -74.0255 68.5885 -53.9099 68.5882 -237.626 94.6439 -53.9096 94.6433 -63.9666 GPRESSURE: 1192200 -78.5298 28.2639 -72.7737 67.5999 -138.824 170.866 -54.8348 93.0289 -69.8753 PRESSAVG: 1192200 73.4344 10.3609 -13.3052 10.3608 -22.4002 16.2145 -13.3052 16.2146 -15.4621 GPRESSAVG: 1192200 71.9418 10.0053 -13.9813 11.2527 -22.4692 15.8862 -11.8723 15.0107 -14.3734 TIMING: 1192200 CPU: 3756.24, 0.00315705/step Wall: 3756.24, 0.00315705/step, 3.33928 hours remaining, 237.628906 MB of memory in use. ENERGY: 1192200 3963.5058 20798.3039 14422.9791 251.8301 -203274.6061 2303.3071 0.0000 0.0000 51851.3763 -109683.3038 297.9906 -161534.6801 -109321.4314 298.9546 -125.2059 -95.7431 761879.9749 11.8574 11.6998 LDB: ============= START OF LOAD BALANCING ============== 3768.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3768.64 LDB: =============== DONE WITH MIGRATION ================ 3768.64 LDB: ============= START OF LOAD BALANCING ============== 3768.96 LDB: Largest compute 7026 load 0.033727 is 17.2% of average load 0.195857 LDB: Average compute 0.004372 is 2.2% of average load 0.195857 LDB: TIME 3768.96 LOAD: AVG 0.195857 MAX 0.216619 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.871 MB LDB: TIME 3768.96 LOAD: AVG 0.195857 MAX 0.216619 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 3768.96 LOAD: AVG 0.195857 MAX 0.216619 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 3768.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3768.97 PRESSURE: 1192400 -208.497 -48.4203 -6.88949 -48.4197 60.7908 270.912 -6.88844 270.912 -238.638 GPRESSURE: 1192400 -166.783 24.1159 -17.1473 -33.441 108.672 270.628 6.11255 375.649 -244.631 PRESSAVG: 1192400 -31.1466 -35.8387 68.911 -35.8387 -15.6495 17.6035 68.911 17.6034 -1.13798 GPRESSAVG: 1192400 -31.3441 -34.7137 69.4694 -33.6642 -14.5215 15.5127 69.3285 20.3022 -1.76672 TIMING: 1192400 CPU: 3756.89, 0.0032233/step Wall: 3756.89, 0.0032233/step, 3.40918 hours remaining, 238.398438 MB of memory in use. ENERGY: 1192400 3990.5279 20630.8976 14315.4185 247.2342 -203388.0108 2336.7528 0.0000 0.0000 52384.0678 -109483.1119 301.0520 -161867.1798 -109122.7672 299.4244 -128.7814 -100.9141 760369.5816 -15.9780 -15.8774 PRESSURE: 1192600 370.356 -238.973 30.3903 -238.973 -18.5375 42.651 30.3909 42.6518 -262.865 GPRESSURE: 1192600 374.505 -276.643 4.1495 -130.005 4.45958 67.3222 -45.8207 -10.7649 -229.263 PRESSAVG: 1192600 65.9665 -19.2681 8.72051 -19.268 -82.8802 30.0253 8.72052 30.0253 1.10468 GPRESSAVG: 1192600 65.6324 -19.6068 8.66731 -19.3961 -84.4422 31.9351 7.42839 27.3015 2.06375 TIMING: 1192600 CPU: 3757.52, 0.00315752/step Wall: 3757.52, 0.00315752/step, 3.33942 hours remaining, 238.464844 MB of memory in use. ENERGY: 1192600 4044.4974 20535.4994 14469.6877 247.9686 -203572.2978 2515.7437 0.0000 0.0000 52096.1093 -109662.7917 299.3971 -161758.9010 -109311.5710 299.9060 29.6512 49.9003 760019.3609 -5.2697 -5.5820 PRESSURE: 1192800 140.222 -10.0422 192.336 -10.0425 -12.485 -286.028 192.336 -286.028 60.792 GPRESSURE: 1192800 201.534 -40.7767 185.341 40.403 -50.1565 -235.063 143.192 -276.833 120.768 PRESSAVG: 1192800 30.4962 -57.1314 20.5846 -57.1314 14.5384 12.3408 20.5846 12.3409 9.70282 GPRESSAVG: 1192800 30.0174 -56.8656 19.1098 -57.0744 15.9688 11.9469 22.672 13.9208 8.933 TIMING: 1192800 CPU: 3758.15, 0.00314888/step Wall: 3758.15, 0.00314888/step, 3.33012 hours remaining, 238.464844 MB of memory in use. ENERGY: 1192800 3952.1912 20524.5880 14460.1950 239.4470 -203667.6763 2548.6775 0.0000 0.0000 52102.6138 -109839.9638 299.4344 -161942.5776 -109475.6605 298.9655 62.8430 90.7151 760501.1062 18.2458 18.3064 PRESSURE: 1193000 -559.525 -327.811 -2.55695 -327.811 157.648 124.713 -2.55781 124.713 35.8357 GPRESSURE: 1193000 -466.275 -262.665 -2.31848 -277.4 96.0976 160.828 4.70348 180.655 52.521 PRESSAVG: 1193000 -0.325477 -111.231 53.7226 -111.231 -20.5892 15.993 53.7226 15.9931 25.1733 GPRESSAVG: 1193000 2.02159 -110.971 55.8904 -112.124 -22.3963 17.4595 51.8164 14.3379 24.7133 TIMING: 1193000 CPU: 3758.78, 0.00315419/step Wall: 3758.78, 0.00315418/step, 3.33555 hours remaining, 238.464844 MB of memory in use. ENERGY: 1193000 3942.8369 20521.6560 14367.1206 255.9081 -203333.1459 2374.7043 0.0000 0.0000 51919.3445 -109951.5755 298.3812 -161870.9199 -109589.9384 298.5438 -122.0137 -105.8855 761516.2513 1.4195 1.4462 PRESSURE: 1193200 240.377 -42.8696 16.1202 -42.8697 -244.78 -138.846 16.1203 -138.847 -232.958 GPRESSURE: 1193200 222.692 -160.798 -42.6331 51.3847 -163.475 -172.315 161.813 -69.3845 -216.443 PRESSAVG: 1193200 9.08214 -26.4549 -7.48147 -26.4548 -9.26967 31.4823 -7.48146 31.4823 -20.3021 GPRESSAVG: 1193200 9.16139 -28.1249 -7.95767 -25.903 -9.77246 30.4182 -8.70738 32.0719 -20.1167 TIMING: 1193200 CPU: 3759.41, 0.00315536/step Wall: 3759.41, 0.00315536/step, 3.33662 hours remaining, 238.464844 MB of memory in use. ENERGY: 1193200 3885.2887 20547.9204 14429.1021 266.6545 -203658.2664 2584.4119 0.0000 0.0000 52123.1651 -109821.7237 299.5525 -161944.8888 -109451.6974 298.9571 -79.1203 -52.4087 759542.2151 -6.8299 -6.9092 PRESSURE: 1193400 -283.305 -46.1497 141.624 -46.1499 -7.56959 225.713 141.624 225.713 236.664 GPRESSURE: 1193400 -164.987 -79.5515 62.4172 36.8727 54.6452 271.931 190.761 265.463 154.738 PRESSAVG: 1193400 32.0402 -0.889368 61.7202 -0.889348 -20.1466 59.6438 61.7202 59.6439 3.13028 GPRESSAVG: 1193400 29.4789 -1.58138 61.5708 -1.9555 -18.3875 59.967 64.5216 59.2259 3.57297 TIMING: 1193400 CPU: 3760.04, 0.0031535/step Wall: 3760.04, 0.0031535/step, 3.33447 hours remaining, 238.464844 MB of memory in use. ENERGY: 1193400 3968.5383 20345.3211 14376.1654 243.0228 -203104.3728 2399.8588 0.0000 0.0000 51996.6288 -109774.8377 298.8253 -161771.4665 -109395.8293 299.2837 -18.0701 14.7989 761576.4354 5.0080 4.8881 PRESSURE: 1193600 -34.4464 -23.8742 166.306 -23.8741 -243.249 190.27 166.306 190.271 -141.257 GPRESSURE: 1193600 -26.7639 11.3773 193.477 -97.333 -190.509 264.733 228.449 42.2169 -111.145 PRESSAVG: 1193600 38.5171 -54.5583 2.97972 -54.5583 -28.5109 91.6455 2.97967 91.6455 -12.6932 GPRESSAVG: 1193600 39.3905 -53.1385 2.29781 -55.2036 -29.0567 91.909 3.17727 93.0835 -12.7522 TIMING: 1193600 CPU: 3760.67, 0.00315054/step Wall: 3760.67, 0.00315054/step, 3.33117 hours remaining, 238.464844 MB of memory in use. ENERGY: 1193600 3981.8579 20390.9324 14360.7793 266.2131 -203371.0664 2732.6531 0.0000 0.0000 51916.7610 -109721.8695 298.3663 -161638.6305 -109369.5966 298.8231 -139.6507 -109.4726 760487.6071 -0.8956 -0.8061 PRESSURE: 1193800 -81.8708 11.2587 256.288 11.2592 -386.995 159.031 256.288 159.03 -93.1867 GPRESSURE: 1193800 -30.0461 71.2805 229.1 -50.5381 -283.614 83.9551 214.886 124.759 -168.518 PRESSAVG: 1193800 -2.81789 -52.9165 42.4658 -52.9165 -12.0551 71.9574 42.4658 71.9574 -6.22651 GPRESSAVG: 1193800 -3.62186 -53.7628 43.2957 -52.3907 -11.2262 70.663 41.8604 69.1915 -6.20731 TIMING: 1193800 CPU: 3761.3, 0.00315289/step Wall: 3761.3, 0.00315289/step, 3.33348 hours remaining, 238.464844 MB of memory in use. ENERGY: 1193800 3969.2879 20410.1606 14433.6135 259.0340 -202869.5842 2133.1763 0.0000 0.0000 51796.5306 -109867.7812 297.6754 -161664.3118 -109507.2422 298.9975 -187.3510 -160.7259 761996.0187 -7.0332 -7.0185 PRESSURE: 1194000 147.916 271.701 -6.33301 271.7 -267.804 -212.361 -6.33342 -212.362 314.059 GPRESSURE: 1194000 198.73 279.639 31.3871 194.051 -220.62 -174.081 -34.3977 -137.548 303.036 PRESSAVG: 1194000 57.8671 -51.8842 3.78647 -51.8841 -25.6396 -0.632217 3.78647 -0.632238 -19.8579 GPRESSAVG: 1194000 58.6019 -52.915 3.86488 -51.2678 -26.268 0.847497 4.70776 2.36044 -19.6914 TIMING: 1194000 CPU: 3761.94, 0.00318394/step Wall: 3761.94, 0.00318394/step, 3.36613 hours remaining, 238.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1194000 3930.2303 20434.9770 14316.0641 230.2395 -203610.6278 2775.5216 0.0000 0.0000 51957.3997 -109966.1955 298.5999 -161923.5953 -109595.1941 298.8171 64.7234 93.7153 762563.0165 4.1232 4.2142 PRESSURE: 1194200 -357.969 22.2613 66.1674 22.2614 241.437 303.77 66.1677 303.77 -131.633 GPRESSURE: 1194200 -371.645 29.3793 22.0393 -27.6071 250.752 345.78 -92.9698 162.974 -60.3353 PRESSAVG: 1194200 5.19702 -26.951 52.1602 -26.951 7.72187 -7.98376 52.1601 -7.98385 -12.2588 GPRESSAVG: 1194200 4.35255 -25.979 52.0331 -24.7161 7.47868 -9.43126 48.4081 -8.44034 -11.5869 TIMING: 1194200 CPU: 3762.57, 0.003163/step Wall: 3762.57, 0.003163/step, 3.34382 hours remaining, 238.464844 MB of memory in use. ENERGY: 1194200 4043.2491 20341.5241 14412.5201 238.2317 -203398.0647 2678.1770 0.0000 0.0000 51727.7617 -109956.6010 297.2802 -161684.3627 -109603.1898 298.4139 -82.7217 -60.4094 763452.3577 0.2200 0.0815 PRESSURE: 1194400 105.58 -23.2075 -142.884 -23.2073 60.0227 17.772 -142.884 17.772 -55.0673 GPRESSURE: 1194400 116.478 -7.38479 -172.937 16.9548 83.9346 20.9143 2.27458 63.8664 -12.4155 PRESSAVG: 1194400 42.8102 2.28047 13.4449 2.28053 -43.6329 33.8945 13.445 33.8945 -17.0275 GPRESSAVG: 1194400 42.8442 4.08302 13.2231 -0.684757 -42.6799 35.615 15.394 32.6206 -17.9326 TIMING: 1194400 CPU: 3763.21, 0.00318454/step Wall: 3763.21, 0.00318454/step, 3.36641 hours remaining, 238.464844 MB of memory in use. ENERGY: 1194400 4017.8631 20425.1413 14326.0432 232.6150 -203537.5362 2833.2316 0.0000 0.0000 51836.8230 -109865.8190 297.9069 -161702.6420 -109499.0166 298.0747 36.8452 62.6655 761535.1014 -5.9501 -5.9228 PRESSURE: 1194600 -80.2982 -199.002 -6.71942 -199.001 -443.232 -307.082 -6.71932 -307.081 226.691 GPRESSURE: 1194600 -105.447 -252.619 -39.1309 -39.1047 -329.048 -243.697 -93.3095 -255.442 233.78 PRESSAVG: 1194600 -2.84101 42.1015 -18.6504 42.1015 38.4593 -35.7845 -18.6505 -35.7844 -2.73469 GPRESSAVG: 1194600 -3.41282 39.6598 -20.3768 43.7767 37.4256 -34.7213 -16.4993 -34.9468 -0.960037 TIMING: 1194600 CPU: 3763.85, 0.00318171/step Wall: 3763.85, 0.00318171/step, 3.36324 hours remaining, 238.667969 MB of memory in use. ENERGY: 1194600 3956.0059 20367.3457 14397.6587 231.8740 -203646.5583 2692.3051 0.0000 0.0000 52227.5435 -109773.8254 300.1524 -162001.3689 -109417.5005 298.5317 -98.9462 -66.9047 759119.7211 10.9612 11.0176 PRESSURE: 1194800 -279.746 -85.522 87.6899 -85.5218 -94.0527 -100.38 87.6894 -100.38 -516.745 GPRESSURE: 1194800 -319.604 -221.827 130.322 -156.295 -9.75097 -111.879 -58.1864 -63.3775 -457.787 PRESSAVG: 1194800 52.6203 -39.339 -27.6903 -39.339 -36.329 -72.8186 -27.6903 -72.8186 -11.2214 GPRESSAVG: 1194800 52.3666 -39.6706 -24.8061 -39.3101 -35.4033 -73.6057 -29.4992 -73.8244 -12.1001 TIMING: 1194800 CPU: 3764.48, 0.00317059/step Wall: 3764.48, 0.00317059/step, 3.35132 hours remaining, 238.667969 MB of memory in use. ENERGY: 1194800 3995.2649 20309.1756 14374.8556 241.5056 -203340.4177 2077.6140 0.0000 0.0000 52259.7086 -110082.2934 300.3373 -162342.0020 -109720.0465 298.3616 -296.8477 -262.3808 761073.1590 1.6900 1.6210 PRESSURE: 1195000 -68.0462 122.995 52.4672 122.996 -283.405 -95.309 52.467 -95.3098 -197.179 GPRESSURE: 1195000 -40.7454 134.872 69.626 -49.4774 -344.077 -34.0065 -58.3857 -9.60582 -84.0606 PRESSAVG: 1195000 3.9556 14.0186 7.77138 14.0187 39.0119 -26.8289 7.77131 -26.8289 16.2741 GPRESSAVG: 1195000 4.16688 13.7767 7.96326 12.3966 38.8629 -27.8549 8.61489 -27.4003 16.1596 TIMING: 1195000 CPU: 3765.11, 0.0031559/step Wall: 3765.11, 0.00315591/step, 3.33562 hours remaining, 238.667969 MB of memory in use. ENERGY: 1195000 3953.3349 20357.6769 14379.3383 254.6698 -203215.3546 2318.9411 0.0000 0.0000 51901.5662 -110049.8275 298.2790 -161951.3937 -109691.3881 298.4829 -182.8765 -156.2944 762842.2132 19.7472 19.7298 PRESSURE: 1195200 -188.931 -7.25148 61.9789 -7.2514 110.019 -210.136 61.9791 -210.137 56.6545 GPRESSURE: 1195200 -211.773 -119.536 30.3266 -7.59108 127.337 -234.148 145.146 -126.434 143.848 PRESSAVG: 1195200 38.2514 -29.6436 42.5664 -29.6436 -30.0079 -53.6227 42.5663 -53.6227 -7.66746 GPRESSAVG: 1195200 39.4483 -27.6933 40.9108 -29.0005 -29.9876 -54.846 42.0177 -51.2455 -8.88505 TIMING: 1195200 CPU: 3765.74, 0.00315797/step Wall: 3765.74, 0.00315797/step, 3.33762 hours remaining, 238.667969 MB of memory in use. ENERGY: 1195200 3909.9485 20328.0300 14362.6614 257.0747 -203663.7650 2792.6861 0.0000 0.0000 52071.6810 -109941.6832 299.2567 -162013.3642 -109588.8694 298.7332 -7.4190 19.8040 761874.3079 0.1920 0.1919 PRESSURE: 1195400 -82.082 27.5264 -141.472 27.5261 125.943 -107.021 -141.472 -107.019 -87.1409 GPRESSURE: 1195400 11.2358 -55.8009 -83.1763 -9.81725 46.2018 -4.57926 -148.2 -161.726 -20.3295 PRESSAVG: 1195400 37.568 -34.9042 9.42277 -34.9041 -15.5499 -38.6594 9.42284 -38.6594 -27.5424 GPRESSAVG: 1195400 36.5345 -35.4198 10.7423 -33.3792 -15.5503 -37.2554 9.77099 -40.3052 -26.9635 TIMING: 1195400 CPU: 3766.38, 0.00316284/step Wall: 3766.38, 0.00316284/step, 3.34259 hours remaining, 238.667969 MB of memory in use. ENERGY: 1195400 3949.7571 20582.1500 14448.6026 235.9748 -203265.9700 2477.6494 0.0000 0.0000 51979.6861 -109592.1499 298.7280 -161571.8361 -109242.5015 298.6821 -14.4266 12.3694 760877.1716 -1.8414 -1.9931 PRESSURE: 1195600 -450.071 -18.8507 -4.42902 -18.8508 -262.39 7.58455 -4.42916 7.58407 -14.0417 GPRESSURE: 1195600 -409.865 15.0511 -81.0438 26.1202 -171.721 -17.1278 -23.9556 55.2158 -57.7947 PRESSAVG: 1195600 -14.3044 1.54537 2.27392 1.54538 -14.9782 -86.2042 2.27397 -86.2043 2.2983 GPRESSAVG: 1195600 -14.1566 3.36306 0.790375 -0.651756 -13.9689 -85.791 3.91232 -87.0364 1.60175 TIMING: 1195600 CPU: 3767.01, 0.00315609/step Wall: 3767.01, 0.00315609/step, 3.33528 hours remaining, 238.667969 MB of memory in use. ENERGY: 1195600 3981.9274 20448.4221 14465.4971 245.7021 -203183.5775 2466.9446 0.0000 0.0000 52307.9421 -109267.1421 300.6145 -161575.0843 -108899.1016 299.5647 -242.1679 -213.1271 762463.4666 -8.9948 -8.8413 PRESSURE: 1195800 96.5438 -25.5689 169.436 -25.5688 -112.275 152.726 169.435 152.726 280.989 GPRESSURE: 1195800 59.4551 -31.2246 244.68 -106.613 -9.20471 156.306 166.402 202.052 293.218 PRESSAVG: 1195800 38.1689 13.5106 14.3469 13.5106 -51.3159 8.71207 14.3469 8.71207 9.39281 GPRESSAVG: 1195800 37.6962 12.6117 16.3839 15.0287 -51.2033 8.89096 12.8377 8.93656 9.45653 TIMING: 1195800 CPU: 3767.64, 0.00315624/step Wall: 3767.64, 0.00315624/step, 3.33526 hours remaining, 238.667969 MB of memory in use. ENERGY: 1195800 4022.0196 20496.1946 14402.8152 256.0371 -203598.1705 2663.7219 0.0000 0.0000 52437.5895 -109319.7926 301.3595 -161757.3821 -108959.2884 299.8044 88.4192 114.4896 761410.7018 -1.2514 -1.3502 PRESSURE: 1196000 -0.649999 131.921 -132.808 131.921 267.266 -65.164 -132.808 -65.1642 -70.9014 GPRESSURE: 1196000 9.1059 133.994 -140.104 61.8459 348.56 -53.9812 -13.8578 -109.604 -84.0164 PRESSAVG: 1196000 34.0834 56.9947 39.2524 56.9947 1.75947 2.54417 39.2523 2.54419 -30.0326 GPRESSAVG: 1196000 33.8554 55.7148 37.9001 57.4417 1.6384 3.12807 38.4526 3.01222 -29.4219 TIMING: 1196000 CPU: 3768.27, 0.00315001/step Wall: 3768.27, 0.00315001/step, 3.32851 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1196000 4017.5840 20576.8248 14334.1646 243.0818 -202890.4839 2459.2473 0.0000 0.0000 52013.0620 -109246.5193 298.9198 -161259.5813 -108881.8300 299.7880 65.2383 91.2164 763135.6063 1.9367 2.0240 PRESSURE: 1196200 -253.186 -10.1397 -63.526 -10.1409 -189.364 23.1619 -63.5255 23.1619 -245.598 GPRESSURE: 1196200 -251.891 -13.9925 -174.243 72.3453 -154.476 101.725 104.59 13.2688 -200.529 PRESSAVG: 1196200 -22.139 -21.9096 41.4248 -21.9097 24.776 -44.8687 41.4248 -44.8687 22.7946 GPRESSAVG: 1196200 -20.2937 -21.4864 42.2452 -22.5458 22.8401 -45.2373 40.8573 -44.7123 23.5409 TIMING: 1196200 CPU: 3768.9, 0.00314937/step Wall: 3768.9, 0.00314937/step, 3.32766 hours remaining, 238.667969 MB of memory in use. ENERGY: 1196200 4013.0490 20458.4762 14471.1069 254.3384 -202968.5530 2198.9659 0.0000 0.0000 52227.4255 -109345.1912 300.1517 -161572.6167 -108983.0972 299.7423 -229.3825 -202.2986 760371.3710 8.4772 8.6958 LDB: ============= START OF LOAD BALANCING ============== 3781.3 LDB: ============== END OF LOAD BALANCING =============== 3781.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3781.3 LDB: ============= START OF LOAD BALANCING ============== 3781.61 LDB: Largest compute 7026 load 0.034229 is 17.5% of average load 0.195876 LDB: Average compute 0.004346 is 2.2% of average load 0.195876 LDB: TIME 3781.62 LOAD: AVG 0.195876 MAX 0.214448 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.887 MB LDB: TIME 3781.62 LOAD: AVG 0.195876 MAX 0.214448 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.051 MB LDB: TIME 3781.62 LOAD: AVG 0.195876 MAX 0.214448 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.051 MB LDB: ============== END OF LOAD BALANCING =============== 3781.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3781.62 PRESSURE: 1196400 17.3167 -193.817 201.048 -193.816 -29.5509 -29.1666 201.048 -29.1671 552.149 GPRESSURE: 1196400 47.8169 -174.806 234.28 -136.676 98.361 68.5632 84.3952 40.5959 504.356 PRESSAVG: 1196400 -42.7308 1.03242 25.6314 1.03245 27.8807 -23.8602 25.6314 -23.8602 -10.8289 GPRESSAVG: 1196400 -43.3607 1.08846 25.5515 1.9592 29.6956 -25.0105 25.9817 -23.9396 -11.9049 TIMING: 1196400 CPU: 3769.54, 0.00321701/step Wall: 3769.54, 0.00321702/step, 3.39896 hours remaining, 237.886719 MB of memory in use. ENERGY: 1196400 4033.7822 20417.4171 14466.3112 248.2328 -203421.2037 2643.7190 0.0000 0.0000 52214.4858 -109397.2557 300.0774 -161611.7415 -109036.1974 299.9246 179.9714 216.8446 758808.5929 -8.5597 -8.5233 PRESSURE: 1196600 273.423 -16.3756 -257.524 -16.3758 183.18 4.88672 -257.525 4.88537 408.904 GPRESSURE: 1196600 265.083 33.537 -238.166 -87.6126 234.849 79.4816 -363.589 35.9102 440.672 PRESSAVG: 1196600 -40.6848 -39.0178 -19.9241 -39.0178 25.7904 14.1065 -19.9241 14.1066 2.15945 GPRESSAVG: 1196600 -40.4851 -38.3816 -21.6517 -39.6116 25.2005 12.9437 -17.8748 15.4993 2.6339 TIMING: 1196600 CPU: 3770.18, 0.00317149/step Wall: 3770.18, 0.00317149/step, 3.35068 hours remaining, 237.941406 MB of memory in use. ENERGY: 1196600 3948.2210 20425.1362 14432.2229 235.1818 -203210.9229 2472.2775 0.0000 0.0000 52051.3234 -109646.5602 299.1397 -161697.8836 -109278.2123 299.5891 288.5025 313.5346 759328.4432 -4.2450 -4.2169 PRESSURE: 1196800 -73.6254 -168.243 191.019 -168.243 -475.483 -89.2829 191.02 -89.284 -96.6799 GPRESSURE: 1196800 -68.571 -178.199 85.7462 -63.8972 -317.007 -58.9417 279.825 40.615 -186.315 PRESSAVG: 1196800 16.2555 11.4751 -4.93572 11.4752 -4.44317 -0.744798 -4.93573 -0.744785 -8.34904 GPRESSAVG: 1196800 15.43 11.4846 -4.41137 9.18109 -4.42636 1.10784 -7.01497 0.240927 -8.37082 TIMING: 1196800 CPU: 3770.81, 0.00318159/step Wall: 3770.81, 0.00318159/step, 3.36117 hours remaining, 237.941406 MB of memory in use. ENERGY: 1196800 3982.3594 20506.2897 14421.4631 262.8647 -203291.2371 2285.1431 0.0000 0.0000 52041.7997 -109791.3174 299.0849 -161833.1171 -109436.3377 298.8825 -215.2629 -190.6308 759798.7432 1.1544 0.8776 PRESSURE: 1197000 270.247 8.53561 61.787 8.5359 -34.2446 154.225 61.786 154.224 417.153 GPRESSURE: 1197000 322.51 -18.1167 16.2602 -33.1886 51.382 172.559 10.375 72.4121 345.024 PRESSAVG: 1197000 6.22256 -6.80573 -12.687 -6.80577 -51.2385 10.2024 -12.687 10.2023 21.3442 GPRESSAVG: 1197000 6.4363 -4.63957 -11.4019 -5.85859 -50.8387 9.13214 -11.6256 10.3226 20.9767 TIMING: 1197000 CPU: 3771.45, 0.00317721/step Wall: 3771.45, 0.00317721/step, 3.35637 hours remaining, 237.941406 MB of memory in use. ENERGY: 1197000 4004.0263 20517.2686 14370.6357 241.0520 -203269.5025 2537.7885 0.0000 0.0000 51829.3634 -109769.3680 297.8641 -161598.7314 -109403.7946 298.8484 217.7186 239.6387 759379.1530 -7.8906 -7.8086 PRESSURE: 1197200 9.87916 126.964 -90.7684 126.964 -319.035 -10.638 -90.7689 -10.6378 -10.1559 GPRESSURE: 1197200 -13.409 146.812 -105.045 21.3281 -370.54 29.6587 87.6609 -88.6944 123.075 PRESSAVG: 1197200 -1.83678 -62.5011 -49.5294 -62.5011 31.5959 -7.68436 -49.5294 -7.68426 -3.17089 GPRESSAVG: 1197200 -2.12084 -64.3834 -50.3009 -60.3852 31.0984 -7.02309 -50.3484 -12.6613 -2.61883 TIMING: 1197200 CPU: 3772.08, 0.00318768/step Wall: 3772.08, 0.00318768/step, 3.36725 hours remaining, 237.941406 MB of memory in use. ENERGY: 1197200 3952.8297 20430.9525 14458.8788 248.3714 -202717.2217 2099.4905 0.0000 0.0000 51930.1807 -109596.5181 298.4435 -161526.6988 -109229.9822 299.0267 -106.4373 -86.9582 759244.0865 8.8628 8.7863 PRESSURE: 1197400 -60.9666 16.2671 86.5286 16.2679 56.9296 12.2637 86.5284 12.2633 118.945 GPRESSURE: 1197400 31.7496 25.7955 90.0965 63.1091 31.817 35.1787 30.3147 -5.62659 150.706 PRESSAVG: 1197400 45.276 -64.8091 -20.7322 -64.8091 21.9756 -67.1616 -20.7323 -67.1616 32.1952 GPRESSAVG: 1197400 44.6161 -64.2752 -20.6561 -67.6995 21.7042 -67.7467 -20.1005 -63.4892 33.2181 TIMING: 1197400 CPU: 3772.72, 0.00315688/step Wall: 3772.72, 0.00315688/step, 3.33454 hours remaining, 237.941406 MB of memory in use. ENERGY: 1197400 4041.4046 20472.0476 14470.9846 245.2270 -203457.6902 2651.9593 0.0000 0.0000 51928.4892 -109647.5779 298.4337 -161576.0670 -109284.1836 299.0128 38.3028 71.4243 757641.0608 33.1489 33.1794 PRESSURE: 1197600 93.2688 -79.8226 47.1655 -79.8229 7.56744 19.8617 47.166 19.863 -110.128 GPRESSURE: 1197600 154.749 -38.0643 42.445 -194.133 32.5192 155.265 48.3383 -15.1596 -108.01 PRESSAVG: 1197600 13.2479 -14.7377 2.74915 -14.7376 -42.9083 -26.3214 2.74905 -26.3215 5.51417 GPRESSAVG: 1197600 14.4054 -14.5413 2.04886 -14.616 -42.2676 -25.6844 2.21116 -26.0886 4.17429 TIMING: 1197600 CPU: 3773.35, 0.00316285/step Wall: 3773.35, 0.00316285/step, 3.34068 hours remaining, 238.011719 MB of memory in use. ENERGY: 1197600 3998.7119 20576.9931 14447.0909 228.2297 -203411.3020 2454.1118 0.0000 0.0000 52173.8989 -109532.2657 299.8441 -161706.1646 -109169.0072 298.9961 -3.0972 26.4194 759791.1245 -8.0487 -7.8960 PRESSURE: 1197800 143.476 44.6316 -125.655 44.6325 -374.215 -176.145 -125.655 -176.144 514.092 GPRESSURE: 1197800 185.947 105.079 -76.9781 26.7693 -166.299 -209.681 12.1198 -127.249 344.582 PRESSAVG: 1197800 22.5634 5.51238 29.0394 5.51232 21.271 -20.9116 29.0394 -20.9116 -4.94308 GPRESSAVG: 1197800 22.1352 6.35318 28.3813 5.9262 21.2675 -19.3423 32.3633 -24.1743 -4.76085 TIMING: 1197800 CPU: 3773.98, 0.00315032/step Wall: 3773.98, 0.00315031/step, 3.32725 hours remaining, 238.011719 MB of memory in use. ENERGY: 1197800 3922.1688 20718.2583 14454.8044 234.9079 -203616.7576 2619.9138 0.0000 0.0000 51973.3546 -109693.3499 298.6916 -161666.7045 -109335.0005 299.4377 94.4510 121.4101 760379.4770 12.9638 12.8806 PRESSURE: 1198000 208.302 98.1784 -320.972 98.1778 -86.4857 -99.8531 -320.972 -99.8533 -79.2391 GPRESSURE: 1198000 216.535 122.03 -370.68 136.646 -79.2122 11.4402 -321.024 -14.6902 -20.2983 PRESSAVG: 1198000 33.9479 25.5873 -9.47602 25.5873 -10.8706 -11.9326 -9.47597 -11.9325 19.6107 GPRESSAVG: 1198000 33.2559 24.3799 -8.40875 25.6352 -9.91078 -14.2618 -11.3064 -9.3833 18.9794 TIMING: 1198000 CPU: 3774.61, 0.00316459/step Wall: 3774.61, 0.00316459/step, 3.34216 hours remaining, 238.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1198000 4026.3928 20434.9233 14495.7812 243.8748 -203817.6810 2928.1487 0.0000 0.0000 52046.0549 -109642.5052 299.1094 -161688.5601 -109273.6088 299.0618 14.1924 39.0081 760707.2378 14.2293 14.1082 PRESSURE: 1198200 247.545 54.3079 -46.7935 54.3093 -57.4509 -173.075 -46.7935 -173.077 33.5479 GPRESSURE: 1198200 288.039 155.146 32.7096 153.892 -24.5421 -153.819 -66.0691 -65.2711 65.3171 PRESSAVG: 1198200 35.6395 36.3662 -25.5065 36.3662 -15.2402 -7.39114 -25.5065 -7.39115 22.3577 GPRESSAVG: 1198200 36.8022 36.8403 -26.3643 38.1967 -16.9176 -5.99016 -24.4747 -6.29102 23.1269 TIMING: 1198200 CPU: 3775.25, 0.00317702/step Wall: 3775.25, 0.00317702/step, 3.35511 hours remaining, 238.011719 MB of memory in use. ENERGY: 1198200 4027.2590 20503.3045 14419.8950 242.6014 -203898.1804 2793.4925 0.0000 0.0000 52154.0626 -109757.5653 299.7301 -161911.6279 -109391.1861 299.1958 74.5474 109.6046 760333.7790 14.2523 14.3372 PRESSURE: 1198400 -25.8843 139.215 -190.319 139.216 107.338 92.7507 -190.318 92.7505 50.1435 GPRESSURE: 1198400 43.0032 132.312 -112.989 235.715 138.476 44.4783 -45.6042 37.5364 13.1312 PRESSAVG: 1198400 38.138 38.4214 13.7824 38.4214 -10.31 -11.9787 13.7824 -11.9788 13.2736 GPRESSAVG: 1198400 38.7677 38.0837 12.7958 37.0118 -10.0655 -12.1268 14.6673 -12.5736 12.2019 TIMING: 1198400 CPU: 3775.88, 0.00316196/step Wall: 3775.88, 0.00316196/step, 3.33903 hours remaining, 238.011719 MB of memory in use. ENERGY: 1198400 4026.3991 20327.8658 14488.3611 252.2613 -203751.5257 2782.8716 0.0000 0.0000 51936.9487 -109936.8181 298.4824 -161873.7668 -109573.2554 298.7214 43.8658 64.8703 759939.7244 13.7005 13.6347 PRESSURE: 1198600 -289.702 -63.5429 -46.0968 -63.5435 -189.282 146.388 -46.0958 146.388 322.998 GPRESSURE: 1198600 -256.352 10.7216 -140.491 7.64239 -126.975 89.0817 6.83646 45.3214 309.506 PRESSAVG: 1198600 -33.0085 26.0786 46.6961 26.0787 23.2688 19.3102 46.6961 19.3102 28.1378 GPRESSAVG: 1198600 -35.3952 26.4426 46.8557 25.6311 25.0634 17.8298 45.8929 19.6909 28.8792 TIMING: 1198600 CPU: 3776.51, 0.00317222/step Wall: 3776.51, 0.00317221/step, 3.34968 hours remaining, 238.011719 MB of memory in use. ENERGY: 1198600 3967.4669 20457.6545 14428.9881 252.8903 -203139.7796 2145.1563 0.0000 0.0000 52138.4465 -109749.1771 299.6404 -161887.6236 -109371.4017 298.6843 -51.9953 -24.6070 760136.6752 6.1327 6.1825 PRESSURE: 1198800 105.878 63.2849 200.929 63.2842 -156.994 -39.6749 200.929 -39.674 -190.355 GPRESSURE: 1198800 193.206 152.497 231.842 40.3348 -209.204 -31.5113 147.085 -64.1433 -142.468 PRESSAVG: 1198800 -29.8276 27.083 55.5571 27.083 11.573 -1.57589 55.557 -1.57589 3.24311 GPRESSAVG: 1198800 -27.9488 27.358 57.5792 26.5167 9.03431 0.19105 54.9395 -5.2467 3.23523 TIMING: 1198800 CPU: 3777.15, 0.00317491/step Wall: 3777.15, 0.00317491/step, 3.35235 hours remaining, 238.011719 MB of memory in use. ENERGY: 1198800 3984.2686 20481.4139 14389.8407 270.6020 -203145.4768 2433.8476 0.0000 0.0000 51914.7395 -109670.7645 298.3547 -161585.5039 -109305.4747 298.3309 -80.4903 -52.8218 762609.9964 -5.0038 -5.2264 PRESSURE: 1199000 -371.02 174.814 -209.773 174.813 -76.4763 -0.17617 -209.772 -0.176105 -340.646 GPRESSURE: 1199000 -268.491 51.757 -261.921 138.159 -89.3577 -1.28588 -189.262 21.5399 -340.726 PRESSAVG: 1199000 9.07318 48.513 -15.3674 48.5129 -7.14481 -8.38086 -15.3675 -8.3808 13.2425 GPRESSAVG: 1199000 9.31715 47.854 -16.3196 49.2988 -6.16795 -9.32278 -16.123 -6.0828 12.3193 TIMING: 1199000 CPU: 3777.78, 0.00315765/step Wall: 3777.78, 0.00315765/step, 3.33395 hours remaining, 238.011719 MB of memory in use. ENERGY: 1199000 3984.2317 20523.6676 14386.5152 248.1277 -203052.9386 2186.7598 0.0000 0.0000 51904.9770 -109818.6596 298.2986 -161723.6367 -109455.1726 298.3633 -262.7142 -232.8582 761019.5040 5.0570 5.1562 PRESSURE: 1199200 5.63489 184.038 99.0863 184.039 151.358 -122.717 99.0868 -122.717 205.407 GPRESSURE: 1199200 131.735 49.1078 120.735 251.55 129.203 -23.1799 129.592 -21.7048 165.551 PRESSAVG: 1199200 6.10372 45.2413 -10.1536 45.2413 -32.2923 27.0193 -10.1535 27.0192 -4.53834 GPRESSAVG: 1199200 6.6075 44.6042 -9.34165 46.009 -33.157 26.9646 -12.0219 27.0517 -4.14726 TIMING: 1199200 CPU: 3778.41, 0.00315172/step Wall: 3778.41, 0.00315172/step, 3.32752 hours remaining, 238.011719 MB of memory in use. ENERGY: 1199200 3903.2284 20412.5172 14359.8621 252.7202 -203645.4814 2744.5116 0.0000 0.0000 51999.7857 -109972.8562 298.8435 -161972.6419 -109609.0609 298.3663 120.8000 142.1628 760904.5521 -10.2423 -10.2323 PRESSURE: 1199400 71.1312 222.5 -128.926 222.5 20.1658 -21.8948 -128.926 -21.8954 -76.3028 GPRESSURE: 1199400 72.313 201.075 -124.953 216.216 102.408 -28.9703 -62.4956 -43.541 -59.8308 PRESSAVG: 1199400 -31.6557 54.51 -20.4864 54.5099 68.0522 -51.5818 -20.4864 -51.5819 5.14616 GPRESSAVG: 1199400 -32.4129 56.4474 -21.9704 55.0037 68.6215 -50.5195 -17.6589 -51.5656 4.89219 TIMING: 1199400 CPU: 3779.04, 0.00315095/step Wall: 3779.04, 0.00315095/step, 3.32653 hours remaining, 238.011719 MB of memory in use. ENERGY: 1199400 3990.6086 20413.3084 14435.3111 275.5160 -203150.4175 2309.1011 0.0000 0.0000 51697.3618 -110029.2105 297.1054 -161726.5723 -109663.6197 297.9775 4.9980 38.2968 759088.4917 13.8476 13.7003 PRESSURE: 1199600 321.024 -44.3841 115.41 -44.3838 -28.902 -141.994 115.41 -141.995 67.4064 GPRESSURE: 1199600 412.281 10.7898 85.6161 -21.7946 -4.47728 -107.605 199.87 -133.705 56.6179 PRESSAVG: 1199600 -17.3143 3.83582 -27.6025 3.83582 36.0516 0.712105 -27.6026 0.712129 22.2226 GPRESSAVG: 1199600 -18.4095 3.44758 -27.9856 2.41409 36.6443 -0.426767 -26.642 -0.00122379 22.4596 TIMING: 1199600 CPU: 3779.67, 0.00315597/step Wall: 3779.67, 0.00315597/step, 3.33165 hours remaining, 238.011719 MB of memory in use. ENERGY: 1199600 3950.7581 20261.5531 14380.9931 241.5345 -203561.6529 2738.2294 0.0000 0.0000 52057.1474 -109931.4372 299.1731 -161988.5847 -109561.6385 298.4308 119.8429 154.8071 761290.8462 13.6533 13.5648 PRESSURE: 1199800 -260.045 175.434 36.6729 175.434 -8.56852 -1.47986 36.6729 -1.47872 313.602 GPRESSURE: 1199800 -183.897 129.395 -88.6623 133.173 53.0016 83.173 -115.534 -77.0096 272.215 PRESSAVG: 1199800 5.08812 -44.3423 -82.5472 -44.3422 51.3692 -58.4396 -82.5472 -58.4396 -5.28656 GPRESSAVG: 1199800 5.53706 -45.2358 -80.8997 -44.3434 51.85 -59.2054 -85.6524 -56.963 -5.93833 TIMING: 1199800 CPU: 3780.3, 0.00314689/step Wall: 3780.3, 0.00314689/step, 3.3219 hours remaining, 238.011719 MB of memory in use. ENERGY: 1199800 3971.0259 20509.0318 14471.0147 243.8986 -203348.7160 2494.8686 0.0000 0.0000 51720.2802 -109938.5963 297.2372 -161658.8765 -109575.8719 298.2284 14.9963 47.1066 760295.7054 17.0569 17.1496 PRESSURE: 1200000 150.675 50.6487 110.694 50.6487 332.095 48.6966 110.694 48.6982 -39.9369 GPRESSURE: 1200000 93.1829 6.50742 72.3071 30.423 425.274 -21.49 142.534 148.295 -9.33405 PRESSAVG: 1200000 -56.4307 -64.6425 30.761 -64.6425 23.3686 -34.8616 30.761 -34.8617 -11.9903 GPRESSAVG: 1200000 -56.6795 -63.5384 29.8328 -62.9534 23.5843 -33.7386 33.1029 -36.7905 -11.7888 TIMING: 1200000 CPU: 3780.93, 0.00316708/step Wall: 3780.93, 0.00316708/step, 3.34303 hours remaining, 238.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1200000 3943.0395 20499.9819 14442.9912 258.7819 -203616.9536 2720.7187 0.0000 0.0000 51805.9540 -109945.4864 297.7295 -161751.4404 -109592.4461 298.7487 147.6113 169.7077 760139.7659 -15.0175 -14.9613 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 39.2629 -78.4694 11.557 -78.4699 -227.328 -178.511 11.557 -178.511 -79.9509 GPRESSURE: 1200200 66.6896 -60.8487 -11.9155 -86.1205 -175.918 -264.99 -95.9049 -85.9561 -43.2488 PRESSAVG: 1200200 -27.6872 -47.2126 22.3304 -47.2126 19.6674 -40.3434 22.3304 -40.3435 10.3181 GPRESSAVG: 1200200 -27.036 -49.6218 22.6411 -48.3735 19.1274 -40.3195 21.5229 -40.4391 10.1833 TIMING: 1200200 CPU: 3781.59, 0.00325411/step Wall: 3781.59, 0.00325411/step, 3.43471 hours remaining, 238.011719 MB of memory in use. ENERGY: 1200200 3940.4942 20474.3875 14494.5525 255.3108 -203580.0244 2601.6194 0.0000 0.0000 52209.6833 -109603.9767 300.0498 -161813.6600 -109240.4563 299.1622 -89.3388 -50.8259 761118.0608 0.7661 0.7582 LDB: ============= START OF LOAD BALANCING ============== 3793.98 LDB: ============== END OF LOAD BALANCING =============== 3793.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3793.99 LDB: ============= START OF LOAD BALANCING ============== 3794.3 LDB: Largest compute 7077 load 0.032832 is 16.7% of average load 0.196065 LDB: Average compute 0.004355 is 2.2% of average load 0.196065 LDB: TIME 3794.31 LOAD: AVG 0.196065 MAX 0.214865 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.629 MB LDB: TIME 3794.31 LOAD: AVG 0.196065 MAX 0.214865 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.629 MB LDB: TIME 3794.31 LOAD: AVG 0.196065 MAX 0.214865 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.629 MB LDB: ============== END OF LOAD BALANCING =============== 3794.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3794.31 PRESSURE: 1200400 136.297 -183.066 -158.409 -183.067 196.804 -126.101 -158.409 -126.102 346.558 GPRESSURE: 1200400 175.941 -220.804 -166.225 -167.773 196.931 -94.6735 -121.354 -65.3882 378.265 PRESSAVG: 1200400 20.4826 -25.5993 43.4225 -25.5992 18.3972 -44.8178 43.4225 -44.8178 -10.5246 GPRESSAVG: 1200400 20.5214 -25.0675 44.5996 -27.2181 18.6949 -45.3635 43.2939 -43.7604 -10.8251 TIMING: 1200400 CPU: 3782.23, 0.00322462/step Wall: 3782.23, 0.00322462/step, 3.40341 hours remaining, 237.425781 MB of memory in use. ENERGY: 1200400 3918.3749 20525.6480 14485.6663 248.0016 -203754.7872 2726.3970 0.0000 0.0000 52369.3333 -109481.3661 300.9673 -161850.6994 -109115.2641 299.3094 226.5531 250.3789 760164.9551 9.4517 9.4637 PRESSURE: 1200600 -94.5129 127.454 156.954 127.453 -96.9565 -65.023 156.954 -65.0223 92.559 GPRESSURE: 1200600 -26.107 144.779 130.537 155.374 -66.432 -21.9448 149.477 -49.8783 82.188 PRESSAVG: 1200600 40.455 -28.1813 -2.46037 -28.1812 -26.9195 -35.5207 -2.46039 -35.5207 -0.593081 GPRESSAVG: 1200600 41.5559 -24.7947 -3.31675 -27.2533 -27.3359 -35.0434 -2.33226 -34.2033 -0.826227 TIMING: 1200600 CPU: 3782.86, 0.00314199/step Wall: 3782.86, 0.00314199/step, 3.31602 hours remaining, 237.425781 MB of memory in use. ENERGY: 1200600 3951.7476 20421.5505 14395.1983 242.5190 -203834.8833 2997.4977 0.0000 0.0000 52112.1569 -109714.2133 299.4893 -161826.3702 -109342.3103 299.1638 -32.9701 -3.4503 759905.3319 4.3142 4.4646 PRESSURE: 1200800 267.251 -88.2389 -152.448 -88.238 -410.482 256.749 -152.449 256.749 61.3159 GPRESSURE: 1200800 278.659 -85.7145 -170.531 -57.5861 -213.661 265.831 -181.523 248.656 -64.4837 PRESSAVG: 1200800 48.0053 40.2392 31.0067 40.2392 -51.5226 11.9621 31.0066 11.9621 -21.0918 GPRESSAVG: 1200800 46.2795 38.2609 31.0695 43.3069 -51.7915 11.4238 31.2031 10.3774 -19.2618 TIMING: 1200800 CPU: 3783.49, 0.00314001/step Wall: 3783.49, 0.00314001/step, 3.31376 hours remaining, 237.425781 MB of memory in use. ENERGY: 1200800 4000.4324 20449.5169 14412.9351 249.3182 -202886.7993 2316.5311 0.0000 0.0000 51919.9263 -109538.1393 298.3845 -161458.0656 -109170.4804 299.2664 -27.3053 0.1716 762842.4349 -8.2030 -8.2580 PRESSURE: 1201000 -32.4871 -116.364 -35.4794 -116.364 8.69768 -114.684 -35.4795 -114.684 -228.048 GPRESSURE: 1201000 113.196 -47.2501 11.5433 -136.342 14.7746 -173.783 -65.0011 7.27373 -290.21 PRESSAVG: 1201000 12.9031 17.1721 51.06 17.1721 -13.245 23.3219 51.06 23.3219 -4.26585 GPRESSAVG: 1201000 14.3091 17.8762 52.4231 13.5423 -14.3879 23.6791 51.7112 22.4966 -4.81752 TIMING: 1201000 CPU: 3784.12, 0.00315028/step Wall: 3784.12, 0.00315028/step, 3.32442 hours remaining, 237.425781 MB of memory in use. ENERGY: 1201000 4019.9862 20350.5472 14470.3967 238.4501 -203382.5709 2554.2447 0.0000 0.0000 52107.4541 -109641.4919 299.4623 -161748.9459 -109275.8303 299.2188 -83.9459 -54.0799 762891.6037 -1.5359 -1.6321 PRESSURE: 1201200 -184.313 14.6402 -255.093 14.6414 24.6408 -75.8621 -255.093 -75.8624 74.1772 GPRESSURE: 1201200 -165.71 126.858 -254.078 -45.5246 143.237 -107.017 -84.4991 44.1498 -0.266726 PRESSAVG: 1201200 28.2371 28.5691 -7.3846 28.5691 20.9975 -45.3899 -7.38467 -45.3898 19.5778 GPRESSAVG: 1201200 27.3555 29.1114 -7.79306 28.6958 23.3394 -43.4683 -8.85724 -44.3524 17.9231 TIMING: 1201200 CPU: 3784.75, 0.00314622/step Wall: 3784.75, 0.00314622/step, 3.31996 hours remaining, 237.425781 MB of memory in use. ENERGY: 1201200 3934.3041 20538.7022 14435.2251 249.2446 -203420.1925 2606.9141 0.0000 0.0000 51884.2043 -109771.5982 298.1792 -161655.8026 -109415.6081 299.0830 -28.4984 -7.5800 761242.0807 22.9375 22.8727 PRESSURE: 1201400 175.474 -115.827 90.487 -115.827 -258.717 82.0648 90.4875 82.0656 344.811 GPRESSURE: 1201400 276.767 -54.3295 71.2958 -154.295 -174.717 49.9195 111.42 -19.6748 246.248 PRESSAVG: 1201400 44.5408 -30.8713 -9.26432 -30.8713 -15.1493 -27.348 -9.26433 -27.348 17.6359 GPRESSAVG: 1201400 45.2996 -30.8373 -11.6462 -30.6819 -16.851 -29.1745 -6.6402 -24.7529 18.3072 TIMING: 1201400 CPU: 3785.38, 0.00316861/step Wall: 3785.38, 0.00316861/step, 3.34341 hours remaining, 237.425781 MB of memory in use. ENERGY: 1201400 3978.3074 20275.1337 14544.8998 228.0840 -203320.3452 2550.2145 0.0000 0.0000 51887.3015 -109856.4042 298.1970 -161743.7057 -109499.4039 298.6581 87.1891 116.0990 761226.7210 15.6758 15.5853 PRESSURE: 1201600 130.588 -56.3419 64.729 -56.3415 174.028 107.105 64.7293 107.105 265.292 GPRESSURE: 1201600 175.742 48.3254 81.5994 -97.3056 217.154 112.424 -40.5037 4.21873 261.86 PRESSAVG: 1201600 21.5832 12.7725 59.7275 12.7725 -6.99429 18.4469 59.7275 18.4469 9.24818 GPRESSAVG: 1201600 20.5783 12.4332 62.5529 12.7711 -5.19706 18.0613 58.7016 16.1398 8.59878 TIMING: 1201600 CPU: 3786.01, 0.00313842/step Wall: 3786.01, 0.00313842/step, 3.31138 hours remaining, 237.425781 MB of memory in use. ENERGY: 1201600 3991.4699 20374.4671 14536.0184 241.0358 -203899.6653 2860.7089 0.0000 0.0000 52219.5906 -109676.3746 300.1067 -161895.9651 -109302.5850 298.7237 189.9694 218.2522 760476.6649 7.9457 7.9934 PRESSURE: 1201800 -242.323 39.4511 148.074 39.4504 -420.625 75.0063 148.074 75.0051 -468.29 GPRESSURE: 1201800 -241.525 -66.1163 104.817 111.571 -370.399 41.8918 248.212 45.3856 -431.49 PRESSAVG: 1201800 -30.5245 14.213 8.02 14.213 35.6344 2.74043 8.01998 2.74047 23.7852 GPRESSAVG: 1201800 -30.1435 13.0841 8.00813 16.1737 34.7323 1.40694 7.96857 3.20738 24.3254 TIMING: 1201800 CPU: 3786.64, 0.00314432/step Wall: 3786.64, 0.00314432/step, 3.31743 hours remaining, 237.425781 MB of memory in use. ENERGY: 1201800 3969.3336 20419.4500 14505.7075 254.3949 -203193.7125 2460.2204 0.0000 0.0000 51855.6229 -109728.9830 298.0150 -161584.6060 -109367.1523 299.0523 -377.0795 -347.8044 762405.6974 9.6317 9.6380 PRESSURE: 1202000 -58.9145 -72.6826 -76.7982 -72.682 -162.805 -227.976 -76.7975 -227.977 -75.9888 GPRESSURE: 1202000 62.3791 -66.528 -89.2955 -52.9959 -209.005 -193.528 -228.277 -145.643 -76.644 PRESSAVG: 1202000 46.6011 -23.7851 28.204 -23.7852 -35.407 -16.0586 28.204 -16.0587 -7.36124 GPRESSAVG: 1202000 46.484 -22.8608 28.1999 -22.8261 -36.3865 -14.09 29.0288 -17.4506 -6.53659 TIMING: 1202000 CPU: 3787.27, 0.00315204/step Wall: 3787.27, 0.00315204/step, 3.3254 hours remaining, 237.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1202000 3954.2070 20518.6412 14555.8514 235.3895 -203078.7295 2236.9675 0.0000 0.0000 52002.1797 -109575.4932 298.8572 -161577.6729 -109230.5457 299.4951 -99.2360 -74.4234 762420.7128 1.2776 1.1869 PRESSURE: 1202200 -395.448 101.186 4.73501 101.187 -29.3686 -104.742 4.73434 -104.741 -99.9436 GPRESSURE: 1202200 -223.307 120.821 54.5486 51.3111 -16.9678 -106.936 -29.864 -7.60558 -200.217 PRESSAVG: 1202200 15.6702 -15.792 -0.750009 -15.792 16.1265 -41.4622 -0.750054 -41.4622 12.2043 GPRESSAVG: 1202200 16.1961 -15.3666 -1.19326 -17.6097 17.3297 -42.8738 -2.05354 -39.1143 10.7107 TIMING: 1202200 CPU: 3787.9, 0.00315968/step Wall: 3787.9, 0.00315968/step, 3.33329 hours remaining, 237.425781 MB of memory in use. ENERGY: 1202200 3948.8950 20304.4557 14487.7317 245.7208 -202959.4821 2443.9134 0.0000 0.0000 51972.2330 -109556.5324 298.6851 -161528.7654 -109198.3382 299.1901 -174.9199 -146.8308 762084.6740 14.6670 14.7455 PRESSURE: 1202400 245.503 -4.35878 -6.72271 -4.35823 -174.155 102.325 -6.72237 102.324 536.667 GPRESSURE: 1202400 221.457 48.7312 30.8973 89.6433 -71.7981 51.0645 -64.8793 59.205 532.079 PRESSAVG: 1202400 15.9889 -21.7315 -27.3312 -21.7315 -19.0771 33.1639 -27.3312 33.164 3.98655 GPRESSAVG: 1202400 16.262 -20.9995 -27.0931 -20.9239 -19.3587 35.3102 -27.5647 31.786 4.43528 TIMING: 1202400 CPU: 3788.53, 0.0031563/step Wall: 3788.53, 0.0031563/step, 3.32954 hours remaining, 237.425781 MB of memory in use. ENERGY: 1202400 3987.2019 20438.9323 14455.2500 256.4381 -203949.5096 2935.7462 0.0000 0.0000 52257.6256 -109618.3155 300.3253 -161875.9411 -109253.3770 299.0989 202.6720 227.2460 762148.9297 0.2995 0.4462 PRESSURE: 1202600 -138.966 210.708 -230.791 210.709 -312.961 2.0235 -230.791 2.02314 -28.8123 GPRESSURE: 1202600 -123.516 82.4379 -140.131 146.806 -300.436 -6.97548 -158.238 -31.4224 38.7479 PRESSAVG: 1202600 -4.58271 5.78293 -38.7276 5.78284 2.09398 -8.13863 -38.7276 -8.13865 -0.814077 GPRESSAVG: 1202600 -4.88403 4.69775 -38.6768 5.20123 2.65436 -9.63564 -38.6429 -9.93457 -1.11183 TIMING: 1202600 CPU: 3789.16, 0.00315098/step Wall: 3789.16, 0.00315098/step, 3.32376 hours remaining, 237.425781 MB of memory in use. ENERGY: 1202600 4114.4183 20338.6011 14450.3790 242.8025 -202944.9163 2422.1578 0.0000 0.0000 51919.4749 -109457.0826 298.3819 -161376.5575 -109096.7366 299.3732 -160.2464 -128.4013 762336.0830 -1.1009 -1.1138 PRESSURE: 1202800 -77.0033 19.2864 -70.8637 19.2859 -63.658 -231.836 -70.864 -231.836 -164.581 GPRESSURE: 1202800 -39.986 13.048 -1.53579 -41.5815 -2.98489 -233.772 -108.311 -84.3846 -185.202 PRESSAVG: 1202800 -16.8573 -2.491 -64.0338 -2.49099 63.7495 38.6103 -64.0338 38.6102 -18.4013 GPRESSAVG: 1202800 -16.7305 -1.27741 -64.2763 -4.08715 63.5282 39.8047 -63.0795 38.8715 -18.2965 TIMING: 1202800 CPU: 3789.79, 0.00313625/step Wall: 3789.79, 0.00313625/step, 3.30805 hours remaining, 237.425781 MB of memory in use. ENERGY: 1202800 3991.6770 20412.8023 14408.2851 239.2635 -203177.8810 2436.8368 0.0000 0.0000 52081.9383 -109607.0779 299.3156 -161689.0163 -109251.2517 299.2765 -101.7475 -76.0577 761290.2286 9.4969 9.5004 PRESSURE: 1203000 -106.77 -79.0209 106.439 -79.0195 -90.359 -101.882 106.439 -101.881 -412.354 GPRESSURE: 1203000 -145.288 -34.6887 107.456 -29.5358 -12.56 -40.8335 302.834 -179.946 -363.197 PRESSAVG: 1203000 -39.7948 58.9642 6.80876 58.9642 39.7098 42.3441 6.80862 42.3441 9.56871 GPRESSAVG: 1203000 -41.4012 60.3573 6.60814 59.1974 40.3994 42.1181 6.88751 42.7873 10.2477 TIMING: 1203000 CPU: 3790.42, 0.00315823/step Wall: 3790.42, 0.00315823/step, 3.33106 hours remaining, 237.425781 MB of memory in use. ENERGY: 1203000 3976.4721 20457.6990 14468.0099 239.2314 -203085.7956 2474.9753 0.0000 0.0000 51807.2101 -109662.1977 297.7367 -161469.4078 -109315.4771 298.8282 -203.1610 -173.6817 761796.9849 3.1612 3.0820 PRESSURE: 1203200 -1.80463 19.9202 41.4834 19.9215 126.838 83.8358 41.4835 83.8364 -88.3828 GPRESSURE: 1203200 86.5076 -7.09535 117.153 8.95066 64.1451 130.629 89.4997 -6.7022 -14.7756 PRESSAVG: 1203200 7.96911 -12.5821 14.895 -12.5822 12.9651 30.463 14.895 30.463 -18.475 GPRESSAVG: 1203200 8.86729 -14.0623 14.4828 -10.1572 11.8562 30.2706 14.438 30.5158 -19.0208 TIMING: 1203200 CPU: 3791.05, 0.00315779/step Wall: 3791.05, 0.00315779/step, 3.33042 hours remaining, 237.425781 MB of memory in use. ENERGY: 1203200 4045.3750 20450.1468 14432.9036 256.8063 -203032.7956 2339.6753 0.0000 0.0000 52022.9300 -109484.9586 298.9765 -161507.8885 -109128.5020 299.0537 12.2169 45.2924 760967.9783 0.8197 0.5676 PRESSURE: 1203400 90.8268 82.6263 -181.501 82.6267 261.365 -62.1208 -181.5 -62.12 170.301 GPRESSURE: 1203400 8.83557 115.883 -231.916 114.989 323.501 -160.887 -166.126 -3.15756 279.269 PRESSAVG: 1203400 -12.128 10.4962 -39.2576 10.4963 55.2892 -16.7236 -39.2576 -16.7236 14.3432 GPRESSAVG: 1203400 -13.1725 11.275 -37.7689 9.97092 54.7962 -17.0144 -38.7833 -14.7035 15.4632 TIMING: 1203400 CPU: 3791.69, 0.00317388/step Wall: 3791.69, 0.00317388/step, 3.34721 hours remaining, 237.425781 MB of memory in use. ENERGY: 1203400 3950.4695 20440.6156 14507.6684 245.8482 -203531.0296 2778.2930 0.0000 0.0000 51952.6029 -109655.5321 298.5723 -161608.1349 -109298.0050 299.0018 174.1641 203.8688 761955.9978 19.1681 19.0290 PRESSURE: 1203600 -80.9371 -34.1016 -250.5 -34.1019 -31.326 40.5781 -250.5 40.5778 -134.821 GPRESSURE: 1203600 -54.0003 -130.98 -325.581 -46.1675 -30.2313 -96.4607 -192.259 -70.1092 -60.2504 PRESSAVG: 1203600 0.0124829 -5.65582 -58.0923 -5.6559 -25.1289 -33.0892 -58.0923 -33.0892 13.5718 GPRESSAVG: 1203600 1.09785 -6.22899 -60.2462 -5.7952 -25.1234 -34.2445 -58.3167 -34.035 12.7357 TIMING: 1203600 CPU: 3792.32, 0.00316946/step Wall: 3792.32, 0.00316946/step, 3.34238 hours remaining, 237.425781 MB of memory in use. ENERGY: 1203600 3979.1420 20469.9925 14426.5064 263.6814 -203479.5233 2566.9970 0.0000 0.0000 51840.1974 -109933.0065 297.9263 -161773.2039 -109568.6838 298.6663 -82.3615 -48.1607 761930.5833 -3.8482 -3.7633 PRESSURE: 1203800 -189.297 -125.559 7.66287 -125.559 332.787 -127.552 7.66215 -127.552 -184.473 GPRESSURE: 1203800 -118.871 -93.3345 -23.5415 -57.6882 295.203 -134.695 -82.3738 -150.003 -131.858 PRESSAVG: 1203800 -30.7551 -22.0528 -18.587 -22.0529 -9.8902 22.141 -18.587 22.1411 -19.0534 GPRESSAVG: 1203800 -30.6865 -21.5881 -18.2979 -21.8967 -10.7401 24.9031 -20.1134 19.8778 -18.2248 TIMING: 1203800 CPU: 3792.95, 0.00315469/step Wall: 3792.95, 0.00315469/step, 3.32662 hours remaining, 237.425781 MB of memory in use. ENERGY: 1203800 3877.9949 20562.0564 14482.6680 251.7665 -203942.1623 2910.1061 0.0000 0.0000 51952.8949 -109904.6754 298.5740 -161857.5704 -109542.8993 298.4654 -13.6609 14.8249 762534.2217 -19.8996 -19.8838 PRESSURE: 1204000 -224.485 54.8694 -103.675 54.8689 -122.411 -159.121 -103.675 -159.122 187.056 GPRESSURE: 1204000 -149.388 9.40903 21.9861 138.37 -117.533 -191.647 -115.996 -131.625 187.207 PRESSAVG: 1204000 -11.6287 0.589858 4.20537 0.589858 -18.065 -22.5593 4.20539 -22.5592 -21.524 GPRESSAVG: 1204000 -11.1922 0.411934 4.48895 1.01995 -17.5417 -24.9391 4.3237 -21.0907 -22.7951 TIMING: 1204000 CPU: 3793.58, 0.00315943/step Wall: 3793.58, 0.00315943/step, 3.33144 hours remaining, 237.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1204000 3936.0474 20375.9754 14427.0010 233.2864 -203699.4552 2688.1364 0.0000 0.0000 52048.7567 -109990.2520 299.1249 -162039.0087 -109620.5369 298.1399 -53.2801 -26.5713 762670.4564 -17.0726 -17.1763 PRESSURE: 1204200 246.68 117.955 161.251 117.954 84.3043 -183.792 161.251 -183.792 240.92 GPRESSURE: 1204200 287.513 92.6671 109.349 103.42 59.0396 -247.561 158.745 -33.9061 299.675 PRESSAVG: 1204200 52.192 -34.3819 0.146012 -34.3819 -37.2696 -60.9063 0.146053 -60.9064 0.966526 GPRESSAVG: 1204200 51.969 -33.6505 0.856139 -34.7862 -37.4167 -60.9357 1.95952 -61.9679 1.56942 TIMING: 1204200 CPU: 3794.21, 0.00316316/step Wall: 3794.21, 0.00316316/step, 3.3352 hours remaining, 237.425781 MB of memory in use. ENERGY: 1204200 3889.2464 20487.7155 14395.9756 245.2686 -203318.3942 2583.8748 0.0000 0.0000 51637.0259 -110079.2875 296.7587 -161716.3133 -109728.5965 298.4305 190.6348 215.4091 762760.3287 5.2963 5.3739 LDB: ============= START OF LOAD BALANCING ============== 3806.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3806.61 LDB: =============== DONE WITH MIGRATION ================ 3806.62 LDB: ============= START OF LOAD BALANCING ============== 3806.93 LDB: Largest compute 7026 load 0.033072 is 16.9% of average load 0.195967 LDB: Average compute 0.004357 is 2.2% of average load 0.195967 LDB: TIME 3806.94 LOAD: AVG 0.195967 MAX 0.213847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.176 MB LDB: TIME 3806.94 LOAD: AVG 0.195967 MAX 0.213847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.176 MB LDB: TIME 3806.94 LOAD: AVG 0.195967 MAX 0.213847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.176 MB LDB: ============== END OF LOAD BALANCING =============== 3806.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3806.94 PRESSURE: 1204400 -0.418558 -24.3611 2.47421 -24.3603 395.5 -45.2496 2.47322 -45.2486 182.968 GPRESSURE: 1204400 61.9209 -92.6287 -6.99289 -66.7509 380.762 -56.4366 87.0063 92.8633 209.871 PRESSAVG: 1204400 -18.6498 6.49066 -35.3426 6.49068 10.3625 -4.24232 -35.3426 -4.24235 4.25004 GPRESSAVG: 1204400 -19.3506 5.36945 -35.5182 3.86395 11.2192 -4.89717 -36.4879 -2.30019 4.29952 TIMING: 1204400 CPU: 3794.86, 0.00322572/step Wall: 3794.86, 0.00322572/step, 3.40098 hours remaining, 239.171875 MB of memory in use. ENERGY: 1204400 3880.5930 20418.8233 14444.9435 233.3920 -203861.8975 2745.9845 0.0000 0.0000 52096.3501 -110041.8111 299.3984 -162138.1612 -109667.8144 297.8535 192.6830 217.5179 760809.6539 -1.3457 -1.2773 PRESSURE: 1204600 -93.9941 70.0861 7.71896 70.0853 129.279 -173.144 7.71844 -173.144 119.14 GPRESSURE: 1204600 -1.99272 98.263 -38.1277 80.1106 98.3606 -223.596 -37.4946 -88.9736 129.888 PRESSAVG: 1204600 -40.6557 -14.6783 -50.8365 -14.6783 61.6876 -21.6786 -50.8365 -21.6787 4.57892 GPRESSAVG: 1204600 -39.6912 -14.8134 -52.5029 -11.5807 59.542 -20.2729 -49.674 -20.8342 4.98561 TIMING: 1204600 CPU: 3795.49, 0.00315446/step Wall: 3795.49, 0.00315446/step, 3.32568 hours remaining, 239.171875 MB of memory in use. ENERGY: 1204600 3960.6303 20395.3140 14415.8534 250.5622 -203548.6462 2703.8485 0.0000 0.0000 51890.3669 -109932.0709 298.2147 -161822.4378 -109581.0845 298.3794 51.4750 75.4187 760804.9606 8.5370 8.2788 PRESSURE: 1204800 -80.1385 -256.68 -96.698 -256.68 -91.0422 -42.6049 -96.6989 -42.6059 -103.944 GPRESSURE: 1204800 -1.71714 -144.365 -72.0162 -246.455 -105.117 -68.0273 75.1985 35.9876 -65.1254 PRESSAVG: 1204800 13.3618 -6.95836 -37.4074 -6.95836 -8.27293 -27.7174 -37.4075 -27.7174 1.90511 GPRESSAVG: 1204800 13.6695 -6.72314 -35.5275 -8.03735 -7.71997 -28.6957 -37.399 -27.0624 1.54147 TIMING: 1204800 CPU: 3796.13, 0.00317972/step Wall: 3796.13, 0.00317972/step, 3.35213 hours remaining, 239.171875 MB of memory in use. ENERGY: 1204800 4006.6847 20447.9365 14404.6567 247.4544 -202841.8613 2210.8559 0.0000 0.0000 51645.7209 -109878.5523 296.8087 -161524.2732 -109537.9076 298.2476 -91.7081 -57.3198 759763.0247 2.3313 2.4970 PRESSURE: 1205000 -569.321 195.502 47.4932 195.501 -318.693 -53.7618 47.4922 -53.7615 -557.421 GPRESSURE: 1205000 -589.913 160.919 101.616 238.856 -289.328 -144.872 19.6032 -74.6786 -474.102 PRESSAVG: 1205000 19.4354 23.7234 18.858 23.7233 4.36929 29.4297 18.858 29.4296 -17.3825 GPRESSAVG: 1205000 18.5276 20.9395 17.5461 24.9684 4.66074 29.0661 17.6993 27.028 -16.9515 TIMING: 1205000 CPU: 3796.76, 0.00317923/step Wall: 3796.76, 0.00317923/step, 3.35144 hours remaining, 239.171875 MB of memory in use. ENERGY: 1205000 4027.3728 20292.5680 14418.1483 240.3117 -202862.1953 2171.3554 0.0000 0.0000 51829.4050 -109883.0341 297.8643 -161712.4391 -109515.8459 298.2663 -481.8117 -451.1146 763411.6710 2.1407 2.0789 PRESSURE: 1205200 202.297 -109.636 13.6343 -109.635 -355.766 -46.2753 13.6341 -46.274 -444.668 GPRESSURE: 1205200 157.926 -70.389 33.5827 -105.279 -326.664 -76.7909 37.6476 -175.144 -335.902 PRESSAVG: 1205200 34.5623 49.8815 -21.0358 49.8814 -45.714 8.4854 -21.0358 8.48535 -4.48622 GPRESSAVG: 1205200 33.8328 52.729 -20.3796 50.5497 -44.734 9.16239 -23.7386 10.5966 -4.77396 TIMING: 1205200 CPU: 3797.4, 0.00316749/step Wall: 3797.4, 0.00316749/step, 3.33889 hours remaining, 239.171875 MB of memory in use. ENERGY: 1205200 4033.0863 20579.5866 14367.2463 245.2775 -203348.7298 2531.4450 0.0000 0.0000 51782.5833 -109809.5048 297.5952 -161592.0881 -109457.4199 298.4392 -199.3790 -168.2135 761513.5669 -5.2126 -5.2251 PRESSURE: 1205400 -68.4037 0.373374 119.211 0.372994 -170.68 -27.3098 119.211 -27.3083 117.62 GPRESSURE: 1205400 -57.7052 16.945 179.388 -11.2141 -73.4204 -62.1756 152.42 5.2063 79.917 PRESSAVG: 1205400 17.1477 56.289 -19.8469 56.289 -47.7018 -46.8743 -19.8469 -46.8743 -21.6862 GPRESSAVG: 1205400 16.5417 55.8769 -20.8646 54.9563 -47.2773 -48.1543 -12.8107 -48.4306 -21.4506 TIMING: 1205400 CPU: 3798.03, 0.00315692/step Wall: 3798.03, 0.00315692/step, 3.32757 hours remaining, 239.171875 MB of memory in use. ENERGY: 1205400 3997.5779 20264.1031 14401.5623 233.4538 -203387.5102 2560.2954 0.0000 0.0000 52153.5698 -109776.9479 299.7273 -161930.5177 -109409.8503 298.4827 -40.4879 -17.0695 759572.0515 -17.4134 -17.3954 PRESSURE: 1205600 132.7 46.212 103.564 46.2127 191.972 -151.85 103.564 -151.85 -458.68 GPRESSURE: 1205600 155.379 -27.4056 123.853 62.7623 201.717 -124.998 -170.208 -192.069 -425.171 PRESSAVG: 1205600 32.4966 -17.1277 25.1777 -17.1277 -28.9174 -94.7433 25.1777 -94.7433 -2.95511 GPRESSAVG: 1205600 34.8589 -16.2693 25.7856 -17.6946 -30.4961 -91.6126 22.2284 -94.5829 -4.29361 TIMING: 1205600 CPU: 3798.66, 0.00315159/step Wall: 3798.66, 0.00315159/step, 3.32177 hours remaining, 239.171875 MB of memory in use. ENERGY: 1205600 4017.8170 20418.0251 14359.6788 248.4545 -203630.1929 2662.3320 0.0000 0.0000 52140.1330 -109783.7526 299.6501 -161923.8856 -109426.9504 298.8429 -44.6692 -22.6916 761027.7747 0.2080 0.0231 PRESSURE: 1205800 43.0039 4.63683 -77.6276 4.63655 -328.869 -78.0269 -77.6275 -78.0258 -427.799 GPRESSURE: 1205800 79.505 56.3094 13.9641 20.6015 -282.747 -76.6982 -11.0313 -43.3805 -409.222 PRESSAVG: 1205800 -41.9164 -47.759 -27.2208 -47.759 50.1709 -37.1132 -27.2208 -37.1132 -19.5515 GPRESSAVG: 1205800 -42.8583 -47.5676 -26.1217 -47.7626 50.8836 -38.3544 -29.8813 -37.5589 -18.7866 TIMING: 1205800 CPU: 3799.29, 0.00314461/step Wall: 3799.29, 0.00314461/step, 3.31425 hours remaining, 239.171875 MB of memory in use. ENERGY: 1205800 4008.5044 20633.0351 14423.0086 271.0731 -203230.4607 2289.8511 0.0000 0.0000 51958.9890 -109645.9994 298.6090 -161604.9884 -109286.7410 299.0756 -237.8881 -204.1546 760880.6090 -3.7656 -3.5871 PRESSURE: 1206000 90.0234 80.3202 94.6159 80.32 -48.7301 11.291 94.6163 11.29 -105.17 GPRESSURE: 1206000 31.5542 -63.6193 81.8389 11.1841 65.1581 -39.9293 67.295 26.3803 -73.1646 PRESSAVG: 1206000 -22.4515 -34.8838 -62.7532 -34.8838 4.44464 -4.55624 -62.7532 -4.55621 -10.1508 GPRESSAVG: 1206000 -23.638 -35.4618 -63.1167 -33.3545 4.53652 -6.88636 -62.7199 -2.78205 -9.11081 TIMING: 1206000 CPU: 3799.92, 0.00314272/step Wall: 3799.92, 0.00314272/step, 3.31208 hours remaining, 239.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1206000 3967.7157 20503.4050 14429.1540 258.7761 -203040.5466 2291.8599 0.0000 0.0000 51837.0957 -109752.5401 297.9085 -161589.6359 -109390.8408 298.9180 -21.2922 7.8492 759783.4162 -9.3859 -9.4041 PRESSURE: 1206200 -372.581 -29.1725 58.0942 -29.1734 -175.304 -15.4795 58.0934 -15.4793 -191.503 GPRESSURE: 1206200 -379.026 -97.0593 -8.04784 -56.5018 -75.6478 -4.79936 1.8127 38.1476 -187.592 PRESSAVG: 1206200 -46.6925 -22.6385 -17.7639 -22.6385 40.6356 -17.2137 -17.7639 -17.2135 -12.3651 GPRESSAVG: 1206200 -46.2298 -22.1457 -18.7327 -23.5646 40.3994 -14.1573 -14.8185 -17.4478 -11.8842 TIMING: 1206200 CPU: 3800.55, 0.00315182/step Wall: 3800.55, 0.00315182/step, 3.32149 hours remaining, 239.171875 MB of memory in use. ENERGY: 1206200 4045.4860 20468.5569 14408.1055 246.2757 -203331.4389 2385.2255 0.0000 0.0000 51940.7588 -109837.0305 298.5043 -161777.7894 -109485.6850 299.1203 -246.4627 -214.0887 761793.8908 -6.1407 -5.9049 PRESSURE: 1206400 170.9 172.342 -6.97462 172.342 3.64437 -90.6737 -6.97417 -90.6736 451.018 GPRESSURE: 1206400 169.524 225.405 53.9403 147.669 136.797 -38.1013 -10.1886 -157.84 410.952 PRESSAVG: 1206400 -42.2623 23.5266 -32.0832 23.5266 66.433 5.52728 -32.0833 5.52729 21.9731 GPRESSAVG: 1206400 -41.252 24.3025 -32.7172 22.5067 67.7461 3.66463 -32.9988 4.73811 19.7364 TIMING: 1206400 CPU: 3801.18, 0.00315235/step Wall: 3801.18, 0.00315235/step, 3.32188 hours remaining, 239.171875 MB of memory in use. ENERGY: 1206400 3868.6586 20239.7972 14392.6001 240.4769 -203765.8329 2741.4983 0.0000 0.0000 52144.5950 -110138.2067 299.6757 -162282.8017 -109768.9596 298.9275 208.5209 239.0912 760264.5096 15.3812 15.4101 PRESSURE: 1206600 -154.416 65.9485 65.3612 65.9477 -61.9976 4.80913 65.3607 4.80936 177.744 GPRESSURE: 1206600 -167.369 -44.0168 49.1114 -82.1844 -72.0204 -20.2663 108.534 -138.923 288.337 PRESSAVG: 1206600 -17.0433 -20.3204 -18.9559 -20.3205 42.5071 -54.3692 -18.9559 -54.3691 -11.8121 GPRESSAVG: 1206600 -17.1411 -20.7917 -18.4417 -20.4834 41.4121 -52.879 -20.6535 -54.4398 -9.99993 TIMING: 1206600 CPU: 3801.81, 0.0031559/step Wall: 3801.81, 0.0031559/step, 3.32544 hours remaining, 239.171875 MB of memory in use. ENERGY: 1206600 4048.2470 20458.7302 14357.5594 232.6021 -203355.4375 2521.8631 0.0000 0.0000 52014.3610 -109722.0748 298.9272 -161736.4358 -109363.9804 298.8137 -12.8900 16.3159 761645.6514 4.5505 4.7570 PRESSURE: 1206800 354.756 -107.574 129.932 -107.574 -182.686 -38.3421 129.932 -38.3423 243.773 GPRESSURE: 1206800 343.676 -246.412 127.967 112.05 -29.5249 16.5706 177.028 -77.0972 204.468 PRESSAVG: 1206800 58.0276 -13.5927 -55.0793 -13.5927 -6.66769 -19.6654 -55.0793 -19.6653 -15.1488 GPRESSAVG: 1206800 56.8729 -15.9073 -54.4658 -11.2646 -5.04528 -20.3102 -53.815 -20.2944 -15.4731 TIMING: 1206800 CPU: 3802.43, 0.00312975/step Wall: 3802.43, 0.00312975/step, 3.29771 hours remaining, 239.171875 MB of memory in use. ENERGY: 1206800 3993.6928 20587.3621 14412.3244 244.3181 -203712.9252 2644.7870 0.0000 0.0000 51871.2896 -109959.1512 298.1050 -161830.4408 -109602.8183 298.7715 138.6140 172.8730 759451.9604 12.0704 12.1182 PRESSURE: 1207000 -61.2242 108.246 -58.5252 108.245 -117.921 -60.8584 -58.524 -60.8587 241.607 GPRESSURE: 1207000 17.9892 -24.7235 -123.119 156.664 -114.556 -26.8681 -111.051 40.8806 240.796 PRESSAVG: 1207000 7.64328 -61.0987 -54.415 -61.0987 8.40845 -48.3004 -54.415 -48.3003 12.863 GPRESSAVG: 1207000 9.43193 -57.5895 -57.3565 -62.2396 7.80661 -49.4305 -52.5062 -45.4149 11.9721 TIMING: 1207000 CPU: 3803.06, 0.00314364/step Wall: 3803.06, 0.00314365/step, 3.31218 hours remaining, 239.171875 MB of memory in use. ENERGY: 1207000 3951.3640 20465.4007 14414.0782 225.1473 -203532.9452 2463.8263 0.0000 0.0000 52185.0807 -109828.0482 299.9084 -162013.1289 -109458.7656 298.5066 20.8206 48.0765 761035.4244 9.6383 9.7369 PRESSURE: 1207200 -15.8359 81.9998 -212.4 81.9993 -128.641 36.3996 -212.399 36.3995 163.839 GPRESSURE: 1207200 53.8217 116.043 -175.627 54.932 -137.209 68.1634 -193.741 -17.6571 186.58 PRESSAVG: 1207200 3.47515 -1.38769 -61.7791 -1.38762 -8.88947 -6.19276 -61.7792 -6.19268 -8.77217 GPRESSAVG: 1207200 2.73203 -3.10573 -60.1488 -0.752295 -9.0204 -5.68579 -64.7664 -8.65112 -8.03116 TIMING: 1207200 CPU: 3803.69, 0.00315279/step Wall: 3803.69, 0.00315278/step, 3.32163 hours remaining, 239.171875 MB of memory in use. ENERGY: 1207200 3936.7475 20492.1460 14422.6134 277.1230 -203202.0003 2529.3120 0.0000 0.0000 51609.5865 -109934.4718 296.6010 -161544.0584 -109576.4485 298.6228 6.4540 34.3977 764447.4102 -4.7288 -4.7732 PRESSURE: 1207400 -53.0318 -149.248 -93.9938 -149.246 -520.868 -94.4823 -93.993 -94.4821 -295.727 GPRESSURE: 1207400 -66.7805 -82.0067 -219.97 -38.4751 -417.578 -100.458 -42.1768 -221.015 -293.481 PRESSAVG: 1207400 20.3922 -7.138 -47.4289 -7.13791 -52.9423 -18.4387 -47.4289 -18.4387 -7.52889 GPRESSAVG: 1207400 20.2009 -6.50254 -47.9302 -9.09107 -52.7573 -18.8354 -47.7487 -18.2285 -7.42568 TIMING: 1207400 CPU: 3804.32, 0.00314387/step Wall: 3804.32, 0.00314388/step, 3.31207 hours remaining, 239.171875 MB of memory in use. ENERGY: 1207400 3874.5848 20540.7106 14376.2289 247.0686 -203270.2469 2392.9753 0.0000 0.0000 51964.3506 -109874.3282 298.6398 -161838.6788 -109509.0459 299.1446 -289.8755 -259.2798 763624.1174 -13.3597 -13.3274 PRESSURE: 1207600 -164.851 70.0369 49.9544 70.0372 5.25778 -5.45795 49.9552 -5.45785 -207.876 GPRESSURE: 1207600 -107.182 -50.9541 52.3809 24.6299 69.5252 -137.012 14.951 18.0317 -246.074 PRESSAVG: 1207600 42.6598 -5.3436 -36.1212 -5.34357 -71.6991 -41.7741 -36.1212 -41.7741 -10.937 GPRESSAVG: 1207600 42.9818 -6.14319 -35.225 -2.62908 -71.0968 -41.1382 -31.9999 -43.0979 -11.2985 TIMING: 1207600 CPU: 3804.95, 0.00315016/step Wall: 3804.95, 0.00315016/step, 3.31852 hours remaining, 239.171875 MB of memory in use. ENERGY: 1207600 3928.0366 20563.3432 14407.3054 248.3071 -203269.0302 2364.0883 0.0000 0.0000 51698.2463 -110059.7033 297.1105 -161757.9496 -109698.0211 298.1279 -122.4900 -94.5769 762845.2190 -13.3254 -13.1379 PRESSURE: 1207800 259.764 186.009 -83.1383 186.009 -198.83 22.1094 -83.1377 22.1109 -15.248 GPRESSURE: 1207800 277.083 249.129 -98.0846 238.143 -161.556 -36.1456 -174.942 66.2374 35.5018 PRESSAVG: 1207800 52.4096 -13.9868 -21.2369 -13.9868 -44.8134 -32.0682 -21.2368 -32.0683 -4.11611 GPRESSAVG: 1207800 51.3704 -12.4798 -22.2093 -13.6353 -44.8574 -32.526 -23.1379 -32.0594 -3.34035 TIMING: 1207800 CPU: 3805.58, 0.00315511/step Wall: 3805.58, 0.00315511/step, 3.32356 hours remaining, 239.171875 MB of memory in use. ENERGY: 1207800 3984.3426 20587.0377 14361.0230 250.1343 -203605.8004 2512.1354 0.0000 0.0000 52182.1426 -109728.9847 299.8915 -161911.1273 -109366.8472 298.4485 15.2286 50.3428 760593.8991 1.1600 1.0575 PRESSURE: 1208000 33.2863 -146.606 -48.716 -146.605 -276.475 -152.331 -48.7163 -152.332 86.2504 GPRESSURE: 1208000 100.518 -181.939 -67.5867 -10.9265 -209.043 -205.649 -124.659 -146.411 10.2584 PRESSAVG: 1208000 34.8281 1.45281 -28.365 1.4528 -74.43 -14.05 -28.365 -14.05 13.8385 GPRESSAVG: 1208000 34.4693 -0.0960734 -28.3637 3.34519 -74.9725 -13.3616 -28.9351 -12.2916 13.8973 TIMING: 1208000 CPU: 3806.21, 0.00313217/step Wall: 3806.21, 0.00313217/step, 3.29922 hours remaining, 239.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1208000 3973.4600 20549.7382 14376.9421 233.0815 -203174.2618 2422.6619 0.0000 0.0000 51969.9638 -109648.4144 298.6721 -161618.3782 -109284.3171 299.2395 -52.3127 -32.7557 760979.9496 -8.5878 -8.8686 PRESSURE: 1208200 -179.921 37.6398 -93.4883 37.6408 -283.298 -27.4175 -93.4881 -27.4187 111.429 GPRESSURE: 1208200 -84.5653 63.8939 -118.78 -11.5418 -217.796 -26.7501 -113.211 -28.3405 51.9573 PRESSAVG: 1208200 75.6875 -19.9155 -12.6988 -19.9154 -75.729 12.5608 -12.6987 12.5607 -0.271413 GPRESSAVG: 1208200 76.6764 -18.8046 -11.5956 -24.3314 -76.4653 13.2426 -13.8447 11.4952 -0.731239 TIMING: 1208200 CPU: 3806.83, 0.00312209/step Wall: 3806.83, 0.00312209/step, 3.28842 hours remaining, 239.171875 MB of memory in use. ENERGY: 1208200 4045.9817 20542.0433 14321.3882 236.3365 -203167.3212 2343.4011 0.0000 0.0000 52069.4820 -109608.6884 299.2440 -161678.1704 -109241.1227 299.3611 -117.2632 -83.4681 760151.4200 -0.1043 -0.1734 LDB: ============= START OF LOAD BALANCING ============== 3819.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3819.23 LDB: =============== DONE WITH MIGRATION ================ 3819.23 LDB: ============= START OF LOAD BALANCING ============== 3819.54 LDB: Largest compute 7077 load 0.034517 is 17.6% of average load 0.196019 LDB: Average compute 0.004361 is 2.2% of average load 0.196019 LDB: TIME 3819.55 LOAD: AVG 0.196019 MAX 0.214867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.117 MB LDB: TIME 3819.55 LOAD: AVG 0.196019 MAX 0.214867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.32 MB LDB: TIME 3819.55 LOAD: AVG 0.196019 MAX 0.214867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.32 MB LDB: ============== END OF LOAD BALANCING =============== 3819.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3819.55 PRESSURE: 1208400 -30.4368 -101.205 -60.7654 -101.205 -39.1114 184.041 -60.7652 184.042 -710.94 GPRESSURE: 1208400 -46.2389 -60.999 -41.0729 -143.958 -6.68638 198.668 -26.2197 258.747 -647.048 PRESSAVG: 1208400 23.3754 -2.64823 -14.7503 -2.64826 -7.20962 2.88479 -14.7503 2.8848 12.8464 GPRESSAVG: 1208400 22.5326 -3.32551 -14.8946 -1.76757 -6.57967 1.54099 -14.6614 4.33908 13.401 TIMING: 1208400 CPU: 3807.47, 0.00319601/step Wall: 3807.47, 0.00319601/step, 3.36611 hours remaining, 239.941406 MB of memory in use. ENERGY: 1208400 4020.7268 20637.0325 14423.2958 237.9808 -203557.1324 2355.0995 0.0000 0.0000 52096.8165 -109786.1804 299.4011 -161882.9969 -109421.1196 299.2018 -260.1626 -233.3246 760829.7124 9.6707 9.7847 PRESSURE: 1208600 -224.877 -139.649 94.7407 -139.649 46.6141 -285.292 94.7419 -285.291 -102.843 GPRESSURE: 1208600 -236.151 -123.241 72.8672 -131.743 48.0881 -327.041 74.7701 -340.707 -15.7405 PRESSAVG: 1208600 13.8184 -50.3164 5.34811 -50.3164 -16.7966 23.6214 5.34806 23.6215 -5.04472 GPRESSAVG: 1208600 13.3013 -49.6333 5.17613 -49.9005 -16.517 23.6315 7.07726 23.5685 -4.96014 TIMING: 1208600 CPU: 3808.1, 0.00315205/step Wall: 3808.1, 0.00315205/step, 3.31963 hours remaining, 240.144531 MB of memory in use. ENERGY: 1208600 3995.3661 20487.6182 14351.5441 241.2133 -203595.5714 2562.1965 0.0000 0.0000 52029.6921 -109927.9411 299.0154 -161957.6332 -109559.5541 298.5187 -93.7020 -67.9345 761635.6277 -2.6743 -2.7253 PRESSURE: 1208800 247.492 20.2107 -41.771 20.2104 -46.1143 198.134 -41.7711 198.134 120.614 GPRESSURE: 1208800 280.064 78.7445 -51.5138 4.03138 32.99 14.9709 6.15655 312.006 98.2762 PRESSAVG: 1208800 52.2111 -28.3589 24.6877 -28.359 -28.7361 2.07706 24.6877 2.07709 1.43663 GPRESSAVG: 1208800 52.2819 -29.4378 23.3371 -28.5728 -28.507 3.56518 24.3563 0.303157 1.30785 TIMING: 1208800 CPU: 3808.73, 0.00315153/step Wall: 3808.73, 0.00315152/step, 3.31891 hours remaining, 240.144531 MB of memory in use. ENERGY: 1208800 3934.2046 20527.6833 14465.5040 247.0317 -203797.9267 2666.0923 0.0000 0.0000 51900.4700 -110056.9408 298.2727 -161957.4108 -109697.8863 298.2553 107.3305 137.1102 761000.2130 8.3039 8.3609 PRESSURE: 1209000 188.728 41.173 240.936 41.1729 397.004 164.313 240.935 164.313 298.411 GPRESSURE: 1209000 315.409 92.0259 183.94 61.2592 380.769 197.901 109.879 257.178 247.357 PRESSAVG: 1209000 44.5096 20.6052 -17.9779 20.6053 -12.6622 53.7973 -17.978 53.7973 -21.9208 GPRESSAVG: 1209000 45.7875 21.3266 -15.2643 23.1874 -15.2016 51.9884 -19.9479 53.877 -20.9099 TIMING: 1209000 CPU: 3809.37, 0.00317151/step Wall: 3809.37, 0.00317151/step, 3.33978 hours remaining, 240.144531 MB of memory in use. ENERGY: 1209000 4021.3267 20439.3077 14394.1383 234.3534 -204139.9644 3020.6744 0.0000 0.0000 51969.4064 -110060.7574 298.6689 -162030.1638 -109705.6068 298.3070 294.7144 314.5115 760543.8613 3.3088 3.2253 PRESSURE: 1209200 302.226 408.864 -72.649 408.862 69.9932 -46.2838 -72.6499 -46.2835 65.6388 GPRESSURE: 1209200 284.63 225.476 -80.5775 374.698 145.38 -41.7604 -205.968 -58.7831 98.7532 PRESSAVG: 1209200 36.9956 2.72774 -64.321 2.72784 -44.5876 51.801 -64.321 51.8009 6.44267 GPRESSAVG: 1209200 35.9573 1.89294 -65.8499 1.21764 -42.3292 54.6495 -62.7053 51.7099 5.26256 TIMING: 1209200 CPU: 3810, 0.00316324/step Wall: 3810, 0.00316324/step, 3.33089 hours remaining, 240.144531 MB of memory in use. ENERGY: 1209200 3939.0244 20415.7475 14342.9433 242.5288 -203516.7900 2749.9233 0.0000 0.0000 51782.4916 -110044.1311 297.5947 -161826.6227 -109694.2517 298.2100 145.9528 176.2544 760275.3566 -0.3831 -0.3698 PRESSURE: 1209400 -70.4851 59.7059 -122.282 59.7058 -404.341 -455.773 -122.281 -455.773 -169.829 GPRESSURE: 1209400 -54.6348 40.9775 -108.142 77.2525 -375.9 -383.854 -109.307 -306.83 -125.609 PRESSAVG: 1209400 -1.4019 -28.945 -56.6935 -28.9449 -17.4988 -12.2586 -56.6935 -12.2585 5.16642 GPRESSAVG: 1209400 -1.2554 -29.1646 -57.1081 -30.1367 -16.8983 -14.4937 -57.0378 -10.1223 4.3939 TIMING: 1209400 CPU: 3810.63, 0.00315298/step Wall: 3810.63, 0.00315298/step, 3.31991 hours remaining, 240.199219 MB of memory in use. ENERGY: 1209400 4036.5305 20448.4040 14445.3098 244.1899 -203195.6163 2358.0691 0.0000 0.0000 51441.0486 -110222.0643 295.6324 -161663.1129 -109864.5101 297.7296 -214.8849 -185.3813 762331.7004 -4.5781 -4.5866 PRESSURE: 1209600 162.452 37.1768 80.6669 37.1774 281.343 -12.3363 80.6663 -12.3359 45.9207 GPRESSURE: 1209600 173.161 175.265 114.687 -27.3197 260.412 40.2608 152.793 -131.774 153.378 PRESSAVG: 1209600 35.0047 2.77791 -56.2952 2.77795 -32.6087 -75.3077 -56.2951 -75.3076 -27.7514 GPRESSAVG: 1209600 34.4948 4.00617 -55.1066 3.08093 -33.293 -74.0453 -55.5056 -76.2171 -26.8144 TIMING: 1209600 CPU: 3811.26, 0.00316433/step Wall: 3811.26, 0.00316433/step, 3.33169 hours remaining, 240.199219 MB of memory in use. ENERGY: 1209600 3930.7834 20326.8582 14346.0032 258.7152 -203971.1604 2927.5791 0.0000 0.0000 51981.9298 -110199.2914 298.7409 -162181.2212 -109838.9855 297.2261 163.2385 195.6502 761062.7810 -8.4518 -8.5375 PRESSURE: 1209800 170.519 -164.879 76.5445 -164.878 -40.5945 -46.1625 76.5438 -46.1624 -133.315 GPRESSURE: 1209800 183.908 -243.789 46.936 -176.914 14.7993 -41.6457 0.670439 -56.0154 -107.214 PRESSAVG: 1209800 -37.3989 45.1093 -35.1469 45.1093 1.1929 -33.8703 -35.1468 -33.8702 -24.818 GPRESSAVG: 1209800 -36.3456 45.279 -35.361 44.3346 -0.00907906 -34.2813 -35.3106 -33.3963 -24.8206 TIMING: 1209800 CPU: 3811.89, 0.00315405/step Wall: 3811.89, 0.00315405/step, 3.32069 hours remaining, 240.437500 MB of memory in use. ENERGY: 1209800 4041.6964 20232.4270 14426.4789 238.4488 -203543.0395 2662.1107 0.0000 0.0000 51729.0228 -110212.8549 297.2874 -161941.8777 -109852.1561 297.2986 -1.1302 30.4978 761015.0560 -20.3413 -20.3917 PRESSURE: 1210000 -98.1384 15.6958 301.605 15.6964 47.4263 -55.889 301.605 -55.8889 0.433904 GPRESSURE: 1210000 -176.283 -27.1669 288.813 78.4585 189.17 -0.0165411 293.991 -141.764 6.69565 PRESSAVG: 1210000 -15.9329 -39.7901 -22.1648 -39.7902 -27.161 -15.5302 -22.1647 -15.5302 5.68911 GPRESSAVG: 1210000 -15.7714 -40.1661 -23.0865 -39.7535 -26.9167 -14.7016 -24.0591 -16.5884 4.75266 TIMING: 1210000 CPU: 3812.52, 0.00315214/step Wall: 3812.52, 0.00315214/step, 3.31851 hours remaining, 240.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1210000 3952.8237 20463.9872 14365.7504 229.8169 -203321.1520 2348.1487 0.0000 0.0000 51750.4416 -110210.1835 297.4105 -161960.6250 -109855.3892 297.1463 -16.7594 6.5277 759846.8758 -12.4683 -12.6451 PRESSURE: 1210200 52.7342 15.7575 -6.42394 15.7581 -429.695 -191.488 -6.42298 -191.487 88.7797 GPRESSURE: 1210200 81.6534 -85.1161 -35.7138 67.0486 -366.05 -73.7253 -16.5177 -220.486 90.7578 PRESSAVG: 1210200 10.6597 -9.9077 72.4785 -9.90771 -35.1806 -31.4612 72.4785 -31.4612 -2.2532 GPRESSAVG: 1210200 9.4417 -11.2027 73.6567 -6.36837 -34.1539 -33.6425 73.6161 -30.3956 -1.78166 TIMING: 1210200 CPU: 3813.16, 0.00315259/step Wall: 3813.16, 0.00315259/step, 3.3188 hours remaining, 240.472656 MB of memory in use. ENERGY: 1210200 3958.0500 20311.4556 14357.8677 255.7584 -203927.6024 2778.1228 0.0000 0.0000 51962.6913 -110303.6567 298.6303 -162266.3480 -109939.3141 297.9558 -96.0603 -64.5464 760266.5955 -8.9247 -8.8313 PRESSURE: 1210400 -166.667 135.692 7.90988 135.692 16.1827 273.511 7.90985 273.511 142.39 GPRESSURE: 1210400 -60.783 167.238 -12.7305 75.689 -23.6732 252.739 -51.4557 90.8574 155.951 PRESSAVG: 1210400 -44.2627 -53.725 17.8844 -53.725 7.98787 -34.9325 17.8844 -34.9326 12.4498 GPRESSAVG: 1210400 -42.3929 -53.1452 19.0739 -57.0932 6.84525 -33.6531 17.5541 -36.8449 11.9594 TIMING: 1210400 CPU: 3813.79, 0.00316687/step Wall: 3813.79, 0.00316687/step, 3.33366 hours remaining, 240.472656 MB of memory in use. ENERGY: 1210400 3904.3261 20395.3034 14411.0657 242.2754 -203468.2961 2390.2030 0.0000 0.0000 51896.4271 -110228.6954 298.2495 -162125.1224 -109865.2181 297.8151 -2.6983 23.8317 759593.6322 -7.9417 -7.8628 PRESSURE: 1210600 -87.285 49.6903 60.8053 49.6899 -211.383 -111.27 60.8054 -111.271 -218.67 GPRESSURE: 1210600 -104.197 84.8404 103.764 62.0372 -207.077 -140.199 136.267 -161.358 -142.821 PRESSAVG: 1210600 11.3752 -65.1699 -5.64915 -65.17 10.0799 -31.6703 -5.64914 -31.6703 10.9228 GPRESSAVG: 1210600 10.5819 -64.0804 -7.80766 -65.8259 9.93717 -32.3132 -4.26865 -31.0725 11.8364 TIMING: 1210600 CPU: 3814.42, 0.00316181/step Wall: 3814.42, 0.00316181/step, 3.32816 hours remaining, 240.472656 MB of memory in use. ENERGY: 1210600 4003.4562 20378.0568 14412.0620 243.1872 -203605.2723 2577.9029 0.0000 0.0000 51768.9405 -110221.6667 297.5168 -161990.6072 -109866.5157 297.8262 -172.4460 -151.3653 759339.4874 10.7926 10.7851 PRESSURE: 1210800 -310.704 -217.974 -2.11262 -217.974 -234.113 152.113 -2.11352 152.113 -86.1824 GPRESSURE: 1210800 -311.399 -143.703 -101.272 -181.158 -157.945 18.9168 19.4024 57.0244 -111.098 PRESSAVG: 1210800 16.3742 -63.5742 23.9988 -63.5742 -29.7072 -14.2241 23.9988 -14.2241 9.03233 GPRESSAVG: 1210800 16.5705 -62.825 23.6485 -61.8594 -28.5645 -13.5234 23.5821 -14.2458 7.77493 TIMING: 1210800 CPU: 3815.05, 0.0031619/step Wall: 3815.05, 0.0031619/step, 3.32807 hours remaining, 240.472656 MB of memory in use. ENERGY: 1210800 3902.7266 20322.2227 14513.0489 239.6234 -203335.8794 2372.4616 0.0000 0.0000 51939.2281 -110046.5682 298.4955 -161985.7963 -109684.3181 298.1367 -210.3330 -193.4807 759988.0486 -1.4336 -1.4064 PRESSURE: 1211000 -361.963 -107.714 63.9227 -107.714 -19.422 -185.446 63.9224 -185.446 276.608 GPRESSURE: 1211000 -323.501 -137.716 113.374 -141.22 24.7021 -167.142 60.1319 -243.21 299.626 PRESSAVG: 1211000 -28.1122 -68.861 25.8557 -68.861 55.9022 -14.4756 25.8556 -14.4756 10.4185 GPRESSAVG: 1211000 -28.2022 -70.5868 26.4129 -68.3934 55.234 -14.8395 25.3719 -14.142 11.3074 TIMING: 1211000 CPU: 3815.68, 0.00315597/step Wall: 3815.68, 0.00315597/step, 3.32166 hours remaining, 240.472656 MB of memory in use. ENERGY: 1211000 3978.3516 20574.0173 14439.6535 241.7120 -203362.7179 2508.7191 0.0000 0.0000 51657.0125 -109963.2519 296.8736 -161620.2644 -109614.2299 298.0892 -34.9259 0.2757 759110.6884 12.7362 12.7797 PRESSURE: 1211200 627.829 -45.5371 363.023 -45.5371 -58.5955 75.8807 363.023 75.881 -320.611 GPRESSURE: 1211200 619.858 -22.7282 330.052 -5.37429 11.239 40.7001 218.46 135.176 -301.522 PRESSAVG: 1211200 31.471 -53.9476 13.6939 -53.9476 -25.6206 13.0986 13.6939 13.0985 -2.44938 GPRESSAVG: 1211200 30.9757 -51.4185 13.5493 -55.1808 -26.2941 13.0816 12.8837 13.1662 -1.52633 TIMING: 1211200 CPU: 3816.31, 0.00314462/step Wall: 3816.31, 0.00314462/step, 3.30954 hours remaining, 240.472656 MB of memory in use. ENERGY: 1211200 3941.1668 20580.5023 14425.2430 238.4139 -203590.0415 2578.8424 0.0000 0.0000 51908.9165 -109916.9565 298.3213 -161825.8730 -109547.7170 298.3824 82.8740 109.8581 759579.7948 1.1337 1.0518 PRESSURE: 1211400 -9.52996 -64.0841 280.876 -64.0845 96.555 309.964 280.876 309.964 39.4558 GPRESSURE: 1211400 88.7084 52.2662 238.807 -127.931 89.0334 291.902 363.946 418.239 25.5729 PRESSAVG: 1211400 31.1751 -21.57 48.2174 -21.57 -16.2106 23.1468 48.2175 23.1468 6.80532 GPRESSAVG: 1211400 31.3882 -22.95 47.9553 -22.1895 -15.1564 23.8828 48.3273 22.3712 5.84944 TIMING: 1211400 CPU: 3816.95, 0.0031639/step Wall: 3816.95, 0.0031639/step, 3.32965 hours remaining, 240.457031 MB of memory in use. ENERGY: 1211400 3941.2060 20467.8569 14411.9781 235.8883 -203604.0920 2622.7056 0.0000 0.0000 51829.7029 -110094.7542 297.8660 -161924.4571 -109735.5028 298.2485 42.1603 67.7715 761066.1188 7.2566 7.3604 PRESSURE: 1211600 -39.0757 53.548 -89.639 53.5477 -12.9874 -190.482 -89.6389 -190.482 109.041 GPRESSURE: 1211600 15.2723 81.0848 -106.469 97.6275 7.16536 -108.221 -31.3305 -227.825 141.291 PRESSAVG: 1211600 14.7779 -5.44306 28.2186 -5.44315 -61.05 3.39402 28.2186 3.39409 0.0030039 GPRESSAVG: 1211600 16.129 -5.31647 28.6048 -6.21592 -62.108 3.73448 30.3982 3.47123 -0.106988 TIMING: 1211600 CPU: 3817.58, 0.00315249/step Wall: 3817.58, 0.00315249/step, 3.31747 hours remaining, 240.457031 MB of memory in use. ENERGY: 1211600 3957.0335 20591.6334 14372.0191 252.1827 -203998.2952 2853.3680 0.0000 0.0000 52010.1568 -109961.9016 298.9031 -161972.0584 -109600.1611 298.4567 18.9925 54.5761 760352.4895 -15.4230 -15.3620 PRESSURE: 1211800 -129.232 -193.746 -84.5873 -193.745 -320.362 54.357 -84.5872 54.3565 -254.547 GPRESSURE: 1211800 -115.567 -98.976 -149.468 -132.968 -214.901 12.1393 33.2944 75.4888 -305.207 PRESSAVG: 1211800 27.2333 13.7731 -31.997 13.7731 1.51542 -29.2115 -31.997 -29.2115 4.455 GPRESSAVG: 1211800 27.1495 13.7127 -32.2481 14.6461 1.39691 -29.9386 -31.5782 -28.5998 4.49717 TIMING: 1211800 CPU: 3818.21, 0.00314698/step Wall: 3818.21, 0.00314698/step, 3.3115 hours remaining, 240.472656 MB of memory in use. ENERGY: 1211800 4057.4782 20438.5477 14491.9554 279.3230 -203422.8308 2412.0583 0.0000 0.0000 51714.7395 -110028.7285 297.2053 -161743.4680 -109667.7719 298.5734 -234.7134 -211.8915 760707.7494 11.0679 11.0145 PRESSURE: 1212000 17.3538 -249.993 212.898 -249.993 311.883 -62.1359 212.898 -62.135 259.56 GPRESSURE: 1212000 33.2724 -314.418 165.048 -251.406 354.293 -74.4989 107.888 17.7024 287.309 PRESSAVG: 1212000 12.5659 -36.6093 -31.2406 -36.6094 28.3282 36.0704 -31.2406 36.0705 -10.8998 GPRESSAVG: 1212000 11.0358 -38.9821 -30.9007 -35.79 29.1223 37.5088 -32.1147 34.526 -10.375 TIMING: 1212000 CPU: 3818.84, 0.00316609/step Wall: 3818.84, 0.00316609/step, 3.33143 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1212000 3959.2006 20492.4258 14444.5663 244.5570 -203819.1152 2771.9353 0.0000 0.0000 52099.6681 -109806.7620 299.4175 -161906.4301 -109441.8955 298.2533 196.2657 224.9579 761455.7826 9.9981 9.9277 PRESSURE: 1212200 -105.579 167.168 138.741 167.168 -189.948 120.121 138.74 120.122 185.273 GPRESSURE: 1212200 2.40202 289.876 97.6454 137.225 -165.137 250.592 107.941 189.773 142.056 PRESSAVG: 1212200 65.6891 -26.7866 -48.3045 -26.7866 -72.4745 19.6613 -48.3045 19.6614 -6.54338 GPRESSAVG: 1212200 66.3268 -25.1115 -48.3039 -28.0995 -72.2173 18.5412 -49.169 21.9873 -7.4644 TIMING: 1212200 CPU: 3819.47, 0.00315497/step Wall: 3819.47, 0.00315497/step, 3.31956 hours remaining, 240.472656 MB of memory in use. ENERGY: 1212200 4003.1471 20426.3749 14494.4896 249.1331 -203558.6099 2674.9377 0.0000 0.0000 51757.2015 -109953.3259 297.4493 -161710.5274 -109583.9764 298.6072 -36.7512 -6.8927 760859.0496 -4.4430 -4.4516 LDB: ============= START OF LOAD BALANCING ============== 3831.87 LDB: ============== END OF LOAD BALANCING =============== 3831.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3831.87 LDB: ============= START OF LOAD BALANCING ============== 3832.18 LDB: Largest compute 7067 load 0.033221 is 16.9% of average load 0.196048 LDB: Average compute 0.004367 is 2.2% of average load 0.196048 LDB: TIME 3832.19 LOAD: AVG 0.196048 MAX 0.215526 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.312 MB LDB: TIME 3832.19 LOAD: AVG 0.196048 MAX 0.215526 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.445 MB LDB: TIME 3832.19 LOAD: AVG 0.196048 MAX 0.215526 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.445 MB LDB: ============== END OF LOAD BALANCING =============== 3832.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3832.19 PRESSURE: 1212400 -244.308 -163.494 -177.825 -163.494 42.2258 63.5684 -177.825 63.5681 -374.238 GPRESSURE: 1212400 -91.1325 -125.165 -163.632 -32.5048 -6.34436 35.2335 -40.2797 -10.1946 -371.039 PRESSAVG: 1212400 35.5014 -41.196 -6.37902 -41.196 -21.9083 3.20039 -6.37898 3.20036 -10.1797 GPRESSAVG: 1212400 35.8618 -40.2429 -5.41586 -41.3182 -23.6301 2.36373 -6.27191 3.6146 -8.88543 TIMING: 1212400 CPU: 3820.11, 0.0032007/step Wall: 3820.11, 0.0032007/step, 3.3675 hours remaining, 236.394531 MB of memory in use. ENERGY: 1212400 3977.1853 20551.5632 14443.5217 234.4646 -203846.7145 2789.4970 0.0000 0.0000 52078.2325 -109772.2502 299.2943 -161850.4827 -109416.0499 298.3292 -192.1065 -156.1721 761748.9398 1.1378 1.1154 PRESSURE: 1212600 78.5895 16.1772 -71.3375 16.1766 53.4756 179.138 -71.3373 179.138 162.59 GPRESSURE: 1212600 140.519 -69.9663 -75.5222 65.4205 90.6555 302.752 -39.367 93.0431 171.555 PRESSAVG: 1212600 -23.5061 -19.4703 -2.8819 -19.4704 2.26081 29.5131 -2.88192 29.5131 -8.4664 GPRESSAVG: 1212600 -22.9208 -20.7732 -3.05783 -18.2198 3.24204 30.3242 -2.48228 29.2201 -10.1537 TIMING: 1212600 CPU: 3820.74, 0.0031535/step Wall: 3820.74, 0.0031535/step, 3.31765 hours remaining, 236.394531 MB of memory in use. ENERGY: 1212600 3942.1434 20522.8485 14407.9463 231.8641 -204151.2127 2956.2233 0.0000 0.0000 51913.6079 -110176.5792 298.3482 -162090.1871 -109819.9074 298.6530 98.2184 134.2430 760784.1559 -9.9039 -9.9441 PRESSURE: 1212800 -313.907 -222.792 -24.631 -222.792 -201.711 22.5286 -24.6316 22.5293 -7.79103 GPRESSURE: 1212800 -250.35 -191.289 -39.7439 -93.7744 -157.671 29.3923 -55.9587 -27.0714 -33.6864 PRESSAVG: 1212800 -12.0923 -4.16895 -18.9427 -4.16901 -14.1129 73.805 -18.9427 73.8049 -2.48358 GPRESSAVG: 1212800 -12.4264 -4.55895 -18.4581 -3.11289 -14.5917 73.0273 -19.4978 73.938 -1.76015 TIMING: 1212800 CPU: 3821.37, 0.00315026/step Wall: 3821.37, 0.00315026/step, 3.31407 hours remaining, 236.394531 MB of memory in use. ENERGY: 1212800 3968.4644 20600.2585 14459.2915 258.6514 -203642.1417 2411.0040 0.0000 0.0000 51935.1596 -110009.3122 298.4721 -161944.4718 -109658.7761 298.3120 -174.4697 -147.2360 761516.8419 -9.5629 -9.5927 PRESSURE: 1213000 217.067 -166.986 -78.9103 -166.986 134.303 4.01238 -78.9109 4.01151 202.382 GPRESSURE: 1213000 355.773 -154.745 -67.9047 -169.517 161.005 -24.2715 -11.823 -9.92131 119.333 PRESSAVG: 1213000 21.5439 -33.1472 -30.0532 -33.1472 -46.1629 68.6444 -30.0532 68.6443 18.7638 GPRESSAVG: 1213000 22.0289 -32.389 -30.5471 -34.28 -45.5275 68.688 -30.1833 70.6662 17.5506 TIMING: 1213000 CPU: 3822, 0.00314193/step Wall: 3822, 0.00314193/step, 3.30514 hours remaining, 236.394531 MB of memory in use. ENERGY: 1213000 3910.5984 20300.5649 14396.5267 243.3237 -203467.1874 2570.9622 0.0000 0.0000 52101.3354 -109943.8761 299.4271 -162045.2114 -109577.7326 298.0490 184.5842 212.0370 760650.1897 -1.9517 -1.9826 PRESSURE: 1213200 29.1079 58.9679 -181.91 58.9682 -56.2133 17.954 -181.91 17.9534 -110.503 GPRESSURE: 1213200 55.7782 33.5266 -194.159 124.354 -38.0708 14.688 -139.442 -119.903 -65.3287 PRESSAVG: 1213200 24.3847 -13.1876 -1.98192 -13.1877 -6.05705 -16.863 -1.98182 -16.8629 -1.74751 GPRESSAVG: 1213200 22.8714 -13.6473 -1.44887 -12.6058 -6.66536 -16.7983 -2.87741 -18.1438 -0.406757 TIMING: 1213200 CPU: 3822.63, 0.00315227/step Wall: 3822.63, 0.00315227/step, 3.31584 hours remaining, 236.394531 MB of memory in use. ENERGY: 1213200 4009.4699 20443.3206 14499.0119 263.9452 -203737.7085 2709.8012 0.0000 0.0000 51905.3352 -109906.8244 298.3007 -161812.1596 -109547.4664 298.9122 -45.8695 -15.8738 760296.0371 5.5267 5.2664 PRESSURE: 1213400 254.587 97.1908 135.767 97.1908 -273.983 -131.469 135.767 -131.47 206.085 GPRESSURE: 1213400 368.118 101.861 168.95 57.4565 -209.227 -199.775 -45.1319 -187.606 133.704 PRESSAVG: 1213400 51.7029 -11.3696 1.01617 -11.3696 -21.8459 -31.8858 1.01615 -31.8858 4.87479 GPRESSAVG: 1213400 52.3118 -12.6018 -0.236052 -10.3123 -22.2522 -29.488 1.69531 -35.4805 4.57608 TIMING: 1213400 CPU: 3823.26, 0.00315536/step Wall: 3823.26, 0.00315536/step, 3.31891 hours remaining, 236.394531 MB of memory in use. ENERGY: 1213400 3912.3720 20462.6271 14418.6258 261.1139 -203824.1720 2751.9977 0.0000 0.0000 52173.1358 -109844.2997 299.8397 -162017.4355 -109484.9449 298.4996 62.2297 97.5317 761737.3381 11.5773 11.5452 PRESSURE: 1213600 65.9425 -97.7437 95.7741 -97.7446 762.161 -23.1958 95.773 -23.196 234.838 GPRESSURE: 1213600 179.343 -141.156 46.7518 -77.1356 700.831 -54.6381 126.954 -4.8521 284.87 PRESSAVG: 1213600 1.74195 -74.6506 10.5645 -74.6505 -49.0629 32.3232 10.5644 32.3232 -21.5628 GPRESSAVG: 1213600 1.89822 -73.0879 12.0929 -77.0218 -48.963 32.4934 11.2006 34.2107 -22.0725 TIMING: 1213600 CPU: 3823.89, 0.00313839/step Wall: 3823.89, 0.00313839/step, 3.30089 hours remaining, 236.394531 MB of memory in use. ENERGY: 1213600 3998.1558 20351.8295 14421.3904 257.8770 -204052.1443 2977.8542 0.0000 0.0000 52008.6862 -110036.3513 298.8946 -162045.0375 -109669.9426 298.2961 354.3139 388.3482 758592.6040 -22.9612 -23.0458 PRESSURE: 1213800 -245.35 -82.3413 -258.191 -82.3423 55.8723 3.45421 -258.192 3.455 48.747 GPRESSURE: 1213800 -228.543 -137.523 -345.372 -155.108 85.6118 -4.02935 -291.691 -103.702 74.6123 PRESSAVG: 1213800 30.7429 -66.2085 -20.8349 -66.2085 -21.4671 3.25723 -20.8349 3.2573 24.8424 GPRESSAVG: 1213800 30.016 -69.8915 -20.9795 -62.4349 -20.8001 0.665885 -22.0009 3.1579 25.4625 TIMING: 1213800 CPU: 3824.52, 0.00314294/step Wall: 3824.52, 0.00314294/step, 3.3055 hours remaining, 236.394531 MB of memory in use. ENERGY: 1213800 3982.1753 20369.6819 14372.4874 241.7687 -203148.3227 2436.6117 0.0000 0.0000 51764.9810 -109980.6168 297.4941 -161745.5978 -109617.8176 297.8827 -46.9104 -22.7730 761910.5653 11.3727 11.5594 PRESSURE: 1214000 13.8137 43.4674 -289.639 43.4673 63.9885 160 -289.638 160.001 -199.828 GPRESSURE: 1214000 -31.3262 36.7641 -260.465 14.2745 98.7361 46.4584 -338.593 134.375 -123.029 PRESSAVG: 1214000 13.79 -15.7613 -25.9775 -15.7613 -5.67252 -1.27598 -25.9775 -1.27597 -2.65797 GPRESSAVG: 1214000 12.4398 -13.2148 -26.222 -19.4398 -4.31532 -0.513107 -24.4983 -2.65802 -2.69421 TIMING: 1214000 CPU: 3825.15, 0.00316552/step Wall: 3825.15, 0.00316552/step, 3.32907 hours remaining, 236.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1214000 4058.5104 20413.0133 14382.5781 243.5625 -203384.6316 2557.9394 0.0000 0.0000 51608.9922 -110120.0357 296.5976 -161729.0279 -109760.1182 297.6362 -40.6753 -18.5398 761207.8239 1.8199 1.8101 PRESSURE: 1214200 -303.207 -9.70258 -117.499 -9.70265 -374.365 -381.925 -117.499 -381.925 -136.11 GPRESSURE: 1214200 -57.1593 -12.6951 -44.2719 -149.581 -423.2 -354.754 -150.645 -450.479 -215.368 PRESSAVG: 1214200 76.1468 -61.763 -35.781 -61.763 -56.4719 -28.5193 -35.781 -28.5193 21.2304 GPRESSAVG: 1214200 79.476 -60.8914 -36.4926 -62.2133 -59.3407 -29.0039 -36.8364 -27.7789 20.3973 TIMING: 1214200 CPU: 3825.78, 0.0031691/step Wall: 3825.78, 0.0031691/step, 3.33266 hours remaining, 236.394531 MB of memory in use. ENERGY: 1214200 4047.2930 20529.4597 14335.9539 246.7501 -203393.6839 2525.9002 0.0000 0.0000 51847.5025 -109860.8244 297.9683 -161708.3269 -109495.1648 298.2512 -271.2276 -231.9089 763341.8889 13.6351 13.5109 PRESSURE: 1214400 44.1745 -194.271 12.7299 -194.269 -124.188 -94.9731 12.7286 -94.9725 -101.499 GPRESSURE: 1214400 24.3783 -180.96 -27.8929 -235.232 -50.1179 -159.508 136.179 -12.6611 -89.7108 PRESSAVG: 1214400 79.5856 -24.8871 -18.9006 -24.8871 -37.9219 -69.5002 -18.9006 -69.5001 2.73003 GPRESSAVG: 1214400 77.8368 -24.8092 -18.0814 -24.0052 -36.7342 -69.0585 -18.4444 -69.4285 3.33313 TIMING: 1214400 CPU: 3826.41, 0.00315166/step Wall: 3826.41, 0.00315166/step, 3.31414 hours remaining, 236.394531 MB of memory in use. ENERGY: 1214400 4002.6992 20530.2365 14438.0591 237.7776 -203512.4001 2465.8951 0.0000 0.0000 51936.1427 -109901.5898 298.4777 -161837.7325 -109545.9886 298.1322 -60.5043 -38.4835 762238.9108 14.7979 14.8119 PRESSURE: 1214600 473.095 76.3282 -36.3227 76.3286 -33.1413 -121.553 -36.3224 -121.554 -200.552 GPRESSURE: 1214600 433.452 95.523 -74.3451 74.8438 38.8175 -179.241 -74.0618 -167.59 -136.032 PRESSAVG: 1214600 81.9591 6.72836 22.2279 6.72844 -62.9769 -14.3756 22.2279 -14.3757 7.20873 GPRESSAVG: 1214600 82.6161 5.64152 21.7092 8.33592 -63.0003 -13.1736 23.5366 -12.7289 6.91309 TIMING: 1214600 CPU: 3827.05, 0.00315315/step Wall: 3827.05, 0.00315315/step, 3.31553 hours remaining, 236.394531 MB of memory in use. ENERGY: 1214600 3970.1363 20464.9675 14409.0923 242.4389 -203615.8263 2771.4602 0.0000 0.0000 52039.5780 -109718.1531 299.0722 -161757.7311 -109361.7939 298.4852 79.8007 112.0794 760588.6524 8.7303 8.8430 PRESSURE: 1214800 91.2868 -280.644 -207.475 -280.643 15.3309 -45.2785 -207.475 -45.2782 -36.4535 GPRESSURE: 1214800 107.141 -208.797 -88.9072 -169.124 59.4789 -92.9573 -158.16 24.0841 -11.3914 PRESSAVG: 1214800 -2.382 -33.6401 -32.4824 -33.64 -22.0687 -46.859 -32.4823 -46.859 2.85419 GPRESSAVG: 1214800 -2.36948 -31.5714 -30.9574 -32.6669 -21.4717 -48.1627 -34.1367 -47.7287 2.34182 TIMING: 1214800 CPU: 3827.68, 0.00315891/step Wall: 3827.68, 0.00315891/step, 3.32142 hours remaining, 236.394531 MB of memory in use. ENERGY: 1214800 4020.2237 20636.8502 14360.5230 228.7579 -204013.3442 2839.2606 0.0000 0.0000 52032.6135 -109895.1153 299.0321 -161927.7287 -109536.7855 298.7285 23.3881 51.7430 760679.8321 -7.1988 -7.1665 PRESSURE: 1215000 -55.9367 -146.669 -278.095 -146.668 33.1153 -89.0636 -278.095 -89.0636 -221.49 GPRESSURE: 1215000 -23.5868 -43.6064 -283.225 -319.795 17.7378 -75.9807 -318.878 -118.881 -166.924 PRESSAVG: 1215000 50.5 -38.0438 -8.75859 -38.0438 -18.3815 -11.9825 -8.75864 -11.9825 1.91823 GPRESSAVG: 1215000 52.1221 -41.7791 -10.8458 -38.7914 -18.5528 -11.3193 -8.89272 -11.5442 1.27809 TIMING: 1215000 CPU: 3828.31, 0.00315078/step Wall: 3828.31, 0.00315078/step, 3.3127 hours remaining, 236.394531 MB of memory in use. ENERGY: 1215000 3989.6607 20489.3903 14426.5633 247.8022 -203625.8472 2537.4813 0.0000 0.0000 52198.9377 -109736.0117 299.9880 -161934.9494 -109377.0626 298.6436 -81.4371 -57.5911 760623.8182 11.3456 11.6158 PRESSURE: 1215200 177.869 -105.654 236.06 -105.655 212.162 -31.0413 236.061 -31.0392 270.363 GPRESSURE: 1215200 198.751 -116.418 242.432 -96.1014 264.316 -21.0193 255.473 18.535 267.114 PRESSAVG: 1215200 80.3198 -24.844 32.0349 -24.844 -56.6252 -26.9159 32.0349 -26.9159 6.58297 GPRESSAVG: 1215200 80.4663 -20.0591 32.6251 -27.1819 -57.7543 -28.5007 35.2591 -28.0726 7.20053 TIMING: 1215200 CPU: 3828.94, 0.00315253/step Wall: 3828.94, 0.00315253/step, 3.31436 hours remaining, 236.394531 MB of memory in use. ENERGY: 1215200 3930.5617 20412.9739 14403.1325 256.0498 -203505.8112 2736.4824 0.0000 0.0000 51863.0243 -109903.5867 298.0575 -161766.6109 -109549.2411 298.6501 220.1316 243.3934 762591.8703 10.0925 9.9709 PRESSURE: 1215400 -238.064 148.392 -116.789 148.391 -155.214 194.465 -116.789 194.464 2.00157 GPRESSURE: 1215400 -162.497 97.3448 6.20318 104.611 -222.886 237.336 -222.659 141.136 85.2231 PRESSAVG: 1215400 39.0091 -21.6075 -14.9661 -21.6075 -40.0133 -38.1101 -14.9661 -38.11 -7.37967 GPRESSAVG: 1215400 37.0348 -24.7526 -15.2271 -21.7675 -38.8452 -35.0908 -16.5995 -38.0397 -6.57014 TIMING: 1215400 CPU: 3829.57, 0.00316435/step Wall: 3829.57, 0.00316435/step, 3.32661 hours remaining, 236.394531 MB of memory in use. ENERGY: 1215400 3999.5537 20413.5109 14398.5428 268.7453 -203242.7707 2431.9409 0.0000 0.0000 52110.5788 -109619.8982 299.4802 -161730.4770 -109262.1074 298.2278 -130.4257 -100.0534 763183.5709 -2.7946 -2.7935 PRESSURE: 1215600 -387.783 130.152 9.52821 130.152 -37.2681 9.98321 9.52806 9.98249 246.996 GPRESSURE: 1215600 -403.615 112.645 -38.117 195.522 24.73 12.1653 -34.5402 55.8098 299.337 PRESSAVG: 1215600 10.8149 -10.1415 -25.5304 -10.1415 -0.41556 -17.7371 -25.5304 -17.7371 23.2725 GPRESSAVG: 1215600 11.7338 -9.4125 -25.756 -7.47441 -0.314001 -19.5398 -26.5043 -16.155 22.2043 TIMING: 1215600 CPU: 3830.2, 0.00316405/step Wall: 3830.2, 0.00316405/step, 3.32612 hours remaining, 236.394531 MB of memory in use. ENERGY: 1215600 4003.2078 20358.4090 14387.5137 241.4669 -202875.0197 2270.3189 0.0000 0.0000 51998.0082 -109616.0952 298.8333 -161614.1034 -109240.6014 298.9896 -59.3518 -26.5161 764418.8964 11.2240 11.2080 PRESSURE: 1215800 16.0754 53.3922 124.974 53.3906 -179.242 157.442 124.973 157.441 -340.897 GPRESSURE: 1215800 47.6604 56.5613 101.694 -22.1239 -162.369 140.169 224.636 90.1581 -317.522 PRESSAVG: 1215800 12.4222 27.8806 -49.7323 27.8806 -30.0288 10.5357 -49.7323 10.5358 8.16525 GPRESSAVG: 1215800 11.7816 26.4816 -49.3327 26.8593 -30.1868 10.6273 -48.8158 9.1222 8.79605 TIMING: 1215800 CPU: 3830.83, 0.00315436/step Wall: 3830.83, 0.00315436/step, 3.31575 hours remaining, 236.394531 MB of memory in use. ENERGY: 1215800 3998.5519 20431.3678 14332.6754 254.1219 -203054.5026 2397.8676 0.0000 0.0000 51993.5214 -109646.3966 298.8075 -161639.9179 -109281.9638 298.6580 -168.0212 -144.0768 762960.9159 -3.1471 -3.2030 PRESSURE: 1216000 150.917 204.181 -106.478 204.18 -81.3613 34.4725 -106.479 34.4719 6.73738 GPRESSURE: 1216000 204.102 104.89 -137.612 90.3164 -107.91 16.731 -71.127 -14.0973 48.6352 PRESSAVG: 1216000 19.1479 -10.1565 26.0881 -10.1564 -43.6994 -23.9409 26.0882 -23.9409 -29.811 GPRESSAVG: 1216000 20.3524 -10.0323 26.9677 -11.2642 -44.593 -24.1068 25.3446 -23.0201 -29.7589 TIMING: 1216000 CPU: 3831.47, 0.00315942/step Wall: 3831.47, 0.00315942/step, 3.3209 hours remaining, 236.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1216000 3919.4737 20490.1827 14388.7980 232.5507 -203437.9047 2538.0866 0.0000 0.0000 52229.2400 -109639.5730 300.1622 -161868.8130 -109274.7440 298.7957 25.4309 48.2758 763213.5646 -18.1208 -17.9998 PRESSURE: 1216200 -3.51683 -31.1995 240.664 -31.1987 -235.77 -42.0809 240.664 -42.0805 10.497 GPRESSURE: 1216200 -3.90471 -17.9193 299.909 -119.221 -220.16 -18.564 259.653 -0.369717 70.1897 PRESSAVG: 1216200 16.7113 -5.93687 -13.3728 -5.93692 8.28772 -9.43902 -13.3728 -9.43901 12.4496 GPRESSAVG: 1216200 16.8009 -6.13143 -12.7757 -5.14016 8.86417 -9.70837 -13.3446 -9.37089 11.9703 TIMING: 1216200 CPU: 3832.1, 0.00316392/step Wall: 3832.1, 0.00316392/step, 3.32546 hours remaining, 236.394531 MB of memory in use. ENERGY: 1216200 4090.4667 20480.1098 14408.7855 261.9309 -203628.0007 2608.3404 0.0000 0.0000 52025.2043 -109753.1630 298.9896 -161778.3673 -109393.2417 298.7721 -76.2632 -51.2917 761605.5292 12.4829 12.5451 LDB: ============= START OF LOAD BALANCING ============== 3844.5 LDB: ============== END OF LOAD BALANCING =============== 3844.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3844.5 LDB: ============= START OF LOAD BALANCING ============== 3844.82 LDB: Largest compute 7026 load 0.033196 is 16.9% of average load 0.196048 LDB: Average compute 0.004363 is 2.2% of average load 0.196048 LDB: TIME 3844.82 LOAD: AVG 0.196048 MAX 0.213309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.707 MB LDB: TIME 3844.82 LOAD: AVG 0.196048 MAX 0.213309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.801 MB LDB: TIME 3844.82 LOAD: AVG 0.196048 MAX 0.213309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.801 MB LDB: ============== END OF LOAD BALANCING =============== 3844.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3844.83 PRESSURE: 1216400 136.951 88.1488 -101.176 88.1499 133.53 -220.158 -101.177 -220.159 -112.382 GPRESSURE: 1216400 216.52 155.563 -86.848 140.715 114.948 -252.432 -147.532 -77.0955 -104.2 PRESSAVG: 1216400 -13.2756 -2.27188 24.6885 -2.27183 36.7293 27.7542 24.6884 27.7542 6.88436 GPRESSAVG: 1216400 -13.5428 -0.495916 24.2862 -4.11142 36.649 27.897 25.2071 27.8986 6.9805 TIMING: 1216400 CPU: 3832.75, 0.00323139/step Wall: 3832.75, 0.00323139/step, 3.3962 hours remaining, 238.398438 MB of memory in use. ENERGY: 1216400 3995.9363 20409.7038 14432.4077 234.0309 -203520.9248 2460.9346 0.0000 0.0000 52107.7802 -109880.1313 299.4641 -161987.9115 -109518.5323 298.6765 52.6997 75.7560 759355.1065 10.1127 10.0289 PRESSURE: 1216600 -258.208 17.5128 -16.1618 17.5135 184.33 59.9947 -16.1615 59.9941 -67.4653 GPRESSURE: 1216600 -141.671 -36.0126 -79.5651 8.95747 95.8384 55.0691 143.472 36.8662 -0.957715 PRESSAVG: 1216600 17.2184 -26.7936 14.9648 -26.7937 -30.055 1.23567 14.9649 1.23568 -14.2049 GPRESSAVG: 1216600 17.1599 -27.2414 12.498 -26.2893 -30.9905 0.349254 15.0107 3.03356 -14.0492 TIMING: 1216600 CPU: 3833.38, 0.0031526/step Wall: 3833.38, 0.0031526/step, 3.31321 hours remaining, 238.601562 MB of memory in use. ENERGY: 1216600 4067.9468 20453.5326 14428.7524 230.0599 -203041.6894 2280.6983 0.0000 0.0000 52027.8673 -109552.8322 299.0049 -161580.6994 -109199.3858 298.4201 -47.1145 -15.5968 761093.2692 -9.0138 -9.2933 PRESSURE: 1216800 -56.0162 -32.452 -337.758 -32.4523 152.963 55.446 -337.758 55.4455 172.819 GPRESSURE: 1216800 57.6142 -4.02066 -274.261 -39.2964 126.257 14.5017 -304.259 54.2357 193.213 PRESSAVG: 1216800 16.355 -15.1013 -23.2338 -15.1012 -26.5713 -6.30347 -23.2338 -6.30343 -4.293 GPRESSAVG: 1216800 16.2441 -16.9521 -21.884 -13.5135 -25.3579 -4.51554 -23.7214 -8.35335 -5.49065 TIMING: 1216800 CPU: 3834, 0.00313067/step Wall: 3834, 0.00313067/step, 3.28999 hours remaining, 238.601562 MB of memory in use. ENERGY: 1216800 4144.5662 20404.5504 14313.3870 246.9690 -203177.8394 2542.8576 0.0000 0.0000 52052.7186 -109472.7904 299.1477 -161525.5091 -109097.5665 299.4398 89.9218 125.6949 760699.2046 -4.8364 -4.8681 PRESSURE: 1217000 -414.088 -16.1773 26.6055 -16.1771 10.8154 187.421 26.6057 187.422 -306.134 GPRESSURE: 1217000 -326.077 -5.37396 -51.5444 64.3766 -21.7568 200.036 37.2395 258.95 -268.331 PRESSAVG: 1217000 37.6395 6.80037 -49.8607 6.80039 -14.1122 -11.6507 -49.8607 -11.6506 20.4013 GPRESSAVG: 1217000 36.0542 7.57502 -50.1292 6.85279 -14.3406 -11.0677 -49.2676 -12.061 22.0817 TIMING: 1217000 CPU: 3834.63, 0.00314675/step Wall: 3834.63, 0.00314675/step, 3.30671 hours remaining, 238.601562 MB of memory in use. ENERGY: 1217000 4007.2940 20588.4262 14393.8861 239.5718 -203281.9232 2509.7417 0.0000 0.0000 52164.5953 -109378.4080 299.7906 -161543.0033 -109020.9671 299.2966 -236.4687 -205.3880 762065.0071 14.6428 14.5985 PRESSURE: 1217200 45.379 -39.4816 155.034 -39.4819 10.7528 40.0323 155.033 40.0315 -573.711 GPRESSURE: 1217200 50.7317 -79.4253 130.586 -14.8437 41.8941 38.6163 15.3905 -112.06 -532.951 PRESSAVG: 1217200 19.8939 -3.56582 -0.480226 -3.56583 -15.8543 -29.2673 -0.480185 -29.2673 -9.4597 GPRESSAVG: 1217200 20.2998 -1.79523 -1.14612 -5.29326 -15.3138 -31.4168 -0.500516 -30.0517 -10.6947 TIMING: 1217200 CPU: 3835.26, 0.00314667/step Wall: 3835.26, 0.00314667/step, 3.30645 hours remaining, 238.601562 MB of memory in use. ENERGY: 1217200 4017.1051 20488.0422 14400.0457 280.1007 -202828.8652 2397.7091 0.0000 0.0000 52042.4671 -109203.3954 299.0888 -161245.8625 -108841.6888 299.8489 -172.5265 -146.7750 761560.4930 -1.8067 -1.9029 PRESSURE: 1217400 278.993 -148.748 -232.551 -148.749 235.145 93.1654 -232.551 93.1659 102.709 GPRESSURE: 1217400 455.768 -143.638 -226.852 -212.728 86.173 16.6926 -112.712 47.1316 153.874 PRESSAVG: 1217400 -37.2978 -21.6146 41.3073 -21.6146 22.9674 -43.0816 41.3073 -43.0817 -26.6945 GPRESSAVG: 1217400 -34.6376 -22.6541 42.7362 -21.4662 21.4261 -41.5064 40.7205 -41.5581 -26.917 TIMING: 1217400 CPU: 3835.89, 0.00315553/step Wall: 3835.89, 0.00315553/step, 3.31558 hours remaining, 238.601562 MB of memory in use. ENERGY: 1217400 3958.0976 20520.6183 14372.6511 217.4485 -203706.8883 3166.6060 0.0000 0.0000 52258.5443 -109212.9226 300.3306 -161471.4669 -108855.3918 299.8299 205.6159 231.9381 760678.3929 -13.6750 -13.3762 PRESSURE: 1217600 40.2422 66.5912 -88.2013 66.591 -64.73 -152.87 -88.2012 -152.87 -149.632 GPRESSURE: 1217600 68.691 -9.60236 -111.164 41.4723 -8.5532 -108.18 -63.6736 -50.2582 -154.604 PRESSAVG: 1217600 11.5647 21.6546 2.12487 21.6547 26.9874 -15.028 2.12487 -15.028 -0.495902 GPRESSAVG: 1217600 9.36232 22.3988 1.54931 21.8159 28.3768 -14.6419 2.86165 -16.1777 0.451722 TIMING: 1217600 CPU: 3836.52, 0.00316574/step Wall: 3836.52, 0.00316574/step, 3.32614 hours remaining, 238.601562 MB of memory in use. ENERGY: 1217600 3938.3629 20608.8779 14372.7699 252.6640 -203022.3241 2283.0141 0.0000 0.0000 52133.2042 -109433.4311 299.6102 -161566.6353 -109075.0988 299.6046 -58.0400 -31.4887 761172.8248 12.6854 12.7303 PRESSURE: 1217800 -201.668 63.7356 4.45261 63.7348 -553.311 -271.61 4.45258 -271.61 -2.35517 GPRESSURE: 1217800 -259.05 76.9767 -20.2513 -27.027 -382.486 -250.674 -51.9215 -148.923 -22.2646 PRESSAVG: 1217800 19.0686 18.1579 37.4653 18.1578 -7.04319 -15.1823 37.4654 -15.1823 -4.85759 GPRESSAVG: 1217800 18.3383 17.0661 38.6176 18.7866 -6.057 -14.4229 35.6009 -15.4726 -5.45535 TIMING: 1217800 CPU: 3837.15, 0.0031437/step Wall: 3837.15, 0.0031437/step, 3.3028 hours remaining, 238.601562 MB of memory in use. ENERGY: 1217800 4052.5944 20454.0705 14310.7175 223.8205 -202432.7953 2126.0087 0.0000 0.0000 51856.3933 -109409.1905 298.0194 -161265.5837 -109051.7586 299.2749 -252.4446 -221.2669 761920.4462 2.3893 2.2753 PRESSURE: 1218000 239.045 97.2672 -11.8891 97.2671 -194.788 -62.874 -11.8882 -62.8756 435.008 GPRESSURE: 1218000 239.295 -25.4876 53.0908 217.705 -127.013 -60.8924 -57.8856 -66.2484 422.163 PRESSAVG: 1218000 4.7369 -1.16285 -24.986 -1.16288 -58.5622 -62.0339 -24.986 -62.0338 10.9867 GPRESSAVG: 1218000 4.67447 -2.16172 -24.7848 -0.622894 -58.6415 -63.8695 -24.5748 -61.1755 10.9404 TIMING: 1218000 CPU: 3837.79, 0.00317631/step Wall: 3837.79, 0.00317631/step, 3.33689 hours remaining, 238.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1218000 3960.0968 20478.2858 14378.5342 254.3025 -203355.0738 2619.1642 0.0000 0.0000 52151.2622 -109513.4282 299.7140 -161664.6903 -109151.5007 298.9961 159.7551 178.1483 761593.8768 -14.2796 -14.3422 PRESSURE: 1218200 -193.195 -119.93 26.0639 -119.93 -192.626 123.308 26.0636 123.309 246.288 GPRESSURE: 1218200 -123.091 -55.5787 35.104 -157.637 -180.504 50.7562 -144.42 106.961 236.873 PRESSAVG: 1218200 -16.9489 27.704 31.9385 27.7041 30.9615 -11.2138 31.9385 -11.2138 -26.1825 GPRESSAVG: 1218200 -15.6905 29.3471 31.0771 26.9032 30.7229 -11.8059 32.8389 -13.6272 -26.9699 TIMING: 1218200 CPU: 3838.42, 0.00317665/step Wall: 3838.42, 0.00317665/step, 3.33707 hours remaining, 238.601562 MB of memory in use. ENERGY: 1218200 3959.3463 20520.5594 14369.6621 228.7405 -203240.7086 2683.3895 0.0000 0.0000 52053.4837 -109425.5271 299.1521 -161479.0109 -109073.4512 298.9536 -46.5110 -22.2406 761855.0875 -4.0566 -3.9792 PRESSURE: 1218400 -121.739 -141.007 -4.87165 -141.006 36.7339 124.126 -4.87126 124.126 347.545 GPRESSURE: 1218400 -32.6625 -91.1299 51.2552 -8.97347 28.7829 117.144 56.1104 72.7868 359.437 PRESSAVG: 1218400 43.279 60.9022 10.9321 60.9023 6.59064 0.591459 10.9321 0.591474 23.1804 GPRESSAVG: 1218400 41.7117 60.716 11.5261 60.883 7.70025 1.10245 10.5978 1.34825 23.6471 TIMING: 1218400 CPU: 3839.06, 0.00316811/step Wall: 3839.06, 0.00316811/step, 3.32792 hours remaining, 238.601562 MB of memory in use. ENERGY: 1218400 4050.7532 20539.4623 14319.4123 243.9048 -203645.4684 2882.5115 0.0000 0.0000 52405.0286 -109204.3957 301.1724 -161609.4242 -108839.4661 299.8125 87.5131 118.5192 761428.7932 24.3500 24.3530 PRESSURE: 1218600 -76.493 -147.241 31.2654 -147.239 -155.87 105.317 31.265 105.316 -20.2566 GPRESSURE: 1218600 -158.276 -112.54 166.499 -93.104 -11.1757 153.537 -2.34126 81.5396 -4.93702 PRESSAVG: 1218600 -30.1587 -2.87966 7.89055 -2.87968 21.6437 16.6538 7.89057 16.654 -14.7566 GPRESSAVG: 1218600 -28.1012 -3.81349 7.54125 -0.00846093 19.1401 16.3716 8.94279 17.5835 -14.3687 TIMING: 1218600 CPU: 3839.69, 0.00315054/step Wall: 3839.69, 0.00315054/step, 3.30929 hours remaining, 238.601562 MB of memory in use. ENERGY: 1218600 3966.0772 20451.3331 14406.2447 249.7750 -202745.8558 2216.7073 0.0000 0.0000 52096.5427 -109359.1758 299.3995 -161455.7185 -108996.1261 299.8116 -84.2065 -58.1297 761315.5274 -7.7572 -7.7766 PRESSURE: 1218800 -157.668 105.562 128.428 105.562 -361.881 -39.4634 128.427 -39.4641 52.753 GPRESSURE: 1218800 -186.793 152.157 137.84 14.3096 -247.116 -85.2685 -39.71 -53.7626 49.0371 PRESSAVG: 1218800 -28.0877 9.24972 37.5231 9.24976 -39.9727 38.7394 37.523 38.7394 13.063 GPRESSAVG: 1218800 -30.2759 11.9735 37.3442 5.95055 -38.469 38.9017 34.5082 37.9447 13.5353 TIMING: 1218800 CPU: 3840.32, 0.00315668/step Wall: 3840.32, 0.00315668/step, 3.31557 hours remaining, 238.601562 MB of memory in use. ENERGY: 1218800 4023.0864 20465.4689 14343.0694 250.7372 -202863.7955 2370.6344 0.0000 0.0000 52025.1910 -109385.6082 298.9895 -161410.7992 -109015.0873 299.5019 -155.5985 -128.2906 761314.9981 -18.3325 -18.4032 PRESSURE: 1219000 187.809 -3.92257 -32.8993 -3.92349 -66.4131 25.96 -32.899 25.9608 141.986 GPRESSURE: 1219000 159.026 -53.9082 2.66258 7.06673 -30.7061 -90.1839 10.1498 101.863 213.894 PRESSAVG: 1219000 28.904 -20.5615 23.0384 -20.5615 -47.4544 -54.4498 23.0384 -54.4498 3.60028 GPRESSAVG: 1219000 29.4861 -23.8909 24.6762 -21.4113 -48.0983 -56.0202 24.5808 -50.1674 3.97923 TIMING: 1219000 CPU: 3840.95, 0.00314212/step Wall: 3840.95, 0.00314212/step, 3.3001 hours remaining, 238.601562 MB of memory in use. ENERGY: 1219000 3932.3583 20724.2901 14437.0707 266.1585 -203554.8114 2844.5067 0.0000 0.0000 51967.5389 -109382.8882 298.6582 -161350.4270 -109029.9489 299.6557 87.7938 114.0712 760490.2099 -4.9834 -4.8777 PRESSURE: 1219200 114.243 -69.7234 64.3324 -69.722 -177.499 263.293 64.3317 263.293 -133.389 GPRESSURE: 1219200 90.1815 -8.07918 20.4248 -13.112 -68.9431 271.316 -10.9107 91.5804 -139.178 PRESSAVG: 1219200 -18.4603 -27.6712 45.7516 -27.6712 62.5785 15.5422 45.7516 15.5423 10.0897 GPRESSAVG: 1219200 -17.6506 -25.7319 43.4726 -25.172 62.7697 18.5375 47.2983 12.0465 8.49018 TIMING: 1219200 CPU: 3841.58, 0.00314792/step Wall: 3841.58, 0.00314792/step, 3.30602 hours remaining, 238.601562 MB of memory in use. ENERGY: 1219200 4017.6802 20633.5113 14350.3863 236.5407 -203240.3510 2426.0795 0.0000 0.0000 52116.9741 -109459.1789 299.5170 -161576.1530 -109101.7504 299.5287 -65.5484 -39.3133 762116.9730 18.0693 17.8697 PRESSURE: 1219400 348.794 -197.264 118.675 -197.264 216.295 -152.197 118.674 -152.197 -52.7823 GPRESSURE: 1219400 367.864 -224.286 129.131 -133.233 342.285 -79.2709 96.7547 -224.555 -116.667 PRESSAVG: 1219400 -0.532699 -43.2399 17.9315 -43.2399 5.3247 -28.6284 17.9315 -28.6285 18.4091 GPRESSAVG: 1219400 -0.844194 -44.3357 18.969 -44.9801 5.28115 -29.5727 14.3847 -30.7803 18.3035 TIMING: 1219400 CPU: 3842.21, 0.00317062/step Wall: 3842.21, 0.00317062/step, 3.32968 hours remaining, 238.601562 MB of memory in use. ENERGY: 1219400 3963.7027 20554.8731 14416.2247 219.9297 -203225.2251 2599.0745 0.0000 0.0000 51831.6294 -109639.7910 297.8771 -161471.4204 -109266.4970 299.3619 170.7690 197.8275 761317.4264 7.7337 7.5801 PRESSURE: 1219600 -188.593 -6.41384 120.37 -6.41498 68.685 -12.3341 120.37 -12.3329 110.296 GPRESSURE: 1219600 -151.938 28.5498 136.801 -97.2238 56.0191 1.13449 126.592 57.2946 158.693 PRESSAVG: 1219600 20.434 -22.1682 41.1233 -22.1681 0.839385 -46.0624 41.1232 -46.0624 0.185108 GPRESSAVG: 1219600 20.8908 -22.5521 40.2378 -19.3894 -0.0153802 -46.8925 44.8749 -43.5129 0.753734 TIMING: 1219600 CPU: 3842.84, 0.00314865/step Wall: 3842.84, 0.00314865/step, 3.30643 hours remaining, 238.601562 MB of memory in use. ENERGY: 1219600 4052.4318 20411.5829 14358.7767 242.2325 -203295.6146 2497.3216 0.0000 0.0000 51866.0273 -109867.2417 298.0748 -161733.2691 -109493.0583 298.7420 -3.2043 20.9248 762505.0860 7.1528 7.2097 PRESSURE: 1219800 197.889 84.3729 27.514 84.3732 -24.8851 79.8344 27.5147 79.8344 -121.259 GPRESSURE: 1219800 224.255 52.6667 52.891 17.809 -32.4834 41.2902 48.348 64.0972 -76.6982 PRESSAVG: 1219800 -44.8698 -8.0571 26.9862 -8.0571 56.3473 17.5787 26.9862 17.5787 -4.77917 GPRESSAVG: 1219800 -44.062 -4.67074 27.3022 -11.8541 55.0777 17.5818 25.6564 17.1457 -4.60075 TIMING: 1219800 CPU: 3843.47, 0.0031487/step Wall: 3843.47, 0.0031487/step, 3.30631 hours remaining, 238.601562 MB of memory in use. ENERGY: 1219800 3941.0651 20460.8653 14354.4141 260.4539 -203377.0099 2544.6923 0.0000 0.0000 51907.8485 -109907.6708 298.3151 -161815.5193 -109540.5711 299.0018 17.2481 38.3578 760307.1007 2.2328 2.1383 PRESSURE: 1220000 -71.1316 -46.2528 99.427 -46.2522 77.8528 19.8139 99.4273 19.8127 -413.133 GPRESSURE: 1220000 -51.5066 72.1977 46.6642 -73.6306 64.2326 -3.14016 80.8403 -22.0232 -329.153 PRESSAVG: 1220000 24.5565 -38.6282 27.3723 -38.6282 28.6809 -24.442 27.3722 -24.4421 25.2322 GPRESSAVG: 1220000 24.2809 -40.8738 28.2626 -36.1054 30.2932 -23.6405 24.9425 -25.1411 24.1486 TIMING: 1220000 CPU: 3844.1, 0.0031439/step Wall: 3844.1, 0.0031439/step, 3.3011 hours remaining, 238.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1220000 4006.3635 20366.1216 14406.5696 253.5859 -203789.7398 2931.4706 0.0000 0.0000 52209.3334 -109616.2952 300.0478 -161825.6286 -109245.9058 298.5949 -135.4706 -105.4757 762042.2908 26.1565 26.2409 PRESSURE: 1220200 -27.5245 -107.938 -31.6944 -107.938 25.6514 -296.908 -31.6961 -296.907 329.763 GPRESSURE: 1220200 1.43358 -106.898 -71.4153 -118.201 52.7725 -286.727 -67.2784 -253.202 366.445 PRESSAVG: 1220200 -5.30368 -59.582 25.5666 -59.5819 15.3713 -6.97906 25.5667 -6.9791 4.25429 GPRESSAVG: 1220200 -5.78522 -56.9241 23.6027 -58.4156 16.0673 -6.93469 28.4317 -7.99375 4.30614 TIMING: 1220200 CPU: 3844.73, 0.00315486/step Wall: 3844.73, 0.00315486/step, 3.31242 hours remaining, 238.601562 MB of memory in use. ENERGY: 1220200 3979.4668 20444.5558 14422.1875 241.8619 -203251.1828 2561.2687 0.0000 0.0000 51859.8838 -109741.9583 298.0395 -161601.8421 -109380.0202 298.6880 109.2966 140.2169 760884.7587 4.7740 4.8627 LDB: ============= START OF LOAD BALANCING ============== 3857.13 LDB: ============== END OF LOAD BALANCING =============== 3857.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3857.13 LDB: ============= START OF LOAD BALANCING ============== 3857.45 LDB: Largest compute 7077 load 0.031477 is 16.1% of average load 0.196021 LDB: Average compute 0.004365 is 2.2% of average load 0.196021 LDB: TIME 3857.45 LOAD: AVG 0.196021 MAX 0.215922 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.914 MB LDB: TIME 3857.45 LOAD: AVG 0.196021 MAX 0.215922 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: TIME 3857.45 LOAD: AVG 0.196021 MAX 0.215922 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: ============== END OF LOAD BALANCING =============== 3857.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3857.46 PRESSURE: 1220400 242.198 -28.889 83.6624 -28.8883 280.053 257.535 83.6619 257.535 -97.1629 GPRESSURE: 1220400 289.911 -67.2744 16.5593 -95.0223 285.669 211.076 42.3613 247.431 -39.8345 PRESSAVG: 1220400 -63.4279 -6.00866 25.0347 -6.00871 72.002 -30.1013 25.0347 -30.1012 5.35617 GPRESSAVG: 1220400 -64.0546 -8.29636 26.4706 -6.83021 72.3411 -29.5647 23.9209 -28.1562 6.14558 TIMING: 1220400 CPU: 3845.37, 0.00321828/step Wall: 3845.37, 0.00321828/step, 3.37884 hours remaining, 240.000000 MB of memory in use. ENERGY: 1220400 4002.8941 20341.1825 14467.9373 252.0158 -203199.4459 2585.7238 0.0000 0.0000 51629.8618 -109919.8306 296.7175 -161549.6924 -109552.6966 298.6594 141.6961 178.5820 760661.5433 4.6434 4.8107 PRESSURE: 1220600 -357.215 -39.8364 192.876 -39.8361 -270.908 206.21 192.875 206.208 -329.736 GPRESSURE: 1220600 -258.837 4.14271 157.853 -113.427 -264.085 90.4422 76.554 239.714 -351.026 PRESSAVG: 1220600 24.2124 -15.209 -0.355663 -15.2091 -16.818 -10.426 -0.355574 -10.426 -2.55609 GPRESSAVG: 1220600 25.0508 -17.9549 -0.70289 -15.7789 -18.2777 -11.2014 1.53414 -11.8229 -1.51549 TIMING: 1220600 CPU: 3846, 0.00314437/step Wall: 3846, 0.00314437/step, 3.30107 hours remaining, 240.203125 MB of memory in use. ENERGY: 1220600 3923.6826 20250.7624 14297.2953 254.5131 -203255.9112 2397.2845 0.0000 0.0000 51881.4705 -110250.9028 298.1635 -162132.3733 -109896.7710 297.9265 -319.2863 -291.3162 761778.3853 1.6128 1.7525 PRESSURE: 1220800 99.374 23.8906 -46.839 23.8904 62.0554 -239.17 -46.8384 -239.168 166.824 GPRESSURE: 1220800 161.761 93.3034 -12.4784 -97.5115 38.8747 -210.551 -28.922 -336.213 218.29 PRESSAVG: 1220800 -19.0583 18.5536 54.838 18.5535 77.3677 -112.507 54.8379 -112.506 5.67313 GPRESSAVG: 1220800 -18.9474 20.2685 55.0094 18.9925 77.4265 -111.341 54.0614 -112.462 5.44447 TIMING: 1220800 CPU: 3846.63, 0.00315086/step Wall: 3846.63, 0.00315086/step, 3.30771 hours remaining, 240.203125 MB of memory in use. ENERGY: 1220800 3866.6732 20326.0400 14379.8060 241.4921 -203641.1633 2669.4915 0.0000 0.0000 51908.4534 -110249.2070 298.3186 -162157.6605 -109887.6428 297.4575 109.4179 139.6418 758595.5481 21.3275 21.3079 PRESSURE: 1221000 -223.225 -146.814 205.53 -146.814 -250.399 -252.667 205.53 -252.667 -430.116 GPRESSURE: 1221000 -162.801 -102.342 200.906 -123.577 -165.817 -185.238 113.017 -260.874 -479.096 PRESSAVG: 1221000 -31.2697 -17.6166 40.8547 -17.6166 39.0926 -2.36576 40.8547 -2.36577 -9.19988 GPRESSAVG: 1221000 -31.2137 -16.9649 40.2288 -16.7343 40.2446 -1.525 42.2294 -3.25298 -10.4695 TIMING: 1221000 CPU: 3847.26, 0.00315662/step Wall: 3847.26, 0.00315662/step, 3.31358 hours remaining, 240.203125 MB of memory in use. ENERGY: 1221000 4038.7071 20505.8159 14386.9683 247.8871 -203800.6765 2765.5226 0.0000 0.0000 51778.4091 -110077.3663 297.5712 -161855.7754 -109718.0162 298.7479 -301.2467 -269.2380 759326.1550 -0.4590 -0.4795 PRESSURE: 1221200 262.267 -155.929 106.172 -155.93 -238.505 76.8981 106.172 76.8984 -381.962 GPRESSURE: 1221200 252.779 -82.275 106.918 -187.017 -191.921 -12.0008 118.723 226.309 -341.297 PRESSAVG: 1221200 8.81407 -6.6552 17.0002 -6.65519 6.44883 -50.9007 17.0001 -50.9007 -26.1472 GPRESSAVG: 1221200 8.17464 -8.21824 17.6566 -6.35481 6.08601 -51.5501 17.3555 -51.6003 -25.6438 TIMING: 1221200 CPU: 3847.89, 0.00314556/step Wall: 3847.89, 0.00314556/step, 3.30179 hours remaining, 240.203125 MB of memory in use. ENERGY: 1221200 4033.6531 20348.2141 14360.1679 273.8239 -203114.6956 2125.0960 0.0000 0.0000 52022.1426 -109951.5981 298.9720 -161973.7407 -109594.9710 298.3739 -119.4002 -93.4800 761944.6082 -3.6281 -3.7944 PRESSURE: 1221400 2.31293 27.4145 3.29647 27.4145 101.285 -31.6209 3.29673 -31.6195 -297.884 GPRESSURE: 1221400 -27.0592 31.6112 108.085 -47.7685 170.992 1.32718 -41.5278 53.3726 -252.956 PRESSAVG: 1221400 18.9763 -33.4947 49.4555 -33.4947 3.31818 4.24248 49.4555 4.24262 2.57557 GPRESSAVG: 1221400 17.9767 -29.91 48.2289 -34.9276 4.98918 3.47849 46.6427 6.89696 2.00248 TIMING: 1221400 CPU: 3848.52, 0.00314294/step Wall: 3848.52, 0.00314294/step, 3.29887 hours remaining, 240.203125 MB of memory in use. ENERGY: 1221400 4004.2995 20380.0181 14405.0219 230.1643 -203933.2075 2807.1400 0.0000 0.0000 52217.9003 -109888.6634 300.0970 -162106.5637 -109521.6960 298.6297 -64.7621 -36.3411 760459.1179 8.2900 8.3228 PRESSURE: 1221600 82.7778 110.35 81.7511 110.35 106.386 55.6888 81.7505 55.6886 124.431 GPRESSURE: 1221600 23.3727 189.416 101.583 38.7008 178.399 71.2574 48.4092 61.3678 196.563 PRESSAVG: 1221600 -70.4438 -18.4834 10.2226 -18.4834 97.8931 -6.71047 10.2227 -6.71044 12.3487 GPRESSAVG: 1221600 -70.3877 -22.6136 12.6663 -19.242 97.703 -7.14569 11.5322 -7.31381 12.5941 TIMING: 1221600 CPU: 3849.15, 0.00316184/step Wall: 3849.15, 0.00316183/step, 3.31852 hours remaining, 240.203125 MB of memory in use. ENERGY: 1221600 3965.6081 20507.8654 14344.4616 254.0784 -203410.8714 2487.9092 0.0000 0.0000 52229.1021 -109621.8466 300.1614 -161850.9487 -109263.8861 298.7566 104.5316 132.7784 762202.6983 13.2660 13.3031 PRESSURE: 1221800 -111.472 -139.788 249.854 -139.789 128.873 122.947 249.854 122.948 -321.842 GPRESSURE: 1221800 -81.8623 -74.177 282.984 30.1183 163.745 136.444 166.82 62.8672 -297.442 PRESSAVG: 1221800 -29.043 12.3019 51.3175 12.3019 1.04076 11.8969 51.3175 11.8969 7.11004 GPRESSAVG: 1221800 -28.6225 14.3413 50.0331 13.4366 0.479566 11.5933 50.5689 11.2024 7.12865 TIMING: 1221800 CPU: 3849.79, 0.00316444/step Wall: 3849.79, 0.00316444/step, 3.32108 hours remaining, 240.203125 MB of memory in use. ENERGY: 1221800 3987.2821 20443.7813 14439.8398 236.6470 -203399.9213 2541.1457 0.0000 0.0000 52258.3124 -109492.9130 300.3292 -161751.2254 -109139.7699 299.2282 -101.4800 -71.8532 762688.2120 -6.9641 -7.0048 PRESSURE: 1222000 -23.0735 100.611 -98.7653 100.61 131.615 -139.11 -98.7653 -139.109 598.999 GPRESSURE: 1222000 15.9294 52.0055 32.156 158.852 195.522 -212.369 -126.997 -18.8636 581.395 PRESSAVG: 1222000 -44.9286 -15.4078 29.8747 -15.4078 15.5042 -6.61892 29.8746 -6.61888 -24.4164 GPRESSAVG: 1222000 -46.1449 -15.9063 28.841 -14.8151 16.5737 -6.64498 32.5787 -3.6521 -23.9215 TIMING: 1222000 CPU: 3850.42, 0.00316487/step Wall: 3850.42, 0.00316487/step, 3.32135 hours remaining, 240.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1222000 3977.1277 20458.6887 14398.5797 259.0317 -202814.0523 2353.1427 0.0000 0.0000 51817.3469 -109550.1349 297.7950 -161367.4818 -109184.4237 298.8912 235.8465 264.2819 762709.2298 -17.9469 -17.8309 PRESSURE: 1222200 -257.695 152.787 117.695 152.787 -113.738 328.281 117.695 328.281 -280.696 GPRESSURE: 1222200 -245.6 164.663 93.5582 97.4085 -127.372 270.709 12.8318 229.982 -211.852 PRESSAVG: 1222200 -10.9354 6.5344 16.8933 6.53437 48.8149 -2.8572 16.8933 -2.85721 3.99537 GPRESSAVG: 1222200 -11.2838 5.98139 17.9371 6.44639 48.4354 -2.99892 14.3269 -3.8277 4.28026 TIMING: 1222200 CPU: 3851.05, 0.0031634/step Wall: 3851.05, 0.0031634/step, 3.31964 hours remaining, 240.203125 MB of memory in use. ENERGY: 1222200 3934.6348 20520.0599 14451.3161 271.2731 -202963.3418 2340.9495 0.0000 0.0000 51736.2990 -109708.8094 297.3292 -161445.1084 -109354.1325 298.7626 -217.3762 -194.9415 762939.1840 13.9583 13.8106 PRESSURE: 1222400 -138.138 207.379 353.596 207.379 -295.136 33.6666 353.596 33.666 -275.403 GPRESSURE: 1222400 -173.901 187.884 418.2 195.091 -234.109 37.6181 270.761 -63.3296 -224.511 PRESSAVG: 1222400 -57.191 -25.2067 -46.3481 -25.2067 65.4044 -14.9516 -46.348 -14.9516 9.23615 GPRESSAVG: 1222400 -57.6069 -24.2086 -46.823 -25.5679 65.6216 -14.0916 -45.7538 -15.1967 9.13865 TIMING: 1222400 CPU: 3851.69, 0.00316626/step Wall: 3851.69, 0.00316626/step, 3.32246 hours remaining, 240.203125 MB of memory in use. ENERGY: 1222400 3881.4082 20539.3324 14473.0188 255.9376 -202878.7447 2187.4827 0.0000 0.0000 51839.7894 -109701.7756 297.9240 -161541.5650 -109343.7540 298.7964 -236.2258 -210.8403 763005.1896 5.8165 5.7178 PRESSURE: 1222600 82.2389 174.85 -7.21193 174.85 50.0777 17.3047 -7.21142 17.3054 22.7829 GPRESSURE: 1222600 128.959 153.542 -44.1222 257.086 148.405 -70.072 -43.4881 40.8278 -26.2255 PRESSAVG: 1222600 -20.9545 22.3382 9.35199 22.3382 48.581 2.52429 9.35201 2.52437 31.9057 GPRESSAVG: 1222600 -19.9239 21.6013 8.2325 21.9608 47.5019 2.86775 10.525 1.06803 32.0233 TIMING: 1222600 CPU: 3852.32, 0.00315808/step Wall: 3852.32, 0.00315808/step, 3.3137 hours remaining, 240.203125 MB of memory in use. ENERGY: 1222600 3984.0107 20501.3865 14438.1808 245.3841 -203463.1373 2595.5829 0.0000 0.0000 52106.1497 -109592.4426 299.4548 -161698.5923 -109229.5023 298.6428 51.6998 83.7129 760033.8979 19.8441 19.8671 PRESSURE: 1222800 59.1081 47.3728 28.9449 47.3736 182.615 22.0503 28.9453 22.05 374.499 GPRESSURE: 1222800 99.6778 -38.3242 76.204 -22.4803 181.096 2.06165 -33.9661 -28.488 425.379 PRESSAVG: 1222800 17.9009 -40.3349 16.125 -40.3349 -34.452 -31.23 16.125 -31.2299 -6.75365 GPRESSAVG: 1222800 18.9199 -41.0911 17.2859 -39.9656 -33.9237 -31.3583 14.6527 -30.2365 -8.00024 TIMING: 1222800 CPU: 3852.95, 0.00315774/step Wall: 3852.95, 0.00315774/step, 3.31318 hours remaining, 240.203125 MB of memory in use. ENERGY: 1222800 3962.7122 20497.8844 14461.9255 239.2411 -203398.6739 2795.6078 0.0000 0.0000 52110.0894 -109331.2134 299.4774 -161441.3028 -108966.0521 299.6600 205.4074 235.3842 761014.6675 -7.7682 -7.6680 PRESSURE: 1223000 26.9088 42.9316 -67.2794 42.9308 155.239 51.3275 -67.2792 51.3277 437.087 GPRESSURE: 1223000 31.4505 102.688 -133.479 -21.6656 204.563 68.0248 -25.5213 -62.7323 460.661 PRESSAVG: 1223000 -48.0656 -0.00469531 2.43263 -0.00473419 69.8223 12.048 2.43256 12.0481 7.75316 GPRESSAVG: 1223000 -48.3951 1.81487 1.84957 -0.685102 69.1542 13.7858 3.72484 11.7546 9.1858 TIMING: 1223000 CPU: 3853.58, 0.00317359/step Wall: 3853.58, 0.00317359/step, 3.32963 hours remaining, 240.203125 MB of memory in use. ENERGY: 1223000 4050.0469 20503.2464 14390.6121 232.0848 -203731.7610 2860.4567 0.0000 0.0000 52141.3632 -109553.9509 299.6571 -161695.3141 -109190.7097 299.8287 206.4116 232.2248 760823.9141 9.8366 9.9816 PRESSURE: 1223200 -291.91 114.787 63.9802 114.787 -43.9798 -8.73306 63.9794 -8.73319 -141.021 GPRESSURE: 1223200 -260.494 33.7342 81.8876 -114.322 21.7516 8.49921 19.1339 36.8586 -146.06 PRESSAVG: 1223200 -31.9057 -31.7306 8.95644 -31.7306 6.17832 -62.3341 8.95639 -62.3341 8.98967 GPRESSAVG: 1223200 -32.4008 -35.37 8.78887 -29.0572 8.05067 -63.4532 8.7284 -61.3869 7.13365 TIMING: 1223200 CPU: 3854.22, 0.00315741/step Wall: 3854.22, 0.00315741/step, 3.31247 hours remaining, 240.203125 MB of memory in use. ENERGY: 1223200 3979.8786 20471.4035 14457.4499 239.6606 -203224.5361 2563.9644 0.0000 0.0000 51941.9577 -109570.2216 298.5111 -161512.1793 -109202.9841 299.7991 -158.9702 -128.2673 762672.1171 -5.5792 -5.7388 PRESSURE: 1223400 48.5268 -62.76 -56.8174 -62.7596 -292.586 -177.101 -56.818 -177.101 -142.215 GPRESSURE: 1223400 145.807 -134.972 -12.0891 -89.6027 -308.517 -215.12 -63.1575 -331.01 -136.553 PRESSAVG: 1223400 -27.9818 -6.16691 50.7852 -6.16691 6.46296 -58.7713 50.7852 -58.7714 -8.67119 GPRESSAVG: 1223400 -28.0052 -5.04541 51.7363 -8.10614 5.55992 -58.6472 51.0348 -60.0681 -6.9567 TIMING: 1223400 CPU: 3854.85, 0.0031775/step Wall: 3854.85, 0.0031775/step, 3.33337 hours remaining, 240.203125 MB of memory in use. ENERGY: 1223400 3999.5924 20450.7870 14414.4907 244.0113 -203077.2413 2175.7106 0.0000 0.0000 52190.7998 -109601.8495 299.9412 -161792.6493 -109243.4437 298.9251 -128.7582 -99.7541 760691.4435 -10.0633 -9.8007 PRESSURE: 1223600 153.387 -77.0175 186.218 -77.0169 387.988 -272.379 186.218 -272.377 378.781 GPRESSURE: 1223600 240.411 44.0734 145.975 -25.7769 330.988 -322.94 107.827 -124.332 431.094 PRESSAVG: 1223600 -31.373 -33.4645 -15.1505 -33.4645 36.5262 -48.6945 -15.1506 -48.6945 -18.7817 GPRESSAVG: 1223600 -30.2763 -30.4772 -18.0616 -32.3773 35.0987 -48.9944 -13.6437 -46.8834 -18.3048 TIMING: 1223600 CPU: 3855.49, 0.00318096/step Wall: 3855.49, 0.00318096/step, 3.33683 hours remaining, 240.203125 MB of memory in use. ENERGY: 1223600 4050.4052 20339.3709 14470.9873 253.3045 -203626.7155 2545.7806 0.0000 0.0000 52302.2538 -109664.6133 300.5818 -161966.8671 -109309.0278 299.0038 306.7185 334.1643 760113.2012 -4.5428 -4.4941 PRESSURE: 1223800 -23.7761 7.51149 -193.494 7.51165 -186.537 -139.207 -193.494 -139.207 158.405 GPRESSURE: 1223800 -78.2102 14.038 -169.148 -76.1848 -54.0358 -189.621 -89.1934 -110.209 153.609 PRESSAVG: 1223800 24.5856 -60.8332 41.7583 -60.8332 -49.0355 -75.236 41.7582 -75.2361 0.869404 GPRESSAVG: 1223800 24.3927 -64.2381 42.7939 -61.3898 -47.6016 -76.323 39.7725 -75.7102 -0.753266 TIMING: 1223800 CPU: 3856.12, 0.00315956/step Wall: 3856.12, 0.00315956/step, 3.31421 hours remaining, 240.203125 MB of memory in use. ENERGY: 1223800 3995.4792 20587.3170 14422.8627 246.8648 -203542.7909 2391.4182 0.0000 0.0000 52166.3113 -109732.5376 299.8005 -161898.8489 -109370.7915 299.2664 -17.3026 7.1210 760986.2054 -7.8602 -7.9874 PRESSURE: 1224000 -152.524 63.3803 153.42 63.3806 -250.243 -227.548 153.421 -227.547 -170.332 GPRESSURE: 1224000 -74.6996 85.7988 188.872 52.0312 -269.06 -183.462 14.1393 -135.574 -157.46 PRESSAVG: 1224000 -9.94009 3.03777 53.6421 3.03773 -12.3706 -45.5349 53.6421 -45.535 13.754 GPRESSAVG: 1224000 -10.115 4.73066 54.2987 1.61588 -12.6268 -45.1983 54.0278 -45.1182 14.0028 TIMING: 1224000 CPU: 3856.75, 0.00315312/step Wall: 3856.75, 0.00315312/step, 3.30728 hours remaining, 240.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1224000 4032.3967 20606.5903 14403.2337 252.5603 -203075.1507 2120.6073 0.0000 0.0000 52035.7821 -109623.9802 299.0504 -161659.7624 -109265.1678 299.1205 -191.0330 -167.0732 761791.2889 -2.8522 -2.9130 PRESSURE: 1224200 -199.543 -226.861 -16.0011 -226.86 -56.5168 141.713 -16.0006 141.712 147.289 GPRESSURE: 1224200 -184.85 -70.1951 -110.061 -153.335 49.0429 44.6385 50.811 127.4 100.503 PRESSAVG: 1224200 -19.3069 -2.73972 64.5308 -2.73978 -8.86506 -4.84 64.5308 -4.84 -16.4037 GPRESSAVG: 1224200 -18.7953 -2.50237 64.6504 0.00103603 -7.90962 -5.07298 64.054 -4.33432 -17.7145 TIMING: 1224200 CPU: 3857.38, 0.00315603/step Wall: 3857.38, 0.00315603/step, 3.31015 hours remaining, 240.203125 MB of memory in use. ENERGY: 1224200 3990.5440 20590.4775 14412.7087 250.0954 -203403.6288 2399.5933 0.0000 0.0000 52016.6788 -109743.5312 298.9406 -161760.2099 -109374.9343 299.3780 -36.2567 -11.7682 760756.2550 -14.8586 -14.8065 LDB: ============= START OF LOAD BALANCING ============== 3869.78 LDB: ============== END OF LOAD BALANCING =============== 3869.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3869.78 LDB: ============= START OF LOAD BALANCING ============== 3870.1 LDB: Largest compute 7026 load 0.032044 is 16.3% of average load 0.196062 LDB: Average compute 0.004363 is 2.2% of average load 0.196062 LDB: TIME 3870.1 LOAD: AVG 0.196062 MAX 0.218625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.031 MB LDB: TIME 3870.1 LOAD: AVG 0.196062 MAX 0.218625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.234 MB LDB: TIME 3870.1 LOAD: AVG 0.196062 MAX 0.218625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.234 MB LDB: ============== END OF LOAD BALANCING =============== 3870.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3870.11 PRESSURE: 1224400 422.525 296.903 -139.121 296.903 273.508 292.291 -139.122 292.289 -121.732 GPRESSURE: 1224400 359.388 120.238 -114.348 214.75 362.756 255.331 7.08457 257.952 -52.622 PRESSAVG: 1224400 -22.912 -37.0292 43.9278 -37.0291 4.12097 -11.0495 43.9278 -11.0495 -14.079 GPRESSAVG: 1224400 -23.9359 -37.9127 43.1856 -39.7062 4.3029 -11.437 43.8551 -10.1515 -13.4606 TIMING: 1224400 CPU: 3858.02, 0.0032126/step Wall: 3858.02, 0.00321259/step, 3.3693 hours remaining, 237.945312 MB of memory in use. ENERGY: 1224400 4047.6268 20453.9360 14428.7962 240.3327 -203772.6097 2795.2708 0.0000 0.0000 52087.8071 -109718.8400 299.3493 -161806.6471 -109358.5206 298.7931 191.4334 223.1739 759625.8083 -10.9567 -11.0312 PRESSURE: 1224600 -87.9876 68.1179 42.8718 68.1173 -257.906 -48.7639 42.8718 -48.7646 60.6079 GPRESSURE: 1224600 -14.5256 37.5579 -6.55016 52.2548 -237.395 -34.0998 -62.0564 71.2173 52.8465 PRESSAVG: 1224600 5.74232 32.3599 -1.59753 32.3598 -12.3755 -58.5565 -1.59756 -58.5566 -5.89035 GPRESSAVG: 1224600 6.17017 33.3238 -0.137892 33.6972 -14.1856 -57.3401 -2.12768 -59.4743 -4.33293 TIMING: 1224600 CPU: 3858.65, 0.00313833/step Wall: 3858.65, 0.00313833/step, 3.29124 hours remaining, 238.203125 MB of memory in use. ENERGY: 1224600 4041.7446 20632.5207 14381.4351 251.7597 -203315.1061 2505.6322 0.0000 0.0000 51752.2130 -109749.8008 297.4207 -161502.0138 -109381.4364 299.4094 -95.0951 -66.3580 762575.3208 -4.1745 -4.1161 PRESSURE: 1224800 2.16109 -54.1387 -80.1774 -54.1387 -333.078 38.7474 -80.1771 38.7461 -209.13 GPRESSURE: 1224800 0.0594719 -144.921 -133.945 -41.0669 -256.845 94.7824 -48.113 102.367 -216.64 PRESSAVG: 1224800 16.6582 -64.7291 9.27459 -64.7291 -30.0918 -60.9092 9.27462 -60.9092 1.9789 GPRESSAVG: 1224800 16.7138 -66.9808 7.68328 -65.5417 -29.9385 -61.47 10.3451 -61.8552 1.98646 TIMING: 1224800 CPU: 3859.28, 0.00314251/step Wall: 3859.28, 0.00314251/step, 3.29544 hours remaining, 238.203125 MB of memory in use. ENERGY: 1224800 4001.8255 20554.1358 14385.3980 250.8951 -203801.0760 2997.3695 0.0000 0.0000 51871.5096 -109739.9424 298.1063 -161611.4521 -109382.6499 299.0039 -180.0157 -157.8084 762023.7237 -3.8182 -3.7461 PRESSURE: 1225000 -3.61053 101.586 132.888 101.585 192.726 -47.3629 132.887 -47.3623 -216.939 GPRESSURE: 1225000 108.258 49.2632 140.49 79.8464 129.864 -1.99493 100.266 -61.3114 -159.279 PRESSAVG: 1225000 -21.7156 5.08276 14.5805 5.08275 25.2582 -1.11716 14.5805 -1.11718 -0.692112 GPRESSAVG: 1225000 -21.9357 6.20163 14.4259 4.70917 26.3485 -1.69183 14.711 0.274336 -1.82463 TIMING: 1225000 CPU: 3859.91, 0.00314937/step Wall: 3859.91, 0.00314937/step, 3.30246 hours remaining, 238.203125 MB of memory in use. ENERGY: 1225000 3965.0603 20473.6657 14352.7890 245.4523 -203719.2814 2612.9910 0.0000 0.0000 52432.8220 -109636.5012 301.3321 -162069.3232 -109268.6378 299.0748 -9.2747 26.2809 762166.3086 0.9502 0.8627 PRESSURE: 1225200 -6.39824 6.504 -97.9565 6.50378 -243.386 142.325 -97.9569 142.325 392.462 GPRESSURE: 1225200 104.368 8.38495 -94.42 0.0347112 -158.043 158.107 -85.5484 -108.097 314.259 PRESSAVG: 1225200 11.1057 21.1163 34.0684 21.1163 -10.6014 1.24683 34.0685 1.24677 9.51707 GPRESSAVG: 1225200 10.9857 22.7238 36.719 21.314 -10.6625 0.562648 33.1163 1.34562 9.8462 TIMING: 1225200 CPU: 3860.54, 0.00315141/step Wall: 3860.54, 0.00315141/step, 3.30443 hours remaining, 238.238281 MB of memory in use. ENERGY: 1225200 4037.3564 20589.3981 14478.0039 253.9920 -203800.6998 2936.4651 0.0000 0.0000 51855.3454 -109650.1389 298.0134 -161505.4843 -109287.3810 299.2355 47.5595 86.8614 761773.2009 3.3405 3.3898 PRESSURE: 1225400 31.2624 -42.6114 24.0007 -42.6109 -213.315 -99.3466 24.0012 -99.346 123.297 GPRESSURE: 1225400 -9.53571 -34.1442 -35.3972 1.77747 -88.1055 -70.5696 82.6376 -108.022 107.777 PRESSAVG: 1225400 -33.0352 22.6564 41.8899 22.6564 15.4229 15.6138 41.8899 15.6137 -10.4191 GPRESSAVG: 1225400 -33.9934 20.808 39.7469 24.5297 16.1371 16.7043 41.3524 13.7277 -10.3004 TIMING: 1225400 CPU: 3861.17, 0.00315491/step Wall: 3861.17, 0.00315491/step, 3.30792 hours remaining, 238.238281 MB of memory in use. ENERGY: 1225400 3982.6863 20529.8279 14364.1347 274.6408 -203886.1509 2719.0078 0.0000 0.0000 52296.4749 -109719.3785 300.5486 -162015.8535 -109351.4419 299.3416 -19.5851 3.3784 760146.1969 -9.3438 -9.3856 PRESSURE: 1225600 371.16 -178.265 -104.637 -178.265 281.101 92.4284 -104.639 92.4287 -344.711 GPRESSURE: 1225600 350.001 -153.88 -63.3503 -73.1997 347.052 13.6445 -77.9401 167.718 -314.825 PRESSAVG: 1225600 -89.7019 -37.4833 16.8492 -37.4832 88.7637 17.6458 16.8492 17.6457 14.2106 GPRESSAVG: 1225600 -88.3842 -35.4817 16.0042 -39.7389 87.5017 17.7253 17.5403 20.235 14.0807 TIMING: 1225600 CPU: 3861.8, 0.0031564/step Wall: 3861.8, 0.0031564/step, 3.30931 hours remaining, 238.238281 MB of memory in use. ENERGY: 1225600 4005.8554 20524.8331 14347.2797 241.8937 -203488.2203 2476.6077 0.0000 0.0000 52134.5190 -109757.2317 299.6178 -161891.7507 -109395.5143 298.9075 102.5165 127.4094 759779.2727 4.4242 4.3994 PRESSURE: 1225800 284.305 -25.6086 -105.117 -25.609 -205.634 446.137 -105.117 446.136 -400.461 GPRESSURE: 1225800 192.09 -20.7036 -164.088 -15.4769 -110.095 474.51 36.3525 431.34 -324.64 PRESSAVG: 1225800 -28.8354 -7.68535 42.3117 -7.68536 -7.54095 24.7146 42.3116 24.7147 -22.4489 GPRESSAVG: 1225800 -28.9003 -9.4698 41.8736 -7.59913 -6.77378 25.701 43.24 24.7425 -22.2831 TIMING: 1225800 CPU: 3862.43, 0.00314304/step Wall: 3862.43, 0.00314304/step, 3.29512 hours remaining, 238.238281 MB of memory in use. ENERGY: 1225800 4039.9965 20670.9356 14398.1683 240.7770 -203254.0064 2435.4092 0.0000 0.0000 52003.5437 -109465.1762 298.8651 -161468.7198 -109106.5451 299.5214 -107.2631 -80.8818 761546.0773 -19.6084 -19.3191 PRESSURE: 1226000 -170.318 -292.022 21.2346 -292.021 86.1462 -156.358 21.2351 -156.359 261.39 GPRESSURE: 1226000 -170.344 -281.302 49.7726 -348.4 113.51 -166.744 55.5564 -154.25 311.354 PRESSAVG: 1226000 -41.9861 -43.9253 35.7966 -43.9253 8.3718 41.505 35.7967 41.505 10.955 GPRESSAVG: 1226000 -41.7859 -43.9508 37.6723 -45.2734 7.64561 41.0477 35.5252 39.3651 11.3643 TIMING: 1226000 CPU: 3863.06, 0.00316068/step Wall: 3863.06, 0.00316068/step, 3.31345 hours remaining, 238.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1226000 4068.3550 20485.6305 14376.4094 249.2969 -203151.5462 2421.8855 0.0000 0.0000 51950.4039 -109599.5651 298.5597 -161549.9690 -109237.6627 299.2415 59.0726 84.8400 762221.1234 -7.5531 -7.5920 PRESSURE: 1226200 121.88 -250.44 109.119 -250.44 268.088 -205.126 109.12 -205.127 151.631 GPRESSURE: 1226200 71.7228 -223.091 151.66 -275.309 430.384 -275.649 45.7861 -122.987 121.706 PRESSAVG: 1226200 -56.1478 -46.1171 -16.2672 -46.1171 78.1998 87.037 -16.2672 87.0369 8.39671 GPRESSAVG: 1226200 -56.4576 -45.7023 -15.0703 -46.0316 80.0075 86.2055 -16.4232 87.2776 7.23934 TIMING: 1226200 CPU: 3863.69, 0.00314818/step Wall: 3863.69, 0.00314818/step, 3.30017 hours remaining, 238.238281 MB of memory in use. ENERGY: 1226200 3995.9034 20476.1426 14393.3973 235.5106 -203955.4716 2877.3698 0.0000 0.0000 52397.3827 -109579.7652 301.1285 -161977.1479 -109211.3089 299.4452 180.5329 207.9377 760781.9518 10.1496 10.2631 PRESSURE: 1226400 -187.189 180.052 -179.609 180.051 121.415 121.785 -179.609 121.786 46.4213 GPRESSURE: 1226400 -118.103 141.902 -160.203 103.143 148.127 210.028 -88.9557 67.6081 26.303 PRESSAVG: 1226400 -33.0462 -19.051 -35.174 -19.051 78.7451 16.7365 -35.174 16.7365 26.9724 GPRESSAVG: 1226400 -32.0714 -17.8594 -36.9299 -17.1671 78.0901 17.7523 -33.5099 17.7768 26.5827 TIMING: 1226400 CPU: 3864.32, 0.00314525/step Wall: 3864.32, 0.00314525/step, 3.29692 hours remaining, 238.238281 MB of memory in use. ENERGY: 1226400 3980.6272 20550.0464 14447.5167 266.2332 -203489.9493 2523.3258 0.0000 0.0000 52039.1594 -109683.0406 299.0698 -161722.2000 -109326.0436 299.0767 -6.4509 18.7757 760956.3757 24.2238 24.2005 PRESSURE: 1226600 -322.088 -70.3888 -2.99741 -70.3895 152.107 -28.8879 -2.99698 -28.8871 -1.9218 GPRESSURE: 1226600 -268.683 -16.4329 -44.9027 -23.4461 63.7801 4.54618 128.466 -131.946 102.24 PRESSAVG: 1226600 -5.77265 -103.801 24.1922 -103.801 15.897 -5.63664 24.1921 -5.63663 -10.3866 GPRESSAVG: 1226600 -6.56006 -104.387 24.2159 -102.921 14.1846 -6.54157 24.7155 -7.10537 -8.7397 TIMING: 1226600 CPU: 3864.95, 0.00314809/step Wall: 3864.95, 0.00314809/step, 3.29973 hours remaining, 238.238281 MB of memory in use. ENERGY: 1226600 3977.6852 20527.3140 14362.9954 260.7002 -202995.0844 2264.6371 0.0000 0.0000 51651.5524 -109950.2001 296.8422 -161601.7525 -109590.5371 298.6629 -57.3007 -34.2211 760925.2789 -0.0874 -0.3717 PRESSURE: 1226800 120.82 -102.556 -59.0886 -102.556 -101.968 93.454 -59.0874 93.4554 -100.122 GPRESSURE: 1226800 20.5938 -85.497 -77.8206 -171.912 69.5979 97.3102 -41.6303 101.769 -44.6233 PRESSAVG: 1226800 13.3425 -67.8246 40.8396 -67.8246 -0.692113 -23.0207 40.8395 -23.0208 -11.9372 GPRESSAVG: 1226800 13.3559 -68.4879 41.3617 -67.6447 -0.260276 -21.9598 38.1761 -22.3464 -12.1313 TIMING: 1226800 CPU: 3865.58, 0.00314377/step Wall: 3865.58, 0.00314377/step, 3.29502 hours remaining, 238.238281 MB of memory in use. ENERGY: 1226800 3993.3210 20363.2335 14427.3630 255.3765 -203472.8348 2603.9592 0.0000 0.0000 51871.6162 -109957.9653 298.1069 -161829.5815 -109599.1453 298.3666 -27.0901 15.1895 761345.0179 0.2377 0.3215 PRESSURE: 1227000 70.6644 -52.9991 -28.7707 -53.0001 129.271 -85.8439 -28.771 -85.8453 593.247 GPRESSURE: 1227000 67.0992 -65.7938 69.7171 -41.8777 222.103 -78.4178 83.7485 -34.7812 563.68 PRESSAVG: 1227000 -19.2664 -53.234 56.849 -53.2341 13.7581 -34.9592 56.8489 -34.9592 -8.37697 GPRESSAVG: 1227000 -20.3164 -53.4248 55.9174 -53.9894 14.5037 -36.6172 57.4842 -34.9775 -7.89312 TIMING: 1227000 CPU: 3866.21, 0.00313599/step Wall: 3866.21, 0.00313599/step, 3.2867 hours remaining, 238.238281 MB of memory in use. ENERGY: 1227000 3952.6238 20537.5284 14472.1711 247.7025 -203652.4259 2605.0625 0.0000 0.0000 52190.0176 -109647.3200 299.9367 -161837.3376 -109284.3891 299.0688 264.3940 284.2943 759032.0761 -4.6284 -4.5686 PRESSURE: 1227200 156.234 40.7251 149.44 40.7243 202.586 -135.439 149.44 -135.44 -551.759 GPRESSURE: 1227200 317.462 46.4349 136.375 -33.6416 66.7713 -83.6192 9.13809 -5.15768 -508.936 PRESSAVG: 1227200 -40.1513 -92.8095 31.9936 -92.8096 2.65184 -5.23665 31.9936 -5.23662 33.0256 GPRESSAVG: 1227200 -40.2686 -90.6823 33.3541 -96.0541 3.6857 -5.20206 30.6745 -2.88966 32.4407 TIMING: 1227200 CPU: 3866.84, 0.00315034/step Wall: 3866.84, 0.00315034/step, 3.30155 hours remaining, 238.238281 MB of memory in use. ENERGY: 1227200 3972.5264 20551.3681 14385.3390 245.2982 -203487.7232 2385.6590 0.0000 0.0000 52201.5245 -109746.0081 300.0029 -161947.5326 -109380.2720 299.3141 -64.3129 -41.5678 760992.0095 -1.4913 -1.3807 PRESSURE: 1227400 -149.457 -34.7518 22.9815 -34.751 -29.3774 -154.299 22.9824 -154.298 210.323 GPRESSURE: 1227400 -119.271 -268.796 88.5648 -28.5996 40.5857 -129.406 31.8803 -188.633 189.1 PRESSAVG: 1227400 4.6019 -31.4826 77.0541 -31.4825 1.76294 11.1236 77.0541 11.1236 0.183182 GPRESSAVG: 1227400 5.61126 -34.9513 76.7089 -28.7308 -0.0452105 12.8542 77.6071 8.33387 1.01889 TIMING: 1227400 CPU: 3867.47, 0.00316107/step Wall: 3867.47, 0.00316107/step, 3.31263 hours remaining, 238.238281 MB of memory in use. ENERGY: 1227400 3866.1412 20472.8943 14442.3620 261.6975 -203388.5588 2407.1131 0.0000 0.0000 52023.3240 -109915.0267 298.9788 -161938.3506 -109551.4432 298.8437 10.4960 36.8050 761723.3321 2.1827 2.1950 PRESSURE: 1227600 165.863 -0.286874 -54.2566 -0.287018 -290.471 -140.535 -54.2573 -140.536 487.542 GPRESSURE: 1227600 311.602 -23.3315 -95.0618 -14.1535 -253.941 -43.4485 -35.3881 -109.48 396.706 PRESSAVG: 1227600 6.91846 17.7773 60.9416 17.7774 -24.9894 11.3748 60.9416 11.3748 14.1762 GPRESSAVG: 1227600 8.0892 17.0811 62.2141 18.2673 -25.2807 9.47151 60.9815 12.3849 12.661 TIMING: 1227600 CPU: 3868.1, 0.00315325/step Wall: 3868.1, 0.00315325/step, 3.30426 hours remaining, 238.238281 MB of memory in use. ENERGY: 1227600 3909.9114 20474.0591 14371.0765 245.9387 -203518.4365 2543.6582 0.0000 0.0000 52104.7009 -109869.0916 299.4464 -161973.7925 -109506.6738 298.7440 120.9780 151.4557 761091.8616 -1.2982 -1.5102 PRESSURE: 1227800 -92.3339 -11.7419 -82.8363 -11.7422 32.1436 -51.9238 -82.8352 -51.9254 -63.928 GPRESSURE: 1227800 -78.2944 -125.898 -65.3084 -127.242 47.1992 -114.968 -4.99452 7.5745 1.9297 PRESSAVG: 1227800 5.37121 -46.5329 21.3827 -46.533 -17.9454 -9.78428 21.3827 -9.7843 -15.7153 GPRESSAVG: 1227800 3.45292 -44.2554 20.791 -45.7219 -15.2882 -8.35253 23.222 -10.5736 -16.5059 TIMING: 1227800 CPU: 3868.73, 0.00315218/step Wall: 3868.73, 0.00315218/step, 3.30295 hours remaining, 238.238281 MB of memory in use. ENERGY: 1227800 3938.0911 20505.6711 14362.7285 253.6258 -203543.0785 2746.6935 0.0000 0.0000 52018.3716 -109717.8968 298.9503 -161736.2684 -109359.6947 298.4704 -41.3727 -9.7219 761637.8514 -9.4298 -9.4470 PRESSURE: 1228000 167.561 -112.478 -73.6788 -112.478 201.795 67.9393 -73.6786 67.9393 41.3441 GPRESSURE: 1228000 244.462 -110.3 -163.783 -190.876 177.839 61.643 -100.042 31.6208 58.9132 PRESSAVG: 1228000 -24.7134 -46.0987 19.6876 -46.0986 16.167 -92.825 19.6876 -92.8249 14.3939 GPRESSAVG: 1228000 -22.3126 -45.2146 18.612 -48.0058 13.2124 -91.9064 20.5255 -92.9112 15.3601 TIMING: 1228000 CPU: 3869.36, 0.00314542/step Wall: 3869.36, 0.00314542/step, 3.2957 hours remaining, 238.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1228000 4002.0088 20519.1647 14429.6376 258.8471 -203690.1653 2884.4436 0.0000 0.0000 51998.9870 -109597.0764 298.8389 -161596.0634 -109239.4698 298.7616 136.9002 160.4047 762729.3641 1.9491 2.0867 PRESSURE: 1228200 198.434 -205.132 -82.9213 -205.131 1.15506 101.746 -82.9214 101.746 441.957 GPRESSURE: 1228200 217.301 -275.563 -136.696 -65.4057 81.5601 4.74198 72.5126 156.571 422.493 PRESSAVG: 1228200 31.4567 -14.539 18.3425 -14.539 -53.3005 -29.2192 18.3425 -29.2192 5.53065 GPRESSAVG: 1228200 30.0758 -15.8366 17.205 -11.518 -52.6191 -30.3431 16.1473 -26.6152 6.35601 TIMING: 1228200 CPU: 3869.99, 0.00314944/step Wall: 3869.99, 0.00314944/step, 3.29974 hours remaining, 238.238281 MB of memory in use. ENERGY: 1228200 3993.2215 20336.4604 14500.4110 251.6398 -203324.2992 2677.2374 0.0000 0.0000 51953.6521 -109611.6769 298.5784 -161565.3290 -109241.5099 299.0144 213.8487 240.4514 761683.1697 -5.4377 -5.3958 LDB: ============= START OF LOAD BALANCING ============== 3882.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3882.39 LDB: =============== DONE WITH MIGRATION ================ 3882.39 LDB: ============= START OF LOAD BALANCING ============== 3882.7 LDB: Largest compute 7026 load 0.034159 is 17.4% of average load 0.196047 LDB: Average compute 0.004395 is 2.2% of average load 0.196047 LDB: TIME 3882.71 LOAD: AVG 0.196047 MAX 0.212719 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.688 MB LDB: TIME 3882.71 LOAD: AVG 0.196047 MAX 0.212719 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.688 MB LDB: TIME 3882.71 LOAD: AVG 0.196047 MAX 0.212719 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.688 MB LDB: ============== END OF LOAD BALANCING =============== 3882.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3882.71 PRESSURE: 1228400 294.226 39.5497 -119.323 39.5501 -80.0606 -100.899 -119.324 -100.899 344.822 GPRESSURE: 1228400 303.911 7.75491 -54.7085 53.7821 -72.7073 -159.697 -78.9826 -234.514 408.554 PRESSAVG: 1228400 51.123 15.2922 3.74934 15.2923 -60.7329 -50.4602 3.74932 -50.4603 6.71502 GPRESSAVG: 1228400 51.6943 17.6204 5.32365 13.5953 -61.7041 -51.5058 5.80112 -54.6028 6.61309 TIMING: 1228400 CPU: 3870.63, 0.00321009/step Wall: 3870.63, 0.00321009/step, 3.3631 hours remaining, 238.718750 MB of memory in use. ENERGY: 1228400 3961.0247 20494.6596 14449.8262 249.0887 -203534.1720 2819.1967 0.0000 0.0000 51811.2515 -109749.1246 297.7600 -161560.3762 -109386.1596 298.5789 186.3291 213.2525 760308.7128 -0.9649 -1.1323 PRESSURE: 1228600 -226.002 -49.6205 102.067 -49.621 -71.2551 119.596 102.067 119.595 282.356 GPRESSURE: 1228600 -219.03 -87.5061 45.4303 -18.2416 17.6801 1.92426 148.98 129.62 272.222 PRESSAVG: 1228600 76.7072 -18.3358 -5.80394 -18.3357 -104.455 -25.6818 -5.80392 -25.6819 19.2279 GPRESSAVG: 1228600 75.5331 -19.5881 -5.61339 -19.2923 -103.143 -25.9402 -8.8362 -23.0278 18.3164 TIMING: 1228600 CPU: 3871.26, 0.00314889/step Wall: 3871.26, 0.00314889/step, 3.29882 hours remaining, 238.718750 MB of memory in use. ENERGY: 1228600 3951.9130 20445.7685 14402.7103 253.7844 -203427.7551 2578.4333 0.0000 0.0000 51794.5729 -110000.5727 297.6641 -161795.1457 -109628.9818 298.0130 -4.9670 23.6242 762268.7509 -2.8400 -3.0980 PRESSURE: 1228800 -175.361 80.5093 -103.903 80.5096 -220.725 76.5052 -103.903 76.5056 212.677 GPRESSURE: 1228800 -119.994 140.769 -82.995 115.591 -188.654 134.462 47.1242 90.5012 196.679 PRESSAVG: 1228800 3.46978 -9.84901 9.50288 -9.84906 -6.71921 -43.8119 9.5029 -43.8119 1.26119 GPRESSAVG: 1228800 3.64817 -10.2449 9.90709 -9.46068 -7.52136 -42.9847 12.4239 -43.0725 1.378 TIMING: 1228800 CPU: 3871.89, 0.00315668/step Wall: 3871.89, 0.00315668/step, 3.3068 hours remaining, 238.718750 MB of memory in use. ENERGY: 1228800 3918.8711 20574.9340 14424.7085 244.6435 -203164.2620 2216.0898 0.0000 0.0000 51957.0353 -109827.9798 298.5978 -161785.0151 -109463.1809 298.1165 -61.1361 -37.3234 760895.0911 -0.6627 -0.8317 PRESSURE: 1229000 -79.0848 4.34411 50.6635 4.34392 89.3955 63.7218 50.6636 63.7226 195.468 GPRESSURE: 1229000 -89.7364 -6.61418 76.709 46.8974 193.129 37.7642 79.3939 91.6244 190.658 PRESSAVG: 1229000 21.491 -22.5059 23.2866 -22.5059 11.6407 -46.1521 23.2866 -46.1521 -13.0264 GPRESSAVG: 1229000 21.4954 -24.6043 21.4517 -22.0155 11.8429 -45.8863 22.3473 -48.7521 -12.8607 TIMING: 1229000 CPU: 3872.52, 0.00314748/step Wall: 3872.52, 0.00314748/step, 3.29698 hours remaining, 238.718750 MB of memory in use. ENERGY: 1229000 4019.2493 20385.1097 14385.3555 269.2684 -203565.1850 2659.9905 0.0000 0.0000 51951.7927 -109894.4188 298.5677 -161846.2115 -109537.5736 298.8179 68.5929 98.0169 759668.7880 6.7017 6.8259 PRESSURE: 1229200 -279.151 266.139 -165.492 266.138 -10.6144 -205.419 -165.492 -205.42 -180.342 GPRESSURE: 1229200 -190.615 244.081 -146.591 209.148 -6.3593 -193.854 -117.191 -232.108 -190.844 PRESSAVG: 1229200 -19.4296 -5.92317 67.2199 -5.92322 17.1472 -20.4323 67.22 -20.4322 -1.82156 GPRESSAVG: 1229200 -18.7629 -3.2489 70.4223 -5.86273 15.3964 -20.8466 68.4849 -18.5073 -0.983318 TIMING: 1229200 CPU: 3873.16, 0.00316458/step Wall: 3873.16, 0.00316458/step, 3.31472 hours remaining, 238.718750 MB of memory in use. ENERGY: 1229200 4041.0095 20511.1504 14505.5819 245.3257 -203575.4186 2504.2315 0.0000 0.0000 52162.3082 -109605.8114 299.7775 -161768.1196 -109255.1870 298.7090 -156.7023 -129.2725 760590.4021 -1.3680 -1.4499 PRESSURE: 1229400 -323.405 -112.346 258.983 -112.346 167.501 -95.5738 258.983 -95.5736 -302.955 GPRESSURE: 1229400 -291.944 -205.259 242.499 -74.512 235.547 -118.882 150.012 -110.801 -328.829 PRESSAVG: 1229400 15.447 -10.2837 -10.5167 -10.2836 32.4416 -10.5166 -10.5166 -10.5166 -29.473 GPRESSAVG: 1229400 13.6312 -13.3506 -10.5768 -11.3537 33.9927 -10.0405 -13.2554 -9.99482 -30.1553 TIMING: 1229400 CPU: 3873.79, 0.00316622/step Wall: 3873.79, 0.00316622/step, 3.31626 hours remaining, 238.718750 MB of memory in use. ENERGY: 1229400 3996.6631 20599.5261 14376.6063 238.4803 -203065.8188 2105.4894 0.0000 0.0000 52182.8094 -109566.2442 299.8953 -161749.0536 -109210.1967 299.1605 -152.9532 -128.4083 761221.8952 6.1385 5.8229 PRESSURE: 1229600 -10.0379 -36.4796 -41.4166 -36.4793 -3.75509 -91.8851 -41.4163 -91.8853 -174.204 GPRESSURE: 1229600 -7.60672 -130.495 -2.38927 -86.1834 112.659 -53.6201 -52.2149 -70.0491 -209.063 PRESSAVG: 1229600 -35.0643 -8.94031 30.5248 -8.94033 3.88822 -37.9756 30.5248 -37.9757 -11.9318 GPRESSAVG: 1229600 -35.9247 -7.4203 29.5661 -7.72256 3.90413 -37.9649 29.8809 -38.6961 -11.3349 TIMING: 1229600 CPU: 3874.42, 0.00316927/step Wall: 3874.42, 0.00316927/step, 3.31928 hours remaining, 238.718750 MB of memory in use. ENERGY: 1229600 4004.8981 20461.4894 14395.7149 242.1168 -203092.1348 2457.6057 0.0000 0.0000 51879.3797 -109650.9302 298.1515 -161530.3099 -109281.6889 299.0012 -62.6658 -34.6705 760892.3931 -14.3693 -14.4518 PRESSURE: 1229800 28.8996 -57.5206 13.6237 -57.5203 124.533 60.9485 13.624 60.9492 15.4822 GPRESSURE: 1229800 81.9095 -141.734 52.0973 -82.2168 161.732 41.0108 -79.7709 1.55016 16.6025 PRESSAVG: 1229800 -85.5243 3.99054 61.7392 3.99054 47.0954 -28.5032 61.7392 -28.5032 -3.28983 GPRESSAVG: 1229800 -84.797 3.93135 61.5003 3.03475 46.1981 -27.9489 62.2096 -29.0178 -2.9709 TIMING: 1229800 CPU: 3875.06, 0.00318498/step Wall: 3875.06, 0.00318499/step, 3.33556 hours remaining, 238.718750 MB of memory in use. ENERGY: 1229800 3958.9452 20668.0053 14453.3839 244.0799 -203557.9205 2574.6351 0.0000 0.0000 51950.2674 -109708.6037 298.5589 -161658.8711 -109362.4462 298.8562 56.3050 86.7481 760665.5778 -13.9062 -13.8566 PRESSURE: 1230000 -279.881 18.0362 -112.414 18.0359 126.856 38.2713 -112.412 38.2709 -110.82 GPRESSURE: 1230000 -215.865 -7.52991 -65.9861 62.8379 62.2603 47.7194 -70.0264 151.893 -18.9532 PRESSAVG: 1230000 -18.8031 -35.5103 4.01511 -35.5103 1.05735 -4.66248 4.01516 -4.66247 -7.48197 GPRESSAVG: 1230000 -17.2149 -34.0863 3.38523 -36.712 1.02798 -6.71306 3.25986 -3.75639 -9.47732 TIMING: 1230000 CPU: 3875.69, 0.00317764/step Wall: 3875.69, 0.00317764/step, 3.3277 hours remaining, 238.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1230000 3922.5967 20396.5860 14449.0430 255.9739 -202957.7869 2434.8476 0.0000 0.0000 52065.9127 -109432.8271 299.2235 -161498.7397 -109064.9191 298.8631 -87.9483 -57.5191 761789.2963 -8.4092 -8.5547 PRESSURE: 1230200 69.9963 -89.4278 178.971 -89.4272 60.4739 -108.102 178.971 -108.1 514.419 GPRESSURE: 1230200 109.952 -90.2675 108.716 -176.839 160.71 -181.002 153.511 -123.825 476.382 PRESSAVG: 1230200 2.33005 -24.6092 56.6336 -24.6092 25.1525 -75.2889 56.6336 -75.2889 1.5104 GPRESSAVG: 1230200 1.95981 -25.6908 55.9388 -22.351 25.5112 -76.1152 59.0254 -75.568 2.29964 TIMING: 1230200 CPU: 3876.33, 0.0031638/step Wall: 3876.33, 0.0031638/step, 3.31302 hours remaining, 238.718750 MB of memory in use. ENERGY: 1230200 3960.7835 20450.0200 14420.3992 243.8585 -203179.0085 2630.2969 0.0000 0.0000 52244.9242 -109228.7262 300.2523 -161473.6504 -108870.1088 299.3996 214.9632 249.0144 759289.9271 9.6643 9.9236 PRESSURE: 1230400 183.26 56.4465 17.6792 56.4459 176.009 -92.2088 17.6789 -92.2083 331.063 GPRESSURE: 1230400 245.806 -59.4017 -7.87675 14.3163 146.289 -76.2183 34.648 -137.349 353.838 PRESSAVG: 1230400 44.0276 -22.7256 42.1346 -22.7256 22.1609 -21.3259 42.1346 -21.3259 -0.86936 GPRESSAVG: 1230400 42.9155 -22.813 42.5098 -24.0917 23.3234 -20.2702 39.3706 -22.6661 -1.63887 TIMING: 1230400 CPU: 3876.96, 0.00315948/step Wall: 3876.96, 0.00315948/step, 3.30833 hours remaining, 238.718750 MB of memory in use. ENERGY: 1230400 3945.6466 20482.8960 14401.1990 223.5186 -203268.9453 2538.4530 0.0000 0.0000 52428.9912 -109248.2408 301.3101 -161677.2320 -108891.9627 299.7664 230.1106 248.6442 759775.6854 21.7730 21.5333 PRESSURE: 1230600 -261.432 -150.693 -22.2987 -150.693 -36.4437 -218.451 -22.2978 -218.452 -378.64 GPRESSURE: 1230600 -240.84 -84.7677 -57.4869 -176.232 -45.8873 -188.158 -128.848 -265.877 -272.809 PRESSAVG: 1230600 -7.77268 -55.6611 -4.13971 -55.6612 15.4074 -29.4632 -4.13964 -29.4633 -8.43521 GPRESSAVG: 1230600 -6.68994 -55.3184 -4.31606 -53.243 14.7825 -30.4405 -0.836032 -27.3738 -8.3213 TIMING: 1230600 CPU: 3877.6, 0.00317775/step Wall: 3877.6, 0.00317775/step, 3.32728 hours remaining, 238.718750 MB of memory in use. ENERGY: 1230600 3994.6980 20336.8336 14470.3420 223.9757 -202862.7031 2520.5188 0.0000 0.0000 52005.0936 -109311.2414 298.8740 -161316.3351 -108941.5497 299.4469 -225.5053 -186.5123 762019.4662 -0.2668 -0.0763 PRESSURE: 1230800 284.016 -35.4274 -101.159 -35.428 -108.479 -66.7628 -101.158 -66.7638 53.4954 GPRESSURE: 1230800 284.977 7.42339 -95.4639 -55.1697 -64.8908 -64.9767 -95.7338 -148.834 91.7684 PRESSAVG: 1230800 -48.3482 -0.816843 -11.28 -0.816847 60.4539 -5.79342 -11.2801 -5.79341 -16.6514 GPRESSAVG: 1230800 -49.7284 -0.0867319 -11.086 -4.68308 60.5418 -4.17015 -12.6015 -8.30183 -15.604 TIMING: 1230800 CPU: 3878.23, 0.00316147/step Wall: 3878.23, 0.00316147/step, 3.31006 hours remaining, 238.718750 MB of memory in use. ENERGY: 1230800 3956.6592 20761.1983 14467.2512 242.6297 -203104.2417 2513.8440 0.0000 0.0000 51853.2399 -109309.4195 298.0013 -161162.6593 -108966.9094 299.5890 76.3440 103.9516 760760.2188 -1.5152 -1.5969 PRESSURE: 1231000 -27.8384 -47.7443 163.91 -47.7446 97.704 -115.974 163.91 -115.974 5.16652 GPRESSURE: 1231000 -53.0892 -79.9089 161.495 -72.0214 238.253 -73.0533 155.175 -145.736 -4.34053 PRESSAVG: 1231000 13.8955 -16.8594 -19.829 -16.8594 2.41665 -54.3365 -19.829 -54.3365 -3.86231 GPRESSAVG: 1231000 14.6226 -17.9117 -20.57 -14.022 2.46203 -53.7078 -19.203 -53.9933 -4.72617 TIMING: 1231000 CPU: 3878.86, 0.00314598/step Wall: 3878.86, 0.00314598/step, 3.29366 hours remaining, 238.718750 MB of memory in use. ENERGY: 1231000 3989.0068 20514.2084 14405.9547 250.8201 -203349.1994 2727.7207 0.0000 0.0000 52026.9718 -109434.5168 298.9997 -161461.4886 -109080.0129 299.4583 25.0107 60.2743 761859.6510 4.1499 4.1195 PRESSURE: 1231200 191.927 -33.584 -11.8273 -33.5832 23.8955 -45.3758 -11.8271 -45.3759 343.912 GPRESSURE: 1231200 157.99 42.4997 20.0812 -3.41921 116.337 -159.824 -86.9888 30.3975 343.471 PRESSAVG: 1231200 -6.5076 6.15914 35.4628 6.15914 30.3708 -39.5646 35.4628 -39.5646 7.52272 GPRESSAVG: 1231200 -7.36964 5.77787 35.9753 6.70432 30.9443 -39.9477 35.1176 -39.2115 8.21842 TIMING: 1231200 CPU: 3879.48, 0.00313967/step Wall: 3879.48, 0.00313967/step, 3.28688 hours remaining, 238.718750 MB of memory in use. ENERGY: 1231200 3911.4350 20475.4309 14408.8487 238.4218 -203031.8913 2605.7105 0.0000 0.0000 52033.6414 -109358.4030 299.0381 -161392.0444 -108991.5975 299.3440 186.5781 205.9327 762011.5397 10.4620 10.5977 PRESSURE: 1231400 297.996 -59.1571 106.181 -59.1554 -18.7121 179.714 106.18 179.714 -314.393 GPRESSURE: 1231400 377.374 -124.676 99.5084 -63.1571 -85.7412 125.485 28.3727 105.592 -231.425 PRESSAVG: 1231400 -26.1496 29.1306 -6.91739 29.1307 47.8871 -23.1594 -6.91735 -23.1594 -17.9136 GPRESSAVG: 1231400 -23.9391 29.952 -6.25966 29.1817 46.1859 -23.8299 -6.48701 -21.2382 -18.9097 TIMING: 1231400 CPU: 3880.12, 0.00318694/step Wall: 3880.12, 0.00318694/step, 3.33619 hours remaining, 238.718750 MB of memory in use. ENERGY: 1231400 4017.2900 20530.2587 14355.1573 247.1095 -202853.6387 2431.7684 0.0000 0.0000 52177.0107 -109095.0441 299.8620 -161272.0548 -108733.7096 300.1045 -11.7032 20.0693 762184.9626 1.2746 1.1124 PRESSURE: 1231600 -94.9645 199.705 366.827 199.705 106.814 189.364 366.827 189.363 -131.903 GPRESSURE: 1231600 -26.1653 314.839 297.722 187.43 184.924 204.19 243.114 265.398 -183.216 PRESSAVG: 1231600 22.7237 65.7691 32.9538 65.7691 -24.9548 -7.91541 32.9537 -7.91545 9.66153 GPRESSAVG: 1231600 22.4482 66.2245 31.8195 63.7282 -24.6725 -8.25308 31.5972 -9.16545 10.383 TIMING: 1231600 CPU: 3880.76, 0.0031724/step Wall: 3880.76, 0.0031724/step, 3.32079 hours remaining, 238.718750 MB of memory in use. ENERGY: 1231600 4077.5109 20420.2402 14353.5263 250.3812 -203311.8976 2753.3966 0.0000 0.0000 52321.9093 -109134.9331 300.6947 -161456.8424 -108772.4061 300.1811 -40.0176 -8.1523 761590.3434 2.4768 2.7195 PRESSURE: 1231800 -158.586 15.5171 -10.7804 15.5166 -33.6513 4.63147 -10.7802 4.63272 220.056 GPRESSURE: 1231800 -168.884 3.89747 46.5812 -60.2431 13.0769 -24.3187 -48.03 2.20163 265.903 PRESSAVG: 1231800 -9.08152 44.0832 11.4141 44.0833 1.58299 19.5731 11.4141 19.5732 -11.8164 GPRESSAVG: 1231800 -10.0268 43.8563 10.9851 45.287 2.30041 19.8558 12.2339 19.9276 -11.3438 TIMING: 1231800 CPU: 3881.39, 0.00317313/step Wall: 3881.39, 0.00317313/step, 3.32139 hours remaining, 238.718750 MB of memory in use. ENERGY: 1231800 4082.0166 20489.3798 14424.9343 255.0240 -203297.1638 2514.3889 0.0000 0.0000 52268.2046 -109263.2156 300.3861 -161531.4202 -108902.4049 299.9533 9.2729 36.6987 761238.3672 -6.4383 -6.3567 PRESSURE: 1232000 197.052 145.956 75.2402 145.956 156.636 -26.1795 75.2405 -26.1791 270.512 GPRESSURE: 1232000 181.879 186.782 102.693 75.5949 269.378 -70.0146 201.316 2.63388 261.353 PRESSAVG: 1232000 -45.3555 16.7159 -4.51933 16.716 8.63197 0.936673 -4.51933 0.936677 -1.54595 GPRESSAVG: 1232000 -44.2388 16.0059 -3.81452 16.1884 7.89486 -0.192296 -3.28898 1.19607 -1.76914 TIMING: 1232000 CPU: 3882.02, 0.0031539/step Wall: 3882.02, 0.0031539/step, 3.30108 hours remaining, 238.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1232000 3890.4389 20497.0212 14347.3407 241.9462 -203284.8716 2717.7224 0.0000 0.0000 52320.3573 -109270.0449 300.6858 -161590.4021 -108914.6555 299.8243 208.0667 237.5366 762076.8171 -12.7565 -12.7044 PRESSURE: 1232200 -274.351 29.7015 -87.102 29.7019 25.937 239.68 -87.1022 239.68 -119.444 GPRESSURE: 1232200 -274.81 39.1558 -47.8662 91.5558 68.2376 182.789 -298.53 311.416 -87.1878 PRESSAVG: 1232200 -21.7021 -1.69395 21.4644 -1.69404 44.6164 31.9052 21.4644 31.9052 25.5562 GPRESSAVG: 1232200 -22.2645 -2.19203 20.9223 -1.10382 44.8872 33.6874 20.2902 33.4208 25.3513 TIMING: 1232200 CPU: 3882.65, 0.00314163/step Wall: 3882.65, 0.00314163/step, 3.28807 hours remaining, 238.718750 MB of memory in use. ENERGY: 1232200 3978.6610 20567.4326 14404.9312 233.8505 -203294.1004 2555.2594 0.0000 0.0000 52172.3788 -109381.5869 299.8354 -161553.9658 -109007.2285 300.1494 -122.6194 -97.9201 762665.5003 16.1568 15.9914 LDB: ============= START OF LOAD BALANCING ============== 3895.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3895.05 LDB: =============== DONE WITH MIGRATION ================ 3895.05 LDB: ============= START OF LOAD BALANCING ============== 3895.36 LDB: Largest compute 7077 load 0.033501 is 17.1% of average load 0.196059 LDB: Average compute 0.004360 is 2.2% of average load 0.196059 LDB: TIME 3895.36 LOAD: AVG 0.196059 MAX 0.21454 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.629 MB LDB: TIME 3895.36 LOAD: AVG 0.196059 MAX 0.21454 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.629 MB LDB: TIME 3895.36 LOAD: AVG 0.196059 MAX 0.21454 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.629 MB LDB: ============== END OF LOAD BALANCING =============== 3895.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3895.37 PRESSURE: 1232400 -202.535 -83.8155 -5.72788 -83.8156 205.894 150.859 -5.72852 150.859 25.0236 GPRESSURE: 1232400 -164.317 -39.7697 0.81706 -23.2632 265.987 155.308 -5.35929 8.82774 34.9768 PRESSAVG: 1232400 -41.7845 -13.8863 34.7525 -13.8863 70.9662 45.3192 34.7525 45.3191 -14.3686 GPRESSAVG: 1232400 -40.7488 -14.1357 34.9464 -13.3193 70.8587 45.9585 34.218 40.3212 -14.9891 TIMING: 1232400 CPU: 3883.29, 0.00318873/step Wall: 3883.29, 0.00318873/step, 3.33718 hours remaining, 236.605469 MB of memory in use. ENERGY: 1232400 3936.2239 20468.8479 14312.8439 235.5745 -203381.8288 2684.8899 0.0000 0.0000 52224.9177 -109518.5310 300.1373 -161743.4487 -109150.4180 299.8456 9.4609 45.5489 760087.7018 4.9377 5.0403 PRESSURE: 1232600 -90.6634 -162.154 -108.153 -162.153 -230.853 -93.5969 -108.153 -93.5976 -144.607 GPRESSURE: 1232600 -64.9095 -117.361 -75.0185 -131.817 -181.951 -88.746 -95.786 -106.428 -114.901 PRESSAVG: 1232600 24.878 -46.8848 -11.5364 -46.8848 -23.0149 4.10551 -11.5364 4.10555 -21.4993 GPRESSAVG: 1232600 23.8432 -46.7944 -11.8353 -46.8009 -22.9531 3.52495 -11.3509 7.87728 -20.7455 TIMING: 1232600 CPU: 3883.91, 0.00312754/step Wall: 3883.91, 0.00312754/step, 3.27297 hours remaining, 236.808594 MB of memory in use. ENERGY: 1232600 3975.0192 20348.7125 14328.3244 242.6045 -202725.9775 2092.4551 0.0000 0.0000 52223.2105 -109515.6512 300.1275 -161738.8617 -109150.8949 299.4492 -155.3747 -120.5871 762110.6212 -6.5454 -6.6185 PRESSURE: 1232800 -264.016 130.753 -13.0193 130.754 -152.166 -316.226 -13.0193 -316.226 129.256 GPRESSURE: 1232800 -234.926 211.447 14.1531 93.3171 -35.494 -330.604 -99.6252 -336.618 66.9876 PRESSAVG: 1232800 3.1673 -35.0513 67.6052 -35.0513 9.38494 -23.5339 67.6052 -23.5339 -6.57867 GPRESSAVG: 1232800 2.74519 -33.5471 67.8543 -35.468 9.48446 -24.4108 67.6871 -24.3289 -6.38287 TIMING: 1232800 CPU: 3884.54, 0.00313227/step Wall: 3884.54, 0.00313227/step, 3.27774 hours remaining, 236.808594 MB of memory in use. ENERGY: 1232800 3926.8894 20598.8663 14381.3652 246.3046 -203271.7525 2478.1938 0.0000 0.0000 52191.6091 -109448.5240 299.9459 -161640.1331 -109087.1621 299.3398 -95.6419 -67.8107 763269.4948 1.9912 1.9489 PRESSURE: 1233000 9.8331 13.4649 -35.1848 13.4645 57.5486 -16.4591 -35.1848 -16.4598 104.253 GPRESSURE: 1233000 109.069 44.4797 34.1051 -125.501 60.9999 69.4751 -31.216 62.3423 90.8168 PRESSAVG: 1233000 38.3203 -4.26458 33.8693 -4.26456 -54.8409 34.9707 33.8693 34.9706 26.0523 GPRESSAVG: 1233000 37.0414 -3.13268 33.9174 -5.03108 -54.4015 35.5001 32.4937 35.4398 26.7119 TIMING: 1233000 CPU: 3885.17, 0.00315043/step Wall: 3885.17, 0.00315043/step, 3.29657 hours remaining, 236.808594 MB of memory in use. ENERGY: 1233000 4039.9922 20597.5623 14369.0536 237.8044 -203085.3989 2354.0402 0.0000 0.0000 52100.1468 -109386.7993 299.4203 -161486.9461 -109026.5615 299.7135 57.2115 86.9617 762180.5878 3.1772 3.1173 PRESSURE: 1233200 -209.355 132.432 -142.719 132.431 -44.8968 -88.5911 -142.719 -88.5912 76.3648 GPRESSURE: 1233200 -177.817 161.982 -150.476 182.463 -21.0347 -133.97 -46.2856 12.2968 103.128 PRESSAVG: 1233200 11.0214 -15.4945 -18.958 -15.4946 22.2546 37.2504 -18.9579 37.2503 -21.0888 GPRESSAVG: 1233200 12.3859 -17.3069 -18.7214 -14.9514 22.279 36.7113 -20.6066 35.3561 -22.1215 TIMING: 1233200 CPU: 3885.8, 0.00314437/step Wall: 3885.8, 0.00314437/step, 3.29006 hours remaining, 236.808594 MB of memory in use. ENERGY: 1233200 3966.8577 20475.9242 14437.4860 244.7954 -203663.0167 2769.5575 0.0000 0.0000 52255.3490 -109513.0469 300.3122 -161768.3958 -109149.6473 299.4313 -59.2958 -31.9078 761180.6435 4.0624 4.1811 PRESSURE: 1233400 -146.997 229.402 -252.506 229.402 -213.85 -121.275 -252.507 -121.274 -37.1329 GPRESSURE: 1233400 -73.4358 262.499 -225.923 159.693 -192.894 -106.593 -119.305 29.0832 -37.688 PRESSAVG: 1233400 -8.37636 -2.76002 23.0585 -2.76002 5.71448 0.459577 23.0585 0.459669 6.65344 GPRESSAVG: 1233400 -8.47897 -3.40837 22.951 -2.20369 5.08145 0.609731 24.3853 2.70077 7.69401 TIMING: 1233400 CPU: 3886.43, 0.00315217/step Wall: 3886.43, 0.00315217/step, 3.29804 hours remaining, 236.808594 MB of memory in use. ENERGY: 1233400 4006.4748 20540.3304 14426.7693 221.2848 -202982.7822 2249.4246 0.0000 0.0000 52129.7829 -109408.7155 299.5906 -161538.4985 -109043.6750 299.5767 -132.6599 -101.3393 761139.7604 1.3305 1.4322 PRESSURE: 1233600 -38.4806 200.048 -210.205 200.048 -26.1439 17.7466 -210.204 17.747 348.478 GPRESSURE: 1233600 -85.7224 194.999 -178.326 183.81 91.9715 -29.2453 -129.641 10.5886 374.136 PRESSAVG: 1233600 -16.676 -16.8629 2.70226 -16.8629 34.4836 40.305 2.70223 40.3051 -25.8927 GPRESSAVG: 1233600 -15.9177 -15.2428 1.16726 -16.9018 34.3492 42.2613 5.2741 39.1428 -26.7663 TIMING: 1233600 CPU: 3887.06, 0.00315608/step Wall: 3887.06, 0.00315608/step, 3.30196 hours remaining, 236.808594 MB of memory in use. ENERGY: 1233600 3986.3643 20584.6650 14399.7382 247.1139 -202727.0949 2326.8611 0.0000 0.0000 51885.6277 -109296.7248 298.1874 -161182.3525 -108933.2759 299.4477 94.6178 126.7950 761043.7529 -2.6950 -2.7783 PRESSURE: 1233800 14.5395 -11.0809 -66.5848 -11.0815 -363.194 -11.7801 -66.5848 -11.7786 -491.913 GPRESSURE: 1233800 35.7554 -54.2222 -31.1147 -43.5372 -303.835 -76.297 -65.9086 -39.9906 -496.773 PRESSAVG: 1233800 1.60301 28.4292 12.9292 28.4291 -8.95211 -10.5129 12.9292 -10.5129 9.16614 GPRESSAVG: 1233800 2.01057 27.6455 13.8717 27.8831 -8.67033 -12.4135 11.4476 -9.17876 8.38516 TIMING: 1233800 CPU: 3887.69, 0.00314364/step Wall: 3887.69, 0.00314364/step, 3.28877 hours remaining, 236.808594 MB of memory in use. ENERGY: 1233800 4004.2025 20506.3705 14393.4364 238.9278 -203370.9122 2439.9521 0.0000 0.0000 52447.0645 -109340.9584 301.4140 -161788.0229 -108977.1910 299.8499 -280.1891 -254.9509 761341.1796 0.6057 0.5751 PRESSURE: 1234000 -425.533 -60.0872 199.772 -60.0879 -493.105 184.428 199.772 184.429 -386.229 GPRESSURE: 1234000 -374.631 -95.4724 142.531 -55.8435 -452.047 167.665 153.036 208.341 -404.869 PRESSAVG: 1234000 45.149 23.681 11.9711 23.681 -40.2223 -65.858 11.9711 -65.8579 -3.15399 GPRESSAVG: 1234000 43.9705 22.8867 12.4773 23.6042 -39.6145 -64.3357 11.0624 -64.9545 -2.71343 TIMING: 1234000 CPU: 3888.32, 0.00315174/step Wall: 3888.32, 0.00315174/step, 3.29707 hours remaining, 236.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1234000 4062.5585 20593.8209 14416.4784 247.5371 -202937.0543 2203.8817 0.0000 0.0000 52172.7842 -109239.9934 299.8377 -161412.7776 -108874.1297 299.8570 -434.9558 -410.5156 761543.9247 0.5909 0.5475 PRESSURE: 1234200 -209.137 -167.617 -215.167 -167.617 -311.579 234.424 -215.167 234.424 -461.352 GPRESSURE: 1234200 -48.7966 -166.261 -128.208 -96.9339 -400.204 353.706 -212.148 203.664 -425.103 PRESSAVG: 1234200 32.6338 -36.8309 63.0352 -36.8309 9.63177 -9.03753 63.0352 -9.03756 10.4878 GPRESSAVG: 1234200 33.2932 -37.2748 62.4311 -33.5766 8.91227 -9.88644 64.0454 -11.6969 11.1837 TIMING: 1234200 CPU: 3888.95, 0.00313818/step Wall: 3888.95, 0.00313818/step, 3.28271 hours remaining, 236.808594 MB of memory in use. ENERGY: 1234200 4124.2166 20689.6252 14521.3108 251.5142 -203530.2851 2635.8955 0.0000 0.0000 52137.7678 -109169.9551 299.6365 -161307.7229 -108810.3619 300.1878 -327.3560 -291.3678 761563.9353 17.5844 17.7964 PRESSURE: 1234400 39.1706 25.3802 150.673 25.3798 -231.163 -88.4685 150.673 -88.4693 -104.45 GPRESSURE: 1234400 72.9593 9.41942 215.281 63.4791 -227.442 -86.1913 108.822 -160.301 -59.1475 PRESSAVG: 1234400 36.5698 22.9423 37.1966 22.9424 -5.2871 -44.4932 37.1966 -44.4932 -19.528 GPRESSAVG: 1234400 36.3745 23.0413 36.9674 21.2212 -5.15871 -43.9591 38.0032 -42.0156 -19.4598 TIMING: 1234400 CPU: 3889.58, 0.00316475/step Wall: 3889.58, 0.00316475/step, 3.31033 hours remaining, 236.808594 MB of memory in use. ENERGY: 1234400 4016.5675 20367.3124 14489.9461 221.9370 -203385.9346 2578.4141 0.0000 0.0000 52220.4689 -109491.2886 300.1118 -161711.7575 -109125.3286 300.0568 -98.8140 -71.2101 760802.0326 3.9182 3.9187 PRESSURE: 1234600 14.4534 45.7025 199.561 45.7028 -76.0951 -145.645 199.56 -145.643 -290.061 GPRESSURE: 1234600 65.1569 41.2258 214.066 28.5242 -46.7255 -211.706 114.593 -55.7252 -276.736 PRESSAVG: 1234600 -1.71115 35.6435 29.3637 35.6436 -60.6343 -3.22092 29.3637 -3.22097 -18.012 GPRESSAVG: 1234600 -1.83464 35.9946 28.5506 33.9316 -60.2116 -4.02262 29.8099 -1.79939 -18.688 TIMING: 1234600 CPU: 3890.22, 0.00317528/step Wall: 3890.22, 0.00317528/step, 3.32117 hours remaining, 236.808594 MB of memory in use. ENERGY: 1234600 3959.3561 20576.9204 14425.5216 240.2959 -203069.2843 2356.1734 0.0000 0.0000 52179.0793 -109331.9376 299.8739 -161511.0169 -108965.7699 299.7557 -117.2343 -86.1016 763048.4272 -26.7858 -26.9114 PRESSURE: 1234800 -348.459 -27.2625 70.7047 -27.2622 -384.222 -20.5572 70.7049 -20.5575 125.666 GPRESSURE: 1234800 -271.599 -31.8453 -35.6877 -155.502 -313.169 -42.0935 99.2616 -115.2 61.9898 PRESSAVG: 1234800 -4.63556 -25.7345 41.5308 -25.7345 2.05726 22.1638 41.5308 22.1638 -15.0206 GPRESSAVG: 1234800 -5.11439 -23.7619 43.0891 -26.6315 1.9514 23.2506 41.903 19.9306 -13.9688 TIMING: 1234800 CPU: 3890.85, 0.00317356/step Wall: 3890.85, 0.00317356/step, 3.31919 hours remaining, 236.808594 MB of memory in use. ENERGY: 1234800 4038.5037 20578.6442 14410.0937 249.4339 -202907.6192 2219.9171 0.0000 0.0000 52206.1031 -109204.9236 300.0292 -161411.0267 -108840.3580 300.2075 -202.3387 -174.2596 764158.8300 -5.8663 -5.7106 PRESSURE: 1235000 57.0021 33.7454 183.126 33.7454 2.44584 -250.377 183.126 -250.376 103.262 GPRESSURE: 1235000 165.727 5.25681 209.755 9.99206 9.5011 -201.853 148.879 -251.341 60.5058 PRESSAVG: 1235000 -23.8872 -30.3386 27.1499 -30.3386 23.9184 11.9255 27.1499 11.9256 5.38357 GPRESSAVG: 1235000 -25.2852 -31.3615 28.3671 -29.1269 25.5102 11.768 24.952 10.2328 4.82963 TIMING: 1235000 CPU: 3891.48, 0.00315272/step Wall: 3891.48, 0.00315272/step, 3.29722 hours remaining, 236.808594 MB of memory in use. ENERGY: 1235000 4049.6368 20591.4074 14460.4179 237.3141 -203155.2097 2519.8213 0.0000 0.0000 52263.8644 -109032.7479 300.3611 -161296.6122 -108676.3970 300.3581 54.2368 78.5779 762013.8912 1.8049 1.6849 PRESSURE: 1235200 -44.7593 -132.69 -273.873 -132.69 -242.339 186.215 -273.873 186.215 329.239 GPRESSURE: 1235200 -35.8208 -106.124 -291.089 -143.558 -180.391 164.558 -155.842 239.011 325.508 PRESSAVG: 1235200 -1.3351 -28.6546 -1.70255 -28.6546 -0.115327 -6.28819 -1.70264 -6.28814 -4.88488 GPRESSAVG: 1235200 -0.321245 -30.9901 -2.81228 -26.0294 -0.767874 -7.56348 -0.0919573 -4.00266 -4.16794 TIMING: 1235200 CPU: 3892.11, 0.00315717/step Wall: 3892.11, 0.00315717/step, 3.3017 hours remaining, 236.808594 MB of memory in use. ENERGY: 1235200 4061.6510 20516.0658 14454.9365 262.0690 -203033.6334 2520.3150 0.0000 0.0000 52169.1964 -109049.3999 299.8171 -161218.5963 -108691.5331 300.1069 14.0469 36.4320 762878.0921 -2.1118 -1.7524 PRESSURE: 1235400 -194.541 -105.531 -350.978 -105.531 -25.877 121.196 -350.978 121.197 245.223 GPRESSURE: 1235400 -93.4369 -141.792 -408.666 -75.7959 -5.55741 123.648 -296.247 62.1272 210.302 PRESSAVG: 1235400 34.9738 -64.5632 -55.1203 -64.5632 -36.465 -48.0141 -55.1202 -48.014 6.16022 GPRESSAVG: 1235400 34.6637 -61.5471 -56.4136 -67.8699 -36.335 -48.749 -55.5136 -48.3005 6.58488 TIMING: 1235400 CPU: 3892.74, 0.00314899/step Wall: 3892.74, 0.00314899/step, 3.29297 hours remaining, 236.808594 MB of memory in use. ENERGY: 1235400 4026.4552 20550.5838 14449.8779 252.5504 -203449.4584 2825.0659 0.0000 0.0000 52178.8421 -109166.0832 299.8725 -161344.9252 -108795.5387 299.8009 8.2682 37.1024 762708.6797 1.5563 1.6379 PRESSURE: 1235600 -269.67 -77.17 53.3819 -77.1695 -258.522 284.067 53.3818 284.067 243.44 GPRESSURE: 1235600 -221.846 -85.49 190.065 -40.131 -148.463 209.226 103.128 279.235 168.658 PRESSAVG: 1235600 -3.59289 -49.0114 40.3281 -49.0114 -18.1747 21.2551 40.3281 21.2551 -2.76025 GPRESSAVG: 1235600 -2.25629 -49.4929 42.704 -47.2067 -19.0716 23.1847 40.5403 20.5988 -3.34488 TIMING: 1235600 CPU: 3893.37, 0.0031326/step Wall: 3893.37, 0.00313261/step, 3.27566 hours remaining, 236.808594 MB of memory in use. ENERGY: 1235600 4016.5447 20623.0823 14460.2957 244.4099 -203450.7635 2700.2591 0.0000 0.0000 52087.7420 -109318.4298 299.3490 -161406.1718 -108960.5054 299.6825 -94.9173 -67.2172 761967.1084 -8.1759 -8.2243 PRESSURE: 1235800 -145.355 -267.342 175.791 -267.343 -155.148 4.37396 175.791 4.37394 -133.689 GPRESSURE: 1235800 -90.6087 -124.344 84.5117 -240.548 -152.691 14.9489 169.887 61.2695 -100.617 PRESSAVG: 1235800 16.695 -22.4405 15.3815 -22.4405 -13.7923 -3.39372 15.3815 -3.39369 0.763969 GPRESSAVG: 1235800 15.5471 -20.3147 12.6591 -23.8698 -13.374 -5.13056 14.5921 -2.79174 1.14362 TIMING: 1235800 CPU: 3894, 0.00316865/step Wall: 3894, 0.00316865/step, 3.31318 hours remaining, 236.808594 MB of memory in use. ENERGY: 1235800 3956.0591 20515.3575 14447.1983 245.9740 -202878.8761 2371.0429 0.0000 0.0000 52004.7082 -109338.5360 298.8718 -161343.2443 -108983.6265 299.4614 -144.7307 -114.6388 762553.8137 1.2222 1.1056 PRESSURE: 1236000 -12.842 63.3611 -230.065 63.3617 -177.967 -237.13 -230.066 -237.129 11.5884 GPRESSURE: 1236000 -94.7032 -172.562 -72.4009 129.163 -98.6244 -198.999 -150.652 -136.644 84.0213 PRESSAVG: 1236000 62.0105 -37.9939 -12.0455 -37.9939 -73.1967 -43.1496 -12.0455 -43.1496 34.5246 GPRESSAVG: 1236000 60.7872 -41.8092 -10.148 -37.322 -73.3484 -41.7607 -11.2396 -43.6599 34.9775 TIMING: 1236000 CPU: 3894.64, 0.00318141/step Wall: 3894.64, 0.00318141/step, 3.32634 hours remaining, 236.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1236000 3956.6606 20715.6069 14493.6993 254.1016 -203357.2516 2652.6062 0.0000 0.0000 51978.9663 -109305.6106 298.7238 -161284.5769 -108950.7317 299.8952 -59.7403 -36.4355 763321.1454 7.7795 7.4721 PRESSURE: 1236200 109.755 -74.682 -27.7684 -74.6811 113.147 -208.576 -27.7682 -208.575 -284.197 GPRESSURE: 1236200 143.387 -69.235 -52.5735 -29.2549 7.94642 -223.93 -51.5988 -224.047 -151.321 PRESSAVG: 1236200 35.1591 -53.3673 24.5936 -53.3673 -45.0999 -85.2641 24.5937 -85.264 0.0114654 GPRESSAVG: 1236200 36.674 -53.0526 23.2759 -51.9953 -47.1929 -85.7814 25.4232 -82.9982 0.448142 TIMING: 1236200 CPU: 3895.27, 0.00316781/step Wall: 3895.27, 0.00316781/step, 3.31195 hours remaining, 236.808594 MB of memory in use. ENERGY: 1236200 4063.6877 20490.0126 14463.1187 235.8228 -202919.5974 2413.3117 0.0000 0.0000 51783.6609 -109469.9830 297.6014 -161253.6439 -109113.4967 299.7983 -20.4316 0.0042 762480.4092 -3.3098 -3.3569 LDB: ============= START OF LOAD BALANCING ============== 3907.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3907.67 LDB: =============== DONE WITH MIGRATION ================ 3907.67 LDB: ============= START OF LOAD BALANCING ============== 3907.99 LDB: Largest compute 7077 load 0.033707 is 17.2% of average load 0.195963 LDB: Average compute 0.004380 is 2.2% of average load 0.195963 LDB: TIME 3907.99 LOAD: AVG 0.195963 MAX 0.212673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.371 MB LDB: TIME 3907.99 LOAD: AVG 0.195963 MAX 0.212673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.41 MB LDB: TIME 3907.99 LOAD: AVG 0.195963 MAX 0.212673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3908 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3908 PRESSURE: 1236400 -116.829 -111.639 76.0471 -111.639 -49.0717 -115.487 76.0474 -115.487 -285.977 GPRESSURE: 1236400 -43.404 -188.164 16.2413 -119.83 3.48966 -160.045 27.1178 -99.6876 -340.642 PRESSAVG: 1236400 49.7842 -55.9474 -36.518 -55.9474 -21.7642 -57.2728 -36.5181 -57.2727 3.16816 GPRESSAVG: 1236400 50.1639 -55.8809 -37.3696 -58.7385 -19.4358 -57.2279 -38.0231 -58.9391 0.699978 TIMING: 1236400 CPU: 3895.92, 0.00323597/step Wall: 3895.92, 0.00323597/step, 3.38303 hours remaining, 237.832031 MB of memory in use. ENERGY: 1236400 4102.4114 20361.9405 14458.7821 251.0902 -203359.0999 2583.1922 0.0000 0.0000 51978.4060 -109623.2775 298.7206 -161601.6835 -109263.6357 299.0148 -150.6258 -126.8522 761342.9922 10.3961 10.4760 PRESSURE: 1236600 -76.1089 66.1731 52.0793 66.1735 13.1767 -202.533 52.0794 -202.533 -291.049 GPRESSURE: 1236600 -49.3577 83.4475 -9.95433 103.437 78.8068 -149.111 -6.32212 -137.268 -305.408 PRESSAVG: 1236600 47.8074 -5.76496 -21.7402 -5.76501 -33.8741 -24.216 -21.7401 -24.216 33.6921 GPRESSAVG: 1236600 48.1804 -5.03805 -20.3613 -5.4184 -34.775 -23.3348 -19.4747 -25.9476 34.2955 TIMING: 1236600 CPU: 3896.55, 0.00316818/step Wall: 3896.55, 0.00316818/step, 3.31198 hours remaining, 237.832031 MB of memory in use. ENERGY: 1236600 4008.2257 20341.4787 14483.3977 248.0570 -203336.2427 2570.3269 0.0000 0.0000 51989.7365 -109695.0202 298.7857 -161684.7568 -109336.8029 298.5391 -117.9936 -91.9863 762209.5227 15.8751 15.9003 PRESSURE: 1236800 -126.529 17.7927 177.673 17.7923 1.52671 181.23 177.673 181.23 -117.979 GPRESSURE: 1236800 -113.985 69.4446 178.519 -29.1678 -2.71492 75.944 288.516 50.4983 -48.0612 PRESSAVG: 1236800 23.6053 -5.99986 10.6196 -5.9999 -19.8834 -41.7955 10.6196 -41.7954 -11.2098 GPRESSAVG: 1236800 23.4798 -6.71329 11.5489 -6.18236 -19.3676 -43.3362 8.86234 -39.6728 -11.3177 TIMING: 1236800 CPU: 3897.19, 0.00316793/step Wall: 3897.19, 0.00316793/step, 3.31154 hours remaining, 237.832031 MB of memory in use. ENERGY: 1236800 3984.7988 20627.4891 14475.9355 248.3195 -203434.6894 2598.3482 0.0000 0.0000 52014.8195 -109484.9789 298.9299 -161499.7983 -109121.5075 299.2807 -80.9939 -54.9203 762127.1253 -2.4960 -2.4018 PRESSURE: 1237000 -80.5338 -245.805 -47.1268 -245.806 -14.169 81.943 -47.1278 81.9425 -143.754 GPRESSURE: 1237000 -86.3316 -292.121 -56.4318 -150.02 35.7342 171.857 50.4218 61.2437 -116.428 PRESSAVG: 1237000 21.8579 -7.43417 13.7398 -7.43418 -28.7359 -24.4497 13.7398 -24.4497 22.7814 GPRESSAVG: 1237000 21.82 -7.12472 13.1922 -5.52757 -27.934 -24.7799 13.2529 -25.2237 22.2411 TIMING: 1237000 CPU: 3897.82, 0.00315972/step Wall: 3897.82, 0.00315972/step, 3.30278 hours remaining, 237.832031 MB of memory in use. ENERGY: 1237000 3957.5413 20644.1696 14476.5135 240.0574 -203296.1414 2603.7466 0.0000 0.0000 51721.5195 -109652.5935 297.2443 -161374.1130 -109284.1102 298.9149 -79.4858 -55.6751 762837.3793 5.3011 5.3757 PRESSURE: 1237200 110.107 33.6235 53.2085 33.6233 -133.881 34.4727 53.2081 34.4728 -194.414 GPRESSURE: 1237200 248.513 -67.8116 95.5424 52.1233 -201.325 -23.1568 11.2847 -20.1618 -152.034 PRESSAVG: 1237200 29.2521 2.11035 25.4726 2.11044 -40.9818 -63.8086 25.4726 -63.8086 -18.5321 GPRESSAVG: 1237200 29.166 1.90807 25.4841 1.49479 -41.1956 -63.9196 27.6156 -62.0495 -17.6988 TIMING: 1237200 CPU: 3898.45, 0.00315494/step Wall: 3898.45, 0.00315494/step, 3.29761 hours remaining, 237.832031 MB of memory in use. ENERGY: 1237200 3926.2629 20493.4612 14434.4728 246.1160 -203199.8715 2320.4750 0.0000 0.0000 52106.7605 -109672.3230 299.4583 -161779.0835 -109312.3061 298.6545 -72.7292 -34.9489 761016.3560 -10.0873 -9.9095 PRESSURE: 1237400 41.7711 -255.891 35.5602 -255.89 79.8971 -75.5726 35.5592 -75.5731 52.9908 GPRESSURE: 1237400 18.3918 -191.3 -65.4059 -261.618 219.47 -86.4248 199.54 -49.5849 37.623 PRESSAVG: 1237400 24.5323 -46.7231 -6.67286 -46.7231 -40.1332 4.71866 -6.67293 4.71859 -20.4947 GPRESSAVG: 1237400 23.3484 -45.5263 -7.34519 -49.1287 -40.2862 5.99197 -6.10135 4.4998 -19.4417 TIMING: 1237400 CPU: 3899.08, 0.00315878/step Wall: 3899.08, 0.00315878/step, 3.30145 hours remaining, 237.832031 MB of memory in use. ENERGY: 1237400 3969.2903 20392.2114 14470.7046 253.0040 -203357.2685 2595.0764 0.0000 0.0000 52081.6483 -109595.3336 299.3139 -161676.9819 -109237.3059 299.2485 58.2196 91.8283 760763.6705 -12.0319 -12.1265 PRESSURE: 1237600 -10.8278 -85.3556 98.9825 -85.3562 59.9344 -186.9 98.9815 -186.9 114.263 GPRESSURE: 1237600 81.7199 53.6801 116.639 -85.7342 8.22604 -181.979 162.754 -59.4708 168.748 PRESSAVG: 1237600 45.566 -1.30347 -17.1406 -1.30354 1.34445 -18.4245 -17.1407 -18.4245 22.1326 GPRESSAVG: 1237600 46.2834 -2.34108 -15.9945 0.203876 0.996924 -21.0596 -19.3851 -17.6092 21.482 TIMING: 1237600 CPU: 3899.72, 0.0031918/step Wall: 3899.72, 0.0031918/step, 3.33579 hours remaining, 237.832031 MB of memory in use. ENERGY: 1237600 3886.8271 20563.6353 14475.5940 250.6895 -203105.8256 2306.1483 0.0000 0.0000 51956.4421 -109666.4893 298.5944 -161622.9315 -109297.4676 298.8313 54.4567 86.2314 760356.0207 23.0143 22.9208 PRESSURE: 1237800 -217.062 -115.644 -225.622 -115.644 -155.23 -107.135 -225.622 -107.136 -141.931 GPRESSURE: 1237800 -131.308 -232.604 -219.426 -81.7579 -177.163 -64.2362 -66.0519 -107.018 -136.213 PRESSAVG: 1237800 -20.1997 -53.9633 3.07647 -53.9633 2.03082 -23.0876 3.07647 -23.0876 -8.05121 GPRESSAVG: 1237800 -19.4029 -53.8555 2.477 -53.6117 1.94623 -19.8485 2.54213 -24.6298 -8.79799 TIMING: 1237800 CPU: 3900.35, 0.00317352/step Wall: 3900.35, 0.00317352/step, 3.3165 hours remaining, 237.832031 MB of memory in use. ENERGY: 1237800 4058.2349 20546.3434 14391.5239 234.2917 -203060.3544 2394.8073 0.0000 0.0000 51939.1376 -109496.0156 298.4949 -161435.1532 -109141.3660 299.5445 -171.4075 -148.2279 760870.9156 -8.7400 -8.7516 PRESSURE: 1238000 22.0009 -3.57265 98.0761 -3.57399 104.898 -60.1619 98.0758 -60.162 307.675 GPRESSURE: 1238000 92.8943 16.2559 141.991 -36.5196 119.248 -161.127 199.515 -3.81763 320.789 PRESSAVG: 1238000 9.0163 -2.95059 -8.64111 -2.95058 -21.9527 -11.1505 -8.64111 -11.1505 1.50908 GPRESSAVG: 1238000 9.26509 -3.40519 -10.23 -1.36055 -22.4247 -12.6395 -6.54322 -11.7673 2.31871 TIMING: 1238000 CPU: 3900.99, 0.00316174/step Wall: 3900.99, 0.00316174/step, 3.30402 hours remaining, 237.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1238000 3888.9918 20528.1270 14511.6540 234.3034 -203282.9714 2570.8303 0.0000 0.0000 51893.4805 -109655.5844 298.2325 -161549.0649 -109296.1555 299.3755 144.8579 177.6437 760241.4065 -3.8091 -3.6136 PRESSURE: 1238200 102.195 -6.85114 -38.0317 -6.85006 -28.3663 -7.085 -38.032 -7.0847 -98.2414 GPRESSURE: 1238200 125.507 -48.2638 2.24714 -89.3274 -8.45437 34.3811 -5.70572 4.9654 -64.2946 PRESSAVG: 1238200 -1.63055 -31.3622 -71.6572 -31.3621 -33.0518 -68.4974 -71.6572 -68.4974 13.3791 GPRESSAVG: 1238200 -0.977298 -28.6665 -69.9609 -33.248 -33.6716 -67.4609 -73.1984 -67.9777 13.3736 TIMING: 1238200 CPU: 3901.62, 0.00315656/step Wall: 3901.62, 0.00315656/step, 3.29843 hours remaining, 237.832031 MB of memory in use. ENERGY: 1238200 3936.2480 20680.6100 14379.5952 248.9034 -203662.1867 2749.9202 0.0000 0.0000 51970.0053 -109696.9044 298.6723 -161666.9097 -109347.5384 299.5161 -8.1376 17.5860 760845.1881 -7.1011 -7.0918 PRESSURE: 1238400 1.45347 -107.648 -42.3502 -107.648 2.00286 -113.641 -42.3506 -113.641 211.495 GPRESSURE: 1238400 197.43 -39.8361 -81.3378 -149.234 -47.1713 -49.9969 -37.1147 -232.269 155.126 PRESSAVG: 1238400 64.9572 -29.3425 5.81115 -29.3424 -62.3616 -33.4815 5.81117 -33.4815 3.30113 GPRESSAVG: 1238400 64.0394 -32.5863 6.10021 -28.0797 -61.6762 -33.3519 4.78321 -32.9914 3.28871 TIMING: 1238400 CPU: 3902.25, 0.00314468/step Wall: 3902.25, 0.00314468/step, 3.28584 hours remaining, 237.832031 MB of memory in use. ENERGY: 1238400 4003.8665 20373.8894 14450.5073 241.3067 -203623.1059 2841.8073 0.0000 0.0000 52060.5271 -109651.2017 299.1926 -161711.7287 -109281.6782 298.8334 71.6504 101.7950 761017.9500 1.9656 1.8840 PRESSURE: 1238600 -402.726 -70.6413 -36.8588 -70.6406 111.729 56.7777 -36.8582 56.7772 -447.884 GPRESSURE: 1238600 -327.935 -16.8329 7.37351 -78.4518 88.4841 11.4306 -56.4418 0.962186 -403.746 PRESSAVG: 1238600 -31.8738 -40.9641 7.0339 -40.9641 -2.71723 -15.5132 7.03384 -15.5133 2.65317 GPRESSAVG: 1238600 -30.9823 -39.4249 7.39058 -40.5874 -3.24053 -16.1451 6.59845 -17.5457 2.76539 TIMING: 1238600 CPU: 3902.88, 0.00317062/step Wall: 3902.88, 0.00317062/step, 3.31277 hours remaining, 237.832031 MB of memory in use. ENERGY: 1238600 3927.3831 20322.2330 14496.8412 233.3506 -203233.8427 2293.6311 0.0000 0.0000 52261.7425 -109698.6612 300.3490 -161960.4037 -109318.7995 298.9097 -246.2938 -214.3989 760930.9350 -10.6460 -10.4858 PRESSURE: 1238800 341.028 219.799 -3.00233 219.8 -41.4841 108.6 -3.00229 108.6 455.736 GPRESSURE: 1238800 422.552 161.391 5.63837 71.4221 -5.42082 40.5663 81.9507 117.732 401.148 PRESSAVG: 1238800 31.496 15.0916 11.5156 15.0916 -14.0523 26.3497 11.5155 26.3498 5.61025 GPRESSAVG: 1238800 31.8088 14.5632 9.71048 13.1905 -13.3879 24.2887 15.1129 30.4271 5.16881 TIMING: 1238800 CPU: 3903.52, 0.00317684/step Wall: 3903.52, 0.00317684/step, 3.31909 hours remaining, 237.832031 MB of memory in use. ENERGY: 1238800 3988.1942 20657.4207 14422.3239 256.0569 -203509.7167 2554.7505 0.0000 0.0000 52124.4333 -109506.5373 299.5598 -161630.9706 -109149.5265 298.9430 251.7598 272.7597 761127.5964 7.6847 7.8632 PRESSURE: 1239000 -55.2366 -100.453 -125.278 -100.453 86.0227 61.8759 -125.279 61.8757 -305.58 GPRESSURE: 1239000 -62.3773 -98.224 -73.3425 -108.46 162.169 33.1413 -134.597 199.887 -297.355 PRESSAVG: 1239000 -18.774 -3.54697 -28.0823 -3.54699 51.5212 31.1006 -28.0823 31.1005 -8.94395 GPRESSAVG: 1239000 -19.9849 -3.13423 -28.3391 0.0366527 51.9226 32.8725 -29.639 29.6238 -8.73864 TIMING: 1239000 CPU: 3904.15, 0.00318069/step Wall: 3904.15, 0.00318069/step, 3.32294 hours remaining, 237.832031 MB of memory in use. ENERGY: 1239000 3972.0189 20484.5937 14343.6243 252.3696 -203757.6382 2621.6587 0.0000 0.0000 52438.7370 -109644.6361 301.3661 -162083.3731 -109281.0202 299.7073 -91.5980 -65.8545 761253.0430 7.9344 7.7330 PRESSURE: 1239200 175.627 -231.737 -100.502 -231.736 255.7 -102.242 -100.502 -102.241 131.517 GPRESSURE: 1239200 129.553 -209.971 -49.8249 -221.454 385.589 -102.161 -130.912 -141.096 125.502 PRESSAVG: 1239200 36.4836 4.56522 7.71105 4.56525 -32.6473 31.4481 7.71106 31.4482 -14.8195 GPRESSAVG: 1239200 37.019 4.6417 8.22918 2.80499 -31.6783 31.5025 8.63252 31.1961 -15.2422 TIMING: 1239200 CPU: 3904.78, 0.00314864/step Wall: 3904.78, 0.00314864/step, 3.28928 hours remaining, 237.832031 MB of memory in use. ENERGY: 1239200 4007.9255 20478.9794 14489.1050 242.9412 -203789.3100 2836.0205 0.0000 0.0000 52105.5809 -109628.7574 299.4515 -161734.3383 -109271.9838 299.4841 187.6149 213.5482 759677.8570 -3.6611 -3.3005 PRESSURE: 1239400 -19.1763 89.1607 -107.539 89.1618 6.86011 248.044 -107.538 248.044 55.9912 GPRESSURE: 1239400 -16.8813 33.864 -116.421 14.5571 45.4053 226.611 45.1339 164.766 97.5787 PRESSAVG: 1239400 53.5996 -34.8108 25.0715 -34.811 -26.9448 0.708869 25.0715 0.708789 -8.39561 GPRESSAVG: 1239400 52.6842 -32.6978 23.7126 -36.915 -27.3133 1.52091 21.4469 -1.58088 -8.00727 TIMING: 1239400 CPU: 3905.41, 0.00316501/step Wall: 3905.41, 0.00316501/step, 3.3062 hours remaining, 237.832031 MB of memory in use. ENERGY: 1239400 3956.9345 20557.4422 14416.9069 241.6624 -203226.7092 2438.9501 0.0000 0.0000 51885.4997 -109729.3133 298.1867 -161614.8130 -109360.6069 299.0850 14.5583 42.0343 761060.3633 6.0864 5.7879 PRESSURE: 1239600 2.0361 -16.9484 -9.9502 -16.9473 -355.006 56.9584 -9.9493 56.9578 458.076 GPRESSURE: 1239600 38.333 -64.3894 -43.4695 94.1936 -324.44 127.379 -30.57 44.944 463.811 PRESSAVG: 1239600 -40.9502 -58.3889 31.6884 -58.3888 15.9355 45.3881 31.6884 45.388 -1.74276 GPRESSAVG: 1239600 -39.9174 -61.5869 32.7533 -57.0427 14.6612 44.6298 35.1581 46.3539 -1.79531 TIMING: 1239600 CPU: 3906.05, 0.00316939/step Wall: 3906.05, 0.00316939/step, 3.3106 hours remaining, 237.832031 MB of memory in use. ENERGY: 1239600 3941.2027 20589.5765 14426.1732 250.2571 -203323.9659 2503.4773 0.0000 0.0000 51974.8480 -109638.4311 298.7002 -161613.2791 -109278.4803 298.9125 35.0354 59.2346 760531.2014 -8.9192 -9.0172 PRESSURE: 1239800 -158.77 -162.362 117.921 -162.362 -220.068 26.9568 117.92 26.9566 -28.4702 GPRESSURE: 1239800 -75.0631 -93.0427 114.548 -141.208 -189.67 -76.5081 173.689 -45.7727 -59.2313 PRESSAVG: 1239800 12.6446 -58.825 22.048 -58.8251 -27.2139 -43.189 22.048 -43.1891 1.41812 GPRESSAVG: 1239800 11.7946 -57.0916 21.5427 -58.8985 -25.43 -42.4072 20.4236 -42.8188 0.947853 TIMING: 1239800 CPU: 3906.68, 0.00317216/step Wall: 3906.68, 0.00317216/step, 3.31333 hours remaining, 237.832031 MB of memory in use. ENERGY: 1239800 4074.9959 20258.9633 14529.8422 238.9075 -203681.7936 2841.8814 0.0000 0.0000 52188.1144 -109549.0888 299.9258 -161737.2032 -109188.1264 299.4914 -135.7694 -107.9883 761343.6519 -4.3837 -4.2292 PRESSURE: 1240000 -128.561 113.59 -252.593 113.591 -129.259 -128.557 -252.593 -128.558 290.731 GPRESSURE: 1240000 -92.4178 115.6 -309.143 -12.6832 -96.0646 -139.507 -338.102 -84.0596 299.762 PRESSAVG: 1240000 -52.2877 -42.9339 -27.8866 -42.934 25.1083 -2.95007 -27.8865 -2.95007 15.5541 GPRESSAVG: 1240000 -51.1136 -43.3786 -27.5992 -41.5922 25.1952 -3.55246 -28.6665 -2.98809 14.4959 TIMING: 1240000 CPU: 3907.32, 0.00316774/step Wall: 3907.32, 0.00316774/step, 3.30853 hours remaining, 237.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1240000 4028.0090 20483.7634 14486.6587 262.7423 -203397.6971 2549.8178 0.0000 0.0000 52066.5373 -109520.1686 299.2271 -161586.7059 -109166.5574 299.2810 10.9706 37.0933 761867.8938 -3.8751 -3.8075 PRESSURE: 1240200 -99.8795 171.164 -107.162 171.164 131.454 -219.777 -107.161 -219.778 509.392 GPRESSURE: 1240200 -6.0852 155.908 43.4247 189.122 127.774 -183.425 52.9133 -127.007 500.355 PRESSAVG: 1240200 47.3427 -36.3411 -5.72669 -36.3411 -6.05512 -22.1615 -5.72672 -22.1615 6.16861 GPRESSAVG: 1240200 47.9189 -35.1767 -5.01292 -36.8074 -7.09595 -22.1246 -5.89422 -21.5685 6.51839 TIMING: 1240200 CPU: 3907.95, 0.00316465/step Wall: 3907.95, 0.00316465/step, 3.30512 hours remaining, 237.832031 MB of memory in use. ENERGY: 1240200 3990.4873 20402.7512 14527.9671 265.3145 -203731.2610 2857.5380 0.0000 0.0000 52120.1187 -109567.0841 299.5350 -161687.2028 -109197.1000 299.1044 180.3221 207.3481 760650.8564 15.8187 15.7804 LDB: ============= START OF LOAD BALANCING ============== 3920.35 LDB: ============== END OF LOAD BALANCING =============== 3920.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3920.35 LDB: ============= START OF LOAD BALANCING ============== 3920.67 LDB: Largest compute 7077 load 0.034249 is 17.5% of average load 0.195927 LDB: Average compute 0.004367 is 2.2% of average load 0.195927 LDB: TIME 3920.67 LOAD: AVG 0.195927 MAX 0.213693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.602 MB LDB: TIME 3920.67 LOAD: AVG 0.195927 MAX 0.213693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.602 MB LDB: TIME 3920.67 LOAD: AVG 0.195927 MAX 0.213693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.602 MB LDB: ============== END OF LOAD BALANCING =============== 3920.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3920.68 PRESSURE: 1240400 -170.431 33.4387 -72.5435 33.4385 -135.959 -38.7222 -72.5428 -38.7228 -189.497 GPRESSURE: 1240400 -245.946 18.0747 -37.2612 -114.32 -54.8708 -35.1281 -228.859 -83.6639 -105.505 PRESSAVG: 1240400 11.4735 3.33531 -30.9188 3.33527 1.38667 6.21791 -30.9188 6.21785 -3.95099 GPRESSAVG: 1240400 10.6434 3.42516 -31.8455 2.38804 1.8948 5.85931 -29.2362 6.80554 -3.03097 TIMING: 1240400 CPU: 3908.6, 0.00324276/step Wall: 3908.6, 0.00324276/step, 3.38653 hours remaining, 237.832031 MB of memory in use. ENERGY: 1240400 3998.0773 20548.3928 14478.5088 259.8114 -203045.0381 2335.0212 0.0000 0.0000 51916.7320 -109508.4946 298.3662 -161425.2266 -109152.4165 298.9711 -165.2955 -135.4405 762489.8780 2.9697 3.1691 PRESSURE: 1240600 -234.208 68.5313 64.5388 68.5322 127.167 -24.0392 64.5387 -24.0392 112.456 GPRESSURE: 1240600 -139.739 58.7001 138.391 45.0741 184.609 -142.624 118.842 -36.5248 35.8874 PRESSAVG: 1240600 -7.91875 -47.1938 23.1279 -47.1938 14.5609 -44.4734 23.1279 -44.4734 30.4041 GPRESSAVG: 1240600 -6.5889 -47.172 24.1655 -48.7788 13.1355 -45.7194 21.7662 -44.1888 29.9506 TIMING: 1240600 CPU: 3909.23, 0.0031583/step Wall: 3909.23, 0.0031583/step, 3.29814 hours remaining, 237.871094 MB of memory in use. ENERGY: 1240600 3975.3364 20456.8491 14436.2401 250.5945 -202769.9131 2136.5186 0.0000 0.0000 51905.5778 -109608.7966 298.3021 -161514.3744 -109238.9276 299.0188 1.8049 26.9192 762931.1753 12.3487 12.1658 PRESSURE: 1240800 -145.779 -68.8215 192.388 -68.8214 5.57261 -0.124096 192.388 -0.123919 -147.569 GPRESSURE: 1240800 -109.018 -150.374 227.021 -74.6632 28.2829 -36.8294 103.382 -77.906 -99.1798 PRESSAVG: 1240800 -12.3165 -26.7116 76.1013 -26.7116 -32.2994 -2.47542 76.1013 -2.47532 -5.47453 GPRESSAVG: 1240800 -12.1812 -26.5662 75.9638 -25.6041 -32.3368 -1.84638 76.3827 -2.9533 -5.25853 TIMING: 1240800 CPU: 3909.86, 0.00316977/step Wall: 3909.86, 0.00316977/step, 3.30994 hours remaining, 237.871094 MB of memory in use. ENERGY: 1240800 3970.8399 20310.3407 14408.5235 244.9404 -202821.6250 2369.3206 0.0000 0.0000 51932.3140 -109585.3460 298.4557 -161517.6600 -109233.7403 298.6394 -95.9251 -59.9715 762605.6662 -16.6968 -16.5922 PRESSURE: 1241000 144.017 -63.8234 -44.5685 -63.8232 -149.825 16.4938 -44.5688 16.4953 -154.76 GPRESSURE: 1241000 111.835 -41.6774 -43.2393 -88.6837 -89.7416 41.6478 -49.9627 -38.708 -124.257 PRESSAVG: 1241000 13.1734 -76.2414 -31.8082 -76.2415 -7.99664 -18.7251 -31.8083 -18.725 1.88152 GPRESSAVG: 1241000 11.6049 -77.1224 -30.3839 -75.8204 -6.76533 -17.5814 -33.2931 -19.2261 2.35502 TIMING: 1241000 CPU: 3910.5, 0.00317542/step Wall: 3910.5, 0.00317542/step, 3.31567 hours remaining, 237.871094 MB of memory in use. ENERGY: 1241000 3920.1840 20377.7237 14463.5723 246.4658 -203003.6914 2329.6379 0.0000 0.0000 51880.6018 -109785.5059 298.1585 -161666.1077 -109421.4474 298.5860 -53.5224 -34.0547 759991.1520 2.3528 2.3982 PRESSURE: 1241200 -45.2242 -61.298 233.92 -61.2968 152.996 138.895 233.92 138.894 -210.119 GPRESSURE: 1241200 -29.9356 -134.977 238.757 27.8178 196.641 156.753 178.286 -85.7711 -176.632 PRESSAVG: 1241200 -37.0279 -60.4736 -46.5673 -60.4736 47.9339 -31.6398 -46.5673 -31.6398 -15.9712 GPRESSAVG: 1241200 -37.1514 -58.0648 -49.2108 -60.6063 48.1197 -31.1854 -44.7162 -32.1895 -15.7755 TIMING: 1241200 CPU: 3911.13, 0.00316995/step Wall: 3911.13, 0.00316995/step, 3.30978 hours remaining, 238.074219 MB of memory in use. ENERGY: 1241200 3949.2805 20414.6296 14414.2380 243.3507 -203082.2226 2275.7956 0.0000 0.0000 51831.9497 -109952.9785 297.8789 -161784.9282 -109594.8746 298.2530 -34.1155 -3.3087 761943.2375 -1.6884 -1.6024 PRESSURE: 1241400 88.5331 -300.077 -33.4436 -300.078 143.102 91.9872 -33.4447 91.9872 181.187 GPRESSURE: 1241400 122.837 -270.884 -55.1202 -141.763 123.126 59.7688 12.4081 216.009 237.113 PRESSAVG: 1241400 -26.0415 -23.8201 -70.6675 -23.8201 51.1957 77.2473 -70.6676 77.2472 8.78319 GPRESSAVG: 1241400 -24.4013 -26.2222 -71.1273 -23.0071 50.5596 75.965 -70.0071 77.5591 7.43641 TIMING: 1241400 CPU: 3911.76, 0.00315849/step Wall: 3911.76, 0.00315849/step, 3.29764 hours remaining, 238.074219 MB of memory in use. ENERGY: 1241400 3883.5984 20348.8008 14463.1880 247.6666 -203192.2592 2321.2355 0.0000 0.0000 52154.6222 -109773.1477 299.7333 -161927.7699 -109423.3018 298.5560 137.6074 161.0257 761225.0699 11.3125 11.1983 PRESSURE: 1241600 -94.7137 -78.5623 278.117 -78.5622 173.225 -80.4663 278.118 -80.4663 -276.072 GPRESSURE: 1241600 -137.724 -34.8227 214.727 -56.5215 280.727 -39.9051 286.866 -65.3992 -239.656 PRESSAVG: 1241600 -32.8713 10.742 16.0244 10.742 64.6456 -30.5508 16.0244 -30.5509 4.6239 GPRESSAVG: 1241600 -34.2039 8.76272 17.1676 11.1663 65.2074 -29.1386 12.9643 -31.3048 5.77849 TIMING: 1241600 CPU: 3912.4, 0.00315447/step Wall: 3912.4, 0.00315447/step, 3.29326 hours remaining, 238.074219 MB of memory in use. ENERGY: 1241600 3975.3644 20264.6147 14404.7651 242.3554 -203173.1007 2457.1181 0.0000 0.0000 51957.2913 -109871.5916 298.5993 -161828.8829 -109517.2607 298.6963 -65.8536 -32.2178 761264.9491 12.1327 12.2607 PRESSURE: 1241800 -3.0846 45.3275 182.224 45.3276 160.657 -261.629 182.225 -261.628 440.23 GPRESSURE: 1241800 82.4701 26.2004 303.978 -103.283 157.5 -184.706 89.5472 -345.261 432.926 PRESSAVG: 1241800 0.916666 -37.872 -38.7287 -37.872 -38.4975 -16.1584 -38.7287 -16.1584 -5.71079 GPRESSAVG: 1241800 1.46016 -36.8441 -40.5434 -37.9378 -39.4059 -17.7766 -34.9133 -15.033 -5.64748 TIMING: 1241800 CPU: 3913.03, 0.00317137/step Wall: 3913.03, 0.00317137/step, 3.31073 hours remaining, 238.074219 MB of memory in use. ENERGY: 1241800 3911.2627 20303.2966 14407.9847 239.4322 -203544.6483 2772.1585 0.0000 0.0000 51964.0735 -109946.4402 298.6382 -161910.5137 -109579.7967 298.4931 199.2674 224.2987 759839.6022 -14.4305 -14.5311 PRESSURE: 1242000 -8.22677 92.4999 -111.119 92.4998 -262.91 -174.526 -111.12 -174.527 -308.82 GPRESSURE: 1242000 -36.4671 98.1743 -83.586 51.9123 -205.712 -171.646 -41.2204 -266.188 -252.204 PRESSAVG: 1242000 -62.8384 -42.948 -18.1303 -42.948 61.4102 -55.1036 -18.1303 -55.1036 9.02907 GPRESSAVG: 1242000 -63.3975 -40.6676 -16.3673 -45.2214 62.9922 -55.402 -20.8908 -52.8871 7.57222 TIMING: 1242000 CPU: 3913.66, 0.00315759/step Wall: 3913.66, 0.00315759/step, 3.29618 hours remaining, 238.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1242000 3966.9644 20409.6518 14430.5406 251.2213 -203298.9182 2570.0793 0.0000 0.0000 51939.4831 -109730.9778 298.4969 -161670.4609 -109369.7092 298.3349 -193.3189 -164.7943 761524.8480 2.5336 2.3890 PRESSURE: 1242200 -100.314 24.9323 -100.426 24.9327 -336.769 95.2185 -100.427 95.2187 -170.98 GPRESSURE: 1242200 -48.9761 63.2013 -92.4481 -69.8665 -344.803 -2.97495 -49.6596 167.068 -114.528 PRESSAVG: 1242200 -17.2129 5.75108 -64.9109 5.75108 53.2378 20.2774 -64.9109 20.2774 -21.1302 GPRESSAVG: 1242200 -15.6355 5.10237 -67.0982 7.37713 51.7731 20.3556 -62.2462 17.433 -21.0835 TIMING: 1242200 CPU: 3914.29, 0.00315417/step Wall: 3914.29, 0.00315417/step, 3.29243 hours remaining, 238.074219 MB of memory in use. ENERGY: 1242200 3979.2042 20537.8449 14378.8774 246.8038 -202811.2951 2205.2641 0.0000 0.0000 51834.1204 -109629.1801 297.8914 -161463.3005 -109279.5171 298.9189 -202.6876 -169.4356 761973.2193 4.9649 5.0180 PRESSURE: 1242400 -39.0392 -321.126 10.4389 -321.126 17.7549 82.1763 10.4394 82.177 299.747 GPRESSURE: 1242400 52.4689 -273.616 -45.676 -166.003 63.4499 85.0076 97.1198 13.8893 260.232 PRESSAVG: 1242400 16.6262 -33.1133 -23.0094 -33.1134 19.9393 50.5505 -23.0094 50.5505 27.6384 GPRESSAVG: 1242400 15.4691 -32.1041 -22.1989 -33.5452 20.559 52.2689 -23.9275 52.1339 28.4643 TIMING: 1242400 CPU: 3914.92, 0.00315266/step Wall: 3914.92, 0.00315266/step, 3.29068 hours remaining, 238.074219 MB of memory in use. ENERGY: 1242400 3949.4071 20469.2310 14426.1495 233.0141 -203212.3234 2634.0916 0.0000 0.0000 51892.3429 -109608.0873 298.2260 -161500.4302 -109239.5054 298.9739 92.8207 125.3835 761987.7830 21.4013 21.4975 PRESSURE: 1242600 3.5215 -189.085 102.005 -189.085 194.211 -0.694636 102.005 -0.694994 301.274 GPRESSURE: 1242600 62.5199 -239.345 68.2827 -63.2728 174.64 30.3548 234.637 24.151 350.325 PRESSAVG: 1242600 -4.3021 -30.4641 13.8255 -30.4642 -34.2078 -35.2802 13.8255 -35.2802 14.1542 GPRESSAVG: 1242600 -3.59154 -31.7389 15.173 -28.1271 -33.5916 -36.4956 13.566 -34.8787 13.1071 TIMING: 1242600 CPU: 3915.55, 0.00314798/step Wall: 3915.55, 0.00314798/step, 3.28561 hours remaining, 238.074219 MB of memory in use. ENERGY: 1242600 3903.0533 20238.9034 14411.3606 260.0183 -203933.3468 3123.2205 0.0000 0.0000 52186.5387 -109810.2520 299.9168 -161996.7907 -109447.4124 298.8378 166.3355 195.8285 760948.8456 -8.1186 -8.0254 PRESSURE: 1242800 -134.942 -118.258 -248.676 -118.257 65.5434 -111.278 -248.675 -111.278 439.018 GPRESSURE: 1242800 -70.3445 -170.296 -235.022 -104.923 81.516 -91.1136 -197.509 -25.5625 449.116 PRESSAVG: 1242800 10.3669 -47.1282 40.2316 -47.1283 -33.4212 -34.8312 40.2316 -34.8312 12.6678 GPRESSAVG: 1242800 10.085 -48.2889 40.0191 -47.0284 -33.6679 -34.6597 41.1097 -35.2246 14.2142 TIMING: 1242800 CPU: 3916.18, 0.00316346/step Wall: 3916.18, 0.00316346/step, 3.3016 hours remaining, 238.074219 MB of memory in use. ENERGY: 1242800 4014.2930 20306.6467 14427.1946 235.8634 -203224.6689 2372.8677 0.0000 0.0000 52116.4055 -109751.3979 299.5137 -161867.8034 -109379.1805 298.6551 123.2064 153.4291 759964.0349 -3.4622 -3.1229 PRESSURE: 1243000 -183.425 -15.6325 51.7321 -15.6317 -109.51 10.9756 51.7324 10.9754 -284.228 GPRESSURE: 1243000 -139.21 -63.3036 56.2218 -47.3961 -81.5171 -55.6362 -65.2275 91.5896 -262.563 PRESSAVG: 1243000 -32.2635 -27.9705 7.57717 -27.9705 -40.7467 -10.1665 7.57717 -10.1665 -10.6232 GPRESSAVG: 1243000 -31.532 -26.2326 5.98485 -30.5202 -40.6971 -12.0563 8.71487 -10.0371 -11.2364 TIMING: 1243000 CPU: 3916.82, 0.00316239/step Wall: 3916.82, 0.00316239/step, 3.3003 hours remaining, 238.074219 MB of memory in use. ENERGY: 1243000 3948.2294 20292.1431 14412.5212 244.1770 -203308.6579 2700.6466 0.0000 0.0000 51951.8326 -109759.1081 298.5679 -161710.9407 -109405.6713 298.4941 -192.3876 -161.0965 762170.5907 -27.8778 -27.8218 PRESSURE: 1243200 286.107 94.7568 -331.887 94.7569 269.468 63.7413 -331.887 63.7406 -31.6275 GPRESSURE: 1243200 303.58 149.428 -288.59 53.4805 292.76 97.4439 -297.141 16.4856 19.8362 PRESSAVG: 1243200 57.4115 -16.9711 3.91133 -16.9711 -19.9797 -10.7928 3.9113 -10.7928 23.4717 GPRESSAVG: 1243200 57.9407 -15.863 5.18541 -19.5981 -20.1847 -8.16859 1.97886 -11.0014 22.7352 TIMING: 1243200 CPU: 3917.45, 0.00315631/step Wall: 3917.45, 0.00315631/step, 3.29378 hours remaining, 238.074219 MB of memory in use. ENERGY: 1243200 3911.3813 20368.5912 14385.2174 251.1381 -203197.8522 2614.6313 0.0000 0.0000 51792.4026 -109874.4903 297.6516 -161666.8929 -109526.9317 298.1166 174.6491 205.3922 760456.1138 20.3011 20.1637 PRESSURE: 1243400 435.934 48.7972 77.3548 48.798 362.402 -61.6235 77.3553 -61.6241 310.969 GPRESSURE: 1243400 391.553 -91.7198 176.585 119.338 456.694 -26.3096 105.882 -68.6058 358.476 PRESSAVG: 1243400 -23.1662 -7.5759 -17.8709 -7.57592 38.474 8.25561 -17.8709 8.25554 7.4803 GPRESSAVG: 1243400 -24.8405 -11.19 -17.3028 -4.14422 40.6473 6.31138 -18.2913 8.39592 7.62883 TIMING: 1243400 CPU: 3918.08, 0.00315128/step Wall: 3918.08, 0.00315128/step, 3.28836 hours remaining, 238.074219 MB of memory in use. ENERGY: 1243400 3939.7596 20316.7813 14399.4177 244.3154 -203807.6475 2957.8268 0.0000 0.0000 52144.2056 -109805.3410 299.6735 -161949.5467 -109447.9646 298.0724 369.7681 402.2408 761002.8122 7.5960 7.8119 PRESSURE: 1243600 1.9543 114.22 241.06 114.22 224.236 -144.521 241.059 -144.521 118.691 GPRESSURE: 1243600 92.4311 131.509 184.375 57.0842 226.75 -16.9399 211.832 -92.9021 108.631 PRESSAVG: 1243600 -12.5688 -96.9356 15.5232 -96.9356 3.08541 38.3208 15.5231 38.3208 32.8008 GPRESSAVG: 1243600 -11.591 -93.8797 15.3426 -98.5683 2.29115 38.3515 15.8872 37.5305 33.2728 TIMING: 1243600 CPU: 3918.71, 0.0031706/step Wall: 3918.71, 0.0031706/step, 3.30834 hours remaining, 238.074219 MB of memory in use. ENERGY: 1243600 3884.4762 20487.3196 14414.0450 263.5422 -203500.0081 2532.4857 0.0000 0.0000 52011.9539 -109906.1854 298.9134 -161918.1394 -109545.8571 298.1845 114.9603 142.6042 761831.5565 7.7724 7.9910 PRESSURE: 1243800 -306.183 -162.449 62.2841 -162.448 65.5579 -169.5 62.2842 -169.502 75.2412 GPRESSURE: 1243800 -231.524 -67.0473 121.144 -75.0257 82.7928 -184.834 130.743 -60.6232 78.7489 PRESSAVG: 1243800 35.8972 -50.1846 -21.0062 -50.1846 -68.3925 51.0798 -21.0061 51.0798 -27.8276 GPRESSAVG: 1243800 35.0048 -50.7829 -21.2329 -51.0403 -68.8381 51.3471 -21.1394 52.4159 -26.2193 TIMING: 1243800 CPU: 3919.35, 0.00316029/step Wall: 3919.35, 0.00316029/step, 3.29742 hours remaining, 238.074219 MB of memory in use. ENERGY: 1243800 3958.1816 20390.8439 14362.0714 229.7251 -203469.9889 2434.2312 0.0000 0.0000 52064.8785 -110030.0571 299.2176 -162094.9356 -109667.6133 298.6622 -55.1279 -23.3274 763448.1541 -20.1076 -20.0175 PRESSURE: 1244000 -157.879 -7.28934 -267.385 -7.29026 -208.563 -204.251 -267.385 -204.251 -116.269 GPRESSURE: 1244000 -134.649 10.7992 -231.328 -46.1928 -188.066 -266.147 -290.805 -236.888 -75.4197 PRESSAVG: 1244000 -7.66174 -9.91386 -27.8227 -9.91385 -7.84795 -33.7912 -27.8228 -33.7912 -2.44436 GPRESSAVG: 1244000 -6.46592 -12.4193 -29.0086 -5.32005 -7.01374 -33.1627 -27.0338 -34.4046 -4.53109 TIMING: 1244000 CPU: 3919.98, 0.00317586/step Wall: 3919.98, 0.00317586/step, 3.31348 hours remaining, 238.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1244000 3945.7767 20357.7523 14397.9983 252.0603 -203113.7416 2284.7167 0.0000 0.0000 52025.9535 -109849.4839 298.9939 -161875.4374 -109492.5103 298.1170 -160.9037 -132.7115 761750.2642 -5.9847 -6.0036 PRESSURE: 1244200 -89.0407 -185.468 -106.484 -185.468 -69.2285 96.75 -106.484 96.7503 -198.371 GPRESSURE: 1244200 -100.006 -2.5559 -81.5056 -128.024 -29.7153 91.0024 -88.9545 110.539 -134.485 PRESSAVG: 1244200 48.2557 -31.5793 -57.3092 -31.5794 -7.35703 -47.5307 -57.3092 -47.5308 2.96436 GPRESSAVG: 1244200 47.2641 -30.7009 -55.9511 -32.0051 -8.42274 -48.3233 -58.0799 -48.3208 4.49863 TIMING: 1244200 CPU: 3920.61, 0.00316529/step Wall: 3920.61, 0.00316529/step, 3.30227 hours remaining, 238.074219 MB of memory in use. ENERGY: 1244200 3955.3343 20376.1223 14453.4160 250.3935 -203469.4843 2607.2299 0.0000 0.0000 52098.3583 -109728.6301 299.4100 -161826.9884 -109350.4273 298.5787 -118.8799 -88.0686 759608.7331 14.6210 14.4467 LDB: ============= START OF LOAD BALANCING ============== 3933.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3933.01 LDB: =============== DONE WITH MIGRATION ================ 3933.01 LDB: ============= START OF LOAD BALANCING ============== 3933.33 LDB: Largest compute 7077 load 0.033715 is 17.2% of average load 0.195876 LDB: Average compute 0.004371 is 2.2% of average load 0.195876 LDB: TIME 3933.33 LOAD: AVG 0.195876 MAX 0.214133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.602 MB LDB: TIME 3933.33 LOAD: AVG 0.195876 MAX 0.214133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.668 MB LDB: TIME 3933.33 LOAD: AVG 0.195876 MAX 0.214133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.668 MB LDB: ============== END OF LOAD BALANCING =============== 3933.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3933.34 PRESSURE: 1244400 -135.251 196.63 98.4506 196.63 -239.465 -60.5756 98.4511 -60.5742 202.987 GPRESSURE: 1244400 -75.6549 98.3177 -16.3673 245.996 -167.233 6.23989 62.4086 -15.4296 158.045 PRESSAVG: 1244400 130.853 -26.1387 -14.4035 -26.1386 -108.421 -34.8059 -14.4035 -34.806 22.38 GPRESSAVG: 1244400 130.934 -26.292 -14.6964 -26.3033 -108.436 -33.6995 -15.9051 -33.2823 21.7426 TIMING: 1244400 CPU: 3921.26, 0.00322033/step Wall: 3921.26, 0.00322033/step, 3.35952 hours remaining, 237.832031 MB of memory in use. ENERGY: 1244400 3967.8119 20367.1968 14496.9057 241.0527 -203315.3168 2512.8360 0.0000 0.0000 51971.1912 -109758.3225 298.6792 -161729.5138 -109402.8148 298.6115 -57.2431 -28.2812 760668.1572 14.9373 14.7466 PRESSURE: 1244600 202.269 -245.928 -30.5206 -245.928 -320.074 -58.8118 -30.5208 -58.8109 106.695 GPRESSURE: 1244600 186.162 -145.4 36.796 -208.358 -239.174 -146.2 -31.1217 -24.6774 130.284 PRESSAVG: 1244600 62.5381 -86.8769 -30.643 -86.8769 -19.2656 -17.7291 -30.643 -17.729 -6.75674 GPRESSAVG: 1244600 62.5024 -86.1756 -31.2747 -88.302 -19.3192 -18.0867 -29.0248 -19.7166 -5.79304 TIMING: 1244600 CPU: 3921.89, 0.00315431/step Wall: 3921.89, 0.00315431/step, 3.29047 hours remaining, 238.132812 MB of memory in use. ENERGY: 1244600 3997.6857 20396.0167 14490.6411 238.6380 -203366.1786 2566.9716 0.0000 0.0000 51908.0872 -109768.1382 298.3165 -161676.2254 -109414.1210 298.7415 -3.7032 25.7575 759430.1312 12.1719 12.4634 PRESSURE: 1244800 -99.5153 84.949 121.778 84.9483 -58.1481 -44.5739 121.779 -44.5748 -48.5392 GPRESSURE: 1244800 -47.8407 168.899 171.432 95.9383 -68.482 -103.504 35.5743 61.971 -19.7714 PRESSAVG: 1244800 27.6189 -18.8012 -22.5178 -18.8011 -63.5566 -3.26467 -22.5179 -3.26467 -22.5556 GPRESSAVG: 1244800 27.4544 -19.0945 -22.8833 -17.0775 -63.9358 -4.97932 -20.0989 -2.21471 -22.2886 TIMING: 1244800 CPU: 3922.52, 0.00318029/step Wall: 3922.52, 0.00318029/step, 3.3174 hours remaining, 238.132812 MB of memory in use. ENERGY: 1244800 3968.1664 20513.1401 14471.2542 248.1579 -203239.3536 2439.8500 0.0000 0.0000 51925.5465 -109673.2384 298.4168 -161598.7848 -109319.4153 299.0463 -68.7342 -45.3647 762320.4388 -19.4978 -19.5900 PRESSURE: 1245000 -16.5428 -41.9111 -232.486 -41.9112 -174.818 -66.0341 -232.486 -66.0322 -60.1166 GPRESSURE: 1245000 44.0804 -71.878 -217.896 -119.748 -98.9903 -152.541 -221.426 -119.914 -97.4839 PRESSAVG: 1245000 35.8148 -13.5326 -4.39716 -13.5327 20.3959 -1.90006 -4.39715 -1.90002 12.5689 GPRESSAVG: 1245000 35.6429 -12.8218 -3.47426 -15.8145 21.6079 -2.26573 -6.64854 -2.09654 11.1295 TIMING: 1245000 CPU: 3923.16, 0.00318144/step Wall: 3923.16, 0.00318144/step, 3.31842 hours remaining, 238.132812 MB of memory in use. ENERGY: 1245000 4019.7895 20388.2252 14403.4725 258.0075 -203466.9150 2728.9363 0.0000 0.0000 52006.1816 -109662.3023 298.8802 -161668.4839 -109295.1886 298.6662 -83.8257 -50.7980 764079.9761 22.9265 22.7935 PRESSURE: 1245200 -123.308 52.3708 -168.187 52.3712 -385.842 -25.3368 -168.186 -25.3375 -238.894 GPRESSURE: 1245200 -57.5292 -78.2368 -109.342 -80.9919 -360.524 78.8413 -188.359 23.0743 -242.273 PRESSAVG: 1245200 28.0198 22.6892 -22.9256 22.6893 -23.5851 -8.20692 -22.9256 -8.20692 -7.1964 GPRESSAVG: 1245200 28.7468 21.1982 -21.5109 24.2855 -24.5168 -7.29599 -22.597 -9.59514 -6.89917 TIMING: 1245200 CPU: 3923.79, 0.00317029/step Wall: 3923.79, 0.00317029/step, 3.30661 hours remaining, 238.132812 MB of memory in use. ENERGY: 1245200 3993.2085 20592.7080 14366.6864 236.1154 -203149.9307 2243.5177 0.0000 0.0000 51883.0985 -109834.5962 298.1729 -161717.6947 -109472.7644 298.0284 -249.3481 -220.1087 762680.7177 -0.9206 -0.8897 PRESSURE: 1245400 89.2438 47.9283 55.3069 47.9282 -63.7089 -174.737 55.3071 -174.737 195.19 GPRESSURE: 1245400 191.952 -107.707 -71.8134 131.251 -11.2932 -194.66 103.853 -250.969 140.905 PRESSAVG: 1245400 25.2995 -16.6223 13.4076 -16.6223 -10.0676 42.0596 13.4076 42.0596 -2.68186 GPRESSAVG: 1245400 27.2028 -15.7988 13.6679 -14.9648 -10.1786 42.3308 12.5203 42.9338 -4.18378 TIMING: 1245400 CPU: 3924.43, 0.00317248/step Wall: 3924.43, 0.00317248/step, 3.30872 hours remaining, 238.132812 MB of memory in use. ENERGY: 1245400 4038.8745 20422.5480 14503.4625 250.3114 -203518.4405 2614.9530 0.0000 0.0000 51725.1526 -109963.1385 297.2652 -161688.2911 -109608.1325 298.2710 73.5751 107.1879 761190.6648 4.1833 4.2801 PRESSURE: 1245600 -31.6232 -20.6041 -1.7465 -20.6046 -212.212 -200.729 -1.74632 -200.728 48.3992 GPRESSURE: 1245600 80.8369 -171.712 14.4141 -142.568 -248.456 -176.805 -82.7194 -199.611 57.858 PRESSAVG: 1245600 19.6184 -24.4204 -13.6012 -24.4204 -21.7885 -2.82622 -13.6012 -2.82626 -7.51958 GPRESSAVG: 1245600 18.7896 -24.129 -15.2546 -26.2827 -21.5851 -3.45666 -12.2269 -1.59036 -6.51952 TIMING: 1245600 CPU: 3925.06, 0.00316604/step Wall: 3925.06, 0.00316604/step, 3.30182 hours remaining, 238.132812 MB of memory in use. ENERGY: 1245600 3983.8149 20415.5473 14359.3185 219.9332 -203266.6177 2300.1625 0.0000 0.0000 52038.3949 -109949.4465 299.0654 -161987.8414 -109580.0487 297.8487 -65.1452 -36.5869 762534.4240 -3.2299 -3.1050 PRESSURE: 1245800 106.696 99.1479 -19.3024 99.1486 -269.313 174.963 -19.3026 174.965 -102.383 GPRESSURE: 1245800 166.082 23.52 -24.7648 -37.1916 -303.518 213.816 0.201546 207.362 -27.71 PRESSAVG: 1245800 22.7615 -38.5282 24.2792 -38.5282 13.2225 -17.1633 24.2791 -17.1632 7.76233 GPRESSAVG: 1245800 22.652 -39.1057 24.199 -38.6214 12.4177 -16.7442 24.9212 -21.3593 8.43489 TIMING: 1245800 CPU: 3925.7, 0.00318956/step Wall: 3925.7, 0.00318956/step, 3.32618 hours remaining, 238.132812 MB of memory in use. ENERGY: 1245800 3971.2805 20403.3641 14402.4723 268.7656 -204101.7492 2936.6972 0.0000 0.0000 52101.7582 -110017.4112 299.4295 -162119.1694 -109656.6057 298.1370 -88.3333 -55.0485 762161.5850 14.5821 14.5015 PRESSURE: 1246000 126.259 -111.037 84.011 -111.038 -47.8263 44.7697 84.0107 44.7701 -211.742 GPRESSURE: 1246000 160.803 -82.5578 -30.257 -124.575 -44.4155 107.624 119.467 -18.1973 -167.193 PRESSAVG: 1246000 -29.6359 -15.4563 -3.26637 -15.4563 -2.9718 3.96289 -3.26636 3.96289 -8.75143 GPRESSAVG: 1246000 -29.9397 -15.2824 -3.30407 -14.8031 -1.87063 4.91221 -3.25141 8.00138 -10.0887 TIMING: 1246000 CPU: 3926.33, 0.00316866/step Wall: 3926.33, 0.00316866/step, 3.30421 hours remaining, 238.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1246000 3966.3253 20419.0307 14434.8859 247.4780 -203577.4258 2591.5570 0.0000 0.0000 52069.0411 -109849.1079 299.2415 -161918.1490 -109481.5119 298.4244 -44.4367 -16.9350 761549.4674 -13.7864 -13.9663 PRESSURE: 1246200 -128.845 -116.489 37.2722 -116.488 144.35 -214.883 37.2724 -214.883 19.1216 GPRESSURE: 1246200 -56.5199 -116.965 -8.57428 -152.518 236.598 -119.08 -46.6023 -118.512 -52.1337 PRESSAVG: 1246200 -34.4014 -32.1795 24.3717 -32.1795 57.5186 -14.564 24.3717 -14.5641 3.80193 GPRESSAVG: 1246200 -34.3549 -31.0844 25.6056 -33.0507 56.5644 -13.7708 23.6128 -15.148 4.82975 TIMING: 1246200 CPU: 3926.96, 0.00315426/step Wall: 3926.96, 0.00315426/step, 3.28902 hours remaining, 238.132812 MB of memory in use. ENERGY: 1246200 3998.9894 20484.1258 14378.3690 260.1092 -203702.1377 2680.7919 0.0000 0.0000 52086.9027 -109812.8496 299.3441 -161899.7523 -109440.1181 298.9159 11.5422 42.6480 761664.5105 8.9730 9.0131 PRESSURE: 1246400 2.08305 -163.721 160.229 -163.721 38.751 -91.631 160.229 -91.631 -80.3346 GPRESSURE: 1246400 44.0128 35.101 198.027 -106.144 -9.00954 -112.604 191.313 -149.236 0.924955 PRESSAVG: 1246400 2.31027 -28.0449 -2.64424 -28.0449 5.47211 19.0391 -2.64424 19.039 10.7306 GPRESSAVG: 1246400 1.34705 -28.5046 -2.92978 -27.6583 6.12454 18.4613 -3.44567 20.7433 10.671 TIMING: 1246400 CPU: 3927.6, 0.00316583/step Wall: 3927.6, 0.00316583/step, 3.3009 hours remaining, 238.132812 MB of memory in use. ENERGY: 1246400 3980.5320 20470.8163 14374.1215 268.4170 -203863.5824 2974.0635 0.0000 0.0000 51866.8121 -109928.8199 298.0793 -161795.6320 -109565.3392 298.9433 -13.1668 11.9761 761918.6127 6.1710 6.0475 PRESSURE: 1246600 30.0102 19.2022 -189.191 19.2026 -20.6317 -173.329 -189.191 -173.329 234.796 GPRESSURE: 1246600 66.5377 54.9495 -169.751 -50.0335 32.3323 -37.767 -114.669 -29.3192 235.99 PRESSAVG: 1246600 14.8523 -6.26232 22.2987 -6.26224 -34.7606 -43.0705 22.2988 -43.0705 2.41269 GPRESSAVG: 1246600 14.8602 -6.36886 20.4589 -5.52066 -35.0336 -43.1707 24.7007 -44.7534 2.39249 TIMING: 1246600 CPU: 3928.23, 0.00314605/step Wall: 3928.23, 0.00314605/step, 3.28011 hours remaining, 238.132812 MB of memory in use. ENERGY: 1246600 4054.5810 20437.7781 14417.2734 258.5811 -203383.1027 2566.2308 0.0000 0.0000 51737.4765 -109911.1818 297.3360 -161648.6583 -109544.9910 298.5669 81.3914 111.6199 761898.9670 -5.8319 -5.9270 PRESSURE: 1246800 -54.2671 -78.8672 -186.773 -78.8666 -64.0993 -88.3324 -186.774 -88.3323 287.381 GPRESSURE: 1246800 -72.911 -74.2039 -141.918 -56.7921 93.6593 -97.8116 -122.073 -90.0832 250.999 PRESSAVG: 1246800 36.2047 -35.2957 -36.0032 -35.2957 -24.1367 11.3774 -36.0032 11.3774 -11.5115 GPRESSAVG: 1246800 36.7163 -34.344 -35.2861 -35.2868 -24.1274 11.5443 -34.8721 11.33 -12.2097 TIMING: 1246800 CPU: 3928.86, 0.00315363/step Wall: 3928.86, 0.00315363/step, 3.28783 hours remaining, 238.132812 MB of memory in use. ENERGY: 1246800 3941.9861 20439.7926 14420.7710 268.0691 -203310.8574 2574.0644 0.0000 0.0000 51891.4252 -109774.7491 298.2207 -161666.1743 -109409.8880 298.7813 56.3383 90.5825 761060.4234 0.1855 0.1264 PRESSURE: 1247000 284.024 -201.105 -129.613 -201.104 -4.92029 -166.097 -129.613 -166.097 468.734 GPRESSURE: 1247000 309.887 -57.3671 -197.702 -171.926 -16.8888 -137.96 -10.9233 -160.049 525.091 PRESSAVG: 1247000 40.0783 -58.9543 -14.5521 -58.9543 -56.4642 19.3722 -14.5521 19.3722 -14.1364 GPRESSAVG: 1247000 38.8403 -58.9903 -15.8317 -61.5442 -55.525 19.4259 -16.7784 19.5195 -13.9464 TIMING: 1247000 CPU: 3929.49, 0.00316038/step Wall: 3929.49, 0.00316038/step, 3.2947 hours remaining, 238.132812 MB of memory in use. ENERGY: 1247000 3955.5457 20322.1209 14401.0428 243.6034 -203577.8231 2692.3598 0.0000 0.0000 52245.2303 -109717.9201 300.2541 -161963.1504 -109345.6049 298.5722 249.2794 272.6965 759854.6640 -10.1741 -10.2103 PRESSURE: 1247200 -354.305 -40.0903 -5.57465 -40.0905 -431.393 -193.125 -5.57379 -193.125 -60.1195 GPRESSURE: 1247200 -288.843 -62.4772 -24.4522 26.9822 -399.414 -176.811 143.386 -101.059 -66.2414 PRESSAVG: 1247200 42.7266 -58.1592 -1.23534 -58.1591 -42.6346 15.8439 -1.23533 15.8439 -4.84298 GPRESSAVG: 1247200 43.3234 -58.8018 -1.50398 -55.0605 -44.2572 15.6404 0.220186 15.9412 -3.2853 TIMING: 1247200 CPU: 3930.12, 0.00316766/step Wall: 3930.12, 0.00316766/step, 3.30211 hours remaining, 238.132812 MB of memory in use. ENERGY: 1247200 3984.8296 20443.6638 14406.5228 264.3786 -203030.5325 2365.5092 0.0000 0.0000 51967.0821 -109598.5464 298.6555 -161565.6285 -109235.4861 298.5191 -281.9390 -251.4992 763070.0803 -1.5837 -1.4064 PRESSURE: 1247400 254.57 -23.216 126.391 -23.2158 -98.3569 -83.6946 126.39 -83.6948 465.708 GPRESSURE: 1247400 359.414 -79.1342 132.768 -25.1352 -92.6005 -140.199 37.3194 -103.597 458.865 PRESSAVG: 1247400 0.432729 -36.0759 25.9129 -36.0759 -3.94033 -22.3306 25.9129 -22.3306 10.2881 GPRESSAVG: 1247400 0.835737 -36.1611 28.1615 -37.1096 -3.50832 -22.2279 23.1481 -22.5499 9.65767 TIMING: 1247400 CPU: 3930.76, 0.00317049/step Wall: 3930.76, 0.00317049/step, 3.30488 hours remaining, 238.132812 MB of memory in use. ENERGY: 1247400 3936.3582 20407.6734 14416.5327 229.1394 -203243.6144 2786.3904 0.0000 0.0000 51957.9594 -109509.5607 298.6031 -161467.5202 -109151.2889 299.0635 207.3071 241.8930 761233.4962 2.2602 2.3284 PRESSURE: 1247600 -56.4118 73.3355 -211.943 73.3361 -264.235 -97.2826 -211.943 -97.2816 235.114 GPRESSURE: 1247600 -77.8502 89.4817 -207.383 -9.12432 -154.749 -169.016 -210.236 -51.5644 245.729 PRESSAVG: 1247600 -44.0183 39.2294 -35.564 39.2294 24.3986 19.2414 -35.564 19.2414 4.57656 GPRESSAVG: 1247600 -44.8077 40.0459 -36.4295 39.615 25.8624 17.9118 -32.7722 18.5053 3.9153 TIMING: 1247600 CPU: 3931.39, 0.00315518/step Wall: 3931.39, 0.00315518/step, 3.28875 hours remaining, 238.132812 MB of memory in use. ENERGY: 1247600 3959.4306 20639.8938 14393.4237 266.9612 -203453.2815 2393.8087 0.0000 0.0000 51998.5777 -109801.1859 298.8365 -161799.7635 -109433.3540 299.0037 -28.5109 4.3766 759611.0440 -5.0144 -5.0100 PRESSURE: 1247800 80.6195 -90.5065 -160.929 -90.5064 -201.377 -66.5284 -160.929 -66.5281 242.641 GPRESSURE: 1247800 162.014 -134.321 -69.3424 -126.798 -231.6 -4.8411 -149.258 -58.37 273.553 PRESSAVG: 1247800 2.04071 14.5359 -6.19807 14.5359 13.4922 -8.72343 -6.19808 -8.72343 0.263144 GPRESSAVG: 1247800 3.1414 14.1061 -6.19857 13.8603 13.0968 -8.28451 -9.30723 -8.18882 0.00724534 TIMING: 1247800 CPU: 3932.02, 0.00315751/step Wall: 3932.02, 0.00315751/step, 3.291 hours remaining, 238.132812 MB of memory in use. ENERGY: 1247800 3932.5580 20481.4364 14418.4361 245.0875 -203069.5326 2223.4798 0.0000 0.0000 52013.8282 -109754.7066 298.9242 -161768.5349 -109390.8850 298.6109 40.6280 67.9890 759482.7186 5.2654 5.4151 PRESSURE: 1248000 -394.244 -282.506 51.5243 -282.505 -118.86 30.5205 51.5241 30.5204 125.903 GPRESSURE: 1248000 -364.939 -221.245 71.2376 -221.934 -138.691 -42.4244 158.874 106.241 171.129 PRESSAVG: 1248000 -74.7599 -74.013 -6.53238 -74.013 46.5379 40.0187 -6.53241 40.0187 10.9575 GPRESSAVG: 1248000 -75.5235 -74.9114 -5.94759 -72.1209 46.1595 40.0969 -4.26901 41.8416 11.9547 TIMING: 1248000 CPU: 3932.65, 0.00315894/step Wall: 3932.65, 0.00315894/step, 3.29232 hours remaining, 238.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1248000 4054.9046 20527.1832 14426.8168 256.9267 -203489.6612 2531.3928 0.0000 0.0000 51883.6758 -109808.7612 298.1762 -161692.4370 -109447.6014 298.5266 -129.0670 -110.8336 761292.1936 -5.7548 -5.8031 PRESSURE: 1248200 -75.6912 99.5494 25.5022 99.5495 -8.98822 -78.4712 25.502 -78.4716 108.361 GPRESSURE: 1248200 -13.1993 26.0091 36.9008 112.777 -69.9733 -246.619 75.7802 21.6003 190.014 PRESSAVG: 1248200 32.3798 -76.5684 19.316 -76.5684 -6.77668 49.7267 19.3159 49.7267 12.0159 GPRESSAVG: 1248200 32.5577 -74.5863 20.7397 -78.1168 -6.0574 50.6487 18.1729 46.9391 11.6808 TIMING: 1248200 CPU: 3933.29, 0.00316668/step Wall: 3933.29, 0.00316668/step, 3.30021 hours remaining, 238.132812 MB of memory in use. ENERGY: 1248200 3922.8997 20433.0311 14418.2721 259.3030 -203701.3805 2621.1467 0.0000 0.0000 52064.3107 -109982.4172 299.2143 -162046.7279 -109607.9268 298.9912 7.8940 35.6136 760493.5610 12.5397 12.7270 LDB: ============= START OF LOAD BALANCING ============== 3945.69 LDB: ============== END OF LOAD BALANCING =============== 3945.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3945.69 LDB: ============= START OF LOAD BALANCING ============== 3946 LDB: Largest compute 7077 load 0.033566 is 17.1% of average load 0.196078 LDB: Average compute 0.004364 is 2.2% of average load 0.196078 LDB: TIME 3946.01 LOAD: AVG 0.196078 MAX 0.216303 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 3946.01 LOAD: AVG 0.196078 MAX 0.216303 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: TIME 3946.01 LOAD: AVG 0.196078 MAX 0.216303 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: ============== END OF LOAD BALANCING =============== 3946.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3946.02 PRESSURE: 1248400 -310.737 -267.607 0.250648 -267.608 -402.541 108.564 0.251022 108.563 18.4964 GPRESSURE: 1248400 -324.129 -254.398 86.8924 -346.47 -307.133 123.379 -145.521 200.168 30.0197 PRESSAVG: 1248400 -12.1115 -50.5013 -41.407 -50.5013 -19.7391 37.7039 -41.407 37.7039 11.3558 GPRESSAVG: 1248400 -12.7744 -49.8023 -43.8546 -51.6679 -20.0638 36.6288 -41.7216 39.5108 12.7121 TIMING: 1248400 CPU: 3933.93, 0.00324505/step Wall: 3933.93, 0.00324505/step, 3.3817 hours remaining, 237.792969 MB of memory in use. ENERGY: 1248400 3968.7767 20449.3873 14382.5376 251.6831 -203192.2518 2244.0058 0.0000 0.0000 51894.6077 -110001.2535 298.2390 -161895.8612 -109634.5658 298.3293 -231.5939 -200.4141 760562.8231 -6.8316 -6.7087 PRESSURE: 1248600 -399.797 192.592 10.1703 192.592 138.708 113.906 10.1699 113.907 152.976 GPRESSURE: 1248600 -318.261 121.115 143.152 248.665 176.466 91.1402 8.18926 53.6509 131.217 PRESSAVG: 1248600 -57.49 -65.3496 32.29 -65.3497 22.8888 41.465 32.2899 41.465 10.6796 GPRESSAVG: 1248600 -56.0339 -67.6972 32.9306 -63.0578 23.2991 42.3273 32.9105 40.6153 9.09039 TIMING: 1248600 CPU: 3934.56, 0.0031517/step Wall: 3934.56, 0.0031517/step, 3.28425 hours remaining, 237.792969 MB of memory in use. ENERGY: 1248600 3925.8373 20282.5382 14305.0756 232.2598 -203241.5756 2423.7315 0.0000 0.0000 51950.8847 -110121.2485 298.5624 -162072.1332 -109756.6577 297.8951 -36.0375 -3.5259 761091.9404 -7.9739 -7.8815 PRESSURE: 1248800 291.235 -126.418 -19.8723 -126.419 -215.162 -276.857 -19.8717 -276.857 58.4218 GPRESSURE: 1248800 334.565 2.04961 27.3192 -167.458 -223.396 -266.11 -63.7709 -129.029 94.8416 PRESSAVG: 1248800 -11.9756 27.7827 7.30998 27.7828 50.5515 31.2501 7.31 31.2502 -20.4279 GPRESSAVG: 1248800 -13.0311 29.9747 7.27531 26.0848 50.396 29.6363 8.29051 34.3629 -19.548 TIMING: 1248800 CPU: 3935.19, 0.00314576/step Wall: 3935.19, 0.00314576/step, 3.27788 hours remaining, 238.199219 MB of memory in use. ENERGY: 1248800 3923.0413 20488.0988 14322.1177 241.6575 -203577.6030 2750.8075 0.0000 0.0000 51713.6444 -110138.2358 297.1990 -161851.8802 -109785.2756 298.0497 44.8316 68.6702 759740.6441 6.0494 5.9390 PRESSURE: 1249000 -49.8714 181.287 166.853 181.286 142.721 152.026 166.852 152.025 354.096 GPRESSURE: 1249000 -53.1306 251.216 208.805 191.606 181.657 56.5813 141.804 157.847 377.38 PRESSAVG: 1249000 22.3724 5.58829 38.9534 5.58825 -16.8491 11.4413 38.9534 11.4413 -11.1199 GPRESSAVG: 1249000 23.381 2.73743 38.3339 8.19954 -17.3356 11.3792 36.9933 9.7046 -11.1487 TIMING: 1249000 CPU: 3935.82, 0.00314969/step Wall: 3935.82, 0.00314969/step, 3.2818 hours remaining, 238.199219 MB of memory in use. ENERGY: 1249000 3925.7074 20433.4058 14486.0320 265.5537 -203511.9335 2500.5767 0.0000 0.0000 52193.7675 -109706.8903 299.9583 -161900.6579 -109342.2550 297.9542 148.9817 168.6354 760717.5613 -1.8656 -1.7011 PRESSURE: 1249200 131.61 -96.2278 161.855 -96.2287 -273.011 -39.5455 161.854 -39.5451 -245.048 GPRESSURE: 1249200 170.765 -134.765 140.597 -86.965 -289.992 -60.9314 -22.2852 8.27889 -164.977 PRESSAVG: 1249200 32.5882 18.4717 35.5082 18.4717 -2.58975 55.9631 35.5082 55.9631 14.3419 GPRESSAVG: 1249200 33.3272 18.5432 36.1101 18.3496 -3.69261 56.3107 37.1188 56.8519 14.5671 TIMING: 1249200 CPU: 3936.45, 0.00314832/step Wall: 3936.45, 0.00314832/step, 3.2802 hours remaining, 238.199219 MB of memory in use. ENERGY: 1249200 4004.0796 20569.3328 14444.3894 233.3204 -203481.2330 2676.8733 0.0000 0.0000 51837.5461 -109715.6914 297.9111 -161553.2376 -109352.6729 298.8366 -128.8167 -94.7346 762524.0515 14.7801 14.7339 PRESSURE: 1249400 -124.155 -8.26672 -157.311 -8.26715 261.567 183.231 -157.312 183.231 -438.468 GPRESSURE: 1249400 -31.4533 25.0841 -195.551 27.701 249.467 230.899 -207.556 160.461 -460.912 PRESSAVG: 1249400 66.6812 -104.302 -26.3379 -104.302 -52.3584 8.48638 -26.3378 8.48637 -20.9272 GPRESSAVG: 1249400 64.9048 -104.284 -26.0486 -103.001 -49.4796 8.25218 -26.9464 6.86284 -21.6609 TIMING: 1249400 CPU: 3937.08, 0.00314816/step Wall: 3937.08, 0.00314816/step, 3.27986 hours remaining, 238.199219 MB of memory in use. ENERGY: 1249400 3986.7090 20420.5345 14363.6608 247.7823 -203136.5294 2477.7821 0.0000 0.0000 51981.6773 -109658.3833 298.7394 -161640.0606 -109287.2139 298.7875 -100.3519 -80.9660 762902.4180 -2.2015 -2.0786 PRESSURE: 1249600 4.81564 -107.924 -329.602 -107.924 -304.316 -250.711 -329.602 -250.712 -172.661 GPRESSURE: 1249600 66.9036 -97.6029 -361.5 -113.065 -261.279 -203.548 -93.3663 -225.699 -201.738 PRESSAVG: 1249600 37.845 1.04749 -55.7465 1.04746 -79.5718 3.09395 -55.7465 3.09386 -22.0585 GPRESSAVG: 1249600 37.8767 3.1356 -55.0618 -0.86088 -80.0155 5.4264 -55.6232 2.12862 -21.7532 TIMING: 1249600 CPU: 3937.71, 0.00315923/step Wall: 3937.71, 0.00315922/step, 3.29121 hours remaining, 238.199219 MB of memory in use. ENERGY: 1249600 3959.3057 20470.5771 14485.7465 253.3447 -203432.2649 2575.8211 0.0000 0.0000 51989.9815 -109697.4882 298.7871 -161687.4698 -109341.9260 298.4584 -157.3872 -132.0376 760598.0106 -21.2618 -21.2973 PRESSURE: 1249800 -295.369 129.1 28.6625 129.1 -39.2447 160.012 28.662 160.012 -212.215 GPRESSURE: 1249800 -184.193 72.0093 -30.3763 22.7253 -65.9695 184.108 -22.7086 50.2278 -205.558 PRESSAVG: 1249800 64.0212 -14.735 11.7066 -14.735 -67.4027 -13.3528 11.7066 -13.3528 9.96837 GPRESSAVG: 1249800 64.6416 -16.4801 11.3265 -15.3833 -68.597 -13.4662 11.8692 -13.8713 9.96797 TIMING: 1249800 CPU: 3938.34, 0.0031415/step Wall: 3938.34, 0.0031415/step, 3.27257 hours remaining, 238.199219 MB of memory in use. ENERGY: 1249800 3947.7230 20406.3821 14434.1313 250.6186 -203150.3873 2459.7029 0.0000 0.0000 51997.0988 -109654.7305 298.8280 -161651.8294 -109298.4654 298.8443 -182.2763 -151.9066 762212.1472 2.1956 2.0042 PRESSURE: 1250000 378.917 -6.38404 139.836 -6.38354 -75.1848 4.14702 139.836 4.1462 94.209 GPRESSURE: 1250000 367.899 -71.8835 127.418 10.6138 56.1909 70.5269 119.72 92.4379 51.3131 PRESSAVG: 1250000 36.0354 21.3329 -41.1927 21.3329 -22.1273 40.8709 -41.1927 40.8709 21.9047 GPRESSAVG: 1250000 36.428 21.8053 -41.148 22.3211 -21.071 40.4906 -40.9017 42.0123 20.8109 TIMING: 1250000 CPU: 3938.97, 0.003148/step Wall: 3938.97, 0.003148/step, 3.27916 hours remaining, 238.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1250000 3895.0599 20398.5953 14452.4716 248.0830 -203747.8047 2902.3346 0.0000 0.0000 51923.1497 -109928.1105 298.4031 -161851.2602 -109568.7597 298.5252 132.6472 158.4675 759944.9836 11.9376 12.0560 PRESSURE: 1250200 -11.318 -94.5137 92.7251 -94.5143 42.4402 -49.3686 92.7248 -49.3687 66.3044 GPRESSURE: 1250200 -36.5164 -162.488 137.79 -124.826 154.764 -166.614 85.0857 -34.2987 60.5805 PRESSAVG: 1250200 -30.9095 -40.3432 0.894914 -40.3431 40.9111 -8.94348 0.894903 -8.94353 13.5306 GPRESSAVG: 1250200 -31.979 -41.2142 -0.997431 -41.6903 41.4304 -9.48669 1.41763 -10.6101 13.6255 TIMING: 1250200 CPU: 3939.6, 0.00315516/step Wall: 3939.6, 0.00315516/step, 3.28645 hours remaining, 238.199219 MB of memory in use. ENERGY: 1250200 3981.9717 20390.2061 14381.8486 260.3549 -203201.2054 2509.8940 0.0000 0.0000 51916.3611 -109760.5690 298.3640 -161676.9301 -109407.1642 298.0150 32.4755 59.6093 759666.2246 7.8441 7.6923 PRESSURE: 1250400 -342.868 -219.112 -210.141 -219.112 -373.099 179.519 -210.142 179.518 -155.697 GPRESSURE: 1250400 -311.145 -120.792 -266.083 -127.291 -258.45 139.754 -179.546 194.262 -230.348 PRESSAVG: 1250400 -25.6924 -33.0945 45.1118 -33.0945 25.606 29.5276 45.1118 29.5276 4.67293 GPRESSAVG: 1250400 -26.4753 -31.3694 44.6512 -33.065 25.5184 30.0962 43.4536 31.7354 5.97684 TIMING: 1250400 CPU: 3940.24, 0.0031556/step Wall: 3940.24, 0.0031556/step, 3.28673 hours remaining, 238.199219 MB of memory in use. ENERGY: 1250400 3986.1584 20465.9594 14374.9348 244.0914 -203721.3126 2804.1569 0.0000 0.0000 51942.1105 -109903.9012 298.5120 -161846.0117 -109538.3207 298.5608 -290.5548 -266.6478 759815.3862 1.5289 1.6733 PRESSURE: 1250600 -244.917 -176.236 55.4061 -176.235 94.4184 196.226 55.4054 196.226 125.941 GPRESSURE: 1250600 -195.518 -222.156 87.2688 -117.462 113.276 133.071 99.9614 169.126 132.564 PRESSAVG: 1250600 -36.2286 -13.1061 -2.61364 -13.1061 18.636 -3.91616 -2.61366 -3.91617 5.16693 GPRESSAVG: 1250600 -35.3941 -13.6707 -1.95704 -10.6678 17.054 -3.28264 -3.44308 -5.38935 5.64276 TIMING: 1250600 CPU: 3940.87, 0.00315912/step Wall: 3940.87, 0.00315912/step, 3.29023 hours remaining, 238.199219 MB of memory in use. ENERGY: 1250600 3881.6724 20301.2570 14437.0261 276.8796 -203267.0825 2399.9803 0.0000 0.0000 51651.0555 -110319.2116 296.8393 -161970.2672 -109957.8854 297.5074 -8.1857 16.7739 759610.8330 -4.1419 -4.2324 PRESSURE: 1250800 -75.6419 4.52709 -151.78 4.52706 257.848 70.6133 -151.78 70.6136 117.092 GPRESSURE: 1250800 -102.416 -37.0133 -122.433 -78.0402 207.16 40.0316 -182.415 95.3881 270.327 PRESSAVG: 1250800 -20.5818 -29.1926 -30.0374 -29.1925 22.2735 60.6468 -30.0375 60.6468 8.48778 GPRESSAVG: 1250800 -21.0226 -28.5526 -28.4463 -31.9537 23.654 59.8675 -30.1658 62.8106 7.25401 TIMING: 1250800 CPU: 3941.5, 0.00315082/step Wall: 3941.5, 0.00315082/step, 3.2814 hours remaining, 238.199219 MB of memory in use. ENERGY: 1250800 3921.8238 20358.0093 14378.0355 250.2653 -203576.6893 2795.9749 0.0000 0.0000 51480.1581 -110392.4223 295.8572 -161872.5804 -110035.8822 296.8462 99.7663 125.0238 759781.7828 3.3931 3.2951 PRESSURE: 1251000 51.7027 -246.928 382.549 -246.928 -67.5556 113.439 382.548 113.439 206.065 GPRESSURE: 1251000 119.818 -298.318 235.829 -199.336 -51.7775 103.554 410.83 140.236 210.542 PRESSAVG: 1251000 69.5768 23.7935 6.28939 23.7934 -39.1128 5.62589 6.28943 5.62592 -14.1171 GPRESSAVG: 1251000 69.6615 22.4299 6.37632 25.4786 -39.429 4.94525 7.69618 4.45194 -14.6902 TIMING: 1251000 CPU: 3942.13, 0.00315794/step Wall: 3942.13, 0.00315794/step, 3.28864 hours remaining, 238.199219 MB of memory in use. ENERGY: 1251000 3914.2495 20276.1205 14401.0298 264.3175 -203533.8311 2340.3081 0.0000 0.0000 51903.9393 -110433.8664 298.2927 -162337.8057 -110076.4086 296.7035 63.4041 92.8611 760602.5203 5.4490 5.1808 PRESSURE: 1251200 -57.2715 -111.607 255.6 -111.606 -197.238 37.5256 255.6 37.527 73.4975 GPRESSURE: 1251200 -134.113 -18.2396 194.646 -148.003 -101.936 110.435 186.21 -18.3301 126.833 PRESSAVG: 1251200 71.2166 10.23 29.3439 10.23 -92.4293 43.6625 29.3438 43.6624 -1.99399 GPRESSAVG: 1251200 71.1881 8.85619 28.5778 10.4566 -92.8502 44.5028 28.8048 45.2431 -1.26788 TIMING: 1251200 CPU: 3942.76, 0.00314335/step Wall: 3942.76, 0.00314335/step, 3.27328 hours remaining, 238.199219 MB of memory in use. ENERGY: 1251200 3939.0976 20469.8548 14365.7367 257.8942 -203437.3845 2393.4161 0.0000 0.0000 51526.4791 -110484.9061 296.1234 -162011.3852 -110132.8237 296.9612 -60.3372 -36.4056 761932.4214 -7.7356 -7.6433 PRESSURE: 1251400 13.43 -154.507 193.578 -154.506 -156.18 -71.635 193.577 -71.635 -474.468 GPRESSURE: 1251400 -25.176 -108.084 212.639 -188.376 -147.126 -61.5299 198.961 -201.216 -375.459 PRESSAVG: 1251400 92.5751 -4.9887 4.21234 -4.98866 -46.9016 0.651191 4.21237 0.651181 4.67133 GPRESSAVG: 1251400 91.5926 -2.7861 3.84583 -6.8691 -46.6184 1.47405 5.93563 -2.51749 5.13879 TIMING: 1251400 CPU: 3943.39, 0.00315148/step Wall: 3943.39, 0.00315148/step, 3.28156 hours remaining, 238.199219 MB of memory in use. ENERGY: 1251400 3876.4266 20348.4036 14372.6710 251.9713 -203351.5211 2429.7131 0.0000 0.0000 51693.3002 -110379.0352 297.0821 -162072.3355 -110014.3504 296.9070 -205.7392 -182.5870 760975.5738 16.7816 16.7043 PRESSURE: 1251600 -170.435 146.924 -12.9848 146.924 -80.5899 49.7529 -12.9839 49.753 -341.399 GPRESSURE: 1251600 -64.7284 119.514 -96.4276 66.9759 -85.3855 79.4282 99.3662 -7.52402 -358.117 PRESSAVG: 1251600 66.5422 -13.6182 -20.9309 -13.6182 -71.4636 -22.3122 -20.9309 -22.3121 -15.5611 GPRESSAVG: 1251600 68.2055 -14.7052 -21.7875 -12.4452 -71.8956 -24.1621 -22.672 -21.0047 -15.8568 TIMING: 1251600 CPU: 3944.02, 0.00316624/step Wall: 3944.02, 0.00316624/step, 3.29676 hours remaining, 238.199219 MB of memory in use. ENERGY: 1251600 4016.6384 20331.0804 14392.1387 239.1879 -203767.9922 2861.0745 0.0000 0.0000 51545.2541 -110382.6182 296.2313 -161927.8722 -110034.5468 297.0216 -197.4747 -169.4102 761636.8924 -6.8275 -6.5156 PRESSURE: 1251800 5.09525 -34.2542 -127.844 -34.255 135.464 -3.29385 -127.844 -3.29366 81.0577 GPRESSURE: 1251800 101.95 16.8522 -67.9552 -34.4789 127.971 17.19 -24.0632 21.0525 95.4124 PRESSAVG: 1251800 39.337 -13.7018 3.03276 -13.7018 -50.9973 -31.761 3.03282 -31.761 -3.95375 GPRESSAVG: 1251800 39.8104 -12.2706 4.19338 -14.605 -50.9214 -30.9246 2.98227 -31.0906 -4.41372 TIMING: 1251800 CPU: 3944.65, 0.00314466/step Wall: 3944.65, 0.00314466/step, 3.27411 hours remaining, 238.199219 MB of memory in use. ENERGY: 1251800 3965.8281 20360.6646 14332.9149 263.5608 -203683.1315 2632.6924 0.0000 0.0000 51905.1301 -110222.3405 298.2995 -162127.4706 -109862.4893 297.5288 73.8724 108.4445 760438.9763 -5.2047 -5.1749 PRESSURE: 1252000 514.121 -38.174 -6.89465 -38.1736 232.181 -103.319 -6.89434 -103.318 533.783 GPRESSURE: 1252000 532.892 -129.821 0.0639082 42.6909 367.31 -80.2159 -47.1116 -80.5641 452.953 PRESSAVG: 1252000 84.0854 -2.11156 10.4725 -2.1115 -75.6883 -6.92316 10.4725 -6.92311 19.3777 GPRESSAVG: 1252000 82.1448 -4.11798 10.3649 -1.36191 -75.1422 -7.89941 9.60182 -6.15005 20.4584 TIMING: 1252000 CPU: 3945.28, 0.0031364/step Wall: 3945.28, 0.0031364/step, 3.26534 hours remaining, 238.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1252000 3945.1842 20332.1778 14380.6180 245.9602 -203592.7643 2803.7139 0.0000 0.0000 51897.3249 -109987.7854 298.2546 -161885.1103 -109626.9979 297.7674 426.6953 451.0516 761404.6054 9.2583 9.1537 PRESSURE: 1252200 252.789 -210.993 -11.5467 -210.993 -70.2764 -2.68434 -11.5463 -2.68388 194.801 GPRESSURE: 1252200 326.005 -84.4386 -18.6934 -208.853 -82.7783 25.9208 -106.378 -60.3318 207.162 PRESSAVG: 1252200 89.9722 -49.8672 -62.4877 -49.8671 -24.4389 -22.563 -62.4876 -22.563 -13.3981 GPRESSAVG: 1252200 91.7255 -49.3557 -64.964 -49.5682 -25.5047 -20.3608 -60.6142 -23.5722 -14.3842 TIMING: 1252200 CPU: 3945.91, 0.00314368/step Wall: 3945.91, 0.00314368/step, 3.27274 hours remaining, 238.199219 MB of memory in use. ENERGY: 1252200 3990.0302 20410.9181 14391.8743 252.1362 -203587.3987 2756.8335 0.0000 0.0000 51691.5943 -110094.0120 297.0723 -161785.6063 -109739.1966 297.8970 125.7712 150.1296 761030.1706 17.3784 17.2789 LDB: ============= START OF LOAD BALANCING ============== 3958.31 LDB: ============== END OF LOAD BALANCING =============== 3958.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3958.31 LDB: ============= START OF LOAD BALANCING ============== 3958.62 LDB: Largest compute 7077 load 0.033600 is 17.1% of average load 0.196006 LDB: Average compute 0.004348 is 2.2% of average load 0.196006 LDB: TIME 3958.63 LOAD: AVG 0.196006 MAX 0.214881 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.305 MB LDB: TIME 3958.63 LOAD: AVG 0.196006 MAX 0.214881 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.508 MB LDB: TIME 3958.63 LOAD: AVG 0.196006 MAX 0.214881 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.508 MB LDB: ============== END OF LOAD BALANCING =============== 3958.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3958.63 PRESSURE: 1252400 288.758 78.8498 -30.8528 78.8499 -238.324 53.637 -30.8526 53.6375 -216.928 GPRESSURE: 1252400 294.672 93.5204 -33.1347 158.946 -197.05 42.7648 -7.6291 -31.1614 -180.926 PRESSAVG: 1252400 12.9654 -74.9643 -2.37204 -74.9643 -32.3438 -76.5069 -2.37202 -76.5069 19.0462 GPRESSAVG: 1252400 11.6082 -75.3307 -1.04123 -74.5139 -32.4189 -78.0168 -3.00873 -79.1565 20.0169 TIMING: 1252400 CPU: 3946.55, 0.00322775/step Wall: 3946.55, 0.00322775/step, 3.36009 hours remaining, 237.957031 MB of memory in use. ENERGY: 1252400 3998.1793 20523.2576 14348.2192 240.4570 -203523.5352 2568.7068 0.0000 0.0000 51856.7521 -109987.9631 298.0215 -161844.7152 -109637.1785 297.9596 -55.4982 -27.7680 761562.4421 -0.1108 -0.2646 PRESSURE: 1252600 -288.831 -137.132 16.3975 -137.131 -454.239 76.9619 16.398 76.9623 -122.333 GPRESSURE: 1252600 -244.153 -152.424 17.1748 -76.4527 -373.424 84.134 -30.2083 56.835 -175.558 PRESSAVG: 1252600 70.8922 -30.8043 16.5764 -30.8043 -87.895 -39.1594 16.5764 -39.1594 -8.36544 GPRESSAVG: 1252600 71.7782 -31.4563 16.7728 -32.6334 -88.2132 -38.5549 16.0521 -36.8895 -9.49141 TIMING: 1252600 CPU: 3947.18, 0.00314508/step Wall: 3947.18, 0.00314508/step, 3.27385 hours remaining, 238.160156 MB of memory in use. ENERGY: 1252600 3929.6113 20420.4995 14400.5082 234.5096 -202967.7155 2058.5330 0.0000 0.0000 51810.8580 -110113.1959 297.7577 -161924.0539 -109749.1543 298.1516 -288.4675 -264.3786 763131.3726 -8.4561 -8.6421 PRESSURE: 1252800 -217.621 -124.358 47.6139 -124.358 41.203 5.77286 47.6125 5.77289 117.509 GPRESSURE: 1252800 -139.709 -235.673 99.6068 -151.791 33.9269 -13.5742 36.4596 72.0971 130.004 PRESSAVG: 1252800 44.4215 -84.3783 0.967596 -84.3783 -18.4372 18.6516 0.967561 18.6516 32.0441 GPRESSAVG: 1252800 45.3977 -82.0628 0.918954 -84.0756 -17.6891 17.657 1.11912 20.3145 30.656 TIMING: 1252800 CPU: 3947.81, 0.00314137/step Wall: 3947.81, 0.00314136/step, 3.26981 hours remaining, 238.160156 MB of memory in use. ENERGY: 1252800 4051.3205 20436.6230 14374.0155 239.6343 -203728.8261 2444.5357 0.0000 0.0000 52098.1261 -110084.5710 299.4086 -162182.6971 -109724.1763 297.9274 -19.6361 8.0739 760295.5349 19.3428 19.4549 PRESSURE: 1253000 -86.6452 -86.9429 21.9934 -86.9423 -407.205 -57.104 21.9941 -57.1039 -268.271 GPRESSURE: 1253000 -55.7772 -86.1973 -68.7027 -5.94875 -351.913 32.2304 -108.124 -93.6354 -279.68 PRESSAVG: 1253000 -18.7732 -64.9553 -42.7508 -64.9553 -2.18509 -11.6662 -42.7508 -11.6662 -14.1794 GPRESSAVG: 1253000 -20.7156 -66.9511 -43.1847 -65.4925 -1.61092 -10.8481 -41.3882 -12.6564 -12.1545 TIMING: 1253000 CPU: 3948.44, 0.00314236/step Wall: 3948.44, 0.00314236/step, 3.27067 hours remaining, 238.160156 MB of memory in use. ENERGY: 1253000 4047.1791 20533.9351 14431.3944 237.9258 -203469.1626 2560.1922 0.0000 0.0000 51766.0314 -109892.5047 297.5001 -161658.5360 -109538.6978 298.3780 -254.0403 -229.1233 761819.8640 -11.7126 -11.4937 PRESSURE: 1253200 -246.093 -163.574 14.6715 -163.574 31.3953 65.7691 14.6725 65.7692 181.59 GPRESSURE: 1253200 -215.453 -135.936 18.0139 -133.221 112.981 63.0471 -38.0196 -3.94493 145.681 PRESSAVG: 1253200 -0.577357 5.0268 -33.5843 5.02686 14.8903 -4.40689 -33.5843 -4.40693 21.3203 GPRESSAVG: 1253200 -0.366163 6.82607 -33.3767 7.38641 15.6591 -4.5147 -36.3154 -3.90057 20.2573 TIMING: 1253200 CPU: 3949.07, 0.00315479/step Wall: 3949.07, 0.00315479/step, 3.28344 hours remaining, 238.160156 MB of memory in use. ENERGY: 1253200 4002.5260 20538.2661 14356.2913 246.0316 -203227.5623 2210.3827 0.0000 0.0000 51937.0989 -109936.9656 298.4832 -161874.0645 -109577.8539 298.9541 -11.0361 14.4031 759968.1551 11.8777 11.8501 PRESSURE: 1253400 -154.033 -96.29 -272.503 -96.2895 -226.24 51.2016 -272.503 51.2012 -225.221 GPRESSURE: 1253400 -164.164 -49.3098 -269.718 -132.648 -264.6 97.2555 -240.622 52.0888 -97.0899 PRESSAVG: 1253400 -6.85186 -5.49552 33.3198 -5.4955 5.24719 33.4839 33.3198 33.4839 -19.2939 GPRESSAVG: 1253400 -6.44904 -6.21769 32.7272 -5.49407 4.21266 34.2786 35.4707 31.8641 -18.5041 TIMING: 1253400 CPU: 3949.7, 0.00314067/step Wall: 3949.7, 0.00314067/step, 3.26856 hours remaining, 238.160156 MB of memory in use. ENERGY: 1253400 3975.7171 20478.7521 14324.3800 251.8848 -203695.0510 2625.6478 0.0000 0.0000 52102.6871 -109935.9821 299.4349 -162038.6692 -109560.4976 298.7754 -201.8313 -175.2846 760971.2214 -6.9662 -6.9135 PRESSURE: 1253600 473.699 61.1196 -171.627 61.1201 -33.9608 5.50825 -171.628 5.50762 -52.41 GPRESSURE: 1253600 530.429 -79.6038 -246.096 50.0607 66.3617 75.359 -64.0296 -78.7678 -119.73 PRESSAVG: 1253600 10.4637 -9.03328 -58.0983 -9.03328 -80.2338 -3.38708 -58.0982 -3.38711 0.271479 GPRESSAVG: 1253600 11.4458 -8.86977 -58.7455 -10.4258 -80.3183 -4.51767 -56.5475 -0.38205 -1.06491 TIMING: 1253600 CPU: 3950.33, 0.00315675/step Wall: 3950.33, 0.00315675/step, 3.28513 hours remaining, 238.160156 MB of memory in use. ENERGY: 1253600 3978.5090 20470.6464 14375.8873 234.9782 -203593.8082 2620.5700 0.0000 0.0000 52112.9919 -109800.2255 299.4941 -161913.2173 -109440.3088 299.1227 129.1094 159.0200 759794.2122 -23.1662 -23.3125 PRESSURE: 1253800 -41.9565 114.635 -31.7223 114.635 28.8007 -240.28 -31.7218 -240.281 -84.1038 GPRESSURE: 1253800 -30.6245 138.959 -72.2402 108.494 -1.456 -280.075 -150.43 -278.57 23.1346 PRESSAVG: 1253800 3.72804 -25.5872 -7.33894 -25.5871 27.7803 -9.95055 -7.33894 -9.95052 0.725522 GPRESSAVG: 1253800 3.79583 -25.7418 -5.52911 -26.5371 28.2513 -10.4372 -8.9169 -11.9424 0.261265 TIMING: 1253800 CPU: 3950.96, 0.00315168/step Wall: 3950.96, 0.00315168/step, 3.27967 hours remaining, 238.160156 MB of memory in use. ENERGY: 1253800 4035.9087 20460.2870 14399.0992 261.9304 -203247.7185 2500.8279 0.0000 0.0000 51785.6357 -109804.0295 297.6128 -161589.6653 -109445.8414 299.1229 -32.4199 -2.9820 759623.9594 10.7446 10.7695 PRESSURE: 1254000 -12.5664 253.306 225.455 253.306 -40.1837 207.976 225.455 207.976 273.738 GPRESSURE: 1254000 -56.7265 178.776 235.205 235.686 27.5637 142.339 165.51 383.726 321.075 PRESSAVG: 1254000 19.3399 23.8649 75.6152 23.8648 15.007 -3.36629 75.6152 -3.36622 -11.4277 GPRESSAVG: 1254000 18.4448 23.8092 75.4264 24.6994 14.7264 -2.50066 75.5934 -2.17973 -10.2898 TIMING: 1254000 CPU: 3951.59, 0.00315879/step Wall: 3951.59, 0.00315879/step, 3.28689 hours remaining, 238.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1254000 4016.0897 20646.0195 14340.2678 221.3451 -203347.3275 2546.5286 0.0000 0.0000 52036.2386 -109540.8383 299.0530 -161577.0769 -109179.7342 298.9482 73.6627 97.3039 761107.6711 7.6397 7.6271 PRESSURE: 1254200 -8.74553 77.0308 -84.6806 77.0308 162.708 -81.692 -84.6815 -81.6926 506.646 GPRESSURE: 1254200 67.888 142.617 22.7087 80.6747 206.44 -39.0421 -48.15 -144.053 478.007 PRESSAVG: 1254200 43.2719 3.04081 -9.99564 3.0408 -7.58209 4.01113 -9.99565 4.01111 6.34188 GPRESSAVG: 1254200 43.8766 3.46994 -7.97177 1.26134 -7.84685 1.35444 -11.8238 5.04504 6.14957 TIMING: 1254200 CPU: 3952.23, 0.00318072/step Wall: 3952.23, 0.00318072/step, 3.30954 hours remaining, 238.160156 MB of memory in use. ENERGY: 1254200 3893.5290 20527.6526 14445.9864 258.3322 -203601.5684 2824.5141 0.0000 0.0000 52076.4847 -109575.0694 299.2843 -161651.5541 -109205.2078 298.8615 220.2028 250.7782 759652.3809 14.0105 14.0598 PRESSURE: 1254400 -333.794 79.4886 74.6218 79.4887 170.316 -69.7436 74.6234 -69.7429 250.179 GPRESSURE: 1254400 -163.729 164.978 126.728 -133.242 110.978 -60.5766 33.729 -102.322 249.723 PRESSAVG: 1254400 -22.6853 -67.8354 -15.3314 -67.8355 5.71503 11.7968 -15.3315 11.7969 26.4174 GPRESSAVG: 1254400 -23.129 -68.6933 -16.797 -66.39 6.50786 12.292 -14.3994 12.9312 26.254 TIMING: 1254400 CPU: 3952.86, 0.00317179/step Wall: 3952.86, 0.00317179/step, 3.30007 hours remaining, 238.160156 MB of memory in use. ENERGY: 1254400 3947.2990 20522.2897 14406.9024 238.7293 -203641.4892 2666.6048 0.0000 0.0000 52151.7974 -109707.8667 299.7171 -161859.6641 -109344.5866 299.3661 28.9002 65.6574 760640.8687 3.1491 3.2109 PRESSURE: 1254600 2.12179 40.3005 -178.218 40.3002 -385.361 25.564 -178.219 25.5632 -7.40329 GPRESSURE: 1254600 60.3975 108.078 -226.457 104.974 -350 115.191 -12.2107 53.0631 -32.1072 PRESSAVG: 1254600 34.3988 -71.2466 22.4973 -71.2466 -25.9579 7.94704 22.4974 7.94708 9.55415 GPRESSAVG: 1254600 34.2772 -70.1319 22.0323 -69.9466 -26.952 9.84449 22.5807 4.34296 10.5668 TIMING: 1254600 CPU: 3953.49, 0.00316463/step Wall: 3953.49, 0.00316463/step, 3.29245 hours remaining, 238.160156 MB of memory in use. ENERGY: 1254600 3945.0335 20607.5098 14498.3291 241.4968 -203391.1690 2237.1710 0.0000 0.0000 52181.9288 -109679.6998 299.8903 -161861.6287 -109314.6457 299.1680 -130.2143 -107.2366 760343.8964 5.9983 5.9640 PRESSURE: 1254800 -233.206 28.3232 93.5798 28.3236 161.698 -37.7208 93.5794 -37.7214 -160.591 GPRESSURE: 1254800 -200.915 49.2279 170.306 22.0018 133.995 -76.3429 178.468 -79.5045 -64.8589 PRESSAVG: 1254800 28.3258 21.1009 43.1686 21.1008 -18.119 22.4285 43.1686 22.4285 33.8114 GPRESSAVG: 1254800 27.7734 22.5687 43.2211 20.2468 -17.9902 19.5879 43.9298 22.4212 33.7377 TIMING: 1254800 CPU: 3954.12, 0.00315057/step Wall: 3954.12, 0.00315057/step, 3.27765 hours remaining, 238.160156 MB of memory in use. ENERGY: 1254800 4050.3916 20613.8166 14449.8780 226.5338 -203276.5398 2370.8709 0.0000 0.0000 51812.1297 -109752.9192 297.7650 -161565.0489 -109399.7444 298.8878 -77.3662 -43.9265 759236.7620 14.6728 14.5070 PRESSURE: 1255000 67.7747 7.60601 80.3197 7.60613 -242.887 171.944 80.3196 171.944 -204.074 GPRESSURE: 1255000 85.4963 44.8715 17.771 -72.9091 -218.608 110.882 45.5221 224.11 -153.439 PRESSAVG: 1255000 -41.5088 1.01895 6.28276 1.01893 35.0485 38.1508 6.28274 38.1508 0.246119 GPRESSAVG: 1255000 -40.859 -1.41689 5.79254 -0.150401 35.4754 39.9553 4.92684 38.608 -0.0895792 TIMING: 1255000 CPU: 3954.75, 0.00315234/step Wall: 3954.75, 0.00315234/step, 3.27931 hours remaining, 238.160156 MB of memory in use. ENERGY: 1255000 3979.6894 20355.7142 14401.8108 254.4435 -203593.1762 2830.6259 0.0000 0.0000 52084.4544 -109686.4381 299.3301 -161770.8925 -109315.9556 298.9691 -126.3953 -95.5168 761304.9918 -2.0714 -1.8244 PRESSURE: 1255200 77.9021 69.9505 253.389 69.9503 61.1193 -107.69 253.389 -107.69 186.027 GPRESSURE: 1255200 61.5111 71.9884 230.118 57.6693 123.726 -110.385 157.876 -116.911 206.96 PRESSAVG: 1255200 -29.6509 -50.8874 -51.7977 -50.8873 47.8377 30.0044 -51.7976 30.0043 -5.72117 GPRESSAVG: 1255200 -30.2587 -50.0856 -51.0616 -47.6292 48.9924 30.5382 -51.6226 30.9972 -5.88545 TIMING: 1255200 CPU: 3955.39, 0.00316867/step Wall: 3955.39, 0.00316867/step, 3.29612 hours remaining, 238.160156 MB of memory in use. ENERGY: 1255200 3937.4044 20479.0751 14450.1550 264.1462 -203722.5656 2669.3968 0.0000 0.0000 52334.0032 -109588.3848 300.7642 -161922.3880 -109222.6512 299.0355 108.3496 130.7325 758527.7182 4.1552 4.2828 PRESSURE: 1255400 -55.5564 87.1188 61.1762 87.1195 -222.878 -173.739 61.1758 -173.74 160.328 GPRESSURE: 1255400 -53.5554 123.09 54.3548 200.762 -213.333 -111.031 41.1573 -204.846 242.865 PRESSAVG: 1255400 -58.3136 -49.4732 -24.961 -49.4731 55.9707 -57.023 -24.9611 -57.0229 18.0353 GPRESSAVG: 1255400 -58.1827 -51.636 -25.336 -49.8699 54.9459 -55.8659 -23.8975 -57.8456 18.702 TIMING: 1255400 CPU: 3956.02, 0.00318337/step Wall: 3956.02, 0.00318337/step, 3.31123 hours remaining, 238.160156 MB of memory in use. ENERGY: 1255400 4019.8161 20537.5914 14493.2976 219.1338 -202994.2401 2429.3032 0.0000 0.0000 51819.7291 -109475.3690 297.8087 -161295.0981 -109117.5072 299.5878 -39.3690 -8.0078 759874.4697 5.2308 5.1551 PRESSURE: 1255600 216.23 25.3797 78.8619 25.3798 85.9391 143.039 78.8613 143.038 -237.926 GPRESSURE: 1255600 266.958 21.7838 109.29 35.6339 96.2775 203.418 1.01588 296.656 -205.613 PRESSAVG: 1255600 23.3471 -24.3356 4.01153 -24.3357 -28.1555 -1.9433 4.01158 -1.94333 -2.40881 GPRESSAVG: 1255600 23.565 -21.9371 4.2257 -26.274 -27.4267 -3.45665 2.89475 -1.29424 -3.29415 TIMING: 1255600 CPU: 3956.66, 0.00316419/step Wall: 3956.66, 0.00316419/step, 3.29111 hours remaining, 238.160156 MB of memory in use. ENERGY: 1255600 4016.0444 20569.3885 14444.6684 244.5193 -203597.2738 2842.6631 0.0000 0.0000 52098.8760 -109381.1142 299.4130 -161479.9902 -109025.5541 298.9624 21.4144 52.5409 761588.8540 -2.4057 -2.3853 PRESSURE: 1255800 61.5597 38.3499 281.763 38.3512 132.65 94.8111 281.763 94.8105 19.0144 GPRESSURE: 1255800 94.9877 40.3776 222.462 182.55 137.338 99.3253 261.528 175.367 67.7838 PRESSAVG: 1255800 28.5882 22.4673 -6.09332 22.4674 -29.1521 14.5201 -6.0934 14.52 -26.3045 GPRESSAVG: 1255800 28.8011 22.3007 -5.92443 23.7119 -29.8354 15.3105 -6.16726 12.0634 -26.6333 TIMING: 1255800 CPU: 3957.29, 0.00318007/step Wall: 3957.29, 0.00318007/step, 3.30745 hours remaining, 238.160156 MB of memory in use. ENERGY: 1255800 3966.5578 20512.1386 14456.6831 261.9871 -203776.5446 2911.8987 0.0000 0.0000 52123.9456 -109543.3335 299.5570 -161667.2792 -109177.3128 299.1650 71.0747 100.0364 760828.7477 -8.9561 -9.2225 PRESSURE: 1256000 -56.0992 -161.618 -102.479 -161.618 82.2626 -180.663 -102.48 -180.663 232.53 GPRESSURE: 1256000 -56.2563 -80.1716 -131.209 -122.212 133.118 -192.049 -84.2925 -181.469 286.733 PRESSAVG: 1256000 -33.5714 30.547 18.9178 30.547 16.3373 2.13739 18.9178 2.13739 19.5942 GPRESSAVG: 1256000 -33.675 29.4151 19.154 29.6556 17.0392 0.683799 18.4824 4.0272 18.7941 TIMING: 1256000 CPU: 3957.93, 0.00318052/step Wall: 3957.93, 0.00318052/step, 3.30774 hours remaining, 238.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1256000 3909.9316 20615.3689 14409.4599 256.4383 -203202.9461 2746.8161 0.0000 0.0000 51796.8705 -109468.0609 297.6773 -161264.9314 -109108.4188 299.4936 86.2311 121.1982 761772.9530 0.7867 0.7194 PRESSURE: 1256200 -125.959 -87.5466 114.319 -87.5465 -404.006 -148.915 114.318 -148.915 286.239 GPRESSURE: 1256200 -82.3046 -72.7475 227.63 -121.352 -397.039 -106.834 50.3125 -188.694 305.168 PRESSAVG: 1256200 29.9954 -32.1281 3.01272 -32.128 -16.9555 -7.79094 3.01273 -7.79095 4.46076 GPRESSAVG: 1256200 28.7161 -29.637 3.39297 -32.1829 -16.1643 -7.09048 4.02335 -8.01835 4.83111 TIMING: 1256200 CPU: 3958.56, 0.0031782/step Wall: 3958.56, 0.0031782/step, 3.30515 hours remaining, 238.164062 MB of memory in use. ENERGY: 1256200 3916.7615 20563.9836 14376.9020 238.9012 -203378.6746 2550.0795 0.0000 0.0000 52079.1831 -109652.8636 299.2998 -161732.0467 -109292.6176 299.0206 -81.2422 -58.0587 759894.8492 5.8335 5.7943 LDB: ============= START OF LOAD BALANCING ============== 3970.96 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3970.97 LDB: =============== DONE WITH MIGRATION ================ 3970.97 LDB: ============= START OF LOAD BALANCING ============== 3971.28 LDB: Largest compute 7077 load 0.033884 is 17.3% of average load 0.196004 LDB: Average compute 0.004373 is 2.2% of average load 0.196004 LDB: TIME 3971.29 LOAD: AVG 0.196004 MAX 0.212611 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.836 MB LDB: TIME 3971.29 LOAD: AVG 0.196004 MAX 0.212611 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.043 MB LDB: TIME 3971.29 LOAD: AVG 0.196004 MAX 0.212611 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.043 MB LDB: ============== END OF LOAD BALANCING =============== 3971.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3971.29 PRESSURE: 1256400 -55.4166 -119.845 46.5412 -119.846 46.5687 70.3222 46.5413 70.3231 -290.891 GPRESSURE: 1256400 -71.0085 6.21145 37.5567 -197.747 91.5061 137.575 63.4908 -52.9151 -238.892 PRESSAVG: 1256400 -9.2667 -38.3233 -20.9434 -38.3233 26.3835 27.2289 -20.9435 27.2289 -9.09621 GPRESSAVG: 1256400 -8.81931 -39.679 -22.2477 -36.3172 25.6096 28.2732 -20.8218 25.0007 -8.84423 TIMING: 1256400 CPU: 3959.21, 0.00323123/step Wall: 3959.21, 0.00323123/step, 3.36012 hours remaining, 236.812500 MB of memory in use. ENERGY: 1256400 3997.3309 20598.4075 14355.4853 244.7062 -203311.4989 2500.1555 0.0000 0.0000 52071.1594 -109544.2542 299.2537 -161615.4135 -109183.6097 299.4295 -99.9130 -72.7981 760592.5949 2.6735 2.6487 PRESSURE: 1256600 -78.3035 -92.9223 -102.079 -92.9219 -271.054 364.912 -102.08 364.913 221.639 GPRESSURE: 1256600 -16.5243 -69.6928 -107.281 -118.878 -265.243 284.005 -238.553 294.661 220.887 PRESSAVG: 1256600 -27.1425 -45.5523 -41.2387 -45.5521 -18.2419 11.9626 -41.2386 11.9626 -9.06353 GPRESSAVG: 1256600 -25.7073 -44.792 -41.0818 -47.2388 -19.9034 10.3929 -41.0415 14.4552 -8.545 TIMING: 1256600 CPU: 3959.84, 0.00316539/step Wall: 3959.84, 0.00316539/step, 3.29148 hours remaining, 236.812500 MB of memory in use. ENERGY: 1256600 3986.7441 20390.1852 14392.1610 236.2458 -202835.7058 2338.4760 0.0000 0.0000 52083.9397 -109407.9540 299.3271 -161491.8937 -109042.5864 299.0540 -42.5729 -20.2935 761894.4357 -18.1493 -18.0519 PRESSURE: 1256800 392.002 -9.43686 -323.086 -9.43654 237.901 -110.223 -323.087 -110.224 212.988 GPRESSURE: 1256800 421.972 -69.288 -201.713 -100.873 273.665 28.1779 -392.133 -58.0417 230.111 PRESSAVG: 1256800 -33.1122 3.11299 -6.34525 3.11305 23.0911 -14.6668 -6.34526 -14.6667 10.2489 GPRESSAVG: 1256800 -34.1376 1.9303 -6.32491 1.49238 24.4526 -15.2221 -6.57746 -14.0729 9.7941 TIMING: 1256800 CPU: 3960.47, 0.00314492/step Wall: 3960.47, 0.00314492/step, 3.27002 hours remaining, 236.812500 MB of memory in use. ENERGY: 1256800 3948.5671 20618.9166 14429.6665 263.1039 -203604.5277 2827.6060 0.0000 0.0000 52119.0981 -109397.5696 299.5292 -161516.6677 -109036.3476 299.1840 280.9636 308.5827 760178.2288 0.0759 0.0364 PRESSURE: 1257000 -421.023 109.416 -76.4956 109.417 -98.2593 -76.601 -76.4956 -76.6011 -116.663 GPRESSURE: 1257000 -325.594 188.217 -99.9614 83.7301 6.88867 -144.823 15.9723 -233.264 -214.147 PRESSAVG: 1257000 8.80766 -4.10337 -12.2445 -4.10338 -14.8897 -14.2954 -12.2445 -14.2955 11.0207 GPRESSAVG: 1257000 8.67722 -4.32244 -11.6903 -2.06905 -15.6441 -14.312 -11.0997 -15.297 11.6322 TIMING: 1257000 CPU: 3961.1, 0.00316027/step Wall: 3961.1, 0.00316027/step, 3.2858 hours remaining, 236.812500 MB of memory in use. ENERGY: 1257000 3985.3236 20603.2145 14414.1985 250.6132 -203469.3315 2657.5576 0.0000 0.0000 52033.4028 -109525.0212 299.0367 -161558.4240 -109161.3712 299.0956 -211.9818 -177.6177 762269.3047 1.6462 1.5551 PRESSURE: 1257200 -74.4812 -91.9025 86.6543 -91.9012 -68.3461 -10.0101 86.6544 -10.0109 304.687 GPRESSURE: 1257200 -9.74596 -33.2971 109.518 -32.4034 5.75958 47.5915 -7.83834 -59.5364 246.612 PRESSAVG: 1257200 12.1387 10.9751 7.68193 10.9751 -20.8119 25.0339 7.68189 25.0339 -7.9188 GPRESSAVG: 1257200 11.8161 10.2119 6.90406 10.6653 -20.2946 25.5878 6.5921 24.3985 -8.51542 TIMING: 1257200 CPU: 3961.74, 0.00315974/step Wall: 3961.74, 0.00315974/step, 3.28508 hours remaining, 236.812500 MB of memory in use. ENERGY: 1257200 3997.9359 20422.1789 14467.4966 252.7837 -203370.4151 2549.2006 0.0000 0.0000 51992.8384 -109687.9811 298.8036 -161680.8194 -109321.4951 299.0140 53.9533 80.8751 761369.8269 -5.5307 -5.6646 PRESSURE: 1257400 88.8394 -22.94 -156.265 -22.9404 100.656 -77.4674 -156.264 -77.4676 478.408 GPRESSURE: 1257400 145.776 -54.6724 -156.482 -62.6112 127.049 -79.502 -135.047 10.0461 469.592 PRESSAVG: 1257400 21.5847 -14.8131 39.6134 -14.813 -18.0485 14.785 39.6134 14.785 22.2614 GPRESSAVG: 1257400 22.1332 -14.3015 40.9193 -13.3625 -18.1803 14.9826 41.2313 16.0548 21.7788 TIMING: 1257400 CPU: 3962.37, 0.00315252/step Wall: 3962.37, 0.00315252/step, 3.2774 hours remaining, 236.812500 MB of memory in use. ENERGY: 1257400 3923.8322 20552.8587 14505.3753 260.1649 -203259.4128 2765.8473 0.0000 0.0000 51707.3393 -109543.9950 297.1628 -161251.3344 -109187.6516 298.9771 222.6346 247.4724 761450.4805 8.5992 8.5772 PRESSURE: 1257600 -158.171 -39.8326 -52.7919 -39.832 219.938 266.574 -52.7925 266.574 -93.5648 GPRESSURE: 1257600 -87.496 -171.678 -14.2654 -78.2246 165.203 347.37 -104.552 116.03 -0.66322 PRESSAVG: 1257600 13.9282 -26.4304 19.8806 -26.4304 -2.99325 17.3628 19.8806 17.3628 -19.4595 GPRESSAVG: 1257600 14.6526 -24.1805 21.1515 -28.1768 -3.28624 18.4273 17.2909 15.5618 -19.4672 TIMING: 1257600 CPU: 3963, 0.00316434/step Wall: 3963, 0.00316434/step, 3.2895 hours remaining, 236.812500 MB of memory in use. ENERGY: 1257600 3874.8069 20566.2037 14459.7167 258.6593 -203573.4219 2673.5330 0.0000 0.0000 52220.0712 -109520.4309 300.1095 -161740.5022 -109145.4721 299.5098 -10.5991 25.6813 761561.5359 -2.8415 -2.7003 PRESSURE: 1257800 152.765 132.261 -66.7217 132.262 -80.3905 74.1302 -66.7217 74.1293 -57.9114 GPRESSURE: 1257800 277.239 262.406 -2.09671 124.992 -21.939 178.101 -69.4951 -138.82 -137.626 PRESSAVG: 1257800 38.6647 -7.70106 15.7037 -7.70109 -9.72241 -6.64968 15.7037 -6.64966 1.36415 GPRESSAVG: 1257800 38.0722 -7.37625 13.5809 -6.47867 -9.23071 -7.94482 15.8496 -6.29751 2.01125 TIMING: 1257800 CPU: 3963.63, 0.0031608/step Wall: 3963.63, 0.0031608/step, 3.28565 hours remaining, 236.812500 MB of memory in use. ENERGY: 1257800 3989.6284 20441.4677 14453.3531 263.5233 -203775.6898 2644.7485 0.0000 0.0000 52167.0819 -109815.8868 299.8049 -161982.9687 -109458.1839 299.2378 4.8210 39.2247 761283.8923 10.1022 10.2843 PRESSURE: 1258000 45.0886 -24.5684 -62.041 -24.5676 -19.2732 -120.625 -62.0403 -120.625 400.685 GPRESSURE: 1258000 89.1234 83.5704 -41.0111 56.2723 -46.7753 -146.329 28.4012 -66.0152 449.196 PRESSAVG: 1258000 17.7293 15.0465 -30.6491 15.0465 9.28659 44.5291 -30.649 44.5292 5.55235 GPRESSAVG: 1258000 17.271 13.4507 -28.1493 15.1708 9.55044 44.7314 -33.0971 44.9416 5.49395 TIMING: 1258000 CPU: 3964.26, 0.00315774/step Wall: 3964.26, 0.00315774/step, 3.28229 hours remaining, 236.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1258000 3916.4169 20592.4606 14448.6449 259.1587 -203975.0103 2789.5276 0.0000 0.0000 51944.9208 -110023.8809 298.5282 -161968.8016 -109665.5743 298.5966 142.1669 163.8479 759742.7948 10.8561 10.7718 PRESSURE: 1258200 -11.6434 -15.1465 38.068 -15.1466 -20.1219 36.943 38.0675 36.9437 243.62 GPRESSURE: 1258200 10.5454 7.72689 53.5011 -8.10601 32.2542 -11.7058 -24.9642 -120.864 241.739 PRESSAVG: 1258200 -16.3381 -26.4575 -27.423 -26.4575 -5.76686 15.7979 -27.423 15.7979 1.88873 GPRESSAVG: 1258200 -17.2514 -26.23 -29.4324 -27.8488 -4.09981 15.5427 -23.3041 13.8541 1.4064 TIMING: 1258200 CPU: 3964.9, 0.00316405/step Wall: 3964.9, 0.00316405/step, 3.28868 hours remaining, 236.812500 MB of memory in use. ENERGY: 1258200 3944.2919 20513.7161 14411.8261 250.4783 -203876.6916 2817.6865 0.0000 0.0000 51832.6773 -110106.0154 297.8831 -161938.6927 -109748.3766 297.5836 70.6184 94.8462 761534.1554 -6.7387 -6.6483 PRESSURE: 1258400 145.511 106.232 391.776 106.233 254.505 130.274 391.776 130.274 188.302 GPRESSURE: 1258400 144.163 80.6185 374.283 182.943 276.389 107.761 283.542 194.223 242.106 PRESSAVG: 1258400 12.4016 -24.7529 28.0427 -24.7528 2.98897 31.5771 28.0426 31.5771 11.8792 GPRESSAVG: 1258400 13.4387 -26.1024 28.7171 -22.1215 2.47173 30.4647 27.858 32.1291 11.632 TIMING: 1258400 CPU: 3965.53, 0.00314865/step Wall: 3965.53, 0.00314865/step, 3.2725 hours remaining, 236.812500 MB of memory in use. ENERGY: 1258400 3991.4039 20416.9401 14384.3681 246.9773 -204204.0685 3234.2442 0.0000 0.0000 51810.6258 -110119.5092 297.7564 -161930.1350 -109755.5597 298.3068 196.1058 220.8862 759374.5530 9.0899 9.1808 PRESSURE: 1258600 147.846 -91.6401 82.3372 -91.6399 190.713 -42.5917 82.3372 -42.5926 162.585 GPRESSURE: 1258600 164.805 -191.248 27.8329 -81.2521 254.003 1.46302 44.9624 -74.9429 179.863 PRESSAVG: 1258600 4.40499 -6.13814 46.7305 -6.13807 -15.0306 7.78798 46.7305 7.78805 -14.1755 GPRESSAVG: 1258600 4.68507 -4.80836 46.7254 -8.89758 -16.6503 6.99194 45.9685 9.84659 -12.711 TIMING: 1258600 CPU: 3966.16, 0.00315429/step Wall: 3966.16, 0.00315429/step, 3.27818 hours remaining, 236.812500 MB of memory in use. ENERGY: 1258600 3974.0241 20394.2009 14400.8160 259.6071 -203688.0627 2676.6919 0.0000 0.0000 51912.9238 -110069.7989 298.3443 -161982.7226 -109714.6975 298.7467 167.0478 199.5568 760806.8014 -8.2670 -8.2254 PRESSURE: 1258800 83.9344 -142.823 41.3363 -142.823 36.0378 37.3654 41.3365 37.3656 -119.937 GPRESSURE: 1258800 110.933 -21.2392 -15.4946 -146.809 99.3232 -7.9 3.87609 62.2161 -117.041 PRESSAVG: 1258800 25.2209 -46.2265 60.1004 -46.2265 -51.1018 -5.21673 60.1003 -5.21679 6.97226 GPRESSAVG: 1258800 24.434 -47.2584 60.4029 -45.0688 -50.2061 -3.55178 61.1231 -6.05715 6.86846 TIMING: 1258800 CPU: 3966.79, 0.00316611/step Wall: 3966.79, 0.00316611/step, 3.29029 hours remaining, 236.812500 MB of memory in use. ENERGY: 1258800 3934.8518 20344.0795 14412.0284 249.8243 -203412.7387 2640.6171 0.0000 0.0000 51922.4501 -109908.8876 298.3990 -161831.3376 -109541.4538 298.5015 0.0118 31.0718 761731.9558 -6.3029 -6.3012 PRESSURE: 1259000 -137.591 -113.277 102.412 -113.277 -639.549 93.9 102.411 93.9007 -204.888 GPRESSURE: 1259000 -133.26 -105.008 208.553 -65.7004 -531.553 91.4197 -25.8069 22.8966 -241.759 PRESSAVG: 1259000 6.74395 -54.6144 10.9402 -54.6145 18.4436 -10.6407 10.9403 -10.6406 14.6655 GPRESSAVG: 1259000 8.64273 -54.2603 10.7855 -53.4896 18.4779 -10.8665 8.58224 -9.79254 12.4759 TIMING: 1259000 CPU: 3967.43, 0.00318392/step Wall: 3967.43, 0.00318392/step, 3.30863 hours remaining, 236.812500 MB of memory in use. ENERGY: 1259000 4008.2924 20518.4239 14472.5251 247.2326 -203746.5118 2583.8118 0.0000 0.0000 52139.0299 -109777.1960 299.6437 -161916.2260 -109411.6481 298.8545 -327.3425 -302.1910 759485.2469 13.2843 13.1988 PRESSURE: 1259200 -198.287 91.3033 -0.471618 91.3029 99.4789 65.1867 -0.471204 65.1872 -240.832 GPRESSURE: 1259200 -181.641 93.2842 -29.4703 41.3343 -24.8441 58.5087 10.462 141.011 -71.9574 PRESSAVG: 1259200 20.361 -28.262 -18.3479 -28.262 -17.3896 0.697756 -18.3479 0.697682 7.40507 GPRESSAVG: 1259200 18.2955 -29.5295 -17.5727 -28.2849 -17.2758 0.806931 -20.0241 -0.00921492 9.23398 TIMING: 1259200 CPU: 3968.06, 0.00315304/step Wall: 3968.06, 0.00315304/step, 3.27636 hours remaining, 236.812500 MB of memory in use. ENERGY: 1259200 3982.7134 20471.8806 14494.5741 257.7509 -202967.7022 2228.7002 0.0000 0.0000 51798.5347 -109733.5483 297.6869 -161532.0830 -109374.2108 299.3311 -113.2135 -92.8141 761251.5967 3.4588 3.4179 PRESSURE: 1259400 259.234 48.2595 -156.326 48.2598 14.7388 -213.799 -156.325 -213.799 -233.854 GPRESSURE: 1259400 262.296 30.317 -153.338 61.7433 140.105 -223.229 -139.444 -181.378 -287.269 PRESSAVG: 1259400 81.6945 -65.7801 -15.0341 -65.78 -69.1383 12.3914 -15.0341 12.3913 10.3725 GPRESSAVG: 1259400 82.8247 -63.4146 -14.5038 -65.6791 -69.4858 11.4244 -11.4152 12.0137 9.69097 TIMING: 1259400 CPU: 3968.69, 0.00316732/step Wall: 3968.69, 0.00316732/step, 3.29102 hours remaining, 236.812500 MB of memory in use. ENERGY: 1259400 4034.2970 20516.7254 14482.5515 243.0813 -203735.2604 2833.1497 0.0000 0.0000 51899.3307 -109726.1248 298.2662 -161625.4555 -109371.5347 298.6350 13.3728 38.3771 761041.2269 7.6429 7.6766 PRESSURE: 1259600 -46.2424 -49.1117 55.3319 -49.1109 261.331 -0.000963394 55.3316 -0.00114567 80.7455 GPRESSURE: 1259600 37.2095 -39.4209 94.8674 0.621187 169.884 31.7852 126.861 5.30574 171.396 PRESSAVG: 1259600 11.0352 13.8922 30.0249 13.8921 -53.4757 -28.8512 30.025 -28.8513 7.80975 GPRESSAVG: 1259600 10.2513 14.3688 30.0322 12.8202 -53.6015 -27.5065 31.611 -29.8543 8.65415 TIMING: 1259600 CPU: 3969.32, 0.00315805/step Wall: 3969.32, 0.00315805/step, 3.28121 hours remaining, 236.812500 MB of memory in use. ENERGY: 1259600 3967.2553 20507.0330 14454.8533 233.1103 -204180.2280 2991.0147 0.0000 0.0000 52340.4657 -109686.4957 300.8014 -162026.9614 -109331.4941 298.9908 98.6114 126.1634 761154.5185 -11.5436 -11.5653 PRESSURE: 1259800 159.557 -82.1284 119.962 -82.128 89.1558 -184.846 119.961 -184.845 -305.749 GPRESSURE: 1259800 152.192 -61.4852 131.728 -103.736 94.3242 -176.738 87.5934 -125.086 -193.942 PRESSAVG: 1259800 0.683626 -56.5057 13.531 -56.5057 -6.29589 -0.196858 13.531 -0.196938 7.28282 GPRESSAVG: 1259800 1.7908 -58.2958 12.4973 -55.9586 -6.86003 -1.07298 12.6581 1.29588 6.64121 TIMING: 1259800 CPU: 3969.96, 0.00316211/step Wall: 3969.96, 0.00316211/step, 3.28526 hours remaining, 236.812500 MB of memory in use. ENERGY: 1259800 4003.7514 20390.2863 14407.9625 264.1668 -203614.1627 2864.0871 0.0000 0.0000 52163.3037 -109520.6048 299.7832 -161683.9085 -109160.8202 299.4349 -19.0120 17.5245 762861.2558 0.5569 0.5240 PRESSURE: 1260000 -196.25 -94.322 14.171 -94.3216 -480.371 -57.8509 14.1714 -57.8514 -215.383 GPRESSURE: 1260000 -172.094 17.8544 103.865 -154.433 -351.101 -68.8271 -75.4838 110.077 -282.854 PRESSAVG: 1260000 0.818269 -46.2364 -12.0366 -46.2365 -0.830843 30.3213 -12.0367 30.3212 7.3788 GPRESSAVG: 1260000 -0.387574 -44.5689 -11.5042 -46.8086 0.561012 31.5802 -15.0687 30.072 7.52539 TIMING: 1260000 CPU: 3970.58, 0.00314332/step Wall: 3970.58, 0.00314332/step, 3.26556 hours remaining, 236.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1260000 3967.7876 20497.7227 14395.9021 260.3901 -203248.9873 2374.8307 0.0000 0.0000 52355.2206 -109397.1336 300.8862 -161752.3542 -109024.2839 299.3623 -297.3348 -268.6830 762045.4542 2.4554 2.5663 PRESSURE: 1260200 -4.74122 -46.5171 -45.5081 -46.5171 -22.0856 80.0372 -45.5077 80.0376 -61.9363 GPRESSURE: 1260200 3.67201 -37.3036 -76.0713 -93.5103 20.11 11.7043 -16.5415 60.428 -22.3778 PRESSAVG: 1260200 39.9795 -0.0876867 -9.10457 -0.0876914 -39.2345 65.6733 -9.10455 65.6733 12.4285 GPRESSAVG: 1260200 40.4572 -2.22427 -9.84601 2.35399 -40.3325 66.5585 -7.48197 64.0705 13.0405 TIMING: 1260200 CPU: 3971.21, 0.00314791/step Wall: 3971.21, 0.00314791/step, 3.27015 hours remaining, 236.812500 MB of memory in use. ENERGY: 1260200 4004.6703 20370.4537 14409.9798 242.4439 -203169.9531 2534.0875 0.0000 0.0000 52077.2875 -109531.0303 299.2889 -161608.3179 -109159.1219 299.2146 -29.5877 0.4681 760244.1268 4.3912 4.3884 LDB: ============= START OF LOAD BALANCING ============== 3983.61 LDB: ============== END OF LOAD BALANCING =============== 3983.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3983.61 LDB: ============= START OF LOAD BALANCING ============== 3983.93 LDB: Largest compute 7077 load 0.034953 is 17.8% of average load 0.195965 LDB: Average compute 0.004376 is 2.2% of average load 0.195965 LDB: TIME 3983.93 LOAD: AVG 0.195965 MAX 0.214146 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 3983.93 LOAD: AVG 0.195965 MAX 0.214146 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.32 MB LDB: TIME 3983.93 LOAD: AVG 0.195965 MAX 0.214146 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.32 MB LDB: ============== END OF LOAD BALANCING =============== 3983.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3983.94 PRESSURE: 1260400 -235.946 63.582 -214.639 63.5825 -182.411 222.545 -214.638 222.544 -67.126 GPRESSURE: 1260400 -188.328 41.9675 -173.545 55.579 -195.812 179.744 -156.11 231.35 -3.08332 PRESSAVG: 1260400 12.382 -0.228321 -45.0843 -0.228308 -4.24364 5.02818 -45.0843 5.02817 -1.05746 GPRESSAVG: 1260400 11.9675 -0.37024 -42.9464 -1.40201 -2.79159 3.47751 -45.5375 5.83443 -1.94591 TIMING: 1260400 CPU: 3971.86, 0.00322414/step Wall: 3971.86, 0.00322414/step, 3.34916 hours remaining, 239.375000 MB of memory in use. ENERGY: 1260400 3920.9146 20657.1480 14391.8552 258.8475 -202828.7775 2361.1055 0.0000 0.0000 51744.2020 -109494.7046 297.3746 -161238.9067 -109128.1837 299.0183 -161.8279 -129.0748 762363.4252 2.3603 2.4100 PRESSURE: 1260600 132.934 141.937 151.79 141.938 -243.757 -277.128 151.79 -277.129 -123.951 GPRESSURE: 1260600 112.456 248.696 145.226 -60.739 -231.028 -218.96 160.898 -283.935 -27.3538 PRESSAVG: 1260600 21.8594 4.37144 -4.92166 4.37145 -8.45402 15.2636 -4.92168 15.2636 -6.37795 GPRESSAVG: 1260600 22.6295 5.39258 -5.17389 4.49712 -8.37528 15.321 -4.20181 15.9606 -6.69923 TIMING: 1260600 CPU: 3972.49, 0.00315537/step Wall: 3972.49, 0.00315537/step, 3.27755 hours remaining, 239.445312 MB of memory in use. ENERGY: 1260600 3990.4417 20456.6643 14365.0427 248.6563 -203148.6076 2639.7344 0.0000 0.0000 52066.4233 -109381.6451 299.2265 -161448.0684 -109010.4658 299.2008 -78.2581 -48.6418 760756.3322 2.3425 2.5183 PRESSURE: 1260800 -167.67 -60.3321 19.8221 -60.3303 34.8091 159.136 19.8216 159.135 -300.883 GPRESSURE: 1260800 -157.861 14.8526 23.8058 -121.672 47.794 81.3535 -143.88 79.0695 -246.436 PRESSAVG: 1260800 -16.5757 18.4726 30.6436 18.4725 -1.49524 8.3716 30.6436 8.37162 -5.08234 GPRESSAVG: 1260800 -17.0952 17.9239 29.0552 17.6215 -2.05798 8.83221 30.0226 9.47503 -3.80731 TIMING: 1260800 CPU: 3973.13, 0.00317729/step Wall: 3973.13, 0.00317729/step, 3.30014 hours remaining, 239.445312 MB of memory in use. ENERGY: 1260800 4033.5948 20720.0465 14413.7635 249.8090 -202695.5986 2180.0669 0.0000 0.0000 51944.4910 -109153.8268 298.5257 -161098.3178 -108802.7376 299.4732 -144.5812 -118.8346 760314.1050 -7.7178 -7.6535 PRESSURE: 1261000 49.9727 -14.7924 44.3803 -14.7919 45.2117 236.182 44.3794 236.182 -173.554 GPRESSURE: 1261000 80.7603 -25.5962 48.0784 78.5276 32.8314 319.728 82.6647 287.946 -102.207 PRESSAVG: 1261000 -0.73563 4.30788 14.9895 4.3079 -8.32222 24.4696 14.9895 24.4696 1.8606 GPRESSAVG: 1261000 -0.788408 4.72096 15.8741 4.17041 -8.3848 24.851 16.0467 21.8699 1.57873 TIMING: 1261000 CPU: 3973.76, 0.00317936/step Wall: 3973.76, 0.00317936/step, 3.30212 hours remaining, 239.445312 MB of memory in use. ENERGY: 1261000 3947.7068 20490.3754 14324.9054 252.9722 -203147.6467 2624.4491 0.0000 0.0000 52191.5100 -109315.7277 299.9453 -161507.2378 -108958.1663 299.4678 -26.1232 3.7948 761550.3694 -2.3991 -2.5315 PRESSURE: 1261200 -87.2756 -137.97 281.612 -137.97 -70.8273 -13.2549 281.613 -13.2558 17.5335 GPRESSURE: 1261200 -142.49 -142.388 315.515 -170.331 14.6873 21.4446 306.566 -32.921 72.3875 PRESSAVG: 1261200 42.4306 -18.8261 6.88494 -18.8262 -6.32065 -4.87461 6.8849 -4.8746 -5.51148 GPRESSAVG: 1261200 41.6212 -17.7447 6.10484 -19.5186 -5.70285 -5.61561 6.61917 -2.90315 -4.97534 TIMING: 1261200 CPU: 3974.39, 0.0031566/step Wall: 3974.39, 0.0031566/step, 3.2783 hours remaining, 239.445312 MB of memory in use. ENERGY: 1261200 3989.1074 20343.0705 14438.0013 254.1311 -203338.0031 2605.2317 0.0000 0.0000 52159.4911 -109548.9700 299.7613 -161708.4611 -109194.9178 299.5350 -46.8565 -18.4718 763123.1530 10.1995 10.3144 PRESSURE: 1261400 -60.7579 140.762 -21.0693 140.762 68.1558 -6.63019 -21.0689 -6.63101 341.742 GPRESSURE: 1261400 44.83 78.4408 -78.3004 122.081 17.4055 -104.458 -57.343 -106.691 368.315 PRESSAVG: 1261400 60.2585 11.7583 -0.995985 11.7583 -40.2478 -37.5151 -0.995922 -37.515 0.404499 GPRESSAVG: 1261400 61.6757 12.8343 -0.185506 12.744 -40.0386 -36.3387 0.286851 -39.353 -0.857987 TIMING: 1261400 CPU: 3975.02, 0.00315558/step Wall: 3975.02, 0.00315558/step, 3.27707 hours remaining, 239.445312 MB of memory in use. ENERGY: 1261400 3906.6616 20693.0260 14532.5729 269.9651 -203373.8796 2615.3369 0.0000 0.0000 51870.3740 -109485.9431 298.0998 -161356.3171 -109131.9801 298.9431 116.3799 143.5167 762528.0360 6.8051 6.9264 PRESSURE: 1261600 107.606 -46.5854 101.574 -46.586 -380.473 -30.4835 101.575 -30.4837 -90.8137 GPRESSURE: 1261600 17.8112 16.0167 59.3567 14.0165 -256.85 12.7021 42.6467 -156.133 -23.4769 PRESSAVG: 1261600 37.7394 18.5942 59.0733 18.5942 -76.2893 32.264 59.0733 32.264 2.31917 GPRESSAVG: 1261600 37.1678 16.258 57.6369 20.5316 -75.4195 30.3375 58.5817 33.9913 1.91126 TIMING: 1261600 CPU: 3975.65, 0.00313768/step Wall: 3975.65, 0.00313768/step, 3.25831 hours remaining, 239.445312 MB of memory in use. ENERGY: 1261600 4075.1880 20555.9020 14421.7328 232.9487 -203175.1382 2482.9637 0.0000 0.0000 51952.2624 -109454.1406 298.5704 -161406.4031 -109097.6192 299.4419 -121.2268 -87.5051 762509.9004 -12.0769 -12.1135 PRESSURE: 1261800 -6.85305 35.7304 -64.7277 35.7303 235.276 -24.8055 -64.7273 -24.8061 -79.4217 GPRESSURE: 1261800 -62.5894 -10.7071 -40.3505 -57.8775 299.912 -28.5442 -15.8548 -17.8664 -2.33302 PRESSAVG: 1261800 70.6353 36.7644 -18.1133 36.7644 -39.4289 -16.7133 -18.1134 -16.7134 -2.41106 GPRESSAVG: 1261800 70.8948 38.6334 -18.147 35.071 -39.975 -15.8835 -18.7765 -16.5498 -2.15128 TIMING: 1261800 CPU: 3976.28, 0.00314326/step Wall: 3976.28, 0.00314326/step, 3.26393 hours remaining, 239.445312 MB of memory in use. ENERGY: 1261800 4023.7827 20522.8055 14395.9703 249.9638 -203474.0482 2618.1038 0.0000 0.0000 52088.4058 -109575.0163 299.3528 -161663.4220 -109215.7041 299.2313 49.6672 78.3297 762315.7290 9.5984 9.5895 PRESSURE: 1262000 38.7397 -88.6614 -28.4062 -88.6618 52.26 101.966 -28.406 101.966 82.6154 GPRESSURE: 1262000 156.645 -210.911 -123.354 -114.432 -78.5676 138.52 -45.4326 163.026 150.971 PRESSAVG: 1262000 1.53785 2.39759 -10.8948 2.39767 -54.2048 -1.67063 -10.8948 -1.67054 -1.11763 GPRESSAVG: 1262000 0.684998 1.30199 -11.3945 2.60711 -55.7387 -2.32668 -10.1335 -0.807143 0.533884 TIMING: 1262000 CPU: 3976.91, 0.00314756/step Wall: 3976.91, 0.00314756/step, 3.26821 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1262000 3994.9560 20536.8989 14526.3913 231.5613 -203515.1192 2353.9409 0.0000 0.0000 52140.7213 -109730.6495 299.6534 -161871.3709 -109362.5040 298.8842 57.8717 76.3496 760936.9956 -17.9282 -18.1733 PRESSURE: 1262200 -75.1909 -61.8524 -147.421 -61.8534 6.33262 -270.437 -147.421 -270.437 -368.674 GPRESSURE: 1262200 -92.039 -78.8742 -166.603 -185.495 62.6804 -304.979 -127.487 -121.949 -325.521 PRESSAVG: 1262200 -10.2243 0.0370631 48.0098 0.0370067 24.239 -6.72085 48.0098 -6.72084 -2.47671 GPRESSAVG: 1262200 -10.4911 -0.345205 49.4966 -1.41555 25.6693 -5.31261 45.7389 -8.65548 -3.25787 TIMING: 1262200 CPU: 3977.54, 0.00316868/step Wall: 3977.54, 0.00316868/step, 3.28997 hours remaining, 239.445312 MB of memory in use. ENERGY: 1262200 4051.5862 20551.6672 14500.9209 263.3830 -203131.9686 2295.7454 0.0000 0.0000 51980.6369 -109488.0290 298.7334 -161468.6659 -109121.3068 299.0935 -145.8443 -118.2932 759040.5023 3.8460 3.9735 PRESSURE: 1262400 -95.2271 -79.5334 61.3134 -79.5332 139.09 33.8852 61.3136 33.8856 74.1865 GPRESSURE: 1262400 -57.5468 -6.45143 -31.7964 -50.3585 183.824 54.1525 87.0785 17.7519 75.8272 PRESSAVG: 1262400 34.9117 -19.5602 -18.5074 -19.5603 5.09568 -14.0109 -18.5074 -14.011 4.20351 GPRESSAVG: 1262400 35.9677 -20.4993 -17.6037 -17.0889 4.22429 -13.8297 -17.6768 -13.8585 3.55982 TIMING: 1262400 CPU: 3978.17, 0.00315254/step Wall: 3978.17, 0.00315254/step, 3.27304 hours remaining, 239.445312 MB of memory in use. ENERGY: 1262400 3949.7592 20622.6496 14422.7855 234.4609 -204018.1567 2981.5990 0.0000 0.0000 52241.1086 -109565.7939 300.2304 -161806.9025 -109200.0767 299.5344 39.3499 67.3680 761698.7229 14.7370 14.5839 PRESSURE: 1262600 -30.4181 -131.774 -5.65632 -131.774 56.6927 51.2986 -5.65624 51.299 30.098 GPRESSURE: 1262600 -4.97113 -211.371 29.8903 -239.73 55.2816 82.606 6.61642 8.6469 100.369 PRESSAVG: 1262600 -4.96283 -33.6455 -21.9773 -33.6456 -43.6036 27.5609 -21.9773 27.5609 -25.5264 GPRESSAVG: 1262600 -4.92954 -31.6307 -23.3617 -38.0724 -43.2188 27.9274 -22.4812 27.0018 -24.9999 TIMING: 1262600 CPU: 3978.8, 0.00314172/step Wall: 3978.8, 0.00314172/step, 3.26162 hours remaining, 239.445312 MB of memory in use. ENERGY: 1262600 3966.6251 20390.1653 14525.5169 245.1142 -203731.3396 2759.5242 0.0000 0.0000 52420.7668 -109423.6271 301.2629 -161844.3939 -109057.3964 299.4964 18.7909 50.2264 761180.1209 -24.6976 -24.3827 PRESSURE: 1262800 -440.442 7.00746 139.736 7.00804 -715.737 40.7672 139.737 40.7687 2.40006 GPRESSURE: 1262800 -405.08 81.98 171.038 -4.62305 -619.861 86.6459 101.058 65.8077 -30.5649 PRESSAVG: 1262800 -7.35843 -51.0137 -23.9458 -51.0137 28.1103 25.6065 -23.9458 25.6065 -9.46904 GPRESSAVG: 1262800 -7.97948 -51.2919 -21.2228 -47.8266 29.085 26.6231 -24.4026 27.1405 -9.48071 TIMING: 1262800 CPU: 3979.43, 0.00315547/step Wall: 3979.43, 0.00315547/step, 3.27573 hours remaining, 239.445312 MB of memory in use. ENERGY: 1262800 4056.4206 20559.2744 14465.1857 247.7487 -203485.1667 2431.6687 0.0000 0.0000 52020.0537 -109704.8149 298.9600 -161724.8686 -109335.4245 299.3387 -384.5931 -351.8352 762041.8671 3.7610 3.8749 PRESSURE: 1263000 -293.557 -66.7686 -79.2663 -66.769 161.259 159.683 -79.2677 159.683 109.056 GPRESSURE: 1263000 -223.671 -41.6141 -162.193 -165.315 198.467 223.684 -56.8722 126.52 96.5323 PRESSAVG: 1263000 36.8198 12.6538 -7.17226 12.6539 -25.5929 55.1045 -7.17224 55.1045 -1.53987 GPRESSAVG: 1263000 37.4724 13.4346 -9.738 9.5649 -25.969 53.983 -4.62224 52.3633 -1.95524 TIMING: 1263000 CPU: 3980.07, 0.00316158/step Wall: 3980.07, 0.00316158/step, 3.28189 hours remaining, 239.445312 MB of memory in use. ENERGY: 1263000 3869.7146 20589.0604 14422.7475 263.4782 -203759.0059 2868.8680 0.0000 0.0000 52097.4659 -109647.6712 299.4049 -161745.1371 -109284.6738 299.1887 -7.7474 23.7760 762997.4150 3.2290 3.1827 PRESSURE: 1263200 74.6149 -7.10279 31.795 -7.10229 31.5567 68.4233 31.7967 68.4223 -48.7078 GPRESSURE: 1263200 79.4073 -41.8854 -7.97699 73.3862 65.3267 91.3936 -55.875 47.6688 -14.9444 PRESSAVG: 1263200 24.3217 -12.2949 -5.59345 -12.2949 -23.5578 31.1794 -5.59344 31.1795 17.9092 GPRESSAVG: 1263200 23.3917 -13.4618 -4.89892 -9.81982 -23.061 32.4985 -7.15514 31.3081 18.7492 TIMING: 1263200 CPU: 3980.7, 0.0031519/step Wall: 3980.7, 0.0031519/step, 3.27167 hours remaining, 239.445312 MB of memory in use. ENERGY: 1263200 4003.3140 20645.1067 14466.0466 243.1356 -203194.4156 2447.9276 0.0000 0.0000 51785.9868 -109602.8983 297.6148 -161388.8851 -109245.9193 299.0914 19.1546 43.2632 760872.6030 6.2244 6.3599 PRESSURE: 1263400 332.094 42.9632 144.141 42.9628 18.1973 -111.627 144.14 -111.625 198.261 GPRESSURE: 1263400 431.376 40.7748 221.234 24.7738 -6.95629 -95.1183 159.014 -38.456 184.78 PRESSAVG: 1263400 77.7554 -26.6171 10.6875 -26.6171 -52.3286 -29.61 10.6875 -29.6099 -36.0844 GPRESSAVG: 1263400 78.3647 -26.6609 10.3845 -25.6043 -52.4912 -30.9744 11.841 -28.6197 -36.3625 TIMING: 1263400 CPU: 3981.33, 0.00315137/step Wall: 3981.33, 0.00315137/step, 3.27095 hours remaining, 239.445312 MB of memory in use. ENERGY: 1263400 3928.3888 20485.5348 14440.6520 235.8511 -203598.3108 2767.4679 0.0000 0.0000 52174.4612 -109565.9550 299.8473 -161740.4162 -109196.1423 298.9029 182.8506 203.0667 759804.9605 -3.5525 -3.4963 PRESSURE: 1263600 -289.785 39.7105 40.8783 39.7111 -138.257 247.559 40.8775 247.558 -17.0159 GPRESSURE: 1263600 -192.556 -52.3822 161.547 11.6504 -130.074 269.734 64.0593 243.005 -15.3322 PRESSAVG: 1263600 13.6446 -11.8771 14.4786 -11.8772 -3.55998 19.3111 14.4786 19.3112 -5.61297 GPRESSAVG: 1263600 13.8268 -11.1316 15.6041 -11.8485 -3.85824 20.32 14.6366 19.2886 -5.44447 TIMING: 1263600 CPU: 3981.95, 0.00313215/step Wall: 3981.95, 0.00313215/step, 3.25083 hours remaining, 239.445312 MB of memory in use. ENERGY: 1263600 4010.8065 20446.0651 14536.3185 243.7201 -203555.4980 2739.4137 0.0000 0.0000 51909.2071 -109669.9670 298.3229 -161579.1741 -109311.9641 298.7904 -148.3526 -112.6539 762194.0510 1.4905 1.5080 PRESSURE: 1263800 53.4134 -78.425 147.254 -78.4255 249.639 43.1672 147.255 43.169 -256.198 GPRESSURE: 1263800 119.988 -163.078 177.876 -157.427 172.878 -31.3893 170.649 68.97 -145.132 PRESSAVG: 1263800 30.7716 -18.389 14.4948 -18.389 -3.85318 46.5376 14.4948 46.5376 -18.5896 GPRESSAVG: 1263800 30.4201 -17.0398 13.4697 -19.9867 -3.1235 46.1862 10.5748 45.4717 -19.0203 TIMING: 1263800 CPU: 3982.58, 0.00312991/step Wall: 3982.58, 0.00312991/step, 3.24832 hours remaining, 239.445312 MB of memory in use. ENERGY: 1263800 4068.0828 20631.3076 14454.4010 242.1029 -203802.8853 2666.0507 0.0000 0.0000 51954.6804 -109786.2599 298.5843 -161740.9403 -109432.2039 298.6186 15.6181 49.2448 759493.6766 2.7763 2.7588 PRESSURE: 1264000 165.099 65.1528 -27.4556 65.1532 -268.419 -222.485 -27.4553 -222.485 -100.538 GPRESSURE: 1264000 213.688 163.804 -34.7436 15.9026 -244.673 -182.703 -15.6797 -240.699 -79.6243 PRESSAVG: 1264000 23.3712 -7.04444 -38.2056 -7.04454 -15.1282 3.42554 -38.2056 3.42556 12.6165 GPRESSAVG: 1264000 23.4144 -9.22412 -38.0939 -6.57575 -15.2863 3.92363 -35.4396 4.43632 12.8534 TIMING: 1264000 CPU: 3983.21, 0.00313583/step Wall: 3983.21, 0.00313583/step, 3.2543 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1264000 4026.1515 20570.3132 14470.5386 245.2708 -203550.3444 2647.7763 0.0000 0.0000 51710.1269 -109880.1672 297.1788 -161590.2941 -109518.2703 298.5400 -67.9528 -36.8699 762014.2435 6.9531 6.9938 PRESSURE: 1264200 344.535 10.0077 21.966 10.0071 117.314 -58.579 21.9668 -58.5793 0.66704 GPRESSURE: 1264200 288.655 17.6498 10.0321 -7.79671 136.827 -94.7048 140.692 81.3468 104.379 PRESSAVG: 1264200 7.43488 -25.3211 -43.6611 -25.3212 23.8827 11.8377 -43.6612 11.8377 -8.37515 GPRESSAVG: 1264200 8.50477 -23.3432 -44.3464 -23.9727 22.9234 11.245 -43.6153 12.9025 -8.55199 TIMING: 1264200 CPU: 3983.83, 0.00313766/step Wall: 3983.83, 0.00313766/step, 3.25602 hours remaining, 239.445312 MB of memory in use. ENERGY: 1264200 3908.1093 20672.8102 14525.7607 260.3062 -203722.6685 2762.8056 0.0000 0.0000 51783.5559 -109809.3208 297.6008 -161592.8766 -109446.2279 298.4712 154.1722 176.6203 762040.1360 7.6475 7.6254 LDB: ============= START OF LOAD BALANCING ============== 3996.23 LDB: ============== END OF LOAD BALANCING =============== 3996.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3996.23 LDB: ============= START OF LOAD BALANCING ============== 3996.55 LDB: Largest compute 7057 load 0.031626 is 16.1% of average load 0.196045 LDB: Average compute 0.004362 is 2.2% of average load 0.196045 LDB: TIME 3996.55 LOAD: AVG 0.196045 MAX 0.213273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.891 MB LDB: TIME 3996.55 LOAD: AVG 0.196045 MAX 0.213273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.891 MB LDB: TIME 3996.55 LOAD: AVG 0.196045 MAX 0.213273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.891 MB LDB: ============== END OF LOAD BALANCING =============== 3996.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3996.56 PRESSURE: 1264400 47.586 -148.488 126.74 -148.488 24.3401 216.708 126.74 216.71 55.1932 GPRESSURE: 1264400 -38.4175 -56.628 106.346 -116.135 174.085 178.834 76.1827 185.948 67.8043 PRESSAVG: 1264400 66.5215 -57.2815 1.32707 -57.2815 0.486126 33.6642 1.32709 33.6642 11.7041 GPRESSAVG: 1264400 66.5093 -57.0379 1.2638 -60.3966 0.979016 33.4497 0.68708 32.1845 11.3554 TIMING: 1264400 CPU: 3984.47, 0.00320599/step Wall: 3984.47, 0.00320598/step, 3.32674 hours remaining, 237.429688 MB of memory in use. ENERGY: 1264400 4019.8348 20589.1056 14481.1054 241.5915 -204242.3340 3009.3096 0.0000 0.0000 52005.4248 -109895.9624 298.8759 -161901.3871 -109538.4746 298.3529 42.3731 67.8240 761468.4927 26.2372 26.2813 PRESSURE: 1264600 -18.349 68.0932 -139.069 68.0931 271.002 188.523 -139.069 188.525 -10.9393 GPRESSURE: 1264600 38.6654 9.18831 -126.207 105.013 260.474 190.524 -156.956 268.774 17.5671 PRESSAVG: 1264600 13.3226 -31.2276 -20.6198 -31.2275 -12.4425 31.6651 -20.6199 31.6651 -12.5407 GPRESSAVG: 1264600 12.2826 -30.8623 -19.2844 -29.5205 -12.5616 32.4483 -22.2558 29.5027 -11.4361 TIMING: 1264600 CPU: 3985.1, 0.00313342/step Wall: 3985.1, 0.00313342/step, 3.25127 hours remaining, 237.429688 MB of memory in use. ENERGY: 1264600 4040.0836 20397.8778 14534.1534 256.6802 -203798.5286 2778.8974 0.0000 0.0000 51813.5833 -109977.2529 297.7734 -161790.8362 -109621.0461 297.9071 80.5713 105.5689 762956.8046 -3.8869 -3.9050 PRESSURE: 1264800 -13.5658 -168.822 57.7044 -168.822 -44.4821 213.709 57.7039 213.71 200.92 GPRESSURE: 1264800 106.396 -246.893 33.0378 -174.677 -76.7222 210.981 54.4062 217.802 223.333 PRESSAVG: 1264800 84.1846 -21.0095 28.5439 -21.0095 -61.4907 37.7255 28.5439 37.7255 15.8997 GPRESSAVG: 1264800 84.0445 -23.9209 28.4384 -18.6421 -61.0176 36.9269 29.4145 39.245 15.75 TIMING: 1264800 CPU: 3985.73, 0.003144/step Wall: 3985.73, 0.003144/step, 3.26208 hours remaining, 237.429688 MB of memory in use. ENERGY: 1264800 4062.3288 20323.8178 14490.5497 263.9278 -203470.9184 2578.0288 0.0000 0.0000 51846.7781 -109905.4873 297.9641 -161752.2654 -109557.9030 298.5036 47.6242 84.3357 762510.7915 12.8645 12.9256 PRESSURE: 1265000 -162.947 -36.4555 -12.9929 -36.456 -140.92 100.742 -12.9932 100.742 179.251 GPRESSURE: 1265000 -146.21 -35.5594 8.25783 -8.75494 -80.9588 191.593 135.528 123.813 188.563 PRESSAVG: 1265000 23.0223 -36.8514 -13.7122 -36.8514 -23.4173 40.9245 -13.7122 40.9244 19.7212 GPRESSAVG: 1265000 24.21 -37.2869 -14.2061 -37.466 -23.8579 41.1416 -13.7805 42.2397 18.9631 TIMING: 1265000 CPU: 3986.36, 0.0031388/step Wall: 3986.36, 0.0031388/step, 3.2565 hours remaining, 237.429688 MB of memory in use. ENERGY: 1265000 3977.0385 20392.7259 14497.1344 281.8596 -203465.4698 2470.3742 0.0000 0.0000 51994.1938 -109852.1434 298.8113 -161846.3372 -109486.6156 298.3801 -41.5386 -12.8685 761550.1901 6.4421 6.4384 PRESSURE: 1265200 42.7215 36.0834 -114.3 36.0844 -214.22 146.668 -114.3 146.669 420.409 GPRESSURE: 1265200 199.007 49.4387 -83.2169 90.2224 -208.802 182.881 -86.0241 144.491 333.54 PRESSAVG: 1265200 31.4134 19.7663 -6.72229 19.7664 -40.3494 61.3925 -6.72229 61.3925 -11.9453 GPRESSAVG: 1265200 31.9815 22.0578 -7.08931 19.8597 -40.7091 61.9601 -6.71115 60.8763 -12.036 TIMING: 1265200 CPU: 3986.99, 0.00314335/step Wall: 3986.99, 0.00314335/step, 3.26105 hours remaining, 237.429688 MB of memory in use. ENERGY: 1265200 3991.9773 20448.1348 14426.3303 245.3875 -203369.6886 2585.6030 0.0000 0.0000 51876.4716 -109795.7841 298.1348 -161672.2557 -109443.9482 298.3899 82.9702 107.9150 758851.2708 -6.9604 -6.9212 PRESSURE: 1265400 51.9065 -91.1294 193.424 -91.1288 100.459 -180.837 193.424 -180.836 189.142 GPRESSURE: 1265400 221.794 -128.018 120.353 -61.3474 2.50436 -110.404 59.3283 -107.35 198.612 PRESSAVG: 1265400 10.0551 9.61991 15.3473 9.61996 -27.7537 -31.4392 15.3473 -31.4392 4.41095 GPRESSAVG: 1265400 9.33804 9.55833 13.937 10.1199 -27.4012 -30.9139 16.7603 -32.1372 5.32833 TIMING: 1265400 CPU: 3987.61, 0.00313367/step Wall: 3987.61, 0.00313367/step, 3.25083 hours remaining, 237.429688 MB of memory in use. ENERGY: 1265400 3953.3383 20503.8521 14476.1765 237.7244 -203437.2005 2720.8932 0.0000 0.0000 52039.3551 -109505.8609 299.0709 -161545.2160 -109149.2133 298.7914 113.8358 140.9702 761861.6384 -4.4292 -4.2449 PRESSURE: 1265600 120.78 166.376 37.3704 166.376 -213.359 -122.73 37.3702 -122.731 51.2018 GPRESSURE: 1265600 111.219 62.7826 29.105 148.328 -182.687 -122.996 62.2918 -119.137 96.6057 PRESSAVG: 1265600 33.8182 2.11791 -29.0974 2.11787 -63.5317 -15.0019 -29.0974 -15.002 -16.9902 GPRESSAVG: 1265600 34.9033 0.0836381 -27.6308 2.7276 -63.9061 -15.9867 -30.755 -13.989 -17.7834 TIMING: 1265600 CPU: 3988.24, 0.00313239/step Wall: 3988.24, 0.00313238/step, 3.24933 hours remaining, 237.429688 MB of memory in use. ENERGY: 1265600 3984.2419 20684.3347 14475.0947 234.9523 -203447.3308 2596.9802 0.0000 0.0000 52075.6095 -109396.1175 299.2792 -161471.7270 -109043.3481 298.8917 -13.7925 8.3792 759963.6559 -15.5679 -15.5954 PRESSURE: 1265800 -38.1366 90.1561 -97.9453 90.1559 119.184 -73.1449 -97.9459 -73.1439 -103.682 GPRESSURE: 1265800 24.9671 127.624 -105.765 16.0213 95.8401 -65.9722 -154.173 -12.359 -51.5604 PRESSAVG: 1265800 67.6646 -41.418 -8.46392 -41.4179 -35.8561 32.3035 -8.464 32.3035 -6.12902 GPRESSAVG: 1265800 67.0682 -39.2986 -8.92145 -42.6554 -37.1553 30.7347 -7.26468 31.7827 -4.37826 TIMING: 1265800 CPU: 3988.87, 0.00313989/step Wall: 3988.87, 0.00313989/step, 3.25694 hours remaining, 237.429688 MB of memory in use. ENERGY: 1265800 3982.8488 20626.2865 14449.2253 253.3329 -203334.3732 2553.6746 0.0000 0.0000 52148.8812 -109320.1240 299.7003 -161469.0051 -108968.5545 299.4753 -7.5448 23.0823 762077.1943 8.5598 8.5115 PRESSURE: 1266000 -20.9609 -119.648 -124.88 -119.648 -141.648 25.4402 -124.879 25.4401 515.873 GPRESSURE: 1266000 -20.7137 26.3714 -100.388 -49.2846 -73.4253 9.90841 -303.669 -8.32487 521.335 PRESSAVG: 1266000 -23.6361 -3.26534 21.5251 -3.26529 23.7609 16.0496 21.5251 16.0496 11.978 GPRESSAVG: 1266000 -23.9659 -2.35947 22.449 -4.41698 25.4034 17.339 21.1952 14.5464 10.99 TIMING: 1266000 CPU: 3989.49, 0.00313469/step Wall: 3989.49, 0.00313469/step, 3.25137 hours remaining, 237.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1266000 3930.0930 20470.8542 14452.8548 252.4002 -203317.9700 2652.2937 0.0000 0.0000 52122.5549 -109436.9191 299.5490 -161559.4741 -109078.4688 299.5114 117.7546 142.3986 760848.8269 4.0342 4.1425 PRESSURE: 1266200 61.8642 39.7314 -93.8122 39.732 59.0629 54.4276 -93.8122 54.4276 -187.418 GPRESSURE: 1266200 138.19 37.3625 -67.5742 34.4713 15.1006 41.2846 -74.5313 116.039 -142.588 PRESSAVG: 1266200 -63.5202 -12.9596 -29.8415 -12.9597 8.59094 37.6547 -29.8415 37.6547 -32.5504 GPRESSAVG: 1266200 -63.0213 -13.5795 -28.8493 -12.8535 9.18877 39.3488 -31.6707 36.6916 -33.3045 TIMING: 1266200 CPU: 3990.12, 0.00314449/step Wall: 3990.12, 0.00314449/step, 3.26136 hours remaining, 237.429688 MB of memory in use. ENERGY: 1266200 3971.9063 20551.3247 14448.8228 234.2905 -203170.4103 2595.6521 0.0000 0.0000 52057.3465 -109311.0675 299.1743 -161368.4140 -108934.5531 299.4039 -22.1638 3.5674 762197.6807 -29.1599 -29.0456 PRESSURE: 1266400 -26.8992 -219.933 122.193 -219.932 98.1521 122.118 122.193 122.119 -21.195 GPRESSURE: 1266400 58.1232 -170.65 130.005 -161.193 -23.5285 102.806 65.756 143.141 86.7977 PRESSAVG: 1266400 16.9364 -0.917234 -37.7729 -0.917297 -41.5378 11.7426 -37.773 11.7427 14.5145 GPRESSAVG: 1266400 17.2188 -2.13905 -38.0486 1.52792 -43.4247 9.87068 -39.5321 14.9483 15.6809 TIMING: 1266400 CPU: 3990.75, 0.00312988/step Wall: 3990.75, 0.00312988/step, 3.24604 hours remaining, 237.429688 MB of memory in use. ENERGY: 1266400 3913.9982 20549.0777 14442.5303 239.0563 -203630.4769 2806.7579 0.0000 0.0000 52348.8385 -109330.2181 300.8495 -161679.0566 -108966.2235 299.2580 16.6860 40.4642 759776.9839 -3.3623 -3.5083 PRESSURE: 1266600 146.36 -120.666 17.4996 -120.666 -175.777 -34.3703 17.4996 -34.3709 -68.3038 GPRESSURE: 1266600 99.0429 -97.3588 -3.37468 -233.405 8.23117 29.3265 -31.2103 -29.0366 -100.642 PRESSAVG: 1266600 32.9401 -49.4845 -20.2358 -49.4845 9.34758 6.47434 -20.2357 6.4744 31.1485 GPRESSAVG: 1266600 32.8459 -46.9776 -20.9194 -53.9361 9.9302 6.91553 -19.5885 6.22531 30.9832 TIMING: 1266600 CPU: 3991.38, 0.00313729/step Wall: 3991.38, 0.00313729/step, 3.25354 hours remaining, 237.429688 MB of memory in use. ENERGY: 1266600 4111.9934 20615.9181 14388.0323 249.3061 -202892.9728 2219.4700 0.0000 0.0000 52125.9472 -109182.3057 299.5685 -161308.2530 -108826.0013 300.1343 -32.5735 2.2106 760287.2279 24.4787 24.5864 PRESSURE: 1266800 114.131 65.906 40.5624 65.9059 74.1826 288.052 40.5615 288.052 439.893 GPRESSURE: 1266800 60.4492 74.4354 -7.41217 21.9647 127.103 334.069 75.7917 164.13 515.528 PRESSAVG: 1266800 -12.7719 -63.9533 -16.9983 -63.9533 8.47488 -42.2189 -16.9983 -42.219 -24.4125 GPRESSAVG: 1266800 -13.8056 -64.6111 -17.0857 -60.2702 9.38035 -41.8475 -16.1699 -42.0876 -24.4514 TIMING: 1266800 CPU: 3992, 0.0031276/step Wall: 3992, 0.0031276/step, 3.24332 hours remaining, 237.429688 MB of memory in use. ENERGY: 1266800 4010.5375 20544.7647 14472.2401 259.2973 -203498.7622 2805.0953 0.0000 0.0000 52107.4382 -109299.3891 299.4622 -161406.8273 -108928.0494 299.7608 209.4025 234.3601 760778.3010 -9.5698 -9.6255 PRESSURE: 1267000 224.913 78.1151 -310.283 78.1141 40.3159 -131.882 -310.283 -131.881 184.141 GPRESSURE: 1267000 304.728 47.1166 -310.059 34.1102 24.0244 -120.566 -439.568 -183.614 204.634 PRESSAVG: 1267000 -54.9952 6.67675 -42.047 6.67674 52.126 -25.4634 -42.0471 -25.4633 -21.0054 GPRESSAVG: 1267000 -54.4219 6.50366 -42.9754 6.99389 52.3655 -25.0811 -41.7628 -28.037 -21.5739 TIMING: 1267000 CPU: 3992.63, 0.00314608/step Wall: 3992.63, 0.00314608/step, 3.26231 hours remaining, 237.429688 MB of memory in use. ENERGY: 1267000 4025.6014 20559.2606 14426.2636 243.0381 -203261.1334 2775.6414 0.0000 0.0000 51959.5438 -109271.7845 298.6122 -161231.3282 -108910.4788 299.7467 149.7900 177.7956 759852.4019 -7.9582 -7.8767 PRESSURE: 1267200 -316.63 -344.947 345.408 -344.947 -43.1754 150.877 345.408 150.877 52.8883 GPRESSURE: 1267200 -281.367 -258.623 329.084 -374.062 -140.39 46.1201 436.591 88.416 175.123 PRESSAVG: 1267200 -16.6789 -3.51658 37.7188 -3.51655 -4.19272 -1.60474 37.7188 -1.60484 18.8682 GPRESSAVG: 1267200 -15.9461 -2.90473 38.9333 -6.25419 -6.53703 -0.523753 40.1791 -0.933697 20.8567 TIMING: 1267200 CPU: 3993.26, 0.00314348/step Wall: 3993.26, 0.00314348/step, 3.25944 hours remaining, 237.429688 MB of memory in use. ENERGY: 1267200 4095.4716 20613.1928 14435.1048 273.7900 -203110.2488 2352.4433 0.0000 0.0000 52218.8173 -109121.4292 300.1023 -161340.2464 -108769.8197 300.0562 -102.3057 -82.2112 761172.4782 -0.6678 -0.5422 PRESSURE: 1267400 -351.735 53.4558 152.441 53.4553 -190.263 -79.7557 152.442 -79.7563 275.521 GPRESSURE: 1267400 -265.565 -46.7178 159.173 111.304 -126.107 -108.913 33.2464 -139.771 221.065 PRESSAVG: 1267400 -12.5069 -47.4818 -28.8003 -47.4819 -3.60703 0.143189 -28.8003 0.143123 16.3273 GPRESSAVG: 1267400 -12.1247 -48.9116 -29.3089 -44.9733 -1.83516 -0.424813 -28.8097 0.581685 14.6091 TIMING: 1267400 CPU: 3993.89, 0.00315138/step Wall: 3993.89, 0.00315138/step, 3.26745 hours remaining, 237.429688 MB of memory in use. ENERGY: 1267400 4063.9990 20664.0656 14501.4713 251.2935 -202984.6313 2464.5955 0.0000 0.0000 51982.8428 -109056.3636 298.7461 -161039.2064 -108693.6506 299.9753 -88.8258 -56.8690 761400.2310 0.0711 0.2164 PRESSURE: 1267600 62.1942 -31.4334 -353.542 -31.4329 -368.057 156.225 -353.543 156.226 625.329 GPRESSURE: 1267600 134.666 24.1097 -274.727 -78.4002 -325.332 163.074 -302.979 -20.505 593.216 PRESSAVG: 1267600 -5.54077 -11.1866 31.9369 -11.1866 30.5072 -4.01195 31.9369 -4.01202 -6.69534 GPRESSAVG: 1267600 -5.89756 -12.9115 32.1084 -12.5163 29.8065 -4.00108 30.0224 -5.54224 -5.54563 TIMING: 1267600 CPU: 3994.52, 0.00313549/step Wall: 3994.52, 0.00313549/step, 3.25081 hours remaining, 237.429688 MB of memory in use. ENERGY: 1267600 4063.2461 20653.1877 14504.2244 245.0457 -203261.7930 2592.0656 0.0000 0.0000 51992.2388 -109211.7846 298.8001 -161204.0234 -108845.3362 299.8971 106.4887 134.1832 760368.6257 6.0904 6.1211 PRESSURE: 1267800 238.256 93.9959 -172.9 93.9962 13.9588 179.17 -172.899 179.169 419.832 GPRESSURE: 1267800 245.286 36.5167 -179.82 182.84 81.9169 128.885 -144.72 152.536 415.872 PRESSAVG: 1267800 -7.34839 -2.02384 -26.7889 -2.02389 -33.3689 19.7724 -26.7889 19.7725 7.91923 GPRESSAVG: 1267800 -8.10516 -0.329131 -26.9085 -2.08586 -32.8172 19.9457 -26.1738 20.7942 7.9032 TIMING: 1267800 CPU: 3995.15, 0.00315033/step Wall: 3995.15, 0.00315033/step, 3.26602 hours remaining, 237.429688 MB of memory in use. ENERGY: 1267800 4022.4810 20449.4676 14396.4598 242.9575 -203862.4243 2984.4999 0.0000 0.0000 52344.2155 -109422.3429 300.8229 -161766.5584 -109052.7538 299.5789 224.0157 247.6919 760846.1758 -10.9327 -11.0064 PRESSURE: 1268000 -178.678 -43.4894 27.1746 -43.4882 0.908308 97.6868 27.1739 97.6863 141.954 GPRESSURE: 1268000 -157.672 -180.787 29.5847 -158.063 21.0344 17.7691 63.3831 38.6344 186.41 PRESSAVG: 1268000 -17.9881 -12.754 -57.5458 -12.754 -28.0469 13.1501 -57.5458 13.1501 11.8889 GPRESSAVG: 1268000 -17.2835 -13.0494 -58.553 -11.5553 -28.1787 12.2122 -55.8015 11.5619 11.1097 TIMING: 1268000 CPU: 3995.78, 0.00314414/step Wall: 3995.78, 0.00314414/step, 3.25942 hours remaining, 237.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1268000 4007.7976 20570.4949 14427.0046 231.4603 -203577.3505 2667.4102 0.0000 0.0000 52079.5449 -109593.6380 299.3019 -161673.1829 -109223.3644 299.5787 -11.9385 16.5907 762334.1490 -11.3820 -11.4508 PRESSURE: 1268200 -143.666 -66.8874 146.665 -66.8868 -33.8189 -82.6831 146.665 -82.6827 1.83214 GPRESSURE: 1268200 -67.5486 -60.5417 182.133 -127.44 -62.6858 19.442 47.7646 -115.063 57.6863 PRESSAVG: 1268200 -22.0411 -19.4726 -42.9853 -19.4727 35.5196 22.1831 -42.9853 22.1832 -2.12612 GPRESSAVG: 1268200 -22.2754 -17.773 -42.7944 -19.7351 34.9866 23.0221 -44.5459 24.3601 -1.20535 TIMING: 1268200 CPU: 3996.41, 0.00317399/step Wall: 3996.41, 0.00317399/step, 3.29019 hours remaining, 237.429688 MB of memory in use. ENERGY: 1268200 4032.0793 20624.9251 14473.1449 249.7414 -203684.6339 2696.1074 0.0000 0.0000 52007.0376 -109601.5982 298.8852 -161608.6358 -109243.4871 299.2888 -58.5508 -24.1827 760179.6925 3.7841 3.8353 LDB: ============= START OF LOAD BALANCING ============== 4008.81 LDB: ============== END OF LOAD BALANCING =============== 4008.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4008.81 LDB: ============= START OF LOAD BALANCING ============== 4009.13 LDB: Largest compute 7077 load 0.033099 is 16.9% of average load 0.196019 LDB: Average compute 0.004356 is 2.2% of average load 0.196019 LDB: TIME 4009.14 LOAD: AVG 0.196019 MAX 0.213712 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.488 MB LDB: TIME 4009.14 LOAD: AVG 0.196019 MAX 0.213712 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 4009.14 LOAD: AVG 0.196019 MAX 0.213712 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 4009.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4009.14 PRESSURE: 1268400 73.337 -148.856 -54.6406 -148.857 176.158 -117.186 -54.6403 -117.187 90.0714 GPRESSURE: 1268400 158.726 -95.7575 -94.5042 -218.17 150.22 -71.5491 -65.9783 -201.505 96.1487 PRESSAVG: 1268400 35.6459 -70.7259 19.6807 -70.726 -17.6762 -35.6091 19.6807 -35.6091 -16.9877 GPRESSAVG: 1268400 35.1489 -71.0404 19.518 -72.0303 -16.6293 -37.0705 21.6086 -37.3994 -17.5105 TIMING: 1268400 CPU: 3997.06, 0.00324374/step Wall: 3997.06, 0.00324374/step, 3.36232 hours remaining, 238.394531 MB of memory in use. ENERGY: 1268400 4002.4012 20693.5745 14451.7629 243.7613 -203865.6832 2746.0407 0.0000 0.0000 51823.5707 -109904.5719 297.8308 -161728.1426 -109546.4901 298.6960 113.1887 135.0315 760095.1858 0.3273 0.3364 PRESSURE: 1268600 -124.385 -19.8536 17.7312 -19.854 140.287 61.71 17.7312 61.7107 119.211 GPRESSURE: 1268600 -89.6473 -23.266 -9.40641 -70.5911 161.481 62.8052 -63.0308 43.4527 150.972 PRESSAVG: 1268600 -5.91697 -43.5387 10.4078 -43.5387 5.47587 -5.35835 10.4078 -5.35836 -6.72452 GPRESSAVG: 1268600 -4.94215 -43.8184 11.5213 -42.3047 4.47675 -4.01928 8.29552 -2.67487 -6.52839 TIMING: 1268600 CPU: 3997.7, 0.00319571/step Wall: 3997.7, 0.00319571/step, 3.31235 hours remaining, 238.597656 MB of memory in use. ENERGY: 1268600 4023.1861 20511.0789 14424.4254 254.2440 -203512.8804 2692.8192 0.0000 0.0000 51842.7761 -109764.3507 297.9411 -161607.1268 -109405.5943 298.2881 45.0375 74.2686 762327.3652 -2.3885 -2.3313 PRESSURE: 1268800 69.4098 35.4658 -42.8667 35.4646 125.11 -288.005 -42.8665 -288.004 -159.703 GPRESSURE: 1268800 150.096 103.629 -114.599 -35.7606 122.665 -289.917 -96.1407 -251.018 -146.183 PRESSAVG: 1268800 -0.507215 -19.1056 -29.5984 -19.1055 14.8004 4.7812 -29.5984 4.78121 8.69126 GPRESSAVG: 1268800 -1.0438 -17.5767 -29.9734 -21.0146 15.5647 5.70687 -30.1253 3.63199 8.23089 TIMING: 1268800 CPU: 3998.33, 0.0031654/step Wall: 3998.33, 0.0031654/step, 3.28076 hours remaining, 238.597656 MB of memory in use. ENERGY: 1268800 3974.6242 20609.1391 14444.2678 242.3475 -203816.9804 2668.6976 0.0000 0.0000 51972.3028 -109905.6014 298.6855 -161877.9043 -109557.6878 298.9930 11.6055 42.1925 758190.3761 7.6615 7.5839 PRESSURE: 1269000 -33.883 -294.881 162.589 -294.881 -209.193 -121.757 162.589 -121.757 -203.37 GPRESSURE: 1269000 50.4436 -123.612 181.52 -222.629 -158.53 -176.586 10.7867 -59.386 -243.524 PRESSAVG: 1269000 7.35035 -34.1861 -7.11725 -34.1861 -12.0638 -40.7268 -7.11726 -40.7268 11.4092 GPRESSAVG: 1269000 7.18776 -35.1595 -6.15662 -32.8472 -11.7784 -41.4338 -8.42168 -42.6242 11.5978 TIMING: 1269000 CPU: 3998.96, 0.0031439/step Wall: 3998.96, 0.0031439/step, 3.25831 hours remaining, 238.597656 MB of memory in use. ENERGY: 1269000 4022.5142 20670.2482 14450.8409 226.3696 -203553.4961 2413.1945 0.0000 0.0000 52068.0918 -109702.2369 299.2360 -161770.3287 -109337.3314 299.3948 -148.8154 -117.2034 759876.0752 2.2319 2.3357 PRESSURE: 1269200 75.683 -81.3237 3.2161 -81.3238 55.892 -67.6006 3.21698 -67.6003 -25.697 GPRESSURE: 1269200 72.0313 46.9957 -77.2185 89.5327 -28.2993 -108.715 -52.7703 77.5972 141.835 PRESSAVG: 1269200 -4.09452 -63.3864 -33.2393 -63.3864 -35.6599 -18.9232 -33.2394 -18.9232 -9.46645 GPRESSAVG: 1269200 -4.78652 -63.1427 -35.4676 -64.2672 -34.7144 -20.7544 -29.8205 -16.8903 -9.32763 TIMING: 1269200 CPU: 3999.59, 0.00315542/step Wall: 3999.59, 0.00315542/step, 3.27006 hours remaining, 238.597656 MB of memory in use. ENERGY: 1269200 3925.0278 20651.0338 14473.3213 246.2036 -203706.8033 2705.4659 0.0000 0.0000 52056.7758 -109648.9751 299.1710 -161705.7510 -109290.8784 298.8920 35.2927 61.8558 760619.1844 -16.4070 -16.2762 PRESSURE: 1269400 -33.4176 19.9028 175.723 19.9021 -27.0386 65.452 175.723 65.4529 -245.209 GPRESSURE: 1269400 53.4513 -69.3095 218.144 152.581 -66.9542 -8.40999 62.5512 -70.3969 -230.964 PRESSAVG: 1269400 35.8537 23.8725 -8.6924 23.8725 12.9891 14.0837 -8.69241 14.0837 13.5449 GPRESSAVG: 1269400 37.9698 23.1239 -9.20529 25.4304 11.199 15.5564 -9.38813 12.8721 13.3763 TIMING: 1269400 CPU: 4000.22, 0.00315637/step Wall: 4000.22, 0.00315637/step, 3.27088 hours remaining, 238.597656 MB of memory in use. ENERGY: 1269400 3998.4447 20730.2980 14440.6471 231.8094 -203456.7390 2394.5877 0.0000 0.0000 52013.0983 -109647.8537 298.9200 -161660.9521 -109280.6782 299.5197 -101.8885 -81.4889 761884.8704 20.7959 20.8483 PRESSURE: 1269600 202.869 -9.39132 79.2737 -9.392 -415.946 -64.8947 79.2726 -64.8945 31.0419 GPRESSURE: 1269600 146.891 -1.60266 43.3066 -37.0145 -276.468 -187.408 210.224 -1.9228 40.7442 PRESSAVG: 1269600 7.33608 -38.4322 -50.1414 -38.4322 -28.0656 -26.7289 -50.1414 -26.7288 -17.98 GPRESSAVG: 1269600 5.60262 -37.2682 -48.6491 -41.3357 -27.6764 -27.5673 -50.4577 -27.1562 -16.6517 TIMING: 1269600 CPU: 4000.86, 0.00316265/step Wall: 4000.86, 0.00316265/step, 3.27721 hours remaining, 238.597656 MB of memory in use. ENERGY: 1269600 4006.1739 20610.6758 14393.2871 267.9773 -203593.6665 2530.8295 0.0000 0.0000 52146.7742 -109637.9488 299.6882 -161784.7230 -109268.8411 299.1230 -60.6782 -29.6109 761056.6265 -12.9032 -12.9085 PRESSURE: 1269800 -43.8161 -47.132 129.467 -47.1321 204.003 -277.141 129.467 -277.141 -284.8 GPRESSURE: 1269800 -35.5457 -103.323 71.2159 -123.394 285.825 -262.96 121.318 -164.917 -288.874 PRESSAVG: 1269800 31.8144 -49.2855 21.3663 -49.2855 3.38351 -27.25 21.3663 -27.2501 -14.9082 GPRESSAVG: 1269800 33.1319 -50.0682 21.0219 -48.7558 4.01348 -26.834 22.5938 -24.9531 -17.1988 TIMING: 1269800 CPU: 4001.49, 0.00316043/step Wall: 4001.49, 0.00316043/step, 3.27473 hours remaining, 238.597656 MB of memory in use. ENERGY: 1269800 4015.9312 20690.5832 14497.4394 245.9227 -203950.2098 2879.0958 0.0000 0.0000 52107.0981 -109514.1395 299.4602 -161621.2375 -109152.0159 299.2887 -41.5375 -12.8650 760475.9228 6.7633 6.6489 PRESSURE: 1270000 40.0264 -30.2107 -26.3815 -30.2112 39.3988 39.9006 -26.38 39.9006 -443.504 GPRESSURE: 1270000 92.9844 34.7478 62.9294 40.7581 3.62022 41.2347 -124.585 -58.9157 -388.384 PRESSAVG: 1270000 -5.04635 -11.0486 -12.4527 -11.0486 3.81188 1.1158 -12.4528 1.11578 -16.388 GPRESSAVG: 1270000 -6.61229 -11.0432 -12.6937 -9.47738 4.53246 0.49775 -12.7987 -0.258215 -15.9319 TIMING: 1270000 CPU: 4002.12, 0.00316052/step Wall: 4002.12, 0.00316052/step, 3.27465 hours remaining, 238.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1270000 4055.1576 20653.5201 14411.9068 252.4078 -203588.6174 2627.0676 0.0000 0.0000 52196.2653 -109392.2922 299.9727 -161588.5575 -109026.0212 299.3133 -121.3595 -97.2598 762287.2437 -5.8742 -6.0039 PRESSURE: 1270200 -118.844 -127.841 60.8326 -127.841 9.67006 39.6234 60.8332 39.6236 74.0298 GPRESSURE: 1270200 -118.298 -83.6627 -67.9192 -152.896 37.6885 2.77688 116.032 68.0898 115.805 PRESSAVG: 1270200 -16.5778 -30.5406 9.33605 -30.5406 -26.7066 6.58923 9.33602 6.58924 21.3547 GPRESSAVG: 1270200 -15.0815 -29.8496 8.0884 -32.2605 -28.5535 7.2691 8.86518 6.65348 21.2437 TIMING: 1270200 CPU: 4002.75, 0.00316283/step Wall: 4002.75, 0.00316283/step, 3.27686 hours remaining, 238.597656 MB of memory in use. ENERGY: 1270200 4012.5803 20796.8856 14541.7911 248.7144 -203636.6706 2583.2644 0.0000 0.0000 52022.1478 -109431.2870 298.9720 -161453.4349 -109073.1060 299.7466 -11.7148 11.7317 761715.0028 -7.3099 -7.4638 PRESSURE: 1270400 111.276 -58.3034 90.5667 -58.3037 -241.665 -170.52 90.567 -170.519 82.0981 GPRESSURE: 1270400 133.633 -32.4551 -18.4939 -67.2753 -150.324 -230.322 56.7775 -287.252 38.7775 PRESSAVG: 1270400 29.954 -54.5819 7.52525 -54.5818 23.4856 -10.539 7.52524 -10.5391 -0.779716 GPRESSAVG: 1270400 29.242 -52.9475 8.14088 -54.6287 24.5743 -9.9471 9.77081 -12.3186 -1.14681 TIMING: 1270400 CPU: 4003.38, 0.00315492/step Wall: 4003.38, 0.00315492/step, 3.2685 hours remaining, 238.597656 MB of memory in use. ENERGY: 1270400 3935.6845 20528.9319 14554.0338 219.6946 -203552.9120 2706.3879 0.0000 0.0000 52095.1963 -109512.9831 299.3918 -161608.1794 -109137.7910 299.8843 -16.0970 7.3622 760238.6896 17.5533 17.5565 PRESSURE: 1270600 -13.7978 4.33392 -29.0961 4.33407 116.593 167.887 -29.0953 167.888 -98.9281 GPRESSURE: 1270600 43.6668 -118.191 4.72306 -81.815 150.921 137.43 -135.742 222.691 -102.605 PRESSAVG: 1270600 1.81978 -70.9783 2.30031 -70.9783 11.3446 0.88335 2.30034 0.883364 -4.77842 GPRESSAVG: 1270600 2.78913 -72.5129 3.42061 -71.4654 9.89042 0.774568 -0.214148 4.04831 -4.58134 TIMING: 1270600 CPU: 4004.01, 0.0031403/step Wall: 4004.01, 0.00314031/step, 3.25318 hours remaining, 238.597656 MB of memory in use. ENERGY: 1270600 4074.4781 20453.2565 14511.3642 238.5840 -204083.4624 2986.8932 0.0000 0.0000 52030.5410 -109788.3453 299.0202 -161818.8863 -109423.4605 299.4184 1.2889 30.6609 759410.1481 2.7953 2.6994 PRESSURE: 1270800 -28.5227 42.3635 51.5456 42.3627 -100.693 -58.3319 51.5461 -58.333 553.925 GPRESSURE: 1270800 -61.6866 -17.7262 -35.0113 -6.74314 60.682 -5.6202 0.730851 -54.2166 514.835 PRESSAVG: 1270800 -4.73391 -79.118 -51.3403 -79.1179 3.71452 4.00129 -51.3402 4.00133 16.2916 GPRESSAVG: 1270800 -6.20065 -79.3997 -51.1668 -78.8414 4.95365 4.54325 -51.9973 2.26141 16.5427 TIMING: 1270800 CPU: 4004.64, 0.00316355/step Wall: 4004.64, 0.00316355/step, 3.27708 hours remaining, 238.597656 MB of memory in use. ENERGY: 1270800 3990.0944 20520.9108 14535.6320 246.6164 -203887.4886 2844.0582 0.0000 0.0000 52005.4403 -109744.7365 298.8760 -161750.1768 -109380.5104 299.1827 141.5699 171.2768 760333.5759 5.0907 5.0986 PRESSURE: 1271000 31.1435 -335.155 93.4225 -335.156 231.108 79.3695 93.4224 79.3692 135.326 GPRESSURE: 1271000 134.532 -240.587 34.0901 -141.796 161.534 97.5234 80.6275 -9.25716 169.382 PRESSAVG: 1271000 56.546 -32.0194 -41.7616 -32.0194 -33.2683 9.07951 -41.7616 9.07945 0.641375 GPRESSAVG: 1271000 56.4431 -31.3586 -42.666 -31.1621 -33.627 7.85863 -38.6434 9.73843 1.4558 TIMING: 1271000 CPU: 4005.28, 0.00315877/step Wall: 4005.28, 0.00315877/step, 3.27195 hours remaining, 238.597656 MB of memory in use. ENERGY: 1271000 3967.4200 20667.9509 14469.8882 257.0731 -203674.1378 2597.6932 0.0000 0.0000 51873.3071 -109840.8053 298.1166 -161714.1124 -109480.4400 298.9281 132.5257 155.1495 758784.3578 7.9730 8.0906 PRESSURE: 1271200 239.828 -72.0698 -155.052 -72.0702 -219.758 71.5432 -155.052 71.5424 194.191 GPRESSURE: 1271200 212.258 -295.991 -147.745 -95.3414 -132.831 78.2277 -228.565 19.0699 198.8 PRESSAVG: 1271200 -21.1137 -33.4952 -23.7045 -33.4953 -13.4139 26.477 -23.7045 26.477 -17.0923 GPRESSAVG: 1271200 -21.0144 -33.9955 -24.8032 -32.7782 -11.389 26.1225 -24.1077 26.7584 -19.5501 TIMING: 1271200 CPU: 4005.91, 0.00316107/step Wall: 4005.91, 0.00316107/step, 3.27417 hours remaining, 238.597656 MB of memory in use. ENERGY: 1271200 4002.0855 20555.1551 14387.3145 245.9261 -203926.6752 2822.1986 0.0000 0.0000 51886.0670 -110027.9282 298.1899 -161913.9952 -109666.9295 298.7272 71.4205 92.7424 759502.2351 -17.2066 -17.3178 PRESSURE: 1271400 -274.329 -87.7559 250.38 -87.7567 25.4347 -170.307 250.379 -170.308 -429.566 GPRESSURE: 1271400 -211.779 -78.4903 217.972 -96.1897 28.2621 -32.032 354.288 -115.094 -399.924 PRESSAVG: 1271400 12.4414 -60.378 -1.05852 -60.378 -11.9125 -40.3178 -1.05861 -40.3177 21.7599 GPRESSAVG: 1271400 12.527 -60.7572 0.075004 -61.8 -12.9862 -39.151 -2.02591 -42.8405 23.5426 TIMING: 1271400 CPU: 4006.54, 0.00315821/step Wall: 4006.54, 0.00315821/step, 3.27103 hours remaining, 238.597656 MB of memory in use. ENERGY: 1271400 4081.0366 20300.1668 14460.8448 245.7496 -203853.4267 2751.4628 0.0000 0.0000 51794.4925 -110219.6737 297.6637 -162014.1662 -109853.2038 298.3190 -226.1533 -194.4802 759613.0396 7.4296 7.6945 PRESSURE: 1271600 -272.745 -27.1459 30.6455 -27.1456 44.0728 114.114 30.6452 114.116 -57.0629 GPRESSURE: 1271600 -255.193 -92.6341 25.2614 -114.113 84.3733 82.9643 -50.7697 143.065 -41.237 PRESSAVG: 1271600 12.487 -15.9841 -32.0576 -15.984 36.1573 17.5896 -32.0576 17.5896 2.10181 GPRESSAVG: 1271600 13.1502 -17.5345 -32.2786 -14.5378 35.9702 17.5708 -31.4577 19.2042 1.91785 TIMING: 1271600 CPU: 4007.17, 0.00315736/step Wall: 4007.17, 0.00315736/step, 3.26997 hours remaining, 238.597656 MB of memory in use. ENERGY: 1271600 4123.0595 20620.5644 14427.2342 257.8291 -203877.0030 2684.3896 0.0000 0.0000 51661.8861 -110102.0402 296.9016 -161763.9264 -109737.6237 298.0019 -95.2451 -70.6856 758790.2091 16.9154 17.0128 PRESSURE: 1271800 11.8482 143.895 135.275 143.895 457.038 -256.072 135.276 -256.071 3.38835 GPRESSURE: 1271800 63.9966 44.5652 164.295 111.26 434.637 -235.561 76.9973 -285.551 47.5875 PRESSAVG: 1271800 33.8419 -57.5801 -23.2798 -57.5801 -50.3426 -41.9982 -23.2798 -41.9982 -3.49981 GPRESSAVG: 1271800 34.269 -56.1119 -22.7508 -58.553 -51.3546 -44.042 -24.2809 -41.0827 -3.07933 TIMING: 1271800 CPU: 4007.8, 0.00314705/step Wall: 4007.8, 0.00314705/step, 3.25912 hours remaining, 238.597656 MB of memory in use. ENERGY: 1271800 3953.0797 20620.9417 14508.6544 235.2235 -203960.9448 2918.5526 0.0000 0.0000 51739.6061 -109984.8867 297.3482 -161724.4928 -109612.8322 298.2351 157.4248 182.0738 758910.1352 -6.6668 -6.7216 PRESSURE: 1272000 -293.938 22.1955 -26.2332 22.196 -87.7347 158.493 -26.2333 158.493 -126.008 GPRESSURE: 1272000 -305.169 16.4836 -20.3819 15.1399 -17.8409 170.742 -48.0438 -29.6662 -111.988 PRESSAVG: 1272000 71.8082 -48.7783 0.463172 -48.7783 -17.6051 -35.3064 0.46317 -35.3064 12.2241 GPRESSAVG: 1272000 70.3046 -48.2377 0.882344 -47.9201 -15.6715 -34.2241 -0.536717 -36.1955 12.0374 TIMING: 1272000 CPU: 4008.43, 0.00314146/step Wall: 4008.43, 0.00314146/step, 3.25316 hours remaining, 238.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1272000 3957.8100 20497.8926 14490.4232 248.8135 -203189.6456 2319.3939 0.0000 0.0000 52004.0447 -109671.2675 298.8680 -161675.3122 -109305.3121 298.9275 -169.2268 -144.9994 759184.3751 22.1424 22.2235 PRESSURE: 1272200 -494.044 83.9993 -37.4924 83.9988 -187.18 -119.51 -37.4921 -119.511 -737.25 GPRESSURE: 1272200 -419.083 63.3218 -105.855 85.5666 -176.256 -84.1085 81.9818 -224.082 -720.438 PRESSAVG: 1272200 8.19483 -13.9812 -46.3105 -13.9812 -11.2302 34.8447 -46.3105 34.8447 -12.2638 GPRESSAVG: 1272200 9.22958 -15.3934 -47.1191 -11.7595 -11.8228 35.4318 -44.3468 34.9019 -12.7344 TIMING: 1272200 CPU: 4009.06, 0.00314278/step Wall: 4009.06, 0.00314278/step, 3.25435 hours remaining, 238.597656 MB of memory in use. ENERGY: 1272200 4028.3315 20535.2825 14424.4914 244.0174 -203265.7454 2253.5232 0.0000 0.0000 52175.2217 -109604.8776 299.8517 -161780.0994 -109237.0534 299.1887 -472.8245 -438.5924 760654.9007 -5.0997 -5.1092 LDB: ============= START OF LOAD BALANCING ============== 4021.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4021.45 LDB: =============== DONE WITH MIGRATION ================ 4021.46 LDB: ============= START OF LOAD BALANCING ============== 4021.77 LDB: Largest compute 7056 load 0.031834 is 16.2% of average load 0.196025 LDB: Average compute 0.004368 is 2.2% of average load 0.196025 LDB: TIME 4021.77 LOAD: AVG 0.196025 MAX 0.215899 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.496 MB LDB: TIME 4021.77 LOAD: AVG 0.196025 MAX 0.215899 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.5 MB LDB: TIME 4021.77 LOAD: AVG 0.196025 MAX 0.215899 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.5 MB LDB: ============== END OF LOAD BALANCING =============== 4021.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4021.78 PRESSURE: 1272400 278.637 151.125 275.16 151.125 123.424 -129.665 275.16 -129.666 -140.676 GPRESSURE: 1272400 317.317 120.311 258.901 83.8692 171.893 -108.789 302.242 -163.284 -130.197 PRESSAVG: 1272400 -71.8011 -45.1442 25.827 -45.1442 7.8606 -16.631 25.827 -16.631 -11.0187 GPRESSAVG: 1272400 -71.4122 -44.846 27.1628 -45.9595 7.45738 -18.068 25.751 -17.402 -11.0811 TIMING: 1272400 CPU: 4009.7, 0.00320086/step Wall: 4009.7, 0.00320086/step, 3.31431 hours remaining, 238.910156 MB of memory in use. ENERGY: 1272400 3983.1720 20491.6494 14494.5202 262.4754 -203910.4229 2634.6263 0.0000 0.0000 52307.0472 -109736.9324 300.6093 -162043.9795 -109375.0213 299.1816 87.1283 119.6709 758466.3816 -24.9864 -25.0120 PRESSURE: 1272600 362.479 86.7435 -63.0529 86.7438 251.351 -128.925 -63.0519 -128.926 -14.2846 GPRESSURE: 1272600 383.762 6.21112 -61.3573 22.1334 204.959 -136.74 -22.8312 -102.907 84.9983 PRESSAVG: 1272600 62.4502 -30.1851 -29.5049 -30.1851 -14.493 3.46758 -29.5049 3.46758 -7.53215 GPRESSAVG: 1272600 61.8771 -30.7417 -29.9276 -30.9438 -13.7005 6.29903 -32.2589 3.59685 -7.48436 TIMING: 1272600 CPU: 4010.33, 0.00315578/step Wall: 4010.33, 0.00315578/step, 3.26746 hours remaining, 239.113281 MB of memory in use. ENERGY: 1272600 4035.8480 20517.2081 14491.5543 262.4297 -203789.7300 2851.6652 0.0000 0.0000 52098.1978 -109532.8268 299.4091 -161631.0246 -109171.8465 299.4333 199.8483 224.5731 758039.3310 13.4750 13.5641 PRESSURE: 1272800 242.56 -47.8196 -72.5425 -47.8202 0.863963 76.2503 -72.5425 76.2509 149.574 GPRESSURE: 1272800 229.798 -7.58063 -141.128 -7.53565 20.8916 147.999 -99.6474 -77.1364 198.885 PRESSAVG: 1272800 44.4301 -45.1688 -54.5874 -45.1688 -10.1612 -1.26745 -54.5874 -1.26747 -1.79762 GPRESSAVG: 1272800 43.7839 -45.4876 -55.5483 -44.3033 -9.9196 -3.19604 -51.2659 -0.0331205 -1.68027 TIMING: 1272800 CPU: 4010.96, 0.00313745/step Wall: 4010.96, 0.00313745/step, 3.24831 hours remaining, 239.113281 MB of memory in use. ENERGY: 1272800 4009.5324 20408.8920 14486.8603 231.5186 -203496.0884 2513.5425 0.0000 0.0000 52203.9206 -109641.8221 300.0166 -161845.7427 -109274.4564 299.3066 130.9995 149.8582 760549.6289 10.8238 10.7280 PRESSURE: 1273000 -193.664 -182.241 97.363 -182.241 73.8883 -78.6669 97.3628 -78.6661 -160.437 GPRESSURE: 1273000 -92.8221 -174.769 63.9265 -265.735 49.6456 -68.2086 95.399 -56.608 -158.813 PRESSAVG: 1273000 39.6391 -12.5611 -18.7186 -12.5611 -24.4594 -55.2409 -18.7186 -55.2408 8.12083 GPRESSAVG: 1273000 41.1922 -8.94113 -20.3305 -11.7059 -26.0373 -55.3937 -18.4486 -56.565 8.0891 TIMING: 1273000 CPU: 4011.58, 0.00313738/step Wall: 4011.58, 0.00313738/step, 3.24806 hours remaining, 239.113281 MB of memory in use. ENERGY: 1273000 3995.9374 20472.3904 14621.3402 252.4263 -203228.1556 2428.9269 0.0000 0.0000 52143.1489 -109313.9856 299.6674 -161457.1345 -108946.2447 299.3002 -93.4040 -67.3299 761562.4865 7.7669 7.7480 PRESSURE: 1273200 -79.0213 135.564 87.9379 135.563 22.3769 -17.7013 87.9379 -17.7024 19.7252 GPRESSURE: 1273200 -181.614 71.1798 105.302 158.093 253.167 73.9893 158.366 -30.4046 -1.48241 PRESSAVG: 1273200 14.4331 -11.7269 -10.7768 -11.7269 -44.143 26.1748 -10.7767 26.1749 9.75066 GPRESSAVG: 1273200 12.5111 -17.0178 -8.06604 -9.583 -43.1983 26.5655 -13.3552 26.6662 10.4462 TIMING: 1273200 CPU: 4012.21, 0.00315337/step Wall: 4012.21, 0.00315337/step, 3.26443 hours remaining, 239.113281 MB of memory in use. ENERGY: 1273200 3954.1600 20608.7250 14549.1548 242.0481 -203676.0725 2776.8946 0.0000 0.0000 52026.4535 -109518.6365 298.9967 -161545.0899 -109157.4170 299.6705 -12.3064 23.3569 761352.3412 -6.6531 -6.7470 PRESSURE: 1273400 180.254 70.2942 22.2056 70.2938 -146.822 -109.413 22.2051 -109.411 736.187 GPRESSURE: 1273400 240.574 11.6986 -30.2375 29.4451 -26.864 -56.2956 101.379 23.2346 653.546 PRESSAVG: 1273400 -22.3549 -39.8098 40.2328 -39.8098 9.3004 -14.067 40.2327 -14.0671 7.31773 GPRESSAVG: 1273400 -20.6773 -37.2618 38.533 -43.0071 9.01258 -14.8205 43.1522 -14.7336 6.46897 TIMING: 1273400 CPU: 4012.84, 0.00314544/step Wall: 4012.84, 0.00314544/step, 3.25605 hours remaining, 239.113281 MB of memory in use. ENERGY: 1273400 4028.1938 20604.8143 14521.8603 256.6160 -203733.3717 2790.8398 0.0000 0.0000 52093.7077 -109437.3398 299.3833 -161531.0475 -109082.3926 299.7997 256.5396 289.0852 760351.2463 -1.9122 -1.7319 PRESSURE: 1273600 5.29821 19.9604 19.3092 19.9606 -129.606 -175.947 19.3093 -175.948 -121.453 GPRESSURE: 1273600 27.238 18.1044 -60.2399 104.971 -115.788 -198.627 20.1163 -197.633 -75.8611 PRESSAVG: 1273600 72.3684 -45.9479 30.3424 -45.9479 -40.8481 -12.7114 30.3424 -12.7115 22.9571 GPRESSAVG: 1273600 72.5102 -46.01 30.6634 -44.0721 -39.4292 -11.5241 26.3351 -11.4513 22.0549 TIMING: 1273600 CPU: 4013.47, 0.00314911/step Wall: 4013.47, 0.00314911/step, 3.25968 hours remaining, 239.113281 MB of memory in use. ENERGY: 1273600 3942.0068 20670.0547 14584.9249 247.6855 -203396.4787 2281.4001 0.0000 0.0000 52078.1336 -109592.2731 299.2937 -161670.4067 -109233.1253 299.9131 -81.9200 -54.8038 759885.0772 18.1591 18.3786 PRESSURE: 1273800 -448.244 -127.214 210.379 -127.215 -399.542 242.582 210.379 242.582 -178.682 GPRESSURE: 1273800 -332.26 -128.863 141.128 -21.5901 -375.56 207.762 171.115 224.628 -231.522 PRESSAVG: 1273800 42.9827 -35.5514 -47.2482 -35.5514 -51.2175 12.8628 -47.2482 12.8628 4.56275 GPRESSAVG: 1273800 42.8551 -34.6961 -47.7628 -37.1733 -53.3744 12.2998 -46.1201 14.2723 6.5777 TIMING: 1273800 CPU: 4014.1, 0.00315352/step Wall: 4014.1, 0.00315352/step, 3.26407 hours remaining, 239.113281 MB of memory in use. ENERGY: 1273800 3935.7672 20613.4268 14548.8148 267.6391 -203317.5198 2281.1868 0.0000 0.0000 51937.9926 -109732.6926 298.4884 -161670.6852 -109362.1493 299.3267 -342.1560 -313.1141 762809.8104 -1.2240 -1.3139 PRESSURE: 1274000 139.359 60.084 -79.7226 60.0839 193.185 107.845 -79.7232 107.846 199.615 GPRESSURE: 1274000 65.2438 90.0025 -77.9901 -32.8159 252.433 130.819 -35.322 37.9438 308.658 PRESSAVG: 1274000 38.5402 -57.9087 -10.5194 -57.9087 18.3827 -31.0789 -10.5194 -31.0789 -2.51731 GPRESSAVG: 1274000 38.8987 -58.21 -8.31417 -55.5846 18.1188 -31.7164 -10.5513 -34.004 -2.27101 TIMING: 1274000 CPU: 4014.74, 0.00317013/step Wall: 4014.74, 0.00317013/step, 3.28109 hours remaining, 239.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1274000 3997.4305 20900.0456 14596.6508 277.1326 -204075.5548 2631.6428 0.0000 0.0000 51965.1272 -109707.5253 298.6443 -161672.6525 -109356.6656 299.5663 177.3861 208.7783 759186.0980 18.1352 18.2488 PRESSURE: 1274200 304.115 135.687 55.4205 135.687 171.116 9.13865 55.4196 9.13832 121.95 GPRESSURE: 1274200 352.533 94.6307 72.0174 177.335 183.691 -26.0392 58.1816 154.647 125.696 PRESSAVG: 1274200 -51.2861 0.0135366 -10.7021 0.013487 -9.36754 4.12216 -10.7021 4.12219 1.42586 GPRESSAVG: 1274200 -51.5984 -1.26188 -11.9164 0.438242 -8.48691 3.91065 -10.5008 4.74851 0.684294 TIMING: 1274200 CPU: 4015.37, 0.00316157/step Wall: 4015.37, 0.00316157/step, 3.27204 hours remaining, 239.113281 MB of memory in use. ENERGY: 1274200 3970.9576 20456.7645 14506.1938 264.1050 -203614.2016 2752.6421 0.0000 0.0000 51848.3743 -109815.1643 297.9733 -161663.5386 -109436.5843 299.1993 199.0603 220.6400 760132.3808 -19.7426 -19.8003 PRESSURE: 1274400 266.246 -68.6759 32.7686 -68.6754 -12.1082 133.793 32.7678 133.793 -3.76085 GPRESSURE: 1274400 256.581 -50.5482 -32.1767 -75.2344 -43.7797 80.5447 5.13312 128.24 120.823 PRESSAVG: 1274400 7.08726 -24.4611 -37.1215 -24.4611 -1.10497 24.5627 -37.1215 24.5627 -7.72365 GPRESSAVG: 1274400 7.00226 -24.3779 -37.8097 -24.4573 -0.83296 24.8463 -37.2086 23.8661 -7.91569 TIMING: 1274400 CPU: 4016, 0.00316164/step Wall: 4016, 0.00316164/step, 3.27195 hours remaining, 239.113281 MB of memory in use. ENERGY: 1274400 3990.9752 20722.4070 14587.8979 252.0824 -203824.9769 2793.3695 0.0000 0.0000 52000.9734 -109477.2714 298.8503 -161478.2448 -109111.8069 298.8163 83.4588 111.2080 760419.7728 -0.5805 -0.5821 PRESSURE: 1274600 -12.8055 -194.479 -159.597 -194.48 87.5269 48.0211 -159.597 48.0216 253.978 GPRESSURE: 1274600 -29.2082 -100.536 -21.322 -233.309 250.551 126.323 -122.072 154.208 185.984 PRESSAVG: 1274600 21.5415 -58.8187 -33.0697 -58.8187 5.2686 10.7398 -33.0697 10.7399 13.8803 GPRESSAVG: 1274600 20.9586 -58.6791 -33.4381 -59.1203 5.74042 11.008 -31.7561 11.4854 14.0363 TIMING: 1274600 CPU: 4016.63, 0.00314697/step Wall: 4016.63, 0.00314697/step, 3.25659 hours remaining, 239.113281 MB of memory in use. ENERGY: 1274600 4052.0107 20764.8527 14541.4835 259.9638 -203803.5757 2711.7178 0.0000 0.0000 51963.3876 -109510.1596 298.6343 -161473.5473 -109142.1340 299.7545 109.5665 135.7757 759636.9078 13.5634 13.5785 PRESSURE: 1274800 -151.909 -23.9972 94.4311 -23.9975 -294.495 169.773 94.4309 169.772 -207.554 GPRESSURE: 1274800 -52.5229 -36.9942 -15.2603 19.563 -228.844 228.073 188.183 97.1677 -272.108 PRESSAVG: 1274800 -32.6716 -50.3652 14.6127 -50.3652 30.9816 54.8944 14.6128 54.8944 4.03559 GPRESSAVG: 1274800 -31.468 -49.6587 15.1329 -49.8866 30.7037 55.3513 13.1448 52.6653 3.37173 TIMING: 1274800 CPU: 4017.26, 0.00315663/step Wall: 4017.26, 0.00315663/step, 3.26641 hours remaining, 239.113281 MB of memory in use. ENERGY: 1274800 3979.6438 20481.4188 14552.4736 228.4561 -203693.0001 2789.6064 0.0000 0.0000 52005.4157 -109655.9856 298.8758 -161661.4014 -109292.6511 299.1745 -217.9861 -184.4914 762603.5346 0.7818 0.8691 PRESSURE: 1275000 -34.8474 142.182 -41.5834 142.183 -17.0183 -57.262 -41.5845 -57.2623 -21.94 GPRESSURE: 1275000 23.8287 5.111 -4.81556 101.503 58.1416 -115.554 -94.722 -77.2069 -63.1261 PRESSAVG: 1275000 8.75707 -50.7122 8.88331 -50.7122 5.10235 19.1897 8.88332 19.1897 -10.8465 GPRESSAVG: 1275000 8.94397 -52.1455 10.1085 -50.6408 4.27852 18.2797 9.21287 19.4117 -10.3341 TIMING: 1275000 CPU: 4017.89, 0.00314046/step Wall: 4017.89, 0.00314046/step, 3.24951 hours remaining, 239.113281 MB of memory in use. ENERGY: 1275000 4001.1868 20586.1242 14516.5310 262.2103 -203317.6329 2507.5539 0.0000 0.0000 51882.3190 -109561.7077 298.1684 -161444.0268 -109210.2632 299.0553 -24.6019 6.2814 760276.6350 1.0043 0.9628 PRESSURE: 1275200 40.1671 -151.85 238.915 -151.85 -37.2475 58.7001 238.914 58.7017 321.638 GPRESSURE: 1275200 48.428 -130.301 335.55 -52.0564 53.7717 110.381 211.203 51.7212 331.493 PRESSAVG: 1275200 24.6091 -112.778 -5.31658 -112.778 -63.2166 -9.81784 -5.31654 -9.81778 -4.42978 GPRESSAVG: 1275200 23.2911 -111.517 -7.02103 -114.102 -61.7395 -9.13438 -3.24922 -9.03245 -4.89648 TIMING: 1275200 CPU: 4018.52, 0.00314671/step Wall: 4018.52, 0.00314671/step, 3.2558 hours remaining, 239.113281 MB of memory in use. ENERGY: 1275200 3990.6413 20442.6280 14470.4154 249.5366 -203671.0466 2641.2519 0.0000 0.0000 52089.2347 -109787.3387 299.3575 -161876.5734 -109427.6451 299.3103 108.1859 144.5642 760380.0195 -14.3457 -14.4483 PRESSURE: 1275400 -24.6763 66.4487 241.217 66.448 69.5269 -29.6908 241.216 -29.6914 72.3898 GPRESSURE: 1275400 24.2365 31.134 236.299 53.0763 175.604 67.6528 147.93 -16.5943 6.61984 PRESSAVG: 1275400 82.4435 -74.642 31.0363 -74.6421 -63.6781 70.14 31.0364 70.14 -3.54762 GPRESSAVG: 1275400 82.5159 -76.2501 33.0015 -72.6262 -64.7749 70.3836 29.6006 71.0949 -2.93895 TIMING: 1275400 CPU: 4019.15, 0.00314907/step Wall: 4019.15, 0.00314907/step, 3.25806 hours remaining, 239.113281 MB of memory in use. ENERGY: 1275400 3964.5839 20559.7801 14477.9221 228.2755 -203958.0164 2841.5065 0.0000 0.0000 52077.4244 -109808.5239 299.2897 -161885.9483 -109446.1358 298.7744 39.0802 68.8200 760212.3096 5.0726 4.9340 PRESSURE: 1275600 90.5981 112.889 -86.4067 112.888 80.2001 -55.5353 -86.4066 -55.5348 202.888 GPRESSURE: 1275600 24.8124 32.6306 -133.422 161.174 229.64 -112.859 20.6752 -125.862 197.543 PRESSAVG: 1275600 20.1883 15.4391 15.1272 15.4391 -14.0981 16.3609 15.1272 16.3609 -8.13044 GPRESSAVG: 1275600 18.8663 15.8465 12.897 14.4349 -13.5985 15.5872 15.6198 15.5247 -7.75219 TIMING: 1275600 CPU: 4019.78, 0.00315746/step Wall: 4019.78, 0.00315746/step, 3.26656 hours remaining, 239.113281 MB of memory in use. ENERGY: 1275600 4005.2458 20451.2250 14508.4728 263.0587 -203607.0078 2710.2444 0.0000 0.0000 52034.4635 -109634.2976 299.0428 -161668.7612 -109268.9702 298.6670 124.5620 150.6653 759486.2061 -0.6801 -0.8281 PRESSURE: 1275800 -99.3779 -111.317 25.5537 -111.318 50.8124 266.537 25.5538 266.539 -173.803 GPRESSURE: 1275800 -87.2096 -133.144 66.5511 -97.9527 114.414 195.404 26.6115 260.118 -161.193 PRESSAVG: 1275800 -1.40321 -58.385 56.3435 -58.385 19.4093 -9.87193 56.3435 -9.87193 23.5912 GPRESSAVG: 1275800 -0.03407 -55.4691 58.1673 -59.48 19.1903 -10.4052 55.5439 -10.8871 22.2442 TIMING: 1275800 CPU: 4020.41, 0.00314948/step Wall: 4020.41, 0.00314948/step, 3.25814 hours remaining, 239.113281 MB of memory in use. ENERGY: 1275800 4028.9785 20410.6528 14511.8287 243.1872 -202928.7647 2371.4920 0.0000 0.0000 51677.4591 -109685.1665 296.9911 -161362.6255 -109325.8752 298.7273 -74.1228 -44.6631 759582.4483 13.8658 13.8001 PRESSURE: 1276000 -7.73825 123.538 36.2747 123.538 -36.2949 -165.494 36.2752 -165.494 149.797 GPRESSURE: 1276000 39.0808 209.059 -22.32 75.561 3.97855 -146.327 89.5635 -145.372 138.272 PRESSAVG: 1276000 20.0489 -37.9014 9.77236 -37.9014 -24.1341 31.541 9.77237 31.541 -5.61346 GPRESSAVG: 1276000 18.4736 -38.9895 8.41963 -37.0609 -25.1406 32.6596 9.74984 32.3714 -3.11017 TIMING: 1276000 CPU: 4021.04, 0.0031562/step Wall: 4021.04, 0.0031562/step, 3.26492 hours remaining, 239.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1276000 4004.0438 20512.1763 14420.9502 246.1906 -203585.3987 2570.3674 0.0000 0.0000 52316.6908 -109514.9795 300.6647 -161831.6703 -109151.7860 298.8003 35.2546 60.4439 761087.8308 -3.2329 -3.2590 PRESSURE: 1276200 -11.817 24.8951 38.3429 24.8957 3.28129 -50.0679 38.3422 -50.0679 16.9109 GPRESSURE: 1276200 103.622 -0.994138 53.4651 18.9186 -15.0568 -101.315 -5.10993 -37.0368 -7.91187 PRESSAVG: 1276200 20.1365 -4.46176 25.3651 -4.4618 -37.2103 -21.4639 25.3651 -21.4639 -14.7762 GPRESSAVG: 1276200 21.3243 -4.77686 27.4984 -4.24684 -37.4047 -21.1291 24.6304 -20.8314 -15.8986 TIMING: 1276200 CPU: 4021.68, 0.0031641/step Wall: 4021.68, 0.0031641/step, 3.27291 hours remaining, 239.113281 MB of memory in use. ENERGY: 1276200 4040.1521 20405.9686 14455.5204 245.6695 -203439.4301 2644.0377 0.0000 0.0000 51984.5996 -109663.4823 298.7562 -161648.0818 -109296.5895 298.9847 2.7917 26.8844 760647.7674 -10.6167 -10.6597 LDB: ============= START OF LOAD BALANCING ============== 4034.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4034.08 LDB: =============== DONE WITH MIGRATION ================ 4034.08 LDB: ============= START OF LOAD BALANCING ============== 4034.39 LDB: Largest compute 7077 load 0.031468 is 16.1% of average load 0.195943 LDB: Average compute 0.004372 is 2.2% of average load 0.195943 LDB: TIME 4034.4 LOAD: AVG 0.195943 MAX 0.213295 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.043 MB LDB: TIME 4034.4 LOAD: AVG 0.195943 MAX 0.213295 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.043 MB LDB: TIME 4034.4 LOAD: AVG 0.195943 MAX 0.213295 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.043 MB LDB: ============== END OF LOAD BALANCING =============== 4034.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4034.4 PRESSURE: 1276400 45.0253 14.8028 -101.471 14.8034 -64.9478 -85.5928 -101.471 -85.5919 -115.322 GPRESSURE: 1276400 237.476 -97.4931 -63.1291 -139.742 -162.8 -26.1851 -50.875 -35.5549 -127.149 PRESSAVG: 1276400 57.3988 -35.1061 -47.6544 -35.106 -77.9029 -21.7244 -47.6544 -21.7244 -0.0172518 GPRESSAVG: 1276400 58.1415 -36.3033 -48.5602 -36.9266 -78.2223 -21.8532 -47.0735 -24.3083 -0.250158 TIMING: 1276400 CPU: 4022.32, 0.00322857/step Wall: 4022.32, 0.00322857/step, 3.33942 hours remaining, 237.632812 MB of memory in use. ENERGY: 1276400 3954.7614 20472.8938 14478.2068 245.2735 -203453.1290 2747.4857 0.0000 0.0000 51946.1259 -109608.3820 298.5351 -161554.5079 -109240.9504 298.7281 -45.0816 -17.4907 762571.2883 -6.8405 -6.7770 PRESSURE: 1276600 284.301 -3.71063 -156.523 -3.70993 -96.5663 185.805 -156.524 185.804 251.286 GPRESSURE: 1276600 233.028 53.4334 -111.721 -59.2726 -1.00172 109.757 -72.2757 206.851 289.407 PRESSAVG: 1276600 22.8945 -51.6656 -7.04888 -51.6657 -1.49577 1.6162 -7.04885 1.61618 -10.1761 GPRESSAVG: 1276600 22.3156 -49.5189 -7.33251 -49.8446 -0.164685 1.48294 -6.37442 3.7971 -10.485 TIMING: 1276600 CPU: 4022.96, 0.00317319/step Wall: 4022.96, 0.00317319/step, 3.28196 hours remaining, 237.632812 MB of memory in use. ENERGY: 1276600 3937.9040 20538.6567 14438.0824 237.6680 -203016.8398 2448.9525 0.0000 0.0000 51881.4964 -109534.0797 298.1637 -161415.5761 -109184.9150 298.8479 146.3403 173.8111 762378.6534 3.7409 3.8886 PRESSURE: 1276800 208.765 -32.0619 -189.27 -32.0623 9.62142 137.377 -189.27 137.377 -90.8658 GPRESSURE: 1276800 264.577 -111.933 -150.228 127.009 -18.4883 248.023 -165.661 37.2367 -29.4011 PRESSAVG: 1276800 50.182 -0.511433 -27.8737 -0.511536 -44.0418 27.4378 -27.8737 27.4378 -23.9399 GPRESSAVG: 1276800 51.2324 -1.05681 -28.1677 0.207918 -46.2454 27.4236 -26.7178 27.112 -22.7959 TIMING: 1276800 CPU: 4023.59, 0.00316874/step Wall: 4023.59, 0.00316874/step, 3.27718 hours remaining, 237.632812 MB of memory in use. ENERGY: 1276800 3887.0976 20486.0479 14464.0448 272.2560 -203139.2178 2414.2627 0.0000 0.0000 51875.2692 -109740.2396 298.1279 -161615.5089 -109384.7962 298.4745 42.5069 72.2293 761078.4754 -5.9332 -5.9363 PRESSURE: 1277000 -76.5082 122.244 -300.313 122.244 63.1147 139.834 -300.312 139.834 -292.066 GPRESSURE: 1277000 -73.3645 147.196 -371.154 -4.09365 148.124 97.6873 -270.307 192.01 -281.145 PRESSAVG: 1277000 27.598 -49.2901 -35.5333 -49.2901 -28.145 14.9078 -35.5333 14.9078 5.78096 GPRESSAVG: 1277000 25.7166 -50.8644 -34.9629 -49.5052 -27.2907 14.8113 -37.6182 15.1382 7.13727 TIMING: 1277000 CPU: 4024.22, 0.00315268/step Wall: 4024.22, 0.00315268/step, 3.26039 hours remaining, 237.632812 MB of memory in use. ENERGY: 1277000 3996.0909 20224.7845 14444.1690 240.7185 -203102.7760 2190.7977 0.0000 0.0000 52058.7177 -109947.4977 299.1822 -162006.2153 -109583.6698 298.4034 -101.8199 -68.7951 762675.1903 1.7447 1.8544 PRESSURE: 1277200 220.438 -29.9697 -89.0659 -29.9696 0.188042 -146.08 -89.0649 -146.08 182.323 GPRESSURE: 1277200 215.995 15.6118 -140.146 -74.1991 55.2822 -87.4547 -166.003 -141.004 205.19 PRESSAVG: 1277200 29.8984 -9.29495 -32.1327 -9.29495 -41.3983 -24.3126 -32.1327 -24.3125 -24.2037 GPRESSAVG: 1277200 30.824 -7.51012 -32.6112 -10.3046 -41.277 -23.8838 -32.2858 -25.6501 -25.675 TIMING: 1277200 CPU: 4024.85, 0.00313869/step Wall: 4024.85, 0.00313869/step, 3.24575 hours remaining, 237.632812 MB of memory in use. ENERGY: 1277200 3994.3477 20535.9056 14432.4344 233.5669 -203420.3475 2550.0284 0.0000 0.0000 51702.2779 -109971.7865 297.1337 -161674.0645 -109620.6629 297.9750 134.3162 158.8224 760979.8978 -11.9012 -12.0427 PRESSURE: 1277400 124.048 39.9951 -249.607 39.9954 192.81 -281.183 -249.607 -281.185 228.176 GPRESSURE: 1277400 51.9069 -6.71691 -224.347 40.3485 314.602 -253.95 -273.944 -366.798 253.734 PRESSAVG: 1277400 -7.75412 -27.6648 -36.998 -27.6647 11.7002 -3.07343 -36.998 -3.07345 31.9675 GPRESSAVG: 1277400 -8.28892 -29.4191 -37.502 -27.4624 12.8811 -3.70775 -37.1625 -2.50702 30.7725 TIMING: 1277400 CPU: 4025.48, 0.00314958/step Wall: 4025.48, 0.00314958/step, 3.25684 hours remaining, 237.632812 MB of memory in use. ENERGY: 1277400 4034.3419 20414.6763 14428.2750 223.8307 -203451.6463 2494.7903 0.0000 0.0000 51693.7914 -110161.9407 297.0849 -161855.7321 -109805.1551 297.5188 181.6780 206.7478 759847.5973 11.9712 11.7882 PRESSURE: 1277600 -104.541 -16.6698 -61.0955 -16.6699 -242.192 -78.0684 -61.0957 -78.0696 -405.882 GPRESSURE: 1277600 -86.0237 81.0697 -31.4251 -59.793 -241.188 -143.05 -16.4301 -105.168 -350.861 PRESSAVG: 1277600 0.346497 -43.4938 -66.0118 -43.4939 38.6161 11.4866 -66.0118 11.4866 16.5459 GPRESSAVG: 1277600 0.138212 -43.3644 -66.6623 -44.1228 36.681 10.418 -65.9553 14.4121 18.3492 TIMING: 1277600 CPU: 4026.11, 0.00314037/step Wall: 4026.11, 0.00314037/step, 3.24714 hours remaining, 237.632812 MB of memory in use. ENERGY: 1277600 4018.7443 20359.4364 14411.3492 226.9657 -203429.2126 2442.8187 0.0000 0.0000 51723.4761 -110246.4222 297.2555 -161969.8983 -109891.8394 297.5030 -250.8716 -226.0243 759939.6282 18.5028 18.3895 PRESSURE: 1277800 218.285 120.758 98.3365 120.758 -478.662 254.894 98.337 254.893 -249.42 GPRESSURE: 1277800 129.546 213.057 108.446 179.14 -387.492 205.673 103.873 93.453 -178.238 PRESSAVG: 1277800 63.9427 -42.7985 -33.767 -42.7985 -40.027 18.3206 -33.767 18.3205 1.89059 GPRESSAVG: 1277800 64.3001 -42.2241 -32.7271 -44.1314 -39.9469 18.4156 -33.3111 16.3018 0.908405 TIMING: 1277800 CPU: 4026.74, 0.00316826/step Wall: 4026.74, 0.00316826/step, 3.27581 hours remaining, 237.632812 MB of memory in use. ENERGY: 1277800 3897.7335 20456.8364 14394.5526 212.9653 -203303.5774 2367.2817 0.0000 0.0000 51602.3055 -110371.9024 296.5592 -161974.2079 -110013.9610 297.6777 -169.9322 -145.3944 759113.8388 8.6021 8.4205 PRESSURE: 1278000 -122.854 -101.22 80.275 -101.22 -69.0269 188.338 80.2753 188.338 64.781 GPRESSURE: 1278000 -159.492 -21.7976 82.8262 -168.978 7.63263 146.228 -94.1506 150.268 105.396 PRESSAVG: 1278000 31.0743 -13.1731 -0.419726 -13.1731 -46.2073 10.5804 -0.419787 10.5804 2.16992 GPRESSAVG: 1278000 30.4973 -14.4639 1.56693 -9.53921 -46.5071 11.053 -3.35669 11.3708 2.98294 TIMING: 1278000 CPU: 4027.37, 0.00314053/step Wall: 4027.37, 0.00314053/step, 3.24696 hours remaining, 237.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1278000 4009.9216 20357.4349 14364.7907 256.1357 -203918.4250 2713.5064 0.0000 0.0000 51995.7009 -110220.9349 298.8200 -162216.6358 -109859.1774 297.8638 -42.3665 -15.4877 759245.2559 -4.3210 -4.3423 PRESSURE: 1278200 104.545 -49.1111 -192.904 -49.1121 -246.555 -236.371 -192.904 -236.371 -391.4 GPRESSURE: 1278200 131.198 -13.4538 -219.858 -57.1941 -256.472 -231.881 -200.456 -175.44 -301.713 PRESSAVG: 1278200 24.8393 -77.3306 -15.338 -77.3305 -53.6361 41.3421 -15.338 41.342 10.374 GPRESSAVG: 1278200 25.2828 -76.9887 -17.312 -78.4096 -53.8252 40.5305 -13.5014 42.6589 10.181 TIMING: 1278200 CPU: 4028, 0.00314687/step Wall: 4028, 0.00314687/step, 3.25333 hours remaining, 237.632812 MB of memory in use. ENERGY: 1278200 3945.8201 20469.8057 14425.8173 237.7592 -203564.4956 2542.8311 0.0000 0.0000 51858.8780 -110083.5842 298.0337 -161942.4622 -109740.4553 297.9446 -177.8033 -142.3287 759609.2035 -6.1410 -6.1205 PRESSURE: 1278400 -123.739 183.616 7.80589 183.617 -125.942 39.0125 7.80637 39.0114 -269.98 GPRESSURE: 1278400 -155.991 143.186 52.3364 302.998 -94.8952 178.173 12.2473 -81.6804 -159.356 PRESSAVG: 1278400 -1.78318 -10.0782 -43.4494 -10.0782 -12.3726 24.7943 -43.4494 24.7944 -17.7544 GPRESSAVG: 1278400 0.359567 -10.7182 -43.078 -9.68851 -12.9395 26.326 -43.44 22.6152 -18.6959 TIMING: 1278400 CPU: 4028.63, 0.00314872/step Wall: 4028.63, 0.00314872/step, 3.25507 hours remaining, 237.632812 MB of memory in use. ENERGY: 1278400 3914.8235 20432.0936 14523.9290 247.8490 -203359.2990 2339.9724 0.0000 0.0000 51811.8301 -110088.8013 297.7633 -161900.6314 -109722.7810 297.8621 -173.2203 -136.7473 760451.0922 -10.6367 -10.4253 PRESSURE: 1278600 -154.245 127.063 -27.2886 127.063 85.7563 43.1842 -27.2888 43.1842 -135.393 GPRESSURE: 1278600 -20.3701 146.332 -53.6001 157.707 -25.3275 109.314 -70.1607 88.8007 -79.8927 PRESSAVG: 1278600 -3.02901 -26.0748 12.9798 -26.0748 -21.289 -9.26744 12.9798 -9.26746 15.303 GPRESSAVG: 1278600 -4.97952 -25.8687 13.4863 -26.5002 -21.0568 -9.15903 15.1118 -9.70834 17.2048 TIMING: 1278600 CPU: 4029.26, 0.00315119/step Wall: 4029.26, 0.00315119/step, 3.25746 hours remaining, 237.632812 MB of memory in use. ENERGY: 1278600 3954.4767 20445.7529 14437.3294 256.6886 -203447.7547 2423.0530 0.0000 0.0000 51712.3479 -110218.1062 297.1916 -161930.4542 -109865.0594 298.1376 -67.9606 -41.8634 760710.8655 -3.0050 -2.9438 PRESSURE: 1278800 -246.255 38.1331 66.9163 38.1341 144.775 23.8412 66.9166 23.841 -137.913 GPRESSURE: 1278800 -226.066 -25.9491 54.2307 92.1293 94.0817 54.3471 60.542 -48.1693 -36.0655 PRESSAVG: 1278800 86.2074 -50.079 0.0271585 -50.0789 5.32723 12.2849 0.0271224 12.2849 -3.93978 GPRESSAVG: 1278800 87.4347 -50.04 -0.0217558 -49.0798 4.80247 14.0874 -2.98888 12.039 -5.33988 TIMING: 1278800 CPU: 4029.89, 0.00313894/step Wall: 4029.89, 0.00313894/step, 3.24462 hours remaining, 237.632812 MB of memory in use. ENERGY: 1278800 3939.7468 20449.7867 14483.4956 236.1226 -203741.0464 2326.5555 0.0000 0.0000 52022.7948 -110282.5443 298.9757 -162305.3392 -109931.7869 297.7863 -79.7978 -56.0167 758109.8778 29.1983 28.9658 PRESSURE: 1279000 -104.947 -136.489 -73.7901 -136.49 -360.232 187.07 -73.7901 187.07 172.808 GPRESSURE: 1279000 3.54586 -59.8657 -159.585 -193.854 -402.581 282.698 -82.3468 117.162 187.746 PRESSAVG: 1279000 -2.4143 -49.5547 -40.501 -49.5547 -24.9787 35.244 -40.501 35.244 -3.17175 GPRESSAVG: 1279000 -3.23777 -48.4968 -40.674 -51.7819 -24.9059 33.0699 -41.8103 34.6657 -2.77047 TIMING: 1279000 CPU: 4030.51, 0.00314759/step Wall: 4030.51, 0.00314759/step, 3.25339 hours remaining, 237.632812 MB of memory in use. ENERGY: 1279000 3830.4634 20415.6461 14391.7182 247.7615 -203277.5619 2369.9816 0.0000 0.0000 51998.9634 -110023.0278 298.8388 -162021.9912 -109664.2204 297.9683 -97.4570 -70.4296 760295.9145 -10.1882 -10.3047 PRESSURE: 1279200 -158.873 84.3962 -258.871 84.3954 -73.9497 -37.449 -258.87 -37.4479 143.478 GPRESSURE: 1279200 -69.3362 1.80572 -170.49 127.554 -56.3458 -29.6543 -236.079 -25.3156 116.307 PRESSAVG: 1279200 -58.2877 -17.3119 -38.0456 -17.3118 16.0665 5.74544 -38.0457 5.74547 -0.17084 GPRESSAVG: 1279200 -57.8095 -19.1994 -38.1156 -15.3417 16.2997 5.64223 -34.2242 6.88298 -0.390482 TIMING: 1279200 CPU: 4031.14, 0.00314999/step Wall: 4031.14, 0.00314999/step, 3.25569 hours remaining, 237.632812 MB of memory in use. ENERGY: 1279200 3954.1205 20458.3350 14424.7585 258.1023 -203749.1359 2538.4618 0.0000 0.0000 51793.1800 -110322.1778 297.6561 -162115.3578 -109963.4171 298.0932 -29.7816 -3.1250 760509.3450 -14.1307 -13.9667 PRESSURE: 1279400 -103.449 79.7175 -59.1329 79.7175 -291.156 -161.806 -59.1322 -161.806 -622.576 GPRESSURE: 1279400 -85.1973 127.292 -73.0206 87.0676 -209.982 -273.847 -122.476 -97.6637 -631.48 PRESSAVG: 1279400 21.6977 -38.6313 -26.1862 -38.6314 -16.6824 -28.5051 -26.1862 -28.5051 -17.7642 GPRESSAVG: 1279400 20.75 -37.847 -28.5561 -39.3533 -13.8629 -29.6542 -27.5508 -27.1001 -19.462 TIMING: 1279400 CPU: 4031.78, 0.00315568/step Wall: 4031.78, 0.00315568/step, 3.26139 hours remaining, 237.632812 MB of memory in use. ENERGY: 1279400 3934.8920 20443.2866 14429.1632 227.8669 -203348.9794 2142.1660 0.0000 0.0000 51905.7014 -110265.9034 298.3028 -162171.6048 -109898.1121 298.0424 -339.0605 -308.8864 761103.3947 -4.2496 -4.1916 PRESSURE: 1279600 5.31416 -20.0861 -24.5474 -20.0867 -322.911 -19.533 -24.5471 -19.5315 -24.7641 GPRESSURE: 1279600 -0.402812 -111.255 -100.411 -120.688 -276.779 21.1074 -6.49564 -29.4486 1.37833 PRESSAVG: 1279600 -24.7637 -53.1826 -63.3244 -53.1826 44.0497 -28.1994 -63.3245 -28.1994 -10.5086 GPRESSAVG: 1279600 -25.4979 -52.4688 -59.9583 -54.202 42.4035 -26.3237 -63.6053 -30.5746 -8.16472 TIMING: 1279600 CPU: 4032.41, 0.00315372/step Wall: 4032.41, 0.00315372/step, 3.2592 hours remaining, 237.632812 MB of memory in use. ENERGY: 1279600 3940.5814 20405.9888 14421.2407 254.4291 -203529.3210 2293.1443 0.0000 0.0000 51772.7906 -110441.1461 297.5389 -162213.9367 -110087.0452 297.6946 -114.1203 -91.9343 760239.6268 2.9258 2.9136 PRESSURE: 1279800 -99.2916 -64.4332 67.8329 -64.4332 -399.802 124.709 67.8324 124.709 61.5797 GPRESSURE: 1279800 -53.7837 72.9468 88.4116 -34.6976 -333.581 210.948 36.7502 188.663 -2.31479 PRESSAVG: 1279800 11.0889 -13.4663 -46.7958 -13.4663 -16.8713 -41.0172 -46.7958 -41.0172 -6.93295 GPRESSAVG: 1279800 12.1191 -13.682 -47.0493 -13.2928 -16.9873 -38.5858 -47.7153 -41.292 -8.00031 TIMING: 1279800 CPU: 4033.04, 0.00315062/step Wall: 4033.04, 0.00315062/step, 3.25582 hours remaining, 237.632812 MB of memory in use. ENERGY: 1279800 3979.2128 20447.3546 14467.3904 263.2465 -203835.5932 2574.3964 0.0000 0.0000 51896.5270 -110207.4655 298.2501 -162103.9925 -109838.5152 297.3713 -145.8379 -129.8930 761685.7228 -4.2385 -4.2895 PRESSURE: 1280000 333.191 70.4451 26.2294 70.4443 -25.705 6.53244 26.2288 6.53303 -129.293 GPRESSURE: 1280000 359.076 121.511 41.5915 126.935 -3.4352 -55.1664 97.2048 111.258 -103.378 PRESSAVG: 1280000 16.4662 18.372 7.55938 18.3719 2.58342 65.7901 7.55937 65.7902 -0.113116 GPRESSAVG: 1280000 17.4876 19.0052 7.08013 19.4196 1.64889 63.4585 7.02105 66.6671 -0.646583 TIMING: 1280000 CPU: 4033.67, 0.00316607/step Wall: 4033.67, 0.00316607/step, 3.2716 hours remaining, 237.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1280000 3994.2767 20491.1985 14473.9469 257.9743 -203632.8041 2513.5261 0.0000 0.0000 51741.8029 -110160.0787 297.3609 -161901.8816 -109803.5994 298.2679 59.3978 84.0876 760018.4304 6.3122 6.1633 PRESSURE: 1280200 -338.616 29.6331 -34.1962 29.633 -166.485 280.61 -34.1957 280.61 -335.798 GPRESSURE: 1280200 -244.002 -7.8765 -24.7682 120.115 -145.209 185.518 -37.347 226.629 -381.257 PRESSAVG: 1280200 -5.37988 -3.75656 -37.8693 -3.75661 2.84762 45.6376 -37.8692 45.6375 -2.6579 GPRESSAVG: 1280200 -4.70222 -5.63502 -38.877 -3.01169 2.1485 46.0123 -37.0709 45.5375 -2.08725 TIMING: 1280200 CPU: 4034.3, 0.00313237/step Wall: 4034.3, 0.00313236/step, 3.2366 hours remaining, 237.632812 MB of memory in use. ENERGY: 1280200 4029.7098 20579.5187 14472.7746 244.7633 -203854.0911 2244.8101 0.0000 0.0000 52072.7227 -110209.7919 299.2627 -162282.5146 -109842.8134 298.5456 -280.2995 -256.8228 758169.9747 -1.7301 -1.5470 LDB: ============= START OF LOAD BALANCING ============== 4046.7 LDB: ============== END OF LOAD BALANCING =============== 4046.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4046.7 LDB: ============= START OF LOAD BALANCING ============== 4047.02 LDB: Largest compute 7077 load 0.034473 is 17.6% of average load 0.195938 LDB: Average compute 0.004382 is 2.2% of average load 0.195938 LDB: TIME 4047.02 LOAD: AVG 0.195938 MAX 0.213333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.633 MB LDB: TIME 4047.02 LOAD: AVG 0.195938 MAX 0.213333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.633 MB LDB: TIME 4047.02 LOAD: AVG 0.195938 MAX 0.213333 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.633 MB LDB: ============== END OF LOAD BALANCING =============== 4047.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.03 PRESSURE: 1280400 353.143 92.4585 -31.4115 92.4576 8.01137 -126.622 -31.4112 -126.624 239.777 GPRESSURE: 1280400 349.078 19.0826 -17.8818 18.6606 134.554 -131.185 -27.8619 -4.00535 194.488 PRESSAVG: 1280400 -25.2425 -14.3843 -50.8952 -14.3844 55.4766 -0.999072 -50.8952 -0.999145 10.649 GPRESSAVG: 1280400 -27.454 -12.9657 -51.6787 -13.2889 57.6475 -0.0686595 -46.5706 -0.598598 10.3694 TIMING: 1280400 CPU: 4034.94, 0.00323758/step Wall: 4034.94, 0.00323758/step, 3.34514 hours remaining, 238.269531 MB of memory in use. ENERGY: 1280400 3943.2213 20672.0542 14518.7063 251.9306 -203572.9159 2482.8070 0.0000 0.0000 51715.6793 -109988.5173 297.2107 -161704.1966 -109628.7041 298.8143 200.3105 226.0400 758816.7983 13.6277 13.5210 PRESSURE: 1280600 212.091 -251.593 34.628 -251.592 -347.592 -188.341 34.6282 -188.34 -359.597 GPRESSURE: 1280600 227.335 -185.842 79.0706 -325.857 -336.764 -106.348 -1.76955 -73.1687 -295.684 PRESSAVG: 1280600 13.4691 -23.9944 -11.5352 -23.9945 -3.2198 -25.0393 -11.5352 -25.0393 -4.29189 GPRESSAVG: 1280600 14.3682 -23.3633 -11.4204 -25.6599 -4.27313 -25.587 -14.1177 -24.1838 -3.91382 TIMING: 1280600 CPU: 4035.58, 0.00317908/step Wall: 4035.58, 0.00317908/step, 3.28452 hours remaining, 238.472656 MB of memory in use. ENERGY: 1280600 4035.4269 20496.3513 14571.2901 228.9621 -203704.1904 2462.9713 0.0000 0.0000 51956.9539 -109952.2348 298.5973 -161909.1887 -109593.2222 298.5969 -165.0326 -135.0381 760628.0934 1.9858 2.0604 PRESSURE: 1280800 61.8109 56.7993 -207.66 56.7998 -55.866 164.437 -207.659 164.437 186.55 GPRESSURE: 1280800 59.1819 139.698 -253.336 -50.0897 78.9506 179.263 -32.2728 194.406 155.275 PRESSAVG: 1280800 1.2601 -4.92547 5.71372 -4.92547 35.4509 28.0659 5.7137 28.0659 -17.1158 GPRESSAVG: 1280800 1.00261 -5.6478 7.27712 -7.26753 35.7974 28.1962 3.23856 27.4722 -17.2716 TIMING: 1280800 CPU: 4036.21, 0.00315954/step Wall: 4036.21, 0.00315954/step, 3.26415 hours remaining, 238.472656 MB of memory in use. ENERGY: 1280800 3927.9145 20595.1740 14531.6507 256.3220 -203392.5380 2487.2353 0.0000 0.0000 51854.0538 -109740.1877 298.0060 -161594.2415 -109377.1933 298.9199 64.1648 97.8027 761286.3116 6.5317 6.5095 PRESSURE: 1281000 5.47553 2.94079 51.9997 2.94072 -124.5 -4.2733 51.9995 -4.27329 65.7798 GPRESSURE: 1281000 -31.6674 -99.7925 42.224 105.456 3.76799 -9.69069 104.645 23.6884 40.4752 PRESSAVG: 1281000 16.0313 18.5131 -22.9588 18.5131 8.06657 33.2587 -22.9588 33.2587 -15.4932 GPRESSAVG: 1281000 15.1547 20.2789 -24.5283 20.1469 9.125 33.0152 -20.0467 33.9679 -15.171 TIMING: 1281000 CPU: 4036.84, 0.00315701/step Wall: 4036.84, 0.00315701/step, 3.26137 hours remaining, 238.472656 MB of memory in use. ENERGY: 1281000 4042.4593 20528.3428 14500.5937 237.1492 -204007.8960 2771.7130 0.0000 0.0000 52142.0293 -109785.6086 299.6610 -161927.6380 -109418.3633 299.5662 -17.7483 4.1919 760800.5350 2.8682 3.0362 PRESSURE: 1281200 117.723 67.8249 -225.674 67.8244 -19.4916 104.097 -225.673 104.097 209.789 GPRESSURE: 1281200 114.814 54.2722 -81.7815 82.6249 55.2347 178.675 -296.988 215.28 205.315 PRESSAVG: 1281200 14.0557 -13.5064 -27.1524 -13.5064 -33.117 -34.8506 -27.1523 -34.8507 -9.63425 GPRESSAVG: 1281200 15.9371 -15.6538 -27.9614 -13.0296 -34.3684 -35.9219 -27.8389 -36.0518 -9.84339 TIMING: 1281200 CPU: 4037.47, 0.00315192/step Wall: 4037.47, 0.00315192/step, 3.25594 hours remaining, 238.472656 MB of memory in use. ENERGY: 1281200 3887.3620 20470.0673 14471.4606 237.7332 -203944.1981 2757.4876 0.0000 0.0000 52154.4092 -109965.6782 299.7321 -162120.0873 -109598.2347 298.8742 102.6733 125.1210 760108.0114 -9.5652 -9.4249 PRESSURE: 1281400 176.983 -101.196 26.1721 -101.196 -122.701 -36.7149 26.1719 -36.7147 -40.1118 GPRESSURE: 1281400 269.859 -33.3002 1.30593 -38.2802 -62.253 -64.5699 43.2706 45.3892 -124.399 PRESSAVG: 1281400 10.4892 -13.6112 -11.2122 -13.6112 -5.02948 20.0014 -11.2123 20.0015 -27.3981 GPRESSAVG: 1281400 10.598 -12.82 -8.29567 -12.3831 -5.69024 20.3637 -14.6027 20.0583 -27.3391 TIMING: 1281400 CPU: 4038.11, 0.00316666/step Wall: 4038.11, 0.00316666/step, 3.27098 hours remaining, 238.472656 MB of memory in use. ENERGY: 1281400 4005.3475 20604.3412 14533.2991 254.7451 -203654.1945 2490.8941 0.0000 0.0000 51829.7568 -109935.8107 297.8663 -161765.5676 -109578.9600 298.5697 4.7234 27.7357 760713.9590 -7.3128 -7.4771 PRESSURE: 1281600 -177.575 -47.3882 102.048 -47.3887 -242.435 -61.3833 102.048 -61.3836 -49.1427 GPRESSURE: 1281600 -113.903 -112.611 79.7093 35.2791 -240.442 -1.13264 145.204 -148.741 -27.3472 PRESSAVG: 1281600 -30.4082 23.6961 -5.81603 23.6961 9.06913 -6.13104 -5.81607 -6.13106 -24.177 GPRESSAVG: 1281600 -32.3143 23.7276 -9.08992 22.4946 10.5694 -5.592 -2.31122 -6.31761 -23.5001 TIMING: 1281600 CPU: 4038.74, 0.00317807/step Wall: 4038.74, 0.00317807/step, 3.28259 hours remaining, 238.472656 MB of memory in use. ENERGY: 1281600 3988.9453 20567.6787 14417.5711 256.5953 -203901.6949 2636.9778 0.0000 0.0000 52009.4903 -110024.4364 298.8993 -162033.9267 -109661.7657 298.3668 -156.3841 -127.2306 760663.2278 -15.1720 -15.0817 PRESSURE: 1281800 199.895 -19.1953 -28.7263 -19.1956 156.271 -79.0705 -28.7262 -79.0707 -1.46898 GPRESSURE: 1281800 214.122 94.1895 9.87723 -27.4189 164.054 -44.5717 -56.1473 -1.42366 83.8338 PRESSAVG: 1281800 39.5444 23.119 27.1748 23.1191 -16.2067 -34.1736 27.1748 -34.1736 16.044 GPRESSAVG: 1281800 39.6322 24.4185 28.833 24.4201 -17.46 -34.5439 25.7771 -33.5546 16.4601 TIMING: 1281800 CPU: 4039.37, 0.00313539/step Wall: 4039.37, 0.00313539/step, 3.23833 hours remaining, 238.472656 MB of memory in use. ENERGY: 1281800 3951.9642 20463.4193 14469.0141 235.9352 -203911.3486 2684.0108 0.0000 0.0000 51953.6268 -110153.3782 298.5782 -162107.0050 -109789.1936 297.8643 118.2322 154.0031 761137.6595 13.1272 12.8775 PRESSURE: 1282000 -55.1596 -9.19682 -19.0252 -9.19723 -69.4663 -63.4874 -19.0257 -63.4868 -455.295 GPRESSURE: 1282000 -130.994 -39.1926 -58.2212 40.1323 -12.649 -122.9 -100.813 -73.0225 -353.73 PRESSAVG: 1282000 -0.475727 -5.38384 29.1426 -5.38383 18.1778 -24.9098 29.1425 -24.9098 -5.44814 GPRESSAVG: 1282000 0.756484 -7.01735 28.3031 -5.9848 18.2574 -25.3841 28.7427 -27.891 -6.43747 TIMING: 1282000 CPU: 4040, 0.00313953/step Wall: 4040, 0.00313953/step, 3.24244 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1282000 4042.0077 20326.6851 14523.8977 236.6425 -203884.3385 2611.7670 0.0000 0.0000 52085.2010 -110058.1375 299.3344 -162143.3385 -109696.0995 298.0200 -193.3069 -165.7908 760853.7112 4.0846 4.1921 PRESSURE: 1282200 -206.403 -19.9362 -73.9259 -19.9363 -256.634 -70.5493 -73.926 -70.5498 -8.52583 GPRESSURE: 1282200 -175.956 45.3568 15.2268 -66.9451 -202.642 -152.029 -131.344 -25.0736 5.86818 PRESSAVG: 1282200 19.4039 4.571 22.3834 4.57096 -23.7533 -11.1818 22.3834 -11.1817 -5.68441 GPRESSAVG: 1282200 19.2741 5.37753 24.2608 4.07568 -23.928 -10.0628 24.006 -10.2184 -5.60567 TIMING: 1282200 CPU: 4040.63, 0.00315051/step Wall: 4040.63, 0.00315051/step, 3.2536 hours remaining, 238.472656 MB of memory in use. ENERGY: 1282200 3984.0371 20339.9404 14516.5071 222.5440 -203597.7061 2494.1681 0.0000 0.0000 51937.0136 -110103.4958 298.4827 -162040.5093 -109735.5918 297.9792 -157.1878 -124.2431 760210.0840 -3.3446 -3.4199 PRESSURE: 1282400 -268.767 156.849 30.3101 156.847 -234.62 -197.282 30.3099 -197.282 150.495 GPRESSURE: 1282400 -214.414 12.0256 22.2777 77.8484 -204.1 -155.656 -1.65269 -169.964 134.742 PRESSAVG: 1282400 3.62869 2.74553 6.45203 2.74547 37.0393 -38.2496 6.45208 -38.2496 -23.9123 GPRESSAVG: 1282400 3.89533 3.42518 6.20874 2.27884 37.1145 -39.532 5.41815 -35.7891 -24.448 TIMING: 1282400 CPU: 4041.26, 0.00315171/step Wall: 4041.26, 0.00315171/step, 3.25467 hours remaining, 238.472656 MB of memory in use. ENERGY: 1282400 4021.3508 20371.9697 14503.9149 235.6845 -203556.3053 2651.8445 0.0000 0.0000 51826.7547 -109944.7864 297.8491 -161771.5411 -109576.6976 298.1769 -117.6304 -94.5904 760710.1598 5.5852 5.5206 PRESSURE: 1282600 -237.828 -197.682 -78.5234 -197.682 -111.388 29.0496 -78.5235 29.0498 -409.417 GPRESSURE: 1282600 -258.239 -9.75805 -104.263 -228.974 -139.733 -48.3831 -174.914 25.2522 -282.322 PRESSAVG: 1282600 22.2737 -24.9589 -24.7549 -24.9589 2.70974 -27.2797 -24.7549 -27.2797 0.237194 GPRESSAVG: 1282600 20.4153 -25.0786 -23.8996 -22.9543 2.27667 -25.3022 -21.8792 -28.3909 1.00569 TIMING: 1282600 CPU: 4041.89, 0.00316499/step Wall: 4041.89, 0.00316499/step, 3.2682 hours remaining, 238.472656 MB of memory in use. ENERGY: 1282600 3983.8729 20528.6988 14496.6553 259.5886 -203383.0028 2307.8654 0.0000 0.0000 51857.9376 -109948.3842 298.0283 -161806.3218 -109591.8400 298.5951 -252.8780 -226.7650 761413.8726 8.4069 7.8992 PRESSURE: 1282800 -25.8584 -440.171 -70.4712 -440.171 -84.7306 105.226 -70.4716 105.227 -88.4806 GPRESSURE: 1282800 -16.8566 -342.396 -22.9768 -293.425 1.09841 84.8369 72.5122 9.12651 -88.4248 PRESSAVG: 1282800 -11.4902 -70.2123 68.0027 -70.2123 6.14814 40.1071 68.0027 40.107 17.5012 GPRESSAVG: 1282800 -11.0492 -69.2467 67.7817 -72.1536 6.85391 38.4461 66.4621 40.0067 16.3869 TIMING: 1282800 CPU: 4042.52, 0.00316652/step Wall: 4042.52, 0.00316652/step, 3.26961 hours remaining, 238.472656 MB of memory in use. ENERGY: 1282800 3984.5804 20406.3435 14412.3950 244.8264 -203856.7831 2867.3767 0.0000 0.0000 51840.5476 -110100.7136 297.9283 -161941.2612 -109733.0221 298.3606 -66.3565 -34.7277 760353.4048 4.0531 4.0639 PRESSURE: 1283000 -135.955 108.546 -50.1556 108.546 -223.424 -77.3753 -50.1553 -77.3745 -429.05 GPRESSURE: 1283000 -28.3703 96.6562 4.04917 153.955 -200.055 -106.616 -213.83 -63.9476 -487.563 PRESSAVG: 1283000 69.0383 -63.3194 6.64952 -63.3193 -25.0117 -36.7595 6.64956 -36.7596 20.7776 GPRESSAVG: 1283000 69.5456 -64.3866 6.62775 -63.1938 -25.7621 -36.807 8.13112 -37.451 20.8886 TIMING: 1283000 CPU: 4043.16, 0.00316431/step Wall: 4043.16, 0.00316431/step, 3.26715 hours remaining, 238.472656 MB of memory in use. ENERGY: 1283000 3977.3565 20437.8467 14530.5541 261.6610 -203524.0744 2372.7778 0.0000 0.0000 51833.1888 -110110.6895 297.8860 -161943.8783 -109766.1503 298.4404 -262.8096 -238.6627 761270.2686 21.6014 21.5574 PRESSURE: 1283200 -32.0628 243.325 -84.5753 243.325 -338.533 -306.993 -84.5755 -306.994 -249.832 GPRESSURE: 1283200 -38.848 181.551 -19.5781 258.95 -217.889 -273.622 -98.0379 -261.66 -275.347 PRESSAVG: 1283200 26.0673 -67.7879 -15.4595 -67.7879 -29.8635 -55.8497 -15.4594 -55.8497 1.10964 GPRESSAVG: 1283200 25.5711 -66.1264 -16.2254 -68.592 -30.2997 -53.8768 -17.4481 -58.1226 1.81869 TIMING: 1283200 CPU: 4043.79, 0.00315811/step Wall: 4043.79, 0.00315811/step, 3.26057 hours remaining, 238.472656 MB of memory in use. ENERGY: 1283200 4050.8842 20375.0244 14510.1620 225.3939 -203756.8640 2572.7083 0.0000 0.0000 51905.4420 -110117.2493 298.3013 -162022.6913 -109750.4883 298.2481 -206.8094 -177.3614 760789.6647 -0.8955 -0.9700 PRESSURE: 1283400 -58.8687 -214.018 43.2506 -214.018 -7.34567 -126.723 43.2507 -126.723 148.142 GPRESSURE: 1283400 33.3165 -158.029 34.6573 -406.139 42.7567 -147.017 112.199 -95.1158 73.7802 PRESSAVG: 1283400 -2.15649 -34.3088 -37.39 -34.3088 26.462 -17.4764 -37.39 -17.4764 -12.8385 GPRESSAVG: 1283400 -1.59828 -34.8358 -39.1045 -33.0694 26.0388 -20.4408 -35.6443 -14.0151 -13.0989 TIMING: 1283400 CPU: 4044.42, 0.0031446/step Wall: 4044.42, 0.0031446/step, 3.24645 hours remaining, 238.472656 MB of memory in use. ENERGY: 1283400 3946.0143 20590.0243 14439.7702 239.3355 -203501.4144 2499.6850 0.0000 0.0000 51712.7898 -110073.7953 297.1941 -161786.5851 -109717.6071 297.7194 27.3091 49.9512 760840.0235 3.8223 3.7806 PRESSURE: 1283600 204.386 -6.24347 59.0863 -6.24338 115.121 -38.1521 59.086 -38.1519 304.826 GPRESSURE: 1283600 283.676 70.5518 69.739 13.3907 65.5797 6.90574 55.5201 -165.535 356.031 PRESSAVG: 1283600 -19.8113 -37.0831 -46.4995 -37.0831 66.804 -69.1595 -46.4995 -69.1595 42.1528 GPRESSAVG: 1283600 -19.6624 -37.917 -44.542 -37.8891 66.8439 -69.4075 -48.8476 -69.9046 42.384 TIMING: 1283600 CPU: 4045.05, 0.00314111/step Wall: 4045.05, 0.00314111/step, 3.24267 hours remaining, 238.472656 MB of memory in use. ENERGY: 1283600 3956.0498 20421.4257 14464.7111 234.8385 -203767.4612 2714.1268 0.0000 0.0000 51978.2251 -109998.0842 298.7196 -161976.3094 -109638.2085 298.7562 208.1112 235.0957 759931.2292 29.7152 29.8551 PRESSURE: 1283800 -251.74 -146.998 69.2243 -146.998 38.084 66.6746 69.2251 66.6748 -34.5124 GPRESSURE: 1283800 -104.122 -252.869 14.1218 -165.929 -17.1976 0.136385 179.703 86.9013 -58.4586 PRESSAVG: 1283800 -15.7764 -2.74111 -5.27963 -2.74118 24.1637 63.4783 -5.2796 63.4783 17.0987 GPRESSAVG: 1283800 -17.3057 -4.33506 -5.79688 -2.00359 26.182 63.3927 -4.42102 66.2125 16.688 TIMING: 1283800 CPU: 4045.68, 0.00316757/step Wall: 4045.68, 0.00316757/step, 3.26981 hours remaining, 238.472656 MB of memory in use. ENERGY: 1283800 3979.8753 20353.6952 14482.4861 249.6102 -203288.7030 2456.1693 0.0000 0.0000 51568.5666 -110198.3004 296.3653 -161766.8670 -109827.1960 297.7956 -82.7228 -59.9260 758508.0534 8.4953 8.5214 PRESSURE: 1284000 -41.2416 -224.675 -107.565 -224.674 -104.641 136.778 -107.564 136.778 -500.232 GPRESSURE: 1284000 -47.0477 -142.792 -78.4151 -218.65 -58.9383 149.889 -48.5898 -150.926 -459.135 PRESSAVG: 1284000 -58.6622 -20.0571 -8.86259 -20.0572 36.5284 28.337 -8.8626 28.337 -13.3674 GPRESSAVG: 1284000 -57.1374 -19.9651 -7.37054 -20.8543 35.6357 28.8036 -8.49788 25.0102 -13.9034 TIMING: 1284000 CPU: 4046.31, 0.00316094/step Wall: 4046.31, 0.00316094/step, 3.26279 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1284000 3904.5685 20321.4295 14551.2341 235.1369 -203375.2688 2196.3619 0.0000 0.0000 51986.1245 -110180.4135 298.7650 -162166.5379 -109826.5794 297.7198 -215.3716 -188.3738 760564.2035 -11.8337 -11.8017 PRESSURE: 1284200 -30.1452 -91.0165 77.1824 -91.0173 384.16 -35.684 77.1825 -35.6838 327.351 GPRESSURE: 1284200 44.4995 -237.462 157.236 2.13259 389.358 -45.5281 38.9952 133.916 347.329 PRESSAVG: 1284200 -30.9549 -62.7695 11.0285 -62.7695 58.2132 -8.7434 11.0285 -8.74346 5.19253 GPRESSAVG: 1284200 -31.5799 -62.1341 10.9221 -62.0727 57.7165 -7.55324 9.22705 -8.68587 6.39136 TIMING: 1284200 CPU: 4046.94, 0.0031644/step Wall: 4046.94, 0.0031644/step, 3.26618 hours remaining, 238.472656 MB of memory in use. ENERGY: 1284200 4013.7924 20283.3143 14517.9479 232.7769 -203232.5743 2409.8127 0.0000 0.0000 51920.2405 -109854.6895 298.3863 -161774.9300 -109495.3054 298.1641 227.1217 260.3955 759462.7422 10.8169 10.8427 LDB: ============= START OF LOAD BALANCING ============== 4059.34 LDB: ============== END OF LOAD BALANCING =============== 4059.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059.34 LDB: ============= START OF LOAD BALANCING ============== 4059.66 LDB: Largest compute 7077 load 0.033023 is 16.9% of average load 0.195936 LDB: Average compute 0.004376 is 2.2% of average load 0.195936 LDB: TIME 4059.67 LOAD: AVG 0.195936 MAX 0.215382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.145 MB LDB: TIME 4059.67 LOAD: AVG 0.195936 MAX 0.215382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: TIME 4059.67 LOAD: AVG 0.195936 MAX 0.215382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: ============== END OF LOAD BALANCING =============== 4059.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059.67 PRESSURE: 1284400 -27.6215 -56.1878 -87.2557 -56.1875 12.7308 214.557 -87.2546 214.557 -30.1577 GPRESSURE: 1284400 40.0762 -158.489 -144.022 -38.2835 38.2042 112.995 64.4443 179.462 -32.3151 PRESSAVG: 1284400 -62.2976 -66.0758 51.9397 -66.0758 83.8736 -21.1874 51.9398 -21.1874 2.29276 GPRESSAVG: 1284400 -61.0301 -67.2282 51.1055 -64.57 83.6634 -20.9852 52.5642 -18.7287 1.49765 TIMING: 1284400 CPU: 4047.59, 0.00323327/step Wall: 4047.59, 0.00323327/step, 3.3371 hours remaining, 237.121094 MB of memory in use. ENERGY: 1284400 4010.6262 20303.7089 14438.4028 266.3995 -203401.7662 2504.3798 0.0000 0.0000 52029.8608 -109848.3881 299.0163 -161878.2489 -109488.4332 298.6233 -15.0161 15.3218 758550.4088 7.9563 8.0437 PRESSURE: 1284600 49.9354 -270.137 225.962 -270.137 -229.918 80.5302 225.961 80.5281 231.842 GPRESSURE: 1284600 78.2143 -259.058 274.969 -151.293 -151.784 109.758 263.45 -66.3808 216.215 PRESSAVG: 1284600 -74.1419 -70.8685 42.8151 -70.8685 78.8345 -5.8369 42.8151 -5.8368 -6.92742 GPRESSAVG: 1284600 -76.0844 -71.4423 43.6582 -71.3059 79.4068 -5.34423 44.4222 -8.46559 -5.94372 TIMING: 1284600 CPU: 4048.23, 0.00317055/step Wall: 4048.23, 0.00317055/step, 3.27219 hours remaining, 237.363281 MB of memory in use. ENERGY: 1284600 3985.8725 20246.1456 14417.4713 240.6809 -203232.3942 2460.2403 0.0000 0.0000 51895.9912 -109985.9925 298.2470 -161881.9836 -109618.1533 298.7394 17.2867 47.5483 760507.0460 -0.7449 -0.8738 PRESSURE: 1284800 -264.561 -90.4583 157.704 -90.4582 -66.1693 18.63 157.703 18.6296 -166.513 GPRESSURE: 1284800 -156.237 30.7963 92.2573 -126.621 -105.1 -32.1297 53.8003 19.4942 -157.523 PRESSAVG: 1284800 -87.3396 -56.3058 28.5726 -56.3058 72.7588 18.0275 28.5726 18.0275 3.88307 GPRESSAVG: 1284800 -85.5922 -55.7182 26.6503 -55.9463 72.2448 17.0213 29.5447 17.6064 3.53491 TIMING: 1284800 CPU: 4048.85, 0.00313544/step Wall: 4048.85, 0.00313544/step, 3.23577 hours remaining, 237.363281 MB of memory in use. ENERGY: 1284800 4098.0045 20473.6752 14469.5746 259.7741 -203402.2685 2624.6998 0.0000 0.0000 51814.1265 -109662.4137 297.7765 -161476.5402 -109314.8746 298.4415 -165.7475 -139.6198 761271.4034 -3.5659 -3.2708 PRESSURE: 1285000 157.474 -32.1942 -11.617 -32.1943 16.8868 -179.548 -11.6177 -179.549 170.35 GPRESSURE: 1285000 177.981 41.5638 0.815874 -109.019 48.3195 -169.018 -34.4726 -215.72 179.683 PRESSAVG: 1285000 -42.5115 -15.7703 -15.0731 -15.7703 85.33 -13.2679 -15.073 -13.2678 -1.35738 GPRESSAVG: 1285000 -42.652 -15.759 -14.5759 -16.1169 85.6286 -12.3322 -16.1535 -13.1763 -1.1452 TIMING: 1285000 CPU: 4049.48, 0.00313513/step Wall: 4049.48, 0.00313513/step, 3.23528 hours remaining, 237.363281 MB of memory in use. ENERGY: 1285000 3976.4181 20564.6584 14490.5210 244.3509 -203775.9865 2807.4155 0.0000 0.0000 51996.6092 -109696.0133 298.8252 -161692.6225 -109331.6004 298.6555 114.9036 135.3279 760466.3837 13.8204 13.9438 PRESSURE: 1285200 277.256 -71.9594 81.1698 -71.9595 -192.978 -149.632 81.1703 -149.632 -312.416 GPRESSURE: 1285200 214.868 -129.851 140.36 -83.5939 -52.4042 -134.581 148.794 -23.3148 -301.953 PRESSAVG: 1285200 -15.1042 -75.3835 17.323 -75.3835 42.9022 -17.8998 17.323 -17.8997 17.3119 GPRESSAVG: 1285200 -16.7889 -74.9343 17.3774 -78.2052 44.6104 -17.7906 18.3229 -16.1913 17.1326 TIMING: 1285200 CPU: 4050.11, 0.00315328/step Wall: 4050.11, 0.00315328/step, 3.25383 hours remaining, 237.363281 MB of memory in use. ENERGY: 1285200 4046.0109 20442.6717 14455.5243 253.8723 -203311.9786 2305.1601 0.0000 0.0000 52069.6512 -109739.0881 299.2450 -161808.7393 -109375.3204 299.0266 -76.0461 -46.4965 758646.7690 15.0367 14.9847 PRESSURE: 1285400 -397.862 23.6569 16.0547 23.6562 14.2287 -135.389 16.0536 -135.389 -278.988 GPRESSURE: 1285400 -232.446 48.3617 9.37983 12.3529 42.8444 -98.1906 -85.9001 -49.0308 -396.495 PRESSAVG: 1285400 -44.681 -19.5688 26.2238 -19.5689 50.3987 -8.89376 26.2238 -8.89372 8.41806 GPRESSAVG: 1285400 -43.01 -18.2822 25.711 -17.9113 48.9949 -10.2148 25.0624 -8.9281 8.24759 TIMING: 1285400 CPU: 4050.74, 0.00315401/step Wall: 4050.74, 0.00315401/step, 3.25441 hours remaining, 237.363281 MB of memory in use. ENERGY: 1285400 4055.8702 20397.0192 14399.5531 240.1576 -203316.4684 2400.4806 0.0000 0.0000 52091.9047 -109731.4831 299.3729 -161823.3878 -109370.4681 299.1219 -220.8740 -195.3654 759194.3722 4.7119 4.7441 PRESSURE: 1285600 -55.7908 -28.7919 -105.313 -28.792 -202.833 -32.7797 -105.313 -32.7793 38.1451 GPRESSURE: 1285600 11.4222 58.6787 -151.547 -26.1421 -165.305 42.9726 -100.035 -122.816 5.31368 PRESSAVG: 1285600 -63.2967 24.5938 26.6996 24.5937 -15.6016 -9.22657 26.6996 -9.22653 22.8831 GPRESSAVG: 1285600 -62.5669 21.7546 26.5199 24.1737 -16.6139 -5.96728 26.0989 -11.0761 23.5576 TIMING: 1285600 CPU: 4051.37, 0.00317084/step Wall: 4051.37, 0.00317084/step, 3.2716 hours remaining, 237.363281 MB of memory in use. ENERGY: 1285600 4017.4061 20446.7853 14424.8451 254.8193 -203256.8054 2369.3142 0.0000 0.0000 52054.5010 -109689.1346 299.1579 -161743.6356 -109328.9351 298.5567 -73.4930 -49.5230 759661.1171 -18.6718 -18.5410 PRESSURE: 1285800 54.9678 195.458 -207.29 195.459 286.071 -33.0139 -207.29 -33.0144 301.225 GPRESSURE: 1285800 156.709 140.142 -164.398 169.022 290.806 -30.8171 -142.82 14.3472 289.662 PRESSAVG: 1285800 -104.216 -7.50117 -51.9421 -7.50114 80.9041 -30.1128 -51.9421 -30.1128 -4.23151 GPRESSAVG: 1285800 -104.738 -4.06237 -50.9035 -8.97941 82.2069 -31.6569 -49.2957 -30.1076 -5.07999 TIMING: 1285800 CPU: 4052.01, 0.00318042/step Wall: 4052.01, 0.00318042/step, 3.28131 hours remaining, 237.363281 MB of memory in use. ENERGY: 1285800 3967.6251 20334.7650 14513.1482 254.5605 -203341.0856 2425.8746 0.0000 0.0000 52294.0064 -109551.1058 300.5344 -161845.1122 -109186.9863 298.4737 214.0879 245.7256 758775.3228 -9.1812 -9.2036 PRESSURE: 1286000 -340.311 41.3758 -63.1554 41.3768 -197.758 114.895 -63.1551 114.895 123.303 GPRESSURE: 1286000 -279.042 -46.9786 -67.3631 167.116 -151.428 259.698 -87.1738 32.7235 106.188 PRESSAVG: 1286000 -5.72894 21.3835 -46.2351 21.3835 38.5388 67.8053 -46.2351 67.8054 2.85048 GPRESSAVG: 1286000 -5.31749 19.0203 -45.4061 24.544 38.2041 67.024 -47.8945 69.219 3.30023 TIMING: 1286000 CPU: 4052.64, 0.00316388/step Wall: 4052.64, 0.00316388/step, 3.26407 hours remaining, 237.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1286000 3945.3832 20697.6317 14422.8967 274.4655 -203326.1970 2394.4113 0.0000 0.0000 52267.9790 -109323.4295 300.3848 -161591.4085 -108958.7367 299.2510 -138.2553 -108.0940 760242.3666 11.8868 12.0623 PRESSURE: 1286200 382.664 23.9519 -80.9135 23.952 190.872 163.876 -80.9137 163.877 404.67 GPRESSURE: 1286200 372.053 -14.52 -37.5748 47.0248 238.898 134.379 -105.673 220.762 437.943 PRESSAVG: 1286200 -20.0327 -35.655 -53.4352 -35.655 27.9448 -11.1499 -53.4352 -11.1498 19.9938 GPRESSAVG: 1286200 -20.8561 -35.9631 -56.1068 -36.344 29.4463 -11.4912 -53.6338 -10.4159 19.4848 TIMING: 1286200 CPU: 4053.28, 0.00316364/step Wall: 4053.28, 0.00316364/step, 3.26365 hours remaining, 237.363281 MB of memory in use. ENERGY: 1286200 4012.4171 20553.5519 14404.7579 239.3077 -203390.9945 2886.6893 0.0000 0.0000 52085.7995 -109208.4712 299.3378 -161294.2707 -108845.8572 299.7348 326.0688 349.6314 760556.8571 9.3020 9.3583 PRESSURE: 1286400 213.54 131.712 79.0715 131.712 -140.078 150.759 79.0725 150.758 -158.491 GPRESSURE: 1286400 179.194 135.834 9.77256 197.035 -2.42673 144.834 109.004 154.974 -189.138 PRESSAVG: 1286400 12.462 -4.75966 -19.4614 -4.7596 21.8348 -1.66185 -19.4614 -1.66187 4.61124 GPRESSAVG: 1286400 12.8768 -3.47782 -16.7708 -6.02509 20.0114 0.211471 -20.9617 -1.92949 5.61406 TIMING: 1286400 CPU: 4053.9, 0.00313816/step Wall: 4053.9, 0.00313816/step, 3.23718 hours remaining, 237.363281 MB of memory in use. ENERGY: 1286400 4080.7836 20456.5784 14423.1412 254.9759 -203332.5213 2544.1949 0.0000 0.0000 52360.3537 -109212.4936 300.9157 -161572.8472 -108849.3059 300.1491 -28.3432 -4.1236 760088.9662 12.9693 12.8341 PRESSURE: 1286600 31.5689 13.0913 -130.853 13.0919 -58.7625 76.4727 -130.853 76.4721 -67.6225 GPRESSURE: 1286600 59.0336 -52.7378 -138.284 -8.80395 37.3151 103.539 -67.166 112.738 -108.736 PRESSAVG: 1286600 -24.1179 21.126 -25.9061 21.1259 8.3674 -14.5594 -25.9062 -14.5594 14.1147 GPRESSAVG: 1286600 -23.8051 20.7746 -27.8009 22.7931 8.24773 -13.9613 -22.977 -16.7501 13.9152 TIMING: 1286600 CPU: 4054.53, 0.00313733/step Wall: 4054.53, 0.00313733/step, 3.23616 hours remaining, 237.363281 MB of memory in use. ENERGY: 1286600 3895.4149 20624.5671 14572.8072 242.1240 -203450.7104 2626.3076 0.0000 0.0000 52285.5622 -109203.9273 300.4858 -161489.4895 -108840.3363 300.2862 -31.6054 -4.1291 760521.2812 -0.5453 -0.5474 PRESSURE: 1286800 -108.597 -108.726 -114.479 -108.727 -172.936 -111.569 -114.478 -111.57 -219.8 GPRESSURE: 1286800 -149.116 41.0868 -110.19 -59.6581 -30.8322 -83.875 -163.416 -71.9853 -217.434 PRESSAVG: 1286800 -14.6648 -59.0774 -33.6447 -59.0773 -13.2676 -15.5568 -33.6446 -15.5569 1.25681 GPRESSAVG: 1286800 -14.1702 -59.6542 -32.4847 -60.2807 -12.4143 -16.2762 -35.8962 -13.4898 0.105941 TIMING: 1286800 CPU: 4055.16, 0.00315329/step Wall: 4055.16, 0.00315329/step, 3.25244 hours remaining, 237.363281 MB of memory in use. ENERGY: 1286800 4011.0016 20846.7477 14411.1393 251.0381 -202860.3404 2143.2975 0.0000 0.0000 51896.8863 -109300.2300 298.2521 -161197.1163 -108945.0852 300.2099 -167.1112 -132.4605 760937.9368 -8.8919 -8.8262 PRESSURE: 1287000 151.838 172.951 -68.7688 172.952 -183.418 170.706 -68.7686 170.705 -527.341 GPRESSURE: 1287000 202.591 147.682 -106.187 142.824 -154.607 172.014 1.43084 -1.69647 -508.145 PRESSAVG: 1287000 -64.4219 -14.2673 -9.76065 -14.2673 16.754 28.3438 -9.76065 28.3437 15.0761 GPRESSAVG: 1287000 -64.1749 -13.3099 -9.93657 -15.107 16.1049 28.0087 -9.05608 25.5857 15.4796 TIMING: 1287000 CPU: 4055.79, 0.00315048/step Wall: 4055.79, 0.00315048/step, 3.24937 hours remaining, 237.363281 MB of memory in use. ENERGY: 1287000 4053.9641 20623.3438 14411.8344 254.0594 -203144.8905 2430.5513 0.0000 0.0000 52071.4884 -109299.6492 299.2556 -161371.1376 -108935.9596 300.1430 -186.3069 -153.3870 760111.6962 -10.8639 -10.8635 PRESSURE: 1287200 189.008 42.8266 -209.073 42.8267 250.739 -146.318 -209.074 -146.318 -22.6423 GPRESSURE: 1287200 192.585 71.9925 -200.385 -39.5612 228.523 -161.078 -225.749 -91.5372 69.6127 PRESSAVG: 1287200 -32.0937 6.16663 9.57117 6.16667 22.8557 27.9773 9.57117 27.9773 28.3175 GPRESSAVG: 1287200 -33.1842 6.23747 9.18055 7.04332 23.0856 28.4708 10.0911 28.886 28.6902 TIMING: 1287200 CPU: 4056.42, 0.00314247/step Wall: 4056.42, 0.00314247/step, 3.24093 hours remaining, 237.363281 MB of memory in use. ENERGY: 1287200 3959.9634 20552.5184 14447.6738 248.1901 -203867.7442 3001.0678 0.0000 0.0000 52248.1119 -109410.2187 300.2706 -161658.3306 -109047.7546 300.2066 139.0349 163.5735 758887.5609 6.3599 6.1972 PRESSURE: 1287400 260.938 -69.4388 -39.9544 -69.4383 26.6912 -284.967 -39.9545 -284.968 -69.6226 GPRESSURE: 1287400 211.296 59.5561 -5.59825 -71.6401 118.838 -281.401 -126.72 -236.581 -56.9418 PRESSAVG: 1287400 15.1056 -18.4898 -7.75602 -18.4898 1.8028 -51.6416 -7.75605 -51.6415 -11.3427 GPRESSAVG: 1287400 16.3866 -18.6651 -8.54544 -19.6812 1.18395 -52.3129 -10.6769 -49.5649 -11.9276 TIMING: 1287400 CPU: 4057.05, 0.00313198/step Wall: 4057.05, 0.00313198/step, 3.22994 hours remaining, 237.363281 MB of memory in use. ENERGY: 1287400 4022.5891 20525.2057 14413.5242 244.8340 -203623.1151 2805.1265 0.0000 0.0000 52183.9584 -109427.8773 299.9019 -161611.8357 -109063.2005 299.9471 72.6688 91.0641 759319.7313 1.8552 1.8810 PRESSURE: 1287600 -78.7794 -215.602 -2.57615 -215.603 163.148 86.1246 -2.57614 86.1252 289.228 GPRESSURE: 1287600 -40.7306 -239.411 42.2247 -290.845 167.881 157.61 71.9372 143.16 331.947 PRESSAVG: 1287600 -76.8034 -28.6958 20.8734 -28.6957 25.3175 -10.0699 20.8734 -10.0699 13.7738 GPRESSAVG: 1287600 -78.2811 -28.9406 22.2644 -27.6288 27.3661 -9.45292 22.3312 -11.605 13.5416 TIMING: 1287600 CPU: 4057.67, 0.00312764/step Wall: 4057.67, 0.00312764/step, 3.22529 hours remaining, 237.363281 MB of memory in use. ENERGY: 1287600 3969.7405 20657.5129 14465.9803 264.1250 -203293.6996 2481.4724 0.0000 0.0000 52185.5894 -109269.2792 299.9113 -161454.8686 -108907.1388 300.2479 124.5322 153.0325 758827.0047 -12.5707 -12.4578 PRESSURE: 1287800 -66.7427 14.7025 -4.75117 14.7032 79.285 -268.477 -4.75135 -268.476 -144.788 GPRESSURE: 1287800 -53.5432 20.3138 12.6122 -15.3508 105.914 -231.135 -35.8978 -307.306 -90.5859 PRESSAVG: 1287800 -12.999 -40.0078 -75.3292 -40.0077 14.7377 -19.3383 -75.3292 -19.3383 3.00688 GPRESSAVG: 1287800 -12.6685 -40.5859 -75.7114 -40.1303 13.6651 -20.4809 -75.7999 -17.8411 3.80545 TIMING: 1287800 CPU: 4058.3, 0.00313869/step Wall: 4058.3, 0.00313869/step, 3.23651 hours remaining, 237.363281 MB of memory in use. ENERGY: 1287800 3964.2770 20484.5439 14546.0913 262.4278 -203491.8770 2557.5878 0.0000 0.0000 52289.2519 -109387.6972 300.5070 -161676.9491 -109015.2168 300.1594 -44.0819 -12.7382 761503.4002 1.5819 1.6007 PRESSURE: 1288000 -186.037 -188.604 113.396 -188.605 -71.8698 -46.7439 113.396 -46.7434 -160.354 GPRESSURE: 1288000 -199.551 -226.191 103.89 -246.983 5.64208 25.9575 90.7573 -33.9181 -158.129 PRESSAVG: 1288000 -66.0577 -31.7365 -11.3815 -31.7366 52.6325 -49.8098 -11.3814 -49.8099 6.68331 GPRESSAVG: 1288000 -66.152 -31.3352 -13.2499 -30.196 52.5531 -49.1096 -7.26365 -53.3242 6.00746 TIMING: 1288000 CPU: 4058.93, 0.00314159/step Wall: 4058.93, 0.00314159/step, 3.23933 hours remaining, 237.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1288000 4031.2648 20423.6120 14550.8469 247.2726 -203326.8821 2469.7494 0.0000 0.0000 51967.1217 -109637.0148 298.6558 -161604.1365 -109266.4975 299.3411 -139.4204 -117.3462 761229.6695 -2.2473 -2.5305 PRESSURE: 1288200 50.5175 109.866 175.72 109.866 101.623 -285.854 175.719 -285.853 385.353 GPRESSURE: 1288200 105.742 118.412 184.404 84.5566 132.22 -172.541 91.3573 -244.965 382.294 PRESSAVG: 1288200 18.5171 -18.1967 31.4598 -18.1968 -9.70238 30.4062 31.4597 30.4062 0.175175 GPRESSAVG: 1288200 20.1918 -18.7005 31.3763 -19.1953 -10.6644 30.8314 29.7833 32.4238 0.039413 TIMING: 1288200 CPU: 4059.56, 0.00314665/step Wall: 4059.56, 0.00314665/step, 3.24437 hours remaining, 237.363281 MB of memory in use. ENERGY: 1288200 3968.3219 20506.1781 14551.7690 248.5037 -203815.1295 2869.2851 0.0000 0.0000 52100.3567 -109570.7150 299.4215 -161671.0717 -109219.6279 299.2574 179.1645 206.7521 760993.8136 2.9966 3.1889 LDB: ============= START OF LOAD BALANCING ============== 4071.96 LDB: ============== END OF LOAD BALANCING =============== 4071.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.96 LDB: ============= START OF LOAD BALANCING ============== 4072.28 LDB: Largest compute 7077 load 0.032560 is 16.6% of average load 0.196012 LDB: Average compute 0.004380 is 2.2% of average load 0.196012 LDB: TIME 4072.28 LOAD: AVG 0.196012 MAX 0.216119 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.348 MB LDB: TIME 4072.28 LOAD: AVG 0.196012 MAX 0.216119 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: TIME 4072.28 LOAD: AVG 0.196012 MAX 0.216119 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: ============== END OF LOAD BALANCING =============== 4072.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4072.29 PRESSURE: 1288400 39.2586 -125.309 -88.6869 -125.307 275.677 167.72 -88.6865 167.721 399.445 GPRESSURE: 1288400 88.9805 -154.159 -151.347 -129.514 351.64 155.974 14.862 158.508 359.017 PRESSAVG: 1288400 26.1379 -47.8917 -22.6258 -47.8917 1.31185 23.0277 -22.6258 23.0277 0.264175 GPRESSAVG: 1288400 25.4696 -46.3855 -21.6984 -48.4672 1.64518 22.2467 -24.4089 21.7982 0.58121 TIMING: 1288400 CPU: 4060.21, 0.00324992/step Wall: 4060.21, 0.00324992/step, 3.35067 hours remaining, 238.605469 MB of memory in use. ENERGY: 1288400 3910.2491 20429.1588 14473.2868 245.5512 -203220.2681 2485.3145 0.0000 0.0000 51963.5730 -109713.1347 298.6354 -161676.7077 -109359.3339 298.8155 238.1266 266.5461 760804.4526 9.2380 9.2320 PRESSURE: 1288600 -178.494 -237.05 -78.6413 -237.051 38.7231 13.9003 -78.6412 13.8999 100.676 GPRESSURE: 1288600 -173.665 -210.348 -98.4579 -208.627 92.719 -27.7656 -91.1692 91.0379 113.968 PRESSAVG: 1288600 -60.7293 -73.2197 -32.1232 -73.2197 47.3728 10.1967 -32.1232 10.1968 -9.24101 GPRESSAVG: 1288600 -61.1853 -74.0128 -32.1878 -70.6544 48.0547 11.2037 -31.4953 10.3944 -9.2577 TIMING: 1288600 CPU: 4060.84, 0.0031678/step Wall: 4060.84, 0.0031678/step, 3.26583 hours remaining, 238.808594 MB of memory in use. ENERGY: 1288600 3956.9068 20387.4350 14463.9102 236.0985 -203424.0049 2523.8435 0.0000 0.0000 52214.5507 -109641.2603 300.0777 -161855.8109 -109276.4594 298.8144 -13.0317 11.0074 759956.6719 -7.5325 -7.4628 PRESSURE: 1288800 -340.355 -334.527 64.5782 -334.527 178.472 -181.009 64.5782 -181.009 -93.4607 GPRESSURE: 1288800 -242.011 -341.406 150.131 -345.596 202.49 -198.151 203.626 -105.135 -142.664 PRESSAVG: 1288800 -54.0417 -12.2845 31.8531 -12.2845 58.1643 40.5226 31.8531 40.5225 22.8213 GPRESSAVG: 1288800 -54.2702 -13.2324 31.3952 -13.6689 57.3404 40.7523 31.6984 41.3512 23.2784 TIMING: 1288800 CPU: 4061.47, 0.00315966/step Wall: 4061.47, 0.00315966/step, 3.25726 hours remaining, 238.808594 MB of memory in use. ENERGY: 1288800 4062.4813 20483.5939 14436.1988 245.8758 -203159.5382 2285.7922 0.0000 0.0000 52072.9103 -109572.6860 299.2637 -161645.5962 -109202.2016 299.2212 -85.1147 -60.7282 761103.1744 8.9813 8.7829 PRESSURE: 1289000 -180.508 160.767 25.9688 160.766 301.047 40.4189 25.9688 40.4181 178.36 GPRESSURE: 1289000 -146.718 146.859 41.6434 114.439 363.567 21.912 186.431 -152.187 148.42 PRESSAVG: 1289000 -61.653 -70.9772 57.4745 -70.9772 102.61 22.0088 57.4746 22.0087 6.86354 GPRESSAVG: 1289000 -60.2442 -70.126 57.4716 -71.8841 102.152 22.4063 57.4636 22.6383 5.46134 TIMING: 1289000 CPU: 4062.1, 0.00315232/step Wall: 4062.1, 0.00315231/step, 3.24951 hours remaining, 238.808594 MB of memory in use. ENERGY: 1289000 3939.2590 20378.8663 14506.7799 234.9269 -203535.5958 2522.1121 0.0000 0.0000 52319.3906 -109634.2611 300.6803 -161953.6517 -109261.7943 299.5142 99.6327 121.7565 760879.6842 15.9403 15.7899 PRESSURE: 1289200 327.335 -192.847 -26.7075 -192.847 74.4406 -0.178326 -26.7077 -0.178077 -136.273 GPRESSURE: 1289200 267.52 -202.256 -32.5874 -147.807 85.9211 47.1649 -44.0328 -117.411 -9.79656 PRESSAVG: 1289200 -33.7013 -50.5077 7.91435 -50.5077 13.9292 -65.7191 7.91438 -65.7192 20.6476 GPRESSAVG: 1289200 -35.645 -51.2545 9.47904 -49.9106 14.6257 -66.7597 8.75221 -66.2174 21.8392 TIMING: 1289200 CPU: 4062.73, 0.00313893/step Wall: 4062.73, 0.00313893/step, 3.23554 hours remaining, 238.808594 MB of memory in use. ENERGY: 1289200 3963.0361 20380.4148 14498.7312 247.3392 -203114.1147 2611.5145 0.0000 0.0000 51896.1359 -109516.9432 298.2478 -161413.0790 -109144.4984 299.3049 88.5009 114.5483 760543.0700 0.2918 0.2733 PRESSURE: 1289400 116.898 -60.4964 91.6992 -60.4968 126.141 117.928 91.6983 117.929 -336.801 GPRESSURE: 1289400 129.542 -77.1429 81.2085 -17.9548 190.832 106.322 106.028 112.626 -344.802 PRESSAVG: 1289400 -46.3864 -28.6811 -14.8022 -28.6812 28.0079 -19.5539 -14.8022 -19.5538 -12.2609 GPRESSAVG: 1289400 -45.1481 -27.7956 -16.1531 -27.3978 26.8738 -18.3357 -16.8083 -21.1419 -12.4561 TIMING: 1289400 CPU: 4063.36, 0.00314331/step Wall: 4063.36, 0.00314331/step, 3.23988 hours remaining, 238.808594 MB of memory in use. ENERGY: 1289400 4015.5837 20451.6672 14436.1396 263.1772 -203439.3649 2785.6636 0.0000 0.0000 51927.1456 -109559.9880 298.4260 -161487.1335 -109219.7161 299.3601 -31.2540 -8.1427 760445.8515 -10.2131 -10.2435 PRESSURE: 1289600 583.35 42.804 -260.584 42.8039 -78.9766 -51.3162 -260.584 -51.3163 -283.851 GPRESSURE: 1289600 502.1 -65.2286 -198.308 25.9654 -28.7868 -94.1005 -75.2802 52.3525 -159.075 PRESSAVG: 1289600 12.1435 -22.0924 14.2715 -22.0924 42.5851 21.9807 14.2714 21.9807 -18.7155 GPRESSAVG: 1289600 10.8892 -22.9869 14.402 -22.4158 43.4509 22.2292 15.6742 22.6242 -18.3903 TIMING: 1289600 CPU: 4063.99, 0.00314911/step Wall: 4063.99, 0.00314911/step, 3.24568 hours remaining, 238.808594 MB of memory in use. ENERGY: 1289600 3946.2280 20304.2512 14467.3002 236.4050 -203366.5213 2707.7514 0.0000 0.0000 52283.9005 -109420.6850 300.4763 -161704.5855 -109053.6079 299.3999 73.5075 104.7460 761705.3364 12.0044 11.9833 PRESSURE: 1289800 31.7181 -50.2478 166.98 -50.2473 -233.543 170.176 166.98 170.176 -22.5454 GPRESSURE: 1289800 51.8439 10.7751 185.457 -69.1883 -175.914 113.248 94.9416 47.4326 -17.1471 PRESSAVG: 1289800 25.8958 -26.2182 -2.82061 -26.2181 -5.45774 56.5343 -2.82059 56.5342 20.7792 GPRESSAVG: 1289800 27.8357 -24.7151 -3.91405 -27.3076 -5.64907 56.2547 -1.90811 55.8739 19.6623 TIMING: 1289800 CPU: 4064.62, 0.00314254/step Wall: 4064.62, 0.00314255/step, 3.23874 hours remaining, 238.808594 MB of memory in use. ENERGY: 1289800 3980.5983 20509.8804 14463.2805 245.4576 -202815.3993 2242.1699 0.0000 0.0000 52039.4695 -109334.5432 299.0715 -161374.0127 -108987.2701 299.4838 -74.7900 -47.0726 761557.1485 13.7391 13.9496 PRESSURE: 1290000 -154.909 -213.165 -207.153 -213.165 -107.58 -91.0371 -207.153 -91.0376 -216.429 GPRESSURE: 1290000 -133.856 -200.25 -240.91 -145.023 -84.3922 -105.174 -131.958 -118.567 -182.886 PRESSAVG: 1290000 -22.6457 -37.2086 8.26951 -37.2086 -12.7415 -35.8483 8.26953 -35.8483 20.1011 GPRESSAVG: 1290000 -22.5748 -37.2958 7.99972 -34.1302 -12.3718 -34.0258 8.36946 -37.1882 20.4402 TIMING: 1290000 CPU: 4065.25, 0.00316941/step Wall: 4065.25, 0.00316941/step, 3.26625 hours remaining, 238.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1290000 3989.0635 20471.1501 14533.8158 243.0548 -203184.2074 2466.3680 0.0000 0.0000 52328.9894 -109151.7658 300.7354 -161480.7552 -108779.9029 300.2175 -159.6393 -133.7111 760498.6917 -5.0954 -4.8355 PRESSURE: 1290200 207.147 -227.756 -117.249 -227.756 -114.637 151.395 -117.249 151.396 -120.99 GPRESSURE: 1290200 126.429 -103.706 -86.0839 -135.968 21.0864 157.545 9.46566 38.0344 -100.25 PRESSAVG: 1290200 43.4687 -27.506 14.7568 -27.506 -65.708 64.2262 14.7569 64.2262 -10.4198 GPRESSAVG: 1290200 43.6973 -26.5635 16.2597 -30.5989 -65.8287 63.3694 14.0185 62.9758 -10.3816 TIMING: 1290200 CPU: 4065.89, 0.00316859/step Wall: 4065.89, 0.00316859/step, 3.26523 hours remaining, 238.808594 MB of memory in use. ENERGY: 1290200 3970.6122 20478.1117 14438.6842 250.8586 -202896.0067 2340.2769 0.0000 0.0000 52313.2895 -109104.1736 300.6452 -161417.4631 -108739.1960 300.1243 -9.4934 15.7550 761973.9140 -10.8864 -10.8377 PRESSURE: 1290400 72.1504 280.439 41.0235 280.439 -109.039 -84.1415 41.0242 -84.1424 -134.574 GPRESSURE: 1290400 81.3261 232.815 56.4675 222.614 -147.083 -117.062 -12.5724 -120.361 -31.6245 PRESSAVG: 1290400 14.4921 -15.0769 11.7467 -15.0768 11.9092 77.6858 11.7467 77.6857 -2.11028 GPRESSAVG: 1290400 13.5176 -15.4594 13.654 -14.2585 13.1958 77.8126 10.2682 78.645 -1.93282 TIMING: 1290400 CPU: 4066.52, 0.00316497/step Wall: 4066.52, 0.00316497/step, 3.26132 hours remaining, 238.808594 MB of memory in use. ENERGY: 1290400 3967.7902 20500.9093 14485.5685 256.2832 -203016.8415 2427.4459 0.0000 0.0000 52266.6465 -109112.1977 300.3771 -161378.8442 -108753.2637 299.9459 -57.1542 -32.4606 761250.6163 8.0970 8.2602 PRESSURE: 1290600 -238.337 -120.231 103.315 -120.231 -59.9791 106.366 103.315 106.367 -132.467 GPRESSURE: 1290600 -240.293 -43.5861 103.251 -112.533 -21.1458 145.984 66.4421 24.437 -107.435 PRESSAVG: 1290600 -19.2446 -49.8125 27.9132 -49.8125 -32.8934 -18.9346 27.9132 -18.9345 7.48686 GPRESSAVG: 1290600 -19.3994 -51.9008 25.6022 -48.3479 -34.0584 -18.3541 30.0772 -19.2592 8.07939 TIMING: 1290600 CPU: 4067.15, 0.00316016/step Wall: 4067.15, 0.00316016/step, 3.2562 hours remaining, 238.808594 MB of memory in use. ENERGY: 1290600 3947.5357 20517.1330 14457.8953 251.2132 -202884.8691 2398.9354 0.0000 0.0000 52285.9602 -109026.1963 300.4881 -161312.1566 -108655.9565 299.7671 -143.5943 -122.9578 762310.9449 -14.8837 -15.1261 PRESSURE: 1290800 -54.2755 8.20079 -114.946 8.2008 -232.804 -23.3612 -114.946 -23.3602 -209.822 GPRESSURE: 1290800 -51.4927 49.0892 -137.231 98.0269 -196.654 37.0512 -117.918 65.8201 -163.801 PRESSAVG: 1290800 19.2036 -71.426 54.1158 -71.426 13.1157 -21.5522 54.1157 -21.5523 10.0449 GPRESSAVG: 1290800 20.2578 -72.2419 53.8464 -72.3144 12.8784 -22.4683 52.2046 -20.5213 9.57208 TIMING: 1290800 CPU: 4067.79, 0.00317261/step Wall: 4067.79, 0.00317261/step, 3.26884 hours remaining, 238.808594 MB of memory in use. ENERGY: 1290800 3966.4434 20295.0114 14522.0124 249.2633 -202622.7448 2052.5091 0.0000 0.0000 52220.3331 -109317.1720 300.1110 -161537.5050 -108938.1937 300.3276 -165.6336 -137.3159 762169.0867 14.1214 14.2361 PRESSURE: 1291000 19.6654 -236.019 -68.6054 -236.019 -354.617 12.9899 -68.606 12.9903 141.67 GPRESSURE: 1291000 73.0508 -211.308 -56.7162 -109.504 -277.447 -151.222 -148.877 24.767 104.883 PRESSAVG: 1291000 36.7106 -58.9186 -21.2875 -58.9186 -54.4138 -8.0104 -21.2875 -8.0104 -7.95496 GPRESSAVG: 1291000 36.1114 -57.1565 -21.3118 -58.5445 -54.5825 -8.12945 -20.9749 -7.30966 -7.16333 TIMING: 1291000 CPU: 4068.42, 0.00316161/step Wall: 4068.42, 0.00316161/step, 3.25734 hours remaining, 238.808594 MB of memory in use. ENERGY: 1291000 3935.9791 20544.9339 14556.6219 247.0615 -202874.4535 2251.2915 0.0000 0.0000 52122.9531 -109215.6125 299.5513 -161338.5656 -108859.5303 299.8389 -64.4272 -33.1710 760501.8216 -8.5527 -8.5448 PRESSURE: 1291200 342.204 -105.573 -276.012 -105.573 389.291 40.7824 -276.01 40.7826 -92.5047 GPRESSURE: 1291200 330.319 -98.4377 -234.267 -86.2019 488.884 74.2256 -288.677 -40.7884 -91.6548 PRESSAVG: 1291200 3.18137 -34.2096 37.0642 -34.2095 32.5555 23.6762 37.0642 23.6762 -6.1546 GPRESSAVG: 1291200 3.4067 -33.8696 36.4874 -35.1353 33.2652 22.0891 37.26 22.5526 -7.57794 TIMING: 1291200 CPU: 4069.05, 0.00317886/step Wall: 4069.05, 0.00317886/step, 3.27494 hours remaining, 238.808594 MB of memory in use. ENERGY: 1291200 3957.3010 20473.5147 14452.0877 237.8724 -203242.4865 2547.8590 0.0000 0.0000 52401.1532 -109172.6985 301.1501 -161573.8517 -108804.2771 300.1719 212.9966 242.5159 760881.1758 9.8608 9.6980 PRESSURE: 1291400 -256.059 9.10089 -23.7678 9.10052 46.4291 -122.602 -23.7688 -122.602 14.9898 GPRESSURE: 1291400 -123.24 -22.6256 -87.8227 -1.99861 -14.108 -105.02 108.742 -99.1755 18.3762 PRESSAVG: 1291400 11.9968 -8.03242 -19.1442 -8.03237 18.6181 3.97019 -19.1442 3.97019 29.1195 GPRESSAVG: 1291400 12.4927 -8.57602 -17.4532 -8.62229 17.2556 6.89358 -18.1564 5.05441 29.8656 TIMING: 1291400 CPU: 4069.69, 0.00317849/step Wall: 4069.69, 0.00317849/step, 3.27437 hours remaining, 238.808594 MB of memory in use. ENERGY: 1291400 3986.2192 20489.6303 14431.0871 234.4379 -203235.9642 2576.8790 0.0000 0.0000 52200.5734 -109317.1374 299.9974 -161517.7108 -108959.3408 300.2417 -64.8801 -39.6571 760511.1810 19.9115 19.8713 PRESSURE: 1291600 232.078 -56.218 114.709 -56.2185 323.663 120.274 114.709 120.274 139.864 GPRESSURE: 1291600 243.947 -20.0454 55.7615 -150.404 323.707 58.0695 -68.4033 73.582 204.124 PRESSAVG: 1291600 -2.14717 -2.43179 2.41847 -2.4318 13.2597 31.4763 2.41851 31.4763 -12.0389 GPRESSAVG: 1291600 -3.12191 -1.52671 4.4508 -2.26806 13.9107 30.2674 -0.115396 30.6331 -11.2391 TIMING: 1291600 CPU: 4070.33, 0.00317869/step Wall: 4070.33, 0.00317869/step, 3.2744 hours remaining, 238.808594 MB of memory in use. ENERGY: 1291600 4049.7346 20374.8682 14497.4184 243.4541 -203840.9596 2794.1550 0.0000 0.0000 52495.4162 -109385.9130 301.6919 -161881.3292 -109022.1225 299.9126 231.8683 257.2590 759989.1607 -0.3088 -0.1501 PRESSURE: 1291800 249.747 -27.1293 -93.3192 -27.1292 67.7282 63.2702 -93.3185 63.2697 -56.1797 GPRESSURE: 1291800 338.981 -114.482 -120.378 -94.6476 76.5536 77.2811 -52.6394 -0.372047 -80.8698 PRESSAVG: 1291800 23.4489 -39.7504 -3.16371 -39.7504 5.00092 9.63484 -3.16364 9.63487 -0.132201 GPRESSAVG: 1291800 23.4893 -40.2475 -4.75988 -37.639 5.73744 9.56419 -2.24104 10.3151 -0.770854 TIMING: 1291800 CPU: 4070.96, 0.003168/step Wall: 4070.96, 0.003168/step, 3.26321 hours remaining, 238.808594 MB of memory in use. ENERGY: 1291800 4006.3791 20445.1210 14488.3313 259.5984 -203259.1257 2599.5352 0.0000 0.0000 52102.4919 -109357.6688 299.4337 -161460.1607 -108986.0876 299.4411 87.0986 111.5548 759893.9875 9.4392 9.4853 PRESSURE: 1292000 254.905 162.616 -22.0812 162.616 -93.0298 90.0037 -22.0826 90.0049 50.4586 GPRESSURE: 1292000 185.455 117.049 -78.7315 158.471 -72.592 75.517 -8.5337 142.775 174.469 PRESSAVG: 1292000 -5.8627 33.7991 19.5255 33.799 10.924 27.7809 19.5254 27.781 19.9965 GPRESSAVG: 1292000 -5.19805 33.0125 19.034 31.3854 9.43373 27.6239 21.117 26.9363 21.052 TIMING: 1292000 CPU: 4071.59, 0.00315121/step Wall: 4071.59, 0.00315121/step, 3.24575 hours remaining, 238.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1292000 4008.8121 20611.6631 14538.7702 262.6354 -203272.0488 2479.1077 0.0000 0.0000 52029.4466 -109341.6137 299.0139 -161371.0603 -108984.7344 299.6484 70.7779 95.7773 761028.9068 8.3526 8.4292 PRESSURE: 1292200 186.904 -145.541 -20.734 -145.541 167.23 -309.49 -20.7342 -309.49 72.6362 GPRESSURE: 1292200 217.699 -78.2901 -0.55751 27.3446 173.995 -212.792 92.8849 -302.41 121.073 PRESSAVG: 1292200 -12.6366 -11.1299 -12.4026 -11.1299 19.0303 17.5156 -12.4026 17.5156 -7.63274 GPRESSAVG: 1292200 -12.2588 -11.2184 -12.4286 -8.55489 20.249 17.6546 -12.1986 19.3137 -8.56993 TIMING: 1292200 CPU: 4072.22, 0.00314918/step Wall: 4072.22, 0.00314918/step, 3.24348 hours remaining, 238.808594 MB of memory in use. ENERGY: 1292200 3946.5503 20460.2020 14460.8506 248.6401 -202934.6332 2347.7658 0.0000 0.0000 52037.1599 -109433.4645 299.0583 -161470.6244 -109072.7227 299.0195 142.2565 170.9225 760475.5332 -0.4130 -0.1932 LDB: ============= START OF LOAD BALANCING ============== 4084.62 LDB: ============== END OF LOAD BALANCING =============== 4084.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4084.62 LDB: ============= START OF LOAD BALANCING ============== 4084.94 LDB: Largest compute 7077 load 0.034410 is 17.6% of average load 0.195920 LDB: Average compute 0.004378 is 2.2% of average load 0.195920 LDB: TIME 4084.94 LOAD: AVG 0.19592 MAX 0.214052 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 4084.94 LOAD: AVG 0.19592 MAX 0.214052 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 4084.94 LOAD: AVG 0.19592 MAX 0.214052 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 4084.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4084.95 PRESSURE: 1292400 26.0518 217.386 -149.039 217.386 -129.657 89.9635 -149.039 89.9636 123.781 GPRESSURE: 1292400 24.2266 49.8568 -218.296 171.759 -83.5801 80.0874 39.1478 174.58 155.32 PRESSAVG: 1292400 -33.0573 -23.9111 17.9088 -23.9111 -1.19521 91.3909 17.9088 91.3909 13.5351 GPRESSAVG: 1292400 -34.1061 -24.2937 18.197 -25.7207 -1.10087 90.2821 19.685 90.5788 14.2155 TIMING: 1292400 CPU: 4072.87, 0.00323714/step Wall: 4072.87, 0.00323714/step, 3.3339 hours remaining, 237.894531 MB of memory in use. ENERGY: 1292400 3935.2433 20597.9863 14461.4416 239.9662 -202997.0492 2376.0463 0.0000 0.0000 52057.8645 -109328.5009 299.1773 -161386.3654 -108958.8594 299.1834 6.7252 31.9888 761370.9400 -6.9058 -6.9972 PRESSURE: 1292600 177.045 -94.3298 -80.8671 -94.3311 -130.767 -196.384 -80.8674 -196.383 -230.774 GPRESSURE: 1292600 134.102 -114.506 5.31047 -56.8846 -64.918 -125.732 -32.4781 -102.845 -181.565 PRESSAVG: 1292600 -43.8362 -14.9446 -9.99295 -14.9446 36.8071 -4.26252 -9.99296 -4.26247 -14.2535 GPRESSAVG: 1292600 -42.4217 -13.6996 -9.68314 -14.3302 36.6003 -2.55965 -12.5751 -5.80325 -14.5393 TIMING: 1292600 CPU: 4073.5, 0.00316198/step Wall: 4073.5, 0.00316198/step, 3.25631 hours remaining, 237.960938 MB of memory in use. ENERGY: 1292600 4007.1427 20616.6995 14530.5552 244.7494 -203867.5018 2983.7184 0.0000 0.0000 52151.2541 -109333.3826 299.7140 -161484.6366 -108978.1387 299.1350 -61.4987 -37.4603 760621.8010 -7.0942 -6.7869 PRESSURE: 1292800 6.19997 55.5412 106.412 55.5421 206.704 -81.2148 106.411 -81.2157 344.442 GPRESSURE: 1292800 124.821 29.879 112.441 -25.5285 188.809 -93.3181 28.7784 -105.116 331.476 PRESSAVG: 1292800 -50.0999 -74.87 -40.9288 -74.8699 71.1452 52.7525 -40.9288 52.7525 -3.98013 GPRESSAVG: 1292800 -51.0694 -73.8166 -41.2466 -76.791 72.1622 51.6712 -42.8013 54.7147 -4.21346 TIMING: 1292800 CPU: 4074.13, 0.00316822/step Wall: 4074.13, 0.00316822/step, 3.26256 hours remaining, 237.960938 MB of memory in use. ENERGY: 1292800 3957.9185 20576.4098 14473.0153 242.9991 -203744.9145 2693.4200 0.0000 0.0000 52291.2023 -109509.9495 300.5183 -161801.1518 -109145.0231 299.5992 185.7820 215.0355 761143.3256 5.6884 5.6264 PRESSURE: 1293000 -70.4758 27.459 227.632 27.4604 673.776 -83.6775 227.633 -83.6784 -104.645 GPRESSURE: 1293000 9.81925 22.4217 192.141 88.0301 612.412 30.307 307.652 -178.108 -30.7631 PRESSAVG: 1293000 30.3829 -13.341 23.4945 -13.341 0.214927 -5.56914 23.4945 -5.56914 6.50234 GPRESSAVG: 1293000 31.553 -15.7303 23.7731 -11.2873 -1.241 -6.23139 23.1528 -5.61613 6.72612 TIMING: 1293000 CPU: 4074.76, 0.00315621/step Wall: 4074.76, 0.00315621/step, 3.25002 hours remaining, 237.960938 MB of memory in use. ENERGY: 1293000 4019.8685 20570.2177 14559.4115 245.4478 -203378.5517 2694.3932 0.0000 0.0000 51927.2166 -109361.9963 298.4264 -161289.2130 -109001.6522 299.4398 166.2185 197.1559 758835.6212 12.3667 12.3460 PRESSURE: 1293200 -309.981 56.6784 0.614179 56.6795 -180.973 152.786 0.61329 152.785 -87.6294 GPRESSURE: 1293200 -188.807 48.9006 -76.1748 40.2632 -251.279 104.255 -102.732 189.803 -41.018 PRESSAVG: 1293200 14.695 -16.9236 -12.2157 -16.9237 15.1549 23.2103 -12.2157 23.2103 -21.4934 GPRESSAVG: 1293200 15.0377 -16.6105 -13.031 -16.4399 15.1505 22.8088 -11.9421 23.5011 -21.5825 TIMING: 1293200 CPU: 4075.4, 0.00316824/step Wall: 4075.4, 0.00316824/step, 3.26223 hours remaining, 237.960938 MB of memory in use. ENERGY: 1293200 4044.0873 20711.0594 14464.2908 240.8170 -203494.5887 2709.4213 0.0000 0.0000 51934.8691 -109390.0438 298.4704 -161324.9129 -109036.9421 299.5133 -192.8613 -160.3682 760486.6780 2.7855 2.8686 PRESSURE: 1293400 -299.821 31.1345 214.846 31.1358 -411.193 -148.963 214.847 -148.963 36.0776 GPRESSURE: 1293400 -273.63 97.6813 204.152 29.684 -385.344 -170.665 87.2908 -227.316 69.7704 PRESSAVG: 1293400 5.96268 7.89882 11.2601 7.8988 21.2701 9.09807 11.2601 9.09804 -7.39849 GPRESSAVG: 1293400 4.53255 9.27782 11.9219 5.85256 20.9647 9.15211 11.8708 8.09624 -5.62598 TIMING: 1293400 CPU: 4076.03, 0.00316686/step Wall: 4076.03, 0.00316687/step, 3.26064 hours remaining, 238.000000 MB of memory in use. ENERGY: 1293400 4037.9841 20433.3357 14533.4375 244.7048 -202998.6116 2404.5729 0.0000 0.0000 52069.7851 -109274.7915 299.2458 -161344.5766 -108911.4699 299.4754 -224.9787 -196.4012 761355.0934 6.6114 6.6237 PRESSURE: 1293600 122.221 -129.279 100.698 -129.278 147.032 -319.519 100.698 -319.519 494.66 GPRESSURE: 1293600 122.276 -145.631 218.938 -69.9268 184.28 -242.313 90.5776 -395.261 550.759 PRESSAVG: 1293600 35.5326 -2.53381 16.838 -2.53384 -34.3995 -26.8035 16.8381 -26.8035 -22.3681 GPRESSAVG: 1293600 35.5774 -5.14123 17.7011 0.264159 -34.06 -25.5046 16.7455 -27.5856 -22.3284 TIMING: 1293600 CPU: 4076.66, 0.00315146/step Wall: 4076.66, 0.00315146/step, 3.2446 hours remaining, 238.000000 MB of memory in use. ENERGY: 1293600 3985.8195 20589.9106 14399.1300 254.9653 -203503.0026 2657.0261 0.0000 0.0000 52342.9081 -109273.2429 300.8154 -161616.1509 -108916.8998 299.9207 254.6376 285.7717 760162.1631 -7.0783 -6.9370 PRESSURE: 1293800 -447.543 -65.1213 -25.3061 -65.1207 192.101 132.9 -25.3058 132.901 152.278 GPRESSURE: 1293800 -323.512 -29.7559 -26.1577 -11.6825 238.945 87.4801 -81.6146 98.2795 89.7357 PRESSAVG: 1293800 77.1363 -39.1383 22.6501 -39.1382 -35.9098 -32.4258 22.6501 -32.4258 10.1957 GPRESSAVG: 1293800 77.8907 -38.689 20.4028 -39.5654 -35.427 -33.6906 23.1555 -29.476 9.00344 TIMING: 1293800 CPU: 4077.29, 0.00314279/step Wall: 4077.29, 0.00314279/step, 3.2355 hours remaining, 238.000000 MB of memory in use. ENERGY: 1293800 4070.2610 20498.7645 14485.1671 230.3283 -203362.8706 2612.7778 0.0000 0.0000 52113.6869 -109351.8852 299.4981 -161465.5720 -108996.4837 299.8737 -34.3880 1.7228 760696.8801 17.1407 17.1557 PRESSURE: 1294000 -33.1625 80.7898 219.84 80.7901 -275.677 -28.3122 219.841 -28.3119 171.288 GPRESSURE: 1294000 -51.0167 35.5358 228.393 42.3138 -169.774 -66.9916 244.952 30.7208 154.897 PRESSAVG: 1294000 45.335 -15.0037 25.3256 -15.0037 4.56554 13.7588 25.3256 13.7588 20.8716 GPRESSAVG: 1294000 43.8919 -14.5642 25.3324 -15.8273 5.28884 14.0489 25.3612 13.4073 22.4159 TIMING: 1294000 CPU: 4077.92, 0.00317419/step Wall: 4077.92, 0.00317419/step, 3.26765 hours remaining, 238.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1294000 3939.6925 20515.0313 14552.1200 229.9139 -203126.9356 2414.4776 0.0000 0.0000 52215.0765 -109260.6236 300.0808 -161475.7002 -108905.7915 299.6603 -45.8504 -21.9648 758668.5177 23.5907 23.8655 PRESSURE: 1294200 244.889 21.1145 28.7913 21.1147 348.425 -57.659 28.791 -57.6588 101.068 GPRESSURE: 1294200 244.955 -76.5895 70.4159 23.6402 417.02 -113.085 51.3549 -87.2692 128.248 PRESSAVG: 1294200 36.1329 10.2815 -23.3446 10.2816 -12.9095 -47.8486 -23.3446 -47.8486 -4.49411 GPRESSAVG: 1294200 37.5611 9.46666 -24.1488 11.0782 -13.8129 -47.5857 -21.5291 -49.3445 -5.19535 TIMING: 1294200 CPU: 4078.56, 0.00317532/step Wall: 4078.56, 0.00317532/step, 3.26864 hours remaining, 238.000000 MB of memory in use. ENERGY: 1294200 3974.1679 20638.1960 14557.3183 253.9303 -203025.5125 2681.0020 0.0000 0.0000 51776.8523 -109144.0457 297.5623 -160920.8981 -108783.4778 299.8788 231.4608 263.4079 759781.3515 6.2431 6.1843 PRESSURE: 1294400 -158.668 13.1208 -120.894 13.1216 93.1608 239.048 -120.895 239.048 396.218 GPRESSURE: 1294400 -6.96027 18.4684 -153.489 -117.5 120.183 99.727 -64.9077 269.906 306.628 PRESSAVG: 1294400 -22.8609 -3.39561 5.93511 -3.39567 10.028 -13.2372 5.93508 -13.2372 13.3368 GPRESSAVG: 1294400 -23.6249 -2.59554 7.02631 -5.5481 10.8575 -13.2366 4.021 -13.1208 13.2972 TIMING: 1294400 CPU: 4079.19, 0.00317338/step Wall: 4079.19, 0.00317338/step, 3.26646 hours remaining, 238.000000 MB of memory in use. ENERGY: 1294400 3953.4499 20428.3318 14559.0885 239.5416 -202889.4457 2440.1310 0.0000 0.0000 52183.6053 -109085.2976 299.8999 -161268.9030 -108717.2164 299.7698 110.2368 139.9502 760898.5533 0.1680 0.1766 PRESSURE: 1294600 -308.376 45.8524 -50.7237 45.8526 24.196 24.4264 -50.7247 24.426 -84.3441 GPRESSURE: 1294600 -254.146 120.599 -11.2485 137.629 -5.60232 -4.03239 33.2148 20.336 -47.3714 PRESSAVG: 1294600 -20.6219 -8.23234 -32.52 -8.23228 26.6398 -34.0617 -32.52 -34.0618 -7.83343 GPRESSAVG: 1294600 -20.1207 -7.35765 -31.9204 -5.85232 26.0483 -33.7442 -32.476 -32.5961 -7.67085 TIMING: 1294600 CPU: 4079.83, 0.00318321/step Wall: 4079.83, 0.00318321/step, 3.2764 hours remaining, 238.000000 MB of memory in use. ENERGY: 1294600 4062.6266 20472.3593 14528.4834 246.3676 -203132.5945 2491.5241 0.0000 0.0000 52100.5291 -109230.7043 299.4225 -161331.2334 -108867.8524 300.1441 -122.8412 -102.3732 761916.1980 -0.6052 -0.5811 PRESSURE: 1294800 21.2686 58.9388 81.9305 58.9383 300.299 -49.8236 81.9304 -49.8228 44.8796 GPRESSURE: 1294800 101.177 50.3743 48.0858 49.19 264.955 -75.8339 -2.31225 -19.4459 77.777 PRESSAVG: 1294800 -6.22336 -12.3131 7.47634 -12.3131 7.79224 -68.6524 7.47641 -68.6522 -15.5467 GPRESSAVG: 1294800 -6.25626 -11.8678 7.09179 -13.4071 7.66541 -66.8395 6.39016 -70.8027 -15.4031 TIMING: 1294800 CPU: 4080.46, 0.00316657/step Wall: 4080.46, 0.00316657/step, 3.2591 hours remaining, 238.000000 MB of memory in use. ENERGY: 1294800 4035.7373 20462.4813 14513.8900 262.4479 -203079.0562 2424.6626 0.0000 0.0000 52161.0478 -109218.7893 299.7703 -161379.8370 -108855.1552 299.9758 122.1491 147.9695 760351.8307 -4.6593 -4.6647 PRESSURE: 1295000 -217.06 83.9463 -197.62 83.9458 95.1781 4.95556 -197.619 4.95432 -55.2513 GPRESSURE: 1295000 -113.523 118.93 -223.762 0.147144 113.181 17.2767 -38.6957 54.9759 -92.8992 PRESSAVG: 1295000 -47.4386 80.9001 -50.9838 80.9001 15.6424 -46.3331 -50.9838 -46.3331 4.46786 GPRESSAVG: 1295000 -46.6551 80.4933 -50.4226 79.785 15.3576 -47.6605 -51.142 -45.764 3.13355 TIMING: 1295000 CPU: 4081.1, 0.00316554/step Wall: 4081.1, 0.00316554/step, 3.25787 hours remaining, 238.000000 MB of memory in use. ENERGY: 1295000 3957.8376 20363.8767 14465.2391 241.7836 -202774.9816 2286.7645 0.0000 0.0000 52170.2386 -109289.2415 299.8231 -161459.4801 -108915.6285 299.8286 -59.0443 -31.0805 760500.2197 -9.1095 -9.3880 PRESSURE: 1295200 -204.329 -12.0029 173.655 -12.0026 245.843 102.876 173.655 102.875 -638.374 GPRESSURE: 1295200 -222.669 42.8 70.4591 -33.3153 263.989 116.754 145.071 49.2671 -541.26 PRESSAVG: 1295200 24.7839 24.4981 12.6493 24.4981 -1.26601 3.43625 12.6494 3.43631 -1.85406 GPRESSAVG: 1295200 22.4936 23.314 11.4822 26.4159 -1.25529 2.89137 13.9015 5.11057 -0.442169 TIMING: 1295200 CPU: 4081.73, 0.00315742/step Wall: 4081.73, 0.00315742/step, 3.24933 hours remaining, 238.000000 MB of memory in use. ENERGY: 1295200 4003.6167 20471.3745 14470.8444 241.7958 -203199.1432 2648.1851 0.0000 0.0000 52041.3151 -109322.0115 299.0822 -161363.3266 -108960.5199 299.9196 -198.9532 -166.6466 761356.6183 7.2213 6.9320 PRESSURE: 1295400 205.924 91.4434 167.322 91.4438 262.524 54.7976 167.322 54.7977 389.158 GPRESSURE: 1295400 173.617 36.805 173.102 -38.1888 317.104 78.7946 38.5179 56.5122 460.775 PRESSAVG: 1295400 13.2896 22.9596 2.62158 22.9597 -14.0858 -21.1883 2.62159 -21.1883 -1.78968 GPRESSAVG: 1295400 14.2821 26.3431 3.07574 19.5639 -14.5536 -21.6723 0.300359 -22.9228 -2.09767 TIMING: 1295400 CPU: 4082.36, 0.00315731/step Wall: 4082.36, 0.00315731/step, 3.24905 hours remaining, 238.000000 MB of memory in use. ENERGY: 1295400 4063.2697 20522.9621 14481.5692 256.6815 -203633.7955 2779.2426 0.0000 0.0000 52117.7338 -109412.3365 299.5213 -161530.0703 -109053.6117 299.4698 285.8685 317.1654 761638.2194 -0.8620 -0.7897 PRESSURE: 1295600 -217.776 0.220901 -135.68 0.220352 -228.441 180.919 -135.68 180.919 -332.287 GPRESSURE: 1295600 -186.482 18.3751 -88.0462 -56.2422 -215.315 96.6177 -53.8475 250.906 -282.84 PRESSAVG: 1295600 -9.31997 -39.9928 -9.73306 -39.9928 6.23593 47.8315 -9.73309 47.8315 16.3552 GPRESSAVG: 1295600 -8.353 -42.3614 -9.41581 -38.2487 6.37547 47.6831 -7.45696 50.9475 15.9496 TIMING: 1295600 CPU: 4082.99, 0.00317211/step Wall: 4082.99, 0.00317211/step, 3.2641 hours remaining, 238.000000 MB of memory in use. ENERGY: 1295600 3999.3963 20486.8770 14524.7949 245.3686 -203123.7341 2359.8790 0.0000 0.0000 52019.1500 -109488.2682 298.9548 -161507.4182 -109131.8867 299.1338 -259.5013 -228.2122 761716.3542 4.4237 4.6574 PRESSURE: 1295800 -240.881 -42.5096 -98.7718 -42.5099 -92.086 -35.9446 -98.7718 -35.9438 -348.903 GPRESSURE: 1295800 -214.816 -188.178 -107.589 -23.3933 -59.8068 -39.5528 -204.892 -41.8126 -341.979 PRESSAVG: 1295800 13.7776 -18.2367 21.589 -18.2366 31.206 8.60595 21.589 8.606 16.2038 GPRESSAVG: 1295800 14.4202 -19.3837 20.2022 -17.1477 32.6082 10.3195 21.4049 7.38816 14.4161 TIMING: 1295800 CPU: 4083.63, 0.00318104/step Wall: 4083.63, 0.00318104/step, 3.27311 hours remaining, 238.000000 MB of memory in use. ENERGY: 1295800 3953.2065 20419.7733 14522.8366 234.0631 -203169.5437 2543.6882 0.0000 0.0000 51872.1893 -109623.7867 298.1102 -161495.9760 -109259.8498 298.9602 -227.2901 -205.5339 762375.0309 20.3958 20.4815 PRESSURE: 1296000 334.116 155.56 -69.3488 155.56 -12.8998 125.849 -69.3484 125.849 -318.774 GPRESSURE: 1296000 279.718 179.768 -84.4159 253.93 23.3639 68.4722 5.81722 5.2081 -224.199 PRESSAVG: 1296000 -58.943 -34.8886 -54.6826 -34.8886 28.2362 -38.4527 -54.6826 -38.4528 -10.5886 GPRESSAVG: 1296000 -59.9561 -33.7589 -55.4907 -35.3559 26.8206 -40.9135 -55.594 -37.8804 -8.39554 TIMING: 1296000 CPU: 4084.27, 0.00318554/step Wall: 4084.27, 0.00318554/step, 3.27757 hours remaining, 238.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1296000 3968.5071 20408.4769 14496.8146 236.3349 -203426.4282 2616.1006 0.0000 0.0000 51826.7162 -109873.4780 297.8489 -161700.1942 -109513.9706 298.7279 0.8140 26.2942 760182.0105 -13.7651 -13.8437 PRESSURE: 1296200 -59.9935 -70.9973 64.2445 -70.998 -43.311 146.411 64.2451 146.411 -161.294 GPRESSURE: 1296200 -2.02944 -165.551 20.4228 -123.15 -22.6689 175.759 58.329 108.297 -148.633 PRESSAVG: 1296200 42.0659 -70.0547 -44.4642 -70.0547 26.0182 35.4696 -44.4642 35.4697 -8.27524 GPRESSAVG: 1296200 43.4146 -69.5593 -43.3271 -70.0479 25.2513 35.9169 -42.9147 36.1291 -9.18902 TIMING: 1296200 CPU: 4084.9, 0.00317634/step Wall: 4084.9, 0.00317634/step, 3.26792 hours remaining, 238.199219 MB of memory in use. ENERGY: 1296200 3883.6535 20473.5800 14512.1091 249.1098 -203159.1802 2445.6654 0.0000 0.0000 51876.0931 -109718.9693 298.1326 -161595.0624 -109359.2475 298.6722 -88.1996 -57.7770 762512.1414 19.9363 19.8256 LDB: ============= START OF LOAD BALANCING ============== 4097.3 LDB: ============== END OF LOAD BALANCING =============== 4097.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4097.31 LDB: ============= START OF LOAD BALANCING ============== 4097.62 LDB: Largest compute 7077 load 0.035240 is 18.0% of average load 0.195952 LDB: Average compute 0.004362 is 2.2% of average load 0.195952 LDB: TIME 4097.63 LOAD: AVG 0.195952 MAX 0.215597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.656 MB LDB: TIME 4097.63 LOAD: AVG 0.195952 MAX 0.215597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.656 MB LDB: TIME 4097.63 LOAD: AVG 0.195952 MAX 0.215597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.656 MB LDB: ============== END OF LOAD BALANCING =============== 4097.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4097.63 PRESSURE: 1296400 97.1741 233.519 260.472 233.519 290.538 -40.446 260.471 -40.4463 103.142 GPRESSURE: 1296400 145.593 164.648 235.07 135.929 294.738 -104.215 55.0182 -119.895 127.865 PRESSAVG: 1296400 -43.6361 -18.5773 -25.3836 -18.5772 85.5363 5.37005 -25.3836 5.37008 0.382097 GPRESSAVG: 1296400 -45.3433 -20.5355 -25.2058 -18.1558 86.1473 7.06964 -25.2736 3.01285 0.936052 TIMING: 1296400 CPU: 4085.55, 0.00323936/step Wall: 4085.55, 0.00323936/step, 3.33258 hours remaining, 238.925781 MB of memory in use. ENERGY: 1296400 3929.4765 20518.6595 14500.7504 243.3601 -203361.8869 2601.3925 0.0000 0.0000 51927.0278 -109641.2202 298.4253 -161568.2480 -109289.1879 298.5537 163.6180 189.3987 761713.4368 14.0941 13.9133 PRESSURE: 1296600 83.5207 -34.2292 -105.525 -34.2296 -131.336 -49.0619 -105.525 -49.0623 65.2115 GPRESSURE: 1296600 94.7213 -113.793 -74.33 -100.03 -97.0713 -132.886 -78.7262 -11.9824 102.548 PRESSAVG: 1296600 -49.1185 -31.1941 -17.0875 -31.1941 49.6198 62.9419 -17.0875 62.942 13.9014 GPRESSAVG: 1296600 -48.7178 -30.6915 -16.6263 -30.4723 50.7588 62.1199 -18.3686 63.0113 12.5954 TIMING: 1296600 CPU: 4086.19, 0.00316979/step Wall: 4086.19, 0.00316979/step, 3.26083 hours remaining, 238.925781 MB of memory in use. ENERGY: 1296600 4034.6496 20441.1441 14491.5459 247.6002 -203269.0816 2399.3225 0.0000 0.0000 51910.7587 -109744.0607 298.3318 -161654.8194 -109382.0585 298.8319 5.7988 33.3992 760376.3625 4.8009 4.8788 PRESSURE: 1296800 88.5771 -13.7202 -147.7 -13.7196 92.2157 -59.8166 -147.7 -59.8175 -38.919 GPRESSURE: 1296800 179.943 -0.179985 -126.295 50.3145 136.496 -44.0042 -138.082 -50.3093 -97.7321 PRESSAVG: 1296800 63.4249 24.2387 -6.30775 24.2387 -9.14464 -41.199 -6.30769 -41.199 -5.11269 GPRESSAVG: 1296800 62.6403 26.2504 -7.83716 22.5045 -8.64793 -39.1874 -4.58698 -39.5703 -4.34137 TIMING: 1296800 CPU: 4086.82, 0.00316301/step Wall: 4086.82, 0.00316302/step, 3.25369 hours remaining, 238.925781 MB of memory in use. ENERGY: 1296800 3961.4862 20572.9106 14468.1254 250.7050 -203854.7543 2785.5043 0.0000 0.0000 52311.3907 -109504.6320 300.6343 -161816.0228 -109148.0321 299.0093 47.2913 72.9024 760600.4385 16.3892 16.5503 PRESSURE: 1297000 225.149 133.338 200.576 133.338 28.4147 25.641 200.575 25.6411 -12.0137 GPRESSURE: 1297000 284.861 272.068 203.382 71.8518 69.2397 -62.5402 76.3249 -25.745 -39.6195 PRESSAVG: 1297000 -64.2362 -20.6996 4.7633 -20.6996 34.4897 28.3692 4.76329 28.3692 -26.4741 GPRESSAVG: 1297000 -62.9259 -22.4416 4.15965 -21.8236 33.5216 26.3511 1.79972 26.8224 -26.6681 TIMING: 1297000 CPU: 4087.45, 0.00317754/step Wall: 4087.45, 0.00317754/step, 3.26845 hours remaining, 238.925781 MB of memory in use. ENERGY: 1297000 3970.3719 20355.3762 14516.6114 247.8237 -203532.4655 2881.6101 0.0000 0.0000 52051.3497 -109509.3225 299.1398 -161560.6723 -109147.2491 298.6527 80.5168 104.8270 761996.5179 -18.7402 -18.6908 PRESSURE: 1297200 90.9815 -187.531 26.4726 -187.53 -86.1687 19.2099 26.4731 19.21 155.638 GPRESSURE: 1297200 73.6524 -209.123 35.6943 -115.448 -69.918 15.3806 16.4131 2.06256 232.516 PRESSAVG: 1297200 -23.6622 -19.2001 -30.0935 -19.2001 26.7767 62.3251 -30.0935 62.3252 -8.92093 GPRESSAVG: 1297200 -25.337 -20.64 -28.1412 -18.0682 26.9776 61.8324 -30.9505 63.8772 -8.05403 TIMING: 1297200 CPU: 4088.09, 0.00316738/step Wall: 4088.09, 0.00316738/step, 3.25783 hours remaining, 238.925781 MB of memory in use. ENERGY: 1297200 3989.4310 20429.7700 14487.6328 241.4888 -203344.3962 2831.7803 0.0000 0.0000 51942.5641 -109421.7292 298.5146 -161364.2934 -109060.2799 298.6397 53.4834 78.7502 761471.4669 -1.9354 -2.1378 PRESSURE: 1297400 198.24 -111.203 -111.014 -111.204 178.377 116.545 -111.014 116.545 -160.139 GPRESSURE: 1297400 193.996 34.1043 -187.374 -87.1581 284.593 238.7 -174.907 17.5365 -167.793 PRESSAVG: 1297400 -19.926 -17.4417 -57.3266 -17.4417 25.0269 21.447 -57.3266 21.447 -5.26485 GPRESSAVG: 1297400 -18.1071 -16.4075 -56.8715 -16.6575 24.9027 23.6843 -55.5392 19.588 -6.3401 TIMING: 1297400 CPU: 4088.72, 0.00316541/step Wall: 4088.72, 0.00316541/step, 3.25562 hours remaining, 238.925781 MB of memory in use. ENERGY: 1297400 4073.8093 20392.6232 14529.8294 257.5247 -203000.7215 2452.3465 0.0000 0.0000 52038.0671 -109256.5213 299.0635 -161294.5883 -108896.9229 299.3002 72.1595 103.5985 760376.9270 -0.0546 0.1519 PRESSURE: 1297600 165.949 81.8318 105.329 81.8319 -306.144 -158.209 105.329 -158.208 232.906 GPRESSURE: 1297600 109.253 54.7651 84.4002 101.173 -158.101 -52.8997 182.529 -207.325 221.499 PRESSAVG: 1297600 12.3735 -16.4563 -7.70725 -16.4563 -7.48143 -11.4758 -7.70718 -11.4757 -1.43796 GPRESSAVG: 1297600 11.7262 -15.7083 -9.82167 -16.8825 -7.40808 -10.844 -6.79241 -12.0387 -0.994142 TIMING: 1297600 CPU: 4089.35, 0.00315911/step Wall: 4089.35, 0.00315911/step, 3.24897 hours remaining, 238.925781 MB of memory in use. ENERGY: 1297600 3948.4828 20386.4371 14534.1664 257.2570 -203426.5638 2667.0726 0.0000 0.0000 52418.2190 -109214.9289 301.2482 -161633.1479 -108851.2689 299.4045 30.9038 57.5503 761569.2586 1.1514 1.1080 PRESSURE: 1297800 86.0041 -50.8389 7.9317 -50.8386 223.203 -108.529 7.93205 -108.531 228.837 GPRESSURE: 1297800 128.44 -51.2566 92.0351 -106.22 248.034 -41.646 -80.8235 -73.013 251.965 PRESSAVG: 1297800 -61.6938 -50.3313 56.7578 -50.3313 -1.03864 0.873747 56.7578 0.873766 0.787163 GPRESSAVG: 1297800 -62.0854 -50.955 56.4986 -50.1135 0.061306 -1.83142 56.1335 4.98981 0.467531 TIMING: 1297800 CPU: 4089.98, 0.00314592/step Wall: 4089.98, 0.00314592/step, 3.23523 hours remaining, 238.925781 MB of memory in use. ENERGY: 1297800 3967.4938 20446.8153 14488.5888 241.7974 -203153.0037 2586.2598 0.0000 0.0000 52079.5504 -109342.4982 299.3019 -161422.0486 -108985.3180 299.5117 179.3481 209.4796 761546.5828 -20.6484 -20.5189 PRESSURE: 1298000 13.8948 -208.476 -124.158 -208.475 79.9165 86.1671 -124.158 86.1667 -199.681 GPRESSURE: 1298000 69.937 -72.5633 -113.445 -187.087 98.982 62.1421 -102.284 114.66 -195.452 PRESSAVG: 1298000 7.77833 -20.1165 -12.9964 -20.1165 -30.5447 -12.9105 -12.9964 -12.9105 -0.518013 GPRESSAVG: 1298000 9.7709 -17.7837 -12.6159 -21.2102 -31.176 -12.8855 -12.5149 -15.5293 -1.28319 TIMING: 1298000 CPU: 4090.61, 0.00315749/step Wall: 4090.61, 0.00315749/step, 3.24695 hours remaining, 238.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1298000 4001.7891 20515.2526 14474.0703 242.0491 -202727.5819 2363.3657 0.0000 0.0000 51984.9121 -109146.1431 298.7580 -161131.0552 -108793.9893 299.6887 -35.2898 -8.8445 761355.3916 -7.7615 -7.5628 PRESSURE: 1298200 -270.995 -122.532 -301.339 -122.531 0.841955 -54.5059 -301.339 -54.5061 -102.232 GPRESSURE: 1298200 -209.107 -59.2705 -325.807 -108.203 87.8693 -5.7231 -319.87 18.9841 -168.242 PRESSAVG: 1298200 -9.33185 -18.3752 -45.7125 -18.3753 11.6996 1.36751 -45.7126 1.36746 3.26827 GPRESSAVG: 1298200 -10.4791 -20.6687 -46.0046 -17.349 11.9515 2.00049 -45.9715 1.72767 3.86152 TIMING: 1298200 CPU: 4091.24, 0.0031591/step Wall: 4091.24, 0.0031591/step, 3.24843 hours remaining, 238.925781 MB of memory in use. ENERGY: 1298200 3961.3344 20451.2230 14540.8837 240.0868 -202629.3994 2265.6553 0.0000 0.0000 52185.7616 -108984.4545 299.9123 -161170.2161 -108601.3005 299.7928 -124.1284 -96.4931 763968.5873 1.8787 1.7780 PRESSURE: 1298400 -384.554 179.384 156.289 179.385 -149.675 103.528 156.289 103.529 -561.982 GPRESSURE: 1298400 -404.445 89.9892 169.333 59.3927 -84.3476 116.056 169.645 244.734 -544.725 PRESSAVG: 1298400 -62.3542 12.514 21.4988 12.5141 43.0543 -18.1489 21.4989 -18.1489 -7.43195 GPRESSAVG: 1298400 -63.5558 12.8308 22.2851 13.5707 42.3922 -17.3029 21.438 -19.6752 -6.15991 TIMING: 1298400 CPU: 4091.87, 0.00313461/step Wall: 4091.87, 0.00313461/step, 3.22308 hours remaining, 238.925781 MB of memory in use. ENERGY: 1298400 4005.8826 20424.8899 14500.1434 249.7632 -202811.5187 2219.2536 0.0000 0.0000 52314.3989 -109097.1870 300.6516 -161411.5859 -108730.1956 300.0824 -365.4037 -344.5057 762651.3954 -8.9106 -9.1078 PRESSURE: 1298600 85.0208 164.331 -30.7936 164.331 56.8395 -63.6469 -30.7948 -63.6465 -371.663 GPRESSURE: 1298600 91.5322 57.4853 -42.7853 217.514 57.6339 -72.2924 8.41738 -8.01434 -284.117 PRESSAVG: 1298600 -42.0169 23.9547 7.77779 23.9548 28.1811 -33.5317 7.77779 -33.5317 11.458 GPRESSAVG: 1298600 -42.1753 24.6425 5.85436 22.0568 28.7062 -33.6039 7.69164 -33.4929 11.5897 TIMING: 1298600 CPU: 4092.5, 0.00313847/step Wall: 4092.5, 0.00313847/step, 3.22687 hours remaining, 238.925781 MB of memory in use. ENERGY: 1298600 4060.5770 20513.9153 14489.3804 256.2717 -203358.2696 2594.9592 0.0000 0.0000 52047.0573 -109396.1087 299.1152 -161443.1660 -109030.9019 299.7701 -76.6009 -44.9837 761463.3880 -0.7926 -0.6264 PRESSURE: 1298800 195.714 -44.4479 28.6785 -44.447 -70.6924 47.0165 28.6781 47.0171 -250.457 GPRESSURE: 1298800 146.914 -14.8007 57.21 49.124 -0.0755513 -29.9605 99.6494 88.1519 -199.664 PRESSAVG: 1298800 68.472 -15.7619 25.9087 -15.762 -13.3239 -107.727 25.9088 -107.727 6.22041 GPRESSAVG: 1298800 68.7294 -14.9471 26.0952 -14.3994 -12.8128 -107.459 27.2199 -107.423 5.02186 TIMING: 1298800 CPU: 4093.13, 0.0031503/step Wall: 4093.13, 0.0031503/step, 3.23886 hours remaining, 238.925781 MB of memory in use. ENERGY: 1298800 3939.0992 20504.6503 14514.3203 273.1455 -203309.4662 2566.5701 0.0000 0.0000 52172.9931 -109338.6877 299.8389 -161511.6808 -108977.0552 299.3633 -41.8120 -17.6086 760925.8773 20.4562 20.3128 PRESSURE: 1299000 -5.80841 -5.36342 281.474 -5.36332 -169.788 17.4875 281.474 17.4879 -57.7393 GPRESSURE: 1299000 -6.22332 117.498 237.684 63.3223 -192.191 -42.5798 230.555 1.14661 25.6467 PRESSAVG: 1299000 -25.1262 -20.352 9.65241 -20.352 -8.92241 -22.1937 9.65246 -22.1937 -19.1998 GPRESSAVG: 1299000 -23.132 -18.4638 10.8639 -22.436 -11.0562 -23.5146 10.5526 -21.2038 -19.4252 TIMING: 1299000 CPU: 4093.76, 0.00315043/step Wall: 4093.76, 0.00315043/step, 3.23882 hours remaining, 238.925781 MB of memory in use. ENERGY: 1299000 4048.1633 20590.9975 14546.8836 259.9902 -203203.1242 2372.7918 0.0000 0.0000 52111.5242 -109272.7735 299.4856 -161384.2977 -108916.3372 299.6188 -77.7785 -57.5892 761854.1019 -17.7495 -17.8711 PRESSURE: 1299200 -282.792 83.7254 131.549 83.7254 -28.8167 -5.65596 131.549 -5.65642 -186.757 GPRESSURE: 1299200 -191.174 65.5621 50.0741 79.5415 -47.1125 8.80702 61.237 -98.7297 -146.857 PRESSAVG: 1299200 49.9454 -48.9915 20.1283 -48.9916 -44.6586 0.469399 20.1284 0.469492 17.5482 GPRESSAVG: 1299200 48.7928 -50.2782 20.2883 -47.8875 -44.8346 2.29348 18.1779 0.32755 18.6344 TIMING: 1299200 CPU: 4094.39, 0.00316977/step Wall: 4094.39, 0.00316977/step, 3.25852 hours remaining, 238.925781 MB of memory in use. ENERGY: 1299200 4015.4542 20559.8695 14482.4383 256.4196 -203074.1140 2533.3681 0.0000 0.0000 52069.8733 -109156.6911 299.2463 -161226.5644 -108798.7686 299.3881 -166.1220 -128.3813 762563.5009 7.6117 7.5309 PRESSURE: 1299400 -189.076 115.885 40.1975 115.885 -180.162 -1.62238 40.1984 -1.62295 -238.809 GPRESSURE: 1299400 -64.3576 116.053 16.4035 297.593 -285.212 26.1948 102.028 52.7635 -179.417 PRESSAVG: 1299400 -47.0693 -0.253534 32.1293 -0.253511 27.264 40.0129 32.1294 40.013 19.6026 GPRESSAVG: 1299400 -47.6494 -2.13075 32.0298 -0.982839 28.1725 38.4931 30.1988 40.2115 19.2679 TIMING: 1299400 CPU: 4095.03, 0.00317491/step Wall: 4095.03, 0.00317491/step, 3.26363 hours remaining, 238.925781 MB of memory in use. ENERGY: 1299400 4037.4240 20643.6106 14514.8811 240.5573 -202720.4617 2046.7011 0.0000 0.0000 52193.3795 -109043.9080 299.9561 -161237.2875 -108675.2852 299.9525 -202.6821 -176.3286 760626.8674 -0.0675 -0.0697 PRESSURE: 1299600 -390.869 -12.1789 -162.636 -12.1789 150.535 -23.7877 -162.635 -23.7875 158.193 GPRESSURE: 1299600 -368.576 -35.7377 -70.7897 106.473 216.05 -10.031 -140.326 -1.03501 157.367 PRESSAVG: 1299600 22.1528 -35.6476 -21.2007 -35.6476 24.9691 -23.5181 -21.2007 -23.5182 -8.40099 GPRESSAVG: 1299600 22.1869 -33.8938 -21.4695 -34.8402 25.0338 -21.4504 -17.3291 -22.6194 -8.72659 TIMING: 1299600 CPU: 4095.67, 0.00318918/step Wall: 4095.67, 0.00318918/step, 3.27812 hours remaining, 238.925781 MB of memory in use. ENERGY: 1299600 3962.9845 20542.6416 14470.7706 259.8099 -203058.8678 2531.8200 0.0000 0.0000 52391.0236 -108899.8176 301.0919 -161290.8412 -108534.6870 300.2836 -27.3802 1.6137 761762.5996 12.9069 12.8313 PRESSURE: 1299800 -58.1772 -18.2473 -18.2741 -18.2475 278.792 291.755 -18.273 291.755 -131.78 GPRESSURE: 1299800 29.308 92.0074 -27.4705 -27.9965 303.646 309.424 -122.942 225.089 -144.329 PRESSAVG: 1299800 -37.6136 -17.3822 26.9198 -17.3822 23.8624 -13.1805 26.9199 -13.1806 -6.19088 GPRESSAVG: 1299800 -36.48 -16.2701 26.6004 -18.0804 23.8298 -12.9837 23.652 -14.3209 -7.30427 TIMING: 1299800 CPU: 4096.3, 0.00316363/step Wall: 4096.3, 0.00316363/step, 3.25169 hours remaining, 238.925781 MB of memory in use. ENERGY: 1299800 4074.2823 20443.0592 14574.5704 267.9676 -203144.2703 2392.8035 0.0000 0.0000 52163.9192 -109227.6681 299.7868 -161391.5873 -108857.8376 299.6454 29.6115 62.8749 760168.9887 -6.6473 -6.6515 PRESSURE: 1300000 -97.0048 87.3452 23.2687 87.3452 121.812 -85.1275 23.2682 -85.128 138.409 GPRESSURE: 1300000 -10.7428 22.7478 29.5898 103.874 81.5391 -36.5969 111.883 -137.66 162.608 PRESSAVG: 1300000 -54.9173 -39.3238 19.0563 -39.3238 61.7096 38.3418 19.0564 38.3418 -27.2182 GPRESSAVG: 1300000 -56.5321 -40.2314 20.593 -38.677 62.4374 36.1823 19.8912 39.1227 -26.6772 TIMING: 1300000 CPU: 4096.93, 0.00318036/step Wall: 4096.93, 0.00318036/step, 3.2687 hours remaining, 238.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1300000 4022.0199 20618.5950 14491.6497 269.4994 -203094.8541 2424.8944 0.0000 0.0000 52087.7487 -109180.4470 299.3490 -161268.1957 -108809.4610 299.9684 54.4052 77.8016 761378.2653 -6.8086 -6.9240 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300200 -478.925 -62.8994 67.6604 -62.9001 132.562 -87.1312 67.6604 -87.1316 145.75 GPRESSURE: 1300200 -383.051 -154.411 61.1998 -19.7289 95.8727 -134.087 -82.2242 47.8372 146.54 PRESSAVG: 1300200 -39.1717 -34.8599 -13.2802 -34.8598 30.694 -4.7717 -13.2802 -4.77167 10.845 GPRESSAVG: 1300200 -36.8711 -36.163 -14.3035 -35.0448 28.4279 -4.08412 -10.9483 -3.8055 10.705 TIMING: 1300200 CPU: 4097.66, 0.0036028/step Wall: 4097.66, 0.0036028/step, 3.70267 hours remaining, 238.925781 MB of memory in use. ENERGY: 1300200 3954.2554 20640.4503 14488.8662 257.4160 -203546.5595 2852.0640 0.0000 0.0000 51968.0774 -109385.4301 298.6613 -161353.5075 -109022.1821 299.3561 -66.8712 -46.8793 761545.0243 0.7891 0.7539 LDB: ============= START OF LOAD BALANCING ============== 4110.05 LDB: ============== END OF LOAD BALANCING =============== 4110.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4110.06 LDB: ============= START OF LOAD BALANCING ============== 4110.37 LDB: Largest compute 7077 load 0.032433 is 16.5% of average load 0.196020 LDB: Average compute 0.004367 is 2.2% of average load 0.196020 LDB: TIME 4110.38 LOAD: AVG 0.19602 MAX 0.220047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.605 MB LDB: TIME 4110.38 LOAD: AVG 0.19602 MAX 0.220047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: TIME 4110.38 LOAD: AVG 0.19602 MAX 0.212474 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: ============== END OF LOAD BALANCING =============== 4110.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4110.38 PRESSURE: 1300400 7.17975 217.487 -177.431 217.487 41.8081 122.62 -177.431 122.62 112.208 GPRESSURE: 1300400 -33.8565 118.513 -121.438 287.285 131.184 188.512 -191.818 16.213 131.907 PRESSAVG: 1300400 -32.5595 -21.6593 16.2847 -21.6593 19.1116 -20.5659 16.2848 -20.5659 -1.86634 GPRESSAVG: 1300400 -34.2782 -20.4744 18.0553 -22.5425 19.3022 -19.1095 12.9443 -21.354 -0.139304 TIMING: 1300400 CPU: 4098.3, 0.00323286/step Wall: 4098.3, 0.00323286/step, 3.3223 hours remaining, 238.734375 MB of memory in use. ENERGY: 1300400 3979.2436 20522.0021 14438.9392 250.8639 -203685.9722 2868.6049 0.0000 0.0000 52160.1061 -109466.2125 299.7648 -161626.3186 -109089.0167 299.4505 53.7318 76.4118 760734.8596 -5.1048 -5.0385 PRESSURE: 1300600 -49.5738 48.1451 275.152 48.1454 -228.985 96.0503 275.152 96.0499 -175.188 GPRESSURE: 1300600 -11.1873 102.503 107.17 81.8207 -177.365 33.432 247.295 40.1137 -178.786 PRESSAVG: 1300600 -40.9795 14.6106 -3.81188 14.6106 61.893 -28.9461 -3.81191 -28.9461 21.1746 GPRESSAVG: 1300600 -41.0024 14.0861 -3.6476 15.8886 62.8555 -30.4 -3.81353 -29.3485 20.7749 TIMING: 1300600 CPU: 4098.93, 0.00314624/step Wall: 4098.93, 0.00314624/step, 3.23311 hours remaining, 238.734375 MB of memory in use. ENERGY: 1300600 3976.3255 20639.8186 14478.8165 252.9362 -203282.2336 2339.3838 0.0000 0.0000 51880.0452 -109714.9077 298.1553 -161594.9529 -109361.0033 299.3564 -151.2492 -122.4458 760230.8399 14.0294 14.2093 PRESSURE: 1300800 -31.762 -100.889 -177.479 -100.889 466.878 -24.8622 -177.48 -24.8619 357.869 GPRESSURE: 1300800 42.2651 -73.8474 -164.484 -43.8802 425.372 -72.9931 -135.253 -129.548 401.026 PRESSAVG: 1300800 20.8178 54.6786 -40.1853 54.6785 5.76027 -56.8982 -40.1852 -56.8983 -13.5667 GPRESSAVG: 1300800 22.0748 54.416 -42.1152 54.8912 6.22183 -55.6668 -38.1798 -55.609 -15.1434 TIMING: 1300800 CPU: 4099.56, 0.00315729/step Wall: 4099.56, 0.00315729/step, 3.24429 hours remaining, 238.734375 MB of memory in use. ENERGY: 1300800 3876.3375 20501.5946 14539.2422 254.3162 -203962.9952 2896.8768 0.0000 0.0000 52196.8502 -109697.7777 299.9760 -161894.6279 -109332.7085 299.0566 264.3284 289.5544 758354.8822 4.3371 4.3844 PRESSURE: 1301000 -51.5561 221.699 -126.274 221.699 220.371 -162.392 -126.275 -162.393 0.0112074 GPRESSURE: 1301000 92.9611 259.613 -146.688 62.8406 181.524 -148.459 -229.368 -248.244 -17.6155 PRESSAVG: 1301000 -0.22546 29.1996 -72.9309 29.1996 -49.1348 26.3193 -72.9309 26.3192 6.28525 GPRESSAVG: 1301000 -0.426418 30.6221 -73.7225 28.0101 -48.6163 26.5757 -74.162 25.7477 6.34594 TIMING: 1301000 CPU: 4100.19, 0.00315083/step Wall: 4100.19, 0.00315083/step, 3.23748 hours remaining, 238.734375 MB of memory in use. ENERGY: 1301000 4065.5734 20607.7265 14441.3429 243.7985 -203828.9749 2792.0503 0.0000 0.0000 52135.8190 -109542.6644 299.6253 -161678.4833 -109188.4937 299.3025 56.2754 85.6231 762177.1156 -14.3583 -14.2323 PRESSURE: 1301200 47.4936 56.8275 205.644 56.8282 153.262 158.965 205.644 158.966 28.9845 GPRESSURE: 1301200 143.32 37.3366 121.355 206.076 152.916 86.7767 135.817 152.37 29.4697 PRESSAVG: 1301200 2.37875 -28.5086 31.8846 -28.5086 -66.387 -0.452723 31.8845 -0.452649 12.6182 GPRESSAVG: 1301200 1.9018 -28.9658 33.3813 -27.8254 -66.3659 -0.713344 32.0716 0.147134 13.1249 TIMING: 1301200 CPU: 4100.82, 0.0031584/step Wall: 4100.82, 0.0031584/step, 3.24508 hours remaining, 238.734375 MB of memory in use. ENERGY: 1301200 3973.8256 20510.1210 14456.0972 265.5588 -203462.5184 2595.0715 0.0000 0.0000 52210.4424 -109451.4020 300.0541 -161661.8443 -109086.9840 299.1480 76.5799 108.5686 762735.0823 -17.1300 -17.1131 PRESSURE: 1301400 143.271 106.658 273.623 106.659 10.2676 27.5052 273.623 27.5041 471.067 GPRESSURE: 1301400 273.502 144.401 328.237 25.4968 18.046 130.507 225.311 -83.8025 418.503 PRESSAVG: 1301400 -1.35468 25.4505 84.6039 25.4505 -9.2823 -16.9367 84.6039 -16.9367 14.4022 GPRESSAVG: 1301400 -3.37406 23.966 85.7099 25.8303 -8.97687 -17.9277 85.6493 -15.307 16.4836 TIMING: 1301400 CPU: 4101.46, 0.00317081/step Wall: 4101.46, 0.00317081/step, 3.25765 hours remaining, 238.734375 MB of memory in use. ENERGY: 1301400 3939.2542 20661.2714 14511.5289 238.5369 -203728.6231 2897.8533 0.0000 0.0000 51996.6584 -109483.5201 298.8255 -161480.1784 -109115.1432 299.2122 208.2019 236.6839 760305.7763 1.2551 1.3776 PRESSURE: 1301600 181.4 -113.932 92.2633 -113.932 -132.786 16.0711 92.2628 16.0716 104.596 GPRESSURE: 1301600 160.54 -115.888 127.299 -191.425 -63.7828 2.08589 71.0331 34.9036 132.066 PRESSAVG: 1301600 35.8206 -16.5278 17.3998 -16.5278 1.85888 9.03547 17.3998 9.03543 4.21285 GPRESSAVG: 1301600 37.8686 -17.6159 16.3798 -17.8777 2.23894 11.9304 15.2437 5.88717 1.93552 TIMING: 1301600 CPU: 4102.09, 0.00317983/step Wall: 4102.09, 0.00317983/step, 3.26675 hours remaining, 238.734375 MB of memory in use. ENERGY: 1301600 3973.0350 20600.0052 14541.9683 271.9580 -203315.5419 2605.9189 0.0000 0.0000 52021.7166 -109300.9400 298.9695 -161322.6566 -108943.1170 299.8404 51.0702 76.2747 761486.5004 13.9641 14.0144 PRESSURE: 1301800 -193.054 -134.823 -111.506 -134.823 95.2233 126.825 -111.506 126.826 -528.933 GPRESSURE: 1301800 -117.8 -118.928 -69.2659 -90.0847 76.2298 146.46 -107.075 76.8385 -511.384 PRESSAVG: 1301800 -22.3489 -40.4082 6.69161 -40.4082 15.6743 29.0275 6.69162 29.0276 -0.153201 GPRESSAVG: 1301800 -22.3906 -38.6783 7.46143 -39.9556 15.096 27.671 8.36977 28.6476 0.20158 TIMING: 1301800 CPU: 4102.73, 0.00315849/step Wall: 4102.73, 0.00315849/step, 3.24464 hours remaining, 238.734375 MB of memory in use. ENERGY: 1301800 4027.0428 20402.2607 14478.2318 254.5975 -202922.7414 2245.5273 0.0000 0.0000 52148.1007 -109366.9807 299.6959 -161515.0814 -108997.2407 299.8777 -208.9212 -184.3180 761047.1139 -2.2759 -2.3643 PRESSURE: 1302000 9.18931 -128.194 -17.49 -128.193 -94.4751 211.437 -17.49 211.439 -447.349 GPRESSURE: 1302000 -45.9815 -204.571 32.4387 -52.5295 -12.1223 232.631 -5.96136 214.211 -396.126 PRESSAVG: 1302000 -66.3757 -8.82167 -5.04603 -8.82163 43.0241 -28.5371 -5.04603 -28.5372 -4.07835 GPRESSAVG: 1302000 -67.8751 -9.52713 -6.26701 -7.53984 44.3872 -29.7542 -4.38436 -27.7773 -3.81702 TIMING: 1302000 CPU: 4103.36, 0.00314948/step Wall: 4103.36, 0.00314948/step, 3.23522 hours remaining, 238.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1302000 3963.0419 20539.8554 14545.6341 245.0426 -202825.6305 2191.7945 0.0000 0.0000 52100.5115 -109239.7504 299.4224 -161340.2619 -108871.3239 299.7083 -177.5449 -151.4100 761154.7908 -9.1433 -9.1017 PRESSURE: 1302200 303.654 77.9989 171.892 77.9984 116.67 -276.041 171.892 -276.041 202.127 GPRESSURE: 1302200 334.933 138.955 120.279 159.398 124.372 -227.501 3.13717 -256.832 254.165 PRESSAVG: 1302200 16.9107 7.30358 -8.88447 7.30365 -55.7083 -15.6993 -8.88445 -15.6993 14.5057 GPRESSAVG: 1302200 18.0557 6.59522 -8.29372 6.99881 -56.1563 -15.2126 -11.1231 -14.0612 13.8399 TIMING: 1302200 CPU: 4103.99, 0.00315066/step Wall: 4103.99, 0.00315066/step, 3.23625 hours remaining, 238.734375 MB of memory in use. ENERGY: 1302200 3895.0909 20584.6191 14531.8298 271.7754 -203242.1828 2675.6866 0.0000 0.0000 52196.0694 -109087.1116 299.9715 -161283.1810 -108721.9970 299.4812 207.4833 237.8233 761423.9936 -8.0973 -8.0869 PRESSURE: 1302400 -11.3988 -124.327 -271.02 -124.326 86.7241 -67.0874 -271.02 -67.0873 308.5 GPRESSURE: 1302400 -5.13233 -163.189 -290.2 -158.985 111.06 -31.7658 -165.51 -202.194 357.563 PRESSAVG: 1302400 -65.1662 -15.015 -16.056 -15.015 25.2504 -25.0281 -16.0559 -25.028 17.1032 GPRESSAVG: 1302400 -64.5846 -15.2148 -16.089 -17.3682 23.79 -25.3043 -14.9906 -26.6279 17.7912 TIMING: 1302400 CPU: 4104.62, 0.00315071/step Wall: 4104.62, 0.00315071/step, 3.23613 hours remaining, 238.734375 MB of memory in use. ENERGY: 1302400 3889.2184 20419.2326 14585.9084 272.3714 -203463.8296 2898.8833 0.0000 0.0000 52248.5317 -109149.6838 300.2730 -161398.2155 -108781.6278 300.0225 127.9419 154.4970 760606.1715 -7.6042 -7.6678 PRESSURE: 1302600 -126.21 85.4981 4.12314 85.498 64.0737 140.631 4.12392 140.631 -400.614 GPRESSURE: 1302600 -87.5124 73.1937 66.6551 -29.1576 94.3283 96.8107 62.1214 176.098 -365.979 PRESSAVG: 1302600 -20.1034 17.3767 37.2811 17.3768 31.4779 22.6375 37.2811 22.6375 -45.1425 GPRESSAVG: 1302600 -19.6684 17.0409 36.5258 17.5312 30.5492 21.5689 36.3448 22.2029 -43.7812 TIMING: 1302600 CPU: 4105.25, 0.00315503/step Wall: 4105.25, 0.00315503/step, 3.24039 hours remaining, 238.734375 MB of memory in use. ENERGY: 1302600 4075.8837 20474.0068 14519.3864 236.2263 -202868.3127 2274.6238 0.0000 0.0000 52182.9479 -109105.2378 299.8961 -161288.1857 -108745.4558 299.8392 -154.2503 -119.7209 761969.2135 -11.2560 -10.9668 PRESSURE: 1302800 152.329 0.729465 273.676 0.730428 -168.399 121.647 273.677 121.646 -128.884 GPRESSURE: 1302800 171.726 27.4947 194.985 70.8261 -91.4275 194.371 275.085 74.9688 -134.006 PRESSAVG: 1302800 51.0375 -10.4045 16.9461 -10.4045 -52.4884 10.4452 16.946 10.4452 -19.9974 GPRESSAVG: 1302800 48.666 -11.0174 17.8717 -10.057 -49.8775 11.9015 16.2251 11.1756 -20.3125 TIMING: 1302800 CPU: 4105.88, 0.00314224/step Wall: 4105.88, 0.00314224/step, 3.22708 hours remaining, 238.734375 MB of memory in use. ENERGY: 1302800 3996.7660 20623.0722 14480.3595 244.9661 -202958.8020 2389.6714 0.0000 0.0000 52262.2170 -108961.7499 300.3517 -161223.9668 -108595.3388 299.9885 -48.3181 -17.9024 760549.5101 -7.1494 -7.1747 PRESSURE: 1303000 -320.916 -69.5671 20.9397 -69.5669 -16.8127 -97.1939 20.9394 -97.1945 -5.65965 GPRESSURE: 1303000 -282.141 -33.0238 17.9035 22.9114 18.0285 -68.0165 85.3486 -78.439 -11.5162 PRESSAVG: 1303000 16.3314 -35.5273 -23.849 -35.5273 -32.7308 -7.84997 -23.849 -7.84997 20.8231 GPRESSAVG: 1303000 17.4782 -34.9783 -24.4019 -32.7349 -32.7509 -7.00779 -22.4445 -9.29415 19.7728 TIMING: 1303000 CPU: 4106.5, 0.00313851/step Wall: 4106.5, 0.00313851/step, 3.22308 hours remaining, 238.734375 MB of memory in use. ENERGY: 1303000 3990.3845 20688.6424 14582.0686 248.3569 -202682.7886 2141.5514 0.0000 0.0000 52155.1831 -108876.6018 299.7366 -161031.7849 -108516.7087 300.3998 -114.4628 -91.8762 761426.4830 1.4746 1.5000 PRESSURE: 1303200 -125.683 113.258 -107.789 113.258 -659.998 -60.6723 -107.789 -60.6727 -451.946 GPRESSURE: 1303200 -210.34 58.3158 -152.236 31.2473 -578.574 -16.0871 -63.1724 -14.832 -367.304 PRESSAVG: 1303200 -15.6978 -14.2324 22.519 -14.2325 -6.48157 -20.6631 22.519 -20.6631 -5.4477 GPRESSAVG: 1303200 -14.3884 -11.7843 24.7591 -18.823 -7.25305 -21.8458 23.0892 -18.0457 -5.25932 TIMING: 1303200 CPU: 4107.13, 0.00315086/step Wall: 4107.13, 0.00315086/step, 3.23559 hours remaining, 238.734375 MB of memory in use. ENERGY: 1303200 4063.1112 20529.3030 14563.7730 248.6088 -202887.8487 2345.9673 0.0000 0.0000 52059.7345 -109077.3509 299.1880 -161137.0854 -108711.2863 300.3524 -412.5424 -385.4060 762550.8237 -9.2090 -8.9669 PRESSURE: 1303400 181.119 -216.321 100.376 -216.321 -193.071 156.217 100.376 156.218 -84.2006 GPRESSURE: 1303400 95.8247 -118.103 100.396 -26.7663 -77.2753 182.286 -45.3131 7.47249 -35.9289 PRESSAVG: 1303400 43.6127 -50.9814 6.47257 -50.9814 -7.42235 -12.3472 6.47251 -12.3472 -8.58273 GPRESSAVG: 1303400 43.2408 -52.8967 6.26708 -46.8409 -7.61344 -11.312 3.71748 -13.3453 -7.88071 TIMING: 1303400 CPU: 4107.76, 0.00315134/step Wall: 4107.76, 0.00315134/step, 3.2359 hours remaining, 238.734375 MB of memory in use. ENERGY: 1303400 3923.7639 20344.1701 14425.3031 263.6935 -202988.9501 2454.3207 0.0000 0.0000 52237.4616 -109340.2372 300.2094 -161577.6988 -108965.5368 300.1892 -32.0506 -5.7932 761455.8478 9.2025 9.2489 PRESSURE: 1303600 56.272 173.302 -126.85 173.301 -188.35 -38.9041 -126.85 -38.904 -137.734 GPRESSURE: 1303600 17.4663 82.6782 -81.2329 125.571 -89.5047 -74.6726 -282.454 -95.8609 -108.68 PRESSAVG: 1303600 -41.4446 -17.8548 -0.282434 -17.8548 44.4485 39.1174 -0.282429 39.1175 -7.60811 GPRESSAVG: 1303600 -43.1401 -17.2308 -2.17545 -18.9012 45.6503 36.9811 2.00414 41.7353 -7.44202 TIMING: 1303600 CPU: 4108.39, 0.00314883/step Wall: 4108.39, 0.00314883/step, 3.23315 hours remaining, 238.734375 MB of memory in use. ENERGY: 1303600 4074.4716 20404.4883 14488.2631 255.8282 -203550.6988 2855.7910 0.0000 0.0000 52062.2627 -109409.5938 299.2025 -161471.8565 -109052.2906 299.7377 -89.9375 -60.2393 762973.1409 -1.5347 -1.6439 PRESSURE: 1303800 58.1471 -40.6935 -185.887 -40.6933 118.131 36.9149 -185.887 36.9158 -92.1648 GPRESSURE: 1303800 103.527 -137.93 -233.87 -140.979 116.63 82.2822 -205.122 47.8464 -62.342 PRESSAVG: 1303800 -50.8401 -2.15267 -15.5778 -2.15264 74.5686 10.662 -15.5778 10.662 -11.0106 GPRESSAVG: 1303800 -49.928 -2.28942 -15.5174 -1.76198 71.9483 12.6387 -16.1127 7.30259 -9.63287 TIMING: 1303800 CPU: 4109.02, 0.00315289/step Wall: 4109.02, 0.00315289/step, 3.23714 hours remaining, 238.734375 MB of memory in use. ENERGY: 1303800 3989.3303 20425.0139 14466.5128 231.0095 -203121.3351 2568.4506 0.0000 0.0000 52028.9936 -109412.0243 299.0113 -161441.0179 -109057.1060 298.9030 28.0378 52.6050 761793.9620 4.2393 4.1292 PRESSURE: 1304000 16.4097 -203.268 -57.3443 -203.269 -53.7506 1.3049 -57.3438 1.30595 148.473 GPRESSURE: 1304000 57.3372 -137.747 -102.25 -367.712 42.0891 15.8153 131.148 -16.4738 72.3169 PRESSAVG: 1304000 29.1341 -37.4067 13.0779 -37.4066 1.35586 65.5503 13.0778 65.5502 13.0243 GPRESSAVG: 1304000 27.9017 -37.0438 13.4797 -37.366 4.14388 64.9704 12.7959 68.1385 11.2473 TIMING: 1304000 CPU: 4109.65, 0.00314399/step Wall: 4109.65, 0.00314399/step, 3.22783 hours remaining, 238.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1304000 3896.9296 20505.9271 14593.9942 249.4862 -203413.9178 2685.3978 0.0000 0.0000 52181.9465 -109300.2364 299.8904 -161482.1829 -108944.1757 299.2526 37.0440 57.2477 760077.1104 14.5048 14.4309 PRESSURE: 1304200 -121.093 -221.109 31.8057 -221.109 -127.059 118.625 31.8057 118.625 431.619 GPRESSURE: 1304200 -78.4351 -134.577 -19.0913 -151.894 -74.0581 140.834 -17.5927 40.3686 408.289 PRESSAVG: 1304200 24.3083 -54.3669 -33.5769 -54.3669 8.08785 -29.2116 -33.577 -29.2116 -12.4366 GPRESSAVG: 1304200 24.984 -53.1648 -35.5375 -56.5434 7.37736 -29.7536 -31.2163 -30.0219 -12.192 TIMING: 1304200 CPU: 4110.28, 0.0031366/step Wall: 4110.28, 0.0031366/step, 3.22007 hours remaining, 238.734375 MB of memory in use. ENERGY: 1304200 3890.5598 20608.9981 14613.0472 242.1819 -203189.9633 2660.7175 0.0000 0.0000 51892.7592 -109281.6996 298.2284 -161174.4588 -108922.6200 299.2217 61.1557 85.2652 761398.1942 6.6532 6.7231 LDB: ============= START OF LOAD BALANCING ============== 4122.68 LDB: ============== END OF LOAD BALANCING =============== 4122.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4122.68 LDB: ============= START OF LOAD BALANCING ============== 4123 LDB: Largest compute 7077 load 0.032730 is 16.7% of average load 0.195894 LDB: Average compute 0.004400 is 2.2% of average load 0.195894 LDB: TIME 4123 LOAD: AVG 0.195894 MAX 0.219679 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.812 MB LDB: TIME 4123 LOAD: AVG 0.195894 MAX 0.219679 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.812 MB LDB: TIME 4123 LOAD: AVG 0.195894 MAX 0.213009 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.812 MB LDB: ============== END OF LOAD BALANCING =============== 4123 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4123.01 PRESSURE: 1304400 -25.8971 10.1781 23.5973 10.1764 -112.901 -83.7846 23.5969 -83.7842 -196.879 GPRESSURE: 1304400 26.0132 -50.3075 18.3877 -14.7311 -181.397 -46.4616 1.40263 -72.906 -96.9997 PRESSAVG: 1304400 -32.2853 15.8537 -7.91398 15.8536 -3.26763 -50.438 -7.91395 -50.438 7.30466 GPRESSAVG: 1304400 -31.5687 17.2681 -5.77986 17.194 -3.53721 -50.965 -11.4124 -49.1175 6.19624 TIMING: 1304400 CPU: 4110.92, 0.00322076/step Wall: 4110.92, 0.00322076/step, 3.30629 hours remaining, 238.605469 MB of memory in use. ENERGY: 1304400 4042.3954 20387.1898 14563.3199 259.6157 -203459.6940 2708.0270 0.0000 0.0000 52102.2475 -109396.8986 299.4323 -161499.1462 -109037.1260 299.6606 -111.8924 -84.1280 761532.7182 -9.4161 -9.6366 PRESSURE: 1304600 49.7211 46.3103 -59.1245 46.3095 -203.514 289.912 -59.1247 289.913 276.367 GPRESSURE: 1304600 20.3117 -73.3437 -122.84 -14.6258 -72.9878 346.6 -22.2328 273.772 236.285 PRESSAVG: 1304600 -45.1024 26.6945 21.5502 26.6946 60.5726 -14.4693 21.5502 -14.4694 -22.0798 GPRESSAVG: 1304600 -46.1816 23.9959 19.7786 25.5893 60.5663 -14.3645 25.1939 -15.8294 -21.0389 TIMING: 1304600 CPU: 4111.55, 0.00315081/step Wall: 4111.55, 0.00315081/step, 3.23431 hours remaining, 238.605469 MB of memory in use. ENERGY: 1304600 4035.9199 20417.0751 14500.4513 246.9458 -202932.5039 2342.7263 0.0000 0.0000 52146.8640 -109242.5215 299.6887 -161389.3855 -108875.7918 299.1726 40.8580 61.2028 762351.2204 -2.2032 -2.2181 PRESSURE: 1304800 -220.889 -12.3676 -72.432 -12.3674 -76.7522 -71.5569 -72.4321 -71.5561 -148.869 GPRESSURE: 1304800 -215.014 103.057 -81.9478 -35.0533 4.66137 -2.50062 -86.8009 -171.059 -153.478 PRESSAVG: 1304800 -13.0066 -34.5345 5.72342 -34.5345 -14.1214 -4.2125 5.72338 -4.2125 -3.36091 GPRESSAVG: 1304800 -13.3382 -32.8732 6.05383 -34.0746 -14.1966 -2.5454 3.7933 -5.24095 -2.9936 TIMING: 1304800 CPU: 4112.19, 0.00315523/step Wall: 4112.19, 0.00315523/step, 3.23867 hours remaining, 238.605469 MB of memory in use. ENERGY: 1304800 3989.7093 20388.5170 14479.2386 258.7418 -203077.4828 2508.7205 0.0000 0.0000 52188.5990 -109263.9567 299.9286 -161452.5556 -108901.5079 298.9798 -148.8368 -121.2770 762852.2525 -10.1630 -10.1761 PRESSURE: 1305000 84.0513 14.7387 66.1185 14.7391 -127.326 23.4752 66.1185 23.4762 -293.336 GPRESSURE: 1305000 106.789 94.9304 114.398 179.976 -41.7791 -26.452 118.961 91.2393 -303.553 PRESSAVG: 1305000 -20.5005 0.622205 24.2095 0.622143 4.50366 33.9703 24.2094 33.9703 -2.63101 GPRESSAVG: 1305000 -20.6635 -0.432974 25.0391 1.929 5.12578 33.7572 25.3643 34.0689 -2.66092 TIMING: 1305000 CPU: 4112.81, 0.00313431/step Wall: 4112.81, 0.00313431/step, 3.21702 hours remaining, 238.605469 MB of memory in use. ENERGY: 1305000 3957.6163 20461.6505 14447.5815 259.6564 -203075.4025 2536.0482 0.0000 0.0000 52279.7154 -109133.1342 300.4522 -161412.8496 -108769.1141 299.2005 -112.2037 -79.5145 762906.9652 -6.2093 -6.0662 PRESSURE: 1305200 69.3327 -209.427 85.2246 -209.427 142.859 -109.612 85.2252 -109.612 93.6249 GPRESSURE: 1305200 70.9212 -197.546 73.7162 -255.209 210.173 -126.903 84.5833 11.6281 94.0658 PRESSAVG: 1305200 -2.15514 -23.3507 16.2497 -23.3506 -10.6234 -18.56 16.2497 -18.56 -2.39298 GPRESSAVG: 1305200 -2.08471 -22.7253 15.7288 -25.0664 -10.2551 -19.7208 15.1043 -18.2892 -2.67 TIMING: 1305200 CPU: 4113.44, 0.00315729/step Wall: 4113.44, 0.00315729/step, 3.24043 hours remaining, 238.605469 MB of memory in use. ENERGY: 1305200 3914.0851 20480.1280 14470.9402 224.1818 -203317.7655 2577.5953 0.0000 0.0000 52107.4261 -109543.4090 299.4621 -161650.8351 -109189.7981 299.2807 101.9388 125.0533 763124.3397 -5.0572 -5.0033 PRESSURE: 1305400 -12.8034 -95.226 -134.849 -95.2258 222.277 -242.946 -134.849 -242.945 143.133 GPRESSURE: 1305400 -0.0228436 -141.891 -207.356 -83.4873 234.209 -304.186 -25.2117 -130.854 194.05 PRESSAVG: 1305400 -27.3649 -47.5458 -22.7387 -47.5457 40.3307 -70.9158 -22.7387 -70.9159 8.36837 GPRESSAVG: 1305400 -26.6957 -48.8626 -23.4658 -46.5696 38.9174 -71.4871 -22.3515 -69.6534 8.70203 TIMING: 1305400 CPU: 4114.07, 0.00314683/step Wall: 4114.07, 0.00314683/step, 3.22952 hours remaining, 238.605469 MB of memory in use. ENERGY: 1305400 3897.5347 20456.7213 14498.7709 243.2500 -203449.9948 2813.9289 0.0000 0.0000 51807.5289 -109732.2602 297.7386 -161539.7890 -109372.0190 298.7086 117.5355 142.7454 761334.9206 7.1114 6.9746 PRESSURE: 1305600 -166.383 64.7075 -41.7185 64.7072 -85.899 79.281 -41.7181 79.2811 -234.581 GPRESSURE: 1305600 -103.197 29.6296 -81.2947 -60.9994 -130.102 115.622 -80.9488 9.71192 -194.854 PRESSAVG: 1305600 -3.88096 -53.6461 5.05542 -53.6461 42.6836 -56.7333 5.05546 -56.7333 -11.5091 GPRESSAVG: 1305600 -4.06736 -52.0055 4.95372 -53.5631 42.7787 -55.7433 3.87872 -57.9842 -11.8368 TIMING: 1305600 CPU: 4114.7, 0.00315145/step Wall: 4114.7, 0.00315145/step, 3.23409 hours remaining, 238.605469 MB of memory in use. ENERGY: 1305600 3926.7078 20530.7465 14489.2203 258.3571 -202943.0615 2127.1433 0.0000 0.0000 51976.5047 -109634.3819 298.7097 -161610.8866 -109274.4525 298.3946 -162.2879 -142.7175 763267.3911 9.0978 8.9582 PRESSURE: 1305800 -50.0612 391.561 471.855 391.561 -74.0684 101.54 471.856 101.541 16.1673 GPRESSURE: 1305800 75.7554 250.688 411.615 328.887 -158.742 10.5224 355.012 57.6088 76.2946 PRESSAVG: 1305800 3.87893 13.7273 45.3363 13.7274 -12.9903 13.7647 45.3364 13.7646 -9.08128 GPRESSAVG: 1305800 4.2772 11.003 44.1485 13.5915 -12.6126 13.683 46.1503 13.0259 -9.63902 TIMING: 1305800 CPU: 4115.33, 0.00314074/step Wall: 4115.33, 0.00314074/step, 3.22292 hours remaining, 238.605469 MB of memory in use. ENERGY: 1305800 4006.2896 20600.8371 14509.7250 230.9440 -203971.5610 2896.3371 0.0000 0.0000 51985.7784 -109741.6498 298.7630 -161727.4282 -109381.4109 298.7436 -35.9874 -2.2306 760147.4248 -6.0642 -5.9915 PRESSURE: 1306000 -76.3778 -46.8087 -30.1601 -46.8088 48.5128 -199.149 -30.1609 -199.149 -76.7777 GPRESSURE: 1306000 -63.105 -139.392 -28.2168 -6.60602 41.8237 -127.724 -28.248 -234.452 7.82298 PRESSAVG: 1306000 -54.5727 -10.1072 54.9065 -10.1071 44.7192 -45.2354 54.9065 -45.2354 6.86825 GPRESSAVG: 1306000 -53.7976 -6.57005 58.4879 -10.7184 43.2924 -45.3494 53.8783 -44.9171 7.66009 TIMING: 1306000 CPU: 4115.96, 0.00314776/step Wall: 4115.96, 0.00314776/step, 3.22995 hours remaining, 238.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1306000 4019.5716 20622.4515 14495.7006 266.3961 -203829.0683 2778.0189 0.0000 0.0000 51930.1459 -109716.7836 298.4433 -161646.9295 -109374.6625 298.6035 -34.8809 -4.4861 761023.1111 -0.9951 -0.9484 PRESSURE: 1306200 12.5816 69.7288 34.2919 69.7295 -337.673 -164.271 34.2919 -164.27 32.8157 GPRESSURE: 1306200 -16.0906 91.2858 73.0693 98.2745 -248.722 -114.989 41.7373 -110.711 28.1608 PRESSAVG: 1306200 25.4367 2.65678 11.547 2.65678 -69.1692 -59.4564 11.547 -59.4565 -10.7149 GPRESSAVG: 1306200 23.1738 1.93002 11.2229 1.49716 -66.6691 -59.6173 11.1078 -59.7894 -10.905 TIMING: 1306200 CPU: 4116.59, 0.00315016/step Wall: 4116.59, 0.00315016/step, 3.23224 hours remaining, 238.605469 MB of memory in use. ENERGY: 1306200 3946.7227 20548.5725 14381.7680 234.1812 -203369.8740 2424.1107 0.0000 0.0000 51959.1134 -109875.4054 298.6097 -161834.5188 -109509.4157 299.2441 -97.4251 -78.8838 761379.2535 -18.1491 -18.1334 PRESSURE: 1306400 -273.986 -164.448 -281.367 -164.447 36.138 -99.7944 -281.367 -99.7941 -169.457 GPRESSURE: 1306400 -241.48 -0.892875 -197.561 -155.736 48.7253 -66.7915 -240.83 -0.602127 -142.172 PRESSAVG: 1306400 35.6911 -23.4611 8.80751 -23.4611 -22.1564 -14.2334 8.8075 -14.2334 3.44365 GPRESSAVG: 1306400 36.8501 -24.4337 7.44979 -23.6294 -22.8952 -14.2324 10.6248 -14.6584 3.4159 TIMING: 1306400 CPU: 4117.22, 0.00315671/step Wall: 4117.22, 0.00315671/step, 3.23879 hours remaining, 238.605469 MB of memory in use. ENERGY: 1306400 3994.9041 20520.2610 14501.7074 255.4617 -203659.3750 2674.9428 0.0000 0.0000 51926.4450 -109785.6531 298.4220 -161712.0981 -109418.6839 298.2313 -135.7682 -111.6421 761703.9949 5.6595 5.7903 PRESSURE: 1306600 154.181 -72.0599 139.463 -72.0598 273.168 -120.143 139.463 -120.142 140.704 GPRESSURE: 1306600 205.271 -115.079 80.6183 -95.2616 279.797 -148.399 222.834 -34.0725 187.483 PRESSAVG: 1306600 1.09284 -49.7212 -2.81437 -49.7212 -22.7533 -34.051 -2.81437 -34.0509 8.78101 GPRESSAVG: 1306600 1.9458 -49.0319 -4.31978 -48.5457 -23.1915 -35.1221 -1.69886 -31.7891 8.37805 TIMING: 1306600 CPU: 4117.85, 0.00314084/step Wall: 4117.85, 0.00314084/step, 3.22233 hours remaining, 238.605469 MB of memory in use. ENERGY: 1306600 3971.6505 20540.3593 14430.9743 268.8198 -203652.1100 2642.0574 0.0000 0.0000 51880.0820 -109918.1667 298.1555 -161798.2487 -109559.4823 297.6189 189.3511 224.1835 762422.4814 -4.2931 -4.2892 PRESSURE: 1306800 -18.5203 -178.187 -31.3277 -178.187 310.878 -150.87 -31.3286 -150.87 -252.06 GPRESSURE: 1306800 72.0357 -108.942 -25.2981 -98.8509 257.744 -146.57 -84.9563 -129.073 -199.324 PRESSAVG: 1306800 0.370187 -20.3753 34.6898 -20.3753 14.2932 -29.1874 34.6898 -29.1875 -17.6285 GPRESSAVG: 1306800 -0.507786 -20.669 36.1499 -19.4065 14.7609 -29.4055 32.2171 -29.6249 -17.3288 TIMING: 1306800 CPU: 4118.48, 0.00313842/step Wall: 4118.48, 0.00313842/step, 3.21967 hours remaining, 238.605469 MB of memory in use. ENERGY: 1306800 3973.6209 20599.7676 14424.2458 259.2624 -203964.3324 3153.6453 0.0000 0.0000 51915.7676 -109638.0229 298.3606 -161553.7905 -109278.9451 298.3684 13.4327 43.4853 762556.0198 -0.9884 -1.0252 PRESSURE: 1307000 -183.641 -174.306 54.6626 -174.306 -204.016 -155.921 54.6621 -155.922 -33.7414 GPRESSURE: 1307000 -115.368 -183.464 50.5318 -190.082 -123.343 -189.85 0.520378 -103.685 -98.7351 PRESSAVG: 1307000 -0.908143 -6.92563 17.1437 -6.92561 3.22768 -29.0193 17.1437 -29.0193 3.70181 GPRESSAVG: 1307000 1.04576 -8.2549 18.3269 -6.14553 2.12409 -28.4555 15.2084 -28.7573 2.38076 TIMING: 1307000 CPU: 4119.11, 0.00314757/step Wall: 4119.11, 0.00314757/step, 3.22888 hours remaining, 238.605469 MB of memory in use. ENERGY: 1307000 4015.7125 20387.5096 14501.7184 252.5157 -203541.3936 2615.8560 0.0000 0.0000 52095.7506 -109672.3307 299.3950 -161768.0814 -109305.0679 299.1031 -140.4662 -112.4821 762247.6041 2.0071 1.8502 PRESSURE: 1307200 -257.835 -10.7193 102.291 -10.7186 69.9551 -38.9469 102.292 -38.9469 -322.149 GPRESSURE: 1307200 -218.351 106.306 83.1885 -30.7273 18.8359 77.0749 69.4576 -122.776 -221.141 PRESSAVG: 1307200 37.9276 -42.6625 -21.256 -42.6625 -56.3227 22.183 -21.2561 22.183 -1.39281 GPRESSAVG: 1307200 35.9152 -41.5402 -21.4257 -43.3307 -56.2986 22.5432 -19.0567 20.1853 0.373346 TIMING: 1307200 CPU: 4119.74, 0.0031439/step Wall: 4119.74, 0.0031439/step, 3.22494 hours remaining, 238.605469 MB of memory in use. ENERGY: 1307200 4049.8585 20375.6070 14534.7225 263.0788 -203602.2850 2626.2984 0.0000 0.0000 52070.4681 -109682.2515 299.2497 -161752.7197 -109316.0243 298.7495 -170.0097 -140.2184 761451.0337 -6.5960 -6.6700 PRESSURE: 1307400 156.351 -60.1126 -154.728 -60.1119 158.814 223.25 -154.729 223.251 280.273 GPRESSURE: 1307400 125.281 -88.6837 -209.075 -43.5307 326.365 173.766 -61.5636 180.205 252.566 PRESSAVG: 1307400 25.7934 25.5164 -26.1159 25.5164 -29.5776 -42.0948 -26.1159 -42.0948 -3.41173 GPRESSAVG: 1307400 27.3552 25.4785 -25.2419 25.9113 -29.5845 -43.2114 -27.4417 -41.9086 -4.54199 TIMING: 1307400 CPU: 4120.37, 0.00314747/step Wall: 4120.37, 0.00314747/step, 3.22843 hours remaining, 238.605469 MB of memory in use. ENERGY: 1307400 4013.9892 20627.4495 14451.1850 257.2180 -203382.1365 2617.1546 0.0000 0.0000 51741.0327 -109674.1076 297.3564 -161415.1403 -109326.8134 298.5073 198.4793 234.7377 761044.8822 -2.3986 -2.2571 PRESSURE: 1307600 375.391 -196.558 74.9157 -196.558 466.913 -97.9353 74.9149 -97.936 37.7791 GPRESSURE: 1307600 450.392 -196.683 134.018 -106.117 355.104 -88.7252 82.8339 -77.1939 140.187 PRESSAVG: 1307600 83.9674 -16.1008 38.179 -16.1008 -28.6 19.5877 38.179 19.5878 5.98892 GPRESSAVG: 1307600 81.4691 -15.7057 36.2304 -16.4043 -27.624 18.4726 40.2975 21.9378 6.70266 TIMING: 1307600 CPU: 4120.99, 0.0031316/step Wall: 4120.99, 0.00313161/step, 3.21198 hours remaining, 238.605469 MB of memory in use. ENERGY: 1307600 4016.2986 20593.8042 14489.1240 244.8776 -203878.0060 2833.5846 0.0000 0.0000 51889.5812 -109810.7358 298.2101 -161700.3170 -109467.7094 298.8621 293.3612 315.2278 759909.1528 20.4521 20.1826 PRESSURE: 1307800 -366.901 93.2155 107.384 93.2157 -25.9543 33.3073 107.383 33.3078 243.493 GPRESSURE: 1307800 -307.796 157.379 110.94 -30.4423 61.0377 -49.6176 -60.0815 98.1888 170.582 PRESSAVG: 1307800 -4.13422 -29.7898 19.4666 -29.7899 -6.63314 -1.41094 19.4666 -1.41094 16.3096 GPRESSAVG: 1307800 -2.74282 -29.1095 20.906 -30.469 -7.12237 -0.734372 15.9992 -1.9368 14.7183 TIMING: 1307800 CPU: 4121.62, 0.00314389/step Wall: 4121.62, 0.00314389/step, 3.22441 hours remaining, 238.605469 MB of memory in use. ENERGY: 1307800 4019.8162 20600.8822 14485.9847 240.8810 -203041.5786 2346.2673 0.0000 0.0000 51727.0202 -109620.7269 297.2759 -161347.7471 -109268.7786 298.7932 -49.7877 -25.3920 762849.1207 1.8474 1.6177 PRESSURE: 1308000 -88.9366 31.6492 66.34 31.6493 -154.305 -240.384 66.3399 -240.384 -158.821 GPRESSURE: 1308000 9.49142 82.7158 46.4741 26.3174 -138.06 -222.633 23.5705 -82.0646 -178.404 PRESSAVG: 1308000 22.7187 -24.0828 -7.3373 -24.0828 21.9505 -26.1089 -7.33725 -26.1089 -11.7427 GPRESSAVG: 1308000 21.8759 -23.2308 -7.22466 -22.0622 21.777 -24.46 -4.9146 -26.9241 -10.5192 TIMING: 1308000 CPU: 4122.25, 0.00313355/step Wall: 4122.25, 0.00313355/step, 3.21363 hours remaining, 238.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1308000 3983.3872 20405.3271 14484.2953 251.7004 -203325.2327 2647.9347 0.0000 0.0000 51809.2691 -109743.3190 297.7486 -161552.5881 -109384.6769 298.5989 -134.0210 -102.3242 761957.7252 10.9755 11.0446 PRESSURE: 1308200 185.287 71.9851 50.9192 71.9852 65.4117 -23.558 50.9179 -23.5584 125.238 GPRESSURE: 1308200 226.652 -72.2531 57.6849 14.5206 63.0209 49.9179 45.7233 -32.0673 162.626 PRESSAVG: 1308200 23.4353 31.0642 -46.9824 31.0641 -30.5343 5.77809 -46.9823 5.7781 -4.3546 GPRESSAVG: 1308200 24.5753 28.5024 -46.8271 29.943 -30.0776 4.21223 -48.1558 8.28981 -5.38102 TIMING: 1308200 CPU: 4122.87, 0.00312677/step Wall: 4122.87, 0.00312677/step, 3.2065 hours remaining, 238.605469 MB of memory in use. ENERGY: 1308200 3929.4099 20366.0516 14417.0894 232.8865 -203505.8813 2769.9263 0.0000 0.0000 51812.4473 -109978.0703 297.7668 -161790.5176 -109614.6557 298.2863 125.3121 150.7665 762293.9032 -3.8179 -3.6278 LDB: ============= START OF LOAD BALANCING ============== 4135.27 LDB: ============== END OF LOAD BALANCING =============== 4135.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4135.27 LDB: ============= START OF LOAD BALANCING ============== 4135.59 LDB: Largest compute 7078 load 0.032155 is 16.4% of average load 0.195991 LDB: Average compute 0.004373 is 2.2% of average load 0.195991 LDB: TIME 4135.59 LOAD: AVG 0.195991 MAX 0.213511 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.633 MB LDB: TIME 4135.59 LOAD: AVG 0.195991 MAX 0.213511 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.633 MB LDB: TIME 4135.59 LOAD: AVG 0.195991 MAX 0.213511 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.633 MB LDB: ============== END OF LOAD BALANCING =============== 4135.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4135.6 PRESSURE: 1308400 -256.495 9.29272 -13.987 9.29262 -135.334 166.882 -13.9873 166.883 -257.837 GPRESSURE: 1308400 -214.663 11.2902 -35.3535 -94.9269 -130.329 134.568 -71.5437 133.164 -227.925 PRESSAVG: 1308400 9.3091 14.7832 -29.8112 14.7831 -2.90417 53.6237 -29.8112 53.6237 16.8694 GPRESSAVG: 1308400 10.3625 16.3486 -30.4786 13.1533 -4.95863 54.9697 -27.9267 53.1152 17.9612 TIMING: 1308400 CPU: 4123.52, 0.00321388/step Wall: 4123.52, 0.00321388/step, 3.29566 hours remaining, 237.121094 MB of memory in use. ENERGY: 1308400 3921.3413 20442.1130 14474.7327 246.0032 -203051.6734 2245.9600 0.0000 0.0000 51905.5105 -109816.0127 298.3017 -161721.5231 -109467.6090 297.8105 -216.5552 -190.9723 762572.7149 7.7581 7.7884 PRESSURE: 1308600 6.38292 139.957 183.267 139.956 164.734 176.424 183.267 176.423 85.7581 GPRESSURE: 1308600 78.2985 176.916 108.311 198.236 215.971 173.675 238.743 57.7589 53.4646 PRESSAVG: 1308600 44.0815 43.6003 -17.2104 43.6003 -25.7139 4.37032 -17.2105 4.37031 -5.84987 GPRESSAVG: 1308600 43.8051 42.2961 -18.0032 44.3635 -25.1314 3.95494 -18.3656 3.68282 -6.0636 TIMING: 1308600 CPU: 4124.14, 0.00313285/step Wall: 4124.14, 0.00313285/step, 3.21238 hours remaining, 237.121094 MB of memory in use. ENERGY: 1308600 3985.8726 20367.1415 14417.9806 229.7770 -203327.2523 2620.2627 0.0000 0.0000 51982.8375 -109723.3804 298.7461 -161706.2179 -109354.5944 298.8067 85.6249 115.9112 762193.3461 4.1726 4.2033 PRESSURE: 1308800 -353.769 -27.453 -0.737534 -27.4525 -101.653 -86.4699 -0.737874 -86.4704 154.188 GPRESSURE: 1308800 -207.792 -86.0918 0.727976 -33.6838 -138.549 -70.2869 -31.7486 -216.389 141.027 PRESSAVG: 1308800 -29.1738 7.34725 -61.6595 7.34718 4.86479 -26.6108 -61.6594 -26.6108 14.6791 GPRESSAVG: 1308800 -29.4823 8.2802 -61.4617 8.57181 5.6657 -27.7265 -62.1443 -25.4697 14.222 TIMING: 1308800 CPU: 4124.77, 0.00312026/step Wall: 4124.77, 0.00312026/step, 3.19931 hours remaining, 237.121094 MB of memory in use. ENERGY: 1308800 4030.7076 20214.2062 14336.9644 244.6211 -202974.5229 2396.5512 0.0000 0.0000 52117.0345 -109634.4379 299.5173 -161751.4724 -109262.6750 298.9194 -100.4113 -68.4380 761567.1624 -3.2100 -3.1982 PRESSURE: 1309000 -4.8209 72.8889 98.4884 72.8892 -303.349 -162.339 98.4897 -162.339 -398.452 GPRESSURE: 1309000 34.0402 167.238 156.723 57.2092 -239.186 -178.677 2.30021 -221.375 -405.88 PRESSAVG: 1309000 12.7336 11.4338 -2.28803 11.4338 26.8946 16.9017 -2.28801 16.9017 7.16505 GPRESSAVG: 1309000 12.2907 11.8679 -2.57622 10.1179 26.3973 17.7992 0.199705 14.6773 7.92633 TIMING: 1309000 CPU: 4125.39, 0.00313945/step Wall: 4125.39, 0.00313945/step, 3.21881 hours remaining, 237.121094 MB of memory in use. ENERGY: 1309000 3973.6512 20405.9874 14409.6499 231.9770 -203239.1314 2670.0227 0.0000 0.0000 51940.4242 -109607.4188 298.5023 -161547.8430 -109232.1336 299.1203 -235.5408 -203.6753 763301.5424 15.5977 15.5381 PRESSURE: 1309200 -410.981 -76.6166 199.523 -76.6165 -50.8927 140.506 199.524 140.506 -218.758 GPRESSURE: 1309200 -329.086 -143.347 159.995 -100.885 13.8251 81.4165 91.2594 189.287 -292.601 PRESSAVG: 1309200 15.8106 -34.0301 -1.84919 -34.0301 14.6682 -31.7786 -1.84917 -31.7787 -12.4783 GPRESSAVG: 1309200 16.0661 -34.338 -1.65877 -35.5121 14.8329 -30.7492 -2.60899 -31.5358 -13.0907 TIMING: 1309200 CPU: 4126.02, 0.00314852/step Wall: 4126.02, 0.00314852/step, 3.22794 hours remaining, 237.121094 MB of memory in use. ENERGY: 1309200 3979.0960 20335.0482 14432.5706 241.7371 -202859.7375 2331.4599 0.0000 0.0000 52165.1992 -109374.6266 299.7941 -161539.8257 -109007.2538 299.4338 -226.8771 -202.6209 762348.2531 6.0002 5.9361 PRESSURE: 1309400 -346.637 -134.456 -151.19 -134.456 -2.37014 -25.5097 -151.189 -25.5099 -69.2328 GPRESSURE: 1309400 -240.287 -147.529 -175.575 -110.205 -13.3951 37.428 -123.47 -3.59455 -76.6107 PRESSAVG: 1309400 -20.1072 -18.3988 -37.6781 -18.3988 13.8051 -40.7899 -37.6782 -40.79 6.21157 GPRESSAVG: 1309400 -20.5722 -18.491 -38.0673 -17.0025 14.8327 -41.6321 -37.4293 -39.757 6.11263 TIMING: 1309400 CPU: 4126.65, 0.00314005/step Wall: 4126.65, 0.00314005/step, 3.21907 hours remaining, 237.121094 MB of memory in use. ENERGY: 1309400 4047.5291 20362.7355 14465.4644 251.6421 -203344.0286 2507.6390 0.0000 0.0000 52208.3665 -109500.6521 300.0422 -161709.0186 -109137.8563 299.5780 -139.4134 -110.0978 761926.9807 -0.0302 0.1244 PRESSURE: 1309600 -21.5378 -122.783 303.607 -122.784 -118.212 128.303 303.607 128.304 297.637 GPRESSURE: 1309600 -20.1502 -134.244 307.97 -134.587 -20.3728 13.287 187.494 81.8297 261.383 PRESSAVG: 1309600 54.8252 11.4649 30.835 11.465 -32.8341 4.99376 30.8351 4.99375 -0.71568 GPRESSAVG: 1309600 53.791 11.3869 30.4174 11.5725 -33.4244 4.9061 31.0641 3.48044 0.884388 TIMING: 1309600 CPU: 4127.29, 0.00317337/step Wall: 4127.29, 0.00317337/step, 3.25306 hours remaining, 237.121094 MB of memory in use. ENERGY: 1309600 3970.2919 20376.1527 14404.4717 258.3177 -203605.1596 2778.9797 0.0000 0.0000 51974.5296 -109842.4163 298.6983 -161816.9458 -109478.6716 298.4784 52.6292 73.6201 761647.5618 7.0918 7.0836 PRESSURE: 1309800 -54.4687 -127.967 82.9752 -127.966 -66.2179 -6.95022 82.9755 -6.95053 -328.07 GPRESSURE: 1309800 -54.8901 37.4795 98.0439 -143.76 4.33762 -156.3 1.92923 7.36997 -297.126 PRESSAVG: 1309800 67.0414 22.5032 -25.6807 22.5031 -55.732 -19.0966 -25.6807 -19.0966 2.00002 GPRESSAVG: 1309800 67.914 22.8986 -23.9317 23.5145 -56.01 -18.7972 -26.3684 -17.3177 1.2644 TIMING: 1309800 CPU: 4127.92, 0.00314009/step Wall: 4127.92, 0.00314009/step, 3.21876 hours remaining, 237.121094 MB of memory in use. ENERGY: 1309800 3964.1134 20326.9391 14503.8346 243.6514 -203149.5359 2549.9250 0.0000 0.0000 51949.8925 -109611.1799 298.5567 -161561.0724 -109243.7035 298.6445 -149.5855 -115.8928 761955.9462 4.4365 4.3895 PRESSURE: 1310000 -352.158 261.31 163.521 261.31 -94.0381 -71.8332 163.521 -71.8324 -135.07 GPRESSURE: 1310000 -243.4 201.721 147.545 265.588 -120.695 62.5677 44.6187 -81.5175 -132.455 PRESSAVG: 1310000 -1.47796 31.0693 -16.4041 31.0694 -1.59033 41.2147 -16.4041 41.2148 9.72231 GPRESSAVG: 1310000 -0.998712 30.7868 -17.3137 31.0756 -1.64563 42.017 -14.9799 41.2021 9.18968 TIMING: 1310000 CPU: 4128.54, 0.00314054/step Wall: 4128.54, 0.00314054/step, 3.21905 hours remaining, 237.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1310000 4028.1554 20322.7889 14494.3695 267.6018 -203612.7133 2565.5761 0.0000 0.0000 51857.5964 -110076.6253 298.0263 -161934.2218 -109715.1882 298.5144 -193.7553 -165.5164 760914.5248 2.2180 2.1818 PRESSURE: 1310200 -102.338 -71.1773 -140.378 -71.1773 191.681 87.4735 -140.378 87.4746 -50.882 GPRESSURE: 1310200 -96.8186 -105.245 -122.108 9.74707 166.31 126.418 7.00427 -64.3149 43.9731 PRESSAVG: 1310200 -31.4882 24.259 -6.64661 24.259 23.6556 -30.9409 -6.64668 -30.9408 30.4509 GPRESSAVG: 1310200 -31.8595 25.7316 -6.89334 23.3172 23.3325 -32.2435 -7.25164 -32.8432 31.4029 TIMING: 1310200 CPU: 4129.18, 0.00315996/step Wall: 4129.18, 0.00315996/step, 3.23878 hours remaining, 237.121094 MB of memory in use. ENERGY: 1310200 3962.5980 20387.5006 14494.6276 256.5024 -203552.6645 2634.4287 0.0000 0.0000 51912.3356 -109904.6716 298.3409 -161817.0072 -109546.2267 298.3187 12.8203 37.8215 761110.4681 7.5394 7.6253 PRESSURE: 1310400 -245.78 30.4687 221.394 30.4696 109.156 -199.32 221.395 -199.319 68.2904 GPRESSURE: 1310400 -214.185 -21.4866 139.242 102.964 174.049 -196.779 59.4913 -81.8587 80.2911 PRESSAVG: 1310400 -45.5971 -18.8834 6.96936 -18.8834 8.5168 24.5155 6.96935 24.5155 10.9154 GPRESSAVG: 1310400 -45.7767 -20.5514 8.11381 -18.8556 8.84777 24.1262 4.24591 29.4805 10.6719 TIMING: 1310400 CPU: 4129.81, 0.00316777/step Wall: 4129.81, 0.00316777/step, 3.24661 hours remaining, 237.121094 MB of memory in use. ENERGY: 1310400 3992.5584 20364.1697 14475.2827 239.5109 -203416.2003 2659.5661 0.0000 0.0000 52050.7940 -109634.3185 299.1366 -161685.1125 -109280.1317 298.6921 -22.7779 13.3847 762531.8974 -8.7216 -8.7524 PRESSURE: 1310600 437.754 -75.3273 62.3753 -75.3274 74.0279 -39.2679 62.3748 -39.2678 568.211 GPRESSURE: 1310600 426.396 -82.4214 100.551 -106.1 221.23 -82.9401 -32.6857 -55.8456 507.286 PRESSAVG: 1310600 -60.2784 -10.8668 -21.3182 -10.8668 66.2654 -54.5804 -21.3181 -54.5804 2.11418 GPRESSAVG: 1310600 -59.5819 -9.20128 -21.4672 -11.6005 66.3915 -54.0468 -18.159 -57.2449 1.09454 TIMING: 1310600 CPU: 4130.44, 0.00314644/step Wall: 4130.44, 0.00314644/step, 3.22457 hours remaining, 237.121094 MB of memory in use. ENERGY: 1310600 3975.2189 20481.5592 14479.1519 239.6365 -203738.8012 2874.9283 0.0000 0.0000 52200.6010 -109487.7055 299.9976 -161688.3065 -109111.5669 299.7454 359.9977 384.9708 760978.7181 2.7004 2.6347 PRESSURE: 1310800 -21.3795 -69.6415 -203.296 -69.6417 -301.244 -18.5373 -203.297 -18.5373 -192.49 GPRESSURE: 1310800 16.1635 47.5282 -160.511 33.1988 -292.016 36.8283 -266.826 -55.4565 -147.559 PRESSAVG: 1310800 6.03728 40.9916 -46.0991 40.9916 18.9403 -65.2911 -46.099 -65.291 -13.4699 GPRESSAVG: 1310800 5.16956 41.035 -45.6646 39.9751 18.3492 -63.576 -47.6056 -67.1099 -12.5696 TIMING: 1310800 CPU: 4131.07, 0.00316161/step Wall: 4131.07, 0.00316161/step, 3.23995 hours remaining, 237.121094 MB of memory in use. ENERGY: 1310800 4070.0863 20556.6234 14446.3743 253.2842 -203415.0648 2564.9784 0.0000 0.0000 51935.4629 -109588.2552 298.4738 -161523.7181 -109226.0982 299.6697 -171.7048 -141.1371 761708.8330 3.8359 3.6497 PRESSURE: 1311000 -161.051 -65.2296 -247.471 -65.2297 251.391 161.976 -247.472 161.976 -69.8785 GPRESSURE: 1311000 -12.1383 -74.6212 -178.985 -60.6546 191.246 139.624 -254.476 22.83 -72.6908 PRESSAVG: 1311000 14.5374 -9.36132 6.77805 -9.36132 -11.9656 -24.9398 6.77805 -24.9398 -1.54266 GPRESSAVG: 1311000 13.7756 -8.81198 5.64646 -8.78122 -12.1669 -26.1589 8.27814 -22.7202 -1.07457 TIMING: 1311000 CPU: 4131.7, 0.00312689/step Wall: 4131.7, 0.00312689/step, 3.2042 hours remaining, 237.121094 MB of memory in use. ENERGY: 1311000 3997.9027 20534.1061 14518.3605 235.2344 -203604.9556 2786.1383 0.0000 0.0000 51922.9443 -109610.2693 298.4019 -161533.2136 -109261.4758 299.0208 6.8207 35.4725 760674.6202 0.3431 0.1780 PRESSURE: 1311200 -92.0673 -121.649 -226.532 -121.649 -314.828 -141.924 -226.532 -141.925 318.086 GPRESSURE: 1311200 -33.6816 -89.6973 -217.942 -130.006 -236.368 -150.408 -229.891 -90.109 267.825 PRESSAVG: 1311200 -7.50225 -37.7448 -28.7406 -37.7449 5.34376 -4.04615 -28.7405 -4.0462 -10.8576 GPRESSAVG: 1311200 -7.2262 -38.7806 -28.2751 -36.3229 6.05361 -5.57246 -29.4454 -3.4821 -11.9455 TIMING: 1311200 CPU: 4132.32, 0.00312939/step Wall: 4132.32, 0.00312939/step, 3.20658 hours remaining, 237.121094 MB of memory in use. ENERGY: 1311200 3918.2123 20454.8316 14450.3225 224.7840 -203389.8052 2550.6975 0.0000 0.0000 52138.1153 -109652.8420 299.6385 -161790.9573 -109275.9492 298.6609 -29.6032 -0.7413 761717.5650 -4.3387 -4.3727 PRESSURE: 1311400 65.5456 104.868 -53.6216 104.869 329.365 118.026 -53.6217 118.026 320.352 GPRESSURE: 1311400 151.452 74.7943 -36.2594 48.8237 236.491 67.5757 -106.974 83.2957 413.894 PRESSAVG: 1311400 53.1859 38.2177 19.4011 38.2177 -45.3627 -33.7618 19.4012 -33.7617 0.506435 GPRESSAVG: 1311400 54.328 36.0737 19.852 39.3261 -45.9631 -32.2745 18.634 -36.6906 -0.249941 TIMING: 1311400 CPU: 4132.95, 0.00316528/step Wall: 4132.95, 0.00316528/step, 3.24318 hours remaining, 237.121094 MB of memory in use. ENERGY: 1311400 4036.9940 20555.5318 14390.8587 237.7530 -203607.1009 2799.4895 0.0000 0.0000 52133.5693 -109452.9046 299.6123 -161586.4739 -109093.5904 299.4748 238.4210 267.2792 760830.1037 2.7765 2.7050 PRESSURE: 1311600 516.689 -119.281 -191.38 -119.281 -386.05 50.6036 -191.381 50.6023 73.8198 GPRESSURE: 1311600 461.001 -11.624 -210.295 -136.098 -256.969 4.47626 -146.844 138.045 61.7415 PRESSAVG: 1311600 -4.34682 -6.94621 -0.2773 -6.9463 17.6812 -1.2667 -0.277286 -1.26667 3.01302 GPRESSAVG: 1311600 -6.51132 -3.27506 -1.74356 -10.003 17.911 0.0795695 -0.677653 -0.556502 4.45044 TIMING: 1311600 CPU: 4133.59, 0.00316034/step Wall: 4133.59, 0.00316035/step, 3.23795 hours remaining, 237.121094 MB of memory in use. ENERGY: 1311600 3975.0210 20473.7906 14420.5092 243.5251 -203525.2413 2558.9471 0.0000 0.0000 52104.6054 -109748.8429 299.4459 -161853.4483 -109391.9040 299.4742 68.1529 88.5913 760455.4524 5.4491 5.2834 PRESSURE: 1311800 -195.773 -157.712 -46.4625 -157.712 -327.607 122.162 -46.4625 122.162 -291.731 GPRESSURE: 1311800 -205.045 -113.021 -34.1722 -184.55 -297.693 86.3107 -95.713 74.0597 -232.49 PRESSAVG: 1311800 87.354 -11.4732 6.86521 -11.4731 -56.4423 -42.6572 6.86525 -42.6571 1.97027 GPRESSAVG: 1311800 87.9306 -11.3281 9.13782 -9.56505 -56.146 -45.1137 8.31622 -42.3469 1.4968 TIMING: 1311800 CPU: 4134.21, 0.00313832/step Wall: 4134.21, 0.00313832/step, 3.21521 hours remaining, 237.121094 MB of memory in use. ENERGY: 1311800 4013.3983 20601.3974 14403.8933 239.0460 -203081.0061 2255.8374 0.0000 0.0000 51948.5492 -109618.8846 298.5490 -161567.4338 -109259.3952 298.9699 -271.7041 -245.0760 762016.5734 10.9607 11.0938 PRESSURE: 1312000 -281.813 -120.695 4.79886 -120.695 -134.359 -327.985 4.7988 -327.985 200.018 GPRESSURE: 1312000 -249.707 -215.303 13.0923 -28.7479 -40.8729 -364.361 62.7982 -233.131 155.54 PRESSAVG: 1312000 65.0975 -38.3215 -22.7309 -38.3215 -73.9911 -5.39763 -22.7309 -5.3976 -18.9078 GPRESSAVG: 1312000 65.2041 -39.5146 -23.2855 -37.1526 -73.3793 -4.99201 -22.6588 -2.67101 -19.618 TIMING: 1312000 CPU: 4134.85, 0.00316477/step Wall: 4134.85, 0.00316477/step, 3.24213 hours remaining, 237.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1312000 4118.0775 20446.4764 14480.0116 246.1257 -203527.0236 2549.1937 0.0000 0.0000 52092.4685 -109594.6701 299.3761 -161687.1386 -109233.3334 299.3725 -72.0515 -45.0131 760004.7617 -9.2671 -9.2644 PRESSURE: 1312200 -167.209 92.0264 -28.3275 92.0261 -59.2736 -152.287 -28.3276 -152.288 83.59 GPRESSURE: 1312200 -86.9766 128.612 -109.788 38.2747 -131.679 -123.246 -44.106 -220.126 150.609 PRESSAVG: 1312200 -29.1779 -44.654 -18.8537 -44.6541 -16.9591 3.68396 -18.8536 3.68395 11.7411 GPRESSAVG: 1312200 -28.6187 -42.6828 -19.4384 -45.5226 -18.4701 3.37453 -20.5283 3.35927 12.2039 TIMING: 1312200 CPU: 4135.48, 0.00316847/step Wall: 4135.48, 0.00316847/step, 3.24574 hours remaining, 237.121094 MB of memory in use. ENERGY: 1312200 4009.5727 20538.6085 14480.7051 239.0489 -202966.3359 2353.3986 0.0000 0.0000 52007.9336 -109337.0684 298.8903 -161345.0020 -108981.6149 299.2818 -47.6309 -22.6820 761411.3851 -11.4653 -11.6283 LDB: ============= START OF LOAD BALANCING ============== 4147.88 LDB: ============== END OF LOAD BALANCING =============== 4147.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4147.88 LDB: ============= START OF LOAD BALANCING ============== 4148.2 LDB: Largest compute 7077 load 0.032395 is 16.5% of average load 0.196088 LDB: Average compute 0.004384 is 2.2% of average load 0.196088 LDB: TIME 4148.2 LOAD: AVG 0.196088 MAX 0.2151 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.633 MB LDB: TIME 4148.2 LOAD: AVG 0.196088 MAX 0.2151 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: TIME 4148.2 LOAD: AVG 0.196088 MAX 0.2151 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: ============== END OF LOAD BALANCING =============== 4148.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4148.21 PRESSURE: 1312400 -61.9647 106.056 32.5924 106.056 175.499 -2.53513 32.5921 -2.53443 140.989 GPRESSURE: 1312400 -19.032 131.883 30.9993 21.7353 213.944 53.1538 -12.0907 -27.8991 154.176 PRESSAVG: 1312400 -37.7826 20.3518 -12.5371 20.3517 13.1446 -7.97107 -12.5371 -7.97116 -18.272 GPRESSAVG: 1312400 -37.3655 18.0944 -11.6369 19.4841 13.4483 -6.11559 -11.2845 -10.7329 -18.8741 TIMING: 1312400 CPU: 4136.12, 0.00321363/step Wall: 4136.12, 0.00321363/step, 3.29183 hours remaining, 237.121094 MB of memory in use. ENERGY: 1312400 4073.7152 20510.1417 14466.8215 260.4306 -203365.3905 2655.5491 0.0000 0.0000 52149.1029 -109249.6295 299.7016 -161398.7324 -108890.4887 299.5337 84.8411 116.3629 759910.5954 -14.3033 -14.2638 PRESSURE: 1312600 74.4418 -50.4018 12.6903 -50.4017 71.7023 147.389 12.6912 147.389 -53.2969 GPRESSURE: 1312600 185.36 -109.882 60.1891 74.0462 66.5428 66.0611 -102.702 124.135 -66.2617 PRESSAVG: 1312600 37.3073 17.9592 -1.14404 17.9592 -22.918 4.49943 -1.14399 4.49939 -11.0384 GPRESSAVG: 1312600 35.7281 18.0535 -1.77175 19.8831 -22.0133 1.85996 -2.15679 6.50071 -10.0407 TIMING: 1312600 CPU: 4136.75, 0.00314523/step Wall: 4136.75, 0.00314523/step, 3.22159 hours remaining, 237.121094 MB of memory in use. ENERGY: 1312600 3995.0623 20569.7832 14460.7721 235.9920 -203304.8872 2677.0653 0.0000 0.0000 51970.1983 -109396.0140 298.6734 -161366.2123 -109040.6358 299.1308 30.9491 61.8804 762109.0066 1.1170 1.2247 PRESSURE: 1312800 -43.7925 86.4885 -105.583 86.4882 -105.564 -166.24 -105.583 -166.24 -184.908 GPRESSURE: 1312800 34.8646 93.6534 -160.681 160.26 -98.0026 -187.592 -194.639 -160.13 -154.658 PRESSAVG: 1312800 62.3174 -17.3477 23.217 -17.3477 -51.5344 -35.616 23.217 -35.616 6.81453 GPRESSAVG: 1312800 63.336 -19.3767 23.506 -14.5684 -51.7188 -35.3734 24.044 -36.7612 6.44377 TIMING: 1312800 CPU: 4137.38, 0.00314841/step Wall: 4137.38, 0.00314841/step, 3.22467 hours remaining, 237.121094 MB of memory in use. ENERGY: 1312800 4006.6525 20352.7937 14523.5200 237.7508 -203334.6384 2579.5226 0.0000 0.0000 52437.7396 -109196.6592 301.3604 -161634.3988 -108840.9777 299.6105 -111.4217 -72.5988 761954.6575 5.8658 6.0203 PRESSURE: 1313000 159.319 111.139 36.103 111.139 101.896 32.3367 36.1035 32.338 110.832 GPRESSURE: 1313000 73.6982 66.8318 -53.7237 54.649 161.488 17.2118 114.91 136.618 224.492 PRESSAVG: 1313000 -16.0158 4.79385 23.3441 4.79388 -8.91754 47.7191 23.3442 47.7192 -26.0114 GPRESSAVG: 1313000 -16.7632 6.48004 22.2066 1.8891 -8.13105 48.4197 22.8569 48.5021 -25.6395 TIMING: 1313000 CPU: 4138.01, 0.00314153/step Wall: 4138.01, 0.00314153/step, 3.21745 hours remaining, 237.121094 MB of memory in use. ENERGY: 1313000 4011.0854 20613.6574 14481.7820 254.5408 -203390.2407 2483.0851 0.0000 0.0000 52134.4356 -109411.6544 299.6173 -161546.0899 -109049.4403 299.3048 124.0159 153.2261 762083.2092 -16.9816 -16.8446 PRESSURE: 1313200 -155.642 -62.1344 -59.9351 -62.1343 -132.374 -126.419 -59.9357 -126.42 89.7021 GPRESSURE: 1313200 -63.9189 74.7847 -64.6963 41.7119 -123.794 -117.093 -135.936 -122.048 45.9731 PRESSAVG: 1313200 -0.862498 -5.26947 -46.1921 -5.26952 1.36265 -15.9202 -46.1921 -15.9201 6.30845 GPRESSAVG: 1313200 0.250384 -5.22529 -44.2879 -5.80336 0.796511 -16.3151 -45.7598 -16.2621 6.02801 TIMING: 1313200 CPU: 4138.64, 0.00315164/step Wall: 4138.64, 0.00315164/step, 3.22763 hours remaining, 237.121094 MB of memory in use. ENERGY: 1313200 4137.0419 20381.3438 14514.8101 246.5191 -203344.3944 2726.1040 0.0000 0.0000 52031.5015 -109307.0740 299.0258 -161338.5755 -108959.8395 299.5615 -66.1045 -47.2467 762964.0254 2.2695 2.3583 PRESSURE: 1313400 202.144 -41.3883 294.32 -41.3884 287.703 -2.4644 294.32 -2.46481 438.768 GPRESSURE: 1313400 236.53 -32.2458 330.129 -137.407 216.957 -47.1694 103.195 -168.29 554.254 PRESSAVG: 1313400 63.8248 -41.1684 -44.5899 -41.1685 -27.2265 -12.9744 -44.5899 -12.9744 -3.12124 GPRESSAVG: 1313400 62.991 -40.3126 -45.6459 -41.5216 -26.6733 -11.9656 -45.0867 -14.0526 -3.04872 TIMING: 1313400 CPU: 4139.27, 0.00314973/step Wall: 4139.27, 0.00314973/step, 3.2255 hours remaining, 237.121094 MB of memory in use. ENERGY: 1313400 4017.5049 20480.2537 14540.4415 253.4814 -203340.3316 2807.4284 0.0000 0.0000 51995.3436 -109245.8781 298.8180 -161241.2217 -108872.0720 299.1276 309.5383 335.9138 762885.1820 11.1590 11.0897 PRESSURE: 1313600 -567.459 -110.869 -40.5951 -110.868 -429.921 -170.604 -40.5953 -170.604 -366.128 GPRESSURE: 1313600 -551.966 -123.433 -62.9962 38.4806 -355.193 -173.097 -53.3336 -86.414 -366.394 PRESSAVG: 1313600 30.5597 6.13297 -42.5645 6.13293 -10.595 -17.6027 -42.5645 -17.6027 -1.2989 GPRESSAVG: 1313600 32.1071 3.92355 -42.8077 5.8111 -11.6812 -17.1443 -43.7501 -14.5849 -1.18173 TIMING: 1313600 CPU: 4139.9, 0.00313555/step Wall: 4139.9, 0.00313555/step, 3.2108 hours remaining, 237.121094 MB of memory in use. ENERGY: 1313600 4053.0071 20458.1759 14450.9281 272.0842 -202864.0217 2205.8890 0.0000 0.0000 52241.6014 -109182.3360 300.2332 -161423.9374 -108825.4306 299.9075 -454.5027 -424.5177 763995.3991 6.2219 6.4147 PRESSURE: 1313800 -88.975 -54.3099 52.1377 -54.3097 -53.8427 142.254 52.1375 142.254 154.942 GPRESSURE: 1313800 -149.122 82.7285 98.0204 -100.883 54.1021 134.055 25.7 223.33 192.417 PRESSAVG: 1313800 -5.23534 -51.1944 -11.5805 -51.1944 -36.941 -6.91509 -11.5804 -6.91505 -10.3333 GPRESSAVG: 1313800 -6.90666 -51.0451 -11.0487 -49.0631 -36.0655 -8.76429 -10.9791 -8.26321 -9.50351 TIMING: 1313800 CPU: 4140.53, 0.00315477/step Wall: 4140.53, 0.00315477/step, 3.23031 hours remaining, 237.121094 MB of memory in use. ENERGY: 1313800 4033.1664 20481.4111 14454.3679 261.9973 -203255.3567 2863.9994 0.0000 0.0000 51844.3024 -109316.1122 297.9499 -161160.4146 -108959.9627 299.5614 4.0414 32.4658 761344.1434 -17.5032 -17.4919 PRESSURE: 1314000 85.1669 51.9923 -109.906 51.993 150.603 228.128 -109.906 228.127 106.094 GPRESSURE: 1314000 158.372 143.028 -84.4827 104.806 158.407 210.721 -136.295 145.871 104.72 PRESSAVG: 1314000 13.8326 -42.8177 -3.55506 -42.8178 -47.2373 31.1827 -3.55504 31.1827 26.1036 GPRESSAVG: 1314000 15.2992 -41.3239 -3.21583 -43.1859 -48.0987 31.3392 -1.60681 30.9284 24.9987 TIMING: 1314000 CPU: 4141.16, 0.00315643/step Wall: 4141.16, 0.00315643/step, 3.23184 hours remaining, 237.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1314000 3925.9804 20674.5220 14359.7520 243.3626 -203487.0497 2829.4244 0.0000 0.0000 52341.6277 -109112.3807 300.8081 -161454.0084 -108740.9148 299.7947 113.9545 140.4997 762904.4886 -2.4337 -2.6003 PRESSURE: 1314200 -339.891 57.8161 -133.428 57.8161 -318.578 66.5308 -133.428 66.5308 -115.322 GPRESSURE: 1314200 -339.152 -40.4826 -66.6066 -20.8915 -265.095 29.8205 -41.5257 215.217 -92.4192 PRESSAVG: 1314200 -4.27955 -44.1778 -5.36618 -44.1779 -25.8359 10.9224 -5.36614 10.9224 -11.877 GPRESSAVG: 1314200 -5.65654 -43.9245 -4.22497 -44.1497 -24.7504 12.1844 -6.78759 11.514 -11.55 TIMING: 1314200 CPU: 4141.79, 0.00314674/step Wall: 4141.79, 0.00314674/step, 3.22174 hours remaining, 237.121094 MB of memory in use. ENERGY: 1314200 4040.1637 20665.8266 14408.1434 246.6080 -203234.0764 2495.5603 0.0000 0.0000 52378.1997 -108999.5748 301.0182 -161377.7744 -108628.6696 300.0451 -257.9303 -232.2221 763199.8965 -13.9975 -13.9857 PRESSURE: 1314400 -245.822 -235.86 70.1834 -235.859 30.6343 -211.046 70.1835 -211.045 -205.201 GPRESSURE: 1314400 -195.996 -207.364 30.3461 -264.101 112.014 -116.456 150.662 -215.314 -252.592 PRESSAVG: 1314400 46.2872 -6.67813 -27.3037 -6.67814 16.5137 -21.9976 -27.3037 -21.9976 18.7656 GPRESSAVG: 1314400 46.6322 -7.91488 -29.8061 -6.17511 16.0968 -24.4386 -25.5583 -22.8255 19.2569 TIMING: 1314400 CPU: 4142.42, 0.00315021/step Wall: 4142.42, 0.00315021/step, 3.22512 hours remaining, 237.121094 MB of memory in use. ENERGY: 1314400 3993.2860 20770.5608 14434.2739 273.5880 -202730.4124 2171.8775 0.0000 0.0000 51992.9114 -109093.9148 298.8040 -161086.8261 -108736.1968 300.3691 -140.1294 -112.1912 762919.7592 27.1888 27.3286 PRESSURE: 1314600 358.224 -12.505 164.4 -12.5053 -28.9818 104.824 164.4 104.825 -395.132 GPRESSURE: 1314600 308.488 57.8506 146.012 25.2881 50.7472 56.287 54.3112 50.805 -349.285 PRESSAVG: 1314600 -18.0235 -43.2075 22.1043 -43.2076 13.0606 -37.0788 22.1043 -37.0787 -2.10851 GPRESSAVG: 1314600 -17.8038 -42.8272 24.563 -44.8547 13.646 -36.3244 20.53 -35.824 -2.36818 TIMING: 1314600 CPU: 4143.05, 0.00314582/step Wall: 4143.05, 0.00314582/step, 3.22045 hours remaining, 237.121094 MB of memory in use. ENERGY: 1314600 3992.2635 20552.2222 14457.9406 255.0459 -202923.4294 2329.7566 0.0000 0.0000 52275.5073 -109060.6934 300.4281 -161336.2007 -108704.3485 300.3363 -21.9632 3.3168 760950.8753 -2.3571 -2.1753 PRESSURE: 1314800 27.7141 -33.3091 208.078 -33.3092 149.757 -156.94 208.078 -156.94 -262.85 GPRESSURE: 1314800 71.4395 -148.44 203.532 -43.2501 133.93 -147.409 156.086 -234.977 -187.393 PRESSAVG: 1314800 50.9533 -45.9942 -8.61644 -45.9942 -63.8759 -36.7709 -8.6164 -36.771 15.9392 GPRESSAVG: 1314800 51.6675 -46.7936 -10.226 -44.7292 -64.3291 -36.5534 -7.52693 -38.6616 15.9639 TIMING: 1314800 CPU: 4143.68, 0.00315554/step Wall: 4143.68, 0.00315554/step, 3.23022 hours remaining, 237.121094 MB of memory in use. ENERGY: 1314800 3996.3589 20681.7838 14443.5931 275.3744 -203621.8731 2773.0946 0.0000 0.0000 52199.8812 -109251.7871 299.9934 -161451.6683 -108889.5636 300.3761 -28.4595 5.9924 759543.3056 1.0055 1.1008 PRESSURE: 1315000 397.543 12.2951 -131.963 12.2945 -10.1674 114 -131.963 114.001 536.312 GPRESSURE: 1315000 322.049 29.7767 -110.039 8.63524 102.441 26.0768 -49.6452 170.786 591.1 PRESSAVG: 1315000 31.089 -71.6823 13.5592 -71.6823 -39.5676 -34.6424 13.5592 -34.6424 -3.84718 GPRESSAVG: 1315000 30.3261 -70.9035 15.0614 -72.1822 -38.7748 -34.6589 12.0016 -33.1626 -4.03199 TIMING: 1315000 CPU: 4144.31, 0.0031479/step Wall: 4144.31, 0.0031479/step, 3.22222 hours remaining, 237.121094 MB of memory in use. ENERGY: 1315000 4022.8468 20579.7153 14377.0346 234.0442 -203649.6851 2944.3485 0.0000 0.0000 52264.4656 -109227.2301 300.3646 -161491.6957 -108863.3775 300.2227 307.8959 338.5302 760584.3934 -4.1086 -4.1602 PRESSURE: 1315200 237.011 -176.583 41.0546 -176.583 437.724 24.7261 41.0543 24.7267 38.9265 GPRESSURE: 1315200 226.733 -100.622 49.2928 -35.2532 426.287 -96.462 -7.41248 -41.9684 121.737 PRESSAVG: 1315200 -0.980039 -44.0467 12.3208 -44.0467 14.6269 -36.0652 12.3208 -36.0651 6.13778 GPRESSAVG: 1315200 -0.683254 -43.3788 12.1072 -43.635 14.1749 -38.1467 12.2421 -37.5754 6.67404 TIMING: 1315200 CPU: 4144.94, 0.00313254/step Wall: 4144.94, 0.00313254/step, 3.20633 hours remaining, 237.121094 MB of memory in use. ENERGY: 1315200 4019.2775 20576.2912 14507.4711 253.5146 -203876.6001 2975.1011 0.0000 0.0000 52130.4985 -109414.4462 299.5947 -161544.9447 -109050.0356 299.8458 237.8872 258.2526 760753.9266 6.5949 6.7219 PRESSURE: 1315400 85.6706 -76.1843 -50.8461 -76.1851 -240.638 0.0850097 -50.8466 0.0845102 275.91 GPRESSURE: 1315400 83.5594 90.0786 -73.2777 45.5949 -124.674 15.4549 36.62 16.6315 238.694 PRESSAVG: 1315400 14.684 -7.54638 47.1481 -7.54639 27.2931 -61.4319 47.1481 -61.4319 -3.15423 GPRESSAVG: 1315400 13.9181 -8.47846 45.7919 -8.06485 27.5324 -60.6991 48.1141 -59.9394 -2.84546 TIMING: 1315400 CPU: 4145.56, 0.00313618/step Wall: 4145.56, 0.00313618/step, 3.20988 hours remaining, 237.121094 MB of memory in use. ENERGY: 1315400 4042.6669 20572.1455 14458.7995 219.4898 -203598.3859 2638.3343 0.0000 0.0000 52177.9708 -109488.9790 299.8675 -161666.9498 -109124.1142 299.8165 40.3142 65.8598 760301.9536 12.9410 12.8684 PRESSURE: 1315600 50.7441 224.088 -22.42 224.087 12.1996 -35.4742 -22.42 -35.4741 483.109 GPRESSURE: 1315600 33.1212 226.16 14.9932 149.041 -8.50654 -60.0285 -84.1083 -10.329 594.272 PRESSAVG: 1315600 31.7664 -65.7681 10.7262 -65.7681 -25.0704 -32.8818 10.7262 -32.8819 -0.927106 GPRESSAVG: 1315600 31.0558 -64.3547 9.80855 -66.3209 -25.2079 -31.6258 11.8692 -34.5345 0.208854 TIMING: 1315600 CPU: 4146.19, 0.00312746/step Wall: 4146.19, 0.00312746/step, 3.20078 hours remaining, 237.121094 MB of memory in use. ENERGY: 1315600 3982.7320 20475.8082 14490.2850 233.9494 -203619.3624 2552.7917 0.0000 0.0000 52329.4156 -109554.3806 300.7379 -161883.7961 -109189.5545 299.4748 182.0175 206.2957 760577.3513 1.9230 2.0189 PRESSURE: 1315800 -103.407 -174.955 -260.396 -174.956 -157.705 -187.895 -260.396 -187.895 390.689 GPRESSURE: 1315800 -61.6982 -114.259 -311.626 -118.875 -126.732 -260.501 -176.453 -194.025 414.571 PRESSAVG: 1315800 9.49489 7.49892 18.5252 7.49896 -18.9534 -48.528 18.5252 -48.528 -9.42238 GPRESSAVG: 1315800 10.4512 7.52633 19.5674 8.98225 -18.7804 -47.5863 17.4004 -49.3112 -9.71604 TIMING: 1315800 CPU: 4146.82, 0.00313228/step Wall: 4146.82, 0.00313228/step, 3.20554 hours remaining, 237.121094 MB of memory in use. ENERGY: 1315800 3953.3258 20566.7477 14439.8085 257.6913 -203491.6974 2528.1435 0.0000 0.0000 52072.0444 -109673.9362 299.2588 -161745.9806 -109314.1490 299.2919 43.1925 75.3803 759901.0719 -6.2936 -6.0151 PRESSURE: 1316000 -145.203 -230.648 -150.371 -230.649 -54.9004 -210.79 -150.37 -210.79 133.629 GPRESSURE: 1316000 -150.484 -151.515 -146.698 -297.11 41.9601 -124.896 -116.732 -195.987 111.641 PRESSAVG: 1316000 -29.598 -9.44866 5.78935 -9.44862 -17.3612 -43.1584 5.78931 -43.1585 -1.22043 GPRESSAVG: 1316000 -28.3526 -9.78634 4.2916 -11.6815 -17.1572 -44.6707 6.18736 -42.0919 -2.64563 TIMING: 1316000 CPU: 4147.44, 0.00313403/step Wall: 4147.44, 0.00313403/step, 3.20716 hours remaining, 237.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1316000 3878.4743 20446.3323 14433.6861 253.1933 -203465.7738 2522.3641 0.0000 0.0000 51964.3271 -109967.3966 298.6397 -161931.7237 -109595.5942 298.6689 -22.1584 1.0390 760651.9853 -16.0599 -16.0518 PRESSURE: 1316200 -230.664 112.301 -39.104 112.3 -213.908 161.177 -39.1042 161.177 -27.5955 GPRESSURE: 1316200 -247.054 160.975 -41.1536 125.118 -105.399 190.724 -29.2407 154.538 -39.3715 PRESSAVG: 1316200 -0.534033 -4.98038 38.7454 -4.98041 -37.6958 -68.7094 38.7455 -68.7094 -18.5823 GPRESSAVG: 1316200 -0.262581 -3.66719 38.8651 -4.82385 -38.9797 -68.6702 39.2732 -66.2643 -17.7127 TIMING: 1316200 CPU: 4148.07, 0.00314391/step Wall: 4148.07, 0.00314391/step, 3.21709 hours remaining, 237.121094 MB of memory in use. ENERGY: 1316200 3987.5290 20572.0333 14450.8741 248.5465 -203082.4267 2383.0303 0.0000 0.0000 51722.4450 -109717.9685 297.2496 -161440.4135 -109356.6961 298.6507 -157.3891 -130.6081 761058.3521 -18.9374 -18.9850 LDB: ============= START OF LOAD BALANCING ============== 4160.47 LDB: ============== END OF LOAD BALANCING =============== 4160.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4160.47 LDB: ============= START OF LOAD BALANCING ============== 4160.78 LDB: Largest compute 7038 load 0.031422 is 16.0% of average load 0.196035 LDB: Average compute 0.004387 is 2.2% of average load 0.196035 LDB: TIME 4160.79 LOAD: AVG 0.196035 MAX 0.215521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.199 MB LDB: TIME 4160.79 LOAD: AVG 0.196035 MAX 0.215521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.199 MB LDB: TIME 4160.79 LOAD: AVG 0.196035 MAX 0.215521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.199 MB LDB: ============== END OF LOAD BALANCING =============== 4160.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4160.8 PRESSURE: 1316400 -505.304 261.991 25.1848 261.99 26.6165 -113.981 25.1853 -113.981 -603.852 GPRESSURE: 1316400 -456.325 195.002 35.3837 209.621 -65.8874 -163.153 -76.6337 -32.3226 -476.092 PRESSAVG: 1316400 23.1904 0.253449 49.1302 0.25346 -4.97027 -58.1722 49.1302 -58.1722 11.3402 GPRESSAVG: 1316400 22.4383 -1.46594 47.7046 2.41238 -5.04133 -56.7447 48.9128 -62.1015 11.9922 TIMING: 1316400 CPU: 4148.71, 0.0032094/step Wall: 4148.71, 0.0032094/step, 3.28393 hours remaining, 237.890625 MB of memory in use. ENERGY: 1316400 4025.0481 20559.6814 14400.3328 260.7833 -203304.6810 2242.4496 0.0000 0.0000 51999.4794 -109816.9063 298.8417 -161816.3857 -109456.4225 299.0274 -360.8466 -332.7679 759975.7788 9.8534 9.7964 PRESSURE: 1316600 -228.721 -153.573 69.3983 -153.571 -61.537 -89.9031 69.3987 -89.9034 -426.314 GPRESSURE: 1316600 -195.475 -178.852 -5.42339 -235.3 -67.1048 -55.097 227.508 -27.177 -375.854 PRESSAVG: 1316600 22.895 -3.00272 -8.92876 -3.00277 18.4783 -30.5655 -8.92877 -30.5655 -7.67528 GPRESSAVG: 1316600 23.3442 -2.79796 -7.38864 -2.6106 19.7771 -31.2125 -10.2284 -28.4558 -9.19418 TIMING: 1316600 CPU: 4149.34, 0.00313419/step Wall: 4149.34, 0.00313419/step, 3.2068 hours remaining, 238.132812 MB of memory in use. ENERGY: 1316600 4001.7474 20447.6524 14450.5630 238.1246 -203693.1611 2548.2628 0.0000 0.0000 52151.7145 -109855.0964 299.7166 -162006.8109 -109494.9000 299.0651 -238.8571 -212.8114 758349.7290 11.2327 11.3090 PRESSURE: 1316800 190.252 55.083 50.3001 55.0822 -45.6625 89.4564 50.2993 89.4558 -186.771 GPRESSURE: 1316800 193.047 20.9727 8.16417 45.6339 23.018 2.37817 110.472 -30.7623 -182.858 PRESSAVG: 1316800 20.199 -15.9922 -4.30129 -15.9923 -0.298183 -51.2586 -4.30128 -51.2586 -9.93184 GPRESSAVG: 1316800 19.6413 -15.6421 -5.26853 -16.2821 -0.138474 -53.6771 -4.03679 -53.2601 -9.40435 TIMING: 1316800 CPU: 4149.97, 0.00314645/step Wall: 4149.97, 0.00314645/step, 3.21916 hours remaining, 238.203125 MB of memory in use. ENERGY: 1316800 4040.7246 20273.6564 14485.2713 268.9267 -203536.5963 2652.5746 0.0000 0.0000 51838.0138 -109977.4288 297.9138 -161815.4426 -109611.4961 298.3197 -14.0605 11.0689 760132.1659 3.3230 3.3662 PRESSURE: 1317000 -67.3927 -226.515 -4.36741 -226.516 90.6533 -140.954 -4.36745 -140.955 135.72 GPRESSURE: 1317000 32.5316 -149.27 -48.2429 -171.909 161.143 -175.96 -123.81 44.757 73.7537 PRESSAVG: 1317000 21.2133 32.8553 -6.20259 32.8553 -22.811 -2.91486 -6.20258 -2.91489 -3.59889 GPRESSAVG: 1317000 20.0642 34.2295 -5.40047 32.9848 -23.5411 -0.399645 -5.12148 -0.874019 -2.53581 TIMING: 1317000 CPU: 4150.6, 0.00314754/step Wall: 4150.6, 0.00314754/step, 3.22011 hours remaining, 238.203125 MB of memory in use. ENERGY: 1317000 3927.1127 20372.8089 14432.9243 239.1763 -203369.3030 2360.3590 0.0000 0.0000 51936.4621 -110100.4599 298.4796 -162036.9219 -109726.7418 298.6332 52.9936 89.1427 760598.2450 -1.7322 -2.0043 PRESSURE: 1317200 125.735 -191.652 167.577 -191.652 -93.0356 -214.011 167.577 -214.011 14.0487 GPRESSURE: 1317200 259.157 -47.1819 137.179 -133.801 -147.934 -231.797 63.5873 -58.0393 30.2148 PRESSAVG: 1317200 18.6253 1.13698 -11.6387 1.137 -32.5678 -50.85 -11.6388 -50.85 2.72814 GPRESSAVG: 1317200 20.5128 -0.116448 -11.2406 1.70479 -33.0679 -52.1626 -14.5149 -48.5206 0.891974 TIMING: 1317200 CPU: 4151.23, 0.00313241/step Wall: 4151.23, 0.00313241/step, 3.20445 hours remaining, 238.203125 MB of memory in use. ENERGY: 1317200 4039.3657 20549.4385 14376.1423 235.0464 -203704.0154 2649.9342 0.0000 0.0000 52099.9535 -109754.1347 299.4191 -161854.0883 -109384.4812 298.8185 15.5826 47.1458 760110.4696 -3.7381 -3.8877 PRESSURE: 1317400 -405.709 200.263 -99.1998 200.264 -480.927 75.9689 -99.1998 75.9675 -59.4833 GPRESSURE: 1317400 -319.754 229.511 -145.21 95.0842 -498.954 31.2952 -96.584 -43.9996 -59.2405 PRESSAVG: 1317400 12.1544 24.4609 7.60118 24.4609 3.78424 -24.7528 7.60114 -24.7527 -16.014 GPRESSAVG: 1317400 10.2978 25.5244 8.18966 22.8089 3.56494 -23.9936 7.99384 -28.8808 -14.4351 TIMING: 1317400 CPU: 4151.85, 0.00312919/step Wall: 4151.85, 0.00312919/step, 3.20099 hours remaining, 238.203125 MB of memory in use. ENERGY: 1317400 4069.6614 20468.1613 14496.5200 260.4211 -203638.7079 2405.1119 0.0000 0.0000 52161.1659 -109777.6662 299.7709 -161938.8322 -109412.8371 299.3990 -315.3732 -292.6494 760871.9256 -0.0251 -0.1908 PRESSURE: 1317600 107.258 -146.88 -236.654 -146.88 63.6768 110.23 -236.653 110.231 -287.049 GPRESSURE: 1317600 96.5078 -90.4336 -155.595 -82.2345 181.462 0.154261 -320.399 104.936 -299.732 PRESSAVG: 1317600 22.6642 43.4363 -38.5308 43.4363 -33.764 -59.1097 -38.5308 -59.1098 2.36585 GPRESSAVG: 1317600 22.8205 43.3213 -39.334 44.2364 -33.3767 -59.0227 -37.7598 -58.0123 1.84271 TIMING: 1317600 CPU: 4152.48, 0.0031377/step Wall: 4152.48, 0.0031377/step, 3.20951 hours remaining, 238.203125 MB of memory in use. ENERGY: 1317600 3919.3155 20644.8989 14501.9470 249.0215 -203183.1753 2201.2002 0.0000 0.0000 51828.3228 -109838.4694 297.8581 -161666.7922 -109481.4860 298.6967 -38.7048 -7.2540 760002.3560 -2.9113 -2.9045 PRESSURE: 1317800 -7.21705 -21.4199 6.74686 -21.4203 -123.569 244.115 6.74691 244.115 -355.734 GPRESSURE: 1317800 80.9028 -72.4432 -14.7593 -40.6731 -184.781 213.495 25.6225 81.7706 -277.712 PRESSAVG: 1317800 45.8046 -42.9502 -27.2817 -42.9503 -21.2 -42.8991 -27.2816 -42.8991 -16.268 GPRESSAVG: 1317800 46.7063 -41.6376 -28.8852 -45.8084 -21.8014 -43.7549 -27.1863 -42.465 -16.7117 TIMING: 1317800 CPU: 4153.11, 0.003147/step Wall: 4153.11, 0.003147/step, 3.21886 hours remaining, 238.203125 MB of memory in use. ENERGY: 1317800 3947.6424 20626.3155 14461.6838 249.9452 -203926.1768 2661.1095 0.0000 0.0000 52202.4032 -109777.0773 300.0079 -161979.4805 -109412.9465 298.8278 -162.1736 -127.1965 759874.1417 2.7789 2.7311 PRESSURE: 1318000 100.386 -144.052 -97.0687 -144.051 30.2231 -37.4566 -97.0675 -37.4563 168.498 GPRESSURE: 1318000 110.097 -110.888 -101.798 -55.9752 5.42529 -49.2662 63.533 -17.3077 277.262 PRESSAVG: 1318000 21.0612 21.5044 -72.036 21.5045 -57.1252 18.5894 -72.036 18.5893 17.7053 GPRESSAVG: 1318000 19.9843 20.9317 -70.7271 22.5896 -56.805 20.0376 -74.5572 18.5107 18.491 TIMING: 1318000 CPU: 4153.74, 0.00314919/step Wall: 4153.74, 0.00314919/step, 3.22092 hours remaining, 238.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1318000 4031.9823 20636.0826 14537.0572 249.7373 -203662.1754 2609.1694 0.0000 0.0000 52036.7845 -109561.3620 299.0561 -161598.1466 -109201.1818 298.9423 99.7022 130.9280 761994.8134 -6.1196 -6.1099 PRESSURE: 1318200 503.693 -32.2638 -73.7071 -32.2628 51.6551 -7.0935 -73.7066 -7.09287 300.063 GPRESSURE: 1318200 487.376 8.64274 -100.618 -60.7699 89.8962 38.9726 -40.021 39.0801 354.03 PRESSAVG: 1318200 51.5123 -17.4482 -60.1798 -17.4482 -39.562 -31.7266 -60.1798 -31.7266 2.21345 GPRESSAVG: 1318200 51.3138 -16.9213 -58.9413 -17.2867 -40.1753 -32.909 -58.545 -30.1805 2.74281 TIMING: 1318200 CPU: 4154.37, 0.00316495/step Wall: 4154.37, 0.00316495/step, 3.23686 hours remaining, 238.203125 MB of memory in use. ENERGY: 1318200 3975.7059 20540.6357 14476.1573 245.9506 -203689.6908 2644.9754 0.0000 0.0000 52163.6198 -109642.6462 299.7850 -161806.2660 -109280.6052 298.8226 285.1372 310.4342 760721.7754 4.7213 4.6271 PRESSURE: 1318400 353.493 87.5355 -178.181 87.535 340.771 314.296 -178.182 314.297 79.9868 GPRESSURE: 1318400 279.761 137.464 -167.262 106.722 361.028 333.14 -133.473 139.047 208.397 PRESSAVG: 1318400 22.8142 -3.48422 -10.596 -3.48424 -9.26347 27.6801 -10.5959 27.6801 6.90631 GPRESSAVG: 1318400 23.6359 -5.06499 -12.6407 -2.63072 -9.75974 26.9489 -9.64109 26.2261 6.79663 TIMING: 1318400 CPU: 4155.01, 0.00317338/step Wall: 4155.01, 0.00317338/step, 3.24531 hours remaining, 238.203125 MB of memory in use. ENERGY: 1318400 4010.5957 20676.8563 14499.3292 244.8034 -203501.0981 2514.6857 0.0000 0.0000 52012.1609 -109542.6670 298.9146 -161554.8279 -109172.0289 298.8762 258.0833 283.0619 760917.6531 6.8190 6.8909 PRESSURE: 1318600 70.0334 -56.8792 -68.2365 -56.8792 -112.198 -160.393 -68.2359 -160.394 -168.461 GPRESSURE: 1318600 98.548 57.0952 -64.2257 -12.0559 -42.5048 -212.193 -38.3486 -92.3577 -189.642 PRESSAVG: 1318600 49.1194 12.3731 -8.1779 12.3731 -63.4163 -66.2162 -8.1779 -66.2162 -3.68709 GPRESSAVG: 1318600 48.2091 11.5603 -7.35988 13.6446 -62.2506 -65.3373 -8.05659 -66.9219 -3.95877 TIMING: 1318600 CPU: 4155.64, 0.00315565/step Wall: 4155.64, 0.00315565/step, 3.22701 hours remaining, 238.203125 MB of memory in use. ENERGY: 1318600 3966.2487 20717.0962 14419.4037 239.5967 -203358.8090 2348.2975 0.0000 0.0000 52014.5384 -109653.6278 298.9283 -161668.1662 -109299.6561 299.1761 -70.2086 -44.5328 763021.0218 -5.9947 -6.0001 PRESSURE: 1318800 -173.129 -109.956 106.784 -109.956 12.7306 -20.6547 106.785 -20.6547 -321.291 GPRESSURE: 1318800 -58.6257 -38.3104 145.12 -19.6979 -66.066 -81.5129 83.898 18.8173 -275.596 PRESSAVG: 1318800 9.36314 -43.1052 24.896 -43.1054 23.9204 10.1044 24.896 10.1043 2.36628 GPRESSAVG: 1318800 9.59592 -42.9469 25.326 -44.2207 23.468 11.0568 24.0187 9.32533 1.80241 TIMING: 1318800 CPU: 4156.27, 0.00314969/step Wall: 4156.27, 0.00314969/step, 3.22073 hours remaining, 238.203125 MB of memory in use. ENERGY: 1318800 3996.1592 20593.3864 14420.4500 256.9219 -203211.8003 2405.0920 0.0000 0.0000 51799.4317 -109740.3591 297.6920 -161539.7909 -109386.8291 298.6515 -160.5629 -133.4291 762948.2856 11.8833 11.6221 PRESSURE: 1319000 -307.804 16.1599 -19.0364 16.1595 -25.7735 -58.6277 -19.0374 -58.6271 -115.74 GPRESSURE: 1319000 -229.976 14.9981 -16.7819 21.8605 -10.1908 -28.1334 -86.6693 -128.647 -127.113 PRESSAVG: 1319000 -65.7157 -65.927 -27.8846 -65.927 -14.0834 -34.1538 -27.8846 -34.1538 -8.06324 GPRESSAVG: 1319000 -65.1389 -65.2521 -27.6097 -66.0302 -13.5025 -34.5876 -29.551 -32.4394 -8.9065 TIMING: 1319000 CPU: 4156.89, 0.00313202/step Wall: 4156.89, 0.00313202/step, 3.20249 hours remaining, 238.203125 MB of memory in use. ENERGY: 1319000 3995.4530 20499.9551 14438.0567 246.7046 -203540.0175 2504.1882 0.0000 0.0000 52171.1309 -109684.5290 299.8282 -161855.6599 -109316.6960 298.5638 -149.7725 -122.4266 762000.8460 -29.2874 -29.1826 PRESSURE: 1319200 -140.629 3.97129 238.818 3.97164 222.236 128.326 238.818 128.326 71.183 GPRESSURE: 1319200 -148.648 9.39466 262.636 58.3217 198.746 106.474 185.98 173.261 186.3 PRESSAVG: 1319200 41.8237 -35.0842 -58.7774 -35.0842 -23.683 29.0933 -58.7773 29.0933 -20.757 GPRESSAVG: 1319200 41.9242 -35.4733 -59.7567 -33.4867 -25.3499 28.6875 -56.8382 29.3408 -19.3732 TIMING: 1319200 CPU: 4157.52, 0.00313065/step Wall: 4157.52, 0.00313065/step, 3.20092 hours remaining, 238.203125 MB of memory in use. ENERGY: 1319200 3912.0583 20510.0077 14538.0119 244.2650 -203332.2533 2568.4164 0.0000 0.0000 51810.2072 -109749.2868 297.7540 -161559.4940 -109394.9227 298.8639 50.9299 78.7989 761239.2884 -0.8721 -0.9330 PRESSURE: 1319400 -233.112 113.604 -97.9723 113.604 112.765 44.5557 -97.9725 44.5547 225.564 GPRESSURE: 1319400 -203.972 90.7504 -82.6572 101.53 163.013 85.0859 -124.516 72.004 224.128 PRESSAVG: 1319400 27.6077 -19.0796 -8.56497 -19.0796 -44.0662 23.8816 -8.56497 23.8816 0.075456 GPRESSAVG: 1319400 27.5841 -17.0135 -8.34079 -20.8768 -44.2223 23.8594 -8.4152 24.1294 -0.0512722 TIMING: 1319400 CPU: 4158.15, 0.00313916/step Wall: 4158.15, 0.00313916/step, 3.20944 hours remaining, 238.203125 MB of memory in use. ENERGY: 1319400 3941.0691 20391.6712 14493.3131 256.3270 -203459.3878 2671.2754 0.0000 0.0000 51917.8421 -109787.8898 298.3726 -161705.7320 -109430.1008 298.2408 35.0725 61.0564 763334.2920 -5.4610 -5.5631 PRESSURE: 1319600 -444.814 134.1 150.883 134.101 -464.043 -93.9546 150.884 -93.9546 -244.052 GPRESSURE: 1319600 -432.008 -0.692037 180.71 108.686 -430.033 -48.9788 -4.38308 -64.0205 -198.791 PRESSAVG: 1319600 35.5883 -32.6864 -14.5418 -32.6864 -5.90192 -10.0201 -14.5418 -10.0201 10.7182 GPRESSAVG: 1319600 35.3066 -33.8819 -15.0958 -31.574 -5.89618 -11.2736 -15.7586 -11.4672 10.8576 TIMING: 1319600 CPU: 4158.77, 0.00312591/step Wall: 4158.77, 0.00312591/step, 3.19572 hours remaining, 238.203125 MB of memory in use. ENERGY: 1319600 3981.8103 20516.0110 14477.2011 248.4079 -203110.3277 2265.5895 0.0000 0.0000 51902.0386 -109719.2693 298.2817 -161621.3079 -109348.1449 298.8601 -384.3030 -353.6108 761444.7895 13.4682 13.4227 PRESSURE: 1319800 14.3447 -74.5741 -143.185 -74.5738 -137.978 63.8821 -143.185 63.8814 -259.489 GPRESSURE: 1319800 99.9681 -28.9158 -45.6735 -141.643 -90.1969 152.637 -133.482 -35.2271 -316.872 PRESSAVG: 1319800 -42.4402 -11.5202 -17.285 -11.5202 33.8279 -12.2926 -17.285 -12.2926 16.3976 GPRESSAVG: 1319800 -43.2244 -11.8093 -14.5516 -11.0398 34.5974 -9.73545 -18.088 -12.7949 15.9612 TIMING: 1319800 CPU: 4159.4, 0.0031356/step Wall: 4159.4, 0.0031356/step, 3.20546 hours remaining, 238.203125 MB of memory in use. ENERGY: 1319800 4012.6625 20494.7792 14442.7143 261.3225 -203310.7991 2529.4474 0.0000 0.0000 51897.7861 -109672.0870 298.2573 -161569.8731 -109311.6689 298.8699 -127.7075 -102.3669 762097.6730 2.5951 2.4447 PRESSURE: 1320000 22.2086 -89.9842 183.128 -89.9832 308.359 -135.263 183.128 -135.264 -146.061 GPRESSURE: 1320000 -42.3967 4.90243 173.105 -163.691 359.048 -196.76 162.68 -241.666 -25.3367 PRESSAVG: 1320000 -17.0137 -23.639 -37.2314 -23.639 31.7241 -69.0235 -37.2315 -69.0235 16.2045 GPRESSAVG: 1320000 -17.3505 -24.3885 -37.1654 -24.1149 30.9582 -70.0599 -35.3357 -72.3222 17.6392 TIMING: 1320000 CPU: 4160.03, 0.00315203/step Wall: 4160.03, 0.00315203/step, 3.22208 hours remaining, 238.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1320000 3926.2812 20608.1131 14473.3189 272.1543 -203586.8659 2764.8404 0.0000 0.0000 51745.1375 -109797.0206 297.3800 -161542.1581 -109447.5914 298.7796 61.5019 97.1050 760554.0146 10.3049 10.4156 PRESSURE: 1320200 157.034 24.7333 155.289 24.7334 171.384 -61.3062 155.289 -61.3069 -322.642 GPRESSURE: 1320200 142.504 -40.3494 93.0901 183.165 260.86 -150.69 135.217 25.352 -300.692 PRESSAVG: 1320200 13.665 -43.1803 -2.47694 -43.1803 -6.96807 -69.8974 -2.47695 -69.8975 -18.0441 GPRESSAVG: 1320200 14.4421 -42.3738 -3.35687 -42.7768 -6.70068 -70.2348 -2.71313 -66.2833 -19.2182 TIMING: 1320200 CPU: 4160.66, 0.00315432/step Wall: 4160.66, 0.00315432/step, 3.22424 hours remaining, 238.203125 MB of memory in use. ENERGY: 1320200 4006.8336 20468.4999 14506.0652 250.0507 -203618.7310 2600.5488 0.0000 0.0000 51747.5641 -110039.1688 297.3940 -161786.7329 -109679.3439 299.2201 1.9252 34.2239 758821.9411 -3.7824 -3.8256 LDB: ============= START OF LOAD BALANCING ============== 4173.06 LDB: ============== END OF LOAD BALANCING =============== 4173.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4173.06 LDB: ============= START OF LOAD BALANCING ============== 4173.37 LDB: Largest compute 7078 load 0.030489 is 15.6% of average load 0.195938 LDB: Average compute 0.004375 is 2.2% of average load 0.195938 LDB: TIME 4173.38 LOAD: AVG 0.195938 MAX 0.214432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.176 MB LDB: TIME 4173.38 LOAD: AVG 0.195938 MAX 0.214432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.176 MB LDB: TIME 4173.38 LOAD: AVG 0.195938 MAX 0.214432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.176 MB LDB: ============== END OF LOAD BALANCING =============== 4173.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4173.38 PRESSURE: 1320400 -162.141 -185.867 -76.396 -185.867 -41.1584 -69.4613 -76.3967 -69.4615 -23.5044 GPRESSURE: 1320400 -136.534 -212.98 -45.4297 -93.9757 -68.0549 -130.248 -190.225 0.646099 42.4478 PRESSAVG: 1320400 -5.02598 6.59893 -15.6223 6.59899 17.6948 -8.64953 -15.6222 -8.64955 -12.9124 GPRESSAVG: 1320400 -6.17073 6.72215 -17.6293 6.17673 17.5219 -9.23235 -15.0805 -8.10771 -12.3718 TIMING: 1320400 CPU: 4161.3, 0.00320344/step Wall: 4161.3, 0.00320344/step, 3.27427 hours remaining, 238.347656 MB of memory in use. ENERGY: 1320400 3996.3046 20300.5965 14467.9000 243.1860 -203656.0961 2816.2258 0.0000 0.0000 51964.1360 -109867.7472 298.6386 -161831.8831 -109498.2107 298.8597 -75.6011 -54.0472 760920.6297 -0.0812 -0.3402 PRESSURE: 1320600 199.533 29.8356 -0.691195 29.8352 77.4645 -79.6074 -0.691662 -79.6075 -34.3402 GPRESSURE: 1320600 271.128 -49.5308 47.667 84.6334 64.8192 -117.159 -100.427 88.9827 -1.54238 PRESSAVG: 1320600 -74.8324 -50.8558 20.1465 -50.8558 34.8725 -22.0419 20.1465 -22.0419 -1.84168 GPRESSAVG: 1320600 -73.3054 -51.1046 20.7273 -49.0426 34.4544 -23.0421 17.4098 -20.2773 -2.9078 TIMING: 1320600 CPU: 4161.93, 0.0031323/step Wall: 4161.93, 0.0031323/step, 3.20139 hours remaining, 238.550781 MB of memory in use. ENERGY: 1320600 3955.8324 20379.6428 14429.8701 247.9802 -203557.0181 2486.9225 0.0000 0.0000 52104.9459 -109951.8243 299.4478 -162056.7701 -109586.0182 298.6403 80.8857 111.4682 761029.7329 -13.9339 -13.9196 PRESSURE: 1320800 88.1961 26.1212 -102.901 26.1209 -157.323 94.6499 -102.9 94.6498 -81.8656 GPRESSURE: 1320800 48.7338 94.8075 -91.8202 110.342 -110.649 89.2173 -96.0821 -30.1133 -22.455 PRESSAVG: 1320800 39.5364 11.2954 7.42533 11.2954 5.9004 25.1848 7.42538 25.1848 7.89313 GPRESSAVG: 1320800 38.3211 13.0979 9.04865 8.96109 6.33391 26.4786 10.4753 23.8879 9.12704 TIMING: 1320800 CPU: 4162.56, 0.00314308/step Wall: 4162.56, 0.00314308/step, 3.21223 hours remaining, 238.550781 MB of memory in use. ENERGY: 1320800 3932.6923 20461.3937 14438.7074 247.8460 -203395.9865 2445.8729 0.0000 0.0000 51970.7797 -109898.6945 298.6768 -161869.4742 -109537.5219 298.9518 -50.3308 -28.1235 761017.2603 17.7767 17.9274 PRESSURE: 1321000 93.7427 63.6288 53.1603 63.628 102.598 144.823 53.1605 144.822 -168.601 GPRESSURE: 1321000 134.751 96.2208 8.96573 57.0072 78.7916 255.801 -31.1583 93.1751 -136.866 PRESSAVG: 1321000 11.0796 38.5544 10.9375 38.5544 -56.415 11.8611 10.9374 11.8611 -0.472918 GPRESSAVG: 1321000 12.3297 36.7814 10.4965 40.8 -57.0659 12.2843 10.7926 9.35743 -1.32248 TIMING: 1321000 CPU: 4163.18, 0.00314028/step Wall: 4163.18, 0.00314028/step, 3.20919 hours remaining, 238.550781 MB of memory in use. ENERGY: 1321000 3924.0703 20569.8842 14470.8396 240.3294 -203427.8024 2658.1427 0.0000 0.0000 51911.2255 -109653.3106 298.3345 -161564.5362 -109294.0841 298.8428 9.2464 25.5590 763154.2423 -15.2694 -15.3529 PRESSURE: 1321200 230.301 1.1592 14.4002 1.15917 81.885 -140.336 14.4005 -140.337 295.749 GPRESSURE: 1321200 261.294 24.9302 51.7425 -34.5216 106.765 -83.0337 105.124 -92.378 338.559 PRESSAVG: 1321200 -5.30032 36.8061 -46.0896 36.8062 20.1599 0.416215 -46.0895 0.416204 12.6964 GPRESSAVG: 1321200 -5.3343 37.2888 -46.2835 36.3315 20.6569 0.801681 -47.2094 0.185252 12.4525 TIMING: 1321200 CPU: 4163.81, 0.00313235/step Wall: 4163.81, 0.00313235/step, 3.20091 hours remaining, 238.550781 MB of memory in use. ENERGY: 1321200 3917.9759 20377.8785 14447.0490 249.1410 -203675.0693 2982.1859 0.0000 0.0000 52278.2961 -109422.5429 300.4441 -161700.8390 -109051.8589 299.1454 202.6450 235.5393 761068.6196 9.1854 9.2584 PRESSURE: 1321400 -6.38074 -150.75 -167.803 -150.751 80.9943 170.722 -167.803 170.722 20.8867 GPRESSURE: 1321400 13.7812 -147.027 -174.232 -105.619 141.241 121.707 -95.9431 69.7388 22.3197 PRESSAVG: 1321400 -18.7797 2.93022 -39.9294 2.93026 11.4796 0.35995 -39.9293 0.359926 0.129876 GPRESSAVG: 1321400 -18.5439 4.89802 -39.9005 3.69326 11.4877 0.958038 -39.4408 0.356879 -0.088736 TIMING: 1321400 CPU: 4164.44, 0.00313699/step Wall: 4164.44, 0.00313699/step, 3.20548 hours remaining, 238.550781 MB of memory in use. ENERGY: 1321400 4019.2410 20379.9729 14498.7981 246.7117 -203282.6755 2770.6597 0.0000 0.0000 51940.4097 -109426.8824 298.5022 -161367.2921 -109068.5050 299.3128 31.8334 59.1139 762591.9124 -2.3901 -2.3817 PRESSURE: 1321600 169.542 -143.221 -208.818 -143.221 181.216 -38.2558 -208.818 -38.2556 83.8342 GPRESSURE: 1321600 184.493 -26.5984 -190.917 -157.106 245.87 -56.1656 -263.181 -80.5888 74.4451 PRESSAVG: 1321600 -29.4581 -10.1893 -12.178 -10.1893 21.9163 56.0506 -12.178 56.0505 23.9248 GPRESSAVG: 1321600 -28.6949 -10.6342 -11.9439 -11.5495 20.9784 54.3108 -11.9243 58.3809 24.3713 TIMING: 1321600 CPU: 4165.07, 0.00314834/step Wall: 4165.07, 0.00314834/step, 3.2169 hours remaining, 238.550781 MB of memory in use. ENERGY: 1321600 3913.5670 20282.3593 14480.3955 247.5448 -203358.4681 2686.1958 0.0000 0.0000 52185.5660 -109562.8397 299.9112 -161748.4058 -109198.9540 299.0282 144.8640 168.2694 760157.1323 5.4610 5.5516 PRESSURE: 1321800 -83.9372 1.05077 5.75121 1.05018 36.0447 -57.9086 5.75138 -57.9073 -53.2363 GPRESSURE: 1321800 -98.1449 27.3514 -6.24569 -0.521385 72.5337 -138.915 16.9653 -117.81 9.23306 PRESSAVG: 1321800 18.9942 -16.2208 45.1856 -16.2208 -17.2682 -21.9415 45.1855 -21.9415 -26.4069 GPRESSAVG: 1321800 18.3561 -16.1924 44.031 -16.5791 -15.6752 -21.1587 43.8907 -20.9742 -27.312 TIMING: 1321800 CPU: 4165.7, 0.00315109/step Wall: 4165.7, 0.00315109/step, 3.21954 hours remaining, 238.550781 MB of memory in use. ENERGY: 1321800 3934.3910 20541.6413 14431.4776 244.5390 -203609.5012 2783.7052 0.0000 0.0000 52092.2029 -109581.5442 299.3746 -161673.7471 -109235.7014 299.6374 -33.7096 -5.4594 761203.5222 -8.2269 -8.2104 PRESSURE: 1322000 260.256 318.881 -18.3938 318.881 95.4575 88.1478 -18.3929 88.1479 123.246 GPRESSURE: 1322000 229.571 127.672 42.5044 213.825 171.243 32.935 -166.666 122.315 174.489 PRESSAVG: 1322000 -23.7597 49.793 -30.4764 49.7929 -4.37645 -47.6003 -30.4763 -47.6003 -11.3393 GPRESSAVG: 1322000 -24.0309 48.5124 -29.8368 49.3534 -4.82344 -48.5187 -29.7022 -50.4964 -10.5683 TIMING: 1322000 CPU: 4166.33, 0.00313945/step Wall: 4166.33, 0.00313945/step, 3.20748 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1322000 4016.9976 20528.8330 14483.0910 249.0545 -203561.1117 2765.2723 0.0000 0.0000 51925.7575 -109592.1058 298.4180 -161517.8634 -109234.2568 299.4113 159.6534 191.7677 759967.4099 -13.1585 -13.1409 PRESSURE: 1322200 338.139 22.5983 -182.983 22.5988 244.142 -121.201 -182.983 -121.201 60.323 GPRESSURE: 1322200 332.285 53.4687 -71.5495 -19.1851 317.231 -192.26 -102.108 -103.124 82.2781 PRESSAVG: 1322200 5.40107 40.1768 4.71298 40.1769 46.8828 -6.00904 4.71297 -6.00902 5.97482 GPRESSAVG: 1322200 4.91261 41.585 3.81593 40.2352 45.9285 -4.73192 6.57815 -6.2085 7.00949 TIMING: 1322200 CPU: 4166.95, 0.00312331/step Wall: 4166.95, 0.00312331/step, 3.19081 hours remaining, 238.550781 MB of memory in use. ENERGY: 1322200 3955.4245 20351.6034 14457.0788 257.6563 -203852.0130 2877.5094 0.0000 0.0000 52287.9413 -109664.7992 300.4995 -161952.7405 -109303.7004 299.6715 214.2013 243.9314 760722.5375 19.4196 19.2835 PRESSURE: 1322400 -302.339 -1.74914 -154.215 -1.74999 -347.978 207.555 -154.214 207.555 -491.334 GPRESSURE: 1322400 -248.882 -103.445 -124.849 60.7398 -343.14 161.493 5.1112 121.117 -456.154 PRESSAVG: 1322400 10.6886 5.85894 50.8192 5.85891 -13.4028 27.9647 50.8192 27.9647 1.85375 GPRESSAVG: 1322400 10.7352 4.79051 51.9159 4.76077 -12.6159 28.9377 51.4487 28.9552 1.57292 TIMING: 1322400 CPU: 4167.57, 0.003119/step Wall: 4167.57, 0.003119/step, 3.18623 hours remaining, 238.550781 MB of memory in use. ENERGY: 1322400 3953.9900 20515.4394 14418.6067 275.3656 -203114.9420 2380.4606 0.0000 0.0000 51915.1501 -109655.9295 298.3571 -161571.0796 -109299.3401 298.8664 -380.5505 -349.3919 762234.8240 -0.2868 -0.1026 PRESSURE: 1322600 185.917 3.58551 -156.148 3.58546 243.689 -81.4882 -156.147 -81.4875 -119.583 GPRESSURE: 1322600 273.379 47.5437 -66.9184 14.4348 244.454 -58.2437 -219.571 -261.616 -122.529 PRESSAVG: 1322600 -2.04313 62.2155 -12.6205 62.2154 9.32005 28.891 -12.6205 28.8909 -4.5739 GPRESSAVG: 1322600 -1.98445 62.5946 -13.9054 63.0122 9.48813 27.1614 -13.5273 29.0229 -4.91459 TIMING: 1322600 CPU: 4168.2, 0.00313521/step Wall: 4168.2, 0.00313521/step, 3.20262 hours remaining, 238.550781 MB of memory in use. ENERGY: 1322600 4072.9986 20526.9630 14462.0036 234.8149 -203313.3918 2657.1004 0.0000 0.0000 51796.5634 -109562.9477 297.6756 -161359.5112 -109209.5589 299.5117 103.3411 131.7678 761179.1800 0.9010 0.8630 PRESSURE: 1322800 -60.7619 -94.4575 37.6229 -94.4578 198.675 132.759 37.6226 132.759 -80.3626 GPRESSURE: 1322800 -26.6657 -18.4522 22.9482 -4.65737 108.093 75.249 22.4423 129.571 41.9148 PRESSAVG: 1322800 -4.02682 -7.94776 24.7693 -7.94776 -5.13528 10.0058 24.7692 10.0057 4.49895 GPRESSAVG: 1322800 -4.4056 -7.40464 24.8329 -7.50963 -5.46309 10.6701 23.6994 9.98353 4.88796 TIMING: 1322800 CPU: 4168.83, 0.00312638/step Wall: 4168.83, 0.00312638/step, 3.19343 hours remaining, 238.550781 MB of memory in use. ENERGY: 1322800 3975.1868 20459.6828 14418.3761 225.7778 -203621.1243 2657.4587 0.0000 0.0000 52096.9542 -109787.6879 299.4019 -161884.6422 -109433.1199 299.0839 19.1836 41.1141 760913.5064 -1.5544 -1.6602 PRESSURE: 1323000 -210.719 83.0566 60.9439 83.0567 -188.455 279.129 60.9437 279.129 -469.632 GPRESSURE: 1323000 -247.104 92.5936 38.3924 131.612 -109.651 257.027 23.9313 317.366 -421.364 PRESSAVG: 1323000 -3.57233 43.0254 13.2645 43.0254 -38.2912 -20.2682 13.2645 -20.2683 18.9492 GPRESSAVG: 1323000 -4.95417 42.2044 14.1645 42.6172 -37.9515 -19.5024 14.0167 -19.6074 20.2438 TIMING: 1323000 CPU: 4169.45, 0.00313608/step Wall: 4169.45, 0.00313608/step, 3.20315 hours remaining, 238.550781 MB of memory in use. ENERGY: 1323000 4026.4973 20565.1525 14486.1284 255.6349 -203497.1824 2335.8757 0.0000 0.0000 51951.6725 -109876.2210 298.5670 -161827.8936 -109505.9580 298.6560 -289.6020 -259.3732 763149.4287 -7.6381 -7.5540 PRESSURE: 1323200 -526.618 20.1316 32.2879 20.1324 -359.542 54.8489 32.2884 54.8485 459.891 GPRESSURE: 1323200 -313.673 40.8567 135.079 117.438 -349.732 101.682 -9.04186 41.168 328.236 PRESSAVG: 1323200 7.66248 21.511 35.5666 21.5111 13.5499 41.0554 35.5666 41.0554 5.61952 GPRESSAVG: 1323200 9.89358 21.3515 34.741 20.8697 12.4511 40.6009 33.0169 40.7147 4.76695 TIMING: 1323200 CPU: 4170.08, 0.00312826/step Wall: 4170.08, 0.00312826/step, 3.19499 hours remaining, 238.550781 MB of memory in use. ENERGY: 1323200 3971.9434 20635.3557 14464.7976 240.7832 -203445.9442 2544.5631 0.0000 0.0000 51990.6659 -109597.8353 298.7911 -161588.5011 -109242.8417 299.1913 -142.0898 -111.7230 760947.4471 8.9440 9.0372 PRESSURE: 1323400 -447.956 -260.61 -43.4368 -260.61 -387.713 -93.6086 -43.4372 -93.6081 -226.631 GPRESSURE: 1323400 -661.074 -151.514 -2.697 -240.76 -142.386 -110.817 96.5397 -55.9075 -157.426 PRESSAVG: 1323400 -48.1166 13.9399 12.5341 13.9399 37.5078 -11.6612 12.5341 -11.6612 -26.1773 GPRESSAVG: 1323400 -47.9756 14.3503 12.7557 15.107 37.2585 -11.5295 14.368 -12.5009 -26.1549 TIMING: 1323400 CPU: 4170.71, 0.00313942/step Wall: 4170.71, 0.00313943/step, 3.20623 hours remaining, 238.550781 MB of memory in use. ENERGY: 1323400 3987.2297 20460.8399 14457.2792 232.7251 -203148.0755 2376.5808 0.0000 0.0000 52258.3286 -109375.0922 300.3293 -161633.4208 -109019.0575 299.6481 -354.0996 -320.2953 762198.3167 -12.2620 -12.2907 PRESSURE: 1323600 -216.953 156.226 122.568 156.226 -185.36 -80.0186 122.569 -80.0188 162.483 GPRESSURE: 1323600 -72.7188 51.8504 92.0797 92.1318 -303.54 -103.163 163.413 -85.3329 225.721 PRESSAVG: 1323600 -2.08052 -12.1345 -43.6017 -12.1344 -47.7098 -6.07629 -43.6017 -6.07634 10.1608 GPRESSAVG: 1323600 -2.08063 -11.9634 -42.79 -12.6916 -48.2769 -5.75149 -43.605 -5.11974 10.5462 TIMING: 1323600 CPU: 4171.33, 0.00312912/step Wall: 4171.33, 0.00312912/step, 3.19553 hours remaining, 238.550781 MB of memory in use. ENERGY: 1323600 4073.7165 20330.1574 14581.6391 272.9376 -203653.8972 2746.3329 0.0000 0.0000 52282.0888 -109367.0249 300.4659 -161649.1137 -108997.3668 299.5723 -79.9432 -50.1794 761088.3184 -13.2099 -13.2704 PRESSURE: 1323800 -329.076 9.6251 -164.694 9.62543 -58.877 2.67385 -164.693 2.6748 -216.95 GPRESSURE: 1323800 -369.046 72.7667 -198.369 42.8782 -16.1347 55.1649 -166.037 -58.7669 -133.057 PRESSAVG: 1323800 9.33811 20.6953 -43.4452 20.6954 -34.5822 -27.384 -43.4452 -27.3841 -11.2935 GPRESSAVG: 1323800 9.28761 17.4399 -45.3347 23.4705 -32.8597 -26.8833 -44.0452 -27.9619 -12.6185 TIMING: 1323800 CPU: 4171.96, 0.00313197/step Wall: 4171.96, 0.00313197/step, 3.19826 hours remaining, 238.550781 MB of memory in use. ENERGY: 1323800 4033.4373 20595.7897 14476.9139 242.1450 -203274.9468 2554.0475 0.0000 0.0000 51958.4037 -109414.2097 298.6057 -161372.6134 -109065.1602 299.7371 -201.6345 -172.7458 762652.8598 -12.1792 -12.0635 PRESSURE: 1324000 226.795 -195.25 137.5 -195.249 499.44 62.8749 137.501 62.875 77.5427 GPRESSURE: 1324000 213.712 -69.4005 135.722 -196.021 540.99 32.7396 91.3589 173.757 130.413 PRESSAVG: 1324000 14.7242 -20.6576 -22.6707 -20.6576 23.5492 29.2576 -22.6707 29.2576 6.06686 GPRESSAVG: 1324000 13.5211 -16.731 -20.8803 -23.2078 23.6678 29.0308 -23.6616 30.7673 7.03955 TIMING: 1324000 CPU: 4172.59, 0.00313284/step Wall: 4172.59, 0.00313284/step, 3.19897 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1324000 3966.0494 20364.0161 14471.4035 246.4381 -203669.4789 2952.6309 0.0000 0.0000 52355.9559 -109312.9850 300.8904 -161668.9409 -108950.2142 299.7725 267.9260 295.0383 760574.1889 14.7801 14.7428 PRESSURE: 1324200 48.2276 -15.2577 -54.0223 -15.2581 -64.1874 59.1007 -54.0222 59.1014 -170.94 GPRESSURE: 1324200 39.4506 59.4069 -44.7657 8.7419 26.1004 50.1228 -122.026 62.7289 -152.358 PRESSAVG: 1324200 -44.0833 -11.4802 6.29209 -11.4801 11.0582 3.46481 6.29218 3.46478 -4.38236 GPRESSAVG: 1324200 -44.5109 -12.8766 6.16041 -11.6679 11.1531 3.10798 5.91466 3.66573 -3.75407 TIMING: 1324200 CPU: 4173.21, 0.00312633/step Wall: 4173.21, 0.00312633/step, 3.19216 hours remaining, 238.550781 MB of memory in use. ENERGY: 1324200 4042.2874 20416.3993 14488.5209 267.6153 -203325.6914 2356.7943 0.0000 0.0000 52283.9026 -109470.1714 300.4763 -161754.0740 -109106.9394 299.9137 -62.2998 -28.9355 760034.4009 -12.4692 -12.3706 LDB: ============= START OF LOAD BALANCING ============== 4185.61 LDB: ============== END OF LOAD BALANCING =============== 4185.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4185.61 LDB: ============= START OF LOAD BALANCING ============== 4185.92 LDB: Largest compute 7031 load 0.031603 is 16.1% of average load 0.196118 LDB: Average compute 0.004372 is 2.2% of average load 0.196118 LDB: TIME 4185.93 LOAD: AVG 0.196118 MAX 0.213968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.605 MB LDB: TIME 4185.93 LOAD: AVG 0.196118 MAX 0.213968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 4185.93 LOAD: AVG 0.196118 MAX 0.213968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 4185.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4185.93 PRESSURE: 1324400 129.976 -54.8519 177.756 -54.8523 -117.524 160.386 177.755 160.386 -115.813 GPRESSURE: 1324400 153.824 -48.8501 153.642 -34.1097 -82.5397 55.0267 129.21 215.056 -83.4773 PRESSAVG: 1324400 3.85952 9.36203 45.9838 9.36205 -11.944 -10.3124 45.9838 -10.3123 7.22144 GPRESSAVG: 1324400 6.38828 8.46579 45.1982 8.84866 -11.943 -11.319 48.0952 -11.1138 4.96106 TIMING: 1324400 CPU: 4173.85, 0.00319414/step Wall: 4173.85, 0.00319415/step, 3.26122 hours remaining, 240.660156 MB of memory in use. ENERGY: 1324400 4049.8710 20315.4837 14504.5882 247.1951 -203071.4664 2385.1576 0.0000 0.0000 52070.4946 -109498.6762 299.2498 -161569.1708 -109136.3966 299.1730 -34.4536 -4.0644 759298.4582 -0.2877 -0.1979 PRESSURE: 1324600 -12.6428 -85.3077 12.635 -85.308 47.9709 52.0369 12.6349 52.0361 452.487 GPRESSURE: 1324600 33.9836 -150.424 46.5034 -216.037 -15.7872 -31.0796 28.424 80.0102 531.286 PRESSAVG: 1324600 35.9723 -33.2737 -8.30994 -33.2737 -36.5129 12.6188 -8.30994 12.6187 -15.3334 GPRESSAVG: 1324600 35.1913 -34.2437 -7.83278 -30.8917 -37.366 12.6013 -8.44282 12.1731 -14.2036 TIMING: 1324600 CPU: 4174.48, 0.00313903/step Wall: 4174.48, 0.00313903/step, 3.20477 hours remaining, 240.863281 MB of memory in use. ENERGY: 1324600 3965.2971 20531.6611 14482.1008 250.0722 -203613.9739 2678.8409 0.0000 0.0000 52279.1003 -109426.9014 300.4487 -161706.0017 -109070.1853 299.5115 162.6052 183.1608 759289.8476 -5.2913 -5.4594 PRESSURE: 1324800 -193.619 134.367 152.482 134.367 -181.113 26.3311 152.482 26.3302 -106.806 GPRESSURE: 1324800 -175.019 180.071 234.152 109.12 -114.533 86.8817 4.66752 138.821 -113.008 PRESSAVG: 1324800 6.17287 34.7412 -17.5483 34.7412 -31.7352 17.4711 -17.5483 17.4712 3.62702 GPRESSAVG: 1324800 6.24441 37.2169 -17.4533 33.6202 -32.0024 18.4533 -20.3605 17.2472 4.17046 TIMING: 1324800 CPU: 4175.11, 0.00314022/step Wall: 4175.11, 0.00314022/step, 3.20582 hours remaining, 240.863281 MB of memory in use. ENERGY: 1324800 3998.6363 20435.2510 14441.6680 244.5429 -202665.0747 2276.4258 0.0000 0.0000 51821.5263 -109447.0244 297.8190 -161268.5507 -109076.4937 299.3067 -160.5128 -134.1866 761340.7840 -7.3118 -7.1958 PRESSURE: 1325000 -55.0298 -11.9256 82.9767 -11.9257 16.3173 -40.5326 82.9767 -40.5321 115.243 GPRESSURE: 1325000 14.0979 81.5551 12.7938 -49.2296 65.5265 34.4565 109.063 -107.147 84.8155 PRESSAVG: 1325000 -1.6767 7.84456 -4.7547 7.84464 -22.1091 -43.3668 -4.75465 -43.3669 21.7481 GPRESSAVG: 1325000 -1.81343 6.38158 -4.66699 8.71066 -21.6506 -43.7073 -1.88764 -44.3569 21.4684 TIMING: 1325000 CPU: 4175.73, 0.00313547/step Wall: 4175.73, 0.00313547/step, 3.2008 hours remaining, 240.863281 MB of memory in use. ENERGY: 1325000 3962.9853 20505.5454 14463.5186 274.9065 -203555.4258 2530.9699 0.0000 0.0000 52020.6091 -109796.8909 298.9632 -161817.5000 -109439.8776 298.7834 25.5102 54.8133 760187.7921 -0.6793 -0.6652 PRESSURE: 1325200 -292.081 248.955 -12.9403 248.956 -106.147 -24.2924 -12.9415 -24.2929 137.871 GPRESSURE: 1325200 -256.836 167.568 -47.6507 241.426 -38.504 -84.9898 96.026 135.891 118.102 PRESSAVG: 1325200 -10.3615 22.9783 -11.354 22.9783 -46.6866 33.0107 -11.354 33.0107 -29.9518 GPRESSAVG: 1325200 -10.7114 23.8746 -10.6627 21.5475 -46.7249 34.7598 -10.1101 32.8015 -29.5322 TIMING: 1325200 CPU: 4176.35, 0.00310034/step Wall: 4176.35, 0.00310034/step, 3.16476 hours remaining, 240.863281 MB of memory in use. ENERGY: 1325200 3937.7793 20522.2690 14520.8690 241.7625 -203454.7741 2633.5682 0.0000 0.0000 52131.2585 -109467.2675 299.5991 -161598.5260 -109114.2347 299.5516 -86.7855 -59.0793 760664.9478 -29.0000 -28.9895 PRESSURE: 1325400 65.1669 -4.38643 210.168 -4.38658 20.298 155.366 210.169 155.366 114.914 GPRESSURE: 1325400 133.866 -51.5952 191.564 81.4152 25.1535 150.751 156.184 63.682 122.832 PRESSAVG: 1325400 -28.4336 11.3657 -16.1291 11.3658 43.6478 23.3994 -16.1291 23.3993 -5.63046 GPRESSAVG: 1325400 -27.0987 10.5445 -18.0483 13.5889 43.5005 21.9576 -17.9006 24.2454 -7.0231 TIMING: 1325400 CPU: 4176.98, 0.0031211/step Wall: 4176.98, 0.0031211/step, 3.18578 hours remaining, 240.863281 MB of memory in use. ENERGY: 1325400 3977.9439 20502.3050 14531.1066 244.7797 -203574.6091 2839.4239 0.0000 0.0000 52156.0688 -109322.9811 299.7416 -161479.0499 -108970.1092 298.9337 66.7930 93.9504 760240.4782 3.1946 3.1262 PRESSURE: 1325600 -122.845 121.702 33.4566 121.701 -581.149 -112.122 33.4573 -112.122 -503.842 GPRESSURE: 1325600 -208.584 129.825 30.24 126.079 -400.407 -79.7916 -19.0372 -64.326 -515.509 PRESSAVG: 1325600 25.4323 6.41902 25.1876 6.41907 -28.0487 -41.0725 25.1876 -41.0725 -3.417 GPRESSAVG: 1325600 23.2926 8.51981 26.7592 4.3816 -26.2907 -40.7205 24.4852 -40.6642 -2.75296 TIMING: 1325600 CPU: 4177.6, 0.0031213/step Wall: 4177.6, 0.0031213/step, 3.18581 hours remaining, 240.863281 MB of memory in use. ENERGY: 1325600 4012.0498 20433.2607 14481.5640 228.0062 -203289.0352 2468.7338 0.0000 0.0000 52034.8276 -109630.5931 299.0449 -161665.4207 -109255.0915 298.8264 -402.6117 -374.8337 761890.9181 -2.0111 -1.9170 PRESSURE: 1325800 98.5186 -78.6169 75.4188 -78.6166 121.079 121.532 75.4191 121.532 167.711 GPRESSURE: 1325800 175.859 -109.112 -17.5893 -86.3492 59.0037 100.072 46.9933 77.3857 238.019 PRESSAVG: 1325800 1.6544 30.8243 -18.1963 30.8243 44.0295 50.873 -18.1963 50.8731 9.33446 GPRESSAVG: 1325800 3.32478 30.3557 -18.483 31.3088 42.4675 50.6598 -18.7706 53.2494 9.29723 TIMING: 1325800 CPU: 4178.23, 0.00313937/step Wall: 4178.23, 0.00313937/step, 3.20408 hours remaining, 240.863281 MB of memory in use. ENERGY: 1325800 4008.3234 20425.0178 14511.8774 258.5073 -203088.3814 2443.2564 0.0000 0.0000 51851.7928 -109589.6062 297.9930 -161441.3990 -109234.2027 298.9365 129.1028 157.6272 758883.5542 18.3395 18.3632 PRESSURE: 1326000 -101.055 101.632 -38.9289 101.631 -107.484 0.370437 -38.9286 0.370445 -209.718 GPRESSURE: 1326000 -66.1848 9.70739 -58.6519 125.917 -51.3129 25.6942 -38.341 -111.096 -216.745 PRESSAVG: 1326000 -48.9629 -17.8447 -20.4834 -17.8448 2.105 8.82041 -20.4834 8.82049 9.5348 GPRESSAVG: 1326000 -48.9709 -17.2574 -20.8702 -19.307 2.12381 8.4997 -19.1124 6.93781 9.60492 TIMING: 1326000 CPU: 4178.86, 0.00314596/step Wall: 4178.86, 0.00314596/step, 3.21062 hours remaining, 240.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1326000 3994.9226 20320.1012 14455.4021 242.8195 -202588.7964 2024.6024 0.0000 0.0000 52093.6576 -109457.2910 299.3830 -161550.9486 -109089.7140 298.8672 -139.4190 -111.4141 761058.4597 -12.4410 -12.4140 PRESSURE: 1326200 169.041 -122.203 -18.9902 -122.203 -20.2883 -2.68252 -18.9901 -2.68149 468.813 GPRESSURE: 1326200 250.448 -102.511 24.0992 -72.3435 -44.1725 23.8404 137.704 -25.6827 497.538 PRESSAVG: 1326200 48.7802 -1.66488 17.1819 -1.66485 -38.9602 -16.0251 17.1819 -16.025 -5.66278 GPRESSAVG: 1326200 48.9328 -2.843 17.21 1.25884 -39.8244 -16.6358 17.2211 -15.2965 -5.03059 TIMING: 1326200 CPU: 4179.49, 0.00315103/step Wall: 4179.49, 0.00315103/step, 3.21563 hours remaining, 240.863281 MB of memory in use. ENERGY: 1326200 3902.6864 20424.3880 14448.2042 246.7394 -203446.9959 2612.6435 0.0000 0.0000 52070.7603 -109741.5740 299.2514 -161812.3343 -109372.1177 298.4994 205.8553 234.6044 759817.6846 1.3857 1.3593 PRESSURE: 1326400 398.227 40.9183 76.889 40.9175 287.568 216.97 76.8896 216.969 119.649 GPRESSURE: 1326400 420.068 65.0272 13.8177 -64.2668 337.602 248.329 68.6864 169.244 155.008 PRESSAVG: 1326400 32.723 -29.4189 -10.8645 -29.4188 -11.7578 33.0965 -10.8645 33.0965 2.00114 GPRESSAVG: 1326400 32.4869 -29.7502 -8.47186 -29.6551 -10.965 33.213 -11.9012 33.5927 1.08656 TIMING: 1326400 CPU: 4180.12, 0.0031415/step Wall: 4180.12, 0.0031415/step, 3.20573 hours remaining, 240.863281 MB of memory in use. ENERGY: 1326400 3929.5169 20384.8897 14485.8150 238.5745 -203181.4776 2559.5681 0.0000 0.0000 51787.6464 -109795.4671 297.6243 -161583.1135 -109429.4891 298.1658 268.4816 304.2263 761034.0450 7.6554 7.5362 PRESSURE: 1326600 -46.54 95.8385 22.0906 95.8397 -240.291 66.8743 22.0906 66.8741 72.3352 GPRESSURE: 1326600 1.83069 -2.12573 -58.6207 179.475 -241.899 91.6478 -21.89 38.0901 96.7513 PRESSAVG: 1326600 1.74177 13.8506 5.13082 13.8506 4.80144 -0.510721 5.13082 -0.510747 15.7355 GPRESSAVG: 1326600 1.35282 13.763 3.79829 12.7295 4.55571 0.230751 7.10552 -1.82063 16.216 TIMING: 1326600 CPU: 4180.74, 0.00313188/step Wall: 4180.74, 0.00313188/step, 3.19574 hours remaining, 240.863281 MB of memory in use. ENERGY: 1326600 4026.9070 20571.8390 14525.2729 243.7195 -203111.4913 2247.5353 0.0000 0.0000 52030.9093 -109465.3083 299.0224 -161496.2176 -109099.9573 299.0024 -71.4986 -47.7724 761463.2310 7.4262 7.3749 PRESSURE: 1326800 17.0542 105.677 49.924 105.678 75.5867 -90.8884 49.9243 -90.8871 82.7783 GPRESSURE: 1326800 69.6635 180.938 -49.5294 143.721 75.0652 -162.44 153.049 49.1759 107.95 PRESSAVG: 1326800 2.61972 21.6935 6.99164 21.6936 -43.4221 -14.6277 6.99163 -14.6276 -12.0484 GPRESSAVG: 1326800 1.763 22.3399 5.93967 21.2217 -43.0287 -14.4735 7.33905 -12.4098 -11.9823 TIMING: 1326800 CPU: 4181.37, 0.00313527/step Wall: 4181.37, 0.00313527/step, 3.19902 hours remaining, 240.863281 MB of memory in use. ENERGY: 1326800 3986.2749 20416.7639 14493.0541 260.6821 -203348.6148 2707.8922 0.0000 0.0000 52137.1596 -109346.7879 299.6330 -161483.9476 -108982.4596 299.3537 58.4730 84.2262 761431.9190 -17.6169 -17.7494 PRESSURE: 1327000 109.32 52.7791 225.74 52.778 -175.133 44.6857 225.74 44.6859 136.289 GPRESSURE: 1327000 73.9588 122.607 188.032 60.4406 -41.2238 69.8749 184.498 -75.6017 127.983 PRESSAVG: 1327000 32.2659 23.7521 31.3891 23.7521 -43.8993 -14.8321 31.389 -14.8321 9.86188 GPRESSAVG: 1327000 32.8837 25.3538 33.0772 24.5777 -44.2965 -15.1513 30.2901 -15.2055 9.59739 TIMING: 1327000 CPU: 4182, 0.00314619/step Wall: 4182, 0.00314619/step, 3.20999 hours remaining, 240.863281 MB of memory in use. ENERGY: 1327000 3922.8607 20404.8999 14454.3590 267.7654 -203605.6544 2772.9053 0.0000 0.0000 52151.9866 -109630.8775 299.7182 -161782.8641 -109271.5760 298.6823 23.4920 53.5726 760999.2074 -0.5905 -0.6051 PRESSURE: 1327200 -297.048 -125.598 -11.477 -125.598 -53.2709 195.969 -11.4762 195.968 153.064 GPRESSURE: 1327200 -314.45 -196.44 -64.1296 -149.732 4.19393 151.995 105.683 -16.0146 188.246 PRESSAVG: 1327200 -4.9525 -20.2847 -13.8497 -20.2847 -9.24893 -20.3934 -13.8497 -20.3934 -2.85122 GPRESSAVG: 1327200 -6.08301 -22.3598 -14.7436 -20.2275 -9.08375 -21.2159 -14.1304 -21.184 -2.1144 TIMING: 1327200 CPU: 4182.63, 0.00315368/step Wall: 4182.63, 0.00315368/step, 3.21745 hours remaining, 240.863281 MB of memory in use. ENERGY: 1327200 4057.7253 20358.2734 14457.7888 254.8529 -203427.4856 2613.6061 0.0000 0.0000 52015.0898 -109670.1493 298.9314 -161685.2391 -109312.7429 298.7753 -65.7516 -40.6701 762127.7896 -5.6842 -5.7604 PRESSURE: 1327400 3.51166 -106.547 -61.3661 -106.547 24.1392 -72.1835 -61.3676 -72.1841 18.1357 GPRESSURE: 1327400 86.628 -77.7657 7.54424 -129.891 -10.9082 -160.583 -219.121 -55.3177 42.8513 PRESSAVG: 1327400 20.6069 -51.9278 -55.5046 -51.9278 -9.88031 21.8745 -55.5046 21.8744 2.61889 GPRESSAVG: 1327400 22.0086 -51.4939 -55.499 -51.9677 -11.1003 23.2282 -55.164 23.7981 2.35993 TIMING: 1327400 CPU: 4183.26, 0.00313243/step Wall: 4183.26, 0.00313243/step, 3.1956 hours remaining, 240.863281 MB of memory in use. ENERGY: 1327400 3985.4716 20598.4478 14446.0359 260.6109 -203649.8270 2903.3768 0.0000 0.0000 51992.4706 -109463.4133 298.8014 -161455.8839 -109097.6423 298.6978 15.2622 39.5237 763773.9542 4.4485 4.4227 PRESSURE: 1327600 -184.404 56.8677 -58.218 56.8673 -73.3195 216.13 -58.2186 216.13 -308.765 GPRESSURE: 1327600 -24.3672 87.0382 -59.3163 40.8855 -87.3196 184.479 150.602 67.6192 -358.684 PRESSAVG: 1327600 -37.1844 -26.463 -42.9642 -26.463 7.12243 -2.18917 -42.9643 -2.18916 -24.7745 GPRESSAVG: 1327600 -36.374 -24.8551 -43.989 -24.8247 7.66266 -2.30323 -42.5735 -4.30447 -25.9917 TIMING: 1327600 CPU: 4183.89, 0.00314587/step Wall: 4183.89, 0.00314587/step, 3.20914 hours remaining, 240.863281 MB of memory in use. ENERGY: 1327600 4033.0750 20523.2514 14425.6126 254.7984 -203277.1421 2512.2677 0.0000 0.0000 52037.2975 -109490.8394 299.0591 -161528.1369 -109132.6184 299.0785 -188.8295 -156.7902 762223.2835 -18.2788 -18.2343 PRESSURE: 1327800 -226.585 44.9376 20.7686 44.9378 -334.188 87.6789 20.7681 87.6785 -240.049 GPRESSURE: 1327800 -203.794 50.8853 -21.0513 -13.7304 -245.15 110.309 71.6288 57.2839 -286.159 PRESSAVG: 1327800 18.1985 26.4819 28.2745 26.4818 -9.74118 -0.576076 28.2744 -0.576107 31.0124 GPRESSAVG: 1327800 17.3017 25.0535 29.383 24.5161 -9.40102 -0.916875 28.1219 -2.4853 31.5376 TIMING: 1327800 CPU: 4184.52, 0.00314471/step Wall: 4184.52, 0.00314471/step, 3.20778 hours remaining, 240.863281 MB of memory in use. ENERGY: 1327800 4024.4498 20583.3018 14418.0757 238.9374 -203442.7449 2660.8621 0.0000 0.0000 51957.3655 -109559.7525 298.5997 -161517.1181 -109196.0304 299.2845 -266.9408 -245.0342 761012.0389 13.1566 13.1461 PRESSURE: 1328000 283.524 -295.9 81.2426 -295.9 54.2597 -155.023 81.2423 -155.023 197.476 GPRESSURE: 1328000 250.735 -290.394 -89.1638 -135.995 113.46 -219.459 38.2551 -126.424 259.523 PRESSAVG: 1328000 26.6928 -4.12625 64.8379 -4.12622 -2.28162 -2.06249 64.8379 -2.06246 16.6204 GPRESSAVG: 1328000 26.0669 -4.15417 64.0283 -4.23967 -2.40908 -1.91239 65.6369 0.0633662 17.1825 TIMING: 1328000 CPU: 4185.14, 0.00313863/step Wall: 4185.14, 0.00313863/step, 3.2014 hours remaining, 240.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1328000 4014.5249 20638.3205 14451.2951 247.7763 -202895.6088 2273.4306 0.0000 0.0000 51847.6374 -109422.6240 297.9691 -161270.2614 -109069.7342 299.3217 178.4199 207.9059 760270.6252 13.6772 13.6135 PRESSURE: 1328200 210.991 15.6739 -143.063 15.6723 59.9055 231.426 -143.063 231.426 -212.787 GPRESSURE: 1328200 140.185 13.6586 -103.466 -30.2989 168.092 195.733 -171.529 176.15 -167.446 PRESSAVG: 1328200 66.4437 49.9859 13.8049 49.9859 -49.7277 -9.87952 13.8048 -9.87955 10.4994 GPRESSAVG: 1328200 66.2565 48.9811 14.3944 50.0023 -49.5254 -9.31421 13.172 -9.76501 9.77596 TIMING: 1328200 CPU: 4185.77, 0.00313936/step Wall: 4185.77, 0.00313936/step, 3.20197 hours remaining, 240.863281 MB of memory in use. ENERGY: 1328200 3942.6258 20604.9234 14502.6464 257.6752 -203617.8314 2710.9148 0.0000 0.0000 51963.7694 -109635.2764 298.6365 -161599.0458 -109277.2846 298.7053 19.3700 46.9436 760801.3154 9.0718 8.8357 LDB: ============= START OF LOAD BALANCING ============== 4198.17 LDB: ============== END OF LOAD BALANCING =============== 4198.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4198.17 LDB: ============= START OF LOAD BALANCING ============== 4198.49 LDB: Largest compute 7078 load 0.032382 is 16.5% of average load 0.195963 LDB: Average compute 0.004381 is 2.2% of average load 0.195963 LDB: TIME 4198.49 LOAD: AVG 0.195963 MAX 0.216493 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.18 MB LDB: TIME 4198.49 LOAD: AVG 0.195963 MAX 0.216493 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.18 MB LDB: TIME 4198.49 LOAD: AVG 0.195963 MAX 0.216493 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.18 MB LDB: ============== END OF LOAD BALANCING =============== 4198.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4198.5 PRESSURE: 1328400 -39.5691 -17.3524 -103.354 -17.3529 -608.806 35.1295 -103.354 35.1292 -156.31 GPRESSURE: 1328400 -96.849 -30.833 -203.432 18.5203 -436.228 -17.343 -138.366 -6.65265 -176.289 PRESSAVG: 1328400 32.3436 3.28544 48.4208 3.28548 4.2811 -3.16843 48.4208 -3.16844 2.05926 GPRESSAVG: 1328400 33.0766 5.07413 49.1547 2.6198 4.63396 -2.81685 49.6186 -3.01827 1.29405 TIMING: 1328400 CPU: 4186.41, 0.00321685/step Wall: 4186.41, 0.00321685/step, 3.28083 hours remaining, 239.378906 MB of memory in use. ENERGY: 1328400 4046.1748 20412.4902 14397.2983 238.5096 -203501.7912 2683.4302 0.0000 0.0000 52289.0970 -109434.7911 300.5062 -161723.8881 -109058.4271 299.6354 -268.2286 -236.4554 761354.2513 12.8946 13.0015 PRESSURE: 1328600 185.75 -47.3253 -12.0688 -47.3259 329.141 -48.321 -12.068 -48.3216 -135.335 GPRESSURE: 1328600 178.35 -202.061 -57.1606 -55.6267 459.914 -54.3932 31.54 -50.9163 -192.261 PRESSAVG: 1328600 23.2742 26.4957 -3.94793 26.4958 -2.43959 45.8585 -3.94797 45.8585 0.209256 GPRESSAVG: 1328600 23.3809 26.7784 -3.57827 26.7751 -3.53186 45.2694 -4.76633 44.7342 1.02924 TIMING: 1328600 CPU: 4187.04, 0.00313169/step Wall: 4187.04, 0.00313169/step, 3.1938 hours remaining, 239.445312 MB of memory in use. ENERGY: 1328600 3940.0568 20514.3848 14464.4871 228.3625 -203332.9278 2770.8015 0.0000 0.0000 52366.6443 -109048.1908 300.9518 -161414.8350 -108684.4368 299.8720 126.5183 148.6677 760114.0051 7.0146 6.9594 PRESSURE: 1328800 -71.8738 77.8743 359.79 77.8753 -265.364 -78.6967 359.79 -78.6951 287.1 GPRESSURE: 1328800 -9.65644 213.341 375.426 -63.7985 -164.045 -124.598 386.206 -75.5451 207.32 PRESSAVG: 1328800 27.8511 58.839 24.3037 58.8389 -35.523 2.0233 24.3037 2.02325 13.1652 GPRESSAVG: 1328800 27.2318 57.1781 23.2426 60.4818 -34.7109 2.4403 24.2056 1.81812 13.2026 TIMING: 1328800 CPU: 4187.67, 0.00314797/step Wall: 4187.67, 0.00314797/step, 3.21023 hours remaining, 239.445312 MB of memory in use. ENERGY: 1328800 4008.3527 20682.3576 14453.3102 245.1095 -202934.0265 2313.6245 0.0000 0.0000 52132.1790 -109099.0931 299.6043 -161231.2721 -108746.3039 300.2863 -16.7126 11.2061 760820.6530 1.8311 1.9079 PRESSURE: 1329000 176.766 -39.4429 76.0083 -39.4424 -25.9331 -14.7984 76.008 -14.7988 -9.60288 GPRESSURE: 1329000 166.319 -10.1212 143.75 -45.2006 73.8978 11.1757 -5.38859 -17.3774 -6.99224 PRESSAVG: 1329000 48.1053 4.85885 -3.12682 4.85879 -3.64257 14.3796 -3.12684 14.3797 5.26834 GPRESSAVG: 1329000 47.8216 7.10017 -2.27071 3.574 -2.70869 14.1857 -2.84358 15.2551 4.65117 TIMING: 1329000 CPU: 4188.3, 0.00313714/step Wall: 4188.3, 0.00313714/step, 3.19901 hours remaining, 239.445312 MB of memory in use. ENERGY: 1329000 3988.3612 20464.7764 14458.0559 263.9493 -202769.5837 2266.5717 0.0000 0.0000 52227.7629 -109100.1063 300.1537 -161327.8692 -108730.5456 300.0516 47.0768 77.7417 760225.2254 16.5770 16.5880 PRESSURE: 1329200 -99.5362 174.191 64.8669 174.191 -220.824 66.9985 64.8663 66.999 -486.693 GPRESSURE: 1329200 -29.8845 206.238 -87.4746 161.881 -208.124 106.005 106.623 98.0628 -488.603 PRESSAVG: 1329200 37.5669 -10.0054 55.5093 -10.0054 -34.9456 -11.8618 55.5093 -11.8618 -26.1563 GPRESSAVG: 1329200 38.2071 -12.0556 54.3517 -9.06641 -37.052 -13.4844 53.9054 -10.0826 -24.7112 TIMING: 1329200 CPU: 4188.93, 0.00314706/step Wall: 4188.93, 0.00314706/step, 3.20896 hours remaining, 239.445312 MB of memory in use. ENERGY: 1329200 3945.5947 20556.3092 14454.2103 252.0310 -202590.3948 2189.9784 0.0000 0.0000 52166.9608 -109025.3103 299.8042 -161192.2712 -108662.0539 299.9094 -269.0177 -242.2037 761378.1217 -7.8450 -7.8520 PRESSURE: 1329400 -33.9297 38.4485 -4.90692 38.4479 -233.425 -120.068 -4.90751 -120.069 175.382 GPRESSURE: 1329400 13.7085 -24.3577 122.513 77.2853 -161.609 -119.703 -15.2368 -93.803 152.381 PRESSAVG: 1329400 33.0587 52.8842 21.6526 52.8843 -40.5619 -18.2979 21.6526 -18.2978 13.2607 GPRESSAVG: 1329400 31.93 52.1186 22.8215 52.316 -38.9181 -17.2883 24.2143 -18.9161 12.6839 TIMING: 1329400 CPU: 4189.56, 0.00314825/step Wall: 4189.56, 0.00314825/step, 3.20999 hours remaining, 239.445312 MB of memory in use. ENERGY: 1329400 4004.8973 20553.6413 14401.6213 257.3640 -203062.4599 2421.2855 0.0000 0.0000 52090.5126 -109333.1379 299.3649 -161423.6505 -108974.6050 299.8264 -30.6576 1.4935 761353.2154 1.9192 1.8986 PRESSURE: 1329600 -23.8596 -12.9314 242.801 -12.9313 233.27 65.9296 242.801 65.9277 -414.684 GPRESSURE: 1329600 9.95418 61.7096 244.11 36.9067 230.365 115.829 130.467 71.0562 -373.502 PRESSAVG: 1329600 16.4381 -70.7501 49.253 -70.7501 -26.1987 -37.7692 49.253 -37.7691 12.1899 GPRESSAVG: 1329600 15.7457 -68.2301 50.8376 -69.886 -26.1344 -38.0073 46.4642 -37.8504 12.6388 TIMING: 1329600 CPU: 4190.19, 0.00316254/step Wall: 4190.19, 0.00316254/step, 3.22439 hours remaining, 239.445312 MB of memory in use. ENERGY: 1329600 3941.1948 20494.6590 14465.7069 254.9654 -203262.8397 2527.4839 0.0000 0.0000 52026.7415 -109552.0883 298.9984 -161578.8298 -109188.6968 298.8293 -68.4243 -44.3942 760268.3287 0.8098 0.7500 PRESSURE: 1329800 163.809 -160.008 -61.1248 -160.009 -313.784 -27.2021 -61.1247 -27.2011 -530.78 GPRESSURE: 1329800 178.246 -235.834 -146.655 -123.457 -215.015 -1.76802 -68.1379 -43.5925 -569.328 PRESSAVG: 1329800 53.8464 16.5029 42.1174 16.5029 -28.1222 -27.575 42.1174 -27.575 1.31547 GPRESSAVG: 1329800 54.6543 13.8776 39.3764 16.6621 -29.044 -26.511 44.5941 -30.1165 1.22707 TIMING: 1329800 CPU: 4190.82, 0.00314863/step Wall: 4190.82, 0.00314863/step, 3.21003 hours remaining, 239.445312 MB of memory in use. ENERGY: 1329800 3967.4137 20366.1335 14417.5909 248.5973 -202929.4618 2316.4856 0.0000 0.0000 52106.3678 -109506.8731 299.4560 -161613.2408 -109139.0587 298.9656 -226.9185 -202.0321 760081.0584 9.0132 8.9458 PRESSURE: 1330000 -86.2998 -24.1304 135.687 -24.1302 190.216 151.177 135.687 151.178 185.328 GPRESSURE: 1330000 -99.6214 -16.7755 51.1546 -76.9259 296.049 192.636 189.638 7.02604 187.654 PRESSAVG: 1330000 -12.0705 -24.1616 12.1938 -24.1616 17.28 -2.1324 12.1938 -2.13239 -4.80867 GPRESSAVG: 1330000 -12.3571 -23.9565 12.0575 -22.7919 17.7672 -3.2093 13.6259 -0.870383 -5.06951 TIMING: 1330000 CPU: 4191.45, 0.00313923/step Wall: 4191.45, 0.00313923/step, 3.20027 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1330000 3951.7549 20388.4095 14484.7592 233.2971 -202923.1533 2286.2208 0.0000 0.0000 51985.6011 -109593.1106 298.7620 -161578.7117 -109235.6260 298.7263 96.4147 128.0270 758434.7881 0.1336 0.1135 PRESSURE: 1330200 -37.0047 84.236 24.6066 84.2371 -36.9753 239.54 24.6075 239.54 247.968 GPRESSURE: 1330200 6.76588 48.0758 1.54352 76.194 -96.0847 276.573 21.3758 75.8485 325.201 PRESSAVG: 1330200 -17.9694 15.2764 -19.9059 15.2764 26.4027 85.0832 -19.9059 85.0832 -9.17332 GPRESSAVG: 1330200 -16.7811 14.448 -18.7413 14.4099 24.351 85.8225 -22.4012 84.7272 -9.09147 TIMING: 1330200 CPU: 4192.07, 0.00313689/step Wall: 4192.07, 0.00313689/step, 3.19771 hours remaining, 239.445312 MB of memory in use. ENERGY: 1330200 3962.8898 20307.6154 14458.7015 266.6697 -202849.4190 2172.6648 0.0000 0.0000 51969.4450 -109711.4329 298.6691 -161680.8779 -109347.6134 298.8318 57.9961 78.6274 760613.6488 -0.2467 -0.5072 PRESSURE: 1330400 3.19755 -35.1576 -94.7077 -35.1585 233.524 -70.618 -94.7074 -70.6182 -355.922 GPRESSURE: 1330400 91.8707 -61.3689 -75.2687 -114.609 227.321 -107.089 -105.698 18.5352 -343.928 PRESSAVG: 1330400 -16.431 -7.26725 0.985689 -7.26725 9.83618 80.5171 0.985634 80.5172 8.27205 GPRESSAVG: 1330400 -17.4449 -5.67254 -0.378834 -6.74754 10.9883 80.6707 1.92969 82.9646 8.27038 TIMING: 1330400 CPU: 4192.7, 0.00314788/step Wall: 4192.7, 0.00314788/step, 3.20874 hours remaining, 239.445312 MB of memory in use. ENERGY: 1330400 3983.1120 20425.9823 14462.6192 240.3234 -203103.5826 2510.7647 0.0000 0.0000 51913.7118 -109567.0692 298.3488 -161480.7810 -109219.3566 298.8430 -39.7334 -8.2457 760794.8708 0.5591 0.6046 PRESSURE: 1330600 134.626 -11.3011 108.725 -11.2996 -211.222 -60.9378 108.725 -60.939 -79.6198 GPRESSURE: 1330600 145.546 -73.6224 162.919 -21.2694 -170.626 -45.9596 261.233 -128.599 -39.2234 PRESSAVG: 1330600 -52.8285 -6.98236 -40.3106 -6.98236 0.333796 35.4073 -40.3105 35.4073 -5.39049 GPRESSAVG: 1330600 -53.1277 -6.72018 -38.706 -7.92274 0.585274 34.4836 -39.4057 36.5328 -5.85179 TIMING: 1330600 CPU: 4193.33, 0.00314238/step Wall: 4193.33, 0.00314238/step, 3.20296 hours remaining, 239.445312 MB of memory in use. ENERGY: 1330600 4061.9841 20267.7755 14506.5580 245.3648 -202919.5538 2340.4480 0.0000 0.0000 52071.5237 -109425.8997 299.2558 -161497.4234 -109060.8848 299.1900 -52.0718 -21.4345 761863.2309 -19.2951 -19.4648 PRESSURE: 1330800 -338.755 196.396 52.4975 196.396 -155.474 -105.721 52.4978 -105.721 -182.827 GPRESSURE: 1330800 -235.397 232.423 33.0271 153.436 -173.442 -134.83 2.76102 -228.374 -190.858 PRESSAVG: 1330800 97.1825 6.05935 -29.0858 6.05937 -34.7672 39.5995 -29.0857 39.5994 16.0901 GPRESSAVG: 1330800 97.6963 7.25669 -30.0938 5.94586 -35.199 39.4921 -29.3766 36.4842 16.3695 TIMING: 1330800 CPU: 4193.96, 0.00313706/step Wall: 4193.96, 0.00313706/step, 3.19737 hours remaining, 239.445312 MB of memory in use. ENERGY: 1330800 3980.2762 20309.3754 14475.6929 264.8207 -202900.7392 2267.6433 0.0000 0.0000 52135.5553 -109467.3754 299.6238 -161602.9307 -109109.1558 299.4943 -225.6852 -199.8987 762774.0977 26.1685 26.2889 PRESSURE: 1331000 199.442 -4.02831 -120.623 -4.02802 -176.24 37.7849 -120.623 37.7837 105.269 GPRESSURE: 1331000 146.132 35.1625 -141.824 -43.6636 -8.98549 -121.526 -66.9376 97.6319 94.2624 PRESSAVG: 1331000 42.2853 -6.21599 14.4275 -6.21596 -26.1356 25.6816 14.4275 25.6815 -5.79744 GPRESSAVG: 1331000 39.8817 -7.48895 14.2396 -5.22718 -24.9581 24.9263 13.9119 27.8421 -5.44985 TIMING: 1331000 CPU: 4194.59, 0.00313244/step Wall: 4194.59, 0.00313244/step, 3.19248 hours remaining, 239.445312 MB of memory in use. ENERGY: 1331000 3965.0622 20483.7915 14384.1636 246.9916 -203080.9681 2643.1003 0.0000 0.0000 51947.0862 -109410.7726 298.5406 -161357.8589 -109057.8614 299.2830 42.8237 77.1364 760580.6015 3.4508 3.1579 PRESSURE: 1331200 227.082 149.72 248.233 149.719 387.846 109.534 248.233 109.534 -342.884 GPRESSURE: 1331200 307.866 80.2024 235.398 63.6855 348.536 99.0804 297.202 65.9181 -310.993 PRESSAVG: 1331200 -47.2986 45.4355 24.4833 45.4355 18.7267 3.33314 24.4832 3.33312 3.56935 GPRESSAVG: 1331200 -45.8967 46.3116 25.7194 44.5221 17.2929 4.15123 22.8176 1.09345 3.85694 TIMING: 1331200 CPU: 4195.22, 0.00314528/step Wall: 4195.22, 0.00314528/step, 3.20539 hours remaining, 239.445312 MB of memory in use. ENERGY: 1331200 3972.7045 20550.1036 14459.3877 262.8696 -202935.2056 2464.6298 0.0000 0.0000 51518.4868 -109707.0236 296.0775 -161225.5104 -109352.9904 298.8545 90.6813 115.1366 760304.0071 -8.3342 -8.2490 PRESSURE: 1331400 -162.814 -145.83 -29.0095 -145.83 -46.4384 -19.4341 -29.009 -19.4337 -70.8504 GPRESSURE: 1331400 -22.2191 -184.256 19.0723 -201.291 -49.5995 -25.5256 -159.59 -25.0834 -140.902 PRESSAVG: 1331400 61.497 -59.4201 12.1922 -59.4201 -8.13502 30.6147 12.1923 30.6148 -9.26704 GPRESSAVG: 1331400 61.9474 -59.3014 11.463 -59.094 -8.24266 31.3168 14.2253 30.2083 -9.6636 TIMING: 1331400 CPU: 4195.85, 0.00315896/step Wall: 4195.85, 0.00315896/step, 3.21915 hours remaining, 239.445312 MB of memory in use. ENERGY: 1331400 4016.7859 20376.6122 14393.0919 251.3650 -203416.8654 2748.6563 0.0000 0.0000 51651.6901 -109978.6640 296.8430 -161630.3541 -109627.5461 297.8070 -93.3675 -70.9070 760417.2480 14.6983 14.6804 PRESSURE: 1331600 -396.377 -4.31343 -86.0961 -4.31318 -168.144 238.648 -86.0963 238.647 -231.135 GPRESSURE: 1331600 -433.217 -48.1989 -98.6043 -2.92494 -104.929 249.39 -49.6808 291.372 -159.409 PRESSAVG: 1331600 -2.74674 1.13521 -22.4957 1.13522 -16.906 -13.0105 -22.4957 -13.0104 -3.77523 GPRESSAVG: 1331600 -4.65129 1.98614 -21.8138 0.297624 -15.3825 -12.2993 -23.7861 -13.734 -3.11123 TIMING: 1331600 CPU: 4196.48, 0.00314129/step Wall: 4196.48, 0.00314129/step, 3.20097 hours remaining, 239.445312 MB of memory in use. ENERGY: 1331600 3971.2837 20335.9613 14462.1588 257.4153 -203330.4749 2609.8136 0.0000 0.0000 51810.6966 -109883.1456 297.7568 -161693.8422 -109522.3798 298.1115 -265.2186 -232.5183 761595.0137 -7.8093 -7.7150 PRESSURE: 1331800 383.973 -146.066 152.021 -146.066 -100.197 80.9108 152.02 80.9103 -478.64 GPRESSURE: 1331800 412.163 -81.0135 183.916 -240.211 -18.5902 -6.27532 -3.6822 -13.242 -485.639 PRESSAVG: 1331800 40.4493 -6.22882 -9.19933 -6.22884 -32.4627 -31.8256 -9.1993 -31.8256 4.47667 GPRESSAVG: 1331800 43.3571 -8.74147 -9.84517 -6.02245 -33.9607 -32.3932 -7.94247 -30.9237 3.68859 TIMING: 1331800 CPU: 4197.1, 0.00313931/step Wall: 4197.1, 0.00313931/step, 3.19878 hours remaining, 239.445312 MB of memory in use. ENERGY: 1331800 3901.2212 20140.1524 14493.2305 229.9950 -203627.7627 2833.0897 0.0000 0.0000 52066.4052 -109963.6687 299.2263 -162030.0738 -109589.3053 298.2480 -64.9547 -30.6890 761079.1013 4.1544 4.3617 PRESSURE: 1332000 -266.471 175.942 -107.043 175.941 -84.4418 126.62 -107.043 126.621 -301.538 GPRESSURE: 1332000 -308.847 147.606 -136.634 157.433 11.6895 173.667 -45.297 288.494 -247.91 PRESSAVG: 1332000 -5.71952 23.2057 -6.15329 23.2057 31.054 -6.59399 -6.15333 -6.59396 24.1112 GPRESSAVG: 1332000 -7.62556 23.8866 -7.49762 23.4389 31.9048 -7.07815 -3.09684 -3.74718 25.2278 TIMING: 1332000 CPU: 4197.73, 0.0031336/step Wall: 4197.73, 0.0031336/step, 3.19279 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1332000 3986.3017 20278.3534 14481.1931 244.7164 -203295.6430 2545.8371 0.0000 0.0000 51905.9049 -109853.3363 298.3039 -161759.2412 -109500.8869 298.0486 -217.4838 -181.6892 762230.5312 16.4819 16.5024 PRESSURE: 1332200 -9.6113 -24.3689 -113.427 -24.3686 -226.611 175.655 -113.427 175.655 -553.06 GPRESSURE: 1332200 15.8497 2.66196 -142.953 21.5555 -215.899 83.7298 -110.018 142.503 -520.845 PRESSAVG: 1332200 -64.3682 5.82713 -0.162577 5.82704 69.8359 5.43464 -0.162588 5.43467 -9.55068 GPRESSAVG: 1332200 -64.2817 6.19634 2.07397 6.47269 69.6263 4.91607 -3.12375 3.52283 -9.25524 TIMING: 1332200 CPU: 4198.36, 0.00313726/step Wall: 4198.36, 0.00313726/step, 3.19634 hours remaining, 239.445312 MB of memory in use. ENERGY: 1332200 4019.7929 20556.0242 14466.3013 250.1621 -203266.3129 2436.9216 0.0000 0.0000 51806.5866 -109730.5242 297.7332 -161537.1108 -109378.6181 298.4852 -263.0942 -240.2981 762119.3307 -1.3610 -1.3036 LDB: ============= START OF LOAD BALANCING ============== 4210.75 LDB: ============== END OF LOAD BALANCING =============== 4210.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4210.76 LDB: ============= START OF LOAD BALANCING ============== 4211.07 LDB: Largest compute 7078 load 0.034168 is 17.4% of average load 0.196115 LDB: Average compute 0.004351 is 2.2% of average load 0.196115 LDB: TIME 4211.07 LOAD: AVG 0.196115 MAX 0.215625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.812 MB LDB: TIME 4211.07 LOAD: AVG 0.196115 MAX 0.215625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.812 MB LDB: TIME 4211.07 LOAD: AVG 0.196115 MAX 0.215625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.812 MB LDB: ============== END OF LOAD BALANCING =============== 4211.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4211.08 PRESSURE: 1332400 45.6397 54.2096 225.439 54.2095 -60.6711 -57.3336 225.438 -57.3336 -394.858 GPRESSURE: 1332400 94.5211 33.2567 297.023 30.4219 -11.3113 -94.3148 69.8164 -204.716 -394.844 PRESSAVG: 1332400 1.87302 13.6109 -1.20128 13.6109 -3.96668 -35.9579 -1.20134 -35.9579 13.514 GPRESSAVG: 1332400 3.47568 12.9375 -2.08674 13.0886 -4.26662 -34.5214 -2.1289 -34.728 12.3184 TIMING: 1332400 CPU: 4199, 0.0032085/step Wall: 4199, 0.0032085/step, 3.26875 hours remaining, 237.835938 MB of memory in use. ENERGY: 1332400 3953.5064 20359.9615 14537.2669 229.1280 -202951.9893 2419.7576 0.0000 0.0000 51898.9077 -109553.4611 298.2637 -161452.3688 -109194.9020 298.8504 -136.6297 -103.8781 761972.5854 3.8068 3.8425 PRESSURE: 1332600 223.724 -52.4525 -75.314 -52.4527 217.457 -15.3575 -75.3142 -15.3577 -270.011 GPRESSURE: 1332600 112.064 -128.344 -119.212 -142.06 323.511 7.86566 -164.462 18.4772 -165.492 PRESSAVG: 1332600 -9.80532 8.20884 33.9265 8.2088 12.8563 15.8806 33.9266 15.8806 2.49096 GPRESSAVG: 1332600 -10.9759 8.94894 33.6091 5.96111 13.1862 15.4845 34.0263 15.6777 3.44536 TIMING: 1332600 CPU: 4199.63, 0.00314492/step Wall: 4199.63, 0.00314492/step, 3.2038 hours remaining, 237.875000 MB of memory in use. ENERGY: 1332600 3985.8033 20398.8121 14393.6129 235.7321 -203264.9203 2616.5191 0.0000 0.0000 51999.1721 -109635.2687 298.8400 -161634.4408 -109283.1107 298.6838 57.0568 90.0277 761247.2638 1.8473 1.8852 PRESSURE: 1332800 -305.401 17.7569 15.3764 17.7564 -198.339 -25.8563 15.3764 -25.8558 -218.543 GPRESSURE: 1332800 -221.308 72.9793 -82.8318 46.6083 -185.729 -73.861 152.236 64.9057 -222.75 PRESSAVG: 1332800 13.1103 34.261 13.1158 34.261 -31.5233 -16.4082 13.1158 -16.4082 21.2883 GPRESSAVG: 1332800 13.1159 34.1209 13.2637 36.2948 -31.6983 -14.4888 15.0004 -17.1648 21.4258 TIMING: 1332800 CPU: 4200.25, 0.00313414/step Wall: 4200.25, 0.00313414/step, 3.19265 hours remaining, 237.875000 MB of memory in use. ENERGY: 1332800 3923.9860 20486.6421 14518.9304 235.4503 -203668.5109 2556.9110 0.0000 0.0000 52033.0511 -109913.5400 299.0347 -161946.5911 -109557.6370 298.4280 -240.7611 -209.9290 761323.4055 0.9584 0.9478 PRESSURE: 1333000 -222.132 -59.3775 -76.596 -59.3765 -578.526 -333.658 -76.5963 -333.659 -319.644 GPRESSURE: 1333000 -218.745 0.655955 -49.2121 -173.364 -551.359 -342.723 -5.72199 -146.347 -257.205 PRESSAVG: 1333000 -11.3619 6.76899 9.33692 6.76901 27.0843 -35.3725 9.33692 -35.3724 -9.62253 GPRESSAVG: 1333000 -12.6412 5.38548 8.74383 8.12621 27.4135 -34.4392 8.99734 -37.5897 -8.27858 TIMING: 1333000 CPU: 4200.88, 0.00312779/step Wall: 4200.88, 0.00312779/step, 3.186 hours remaining, 238.078125 MB of memory in use. ENERGY: 1333000 3942.5641 20417.1368 14500.0275 251.7806 -203383.8518 2439.4004 0.0000 0.0000 52178.2493 -109654.6931 299.8691 -161832.9424 -109297.5148 298.4612 -373.4342 -342.4365 761669.0729 2.0333 2.1646 PRESSURE: 1333200 -50.7963 -66.9411 72.098 -66.9412 79.1784 65.0888 72.0979 65.0882 138.984 GPRESSURE: 1333200 0.63107 -19.4114 -27.1295 -190.735 112.421 56.5172 143.078 -10.6052 143.389 PRESSAVG: 1333200 0.377084 -29.7707 -8.10347 -29.7707 30.6803 -41.8672 -8.10347 -41.8672 1.26752 GPRESSAVG: 1333200 0.507981 -26.4423 -7.30876 -31.1265 32.36 -44.0506 -8.7855 -40.0262 -0.255358 TIMING: 1333200 CPU: 4201.51, 0.00313995/step Wall: 4201.51, 0.00313995/step, 3.19821 hours remaining, 238.078125 MB of memory in use. ENERGY: 1333200 4015.8258 20572.1718 14400.3784 265.4027 -203630.6511 2528.8750 0.0000 0.0000 51970.1924 -109877.8049 298.6734 -161847.9973 -109517.1451 298.6357 55.7887 85.4801 760423.5818 10.7750 10.8709 PRESSURE: 1333400 -47.047 264.656 54.1036 264.656 405.943 199.346 54.1032 199.346 181.546 GPRESSURE: 1333400 35.6943 162.416 48.0447 206.681 359.662 173.212 75.9645 167.4 241.99 PRESSAVG: 1333400 -46.6281 0.654237 31.7384 0.654273 14.4541 -3.60175 31.7385 -3.60183 -6.28654 GPRESSAVG: 1333400 -46.0543 -0.61344 31.8692 -0.28549 13.6821 -4.64339 30.9582 -3.41588 -5.94204 TIMING: 1333400 CPU: 4202.14, 0.00315073/step Wall: 4202.14, 0.00315073/step, 3.20902 hours remaining, 238.078125 MB of memory in use. ENERGY: 1333400 3953.2695 20359.5162 14413.6815 252.6565 -203982.7058 2739.6750 0.0000 0.0000 52272.2033 -109991.7039 300.4091 -162263.9072 -109626.3814 298.4408 180.1470 212.4486 760692.5641 -12.8202 -12.7714 PRESSURE: 1333600 27.3607 -185.386 26.8013 -185.386 -549.787 -4.93416 26.8007 -4.93374 -228.889 GPRESSURE: 1333600 95.1363 -150.234 -58.4958 -247.009 -510.684 -1.27513 39.1937 109.412 -258.228 PRESSAVG: 1333600 -12.9208 13.7173 -0.926685 13.7173 3.20242 16.033 -0.926715 16.033 7.82565 GPRESSAVG: 1333600 -13.063 14.2877 -0.988626 15.7486 2.82432 16.9777 -0.159708 15.9302 7.43708 TIMING: 1333600 CPU: 4202.77, 0.00314276/step Wall: 4202.77, 0.00314276/step, 3.20073 hours remaining, 238.078125 MB of memory in use. ENERGY: 1333600 4040.3311 20349.9502 14454.9409 258.5945 -203297.1722 2384.5978 0.0000 0.0000 51928.3137 -109880.4439 298.4327 -161808.7577 -109517.3088 298.4628 -250.4384 -224.5918 761703.4742 -0.6309 -0.9339 PRESSURE: 1333800 -533.856 90.3973 299.622 90.3973 127.184 191.787 299.622 191.788 -13.6296 GPRESSURE: 1333800 -555.43 52.8048 264.997 162.011 191.813 227.515 231.923 144.111 32.3492 PRESSAVG: 1333800 7.21873 11.7989 24.3333 11.7989 0.077196 -19.1026 24.3333 -19.1026 -11.0123 GPRESSAVG: 1333800 7.45301 10.2291 24.2664 11.4234 0.730017 -19.1549 26.4754 -17.9352 -11.255 TIMING: 1333800 CPU: 4203.39, 0.00311565/step Wall: 4203.39, 0.00311565/step, 3.17294 hours remaining, 238.078125 MB of memory in use. ENERGY: 1333800 3911.1426 20556.8878 14427.9989 255.2914 -203109.3421 2237.6769 0.0000 0.0000 51881.7824 -109838.5621 298.1653 -161720.3445 -109485.9700 298.6521 -140.1004 -110.4227 760773.3892 -1.2388 -1.0240 PRESSURE: 1334000 -301.123 -45.0048 -74.3277 -45.0037 -109.052 -227.726 -74.3271 -227.726 113.595 GPRESSURE: 1334000 -344.93 21.3401 -123.841 -135.494 -86.525 -191.137 23.1805 -187.931 219.412 PRESSAVG: 1334000 -78.3621 5.79242 65.4766 5.79251 65.3803 4.36362 65.4766 4.36358 10.3012 GPRESSAVG: 1334000 -77.2965 7.41006 63.9102 5.28552 63.4952 4.3585 64.2534 4.89348 11.0173 TIMING: 1334000 CPU: 4204.02, 0.00313744/step Wall: 4204.02, 0.00313744/step, 3.19496 hours remaining, 238.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1334000 4001.9055 20532.1985 14461.8683 268.0083 -203613.9267 2781.7106 0.0000 0.0000 51924.8565 -109643.3790 298.4129 -161568.2354 -109286.5060 298.8991 -98.8599 -70.6811 760734.6241 -0.8935 -0.9280 PRESSURE: 1334200 299.205 -7.16607 36.7259 -7.16652 -101.644 -9.41154 36.7264 -9.41087 -18.0343 GPRESSURE: 1334200 207.562 -34.9346 49.5802 -65.2051 51.7984 -69.5433 -82.7686 -67.3147 -14.2413 PRESSAVG: 1334200 -52.412 -16.7007 -14.6512 -16.7008 28.7089 -8.9673 -14.6511 -8.96729 -4.17724 GPRESSAVG: 1334200 -51.7148 -15.9142 -12.4231 -15.156 29.2953 -10.5414 -15.9986 -10.2588 -5.34075 TIMING: 1334200 CPU: 4204.65, 0.00317524/step Wall: 4204.65, 0.00317524/step, 3.23328 hours remaining, 238.078125 MB of memory in use. ENERGY: 1334200 3960.6152 20705.3356 14486.1750 230.9788 -203566.9294 2737.9692 0.0000 0.0000 51878.9633 -109566.8923 298.1491 -161445.8555 -109206.8879 298.5136 59.8422 81.7065 760880.7965 -9.2935 -9.2534 PRESSURE: 1334400 14.9339 116.517 -215.869 116.517 -74.8063 -132.204 -215.869 -132.203 104.344 GPRESSURE: 1334400 -67.5037 70.2894 -123.421 -23.2013 93.7847 -122.485 -326.77 -56.5374 100.996 PRESSAVG: 1334400 -18.2625 -43.7651 16.4005 -43.765 -11.3186 10.8345 16.4005 10.8344 8.04449 GPRESSAVG: 1334400 -18.8618 -44.3548 16.7965 -46.526 -9.59444 12.6939 15.649 7.40218 7.30647 TIMING: 1334400 CPU: 4205.28, 0.00315215/step Wall: 4205.28, 0.00315215/step, 3.20959 hours remaining, 238.078125 MB of memory in use. ENERGY: 1334400 3973.1634 20631.1364 14479.3391 255.4701 -203647.9485 2844.0303 0.0000 0.0000 51944.9146 -109519.8944 298.5281 -161464.8090 -109161.9218 299.1077 14.8238 42.4258 762432.7675 -7.1789 -7.0499 PRESSURE: 1334600 64.3707 -119.274 267.129 -119.274 -108.066 11.696 267.13 11.6954 297.459 GPRESSURE: 1334600 104.432 -93.7469 271.547 -35.5939 -141.565 99.836 261.124 121.084 368.628 PRESSAVG: 1334600 2.0984 -6.90473 39.9929 -6.90478 -1.39853 -4.60372 39.9929 -4.60372 -0.619273 GPRESSAVG: 1334600 1.30468 -8.48535 38.7725 -6.31193 -1.18552 -3.0486 40.2738 -1.20951 0.532502 TIMING: 1334600 CPU: 4205.91, 0.00315183/step Wall: 4205.91, 0.00315183/step, 3.20909 hours remaining, 238.078125 MB of memory in use. ENERGY: 1334600 3951.4433 20667.0177 14436.3629 235.0422 -203320.8450 2703.4487 0.0000 0.0000 51931.3285 -109396.2016 298.4501 -161327.5301 -109043.6857 299.2785 84.5878 110.4983 762982.5674 0.0269 0.2172 PRESSURE: 1334800 -28.2711 -177.092 72.4403 -177.092 -477.854 -70.949 72.4406 -70.9492 335.598 GPRESSURE: 1334800 -28.3979 -56.3149 -33.8528 -175.248 -374.602 -1.39702 26.2962 -70.5953 318.805 PRESSAVG: 1334800 -10.5525 -54.1292 19.092 -54.1291 7.79265 -7.36133 19.092 -7.36124 5.19539 GPRESSAVG: 1334800 -9.62529 -52.6621 19.4301 -53.8801 7.04111 -9.58349 19.9457 -6.95454 5.59531 TIMING: 1334800 CPU: 4206.54, 0.00315381/step Wall: 4206.54, 0.00315381/step, 3.21093 hours remaining, 238.078125 MB of memory in use. ENERGY: 1334800 4040.3650 20443.3047 14479.3514 260.0194 -202992.7642 2448.4133 0.0000 0.0000 52056.2217 -109265.0886 299.1678 -161321.3104 -108904.5172 299.1650 -56.8424 -28.0648 761464.2084 0.8119 1.0037 PRESSURE: 1335000 370.165 -225.292 166.33 -225.292 192.479 150.707 166.329 150.706 509.901 GPRESSURE: 1335000 367.369 -203.272 129.825 -48.742 259.206 167.163 89.9181 -12.5055 510.189 PRESSAVG: 1335000 -10.0715 -61.1966 5.91683 -61.1965 20.2477 2.47573 5.91674 2.47577 3.30602 GPRESSAVG: 1335000 -9.17328 -60.6158 7.12834 -61.9028 20.8135 4.2619 3.77183 1.46086 2.05321 TIMING: 1335000 CPU: 4207.17, 0.00313955/step Wall: 4207.17, 0.00313955/step, 3.19624 hours remaining, 238.078125 MB of memory in use. ENERGY: 1335000 3934.5701 20642.4764 14437.9510 229.9516 -203775.6477 3167.0976 0.0000 0.0000 52027.6735 -109335.9276 299.0038 -161363.6011 -108972.7238 299.0384 357.5151 378.9214 761332.5993 4.4941 4.5645 PRESSURE: 1335200 -203.689 60.4945 84.178 60.4942 -277.151 -12.1123 84.1769 -12.1129 417.583 GPRESSURE: 1335200 -119.857 -20.167 68.09 93.7697 -266.59 -5.70144 136.229 -78.3469 408.284 PRESSAVG: 1335200 -4.2716 -28.6131 -12.4777 -28.613 -3.83631 -18.0928 -12.4776 -18.0929 -2.17411 GPRESSAVG: 1335200 -4.09511 -30.7074 -13.8373 -28.8948 -4.75363 -19.5037 -10.7303 -17.8249 -1.34147 TIMING: 1335200 CPU: 4207.8, 0.00311721/step Wall: 4207.8, 0.00311721/step, 3.17332 hours remaining, 238.078125 MB of memory in use. ENERGY: 1335200 3980.5275 20491.7366 14443.7543 245.6313 -202886.6882 2394.3211 0.0000 0.0000 51994.1804 -109336.5371 298.8113 -161330.7175 -108966.4352 299.3026 -21.0859 7.2791 761414.2210 -3.4273 -3.3967 PRESSURE: 1335400 -164.807 -219.577 159.036 -219.577 207.144 -82.8591 159.034 -82.859 -111.554 GPRESSURE: 1335400 -64.1851 -245.173 166.107 -141.884 209.34 -91.8886 84.8255 131.9 -148.797 PRESSAVG: 1335400 -46.1067 -26.5499 10.2351 -26.55 8.72956 39.2184 10.2351 39.2184 0.673127 GPRESSAVG: 1335400 -46.531 -24.6513 10.2981 -25.4396 7.09479 40.1672 12.6813 38.7335 2.23464 TIMING: 1335400 CPU: 4208.42, 0.00311903/step Wall: 4208.42, 0.00311903/step, 3.175 hours remaining, 238.078125 MB of memory in use. ENERGY: 1335400 3965.4413 20629.8768 14424.6340 233.0148 -203464.6107 2924.1443 0.0000 0.0000 51734.7607 -109552.7389 297.3204 -161287.4995 -109190.3062 298.9415 -23.0726 -1.2137 763197.3466 -12.2347 -12.4005 PRESSURE: 1335600 -50.9228 -238.802 -79.0097 -238.801 138.723 74.2232 -79.0097 74.2231 420.576 GPRESSURE: 1335600 17.2862 -206.6 -24.6931 -105.603 197.15 -44.87 -121.147 81.3863 360.305 PRESSAVG: 1335600 -34.5415 -13.9963 39.05 -13.9963 19.6915 20.4102 39.05 20.4102 9.95632 GPRESSAVG: 1335600 -34.1859 -15.3474 39.5475 -14.4857 20.3584 20.1788 36.7053 21.1469 9.04502 TIMING: 1335600 CPU: 4209.05, 0.00313438/step Wall: 4209.05, 0.00313438/step, 3.19045 hours remaining, 238.078125 MB of memory in use. ENERGY: 1335600 3985.5314 20476.2634 14442.0663 256.7108 -203403.6060 2689.7821 0.0000 0.0000 52052.1023 -109501.1497 299.1441 -161553.2520 -109136.6661 298.7053 169.4589 191.5804 762325.0572 -1.6312 -1.5941 PRESSURE: 1335800 -88.2833 -35.3821 -72.0617 -35.3816 39.6882 -209.513 -72.0607 -209.513 38.8517 GPRESSURE: 1335800 -43.9743 36.3393 36.7887 -71.8652 107.991 -201.946 -140.284 -235.105 31.2169 PRESSAVG: 1335800 12.544 -29.1944 -15.3576 -29.1943 -18.3697 4.60128 -15.3575 4.60124 30.6423 GPRESSAVG: 1335800 11.7567 -27.989 -17.0996 -28.6206 -17.7266 3.66715 -13.382 7.15263 31.2996 TIMING: 1335800 CPU: 4209.67, 0.00313755/step Wall: 4209.67, 0.00313755/step, 3.19351 hours remaining, 238.078125 MB of memory in use. ENERGY: 1335800 4025.6223 20424.1113 14528.9693 251.6115 -203527.8024 2832.5675 0.0000 0.0000 52091.9664 -109372.9541 299.3732 -161464.9204 -109009.8647 299.3583 -3.2478 31.7446 763004.3897 8.2722 8.4432 PRESSURE: 1336000 114.464 -106.907 -132.11 -106.907 -296.632 100.603 -132.111 100.602 -140.943 GPRESSURE: 1336000 108.97 -52.8756 -144.784 25.179 -211.127 118.723 -116.584 3.28046 -146.21 PRESSAVG: 1336000 -2.74279 33.338 -34.226 33.3381 23.2832 21.0208 -34.226 21.0209 20.3782 GPRESSAVG: 1336000 -1.90012 31.682 -32.5201 32.7761 22.9128 22.7834 -35.4591 19.0599 19.5278 TIMING: 1336000 CPU: 4210.3, 0.00312069/step Wall: 4210.3, 0.00312069/step, 3.17616 hours remaining, 238.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1336000 4012.0015 20429.4183 14467.2329 272.1455 -203788.8950 2824.4022 0.0000 0.0000 52115.9485 -109667.7461 299.5111 -161783.6946 -109299.8603 299.1036 -107.7037 -82.7889 761910.8576 13.6395 13.5135 PRESSURE: 1336200 -101.816 -245.394 127.686 -245.395 -320.464 249.301 127.685 249.301 -217.63 GPRESSURE: 1336200 -51.3966 -169.283 55.1673 -156.853 -337.085 188.377 61.6575 252.45 -197.985 PRESSAVG: 1336200 5.72876 21.8137 -11.9836 21.8137 20.1208 -56.4431 -11.9836 -56.4431 10.6855 GPRESSAVG: 1336200 4.89249 23.1124 -10.1414 22.9649 20.2912 -58.0293 -13.2293 -57.9163 11.1091 TIMING: 1336200 CPU: 4210.92, 0.00312053/step Wall: 4210.92, 0.00312053/step, 3.17583 hours remaining, 238.078125 MB of memory in use. ENERGY: 1336200 4085.3826 20438.2601 14508.8125 256.0181 -203680.4973 2689.4008 0.0000 0.0000 51946.0783 -109756.5451 298.5348 -161702.6234 -109397.1561 298.5805 -213.3036 -195.4889 760967.9571 12.1784 12.0976 LDB: ============= START OF LOAD BALANCING ============== 4223.32 LDB: ============== END OF LOAD BALANCING =============== 4223.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4223.32 LDB: ============= START OF LOAD BALANCING ============== 4223.64 LDB: Largest compute 7056 load 0.030729 is 15.7% of average load 0.196008 LDB: Average compute 0.004353 is 2.2% of average load 0.196008 LDB: TIME 4223.64 LOAD: AVG 0.196008 MAX 0.218087 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.836 MB LDB: TIME 4223.64 LOAD: AVG 0.196008 MAX 0.218087 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: TIME 4223.64 LOAD: AVG 0.196008 MAX 0.218087 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: ============== END OF LOAD BALANCING =============== 4223.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4223.65 PRESSURE: 1336400 152.991 215.88 -45.9635 215.88 -183.812 149.203 -45.9641 149.203 18.9979 GPRESSURE: 1336400 170.947 111.896 -91.1758 119.875 -190.116 159.178 -15.0802 60.982 82.2734 PRESSAVG: 1336400 -14.9126 14.6474 3.28792 14.6474 33.2551 -10.6881 3.28793 -10.6881 -2.33801 GPRESSAVG: 1336400 -13.281 13.3674 2.43211 11.9727 32.631 -11.0367 2.35606 -9.1742 -2.87354 TIMING: 1336400 CPU: 4211.57, 0.00322031/step Wall: 4211.57, 0.00322031/step, 3.2772 hours remaining, 238.347656 MB of memory in use. ENERGY: 1336400 4016.0926 20444.9680 14494.5834 253.8014 -203531.6203 2667.6124 0.0000 0.0000 52087.1227 -109567.4398 299.3454 -161654.5625 -109209.2271 298.8724 -3.9412 21.0347 761221.0567 5.3348 5.4922 PRESSURE: 1336600 -183.639 -271.393 214.087 -271.393 -26.9417 -277.827 214.087 -277.828 105.291 GPRESSURE: 1336600 -170.9 -268.722 214.732 -220.447 -2.31901 -150.308 79.9814 -310.094 142.399 PRESSAVG: 1336600 -36.8979 29.7107 67.8881 29.7107 -16.41 41.2665 67.8881 41.2664 -3.38297 GPRESSAVG: 1336600 -36.738 31.9145 66.4454 30.3429 -16.6915 41.3067 66.6826 41.2154 -2.76998 TIMING: 1336600 CPU: 4212.2, 0.00314581/step Wall: 4212.2, 0.00314581/step, 3.20121 hours remaining, 238.550781 MB of memory in use. ENERGY: 1336600 3938.1075 20578.0467 14443.0046 225.1464 -203681.7797 2807.8278 0.0000 0.0000 51956.0350 -109733.6117 298.5920 -161689.6467 -109369.7367 298.6800 -35.0965 -10.2734 761424.6736 -18.8970 -18.7331 PRESSURE: 1336800 -143.093 -165.833 28.577 -165.833 -6.48752 221.485 28.5754 221.485 223.309 GPRESSURE: 1336800 9.49039 -114.777 64.4419 -192.861 0.197637 168.903 35.399 233.786 173.134 PRESSAVG: 1336800 15.4814 -10.9997 -30.1525 -10.9997 4.58793 -7.69894 -30.1525 -7.69897 -1.82498 GPRESSAVG: 1336800 14.9272 -13.5591 -29.6831 -9.13261 5.42846 -7.8574 -25.3066 -6.9308 -2.16541 TIMING: 1336800 CPU: 4212.82, 0.00312756/step Wall: 4212.82, 0.00312756/step, 3.18246 hours remaining, 238.550781 MB of memory in use. ENERGY: 1336800 4013.1776 20556.8934 14355.5469 252.6822 -203407.1526 2795.7554 0.0000 0.0000 51823.2114 -109609.8856 297.8287 -161433.0970 -109252.6357 298.4448 24.5763 60.9406 762204.3297 6.0815 6.0634 PRESSURE: 1337000 -102.15 108.245 -71.2653 108.245 -224.424 -145.039 -71.2664 -145.039 94.4409 GPRESSURE: 1337000 -74.4347 94.1892 -5.64344 107.299 -206.238 -216.444 -50.9726 -6.70886 145.277 PRESSAVG: 1337000 -39.8279 -44.7905 3.62155 -44.7905 -21.2209 33.4999 3.62154 33.4999 -21.3859 GPRESSAVG: 1337000 -38.5111 -43.2674 4.33998 -45.0851 -22.2577 33.4957 2.60869 31.8453 -20.9734 TIMING: 1337000 CPU: 4213.45, 0.00312839/step Wall: 4213.45, 0.00312839/step, 3.18313 hours remaining, 238.550781 MB of memory in use. ENERGY: 1337000 4022.5151 20563.9064 14501.7884 235.9515 -203442.5674 2635.2715 0.0000 0.0000 51910.3873 -109572.7473 298.3297 -161483.1345 -109210.8634 298.3815 -77.3778 -45.1317 762285.2218 -27.4782 -27.2474 PRESSURE: 1337200 -180.407 9.36163 11.0234 9.36153 -170.368 -193.761 11.0236 -193.76 -27.8285 GPRESSURE: 1337200 -164.501 -22.0174 -17.0253 -80.2244 -166.472 -243.351 13.9793 -152.501 33.269 PRESSAVG: 1337200 51.2407 -17.0504 4.89076 -17.0503 1.98054 40.6061 4.89074 40.606 7.46585 GPRESSAVG: 1337200 50.1324 -15.9606 4.31987 -17.0967 3.31966 41.1358 1.38988 42.034 6.81439 TIMING: 1337200 CPU: 4214.07, 0.00311779/step Wall: 4214.07, 0.00311779/step, 3.17218 hours remaining, 238.550781 MB of memory in use. ENERGY: 1337200 3967.4428 20484.0409 14454.9283 236.9934 -203474.6714 2616.9172 0.0000 0.0000 52129.6772 -109584.6715 299.5900 -161714.3487 -109227.2432 298.9404 -126.2009 -99.2346 763019.6756 20.2290 20.0888 PRESSURE: 1337400 35.5135 183.776 5.51137 183.777 -330.766 -50.5723 5.51153 -50.5716 94.4339 GPRESSURE: 1337400 12.2492 176.162 65.1377 220.599 -296.335 -172.61 -0.755085 32.6771 173.691 PRESSAVG: 1337400 18.0627 14.3841 -40.506 14.3841 -31.1777 -13.9849 -40.506 -13.985 -17.6689 GPRESSAVG: 1337400 19.0006 13.1878 -41.4494 15.446 -31.6505 -13.7702 -40.5114 -12.9343 -18.2483 TIMING: 1337400 CPU: 4214.69, 0.00312012/step Wall: 4214.69, 0.00312012/step, 3.17437 hours remaining, 238.550781 MB of memory in use. ENERGY: 1337400 4025.7126 20478.0634 14455.3806 249.4051 -203240.7097 2674.7615 0.0000 0.0000 51966.9936 -109390.3931 298.6550 -161357.3866 -109039.4161 298.7887 -66.9396 -36.7983 761922.1711 -10.2613 -10.2994 PRESSURE: 1337600 75.399 -141.877 -89.0622 -141.878 -72.3253 23.2633 -89.063 23.2614 17.8227 GPRESSURE: 1337600 79.2377 -148.281 -68.8212 -98.9753 3.95018 47.2658 -89.7777 34.1176 -6.94448 PRESSAVG: 1337600 80.792 19.3484 -16.298 19.3484 -36.2743 -15.0529 -16.2979 -15.0529 -22.1844 GPRESSAVG: 1337600 80.6124 20.3145 -16.503 19.4998 -35.7369 -14.4102 -13.6725 -15.865 -23.0641 TIMING: 1337600 CPU: 4215.32, 0.00313585/step Wall: 4215.32, 0.00313585/step, 3.1902 hours remaining, 238.550781 MB of memory in use. ENERGY: 1337600 3996.1616 20390.4240 14414.5089 235.9381 -203297.3696 2729.8697 0.0000 0.0000 51984.2819 -109546.1854 298.7544 -161530.4673 -109179.5296 298.8191 6.9655 25.4145 761519.2910 7.4444 7.2705 PRESSURE: 1337800 129.229 42.2086 -32.1196 42.2079 -200.161 99.5978 -32.1194 99.5982 -98.646 GPRESSURE: 1337800 53.2986 -95.8215 -78.3738 -18.7876 -14.5334 68.57 13.6426 52.9834 -111.651 PRESSAVG: 1337800 -0.772645 -9.44215 -43.8833 -9.44213 -20.1491 -6.94287 -43.8833 -6.94286 0.171826 GPRESSAVG: 1337800 -2.23083 -9.74081 -43.892 -12.4965 -20.0539 -6.97362 -44.4619 -8.41451 1.47225 TIMING: 1337800 CPU: 4215.95, 0.0031379/step Wall: 4215.95, 0.0031379/step, 3.19211 hours remaining, 238.550781 MB of memory in use. ENERGY: 1337800 4063.4087 20469.8618 14415.1376 250.6544 -203281.2720 2419.6678 0.0000 0.0000 52070.0663 -109592.4754 299.2474 -161662.5416 -109244.9254 298.5293 -56.5262 -24.2954 760014.1752 -6.9166 -6.9375 PRESSURE: 1338000 -346.659 -149.238 -1.72026 -149.237 120.471 -89.0163 -1.72028 -89.0168 -135.273 GPRESSURE: 1338000 -281.876 -148.49 -44.0234 -137.593 41.2676 -74.2341 69.9957 -57.6721 -57.1226 PRESSAVG: 1338000 -31.2718 6.88765 -32.1742 6.88763 27.7512 -15.6042 -32.1742 -15.6042 17.3958 GPRESSAVG: 1338000 -30.9727 7.26205 -30.2109 9.23842 27.7478 -15.3621 -32.5295 -14.6193 17.215 TIMING: 1338000 CPU: 4216.58, 0.00314974/step Wall: 4216.58, 0.00314974/step, 3.20398 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1338000 3971.3562 20556.7671 14491.2915 229.8804 -203072.7711 2410.8162 0.0000 0.0000 51774.2269 -109638.4329 297.5472 -161412.6598 -109280.1290 298.7757 -120.4869 -99.2437 760878.6163 4.6251 4.6634 PRESSURE: 1338200 201.902 124.05 -230.381 124.05 -176.5 146.464 -230.38 146.462 -120.969 GPRESSURE: 1338200 197.026 204.82 -279.201 152.148 -134.006 151.73 -190.905 185.963 -94.3099 PRESSAVG: 1338200 108.109 30.4974 -77.9064 30.4975 -63.2338 59.1057 -77.9065 59.1058 2.31646 GPRESSAVG: 1338200 107.729 30.7828 -79.57 30.2015 -62.9543 57.303 -77.4942 59.745 2.38129 TIMING: 1338200 CPU: 4217.21, 0.00314361/step Wall: 4217.21, 0.00314361/step, 3.19757 hours remaining, 238.550781 MB of memory in use. ENERGY: 1338200 3971.8805 20321.4848 14470.1508 242.6515 -203332.8969 2538.5453 0.0000 0.0000 52264.4280 -109523.7561 300.3644 -161788.1840 -109161.0846 298.6014 -31.8554 -10.4298 760645.9545 15.7306 15.7187 PRESSURE: 1338400 80.1351 -134.493 -37.3827 -134.492 252.33 -14.1676 -37.3821 -14.1694 282.239 GPRESSURE: 1338400 99.2292 -43.7547 -53.52 -80.7934 269.45 38.1485 36.1814 -81.1337 325.926 PRESSAVG: 1338400 37.1393 17.2242 -37.6103 17.2242 -66.178 19.0242 -37.6102 19.0243 20.6845 GPRESSAVG: 1338400 37.0198 20.0589 -38.9373 18.509 -67.0876 19.883 -38.1715 19.0006 21.5082 TIMING: 1338400 CPU: 4217.84, 0.00314263/step Wall: 4217.84, 0.00314263/step, 3.1964 hours remaining, 238.550781 MB of memory in use. ENERGY: 1338400 3913.4705 20596.9037 14397.2310 267.4910 -203219.5039 2648.1647 0.0000 0.0000 52065.5156 -109330.7273 299.2212 -161396.2430 -108969.3125 298.7159 204.9014 231.5353 759600.2878 -2.7847 -2.8532 PRESSURE: 1338600 174.312 -79.0272 0.340399 -79.0272 112.88 191.764 0.340262 191.763 111.202 GPRESSURE: 1338600 214.01 -40.6157 -91.5733 -69.6465 190.475 143.083 66.2411 225.792 78.526 PRESSAVG: 1338600 -12.9222 60.0285 -58.3332 60.0285 -20.1498 35.1982 -58.3332 35.1981 29.3027 GPRESSAVG: 1338600 -11.9645 57.9127 -58.5385 59.5856 -19.21 34.7978 -55.4485 37.8355 27.6458 TIMING: 1338600 CPU: 4218.47, 0.00314779/step Wall: 4218.47, 0.00314779/step, 3.20148 hours remaining, 238.550781 MB of memory in use. ENERGY: 1338600 3919.3687 20486.0196 14428.6043 241.7557 -203226.5377 2781.8357 0.0000 0.0000 51855.5667 -109513.3871 298.0147 -161368.9538 -109163.3284 299.0534 132.7982 161.0038 759755.7605 -1.2564 -1.1762 PRESSURE: 1338800 129.449 -275.374 -103.193 -275.374 301.283 134.948 -103.192 134.947 171.259 GPRESSURE: 1338800 235 -267.621 -55.3147 -86.2896 230.357 176.377 -210.016 82.3829 213.737 PRESSAVG: 1338800 76.844 45.3076 -15.6871 45.3077 -108.142 -3.66744 -15.6871 -3.66736 -8.59739 GPRESSAVG: 1338800 77.1012 47.2002 -16.5945 43.6964 -109.434 -2.48921 -16.2695 -6.07258 -7.51069 TIMING: 1338800 CPU: 4219.09, 0.00313957/step Wall: 4219.09, 0.00313957/step, 3.19294 hours remaining, 238.550781 MB of memory in use. ENERGY: 1338800 3943.4847 20244.0430 14463.4068 263.5562 -203025.4803 2459.2984 0.0000 0.0000 51912.7590 -109738.9322 298.3433 -161651.6912 -109375.1330 298.3646 200.6634 226.3644 760028.9455 -13.2983 -13.2813 PRESSURE: 1339000 -257.941 105.033 -187.935 105.033 -112.215 -59.9558 -187.934 -59.9559 -91.1887 GPRESSURE: 1339000 -292.852 78.3432 -183.577 34.1957 -0.346336 -134.237 -44.591 -109.814 -92.2034 PRESSAVG: 1339000 -28.395 -20.512 -4.91245 -20.512 -27.5015 -26.3529 -4.91242 -26.353 21.1086 GPRESSAVG: 1339000 -28.3037 -21.8931 -1.33822 -19.693 -26.2119 -27.9215 -6.1452 -25.2231 19.4138 TIMING: 1339000 CPU: 4219.72, 0.00314677/step Wall: 4219.72, 0.00314677/step, 3.20009 hours remaining, 238.550781 MB of memory in use. ENERGY: 1339000 3961.4838 20301.3996 14372.6192 221.8084 -203412.6783 2621.0141 0.0000 0.0000 51952.8060 -109981.5472 298.5735 -161934.3532 -109623.0975 298.1597 -153.7817 -128.4671 762125.9256 -11.5960 -11.7006 PRESSURE: 1339200 317.689 -136.514 -102.511 -136.514 -77.8113 -316.43 -102.511 -316.43 298.901 GPRESSURE: 1339200 271.325 -161.869 -53.3986 -155.336 -8.08151 -240.877 20.8268 -339.816 354.447 PRESSAVG: 1339200 97.0897 1.21275 -14.6266 1.2127 -45.2274 -28.6309 -14.6266 -28.6309 -6.27541 GPRESSAVG: 1339200 96.9031 -1.25969 -15.0031 0.317697 -45.6904 -28.2382 -14.966 -29.5116 -5.37896 TIMING: 1339200 CPU: 4220.35, 0.00314464/step Wall: 4220.35, 0.00314464/step, 3.19775 hours remaining, 238.550781 MB of memory in use. ENERGY: 1339200 3975.9114 20272.6805 14379.4906 241.5425 -203546.0000 2736.5481 0.0000 0.0000 51960.0044 -109979.8225 298.6149 -161939.8269 -109617.7768 298.1191 179.5929 205.8965 759909.6678 15.1956 15.2779 PRESSURE: 1339400 9.97287 -12.72 228.963 -12.7196 -44.781 98.032 228.962 98.0327 122.351 GPRESSURE: 1339400 -38.0324 6.30048 132.1 1.5468 25.9537 29.4674 255.77 185.446 182.026 PRESSAVG: 1339400 5.95045 -27.178 14.3542 -27.1779 -13.3887 -45.5779 14.3541 -45.5779 2.46437 GPRESSAVG: 1339400 5.51286 -25.9955 13.7565 -24.1628 -12.5715 -44.9157 13.3951 -43.7361 2.31921 TIMING: 1339400 CPU: 4220.98, 0.00314515/step Wall: 4220.98, 0.00314515/step, 3.19809 hours remaining, 238.550781 MB of memory in use. ENERGY: 1339400 3979.1172 20292.7622 14357.7007 243.6597 -203390.4686 2730.8944 0.0000 0.0000 51916.5872 -109869.7472 298.3653 -161786.3344 -109521.1960 297.7867 29.1810 56.6490 760736.8755 -1.6580 -1.5798 PRESSURE: 1339600 -117.735 -79.8437 0.295078 -79.8437 167.493 23.9498 0.294987 23.9511 -64.8488 GPRESSURE: 1339600 -99.6083 -9.35583 16.7177 -41.2528 117.776 63.6729 -62.5382 18.763 53.4272 PRESSAVG: 1339600 58.3944 5.46525 8.87393 5.46526 -54.0294 15.4149 8.87388 15.415 -3.94029 GPRESSAVG: 1339600 57.2331 5.45952 7.16464 5.01073 -53.7169 16.4765 9.40271 14.0902 -3.31276 TIMING: 1339600 CPU: 4221.61, 0.00314086/step Wall: 4221.61, 0.00314086/step, 3.19356 hours remaining, 238.550781 MB of memory in use. ENERGY: 1339600 4010.2499 20383.8594 14452.4056 253.4485 -203420.6606 2835.8736 0.0000 0.0000 51830.4333 -109654.3903 297.8702 -161484.8236 -109300.0615 298.2490 -5.0303 23.8648 761273.0524 0.1416 0.0678 PRESSURE: 1339800 -299.926 -89.2563 18.5167 -89.2559 -198.86 91.0585 18.5161 91.0578 -113.293 GPRESSURE: 1339800 -290.472 -133.672 -3.7909 -79.708 -146.972 133.183 13.7598 -4.11743 -96.0069 PRESSAVG: 1339800 49.1973 -29.1358 37.5683 -29.1358 -33.2094 5.53061 37.5683 5.53058 52.237 GPRESSAVG: 1339800 52.2152 -28.2697 38.2487 -30.2256 -34.6344 5.49796 38.2022 4.6885 50.5912 TIMING: 1339800 CPU: 4222.23, 0.00312599/step Wall: 4222.23, 0.00312599/step, 3.17826 hours remaining, 238.550781 MB of memory in use. ENERGY: 1339800 4008.9166 20479.9425 14420.3830 252.7705 -203507.6457 2596.9458 0.0000 0.0000 52213.9809 -109534.7063 300.0745 -161748.6872 -109170.3388 298.6151 -204.0261 -177.8169 760998.3937 22.7416 22.7240 PRESSURE: 1340000 -126.592 -95.7307 30.5847 -95.7311 -104.528 -67.2657 30.5848 -67.265 128.251 GPRESSURE: 1340000 -18.6672 -267.497 43.6268 -157.621 -47.7633 -131.198 36.4508 -99.3666 55.5723 PRESSAVG: 1340000 33.4793 -9.9339 -15.6163 -9.93386 -64.925 -49.2046 -15.6163 -49.2045 -10.0833 GPRESSAVG: 1340000 32.3208 -12.0937 -15.4069 -9.50156 -64.543 -49.8826 -14.5617 -50.1282 -8.46859 TIMING: 1340000 CPU: 4222.86, 0.00315212/step Wall: 4222.86, 0.00315212/step, 3.20466 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1340000 4012.7441 20557.0997 14494.4827 243.4441 -203143.6892 2467.5716 0.0000 0.0000 51832.4321 -109535.9148 297.8817 -161368.3469 -109172.5199 298.9934 -34.2897 -3.6194 760417.9928 -13.8430 -13.5636 PRESSURE: 1340200 -62.0587 105.304 -294.4 105.305 -273.842 -108.766 -294.399 -108.765 130.608 GPRESSURE: 1340200 -172.638 46.6351 -289.687 75.5237 -138.007 -137.169 -252.964 -130.229 153.699 PRESSAVG: 1340200 -27.8995 12.7291 -31.3187 12.729 -5.23579 -9.68441 -31.3187 -9.68444 -2.77776 GPRESSAVG: 1340200 -27.9098 13.1411 -31.0349 12.2087 -4.6518 -10.2438 -31.3106 -7.45485 -3.53402 TIMING: 1340200 CPU: 4223.49, 0.00314545/step Wall: 4223.49, 0.00314545/step, 3.1977 hours remaining, 238.550781 MB of memory in use. ENERGY: 1340200 3957.9376 20478.5008 14440.9807 235.1143 -203291.8849 2517.9276 0.0000 0.0000 51958.2206 -109703.2034 298.6046 -161661.4240 -109335.5344 298.7031 -68.4312 -52.3155 761128.0787 -11.9710 -12.0319 LDB: ============= START OF LOAD BALANCING ============== 4235.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4235.89 LDB: =============== DONE WITH MIGRATION ================ 4235.89 LDB: ============= START OF LOAD BALANCING ============== 4236.21 LDB: Largest compute 7056 load 0.030778 is 15.7% of average load 0.195952 LDB: Average compute 0.004383 is 2.2% of average load 0.195952 LDB: TIME 4236.21 LOAD: AVG 0.195952 MAX 0.219931 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.324 MB LDB: TIME 4236.21 LOAD: AVG 0.195952 MAX 0.219931 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: TIME 4236.21 LOAD: AVG 0.195952 MAX 0.215185 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: ============== END OF LOAD BALANCING =============== 4236.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4236.22 PRESSURE: 1340400 -165.522 112.716 148.441 112.716 -181.13 39.6203 148.441 39.62 -336.601 GPRESSURE: 1340400 -205.999 80.8045 -14.9302 90.6088 -108.64 -2.71749 170.762 -57.1084 -289.995 PRESSAVG: 1340400 -9.39245 -61.4087 -16.5521 -61.4086 -7.29558 -39.0055 -16.5521 -39.0056 19.7842 GPRESSAVG: 1340400 -9.46218 -61.7845 -18.6492 -60.4213 -8.70275 -40.0868 -15.9825 -40.1012 21.5595 TIMING: 1340400 CPU: 4224.13, 0.0032048/step Wall: 4224.13, 0.00320479/step, 3.25785 hours remaining, 237.324219 MB of memory in use. ENERGY: 1340400 4046.2185 20501.7202 14450.6673 241.0246 -203584.5020 2581.6773 0.0000 0.0000 52103.9285 -109659.2655 299.4420 -161763.1940 -109299.5150 298.9036 -227.7510 -201.5447 761692.0533 1.0320 1.1315 PRESSURE: 1340600 -298.28 -13.5235 -275.626 -13.5224 -171.835 -116.015 -275.626 -116.015 140.591 GPRESSURE: 1340600 -304.808 36.8638 -182.662 59.5818 -57.7388 -87.3896 -248.547 -175.23 141.069 PRESSAVG: 1340600 -33.2403 -44.3852 -53.9964 -44.3852 -1.88849 -18.0167 -53.9965 -18.0167 -16.6834 GPRESSAVG: 1340600 -32.7972 -43.3779 -52.4791 -44.9586 -2.04737 -17.4954 -55.6451 -16.794 -16.43 TIMING: 1340600 CPU: 4224.76, 0.00312275/step Wall: 4224.76, 0.00312275/step, 3.17427 hours remaining, 237.324219 MB of memory in use. ENERGY: 1340600 3984.8684 20433.6064 14462.6275 265.7312 -203417.8183 2472.7443 0.0000 0.0000 52087.0114 -109711.2291 299.3448 -161798.2405 -109338.8614 299.1689 -109.8412 -73.8259 761381.8697 -17.2707 -17.0915 PRESSURE: 1340800 -86.1542 16.8557 -186.637 16.8553 306.372 -53.7265 -186.637 -53.7268 444.836 GPRESSURE: 1340800 -31.932 145.539 -139.112 14.587 402.859 -92.6278 -206.786 -33.5216 396.099 PRESSAVG: 1340800 3.77685 -28.8103 17.1276 -28.8103 -44.2737 -14.7768 17.1276 -14.7768 4.4259 GPRESSAVG: 1340800 3.28474 -27.2634 18.7311 -29.4764 -43.1587 -14.5614 18.6773 -15.6015 4.35124 TIMING: 1340800 CPU: 4225.39, 0.00313237/step Wall: 4225.39, 0.00313237/step, 3.18388 hours remaining, 237.324219 MB of memory in use. ENERGY: 1340800 4026.3455 20399.5112 14410.2667 236.3369 -203592.2737 2665.8349 0.0000 0.0000 51929.7680 -109924.2105 298.4411 -161853.9785 -109565.2569 298.2693 221.6843 255.6752 760677.0153 -12.0236 -11.8409 PRESSURE: 1341000 -60.392 125.586 172.327 125.585 214.088 -67.2825 172.327 -67.2814 266.764 GPRESSURE: 1341000 48.833 135.434 296.491 45.1476 134.334 7.70019 82.07 -124.198 327.21 PRESSAVG: 1341000 24.0271 -34.7205 46.587 -34.7206 4.27669 -32.2783 46.5869 -32.2783 -2.43679 GPRESSAVG: 1341000 24.9131 -36.2301 46.1074 -35.1042 3.28795 -32.0009 43.9282 -32.1265 -2.5837 TIMING: 1341000 CPU: 4226.01, 0.00314066/step Wall: 4226.01, 0.00314066/step, 3.19213 hours remaining, 237.324219 MB of memory in use. ENERGY: 1341000 3948.2571 20551.9291 14463.5235 234.2990 -203748.7033 2858.8884 0.0000 0.0000 51885.1559 -109806.6503 298.1847 -161691.8062 -109459.4941 298.9702 140.1531 170.1259 761499.5359 8.6223 8.5391 PRESSURE: 1341200 -116.04 2.45841 -29.9569 2.45855 34.674 70.6164 -29.9569 70.6178 142.476 GPRESSURE: 1341200 32.5502 -33.4155 -10.3931 69.3502 -80.6593 118.777 -62.0689 61.8589 203.912 PRESSAVG: 1341200 11.3043 -12.3299 -60.1019 -12.3299 -35.2441 11.7729 -60.102 11.773 -9.81495 GPRESSAVG: 1341200 11.9622 -11.6783 -60.3132 -10.9545 -35.6333 11.8195 -60.9088 12.2181 -9.80102 TIMING: 1341200 CPU: 4226.64, 0.0031376/step Wall: 4226.64, 0.0031376/step, 3.18885 hours remaining, 237.324219 MB of memory in use. ENERGY: 1341200 3977.8522 20485.4290 14446.3782 228.7489 -203456.9881 2899.8697 0.0000 0.0000 51806.4722 -109612.2379 297.7325 -161418.7100 -109244.3214 298.5812 20.3700 51.9342 763458.9543 -11.2516 -11.1574 PRESSURE: 1341400 -213.008 217.367 191.474 217.367 -28.833 -166.967 191.474 -166.966 119.842 GPRESSURE: 1341400 -237.623 132.417 152.245 218.06 49.7218 -206.166 -26.8344 -160.485 141.838 PRESSAVG: 1341400 -17.3825 5.97668 23.6711 5.97665 27.7471 -6.03754 23.6711 -6.03756 -4.2921 GPRESSAVG: 1341400 -17.4658 4.64093 24.0996 5.48935 28.5126 -5.43243 26.5882 -6.85497 -4.42679 TIMING: 1341400 CPU: 4227.27, 0.00314451/step Wall: 4227.27, 0.00314451/step, 3.19569 hours remaining, 237.324219 MB of memory in use. ENERGY: 1341400 4069.7117 20549.6633 14500.9414 258.5393 -203502.0863 2502.3030 0.0000 0.0000 51956.1631 -109664.7646 298.5928 -161620.9277 -109303.3908 298.6014 -40.6663 -15.3546 762714.4263 2.0242 2.2066 PRESSURE: 1341600 66.7883 -186.888 53.3183 -186.889 -133.085 470.74 53.3174 470.739 -238.883 GPRESSURE: 1341600 -12.3179 -201.991 32.4841 -145.239 -76.1178 369.046 -17.4238 564.848 -151.08 PRESSAVG: 1341600 -15.5191 -16.0458 -22.5063 -16.0458 43.9532 -30.9148 -22.5063 -30.9149 44.3335 GPRESSAVG: 1341600 -15.5115 -16.9929 -22.3488 -12.9521 43.7722 -32.0293 -23.8997 -28.1993 44.4851 TIMING: 1341600 CPU: 4227.9, 0.00313706/step Wall: 4227.9, 0.00313706/step, 3.18795 hours remaining, 237.324219 MB of memory in use. ENERGY: 1341600 4070.0348 20381.8591 14452.9933 246.5274 -203664.5664 2766.3396 0.0000 0.0000 51929.4930 -109817.3193 298.4395 -161746.8123 -109452.5242 298.5793 -101.7267 -79.8387 761365.3882 24.2559 24.2486 PRESSURE: 1341800 16.8284 94.8282 82.9919 94.8278 -105.503 -145.851 82.9923 -145.852 -395.939 GPRESSURE: 1341800 -30.9278 63.7286 97.5969 57.2846 -130.773 -171.431 92.6061 -132.378 -245.458 PRESSAVG: 1341800 -65.1592 38.2248 46.79 38.2248 -35.8917 37.2553 46.7899 37.2553 5.534 GPRESSAVG: 1341800 -64.9917 40.8545 46.0118 35.6029 -35.9687 37.5235 46.6936 36.2765 5.85094 TIMING: 1341800 CPU: 4228.52, 0.00311648/step Wall: 4228.52, 0.00311648/step, 3.16687 hours remaining, 237.324219 MB of memory in use. ENERGY: 1341800 3930.8425 20421.8337 14391.3045 268.3829 -203115.0759 2395.6402 0.0000 0.0000 52054.3048 -109652.7673 299.1568 -161707.0721 -109289.0552 298.3032 -161.5379 -135.7194 762116.9546 -31.8390 -31.7032 PRESSURE: 1342000 91.9852 147.744 120.909 147.743 45.4523 -84.3941 120.909 -84.3934 -309.499 GPRESSURE: 1342000 144.847 95.2671 143.23 77.9011 99.7706 -2.1868 143.672 -77.3846 -336.859 PRESSAVG: 1342000 -70.9986 -13.9229 -3.88337 -13.9229 79.3785 7.75338 -3.88328 7.75341 -5.64484 GPRESSAVG: 1342000 -70.4041 -14.4211 -2.76649 -14.703 79.0339 7.61089 -2.77227 7.73313 -5.89458 TIMING: 1342000 CPU: 4229.15, 0.00314672/step Wall: 4229.15, 0.00314671/step, 3.19741 hours remaining, 237.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1342000 4103.3362 20554.1387 14390.7726 261.5940 -203328.6140 2462.6086 0.0000 0.0000 51845.3503 -109710.8136 297.9559 -161556.1639 -109352.1143 298.2468 -57.3539 -30.7472 760604.4585 0.9117 0.9118 PRESSURE: 1342200 342.811 145.333 155.474 145.334 -95.9664 136.032 155.474 136.032 67.6364 GPRESSURE: 1342200 335.842 152.094 107.215 153.025 -28.6876 72.5821 109.081 389.26 97.0179 PRESSAVG: 1342200 -35.6206 61.0284 36.2898 61.0284 46.4524 54.9683 36.2898 54.9684 -1.83815 GPRESSAVG: 1342200 -35.6854 60.2296 35.1817 61.1756 46.4772 57.2154 37.6056 56.3004 -1.73209 TIMING: 1342200 CPU: 4229.78, 0.00312498/step Wall: 4229.78, 0.00312498/step, 3.17515 hours remaining, 237.324219 MB of memory in use. ENERGY: 1342200 4015.7665 20355.2021 14415.2637 235.4917 -203860.5156 2931.1918 0.0000 0.0000 52135.1247 -109772.4750 299.6213 -161907.5997 -109418.1171 298.4729 104.8270 134.7240 760096.3950 2.9979 3.0199 PRESSURE: 1342400 92.3282 16.0641 172.792 16.0642 -24.4295 164.494 172.792 164.495 -44.3819 GPRESSURE: 1342400 121.975 45.9674 163.142 66.1504 -25.5209 164.548 54.168 80.2547 34.6689 PRESSAVG: 1342400 26.0225 6.26606 -72.8255 6.26606 -7.45784 43.5095 -72.8255 43.5095 10.526 GPRESSAVG: 1342400 25.7097 7.19401 -69.9321 5.94397 -6.54529 40.7457 -75.8342 42.718 10.2992 TIMING: 1342400 CPU: 4230.4, 0.00312668/step Wall: 4230.4, 0.00312668/step, 3.1767 hours remaining, 237.324219 MB of memory in use. ENERGY: 1342400 4046.5625 20485.6062 14438.6193 253.9385 -203429.9851 2584.5955 0.0000 0.0000 51808.6446 -109812.0185 297.7450 -161620.6631 -109453.4496 298.3183 7.8389 43.7077 759964.6077 9.6969 9.8212 PRESSURE: 1342600 47.8931 45.4051 0.525304 45.4052 -160.288 120.627 0.525989 120.626 -254.483 GPRESSURE: 1342600 63.4772 17.5408 -94.6871 70.6608 -67.0918 185.969 108.672 65.2964 -276.638 PRESSAVG: 1342600 28.2637 46.7863 12.0932 46.7863 -16.3831 26.0096 12.0933 26.0096 3.50416 GPRESSAVG: 1342600 29.6312 44.9196 10.9227 47.2314 -17.3563 27.3589 10.9601 26.6338 3.16196 TIMING: 1342600 CPU: 4231.02, 0.00311764/step Wall: 4231.02, 0.00311764/step, 3.16735 hours remaining, 237.324219 MB of memory in use. ENERGY: 1342600 4058.1198 20485.2391 14356.6910 257.9326 -203827.9624 2976.0755 0.0000 0.0000 51885.2335 -109808.6708 298.1852 -161693.9044 -109454.0976 298.4076 -122.2927 -93.4175 760144.8057 5.1282 5.1456 PRESSURE: 1342800 -94.0737 352.239 -276.146 352.238 137.139 -114.404 -276.147 -114.404 647.691 GPRESSURE: 1342800 -40.4949 303.214 -270.422 286.477 190.618 -122.791 -231.825 -188.762 628.409 PRESSAVG: 1342800 35.205 13.2409 25.2301 13.2409 -23.9711 -8.35975 25.2302 -8.35968 -5.06989 GPRESSAVG: 1342800 34.4284 14.8615 23.2018 12.4151 -24.4575 -9.56423 26.8766 -9.20283 -3.95517 TIMING: 1342800 CPU: 4231.65, 0.00310624/step Wall: 4231.65, 0.00310624/step, 3.1556 hours remaining, 237.324219 MB of memory in use. ENERGY: 1342800 3932.6420 20519.9252 14456.5376 255.2583 -203330.1147 2600.1475 0.0000 0.0000 51821.2166 -109744.3875 297.8172 -161565.6041 -109378.2826 298.6414 230.2521 259.5108 758177.9363 2.0547 2.0052 PRESSURE: 1343000 -46.9702 189.832 -236.073 189.832 -5.96696 -63.3677 -236.073 -63.3678 -341.559 GPRESSURE: 1343000 33.7407 153.573 -202.642 120.311 -13.1678 -42.204 -327.186 104.63 -334.605 PRESSAVG: 1343000 -13.7026 -9.30425 -14.3621 -9.30434 -26.3515 13.2463 -14.3621 13.2463 -1.37919 GPRESSAVG: 1343000 -13.1622 -9.53502 -14.2536 -6.25223 -26.7644 12.9288 -13.8912 11.7126 -1.53723 TIMING: 1343000 CPU: 4232.27, 0.00311512/step Wall: 4232.27, 0.00311512/step, 3.16445 hours remaining, 237.324219 MB of memory in use. ENERGY: 1343000 4015.0147 20592.3329 14453.6609 259.0719 -203193.5512 2369.1231 0.0000 0.0000 51748.1021 -109756.2456 297.3971 -161504.3477 -109404.7092 298.1788 -131.4988 -104.6773 760825.7664 -13.8111 -13.8213 PRESSURE: 1343200 108.427 36.7258 -71.6324 36.7256 145.503 55.2435 -71.6325 55.2428 -118.76 GPRESSURE: 1343200 160.038 -8.9738 -61.8485 -21.7786 172.707 118.954 -84.4231 -39.6283 -121.752 PRESSAVG: 1343200 -6.25446 1.95743 -44.5082 1.95743 -22.6963 15.191 -44.5081 15.191 -24.215 GPRESSAVG: 1343200 -6.14695 1.32819 -42.6947 0.111178 -21.8885 16.7131 -44.6595 14.7527 -25.231 TIMING: 1343200 CPU: 4232.89, 0.00310728/step Wall: 4232.89, 0.00310728/step, 3.1563 hours remaining, 237.324219 MB of memory in use. ENERGY: 1343200 3942.8362 20505.5343 14371.9700 241.6332 -203624.1902 2728.6641 0.0000 0.0000 52195.5476 -109638.0048 299.9685 -161833.5524 -109267.9009 299.0443 45.0563 70.3307 760526.8134 -17.7219 -17.7555 PRESSURE: 1343400 409.981 267.41 64.6417 267.41 383.725 -105.644 64.6419 -105.643 307.627 GPRESSURE: 1343400 375.37 279.545 82.1215 96.1607 369.873 -143.355 -4.90031 -45.6356 420.057 PRESSAVG: 1343400 80.2775 4.15399 38.9906 4.15404 -66.3918 22.3364 38.9905 22.3364 1.05208 GPRESSAVG: 1343400 78.7814 4.94607 38.1431 5.69019 -66.4573 23.1598 41.1142 22.1524 2.43176 TIMING: 1343400 CPU: 4233.51, 0.00310845/step Wall: 4233.51, 0.00310845/step, 3.15732 hours remaining, 237.324219 MB of memory in use. ENERGY: 1343400 3988.9252 20539.2332 14376.8836 252.0783 -203365.4512 2736.6053 0.0000 0.0000 52064.7349 -109406.9907 299.2167 -161471.7256 -109049.0674 299.2869 367.1111 388.4337 760108.8583 4.9793 4.9186 PRESSURE: 1343600 69.48 184.21 91.5722 184.21 -336.568 176.041 91.572 176.042 287.138 GPRESSURE: 1343600 123.313 155.031 9.94384 201.566 -215.504 187.558 -9.46063 180.561 217.458 PRESSAVG: 1343600 45.6042 10.2848 60.5835 10.2848 -86.323 2.94455 60.5835 2.94457 2.71052 GPRESSAVG: 1343600 46.1948 11.2201 61.7342 9.36916 -85.7332 3.39994 57.8011 2.61579 1.68498 TIMING: 1343600 CPU: 4234.14, 0.00312106/step Wall: 4234.14, 0.00312106/step, 3.16996 hours remaining, 237.324219 MB of memory in use. ENERGY: 1343600 3981.9024 20380.5551 14520.8700 258.9102 -203340.6812 2537.8452 0.0000 0.0000 52406.6543 -109253.9440 301.1818 -161660.5983 -108882.4200 299.3074 6.6835 41.7552 760202.5492 -12.6694 -12.6178 PRESSURE: 1343800 258.489 -69.7484 232.751 -69.7475 113.328 65.6006 232.751 65.5998 186.852 GPRESSURE: 1343800 254.904 -40.7339 222.251 -56.8861 152.336 114.85 299.628 55.4555 234.87 PRESSAVG: 1343800 31.9764 41.0301 -6.0851 41.0301 -47.9394 25.5398 -6.08506 25.5398 -4.17061 GPRESSAVG: 1343800 33.5675 41.862 -6.75973 41.4614 -49.6405 24.6263 -3.1401 26.2876 -3.98084 TIMING: 1343800 CPU: 4234.76, 0.00311798/step Wall: 4234.76, 0.00311798/step, 3.16665 hours remaining, 237.324219 MB of memory in use. ENERGY: 1343800 3942.6981 20566.1493 14442.7777 268.9865 -203472.9928 2589.6038 0.0000 0.0000 52056.5911 -109606.1864 299.1699 -161662.7775 -109240.0954 299.3202 186.2230 214.0364 758600.5573 -6.7112 -6.6846 PRESSURE: 1344000 182.803 162.629 -3.8755 162.629 -53.2257 34.6797 -3.8749 34.6792 51.4162 GPRESSURE: 1344000 146.486 190.433 -119.123 216.851 7.53269 -155.452 111.375 71.1812 105.697 PRESSAVG: 1344000 43.3799 43.4419 40.3647 43.4419 -6.32808 32.2364 40.3648 32.2364 0.421275 GPRESSAVG: 1344000 41.475 41.51 40.1025 45.4852 -4.89189 33.027 38.4171 31.4901 1.14543 TIMING: 1344000 CPU: 4235.39, 0.00312844/step Wall: 4235.39, 0.00312844/step, 3.1771 hours remaining, 237.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1344000 4006.3439 20611.7607 14407.0809 241.3483 -203195.3417 2366.0001 0.0000 0.0000 51930.1064 -109632.7015 298.4430 -161562.8079 -109277.8879 299.1825 60.3312 86.5719 758935.9168 12.4910 12.5762 PRESSURE: 1344200 -179.092 -2.42533 12.1688 -2.42522 -434.944 46.0415 12.1693 46.0413 138.737 GPRESSURE: 1344200 -237.762 -21.3319 -12.3493 -96.7811 -279.84 58.105 30.4174 2.17066 127.397 PRESSAVG: 1344200 60.9828 -13.5772 48.5478 -13.5772 -67.1415 49.0437 48.5478 49.0436 8.45946 GPRESSAVG: 1344200 62.6281 -11.7077 47.1754 -15.7952 -67.2582 48.8648 49.8911 49.2756 6.63437 TIMING: 1344200 CPU: 4236.01, 0.0031298/step Wall: 4236.01, 0.0031298/step, 3.17831 hours remaining, 237.324219 MB of memory in use. ENERGY: 1344200 3958.6390 20502.1634 14396.4083 249.3609 -203122.0926 2314.5036 0.0000 0.0000 52083.3174 -109617.6999 299.3235 -161701.0173 -109257.7777 299.0860 -158.4329 -130.0686 760434.3590 0.7669 0.6681 LDB: ============= START OF LOAD BALANCING ============== 4248.41 LDB: ============== END OF LOAD BALANCING =============== 4248.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4248.41 LDB: ============= START OF LOAD BALANCING ============== 4248.72 LDB: Largest compute 7078 load 0.033481 is 17.1% of average load 0.195952 LDB: Average compute 0.004376 is 2.2% of average load 0.195952 LDB: TIME 4248.73 LOAD: AVG 0.195952 MAX 0.217625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.605 MB LDB: TIME 4248.73 LOAD: AVG 0.195952 MAX 0.217625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: TIME 4248.73 LOAD: AVG 0.195952 MAX 0.217625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: ============== END OF LOAD BALANCING =============== 4248.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4248.74 PRESSURE: 1344400 -282.301 -105.206 -41.46 -105.205 93.5269 252.071 -41.4599 252.07 -265.861 GPRESSURE: 1344400 -224.269 -104.366 38.6834 -143.27 103.47 324.821 -211.061 192.415 -249.787 PRESSAVG: 1344400 -39.532 6.9154 -29.2818 6.91541 20.0837 5.09007 -29.2818 5.09007 -15.2347 GPRESSAVG: 1344400 -39.7763 4.83103 -29.0377 6.34424 18.98 4.36293 -29.1955 5.50083 -13.9004 TIMING: 1344400 CPU: 4236.65, 0.00320864/step Wall: 4236.65, 0.00320864/step, 3.2582 hours remaining, 238.144531 MB of memory in use. ENERGY: 1344400 3927.7228 20700.2089 14425.9856 239.0911 -203488.6786 2592.8800 0.0000 0.0000 51946.5609 -109656.2292 298.5376 -161602.7901 -109295.5148 298.8083 -151.5450 -123.5285 760388.6197 -11.5610 -11.5656 PRESSURE: 1344600 21.3767 48.9715 143.658 48.9713 10.4866 39.6161 143.658 39.6167 -352.373 GPRESSURE: 1344600 89.336 -81.1561 177.571 90.211 -22.2326 48.3858 136.145 5.21341 -296.162 PRESSAVG: 1344600 -3.60696 -28.1746 9.29404 -28.1746 -3.18669 -3.56274 9.29404 -3.56274 -1.81217 GPRESSAVG: 1344600 -2.49392 -27.7534 8.94843 -28.8981 -3.41778 -2.81828 8.80949 -4.67953 -2.94341 TIMING: 1344600 CPU: 4237.28, 0.00313445/step Wall: 4237.28, 0.00313445/step, 3.18269 hours remaining, 238.347656 MB of memory in use. ENERGY: 1344600 3908.5341 20496.4771 14375.2038 250.0637 -203500.9295 2455.9303 0.0000 0.0000 52203.5752 -109811.1453 300.0147 -162014.7205 -109439.6722 298.8780 -106.8365 -76.3528 760335.9522 -2.8686 -2.9517 PRESSURE: 1344800 68.7674 -46.5818 -174.125 -46.5821 -104.336 -163.347 -174.126 -163.347 10.4027 GPRESSURE: 1344800 85.8864 25.2126 -153.779 -132.05 -28.9464 -197.876 -199.27 -74.423 10.7399 PRESSAVG: 1344800 -62.7336 -11.177 -2.44969 -11.1771 42.9037 6.55575 -2.44969 6.55577 1.46131 GPRESSAVG: 1344800 -63.1735 -9.18698 -1.11457 -10.4734 43.4718 6.85126 -2.65287 7.07966 1.94794 TIMING: 1344800 CPU: 4237.91, 0.00313895/step Wall: 4237.91, 0.00313895/step, 3.18708 hours remaining, 238.347656 MB of memory in use. ENERGY: 1344800 4000.5012 20496.2181 14367.7151 250.0367 -203376.2414 2407.2223 0.0000 0.0000 52170.7337 -109683.8142 299.8259 -161854.5479 -109318.1785 298.5588 -8.3886 22.5600 760928.4934 -6.1228 -5.9179 PRESSURE: 1345000 -214.531 -88.6968 49.5769 -88.6965 -108.7 268.94 49.5769 268.94 144.021 GPRESSURE: 1345000 -147.967 -12.4529 6.80975 -44.6866 -117.16 207.703 74.1512 213.886 134.627 PRESSAVG: 1345000 -45.3196 -10.3529 -21.0783 -10.3529 55.6523 16.2945 -21.0783 16.2945 14.325 GPRESSAVG: 1345000 -45.3704 -12.4382 -20.9376 -9.99037 56.9712 13.7299 -22.1743 17.9433 13.0985 TIMING: 1345000 CPU: 4238.53, 0.00312762/step Wall: 4238.53, 0.00312762/step, 3.1754 hours remaining, 238.347656 MB of memory in use. ENERGY: 1345000 3995.6192 20650.6480 14436.9282 264.5353 -203647.1047 2641.1238 0.0000 0.0000 51822.3475 -109835.9027 297.8237 -161658.2501 -109473.3543 298.6640 -59.7370 -43.5002 760706.1452 8.2192 8.2331 PRESSURE: 1345200 -236.453 2.73914 -110.983 2.73885 275.662 -167.645 -110.983 -167.645 247.151 GPRESSURE: 1345200 -189.632 -45.2553 -135.315 29.1893 335.072 -139.253 -50.3266 -128.332 216.458 PRESSAVG: 1345200 -5.17912 27.8323 -0.715041 27.8322 12.6772 17.3175 -0.715061 17.3174 -17.9294 GPRESSAVG: 1345200 -6.39778 27.3837 1.45882 28.7844 12.3095 18.48 -1.88327 16.2373 -15.6977 TIMING: 1345200 CPU: 4239.16, 0.00313475/step Wall: 4239.16, 0.00313475/step, 3.18247 hours remaining, 238.347656 MB of memory in use. ENERGY: 1345200 3941.9565 20568.2035 14473.0710 243.4474 -203546.3234 2780.4933 0.0000 0.0000 51979.5225 -109559.6292 298.7270 -161539.1517 -109199.0908 298.6475 95.4534 120.6327 759957.8375 -3.4771 -3.2620 PRESSURE: 1345400 -350.124 93.1877 153.659 93.1864 -116.189 -119.542 153.658 -119.542 -7.76901 GPRESSURE: 1345400 -272.194 -2.10454 91.9311 226.484 -110.851 -110.176 62.5322 -12.9036 -6.86266 PRESSAVG: 1345400 -39.9021 2.3152 -2.42293 2.31518 20.7105 8.7795 -2.42291 8.7796 9.06302 GPRESSAVG: 1345400 -38.5233 2.34278 -4.18654 0.789689 19.9439 10.1803 -2.68622 10.0013 8.78239 TIMING: 1345400 CPU: 4239.78, 0.00311892/step Wall: 4239.78, 0.00311892/step, 3.16623 hours remaining, 238.347656 MB of memory in use. ENERGY: 1345400 3976.1585 20472.7317 14466.8919 253.0390 -203141.9301 2564.0733 0.0000 0.0000 51884.7765 -109524.2593 298.1825 -161409.0358 -109161.6615 298.9936 -158.0274 -129.9689 761370.5468 -3.3762 -3.2656 PRESSURE: 1345600 14.4064 89.7271 -68.3787 89.7275 -356.126 84.6967 -68.3787 84.6977 -287.122 GPRESSURE: 1345600 -10.1182 171.942 -55.8897 82.7364 -303.343 114.142 95.8183 57.0238 -234.921 PRESSAVG: 1345600 -15.2217 23.8106 -36.3802 23.8106 6.18651 -26.6133 -36.3803 -26.6133 3.71124 GPRESSAVG: 1345600 -15.7026 26.5904 -36.8482 23.1004 7.01888 -28.2092 -34.7461 -27.1261 3.85518 TIMING: 1345600 CPU: 4240.41, 0.00312013/step Wall: 4240.41, 0.00312013/step, 3.16728 hours remaining, 238.347656 MB of memory in use. ENERGY: 1345600 3943.9421 20435.3294 14458.7900 248.3941 -203279.1152 2588.7557 0.0000 0.0000 52166.4673 -109437.4365 299.8014 -161603.9039 -109075.0222 298.7342 -209.6139 -182.7942 762157.6184 -1.7746 -1.6095 PRESSURE: 1345800 220.209 -82.5048 79.7248 -82.5045 -174.216 -9.93538 79.725 -9.93696 208.876 GPRESSURE: 1345800 220.195 -82.9583 -36.7488 83.0626 -178.608 -34.0724 -21.8801 -50.8793 292.723 PRESSAVG: 1345800 47.218 3.19952 -42.0106 3.19949 -43.2026 -3.30837 -42.0106 -3.30837 -2.11862 GPRESSAVG: 1345800 47.7345 1.49241 -42.2593 3.35042 -42.9316 -3.44883 -40.0002 -4.22019 -2.9088 TIMING: 1345800 CPU: 4241.03, 0.00312786/step Wall: 4241.03, 0.00312786/step, 3.17495 hours remaining, 238.347656 MB of memory in use. ENERGY: 1345800 3942.9455 20460.0123 14421.3891 223.2132 -203179.4361 2919.4034 0.0000 0.0000 51791.1036 -109421.3691 297.6442 -161212.4727 -109073.9881 298.9971 84.9562 111.4366 763215.7003 0.6323 0.6313 PRESSURE: 1346000 37.9504 -94.9794 -164.972 -94.9801 -164.376 -132.115 -164.973 -132.116 -152.696 GPRESSURE: 1346000 24.3876 -23.9918 -99.8304 -82.5551 -100.814 -193.322 -250.665 -156.918 -93.4804 PRESSAVG: 1346000 -19.971 -22.6397 -45.1064 -22.6398 17.7645 45.1725 -45.1065 45.1725 12.879 GPRESSAVG: 1346000 -20.2246 -22.3224 -43.5179 -22.7682 17.848 45.884 -48.8704 45.6978 13.6169 TIMING: 1346000 CPU: 4241.66, 0.00313952/step Wall: 4241.66, 0.00313952/step, 3.18661 hours remaining, 238.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1346000 3922.6448 20414.9012 14437.5364 277.8556 -203079.0715 2477.3511 0.0000 0.0000 52160.5111 -109388.2714 299.7672 -161548.7825 -109020.1385 299.1881 -93.0406 -56.6355 762062.1095 3.5575 3.7468 PRESSURE: 1346200 38.5845 17.6969 58.8671 17.697 158.164 -202.917 58.8675 -202.916 30.4437 GPRESSURE: 1346200 77.6918 42.633 44.9001 -11.2359 227.58 -232.859 51.1314 -168.158 -0.72906 PRESSAVG: 1346200 -21.5903 14.4751 9.03751 14.4751 36.4519 11.6883 9.03751 11.6882 13.2195 GPRESSAVG: 1346200 -22.0675 12.0476 9.61023 17.4331 37.2677 10.2415 11.2416 11.985 12.0745 TIMING: 1346200 CPU: 4242.29, 0.00313059/step Wall: 4242.29, 0.00313059/step, 3.17738 hours remaining, 238.347656 MB of memory in use. ENERGY: 1346200 4016.0137 20365.3783 14455.4669 240.2583 -203495.9596 2812.4131 0.0000 0.0000 52140.6180 -109465.8113 299.6528 -161606.4293 -109104.6515 299.2722 75.7307 101.5142 762445.9976 9.3604 9.0916 PRESSURE: 1346400 239.351 -29.6074 -228.215 -29.6079 296.533 80.1283 -228.214 80.1295 -7.89163 GPRESSURE: 1346400 260.12 -89.5251 -183.174 38.0617 289.716 144.084 -100.214 57.1153 71.2216 PRESSAVG: 1346400 -34.2068 15.3426 -45.3065 15.3426 62.1757 19.9604 -45.3066 19.9604 -10.8881 GPRESSAVG: 1346400 -32.914 17.5412 -45.5306 13.5938 60.1103 20.5633 -46.7349 20.2129 -9.8296 TIMING: 1346400 CPU: 4242.92, 0.00315486/step Wall: 4242.92, 0.00315486/step, 3.20183 hours remaining, 238.347656 MB of memory in use. ENERGY: 1346400 3942.4298 20386.7509 14503.9983 244.9104 -203218.5830 2569.8229 0.0000 0.0000 52113.2404 -109457.4303 299.4955 -161570.6707 -109091.9436 299.4651 175.9973 207.0191 759450.1053 5.6936 5.7889 PRESSURE: 1346600 -4.59933 241.215 141.921 241.215 -88.7164 -95.7442 141.921 -95.745 -206.678 GPRESSURE: 1346600 3.30985 197.17 151.415 321.593 -31.6372 -113.004 77.5627 -150.714 -181.859 PRESSAVG: 1346600 -56.367 3.64021 -14.4244 3.6402 72.4783 9.64759 -14.4243 9.64763 -1.7586 GPRESSAVG: 1346600 -56.6942 3.68176 -16.1144 3.27757 73.4708 10.5188 -14.2908 8.06737 -2.45893 TIMING: 1346600 CPU: 4243.54, 0.00312852/step Wall: 4243.54, 0.00312852/step, 3.17493 hours remaining, 238.347656 MB of memory in use. ENERGY: 1346600 3948.7148 20331.7447 14510.9704 240.2171 -203415.2496 2505.5053 0.0000 0.0000 52221.6141 -109656.4832 300.1183 -161878.0973 -109296.2037 299.0346 -99.9978 -70.0621 761441.6390 4.7843 4.7726 PRESSURE: 1346800 -104.755 95.789 -111.399 95.7896 -77.9086 18.5504 -111.399 18.5507 319.961 GPRESSURE: 1346800 -110.092 135.558 -206.193 -27.7786 5.55188 51.5826 -134.477 15.3301 319.544 PRESSAVG: 1346800 -22.163 -29.5799 10.4841 -29.5799 21.572 14.4852 10.4842 14.4852 -1.52467 GPRESSAVG: 1346800 -21.8505 -32.8807 10.6503 -28.3646 21.2216 13.039 10.9559 15.7335 -1.35536 TIMING: 1346800 CPU: 4244.17, 0.00313248/step Wall: 4244.17, 0.00313248/step, 3.17877 hours remaining, 238.347656 MB of memory in use. ENERGY: 1346800 3912.6114 20362.7202 14477.3985 259.2532 -203167.6217 2326.3418 0.0000 0.0000 52024.5456 -109804.7509 298.9858 -161829.2965 -109437.1749 298.3853 45.7656 71.6679 760921.1874 -0.7052 -0.6614 PRESSURE: 1347000 84.7473 -76.4627 -18.7533 -76.4631 323.465 -33.3585 -18.7531 -33.3572 345.352 GPRESSURE: 1347000 136.622 -37.7825 -41.2147 -38.8593 324.579 7.27223 -13.9223 -18.6649 390.215 PRESSAVG: 1347000 -34.3831 27.0422 -69.3185 27.0422 -0.59886 32.1467 -69.3185 32.1466 17.0223 GPRESSAVG: 1347000 -34.3431 29.8483 -69.2459 25.6865 0.30904 33.8324 -68.099 31.5487 16.2342 TIMING: 1347000 CPU: 4244.8, 0.00312843/step Wall: 4244.8, 0.00312843/step, 3.17449 hours remaining, 238.347656 MB of memory in use. ENERGY: 1347000 3939.4824 20315.7521 14464.8616 268.1333 -203144.7414 2454.7540 0.0000 0.0000 51944.2291 -109757.5289 298.5242 -161701.7580 -109390.1656 298.1067 251.1882 283.8057 760395.8573 -5.9865 -5.9333 PRESSURE: 1347200 263.24 57.9832 87.4389 57.9837 239.289 11.4124 87.4391 11.4122 129.668 GPRESSURE: 1347200 184.054 -0.951748 207.557 110.685 379.119 18.0756 134.672 166.756 142.701 PRESSAVG: 1347200 -41.2286 -29.4543 -56.2468 -29.4543 40.2994 34.0389 -56.2468 34.0388 37.0049 GPRESSAVG: 1347200 -44.0957 -28.5735 -53.9609 -27.2491 41.984 31.6699 -55.8091 34.8691 37.6621 TIMING: 1347200 CPU: 4245.42, 0.00312515/step Wall: 4245.42, 0.00312515/step, 3.17099 hours remaining, 238.347656 MB of memory in use. ENERGY: 1347200 3900.0012 20328.6987 14415.4351 237.2902 -202909.6773 2451.3595 0.0000 0.0000 52076.5089 -109500.3837 299.2844 -161576.8926 -109129.5319 298.8426 210.7321 235.2912 762782.5226 12.0252 11.8501 PRESSURE: 1347400 -115.499 -24.6528 -138.115 -24.6527 4.35368 77.82 -138.114 77.8203 -12.5254 GPRESSURE: 1347400 -55.0799 -69.0851 -107.614 -11.1679 8.88351 47.2379 -57.8789 207.363 -7.50518 PRESSAVG: 1347400 -1.7287 10.7625 55.8181 10.7625 20.107 -2.50165 55.818 -2.50174 1.43153 GPRESSAVG: 1347400 0.166652 10.2503 53.9566 10.9208 18.9222 -1.12445 55.091 -2.33935 1.4032 TIMING: 1347400 CPU: 4246.05, 0.00313727/step Wall: 4246.05, 0.00313727/step, 3.1831 hours remaining, 238.347656 MB of memory in use. ENERGY: 1347400 3879.5990 20492.0749 14416.4843 255.2094 -202883.8637 2566.4576 0.0000 0.0000 51898.3833 -109375.6552 298.2607 -161274.0385 -109014.3309 299.0529 -41.2237 -17.9005 761537.2861 6.6033 6.8307 PRESSURE: 1347600 25.4814 -176.668 -145.211 -176.669 -106.025 91.0536 -145.211 91.0527 341.282 GPRESSURE: 1347600 61.5621 -201.312 -111.803 -110.939 -71.4153 36.265 -163.036 72.1284 363.617 PRESSAVG: 1347600 -61.0967 -79.9363 33.7186 -79.9363 5.41806 -13.6111 33.7186 -13.6112 2.33951 GPRESSAVG: 1347600 -60.1524 -77.7478 33.0841 -82.1115 3.92728 -14.3396 34.3812 -17.1931 3.29688 TIMING: 1347600 CPU: 4246.68, 0.00313743/step Wall: 4246.68, 0.00313743/step, 3.18309 hours remaining, 238.347656 MB of memory in use. ENERGY: 1347600 3995.9187 20443.9028 14398.4073 250.8448 -203224.3858 2772.9377 0.0000 0.0000 52098.8867 -109263.4877 299.4130 -161362.3745 -108899.3795 299.0995 86.9128 117.9213 762078.3750 -17.7797 -17.6427 PRESSURE: 1347800 146.835 -61.9054 -48.3582 -61.905 89.6749 -83.6416 -48.3593 -83.642 -349.026 GPRESSURE: 1347800 215.676 -97.8821 -52.5747 -4.97048 67.5546 5.94875 -61.1725 7.69722 -312.55 PRESSAVG: 1347800 -9.72612 -26.5547 -23.096 -26.5547 1.82081 18.0404 -23.096 18.0403 -7.98152 GPRESSAVG: 1347800 -11.2317 -29.8249 -21.794 -25.2679 2.68827 19.6605 -24.3807 19.4387 -7.71413 TIMING: 1347800 CPU: 4247.31, 0.00314638/step Wall: 4247.31, 0.00314638/step, 3.192 hours remaining, 238.347656 MB of memory in use. ENERGY: 1347800 4068.5729 20458.8782 14470.5165 249.9364 -203304.8879 2595.5292 0.0000 0.0000 52183.0839 -109278.3709 299.8969 -161461.4548 -108923.4917 299.5434 -37.5051 -9.7729 761744.9718 -5.2956 -5.4192 PRESSURE: 1348000 -19.7569 -267.318 -114.826 -267.319 62.7587 -128.255 -114.826 -128.253 -283.014 GPRESSURE: 1348000 17.2754 -139.122 -171.126 -227.768 89.9798 -13.4683 -65.8794 37.7757 -260.205 PRESSAVG: 1348000 14.4753 -17.9909 -28.1335 -17.9909 55.0187 15.1869 -28.1334 15.1869 3.06193 GPRESSAVG: 1348000 14.9074 -17.123 -28.8303 -18.2039 55.0319 14.2294 -26.3549 17.1735 2.70915 TIMING: 1348000 CPU: 4247.93, 0.00313627/step Wall: 4247.93, 0.00313627/step, 3.18157 hours remaining, 238.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1348000 3883.2883 20612.2412 14454.3346 259.8666 -203190.6159 2269.5825 0.0000 0.0000 52277.8275 -109433.4753 300.4414 -161711.3029 -109069.3824 299.5568 -80.0039 -50.9833 760978.1253 24.1853 24.2162 PRESSURE: 1348200 -13.8203 174.971 226.768 174.971 -15.6512 109.129 226.767 109.129 22.3787 GPRESSURE: 1348200 -36.9103 92.6155 283.973 166.475 91.4092 97.2348 32.6246 -70.8977 16.5047 PRESSAVG: 1348200 13.7262 32.7894 -22.6948 32.7893 2.63056 -5.57229 -22.6948 -5.57225 -7.84882 GPRESSAVG: 1348200 12.4405 31.3987 -21.9104 33.0728 2.73009 -4.65357 -24.6433 -5.55354 -6.87177 TIMING: 1348200 CPU: 4248.56, 0.00313297/step Wall: 4248.56, 0.00313297/step, 3.17805 hours remaining, 238.347656 MB of memory in use. ENERGY: 1348200 3996.2783 20544.4748 14548.5020 229.5698 -203454.3937 2497.8431 0.0000 0.0000 51995.2233 -109642.5024 298.8173 -161637.7257 -109280.9629 299.1864 -2.3643 23.6679 760702.4667 2.8360 2.7663 LDB: ============= START OF LOAD BALANCING ============== 4260.95 LDB: ============== END OF LOAD BALANCING =============== 4260.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4260.96 LDB: ============= START OF LOAD BALANCING ============== 4261.27 LDB: Largest compute 7056 load 0.033073 is 16.9% of average load 0.196002 LDB: Average compute 0.004372 is 2.2% of average load 0.196002 LDB: TIME 4261.27 LOAD: AVG 0.196002 MAX 0.215695 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.562 MB LDB: TIME 4261.27 LOAD: AVG 0.196002 MAX 0.215695 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.562 MB LDB: TIME 4261.27 LOAD: AVG 0.196002 MAX 0.215695 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.562 MB LDB: ============== END OF LOAD BALANCING =============== 4261.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4261.28 PRESSURE: 1348400 100.149 198.954 127.452 198.955 222.922 -107.199 127.452 -107.199 415.981 GPRESSURE: 1348400 154.561 -14.5306 83.0046 153.122 321.627 -172.576 300.824 -200.833 337.327 PRESSAVG: 1348400 -49.4982 20.1745 95.3752 20.1745 -0.963744 -40.2358 95.3752 -40.2359 -5.6008 GPRESSAVG: 1348400 -47.8113 23.4934 93.4156 19.071 -1.65901 -41.3371 94.776 -40.4389 -6.81642 TIMING: 1348400 CPU: 4249.2, 0.00318954/step Wall: 4249.2, 0.00318954/step, 3.23525 hours remaining, 238.386719 MB of memory in use. ENERGY: 1348400 3914.0866 20530.8255 14450.1132 246.0631 -203408.8001 2595.0069 0.0000 0.0000 52178.7634 -109493.9414 299.8721 -161672.7048 -109141.5689 299.0595 246.3505 271.1717 759801.8262 -18.6876 -18.7623 PRESSURE: 1348600 -62.4698 -75.7963 -57.9288 -75.796 85.9342 -186.128 -57.93 -186.128 229.717 GPRESSURE: 1348600 -22.5008 10.1557 -51.9684 -90.0541 36.4302 -215.569 4.93905 -18.6778 284.18 PRESSAVG: 1348600 -31.944 12.784 82.3523 12.7841 26.2475 -35.7759 82.3524 -35.7759 -5.08058 GPRESSAVG: 1348600 -31.1706 12.0565 83.6413 11.8892 26.4029 -35.1314 84.2742 -35.0176 -6.25739 TIMING: 1348600 CPU: 4249.83, 0.00314383/step Wall: 4249.83, 0.00314384/step, 3.18872 hours remaining, 238.457031 MB of memory in use. ENERGY: 1348600 3936.5395 20497.9906 14493.1798 246.0534 -203439.3763 2491.6341 0.0000 0.0000 52272.6805 -109501.2984 300.4118 -161773.9789 -109136.7674 299.4626 84.3938 99.3697 760295.3278 -3.5923 -3.6750 PRESSURE: 1348800 187.036 7.24861 125.686 7.24947 43.209 -179.933 125.686 -179.932 -123.656 GPRESSURE: 1348800 248.565 -134.138 146.169 -14.6175 91.9486 -110.77 92.3286 -124.005 -139.87 PRESSAVG: 1348800 -8.39946 -9.33327 8.26654 -9.33336 -1.45329 -6.59938 8.2665 -6.5994 -15.4811 GPRESSAVG: 1348800 -9.75436 -13.1947 8.57867 -8.01831 -1.62647 -6.70636 6.82661 -7.23787 -14.0872 TIMING: 1348800 CPU: 4250.45, 0.00313586/step Wall: 4250.45, 0.00313586/step, 3.18046 hours remaining, 238.457031 MB of memory in use. ENERGY: 1348800 3931.8172 20506.4601 14560.8512 239.1148 -203235.3264 2537.3594 0.0000 0.0000 52013.9025 -109445.8213 298.9246 -161459.7238 -109086.8184 299.4260 35.5295 66.8811 760685.8626 -8.4446 -8.4894 PRESSURE: 1349000 318.265 86.0241 44.8615 86.024 -216.333 179.369 44.8604 179.369 381.448 GPRESSURE: 1349000 306.116 -26.6557 82.0609 19.1969 -100.734 224.63 15.1391 160.052 359.009 PRESSAVG: 1349000 -18.5008 -31.7181 24.9212 -31.7181 78.6418 18.9048 24.9211 18.9048 13.8493 GPRESSAVG: 1349000 -18.9578 -27.8729 24.225 -32.921 79.2375 19.15 25.1604 17.9112 14.0245 TIMING: 1349000 CPU: 4251.08, 0.00312622/step Wall: 4251.08, 0.00312622/step, 3.1705 hours remaining, 238.457031 MB of memory in use. ENERGY: 1349000 3969.0023 20563.6631 14478.6001 260.8548 -203436.2532 2601.4455 0.0000 0.0000 52201.4996 -109361.1878 300.0027 -161562.6874 -108992.3566 299.4133 161.1268 188.1302 760873.5710 24.6634 24.7680 PRESSURE: 1349200 90.3311 -37.5455 100.468 -37.545 -65.9279 252.881 100.468 252.881 150.99 GPRESSURE: 1349200 98.1579 -41.1318 86.2857 -7.49097 -38.1512 291.777 39.1394 181.931 193.481 PRESSAVG: 1349200 50.1114 -36.2578 -4.75904 -36.2579 -59.0497 -23.1404 -4.75902 -23.1403 -4.24598 GPRESSAVG: 1349200 50.8308 -36.5012 -4.50031 -35.9234 -59.4427 -23.6818 -4.86382 -22.2237 -4.0275 TIMING: 1349200 CPU: 4251.7, 0.0031285/step Wall: 4251.7, 0.0031285/step, 3.17265 hours remaining, 238.457031 MB of memory in use. ENERGY: 1349200 4003.9541 20643.2113 14440.0857 239.3926 -203125.8097 2386.2009 0.0000 0.0000 52176.5050 -109236.4600 299.8591 -161412.9650 -108871.8238 299.3077 58.4645 84.4960 761634.6185 -4.3948 -4.2131 PRESSURE: 1349400 30.8486 175.565 248.235 175.565 13.9458 196.838 248.234 196.838 398.643 GPRESSURE: 1349400 120.549 134.932 181.58 171.781 62.5324 292.816 219.662 89.0795 344.749 PRESSAVG: 1349400 20.6443 8.37305 9.33271 8.37303 -41.9892 -6.54794 9.33267 -6.54783 -27.476 GPRESSAVG: 1349400 21.3026 6.84103 8.59445 10.6872 -41.4483 -6.70286 9.57822 -7.12537 -28.9362 TIMING: 1349400 CPU: 4252.33, 0.0031289/step Wall: 4252.33, 0.0031289/step, 3.17288 hours remaining, 238.457031 MB of memory in use. ENERGY: 1349400 3968.0872 20496.2180 14435.4578 232.6040 -203503.5704 2595.9454 0.0000 0.0000 52197.3151 -109577.9429 299.9787 -161775.2580 -109210.8792 299.4060 147.8124 175.9435 761871.9580 -16.2736 -16.3606 PRESSURE: 1349600 -194.239 -59.3355 73.6594 -59.3368 -290.379 56.623 73.6596 56.6229 -136.573 GPRESSURE: 1349600 -215.379 -80.358 178.954 -69.2577 -220.649 81.4281 35.3821 65.7628 -98.2736 PRESSAVG: 1349600 -53.6535 9.78793 -8.56912 9.7879 5.02102 -20.5337 -8.56904 -20.5336 14.4279 GPRESSAVG: 1349600 -54.0076 10.338 -7.09211 9.82095 4.51538 -20.7186 -10.1367 -20.138 15.1378 TIMING: 1349600 CPU: 4252.96, 0.00312739/step Wall: 4252.96, 0.00312739/step, 3.17118 hours remaining, 238.457031 MB of memory in use. ENERGY: 1349600 4051.8228 20464.8870 14514.9326 239.6234 -203460.2789 2538.6071 0.0000 0.0000 52066.9492 -109583.4566 299.2295 -161650.4058 -109221.5796 299.0714 -207.0640 -178.1005 762457.5680 -11.4015 -11.4515 PRESSURE: 1349800 165.732 -50.8356 131.76 -50.8359 63.5205 -334.667 131.76 -334.667 291.855 GPRESSURE: 1349800 152.872 -54.762 50.4234 -122.027 136.728 -351.926 241.121 -259.236 278.823 PRESSAVG: 1349800 -24.4054 -23.9349 -6.23656 -23.935 25.1037 -23.8459 -6.23654 -23.8459 -3.70076 GPRESSAVG: 1349800 -24.8249 -23.0537 -6.42913 -26.4635 25.4208 -22.5762 -4.25858 -23.5901 -3.89598 TIMING: 1349800 CPU: 4253.58, 0.00314202/step Wall: 4253.58, 0.00314202/step, 3.18584 hours remaining, 238.457031 MB of memory in use. ENERGY: 1349800 3960.8838 20488.5602 14466.2032 263.6688 -203470.6450 2594.8856 0.0000 0.0000 52242.8092 -109453.6342 300.2401 -161696.4434 -109092.5342 299.3748 173.7027 189.4744 761000.8102 -1.0008 -1.1000 PRESSURE: 1350000 -124.04 -129.357 42.4114 -129.356 -291.472 -83.8475 42.4115 -83.8466 -50.0608 GPRESSURE: 1350000 -42.824 -108.641 -106.708 -134.105 -319.719 -42.4898 95.6508 116.048 -17.0203 PRESSAVG: 1350000 -17.5026 -34.0426 2.60038 -34.0427 21.7168 -47.2772 2.60038 -47.2772 22.7371 GPRESSAVG: 1350000 -16.5937 -35.2858 1.99894 -31.6063 20.8783 -47.2584 2.33975 -47.7727 22.3307 TIMING: 1350000 CPU: 4254.21, 0.00312574/step Wall: 4254.21, 0.00312574/step, 3.16916 hours remaining, 238.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1350000 4008.8316 20435.8833 14454.8284 223.4109 -203459.6742 2683.2535 0.0000 0.0000 52057.5076 -109595.9590 299.1752 -161653.4665 -109227.4695 299.1652 -155.1909 -126.5211 762572.6646 8.9838 8.8718 PRESSURE: 1350200 -186.417 65.6203 -149.742 65.6206 242.708 -16.6402 -149.741 -16.6405 95.2206 GPRESSURE: 1350200 -122.334 1.62918 -137.404 136.939 282.857 65.4345 -197.861 -102.883 64.7012 PRESSAVG: 1350200 -43.7634 18.2907 -36.0984 18.2907 29.008 38.9187 -36.0984 38.9187 -19.5951 GPRESSAVG: 1350200 -44.5853 18.928 -36.1151 18.7117 29.8554 38.6691 -35.8272 38.6051 -19.5231 TIMING: 1350200 CPU: 4254.83, 0.00312066/step Wall: 4254.83, 0.00312066/step, 3.16383 hours remaining, 238.457031 MB of memory in use. ENERGY: 1350200 4057.5554 20563.3389 14484.5795 227.2244 -204074.9768 2881.9703 0.0000 0.0000 52168.9432 -109691.3651 299.8156 -161860.3083 -109327.5141 299.1635 50.5040 75.0749 760337.9650 -11.4502 -11.4177 PRESSURE: 1350400 156.001 -59.0524 366.636 -59.0532 59.717 95.3645 366.637 95.3643 94.9735 GPRESSURE: 1350400 261.394 -28.0086 399.285 -54.6627 131.668 131.148 389.869 40.2879 -12.3654 PRESSAVG: 1350400 12.5371 39.4327 29.4488 39.4328 24.5238 -44.9918 29.4488 -44.9918 7.74024 GPRESSAVG: 1350400 12.7473 39.5072 30.4335 38.1646 24.2451 -44.8221 29.2809 -45.1582 7.72977 TIMING: 1350400 CPU: 4255.46, 0.00311974/step Wall: 4255.46, 0.00311974/step, 3.16273 hours remaining, 238.457031 MB of memory in use. ENERGY: 1350400 4009.9679 20498.7541 14498.3411 237.0177 -203666.3876 2756.7887 0.0000 0.0000 51845.5296 -109819.9885 297.9570 -161665.5181 -109467.0802 299.1435 103.5640 126.8988 760024.7011 14.9337 14.9074 PRESSURE: 1350600 -183.92 -28.0222 179.496 -28.0222 -276.495 -6.94501 179.496 -6.94427 -40.3741 GPRESSURE: 1350600 -220.517 28.6026 227.801 -113.544 -185.258 -8.43258 116.75 -19.8252 -18.1377 PRESSAVG: 1350600 0.77825 -43.7447 9.63981 -43.7446 22.894 -16.306 9.63984 -16.306 4.7548 GPRESSAVG: 1350600 0.657804 -43.1391 8.35812 -44.0952 22.1778 -17.5432 10.6616 -17.1104 5.43029 TIMING: 1350600 CPU: 4256.08, 0.0031298/step Wall: 4256.08, 0.0031298/step, 3.17275 hours remaining, 238.457031 MB of memory in use. ENERGY: 1350600 4012.4593 20437.4288 14512.2438 246.6291 -203493.6567 2412.7158 0.0000 0.0000 51985.7770 -109886.4029 298.7630 -161872.1799 -109518.0565 298.0825 -166.9296 -141.3043 761151.8871 9.4757 9.4220 PRESSURE: 1350800 -213.421 -312.362 -14.8333 -312.361 4.36463 -40.5442 -14.8334 -40.5442 150.352 GPRESSURE: 1350800 -192.732 -352.539 17.6081 -275.529 62.6984 -6.22165 -266.401 -140.354 157.594 PRESSAVG: 1350800 5.73566 -67.8593 -26.6951 -67.8594 -3.60048 -20.3606 -26.6951 -20.3606 8.2732 GPRESSAVG: 1350800 5.64241 -70.3391 -25.9732 -67.5771 -4.28755 -19.0498 -28.6474 -21.6185 8.64181 TIMING: 1350800 CPU: 4256.71, 0.00311824/step Wall: 4256.71, 0.00311824/step, 3.16086 hours remaining, 238.457031 MB of memory in use. ENERGY: 1350800 4016.6376 20585.6098 14454.3004 239.0830 -203678.8041 2601.7409 0.0000 0.0000 51999.3015 -109782.1310 298.8407 -161781.4325 -109421.3124 298.2354 -19.5683 9.1868 760404.4533 3.4695 3.3322 PRESSURE: 1351000 75.797 -39.0076 -4.21379 -39.007 -142.542 -87.3141 -4.21394 -87.3131 35.722 GPRESSURE: 1351000 -5.04803 64.5345 -38.1751 -92.9228 -43.1121 -150.511 13.1611 48.6037 103.649 PRESSAVG: 1351000 4.7806 -29.9794 4.03747 -29.9794 -25.1123 28.2421 4.03744 28.242 -6.65046 GPRESSAVG: 1351000 5.50858 -28.3961 3.63133 -32.3347 -24.9513 27.0113 6.05333 29.1253 -7.25495 TIMING: 1351000 CPU: 4257.33, 0.00312488/step Wall: 4257.33, 0.00312488/step, 3.16741 hours remaining, 238.457031 MB of memory in use. ENERGY: 1351000 4036.2902 20529.4201 14497.0223 256.2514 -203532.6284 2681.8407 0.0000 0.0000 51947.0240 -109584.7797 298.5403 -161531.8037 -109216.6905 298.6849 -10.3410 18.4963 760786.2902 -8.9941 -8.8992 PRESSURE: 1351200 436.722 31.8073 -4.51127 31.8076 -184.197 317.219 -4.51235 317.217 -510.115 GPRESSURE: 1351200 355.361 146.886 7.1083 42.8649 -21.3519 362.967 -46.1447 243.592 -500.412 PRESSAVG: 1351200 63.0734 34.0576 -34.0665 34.0576 -46.2934 34.989 -34.0666 34.989 9.30635 GPRESSAVG: 1351200 62.2544 33.8263 -34.9173 34.719 -46.2341 34.9458 -32.7345 34.893 9.3608 TIMING: 1351200 CPU: 4257.96, 0.00314376/step Wall: 4257.96, 0.00314376/step, 3.18637 hours remaining, 238.457031 MB of memory in use. ENERGY: 1351200 4091.1075 20709.2019 14330.5296 236.1048 -203418.3956 2477.2589 0.0000 0.0000 52138.5485 -109435.6445 299.6410 -161574.1930 -109078.0055 299.3390 -85.8635 -55.4677 761266.3652 8.6955 8.4604 PRESSURE: 1351400 66.4469 105.084 20.4229 105.083 -312.855 -160.94 20.4234 -160.942 129.974 GPRESSURE: 1351400 48.5952 -15.9701 5.37888 134.965 -249.559 -122.155 1.27063 -168.881 150.603 PRESSAVG: 1351400 65.3083 -2.95863 -15.1077 -2.95867 -62.53 -13.4456 -15.1077 -13.4456 21.7436 GPRESSAVG: 1351400 64.1602 -3.87666 -14.3707 -0.246386 -61.3643 -12.8354 -16.7819 -13.7526 21.5817 TIMING: 1351400 CPU: 4258.59, 0.0031459/step Wall: 4258.59, 0.0031459/step, 3.18837 hours remaining, 238.457031 MB of memory in use. ENERGY: 1351400 4028.0416 20333.0247 14431.8992 254.7730 -202827.1024 2369.1727 0.0000 0.0000 52050.1519 -109360.0393 299.1329 -161410.1912 -108992.9242 299.3325 -38.8112 -16.7870 762028.3089 8.1740 8.1259 PRESSURE: 1351600 -4.86944 -67.3808 152.917 -67.3806 -223.533 -69.9275 152.917 -69.9281 106.775 GPRESSURE: 1351600 79.1557 -133.024 117.554 41.9427 -165.872 -59.0564 60.8672 -29.2525 32.7414 PRESSAVG: 1351600 9.55105 25.7275 -16.7103 25.7274 -22.7853 32.2015 -16.7104 32.2015 -13.0952 GPRESSAVG: 1351600 9.32076 28.8837 -15.833 23.4584 -24.2147 30.1441 -18.2418 33.5352 -11.9753 TIMING: 1351600 CPU: 4259.22, 0.00313287/step Wall: 4259.22, 0.00313287/step, 3.17499 hours remaining, 238.457031 MB of memory in use. ENERGY: 1351600 4059.8542 20545.3592 14464.1159 251.7599 -203120.5441 2425.1390 0.0000 0.0000 51992.5684 -109381.7475 298.8020 -161374.3159 -109017.8414 299.2741 -40.5427 -17.9917 761120.6409 -8.7765 -8.9564 PRESSURE: 1351800 323.831 -100.582 -390.34 -100.583 -78.3965 165.557 -390.341 165.558 226.725 GPRESSURE: 1351800 385.911 -68.8702 -361.539 -113.484 -12.613 227.551 -288.306 116.82 186.188 PRESSAVG: 1351800 73.1755 15.5963 -76.9145 15.5962 -82.3963 45.4009 -76.9145 45.4009 -8.21202 GPRESSAVG: 1351800 73.8696 13.5574 -78.2973 15.8041 -81.7891 48.398 -74.9192 44.8053 -8.84623 TIMING: 1351800 CPU: 4259.85, 0.00314579/step Wall: 4259.85, 0.00314579/step, 3.18791 hours remaining, 238.457031 MB of memory in use. ENERGY: 1351800 4037.8838 20507.4211 14510.3999 238.9663 -202987.8491 2443.5386 0.0000 0.0000 52054.6373 -109195.0021 299.1587 -161249.6394 -108837.2202 299.4401 157.3863 186.4954 760857.2995 -5.8109 -5.5886 PRESSURE: 1352000 39.8802 239.467 -246.773 239.466 96.3737 -11.6649 -246.773 -11.6651 18.2753 GPRESSURE: 1352000 41.3436 111.837 -286.461 206.007 150.009 40.3261 -234.904 -56.6903 46.9112 PRESSAVG: 1352000 47.9465 -12.0335 18.5293 -12.0334 -36.1908 76.5578 18.5293 76.5578 16.1714 GPRESSAVG: 1352000 48.6706 -11.9834 19.0241 -12.167 -36.9961 76.433 17.731 77.581 16.648 TIMING: 1352000 CPU: 4260.47, 0.00313305/step Wall: 4260.47, 0.00313305/step, 3.17482 hours remaining, 238.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1352000 4015.0353 20587.3267 14459.7448 251.0960 -203311.2989 2643.6334 0.0000 0.0000 52222.7519 -109131.7108 300.1249 -161354.4627 -108772.8606 299.8289 51.5097 79.4213 761233.4654 9.3090 9.4408 PRESSURE: 1352200 -68.0206 20.4195 156.119 20.4201 -65.2504 123.337 156.119 123.338 212.582 GPRESSURE: 1352200 -58.6657 -4.18119 132.175 -187.295 -4.00927 70.3748 58.271 96.3283 229.2 PRESSAVG: 1352200 -16.0266 -46.5777 -52.7079 -46.5776 48.0506 7.38149 -52.7079 7.38146 -7.75776 GPRESSAVG: 1352200 -15.2703 -46.8782 -53.6578 -45.983 48.067 4.17719 -52.8096 5.43749 -8.65148 TIMING: 1352200 CPU: 4261.1, 0.00314217/step Wall: 4261.1, 0.00314217/step, 3.1839 hours remaining, 238.457031 MB of memory in use. ENERGY: 1352200 4006.5382 20472.0923 14486.5458 233.5113 -203113.1768 2765.3448 0.0000 0.0000 52161.9923 -108987.1521 299.7757 -161149.1444 -108623.8493 300.3041 26.4370 55.5084 763898.1331 8.0887 8.0484 LDB: ============= START OF LOAD BALANCING ============== 4273.49 LDB: ============== END OF LOAD BALANCING =============== 4273.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4273.5 LDB: ============= START OF LOAD BALANCING ============== 4273.81 LDB: Largest compute 7062 load 0.031783 is 16.2% of average load 0.196022 LDB: Average compute 0.004358 is 2.2% of average load 0.196022 LDB: TIME 4273.81 LOAD: AVG 0.196022 MAX 0.215642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.414 MB LDB: TIME 4273.82 LOAD: AVG 0.196022 MAX 0.215642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.617 MB LDB: TIME 4273.82 LOAD: AVG 0.196022 MAX 0.215642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.617 MB LDB: ============== END OF LOAD BALANCING =============== 4273.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4273.82 PRESSURE: 1352400 -57.426 38.7694 -66.5735 38.7693 -6.273 67.6486 -66.5743 67.6485 17.4079 GPRESSURE: 1352400 -96.5362 18.8299 2.95602 129.951 65.4207 81.4415 -145.095 -20.3393 47.8865 PRESSAVG: 1352400 -12.4753 -15.563 -11.1126 -15.563 -1.15793 70.0692 -11.1126 70.0693 4.96824 GPRESSAVG: 1352400 -15.3567 -16.4861 -9.9722 -15.3893 1.99761 72.6286 -11.9606 70.3887 4.25359 TIMING: 1352400 CPU: 4261.74, 0.00319639/step Wall: 4261.74, 0.00319639/step, 3.23866 hours remaining, 236.902344 MB of memory in use. ENERGY: 1352400 3989.1553 20479.3598 14515.7406 223.4508 -203054.7697 2553.1120 0.0000 0.0000 52220.2312 -109073.7198 300.1104 -161293.9510 -108705.4475 299.8398 -15.4304 5.5903 761789.6998 -2.8883 -3.0352 PRESSURE: 1352600 -126.261 -64.9518 -65.1959 -64.9517 -67.9377 -70.2195 -65.1955 -70.2187 -1.68457 GPRESSURE: 1352600 -36.3194 18.1038 -22.4415 -86.6872 -84.1643 -113.921 -74.4493 -90.9982 -4.96422 PRESSAVG: 1352600 28.3568 8.16648 -12.4876 8.16652 -29.3905 5.91194 -12.4876 5.91194 6.83669 GPRESSAVG: 1352600 30.1473 10.4188 -13.4817 7.37687 -31.7854 4.47041 -9.07163 7.62465 7.7577 TIMING: 1352600 CPU: 4262.37, 0.00314035/step Wall: 4262.37, 0.00314035/step, 3.1817 hours remaining, 236.902344 MB of memory in use. ENERGY: 1352600 3916.7054 20583.3863 14417.7442 243.8772 -203056.4410 2622.3765 0.0000 0.0000 52263.9556 -109008.3958 300.3617 -161272.3514 -108642.2032 300.0093 -65.2946 -41.8160 762329.9616 1.9343 2.0399 PRESSURE: 1352800 -216.971 -196.521 117.566 -196.52 -219.338 80.7625 117.565 80.7617 12.9083 GPRESSURE: 1352800 -219.773 -197.047 116.95 -216.586 -138.273 88.3467 -4.18716 101.316 27.0895 PRESSAVG: 1352800 14.1084 6.84577 -16.4797 6.84573 -18.3271 37.9363 -16.4797 37.9363 12.4039 GPRESSAVG: 1352800 13.4091 6.84539 -14.5256 8.39467 -17.8345 37.5917 -17.441 39.3045 12.6591 TIMING: 1352800 CPU: 4262.99, 0.00313531/step Wall: 4262.99, 0.00313531/step, 3.17641 hours remaining, 237.160156 MB of memory in use. ENERGY: 1352800 4063.1670 20425.1580 14420.4186 249.7413 -202531.3751 2258.6665 0.0000 0.0000 52192.1518 -108922.0718 299.9490 -161114.2236 -108558.8565 300.1548 -141.1334 -110.3191 762587.4743 2.7284 2.7446 PRESSURE: 1353000 275.297 75.365 -120.836 75.3645 -178.285 328.573 -120.836 328.573 34.0555 GPRESSURE: 1353000 172.676 -59.1236 -65.0798 84.3835 7.24587 331.917 -80.0765 291.045 35.7252 PRESSAVG: 1353000 -32.0534 -2.95136 -24.4631 -2.95133 72.1338 38.5484 -24.4632 38.5484 5.21459 GPRESSAVG: 1353000 -31.922 -6.27379 -26.276 -3.94495 72.0559 39.1452 -26.1227 36.302 5.07921 TIMING: 1353000 CPU: 4263.62, 0.00314139/step Wall: 4263.62, 0.00314139/step, 3.18241 hours remaining, 237.160156 MB of memory in use. ENERGY: 1353000 4006.2877 20494.6889 14440.2006 232.4449 -202602.7861 2254.7346 0.0000 0.0000 52095.8621 -109078.5672 299.3956 -161174.4293 -108719.5169 299.8057 43.6892 71.8824 761909.1990 15.0983 15.0710 PRESSURE: 1353200 47.8858 -177.364 -238.576 -177.363 173.638 -57.0273 -238.576 -57.028 49.8713 GPRESSURE: 1353200 -12.915 -300.178 -282.773 -86.4711 302.204 -71.5447 -289.222 -158.198 49.2922 PRESSAVG: 1353200 0.769588 7.95017 -31.3565 7.9502 52.6229 0.0831397 -31.3565 0.0831617 -27.0027 GPRESSAVG: 1353200 0.955744 7.58792 -31.1788 8.68227 52.8257 0.0105526 -30.7155 0.428699 -27.5298 TIMING: 1353200 CPU: 4264.25, 0.00314021/step Wall: 4264.25, 0.00314021/step, 3.18104 hours remaining, 237.160156 MB of memory in use. ENERGY: 1353200 4006.5189 20633.1369 14461.8478 247.2645 -203165.6682 2860.7774 0.0000 0.0000 52072.5733 -108883.5494 299.2618 -160956.1227 -108527.6400 300.8896 90.4652 112.8605 761393.3304 8.7966 8.7506 PRESSURE: 1353400 294.968 -339.801 111.871 -339.8 429.329 25.5159 111.871 25.5178 630.42 GPRESSURE: 1353400 246.195 -272.297 67.2106 -410.182 536.117 34.6642 94.3708 128.567 659.249 PRESSAVG: 1353400 -36.1474 -12.6289 -50.1743 -12.6289 71.9846 26.5559 -50.1743 26.5559 2.47383 GPRESSAVG: 1353400 -36.7424 -9.21198 -50.6352 -12.2981 72.6037 26.0071 -47.9306 26.6477 1.92602 TIMING: 1353400 CPU: 4264.88, 0.00312296/step Wall: 4264.88, 0.00312296/step, 3.16339 hours remaining, 237.160156 MB of memory in use. ENERGY: 1353400 3902.1977 20690.9280 14501.9188 246.5981 -203194.7078 2828.3331 0.0000 0.0000 52183.5381 -108841.1940 299.8995 -161024.7321 -108490.4223 300.5396 451.5721 480.5205 760317.4934 12.7703 12.5958 PRESSURE: 1353600 -80.2618 -273.346 203.569 -273.346 -7.31157 203.928 203.569 203.926 173.915 GPRESSURE: 1353600 -35.0629 -317.876 195.252 -195.982 -26.9384 179.93 130.343 182.168 220.539 PRESSAVG: 1353600 -53.1546 -10.4597 33.06 -10.4597 16.4963 22.8989 33.06 22.899 25.249 GPRESSAVG: 1353600 -52.9434 -10.7404 34.5614 -10.4875 15.4219 23.8176 31.8391 22.075 26.2224 TIMING: 1353600 CPU: 4265.5, 0.00313098/step Wall: 4265.5, 0.00313098/step, 3.17133 hours remaining, 237.160156 MB of memory in use. ENERGY: 1353600 3980.7161 20533.7522 14391.9169 261.8145 -202651.8764 2340.0745 0.0000 0.0000 52197.5683 -108946.0339 299.9801 -161143.6022 -108584.9411 300.1367 28.7806 52.8458 761835.7381 -3.8031 -3.7664 PRESSURE: 1353800 -347.467 -97.2348 -49.862 -97.2349 -70.4068 -96.1131 -49.8618 -96.1141 -216.916 GPRESSURE: 1353800 -332.757 68.1268 -76.4988 -75.589 -2.93876 -103.876 -90.403 -97.0402 -197.861 PRESSAVG: 1353800 11.699 31.2812 -8.26994 31.2812 16.7278 13.5379 -8.26998 13.538 9.58655 GPRESSAVG: 1353800 11.6637 30.8889 -8.30414 29.8089 16.2264 14.6117 -8.02462 16.0377 9.43414 TIMING: 1353800 CPU: 4266.13, 0.00312635/step Wall: 4266.13, 0.00312635/step, 3.16647 hours remaining, 237.160156 MB of memory in use. ENERGY: 1353800 3981.9614 20438.1248 14513.3605 234.2629 -202918.7899 2368.0302 0.0000 0.0000 52393.7333 -108989.3169 301.1075 -161383.0502 -108626.5392 299.8628 -211.5966 -177.8525 761007.8805 12.6711 12.4414 PRESSURE: 1354000 -239.681 -45.5295 118.856 -45.5297 68.8273 73.9914 118.856 73.9919 -172.933 GPRESSURE: 1354000 -250.549 -22.9127 149.785 -29.5093 99.7325 -36.737 58.494 -9.63566 -110.043 PRESSAVG: 1354000 -31.3059 -26.0926 -29.9122 -26.0926 77.6688 -30.4889 -29.9122 -30.4889 28.7683 GPRESSAVG: 1354000 -31.5977 -26.695 -29.8407 -25.385 78.2404 -30.7411 -31.0435 -32.494 28.4425 TIMING: 1354000 CPU: 4266.75, 0.00313185/step Wall: 4266.75, 0.00313185/step, 3.17187 hours remaining, 237.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1354000 4059.4429 20517.4030 14427.4375 257.2211 -203051.5881 2504.7475 0.0000 0.0000 52222.3214 -109063.0146 300.1224 -161285.3360 -108702.4358 300.2232 -114.5957 -86.9532 761222.4657 25.0437 25.0284 PRESSURE: 1354200 -54.4785 108.588 115.083 108.587 -121.386 -119.709 115.083 -119.709 330.723 GPRESSURE: 1354200 -97.0719 -10.9665 132.365 79.773 74.6429 -90.7848 51.5605 -135.007 263.254 PRESSAVG: 1354200 -53.1198 -36.5533 -12.4425 -36.5533 52.3135 -7.45692 -12.4425 -7.45684 8.81393 GPRESSAVG: 1354200 -53.6612 -34.3362 -12.7893 -38.3683 52.0718 -6.94783 -11.6897 -8.99839 9.31911 TIMING: 1354200 CPU: 4267.38, 0.00314155/step Wall: 4267.38, 0.00314155/step, 3.18152 hours remaining, 237.160156 MB of memory in use. ENERGY: 1354200 3994.9173 20419.1380 14484.0326 251.2903 -202855.2155 2374.6727 0.0000 0.0000 52287.4679 -109043.6966 300.4968 -161331.1645 -108676.7971 300.3970 51.6196 80.2750 761198.5862 2.6692 2.5766 PRESSURE: 1354400 -97.4371 31.0877 -49.1283 31.0872 -447.938 -137.791 -49.1283 -137.79 -211.832 GPRESSURE: 1354400 -89.1666 163.538 -72.0102 51.1546 -361.064 -122.75 -151.363 34.3637 -208.522 PRESSAVG: 1354400 32.512 20.2996 -46.4117 20.2997 11.2418 -40.8711 -46.4117 -40.8711 18.3464 GPRESSAVG: 1354400 32.8683 19.4543 -45.3529 20.6666 10.7591 -40.8745 -46.7668 -37.982 18.4386 TIMING: 1354400 CPU: 4268.01, 0.00313081/step Wall: 4268.01, 0.00313081/step, 3.17047 hours remaining, 237.160156 MB of memory in use. ENERGY: 1354400 3926.1060 20527.9985 14380.3519 249.4001 -202860.9256 2277.5011 0.0000 0.0000 52221.8707 -109277.6971 300.1198 -161499.5678 -108899.1787 300.5657 -252.4025 -219.5842 759852.1098 20.7001 20.6887 PRESSURE: 1354600 228.408 -196.585 108.095 -196.586 -76.9777 -28.5131 108.094 -28.514 59.5682 GPRESSURE: 1354600 216.901 -228.72 76.9032 -174.979 -54.3674 26.245 34.2094 -101.16 101.462 PRESSAVG: 1354600 -33.3927 17.756 -37.883 17.756 14.4509 -10.7048 -37.883 -10.7048 43.9758 GPRESSAVG: 1354600 -33.8804 15.6278 -40.2238 21.9586 14.6783 -10.969 -39.3911 -11.887 44.1764 TIMING: 1354600 CPU: 4268.63, 0.00313318/step Wall: 4268.63, 0.00313318/step, 3.17269 hours remaining, 237.160156 MB of memory in use. ENERGY: 1354600 3935.8445 20555.9683 14522.8369 265.1254 -203376.9902 2459.8397 0.0000 0.0000 52243.2468 -109394.1286 300.2427 -161637.3754 -109028.8357 299.7764 70.3328 87.9985 760852.2489 8.3447 8.3248 PRESSURE: 1354800 156.061 108.483 -150.465 108.483 -55.4721 -84.3255 -150.465 -84.3261 60.425 GPRESSURE: 1354800 219.983 -43.4247 -133.032 103.728 -33.244 -63.0696 -248.57 -175.626 43.2501 PRESSAVG: 1354800 -2.80898 -50.6181 -43.2855 -50.618 30.38 -41.7795 -43.2854 -41.7794 4.92604 GPRESSAVG: 1354800 -2.80171 -49.8646 -41.6584 -52.37 31.5881 -41.0087 -41.6893 -41.8507 3.646 TIMING: 1354800 CPU: 4269.26, 0.00311545/step Wall: 4269.26, 0.00311545/step, 3.15457 hours remaining, 237.160156 MB of memory in use. ENERGY: 1354800 3982.6657 20566.0255 14458.4096 249.6079 -203679.1717 2749.6057 0.0000 0.0000 52061.0392 -109611.8182 299.1955 -161672.8574 -109253.5479 299.1478 53.6713 76.6630 760754.3614 10.8324 10.8108 PRESSURE: 1355000 -205.93 -12.433 245.364 -12.4332 -87.1619 -188.09 245.365 -188.09 -12.5291 GPRESSURE: 1355000 -205.625 27.5803 308.165 131.382 -27.1579 -237.329 135.217 -166.599 41.141 PRESSAVG: 1355000 -52.7856 -27.9757 7.35189 -27.9756 46.7161 -28.2006 7.35184 -28.2006 -3.19389 GPRESSAVG: 1355000 -52.2508 -28.0204 5.92424 -27.0466 45.8018 -28.8851 7.30924 -29.7407 -2.02911 TIMING: 1355000 CPU: 4269.88, 0.00312167/step Wall: 4269.88, 0.00312167/step, 3.16069 hours remaining, 237.160156 MB of memory in use. ENERGY: 1355000 4062.9434 20389.8213 14455.7237 239.6657 -203319.4440 2556.4318 0.0000 0.0000 51998.5292 -109616.3289 298.8363 -161614.8581 -109262.4334 299.1933 -101.8735 -63.8806 761336.3778 -3.0878 -2.8260 PRESSURE: 1355200 -84.9322 191.346 -276.551 191.347 304.439 -42.8218 -276.551 -42.821 238.747 GPRESSURE: 1355200 49.6378 180.966 -316.106 272.28 275.055 -25.778 -298.541 -107.742 203.111 PRESSAVG: 1355200 -65.8891 -33.9341 6.98648 -33.9341 57.2124 -35.5123 6.98642 -35.5123 -16.1755 GPRESSAVG: 1355200 -65.8511 -31.8237 7.67055 -36.479 57.4814 -36.6908 7.27449 -34.858 -16.4827 TIMING: 1355200 CPU: 4270.51, 0.00313218/step Wall: 4270.51, 0.00313218/step, 3.17116 hours remaining, 237.160156 MB of memory in use. ENERGY: 1355200 3930.5536 20510.2669 14485.5041 246.9626 -203948.2411 3042.1290 0.0000 0.0000 52164.4378 -109568.3871 299.7897 -161732.8249 -109209.2954 299.1449 152.7510 175.9346 760446.3382 -8.2840 -8.2841 PRESSURE: 1355400 228.997 -72.4325 53.2381 -72.4325 -42.8456 -84.1159 53.2377 -84.1165 -343.437 GPRESSURE: 1355400 200.234 -83.9616 13.5999 -101.484 -30.5585 -62.3807 76.4678 -33.3607 -227.82 PRESSAVG: 1355400 2.3237 -59.8014 -25.7022 -59.8014 10.3366 -30.4438 -25.7023 -30.4439 -4.92097 GPRESSAVG: 1355400 2.27431 -60.3978 -26.3412 -60.4652 9.79907 -29.2568 -26.0354 -32.3052 -4.46742 TIMING: 1355400 CPU: 4271.14, 0.00313816/step Wall: 4271.14, 0.00313816/step, 3.17704 hours remaining, 237.160156 MB of memory in use. ENERGY: 1355400 3981.5257 20533.5574 14491.3674 250.4084 -203656.9898 2587.7388 0.0000 0.0000 52087.0897 -109725.3024 299.3452 -161812.3921 -109361.6558 299.1836 -52.4286 -19.3816 761114.3959 2.5798 2.5353 PRESSURE: 1355600 -129.009 -112.964 -32.3912 -112.965 213.02 -191.214 -32.3905 -191.214 -220.499 GPRESSURE: 1355600 -52.2393 -82.6627 -41.6361 -118.174 266.484 -195.491 45.7204 -117.205 -274.101 PRESSAVG: 1355600 13.4748 -9.95056 -44.7939 -9.95056 6.64045 2.56997 -44.7939 2.57004 -2.84081 GPRESSAVG: 1355600 14.9213 -10.6496 -43.2766 -9.05783 6.60772 2.86202 -45.5992 4.46528 -3.71199 TIMING: 1355600 CPU: 4271.76, 0.00312291/step Wall: 4271.76, 0.00312291/step, 3.16143 hours remaining, 237.160156 MB of memory in use. ENERGY: 1355600 4035.0736 20531.9826 14510.4513 242.3593 -203768.0311 2843.9776 0.0000 0.0000 51954.3957 -109649.7909 298.5826 -161604.1866 -109291.5187 298.7154 -45.4960 -19.9521 761095.2526 5.7581 5.9390 PRESSURE: 1355800 -232.407 76.0053 -251.834 76.0054 -334.838 -21.6442 -251.833 -21.6457 -16.1987 GPRESSURE: 1355800 -159.738 6.94678 -214.68 156.456 -362.513 -38.964 -311.386 -15.082 21.6975 PRESSAVG: 1355800 24.2488 0.295099 12.3157 0.295096 -9.75018 -17.2898 12.3157 -17.2898 -12.2792 GPRESSAVG: 1355800 22.5673 -0.577005 12.3676 1.56202 -9.36062 -18.0706 13.8261 -16.5314 -11.7812 TIMING: 1355800 CPU: 4272.39, 0.00312914/step Wall: 4272.39, 0.00312914/step, 3.16756 hours remaining, 237.160156 MB of memory in use. ENERGY: 1355800 3998.9209 20737.5193 14478.6193 256.2946 -203390.7632 2450.9127 0.0000 0.0000 51831.8412 -109636.6552 297.8783 -161468.4964 -109283.3165 299.1372 -194.4811 -166.8511 760167.7524 0.7398 0.4751 PRESSURE: 1356000 311.671 1.98877 207.331 1.99008 -9.75262 82.192 207.331 82.1918 465.803 GPRESSURE: 1356000 341.561 28.4192 221.132 8.93982 26.2839 48.9081 241.46 133.357 516.093 PRESSAVG: 1356000 1.67982 15.8482 -20.0908 15.8482 0.830366 -20.6763 -20.0909 -20.6763 -9.54824 GPRESSAVG: 1356000 1.27163 16.5807 -21.0419 14.5996 1.10143 -19.7523 -22.5825 -23.1565 -8.88146 TIMING: 1356000 CPU: 4273.01, 0.00312668/step Wall: 4273.01, 0.00312668/step, 3.1649 hours remaining, 237.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1356000 3968.9806 20648.7452 14458.7888 236.3777 -203810.3042 2879.4034 0.0000 0.0000 52164.7141 -109453.2945 299.7913 -161618.0086 -109078.4361 299.2103 255.9070 294.6459 759753.5668 -2.3460 -2.1695 PRESSURE: 1356200 174.901 -1.56978 -118.683 -1.57015 267.702 37.8963 -118.682 37.897 -301.109 GPRESSURE: 1356200 257.64 62.6986 -205.92 -2.57462 222.019 46.0737 -7.72386 115.607 -252.797 PRESSAVG: 1356200 -27.284 -28.2355 -14.7267 -28.2355 24.4346 -19.9887 -14.7267 -19.9888 1.75895 GPRESSAVG: 1356200 -26.1098 -27.2784 -14.6127 -30.7951 23.5708 -21.1384 -13.1896 -18.1103 1.60148 TIMING: 1356200 CPU: 4273.63, 0.0031152/step Wall: 4273.63, 0.0031152/step, 3.1531 hours remaining, 237.160156 MB of memory in use. ENERGY: 1356200 3968.4171 20693.3804 14480.2197 239.9731 -203321.8106 2496.0048 0.0000 0.0000 52031.6611 -109412.1545 299.0267 -161443.8156 -109058.1017 299.5178 47.1646 75.6207 760232.2011 -0.3635 -0.3125 LDB: ============= START OF LOAD BALANCING ============== 4286.03 LDB: ============== END OF LOAD BALANCING =============== 4286.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4286.03 LDB: ============= START OF LOAD BALANCING ============== 4286.35 LDB: Largest compute 7078 load 0.033344 is 17.0% of average load 0.195936 LDB: Average compute 0.004367 is 2.2% of average load 0.195936 LDB: TIME 4286.35 LOAD: AVG 0.195936 MAX 0.21545 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.754 MB LDB: TIME 4286.35 LOAD: AVG 0.195936 MAX 0.21545 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.957 MB LDB: TIME 4286.35 LOAD: AVG 0.195936 MAX 0.21545 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.957 MB LDB: ============== END OF LOAD BALANCING =============== 4286.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4286.36 PRESSURE: 1356400 -121.745 -20.2042 -98.2633 -20.2048 -372.775 -161.255 -98.2635 -161.256 -24.3022 GPRESSURE: 1356400 -180.962 -5.08116 -54.9837 50.8452 -319.32 -168.668 -139.127 -20.8525 64.0532 PRESSAVG: 1356400 18.2954 20.8498 -22.346 20.8498 29.6959 -22.6448 -22.346 -22.6447 -10.2167 GPRESSAVG: 1356400 18.049 17.8774 -21.478 24.0059 28.9612 -21.7246 -22.3603 -23.1974 -9.3283 TIMING: 1356400 CPU: 4274.27, 0.00319749/step Wall: 4274.27, 0.00319749/step, 3.23622 hours remaining, 238.914062 MB of memory in use. ENERGY: 1356400 4024.1166 20700.0905 14459.3633 254.4516 -203307.6798 2606.2461 0.0000 0.0000 51924.3620 -109339.0498 298.4100 -161263.4117 -108987.9604 299.2137 -172.9410 -145.4098 761118.2119 12.5915 12.5606 PRESSURE: 1356600 445.397 12.6422 -68.9168 12.6431 -350.969 64.681 -68.917 64.6821 300.678 GPRESSURE: 1356600 351.373 146.137 -40.9903 -87.2013 -152.219 96.4104 -151.161 32.4358 262.95 PRESSAVG: 1356600 78.9129 16.3511 -24.1867 16.3511 -39.0707 -8.18883 -24.1867 -8.18887 28.1659 GPRESSAVG: 1356600 78.3556 19.2385 -25.3208 16.1699 -38.4821 -7.45186 -24.6716 -7.65893 28.557 TIMING: 1356600 CPU: 4274.9, 0.00312393/step Wall: 4274.9, 0.00312393/step, 3.16159 hours remaining, 238.980469 MB of memory in use. ENERGY: 1356600 3942.0464 20680.9592 14475.5923 245.2922 -203444.8411 2757.6083 0.0000 0.0000 52066.9067 -109276.4361 299.2292 -161343.3428 -108918.4936 299.3600 131.7020 154.0346 761711.0934 22.6694 22.8102 PRESSURE: 1356800 409.47 -59.0482 55.6854 -59.048 143.024 82.9846 55.6852 82.9848 -194.247 GPRESSURE: 1356800 458.507 -68.3658 56.682 -90.8001 165.445 -15.1816 175.38 75.4297 -164.812 PRESSAVG: 1356800 2.13392 -71.6894 -45.3047 -71.6894 38.169 24.6942 -45.3048 24.6942 -8.60906 GPRESSAVG: 1356800 2.46766 -72.2368 -46.1966 -71.9931 38.7256 23.5092 -44.2221 23.6825 -9.90318 TIMING: 1356800 CPU: 4275.52, 0.00312613/step Wall: 4275.52, 0.00312613/step, 3.16364 hours remaining, 238.980469 MB of memory in use. ENERGY: 1356800 4067.3200 20523.2063 14441.9861 234.5280 -203758.8223 2839.4250 0.0000 0.0000 52242.8796 -109409.4773 300.2405 -161652.3568 -109052.6315 299.8056 119.4158 153.0464 759704.3963 10.5646 10.4300 PRESSURE: 1357000 -161.544 50.5388 -89.4542 50.5389 -251.944 42.1592 -89.4527 42.159 248.615 GPRESSURE: 1357000 -207.978 -17.6339 -118.826 19.538 -177.303 22.4558 -44.224 36.2491 304.693 PRESSAVG: 1357000 65.8682 6.64801 -37.3189 6.64795 -37.4974 85.2369 -37.3189 85.2369 -10.3673 GPRESSAVG: 1357000 65.8283 7.3473 -37.0474 5.61925 -37.9014 86.1657 -39.0861 85.9808 -9.86103 TIMING: 1357000 CPU: 4276.15, 0.00312864/step Wall: 4276.15, 0.00312864/step, 3.16601 hours remaining, 238.980469 MB of memory in use. ENERGY: 1357000 4042.3255 20542.9254 14433.0170 246.5822 -203548.0953 2487.1796 0.0000 0.0000 52365.5841 -109430.4815 300.9457 -161796.0656 -109063.5368 299.5048 -54.9578 -26.8628 760761.1714 6.0012 6.0220 PRESSURE: 1357200 -63.6169 -43.8744 4.26568 -43.8744 -83.0403 139.194 4.26609 139.194 -312.274 GPRESSURE: 1357200 -11.7869 -12.4422 9.33366 46.777 -49.5051 190.447 -43.6651 140.727 -293.521 PRESSAVG: 1357200 26.6898 30.7581 1.42553 30.7581 -54.1104 -12.4288 1.42545 -12.4288 9.62048 GPRESSAVG: 1357200 28.138 30.6039 3.31296 32.9479 -55.5846 -14.5332 2.3345 -12.6695 9.64012 TIMING: 1357200 CPU: 4276.78, 0.00313493/step Wall: 4276.78, 0.00313493/step, 3.1722 hours remaining, 238.980469 MB of memory in use. ENERGY: 1357200 3995.9028 20589.0595 14478.4212 247.5421 -203074.8541 2479.3663 0.0000 0.0000 51783.0299 -109501.5323 297.5978 -161284.5622 -109144.7662 299.4662 -152.9770 -118.2709 761941.8446 -5.9334 -5.9355 PRESSURE: 1357400 42.2153 24.5558 -237.508 24.556 44.4962 61.5896 -237.507 61.5885 354.732 GPRESSURE: 1357400 -5.57215 -62.5457 -204.935 49.4039 88.1366 22.4279 -193.137 78.8919 454.291 PRESSAVG: 1357400 36.5261 -17.0658 -11.0215 -17.0658 -12.46 31.8714 -11.0215 31.8713 16.4652 GPRESSAVG: 1357400 36.7711 -18.544 -11.2499 -16.5046 -12.3694 34.8334 -11.7362 32.3951 16.3771 TIMING: 1357400 CPU: 4277.4, 0.0031252/step Wall: 4277.4, 0.0031252/step, 3.16218 hours remaining, 238.980469 MB of memory in use. ENERGY: 1357400 3966.2704 20390.2831 14554.8853 236.9879 -203483.5935 2776.8778 0.0000 0.0000 52219.8877 -109338.4013 300.1084 -161558.2890 -108966.9480 299.2838 147.1478 178.9519 759797.5563 13.5104 13.5929 PRESSURE: 1357600 97.0643 -52.779 -15.2468 -52.7789 -145.909 16.1197 -15.2472 16.1204 70.1758 GPRESSURE: 1357600 130.948 -117.446 -81.3455 -80.3718 -31.9038 88.9949 -20.9943 5.48805 -5.74859 PRESSAVG: 1357600 30.1351 32.0579 12.1976 32.058 -36.5942 -32.1631 12.1976 -32.1631 -5.2929 GPRESSAVG: 1357600 29.8532 30.8448 12.7699 29.911 -35.5279 -33.2501 10.6942 -33.3359 -6.13398 TIMING: 1357600 CPU: 4278.03, 0.0031227/step Wall: 4278.03, 0.0031227/step, 3.15948 hours remaining, 238.980469 MB of memory in use. ENERGY: 1357600 3909.6534 20424.9473 14509.9725 245.0381 -203129.4042 2540.4338 0.0000 0.0000 52340.2481 -109159.1110 300.8001 -161499.3591 -108789.0763 299.5943 7.1102 31.0984 762301.2928 -3.9173 -3.9362 PRESSURE: 1357800 291.183 -45.5188 -20.48 -45.519 -266.137 75.7922 -20.4798 75.7918 -547.073 GPRESSURE: 1357800 287.976 -111.032 68.2226 -78.7961 -181.563 60.5526 -86.2092 97.6113 -539.263 PRESSAVG: 1357800 -3.35401 54.3411 15.9797 54.3412 16.8812 19.4751 15.9797 19.4751 1.11442 GPRESSAVG: 1357800 -3.19604 57.1949 15.0441 53.6166 16.6872 17.9702 16.7567 20.2622 0.930287 TIMING: 1357800 CPU: 4278.65, 0.00313468/step Wall: 4278.65, 0.00313468/step, 3.17142 hours remaining, 238.980469 MB of memory in use. ENERGY: 1357800 4049.3019 20478.3153 14483.5037 240.7009 -203080.7903 2472.2217 0.0000 0.0000 52148.4570 -109208.2898 299.6979 -161356.7468 -108850.2924 300.1706 -174.0093 -144.2832 761946.6552 4.8805 4.8072 PRESSURE: 1358000 266.367 -27.6886 -73.3018 -27.6885 185.478 -22.6992 -73.3017 -22.699 513.817 GPRESSURE: 1358000 342.439 -58.4183 -42.1869 35.5956 190.841 53.6501 -28.3653 80.4188 532.916 PRESSAVG: 1358000 -45.0206 -67.589 13.2863 -67.5889 -43.2631 83.2263 13.2862 83.2264 8.14329 GPRESSAVG: 1358000 -45.3903 -68.043 13.2435 -66.7627 -42.9134 83.7811 13.9323 85.3298 8.37784 TIMING: 1358000 CPU: 4279.28, 0.00314701/step Wall: 4279.28, 0.00314701/step, 3.18373 hours remaining, 238.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1358000 4000.9710 20302.2157 14497.3320 243.4797 -203238.6744 2684.8996 0.0000 0.0000 52203.9100 -109305.8664 300.0166 -161509.7764 -108939.4917 299.4894 321.8876 355.3988 761911.5749 -26.7135 -26.6419 PRESSURE: 1358200 317.657 -280.413 77.8576 -280.412 118.641 122.682 77.8566 122.681 574.927 GPRESSURE: 1358200 331.729 -135.291 107.56 -302.682 159.464 234.021 -86.1032 286.807 615.785 PRESSAVG: 1358200 -66.3383 -2.05328 -1.30701 -2.05327 20.3629 20.4544 -1.30704 20.4545 -21.2675 GPRESSAVG: 1358200 -68.1722 -2.07169 -1.40382 -1.77402 20.2166 21.6087 -1.21175 18.4714 -19.0769 TIMING: 1358200 CPU: 4279.91, 0.0031334/step Wall: 4279.91, 0.0031334/step, 3.16978 hours remaining, 238.980469 MB of memory in use. ENERGY: 1358200 3950.0982 20538.9177 14482.6205 240.5690 -203286.5421 2609.7694 0.0000 0.0000 51907.3075 -109557.2599 298.3120 -161464.5674 -109197.5088 299.2814 337.0752 368.9926 760559.4060 -22.4143 -22.3442 PRESSURE: 1358400 -134.454 -89.9138 -140.452 -89.9139 -261.86 -26.4599 -140.454 -26.4599 -143.358 GPRESSURE: 1358400 -53.8976 -124.579 -130.311 -121.7 -249.812 -135.739 -49.0812 108.204 -153.083 PRESSAVG: 1358400 27.1113 4.8629 31.0568 4.86296 -35.0991 9.94847 31.0568 9.94838 -1.63523 GPRESSAVG: 1358400 28.8827 3.42656 29.2855 4.56104 -33.4823 9.82772 33.1104 10.1147 -4.58278 TIMING: 1358400 CPU: 4280.54, 0.00315193/step Wall: 4280.54, 0.00315193/step, 3.18835 hours remaining, 238.980469 MB of memory in use. ENERGY: 1358400 4023.6029 20367.5799 14487.7519 240.7225 -203149.0848 2497.3667 0.0000 0.0000 51919.4857 -109612.5753 298.3820 -161532.0610 -109252.5739 299.1481 -179.8907 -152.2644 762243.2450 -3.2077 -3.0608 PRESSURE: 1358600 -82.9418 135.393 -8.22128 135.393 -102.698 117.338 -8.22149 117.339 -504.591 GPRESSURE: 1358600 47.6359 97.082 -52.8636 126.881 -146.859 178.925 26.215 192.236 -491.683 PRESSAVG: 1358600 4.67345 15.6829 15.3678 15.6829 -24.24 36.53 15.3678 36.53 11.5207 GPRESSAVG: 1358600 4.67452 16.4176 15.9585 16.8864 -26.0826 35.1504 13.1674 36.1934 13.5882 TIMING: 1358600 CPU: 4281.17, 0.00313629/step Wall: 4281.17, 0.00313629/step, 3.17235 hours remaining, 238.980469 MB of memory in use. ENERGY: 1358600 4036.7221 20397.2688 14504.0800 225.5780 -203293.7226 2455.2223 0.0000 0.0000 52106.7523 -109568.0992 299.4582 -161674.8515 -109200.8915 298.4573 -230.0769 -196.9685 761356.7297 -2.6819 -2.6066 PRESSURE: 1358800 -68.9448 158.042 -139.792 158.042 -165.846 49.6163 -139.792 49.6157 -492.811 GPRESSURE: 1358800 -24.6065 56.5168 -55.3902 151.813 -95.5204 -0.2964 -114.195 138.861 -513.891 PRESSAVG: 1358800 2.7355 91.9049 1.62554 91.9048 2.62205 51.5883 1.6256 51.5883 16.156 GPRESSAVG: 1358800 3.26746 93.1136 4.42234 90.8827 3.32644 51.5559 2.57315 54.4626 14.8839 TIMING: 1358800 CPU: 4281.79, 0.00312774/step Wall: 4281.79, 0.00312774/step, 3.16354 hours remaining, 238.980469 MB of memory in use. ENERGY: 1358800 3981.9865 20359.3557 14453.7907 241.2216 -203041.7914 2551.8266 0.0000 0.0000 51936.9250 -109516.6854 298.4822 -161453.6104 -109158.7380 298.2920 -242.5338 -211.3393 762747.3301 7.1712 7.1593 PRESSURE: 1359000 -426.645 -285.227 -111.114 -285.227 -210.311 -185.822 -111.114 -185.823 149.838 GPRESSURE: 1359000 -384.201 -309.008 54.4736 -106.217 -200.07 -163.856 -155.637 -163.889 218.618 PRESSAVG: 1359000 -3.77229 44.4556 -23.9336 44.4556 -19.7626 24.8013 -23.9336 24.8013 -21.5578 GPRESSAVG: 1359000 -4.88469 44.1974 -26.2358 43.0853 -19.6267 24.7832 -23.223 22.7325 -20.9713 TIMING: 1359000 CPU: 4282.42, 0.00313976/step Wall: 4282.42, 0.00313976/step, 3.17552 hours remaining, 238.980469 MB of memory in use. ENERGY: 1359000 3996.4441 20432.9886 14499.5214 244.6872 -202908.1325 2173.7726 0.0000 0.0000 52083.9400 -109476.7786 299.3271 -161560.7186 -109119.0260 298.9042 -162.3729 -121.8845 764084.1237 -15.0309 -15.1609 PRESSURE: 1359200 -44.3335 94.4571 -66.7676 94.4568 -166.106 33.9222 -66.7686 33.9215 -329.557 GPRESSURE: 1359200 -23.6155 124.566 -147.025 71.4757 -153.43 15.0489 -15.6957 65.2535 -298.07 PRESSAVG: 1359200 -82.1869 -14.9672 -20.5282 -14.9672 62.687 -6.19754 -20.5282 -6.19755 23.1997 GPRESSAVG: 1359200 -82.1175 -16.4945 -20.3009 -14.2408 62.3321 -6.36713 -22.1382 -6.04705 22.8968 TIMING: 1359200 CPU: 4283.05, 0.00314365/step Wall: 4283.05, 0.00314365/step, 3.17927 hours remaining, 238.980469 MB of memory in use. ENERGY: 1359200 3991.1521 20486.5278 14387.2747 237.1883 -203518.7187 2753.6306 0.0000 0.0000 52072.8518 -109590.0934 299.2634 -161662.9452 -109236.2056 298.7250 -179.9991 -158.3716 763103.6291 1.2332 1.0371 PRESSURE: 1359400 -54.8828 116.864 16.9697 116.864 171.048 -23.7864 16.97 -23.7881 47.6062 GPRESSURE: 1359400 104.044 144.956 1.9684 104.734 96.1507 -1.85307 -0.137704 60.3792 27.1092 PRESSAVG: 1359400 -4.17997 51.3739 -17.854 51.3739 -32.9801 -2.31176 -17.8539 -2.31188 -0.503267 GPRESSAVG: 1359400 -2.09516 50.943 -17.1465 51.1981 -35.6015 -2.02011 -17.6969 -2.77255 -0.467452 TIMING: 1359400 CPU: 4283.68, 0.00314778/step Wall: 4283.68, 0.00314778/step, 3.18328 hours remaining, 238.980469 MB of memory in use. ENERGY: 1359400 3900.4734 20498.7530 14543.4587 238.2981 -203261.1719 2588.7637 0.0000 0.0000 51946.0711 -109545.3538 298.5348 -161491.4250 -109196.6426 298.1880 54.5903 75.7681 761707.5840 -12.5544 -12.7214 PRESSURE: 1359600 -33.2793 -78.2316 -40.0726 -78.2317 -166.255 -41.9347 -40.073 -41.9346 -312.951 GPRESSURE: 1359600 -48.1561 -57.7004 -107.83 1.32561 -82.346 -122.024 -53.6441 -3.13361 -296.57 PRESSAVG: 1359600 1.93698 -20.5584 -22.8868 -20.5584 -5.28186 33.3178 -22.8869 33.3177 -2.94384 GPRESSAVG: 1359600 0.156108 -18.2385 -24.3909 -18.6816 -3.58624 34.0441 -20.5244 33.556 -2.85214 TIMING: 1359600 CPU: 4284.31, 0.00315272/step Wall: 4284.31, 0.00315272/step, 3.1881 hours remaining, 238.980469 MB of memory in use. ENERGY: 1359600 4013.8153 20291.2433 14544.0785 268.3945 -203414.5480 2526.3399 0.0000 0.0000 52175.2384 -109595.4382 299.8518 -161770.6766 -109236.0328 298.6389 -170.8285 -142.3574 762158.5801 -2.0962 -2.0941 PRESSURE: 1359800 -47.5404 -16.8338 150.135 -16.8335 -205.641 197.025 150.134 197.025 184.598 GPRESSURE: 1359800 -35.6144 -76.6314 215.026 100.336 -53.5967 221.587 89.7297 135.751 95.6188 PRESSAVG: 1359800 -16.2061 65.293 22.2714 65.2929 21.7065 3.93921 22.2714 3.93929 21.0272 GPRESSAVG: 1359800 -16.6113 63.3365 23.3616 62.8001 22.029 2.74737 19.7461 3.78377 20.9618 TIMING: 1359800 CPU: 4284.94, 0.00314751/step Wall: 4284.94, 0.00314751/step, 3.18266 hours remaining, 238.980469 MB of memory in use. ENERGY: 1359800 3883.2462 20302.1238 14462.9418 251.3960 -202649.2356 2177.8475 0.0000 0.0000 51772.1045 -109799.5759 297.5350 -161571.6804 -109438.5194 298.4186 -22.8611 2.1359 763548.1981 8.8425 8.7932 PRESSURE: 1360000 7.57504 -15.0047 -68.5631 -15.0056 -225.808 35.2636 -68.563 35.263 77.1886 GPRESSURE: 1360000 2.86694 -100.741 -43.406 77.327 -124.372 41.7075 -25.9758 15.8989 59.044 PRESSAVG: 1360000 -30.3998 27.1126 -5.00084 27.1126 6.93965 -0.175341 -5.00069 -0.175314 -23.8216 GPRESSAVG: 1360000 -28.847 28.1175 -6.61467 28.0159 5.59585 1.51364 -4.01878 -1.21001 -23.4626 TIMING: 1360000 CPU: 4285.57, 0.00313567/step Wall: 4285.57, 0.00313567/step, 3.17051 hours remaining, 238.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1360000 3971.6134 20455.0043 14543.6112 220.7594 -203686.0320 2761.0696 0.0000 0.0000 51685.0516 -110048.9224 297.0347 -161733.9740 -109695.3853 297.6319 -47.0148 -20.8205 761746.5782 -15.7606 -15.5712 PRESSURE: 1360200 -431.276 -183.754 -145.939 -183.754 -151.314 109.878 -145.938 109.878 -173.376 GPRESSURE: 1360200 -448.272 -244.618 -231.726 -148.26 -169.361 66.6869 -125.759 161.481 -70.7836 PRESSAVG: 1360200 -49.2315 -51.5454 -23.1092 -51.5453 23.3408 12.8033 -23.1092 12.8032 0.426716 GPRESSAVG: 1360200 -50.3252 -52.6134 -23.1464 -51.1387 24.0945 11.1747 -23.6148 14.3841 0.941894 TIMING: 1360200 CPU: 4286.19, 0.0031267/step Wall: 4286.19, 0.0031267/step, 3.16126 hours remaining, 238.980469 MB of memory in use. ENERGY: 1360200 3942.6215 20219.2788 14497.1074 240.3200 -203148.9350 2275.8145 0.0000 0.0000 51899.2775 -110074.5153 298.2659 -161973.7928 -109699.5889 298.0071 -251.9887 -229.4721 761026.8602 -8.4880 -8.4296 LDB: ============= START OF LOAD BALANCING ============== 4298.59 LDB: ============== END OF LOAD BALANCING =============== 4298.59 LDB: =============== DONE WITH MIGRATION ================ 4298.59 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 4298.91 LDB: Largest compute 7078 load 0.031659 is 16.2% of average load 0.196002 LDB: Average compute 0.004371 is 2.2% of average load 0.196002 LDB: TIME 4298.91 LOAD: AVG 0.196002 MAX 0.216658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.562 MB LDB: TIME 4298.91 LOAD: AVG 0.196002 MAX 0.216658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.562 MB LDB: TIME 4298.91 LOAD: AVG 0.196002 MAX 0.216658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.562 MB LDB: ============== END OF LOAD BALANCING =============== 4298.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4298.92 PRESSURE: 1360400 345.718 -153.39 175.495 -153.39 174.731 187.957 175.496 187.954 95.0393 GPRESSURE: 1360400 381.745 -39.9693 106.431 -55.0408 156.618 177.538 61.4834 113.999 163.201 PRESSAVG: 1360400 1.17674 26.2516 -34.5304 26.2516 3.61505 -6.10355 -34.5304 -6.10361 22.0387 GPRESSAVG: 1360400 0.77051 26.6404 -33.9424 24.79 4.31445 -5.59867 -36.1079 -6.4361 22.3435 TIMING: 1360400 CPU: 4286.83, 0.00321348/step Wall: 4286.83, 0.00321348/step, 3.24883 hours remaining, 238.105469 MB of memory in use. ENERGY: 1360400 3928.3501 20272.1137 14451.1435 251.1845 -203616.1710 2760.6260 0.0000 0.0000 52024.2827 -109928.4705 298.9843 -161952.7532 -109563.5511 297.4074 205.1629 233.8549 759155.5898 8.9435 9.1428 PRESSURE: 1360600 314.68 53.0594 -147.671 53.06 -164.126 32.3501 -147.67 32.3506 468.459 GPRESSURE: 1360600 350.24 84.9264 -92.1038 95.8542 -61.9433 -23.6453 -18.1232 11.8975 415.319 PRESSAVG: 1360600 3.32164 21.4156 2.18011 21.4156 -18.8045 13.4446 2.18017 13.4445 -1.12751 GPRESSAVG: 1360600 4.21752 22.5424 2.72518 23.3956 -18.3114 13.5546 3.57811 14.648 -2.27891 TIMING: 1360600 CPU: 4287.47, 0.00315792/step Wall: 4287.47, 0.00315792/step, 3.19248 hours remaining, 238.347656 MB of memory in use. ENERGY: 1360600 3964.6986 20428.2743 14471.4428 258.7633 -203413.2207 2691.7224 0.0000 0.0000 51860.3536 -109737.9657 298.0422 -161598.3193 -109374.3782 297.7087 206.3375 234.5384 759137.4595 -5.5368 -5.4576 PRESSURE: 1360800 15.1433 26.4849 104.279 26.4853 -85.228 42.7969 104.28 42.7963 -449.04 GPRESSURE: 1360800 43.8185 -86.5137 -61.486 18.4853 -23.4432 16.927 63.7609 114.327 -424.282 PRESSAVG: 1360800 9.35755 -22.3575 -1.38993 -22.3575 4.71508 37.5816 -1.3899 37.5816 -2.04065 GPRESSAVG: 1360800 9.14619 -24.6304 -1.88604 -22.8879 4.73033 36.9738 -2.3492 36.884 -2.08515 TIMING: 1360800 CPU: 4288.09, 0.00313463/step Wall: 4288.09, 0.00313463/step, 3.16877 hours remaining, 238.347656 MB of memory in use. ENERGY: 1360800 3972.3906 20387.7611 14519.0552 260.7362 -203706.5062 2561.3031 0.0000 0.0000 52056.8511 -109948.4089 299.1714 -162005.2600 -109573.6690 298.2968 -173.0416 -134.6355 759792.1092 4.0107 3.9305 PRESSURE: 1361000 -241.76 101.806 -177.535 101.806 -216.068 271.01 -177.535 271.01 -42.4619 GPRESSURE: 1361000 -252.502 18.9626 -276.322 146.113 -159.01 272.072 -200.008 217.958 3.69135 PRESSAVG: 1361000 -13.5831 -36.3738 -22.0561 -36.3739 36.3963 55.1879 -22.0561 55.1878 -4.63789 GPRESSAVG: 1361000 -13.2459 -37.9295 -22.3691 -36.9325 34.9958 56.6874 -23.2831 54.9387 -3.2971 TIMING: 1361000 CPU: 4288.72, 0.0031303/step Wall: 4288.72, 0.0031303/step, 3.16422 hours remaining, 238.347656 MB of memory in use. ENERGY: 1361000 3991.2127 20538.3385 14458.8979 247.3343 -203323.6150 2466.0571 0.0000 0.0000 51779.3012 -109842.4733 297.5764 -161621.7745 -109484.6460 297.9350 -166.7631 -135.9402 761217.8897 6.0584 6.1509 PRESSURE: 1361200 -329.265 -218.379 87.1928 -218.379 140.014 8.34737 87.1933 8.34828 -160.286 GPRESSURE: 1361200 -337.367 -199.383 89.974 -227.957 131.437 -25.5253 173.112 -156.03 -87.4872 PRESSAVG: 1361200 -39.3657 11.5329 -23.457 11.5329 17.3359 11.9239 -23.457 11.9239 20.2251 GPRESSAVG: 1361200 -40.6036 13.2608 -21.9791 11.329 19.442 12.1624 -21.6346 12.4172 19.4649 TIMING: 1361200 CPU: 4289.34, 0.00312893/step Wall: 4289.34, 0.00312893/step, 3.16266 hours remaining, 238.347656 MB of memory in use. ENERGY: 1361200 3988.1941 20474.8658 14556.7293 263.8214 -203574.7985 2774.5772 0.0000 0.0000 51863.4746 -109653.1362 298.0601 -161516.6108 -109295.1822 298.5211 -116.5123 -97.8058 761166.7861 -0.6016 -0.5656 PRESSURE: 1361400 29.9862 -210.205 -52.7282 -210.204 -471.084 40.8327 -52.7289 40.8327 -217.891 GPRESSURE: 1361400 117.41 -73.0061 -214.024 -112.499 -410.241 52.8609 -49.6011 2.05242 -289.185 PRESSAVG: 1361400 3.99848 -57.1287 -14.2159 -57.1287 -1.13012 23.3957 -14.2159 23.3959 27.9461 GPRESSAVG: 1361400 5.82078 -57.2656 -15.3042 -55.9925 -0.590839 22.8828 -14.5022 22.5636 25.7252 TIMING: 1361400 CPU: 4289.97, 0.00314695/step Wall: 4289.97, 0.00314695/step, 3.18069 hours remaining, 238.347656 MB of memory in use. ENERGY: 1361400 3958.6639 20473.4804 14523.2606 228.2426 -203560.8517 2448.2433 0.0000 0.0000 52205.7372 -109723.2236 300.0271 -161928.9608 -109358.9408 298.6110 -219.6630 -194.0057 760108.4571 10.2715 10.3184 PRESSURE: 1361600 -238.841 61.8933 195.691 61.8928 262.96 -31.2858 195.692 -31.2867 156.152 GPRESSURE: 1361600 -156.236 31.5347 168.552 36.812 206.094 -23.341 147.906 5.30867 206.454 PRESSAVG: 1361600 -7.18687 -33.7681 46.8261 -33.7681 -0.0530236 30.5613 46.8261 30.5613 0.719341 GPRESSAVG: 1361600 -6.57583 -33.8248 46.4754 -35.0271 -2.13214 31.1044 47.3463 32.3361 2.39996 TIMING: 1361600 CPU: 4290.6, 0.00315155/step Wall: 4290.6, 0.00315155/step, 3.18517 hours remaining, 238.347656 MB of memory in use. ENERGY: 1361600 3926.0174 20422.7347 14507.3813 244.1625 -203793.3649 2892.5784 0.0000 0.0000 51748.9780 -110051.5125 297.4021 -161800.4905 -109685.3384 298.6328 60.0906 85.4374 762234.0079 -2.1735 -2.1027 PRESSURE: 1361800 -198.318 296.629 -221.301 296.628 109.11 -325.638 -221.301 -325.639 -322.532 GPRESSURE: 1361800 -181.07 268.294 -121.273 194.516 133.669 -296.37 -220.581 -218.246 -290.749 PRESSAVG: 1361800 26.2981 -15.6096 18.7351 -15.6096 -16.9981 -5.47742 18.7351 -5.47743 -9.87251 GPRESSAVG: 1361800 25.8915 -16.4242 20.061 -14.222 -15.4777 -6.65479 17.5975 -5.90885 -10.939 TIMING: 1361800 CPU: 4291.23, 0.00314877/step Wall: 4291.23, 0.00314877/step, 3.18218 hours remaining, 238.347656 MB of memory in use. ENERGY: 1361800 3984.2171 20422.7540 14515.0825 231.8614 -203651.1452 2640.7516 0.0000 0.0000 51764.3944 -110092.0841 297.4907 -161856.4786 -109734.7016 297.5472 -137.2466 -112.7165 761509.7088 -0.1908 -0.1751 PRESSURE: 1362000 -142.681 -132.319 -136.28 -132.32 -4.0732 4.863 -136.281 4.86267 201.754 GPRESSURE: 1362000 -101.958 -55.7654 -111.507 -148.279 -60.9826 25.6826 -50.4973 -8.71186 300.067 PRESSAVG: 1362000 -0.199227 -4.39308 -28.2234 -4.39311 -25.7715 -25.9154 -28.2234 -25.9153 -9.51487 GPRESSAVG: 1362000 -0.344159 -3.63468 -29.0796 -7.27852 -25.9594 -26.9899 -28.5704 -27.387 -8.80154 TIMING: 1362000 CPU: 4291.86, 0.00314248/step Wall: 4291.86, 0.00314248/step, 3.17565 hours remaining, 238.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1362000 4011.8533 20426.9821 14510.0907 237.9151 -203478.9556 2284.6908 0.0000 0.0000 51936.8878 -110070.5358 298.4820 -162007.4236 -109715.0132 297.8184 18.3333 45.7089 758679.1096 -11.8285 -11.7017 PRESSURE: 1362200 4.84418 -43.3295 -80.2981 -43.329 327.936 -130.263 -80.298 -130.263 123.267 GPRESSURE: 1362200 90.9388 38.0534 11.7719 -50.2088 361.922 -106.538 -161.115 -45.7252 87.031 PRESSAVG: 1362200 66.5642 9.58562 -48.184 9.58562 -28.3554 63.7084 -48.1839 63.7084 5.4282 GPRESSAVG: 1362200 66.5147 10.6347 -48.4129 10.4135 -27.6484 63.9421 -46.9314 66.3174 4.85408 TIMING: 1362200 CPU: 4292.49, 0.00314834/step Wall: 4292.49, 0.00314834/step, 3.1814 hours remaining, 238.347656 MB of memory in use. ENERGY: 1362200 3996.5538 20498.7105 14493.2548 233.4659 -203734.5016 2768.6353 0.0000 0.0000 51922.0700 -109821.8112 298.3969 -161743.8813 -109464.6665 298.2994 152.0159 179.9640 759318.1790 14.5457 14.5735 PRESSURE: 1362400 -411.643 -121.753 -139.185 -121.754 -265.644 -165.355 -139.185 -165.356 -154.187 GPRESSURE: 1362400 -433.057 -115.147 -104.836 -152.648 -240.628 -141.218 -149.886 -138.828 -80.5952 PRESSAVG: 1362400 -34.7553 -2.50196 -97.0001 -2.50193 9.47472 -24.1057 -97.0001 -24.1057 -14.3094 GPRESSAVG: 1362400 -34.513 -2.50597 -97.1618 -1.63323 8.36458 -23.2058 -98.0369 -25.5923 -13.5835 TIMING: 1362400 CPU: 4293.12, 0.0031431/step Wall: 4293.12, 0.0031431/step, 3.17593 hours remaining, 238.347656 MB of memory in use. ENERGY: 1362400 3909.8408 20555.8542 14535.1520 259.7091 -203617.0841 2569.0933 0.0000 0.0000 52013.1719 -109774.2629 298.9204 -161787.4348 -109410.8566 298.4570 -277.1582 -251.4265 761502.7504 -13.1967 -13.2440 PRESSURE: 1362600 -190.479 -191.24 -155.567 -191.24 185.23 -156.096 -155.567 -156.095 164.479 GPRESSURE: 1362600 -126.768 -85.7777 -161.559 -213.438 176.072 -223.589 103.139 -94.6173 185.519 PRESSAVG: 1362600 20.4827 33.3947 -38.4418 33.3947 -11.7463 -28.9387 -38.4418 -28.9387 14.9965 GPRESSAVG: 1362600 19.8887 34.4999 -38.4587 31.8323 -10.4744 -28.1716 -36.1758 -27.0745 14.5708 TIMING: 1362600 CPU: 4293.75, 0.00314189/step Wall: 4293.75, 0.00314189/step, 3.17453 hours remaining, 238.347656 MB of memory in use. ENERGY: 1362600 3960.2630 20550.1499 14517.5695 259.3093 -203510.9857 2618.8994 0.0000 0.0000 51918.2834 -109686.5112 298.3751 -161604.7946 -109334.6537 298.5195 53.0767 78.2743 760598.9144 7.9109 7.9950 PRESSURE: 1362800 -0.926784 89.4227 70.3911 89.4226 -124.333 108.84 70.3908 108.841 -3.85023 GPRESSURE: 1362800 58.7393 36.0839 57.7346 59.1398 -60.0889 202.363 -83.8882 35.4338 -33.6719 PRESSAVG: 1362800 -7.5204 -11.4188 11.1788 -11.4188 -9.67247 2.06194 11.1788 2.06201 27.3463 GPRESSAVG: 1362800 -7.87538 -12.1843 12.67 -11.69 -9.03758 0.598481 9.72125 0.527471 26.8147 TIMING: 1362800 CPU: 4294.38, 0.00313898/step Wall: 4294.38, 0.00313898/step, 3.17142 hours remaining, 238.347656 MB of memory in use. ENERGY: 1362800 3964.3317 20535.5796 14581.6513 251.3598 -203470.2332 2707.8841 0.0000 0.0000 51749.3578 -109680.0687 297.4043 -161429.4265 -109325.7733 298.3784 -43.0368 -11.6738 763186.0174 3.3845 3.3006 PRESSURE: 1363000 -70.6909 -59.9757 62.1754 -59.9741 -242.4 -26.7893 62.1752 -26.7896 111.922 GPRESSURE: 1363000 -97.8945 -64.6804 13.2881 -5.00167 -126.194 52.9892 91.9299 -20.925 116.458 PRESSAVG: 1363000 -12.756 -0.142751 22.1061 -0.142707 46.6022 -45.5698 22.1061 -45.5698 -13.6646 GPRESSAVG: 1363000 -10.9205 -0.926184 20.3184 3.01903 45.3098 -43.6859 23.0386 -45.3919 -13.8904 TIMING: 1363000 CPU: 4295, 0.00313811/step Wall: 4295, 0.00313811/step, 3.17037 hours remaining, 238.347656 MB of memory in use. ENERGY: 1363000 3948.1723 20555.2318 14470.4775 251.2503 -203910.4945 3009.4940 0.0000 0.0000 52114.7463 -109561.1225 299.5042 -161675.8688 -109202.4953 298.5830 -67.0562 -35.8769 762247.6191 6.7272 6.8330 PRESSURE: 1363200 529.876 -208.493 115.262 -208.494 -94.3728 17.2529 115.262 17.2531 46.1354 GPRESSURE: 1363200 458.793 -188.596 96.7233 -218.843 49.0422 -13.9688 136.847 18.0049 49.0404 PRESSAVG: 1363200 -10.0202 -40.6526 0.827372 -40.6526 28.8833 28.063 0.827445 28.063 17.409 GPRESSAVG: 1363200 -10.8809 -38.7277 0.695185 -41.975 29.5974 27.4217 -0.339931 27.1893 17.4074 TIMING: 1363200 CPU: 4295.63, 0.00313733/step Wall: 4295.63, 0.00313733/step, 3.1694 hours remaining, 238.347656 MB of memory in use. ENERGY: 1363200 3971.9947 20466.1221 14467.2332 261.1343 -204061.0280 3087.8250 0.0000 0.0000 52188.6099 -109618.1088 299.9287 -161806.7187 -109252.7885 298.8011 160.5462 185.6253 761091.1585 12.0907 12.0413 PRESSURE: 1363400 342.472 -115.141 106.072 -115.14 353.513 -7.39708 106.071 -7.39606 308.248 GPRESSURE: 1363400 443.273 -72.1573 89.0037 -208.486 340.558 14.5709 182.073 70.7681 304.484 PRESSAVG: 1363400 0.321179 5.27354 8.86266 5.2736 -10.1342 -10.7231 8.86266 -10.7231 -13.2221 GPRESSAVG: 1363400 0.511048 1.4487 9.60694 6.67988 -11.7991 -11.2834 9.52126 -10.1545 -12.0882 TIMING: 1363400 CPU: 4296.26, 0.00314352/step Wall: 4296.26, 0.00314352/step, 3.17548 hours remaining, 238.347656 MB of memory in use. ENERGY: 1363400 3954.2194 20572.7041 14417.7677 252.5854 -204135.3746 2949.2999 0.0000 0.0000 52003.7496 -109985.0487 298.8663 -161988.7983 -109616.4379 298.4342 334.7446 362.7716 760194.9805 -7.6784 -7.7921 PRESSURE: 1363600 70.3966 -233.964 -38.4867 -233.964 -165.516 189.682 -38.4873 189.681 129.082 GPRESSURE: 1363600 69.4704 -164.7 -11.7566 -208.862 -173.352 209.819 -82.28 72.0483 190.939 PRESSAVG: 1363600 7.37822 -81.3835 4.2652 -81.3834 9.34574 -12.1645 4.26519 -12.1645 19.3075 GPRESSAVG: 1363600 6.29464 -79.1711 5.26689 -84.4672 9.84227 -11.5433 3.96775 -11.9727 19.4884 TIMING: 1363600 CPU: 4296.89, 0.00314006/step Wall: 4296.89, 0.00314006/step, 3.17181 hours remaining, 238.347656 MB of memory in use. ENERGY: 1363600 4008.4843 20652.4282 14448.9218 252.7413 -203891.1696 2572.5839 0.0000 0.0000 51884.9764 -110071.0337 298.1837 -161956.0101 -109716.2657 298.1445 11.3207 29.0191 760410.8122 12.0105 11.8751 PRESSURE: 1363800 -192.784 46.4687 350.822 46.4684 -121.233 -317.078 350.822 -317.08 15.017 GPRESSURE: 1363800 -188.741 85.7812 353.726 130.226 22.3476 -271.181 258.585 -244.132 -38.1657 PRESSAVG: 1363800 16.7188 -45.7082 1.51272 -45.7082 -3.93586 5.12342 1.51273 5.12341 11.1795 GPRESSAVG: 1363800 16.5277 -45.2628 -1.62778 -43.1822 -2.47218 4.23287 1.8236 6.58857 9.82445 TIMING: 1363800 CPU: 4297.52, 0.00314417/step Wall: 4297.52, 0.00314417/step, 3.17579 hours remaining, 238.347656 MB of memory in use. ENERGY: 1363800 3993.2305 20414.8965 14394.4122 240.4533 -203882.6488 2663.0102 0.0000 0.0000 52085.4350 -110091.2112 299.3357 -162176.6462 -109731.7992 298.1876 -99.6666 -68.1863 761311.3320 7.9875 7.9600 PRESSURE: 1364000 -6.57728 56.3553 74.3826 56.3549 -19.9862 -91.3065 74.384 -91.3063 -19.3055 GPRESSURE: 1364000 69.5613 194.4 67.3242 98.2804 -6.82697 -75.1235 43.7542 -232.596 -22.7353 PRESSAVG: 1364000 -7.01149 -13.511 -54.7387 -13.511 -12.5925 18.6896 -54.7387 18.6895 -24.9519 GPRESSAVG: 1364000 -7.13788 -13.152 -52.7307 -13.5233 -14.0939 18.32 -55.8343 17.5898 -23.8935 TIMING: 1364000 CPU: 4298.15, 0.0031434/step Wall: 4298.15, 0.0031434/step, 3.17483 hours remaining, 238.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1364000 3960.8790 20409.7662 14462.5054 265.8909 -203162.5791 2671.5288 0.0000 0.0000 51828.2990 -109563.7098 297.8579 -161392.0089 -109195.4912 298.5047 -15.2897 13.3330 760598.8985 -14.8520 -15.0418 PRESSURE: 1364200 -16.1016 -16.5373 -20.8158 -16.5368 -6.29472 -90.1777 -20.8161 -90.1774 8.97221 GPRESSURE: 1364200 -53.5204 -12.4088 75.7847 -143.837 90.9941 -80.1985 -88.8093 -130.834 33.4254 PRESSAVG: 1364200 -25.9664 -23.019 -23.0303 -23.019 27.2727 -30.5457 -23.0303 -30.5457 2.4643 GPRESSAVG: 1364200 -25.7695 -24.5955 -21.5345 -24.2351 27.8252 -28.5619 -24.2958 -29.2278 2.09025 TIMING: 1364200 CPU: 4298.77, 0.003132/step Wall: 4298.77, 0.003132/step, 3.16315 hours remaining, 238.347656 MB of memory in use. ENERGY: 1364200 3995.3022 20431.9069 14487.6662 242.7325 -203410.6904 2906.7559 0.0000 0.0000 51777.6160 -109568.7107 297.5667 -161346.3266 -109210.4593 298.6426 -4.4747 23.6330 762048.2892 1.2569 1.3820 LDB: ============= START OF LOAD BALANCING ============== 4311.17 LDB: ============== END OF LOAD BALANCING =============== 4311.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4311.17 LDB: ============= START OF LOAD BALANCING ============== 4311.49 LDB: Largest compute 7062 load 0.030941 is 15.8% of average load 0.196012 LDB: Average compute 0.004359 is 2.2% of average load 0.196012 LDB: TIME 4311.49 LOAD: AVG 0.196012 MAX 0.216521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.438 MB LDB: TIME 4311.49 LOAD: AVG 0.196012 MAX 0.216521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.504 MB LDB: TIME 4311.49 LOAD: AVG 0.196012 MAX 0.216521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.504 MB LDB: ============== END OF LOAD BALANCING =============== 4311.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4311.5 PRESSURE: 1364400 -247.264 -228.718 -124.352 -228.717 3.8432 1.2469 -124.353 1.24715 -293.277 GPRESSURE: 1364400 -186.528 -25.8781 -108.923 -275.916 28.0501 -138.721 -96.2345 -8.61711 -307.635 PRESSAVG: 1364400 13.1132 -11.5892 -32.9871 -11.5893 5.74288 -44.8549 -32.987 -44.8549 -18.0084 GPRESSAVG: 1364400 13.2973 -11.5848 -34.0717 -11.119 4.86644 -46.1083 -32.0986 -44.9784 -17.8371 TIMING: 1364400 CPU: 4299.42, 0.00321237/step Wall: 4299.42, 0.00321237/step, 3.24414 hours remaining, 238.605469 MB of memory in use. ENERGY: 1364400 4010.4369 20616.5215 14453.7543 234.7537 -203357.4047 2545.5354 0.0000 0.0000 51888.9190 -109607.4839 298.2063 -161496.4029 -109262.4383 298.8182 -178.8992 -155.3712 760839.5757 0.2825 0.1089 PRESSURE: 1364600 -327.617 148.973 90.0323 148.973 -63.8609 -58.992 90.0329 -58.9924 -503.978 GPRESSURE: 1364600 -345.471 106.698 134.14 151.99 49.9231 -1.642 85.4175 20.9213 -526.707 PRESSAVG: 1364600 -44.5506 7.1893 5.45339 7.18931 42.5009 -21.8514 5.45334 -21.8513 -15.9514 GPRESSAVG: 1364600 -45.4499 8.68682 6.32902 7.51249 41.3652 -20.9288 5.65264 -22.2147 -14.4442 TIMING: 1364600 CPU: 4300.04, 0.00314209/step Wall: 4300.04, 0.00314209/step, 3.17299 hours remaining, 238.675781 MB of memory in use. ENERGY: 1364600 4031.9505 20439.8436 14434.4239 246.4573 -203026.7620 2401.6399 0.0000 0.0000 51818.8466 -109653.6002 297.8036 -161472.4468 -109291.4595 298.8027 -298.4853 -274.0848 763722.4866 -6.0004 -6.1763 PRESSURE: 1364800 -161.751 7.60844 -188.751 7.60877 -216.038 -166.583 -188.751 -166.584 -318.659 GPRESSURE: 1364800 -246.295 67.5522 -94.3762 -108.515 -117.206 -116.96 -386.862 -172.783 -239.351 PRESSAVG: 1364800 10.1313 1.52379 54.0136 1.52386 14.9011 -25.0997 54.0137 -25.0996 -3.31837 GPRESSAVG: 1364800 10.5601 -0.838108 54.049 3.37229 16.5038 -24.189 54.6542 -28.1673 -4.91717 TIMING: 1364800 CPU: 4300.68, 0.00316228/step Wall: 4300.68, 0.00316228/step, 3.1932 hours remaining, 238.675781 MB of memory in use. ENERGY: 1364800 3978.4265 20428.9183 14483.5799 232.9372 -203210.2659 2451.1003 0.0000 0.0000 51952.9957 -109682.3080 298.5746 -161635.3037 -109329.1399 298.2928 -232.1493 -200.9506 761305.1235 7.2380 7.3822 PRESSURE: 1365000 -107.136 150.756 -285.826 150.756 49.3111 27.1288 -285.826 27.1282 80.2162 GPRESSURE: 1365000 -46.913 212.285 -297.43 131.92 51.4519 93.6856 -359.831 -75.4638 113.939 PRESSAVG: 1365000 43.9592 21.1964 11.4997 21.1964 -4.89192 -28.67 11.4997 -28.6701 13.9342 GPRESSAVG: 1365000 44.6049 22.2034 11.2586 20.0371 -5.29598 -30.6061 9.57254 -27.0219 13.7376 TIMING: 1365000 CPU: 4301.31, 0.0031479/step Wall: 4301.31, 0.00314791/step, 3.17851 hours remaining, 238.675781 MB of memory in use. ENERGY: 1365000 3929.0021 20490.6699 14537.1794 243.6734 -203167.8965 2426.5922 0.0000 0.0000 51762.7710 -109778.0085 297.4814 -161540.7795 -109418.2763 298.4645 7.4638 39.4927 761395.6199 17.6672 17.6822 PRESSURE: 1365200 -38.0578 156.456 45.8314 156.457 -396.3 -235.084 45.8314 -235.085 -102.356 GPRESSURE: 1365200 -48.7806 -31.463 -15.372 259.844 -348.916 -154.475 239.468 -339.951 -67.5973 PRESSAVG: 1365200 1.32329 -6.37995 -5.17443 -6.37995 20.0956 -18.7026 -5.17446 -18.7026 4.85633 GPRESSAVG: 1365200 2.07298 -5.57603 -7.78426 -7.50907 18.4779 -18.697 -1.59587 -18.1108 4.98855 TIMING: 1365200 CPU: 4301.94, 0.0031549/step Wall: 4301.94, 0.0031549/step, 3.1854 hours remaining, 238.675781 MB of memory in use. ENERGY: 1365200 3985.6474 20506.7546 14483.0646 232.0677 -203393.0036 2657.0491 0.0000 0.0000 51773.5615 -109754.8588 297.5434 -161528.4203 -109386.8177 298.5228 -178.9047 -155.0981 763064.6010 8.7584 8.5132 PRESSURE: 1365400 59.7834 -14.7399 -27.225 -14.7393 -48.814 38.1405 -27.2256 38.1399 102.66 GPRESSURE: 1365400 94.8654 1.06129 56.7344 11.3761 -5.44421 57.4218 -0.85651 81.4113 99.7682 PRESSAVG: 1365400 30.3576 -17.2787 30.3122 -17.2787 -20.228 -2.22915 30.3122 -2.22906 -17.425 GPRESSAVG: 1365400 29.4645 -16.7843 31.7513 -16.82 -18.6337 -1.21279 28.2457 -1.99232 -18.0209 TIMING: 1365400 CPU: 4302.57, 0.00314792/step Wall: 4302.57, 0.00314792/step, 3.17818 hours remaining, 238.675781 MB of memory in use. ENERGY: 1365400 3935.7900 20397.4974 14473.8620 251.6712 -203695.3804 2916.7759 0.0000 0.0000 51955.1131 -109764.6708 298.5867 -161719.7839 -109408.2543 298.6367 37.8763 63.0631 761543.5087 -2.4318 -2.3967 PRESSURE: 1365600 110.142 -26.4628 18.5216 -26.4628 -408.547 -196.763 18.5212 -196.764 52.5722 GPRESSURE: 1365600 67.6174 -90.6647 -8.54161 30.274 -313.396 -157.131 92.5284 -226.529 76.521 PRESSAVG: 1365600 0.937919 -16.9096 9.79312 -16.9097 -24.6773 -29.2124 9.7931 -29.2123 -1.27317 GPRESSAVG: 1365600 -0.181433 -18.9179 11.0734 -16.5379 -24.653 -29.1951 7.70554 -29.5122 -0.584999 TIMING: 1365600 CPU: 4303.2, 0.00315211/step Wall: 4303.2, 0.00315211/step, 3.18224 hours remaining, 238.675781 MB of memory in use. ENERGY: 1365600 3972.0269 20495.1600 14419.2644 233.6366 -203239.6565 2508.6620 0.0000 0.0000 51957.8250 -109653.0817 298.6023 -161610.9067 -109297.8977 298.2408 -81.9443 -56.4193 761097.4969 -8.3375 -8.4732 PRESSURE: 1365800 87.4996 -167.148 -124.778 -167.148 259.578 -10.4407 -124.778 -10.4417 435.409 GPRESSURE: 1365800 194.458 -201.916 -103.34 -145.297 235.698 -63.2008 -88.522 71.2186 427.647 PRESSAVG: 1365800 2.93503 -14.4422 1.33016 -14.4422 -16.3843 -23.3857 1.33019 -23.3857 12.6359 GPRESSAVG: 1365800 3.58099 -13.3844 -0.617194 -15.4712 -17.7882 -24.3533 3.62556 -22.5789 13.1044 TIMING: 1365800 CPU: 4303.82, 0.00312969/step Wall: 4303.82, 0.00312969/step, 3.15942 hours remaining, 238.675781 MB of memory in use. ENERGY: 1365800 3962.3052 20359.2458 14412.5994 266.9876 -203678.8764 2888.7247 0.0000 0.0000 52018.0336 -109770.9801 298.9484 -161789.0137 -109417.8177 298.2512 260.8291 285.9344 761054.5028 -0.2711 -0.3676 PRESSURE: 1366000 138.044 -90.3811 -15.6576 -90.3807 76.5475 82.2335 -15.6577 82.2326 -59.252 GPRESSURE: 1366000 112.259 -37.1571 43.2664 -178.584 141.158 59.2604 22.3949 -34.6738 -23.2737 PRESSAVG: 1366000 -57.4942 42.7334 -33.3748 42.7334 53.1252 33.9122 -33.3748 33.9123 14.1287 GPRESSAVG: 1366000 -57.1807 43.6659 -32.0006 42.9496 53.4774 34.194 -34.9034 32.768 13.1203 TIMING: 1366000 CPU: 4304.45, 0.00312971/step Wall: 4304.45, 0.00312971/step, 3.15927 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1366000 3981.2885 20435.6459 14366.1027 260.1092 -203751.6655 2903.4157 0.0000 0.0000 52144.0318 -109661.0717 299.6725 -161805.1035 -109292.3234 298.7010 51.7799 76.7147 760391.1403 3.2532 3.1390 PRESSURE: 1366200 -29.4005 48.0151 -93.5113 48.0157 43.0288 -199.452 -93.5109 -199.452 240.706 GPRESSURE: 1366200 39.8562 35.6953 -143.387 148.318 81.0943 -189.922 -127.085 -240.854 198.488 PRESSAVG: 1366200 32.6462 81.5969 -5.25386 81.5969 -24.3271 -31.6569 -5.25386 -31.6569 10.8109 GPRESSAVG: 1366200 31.22 80.0176 -5.49641 81.8252 -23.6988 -31.4964 -4.56211 -30.4966 11.7555 TIMING: 1366200 CPU: 4305.08, 0.00314527/step Wall: 4305.08, 0.00314527/step, 3.1748 hours remaining, 238.675781 MB of memory in use. ENERGY: 1366200 3948.7419 20490.0881 14454.0988 227.4966 -203091.1324 2501.5204 0.0000 0.0000 51893.9029 -109575.2836 298.2350 -161469.1865 -109214.2555 298.6173 84.7780 106.4795 759993.9760 6.3767 6.4256 PRESSURE: 1366400 262.982 119.139 -50.5287 119.14 120.252 3.16485 -50.5291 3.16501 -427.349 GPRESSURE: 1366400 298.897 247.081 -96.1719 53.4585 185.338 10.7399 -99.1478 70.7415 -448.11 PRESSAVG: 1366400 -19.3677 -13.5692 63.5772 -13.5692 11.3133 -5.15452 63.5771 -5.15454 -8.78805 GPRESSAVG: 1366400 -17.0994 -10.667 64.4823 -14.1984 10.8319 -6.19716 63.5136 -5.53079 -10.347 TIMING: 1366400 CPU: 4305.71, 0.00313837/step Wall: 4305.71, 0.00313837/step, 3.16766 hours remaining, 238.675781 MB of memory in use. ENERGY: 1366400 4066.7441 20271.0292 14451.5931 239.2119 -203799.9262 3026.2506 0.0000 0.0000 52151.2579 -109593.8395 299.7140 -161745.0974 -109241.5454 298.9392 -14.7046 12.0415 759938.9956 -5.6142 -5.5382 PRESSURE: 1366600 -113.381 35.9841 -148.401 35.9845 -183.112 -410.554 -148.401 -410.553 350.044 GPRESSURE: 1366600 -54.6829 -1.77353 -131.7 -98.2923 -191.398 -367.849 -159.59 -402.982 390.554 PRESSAVG: 1366600 47.4404 20.2719 32.8278 20.2719 -27.4711 -28.5188 32.8277 -28.5189 17.5169 GPRESSAVG: 1366600 46.0871 19.3264 31.7085 20.1339 -27.1901 -27.7514 33.1282 -27.2497 18.6316 TIMING: 1366600 CPU: 4306.33, 0.00312774/step Wall: 4306.33, 0.00312774/step, 3.15676 hours remaining, 238.675781 MB of memory in use. ENERGY: 1366600 3995.2175 20341.1012 14463.5889 250.8173 -203102.2550 2470.5113 0.0000 0.0000 52088.2959 -109492.7230 299.3522 -161581.0189 -109139.3401 298.8499 17.8504 48.1576 759674.3512 12.4954 12.5095 PRESSURE: 1366800 -206.652 -126.986 103.645 -126.986 17.9621 -30.9956 103.645 -30.9958 -191.653 GPRESSURE: 1366800 -129.585 -92.6969 144.954 -96.4617 57.8272 -146.33 84.3924 -2.95307 -241.248 PRESSAVG: 1366800 -32.4049 29.147 10.6568 29.147 62.1136 -5.14557 10.6568 -5.14552 -2.92819 GPRESSAVG: 1366800 -32.194 26.4376 9.06651 32.0976 62.747 -5.43896 10.3514 -3.54615 -3.51659 TIMING: 1366800 CPU: 4306.96, 0.00314824/step Wall: 4306.96, 0.00314824/step, 3.17728 hours remaining, 238.675781 MB of memory in use. ENERGY: 1366800 4020.0058 20446.7613 14546.1088 238.6280 -203116.7646 2301.5176 0.0000 0.0000 52252.8552 -109310.8879 300.2979 -161563.7431 -108944.3482 299.3995 -126.7810 -104.3351 759137.5628 8.9268 9.0121 PRESSURE: 1367000 -229.298 138.73 39.5643 138.729 124.619 25.0981 39.5637 25.0978 174.913 GPRESSURE: 1367000 -166.687 101.975 73.7425 92.7757 160.055 -69.6756 152.17 8.38404 168.558 PRESSAVG: 1367000 30.9586 22.8058 14.9568 22.8057 -47.8055 -38.4749 14.9568 -38.4749 7.24106 GPRESSAVG: 1367000 30.8556 24.7205 17.2789 22.8066 -48.3288 -37.7634 15.053 -40.687 8.63771 TIMING: 1367000 CPU: 4307.59, 0.00314674/step Wall: 4307.59, 0.00314674/step, 3.17558 hours remaining, 238.675781 MB of memory in use. ENERGY: 1367000 3930.8316 20551.3547 14425.3481 245.3036 -203339.7670 2623.2435 0.0000 0.0000 52190.7429 -109372.9425 299.9409 -161563.6854 -109008.4647 299.4021 23.4112 53.9751 759364.5741 -3.2019 -2.9452 PRESSURE: 1367200 -103.627 76.5749 71.011 76.574 -282.025 94.7934 71.0113 94.7926 -160.619 GPRESSURE: 1367200 -115.747 -27.8708 47.1288 -10.3828 -226.044 165.984 135 -40.9426 -124.393 PRESSAVG: 1367200 1.78084 -7.48525 17.0491 -7.48525 -29.1734 -26.646 17.0491 -26.646 0.85039 GPRESSAVG: 1367200 2.45796 -7.47538 16.5161 -10.464 -28.8202 -26.3971 17.2895 -27.1689 0.0701506 TIMING: 1367200 CPU: 4308.22, 0.00314309/step Wall: 4308.22, 0.00314309/step, 3.17173 hours remaining, 238.675781 MB of memory in use. ENERGY: 1367200 4008.3162 20649.5738 14458.0603 253.6945 -203363.1323 2368.5535 0.0000 0.0000 52152.8016 -109472.1324 299.7229 -161624.9340 -109122.4443 299.7677 -182.0902 -155.3946 761397.9687 -8.8474 -8.7640 PRESSURE: 1367400 -231.486 -144.839 88.4734 -144.839 -125.966 84.7058 88.4742 84.705 132.505 GPRESSURE: 1367400 -253.974 -47.4054 66.25 -103.567 -100.302 109.398 69.9553 -42.3695 203.994 PRESSAVG: 1367400 12.2072 -39.8464 9.42229 -39.8464 -5.56857 -24.1714 9.42226 -24.1713 -5.63138 GPRESSAVG: 1367400 11.9947 -40.1903 9.57454 -39.8331 -5.3992 -24.2534 11.4918 -22.2954 -5.50486 TIMING: 1367400 CPU: 4308.84, 0.00312617/step Wall: 4308.84, 0.00312617/step, 3.15448 hours remaining, 238.675781 MB of memory in use. ENERGY: 1367400 3987.5894 20541.5429 14488.4723 251.8447 -203488.4208 2571.6177 0.0000 0.0000 51884.0841 -109763.2697 298.1785 -161647.3538 -109415.5618 299.5803 -74.9825 -50.0938 760601.2171 0.3358 0.3635 PRESSURE: 1367600 -50.4303 114.023 34.0326 114.022 81.447 -14.1016 34.0322 -14.1 -266.677 GPRESSURE: 1367600 31.2641 119.392 30.5853 -46.6035 103.338 19.7103 70.6664 -125.23 -281.854 PRESSAVG: 1367600 14.0538 -41.27 25.4589 -41.27 4.4214 -16.0296 25.4589 -16.0296 1.10091 GPRESSAVG: 1367600 16.0025 -41.9623 25.8865 -40.8665 2.82557 -17.2324 22.9301 -17.879 0.717072 TIMING: 1367600 CPU: 4309.47, 0.00312521/step Wall: 4309.47, 0.00312521/step, 3.15333 hours remaining, 238.675781 MB of memory in use. ENERGY: 1367600 4062.0561 20515.6959 14464.3883 238.3510 -203912.4807 2637.2329 0.0000 0.0000 52159.5823 -109835.1743 299.7618 -161994.7566 -109475.7331 299.0989 -78.5533 -49.0838 759805.1567 6.5254 6.5150 PRESSURE: 1367800 47.1339 -39.0017 107.15 -39.0022 54.4684 187.155 107.151 187.155 -46.2362 GPRESSURE: 1367800 137.92 -29.837 97.5732 13.4931 132.181 101.396 84.0853 107.161 -123.692 PRESSAVG: 1367800 -4.05867 8.34761 39.1736 8.34763 16.5323 44.4434 39.1736 44.4434 -6.46634 GPRESSAVG: 1367800 -5.62229 9.15472 39.6228 9.22773 17.1839 44.7729 36.3483 45.3264 -5.59775 TIMING: 1367800 CPU: 4310.09, 0.00312665/step Wall: 4310.09, 0.00312665/step, 3.15461 hours remaining, 238.675781 MB of memory in use. ENERGY: 1367800 3973.5365 20272.2169 14465.3067 248.5989 -203766.2526 2663.8454 0.0000 0.0000 52004.2366 -110138.5115 298.8691 -162142.7481 -109774.5333 298.5291 18.4554 48.8028 762335.8833 2.0024 1.9880 PRESSURE: 1368000 -2.99511 47.9904 223.651 47.9896 -338.919 94.7662 223.651 94.7674 -36.8504 GPRESSURE: 1368000 36.583 -11.1188 164.871 35.0084 -297.395 95.9979 371.326 134.63 -49.4673 PRESSAVG: 1368000 -0.547847 12.6776 18.8864 12.6776 50.2634 39.9836 18.8864 39.9835 -5.8155 GPRESSAVG: 1368000 -1.60521 10.6448 18.2751 12.6298 50.6316 41.4659 21.0299 39.944 -4.99538 TIMING: 1368000 CPU: 4310.72, 0.00314584/step Wall: 4310.72, 0.00314584/step, 3.1738 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1368000 4067.5510 20526.4139 14515.2700 235.6002 -203964.7162 2766.7287 0.0000 0.0000 51830.2869 -110022.8655 297.8694 -161853.1524 -109667.2788 298.5250 -126.2547 -103.4263 761794.9853 14.6333 14.6770 PRESSURE: 1368200 -88.8323 59.5659 134.301 59.5663 37.6373 47.5054 134.302 47.5057 -269.443 GPRESSURE: 1368200 -99.255 47.8535 75.7154 45.8158 66.2924 32.8687 226.529 162.212 -230.452 PRESSAVG: 1368200 26.0441 -10.7422 55.4413 -10.7423 -9.5044 61.0837 55.4413 61.0836 -2.97782 GPRESSAVG: 1368200 26.9149 -10.7783 53.9391 -11.7419 -8.87266 59.7294 55.7974 62.7829 -4.31681 TIMING: 1368200 CPU: 4311.35, 0.00314365/step Wall: 4311.35, 0.00314365/step, 3.17142 hours remaining, 238.675781 MB of memory in use. ENERGY: 1368200 4068.3654 20505.5187 14463.2956 259.7653 -203860.3533 2621.0738 0.0000 0.0000 51971.8063 -109970.5281 298.6827 -161942.3344 -109621.8348 298.1739 -106.8795 -87.8048 761118.3885 4.5206 4.5751 LDB: ============= START OF LOAD BALANCING ============== 4323.75 LDB: ============== END OF LOAD BALANCING =============== 4323.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4323.75 LDB: ============= START OF LOAD BALANCING ============== 4324.07 LDB: Largest compute 7062 load 0.031825 is 16.2% of average load 0.195983 LDB: Average compute 0.004370 is 2.2% of average load 0.195983 LDB: TIME 4324.07 LOAD: AVG 0.195983 MAX 0.21575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.918 MB LDB: TIME 4324.07 LOAD: AVG 0.195983 MAX 0.21575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.918 MB LDB: TIME 4324.07 LOAD: AVG 0.195983 MAX 0.21575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.918 MB LDB: ============== END OF LOAD BALANCING =============== 4324.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4324.08 PRESSURE: 1368400 24.249 38.9079 243.404 38.9076 -93.778 -30.5098 243.404 -30.5092 116.93 GPRESSURE: 1368400 138.692 132.483 249.187 -15.8102 -105.41 -78.912 193.881 -17.3497 84.4226 PRESSAVG: 1368400 -40.1933 -23.4897 49.3443 -23.4898 24.716 27.9437 49.3444 27.9436 -5.9456 GPRESSAVG: 1368400 -39.968 -22.3919 50.2068 -22.4595 24.4154 27.627 49.1402 26.2734 -6.69074 TIMING: 1368400 CPU: 4311.99, 0.00320787/step Wall: 4311.99, 0.00320787/step, 3.23603 hours remaining, 237.835938 MB of memory in use. ENERGY: 1368400 3945.4218 20523.4346 14501.3353 251.9003 -203902.0475 2581.4592 0.0000 0.0000 52098.8844 -109999.6119 299.4130 -162098.4963 -109640.7158 298.3910 15.8004 39.2348 760453.5297 -7.1409 -7.4145 PRESSURE: 1368600 -315.06 76.7016 87.8724 76.7021 -213.654 44.7159 87.8721 44.7155 -220.92 GPRESSURE: 1368600 -115.159 70.9466 108.168 291.143 -290.931 -1.85824 76.3001 126.126 -250.039 PRESSAVG: 1368600 31.0901 12.0113 18.3466 12.0112 -54.0673 32.7062 18.3466 32.7062 -2.51656 GPRESSAVG: 1368600 31.0526 11.2857 17.5688 11.315 -54.7489 33.4389 19.8588 32.2266 -1.66726 TIMING: 1368600 CPU: 4312.62, 0.0031295/step Wall: 4312.62, 0.0031295/step, 3.15679 hours remaining, 237.835938 MB of memory in use. ENERGY: 1368600 3995.1459 20634.2909 14489.3499 241.0396 -203229.2612 2290.9129 0.0000 0.0000 51860.8696 -109717.6524 298.0451 -161578.5220 -109363.8862 298.6331 -249.8779 -218.7094 762554.1080 -8.4979 -8.4545 PRESSURE: 1368800 181.002 -7.71866 149.004 -7.71871 137.458 187.314 149.005 187.313 -141.657 GPRESSURE: 1368800 233.16 96.3448 139.777 -69.25 212.39 199.418 -29.1168 69.2938 -170.847 PRESSAVG: 1368800 8.34909 4.19071 -21.6984 4.19075 -9.31302 -2.74513 -21.6984 -2.74516 6.78306 GPRESSAVG: 1368800 9.23436 4.7737 -20.8212 4.41202 -9.12391 -2.27785 -24.5607 -2.13735 6.11382 TIMING: 1368800 CPU: 4313.24, 0.00311097/step Wall: 4313.24, 0.00311096/step, 3.13793 hours remaining, 237.835938 MB of memory in use. ENERGY: 1368800 4085.7459 20430.0148 14448.9623 234.2639 -203536.5850 2664.0882 0.0000 0.0000 51873.9369 -109799.5731 298.1202 -161673.5100 -109437.5149 298.8547 58.9345 91.5677 760236.8242 1.9397 2.0748 PRESSURE: 1369000 -193.827 -152.191 -170.233 -152.191 -283.162 -171.77 -170.233 -171.77 203.645 GPRESSURE: 1369000 -104.963 -273.179 -77.6583 -91.5627 -256.122 -104.971 -159.655 -207.442 166.525 PRESSAVG: 1369000 17.4931 13.8187 4.08742 13.8188 16.2755 -4.06011 4.08744 -4.06012 -8.50822 GPRESSAVG: 1369000 16.3991 14.4944 5.08987 14.046 16.151 -3.73236 6.20627 -5.09373 -7.35732 TIMING: 1369000 CPU: 4313.87, 0.00311783/step Wall: 4313.87, 0.00311783/step, 3.14468 hours remaining, 237.835938 MB of memory in use. ENERGY: 1369000 4024.7077 20582.8893 14396.7092 232.0982 -203448.8980 2490.2133 0.0000 0.0000 51781.7404 -109940.5399 297.5904 -161722.2803 -109591.7606 298.3923 -91.1147 -64.8532 761036.2538 8.4201 8.3976 PRESSURE: 1369200 179.441 46.2897 -96.3192 46.2897 -296.517 -102.156 -96.3196 -102.156 -127.248 GPRESSURE: 1369200 183.115 128.151 -109.984 -47.6894 -115.547 -127.973 -96.318 -29.6391 -211.395 PRESSAVG: 1369200 -15.9614 -21.5958 2.50194 -21.5958 6.81492 12.2195 2.50191 12.2195 -2.1489 GPRESSAVG: 1369200 -16.9716 -23.2194 1.28834 -22.9199 8.24384 12.4684 3.04668 10.8319 -2.59725 TIMING: 1369200 CPU: 4314.49, 0.00312422/step Wall: 4314.49, 0.00312422/step, 3.15095 hours remaining, 237.835938 MB of memory in use. ENERGY: 1369200 4017.9606 20449.4727 14459.7440 267.1019 -203684.4523 2838.6251 0.0000 0.0000 51743.5132 -109908.0349 297.3707 -161651.5481 -109545.1260 298.2652 -81.4412 -47.9424 760623.4189 -3.7651 -3.7750 PRESSURE: 1369400 13.0828 -372.029 -94.4487 -372.028 387.924 93.0726 -94.449 93.0735 314.521 GPRESSURE: 1369400 106.002 -253.492 -153.46 -284.774 339.619 102.764 -14.591 -13.315 335.063 PRESSAVG: 1369400 -15.1029 -15.9553 -8.9939 -15.9553 69.4546 7.23459 -8.99395 7.23463 -0.0320749 GPRESSAVG: 1369400 -13.2449 -16.8319 -8.96432 -12.6815 67.4896 5.39838 -9.58529 11.9493 -0.256745 TIMING: 1369400 CPU: 4315.12, 0.00312664/step Wall: 4315.12, 0.00312664/step, 3.15322 hours remaining, 237.835938 MB of memory in use. ENERGY: 1369400 4009.6595 20441.8739 14503.7209 276.8985 -203576.8629 2675.3034 0.0000 0.0000 51911.9778 -109757.4289 298.3388 -161669.4067 -109399.3624 298.8719 238.5092 260.2280 760149.4358 18.1066 17.9960 PRESSURE: 1369600 -11.6397 -187.823 -34.3847 -187.823 -22.5807 63.9138 -34.3851 63.9141 515.722 GPRESSURE: 1369600 142.508 -206.197 5.25503 -220.966 -61.9111 171.299 -38.7006 -88.978 473.804 PRESSAVG: 1369600 -65.2797 -44.1123 -24.2181 -44.1122 102.098 61.7508 -24.2181 61.7508 -4.10972 GPRESSAVG: 1369600 -65.8717 -42.0126 -24.1734 -45.7669 102.681 64.3191 -24.0393 56.9237 -3.74486 TIMING: 1369600 CPU: 4315.74, 0.00313165/step Wall: 4315.74, 0.00313165/step, 3.1581 hours remaining, 237.835938 MB of memory in use. ENERGY: 1369600 3910.4541 20286.9780 14530.3729 226.4343 -203535.0827 2683.7371 0.0000 0.0000 52140.3244 -109756.7819 299.6512 -161897.1063 -109396.3967 298.3870 160.5005 184.8002 761194.6942 10.9029 11.0215 PRESSURE: 1369800 529.986 -174.863 -40.4014 -174.863 -54.924 -355.26 -40.4015 -355.26 -294.153 GPRESSURE: 1369800 457.536 -187.495 -128.09 -187.531 -55.4145 -380.765 67.3236 -250.786 -142.829 PRESSAVG: 1369800 -24.1283 -14.3683 -6.65906 -14.3683 19.6865 -27.6212 -6.65905 -27.6211 9.09972 GPRESSAVG: 1369800 -24.4665 -14.2789 -6.03004 -13.4527 19.6171 -27.9725 -6.31245 -23.8453 8.82983 TIMING: 1369800 CPU: 4316.37, 0.00314374/step Wall: 4316.37, 0.00314374/step, 3.17012 hours remaining, 237.835938 MB of memory in use. ENERGY: 1369800 3955.1060 20464.7352 14458.2259 241.2483 -203609.7747 2816.2190 0.0000 0.0000 52003.8910 -109670.3491 298.8671 -161674.2402 -109298.2999 298.6325 60.3030 86.4309 760839.5533 1.5526 1.3268 PRESSURE: 1370000 -17.2007 16.4695 -92.6857 16.4701 110.399 -35.4463 -92.6855 -35.4466 220.007 GPRESSURE: 1370000 34.0297 -37.3674 -144.996 -45.0211 174.579 -69.324 -127.112 99.8998 187.749 PRESSAVG: 1370000 -99.1299 -5.49433 5.59759 -5.49433 48.502 29.734 5.59765 29.734 11.6744 GPRESSAVG: 1370000 -98.9078 -5.91397 4.18593 -7.16614 48.4427 29.763 5.89625 27.1079 11.6951 TIMING: 1370000 CPU: 4317, 0.00313684/step Wall: 4317, 0.00313684/step, 3.16298 hours remaining, 237.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1370000 4027.9277 20401.4366 14430.1381 243.6416 -203581.6747 2680.6933 0.0000 0.0000 51910.3080 -109887.5294 298.3293 -161797.8373 -109525.3771 298.6591 104.4020 132.1191 761774.9825 -12.9845 -12.9233 PRESSURE: 1370200 247.362 -11.9406 -61.2012 -11.9408 308.504 116.92 -61.2006 116.919 309.863 GPRESSURE: 1370200 243.385 137.207 -18.1569 62.0106 384.191 144.029 -81.6365 69.4692 318.941 PRESSAVG: 1370200 -50.0797 -13.2033 -47.6279 -13.2032 14.652 7.44198 -47.6279 7.44197 2.79036 GPRESSAVG: 1370200 -50.6259 -12.3667 -46.8511 -12.3648 15.5742 5.56808 -47.8705 9.80946 2.24932 TIMING: 1370200 CPU: 4317.63, 0.00314296/step Wall: 4317.63, 0.00314296/step, 3.16898 hours remaining, 237.835938 MB of memory in use. ENERGY: 1370200 4028.0780 20491.6560 14530.5511 239.7352 -203494.9598 2523.0836 0.0000 0.0000 51780.2907 -109901.5651 297.5820 -161681.8559 -109542.5099 298.3949 288.5762 315.5056 759324.6269 -10.8791 -10.9341 PRESSURE: 1370400 -57.0408 83.6595 -175.949 83.6587 136.273 110.766 -175.949 110.766 -112.291 GPRESSURE: 1370400 63.6894 148.472 -258.161 84.2422 34.5905 101.454 -187.758 52.1773 -81.6352 PRESSAVG: 1370400 -44.8424 -46.2344 -7.52094 -46.2343 24.5465 -6.54722 -7.52091 -6.54722 -4.62581 GPRESSAVG: 1370400 -44.0946 -47.6888 -7.92966 -46.0257 22.9333 -6.9635 -7.79714 -6.20792 -3.86495 TIMING: 1370400 CPU: 4318.25, 0.00312406/step Wall: 4318.25, 0.00312406/step, 3.14975 hours remaining, 237.835938 MB of memory in use. ENERGY: 1370400 4091.4568 20397.6183 14509.6800 248.5477 -203486.4526 2566.3515 0.0000 0.0000 51787.8466 -109884.9518 297.6255 -161672.7984 -109528.0197 298.3310 -11.0194 5.5483 759444.8081 -8.3073 -8.3421 PRESSURE: 1370600 95.1739 40.0971 126.446 40.0965 -194.042 37.7464 126.446 37.7462 -503.63 GPRESSURE: 1370600 119.172 98.5439 45.45 3.26204 -192.484 56.5785 147.993 41.004 -447.708 PRESSAVG: 1370600 6.77018 -52.1201 -12.1846 -52.1201 23.4901 17.8588 -12.1845 17.8588 -24.6481 GPRESSAVG: 1370600 6.31061 -50.6958 -14.0782 -52.5915 24.7093 18.046 -11.4465 17.107 -25.6095 TIMING: 1370600 CPU: 4318.88, 0.00314292/step Wall: 4318.88, 0.00314292/step, 3.16858 hours remaining, 237.835938 MB of memory in use. ENERGY: 1370600 4068.5257 20379.2880 14498.0337 240.4593 -203484.6571 2553.9897 0.0000 0.0000 51930.0262 -109814.3344 298.4426 -161744.3606 -109460.1158 298.3727 -200.8326 -173.6733 759490.1270 1.8707 1.8035 PRESSURE: 1370800 -56.8016 152.121 37.013 152.12 -140.352 140.151 37.013 140.151 -245.139 GPRESSURE: 1370800 -26.5046 68.8834 90.1355 59.7732 -85.5361 83.2637 -89.81 17.3924 -224.755 PRESSAVG: 1370800 0.564454 -1.6391 29.8838 -1.63913 17.4216 -28.4248 29.8837 -28.4248 1.77623 GPRESSAVG: 1370800 0.692825 -3.6471 31.9298 0.361438 16.47 -27.536 28.9991 -28.8993 2.97945 TIMING: 1370800 CPU: 4319.51, 0.00312846/step Wall: 4319.51, 0.00312846/step, 3.15384 hours remaining, 237.835938 MB of memory in use. ENERGY: 1370800 4096.1112 20276.4098 14498.4742 233.4251 -203219.7185 2452.5018 0.0000 0.0000 52053.1501 -109609.6463 299.1502 -161662.7964 -109239.8896 298.5130 -147.4309 -112.2651 761132.7909 6.5874 6.7141 PRESSURE: 1371000 10.3838 -18.9769 -227.558 -18.9773 -112.607 69.0879 -227.558 69.0882 143.175 GPRESSURE: 1371000 26.9185 -53.3644 -172.02 -27.4526 26.0959 79.8062 -186.799 -48.8643 40.406 PRESSAVG: 1371000 -26.8836 23.0666 -44.902 23.0667 26.9831 -38.6316 -44.902 -38.6317 -1.80997 GPRESSAVG: 1371000 -26.0375 22.7523 -45.2663 23.6814 26.1227 -37.118 -44.7543 -38.1922 -2.30664 TIMING: 1371000 CPU: 4320.13, 0.00312109/step Wall: 4320.13, 0.00312109/step, 3.14623 hours remaining, 237.835938 MB of memory in use. ENERGY: 1371000 3948.2763 20351.9402 14438.9318 245.2058 -203153.0050 2674.6099 0.0000 0.0000 52111.1066 -109382.9346 299.4832 -161494.0411 -109023.2643 298.9974 13.6507 31.1401 760354.9580 -0.5702 -0.7405 PRESSURE: 1371200 -59.7161 -215.842 57.7531 -215.842 12.9429 -13.194 57.7535 -13.1939 67.9115 GPRESSURE: 1371200 -48.0771 -118.153 8.78622 -256.208 65.896 37.374 155.612 61.1166 83.095 PRESSAVG: 1371200 26.4325 -32.511 -4.9511 -32.511 -8.49205 -69.0625 -4.95108 -69.0625 8.17663 GPRESSAVG: 1371200 23.4131 -30.4557 -5.39334 -34.3707 -6.06141 -69.4425 -3.94375 -68.1329 7.8714 TIMING: 1371200 CPU: 4320.75, 0.00312468/step Wall: 4320.75, 0.00312468/step, 3.14968 hours remaining, 237.835938 MB of memory in use. ENERGY: 1371200 3966.1307 20266.8489 14439.9309 235.6392 -203089.3011 2647.8888 0.0000 0.0000 52070.5287 -109462.3338 299.2500 -161532.8625 -109109.8833 299.0423 7.0461 33.6380 760929.8748 8.7057 8.4077 PRESSURE: 1371400 93.8339 54.7327 -70.2027 54.7325 -159.059 -102.622 -70.2022 -102.622 -62.0796 GPRESSURE: 1371400 201.838 -19.4574 -81.3296 -49.7666 -185.817 -103.623 197.328 -42.9705 -69.83 PRESSAVG: 1371400 28.7366 -37.037 31.1541 -37.0369 -38.1015 -1.87962 31.1541 -1.87966 14.4702 GPRESSAVG: 1371400 30.4497 -39.7145 31.5606 -35.2945 -39.566 -2.90204 31.1975 -2.80887 14.3177 TIMING: 1371400 CPU: 4321.38, 0.00312045/step Wall: 4321.38, 0.00312045/step, 3.14524 hours remaining, 237.835938 MB of memory in use. ENERGY: 1371400 3941.6271 20429.8633 14491.9543 235.4923 -203097.7538 2519.8780 0.0000 0.0000 52002.5209 -109476.4177 298.8592 -161478.9386 -109115.8783 298.7732 -42.4347 -17.9363 760354.8466 1.7018 1.7338 PRESSURE: 1371600 -94.6129 181.694 -6.43891 181.695 -9.05685 175.753 -6.43966 175.754 -51.2257 GPRESSURE: 1371600 -42.1557 233.838 11.928 128.707 20.5783 140.663 -57.5887 137.267 -44.2718 PRESSAVG: 1371600 38.9292 -67.2157 -4.69023 -67.2157 -73.9515 8.61797 -4.69019 8.61799 -1.40738 GPRESSAVG: 1371600 38.6259 -65.1956 -4.87697 -69.8604 -74.2307 9.34801 -5.50597 8.33521 -0.897449 TIMING: 1371600 CPU: 4322.01, 0.0031337/step Wall: 4322.01, 0.0031337/step, 3.15843 hours remaining, 237.835938 MB of memory in use. ENERGY: 1371600 3922.2919 20391.5932 14467.2558 257.5445 -203241.9640 2793.4021 0.0000 0.0000 51992.7005 -109417.1761 298.8028 -161409.8766 -109054.0891 298.6313 -51.6318 -21.9497 761975.4586 -12.1432 -12.1674 PRESSURE: 1371800 279.853 1.45003 29.4927 1.44967 -2.93385 -127.951 29.4926 -127.951 -276.375 GPRESSURE: 1371800 299.867 -20.6224 31.3242 11.2766 42.5486 -143.974 -50.997 -81.4672 -244.984 PRESSAVG: 1371800 1.91173 33.4718 -60.0645 33.4719 -2.48438 14.9174 -60.0645 14.9173 1.28058 GPRESSAVG: 1371800 0.641474 33.1262 -58.8197 33.4067 -1.70292 13.2415 -60.5073 14.537 2.08302 TIMING: 1371800 CPU: 4322.63, 0.00313626/step Wall: 4322.63, 0.00313626/step, 3.16082 hours remaining, 237.835938 MB of memory in use. ENERGY: 1371800 3911.7420 20506.0155 14489.8649 269.5591 -203045.7481 2381.9352 0.0000 0.0000 52207.7955 -109278.8359 300.0389 -161486.6314 -108920.4346 299.2991 0.1815 32.4772 761752.7193 0.2360 0.3405 PRESSURE: 1372000 248.426 -153.529 58.3841 -153.529 49.2483 -90.9398 58.3842 -90.9397 280.032 GPRESSURE: 1372000 273.217 -111.801 100.838 -99.7159 158.461 -48.5186 -94.0416 52.2885 225.308 PRESSAVG: 1372000 -25.5432 15.6091 -9.04667 15.6091 -13.5523 -29.8596 -9.04666 -29.8597 -9.53778 GPRESSAVG: 1372000 -24.1287 18.1804 -8.55963 16.5509 -13.9966 -27.0011 -9.42475 -27.9062 -10.6854 TIMING: 1372000 CPU: 4323.26, 0.00314266/step Wall: 4323.26, 0.00314266/step, 3.1671 hours remaining, 237.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1372000 3960.0306 20414.6971 14522.9746 232.6711 -203477.1493 2751.2477 0.0000 0.0000 52152.0005 -109443.5277 299.7183 -161595.5282 -109091.8595 299.3057 192.5688 218.9952 761541.7827 -16.2111 -16.2702 PRESSURE: 1372200 -223.139 -232.978 -72.132 -232.979 -301.666 141.843 -72.1314 141.843 -477.156 GPRESSURE: 1372200 -240.858 -216.165 -128.032 -155.191 -235.514 155.182 -93.6673 42.0115 -449.739 PRESSAVG: 1372200 -34.5374 2.59322 29.8332 2.59316 29.2346 31.7522 29.8332 31.7521 4.92322 GPRESSAVG: 1372200 -35.5643 1.99763 27.4822 0.301708 29.2403 31.1014 33.4443 31.0187 6.41024 TIMING: 1372200 CPU: 4323.89, 0.00313464/step Wall: 4323.89, 0.00313464/step, 3.15884 hours remaining, 237.835938 MB of memory in use. ENERGY: 1372200 4039.9057 20462.6708 14510.1795 228.4605 -202805.5816 2271.4771 0.0000 0.0000 51968.8138 -109324.0742 298.6655 -161292.8880 -108965.9206 299.4877 -333.9868 -308.7034 761628.0256 -0.1265 0.0288 LDB: ============= START OF LOAD BALANCING ============== 4336.28 LDB: ============== END OF LOAD BALANCING =============== 4336.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4336.29 LDB: ============= START OF LOAD BALANCING ============== 4336.6 LDB: Largest compute 7062 load 0.031736 is 16.2% of average load 0.195957 LDB: Average compute 0.004349 is 2.2% of average load 0.195957 LDB: TIME 4336.6 LOAD: AVG 0.195957 MAX 0.219828 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 4336.6 LOAD: AVG 0.195957 MAX 0.219828 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.117 MB LDB: TIME 4336.6 LOAD: AVG 0.195957 MAX 0.215219 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.117 MB LDB: ============== END OF LOAD BALANCING =============== 4336.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4336.61 PRESSURE: 1372400 200.901 182.945 -127.559 182.945 258.467 176.191 -127.559 176.191 -120.361 GPRESSURE: 1372400 318.141 202.326 -87.0152 108.752 299.158 124.99 -103.17 98.8863 -209.044 PRESSAVG: 1372400 -55.3527 -3.91683 22.6859 -3.91681 25.072 20.9341 22.6859 20.934 3.97536 GPRESSAVG: 1372400 -52.8838 -4.34241 23.2116 -1.99722 24.5567 21.7922 18.4229 18.2135 1.68604 TIMING: 1372400 CPU: 4324.53, 0.0031975/step Wall: 4324.53, 0.0031975/step, 3.22201 hours remaining, 237.894531 MB of memory in use. ENERGY: 1372400 3992.2105 20497.1121 14470.2988 235.3383 -203286.3244 2719.4303 0.0000 0.0000 52137.1111 -109234.8235 299.6327 -161371.9345 -108874.2970 299.3492 113.0024 136.0851 760954.5645 -8.7684 -8.8804 PRESSURE: 1372600 140.579 -72.0854 245.891 -72.0858 105.693 -227.401 245.891 -227.401 -4.28324 GPRESSURE: 1372600 150.217 -84.8434 144.718 -20.9622 118.328 -222.485 171.942 -100.844 57.8697 PRESSAVG: 1372600 -17.19 26.2782 23.4434 26.2782 50.672 -31.6285 23.4434 -31.6285 5.78689 GPRESSAVG: 1372600 -18.1315 24.9879 23.2404 28.4746 51.3873 -33.0338 24.2737 -28.2435 6.01955 TIMING: 1372600 CPU: 4325.16, 0.00314369/step Wall: 4325.16, 0.00314369/step, 3.16762 hours remaining, 237.894531 MB of memory in use. ENERGY: 1372600 3948.8276 20501.7547 14502.3987 221.7148 -202951.8651 2443.3632 0.0000 0.0000 52074.9838 -109258.8224 299.2756 -161333.8062 -108889.1907 299.3696 80.6628 108.8051 761847.4438 13.0896 13.0918 PRESSURE: 1372800 -149.42 26.1352 22.5297 26.1355 -168.468 -194.446 22.5298 -194.446 65.6203 GPRESSURE: 1372800 -42.9665 64.3007 112.139 16.4264 -119.738 -97.8271 34.5309 -204.121 16.4249 PRESSAVG: 1372800 15.5816 -19.3627 19.9888 -19.3627 -12.3097 -47.9439 19.9888 -47.9439 8.91302 GPRESSAVG: 1372800 15.5951 -18.9979 20.7807 -22.1923 -13.3796 -47.8172 20.175 -46.7636 9.78482 TIMING: 1372800 CPU: 4325.79, 0.00314618/step Wall: 4325.79, 0.00314618/step, 3.16995 hours remaining, 237.894531 MB of memory in use. ENERGY: 1372800 4016.6084 20480.0241 14426.6872 257.9769 -202840.6391 2315.5607 0.0000 0.0000 52125.5023 -109218.2795 299.5660 -161343.7818 -108857.0183 299.4142 -84.0891 -48.7598 761161.8521 4.0616 4.0001 PRESSURE: 1373000 160.486 17.7957 -142.344 17.7956 199.455 -92.1167 -142.344 -92.1168 -42.9569 GPRESSURE: 1373000 171.454 36.5637 -69.1633 48.9614 170.231 -45.0855 -120.615 -123.512 46.9037 PRESSAVG: 1373000 24.5787 2.15058 -11.0222 2.1505 -28.9528 8.35559 -11.0223 8.35558 -5.85917 GPRESSAVG: 1373000 25.4547 1.61164 -12.2546 4.28289 -29.4571 8.47155 -9.71462 5.33238 -6.0145 TIMING: 1373000 CPU: 4326.42, 0.00315485/step Wall: 4326.42, 0.00315485/step, 3.17851 hours remaining, 237.894531 MB of memory in use. ENERGY: 1373000 3985.0555 20641.9289 14486.5343 259.5926 -203794.5203 2857.5801 0.0000 0.0000 52238.2191 -109325.6096 300.2138 -161563.8288 -108958.0457 299.6043 105.6613 129.5295 761054.7291 -3.4111 -3.3390 PRESSURE: 1373200 -173.65 125.373 -106.113 125.372 -351.534 -12.0152 -106.112 -12.0146 -116.328 GPRESSURE: 1373200 -106.888 77.458 -32.1369 51.3747 -366.414 16.8229 -121.637 91.6922 -68.4882 PRESSAVG: 1373200 -22.2159 19.6135 12.3787 19.6134 -25.6167 35.7118 12.3787 35.7117 13.3437 GPRESSAVG: 1373200 -24.2662 22.1504 13.7584 17.3721 -23.3246 35.4066 12.5926 37.3898 13.2504 TIMING: 1373200 CPU: 4327.04, 0.00313373/step Wall: 4327.04, 0.00313373/step, 3.15706 hours remaining, 237.894531 MB of memory in use. ENERGY: 1373200 4011.1011 20555.3950 14456.0552 252.1350 -203361.9918 2510.4902 0.0000 0.0000 52161.1164 -109415.6990 299.7707 -161576.8154 -109055.6962 299.5670 -213.8373 -180.5967 762241.1532 -11.4963 -11.4468 PRESSURE: 1373400 2.99042 137.473 -114.5 137.472 64.2629 96.9516 -114.5 96.9505 127.928 GPRESSURE: 1373400 -18.4884 125.012 -101.905 130.656 102.262 -10.271 -210.574 114.411 204.84 PRESSAVG: 1373400 -27.0392 -25.0467 24.5644 -25.0468 14.2344 -23.0717 24.5643 -23.0717 13.2648 GPRESSAVG: 1373400 -25.841 -25.9189 23.5998 -22.8436 13.4401 -23.2903 24.5054 -22.9099 12.4279 TIMING: 1373400 CPU: 4327.67, 0.00313773/step Wall: 4327.67, 0.00313773/step, 3.16092 hours remaining, 237.894531 MB of memory in use. ENERGY: 1373400 3986.9053 20638.3315 14436.6882 258.6802 -203574.2371 2812.4867 0.0000 0.0000 51941.8630 -109499.2821 298.5106 -161441.1451 -109144.4021 299.4841 65.0606 96.2045 761447.6988 0.1533 0.0090 PRESSURE: 1373600 -420.666 -262.782 59.1713 -262.783 -79.3278 -201.806 59.1716 -201.805 -324.945 GPRESSURE: 1373600 -373.483 -173.683 133.315 -290.721 -14.501 -80.1292 54.1712 -254.536 -365.264 PRESSAVG: 1373600 -1.68992 -28.7641 -32.5412 -28.7642 24.9136 -19.9232 -32.5413 -19.9232 -12.0731 GPRESSAVG: 1373600 -1.86776 -27.462 -33.3433 -29.0345 24.6697 -19.3085 -32.427 -20.3076 -12.279 TIMING: 1373600 CPU: 4328.3, 0.00314371/step Wall: 4328.3, 0.00314371/step, 3.16676 hours remaining, 237.894531 MB of memory in use. ENERGY: 1373600 3960.1467 20433.3652 14486.8621 253.0574 -203160.3234 2414.1725 0.0000 0.0000 52125.2761 -109487.4435 299.5647 -161612.7195 -109121.1854 299.0349 -274.9796 -251.0825 761250.0215 3.7169 3.5076 PRESSURE: 1373800 71.1793 -111.236 -22.9468 -111.236 -204.535 -273.817 -22.9466 -273.817 -177.626 GPRESSURE: 1373800 -14.1439 -86.6567 40.9203 -100.837 -106.241 -267.409 -13.3627 -255.344 -111.37 PRESSAVG: 1373800 -82.0222 -23.4928 -29.9705 -23.4928 76.7821 -51.0233 -29.9706 -51.0232 -5.64814 GPRESSAVG: 1373800 -82.9751 -26.4527 -28.8546 -22.1783 77.4173 -51.9653 -31.5604 -50.3402 -4.89175 TIMING: 1373800 CPU: 4328.93, 0.00315065/step Wall: 4328.93, 0.00315065/step, 3.17358 hours remaining, 237.894531 MB of memory in use. ENERGY: 1373800 4065.4637 20539.4395 14454.6108 231.5662 -203059.8560 2302.2591 0.0000 0.0000 52163.9460 -109302.5708 299.7869 -161466.5167 -108942.6634 299.2687 -103.6607 -77.2516 761611.3806 -3.6294 -3.4832 PRESSURE: 1374000 359.502 94.4083 47.6898 94.4074 222.445 50.24 47.6906 50.2403 495.152 GPRESSURE: 1374000 306.637 87.6604 -5.88643 70.5164 340.936 90.8009 37.1255 49.7239 502.107 PRESSAVG: 1374000 8.53183 10.9979 7.35781 10.998 22.5091 4.65963 7.35784 4.65961 -21.0393 GPRESSAVG: 1374000 7.8197 11.7664 8.08198 10.682 21.5806 5.49301 10.7273 3.66134 -19.2728 TIMING: 1374000 CPU: 4329.56, 0.00315644/step Wall: 4329.56, 0.00315644/step, 3.17924 hours remaining, 237.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1374000 4012.5909 20606.6527 14413.1737 272.6786 -203240.1553 2574.5663 0.0000 0.0000 52239.4546 -109121.0385 300.2209 -161360.4931 -108760.5745 300.1317 359.0332 383.2269 759022.1172 3.3339 3.3758 PRESSURE: 1374200 142.295 -5.22883 15.8744 -5.22947 32.076 54.7817 15.8745 54.7809 -322.946 GPRESSURE: 1374200 190.046 -9.2492 155.986 74.7562 57.941 36.9855 94.6585 119.715 -306.373 PRESSAVG: 1374200 9.37016 34.3783 -5.09138 34.3782 -15.1937 29.1833 -5.09139 29.1833 -2.74263 GPRESSAVG: 1374200 9.30416 34.1194 -4.85529 35.4269 -13.5827 28.4062 -7.51093 31.493 -4.71368 TIMING: 1374200 CPU: 4330.19, 0.00313903/step Wall: 4330.19, 0.00313903/step, 3.16152 hours remaining, 237.894531 MB of memory in use. ENERGY: 1374200 3984.8584 20513.4193 14410.0917 258.6827 -202929.9324 2249.1724 0.0000 0.0000 52124.4917 -109389.2163 299.5602 -161513.7080 -109026.5048 299.2739 -49.5251 -19.4621 761911.4515 -2.8554 -2.9974 PRESSURE: 1374400 -242.155 4.94528 214.118 4.94525 -42.6298 99.5328 214.118 99.5318 -98.5079 GPRESSURE: 1374400 -219.097 12.1377 243.239 36.8602 23.7958 10.9194 137.668 186.23 -89.7713 PRESSAVG: 1374400 32.4019 -19.2308 20.8306 -19.2308 17.2696 -1.97873 20.8306 -1.97881 -22.1599 GPRESSAVG: 1374400 33.3942 -18.7033 20.5337 -19.7945 15.8736 -1.03436 20.5668 -4.8657 -21.3625 TIMING: 1374400 CPU: 4330.82, 0.00314138/step Wall: 4330.82, 0.00314137/step, 3.16371 hours remaining, 237.894531 MB of memory in use. ENERGY: 1374400 3982.5634 20226.4853 14375.8857 250.4405 -202977.8352 2375.3201 0.0000 0.0000 52300.1976 -109466.9425 300.5700 -161767.1401 -109100.6875 299.4379 -127.7642 -95.0240 760458.3465 9.1705 9.3017 PRESSURE: 1374600 164.653 -114.572 52.2743 -114.573 -31.4561 -48.6313 52.2753 -48.6307 -33.2538 GPRESSURE: 1374600 179.478 -47.0008 74.1463 52.2262 33.1252 -38.2463 -34.8254 98.5098 -10.2185 PRESSAVG: 1374600 13.5124 34.9637 48.4092 34.9637 -8.82123 0.212038 48.4093 0.212038 16.6429 GPRESSAVG: 1374600 12.9963 36.4714 48.2127 33.4071 -8.02273 -0.0842167 49.3126 1.66082 16.7585 TIMING: 1374600 CPU: 4331.44, 0.00313776/step Wall: 4331.44, 0.00313776/step, 3.1599 hours remaining, 237.894531 MB of memory in use. ENERGY: 1374600 3903.5531 20519.2830 14472.9701 243.5442 -202966.7536 2341.1033 0.0000 0.0000 52070.4577 -109415.8421 299.2496 -161486.2998 -109050.9278 299.7689 33.3143 67.4616 761461.7969 7.1114 7.2440 PRESSURE: 1374800 -504.024 151.039 -15.7669 151.038 -44.615 -12.7633 -15.7666 -12.7636 -81.7926 GPRESSURE: 1374800 -342.358 203.761 -28.706 2.45564 -188.407 13.0277 -78.1156 -91.1672 -25.3479 PRESSAVG: 1374800 -21.0763 -26.8468 1.21493 -26.8468 69.1654 15.3468 1.21494 15.3468 5.0697 GPRESSAVG: 1374800 -19.8122 -27.6893 0.623536 -25.8874 68.7042 17.1936 0.344254 14.458 4.71308 TIMING: 1374800 CPU: 4332.07, 0.00313385/step Wall: 4332.07, 0.00313385/step, 3.15578 hours remaining, 237.894531 MB of memory in use. ENERGY: 1374800 3953.1442 20556.1207 14439.2614 274.6231 -203037.4339 2217.0785 0.0000 0.0000 52183.9164 -109413.2896 299.9017 -161597.2060 -109053.2197 299.2729 -210.1437 -185.3708 761357.4074 17.7196 17.8684 PRESSURE: 1375000 -13.7761 272.988 -151.521 272.987 -230.476 23.3481 -151.521 23.3478 228.808 GPRESSURE: 1375000 59.6375 268.475 -121.383 271.745 -178.018 26.4455 -113.7 -38.9783 193.852 PRESSAVG: 1375000 -26.7033 -2.86074 -16.6289 -2.86071 6.87376 -22.6361 -16.629 -22.6362 5.63835 GPRESSAVG: 1375000 -27.1881 -1.99679 -15.845 -2.17664 7.55846 -25.1173 -16.7126 -22.4686 5.7122 TIMING: 1375000 CPU: 4332.7, 0.00314148/step Wall: 4332.7, 0.00314148/step, 3.1633 hours remaining, 237.894531 MB of memory in use. ENERGY: 1375000 4022.5196 20230.9460 14433.4392 256.1966 -203132.6244 2463.6807 0.0000 0.0000 52318.0716 -109407.7707 300.6727 -161725.8422 -109038.9360 299.4832 -5.1481 25.1569 763305.2469 -4.7304 -4.6391 PRESSURE: 1375200 30.7905 -26.7885 -131.224 -26.7882 -36.9147 47.1481 -131.223 47.1472 -280.7 GPRESSURE: 1375200 17.4673 -53.7126 -144.807 61.6845 10.7427 2.57602 86.2708 102.639 -228.98 PRESSAVG: 1375200 -5.44183 -38.2703 -46.3444 -38.2703 14.2132 17.3811 -46.3444 17.3811 21.6794 GPRESSAVG: 1375200 -5.07027 -40.9031 -46.4376 -37.8011 14.1623 18.0611 -44.0756 16.8672 21.6548 TIMING: 1375200 CPU: 4333.33, 0.00314568/step Wall: 4333.33, 0.00314568/step, 3.16735 hours remaining, 237.894531 MB of memory in use. ENERGY: 1375200 4004.5245 20334.1637 14395.9921 248.8018 -203144.4088 2611.4489 0.0000 0.0000 52049.7955 -109499.6823 299.1309 -161549.4778 -109136.6545 298.8842 -95.6080 -66.9232 762585.4900 10.1503 10.2489 PRESSURE: 1375400 -141.254 -150.912 -200.862 -150.912 -351.578 -67.1831 -200.862 -67.1825 -237.293 GPRESSURE: 1375400 -64.0515 -185.619 -254.175 -130.24 -299.864 -59.191 -159.23 -140.446 -287.774 PRESSAVG: 1375400 -10.7224 -31.1736 23.9315 -31.1736 -19.495 -33.4429 23.9315 -33.4428 -3.99973 GPRESSAVG: 1375400 -10.5576 -29.7862 23.252 -31.4813 -19.3975 -32.3099 21.8444 -34.6432 -3.68289 TIMING: 1375400 CPU: 4333.96, 0.00315255/step Wall: 4333.96, 0.00315255/step, 3.1741 hours remaining, 237.894531 MB of memory in use. ENERGY: 1375400 3981.8252 20274.8997 14425.7847 254.6118 -203039.6066 2463.8833 0.0000 0.0000 52022.1703 -109616.4315 298.9721 -161638.6018 -109254.1676 298.6059 -243.3748 -217.2299 763585.1050 -11.4057 -11.2126 PRESSURE: 1375600 114.493 16.3921 -5.33587 16.392 212.334 -90.4248 -5.33628 -90.4249 -136.72 GPRESSURE: 1375600 209.701 30.0632 -46.9157 94.7468 267.274 -6.55352 50.562 24.4931 -201.37 PRESSAVG: 1375600 11.3324 -65.4661 39.4893 -65.4662 -43.012 42.4176 39.4893 42.4175 -2.11725 GPRESSAVG: 1375600 12.4038 -64.8661 39.9594 -64.7589 -43.5743 41.747 38.766 43.0397 -2.73513 TIMING: 1375600 CPU: 4334.59, 0.003136/step Wall: 4334.59, 0.003136/step, 3.15726 hours remaining, 237.894531 MB of memory in use. ENERGY: 1375600 3976.6450 20420.0074 14439.1860 246.5668 -203498.0720 2907.8349 0.0000 0.0000 51881.6267 -109626.2052 298.1644 -161507.8318 -109266.1799 298.5721 63.3691 91.8683 760797.3984 -11.2656 -11.3019 PRESSURE: 1375800 134.537 -51.6855 110.32 -51.6854 2.76999 20.4728 110.32 20.472 69.2088 GPRESSURE: 1375800 164.773 -122.83 72.0611 -4.74738 97.2889 1.89798 213.128 27.2019 39.0257 PRESSAVG: 1375800 18.4879 -43.1014 9.63289 -43.1013 13.4129 -23.0346 9.6328 -23.0347 38.0632 GPRESSAVG: 1375800 16.411 -42.7258 10.6818 -44.3842 15.0777 -24.0086 11.3732 -18.3098 38.4226 TIMING: 1375800 CPU: 4335.21, 0.00312916/step Wall: 4335.21, 0.00312916/step, 3.15019 hours remaining, 237.894531 MB of memory in use. ENERGY: 1375800 3912.5666 20522.3194 14519.7915 233.5378 -203186.7719 2485.7006 0.0000 0.0000 51901.5955 -109611.2605 298.2792 -161512.8560 -109258.2288 299.1354 68.8387 100.3625 761822.8179 23.3213 23.3038 PRESSURE: 1376000 -87.3303 106.354 2.02421 106.354 -116.091 -19.8731 2.02411 -19.8724 -184.596 GPRESSURE: 1376000 -60.2797 190.701 2.37344 138.14 -34.5277 -83.3349 -65.0549 -50.7451 -211.353 PRESSAVG: 1376000 66.5885 -5.06198 -59.6462 -5.06204 -44.2153 -10.9776 -59.6462 -10.9776 -22.3968 GPRESSAVG: 1376000 67.3729 -6.46586 -61.2717 -3.07556 -44.4311 -10.4573 -56.6666 -15.148 -22.5461 TIMING: 1376000 CPU: 4335.84, 0.00312079/step Wall: 4335.84, 0.00312079/step, 3.1416 hours remaining, 237.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1376000 3983.5967 20431.7462 14384.2980 253.6786 -203221.1290 2478.2110 0.0000 0.0000 51938.4448 -109751.1538 298.4910 -161689.5985 -109384.9913 298.8527 -129.3392 -102.0534 761542.5806 -0.0079 0.1319 PRESSURE: 1376200 130.777 99.4875 -72.9403 99.4872 -394.444 -144.054 -72.9408 -144.053 216.365 GPRESSURE: 1376200 138.647 62.1725 -21.028 52.9261 -283.385 -187.699 -23.9487 -135.575 175.131 PRESSAVG: 1376200 31.5036 3.06552 -25.7558 3.06555 -38.6057 -12.9922 -25.7558 -12.9922 16.5184 GPRESSAVG: 1376200 31.1658 4.43179 -24.2289 -0.480856 -37.823 -13.2255 -30.5696 -13.5027 15.8915 TIMING: 1376200 CPU: 4336.46, 0.00313236/step Wall: 4336.46, 0.00313236/step, 3.15307 hours remaining, 237.894531 MB of memory in use. ENERGY: 1376200 4067.9366 20424.7244 14430.4804 247.6275 -203043.4523 2313.2151 0.0000 0.0000 51755.8796 -109803.5886 297.4418 -161559.4683 -109443.6809 298.3995 -15.7675 10.1310 760427.0645 3.1387 3.0781 LDB: ============= START OF LOAD BALANCING ============== 4348.86 LDB: ============== END OF LOAD BALANCING =============== 4348.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4348.86 LDB: ============= START OF LOAD BALANCING ============== 4349.18 LDB: Largest compute 7056 load 0.030855 is 15.7% of average load 0.195929 LDB: Average compute 0.004378 is 2.2% of average load 0.195929 LDB: TIME 4349.18 LOAD: AVG 0.195929 MAX 0.213681 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 4349.18 LOAD: AVG 0.195929 MAX 0.213681 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 4349.18 LOAD: AVG 0.195929 MAX 0.213681 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 4349.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4349.19 PRESSURE: 1376400 75.9494 153.01 97.1016 153.01 -174.804 7.92643 97.1007 7.92658 -140.512 GPRESSURE: 1376400 131.417 191.226 92.3984 221.078 -168.848 34.0974 67.7277 -30.0616 -106.01 PRESSAVG: 1376400 -39.8503 -12.397 -3.34888 -12.397 22.2479 8.76006 -3.34892 8.7601 4.16519 GPRESSAVG: 1376400 -37.8309 -14.0645 -3.5506 -10.7013 20.8776 9.43703 -1.39397 10.2849 3.69434 TIMING: 1376400 CPU: 4337.1, 0.00320979/step Wall: 4337.1, 0.00320979/step, 3.23083 hours remaining, 239.890625 MB of memory in use. ENERGY: 1376400 4040.1999 20439.4843 14461.2795 238.2548 -203222.1534 2279.1914 0.0000 0.0000 51786.8267 -109976.9168 297.6196 -161763.7435 -109620.1651 298.2971 -79.7891 -47.8138 758512.5980 -4.4790 -4.4197 PRESSURE: 1376600 263.632 -201.063 237.791 -201.064 -144.339 -23.1512 237.792 -23.1514 -137.146 GPRESSURE: 1376600 258.454 -238.008 178.521 -168.196 -70.8653 3.2421 173.615 106.557 -97.1688 PRESSAVG: 1376600 6.14506 -27.5085 26.2303 -27.5085 4.26025 13.7352 26.2303 13.7352 30.224 GPRESSAVG: 1376600 5.13978 -25.7786 25.5746 -28.4206 4.73004 13.2933 26.4188 13.4582 30.5103 TIMING: 1376600 CPU: 4337.73, 0.00313882/step Wall: 4337.73, 0.00313882/step, 3.15922 hours remaining, 240.093750 MB of memory in use. ENERGY: 1376600 3935.1464 20432.3114 14475.0468 247.0956 -203048.9958 2228.6395 0.0000 0.0000 52105.6639 -109625.0922 299.4520 -161730.7561 -109267.4652 298.0944 -5.9509 30.1401 759040.7061 13.5431 13.4600 PRESSURE: 1376800 29.1175 165.061 25.3217 165.06 201.068 130.866 25.3211 130.865 155.371 GPRESSURE: 1376800 49.1352 257.804 -29.4435 66.0976 219.147 -17.3014 -23.6148 174.761 178.023 PRESSAVG: 1376800 3.64885 7.56136 24.6599 7.56136 41.2849 -2.97819 24.6599 -2.97819 20.3029 GPRESSAVG: 1376800 3.60065 5.46475 23.933 8.87673 40.9884 -3.03176 25.8237 -1.47772 20.5685 TIMING: 1376800 CPU: 4338.36, 0.0031451/step Wall: 4338.36, 0.0031451/step, 3.16537 hours remaining, 240.093750 MB of memory in use. ENERGY: 1376800 3920.3103 20509.0977 14449.5584 280.5816 -203191.6033 2489.7610 0.0000 0.0000 51921.8710 -109620.4233 298.3957 -161542.2943 -109270.3019 298.9196 128.5186 148.7684 761545.3467 21.7455 21.7192 PRESSURE: 1377000 -110.353 -31.1054 42.8116 -31.1053 -433.016 67.8757 42.8121 67.8749 -143.821 GPRESSURE: 1377000 -144.788 -30.6678 106.524 -70.3059 -325.101 71.7103 10.424 82.6516 -132.739 PRESSAVG: 1377000 -36.618 7.13373 31.6134 7.13381 41.1008 -31.1035 31.6134 -31.1035 -5.76405 GPRESSAVG: 1377000 -38.0405 6.80675 33.7414 6.03314 41.4673 -30.6978 28.5129 -32.5234 -4.96358 TIMING: 1377000 CPU: 4338.99, 0.00314274/step Wall: 4338.99, 0.00314274/step, 3.16282 hours remaining, 240.093750 MB of memory in use. ENERGY: 1377000 3951.8233 20471.7532 14407.9910 253.7567 -202886.4118 2268.0302 0.0000 0.0000 51741.2986 -109791.7589 297.3580 -161533.0575 -109440.1800 299.3121 -229.0635 -200.8761 759954.9071 -0.4271 -0.5123 PRESSURE: 1377200 92.4882 -120.826 -118.732 -120.826 1.94922 -73.9029 -118.733 -73.904 62.165 GPRESSURE: 1377200 96.7152 -113.075 -87.5038 -236.425 48.9719 -56.1502 -65.4719 -117.841 103.521 PRESSAVG: 1377200 -9.05927 -39.3207 45.7562 -39.3206 -23.3175 -1.26 45.7562 -1.25997 43.7216 GPRESSAVG: 1377200 -8.47576 -39.8654 43.5732 -36.6795 -23.4026 -1.32247 49.038 -3.46639 43.377 TIMING: 1377200 CPU: 4339.62, 0.00314847/step Wall: 4339.62, 0.00314847/step, 3.16841 hours remaining, 240.093750 MB of memory in use. ENERGY: 1377200 3983.5615 20375.7845 14398.6180 219.8796 -203362.9341 2533.5026 0.0000 0.0000 51880.6636 -109970.9242 298.1589 -161851.5878 -109612.9793 298.0591 52.2008 83.0693 761730.9562 3.7816 3.8329 PRESSURE: 1377400 -841.628 9.24836 280.98 9.24938 -236.022 -247.944 280.979 -247.944 -627.427 GPRESSURE: 1377400 -653.314 -26.0116 294.125 31.5605 -264.201 -153.571 224.036 -259.86 -686.051 PRESSAVG: 1377400 4.53739 -7.27899 -22.8066 -7.279 -17.788 -13.3297 -22.8066 -13.3296 7.31534 GPRESSAVG: 1377400 5.86731 -5.50482 -21.8524 -11.3158 -18.5054 -13.6904 -24.4846 -10.3945 7.02088 TIMING: 1377400 CPU: 4340.25, 0.00315839/step Wall: 4340.25, 0.00315839/step, 3.17822 hours remaining, 240.093750 MB of memory in use. ENERGY: 1377400 4052.5317 20422.9206 14433.1825 231.5790 -203248.0724 2423.1263 0.0000 0.0000 51959.8673 -109724.8649 298.6141 -161684.7323 -109371.8126 298.3685 -568.3588 -534.5222 761956.0744 -1.9784 -1.8724 PRESSURE: 1377600 143.302 -102.65 64.5149 -102.65 -339.482 116.141 64.5142 116.14 -284.832 GPRESSURE: 1377600 120.593 -175.985 84.5052 -83.2542 -248.76 34.8004 88.1864 158.667 -238.091 PRESSAVG: 1377600 35.9157 -12.1093 -21.5206 -12.1093 -30.1872 7.06247 -21.5205 7.06252 1.05652 GPRESSAVG: 1377600 33.3011 -12.5493 -23.5691 -12.3641 -27.8918 6.2083 -19.6068 5.59411 1.40319 TIMING: 1377600 CPU: 4340.88, 0.00315357/step Wall: 4340.88, 0.00315357/step, 3.1732 hours remaining, 240.093750 MB of memory in use. ENERGY: 1377600 4007.2050 20427.5143 14477.2193 251.1143 -203243.7177 2607.1596 0.0000 0.0000 52016.9911 -109456.5142 298.9424 -161473.5053 -109097.5236 298.7597 -160.3376 -122.0859 762347.4391 2.2617 2.2708 PRESSURE: 1377800 186.484 200.181 -78.0795 200.181 -17.8367 -111.212 -78.0795 -111.212 -73.4446 GPRESSURE: 1377800 236.979 176.197 -111.068 298.643 20.9643 -84.0897 -73.1787 -20.6237 -71.8873 PRESSAVG: 1377800 -60.8664 9.41993 -44.5147 9.41986 19.0208 -13.8535 -44.5148 -13.8536 -12.7641 GPRESSAVG: 1377800 -58.6136 10.9166 -41.7308 9.04935 15.9223 -11.5693 -47.9078 -13.0296 -12.2949 TIMING: 1377800 CPU: 4341.51, 0.00315311/step Wall: 4341.51, 0.00315311/step, 3.17255 hours remaining, 240.093750 MB of memory in use. ENERGY: 1377800 3953.4045 20435.5861 14420.0191 264.3729 -202674.5098 2213.4758 0.0000 0.0000 51754.7429 -109632.9085 297.4352 -161387.6514 -109265.0909 298.9062 31.7343 62.0186 763325.8846 -18.2032 -18.3287 PRESSURE: 1378000 -371.973 -214.937 -119.913 -214.937 111.344 19.5789 -119.913 19.5786 -92.9244 GPRESSURE: 1378000 -287.204 -148.484 -98.729 -144.159 36.4563 -17.4623 -178.985 31.8567 -16.0808 PRESSAVG: 1378000 42.0977 18.8458 50.0262 18.8458 -22.2104 7.31324 50.0262 7.31323 -1.80331 GPRESSAVG: 1378000 41.4436 17.7098 49.9142 21.1989 -22.0875 6.00256 52.6111 8.02775 -1.88418 TIMING: 1378000 CPU: 4342.14, 0.0031317/step Wall: 4342.14, 0.0031317/step, 3.15083 hours remaining, 240.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1378000 3972.8173 20377.1211 14463.5395 256.8771 -203198.7629 2593.6265 0.0000 0.0000 51792.4306 -109742.3508 297.6518 -161534.7814 -109379.5016 298.3648 -117.8511 -88.9429 762582.3703 6.0280 5.8240 PRESSURE: 1378200 -146.261 -104.72 98.6985 -104.72 314.862 -250.863 98.6991 -250.864 -89.9516 GPRESSURE: 1378200 -86.8839 61.2299 -56.3624 -236.405 313.387 -211.878 71.5006 -292.118 -60.5436 PRESSAVG: 1378200 -20.381 -9.88475 7.09884 -9.88471 35.7335 -19.5326 7.09887 -19.5326 11.4884 GPRESSAVG: 1378200 -19.8977 -10.3683 3.96972 -11.8087 35.6676 -19.8819 8.34582 -21.6885 11.5398 TIMING: 1378200 CPU: 4342.77, 0.00315302/step Wall: 4342.77, 0.00315302/step, 3.17211 hours remaining, 240.093750 MB of memory in use. ENERGY: 1378200 3883.3651 20515.1862 14428.9010 229.7877 -203640.0893 2762.3992 0.0000 0.0000 51988.4791 -109831.9709 298.7785 -161820.4500 -109468.1216 298.2550 26.2165 55.3197 761839.9046 8.9470 9.1032 PRESSURE: 1378400 -256.592 74.7028 -1.61249 74.7024 125.836 4.20609 -1.61288 4.20591 -134.618 GPRESSURE: 1378400 -169.387 -4.51878 -26.5588 68.9993 120.526 -51.5067 27.6222 147.819 -141.53 PRESSAVG: 1378400 49.2588 17.464 -42.8684 17.4639 -17.6134 -34.4294 -42.8684 -34.4294 -7.97359 GPRESSAVG: 1378400 49.0391 16.9556 -41.2945 18.4372 -17.2057 -34.0292 -44.1005 -31.0783 -8.81363 TIMING: 1378400 CPU: 4343.4, 0.00314511/step Wall: 4343.4, 0.00314511/step, 3.16398 hours remaining, 240.093750 MB of memory in use. ENERGY: 1378400 3994.3423 20487.3709 14380.4308 245.7597 -203301.3824 2596.8819 0.0000 0.0000 51876.2543 -109720.3425 298.1335 -161596.5968 -109355.8095 298.1878 -88.4579 -63.4638 762576.5828 7.8906 7.6733 PRESSURE: 1378600 -85.4899 -230.359 48.9449 -230.359 108.19 42.6088 48.9459 42.6088 71.2074 GPRESSURE: 1378600 -23.9505 -172.29 11.6372 -223.689 98.5162 79.2566 -2.73826 85.9166 108.468 PRESSAVG: 1378600 4.13331 -41.6688 -19.9196 -41.6688 -3.05983 13.841 -19.9196 13.841 2.18248 GPRESSAVG: 1378600 2.97544 -40.9006 -19.1568 -41.2871 -1.93367 14.6349 -22.94 12.3993 2.40998 TIMING: 1378600 CPU: 4344.03, 0.00314546/step Wall: 4344.03, 0.00314546/step, 3.16416 hours remaining, 240.093750 MB of memory in use. ENERGY: 1378600 3921.1136 20500.9687 14446.8512 263.0016 -203643.1738 2722.9240 0.0000 0.0000 51852.1998 -109936.1151 297.9953 -161788.3148 -109570.6064 298.0802 31.3025 61.0114 760387.1218 1.0853 1.1506 PRESSURE: 1378800 -35.4295 -101.118 -279.673 -101.118 -227.036 -113.393 -279.674 -113.393 95.3884 GPRESSURE: 1378800 -87.2023 -69.0645 -254.39 -81.4909 -107.33 -191.58 -149.339 -176.346 118.701 PRESSAVG: 1378800 -33.5486 -42.9935 -66.4321 -42.9935 45.1999 -44.6561 -66.4321 -44.6561 -11.4481 GPRESSAVG: 1378800 -33.2845 -40.5135 -65.967 -42.5939 45.9105 -45.8243 -63.492 -44.5114 -12.1492 TIMING: 1378800 CPU: 4344.66, 0.00315156/step Wall: 4344.66, 0.00315156/step, 3.17012 hours remaining, 240.093750 MB of memory in use. ENERGY: 1378800 3987.2226 20447.4951 14499.9455 232.3551 -203407.7540 2341.3847 0.0000 0.0000 52042.9751 -109856.3760 299.0917 -161899.3510 -109494.0702 298.3733 -55.6925 -25.2772 760531.7685 0.0678 0.1590 PRESSURE: 1379000 -91.6238 -29.164 -107.299 -29.164 -69.4738 -115.504 -107.299 -115.504 89.275 GPRESSURE: 1379000 -25.3776 -119.706 -164.941 -6.10847 -95.6479 -141.385 -84.0992 107.439 127.686 PRESSAVG: 1379000 -15.8846 -4.408 0.568054 -4.4081 -3.19864 -31.3934 0.568081 -31.3934 -5.05518 GPRESSAVG: 1379000 -15.5524 -7.26573 -2.08895 -4.41678 -5.61121 -30.7922 0.0222712 -32.3224 -3.29782 TIMING: 1379000 CPU: 4345.29, 0.00313451/step Wall: 4345.29, 0.00313451/step, 3.1528 hours remaining, 240.093750 MB of memory in use. ENERGY: 1379000 4065.9972 20388.2904 14448.1007 253.0097 -203343.6552 2582.4625 0.0000 0.0000 51729.4869 -109876.3078 297.2901 -161605.7947 -109522.0769 298.4802 -23.9409 2.2202 761217.8007 -8.0461 -8.1538 PRESSURE: 1379200 -200.627 -6.57571 60.0716 -6.57439 70.5987 78.378 60.071 78.3781 -134.547 GPRESSURE: 1379200 -205.984 -7.13031 -17.5315 58.7775 187.279 14.9916 155.466 -83.7611 -151.022 PRESSAVG: 1379200 -14.6615 -28.5177 60.6116 -28.5177 -22.5568 -7.86827 60.6116 -7.86828 19.9724 GPRESSAVG: 1379200 -15.4451 -29.4789 62.4849 -28.3949 -20.9586 -7.13557 60.8253 -7.15202 19.8745 TIMING: 1379200 CPU: 4345.91, 0.0031353/step Wall: 4345.91, 0.0031353/step, 3.15342 hours remaining, 240.093750 MB of memory in use. ENERGY: 1379200 4022.5967 20474.0677 14427.1335 262.4710 -203582.1178 2633.9346 0.0000 0.0000 51845.5301 -109916.3841 297.9570 -161761.9142 -109554.4697 298.3784 -88.1919 -56.5756 760533.7658 -5.7487 -5.5097 PRESSURE: 1379400 -145.262 86.7603 -109.521 86.7605 43.7402 237.979 -109.521 237.978 281.227 GPRESSURE: 1379400 -124.133 -24.1021 -86.0193 132.03 63.6101 263.893 -25.79 195.795 323.063 PRESSAVG: 1379400 25.0287 -24.2496 -21.0258 -24.2495 -9.43365 -44.1964 -21.0258 -44.1964 -11.4212 GPRESSAVG: 1379400 24.757 -22.3006 -20.4017 -25.8581 -8.44838 -46.6303 -21.0542 -43.912 -12.0866 TIMING: 1379400 CPU: 4346.54, 0.00312434/step Wall: 4346.54, 0.00312434/step, 3.14222 hours remaining, 240.093750 MB of memory in use. ENERGY: 1379400 3955.5772 20329.8384 14452.1730 259.0431 -204028.0337 2903.1441 0.0000 0.0000 52136.1030 -109992.1548 299.6269 -162128.2579 -109630.9278 298.1539 59.9018 87.5136 759524.1917 1.3913 1.4073 PRESSURE: 1379600 -247.775 -15.049 -250.396 -15.0485 -278.084 334.979 -250.396 334.979 -452.668 GPRESSURE: 1379600 -170.904 -58.2864 -210.808 -112.936 -254.538 296.043 -265.987 179.059 -447.644 PRESSAVG: 1379600 -34.4039 -27.645 -33.4981 -27.645 5.70539 -14.7429 -33.4981 -14.7429 -23.4748 GPRESSAVG: 1379600 -33.2307 -28.8306 -34.4603 -26.4844 4.39731 -12.0256 -33.6689 -16.0339 -23.49 TIMING: 1379600 CPU: 4347.16, 0.00312851/step Wall: 4347.16, 0.00312851/step, 3.14624 hours remaining, 240.093750 MB of memory in use. ENERGY: 1379600 4028.7852 20391.7365 14445.8300 243.6682 -203580.0643 2401.1261 0.0000 0.0000 52132.2615 -109936.6568 299.6048 -162068.9183 -109569.3491 298.5105 -326.1755 -291.0288 761478.1976 -17.3911 -17.4411 PRESSURE: 1379800 -137.458 208.959 -1.80351 208.96 -348.095 -145.3 -1.80375 -145.3 -151.534 GPRESSURE: 1379800 -161.131 62.6823 19.0819 242.969 -236.737 -131.25 74.9936 -120.532 -140.328 PRESSAVG: 1379800 53.4139 12.563 -26.0453 12.563 -68.2671 -8.05525 -26.0453 -8.05529 -5.34081 GPRESSAVG: 1379800 52.7759 12.8989 -26.1467 12.0211 -68.0969 -7.86403 -25.5023 -6.60807 -4.7295 TIMING: 1379800 CPU: 4347.79, 0.00313759/step Wall: 4347.79, 0.00313759/step, 3.1552 hours remaining, 240.093750 MB of memory in use. ENERGY: 1379800 4029.2642 20487.0244 14463.1008 246.0317 -203448.0711 2502.1406 0.0000 0.0000 51982.3422 -109738.1674 298.7432 -161720.5095 -109368.9648 298.6453 -212.3620 -179.3984 761677.1819 -6.7313 -6.6835 PRESSURE: 1380000 -517.156 17.1329 128.927 17.1329 -237.445 -95.1027 128.928 -95.1024 257.875 GPRESSURE: 1380000 -479.116 74.5599 92.3342 198.259 -163.411 -160.838 0.493723 -23.2321 221.328 PRESSAVG: 1380000 31.7846 -14.5613 34.3978 -14.5613 -46.0445 -30.3911 34.3978 -30.3911 1.95733 GPRESSAVG: 1380000 31.8674 -13.6582 35.2948 -13.8058 -46.4699 -31.0171 33.2033 -30.4138 2.29358 TIMING: 1380000 CPU: 4348.42, 0.0031231/step Wall: 4348.42, 0.0031231/step, 3.14045 hours remaining, 240.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1380000 4063.4183 20528.8464 14442.0281 248.4398 -203895.1789 2880.7305 0.0000 0.0000 52019.8684 -109711.8474 298.9589 -161731.7158 -109360.2382 299.2331 -165.5754 -140.3998 760470.9971 -4.1009 -4.1030 PRESSURE: 1380200 -256.624 -17.1054 206.175 -17.1061 67.4737 -85.4613 206.176 -85.4609 -165.676 GPRESSURE: 1380200 -215.317 66.0689 191.567 -124.292 73.0956 -87.9468 80.2084 -97.7936 -128.664 PRESSAVG: 1380200 -8.78792 -19.8963 37.3542 -19.8962 22.3294 -26.6895 37.3543 -26.6895 -24.2779 GPRESSAVG: 1380200 -8.26771 -19.8591 38.7298 -21.2404 23.321 -27.0347 37.0221 -27.2996 -25.7518 TIMING: 1380200 CPU: 4349.04, 0.00311387/step Wall: 4349.04, 0.00311387/step, 3.13099 hours remaining, 240.093750 MB of memory in use. ENERGY: 1380200 4053.0523 20523.3377 14410.0733 259.2908 -203958.5930 2869.6911 0.0000 0.0000 52106.2838 -109736.8640 299.4555 -161843.1478 -109379.0696 299.2511 -118.2754 -90.2951 759029.5923 -3.5788 -3.5662 LDB: ============= START OF LOAD BALANCING ============== 4361.43 LDB: ============== END OF LOAD BALANCING =============== 4361.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4361.44 LDB: ============= START OF LOAD BALANCING ============== 4361.75 LDB: Largest compute 7068 load 0.030036 is 15.3% of average load 0.195984 LDB: Average compute 0.004393 is 2.2% of average load 0.195984 LDB: TIME 4361.75 LOAD: AVG 0.195984 MAX 0.216096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.344 MB LDB: TIME 4361.75 LOAD: AVG 0.195984 MAX 0.216096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: TIME 4361.75 LOAD: AVG 0.195984 MAX 0.216096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: ============== END OF LOAD BALANCING =============== 4361.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4361.76 PRESSURE: 1380400 -109.734 -67.1472 17.2594 -67.1466 11.8794 16.2012 17.2594 16.2006 -140.433 GPRESSURE: 1380400 -12.5092 -55.1813 -4.82756 -49.7172 -84.0989 -58.1246 -72.2906 -20.6089 -49.7982 PRESSAVG: 1380400 -35.6955 -35.4101 56.5825 -35.4101 51.3133 -68.9108 56.5825 -68.9108 7.65865 GPRESSAVG: 1380400 -36.372 -37.0299 55.0494 -33.0009 51.3897 -69.7184 57.0288 -67.9093 8.32734 TIMING: 1380400 CPU: 4349.68, 0.0031882/step Wall: 4349.68, 0.0031882/step, 3.20556 hours remaining, 237.328125 MB of memory in use. ENERGY: 1380400 4038.7813 20437.3953 14430.7635 245.1201 -203491.7542 2860.6525 0.0000 0.0000 51859.4151 -109619.6264 298.0368 -161479.0415 -109265.7178 298.9402 -79.4294 -48.8021 759674.4336 7.7588 7.7817 PRESSURE: 1380600 -146.846 -174.599 -35.06 -174.598 -35.6382 110.982 -35.06 110.982 84.4941 GPRESSURE: 1380600 -74.0499 -227.975 -17.4264 -138.565 -17.4478 173.686 -10.898 -6.62204 62.088 PRESSAVG: 1380600 51.9049 -69.7224 44.3566 -69.7224 -56.6194 -40.8331 44.3566 -40.8331 -8.07868 GPRESSAVG: 1380600 53.3129 -67.7323 44.4187 -70.9757 -58.2486 -39.3844 45.1143 -40.4156 -8.15104 TIMING: 1380600 CPU: 4350.3, 0.00313476/step Wall: 4350.3, 0.00313476/step, 3.15165 hours remaining, 237.328125 MB of memory in use. ENERGY: 1380600 3992.3710 20472.2069 14426.0130 245.3486 -203651.9782 2789.3799 0.0000 0.0000 51909.3129 -109817.3458 298.3235 -161726.6587 -109453.7626 298.7372 -32.6635 -9.8032 763280.2774 -4.2644 -4.3623 PRESSURE: 1380800 88.9737 -23.7904 -14.4215 -23.7917 -51.0473 -10.9546 -14.4215 -10.955 33.9919 GPRESSURE: 1380800 125.683 -46.3079 15.3995 -57.15 -9.75097 75.6314 23.3637 23.4925 61.5293 PRESSAVG: 1380800 24.7049 -34.2892 -19.3383 -34.2892 -50.3756 16.5839 -19.3383 16.584 -0.42131 GPRESSAVG: 1380800 22.6396 -34.6174 -17.9881 -34.2858 -49.3353 14.7177 -19.5683 17.1735 0.8979 TIMING: 1380800 CPU: 4350.93, 0.00311695/step Wall: 4350.93, 0.00311695/step, 3.13357 hours remaining, 237.328125 MB of memory in use. ENERGY: 1380800 4005.1868 20449.9304 14508.4587 237.1171 -203562.7339 2622.9847 0.0000 0.0000 52075.3046 -109663.7517 299.2775 -161739.0563 -109301.4152 298.4580 23.9728 59.1538 761796.4251 -8.6974 -8.5993 PRESSURE: 1381000 -46.0607 -201.231 145.808 -201.231 16.7001 1.82174 145.809 1.82191 6.11387 GPRESSURE: 1381000 11.5695 1.25204 127.239 -293.143 65.4782 72.1682 71.5633 -76.5419 -32.0195 PRESSAVG: 1381000 -37.5994 -4.05364 -45.3944 -4.05366 -5.40473 13.6056 -45.3943 13.6056 -25.2338 GPRESSAVG: 1381000 -37.0563 -4.03768 -46.2967 -4.85299 -5.31617 14.8034 -45.2163 11.2905 -26.5093 TIMING: 1381000 CPU: 4351.55, 0.00311609/step Wall: 4351.55, 0.00311609/step, 3.13254 hours remaining, 237.328125 MB of memory in use. ENERGY: 1381000 4018.4220 20485.1405 14463.8946 243.1176 -203420.4708 2517.2915 0.0000 0.0000 52069.9401 -109622.6646 299.2467 -161692.6047 -109260.8638 298.7912 -7.7489 15.0094 760309.0636 -22.7460 -22.9606 PRESSURE: 1381200 635.102 -81.5058 -4.39983 -81.505 -127.121 -122.352 -4.39909 -122.352 221.009 GPRESSURE: 1381200 505.934 -58.7904 10.1786 -99.9135 -27.6385 -204.652 -107.57 -126.557 319.499 PRESSAVG: 1381200 57.6668 -28.5271 -35.6125 -28.5272 5.57645 -43.0184 -35.6126 -43.0184 2.67684 GPRESSAVG: 1381200 57.3466 -29.0099 -36.4304 -28.3111 5.20001 -42.3757 -36.9864 -43.7356 3.35355 TIMING: 1381200 CPU: 4352.17, 0.00312618/step Wall: 4352.17, 0.00312618/step, 3.1425 hours remaining, 237.328125 MB of memory in use. ENERGY: 1381200 3954.2281 20497.0225 14522.0022 244.1959 -203560.1259 2832.1092 0.0000 0.0000 51936.8457 -109573.7224 298.4818 -161510.5681 -109212.1449 298.7607 242.9967 265.9317 760713.2297 21.9734 21.9667 PRESSURE: 1381400 -52.6842 -224.854 -19.2815 -224.853 -70.2134 179.255 -19.281 179.254 22.2488 GPRESSURE: 1381400 9.24424 -168.133 -84.9385 -147.126 -59.2086 190.576 3.29614 174.99 39.2777 PRESSAVG: 1381400 42.9874 -64.4407 -72.2417 -64.4407 -9.15987 -13.7356 -72.2417 -13.7355 -1.61769 GPRESSAVG: 1381400 43.482 -63.6651 -73.0005 -64.9683 -9.14026 -14.8667 -71.1746 -11.9606 -2.37898 TIMING: 1381400 CPU: 4352.8, 0.00313573/step Wall: 4352.8, 0.00313573/step, 3.15193 hours remaining, 237.328125 MB of memory in use. ENERGY: 1381400 3998.6857 20480.8699 14501.4777 250.6119 -203307.0206 2568.2124 0.0000 0.0000 51915.9309 -109591.2322 298.3616 -161507.1631 -109229.8868 298.7978 -33.5496 -3.5622 760283.9188 10.7366 10.6543 PRESSURE: 1381600 57.952 -125.029 142.957 -125.03 -69.5643 79.9377 142.956 79.9372 -30.8538 GPRESSURE: 1381600 168.067 -162.094 106.64 -107.39 -114.08 99.9173 280.809 103.244 3.2182 PRESSAVG: 1381600 75.045 -27.9642 -10.5837 -27.9641 -33.7821 -48.9229 -10.5838 -48.9229 -13.9578 GPRESSAVG: 1381600 75.5343 -27.3944 -9.34023 -27.2316 -35.7634 -47.8429 -10.0428 -49.4523 -12.5978 TIMING: 1381600 CPU: 4353.43, 0.0031369/step Wall: 4353.43, 0.0031369/step, 3.15294 hours remaining, 237.328125 MB of memory in use. ENERGY: 1381600 3984.5617 20672.0417 14394.9452 229.0872 -203177.2987 2367.2381 0.0000 0.0000 52044.5097 -109484.9151 299.1005 -161529.4248 -109116.8247 299.5287 -14.1554 19.0685 760027.8142 9.1017 9.0577 PRESSURE: 1381800 -6.5163 67.4767 25.8032 67.4777 66.4383 -13.0207 25.8026 -13.0213 -122.848 GPRESSURE: 1381800 -21.486 103.606 76.3287 111.031 146.986 98.8626 -182.546 91.2541 -104.982 PRESSAVG: 1381800 18.4442 -0.0782989 0.913333 -0.0783455 -24.7247 -13.937 0.913391 -13.937 5.51899 GPRESSAVG: 1381800 18.7163 -0.422918 1.20443 -0.372792 -23.1557 -12.8852 1.87128 -15.8792 3.61644 TIMING: 1381800 CPU: 4354.05, 0.00311609/step Wall: 4354.05, 0.00311609/step, 3.13184 hours remaining, 237.328125 MB of memory in use. ENERGY: 1381800 3989.5704 20857.3852 14484.8378 262.5390 -203378.8973 2437.5723 0.0000 0.0000 51816.6666 -109530.3258 297.7911 -161346.9924 -109172.9871 299.3199 -20.9752 6.8394 759783.4750 -0.2538 -0.2743 PRESSURE: 1382000 168.663 -301.629 256.562 -301.629 94.6839 -8.11024 256.562 -8.1094 -102.951 GPRESSURE: 1382000 105.206 -283.354 270.627 -205.943 201.021 -41.6592 177.494 -23.1035 -71.5763 PRESSAVG: 1382000 -0.297637 -25.0579 13.4518 -25.0578 -43.5121 -3.78323 13.4518 -3.78324 11.2054 GPRESSAVG: 1382000 -0.937653 -25.9746 12.3546 -22.2244 -42.682 -4.43008 12.4689 -1.8353 10.8373 TIMING: 1382000 CPU: 4354.68, 0.00313379/step Wall: 4354.68, 0.00313379/step, 3.14946 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1382000 4008.6839 20475.6122 14460.3691 260.7948 -203471.4307 2678.7146 0.0000 0.0000 52014.7941 -109572.4621 298.9297 -161587.2561 -109198.8657 299.2263 53.4654 78.2170 760540.0887 -10.8681 -10.9275 PRESSURE: 1382200 280.134 116.425 21.9061 116.425 38.638 -100.384 21.9058 -100.384 563.928 GPRESSURE: 1382200 348.553 140.684 43.2893 139.343 80.7891 -144.88 68.9229 -47.7531 539.662 PRESSAVG: 1382200 79.1157 -62.8883 2.10007 -62.8883 -65.168 1.82897 2.10013 1.82899 5.40471 GPRESSAVG: 1382200 78.4374 -62.9885 1.76461 -64.3199 -65.4488 1.72385 2.66809 1.28775 6.35336 TIMING: 1382200 CPU: 4355.3, 0.00311768/step Wall: 4355.3, 0.00311768/step, 3.13309 hours remaining, 237.328125 MB of memory in use. ENERGY: 1382200 3966.3475 20409.0936 14408.5784 242.9243 -203313.8586 2550.8767 0.0000 0.0000 52065.3535 -109670.6845 299.2203 -161736.0380 -109308.2841 299.3421 294.2333 323.0013 761198.0973 6.4508 6.4473 PRESSURE: 1382400 147.218 10.916 -26.3724 10.916 -451.749 -6.62164 -26.372 -6.62189 755.262 GPRESSURE: 1382400 180.529 52.7913 -74.3387 -7.31993 -341.735 -99.3659 -104.68 -75.7517 700.18 PRESSAVG: 1382400 6.20912 -76.2063 -81.4725 -76.2063 -62.0157 -7.45624 -81.4725 -7.45626 -2.82418 GPRESSAVG: 1382400 6.94799 -75.3619 -79.8899 -77.7099 -62.1917 -9.92689 -80.7806 -6.35834 -3.64771 TIMING: 1382400 CPU: 4355.93, 0.00311963/step Wall: 4355.93, 0.00311962/step, 3.13488 hours remaining, 237.328125 MB of memory in use. ENERGY: 1382400 3900.5833 20487.5671 14507.3805 232.6306 -203167.9306 2273.0804 0.0000 0.0000 52128.5678 -109638.1210 299.5836 -161766.6888 -109286.5175 298.8218 150.2437 179.6581 760759.9341 -19.5436 -19.6305 PRESSURE: 1382600 24.13 -226.969 -59.9397 -226.969 290.101 -220.473 -59.9394 -220.474 225.62 GPRESSURE: 1382600 72.6583 -349.342 26.3803 -190.374 269.724 -190.91 -30.0969 -204.227 292.93 PRESSAVG: 1382600 22.0686 -60.9483 -17.4164 -60.9483 -21.7486 -31.5683 -17.4164 -31.5683 -0.769484 GPRESSAVG: 1382600 21.701 -61.7129 -18.4173 -61.9095 -22.7409 -29.2344 -20.5758 -31.6681 0.288676 TIMING: 1382600 CPU: 4356.55, 0.00312313/step Wall: 4356.55, 0.00312313/step, 3.13823 hours remaining, 237.328125 MB of memory in use. ENERGY: 1382600 4015.0951 20413.5318 14481.7474 240.9228 -203274.7093 2628.6306 0.0000 0.0000 51905.6488 -109589.1328 298.3025 -161494.7816 -109225.4536 298.9041 179.9504 211.7708 760906.8215 -0.1498 -0.2504 PRESSURE: 1382800 0.420472 -192.466 -53.4752 -192.467 26.5006 143.84 -53.4757 143.841 501.797 GPRESSURE: 1382800 35.8644 -167.47 -2.96847 -55.6235 50.2587 24.095 -77.7617 100.37 518.045 PRESSAVG: 1382800 60.0756 -77.7485 -26.1007 -77.7485 -50.7052 -20.8202 -26.1006 -20.8202 6.82834 GPRESSAVG: 1382800 59.6009 -77.2196 -27.2093 -74.9907 -50.7272 -21.4494 -22.465 -20.2927 7.47863 TIMING: 1382800 CPU: 4357.18, 0.00312318/step Wall: 4357.18, 0.00312318/step, 3.1381 hours remaining, 237.328125 MB of memory in use. ENERGY: 1382800 4032.4973 20387.8134 14517.9347 247.1351 -203686.7665 2981.0294 0.0000 0.0000 52003.2158 -109517.1409 298.8632 -161520.3567 -109153.8094 298.7090 176.2394 201.3895 759863.6640 5.3996 5.4508 PRESSURE: 1383000 110.993 16.9291 -280.68 16.9291 199.824 -191.051 -280.68 -191.052 -159.431 GPRESSURE: 1383000 170.947 -94.3252 -226.01 -33.9296 205.603 -80.8128 -317.175 -111.184 -150.856 PRESSAVG: 1383000 -26.1922 -34.3504 -30.1309 -34.3504 20.8088 17.1782 -30.1309 17.1781 -26.6503 GPRESSAVG: 1383000 -24.3063 -33.9113 -28.9811 -35.3938 20.3513 16.6808 -32.7272 16.5753 -28.5896 TIMING: 1383000 CPU: 4357.8, 0.00313156/step Wall: 4357.8, 0.00313156/step, 3.14635 hours remaining, 237.328125 MB of memory in use. ENERGY: 1383000 3907.8462 20594.4730 14542.9983 252.8127 -203434.6557 2652.0824 0.0000 0.0000 51865.4823 -109618.9609 298.0716 -161484.4431 -109252.7822 298.9945 50.4619 75.2311 761674.2702 -10.6779 -10.8482 PRESSURE: 1383200 135.831 -152.037 -139.492 -152.037 -348.579 -89.8515 -139.493 -89.8522 116.5 GPRESSURE: 1383200 105.1 -88.9962 -100.474 -53.1704 -266.757 -26.7861 -254.092 -75.242 148.008 PRESSAVG: 1383200 82.3099 -22.8734 -48.1602 -22.8734 -41.1345 -14.2393 -48.1602 -14.2392 17.9818 GPRESSAVG: 1383200 80.7688 -21.3412 -47.1116 -23.2091 -40.3595 -13.9048 -47.705 -14.3073 18.7155 TIMING: 1383200 CPU: 4358.43, 0.00314889/step Wall: 4358.43, 0.00314889/step, 3.16358 hours remaining, 237.328125 MB of memory in use. ENERGY: 1383200 3901.4979 20491.6200 14474.1898 225.3508 -203557.2682 2813.7175 0.0000 0.0000 52129.1671 -109521.7251 299.5870 -161650.8923 -109165.5943 298.5152 -32.0831 -4.5496 762100.3893 19.7191 19.7083 PRESSURE: 1383400 6.38484 -99.0877 -55.0234 -99.0882 -25.8054 2.20613 -55.0233 2.20663 300.247 GPRESSURE: 1383400 6.52582 -58.9525 -132.197 -5.22233 78.6383 -14.2296 -56.912 5.38933 299.785 PRESSAVG: 1383400 14.7347 -24.2572 -56.0614 -24.2572 -33.5852 25.0274 -56.0614 25.0274 -1.27949 GPRESSAVG: 1383400 16.2161 -26.9141 -56.8535 -22.8474 -33.9841 24.2588 -56.152 24.8945 -1.67887 TIMING: 1383400 CPU: 4359.06, 0.00315515/step Wall: 4359.06, 0.00315515/step, 3.1697 hours remaining, 237.328125 MB of memory in use. ENERGY: 1383400 3992.3052 20396.2394 14457.9268 241.2018 -203602.4295 2896.9717 0.0000 0.0000 51945.7831 -109672.0015 298.5331 -161617.7845 -109307.5850 298.6430 93.6087 128.3164 761228.6547 -6.7100 -6.4823 PRESSURE: 1383600 -94.4446 119.277 269.757 119.278 147.738 -10.243 269.757 -10.2437 -292.869 GPRESSURE: 1383600 -33.0572 -63.1157 201.263 97.9964 77.5912 -20.3008 241.062 4.05044 -230.122 PRESSAVG: 1383600 38.6838 -17.175 -18.0123 -17.175 -18.4753 -29.9995 -18.0122 -29.9995 -14.9259 GPRESSAVG: 1383600 37.6693 -17.0317 -16.8509 -18.4813 -18.2213 -28.8464 -16.5521 -32.0241 -14.5181 TIMING: 1383600 CPU: 4359.69, 0.00315078/step Wall: 4359.69, 0.00315078/step, 3.16514 hours remaining, 237.328125 MB of memory in use. ENERGY: 1383600 3974.6615 20438.8328 14424.5913 264.8454 -203770.7103 2712.2003 0.0000 0.0000 52122.8341 -109832.7449 299.5506 -161955.5790 -109470.0190 298.7041 -79.8586 -61.8629 760885.0310 1.7609 1.6433 PRESSURE: 1383800 -38.2501 -234.389 -216.189 -234.389 33.4343 -50.2062 -216.189 -50.2062 81.8895 GPRESSURE: 1383800 14.7126 -209.142 -202.386 -326.144 54.5242 -46.7674 -276.568 -62.0657 108.241 PRESSAVG: 1383800 7.87839 -6.74231 2.29977 -6.74231 10.5158 -10.3904 2.29968 -10.3904 8.83874 GPRESSAVG: 1383800 8.34482 -7.60948 2.32724 -6.0265 9.46866 -10.7638 0.70707 -11.2559 9.69498 TIMING: 1383800 CPU: 4360.32, 0.00312706/step Wall: 4360.32, 0.00312706/step, 3.14113 hours remaining, 237.328125 MB of memory in use. ENERGY: 1383800 3925.8048 20507.8145 14459.6220 237.1604 -203736.2491 2791.3917 0.0000 0.0000 51877.9553 -109936.5005 298.1433 -161814.4558 -109576.2216 298.7338 25.6912 59.1592 761440.5583 9.0776 9.1695 PRESSURE: 1384000 -221.465 170.882 -100.088 170.882 205.234 -27.747 -100.088 -27.7452 -10.7162 GPRESSURE: 1384000 -124.547 214.743 -135.333 193.371 163.425 -79.5521 -101.821 -105.134 11.2624 PRESSAVG: 1384000 -6.67255 32.6149 -24.7342 32.6149 -4.23944 57.3714 -24.7342 57.3714 6.57391 GPRESSAVG: 1384000 -6.37548 33.6832 -24.9526 32.4123 -4.54916 57.2022 -24.291 57.5335 6.29195 TIMING: 1384000 CPU: 4360.94, 0.00313301/step Wall: 4360.94, 0.00313301/step, 3.14693 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1384000 4004.4023 20377.2750 14479.2120 263.6692 -203916.7938 2769.9402 0.0000 0.0000 52082.1665 -109940.1286 299.3169 -162022.2951 -109578.7499 298.5819 -8.9824 16.7134 760504.0873 -1.4460 -1.5442 PRESSURE: 1384200 6.98716 126.645 -150.864 126.645 -302.853 111.575 -150.864 111.575 27.8728 GPRESSURE: 1384200 95.5467 139.281 -76.4186 37.219 -392.329 35.4723 -103.809 109.253 108.313 PRESSAVG: 1384200 49.3921 9.00101 -71.8707 9.001 -37.0926 -16.3655 -71.8708 -16.3655 26.9022 GPRESSAVG: 1384200 48.5449 6.7855 -72.2111 9.77006 -36.2137 -15.3382 -72.253 -14.6485 26.8316 TIMING: 1384200 CPU: 4361.57, 0.00311958/step Wall: 4361.57, 0.00311958/step, 3.13327 hours remaining, 237.328125 MB of memory in use. ENERGY: 1384200 4018.3273 20428.3055 14452.9499 249.1131 -203988.0820 2916.9703 0.0000 0.0000 51910.5611 -110011.8549 298.3307 -161922.4160 -109657.9982 298.4214 -89.3310 -62.8234 760973.4347 13.0673 13.0543 LDB: ============= START OF LOAD BALANCING ============== 4373.96 LDB: ============== END OF LOAD BALANCING =============== 4373.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4373.97 LDB: ============= START OF LOAD BALANCING ============== 4374.28 LDB: Largest compute 7068 load 0.032163 is 16.4% of average load 0.195965 LDB: Average compute 0.004375 is 2.2% of average load 0.195965 LDB: TIME 4374.28 LOAD: AVG 0.195965 MAX 0.213456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 4374.28 LOAD: AVG 0.195965 MAX 0.213456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 4374.28 LOAD: AVG 0.195965 MAX 0.213456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 4374.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4374.29 PRESSURE: 1384400 168.008 8.35151 -97.5086 8.35226 -228.202 -112.875 -97.5076 -112.876 262.318 GPRESSURE: 1384400 126.658 17.2376 -133.986 19.0159 -117.713 -136.465 -86.2017 -191.404 274.847 PRESSAVG: 1384400 18.5117 -21.1171 -25.7239 -21.1172 -16.1242 -1.49943 -25.724 -1.49943 0.824299 GPRESSAVG: 1384400 17.4583 -20.3275 -27.6304 -20.9357 -16.372 -2.27805 -24.4317 -4.74435 1.66755 TIMING: 1384400 CPU: 4362.21, 0.00320088/step Wall: 4362.21, 0.00320088/step, 3.21475 hours remaining, 237.839844 MB of memory in use. ENERGY: 1384400 3971.3842 20484.9763 14409.6718 249.5402 -203358.6931 2705.8139 0.0000 0.0000 51766.6628 -109770.6438 297.5037 -161537.3066 -109422.7117 298.0364 67.3749 94.5973 760859.8044 1.0706 0.9179 PRESSURE: 1384600 -557.502 -15.9295 -4.23956 -15.9296 -603.005 143.3 -4.23865 143.301 -616.177 GPRESSURE: 1384600 -599.296 43.8887 -112.102 30.6616 -598.464 143.006 87.4579 114.054 -509.011 PRESSAVG: 1384600 24.2437 6.65118 -6.46369 6.65118 -4.31643 27.115 -6.46372 27.115 2.26835 GPRESSAVG: 1384600 24.8885 6.84179 -4.86391 7.92335 -3.60327 26.8391 -6.97833 29.4488 0.849582 TIMING: 1384600 CPU: 4362.83, 0.00311228/step Wall: 4362.83, 0.00311228/step, 3.1256 hours remaining, 237.839844 MB of memory in use. ENERGY: 1384600 3973.8048 20506.0751 14377.2774 254.4847 -203337.4866 2487.2278 0.0000 0.0000 51786.9788 -109951.6379 297.6205 -161738.6167 -109599.7040 297.9807 -592.2277 -568.9235 761983.1075 7.3985 7.3783 PRESSURE: 1384800 -186.08 -272.26 -159.163 -272.26 -20.1254 -120.086 -159.163 -120.086 -166.69 GPRESSURE: 1384800 -116.358 -156.4 -169.868 -203.475 21.0069 -116.717 -136.816 -71.8099 -199.377 PRESSAVG: 1384800 60.2059 -4.872 10.358 -4.87204 -44.6215 0.219469 10.358 0.219446 18.4739 GPRESSAVG: 1384800 59.3413 -4.06339 11.1049 -5.48832 -45.2679 0.678405 9.98694 -1.85462 19.635 TIMING: 1384800 CPU: 4363.46, 0.00312708/step Wall: 4363.46, 0.00312708/step, 3.14029 hours remaining, 237.839844 MB of memory in use. ENERGY: 1384800 3941.7564 20414.6508 14471.4221 250.8322 -203487.8152 2604.0530 0.0000 0.0000 52056.6562 -109748.4446 299.1703 -161805.1008 -109386.2047 298.3205 -124.2988 -98.2427 760446.9851 11.3528 11.2362 PRESSURE: 1385000 -35.8644 -165.451 188.116 -165.451 24.949 56.495 188.116 56.4952 368.523 GPRESSURE: 1385000 -19.9089 -217.887 127.967 -191.655 162.826 161.135 123.454 48.2137 295.478 PRESSAVG: 1385000 -12.2504 -37.8348 -51.7775 -37.8348 14.7647 0.947146 -51.7775 0.947171 7.33764 GPRESSAVG: 1385000 -12.4405 -36.9145 -52.8957 -40.7996 15.6287 3.04155 -49.6693 3.85748 6.87346 TIMING: 1385000 CPU: 4364.08, 0.00313407/step Wall: 4364.08, 0.00313407/step, 3.14713 hours remaining, 237.839844 MB of memory in use. ENERGY: 1385000 3946.4775 20395.4603 14438.8608 224.5197 -203593.3382 2738.0100 0.0000 0.0000 51942.5613 -109907.4487 298.5146 -161850.0100 -109542.7804 298.3068 119.2026 146.1317 758977.6424 3.2840 3.3539 PRESSURE: 1385200 -422.376 160.193 196.795 160.194 127.318 -10.7017 196.795 -10.7017 -351.284 GPRESSURE: 1385200 -455.45 172.777 240.483 89.6518 257.874 -52.991 207.281 -88.2118 -336.781 PRESSAVG: 1385200 2.07266 77.821 -15.5831 77.821 -16.6645 4.64007 -15.5831 4.64016 -27.4526 GPRESSAVG: 1385200 2.28581 76.1541 -15.2771 77.7285 -17.2545 2.04236 -15.7683 3.08479 -27.0592 TIMING: 1385200 CPU: 4364.71, 0.00311737/step Wall: 4364.71, 0.00311737/step, 3.13018 hours remaining, 237.839844 MB of memory in use. ENERGY: 1385200 3896.6048 20418.8245 14435.5510 236.5648 -203252.9621 2563.2322 0.0000 0.0000 51895.5928 -109806.5919 298.2447 -161702.1847 -109449.0796 298.3479 -215.4476 -178.1190 759943.5758 -14.0148 -14.0093 PRESSURE: 1385400 101.407 25.7487 -327.485 25.7484 163.349 -235.056 -327.486 -235.057 232.582 GPRESSURE: 1385400 184.2 -15.8831 -303.91 72.2629 171.588 -218.641 -220.865 -35.4785 241.931 PRESSAVG: 1385400 7.50932 -43.6772 21.0717 -43.6772 -8.43054 -63.9674 21.0716 -63.9674 -13.7929 GPRESSAVG: 1385400 7.56119 -44.4588 21.7484 -42.1739 -7.81545 -63.0691 22.2525 -61.5406 -14.8304 TIMING: 1385400 CPU: 4365.33, 0.00312108/step Wall: 4365.33, 0.00312108/step, 3.13374 hours remaining, 237.839844 MB of memory in use. ENERGY: 1385400 3909.2139 20381.4756 14505.3243 267.5318 -203714.6387 2981.3838 0.0000 0.0000 51902.0445 -109767.6648 298.2818 -161669.7093 -109408.2758 298.4340 165.7795 199.2399 760535.2873 -4.9047 -5.0282 PRESSURE: 1385600 -453.509 154.349 188.43 154.35 -102.382 -135.803 188.431 -135.803 96.3824 GPRESSURE: 1385600 -412.108 57.7919 147.059 89.0312 -107.869 -150.677 213.521 -69.7284 155.412 PRESSAVG: 1385600 0.951457 50.1352 -19.5776 50.1352 -15.7009 -10.5966 -19.5776 -10.5966 -7.97378 GPRESSAVG: 1385600 0.886115 52.3099 -19.6255 49.2913 -16.3583 -9.8917 -21.991 -11.0793 -7.49331 TIMING: 1385600 CPU: 4365.96, 0.00312883/step Wall: 4365.96, 0.00312883/step, 3.14135 hours remaining, 237.839844 MB of memory in use. ENERGY: 1385600 4049.0314 20403.8887 14387.5711 242.1564 -203129.0787 2439.1848 0.0000 0.0000 51841.9982 -109765.2481 297.9367 -161607.2463 -109407.2666 298.2530 -153.1695 -121.5216 760058.9466 -7.5744 -7.6552 PRESSURE: 1385800 -375.395 -73.2174 126.724 -73.2179 -156.867 -123.14 126.724 -123.141 -19.434 GPRESSURE: 1385800 -369.522 39.5325 135.634 -37.7167 8.78043 67.9489 -60.7577 -165.549 -121.426 PRESSAVG: 1385800 -27.7829 -12.9982 29.2816 -12.9983 37.2474 -35.5811 29.2815 -35.581 16.3243 GPRESSAVG: 1385800 -26.8769 -14.7476 27.5734 -10.5285 36.7868 -34.1951 29.5036 -37.446 16.31 TIMING: 1385800 CPU: 4366.58, 0.00313279/step Wall: 4366.58, 0.00313279/step, 3.14515 hours remaining, 237.839844 MB of memory in use. ENERGY: 1385800 3993.8998 20592.6145 14524.3298 253.2085 -203591.5291 2537.6779 0.0000 0.0000 52025.5046 -109664.2940 298.9913 -161689.7986 -109307.8561 298.6900 -183.8985 -160.7227 760914.0892 8.5963 8.7400 PRESSURE: 1386000 143.07 60.5571 -124.458 60.5563 -0.819667 -246.34 -124.458 -246.341 447.184 GPRESSURE: 1386000 189.124 126.58 -108.074 -13.1674 30.7991 -191.679 34.008 -250.878 456.956 PRESSAVG: 1386000 28.5357 -35.3736 35.7838 -35.3737 -0.217547 14.0082 35.7838 14.0083 -10.4114 GPRESSAVG: 1386000 27.3791 -33.8127 37.5275 -36.6369 0.70333 13.0464 35.9805 14.5513 -9.89662 TIMING: 1386000 CPU: 4367.21, 0.00312787/step Wall: 4367.21, 0.00312787/step, 3.14003 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1386000 3947.5771 20573.0854 14372.4346 255.0971 -203233.8514 2400.0529 0.0000 0.0000 52135.1126 -109550.4916 299.6212 -161685.6042 -109183.7232 299.1834 196.4782 225.6263 760517.4525 5.9689 6.0619 PRESSURE: 1386200 29.4012 92.1059 -51.9179 92.1058 -36.2296 9.76175 -51.9185 9.76215 -311.43 GPRESSURE: 1386200 73.1247 30.8234 -102.392 23.3007 -50.8885 0.829074 39.8029 -10.9596 -257.852 PRESSAVG: 1386200 45.9429 -64.3513 -28.027 -64.3512 -28.8542 23.0521 -28.027 23.0521 0.662792 GPRESSAVG: 1386200 47.3502 -65.1311 -29.288 -65.5357 -30.6664 22.9916 -29.5306 26.3242 1.31494 TIMING: 1386200 CPU: 4367.84, 0.00313235/step Wall: 4367.84, 0.00313235/step, 3.14436 hours remaining, 237.839844 MB of memory in use. ENERGY: 1386200 3999.3492 20522.1792 14464.5930 233.2834 -202879.2147 2172.6451 0.0000 0.0000 51894.1849 -109592.9799 298.2366 -161487.1648 -109233.6026 299.3432 -106.0863 -78.5384 759979.4476 5.9172 5.9996 PRESSURE: 1386400 -70.9067 44.9894 -148.166 44.9891 -184.266 -35.8597 -148.166 -35.8599 -278.528 GPRESSURE: 1386400 -45.4252 105.904 -134.216 47.3249 -150.744 -139.856 -173.582 -32.7492 -243.35 PRESSAVG: 1386400 50.8348 -28.2168 -43.121 -28.2169 -53.4245 30.6633 -43.121 30.6634 -28.0484 GPRESSAVG: 1386400 49.7609 -29.3053 -42.9903 -27.6359 -52.4588 30.7715 -41.0742 27.1447 -27.8575 TIMING: 1386400 CPU: 4368.46, 0.00314598/step Wall: 4368.46, 0.00314598/step, 3.15787 hours remaining, 237.839844 MB of memory in use. ENERGY: 1386400 3987.5930 20499.0004 14408.0709 234.5750 -203453.3466 2555.7875 0.0000 0.0000 52078.8123 -109689.5076 299.2977 -161768.3199 -109320.0630 299.0963 -177.9003 -146.5066 761095.2805 -10.2127 -10.1852 PRESSURE: 1386600 361.015 62.8874 -81.3105 62.8874 -48.0553 -223.877 -81.3105 -223.876 335.985 GPRESSURE: 1386600 387.636 122.933 -81.3153 53.7494 80.6201 -249.022 -77.762 -212.334 270.131 PRESSAVG: 1386600 29.8174 -30.1529 10.5728 -30.1529 -25.8778 -25.8247 10.5728 -25.8248 4.35811 GPRESSAVG: 1386600 29.9729 -30.7792 10.8706 -29.4843 -24.7866 -25.3838 10.7822 -24.6162 3.68944 TIMING: 1386600 CPU: 4369.1, 0.00315107/step Wall: 4369.1, 0.00315107/step, 3.1628 hours remaining, 237.839844 MB of memory in use. ENERGY: 1386600 3976.8709 20348.4837 14379.0552 219.0038 -203431.6182 2715.8451 0.0000 0.0000 52264.2519 -109528.1075 300.3634 -161792.3594 -109161.8113 299.1331 216.3149 246.1290 760717.7937 2.7659 2.9586 PRESSURE: 1386800 -186.541 28.123 -214.177 28.123 -378.504 188.843 -214.177 188.842 -337.801 GPRESSURE: 1386800 -168.628 23.2401 -245.228 -32.2781 -404.839 216.055 -177.666 190.134 -262.168 PRESSAVG: 1386800 9.1722 -1.13326 -8.68233 -1.1333 -17.9478 34.0147 -8.68233 34.0147 -14.1974 GPRESSAVG: 1386800 9.56603 -0.326878 -10.0921 -1.86612 -19.3702 33.374 -7.0367 31.4781 -13.2842 TIMING: 1386800 CPU: 4369.72, 0.0031334/step Wall: 4369.72, 0.0031334/step, 3.14489 hours remaining, 237.839844 MB of memory in use. ENERGY: 1386800 3960.3764 20634.7630 14425.2573 233.8314 -203064.8392 2298.5700 0.0000 0.0000 51923.9850 -109588.0561 298.4079 -161512.0411 -109218.9473 299.3147 -300.9488 -278.5449 760930.1265 -7.6577 -7.6961 PRESSURE: 1387000 97.8651 -108.325 119.343 -108.326 -174.884 -149.911 119.343 -149.911 -88.6897 GPRESSURE: 1387000 178.752 -113.51 119.104 -202.306 -118.717 -225.944 119.246 -61.0334 -118.839 PRESSAVG: 1387000 49.3219 -22.1561 16.31 -22.1562 -101.23 22.8503 16.31 22.8503 15.2298 GPRESSAVG: 1387000 49.0031 -20.3659 17.9249 -24.2502 -100.988 22.1209 16.0885 23.6443 15.2641 TIMING: 1387000 CPU: 4370.35, 0.00313045/step Wall: 4370.35, 0.00313045/step, 3.14176 hours remaining, 237.839844 MB of memory in use. ENERGY: 1387000 3991.7038 20361.5044 14456.7342 255.3887 -203247.4030 2516.6449 0.0000 0.0000 52005.8229 -109659.6040 298.8782 -161665.4270 -109300.5187 298.4680 -55.2362 -19.6016 759602.3307 -12.2261 -12.2403 PRESSURE: 1387200 187.897 22.7871 44.2857 22.7883 193.868 60.9423 44.2854 60.9418 58.1076 GPRESSURE: 1387200 283.446 134.955 23.3553 -57.0448 222.854 76.4345 80.4395 59.2522 17.0276 PRESSAVG: 1387200 49.0463 -50.8315 -4.44011 -50.8315 -64.2138 -7.16671 -4.44007 -7.16663 10.16 GPRESSAVG: 1387200 50.1484 -51.1061 -5.80349 -49.2052 -64.2945 -5.82985 -5.37496 -6.74879 8.94038 TIMING: 1387200 CPU: 4370.98, 0.00314927/step Wall: 4370.98, 0.00314927/step, 3.16047 hours remaining, 237.839844 MB of memory in use. ENERGY: 1387200 3994.5659 20552.9008 14475.1007 248.5227 -203127.0450 2298.7644 0.0000 0.0000 51958.6768 -109598.5138 298.6072 -161557.1905 -109240.0182 298.8525 146.6241 174.4427 759802.5778 -1.6692 -1.7352 PRESSURE: 1387400 -158.485 135.677 17.9496 135.678 96.4855 7.18377 17.9489 7.18337 164.043 GPRESSURE: 1387400 -153.678 53.6561 138.805 132.874 80.1214 91.529 -71.2505 -60.3276 248.881 PRESSAVG: 1387400 -3.22074 -21.0456 36.8431 -21.0456 -23.187 -14.8568 36.8431 -14.8569 0.816067 GPRESSAVG: 1387400 -4.81928 -23.481 37.8106 -18.7573 -23.7228 -15.1011 35.735 -15.888 2.56611 TIMING: 1387400 CPU: 4371.61, 0.00314417/step Wall: 4371.61, 0.00314417/step, 3.15518 hours remaining, 237.839844 MB of memory in use. ENERGY: 1387400 4046.2111 20528.5075 14389.6816 246.9593 -203053.3411 2521.0474 0.0000 0.0000 51826.1737 -109494.7604 297.8457 -161320.9341 -109129.4515 299.1486 34.0144 58.4413 759526.7049 -8.5306 -8.6587 PRESSURE: 1387600 -464.567 -206.131 -152.305 -206.131 -96.3462 187.278 -152.304 187.278 -14.0377 GPRESSURE: 1387600 -339.982 -188.76 -168.392 -124.979 -187.822 198.501 -120.081 282.453 48.0314 PRESSAVG: 1387600 -4.62595 4.25251 67.8661 4.25246 26.9074 24.3696 67.8661 24.3696 28.6728 GPRESSAVG: 1387600 -4.38451 6.09173 65.9279 3.2347 27.0587 22.9131 69.2518 28.2003 28.4497 TIMING: 1387600 CPU: 4372.23, 0.00313446/step Wall: 4372.23, 0.00313446/step, 3.14526 hours remaining, 237.839844 MB of memory in use. ENERGY: 1387600 3987.5759 20425.8345 14481.2117 257.4841 -203579.1582 2770.7307 0.0000 0.0000 52111.2878 -109545.0335 299.4843 -161656.3213 -109184.2868 299.4883 -191.6505 -159.9242 761039.7815 16.9848 17.0413 PRESSURE: 1387800 214.243 188.143 123.071 188.144 -159.568 152.22 123.07 152.22 -327.655 GPRESSURE: 1387800 210.397 93.15 167.209 260.04 -76.2674 81.6435 86.3688 -11.511 -315.685 PRESSAVG: 1387800 46.5358 -35.0379 -18.1202 -35.0379 -61.2977 -11.4689 -18.1202 -11.4689 -11.8503 GPRESSAVG: 1387800 46.425 -35.302 -16.988 -34.9612 -59.8089 -10.8659 -18.3285 -13.3198 -13.0305 TIMING: 1387800 CPU: 4372.86, 0.00312942/step Wall: 4372.86, 0.00312942/step, 3.14002 hours remaining, 237.839844 MB of memory in use. ENERGY: 1387800 3976.7317 20390.7871 14493.8370 251.0633 -202906.8671 2372.8939 0.0000 0.0000 51872.8176 -109548.7365 298.1138 -161421.5541 -109195.1414 299.1283 -90.9933 -60.5187 762130.6754 -8.8708 -8.8048 PRESSURE: 1388000 -482.132 -171.17 97.5558 -171.169 -400.337 -98.387 97.5561 -98.3869 -281.186 GPRESSURE: 1388000 -437.682 -118.686 166.386 -65.6702 -416.435 -219.112 44.4184 -149.927 -215.099 PRESSAVG: 1388000 29.4289 -36.8959 -24.941 -36.8959 -16.0131 -18.6911 -24.941 -18.6911 -2.66468 GPRESSAVG: 1388000 30.0422 -35.1606 -24.0742 -36.4823 -17.3175 -18.5372 -24.4684 -18.4388 -1.93597 TIMING: 1388000 CPU: 4373.49, 0.00314006/step Wall: 4373.49, 0.00314006/step, 3.15053 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1388000 3946.7485 20487.9337 14453.8554 245.0158 -202698.8152 1937.1859 0.0000 0.0000 51825.6309 -109802.4451 297.8426 -161628.0760 -109446.8545 299.3971 -387.8851 -356.4053 761834.8270 3.5837 3.5963 PRESSURE: 1388200 -163.452 -93.1538 136.168 -93.1535 -149.332 24.3805 136.168 24.3807 494.166 GPRESSURE: 1388200 -173.256 -134.67 148.785 40.4614 -30.4429 -77.5546 109.282 -30.0891 433.604 PRESSAVG: 1388200 2.20916 -40.7066 -5.14774 -40.7066 59.5851 -6.65017 -5.14777 -6.65025 13.1563 GPRESSAVG: 1388200 2.9949 -41.1063 -4.70868 -42.2079 59.9987 -6.7867 -5.90724 -7.12612 11.6971 TIMING: 1388200 CPU: 4374.12, 0.00314778/step Wall: 4374.12, 0.00314778/step, 3.15809 hours remaining, 237.839844 MB of memory in use. ENERGY: 1388200 3981.5257 20396.9793 14395.8091 247.7195 -203330.3803 2584.2339 0.0000 0.0000 51990.4420 -109733.6707 298.7898 -161724.1128 -109372.9631 298.5186 60.4609 76.6348 760953.8665 24.9835 24.8969 LDB: ============= START OF LOAD BALANCING ============== 4386.51 LDB: ============== END OF LOAD BALANCING =============== 4386.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4386.51 LDB: ============= START OF LOAD BALANCING ============== 4386.83 LDB: Largest compute 7062 load 0.031956 is 16.3% of average load 0.195839 LDB: Average compute 0.004386 is 2.2% of average load 0.195839 LDB: TIME 4386.83 LOAD: AVG 0.195839 MAX 0.213567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.098 MB LDB: TIME 4386.83 LOAD: AVG 0.195839 MAX 0.213567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.098 MB LDB: TIME 4386.83 LOAD: AVG 0.195839 MAX 0.213567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.098 MB LDB: ============== END OF LOAD BALANCING =============== 4386.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4386.84 PRESSURE: 1388400 -171.522 117.438 -264.864 117.439 -237.311 -102.552 -264.863 -102.551 95.0379 GPRESSURE: 1388400 -134.328 183.796 -281.971 169.703 -150.95 -114.221 -255.507 -90.9233 51.7905 PRESSAVG: 1388400 20.2741 23.7862 -9.355 23.7861 -46.3357 -37.3497 -9.35505 -37.3496 3.78955 GPRESSAVG: 1388400 19.053 23.6397 -9.89501 25.6312 -45.5239 -37.5155 -9.79121 -36.8158 4.13366 TIMING: 1388400 CPU: 4374.76, 0.0032107/step Wall: 4374.76, 0.0032107/step, 3.22104 hours remaining, 239.691406 MB of memory in use. ENERGY: 1388400 3965.7394 20368.0058 14450.3223 245.0844 -203311.6133 2602.0747 0.0000 0.0000 51967.0199 -109713.3668 298.6552 -161680.3867 -109352.3664 298.8198 -104.5982 -77.8293 762237.3586 -7.4240 -7.4457 PRESSURE: 1388600 373.652 177.672 330.084 177.672 337.01 283.301 330.083 283.3 -102.776 GPRESSURE: 1388600 403.31 95.1397 393.54 239.93 314.38 270.049 406.847 340.762 -28.5418 PRESSAVG: 1388600 35.1603 -10.0143 -17.4278 -10.0143 -19.5969 -6.40231 -17.4278 -6.40224 22.8967 GPRESSAVG: 1388600 35.7628 -9.39536 -14.7046 -10.1022 -20.1039 -5.53998 -16.9925 -6.95547 23.1642 TIMING: 1388600 CPU: 4375.39, 0.00313841/step Wall: 4375.39, 0.00313842/step, 3.14835 hours remaining, 239.894531 MB of memory in use. ENERGY: 1388600 3934.0245 20419.1772 14479.1409 258.8618 -203540.8213 2603.1776 0.0000 0.0000 51958.9901 -109887.4491 298.6090 -161846.4391 -109528.1675 298.7682 202.6285 229.7158 760507.6938 12.8200 12.9410 PRESSURE: 1388800 -447.956 -301.89 69.3416 -301.891 -33.4672 300.187 69.341 300.188 -680.409 GPRESSURE: 1388800 -308.753 -342.694 18.1731 -246.99 -60.6949 277.515 185.623 350.018 -739.177 PRESSAVG: 1388800 -9.35396 -37.5527 -11.5982 -37.5527 46.7508 2.51174 -11.5981 2.51179 -18.6258 GPRESSAVG: 1388800 -8.77147 -37.6086 -15.1735 -37.629 45.7713 1.8063 -11.5914 3.67185 -18.9127 TIMING: 1388800 CPU: 4376.01, 0.00314094/step Wall: 4376.01, 0.00314094/step, 3.15071 hours remaining, 239.894531 MB of memory in use. ENERGY: 1388800 3979.5054 20388.8202 14413.6961 236.8281 -203117.5507 2170.5016 0.0000 0.0000 51875.5392 -110052.6602 298.1294 -161928.1994 -109687.3883 298.2002 -387.2772 -369.5416 761985.4642 6.2570 6.0290 PRESSURE: 1389000 -180.691 17.8879 104.293 17.8875 -132.993 -39.4972 104.293 -39.4977 -307.919 GPRESSURE: 1389000 -171.714 -8.3428 135.291 -39.1915 -123.285 -79.9483 60.1954 -132.405 -237.261 PRESSAVG: 1389000 -4.52713 -76.0834 51.146 -76.0835 20.8683 0.443053 51.146 0.443077 21.6095 GPRESSAVG: 1389000 -4.98839 -79.9768 50.7353 -76.7982 20.9143 1.34197 51.4999 -1.48005 21.9914 TIMING: 1389000 CPU: 4376.64, 0.00312499/step Wall: 4376.64, 0.00312498/step, 3.13453 hours remaining, 239.894531 MB of memory in use. ENERGY: 1389000 3918.2292 20564.4309 14350.3543 241.2168 -203302.3686 2275.7142 0.0000 0.0000 51758.4325 -110193.9908 297.4564 -161952.4233 -109829.0548 297.8851 -207.2007 -177.4203 760958.7571 12.6503 12.6391 PRESSURE: 1389200 -234.697 -218.698 264.906 -218.698 -170.463 -44.5624 264.906 -44.5613 -251.702 GPRESSURE: 1389200 -176.845 -178.939 128.235 -92.3266 -162.24 -55.3449 309.573 -90.1111 -232.328 PRESSAVG: 1389200 5.66075 -27.6678 50.464 -27.6679 41.6686 2.86899 50.4641 2.86902 10.5328 GPRESSAVG: 1389200 6.11809 -25.3647 51.2029 -26.1039 41.888 1.93805 49.398 4.19088 10.0879 TIMING: 1389200 CPU: 4377.27, 0.00314404/step Wall: 4377.27, 0.00314404/step, 3.15347 hours remaining, 239.894531 MB of memory in use. ENERGY: 1389200 4009.6820 20462.5403 14415.9715 262.4294 -203579.3899 2407.4551 0.0000 0.0000 51872.0707 -110149.2409 298.1095 -162021.3116 -109796.3815 298.0613 -218.9539 -190.4712 758812.4260 19.2874 19.3647 PRESSURE: 1389400 -326.188 -73.4387 54.8782 -73.4383 -132.176 -82.0024 54.8779 -82.0025 -317.962 GPRESSURE: 1389400 -296.871 -25.7638 99.2884 -43.9964 -101.27 32.088 171.664 -44.0427 -281.918 PRESSAVG: 1389400 -27.9396 -31.2459 66.7464 -31.2459 2.34884 -12.6768 66.7465 -12.6768 -12.1584 GPRESSAVG: 1389400 -27.6136 -30.9493 67.2084 -32.1311 1.46864 -12.8626 69.6892 -12.6475 -11.5635 TIMING: 1389400 CPU: 4377.9, 0.00314942/step Wall: 4377.9, 0.00314942/step, 3.15869 hours remaining, 239.894531 MB of memory in use. ENERGY: 1389400 3955.9877 20442.5373 14463.0210 250.7836 -203252.8295 2212.1050 0.0000 0.0000 51767.6527 -110160.7421 297.5094 -161928.3948 -109806.5495 298.2729 -258.7755 -226.6862 759069.2303 -12.5831 -12.5695 PRESSURE: 1389600 215.277 -152.86 94.3767 -152.86 -114.708 -230.904 94.3771 -230.905 -159.481 GPRESSURE: 1389600 109.23 -92.2957 94.0796 -110.85 4.61768 -230.603 50.1116 -181.583 -95.7717 PRESSAVG: 1389600 -22.34 -30.2305 33.3864 -30.2305 4.31013 -38.5337 33.3864 -38.5338 33.5468 GPRESSAVG: 1389600 -23.3321 -33.0368 34.3031 -28.4293 5.40605 -37.7565 33.3274 -37.9596 33.4471 TIMING: 1389600 CPU: 4378.53, 0.00313461/step Wall: 4378.53, 0.00313461/step, 3.14367 hours remaining, 239.894531 MB of memory in use. ENERGY: 1389600 4035.3534 20422.1432 14490.8253 241.4935 -203668.1465 2655.3660 0.0000 0.0000 51620.0121 -110202.9530 296.6609 -161822.9651 -109852.2808 297.9841 -19.6370 6.0254 758495.1717 5.1723 5.1737 PRESSURE: 1389800 138.683 -140.725 360.527 -140.726 -109.097 -5.55187 360.528 -5.55172 103.487 GPRESSURE: 1389800 190.515 -100.033 358.351 -106.897 -80.9798 -2.37212 349.2 -134.599 125.031 PRESSAVG: 1389800 61.9092 -52.5541 78.312 -52.5541 -68.1425 -62.5563 78.3121 -62.5563 -40.2579 GPRESSAVG: 1389800 61.6997 -50.7157 76.8421 -53.6107 -68.2338 -61.8489 76.4536 -62.9855 -39.982 TIMING: 1389800 CPU: 4379.16, 0.00314821/step Wall: 4379.16, 0.00314821/step, 3.15713 hours remaining, 239.894531 MB of memory in use. ENERGY: 1389800 3949.4853 20403.0657 14434.6548 248.0426 -203766.1201 2719.4230 0.0000 0.0000 51914.0150 -110097.4337 298.3506 -162011.4487 -109725.6147 298.2496 44.3580 78.1886 759580.6247 -15.4971 -15.5054 PRESSURE: 1390000 -216.56 104.941 -50.4052 104.941 -111.974 244.162 -50.4054 244.161 -236.034 GPRESSURE: 1390000 -180.197 14.8538 -116.65 116.574 -54.2091 200.272 -42.042 294.826 -252.411 PRESSAVG: 1390000 39.512 -32.8948 97.7647 -32.8948 -6.89556 -54.2395 97.7647 -54.2395 -3.89958 GPRESSAVG: 1390000 38.9653 -32.2554 100.092 -35.603 -6.27777 -55.016 95.7213 -54.4911 -4.00006 TIMING: 1390000 CPU: 4379.78, 0.00313145/step Wall: 4379.78, 0.00313145/step, 3.14015 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1390000 4037.3340 20380.6845 14385.9089 244.1646 -203619.3751 2468.8629 0.0000 0.0000 51955.8888 -110146.5313 298.5912 -162102.4201 -109780.4365 298.1895 -188.1892 -162.2723 760138.2549 9.5723 9.5625 PRESSURE: 1390200 -112.594 85.3517 -272.808 85.3511 471.262 144.356 -272.808 144.357 -165.886 GPRESSURE: 1390200 -34.2567 -47.4259 -297.548 46.6747 474.56 189.808 -118.887 70.0896 -157.864 PRESSAVG: 1390200 -15.0602 -25.6831 -40.1958 -25.6831 -29.072 -6.19711 -40.1957 -6.19717 3.55375 GPRESSAVG: 1390200 -14.2727 -25.1711 -40.9405 -23.5958 -30.023 -4.63222 -38.7248 -8.56099 2.63522 TIMING: 1390200 CPU: 4380.41, 0.0031363/step Wall: 4380.41, 0.0031363/step, 3.14484 hours remaining, 239.894531 MB of memory in use. ENERGY: 1390200 3973.2125 20406.9266 14404.5742 269.8939 -203835.8849 2905.6861 0.0000 0.0000 51746.5169 -110129.0746 297.3879 -161875.5914 -109774.7495 298.6342 64.2604 94.1462 761134.5618 -13.5261 -13.8868 PRESSURE: 1390400 -372.672 -96.3063 59.1863 -96.3056 -106.138 -128.881 59.1865 -128.881 -273.844 GPRESSURE: 1390400 -349.754 -125.495 95.903 -124.072 -119.24 -134.798 26.4629 -29.006 -198.439 PRESSAVG: 1390400 -37.0761 -50.663 16.4831 -50.663 40.3909 18.8975 16.4831 18.8975 -23.1453 GPRESSAVG: 1390400 -37.33 -49.5493 17.4502 -51.8943 40.8073 18.2944 16.6425 22.9403 -23.5938 TIMING: 1390400 CPU: 4381.04, 0.00315406/step Wall: 4381.04, 0.00315406/step, 3.16248 hours remaining, 239.894531 MB of memory in use. ENERGY: 1390400 3967.5450 20635.1425 14422.3760 241.6272 -203288.9062 2142.5272 0.0000 0.0000 51784.3000 -110095.3884 297.6051 -161879.6884 -109749.6427 297.6600 -250.8848 -222.4775 761138.8030 -6.6102 -6.7055 PRESSURE: 1390600 121.71 -111.842 -107.663 -111.842 52.1054 135.87 -107.662 135.869 351.689 GPRESSURE: 1390600 191.021 -28.8191 -147.312 33.0848 98.2978 182.822 81.0892 107.89 303.943 PRESSAVG: 1390600 -33.5308 -6.02291 30.8693 -6.02295 10.6729 50.7819 30.8693 50.7818 21.2744 GPRESSAVG: 1390600 -32.9473 -6.64733 29.318 -3.09041 10.0495 50.4387 29.6335 47.5292 20.9032 TIMING: 1390600 CPU: 4381.67, 0.00315203/step Wall: 4381.67, 0.00315203/step, 3.16027 hours remaining, 239.894531 MB of memory in use. ENERGY: 1390600 3929.2692 20451.6326 14350.3647 236.1557 -203658.3697 2876.1916 0.0000 0.0000 51823.1155 -109991.6403 297.8282 -161814.7558 -109638.1947 298.3119 175.1680 197.7541 759893.0000 -0.5278 -0.6649 PRESSURE: 1390800 322.697 171.18 104.495 171.18 118.028 -62.1595 104.495 -62.1596 357.784 GPRESSURE: 1390800 321.162 210.457 180.934 115.094 187.024 30.6468 86.5325 -93.5823 360.582 PRESSAVG: 1390800 27.5763 -19.6484 -17.5541 -19.6484 -14.7705 -23.267 -17.5541 -23.267 -1.12446 GPRESSAVG: 1390800 26.7151 -19.1905 -17.101 -22.0202 -14.935 -23.065 -14.3778 -22.3006 -0.380262 TIMING: 1390800 CPU: 4382.3, 0.00313619/step Wall: 4382.3, 0.00313619/step, 3.1442 hours remaining, 239.894531 MB of memory in use. ENERGY: 1390800 3908.8195 20479.0301 14360.6753 239.7467 -203660.1409 2793.0974 0.0000 0.0000 52005.7811 -109872.9908 298.8779 -161878.7719 -109509.0766 297.8719 266.1693 289.5892 760645.8631 3.8938 3.8000 PRESSURE: 1391000 -99.9918 -141.126 145.111 -141.125 146.415 -379.151 145.11 -379.151 -312.282 GPRESSURE: 1391000 -111.257 -166.92 152.498 -144.956 235.769 -446.062 143.224 -337.859 -291.854 PRESSAVG: 1391000 34.9812 -20.5546 -27.9775 -20.5546 -19.6112 15.3347 -27.9776 15.3347 -18.3202 GPRESSAVG: 1391000 35.3353 -20.9094 -29.7446 -19.6274 -20.2609 14.8423 -28.7412 16.3835 -17.6624 TIMING: 1391000 CPU: 4382.93, 0.00315165/step Wall: 4382.93, 0.00315165/step, 3.15953 hours remaining, 239.894531 MB of memory in use. ENERGY: 1391000 4064.2722 20438.1565 14455.6033 247.3523 -203151.8971 2369.2627 0.0000 0.0000 52017.2357 -109560.0143 298.9438 -161577.2500 -109206.7128 298.4536 -88.6194 -55.7805 759893.1447 -0.9834 -0.8627 PRESSURE: 1391200 72.6629 97.5672 -94.2002 97.5671 -67.3649 -125.7 -94.199 -125.7 313.591 GPRESSURE: 1391200 106.277 14.0112 -97.3432 135.054 -50.5651 -46.1237 -84.9113 -114.48 350.975 PRESSAVG: 1391200 24.2343 27.8387 -11.3444 27.8387 6.26 12.464 -11.3444 12.464 14.1343 GPRESSAVG: 1391200 23.3164 26.4491 -9.2098 26.3756 7.00882 14.6947 -12.2748 10.6886 14.8633 TIMING: 1391200 CPU: 4383.56, 0.00314476/step Wall: 4383.56, 0.00314476/step, 3.15245 hours remaining, 239.894531 MB of memory in use. ENERGY: 1391200 3953.4615 20635.4163 14355.7144 243.0925 -203552.6706 2570.8506 0.0000 0.0000 51986.2594 -109807.8759 298.7657 -161794.1353 -109446.7004 299.1632 106.2964 135.5621 761585.4811 14.8762 15.0628 PRESSURE: 1391400 -264.005 -116.644 245.184 -116.643 36.2928 111.754 245.183 111.754 208.572 GPRESSURE: 1391400 -267.618 -110.867 227.316 -19.3696 97.9655 111.987 220.852 106.04 239.359 PRESSAVG: 1391400 -47.2122 -22.4364 43.9018 -22.4364 -9.61105 44.506 43.9018 44.506 -23.7126 GPRESSAVG: 1391400 -46.6837 -19.3738 42.8826 -21.1587 -8.93631 43.0517 41.9091 46.5661 -24.6412 TIMING: 1391400 CPU: 4384.19, 0.00314455/step Wall: 4384.19, 0.00314455/step, 3.15207 hours remaining, 239.894531 MB of memory in use. ENERGY: 1391400 3969.7587 20494.2047 14460.5447 242.4247 -203471.1251 2408.1802 0.0000 0.0000 52171.8756 -109724.1365 299.8325 -161896.0121 -109348.5691 299.1881 -6.3800 23.2352 761188.4268 -26.8453 -26.7537 PRESSURE: 1391600 57.7565 -91.041 95.1607 -91.0412 278.298 232.832 95.1602 232.831 -95.4156 GPRESSURE: 1391600 -2.01365 -44.4702 123.349 -98.7615 323.915 254.002 97.3513 179.005 0.0690905 PRESSAVG: 1391600 -4.54811 28.0077 38.1314 28.0076 4.49509 -13.6835 38.1314 -13.6834 0.0422803 GPRESSAVG: 1391600 -4.45666 28.1259 40.4988 26.3498 3.12913 -12.5602 38.5339 -16.194 0.983705 TIMING: 1391600 CPU: 4384.81, 0.00312376/step Wall: 4384.81, 0.00312377/step, 3.13105 hours remaining, 239.894531 MB of memory in use. ENERGY: 1391600 3978.6680 20543.4995 14423.6759 273.0646 -203552.1064 2545.1337 0.0000 0.0000 52017.4784 -109770.5862 298.9452 -161788.0646 -109409.7218 299.0405 80.2128 107.3234 760754.5915 -0.0036 -0.1146 PRESSURE: 1391800 -232.723 27.8541 34.8447 27.8539 4.6032 16.2607 34.8447 16.2605 46.4285 GPRESSURE: 1391800 -120.903 35.2038 -16.7842 157.209 61.7502 -50.8626 -10.8723 150.956 -40.1764 PRESSAVG: 1391800 20.5086 -29.8526 -19.0531 -29.8526 -5.96842 30.5844 -19.0531 30.5844 -8.26267 GPRESSAVG: 1391800 20.8557 -31.8374 -21.4028 -27.2484 -4.43468 28.0684 -17.448 32.8275 -9.2162 TIMING: 1391800 CPU: 4385.44, 0.00313087/step Wall: 4385.44, 0.00313087/step, 3.138 hours remaining, 239.894531 MB of memory in use. ENERGY: 1391800 3999.7764 20429.0123 14366.2370 240.7837 -203221.8260 2303.0089 0.0000 0.0000 52226.8024 -109656.2053 300.1482 -161883.0076 -109300.7207 299.4839 -60.5637 -33.1099 759845.8074 2.0925 2.4016 PRESSURE: 1392000 398.07 -59.5187 468.694 -59.5187 -112.865 365.635 468.695 365.635 -349.35 GPRESSURE: 1392000 351.496 -23.6634 403.428 -3.16788 -81.8583 359.221 480.74 338.774 -270.021 PRESSAVG: 1392000 47.8826 -39.1536 8.8489 -39.1536 -71.7897 -9.12207 8.84889 -9.12209 12.2029 GPRESSAVG: 1392000 48.823 -38.5254 10.837 -40.6543 -72.4207 -5.75726 7.16509 -8.66693 12.2152 TIMING: 1392000 CPU: 4386.07, 0.00315251/step Wall: 4386.07, 0.00315251/step, 3.15952 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1392000 4037.4727 20492.2452 14504.4975 258.4281 -203752.1748 2735.6699 0.0000 0.0000 51842.0137 -109881.8477 297.9368 -161723.8614 -109528.2713 298.8305 -21.3817 -0.1279 760031.2105 -3.9014 -3.7942 PRESSURE: 1392200 223.613 -256.553 172.208 -256.554 -381.368 99.8339 172.209 99.8347 -325.812 GPRESSURE: 1392200 211.133 -240.398 115.916 -230.307 -271.836 167.391 136.821 -95.4902 -333.08 PRESSAVG: 1392200 31.0054 -22.729 20.7573 -22.7291 -39.2256 7.33749 20.7572 7.33749 23.6757 GPRESSAVG: 1392200 30.9701 -22.2987 19.3544 -24.5131 -40.0661 6.14455 22.1738 4.0759 24.5193 TIMING: 1392200 CPU: 4386.7, 0.00315518/step Wall: 4386.7, 0.00315519/step, 3.16202 hours remaining, 239.894531 MB of memory in use. ENERGY: 1392200 3938.0711 20569.1491 14423.1156 250.3890 -203772.8375 2829.0863 0.0000 0.0000 51633.8581 -110129.1683 296.7405 -161763.0263 -109772.6607 298.7349 -161.1890 -131.2612 760505.3366 5.1519 5.1411 LDB: ============= START OF LOAD BALANCING ============== 4399.1 LDB: ============== END OF LOAD BALANCING =============== 4399.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4399.1 LDB: ============= START OF LOAD BALANCING ============== 4399.41 LDB: Largest compute 7031 load 0.031210 is 15.9% of average load 0.195921 LDB: Average compute 0.004380 is 2.2% of average load 0.195921 LDB: TIME 4399.41 LOAD: AVG 0.195921 MAX 0.21421 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 4399.41 LOAD: AVG 0.195921 MAX 0.21421 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 4399.41 LOAD: AVG 0.195921 MAX 0.21421 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 4399.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4399.42 PRESSURE: 1392400 -222.845 -78.5844 85.4507 -78.5845 -294.338 158.09 85.4506 158.091 -457.889 GPRESSURE: 1392400 -236.536 -23.6439 151.398 -76.5181 -286.556 114.698 -33.5542 -19.5424 -361.907 PRESSAVG: 1392400 -10.6457 -65.535 -21.152 -65.5351 -31.7789 2.26397 -21.1521 2.26406 -22.5899 GPRESSAVG: 1392400 -11.5812 -64.6165 -19.5152 -64.9758 -30.13 2.01345 -21.7896 3.40397 -23.3166 TIMING: 1392400 CPU: 4387.34, 0.00319801/step Wall: 4387.34, 0.00319801/step, 3.20476 hours remaining, 237.839844 MB of memory in use. ENERGY: 1392400 3960.2431 20472.0684 14381.1382 253.5942 -203437.5146 2473.1073 0.0000 0.0000 52049.6789 -109847.6845 299.1302 -161897.3634 -109479.9028 298.4802 -325.0240 -294.9996 762062.5665 -21.6715 -21.6759 PRESSURE: 1392600 -30.0893 -188.821 -74.6076 -188.82 -10.5196 -216.924 -74.6081 -216.923 -50.0867 GPRESSURE: 1392600 56.047 -213.339 -140.607 -159.032 -0.577849 -174.153 -130.824 -101.094 -65.5444 PRESSAVG: 1392600 -18.3611 -27.1772 14.8054 -27.1772 13.247 -26.2351 14.8055 -26.2351 -12.565 GPRESSAVG: 1392600 -18.3703 -27.7522 15.8226 -25.0259 14.0134 -26.4516 13.0758 -24.8771 -13.3643 TIMING: 1392600 CPU: 4387.96, 0.00311953/step Wall: 4387.96, 0.00311953/step, 3.12594 hours remaining, 237.917969 MB of memory in use. ENERGY: 1392600 3988.4242 20643.0012 14333.6304 239.0567 -203933.0681 2694.7006 0.0000 0.0000 52144.3888 -109889.8663 299.6745 -162034.2551 -109538.4987 298.7660 -30.2319 -3.3584 760681.7314 -5.8930 -5.9071 PRESSURE: 1392800 86.5266 -71.3386 162.322 -71.3389 90.3845 -57.6727 162.322 -57.6731 39.8962 GPRESSURE: 1392800 186.746 -111.507 175.949 14.7361 87.2102 -47.7967 123.157 4.60261 17.6574 PRESSAVG: 1392800 25.7135 -24.5505 -13.5443 -24.5505 -18.0724 35.8089 -13.5444 35.8089 9.32477 GPRESSAVG: 1392800 26.0698 -26.1405 -14.7986 -24.5974 -19.796 36.8784 -12.1493 34.2569 11.1518 TIMING: 1392800 CPU: 4388.59, 0.00313335/step Wall: 4388.59, 0.00313335/step, 3.13961 hours remaining, 237.917969 MB of memory in use. ENERGY: 1392800 3989.3543 20593.6110 14423.2428 259.1154 -204126.8031 2683.7805 0.0000 0.0000 52328.8066 -109848.8926 300.7344 -162177.6992 -109485.7027 299.2948 72.2691 97.2046 759397.5582 5.6553 5.8085 PRESSURE: 1393000 -147.862 28.9913 48.5243 28.9923 24.0621 209.768 48.5242 209.77 353.824 GPRESSURE: 1393000 -106.79 111.468 77.6865 54.0957 31.5581 235.65 42.6962 -32.1573 386.098 PRESSAVG: 1393000 -45.6237 -5.23285 -30.8858 -5.23283 -11.4474 -12.1153 -30.8859 -12.1153 -15.5423 GPRESSAVG: 1393000 -44.6188 -4.13799 -30.5152 -4.71783 -10.7446 -12.8623 -31.6718 -13.0462 -17.1616 TIMING: 1393000 CPU: 4389.21, 0.00313193/step Wall: 4389.21, 0.00313193/step, 3.13802 hours remaining, 237.917969 MB of memory in use. ENERGY: 1393000 3944.5712 20697.9594 14397.8350 255.4793 -204141.9289 2929.0113 0.0000 0.0000 52053.6050 -109863.4677 299.1528 -161917.0727 -109503.1401 299.5464 76.6749 103.6223 760220.4624 -24.2045 -24.1750 PRESSURE: 1393200 175.277 -139.355 -139.696 -139.356 140.759 -81.4903 -139.695 -81.4902 -484.796 GPRESSURE: 1393200 48.2185 -173.45 -224.206 -104.849 209.807 -89.1453 -3.47002 -70.1974 -355.586 PRESSAVG: 1393200 -34.6576 3.22562 42.3991 3.2256 1.16173 23.5387 42.3991 23.5387 -21.802 GPRESSAVG: 1393200 -35.1209 3.74889 42.7878 2.45187 0.622585 23.1066 41.864 25.896 -20.8609 TIMING: 1393200 CPU: 4389.84, 0.00313782/step Wall: 4389.84, 0.00313782/step, 3.14375 hours remaining, 237.917969 MB of memory in use. ENERGY: 1393200 4026.8820 20464.8345 14473.6223 268.2003 -203738.7784 2639.4510 0.0000 0.0000 52038.1603 -109827.6281 299.0640 -161865.7884 -109464.1948 299.1400 -56.2536 -32.5201 760345.3465 -18.4326 -18.4531 PRESSURE: 1393400 244.983 -148.099 18.8468 -148.099 43.2957 294.518 18.8471 294.519 -160.562 GPRESSURE: 1393400 281.654 -67.5512 -30.9379 -124.248 27.3308 337.992 88.6658 272.502 -101.68 PRESSAVG: 1393400 -6.64256 -5.5385 23.7943 -5.53851 14.9386 39.9489 23.7944 39.9489 -6.47969 GPRESSAVG: 1393400 -7.25168 -5.34863 23.5527 -6.93994 15.7646 41.1668 26.7325 38.6213 -6.58492 TIMING: 1393400 CPU: 4390.47, 0.00313493/step Wall: 4390.47, 0.00313493/step, 3.14067 hours remaining, 237.917969 MB of memory in use. ENERGY: 1393400 3983.6516 20652.0634 14422.4531 252.8934 -203749.8547 2541.4808 0.0000 0.0000 52073.9440 -109823.3686 299.2697 -161897.3126 -109464.1706 298.7955 42.5725 69.1017 760346.7679 0.6054 0.6427 PRESSURE: 1393600 -233.929 -38.1111 150.096 -38.1107 238.49 -166.072 150.096 -166.073 65.6072 GPRESSURE: 1393600 -135.413 -55.9044 175.97 -52.4936 263.113 -197.317 106.129 -154.056 22.0081 PRESSAVG: 1393600 -55.8099 7.47345 36.5274 7.47345 7.41542 19.8251 36.5274 19.8251 -13.6696 GPRESSAVG: 1393600 -56.1115 6.12366 35.6928 8.13268 7.55857 19.5398 33.7736 20.4408 -13.689 TIMING: 1393600 CPU: 4391.1, 0.00315853/step Wall: 4391.1, 0.00315853/step, 3.16415 hours remaining, 237.917969 MB of memory in use. ENERGY: 1393600 4030.5667 20542.3050 14438.5508 261.8957 -203875.0180 2652.5494 0.0000 0.0000 52049.3674 -109899.7829 299.1284 -161949.1503 -109539.4670 298.8635 23.3894 49.9028 760782.2206 -20.6880 -20.7473 PRESSURE: 1393800 153.054 99.982 -195.366 99.9819 -453.684 17.0201 -195.366 17.0205 -235.171 GPRESSURE: 1393800 98.0134 145.597 -86.1977 15.7642 -327.516 15.5726 -188.487 -61.0074 -211.286 PRESSAVG: 1393800 -24.1673 -39.6586 -5.70007 -39.6586 83.3988 20.5217 -5.70004 20.5217 7.17423 GPRESSAVG: 1393800 -24.4767 -36.6573 -5.58023 -39.9248 82.5894 21.024 -6.58099 19.8299 7.5962 TIMING: 1393800 CPU: 4391.73, 0.00315618/step Wall: 4391.73, 0.00315618/step, 3.16162 hours remaining, 237.917969 MB of memory in use. ENERGY: 1393800 4008.2395 20361.4580 14393.0535 258.4678 -203827.2718 2663.8186 0.0000 0.0000 52152.7660 -109989.4683 299.7227 -162142.2343 -109623.7294 298.6255 -178.6004 -146.9297 761391.0408 22.1352 21.9030 PRESSURE: 1394000 -434.665 -43.9704 -168.962 -43.9711 -31.4968 19.9441 -168.96 19.945 -130.911 GPRESSURE: 1394000 -437.877 -39.2891 -176.541 10.8308 33.2532 26.9876 -149.797 -1.12182 -107.957 PRESSAVG: 1394000 15.8974 10.9085 -33.1575 10.9085 -50.7134 -27.4261 -33.1576 -27.4261 18.4777 GPRESSAVG: 1394000 17.07 7.88737 -33.662 11.7255 -51.2839 -27.8881 -31.9907 -27.327 17.4386 TIMING: 1394000 CPU: 4392.36, 0.0031649/step Wall: 4392.36, 0.0031649/step, 3.17017 hours remaining, 237.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1394000 3982.5760 20460.9168 14486.9479 252.2322 -203572.5223 2430.4371 0.0000 0.0000 52077.0196 -109882.3927 299.2873 -161959.4123 -109526.1339 298.5054 -199.0243 -170.8602 762023.3408 -5.4461 -5.5917 PRESSURE: 1394200 42.3244 -208.958 146.06 -208.958 -12.5367 -299.118 146.061 -299.118 237.117 GPRESSURE: 1394200 85.2049 -144.895 149.012 -148.209 -5.68756 -346.41 165.506 -199.035 275.728 PRESSAVG: 1394200 5.38289 10.6608 -0.640649 10.6608 -4.57475 13.907 -0.640628 13.9069 -19.0372 GPRESSAVG: 1394200 3.89513 13.8528 0.404701 8.82631 -5.23705 13.1803 -1.8444 15.2626 -17.2285 TIMING: 1394200 CPU: 4392.99, 0.00314453/step Wall: 4392.99, 0.00314453/step, 3.1496 hours remaining, 237.917969 MB of memory in use. ENERGY: 1394200 4001.4026 20448.6641 14477.3887 245.0692 -203704.1445 2488.0918 0.0000 0.0000 52124.7334 -109918.7948 299.5616 -162043.5282 -109545.1321 299.2641 88.9684 118.4152 760071.3194 -6.0764 -6.1901 PRESSURE: 1394400 -327.363 -132.309 95.6587 -132.309 193.76 -115.002 95.6584 -115.002 302.869 GPRESSURE: 1394400 -248.51 -62.9784 22.9504 -80.2899 127.496 -108.875 30.4709 -80.7603 378.76 PRESSAVG: 1394400 -4.23358 6.45383 -16.8065 6.45381 -17.5738 50.9981 -16.8065 50.998 23.1198 GPRESSAVG: 1394400 -2.94702 4.17103 -17.608 9.16032 -18.0291 53.6642 -14.1759 49.4231 22.2454 TIMING: 1394400 CPU: 4393.62, 0.00314136/step Wall: 4393.62, 0.00314136/step, 3.14625 hours remaining, 237.917969 MB of memory in use. ENERGY: 1394400 3995.3319 20417.6475 14527.3162 264.4789 -203826.5755 2762.7990 0.0000 0.0000 52153.9497 -109705.0523 299.7295 -161859.0019 -109336.3947 298.9367 56.4219 85.9152 760097.9850 0.4375 0.4231 PRESSURE: 1394600 30.0655 88.0955 81.114 88.0948 26.3064 207.12 81.1145 207.122 74.3276 GPRESSURE: 1394600 49.2513 95.6267 95.5848 122.7 88.0843 152.896 93.3127 177.499 87.6529 PRESSAVG: 1394600 -6.75588 -28.1155 31.438 -28.1155 45.3473 35.7077 31.438 35.7077 0.0400694 GPRESSAVG: 1394600 -7.71536 -29.1582 33.3871 -28.4574 46.0892 33.3895 29.4187 37.9454 -0.120943 TIMING: 1394600 CPU: 4394.25, 0.00314643/step Wall: 4394.25, 0.00314643/step, 3.15115 hours remaining, 237.917969 MB of memory in use. ENERGY: 1394600 3994.3838 20424.2256 14471.4295 262.8137 -203665.7040 2779.9823 0.0000 0.0000 51863.2889 -109869.5802 298.0590 -161732.8691 -109502.5899 298.9430 43.5665 74.9962 761445.4252 12.8772 12.7510 PRESSURE: 1394800 -35.4741 -66.1862 209.095 -66.1865 -46.2144 16.8536 209.095 16.8538 -108.624 GPRESSURE: 1394800 80.8275 -93.9211 149.423 -76.4381 -59.4861 -58.3603 232.608 -113.905 -128.784 PRESSAVG: 1394800 29.9391 -41.8483 -14.4122 -41.8483 -27.1998 -28.4361 -14.4122 -28.4361 6.55629 GPRESSAVG: 1394800 29.6659 -40.9823 -16.3289 -44.2343 -26.4334 -30.0353 -11.5126 -29.3218 5.1784 TIMING: 1394800 CPU: 4394.88, 0.00313395/step Wall: 4394.88, 0.00313395/step, 3.13847 hours remaining, 237.917969 MB of memory in use. ENERGY: 1394800 3921.9450 20442.8453 14516.4893 269.9432 -203261.6444 2093.8632 0.0000 0.0000 51897.0083 -110119.5501 298.2528 -162016.5584 -109763.6789 298.7341 -63.4374 -35.8141 760752.8675 3.0985 2.8036 PRESSURE: 1395000 -430.798 364.871 -124.61 364.871 18.2594 93.7125 -124.609 93.7125 -184.68 GPRESSURE: 1395000 -361.53 331.87 -195.053 422.625 -115.658 86.163 -183.697 126.769 -22.0925 PRESSAVG: 1395000 -12.8355 -49.2308 61.2831 -49.2308 5.26546 45.2006 61.2832 45.2006 27.2378 GPRESSAVG: 1395000 -12.0049 -51.292 62.1915 -46.8302 2.91589 46.4596 58.6855 44.7177 29.0862 TIMING: 1395000 CPU: 4395.51, 0.0031374/step Wall: 4395.51, 0.0031374/step, 3.14176 hours remaining, 237.917969 MB of memory in use. ENERGY: 1395000 3930.9482 20772.4415 14436.7716 231.7865 -203484.0727 2208.1665 0.0000 0.0000 51849.6489 -110054.3095 297.9806 -161903.9584 -109693.6555 298.5105 -199.0728 -166.4268 762041.3145 6.5559 6.6657 PRESSURE: 1395200 372.592 99.8592 80.4678 99.8594 151.464 2.87284 80.4674 2.87275 -28.8354 GPRESSURE: 1395200 355.595 66.0397 86.7643 95.0814 237.209 -126.113 154.664 130.978 -10.5418 PRESSAVG: 1395200 50.7959 2.53483 -12.1461 2.5349 7.3347 -2.06311 -12.1461 -2.06314 -13.0531 GPRESSAVG: 1395200 50.1002 5.01264 -13.4634 1.24586 9.05697 -3.29004 -10.6967 -1.44457 -14.2843 TIMING: 1395200 CPU: 4396.13, 0.00313972/step Wall: 4396.13, 0.00313972/step, 3.14391 hours remaining, 237.917969 MB of memory in use. ENERGY: 1395200 3913.3621 20672.3157 14439.0591 238.1983 -203620.5927 2465.7329 0.0000 0.0000 51969.9214 -109922.0033 298.6719 -161891.9247 -109547.3677 298.5023 165.0735 194.0874 759962.6359 15.0258 14.9576 PRESSURE: 1395400 -585.918 62.1609 -36.0901 62.1611 -5.05778 41.0904 -36.0895 41.0908 -178.428 GPRESSURE: 1395400 -336.685 14.1773 -43.9176 -66.9426 -127.07 42.7988 -118.171 134.772 -223.631 PRESSAVG: 1395400 -53.1871 -45.1538 -26.6241 -45.1538 66.8497 -2.45186 -26.6241 -2.45186 22.0672 GPRESSAVG: 1395400 -53.1834 -43.9561 -26.1441 -47.4598 67.5639 -1.04289 -27.7569 -3.07564 22.1852 TIMING: 1395400 CPU: 4396.76, 0.0031362/step Wall: 4396.76, 0.0031362/step, 3.14021 hours remaining, 237.917969 MB of memory in use. ENERGY: 1395400 4079.2853 20523.1261 14413.0257 243.3276 -203480.5366 2575.1865 0.0000 0.0000 51822.0527 -109824.5327 297.8220 -161646.5854 -109463.7933 298.3161 -256.4680 -229.1287 760939.4749 11.9100 12.1886 PRESSURE: 1395600 186.676 80.4106 164.914 80.4108 -124.769 -138.767 164.915 -138.765 -305.26 GPRESSURE: 1395600 308.046 92.8555 127.594 45.1571 -110.783 -137.374 199.996 -166.145 -360.711 PRESSAVG: 1395600 17.1512 -8.88099 31.245 -8.88097 24.009 44.4557 31.245 44.4556 -2.28201 GPRESSAVG: 1395600 17.9616 -8.69422 30.7368 -6.64389 23.1684 44.323 30.6377 44.2688 -2.56281 TIMING: 1395600 CPU: 4397.39, 0.00313568/step Wall: 4397.39, 0.00313568/step, 3.13951 hours remaining, 237.917969 MB of memory in use. ENERGY: 1395600 4090.2098 20522.9206 14435.3138 243.7153 -203625.7986 2684.2712 0.0000 0.0000 51767.2937 -109882.0742 297.5073 -161649.3679 -109519.7879 298.6214 -81.1175 -54.4828 761817.8779 12.9594 12.8558 PRESSURE: 1395800 129.72 -58.5023 70.3581 -58.502 123.519 -84.0543 70.3576 -84.0541 24.5522 GPRESSURE: 1395800 180.951 1.14971 60.4841 -76.3457 185.373 -38.7073 24.8664 -165.46 -21.4353 PRESSAVG: 1395800 72.5302 34.8188 40.0957 34.8187 -33.8458 -2.34094 40.0958 -2.34097 12.1033 GPRESSAVG: 1395800 71.9195 32.7635 39.7445 34.6026 -34.083 -2.35236 43.1234 -2.90625 12.3871 TIMING: 1395800 CPU: 4398.02, 0.00313626/step Wall: 4398.02, 0.00313626/step, 3.13992 hours remaining, 237.917969 MB of memory in use. ENERGY: 1395800 4014.6542 20591.7916 14475.0520 230.2815 -203925.9053 2754.1328 0.0000 0.0000 52095.0638 -109764.9294 299.3910 -161859.9932 -109411.9533 298.7386 92.5969 114.9631 760831.3684 16.9292 16.7412 PRESSURE: 1396000 97.2598 -84.987 -133.297 -84.987 73.1279 166.923 -133.297 166.922 -17.6002 GPRESSURE: 1396000 47.4362 -37.1952 -64.898 -104.73 198.149 173.376 -37.2685 162.291 -10.2725 PRESSAVG: 1396000 57.0177 -28.612 32.4464 -28.612 -71.7163 73.7315 32.4464 73.7315 -6.42312 GPRESSAVG: 1396000 55.7551 -28.4231 34.8761 -28.1222 -70.9238 72.3611 30.3155 74.4396 -5.92343 TIMING: 1396000 CPU: 4398.64, 0.00314333/step Wall: 4398.64, 0.00314333/step, 3.14682 hours remaining, 237.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1396000 4002.6664 20612.1058 14490.0421 238.0974 -203752.2287 2662.0367 0.0000 0.0000 51954.0249 -109793.2554 298.5805 -161747.2803 -109436.4322 298.8071 50.9292 78.4374 760674.8469 -7.0406 -7.0307 PRESSURE: 1396200 -158.614 77.9141 38.6733 77.9149 27.3041 145.365 38.6729 145.365 -236.902 GPRESSURE: 1396200 -82.4224 139.673 64.6352 139.689 16.872 147.304 122.916 61.1289 -236.177 PRESSAVG: 1396200 -36.1296 -15.0263 25.5 -15.0263 -5.59105 -35.3866 25.5001 -35.3867 2.69441 GPRESSAVG: 1396200 -35.7378 -13.7335 23.1514 -13.5047 -4.40542 -34.3296 25.3631 -35.6761 1.42781 TIMING: 1396200 CPU: 4399.27, 0.00313503/step Wall: 4399.27, 0.00313503/step, 3.13834 hours remaining, 237.917969 MB of memory in use. ENERGY: 1396200 3966.4109 20482.4414 14519.5213 253.5691 -203137.3547 2569.8596 0.0000 0.0000 51568.0628 -109777.4896 296.3624 -161345.5524 -109424.1426 298.4213 -122.7373 -100.5757 763109.0878 -13.0087 -12.9051 LDB: ============= START OF LOAD BALANCING ============== 4411.67 LDB: ============== END OF LOAD BALANCING =============== 4411.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4411.67 LDB: ============= START OF LOAD BALANCING ============== 4411.99 LDB: Largest compute 7031 load 0.031545 is 16.1% of average load 0.195987 LDB: Average compute 0.004370 is 2.2% of average load 0.195987 LDB: TIME 4411.99 LOAD: AVG 0.195987 MAX 0.214635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.633 MB LDB: TIME 4411.99 LOAD: AVG 0.195987 MAX 0.214635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: TIME 4411.99 LOAD: AVG 0.195987 MAX 0.214635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: ============== END OF LOAD BALANCING =============== 4411.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4412 PRESSURE: 1396400 -417.174 -65.7371 52.5424 -65.737 125.548 15.1317 52.5423 15.1311 -306.282 GPRESSURE: 1396400 -373.98 -69.0768 12.4224 -122.444 134.858 -2.04151 -130.571 117.735 -276.932 PRESSAVG: 1396400 -10.5934 -7.53904 -5.92552 -7.53899 35.5358 -43.1891 -5.92555 -43.1892 -15.6255 GPRESSAVG: 1396400 -10.0872 -7.46231 -6.79028 -7.31307 33.2566 -41.9449 -5.6339 -42.7604 -13.3302 TIMING: 1396400 CPU: 4399.91, 0.00321649/step Wall: 4399.91, 0.00321649/step, 3.21971 hours remaining, 238.609375 MB of memory in use. ENERGY: 1396400 3996.6794 20448.9972 14466.8690 251.7703 -203109.5706 2213.6706 0.0000 0.0000 51851.2600 -109880.3243 297.9899 -161731.5843 -109528.1601 298.2239 -199.3029 -172.0181 762657.7178 3.1056 3.2797 PRESSURE: 1396600 -97.1338 189.214 -182.632 189.216 -318.403 79.4625 -182.633 79.4629 -351.763 GPRESSURE: 1396600 -56.0367 102.085 -170.679 134.9 -258.585 76.5515 -112.803 8.03958 -354.159 PRESSAVG: 1396600 -45.7748 -3.58842 -11.4592 -3.58838 5.76961 -9.66431 -11.4592 -9.66429 -4.1701 GPRESSAVG: 1396600 -46.0266 -5.71093 -10.5317 -4.10928 7.77842 -11.0387 -14.1928 -8.71604 -6.08779 TIMING: 1396600 CPU: 4400.55, 0.0031647/step Wall: 4400.55, 0.0031647/step, 3.16769 hours remaining, 238.960938 MB of memory in use. ENERGY: 1396600 3911.6751 20567.3403 14440.2690 245.0648 -203212.4374 2441.1223 0.0000 0.0000 51818.6309 -109788.3349 297.8024 -161606.9658 -109434.4193 298.5723 -255.7667 -222.9269 763053.1019 -14.7251 -14.7786 PRESSURE: 1396800 -171.519 -0.559562 -128.3 -0.561019 -131.704 15.7085 -128.299 15.7086 305.575 GPRESSURE: 1396800 -62.1818 68.9942 -45.1055 90.688 -160.729 -43.3132 -172.065 102.621 284.315 PRESSAVG: 1396800 21.7147 30.2582 -59.6165 30.2583 -48.9318 -5.36298 -59.6165 -5.36304 -19.2018 GPRESSAVG: 1396800 21.3894 33.4623 -59.6093 28.9047 -49.4967 -4.08345 -57.1944 -5.17308 -18.7301 TIMING: 1396800 CPU: 4401.18, 0.00315032/step Wall: 4401.18, 0.00315032/step, 3.15312 hours remaining, 239.164062 MB of memory in use. ENERGY: 1396800 3975.1831 20596.2971 14462.6014 244.2318 -203379.6048 2575.3671 0.0000 0.0000 51886.7314 -109639.1930 298.1938 -161525.9244 -109274.2808 298.6643 0.7841 20.4679 762534.3747 -15.4729 -15.6124 PRESSURE: 1397000 104.992 -37.2031 95.3881 -37.2047 -65.3087 125.045 95.3884 125.046 -39.6558 GPRESSURE: 1397000 111.228 -117.776 56.7443 -34.9754 -36.8145 76.4763 156.185 86.1038 -4.19657 PRESSAVG: 1397000 77.2175 -38.0724 -20.2224 -38.0724 -26.6766 8.85641 -20.2224 8.85636 9.1846 GPRESSAVG: 1397000 77.2164 -41.6324 -21.6047 -35.9536 -27.3362 9.06259 -18.6901 6.75473 9.52033 TIMING: 1397000 CPU: 4401.81, 0.00314855/step Wall: 4401.81, 0.00314855/step, 3.15117 hours remaining, 239.164062 MB of memory in use. ENERGY: 1397000 3949.3948 20505.0913 14382.5342 260.5253 -203677.2483 2540.3213 0.0000 0.0000 52193.1899 -109846.1914 299.9550 -162039.3813 -109494.3923 298.5199 0.0091 23.4058 761694.1419 19.9085 19.8002 PRESSURE: 1397200 -159.509 6.10124 -140.569 6.10133 17.3685 -141.25 -140.569 -141.25 439.446 GPRESSURE: 1397200 -16.6901 -39.9932 -122.256 -90.6533 61.0434 -77.2301 -22.9998 2.18345 322.682 PRESSAVG: 1397200 1.5036 -51.1791 -18.068 -51.1791 7.59681 14.2971 -18.0679 14.2972 16.5492 GPRESSAVG: 1397200 2.26027 -51.7519 -16.2362 -52.1571 7.8392 13.8174 -18.9238 14.9199 15.4908 TIMING: 1397200 CPU: 4402.44, 0.00316053/step Wall: 4402.44, 0.00316053/step, 3.16299 hours remaining, 239.164062 MB of memory in use. ENERGY: 1397200 3966.9268 20381.1198 14493.7159 257.6459 -203642.3968 2580.5260 0.0000 0.0000 52217.4972 -109744.9651 300.0947 -161962.4623 -109373.3007 299.1980 99.1017 122.3450 761627.5290 8.5499 8.5301 PRESSURE: 1397400 167.168 79.5367 -16.2692 79.536 -444.655 -410.281 -16.2687 -410.281 -364.3 GPRESSURE: 1397400 109.947 31.8556 -16.5851 45.8246 -303.063 -338.396 -51.6728 -438.415 -345.901 PRESSAVG: 1397400 31.3849 -10.6139 20.2848 -10.6139 12.5789 -22.9473 20.2848 -22.9473 8.63196 GPRESSAVG: 1397400 31.4442 -7.32782 19.137 -12.7666 11.7486 -22.2663 20.882 -23.64 9.67529 TIMING: 1397400 CPU: 4403.07, 0.00314589/step Wall: 4403.07, 0.00314589/step, 3.14816 hours remaining, 239.164062 MB of memory in use. ENERGY: 1397400 3969.6297 20642.2487 14464.3243 242.8360 -203610.8173 2552.8995 0.0000 0.0000 51861.8747 -109877.0043 298.0509 -161738.8790 -109518.0672 298.6888 -213.9292 -179.6724 761212.2153 17.5319 17.6227 PRESSURE: 1397600 175.091 -135.402 -127.084 -135.402 35.0529 -113.035 -127.085 -113.035 291.688 GPRESSURE: 1397600 161.874 -64.6312 -103.513 -57.2075 124.417 -141.534 0.589275 -113.514 293.007 PRESSAVG: 1397600 56.1519 -42.1987 -39.6179 -42.1986 -46.1988 -36.3811 -39.6178 -36.3811 -17.2449 GPRESSAVG: 1397600 57.2436 -44.5196 -38.1618 -38.7213 -46.1033 -35.0319 -40.1145 -35.4125 -18.2522 TIMING: 1397600 CPU: 4403.69, 0.00312608/step Wall: 4403.69, 0.00312608/step, 3.12817 hours remaining, 239.164062 MB of memory in use. ENERGY: 1397600 3942.9023 20386.7077 14456.7082 252.7593 -203971.9974 2810.5831 0.0000 0.0000 52250.5479 -109871.7888 300.2846 -162122.3368 -109501.1461 298.9867 167.2773 193.0992 761302.6898 -2.4306 -2.3707 PRESSURE: 1397800 -277.843 -46.9677 81.8019 -46.9675 -12.0366 148.373 81.8026 148.373 -460.889 GPRESSURE: 1397800 -169.846 -94.2944 81.5838 -61.4683 34.4927 43.9244 3.9219 269.212 -506.356 PRESSAVG: 1397800 -3.57948 -48.4742 28.3753 -48.4742 -5.0147 -13.1593 28.3753 -13.1593 2.22782 GPRESSAVG: 1397800 -5.3882 -48.7785 27.1972 -49.8794 -4.24925 -16.5607 29.3176 -11.8484 3.35853 TIMING: 1397800 CPU: 4404.32, 0.00314298/step Wall: 4404.32, 0.00314298/step, 3.1449 hours remaining, 239.164062 MB of memory in use. ENERGY: 1397800 3972.6978 20522.7738 14457.6071 239.7979 -203366.3985 2483.9848 0.0000 0.0000 52020.0424 -109669.4947 298.9599 -161689.5371 -109295.3936 298.4102 -250.2562 -213.9030 761992.9885 -2.1221 -2.0930 PRESSURE: 1398000 39.6262 -82.0686 -71.7143 -82.0686 -150.28 -157.8 -71.714 -157.799 -324.509 GPRESSURE: 1398000 148.83 -40.7436 -86.2175 -8.86351 -211.825 -150.163 -71.1262 -221.105 -293.637 PRESSAVG: 1398000 1.7101 -48.7014 3.826 -48.7014 0.729831 -2.60754 3.82601 -2.60741 -22.6927 GPRESSAVG: 1398000 2.93366 -47.6542 5.28588 -48.3317 0.440706 -2.02983 2.66773 -4.74984 -23.2358 TIMING: 1398000 CPU: 4404.95, 0.00313582/step Wall: 4404.95, 0.00313582/step, 3.13756 hours remaining, 239.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1398000 3949.0187 20553.7092 14439.9632 247.3518 -203329.7321 2430.3814 0.0000 0.0000 52030.8672 -109678.4406 299.0221 -161709.3078 -109305.2695 298.8410 -145.0543 -118.8774 761170.7396 -6.7509 -6.6205 PRESSURE: 1398200 -84.6649 -218.161 59.8986 -218.161 -148.247 -326.903 59.899 -326.902 -108.242 GPRESSURE: 1398200 16.6871 -169.107 92.449 -312.853 -141.292 -237.824 34.0931 -257.934 -128.615 PRESSAVG: 1398200 18.3626 -44.9806 -6.39075 -44.9806 -21.2692 -95.9426 -6.39077 -95.9426 -4.97144 GPRESSAVG: 1398200 18.1488 -46.1167 -5.81499 -45.7159 -22.5667 -94.2485 -8.65021 -95.9136 -3.87897 TIMING: 1398200 CPU: 4405.58, 0.00315141/step Wall: 4405.58, 0.00315141/step, 3.15299 hours remaining, 239.164062 MB of memory in use. ENERGY: 1398200 3966.9882 20797.5762 14467.4472 263.6476 -203583.6909 2562.8519 0.0000 0.0000 51730.7911 -109794.3888 297.2976 -161525.1798 -109446.3408 299.0511 -113.7180 -84.4065 761249.7750 -2.6260 -2.7656 PRESSURE: 1398400 -90.909 41.3063 -331.113 41.3051 -180.489 -137.209 -331.113 -137.21 -65.7734 GPRESSURE: 1398400 -106.011 19.3213 -324.561 0.884179 -122.169 -42.9947 -193.513 -175.684 -18.7878 PRESSAVG: 1398400 9.33645 -68.6073 -24.6545 -68.6073 -6.06157 -46.4141 -24.6545 -46.4141 27.7375 GPRESSAVG: 1398400 9.51149 -65.6554 -26.9404 -69.5857 -5.41905 -47.5249 -22.1164 -45.8862 26.7648 TIMING: 1398400 CPU: 4406.21, 0.00313511/step Wall: 4406.21, 0.00313511/step, 3.13651 hours remaining, 239.164062 MB of memory in use. ENERGY: 1398400 4013.9827 20578.3131 14419.3585 238.6883 -203386.6454 2458.6832 0.0000 0.0000 51915.3197 -109762.2999 298.3581 -161677.6196 -109398.3149 298.4581 -112.3904 -82.3225 760581.4256 10.3375 10.2857 PRESSURE: 1398600 173.571 -445.215 82.5953 -445.215 320.552 38.4195 82.5942 38.4182 640.598 GPRESSURE: 1398600 224.393 -564.056 82.439 -305.66 395.813 37.1412 -46.7788 -8.6748 590.633 PRESSAVG: 1398600 10.7285 -33.9478 -16.2328 -33.9478 -41.0553 -85.7002 -16.2327 -85.7002 -6.57295 GPRESSAVG: 1398600 10.4835 -37.9727 -15.7898 -31.4922 -40.198 -86.4237 -16.0064 -85.388 -6.97127 TIMING: 1398600 CPU: 4406.83, 0.00314098/step Wall: 4406.83, 0.00314098/step, 3.1422 hours remaining, 239.164062 MB of memory in use. ENERGY: 1398600 3894.3396 20497.1051 14439.7981 239.2119 -203608.6030 2715.6922 0.0000 0.0000 52165.2036 -109657.2526 299.7941 -161822.4562 -109299.3908 298.8844 378.2405 403.6131 762128.3443 -12.2999 -12.2286 PRESSURE: 1398800 -220.037 -43.1779 -50.9657 -43.1779 -204.629 -61.141 -50.9651 -61.1396 222.08 GPRESSURE: 1398800 -157.972 14.6255 -59.7108 -124.654 -177.059 -39.825 -95.6658 -165.937 220.324 PRESSAVG: 1398800 -36.3042 -115.303 -24.9107 -115.303 42.8506 -48.8081 -24.9107 -48.8081 0.775557 GPRESSAVG: 1398800 -35.7669 -113.675 -23.194 -115.804 42.2881 -49.1141 -24.1359 -51.6091 0.858385 TIMING: 1398800 CPU: 4407.46, 0.00313763/step Wall: 4407.46, 0.00313763/step, 3.13868 hours remaining, 239.164062 MB of memory in use. ENERGY: 1398800 3953.1993 20447.4599 14478.5836 248.6824 -203381.6955 2547.8034 0.0000 0.0000 51974.2202 -109731.7467 298.6966 -161705.9669 -109366.1972 298.6034 -67.5286 -38.2360 761561.0622 2.4406 2.4599 PRESSURE: 1399000 -479.486 -94.1479 62.2876 -94.1483 -42.2627 -199.948 62.2872 -199.948 -124.963 GPRESSURE: 1399000 -311.896 11.6068 109.535 -29.2503 -94.0273 -226.52 -37.904 -172.792 -163.288 PRESSAVG: 1399000 25.157 -45.0435 -0.856132 -45.0436 -21.4694 -54.3391 -0.856167 -54.3391 6.66945 GPRESSAVG: 1399000 24.4821 -44.9596 -2.60752 -44.6022 -20.9193 -52.4729 -4.08343 -53.7451 7.31952 TIMING: 1399000 CPU: 4408.09, 0.00315303/step Wall: 4408.09, 0.00315303/step, 3.1539 hours remaining, 239.164062 MB of memory in use. ENERGY: 1399000 4014.1005 20411.1903 14470.7200 235.4376 -203095.4917 2229.7862 0.0000 0.0000 52007.4944 -109726.7627 298.8878 -161734.2570 -109364.1014 298.5823 -215.5707 -189.7372 762816.8579 3.4523 3.6274 PRESSURE: 1399200 184.956 211.393 152.632 211.393 -141.132 -54.7902 152.632 -54.7902 -268.117 GPRESSURE: 1399200 139.116 180.612 310.868 141.852 -153.687 20.3753 154.667 -76.4103 -124.858 PRESSAVG: 1399200 -38.5651 -71.148 -12.9213 -71.148 9.0066 -31.8408 -12.9213 -31.8408 4.64767 GPRESSAVG: 1399200 -37.6655 -71.7638 -11.8249 -72.3243 7.97116 -32.0086 -10.6635 -29.2175 4.30728 TIMING: 1399200 CPU: 4408.73, 0.00316641/step Wall: 4408.73, 0.00316641/step, 3.16712 hours remaining, 239.164062 MB of memory in use. ENERGY: 1399200 3945.0649 20559.5956 14422.4172 253.1443 -203230.4487 2480.5382 0.0000 0.0000 51945.0739 -109624.6146 298.5291 -161569.6885 -109265.8530 298.8374 -74.7646 -46.4763 761276.9074 -8.3036 -8.4623 PRESSURE: 1399400 169.25 -158.568 -279.186 -158.567 129.397 119.659 -279.186 119.659 -52.4504 GPRESSURE: 1399400 212.66 -202.034 -213.021 -111.234 160.777 68.0142 -249.799 161.784 -41.0254 PRESSAVG: 1399400 -33.1786 -6.15811 35.8887 -6.15813 -51.3241 42.6812 35.8887 42.6813 -2.00313 GPRESSAVG: 1399400 -32.8728 -4.70833 36.0158 -5.19468 -50.8811 40.7312 35.0039 41.9357 -2.43657 TIMING: 1399400 CPU: 4409.36, 0.00315398/step Wall: 4409.36, 0.00315398/step, 3.1545 hours remaining, 239.164062 MB of memory in use. ENERGY: 1399400 4034.6297 20447.8137 14433.6727 259.4223 -203713.9103 2754.0702 0.0000 0.0000 52404.8707 -109379.4311 301.1715 -161784.3018 -109014.1190 299.3229 82.0655 110.8038 761797.0705 -28.8353 -28.7301 PRESSURE: 1399600 -240.659 139.483 76.1394 139.482 106.245 261.713 76.1385 261.712 -349.297 GPRESSURE: 1399600 -108.253 109.264 58.9876 148.526 154.403 272.551 84.0941 179.318 -437.422 PRESSAVG: 1399600 3.25476 -18.7166 12.2332 -18.7166 11.2259 36.1317 12.2332 36.1317 36.9286 GPRESSAVG: 1399600 2.04067 -18.7587 11.5518 -18.4911 11.8154 36.8527 13.4324 35.9906 36.7846 TIMING: 1399600 CPU: 4409.99, 0.00314452/step Wall: 4409.99, 0.00314452/step, 3.14487 hours remaining, 239.164062 MB of memory in use. ENERGY: 1399600 3986.8736 20505.8363 14492.0518 239.6613 -203065.6581 2439.9315 0.0000 0.0000 51897.6416 -109503.6620 298.2565 -161401.3035 -109144.3301 299.6448 -161.2368 -130.4240 761249.9138 17.1364 16.8802 PRESSURE: 1399800 103.543 -10.5272 80.4718 -10.5268 -263.227 -23.7019 80.4726 -23.7021 -123.239 GPRESSURE: 1399800 86.5643 -74.4211 118.247 -33.2532 -185.402 3.22854 140.181 -0.624059 -105.965 PRESSAVG: 1399800 -55.259 -59.7369 89.4995 -59.737 52.2665 -7.66889 89.4995 -7.66898 -17.897 GPRESSAVG: 1399800 -54.6717 -61.0795 89.5362 -61.6512 52.6 -6.17274 90.0539 -7.83092 -19.1772 TIMING: 1399800 CPU: 4410.61, 0.0031416/step Wall: 4410.61, 0.0031416/step, 3.14178 hours remaining, 239.164062 MB of memory in use. ENERGY: 1399800 3940.4020 20535.3349 14472.8715 239.6708 -203188.7626 2359.7781 0.0000 0.0000 52289.2734 -109351.4319 300.5072 -161640.7053 -108976.0031 299.6656 -94.3076 -68.2677 762105.3846 -6.9632 -7.0830 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400000 -176.303 -254.943 24.3131 -254.943 -350.24 45.4575 24.3142 45.4569 -254.142 GPRESSURE: 1400000 -122.687 -193.76 -32.1709 -259.351 -339.77 26.4897 37.8216 -14.4246 -245.904 PRESSAVG: 1400000 -15.3183 -85.5941 46.6534 -85.594 34.7539 6.47287 46.6535 6.47283 9.36279 GPRESSAVG: 1400000 -15.554 -82.6661 48.1876 -86.6134 34.3994 6.28207 43.5761 6.79217 10.1551 TIMING: 1400000 CPU: 4411.26, 0.00323199/step Wall: 4411.26, 0.00323199/step, 3.23199 hours remaining, 239.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1400000 4006.3804 20442.9801 14440.7439 259.6990 -203544.6527 2578.5271 0.0000 0.0000 52226.8232 -109589.4990 300.1483 -161816.3221 -109220.7806 299.4812 -260.2281 -236.1206 761890.9538 9.5995 9.6668 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 PRESSURE: 1400200 269.078 105.117 -118.264 105.116 -106.676 326.217 -118.264 326.218 -552.213 GPRESSURE: 1400200 177.68 57.2185 -84.3332 20.9578 26.2223 277.844 -190.58 286.333 -497.911 PRESSAVG: 1400200 83.9626 -61.1364 -14.6445 -61.1364 -33.5292 25.8794 -14.6445 25.8794 16.0494 GPRESSAVG: 1400200 83.7562 -62.4036 -16.5159 -58.8251 -34.098 25.6941 -12.9214 26.9459 17.0317 TIMING: 1400200 CPU: 4411.89, 0.00314281/step Wall: 4411.89, 0.00314281/step, 3.14264 hours remaining, 239.164062 MB of memory in use. ENERGY: 1400200 3980.4650 20474.9524 14497.0085 249.3694 -203597.4460 2582.9575 0.0000 0.0000 52111.0411 -109701.6522 299.4829 -161812.6933 -109323.5859 299.2319 -129.9371 -98.0032 760808.0124 22.1609 22.2300 LDB: ============= START OF LOAD BALANCING ============== 4424.29 LDB: ============== END OF LOAD BALANCING =============== 4424.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4424.29 LDB: ============= START OF LOAD BALANCING ============== 4424.6 LDB: Largest compute 7034 load 0.031323 is 16.0% of average load 0.195960 LDB: Average compute 0.004373 is 2.2% of average load 0.195960 LDB: TIME 4424.61 LOAD: AVG 0.19596 MAX 0.21405 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.43 MB LDB: TIME 4424.61 LOAD: AVG 0.19596 MAX 0.21405 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.637 MB LDB: TIME 4424.61 LOAD: AVG 0.19596 MAX 0.21405 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.637 MB LDB: ============== END OF LOAD BALANCING =============== 4424.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4424.61 PRESSURE: 1400400 106.215 261.413 110.334 261.413 -53.7731 -287.454 110.334 -287.453 -591.192 GPRESSURE: 1400400 159.598 184.291 72.4952 303.086 -88.4239 -285.643 189.186 -220.714 -531.383 PRESSAVG: 1400400 49.9323 20.0286 17.5518 20.0286 -9.46615 14.113 17.5517 14.113 0.546965 GPRESSAVG: 1400400 48.936 17.2516 16.9712 21.3748 -8.66467 13.8681 17.4195 12.5989 0.385063 TIMING: 1400400 CPU: 4412.53, 0.00320758/step Wall: 4412.53, 0.00320759/step, 3.20723 hours remaining, 237.839844 MB of memory in use. ENERGY: 1400400 3989.0746 20599.5477 14484.0652 233.9906 -203518.5107 2632.3785 0.0000 0.0000 51935.6714 -109643.7828 298.4750 -161579.4542 -109287.2082 298.8189 -179.5836 -153.4032 760591.7842 13.6710 13.5521 PRESSURE: 1400600 -100.7 -239.266 -174.906 -239.267 351.717 135.171 -174.908 135.17 29.0326 GPRESSURE: 1400600 -64.1067 -114.299 -202.952 -287.165 331.705 185.823 -69.6441 58.6437 90.1115 PRESSAVG: 1400600 -24.6466 -29.3869 -27.1403 -29.3869 5.42992 14.211 -27.1402 14.2111 -0.819272 GPRESSAVG: 1400600 -23.6207 -28.2425 -27.2473 -31.0929 4.98581 14.0663 -24.4805 12.6633 -1.06949 TIMING: 1400600 CPU: 4413.16, 0.00313439/step Wall: 4413.16, 0.00313439/step, 3.13387 hours remaining, 237.839844 MB of memory in use. ENERGY: 1400600 3988.9143 20442.0340 14531.4812 253.2689 -203142.7192 2343.9088 0.0000 0.0000 51971.4998 -109611.6121 298.6809 -161583.1120 -109248.4296 299.3858 93.3496 119.2366 761170.5770 -6.6787 -6.5681 PRESSURE: 1400800 -124.829 19.4305 -68.6714 19.4302 -145.766 -291.967 -68.671 -291.968 -222.103 GPRESSURE: 1400800 -97.5962 -68.9176 -54.5037 26.567 -201.621 -316.726 -119.982 -337.809 -120.35 PRESSAVG: 1400800 43.1952 -10.4313 -43.7184 -10.4314 -19.0977 26.7484 -43.7184 26.7485 36.8242 GPRESSAVG: 1400800 42.2572 -10.7625 -42.4082 -10.613 -19.113 25.8413 -46.9172 29.4948 36.7782 TIMING: 1400800 CPU: 4413.79, 0.00314712/step Wall: 4413.79, 0.00314712/step, 3.14642 hours remaining, 237.839844 MB of memory in use. ENERGY: 1400800 3964.6045 20426.0857 14417.1042 232.2701 -202346.6692 1918.1480 0.0000 0.0000 51876.4600 -109511.9966 298.1347 -161388.4566 -109141.5980 298.7544 -164.2328 -139.8557 761464.6221 20.3072 19.9741 PRESSURE: 1401000 126.97 -292.069 120.943 -292.069 -390.846 150.004 120.943 150.004 -6.76358 GPRESSURE: 1401000 80.3279 -292.031 9.54898 -181.664 -236.526 130.492 128.661 119.263 -32.0673 PRESSAVG: 1401000 3.10944 -76.8569 32.6517 -76.857 36.3715 33.7711 32.6518 33.7711 11.097 GPRESSAVG: 1401000 4.1851 -77.9215 33.2294 -77.3511 36.7258 35.364 34.9141 33.3611 9.52116 TIMING: 1401000 CPU: 4414.42, 0.00315984/step Wall: 4414.42, 0.00315984/step, 3.15896 hours remaining, 237.839844 MB of memory in use. ENERGY: 1401000 4039.8820 20429.0955 14440.0375 249.8588 -202728.3151 2016.5512 0.0000 0.0000 51971.2170 -109581.6730 298.6793 -161552.8900 -109218.2361 298.6475 -90.2131 -62.7551 762938.1237 16.8593 16.8107 PRESSURE: 1401200 -69.7361 11.2425 354.019 11.2421 -83.938 -50.0908 354.018 -50.0905 -169.404 GPRESSURE: 1401200 -79.6072 -61.5677 326.845 82.426 1.8272 28.6314 355.467 -142.807 -185.663 PRESSAVG: 1401200 14.1179 -78.8562 11.2538 -78.8562 -8.39907 37.612 11.2538 37.612 -4.09085 GPRESSAVG: 1401200 13.708 -76.9171 10.0225 -78.3007 -8.77038 37.4371 11.5571 35.2822 -3.23858 TIMING: 1401200 CPU: 4415.05, 0.00313387/step Wall: 4415.05, 0.00313387/step, 3.13282 hours remaining, 237.839844 MB of memory in use. ENERGY: 1401200 3972.7158 20438.3673 14390.5229 245.9412 -203512.9453 2625.9085 0.0000 0.0000 52267.8669 -109571.6227 300.3841 -161839.4897 -109201.0042 298.9672 -107.6928 -87.8144 760876.7908 0.5426 0.5663 PRESSURE: 1401400 36.3971 9.05512 -78.7611 9.05514 -328.943 101.025 -78.7613 101.026 320.04 GPRESSURE: 1401400 9.22856 40.7655 -139.898 -13.7233 -245.027 84.0782 -101.242 153.356 363.77 PRESSAVG: 1401400 -21.2571 -15.1776 64.6368 -15.1776 -4.42434 0.799337 64.6367 0.799311 31.6942 GPRESSAVG: 1401400 -21.4145 -15.8793 64.7988 -12.5913 -4.31244 0.624377 61.8025 1.25923 32.0302 TIMING: 1401400 CPU: 4415.67, 0.00313779/step Wall: 4415.67, 0.00313779/step, 3.13657 hours remaining, 237.839844 MB of memory in use. ENERGY: 1401400 4004.6744 20508.5078 14465.1099 277.0111 -203405.6810 2528.7593 0.0000 0.0000 52169.9266 -109451.6919 299.8213 -161621.6185 -109085.9954 298.9458 9.1648 42.6574 761894.6233 2.0043 2.1011 PRESSURE: 1401600 -53.3465 63.2006 -79.4162 63.2006 -339.54 -60.0983 -79.416 -60.0979 -92.039 GPRESSURE: 1401600 -29.5604 29.0713 -106.005 -17.6931 -313.748 -2.78639 -100.575 5.56475 -61.1002 PRESSAVG: 1401600 77.5982 -55.5899 -5.11521 -55.59 -56.1729 -0.166872 -5.1152 -0.166844 -17.8942 GPRESSAVG: 1401600 78.1619 -54.6061 -2.61927 -56.5602 -56.5271 0.236384 -5.30495 0.440548 -18.2048 TIMING: 1401600 CPU: 4416.3, 0.00314944/step Wall: 4416.3, 0.00314944/step, 3.14804 hours remaining, 237.839844 MB of memory in use. ENERGY: 1401600 4044.7467 20546.1165 14456.6845 251.6910 -203136.9150 2363.5126 0.0000 0.0000 51836.0267 -109638.1369 297.9024 -161474.1636 -109276.8428 299.6216 -161.6417 -134.8029 761730.6422 1.1770 1.1433 PRESSURE: 1401800 -7.44118 -140.663 -87.7364 -140.664 -450.735 -15.7939 -87.7364 -15.794 -268.826 GPRESSURE: 1401800 -33.5642 -162.382 -116.013 -133.491 -357.123 -25.0051 -35.6642 22.546 -242.213 PRESSAVG: 1401800 12.9123 -39.9943 9.57867 -39.9943 -1.28548 30.772 9.57869 30.7721 -7.15642 GPRESSAVG: 1401800 12.5096 -41.4553 6.86915 -40.8891 -1.77871 30.9868 11.7004 32.3599 -5.89568 TIMING: 1401800 CPU: 4416.93, 0.00315077/step Wall: 4416.93, 0.00315077/step, 3.1492 hours remaining, 237.839844 MB of memory in use. ENERGY: 1401800 3952.9274 20341.8812 14408.5684 228.1233 -203161.3814 2562.4737 0.0000 0.0000 52046.6598 -109620.7477 299.1129 -161667.4075 -109249.9834 299.3092 -242.3341 -210.9667 762576.2521 1.4901 1.6117 PRESSURE: 1402000 -314.537 264.305 19.7294 264.306 -344.098 81.0686 19.7296 81.0673 -160.75 GPRESSURE: 1402000 -337.787 199.837 29.8524 274.566 -289.517 68.4631 -121.62 97.692 -89.8992 PRESSAVG: 1402000 71.6473 -16.8225 -10.1347 -16.8227 -20.3594 22.7339 -10.1347 22.7339 21.3226 GPRESSAVG: 1402000 72.4197 -15.8251 -10.4503 -16.7724 -20.6511 22.5548 -9.71405 21.4884 21.083 TIMING: 1402000 CPU: 4417.56, 0.00313864/step Wall: 4417.56, 0.00313864/step, 3.1369 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1402000 4025.5028 20393.6029 14357.6193 275.8728 -203065.0299 2450.2255 0.0000 0.0000 52006.5483 -109555.6584 298.8823 -161562.2067 -109184.3565 299.0554 -273.1283 -239.0679 763063.8726 24.2035 24.2838 PRESSURE: 1402200 -5.78145 53.1783 -113.848 53.178 -539.995 128.197 -113.848 128.198 174.687 GPRESSURE: 1402200 -65.223 33.6758 -132.416 52.2747 -401.892 158.812 -45.0639 158.46 177.411 PRESSAVG: 1402200 -20.1604 21.6077 10.2245 21.6076 4.02828 -1.29858 10.2246 -1.29861 20.6951 GPRESSAVG: 1402200 -21.5294 20.0312 10.3038 23.7339 5.10736 -1.41256 9.25065 -0.834256 20.3686 TIMING: 1402200 CPU: 4418.19, 0.00314755/step Wall: 4418.19, 0.00314755/step, 3.14563 hours remaining, 237.839844 MB of memory in use. ENERGY: 1402200 4013.4863 20483.8908 14414.9170 239.0854 -202858.3892 2125.8159 0.0000 0.0000 52067.7062 -109513.4876 299.2338 -161581.1938 -109146.6928 299.2727 -123.6965 -96.5682 762551.2507 1.5210 1.3155 PRESSURE: 1402400 -619.643 -38.2784 263.154 -38.2777 -494.052 147.247 263.153 147.246 -287.967 GPRESSURE: 1402400 -542.383 -11.2462 223.524 -49.6563 -503.794 117.406 237.314 -65.0971 -248.443 PRESSAVG: 1402400 -1.56781 42.0387 14.1061 42.0388 12.6124 21.1744 14.1061 21.1744 -19.2085 GPRESSAVG: 1402400 -0.088043 42.9809 13.6247 39.6817 11.7298 22.7478 14.3561 20.6897 -19.6489 TIMING: 1402400 CPU: 4418.82, 0.00314752/step Wall: 4418.82, 0.00314752/step, 3.14542 hours remaining, 237.839844 MB of memory in use. ENERGY: 1402400 3992.6239 20285.4421 14400.9629 251.1882 -202763.1518 2180.0984 0.0000 0.0000 51838.7188 -109814.1175 297.9178 -161652.8363 -109444.4590 298.7021 -467.2206 -431.5400 763003.6130 -2.7213 -2.6691 PRESSURE: 1402600 503.127 -206.906 199.213 -206.907 25.2199 -100.912 199.214 -100.912 -97.1329 GPRESSURE: 1402600 408.938 -153.68 176.448 -194.219 164.028 -28.8096 95.3503 -42.6914 -55.0215 PRESSAVG: 1402600 -0.669273 -43.943 46.0241 -43.943 -32.175 27.4017 46.0241 27.4017 -16.571 GPRESSAVG: 1402600 -2.42873 -43.8593 46.4408 -43.2501 -31.8137 27.1122 45.5369 28.2594 -15.4668 TIMING: 1402600 CPU: 4419.45, 0.00313667/step Wall: 4419.45, 0.00313667/step, 3.13441 hours remaining, 237.839844 MB of memory in use. ENERGY: 1402600 4019.5387 20516.2345 14448.1959 249.2335 -203776.1134 2594.4042 0.0000 0.0000 51996.9451 -109951.5613 298.8272 -161948.5065 -109597.3415 298.1817 143.7379 172.6482 759313.5339 -16.4717 -16.5697 PRESSURE: 1402800 58.8063 -305.488 5.93069 -305.489 11.6983 43.0225 5.9303 43.0222 -203.785 GPRESSURE: 1402800 84.9451 -148.285 -30.6493 -312.018 35.2395 6.33881 43.6762 -38.8516 -170.192 PRESSAVG: 1402800 21.4819 -76.1899 6.01137 -76.19 -29.8585 22.925 6.01139 22.925 6.82582 GPRESSAVG: 1402800 23.1342 -74.7484 6.16385 -78.2696 -30.6066 23.1944 8.25763 22.5234 5.42786 TIMING: 1402800 CPU: 4420.08, 0.00315441/step Wall: 4420.08, 0.00315441/step, 3.15196 hours remaining, 237.839844 MB of memory in use. ENERGY: 1402800 4014.8819 20432.7915 14416.5793 241.3837 -203593.1465 2494.4320 0.0000 0.0000 51806.6683 -110186.4098 297.7336 -161993.0781 -109821.3422 297.7014 -44.4267 -16.6692 760584.8609 -0.5169 -0.6815 PRESSURE: 1403000 -70.1059 228.494 -0.0562799 228.494 -485.246 -295.375 -0.0565699 -295.375 46.5471 GPRESSURE: 1403000 -88.2188 172.414 -24.1763 176.796 -443.152 -284.214 13.4724 -100.872 106.689 PRESSAVG: 1403000 47.5036 -31.8089 -5.20651 -31.8088 -35.9844 34.4809 -5.20643 34.4809 3.67441 GPRESSAVG: 1403000 45.902 -30.9637 -5.26209 -32.3242 -35.798 34.4079 -6.99665 34.7511 4.5913 TIMING: 1403000 CPU: 4420.71, 0.00316028/step Wall: 4420.71, 0.00316028/step, 3.15765 hours remaining, 237.839844 MB of memory in use. ENERGY: 1403000 3991.4202 20411.7699 14385.1396 220.8844 -203757.3117 2558.2775 0.0000 0.0000 51997.9380 -110191.8822 298.8329 -162189.8201 -109828.2729 298.0105 -169.6016 -141.5604 762344.2290 5.0645 4.8984 PRESSURE: 1403200 144.578 130.734 56.6464 130.733 40.9712 -352.941 56.6464 -352.94 192.679 GPRESSURE: 1403200 133.902 177.422 63.763 104.158 139.726 -371.378 -34.5141 -235.853 187.859 PRESSAVG: 1403200 25.6633 -23.6133 36.197 -23.6132 -13.9231 -37.9658 36.197 -37.9657 2.11849 GPRESSAVG: 1403200 26.3569 -23.964 36.863 -22.2981 -13.8601 -40.2598 36.0283 -38.4353 1.68957 TIMING: 1403200 CPU: 4421.34, 0.00316136/step Wall: 4421.34, 0.00316136/step, 3.15855 hours remaining, 237.839844 MB of memory in use. ENERGY: 1403200 3981.6122 20492.2137 14415.1896 249.3895 -203625.2516 2687.0547 0.0000 0.0000 51510.7505 -110289.0414 296.0330 -161799.7919 -109941.6428 297.4444 126.0764 153.8291 761915.1913 4.6196 4.7288 PRESSURE: 1403400 -512.13 142.921 90.2627 142.922 -251.565 -99.483 90.2621 -99.4833 -190.315 GPRESSURE: 1403400 -512.368 -44.243 128.224 181.503 -140.451 -195.431 90.8215 14.7686 -226.189 PRESSAVG: 1403400 -9.42888 -39.3328 -22.8163 -39.3329 40.4198 -26.5775 -22.8162 -26.5774 -1.08072 GPRESSAVG: 1403400 -8.4296 -39.9 -23.4345 -38.5117 39.1671 -26.4206 -21.5965 -25.2524 -0.544222 TIMING: 1403400 CPU: 4421.98, 0.00316416/step Wall: 4421.98, 0.00316416/step, 3.16117 hours remaining, 237.839844 MB of memory in use. ENERGY: 1403400 4013.8591 20453.1355 14363.2656 231.7796 -203554.0292 2339.4181 0.0000 0.0000 51974.8932 -110177.6781 298.7004 -162152.5713 -109813.5940 297.4131 -318.0036 -293.0026 760893.9218 9.9701 10.0644 PRESSURE: 1403600 63.1656 17.0582 336.893 17.0574 -281.585 -8.50998 336.892 -8.50974 181.348 GPRESSURE: 1403600 28.9577 -61.437 325.552 36.4451 -214.954 -14.1191 282.403 -45.7989 223.786 PRESSAVG: 1403600 -47.1082 -23.3865 -16.5913 -23.3864 -21.01 13.0253 -16.5914 13.0253 -3.90021 GPRESSAVG: 1403600 -47.8195 -25.4931 -16.0759 -23.0941 -20.0137 14.2203 -17.9305 11.4704 -4.38663 TIMING: 1403600 CPU: 4422.61, 0.00316417/step Wall: 4422.61, 0.00316417/step, 3.161 hours remaining, 237.839844 MB of memory in use. ENERGY: 1403600 3928.5419 20513.9239 14368.5214 244.3297 -203500.9827 2533.6937 0.0000 0.0000 51720.0479 -110191.9241 297.2358 -161911.9720 -109828.9317 297.5901 -12.3570 12.5965 762849.6125 -24.0061 -24.0733 PRESSURE: 1403800 21.6277 -214.151 48.0785 -214.152 -172.401 12.9253 48.0788 12.9262 -291.901 GPRESSURE: 1403800 73.518 -239.309 24.119 -91.8575 -209.086 -19.4977 -37.561 37.1979 -235.986 PRESSAVG: 1403800 10.0714 3.21398 7.8921 3.21398 -16.388 -4.38554 7.89214 -4.38556 -18.6909 GPRESSAVG: 1403800 9.77735 4.66295 10.1298 4.33083 -15.3884 -4.37571 7.13045 -4.02681 -18.9261 TIMING: 1403800 CPU: 4423.24, 0.0031518/step Wall: 4423.24, 0.0031518/step, 3.14848 hours remaining, 237.839844 MB of memory in use. ENERGY: 1403800 3927.4949 20396.4835 14418.5374 261.6074 -203673.5481 2592.5895 0.0000 0.0000 52007.1394 -110069.6959 298.8857 -162076.8353 -109707.1048 298.0146 -147.5579 -123.8515 761974.9864 -8.3358 -8.1790 PRESSURE: 1404000 -85.2061 74.0004 -79.4204 74.0005 357.225 7.89448 -79.4203 7.89428 -295.214 GPRESSURE: 1404000 -35.9795 109.63 12.3875 70.26 381.615 -8.09701 -33.1705 -25.5705 -296.496 PRESSAVG: 1404000 59.5548 -36.1595 4.26872 -36.1595 -61.6225 61.5756 4.26863 61.5757 3.17639 GPRESSAVG: 1404000 59.8364 -37.8262 1.11541 -35.3276 -62.2573 60.8553 5.34982 61.4532 3.16873 TIMING: 1404000 CPU: 4423.87, 0.00316073/step Wall: 4423.87, 0.00316073/step, 3.15721 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1404000 4033.5952 20507.9203 14383.7727 218.6772 -203515.2316 2538.9029 0.0000 0.0000 51870.4928 -109961.8704 298.1004 -161832.3632 -109595.7385 298.3036 -7.7317 16.3798 761259.6229 0.3696 0.2493 PRESSURE: 1404200 -32.3705 10.2539 79.6732 10.2535 -505.713 -5.5527 79.6735 -5.55353 -193.842 GPRESSURE: 1404200 12.9518 -23.7885 91.3808 12.0301 -397.898 -14.7839 -163.911 -90.706 -283.299 PRESSAVG: 1404200 -19.2715 10.4374 -1.28048 10.4375 -6.53764 8.08359 -1.28048 8.08363 4.97816 GPRESSAVG: 1404200 -19.7288 12.2854 -1.05854 8.10204 -6.30918 8.05574 -2.05038 7.45371 5.08487 TIMING: 1404200 CPU: 4424.51, 0.00317658/step Wall: 4424.51, 0.00317658/step, 3.17287 hours remaining, 237.839844 MB of memory in use. ENERGY: 1404200 3983.4314 20513.6767 14348.7090 245.5939 -203863.5551 2728.4326 0.0000 0.0000 52073.0917 -109970.6198 299.2648 -162043.7115 -109608.2795 298.7667 -243.9751 -222.7484 762356.3937 -6.9437 -6.9844 LDB: ============= START OF LOAD BALANCING ============== 4436.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4436.9 LDB: =============== DONE WITH MIGRATION ================ 4436.91 LDB: ============= START OF LOAD BALANCING ============== 4437.22 LDB: Largest compute 7031 load 0.033016 is 16.9% of average load 0.195928 LDB: Average compute 0.004355 is 2.2% of average load 0.195928 LDB: TIME 4437.22 LOAD: AVG 0.195928 MAX 0.217903 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.539 MB LDB: TIME 4437.22 LOAD: AVG 0.195928 MAX 0.217903 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.746 MB LDB: TIME 4437.22 LOAD: AVG 0.195928 MAX 0.217903 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.746 MB LDB: ============== END OF LOAD BALANCING =============== 4437.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4437.23 PRESSURE: 1404400 179.601 -94.8192 -130.333 -94.8195 -277.691 55.1085 -130.333 55.1086 263.393 GPRESSURE: 1404400 182.276 -65.3823 -85.763 -142.877 -176.375 113.124 -181.744 96.0315 267.242 PRESSAVG: 1404400 -7.1441 -59.2665 27.5901 -59.2665 -10.8267 -55.8668 27.5902 -55.8668 11.0717 GPRESSAVG: 1404400 -8.88311 -59.5314 27.094 -59.738 -10.027 -56.578 26.3969 -53.9891 12.0601 TIMING: 1404400 CPU: 4425.15, 0.00320659/step Wall: 4425.15, 0.00320659/step, 3.20267 hours remaining, 238.796875 MB of memory in use. ENERGY: 1404400 3991.3144 20509.8354 14359.7686 242.4043 -203628.2032 2684.8781 0.0000 0.0000 52052.0258 -109787.9766 299.1437 -161840.0024 -109427.8150 298.7848 55.1010 91.0475 761360.0888 -2.2997 -2.2833 PRESSURE: 1404600 -426.781 165.311 3.15274 165.311 156.022 51.4702 3.15225 51.4705 -201.862 GPRESSURE: 1404600 -372.774 110.125 -36.0304 202.418 167.011 14.0629 150.039 -12.8317 -171.973 PRESSAVG: 1404600 10.6214 0.590913 -2.94484 0.590897 -8.00924 11.8509 -2.94489 11.8509 12.5621 GPRESSAVG: 1404600 13.1087 1.68894 -2.53278 0.664429 -8.7081 13.0085 -0.442568 11.3514 10.9137 TIMING: 1404600 CPU: 4425.77, 0.00313572/step Wall: 4425.77, 0.00313572/step, 3.13171 hours remaining, 238.796875 MB of memory in use. ENERGY: 1404600 3991.2081 20451.4205 14477.4100 260.4969 -203849.8823 2749.3878 0.0000 0.0000 52050.8372 -109869.1218 299.1369 -161919.9590 -109508.4577 298.8815 -157.5405 -125.9119 760566.5217 5.0581 5.1047 PRESSURE: 1404800 -487.435 -191.681 101.808 -191.68 -472.326 -43.9309 101.808 -43.9306 -185.483 GPRESSURE: 1404800 -426.737 -171.222 103.526 -207.554 -438.261 -31.5632 62.3828 -68.7752 -174.987 PRESSAVG: 1404800 11.8326 -73.4681 26.9994 -73.468 16.9341 24.352 26.9994 24.3521 2.73844 GPRESSAVG: 1404800 11.0809 -73.4674 26.7061 -72.5133 16.1837 24.8959 26.0789 22.4032 4.24034 TIMING: 1404800 CPU: 4426.4, 0.00314283/step Wall: 4426.4, 0.00314283/step, 3.13864 hours remaining, 238.796875 MB of memory in use. ENERGY: 1404800 3965.7996 20470.8308 14405.5140 223.7714 -203338.6280 2516.2459 0.0000 0.0000 51973.5280 -109782.9383 298.6926 -161756.4663 -109411.1061 298.9858 -381.7481 -346.6617 760625.1008 10.5017 10.5017 PRESSURE: 1405000 -555.38 -178.001 -93.0166 -178.002 -278.458 55.5574 -93.0179 55.5574 -221.649 GPRESSURE: 1405000 -566.87 -87.4544 -176.732 -191.271 -237.3 116.447 -19.2272 200.981 -168.698 PRESSAVG: 1405000 -23.1137 -99.3311 41.7289 -99.331 22.7609 -5.10174 41.7289 -5.10171 -1.11981 GPRESSAVG: 1405000 -23.8093 -99.6982 42.8689 -100.143 24.0625 -5.18096 41.0709 -4.11446 -1.41983 TIMING: 1405000 CPU: 4427.03, 0.00315715/step Wall: 4427.03, 0.00315715/step, 3.15276 hours remaining, 238.796875 MB of memory in use. ENERGY: 1405000 4055.1260 20546.7175 14387.0924 230.7470 -202971.8314 2171.1665 0.0000 0.0000 51977.3835 -109603.5986 298.7147 -161580.9821 -109239.7904 299.0566 -351.8291 -324.2895 761123.3062 -0.4908 -0.3889 PRESSURE: 1405200 420.568 150.677 -36.1377 150.677 232.624 0.569772 -36.1371 0.571085 315.193 GPRESSURE: 1405200 440.39 124.428 -70.1876 183.024 273.699 29.7564 29.8032 78.8626 337.772 PRESSAVG: 1405200 1.85426 -18.268 -22.3487 -18.2681 7.91684 23.8733 -22.3486 23.8733 5.43452 GPRESSAVG: 1405200 2.65602 -18.9207 -22.3587 -19.4093 7.05078 22.0855 -22.0018 23.1764 5.20058 TIMING: 1405200 CPU: 4427.66, 0.00314611/step Wall: 4427.66, 0.00314611/step, 3.14156 hours remaining, 238.796875 MB of memory in use. ENERGY: 1405200 3973.1398 20365.2961 14550.7642 256.5282 -203531.1615 2610.2341 0.0000 0.0000 52050.0065 -109725.1926 299.1321 -161775.1991 -109360.4655 298.8274 322.7946 350.6203 757459.5131 5.0685 4.9691 PRESSURE: 1405400 -6.40545 -122.877 -231.474 -122.877 199.848 -128.185 -231.475 -128.186 192.621 GPRESSURE: 1405400 -49.01 -220.068 -210.044 -36.6331 324.835 -18.7878 -239.786 -76.9845 189.235 PRESSAVG: 1405400 -49.2314 -35.5553 -27.9918 -35.5553 61.4825 42.4529 -27.9918 42.4529 2.81772 GPRESSAVG: 1405400 -49.4933 -35.52 -27.0193 -34.9901 61.9257 42.2939 -28.5116 44.8113 2.92807 TIMING: 1405400 CPU: 4428.29, 0.00315125/step Wall: 4428.29, 0.00315125/step, 3.14652 hours remaining, 238.796875 MB of memory in use. ENERGY: 1405400 3925.1449 20578.7760 14420.5305 241.4995 -203635.4462 2770.9092 0.0000 0.0000 51915.9807 -109782.6055 298.3619 -161698.5862 -109423.5488 298.7756 128.6879 155.0200 761624.6746 5.0229 5.1202 PRESSURE: 1405600 62.6891 69.0559 -307.261 69.0562 -41.4551 63.1984 -307.261 63.1985 -194.583 GPRESSURE: 1405600 132.424 70.4005 -295.486 74.3341 56.1875 -0.459619 -200.151 32.0507 -274.079 PRESSAVG: 1405600 2.56055 7.36988 -26.4395 7.36992 6.7008 24.4704 -26.4395 24.4703 -19.5869 GPRESSAVG: 1405600 2.87568 7.70459 -28.0764 7.5459 6.11558 26.5241 -26.468 21.5366 -19.1279 TIMING: 1405600 CPU: 4428.92, 0.00315589/step Wall: 4428.92, 0.00315589/step, 3.15098 hours remaining, 238.796875 MB of memory in use. ENERGY: 1405600 4049.9855 20448.1839 14416.7437 249.9041 -203323.8170 2519.1045 0.0000 0.0000 51876.9498 -109762.9455 298.1375 -161639.8953 -109401.9337 298.2746 -57.7829 -28.4894 760956.8501 -3.4419 -3.3789 PRESSURE: 1405800 -342.229 12.1508 70.3645 12.1513 -65.8695 137.99 70.3653 137.989 -204.029 GPRESSURE: 1405800 -277.245 -49.8519 82.4043 -36.9571 -69.8022 160.442 51.5923 99.4474 -170.51 PRESSAVG: 1405800 -6.89782 -38.2747 5.64821 -38.2748 18.4077 5.15455 5.64815 5.15449 12.4525 GPRESSAVG: 1405800 -6.492 -40.3001 5.27704 -40.0314 18.5408 4.72625 6.38433 3.68362 11.6217 TIMING: 1405800 CPU: 4429.55, 0.0031424/step Wall: 4429.55, 0.0031424/step, 3.13734 hours remaining, 238.796875 MB of memory in use. ENERGY: 1405800 4025.2980 20301.7947 14444.1760 255.2638 -202987.0156 2103.7246 0.0000 0.0000 51923.6569 -109933.1017 298.4060 -161856.7587 -109571.2296 298.5804 -204.0425 -172.5191 762421.8797 7.9875 7.8902 PRESSURE: 1406000 -187.766 125.379 1.03262 125.38 -47.2348 -182.028 1.03239 -182.028 84.9941 GPRESSURE: 1406000 -126.564 48.4258 -29.4711 43.3935 40.1026 -79.302 -31.7165 -141.014 4.68191 PRESSAVG: 1406000 5.55801 -23.4023 74.6211 -23.4023 4.66548 4.3625 74.6212 4.36244 16.7112 GPRESSAVG: 1406000 4.96347 -23.6292 75.7095 -22.4765 4.68355 3.7388 74.3866 6.61909 16.8496 TIMING: 1406000 CPU: 4430.18, 0.00315106/step Wall: 4430.18, 0.00315106/step, 3.14581 hours remaining, 238.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1406000 3967.1054 20395.6863 14395.6951 241.3965 -203356.2765 2474.7084 0.0000 0.0000 52023.4381 -109858.2467 298.9794 -161881.6849 -109493.7027 298.8017 -50.0022 -27.2600 761679.6101 8.9782 8.8322 PRESSURE: 1406200 -65.5321 -111.715 -159.319 -111.715 314.316 11.1327 -159.319 11.1328 31.5784 GPRESSURE: 1406200 -8.40819 -91.3759 -160.475 -213.524 366.552 95.6312 -196.513 54.5415 8.8884 PRESSAVG: 1406200 16.5443 -34.5021 -19.7562 -34.5021 -21.3274 -8.49568 -19.7563 -8.49569 11.5658 GPRESSAVG: 1406200 15.2916 -32.888 -19.7284 -34.7593 -20.735 -9.37488 -20.4112 -7.9305 12.2391 TIMING: 1406200 CPU: 4430.82, 0.00317132/step Wall: 4430.82, 0.00317132/step, 3.16586 hours remaining, 238.796875 MB of memory in use. ENERGY: 1406200 4010.4984 20409.7764 14402.2826 241.1007 -203628.2438 2580.8423 0.0000 0.0000 51991.6808 -109992.0625 298.7969 -161983.7433 -109624.4547 298.6303 93.4542 122.3441 760918.9470 2.2609 2.2652 PRESSURE: 1406400 141.321 16.5305 194.88 16.5307 -93.0949 63.1166 194.88 63.1175 -57.324 GPRESSURE: 1406400 138.381 24.3351 110.25 28.2864 -43.866 105.087 159.305 -53.1435 -18.4598 PRESSAVG: 1406400 25.1008 14.7815 23.5762 14.7816 23.5022 -37.5524 23.5762 -37.5524 -18.6679 GPRESSAVG: 1406400 27.0262 14.0816 25.2848 12.7837 22.076 -37.6231 21.7419 -38.8048 -19.2239 TIMING: 1406400 CPU: 4431.45, 0.0031432/step Wall: 4431.45, 0.0031432/step, 3.13762 hours remaining, 238.796875 MB of memory in use. ENERGY: 1406400 3938.9522 20550.7336 14406.3422 241.8897 -203246.8187 2353.6111 0.0000 0.0000 51911.5036 -109843.7863 298.3361 -161755.2899 -109485.1761 297.8997 -3.0326 25.3518 760621.0402 9.9784 9.9594 PRESSURE: 1406600 286.272 237.344 -107.487 237.343 79.9915 -92.255 -107.487 -92.255 88.4014 GPRESSURE: 1406600 307.348 272.36 -31.2154 208.901 177.076 -60.707 -86.5618 -174.258 61.7941 PRESSAVG: 1406600 -1.42448 -59.4903 -0.344509 -59.4903 -39.5373 -8.75905 -0.344519 -8.75902 -6.79086 GPRESSAVG: 1406600 -2.06914 -60.6361 -2.05201 -56.7974 -37.7792 -7.81394 0.895393 -6.98569 -7.78047 TIMING: 1406600 CPU: 4432.08, 0.00314964/step Wall: 4432.08, 0.00314964/step, 3.14387 hours remaining, 238.796875 MB of memory in use. ENERGY: 1406600 3943.2866 20492.6568 14459.4371 259.2226 -203426.9533 2598.6085 0.0000 0.0000 52004.3702 -109669.3715 298.8698 -161673.7417 -109313.1302 298.6103 151.5550 182.0727 759265.6230 -15.9175 -15.8763 PRESSURE: 1406800 49.1355 -249.767 -178.208 -249.768 45.7232 108.374 -178.207 108.374 -32.7597 GPRESSURE: 1406800 72.7638 -179.749 -239.528 -205.034 118.346 137.019 -47.6188 171.595 -22.247 PRESSAVG: 1406800 22.0359 -37.7682 -12.942 -37.7682 10.2878 -31.5437 -12.942 -31.5437 15.1043 GPRESSAVG: 1406800 21.1447 -35.7713 -12.9338 -39.0524 10.6311 -33.1508 -11.8871 -30.8148 15.9097 TIMING: 1406800 CPU: 4432.71, 0.00314395/step Wall: 4432.71, 0.00314395/step, 3.13801 hours remaining, 238.796875 MB of memory in use. ENERGY: 1406800 4070.6921 20536.3047 14464.3779 245.1502 -204019.9401 2779.8874 0.0000 0.0000 52100.2709 -109823.2569 299.4210 -161923.5278 -109467.9979 298.8464 20.6997 56.2876 759440.3726 15.8093 15.8952 PRESSURE: 1407000 -157.414 129.804 37.6887 129.804 -122.391 -29.8912 37.6883 -29.8916 -53.6624 GPRESSURE: 1407000 -177.7 192.374 65.891 124.266 -43.8968 -49.333 33.4849 27.6907 -60.048 PRESSAVG: 1407000 -1.97545 12.8259 -1.56277 12.826 -25.5518 -1.95542 -1.56283 -1.95537 -14.4414 GPRESSAVG: 1407000 -1.87703 11.5643 -0.720852 15.7266 -26.4729 -1.14687 -4.26868 -3.92779 -13.7412 TIMING: 1407000 CPU: 4433.34, 0.00315449/step Wall: 4433.34, 0.00315449/step, 3.14836 hours remaining, 238.796875 MB of memory in use. ENERGY: 1407000 3913.9436 20565.3739 14435.1497 258.2002 -203363.1648 2337.7960 0.0000 0.0000 52104.0576 -109748.6438 299.4427 -161852.7015 -109383.9956 298.9769 -111.1559 -93.8817 759988.8384 -13.9895 -14.0304 PRESSURE: 1407200 122.893 -31.1783 -52.6143 -31.1783 -14.6491 139.503 -52.6146 139.504 -115.664 GPRESSURE: 1407200 44.2186 -9.64976 -65.9914 -63.4405 58.2149 44.8489 -14.6458 -7.23863 -43.0026 PRESSAVG: 1407200 21.0697 29.9693 -29.9033 29.9692 -15.0838 3.0039 -29.9032 3.00388 31.1109 GPRESSAVG: 1407200 20.9527 31.9353 -31.208 26.7248 -14.2368 1.63661 -26.4307 4.34436 30.2864 TIMING: 1407200 CPU: 4433.97, 0.00314571/step Wall: 4433.97, 0.00314571/step, 3.13942 hours remaining, 238.796875 MB of memory in use. ENERGY: 1407200 3980.2811 20548.8809 14528.7244 263.6035 -203762.5575 2580.0079 0.0000 0.0000 52037.7625 -109823.2972 299.0617 -161861.0597 -109458.4483 298.8585 -2.4735 19.8103 759423.7924 12.3656 12.3341 PRESSURE: 1407400 50.3649 -94.0903 -42.7228 -94.0902 -88.5529 -187.198 -42.7229 -187.199 -304.187 GPRESSURE: 1407400 184.9 -32.073 -0.2614 -112.074 -98.7693 -169.628 -69.0124 -146.844 -365.982 PRESSAVG: 1407400 28.2372 40.6127 -21.4636 40.6128 -0.815544 -11.2302 -21.4637 -11.2303 17.5814 GPRESSAVG: 1407400 27.7927 40.0339 -19.8881 43.9248 -1.04161 -8.38135 -23.214 -12.4126 18.3169 TIMING: 1407400 CPU: 4434.59, 0.00314137/step Wall: 4434.59, 0.00314137/step, 3.13492 hours remaining, 238.796875 MB of memory in use. ENERGY: 1407400 4048.5055 20502.1292 14490.2539 246.9422 -203451.6918 2301.5431 0.0000 0.0000 51841.0250 -110021.2930 297.9311 -161862.3180 -109660.7068 298.2581 -114.1249 -93.2836 760336.2024 15.0010 15.0227 PRESSURE: 1407600 265.14 243.045 208.133 243.045 -105.317 422.931 208.134 422.931 -153.559 GPRESSURE: 1407600 290.869 154.696 153.932 140.97 -70.4181 421.272 128.055 404.475 -128.94 PRESSAVG: 1407600 -4.67642 -11.2952 -6.16528 -11.2953 -5.39533 31.712 -6.1653 31.7121 3.9038 GPRESSAVG: 1407600 -3.02165 -11.9832 -6.44655 -13.5777 -6.4707 29.6497 -7.60057 31.1607 3.83782 TIMING: 1407600 CPU: 4435.23, 0.00316342/step Wall: 4435.23, 0.00316341/step, 3.15674 hours remaining, 238.796875 MB of memory in use. ENERGY: 1407600 4001.4347 20358.2187 14552.5891 261.1570 -203709.5011 2841.8356 0.0000 0.0000 51670.7615 -110023.5044 296.9526 -161694.2659 -109662.7532 298.3460 2.0876 30.5039 758831.7332 -2.0560 -1.8848 PRESSURE: 1407800 -268.336 -179.327 322.352 -179.327 -277.804 -99.0559 322.353 -99.0563 -12.805 GPRESSURE: 1407800 -220.338 -75.0156 298.375 -235.636 -218.388 -87.358 303.999 18.1117 -18.1269 PRESSAVG: 1407800 39.8303 -19.7308 -7.22474 -19.7308 -32.2072 -21.642 -7.2247 -21.642 -8.30015 GPRESSAVG: 1407800 38.9388 -19.9697 -8.22752 -18.7446 -31.019 -20.6608 -6.26564 -20.379 -8.28629 TIMING: 1407800 CPU: 4435.86, 0.00315674/step Wall: 4435.86, 0.00315675/step, 3.14991 hours remaining, 238.796875 MB of memory in use. ENERGY: 1407800 3985.6077 20450.2425 14494.9684 239.4796 -203669.1959 2564.3081 0.0000 0.0000 51836.9695 -110097.6200 297.9078 -161934.5895 -109721.1171 298.2460 -186.3150 -152.2843 760171.6052 -0.2257 -0.1222 PRESSURE: 1408000 -135.881 -35.3197 190.798 -35.3201 -309.489 209.821 190.798 209.822 -54.681 GPRESSURE: 1408000 -190.764 -12.7165 132.74 1.40838 -186.096 278.549 216.595 130.483 -36.4652 PRESSAVG: 1408000 45.7632 -36.4625 -14.9783 -36.4624 -17.53 5.67117 -14.9783 5.67118 20.7414 GPRESSAVG: 1408000 45.0311 -36.3266 -16.1064 -36.3565 -16.8705 6.35915 -14.7997 4.32763 20.5364 TIMING: 1408000 CPU: 4436.49, 0.00315323/step Wall: 4436.49, 0.00315323/step, 3.14622 hours remaining, 238.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1408000 4029.0447 20541.3449 14418.4241 242.4516 -203607.5664 2367.5716 0.0000 0.0000 52016.0444 -109992.6852 298.9369 -162008.7296 -109635.1621 298.2135 -166.6837 -137.7750 760697.5872 16.3249 16.2323 PRESSURE: 1408200 -323.993 23.9887 76.4524 23.9885 -34.29 201.383 76.4526 201.384 67.9278 GPRESSURE: 1408200 -269.869 16.753 72.9441 85.6997 -67.3635 291.552 111.233 172.13 113.529 PRESSAVG: 1408200 -31.2688 12.4139 21.2267 12.4139 64.605 8.12062 21.2268 8.1206 10.1102 GPRESSAVG: 1408200 -30.0413 13.5274 20.9254 12.2893 64.4243 7.79048 21.4066 8.48043 8.72522 TIMING: 1408200 CPU: 4437.12, 0.0031443/step Wall: 4437.12, 0.0031443/step, 3.13713 hours remaining, 238.796875 MB of memory in use. ENERGY: 1408200 3976.1941 20471.8459 14495.6090 224.2953 -203654.9325 2361.9508 0.0000 0.0000 52136.5439 -109988.4936 299.6294 -162125.0375 -109624.2577 298.1566 -96.7852 -74.5681 760654.1931 14.4822 14.3694 LDB: ============= START OF LOAD BALANCING ============== 4449.52 LDB: ============== END OF LOAD BALANCING =============== 4449.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4449.52 LDB: ============= START OF LOAD BALANCING ============== 4449.84 LDB: Largest compute 7062 load 0.031906 is 16.3% of average load 0.195875 LDB: Average compute 0.004368 is 2.2% of average load 0.195875 LDB: TIME 4449.84 LOAD: AVG 0.195875 MAX 0.214658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.988 MB LDB: TIME 4449.84 LOAD: AVG 0.195875 MAX 0.214658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: TIME 4449.84 LOAD: AVG 0.195875 MAX 0.214658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: ============== END OF LOAD BALANCING =============== 4449.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4449.85 PRESSURE: 1408400 19.5654 -119.747 41.1367 -119.747 90.1595 -209.37 41.1361 -209.37 -75.6756 GPRESSURE: 1408400 136.394 -53.0518 91.7067 -188.762 71.6199 -166.868 96.8868 -255.986 -103.41 PRESSAVG: 1408400 3.40017 -21.9809 -32.4823 -21.9809 -34.5954 -18.1801 -32.4823 -18.1801 -14.7183 GPRESSAVG: 1408400 3.77367 -21.2044 -31.176 -25.2422 -36.5445 -19.709 -35.2047 -16.6687 -13.0586 TIMING: 1408400 CPU: 4437.77, 0.0032518/step Wall: 4437.77, 0.0032518/step, 3.24422 hours remaining, 238.667969 MB of memory in use. ENERGY: 1408400 3987.2702 20484.9938 14436.5247 249.5492 -203901.4120 2654.8270 0.0000 0.0000 52257.6995 -109830.5476 300.3257 -162088.2470 -109464.9432 298.5943 11.3498 34.8678 759223.9297 -15.3045 -15.2765 PRESSURE: 1408600 155.64 173.721 98.7892 173.722 -297.474 0.384324 98.7888 0.385314 -206.074 GPRESSURE: 1408600 222.789 148.365 105.788 139.895 -327.404 23.0134 77.2764 91.0273 -149.655 PRESSAVG: 1408600 6.48075 7.28637 9.62168 7.28634 2.8557 -11.2836 9.62163 -11.2835 15.3603 GPRESSAVG: 1408600 5.21196 5.06919 10.2729 10.3876 4.95892 -9.9614 11.8237 -11.4207 14.6932 TIMING: 1408600 CPU: 4438.4, 0.00316001/step Wall: 4438.4, 0.00316001/step, 3.15246 hours remaining, 238.667969 MB of memory in use. ENERGY: 1408600 4003.8818 20772.8859 14445.8013 240.6185 -203265.3632 2513.1684 0.0000 0.0000 51859.6425 -109429.3650 298.0381 -161289.0074 -109091.9115 298.8041 -115.9693 -84.7564 761060.1444 8.2323 8.2880 PRESSURE: 1408800 -37.6623 152.4 -63.4263 152.4 31.371 100.432 -63.4267 100.432 -397.635 GPRESSURE: 1408800 -73.3637 133.772 -26.262 116.45 48.4681 -3.85266 -131.431 68.8417 -279.835 PRESSAVG: 1408800 -29.9552 30.5992 -18.233 30.5992 1.3706 22.5357 -18.233 22.5357 -1.059 GPRESSAVG: 1408800 -28.5531 30.0599 -20.3306 29.1545 -0.319349 21.5264 -18.0914 20.1448 -0.701414 TIMING: 1408800 CPU: 4439.03, 0.00315631/step Wall: 4439.03, 0.00315631/step, 3.1486 hours remaining, 238.667969 MB of memory in use. ENERGY: 1408800 3978.0961 20510.1573 14418.3469 241.2114 -203103.3189 2395.7795 0.0000 0.0000 51950.1762 -109609.5516 298.5584 -161559.7277 -109253.6328 299.2135 -134.6420 -101.5769 761558.6491 -9.8812 -9.8580 PRESSURE: 1409000 150.175 -267.766 117.922 -267.766 215.238 4.03052 117.921 4.03096 -63.2771 GPRESSURE: 1409000 168.493 -114.867 139.518 -159.145 244.927 -17.2364 42.5449 85.7764 -12.3768 PRESSAVG: 1409000 -10.6841 3.88966 10.3725 3.8897 -5.16404 -8.98257 10.3726 -8.98264 -8.80588 GPRESSAVG: 1409000 -11.8369 4.36606 11.2492 3.81108 -3.44627 -9.13432 10.3416 -6.65144 -8.85566 TIMING: 1409000 CPU: 4439.67, 0.00317981/step Wall: 4439.67, 0.00317981/step, 3.17186 hours remaining, 238.667969 MB of memory in use. ENERGY: 1409000 4024.8258 20586.2606 14429.0526 257.9994 -203389.8866 2550.4421 0.0000 0.0000 51916.7464 -109624.5597 298.3663 -161541.3062 -109264.5122 298.8275 100.7118 133.6808 761005.0633 -8.2180 -8.0463 PRESSURE: 1409200 -205.853 56.5903 146.49 56.5902 63.2881 -198.109 146.49 -198.109 -213.099 GPRESSURE: 1409200 -86.6657 -32.4428 153.261 98.6906 115.699 -143.686 4.23856 -175.08 -293.242 PRESSAVG: 1409200 23.1908 -22.579 -1.47764 -22.579 9.52561 -40.3853 -1.47766 -40.3852 -5.6079 GPRESSAVG: 1409200 23.1987 -21.9715 -1.5365 -21.2065 9.29961 -40.2961 -0.796356 -41.8668 -5.45438 TIMING: 1409200 CPU: 4440.3, 0.00317185/step Wall: 4440.3, 0.00317185/step, 3.16374 hours remaining, 238.667969 MB of memory in use. ENERGY: 1409200 3992.2632 20566.6299 14422.2693 244.1913 -203180.1975 2079.5473 0.0000 0.0000 52136.2614 -109739.0351 299.6278 -161875.2965 -109380.3859 299.4391 -118.5545 -88.0698 759435.0726 9.0362 9.0146 PRESSURE: 1409400 -364.503 249.528 191.184 249.528 51.1789 83.1849 191.183 83.1842 -218.003 GPRESSURE: 1409400 -248.386 183.247 145.26 45.6687 40.5326 85.0303 119.559 50.9228 -222.55 PRESSAVG: 1409400 -32.5673 15.6611 -2.34783 15.6611 61.8437 1.01509 -2.34783 1.01505 -17.304 GPRESSAVG: 1409400 -31.3968 15.4448 -2.38543 13.9552 61.0628 1.03056 -3.30888 -0.547435 -17.6041 TIMING: 1409400 CPU: 4440.93, 0.00316223/step Wall: 4440.93, 0.00316223/step, 3.15397 hours remaining, 238.667969 MB of memory in use. ENERGY: 1409400 4110.2470 20582.4650 14414.3300 269.4569 -203477.1447 2495.3832 0.0000 0.0000 52126.0758 -109479.1869 299.5693 -161605.2627 -109124.0148 299.1553 -177.1090 -143.4677 760653.9960 3.9908 4.0206 PRESSURE: 1409600 108.315 184.408 74.6479 184.407 -75.8099 -43.6791 74.6475 -43.6796 444.319 GPRESSURE: 1409600 142.3 109.852 49.3839 110.737 -77.0951 44.1225 146.64 20.915 508.607 PRESSAVG: 1409600 49.8567 0.200196 46.7278 0.200205 -24.0628 30.6154 46.7278 30.6154 -3.75298 GPRESSAVG: 1409600 49.2614 1.61408 46.8438 -0.733446 -23.4824 31.5126 46.4891 33.5689 -3.5096 TIMING: 1409600 CPU: 4441.57, 0.00316722/step Wall: 4441.57, 0.00316722/step, 3.15877 hours remaining, 238.667969 MB of memory in use. ENERGY: 1409600 3955.8496 20521.0154 14422.8165 242.7390 -203216.3591 2680.8416 0.0000 0.0000 52032.7719 -109360.3250 299.0331 -161393.0969 -109003.4979 299.4088 158.9416 191.2706 761611.9457 7.3470 7.4231 PRESSURE: 1409800 78.9819 157.397 85.8388 157.397 -238.808 87.6848 85.8386 87.6845 -162.168 GPRESSURE: 1409800 -2.18071 19.7604 46.0114 97.0138 -46.9163 110.339 184.604 57.5119 -191.236 PRESSAVG: 1409800 98.5424 4.38359 32.123 4.38362 -63.8388 -13.4492 32.123 -13.4493 -7.49992 GPRESSAVG: 1409800 97.5114 3.80872 33.305 5.87889 -62.534 -13.5702 32.4038 -17.0496 -7.82711 TIMING: 1409800 CPU: 4442.2, 0.00314832/step Wall: 4442.2, 0.00314832/step, 3.13975 hours remaining, 238.667969 MB of memory in use. ENERGY: 1409800 4025.7142 20514.3439 14468.3636 254.2181 -203207.4071 2487.3897 0.0000 0.0000 52109.9014 -109347.4761 299.4763 -161457.3775 -108987.2488 299.4688 -107.3314 -80.1109 761725.3127 9.0679 9.0501 PRESSURE: 1410000 -10.2706 47.9106 -13.5792 47.9106 35.4899 -179.411 -13.5801 -179.411 145.297 GPRESSURE: 1410000 111.19 18.694 3.29598 155.795 31.7142 -114.589 -94.4894 -150.915 116.562 PRESSAVG: 1410000 25.6578 -0.357258 -21.5324 -0.357267 -23.8612 -58.2488 -21.5325 -58.2488 -9.28639 GPRESSAVG: 1410000 26.3496 0.622089 -22.2644 1.06549 -25.4101 -59.2418 -21.8815 -56.2658 -8.83362 TIMING: 1410000 CPU: 4442.83, 0.0031704/step Wall: 4442.83, 0.0031704/step, 3.1616 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1410000 3931.6026 20492.8954 14452.3982 246.8005 -203518.4979 2793.6894 0.0000 0.0000 52118.2877 -109482.8242 299.5245 -161601.1119 -109121.0216 299.1680 56.8387 86.4890 761411.3939 -2.4966 -2.6314 PRESSURE: 1410200 -43.6511 -197.58 -133.03 -197.58 103.232 -200.196 -133.029 -200.197 -378.964 GPRESSURE: 1410200 22.7083 -108.681 -113.121 -203.733 94.0747 -113.274 -139.588 -162.437 -372.126 PRESSAVG: 1410200 23.7064 -12.0464 11.0478 -12.0465 -12.7567 -46.4422 11.0478 -46.4421 4.42692 GPRESSAVG: 1410200 24.8914 -12.7372 11.8314 -11.8682 -12.2115 -44.0325 12.4012 -46.8389 2.93581 TIMING: 1410200 CPU: 4443.46, 0.00316137/step Wall: 4443.46, 0.00316137/step, 3.15241 hours remaining, 238.667969 MB of memory in use. ENERGY: 1410200 3996.7846 20507.5881 14420.3045 254.9194 -203920.8045 2906.9267 0.0000 0.0000 52177.1014 -109657.1798 299.8625 -161834.2812 -109298.5900 298.8045 -106.4610 -85.1143 761486.6747 5.1255 5.2052 PRESSURE: 1410400 -229.73 45.7899 -109.803 45.7896 -163.875 210.584 -109.802 210.583 -330.446 GPRESSURE: 1410400 -267.961 70.7919 -143.551 54.9026 -137.596 229.669 -43.5446 112.462 -245.373 PRESSAVG: 1410400 89.1208 59.3517 -2.22758 59.3516 -62.852 -47.172 -2.2275 -47.172 -8.70981 GPRESSAVG: 1410400 88.2816 60.8434 -3.61948 59.1892 -63.295 -49.5881 -0.978823 -46.4235 -7.46465 TIMING: 1410400 CPU: 4444.09, 0.00314376/step Wall: 4444.09, 0.00314376/step, 3.13468 hours remaining, 238.667969 MB of memory in use. ENERGY: 1410400 3941.2617 20587.0719 14424.7799 259.1909 -203604.8574 2524.2512 0.0000 0.0000 52122.0354 -109746.2664 299.5461 -161868.3019 -109385.2171 298.5710 -241.3503 -216.9764 761384.3669 5.8530 5.8407 PRESSURE: 1410600 -175.796 34.9718 105.967 34.9715 23.0564 -44.6633 105.967 -44.6622 130.359 GPRESSURE: 1410600 -94.9715 -2.80163 11.425 160.763 10.2757 -32.9362 152.462 -53.3193 124.582 PRESSAVG: 1410600 14.6864 1.28404 8.63804 1.28405 -24.2349 -55.3657 8.638 -55.3657 -5.39929 GPRESSAVG: 1410600 14.0007 -0.751845 10.9478 2.74897 -24.1996 -55.0163 4.97192 -55.851 -5.12505 TIMING: 1410600 CPU: 4444.72, 0.00315773/step Wall: 4444.72, 0.00315773/step, 3.14843 hours remaining, 238.667969 MB of memory in use. ENERGY: 1410600 3995.0448 20542.4713 14416.3922 246.8730 -203432.0066 2491.6037 0.0000 0.0000 52172.1188 -109567.5027 299.8339 -161739.6216 -109218.0058 298.9127 -7.4604 13.2955 759634.4835 -4.9826 -5.1080 PRESSURE: 1410800 -8.37461 -32.6557 -155.167 -32.6569 -378.663 -171.918 -155.167 -171.918 -264.678 GPRESSURE: 1410800 -71.9368 35.2895 -174.465 59.7669 -219.542 -117.62 -188.849 -218.885 -290.033 PRESSAVG: 1410800 7.16398 -21.7151 -9.56476 -21.7152 7.15773 -77.9779 -9.56471 -77.9779 -18.8297 GPRESSAVG: 1410800 8.21124 -20.5114 -11.9416 -23.9181 7.84685 -77.823 -7.18851 -77.3061 -20.4604 TIMING: 1410800 CPU: 4445.35, 0.00313904/step Wall: 4445.35, 0.00313904/step, 3.12962 hours remaining, 238.667969 MB of memory in use. ENERGY: 1410800 3981.1016 20504.8619 14342.2622 219.8221 -203439.9242 2565.6901 0.0000 0.0000 52213.9293 -109612.2570 300.0742 -161826.1863 -109257.2011 298.9786 -217.2384 -193.8374 762183.8746 -1.5027 -1.4674 PRESSURE: 1411000 26.1542 -142.104 -85.51 -142.103 -2.32916 87.3496 -85.5094 87.3489 -269.367 GPRESSURE: 1411000 76.3239 -54.0256 -50.0597 -133.387 32.7894 21.4547 -134.827 -8.31916 -265.355 PRESSAVG: 1411000 40.1118 -26.3469 16.4697 -26.3469 5.40138 -9.21906 16.4697 -9.21908 -19.6726 GPRESSAVG: 1411000 38.9155 -26.9425 17.6876 -27.3526 5.14563 -6.8795 15.5901 -11.3934 -18.0185 TIMING: 1411000 CPU: 4445.98, 0.00313929/step Wall: 4445.98, 0.00313929/step, 3.1297 hours remaining, 238.667969 MB of memory in use. ENERGY: 1411000 4038.3600 20523.4429 14455.7564 260.0655 -203577.6586 2743.5808 0.0000 0.0000 51881.8733 -109674.5797 298.1658 -161556.4530 -109317.5501 298.9811 -81.8472 -52.0804 760113.2047 8.6135 8.6809 PRESSURE: 1411200 -387.21 -252.121 -51.8853 -252.121 -82.2875 -80.0379 -51.8855 -80.0384 2.35696 GPRESSURE: 1411200 -241.508 -184.214 -32.6328 -187.652 -68.3548 -89.7576 -16.5552 -63.8882 -55.3841 PRESSAVG: 1411200 -10.2153 21.3831 -30.417 21.383 40.9521 -28.9565 -30.4171 -28.9566 9.89223 GPRESSAVG: 1411200 -8.87333 23.0515 -32.567 23.094 39.8185 -30.1927 -29.8637 -30.5777 9.16159 TIMING: 1411200 CPU: 4446.61, 0.00313937/step Wall: 4446.61, 0.00313937/step, 3.1296 hours remaining, 238.667969 MB of memory in use. ENERGY: 1411200 4030.8326 20301.5550 14430.9157 238.7617 -203004.0319 2174.0821 0.0000 0.0000 52116.9003 -109710.9846 299.5165 -161827.8848 -109341.1504 299.0456 -155.7135 -121.7491 760524.3271 13.5430 13.3689 PRESSURE: 1411400 66.866 -126.329 -85.0682 -126.329 138.745 187.915 -85.0681 187.916 312.398 GPRESSURE: 1411400 105.706 -121.839 -96.8238 -81.3625 158.172 174.643 -151.806 135.83 337.753 PRESSAVG: 1411400 -6.63488 -44.99 -34.8032 -44.99 9.54172 -28.752 -34.8032 -28.7521 -0.87449 GPRESSAVG: 1411400 -7.62015 -46.4882 -33.1503 -45.9549 10.3981 -29.1257 -35.3898 -24.8762 -1.53879 TIMING: 1411400 CPU: 4447.24, 0.00316493/step Wall: 4447.24, 0.00316494/step, 3.15491 hours remaining, 238.667969 MB of memory in use. ENERGY: 1411400 3986.4105 20414.5280 14436.9269 251.7939 -203630.6020 2520.9567 0.0000 0.0000 52091.6568 -109928.3292 299.3715 -162019.9860 -109563.4587 299.1162 172.6696 200.5437 759088.4091 0.6775 0.4131 PRESSURE: 1411600 69.0013 14.2841 -99.9302 14.2841 -203.969 -122.625 -99.9299 -122.625 44.4367 GPRESSURE: 1411600 18.5203 5.64663 -17.3213 -93.4397 -144.333 -246.592 18.7814 3.15307 118.683 PRESSAVG: 1411600 -18.4642 -57.1794 -32.7801 -57.1794 4.60202 -19.4562 -32.7801 -19.4562 12.9762 GPRESSAVG: 1411600 -18.4475 -58.3817 -31.2142 -57.2731 4.23191 -19.3453 -32.459 -20.5439 13.5005 TIMING: 1411600 CPU: 4447.87, 0.00315812/step Wall: 4447.87, 0.00315812/step, 3.14795 hours remaining, 238.667969 MB of memory in use. ENERGY: 1411600 3987.7017 20608.5330 14382.8355 253.5972 -203167.7880 2326.8812 0.0000 0.0000 52027.6162 -109580.6232 299.0034 -161608.2394 -109229.3472 298.5906 -30.1770 -2.3763 759765.4729 -0.2953 -0.2384 PRESSURE: 1411800 -387.964 166.393 38.595 166.392 -319.511 -232.005 38.595 -232.003 -602.585 GPRESSURE: 1411800 -317.456 153.846 -18.4335 146.728 -302.417 -158.1 30.5084 -125.624 -614.307 PRESSAVG: 1411800 49.5577 -15.849 -13.9638 -15.849 -15.6504 -18.0117 -13.9638 -18.0116 25.7349 GPRESSAVG: 1411800 49.7738 -17.619 -16.2443 -14.8957 -15.8866 -18.6609 -11.5048 -19.1689 25.3603 TIMING: 1411800 CPU: 4448.5, 0.00316125/step Wall: 4448.5, 0.00316126/step, 3.15089 hours remaining, 238.667969 MB of memory in use. ENERGY: 1411800 4001.2524 20616.0425 14325.6484 242.5807 -202772.6701 2089.2578 0.0000 0.0000 51989.9000 -109507.9884 298.7867 -161497.8884 -109150.6754 299.6716 -436.6866 -411.3934 762151.7231 19.8807 19.7492 PRESSURE: 1412000 -242.278 -175.42 30.8509 -175.42 -170.176 76.8173 30.852 76.8173 -190.005 GPRESSURE: 1412000 -250.566 -205.52 -41.9188 -222.218 -101.835 33.8765 191.951 123.652 -175.403 PRESSAVG: 1412000 28.1475 -5.63214 -10.1709 -5.63213 -36.661 -38.5518 -10.1709 -38.5518 -2.24571 GPRESSAVG: 1412000 28.8591 -2.64299 -10.4881 -6.34437 -36.894 -38.751 -13.5584 -38.1404 -2.86755 TIMING: 1412000 CPU: 4449.13, 0.00313854/step Wall: 4449.13, 0.00313854/step, 3.12808 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1412000 3957.6354 20648.1318 14373.1745 239.0867 -202902.6196 2190.8670 0.0000 0.0000 52148.0128 -109345.7114 299.6953 -161493.7242 -108989.2725 299.6462 -200.8198 -175.9348 760536.9059 -3.5864 -3.6342 PRESSURE: 1412200 -241.842 197.635 -211.839 197.635 -251.252 98.4374 -211.837 98.4373 18.8342 GPRESSURE: 1412200 -186.62 98.1231 -164.678 47.6174 -201.186 71.6634 -24.8136 -125.891 -9.8785 PRESSAVG: 1412200 -28.617 -29.9266 -9.32679 -29.9266 -0.852705 -63.8262 -9.32684 -63.8262 -1.77014 GPRESSAVG: 1412200 -29.3244 -31.2939 -7.43402 -30.8682 -0.520785 -64.1708 -7.9323 -63.736 -2.05989 TIMING: 1412200 CPU: 4449.76, 0.00313913/step Wall: 4449.76, 0.00313913/step, 3.12849 hours remaining, 238.667969 MB of memory in use. ENERGY: 1412200 3950.7864 20527.4543 14470.2365 246.2852 -202965.7969 2320.5383 0.0000 0.0000 52430.7889 -109019.7073 301.3205 -161450.4962 -108646.0511 300.0902 -158.0868 -132.5616 760979.9147 -10.4133 -10.6350 LDB: ============= START OF LOAD BALANCING ============== 4462.16 LDB: ============== END OF LOAD BALANCING =============== 4462.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4462.16 LDB: ============= START OF LOAD BALANCING ============== 4462.48 LDB: Largest compute 7078 load 0.033027 is 16.9% of average load 0.195923 LDB: Average compute 0.004384 is 2.2% of average load 0.195923 LDB: TIME 4462.48 LOAD: AVG 0.195923 MAX 0.215079 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.234 MB LDB: TIME 4462.48 LOAD: AVG 0.195923 MAX 0.215079 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.234 MB LDB: TIME 4462.48 LOAD: AVG 0.195923 MAX 0.215079 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.234 MB LDB: ============== END OF LOAD BALANCING =============== 4462.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4462.49 PRESSURE: 1412400 -389.143 32.3658 -26.5995 32.3661 -87.5865 -65.4882 -26.6 -65.4876 -415.283 GPRESSURE: 1412400 -366.041 61.6539 -16.0854 133.909 -56.0294 -67.2454 -82.8503 8.55288 -391.174 PRESSAVG: 1412400 22.1041 -5.66081 -11.0115 -5.66081 -9.3542 -28.5494 -11.0115 -28.5493 -27.8554 GPRESSAVG: 1412400 21.143 -6.69064 -12.9016 -3.4999 -8.32722 -27.9819 -10.4587 -27.5793 -27.7513 TIMING: 1412400 CPU: 4450.41, 0.00323262/step Wall: 4450.41, 0.00323262/step, 3.22149 hours remaining, 236.750000 MB of memory in use. ENERGY: 1412400 4034.3137 20604.1404 14510.9256 240.3871 -203073.5784 2362.3761 0.0000 0.0000 52418.8687 -108902.5668 301.2520 -161321.4355 -108544.1565 300.6378 -297.3375 -271.0816 760470.7335 -5.0352 -4.9785 PRESSURE: 1412600 -54.9501 -99.2087 63.1455 -99.2086 -307.525 -302.078 63.1475 -302.078 -170.535 GPRESSURE: 1412600 -115.503 -40.7149 208.618 -93.3275 -247.018 -285.178 -12.3387 -350.783 -89.7792 PRESSAVG: 1412600 15.3868 0.394634 -18.4167 0.394664 -10.6675 -76.9078 -18.4167 -76.9078 -1.54166 GPRESSAVG: 1412600 15.2023 1.51405 -18.1928 0.471632 -11.5881 -77.2493 -18.5311 -76.5194 -0.960544 TIMING: 1412600 CPU: 4451.04, 0.00316099/step Wall: 4451.04, 0.00316099/step, 3.14993 hours remaining, 236.750000 MB of memory in use. ENERGY: 1412600 3973.3503 20498.7390 14443.3688 237.7103 -203025.7635 2391.7792 0.0000 0.0000 52388.2573 -109092.5585 301.0760 -161480.8157 -108723.7653 300.0760 -177.6701 -150.7668 762290.6516 1.0592 0.8846 PRESSURE: 1412800 -317.992 39.9984 -53.241 39.9991 -47.3889 -76.3573 -53.2419 -76.358 -218.376 GPRESSURE: 1412800 -191.065 -92.3951 -50.3349 -48.9566 -98.6702 -161.906 13.5093 -75.2819 -189.275 PRESSAVG: 1412800 -43.6162 -5.29659 -30.3724 -5.29668 34.1868 -59.2399 -30.3724 -59.2399 0.737992 GPRESSAVG: 1412800 -43.1935 -6.01822 -30.4607 -4.66817 33.4115 -59.9234 -30.5475 -60.2153 1.45583 TIMING: 1412800 CPU: 4451.67, 0.00315143/step Wall: 4451.67, 0.00315143/step, 3.14023 hours remaining, 236.750000 MB of memory in use. ENERGY: 1412800 4081.6747 20564.1565 14306.6442 244.4887 -202606.9236 2200.9553 0.0000 0.0000 52165.9566 -109043.0476 299.7985 -161209.0042 -108678.1529 300.2479 -194.5857 -159.6700 762332.7369 -2.8972 -2.7754 PRESSURE: 1413000 -107.463 -99.4212 114.177 -99.4215 128.451 -294.981 114.177 -294.981 186.729 GPRESSURE: 1413000 -5.99265 8.30607 74.4182 -76.4731 113.369 -240.73 -21.3384 -228.522 183.714 PRESSAVG: 1413000 10.2533 -66.8628 -63.2862 -66.8628 -14.7081 2.18212 -63.2863 2.18209 2.11612 GPRESSAVG: 1413000 11.2127 -65.3297 -61.3259 -69.6026 -14.9719 2.73171 -65.8378 1.06149 0.660672 TIMING: 1413000 CPU: 4452.3, 0.00315048/step Wall: 4452.3, 0.00315048/step, 3.1391 hours remaining, 236.750000 MB of memory in use. ENERGY: 1413000 3944.6696 20567.8798 14422.6433 263.6350 -203017.5595 2549.1824 0.0000 0.0000 52132.2995 -109137.2500 299.6050 -161269.5495 -108772.1738 300.2125 69.2389 97.0301 760969.8834 -0.7796 -1.0328 PRESSURE: 1413200 -96.1255 46.4512 -67.3618 46.4514 -134.632 -83.3593 -67.3621 -83.3601 87.0018 GPRESSURE: 1413200 -50.4593 31.4629 56.3268 15.1006 -90.1548 -156.814 -97.0583 -73.1725 74.8664 PRESSAVG: 1413200 0.569862 -50.9776 12.2495 -50.9776 30.4195 -21.5976 12.2495 -21.5976 7.98918 GPRESSAVG: 1413200 -0.941345 -49.6701 12.0252 -51.4771 30.3455 -20.1703 13.5467 -21.1449 9.55908 TIMING: 1413200 CPU: 4452.93, 0.0031448/step Wall: 4452.93, 0.0031448/step, 3.13327 hours remaining, 236.750000 MB of memory in use. ENERGY: 1413200 4012.7756 20576.5539 14453.6790 231.0047 -203598.0699 2690.1931 0.0000 0.0000 52372.8632 -109261.0005 300.9876 -161633.8637 -108897.9788 300.1380 -47.9186 -21.9159 760695.8735 12.9929 12.9878 PRESSURE: 1413400 246.043 82.6821 -141.601 82.6816 -201.226 89.4094 -141.601 89.4097 -417.929 GPRESSURE: 1413400 203.866 66.8593 -152.614 47.6795 -116.97 86.6347 -125.348 -67.5997 -385.015 PRESSAVG: 1413400 -27.5537 -26.043 -8.20872 -26.0431 -43.5739 -66.0401 -8.2087 -66.0401 12.8121 GPRESSAVG: 1413400 -26.987 -28.9277 -10.5454 -22.5906 -42.1872 -66.7722 -5.63202 -67.208 11.4564 TIMING: 1413400 CPU: 4453.56, 0.00315326/step Wall: 4453.56, 0.00315326/step, 3.14152 hours remaining, 236.750000 MB of memory in use. ENERGY: 1413400 3977.3298 20588.5726 14496.1076 243.3031 -203283.4739 2590.9088 0.0000 0.0000 52012.3235 -109374.9286 298.9155 -161387.2521 -109019.3857 299.9301 -124.3707 -99.3732 762406.4427 -19.4385 -19.2392 PRESSURE: 1413600 -57.8725 -272.175 20.9941 -272.175 -401.089 -95.1034 20.9941 -95.1044 -185.662 GPRESSURE: 1413600 21.662 -209.277 61.2269 -112.768 -453.077 -143.285 -111.502 -160.806 -119.126 PRESSAVG: 1413600 36.7949 -10.5914 -8.33737 -10.5913 -0.186852 -65.2982 -8.33733 -65.2982 -13.1851 GPRESSAVG: 1413600 35.991 -8.70556 -6.80928 -13.2844 -1.0462 -66.4995 -10.4122 -64.2594 -11.082 TIMING: 1413600 CPU: 4454.19, 0.00316115/step Wall: 4454.19, 0.00316115/step, 3.14921 hours remaining, 236.750000 MB of memory in use. ENERGY: 1413600 4043.5676 20531.3332 14453.3740 231.3871 -203215.9507 2396.2860 0.0000 0.0000 52079.7118 -109480.2910 299.3028 -161560.0028 -109115.3981 298.8012 -214.8744 -183.5134 763842.5897 7.8077 7.9543 PRESSURE: 1413800 -325.628 -267.021 21.392 -267.021 62.0713 -134.215 21.3923 -134.214 52.2666 GPRESSURE: 1413800 -343.913 -287.44 -40.5062 -232.584 211.438 -73.7725 -148.791 -141.695 -8.05003 PRESSAVG: 1413800 -14.817 -19.1192 -39.8671 -19.1192 2.27452 -19.8129 -39.8671 -19.8129 35.3677 GPRESSAVG: 1413800 -13.9191 -20.489 -41.3178 -17.0926 2.3028 -18.3269 -38.089 -20.0153 33.7695 TIMING: 1413800 CPU: 4454.82, 0.00315045/step Wall: 4454.82, 0.00315045/step, 3.13837 hours remaining, 236.750000 MB of memory in use. ENERGY: 1413800 3972.5539 20540.7294 14493.2602 234.8448 -203039.7666 2384.5730 0.0000 0.0000 51822.8084 -109590.9969 297.8264 -161413.8052 -109230.1313 299.1065 -70.4299 -46.8417 760781.0706 7.6084 7.3844 PRESSURE: 1414000 -343.542 36.4985 -67.916 36.4986 -288.133 -103.311 -67.9163 -103.31 -176.25 GPRESSURE: 1414000 -321.27 120.224 -34.074 -72.4394 -213.514 -162.143 -24.6241 -33.9403 -189.69 PRESSAVG: 1414000 -42.5849 19.815 -55.9615 19.815 107.888 -16.8407 -55.9615 -16.8408 8.53248 GPRESSAVG: 1414000 -41.9836 20.4194 -55.0322 17.9279 105.964 -18.1746 -56.7355 -17.7008 9.3118 TIMING: 1414000 CPU: 4455.45, 0.00313201/step Wall: 4455.45, 0.00313201/step, 3.11983 hours remaining, 236.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1414000 4006.8108 20416.8934 14479.6642 240.3963 -202799.8091 2297.5284 0.0000 0.0000 51843.0818 -109515.4341 297.9429 -161358.5160 -109154.7674 299.0396 -269.3086 -241.4913 763050.2077 24.6119 24.4306 PRESSURE: 1414200 -233.307 -74.5436 -81.2959 -74.5433 -32.7694 140.512 -81.2959 140.512 -451.513 GPRESSURE: 1414200 -176.28 -166.803 -59.9544 -40.6263 25.3303 195.655 9.25493 145.752 -460.419 PRESSAVG: 1414200 -9.80779 13.321 -16.5206 13.321 -43.5431 14.8348 -16.5205 14.8347 -6.01472 GPRESSAVG: 1414200 -10.6683 13.5944 -14.3834 13.0672 -41.9735 16.0166 -17.3071 14.5914 -6.91388 TIMING: 1414200 CPU: 4456.07, 0.0031314/step Wall: 4456.07, 0.0031314/step, 3.11905 hours remaining, 236.750000 MB of memory in use. ENERGY: 1414200 3986.8880 20412.0674 14513.9167 265.2599 -203090.3733 2544.7929 0.0000 0.0000 51890.0116 -109477.4368 298.2126 -161367.4484 -109114.9923 298.6697 -239.1966 -203.7895 763181.5157 -19.7885 -19.8519 PRESSURE: 1414400 120.449 -60.1359 -18.9353 -60.1364 108.097 -210.848 -18.9353 -210.849 28.1276 GPRESSURE: 1414400 183.236 -65.4645 -24.5303 -84.948 135.647 -146.389 -178.872 -159.258 2.6735 PRESSAVG: 1414400 -14.5713 -26.8636 -1.15453 -26.8637 -2.34449 -8.74283 -1.15447 -8.74286 2.31524 GPRESSAVG: 1414400 -13.3418 -27.7474 -2.84136 -25.0259 -3.27791 -7.57933 -0.391469 -9.04811 1.87506 TIMING: 1414400 CPU: 4456.7, 0.00315639/step Wall: 4456.7, 0.00315639/step, 3.14376 hours remaining, 236.750000 MB of memory in use. ENERGY: 1414400 3910.9771 20405.0484 14455.1659 243.9430 -203267.7716 2636.1244 0.0000 0.0000 52115.5203 -109500.9924 299.5086 -161616.5127 -109135.2886 299.1036 85.5581 107.1858 761581.9501 -4.8669 -4.9149 PRESSURE: 1414600 286.412 -89.8146 -391.45 -89.8145 -142.857 142.436 -391.45 142.437 183.545 GPRESSURE: 1414600 266.547 -104.276 -315.697 -65.4768 -44.6323 142.956 -320.239 133.975 177.07 PRESSAVG: 1414600 12.4761 -8.52175 47.8781 -8.52177 3.41954 -52.7098 47.8781 -52.7098 11.0148 GPRESSAVG: 1414600 11.2094 -9.7388 49.1277 -7.89069 3.95447 -56.2842 45.9047 -50.6781 11.4044 TIMING: 1414600 CPU: 4457.34, 0.00316376/step Wall: 4457.34, 0.00316376/step, 3.15093 hours remaining, 236.750000 MB of memory in use. ENERGY: 1414600 3945.4229 20561.3980 14434.9175 261.5139 -203223.0503 2601.0894 0.0000 0.0000 51945.6544 -109473.0542 298.5324 -161418.7086 -109112.6136 299.1278 109.0333 132.9950 762702.3415 8.9701 8.8561 PRESSURE: 1414800 -218.728 126.704 -144.845 126.704 -128.936 109.067 -144.845 109.067 -172.135 GPRESSURE: 1414800 -266.809 119.503 -170.117 119.263 -56.1652 79.5001 -103.911 36.1731 -101.378 PRESSAVG: 1414800 -20.0875 -54.388 -16.8179 -54.388 2.49111 -67.027 -16.818 -67.027 18.8114 GPRESSAVG: 1414800 -20.8171 -53.3374 -17.9482 -54.3843 3.39844 -64.5322 -15.3356 -67.8091 18.6049 TIMING: 1414800 CPU: 4457.97, 0.00316212/step Wall: 4457.97, 0.00316212/step, 3.14912 hours remaining, 236.750000 MB of memory in use. ENERGY: 1414800 4095.9874 20337.8015 14419.5811 257.6472 -203054.5115 2338.0137 0.0000 0.0000 52051.2147 -109554.2658 299.1390 -161605.4805 -109187.7810 299.3204 -173.2667 -141.4507 762020.1130 0.4050 0.3954 PRESSURE: 1415000 -144.256 277.264 169.872 277.265 -120.633 234.562 169.872 234.561 90.2601 GPRESSURE: 1415000 -77.2513 295.086 259.169 232.345 -116.722 209.617 72.3105 167.32 107.825 PRESSAVG: 1415000 -14.0153 30.7194 -25.0832 30.7193 -8.25401 11.6196 -25.0833 11.6196 1.11524 GPRESSAVG: 1415000 -13.9641 32.0934 -24.644 28.9106 -8.46771 11.8635 -26.372 10.4288 1.40787 TIMING: 1415000 CPU: 4458.6, 0.0031431/step Wall: 4458.6, 0.0031431/step, 3.13 hours remaining, 236.750000 MB of memory in use. ENERGY: 1415000 3989.8938 20368.2761 14434.7637 250.5754 -203191.9619 2571.9631 0.0000 0.0000 52011.6243 -109564.8656 298.9115 -161576.4898 -109208.3219 298.9458 -58.2095 -28.7159 762441.0328 -7.0514 -7.0080 PRESSURE: 1415200 -171.442 -194.446 -13.3584 -194.446 -119.883 18.9648 -13.3578 18.9646 -37.7728 GPRESSURE: 1415200 -182.337 -81.0595 -60.2229 -72.6423 -69.9225 -44.315 76.7831 62.5945 16.6052 PRESSAVG: 1415200 -6.20748 11.1164 9.09696 11.1164 10.9613 9.42879 9.09692 9.42877 5.75822 GPRESSAVG: 1415200 -7.33253 8.34101 9.45873 10.9851 10.4369 8.26413 9.52093 9.25935 6.34769 TIMING: 1415200 CPU: 4459.23, 0.00316146/step Wall: 4459.23, 0.00316146/step, 3.14811 hours remaining, 236.750000 MB of memory in use. ENERGY: 1415200 4057.8063 20569.7640 14430.8252 242.9661 -203397.3188 2505.1693 0.0000 0.0000 52043.4885 -109547.2993 299.0946 -161590.7878 -109184.7541 298.6345 -109.6992 -78.5514 761903.8801 3.5040 3.1507 PRESSURE: 1415400 -145.326 120.874 163.492 120.874 -286.84 274.976 163.491 274.976 48.4485 GPRESSURE: 1415400 -122.149 102.405 189.048 41.8964 -253.201 170.947 84.1882 176.089 66.0143 PRESSAVG: 1415400 56.0406 -32.1343 12.5808 -32.1343 -53.6708 9.59903 12.5807 9.59908 32.235 GPRESSAVG: 1415400 56.8339 -31.2529 12.2608 -30.9065 -53.0928 9.34766 11.4478 11.7128 30.4633 TIMING: 1415400 CPU: 4459.86, 0.00313897/step Wall: 4459.86, 0.00313897/step, 3.12554 hours remaining, 236.750000 MB of memory in use. ENERGY: 1415400 3910.8732 20448.9633 14481.5974 262.1589 -203035.8632 2215.1848 0.0000 0.0000 51944.4111 -109772.6746 298.5252 -161717.0857 -109416.8630 298.4274 -127.9060 -103.1117 761350.7795 11.5349 11.4015 PRESSURE: 1415600 -397.131 40.578 -113.425 40.5787 -269.634 46.4404 -113.425 46.4407 -303.749 GPRESSURE: 1415600 -315.227 45.7494 -76.1206 107.539 -319.709 2.13006 -68.76 -8.72246 -254.232 PRESSAVG: 1415600 -14.6184 -14.6631 28.4238 -14.663 -2.62671 -9.14858 28.4238 -9.14853 4.28146 GPRESSAVG: 1415600 -14.3681 -13.2104 28.561 -16.1019 -2.01825 -9.29108 31.0898 -9.52125 4.07946 TIMING: 1415600 CPU: 4460.49, 0.00315153/step Wall: 4460.49, 0.00315153/step, 3.13788 hours remaining, 236.750000 MB of memory in use. ENERGY: 1415600 4030.6976 20384.1288 14469.7417 252.9608 -202947.3953 2172.0187 0.0000 0.0000 52002.8844 -109634.9633 298.8613 -161637.8477 -109264.1312 298.8877 -323.5047 -296.3894 762377.6337 -4.3212 -4.1023 PRESSURE: 1415800 -201.862 163.56 4.70411 163.56 86.8109 98.6932 4.7041 98.693 133.134 GPRESSURE: 1415800 -162.411 254.445 -79.0497 128.367 141.751 18.8249 36.8153 26.2893 116.685 PRESSAVG: 1415800 -56.3744 -47.6071 20.9682 -47.607 29.0062 -39.9433 20.9683 -39.9432 -29.332 GPRESSAVG: 1415800 -56.4208 -48.3176 20.8238 -48.755 27.5628 -39.3328 20.4765 -38.9407 -28.27 TIMING: 1415800 CPU: 4461.12, 0.00314933/step Wall: 4461.12, 0.00314933/step, 3.1355 hours remaining, 236.750000 MB of memory in use. ENERGY: 1415800 3984.7465 20594.6314 14492.4803 239.2529 -203478.6502 2485.7776 0.0000 0.0000 51913.4205 -109768.3410 298.3471 -161681.7615 -109400.6176 298.5070 6.0275 32.0084 762356.0214 -18.9001 -19.0427 PRESSURE: 1416000 145.205 178.405 285.428 178.405 -124.25 169.474 285.428 169.474 183.235 GPRESSURE: 1416000 250.372 148.529 259.952 228.105 -188.108 149.562 273.028 221.9 236.507 PRESSAVG: 1416000 -23.4902 -17.8878 59.3944 -17.8878 5.14321 5.05463 59.3943 5.05466 -9.00498 GPRESSAVG: 1416000 -23.6964 -19.1147 58.5316 -15.8624 6.25625 6.79213 59.1479 1.67381 -9.83597 TIMING: 1416000 CPU: 4461.75, 0.00314653/step Wall: 4461.75, 0.00314653/step, 3.13254 hours remaining, 236.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1416000 3933.3677 20421.0549 14511.7470 255.8303 -203607.1841 2728.8745 0.0000 0.0000 51562.5937 -110193.7161 296.3309 -161756.3098 -109843.0932 297.7869 68.0631 99.5901 762283.1398 -9.1173 -9.0921 PRESSURE: 1416200 68.667 -75.5124 340.852 -75.5129 -156.273 -97.7315 340.852 -97.7309 -125.465 GPRESSURE: 1416200 39.2663 -12.0848 360.685 8.31555 -48.7895 -82.2559 236.502 -47.4567 -116.417 PRESSAVG: 1416200 45.4602 0.0203018 -21.783 0.0203288 -22.1251 25.481 -21.7829 25.481 21.7553 GPRESSAVG: 1416200 44.1483 0.486625 -21.1443 0.799498 -21.1176 23.8833 -23.6781 26.6735 22.1922 TIMING: 1416200 CPU: 4462.38, 0.00315807/step Wall: 4462.38, 0.00315807/step, 3.14386 hours remaining, 236.750000 MB of memory in use. ENERGY: 1416200 3970.9327 20524.8491 14499.7840 238.1101 -203811.0534 2596.0680 0.0000 0.0000 51858.9754 -110122.3341 298.0342 -161981.3095 -109760.6186 298.0368 -71.0237 -41.9799 759881.6114 15.0301 15.0743 LDB: ============= START OF LOAD BALANCING ============== 4474.78 LDB: ============== END OF LOAD BALANCING =============== 4474.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4474.78 LDB: ============= START OF LOAD BALANCING ============== 4475.09 LDB: Largest compute 7031 load 0.035258 is 18.0% of average load 0.195999 LDB: Average compute 0.004379 is 2.2% of average load 0.195999 LDB: TIME 4475.1 LOAD: AVG 0.195999 MAX 0.217938 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.797 MB LDB: TIME 4475.1 LOAD: AVG 0.195999 MAX 0.217938 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239 MB LDB: TIME 4475.1 LOAD: AVG 0.195999 MAX 0.217938 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239 MB LDB: ============== END OF LOAD BALANCING =============== 4475.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4475.1 PRESSURE: 1416400 20.5624 -181.576 55.2991 -181.576 37.9366 24.3708 55.2991 24.3712 261.399 GPRESSURE: 1416400 17.3768 -210.396 114.05 -230.083 81.0432 -69.7102 43.4982 -2.98005 313.823 PRESSAVG: 1416400 54.9661 -49.2267 -11.3757 -49.2267 -2.62735 -14.595 -11.3757 -14.5951 12.3461 GPRESSAVG: 1416400 56.002 -47.7388 -9.66694 -49.6825 -3.63967 -14.5374 -10.2453 -15.8482 12.1221 TIMING: 1416400 CPU: 4463.02, 0.00320862/step Wall: 4463.02, 0.00320862/step, 3.194 hours remaining, 238.351562 MB of memory in use. ENERGY: 1416400 3984.4617 20486.1441 14366.3216 242.0312 -203800.3535 2760.8295 0.0000 0.0000 51599.5642 -110361.0012 296.5434 -161960.5654 -110002.5825 297.6391 106.6327 137.4144 760108.2678 21.5616 21.4948 PRESSURE: 1416600 111.301 97.5242 -227.129 97.5241 -62.0032 -75.9008 -227.129 -75.902 259.144 GPRESSURE: 1416600 116.153 73.2537 -242.436 -29.0081 -31.2869 -116.742 -312.947 -129.145 311.098 PRESSAVG: 1416600 11.8712 -13.6212 -5.59404 -13.6212 47.9852 -5.81248 -5.59406 -5.81246 -0.152103 GPRESSAVG: 1416600 11.6187 -14.6496 -7.39255 -14.1435 47.0995 -7.01683 -6.87746 -4.48391 0.799017 TIMING: 1416600 CPU: 4463.65, 0.00314522/step Wall: 4463.65, 0.00314522/step, 3.13072 hours remaining, 238.554688 MB of memory in use. ENERGY: 1416600 4018.8858 20435.8828 14343.5464 250.7975 -204228.9846 3027.2673 0.0000 0.0000 51908.3775 -110244.2273 298.3182 -162152.6048 -109881.9565 297.4458 102.8139 131.9881 760769.1032 19.9014 19.8391 PRESSURE: 1416800 125.81 95.9184 -31.088 95.9183 10.6901 -188.744 -31.0879 -188.745 249.757 GPRESSURE: 1416800 169.941 86.4193 50.788 47.5372 28.1333 -167.64 8.42288 -77.6164 294.176 PRESSAVG: 1416800 -18.1922 13.6721 5.5743 13.6721 6.09384 -20.0513 5.57426 -20.0513 15.9841 GPRESSAVG: 1416800 -19.0111 12.4902 3.80448 14.3398 7.0905 -18.3727 7.20546 -18.9025 15.8294 TIMING: 1416800 CPU: 4464.28, 0.00316382/step Wall: 4464.28, 0.00316382/step, 3.14905 hours remaining, 238.554688 MB of memory in use. ENERGY: 1416800 3968.9754 20385.3952 14418.3581 251.5216 -203846.4546 2563.4766 0.0000 0.0000 51906.9441 -110351.7835 298.3099 -162258.7277 -109990.0394 297.4250 128.7523 164.0835 760982.9585 1.2953 1.3029 PRESSURE: 1417000 -159.398 -54.3038 -144.356 -54.3034 -67.0975 -126.594 -144.356 -126.593 -215.84 GPRESSURE: 1417000 -139.416 -93.2756 -122.731 -44.1304 -29.026 -131.906 -170.729 -150.653 -196.441 PRESSAVG: 1417000 -22.0326 -32.726 16.323 -32.726 -37.5194 -73.4678 16.3231 -73.4678 -48.3815 GPRESSAVG: 1417000 -21.2424 -32.2868 18.0127 -32.941 -38.2236 -71.7542 15.0321 -77.0219 -48.9674 TIMING: 1417000 CPU: 4464.91, 0.00313278/step Wall: 4464.91, 0.00313278/step, 3.11799 hours remaining, 238.554688 MB of memory in use. ENERGY: 1417000 4028.5686 20455.0475 14377.5484 249.0232 -203746.1049 2806.2426 0.0000 0.0000 51737.5763 -110092.0983 297.3366 -161829.6746 -109738.7682 297.4124 -147.4451 -121.6278 763250.0461 -35.9779 -36.1445 PRESSURE: 1417200 -150.966 -295.898 -201.248 -295.897 259.023 -177.153 -201.248 -177.153 -383.156 GPRESSURE: 1417200 -41.3699 -226.538 -270.884 -222.473 203.352 -122.077 -155.359 -161.595 -362.211 PRESSAVG: 1417200 -12.7443 -32.2552 19.9727 -32.2553 28.2552 -6.20525 19.9727 -6.20521 0.971153 GPRESSAVG: 1417200 -13.7266 -29.4576 18.7074 -34.3791 30.309 -6.10021 23.2315 -3.38326 0.607647 TIMING: 1417200 CPU: 4465.54, 0.00314514/step Wall: 4465.54, 0.00314514/step, 3.13011 hours remaining, 238.554688 MB of memory in use. ENERGY: 1417200 4010.0381 20441.4522 14489.2229 240.0779 -203655.0033 2559.7562 0.0000 0.0000 51886.4172 -110028.0388 298.1920 -161914.4560 -109664.2019 298.1067 -91.6996 -66.7428 761130.7339 5.4940 5.7300 PRESSURE: 1417400 -134.79 110.265 129.989 110.266 4.63069 -56.2747 129.988 -56.2746 20.5229 GPRESSURE: 1417400 -166.654 60.6935 54.2504 184.726 91.427 -20.1502 56.7822 -65.1695 29.9977 PRESSAVG: 1417400 -16.0243 -19.6236 27.1585 -19.6236 -16.3572 -22.7328 27.1585 -22.7328 -5.50895 GPRESSAVG: 1417400 -15.6402 -20.9772 27.9886 -17.65 -17.2241 -23.1822 25.3079 -24.8874 -5.16262 TIMING: 1417400 CPU: 4466.17, 0.00315674/step Wall: 4466.17, 0.00315674/step, 3.14148 hours remaining, 238.554688 MB of memory in use. ENERGY: 1417400 3913.7236 20587.2611 14510.3913 259.8352 -203474.6148 2424.5842 0.0000 0.0000 51865.7644 -109913.0550 298.0733 -161778.8194 -109549.7840 297.8567 -36.5455 -15.0764 762135.6384 -12.6302 -12.6757 PRESSURE: 1417600 -23.4093 -151.749 192.319 -151.748 -328.434 -31.5307 192.319 -31.5303 -189.024 GPRESSURE: 1417600 -24.8906 -155.534 100.756 -234.909 -289.536 -102.526 111.606 6.35694 -148 PRESSAVG: 1417600 -3.5963 -93.5412 -2.17005 -93.5412 -34.5476 12.2366 -2.17006 12.2365 -15.3514 GPRESSAVG: 1417600 -3.25154 -92.9606 -3.60502 -96.1858 -35.4071 9.94392 -2.68035 13.4923 -14.939 TIMING: 1417600 CPU: 4466.8, 0.00315433/step Wall: 4466.8, 0.00315433/step, 3.13891 hours remaining, 238.554688 MB of memory in use. ENERGY: 1417600 3989.8788 20578.7788 14483.4082 240.8854 -203207.1623 2272.1255 0.0000 0.0000 51943.1615 -109698.9241 298.5181 -161642.0856 -109322.8629 298.6511 -180.2892 -154.1422 762291.9795 -17.8318 -17.8659 PRESSURE: 1417800 -79.7796 -69.6246 -229.145 -69.624 -70.8495 149.609 -229.144 149.608 -68.7483 GPRESSURE: 1417800 -65.3245 -68.1877 -251.412 -75.98 -97.8142 126.982 -117.479 110.857 30.8126 PRESSAVG: 1417800 -51.9846 -41.3453 -21.9862 -41.3453 51.6488 -57.4275 -21.9862 -57.4275 15.7659 GPRESSAVG: 1417800 -52.0028 -42.028 -20.7097 -40.1404 53.6192 -56.2657 -20.7262 -56.6248 14.3543 TIMING: 1417800 CPU: 4467.43, 0.00313336/step Wall: 4467.43, 0.00313336/step, 3.11787 hours remaining, 238.554688 MB of memory in use. ENERGY: 1417800 4034.6245 20462.7369 14391.5643 234.9158 -203290.5501 2461.9279 0.0000 0.0000 51950.0216 -109754.7590 298.5575 -161704.7806 -109387.7478 298.8496 -73.1258 -44.1087 760782.9721 5.1434 5.3236 PRESSURE: 1418000 -174.209 -10.4771 129.16 -10.4766 176.227 -93.0692 129.16 -93.0697 174.518 GPRESSURE: 1418000 -148.653 63.1483 131.978 129.704 248.471 -115.693 118.346 -130.323 140.459 PRESSAVG: 1418000 -31.6189 21.0279 47.5721 21.0278 37.1681 21.2736 47.572 21.2735 -14.162 GPRESSAVG: 1418000 -31.1627 20.8057 48.5762 22.0916 35.6507 21.6057 46.9127 19.0916 -13.6648 TIMING: 1418000 CPU: 4468.06, 0.00315896/step Wall: 4468.06, 0.00315896/step, 3.14317 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1418000 3897.9417 20587.4318 14470.9355 244.2035 -203439.6930 2602.8349 0.0000 0.0000 52021.6850 -109614.6606 298.9693 -161636.3455 -109244.4527 298.9108 58.8451 80.0921 761439.8821 -2.8709 -3.0589 PRESSURE: 1418200 -147.127 5.95567 8.8607 5.9552 -163.1 -3.45274 8.86045 -3.45359 -259.519 GPRESSURE: 1418200 -142.54 68.6698 33.4074 31.5806 -64.7525 -71.3696 36.2542 56.7432 -286.192 PRESSAVG: 1418200 -20.6103 14.2211 12.5008 14.221 28.7532 -27.0387 12.5008 -27.0387 11.6432 GPRESSAVG: 1418200 -19.9532 13.1145 11.7054 13.1125 28.7211 -28.1175 11.5917 -23.8328 11.1273 TIMING: 1418200 CPU: 4468.69, 0.00313455/step Wall: 4468.69, 0.00313455/step, 3.1187 hours remaining, 238.554688 MB of memory in use. ENERGY: 1418200 3909.4080 20767.5606 14491.8347 249.7308 -203258.4353 2258.1092 0.0000 0.0000 51908.1741 -109673.6180 298.3170 -161581.7921 -109314.3858 298.8075 -189.9154 -164.4947 759812.9639 6.5953 6.6317 PRESSURE: 1418400 22.4423 135.694 40.0857 135.694 64.8907 -7.74043 40.0854 -7.74131 148.747 GPRESSURE: 1418400 99.2646 -17.67 -44.4527 157.656 86.6747 73.5223 74.7968 22.1121 119.218 PRESSAVG: 1418400 29.9034 -28.5045 82.6735 -28.5045 -5.29151 -8.38452 82.6735 -8.38444 4.10494 GPRESSAVG: 1418400 29.4897 -28.5651 82.1575 -26.8409 -6.0679 -7.179 84.8283 -9.27236 5.56404 TIMING: 1418400 CPU: 4469.31, 0.00312696/step Wall: 4469.31, 0.00312696/step, 3.11098 hours remaining, 238.554688 MB of memory in use. ENERGY: 1418400 3958.2798 20710.6030 14458.9324 244.9887 -203536.2250 2618.3413 0.0000 0.0000 52008.6530 -109536.4266 298.8944 -161545.0796 -109180.1808 299.3933 78.6933 101.7190 759291.9439 9.5723 9.6619 PRESSURE: 1418600 -116.874 -127.169 -244.133 -127.169 60.0424 -167.083 -244.134 -167.083 -339.782 GPRESSURE: 1418600 -15.5283 -61.0767 -298.225 -216.989 50.5764 -136.072 -171.16 -94.1986 -340.962 PRESSAVG: 1418600 2.73353 -4.89579 -3.55616 -4.89583 17.859 -21.1105 -3.55616 -21.1105 -5.45477 GPRESSAVG: 1418600 2.45946 -5.0738 -4.75763 -6.70854 18.057 -23.1698 -3.71544 -21.7392 -5.47866 TIMING: 1418600 CPU: 4469.94, 0.00315084/step Wall: 4469.94, 0.00315084/step, 3.13456 hours remaining, 238.554688 MB of memory in use. ENERGY: 1418600 4067.7811 20575.7324 14533.0470 234.9715 -203493.2626 2647.7135 0.0000 0.0000 52070.9672 -109363.0499 299.2526 -161434.0171 -109006.1141 299.7559 -132.2045 -101.9715 760608.4080 5.0459 5.0126 PRESSURE: 1418800 -182.646 140.223 -190.017 140.223 64.1131 12.0211 -190.017 12.0215 199.965 GPRESSURE: 1418800 -216.961 184.746 -90.0021 105.652 109.698 2.25932 -137.311 -5.76112 264.099 PRESSAVG: 1418800 60.885 -0.506708 2.23733 -0.506719 -41.0406 -28.5057 2.23732 -28.5057 -1.55579 GPRESSAVG: 1418800 60.579 -0.522616 5.66536 -0.276475 -39.8824 -27.0461 -0.0781118 -27.6194 -2.56276 TIMING: 1418800 CPU: 4470.57, 0.00314117/step Wall: 4470.57, 0.00314118/step, 3.12477 hours remaining, 238.554688 MB of memory in use. ENERGY: 1418800 3977.8803 20574.3203 14430.8161 251.6551 -202921.9833 2329.3366 0.0000 0.0000 52010.9023 -109347.0725 298.9074 -161357.9748 -108990.6234 299.9737 27.1441 52.2788 761551.7455 6.0962 6.0446 PRESSURE: 1419000 138.629 -103.734 -162.056 -103.733 28.7854 96.5149 -162.055 96.5143 -230.721 GPRESSURE: 1419000 200.813 -150.803 -244.459 -82.7022 67.5352 103.236 -197.532 -31.2965 -253.544 PRESSAVG: 1419000 27.3486 5.06209 16.1442 5.06221 -18.0976 20.3094 16.1442 20.3094 26.0118 GPRESSAVG: 1419000 27.6558 5.41811 14.4731 5.98183 -18.3866 19.8876 16.977 18.9359 25.8474 TIMING: 1419000 CPU: 4471.2, 0.00313031/step Wall: 4471.2, 0.00313031/step, 3.11379 hours remaining, 238.554688 MB of memory in use. ENERGY: 1419000 3981.1108 20552.6483 14497.4552 256.6277 -202942.3925 2406.1945 0.0000 0.0000 51899.0476 -109349.3084 298.2645 -161248.3561 -108994.9355 299.3456 -21.1019 4.9349 761038.3661 11.7543 11.7055 PRESSURE: 1419200 38.6643 -68.3532 -110.72 -68.3532 -153.165 48.1548 -110.719 48.1549 -420.084 GPRESSURE: 1419200 123.607 -163.829 -54.9676 -47.4368 -178.685 46.0421 -82.0418 -83.9997 -394.883 PRESSAVG: 1419200 30.343 16.8859 19.5277 16.8859 -14.0145 -15.4246 19.5277 -15.4246 -14.5006 GPRESSAVG: 1419200 30.778 16.3559 20.0341 16.6894 -14.3325 -14.6787 18.1638 -16.5892 -15.3838 TIMING: 1419200 CPU: 4471.82, 0.00313335/step Wall: 4471.82, 0.00313335/step, 3.11664 hours remaining, 238.554688 MB of memory in use. ENERGY: 1419200 4052.5977 20558.6784 14428.6768 249.7453 -202933.6798 2400.2433 0.0000 0.0000 51887.3643 -109356.3740 298.1974 -161243.7383 -108992.1237 299.1759 -178.1949 -149.9871 763584.1376 0.6093 0.3539 PRESSURE: 1419400 247.053 21.2607 18.3493 21.2615 261.559 -85.803 18.3496 -85.8029 430.564 GPRESSURE: 1419400 278.23 -16.6644 114.6 51.4129 304.638 -55.7013 -1.1931 -5.19666 430.566 PRESSAVG: 1419400 26.7905 -0.311678 9.33549 -0.31172 -15.1136 45.0981 9.33548 45.0981 -4.14989 GPRESSAVG: 1419400 26.7942 2.01022 10.3905 -2.03289 -15.9327 45.2515 6.34471 46.7124 -3.07775 TIMING: 1419400 CPU: 4472.45, 0.00313653/step Wall: 4472.45, 0.00313653/step, 3.11963 hours remaining, 238.554688 MB of memory in use. ENERGY: 1419400 3921.6463 20455.5430 14423.0551 277.0506 -203513.7100 2819.7177 0.0000 0.0000 52092.4614 -109524.2359 299.3761 -161616.6974 -109173.1632 298.6315 313.0590 337.8116 761329.9797 2.5090 2.5946 PRESSURE: 1419600 -310.22 135.266 -116.889 135.266 -37.0376 57.5755 -116.888 57.5752 -262.456 GPRESSURE: 1419600 -235.028 157.906 -191.541 35.9967 -38.8478 85.6839 -117.208 128.834 -237.316 PRESSAVG: 1419600 27.1052 6.91514 -25.1234 6.91521 -24.5643 6.92322 -25.1234 6.9232 10.0945 GPRESSAVG: 1419600 26.9913 7.39136 -26.8158 6.72935 -24.7596 6.79247 -22.2132 6.69197 10.6614 TIMING: 1419600 CPU: 4473.08, 0.00316268/step Wall: 4473.08, 0.00316268/step, 3.14546 hours remaining, 238.554688 MB of memory in use. ENERGY: 1419600 3965.7034 20546.9837 14424.4143 250.0977 -203273.4744 2433.9614 0.0000 0.0000 51964.8642 -109687.4497 298.6428 -161652.3139 -109321.2929 298.2718 -203.2379 -170.3973 762555.5750 4.2118 4.2977 PRESSURE: 1419800 93.6126 56.0444 216.132 56.0439 100.743 240.773 216.132 240.774 -33.4537 GPRESSURE: 1419800 119.476 -12.5037 243.558 -93.4437 172.417 182.662 198.97 206.645 -45.6509 PRESSAVG: 1419800 -40.1908 -16.1995 -66.2091 -16.1996 12.9368 -25.0535 -66.2091 -25.0535 -17.3959 GPRESSAVG: 1419800 -40.4186 -17.6525 -63.568 -15.6842 13.2633 -24.763 -65.9013 -25.7586 -17.889 TIMING: 1419800 CPU: 4473.71, 0.00312549/step Wall: 4473.71, 0.00312549/step, 3.1083 hours remaining, 238.554688 MB of memory in use. ENERGY: 1419800 4022.6363 20416.8312 14472.8249 237.1349 -203161.5941 2520.5098 0.0000 0.0000 51978.7925 -109512.8644 298.7228 -161491.6569 -109149.0235 298.1667 53.6340 82.0806 761493.4608 -14.8833 -15.0147 PRESSURE: 1420000 121.935 153.875 81.3011 153.875 -24.9628 -362.558 81.3008 -362.559 -57.9843 GPRESSURE: 1420000 105.297 -22.0801 36.1652 25.0041 100.843 -322.648 179.227 -296.762 -93.4656 PRESSAVG: 1420000 21.8897 45.2892 15.0781 45.2892 -22.1486 40.5711 15.078 40.571 14.2792 GPRESSAVG: 1420000 21.8638 45.0218 12.3535 44.2479 -21.6482 39.3782 15.6254 42.2238 13.2194 TIMING: 1420000 CPU: 4474.34, 0.00314493/step Wall: 4474.34, 0.00314493/step, 3.12746 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1420000 3900.6614 20516.0933 14472.0375 271.3418 -203138.6328 2534.6261 0.0000 0.0000 51947.5867 -109496.2859 298.5435 -161443.8726 -109141.8014 298.9220 12.9961 37.5580 760393.4482 4.6734 4.4784 PRESSURE: 1420200 101.925 231.339 -278.16 231.338 62.4206 113.351 -278.16 113.352 -110.396 GPRESSURE: 1420200 120.479 136.372 -262.714 135.161 41.2398 167.874 -128.627 93.902 -46.8722 PRESSAVG: 1420200 -69.5415 -7.39708 -42.7226 -7.39707 39.4403 -4.98189 -42.7226 -4.98196 -13.7761 GPRESSAVG: 1420200 -69.1683 -5.5945 -43.072 -7.02945 39.0946 -4.53762 -42.9686 -5.60023 -13.5358 TIMING: 1420200 CPU: 4474.97, 0.00314795/step Wall: 4474.97, 0.00314796/step, 3.13029 hours remaining, 238.554688 MB of memory in use. ENERGY: 1420200 3989.0046 20512.8025 14425.6831 237.6488 -203412.0190 2518.6996 0.0000 0.0000 51974.9309 -109753.2494 298.7006 -161728.1803 -109393.4751 299.4434 17.9833 38.2822 760759.9672 -14.6258 -14.5365 LDB: ============= START OF LOAD BALANCING ============== 4487.36 LDB: ============== END OF LOAD BALANCING =============== 4487.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4487.36 LDB: ============= START OF LOAD BALANCING ============== 4487.68 LDB: Largest compute 7031 load 0.033347 is 17.0% of average load 0.195903 LDB: Average compute 0.004382 is 2.2% of average load 0.195903 LDB: TIME 4487.68 LOAD: AVG 0.195903 MAX 0.215878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 4487.68 LOAD: AVG 0.195903 MAX 0.215878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 4487.68 LOAD: AVG 0.195903 MAX 0.215878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 4487.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4487.69 PRESSURE: 1420400 -94.102 132.15 -252.469 132.151 -111.739 72.4824 -252.468 72.4814 230.38 GPRESSURE: 1420400 -56.4654 115.625 -220.928 -9.18982 -98.3779 26.7678 -180.504 70.5555 247.634 PRESSAVG: 1420400 19.3446 -45.9008 -36.4096 -45.9008 7.16498 27.5304 -36.4096 27.5304 23.8592 GPRESSAVG: 1420400 19.5275 -47.8252 -35.2348 -44.4004 6.5897 27.6159 -35.5141 29.9065 23.8329 TIMING: 1420400 CPU: 4475.61, 0.00320876/step Wall: 4475.61, 0.00320876/step, 3.19057 hours remaining, 239.238281 MB of memory in use. ENERGY: 1420400 4025.3044 20526.1579 14436.6807 243.5004 -203878.4247 2742.0569 0.0000 0.0000 51965.3829 -109939.3416 298.6458 -161904.7244 -109569.6448 298.6924 8.1797 30.9301 758797.2011 16.7896 16.6500 PRESSURE: 1420600 312.826 -29.4406 175.363 -29.4408 -1.91653 -76.4313 175.363 -76.4309 -203.452 GPRESSURE: 1420600 368.597 5.26786 229.572 -2.70457 0.868721 -19.8903 -45.4199 -183.919 -161.025 PRESSAVG: 1420600 54.6996 -39.4077 -60.2293 -39.4077 -31.7318 11.0543 -60.2293 11.0542 -4.37227 GPRESSAVG: 1420600 52.669 -37.8353 -58.7213 -40.9463 -30.4793 10.8901 -62.155 10.4706 -3.4264 TIMING: 1420600 CPU: 4476.24, 0.00314606/step Wall: 4476.24, 0.00314606/step, 3.12806 hours remaining, 239.304688 MB of memory in use. ENERGY: 1420600 3927.9878 20547.7532 14464.6411 246.8213 -203938.5084 2838.0472 0.0000 0.0000 52097.1730 -109816.0847 299.4032 -161913.2577 -109456.0631 298.3997 35.8191 69.4802 760070.5567 6.1985 6.2544 PRESSURE: 1420800 65.4925 11.6273 190.491 11.6278 228.294 136.886 190.492 136.886 7.44483 GPRESSURE: 1420800 51.293 -23.9294 111.223 -103.96 252.116 187.681 197.149 12.9695 85.6782 PRESSAVG: 1420800 47.3772 -24.5971 -30.3468 -24.5971 10.9196 -4.63137 -30.3468 -4.63139 -16.4027 GPRESSAVG: 1420800 49.2763 -26.6646 -32.5446 -23.0155 10.2615 -4.60422 -28.9988 -6.81183 -17.6283 TIMING: 1420800 CPU: 4476.86, 0.00313032/step Wall: 4476.86, 0.00313032/step, 3.11223 hours remaining, 239.304688 MB of memory in use. ENERGY: 1420800 4026.3009 20440.4985 14424.3522 251.5357 -203777.9678 2778.5053 0.0000 0.0000 52084.4380 -109772.3372 299.3300 -161856.7752 -109415.2865 298.7166 100.4104 129.6957 760242.1789 13.9647 13.9698 PRESSURE: 1421000 -172.459 58.1084 -113.296 58.1077 -504.561 38.7471 -113.296 38.7463 243.681 GPRESSURE: 1421000 -238.646 170.75 -125.569 214.548 -340.038 -84.453 -115.147 62.2809 241.851 PRESSAVG: 1421000 9.4522 42.8892 -58.9532 42.8892 -26.5796 -39.4731 -58.9532 -39.473 -16.1592 GPRESSAVG: 1421000 10.2956 43.8843 -57.4154 42.178 -26.7464 -40.8416 -59.9423 -38.0517 -16.8112 TIMING: 1421000 CPU: 4477.49, 0.00313178/step Wall: 4477.49, 0.00313178/step, 3.11351 hours remaining, 239.304688 MB of memory in use. ENERGY: 1421000 3991.8614 20522.6530 14457.7775 230.9886 -203060.9681 2204.9383 0.0000 0.0000 51821.7749 -109830.9744 297.8205 -161652.7493 -109459.5202 298.8141 -144.4463 -112.2777 761154.3150 -11.0955 -11.0873 PRESSURE: 1421200 15.1651 148.045 -98.1178 148.044 -71.0407 -276.374 -98.1187 -276.375 88.2498 GPRESSURE: 1421200 3.08967 147.181 -53.8901 124.882 57.1286 -153.847 -84.4839 -53.0865 49.6356 PRESSAVG: 1421200 12.7214 -11.1843 -65.7017 -11.1844 -39.4621 6.09649 -65.7017 6.09654 4.05341 GPRESSAVG: 1421200 10.8785 -10.7399 -68.1638 -10.3619 -37.6912 7.4275 -63.5584 5.49012 3.75576 TIMING: 1421200 CPU: 4478.12, 0.00313621/step Wall: 4478.12, 0.00313621/step, 3.11774 hours remaining, 239.304688 MB of memory in use. ENERGY: 1421200 3989.7761 20370.7305 14469.3043 261.8309 -203470.3522 2535.8520 0.0000 0.0000 52218.4778 -109624.3805 300.1003 -161842.8583 -109256.7647 298.8247 10.7914 36.6180 760923.6860 -7.5624 -7.6857 PRESSURE: 1421400 -106.503 -4.59657 226.228 -4.59723 -275 -112.773 226.227 -112.773 -50.2529 GPRESSURE: 1421400 -43.6051 43.6213 140.51 35.09 -218.656 -40.5322 228.319 -190.608 -89.7775 PRESSAVG: 1421400 -0.159575 0.511916 -69.1979 0.511818 7.13026 -21.0896 -69.1978 -21.0897 12.4208 GPRESSAVG: 1421400 -0.0956782 1.03949 -68.5422 -0.791715 5.58196 -21.2935 -70.6919 -22.2679 12.8861 TIMING: 1421400 CPU: 4478.75, 0.00315218/step Wall: 4478.75, 0.00315218/step, 3.13344 hours remaining, 239.304688 MB of memory in use. ENERGY: 1421400 3970.5634 20495.0582 14487.2997 238.8841 -203204.5899 2206.9399 0.0000 0.0000 52190.1100 -109615.7346 299.9373 -161805.8446 -109250.6685 299.2886 -143.9186 -117.3463 761787.9781 6.4638 6.1241 PRESSURE: 1421600 -218.643 129.323 21.7309 129.324 65.6337 21.5144 21.731 21.515 -298.542 GPRESSURE: 1421600 -128.851 245.249 -13.1196 77.892 43.6475 72.0833 -84.1752 133.281 -272.643 PRESSAVG: 1421600 22.3267 8.30911 -71.8866 8.3091 -14.3845 -10.9454 -71.8866 -10.9453 -8.94554 GPRESSAVG: 1421600 21.9968 6.47864 -70.6861 9.95956 -14.5568 -10.9332 -70.6598 -9.42168 -7.85963 TIMING: 1421600 CPU: 4479.37, 0.00313218/step Wall: 4479.37, 0.00313218/step, 3.11338 hours remaining, 239.304688 MB of memory in use. ENERGY: 1421600 3966.1700 20591.3233 14421.1170 245.8327 -203111.6551 2299.4138 0.0000 0.0000 51907.2704 -109680.5278 298.3118 -161587.7982 -109316.1067 298.9005 -150.5170 -119.2824 761277.3578 -0.3344 -0.1399 PRESSURE: 1421800 40.3662 -117.025 32.6337 -117.025 -28.363 104.408 32.6344 104.407 174.251 GPRESSURE: 1421800 154.206 -6.65669 -48.6209 -155.493 -94.9949 71.0114 -91.5874 45.1389 206.386 PRESSAVG: 1421800 -73.5661 -0.415978 -46.7796 -0.41599 48.2229 11.0784 -46.7796 11.0784 4.77327 GPRESSAVG: 1421800 -72.1114 0.0573216 -49.5801 -0.347687 47.8492 10.6062 -48.1819 10.1413 4.30175 TIMING: 1421800 CPU: 4480, 0.00313699/step Wall: 4480, 0.00313698/step, 3.11799 hours remaining, 239.304688 MB of memory in use. ENERGY: 1421800 4052.2515 20538.5270 14476.3128 252.3387 -203480.0229 2527.5116 0.0000 0.0000 51975.4608 -109657.6206 298.7037 -161633.0813 -109293.7090 299.0909 62.0848 88.5325 760965.9167 -6.8567 -6.6535 PRESSURE: 1422000 303.605 -25.0369 -138.936 -25.0372 -141.574 18.1679 -138.935 18.1676 257.919 GPRESSURE: 1422000 269.357 -52.542 -99.3425 -29.4523 -7.28638 11.7217 -143.174 -34.2607 250.843 PRESSAVG: 1422000 5.34426 -46.4637 -94.2376 -46.4637 58.5317 0.0371662 -94.2376 0.0371567 5.29431 GPRESSAVG: 1422000 5.96595 -44.5926 -92.1006 -48.1503 58.2675 1.9945 -93.3029 -1.90244 5.02308 TIMING: 1422000 CPU: 4480.63, 0.00314391/step Wall: 4480.63, 0.00314391/step, 3.1247 hours remaining, 239.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1422000 4003.0057 20468.5402 14539.1101 266.5134 -203499.1264 2547.3234 0.0000 0.0000 52140.6392 -109533.9944 299.6530 -161674.6336 -109176.0064 299.1953 139.9832 170.9714 759384.5343 23.0568 23.0855 PRESSURE: 1422200 -368.995 -106.707 258.612 -106.707 -319.256 42.5787 258.611 42.5784 -238.455 GPRESSURE: 1422200 -385.859 -21.5427 289.05 65.399 -253.422 92.9719 184.327 28.4172 -205.257 PRESSAVG: 1422200 -20.6335 -6.53988 25.2992 -6.5398 -16.809 -51.3729 25.2991 -51.3728 -1.31054 GPRESSAVG: 1422200 -21.8597 -8.0452 24.3046 -4.86173 -15.7536 -52.4211 24.4971 -47.9641 -1.70577 TIMING: 1422200 CPU: 4481.26, 0.00315843/step Wall: 4481.26, 0.00315843/step, 3.13896 hours remaining, 239.304688 MB of memory in use. ENERGY: 1422200 4005.4914 20711.7628 14442.7970 272.7314 -203571.8640 2784.6379 0.0000 0.0000 51924.8158 -109429.6278 298.4126 -161354.4436 -109075.0035 299.2299 -308.9022 -281.5125 762399.8891 -12.9177 -13.1064 PRESSURE: 1422400 -19.931 197.466 -37.7198 197.465 -142.026 225.726 -37.72 225.726 224.766 GPRESSURE: 1422400 10.7503 154.37 -13.2733 60.6244 -104.788 139.547 -118.547 126.244 226.276 PRESSAVG: 1422400 32.7582 29.9747 -13.5623 29.9747 -16.3553 -6.91461 -13.5623 -6.91469 -23.1015 GPRESSAVG: 1422400 32.2476 31.3779 -14.4425 26.4773 -16.3951 -7.1354 -12.5713 -9.03703 -22.5442 TIMING: 1422400 CPU: 4481.89, 0.00314028/step Wall: 4481.89, 0.00314028/step, 3.12074 hours remaining, 239.304688 MB of memory in use. ENERGY: 1422400 3998.6444 20602.9198 14356.1493 244.9402 -203345.0723 2474.9520 0.0000 0.0000 52027.6099 -109639.8567 299.0034 -161667.4666 -109275.9594 299.1652 20.9362 44.0794 760556.3063 -2.2328 -2.2306 PRESSURE: 1422600 217.927 49.5219 -47.8717 49.5212 -162.766 195.941 -47.8713 195.942 245.629 GPRESSURE: 1422600 213.83 -28.9375 -65.4192 116.512 -49.3455 263.46 -57.4196 182.487 225.746 PRESSAVG: 1422600 -47.6125 -5.83072 0.781111 -5.83078 12.373 12.557 0.781093 12.557 -14.6825 GPRESSAVG: 1422600 -47.6217 -6.88567 1.4877 -5.49068 11.5084 11.2989 0.624538 13.436 -14.1389 TIMING: 1422600 CPU: 4482.51, 0.00312373/step Wall: 4482.51, 0.00312373/step, 3.10412 hours remaining, 239.304688 MB of memory in use. ENERGY: 1422600 3927.5942 20535.3785 14419.6269 233.4992 -203043.1871 2450.8996 0.0000 0.0000 51762.3326 -109713.8562 297.4788 -161476.1888 -109352.7064 299.1134 100.2633 130.0768 760970.5108 -16.6407 -16.7507 PRESSURE: 1422800 -506.56 -45.4573 -34.5074 -45.4573 -122.738 56.7029 -34.508 56.7024 143.703 GPRESSURE: 1422800 -360.768 -45.9662 32.6573 -5.54475 -119.503 70.0354 -116.902 -24.1489 65.2527 PRESSAVG: 1422800 -2.82635 -3.27511 -13.8636 -3.27508 11.1623 -42.3826 -13.8635 -42.3826 12.6305 GPRESSAVG: 1422800 -1.74162 -4.14923 -13.5028 -0.311166 10.5345 -41.0891 -16.2192 -42.9624 12.3132 TIMING: 1422800 CPU: 4483.14, 0.00314084/step Wall: 4483.14, 0.00314084/step, 3.12095 hours remaining, 239.304688 MB of memory in use. ENERGY: 1422800 3953.9151 20470.2571 14409.4330 243.5620 -203082.5444 2366.0856 0.0000 0.0000 51731.3501 -109907.9416 297.3008 -161639.2916 -109546.4206 298.2172 -161.8651 -138.3393 762917.6637 6.9888 7.0354 PRESSURE: 1423000 -422.999 -92.0703 98.4955 -92.0708 -90.9797 -117.133 98.4957 -117.133 157.728 GPRESSURE: 1423000 -395.886 -102.775 83.1773 -97.8486 -70.9779 -92.3702 127.568 -103.573 179.628 PRESSAVG: 1423000 -22.7237 13.967 -5.93299 13.967 42.9425 -29.3691 -5.933 -29.3691 -38.4702 GPRESSAVG: 1423000 -23.1129 13.8659 -5.04727 12.8231 43.1202 -28.937 -4.4956 -30.3967 -38.4339 TIMING: 1423000 CPU: 4483.77, 0.003148/step Wall: 4483.77, 0.003148/step, 3.12789 hours remaining, 239.304688 MB of memory in use. ENERGY: 1423000 3990.0337 20482.1542 14422.6038 225.0005 -203533.4285 2804.4498 0.0000 0.0000 51785.4473 -109823.7392 297.6117 -161609.1865 -109466.1395 298.2908 -118.7502 -95.7454 762776.0644 -6.0838 -6.1422 PRESSURE: 1423200 -552.478 42.4634 271.458 42.4642 -345.695 41.9861 271.457 41.9862 -226.458 GPRESSURE: 1423200 -465.799 -41.6921 309.387 43.9563 -424.344 81.3883 265.381 135.202 -145.982 PRESSAVG: 1423200 14.9229 -1.67706 45.7548 -1.67698 1.66984 -28.5073 45.7548 -28.5073 0.281656 GPRESSAVG: 1423200 14.1092 0.535911 44.437 -3.15291 2.77368 -30.4888 44.8503 -27.6651 -0.478158 TIMING: 1423200 CPU: 4484.4, 0.00314078/step Wall: 4484.4, 0.00314078/step, 3.12054 hours remaining, 239.304688 MB of memory in use. ENERGY: 1423200 4049.8247 20535.7431 14431.8825 249.6575 -203023.1386 2301.6640 0.0000 0.0000 51802.5634 -109651.8034 297.7100 -161454.3668 -109295.9585 298.7054 -374.8771 -345.3750 763323.4384 5.6248 5.4682 PRESSURE: 1423400 14.8291 -192.051 227.472 -192.051 193.476 -127.398 227.473 -127.399 -122.86 GPRESSURE: 1423400 45.9348 -62.0093 250.274 -155.683 252.228 -237.944 260.985 -198.872 -131.854 PRESSAVG: 1423400 -40.3602 -21.1095 22.2526 -21.1095 20.8955 1.86889 22.2526 1.86882 -26.2313 GPRESSAVG: 1423400 -39.4789 -21.3138 22.5999 -20.8668 18.7878 2.7369 22.0499 2.19292 -25.0043 TIMING: 1423400 CPU: 4485.03, 0.00315547/step Wall: 4485.03, 0.00315547/step, 3.13496 hours remaining, 239.304688 MB of memory in use. ENERGY: 1423400 3930.0400 20404.5266 14359.5775 261.6365 -203439.0109 2615.5426 0.0000 0.0000 52231.8366 -109635.8510 300.1771 -161867.6876 -109271.5531 299.2237 28.4817 55.4362 761989.5012 -15.2320 -15.2318 PRESSURE: 1423600 65.9882 66.4445 -29.7714 66.4443 80.7889 40.1527 -29.7719 40.1517 137.932 GPRESSURE: 1423600 123.797 -31.1005 45.8563 86.7254 95.9449 75.6896 -204.439 71.6696 145.713 PRESSAVG: 1423600 27.6386 7.07856 -6.1958 7.07855 -11.5501 31.0911 -6.19577 31.0911 -8.81327 GPRESSAVG: 1423600 26.8768 7.4208 -3.68811 9.53275 -11.0059 31.6002 -4.88238 30.6836 -8.86808 TIMING: 1423600 CPU: 4485.66, 0.00314351/step Wall: 4485.66, 0.00314351/step, 3.1229 hours remaining, 239.304688 MB of memory in use. ENERGY: 1423600 3965.6913 20368.4052 14387.9286 258.4258 -202931.8126 2438.4880 0.0000 0.0000 51970.3976 -109542.4760 298.6746 -161512.8736 -109177.4049 299.1713 94.9031 121.8183 761711.7443 2.4251 2.3343 PRESSURE: 1423800 -161.686 47.256 -78.4684 47.2559 269.482 53.7562 -78.4681 53.7555 442.333 GPRESSURE: 1423800 -132.276 19.9223 -47.7618 29.1061 268.162 17.759 -102.067 189.523 503.057 PRESSAVG: 1423800 13.2978 45.9547 18.7291 45.9546 -38.0396 4.0351 18.7291 4.03511 20.696 GPRESSAVG: 1423800 13.8191 45.2723 15.8063 43.441 -38.3151 5.42795 18.3423 5.02777 20.4048 TIMING: 1423800 CPU: 4486.29, 0.00317084/step Wall: 4486.29, 0.00317084/step, 3.14988 hours remaining, 239.304688 MB of memory in use. ENERGY: 1423800 3999.4368 20465.4847 14441.3859 240.9848 -203298.0416 2770.7329 0.0000 0.0000 52058.5123 -109321.5041 299.1810 -161380.0165 -108957.5000 299.3597 183.3764 212.9811 760194.5047 -1.3486 -1.3637 PRESSURE: 1424000 -87.7291 25.5441 96.1191 25.5445 -199.301 183.697 96.1192 183.696 -209.769 GPRESSURE: 1424000 -43.6276 75.7067 124.62 52.2935 -133.235 40.3854 144.089 47.0115 -244.038 PRESSAVG: 1424000 24.9405 66.5657 12.7108 66.5657 -14.4384 -34.4271 12.7108 -34.4271 7.45646 GPRESSAVG: 1424000 25.2509 65.647 13.5584 67.9555 -14.7717 -36.5819 14.6407 -33.3245 6.98431 TIMING: 1424000 CPU: 4486.93, 0.00315723/step Wall: 4486.93, 0.00315723/step, 3.13618 hours remaining, 239.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1424000 3966.2139 20320.1679 14458.6699 225.7974 -203360.1609 2684.0101 0.0000 0.0000 52065.3839 -109639.9179 299.2205 -161705.3018 -109278.7327 299.4423 -165.5995 -140.3001 762460.1501 5.9862 5.8212 PRESSURE: 1424200 -456.138 -102.403 -35.1785 -102.402 -261.057 -7.16553 -35.1788 -7.1654 -467.04 GPRESSURE: 1424200 -336.378 -148.77 -133.866 -97.8884 -296.473 3.10886 -67.3264 8.09235 -465.666 PRESSAVG: 1424200 45.7775 39.4422 -13.009 39.4422 -24.175 -30.1869 -13.0091 -30.187 11.007 GPRESSAVG: 1424200 45.8494 38.9635 -13.639 40.1075 -24.9599 -30.1238 -14.3816 -32.5504 10.9452 TIMING: 1424200 CPU: 4487.56, 0.00315857/step Wall: 4487.56, 0.00315857/step, 3.13734 hours remaining, 239.304688 MB of memory in use. ENERGY: 1424200 4052.6107 20479.0595 14409.6100 260.8085 -202954.8662 2197.7295 0.0000 0.0000 51791.1887 -109763.8593 297.6447 -161555.0480 -109405.9107 298.7454 -394.7449 -366.1726 762567.2588 10.8698 10.6116 LDB: ============= START OF LOAD BALANCING ============== 4499.96 LDB: ============== END OF LOAD BALANCING =============== 4499.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4499.96 LDB: ============= START OF LOAD BALANCING ============== 4500.28 LDB: Largest compute 7031 load 0.030726 is 15.7% of average load 0.196001 LDB: Average compute 0.004370 is 2.2% of average load 0.196001 LDB: TIME 4500.28 LOAD: AVG 0.196001 MAX 0.214201 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 4500.28 LOAD: AVG 0.196001 MAX 0.214201 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: TIME 4500.28 LOAD: AVG 0.196001 MAX 0.214201 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: ============== END OF LOAD BALANCING =============== 4500.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4500.29 PRESSURE: 1424400 25.7312 -93.3791 267.594 -93.3783 -4.08581 -181.907 267.594 -181.907 -81.1874 GPRESSURE: 1424400 94.8576 -80.7387 312.186 -133.374 -21.347 -100.428 216.88 -207.502 -56.8418 PRESSAVG: 1424400 65.9465 23.444 -2.43616 23.444 -36.8194 -15.2217 -2.43619 -15.2218 16.0832 GPRESSAVG: 1424400 65.6495 23.4075 -2.4124 23.5943 -36.2395 -14.6495 -2.24728 -12.7686 15.7046 TIMING: 1424400 CPU: 4488.2, 0.00323412/step Wall: 4488.2, 0.00323412/step, 3.2122 hours remaining, 238.410156 MB of memory in use. ENERGY: 1424400 3995.0779 20424.5764 14470.5836 217.8771 -203466.9029 2618.3685 0.0000 0.0000 51934.3849 -109806.0345 298.4676 -161740.4194 -109446.0227 298.6117 -19.8473 5.5562 758409.8680 15.0701 15.0382 PRESSURE: 1424600 47.4287 -218.034 26.0117 -218.034 -201.007 168.483 26.012 168.485 -114.526 GPRESSURE: 1424600 58.2393 -254.937 22.6673 -143.495 -156.856 144.598 43.0737 77.1051 -79.8711 PRESSAVG: 1424600 56.6831 8.1388 47.2394 8.1388 -13.7232 16.4739 47.2394 16.4739 15.3363 GPRESSAVG: 1424600 55.6298 8.33992 48.4547 7.02787 -12.4159 17.7127 46.1117 11.5764 15.6072 TIMING: 1424600 CPU: 4488.84, 0.00315573/step Wall: 4488.84, 0.00315573/step, 3.13416 hours remaining, 238.613281 MB of memory in use. ENERGY: 1424600 3979.9018 20349.5131 14370.4028 246.3970 -203268.9078 2528.5617 0.0000 0.0000 52040.1986 -109753.9329 299.0757 -161794.1315 -109392.2926 298.5145 -89.3681 -59.4959 761149.6573 19.4321 19.6070 PRESSURE: 1424800 -102.823 201.544 154.423 201.543 268.383 54.7913 154.423 54.7932 59.3267 GPRESSURE: 1424800 1.53975 261.921 149.16 155.295 254.08 12.8511 78.0957 57.6756 59.5983 PRESSAVG: 1424800 7.63751 12.5431 17.9531 12.543 -19.1196 12.3951 17.9532 12.3952 0.0620253 GPRESSAVG: 1424800 8.72992 11.8608 16.1786 13.3546 -19.4734 9.45305 20.2123 17.8718 -0.671315 TIMING: 1424800 CPU: 4489.47, 0.00316233/step Wall: 4489.47, 0.00316233/step, 3.14055 hours remaining, 238.613281 MB of memory in use. ENERGY: 1424800 3989.2734 20462.1779 14443.9495 260.8632 -203371.4380 2542.1584 0.0000 0.0000 51789.9839 -109883.0317 297.6377 -161673.0156 -109514.6967 298.1025 74.9624 105.0727 760177.6171 -3.8067 -3.8049 PRESSURE: 1425000 -188.915 -115.586 -65.1837 -115.585 -617.807 -231.222 -65.1832 -231.223 -545.922 GPRESSURE: 1425000 -234.908 -56.9106 -59.7715 -196.723 -433.255 -165.533 -53.6031 -149.05 -593.034 PRESSAVG: 1425000 -30.9933 6.61777 30.0101 6.61778 15.1949 -49.2969 30.01 -49.2969 -16.7714 GPRESSAVG: 1425000 -31.6738 7.08341 29.5449 7.45969 14.8084 -48.5976 31.3329 -50.8042 -15.8961 TIMING: 1425000 CPU: 4490.1, 0.00313917/step Wall: 4490.1, 0.00313917/step, 3.11737 hours remaining, 238.613281 MB of memory in use. ENERGY: 1425000 4002.8421 20498.5845 14465.9171 267.1877 -203377.5197 2286.2029 0.0000 0.0000 52206.2697 -109650.5158 300.0301 -161856.7854 -109295.0924 298.7379 -450.8815 -420.3992 759691.8466 -10.8566 -10.9205 PRESSURE: 1425200 -369.819 -277.848 -136.906 -277.848 -186.109 -264.628 -136.906 -264.627 -191.802 GPRESSURE: 1425200 -328.333 -343.45 -106.645 -222.592 -92.9025 -302.997 -19.3064 -230.924 -243.163 PRESSAVG: 1425200 -14.2377 -6.56122 3.66212 -6.56125 47.5554 -41.6929 3.66217 -41.6928 15.2171 GPRESSAVG: 1425200 -14.0588 -7.99422 5.7855 -7.17244 47.6921 -40.5548 0.545128 -42.3035 14.7454 TIMING: 1425200 CPU: 4490.72, 0.00313336/step Wall: 4490.72, 0.00313336/step, 3.11143 hours remaining, 238.613281 MB of memory in use. ENERGY: 1425200 3991.1145 20503.8727 14395.2355 251.2769 -203047.1986 2341.2281 0.0000 0.0000 51974.7097 -109589.7612 298.6994 -161564.4709 -109238.0547 298.9743 -249.2434 -221.4663 760552.5584 16.1783 16.1263 PRESSURE: 1425400 -55.2557 -76.7961 197.413 -76.7962 8.49162 52.1077 197.413 52.1078 -85.9547 GPRESSURE: 1425400 20.8579 -17.6519 175.981 -118.914 -28.7207 45.8104 194.662 103.878 -30.4514 PRESSAVG: 1425400 -12.3797 17.499 -37.5107 17.499 22.8531 3.80133 -37.5108 3.80137 -20.0455 GPRESSAVG: 1425400 -12.8651 20.0448 -39.4933 15.7173 22.9235 3.47624 -36.6434 4.05596 -20.1825 TIMING: 1425400 CPU: 4491.35, 0.00313412/step Wall: 4491.35, 0.00313412/step, 3.112 hours remaining, 238.613281 MB of memory in use. ENERGY: 1425400 4052.1734 20490.2243 14421.3198 219.8387 -203113.9823 2565.6846 0.0000 0.0000 51889.5619 -109475.1797 298.2100 -161364.7415 -109115.5713 299.3713 -44.2396 -12.7714 760692.8561 -3.1907 -3.3747 PRESSURE: 1425600 54.7211 91.037 -136.704 91.0371 -25.3869 110.82 -136.704 110.82 102.379 GPRESSURE: 1425600 96.058 -42.8256 -159.797 167.113 31.1983 133.742 -62.86 121.159 93.0531 PRESSAVG: 1425600 -2.27311 -0.904397 -59.0687 -0.904453 35.6014 7.86087 -59.0688 7.86082 16.3885 GPRESSAVG: 1425600 -2.08055 -3.30194 -58.1065 0.374923 34.8476 6.1016 -58.3117 10.9851 17.0694 TIMING: 1425600 CPU: 4491.98, 0.0031548/step Wall: 4491.98, 0.0031548/step, 3.13237 hours remaining, 238.613281 MB of memory in use. ENERGY: 1425600 4070.4388 20427.2387 14359.6475 255.5414 -203608.6413 2744.1924 0.0000 0.0000 52155.9528 -109595.6296 299.7410 -161751.5824 -109229.9363 299.4431 43.9046 73.4365 760349.6043 16.5723 16.6121 PRESSURE: 1425800 -92.8713 26.1568 -59.9925 26.1566 83.0819 -42.5119 -59.9921 -42.5113 115.515 GPRESSURE: 1425800 -4.54388 70.7207 -93.9054 -21.4379 68.1201 -26.8317 51.2382 -37.3613 110.898 PRESSAVG: 1425800 -6.3607 80.7137 15.3537 80.7138 -46.0127 7.90757 15.3537 7.9076 13.0116 GPRESSAVG: 1425800 -6.99238 81.2325 15.0411 82.8279 -44.6232 9.72017 15.5614 5.50417 11.6182 TIMING: 1425800 CPU: 4492.61, 0.00316148/step Wall: 4492.61, 0.00316148/step, 3.13882 hours remaining, 238.613281 MB of memory in use. ENERGY: 1425800 3993.2489 20394.7127 14422.0474 249.8957 -202967.9162 2408.7362 0.0000 0.0000 51872.9254 -109626.3500 298.1144 -161499.2754 -109268.9624 298.7869 35.2420 58.1580 761587.0925 -13.1206 -13.3325 PRESSURE: 1426000 -196.653 -139.303 155.801 -139.303 -266.419 201.829 155.801 201.829 -275.509 GPRESSURE: 1426000 -180.507 -230.023 205.878 -141.793 -276.078 186.76 150.426 228.246 -194.895 PRESSAVG: 1426000 -51.9956 -6.33088 19.9285 -6.33086 57.3511 -87.5645 19.9285 -87.5645 -0.586092 GPRESSAVG: 1426000 -51.9596 -4.76924 20.8671 -8.42947 56.1546 -89.2413 19.0157 -88.3662 0.409215 TIMING: 1426000 CPU: 4493.24, 0.00314975/step Wall: 4493.24, 0.00314975/step, 3.127 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1426000 4024.9872 20459.5757 14434.5893 266.0485 -203172.8920 2419.9973 0.0000 0.0000 52099.4663 -109468.2277 299.4163 -161567.6941 -109102.1347 299.2492 -246.1933 -217.1600 761366.9358 1.5898 1.5348 PRESSURE: 1426200 -59.074 -48.8722 -69.2758 -48.8725 -72.9253 33.8653 -69.2763 33.865 33.0443 GPRESSURE: 1426200 -18.5338 -109.399 -81.4797 -4.46517 -6.4241 121.931 -67.001 -16.7352 12.0195 PRESSAVG: 1426200 -9.0207 -4.0965 42.9797 -4.09649 20.6927 -11.6789 42.9796 -11.6789 -3.10176 GPRESSAVG: 1426200 -8.21506 -4.6331 44.2934 -3.8766 20.8521 -9.31023 43.8138 -12.2253 -3.71232 TIMING: 1426200 CPU: 4493.87, 0.00314546/step Wall: 4493.87, 0.00314546/step, 3.12257 hours remaining, 238.613281 MB of memory in use. ENERGY: 1426200 4030.6062 20412.8585 14425.5092 244.3266 -203106.6662 2526.3432 0.0000 0.0000 52105.1671 -109361.8555 299.4491 -161467.0226 -108988.5374 299.3940 -32.9850 -4.3128 760894.4639 2.8568 2.9749 PRESSURE: 1426400 -54.2622 6.05378 -5.52377 6.05398 -96.8318 25.3048 -5.52336 25.3055 37.9592 GPRESSURE: 1426400 -56.296 -12.1083 38.8785 -25.1034 -106.915 23.5843 11.0332 -70.0087 121.355 PRESSAVG: 1426400 39.9918 18.4016 18.6099 18.4015 -79.8356 -6.21808 18.6098 -6.21817 -3.27594 GPRESSAVG: 1426400 39.8755 17.0526 17.1036 17.3415 -80.3507 -7.80327 19.2939 -5.91701 -2.79918 TIMING: 1426400 CPU: 4494.5, 0.00313324/step Wall: 4494.5, 0.00313324/step, 3.11027 hours remaining, 238.613281 MB of memory in use. ENERGY: 1426400 4014.9242 20303.4253 14447.8746 249.4943 -203355.0496 2613.6559 0.0000 0.0000 52261.2941 -109464.3812 300.3464 -161725.6753 -109095.3282 299.4658 -37.7116 -13.9518 762457.0044 -14.3732 -14.4248 PRESSURE: 1426600 -249.147 107.155 49.4865 107.156 16.4132 32.0844 49.487 32.0835 -365.05 GPRESSURE: 1426600 -221.061 33.2186 36.8674 70.5845 25.6539 35.9843 48.1296 242.797 -314.588 PRESSAVG: 1426600 50.3944 28.7652 -30.2697 28.7652 -18.1326 35.8791 -30.2698 35.8791 -0.517385 GPRESSAVG: 1426600 49.7256 28.6222 -30.4658 31.0582 -17.2044 36.6544 -29.9799 36.4262 -0.529432 TIMING: 1426600 CPU: 4495.13, 0.00313772/step Wall: 4495.13, 0.00313772/step, 3.11453 hours remaining, 238.613281 MB of memory in use. ENERGY: 1426600 3882.8171 20503.1746 14402.9126 253.7526 -203150.4573 2292.1711 0.0000 0.0000 52014.8627 -109800.7667 298.9301 -161815.6294 -109445.2384 298.7156 -199.2611 -169.9986 761791.8944 10.5815 10.6639 PRESSURE: 1426800 -27.6861 -120.197 285.276 -120.197 -329.128 101.909 285.276 101.91 -78.1767 GPRESSURE: 1426800 -11.2606 -87.4684 259.488 -72.8069 -237.933 92.3662 209.394 32.9229 -100.685 PRESSAVG: 1426800 -20.5033 -11.1717 -36.2912 -11.1717 3.35813 9.11135 -36.2911 9.11133 -27.5396 GPRESSAVG: 1426800 -20.0755 -9.89736 -34.6992 -11.4499 3.15192 8.64689 -38.3652 8.59967 -27.7877 TIMING: 1426800 CPU: 4495.75, 0.00313117/step Wall: 4495.75, 0.00313117/step, 3.10786 hours remaining, 238.613281 MB of memory in use. ENERGY: 1426800 3883.2022 20456.0085 14403.3977 245.2223 -203188.1813 2536.7387 0.0000 0.0000 51866.4665 -109797.1453 298.0773 -161663.6119 -109430.9659 298.3608 -144.9969 -116.6262 762335.1823 -14.8949 -14.9037 PRESSURE: 1427000 84.2123 25.8184 121.417 25.8193 -194.123 31.6851 121.418 31.686 140.675 GPRESSURE: 1427000 96.4666 51.0395 107.29 164.07 -95.6538 65.3436 72.6573 76.3844 93.2121 PRESSAVG: 1427000 -12.6747 14.994 29.2754 14.994 16.2589 3.66855 29.2754 3.66862 -7.36914 GPRESSAVG: 1427000 -12.8732 14.9194 27.921 15.648 16.4264 2.29693 29.6934 4.13905 -7.17989 TIMING: 1427000 CPU: 4496.38, 0.00313933/step Wall: 4496.38, 0.00313933/step, 3.11578 hours remaining, 238.613281 MB of memory in use. ENERGY: 1427000 3955.5526 20472.0784 14419.0411 262.5181 -203641.2248 2625.5084 0.0000 0.0000 52081.5268 -109824.9994 299.3133 -161906.5262 -109459.6706 298.8295 10.2550 31.3416 761347.5005 -1.2616 -1.2089 PRESSURE: 1427200 -116.799 32.5625 99.6815 32.5628 127.212 -88.3935 99.6819 -88.3922 527.751 GPRESSURE: 1427200 -59.9183 -69.739 124.328 4.484 170.934 -121.137 185.265 -50.7494 512.011 PRESSAVG: 1427200 -77.8058 69.8034 35.8855 69.8033 53.5398 4.65125 35.8855 4.65129 -7.75657 GPRESSAVG: 1427200 -77.6572 69.8353 34.688 67.9105 53.8089 5.82272 38.4211 6.10387 -7.89402 TIMING: 1427200 CPU: 4497.01, 0.00313351/step Wall: 4497.01, 0.00313351/step, 3.10983 hours remaining, 238.613281 MB of memory in use. ENERGY: 1427200 3939.2916 20356.7525 14495.7992 238.1197 -203518.0513 2623.9487 0.0000 0.0000 52061.3726 -109802.7671 299.1974 -161864.1397 -109429.8825 298.7221 179.3879 207.6753 760911.8248 -10.6742 -10.5808 PRESSURE: 1427400 1.24153 -159.569 -431.687 -159.569 180.314 4.45236 -431.687 4.45272 148.582 GPRESSURE: 1427400 45.1129 -121.97 -339.088 -73.0577 191.386 10.6541 -406.549 -182.6 172.02 PRESSAVG: 1427400 -9.76451 -7.16665 29.3249 -7.16669 45.8524 54.7172 29.3249 54.7172 14.771 GPRESSAVG: 1427400 -9.76811 -6.39694 30.9655 -5.39355 45.9988 53.0195 27.4998 52.6844 14.9351 TIMING: 1427400 CPU: 4497.63, 0.00313396/step Wall: 4497.63, 0.00313396/step, 3.1101 hours remaining, 238.613281 MB of memory in use. ENERGY: 1427400 3973.0483 20530.8429 14533.6543 243.8385 -203394.3288 2397.4980 0.0000 0.0000 51827.9236 -109887.5231 297.8558 -161715.4467 -109523.6420 298.6497 110.0458 136.1730 759019.6043 16.9530 17.0553 PRESSURE: 1427600 -166.944 -20.1512 114.061 -20.1511 -400.795 116.476 114.061 116.476 -234.444 GPRESSURE: 1427600 -150.856 -150.792 182.53 -57.0367 -317.021 178.367 66.3556 112.225 -255.941 PRESSAVG: 1427600 1.88121 -12.5498 -22.6597 -12.5499 14.9737 -18.6707 -22.6597 -18.6707 10.9132 GPRESSAVG: 1427600 2.09225 -14.795 -24.02 -13.9692 15.1647 -15.8939 -21.9535 -18.531 10.9381 TIMING: 1427600 CPU: 4498.26, 0.0031432/step Wall: 4498.26, 0.0031432/step, 3.1191 hours remaining, 238.613281 MB of memory in use. ENERGY: 1427600 3915.2390 20354.5110 14406.8541 252.0234 -203002.9569 2301.1595 0.0000 0.0000 51932.1437 -109841.0262 298.4547 -161773.1699 -109468.6421 298.6640 -267.3945 -241.2729 761728.4068 9.2560 9.3984 PRESSURE: 1427800 -43.2424 1.85472 28.8545 1.85435 -12.0749 -84.658 28.8548 -84.6573 421.924 GPRESSURE: 1427800 -46.147 3.37427 89.6432 110.417 60.5475 -125.252 -163.261 -174.686 446.772 PRESSAVG: 1427800 -61.6418 2.20631 -11.4102 2.20635 52.8022 -11.2978 -11.4102 -11.2977 -7.94994 GPRESSAVG: 1427800 -60.9299 3.68029 -10.7985 2.29385 52.4972 -11.5244 -12.8352 -11.0692 -8.0306 TIMING: 1427800 CPU: 4498.89, 0.00314631/step Wall: 4498.89, 0.00314631/step, 3.12202 hours remaining, 238.613281 MB of memory in use. ENERGY: 1427800 3981.1843 20541.1439 14396.5354 272.0938 -203878.8287 2705.7815 0.0000 0.0000 52135.8665 -109846.2233 299.6255 -161982.0897 -109484.5590 298.6981 122.2023 153.7241 758714.4416 -5.5965 -5.4878 PRESSURE: 1428000 -16.6298 224.878 -156.789 224.878 163.24 -151.72 -156.788 -151.721 209.74 GPRESSURE: 1428000 55.638 161.14 -112.868 209.662 244.485 -131.106 -161.872 12.169 136.85 PRESSAVG: 1428000 -56.5938 19.6813 0.189497 19.6814 51.6469 -14.8797 0.189555 -14.8798 16.4569 GPRESSAVG: 1428000 -56.6778 19.9131 -0.984207 19.7702 51.9246 -15.5009 2.10326 -12.8231 16.259 TIMING: 1428000 CPU: 4499.52, 0.00313858/step Wall: 4499.52, 0.00313858/step, 3.11417 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1428000 3980.3811 20513.8813 14483.6128 247.0512 -203858.4357 2756.7700 0.0000 0.0000 52104.6366 -109772.1026 299.4461 -161876.7393 -109411.5263 299.0883 118.7835 145.6577 758850.8919 3.8367 3.8353 PRESSURE: 1428200 -363.483 -85.8346 -113.359 -85.8349 -238.094 152.015 -113.359 152.016 -181.448 GPRESSURE: 1428200 -424.325 -147.787 -59.9751 -69.1952 -137.024 170.582 -95.8994 122.185 -121.585 PRESSAVG: 1428200 7.69699 -36.7875 -3.11971 -36.7875 -22.4813 21.02 -3.11975 21.02 4.5182 GPRESSAVG: 1428200 6.49471 -37.8926 -1.41356 -36.2175 -21.3969 20.2059 -3.24936 18.8092 4.86477 TIMING: 1428200 CPU: 4500.15, 0.00313266/step Wall: 4500.15, 0.00313267/step, 3.10813 hours remaining, 238.613281 MB of memory in use. ENERGY: 1428200 4007.5665 20465.4161 14412.1135 250.9133 -203125.5569 2247.5721 0.0000 0.0000 52128.9274 -109613.0480 299.5857 -161741.9754 -109247.6539 299.2863 -261.0083 -227.6445 760847.9085 -3.4221 -3.3458 LDB: ============= START OF LOAD BALANCING ============== 4512.54 LDB: ============== END OF LOAD BALANCING =============== 4512.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4512.54 LDB: ============= START OF LOAD BALANCING ============== 4512.86 LDB: Largest compute 7060 load 0.032290 is 16.5% of average load 0.195947 LDB: Average compute 0.004375 is 2.2% of average load 0.195947 LDB: TIME 4512.86 LOAD: AVG 0.195947 MAX 0.219037 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 4512.86 LOAD: AVG 0.195947 MAX 0.219037 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 4512.86 LOAD: AVG 0.195947 MAX 0.216699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 4512.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4512.87 PRESSURE: 1428400 -129.709 170.929 -58.5369 170.928 -12.9623 77.0079 -58.5364 77.0064 -157.756 GPRESSURE: 1428400 -101.626 167.458 -158.213 120.552 64.9749 84.6694 -1.17639 117.22 -169.968 PRESSAVG: 1428400 64.9818 -56.5351 12.402 -56.5351 -24.4105 -48.7609 12.402 -48.761 2.97668 GPRESSAVG: 1428400 66.3155 -59.099 11.5302 -56.0022 -25.0264 -47.4703 11.5974 -47.829 2.03099 TIMING: 1428400 CPU: 4500.79, 0.00320176/step Wall: 4500.79, 0.00320176/step, 3.1765 hours remaining, 238.871094 MB of memory in use. ENERGY: 1428400 4012.5872 20622.0211 14351.1452 233.6966 -203283.4496 2462.5260 0.0000 0.0000 52035.3195 -109566.1541 299.0477 -161601.4735 -109208.2998 299.5063 -100.1424 -68.8727 760300.2953 14.5160 14.4400 PRESSURE: 1428600 228.877 -65.2991 -52.0912 -65.2993 -521.964 -218.318 -52.0913 -218.317 -204.856 GPRESSURE: 1428600 174.851 -45.3985 -49.9123 -47.0101 -345.794 -266.395 -159.725 -168.735 -238.307 PRESSAVG: 1428600 8.9446 -34.7355 -3.8658 -34.7356 4.73674 -35.5549 -3.86584 -35.5549 -2.81923 GPRESSAVG: 1428600 8.6971 -30.6259 -4.1395 -35.3184 3.75788 -35.5021 -3.58558 -36.1669 -1.60033 TIMING: 1428600 CPU: 4501.41, 0.00313974/step Wall: 4501.41, 0.00313974/step, 3.11479 hours remaining, 238.871094 MB of memory in use. ENERGY: 1428600 4031.9008 20576.1084 14374.0721 246.2548 -203382.3785 2512.8725 0.0000 0.0000 52079.2119 -109561.9581 299.2999 -161641.1700 -109194.9637 299.3800 -165.9813 -136.4166 759402.0840 3.6207 3.6182 PRESSURE: 1428800 13.5989 -285.4 -180.408 -285.4 -277.267 -62.9287 -180.408 -62.9302 -101.166 GPRESSURE: 1428800 -13.7422 -306.565 -60.1494 -244.378 -178.869 -63.4086 -170.578 54.8278 -97.9722 PRESSAVG: 1428800 -16.3119 -42.7228 -36.7136 -42.7229 18.1916 -3.04366 -36.7136 -3.04371 1.04445 GPRESSAVG: 1428800 -17.1066 -43.376 -35.4497 -42.8828 20.1916 -3.5135 -35.6578 -1.10435 0.192665 TIMING: 1428800 CPU: 4502.04, 0.00313768/step Wall: 4502.04, 0.00313768/step, 3.11258 hours remaining, 238.871094 MB of memory in use. ENERGY: 1428800 3980.8123 20703.1596 14357.3426 229.5018 -203370.6151 2575.2332 0.0000 0.0000 51905.7656 -109618.8000 298.3031 -161524.5656 -109257.8620 299.5407 -121.6114 -96.8610 760955.6036 0.9747 1.0926 PRESSURE: 1429000 -48.1327 -67.2826 -127.062 -67.2824 37.3603 -45.4611 -127.063 -45.4609 -11.4573 GPRESSURE: 1429000 -22.4633 -58.6249 -106.256 -20.8366 -7.26448 -3.47013 -85.637 -118.955 87.604 PRESSAVG: 1429000 19.241 -10.1864 16.6796 -10.1864 -9.70849 -44.282 16.6796 -44.2819 4.33769 GPRESSAVG: 1429000 18.9946 -9.37515 14.8603 -10.3763 -10.4227 -44.1635 18.0649 -45.5672 4.96872 TIMING: 1429000 CPU: 4502.67, 0.00314562/step Wall: 4502.67, 0.00314561/step, 3.12027 hours remaining, 238.871094 MB of memory in use. ENERGY: 1429000 4020.3231 20442.8456 14407.1826 245.8154 -202933.6873 2181.5795 0.0000 0.0000 52287.0366 -109348.9045 300.4943 -161635.9411 -108988.9663 299.3673 -7.4099 19.2921 759744.0400 4.6234 4.5135 PRESSURE: 1429200 -487.489 93.9072 172.383 93.9072 -209.1 -139.822 172.382 -139.822 -177.064 GPRESSURE: 1429200 -393.183 150.742 144.722 -19.4248 -149.907 -196.232 107.442 -118.805 -231.326 PRESSAVG: 1429200 -26.959 -30.06 6.61685 -30.0599 -37.4432 -34.4102 6.6168 -34.4102 -5.74735 GPRESSAVG: 1429200 -25.9303 -31.6681 7.66528 -30.0436 -38.2748 -34.2616 4.91841 -33.5044 -5.51626 TIMING: 1429200 CPU: 4503.3, 0.00313989/step Wall: 4503.3, 0.00313989/step, 3.11442 hours remaining, 238.871094 MB of memory in use. ENERGY: 1429200 3991.7073 20649.1845 14441.2180 268.9930 -203320.5553 2358.8347 0.0000 0.0000 52334.3847 -109276.2329 300.7664 -161610.6177 -108905.1696 300.7674 -291.2176 -258.1386 761128.1374 -23.3832 -23.2404 PRESSURE: 1429400 -104.017 -1.00235 146.477 -1.00153 -191.385 56.3601 146.477 56.36 -267.81 GPRESSURE: 1429400 44.6033 27.9832 155.16 46.9938 -182.551 8.04681 29.2305 165.631 -342.752 PRESSAVG: 1429400 3.47955 -46.2104 -15.9935 -46.2104 -26.2341 -61.4241 -15.9934 -61.424 17.2332 GPRESSAVG: 1429400 4.33276 -47.9913 -17.9325 -44.1697 -25.0468 -62.0497 -14.2112 -61.4901 15.6097 TIMING: 1429400 CPU: 4503.93, 0.00313464/step Wall: 4503.93, 0.00313464/step, 3.10904 hours remaining, 238.871094 MB of memory in use. ENERGY: 1429400 3956.0987 20544.9348 14406.1954 248.5370 -202881.6712 2054.7509 0.0000 0.0000 52291.4129 -109379.7414 300.5195 -161671.1543 -109002.1691 300.2493 -187.7373 -160.2331 761205.5865 -1.8404 -1.7015 PRESSURE: 1429600 -265.969 93.5654 28.5 93.565 -162.46 183.346 28.4998 183.346 164.987 GPRESSURE: 1429600 -204.804 38.7717 -23.1359 -0.612061 -95.2155 181.28 32.8625 276.95 125.963 PRESSAVG: 1429600 0.246 -56.7183 -23.1407 -56.7184 22.5888 -11.3154 -23.1407 -11.3153 -24.9164 GPRESSAVG: 1429600 -1.54599 -54.9563 -20.2843 -56.9677 23.0299 -10.7044 -25.1332 -13.1639 -23.466 TIMING: 1429600 CPU: 4504.55, 0.00314049/step Wall: 4504.55, 0.00314049/step, 3.11466 hours remaining, 238.871094 MB of memory in use. ENERGY: 1429600 3945.0649 20567.0384 14427.3968 258.8935 -203171.2586 2377.4796 0.0000 0.0000 52213.8944 -109381.4911 300.0740 -161595.3855 -109012.9830 299.7553 -87.8139 -58.0189 760378.4216 -0.6939 -0.6607 PRESSURE: 1429800 9.40222 41.8561 -278.647 41.8551 -111.856 46.3446 -278.646 46.3455 -37.5594 GPRESSURE: 1429800 20.0269 48.9839 -351.235 38.1927 -103.03 34.4302 -190.328 -167.374 33.2075 PRESSAVG: 1429800 -27.605 -67.6014 38.1152 -67.6015 12.2937 7.12071 38.1152 7.12078 -3.77411 GPRESSAVG: 1429800 -28.0305 -69.9068 36.035 -70.4221 13.35 6.96675 40.9425 7.01039 -4.03548 TIMING: 1429800 CPU: 4505.18, 0.00313335/step Wall: 4505.18, 0.00313335/step, 3.10741 hours remaining, 238.871094 MB of memory in use. ENERGY: 1429800 4058.2522 20555.6614 14395.4540 237.3322 -203129.3280 2602.7017 0.0000 0.0000 52012.7905 -109267.1361 298.9182 -161279.9266 -108913.1647 299.8315 -46.6711 -16.5985 759668.5238 -6.3618 -6.2387 PRESSURE: 1430000 -483.409 -105.508 41.5093 -105.509 -197.226 -5.6978 41.5099 -5.69746 -42.2379 GPRESSURE: 1430000 -374.879 -109.025 49.2099 -85.3541 -204.468 -62.8801 137.271 73.5997 -33.924 PRESSAVG: 1430000 2.44329 -71.5042 -23.8502 -71.5042 32.4076 -57.8649 -23.8502 -57.8648 -0.189167 GPRESSAVG: 1430000 2.40913 -67.7489 -24.3066 -68.9116 30.5588 -59.7431 -24.2461 -55.8576 1.74581 TIMING: 1430000 CPU: 4505.81, 0.00313538/step Wall: 4505.81, 0.00313538/step, 3.10925 hours remaining, 238.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1430000 3995.6555 20380.6592 14415.7835 254.9904 -203304.6799 2487.2054 0.0000 0.0000 52225.8739 -109544.5118 300.1428 -161770.3858 -109180.6517 299.7551 -240.9578 -204.4236 760774.7735 11.5539 11.5712 PRESSURE: 1430200 -372.425 -148.206 -47.5766 -148.206 120.98 -31.8382 -47.5768 -31.8401 85.7086 GPRESSURE: 1430200 -307.704 -174.951 -51.5148 -91.0075 87.661 10.7438 -130.095 -62.3686 123.295 PRESSAVG: 1430200 -26.8928 -58.5298 -31.1135 -58.5298 -0.308106 -10.8376 -31.1135 -10.8376 -14.3872 GPRESSAVG: 1430200 -26.7008 -58.2924 -31.2298 -57.4862 1.05448 -8.24764 -32.4042 -12.99 -15.3299 TIMING: 1430200 CPU: 4506.44, 0.00314369/step Wall: 4506.44, 0.00314369/step, 3.11732 hours remaining, 238.871094 MB of memory in use. ENERGY: 1430200 3971.6162 20498.9312 14396.4182 229.3803 -203358.9401 2621.2402 0.0000 0.0000 52005.5310 -109635.8229 298.8765 -161641.3539 -109274.1472 298.9954 -55.2454 -32.2496 759547.2147 -13.8627 -13.6587 PRESSURE: 1430400 184.072 48.574 119.979 48.5743 52.4185 -26.1312 119.979 -26.1311 -87.1625 GPRESSURE: 1430400 276.099 31.9794 167.208 -74.5286 131.95 9.58698 52.1859 -69.034 -187.51 PRESSAVG: 1430400 -13.7913 -55.0734 66.4561 -55.0734 44.1359 29.5094 66.4561 29.5095 -3.53536 GPRESSAVG: 1430400 -13.6928 -56.4191 66.608 -58.3988 43.827 30.2658 66.7519 29.5959 -3.81009 TIMING: 1430400 CPU: 4507.07, 0.00315108/step Wall: 4507.07, 0.00315108/step, 3.12447 hours remaining, 238.871094 MB of memory in use. ENERGY: 1430400 3908.9093 20488.1631 14370.3739 246.8918 -203264.5652 2538.3982 0.0000 0.0000 52129.2365 -109582.5925 299.5874 -161711.8290 -109223.2144 299.0766 49.7761 73.5130 761070.5323 8.9364 8.7747 PRESSURE: 1430600 -119.029 -92.0132 23.2768 -92.0131 -45.4047 36.354 23.2773 36.3544 -487.487 GPRESSURE: 1430600 -57.1203 68.8437 -22.2211 -128.386 -35.6872 -34.3533 98.8988 117.228 -465.541 PRESSAVG: 1430600 18.0424 -60.3378 10.2305 -60.3378 -23.1351 9.31895 10.2305 9.3189 32.2458 GPRESSAVG: 1430600 19.4953 -60.2175 10.8374 -58.3123 -24.4519 9.03038 8.96396 9.49674 32.358 TIMING: 1430600 CPU: 4507.7, 0.00315192/step Wall: 4507.7, 0.00315192/step, 3.12513 hours remaining, 238.871094 MB of memory in use. ENERGY: 1430600 4038.6173 20494.7225 14442.5380 251.2202 -203077.2476 2427.7809 0.0000 0.0000 52029.8414 -109392.5274 299.0162 -161422.3688 -109028.9455 299.3923 -217.3067 -186.1160 762439.8219 9.0510 9.1338 PRESSURE: 1430800 -136.364 105.643 -85.334 105.643 265.472 -42.1688 -85.3343 -42.1697 101.836 GPRESSURE: 1430800 -52.9404 91.4378 -149.17 103.884 275.234 -38.3156 -100.205 -98.4346 86.1548 PRESSAVG: 1430800 -46.5884 -10.8306 -46.7319 -10.8306 36.0132 -58.5307 -46.7319 -58.5306 -10.9736 GPRESSAVG: 1430800 -47.1154 -9.98944 -46.2525 -11.1381 37.0075 -60.0156 -47.3246 -58.7714 -12.2863 TIMING: 1430800 CPU: 4508.32, 0.00313719/step Wall: 4508.32, 0.00313719/step, 3.11035 hours remaining, 238.871094 MB of memory in use. ENERGY: 1430800 3946.6918 20521.8210 14402.7910 253.2787 -202752.4702 2305.9254 0.0000 0.0000 52162.9218 -109159.0405 299.7810 -161321.9623 -108788.5435 299.3692 76.9811 102.8163 761556.1009 -7.1829 -7.4647 PRESSURE: 1431000 -133.68 -54.7837 -153.879 -54.7831 46.7635 -2.62159 -153.878 -2.62007 -61.8553 GPRESSURE: 1431000 -108.888 -114.577 -194.458 2.10318 100.786 69.041 -246.854 -52.137 -62.8283 PRESSAVG: 1431000 -41.7669 -27.5186 -7.56884 -27.5186 27.3584 -3.33876 -7.56889 -3.33873 -17.929 GPRESSAVG: 1431000 -42.6364 -29.6396 -8.82191 -24.7434 27.214 -2.77217 -8.34147 -3.87237 -16.4909 TIMING: 1431000 CPU: 4508.95, 0.00314819/step Wall: 4508.95, 0.00314819/step, 3.12108 hours remaining, 238.871094 MB of memory in use. ENERGY: 1431000 3970.5988 20581.4841 14499.9586 246.1738 -203327.4026 2457.3118 0.0000 0.0000 52297.4637 -109274.4118 300.5542 -161571.8754 -108907.1852 299.5388 -49.5906 -23.6433 760079.1068 -10.7792 -10.6378 PRESSURE: 1431200 380.992 -115.247 9.13879 -115.248 198.977 -75.9307 9.13866 -75.9293 -49.5653 GPRESSURE: 1431200 378.776 -53.1421 7.59186 83.6324 255.707 -177.425 -113.992 63.195 -27.6507 PRESSAVG: 1431200 38.3527 -46.9596 42.4335 -46.9596 -17.6528 -29.6138 42.4334 -29.6138 3.99609 GPRESSAVG: 1431200 38.5453 -45.9142 42.6345 -48.8171 -16.4299 -30.5217 42.2262 -27.7417 2.68195 TIMING: 1431200 CPU: 4509.59, 0.00316455/step Wall: 4509.59, 0.00316455/step, 3.13712 hours remaining, 238.871094 MB of memory in use. ENERGY: 1431200 3989.3138 20499.3221 14458.9338 263.1078 -203018.0595 2558.4269 0.0000 0.0000 52110.6828 -109138.2723 299.4808 -161248.9551 -108771.4597 300.1154 176.8013 202.2774 758999.1688 8.2320 8.2658 PRESSURE: 1431400 167.369 201.853 18.6871 201.853 -381.846 -148.785 18.6864 -148.784 121.696 GPRESSURE: 1431400 185.029 172.69 44.221 185.445 -263.21 -142.253 7.73306 -132.556 84.5758 PRESSAVG: 1431400 7.81395 -22.9673 -46.5009 -22.9672 -34.2881 -14.7591 -46.5009 -14.7591 -23.2847 GPRESSAVG: 1431400 8.14653 -24.193 -45.6522 -21.9341 -35.7965 -13.1852 -46.0302 -15.4393 -22.109 TIMING: 1431400 CPU: 4510.22, 0.0031549/step Wall: 4510.22, 0.0031549/step, 3.12738 hours remaining, 238.871094 MB of memory in use. ENERGY: 1431400 3924.2823 20496.2237 14512.4633 238.3668 -202724.5810 2593.0053 0.0000 0.0000 52172.2696 -108787.9700 299.8348 -160960.2397 -108428.7832 300.2197 -30.9267 2.1317 764630.1953 -16.5863 -16.5863 PRESSURE: 1431600 252.418 87.1992 -372.401 87.1985 352.55 26.9537 -372.402 26.9537 223.991 GPRESSURE: 1431600 330.324 71.6419 -358.676 101.934 320.276 -29.1201 -335.629 56.4828 247.51 PRESSAVG: 1431600 22.8279 -16.9762 -32.0284 -16.9762 -18.9113 -33.6447 -32.0283 -33.6447 5.04345 GPRESSAVG: 1431600 22.7239 -16.678 -30.9004 -18.1571 -17.9127 -35.0845 -33.3554 -34.0931 4.27872 TIMING: 1431600 CPU: 4510.85, 0.00314873/step Wall: 4510.85, 0.00314873/step, 3.12109 hours remaining, 238.871094 MB of memory in use. ENERGY: 1431600 3918.9401 20707.0243 14425.5332 219.0156 -203659.1768 2978.7204 0.0000 0.0000 52410.2111 -108999.7321 301.2022 -161409.9432 -108643.3333 300.6230 276.3196 299.3698 762957.8640 2.9867 3.0300 PRESSURE: 1431800 341.651 -244.279 -187.522 -244.279 407.544 -3.74615 -187.522 -3.74543 10.2474 GPRESSURE: 1431800 320.204 -198.77 -211.806 -226.92 420.948 -107.666 -265.27 54.0057 111.48 PRESSAVG: 1431800 64.2638 -10.7286 -55.7117 -10.7286 -53.2837 -23.4331 -55.7117 -23.4331 -14.8534 GPRESSAVG: 1431800 64.6463 -9.1799 -55.9165 -10.3783 -54.0859 -23.4567 -54.6015 -23.9003 -14.4535 TIMING: 1431800 CPU: 4511.48, 0.00316553/step Wall: 4511.48, 0.00316553/step, 3.13757 hours remaining, 238.871094 MB of memory in use. ENERGY: 1431800 4006.5789 20565.9272 14507.6057 248.0468 -203669.8065 2922.5564 0.0000 0.0000 52652.1355 -108766.9561 302.5925 -161419.0916 -108400.5449 300.3329 253.1476 284.2107 762140.6482 -1.2911 -1.2977 PRESSURE: 1432000 177.136 40.312 -131.903 40.312 -241.179 53.3811 -131.904 53.381 232.232 GPRESSURE: 1432000 113.105 -77.0645 -128.886 84.4535 -110.273 113.239 -72.3947 185.023 240.032 PRESSAVG: 1432000 12.8582 3.46392 -11.0763 3.46392 -56.5114 -48.3985 -11.0762 -48.3985 10.6235 GPRESSAVG: 1432000 12.5965 3.71362 -13.6503 2.63555 -56.1327 -47.0473 -10.6862 -46.9527 10.6126 TIMING: 1432000 CPU: 4512.11, 0.00314349/step Wall: 4512.11, 0.00314349/step, 3.11555 hours remaining, 238.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1432000 4008.1200 20559.9126 14489.7293 259.0463 -203252.2828 2724.6191 0.0000 0.0000 52237.1330 -108973.7224 300.2075 -161210.8554 -108614.6520 300.5490 56.0631 80.9550 762002.9586 -11.0099 -10.9746 PRESSURE: 1432200 104.135 -358.252 26.3371 -358.253 3.17265 -149.36 26.3373 -149.36 -324.527 GPRESSURE: 1432200 41.9532 -368.067 1.36777 -265.726 72.4995 -215.691 52.4528 -160.508 -256.603 PRESSAVG: 1432200 -47.6035 4.42057 10.6913 4.4206 19.2321 -6.93175 10.6913 -6.9318 -0.866354 GPRESSAVG: 1432200 -47.8836 4.00166 12.2089 5.9969 19.21 -6.77454 11.1382 -7.17904 -0.209948 TIMING: 1432200 CPU: 4512.74, 0.00313529/step Wall: 4512.74, 0.00313529/step, 3.10725 hours remaining, 238.871094 MB of memory in use. ENERGY: 1432200 3993.5205 20505.3118 14485.5846 256.3068 -203204.6951 2580.8972 0.0000 0.0000 52363.8925 -109019.1816 300.9360 -161383.0741 -108649.5567 300.1885 -72.4066 -47.3834 762087.6243 -9.7459 -9.6278 LDB: ============= START OF LOAD BALANCING ============== 4525.13 LDB: ============== END OF LOAD BALANCING =============== 4525.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4525.14 LDB: ============= START OF LOAD BALANCING ============== 4525.45 LDB: Largest compute 7056 load 0.030354 is 15.5% of average load 0.195883 LDB: Average compute 0.004379 is 2.2% of average load 0.195883 LDB: TIME 4525.45 LOAD: AVG 0.195883 MAX 0.217528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 4525.45 LOAD: AVG 0.195883 MAX 0.217528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 4525.45 LOAD: AVG 0.195883 MAX 0.217528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: ============== END OF LOAD BALANCING =============== 4525.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4525.46 PRESSURE: 1432400 370.568 166.095 -76.1836 166.094 432.879 -195.569 -76.1832 -195.57 354.399 GPRESSURE: 1432400 448.197 84.002 15.363 43.5061 431.583 -248.063 -47.8954 -107.248 368.746 PRESSAVG: 1432400 62.9253 -42.3113 -9.11723 -42.3113 -69.0065 20.2405 -9.1172 20.2405 1.21268 GPRESSAVG: 1432400 63.4573 -42.2018 -9.74212 -42.823 -70.0749 20.8485 -8.15838 20.5822 1.45531 TIMING: 1432400 CPU: 4513.38, 0.00321697/step Wall: 4513.38, 0.00321697/step, 3.18801 hours remaining, 239.691406 MB of memory in use. ENERGY: 1432400 3914.7606 20555.5653 14386.3228 230.9987 -203286.3126 2803.6598 0.0000 0.0000 52058.4313 -109336.5740 299.1805 -161395.0053 -108964.9843 299.9779 385.9484 416.1752 761081.3830 -1.6228 -1.7208 PRESSURE: 1432600 -137.012 16.7219 269.846 16.7222 -263.017 -122.626 269.847 -122.627 53.6162 GPRESSURE: 1432600 -97.0495 -53.4468 271.872 -89.5575 -211.179 -178.782 279.603 -82.3128 44.1674 PRESSAVG: 1432600 -1.27057 53.6761 23.296 53.676 36.4823 39.703 23.2959 39.7031 8.97408 GPRESSAVG: 1432600 -1.54559 53.7167 25.0385 51.6008 36.6815 38.8952 20.9664 38.1322 8.99529 TIMING: 1432600 CPU: 4514.01, 0.00313655/step Wall: 4514.01, 0.00313655/step, 3.10815 hours remaining, 239.691406 MB of memory in use. ENERGY: 1432600 4016.0363 20580.9912 14421.0387 242.0928 -203278.8110 2442.3586 0.0000 0.0000 51995.8725 -109580.4209 298.8210 -161576.2934 -109210.4124 299.5095 -115.4709 -88.0203 760293.0119 14.7286 14.7104 PRESSURE: 1432800 38.8168 34.1279 33.2984 34.1286 -111.775 -6.71527 33.2985 -6.71546 272.22 GPRESSURE: 1432800 56.578 67.2686 45.0478 -1.22797 -62.8451 -64.5638 16.4644 72.115 287.051 PRESSAVG: 1432800 -71.5159 -52.508 -15.8743 -52.508 -5.00504 3.62235 -15.8743 3.62234 -22.6083 GPRESSAVG: 1432800 -71.646 -53.6369 -16.6515 -49.2059 -5.99879 4.706 -15.5634 3.72523 -22.1056 TIMING: 1432800 CPU: 4514.64, 0.00315068/step Wall: 4514.64, 0.00315068/step, 3.12197 hours remaining, 239.691406 MB of memory in use. ENERGY: 1432800 3928.6218 20455.9487 14334.3207 248.8451 -203205.9238 2513.6078 0.0000 0.0000 52077.2540 -109647.3255 299.2887 -161724.5795 -109279.7555 298.7927 66.4203 93.5946 761061.1387 -33.0431 -33.2501 PRESSURE: 1433000 -99.9218 -15.0014 46.7341 -15.002 42.5539 -181.224 46.7346 -181.226 291.328 GPRESSURE: 1433000 -100.338 71.3608 51.9788 60.2427 85.4199 -133.217 -1.8719 -257.207 317.191 PRESSAVG: 1433000 -0.134297 -46.4854 -23.8028 -46.4854 -3.67861 40.711 -23.8028 40.711 -4.57499 GPRESSAVG: 1433000 0.534994 -44.2987 -25.3909 -48.5651 -2.47226 40.8914 -23.1266 39.6633 -6.29637 TIMING: 1433000 CPU: 4515.27, 0.00315956/step Wall: 4515.27, 0.00315956/step, 3.1306 hours remaining, 239.691406 MB of memory in use. ENERGY: 1433000 3978.9477 20500.2175 14411.7389 258.8818 -202806.1685 2365.0244 0.0000 0.0000 51837.8063 -109453.5517 297.9126 -161291.3581 -109100.8901 299.1389 77.9866 100.7576 759745.8063 -2.7960 -2.7445 PRESSURE: 1433200 31.4521 -60.4405 91.1322 -60.4401 62.118 -63.372 91.1329 -63.3727 72.7776 GPRESSURE: 1433200 11.6686 -158.132 93.292 -49.3599 159.9 -37.4593 246.872 -77.0279 96.8991 PRESSAVG: 1433200 -12.0875 -1.47532 20.4131 -1.47527 34.5805 0.488143 20.4131 0.488191 8.7447 GPRESSAVG: 1433200 -13.1993 -3.04404 20.7907 -0.467893 34.1061 -3.08717 19.3524 1.06115 9.80998 TIMING: 1433200 CPU: 4515.9, 0.0031376/step Wall: 4515.9, 0.0031376/step, 3.10866 hours remaining, 239.691406 MB of memory in use. ENERGY: 1433200 3893.9389 20351.2463 14402.5525 252.5169 -203501.5278 2743.9444 0.0000 0.0000 52122.1050 -109735.2238 299.5465 -161857.3288 -109351.1867 299.0795 55.4492 89.4891 759859.5487 10.4126 10.2389 PRESSURE: 1433400 148.398 -83.6692 -145.425 -83.668 87.3939 182.639 -145.425 182.639 14.786 GPRESSURE: 1433400 160.475 -176.354 -44.9792 -120.241 159.895 103.158 -277.008 122.13 21.9709 PRESSAVG: 1433400 28.1648 -60.6617 -17.6255 -60.6617 -9.4126 -40.3343 -17.6255 -40.3343 -0.577174 GPRESSAVG: 1433400 28.8322 -58.7247 -17.4594 -62.0639 -8.75049 -37.1624 -15.7971 -39.8647 -1.72712 TIMING: 1433400 CPU: 4516.52, 0.00312909/step Wall: 4516.52, 0.00312909/step, 3.10006 hours remaining, 239.691406 MB of memory in use. ENERGY: 1433400 3959.5422 20476.4655 14378.4754 240.9382 -203359.1156 2759.8969 0.0000 0.0000 51977.3615 -109566.4359 298.7146 -161543.7974 -109209.2025 299.1246 83.5260 114.1136 759601.9148 6.0583 6.1182 PRESSURE: 1433600 -156.459 51.8884 -197.71 51.8887 -343.924 53.0075 -197.711 53.0077 -452.124 GPRESSURE: 1433600 -96.131 85.8979 -224.101 95.4897 -417.25 32.8403 -120.453 101.868 -368.042 PRESSAVG: 1433600 25.6627 -62.5955 -63.9784 -62.5955 -15.2628 39.0018 -63.9784 39.0018 -2.01223 GPRESSAVG: 1433600 25.6257 -62.8073 -65.2909 -64.227 -15.478 37.8717 -62.9138 38.0017 -1.79632 TIMING: 1433600 CPU: 4517.15, 0.00314966/step Wall: 4517.15, 0.00314966/step, 3.12027 hours remaining, 239.691406 MB of memory in use. ENERGY: 1433600 3989.8682 20725.2950 14481.8999 264.9384 -203346.3773 2564.5018 0.0000 0.0000 51980.4387 -109339.4354 298.7323 -161319.8741 -108973.1963 299.3703 -317.5024 -293.8076 761552.0871 2.7959 2.7838 PRESSURE: 1433800 57.1738 53.8326 17.3231 53.832 -189.718 -24.0668 17.3233 -24.0652 105.344 GPRESSURE: 1433800 156.528 17.1833 31.4098 63.6241 -205.114 -66.8401 -72.1244 67.5499 103.013 PRESSAVG: 1433800 35.2743 -3.80431 -96.79 -3.80428 27.8439 -1.12243 -96.7901 -1.12235 -10.8015 GPRESSAVG: 1433800 35.4389 -4.2224 -95.9468 -1.38261 26.4322 -0.549936 -98.752 -0.123176 -9.47495 TIMING: 1433800 CPU: 4517.78, 0.00314795/step Wall: 4517.78, 0.00314795/step, 3.1184 hours remaining, 239.691406 MB of memory in use. ENERGY: 1433800 4017.0736 20597.1264 14472.7122 249.2473 -203058.2346 2392.6941 0.0000 0.0000 51876.7048 -109452.6763 298.1361 -161329.3810 -109084.6753 299.7802 -9.0670 18.1426 760518.3705 17.4389 17.4654 PRESSURE: 1434000 -76.6988 86.0992 172.146 86.099 -2.15576 -167.696 172.146 -167.696 352.291 GPRESSURE: 1434000 -34.8796 11.0649 157.325 164.224 28.0381 -194.969 124.31 -137.483 379.091 PRESSAVG: 1434000 -28.8045 -0.58865 -39.0725 -0.588666 -10.8104 -11.4018 -39.0725 -11.4018 -9.77755 GPRESSAVG: 1434000 -28.683 -1.75417 -38.4259 0.489598 -9.94095 -11.7579 -38.4078 -10.4795 -9.54478 TIMING: 1434000 CPU: 4518.41, 0.00315115/step Wall: 4518.41, 0.00315115/step, 3.12139 hours remaining, 239.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1434000 3947.4935 20500.5883 14489.6478 258.4879 -203120.6809 2273.6096 0.0000 0.0000 51999.0930 -109651.7607 298.8395 -161650.8537 -109287.4936 298.9937 91.1454 124.0831 761092.8406 -16.4642 -16.0563 PRESSURE: 1434200 108.329 -240.493 87.0822 -240.493 -136.536 111.944 87.0823 111.944 -236.161 GPRESSURE: 1434200 50.8689 -82.0655 22.2841 -222.181 -81.7412 93.6523 -1.28597 97.2207 -158.799 PRESSAVG: 1434200 17.3169 -50.2115 -10.3336 -50.2115 -38.2541 33.5203 -10.3337 33.5204 -14.0188 GPRESSAVG: 1434200 17.4244 -48.7819 -10.7265 -51.4341 -37.4475 33.1153 -10.5628 33.6966 -14.949 TIMING: 1434200 CPU: 4519.04, 0.0031534/step Wall: 4519.04, 0.0031534/step, 3.12344 hours remaining, 239.691406 MB of memory in use. ENERGY: 1434200 3932.5313 20540.5229 14406.8703 230.3083 -203422.4717 2696.1031 0.0000 0.0000 52121.8568 -109494.2790 299.5450 -161616.1358 -109132.1921 298.5557 -88.1229 -63.2238 760833.0724 -11.6520 -11.6574 PRESSURE: 1434400 233.459 -182.297 84.0905 -182.297 111.565 83.8809 84.0911 83.881 -292.928 GPRESSURE: 1434400 279.386 -82.2732 108.971 -54.0187 173.72 70.2258 -37.2254 129.788 -317.853 PRESSAVG: 1434400 -29.1915 -33.6547 -46.1157 -33.6547 -0.873252 -16.1972 -46.1156 -16.1972 13.5849 GPRESSAVG: 1434400 -28.7955 -34.7459 -46.2445 -33.1904 -1.45315 -14.7457 -46.0588 -16.5785 13.8751 TIMING: 1434400 CPU: 4519.67, 0.00315638/step Wall: 4519.67, 0.00315638/step, 3.12622 hours remaining, 239.691406 MB of memory in use. ENERGY: 1434400 3929.0217 20427.8749 14414.4218 266.5570 -203243.8993 2647.5690 0.0000 0.0000 52199.3224 -109359.1325 299.9902 -161558.4549 -108997.8282 299.0180 17.3652 45.0842 761594.4807 -5.4933 -5.4578 PRESSURE: 1434600 8.17122 -171.915 -111.358 -171.916 -6.75706 -190.804 -111.358 -190.804 165.494 GPRESSURE: 1434600 -11.7347 -142.382 -36.9941 -218.978 162.985 -153.415 -116.719 -52.7907 112.337 PRESSAVG: 1434600 27.2095 -4.51699 -11.2993 -4.51697 24.2458 -40.3044 -11.2993 -40.3043 -13.8598 GPRESSAVG: 1434600 26.7437 -3.7871 -10.9617 -3.77589 24.2882 -39.9116 -10.4526 -40.5186 -13.3846 TIMING: 1434600 CPU: 4520.3, 0.00314014/step Wall: 4520.3, 0.00314014/step, 3.10996 hours remaining, 239.691406 MB of memory in use. ENERGY: 1434600 3931.1008 20479.2925 14388.3500 240.6030 -203119.9245 2625.9722 0.0000 0.0000 52050.0567 -109404.5494 299.1324 -161454.6061 -109042.5947 299.6202 55.6362 87.8624 759632.9431 12.5318 12.5491 PRESSURE: 1434800 -414.136 -117.109 134.614 -117.109 241.967 -51.921 134.615 -51.9211 455.501 GPRESSURE: 1434800 -351.064 -30.2512 210.805 -162.941 292.815 48.8571 241.98 -115.307 422.084 PRESSAVG: 1434800 -72.7321 -8.62638 -34.1695 -8.62638 39.3532 41.31 -34.1695 41.31 -11.274 GPRESSAVG: 1434800 -72.111 -9.30442 -35.1253 -11.2029 40.0804 41.3464 -33.4586 40.4034 -12.5901 TIMING: 1434800 CPU: 4520.93, 0.00313818/step Wall: 4520.93, 0.00313818/step, 3.10784 hours remaining, 239.691406 MB of memory in use. ENERGY: 1434800 3980.8133 20610.9588 14403.9731 219.2689 -203343.9215 2484.5400 0.0000 0.0000 52196.9598 -109447.4076 299.9766 -161644.3674 -109090.6097 299.3705 94.4442 121.2783 759707.7473 -14.8843 -14.8736 PRESSURE: 1435000 258.163 92.3329 10.5037 92.3325 140.009 -123.432 10.5042 -123.432 309.578 GPRESSURE: 1435000 234.454 -46.3868 89.5006 2.01911 221.957 -209.152 -148.844 -151.264 328.171 PRESSAVG: 1435000 -4.31492 24.6663 1.85767 24.6664 -23.6513 -23.5145 1.8577 -23.5145 -16.3551 GPRESSAVG: 1435000 -5.18643 26.1999 2.49292 24.9422 -25.1539 -25.4185 0.743575 -22.8775 -14.53 TIMING: 1435000 CPU: 4521.56, 0.00314054/step Wall: 4521.56, 0.00314054/step, 3.11 hours remaining, 239.691406 MB of memory in use. ENERGY: 1435000 3930.0071 20654.1507 14448.5127 237.0021 -203381.7265 2506.3810 0.0000 0.0000 52069.5610 -109536.1119 299.2445 -161605.6730 -109170.8532 299.4369 235.9168 261.5275 759319.8794 -14.7738 -14.9568 PRESSURE: 1435200 301.108 -237.855 -123.867 -237.855 -20.9917 198.484 -123.867 198.484 448.434 GPRESSURE: 1435200 304.855 -253.288 -89.4156 -146.709 56.3458 139.213 -265.052 282.368 435.617 PRESSAVG: 1435200 54.6237 14.7816 8.6013 14.7816 -54.647 9.17212 8.60136 9.17219 -2.94236 GPRESSAVG: 1435200 55.423 13.3186 7.51008 14.2528 -54.3108 9.25454 11.1167 9.58147 -4.21858 TIMING: 1435200 CPU: 4522.19, 0.00314611/step Wall: 4522.19, 0.00314611/step, 3.11535 hours remaining, 239.691406 MB of memory in use. ENERGY: 1435200 3933.7718 20567.1883 14435.7288 262.2310 -203132.3100 2446.7607 0.0000 0.0000 52023.8694 -109462.7599 298.9819 -161486.6293 -109092.0874 299.6258 242.8500 265.6057 760629.5797 -0.9885 -1.0355 PRESSURE: 1435400 98.0528 11.0921 226.769 11.092 172.499 76.9046 226.769 76.9049 -287.34 GPRESSURE: 1435400 109.559 34.3595 233.274 -21.6829 183.239 92.2549 120.561 32.6483 -231.921 PRESSAVG: 1435400 28.7433 -19.2343 27.1699 -19.2343 -33.8435 -26.8286 27.17 -26.8286 36.3694 GPRESSAVG: 1435400 27.6687 -18.1016 26.1494 -18.7378 -33.7951 -25.728 24.7054 -26.6441 37.4981 TIMING: 1435400 CPU: 4522.81, 0.00314119/step Wall: 4522.81, 0.00314119/step, 3.1103 hours remaining, 239.691406 MB of memory in use. ENERGY: 1435400 4029.2983 20507.8649 14355.5493 247.9404 -203525.1179 2853.4466 0.0000 0.0000 52172.7674 -109358.2511 299.8376 -161531.0185 -108996.2033 299.4070 -5.5962 20.2925 762005.9509 10.4231 10.4572 PRESSURE: 1435600 -135.818 -22.2277 -281.106 -22.228 -261.771 225.299 -281.106 225.299 203.112 GPRESSURE: 1435600 -68.4192 20.2585 -286.751 -23.2124 -245.095 230.704 -282.681 136.241 207.737 PRESSAVG: 1435600 52.5569 -9.89891 20.5594 -9.89896 -44.9456 25.3488 20.5594 25.3488 -5.17499 GPRESSAVG: 1435600 53.0235 -12.4096 21.9215 -8.63033 -44.5253 22.8286 20.2933 25.5656 -6.26803 TIMING: 1435600 CPU: 4523.44, 0.00314889/step Wall: 4523.44, 0.00314889/step, 3.11775 hours remaining, 239.691406 MB of memory in use. ENERGY: 1435600 3920.8387 20503.1714 14418.0030 268.3699 -203049.1247 2462.7970 0.0000 0.0000 52065.3170 -109410.6277 299.2201 -161475.9448 -109048.5384 298.9555 -64.8257 -35.2590 762621.4719 0.8121 0.7434 PRESSURE: 1435800 -251.711 -39.8552 98.5206 -39.8546 -166.602 29.6247 98.5204 29.6248 -320.457 GPRESSURE: 1435800 -205.464 -0.175682 102.99 -2.15455 -220.223 14.5384 -16.978 109.763 -240.472 PRESSAVG: 1435800 25.9321 16.5931 29.316 16.5931 7.07415 -18.1941 29.3161 -18.1941 0.155591 GPRESSAVG: 1435800 25.3072 17.5608 29.6932 13.6643 6.99625 -16.9139 30.3979 -19.8619 0.442244 TIMING: 1435800 CPU: 4524.08, 0.00316954/step Wall: 4524.08, 0.00316954/step, 3.13802 hours remaining, 239.691406 MB of memory in use. ENERGY: 1435800 4004.8418 20425.4538 14420.6426 254.9123 -203140.0635 2330.3212 0.0000 0.0000 52089.0636 -109614.8283 299.3566 -161703.8919 -109245.4508 299.1195 -246.2565 -222.0529 761798.7491 11.0540 10.9152 PRESSURE: 1436000 48.3125 -46.6935 -207.336 -46.6935 55.8481 -8.12348 -207.336 -8.12299 174.357 GPRESSURE: 1436000 52.3361 -162.775 -82.0377 -48.7062 76.9923 -24.4458 -225.383 -72.216 231.586 PRESSAVG: 1436000 83.4847 -3.5874 24.1093 -3.58736 -22.0902 6.11367 24.1093 6.1136 -10.3131 GPRESSAVG: 1436000 83.1866 -3.6324 23.1517 -2.2158 -21.5977 6.47149 25.2559 7.90392 -10.3537 TIMING: 1436000 CPU: 4524.71, 0.00316535/step Wall: 4524.71, 0.00316535/step, 3.1337 hours remaining, 239.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1436000 3992.9093 20388.5485 14436.4573 225.9497 -203398.4777 2703.8109 0.0000 0.0000 52055.1109 -109595.6911 299.1614 -161650.8020 -109236.5683 298.8548 92.8391 120.3046 760119.2522 17.0271 17.0784 PRESSURE: 1436200 246.68 45.3278 58.2117 45.3293 -284.252 -124.966 58.2118 -124.966 8.27508 GPRESSURE: 1436200 271.998 10.9489 48.0906 -52.7261 -200.517 -111.493 -177.584 -19.6871 -7.87855 PRESSAVG: 1436200 40.0309 14.9827 -7.21115 14.9828 -32.774 -11.8636 -7.21121 -11.8636 -31.8975 GPRESSAVG: 1436200 40.6362 14.9004 -7.1772 15.3266 -33.7636 -10.9355 -7.41041 -12.1712 -32.0389 TIMING: 1436200 CPU: 4525.34, 0.0031595/step Wall: 4525.34, 0.0031595/step, 3.12773 hours remaining, 239.691406 MB of memory in use. ENERGY: 1436200 3972.5143 20509.3074 14415.5781 254.0897 -203372.0388 2439.5741 0.0000 0.0000 52113.6643 -109667.3109 299.4979 -161780.9752 -109302.2247 298.6179 -9.7658 21.2007 761456.2831 -8.2135 -8.3888 LDB: ============= START OF LOAD BALANCING ============== 4537.74 LDB: ============== END OF LOAD BALANCING =============== 4537.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4537.74 LDB: ============= START OF LOAD BALANCING ============== 4538.06 LDB: Largest compute 7077 load 0.030416 is 15.5% of average load 0.196065 LDB: Average compute 0.004352 is 2.2% of average load 0.196065 LDB: TIME 4538.06 LOAD: AVG 0.196065 MAX 0.217588 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.695 MB LDB: TIME 4538.06 LOAD: AVG 0.196065 MAX 0.217588 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 4538.06 LOAD: AVG 0.196065 MAX 0.217588 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 4538.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4538.07 PRESSURE: 1436400 -378.411 -206.427 -66.9201 -206.428 -467.821 -93.0712 -66.9202 -93.0715 391.921 GPRESSURE: 1436400 -331.597 -121.593 -60.1736 -134.995 -457.965 -61.5588 -129.502 -73.9367 435.143 PRESSAVG: 1436400 57.6452 -54.0902 5.81241 -54.0902 -47.7694 -30.2666 5.81243 -30.2666 -16.3066 GPRESSAVG: 1436400 57.7511 -53.7489 6.54745 -52.0712 -48.9785 -30.4919 3.35086 -31.2753 -15.4451 TIMING: 1436400 CPU: 4525.98, 0.00320758/step Wall: 4525.98, 0.00320758/step, 3.17514 hours remaining, 238.976562 MB of memory in use. ENERGY: 1436400 4011.5963 20375.1137 14530.8519 242.4965 -203171.5141 2522.8088 0.0000 0.0000 51696.3635 -109792.2835 297.0997 -161488.6470 -109448.2200 298.4171 -151.4370 -118.1398 762703.7296 -2.1436 -2.2242 PRESSURE: 1436600 -24.8143 -82.9803 93.3387 -82.9793 284.293 -165.718 93.3388 -165.717 -152.593 GPRESSURE: 1436600 79.0279 10.192 114.019 3.93985 221.685 -145.738 113.89 -263.178 -122.041 PRESSAVG: 1436600 67.3471 -21.324 0.600698 -21.3241 -49.22 -30.147 0.600752 -30.1469 5.54408 GPRESSAVG: 1436600 67.8024 -22.3893 -1.2056 -20.7771 -47.9798 -30.437 2.47636 -31.2488 4.04769 TIMING: 1436600 CPU: 4526.61, 0.00314366/step Wall: 4526.61, 0.00314366/step, 3.1117 hours remaining, 239.042969 MB of memory in use. ENERGY: 1436600 3999.6799 20589.3751 14363.2423 263.6922 -203746.7665 2712.1236 0.0000 0.0000 52035.3874 -109783.2659 299.0481 -161818.6534 -109430.5497 298.4857 35.6283 59.5576 760924.9205 7.8904 7.9568 PRESSURE: 1436800 -47.8075 66.4469 -186.145 66.4464 35.8601 153.23 -186.145 153.229 -335.76 GPRESSURE: 1436800 -8.47065 -6.16457 -207.465 109.766 102.024 190.575 -92.6074 121.838 -359.161 PRESSAVG: 1436800 0.387789 45.3138 49.8269 45.3138 55.1866 -29.2122 49.8269 -29.2123 19.4738 GPRESSAVG: 1436800 -0.776602 48.1058 50.5607 44.5314 55.2898 -30.1384 49.2012 -28.6903 20.0566 TIMING: 1436800 CPU: 4527.24, 0.00314968/step Wall: 4527.24, 0.00314968/step, 3.11748 hours remaining, 239.042969 MB of memory in use. ENERGY: 1436800 3955.2121 20286.6994 14388.5596 251.3907 -203211.3897 2320.5703 0.0000 0.0000 52036.7522 -109972.2054 299.0559 -162008.9576 -109609.5749 298.1371 -115.9026 -88.5360 761830.0815 25.0160 24.8566 PRESSURE: 1437000 2.65637 -87.3351 -206.82 -87.3348 331.928 96.3122 -206.82 96.312 120.037 GPRESSURE: 1437000 115.832 -24.0397 -247.958 -107.164 331.932 165.307 -192.775 46.0677 88.0139 PRESSAVG: 1437000 -16.1017 -16.9381 25.8631 -16.9381 -17.4153 10.19 25.8631 10.19 -11.8706 GPRESSAVG: 1437000 -15.4158 -16.9278 25.8442 -18.8553 -18.0413 10.7457 27.0489 10.296 -12.0704 TIMING: 1437000 CPU: 4527.87, 0.00314176/step Wall: 4527.87, 0.00314176/step, 3.10946 hours remaining, 239.042969 MB of memory in use. ENERGY: 1437000 3926.2563 20594.5250 14360.8341 253.3148 -203217.3193 2519.2104 0.0000 0.0000 51698.9633 -109864.2153 297.1147 -161563.1786 -109507.8685 298.0273 151.5405 178.5925 760844.1488 -15.1292 -15.1758 PRESSURE: 1437200 -87.6721 78.8804 88.5364 78.8806 -68.7709 -10.8867 88.5361 -10.8853 -466.216 GPRESSURE: 1437200 -167.584 42.7566 124.399 72.6702 -8.25004 -50.701 120.335 16.9572 -378.24 PRESSAVG: 1437200 -12.1311 34.2065 -17.7982 34.2065 5.86891 -22.4923 -17.7981 -22.4923 -10.0013 GPRESSAVG: 1437200 -12.0243 32.6293 -17.0112 35.233 5.71884 -21.2198 -19.4861 -22.0299 -10.1513 TIMING: 1437200 CPU: 4528.51, 0.00316766/step Wall: 4528.51, 0.00316766/step, 3.13493 hours remaining, 239.042969 MB of memory in use. ENERGY: 1437200 4003.8779 20442.3337 14434.5645 236.6776 -203056.1109 2228.1995 0.0000 0.0000 51909.7289 -109800.7288 298.3259 -161710.4577 -109446.3963 298.2893 -207.5529 -184.6915 761054.9687 -5.4212 -5.4856 PRESSURE: 1437400 -359.806 -141.998 -148.634 -141.997 -37.2079 -72.053 -148.634 -72.0527 11.6632 GPRESSURE: 1437400 -266.02 -149.577 -157.01 -167.887 -92.0413 -73.1888 -84.4791 -150.627 69.6837 PRESSAVG: 1437400 -6.01273 -26.3066 7.13132 -26.3066 30.0413 2.90747 7.13132 2.90753 -8.5855 GPRESSAVG: 1437400 -6.1104 -26.9515 7.49137 -24.3461 28.9385 1.56544 6.267 3.02008 -7.50739 TIMING: 1437400 CPU: 4529.14, 0.00315931/step Wall: 4529.14, 0.0031593/step, 3.12648 hours remaining, 239.042969 MB of memory in use. ENERGY: 1437400 3945.7647 20450.6925 14471.4568 242.7439 -203488.2121 2504.9063 0.0000 0.0000 52046.2124 -109826.4354 299.1103 -161872.6478 -109453.3548 298.5892 -128.4502 -96.1259 760434.8887 5.1477 5.1069 PRESSURE: 1437600 48.1116 -171.862 -22.0031 -171.862 151.417 -310.218 -22.003 -310.219 232.939 GPRESSURE: 1437600 52.7442 -188.93 82.8729 -100.402 264.428 -371.341 -120.21 -333.098 193.296 PRESSAVG: 1437600 2.78918 -18.2448 12.8801 -18.2448 30.9006 -6.01645 12.88 -6.01649 -1.33664 GPRESSAVG: 1437600 1.95568 -15.327 12.6335 -19.3442 32.2268 -6.45929 13.1809 -7.01087 -2.56535 TIMING: 1437600 CPU: 4529.77, 0.00315305/step Wall: 4529.77, 0.00315305/step, 3.12012 hours remaining, 239.042969 MB of memory in use. ENERGY: 1437600 3993.7881 20427.2818 14439.2293 256.7215 -203391.2513 2664.6171 0.0000 0.0000 51934.9640 -109674.6494 298.4710 -161609.6134 -109310.0514 298.4830 144.1557 170.1561 760783.3304 10.7844 10.5390 PRESSURE: 1437800 138.399 246.738 -137.75 246.739 -279.668 129.308 -137.75 129.308 -89.3977 GPRESSURE: 1437800 131.718 181.052 -183.644 264.387 -190.032 172.625 -1.31666 125.389 -87.4545 PRESSAVG: 1437800 -11.4953 -47.5952 19.7098 -47.5952 26.764 58.3422 19.7099 58.3421 10.6785 GPRESSAVG: 1437800 -10.5522 -50.5794 18.5802 -47.2968 26.0859 59.5816 19.2504 58.3536 10.7344 TIMING: 1437800 CPU: 4530.4, 0.00314922/step Wall: 4530.4, 0.00314922/step, 3.11615 hours remaining, 239.042969 MB of memory in use. ENERGY: 1437800 4032.0540 20291.0472 14448.2683 250.6260 -203299.3521 2381.7159 0.0000 0.0000 52289.6397 -109606.0009 300.5093 -161895.6406 -109228.9577 298.9256 -76.8890 -48.5896 760674.6820 8.6490 8.7560 PRESSURE: 1438000 -23.7996 172.23 127.389 172.23 -221.536 318.603 127.389 318.602 -175.451 GPRESSURE: 1438000 44.5028 127.682 181.648 91.0805 -180.414 289.476 224.748 366.857 -203.626 PRESSAVG: 1438000 1.64473 7.71486 30.2629 7.71487 28.2602 -10.4659 30.2629 -10.4661 1.02312 GPRESSAVG: 1438000 1.09884 7.81874 30.009 9.27775 28.5625 -11.4476 31.7285 -7.74864 1.22533 TIMING: 1438000 CPU: 4531.03, 0.00313821/step Wall: 4531.03, 0.00313821/step, 3.10509 hours remaining, 239.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1438000 3966.0937 20489.2301 14443.2156 222.0200 -203186.2976 2295.7990 0.0000 0.0000 52077.5939 -109692.3454 299.2906 -161769.9393 -109324.7711 298.8969 -140.2623 -113.1793 760647.2850 10.3094 10.2955 PRESSURE: 1438200 150.766 -196.403 -26.9846 -196.404 -75.844 50.7439 -26.9843 50.7439 -370.333 GPRESSURE: 1438200 234.079 -266.365 -73.184 -68.0849 -92.5199 49.7984 3.3976 55.1171 -368.431 PRESSAVG: 1438200 -40.9923 40.2811 5.50141 40.2811 19.9843 8.03287 5.50137 8.03285 30.2928 GPRESSAVG: 1438200 -40.1119 43.0911 4.74912 37.4072 19.5017 7.29978 7.35283 6.26056 30.0428 TIMING: 1438200 CPU: 4531.66, 0.00314802/step Wall: 4531.66, 0.00314802/step, 3.11461 hours remaining, 239.042969 MB of memory in use. ENERGY: 1438200 4019.6869 20445.8889 14421.4829 256.2732 -203231.3324 2513.5184 0.0000 0.0000 51771.0434 -109803.4387 297.5289 -161574.4821 -109452.9709 298.7364 -98.4704 -75.6240 760982.7699 3.0949 3.1442 PRESSURE: 1438400 112.469 31.4098 -146.337 31.4089 -20.9082 -203.976 -146.336 -203.977 -27.6643 GPRESSURE: 1438400 90.7153 58.7056 -172.46 61.2593 58.8361 -108.463 -151.65 -265.922 -7.25698 PRESSAVG: 1438400 -45.0939 35.3186 37.9526 35.3185 28.4328 -8.1716 37.9525 -8.17158 14.7899 GPRESSAVG: 1438400 -46.507 32.21 38.4428 37.2957 28.8484 -6.86425 37.232 -7.37492 15.7479 TIMING: 1438400 CPU: 4532.29, 0.0031554/step Wall: 4532.29, 0.0031554/step, 3.12174 hours remaining, 239.042969 MB of memory in use. ENERGY: 1438400 3959.1994 20483.0506 14416.3148 245.9391 -203327.6345 2585.8910 0.0000 0.0000 51968.9526 -109668.2871 298.6663 -161637.2397 -109316.2432 298.7664 21.2987 47.4315 761680.5814 -0.6237 -0.6369 PRESSURE: 1438600 -55.3837 26.3951 128.952 26.3946 50.4017 152.088 128.951 152.088 261.773 GPRESSURE: 1438600 8.68766 44.6521 5.38686 -79.9186 8.86933 181.571 -36.6883 -12.8536 327.652 PRESSAVG: 1438600 -35.6176 13.2993 43.0673 13.2993 22.1401 -6.00522 43.0673 -6.00519 -0.838977 GPRESSAVG: 1438600 -34.9778 16.259 43.1598 12.2714 21.2068 -5.53467 41.5351 -6.79057 -0.614506 TIMING: 1438600 CPU: 4532.92, 0.00314869/step Wall: 4532.92, 0.00314869/step, 3.11493 hours remaining, 239.042969 MB of memory in use. ENERGY: 1438600 3931.4642 20430.8769 14419.4355 277.0664 -203310.6276 2435.9976 0.0000 0.0000 52027.3256 -109788.4614 299.0018 -161815.7870 -109431.1341 298.4087 85.5970 115.0696 761515.8472 -4.7722 -4.7952 PRESSURE: 1438800 32.1063 116.434 192.123 116.434 -264.492 -148.698 192.123 -148.698 -161.952 GPRESSURE: 1438800 68.3279 236.817 189.203 66.7453 -176.825 -180.922 93.8924 -121.676 -205.91 PRESSAVG: 1438800 -28.2996 -8.30507 2.95468 -8.30515 29.6099 14.7721 2.95476 14.7722 3.53008 GPRESSAVG: 1438800 -28.8153 -10.1186 4.94944 -6.73893 30.837 13.8966 2.26973 15.4363 2.06492 TIMING: 1438800 CPU: 4533.55, 0.00315732/step Wall: 4533.55, 0.00315732/step, 3.12329 hours remaining, 239.042969 MB of memory in use. ENERGY: 1438800 3914.0017 20358.5788 14348.6032 261.0956 -203177.7815 2423.0090 0.0000 0.0000 51958.5507 -109913.9425 298.6065 -161872.4932 -109541.4261 298.4146 -131.4458 -104.8024 763137.4822 1.6135 1.3622 PRESSURE: 1439000 -370.399 -133.755 79.4517 -133.756 -67.6581 199.739 79.4512 199.74 -368.902 GPRESSURE: 1439000 -306.02 -142.355 120.022 -98.0207 -67.7826 178.79 54.6546 99.4544 -350.686 PRESSAVG: 1439000 -40.1737 10.8824 23.8371 10.8824 53.5298 15.4286 23.837 15.4286 -14.9331 GPRESSAVG: 1439000 -39.6329 11.847 21.3564 8.63085 52.7515 15.0827 25.8718 16.264 -14.4042 TIMING: 1439000 CPU: 4534.18, 0.00317207/step Wall: 4534.18, 0.00317207/step, 3.1377 hours remaining, 239.042969 MB of memory in use. ENERGY: 1439000 4083.3917 20461.4640 14475.7579 240.9919 -203258.0963 2479.5814 0.0000 0.0000 51866.1657 -109650.7436 298.0756 -161516.9093 -109296.4367 298.3973 -268.9863 -241.4963 762834.3561 -0.5256 -0.4285 PRESSURE: 1439200 276.667 -80.9859 137.76 -80.9867 -176.584 -102.471 137.758 -102.471 458.915 GPRESSURE: 1439200 298.136 48.55 233.033 -83.008 -70.5844 -116.989 -8.64225 -24.6664 412.931 PRESSAVG: 1439200 -33.3114 -27.6359 59.8614 -27.6359 20.762 -19.8704 59.8614 -19.8703 13.0639 GPRESSAVG: 1439200 -34.4009 -27.933 61.7914 -26.9157 21.2634 -19.436 58.056 -20.1793 12.9898 TIMING: 1439200 CPU: 4534.81, 0.00315365/step Wall: 4534.81, 0.00315365/step, 3.11931 hours remaining, 239.042969 MB of memory in use. ENERGY: 1439200 3963.1096 20563.8047 14474.0305 240.1448 -203422.6184 2678.8762 0.0000 0.0000 52183.9168 -109318.7357 299.9017 -161502.6526 -108958.3549 299.3867 186.3323 213.4940 760930.2839 0.1715 -0.0492 PRESSURE: 1439400 469.505 35.8218 115.514 35.822 109.908 136.506 115.514 136.505 -107.221 GPRESSURE: 1439400 453.293 115.548 10.497 55.1252 175.058 171.623 18.7193 180.277 -72.8233 PRESSAVG: 1439400 46.4318 -62.7686 84.1105 -62.7686 -59.3049 -10.6604 84.1106 -10.6603 5.49912 GPRESSAVG: 1439400 46.464 -60.8008 82.8398 -63.124 -59.9688 -8.23963 83.4195 -11.4601 6.18861 TIMING: 1439400 CPU: 4535.44, 0.0031547/step Wall: 4535.44, 0.00315471/step, 3.12018 hours remaining, 239.042969 MB of memory in use. ENERGY: 1439400 3974.2934 20451.5008 14443.6051 246.1822 -203056.2170 2713.6214 0.0000 0.0000 52130.8878 -109096.1263 299.5969 -161227.0141 -108722.5464 300.0429 157.3975 185.1760 762235.4760 -2.4580 -2.4387 PRESSURE: 1439600 93.5989 -372.803 183.437 -372.803 230.054 145.406 183.436 145.406 50.8578 GPRESSURE: 1439600 198.36 -351.751 207.414 -368.491 218.825 208.692 127.772 138.481 50.1088 PRESSAVG: 1439600 30.6511 -27.3025 43.6901 -27.3025 -44.758 16.1513 43.6902 16.1514 -13.3184 GPRESSAVG: 1439600 31.0442 -28.6956 43.1818 -27.2793 -44.3177 15.6921 44.3214 15.1838 -13.9704 TIMING: 1439600 CPU: 4536.08, 0.00316082/step Wall: 4536.08, 0.00316082/step, 3.12605 hours remaining, 239.042969 MB of memory in use. ENERGY: 1439600 3996.2038 20608.1443 14454.4887 241.2221 -203490.7216 2692.1114 0.0000 0.0000 52249.4498 -109249.1015 300.2783 -161498.5513 -108888.9653 299.9123 124.8368 155.7645 760808.0111 -9.1417 -9.0813 PRESSURE: 1439800 12.7347 -89.7718 248.409 -89.7717 321.571 -17.9801 248.409 -17.9787 309.733 GPRESSURE: 1439800 62.4849 18.9073 238.109 -99.9392 318.623 -99.0453 226.164 89.3805 353.829 PRESSAVG: 1439800 -33.0238 -43.0177 51.2291 -43.0177 -10.5276 27.7483 51.2291 27.7483 1.25225 GPRESSAVG: 1439800 -33.134 -40.7405 52.1242 -43.3775 -10.8281 24.7568 51.9047 29.1218 1.354 TIMING: 1439800 CPU: 4536.7, 0.00314054/step Wall: 4536.7, 0.00314054/step, 3.10582 hours remaining, 239.042969 MB of memory in use. ENERGY: 1439800 3972.3573 20482.4204 14493.3549 237.6265 -203309.3616 2936.7349 0.0000 0.0000 51928.0751 -109258.7925 298.4314 -161186.8676 -108892.3677 299.8292 214.6796 244.9792 762209.9526 -14.0997 -14.2027 PRESSURE: 1440000 -52.7556 -60.8975 -183.955 -60.8976 40.965 -41.2777 -183.957 -41.2789 193.087 GPRESSURE: 1440000 27.3071 -27.9366 -168.184 54.6624 92.6307 26.253 -156.313 -68.3423 162.422 PRESSAVG: 1440000 -3.15544 -41.72 0.998183 -41.72 -12.5748 30.0083 0.9982 30.0083 -18.3721 GPRESSAVG: 1440000 -3.16101 -42.5526 0.154131 -40.2167 -13.1603 30.575 1.73274 29.9976 -17.606 TIMING: 1440000 CPU: 4537.33, 0.00314896/step Wall: 4537.33, 0.00314896/step, 3.11397 hours remaining, 239.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1440000 3992.6381 20521.9309 14414.4886 246.4706 -202985.2937 2494.4245 0.0000 0.0000 52069.9542 -109245.3868 299.2467 -161315.3410 -108873.9071 299.5126 60.4322 94.1199 761193.4109 -11.3674 -11.3091 PRESSURE: 1440200 -131.447 -96.4821 116.329 -96.4826 118.405 70.9758 116.329 70.974 -197.269 GPRESSURE: 1440200 -105.026 -76.7209 115.493 -173.656 61.7483 8.99891 -111.984 -27.49 -87.2667 PRESSAVG: 1440200 -5.55642 -22.7077 17.5523 -22.7077 -11.1095 -4.37615 17.5523 -4.37613 -16.5833 GPRESSAVG: 1440200 -4.86065 -24.166 18.2817 -24.9396 -11.8498 -4.0737 18.3271 -3.82861 -16.6222 TIMING: 1440200 CPU: 4537.96, 0.00314274/step Wall: 4537.96, 0.00314274/step, 3.10764 hours remaining, 239.042969 MB of memory in use. ENERGY: 1440200 4008.1731 20546.0685 14481.6250 245.0114 -203258.4257 2707.2001 0.0000 0.0000 51936.9260 -109333.4215 298.4822 -161270.3475 -108970.3939 299.6352 -70.1034 -43.5149 761168.1454 -11.0831 -11.1109 LDB: ============= START OF LOAD BALANCING ============== 4550.36 LDB: ============== END OF LOAD BALANCING =============== 4550.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4550.36 LDB: ============= START OF LOAD BALANCING ============== 4550.68 LDB: Largest compute 7031 load 0.032230 is 16.4% of average load 0.195987 LDB: Average compute 0.004376 is 2.2% of average load 0.195987 LDB: TIME 4550.68 LOAD: AVG 0.195987 MAX 0.21432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.035 MB LDB: TIME 4550.68 LOAD: AVG 0.195987 MAX 0.21432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.035 MB LDB: TIME 4550.68 LOAD: AVG 0.195987 MAX 0.21432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.035 MB LDB: ============== END OF LOAD BALANCING =============== 4550.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4550.69 PRESSURE: 1440400 -240.394 -158.286 -28.3493 -158.286 -154.868 167.629 -28.3495 167.629 277.446 GPRESSURE: 1440400 -190.576 -200.997 37.7437 -70.6959 -55.9463 213.6 72.2657 144.782 178.048 PRESSAVG: 1440400 10.3585 -25.6035 -21.8082 -25.6035 -15.9211 -28.913 -21.8082 -28.913 7.37493 GPRESSAVG: 1440400 8.59595 -24.491 -22.8616 -26.2715 -13.7629 -29.4512 -23.7685 -30.3549 6.80684 TIMING: 1440400 CPU: 4538.6, 0.0032056/step Wall: 4538.6, 0.0032056/step, 3.16962 hours remaining, 238.128906 MB of memory in use. ENERGY: 1440400 4009.7436 20672.9424 14528.6287 255.7730 -203719.2554 2760.5860 0.0000 0.0000 52109.0227 -109382.5590 299.4713 -161491.5817 -109029.7468 299.5737 -39.2720 -22.8247 761256.7555 0.6041 0.5466 PRESSURE: 1440600 -136.601 19.8895 132.103 19.8902 24.8399 -182.29 132.104 -182.29 32.6504 GPRESSURE: 1440600 -77.9391 68.5425 108.065 58.8498 -9.31554 -124.42 95.5976 -160.057 91.7673 PRESSAVG: 1440600 -39.5217 22.7949 30.1277 22.7949 51.0346 -37.537 30.1277 -37.5371 -24.2604 GPRESSAVG: 1440600 -38.3123 20.4042 31.0301 25.3376 50.1896 -36.4321 31.8533 -36.4547 -24.5833 TIMING: 1440600 CPU: 4539.23, 0.00315739/step Wall: 4539.23, 0.00315739/step, 3.12178 hours remaining, 238.332031 MB of memory in use. ENERGY: 1440600 4007.1567 20316.6845 14541.6127 252.4873 -203953.4757 2842.9385 0.0000 0.0000 52358.5841 -109634.0118 300.9055 -161992.5959 -109277.4262 299.5974 -26.3704 1.5042 759106.2172 -4.2492 -4.2353 PRESSURE: 1440800 -87.7062 -152.667 27.0707 -152.667 -278.744 -4.16874 27.0714 -4.16713 -354.538 GPRESSURE: 1440800 -130.235 -125.555 -42.136 -69.1695 -264.574 -1.23707 7.5448 15.5621 -245.634 PRESSAVG: 1440800 42.9189 -3.31729 -5.03472 -3.31729 -61.4945 41.4661 -5.03476 41.466 -3.16752 GPRESSAVG: 1440800 41.9209 -1.96087 -5.50138 -3.65819 -61.2385 41.6216 -4.87163 38.6036 -2.68214 TIMING: 1440800 CPU: 4539.87, 0.00315948/step Wall: 4539.87, 0.00315948/step, 3.12367 hours remaining, 238.332031 MB of memory in use. ENERGY: 1440800 3960.1511 20573.8815 14437.7764 256.0684 -202981.2954 2193.2523 0.0000 0.0000 51903.5092 -109656.6566 298.2902 -161560.1658 -109300.1254 298.8009 -240.3294 -213.4810 761988.9149 -7.2477 -7.3332 PRESSURE: 1441000 -95.6192 -131.402 48.4592 -131.402 59.7537 59.8085 48.4596 59.8088 -166.625 GPRESSURE: 1441000 -48.5624 -55.9892 87.9367 -86.4355 130.132 10.0465 17.0321 129.928 -193.545 PRESSAVG: 1441000 -9.13397 -28.102 36.2645 -28.102 3.73843 21.9287 36.2645 21.9286 10.6311 GPRESSAVG: 1441000 -8.45682 -27.7453 36.6603 -28.1487 2.91311 20.7387 34.0817 26.1258 10.7352 TIMING: 1441000 CPU: 4540.5, 0.00314976/step Wall: 4540.5, 0.00314976/step, 3.11389 hours remaining, 238.332031 MB of memory in use. ENERGY: 1441000 3922.3051 20612.6135 14465.4237 248.4826 -203299.8873 2561.0539 0.0000 0.0000 51963.8060 -109526.2025 298.6367 -161490.0085 -109162.1009 298.8484 -67.4968 -37.3250 760815.6143 1.7452 1.7305 PRESSURE: 1441200 29.6557 -22.8319 -74.1944 -22.8311 -154.749 -102.143 -74.1939 -102.144 580.513 GPRESSURE: 1441200 19.0811 -172.394 -33.7414 -4.85683 -96.3432 -76.4191 -87.193 -137.668 613.596 PRESSAVG: 1441200 -30.9993 -28.1253 -1.12332 -28.1252 77.418 14.1586 -1.12333 14.1586 2.44314 GPRESSAVG: 1441200 -32.7705 -29.5881 -1.33071 -29.6082 79.1245 14.5219 1.21084 13.8703 1.66338 TIMING: 1441200 CPU: 4541.13, 0.00315396/step Wall: 4541.13, 0.00315396/step, 3.11787 hours remaining, 238.332031 MB of memory in use. ENERGY: 1441200 3946.6834 20403.3747 14438.0858 265.7852 -203042.1911 2412.9555 0.0000 0.0000 51953.9698 -109621.3366 298.5802 -161575.3064 -109254.0639 298.8013 151.8067 178.7780 761244.9277 16.2873 16.0058 PRESSURE: 1441400 121.99 -16.5299 202.592 -16.5292 -329.817 80.6009 202.592 80.6009 -27.6445 GPRESSURE: 1441400 68.8265 8.54063 139.744 2.42708 -245.323 42.5606 178.607 102.003 36.1086 PRESSAVG: 1441400 -23.7458 -13.5898 -23.7459 -13.5898 -11.3273 -8.55426 -23.7459 -8.5542 2.83022 GPRESSAVG: 1441400 -22.4069 -11.5727 -24.8751 -14.2027 -12.2871 -8.63245 -25.3602 -8.78628 2.95042 TIMING: 1441400 CPU: 4541.76, 0.00316393/step Wall: 4541.76, 0.00316393/step, 3.12754 hours remaining, 238.332031 MB of memory in use. ENERGY: 1441400 4044.9344 20610.8874 14419.1617 251.5989 -203342.1323 2503.1232 0.0000 0.0000 52044.8518 -109467.5748 299.1025 -161512.4266 -109119.2245 298.6904 -78.4906 -46.7959 761997.3110 -10.7476 -10.5812 PRESSURE: 1441600 -358.078 -12.8448 -40.456 -12.8455 -306.438 -121.701 -40.4552 -121.701 -316.963 GPRESSURE: 1441600 -403.519 -41.1136 -51.7376 55.1368 -197.007 -66.0917 -60.8343 -178.579 -282.881 PRESSAVG: 1441600 22.6728 5.67778 -17.3125 5.67775 48.4169 6.32599 -17.3125 6.32608 -7.71455 GPRESSAVG: 1441600 22.5157 4.59283 -14.8143 7.45047 48.269 6.69916 -19.8049 2.94177 -6.71932 TIMING: 1441600 CPU: 4542.39, 0.00315748/step Wall: 4542.39, 0.00315748/step, 3.121 hours remaining, 238.332031 MB of memory in use. ENERGY: 1441600 4029.8411 20530.2910 14439.6165 246.4770 -203347.2494 2522.6549 0.0000 0.0000 51990.4903 -109587.8786 298.7901 -161578.3689 -109222.3583 299.2999 -327.1599 -294.4687 762217.0829 21.1250 21.3551 PRESSURE: 1441800 -204.268 187.409 -76.315 187.409 -144.718 91.2432 -76.3151 91.2428 -243.215 GPRESSURE: 1441800 -145.319 69.6603 -19.0058 114.22 -155.331 104.117 8.91146 127.553 -223.327 PRESSAVG: 1441800 -35.5961 -35.3465 -8.1878 -35.3465 20.8017 61.2674 -8.18776 61.2673 17.8561 GPRESSAVG: 1441800 -36.0066 -34.8339 -9.68191 -34.3037 22.207 61.4548 -4.96854 64.9247 17.1563 TIMING: 1441800 CPU: 4543.02, 0.0031512/step Wall: 4543.02, 0.0031512/step, 3.11461 hours remaining, 238.332031 MB of memory in use. ENERGY: 1441800 4040.1624 20614.4465 14458.1097 238.1009 -202943.4631 2466.9707 0.0000 0.0000 51796.0277 -109329.6451 297.6725 -161125.6728 -108968.2988 299.3878 -197.4002 -174.6589 763083.0138 1.0205 1.1189 PRESSURE: 1442000 238.652 -30.7073 -37.3099 -30.7069 118.606 45.0421 -37.3099 45.0427 478.395 GPRESSURE: 1442000 297.656 -57.6209 -54.7677 -71.9011 135.819 7.48584 -30.5528 81.7706 471.505 PRESSAVG: 1442000 37.0931 -25.9714 -33.579 -25.9714 -7.21001 7.48091 -33.5791 7.48097 3.56539 GPRESSAVG: 1442000 38.1684 -24.8449 -34.2942 -26.2785 -9.02734 7.34085 -33.6627 8.2979 4.49475 TIMING: 1442000 CPU: 4543.66, 0.00317698/step Wall: 4543.66, 0.00317698/step, 3.13992 hours remaining, 238.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1442000 3950.1246 20459.3824 14363.2238 235.6608 -203607.6447 2827.9817 0.0000 0.0000 52191.2664 -109580.0049 299.9439 -161771.2713 -109214.1726 298.7333 278.5510 301.6597 759952.7461 11.1495 11.2119 PRESSURE: 1442200 -66.5863 7.31463 39.7138 7.31591 154.286 75.9551 39.7135 75.955 381.617 GPRESSURE: 1442200 -20.7241 -5.93441 16.9923 -11.6692 156.623 43.6067 82.8267 135.664 410.297 PRESSAVG: 1442200 -20.3608 7.84126 6.22633 7.84127 39.2937 -24.8522 6.22631 -24.8522 14.8408 GPRESSAVG: 1442200 -20.6406 6.62081 6.02415 5.17377 41.2584 -26.4563 6.68974 -25.2838 13.7559 TIMING: 1442200 CPU: 4544.29, 0.00317065/step Wall: 4544.29, 0.00317065/step, 3.13348 hours remaining, 238.332031 MB of memory in use. ENERGY: 1442200 3978.5845 20392.8662 14379.4953 242.4248 -203047.0639 2436.7006 0.0000 0.0000 51912.1830 -109704.8095 298.3400 -161616.9925 -109348.4353 298.5381 156.4389 182.0654 761470.2110 11.2579 11.4579 PRESSURE: 1442400 -258.561 210.764 -54.8543 210.764 -52.3863 -142.138 -54.8545 -142.139 -144.892 GPRESSURE: 1442400 -272.214 226.272 -172.879 31.0396 24.4804 -120.362 -40.3838 -116.754 -121.769 PRESSAVG: 1442400 -37.9192 -82.1109 -26.9488 -82.111 26.5678 -47.5953 -26.9488 -47.5953 25.7905 GPRESSAVG: 1442400 -38.2865 -82.1617 -25.7251 -80.502 26.7769 -47.0282 -28.7239 -48.168 25.917 TIMING: 1442400 CPU: 4544.92, 0.00315969/step Wall: 4544.92, 0.00315969/step, 3.12247 hours remaining, 238.332031 MB of memory in use. ENERGY: 1442400 3987.7212 20387.7101 14428.4079 239.1714 -203317.3287 2560.1606 0.0000 0.0000 52040.7399 -109673.4177 299.0788 -161714.1576 -109310.7959 298.3760 -151.9465 -123.1677 762631.9274 4.8130 4.8025 PRESSURE: 1442600 -0.801592 -5.27771 91.8341 -5.27817 128.397 -135.797 91.8346 -135.796 674.009 GPRESSURE: 1442600 79.6898 24.3324 100.673 -14.6522 151.875 -54.7353 168.026 -88.2665 661.737 PRESSAVG: 1442600 1.25987 -23.2689 -76.3818 -23.2689 13.4044 14.8951 -76.3818 14.8951 23.5986 GPRESSAVG: 1442600 1.80909 -24.4476 -77.3464 -23.1556 12.5747 16.1569 -75.3717 15.3887 23.7412 TIMING: 1442600 CPU: 4545.56, 0.00316975/step Wall: 4545.56, 0.00316975/step, 3.13225 hours remaining, 238.332031 MB of memory in use. ENERGY: 1442600 4002.2415 20371.4738 14415.7354 251.7135 -203626.5524 2913.5157 0.0000 0.0000 51987.3043 -109684.5681 298.7718 -161671.8724 -109321.0239 298.8107 267.2012 297.7670 761098.9411 12.7543 12.7083 PRESSURE: 1442800 -57.0988 20.7544 110.603 20.754 111.148 -62.2168 110.603 -62.2161 130.677 GPRESSURE: 1442800 6.25008 32.6958 68.3284 80.9745 112.9 -42.3463 67.4217 -28.2803 151.473 PRESSAVG: 1442800 -30.4106 0.538506 -34.7499 0.53848 -5.31458 22.2056 -34.7499 22.2055 10.9575 GPRESSAVG: 1442800 -30.7205 2.09986 -33.8951 1.86488 -5.00616 23.1104 -35.6698 19.742 11.4431 TIMING: 1442800 CPU: 4546.19, 0.00316403/step Wall: 4546.19, 0.00316403/step, 3.12641 hours remaining, 238.332031 MB of memory in use. ENERGY: 1442800 4015.1944 20453.9288 14577.4198 228.4616 -203161.1169 2464.8054 0.0000 0.0000 51802.2990 -109619.0081 297.7085 -161421.3070 -109246.6348 298.6367 61.5754 90.2077 762269.3770 -8.2559 -8.0945 PRESSURE: 1443000 -210.298 15.5754 102.98 15.5748 116.514 -57.908 102.979 -57.9077 146.889 GPRESSURE: 1443000 -156.184 150.546 121.303 111.638 185.725 -37.753 147.907 -51.5792 92.4131 PRESSAVG: 1443000 -46.7981 -12.8205 30.2342 -12.8205 72.8409 12.8562 30.2342 12.8563 34.1431 GPRESSAVG: 1443000 -45.783 -13.2948 30.889 -13.2462 72.6187 12.5208 27.6387 13.417 32.5365 TIMING: 1443000 CPU: 4546.82, 0.00317368/step Wall: 4546.82, 0.00317368/step, 3.13578 hours remaining, 238.332031 MB of memory in use. ENERGY: 1443000 4076.2117 20353.6428 14488.5499 249.9858 -202931.2662 2330.0464 0.0000 0.0000 51851.3646 -109581.4650 297.9905 -161432.8296 -109228.1521 298.7942 17.7018 40.6512 760659.9477 20.0620 19.7907 PRESSURE: 1443200 71.4349 119.557 -142.444 119.557 124.133 85.1064 -142.444 85.1057 -257.153 GPRESSURE: 1443200 94.743 59.9584 -95.1149 194.794 94.4189 78.564 62.0149 -33.9861 -174.54 PRESSAVG: 1443200 -20.7502 55.2553 -3.70899 55.2554 13.0172 -35.6549 -3.70904 -35.6549 17.3788 GPRESSAVG: 1443200 -22.0682 56.57 -3.72301 54.3012 12.7119 -37.3793 -0.882981 -35.3399 19.4384 TIMING: 1443200 CPU: 4547.46, 0.00318171/step Wall: 4547.46, 0.0031817/step, 3.14352 hours remaining, 238.332031 MB of memory in use. ENERGY: 1443200 3982.0266 20596.8374 14423.4644 232.3566 -203101.3862 2364.2581 0.0000 0.0000 51950.6192 -109551.8238 298.5609 -161502.4430 -109188.1244 298.9210 -20.5284 4.8741 762377.2823 3.2153 3.3607 PRESSURE: 1443400 -119.564 109.843 -54.4841 109.843 169.827 -26.1048 -54.4834 -26.1057 -75.1506 GPRESSURE: 1443400 -60.179 98.1021 -22.4434 50.8885 186.151 -15.0351 -56.3736 -21.0023 -80.2506 PRESSAVG: 1443400 4.72304 38.368 -36.2604 38.368 -4.46426 -33.2888 -36.2604 -33.2889 -15.8921 GPRESSAVG: 1443400 5.39829 37.4396 -35.7632 37.8929 -5.08885 -31.9799 -37.6803 -31.7352 -16.5784 TIMING: 1443400 CPU: 4548.1, 0.00318051/step Wall: 4548.1, 0.00318052/step, 3.14217 hours remaining, 238.332031 MB of memory in use. ENERGY: 1443400 4034.4910 20375.8517 14476.7435 254.0790 -202916.7064 2427.2175 0.0000 0.0000 51821.5530 -109526.7706 297.8192 -161348.3236 -109156.2714 298.8677 -8.2959 15.2404 761383.2304 -5.2111 -5.4230 PRESSURE: 1443600 -103.612 -322.774 141.414 -322.774 214.722 -48.319 141.413 -48.3186 282.015 GPRESSURE: 1443600 -106.75 -243.326 201.139 -195.8 239.214 63.8498 -27.5973 -281.102 347.887 PRESSAVG: 1443600 -18.7618 59.8905 -57.2734 59.8906 29.522 -52.796 -57.2734 -52.7961 -6.18629 GPRESSAVG: 1443600 -20.1984 57.588 -54.9619 60.629 29.1077 -53.4236 -57.7589 -55.7407 -4.59205 TIMING: 1443600 CPU: 4548.73, 0.00318824/step Wall: 4548.73, 0.00318824/step, 3.14963 hours remaining, 238.332031 MB of memory in use. ENERGY: 1443600 3887.0186 20589.4685 14488.2169 240.6035 -203395.0423 2532.8827 0.0000 0.0000 52061.6601 -109595.1920 299.1991 -161656.8521 -109237.1943 299.4423 131.0416 160.1173 760878.3087 1.5246 1.4391 PRESSURE: 1443800 172.498 181.421 -18.0255 181.421 -145.398 -47.2587 -18.0263 -47.2577 -7.42239 GPRESSURE: 1443800 242.761 288.857 22.6468 144.381 -49.6258 -16.0947 4.37139 -53.5508 -74.9724 PRESSAVG: 1443800 -19.3693 64.2156 27.1762 64.2155 33.0226 -8.70736 27.1762 -8.70734 -8.46579 GPRESSAVG: 1443800 -18.3828 68.1506 25.6395 64.921 34.3093 -7.32324 28.3361 -8.59251 -10.8663 TIMING: 1443800 CPU: 4549.37, 0.00318103/step Wall: 4549.37, 0.00318103/step, 3.14232 hours remaining, 238.332031 MB of memory in use. ENERGY: 1443800 3941.5051 20588.8885 14412.7058 248.3045 -203276.7376 2531.8670 0.0000 0.0000 52169.5051 -109383.9616 299.8189 -161553.4667 -109026.3529 299.0110 6.5592 39.3877 760890.6521 1.7292 1.6867 PRESSURE: 1444000 253.838 81.7168 211.942 81.717 406.406 -84.7962 211.943 -84.7966 -221.045 GPRESSURE: 1444000 324.574 20.4667 181.687 186.92 352.69 -75.6823 280.226 -125.387 -145.794 PRESSAVG: 1444000 17.3331 96.3436 -9.9334 96.3436 -21.7849 32.5513 -9.93341 32.5513 -12.2399 GPRESSAVG: 1444000 16.6037 95.8663 -10.7274 95.1151 -22.9272 30.5198 -7.30335 33.8719 -10.5605 TIMING: 1444000 CPU: 4550.01, 0.00317036/step Wall: 4550.01, 0.00317036/step, 3.13161 hours remaining, 238.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1444000 3971.5925 20523.0043 14419.2147 247.2502 -202979.4804 2580.0085 0.0000 0.0000 51947.7464 -109290.6637 298.5444 -161238.4102 -108927.0318 299.0224 146.3995 177.1565 762463.4731 -5.5639 -5.6280 PRESSURE: 1444200 -27.8165 60.9437 338.983 60.9428 -16.8604 76.6495 338.983 76.6493 -318.983 GPRESSURE: 1444200 135.028 16.2404 354.101 97.1142 -70.1129 51.2806 195.538 -1.39452 -372.763 PRESSAVG: 1444200 -21.4169 71.5843 23.5871 71.5843 16.115 -42.527 23.5871 -42.5271 11.2238 GPRESSAVG: 1444200 -21.4201 70.7127 23.24 72.7606 16.0919 -43.1803 21.8654 -40.3235 11.4698 TIMING: 1444200 CPU: 4550.64, 0.00316097/step Wall: 4550.64, 0.00316097/step, 3.12216 hours remaining, 238.332031 MB of memory in use. ENERGY: 1444200 3943.3781 20593.6144 14430.2381 244.6039 -203051.6473 2231.6614 0.0000 0.0000 52264.5369 -109343.6145 300.3650 -161608.1513 -108976.1311 299.0119 -121.2200 -102.6157 762128.6958 1.9740 2.0472 LDB: ============= START OF LOAD BALANCING ============== 4563.04 LDB: ============== END OF LOAD BALANCING =============== 4563.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4563.04 LDB: ============= START OF LOAD BALANCING ============== 4563.36 LDB: Largest compute 7056 load 0.033178 is 16.9% of average load 0.195980 LDB: Average compute 0.004373 is 2.2% of average load 0.195980 LDB: TIME 4563.36 LOAD: AVG 0.19598 MAX 0.214598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.039 MB LDB: TIME 4563.36 LOAD: AVG 0.19598 MAX 0.214598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.039 MB LDB: TIME 4563.36 LOAD: AVG 0.19598 MAX 0.214598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.039 MB LDB: ============== END OF LOAD BALANCING =============== 4563.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4563.37 PRESSURE: 1444400 269.459 125.576 -3.92878 125.577 278.715 170.497 -3.92983 170.497 133.277 GPRESSURE: 1444400 280.647 111.532 -21.5002 -14.9587 357.356 224.257 -14.9822 146.979 127.369 PRESSAVG: 1444400 29.9807 38.1104 50.6576 38.1104 -6.35234 8.06154 50.6576 8.06143 -3.99102 GPRESSAVG: 1444400 30.4988 38.0152 51.3716 37.5154 -6.15505 9.57727 51.0437 6.92151 -5.23793 TIMING: 1444400 CPU: 4551.29, 0.00324147/step Wall: 4551.29, 0.00324147/step, 3.20149 hours remaining, 238.667969 MB of memory in use. ENERGY: 1444400 4005.8948 20517.6230 14539.6055 241.1656 -203640.1909 2984.2929 0.0000 0.0000 51947.7796 -109403.8294 298.5446 -161351.6090 -109045.0643 299.2454 227.1503 255.1240 761274.6334 6.5458 6.3686 PRESSURE: 1444600 -85.656 86.7002 -172.636 86.6997 -336.305 217.53 -172.637 217.528 -398.266 GPRESSURE: 1444600 -17.6996 45.5278 -134.644 210.473 -234.996 211.765 -89.7501 233.024 -468.467 PRESSAVG: 1444600 -20.8604 52.7451 20.6333 52.7451 16.8788 -8.51648 20.6333 -8.51645 -26.3368 GPRESSAVG: 1444600 -20.7802 50.5273 21.0926 53.0843 17.4638 -10.1416 20.0931 -8.95582 -26.0624 TIMING: 1444600 CPU: 4551.92, 0.00317266/step Wall: 4551.92, 0.00317266/step, 3.13336 hours remaining, 238.792969 MB of memory in use. ENERGY: 1444600 4023.3179 20428.9771 14525.6934 246.1183 -203055.2309 2277.0905 0.0000 0.0000 52197.9407 -109356.0931 299.9823 -161554.0338 -108991.1866 298.9633 -273.4090 -240.3876 761944.8739 -10.1061 -9.7929 PRESSURE: 1444800 327.122 -3.28 -122.8 -3.27981 278.013 -4.12434 -122.8 -4.12337 -215.45 GPRESSURE: 1444800 230.116 -24.3918 -184.266 -118.978 331.822 -87.6628 115.926 -57.3386 -82.6598 PRESSAVG: 1444800 -3.45199 44.9606 38.1687 44.9606 26.684 -11.681 38.1687 -11.681 14.0123 GPRESSAVG: 1444800 -5.01567 48.3 36.7538 45.2814 27.6547 -11.43 40.1537 -11.932 14.4138 TIMING: 1444800 CPU: 4552.55, 0.0031634/step Wall: 4552.55, 0.0031634/step, 3.12403 hours remaining, 238.792969 MB of memory in use. ENERGY: 1444800 3955.6119 20534.2465 14429.7757 251.5080 -203153.9754 2595.7630 0.0000 0.0000 52045.3223 -109341.7480 299.1052 -161387.0703 -108970.6935 299.2023 129.8947 159.7592 761493.5779 12.4148 12.3509 PRESSURE: 1445000 -229.814 25.8431 -38.7214 25.8436 -296.202 145.758 -38.7209 145.758 -26.7921 GPRESSURE: 1445000 -153.926 2.20692 -68.4957 -3.45105 -224.966 105.782 -84.4208 150.571 -89.3618 PRESSAVG: 1445000 -1.26022 37.1428 -30.1245 37.1427 4.93113 45.0901 -30.1245 45.0902 -14.3075 GPRESSAVG: 1445000 -0.400462 37.6593 -29.3094 35.823 4.51571 45.1251 -32.1406 44.4402 -14.9174 TIMING: 1445000 CPU: 4553.19, 0.00316309/step Wall: 4553.19, 0.00316309/step, 3.12356 hours remaining, 238.792969 MB of memory in use. ENERGY: 1445000 4069.1999 20400.2041 14458.3669 254.7057 -203196.0103 2627.3414 0.0000 0.0000 51896.5288 -109489.6635 298.2501 -161386.1923 -109122.4904 299.1876 -184.2693 -156.0848 762899.8340 -3.5455 -3.6007 PRESSURE: 1445200 -304.259 -102.176 -141.383 -102.175 -272.114 29.8855 -141.383 29.8861 54.6991 GPRESSURE: 1445200 -267.086 -44.8692 -145.247 -11.2524 -201.388 2.58512 -120.678 4.97244 20.2281 PRESSAVG: 1445200 -8.72998 37.4406 5.46827 37.4407 -2.61658 -29.3958 5.46826 -29.3957 -30.8846 GPRESSAVG: 1445200 -8.69508 35.7865 6.39539 38.8565 -2.17757 -28.2335 5.26778 -29.9817 -30.451 TIMING: 1445200 CPU: 4553.82, 0.00317594/step Wall: 4553.82, 0.00317594/step, 3.13607 hours remaining, 238.792969 MB of memory in use. ENERGY: 1445200 3967.8162 20431.7109 14508.6949 247.4492 -203261.3769 2550.3902 0.0000 0.0000 52047.9373 -109507.3782 299.1202 -161555.3155 -109144.8602 298.7279 -173.8913 -149.4150 762226.7143 -14.0770 -13.7746 PRESSURE: 1445400 155.262 138.558 225.228 138.558 190.894 93.4555 225.229 93.4549 -205.349 GPRESSURE: 1445400 76.212 165.357 152.886 111.071 320.118 112.672 159.141 121.997 -201.445 PRESSAVG: 1445400 45.8667 -13.5737 12.5889 -13.5738 -49.5398 11.4709 12.5889 11.4709 31.6937 GPRESSAVG: 1445400 46.1706 -12.4251 10.907 -14.4308 -50.7409 9.40744 13.5778 13.3753 31.8329 TIMING: 1445400 CPU: 4554.45, 0.00317043/step Wall: 4554.45, 0.00317043/step, 3.13045 hours remaining, 238.792969 MB of memory in use. ENERGY: 1445400 4039.5017 20421.0704 14510.7039 240.6995 -203429.4321 2682.6719 0.0000 0.0000 52043.1890 -109491.5957 299.0929 -161534.7846 -109136.2682 298.8563 46.9356 64.9618 761930.7263 9.3402 9.0875 PRESSURE: 1445600 241.272 -63.9816 -72.1523 -63.9818 105.247 135.646 -72.1528 135.646 584.621 GPRESSURE: 1445600 220.231 -70.0076 -11.1565 14.2784 183.711 88.698 -123.283 73.5163 609.901 PRESSAVG: 1445600 -1.71069 5.6127 1.47789 5.61275 -4.10085 -52.3995 1.47787 -52.3995 8.01316 GPRESSAVG: 1445600 -1.51779 4.38177 3.1248 7.45551 -4.61438 -49.9797 0.465061 -53.1789 7.90128 TIMING: 1445600 CPU: 4555.09, 0.00315336/step Wall: 4555.09, 0.00315336/step, 3.11342 hours remaining, 238.812500 MB of memory in use. ENERGY: 1445600 4010.9364 20509.8423 14467.2120 244.1365 -203373.3878 2761.2523 0.0000 0.0000 51939.0058 -109441.0024 298.4942 -161380.0082 -109079.5120 299.0790 310.3800 337.9476 762828.9676 0.7339 0.5897 PRESSURE: 1445800 234.547 -76.6364 -43.0364 -76.6367 94.423 62.9445 -43.0372 62.9448 227.04 GPRESSURE: 1445800 289.804 -87.8819 -46.0497 -90.6293 152.434 82.8112 80.9824 -98.7487 216.319 PRESSAVG: 1445800 -5.48268 11.0618 28.2428 11.0617 34.4174 29.6878 28.2429 29.6878 47.1208 GPRESSAVG: 1445800 -6.93395 11.2313 28.4216 10.5474 36.219 30.6239 28.2111 27.8839 47.0353 TIMING: 1445800 CPU: 4555.72, 0.00314815/step Wall: 4555.72, 0.00314815/step, 3.1081 hours remaining, 238.812500 MB of memory in use. ENERGY: 1445800 3914.7956 20335.8941 14531.9229 244.2061 -203648.4706 2851.1054 0.0000 0.0000 52226.1925 -109544.3540 300.1446 -161770.5465 -109175.1688 298.8580 185.3368 219.5193 762243.2246 25.3519 25.4401 PRESSURE: 1446000 239.512 -50.1928 -61.1969 -50.1918 -35.5576 -81.6823 -61.1967 -81.6828 271.504 GPRESSURE: 1446000 275.504 -78.7525 -31.9807 -14.7166 74.8307 -74.0527 -76.0301 12.1453 221.358 PRESSAVG: 1446000 -42.0978 11.7937 -18.2694 11.7936 11.2749 12.9188 -18.2695 12.9187 -2.31071 GPRESSAVG: 1446000 -40.2632 12.9691 -19.1316 12.3381 8.9076 10.9181 -17.832 16.305 -1.54956 TIMING: 1446000 CPU: 4556.35, 0.00316248/step Wall: 4556.35, 0.00316248/step, 3.12207 hours remaining, 238.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1446000 3948.7848 20470.7529 14345.0912 242.5114 -203862.9718 2991.0316 0.0000 0.0000 52203.1883 -109661.6116 300.0124 -161864.7999 -109294.2727 298.7745 158.4861 190.5642 761857.9139 -11.0445 -10.9684 PRESSURE: 1446200 -182.671 27.5856 -142.613 27.5852 34.7921 -229.509 -142.612 -229.508 7.17136 GPRESSURE: 1446200 -149.916 23.0953 -139.172 93.7085 61.0374 -248.861 30.4877 -229.31 21.4329 PRESSAVG: 1446200 11.7703 26.9343 -17.9115 26.9343 2.57507 -0.777815 -17.9114 -0.777853 4.82099 GPRESSAVG: 1446200 10.5913 26.406 -19.2159 25.9385 3.87976 1.27856 -16.2579 -4.63275 4.49608 TIMING: 1446200 CPU: 4556.99, 0.00319402/step Wall: 4556.99, 0.00319402/step, 3.15303 hours remaining, 238.812500 MB of memory in use. ENERGY: 1446200 3916.1999 20503.9479 14435.7711 235.0759 -203222.1977 2607.8482 0.0000 0.0000 51904.6652 -109618.6894 298.2968 -161523.3547 -109253.8728 298.0458 -46.9025 -22.4818 762022.7270 6.3888 6.3224 PRESSURE: 1446400 278.889 -13.7644 -75.5249 -13.7634 -63.4984 -9.34789 -75.5242 -9.34731 226.378 GPRESSURE: 1446400 278.508 -52.3966 -38.1953 53.6595 -49.6354 65.418 -87.1741 -28.1892 281.026 PRESSAVG: 1446400 15.1605 61.1183 -8.88332 61.1182 -9.25527 -41.2452 -8.88337 -41.2452 12.8128 GPRESSAVG: 1446400 15.462 60.7208 -5.56966 61.3553 -9.02799 -43.5968 -11.1276 -38.6406 11.7718 TIMING: 1446400 CPU: 4557.62, 0.00316349/step Wall: 4557.62, 0.00316349/step, 3.12271 hours remaining, 238.812500 MB of memory in use. ENERGY: 1446400 3907.8245 20577.2970 14477.6934 253.8874 -203725.0610 2768.1791 0.0000 0.0000 52139.7939 -109600.3856 299.6481 -161740.1795 -109239.3061 298.4219 147.2565 169.9665 761283.3817 6.2393 6.0686 PRESSURE: 1446600 -34.8912 -67.7375 -186.971 -67.7377 156.218 -66.43 -186.971 -66.4294 -384.569 GPRESSURE: 1446600 -58.2469 -178.602 -162.378 -61.6029 195.392 -144.998 -135.129 -226.365 -311.774 PRESSAVG: 1446600 28.3145 40.3203 -29.899 40.3203 -31.3869 -22.5098 -29.899 -22.5099 -5.71366 GPRESSAVG: 1446600 27.7963 40.1856 -31.8126 39.8133 -31.5554 -23.034 -26.6211 -22.6478 -4.68041 TIMING: 1446600 CPU: 4558.25, 0.0031654/step Wall: 4558.25, 0.0031654/step, 3.12443 hours remaining, 238.812500 MB of memory in use. ENERGY: 1446600 4031.3398 20583.9400 14529.2074 254.5453 -203790.5402 2762.3423 0.0000 0.0000 51932.8529 -109696.3124 298.4588 -161629.1654 -109351.3730 298.7050 -87.7475 -58.2097 762192.6951 -2.9287 -2.8132 PRESSURE: 1446800 -190.051 -146.309 -269.291 -146.309 256.548 -75.0484 -269.291 -75.0487 33.6175 GPRESSURE: 1446800 -129.498 -55.8302 -277.701 -164.849 279.904 -43.5415 -297.344 35.5704 25.2484 PRESSAVG: 1446800 18.772 5.20506 4.89681 5.20509 3.81427 -34.3612 4.89675 -34.3613 26.4072 GPRESSAVG: 1446800 18.7374 5.09493 3.00482 5.55273 4.0262 -34.1588 3.83803 -34.3245 26.0938 TIMING: 1446800 CPU: 4558.88, 0.00315026/step Wall: 4558.88, 0.00315025/step, 3.1093 hours remaining, 238.800781 MB of memory in use. ENERGY: 1446800 3982.3812 20665.6333 14490.5887 238.6762 -203546.8495 2571.4542 0.0000 0.0000 52041.9231 -109556.1927 299.0856 -161598.1158 -109200.6549 299.1533 33.3715 58.5513 762091.1834 16.3312 16.2858 PRESSURE: 1447000 -280.703 -291.309 -27.2552 -291.31 -65.8429 -101.517 -27.2552 -101.516 126.672 GPRESSURE: 1447000 -201.444 -167.234 14.634 -355.209 -32.237 -45.1297 -80.9474 -182.038 124.914 PRESSAVG: 1447000 19.9711 14.2749 -0.620464 14.275 4.7144 7.43727 -0.620403 7.43718 10.616 GPRESSAVG: 1447000 20.6363 15.8684 1.34873 14.0589 4.82675 10.074 -2.12747 5.51589 10.0047 TIMING: 1447000 CPU: 4559.52, 0.0031882/step Wall: 4559.52, 0.0031882/step, 3.14657 hours remaining, 238.800781 MB of memory in use. ENERGY: 1447000 3990.4114 20576.2371 14424.2237 238.8594 -203585.9315 2691.3721 0.0000 0.0000 52002.4604 -109662.3675 298.8589 -161664.8279 -109298.1543 298.9352 -73.2912 -36.2556 762407.0218 11.7672 11.8226 PRESSURE: 1447200 -61.1116 294.85 -27.2059 294.85 -659.744 66.8634 -27.2062 66.8637 -482.656 GPRESSURE: 1447200 -74.0921 362.298 -23.2039 132.411 -570.386 50.8877 4.17541 143.901 -463.115 PRESSAVG: 1447200 23.3258 15.0487 -26.7765 15.0487 -53.3478 -14.0623 -26.7764 -14.0623 -15.7079 GPRESSAVG: 1447200 22.4559 14.2906 -26.433 16.964 -53.8782 -15.0549 -26.4644 -11.4382 -14.434 TIMING: 1447200 CPU: 4560.16, 0.00319008/step Wall: 4560.16, 0.00319008/step, 3.14826 hours remaining, 238.800781 MB of memory in use. ENERGY: 1447200 3984.5258 20442.7260 14430.6611 248.0522 -203296.2381 2553.1826 0.0000 0.0000 51867.3521 -109769.7383 298.0824 -161637.0904 -109408.8879 298.6509 -401.1708 -369.1977 763202.9599 -15.2433 -15.2854 PRESSURE: 1447400 -74.0902 -147.009 -90.5329 -147.009 10.6784 -320.706 -90.533 -320.706 107.69 GPRESSURE: 1447400 -64.0864 -138.54 -72.8733 -149.83 46.2056 -300.658 -39.2846 -364.275 155.383 PRESSAVG: 1447400 -9.46281 27.5876 -39.4387 27.5876 -2.6582 -15.626 -39.4388 -15.626 7.10029 GPRESSAVG: 1447400 -8.72365 27.0022 -39.7002 25.0556 -1.83657 -16.0681 -37.4412 -13.747 5.19329 TIMING: 1447400 CPU: 4560.79, 0.00315984/step Wall: 4560.79, 0.00315984/step, 3.11823 hours remaining, 238.812500 MB of memory in use. ENERGY: 1447400 3937.6173 20429.0832 14406.4554 261.0641 -203588.0935 2793.4201 0.0000 0.0000 51866.9132 -109893.5402 298.0799 -161760.4534 -109542.3568 298.3376 14.7593 45.8341 761668.0386 -1.6736 -1.7890 PRESSURE: 1447600 52.639 125.89 77.9044 125.89 449.025 -19.6399 77.9039 -19.6402 65.0486 GPRESSURE: 1447600 133.096 57.056 31.4665 74.8484 379.526 -49.5104 31.8905 4.07409 155.442 PRESSAVG: 1447600 -19.6052 -4.85663 33.4583 -4.85664 18.8106 -34.6321 33.4583 -34.6321 -3.27962 GPRESSAVG: 1447600 -19.8851 -5.41758 33.4227 -4.6369 17.7813 -33.3407 33.5569 -36.5836 -2.02542 TIMING: 1447600 CPU: 4561.42, 0.00314899/step Wall: 4561.42, 0.00314899/step, 3.10735 hours remaining, 238.812500 MB of memory in use. ENERGY: 1447600 3885.3692 20468.1461 14439.1242 247.0471 -203593.1562 2869.9250 0.0000 0.0000 51768.4524 -109915.0923 297.5140 -161683.5446 -109560.4103 298.3492 188.9043 222.6882 761020.8749 -1.3581 -1.3764 PRESSURE: 1447800 -232.827 -226.576 -0.639328 -226.575 215.794 30.022 -0.639832 30.0223 -199.739 GPRESSURE: 1447800 -132.23 -151.695 56.7135 -309.533 102.176 94.572 0.193985 -21.2247 -133.831 PRESSAVG: 1447800 12.1784 13.4726 38.9259 13.4726 20.695 -30.0527 38.9259 -30.0526 31.9221 GPRESSAVG: 1447800 11.975 14.8516 39.4885 13.7149 20.6326 -30.7117 38.1068 -30.4525 31.4982 TIMING: 1447800 CPU: 4562.05, 0.00315131/step Wall: 4562.05, 0.00315132/step, 3.10947 hours remaining, 238.812500 MB of memory in use. ENERGY: 1447800 3963.3826 20521.3908 14472.4499 247.1940 -203658.7942 2646.6639 0.0000 0.0000 51935.6006 -109872.1125 298.4746 -161807.7130 -109519.3825 298.4255 -72.2574 -54.6285 762440.9621 21.5985 21.3686 PRESSURE: 1448000 -74.4746 -111.16 122.147 -111.16 -81.4446 -282.308 122.147 -282.308 97.6744 GPRESSURE: 1448000 -6.48303 -104.083 147.19 -38.8838 -44.27 -233.224 98.228 -300.66 85.5406 PRESSAVG: 1448000 -13.5721 -9.89446 37.5734 -9.89439 26.4037 -63.1378 37.5734 -63.1379 13.1002 GPRESSAVG: 1448000 -15.8467 -11.5796 37.1725 -8.46251 28.1052 -61.136 37.1003 -64.752 13.6343 TIMING: 1448000 CPU: 4562.68, 0.0031494/step Wall: 4562.68, 0.0031494/step, 3.10741 hours remaining, 238.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1448000 3999.4017 20187.7607 14419.7767 246.8430 -203412.9671 2602.9117 0.0000 0.0000 51980.5576 -109975.7156 298.7330 -161956.2732 -109619.9402 298.3331 -19.4149 11.5958 762513.3166 8.6439 8.6309 PRESSURE: 1448200 -31.7895 31.8585 -47.2543 31.8587 -200.006 182.032 -47.2547 182.032 284.091 GPRESSURE: 1448200 37.3638 -42.3376 -117.279 -25.7444 -119.338 130.821 129.506 113.986 248.977 PRESSAVG: 1448200 -3.45801 -14.804 25.8504 -14.8041 36.982 -21.5903 25.8504 -21.5903 12.6989 GPRESSAVG: 1448200 -0.907327 -14.2841 24.2427 -15.4673 35.7184 -24.7318 27.3117 -19.7298 11.7346 TIMING: 1448200 CPU: 4563.31, 0.00314127/step Wall: 4563.31, 0.00314127/step, 3.09921 hours remaining, 238.812500 MB of memory in use. ENERGY: 1448200 3917.2757 20525.6651 14499.9716 225.6885 -203252.8578 2303.2480 0.0000 0.0000 52029.7072 -109751.3017 299.0154 -161781.0089 -109388.2293 298.4536 17.4320 55.6677 760340.8526 15.4076 15.5152 LDB: ============= START OF LOAD BALANCING ============== 4575.7 LDB: ============== END OF LOAD BALANCING =============== 4575.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4575.71 LDB: ============= START OF LOAD BALANCING ============== 4576.02 LDB: Largest compute 7030 load 0.031264 is 15.9% of average load 0.196025 LDB: Average compute 0.004366 is 2.2% of average load 0.196025 LDB: TIME 4576.03 LOAD: AVG 0.196025 MAX 0.215085 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.184 MB LDB: TIME 4576.03 LOAD: AVG 0.196025 MAX 0.215085 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.184 MB LDB: TIME 4576.03 LOAD: AVG 0.196025 MAX 0.215085 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.184 MB LDB: ============== END OF LOAD BALANCING =============== 4576.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4576.03 PRESSURE: 1448400 82.6718 22.8316 38.0154 22.8325 -192.606 17.6726 38.0158 17.6721 40.6298 GPRESSURE: 1448400 64.9815 -50.4213 17.9007 8.15473 -118.263 30.1221 -28.9291 -66.6103 71.3876 PRESSAVG: 1448400 -15.2434 -20.7281 25.0746 -20.7281 15.8999 12.6425 25.0746 12.6424 16.2172 GPRESSAVG: 1448400 -16.8479 -19.6601 25.7326 -20.8359 15.4042 14.1696 23.9279 12.2704 17.7828 TIMING: 1448400 CPU: 4563.95, 0.0032076/step Wall: 4563.95, 0.0032076/step, 3.16448 hours remaining, 239.089844 MB of memory in use. ENERGY: 1448400 3913.2535 20511.3454 14504.0867 253.9958 -203482.4046 2812.6186 0.0000 0.0000 52032.7035 -109454.4010 299.0327 -161487.1045 -109092.2012 298.6363 -23.1013 6.0355 761457.1772 5.6246 5.4464 PRESSURE: 1448600 -73.8026 12.3808 -73.5288 12.3807 64.0827 -55.0735 -73.5295 -55.0733 271.315 GPRESSURE: 1448600 2.4876 -4.01653 -23.7846 41.2189 -14.1898 -44.7163 -153.56 -18.1486 369.723 PRESSAVG: 1448600 -47.6314 21.9684 28.3164 21.9683 10.034 -48.4188 28.3163 -48.4189 2.00811 GPRESSAVG: 1448600 -47.66 21.6443 28.5188 20.3991 10.7624 -48.9178 29.2501 -47.343 1.4534 TIMING: 1448600 CPU: 4564.59, 0.00321048/step Wall: 4564.59, 0.00321048/step, 3.16714 hours remaining, 239.222656 MB of memory in use. ENERGY: 1448600 3936.8752 20442.8731 14546.6051 232.6436 -203095.2444 2520.1620 0.0000 0.0000 51836.4541 -109579.6313 297.9048 -161416.0854 -109215.1485 298.6290 87.1982 119.3403 763642.2532 -11.8631 -11.8147 PRESSURE: 1448800 29.0279 78.5666 -25.3017 78.5668 -151.238 -148.417 -25.3029 -148.418 -125.577 GPRESSURE: 1448800 133.003 111.59 7.0504 47.3492 -198.757 -103.338 -55.4193 -235.725 -120.26 PRESSAVG: 1448800 -22.811 49.8003 -0.00564183 49.8004 -19.0502 -31.3353 -0.00554795 -31.3354 29.036 GPRESSAVG: 1448800 -22.7326 49.5966 -0.908946 49.7748 -19.138 -31.5877 0.288429 -33.317 28.3426 TIMING: 1448800 CPU: 4565.22, 0.00316092/step Wall: 4565.22, 0.00316092/step, 3.11807 hours remaining, 239.222656 MB of memory in use. ENERGY: 1448800 3923.2489 20509.8035 14454.9736 232.9262 -203405.6414 2785.1924 0.0000 0.0000 51733.0202 -109766.4766 297.3104 -161499.4968 -109397.8130 298.4596 -82.5957 -62.0046 762390.2513 -4.2751 -4.5093 PRESSURE: 1449000 -199.003 2.25853 16.4674 2.25898 -198.591 47.7113 16.4663 47.712 -289.006 GPRESSURE: 1449000 -112.141 33.4072 7.3888 -14.732 -248.34 100.582 -1.17521 -54.1225 -236.892 PRESSAVG: 1449000 42.0473 -8.64339 -25.6147 -8.64347 -7.69067 0.485023 -25.6148 0.48498 -19.0792 GPRESSAVG: 1449000 41.9142 -7.88208 -21.5061 -7.73587 -7.96044 0.292754 -27.9931 1.28704 -18.306 TIMING: 1449000 CPU: 4565.86, 0.00316888/step Wall: 4565.86, 0.00316888/step, 3.12574 hours remaining, 239.222656 MB of memory in use. ENERGY: 1449000 3893.1016 20525.3872 14452.8764 246.5584 -203285.8895 2527.4937 0.0000 0.0000 51877.5229 -109762.9493 298.1408 -161640.4722 -109395.4400 298.2307 -228.8666 -199.1242 761596.8666 5.0925 5.2159 PRESSURE: 1449200 -161.198 -65.4782 -190.95 -65.4779 -62.9431 205.412 -190.949 205.413 -659.822 GPRESSURE: 1449200 -130.437 -1.57146 -162.257 -25.1502 -4.60059 258.042 -176.8 204.413 -656.472 PRESSAVG: 1449200 23.1351 20.9258 30.1344 20.9256 32.2085 -22.4346 30.1343 -22.4347 7.26095 GPRESSAVG: 1449200 22.8686 20.8283 26.4867 21.1557 33.3468 -21.2915 30.7003 -23.717 7.05707 TIMING: 1449200 CPU: 4566.49, 0.00316179/step Wall: 4566.49, 0.00316179/step, 3.11858 hours remaining, 239.222656 MB of memory in use. ENERGY: 1449200 4046.2504 20354.4529 14456.2844 258.8738 -203398.2678 2845.8158 0.0000 0.0000 51922.2198 -109514.3706 298.3977 -161436.5905 -109145.4319 298.7404 -294.6544 -263.8363 763682.3874 20.8682 21.0908 PRESSURE: 1449400 74.8193 203.866 -18.0418 203.866 8.29409 -82.5069 -18.0418 -82.5064 -111.311 GPRESSURE: 1449400 159.962 132.731 -46.1089 191.438 11.5114 -12.9288 138.306 -31.3196 -121.337 PRESSAVG: 1449400 -2.8188 12.5935 30.5412 12.5936 25.3887 -35.8264 30.5412 -35.8264 11.2648 GPRESSAVG: 1449400 -2.4332 10.1701 31.4931 12.9252 24.6543 -36.3888 30.1223 -33.2349 11.8243 TIMING: 1449400 CPU: 4567.13, 0.00318145/step Wall: 4567.13, 0.00318145/step, 3.1378 hours remaining, 239.222656 MB of memory in use. ENERGY: 1449400 3897.1699 20409.1252 14466.0227 249.5188 -203315.0817 2702.7365 0.0000 0.0000 52099.5145 -109490.9942 299.4166 -161590.5087 -109121.5677 299.0631 -9.3991 16.7121 764631.6928 11.2782 11.3485 PRESSURE: 1449600 -196.987 178.348 157.281 178.348 135.607 -123.323 157.281 -123.322 578.495 GPRESSURE: 1449600 -7.9815 188.434 176.831 261.418 101.062 -118.125 170.942 -218.168 511.761 PRESSAVG: 1449600 -7.91325 -5.88971 -7.55861 -5.88974 36.5963 32.2596 -7.55866 32.2597 -15.8493 GPRESSAVG: 1449600 -7.24206 -6.39284 -6.03544 -6.08163 36.7772 32.5244 -8.16558 30.7074 -16.6498 TIMING: 1449600 CPU: 4567.76, 0.00317124/step Wall: 4567.76, 0.00317124/step, 3.12754 hours remaining, 239.222656 MB of memory in use. ENERGY: 1449600 3964.6500 20532.6793 14462.1771 253.7423 -203243.1277 2615.4179 0.0000 0.0000 51920.9350 -109493.5261 298.3903 -161414.4611 -109132.1127 299.1319 172.3715 201.6139 762027.1269 4.2779 4.2951 PRESSURE: 1449800 -54.5275 24.0604 1.23191 24.0605 11.9205 28.0584 1.2324 28.0585 -68.2298 GPRESSURE: 1449800 -47.5884 -7.05205 -2.20241 31.7786 37.8195 49.3589 -28.3911 54.4649 -13.0814 PRESSAVG: 1449800 -63.5723 -13.2988 -17.2847 -13.2989 14.8168 3.28193 -17.2847 3.28193 6.28359 GPRESSAVG: 1449800 -62.6707 -10.6368 -17.5831 -13.2056 13.6959 2.46766 -16.9419 3.37568 6.44181 TIMING: 1449800 CPU: 4568.39, 0.00316859/step Wall: 4568.39, 0.00316859/step, 3.12476 hours remaining, 239.222656 MB of memory in use. ENERGY: 1449800 3948.6035 20494.3156 14442.3224 249.6852 -203385.3474 2565.1374 0.0000 0.0000 52066.7298 -109618.5535 299.2282 -161685.2834 -109256.7686 298.9133 -36.9456 -7.6168 760756.6873 -14.1573 -14.1777 PRESSURE: 1450000 -81.2883 -68.5983 -226.989 -68.5985 96.2806 -45.1549 -226.988 -45.1545 -50.9184 GPRESSURE: 1450000 -13.0188 -23.1505 -292.408 -64.4699 132.301 -113.689 -118.071 43.5593 -74.8177 PRESSAVG: 1450000 -3.29971 8.03044 19.6801 8.03048 21.8959 -21.6562 19.6801 -21.6561 15.005 GPRESSAVG: 1450000 -6.25297 7.21713 19.1072 7.54875 23.9821 -21.4336 20.6181 -20.973 15.3607 TIMING: 1450000 CPU: 4569.02, 0.00313864/step Wall: 4569.02, 0.00313864/step, 3.09505 hours remaining, 239.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1450000 3912.2357 20464.4443 14505.4630 247.1257 -203465.3225 2511.8242 0.0000 0.0000 51978.3953 -109845.8345 298.7206 -161824.2298 -109477.3074 298.5622 -11.9754 14.8216 761341.4612 11.2004 11.0299 PRESSURE: 1450200 76.3613 147.591 119.724 147.592 -540.857 20.6564 119.724 20.6556 -51.3273 GPRESSURE: 1450200 87.4024 192.743 45.9469 241.199 -498.369 107.96 15.2041 11.7699 -33.1168 PRESSAVG: 1450200 11.2346 -46.0652 9.2427 -46.0653 24.605 -65.6552 9.24273 -65.6552 -3.71278 GPRESSAVG: 1450200 12.4279 -43.7592 8.2142 -45.0022 24.0547 -65.6164 10.9689 -66.4872 -4.42415 TIMING: 1450200 CPU: 4569.65, 0.00314763/step Wall: 4569.65, 0.00314763/step, 3.10374 hours remaining, 239.222656 MB of memory in use. ENERGY: 1450200 4023.5319 20317.1052 14526.1516 243.2157 -203247.8927 2478.0219 0.0000 0.0000 52037.7345 -109622.1319 299.0616 -161659.8665 -109262.2669 298.5492 -171.9409 -148.0278 762458.1265 10.7090 10.6861 PRESSURE: 1450400 160.976 38.6039 89.4073 38.6039 3.27913 30.2531 89.4074 30.2545 142.493 GPRESSURE: 1450400 186.202 26.1051 80.7323 -4.79484 5.56079 13.0054 124.476 -77.8196 193.641 PRESSAVG: 1450400 -1.02979 -25.2034 26.2117 -25.2035 -12.3586 -23.6278 26.2117 -23.6278 40.0764 GPRESSAVG: 1450400 -0.00435206 -27.4506 25.9565 -26.9785 -12.4891 -22.7252 24.8998 -23.8521 40.0291 TIMING: 1450400 CPU: 4570.28, 0.00315652/step Wall: 4570.28, 0.00315653/step, 3.11233 hours remaining, 239.222656 MB of memory in use. ENERGY: 1450400 3977.0692 20423.7520 14423.7560 235.7780 -203916.1188 3021.3330 0.0000 0.0000 52221.5090 -109612.9217 300.1177 -161834.4307 -109247.2620 298.9558 102.2494 128.4681 761926.7634 8.8960 9.1786 PRESSURE: 1450600 -138.823 124.971 -135.732 124.971 -155.476 -60.6531 -135.731 -60.6535 232.452 GPRESSURE: 1450600 -124.792 82.1634 -168.075 157.891 -174.768 24.8981 -128.817 -150.4 310.114 PRESSAVG: 1450600 16.15 -5.64084 -17.765 -5.64091 -14.9366 20.1909 -17.765 20.1909 -1.90237 GPRESSAVG: 1450600 15.1022 -6.39874 -17.4626 -5.81023 -14.7131 19.723 -17.9258 21.5293 -1.09293 TIMING: 1450600 CPU: 4570.91, 0.00314932/step Wall: 4570.91, 0.00314932/step, 3.10506 hours remaining, 239.222656 MB of memory in use. ENERGY: 1450600 3965.9352 20484.9828 14401.3787 239.9674 -203906.1221 2934.8424 0.0000 0.0000 52109.1910 -109769.8247 299.4722 -161879.0157 -109404.7659 298.7218 -20.6156 3.5181 760867.5136 -0.2296 -0.2346 PRESSURE: 1450800 -307.063 -168.132 -13.667 -168.132 68.091 -312.067 -13.6672 -312.067 -275.264 GPRESSURE: 1450800 -204.364 16.8071 -11.1813 -69.2007 53.5486 -233.97 30.0606 -276.82 -266.891 PRESSAVG: 1450800 -19.5369 -60.1114 34.4968 -60.1115 42.9196 -10.6434 34.4969 -10.6434 8.75855 GPRESSAVG: 1450800 -20.1361 -60.1041 35.0402 -58.9744 43.7945 -10.6772 32.7447 -12.6644 8.36414 TIMING: 1450800 CPU: 4571.55, 0.0031884/step Wall: 4571.55, 0.0031884/step, 3.14341 hours remaining, 239.222656 MB of memory in use. ENERGY: 1450800 3968.4048 20402.7978 14429.7268 261.5914 -203251.4580 2487.8389 0.0000 0.0000 51924.2412 -109776.8570 298.4093 -161701.0983 -109413.9567 298.1560 -171.4122 -139.2356 762961.2377 10.7137 10.6742 PRESSURE: 1451000 63.7023 199.409 124.265 199.41 339.067 177.29 124.264 177.289 29.4304 GPRESSURE: 1451000 116.409 243.275 50.9502 180.884 371.918 175.973 186.228 163.322 25.612 PRESSAVG: 1451000 3.23533 -17.4397 -18.9405 -17.4397 38.7972 47.7173 -18.9405 47.7173 -10.6682 GPRESSAVG: 1451000 3.69171 -18.1388 -19.9331 -15.6073 37.4647 45.757 -16.7573 48.9211 -10.3559 TIMING: 1451000 CPU: 4572.18, 0.00314958/step Wall: 4572.18, 0.00314958/step, 3.10497 hours remaining, 239.222656 MB of memory in use. ENERGY: 1451000 3965.1113 20568.3945 14424.2044 240.0065 -203263.2513 2660.6141 0.0000 0.0000 51767.9459 -109636.9746 297.5111 -161404.9205 -109282.6969 298.5532 144.0666 171.3130 761193.1360 10.4548 10.2668 PRESSURE: 1451200 -334.022 14.3712 54.3169 14.3721 301.662 16.1575 54.317 16.1576 491.386 GPRESSURE: 1451200 -246.828 -7.2992 74.2082 124.565 302.313 150.221 -15.0341 40.832 481.657 PRESSAVG: 1451200 -44.4477 -4.40984 31.3579 -4.40989 45.4798 -45.0708 31.3578 -45.0708 19.9857 GPRESSAVG: 1451200 -43.1628 -4.46924 32.1224 -3.71219 44.762 -42.2978 31.6473 -45.5351 20.2428 TIMING: 1451200 CPU: 4572.81, 0.00316164/step Wall: 4572.81, 0.00316164/step, 3.11667 hours remaining, 239.222656 MB of memory in use. ENERGY: 1451200 3892.6903 20517.9590 14394.8324 231.8054 -203476.3589 2726.7154 0.0000 0.0000 52084.9478 -109627.4086 299.3329 -161712.3564 -109264.2421 298.7556 153.0087 179.0470 760734.3351 7.0059 7.2807 PRESSURE: 1451400 -103.58 -42.0955 -115.933 -42.0959 9.45967 393.439 -115.933 393.439 -232.221 GPRESSURE: 1451400 -4.03983 28.0841 -173.623 -80.2191 32.9412 364.934 -145.819 200.79 -265.576 PRESSAVG: 1451400 -61.8103 32.9906 36.3309 32.9906 84.9199 -14.294 36.3309 -14.294 18.22 GPRESSAVG: 1451400 -63.2733 35.6861 35.8218 31.8966 86.1789 -14.3977 34.8689 -15.1988 18.7074 TIMING: 1451400 CPU: 4573.44, 0.00314453/step Wall: 4573.44, 0.00314453/step, 3.09963 hours remaining, 239.222656 MB of memory in use. ENERGY: 1451400 3976.1610 20496.0779 14502.3065 258.9298 -203363.4691 2433.9528 0.0000 0.0000 51899.2479 -109796.7931 298.2657 -161696.0410 -109438.5558 298.1904 -108.7804 -78.8915 761721.4098 13.7765 13.8710 PRESSURE: 1451600 -12.5923 -52.4901 -204.093 -52.4898 -171.651 189.434 -204.092 189.433 -657.298 GPRESSURE: 1451600 -41.8859 15.4945 -106.651 -80.8419 -161.027 252.574 -118.29 105.503 -548.769 PRESSAVG: 1451600 7.99501 -10.5542 -24.9704 -10.5541 25.9686 25.8114 -24.9703 25.8115 25.5805 GPRESSAVG: 1451600 8.06786 -12.4019 -23.5 -11.1927 26.5738 25.4314 -24.7494 26.0734 24.5954 TIMING: 1451600 CPU: 4574.07, 0.00315968/step Wall: 4574.07, 0.00315968/step, 3.11439 hours remaining, 239.222656 MB of memory in use. ENERGY: 1451600 4012.6694 20564.8427 14404.4886 249.0354 -203334.1668 2578.7125 0.0000 0.0000 51720.1807 -109804.2373 297.2366 -161524.4180 -109448.1482 298.4529 -280.5138 -250.5606 762648.7950 19.8481 19.7457 PRESSURE: 1451800 9.9863 -134.508 -165.848 -134.507 -103.966 127.419 -165.849 127.42 -109.412 GPRESSURE: 1451800 -20.2906 -135.775 -79.183 -108.585 -53.3349 207.078 -83.7652 7.28447 -40.8015 PRESSAVG: 1451800 20.891 -49.9451 -46.9293 -49.9451 -48.9883 3.95705 -46.9294 3.95704 20.812 GPRESSAVG: 1451800 22.0941 -49.8615 -46.8838 -51.1474 -50.193 4.78919 -47.0754 3.75684 20.8773 TIMING: 1451800 CPU: 4574.7, 0.00312103/step Wall: 4574.7, 0.00312103/step, 3.07612 hours remaining, 239.222656 MB of memory in use. ENERGY: 1451800 3949.9247 20428.5344 14397.5736 245.5235 -204071.9153 3008.3941 0.0000 0.0000 52155.2658 -109886.6992 299.7370 -162041.9650 -109532.2450 298.6076 -67.7971 -38.1423 762523.7053 -2.4284 -2.4072 PRESSURE: 1452000 96.3242 -166.147 44.485 -166.148 -8.73557 186.335 44.4848 186.333 179.309 GPRESSURE: 1452000 156.908 -139.003 123.444 -108.094 -30.2923 224.928 -5.46452 91.1784 227.274 PRESSAVG: 1452000 26.9445 -28.7513 -5.00746 -28.7512 16.9883 28.6156 -5.00743 28.6156 25.2133 GPRESSAVG: 1452000 24.3872 -27.2236 -7.30492 -27.4065 18.1666 26.6537 -2.47439 29.5021 26.5463 TIMING: 1452000 CPU: 4575.33, 0.00313948/step Wall: 4575.33, 0.00313948/step, 3.09413 hours remaining, 239.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1452000 3872.6287 20582.5096 14379.0450 244.4688 -203600.8069 2593.7360 0.0000 0.0000 52078.3843 -109850.0345 299.2952 -161928.4188 -109488.5676 298.3727 88.9657 117.9631 762547.3544 23.0487 23.0334 PRESSURE: 1452200 -79.2055 4.74614 217.662 4.74691 -590.304 -159.935 217.662 -159.935 -189.063 GPRESSURE: 1452200 -57.0289 -37.8716 214.66 19.3897 -548.397 -103.414 161.455 -297.097 -178.586 PRESSAVG: 1452200 44.5141 29.9416 -18.8234 29.9416 -21.4658 19.8766 -18.8234 19.8765 9.85563 GPRESSAVG: 1452200 46.0908 28.8093 -16.6029 29.3721 -21.9687 20.4072 -21.1861 20.4697 8.54064 TIMING: 1452200 CPU: 4575.96, 0.00316646/step Wall: 4575.96, 0.00316646/step, 3.12055 hours remaining, 239.222656 MB of memory in use. ENERGY: 1452200 4057.8325 20538.5761 14518.8754 256.9947 -203531.9224 2611.7150 0.0000 0.0000 51929.8668 -109618.0619 298.4417 -161547.9287 -109250.0984 298.5999 -286.1910 -261.3371 763827.7744 10.9680 10.8876 LDB: ============= START OF LOAD BALANCING ============== 4588.36 LDB: ============== END OF LOAD BALANCING =============== 4588.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4588.36 LDB: ============= START OF LOAD BALANCING ============== 4588.68 LDB: Largest compute 7031 load 0.031136 is 15.9% of average load 0.196017 LDB: Average compute 0.004367 is 2.2% of average load 0.196017 LDB: TIME 4588.69 LOAD: AVG 0.196017 MAX 0.212625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.984 MB LDB: TIME 4588.69 LOAD: AVG 0.196017 MAX 0.212625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.984 MB LDB: TIME 4588.69 LOAD: AVG 0.196017 MAX 0.212625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.984 MB LDB: ============== END OF LOAD BALANCING =============== 4588.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4588.69 PRESSURE: 1452400 -208.726 -237.58 148.771 -237.58 44.98 29.8719 148.77 29.8709 13.9031 GPRESSURE: 1452400 -188.074 -182.673 112.745 -201.588 109.199 90.3128 152.175 81.1752 -4.93944 PRESSAVG: 1452400 8.35244 -3.12784 -30.9853 -3.12788 13.3456 16.4859 -30.9853 16.4858 1.97394 GPRESSAVG: 1452400 7.72294 -4.03158 -32.3072 -2.75625 12.6457 16.2291 -30.6538 17.5197 3.16007 TIMING: 1452400 CPU: 4576.61, 0.00326961/step Wall: 4576.61, 0.00326961/step, 3.22202 hours remaining, 238.207031 MB of memory in use. ENERGY: 1452400 4023.7158 20636.2465 14460.4037 249.8959 -203622.4990 2827.7540 0.0000 0.0000 51808.9495 -109615.5335 297.7467 -161424.4831 -109257.9163 298.9023 -49.9476 -27.9379 761790.7883 7.8907 7.8429 PRESSURE: 1452600 152.513 -10.3155 183.227 -10.3163 -204.812 -61.8406 183.227 -61.8398 73.1321 GPRESSURE: 1452600 190.267 15.7033 197.093 31.2346 -152.194 -90.7509 184.573 -32.0719 77.3945 PRESSAVG: 1452600 -58.5324 -36.3775 -39.3284 -36.3775 46.66 40.0514 -39.3284 40.0514 -2.92056 GPRESSAVG: 1452600 -59.2367 -35.5429 -37.9269 -35.3235 47.1965 40.3314 -39.19 38.4653 -2.76922 TIMING: 1452600 CPU: 4577.25, 0.00318539/step Wall: 4577.25, 0.00318539/step, 3.13885 hours remaining, 238.207031 MB of memory in use. ENERGY: 1452600 4021.7979 20399.3896 14456.5417 253.9179 -203059.3547 2372.6764 0.0000 0.0000 51898.7082 -109656.3230 298.2626 -161555.0311 -109293.6592 298.2029 6.9444 38.4894 761815.9964 -4.9310 -4.9365 PRESSURE: 1452800 24.5607 -148.753 -45.1051 -148.752 -116.978 -32.5754 -45.1051 -32.5746 -123.359 GPRESSURE: 1452800 0.316799 -116.112 -77.2125 -172.77 -3.89178 -37.7103 -32.2577 -54.2687 -129.747 PRESSAVG: 1452800 -13.0122 1.23241 -27.8924 1.23243 17.2813 31.9804 -27.8923 31.9803 10.3441 GPRESSAVG: 1452800 -12.3106 1.33528 -29.4686 -1.29631 17.0934 30.5017 -27.9147 32.9732 9.6248 TIMING: 1452800 CPU: 4577.89, 0.00318404/step Wall: 4577.89, 0.00318404/step, 3.13734 hours remaining, 238.207031 MB of memory in use. ENERGY: 1452800 4030.2377 20399.4426 14468.9014 260.2836 -203180.6829 2544.6123 0.0000 0.0000 51959.6296 -109517.5756 298.6127 -161477.2052 -109156.4560 298.4919 -71.9256 -44.4407 761674.3714 4.8711 4.8025 PRESSURE: 1453000 467.704 110.755 -103.67 110.755 195.166 -95.6654 -103.671 -95.6655 351.542 GPRESSURE: 1453000 516.39 103.439 -89.6869 137.124 244.976 -147.946 133.024 -10.2959 322.617 PRESSAVG: 1453000 -19.9913 -8.82927 11.5804 -8.82925 30.0752 10.3642 11.5804 10.3641 -17.7693 GPRESSAVG: 1453000 -20.5356 -10.1338 12.1249 -8.59262 30.3381 10.1473 14.9691 9.59772 -17.9161 TIMING: 1453000 CPU: 4578.52, 0.00317895/step Wall: 4578.52, 0.00317895/step, 3.13215 hours remaining, 238.207031 MB of memory in use. ENERGY: 1453000 3949.5255 20432.4599 14487.5064 250.6469 -203550.3085 2951.8652 0.0000 0.0000 51926.3943 -109551.9103 298.4217 -161478.3046 -109191.5039 298.5772 338.1374 361.3275 759605.7818 -2.5618 -2.7045 PRESSURE: 1453200 -214.246 49.779 258.072 49.7779 75.2442 -198.956 258.072 -198.957 -165.812 GPRESSURE: 1453200 -190.557 43.3445 213.763 -13.7488 106.123 -201.037 129.509 -184.175 -146.458 PRESSAVG: 1453200 37.9296 14.0769 -49.8194 14.0769 -3.16796 -9.75631 -49.8195 -9.7563 3.0554 GPRESSAVG: 1453200 38.4528 13.9673 -48.9882 15.4898 -3.29338 -8.93027 -53.4358 -8.36132 2.84808 TIMING: 1453200 CPU: 4579.15, 0.00315379/step Wall: 4579.15, 0.00315379/step, 3.10718 hours remaining, 238.207031 MB of memory in use. ENERGY: 1453200 3919.6117 20453.0066 14527.8484 241.0943 -203020.8420 2457.7496 0.0000 0.0000 51917.7830 -109503.7483 298.3722 -161421.5313 -109146.7145 299.0514 -101.6048 -76.9642 761756.4076 12.6057 12.6692 PRESSURE: 1453400 -250.61 -191.015 -189.514 -191.015 -10.8825 71.769 -189.514 71.7685 251.934 GPRESSURE: 1453400 -174.93 -192.374 -167.768 -62.4698 51.2156 172.064 -245.769 -45.9685 205.522 PRESSAVG: 1453400 13.5882 11.5014 -20.8453 11.5014 -13.2575 53.8316 -20.8453 53.8316 -17.5073 GPRESSAVG: 1453400 12.5038 15.8977 -21.3597 8.10476 -12.2457 54.6176 -19.6904 53.1186 -17.348 TIMING: 1453400 CPU: 4579.78, 0.00315515/step Wall: 4579.78, 0.00315515/step, 3.10835 hours remaining, 238.207031 MB of memory in use. ENERGY: 1453400 4081.2247 20339.9772 14400.7176 238.6935 -203503.7241 2694.8061 0.0000 0.0000 52126.7706 -109621.5344 299.5733 -161748.3050 -109267.7182 298.9085 -3.1860 27.2692 761209.7180 -5.7255 -5.6966 PRESSURE: 1453600 -186.059 -197.156 52.2829 -197.156 120.713 41.2008 52.2824 41.2002 -112.979 GPRESSURE: 1453600 -102.987 -204.038 13.2125 -251.268 179.28 -26.2783 61.7436 -11.6313 -158.661 PRESSAVG: 1453600 -30.52 -33.5791 20.1949 -33.5791 -36.2493 77.3725 20.195 77.3725 -17.9936 GPRESSAVG: 1453600 -28.6573 -38.4494 22.3555 -31.0807 -36.8044 75.6544 17.955 79.269 -18.3574 TIMING: 1453600 CPU: 4580.41, 0.0031395/step Wall: 4580.41, 0.0031395/step, 3.09275 hours remaining, 238.207031 MB of memory in use. ENERGY: 1453600 4013.5501 20281.8598 14393.9722 230.0547 -203269.9592 2725.4512 0.0000 0.0000 52176.5314 -109448.5400 299.8592 -161625.0713 -109079.4242 299.0889 -59.4417 -27.4560 762115.9252 -28.2543 -27.9397 PRESSURE: 1453800 72.5727 81.4697 -29.8717 81.4703 212.987 6.66919 -29.8716 6.66906 -86.9054 GPRESSURE: 1453800 113.088 218.762 -49.7854 54.4194 323.233 56.126 -130.836 -35.5393 -160.91 PRESSAVG: 1453800 -26.7324 -50.4228 -38.1382 -50.4229 19.0442 12.4855 -38.1383 12.4855 -8.74374 GPRESSAVG: 1453800 -27.2051 -49.122 -39.8958 -49.0395 19.4134 13.9623 -37.5444 8.08194 -8.50627 TIMING: 1453800 CPU: 4581.05, 0.00316902/step Wall: 4581.05, 0.00316902/step, 3.12166 hours remaining, 238.207031 MB of memory in use. ENERGY: 1453800 3957.7959 20390.1071 14409.5023 240.2093 -203232.2290 2612.1159 0.0000 0.0000 52001.2160 -109621.2824 298.8517 -161622.4985 -109249.2298 299.0275 66.2182 91.8037 761351.9524 -5.4773 -5.4326 PRESSURE: 1454000 -119.178 96.309 -26.7012 96.3091 -90.8303 -49.6487 -26.701 -49.6489 -239.644 GPRESSURE: 1454000 20.16 59.6432 -11.1824 183.997 -73.5407 -32.171 44.5876 -30.7912 -331.23 PRESSAVG: 1454000 31.9798 -54.9582 8.07432 -54.9582 -28.0467 -8.7104 8.0744 -8.71042 -32.3124 GPRESSAVG: 1454000 31.5088 -55.2452 8.9961 -57.2179 -28.9308 -8.49095 9.19331 -5.48522 -31.6451 TIMING: 1454000 CPU: 4581.68, 0.00314848/step Wall: 4581.68, 0.00314848/step, 3.10125 hours remaining, 238.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1454000 3979.5041 20313.7690 14429.2081 244.8237 -202895.4330 2355.3203 0.0000 0.0000 52022.0606 -109550.7472 298.9715 -161572.8078 -109197.0571 298.5739 -149.8841 -128.2035 761818.0091 -9.4598 -9.6890 PRESSURE: 1454200 138.357 -28.5705 -24.9311 -28.5703 82.4059 -116.282 -24.9306 -116.281 56.1253 GPRESSURE: 1454200 127.209 -31.0705 26.8052 -11.5278 163.43 -51.1095 -42.7368 -157.987 72.9112 PRESSAVG: 1454200 -39.5915 -29.3906 -4.81649 -29.3906 13.5358 26.5397 -4.81649 26.5397 7.95818 GPRESSAVG: 1454200 -38.9546 -29.1356 -3.91033 -28.4934 13.2296 26.5045 -6.37684 25.0384 7.33213 TIMING: 1454200 CPU: 4582.31, 0.00316359/step Wall: 4582.31, 0.00316359/step, 3.11596 hours remaining, 238.207031 MB of memory in use. ENERGY: 1454200 3990.3343 20465.3099 14466.8378 258.6589 -203330.0760 2623.4000 0.0000 0.0000 52085.3814 -109440.1537 299.3354 -161525.5351 -109086.4613 298.5957 92.2960 121.1836 760439.2495 -6.0325 -6.1310 PRESSURE: 1454400 -319.162 -313.881 125.603 -313.88 -165.681 -11.1054 125.602 -11.1058 -95.8534 GPRESSURE: 1454400 -263.968 -212.443 90.7105 -358.875 -128.504 -57.7974 185.952 -113.626 -122.27 PRESSAVG: 1454400 -12.4355 -7.30592 -40.1622 -7.30589 -3.69117 -36.4827 -40.1622 -36.4827 11.3581 GPRESSAVG: 1454400 -14.0515 -4.63227 -41.9989 -7.98942 -2.57601 -38.2382 -39.0501 -36.4788 11.9689 TIMING: 1454400 CPU: 4582.94, 0.00317728/step Wall: 4582.94, 0.00317728/step, 3.12927 hours remaining, 238.207031 MB of memory in use. ENERGY: 1454400 4046.2082 20402.0862 14513.1141 246.9440 -203137.2297 2390.7701 0.0000 0.0000 52125.0640 -109413.0430 299.5635 -161538.1071 -109062.9659 299.1107 -193.5656 -171.5804 763546.0152 -1.5895 -1.5529 PRESSURE: 1454600 4.88919 94.2608 93.5581 94.2612 -138.004 -40.7607 93.558 -40.761 86.6167 GPRESSURE: 1454600 85.7032 78.8877 82.7472 -19.1804 -127.266 -7.46253 92.4048 -17.2071 87.2517 PRESSAVG: 1454600 -16.4308 -44.0566 -18.4006 -44.0566 -13.3252 -8.85916 -18.4006 -8.85914 -23.2194 GPRESSAVG: 1454600 -15.6549 -48.054 -17.8774 -42.7639 -13.3493 -6.46568 -18.6785 -7.24142 -23.0226 TIMING: 1454600 CPU: 4583.58, 0.00316709/step Wall: 4583.58, 0.00316709/step, 3.11906 hours remaining, 238.207031 MB of memory in use. ENERGY: 1454600 4013.0269 20357.6563 14379.5166 245.7273 -203407.1415 2817.6419 0.0000 0.0000 51979.4218 -109614.1507 298.7265 -161593.5725 -109267.8681 298.8647 -15.4994 15.2297 762448.0019 -17.6585 -17.3423 PRESSURE: 1454800 175.144 25.3436 -182.043 25.3437 224.649 -54.0203 -182.043 -54.0211 -391.709 GPRESSURE: 1454800 193.516 40.3128 -153.807 48.8247 186.977 19.9985 -87.0092 -157.211 -301.851 PRESSAVG: 1454800 -0.171882 -36.5709 -34.3687 -36.5709 54.0905 1.81788 -34.3686 1.81786 22.4587 GPRESSAVG: 1454800 -0.412271 -33.6229 -34.4941 -37.6567 54.2303 -1.72811 -32.9391 0.761387 22.2241 TIMING: 1454800 CPU: 4584.21, 0.00314933/step Wall: 4584.21, 0.00314933/step, 3.10139 hours remaining, 238.207031 MB of memory in use. ENERGY: 1454800 3910.7639 20430.7944 14421.8212 254.0647 -203161.0744 2583.4423 0.0000 0.0000 51935.2182 -109624.9698 298.4724 -161560.1879 -109276.9720 298.6035 2.6948 26.2143 761483.8419 25.4591 25.3474 PRESSURE: 1455000 -191.225 101.392 -84.7405 101.391 -117.283 -9.38849 -84.7408 -9.38823 -113.935 GPRESSURE: 1455000 -177.321 -114.625 -45.8541 135.556 -165.529 56.3435 -116.447 -32.6222 -6.77652 PRESSAVG: 1455000 1.24508 -46.4534 -45.5954 -46.4533 -0.707652 15.2767 -45.5954 15.2766 11.571 GPRESSAVG: 1455000 2.15896 -48.5329 -48.1791 -46.8922 -1.60006 17.5026 -45.2483 16.3396 11.5132 TIMING: 1455000 CPU: 4584.84, 0.00315122/step Wall: 4584.84, 0.00315122/step, 3.10308 hours remaining, 238.207031 MB of memory in use. ENERGY: 1455000 4041.0809 20585.8003 14451.6684 256.1162 -203400.7567 2512.7880 0.0000 0.0000 52153.3690 -109399.9340 299.7261 -161553.3030 -109039.0168 299.1872 -140.8145 -116.5422 762542.3003 4.0362 4.0241 PRESSURE: 1455200 -211.667 22.2944 12.6824 22.2943 -189.289 10.3556 12.6824 10.3547 -20.7421 GPRESSURE: 1455200 -76.3813 -56.9697 65.3662 88.5694 -170.447 39.839 9.10557 -72.468 -86.6352 PRESSAVG: 1455200 31.6795 -0.664163 -2.24265 -0.664144 -30.6641 7.00669 -2.24266 7.00672 5.89859 GPRESSAVG: 1455200 30.8847 0.183843 -0.81529 -1.40484 -29.8472 5.6589 -4.58586 4.59285 6.23774 TIMING: 1455200 CPU: 4585.47, 0.0031417/step Wall: 4585.47, 0.0031417/step, 3.09352 hours remaining, 238.207031 MB of memory in use. ENERGY: 1455200 4011.2513 20469.4144 14451.0714 251.4197 -203070.4096 2452.6557 0.0000 0.0000 52020.3311 -109414.2659 298.9616 -161434.5970 -109057.8221 299.2288 -140.5659 -111.1546 763588.9494 2.3047 2.4251 PRESSURE: 1455400 -19.3589 -143.244 -60.2367 -143.244 -8.53754 53.7856 -60.237 53.7853 80.2526 GPRESSURE: 1455400 -54.8984 -208.539 -73.9475 -116.704 73.1013 39.0535 -24.4774 -42.4372 125.542 PRESSAVG: 1455400 -23.7385 -0.550197 32.9197 -0.550194 -8.03314 26.7145 32.9197 26.7146 7.7338 GPRESSAVG: 1455400 -23.1397 -0.778013 33.4232 0.875833 -7.65075 27.1351 32.8684 27.8545 6.69629 TIMING: 1455400 CPU: 4586.1, 0.00317791/step Wall: 4586.1, 0.00317791/step, 3.129 hours remaining, 238.207031 MB of memory in use. ENERGY: 1455400 3997.6834 20430.0070 14477.9191 264.6024 -203432.7688 2770.1670 0.0000 0.0000 52104.5274 -109387.8625 299.4454 -161492.3899 -109023.6288 299.3995 17.4521 47.9150 763297.5506 -8.0126 -8.0314 PRESSURE: 1455600 225.556 87.8501 -22.373 87.8499 -47.8756 40.6359 -22.3729 40.6351 53.34 GPRESSURE: 1455600 188.355 126.207 -29.8692 -87.4295 74.6978 -17.9886 -43.4329 20.9807 42.0515 PRESSAVG: 1455600 -12.4173 47.3541 33.4258 47.3541 7.70164 -28.8751 33.4259 -28.8751 8.43497 GPRESSAVG: 1455600 -12.7034 48.4138 32.0404 44.437 8.19625 -27.3888 35.5508 -29.2181 8.646 TIMING: 1455600 CPU: 4586.73, 0.00315249/step Wall: 4586.73, 0.00315249/step, 3.1038 hours remaining, 238.207031 MB of memory in use. ENERGY: 1455600 4051.7489 20487.2019 14473.9601 236.4607 -203144.4852 2628.3920 0.0000 0.0000 52120.5852 -109146.1365 299.5377 -161266.7216 -108774.5668 300.1583 77.0069 101.7014 761353.4868 1.2398 1.3796 PRESSURE: 1455800 175.48 -78.8366 212.688 -78.8366 -74.3989 -65.4004 212.687 -65.4003 -65.477 GPRESSURE: 1455800 205.641 -66.597 162.863 -89.6253 -39.2252 -31.5887 249.246 -30.1814 -59.9955 PRESSAVG: 1455800 48.9548 31.6845 39.5835 31.6845 -42.1422 -28.3436 39.5835 -28.3436 3.04715 GPRESSAVG: 1455800 48.2141 31.6372 42.0651 32.0097 -42.5797 -28.9386 37.6408 -26.7383 3.95143 TIMING: 1455800 CPU: 4587.36, 0.00316105/step Wall: 4587.36, 0.00316105/step, 3.11205 hours remaining, 238.207031 MB of memory in use. ENERGY: 1455800 4030.6944 20497.3112 14465.3921 259.0823 -203314.9954 2570.4110 0.0000 0.0000 52055.5799 -109436.5245 299.1641 -161492.1044 -109079.4193 299.8514 11.8681 35.4733 761934.0932 3.2866 3.1953 PRESSURE: 1456000 -99.9398 -345.142 -184.858 -345.142 7.82403 -24.1804 -184.857 -24.1794 -76.7256 GPRESSURE: 1456000 -88.0169 -264.739 -216.306 -238.952 103.243 -3.73639 -71.8348 -32.0804 -95.2351 PRESSAVG: 1456000 21.9929 0.0179655 3.128 0.0179906 -13.7403 -45.3705 3.12791 -45.3706 4.80537 GPRESSAVG: 1456000 22.2542 0.764454 1.84488 1.96456 -13.7979 -46.4426 3.36176 -47.3497 4.68449 TIMING: 1456000 CPU: 4587.99, 0.00314035/step Wall: 4587.99, 0.00314035/step, 3.0915 hours remaining, 238.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1456000 3893.8061 20450.4195 14524.2723 255.3542 -203350.5584 2628.3336 0.0000 0.0000 51994.9810 -109603.3918 298.8159 -161598.3728 -109246.9303 299.2185 -56.2805 -26.6697 761391.3231 4.3527 4.3802 PRESSURE: 1456200 -134.613 100.436 349.954 100.436 -73.3404 79.4887 349.954 79.4878 -40.6352 GPRESSURE: 1456200 -130.449 136.144 320.526 141.288 41.6744 23.4989 380.974 -14.5061 -77.397 PRESSAVG: 1456200 -20.247 29.2941 41.858 29.294 2.65018 14.8094 41.8581 14.8094 -39.7335 GPRESSAVG: 1456200 -20.0928 30.4157 41.1829 27.9692 2.18203 14.2 43.4057 16.6947 -40.0399 TIMING: 1456200 CPU: 4588.62, 0.00314691/step Wall: 4588.62, 0.00314691/step, 3.09778 hours remaining, 238.207031 MB of memory in use. ENERGY: 1456200 4014.2453 20414.9311 14590.2230 248.9126 -203084.6315 2292.3991 0.0000 0.0000 51899.3535 -109624.5668 298.2663 -161523.9204 -109282.1657 298.1925 -82.8630 -55.3905 762277.6340 -19.1101 -19.3169 LDB: ============= START OF LOAD BALANCING ============== 4601.02 LDB: ============== END OF LOAD BALANCING =============== 4601.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4601.02 LDB: ============= START OF LOAD BALANCING ============== 4601.34 LDB: Largest compute 7036 load 0.032103 is 16.4% of average load 0.196051 LDB: Average compute 0.004358 is 2.2% of average load 0.196051 LDB: TIME 4601.34 LOAD: AVG 0.196051 MAX 0.215857 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 4601.34 LOAD: AVG 0.196051 MAX 0.215857 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 4601.34 LOAD: AVG 0.196051 MAX 0.215857 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 4601.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4601.35 PRESSURE: 1456400 191.889 -184.294 101.727 -184.294 -265.783 -214.63 101.728 -214.627 -237.593 GPRESSURE: 1456400 254.441 -57.4376 -9.80885 -52.7097 -249.966 -130.772 137.696 -278.15 -239.758 PRESSAVG: 1456400 38.7028 -14.4957 7.48883 -14.4956 0.72026 -17.3524 7.48886 -17.3524 3.96892 GPRESSAVG: 1456400 39.9435 -15.9094 8.67867 -11.9136 -0.216361 -15.4961 6.83481 -19.9268 3.05939 TIMING: 1456400 CPU: 4589.27, 0.00322769/step Wall: 4589.27, 0.00322769/step, 3.17712 hours remaining, 237.636719 MB of memory in use. ENERGY: 1456400 4029.4198 20614.1585 14411.3376 212.5459 -203253.7155 2256.0356 0.0000 0.0000 52331.2129 -109399.0050 300.7482 -161730.2179 -109026.9547 298.9649 -103.8290 -78.4277 762367.7840 14.4640 14.2622 PRESSURE: 1456600 318.173 37.8527 -94.1538 37.8521 -15.4659 45.2537 -94.154 45.2536 45.1386 GPRESSURE: 1456600 364.559 -39.351 -83.5885 -46.4082 -3.094 -5.03211 -95.1133 159.509 62.7624 PRESSAVG: 1456600 8.30083 -37.2286 47.0158 -37.2287 -9.50244 15.6472 47.0157 15.6472 -6.99015 GPRESSAVG: 1456600 8.72249 -39.1377 46.4341 -38.5639 -9.34968 14.0117 46.3024 17.6106 -6.96485 TIMING: 1456600 CPU: 4589.9, 0.00315458/step Wall: 4589.9, 0.00315458/step, 3.10499 hours remaining, 237.839844 MB of memory in use. ENERGY: 1456600 4038.7051 20462.8923 14493.6711 263.0945 -203547.0530 2965.2607 0.0000 0.0000 51951.6933 -109371.7360 298.5671 -161323.4293 -109017.9491 299.7345 115.9485 141.4090 761767.8360 -2.7306 -2.5307 PRESSURE: 1456800 62.1909 20.1236 93.8102 20.1242 -128.239 -139.289 93.8099 -139.288 -191.825 GPRESSURE: 1456800 82.3847 -23.6481 11.5798 -77.4116 -80.3234 -218.868 16.7697 -81.011 -162.817 PRESSAVG: 1456800 17.2716 34.7151 23.5671 34.7151 -19.2955 -16.9396 23.567 -16.9395 -0.773013 GPRESSAVG: 1456800 16.4256 36.5549 20.9131 35.0403 -18.6994 -16.6612 23.4737 -18.8961 -0.436018 TIMING: 1456800 CPU: 4590.52, 0.00313594/step Wall: 4590.52, 0.00313594/step, 3.08646 hours remaining, 237.839844 MB of memory in use. ENERGY: 1456800 3919.7020 20492.4066 14508.7693 247.6424 -203387.1428 2629.9843 0.0000 0.0000 52066.6615 -109521.9767 299.2278 -161588.6382 -109152.9625 298.9719 -85.9579 -53.5852 763427.2631 -0.9323 -0.9033 PRESSURE: 1457000 116.226 -73.9682 -165.451 -73.9687 52.8298 -285.005 -165.451 -285.004 -20.0955 GPRESSURE: 1457000 104.166 -96.6624 -149.773 -41.4296 98.2829 -317.964 -30.9548 -72.1009 28.8682 PRESSAVG: 1457000 14.4992 22.1712 21.1542 22.1712 -52.387 -14.4283 21.1541 -14.4283 14.787 GPRESSAVG: 1457000 14.6644 21.508 23.148 22.0783 -52.0336 -15.9937 21.4527 -9.87532 14.2578 TIMING: 1457000 CPU: 4591.15, 0.00314018/step Wall: 4591.15, 0.00314018/step, 3.09046 hours remaining, 237.839844 MB of memory in use. ENERGY: 1457000 3969.1229 20593.6912 14433.5953 243.2304 -203313.7798 2592.9993 0.0000 0.0000 51945.3792 -109535.7614 298.5308 -161481.1406 -109183.6323 298.8316 49.6535 77.1058 762776.3780 -7.7003 -7.7038 PRESSURE: 1457200 -384.95 -62.4361 -33.1708 -62.4366 -76.5084 -88.2923 -33.1718 -88.2919 -181.247 GPRESSURE: 1457200 -292.891 -56.5482 -22.2446 -145.544 -147.186 -219.085 -123.306 -112.182 -118.067 PRESSAVG: 1457200 -43.2342 5.07362 29.1422 5.07367 33.3024 -10.0066 29.1421 -10.0067 -1.70153 GPRESSAVG: 1457200 -43.3911 3.83918 30.0185 7.10627 32.963 -6.97754 27.3597 -14.4676 -1.09364 TIMING: 1457200 CPU: 4591.78, 0.00314694/step Wall: 4591.78, 0.00314694/step, 3.09694 hours remaining, 237.839844 MB of memory in use. ENERGY: 1457200 3966.3963 20587.8248 14401.7851 256.8296 -203561.2717 2516.4060 0.0000 0.0000 51985.1573 -109846.8725 298.7594 -161832.0298 -109481.9674 298.9211 -214.2350 -186.0480 761309.7874 -3.8778 -3.8406 PRESSURE: 1457400 111.292 -31.3363 68.6957 -31.3367 -14.6394 -69.6897 68.6962 -69.6895 -184.462 GPRESSURE: 1457400 135.278 -5.625 68.5969 -24.9382 40.999 -139.146 40.1503 -102.151 -192.403 PRESSAVG: 1457400 -56.0688 -17.1132 -6.67292 -17.1132 38.6909 5.10075 -6.67293 5.10078 -7.3414 GPRESSAVG: 1457400 -55.8557 -16.1702 -6.58317 -17.6213 38.5344 4.33102 -5.85208 6.32146 -7.51975 TIMING: 1457400 CPU: 4592.41, 0.00314867/step Wall: 4592.41, 0.00314867/step, 3.09847 hours remaining, 237.839844 MB of memory in use. ENERGY: 1457400 3994.0994 20725.9286 14429.1604 244.2871 -203486.3221 2606.7428 0.0000 0.0000 51842.9511 -109643.1528 297.9422 -161486.1039 -109287.1198 298.5195 -29.2699 -5.3753 763997.1405 -8.2398 -8.2804 PRESSURE: 1457600 -268.558 175.309 -41.1104 175.309 -170.358 65.6387 -41.1102 65.6392 -436.076 GPRESSURE: 1457600 -253.788 203.048 -92.7127 190.393 -173.406 60.6996 -43.9974 28.5791 -351.462 PRESSAVG: 1457600 -45.2341 4.04097 33.6428 4.04099 -10.1062 9.01236 33.6427 9.01236 -3.27689 GPRESSAVG: 1457600 -46.9241 4.5477 34.0654 2.30299 -9.57658 9.49611 34.7679 7.11183 -2.13892 TIMING: 1457600 CPU: 4593.04, 0.00314654/step Wall: 4593.04, 0.00314654/step, 3.09619 hours remaining, 237.839844 MB of memory in use. ENERGY: 1457600 3988.9284 20573.1325 14447.4270 266.9998 -203402.1001 2439.2464 0.0000 0.0000 52253.8733 -109432.4927 300.3037 -161686.3660 -109070.9674 299.1095 -291.6640 -259.5519 763475.1229 -19.5391 -19.5465 PRESSURE: 1457800 -144.958 -98.8868 95.678 -98.8873 -136.882 260.837 95.6775 260.836 302.284 GPRESSURE: 1457800 -183.17 -136.495 16.1593 -93.8929 10.9925 291.631 67.2969 144.158 279.668 PRESSAVG: 1457800 -39.8681 12.6683 19.9205 12.6683 20.6764 -15.3461 19.9205 -15.3462 -5.29604 GPRESSAVG: 1457800 -39.5547 13.5522 18.785 11.6137 20.2456 -16.1964 18.967 -13.202 -5.38145 TIMING: 1457800 CPU: 4593.67, 0.00314015/step Wall: 4593.67, 0.00314015/step, 3.08973 hours remaining, 237.839844 MB of memory in use. ENERGY: 1457800 4009.0366 20565.0653 14444.5906 252.0202 -203245.9895 2631.8501 0.0000 0.0000 51905.8618 -109437.5648 298.3037 -161343.4266 -109075.0353 299.2620 6.8146 35.8300 762685.7224 -8.1626 -8.2302 PRESSURE: 1458000 -100.754 29.3201 -47.2921 29.32 74.9019 72.549 -47.2926 72.5501 197.616 GPRESSURE: 1458000 -74.1256 56.034 61.4332 -17.9277 123.762 90.0087 -158.484 -38.0895 209.821 PRESSAVG: 1458000 57.1379 -13.2257 6.73572 -13.2257 -7.742 2.44858 6.73572 2.44859 8.4956 GPRESSAVG: 1458000 57.6843 -13.9562 6.92797 -10.9659 -7.52968 3.48536 6.60514 1.5106 7.65507 TIMING: 1458000 CPU: 4594.3, 0.00313336/step Wall: 4594.3, 0.00313336/step, 3.08288 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1458000 3943.1505 20727.0457 14506.0814 255.5086 -203186.2368 2454.9689 0.0000 0.0000 52176.3774 -109123.1044 299.8584 -161299.4818 -108763.6544 299.7152 57.2545 86.4859 761078.0773 19.2972 19.2699 PRESSURE: 1458200 -264.936 12.5335 56.9587 12.5332 62.2268 -221.403 56.9585 -221.403 198.889 GPRESSURE: 1458200 -130.736 -43.0577 -20.3171 -22.9903 169.294 -157.035 14.5983 -182.237 56.9352 PRESSAVG: 1458200 -2.74988 -49.8768 16.8155 -49.8768 32.4021 -7.59139 16.8156 -7.5914 -0.777892 GPRESSAVG: 1458200 -3.40884 -50.622 17.0179 -50.1554 32.8879 -7.88514 16.9391 -9.58961 -1.06055 TIMING: 1458200 CPU: 4594.92, 0.00313305/step Wall: 4594.92, 0.00313305/step, 3.0824 hours remaining, 237.839844 MB of memory in use. ENERGY: 1458200 3954.7249 20646.3353 14506.6532 252.1379 -203281.9726 2695.7914 0.0000 0.0000 52088.5241 -109137.8058 299.3535 -161226.3299 -108779.1742 300.2656 -1.2736 31.8312 760723.7381 9.6248 9.4728 PRESSURE: 1458400 -121.925 -138.69 47.1728 -138.691 35.2405 121.825 47.1721 121.824 -77.8257 GPRESSURE: 1458400 -128.988 -155.672 -18.1618 -184.736 66.7206 173.589 46.012 67.4518 -34.9192 PRESSAVG: 1458400 46.9899 -8.62703 32.9898 -8.62705 -17.4303 -52.1576 32.9898 -52.1576 -6.09781 GPRESSAVG: 1458400 48.3281 -7.55363 33.9819 -9.43701 -18.2895 -52.6501 32.9003 -49.0087 -6.08548 TIMING: 1458400 CPU: 4595.55, 0.00313786/step Wall: 4595.55, 0.00313786/step, 3.08696 hours remaining, 237.839844 MB of memory in use. ENERGY: 1458400 4092.0352 20601.9310 14520.2317 235.5493 -203381.1863 2569.3940 0.0000 0.0000 52301.4640 -109060.5811 300.5772 -161362.0450 -108700.8746 299.7788 -54.8367 -32.3955 761196.5071 7.8206 7.9844 PRESSURE: 1458600 -57.0158 -160.087 12.8462 -160.087 -492.744 51.5042 12.8469 51.502 -54.5482 GPRESSURE: 1458600 -132.048 -105.54 12.3773 -88.8455 -387.754 39.7248 -21.1087 -45.921 3.2851 PRESSAVG: 1458600 -12.8301 42.7189 39.1927 42.7189 4.48079 -2.80246 39.1928 -2.80255 1.92623 GPRESSAVG: 1458600 -14.3076 44.148 37.4821 42.5566 5.62629 -2.76465 40.9848 -4.66155 2.27683 TIMING: 1458600 CPU: 4596.18, 0.0031367/step Wall: 4596.18, 0.0031367/step, 3.08565 hours remaining, 237.839844 MB of memory in use. ENERGY: 1458600 3969.8366 20496.9435 14502.0386 266.1074 -203105.5140 2581.6510 0.0000 0.0000 52326.7249 -108962.2120 300.7224 -161288.9369 -108603.3984 300.1195 -201.4360 -172.1723 762754.3758 -2.1410 -2.1348 PRESSURE: 1458800 255.05 -203.825 -144.698 -203.825 280.879 -98.0764 -144.697 -98.0775 418.571 GPRESSURE: 1458800 288.447 -234.626 -106.014 -220.803 236.849 -171.724 -232.533 -10.2968 502.316 PRESSAVG: 1458800 -53.6174 -3.75393 11.9074 -3.75392 28.5304 -0.814672 11.9074 -0.81471 20.6328 GPRESSAVG: 1458800 -52.3049 -5.65359 12.5928 -3.04074 28.2481 -0.950767 10.3976 -0.906829 20.4282 TIMING: 1458800 CPU: 4596.81, 0.00315028/step Wall: 4596.81, 0.00315028/step, 3.09883 hours remaining, 237.839844 MB of memory in use. ENERGY: 1458800 4017.6269 20454.0088 14401.6754 234.5785 -202991.3454 2734.3221 0.0000 0.0000 52207.1379 -108941.9958 300.0351 -161149.1337 -108586.5688 299.8876 318.1668 342.5374 762378.6511 -1.4847 -1.2096 PRESSURE: 1459000 -153.126 128.247 36.0788 128.247 215.86 139.808 36.0785 139.808 96.9471 GPRESSURE: 1459000 -148.62 -12.2908 -37.0551 93.6745 191.759 109.961 -3.91123 -42.4841 194.817 PRESSAVG: 1459000 -0.476707 -17.8034 24.8967 -17.8034 -36.3332 -3.1696 24.8967 -3.16962 29.3796 GPRESSAVG: 1459000 -2.81995 -16.8388 24.3754 -19.7626 -34.5739 -2.84026 24.9101 -2.9127 29.9764 TIMING: 1459000 CPU: 4597.44, 0.00316113/step Wall: 4597.44, 0.00316113/step, 3.10933 hours remaining, 237.839844 MB of memory in use. ENERGY: 1459000 3974.1979 20544.5061 14503.1473 253.2829 -203245.7115 2751.4248 0.0000 0.0000 52103.9094 -109115.2431 299.4419 -161219.1526 -108762.4012 299.7459 53.2270 79.3187 762546.5109 -2.4768 -2.4725 PRESSURE: 1459200 -80.385 -158.391 185.791 -158.392 159.078 27.7545 185.791 27.7542 28.3171 GPRESSURE: 1459200 -40.6594 -46.2874 179.102 -73.0216 195.748 49.989 220.093 41.8481 71.7045 PRESSAVG: 1459200 -32.5626 59.5855 -6.77054 59.5855 28.3604 -49.7691 -6.77058 -49.7691 -7.67239 GPRESSAVG: 1459200 -29.9531 59.3839 -5.96617 61.1629 26.9262 -49.9431 -7.91089 -49.3986 -7.99663 TIMING: 1459200 CPU: 4598.07, 0.00315644/step Wall: 4598.07, 0.00315644/step, 3.10453 hours remaining, 237.839844 MB of memory in use. ENERGY: 1459200 3911.5273 20384.6369 14462.1178 250.0472 -202797.6539 2736.9307 0.0000 0.0000 51999.4101 -109052.9838 298.8413 -161052.3940 -108683.6609 299.4889 35.6702 75.5977 763589.8999 -3.9582 -3.6745 PRESSURE: 1459400 -224.635 3.28221 17.9497 3.28188 -391.605 175.397 17.9503 175.395 207.166 GPRESSURE: 1459400 -178.425 100.095 -22.8661 -99.7792 -328.886 192.757 223.54 77.1379 209.752 PRESSAVG: 1459400 3.95771 -42.5591 -1.6509 -42.5591 3.82769 -95.37 -1.65089 -95.3699 -0.873469 GPRESSAVG: 1459400 3.67398 -42.1106 -2.16195 -41.1486 2.91987 -94.9072 -0.424521 -93.1083 0.0448197 TIMING: 1459400 CPU: 4598.7, 0.003152/step Wall: 4598.7, 0.003152/step, 3.09999 hours remaining, 237.839844 MB of memory in use. ENERGY: 1459400 3981.7819 20352.2360 14473.3663 245.0113 -202755.0703 2277.6407 0.0000 0.0000 52343.9775 -109081.0566 300.8216 -161425.0341 -108716.1002 299.8070 -136.3579 -99.1864 762237.0703 2.3040 2.2129 PRESSURE: 1459600 188.323 -70.1621 15.4051 -70.1624 430.84 53.0224 15.4059 53.0211 39.7914 GPRESSURE: 1459600 259.256 -111.614 33.2339 -96.0285 387.72 127.452 -45.6809 29.0515 114.47 PRESSAVG: 1459600 44.7551 -35.5772 -47.5963 -35.5772 -3.82312 -44.6582 -47.5962 -44.6582 -10.5917 GPRESSAVG: 1459600 44.6287 -34.6648 -47.5899 -35.7309 -3.44851 -45.9705 -46.3341 -47.3776 -10.8328 TIMING: 1459600 CPU: 4599.33, 0.00315825/step Wall: 4599.33, 0.00315825/step, 3.10596 hours remaining, 237.839844 MB of memory in use. ENERGY: 1459600 3967.1796 20419.6446 14505.9128 241.1521 -203423.7547 2745.5343 0.0000 0.0000 52323.8215 -109220.5098 300.7057 -161544.3313 -108854.2893 300.4867 219.6514 253.8152 760921.0809 10.1134 10.1158 PRESSURE: 1459800 15.5418 29.7151 0.585948 29.7147 -228.61 -76.4968 0.586703 -76.4968 -39.3743 GPRESSURE: 1459800 32.0918 -40.8426 50.7588 83.7418 -144.329 -131.871 -92.5517 -97.2938 -61.0509 PRESSAVG: 1459800 2.20735 -34.7181 1.44835 -34.7181 16.7759 -14.7696 1.44835 -14.7696 -5.00338 GPRESSAVG: 1459800 1.56078 -35.5238 2.61502 -35.473 18.1697 -13.3639 -1.57102 -14.2846 -6.09569 TIMING: 1459800 CPU: 4599.96, 0.00315808/step Wall: 4599.96, 0.00315808/step, 3.10562 hours remaining, 237.839844 MB of memory in use. ENERGY: 1459800 3967.2080 20446.4710 14484.6261 236.6291 -202838.9214 2260.5035 0.0000 0.0000 52113.8899 -109329.5938 299.4992 -161443.4837 -108963.5265 299.5237 -84.1475 -57.7628 761770.6323 4.6600 4.5449 PRESSURE: 1460000 210.83 10.9264 108.546 10.9269 -20.9279 335.874 108.547 335.874 -78.3194 GPRESSURE: 1460000 200.23 -50.9571 8.22868 42.4116 46.1594 240.773 83.3479 355.464 -52.5735 PRESSAVG: 1460000 9.14584 11.7393 44.0883 11.7393 0.330304 -46.4265 44.0883 -46.4265 -2.66788 GPRESSAVG: 1460000 10.4954 14.9149 43.124 10.6496 -0.00534579 -45.4255 43.8282 -46.1277 -3.27669 TIMING: 1460000 CPU: 4600.59, 0.00314854/step Wall: 4600.59, 0.00314854/step, 3.09607 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1460000 4021.5821 20429.8973 14528.1483 228.9143 -203184.0367 2576.1418 0.0000 0.0000 51983.4341 -109415.9189 298.7495 -161399.3530 -109053.5503 299.1646 37.1943 64.6051 762413.8199 2.2694 2.4044 PRESSURE: 1460200 -118.152 11.5774 -6.85021 11.5778 70.7765 -295.594 -6.85035 -295.593 110.463 GPRESSURE: 1460200 -34.4069 194.887 82.2953 -157.036 -9.88597 -343.494 -40.8929 -335.656 175.531 PRESSAVG: 1460200 -8.17698 -20.5601 -47.1923 -20.5601 -0.0554848 1.26937 -47.1922 1.26934 -5.37121 GPRESSAVG: 1460200 -8.86786 -21.0947 -46.9665 -23.2694 -1.10368 0.876333 -45.0924 -0.569836 -3.5613 TIMING: 1460200 CPU: 4601.22, 0.0031363/step Wall: 4601.22, 0.0031363/step, 3.08385 hours remaining, 237.839844 MB of memory in use. ENERGY: 1460200 4037.7536 20450.3259 14474.3479 244.7962 -202999.1779 2479.5770 0.0000 0.0000 51906.2591 -109406.1182 298.3060 -161312.3773 -109050.5585 298.6443 21.0294 43.7459 764907.3259 -4.5346 -4.5109 LDB: ============= START OF LOAD BALANCING ============== 4613.62 LDB: ============== END OF LOAD BALANCING =============== 4613.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4613.62 LDB: ============= START OF LOAD BALANCING ============== 4613.94 LDB: Largest compute 7031 load 0.031916 is 16.3% of average load 0.196016 LDB: Average compute 0.004384 is 2.2% of average load 0.196016 LDB: TIME 4613.94 LOAD: AVG 0.196016 MAX 0.215233 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.406 MB LDB: TIME 4613.94 LOAD: AVG 0.196016 MAX 0.215233 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: TIME 4613.94 LOAD: AVG 0.196016 MAX 0.215233 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: ============== END OF LOAD BALANCING =============== 4613.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4613.95 PRESSURE: 1460400 -36.8543 -108.445 99.3204 -108.445 324.741 181.447 99.32 181.449 57.3759 GPRESSURE: 1460400 -37.8395 -273.276 126.79 -125.13 404.856 159.431 153.612 85.5505 66.3778 PRESSAVG: 1460400 5.70945 -49.5996 -8.31548 -49.5996 0.944677 -15.1296 -8.31542 -15.1295 -5.06796 GPRESSAVG: 1460400 4.19713 -49.3862 -8.72366 -47.7401 2.06345 -15.9734 -9.95479 -12.0029 -4.79759 TIMING: 1460400 CPU: 4601.87, 0.00321945/step Wall: 4601.87, 0.00321945/step, 3.16544 hours remaining, 237.636719 MB of memory in use. ENERGY: 1460400 3958.5018 20592.3026 14500.0968 243.1889 -203039.7534 2544.2479 0.0000 0.0000 51781.3556 -109420.0598 297.5882 -161201.4153 -109069.8061 298.7555 115.0876 144.4649 762860.4325 0.5287 0.4877 PRESSURE: 1460600 12.637 4.70719 -155.231 4.70726 -224.541 82.5299 -155.23 82.5304 23.8243 GPRESSURE: 1460600 57.8303 11.018 -153.039 32.6688 -185.958 110.021 -230.369 170.931 48.3829 PRESSAVG: 1460600 -41.9175 -5.56614 -38.648 -5.56616 20.3021 56.988 -38.6479 56.988 -4.62345 GPRESSAVG: 1460600 -41.3317 -5.41883 -38.5267 -4.31212 19.5368 57.7152 -39.6145 55.5953 -4.81355 TIMING: 1460600 CPU: 4602.5, 0.0031472/step Wall: 4602.5, 0.0031472/step, 3.09422 hours remaining, 237.839844 MB of memory in use. ENERGY: 1460600 4007.4700 20617.2724 14520.2201 242.1317 -202778.7522 2400.1838 0.0000 0.0000 51751.0085 -109240.4657 297.4138 -160991.4742 -108878.4851 299.2394 -62.6931 -26.5815 763755.1647 -8.7463 -8.8695 PRESSURE: 1460800 62.9737 83.8294 91.3114 83.8299 35.5755 137.135 91.3121 137.135 272.094 GPRESSURE: 1460800 86.8537 97.4345 84.1793 59.4172 57.1855 117.399 52.9806 36.76 319.887 PRESSAVG: 1460800 -5.93293 3.99095 -10.2673 3.99097 43.0205 -19.2957 -10.2673 -19.2957 9.43792 GPRESSAVG: 1460800 -4.84839 2.13426 -11.3471 2.9957 42.4553 -20.304 -8.28419 -19.1165 9.06187 TIMING: 1460800 CPU: 4603.12, 0.00313365/step Wall: 4603.12, 0.00313365/step, 3.08073 hours remaining, 237.839844 MB of memory in use. ENERGY: 1460800 3946.1596 20372.4338 14505.2041 244.5845 -203472.0522 2862.6702 0.0000 0.0000 52109.0401 -109431.9599 299.4714 -161540.9999 -109077.6762 298.8252 123.5478 154.6419 761670.0163 15.5085 15.5563 PRESSURE: 1461000 -34.0391 49.1837 56.5536 49.1832 -144.794 -29.885 56.5537 -29.8847 -372.695 GPRESSURE: 1461000 -21.5146 74.7366 7.73137 28.1783 -103.527 -139.717 106.69 -40.846 -344.39 PRESSAVG: 1461000 35.1158 28.0353 -19.3623 28.0352 -3.63892 38.7188 -19.3624 38.7189 -13.8342 GPRESSAVG: 1461000 34.713 27.304 -18.4437 30.1437 -2.45665 36.6237 -21.2075 39.7533 -13.8889 TIMING: 1461000 CPU: 4603.75, 0.0031564/step Wall: 4603.75, 0.0031564/step, 3.10292 hours remaining, 237.839844 MB of memory in use. ENERGY: 1461000 3981.7136 20460.4928 14490.3217 253.4701 -203148.2025 2616.0400 0.0000 0.0000 51925.5297 -109420.6346 298.4167 -161346.1643 -109073.8043 298.7146 -183.8427 -156.4773 762708.3540 5.8809 6.1225 PRESSURE: 1461200 -311.58 160.293 -117.076 160.294 -312.741 -145.331 -117.077 -145.33 -232.171 GPRESSURE: 1461200 -295.796 170.158 -89.8824 119.978 -298.329 -80.7351 -69.9724 -62.6399 -176.591 PRESSAVG: 1461200 19.4291 -21.8856 -95.9231 -21.8856 -26.8206 4.8516 -95.9231 4.8515 1.77477 GPRESSAVG: 1461200 19.8723 -19.5785 -96.2763 -23.4996 -27.1594 5.82773 -93.3559 5.59101 1.04759 TIMING: 1461200 CPU: 4604.38, 0.00315707/step Wall: 4604.38, 0.00315708/step, 3.1034 hours remaining, 237.839844 MB of memory in use. ENERGY: 1461200 4009.1232 20439.2094 14572.5044 263.8563 -203361.7756 2711.7920 0.0000 0.0000 51985.7823 -109379.5081 298.7630 -161365.2904 -109023.1559 298.7103 -285.4974 -256.9053 762852.4483 -1.8723 -2.0799 PRESSURE: 1461400 15.413 -30.038 -93.9466 -30.0379 -296.789 -41.5747 -93.9467 -41.573 -207.754 GPRESSURE: 1461400 -39.5108 -106.802 -126.208 3.63138 -222.737 -60.0347 -46.2565 -46.2681 -149.795 PRESSAVG: 1461400 -26.093 -25.921 -112.978 -25.921 -0.44059 -66.7886 -112.978 -66.7886 11.5599 GPRESSAVG: 1461400 -25.5082 -26.8022 -112.818 -26.3622 -1.31351 -64.7271 -112.469 -68.6901 11.9655 TIMING: 1461400 CPU: 4605.02, 0.00317356/step Wall: 4605.02, 0.00317356/step, 3.11943 hours remaining, 237.839844 MB of memory in use. ENERGY: 1461400 3948.2763 20487.8715 14467.7772 242.4082 -203103.7269 2433.8740 0.0000 0.0000 52046.7219 -109476.7978 299.1132 -161523.5197 -109120.3782 299.0165 -163.0432 -137.3477 763212.7289 -4.9912 -4.9521 PRESSURE: 1461600 58.4874 -161.569 17.7322 -161.57 17.6279 -222.039 17.7324 -222.038 16.6502 GPRESSURE: 1461600 156.827 -133.679 41.2374 -112.153 29.5467 -225.688 -68.3669 -276.993 -2.00908 PRESSAVG: 1461600 -26.1955 -28.9911 -25.4248 -28.9911 -29.1243 25.5879 -25.4247 25.588 -6.0055 GPRESSAVG: 1461600 -26.0867 -29.7793 -24.5954 -27.9619 -28.6552 26.2142 -27.3337 24.6416 -6.15927 TIMING: 1461600 CPU: 4605.65, 0.00315713/step Wall: 4605.65, 0.00315713/step, 3.10311 hours remaining, 237.839844 MB of memory in use. ENERGY: 1461600 3952.6595 20431.5440 14473.6260 244.7509 -202803.8575 2412.7166 0.0000 0.0000 52071.2744 -109217.2861 299.2543 -161288.5605 -108855.8005 299.2761 30.9219 61.4548 764564.8644 -20.4418 -20.3004 PRESSURE: 1461800 -8.05478 -187.769 -83.5032 -187.768 -168.182 35.3958 -83.5028 35.3967 273.719 GPRESSURE: 1461800 -90.8424 -193.27 60.6799 -158.934 -106.485 41.8879 -104.725 -61.8259 379.199 PRESSAVG: 1461800 45.4077 -32.1852 -32.5216 -32.1852 -15.0989 -29.1563 -32.5216 -29.1563 -1.1906 GPRESSAVG: 1461800 45.0742 -29.6513 -31.5646 -35.0633 -14.5443 -29.3921 -32.6026 -29.6488 -1.74199 TIMING: 1461800 CPU: 4606.29, 0.00317269/step Wall: 4606.29, 0.00317269/step, 3.11823 hours remaining, 237.839844 MB of memory in use. ENERGY: 1461800 3913.1436 20531.3078 14521.9333 242.6294 -203318.4776 2883.6813 0.0000 0.0000 51833.9825 -109391.7997 297.8906 -161225.7822 -109037.9124 299.1871 32.4940 60.6238 763832.8253 9.7060 9.5960 PRESSURE: 1462000 -215.842 -136.163 18.7753 -136.163 -31.5909 15.4934 18.7749 15.4942 -52.536 GPRESSURE: 1462000 -260.857 -174.43 -101.357 -176.856 79.0871 0.205038 86.2944 -37.66 -24.1955 PRESSAVG: 1462000 36.2156 -20.711 -15.2856 -20.7111 9.46346 37.6111 -15.2856 37.6111 9.96397 GPRESSAVG: 1462000 36.0696 -22.1003 -16.994 -19.3372 8.74644 38.211 -13.1519 39.3615 10.8909 TIMING: 1462000 CPU: 4606.92, 0.0031593/step Wall: 4606.92, 0.0031593/step, 3.10489 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1462000 4048.1351 20536.7089 14518.1344 239.5927 -203432.4480 2758.9466 0.0000 0.0000 52079.3342 -109251.5960 299.3006 -161330.9303 -108898.3703 299.6199 -99.9897 -68.6551 763883.1187 18.5477 18.5690 PRESSURE: 1462200 -121.346 -57.5884 -145.135 -57.5885 -293.435 102.672 -145.135 102.672 79.7456 GPRESSURE: 1462200 -52.8522 -32.169 -119.078 -5.4473 -244.08 146.665 -164.028 35.483 56.4309 PRESSAVG: 1462200 2.76804 -13.2433 23.3849 -13.2433 -0.647998 -17.1083 23.385 -17.1083 -1.62042 GPRESSAVG: 1462200 3.28118 -12.1298 22.5867 -14.555 0.246842 -18.9263 22.9551 -15.5449 -2.6127 TIMING: 1462200 CPU: 4607.55, 0.00316175/step Wall: 4607.55, 0.00316175/step, 3.10712 hours remaining, 237.839844 MB of memory in use. ENERGY: 1462200 3965.9414 20635.7766 14477.8493 257.0289 -203339.0697 2618.4067 0.0000 0.0000 52094.6209 -109289.4460 299.3885 -161384.0669 -108927.1180 299.6808 -111.6787 -80.1672 762502.3226 0.1665 0.3051 PRESSURE: 1462400 -85.6592 -271.253 70.3272 -271.253 -304.351 129.848 70.3275 129.848 -3.84992 GPRESSURE: 1462400 -52.7118 -139.904 -46.6853 -264.19 -224.442 145.692 27.8981 -62.6805 -30.976 PRESSAVG: 1462400 1.20329 -56.3447 -48.402 -56.3446 2.22908 -13.579 -48.402 -13.5789 31.6014 GPRESSAVG: 1462400 1.39566 -56.8917 -50.2342 -55.3575 1.60211 -12.6699 -46.9533 -13.517 31.3236 TIMING: 1462400 CPU: 4608.18, 0.00316265/step Wall: 4608.18, 0.00316265/step, 3.10783 hours remaining, 237.839844 MB of memory in use. ENERGY: 1462400 3989.6332 20466.6416 14468.0360 237.1210 -203273.9782 2571.8600 0.0000 0.0000 52178.2872 -109362.3991 299.8693 -161540.6864 -109006.8024 299.3033 -131.2867 -102.7100 762443.6992 11.6779 11.4405 PRESSURE: 1462600 217.848 -210.319 -148.572 -210.318 14.2207 -153.835 -148.572 -153.834 -227.964 GPRESSURE: 1462600 223.094 -255.884 -82.1842 -138.598 -3.04795 -143.836 -236.63 -301.328 -142.491 PRESSAVG: 1462600 26.7387 -44.9012 -48.272 -44.9011 34.5974 -22.9466 -48.272 -22.9467 -23.0859 GPRESSAVG: 1462600 26.9942 -44.3547 -44.8987 -42.5336 34.8249 -23.29 -50.3082 -24.9114 -23.343 TIMING: 1462600 CPU: 4608.81, 0.00316055/step Wall: 4608.81, 0.00316055/step, 3.10559 hours remaining, 237.839844 MB of memory in use. ENERGY: 1462600 3967.5459 20486.9088 14437.5196 277.4370 -203369.8755 2632.4454 0.0000 0.0000 52275.6079 -109292.4109 300.4286 -161568.0188 -108920.7953 299.3529 1.3681 25.8516 761455.9193 12.7501 12.8253 PRESSURE: 1462800 -415.9 -5.53203 -458.51 -5.53106 -237.003 -149.928 -458.51 -149.929 -118.134 GPRESSURE: 1462800 -364.834 8.87706 -438.502 -52.3596 -282.146 -228.028 -330.28 56.4446 -54.5972 PRESSAVG: 1462800 42.9085 -36.7086 9.39659 -36.7086 -39.901 12.6551 9.39661 12.6552 -20.4223 GPRESSAVG: 1462800 42.5533 -37.3342 7.37403 -38.5151 -40.8792 13.0838 9.83181 13.5017 -19.2499 TIMING: 1462800 CPU: 4609.44, 0.00314954/step Wall: 4609.44, 0.00314954/step, 3.0946 hours remaining, 237.839844 MB of memory in use. ENERGY: 1462800 3967.7121 20534.7574 14442.6921 268.9062 -202897.2762 2387.7916 0.0000 0.0000 51995.1340 -109300.2829 298.8167 -161295.4168 -108948.7676 299.6757 -257.0125 -233.8589 763467.8199 -5.8049 -5.8586 PRESSURE: 1463000 -516.648 276.479 -107.723 276.479 -87.9333 -208.578 -107.723 -208.579 -223.043 GPRESSURE: 1463000 -404.548 294.838 -81.31 285.081 -102.206 -170.132 -88.1436 -285.73 -236.476 PRESSAVG: 1463000 12.0151 -39.8782 -46.0181 -39.8781 0.251146 19.6765 -46.018 19.6766 26.2668 GPRESSAVG: 1463000 12.7644 -40.6771 -43.0561 -38.1133 0.438152 19.4594 -45.5542 18.5525 25.1609 TIMING: 1463000 CPU: 4610.07, 0.00315131/step Wall: 4610.07, 0.00315131/step, 3.09616 hours remaining, 237.839844 MB of memory in use. ENERGY: 1463000 4007.9200 20358.3702 14525.3941 236.5522 -203111.0658 2439.7709 0.0000 0.0000 52018.7796 -109524.2787 298.9526 -161543.0583 -109162.0405 299.3067 -275.8748 -247.7432 762199.6451 12.8443 12.7878 PRESSURE: 1463200 141.515 -62.8566 48.4031 -62.8566 -347.789 82.6791 48.4028 82.6792 61.2598 GPRESSURE: 1463200 147.994 -46.4454 54.5222 -69.7368 -316.032 97.2281 -83.3361 -46.8797 103.085 PRESSAVG: 1463200 43.7492 -5.47868 -4.62899 -5.4787 -9.96497 43.7467 -4.62901 43.7467 -16.9616 GPRESSAVG: 1463200 42.7949 -7.29116 -5.71027 -6.77783 -8.61577 42.9579 -5.10161 41.6834 -16.6254 TIMING: 1463200 CPU: 4610.71, 0.00315474/step Wall: 4610.71, 0.00315473/step, 3.09935 hours remaining, 237.839844 MB of memory in use. ENERGY: 1463200 3940.8838 20473.2929 14505.5851 234.2779 -202788.3502 2217.2308 0.0000 0.0000 51957.1753 -109459.9044 298.5986 -161417.0798 -109104.1883 299.2957 -48.3380 -21.6511 762673.7783 5.6076 5.8513 PRESSURE: 1463400 -7.66179 -10.5875 160.612 -10.5868 -30.6369 122.297 160.611 122.297 162.678 GPRESSURE: 1463400 4.61403 106.272 105.927 53.1922 77.3049 58.6054 122.983 -2.85815 143.507 PRESSAVG: 1463400 77.7935 -67.326 -33.9135 -67.326 -48.4694 12.6498 -33.9136 12.6498 12.2201 GPRESSAVG: 1463400 78.8968 -66.836 -35.5491 -66.962 -49.3586 12.6946 -34.8433 14.6612 12.8476 TIMING: 1463400 CPU: 4611.34, 0.00315379/step Wall: 4611.34, 0.00315379/step, 3.09824 hours remaining, 237.839844 MB of memory in use. ENERGY: 1463400 3960.7295 20468.8050 14480.0425 267.1584 -203078.7202 2431.7868 0.0000 0.0000 52063.7953 -109406.4026 299.2113 -161470.1979 -109060.4360 298.8927 41.4598 75.1419 761935.1787 13.8480 14.1286 PRESSURE: 1463600 -231.523 -254.77 33.8633 -254.771 -112.882 57.773 33.8631 57.7728 -19.7228 GPRESSURE: 1463600 -164.875 -194.797 39.1617 -265.81 -50.4918 53.6911 71.1097 104.453 -94.3261 PRESSAVG: 1463600 54.1487 -28.4837 -37.7566 -28.4837 -31.7998 9.08791 -37.7566 9.08785 17.8073 GPRESSAVG: 1463600 53.6573 -25.9461 -36.9765 -27.2859 -30.3712 9.07874 -37.4817 9.07819 17.6151 TIMING: 1463600 CPU: 4611.97, 0.003161/step Wall: 4611.97, 0.00316099/step, 3.10515 hours remaining, 237.839844 MB of memory in use. ENERGY: 1463600 3972.0005 20564.7452 14510.4758 243.4953 -203339.6139 2435.5385 0.0000 0.0000 52034.7035 -109578.6550 299.0442 -161613.3585 -109228.4467 298.9945 -121.3757 -103.2309 761137.3477 13.3854 13.6338 PRESSURE: 1463800 -369.511 -172.82 -124.552 -172.821 18.2438 71.7052 -124.552 71.7055 -73.4099 GPRESSURE: 1463800 -283.554 -147.213 -191.063 -191.24 88.5731 132.032 -18.3051 57.9695 -134.462 PRESSAVG: 1463800 17.7123 -3.6503 -28.6091 -3.65035 4.59843 24.9012 -28.6091 24.9011 -5.66779 GPRESSAVG: 1463800 18.3944 -4.56316 -28.1874 -5.54906 3.76189 25.1952 -30.7025 24.8422 -5.21147 TIMING: 1463800 CPU: 4612.6, 0.00314431/step Wall: 4612.6, 0.00314431/step, 3.08859 hours remaining, 237.839844 MB of memory in use. ENERGY: 1463800 4093.0117 20506.1736 14460.1311 259.0626 -203171.5110 2416.1012 0.0000 0.0000 51882.9467 -109554.0841 298.1720 -161437.0309 -109200.2302 298.7496 -141.5592 -109.8143 761940.7857 5.5477 5.6483 PRESSURE: 1464000 -124.498 128.196 72.7676 128.197 -306.539 83.6491 72.7683 83.6482 -208.885 GPRESSURE: 1464000 -53.8482 143.836 58.6215 138.608 -307.947 74.6821 148.559 22.7235 -203.242 PRESSAVG: 1464000 3.15896 -45.3383 1.39741 -45.3383 -11.8886 -11.0197 1.39739 -11.0198 -17.8321 GPRESSAVG: 1464000 3.00285 -45.1007 1.49357 -45.6434 -11.8315 -10.5752 3.97265 -12.2088 -17.6906 TIMING: 1464000 CPU: 4613.22, 0.00313419/step Wall: 4613.22, 0.00313419/step, 3.07847 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1464000 4073.3312 20517.1850 14469.9596 241.2290 -203032.1171 2472.2817 0.0000 0.0000 51719.9850 -109538.1455 297.2355 -161258.1305 -109179.5190 299.2504 -213.3070 -188.3457 761532.5474 -8.8539 -8.8398 PRESSURE: 1464200 38.383 -59.4713 279.092 -59.4703 -39.0321 194.837 279.091 194.838 -345.073 GPRESSURE: 1464200 154.073 -53.9255 285.646 2.68588 -62.0312 267.93 262.37 178.62 -344.697 PRESSAVG: 1464200 82.9311 6.56517 -70.9213 6.5652 -33.5546 6.66561 -70.9214 6.66554 0.358005 GPRESSAVG: 1464200 83.1341 6.41884 -70.6336 8.23902 -32.9589 5.901 -71.3241 5.71764 -0.437318 TIMING: 1464200 CPU: 4613.85, 0.00314402/step Wall: 4613.85, 0.00314402/step, 3.08795 hours remaining, 237.839844 MB of memory in use. ENERGY: 1464200 3990.9770 20452.4849 14463.9651 237.9458 -203230.4242 2509.2604 0.0000 0.0000 51892.8230 -109682.9679 298.2288 -161575.7910 -109338.3098 298.7273 -115.2405 -84.2184 762523.7008 16.5782 16.5793 LDB: ============= START OF LOAD BALANCING ============== 4626.25 LDB: ============== END OF LOAD BALANCING =============== 4626.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4626.25 LDB: ============= START OF LOAD BALANCING ============== 4626.57 LDB: Largest compute 7030 load 0.033099 is 16.9% of average load 0.196054 LDB: Average compute 0.004365 is 2.2% of average load 0.196054 LDB: TIME 4626.57 LOAD: AVG 0.196054 MAX 0.215827 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.688 MB LDB: TIME 4626.57 LOAD: AVG 0.196054 MAX 0.215827 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: TIME 4626.57 LOAD: AVG 0.196054 MAX 0.215827 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: ============== END OF LOAD BALANCING =============== 4626.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4626.58 PRESSURE: 1464400 -116.01 -40.2083 -21.8814 -40.2083 326.07 110.962 -21.8816 110.963 -22.9179 GPRESSURE: 1464400 -25.3727 -50.4941 25.0526 -13.3774 338.267 42.0638 -20.3635 39.4892 -32.3136 PRESSAVG: 1464400 7.50951 -40.2215 -13.3447 -40.2215 -20.1722 15.9999 -13.3448 15.9999 7.49308 GPRESSAVG: 1464400 8.69872 -41.1266 -14.1454 -39.832 -20.4356 16.066 -15.0483 17.016 7.47799 TIMING: 1464400 CPU: 4614.5, 0.00322452/step Wall: 4614.5, 0.00322452/step, 3.16684 hours remaining, 238.976562 MB of memory in use. ENERGY: 1464400 3964.4925 20386.9812 14425.9972 260.8294 -203407.8223 2788.6709 0.0000 0.0000 51893.1599 -109687.6913 298.2307 -161580.8512 -109323.7374 298.5135 62.3808 93.5270 761658.6897 -1.7232 -1.4196 PRESSURE: 1464600 -221.851 -65.2358 -301.73 -65.2351 61.5126 84.102 -301.729 84.1032 464.7 GPRESSURE: 1464600 -177.292 -112.065 -334.728 -77.8132 80.8619 91.6887 -170.329 41.1343 470.262 PRESSAVG: 1464600 -6.53362 -44.0079 -16.5984 -44.0078 40.5391 0.00867853 -16.5984 0.00869656 -15.9575 GPRESSAVG: 1464600 -6.83387 -43.5969 -15.12 -44.5324 41.6084 -0.381394 -16.117 0.378954 -16.4492 TIMING: 1464600 CPU: 4615.13, 0.00316788/step Wall: 4615.13, 0.00316788/step, 3.11103 hours remaining, 238.976562 MB of memory in use. ENERGY: 1464600 3977.9620 20619.4436 14466.0910 227.2033 -203519.6394 2724.5664 0.0000 0.0000 52002.9107 -109501.4624 298.8614 -161504.3730 -109158.0981 298.9700 101.4539 124.6107 762749.9376 6.0160 6.1084 PRESSURE: 1464800 -212.193 -104.704 79.2003 -104.704 512.293 12.936 79.1998 12.9364 350.798 GPRESSURE: 1464800 -93.3642 -87.0089 114.493 -93.2546 421.28 9.09605 22.7833 -49.5254 392.77 PRESSAVG: 1464800 13.0625 -31.5468 -75.6815 -31.5468 4.8536 -48.7642 -75.6815 -48.7643 -1.0085 GPRESSAVG: 1464800 12.4757 -31.8709 -75.7871 -30.3853 5.05863 -48.4562 -76.0113 -48.6524 0.0731907 TIMING: 1464800 CPU: 4615.77, 0.00321096/step Wall: 4615.77, 0.00321096/step, 3.15316 hours remaining, 238.976562 MB of memory in use. ENERGY: 1464800 4018.0719 20476.9572 14512.9106 242.9224 -203259.0079 2687.6245 0.0000 0.0000 51965.4815 -109355.0399 298.6463 -161320.5214 -108993.6294 299.3379 216.9660 240.2283 761662.3239 5.6359 5.8692 PRESSURE: 1465000 -310.562 88.9859 -235.248 88.9852 -259.733 74.2359 -235.248 74.2356 -132.387 GPRESSURE: 1465000 -380.208 38.9655 -229.534 55.8581 -158.798 101.762 -117.654 271.014 -95.4348 PRESSAVG: 1465000 -15.652 -2.89057 -47.9757 -2.89051 43.7324 7.39175 -47.9756 7.39176 5.46451 GPRESSAVG: 1465000 -15.3924 -3.17609 -49.6775 -4.36024 43.1782 7.39404 -47.2437 8.50554 5.65701 TIMING: 1465000 CPU: 4616.4, 0.00315457/step Wall: 4616.4, 0.00315457/step, 3.09762 hours remaining, 238.976562 MB of memory in use. ENERGY: 1465000 4132.8077 20394.2326 14405.4709 254.0220 -203284.6712 2644.1791 0.0000 0.0000 51938.1770 -109515.7818 298.4894 -161453.9589 -109147.4753 299.0033 -234.2274 -211.4801 763015.6158 11.1816 11.1476 PRESSURE: 1465200 -276.678 58.8342 -69.6182 58.8344 -191.052 -116.27 -69.6182 -116.271 64.1026 GPRESSURE: 1465200 -206.222 -111.289 -158.763 16.7908 -150.054 -122.222 -111.895 -101.656 55.6724 PRESSAVG: 1465200 -36.2703 -42.7373 -16.549 -42.7373 -16.134 -20.5368 -16.5489 -20.5368 2.40096 GPRESSAVG: 1465200 -37.1339 -43.8012 -17.1959 -41.1701 -16.1477 -19.0141 -18.0705 -21.7943 3.26948 TIMING: 1465200 CPU: 4617.04, 0.00315504/step Wall: 4617.04, 0.00315504/step, 3.0979 hours remaining, 238.976562 MB of memory in use. ENERGY: 1465200 3921.1020 20440.9649 14434.0153 261.6983 -202980.4761 2410.1292 0.0000 0.0000 51890.4660 -109622.1004 298.2152 -161512.5664 -109261.6304 298.5532 -134.5423 -100.2011 763828.3180 -16.6678 -16.6707 PRESSURE: 1465400 -88.1476 195.035 -217.059 195.035 68.7137 -22.6492 -217.059 -22.6491 303.714 GPRESSURE: 1465400 -73.9669 139.03 -143.567 334.145 86.4622 -35.4806 -156.063 17.5161 364.743 PRESSAVG: 1465400 -38.1338 -63.0015 -63.9382 -63.0015 45.6794 81.6475 -63.9383 81.6475 10.9574 GPRESSAVG: 1465400 -38.5906 -60.543 -62.0006 -65.8822 46.4947 78.4487 -62.977 82.1962 10.3255 TIMING: 1465400 CPU: 4617.67, 0.00315787/step Wall: 4617.67, 0.00315787/step, 3.1005 hours remaining, 238.976562 MB of memory in use. ENERGY: 1465400 4030.2436 20371.7366 14482.2129 280.4041 -203274.8074 2647.6868 0.0000 0.0000 51666.4061 -109796.1173 296.9275 -161462.5235 -109441.4856 298.7152 94.7600 125.7463 763402.8435 6.1677 6.0765 PRESSURE: 1465600 -233.302 -31.8816 264.327 -31.8813 131.332 94.271 264.328 94.2708 79.9201 GPRESSURE: 1465600 -182.534 -96.2334 276.47 -59.2603 115.243 62.9696 157.205 83.7914 135.841 PRESSAVG: 1465600 -3.16556 -21.6183 7.1212 -21.6183 -50.3908 -18.2226 7.12119 -18.2227 -1.52188 GPRESSAVG: 1465600 -1.0789 -24.957 8.52249 -19.6968 -52.196 -17.0544 6.958 -18.519 -1.9975 TIMING: 1465600 CPU: 4618.3, 0.0031407/step Wall: 4618.3, 0.0031407/step, 3.08347 hours remaining, 238.976562 MB of memory in use. ENERGY: 1465600 3922.7727 20272.6610 14468.8879 259.3844 -203439.4713 2792.3932 0.0000 0.0000 51986.1338 -109737.2384 298.7650 -161723.3722 -109369.7861 298.0657 -7.3499 22.8501 761701.2933 -18.3594 -18.4241 PRESSURE: 1465800 -417.249 -106.25 124.916 -106.249 -72.4893 40.5731 124.916 40.5714 29.4954 GPRESSURE: 1465800 -387.061 -43.8749 109.74 -52.3029 15.1144 44.4563 16.3245 138.842 -12.6287 PRESSAVG: 1465800 -42.9047 -20.2198 33.9344 -20.2197 79.7019 13.1627 33.9344 13.1627 21.2903 GPRESSAVG: 1465800 -43.1935 -18.6362 32.0793 -21.0661 81.2223 14.745 32.4056 12.4505 20.472 TIMING: 1465800 CPU: 4618.92, 0.00314772/step Wall: 4618.92, 0.00314772/step, 3.09019 hours remaining, 238.976562 MB of memory in use. ENERGY: 1465800 3951.1752 20420.9478 14553.9846 248.5314 -203261.7062 2358.0194 0.0000 0.0000 52010.5705 -109718.4772 298.9055 -161729.0477 -109346.5689 298.7733 -153.4142 -128.1916 762079.2413 19.3625 19.5003 PRESSURE: 1466000 -258.019 -41.7736 149.123 -41.7732 -307.642 -20.5965 149.123 -20.5978 211.445 GPRESSURE: 1466000 -153.881 -48.9788 210.886 -97.3758 -251.593 -16.8156 20.5715 -91.1028 151.907 PRESSAVG: 1466000 24.3394 -73.0016 16.7553 -73.0016 -17.2384 24.7907 16.7553 24.7908 0.539358 GPRESSAVG: 1466000 23.7789 -74.0445 16.9111 -71.7881 -17.1543 24.1628 18.4587 25.6456 1.29148 TIMING: 1466000 CPU: 4619.55, 0.00313146/step Wall: 4619.55, 0.00313146/step, 3.07405 hours remaining, 238.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 4030.8046 20192.1317 14514.0454 249.8372 -203076.1541 2441.6619 0.0000 0.0000 52076.9254 -109570.7479 299.2868 -161647.6733 -109211.5528 298.3506 -118.0721 -84.5225 760405.5300 2.5468 2.6387 PRESSURE: 1466200 151.944 -217.567 -51.4124 -217.567 153.455 289.495 -51.4123 289.495 -93.3705 GPRESSURE: 1466200 186.038 -138.086 -52.5434 -202.282 123.522 347.973 98.7511 195.837 -6.83188 PRESSAVG: 1466200 -44.4225 -57.2569 -44.3536 -57.2569 34.3567 17.6671 -44.3536 17.6671 -3.51174 GPRESSAVG: 1466200 -44.0685 -54.2482 -44.5236 -58.1088 34.5122 16.7531 -45.8272 16.0621 -3.40261 TIMING: 1466200 CPU: 4620.18, 0.00315169/step Wall: 4620.18, 0.00315169/step, 3.09373 hours remaining, 238.976562 MB of memory in use. ENERGY: 1466200 3981.2687 20516.7900 14429.0567 248.3849 -203170.9015 2468.1647 0.0000 0.0000 52021.1441 -109506.0925 298.9662 -161527.2365 -109140.0200 298.9537 70.6760 100.9092 762313.8127 -4.5258 -4.3197 PRESSURE: 1466400 94.0446 -139.201 -224.488 -139.201 148.971 -63.4078 -224.488 -63.4072 -84.6327 GPRESSURE: 1466400 94.9756 -98.118 -162.735 -115.071 87.4306 -111.536 -303.355 -4.95008 47.4321 PRESSAVG: 1466400 5.20176 -83.9033 26.3688 -83.9033 -2.52138 44.665 26.3689 44.665 13.0605 GPRESSAVG: 1466400 6.13419 -85.3961 28.008 -83.2458 -4.57684 45.8242 27.6485 45.6463 13.8707 TIMING: 1466400 CPU: 4620.81, 0.00315014/step Wall: 4620.81, 0.00315014/step, 3.09204 hours remaining, 238.976562 MB of memory in use. ENERGY: 1466400 4049.9199 20489.3455 14474.3627 239.7388 -203245.1243 2610.6112 0.0000 0.0000 51989.8900 -109391.2561 298.7866 -161381.1461 -109030.0491 299.4647 52.7944 76.6128 761944.1666 5.2470 5.1427 PRESSURE: 1466600 -76.1008 19.4081 102.34 19.4082 -295.101 -147.915 102.34 -147.915 -9.21618 GPRESSURE: 1466600 -57.957 54.8792 52.4058 -13.4586 -160.442 -104.41 -20.5648 -178.994 -64.314 PRESSAVG: 1466600 30.1764 -26.137 -27.2843 -26.1369 -9.04554 44.1453 -27.2843 44.1454 -3.2998 GPRESSAVG: 1466600 30.0247 -26.3526 -28.4752 -25.693 -8.13383 42.0567 -26.2326 43.7461 -3.88917 TIMING: 1466600 CPU: 4621.44, 0.0031461/step Wall: 4621.44, 0.0031461/step, 3.0879 hours remaining, 238.976562 MB of memory in use. ENERGY: 1466600 4028.2509 20543.2780 14443.8794 254.4340 -203491.1446 2595.5476 0.0000 0.0000 52205.5901 -109420.1645 300.0262 -161625.7547 -109055.1436 299.5274 -126.8059 -94.2377 760583.4234 5.9437 6.0006 PRESSURE: 1466800 19.1562 20.4186 186.388 20.4184 500.091 4.51932 186.388 4.51879 -54.8643 GPRESSURE: 1466800 45.9476 8.85247 224.826 -11.6934 550.421 1.44274 115.387 98.4654 -61.2684 PRESSAVG: 1466800 12.9981 -98.9653 -28.5006 -98.9652 -17.5897 -11.0646 -28.5006 -11.0646 0.0485105 GPRESSAVG: 1466800 12.0404 -97.9107 -29.0944 -99.1251 -15.0541 -10.5967 -29.4937 -9.41936 -1.51909 TIMING: 1466800 CPU: 4622.07, 0.00315911/step Wall: 4622.07, 0.00315911/step, 3.10049 hours remaining, 238.976562 MB of memory in use. ENERGY: 1466800 3888.3644 20455.1606 14404.5598 264.9466 -203345.6857 2779.0684 0.0000 0.0000 52032.0878 -109521.4982 299.0291 -161553.5859 -109160.8308 299.4774 154.7942 178.3668 762321.7900 -1.5144 -1.5109 PRESSURE: 1467000 44.8628 -81.5797 -15.4217 -81.5794 -152.853 199.07 -15.4215 199.07 62.686 GPRESSURE: 1467000 49.944 -54.9629 -62.5522 -149.701 -61.523 286.969 -23.322 107.642 65.2253 PRESSAVG: 1467000 6.70644 2.3427 -43.686 2.34271 -13.6272 -7.71619 -43.686 -7.71613 13.1814 GPRESSAVG: 1467000 5.75695 0.49034 -43.9975 0.898746 -14.5691 -7.4427 -43.5512 -9.28148 15.1332 TIMING: 1467000 CPU: 4622.7, 0.00314793/step Wall: 4622.7, 0.00314792/step, 3.08934 hours remaining, 238.976562 MB of memory in use. ENERGY: 1467000 4034.1362 20334.8549 14415.2308 251.9930 -203157.3622 2464.8516 0.0000 0.0000 52116.1988 -109540.0969 299.5125 -161656.2957 -109176.6337 299.0556 -15.1015 17.8821 762138.3701 2.0869 2.1070 PRESSURE: 1467200 -281.374 16.8144 -253.127 16.8132 -344.879 101.477 -253.127 101.478 -53.2692 GPRESSURE: 1467200 -121.407 -121.109 -274.798 149.293 -342.117 110.863 -141.178 50.8787 -143.619 PRESSAVG: 1467200 8.28259 -21.0459 -18.255 -21.0458 -22.5717 32.761 -18.255 32.7609 -1.25787 GPRESSAVG: 1467200 9.8266 -21.9277 -19.4106 -20.8146 -23.1529 32.4656 -18.7873 34.1944 -2.55717 TIMING: 1467200 CPU: 4623.33, 0.00314148/step Wall: 4623.33, 0.00314148/step, 3.08284 hours remaining, 238.976562 MB of memory in use. ENERGY: 1467200 4117.0674 20509.1198 14406.2290 256.1189 -203395.6020 2568.3417 0.0000 0.0000 51912.4378 -109626.2873 298.3415 -161538.7251 -109266.7020 299.3005 -226.5075 -202.3811 760774.9842 -5.1823 -5.2945 PRESSURE: 1467400 -345.279 -71.1615 261.88 -71.1618 -397.717 203.39 261.881 203.39 -89.2351 GPRESSURE: 1467400 -274.688 -82.6969 275.401 -40.8349 -384.717 204.472 161.022 168.572 -77.396 PRESSAVG: 1467400 20.9641 5.49215 61.4921 5.49215 -42.8518 -26.6871 61.4921 -26.6871 0.420835 GPRESSAVG: 1467400 21.2858 5.32741 62.5951 6.46831 -43.0793 -25.0724 60.9701 -29.5819 0.433217 TIMING: 1467400 CPU: 4623.96, 0.0031622/step Wall: 4623.96, 0.0031622/step, 3.10299 hours remaining, 238.976562 MB of memory in use. ENERGY: 1467400 4005.5455 20315.5454 14428.3263 247.5263 -203235.2219 2439.1702 0.0000 0.0000 52232.4543 -109566.6539 300.1806 -161799.1082 -109212.4112 299.2052 -277.4103 -245.6005 762243.9453 -7.1556 -7.1201 PRESSURE: 1467600 -133.52 -85.9464 -288.126 -85.9467 -70.8325 203.384 -288.126 203.382 -123.573 GPRESSURE: 1467600 -71.5685 -15.3255 -278.914 -30.7547 -3.17385 177.137 -216.449 81.9222 -165.83 PRESSAVG: 1467600 20.0202 -4.45507 1.88145 -4.45508 -46.886 43.3719 1.88142 43.3719 -2.05064 GPRESSAVG: 1467600 20.0603 -2.10303 4.22715 -4.90967 -47.6787 43.4898 2.59404 44.5502 -1.51464 TIMING: 1467600 CPU: 4624.59, 0.00315776/step Wall: 4624.59, 0.00315776/step, 3.09847 hours remaining, 238.976562 MB of memory in use. ENERGY: 1467600 3998.2963 20414.0050 14454.6944 239.9857 -203045.6757 2268.2996 0.0000 0.0000 52139.8139 -109530.5809 299.6482 -161670.3947 -109177.3821 298.9723 -109.3084 -80.1908 762538.2122 -9.6388 -9.7110 PRESSURE: 1467800 88.0203 -204.13 88.9755 -204.13 -169.374 -202.01 88.9739 -202.009 24.693 GPRESSURE: 1467800 65.6264 8.25244 66.8249 -119.518 -115.299 -234.284 48.8209 -206.801 100.825 PRESSAVG: 1467800 1.60533 -8.00308 24.9187 -8.00313 -60.1726 2.91764 24.9187 2.9176 -19.5178 GPRESSAVG: 1467800 1.57676 -10.0322 24.5062 -9.12719 -59.2617 1.95784 24.8711 3.6682 -20.2652 TIMING: 1467800 CPU: 4625.23, 0.00315991/step Wall: 4625.23, 0.00315991/step, 3.1004 hours remaining, 238.976562 MB of memory in use. ENERGY: 1467800 3955.0970 20580.8380 14426.7946 259.3171 -203274.9779 2545.2076 0.0000 0.0000 51905.2363 -109602.4871 298.3001 -161507.7234 -109245.4007 298.9982 -18.8868 17.0508 760871.8764 -26.0284 -25.9834 PRESSURE: 1468000 -97.5125 91.2149 25.5408 91.2137 -267.731 -129.151 25.5402 -129.152 -717.407 GPRESSURE: 1468000 -114.389 -23.9266 98.6039 149.948 -237.595 -55.3255 53.6994 -214.753 -637.731 PRESSAVG: 1468000 17.5976 -30.6211 10.6042 -30.6212 -6.44018 -60.636 10.6043 -60.636 -10.6266 GPRESSAVG: 1468000 17.8914 -29.9782 9.62536 -28.6002 -7.50516 -61.5067 11.2804 -59.6179 -10.2001 TIMING: 1468000 CPU: 4625.86, 0.00315703/step Wall: 4625.86, 0.00315703/step, 3.0974 hours remaining, 238.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 4068.4013 20615.4479 14462.1863 262.4175 -203341.8825 2367.7096 0.0000 0.0000 51887.7216 -109677.9983 298.1994 -161565.7198 -109322.0953 298.6286 -360.8835 -329.9050 762712.7684 0.1769 0.0621 PRESSURE: 1468200 190.953 -171.547 -35.8659 -171.547 -115.608 -124.981 -35.866 -124.98 -66.2496 GPRESSURE: 1468200 93.9676 -157.912 59.0123 -278.678 78.3353 -135.899 -123.448 -205.978 -106.779 PRESSAVG: 1468200 -7.01461 3.5605 -0.419619 3.56047 14.1009 0.910452 -0.419598 0.910386 8.17519 GPRESSAVG: 1468200 -8.40146 3.65164 0.147827 2.92263 16.4125 1.82791 -2.29278 1.60012 7.68606 TIMING: 1468200 CPU: 4626.49, 0.00316453/step Wall: 4626.49, 0.00316453/step, 3.10458 hours remaining, 238.976562 MB of memory in use. ENERGY: 1468200 3984.3063 20450.5722 14486.3726 260.7915 -203449.8939 2459.0331 0.0000 0.0000 52058.0984 -109750.7198 299.1786 -161808.8182 -109380.4004 298.7099 3.0318 21.8414 762118.7778 5.0872 5.2324 LDB: ============= START OF LOAD BALANCING ============== 4638.89 LDB: ============== END OF LOAD BALANCING =============== 4638.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4638.89 LDB: ============= START OF LOAD BALANCING ============== 4639.21 LDB: Largest compute 7031 load 0.033496 is 17.1% of average load 0.196002 LDB: Average compute 0.004386 is 2.2% of average load 0.196002 LDB: TIME 4639.21 LOAD: AVG 0.196002 MAX 0.215096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.523 MB LDB: TIME 4639.21 LOAD: AVG 0.196002 MAX 0.215096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.523 MB LDB: TIME 4639.21 LOAD: AVG 0.196002 MAX 0.215096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.523 MB LDB: ============== END OF LOAD BALANCING =============== 4639.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4639.22 PRESSURE: 1468400 -147.342 283.333 -37.0665 283.333 159.866 138.191 -37.0666 138.191 7.11879 GPRESSURE: 1468400 -121.342 213.92 -11.8008 314.62 154.815 161.708 68.4664 218.041 48.8927 PRESSAVG: 1468400 27.3961 21.0413 -27.5262 21.0414 -51.7372 0.451466 -27.5262 0.451485 -15.1614 GPRESSAVG: 1468400 28.3114 21.3992 -28.9854 19.5964 -53.0407 0.213086 -25.469 -1.90382 -13.8332 TIMING: 1468400 CPU: 4627.14, 0.00322796/step Wall: 4627.14, 0.00322796/step, 3.16663 hours remaining, 238.410156 MB of memory in use. ENERGY: 1468400 4028.8228 20640.7306 14423.0539 231.7918 -203599.9447 2409.7902 0.0000 0.0000 52088.2626 -109777.4928 299.3520 -161865.7555 -109423.7945 298.6844 6.5478 27.4553 759826.5216 -13.1675 -12.8541 PRESSURE: 1468600 39.1753 -263.247 -35.0296 -263.247 -22.8824 34.9352 -35.0296 34.9347 -9.56615 GPRESSURE: 1468600 80.6631 -200.892 -22.5387 -283.724 -5.43422 56.424 -105.355 -90.7042 23.1845 PRESSAVG: 1468600 20.8634 16.7177 -39.9195 16.7176 -31.1953 6.33674 -39.9196 6.33666 -10.8014 GPRESSAVG: 1468600 20.4094 17.8183 -40.4448 18.545 -29.6156 6.77459 -40.5251 7.37357 -11.9507 TIMING: 1468600 CPU: 4627.77, 0.00315355/step Wall: 4627.77, 0.00315355/step, 3.09345 hours remaining, 238.554688 MB of memory in use. ENERGY: 1468600 3957.1391 20593.9013 14475.4008 234.0456 -203481.8873 2481.0311 0.0000 0.0000 52130.7971 -109609.5723 299.5964 -161740.3693 -109253.0982 299.3635 2.2423 32.8044 760858.1557 -7.0444 -7.0523 PRESSURE: 1468800 254.536 -78.9988 -419.417 -78.9989 56.183 -121.425 -419.418 -121.424 282.01 GPRESSURE: 1468800 222.741 -169.705 -353.494 -70.761 115.143 11.7264 -185.6 -36.6036 332.059 PRESSAVG: 1468800 40.898 12.4442 10.4995 12.4442 -6.63641 12.9363 10.4995 12.9362 29.0323 GPRESSAVG: 1468800 41.0653 11.309 10.0587 12.7277 -8.0581 14.0089 11.1049 13.0427 30.345 TIMING: 1468800 CPU: 4628.4, 0.003144/step Wall: 4628.4, 0.003144/step, 3.08391 hours remaining, 238.554688 MB of memory in use. ENERGY: 1468800 3963.9863 20633.6905 14446.3894 244.9730 -203627.2338 2717.3916 0.0000 0.0000 52066.4535 -109554.3494 299.2266 -161620.8029 -109193.2247 299.6024 197.5763 223.3144 759911.6674 21.0980 21.1174 PRESSURE: 1469000 25.1954 57.9028 62.4013 57.902 -225.741 33.8558 62.4015 33.8557 -192.161 GPRESSURE: 1469000 30.0979 67.3684 61.3042 45.9045 -202.555 39.3136 71.4063 -59.836 -114.412 PRESSAVG: 1469000 -2.33782 -16.749 -22.6588 -16.7491 22.1604 -53.0013 -22.6588 -53.0013 -3.33301 GPRESSAVG: 1469000 -3.52719 -16.8746 -21.1577 -17.399 22.8176 -53.9331 -23.6184 -53.6324 -3.4745 TIMING: 1469000 CPU: 4629.02, 0.00314713/step Wall: 4629.02, 0.00314713/step, 3.08681 hours remaining, 238.554688 MB of memory in use. ENERGY: 1469000 4031.6532 20526.1795 14467.2774 246.4709 -203610.8741 2368.6371 0.0000 0.0000 52384.9869 -109585.6690 301.0572 -161970.6559 -109214.0912 299.7198 -130.9023 -95.6231 760640.5970 5.4965 5.2720 PRESSURE: 1469200 51.3835 74.9958 -29.6129 74.9955 332.189 -132.445 -29.6132 -132.446 281.782 GPRESSURE: 1469200 161.143 203.279 -108.647 45.5857 302.739 -144.685 34.228 -139.127 283.845 PRESSAVG: 1469200 -3.72768 1.44496 17.0735 1.44498 -19.5228 -15.6886 17.0735 -15.6885 4.98607 GPRESSAVG: 1469200 -3.29676 1.23405 17.465 0.359299 -19.1682 -16.5997 16.7317 -15.1488 3.75033 TIMING: 1469200 CPU: 4629.65, 0.00314779/step Wall: 4629.65, 0.00314779/step, 3.08728 hours remaining, 238.554688 MB of memory in use. ENERGY: 1469200 3986.1224 20696.6530 14455.7928 230.4101 -203748.5901 2368.0098 0.0000 0.0000 52578.5777 -109433.0244 302.1698 -162011.6021 -109060.3640 299.9161 221.7849 249.2424 760941.3298 -6.0881 -6.2382 PRESSURE: 1469400 399.035 -95.9004 55.885 -95.9008 292.321 142.848 55.8849 142.847 -168.892 GPRESSURE: 1469400 437.129 -115.746 74.355 53.3451 274.506 246.153 29.7406 216.021 -121.42 PRESSAVG: 1469400 -6.73169 -2.06351 11.9455 -2.06355 -17.8131 32.9926 11.9456 32.9926 -18.4836 GPRESSAVG: 1469400 -7.56847 -0.535994 10.6132 -1.96923 -19.1603 34.257 13.6872 31.8073 -16.7595 TIMING: 1469400 CPU: 4630.28, 0.00314259/step Wall: 4630.28, 0.00314259/step, 3.08201 hours remaining, 238.554688 MB of memory in use. ENERGY: 1469400 4046.7325 20602.9771 14511.8742 242.9526 -203844.0374 2712.8010 0.0000 0.0000 52219.3947 -109507.3053 300.1056 -161726.7000 -109160.6689 300.1006 174.1546 196.7382 760169.8765 -14.3428 -14.4961 PRESSURE: 1469600 669.875 -66.5913 224.898 -66.5902 -212.754 42.7046 224.897 42.7042 204.448 GPRESSURE: 1469600 584.729 -66.3454 161.744 -14.5892 -129.216 6.4598 247.466 43.9343 290.735 PRESSAVG: 1469600 -6.2647 -17.5928 42.6163 -17.5928 -52.9163 64.3621 42.6163 64.362 -13.0392 GPRESSAVG: 1469600 -5.1444 -19.9904 43.6979 -17.7172 -51.8196 63.39 41.4358 66.6634 -14.7797 TIMING: 1469600 CPU: 4630.91, 0.00313499/step Wall: 4630.91, 0.003135/step, 3.07439 hours remaining, 238.554688 MB of memory in use. ENERGY: 1469600 3928.4200 20702.2859 14497.4893 242.6156 -203713.9173 2747.0105 0.0000 0.0000 52134.6063 -109461.4898 299.6183 -161596.0961 -109095.7340 299.7800 220.5231 248.7491 759515.5202 -24.0734 -23.9145 PRESSURE: 1469800 49.7065 69.6389 31.5382 69.6393 -173.333 156.235 31.5389 156.236 -329.096 GPRESSURE: 1469800 64.6192 96.677 48.9526 -59.9166 -114.711 209.265 -69.2569 87.0792 -317.536 PRESSAVG: 1469800 20.5783 -41.4354 -60.5212 -41.4355 -17.8866 54.8718 -60.5212 54.8719 6.67838 GPRESSAVG: 1469800 20.6325 -40.8186 -60.9675 -39.1587 -17.77 54.1291 -60.2545 51.9408 6.61265 TIMING: 1469800 CPU: 4631.54, 0.00314514/step Wall: 4631.54, 0.00314514/step, 3.08416 hours remaining, 238.554688 MB of memory in use. ENERGY: 1469800 3971.9127 20556.7568 14482.5141 258.3643 -203169.6498 2369.7155 0.0000 0.0000 52060.2472 -109470.1392 299.1910 -161530.3864 -109100.2128 300.1961 -150.9073 -122.5428 762126.3627 3.1234 3.1584 PRESSURE: 1470000 74.6976 -95.3438 -54.5016 -95.3434 -124.291 93.6943 -54.5018 93.6942 -275.479 GPRESSURE: 1470000 56.3958 -65.0977 -111.531 3.16175 -67.6738 115.323 -80.8005 181.564 -231.186 PRESSAVG: 1470000 19.5987 -79.2033 6.38106 -79.2032 13.0954 11.2536 6.38109 11.2536 -16.0489 GPRESSAVG: 1470000 18.372 -80.4098 5.6291 -81.6617 13.5844 10.9945 6.08154 12.5341 -14.894 TIMING: 1470000 CPU: 4632.17, 0.00316475/step Wall: 4632.17, 0.00316475/step, 3.10321 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1470000 4016.7455 20638.0102 14498.5117 228.5803 -203720.2585 2685.8318 0.0000 0.0000 52030.9690 -109621.6101 299.0227 -161652.5791 -109262.7647 300.0686 -108.3574 -80.8212 762545.3043 5.5484 5.6875 PRESSURE: 1470200 417.333 -86.096 -179.785 -86.095 59.9408 187.983 -179.784 187.982 -281.779 GPRESSURE: 1470200 443.47 -101.628 -229.374 -120.069 8.06479 135.115 -163.587 248.322 -187.371 PRESSAVG: 1470200 -25.4313 -47.6593 6.75062 -47.6594 13.6015 38.8325 6.75062 38.8326 15.5791 GPRESSAVG: 1470200 -23.8537 -45.4844 8.81246 -47.945 12.5785 42.4739 5.04876 38.6706 15.2709 TIMING: 1470200 CPU: 4632.8, 0.00316267/step Wall: 4632.8, 0.00316266/step, 3.10099 hours remaining, 238.554688 MB of memory in use. ENERGY: 1470200 3973.5307 20436.5531 14452.2201 247.5028 -203566.1697 2729.1392 0.0000 0.0000 52021.0804 -109706.1434 298.9659 -161727.2238 -109338.7760 298.7097 65.1650 88.0547 762071.7450 1.2498 1.3319 PRESSURE: 1470400 -374.743 39.1704 -344.995 39.1703 -33.2896 -0.239069 -344.996 -0.239946 248.876 GPRESSURE: 1470400 -250.568 -53.6445 -322.948 -17.7843 -68.4335 -65.5458 -400.771 -34.8279 223.517 PRESSAVG: 1470400 13.6017 -24.2048 6.82812 -24.2047 19.6452 14.5396 6.82806 14.5396 7.55269 GPRESSAVG: 1470400 13.8438 -26.4428 4.79726 -22.7352 19.6142 11.4708 7.84181 13.5418 7.12313 TIMING: 1470400 CPU: 4633.44, 0.00316567/step Wall: 4633.44, 0.00316567/step, 3.10376 hours remaining, 238.554688 MB of memory in use. ENERGY: 1470400 4048.6799 20439.8341 14406.4158 260.4519 -203450.6563 2602.2416 0.0000 0.0000 52194.4819 -109498.5511 299.9624 -161693.0330 -109139.2912 299.0352 -53.0523 -31.8281 762616.4450 13.5999 13.5270 PRESSURE: 1470600 316.679 -158.432 -87.6885 -158.433 -199.744 -160.481 -87.6885 -160.482 409.66 GPRESSURE: 1470600 290.478 -275.423 1.95604 -182.971 -52.1902 -225.47 -88.0017 -106.421 371.003 PRESSAVG: 1470600 -80.0799 -48.9094 1.48645 -48.9095 28.3526 16.7145 1.48641 16.7145 9.91801 GPRESSAVG: 1470600 -80.3662 -49.025 1.28313 -50.4542 28.5797 16.3991 3.91618 17.2469 9.5752 TIMING: 1470600 CPU: 4634.07, 0.00315647/step Wall: 4634.07, 0.00315647/step, 3.09457 hours remaining, 238.554688 MB of memory in use. ENERGY: 1470600 3946.2445 20490.8560 14485.9115 237.8910 -203404.9306 2822.3337 0.0000 0.0000 52141.3142 -109280.3797 299.6568 -161421.6939 -108919.0984 299.0641 175.5316 203.0971 762178.2430 -13.9364 -14.0704 PRESSURE: 1470800 -68.7942 -147.076 122.156 -147.076 -285.462 46.7764 122.156 46.776 226.962 GPRESSURE: 1470800 -29.3062 -54.8351 203.327 -66.014 -174.241 65.9555 71.4141 26.1331 160.71 PRESSAVG: 1470800 12.3354 -55.8436 57.0485 -55.8437 28.918 13.6839 57.0485 13.6838 -26.215 GPRESSAVG: 1470800 12.322 -54.6624 58.464 -53.6459 29.5468 13.6312 56.2434 14.1314 -26.8847 TIMING: 1470800 CPU: 4634.7, 0.00315465/step Wall: 4634.7, 0.00315465/step, 3.09261 hours remaining, 238.554688 MB of memory in use. ENERGY: 1470800 4008.2305 20669.6505 14449.1954 240.9919 -202573.3724 2086.3999 0.0000 0.0000 51905.8783 -109213.0259 298.3038 -161118.9042 -108855.8584 299.2480 -42.4313 -14.2791 762317.3280 5.0128 4.9947 PRESSURE: 1471000 -277.577 36.3833 -35.0919 36.3824 -123.297 200.457 -35.0912 200.456 -186.213 GPRESSURE: 1471000 -288.499 84.7847 -2.62651 16.9388 -77.269 233.117 -94.569 187.8 -125.466 PRESSAVG: 1471000 32.2212 -54.2996 -2.88057 -54.2996 -22.114 -21.6253 -2.88057 -21.6253 3.30169 GPRESSAVG: 1471000 32.6084 -52.4403 -2.95678 -55.5061 -24.282 -20.6937 -5.18375 -20.0324 4.75039 TIMING: 1471000 CPU: 4635.33, 0.00315351/step Wall: 4635.33, 0.00315351/step, 3.09131 hours remaining, 238.554688 MB of memory in use. ENERGY: 1471000 3992.1828 20458.2296 14503.7117 236.2927 -203161.2544 2550.8493 0.0000 0.0000 52244.1202 -109175.8680 300.2477 -161419.9882 -108815.1852 299.7020 -195.6958 -163.7449 762339.1209 4.4696 4.3589 PRESSURE: 1471200 21.506 71.6896 -337.538 71.6883 -335.626 116.559 -337.539 116.558 -23.0267 GPRESSURE: 1471200 69.9807 39.6286 -314.433 57.6998 -256.82 148.298 -229.941 38.4799 -49.4165 PRESSAVG: 1471200 24.3852 -7.31015 -25.568 -7.31018 2.46471 37.7658 -25.568 37.7658 4.92683 GPRESSAVG: 1471200 24.6023 -9.91861 -24.5944 -5.10483 3.37812 39.4465 -26.0907 34.3332 4.68628 TIMING: 1471200 CPU: 4635.96, 0.0031508/step Wall: 4635.96, 0.0031508/step, 3.08849 hours remaining, 238.554688 MB of memory in use. ENERGY: 1471200 4011.1430 20518.6697 14448.7561 240.0583 -203123.1629 2585.1955 0.0000 0.0000 52135.4688 -109183.8714 299.6233 -161319.3402 -108821.0607 299.6865 -112.3823 -78.7521 760690.9615 10.5922 10.8889 PRESSURE: 1471400 -147.854 -99.0046 157.358 -99.0051 175.863 -231.496 157.358 -231.497 48.2152 GPRESSURE: 1471400 -63.6556 -135.531 167.395 -22.8818 125.208 -139.664 191.669 -253.953 83.3731 PRESSAVG: 1471400 -7.44733 -44.4246 23.874 -44.4247 10.6429 31.4315 23.8741 31.4315 21.7853 GPRESSAVG: 1471400 -7.96627 -44.0562 24.0849 -46.4824 11.0608 30.9716 26.5832 32.6625 21.825 TIMING: 1471400 CPU: 4636.59, 0.00313972/step Wall: 4636.59, 0.00313972/step, 3.07745 hours remaining, 238.554688 MB of memory in use. ENERGY: 1471400 3936.8292 20421.7374 14430.6117 238.0894 -202971.6465 2446.6397 0.0000 0.0000 51955.1383 -109542.6008 298.5869 -161497.7390 -109167.6532 299.4505 25.4080 48.3084 761621.9772 8.3269 8.3065 PRESSURE: 1471600 -177.506 13.5045 -72.4046 13.5048 148.499 -95.548 -72.4047 -95.5468 92.0049 GPRESSURE: 1471600 -113.796 59.2796 -54.7066 -65.1217 220.204 -94.2269 -174.97 -236.411 26.2344 PRESSAVG: 1471600 16.5541 36.2983 38.8023 36.2983 49.234 11.6774 38.8023 11.6775 17.4935 GPRESSAVG: 1471600 16.7379 37.6513 38.1603 34.1437 49.7823 10.4097 35.0744 10.4009 16.3117 TIMING: 1471600 CPU: 4637.22, 0.00316005/step Wall: 4637.22, 0.00316005/step, 3.0972 hours remaining, 238.554688 MB of memory in use. ENERGY: 1471600 4063.8676 20577.7584 14413.4948 248.3548 -203024.4425 2304.6846 0.0000 0.0000 51922.9406 -109493.3417 298.4019 -161416.2823 -109132.7933 299.2003 20.9992 44.2142 759137.5859 27.7606 27.6106 PRESSURE: 1471800 -342.727 -201.452 124.619 -201.451 34.5907 44.4413 124.619 44.4411 158.85 GPRESSURE: 1471800 -262.546 -189.894 54.1036 -151.996 15.9787 13.6467 187.084 36.7276 181.79 PRESSAVG: 1471800 1.61457 -6.90494 18.5402 -6.90483 12.0839 41.677 18.5402 41.6769 4.13577 GPRESSAVG: 1471800 1.69913 -7.37549 18.2159 -2.74706 10.8455 40.5423 19.1024 42.6316 5.39472 TIMING: 1471800 CPU: 4637.85, 0.00315208/step Wall: 4637.85, 0.00315208/step, 3.08922 hours remaining, 238.554688 MB of memory in use. ENERGY: 1471800 4016.7010 20514.3968 14322.7119 259.0140 -203073.6145 2352.8563 0.0000 0.0000 52074.0138 -109533.9207 299.2701 -161607.9344 -109171.6151 299.5980 -49.7621 -21.5923 760064.3894 5.9447 5.9798 PRESSURE: 1472000 -113.808 -133.342 148.597 -133.342 -85.63 -56.6961 148.597 -56.6959 94.1858 GPRESSURE: 1472000 -13.941 12.3563 94.7254 -151.566 -22.8877 -68.3313 143.991 11.6765 28.4116 PRESSAVG: 1472000 -3.39866 -59.1863 57.1165 -59.1863 -19.0617 -63.2359 57.1166 -63.2358 -0.432858 GPRESSAVG: 1472000 -4.87146 -61.2948 57.4779 -59.8145 -18.2626 -61.2408 57.7041 -62.8669 -0.0609797 TIMING: 1472000 CPU: 4638.48, 0.00315078/step Wall: 4638.48, 0.00315078/step, 3.08777 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1472000 3997.6034 20443.5919 14406.1206 242.7615 -203505.7012 2776.6650 0.0000 0.0000 51994.3083 -109644.6505 298.8120 -161638.9588 -109274.9471 299.2170 -35.0841 -2.8057 761107.5989 -7.6311 -7.7317 PRESSURE: 1472200 -10.4094 -86.6232 -264.781 -86.6232 311.675 298.259 -264.781 298.258 34.2161 GPRESSURE: 1472200 3.53025 -162.933 -243.522 -106.512 286.44 263.948 -177.655 223.019 139.679 PRESSAVG: 1472200 -6.76024 -36.1488 15.8821 -36.1489 23.4433 11.2477 15.882 11.2478 -17.9854 GPRESSAVG: 1472200 -6.83601 -33.5467 15.3814 -36.2845 22.7185 11.619 16.0234 10.8628 -17.1643 TIMING: 1472200 CPU: 4639.12, 0.00317436/step Wall: 4639.12, 0.00317436/step, 3.1107 hours remaining, 238.554688 MB of memory in use. ENERGY: 1472200 3958.5440 20453.3604 14422.4068 261.3202 -203619.1018 2668.7188 0.0000 0.0000 52155.2617 -109699.4900 299.7370 -161854.7517 -109335.7469 298.9056 111.8271 143.2166 760822.3267 -0.4341 -0.4273 LDB: ============= START OF LOAD BALANCING ============== 4651.52 LDB: ============== END OF LOAD BALANCING =============== 4651.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4651.52 LDB: ============= START OF LOAD BALANCING ============== 4651.84 LDB: Largest compute 7045 load 0.032458 is 16.6% of average load 0.196075 LDB: Average compute 0.004375 is 2.2% of average load 0.196075 LDB: TIME 4651.84 LOAD: AVG 0.196075 MAX 0.216185 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.098 MB LDB: TIME 4651.84 LOAD: AVG 0.196075 MAX 0.216185 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.137 MB LDB: TIME 4651.84 LOAD: AVG 0.196075 MAX 0.216185 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.137 MB LDB: ============== END OF LOAD BALANCING =============== 4651.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4651.85 PRESSURE: 1472400 -383.209 15.9015 18.9477 15.9012 -595.715 -168.891 18.9485 -168.891 -87.3667 GPRESSURE: 1472400 -353.477 1.44277 61.8222 -39.0485 -437.18 -202.498 0.264008 -177.668 -213.319 PRESSAVG: 1472400 -41.9915 -46.1498 26.5944 -46.1498 28.987 -33.2911 26.5943 -33.2911 15.7914 GPRESSAVG: 1472400 -40.7754 -45.2548 27.5137 -46.8983 29.9792 -34.8318 30.5164 -32.501 14.1245 TIMING: 1472400 CPU: 4639.76, 0.00324042/step Wall: 4639.76, 0.00324042/step, 3.17525 hours remaining, 238.609375 MB of memory in use. ENERGY: 1472400 4055.3697 20522.2692 14498.8260 252.8349 -203516.3557 2517.4577 0.0000 0.0000 51995.9998 -109673.5984 298.8217 -161669.5982 -109307.6552 298.9111 -355.4304 -334.6589 761621.8389 0.9290 1.1094 PRESSURE: 1472600 -207.497 23.3173 -152.375 23.3168 -433.344 45.499 -152.376 45.4987 -173.093 GPRESSURE: 1472600 -178.878 -29.5533 -200.369 34.4525 -380.747 79.81 -156.325 -84.1079 -169.384 PRESSAVG: 1472600 55.9287 -86.7024 -42.4121 -86.7024 -57.1064 -28.1285 -42.4121 -28.1284 3.6424 GPRESSAVG: 1472600 54.7752 -88.7069 -42.6968 -87.0173 -56.8169 -27.2812 -46.1924 -28.7993 4.74995 TIMING: 1472600 CPU: 4640.39, 0.00314148/step Wall: 4640.39, 0.00314148/step, 3.07812 hours remaining, 238.609375 MB of memory in use. ENERGY: 1472600 4116.6620 20410.3899 14473.3672 240.9684 -203084.4149 2328.9333 0.0000 0.0000 52074.4228 -109439.6713 299.2724 -161514.0940 -109083.2459 299.0001 -271.3114 -243.0026 761991.6645 0.8216 0.9028 PRESSURE: 1472800 10.2583 -44.632 181.145 -44.6326 357.776 171.176 181.145 171.177 75.3143 GPRESSURE: 1472800 98.1646 -38.9359 225.664 -63.2008 358.394 216.275 143.919 93.7553 73.9523 PRESSAVG: 1472800 -8.68926 -2.49995 -13.853 -2.49992 -14.8935 -0.466034 -13.853 -0.466112 -2.90321 GPRESSAVG: 1472800 -6.65821 -3.02145 -15.2829 -0.690562 -16.7015 0.107814 -11.8839 -0.884397 -3.00928 TIMING: 1472800 CPU: 4641.02, 0.00315392/step Wall: 4641.02, 0.00315392/step, 3.09015 hours remaining, 238.609375 MB of memory in use. ENERGY: 1472800 4007.7858 20392.1110 14479.4339 246.2919 -203524.0872 2728.4614 0.0000 0.0000 52051.9574 -109618.0460 299.1433 -161670.0033 -109257.4018 298.9948 147.7830 176.8369 760587.0547 -8.8287 -8.7897 PRESSURE: 1473000 -40.7659 111.263 39.7617 111.263 66.7408 37.1005 39.7605 37.0995 143.251 GPRESSURE: 1473000 27.5586 106.965 54.4722 141.618 17.7757 100.139 21.8951 -90.7804 217.744 PRESSAVG: 1473000 -9.52317 -40.3749 39.4593 -40.3749 -50.7082 -20.3494 39.4593 -20.3495 4.01449 GPRESSAVG: 1473000 -9.92454 -37.1371 40.938 -41.851 -50.3078 -22.3137 39.0268 -17.8843 4.20162 TIMING: 1473000 CPU: 4641.65, 0.00315721/step Wall: 4641.65, 0.00315721/step, 3.09319 hours remaining, 238.609375 MB of memory in use. ENERGY: 1473000 3934.4050 20477.9209 14469.5181 215.6663 -203319.8713 2461.6617 0.0000 0.0000 52175.9497 -109584.7497 299.8559 -161760.6994 -109224.1588 299.3111 56.4087 87.6929 761345.4301 -18.7390 -18.6769 PRESSURE: 1473200 30.9661 -228.203 108.4 -228.203 -166.008 138.996 108.4 138.995 -304.805 GPRESSURE: 1473200 15.7654 -310.454 52.7404 -96.1343 -92.3163 160.86 137.174 54.2199 -284.435 PRESSAVG: 1473200 26.8728 -42.9941 -26.3081 -42.9941 -33.4982 -73.1623 -26.308 -73.1623 13.2032 GPRESSAVG: 1473200 27.0659 -45.6014 -26.342 -42.3957 -32.6357 -72.6644 -26.1005 -73.8999 12.7284 TIMING: 1473200 CPU: 4642.29, 0.00315658/step Wall: 4642.29, 0.00315658/step, 3.0924 hours remaining, 238.609375 MB of memory in use. ENERGY: 1473200 3971.9732 20525.7265 14509.4456 279.5808 -203334.1787 2529.2024 0.0000 0.0000 51801.8240 -109716.4263 297.7058 -161518.2503 -109353.7040 298.3925 -146.6157 -120.3285 761460.9126 2.1926 2.3862 PRESSURE: 1473400 -308.177 23.5057 -178.688 23.5063 -210.819 29.8725 -178.688 29.8723 -67.8081 GPRESSURE: 1473400 -303.617 -22.905 -259.862 -104.568 -111.537 75.6705 -138.204 -127.705 -80.8145 PRESSAVG: 1473400 -41.1046 -22.0576 -40.9066 -22.0577 -2.22524 -23.4964 -40.9066 -23.4963 3.62512 GPRESSAVG: 1473400 -41.1347 -21.9912 -41.6398 -22.5403 -1.28155 -22.8857 -40.936 -25.5045 3.49704 TIMING: 1473400 CPU: 4642.92, 0.0031606/step Wall: 4642.92, 0.0031606/step, 3.09616 hours remaining, 238.609375 MB of memory in use. ENERGY: 1473400 3988.5709 20392.1514 14479.6079 265.7516 -203090.5970 2379.2988 0.0000 0.0000 51671.0499 -109914.1664 296.9542 -161585.2164 -109562.6224 298.5291 -195.6016 -165.3226 763765.2105 -13.2349 -12.9731 PRESSURE: 1473600 -195.574 2.87234 -257.009 2.87179 284.038 83.2595 -257.009 83.261 -46.3524 GPRESSURE: 1473600 -205.17 44.5472 -294.039 -63.4739 272.744 138.828 -84.5947 37.1383 41.2282 PRESSAVG: 1473600 -27.7686 -72.7991 -8.12547 -72.7991 63.3057 42.6237 -8.12549 42.6237 8.48355 GPRESSAVG: 1473600 -28.2422 -72.0447 -7.92055 -73.8247 62.2194 40.5829 -8.56815 43.8675 10.439 TIMING: 1473600 CPU: 4643.55, 0.00316557/step Wall: 4643.55, 0.00316557/step, 3.10085 hours remaining, 238.609375 MB of memory in use. ENERGY: 1473600 4006.8269 20483.2581 14485.7283 259.5955 -203892.0021 2885.5544 0.0000 0.0000 52121.2811 -109649.7578 299.5417 -161771.0389 -109286.8124 299.1924 14.0372 36.2673 760566.6037 14.6736 14.8054 PRESSURE: 1473800 228.468 171.768 141.98 171.768 176.383 150.938 141.979 150.938 -66.9069 GPRESSURE: 1473800 241.842 123.589 82.6631 146.131 200.653 157.887 173.737 76.2742 -42.9146 PRESSAVG: 1473800 9.49787 0.4755 3.37106 0.475481 20.4797 -31.7799 3.37103 -31.7799 -13.3381 GPRESSAVG: 1473800 10.2225 0.935879 6.42465 0.566742 21.1422 -29.7434 2.2254 -32.0144 -14.6364 TIMING: 1473800 CPU: 4644.18, 0.00315295/step Wall: 4644.18, 0.00315295/step, 3.08832 hours remaining, 238.609375 MB of memory in use. ENERGY: 1473800 4045.3956 20505.9471 14497.3321 256.4222 -203656.1625 2785.2062 0.0000 0.0000 52052.8756 -109512.9837 299.1486 -161565.8593 -109151.6199 299.4432 112.6480 133.1934 760288.8150 5.5465 5.5761 PRESSURE: 1474000 -37.779 19.4262 -226.44 19.4271 243.859 180.237 -226.44 180.237 338.349 GPRESSURE: 1474000 104.566 19.6836 -192.954 -16.4399 190.759 197.833 -101.719 147.35 350.717 PRESSAVG: 1474000 5.78478 -61.0267 -9.7005 -61.0267 24.8056 11.9852 -9.70049 11.9853 2.50421 GPRESSAVG: 1474000 6.1063 -60.8887 -11.8367 -61.3596 24.4925 9.47084 -8.46263 13.9184 2.62854 TIMING: 1474000 CPU: 4644.81, 0.0031563/step Wall: 4644.81, 0.0031563/step, 3.09142 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1474000 3998.1625 20610.8632 14548.3262 228.3658 -203670.3642 2747.5191 0.0000 0.0000 52177.3262 -109359.8012 299.8638 -161537.1275 -109002.8693 300.1779 181.4763 215.3476 758927.1755 11.0315 11.0758 PRESSURE: 1474200 106.817 -24.9496 88.4844 -24.9495 286.207 -117.451 88.4834 -117.452 4.48006 GPRESSURE: 1474200 154.704 75.8676 8.3966 56.8774 184.825 20.2874 -27.0663 -192.798 123.009 PRESSAVG: 1474200 -9.36407 -62.3772 -19.1945 -62.3772 12.6178 14.1742 -19.1945 14.1741 -13.871 GPRESSAVG: 1474200 -9.55262 -63.4001 -19.3006 -59.4313 11.558 15.969 -20.1394 13.2602 -12.472 TIMING: 1474200 CPU: 4645.45, 0.00316366/step Wall: 4645.45, 0.00316366/step, 3.09845 hours remaining, 238.609375 MB of memory in use. ENERGY: 1474200 4000.6292 20490.3418 14522.4240 251.5190 -203691.6962 2623.9700 0.0000 0.0000 52373.0105 -109429.8017 300.9884 -161802.8122 -109061.3544 300.1139 132.5016 154.1794 759758.6677 -3.5391 -3.4889 PRESSURE: 1474400 -36.685 -164.857 254.662 -164.857 164.459 179.358 254.662 179.358 366.017 GPRESSURE: 1474400 -11.7886 -190.733 227.161 -97.0693 207.304 226.24 165.283 75.1352 401.213 PRESSAVG: 1474400 23.1734 -25.1906 -14.5518 -25.1906 1.75119 17.5483 -14.5518 17.5483 -1.40902 GPRESSAVG: 1474400 22.643 -25.3963 -14.795 -27.1821 3.40814 16.0033 -15.0141 16.8878 -2.22721 TIMING: 1474400 CPU: 4646.08, 0.00316748/step Wall: 4646.08, 0.00316748/step, 3.10202 hours remaining, 238.609375 MB of memory in use. ENERGY: 1474400 3975.1645 20601.9567 14450.6258 247.9983 -203549.3133 2641.9680 0.0000 0.0000 52055.3238 -109576.2763 299.1627 -161631.6000 -109210.2802 299.7248 164.5969 198.9096 762443.9394 7.8385 7.9413 PRESSURE: 1474600 -103.416 -85.9082 -189.233 -85.9082 19.4215 80.9214 -189.233 80.9214 43.8669 GPRESSURE: 1474600 -88.9875 -160.982 -133.594 -69.3472 15.4834 98.8689 -155.404 36.5276 101.505 PRESSAVG: 1474600 77.6717 -29.4539 10.0169 -29.4539 -74.7581 -11.3021 10.0168 -11.3021 22.0324 GPRESSAVG: 1474600 78.2914 -28.9062 10.5532 -28.6398 -75.3126 -9.65316 9.45315 -9.86298 21.9902 TIMING: 1474600 CPU: 4646.71, 0.00317447/step Wall: 4646.71, 0.00317447/step, 3.10868 hours remaining, 238.609375 MB of memory in use. ENERGY: 1474600 4042.2911 20570.1639 14383.9456 238.5131 -203174.5301 2455.4125 0.0000 0.0000 51847.3662 -109636.8376 297.9675 -161484.2038 -109277.9954 298.6075 -13.3757 9.3335 762748.4848 8.3153 8.3230 PRESSURE: 1474800 -1.7218 -182.517 -156.171 -182.518 -38.464 -137.097 -156.171 -137.097 326.927 GPRESSURE: 1474800 48.8266 -228.77 -200.124 -134.803 -13.812 -167.617 -62.1722 -150.874 324.102 PRESSAVG: 1474800 5.13716 42.296 -21.0353 42.296 34.2869 24.3036 -21.0353 24.3036 -12.7887 GPRESSAVG: 1474800 4.3379 43.251 -22.2053 40.9853 35.1732 23.8162 -18.6023 22.1019 -12.5137 TIMING: 1474800 CPU: 4647.35, 0.00317037/step Wall: 4647.35, 0.00317037/step, 3.1045 hours remaining, 238.609375 MB of memory in use. ENERGY: 1474800 4011.3022 20662.4856 14438.3482 282.1450 -203644.5404 2747.6005 0.0000 0.0000 51987.2162 -109515.4426 298.7712 -161502.6588 -109153.3391 298.8732 95.5805 119.7056 762985.9136 8.8785 8.9991 PRESSURE: 1475000 -58.1598 9.38791 137.699 9.38585 14.4867 -137.613 137.699 -137.612 138.286 GPRESSURE: 1475000 0.375212 19.6235 108.277 -30.3178 58.7724 -166.498 69.4424 -154.946 107.338 PRESSAVG: 1475000 -4.00317 -16.0946 -26.0773 -16.0946 21.2254 -29.1072 -26.0773 -29.1073 23.4336 GPRESSAVG: 1475000 -3.78314 -16.1031 -25.2001 -15.941 19.888 -30.5918 -26.6646 -27.4799 24.1981 TIMING: 1475000 CPU: 4647.98, 0.00315195/step Wall: 4647.98, 0.00315195/step, 3.08628 hours remaining, 238.609375 MB of memory in use. ENERGY: 1475000 3998.1588 20521.4296 14392.3997 231.1132 -203378.6789 2485.3237 0.0000 0.0000 52230.9510 -109519.3029 300.1720 -161750.2539 -109149.2219 299.2472 31.5377 55.4951 761730.2817 13.5519 13.4343 PRESSURE: 1475200 50.2571 75.6176 198.643 75.6172 -51.674 -73.6999 198.643 -73.6987 -354.232 GPRESSURE: 1475200 111.984 26.6275 169.507 8.67035 -71.7478 -75.4832 271.28 -39.3967 -308.865 PRESSAVG: 1475200 13.1103 3.94116 -11.3875 3.94121 -11.1321 -66.5522 -11.3875 -66.5523 -23.473 GPRESSAVG: 1475200 12.4246 1.59311 -10.6404 5.36371 -10.5653 -64.6025 -12.7842 -66.4573 -24.0276 TIMING: 1475200 CPU: 4648.61, 0.00316705/step Wall: 4648.61, 0.00316705/step, 3.1009 hours remaining, 238.609375 MB of memory in use. ENERGY: 1475200 3980.3986 20462.7880 14409.8005 235.5651 -203476.3663 2595.2836 0.0000 0.0000 52420.8894 -109371.6412 301.2636 -161792.5306 -109006.9077 299.9703 -118.5497 -89.5429 763121.2454 -7.1649 -7.3894 PRESSURE: 1475400 400.109 -355.742 -261.339 -355.743 108.693 123.288 -261.338 123.288 296.101 GPRESSURE: 1475400 465.29 -300.453 -195.089 -301.605 93.1542 127.661 -195.348 233.877 316.046 PRESSAVG: 1475400 -47.7364 -39.4514 -60.4098 -39.4514 28.4096 4.01976 -60.4097 4.01972 6.78188 GPRESSAVG: 1475400 -47.0097 -37.7711 -62.3932 -42.2712 28.2097 3.18864 -57.4574 4.54137 6.26118 TIMING: 1475400 CPU: 4649.24, 0.00314397/step Wall: 4649.24, 0.00314397/step, 3.07812 hours remaining, 238.609375 MB of memory in use. ENERGY: 1475400 3962.9409 20477.3257 14484.0134 244.4034 -203411.3987 2710.8529 0.0000 0.0000 52028.5131 -109503.3494 299.0086 -161531.8625 -109143.2388 299.5990 268.3012 291.4970 762486.3005 -4.1816 -4.1796 PRESSURE: 1475600 -69.3294 48.9663 -100.72 48.9671 -342.991 35.6029 -100.72 35.6026 69.7479 GPRESSURE: 1475600 1.00053 94.0981 -131.459 26.2768 -177.312 29.1862 -117.292 -63.9652 -92.9861 PRESSAVG: 1475600 -8.63041 -31.3656 -4.83055 -31.3657 20.4462 19.5995 -4.83051 19.5996 -0.324812 GPRESSAVG: 1475600 -9.96635 -30.6978 -3.92698 -28.0094 22.2391 19.7782 -6.11601 17.3888 -0.867438 TIMING: 1475600 CPU: 4649.87, 0.00313064/step Wall: 4649.87, 0.00313064/step, 3.0649 hours remaining, 238.609375 MB of memory in use. ENERGY: 1475600 4056.9901 20683.4815 14484.4500 256.6988 -203494.4737 2596.6074 0.0000 0.0000 52149.3620 -109266.8839 299.7031 -161416.2459 -108915.9440 299.4466 -114.1907 -89.7658 761163.2092 3.8303 3.8018 PRESSURE: 1475800 -279.088 154.963 -143.122 154.963 156.068 -187.885 -143.122 -187.885 -46.2138 GPRESSURE: 1475800 -277.084 100.9 -154.328 118.118 159.568 -61.6876 -63.5778 -116.168 18.2096 PRESSAVG: 1475800 -56.8349 -32.7898 -63.6571 -32.7899 65.582 63.0795 -63.6571 63.0795 18.9643 GPRESSAVG: 1475800 -56.3058 -31.6733 -64.5013 -34.9385 63.9362 62.2495 -65.4545 64.8213 19.9164 TIMING: 1475800 CPU: 4650.5, 0.00314736/step Wall: 4650.5, 0.00314736/step, 3.08109 hours remaining, 238.609375 MB of memory in use. ENERGY: 1475800 4010.8311 20573.0844 14470.4318 223.5133 -203323.3878 2672.1348 0.0000 0.0000 52084.8843 -109288.5081 299.3325 -161373.3924 -108911.5874 300.1585 -56.4114 -33.1024 761859.2731 9.2372 9.1823 PRESSURE: 1476000 -447.293 38.724 229.527 38.7233 26.9883 -103.323 229.527 -103.323 -133.794 GPRESSURE: 1476000 -344.206 -21.2567 109.003 77.075 -38.2252 -96.9784 186.302 -86.7519 -84.7404 PRESSAVG: 1476000 -42.6224 -8.16144 -9.16549 -8.16149 31.1419 18.2525 -9.16553 18.2526 -39.4636 GPRESSAVG: 1476000 -42.0155 -10.3559 -8.95769 -7.17853 29.9051 17.1518 -8.91169 17.7013 -38.0774 TIMING: 1476000 CPU: 4651.12, 0.00313952/step Wall: 4651.12, 0.00313951/step, 3.07324 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1476000 4043.2742 20805.1978 14380.6666 233.7436 -203355.3454 2625.1614 0.0000 0.0000 52185.3054 -109081.9963 299.9097 -161267.3018 -108733.6603 300.3998 -184.6994 -155.7238 761275.5628 -16.9814 -16.7292 PRESSURE: 1476200 -288.717 -143.956 275.975 -143.956 229.614 -115.656 275.973 -115.656 -466.054 GPRESSURE: 1476200 -215.957 -194.342 214.248 -182.112 261.667 -130.192 282.138 -157.31 -497.675 PRESSAVG: 1476200 10.8062 -30.4195 38.7406 -30.4195 30.5921 -8.1138 38.7405 -8.11383 18.8738 GPRESSAVG: 1476200 11.1641 -28.4741 39.797 -31.0166 30.9654 -7.32863 39.452 -8.86391 18.5856 TIMING: 1476200 CPU: 4651.76, 0.00315471/step Wall: 4651.76, 0.00315471/step, 3.08793 hours remaining, 238.609375 MB of memory in use. ENERGY: 1476200 4046.9784 20749.3352 14427.6907 251.9569 -203429.3441 2652.4384 0.0000 0.0000 52189.9660 -109110.9785 299.9365 -161300.9445 -108745.8130 300.7696 -175.0525 -150.6548 760709.6483 20.0907 20.2384 LDB: ============= START OF LOAD BALANCING ============== 4664.15 LDB: ============== END OF LOAD BALANCING =============== 4664.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4664.15 LDB: ============= START OF LOAD BALANCING ============== 4664.47 LDB: Largest compute 7045 load 0.031903 is 16.3% of average load 0.196042 LDB: Average compute 0.004384 is 2.2% of average load 0.196042 LDB: TIME 4664.47 LOAD: AVG 0.196042 MAX 0.214344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 4664.47 LOAD: AVG 0.196042 MAX 0.214344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: TIME 4664.47 LOAD: AVG 0.196042 MAX 0.214344 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: ============== END OF LOAD BALANCING =============== 4664.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4664.48 PRESSURE: 1476400 58.5972 -109 -55.7872 -109 100.395 14.4652 -55.7873 14.4653 -204.135 GPRESSURE: 1476400 91.7466 -170.39 -13.463 48.0158 143.799 27.1502 53.292 -17.415 -190.119 PRESSAVG: 1476400 27.9269 -59.9533 -2.37571 -59.9532 -11.3405 6.87492 -2.37565 6.87494 11.4742 GPRESSAVG: 1476400 28.6332 -62.0505 -1.83962 -58.7315 -10.4929 7.1853 -0.795574 5.97633 10.6871 TIMING: 1476400 CPU: 4652.4, 0.00320937/step Wall: 4652.4, 0.00320937/step, 3.14126 hours remaining, 237.328125 MB of memory in use. ENERGY: 1476400 4069.1010 20561.6398 14575.0985 237.2299 -203313.0877 2391.9779 0.0000 0.0000 52064.4008 -109413.6398 299.2148 -161478.0406 -109059.9188 299.9705 -15.0474 15.1422 760307.2190 9.3535 9.6091 PRESSURE: 1476600 39.2814 88.8438 102.128 88.8436 53.6447 -95.7949 102.128 -95.7947 226.01 GPRESSURE: 1476600 146.861 -40.3474 124.675 -7.47293 2.27073 -54.842 112.934 9.39655 233.586 PRESSAVG: 1476600 -32.0095 -17.4022 21.7689 -17.4022 33.0014 -30.0362 21.7689 -30.0362 21.1441 GPRESSAVG: 1476600 -32.0294 -17.8422 22.7901 -18.9134 33.1387 -29.0364 20.7585 -29.1543 20.5653 TIMING: 1476600 CPU: 4653.03, 0.00314461/step Wall: 4653.03, 0.00314461/step, 3.0777 hours remaining, 237.328125 MB of memory in use. ENERGY: 1476600 3988.6794 20540.5885 14508.0575 240.1914 -203454.1683 2562.8568 0.0000 0.0000 51893.3785 -109720.4163 298.2320 -161613.7947 -109361.6196 299.3343 106.3122 127.5728 759733.8506 7.3787 7.2249 PRESSURE: 1476800 226.943 151.33 174.923 151.33 -179.34 -56.9583 174.923 -56.958 389.704 GPRESSURE: 1476800 325.572 39.9883 99.5644 119.869 -240.967 16.4503 132.99 59.4269 428.047 PRESSAVG: 1476800 33.5173 -50.4597 -2.23679 -50.4597 1.93091 10.1762 -2.23676 10.1762 -12.4969 GPRESSAVG: 1476800 32.4722 -50.7683 -6.36397 -49.7041 1.57315 8.83081 -1.74423 11.3821 -10.8686 TIMING: 1476800 CPU: 4653.66, 0.00314578/step Wall: 4653.66, 0.00314578/step, 3.07867 hours remaining, 237.328125 MB of memory in use. ENERGY: 1476800 4017.7851 20495.5448 14439.2295 254.0732 -203542.2060 2695.9921 0.0000 0.0000 52174.2460 -109465.3353 299.8461 -161639.5813 -109105.7042 299.1428 145.7688 170.8841 761558.7908 7.6505 7.7256 PRESSURE: 1477000 -408.571 -130.645 31.8234 -130.646 22.6746 1.68717 31.8231 1.68724 -188.027 GPRESSURE: 1477000 -283.015 -2.83311 138.901 -144.738 -79.7992 62.5918 36.3251 42.957 -152.178 PRESSAVG: 1477000 56.5873 -38.265 -10.4846 -38.2649 -21.8603 -6.94582 -10.4845 -6.9457 3.8191 GPRESSAVG: 1477000 56.4296 -36.4978 -7.26995 -39.2874 -22.0482 -6.04078 -12.584 -5.53042 3.64158 TIMING: 1477000 CPU: 4654.29, 0.0031647/step Wall: 4654.29, 0.0031647/step, 3.09701 hours remaining, 237.328125 MB of memory in use. ENERGY: 1477000 4008.5651 20683.1904 14591.5738 244.0742 -203463.4696 2556.0939 0.0000 0.0000 52052.8726 -109327.0996 299.1486 -161379.9722 -108964.0452 299.6693 -191.3079 -171.6640 762142.8721 12.8487 12.6743 PRESSURE: 1477200 -245.074 -147.977 85.0652 -147.976 -146.036 144.91 85.0647 144.909 -14.2672 GPRESSURE: 1477200 -257.694 -25.0336 105.612 -150.647 -22.2847 76.9278 2.6647 -24.4841 -40.7059 PRESSAVG: 1477200 -18.8565 -34.9351 8.40912 -34.935 13.492 -1.39266 8.40913 -1.39276 9.54154 GPRESSAVG: 1477200 -19.0852 -33.9965 8.43705 -33.7863 14.5609 -3.14132 9.98088 -2.72246 8.90895 TIMING: 1477200 CPU: 4654.92, 0.00315648/step Wall: 4654.92, 0.00315648/step, 3.08879 hours remaining, 237.328125 MB of memory in use. ENERGY: 1477200 3973.8954 20534.5061 14525.3415 235.8997 -203428.8799 2503.2710 0.0000 0.0000 52195.8265 -109460.1398 299.9701 -161655.9663 -109091.9051 299.7866 -135.1256 -106.8948 761488.8182 1.3923 1.4615 PRESSURE: 1477400 -142.705 200.266 50.567 200.266 -43.9532 80.0227 50.5677 80.023 -385.69 GPRESSURE: 1477400 -158.939 158.691 84.0776 112.14 -4.43483 76.1192 24.2927 196.774 -320.666 PRESSAVG: 1477400 -58.9151 -19.1876 5.33969 -19.1876 44.9677 22.9397 5.33976 22.9396 -14.8862 GPRESSAVG: 1477400 -57.6711 -20.7427 5.15985 -19.5851 44.2953 24.4052 3.17593 22.8385 -15.6158 TIMING: 1477400 CPU: 4655.55, 0.0031476/step Wall: 4655.55, 0.0031476/step, 3.07993 hours remaining, 237.328125 MB of memory in use. ENERGY: 1477400 3982.6021 20657.2683 14555.1006 235.4982 -203431.0343 2561.2481 0.0000 0.0000 52097.1995 -109342.1174 299.4033 -161439.3169 -108975.9650 299.7868 -190.7827 -161.3468 761656.3964 -9.6112 -9.6639 PRESSURE: 1477600 -197.589 -121.763 -50.6134 -121.764 -176.383 -102.776 -50.6139 -102.776 -87.2042 GPRESSURE: 1477600 -91.8664 -118.468 -19.7565 -235.356 -195.541 -55.555 -103.496 -130.13 -98.6072 PRESSAVG: 1477600 -25.8837 -62.5767 -11.4488 -62.5767 31.3076 22.0448 -11.4488 22.0447 13.8951 GPRESSAVG: 1477600 -27.6873 -64.3832 -12.0192 -63.2074 32.3006 21.752 -10.0334 21.4221 14.3504 TIMING: 1477600 CPU: 4656.18, 0.00316655/step Wall: 4656.18, 0.00316655/step, 3.0983 hours remaining, 237.328125 MB of memory in use. ENERGY: 1477600 3973.4215 20594.7720 14501.0596 243.7432 -203226.2589 2563.1764 0.0000 0.0000 51966.0017 -109384.0845 298.6493 -161350.0862 -109026.1927 299.8802 -153.7252 -128.6714 762782.0767 6.4397 6.3212 PRESSURE: 1477800 42.4097 -162.725 -2.21277 -162.724 114.25 77.7196 -2.21326 77.7193 -19.6938 GPRESSURE: 1477800 103.046 -123.598 -27.353 -129.33 175.823 -16.9954 -3.04755 96.808 -44.957 PRESSAVG: 1477800 22.6482 -70.3735 31.611 -70.3735 -9.2139 -27.9531 31.6111 -27.9531 16.3437 GPRESSAVG: 1477800 22.8728 -68.8561 30.4715 -70.5356 -9.4676 -28.763 32.3308 -25.6765 15.9596 TIMING: 1477800 CPU: 4656.81, 0.00315316/step Wall: 4656.81, 0.00315316/step, 3.08501 hours remaining, 237.328125 MB of memory in use. ENERGY: 1477800 3959.9938 20568.6190 14433.1049 238.3064 -203125.1209 2427.1837 0.0000 0.0000 52026.1741 -109471.7389 298.9951 -161497.9130 -109102.5381 299.3906 45.6554 77.9708 762379.8304 9.9260 9.7883 PRESSURE: 1478000 112.892 63.7614 132.461 63.7616 99.5431 -12.8179 132.461 -12.8168 -191.689 GPRESSURE: 1478000 134.269 165.301 99.9955 49.8295 189.11 43.0767 120.965 -79.1015 -224.923 PRESSAVG: 1478000 -33.9356 -55.0893 17.5657 -55.0894 -22.9235 15.7566 17.5658 15.7567 -4.33002 GPRESSAVG: 1478000 -33.9336 -55.5706 19.0585 -53.2314 -24.8462 18.2327 17.069 14.3584 -3.31117 TIMING: 1478000 CPU: 4657.45, 0.00318202/step Wall: 4657.45, 0.00318202/step, 3.11308 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1478000 4000.8380 20729.2336 14390.3820 249.5414 -203355.1623 2542.3318 0.0000 0.0000 51994.6600 -109448.1755 298.8140 -161442.8355 -109091.9943 299.6060 6.9151 32.8187 761403.3753 -20.3964 -20.6970 PRESSURE: 1478200 -123.589 -198.512 -81.1453 -198.512 70.8228 -138.969 -81.1458 -138.97 -47.6961 GPRESSURE: 1478200 -32.3318 -176.019 -58.6389 -215.169 89.2713 -166.299 -12.3484 -142.805 -80.2311 PRESSAVG: 1478200 -15.2818 -41.0326 -13.6663 -41.0327 26.6562 15.9333 -13.6663 15.9333 -16.0167 GPRESSAVG: 1478200 -14.8576 -41.2157 -15.4968 -42.0654 28.298 12.8472 -13.1562 15.2304 -18.7569 TIMING: 1478200 CPU: 4658.08, 0.003146/step Wall: 4658.08, 0.003146/step, 3.07766 hours remaining, 237.328125 MB of memory in use. ENERGY: 1478200 3982.3576 20503.5264 14460.5110 258.0195 -203436.0417 2616.8828 0.0000 0.0000 52210.1698 -109404.5746 300.0526 -161614.7444 -109043.1822 299.8705 -33.4875 -7.7639 760323.7426 -1.5474 -1.7722 PRESSURE: 1478400 -266.185 95.2511 -197.824 95.2515 93.8357 -275.519 -197.823 -275.52 -79.5095 GPRESSURE: 1478400 -88.2531 88.0042 -129.424 160.846 45.8184 -233.973 -196.551 -154.687 -129.561 PRESSAVG: 1478400 -58.9722 -60.3392 -5.84783 -60.3392 39.9771 3.01886 -5.84787 3.01885 -10.2496 GPRESSAVG: 1478400 -59.1362 -60.612 -4.74602 -62.0883 39.354 2.2571 -5.7714 7.03498 -9.06517 TIMING: 1478400 CPU: 4658.71, 0.00317028/step Wall: 4658.71, 0.00317028/step, 3.10124 hours remaining, 237.328125 MB of memory in use. ENERGY: 1478400 4057.7365 20466.4037 14503.6206 252.6352 -203230.1955 2650.2929 0.0000 0.0000 51874.5143 -109424.9923 298.1235 -161299.5066 -109067.9097 299.2412 -83.9530 -57.3320 761496.7851 -9.7482 -9.6158 PRESSURE: 1478600 4.10173 94.8391 152.096 94.8398 231.605 -85.9703 152.096 -85.9695 -142.959 GPRESSURE: 1478600 -75.2903 32.0026 195.395 63.9745 342.059 -70.5879 134.441 -41.0407 -89.9968 PRESSAVG: 1478600 16.7204 -81.4127 2.88565 -81.4128 16.4762 -20.3786 2.88566 -20.3786 27.5635 GPRESSAVG: 1478600 16.2803 -82.8011 3.59327 -79.728 17.1577 -18.9183 5.5486 -23.1929 28.2184 TIMING: 1478600 CPU: 4659.34, 0.0031603/step Wall: 4659.34, 0.0031603/step, 3.0913 hours remaining, 237.328125 MB of memory in use. ENERGY: 1478600 3981.0308 20492.9804 14481.1031 240.3608 -203681.1641 2829.9689 0.0000 0.0000 52204.9393 -109450.7807 300.0225 -161655.7200 -109085.1357 299.6236 30.9160 58.9241 761127.2646 20.2534 20.5521 PRESSURE: 1478800 2.90612 -93.6157 44.492 -93.6156 -380.179 -58.0051 44.4921 -58.0043 -79.6048 GPRESSURE: 1478800 15.8261 -136.121 -42.854 -31.7067 -243.413 -73.3775 -1.75908 -164.11 -139.47 PRESSAVG: 1478800 -5.94286 -26.0363 30.9774 -26.0362 57.88 31.2168 30.9775 31.2168 7.22594 GPRESSAVG: 1478800 -5.27067 -25.1507 29.4008 -25.831 57.4704 31.9033 26.8126 31.0847 7.0166 TIMING: 1478800 CPU: 4659.97, 0.00314868/step Wall: 4659.97, 0.00314868/step, 3.07976 hours remaining, 237.328125 MB of memory in use. ENERGY: 1478800 4059.6841 20422.8030 14521.9383 236.1355 -203388.1499 2583.6028 0.0000 0.0000 52103.9445 -109460.0417 299.4421 -161563.9863 -109093.5793 299.3183 -152.2927 -122.3524 761477.8881 19.7210 19.7388 PRESSURE: 1479000 -202.621 -95.3531 106.709 -95.3537 -354.838 32.5981 106.709 32.5984 -131.285 GPRESSURE: 1479000 -197.264 -24.1916 60.6279 -168.96 -282.165 39.9504 159.516 28.7043 -121.422 PRESSAVG: 1479000 4.68773 -44.0036 -5.14993 -44.0036 -20.4244 20.7108 -5.14996 20.7108 -9.96012 GPRESSAVG: 1479000 3.44413 -41.5762 -5.90919 -46.0706 -18.321 20.95 -2.47507 19.7015 -11.0449 TIMING: 1479000 CPU: 4660.6, 0.0031498/step Wall: 4660.6, 0.0031498/step, 3.08067 hours remaining, 237.328125 MB of memory in use. ENERGY: 1479000 4037.1171 20408.5604 14500.8982 237.9348 -203187.6356 2595.6531 0.0000 0.0000 51899.4409 -109508.0312 298.2668 -161407.4721 -109149.3570 299.3753 -229.5815 -200.2836 761875.3777 -8.5656 -8.6406 PRESSURE: 1479200 99.45 -120.608 -256.428 -120.607 351.852 -52.1655 -256.427 -52.165 442.042 GPRESSURE: 1479200 138.256 -93.5998 -257.621 -104.432 470.089 -7.42784 -118.448 23.0371 366.457 PRESSAVG: 1479200 -24.2033 -19.3141 -71.1839 -19.314 6.68505 1.14692 -71.1839 1.147 -6.77395 GPRESSAVG: 1479200 -24.0368 -22.4812 -70.5644 -17.3134 6.22452 -0.782317 -73.9138 1.09131 -6.3611 TIMING: 1479200 CPU: 4661.23, 0.00313333/step Wall: 4661.23, 0.00313333/step, 3.0644 hours remaining, 237.328125 MB of memory in use. ENERGY: 1479200 3992.9636 20577.1952 14533.4037 223.0949 -203689.1804 2768.8896 0.0000 0.0000 51900.5466 -109693.0868 298.2732 -161593.6334 -109340.8203 298.8909 297.7814 324.9341 759320.6445 -8.0974 -8.0578 PRESSURE: 1479400 -42.074 -1.40147 -145.38 -1.40148 -26.1986 -120.89 -145.38 -120.891 133.578 GPRESSURE: 1479400 -0.432985 -66.6899 -185.54 -6.95861 -43.8378 -117.615 -96.1179 -114.232 196.184 PRESSAVG: 1479400 17.9686 -51.0747 -12.8478 -51.0747 8.61614 22.598 -12.8478 22.598 -8.22137 GPRESSAVG: 1479400 18.3427 -51.6017 -13.6246 -51.4102 7.56766 21.574 -9.10085 22.1047 -7.62172 TIMING: 1479400 CPU: 4661.86, 0.00316312/step Wall: 4661.86, 0.00316312/step, 3.09335 hours remaining, 237.328125 MB of memory in use. ENERGY: 1479400 3933.5871 20334.9438 14564.3587 258.1161 -203768.2383 2719.8449 0.0000 0.0000 52316.6170 -109640.7707 300.6643 -161957.3877 -109267.1572 298.8898 21.7685 50.6377 760864.3763 6.1211 6.0962 PRESSURE: 1479600 -260.957 -93.8519 8.42543 -93.8513 -30.7141 73.7267 8.42507 73.7265 -78.9822 GPRESSURE: 1479600 -193.207 -67.6489 -8.34015 -113.498 -17.6688 27.1098 -9.49369 150.841 -86.2262 PRESSAVG: 1479600 -12.1258 -13.7523 -36.6973 -13.7522 -0.0669972 -5.02587 -36.6973 -5.02581 2.26282 GPRESSAVG: 1479600 -13.7602 -12.0598 -35.7807 -16.1055 -0.100561 -3.16194 -39.4863 -5.72153 4.03363 TIMING: 1479600 CPU: 4662.49, 0.00314873/step Wall: 4662.49, 0.00314873/step, 3.07911 hours remaining, 237.328125 MB of memory in use. ENERGY: 1479600 3968.0007 20520.8176 14516.9168 264.6651 -203027.6498 2252.0711 0.0000 0.0000 51814.8471 -109690.3314 297.7806 -161505.1785 -109330.2275 298.9430 -123.5510 -99.0341 762051.0523 -3.3100 -3.2757 PRESSURE: 1479800 -224.108 -140.276 -16.5637 -140.275 96.4014 -2.39713 -16.5629 -2.39793 228.256 GPRESSURE: 1479800 -90.6762 -216.011 22.4221 -130.893 60.1216 -11.4825 -17.0713 -143.969 229.319 PRESSAVG: 1479800 -40.9668 -27.9489 -9.31497 -27.9489 18.0826 -9.62177 -9.31499 -9.62169 2.2922 GPRESSAVG: 1479800 -38.2904 -27.6206 -9.54176 -24.8967 17.9448 -10.2501 -10.7781 -7.90856 0.0549096 TIMING: 1479800 CPU: 4663.13, 0.00316126/step Wall: 4663.13, 0.00316126/step, 3.09118 hours remaining, 237.328125 MB of memory in use. ENERGY: 1479800 3967.0109 20464.7153 14543.8302 263.6777 -203458.1272 2697.0470 0.0000 0.0000 51905.1045 -109616.7415 298.2993 -161521.8461 -109267.2626 298.9743 33.5163 66.2550 761133.0649 -6.8640 -6.7635 PRESSURE: 1480000 -312.152 81.6345 350.681 81.6339 -143.701 156.892 350.681 156.892 -256.912 GPRESSURE: 1480000 -291.311 48.5809 330.519 139.68 -118.255 189.025 280.641 154.384 -218.177 PRESSAVG: 1480000 33.7313 -28.7857 -7.40035 -28.7857 -23.9697 55.2698 -7.40031 55.2699 11.8914 GPRESSAVG: 1480000 34.2205 -29.8742 -8.41743 -28.7226 -24.85 55.3271 -5.66086 55.0042 12.2576 TIMING: 1480000 CPU: 4663.76, 0.00316917/step Wall: 4663.76, 0.00316917/step, 3.09874 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1480000 3915.9309 20486.8276 14389.1629 252.2467 -203022.8914 2173.5817 0.0000 0.0000 52114.4911 -109690.6505 299.5027 -161805.1416 -109321.6388 299.1466 -237.5884 -209.2477 761891.2276 7.2177 7.2094 PRESSURE: 1480200 2.82548 -102.416 -100.807 -102.415 -141.286 195.185 -100.807 195.185 49.9189 GPRESSURE: 1480200 -24.2031 -130.588 -45.7129 -87.0626 -96.0163 281.879 -52.166 162.498 112.807 PRESSAVG: 1480200 -9.2612 17.8546 -61.7491 17.8546 3.50349 63.8837 -61.7491 63.8837 -19.3693 GPRESSAVG: 1480200 -8.55522 17.8441 -59.4009 19.3122 3.57414 64.935 -62.8846 62.3309 -20.2742 TIMING: 1480200 CPU: 4664.39, 0.00315382/step Wall: 4664.39, 0.00315382/step, 3.08356 hours remaining, 237.328125 MB of memory in use. ENERGY: 1480200 3959.2144 20426.1605 14550.3062 241.0391 -202771.4389 2147.4420 0.0000 0.0000 51603.8354 -109843.4413 296.5680 -161447.2767 -109487.5278 298.0825 -29.5140 -2.4707 762674.7495 -8.3757 -8.4184 LDB: ============= START OF LOAD BALANCING ============== 4676.79 LDB: ============== END OF LOAD BALANCING =============== 4676.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4676.79 LDB: ============= START OF LOAD BALANCING ============== 4677.11 LDB: Largest compute 7031 load 0.033298 is 17.0% of average load 0.195959 LDB: Average compute 0.004386 is 2.2% of average load 0.195959 LDB: TIME 4677.11 LOAD: AVG 0.195959 MAX 0.217141 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 4677.11 LOAD: AVG 0.195959 MAX 0.217141 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: TIME 4677.11 LOAD: AVG 0.195959 MAX 0.217141 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: ============== END OF LOAD BALANCING =============== 4677.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4677.12 PRESSURE: 1480400 197.796 136.774 43.3458 136.775 -36.8112 125.925 43.3459 125.923 268.796 GPRESSURE: 1480400 212.08 -9.3115 14.942 117.592 78.8978 122.211 -43.739 69.3528 244.465 PRESSAVG: 1480400 -28.6453 -17.0494 -3.65581 -17.0494 45.717 23.5039 -3.65582 23.5039 3.37898 GPRESSAVG: 1480400 -29.7251 -15.2648 -3.97517 -21.27 46.5428 22.5128 -5.02864 24.1702 3.86853 TIMING: 1480400 CPU: 4665.04, 0.00323257/step Wall: 4665.04, 0.00323257/step, 3.16038 hours remaining, 237.839844 MB of memory in use. ENERGY: 1480400 3935.4295 20255.9652 14467.5483 242.5926 -203861.7100 2996.3882 0.0000 0.0000 51951.2608 -110012.5254 298.5646 -161963.7862 -109644.1958 298.0934 143.2601 178.4810 760783.6107 6.8169 6.8954 PRESSURE: 1480600 -184.255 -66.9487 -229.933 -66.949 66.1505 -134.237 -229.933 -134.238 -109.986 GPRESSURE: 1480600 -95.1256 77.7793 -170.608 -37.6306 29.371 -142.818 -149.497 -132.636 -69.8459 PRESSAVG: 1480600 8.70903 -29.1048 -44.8018 -29.1048 -29.2189 4.86875 -44.8019 4.86881 11.0642 GPRESSAVG: 1480600 7.31601 -30.543 -45.3409 -27.7926 -29.417 5.15305 -40.7113 6.18502 12.2679 TIMING: 1480600 CPU: 4665.67, 0.00316769/step Wall: 4665.67, 0.00316769/step, 3.09676 hours remaining, 238.042969 MB of memory in use. ENERGY: 1480600 4006.5584 20402.1635 14459.4758 227.6730 -203409.9036 2489.6945 0.0000 0.0000 51875.3320 -109949.0063 298.1282 -161824.3382 -109592.7210 297.7415 -76.0302 -45.2002 762604.9335 -3.1486 -3.2777 PRESSURE: 1480800 65.209 -164.258 -83.7557 -164.257 -184.533 -87.1518 -83.7563 -87.152 313.103 GPRESSURE: 1480800 147.401 -216.514 -41.8986 -124.658 -272.471 -42.7415 -186.748 -140.346 409.499 PRESSAVG: 1480800 39.2819 -33.6307 -60.9367 -33.6307 -15.2447 0.400043 -60.9367 0.400118 0.408586 GPRESSAVG: 1480800 40.3002 -34.0904 -60.3415 -34.8851 -15.8728 0.948422 -64.4241 -0.528316 -0.125229 TIMING: 1480800 CPU: 4666.3, 0.00316929/step Wall: 4666.3, 0.00316928/step, 3.09815 hours remaining, 238.042969 MB of memory in use. ENERGY: 1480800 3881.0068 20577.9036 14468.6813 241.2137 -203521.8911 2577.1719 0.0000 0.0000 51777.7159 -109998.1979 297.5672 -161775.9138 -109638.9511 297.9548 64.5930 94.8095 760571.3006 8.1486 8.1007 PRESSURE: 1481000 60.2567 -111.021 -58.6676 -111.021 -320.67 -46.3314 -58.6679 -46.3309 402.057 GPRESSURE: 1481000 -76.7112 -172.427 -63.0642 -74.7985 -133.123 -17.6751 17.7775 55.7106 426.829 PRESSAVG: 1481000 63.3618 28.781 -45.2509 28.781 -19.4861 -1.11496 -45.251 -1.11493 30.4396 GPRESSAVG: 1481000 63.3857 27.6379 -45.9547 29.8903 -18.565 -1.60536 -43.083 -0.482549 29.1913 TIMING: 1481000 CPU: 4666.94, 0.003176/step Wall: 4666.94, 0.003176/step, 3.10454 hours remaining, 238.042969 MB of memory in use. ENERGY: 1481000 3973.0083 20438.2664 14480.1016 237.3214 -203803.5595 2677.8903 0.0000 0.0000 52064.5956 -109932.3759 299.2159 -161996.9716 -109571.2159 298.4553 47.2145 72.3313 760649.5551 24.7718 24.6706 PRESSURE: 1481200 -277.822 -161.493 -119.3 -161.492 -327.096 -13.2978 -119.301 -13.2967 10.4422 GPRESSURE: 1481200 -249.782 -109.471 -101.118 -104.201 -260.12 -6.82337 -81.1937 -78.4526 9.4262 PRESSAVG: 1481200 -22.7853 -56.0795 -41.4936 -56.0796 -11.4071 19.8198 -41.4936 19.8198 -2.04783 GPRESSAVG: 1481200 -23.1052 -55.5576 -40.444 -53.3123 -10.7768 20.7397 -43.3728 20.073 -2.10977 TIMING: 1481200 CPU: 4667.57, 0.00314358/step Wall: 4667.57, 0.00314358/step, 3.07267 hours remaining, 238.042969 MB of memory in use. ENERGY: 1481200 4093.0259 20215.0105 14458.4066 245.3957 -203637.9245 2580.2066 0.0000 0.0000 51728.7431 -110317.1361 297.2858 -162045.8791 -109961.6528 297.9402 -198.1587 -166.8254 760904.6933 -12.0801 -11.9973 PRESSURE: 1481400 -171.653 -102.049 -60.2018 -102.05 -236.167 2.01563 -60.2019 2.01645 -100.14 GPRESSURE: 1481400 -231.508 -172.512 -165.108 52.3942 -191.952 87.0751 0.425106 92.7702 9.97706 PRESSAVG: 1481400 42.7465 -30.04 -47.5422 -30.04 -39.2089 -88.1484 -47.5421 -88.1486 0.727448 GPRESSAVG: 1481400 42.5406 -28.4501 -49.2756 -33.4442 -39.5541 -88.2068 -46.1762 -89.5861 1.85914 TIMING: 1481400 CPU: 4668.19, 0.00312876/step Wall: 4668.19, 0.00312876/step, 3.05802 hours remaining, 238.042969 MB of memory in use. ENERGY: 1481400 3966.2187 20356.8295 14505.3247 237.8913 -203979.0216 2838.1262 0.0000 0.0000 51803.6751 -110270.9562 297.7164 -162074.6312 -109909.2608 297.3645 -169.3199 -137.8275 760596.2361 1.4217 1.6152 PRESSURE: 1481600 -369.23 36.3659 111.861 36.3666 -68.3613 115.676 111.861 115.676 102.171 GPRESSURE: 1481600 -250.581 -1.34143 73.443 74.1063 -153.281 177.651 126.728 193.543 143.178 PRESSAVG: 1481600 40.4014 5.71575 -1.62309 5.71575 -13.7117 20.3802 -1.62305 20.3803 -0.523068 GPRESSAVG: 1481600 39.9232 7.60505 -1.75918 8.16707 -13.6105 21.5204 -2.09542 20.4089 -0.0187673 TIMING: 1481600 CPU: 4668.82, 0.00314125/step Wall: 4668.82, 0.00314125/step, 3.07005 hours remaining, 238.042969 MB of memory in use. ENERGY: 1481600 3999.3014 20327.5801 14451.9572 252.7707 -203240.4077 2229.8526 0.0000 0.0000 51669.9391 -110309.0066 296.9479 -161978.9457 -109947.0083 297.6048 -111.8068 -86.8945 760153.6053 8.7222 8.7647 PRESSURE: 1481800 6.45712 123.903 69.8261 123.904 -265.733 176.422 69.8268 176.423 -189.541 GPRESSURE: 1481800 -35.6846 77.6909 115.17 192.599 -172.618 175.611 12.3546 183.416 -143.397 PRESSAVG: 1481800 -23.1312 -12.0215 11.5184 -12.0216 -11.2022 -7.90204 11.5184 -7.90209 4.35334 GPRESSAVG: 1481800 -21.6218 -14.6886 12.383 -13.1167 -11.5313 -10.2684 10.0676 -9.20488 3.02009 TIMING: 1481800 CPU: 4669.45, 0.00314526/step Wall: 4669.45, 0.00314526/step, 3.07379 hours remaining, 238.042969 MB of memory in use. ENERGY: 1481800 3990.1734 20349.2901 14486.8071 256.2700 -203795.4615 2571.9101 0.0000 0.0000 52142.6682 -109998.3426 299.6646 -162141.0108 -109640.9666 297.9605 -149.6057 -117.2332 760852.5768 -9.9933 -10.0443 PRESSURE: 1482000 12.5955 -191.678 51.0588 -191.678 238.977 3.80785 51.059 3.80813 180.438 GPRESSURE: 1482000 84.7761 -27.1159 48.5352 -220.336 198.73 79.2128 12.5081 -37.2464 242.789 PRESSAVG: 1482000 22.5564 8.91313 -39.962 8.91311 -12.6721 -0.0362846 -39.962 -0.0362691 -18.6728 GPRESSAVG: 1482000 22.7603 10.5803 -41.2203 9.79246 -12.4818 -0.243742 -38.7206 2.58638 -18.0126 TIMING: 1482000 CPU: 4670.08, 0.00315069/step Wall: 4670.08, 0.00315069/step, 3.07892 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1482000 3921.0766 20389.5534 14483.4265 241.4665 -203904.3521 2913.9850 0.0000 0.0000 51999.5377 -109955.3064 298.8421 -161954.8441 -109586.4700 298.1451 144.0035 175.4317 762134.9625 -2.9295 -2.5780 PRESSURE: 1482200 -38.1656 129.406 -143.045 129.405 -181.258 10.8613 -143.045 10.8613 82.2824 GPRESSURE: 1482200 2.07881 114.662 -87.5004 174.36 -127.616 -42.8186 -120.715 -130.561 66.3683 PRESSAVG: 1482200 -4.13558 -43.1528 -52.8968 -43.1528 53.4325 -18.6774 -52.8968 -18.6774 15.143 GPRESSAVG: 1482200 -5.31623 -44.34 -50.6766 -44.2685 53.605 -17.8161 -51.8807 -19.2373 15.7008 TIMING: 1482200 CPU: 4670.71, 0.00314897/step Wall: 4670.71, 0.00314897/step, 3.07707 hours remaining, 238.042969 MB of memory in use. ENERGY: 1482200 4020.9914 20446.2394 14467.1859 245.6832 -203746.7867 2786.7342 0.0000 0.0000 51822.8369 -109957.1157 297.8266 -161779.9526 -109604.3623 298.4377 -45.7137 -19.7229 761828.8816 21.4800 21.3299 PRESSURE: 1482400 -83.5303 -148.719 141.216 -148.72 169.439 -427.092 141.215 -427.093 -420.67 GPRESSURE: 1482400 -72.3727 -76.8452 185.66 -177.414 166.946 -406.477 -53.8508 -343.522 -361.511 PRESSAVG: 1482400 -20.7808 -11.0778 -53.6488 -11.0778 -5.6339 -15.1158 -53.6489 -15.1157 15.4161 GPRESSAVG: 1482400 -18.9813 -11.3007 -54.283 -10.7981 -7.24706 -16.372 -52.8474 -14.8817 14.661 TIMING: 1482400 CPU: 4671.35, 0.00318156/step Wall: 4671.35, 0.00318156/step, 3.10874 hours remaining, 238.042969 MB of memory in use. ENERGY: 1482400 4038.0835 20446.2523 14549.1753 252.6030 -203601.9291 2480.5684 0.0000 0.0000 52051.1824 -109784.0642 299.1389 -161835.2466 -109423.0301 298.6904 -111.5873 -88.9791 760033.2278 -3.6662 -3.8558 PRESSURE: 1482600 178.764 31.8384 57.0001 31.8381 -37.8128 -20.5747 57.0013 -20.5758 -175.154 GPRESSURE: 1482600 201.771 44.5083 -16.3704 4.49574 -1.07302 -67.8276 47.5819 -10.6364 -161.009 PRESSAVG: 1482600 8.94247 -33.5251 4.34301 -33.5252 31.1208 31.311 4.34306 31.311 -1.87921 GPRESSAVG: 1482600 8.21558 -33.3868 4.19083 -33.9837 31.2935 32.963 2.32397 31.5189 -1.42939 TIMING: 1482600 CPU: 4671.98, 0.00314619/step Wall: 4671.98, 0.0031462/step, 3.07401 hours remaining, 238.042969 MB of memory in use. ENERGY: 1482600 4039.5508 20511.0723 14486.0530 247.7217 -203198.8093 2401.6415 0.0000 0.0000 51861.4094 -109651.3605 298.0482 -161512.7699 -109296.8948 298.8051 -11.4008 13.2297 761412.9892 12.7280 12.6932 PRESSURE: 1482800 191.653 18.3304 -156.579 18.3304 188.837 58.635 -156.578 58.6343 -318.44 GPRESSURE: 1482800 269.502 -15.6895 -206.899 -13.3673 153.966 147.456 -29.7142 65.7731 -293.281 PRESSAVG: 1482800 2.53126 -43.9843 -1.03819 -43.9843 -12.9106 -15.1132 -1.03816 -15.1132 11.9906 GPRESSAVG: 1482800 2.93893 -44.6043 -1.40315 -43.8035 -14.3704 -15.0525 0.0279388 -17.4772 12.4985 TIMING: 1482800 CPU: 4672.61, 0.00314714/step Wall: 4672.61, 0.00314714/step, 3.07475 hours remaining, 238.042969 MB of memory in use. ENERGY: 1482800 3986.2300 20520.0311 14531.4931 242.8910 -203732.4465 2707.2509 0.0000 0.0000 52136.6600 -109607.8904 299.6301 -161744.5505 -109256.6466 298.8363 20.6834 43.3958 760849.6763 0.5371 0.3557 PRESSURE: 1483000 -118.576 -163.716 65.7798 -163.715 -115.955 -16.5446 65.7796 -16.5446 5.34907 GPRESSURE: 1483000 -101.144 -113.883 86.9298 -99.253 31.4697 14.5545 -7.33815 100.044 -63.8476 PRESSAVG: 1483000 -48.5747 -4.84244 8.21867 -4.84241 48.0454 -5.71899 8.21863 -5.71896 -10.0147 GPRESSAVG: 1483000 -49.1934 -4.11937 10.1502 -2.56457 49.7525 -6.56938 9.71835 -2.84753 -10.8968 TIMING: 1483000 CPU: 4673.23, 0.00313944/step Wall: 4673.23, 0.00313944/step, 3.06706 hours remaining, 238.042969 MB of memory in use. ENERGY: 1483000 3991.5998 20501.1019 14489.8933 231.5411 -203201.9747 2236.6855 0.0000 0.0000 51951.8134 -109799.3396 298.5678 -161751.1529 -109434.2850 299.0002 -76.3939 -44.5073 760712.8051 -3.5147 -3.4459 PRESSURE: 1483200 -270.872 61.6813 90.7052 61.6817 80.5523 42.251 90.7043 42.2513 76.9439 GPRESSURE: 1483200 -237.89 -142.048 72.5362 -2.52261 57.2943 95.7784 181.331 -59.1641 126.18 PRESSAVG: 1483200 7.54722 14.1795 -37.6969 14.1796 -16.8768 20.0416 -37.6969 20.0415 12.5538 GPRESSAVG: 1483200 7.70073 13.0271 -39.5477 12.2015 -16.6936 20.4138 -40.8632 21.5149 12.2163 TIMING: 1483200 CPU: 4673.86, 0.00314549/step Wall: 4673.86, 0.00314549/step, 3.07279 hours remaining, 238.042969 MB of memory in use. ENERGY: 1483200 4007.7855 20523.9834 14485.6923 233.5941 -203711.5080 2639.5269 0.0000 0.0000 51826.2135 -109994.7121 297.8460 -161820.9257 -109630.4742 298.8824 -37.7918 -18.1384 759929.7557 1.0748 1.0745 PRESSURE: 1483400 -257.917 -53.8054 51.6425 -53.8049 21.0845 -204.029 51.6426 -204.029 147.953 GPRESSURE: 1483400 -274.572 -80.3097 -29.3087 -92.299 98.9786 -137.294 -50.8274 -128.868 191.814 PRESSAVG: 1483400 36.66 -37.417 -42.2368 -37.4171 -7.39562 -11.3604 -42.2368 -11.3605 11.2678 GPRESSAVG: 1483400 36.658 -37.4534 -43.5553 -36.5678 -8.78913 -12.0144 -41.2048 -13.1267 12.0842 TIMING: 1483400 CPU: 4674.49, 0.00314817/step Wall: 4674.49, 0.00314817/step, 3.07524 hours remaining, 238.042969 MB of memory in use. ENERGY: 1483400 3915.6261 20459.1716 14558.1467 243.3731 -203446.3590 2482.7904 0.0000 0.0000 51797.7167 -109989.5344 297.6822 -161787.2511 -109632.8976 298.6480 -29.6267 5.4069 760891.6282 13.5107 13.3177 PRESSURE: 1483600 -163.034 221.881 -72.1802 221.881 231.807 27.9117 -72.1791 27.9112 -112.498 GPRESSURE: 1483600 -71.0153 164.494 28.9617 121.625 165.909 61.5181 -120.97 57.2295 -62.3403 PRESSAVG: 1483600 -53.8365 11.9339 -29.0451 11.9338 71.4171 3.89453 -29.045 3.89459 1.09876 GPRESSAVG: 1483600 -53.2511 13.2165 -27.1751 9.51661 71.9417 5.1451 -29.1414 3.71537 0.157192 TIMING: 1483600 CPU: 4675.12, 0.0031447/step Wall: 4675.12, 0.0031447/step, 3.07168 hours remaining, 238.042969 MB of memory in use. ENERGY: 1483600 3946.9495 20548.3562 14499.2547 257.6625 -203483.0325 2534.4354 0.0000 0.0000 51854.6884 -109841.6858 298.0096 -161696.3741 -109472.4910 298.7887 -14.5750 10.8512 761505.1603 6.2264 6.2826 PRESSURE: 1483800 -285.061 114.304 -83.7651 114.304 -54.4369 90.1824 -83.7654 90.1817 -85.2137 GPRESSURE: 1483800 -251.514 135.481 -15.3813 236.151 12.7486 137.252 -77.5631 11.794 -101.393 PRESSAVG: 1483800 -79.9136 -12.1968 -25.4851 -12.1968 35.4627 -34.3302 -25.4851 -34.3302 1.76078 GPRESSAVG: 1483800 -80.2785 -13.8965 -24.7331 -12.3435 36.4109 -33.3684 -23.8948 -34.4964 1.07596 TIMING: 1483800 CPU: 4675.75, 0.00314371/step Wall: 4675.75, 0.00314371/step, 3.07053 hours remaining, 238.042969 MB of memory in use. ENERGY: 1483800 3971.1652 20493.4842 14510.6676 232.6387 -204083.9261 2824.1046 0.0000 0.0000 52269.3457 -109782.5201 300.3926 -162051.8659 -109415.4842 299.0501 -141.5706 -113.3862 761383.7967 -14.2300 -14.2639 PRESSURE: 1484000 2.04979 -228.164 -13.7146 -228.164 211.675 -58.1801 -13.7144 -58.1801 238.896 GPRESSURE: 1484000 -7.9292 -300.713 -46.908 -203.004 257.34 -56.8722 -30.9919 -48.0633 254.625 PRESSAVG: 1484000 -61.046 -75.8879 -44.7883 -75.8878 14.9076 28.9944 -44.7883 28.9945 -7.68505 GPRESSAVG: 1484000 -62.1362 -75.8888 -45.917 -75.5522 15.1441 28.2792 -47.1958 29.4301 -7.11721 TIMING: 1484000 CPU: 4676.38, 0.00314425/step Wall: 4676.38, 0.00314425/step, 3.07088 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1484000 3858.1775 20599.0048 14490.5023 245.0817 -203484.6323 2534.2080 0.0000 0.0000 52073.3606 -109684.2974 299.2663 -161757.6581 -109322.8491 299.0277 150.8735 168.0119 760526.4461 -17.9412 -18.0364 PRESSURE: 1484200 105.861 9.35113 -19.5083 9.35164 199.496 -42.0073 -19.5099 -42.0079 -400.04 GPRESSURE: 1484200 197.762 29.5919 -6.05852 -7.73871 264.629 -123.164 135.966 -91.462 -461.896 PRESSAVG: 1484200 -93.883 -56.7038 10.0678 -56.7038 37.4601 -48.1035 10.0678 -48.1036 3.91745 GPRESSAVG: 1484200 -94.126 -56.3663 9.04546 -55.3932 37.954 -48.6186 12.5212 -44.7214 3.77876 TIMING: 1484200 CPU: 4677.01, 0.00314278/step Wall: 4677.01, 0.00314278/step, 3.06928 hours remaining, 238.042969 MB of memory in use. ENERGY: 1484200 4016.0546 20338.2660 14509.8960 250.8045 -203486.0725 2510.3855 0.0000 0.0000 52186.1014 -109674.5647 299.9142 -161860.6660 -109321.3431 299.3319 -31.5611 0.1649 759478.3780 -17.5018 -17.4644 LDB: ============= START OF LOAD BALANCING ============== 4689.4 LDB: ============== END OF LOAD BALANCING =============== 4689.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4689.41 LDB: ============= START OF LOAD BALANCING ============== 4689.72 LDB: Largest compute 7031 load 0.031329 is 16.0% of average load 0.196004 LDB: Average compute 0.004358 is 2.2% of average load 0.196004 LDB: TIME 4689.73 LOAD: AVG 0.196004 MAX 0.218566 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 4689.73 LOAD: AVG 0.196004 MAX 0.218566 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 4689.73 LOAD: AVG 0.196004 MAX 0.218566 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: ============== END OF LOAD BALANCING =============== 4689.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4689.73 PRESSURE: 1484400 93.0048 -244.213 -31.8292 -244.214 165.678 19.6034 -31.8284 19.6028 -110.44 GPRESSURE: 1484400 136.309 -162.903 -37.9579 -251.722 108.869 39.3256 -35.7471 30.4704 -22.774 PRESSAVG: 1484400 -68.5063 -100.941 11.7011 -100.941 79.6907 11.4326 11.7011 11.4326 7.7722 GPRESSAVG: 1484400 -67.4191 -100.869 9.41759 -101.149 78.9249 10.8682 12.2642 8.23708 7.70357 TIMING: 1484400 CPU: 4677.65, 0.00320897/step Wall: 4677.65, 0.00320897/step, 3.13373 hours remaining, 238.097656 MB of memory in use. ENERGY: 1484400 3976.1921 20541.8870 14542.4323 250.3904 -203273.5701 2260.2469 0.0000 0.0000 51887.4717 -109814.9496 298.1980 -161702.4213 -109466.0313 298.9630 49.4142 74.1347 759904.7532 6.3189 6.4031 PRESSURE: 1484600 201.198 -23.774 217.169 -23.7747 156.013 62.4605 217.169 62.4596 138.854 GPRESSURE: 1484600 359.061 -13.4931 140.125 12.0779 44.1234 93.4614 190.21 42.773 168.781 PRESSAVG: 1484600 19.0041 -40.4292 31.4204 -40.4291 -43.7529 -12.1449 31.4204 -12.1449 14.2131 GPRESSAVG: 1484600 19.6247 -38.7818 32.3977 -43.3502 -43.5834 -9.41102 30.2523 -12.4124 13.5893 TIMING: 1484600 CPU: 4678.28, 0.00314058/step Wall: 4678.28, 0.00314058/step, 3.06678 hours remaining, 238.097656 MB of memory in use. ENERGY: 1484600 3932.2495 20388.0199 14487.2843 247.8498 -204003.3952 2868.0456 0.0000 0.0000 51921.6457 -110158.3004 298.3944 -162079.9461 -109791.9737 298.8358 165.3550 190.6550 760231.1285 -3.5119 -3.4565 PRESSURE: 1484800 50.9581 -98.2346 87.9456 -98.2346 -80.3979 -225.239 87.9473 -225.24 -215.026 GPRESSURE: 1484800 -4.47685 -216.858 52.1282 -43.2812 -38.4868 -123.337 72.8463 -150.777 -123.006 PRESSAVG: 1484800 48.6589 -32.1968 -37.6063 -32.1968 -15.4071 54.784 -37.6063 54.784 -11.1596 GPRESSAVG: 1484800 48.7609 -32.7752 -36.6037 -29.3058 -16.3047 54.9239 -37.3985 54.4931 -10.7031 TIMING: 1484800 CPU: 4678.91, 0.00315761/step Wall: 4678.91, 0.00315761/step, 3.08323 hours remaining, 238.097656 MB of memory in use. ENERGY: 1484800 3962.1272 20228.9457 14457.1331 225.8254 -203222.7130 2278.3954 0.0000 0.0000 51593.9920 -110476.2942 296.5114 -162070.2862 -110119.1159 297.2397 -81.4885 -55.3231 760164.4263 7.3641 7.2511 PRESSURE: 1485000 90.6544 69.457 -92.0718 69.4578 -116.711 89.4386 -92.0721 89.4387 -512.33 GPRESSURE: 1485000 80.9239 91.117 -113.347 -2.25363 -61.4981 51.2334 2.58992 92.4364 -459.685 PRESSAVG: 1485000 24.9395 18.729 -23.61 18.7289 -39.197 16.2034 -23.6099 16.2033 11.9481 GPRESSAVG: 1485000 23.684 18.2738 -22.2355 17.7209 -39.1233 15.6178 -23.8182 16.7127 12.4482 TIMING: 1485000 CPU: 4679.54, 0.00314777/step Wall: 4679.54, 0.00314777/step, 3.07345 hours remaining, 238.097656 MB of memory in use. ENERGY: 1485000 3922.1444 20367.3273 14493.9601 248.3682 -203963.1090 2618.3305 0.0000 0.0000 51733.1064 -110579.8720 297.3109 -162312.9784 -110222.0531 297.0518 -179.4623 -146.7531 760665.2048 -0.7698 -0.9970 PRESSURE: 1485200 -303.194 -7.2857 242.005 -7.28594 -234.616 -27.7235 242.006 -27.7227 -223.689 GPRESSURE: 1485200 -251.002 -10.911 160.733 -101.253 -167.154 49.9472 185.398 54.534 -254.418 PRESSAVG: 1485200 38.8779 -17.1461 42.0493 -17.1461 -59.3676 21.4763 42.0493 21.4764 19.9727 GPRESSAVG: 1485200 39.3356 -17.5015 39.0489 -18.1218 -59.0712 21.3981 42.2018 21.2804 19.2655 TIMING: 1485200 CPU: 4680.17, 0.00315326/step Wall: 4680.17, 0.00315326/step, 3.07863 hours remaining, 238.097656 MB of memory in use. ENERGY: 1485200 3933.9232 20327.6385 14411.3670 255.0640 -203555.3128 2503.1655 0.0000 0.0000 51574.1170 -110550.0376 296.3972 -162124.1546 -110198.8809 297.1580 -253.8332 -224.1914 760954.0976 -0.1723 -0.1567 PRESSURE: 1485400 112.882 112.725 -40.4036 112.726 -158.433 230.114 -40.4038 230.115 140.778 GPRESSURE: 1485400 156.929 118.923 -4.72606 175.973 -174.193 264.793 -37.5235 92.7931 179.076 PRESSAVG: 1485400 24.1932 -24.8694 -21.5725 -24.8695 -16.7785 8.69513 -21.5725 8.69521 27.3589 GPRESSAVG: 1485400 25.008 -24.6425 -19.3481 -21.9853 -16.7335 7.87954 -21.9166 8.11909 26.7215 TIMING: 1485400 CPU: 4680.8, 0.00316727/step Wall: 4680.8, 0.00316727/step, 3.09214 hours remaining, 238.097656 MB of memory in use. ENERGY: 1485400 3941.6700 20369.3659 14441.9285 233.0997 -203325.9757 2399.1393 0.0000 0.0000 51763.8686 -110176.9037 297.4877 -161940.7724 -109821.3849 297.5621 31.7422 53.9374 761049.2372 11.5912 11.6653 PRESSURE: 1485600 166.854 32.1157 -19.2224 32.1169 118.029 84.6526 -19.2225 84.6522 -54.2303 GPRESSURE: 1485600 99.1804 -30.5438 -13.6033 129.035 187.755 111.181 56.9091 179.013 20.396 PRESSAVG: 1485600 101.58 33.7956 -13.668 33.7956 -90.4243 7.75829 -13.6679 7.75829 2.94488 GPRESSAVG: 1485600 101.113 35.7714 -13.0551 31.148 -90.8243 9.58132 -12.7338 7.10522 3.80753 TIMING: 1485600 CPU: 4681.44, 0.00317321/step Wall: 4681.44, 0.00317321/step, 3.09776 hours remaining, 238.097656 MB of memory in use. ENERGY: 1485600 3965.7715 20520.1140 14460.7151 248.2933 -203935.1426 2739.7840 0.0000 0.0000 51943.0847 -110057.3800 298.5176 -162000.4647 -109710.8457 298.2352 76.8845 102.4437 758927.9714 4.7002 4.6988 PRESSURE: 1485800 -385.29 -50.7782 200.215 -50.7781 -169.566 287.813 200.214 287.812 -379.573 GPRESSURE: 1485800 -429.691 -107.236 266.662 -15.3963 -80.794 225.381 133.975 139.295 -340.89 PRESSAVG: 1485800 1.69787 36.7453 -53.4056 36.7452 -5.5608 35.7356 -53.4056 35.7355 1.38958 GPRESSAVG: 1485800 1.89607 34.7375 -55.084 38.7925 -5.17497 33.515 -53.2407 37.2915 0.491687 TIMING: 1485800 CPU: 4682.07, 0.00314823/step Wall: 4682.07, 0.00314823/step, 3.07319 hours remaining, 238.097656 MB of memory in use. ENERGY: 1485800 3931.1106 20305.6861 14465.8042 230.4477 -203375.9750 2439.8022 0.0000 0.0000 51916.5918 -110086.5325 298.3654 -162003.1242 -109727.5950 297.8551 -311.4766 -283.7915 761967.8600 -0.8245 -0.9291 PRESSURE: 1486000 96.6861 -168.185 -84.0028 -168.185 157.387 -103.317 -84.0023 -103.317 32.3591 GPRESSURE: 1486000 31.1055 -150.567 22.0397 -195.516 217.072 -103.042 -124.922 -177.652 113.506 PRESSAVG: 1486000 0.463663 -4.07927 -30.9419 -4.07927 -18.799 15.8585 -30.9418 15.8585 -10.9157 GPRESSAVG: 1486000 -0.290918 -2.99206 -30.6778 -5.75646 -18.3517 16.5475 -31.5776 16.5354 -10.9867 TIMING: 1486000 CPU: 4682.7, 0.00315166/step Wall: 4682.7, 0.00315166/step, 3.07637 hours remaining, 238.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1486000 3960.5394 20376.5290 14487.2765 233.3431 -203242.6700 2352.5348 0.0000 0.0000 52094.6627 -109737.7845 299.3887 -161832.4473 -109374.6593 298.4287 95.4775 120.5612 760724.8701 -9.7504 -9.8764 PRESSURE: 1486200 94.3629 -64.7148 -403.274 -64.7142 -110.684 200.944 -403.274 200.944 -179.351 GPRESSURE: 1486200 88.2589 -45.6842 -324.005 36.3424 -96.1452 156.893 -392.925 47.0637 -120.186 PRESSAVG: 1486200 5.69791 -4.37241 -9.20958 -4.37231 -10.1478 7.19049 -9.20951 7.19049 -13.7986 GPRESSAVG: 1486200 5.78282 -5.85603 -8.91972 -3.69162 -10.613 8.09077 -9.05586 6.45157 -13.3472 TIMING: 1486200 CPU: 4683.33, 0.00315121/step Wall: 4683.33, 0.00315121/step, 3.07576 hours remaining, 238.097656 MB of memory in use. ENERGY: 1486200 4074.0215 20440.0377 14421.7161 237.9550 -204015.2854 2924.8868 0.0000 0.0000 52017.2309 -109899.4373 298.9437 -161916.6683 -109541.0159 298.7894 -65.2240 -42.6907 759742.6783 -6.0828 -6.0591 PRESSURE: 1486400 -249.339 7.83641 46.3184 7.83646 -320.357 -83.8576 46.319 -83.8582 -202.614 GPRESSURE: 1486400 -160.018 34.8185 23.8165 -100.3 -318.472 -74.2564 -59.3258 -171.906 -209.286 PRESSAVG: 1486400 -13.0222 -23.9184 -10.8035 -23.9183 12.0017 16.1247 -10.8035 16.1247 -7.75462 GPRESSAVG: 1486400 -12.7639 -24.7607 -10.1098 -26.0492 12.404 15.7894 -11.1498 15.038 -8.84247 TIMING: 1486400 CPU: 4683.96, 0.00313601/step Wall: 4683.96, 0.00313601/step, 3.06075 hours remaining, 238.097656 MB of memory in use. ENERGY: 1486400 4030.0123 20376.2683 14394.0319 217.6918 -203323.0840 2433.9487 0.0000 0.0000 51856.7489 -110014.3821 298.0214 -161871.1310 -109650.0476 298.5649 -257.4368 -229.2585 762098.4498 -2.9250 -3.0675 PRESSURE: 1486600 -50.3667 -392.55 -45.2691 -392.55 -147.144 -249.482 -45.2689 -249.481 -457.514 GPRESSURE: 1486600 -91.8758 -237.312 -34.5632 -301.091 -130.965 -202.81 -94.5612 -226.485 -352.441 PRESSAVG: 1486600 2.63054 -47.0856 -43.2057 -47.0856 -2.14184 8.56875 -43.2057 8.56885 10.9382 GPRESSAVG: 1486600 2.74052 -44.8046 -44.2546 -43.9872 -2.95341 7.971 -41.5851 9.503 11.569 TIMING: 1486600 CPU: 4684.58, 0.00313351/step Wall: 4684.58, 0.00313351/step, 3.05813 hours remaining, 238.097656 MB of memory in use. ENERGY: 1486600 3960.5710 20668.6362 14438.2481 242.8949 -203355.3205 2309.2675 0.0000 0.0000 51687.2929 -110048.4099 297.0476 -161735.7029 -109701.6467 297.6511 -218.3415 -191.7606 761597.2810 3.8090 3.7854 PRESSURE: 1486800 -330.037 140.095 287.952 140.095 -48.4139 139.821 287.952 139.821 290.329 GPRESSURE: 1486800 -322.457 265.14 266.5 101.433 31.9501 139.221 204.848 149.351 257.728 PRESSAVG: 1486800 -22.2956 17.6472 15.5413 17.6471 -34.3269 -18.9669 15.5413 -18.9669 5.05354 GPRESSAVG: 1486800 -22.0234 17.2102 16.8707 16.6957 -34.3433 -18.4883 17.1424 -16.8613 4.85368 TIMING: 1486800 CPU: 4685.21, 0.00314697/step Wall: 4685.21, 0.00314697/step, 3.0711 hours remaining, 238.097656 MB of memory in use. ENERGY: 1486800 3952.4564 20351.7254 14523.5779 262.6624 -203745.5119 2583.8431 0.0000 0.0000 51864.0494 -110207.1973 298.0634 -162071.2467 -109845.5842 297.5600 -29.3739 -10.9263 759650.5893 -17.1896 -17.1710 PRESSURE: 1487000 95.5966 19.3773 14.3372 19.3761 -169.843 35.9081 14.3364 35.9092 -17.3434 GPRESSURE: 1487000 121.524 28.2227 43.3884 -0.783087 -142.845 38.1472 4.16796 -8.4105 6.96165 PRESSAVG: 1487000 -0.42203 -89.7646 41.5522 -89.7646 -40.2805 -13.9445 41.5521 -13.9444 38.0223 GPRESSAVG: 1487000 -0.485666 -89.1786 40.9373 -89.9403 -39.5441 -12.0122 38.393 -16.7903 37.2359 TIMING: 1487000 CPU: 4685.84, 0.00315711/step Wall: 4685.84, 0.00315711/step, 3.08081 hours remaining, 238.097656 MB of memory in use. ENERGY: 1487000 3954.3393 20369.5283 14501.7226 272.2001 -203109.9203 2170.3391 0.0000 0.0000 52030.5280 -109811.2628 299.0202 -161841.7909 -109453.4368 298.0968 -30.5298 -4.7866 759131.3882 -0.8934 -0.9313 PRESSURE: 1487200 -10.4888 318.114 64.87 318.114 153.591 378.374 64.8691 378.375 -89.3155 GPRESSURE: 1487200 80.9446 209.156 50.359 283.645 103.578 470.818 14.8259 322.63 -36.4009 PRESSAVG: 1487200 -0.753508 -28.1261 5.97079 -28.1261 46.6491 -13.5937 5.97079 -13.5937 -16.1431 GPRESSAVG: 1487200 -0.863014 -28.7193 5.59497 -29.3589 45.4871 -13.8294 7.64311 -12.5938 -15.0173 TIMING: 1487200 CPU: 4686.47, 0.00314918/step Wall: 4686.47, 0.00314918/step, 3.0729 hours remaining, 238.097656 MB of memory in use. ENERGY: 1487200 4002.4495 20452.7901 14503.6858 266.4898 -203212.5284 2342.7349 0.0000 0.0000 51779.6131 -109864.7653 297.5781 -161644.3784 -109523.5081 298.2975 17.9289 49.3738 761663.5605 9.9175 9.8689 PRESSURE: 1487400 -23.6981 -215.185 -162.949 -215.185 -353.728 98.0536 -162.948 98.0523 -137.551 GPRESSURE: 1487400 3.79161 -158.574 -196.336 -229.885 -274.571 124.989 -132.891 19.5784 -145.608 PRESSAVG: 1487400 -15.8601 19.85 2.5365 19.85 -4.85661 4.44633 2.53648 4.44639 -13.1102 GPRESSAVG: 1487400 -16.1235 21.8204 2.00083 17.5856 -4.41568 2.82271 3.12869 2.50557 -13.5945 TIMING: 1487400 CPU: 4687.1, 0.00314311/step Wall: 4687.1, 0.00314311/step, 3.0668 hours remaining, 238.097656 MB of memory in use. ENERGY: 1487400 4029.6736 20273.6608 14546.4298 251.4068 -203615.3635 2722.7330 0.0000 0.0000 52022.3417 -109769.1179 298.9731 -161791.4595 -109410.0008 298.6018 -171.6592 -138.7956 761114.2717 -11.2756 -11.3779 PRESSURE: 1487600 -33.4351 59.8621 -193.099 59.8622 -230.555 133.489 -193.1 133.487 364.68 GPRESSURE: 1487600 9.6388 43.0713 -189.023 101.388 -204.044 146.507 -153.35 18.7039 351.569 PRESSAVG: 1487600 50.9592 4.8356 -3.12833 4.83566 -21.7146 -48.9833 -3.12836 -48.9834 -3.50671 GPRESSAVG: 1487600 49.9963 3.43112 -0.534729 8.25673 -21.1907 -48.0654 -5.18691 -48.7814 -3.37351 TIMING: 1487600 CPU: 4687.73, 0.00314462/step Wall: 4687.73, 0.00314462/step, 3.0681 hours remaining, 238.097656 MB of memory in use. ENERGY: 1487600 3979.2024 20545.6200 14454.3146 259.4767 -203255.6403 2381.5534 0.0000 0.0000 51931.9537 -109703.5194 298.4537 -161635.4732 -109342.7472 298.7231 33.5633 52.3880 761930.7549 8.5793 8.4774 PRESSURE: 1487800 106.339 -56.7165 -56.3355 -56.7169 135.961 -225.21 -56.3355 -225.211 304.357 GPRESSURE: 1487800 100.156 7.37027 15.8936 129.826 178.519 -207.759 -9.56809 -84.4142 326.281 PRESSAVG: 1487800 -94.3793 -39.1946 16.0909 -39.1945 67.1183 -28.6702 16.0909 -28.6701 -0.525569 GPRESSAVG: 1487800 -93.4283 -38.2965 16.491 -38.9415 67.0969 -28.7367 17.4926 -28.2785 -1.2674 TIMING: 1487800 CPU: 4688.36, 0.00314562/step Wall: 4688.36, 0.00314562/step, 3.06891 hours remaining, 238.097656 MB of memory in use. ENERGY: 1487800 3968.4337 20507.8332 14414.6566 250.3367 -203654.1385 2650.6351 0.0000 0.0000 52204.2918 -109657.9514 300.0188 -161862.2432 -109286.1384 299.0601 182.2191 201.6521 760614.6636 -9.2622 -9.1996 PRESSURE: 1488000 257.005 -162.095 108.893 -162.096 127.569 -93.1831 108.893 -93.1826 -106.653 GPRESSURE: 1488000 212.165 -208.293 138.462 -124.483 183.903 -48.3869 158.971 -65.9422 -30.7001 PRESSAVG: 1488000 28.7262 -77.028 -16.6066 -77.028 -11.1855 12.9232 -16.6066 12.9233 14.4577 GPRESSAVG: 1488000 28.5459 -78.7622 -18.5327 -76.6226 -12.2953 10.724 -15.875 16.4764 16.0493 TIMING: 1488000 CPU: 4688.99, 0.00315636/step Wall: 4688.99, 0.00315636/step, 3.07921 hours remaining, 238.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1488000 3935.3640 20556.9365 14461.6595 242.8259 -203510.7980 2645.6554 0.0000 0.0000 52070.3870 -109597.9699 299.2492 -161668.3568 -109246.8229 299.4692 92.6404 121.7892 761572.1416 10.6661 10.7666 PRESSURE: 1488200 194.359 237.176 89.0603 237.175 223.563 190.726 89.0603 190.725 -15.1359 GPRESSURE: 1488200 258.761 137.89 117.965 161.883 193.222 171.053 51.573 157.921 35.1606 PRESSAVG: 1488200 11.7066 16.9525 47.6991 16.9525 3.03661 11.6442 47.6992 11.6441 -6.36518 GPRESSAVG: 1488200 12.1029 16.2343 49.0269 16.1458 2.95828 13.1215 46.569 8.73054 -6.99069 TIMING: 1488200 CPU: 4689.62, 0.00316068/step Wall: 4689.62, 0.00316068/step, 3.08324 hours remaining, 238.097656 MB of memory in use. ENERGY: 1488200 4025.5365 20564.5762 14536.9852 223.3308 -203577.1588 2680.5182 0.0000 0.0000 52134.1962 -109412.0156 299.6159 -161546.2118 -109048.3906 299.7734 134.2620 162.3814 760941.3888 2.7927 2.6902 LDB: ============= START OF LOAD BALANCING ============== 4702.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4702.02 LDB: =============== DONE WITH MIGRATION ================ 4702.02 LDB: ============= START OF LOAD BALANCING ============== 4702.34 LDB: Largest compute 7031 load 0.033891 is 17.3% of average load 0.196060 LDB: Average compute 0.004388 is 2.2% of average load 0.196060 LDB: TIME 4702.34 LOAD: AVG 0.19606 MAX 0.21441 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 4702.34 LOAD: AVG 0.19606 MAX 0.21441 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 4702.34 LOAD: AVG 0.19606 MAX 0.21441 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: ============== END OF LOAD BALANCING =============== 4702.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4702.35 PRESSURE: 1488400 -544.684 -18.2528 -86.4065 -18.2525 -147.014 -29.995 -86.4066 -29.9941 -371.597 GPRESSURE: 1488400 -515.982 1.64713 -124.432 -15.835 -121.849 -113.344 -295.265 52.0506 -374.042 PRESSAVG: 1488400 -18.1789 -18.6428 6.13416 -18.6428 -12.8171 -11.6864 6.13424 -11.6865 10.3063 GPRESSAVG: 1488400 -18.4446 -18.3555 4.78594 -18.6253 -12.5213 -11.1376 5.92061 -10.2002 10.4533 TIMING: 1488400 CPU: 4690.27, 0.00322359/step Wall: 4690.27, 0.00322359/step, 3.14444 hours remaining, 238.609375 MB of memory in use. ENERGY: 1488400 3983.2812 20392.7798 14511.9193 262.5619 -203170.9747 2226.7587 0.0000 0.0000 52016.9633 -109776.7107 298.9422 -161793.6739 -109408.5028 299.4829 -354.4319 -337.2911 762278.4702 -6.8966 -6.8375 PRESSURE: 1488600 -29.2349 -177.931 92.7723 -177.931 202.084 102.707 92.7725 102.707 146.814 GPRESSURE: 1488600 -12.1455 -72.399 167.591 -185.962 226.679 124.878 124.799 57.7996 200.107 PRESSAVG: 1488600 2.6567 -31.2538 -1.64336 -31.2538 -3.15777 -21.6012 -1.64334 -21.6011 -3.51819 GPRESSAVG: 1488600 2.3293 -31.0669 -2.79166 -31.6396 -2.37465 -21.3681 -1.54102 -23.0058 -4.01239 TIMING: 1488600 CPU: 4690.9, 0.00315564/step Wall: 4690.9, 0.00315564/step, 3.07798 hours remaining, 238.679688 MB of memory in use. ENERGY: 1488600 3961.9966 20566.2235 14453.5367 246.1391 -203834.6436 2753.4137 0.0000 0.0000 52085.9217 -109767.4124 299.3385 -161853.3341 -109400.0071 298.8735 106.5545 138.2135 761483.4458 -1.3398 -1.3526 PRESSURE: 1488800 -121.331 169.41 -81.761 169.41 -138.293 -127.7 -81.7614 -127.701 -285.667 GPRESSURE: 1488800 -16.6216 152.032 -39.2111 105.056 -149.228 -71.4549 -153.581 2.73731 -299.925 PRESSAVG: 1488800 -25.8032 -6.29446 -29.5452 -6.29448 62.0523 8.03737 -29.5452 8.03733 -1.22681 GPRESSAVG: 1488800 -24.0183 -5.04992 -27.4739 -6.48724 60.7086 7.1674 -29.1451 9.88946 -1.038 TIMING: 1488800 CPU: 4691.53, 0.00315323/step Wall: 4691.53, 0.00315323/step, 3.07545 hours remaining, 238.679688 MB of memory in use. ENERGY: 1488800 4046.7052 20548.5597 14559.7450 237.3921 -203632.3027 2446.1508 0.0000 0.0000 52085.7655 -109707.9845 299.3376 -161793.7500 -109347.2977 298.7715 -181.7633 -155.2585 762100.2842 11.6741 11.8841 PRESSURE: 1489000 -104.779 41.4179 -48.4679 41.4185 -110.809 97.2914 -48.4683 97.2919 89.5247 GPRESSURE: 1489000 -45.5896 32.6912 -53.6767 34.3518 -12.3458 31.3587 -85.3173 246.904 0.0087672 PRESSAVG: 1489000 -51.3289 13.8651 -18.7486 13.8652 49.1564 -2.86704 -18.7486 -2.867 0.895997 GPRESSAVG: 1489000 -52.5836 13.5508 -21.2486 14.8401 50.0375 -2.35003 -17.7059 -5.55748 0.809408 TIMING: 1489000 CPU: 4692.16, 0.00315562/step Wall: 4692.16, 0.00315562/step, 3.0776 hours remaining, 238.679688 MB of memory in use. ENERGY: 1489000 3968.3196 20288.4376 14539.0474 240.1097 -203233.1960 2441.0704 0.0000 0.0000 52039.6702 -109716.5411 299.0727 -161756.2113 -109346.8517 299.1185 -42.0210 -19.3089 762010.8578 -0.4255 -0.5789 PRESSURE: 1489200 82.9137 221.759 61.9838 221.76 -76.4422 -117.712 61.9838 -117.711 388.351 GPRESSURE: 1489200 88.7152 31.5431 -39.9351 227.969 39.1918 -173.928 146.348 11.4436 344.56 PRESSAVG: 1489200 0.152782 -10.859 27.8213 -10.859 16.5613 -31.9606 27.8213 -31.9606 11.8972 GPRESSAVG: 1489200 -1.06991 -11.5214 27.7266 -11.2981 16.896 -31.4847 27.1897 -32.1715 12.3769 TIMING: 1489200 CPU: 4692.79, 0.0031536/step Wall: 4692.79, 0.0031536/step, 3.07546 hours remaining, 238.679688 MB of memory in use. ENERGY: 1489200 3965.2005 20398.9052 14490.8227 235.6978 -203307.3143 2469.5969 0.0000 0.0000 51848.8005 -109898.2907 297.9758 -161747.0913 -109538.1080 298.2064 131.6074 157.4892 759397.3086 9.5371 9.4010 PRESSURE: 1489400 127.372 67.7434 251.621 67.7436 26.6538 120.034 251.621 120.035 150.908 GPRESSURE: 1489400 230.577 14.7309 182.487 -148.333 -3.94971 139.198 265.913 67.0503 176.152 PRESSAVG: 1489400 -39.6342 53.3727 40.3433 53.3728 10.5388 -13.7443 40.3433 -13.7443 10.523 GPRESSAVG: 1489400 -39.2816 52.6248 42.0486 52.5849 9.55194 -13.116 41.842 -15.1222 11.1974 TIMING: 1489400 CPU: 4693.42, 0.00314254/step Wall: 4693.42, 0.00314254/step, 3.0645 hours remaining, 238.679688 MB of memory in use. ENERGY: 1489400 3962.6130 20455.9992 14400.2691 248.9950 -203165.9208 2388.2180 0.0000 0.0000 51755.0591 -109954.7673 297.4370 -161709.8264 -109603.1678 298.4711 101.6446 134.2598 760420.8409 -6.1908 -6.1774 PRESSURE: 1489600 108.094 261.835 244.672 261.836 452.002 6.08345 244.671 6.08293 186.781 GPRESSURE: 1489600 135.537 173.585 229.51 166.533 467.255 16.331 111.17 -4.95124 219.345 PRESSAVG: 1489600 -33.7706 2.0348 16.1007 2.0348 7.54407 38.0905 16.1007 38.0905 -15.2928 GPRESSAVG: 1489600 -33.3526 2.22554 16.3083 2.12194 8.25242 35.8712 15.9176 41.2843 -16.3363 TIMING: 1489600 CPU: 4694.05, 0.00313259/step Wall: 4694.05, 0.00313259/step, 3.05462 hours remaining, 238.679688 MB of memory in use. ENERGY: 1489600 3922.9765 20510.1841 14487.9849 232.9815 -203552.7900 2744.2848 0.0000 0.0000 51791.7407 -109862.6375 297.6478 -161654.3782 -109511.2022 298.4375 248.9588 274.0459 760334.4430 -13.8398 -13.8122 PRESSURE: 1489800 327.79 170.202 113.036 170.202 42.0506 6.91902 113.036 6.91957 229.358 GPRESSURE: 1489800 280.556 210.404 181.701 224.452 151.399 37.1985 -32.5406 60.6142 241.576 PRESSAVG: 1489800 -13.2592 -28.4 18.7278 -28.4 9.41129 -46.1681 18.7278 -46.1681 -5.79253 GPRESSAVG: 1489800 -13.6936 -27.9691 19.4846 -26.9647 10.3412 -44.2407 15.4918 -49.6096 -7.25974 TIMING: 1489800 CPU: 4694.67, 0.00313563/step Wall: 4694.67, 0.00313563/step, 3.05741 hours remaining, 238.679688 MB of memory in use. ENERGY: 1489800 3982.3514 20344.3065 14426.5508 239.6649 -203649.5275 2820.8611 0.0000 0.0000 51938.8358 -109896.9571 298.4932 -161835.7929 -109530.9769 298.4218 199.7330 224.5103 760897.0083 -3.2135 -3.5374 PRESSURE: 1490000 -139.756 -95.1949 43.1424 -95.1951 -181.716 -23.7296 43.143 -23.7292 -81.1317 GPRESSURE: 1490000 -151.843 -65.4895 -46.25 -35.566 -91.5424 -2.99559 11.2168 -182.448 -59.8383 PRESSAVG: 1490000 17.4103 -28.987 -17.8483 -28.9871 30.468 19.8023 -17.8482 19.8023 14.0667 GPRESSAVG: 1490000 18.5794 -31.2975 -20.3077 -28.3332 27.5681 18.7648 -16.949 20.5508 15.2529 TIMING: 1490000 CPU: 4695.3, 0.00312493/step Wall: 4695.3, 0.00312493/step, 3.0468 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1490000 3899.5396 20446.9671 14394.2874 243.6469 -203269.6821 2543.1561 0.0000 0.0000 51832.4715 -109909.6135 297.8819 -161742.0850 -109557.8666 298.4825 -134.2013 -101.0747 761987.3662 20.6483 20.4668 PRESSURE: 1490200 181.859 61.5853 -9.93233 61.5845 240.344 24.1751 -9.93195 24.1749 163.695 GPRESSURE: 1490200 234.465 31.9984 -53.5127 -86.8865 295.31 52.1906 -52.7564 27.8091 133.434 PRESSAVG: 1490200 41.7229 -4.92156 -22.4491 -4.92151 -57.8348 -14.04 -22.4491 -14.0399 -4.65063 GPRESSAVG: 1490200 39.1148 -1.15568 -18.3809 -7.79866 -55.9022 -12.5394 -21.7868 -15.2608 -3.82679 TIMING: 1490200 CPU: 4695.93, 0.0031479/step Wall: 4695.93, 0.0031479/step, 3.06903 hours remaining, 238.679688 MB of memory in use. ENERGY: 1490200 3929.6146 20452.5219 14365.5910 229.6233 -203190.8700 2475.3966 0.0000 0.0000 51958.7083 -109779.4143 298.6074 -161738.1226 -109423.7030 298.3403 195.2995 221.0697 761433.4265 -6.9208 -6.8714 PRESSURE: 1490400 -107.279 -41.74 -104.59 -41.74 59.21 -55.332 -104.59 -55.3326 136.643 GPRESSURE: 1490400 -135.031 31.1022 15.6086 63.3162 107.086 -15.421 -38.9732 33.3327 197.275 PRESSAVG: 1490400 4.43664 -64.5813 25.2899 -64.5813 -0.403619 -23.2615 25.2899 -23.2615 -19.2609 GPRESSAVG: 1490400 4.3498 -65.5758 22.998 -61.6021 -0.139432 -23.7739 25.4697 -19.5113 -19.6023 TIMING: 1490400 CPU: 4696.56, 0.00315286/step Wall: 4696.56, 0.00315286/step, 3.07369 hours remaining, 238.679688 MB of memory in use. ENERGY: 1490400 4018.9497 20408.3524 14501.7692 241.9215 -203127.3412 2402.3151 0.0000 0.0000 51728.2336 -109825.7997 297.2829 -161554.0333 -109474.9327 298.2629 29.5245 56.4432 761486.2717 -5.0760 -5.1307 PRESSURE: 1490600 57.1546 -76.0188 -19.4673 -76.0185 -143.018 52.7904 -19.4672 52.7904 374.445 GPRESSURE: 1490600 187.735 19.0108 -47.8042 -158.811 -80.1859 113.582 71.5092 86.4324 271.422 PRESSAVG: 1490600 33.5111 -30.4089 -56.3291 -30.4089 -19.7864 53.7988 -56.3291 53.7988 11.4869 GPRESSAVG: 1490600 35.3067 -30.4537 -57.7516 -34.1979 -20.3289 53.0081 -55.6698 51.2285 10.6785 TIMING: 1490600 CPU: 4697.19, 0.00314738/step Wall: 4697.19, 0.00314738/step, 3.06817 hours remaining, 238.679688 MB of memory in use. ENERGY: 1490600 3859.6758 20502.4952 14375.7736 256.3859 -203276.6971 2673.5599 0.0000 0.0000 51897.3170 -109711.4897 298.2546 -161608.8066 -109354.3167 298.6251 96.1940 126.3235 761819.4499 8.4039 8.5521 PRESSURE: 1490800 -201.032 -99.5698 206.343 -99.5697 78.1677 -113.509 206.343 -113.509 -222.663 GPRESSURE: 1490800 -172.618 -15.2549 221.012 -95.0192 153.164 -137.832 -30.3368 -51.2056 -239.191 PRESSAVG: 1490800 -13.3753 -36.2114 5.9056 -36.2114 70.7643 -33.5519 5.9056 -33.552 33.6554 GPRESSAVG: 1490800 -13.6427 -36.241 5.99248 -35.4073 70.1494 -32.3785 4.25238 -33.4788 33.9874 TIMING: 1490800 CPU: 4697.82, 0.00316403/step Wall: 4697.82, 0.00316403/step, 3.08423 hours remaining, 238.679688 MB of memory in use. ENERGY: 1490800 4026.1074 20514.8226 14358.6313 241.4353 -203023.4601 2390.6219 0.0000 0.0000 51836.2550 -109655.5866 297.9037 -161491.8415 -109297.6488 298.7264 -115.1755 -86.2153 761644.0200 30.3481 30.1647 PRESSURE: 1491000 -73.6171 -168.028 -73.2947 -168.028 -125.452 83.5904 -73.2942 83.5893 -335.719 GPRESSURE: 1491000 12.7158 -155.693 -51.0949 -105.581 -126.967 101.312 2.77686 250.836 -341.865 PRESSAVG: 1491000 -43.9894 -46.4917 6.9682 -46.4916 48.7598 16.2482 6.96814 16.2482 -2.08565 GPRESSAVG: 1491000 -44.0695 -46.2258 8.56526 -44.3856 48.9689 15.2367 8.67054 19.4335 -2.59663 TIMING: 1491000 CPU: 4698.45, 0.0031589/step Wall: 4698.45, 0.0031589/step, 3.07905 hours remaining, 238.679688 MB of memory in use. ENERGY: 1491000 4040.5428 20525.8221 14454.6197 249.6255 -203026.4546 2225.8779 0.0000 0.0000 52051.1194 -109478.8471 299.1385 -161529.9665 -109117.2606 298.6650 -178.2629 -152.0388 760853.0968 0.8949 0.7676 PRESSURE: 1491200 -56.2384 57.1538 50.5162 57.1533 423.116 -37.7822 50.5166 -37.7824 34.8633 GPRESSURE: 1491200 -13.6847 79.0231 97.359 106.719 420.613 -48.1422 -9.39213 -55.9756 77.8427 PRESSAVG: 1491200 -30.9139 -45.6673 2.42446 -45.6673 25.1509 -14.2639 2.42447 -14.2637 -7.56788 GPRESSAVG: 1491200 -31.493 -49.1955 1.02182 -44.2395 25.7153 -12.898 3.88175 -17.0153 -7.33522 TIMING: 1491200 CPU: 4699.08, 0.00314727/step Wall: 4699.08, 0.00314727/step, 3.06754 hours remaining, 238.679688 MB of memory in use. ENERGY: 1491200 3924.3164 20377.3317 14482.1735 258.9431 -203426.9690 2692.3757 0.0000 0.0000 52037.3156 -109654.5130 299.0592 -161691.8286 -109288.4904 299.2155 133.9136 161.5904 761137.8680 -4.4436 -4.3710 PRESSURE: 1491400 388.492 -90.7001 -171.566 -90.7001 224.764 -0.462988 -171.567 -0.461457 535.52 GPRESSURE: 1491400 346.545 -76.6088 -196.585 -134.361 349.631 40.9617 -151.055 -143.365 534.272 PRESSAVG: 1491400 -35.8268 -30.3194 -5.0541 -30.3193 69.5325 22.5621 -5.05406 22.5622 -9.76446 GPRESSAVG: 1491400 -36.2925 -27.0607 -5.81198 -33.0674 69.54 21.0135 -6.68701 21.716 -9.206 TIMING: 1491400 CPU: 4699.71, 0.00315566/step Wall: 4699.71, 0.00315566/step, 3.07554 hours remaining, 238.679688 MB of memory in use. ENERGY: 1491400 3901.4830 20481.5496 14442.8202 231.7776 -203750.2901 3070.7457 0.0000 0.0000 52135.5275 -109486.3865 299.6236 -161621.9140 -109130.9806 298.8762 382.9251 410.1493 761195.3830 7.9804 8.0138 PRESSURE: 1491600 37.0599 -6.82933 -259.602 -6.82877 -314.418 -356.543 -259.602 -356.543 120.887 GPRESSURE: 1491600 75.0356 15.6619 -278.696 46.8801 -258.536 -288.404 -232.332 -458.468 122.25 PRESSAVG: 1491600 -9.51479 -9.17785 -38.1057 -9.17782 -14.0078 1.9689 -38.1056 1.96896 -0.0796607 GPRESSAVG: 1491600 -9.74226 -9.93062 -36.0164 -8.69635 -13.4119 3.78027 -38.0217 0.955899 -0.638988 TIMING: 1491600 CPU: 4700.34, 0.00315789/step Wall: 4700.34, 0.00315789/step, 3.07754 hours remaining, 238.679688 MB of memory in use. ENERGY: 1491600 3992.9595 20486.7014 14391.4239 245.5088 -203339.4450 2537.3311 0.0000 0.0000 52187.7357 -109497.7847 299.9236 -161685.5204 -109141.5399 299.3436 -52.1568 -20.4168 761353.5324 -7.8674 -7.9310 PRESSURE: 1491800 -421.082 -84.8072 -81.0806 -84.807 184.524 -214.886 -81.0805 -214.886 -419.689 GPRESSURE: 1491800 -339.445 -56.0053 -106.624 -171.487 177.121 -324.803 -39.965 -7.32645 -408.592 PRESSAVG: 1491800 -2.83557 -18.4786 -27.9042 -18.4786 15.32 -14.3218 -27.9042 -14.3218 -5.0416 GPRESSAVG: 1491800 -2.66436 -18.8081 -29.7222 -18.983 15.0793 -15.6166 -28.8643 -11.0465 -4.45609 TIMING: 1491800 CPU: 4700.98, 0.00317629/step Wall: 4700.98, 0.00317629/step, 3.0953 hours remaining, 238.679688 MB of memory in use. ENERGY: 1491800 3976.0599 20425.8927 14466.2083 244.0465 -202591.0594 1829.5480 0.0000 0.0000 52094.4746 -109554.8296 299.3877 -161649.3042 -109182.1892 299.3627 -218.7492 -190.3051 761517.6019 2.4809 2.6530 PRESSURE: 1492000 -99.996 -170.593 168.319 -170.594 222.324 -40.1672 168.32 -40.1665 -276.296 GPRESSURE: 1492000 -30.9042 -199.571 187.156 -213.035 180.488 -20.3287 176.202 -75.9854 -216.056 PRESSAVG: 1492000 7.6637 -42.5525 15.5455 -42.5525 -27.9921 0.235729 15.5455 0.23569 18.6852 GPRESSAVG: 1492000 9.73587 -43.5215 17.3386 -41.2892 -29.1256 -1.70173 16.1785 1.15735 17.6995 TIMING: 1492000 CPU: 4701.61, 0.00315172/step Wall: 4701.61, 0.00315172/step, 3.07118 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1492000 4038.7527 20479.1777 14435.0513 246.1386 -203502.4594 2640.9048 0.0000 0.0000 52118.3497 -109544.0847 299.5249 -161662.4343 -109188.2324 299.6248 -51.3226 -22.1575 761309.6507 -0.5477 -0.5634 PRESSURE: 1492200 -181.063 -203.758 210.392 -203.758 50.5736 -122.522 210.392 -122.521 215.849 GPRESSURE: 1492200 -118.068 -287.641 253.754 -246.068 120.602 -147.748 144.457 -105.208 133.203 PRESSAVG: 1492200 -10.4139 -66.3224 -11.1556 -66.3224 19.1028 18.038 -11.1555 18.038 17.0322 GPRESSAVG: 1492200 -12.1234 -64.0918 -11.5393 -67.5155 19.5114 20.5658 -11.1947 14.3093 17.8013 TIMING: 1492200 CPU: 4702.24, 0.00314897/step Wall: 4702.24, 0.00314897/step, 3.06832 hours remaining, 238.679688 MB of memory in use. ENERGY: 1492200 3959.6280 20580.2950 14459.9885 267.2442 -203712.0684 2630.7884 0.0000 0.0000 52434.2631 -109379.8611 301.3404 -161814.1242 -109008.1719 299.8120 28.4535 45.2459 760766.4532 8.5737 8.3964 LDB: ============= START OF LOAD BALANCING ============== 4714.64 LDB: ============== END OF LOAD BALANCING =============== 4714.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4714.64 LDB: ============= START OF LOAD BALANCING ============== 4714.96 LDB: Largest compute 7038 load 0.032522 is 16.6% of average load 0.196105 LDB: Average compute 0.004366 is 2.2% of average load 0.196105 LDB: TIME 4714.96 LOAD: AVG 0.196105 MAX 0.217715 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 4714.96 LOAD: AVG 0.196105 MAX 0.217715 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.734 MB LDB: TIME 4714.96 LOAD: AVG 0.196105 MAX 0.217715 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4714.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4714.97 PRESSURE: 1492400 -227.215 -293.33 -17.7069 -293.33 -133.258 -25.8742 -17.7067 -25.8735 -161.557 GPRESSURE: 1492400 -135.334 -323.394 35.9109 -360.863 -145.173 45.9067 124.081 -146.18 -158.132 PRESSAVG: 1492400 -17.335 -21.6625 46.1949 -21.6625 22.4296 17.2302 46.1949 17.2303 -2.26307 GPRESSAVG: 1492400 -17.3003 -23.2403 45.4119 -21.1051 23.2416 15.9741 47.9344 18.6473 -3.37757 TIMING: 1492400 CPU: 4702.89, 0.00322772/step Wall: 4702.89, 0.00322772/step, 3.14488 hours remaining, 238.351562 MB of memory in use. ENERGY: 1492400 3998.3449 20532.5525 14478.0094 219.3295 -203245.3713 2405.4596 0.0000 0.0000 52160.4290 -109451.2463 299.7667 -161611.6754 -109087.0436 299.7288 -174.0101 -146.2129 761929.9483 0.9438 0.8546 PRESSURE: 1492600 -108.737 77.9723 22.4284 77.9714 296.389 -44.771 22.4276 -44.7707 628.943 GPRESSURE: 1492600 30.0965 193.817 65.7968 115.523 292.8 -11.9638 35.7177 33.531 579.533 PRESSAVG: 1492600 -74.4989 -31.692 18.31 -31.692 73.3428 -28.8758 18.3101 -28.8758 -36.6293 GPRESSAVG: 1492600 -74.3851 -31.1999 20.4228 -32.3988 73.1168 -29.7971 15.1866 -29.2212 -36.2037 TIMING: 1492600 CPU: 4703.51, 0.00313111/step Wall: 4703.51, 0.00313111/step, 3.05057 hours remaining, 238.351562 MB of memory in use. ENERGY: 1492600 3929.7104 20389.5365 14461.5766 248.1744 -203687.7629 2811.6938 0.0000 0.0000 51955.9678 -109891.1033 298.5917 -161847.0712 -109524.6407 298.8851 272.1984 300.8097 760467.3969 -12.5951 -12.4906 PRESSURE: 1492800 -475.788 -129.768 25.2311 -129.767 -47.719 39.1812 25.231 39.1815 -419.29 GPRESSURE: 1492800 -421.298 -273.484 62.2531 -166.992 -5.59955 86.0429 -120.62 123.517 -419.597 PRESSAVG: 1492800 -18.9572 -33.5907 10.3241 -33.5906 6.30301 16.7523 10.3241 16.7523 11.5388 GPRESSAVG: 1492800 -19.2661 -33.0262 9.8425 -32.6624 5.61141 18.2978 10.2675 18.2018 12.2874 TIMING: 1492800 CPU: 4704.14, 0.0031196/step Wall: 4704.14, 0.0031196/step, 3.03918 hours remaining, 238.351562 MB of memory in use. ENERGY: 1492800 4043.3674 20461.0899 14488.4109 227.7143 -203256.1161 2483.3280 0.0000 0.0000 51712.5065 -109839.6991 297.1925 -161552.2056 -109476.3981 298.6012 -314.2656 -282.1646 762364.2640 -0.3718 -0.4558 PRESSURE: 1493000 -262.464 -174.351 23.9047 -174.351 -466.702 -24.8921 23.9043 -24.8933 -490.183 GPRESSURE: 1493000 -155.812 -124.204 81.2202 -60.253 -458.446 -57.6484 1.88379 1.44383 -535.382 PRESSAVG: 1493000 38.1779 -44.0727 25.2644 -44.0727 -1.01249 -30.9655 25.2644 -30.9655 -7.52092 GPRESSAVG: 1493000 38.6755 -45.0946 24.1164 -44.7797 -1.24802 -31.6775 26.1425 -31.0482 -7.77167 TIMING: 1493000 CPU: 4704.76, 0.00312639/step Wall: 4704.76, 0.00312639/step, 3.04563 hours remaining, 238.351562 MB of memory in use. ENERGY: 1493000 4011.0841 20573.4481 14491.5841 249.3276 -203392.9375 2346.2136 0.0000 0.0000 52051.6745 -109669.6055 299.1417 -161721.2801 -109307.3798 298.7732 -406.4495 -383.2133 761592.4326 9.8815 9.8853 PRESSURE: 1493200 91.8589 133.986 325.267 133.986 186.407 -36.4805 325.268 -36.4793 382.164 GPRESSURE: 1493200 34.7347 157.175 262.095 65.4602 362.393 -58.6441 399.246 -12.7462 356.923 PRESSAVG: 1493200 51.8909 -69.7773 -38.0016 -69.7772 8.33817 -6.0627 -38.0015 -6.06277 -12.2244 GPRESSAVG: 1493200 51.6303 -72.1669 -38.5037 -69.2627 8.51719 -5.72643 -38.3261 -7.04477 -12.0096 TIMING: 1493200 CPU: 4705.39, 0.00313563/step Wall: 4705.39, 0.00313563/step, 3.05445 hours remaining, 238.351562 MB of memory in use. ENERGY: 1493200 3913.2577 20393.8422 14428.5067 237.6517 -203796.1870 2743.7186 0.0000 0.0000 52215.4963 -109863.7137 300.0832 -162079.2101 -109495.3680 298.7255 220.1433 251.3503 760092.0987 16.0015 16.0460 PRESSURE: 1493400 -527.993 133.664 -3.75052 133.664 -63.5261 99.7479 -3.74963 99.7472 -490.954 GPRESSURE: 1493400 -471.082 148.338 -11.4691 183.574 -68.2928 189.195 -51.0587 -4.85537 -449.899 PRESSAVG: 1493400 -20.5321 20.7919 21.4883 20.7919 25.9172 -22.3389 21.4883 -22.3389 10.6269 GPRESSAVG: 1493400 -21.6311 25.0281 20.8149 20.4694 26.2001 -22.7267 22.0465 -22.5942 10.9076 TIMING: 1493400 CPU: 4706.01, 0.0031268/step Wall: 4706.01, 0.0031268/step, 3.04568 hours remaining, 238.351562 MB of memory in use. ENERGY: 1493400 4078.0553 20286.2058 14480.1966 221.3246 -203269.6120 2426.2024 0.0000 0.0000 51933.6675 -109843.9598 298.4635 -161777.6273 -109483.3496 298.5605 -360.8242 -329.7581 762070.6207 5.3373 5.1589 PRESSURE: 1493600 117.598 -6.53459 -25.4057 -6.53419 77.3222 0.521671 -25.4058 0.521438 -145.106 GPRESSURE: 1493600 221.586 46.3823 2.56131 -69.7719 0.70702 -9.42335 -12.548 79.9122 -81.5633 PRESSAVG: 1493600 22.2991 -7.27556 49.3852 -7.27557 -40.2587 13.4759 49.3852 13.4759 -31.6114 GPRESSAVG: 1493600 23.1078 -8.13738 49.3979 -6.53586 -40.1905 13.5222 48.0942 13.0733 -32.4655 TIMING: 1493600 CPU: 4706.64, 0.00313098/step Wall: 4706.64, 0.00313098/step, 3.04958 hours remaining, 238.351562 MB of memory in use. ENERGY: 1493600 4037.1757 20610.8622 14519.5280 249.0334 -203540.3135 2509.4695 0.0000 0.0000 51957.4670 -109656.7776 298.6003 -161614.2446 -109297.5444 299.6099 16.6047 46.9098 761707.6528 -16.5237 -16.5161 PRESSURE: 1493800 204.219 -204.516 -70.1728 -204.517 -46.0659 -145.49 -70.1738 -145.49 209.347 GPRESSURE: 1493800 305.886 -215.062 -78.2404 -155.727 -44.9052 -192.252 -121.373 -136.895 164.427 PRESSAVG: 1493800 1.68034 -1.99394 -10.1842 -1.99396 15.5743 -9.24521 -10.1843 -9.24523 13.6272 GPRESSAVG: 1493800 3.77931 -3.112 -10.3518 -2.78587 14.5343 -7.62464 -8.96164 -7.45113 12.6896 TIMING: 1493800 CPU: 4707.27, 0.00314438/step Wall: 4707.27, 0.00314438/step, 3.06245 hours remaining, 238.351562 MB of memory in use. ENERGY: 1493800 3934.8652 20564.3523 14458.3598 252.7420 -203413.9215 2645.1656 0.0000 0.0000 51869.7802 -109688.6565 298.0963 -161558.4367 -109332.8394 298.9845 122.5002 141.8026 760432.1239 10.2939 10.3344 PRESSURE: 1494000 -31.7392 54.086 56.4156 54.0859 -21.0197 218.891 56.4157 218.892 -118.317 GPRESSURE: 1494000 -77.4326 -39.6704 112.876 119.488 39.5088 203.705 79.985 125.61 -67.4249 PRESSAVG: 1494000 49.5346 -38.4997 4.63462 -38.4997 -18.9123 -58.0498 4.63459 -58.0498 7.03654 GPRESSAVG: 1494000 46.9502 -38.2531 5.80918 -38.1856 -18.4405 -58.0918 4.25043 -59.1054 8.6963 TIMING: 1494000 CPU: 4707.9, 0.00313581/step Wall: 4707.9, 0.00313581/step, 3.05393 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1494000 3966.2649 20311.4443 14498.1322 246.1014 -203277.8951 2717.2800 0.0000 0.0000 51718.3602 -109820.3121 297.2261 -161538.6723 -109458.5518 298.8285 -57.0252 -35.1162 762323.1244 12.5529 12.4020 PRESSURE: 1494200 204.3 -61.7843 227.566 -61.7853 -152.428 -114.959 227.566 -114.96 -16.3531 GPRESSURE: 1494200 296.148 -124.077 267.034 -203.065 -167.679 -120.294 134.799 -119.101 -2.55943 PRESSAVG: 1494200 14.1003 -58.0709 19.1359 -58.0709 -15.8478 -42.8761 19.1359 -42.8761 2.63294 GPRESSAVG: 1494200 14.6473 -58.8554 19.1919 -57.8648 -16.1893 -43.9205 19.9056 -43.8267 2.61128 TIMING: 1494200 CPU: 4708.52, 0.00313401/step Wall: 4708.52, 0.00313401/step, 3.052 hours remaining, 238.351562 MB of memory in use. ENERGY: 1494200 3904.3406 20469.5271 14466.2256 242.4396 -203434.3494 2492.4588 0.0000 0.0000 52042.7343 -109816.6235 299.0903 -161859.3577 -109449.7699 298.1502 11.8397 41.9699 761302.2885 0.2952 0.3564 PRESSURE: 1494400 189.217 -14.6486 68.6272 -14.6482 455.379 92.8637 68.6274 92.8636 327.421 GPRESSURE: 1494400 235.104 43.1358 47.3656 -116.076 557.239 118.585 139.426 127.669 285.092 PRESSAVG: 1494400 -13.6063 9.29468 38.7076 9.29472 49.3079 -16.105 38.7076 -16.1051 2.56384 GPRESSAVG: 1494400 -13.7116 10.8932 37.7246 7.95132 50.0313 -15.7458 37.8764 -13.7487 2.14632 TIMING: 1494400 CPU: 4709.15, 0.00312172/step Wall: 4709.15, 0.00312172/step, 3.03986 hours remaining, 238.351562 MB of memory in use. ENERGY: 1494400 3947.5226 20549.6002 14445.1643 252.2461 -203437.3597 2645.8935 0.0000 0.0000 51746.4408 -109850.4923 297.3875 -161596.9331 -109495.7508 298.7209 324.0056 359.1452 760253.0223 12.7552 12.8220 PRESSURE: 1494600 -139.399 -53.769 42.1695 -53.7695 176.526 127.446 42.1692 127.445 170.965 GPRESSURE: 1494600 -163.223 -14.7751 -11.8391 -38.8165 304.841 144.431 49.6447 -15.1731 164.988 PRESSAVG: 1494600 14.6864 -27.5451 -14.7923 -27.5452 8.18061 -23.0896 -14.7924 -23.0896 4.28794 GPRESSAVG: 1494600 13.7946 -27.0011 -15.0192 -27.7684 9.289 -23.0923 -14.5943 -23.677 3.4134 TIMING: 1494600 CPU: 4709.77, 0.00311974/step Wall: 4709.77, 0.00311974/step, 3.03776 hours remaining, 238.351562 MB of memory in use. ENERGY: 1494600 3936.5300 20332.9042 14452.8427 230.3604 -203494.8388 2611.8115 0.0000 0.0000 52123.3841 -109807.0059 299.5538 -161930.3900 -109441.4946 298.5108 69.3640 102.2019 761418.1094 9.0516 8.8323 PRESSURE: 1494800 -50.9591 -267.864 -235.732 -267.865 -404.986 -219.574 -235.732 -219.574 348.29 GPRESSURE: 1494800 19.3628 -241.602 -265.962 -244.276 -401.556 -255.237 -290.437 -296.123 330.811 PRESSAVG: 1494800 -15.334 -10.848 9.05155 -10.848 -13.817 -4.08517 9.0515 -4.08525 9.4727 GPRESSAVG: 1494800 -13.6813 -11.832 8.78935 -10.0935 -14.6756 -6.42841 11.0141 -4.32366 8.91266 TIMING: 1494800 CPU: 4710.4, 0.00313448/step Wall: 4710.4, 0.00313448/step, 3.05194 hours remaining, 238.351562 MB of memory in use. ENERGY: 1494800 3993.7885 20381.8861 14439.5490 250.4294 -203236.5708 2475.3907 0.0000 0.0000 51898.4489 -109797.0783 298.2611 -161695.5272 -109448.7057 298.5157 -35.8850 -17.1275 762371.6098 -6.5594 -6.4814 PRESSURE: 1495000 49.7247 -103.891 -209.899 -103.891 -446.606 -154.49 -209.899 -154.489 328.19 GPRESSURE: 1495000 -71.4388 -151.346 -191.395 -106.128 -332.712 -92.1482 -189.112 -181.958 406.52 PRESSAVG: 1495000 25.0089 -42.7471 12.8106 -42.7471 -4.78213 -36.5691 12.8107 -36.5691 3.74864 GPRESSAVG: 1495000 23.6078 -43.5476 14.0466 -42.6834 -4.84514 -35.5832 10.8768 -38.0023 4.81241 TIMING: 1495000 CPU: 4711.02, 0.00312597/step Wall: 4711.02, 0.00312597/step, 3.04348 hours remaining, 238.351562 MB of memory in use. ENERGY: 1495000 3987.4614 20529.9690 14491.6106 230.9502 -203897.2211 2777.8081 0.0000 0.0000 52178.7746 -109700.6472 299.8721 -161879.4218 -109338.4994 298.8640 -22.8970 0.7898 759696.4454 7.9918 7.8584 PRESSURE: 1495200 -183.562 -77.5478 -5.9225 -77.5467 69.4614 77.0312 -5.92161 77.0307 -20.1617 GPRESSURE: 1495200 -110.638 -8.04351 26.689 -54.7511 107.204 98.9958 -22.8142 46.894 -64.1214 PRESSAVG: 1495200 1.65892 8.6732 -12.8888 8.67316 1.8152 -12.8323 -12.8888 -12.8322 10.4864 GPRESSAVG: 1495200 1.55957 8.33924 -13.9903 9.97295 2.09579 -11.907 -13.6337 -12.8277 10.9072 TIMING: 1495200 CPU: 4711.65, 0.00313141/step Wall: 4711.65, 0.00313141/step, 3.0486 hours remaining, 238.351562 MB of memory in use. ENERGY: 1495200 3956.1680 20620.7780 14501.6068 250.9708 -203275.6647 2296.1961 0.0000 0.0000 52048.8275 -109601.1176 299.1253 -161649.9450 -109242.1823 299.7295 -44.7540 -22.5186 760479.9256 4.6535 4.8542 PRESSURE: 1495400 134.88 -113.843 128.523 -113.843 -30.4044 -121.939 128.523 -121.94 -121.027 GPRESSURE: 1495400 171.308 -101.79 141.287 -53.89 3.75637 -200.38 60.4393 -131.035 -137.448 PRESSAVG: 1495400 17.6149 -17.2246 20.9262 -17.2245 0.283832 -45.0313 20.9262 -45.0313 -7.10941 GPRESSAVG: 1495400 18.2445 -17.2251 21.6058 -17.8379 0.0684923 -45.4786 22.2429 -44.8971 -7.21364 TIMING: 1495400 CPU: 4712.28, 0.00314427/step Wall: 4712.28, 0.00314427/step, 3.06095 hours remaining, 238.351562 MB of memory in use. ENERGY: 1495400 4035.3075 20485.8675 14475.0727 225.5089 -203073.2018 2443.7255 0.0000 0.0000 51866.0642 -109541.6556 298.0750 -161407.7198 -109180.3200 299.1010 -5.5173 12.5386 761232.1817 3.5965 3.6998 PRESSURE: 1495600 18.0174 4.21838 45.9077 4.21945 -436.21 -71.6511 45.9085 -71.6516 57.1976 GPRESSURE: 1495600 74.7294 23.6653 52.7959 -102.904 -382.187 -60.8376 39.0671 113.403 23.931 PRESSAVG: 1495600 14.8231 -49.1874 16.8985 -49.1874 31.9696 -37.1448 16.8985 -37.1447 33.0394 GPRESSAVG: 1495600 14.7558 -47.3403 15.0961 -50.6444 31.6623 -37.4584 17.2706 -35.442 33.433 TIMING: 1495600 CPU: 4712.9, 0.00312236/step Wall: 4712.9, 0.00312236/step, 3.03944 hours remaining, 238.351562 MB of memory in use. ENERGY: 1495600 3961.4006 20453.9794 14391.2869 249.2213 -203711.1361 2626.1348 0.0000 0.0000 52284.4082 -109744.7049 300.4792 -162029.1131 -109374.5230 299.1953 -120.3317 -94.5089 760676.2215 26.6107 26.6170 PRESSURE: 1495800 3.94127 -127.29 194.575 -127.29 -295.397 -221.482 194.575 -221.482 271.27 GPRESSURE: 1495800 -8.76135 -40.9619 166.305 -177.753 -199.026 -186.6 277.93 -269.285 284.46 PRESSAVG: 1495800 48.4259 -29.7697 13.2935 -29.7697 -32.8751 -5.54475 13.2935 -5.54474 -20.6477 GPRESSAVG: 1495800 49.7228 -31.2241 13.4134 -28.0821 -33.5759 -6.33823 14.6351 -4.63494 -21.2943 TIMING: 1495800 CPU: 4713.53, 0.00311993/step Wall: 4713.53, 0.00311993/step, 3.03691 hours remaining, 238.351562 MB of memory in use. ENERGY: 1495800 4073.6698 20408.9691 14453.4445 244.7496 -203563.2145 2680.1592 0.0000 0.0000 51836.8237 -109865.3986 297.9069 -161702.2223 -109499.5668 298.7077 -6.7284 25.5574 761633.8727 -1.6990 -1.7158 PRESSURE: 1496000 -162.985 136.842 115.028 136.841 -260.462 -174.762 115.028 -174.762 -218.374 GPRESSURE: 1496000 -115.034 112.733 48.8009 23.5651 -305.227 -121.056 77.1402 -279.575 -133.132 PRESSAVG: 1496000 53.2319 -20.0133 24.9449 -20.0133 -75.1111 -14.7758 24.9449 -14.7759 5.27206 GPRESSAVG: 1496000 52.6696 -21.142 23.9525 -19.3965 -74.9406 -13.2503 24.7854 -19.1096 5.75925 TIMING: 1496000 CPU: 4714.15, 0.00313059/step Wall: 4714.15, 0.00313059/step, 3.04711 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1496000 4012.6981 20555.1737 14397.4397 245.2964 -203695.6711 2688.6072 0.0000 0.0000 52047.5387 -109748.9173 299.1179 -161796.4560 -109389.1313 299.1488 -213.9406 -184.4644 761757.0678 -5.5357 -5.5039 PRESSURE: 1496200 50.0038 -106.384 44.949 -106.383 -219.459 16.0707 44.9485 16.07 43.9443 GPRESSURE: 1496200 47.5805 0.0754823 34.1816 -182.31 -61.2581 92.7254 111.21 52.6309 -32.9075 PRESSAVG: 1496200 27.5163 -41.3392 27.1726 -41.3392 -44.6613 -64.3454 27.1726 -64.3454 7.09733 GPRESSAVG: 1496200 27.2889 -39.2456 29.9612 -43.3919 -43.7574 -64.7148 24.679 -61.558 7.10967 TIMING: 1496200 CPU: 4714.78, 0.00313473/step Wall: 4714.78, 0.00313473/step, 3.05097 hours remaining, 238.351562 MB of memory in use. ENERGY: 1496200 3965.4876 20455.8840 14452.3579 247.5972 -203540.7459 2631.3907 0.0000 0.0000 52176.0740 -109611.9544 299.8566 -161788.0284 -109248.4245 298.9354 -41.8369 -15.5284 762171.5877 -3.3492 -3.1196 LDB: ============= START OF LOAD BALANCING ============== 4727.18 LDB: ============== END OF LOAD BALANCING =============== 4727.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4727.18 LDB: ============= START OF LOAD BALANCING ============== 4727.49 LDB: Largest compute 7031 load 0.032427 is 16.5% of average load 0.196001 LDB: Average compute 0.004374 is 2.2% of average load 0.196001 LDB: TIME 4727.5 LOAD: AVG 0.196001 MAX 0.214847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 4727.5 LOAD: AVG 0.196001 MAX 0.214847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.676 MB LDB: TIME 4727.5 LOAD: AVG 0.196001 MAX 0.214847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.676 MB LDB: ============== END OF LOAD BALANCING =============== 4727.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4727.5 PRESSURE: 1496400 -501.212 -185.526 -168.57 -185.525 -24.4858 15.4735 -168.571 15.4744 -5.60725 GPRESSURE: 1496400 -433.443 -219.197 -182.488 -127.314 -78.164 77.5691 -169.802 2.29653 46.4187 PRESSAVG: 1496400 4.59669 12.2966 6.16838 12.2966 9.59172 -16.0719 6.16846 -16.0719 18.3941 GPRESSAVG: 1496400 3.76115 11.2426 5.30077 13.3595 9.31324 -16.1094 5.80716 -16.786 18.6987 TIMING: 1496400 CPU: 4715.42, 0.0032159/step Wall: 4715.42, 0.0032159/step, 3.12978 hours remaining, 237.636719 MB of memory in use. ENERGY: 1496400 4005.3267 20625.3219 14485.9784 237.3089 -203219.8450 2363.0240 0.0000 0.0000 51933.5343 -109569.3509 298.4627 -161502.8852 -109214.8555 299.2676 -177.1018 -155.0628 762289.7894 10.8608 10.5910 PRESSURE: 1496600 -16.5234 67.1347 -170.637 67.1344 -188.524 -178.057 -170.638 -178.056 -5.85395 GPRESSURE: 1496600 -31.2055 119.466 -137.384 166.233 -94.4483 -182.423 -92.7944 -57.0747 -13.4555 PRESSAVG: 1496600 53.1192 -14.9302 -11.6367 -14.9301 -40.1895 -51.9186 -11.6367 -51.9186 2.09556 GPRESSAVG: 1496600 53.1449 -13.9316 -12.4113 -14.1724 -40.0386 -51.2224 -10.0499 -52.0417 2.11633 TIMING: 1496600 CPU: 4716.05, 0.00313901/step Wall: 4716.05, 0.00313901/step, 3.05478 hours remaining, 237.839844 MB of memory in use. ENERGY: 1496600 4032.5875 20452.9083 14387.4992 223.7380 -203765.0579 2780.6838 0.0000 0.0000 52214.9591 -109672.6821 300.0801 -161887.6411 -109310.2881 299.2099 -70.3005 -46.3698 760238.8760 5.0084 5.0742 PRESSURE: 1496800 45.1829 252.174 109.489 252.174 384.348 -176.775 109.489 -176.775 180.649 GPRESSURE: 1496800 125.459 91.4486 139.052 297.236 358.836 -311.315 67.7169 -144.176 225.175 PRESSAVG: 1496800 11.5554 46.5578 -33.352 46.5578 -32.7258 -34.0856 -33.352 -34.0855 -4.47756 GPRESSAVG: 1496800 13.5447 46.0348 -31.9134 46.2857 -33.6918 -34.3539 -31.7714 -34.1937 -5.15491 TIMING: 1496800 CPU: 4716.68, 0.00313439/step Wall: 4716.68, 0.00313439/step, 3.05011 hours remaining, 237.839844 MB of memory in use. ENERGY: 1496800 3915.0423 20503.7978 14609.9775 246.0784 -203305.7198 2457.8548 0.0000 0.0000 51901.9503 -109671.0187 298.2812 -161572.9690 -109312.2997 298.6225 203.3934 236.4901 761824.5985 -8.5493 -8.4340 PRESSURE: 1497000 343.37 -169.285 74.5497 -169.286 356.444 -205.97 74.5488 -205.97 -192.563 GPRESSURE: 1497000 341.706 -227.112 -8.60781 -168.675 433.005 -155.505 112.826 -198.929 -188.386 PRESSAVG: 1497000 -11.1162 33.0411 55.9489 33.0411 -17.5127 -4.23283 55.9489 -4.23282 -6.48066 GPRESSAVG: 1497000 -13.1717 34.0479 55.421 32.194 -17.3082 -4.30918 54.6467 -4.77519 -4.62057 TIMING: 1497000 CPU: 4717.31, 0.00314841/step Wall: 4717.31, 0.00314841/step, 3.06358 hours remaining, 237.839844 MB of memory in use. ENERGY: 1497000 3979.5915 20622.1718 14571.7426 252.7872 -204300.6794 3104.9027 0.0000 0.0000 51990.0721 -109779.4114 298.7877 -161769.4835 -109411.6433 298.9327 169.0837 195.4415 760181.8201 -11.7032 -11.7001 PRESSURE: 1497200 446.297 132.988 -256.052 132.988 293.262 68.0265 -256.052 68.0266 421.055 GPRESSURE: 1497200 405.741 124.566 -208.116 92.0217 377.754 184.777 -209.995 22.9652 449.738 PRESSAVG: 1497200 30.8642 25.2395 47.6408 25.2395 -12.898 -14.6522 47.6409 -14.6521 7.06559 GPRESSAVG: 1497200 31.2027 24.3914 47.8271 25.6157 -11.5982 -16.0561 45.3337 -15.5633 5.52651 TIMING: 1497200 CPU: 4717.93, 0.00313768/step Wall: 4717.93, 0.00313768/step, 3.05297 hours remaining, 237.839844 MB of memory in use. ENERGY: 1497200 3968.8005 20500.3987 14512.4079 245.7219 -204161.6527 3254.2998 0.0000 0.0000 52066.3782 -109613.6457 299.2262 -161680.0240 -109253.0008 299.4104 386.8717 411.0774 761796.8933 8.3439 8.3770 PRESSURE: 1497400 -110.168 -221.907 -29.3938 -221.906 -239.856 -71.3413 -29.3938 -71.3419 100.882 GPRESSURE: 1497400 -129.08 -222.031 -215.415 -195.782 -182.596 -69.5476 -51.2666 -93.3396 160.561 PRESSAVG: 1497400 31.2741 7.46745 -30.6116 7.46741 -15.1938 8.35752 -30.6116 8.35759 4.47045 GPRESSAVG: 1497400 31.7776 7.79688 -30.9353 6.67372 -14.2962 10.3807 -29.7339 9.2262 3.41023 TIMING: 1497400 CPU: 4718.56, 0.00314129/step Wall: 4718.56, 0.00314129/step, 3.0563 hours remaining, 237.839844 MB of memory in use. ENERGY: 1497400 4011.8452 20827.0567 14541.0282 249.1853 -203724.1168 2475.0605 0.0000 0.0000 51871.8461 -109748.0949 298.1082 -161619.9410 -109387.9658 299.5667 -83.0476 -50.3717 762263.7815 6.8503 6.9639 PRESSURE: 1497600 -1.61283 -55.5319 -106.028 -55.5328 -500.347 -89.8521 -106.028 -89.8529 239.666 GPRESSURE: 1497600 -2.56792 -88.4032 -112.126 -89.1209 -425.77 -35.0899 -61.2583 -139.452 254.917 PRESSAVG: 1497600 80.7816 -4.71754 -20.2481 -4.7176 -44.4882 -5.64809 -20.2481 -5.64805 -4.32815 GPRESSAVG: 1497600 81.5793 -5.78 -20.9694 -3.2028 -47.2477 -6.71452 -16.8272 -3.80116 -2.53349 TIMING: 1497600 CPU: 4719.19, 0.00315135/step Wall: 4719.19, 0.00315135/step, 3.06591 hours remaining, 237.839844 MB of memory in use. ENERGY: 1497600 3967.3196 20519.1403 14480.2067 231.2686 -203421.2179 2372.1775 0.0000 0.0000 52134.8988 -109716.2063 299.6200 -161851.1052 -109355.6757 299.3098 -87.4315 -57.8069 762002.1305 10.6551 10.5994 PRESSURE: 1497800 -302.749 -139.836 128.65 -139.835 -74.1859 11.352 128.65 11.3527 -136.712 GPRESSURE: 1497800 -247.769 -203.446 111.367 -146.782 -100.89 45.9603 114.511 -24.7795 -51.5172 PRESSAVG: 1497800 25.2182 -44.5017 -42.7214 -44.5016 -14.3995 -58.8362 -42.7213 -58.8362 7.36675 GPRESSAVG: 1497800 25.6848 -44.5067 -41.957 -43.8648 -14.5636 -57.9294 -43.4303 -58.3809 7.27205 TIMING: 1497800 CPU: 4719.82, 0.00315139/step Wall: 4719.82, 0.00315139/step, 3.06578 hours remaining, 237.839844 MB of memory in use. ENERGY: 1497800 3982.8869 20548.8876 14547.5137 243.2040 -203696.6580 2694.4689 0.0000 0.0000 52030.9314 -109648.7656 299.0225 -161679.6970 -109279.8065 298.8660 -171.2155 -133.3921 762250.4744 6.0618 6.1311 PRESSURE: 1498000 191.747 -71.4911 171.166 -71.4913 -29.0424 -173.807 171.166 -173.807 223.028 GPRESSURE: 1498000 213.887 -2.31275 98.409 -64.3284 81.0252 -211.919 126.234 -142.9 174.604 PRESSAVG: 1498000 -6.57827 -18.4923 2.03915 -18.4922 18.0292 27.3587 2.03911 27.3587 8.87828 GPRESSAVG: 1498000 -8.18506 -17.4684 0.930873 -19.1987 19.5806 26.4059 0.345958 25.7656 8.97481 TIMING: 1498000 CPU: 4720.45, 0.003148/step Wall: 4720.45, 0.003148/step, 3.0623 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1498000 3957.9135 20538.3011 14558.8614 240.6361 -203491.3180 2610.3581 0.0000 0.0000 51774.2479 -109811.0000 297.5473 -161585.2479 -109443.6536 298.6161 128.5777 156.5055 761520.1614 6.7764 6.7901 PRESSURE: 1498200 -287.704 -262.356 -266.619 -262.356 -277.558 -105.977 -266.618 -105.976 -566.739 GPRESSURE: 1498200 -192.172 -116.532 -238.951 -110.658 -347.305 -93.0648 -256.203 -59.3777 -514.552 PRESSAVG: 1498200 36.0206 -30.8678 -33.3417 -30.8678 -4.25254 19.7506 -33.3417 19.7506 6.28772 GPRESSAVG: 1498200 36.4265 -30.1293 -33.0093 -32.4972 -4.42694 18.2055 -32.9093 19.6188 6.07422 TIMING: 1498200 CPU: 4721.08, 0.00313101/step Wall: 4721.08, 0.00313101/step, 3.0456 hours remaining, 237.839844 MB of memory in use. ENERGY: 1498200 4038.4923 20519.1567 14462.0785 235.8521 -203515.9863 2409.3808 0.0000 0.0000 51837.3706 -110013.6553 297.9101 -161851.0259 -109647.4180 298.8344 -377.3336 -351.3429 764130.0493 12.6853 12.6913 PRESSURE: 1498400 -123.812 -34.5699 -272.873 -34.5709 -407.854 -45.3279 -272.873 -45.3286 -146.735 GPRESSURE: 1498400 -146.642 -69.8992 -268.628 -43.6936 -331.117 40.3797 -26.8691 -8.18322 -113.798 PRESSAVG: 1498400 16.0689 -17.487 18.6593 -17.487 -12.3173 -45.3306 18.6593 -45.3306 -5.22198 GPRESSAVG: 1498400 16.3767 -18.795 17.2196 -14.6168 -12.9201 -42.4717 21.1635 -45.6148 -4.90876 TIMING: 1498400 CPU: 4721.7, 0.00311953/step Wall: 4721.7, 0.00311953/step, 3.03426 hours remaining, 237.839844 MB of memory in use. ENERGY: 1498400 4032.5591 20621.4478 14528.7906 270.3584 -203137.2513 2230.2401 0.0000 0.0000 51708.8003 -109745.0550 297.1712 -161453.8553 -109385.7623 298.6035 -226.1335 -197.1857 763850.2449 -0.4901 -0.4841 PRESSURE: 1498600 -208.753 -118.817 -114.684 -118.818 -180.946 -16.5962 -114.684 -16.5962 22.0256 GPRESSURE: 1498600 -220.861 -156.452 -160.242 -69.398 -54.7725 18.0362 -51.4978 -146.905 3.77178 PRESSAVG: 1498600 20.8269 -19.8374 -14.0971 -19.8373 -26.7568 28.244 -14.0971 28.2439 -5.66799 GPRESSAVG: 1498600 20.4314 -20.6087 -11.0772 -18.4448 -27.0637 27.8434 -15.7336 29.1907 -5.26259 TIMING: 1498600 CPU: 4722.33, 0.00314228/step Wall: 4722.33, 0.00314228/step, 3.05621 hours remaining, 237.839844 MB of memory in use. ENERGY: 1498600 4007.1426 20585.4943 14475.3346 242.9733 -203339.2542 2461.9949 0.0000 0.0000 51739.5751 -109826.7393 297.3480 -161566.3145 -109468.9459 298.1862 -122.5578 -90.6207 763198.9865 -3.8660 -3.9650 PRESSURE: 1498800 -219.63 22.312 227.746 22.3118 -199.987 64.2774 227.745 64.2781 -248.144 GPRESSURE: 1498800 -177.167 132.759 178.771 58.8098 -105.443 61.7213 305.541 72.966 -312.343 PRESSAVG: 1498800 36.2097 -40.7596 63.7852 -40.7596 -33.2387 -38.2208 63.7852 -38.2208 37.4183 GPRESSAVG: 1498800 36.0841 -40.0071 60.8502 -43.2903 -31.6562 -38.577 63.8184 -39.0156 35.7603 TIMING: 1498800 CPU: 4722.96, 0.00313488/step Wall: 4722.96, 0.00313488/step, 3.04884 hours remaining, 237.839844 MB of memory in use. ENERGY: 1498800 4000.0815 20555.6487 14518.0448 244.0791 -203413.0367 2481.4161 0.0000 0.0000 51984.2949 -109629.4716 298.7545 -161613.7665 -109262.0487 299.0650 -222.5867 -198.3176 761548.6411 13.4631 13.3961 PRESSURE: 1499000 168.449 -297.281 -93.2106 -297.28 36.7518 60.6359 -93.21 60.6361 48.8913 GPRESSURE: 1499000 207.254 -377.248 -106.021 -110.18 47.2396 49.0425 -61.6589 15.1427 88.7037 PRESSAVG: 1499000 88.8483 -12.1488 -25.818 -12.1488 -118.796 -25.0781 -25.8179 -25.0781 -1.41863 GPRESSAVG: 1499000 90.2523 -10.8226 -23.1495 -10.3732 -121.131 -25.3072 -27.1008 -25.0121 -0.2909 TIMING: 1499000 CPU: 4723.59, 0.00313725/step Wall: 4723.59, 0.00313725/step, 3.05097 hours remaining, 237.839844 MB of memory in use. ENERGY: 1499000 4001.3475 20477.1115 14509.2770 238.7521 -203826.6960 2876.9432 0.0000 0.0000 52158.5264 -109564.7383 299.7558 -161723.2648 -109190.5691 299.3194 84.6974 114.3991 761242.0697 -10.4554 -10.3900 PRESSURE: 1499200 -289.028 191.371 41.5624 191.371 154.525 -180.764 41.561 -180.764 -198.372 GPRESSURE: 1499200 -217.134 249.487 -83.9107 79.3786 177.284 -147.761 131.81 -139.505 -214.462 PRESSAVG: 1499200 41.5098 -2.4483 11.9226 -2.44832 -45.9568 -67.0053 11.9225 -67.0052 -7.30956 GPRESSAVG: 1499200 40.3698 -3.77111 9.82537 -4.55584 -45.2825 -66.288 12.1476 -66.0112 -7.09732 TIMING: 1499200 CPU: 4724.21, 0.00312652/step Wall: 4724.21, 0.00312652/step, 3.04037 hours remaining, 237.839844 MB of memory in use. ENERGY: 1499200 4004.1004 20628.1161 14522.5499 254.6620 -203800.2734 2778.9799 0.0000 0.0000 51948.2625 -109663.6027 298.5474 -161611.8652 -109303.7811 299.1921 -110.9583 -84.7708 761648.4937 -3.9189 -4.0033 PRESSURE: 1499400 419.998 94.4345 -191.929 94.435 -65.2662 29.0547 -191.929 29.0547 430.499 GPRESSURE: 1499400 489.244 170.574 -239.276 73.255 -11.868 117.7 -48.0413 16.815 380.362 PRESSAVG: 1499400 22.2292 -39.117 11.4402 -39.117 -29.5333 -3.62797 11.4402 -3.62805 13.9192 GPRESSAVG: 1499400 21.7991 -38.5491 14.1456 -35.7528 -29.6254 -4.04331 12.8125 -3.01018 14.4118 TIMING: 1499400 CPU: 4724.84, 0.00313863/step Wall: 4724.84, 0.00313863/step, 3.05197 hours remaining, 237.839844 MB of memory in use. ENERGY: 1499400 3983.7831 20565.7391 14461.1084 222.2221 -204243.9984 2942.7083 0.0000 0.0000 52112.5066 -109955.9307 299.4913 -162068.4373 -109588.4700 298.9671 261.7439 285.9127 760229.8352 2.2050 2.1952 PRESSURE: 1499600 130.504 -111.247 -89.262 -111.247 14.3804 135.805 -89.262 135.804 -19.4297 GPRESSURE: 1499600 75.3651 -161.357 -89.7604 -216.005 112.459 199.931 -47.0735 -10.3972 26.1938 PRESSAVG: 1499600 0.979949 -43.0519 55.283 -43.0519 -11.5139 25.9403 55.283 25.9403 -7.03605 GPRESSAVG: 1499600 0.71416 -41.7297 54.1901 -45.8788 -11.5303 25.7444 55.6378 25.9158 -7.24317 TIMING: 1499600 CPU: 4725.46, 0.00312423/step Wall: 4725.46, 0.00312423/step, 3.03779 hours remaining, 237.839844 MB of memory in use. ENERGY: 1499600 3983.8500 20376.2677 14471.5770 241.7650 -203545.8050 2721.8789 0.0000 0.0000 51936.3721 -109814.0944 298.4790 -161750.4665 -109454.8980 298.9697 41.8183 71.3395 762152.6279 -5.8567 -6.0198 PRESSURE: 1499800 302.311 91.7026 66.6847 91.7036 71.6201 -98.7844 66.6845 -98.7843 449.754 GPRESSURE: 1499800 295.632 75.7638 128.743 129.836 98.0638 -132.914 7.58373 -54.3118 486.65 PRESSAVG: 1499800 48.0174 -25.5746 -9.64731 -25.5746 -7.3631 10.9397 -9.64737 10.9397 -23.8755 GPRESSAVG: 1499800 47.4446 -26.5606 -9.87091 -25.2279 -6.11386 10.3519 -9.68513 9.46835 -24.5633 TIMING: 1499800 CPU: 4726.09, 0.00311827/step Wall: 4726.09, 0.00311827/step, 3.03182 hours remaining, 237.839844 MB of memory in use. ENERGY: 1499800 3944.0200 20693.2700 14425.9603 239.6064 -203784.5166 2884.0735 0.0000 0.0000 52098.9898 -109498.5966 299.4136 -161597.5864 -109134.9822 299.1419 274.5614 293.4484 762021.1397 5.5929 5.5891 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500000 -357.595 -171.143 31.7997 -171.143 276.835 -323.611 31.8005 -323.612 -57.676 GPRESSURE: 1500000 -292.409 -145.978 -41.1545 -141.886 318.965 -363.934 -73.9333 -162.115 -73.9042 PRESSAVG: 1500000 8.15788 -14.2822 74.4486 -14.2821 -29.6176 -5.10447 74.4486 -5.1045 -10.2787 GPRESSAVG: 1500000 9.1488 -12.6155 73.2215 -14.8594 -30.7538 -3.7337 73.8491 -4.58089 -10.3254 TIMING: 1500000 CPU: 4726.74, 0.00324067/step Wall: 4726.74, 0.00324067/step, 3.15065 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1500000 4041.8414 20722.6600 14461.3674 238.4611 -203660.7138 2758.6807 0.0000 0.0000 51815.2271 -109622.4761 297.7828 -161437.7032 -109256.6625 299.1899 -46.1454 -15.7827 761561.8672 -10.5794 -10.6435 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 PRESSURE: 1500200 -133.599 -126.812 67.2935 -126.812 9.86106 -59.251 67.2938 -59.2509 -31.2825 GPRESSURE: 1500200 -42.4035 -136.803 111.648 -129.754 8.56613 -60.8943 78.9498 -31.7918 -36.2136 PRESSAVG: 1500200 17.7802 -12.6692 56.4979 -12.6691 -49.2053 -22.6996 56.4978 -22.6996 -6.09645 GPRESSAVG: 1500200 18.0631 -14.104 56.257 -10.9201 -49.5756 -22.6811 56.7768 -21.4698 -6.00326 TIMING: 1500200 CPU: 4727.36, 0.00313717/step Wall: 4727.36, 0.00313717/step, 3.04985 hours remaining, 237.839844 MB of memory in use. ENERGY: 1500200 4054.5927 20406.0102 14412.1185 247.0221 -203773.0577 2714.3863 0.0000 0.0000 52114.4067 -109824.5212 299.5022 -161938.9278 -109449.2945 298.9694 -51.6737 -23.3503 760892.2614 -12.5072 -12.5053 LDB: ============= START OF LOAD BALANCING ============== 4739.76 LDB: ============== END OF LOAD BALANCING =============== 4739.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4739.76 LDB: ============= START OF LOAD BALANCING ============== 4740.07 LDB: Largest compute 7068 load 0.031585 is 16.1% of average load 0.196097 LDB: Average compute 0.004340 is 2.2% of average load 0.196097 LDB: TIME 4740.08 LOAD: AVG 0.196097 MAX 0.215069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 4740.08 LOAD: AVG 0.196097 MAX 0.215069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 4740.08 LOAD: AVG 0.196097 MAX 0.215069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 4740.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4740.08 PRESSURE: 1500400 14.236 -11.8018 -90.516 -11.8019 -181.859 75.444 -90.5159 75.4447 -416.728 GPRESSURE: 1500400 105.617 57.4234 -97.7498 -55.8458 -186.544 86.1861 68.0326 -31.5952 -418.225 PRESSAVG: 1500400 34.5233 2.75379 -37.5575 2.7538 27.2098 -7.18518 -37.5575 -7.18515 -16.5408 GPRESSAVG: 1500400 33.1236 4.98527 -36.1026 -0.803638 28.1234 -7.83508 -34.3221 -7.5059 -16.3625 TIMING: 1500400 CPU: 4728, 0.00319/step Wall: 4728, 0.00319/step, 3.10103 hours remaining, 238.667969 MB of memory in use. ENERGY: 1500400 4043.8383 20637.0574 14419.4914 258.4725 -203592.0117 2736.1347 0.0000 0.0000 51766.8002 -109730.2173 297.5045 -161497.0175 -109378.6772 298.8364 -194.7837 -166.3838 760574.3589 15.0641 14.9615 PRESSURE: 1500600 372.697 -169.277 -1.33766 -169.277 22.18 168.918 -1.33752 168.917 243.043 GPRESSURE: 1500600 348.36 -152.688 -34.0408 -157.166 21.3888 127.734 13.1844 127.01 349.29 PRESSAVG: 1500600 27.8971 -57.5633 43.1042 -57.5633 3.0543 -0.4121 43.1042 -0.412218 1.80907 GPRESSAVG: 1500600 28.282 -60.9172 42.2078 -55.1199 1.98714 -0.641205 40.0107 -0.156165 2.41413 TIMING: 1500600 CPU: 4728.63, 0.00313812/step Wall: 4728.63, 0.00313812/step, 3.05042 hours remaining, 238.667969 MB of memory in use. ENERGY: 1500600 3972.5714 20613.5267 14383.5736 245.9122 -203627.0433 2785.0818 0.0000 0.0000 52127.5844 -109498.7931 299.5779 -161626.3776 -109145.2075 299.0003 212.6400 239.6793 760162.8524 10.9202 10.8944 PRESSURE: 1500800 -80.5503 -109.174 -56.4598 -109.174 66.7454 112.658 -56.4595 112.657 73.3113 GPRESSURE: 1500800 -136.157 -35.404 -33.3248 8.96749 198.263 101.086 -38.4679 181.307 83.328 PRESSAVG: 1500800 6.38767 -41.8953 43.3258 -41.8953 -1.20863 23.9279 43.3258 23.9279 19.2553 GPRESSAVG: 1500800 6.34688 -40.7176 42.9561 -40.7744 -1.41662 22.8156 44.1691 22.4889 19.3927 TIMING: 1500800 CPU: 4729.25, 0.00312709/step Wall: 4729.25, 0.00312709/step, 3.03953 hours remaining, 238.667969 MB of memory in use. ENERGY: 1500800 3979.3792 20583.6161 14397.9287 247.6863 -203376.5982 2555.4653 0.0000 0.0000 51992.1606 -109620.3620 298.7997 -161612.5226 -109250.4357 299.3919 19.8355 48.4780 762736.5422 8.1448 8.1076 PRESSURE: 1501000 -306.504 52.0895 148.658 52.0892 38.7745 -166.014 148.658 -166.015 375.382 GPRESSURE: 1501000 -185.994 56.694 121.295 112.884 -32.7782 -90.4811 107.425 -191.345 402.529 PRESSAVG: 1501000 29.1788 -0.512294 52.7273 -0.512332 8.69042 -1.42526 52.7272 -1.4252 15.6297 GPRESSAVG: 1501000 30.2937 -1.03386 52.619 -1.21144 8.48552 1.34465 51.9263 -2.40281 14.7196 TIMING: 1501000 CPU: 4729.88, 0.00314378/step Wall: 4729.88, 0.00314378/step, 3.05558 hours remaining, 238.667969 MB of memory in use. ENERGY: 1501000 3948.2391 20567.9505 14402.0365 223.5797 -203343.5724 2672.0518 0.0000 0.0000 51731.8062 -109797.9086 297.3034 -161529.7148 -109435.0017 298.6228 35.8842 61.2522 763670.9875 17.8330 17.8329 PRESSURE: 1501200 -88.7707 134.778 -34.3998 134.778 -80.7972 -45.7075 -34.4 -45.7087 -121.345 GPRESSURE: 1501200 -99.1552 140.781 -98.4042 29.4962 -97.5645 35.0938 3.97113 34.1968 -5.01866 PRESSAVG: 1501200 42.1838 -5.28712 29.8437 -5.28712 27.6221 -4.84276 29.8437 -4.84277 12.5591 GPRESSAVG: 1501200 41.5532 -5.02974 30.7474 -4.01987 28.303 -7.11389 30.1823 -3.98568 12.2635 TIMING: 1501200 CPU: 4730.51, 0.00313559/step Wall: 4730.51, 0.00313559/step, 3.04745 hours remaining, 238.667969 MB of memory in use. ENERGY: 1501200 3959.3157 20526.4340 14458.1168 243.9257 -203432.0676 2575.7832 0.0000 0.0000 51732.7878 -109935.7044 297.3090 -161668.4923 -109573.3090 298.1250 -96.9710 -67.2461 761651.6425 27.4550 27.3732 PRESSURE: 1501400 -316.224 -172.689 58.4433 -172.69 96.7495 276.398 58.4432 276.398 37.6221 GPRESSURE: 1501400 -296.978 -84.3949 43.252 -170.395 245.481 344.322 -27.2839 210.69 -25.3277 PRESSAVG: 1501400 -0.714743 -8.32173 -1.0527 -8.32173 -6.20993 20.1113 -1.05267 20.1113 6.67997 GPRESSAVG: 1501400 -0.0279942 -8.55987 -1.53484 -9.97252 -6.30869 21.7508 -0.215167 20.8472 6.65677 TIMING: 1501400 CPU: 4731.14, 0.00313757/step Wall: 4731.14, 0.00313757/step, 3.04919 hours remaining, 238.667969 MB of memory in use. ENERGY: 1501400 4095.6169 20384.6762 14439.8466 230.1539 -203366.3594 2646.0055 0.0000 0.0000 51698.4854 -109871.5749 297.1119 -161570.0603 -109514.1029 298.1763 -60.6176 -25.6082 762813.4128 -0.0816 0.1067 PRESSURE: 1501600 318.412 208.878 -30.7012 208.878 -385.229 75.1583 -30.6998 75.1587 -55.2683 GPRESSURE: 1501600 178.056 302.086 -122.673 187.187 -287.57 95.9518 -123.62 15.0847 61.7175 PRESSAVG: 1501600 -29.9993 35.592 -8.92396 35.592 11.0949 -17.1464 -8.92394 -17.1464 -8.61047 GPRESSAVG: 1501600 -30.5335 38.6051 -9.89513 35.3157 10.5517 -17.9951 -10.8609 -19.3284 -7.5659 TIMING: 1501600 CPU: 4731.77, 0.00314508/step Wall: 4731.77, 0.00314508/step, 3.05632 hours remaining, 238.667969 MB of memory in use. ENERGY: 1501600 3995.2397 20354.7813 14471.6197 235.6266 -203695.3767 2704.0505 0.0000 0.0000 52191.5110 -109742.5480 299.9453 -161934.0589 -109374.2456 298.4193 -40.6952 -15.9321 760851.2067 -9.1716 -9.1825 PRESSURE: 1501800 -262.907 211.166 -66.0233 211.165 -268.923 -135.575 -66.0238 -135.576 155.882 GPRESSURE: 1501800 -207.15 207.549 24.2427 122.211 -170.71 -152.356 -80.8517 8.47413 81.9129 PRESSAVG: 1501800 8.63292 16.0652 -28.7082 16.0653 3.58024 -89.6151 -28.7082 -89.615 3.6305 GPRESSAVG: 1501800 8.93725 13.4596 -26.8574 14.605 3.4933 -89.5211 -27.717 -89.4516 3.67881 TIMING: 1501800 CPU: 4732.39, 0.00313393/step Wall: 4732.39, 0.00313393/step, 3.04531 hours remaining, 238.667969 MB of memory in use. ENERGY: 1501800 3990.3201 20442.0889 14359.0169 247.0998 -203437.6639 2389.8337 0.0000 0.0000 52314.6906 -109694.6140 300.6532 -162009.3046 -109313.4536 299.0511 -125.3161 -98.6491 762088.4011 5.2812 5.3698 PRESSURE: 1502000 -305.72 -87.3318 7.7928 -87.3319 -29.8113 -213.627 7.79315 -213.628 38.7259 GPRESSURE: 1502000 -258.341 -88.3019 29.3808 -105.935 3.40265 -265.532 -49.8137 -119.541 40.295 PRESSAVG: 1502000 -5.50617 9.54366 16.4422 9.54365 30.9816 -45.4968 16.4422 -45.4968 2.55213 GPRESSAVG: 1502000 -6.06732 8.24528 17.5803 12.4342 30.8485 -44.4144 16.2005 -43.7676 3.09855 TIMING: 1502000 CPU: 4733.02, 0.0031343/step Wall: 4733.02, 0.0031343/step, 3.04549 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1502000 3997.1617 20699.2849 14363.8538 250.4096 -203195.6766 2272.0420 0.0000 0.0000 52149.0194 -109463.9052 299.7011 -161612.9246 -109100.9477 299.7094 -98.9350 -71.5479 760880.9757 9.3425 9.2932 PRESSURE: 1502200 343.387 116.555 55.7533 116.555 -84.1692 -37.0389 55.7541 -37.0368 -68.047 GPRESSURE: 1502200 392.505 26.5355 49.4124 -49.7866 -93.1317 -30.6282 120.939 84.8283 -28.801 PRESSAVG: 1502200 17.7597 36.0501 -22.4874 36.0501 -8.49453 4.02706 -22.4875 4.02709 18.3949 GPRESSAVG: 1502200 18.3899 37.5328 -22.643 35.327 -8.23233 2.46227 -24.3674 6.25352 17.4754 TIMING: 1502200 CPU: 4733.65, 0.00313979/step Wall: 4733.65, 0.00313979/step, 3.05066 hours remaining, 238.667969 MB of memory in use. ENERGY: 1502200 4092.7724 20503.5145 14474.3519 256.0597 -203949.4537 2850.6038 0.0000 0.0000 52185.8921 -109586.2593 299.9130 -161772.1514 -109225.2346 299.7781 63.7235 90.1908 760445.9082 9.2200 9.2110 PRESSURE: 1502400 -176.356 -58.4797 -99.5063 -58.48 -283.832 96.8745 -99.5057 96.8743 -383.487 GPRESSURE: 1502400 -186.889 -67.7889 -140.764 -111.935 -269.655 238.858 -123.236 14.7554 -307.746 PRESSAVG: 1502400 -32.7116 2.06973 43.1604 2.06972 15.863 4.48781 43.1604 4.48786 9.32543 GPRESSAVG: 1502400 -33.4963 0.526588 43.1229 2.8855 16.148 4.00947 45.2315 2.01646 9.66652 TIMING: 1502400 CPU: 4734.27, 0.00313034/step Wall: 4734.27, 0.00313034/step, 3.0413 hours remaining, 238.667969 MB of memory in use. ENERGY: 1502400 4092.6401 20569.9692 14453.8312 266.6749 -203620.8605 2578.8068 0.0000 0.0000 52106.8152 -109552.1230 299.4586 -161658.9383 -109189.6228 299.0967 -281.2251 -254.7634 760928.3592 -2.5077 -2.5606 PRESSURE: 1502600 103.7 -275.668 30.5925 -275.667 239.711 -56.5878 30.5925 -56.5876 482.168 GPRESSURE: 1502600 239.63 -190.321 70.8562 -187.433 227.929 -66.5055 -83.2233 -36.6674 450.503 PRESSAVG: 1502600 11.8726 -37.97 10.2904 -37.97 4.04608 -55.1458 10.2903 -55.1459 26.8095 GPRESSAVG: 1502600 11.2664 -38.31 8.05598 -35.5595 4.35309 -55.1416 9.64833 -52.7775 27.079 TIMING: 1502600 CPU: 4734.9, 0.00311879/step Wall: 4734.9, 0.00311879/step, 3.02991 hours remaining, 238.667969 MB of memory in use. ENERGY: 1502600 4036.6649 20442.2253 14489.9679 251.5138 -203558.7274 2671.4574 0.0000 0.0000 52131.6915 -109535.2066 299.6015 -161666.8981 -109181.3109 299.2953 275.1928 306.0204 760556.1376 14.2427 14.2328 PRESSURE: 1502800 -45.4243 74.0378 -41.5584 74.0377 85.3654 209.573 -41.5592 209.573 38.8417 GPRESSURE: 1502800 20.5017 -11.0697 36.6737 -13.1586 57.9085 112.957 58.1145 60.8466 59.0668 PRESSAVG: 1502800 41.5688 -82.6332 -4.13436 -82.6333 0.579083 -28.286 -4.13433 -28.286 -13.9994 GPRESSAVG: 1502800 40.5982 -79.2271 -3.77429 -87.3285 1.80672 -28.0308 -4.20986 -32.6671 -14.4688 TIMING: 1502800 CPU: 4735.52, 0.00312474/step Wall: 4735.52, 0.00312474/step, 3.03551 hours remaining, 238.667969 MB of memory in use. ENERGY: 1502800 4067.8149 20690.4329 14454.4246 247.4988 -203668.5622 2580.5349 0.0000 0.0000 52148.4393 -109479.4168 299.6978 -161627.8561 -109131.7249 299.6036 26.2609 45.8256 760208.0615 9.3828 9.3120 PRESSURE: 1503000 -292.134 -39.1476 20.024 -39.1474 176.21 -102.372 20.0244 -102.373 239.192 GPRESSURE: 1503000 -90.4278 -115.731 162.402 14.712 111.711 -115.172 12.4059 -41.7629 198.503 PRESSAVG: 1503000 -47.6122 -43.3863 0.820097 -43.3863 72.7874 -32.0644 0.820073 -32.0643 23.8869 GPRESSAVG: 1503000 -46.1402 -44.0766 0.0409457 -41.9325 71.2075 -32.6277 0.357482 -29.3045 24.052 TIMING: 1503000 CPU: 4736.15, 0.00314563/step Wall: 4736.15, 0.00314564/step, 3.05564 hours remaining, 238.667969 MB of memory in use. ENERGY: 1503000 3995.4169 20500.8206 14468.6999 238.7310 -203909.5135 2979.5748 0.0000 0.0000 52040.8617 -109685.4086 299.0795 -161726.2703 -109322.3732 299.8982 41.0896 73.2620 762448.0642 16.3540 16.3731 PRESSURE: 1503200 -312.827 72.7232 -115.277 72.7225 -329.841 -79.9225 -115.277 -79.922 545.567 GPRESSURE: 1503200 -237.428 45.4978 -103.686 7.86014 -319.696 -154.068 -13.5673 -170.619 563.786 PRESSAVG: 1503200 -27.0284 -8.90236 -32.9562 -8.90236 27.1374 -39.508 -32.9562 -39.508 19.0398 GPRESSAVG: 1503200 -26.9353 -10.4691 -31.6658 -8.35288 27.3575 -38.3236 -33.2633 -40.5123 18.5811 TIMING: 1503200 CPU: 4736.78, 0.00312603/step Wall: 4736.78, 0.00312603/step, 3.03642 hours remaining, 238.667969 MB of memory in use. ENERGY: 1503200 3975.2100 20558.6418 14459.2288 245.9082 -203338.7345 2726.4546 0.0000 0.0000 51771.4493 -109601.8417 297.5312 -161373.2911 -109248.6509 299.2280 -32.3671 2.2205 764169.5051 6.3829 6.3344 PRESSURE: 1503400 314.729 -31.4839 119.408 -31.4834 -141.899 -50.3726 119.409 -50.3728 615.502 GPRESSURE: 1503400 343.42 -24.8101 33.6699 210.288 -64.1404 -2.8054 191.627 -121.052 599.782 PRESSAVG: 1503400 10.5788 6.05785 22.7245 6.0579 -37.1515 -13.2564 22.7245 -13.2565 -13.4629 GPRESSAVG: 1503400 9.93709 6.75081 23.4804 7.31889 -37.3005 -14.1082 21.885 -13.889 -12.6682 TIMING: 1503400 CPU: 4737.4, 0.00313028/step Wall: 4737.4, 0.00313028/step, 3.04037 hours remaining, 238.667969 MB of memory in use. ENERGY: 1503400 4005.8320 20588.4423 14419.8585 250.7924 -203756.2932 2850.5043 0.0000 0.0000 51983.4903 -109657.3734 298.7498 -161640.8637 -109304.6093 299.2880 262.7772 293.0204 761958.9991 -13.3452 -13.3439 PRESSURE: 1503600 -183.215 86.8455 -162.829 86.8455 -295.5 184.694 -162.83 184.694 -158.493 GPRESSURE: 1503600 -169.6 158.788 -204.29 28.5919 -245.854 150.305 -30.2563 177.244 -144.385 PRESSAVG: 1503600 0.66474 -15.2898 41.3967 -15.2898 3.14629 1.73566 41.3967 1.73561 2.2097 GPRESSAVG: 1503600 -0.0250504 -13.8778 42.0292 -17.2913 3.97865 1.12474 42.2022 3.63588 1.72202 TIMING: 1503600 CPU: 4738.03, 0.00314138/step Wall: 4738.03, 0.00314138/step, 3.05098 hours remaining, 238.667969 MB of memory in use. ENERGY: 1503600 3915.6344 20507.7187 14417.6451 251.3730 -203429.2193 2578.2967 0.0000 0.0000 52009.3287 -109749.2228 298.8983 -161758.5515 -109383.8679 298.6693 -212.4029 -186.6129 763650.4542 2.0069 1.8919 PRESSURE: 1503800 -62.2892 71.9227 -25.7357 71.9228 1.41695 -23.8783 -25.7369 -23.8779 496.851 GPRESSURE: 1503800 65.8614 38.504 -79.0919 -45.8884 5.4619 -56.8013 -100.804 -53.0923 457.629 PRESSAVG: 1503800 -6.93419 -6.96798 4.8375 -6.96795 15.8677 -26.6791 4.8375 -26.6792 31.5281 GPRESSAVG: 1503800 -6.0895 -9.83706 3.68945 -5.17834 15.2057 -26.4904 5.74042 -25.4653 30.6514 TIMING: 1503800 CPU: 4738.66, 0.00313021/step Wall: 4738.66, 0.00313021/step, 3.03995 hours remaining, 238.667969 MB of memory in use. ENERGY: 1503800 3935.6368 20428.9572 14463.3162 248.1320 -203463.8837 2681.9394 0.0000 0.0000 52189.9719 -109515.9302 299.9365 -161705.9021 -109146.6983 298.9695 145.3262 176.3174 761978.2383 13.4872 13.2559 PRESSURE: 1504000 47.9158 58.5056 -197.15 58.5059 -200.772 -182.18 -197.148 -182.179 -34.1438 GPRESSURE: 1504000 67.8675 98.7057 -187.176 64.0354 -61.021 -216.571 -223.408 -160.676 -103.354 PRESSAVG: 1504000 17.199 -16.4208 -62.6212 -16.4207 -56.7187 -20.1611 -62.6212 -20.161 -20.6943 GPRESSAVG: 1504000 16.149 -15.3843 -63.6829 -18.2182 -56.4341 -17.5123 -62.5009 -24.2888 -19.4519 TIMING: 1504000 CPU: 4739.29, 0.00313974/step Wall: 4739.29, 0.00313974/step, 3.04904 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1504000 3959.7567 20510.4937 14481.4639 248.7146 -203576.4954 2595.3128 0.0000 0.0000 52124.6948 -109656.0590 299.5613 -161780.7538 -109282.9684 298.8241 -62.3335 -32.1692 762758.0218 -20.0714 -19.9123 PRESSURE: 1504200 98.7035 -85.4843 30.5905 -85.485 212.044 38.1278 30.5908 38.1272 224.414 GPRESSURE: 1504200 181.574 -67.5804 29.0888 50.8032 247.837 -24.6234 -16.7107 135.179 203.579 PRESSAVG: 1504200 20.9943 -7.70722 -73.1996 -7.7072 33.633 -38.7315 -73.1997 -38.7315 -8.77641 GPRESSAVG: 1504200 21.0771 -7.12566 -73.1491 -5.38346 33.5769 -40.1354 -73.9202 -34.7329 -8.36097 TIMING: 1504200 CPU: 4739.91, 0.00313572/step Wall: 4739.91, 0.00313572/step, 3.04495 hours remaining, 238.667969 MB of memory in use. ENERGY: 1504200 3944.7476 20472.4520 14485.0274 237.8822 -203803.7160 2932.3886 0.0000 0.0000 51975.6911 -109755.5272 298.7050 -161731.2182 -109404.6658 299.3726 178.3872 210.9966 762169.6074 15.2836 15.4310 LDB: ============= START OF LOAD BALANCING ============== 4752.31 LDB: ============== END OF LOAD BALANCING =============== 4752.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4752.31 LDB: ============= START OF LOAD BALANCING ============== 4752.62 LDB: Largest compute 7068 load 0.033285 is 17.0% of average load 0.195927 LDB: Average compute 0.004356 is 2.2% of average load 0.195927 LDB: TIME 4752.63 LOAD: AVG 0.195927 MAX 0.21591 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 4752.63 LOAD: AVG 0.195927 MAX 0.21591 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 4752.63 LOAD: AVG 0.195927 MAX 0.21591 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 4752.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4752.63 PRESSURE: 1504400 -222.883 11.6232 -22.5661 11.624 -81.409 321.896 -22.5666 321.896 -98.9482 GPRESSURE: 1504400 -123.247 98.0667 26.4592 -13.9285 -64.3076 267.701 -35.0506 211.871 -131.49 PRESSAVG: 1504400 3.48471 -32.9386 -5.76527 -32.9386 -47.6224 26.7327 -5.7653 26.7327 22.5845 GPRESSAVG: 1504400 5.6707 -31.7643 -5.08767 -34.0208 -47.7297 25.2354 -5.33798 23.6131 20.448 TIMING: 1504400 CPU: 4740.55, 0.00318604/step Wall: 4740.55, 0.00318604/step, 3.09364 hours remaining, 237.636719 MB of memory in use. ENERGY: 1504400 4003.9390 20553.7285 14536.1463 264.5159 -203399.0753 2456.9343 0.0000 0.0000 51870.7141 -109713.0972 298.1017 -161583.8113 -109344.5298 299.0219 -134.4133 -106.3484 761755.8914 -7.1844 -7.2037 PRESSURE: 1504600 -133.896 65.1468 -96.4227 65.1458 -43.1055 99.3266 -96.4224 99.3268 156.994 GPRESSURE: 1504600 -54.1195 -36.3642 -55.3527 -51.7411 -124.918 35.0071 -125.159 -3.65029 235.624 PRESSAVG: 1504600 -35.6905 -44.6391 -66.9284 -44.6391 15.0931 -6.03045 -66.9283 -6.03037 -11.945 GPRESSAVG: 1504600 -37.3394 -45.8273 -67.4318 -45.9487 15.403 -5.99893 -68.3733 -5.84907 -10.847 TIMING: 1504600 CPU: 4741.18, 0.0031414/step Wall: 4741.18, 0.0031414/step, 3.05012 hours remaining, 237.636719 MB of memory in use. ENERGY: 1504600 4039.0245 20656.2007 14513.4677 248.5059 -203176.8297 2331.5041 0.0000 0.0000 52021.6568 -109366.4700 298.9692 -161388.1268 -109014.5891 298.6978 -6.6691 18.8621 762877.6035 -10.8475 -10.9278 PRESSURE: 1504800 -196.838 -35.2785 262.139 -35.2778 -116.304 -197.437 262.139 -197.436 -344.68 GPRESSURE: 1504800 -249.432 -199.963 295.285 32.2003 -5.37439 -224.332 88.9233 -105.549 -309.819 PRESSAVG: 1504800 42.2583 -8.96714 -40.457 -8.96716 13.7468 0.795435 -40.457 0.795422 9.89624 GPRESSAVG: 1504800 41.9263 -8.6983 -39.6652 -7.60039 14.2969 1.13474 -38.95 3.20265 10.3023 TIMING: 1504800 CPU: 4741.81, 0.00313545/step Wall: 4741.81, 0.00313545/step, 3.04418 hours remaining, 237.636719 MB of memory in use. ENERGY: 1504800 3963.3374 20322.0663 14511.6140 232.8333 -203193.1473 2408.4276 0.0000 0.0000 52256.4037 -109498.4650 300.3183 -161754.8687 -109125.1245 299.7962 -219.2742 -188.2085 761172.7372 21.9671 22.1751 PRESSURE: 1505000 -2.3123 -165.402 -96.6699 -165.403 53.1523 248.548 -96.6704 248.548 -96.2539 GPRESSURE: 1505000 -1.27552 -201.366 -178.904 -13.9288 97.8931 316.768 -100.934 172.443 -77.4634 PRESSAVG: 1505000 -32.2145 -14.5382 20.1152 -14.5382 89.0272 -27.3028 20.1152 -27.3028 -6.07101 GPRESSAVG: 1505000 -32.5725 -15.2164 19.1185 -14.5666 88.3663 -25.8089 18.8109 -29.2739 -5.49167 TIMING: 1505000 CPU: 4742.44, 0.00315212/step Wall: 4742.44, 0.00315212/step, 3.06018 hours remaining, 237.636719 MB of memory in use. ENERGY: 1505000 3946.4229 20705.4915 14543.4763 221.8492 -203559.5077 2671.9109 0.0000 0.0000 52155.6073 -109314.7496 299.7390 -161470.3569 -108967.3631 299.7989 -15.1379 6.3847 760826.2842 16.9139 16.7674 PRESSURE: 1505200 -22.1032 275.566 47.0758 275.566 -8.1974 -145.418 47.077 -145.418 -245.587 GPRESSURE: 1505200 7.50196 243.053 -25.1298 328.736 5.32352 -156.179 163.047 -105.758 -202.868 PRESSAVG: 1505200 27.0248 -37.8524 -30.8752 -37.8523 -40.7944 36.0842 -30.8752 36.0843 18.6847 GPRESSAVG: 1505200 27.8416 -36.3693 -32.1982 -38.1306 -40.0632 36.0844 -30.4024 34.6927 17.444 TIMING: 1505200 CPU: 4743.06, 0.00313177/step Wall: 4743.06, 0.00313177/step, 3.04026 hours remaining, 237.636719 MB of memory in use. ENERGY: 1505200 4015.9139 20606.7468 14498.2003 240.9806 -203399.2354 2762.3171 0.0000 0.0000 52234.7163 -109040.3603 300.1936 -161275.0766 -108680.4647 300.1559 -91.9624 -63.3476 762480.1149 1.6383 1.7408 PRESSURE: 1505400 -283.031 -61.548 69.0401 -61.5479 257.53 153.498 69.0402 153.498 -151.598 GPRESSURE: 1505400 -262.029 -148.567 27.9703 38.0887 240.644 156.258 137.391 157.463 -85.725 PRESSAVG: 1505400 -20.4139 15.0567 -8.43371 15.0566 13.9905 10.5829 -8.43379 10.583 -0.00666517 GPRESSAVG: 1505400 -18.8173 12.6808 -7.58104 15.356 13.756 10.4826 -8.08517 11.8018 -0.656135 TIMING: 1505400 CPU: 4743.69, 0.00313627/step Wall: 4743.69, 0.00313627/step, 3.04445 hours remaining, 237.636719 MB of memory in use. ENERGY: 1505400 4001.8311 20713.1871 14524.1010 251.2115 -203416.1079 2648.1224 0.0000 0.0000 52288.0771 -108989.5777 300.5003 -161277.6548 -108626.4370 300.3853 -59.0331 -35.7033 763221.3296 -2.1434 -1.9058 PRESSURE: 1505600 355.114 121.849 -53.5898 121.849 1.72245 -119.907 -53.59 -119.908 26.6956 GPRESSURE: 1505600 250.468 33.8155 -66.4607 127.554 173.479 -174.424 1.29661 -90.5843 25.2789 PRESSAVG: 1505600 -53.1152 -17.4235 38.8212 -17.4235 0.135305 -19.3159 38.8212 -19.316 1.98359 GPRESSAVG: 1505600 -55.7835 -14.7307 38.8326 -17.7748 1.6169 -21.0566 41.6214 -18.5993 3.61676 TIMING: 1505600 CPU: 4744.32, 0.0031307/step Wall: 4744.32, 0.0031307/step, 3.03887 hours remaining, 237.636719 MB of memory in use. ENERGY: 1505600 3921.7486 20674.5213 14534.0014 233.6102 -203905.6260 2999.9256 0.0000 0.0000 52310.6629 -109231.1559 300.6301 -161541.8188 -108859.1773 300.6774 127.8439 149.7418 760838.3091 -16.9988 -16.8499 PRESSURE: 1505800 109.159 107.248 -66.0085 107.247 208.65 -225.18 -66.0077 -225.18 364.151 GPRESSURE: 1505800 152.422 78.9105 12.0094 83.0709 236.702 -215.437 -160.355 -180.152 403.507 PRESSAVG: 1505800 20.3328 -80.4685 -5.44016 -80.4686 28.9358 -7.45241 -5.44015 -7.45234 12.1783 GPRESSAVG: 1505800 21.6733 -81.0256 -5.0699 -80.5071 27.5764 -5.83066 -7.8474 -7.90801 12.6774 TIMING: 1505800 CPU: 4744.94, 0.00312121/step Wall: 4744.94, 0.00312121/step, 3.02948 hours remaining, 237.636719 MB of memory in use. ENERGY: 1505800 3972.4014 20606.4035 14533.3999 234.8349 -203592.9884 2689.5762 0.0000 0.0000 52094.3870 -109461.9854 299.3872 -161556.3725 -109106.6446 299.4761 227.3201 264.2104 760931.9389 20.4823 20.6423 PRESSURE: 1506000 -240.46 -14.7916 -259.172 -14.792 3.392 -6.93783 -259.172 -6.9373 82.1445 GPRESSURE: 1506000 -185.943 52.7033 -289.208 -19.2085 88.3832 31.693 -360.009 -41.6485 47.1683 PRESSAVG: 1506000 22.0307 -43.9153 -9.25123 -43.9154 -14.1742 -20.2405 -9.25128 -20.2404 -23.5068 GPRESSAVG: 1506000 21.3696 -44.954 -9.11138 -44.5569 -13.6847 -19.946 -9.59525 -19.941 -23.9276 TIMING: 1506000 CPU: 4745.56, 0.00312593/step Wall: 4745.56, 0.00312593/step, 3.03388 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1506000 4003.7271 20553.1315 14536.0796 250.0675 -203705.5223 2768.6286 0.0000 0.0000 52264.1579 -109329.7302 300.3628 -161593.8880 -108963.1526 299.7198 -51.6411 -16.7973 760661.3747 -5.2168 -5.4142 PRESSURE: 1506200 138.563 142.816 37.3283 142.817 511.066 188.684 37.3277 188.685 122.012 GPRESSURE: 1506200 157.805 117.744 50.4373 108.945 484.483 167.13 38.7278 93.332 225.455 PRESSAVG: 1506200 -37.0765 -39.2552 -22.7631 -39.2552 30.9544 15.903 -22.7631 15.903 14.3236 GPRESSAVG: 1506200 -36.0642 -38.6464 -23.5895 -37.8765 30.1222 15.7021 -22.7073 13.5995 14.3721 TIMING: 1506200 CPU: 4746.19, 0.00311765/step Wall: 4746.19, 0.00311764/step, 3.02567 hours remaining, 237.636719 MB of memory in use. ENERGY: 1506200 4007.6884 20454.5757 14499.3689 239.1056 -203807.1472 2936.0246 0.0000 0.0000 52352.5143 -109317.8697 300.8706 -161670.3840 -108954.9075 299.7849 257.2137 289.2480 757873.9532 2.7338 2.8100 PRESSURE: 1506400 -88.5387 -46.7201 143.63 -46.7204 -121.527 92.3677 143.63 92.3694 -454.285 GPRESSURE: 1506400 -17.1455 -74.3805 207.559 -52.5549 -142.622 14.1825 -13.4841 215.7 -425.15 PRESSAVG: 1506400 -17.9772 20.3888 -1.37091 20.3888 -4.20246 -14.9884 -1.37085 -14.9885 1.30564 GPRESSAVG: 1506400 -18.621 21.022 -1.73199 20.4387 -3.44729 -15.3992 -0.158429 -14.4004 1.44386 TIMING: 1506400 CPU: 4746.81, 0.00313228/step Wall: 4746.81, 0.00313228/step, 3.03971 hours remaining, 237.636719 MB of memory in use. ENERGY: 1506400 4065.7009 20427.9884 14550.4790 258.0727 -203225.7382 2321.5020 0.0000 0.0000 52258.8961 -109343.0991 300.3326 -161601.9952 -108985.4813 299.7999 -221.4501 -194.9726 759888.8546 -6.9580 -6.8748 PRESSURE: 1506600 138.077 117.208 -118.947 117.207 231.67 160.279 -118.948 160.279 114.178 GPRESSURE: 1506600 222.503 -42.7405 -160.077 110.818 177.665 168.957 -195.32 149.168 177.645 PRESSAVG: 1506600 18.1856 26.3277 -17.1121 26.3277 12.12 22.6296 -17.112 22.6295 -20.926 GPRESSAVG: 1506600 18.5734 25.3059 -16.8203 23.7609 11.7491 24.3957 -16.2048 21.7046 -21.4235 TIMING: 1506600 CPU: 4747.44, 0.00313187/step Wall: 4747.44, 0.00313187/step, 3.03914 hours remaining, 237.636719 MB of memory in use. ENERGY: 1506600 4010.7962 20423.0796 14404.0291 261.0403 -203721.3585 2852.7642 0.0000 0.0000 52425.5102 -109344.1388 301.2901 -161769.6490 -108982.8219 299.6658 161.3082 192.6042 760584.2623 3.1265 2.9663 PRESSURE: 1506800 107.413 12.1638 -154.47 12.1642 28.8924 84.3283 -154.47 84.3277 115.147 GPRESSURE: 1506800 86.336 -5.21331 -90.5834 -3.16329 171.631 9.82275 -158.892 100.445 73.9803 PRESSAVG: 1506800 53.1295 2.40479 -12.2303 2.40477 -75.1221 44.9462 -12.2304 44.9461 9.27972 GPRESSAVG: 1506800 52.977 3.39708 -11.065 3.2206 -74.4192 44.8369 -14.8788 45.6075 8.69813 TIMING: 1506800 CPU: 4748.07, 0.00312699/step Wall: 4748.07, 0.00312698/step, 3.03422 hours remaining, 237.636719 MB of memory in use. ENERGY: 1506800 4005.4257 20528.5395 14405.1840 249.7529 -203342.5620 2654.9219 0.0000 0.0000 52165.6819 -109333.0561 299.7969 -161498.7380 -108960.5527 299.6526 83.8173 110.6492 761593.3019 -4.2376 -4.2480 PRESSURE: 1507000 52.7621 -106.325 -106.354 -106.324 82.5343 95.4683 -106.354 95.4691 88.656 GPRESSURE: 1507000 128.712 -55.1265 -153.403 -140.912 142.634 82.8613 -48.6032 101.831 40.2744 PRESSAVG: 1507000 50.423 -41.013 16.9548 -41.0131 -33.0079 7.06672 16.9548 7.0668 -17.3154 GPRESSAVG: 1507000 51.8676 -41.1479 15.0274 -41.6748 -33.7603 6.49274 18.3559 6.78249 -18.0277 TIMING: 1507000 CPU: 4748.69, 0.00313431/step Wall: 4748.69, 0.00313431/step, 3.04116 hours remaining, 237.636719 MB of memory in use. ENERGY: 1507000 3991.4992 20607.3395 14391.5550 247.2549 -203238.7615 2394.9514 0.0000 0.0000 52203.8479 -109402.3135 300.0162 -161606.1614 -109037.7383 299.4087 74.6508 103.8735 761160.7356 0.0332 0.0265 PRESSURE: 1507200 -386.941 -113.938 8.99093 -113.939 -105.605 81.1143 8.99098 81.114 -116.214 GPRESSURE: 1507200 -248.984 -162.654 -69.5129 -124.291 -117.586 80.2916 114.713 184.901 -147.612 PRESSAVG: 1507200 73.1092 7.74362 -42.5772 7.74359 -66.3103 35.485 -42.5773 35.485 1.61009 GPRESSAVG: 1507200 72.7951 6.56625 -41.5661 10.2548 -65.9966 36.024 -42.9962 37.2374 2.00759 TIMING: 1507200 CPU: 4749.32, 0.00313247/step Wall: 4749.32, 0.00313247/step, 3.03919 hours remaining, 237.636719 MB of memory in use. ENERGY: 1507200 4027.5439 20575.5028 14435.0921 255.0747 -203317.4459 2510.6122 0.0000 0.0000 51971.2913 -109542.3288 298.6797 -161513.6201 -109164.2952 299.4960 -202.9200 -171.3939 760169.5916 2.8030 2.9354 PRESSURE: 1507400 -158.918 105.308 15.6619 105.308 314.214 -78.4895 15.6618 -78.4901 80.0743 GPRESSURE: 1507400 1.1469 -11.9138 20.7672 178.047 267.757 -135.999 7.58223 70.1743 58.2199 PRESSAVG: 1507400 23.0694 11.8829 -3.70998 11.8829 29.8583 27.0991 -3.70992 27.0991 -11.4092 GPRESSAVG: 1507400 23.4201 10.7904 -4.40467 12.095 29.9095 25.6883 -2.84184 28.0573 -10.9886 TIMING: 1507400 CPU: 4749.95, 0.00313225/step Wall: 4749.95, 0.00313225/step, 3.0388 hours remaining, 237.636719 MB of memory in use. ENERGY: 1507400 4010.5539 20425.4010 14359.4349 258.6480 -203412.1768 2655.9313 0.0000 0.0000 52191.5251 -109510.6826 299.9454 -161702.2077 -109142.1988 299.1975 78.4568 109.0414 760821.2977 13.8395 14.1137 PRESSURE: 1507600 200.25 -174.87 -129.68 -174.87 -55.7712 -69.303 -129.68 -69.3013 -2.62576 GPRESSURE: 1507600 184.246 -142.935 -169.268 -74.0196 76.1829 -128.203 -91.2468 -3.1334 -25.5704 PRESSAVG: 1507600 18.7904 -26.7916 -19.6422 -26.7916 -20.5485 23.1042 -19.6423 23.1042 3.17372 GPRESSAVG: 1507600 19.1361 -25.395 -18.7583 -27.0073 -20.0801 23.7688 -20.7591 21.6146 2.36629 TIMING: 1507600 CPU: 4750.57, 0.00314291/step Wall: 4750.57, 0.00314291/step, 3.04897 hours remaining, 237.636719 MB of memory in use. ENERGY: 1507600 3992.1801 20563.0651 14441.1455 240.5758 -203275.6083 2460.6290 0.0000 0.0000 52146.1315 -109431.8815 299.6845 -161578.0130 -109072.2541 299.4312 47.2842 78.2863 761131.7157 0.4719 0.4741 PRESSURE: 1507800 117.75 -72.4758 -9.45012 -72.476 -6.63961 -120.525 -9.45067 -120.525 226.286 GPRESSURE: 1507800 241.219 96.3891 -60.201 -3.51776 -62.3121 -66.8839 51.0395 -80.2759 236.929 PRESSAVG: 1507800 -2.71855 -26.6044 -21.3654 -26.6044 14.2985 -2.76016 -21.3654 -2.76011 0.985603 GPRESSAVG: 1507800 -3.99202 -22.8211 -21.8328 -27.7582 13.6363 -1.30756 -22.0629 -5.70195 3.06876 TIMING: 1507800 CPU: 4751.2, 0.00313974/step Wall: 4751.2, 0.00313974/step, 3.04572 hours remaining, 237.636719 MB of memory in use. ENERGY: 1507800 3989.3652 20665.4325 14428.1914 239.2303 -203490.1949 2677.6692 0.0000 0.0000 52071.4492 -109418.8571 299.2553 -161490.3063 -109046.6864 299.7603 112.4655 138.6120 761909.5018 4.1885 4.2377 PRESSURE: 1508000 -99.9991 33.5655 176.669 33.5665 -147.427 -48.5178 176.669 -48.5169 138.456 GPRESSURE: 1508000 -74.5879 147.316 38.1369 30.0772 -106.216 -141.452 141.783 -103.872 147.099 PRESSAVG: 1508000 -12.1916 6.41117 9.56809 6.41114 46.4747 -47.6905 9.5681 -47.6905 -5.19288 GPRESSAVG: 1508000 -11.3845 2.90824 8.21475 7.21935 45.5215 -46.8476 11.4166 -47.1389 -4.71893 TIMING: 1508000 CPU: 4751.83, 0.00313879/step Wall: 4751.83, 0.00313879/step, 3.04462 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1508000 3947.3055 20536.3175 14414.4002 280.3763 -202894.4413 2334.8181 0.0000 0.0000 52009.1301 -109372.0935 298.8972 -161381.2236 -109005.6981 299.9998 -36.3233 -11.2349 761650.4669 9.6968 9.8060 PRESSURE: 1508200 -98.0889 -236.256 -94.2697 -236.256 -14.1942 98.7705 -94.27 98.7704 -110.324 GPRESSURE: 1508200 -46.4776 -225.159 -105.789 -202.994 18.0748 89.7872 -80.0083 179.079 -124.173 PRESSAVG: 1508200 -0.0761741 -12.8701 -22.9174 -12.8701 -12.3934 -20.3103 -22.9174 -20.3102 14.2017 GPRESSAVG: 1508200 0.129358 -12.929 -22.548 -10.6502 -11.6798 -20.81 -21.8713 -19.7262 13.4659 TIMING: 1508200 CPU: 4752.46, 0.00315245/step Wall: 4752.46, 0.00315245/step, 3.0577 hours remaining, 237.636719 MB of memory in use. ENERGY: 1508200 3961.7740 20483.5798 14451.6278 247.6223 -203250.2928 2456.2763 0.0000 0.0000 52210.6992 -109438.7134 300.0556 -161649.4126 -109081.1159 299.9396 -74.2023 -50.8584 761145.1238 0.5774 0.6385 LDB: ============= START OF LOAD BALANCING ============== 4764.86 LDB: ============== END OF LOAD BALANCING =============== 4764.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4764.86 LDB: ============= START OF LOAD BALANCING ============== 4765.18 LDB: Largest compute 7068 load 0.032438 is 16.6% of average load 0.195935 LDB: Average compute 0.004368 is 2.2% of average load 0.195935 LDB: TIME 4765.18 LOAD: AVG 0.195935 MAX 0.218826 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 4765.18 LOAD: AVG 0.195935 MAX 0.218826 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: TIME 4765.18 LOAD: AVG 0.195935 MAX 0.218376 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: ============== END OF LOAD BALANCING =============== 4765.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4765.19 PRESSURE: 1508400 62.9568 -148.742 -146.01 -148.742 -106.359 183.976 -146.009 183.977 561.165 GPRESSURE: 1508400 84.8226 -65.5193 -173.693 -179.664 -62.5108 121.327 -83.0094 94.3881 589.942 PRESSAVG: 1508400 1.52052 -17.7564 46.8695 -17.7565 -49.6886 -53.2772 46.8695 -53.2772 25.3676 GPRESSAVG: 1508400 1.17108 -16.5278 48.0542 -21.035 -49.625 -54.5791 44.8213 -51.1805 25.7229 TIMING: 1508400 CPU: 4753.1, 0.00321542/step Wall: 4753.1, 0.00321542/step, 3.1186 hours remaining, 238.410156 MB of memory in use. ENERGY: 1508400 3900.5354 20570.2179 14393.8052 237.0011 -202891.8183 2507.4055 0.0000 0.0000 52019.8472 -109263.0059 298.9588 -161282.8531 -108899.1920 299.6305 172.5877 204.0846 761399.8681 -7.6002 -7.5770 PRESSURE: 1508600 335.891 51.6666 134.75 51.6668 -1.21789 46.5823 134.749 46.5826 -60.8282 GPRESSURE: 1508600 364.266 101.555 180.918 -1.2865 93.4054 128.299 135.541 -6.49246 -91.1511 PRESSAVG: 1508600 42.0469 32.7245 15.1645 32.7245 -19.1831 26.8093 15.1645 26.8094 -6.58149 GPRESSAVG: 1508600 41.6947 32.4076 14.8271 32.4129 -18.9309 27.3874 15.9619 26.3327 -6.02428 TIMING: 1508600 CPU: 4753.73, 0.00313449/step Wall: 4753.73, 0.00313449/step, 3.03994 hours remaining, 238.410156 MB of memory in use. ENERGY: 1508600 3919.9821 20338.3427 14458.5043 240.6681 -203371.4437 2658.0488 0.0000 0.0000 52313.1906 -109442.7069 300.6446 -161755.8975 -109077.3107 299.6405 91.2816 122.1734 760562.9094 5.4274 5.5798 PRESSURE: 1508800 -404.599 33.3684 109.775 33.3687 -303.007 203.134 109.775 203.134 -210.924 GPRESSURE: 1508800 -397.816 -23.0133 176.419 19.7647 -291.587 108.25 -1.71797 255.634 -114.517 PRESSAVG: 1508800 -24.0965 31.1853 -31.0592 31.1853 -38.5553 -18.4902 -31.0593 -18.4901 0.755668 GPRESSAVG: 1508800 -24.477 30.5677 -32.1723 32.9247 -38.0415 -19.0761 -30.926 -17.6822 1.18277 TIMING: 1508800 CPU: 4754.36, 0.00313706/step Wall: 4754.36, 0.00313706/step, 3.04225 hours remaining, 238.410156 MB of memory in use. ENERGY: 1508800 3991.8315 20539.6721 14411.8011 241.2858 -202674.7184 2321.5096 0.0000 0.0000 51887.6285 -109280.9898 298.1989 -161168.6183 -108918.0389 299.2515 -306.1766 -267.9735 763441.6228 -20.6320 -20.4453 PRESSURE: 1509000 -292.43 27.4159 155.085 27.4165 -334.761 -205.649 155.085 -205.648 -246.913 GPRESSURE: 1509000 -198.554 108.881 156.832 -77.7239 -244.063 -232.785 88.4001 23.5056 -351.504 PRESSAVG: 1509000 -6.90588 42.3517 40.6641 42.3517 19.6697 -10.6028 40.6642 -10.6029 2.81217 GPRESSAVG: 1509000 -6.10148 44.0345 42.1439 41.66 19.8147 -10.6615 36.7288 -9.95559 1.94605 TIMING: 1509000 CPU: 4754.98, 0.00312598/step Wall: 4754.98, 0.00312598/step, 3.03133 hours remaining, 238.410156 MB of memory in use. ENERGY: 1509000 3915.2731 20478.5555 14359.7034 261.7649 -203020.4344 2368.6306 0.0000 0.0000 52152.7089 -109483.7981 299.7223 -161636.5070 -109118.9382 299.2837 -291.3680 -264.7069 763306.1704 5.1920 5.2198 PRESSURE: 1509200 -79.6424 83.0856 -244.952 83.0845 167.359 97.3611 -244.952 97.3611 -71.142 GPRESSURE: 1509200 25.5151 49.2095 -128.36 198.137 113.941 117.172 -262.119 110.872 -46.089 PRESSAVG: 1509200 -58.9024 20.569 58.7377 20.569 45.6099 -15.2999 58.7377 -15.3 -16.8183 GPRESSAVG: 1509200 -58.0034 17.7239 57.5432 19.7335 45.4545 -15.9565 63.2562 -15.1663 -17.8065 TIMING: 1509200 CPU: 4755.61, 0.00313258/step Wall: 4755.61, 0.00313258/step, 3.03756 hours remaining, 238.410156 MB of memory in use. ENERGY: 1509200 3999.9228 20489.2695 14504.9447 239.3089 -203327.9770 2518.5843 0.0000 0.0000 52066.2397 -109509.7072 299.2254 -161575.9469 -109142.4375 299.2110 5.5250 31.1222 761880.5972 -10.0370 -10.1185 PRESSURE: 1509400 52.56 422.711 -61.1929 422.71 -56.695 61.8609 -61.1933 61.8603 144.436 GPRESSURE: 1509400 87.4674 359.637 3.70336 332.09 -9.64317 40.23 -32.8687 32.5623 150.081 PRESSAVG: 1509400 8.18505 31.3486 8.29586 31.3486 -24.3641 -24.5255 8.29589 -24.5255 17.9888 GPRESSAVG: 1509400 8.20423 34.0751 8.33807 33.9438 -24.796 -22.2055 6.95882 -25.4935 18.7015 TIMING: 1509400 CPU: 4756.24, 0.00313822/step Wall: 4756.24, 0.00313822/step, 3.04285 hours remaining, 238.410156 MB of memory in use. ENERGY: 1509400 3951.6642 20555.2256 14505.6007 253.0046 -202822.7067 2308.9830 0.0000 0.0000 51799.9519 -109448.2767 297.6950 -161248.2287 -109094.2659 299.5347 46.7670 75.9686 760832.6741 0.6032 0.7033 PRESSURE: 1509600 -122.847 195.698 41.3771 195.698 16.2761 89.4627 41.3778 89.4616 -15.9901 GPRESSURE: 1509600 -48.4901 116.042 128.328 144.974 -1.1611 27.4563 161.101 8.85724 11.5913 PRESSAVG: 1509600 -29.4118 59.1585 17.3755 59.1585 33.9619 -35.5946 17.3755 -35.5945 2.4233 GPRESSAVG: 1509600 -28.0144 56.8841 18.5793 61.0237 33.6685 -36.6343 16.8662 -38.6307 1.73915 TIMING: 1509600 CPU: 4756.86, 0.00313474/step Wall: 4756.86, 0.00313474/step, 3.0393 hours remaining, 238.410156 MB of memory in use. ENERGY: 1509600 4017.4143 20538.6131 14467.2621 252.6566 -203198.2747 2527.9190 0.0000 0.0000 52341.7459 -109052.6636 300.8087 -161394.4095 -108685.1364 299.9778 -40.8536 -12.6866 762328.8782 2.3245 2.4644 PRESSURE: 1509800 -150.797 290.894 252.422 290.895 -154.952 -135.07 252.422 -135.069 88.3783 GPRESSURE: 1509800 -112.622 168.242 205.408 429.876 -96.6837 -183.041 250.384 -0.638095 81.0258 PRESSAVG: 1509800 41.5889 81.0139 58.7712 81.0139 -7.13761 16.9209 58.7712 16.921 0.582237 GPRESSAVG: 1509800 40.2634 81.2108 56.0534 79.7518 -6.48819 16.9899 57.5031 19.9884 1.50948 TIMING: 1509800 CPU: 4757.49, 0.00312093/step Wall: 4757.49, 0.00312094/step, 3.02575 hours remaining, 238.410156 MB of memory in use. ENERGY: 1509800 3951.0629 20491.9591 14501.4307 251.7674 -203410.8195 2474.6731 0.0000 0.0000 52459.3093 -109280.6169 301.4844 -161739.9262 -108914.1056 300.3625 -72.4571 -42.7601 761572.9752 11.6779 11.7616 PRESSURE: 1510000 68.7072 -55.8744 -262.959 -55.8739 -81.6615 -6.91825 -262.958 -6.91782 73.5747 GPRESSURE: 1510000 132.051 31.0583 -256.371 -87.5997 -71.0925 -74.0149 -299.251 44.1177 85.0985 PRESSAVG: 1510000 -19.0609 39.493 2.89185 39.493 -23.3004 9.87178 2.89186 9.87174 16.469 GPRESSAVG: 1510000 -18.043 39.5625 5.13318 38.6446 -22.2572 9.4664 3.60244 10.2889 15.1206 TIMING: 1510000 CPU: 4758.11, 0.00312853/step Wall: 4758.11, 0.00312853/step, 3.03293 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1510000 3991.8891 20370.5391 14502.0574 236.5296 -203408.7695 2590.3515 0.0000 0.0000 52359.1121 -109358.2908 300.9085 -161717.4029 -108999.5228 299.9009 20.2068 48.6857 760916.3789 -8.6308 -8.3932 PRESSURE: 1510200 -145.631 8.12162 80.5479 8.12182 -82.496 147.579 80.5477 147.578 25.0372 GPRESSURE: 1510200 -181.168 -118.779 -47.3183 30.0483 -1.44138 234.338 68.676 226.872 64.3256 PRESSAVG: 1510200 33.4018 16.7158 20.6583 16.7158 -52.6864 11.4814 20.6583 11.4814 8.64602 GPRESSAVG: 1510200 32.959 17.6426 21.1411 18.4455 -52.5815 11.9363 20.0383 10.4432 8.89895 TIMING: 1510200 CPU: 4758.74, 0.00311687/step Wall: 4758.74, 0.00311687/step, 3.02146 hours remaining, 238.410156 MB of memory in use. ENERGY: 1510200 4017.0054 20574.8630 14451.1088 245.9123 -202675.4088 2132.3984 0.0000 0.0000 51890.9993 -109363.1217 298.2183 -161254.1209 -109003.7595 299.1027 -67.6966 -39.4280 760862.4380 -3.5462 -3.5745 PRESSURE: 1510400 -525.568 25.7671 85.8167 25.7668 -185.174 -60.3836 85.8172 -60.3836 -392.129 GPRESSURE: 1510400 -456.236 -123.701 46.8666 -15.5093 -164.854 -18.7787 26.2862 -82.047 -412.804 PRESSAVG: 1510400 -18.9581 -28.0093 58.222 -28.0093 34.4497 9.50494 58.2219 9.505 5.20793 GPRESSAVG: 1510400 -19.1902 -28.9261 56.8467 -29.7274 33.9114 9.14229 57.4297 9.50609 5.96482 TIMING: 1510400 CPU: 4759.36, 0.00312617/step Wall: 4759.36, 0.00312617/step, 3.0303 hours remaining, 238.410156 MB of memory in use. ENERGY: 1510400 3995.6797 20418.9191 14419.6720 246.8921 -203179.9962 2431.9768 0.0000 0.0000 52166.4466 -109500.4098 299.8013 -161666.8565 -109130.8456 299.3838 -367.6238 -344.6312 762474.4114 6.8998 6.8954 PRESSURE: 1510600 448.109 -45.0705 194.551 -45.0704 394.05 21.6167 194.551 21.6176 -62.8209 GPRESSURE: 1510600 438.603 -67.3311 235.135 -76.4786 487.659 -2.00149 140.026 94.6406 -72.7902 PRESSAVG: 1510600 -3.40275 8.56161 52.2548 8.56164 -13.4295 18.7719 52.2548 18.772 6.3946 GPRESSAVG: 1510600 -2.39338 9.265 52.4372 9.14642 -13.188 19.5114 54.0604 19.3372 5.38392 TIMING: 1510600 CPU: 4759.99, 0.00312853/step Wall: 4759.99, 0.00312853/step, 3.03242 hours remaining, 238.410156 MB of memory in use. ENERGY: 1510600 4015.3593 20573.3012 14474.3108 248.8744 -203495.9048 2655.0335 0.0000 0.0000 52130.1689 -109398.8567 299.5928 -161529.0256 -109052.5927 299.7091 259.7794 284.4905 761172.8661 -3.4792 -3.3992 PRESSURE: 1510800 -257.853 130.475 65.7583 130.474 -120.752 56.5427 65.758 56.5429 366.571 GPRESSURE: 1510800 -252.699 155.413 20.7797 115.326 -117.694 -11.2205 83.4845 66.62 434.942 PRESSAVG: 1510800 -19.4363 -12.9629 26.79 -12.9629 2.64161 37.322 26.79 37.3221 4.82157 GPRESSAVG: 1510800 -20.9119 -12.5637 26.4298 -14.3151 2.89343 36.9702 26.1246 36.4103 5.55014 TIMING: 1510800 CPU: 4760.61, 0.00311968/step Wall: 4760.61, 0.00311968/step, 3.02367 hours remaining, 238.410156 MB of memory in use. ENERGY: 1510800 3977.4411 20493.0580 14464.6765 259.7634 -202894.3331 2196.7526 0.0000 0.0000 52095.3950 -109407.2464 299.3930 -161502.6414 -109041.9414 299.3730 -4.0114 21.5162 762297.0202 -3.9910 -4.1561 PRESSURE: 1511000 169.72 -162.839 262.921 -162.839 247.671 -19.3262 262.921 -19.3262 270.749 GPRESSURE: 1511000 219.555 -205.164 172.403 -210.36 207.731 -29.1209 160.711 -136.779 345.228 PRESSAVG: 1511000 -8.43385 -33.5936 43.1736 -33.5936 15.9424 1.87888 43.1736 1.87891 -6.98003 GPRESSAVG: 1511000 -7.58952 -32.5713 41.894 -33.0058 15.5853 0.514593 42.4837 1.18631 -6.70179 TIMING: 1511000 CPU: 4761.24, 0.00311573/step Wall: 4761.24, 0.00311572/step, 3.01966 hours remaining, 238.410156 MB of memory in use. ENERGY: 1511000 3927.0604 20430.0100 14500.9521 246.5926 -203257.2042 2700.9063 0.0000 0.0000 52034.8244 -109416.8584 299.0449 -161451.6828 -109051.3118 299.5706 229.3798 257.5046 760443.4497 0.1762 0.4313 PRESSURE: 1511200 -189.356 -107.118 -33.8821 -107.119 208.306 -113.01 -33.8827 -113.011 184.144 GPRESSURE: 1511200 -156.01 -93.6585 -6.36325 -87.073 226.706 -180.127 -71.9148 -53.201 207.154 PRESSAVG: 1511200 -9.77807 32.3091 -57.6597 32.3091 -1.551 -39.8527 -57.6597 -39.8527 9.49604 GPRESSAVG: 1511200 -9.76462 32.5138 -58.4014 31.9559 -0.49645 -38.6704 -52.9415 -37.9463 8.12944 TIMING: 1511200 CPU: 4761.86, 0.00312394/step Wall: 4761.86, 0.00312395/step, 3.02745 hours remaining, 238.410156 MB of memory in use. ENERGY: 1511200 4030.7517 20693.4973 14484.0541 249.1389 -203736.9384 2670.4098 0.0000 0.0000 52156.5292 -109452.5573 299.7443 -161609.0865 -109096.6692 299.3645 67.6977 92.6167 760041.1650 -0.6110 -0.7105 PRESSURE: 1511400 -211.003 141.317 -232.8 141.317 -147.252 -91.6588 -232.801 -91.6579 -155.062 GPRESSURE: 1511400 -166.635 76.8127 -132.804 106.805 -87.6374 -68.5554 -299.16 -27.0696 -167.024 PRESSAVG: 1511400 6.83755 -15.5305 26.0953 -15.5305 -16.5763 -67.3156 26.0953 -67.3157 -5.01641 GPRESSAVG: 1511400 5.5935 -14.8783 27.9941 -15.824 -16.913 -66.5495 22.5768 -67.9242 -3.22888 TIMING: 1511400 CPU: 4762.49, 0.00315096/step Wall: 4762.49, 0.00315096/step, 3.05345 hours remaining, 238.410156 MB of memory in use. ENERGY: 1511400 4006.3882 20477.1020 14435.2123 251.7522 -203620.0810 2848.2996 0.0000 0.0000 52176.3905 -109424.9362 299.8584 -161601.3267 -109057.7512 299.4980 -171.1056 -140.4323 760840.0351 -4.9184 -4.8495 PRESSURE: 1511600 -120.169 -158.645 176.779 -158.644 -11.0705 82.04 176.778 82.0398 363.871 GPRESSURE: 1511600 50.5777 -210.347 62.5261 -235.98 14.952 102.449 132.454 119.39 245.8 PRESSAVG: 1511600 58.8638 5.41583 25.4047 5.41582 -27.8629 -43.0823 25.4048 -43.0823 4.74652 GPRESSAVG: 1511600 60.0579 3.00327 25.5301 6.74371 -27.4133 -42.8676 25.6965 -44.7474 3.61726 TIMING: 1511600 CPU: 4763.12, 0.00312502/step Wall: 4763.12, 0.00312502/step, 3.02815 hours remaining, 238.410156 MB of memory in use. ENERGY: 1511600 3896.7654 20588.9126 14499.1988 251.6191 -202929.2059 2264.8558 0.0000 0.0000 52058.6992 -109369.1550 299.1821 -161427.8542 -109000.2091 299.4384 77.5438 103.7767 762263.3262 11.9158 12.0873 PRESSURE: 1511800 19.0756 -76.3448 131.984 -76.3442 220.538 -192.859 131.984 -192.86 76.49 GPRESSURE: 1511800 111.767 -40.999 77.1794 -61.5528 162.001 -305.82 109.698 -322.974 126.608 PRESSAVG: 1511800 50.1589 26.9056 30.4807 26.9056 4.01586 -2.17888 30.4806 -2.17896 16.4062 GPRESSAVG: 1511800 50.5427 26.667 30.4405 27.2692 3.80607 -3.196 27.9595 -3.75083 16.3327 TIMING: 1511800 CPU: 4763.74, 0.00313624/step Wall: 4763.74, 0.00313624/step, 3.03885 hours remaining, 238.410156 MB of memory in use. ENERGY: 1511800 3987.1328 20495.5135 14442.0687 232.8613 -203508.1900 2805.7547 0.0000 0.0000 52375.9541 -109168.9049 301.0053 -161544.8590 -108808.7434 299.4894 105.3677 133.4588 760388.2697 23.5270 23.5605 PRESSURE: 1512000 232.814 46.562 1.6019 46.5622 -139.659 117.012 1.60171 117.011 22.7229 GPRESSURE: 1512000 224.128 -30.6333 72.7185 -91.1876 7.96207 98.4567 34.954 67.213 -55.7673 PRESSAVG: 1512000 6.92245 -29.1189 33.9058 -29.1189 -16.6402 -35.8773 33.9058 -35.8773 -8.90942 GPRESSAVG: 1512000 5.99602 -27.4589 34.527 -30.1837 -15.5207 -36.6258 37.2535 -33.287 -9.15867 TIMING: 1512000 CPU: 4764.37, 0.00313216/step Wall: 4764.37, 0.00313216/step, 3.03472 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1512000 3962.8483 20470.5603 14498.7839 239.1431 -203411.1598 2719.2491 0.0000 0.0000 52533.7559 -108986.8191 301.9122 -161520.5750 -108622.2222 300.3808 38.6258 58.7742 761809.5378 -6.2090 -6.2278 PRESSURE: 1512200 -37.5726 73.9329 -70.4551 73.934 54.9201 -22.7889 -70.454 -22.7881 -4.45063 GPRESSURE: 1512200 -13.9314 -26.4056 -6.57921 81.4862 96.9603 -39.6413 -59.8148 -35.5972 28.823 PRESSAVG: 1512200 5.4126 -3.84036 -10.015 -3.84036 -0.789703 18.3818 -10.0149 18.3818 -23.4048 GPRESSAVG: 1512200 5.30994 -4.96233 -10.6132 -4.37681 -1.30907 20.3824 -11.0439 18.543 -22.7363 TIMING: 1512200 CPU: 4765, 0.00313444/step Wall: 4765, 0.00313444/step, 3.03675 hours remaining, 238.410156 MB of memory in use. ENERGY: 1512200 3888.0082 20543.7118 14493.1909 252.4304 -203004.6483 2483.1946 0.0000 0.0000 52263.9747 -109080.1377 300.3618 -161344.1124 -108713.7174 300.2507 4.2990 37.2840 761942.8423 -6.2606 -6.2452 LDB: ============= START OF LOAD BALANCING ============== 4777.39 LDB: ============== END OF LOAD BALANCING =============== 4777.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4777.39 LDB: ============= START OF LOAD BALANCING ============== 4777.71 LDB: Largest compute 7068 load 0.032354 is 16.5% of average load 0.196056 LDB: Average compute 0.004349 is 2.2% of average load 0.196056 LDB: TIME 4777.71 LOAD: AVG 0.196056 MAX 0.216277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 4777.71 LOAD: AVG 0.196056 MAX 0.216277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: TIME 4777.71 LOAD: AVG 0.196056 MAX 0.216277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: ============== END OF LOAD BALANCING =============== 4777.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4777.72 PRESSURE: 1512400 -72.511 -115.614 -70.028 -115.615 -147.728 -112.126 -70.0272 -112.126 336.272 GPRESSURE: 1512400 -10.0509 -108.972 -36.3311 -23.8964 -105.786 -126.894 -72.3049 -133.034 308.011 PRESSAVG: 1512400 -2.581 2.87502 -7.26154 2.87496 5.16342 -3.58437 -7.26158 -3.58436 -5.42257 GPRESSAVG: 1512400 -2.52358 1.14176 -7.87093 4.89108 4.83616 -4.34134 -6.61535 -3.04012 -5.3375 TIMING: 1512400 CPU: 4765.64, 0.00321017/step Wall: 4765.64, 0.00321017/step, 3.10994 hours remaining, 238.542969 MB of memory in use. ENERGY: 1512400 3887.0148 20523.2472 14449.8589 259.3735 -203034.1101 2427.0884 0.0000 0.0000 52241.3801 -109246.1472 300.2319 -161487.5273 -108876.7844 299.6055 38.6777 64.0579 761172.9584 -0.9467 -1.0083 PRESSURE: 1512600 -146.347 -96.9001 135.115 -96.9008 -192.897 214.012 135.114 214.012 -325.881 GPRESSURE: 1512600 -132.667 -122.124 149.347 -58.2926 -150.147 210.956 119.87 245.919 -313.195 PRESSAVG: 1512600 -13.4636 -21.8303 32.5687 -21.8303 29.1771 18.7676 32.5686 18.7676 -19.6105 GPRESSAVG: 1512600 -13.6336 -21.4 32.9322 -23.6093 29.1755 19.0979 32.5743 19.0624 -19.227 TIMING: 1512600 CPU: 4766.26, 0.00312819/step Wall: 4766.26, 0.00312819/step, 3.03035 hours remaining, 238.542969 MB of memory in use. ENERGY: 1512600 4057.1917 20647.3544 14412.2973 231.7208 -203122.4487 2433.5899 0.0000 0.0000 52352.3768 -108987.9179 300.8698 -161340.2946 -108619.7672 300.0572 -221.7081 -198.6695 762134.9042 -1.2990 -1.2284 PRESSURE: 1512800 -61.8703 -20.8568 107.899 -20.857 -484.248 -335.213 107.899 -335.215 238.829 GPRESSURE: 1512800 2.42657 2.4553 170.156 36.1095 -501.044 -355.667 28.863 -280.457 270.247 PRESSAVG: 1512800 14.9656 5.45752 31.0497 5.45753 22.7373 17.6803 31.0496 17.6804 0.471087 GPRESSAVG: 1512800 15.8088 7.45429 32.9814 5.56791 23.048 17.305 28.0852 13.6197 -0.607588 TIMING: 1512800 CPU: 4766.89, 0.00312145/step Wall: 4766.89, 0.00312145/step, 3.02364 hours remaining, 238.542969 MB of memory in use. ENERGY: 1512800 3965.4346 20576.0295 14448.5887 224.1395 -203245.6973 2462.5617 0.0000 0.0000 52423.8853 -109145.0579 301.2808 -161568.9433 -108783.8303 300.3855 -102.4299 -76.1235 762523.2661 12.7247 12.7497 PRESSURE: 1513000 129.638 3.16117 -70.9208 3.16165 29.4779 346.786 -70.9208 346.786 257.519 GPRESSURE: 1513000 250.411 -57.9918 -60.4314 10.8766 37.0639 394.662 -32.4999 280.011 221.618 PRESSAVG: 1513000 2.97229 -22.1097 29.0727 -22.1097 7.01099 15.7306 29.0726 15.7306 20.1887 GPRESSAVG: 1513000 2.96983 -22.4325 25.8594 -21.244 5.89802 17.1109 32.3939 21.1875 21.696 TIMING: 1513000 CPU: 4767.51, 0.0031226/step Wall: 4767.51, 0.0031226/step, 3.02459 hours remaining, 238.542969 MB of memory in use. ENERGY: 1513000 3949.0278 20652.9667 14506.0635 260.2912 -203357.2326 2761.9657 0.0000 0.0000 52350.0095 -108876.9082 300.8562 -161226.9176 -108510.2713 300.2858 138.8784 169.6979 761230.4527 10.0573 10.1880 PRESSURE: 1513200 -296.564 -73.2974 -12.1795 -73.2971 -258.804 -30.4429 -12.18 -30.4431 -245.081 GPRESSURE: 1513200 -271.19 -82.9519 59.3457 -56.4413 -136.412 -15.625 105.194 24.5328 -303.14 PRESSAVG: 1513200 -47.6981 -42.5063 21.1565 -42.5062 10.0558 16.923 21.1565 16.923 2.34169 GPRESSAVG: 1513200 -47.3381 -44.2529 22.911 -42.3643 10.3883 13.4007 21.5833 15.7267 2.04235 TIMING: 1513200 CPU: 4768.14, 0.00311261/step Wall: 4768.14, 0.00311261/step, 3.01473 hours remaining, 238.542969 MB of memory in use. ENERGY: 1513200 3990.1445 20407.7887 14450.6426 253.9857 -203068.5421 2217.4493 0.0000 0.0000 52515.2429 -109233.2885 301.8058 -161748.5313 -108859.7774 300.3246 -266.8165 -236.9140 761995.7022 -11.7669 -11.6358 PRESSURE: 1513400 -326.592 -142.701 120.275 -142.702 207.654 -322.076 120.276 -322.077 205.738 GPRESSURE: 1513400 -263.615 -58.9662 40.7205 -129.997 211.095 -260.555 -2.71771 -338.016 226.783 PRESSAVG: 1513400 28.6584 -30.5829 -14.0689 -30.5829 -22.6075 -8.25139 -14.069 -8.25143 -3.55343 GPRESSAVG: 1513400 26.463 -28.5907 -15.0311 -31.8878 -21.7629 -5.76826 -15.2288 -8.04012 -2.32689 TIMING: 1513400 CPU: 4768.76, 0.00313227/step Wall: 4768.76, 0.00313227/step, 3.0336 hours remaining, 238.542969 MB of memory in use. ENERGY: 1513400 3999.5340 20731.8888 14430.9312 255.5057 -203522.5081 2824.0170 0.0000 0.0000 52150.1766 -109130.4548 299.7078 -161280.6313 -108774.3974 299.8658 28.9332 58.0876 760717.4804 0.8325 0.7911 PRESSURE: 1513600 294.715 -241.085 -202.522 -241.085 327.942 -13.0939 -202.522 -13.0944 97.7742 GPRESSURE: 1513600 298.276 -112.578 -163.855 -190.466 395.536 -58.4217 -126.665 -187.17 104.776 PRESSAVG: 1513600 8.29809 -72.9772 -22.0563 -72.9773 13.2998 -92.4863 -22.0563 -92.4862 -5.85556 GPRESSAVG: 1513600 10.079 -75.1235 -20.2471 -71.0088 13.0148 -93.3922 -22.0225 -92.0899 -7.17101 TIMING: 1513600 CPU: 4769.39, 0.00312096/step Wall: 4769.39, 0.00312096/step, 3.02248 hours remaining, 238.542969 MB of memory in use. ENERGY: 1513600 4055.8823 20503.7289 14422.8119 247.8821 -203435.2518 2705.7190 0.0000 0.0000 52296.2943 -109202.9333 300.5475 -161499.2276 -108832.5633 300.6678 240.1435 266.1960 760225.4337 5.2474 5.3076 PRESSURE: 1513800 -125.026 -42.5654 -37.9171 -42.5653 113.671 79.785 -37.9173 79.7842 28.4344 GPRESSURE: 1513800 -53.4721 -35.0322 -40.2339 -57.0795 56.4772 123.838 -40.6806 40.338 96.9665 PRESSAVG: 1513800 -14.9588 3.31305 -43.0103 3.313 85.2708 -19.8758 -43.0103 -19.8758 11.2491 GPRESSAVG: 1513800 -14.1848 5.45346 -43.2779 0.240161 85.1717 -20.3302 -44.8358 -21.2592 10.892 TIMING: 1513800 CPU: 4770.01, 0.00311768/step Wall: 4770.01, 0.00311768/step, 3.01913 hours remaining, 238.542969 MB of memory in use. ENERGY: 1513800 3976.1605 20530.3880 14528.2857 255.6802 -203243.3509 2578.2744 0.0000 0.0000 52234.5610 -109140.0011 300.1927 -161374.5622 -108778.0226 300.5480 5.6929 33.3239 761461.1782 27.1871 27.2930 PRESSURE: 1514000 -37.3071 70.5595 26.93 70.5591 -448.253 62.2786 26.9304 62.2788 38.8133 GPRESSURE: 1514000 81.3104 297.229 63.1032 46.8827 -457.03 119.563 -7.11483 -157.739 2.62554 PRESSAVG: 1514000 -8.48186 -23.1194 -20.7415 -23.1193 47.7463 15.5561 -20.7416 15.556 -2.44437 GPRESSAVG: 1514000 -9.63547 -24.8882 -21.2981 -21.7532 48.6274 16.8081 -20.3219 17.0857 -2.1513 TIMING: 1514000 CPU: 4770.63, 0.0031179/step Wall: 4770.63, 0.0031179/step, 3.01916 hours remaining, 238.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1514000 4034.9443 20580.2193 14531.7187 235.2989 -203406.0657 2439.5847 0.0000 0.0000 52193.2799 -109391.0198 299.9555 -161584.2997 -109030.8413 299.8285 -148.9156 -124.3648 760011.1086 12.2734 12.2802 PRESSURE: 1514200 -86.8456 198.908 105.369 198.909 230.751 -11.0098 105.369 -11.0106 259.185 GPRESSURE: 1514200 -36.5366 178.76 107.955 268.751 298.499 -24.7717 133.237 0.481663 237.658 PRESSAVG: 1514200 -23.8488 -35.8163 -24.455 -35.8163 -1.20662 -2.28052 -24.455 -2.28055 -29.8096 GPRESSAVG: 1514200 -22.1339 -35.6798 -22.8314 -34.768 -1.45742 -4.26992 -24.6094 -2.93493 -30.5498 TIMING: 1514200 CPU: 4771.26, 0.00312572/step Wall: 4771.26, 0.00312572/step, 3.02656 hours remaining, 238.542969 MB of memory in use. ENERGY: 1514200 3977.8868 20367.4776 14522.0830 235.0914 -203353.4079 2717.2543 0.0000 0.0000 52104.3642 -109429.2506 299.4445 -161533.6148 -109064.4651 299.7223 134.3637 166.5402 760535.2805 -18.2883 -18.0471 PRESSURE: 1514400 120.791 26.4991 -23.7126 26.499 -418.749 43.1999 -23.7129 43.2002 4.03952 GPRESSURE: 1514400 197.82 8.25692 18.6132 1.59848 -403.098 67.8845 -36.5821 2.86702 -14.8925 PRESSAVG: 1514400 22.347 16.0785 -42.7716 16.0785 -2.91483 78.6941 -42.7716 78.6941 -1.48936 GPRESSAVG: 1514400 22.3177 16.4337 -45.5388 14.8927 -3.46936 78.6788 -39.342 78.5759 -1.26961 TIMING: 1514400 CPU: 4771.88, 0.00311475/step Wall: 4771.88, 0.00311475/step, 3.01577 hours remaining, 238.542969 MB of memory in use. ENERGY: 1514400 4040.1376 20525.8464 14479.9382 223.9560 -203359.2597 2648.7028 0.0000 0.0000 52039.2901 -109401.3884 299.0705 -161440.6786 -109047.4936 299.4406 -97.9727 -73.3901 760354.9453 5.9809 5.8596 PRESSURE: 1514600 -148.328 16.698 131.627 16.6982 -357.058 53.0634 131.627 53.0624 -309.749 GPRESSURE: 1514600 -176.39 -33.4882 118.671 64.6891 -242.113 66.7429 -43.3023 3.83418 -327.026 PRESSAVG: 1514600 -15.789 25.7817 -31.2809 25.7817 -23.5184 -39.4946 -31.2809 -39.4946 -5.85037 GPRESSAVG: 1514600 -13.7824 25.3076 -29.9379 26.1359 -25.6512 -38.4869 -34.7713 -40.4429 -5.52776 TIMING: 1514600 CPU: 4772.51, 0.00312556/step Wall: 4772.51, 0.00312556/step, 3.02606 hours remaining, 238.542969 MB of memory in use. ENERGY: 1514600 3960.6967 20520.8351 14474.7758 252.9363 -202854.0788 2231.6818 0.0000 0.0000 52079.6801 -109333.4729 299.3026 -161413.1530 -108960.6368 299.3731 -271.7115 -248.5098 760649.9708 -15.0526 -14.9871 PRESSURE: 1514800 -505.035 -9.97506 68.2634 -9.97541 -23.4537 -76.6244 68.2629 -76.6233 139.021 GPRESSURE: 1514800 -453.17 10.8693 16.9046 3.62717 8.82732 -70.86 112.937 -76.3183 118.974 PRESSAVG: 1514800 38.5386 -27.5516 34.9826 -27.5516 -8.36963 -8.63494 34.9827 -8.63491 29.3687 GPRESSAVG: 1514800 37.3131 -27.9373 35.4516 -27.7075 -6.47464 -9.41319 36.1571 -9.15021 28.5098 TIMING: 1514800 CPU: 4773.13, 0.00314022/step Wall: 4773.13, 0.00314022/step, 3.04008 hours remaining, 238.542969 MB of memory in use. ENERGY: 1514800 4004.4607 20673.5730 14463.9558 243.9801 -203669.3598 2579.7315 0.0000 0.0000 52203.6781 -109499.9805 300.0153 -161703.6587 -109150.4792 299.3459 -129.8224 -108.4564 760570.9266 19.8459 19.7828 PRESSURE: 1515000 -153.315 148.982 -73.5268 148.981 -245.724 -225.342 -73.5254 -225.343 -126.256 GPRESSURE: 1515000 -117.891 122.552 38.276 146.738 -207.224 -120.713 -124.781 -25.5386 -110.125 PRESSAVG: 1515000 -4.96315 33.5113 -1.22968 33.5113 -45.5431 -49.9591 -1.22958 -49.9591 17.4995 GPRESSAVG: 1515000 -4.41353 32.5918 -0.65431 34.1502 -46.0698 -48.2463 -1.70474 -48.4607 18.0544 TIMING: 1515000 CPU: 4773.76, 0.00315185/step Wall: 4773.76, 0.00315185/step, 3.05117 hours remaining, 238.542969 MB of memory in use. ENERGY: 1515000 3949.0016 20631.0731 14428.0115 257.6166 -203127.5140 2530.8532 0.0000 0.0000 51991.0920 -109339.8659 298.7935 -161330.9579 -108969.1878 299.5440 -175.0986 -145.0799 763692.9929 -11.0022 -10.8096 PRESSURE: 1515200 252.809 50.5495 56.6011 50.5499 74.3594 -46.8977 56.6013 -46.8984 343.793 GPRESSURE: 1515200 363.913 157.677 43.3144 45.1536 31.7385 -53.7958 -71.3343 2.27275 345.385 PRESSAVG: 1515200 -39.6065 13.8256 -32.0399 13.8256 -2.70601 -13.5459 -32.0399 -13.5459 -6.65387 GPRESSAVG: 1515200 -41.5033 15.8533 -32.1338 14.9409 -2.14501 -14.0649 -32.8178 -12.414 -5.45932 TIMING: 1515200 CPU: 4774.39, 0.0031303/step Wall: 4774.39, 0.0031303/step, 3.03013 hours remaining, 238.542969 MB of memory in use. ENERGY: 1515200 4022.9348 20537.8404 14453.8392 240.2163 -203969.5752 3103.4112 0.0000 0.0000 52320.6090 -109290.7243 300.6873 -161611.3333 -108916.5023 299.5882 223.6537 247.0122 761905.1228 -16.3221 -16.3692 PRESSURE: 1515400 -416.511 -36.6028 -58.0269 -36.6032 -272.264 83.6036 -58.0264 83.6038 -241.288 GPRESSURE: 1515400 -326.457 50.9591 -121.901 -69.8489 -254.516 75.5015 9.81353 118.225 -261.909 PRESSAVG: 1515400 24.3898 52.3665 2.70912 52.3664 -37.2009 -3.08305 2.70914 -3.08304 -0.205479 GPRESSAVG: 1515400 25.9763 52.2805 2.7254 52.7793 -37.1799 -2.67232 4.01599 -4.13681 -1.97735 TIMING: 1515400 CPU: 4775.02, 0.00313418/step Wall: 4775.02, 0.00313418/step, 3.03371 hours remaining, 238.542969 MB of memory in use. ENERGY: 1515400 3936.4909 20615.8284 14522.0647 255.0886 -203085.9819 2385.0994 0.0000 0.0000 52177.6966 -109193.7133 299.8659 -161371.4099 -108827.6620 299.9239 -310.0211 -280.9607 763459.7058 -4.3389 -4.3936 PRESSURE: 1515600 -229.234 -208.751 -245.388 -208.751 152.797 -220.224 -245.388 -220.224 -32.9139 GPRESSURE: 1515600 -372.828 -189.004 -278.131 -99.514 293.935 -323.937 -177.549 -175.809 60.8978 PRESSAVG: 1515600 11.7726 0.511549 -25.3216 0.511571 7.42583 -29.6539 -25.3216 -29.654 -0.417496 GPRESSAVG: 1515600 9.35693 0.277325 -25.6696 -0.283887 8.48502 -30.5103 -26.4972 -29.9596 0.576751 TIMING: 1515600 CPU: 4775.65, 0.00313724/step Wall: 4775.65, 0.00313724/step, 3.0365 hours remaining, 238.542969 MB of memory in use. ENERGY: 1515600 4024.9040 20398.3847 14503.6244 246.2571 -202836.8499 2391.7082 0.0000 0.0000 52175.3540 -109096.6175 299.8525 -161271.9715 -108741.0619 299.8700 -36.4503 -5.9985 764350.7331 6.2603 6.1396 PRESSURE: 1515800 182.83 92.2473 286.204 92.2483 -106.619 12.0167 286.204 12.0157 209.026 GPRESSURE: 1515800 140.289 76.6142 269.099 45.0728 -3.87654 126.18 215.715 47.7756 237.625 PRESSAVG: 1515800 -21.8024 3.1082 4.94452 3.10821 16.8695 -13.5318 4.94458 -13.5318 13.2269 GPRESSAVG: 1515800 -20.048 3.60621 4.83281 3.5305 16.7632 -13.6333 6.70642 -11.8742 11.8414 TIMING: 1515800 CPU: 4776.28, 0.00315617/step Wall: 4776.28, 0.00315617/step, 3.05464 hours remaining, 238.542969 MB of memory in use. ENERGY: 1515800 3954.0095 20525.6934 14468.1247 252.4302 -203189.6541 2509.4101 0.0000 0.0000 52431.5214 -109048.4648 301.3247 -161479.9862 -108680.9096 299.7330 95.0788 124.6794 761471.1048 2.7647 2.8522 PRESSURE: 1516000 -152.414 98.08 -150.731 98.0797 -78.0101 -25.2826 -150.731 -25.2826 -65.1411 GPRESSURE: 1516000 -118.744 -22.0082 -114.505 102.793 -29.3178 76.799 -122.065 -34.4898 -66.0849 PRESSAVG: 1516000 -34.4368 -40.6889 24.4998 -40.6889 46.9108 16.2644 24.4998 16.2644 -5.59335 GPRESSAVG: 1516000 -34.063 -42.3024 25.0492 -39.8921 45.8793 17.0126 21.321 13.616 -5.88643 TIMING: 1516000 CPU: 4776.91, 0.00314303/step Wall: 4776.91, 0.00314303/step, 3.04176 hours remaining, 238.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1516000 4001.4674 20481.1953 14469.8206 223.4455 -203107.2577 2457.1314 0.0000 0.0000 52325.2684 -109148.9292 300.7140 -161474.1976 -108799.7811 300.2279 -98.5217 -71.3822 762336.9414 2.2936 1.9766 PRESSURE: 1516200 43.6101 64.157 -100.221 64.1557 -113.742 203.69 -100.221 203.689 -359.583 GPRESSURE: 1516200 37.7463 132.059 -154.772 32.9644 -101.164 198.855 -1.16229 104.363 -287.92 PRESSAVG: 1516200 -6.77011 12.9291 36.1447 12.9291 6.55819 -17.0421 36.1447 -17.0422 6.07353 GPRESSAVG: 1516200 -7.42705 13.6806 36.698 11.8379 6.2152 -17.0092 36.831 -14.0515 6.43036 TIMING: 1516200 CPU: 4777.53, 0.00313258/step Wall: 4777.53, 0.00313258/step, 3.03147 hours remaining, 238.542969 MB of memory in use. ENERGY: 1516200 4013.7144 20581.8792 14471.6354 236.8888 -202963.2084 2679.6263 0.0000 0.0000 51911.4724 -109067.9920 298.3359 -160979.4644 -108692.2072 299.6166 -143.2383 -117.1126 764457.1799 1.9539 1.7395 LDB: ============= START OF LOAD BALANCING ============== 4789.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4789.93 LDB: =============== DONE WITH MIGRATION ================ 4789.93 LDB: ============= START OF LOAD BALANCING ============== 4790.24 LDB: Largest compute 7068 load 0.033292 is 17.0% of average load 0.196074 LDB: Average compute 0.004384 is 2.2% of average load 0.196074 LDB: TIME 4790.25 LOAD: AVG 0.196074 MAX 0.21806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 4790.25 LOAD: AVG 0.196074 MAX 0.21806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: TIME 4790.25 LOAD: AVG 0.196074 MAX 0.21806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: ============== END OF LOAD BALANCING =============== 4790.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4790.25 PRESSURE: 1516400 -226.788 -149.876 -20.1081 -149.875 79.1123 -198.172 -20.1085 -198.172 338.455 GPRESSURE: 1516400 -249.641 -112.286 21.2845 -127.062 173.66 -140.179 -123.358 -175.307 351.942 PRESSAVG: 1516400 -13.5826 21.549 49.4562 21.549 22.7074 -26.9057 49.4562 -26.9058 -21.6572 GPRESSAVG: 1516400 -14.4304 21.8924 48.6966 20.5898 22.7613 -28.1383 48.7621 -28.3164 -20.4946 TIMING: 1516400 CPU: 4778.17, 0.00319741/step Wall: 4778.17, 0.00319741/step, 3.09403 hours remaining, 237.433594 MB of memory in use. ENERGY: 1516400 4025.5084 20468.8506 14463.1574 254.7233 -202968.3456 2705.7587 0.0000 0.0000 52296.7592 -108753.5879 300.5502 -161050.3471 -108393.6862 300.2911 63.5932 91.9869 764225.0922 -4.1775 -4.0546 PRESSURE: 1516600 -5.68303 -23.6323 78.6156 -23.6312 369.939 -112.602 78.6167 -112.602 -95.059 GPRESSURE: 1516600 70.1355 -85.5955 235.106 2.06783 406.744 -41.5814 -66.2456 -118.936 -110.475 PRESSAVG: 1516600 4.86259 -7.18218 22.9521 -7.18223 -8.24743 -4.43578 22.9521 -4.43573 -24.1142 GPRESSAVG: 1516600 5.65095 -7.6821 23.09 -4.97352 -8.9786 -4.29043 24.1203 -4.51839 -24.8797 TIMING: 1516600 CPU: 4778.8, 0.00313615/step Wall: 4778.8, 0.00313615/step, 3.03458 hours remaining, 237.433594 MB of memory in use. ENERGY: 1516600 4006.9872 20497.2999 14504.7206 247.1259 -203447.9344 2809.5415 0.0000 0.0000 52342.4986 -109039.7607 300.8131 -161382.2593 -108678.2576 300.1885 89.7323 122.1347 763832.9052 -9.1663 -9.4025 PRESSURE: 1516800 -213.257 -82.5492 94.3924 -82.5499 95.9839 158.5 94.3923 158.5 -2.68767 GPRESSURE: 1516800 -157.645 -64.6488 14.9534 4.52357 108.077 152.941 172.749 147.737 11.4205 PRESSAVG: 1516800 -35.0342 -31.4918 49.2893 -31.4918 55.7329 -5.69799 49.2892 -5.69797 9.12194 GPRESSAVG: 1516800 -34.3905 -31.3972 49.6279 -31.6554 54.8943 -5.09263 49.3385 -6.32743 9.58292 TIMING: 1516800 CPU: 4779.42, 0.00313008/step Wall: 4779.42, 0.00313008/step, 3.02853 hours remaining, 237.433594 MB of memory in use. ENERGY: 1516800 3957.6497 20507.6895 14567.9323 254.8225 -203181.5761 2699.1664 0.0000 0.0000 52169.5925 -109024.7232 299.8194 -161194.3158 -108658.3370 299.9779 -39.9868 -12.7158 763769.2545 9.9402 10.0289 PRESSURE: 1517000 -299.81 158.44 -328.863 158.44 -342.587 64.9917 -328.863 64.9922 -262.464 GPRESSURE: 1517000 -193.361 183.461 -323.51 117.422 -356.686 55.8209 -186.792 -127.214 -287.387 PRESSAVG: 1517000 -56.3646 46.5938 62.4513 46.5938 41.7607 75.2497 62.4513 75.2497 -10.762 GPRESSAVG: 1517000 -57.4768 49.1965 61.5756 44.7008 43.1447 74.7895 64.9114 74.452 -11.1647 TIMING: 1517000 CPU: 4780.05, 0.00314152/step Wall: 4780.05, 0.00314152/step, 3.03942 hours remaining, 237.433594 MB of memory in use. ENERGY: 1517000 4074.2780 20620.5724 14536.0979 253.1840 -203289.3480 2636.7756 0.0000 0.0000 52024.2476 -109144.1925 298.9841 -161168.4402 -108781.4038 299.8879 -301.6207 -279.1447 766087.5776 -8.4553 -8.4989 PRESSURE: 1517200 -54.999 -46.0964 264.271 -46.096 -180.82 117.571 264.271 117.571 -582.861 GPRESSURE: 1517200 -109.167 -133.812 260.032 -30.0806 -165.833 203.667 285.596 107.645 -475.276 PRESSAVG: 1517200 -22.433 1.52586 62.3325 1.52585 36.4035 31.0763 62.3325 31.0764 -6.98015 GPRESSAVG: 1517200 -21.0172 0.44541 62.9973 1.53173 34.4904 31.371 62.0081 31.0116 -6.5095 TIMING: 1517200 CPU: 4780.68, 0.00313257/step Wall: 4780.68, 0.00313257/step, 3.03058 hours remaining, 237.433594 MB of memory in use. ENERGY: 1517200 4065.3085 20653.8373 14513.0987 240.8363 -203158.8485 2335.0657 0.0000 0.0000 52229.0110 -109121.6910 300.1608 -161350.7020 -108759.9775 299.5786 -272.8933 -250.0917 764233.2704 2.3301 2.3212 PRESSURE: 1517400 -167.011 -19.1495 101.487 -19.1501 -467.157 -124.247 101.487 -124.246 158.977 GPRESSURE: 1517400 -76.0769 -76.8056 59.1094 15.7212 -376.021 -101.135 172.064 -15.5022 51.8883 PRESSAVG: 1517400 -36.0122 -18.1888 22.8808 -18.1888 -9.2189 12.2246 22.8808 12.2246 -18.6964 GPRESSAVG: 1517400 -36.273 -20.007 23.1747 -16.4497 -7.95417 11.6021 21.7881 13.2856 -19.7233 TIMING: 1517400 CPU: 4781.3, 0.00311865/step Wall: 4781.3, 0.00311865/step, 3.01695 hours remaining, 237.433594 MB of memory in use. ENERGY: 1517400 3973.3447 20601.9428 14506.6543 244.6843 -203321.8821 2625.5810 0.0000 0.0000 52250.9380 -109118.7371 300.2869 -161369.6751 -108757.7737 300.0334 -158.3973 -133.4032 762844.0990 -21.3092 -21.3168 PRESSURE: 1517600 -184.024 85.1968 -30.5215 85.1965 220.72 -136.506 -30.5219 -136.505 174.513 GPRESSURE: 1517600 -127.486 -3.74651 3.57075 230.225 220.283 -110.752 -144.552 -54.0621 192.586 PRESSAVG: 1517600 -36.556 -23.4362 37.198 -23.4362 25.9248 26.3843 37.198 26.3843 28.424 GPRESSAVG: 1517600 -36.5167 -21.6235 37.9036 -22.8675 24.9367 27.0661 34.8078 27.4815 29.3977 TIMING: 1517600 CPU: 4781.93, 0.00314006/step Wall: 4781.93, 0.00314006/step, 3.03749 hours remaining, 237.433594 MB of memory in use. ENERGY: 1517600 3951.3210 20447.3418 14529.4029 257.2614 -202927.1501 2365.8627 0.0000 0.0000 52272.6869 -109103.2736 300.4118 -161375.9604 -108734.4877 299.6151 70.4029 95.1277 762600.8263 5.9309 5.9392 PRESSURE: 1517800 -275.121 201.931 15.5856 201.931 -31.123 -137.171 15.586 -137.171 5.65801 GPRESSURE: 1517800 -235.282 62.4555 -16.4975 219.621 -16.3475 -175.389 65.3248 -165.606 32.3513 PRESSAVG: 1517800 -19.6919 13.1813 10.8119 13.1813 0.184748 -18.6175 10.8119 -18.6175 20.854 GPRESSAVG: 1517800 -20.528 11.0677 11.4454 12.7111 2.02157 -18.8995 12.5041 -19.0697 19.4855 TIMING: 1517800 CPU: 4782.56, 0.00312075/step Wall: 4782.56, 0.00312075/step, 3.01863 hours remaining, 237.433594 MB of memory in use. ENERGY: 1517800 4044.7458 20653.8126 14501.0886 253.0108 -203042.7904 2499.6416 0.0000 0.0000 52000.1063 -109090.3846 298.8453 -161090.4909 -108725.1954 300.2183 -100.1953 -73.0929 763208.9808 0.4490 0.3263 PRESSURE: 1518000 302.792 -160.303 -78.556 -160.302 -206.865 -22.6011 -78.5557 -22.6009 -54.832 GPRESSURE: 1518000 277.085 -146.083 3.2104 -152.766 -71.0877 -100.725 -30.6988 92.9238 -77.1681 PRESSAVG: 1518000 -63.9775 9.60387 22.9938 9.60387 13.2045 -25.4186 22.9939 -25.4187 -2.69957 GPRESSAVG: 1518000 -65.2322 14.2522 22.8309 9.26847 12.1454 -26.2745 23.1125 -26.1312 -0.720227 TIMING: 1518000 CPU: 4783.18, 0.00311731/step Wall: 4783.18, 0.00311731/step, 3.01513 hours remaining, 237.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1518000 4047.5640 20528.9348 14506.1027 250.7067 -203504.0760 2635.6443 0.0000 0.0000 52383.7818 -109151.3418 301.0503 -161535.1236 -108784.2491 299.8717 13.6983 42.9430 763003.7309 -17.8242 -17.9357 PRESSURE: 1518200 102.465 -83.3574 -185.136 -83.3564 -123.541 -251.316 -185.135 -251.317 -249.761 GPRESSURE: 1518200 119.8 -186.493 -192.781 -11.4257 -96.5064 -220.253 -139.027 -236.739 -210.563 PRESSAVG: 1518200 -7.44663 -66.2153 70.173 -66.2152 -36.5677 -46.9579 70.173 -46.958 -1.15648 GPRESSAVG: 1518200 -6.94856 -69.7474 69.6073 -67.4183 -35.6196 -45.4116 67.1124 -48.5569 -2.6365 TIMING: 1518200 CPU: 4783.8, 0.00311935/step Wall: 4783.8, 0.00311935/step, 3.01693 hours remaining, 237.433594 MB of memory in use. ENERGY: 1518200 3983.1752 20569.6094 14452.9198 250.2303 -202914.3428 2460.3000 0.0000 0.0000 52166.6455 -109031.4626 299.8024 -161198.1081 -108676.8431 300.0111 -90.2792 -62.4232 763341.2961 -15.0569 -15.0682 PRESSURE: 1518400 -85.2597 87.2936 -36.0628 87.2936 -46.8189 96.61 -36.0624 96.6085 -18.3132 GPRESSURE: 1518400 -158.454 131.298 -4.07679 97.0942 -28.7041 153.435 4.19962 4.60796 143.279 PRESSAVG: 1518400 36.8336 -1.33623 -25.0883 -1.3362 -12.5933 -18.9489 -25.0884 -18.9489 17.9424 GPRESSAVG: 1518400 36.9772 -1.33797 -27.1142 0.606482 -13.7851 -19.0737 -20.5694 -17.8258 19.6244 TIMING: 1518400 CPU: 4784.43, 0.00313746/step Wall: 4784.43, 0.00313746/step, 3.03427 hours remaining, 237.433594 MB of memory in use. ENERGY: 1518400 3972.1024 20542.8311 14498.7125 271.2343 -203225.9950 2458.9166 0.0000 0.0000 52494.6970 -108987.5012 301.6877 -161482.1982 -108632.6955 300.2478 -50.1306 -14.6261 761491.3975 14.0609 14.2722 PRESSURE: 1518600 -230.6 -69.8799 51.0128 -69.8803 208.808 109.744 51.0134 109.745 190.089 GPRESSURE: 1518600 -143.164 -90.2127 58.3399 34.2276 168.042 133.032 44.4523 142.26 217.515 PRESSAVG: 1518600 -74.6551 5.99602 -2.49107 5.99598 57.5372 65.6907 -2.49109 65.6906 14.3271 GPRESSAVG: 1518600 -73.9898 6.41073 -0.625213 4.3215 57.7475 65.4765 -4.39488 65.3883 13.1003 TIMING: 1518600 CPU: 4785.05, 0.00311794/step Wall: 4785.05, 0.00311794/step, 3.01522 hours remaining, 237.433594 MB of memory in use. ENERGY: 1518600 3980.5528 20523.2917 14488.4963 240.6649 -203002.7742 2430.8598 0.0000 0.0000 52441.3742 -108897.5343 301.3813 -161338.9085 -108531.4602 300.6173 56.0991 80.7977 761742.0637 -0.9303 -1.0473 PRESSURE: 1518800 92.1017 40.3209 -58.5867 40.3213 -145.856 10.8224 -58.5866 10.8226 39.8583 GPRESSURE: 1518800 169.207 48.6175 -75.0679 -96.6191 -52.462 -38.0944 -83.5955 8.26496 -41.2015 PRESSAVG: 1518800 -14.5882 -79.9046 2.8826 -79.9046 4.01055 25.1448 2.88258 25.1448 -35.463 GPRESSAVG: 1518800 -15.0855 -79.064 2.0007 -79.9621 4.48997 23.6695 3.18975 26.6714 -35.8813 TIMING: 1518800 CPU: 4785.68, 0.00313406/step Wall: 4785.68, 0.00313406/step, 3.03063 hours remaining, 237.433594 MB of memory in use. ENERGY: 1518800 4028.1598 20630.3574 14409.8486 241.9356 -203010.4776 2597.6619 0.0000 0.0000 52085.2325 -109017.2819 299.3345 -161102.5144 -108645.5238 300.0251 -4.6319 25.1813 764728.5867 -15.3469 -15.4923 PRESSURE: 1519000 -171.655 -86.3263 -7.05979 -86.3268 58.754 192.917 -7.05915 192.917 34.871 GPRESSURE: 1519000 -21.4458 -209.935 -128.045 17.7437 23.2693 121.556 -23.6691 257.83 6.66064 PRESSAVG: 1519000 -11.1273 -33.1757 22.3675 -33.1756 -9.80738 33.7959 22.3675 33.796 -0.564779 GPRESSAVG: 1519000 -10.8954 -33.3582 22.6702 -33.7024 -8.84684 34.5596 23.5041 33.3782 -1.87252 TIMING: 1519000 CPU: 4786.31, 0.00313272/step Wall: 4786.31, 0.00313272/step, 3.02916 hours remaining, 237.433594 MB of memory in use. ENERGY: 1519000 4076.0387 20610.9885 14457.6462 254.8482 -203066.0301 2392.1864 0.0000 0.0000 52332.1971 -108942.1249 300.7539 -161274.3220 -108578.5023 300.4001 -26.0101 2.8280 762364.8962 -7.1665 -7.2049 PRESSURE: 1519200 -26.435 17.1494 -13.5232 17.1493 -67.504 -177.385 -13.5223 -177.385 389.127 GPRESSURE: 1519200 -121.107 -29.7067 -5.15751 28.6922 32.0226 -167.626 -64.7066 -190.383 453.818 PRESSAVG: 1519200 32.1475 9.23696 -6.42285 9.23695 -4.76397 12.6659 -6.42286 12.6659 1.85076 GPRESSAVG: 1519200 33.2866 11.3801 -6.96439 9.52517 -7.0899 12.9199 -9.03987 11.6524 2.06263 TIMING: 1519200 CPU: 4786.93, 0.00313347/step Wall: 4786.93, 0.00313347/step, 3.02971 hours remaining, 237.433594 MB of memory in use. ENERGY: 1519200 3964.3417 20548.4946 14460.1666 267.8255 -203454.3265 2724.7803 0.0000 0.0000 52194.7145 -109294.0033 299.9637 -161488.7179 -108927.5627 300.3934 98.3961 121.5778 760344.4126 9.7448 9.4198 PRESSURE: 1519400 300.733 46.6771 136.746 46.6767 -34.3326 308.818 136.745 308.819 -248.769 GPRESSURE: 1519400 288.745 -7.16883 125.566 71.8777 -61.2652 180.058 120.987 246.018 -134.842 PRESSAVG: 1519400 -19.5406 13.2012 34.1408 13.2012 -18.5569 -9.02828 34.1408 -9.02826 -13.888 GPRESSAVG: 1519400 -21.6762 11.4165 34.3759 13.0456 -18.1776 -7.77998 35.0585 -9.4555 -12.7725 TIMING: 1519400 CPU: 4787.56, 0.00311839/step Wall: 4787.56, 0.00311839/step, 3.01497 hours remaining, 237.433594 MB of memory in use. ENERGY: 1519400 4028.1671 20585.0953 14464.6386 261.8559 -203446.4102 2577.4552 0.0000 0.0000 52238.2288 -109290.9693 300.2138 -161529.1980 -108923.2475 299.6051 5.8770 30.8793 762223.5178 -17.3285 -17.5421 PRESSURE: 1519600 143.516 101.372 -51.182 101.372 42.7406 -186.175 -51.182 -186.175 -269.912 GPRESSURE: 1519600 206.408 81.7589 -149.679 245.125 112.761 -136.166 26.4754 -99.1084 -318.571 PRESSAVG: 1519600 58.2021 -3.31448 23.144 -3.31445 -51.0457 -22.0528 23.144 -22.0528 -6.53648 GPRESSAVG: 1519600 57.8518 -2.38347 22.6783 -4.49134 -50.5981 -24.3563 24.145 -19.4777 -6.46991 TIMING: 1519600 CPU: 4788.18, 0.00312991/step Wall: 4788.18, 0.00312991/step, 3.02593 hours remaining, 237.433594 MB of memory in use. ENERGY: 1519600 4079.2477 20477.4438 14539.0179 241.4632 -203323.1348 2655.3958 0.0000 0.0000 52009.9358 -109320.6304 298.9018 -161330.5662 -108956.7898 299.4871 -27.8850 0.1990 762490.5438 0.2066 0.2613 PRESSURE: 1519800 -282.586 -27.8591 11.1765 -27.8583 -348.268 158.508 11.1769 158.508 -608.656 GPRESSURE: 1519800 -216.821 -81.8938 -72.8852 -71.1982 -382.4 80.3947 40.4193 94.3297 -575.34 PRESSAVG: 1519800 26.9988 -7.74428 -8.42985 -7.74421 -41.5037 -32.2331 -8.42983 -32.2331 -9.02225 GPRESSAVG: 1519800 27.6369 -10.1604 -6.84713 -5.70241 -42.4395 -31.8368 -8.04446 -34.7916 -8.93087 TIMING: 1519800 CPU: 4788.81, 0.00314064/step Wall: 4788.81, 0.00314064/step, 3.03613 hours remaining, 237.433594 MB of memory in use. ENERGY: 1519800 3932.3708 20395.4591 14484.8479 247.1057 -202732.7094 1927.3279 0.0000 0.0000 52298.5369 -109447.0611 300.5604 -161745.5979 -109075.6446 298.9754 -413.1700 -391.5203 762372.7622 -7.8424 -7.9112 PRESSURE: 1520000 -17.1466 114.499 192.601 114.498 -257.81 7.68778 192.6 7.68643 152.445 GPRESSURE: 1520000 -35.8392 72.8521 170.139 129.151 -208.657 77.3081 141.414 -24.4745 195.072 PRESSAVG: 1520000 23.3494 -10.2616 28.0994 -10.2616 4.295 -45.0832 28.0994 -45.0832 3.90391 GPRESSAVG: 1520000 23.6946 -10.2258 26.3269 -10.6676 5.57638 -44.0633 26.626 -44.2601 2.81022 TIMING: 1520000 CPU: 4789.44, 0.00315275/step Wall: 4789.44, 0.00315275/step, 3.04766 hours remaining, 237.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1520000 4025.9272 20620.0856 14470.1448 235.5457 -203305.7426 2538.4449 0.0000 0.0000 52087.7927 -109327.8017 299.3493 -161415.5944 -108970.0139 299.5031 -40.8369 -16.4746 761418.9877 10.5161 10.6937 PRESSURE: 1520200 -11.7703 -112.086 -120.505 -112.086 142.369 -186.137 -120.505 -186.137 -477.599 GPRESSURE: 1520200 14.0139 14.2898 -111.867 -203.262 162.369 -81.9019 -7.35074 -186.867 -443.699 PRESSAVG: 1520200 -35.8926 5.93965 -27.6457 5.93959 16.5206 14.3871 -27.6457 14.3872 15.7556 GPRESSAVG: 1520200 -36.9518 6.95911 -25.5914 5.34553 17.9307 14.3015 -27.6097 13.3917 15.3907 TIMING: 1520200 CPU: 4790.07, 0.00314322/step Wall: 4790.07, 0.00314322/step, 3.03827 hours remaining, 237.433594 MB of memory in use. ENERGY: 1520200 4010.6386 20499.6852 14505.4825 263.8928 -203206.1793 2562.0971 0.0000 0.0000 51966.1814 -109398.2017 298.6504 -161364.3831 -109041.6792 299.1959 -115.6668 -89.1053 761348.5514 -1.2055 -1.2101 LDB: ============= START OF LOAD BALANCING ============== 4802.47 LDB: ============== END OF LOAD BALANCING =============== 4802.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4802.47 LDB: ============= START OF LOAD BALANCING ============== 4802.78 LDB: Largest compute 7068 load 0.033340 is 17.0% of average load 0.196054 LDB: Average compute 0.004390 is 2.2% of average load 0.196054 LDB: TIME 4802.79 LOAD: AVG 0.196054 MAX 0.215474 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.977 MB LDB: TIME 4802.79 LOAD: AVG 0.196054 MAX 0.215474 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.977 MB LDB: TIME 4802.79 LOAD: AVG 0.196054 MAX 0.215474 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.977 MB LDB: ============== END OF LOAD BALANCING =============== 4802.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4802.79 PRESSURE: 1520400 242.465 -152.321 27.7883 -152.322 -135.155 67.2199 27.7888 67.2201 259.246 GPRESSURE: 1520400 280.154 -121.359 -60.2501 -141.639 -37.2518 -36.5877 155.658 135.176 222.192 PRESSAVG: 1520400 -9.42803 -10.2698 -18.3521 -10.2698 29.3806 -5.58743 -18.3521 -5.5874 -15.1544 GPRESSAVG: 1520400 -8.06031 -8.62876 -19.4192 -9.83902 27.2899 -5.67958 -16.7658 -6.54205 -14.3491 TIMING: 1520400 CPU: 4790.71, 0.00320817/step Wall: 4790.71, 0.00320817/step, 3.10087 hours remaining, 237.125000 MB of memory in use. ENERGY: 1520400 4032.5494 20613.1198 14451.1869 234.1836 -203525.7865 2806.5393 0.0000 0.0000 52055.3881 -109332.8194 299.1630 -161388.2075 -108971.2144 299.5317 122.1851 155.0314 761901.3699 1.5994 1.6268 PRESSURE: 1520600 -133.184 -184.189 -136.258 -184.19 32.7809 236.737 -136.258 236.735 244.446 GPRESSURE: 1520600 -16.3433 -138.207 -86.1692 -201.83 58.5137 244.823 -254.944 137.581 196.418 PRESSAVG: 1520600 -25.0042 24.8277 34.3069 24.8277 12.1231 -36.3764 34.3069 -36.3764 12.5 GPRESSAVG: 1520600 -25.3009 21.7136 34.1083 26.3451 10.8719 -35.4475 35.3936 -38.8655 13.5045 TIMING: 1520600 CPU: 4791.34, 0.00313969/step Wall: 4791.34, 0.00313969/step, 3.03451 hours remaining, 237.125000 MB of memory in use. ENERGY: 1520600 3957.6730 20716.0140 14465.2184 230.7725 -203470.7712 2728.7013 0.0000 0.0000 52015.2648 -109357.1272 298.9324 -161372.3919 -108990.0639 299.3004 48.0143 79.5296 762734.1301 -0.1270 -0.3082 PRESSURE: 1520800 -114.184 -8.62016 262.039 -8.61953 138.032 168.005 262.039 168.006 -413.769 GPRESSURE: 1520800 -167.262 -83.4889 170.551 73.7112 165.438 159.566 140.088 113.033 -305.684 PRESSAVG: 1520800 31.2743 -21.1987 10.3345 -21.1988 3.72355 -63.6351 10.3345 -63.635 -16.537 GPRESSAVG: 1520800 30.5294 -19.8243 11.2358 -23.9435 4.896 -64.5221 7.26477 -59.1785 -17.1918 TIMING: 1520800 CPU: 4791.97, 0.00314247/step Wall: 4791.97, 0.00314247/step, 3.03703 hours remaining, 237.125000 MB of memory in use. ENERGY: 1520800 3990.6296 20507.6214 14469.2387 256.0083 -203468.1862 2615.3739 0.0000 0.0000 52223.1092 -109406.2052 300.1269 -161629.3143 -109043.2048 299.2892 -129.9734 -102.5025 763420.0812 6.1536 6.0779 PRESSURE: 1521000 138.658 -193.089 20.2631 -193.09 -75.6905 170.447 20.2633 170.448 145.135 GPRESSURE: 1521000 141.871 -128.889 51.4011 -217.319 -10.1849 200.936 24.0593 151.717 154.874 PRESSAVG: 1521000 12.3866 -54.0448 -7.65736 -54.0448 -22.0176 -14.8057 -7.65736 -14.8057 7.96638 GPRESSAVG: 1521000 12.1583 -53.1538 -6.70193 -52.2116 -21.2606 -14.2867 -9.16016 -16.6386 7.29377 TIMING: 1521000 CPU: 4792.6, 0.00314111/step Wall: 4792.6, 0.00314111/step, 3.03553 hours remaining, 237.125000 MB of memory in use. ENERGY: 1521000 3927.4137 20657.7674 14526.8159 262.3234 -203407.3314 2540.5494 0.0000 0.0000 52008.8618 -109483.5998 298.8956 -161492.4616 -109117.2662 299.7987 69.3672 95.5198 761565.9923 -0.5549 -0.6029 PRESSURE: 1521200 -436.554 17.9463 -38.2187 17.9465 -31.2869 -116.817 -38.2189 -116.816 -238.641 GPRESSURE: 1521200 -375.032 -78.8587 -47.7138 -23.3821 -46.2273 -113.439 4.29739 -135.678 -196.432 PRESSAVG: 1521200 -6.27065 -10.4059 36.8525 -10.4059 15.0667 52.2895 36.8525 52.2894 -2.92703 GPRESSAVG: 1521200 -6.26646 -13.654 34.517 -11.3898 14.8776 53.2128 40.3076 53.7829 -2.35199 TIMING: 1521200 CPU: 4793.23, 0.00314177/step Wall: 4793.23, 0.00314177/step, 3.03599 hours remaining, 237.125000 MB of memory in use. ENERGY: 1521200 4033.5063 20570.8159 14442.6981 268.4774 -203207.8823 2304.3856 0.0000 0.0000 51997.8503 -109590.1487 298.8324 -161587.9990 -109227.0250 298.5821 -235.4939 -205.8971 761577.6101 1.9563 2.0864 PRESSURE: 1521400 -230.698 176.662 212.305 176.662 39.5795 62.5582 212.305 62.5582 -82.2135 GPRESSURE: 1521400 -210.672 297.152 294.339 134.402 61.4424 108.686 230.523 20.328 -34.269 PRESSAVG: 1521400 9.06779 0.137812 29.6695 0.137751 14.4541 14.5191 29.6695 14.5191 5.22275 GPRESSAVG: 1521400 10.397 0.766038 32.4893 0.115629 13.7489 13.618 27.3923 13.1104 4.51987 TIMING: 1521400 CPU: 4793.86, 0.00315866/step Wall: 4793.86, 0.00315866/step, 3.05214 hours remaining, 237.125000 MB of memory in use. ENERGY: 1521400 3957.4110 20617.8943 14408.6314 263.0457 -203829.8522 2831.5924 0.0000 0.0000 52087.3210 -109663.9564 299.3465 -161751.2774 -109299.4838 298.8060 -91.1105 -61.1663 762372.6683 9.5815 9.5553 PRESSURE: 1521600 103.634 34.5758 52.6783 34.5761 177.53 128.003 52.6795 128.003 -279.287 GPRESSURE: 1521600 100.863 -60.0288 15.2547 51.697 255.591 16.3122 -36.4661 116.695 -287.22 PRESSAVG: 1521600 -68.511 -2.38689 -11.6293 -2.38692 78.7378 3.00875 -11.6292 3.00869 -1.53822 GPRESSAVG: 1521600 -69.6703 -1.84334 -16.1656 -1.18301 79.29 0.585057 -10.678 5.12014 -0.89409 TIMING: 1521600 CPU: 4794.49, 0.00314551/step Wall: 4794.49, 0.00314551/step, 3.03926 hours remaining, 237.125000 MB of memory in use. ENERGY: 1521600 3960.0407 20474.5349 14439.1589 257.8888 -203481.2515 2607.7761 0.0000 0.0000 52238.5108 -109503.3412 300.2154 -161741.8521 -109139.1271 299.2340 0.6254 23.0778 759567.6105 2.8962 2.9085 PRESSURE: 1521800 -254.916 76.626 -115.788 76.6258 214.471 -159.02 -115.787 -159.02 -615.56 GPRESSURE: 1521800 -169.261 97.5114 -158.337 130.676 174.059 -154.952 -170.754 -149.988 -579.231 PRESSAVG: 1521800 -5.61899 -2.49368 22.2423 -2.49365 38.9656 -1.64446 22.2424 -1.64448 -11.8226 GPRESSAVG: 1521800 -5.38203 -1.91338 24.6275 -1.27479 39.0761 1.08363 22.6492 -3.01579 -12.1875 TIMING: 1521800 CPU: 4795.11, 0.00314229/step Wall: 4795.11, 0.00314229/step, 3.03597 hours remaining, 237.125000 MB of memory in use. ENERGY: 1521800 4042.6972 20596.6638 14434.6573 222.9868 -203252.4006 2391.0379 0.0000 0.0000 51966.4555 -109597.9021 298.6519 -161564.3577 -109237.4985 299.3817 -218.6683 -191.4776 762045.6542 7.1747 7.1689 PRESSURE: 1522000 128.491 132.365 -29.107 132.363 -39.3375 165.369 -29.1072 165.368 -238.506 GPRESSURE: 1522000 84.5943 121.29 6.54246 82.2858 25.5142 139.162 8.46623 171.063 -169.385 PRESSAVG: 1522000 61.0002 -29.467 9.65384 -29.467 -17.7492 -19.4766 9.65386 -19.4766 -2.54037 GPRESSAVG: 1522000 60.7524 -31.0202 10.5531 -30.3889 -17.8289 -19.3187 8.82875 -21.2923 -3.14954 TIMING: 1522000 CPU: 4795.75, 0.00315309/step Wall: 4795.75, 0.00315309/step, 3.04624 hours remaining, 237.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1522000 4043.1838 20572.2257 14509.8839 242.3270 -203768.5451 2914.5303 0.0000 0.0000 52069.7014 -109416.6931 299.2453 -161486.3945 -109061.3724 299.4098 -49.7844 -19.7589 759538.5030 13.5702 13.2580 PRESSURE: 1522200 -48.963 -420.665 33.1867 -420.666 51.3967 207.009 33.1871 207.01 -253.341 GPRESSURE: 1522200 -87.6979 -341.736 50.6478 -430.127 119.251 140.822 157.903 266.625 -183.521 PRESSAVG: 1522200 21.9194 -55.3186 -10.3046 -55.3186 -29.4592 -16.8926 -10.3046 -16.8925 8.99004 GPRESSAVG: 1522200 21.3468 -54.4032 -10.1804 -52.3503 -29.5752 -16.0591 -9.74399 -17.0766 9.86833 TIMING: 1522200 CPU: 4796.37, 0.00314908/step Wall: 4796.37, 0.00314908/step, 3.04219 hours remaining, 237.125000 MB of memory in use. ENERGY: 1522200 4038.3197 20684.7021 14453.9939 230.1579 -203180.7216 2457.2485 0.0000 0.0000 51915.8297 -109400.4699 298.3610 -161316.2996 -109037.9936 299.3140 -83.6356 -50.6557 760997.3398 0.4834 0.5466 PRESSURE: 1522400 280.808 36.4112 -207.71 36.4116 291.408 170.652 -207.711 170.652 -67.6869 GPRESSURE: 1522400 200.936 4.54205 -273.88 52.7239 424.229 214.166 -155.918 -19.9466 -50.4004 PRESSAVG: 1522400 30.2682 40.5185 -16.3549 40.5184 -42.4774 27.0363 -16.3548 27.0363 19.1876 GPRESSAVG: 1522400 30.7689 40.1634 -17.746 36.4327 -42.8172 26.3476 -15.6936 27.9851 19.4844 TIMING: 1522400 CPU: 4797, 0.00313575/step Wall: 4797, 0.00313575/step, 3.02913 hours remaining, 237.125000 MB of memory in use. ENERGY: 1522400 3993.3918 20669.2945 14463.6731 236.6448 -203465.3491 2749.5659 0.0000 0.0000 51879.1165 -109473.6624 298.1500 -161352.7789 -109115.6205 299.2093 168.1765 191.5882 761384.8699 2.3262 2.4787 PRESSURE: 1522600 -173.757 -64.5448 24.2726 -64.5443 97.8795 -301.385 24.2731 -301.385 431.316 GPRESSURE: 1522600 -13.0452 -156.132 92.4388 -45.6117 55.5767 -351.145 -100.059 -261.488 403.349 PRESSAVG: 1522600 7.57404 -30.0993 -33.7332 -30.0993 -37.5102 -17.6267 -33.7332 -17.6268 -9.80547 GPRESSAVG: 1522600 8.16604 -29.4998 -33.2809 -27.5197 -36.1559 -19.467 -34.8098 -17.5449 -11.293 TIMING: 1522600 CPU: 4797.63, 0.00312854/step Wall: 4797.63, 0.00312854/step, 3.022 hours remaining, 237.125000 MB of memory in use. ENERGY: 1522600 3925.3732 20402.0667 14445.9216 238.4479 -203235.2490 2572.7441 0.0000 0.0000 52220.7529 -109429.9426 300.1134 -161650.6955 -109061.4869 298.8821 118.4797 148.6267 762379.8856 -13.2472 -13.0943 PRESSURE: 1522800 221.767 -183.344 35.0295 -183.344 -147.373 -166.737 35.0295 -166.738 455.298 GPRESSURE: 1522800 196.518 -194.391 -42.1838 -230.969 -109.552 -52.243 28.6771 -205.578 511.126 PRESSAVG: 1522800 15.6459 -48.8045 -43.1029 -48.8044 -2.32397 -15.6324 -43.1028 -15.6324 35.6593 GPRESSAVG: 1522800 16.4205 -49.1022 -41.0533 -50.8946 -3.12435 -13.3371 -43.5379 -15.5281 35.2899 TIMING: 1522800 CPU: 4798.25, 0.00313123/step Wall: 4798.25, 0.00313123/step, 3.02442 hours remaining, 237.125000 MB of memory in use. ENERGY: 1522800 3932.2412 20451.9593 14496.8464 260.4200 -203490.4401 2780.4578 0.0000 0.0000 52122.0318 -109446.4836 299.5460 -161568.5154 -109077.2134 299.5133 176.5640 199.3644 760382.0158 16.3271 16.1953 PRESSURE: 1523000 124.489 -39.6076 -108.234 -39.6067 -75.0531 183.703 -108.234 183.703 248.159 GPRESSURE: 1523000 92.7558 81.8006 -193.949 -10.3247 2.02795 150.96 -193.594 199.03 293.841 PRESSAVG: 1523000 23.9403 -16.6603 -55.4914 -16.6603 -54.835 8.27301 -55.4914 8.27299 -13.7152 GPRESSAVG: 1523000 22.4681 -13.9013 -57.3513 -16.7976 -54.358 6.62603 -56.9135 8.36398 -13.2404 TIMING: 1523000 CPU: 4798.88, 0.00313575/step Wall: 4798.88, 0.00313575/step, 3.02861 hours remaining, 237.125000 MB of memory in use. ENERGY: 1523000 3925.1441 20657.2768 14442.2593 235.6935 -203341.9697 2633.1376 0.0000 0.0000 52148.7477 -109299.7106 299.6996 -161448.4583 -108946.1910 299.3412 99.1982 129.5415 760074.8951 -14.8699 -15.0434 PRESSURE: 1523200 127.496 -277.183 36.6581 -277.185 -180.415 -122.75 36.6576 -122.75 -132.852 GPRESSURE: 1523200 88.239 -263.687 -6.15185 -177.998 -62.388 -142.7 158.566 -129.031 -126.112 PRESSAVG: 1523200 33.789 -45.9643 -31.1827 -45.9643 -4.06366 -25.1179 -31.1827 -25.1179 39.6069 GPRESSAVG: 1523200 33.34 -46.4894 -32.218 -45.4876 -3.71239 -22.9447 -28.3993 -25.5724 40.6048 TIMING: 1523200 CPU: 4799.51, 0.00313359/step Wall: 4799.51, 0.00313358/step, 3.02635 hours remaining, 237.125000 MB of memory in use. ENERGY: 1523200 3999.7920 20594.6065 14454.1183 237.7997 -203021.9045 2566.5694 0.0000 0.0000 51935.5135 -109233.5050 298.4741 -161169.0185 -108873.0392 299.6611 -61.9240 -33.4204 762306.5598 23.1107 23.4108 PRESSURE: 1523400 25.9105 -181.17 40.5637 -181.17 -15.9338 -171.388 40.563 -171.387 -503.942 GPRESSURE: 1523400 34.4121 -185.119 -13.6088 -84.5604 -6.01045 -80.5992 10.1052 -250.12 -457.657 PRESSAVG: 1523400 7.69184 -50.2155 29.1353 -50.2155 23.804 -78.7635 29.1352 -78.7635 -29.2121 GPRESSAVG: 1523400 9.30907 -51.2409 29.7656 -49.2845 23.2351 -79.7463 29.5322 -77.3682 -30.1692 TIMING: 1523400 CPU: 4800.14, 0.00313715/step Wall: 4800.14, 0.00313715/step, 3.02961 hours remaining, 237.125000 MB of memory in use. ENERGY: 1523400 4017.8974 20634.5479 14488.0733 258.8241 -202967.7542 2363.6700 0.0000 0.0000 52067.5562 -109137.1852 299.2330 -161204.7414 -108781.2166 299.6097 -164.6552 -143.0852 762474.3937 0.7613 0.7916 PRESSURE: 1523600 43.545 -46.209 120.761 -46.2085 -250.276 101.435 120.762 101.435 60.171 GPRESSURE: 1523600 -25.9373 -112.753 160.331 28.2321 -128.318 128.513 162.547 14.3507 70.2671 PRESSAVG: 1523600 -43.1655 -90.4868 26.6535 -90.4868 44.0896 8.39651 26.6535 8.39654 23.2463 GPRESSAVG: 1523600 -42.9207 -88.6324 25.4254 -92.3312 42.1393 9.50687 27.7933 7.70889 24.6514 TIMING: 1523600 CPU: 4800.76, 0.00313963/step Wall: 4800.76, 0.00313963/step, 3.03183 hours remaining, 237.125000 MB of memory in use. ENERGY: 1523600 4017.4378 20571.5801 14484.9850 244.5224 -202975.4609 2422.9765 0.0000 0.0000 52209.0690 -109024.8901 300.0462 -161233.9591 -108651.5616 300.1587 -48.8533 -27.9961 762309.5185 8.0568 7.9567 PRESSURE: 1523800 310.352 41.5757 -110.07 41.5759 -139.197 34.8291 -110.069 34.8295 107.497 GPRESSURE: 1523800 263.479 43.9966 -48.0511 -123.205 -26.8237 79.2219 -155.713 170.704 121.625 PRESSAVG: 1523800 -9.81174 -10.5461 32.1828 -10.5461 -19.3787 -15.4191 32.1828 -15.4191 -12.795 GPRESSAVG: 1523800 -10.2272 -11.4088 32.7032 -10.3439 -17.3872 -17.4459 31.3856 -14.4244 -14.3213 TIMING: 1523800 CPU: 4801.39, 0.00313865/step Wall: 4801.39, 0.00313865/step, 3.03072 hours remaining, 237.125000 MB of memory in use. ENERGY: 1523800 4017.6519 20445.9383 14483.9013 229.8931 -203364.2504 2508.2801 0.0000 0.0000 52432.9976 -109245.5881 301.3332 -161678.5857 -108878.4964 300.0565 92.8839 119.4266 760865.7150 -13.9952 -13.9786 PRESSURE: 1524000 -332.433 -46.2156 391.482 -46.215 -371.495 -141.643 391.483 -141.643 -46.2469 GPRESSURE: 1524000 -292.453 -138.853 335.409 -110.837 -374.969 -218.678 283.488 -178.971 8.80113 PRESSAVG: 1524000 29.3905 -14.1049 42.152 -14.1049 -5.15393 8.03107 42.152 8.03117 -8.94726 GPRESSAVG: 1524000 29.8265 -14.7389 42.2002 -14.332 -5.83956 8.23075 42.2021 5.67297 -8.39192 TIMING: 1524000 CPU: 4802.02, 0.00313564/step Wall: 4802.02, 0.00313564/step, 3.02764 hours remaining, 237.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1524000 4044.3686 20713.2717 14486.4335 232.2884 -202924.7262 1918.2205 0.0000 0.0000 52206.6243 -109323.5193 300.0322 -161530.1435 -108953.2447 299.4792 -250.0584 -219.5401 761382.8154 5.0964 5.1983 PRESSURE: 1524200 -170.803 -47.3133 175.086 -47.3134 220.2 -107.404 175.085 -107.404 168.534 GPRESSURE: 1524200 -89.0156 33.089 218.212 51.3526 213.196 -126.733 305.219 -116.495 188.558 PRESSAVG: 1524200 50.3202 -8.91766 79.0333 -8.91767 -10.5276 -46.0188 79.0333 -46.0188 28.2419 GPRESSAVG: 1524200 49.8524 -8.17534 79.6207 -9.49528 -10.3706 -46.4324 77.2259 -43.4382 28.358 TIMING: 1524200 CPU: 4802.65, 0.00315246/step Wall: 4802.65, 0.00315246/step, 3.0437 hours remaining, 237.125000 MB of memory in use. ENERGY: 1524200 3951.1571 20616.7376 14448.8979 247.4848 -203504.5407 2705.7990 0.0000 0.0000 52362.8278 -109171.6365 300.9299 -161534.4643 -108801.5705 299.9997 72.6436 104.2461 760511.7259 22.6782 22.6132 LDB: ============= START OF LOAD BALANCING ============== 4815.05 LDB: ============== END OF LOAD BALANCING =============== 4815.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4815.05 LDB: ============= START OF LOAD BALANCING ============== 4815.36 LDB: Largest compute 7068 load 0.032010 is 16.3% of average load 0.195989 LDB: Average compute 0.004368 is 2.2% of average load 0.195989 LDB: TIME 4815.36 LOAD: AVG 0.195989 MAX 0.215078 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.66 MB LDB: TIME 4815.37 LOAD: AVG 0.195989 MAX 0.215078 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: TIME 4815.37 LOAD: AVG 0.195989 MAX 0.215078 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: ============== END OF LOAD BALANCING =============== 4815.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4815.37 PRESSURE: 1524400 -261.258 -79.8116 63.3304 -79.8118 -418.584 14.5136 63.3305 14.5134 116.673 GPRESSURE: 1524400 -299.618 -19.6474 79.0327 -142.085 -393.157 -30.7374 42.3077 87.047 216.786 PRESSAVG: 1524400 -17.6515 -34.4431 61.4344 -34.4431 -29.0101 -22.0006 61.4345 -22.0005 -7.18423 GPRESSAVG: 1524400 -18.2165 -35.7481 62.1546 -33.0008 -28.8043 -22.5634 62.6558 -23.0272 -6.78628 TIMING: 1524400 CPU: 4803.29, 0.00320474/step Wall: 4803.29, 0.00320474/step, 3.094 hours remaining, 237.898438 MB of memory in use. ENERGY: 1524400 3979.5855 20647.0380 14517.9967 248.8561 -203293.6283 2313.0111 0.0000 0.0000 52158.1249 -109429.0160 299.7535 -161587.1409 -109050.5460 299.7710 -187.7228 -158.6631 762470.3843 -17.9486 -17.9357 PRESSURE: 1524600 224.749 -83.1756 262.078 -83.1759 -197.331 -47.3013 262.078 -47.301 -134.344 GPRESSURE: 1524600 153.265 4.04019 280.117 -74.269 18.6263 -2.94249 79.7895 26.0046 -193.251 PRESSAVG: 1524600 0.326054 29.4358 2.92062 29.4358 -15.9107 -3.51289 2.92061 -3.51285 -23.5128 GPRESSAVG: 1524600 0.487316 29.5105 2.31189 27.7945 -14.4482 -2.67277 3.77292 -3.45395 -24.5074 TIMING: 1524600 CPU: 4803.91, 0.00312447/step Wall: 4803.91, 0.00312447/step, 3.01633 hours remaining, 237.898438 MB of memory in use. ENERGY: 1524600 4011.0412 20685.3228 14488.2758 241.8075 -203572.8581 2837.6068 0.0000 0.0000 52000.4166 -109308.3874 298.8471 -161308.8040 -108947.8468 299.4938 -35.6421 -7.1200 762856.7952 -13.0325 -12.8228 PRESSURE: 1524800 -68.4678 -101.846 243.813 -101.846 176.913 112.864 243.813 112.864 -106.856 GPRESSURE: 1524800 -109.119 -37.9193 277.446 -143.594 186.481 155.257 121.612 103.082 -27.9636 PRESSAVG: 1524800 -6.0891 -20.2589 -21.5668 -20.259 33.2166 -2.73598 -21.5668 -2.73597 9.31064 GPRESSAVG: 1524800 -7.15718 -20.1466 -20.1672 -20.5776 31.5449 -3.33255 -22.6888 -2.89506 11.9501 TIMING: 1524800 CPU: 4804.54, 0.00312101/step Wall: 4804.54, 0.00312101/step, 3.01281 hours remaining, 237.898438 MB of memory in use. ENERGY: 1524800 3967.2501 20528.0020 14373.1075 243.9216 -203197.1900 2474.5910 0.0000 0.0000 52329.9472 -109280.3707 300.7409 -161610.3178 -108913.2149 299.5496 0.5298 16.4660 761195.7556 12.1460 12.1126 PRESSURE: 1525000 -249.146 -18.2475 -190.7 -18.2461 -197.781 -132.612 -190.699 -132.613 -507.611 GPRESSURE: 1525000 -265.297 148.608 -121.385 -53.7985 -101.428 -148.726 -113.943 -76.3199 -536.413 PRESSAVG: 1525000 19.5478 -22.6383 -48.0879 -22.6382 -31.7948 27.46 -48.0879 27.4601 1.92955 GPRESSAVG: 1525000 20.2518 -20.9019 -49.7952 -21.2502 -30.5355 27.9832 -46.926 28.656 0.116442 TIMING: 1525000 CPU: 4805.16, 0.0031228/step Wall: 4805.16, 0.0031228/step, 3.01437 hours remaining, 237.898438 MB of memory in use. ENERGY: 1525000 4036.7773 20652.4509 14501.3610 233.7623 -203165.6280 2415.7774 0.0000 0.0000 52062.9071 -109262.5919 299.2062 -161325.4990 -108902.7184 299.6650 -318.1793 -301.0461 763548.8836 -3.4391 -3.3891 PRESSURE: 1525200 -182.022 -306.238 -141.576 -306.238 -21.1778 168.907 -141.576 168.907 -252.165 GPRESSURE: 1525200 -132.506 -269.502 -104.705 -208.25 -19.6971 114.266 -144.934 119.249 -214.097 PRESSAVG: 1525200 33.2152 -26.4074 -4.54697 -26.4074 -43.0344 13.7571 -4.54697 13.7571 12.0343 GPRESSAVG: 1525200 32.8553 -28.2304 -3.30179 -24.3828 -43.5207 14.7792 -4.79963 12.6109 12.7906 TIMING: 1525200 CPU: 4805.79, 0.0031185/step Wall: 4805.79, 0.0031185/step, 3.01005 hours remaining, 237.898438 MB of memory in use. ENERGY: 1525200 4048.0593 20566.2594 14415.4463 272.3494 -203299.8081 2445.4162 0.0000 0.0000 52271.6354 -109280.6422 300.4058 -161552.2776 -108917.1587 299.5537 -151.7883 -122.1002 762778.1078 0.7384 0.7084 PRESSURE: 1525400 338.409 74.3051 7.09127 74.3048 95.1351 -490.621 7.09184 -490.622 303.965 GPRESSURE: 1525400 292.214 91.2628 15.3827 51.8799 197.481 -453.898 55.1984 -448.776 344.882 PRESSAVG: 1525400 27.8265 -58.75 -13.638 -58.7501 2.32181 24.9638 -13.638 24.9637 -21.2163 GPRESSAVG: 1525400 27.7716 -59.4278 -13.8254 -61.4451 1.97668 24.1834 -13.7141 24.8457 -20.84 TIMING: 1525400 CPU: 4806.41, 0.00311914/step Wall: 4806.41, 0.00311914/step, 3.01049 hours remaining, 237.898438 MB of memory in use. ENERGY: 1525400 4008.8400 20511.8042 14484.8771 264.1935 -203416.7147 2548.6447 0.0000 0.0000 52265.8961 -109332.4590 300.3728 -161598.3551 -108974.3719 299.9266 245.8362 278.1923 761231.6315 2.9773 2.9694 PRESSURE: 1525600 -236.487 -43.2062 213.378 -43.2061 -262.621 255.537 213.378 255.536 -168.985 GPRESSURE: 1525600 -205.165 5.38953 186.821 -28.4205 -177.37 268.952 262.52 150.896 -202.392 PRESSAVG: 1525600 63.6325 -31.4443 -2.24047 -31.4442 -30.5949 -0.659925 -2.2404 -0.659878 8.18545 GPRESSAVG: 1525600 63.3297 -30.1861 -2.41559 -29.773 -29.4345 -0.604428 -2.4901 0.882082 7.65577 TIMING: 1525600 CPU: 4807.04, 0.00313625/step Wall: 4807.04, 0.00313625/step, 3.02683 hours remaining, 237.898438 MB of memory in use. ENERGY: 1525600 4100.2085 20551.3699 14520.7664 243.4092 -203212.8726 2303.5678 0.0000 0.0000 52193.0975 -109300.4534 299.9544 -161493.5508 -108943.1608 299.6199 -222.6978 -194.9759 761305.5403 13.7410 13.8503 PRESSURE: 1525800 -155.85 -58.4188 -163.023 -58.4188 -63.9896 -40.0341 -163.023 -40.0348 -28.3347 GPRESSURE: 1525800 -203.901 -46.0693 -101.269 16.9488 -4.35611 -79.9335 -189.355 -7.83849 37.5968 PRESSAVG: 1525800 -4.69211 11.4361 -12.6951 11.4361 -15.6452 36.4978 -12.6951 36.4978 1.92625 GPRESSAVG: 1525800 -6.21023 9.89386 -13.6406 10.7691 -15.1997 35.7404 -12.4562 34.827 2.66845 TIMING: 1525800 CPU: 4807.67, 0.00313868/step Wall: 4807.67, 0.00313868/step, 3.029 hours remaining, 237.898438 MB of memory in use. ENERGY: 1525800 4073.4730 20524.4910 14460.6712 250.1100 -203435.8123 2726.1315 0.0000 0.0000 52064.2216 -109336.7140 299.2138 -161400.9356 -108967.3219 299.6616 -82.7248 -56.8868 761652.9185 -6.1370 -6.2472 PRESSURE: 1526000 153.173 -42.8638 23.7706 -42.8643 -337.033 -127.589 23.7702 -127.589 245.944 GPRESSURE: 1526000 186.171 -54.8031 -6.28491 2.24463 -246.605 -188.833 -83.6094 -131.141 208.382 PRESSAVG: 1526000 -5.45866 10.8747 -3.65115 10.8747 -20.0027 44.8663 -3.65117 44.8663 -2.00838 GPRESSAVG: 1526000 -2.17208 12.8936 -3.31609 12.0255 -22.2864 45.7561 -1.76645 45.1029 -2.80666 TIMING: 1526000 CPU: 4808.29, 0.00313939/step Wall: 4808.29, 0.00313939/step, 3.02951 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1526000 3939.5618 20474.5551 14531.0697 237.8984 -203285.5202 2415.0851 0.0000 0.0000 52162.4163 -109524.9337 299.7781 -161687.3501 -109155.8341 299.4724 20.6946 49.3162 760979.1085 -9.1566 -9.0884 PRESSURE: 1526200 -123.582 -68.8727 -137.425 -68.872 -211.245 239.838 -137.426 239.837 184.653 GPRESSURE: 1526200 -75.3582 -110.213 -14.755 -183.498 -185.901 212.317 -174.474 129.275 210.435 PRESSAVG: 1526200 56.6496 -0.238571 -31.5668 -0.238564 -99.3724 -2.89393 -31.5667 -2.89397 -3.46974 GPRESSAVG: 1526200 54.6325 -1.27649 -30.4446 -2.55881 -97.3554 -3.12454 -32.4405 -4.53757 -3.29497 TIMING: 1526200 CPU: 4808.92, 0.00313447/step Wall: 4808.92, 0.00313447/step, 3.02459 hours remaining, 237.898438 MB of memory in use. ENERGY: 1526200 4030.6715 20480.6782 14515.6094 237.3600 -203556.7658 2589.2048 0.0000 0.0000 52166.7708 -109536.4709 299.8031 -161703.2417 -109184.5855 299.2972 -50.0578 -16.9413 762147.7359 -15.3975 -15.3393 PRESSURE: 1526400 -7.58973 196.229 104.061 196.229 96.4957 62.0626 104.061 62.0624 195.384 GPRESSURE: 1526400 56.1263 141.939 77.3001 -44.348 167.583 23.9916 107.098 188.135 151.216 PRESSAVG: 1526400 89.2639 12.4676 16.3312 12.4677 -42.247 12.2647 16.3313 12.2647 -4.49186 GPRESSAVG: 1526400 88.9656 13.4347 15.4009 14.0903 -43.5543 11.6237 14.7661 12.6564 -3.41831 TIMING: 1526400 CPU: 4809.55, 0.00314186/step Wall: 4809.55, 0.00314186/step, 3.03154 hours remaining, 237.898438 MB of memory in use. ENERGY: 1526400 3946.7978 20572.8567 14452.0838 256.3061 -203549.6903 2706.5752 0.0000 0.0000 52019.7035 -109595.3672 298.9580 -161615.0707 -109232.8174 299.2595 94.7633 124.9752 761673.5433 14.1750 13.9977 PRESSURE: 1526600 -174.734 50.9468 -283.673 50.9455 266.982 15.006 -283.673 15.006 182.157 GPRESSURE: 1526600 -41.0011 79.7173 -238.101 76.1718 206.654 73.3994 -250.683 -2.26659 179.126 PRESSAVG: 1526600 38.8293 58.1692 -33.7847 58.1692 -1.56158 -24.2733 -33.7847 -24.2733 4.25134 GPRESSAVG: 1526600 38.9963 57.5761 -31.5962 57.8943 -1.39888 -22.621 -34.5178 -22.8433 3.91492 TIMING: 1526600 CPU: 4810.17, 0.00312617/step Wall: 4810.17, 0.00312617/step, 3.01624 hours remaining, 237.898438 MB of memory in use. ENERGY: 1526600 4013.5477 20545.6768 14470.7716 222.8543 -203466.0950 2662.5366 0.0000 0.0000 51889.8360 -109660.8720 298.2116 -161550.7080 -109300.4990 299.1496 91.4684 114.9261 762430.3073 13.8397 13.8375 PRESSURE: 1526800 -174.217 219.847 -20.6841 219.846 -19.7391 211.65 -20.6849 211.65 -388.858 GPRESSURE: 1526800 -174.605 220.824 -94.0966 216.242 17.7414 212.147 48.8898 199.835 -319.616 PRESSAVG: 1526800 -4.00269 64.6802 -29.3466 64.6802 -33.9983 25.6812 -29.3465 25.6813 1.83227 GPRESSAVG: 1526800 -3.34309 64.0408 -29.0647 65.0082 -34.0623 24.3602 -29.3002 26.4492 1.46653 TIMING: 1526800 CPU: 4810.8, 0.00313315/step Wall: 4810.8, 0.00313315/step, 3.02279 hours remaining, 237.898438 MB of memory in use. ENERGY: 1526800 4019.7907 20559.0115 14520.0324 254.2696 -203879.3115 2868.2474 0.0000 0.0000 51867.7651 -109790.1949 298.0848 -161657.9600 -109422.9467 298.8578 -194.2714 -158.8265 762353.2802 -12.0562 -11.9796 PRESSURE: 1527000 -11.0159 -46.1354 -1.14856 -46.1353 413.055 -44.4834 -1.14821 -44.4818 135.974 GPRESSURE: 1527000 -28.5451 -64.707 -33.1402 -191.921 483.541 45.3383 139.649 -34.0142 156.827 PRESSAVG: 1527000 5.13063 -31.5838 7.36643 -31.5837 -60.8863 -8.77364 7.36646 -8.77372 11.2147 GPRESSAVG: 1527000 4.78327 -29.9368 5.67277 -33.5553 -60.7967 -6.13635 10.1195 -10.8006 11.547 TIMING: 1527000 CPU: 4811.43, 0.00314972/step Wall: 4811.43, 0.00314972/step, 3.0386 hours remaining, 237.898438 MB of memory in use. ENERGY: 1527000 3938.0069 20336.1227 14534.1498 260.8326 -203615.4240 2563.5658 0.0000 0.0000 52107.0004 -109875.7458 299.4596 -161982.7462 -109522.8896 298.4504 179.3380 203.9409 761897.9029 -14.8470 -14.8222 PRESSURE: 1527200 -65.4486 -53.787 -65.1378 -53.7879 10.8099 -60.9041 -65.1382 -60.905 -216.795 GPRESSURE: 1527200 11.3789 -91.7681 -46.1758 108.363 -8.07988 -58.3622 -42.687 -57.655 -197.378 PRESSAVG: 1527200 15.444 -0.710194 47.277 -0.7101 19.7674 -35.8692 47.2771 -35.8692 -27.2353 GPRESSAVG: 1527200 15.7902 -2.88529 46.6965 2.57357 20.239 -38.6381 46.6418 -33.4471 -27.4943 TIMING: 1527200 CPU: 4812.06, 0.00312812/step Wall: 4812.06, 0.00312812/step, 3.01759 hours remaining, 237.898438 MB of memory in use. ENERGY: 1527200 4001.2098 20350.5112 14550.1401 260.1682 -203476.4683 2624.5363 0.0000 0.0000 52037.1896 -109652.7131 299.0584 -161689.9027 -109282.6015 298.5033 -90.4779 -64.6930 762243.3752 2.6587 2.8450 PRESSURE: 1527400 156.456 -125.575 -96.9146 -125.575 -27.4807 303.698 -96.9153 303.698 -63.1382 GPRESSURE: 1527400 104.591 -112.98 -22.3114 -114.414 97.223 233.381 -134.814 252.619 -60.1987 PRESSAVG: 1527400 -9.45683 4.19763 70.4132 4.19767 37.5129 17.6613 70.4132 17.6613 8.80014 GPRESSAVG: 1527400 -10.2908 5.84803 69.7307 0.463816 37.21 17.5131 68.8616 15.5637 9.49517 TIMING: 1527400 CPU: 4812.69, 0.00314482/step Wall: 4812.69, 0.00314482/step, 3.03353 hours remaining, 237.898438 MB of memory in use. ENERGY: 1527400 3930.3007 20626.4605 14512.7411 245.2100 -203396.5804 2367.1933 0.0000 0.0000 51927.2921 -109787.3827 298.4269 -161714.6748 -109434.5742 298.3419 21.9457 47.2052 761817.2829 12.2854 12.1381 PRESSURE: 1527600 153.77 104.079 -112.863 104.079 61.3833 -61.095 -112.863 -61.0953 211.29 GPRESSURE: 1527600 161.929 67.2826 -78.8385 109.893 51.4657 -81.7445 -88.908 -117.242 289.863 PRESSAVG: 1527600 16.8737 -6.68561 3.89583 -6.68557 18.2215 3.61008 3.8958 3.6101 11.5127 GPRESSAVG: 1527600 18.2924 -7.65483 5.17334 -3.64902 16.5191 5.3386 5.01762 3.53347 11.332 TIMING: 1527600 CPU: 4813.31, 0.00313133/step Wall: 4813.31, 0.00313133/step, 3.02034 hours remaining, 237.898438 MB of memory in use. ENERGY: 1527600 3909.5225 20454.5659 14495.0956 240.3448 -203518.4483 2625.6684 0.0000 0.0000 51865.9149 -109927.3363 298.0741 -161793.2512 -109570.0361 298.7739 142.1477 167.7527 760463.0751 15.5360 15.3812 PRESSURE: 1527800 24.461 168.052 87.9302 168.051 52.9018 -118.01 87.9301 -118.011 -259.567 GPRESSURE: 1527800 99.1076 74.3713 108.483 176.995 74.7727 -114.92 156.335 -180.067 -230 PRESSAVG: 1527800 36.3377 15.7748 15.7864 15.7748 -13.0791 11.4857 15.7864 11.4857 -5.5556 GPRESSAVG: 1527800 35.5721 15.0841 16.3258 15.604 -11.215 9.92737 16.6537 12.6211 -6.13029 TIMING: 1527800 CPU: 4813.94, 0.00313496/step Wall: 4813.94, 0.00313496/step, 3.02367 hours remaining, 237.898438 MB of memory in use. ENERGY: 1527800 4065.6830 20450.8328 14496.0413 253.7556 -203514.2237 2594.8148 0.0000 0.0000 51789.8071 -109863.2890 297.6367 -161653.0961 -109515.5861 298.8270 -60.7347 -18.7065 759977.2887 5.9010 6.0756 PRESSURE: 1528000 -44.4818 83.3869 335.615 83.3869 92.5319 280.342 335.614 280.342 -3.96214 GPRESSURE: 1528000 15.4844 50.1803 416.655 -39.6428 162.159 326.925 295.43 165.632 -41.919 PRESSAVG: 1528000 17.583 -8.09318 8.9605 -8.09316 22.4584 -33.6584 8.96052 -33.6583 15.8838 GPRESSAVG: 1528000 17.6706 -7.73444 7.61493 -9.7941 22.6436 -32.353 8.47252 -34.1862 15.9486 TIMING: 1528000 CPU: 4814.56, 0.00312503/step Wall: 4814.56, 0.00312503/step, 3.01391 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1528000 3984.1292 20419.9039 14448.1747 223.2362 -203478.0680 2601.5188 0.0000 0.0000 51878.1638 -109922.9414 298.1445 -161801.1052 -109559.5114 299.0313 14.6960 45.2416 759588.5613 18.6418 18.7543 PRESSURE: 1528200 287.145 119.548 -90.5129 119.548 402.481 -154.459 -90.5139 -154.459 210.448 GPRESSURE: 1528200 373.822 53.3139 -70.9032 123.532 354.864 -193.548 -174.445 -128.729 242.741 PRESSAVG: 1528200 -8.70848 -13.3043 20.678 -13.3042 -7.96483 34.5844 20.678 34.5845 -7.48536 GPRESSAVG: 1528200 -9.01394 -14.4212 21.6325 -12.9103 -7.85308 34.0988 19.927 32.6116 -7.44476 TIMING: 1528200 CPU: 4815.19, 0.00312814/step Wall: 4815.19, 0.00312814/step, 3.01674 hours remaining, 237.898438 MB of memory in use. ENERGY: 1528200 3968.4599 20299.4229 14406.7854 248.5655 -203720.7741 2907.2073 0.0000 0.0000 51981.4030 -109908.9301 298.7378 -161890.3331 -109548.6016 298.7185 300.0244 323.8091 759366.2883 -8.0529 -8.1039 LDB: ============= START OF LOAD BALANCING ============== 4827.58 LDB: ============== END OF LOAD BALANCING =============== 4827.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4827.59 LDB: ============= START OF LOAD BALANCING ============== 4827.9 LDB: Largest compute 7056 load 0.032013 is 16.3% of average load 0.196154 LDB: Average compute 0.004358 is 2.2% of average load 0.196154 LDB: TIME 4827.9 LOAD: AVG 0.196154 MAX 0.21569 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 4827.9 LOAD: AVG 0.196154 MAX 0.21569 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: TIME 4827.9 LOAD: AVG 0.196154 MAX 0.21569 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: ============== END OF LOAD BALANCING =============== 4827.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4827.91 PRESSURE: 1528400 -165.458 -6.85374 66.4428 -6.85422 -75.9811 52.2586 66.4424 52.2595 170.613 GPRESSURE: 1528400 -89.6962 73.0603 110.299 47.8122 -58.2773 49.7677 135.682 -13.9653 130.628 PRESSAVG: 1528400 9.28625 -44.6076 -5.46075 -44.6077 0.773479 12.2348 -5.46071 12.2349 8.31608 GPRESSAVG: 1528400 9.51594 -42.5255 -7.08933 -45.3 -0.571096 11.6458 -4.52106 15.6895 9.13123 TIMING: 1528400 CPU: 4815.83, 0.00318084/step Wall: 4815.83, 0.00318084/step, 3.06739 hours remaining, 238.207031 MB of memory in use. ENERGY: 1528400 4000.3362 20264.5442 14462.4054 237.4465 -203403.6430 2329.2909 0.0000 0.0000 52049.1750 -110060.4448 299.1273 -162109.6198 -109689.7487 298.2733 -23.6086 -5.7817 759900.1367 6.1253 6.0254 PRESSURE: 1528600 257.011 39.2327 34.8459 39.2327 128.095 111.034 34.8464 111.033 -62.2 GPRESSURE: 1528600 178.232 83.1133 17.0893 -43.1576 199.663 106.28 37.9034 194.719 23.9744 PRESSAVG: 1528600 4.76697 -19.6076 -2.79848 -19.6076 6.89794 -0.782518 -2.79846 -0.782472 18.4057 GPRESSAVG: 1528600 5.70792 -21.963 -1.43046 -19.2941 6.58487 -0.274753 -5.82382 -2.75191 17.4058 TIMING: 1528600 CPU: 4816.45, 0.00312823/step Wall: 4816.45, 0.00312823/step, 3.01648 hours remaining, 238.410156 MB of memory in use. ENERGY: 1528600 3992.4588 20433.4125 14429.0231 244.1395 -203814.5885 2834.7675 0.0000 0.0000 52035.9093 -109844.8779 299.0511 -161880.7872 -109488.4589 297.9760 107.6354 133.9564 760937.6362 10.0235 9.8995 PRESSURE: 1528800 -112.742 36.368 136.883 36.3681 87.1443 -119.355 136.883 -119.355 -400.808 GPRESSURE: 1528800 -0.314566 76.6327 191.23 19.1174 -36.1144 -40.9559 177.738 -53.0779 -310.234 PRESSAVG: 1528800 -4.85931 -31.8201 110.714 -31.8201 -4.77855 -8.39578 110.714 -8.39578 -19.5583 GPRESSAVG: 1528800 -6.17288 -32.4936 108.848 -29.801 -4.02908 -8.67273 112.47 -6.57956 -18.705 TIMING: 1528800 CPU: 4817.08, 0.0031246/step Wall: 4817.08, 0.0031246/step, 3.01281 hours remaining, 238.410156 MB of memory in use. ENERGY: 1528800 3979.6908 20425.3309 14380.3332 255.7801 -203463.8021 2441.6780 0.0000 0.0000 52275.9046 -109705.0845 300.4303 -161980.9891 -109341.4149 298.6611 -142.1353 -115.5545 762059.0363 -9.7320 -9.6357 PRESSURE: 1529000 297.863 69.6827 -35.8359 69.6828 -308.336 43.6772 -35.8353 43.6774 -121.547 GPRESSURE: 1529000 259.121 102.642 -85.9837 37.2243 -171.548 -10.7837 7.9355 79.5867 -126.894 PRESSAVG: 1529000 -31.7707 -24.4046 20.9886 -24.4046 5.99933 11.8498 20.9886 11.8497 -4.83629 GPRESSAVG: 1529000 -31.0868 -21.6574 21.5462 -25.3283 5.93838 11.2772 21.5916 11.611 -5.48794 TIMING: 1529000 CPU: 4817.7, 0.00314489/step Wall: 4817.7, 0.00314489/step, 3.0322 hours remaining, 238.410156 MB of memory in use. ENERGY: 1529000 4044.2068 20407.3259 14523.5630 228.3599 -203346.4252 2594.4286 0.0000 0.0000 51901.6189 -109646.9221 298.2793 -161548.5410 -109288.1017 299.0051 -44.0065 -13.1071 762556.7439 -10.2025 -10.2121 PRESSURE: 1529200 -333.415 -265.758 180.985 -265.757 36.4895 -73.0627 180.985 -73.063 244.909 GPRESSURE: 1529200 -258.994 -252.887 234.901 -252.151 38.784 -62.2172 239.615 -93.9272 255.882 PRESSAVG: 1529200 31.4103 -53.2109 -38.7349 -53.2109 12.0229 26.9222 -38.7348 26.9222 2.16599 GPRESSAVG: 1529200 30.2091 -54.638 -38.774 -52.2789 13.2182 27.5364 -36.8089 25.4022 1.99171 TIMING: 1529200 CPU: 4818.33, 0.00312004/step Wall: 4818.33, 0.00312004/step, 3.00806 hours remaining, 238.410156 MB of memory in use. ENERGY: 1529200 4020.5436 20442.3548 14430.9074 236.6491 -203302.5083 2579.7598 0.0000 0.0000 52010.7963 -109581.4973 298.9068 -161592.2936 -109211.9401 299.3735 -17.3387 11.8905 762820.5932 15.1997 15.1397 PRESSURE: 1529400 -50.0469 72.4889 4.4657 72.4889 -347.008 179.025 4.46503 179.024 68.5589 GPRESSURE: 1529400 62.5495 19.6916 -14.2509 6.81416 -364.94 115.701 -72.9809 155.624 71.8528 PRESSAVG: 1529400 23.5299 14.9952 44.5695 14.9952 -47.8237 6.85578 44.5696 6.85582 22.0126 GPRESSAVG: 1529400 25.3054 13.9396 45.1693 12.9538 -48.7306 6.26229 42.2891 7.88841 22.2257 TIMING: 1529400 CPU: 4818.96, 0.00313225/step Wall: 4818.96, 0.00313225/step, 3.01966 hours remaining, 238.410156 MB of memory in use. ENERGY: 1529400 3963.3788 20564.4939 14535.4486 251.7020 -203717.1574 2928.1672 0.0000 0.0000 51811.1080 -109662.8589 297.7591 -161473.9669 -109303.4073 299.1367 -109.4987 -76.8460 762912.7649 -0.7604 -0.3998 PRESSURE: 1529600 -35.8276 209.006 -189.148 209.006 -239.365 -103.732 -189.148 -103.732 422.701 GPRESSURE: 1529600 -1.16194 172.985 -111.227 248.007 -151.689 -153.218 -104.226 -15.9317 381.084 PRESSAVG: 1529600 33.4294 -31.633 37.5551 -31.633 -24.3948 -21.8281 37.5551 -21.8282 -10.5517 GPRESSAVG: 1529600 34.6704 -31.2426 35.6986 -30.3887 -25.2848 -21.0785 37.5325 -23.2439 -11.4465 TIMING: 1529600 CPU: 4819.58, 0.00313769/step Wall: 4819.58, 0.00313769/step, 3.02474 hours remaining, 238.410156 MB of memory in use. ENERGY: 1529600 3984.7186 20425.1857 14509.8965 270.8261 -203492.7940 2663.2538 0.0000 0.0000 52140.9534 -109497.9599 299.6548 -161638.9133 -109132.6928 298.7487 49.1694 76.0777 762790.4514 -0.5057 -0.6870 PRESSURE: 1529800 -312.011 -138.293 125.766 -138.293 -104.819 132.288 125.765 132.287 111.153 GPRESSURE: 1529800 -305.719 -119.558 156.508 -221.24 -50.7731 118.89 116.07 59.3766 154.383 PRESSAVG: 1529800 40.4862 -19.984 -23.9693 -19.984 -48.8015 1.58469 -23.9694 1.58461 -7.17642 GPRESSAVG: 1529800 38.9137 -17.7596 -21.8174 -21.025 -48.885 1.44972 -23.7218 2.16974 -5.92789 TIMING: 1529800 CPU: 4820.21, 0.00314364/step Wall: 4820.21, 0.00314364/step, 3.0303 hours remaining, 238.410156 MB of memory in use. ENERGY: 1529800 3909.6735 20462.6772 14500.1728 238.3203 -203173.3912 2382.5641 0.0000 0.0000 51973.3602 -109706.6231 298.6916 -161679.9833 -109352.7586 298.5522 -101.8925 -67.3697 761012.8116 -5.1639 -5.2997 PRESSURE: 1530000 -194.873 205.448 40.487 205.447 364.577 -154.404 40.4884 -154.404 192.225 GPRESSURE: 1530000 -205.658 120.66 13.7788 275.995 511.341 -167.447 72.0679 -167.713 138.195 PRESSAVG: 1530000 -28.4575 -2.05946 -34.493 -2.05952 -43.8081 -62.5702 -34.4931 -62.5703 20.7661 GPRESSAVG: 1530000 -29.3226 -4.42797 -34.0982 -0.728526 -42.6216 -62.602 -34.1721 -61.7484 20.047 TIMING: 1530000 CPU: 4820.84, 0.0031406/step Wall: 4820.84, 0.0031406/step, 3.02719 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1530000 4011.4148 20385.2157 14466.1441 241.3462 -203443.3134 2509.7998 0.0000 0.0000 52186.7624 -109642.6304 299.9180 -161829.3928 -109280.6789 298.8247 120.6430 147.9594 759510.3752 -17.1665 -17.2991 PRESSURE: 1530200 -74.2858 -168.634 -3.94673 -168.634 22.944 132.982 -3.94684 132.982 54.3196 GPRESSURE: 1530200 -106.107 -242.065 37.639 -113.76 146.861 121.59 -14.0304 110.653 40.0656 PRESSAVG: 1530200 9.2222 2.05689 5.85192 2.05693 -5.10828 -56.2319 5.8519 -56.2319 -19.4479 GPRESSAVG: 1530200 9.50387 3.75901 4.65087 1.30641 -5.11255 -56.2276 5.75359 -55.2523 -20.0413 TIMING: 1530200 CPU: 4821.47, 0.00314607/step Wall: 4821.47, 0.00314607/step, 3.03228 hours remaining, 238.410156 MB of memory in use. ENERGY: 1530200 3913.6274 20561.7749 14436.7558 255.2667 -203400.2057 2621.0911 0.0000 0.0000 52117.1891 -109494.5008 299.5182 -161611.6899 -109129.0372 299.4785 0.9926 26.9398 761209.5650 -5.1113 -5.2167 PRESSURE: 1530400 -63.6007 196.983 -109.617 196.983 398.993 -113.487 -109.617 -113.486 -110.141 GPRESSURE: 1530400 -74.9175 148.872 -45.8802 220.725 384.976 -56.0972 -182.042 -20.7202 -12.1283 PRESSAVG: 1530400 -23.35 -14.3585 -21.0181 -14.3585 34.5326 -8.32083 -21.0181 -8.32083 -26.5768 GPRESSAVG: 1530400 -24.081 -14.6585 -19.6904 -14.8973 33.8199 -7.02541 -18.7808 -8.36537 -25.2764 TIMING: 1530400 CPU: 4822.1, 0.00314193/step Wall: 4822.1, 0.00314193/step, 3.02812 hours remaining, 238.410156 MB of memory in use. ENERGY: 1530400 3987.5347 20599.9497 14492.6706 248.4309 -203511.9177 2712.0913 0.0000 0.0000 51982.2357 -109489.0048 298.7426 -161471.2405 -109129.2114 299.2891 75.0836 99.3100 761568.2265 -5.1314 -5.1792 PRESSURE: 1530600 -163.14 87.4585 -152.57 87.4584 -274.427 27.2851 -152.57 27.2854 -513.015 GPRESSURE: 1530600 -190.268 142.615 -257.088 138.161 -219.646 51.6483 -176.254 -104.459 -458.482 PRESSAVG: 1530600 -38.2935 37.7747 -50.7408 37.7746 23.3241 6.06487 -50.7408 6.06494 -9.73076 GPRESSAVG: 1530600 -38.4374 37.542 -52.9485 38.3304 24.747 4.98774 -51.5734 5.89514 -11.056 TIMING: 1530600 CPU: 4822.72, 0.00313512/step Wall: 4822.72, 0.00313512/step, 3.02139 hours remaining, 238.410156 MB of memory in use. ENERGY: 1530600 4067.3457 20354.7441 14497.3411 250.2142 -203489.0884 2819.6385 0.0000 0.0000 52114.4237 -109385.3811 299.5023 -161499.8048 -109018.3784 299.4852 -316.8606 -289.4651 762759.5831 -8.2334 -8.2488 PRESSURE: 1530800 -327.555 163.937 214.449 163.938 -53.0473 -103.26 214.449 -103.259 102.019 GPRESSURE: 1530800 -171.667 109.69 279.876 90.5407 -148.244 -59.6621 99.5807 43.1473 137.872 PRESSAVG: 1530800 32.8443 58.5345 10.903 58.5345 12.3358 -43.239 10.903 -43.2389 -18.5238 GPRESSAVG: 1530800 34.5817 56.801 10.8876 59.519 11.3726 -43.5525 10.0682 -42.357 -18.8982 TIMING: 1530800 CPU: 4823.35, 0.00314956/step Wall: 4823.35, 0.00314956/step, 3.03512 hours remaining, 238.410156 MB of memory in use. ENERGY: 1530800 4010.9895 20518.9522 14412.5699 244.7097 -203142.7727 2597.1438 0.0000 0.0000 51831.3841 -109527.0234 297.8757 -161358.4075 -109166.3140 299.3599 -92.8613 -60.6795 762824.9693 8.8854 9.0187 PRESSURE: 1531000 181.492 -4.34574 248.86 -4.34502 294.189 -144.684 248.86 -144.684 -33.0135 GPRESSURE: 1531000 172.162 -42.1271 179.291 114.06 303.69 -112.034 182.545 0.0464865 26.7036 PRESSAVG: 1531000 -34.5658 -6.15159 31.0347 -6.1516 48.0547 37.3533 31.0347 37.3533 10.7418 GPRESSAVG: 1531000 -36.8583 -4.5989 31.754 -6.72263 47.0454 38.6931 31.3134 37.3225 13.7629 TIMING: 1531000 CPU: 4823.98, 0.00313877/step Wall: 4823.98, 0.00313877/step, 3.02456 hours remaining, 238.410156 MB of memory in use. ENERGY: 1531000 3947.6279 20405.0363 14421.1261 244.0611 -203642.0849 2666.6475 0.0000 0.0000 52390.3341 -109567.2518 301.0880 -161957.5859 -109192.6994 298.8003 147.5557 167.5184 761594.6062 8.0769 7.9833 PRESSURE: 1531200 83.0289 -63.7745 178.87 -63.7735 40.8713 -101.313 178.87 -101.312 69.1628 GPRESSURE: 1531200 151.92 -178.191 194.769 -69.6283 63.7953 -106.447 123.571 -152.619 68.2001 PRESSAVG: 1531200 -0.291365 37.1176 34.9625 37.1176 -0.449476 4.19733 34.9625 4.19731 -16.2377 GPRESSAVG: 1531200 1.25919 37.4565 35.955 36.7293 -0.0488642 4.45354 34.6567 2.74445 -18.3857 TIMING: 1531200 CPU: 4824.61, 0.00314218/step Wall: 4824.61, 0.00314218/step, 3.02766 hours remaining, 238.410156 MB of memory in use. ENERGY: 1531200 3989.7316 20557.4059 14479.1486 249.3724 -203593.4615 2656.1993 0.0000 0.0000 52155.4329 -109506.1708 299.7380 -161661.6037 -109138.4151 299.5249 64.3543 94.6386 762190.5520 -5.6595 -5.7251 PRESSURE: 1531400 113.22 146.177 179.403 146.177 52.0637 125.433 179.404 125.434 -139.841 GPRESSURE: 1531400 176.436 65.0894 102.505 55.9553 37.3503 68.8691 129.692 87.9103 -91.7752 PRESSAVG: 1531400 49.6647 17.299 59.0546 17.2989 -84.5233 10.6568 59.0546 10.6568 -7.10213 GPRESSAVG: 1531400 49.592 17.8659 57.9141 15.4534 -84.1996 10.3873 60.4055 10.0922 -6.87912 TIMING: 1531400 CPU: 4825.24, 0.00314128/step Wall: 4825.24, 0.00314128/step, 3.02663 hours remaining, 238.410156 MB of memory in use. ENERGY: 1531400 4038.9230 20625.7336 14439.9436 252.7940 -203451.7210 2518.2098 0.0000 0.0000 52168.4588 -109407.6581 299.8128 -161576.1168 -109050.8052 299.7049 8.4808 40.6705 762076.1422 -13.9869 -13.8289 PRESSURE: 1531600 -85.6757 -88.2568 -214.05 -88.2575 64.7147 -51.0064 -214.05 -51.0061 166.606 GPRESSURE: 1531600 -23.8876 -63.127 -201.716 -64.2115 35.9086 9.11833 -333.084 73.4498 232.652 PRESSAVG: 1531600 23.1375 13.1743 8.38115 13.1742 -28.1789 22.6729 8.38112 22.6729 4.60062 GPRESSAVG: 1531600 23.6336 13.7911 8.68363 13.5042 -28.3988 21.8658 7.92163 24.2918 4.7598 TIMING: 1531600 CPU: 4825.87, 0.00314221/step Wall: 4825.87, 0.00314221/step, 3.02735 hours remaining, 238.410156 MB of memory in use. ENERGY: 1531600 3975.8785 20271.5970 14473.9319 260.4410 -203021.0863 2446.0928 0.0000 0.0000 52108.4114 -109484.7338 299.4678 -161593.1451 -109110.6160 299.4476 48.5484 81.5578 762674.5954 -0.1469 -0.0018 PRESSURE: 1531800 257.084 -69.347 9.64857 -69.3472 393.708 328.964 9.64838 328.966 -54.6893 GPRESSURE: 1531800 270.209 -140.206 87.3777 -107.789 435.202 192.422 -101.433 227.835 -15.7956 PRESSAVG: 1531800 16.5158 -2.54966 8.50006 -2.54967 -53.6948 10.0155 8.50004 10.0154 -4.12318 GPRESSAVG: 1531800 15.3874 -3.79535 7.77664 -0.520655 -52.8015 10.3932 6.82835 7.77273 -3.85877 TIMING: 1531800 CPU: 4826.5, 0.0031503/step Wall: 4826.5, 0.0031503/step, 3.03496 hours remaining, 238.410156 MB of memory in use. ENERGY: 1531800 3961.7072 20432.1202 14466.0102 250.5693 -203475.8274 2812.4039 0.0000 0.0000 51821.7025 -109731.3141 297.8200 -161553.0166 -109375.4479 298.5637 198.7007 229.8718 762487.9045 -13.7674 -13.7576 PRESSURE: 1532000 36.1219 47.9615 77.1467 47.9618 -210.971 26.2647 77.1462 26.2636 168.812 GPRESSURE: 1532000 33.9232 27.9217 103.788 19.4782 -115.65 55.4512 -13.6312 35.1796 142.921 PRESSAVG: 1532000 17.4658 21.5713 -16.4807 21.5713 -6.85775 58.1419 -16.4807 58.1418 25.6664 GPRESSAVG: 1532000 17.4598 21.8375 -15.6698 21.3649 -7.23519 57.9416 -17.1027 60.1233 25.6858 TIMING: 1532000 CPU: 4827.13, 0.00314041/step Wall: 4827.13, 0.00314041/step, 3.02526 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1532000 3993.5456 20496.4604 14518.5172 248.6074 -203724.3285 2578.3208 0.0000 0.0000 52045.8420 -109843.0351 299.1082 -161888.8771 -109487.3434 298.6720 -2.0123 20.3980 761521.1544 12.0915 11.9701 PRESSURE: 1532200 379.042 -286.021 31.7654 -286.021 172.552 26.1524 31.7652 26.1523 484.947 GPRESSURE: 1532200 378.945 -195.708 -4.51338 -225.803 199.067 68.8689 51.5671 -36.8898 520.641 PRESSAVG: 1532200 47.2673 -4.44407 19.8135 -4.44409 -33.6334 8.62239 19.8134 8.62238 19.1323 GPRESSAVG: 1532200 47.8765 -4.07601 18.7235 -4.65716 -33.7117 8.95911 19.7335 5.66204 18.8132 TIMING: 1532200 CPU: 4827.76, 0.00315043/step Wall: 4827.76, 0.00315043/step, 3.03474 hours remaining, 238.410156 MB of memory in use. ENERGY: 1532200 3986.3331 20386.5004 14481.9728 248.2690 -203679.7550 2620.5172 0.0000 0.0000 52253.5260 -109702.6366 300.3017 -161956.1626 -109333.1775 298.4088 345.5134 366.2176 761705.3628 10.9220 10.9927 LDB: ============= START OF LOAD BALANCING ============== 4840.15 LDB: ============== END OF LOAD BALANCING =============== 4840.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4840.15 LDB: ============= START OF LOAD BALANCING ============== 4840.47 LDB: Largest compute 7033 load 0.034085 is 17.4% of average load 0.195998 LDB: Average compute 0.004388 is 2.2% of average load 0.195998 LDB: TIME 4840.47 LOAD: AVG 0.195998 MAX 0.217277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.207 MB LDB: TIME 4840.47 LOAD: AVG 0.195998 MAX 0.217277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: TIME 4840.47 LOAD: AVG 0.195998 MAX 0.217277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: ============== END OF LOAD BALANCING =============== 4840.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4840.48 PRESSURE: 1532400 -132.994 -52.1809 110.317 -52.18 36.2591 122.708 110.317 122.709 -312.89 GPRESSURE: 1532400 -122.909 -18.1875 -10.7517 9.61437 69.277 118.793 190.809 130.938 -277.349 PRESSAVG: 1532400 0.279692 5.71457 31.9201 5.71458 -4.08117 2.25961 31.92 2.25964 -29.642 GPRESSAVG: 1532400 -0.299825 3.06279 32.0893 5.73358 -4.39687 1.11558 34.7886 3.11635 -29.0364 TIMING: 1532400 CPU: 4828.4, 0.003211/step Wall: 4828.4, 0.003211/step, 3.09291 hours remaining, 238.464844 MB of memory in use. ENERGY: 1532400 3927.8533 20631.3253 14444.5471 250.2028 -203446.7121 2504.1644 0.0000 0.0000 52187.8294 -109500.7897 299.9242 -161688.6191 -109143.3921 299.1666 -136.5416 -110.3270 760836.9154 -11.1478 -11.2444 PRESSURE: 1532600 -275.481 -164.507 -139.015 -164.507 -380.267 -130.178 -139.015 -130.179 32.2394 GPRESSURE: 1532600 -246.205 -198.57 -132.475 -145.397 -368.069 16.7597 -99.9772 0.775909 88.5068 PRESSAVG: 1532600 62.1577 -11.5922 41.9448 -11.5923 -3.52275 23.2854 41.9448 23.2854 6.18141 GPRESSAVG: 1532600 63.5127 -11.3438 42.6592 -11.7926 -5.43396 25.3414 42.4437 25.1241 6.04901 TIMING: 1532600 CPU: 4829.03, 0.00314949/step Wall: 4829.03, 0.00314949/step, 3.03348 hours remaining, 238.464844 MB of memory in use. ENERGY: 1532600 3863.5299 20407.9925 14468.8695 245.2692 -202959.3668 2549.7345 0.0000 0.0000 51936.4441 -109487.5270 298.4795 -161423.9711 -109129.2133 298.8854 -207.8363 -175.2557 761460.7379 21.6055 21.3759 PRESSURE: 1532800 -4.17262 163.047 222.729 163.047 48.2652 -274.987 222.728 -274.988 27.621 GPRESSURE: 1532800 101.192 166.431 193.014 242.916 76.9177 -237.245 200.896 -314.305 -16.5945 PRESSAVG: 1532800 3.04578 -16.5483 31.0069 -16.5483 -1.26329 -26.6621 31.007 -26.6621 -6.42612 GPRESSAVG: 1532800 2.50963 -16.4389 30.3245 -16.0903 0.273878 -27.9941 28.6496 -28.9368 -7.4293 TIMING: 1532800 CPU: 4829.65, 0.00311614/step Wall: 4829.65, 0.00311614/step, 3.00119 hours remaining, 238.464844 MB of memory in use. ENERGY: 1532800 3977.4659 20465.6212 14538.6469 243.8360 -203577.1234 2686.8828 0.0000 0.0000 52334.9649 -109329.7057 300.7698 -161664.6705 -108970.5189 299.8929 23.9045 53.8385 761146.6414 -1.5479 -1.5486 PRESSURE: 1533000 -123.093 -218.712 183.341 -218.711 -71.2115 -70.8061 183.342 -70.8057 -382.203 GPRESSURE: 1533000 -208.139 -207.829 221.041 -253.988 -45.35 -32.0848 82.7754 145.223 -255.059 PRESSAVG: 1533000 12.6854 -11.1221 93.0747 -11.1221 31.5797 -14.698 93.0748 -14.698 8.15935 GPRESSAVG: 1533000 11.7475 -9.37187 94.6089 -10.9081 30.9727 -14.2076 92.4868 -12.6956 9.10818 TIMING: 1533000 CPU: 4830.27, 0.00311517/step Wall: 4830.27, 0.00311517/step, 3.00008 hours remaining, 238.464844 MB of memory in use. ENERGY: 1533000 4060.7639 20712.8133 14498.8983 230.4163 -203213.0202 2426.1048 0.0000 0.0000 51909.1652 -109374.8583 298.3227 -161284.0235 -109008.4959 299.7402 -192.1693 -169.5159 762501.7741 17.4748 17.2761 PRESSURE: 1533200 -143.75 30.5813 -53.6228 30.5808 -28.4335 -151.089 -53.6225 -151.088 -22.686 GPRESSURE: 1533200 -58.7023 13.9628 -30.6005 73.2016 -14.4732 -142.618 24.4484 -154.331 -28.5642 PRESSAVG: 1533200 6.75005 25.7378 13.8077 25.7377 -11.3655 15.2954 13.8077 15.2953 5.21002 GPRESSAVG: 1533200 7.24632 25.544 10.4185 24.769 -11.8388 15.6699 16.4461 13.3226 5.12803 TIMING: 1533200 CPU: 4830.9, 0.00311786/step Wall: 4830.9, 0.00311787/step, 3.0025 hours remaining, 238.464844 MB of memory in use. ENERGY: 1533200 4006.0082 20420.1505 14491.4180 258.0835 -203640.0834 2639.3641 0.0000 0.0000 52410.0093 -109415.0498 301.2010 -161825.0591 -109043.1252 299.8396 -64.9566 -33.9132 760433.5335 0.1982 0.1785 PRESSURE: 1533400 -7.58915 -176.408 -224.178 -176.408 -338.34 -127.706 -224.179 -127.706 -192.219 GPRESSURE: 1533400 -9.95133 -208.009 -302.705 -257.672 -313.61 -135.022 -194.541 -66.3881 -134.005 PRESSAVG: 1533400 -0.863346 -5.62352 44.6212 -5.62353 -5.04728 24.9898 44.6212 24.9898 15.2108 GPRESSAVG: 1533400 -1.25008 -6.30657 47.1861 -6.01375 -4.24175 23.8869 42.6133 26.905 14.9927 TIMING: 1533400 CPU: 4831.52, 0.00313201/step Wall: 4831.52, 0.00313201/step, 3.01595 hours remaining, 238.464844 MB of memory in use. ENERGY: 1533400 4071.5590 20769.4144 14536.9498 244.3151 -203352.1899 2423.0030 0.0000 0.0000 52091.6299 -109215.3187 299.3713 -161306.9486 -108858.1066 299.9306 -179.3826 -152.5220 761377.9784 3.1001 3.1669 PRESSURE: 1533600 -227.056 -46.2412 141.379 -46.241 -5.2642 41.3344 141.379 41.3354 78.7756 GPRESSURE: 1533600 -222.762 44.8662 167.125 -169.466 1.14565 103.784 239.14 69.8679 126.036 PRESSAVG: 1533600 -56.475 -35.186 22.2945 -35.186 27.5965 6.54577 22.2945 6.54578 -19.0559 GPRESSAVG: 1533600 -55.886 -32.393 20.4088 -37.6116 26.9062 8.14059 25.3889 6.16603 -18.8704 TIMING: 1533600 CPU: 4832.16, 0.00315706/step Wall: 4832.16, 0.00315706/step, 3.03989 hours remaining, 238.464844 MB of memory in use. ENERGY: 1533600 3949.7119 20503.5383 14551.1324 257.5199 -203010.0277 2171.4872 0.0000 0.0000 52139.1159 -109437.5221 299.6442 -161576.6380 -109079.3097 299.5589 -51.1815 -31.8602 760164.7311 -15.9781 -15.9501 PRESSURE: 1533800 343.307 -195.472 -62.1085 -195.472 -248.681 224.886 -62.1078 224.887 236.606 GPRESSURE: 1533800 312.296 -303.327 -116.298 -156.561 -137.908 228.501 32.5829 95.8286 207.549 PRESSAVG: 1533800 4.79066 4.99112 63.2019 4.99107 -36.1239 -6.36054 63.2019 -6.36052 1.19658 GPRESSAVG: 1533800 5.26465 1.00387 63.1866 6.77648 -36.0908 -7.85626 63.0655 -8.04078 0.254699 TIMING: 1533800 CPU: 4832.79, 0.00316181/step Wall: 4832.79, 0.00316181/step, 3.0443 hours remaining, 238.464844 MB of memory in use. ENERGY: 1533800 4021.7337 20562.1465 14502.3025 243.9432 -203979.4854 3234.0183 0.0000 0.0000 51831.8011 -109583.5399 297.8781 -161415.3411 -109220.8788 299.0681 110.4110 127.3124 761337.4052 -10.0455 -10.1905 PRESSURE: 1534000 -127.652 -26.5761 107.571 -26.5757 21.9009 -69.7745 107.57 -69.7745 86.5469 GPRESSURE: 1534000 -145.412 -26.0191 128.204 -73.1955 83.6298 -103.855 81.1516 -8.73786 120.208 PRESSAVG: 1534000 -13.9079 5.54035 95.0722 5.5404 -17.2559 -36.2532 95.0722 -36.2532 -10.7697 GPRESSAVG: 1534000 -15.3461 8.29821 95.5981 6.05336 -16.4663 -35.6353 94.0046 -37.6752 -10.3518 TIMING: 1534000 CPU: 4833.42, 0.00316875/step Wall: 4833.42, 0.00316875/step, 3.0508 hours remaining, 238.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1534000 4013.8760 20425.1585 14445.6905 256.7343 -203974.6550 2966.7759 0.0000 0.0000 52257.9997 -109608.4201 300.3274 -161866.4197 -109248.2440 299.6471 -6.4014 19.4754 761752.0101 -13.9778 -14.0547 PRESSURE: 1534200 -159.099 253.192 141.329 253.192 -44.8611 -94.2401 141.33 -94.2404 118.31 GPRESSURE: 1534200 -130.009 268.496 270.354 311.345 69.3086 -39.1712 56.4025 -122.89 59.6255 PRESSAVG: 1534200 -40.4776 -16.4475 26.3713 -16.4475 82.4165 -39.871 26.3713 -39.871 6.38014 GPRESSAVG: 1534200 -38.7885 -17.8776 29.8974 -16.8125 81.941 -42.0249 25.8003 -38.2392 6.03663 TIMING: 1534200 CPU: 4834.05, 0.00315738/step Wall: 4834.05, 0.00315738/step, 3.03968 hours remaining, 238.464844 MB of memory in use. ENERGY: 1534200 3966.2182 20662.3516 14559.4845 242.2583 -203037.7228 2226.2816 0.0000 0.0000 51994.5758 -109386.5528 298.8135 -161381.1286 -109032.1288 299.6706 -28.5501 -0.3583 760617.0014 16.1063 16.3964 PRESSURE: 1534400 2.34422 -56.501 -215.897 -56.5006 146.376 77.4149 -215.898 77.4156 62.5149 GPRESSURE: 1534400 21.0126 -125.498 -129.569 -17.0294 167.619 49.0169 -236.129 57.5809 115.902 PRESSAVG: 1534400 -35.3145 17.6074 55.9407 17.6074 30.9963 15.6234 55.9407 15.6233 6.35071 GPRESSAVG: 1534400 -35.3676 17.8314 53.9699 17.3497 30.7907 17.865 55.4708 12.3703 6.94991 TIMING: 1534400 CPU: 4834.68, 0.00314686/step Wall: 4834.68, 0.00314686/step, 3.02938 hours remaining, 238.464844 MB of memory in use. ENERGY: 1534400 4019.6823 20457.9386 14515.4410 238.8079 -203252.0110 2570.4172 0.0000 0.0000 51944.2950 -109505.4290 298.5246 -161449.7240 -109155.2080 299.1760 70.4117 101.5114 761520.1179 0.6775 0.7910 PRESSURE: 1534600 -584.619 -12.409 -156.837 -12.409 -39.7673 79.0424 -156.837 79.0419 289.425 GPRESSURE: 1534600 -512.596 25.3654 -229.067 58.216 49.0657 3.43023 -245.438 85.6461 205.172 PRESSAVG: 1534600 -15.228 -22.6876 45.5051 -22.6876 -22.6252 -3.96641 45.5051 -3.9665 31.4293 GPRESSAVG: 1534600 -16.0748 -22.955 44.2091 -22.1194 -21.6666 -5.20763 45.8866 -0.0980788 31.3362 TIMING: 1534600 CPU: 4835.31, 0.00312404/step Wall: 4835.31, 0.00312404/step, 3.00723 hours remaining, 238.464844 MB of memory in use. ENERGY: 1534600 3990.8122 20537.1239 14572.9343 258.0542 -203476.4848 2534.9906 0.0000 0.0000 51983.0608 -109599.5088 298.7474 -161582.5696 -109245.8735 299.2504 -111.6537 -86.1193 760988.3011 -2.1413 -2.1351 PRESSURE: 1534800 -422.595 -142.8 208.871 -142.8 -49.8378 31.452 208.871 31.4517 55.0385 GPRESSURE: 1534800 -341.002 5.13257 249.503 -204.45 -116.863 0.218852 241.799 20.7549 129.683 PRESSAVG: 1534800 -19.4023 -23.9931 -20.8632 -23.9931 19.0021 35.7178 -20.8633 35.7177 -11.3365 GPRESSAVG: 1534800 -18.159 -23.5404 -19.8632 -23.9235 17.9787 34.8514 -20.0186 37.0378 -11.4684 TIMING: 1534800 CPU: 4835.93, 0.00313124/step Wall: 4835.93, 0.00313124/step, 3.01399 hours remaining, 238.464844 MB of memory in use. ENERGY: 1534800 4008.3655 20734.6076 14513.0241 244.0770 -203439.5668 2382.7790 0.0000 0.0000 51975.3308 -109581.3829 298.7029 -161556.7137 -109219.3286 298.8690 -139.1314 -109.3940 761561.9184 -3.9122 -3.8829 PRESSURE: 1535000 -121.595 -109.385 -127.102 -109.385 148.284 -36.3115 -127.103 -36.3115 666.337 GPRESSURE: 1535000 -93.4567 -58.9947 -24.599 -131.818 171.378 -8.13731 -201.716 35.9018 707.445 PRESSAVG: 1535000 -11.9072 48.9979 -7.80524 48.9978 5.54456 20.1873 -7.80521 20.1874 7.32427 GPRESSAVG: 1535000 -12.5041 48.9236 -9.00477 47.0246 6.44675 20.7294 -7.97782 20.4399 6.68623 TIMING: 1535000 CPU: 4836.55, 0.00310676/step Wall: 4836.55, 0.00310676/step, 2.99026 hours remaining, 238.464844 MB of memory in use. ENERGY: 1535000 3958.5456 20583.4151 14436.9516 241.7872 -203647.2405 2648.3854 0.0000 0.0000 52150.5937 -109627.5618 299.7102 -161778.1555 -109262.9526 298.5246 231.0090 261.7889 761544.7685 0.3205 0.2096 PRESSURE: 1535200 -302.121 196.464 58.1754 196.464 -515.377 89.6015 58.175 89.6008 -109.446 GPRESSURE: 1535200 -326.554 195.473 17.2866 307.723 -400.205 69.9717 -161.366 -21.8852 -120.892 PRESSAVG: 1535200 -32.4742 6.62904 60.7181 6.62905 22 34.9262 60.7181 34.9263 5.64948 GPRESSAVG: 1535200 -32.2741 6.15297 62.9587 6.13368 20.5527 35.7412 60.7413 31.925 7.2938 TIMING: 1535200 CPU: 4837.18, 0.00312952/step Wall: 4837.18, 0.00312952/step, 3.01199 hours remaining, 238.464844 MB of memory in use. ENERGY: 1535200 4007.5918 20472.4358 14491.6387 262.4579 -203083.9151 2460.9767 0.0000 0.0000 52039.7095 -109349.1046 299.0729 -161388.8141 -108982.2019 299.4608 -308.9815 -282.5505 762567.9482 -1.6082 -1.4759 PRESSURE: 1535400 -67.6389 -66.7682 106.087 -66.7679 145.043 94.761 106.086 94.7601 -141.664 GPRESSURE: 1535400 -89.8558 -45.1844 132.41 -126.187 172.602 4.33855 112.679 182.107 -53.9286 PRESSAVG: 1535400 15.7614 -12.4604 74.6125 -12.4604 -19.398 -13.1037 74.6125 -13.1038 1.96947 GPRESSAVG: 1535400 14.5031 -10.3308 72.508 -11.9735 -17.8927 -13.6143 73.9416 -10.3815 1.87611 TIMING: 1535400 CPU: 4837.81, 0.00314511/step Wall: 4837.81, 0.00314511/step, 3.02682 hours remaining, 238.464844 MB of memory in use. ENERGY: 1535400 3944.6451 20524.6511 14496.0722 237.4022 -203489.3379 2523.5926 0.0000 0.0000 52259.2466 -109503.7280 300.3346 -161762.9746 -109148.5690 299.2346 -21.4201 9.6059 760444.9050 -0.5557 -0.5045 PRESSURE: 1535600 221.409 -46.6923 32.0125 -46.6915 108.496 86.8717 32.0124 86.8719 138.04 GPRESSURE: 1535600 260.105 -1.0863 -43.2058 102.452 81.1822 -19.387 -57.2531 33.9934 206.871 PRESSAVG: 1535600 0.536412 5.4729 28.5998 5.47295 22.6683 -26.0507 28.5998 -26.0506 6.70872 GPRESSAVG: 1535600 2.61968 3.28882 29.2534 6.33269 21.4198 -25.2735 28.5387 -27.0068 5.45738 TIMING: 1535600 CPU: 4838.44, 0.00314145/step Wall: 4838.44, 0.00314145/step, 3.02312 hours remaining, 238.464844 MB of memory in use. ENERGY: 1535600 3989.2603 20282.8452 14433.5519 241.5062 -202708.5517 2307.8235 0.0000 0.0000 51785.3868 -109668.1778 297.6113 -161453.5646 -109310.5724 298.8627 155.9814 182.7192 761372.8571 9.9711 9.8323 PRESSURE: 1535800 -86.6307 -30.4041 108.187 -30.4036 42.9608 163.941 108.186 163.941 -348.81 GPRESSURE: 1535800 -10.6359 78.1682 41.6766 -15.9874 61.8288 82.4678 155.021 32.5502 -358.443 PRESSAVG: 1535800 -1.88404 -5.97539 8.04322 -5.97542 0.39724 -6.11159 8.04322 -6.11158 -22.3789 GPRESSAVG: 1535800 -2.68901 -5.20378 7.64567 -4.87656 0.447612 -4.84793 9.62443 -6.65043 -22.0242 TIMING: 1535800 CPU: 4839.06, 0.00312842/step Wall: 4839.06, 0.00312842/step, 3.01041 hours remaining, 238.464844 MB of memory in use. ENERGY: 1535800 3975.4523 20581.2814 14514.8514 255.4218 -203028.4193 2303.4734 0.0000 0.0000 51774.9709 -109622.9681 297.5515 -161397.9389 -109258.9439 298.1739 -130.8266 -102.4167 760865.8330 -7.9552 -8.0885 PRESSURE: 1536000 23.425 -35.3341 -115.912 -35.3341 8.43087 -187.312 -115.913 -187.312 -266.87 GPRESSURE: 1536000 1.82303 -32.4534 -100.334 -103.491 92.0962 -137.72 32.3866 -109.017 -253.273 PRESSAVG: 1536000 0.0573454 -26.8951 30.737 -26.8951 28.0239 -23.2373 30.7369 -23.2372 8.96781 GPRESSAVG: 1536000 -0.51556 -28.5102 31.774 -26.9739 28.9842 -23.9434 30.0544 -23.1389 8.14943 TIMING: 1536000 CPU: 4839.69, 0.00314157/step Wall: 4839.69, 0.00314157/step, 3.02289 hours remaining, 238.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1536000 3957.6531 20510.6054 14546.5674 250.4463 -203110.9911 2534.7504 0.0000 0.0000 51816.5112 -109494.4572 297.7902 -161310.9684 -109132.0931 298.9637 -78.3380 -53.1181 761324.9416 12.3497 12.2060 PRESSURE: 1536200 -63.0516 -162.891 -206.163 -162.892 -255.205 39.6307 -206.162 39.6308 -185.17 GPRESSURE: 1536200 -62.1481 -197.405 -252.254 -41.7498 -190.064 26.5332 -300.838 149.247 -173.332 PRESSAVG: 1536200 3.19167 38.0371 26.8455 38.0372 -27.3347 31.3962 26.8455 31.3962 11.532 GPRESSAVG: 1536200 2.30989 39.1187 25.9142 36.3795 -26.7136 28.7429 25.0051 31.2079 11.754 TIMING: 1536200 CPU: 4840.32, 0.0031453/step Wall: 4840.32, 0.0031453/step, 3.0263 hours remaining, 238.464844 MB of memory in use. ENERGY: 1536200 3983.1048 20577.6430 14451.8291 262.0551 -203413.2151 2478.6987 0.0000 0.0000 52138.8265 -109521.0580 299.6426 -161659.8845 -109160.4307 299.0759 -167.8090 -141.8483 760773.7126 -4.2036 -4.2166 LDB: ============= START OF LOAD BALANCING ============== 4852.72 LDB: ============== END OF LOAD BALANCING =============== 4852.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4852.72 LDB: ============= START OF LOAD BALANCING ============== 4853.03 LDB: Largest compute 7030 load 0.033274 is 17.0% of average load 0.196129 LDB: Average compute 0.004385 is 2.2% of average load 0.196129 LDB: TIME 4853.04 LOAD: AVG 0.196129 MAX 0.217597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.102 MB LDB: TIME 4853.04 LOAD: AVG 0.196129 MAX 0.217597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.102 MB LDB: TIME 4853.04 LOAD: AVG 0.196129 MAX 0.217597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.102 MB LDB: ============== END OF LOAD BALANCING =============== 4853.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4853.05 PRESSURE: 1536400 -56.3925 32.1663 -237.627 32.1669 -316.652 -30.1837 -237.627 -30.1827 116.252 GPRESSURE: 1536400 20.2292 -95.1532 -149.164 19.0882 -277.129 14.5373 -101.788 -106.771 74.0225 PRESSAVG: 1536400 -47.0759 5.70615 11.4175 5.70608 -7.28864 36.7197 11.4175 36.7196 -4.76297 GPRESSAVG: 1536400 -45.9334 7.04107 10.6059 4.95701 -9.41715 38.4825 13.9518 35.9875 -3.78962 TIMING: 1536400 CPU: 4840.96, 0.00321554/step Wall: 4840.96, 0.00321554/step, 3.0937 hours remaining, 240.320312 MB of memory in use. ENERGY: 1536400 3892.6463 20467.3699 14479.9982 257.7372 -203289.2269 2381.2514 0.0000 0.0000 52261.5181 -109548.7058 300.3477 -161810.2239 -109171.6041 298.9930 -85.5975 -60.9592 759928.0461 -19.7092 -19.7134 PRESSURE: 1536600 169.654 100.616 19.2552 100.615 -214.307 1.72197 19.2555 1.72162 -6.82699 GPRESSURE: 1536600 203.087 140.753 -11.4021 39.4369 -83.4571 134.779 35.9908 -30.799 -90.4444 PRESSAVG: 1536600 19.3511 3.18082 3.72713 3.18082 -9.50394 -17.7879 3.7271 -17.7879 -6.5913 GPRESSAVG: 1536600 18.8759 0.115223 2.89554 4.85405 -7.59372 -15.8294 2.31032 -15.6882 -8.06027 TIMING: 1536600 CPU: 4841.59, 0.00313428/step Wall: 4841.59, 0.00313428/step, 3.01535 hours remaining, 240.523438 MB of memory in use. ENERGY: 1536600 3958.6210 20508.3452 14413.0091 252.1035 -203178.5980 2304.7882 0.0000 0.0000 52245.1830 -109496.5479 300.2538 -161741.7308 -109134.0939 298.6847 -17.1599 9.7286 760909.6793 1.0853 1.0740 PRESSURE: 1536800 -230.42 27.1658 34.4827 27.1647 -404.939 -97.0951 34.4826 -97.0956 -114.627 GPRESSURE: 1536800 -196.571 20.5701 -84.9755 64.9831 -348.852 -215.289 -35.7018 -127.735 -120.472 PRESSAVG: 1536800 73.5859 -20.6683 46.9941 -20.6683 -64.7859 7.69272 46.9941 7.69262 6.04246 GPRESSAVG: 1536800 74.3661 -19.5418 48.3405 -19.8369 -65.2962 7.14191 45.854 6.29235 6.4725 TIMING: 1536800 CPU: 4842.22, 0.00313166/step Wall: 4842.22, 0.00313166/step, 3.01266 hours remaining, 240.523438 MB of memory in use. ENERGY: 1536800 4056.9152 20521.8481 14453.3340 230.3709 -203301.0093 2427.3471 0.0000 0.0000 51942.4553 -109668.7387 298.5140 -161611.1940 -109304.0715 298.9399 -249.9952 -221.9653 761970.4556 4.9475 5.1808 PRESSURE: 1537000 -209.115 -123.975 -152.765 -123.975 -165.765 100.613 -152.765 100.613 -652.581 GPRESSURE: 1537000 -157.748 -145.058 -64.0815 -195.541 -220.624 93.5544 -249.168 68.2855 -561.012 PRESSAVG: 1537000 -19.0666 9.82319 53.2091 9.82326 -25.6054 37.7822 53.2092 37.7822 -13.5753 GPRESSAVG: 1537000 -19.6713 9.96734 53.5265 6.32556 -25.6997 36.3692 51.5021 36.3599 -13.0561 TIMING: 1537000 CPU: 4842.85, 0.00314179/step Wall: 4842.85, 0.00314179/step, 3.02222 hours remaining, 240.523438 MB of memory in use. ENERGY: 1537000 3994.2962 20587.3365 14489.7841 253.3075 -203399.3897 2465.4530 0.0000 0.0000 51919.5715 -109689.6410 298.3825 -161609.2125 -109324.1609 298.3369 -342.4873 -313.1281 763364.2444 -19.4158 -19.4757 PRESSURE: 1537200 226.482 -55.6166 3.89497 -55.6159 573.815 -47.2021 3.89458 -47.2034 383.452 GPRESSURE: 1537200 353.935 -14.9689 -3.73144 -1.85709 542.206 -140.381 4.46705 -66.2849 364.649 PRESSAVG: 1537200 5.02432 -17.1391 43.3329 -17.1391 -7.65203 -30.0909 43.3329 -30.0909 -1.59544 GPRESSAVG: 1537200 5.89148 -17.1739 43.8365 -15.6493 -7.74871 -30.2128 45.1955 -28.2767 -1.74948 TIMING: 1537200 CPU: 4843.48, 0.00315128/step Wall: 4843.48, 0.00315128/step, 3.03118 hours remaining, 240.523438 MB of memory in use. ENERGY: 1537200 3941.6950 20440.7132 14505.9833 250.0052 -203629.8304 2925.2051 0.0000 0.0000 52055.0151 -109511.2135 299.1609 -161566.2286 -109150.0759 298.6149 394.5831 420.2635 761989.9176 -1.4077 -1.2022 PRESSURE: 1537400 405.597 107.535 110.44 107.535 429.107 106.478 110.439 106.478 655.52 GPRESSURE: 1537400 408.099 72.6006 32.7919 202.623 482.321 114.59 235.295 119.97 667.113 PRESSAVG: 1537400 -13.0994 -17.3871 -3.76353 -17.3871 -7.12419 -44.6994 -3.76358 -44.6995 35.4719 GPRESSAVG: 1537400 -13.3869 -17.5968 -5.72998 -18.303 -5.77654 -42.6664 -4.33422 -45.3288 34.3194 TIMING: 1537400 CPU: 4844.1, 0.00313793/step Wall: 4844.1, 0.00313793/step, 3.01816 hours remaining, 240.523438 MB of memory in use. ENERGY: 1537400 3862.0498 20536.4354 14484.7539 246.0598 -203807.0841 3062.3738 0.0000 0.0000 52030.8972 -109584.5141 299.0223 -161615.4114 -109222.5432 299.2037 496.7416 519.1778 759936.0284 5.0828 5.0520 PRESSURE: 1537600 -30.2799 -195.546 12.1532 -195.547 -227.847 136.54 12.1536 136.541 8.59127 GPRESSURE: 1537600 -33.5772 -191.748 7.78507 -96.7604 -113.389 35.4486 123.63 226.452 -13.2525 PRESSAVG: 1537600 -16.3715 -6.5156 -45.3441 -6.51565 -34.5988 17.9323 -45.3442 17.9322 -3.46312 GPRESSAVG: 1537600 -17.1293 -6.69691 -44.6559 -6.10415 -35.5889 16.5144 -43.7474 18.4325 -1.57531 TIMING: 1537600 CPU: 4844.73, 0.0031386/step Wall: 4844.73, 0.0031386/step, 3.01863 hours remaining, 240.523438 MB of memory in use. ENERGY: 1537600 3997.5934 20497.4830 14449.3425 238.0054 -203412.9429 2542.2788 0.0000 0.0000 51980.1710 -109708.0689 298.7308 -161688.2399 -109343.6980 298.7668 -83.1787 -53.4062 760724.9533 -18.1445 -18.0978 PRESSURE: 1537800 -176.492 -6.62046 54.1443 -6.62072 -6.77835 -142.623 54.1434 -142.622 -539.841 GPRESSURE: 1537800 -9.99401 -53.0628 84.9132 26.7796 -63.4077 -122.412 34.3089 -172.928 -549.451 PRESSAVG: 1537800 -69.5962 26.1525 -45.3387 26.1525 23.2708 25.8026 -45.3387 25.8026 4.71649 GPRESSAVG: 1537800 -69.5958 24.8507 -44.7682 27.5633 24.1216 26.0224 -45.982 24.8206 4.50128 TIMING: 1537800 CPU: 4845.36, 0.00312941/step Wall: 4845.36, 0.00312941/step, 3.00962 hours remaining, 240.523438 MB of memory in use. ENERGY: 1537800 4036.8735 20447.9998 14420.3498 244.6558 -203191.1418 2622.1746 0.0000 0.0000 52065.1138 -109353.9746 299.2189 -161419.0884 -108997.4019 298.7508 -241.0373 -207.6175 762068.8021 -13.8696 -13.6577 PRESSURE: 1538000 -181.497 95.0437 234.435 95.043 57.2728 49.4965 234.435 49.4966 -270.186 GPRESSURE: 1538000 -139.519 -52.414 285.845 135.371 38.3645 35.6965 92.145 99.5642 -210.726 PRESSAVG: 1538000 7.04273 19.8618 37.1276 19.8618 1.80994 5.15074 37.1277 5.15067 21.7369 GPRESSAVG: 1538000 7.58545 18.4006 36.3206 19.3378 2.0582 4.89662 37.5581 7.46815 21.2792 TIMING: 1538000 CPU: 4845.99, 0.00314475/step Wall: 4845.99, 0.00314475/step, 3.0242 hours remaining, 240.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1538000 4014.0101 20339.0948 14466.2365 254.6996 -203265.1880 2484.0131 0.0000 0.0000 52281.9757 -109425.1583 300.4652 -161707.1340 -109061.8988 299.1743 -131.4698 -103.9602 760936.7145 10.1965 10.3076 PRESSURE: 1538200 -316.733 -95.4287 -268.611 -95.4282 -249.312 174.874 -268.611 174.875 281.109 GPRESSURE: 1538200 -279.206 -120.634 -306.121 -69.3439 -125.506 118.325 -152.118 170.818 200.834 PRESSAVG: 1538200 5.34332 -19.6229 18.9669 -19.6229 1.18376 -34.5693 18.9669 -34.5693 -6.73923 GPRESSAVG: 1538200 5.51493 -17.5766 18.6232 -20.7511 1.83667 -35.2737 20.4734 -35.3339 -7.35295 TIMING: 1538200 CPU: 4846.61, 0.00313898/step Wall: 4846.61, 0.00313898/step, 3.01848 hours remaining, 240.523438 MB of memory in use. ENERGY: 1538200 4013.3289 20306.2507 14475.6415 244.8021 -203008.9618 2445.6707 0.0000 0.0000 52109.4425 -109413.8255 299.4737 -161523.2680 -109043.6269 299.1584 -94.9787 -67.9590 760377.0363 -0.0707 -0.0004 PRESSURE: 1538400 -12.8067 23.6153 244.309 23.6165 -186.049 -10.5322 244.309 -10.5324 -79.2783 GPRESSURE: 1538400 -0.634094 102.169 281.872 40.8323 -100.701 38.4248 228.609 -101.614 -90.8726 PRESSAVG: 1538400 34.0857 -21.2104 -20.0707 -21.2103 -14.8669 26.4765 -20.0707 26.4766 -12.8851 GPRESSAVG: 1538400 34.3216 -19.9336 -17.8145 -20.5861 -16.5294 28.3679 -22.3517 25.0051 -12.1112 TIMING: 1538400 CPU: 4847.24, 0.00315162/step Wall: 4847.24, 0.00315162/step, 3.03046 hours remaining, 240.523438 MB of memory in use. ENERGY: 1538400 4023.7322 20334.0759 14419.8474 244.1845 -202892.3902 2428.9333 0.0000 0.0000 52138.0160 -109303.6009 299.6379 -161441.6169 -108939.1080 299.8109 -92.7114 -64.0691 762209.2738 2.1112 1.8937 PRESSURE: 1538600 -83.8026 27.0886 -36.5906 27.089 -37.5943 255.689 -36.5907 255.69 -312.512 GPRESSURE: 1538600 24.6985 -2.81286 -42.3685 -22.4933 -115.901 291.697 21.3174 137.548 -262.899 PRESSAVG: 1538600 -8.25768 -74.9396 -37.4528 -74.9395 11.6717 36.5212 -37.4528 36.5212 -3.65991 GPRESSAVG: 1538600 -8.12977 -74.7994 -36.7978 -75.1588 11.6318 33.9991 -37.234 38.4096 -3.33536 TIMING: 1538600 CPU: 4847.87, 0.00314137/step Wall: 4847.87, 0.00314137/step, 3.02043 hours remaining, 240.523438 MB of memory in use. ENERGY: 1538600 3996.7142 20544.2786 14478.3424 251.9551 -202999.8957 2576.4690 0.0000 0.0000 51895.9153 -109256.2212 298.2465 -161152.1366 -108900.8455 299.4758 -144.6364 -118.0338 764253.6479 -0.0820 0.0556 PRESSURE: 1538800 -19.7212 -174.693 -34.3541 -174.692 8.55217 -86.282 -34.3542 -86.2809 -74.5048 GPRESSURE: 1538800 61.7395 -52.5981 -81.2476 -153.825 17.5043 -97.317 0.945081 -73.3152 -97.1545 PRESSAVG: 1538800 -25.9257 -12.4296 16.2339 -12.4297 19.6434 -19.9682 16.2339 -19.9681 -7.73616 GPRESSAVG: 1538800 -25.3844 -12.9249 14.1004 -11.5245 19.7901 -19.5023 15.8983 -20.0656 -8.26722 TIMING: 1538800 CPU: 4848.5, 0.00314023/step Wall: 4848.5, 0.00314023/step, 3.01916 hours remaining, 240.523438 MB of memory in use. ENERGY: 1538800 3999.5088 20547.6242 14482.7898 225.7391 -203227.4090 2534.1933 0.0000 0.0000 52029.1054 -109408.4483 299.0120 -161437.5537 -109053.4628 299.0272 -28.5579 -5.9702 761933.2223 -4.6728 -4.6205 PRESSURE: 1539000 113.994 -55.0725 11.0961 -55.0724 240.235 -315.183 11.0965 -315.183 56.06 GPRESSURE: 1539000 178.923 -48.3691 50.7782 -71.7786 226.058 -312.012 71.4387 -210.106 101.725 PRESSAVG: 1539000 5.21675 -10.8394 -44.8327 -10.8394 45.0838 -11.7444 -44.8327 -11.7444 -0.00361564 GPRESSAVG: 1539000 4.623 -9.27688 -43.4384 -12.2643 46.221 -10.3317 -43.6228 -12.2311 0.324259 TIMING: 1539000 CPU: 4849.13, 0.00313834/step Wall: 4849.13, 0.00313834/step, 3.01717 hours remaining, 240.523438 MB of memory in use. ENERGY: 1539000 3991.1184 20360.8096 14476.0277 244.8802 -203049.1643 2689.9583 0.0000 0.0000 51902.4073 -109383.9629 298.2838 -161286.3702 -109026.3518 299.1758 136.7631 168.9022 762919.4708 16.7656 17.0561 PRESSURE: 1539200 49.2239 -102.501 107.254 -102.501 209.577 93.3814 107.254 93.3804 -225.681 GPRESSURE: 1539200 129.61 -53.8398 76.4775 -19.8494 200.561 100.865 22.8494 17.4713 -216.398 PRESSAVG: 1539200 -35.3546 -5.10694 -9.57871 -5.10693 24.3137 -24.2911 -9.57865 -24.2912 8.46438 GPRESSAVG: 1539200 -34.9901 -6.40567 -11.0574 -5.10873 23.4961 -23.8272 -9.14148 -25.4944 9.08052 TIMING: 1539200 CPU: 4849.75, 0.00313474/step Wall: 4849.75, 0.00313474/step, 3.01353 hours remaining, 240.523438 MB of memory in use. ENERGY: 1539200 4027.1427 20418.2048 14397.5644 247.7015 -203540.8666 2814.2081 0.0000 0.0000 52402.9302 -109233.1149 301.1604 -161636.0452 -108861.3944 299.0734 11.0402 37.9245 760364.2071 -0.8588 -0.8045 PRESSURE: 1539400 37.8895 -10.0249 103.589 -10.0259 12.6603 80.8731 103.59 80.8723 66.4263 GPRESSURE: 1539400 25.9804 -136.462 141.006 -25.605 39.9352 41.5787 139.191 76.4626 120.415 PRESSAVG: 1539400 2.79133 -8.51972 13.3883 -8.51971 5.49398 -11.4753 13.3883 -11.4752 -24.1852 GPRESSAVG: 1539400 1.56361 -7.79069 14.0275 -8.81725 6.62424 -12.047 11.5567 -11.2055 -23.9406 TIMING: 1539400 CPU: 4850.39, 0.00315811/step Wall: 4850.39, 0.00315811/step, 3.03582 hours remaining, 240.523438 MB of memory in use. ENERGY: 1539400 4008.4095 20595.9926 14551.9670 247.3995 -203329.7855 2704.3147 0.0000 0.0000 52175.7431 -109045.9592 299.8547 -161221.7023 -108684.4391 299.7353 38.9920 62.1101 762140.9587 -5.3000 -5.2509 PRESSURE: 1539600 -38.3429 191.834 32.2684 191.834 -10.1309 113.11 32.2685 113.111 -74.0124 GPRESSURE: 1539600 40.4744 140.802 36.5278 115.907 26.46 -30.5653 77.9096 255.964 -91.8149 PRESSAVG: 1539600 6.07177 -3.10221 -21.8778 -3.10215 -8.36829 -25.1645 -21.8779 -25.1645 26.7442 GPRESSAVG: 1539600 6.75492 -4.47946 -20.7499 -2.80191 -9.03616 -26.3464 -19.8518 -22.6438 26.5227 TIMING: 1539600 CPU: 4851.01, 0.00313558/step Wall: 4851.01, 0.00313558/step, 3.01399 hours remaining, 240.523438 MB of memory in use. ENERGY: 1539600 4017.4459 20604.9078 14494.4394 244.3933 -202859.4580 2509.4762 0.0000 0.0000 51934.2336 -109054.5619 298.4668 -160988.7955 -108691.9266 299.3824 -40.8288 -8.2935 760896.9491 8.1492 8.0805 PRESSURE: 1539800 -272.527 -155.819 94.1091 -155.819 -187.03 -235.695 94.1091 -235.695 -290.879 GPRESSURE: 1539800 -204.566 -105.552 164.777 -207.475 -153.415 -192.441 81.3967 -166.883 -326.663 PRESSAVG: 1539800 -11.0506 39.6622 32.6642 39.6623 5.70922 -4.37845 32.6642 -4.37848 -18.3503 GPRESSAVG: 1539800 -12.0012 40.3372 32.5344 40.4921 7.29445 -3.52089 30.6853 -6.00821 -19.2114 TIMING: 1539800 CPU: 4851.64, 0.00313946/step Wall: 4851.64, 0.00313946/step, 3.01755 hours remaining, 240.523438 MB of memory in use. ENERGY: 1539800 3978.3152 20463.7979 14598.5448 261.5046 -203207.2487 2459.6470 0.0000 0.0000 52210.9385 -109234.5008 300.0570 -161445.4393 -108860.4354 299.7070 -250.1451 -228.2145 761880.2614 -7.8972 -7.9727 PRESSURE: 1540000 29.8197 -15.2702 41.5292 -15.2698 278.936 69.3732 41.5289 69.3734 174.971 GPRESSURE: 1540000 109.724 -137.663 24.6161 9.02932 283.128 68.2943 93.5698 134.666 160.773 PRESSAVG: 1540000 4.94409 1.37737 23.5149 1.37733 -29.1569 33.122 23.5148 33.1219 -22.8562 GPRESSAVG: 1540000 5.76657 0.814045 21.1057 1.7156 -31.2941 34.3624 24.2156 31.2267 -21.8354 TIMING: 1540000 CPU: 4852.27, 0.00315864/step Wall: 4852.27, 0.00315864/step, 3.03581 hours remaining, 240.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1540000 4011.6852 20544.8890 14518.1901 251.2718 -203597.1223 2888.7383 0.0000 0.0000 52156.9621 -109225.3858 299.7468 -161382.3479 -108872.1251 299.5353 161.2422 184.5416 761133.8178 -15.6897 -15.7876 PRESSURE: 1540200 75.3263 10.7733 -144.851 10.7727 209.663 106.919 -144.852 106.919 236.727 GPRESSURE: 1540200 125.076 -67.5863 -149.849 105.363 275.789 -22.5913 -31.9437 81.9039 195.513 PRESSAVG: 1540200 -15.6529 16.5637 -4.36796 16.5637 5.24807 -38.2972 -4.36799 -38.2972 11.1483 GPRESSAVG: 1540200 -15.9574 17.507 -2.63102 16.077 6.14271 -39.8319 -5.48343 -36.4874 10.9556 TIMING: 1540200 CPU: 4852.9, 0.00313261/step Wall: 4852.9, 0.00313261/step, 3.01061 hours remaining, 240.523438 MB of memory in use. ENERGY: 1540200 3957.0972 20597.9232 14592.7540 242.7471 -203767.9661 3040.6011 0.0000 0.0000 52154.5139 -109182.3297 299.7327 -161336.8435 -108818.6487 299.8351 173.9052 198.7929 760930.9009 0.2478 0.3803 LDB: ============= START OF LOAD BALANCING ============== 4865.3 LDB: ============== END OF LOAD BALANCING =============== 4865.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4865.3 LDB: ============= START OF LOAD BALANCING ============== 4865.61 LDB: Largest compute 7062 load 0.033602 is 17.1% of average load 0.195990 LDB: Average compute 0.004394 is 2.2% of average load 0.195990 LDB: TIME 4865.61 LOAD: AVG 0.19599 MAX 0.214361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.715 MB LDB: TIME 4865.61 LOAD: AVG 0.19599 MAX 0.214361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.715 MB LDB: TIME 4865.61 LOAD: AVG 0.19599 MAX 0.214361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4865.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4865.62 PRESSURE: 1540400 -31.9029 27.593 78.5406 27.5935 -111.691 -263.46 78.5399 -263.459 -259.422 GPRESSURE: 1540400 -77.4467 -4.27259 125.597 -25.0426 -39.5131 -270.563 99.7714 -165.364 -200.999 PRESSAVG: 1540400 -33.9497 14.8166 31.7288 14.8166 16.5248 -15.4891 31.7289 -15.4891 3.85814 GPRESSAVG: 1540400 -34.7682 15.64 31.2413 13.3846 16.6537 -15.6873 32.9744 -16.2338 4.33817 TIMING: 1540400 CPU: 4853.54, 0.00319554/step Wall: 4853.54, 0.00319554/step, 3.07091 hours remaining, 238.906250 MB of memory in use. ENERGY: 1540400 3999.6778 20537.3425 14524.9099 241.4499 -203245.4461 2480.0993 0.0000 0.0000 52261.7158 -109200.2509 300.3488 -161461.9667 -108830.3187 299.7737 -134.3386 -105.9864 761989.1641 -4.5223 -4.5921 PRESSURE: 1540600 -198.103 26.7882 12.7587 26.7876 -54.5335 -247.908 12.759 -247.909 -354.598 GPRESSURE: 1540600 -174.289 -27.8414 -11.1268 51.81 -51.7489 -298.275 34.5507 -193.261 -303.228 PRESSAVG: 1540600 -9.62845 9.86879 11.8744 9.86877 -19.7101 9.81599 11.8744 9.81596 7.10142 GPRESSAVG: 1540600 -8.73983 7.76573 11.9032 12.8499 -21.041 9.54313 12.0543 10.8435 7.09263 TIMING: 1540600 CPU: 4854.17, 0.00314304/step Wall: 4854.17, 0.00314304/step, 3.02029 hours remaining, 239.109375 MB of memory in use. ENERGY: 1540600 4007.0969 20354.3127 14509.5106 225.9623 -203377.6192 2456.0116 0.0000 0.0000 52317.8116 -109506.9135 300.6712 -161824.7251 -109127.7509 299.5533 -202.4113 -176.4219 761310.1211 -7.4124 -7.5627 PRESSURE: 1540800 -346.772 -81.201 245.635 -81.2017 -124.371 -71.9785 245.635 -71.9792 116.271 GPRESSURE: 1540800 -204.514 -106.695 279.02 -114.634 -175.472 -167.58 213.807 -76.8825 129.429 PRESSAVG: 1540800 -0.106887 -13.223 40.7467 -13.2231 -12.7373 -1.32119 40.7467 -1.32118 -14.0939 GPRESSAVG: 1540800 -0.309141 -11.4688 41.0689 -15.6159 -12.3539 0.751933 41.0773 -3.20457 -13.9618 TIMING: 1540800 CPU: 4854.8, 0.00315109/step Wall: 4854.8, 0.00315109/step, 3.02784 hours remaining, 239.109375 MB of memory in use. ENERGY: 1540800 3991.6741 20566.8684 14489.9578 252.4260 -203065.4129 2236.7287 0.0000 0.0000 51980.7031 -109547.0548 298.7338 -161527.7579 -109187.1438 299.1064 -118.2906 -83.5189 761083.5524 -8.9794 -8.8749 PRESSURE: 1541000 -501.731 -79.9602 295.05 -79.9599 114.835 39.5646 295.051 39.5644 -287.971 GPRESSURE: 1541000 -415.19 47.5641 224.585 -156.507 17.1985 97.066 124.145 64.0171 -206.046 PRESSAVG: 1541000 8.61606 16.8831 29.7783 16.8831 12.4853 -25.4482 29.7783 -25.4481 28.9263 GPRESSAVG: 1541000 9.2657 16.737 30.3717 19.2096 13.2375 -26.9877 28.6638 -23.6989 28.0563 TIMING: 1541000 CPU: 4855.42, 0.00313106/step Wall: 4855.42, 0.00313106/step, 3.00842 hours remaining, 239.109375 MB of memory in use. ENERGY: 1541000 4110.2808 20487.3345 14507.9099 240.5420 -202993.4672 2351.1949 0.0000 0.0000 51785.8875 -109510.3175 297.6142 -161296.2050 -109145.8338 299.0040 -224.9559 -201.3456 761194.0148 16.6759 16.8532 PRESSURE: 1541200 -77.012 104.246 -126.361 104.245 -568.24 53.5828 -126.36 53.5834 -290.308 GPRESSURE: 1541200 -57.3712 -87.4479 -184.978 168.63 -545.797 105.346 -113.339 74.3642 -240.164 PRESSAVG: 1541200 -2.34333 -39.5423 -1.70939 -39.5423 9.07579 -7.86957 -1.70938 -7.86963 -12.1719 GPRESSAVG: 1541200 -1.3937 -40.6792 -4.42926 -40.7269 7.66882 -6.78996 -0.457661 -10.7711 -11.5167 TIMING: 1541200 CPU: 4856.05, 0.00312611/step Wall: 4856.05, 0.00312611/step, 3.0035 hours remaining, 239.109375 MB of memory in use. ENERGY: 1541200 4074.7897 20497.1064 14489.6339 239.2210 -203505.5461 2485.2324 0.0000 0.0000 52049.1185 -109670.4442 299.1270 -161719.5627 -109304.2897 298.8984 -311.8533 -281.1105 759816.8289 -1.8131 -1.7472 PRESSURE: 1541400 -91.8241 119.324 7.99393 119.323 113.418 139.238 7.99401 139.239 -280.973 GPRESSURE: 1541400 15.0759 157.636 9.76917 121.655 104.619 138.909 -6.07675 253.742 -281.304 PRESSAVG: 1541400 25.7263 12.3613 54.6779 12.3612 -16.3347 -26.4407 54.6779 -26.4406 4.55359 GPRESSAVG: 1541400 25.1541 12.1568 56.9339 13.0636 -15.4704 -27.7087 53.4276 -23.6795 3.87833 TIMING: 1541400 CPU: 4856.67, 0.00312247/step Wall: 4856.67, 0.00312247/step, 2.99983 hours remaining, 239.109375 MB of memory in use. ENERGY: 1541400 3993.5739 20527.3792 14574.2767 251.7008 -203682.3111 2603.1290 0.0000 0.0000 51805.8965 -109926.3549 297.7292 -161732.2514 -109564.1959 298.7247 -86.4597 -53.8696 759908.2700 4.6484 4.5207 PRESSURE: 1541600 227.887 120.705 -66.8297 120.705 64.4287 115.282 -66.8301 115.281 131.232 GPRESSURE: 1541600 344.776 201.053 -91.2268 120.495 -7.53722 102.527 -68.5963 36.4829 160.883 PRESSAVG: 1541600 32.8031 -12.4927 -43.4146 -12.4926 19.1004 24.8139 -43.4146 24.814 -2.22553 GPRESSAVG: 1541600 32.6672 -12.3282 -43.3057 -14.6169 19.1025 24.9231 -41.7449 23.9388 -2.32339 TIMING: 1541600 CPU: 4857.3, 0.00312829/step Wall: 4857.3, 0.00312829/step, 3.00525 hours remaining, 239.109375 MB of memory in use. ENERGY: 1541600 3905.6914 20374.4360 14539.7126 226.1750 -203168.9228 2304.3731 0.0000 0.0000 51985.1892 -109833.3454 298.7596 -161818.5346 -109471.0357 297.9651 141.1826 166.0407 761020.3892 16.5593 16.4821 PRESSURE: 1541800 107.126 -45.4194 -259.213 -45.4192 -66.98 -42.2948 -259.212 -42.2939 117.886 GPRESSURE: 1541800 87.4502 -15.9483 -245.332 11.6422 -24.6751 -13.3329 -93.3713 -35.6775 173.801 PRESSAVG: 1541800 -9.41047 12.0943 2.20651 12.0944 -10.0315 -10.8759 2.20649 -10.8759 11.3723 GPRESSAVG: 1541800 -10.5977 11.5856 2.31132 12.5419 -9.50402 -11.4063 1.90197 -10.8989 12.662 TIMING: 1541800 CPU: 4857.92, 0.00312561/step Wall: 4857.92, 0.00312561/step, 3.0025 hours remaining, 239.109375 MB of memory in use. ENERGY: 1541800 3969.8520 20381.5539 14559.4466 233.6114 -203329.2222 2737.0552 0.0000 0.0000 51768.3662 -109679.3369 297.5135 -161447.7030 -109331.7397 298.2110 52.6773 78.8585 760977.1886 -2.6899 -2.4799 PRESSURE: 1542000 -273.218 69.5706 14.3401 69.5697 195.206 11.7418 14.3409 11.742 155.293 GPRESSURE: 1542000 -145.065 55.5307 47.3109 121.823 213.346 105.852 30.3576 0.93685 115.693 PRESSAVG: 1542000 -1.66322 -2.27063 -25.8426 -2.2707 1.49077 1.67541 -25.8427 1.67545 13.7373 GPRESSAVG: 1542000 -0.821288 -0.950588 -24.2597 -2.08221 1.39706 3.4998 -26.7717 3.04576 13.8502 TIMING: 1542000 CPU: 4858.55, 0.00314795/step Wall: 4858.55, 0.00314795/step, 3.02378 hours remaining, 239.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1542000 3919.1423 20377.1745 14544.6492 249.2242 -203553.8707 2731.9655 0.0000 0.0000 51952.0764 -109779.6386 298.5693 -161731.7150 -109424.6034 298.3829 25.7599 61.3245 760677.5043 4.5216 4.8086 PRESSURE: 1542200 156.382 215.649 -39.7817 215.648 350.576 -195.176 -39.7824 -195.175 -107.038 GPRESSURE: 1542200 288.304 140.706 -40.3717 193.312 284.585 -212.998 -78.2141 -127.483 -80.5283 PRESSAVG: 1542200 -11.706 -0.0439279 -18.0346 -0.043869 12.884 -22.0536 -18.0346 -22.0535 8.87664 GPRESSAVG: 1542200 -10.8423 -2.54986 -20.5404 1.2518 12.3236 -22.4364 -16.1074 -21.86 8.78286 TIMING: 1542200 CPU: 4859.19, 0.00317685/step Wall: 4859.19, 0.00317685/step, 3.05136 hours remaining, 239.109375 MB of memory in use. ENERGY: 1542200 3967.9933 20418.1929 14484.8281 243.9055 -203666.4364 2852.2757 0.0000 0.0000 52114.2508 -109584.9899 299.5013 -161699.2407 -109222.8845 298.6226 133.3069 164.1204 761710.8293 3.3515 3.4214 PRESSURE: 1542400 -257.855 -137.702 -73.0515 -137.703 -181.781 19.4518 -73.0502 19.4514 -2.32483 GPRESSURE: 1542400 -252.163 -113.794 -11.8257 -186.17 -26.3617 -0.452125 -192.265 12.1657 -59.7228 PRESSAVG: 1542400 -52.4557 -23.1039 11.0094 -23.104 8.1959 -4.01361 11.0094 -4.01357 -18.7503 GPRESSAVG: 1542400 -52.6953 -21.6762 11.1205 -23.3117 8.68462 -4.60671 7.44174 -4.35455 -18.4084 TIMING: 1542400 CPU: 4859.82, 0.0031445/step Wall: 4859.82, 0.0031445/step, 3.02012 hours remaining, 239.109375 MB of memory in use. ENERGY: 1542400 3999.8619 20568.7455 14508.7930 240.1904 -203407.5697 2401.2831 0.0000 0.0000 51960.3904 -109728.3054 298.6171 -161688.6958 -109361.2494 298.8593 -147.3205 -112.7491 759589.1963 -21.0034 -20.8064 PRESSURE: 1542600 -281.148 59.4098 -80.4398 59.4093 -104.912 -77.676 -80.4395 -77.6769 182.003 GPRESSURE: 1542600 -234.313 94.936 -128.592 24.9011 4.17592 -118.44 -40.1591 -11.6377 102.834 PRESSAVG: 1542600 9.79884 1.41003 -2.02943 1.41001 11.1639 -42.1166 -2.02945 -42.1166 6.55959 GPRESSAVG: 1542600 10.453 1.06257 -3.28435 2.40385 11.1279 -41.9951 -1.94626 -44.2437 5.63754 TIMING: 1542600 CPU: 4860.45, 0.0031433/step Wall: 4860.45, 0.0031433/step, 3.01879 hours remaining, 239.109375 MB of memory in use. ENERGY: 1542600 4029.5673 20547.9012 14464.5754 268.8281 -203422.9410 2512.4169 0.0000 0.0000 52107.1187 -109492.5335 299.4603 -161599.6523 -109135.5051 298.3898 -68.0192 -42.4343 759593.5728 9.1741 9.0728 PRESSURE: 1542800 172.513 116.311 161.615 116.311 -221.469 161.84 161.615 161.839 -237.244 GPRESSURE: 1542800 136.631 39.8425 162.57 -47.1917 -169.097 82.5842 96.9182 272.275 -200.173 PRESSAVG: 1542800 2.62531 -24.0156 20.85 -24.0156 21.7929 17.5829 20.85 17.5829 -8.49326 GPRESSAVG: 1542800 2.27479 -22.2937 22.1468 -26.3428 21.3847 17.7445 22.0174 19.0636 -7.34936 TIMING: 1542800 CPU: 4861.07, 0.00312413/step Wall: 4861.07, 0.00312413/step, 3.00021 hours remaining, 239.109375 MB of memory in use. ENERGY: 1542800 3905.1095 20659.3166 14443.1258 237.0416 -203217.0710 2407.7977 0.0000 0.0000 51972.4563 -109592.2235 298.6864 -161564.6798 -109224.0591 299.3275 -95.4001 -77.5460 760235.4090 5.3083 5.4367 PRESSURE: 1543000 -242.405 118.838 -280.033 118.838 -267.813 -142.573 -280.033 -142.571 -491.34 GPRESSURE: 1543000 -254.517 81.1304 -202.736 19.7444 -228.7 -221.239 -102.993 29.8341 -453.924 PRESSAVG: 1543000 33.5973 -34.1764 -35.7808 -34.1764 -42.2692 6.55319 -35.7808 6.55323 2.7042 GPRESSAVG: 1543000 33.6278 -36.1277 -34.512 -31.7925 -41.6001 6.20788 -35.8948 5.2015 2.32818 TIMING: 1543000 CPU: 4861.7, 0.0031263/step Wall: 4861.7, 0.0031263/step, 3.00211 hours remaining, 239.109375 MB of memory in use. ENERGY: 1543000 4068.5060 20535.9255 14446.4677 258.3561 -203331.8722 2347.7300 0.0000 0.0000 52040.1657 -109634.7211 299.0755 -161674.8868 -109279.0996 298.7626 -333.8527 -312.3803 762248.5825 -1.9892 -1.8813 PRESSURE: 1543200 -173.561 93.5203 -261.731 93.52 -321.374 112.983 -261.731 112.983 -169.895 GPRESSURE: 1543200 -173.466 32.7516 -120.759 -17.8913 -235.509 153.15 -166.135 186.95 -186.596 PRESSAVG: 1543200 45.3066 23.864 -7.64496 23.864 -63.3975 -2.43172 -7.6449 -2.43174 -16.9554 GPRESSAVG: 1543200 44.3939 24.399 -7.55674 22.3023 -61.7957 -2.2474 -7.38913 -1.7966 -17.9344 TIMING: 1543200 CPU: 4862.33, 0.00314943/step Wall: 4862.33, 0.00314943/step, 3.02415 hours remaining, 239.109375 MB of memory in use. ENERGY: 1543200 4012.9123 20455.4176 14558.5131 269.0859 -203232.2041 2489.2571 0.0000 0.0000 52012.2582 -109434.7599 298.9152 -161447.0181 -109076.1866 299.1284 -221.6101 -198.5235 760867.9789 -11.6821 -11.7788 PRESSURE: 1543400 -590.055 -152.453 226.55 -152.452 -542.06 -21.0758 226.549 -21.0762 -455.021 GPRESSURE: 1543400 -538.48 -32.8087 231.18 -107.349 -538.682 47.3909 40.1117 -153.723 -413.749 PRESSAVG: 1543400 -2.81015 26.7776 24.7351 26.7776 32.9215 -48.5117 24.7351 -48.5116 -3.70213 GPRESSAVG: 1543400 -3.0481 26.7767 24.7167 29.8161 31.758 -47.7441 22.2817 -48.9734 -2.2777 TIMING: 1543400 CPU: 4862.95, 0.00313953/step Wall: 4862.95, 0.00313953/step, 3.01447 hours remaining, 239.109375 MB of memory in use. ENERGY: 1543400 4002.5527 20569.0470 14549.2313 251.4094 -203139.5894 2126.0874 0.0000 0.0000 52026.3919 -109614.8697 298.9964 -161641.2616 -109248.8244 299.1832 -529.0451 -496.9706 760668.7730 8.8031 8.8107 PRESSURE: 1543600 -130.517 -182.952 153.281 -182.953 187.942 -188.466 153.282 -188.466 186.131 GPRESSURE: 1543600 8.3761 -133.032 163.727 -149.91 94.0451 -264.96 34.297 -156.202 226.02 PRESSAVG: 1543600 8.1177 15.8658 -11.8954 15.8658 15.1707 -29.0077 -11.8954 -29.0076 22.3168 GPRESSAVG: 1543600 9.55084 16.6087 -14.2368 14.0076 13.2552 -29.3982 -11.1569 -29.9565 22.6174 TIMING: 1543600 CPU: 4863.58, 0.00312884/step Wall: 4863.58, 0.00312884/step, 3.00404 hours remaining, 239.109375 MB of memory in use. ENERGY: 1543600 4019.9544 20435.8412 14465.5672 236.3689 -203002.4258 1989.5350 0.0000 0.0000 52289.6507 -109565.5084 300.5093 -161855.1591 -109203.5089 298.7562 81.1852 109.4805 760425.1661 15.2017 15.1411 PRESSURE: 1543800 187.477 166.687 -30.3397 166.687 -244.324 -141.375 -30.34 -141.375 -265.374 GPRESSURE: 1543800 252.647 154.89 -17.7224 128.54 -218.656 -105.471 -37.4026 -268.961 -263.084 PRESSAVG: 1543800 36.4248 26.8045 27.0186 26.8045 -37.8378 -55.4327 27.0186 -55.4327 3.90295 GPRESSAVG: 1543800 36.2418 26.7818 28.8135 27.1689 -36.1862 -54.807 25.5705 -55.5228 2.40489 TIMING: 1543800 CPU: 4864.2, 0.00311754/step Wall: 4864.2, 0.00311754/step, 2.99301 hours remaining, 239.109375 MB of memory in use. ENERGY: 1543800 4041.2265 20360.4901 14519.5972 240.8679 -203317.0290 2540.0468 0.0000 0.0000 52018.2519 -109596.5485 298.9496 -161614.8004 -109226.9483 298.5565 -107.4069 -76.3642 761621.9957 0.8300 0.8202 PRESSURE: 1544000 221.627 -30.9275 -107.963 -30.9273 27.2028 5.07689 -107.963 5.07585 438.501 GPRESSURE: 1544000 235.201 -79.5081 -87.2463 31.214 65.2224 12.9342 -114.598 -8.95688 454.194 PRESSAVG: 1544000 17.187 11.6529 27.1008 11.6529 -14.7161 -41.0233 27.1007 -41.0233 -1.72218 GPRESSAVG: 1544000 15.1789 11.2937 26.2675 11.3447 -12.5964 -41.745 27.9236 -41.8811 -1.41625 TIMING: 1544000 CPU: 4864.83, 0.00312583/step Wall: 4864.83, 0.00312583/step, 3.0008 hours remaining, 239.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1544000 3979.0675 20466.7898 14436.3080 254.1935 -203800.5340 2970.0293 0.0000 0.0000 52158.0155 -109536.1306 299.7528 -161694.1460 -109164.3041 298.8840 229.1104 251.5391 761203.7120 0.2496 0.3888 PRESSURE: 1544200 3.00201 -139.535 73.8037 -139.535 62.515 47.6565 73.8042 47.6562 -147.49 GPRESSURE: 1544200 68.9643 -377.531 34.6859 -97.6027 12.8465 -30.6342 248.918 70.0664 -92.2651 PRESSAVG: 1544200 56.1404 -25.5164 47.7737 -25.5164 -42.9383 -19.4176 47.7737 -19.4176 -9.73876 GPRESSAVG: 1544200 58.2029 -26.3431 48.2643 -23.6064 -46.0503 -19.1756 50.2838 -16.4339 -8.52773 TIMING: 1544200 CPU: 4865.46, 0.00313509/step Wall: 4865.46, 0.00313509/step, 3.00952 hours remaining, 239.109375 MB of memory in use. ENERGY: 1544200 4028.0118 20499.3425 14464.2678 252.7529 -203302.1086 2656.4249 0.0000 0.0000 51904.0664 -109497.2423 298.2934 -161401.3087 -109138.3135 299.1842 -27.3243 -3.4848 762060.7669 1.1544 1.2083 LDB: ============= START OF LOAD BALANCING ============== 4877.85 LDB: ============== END OF LOAD BALANCING =============== 4877.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4877.85 LDB: ============= START OF LOAD BALANCING ============== 4878.17 LDB: Largest compute 7062 load 0.031920 is 16.3% of average load 0.196026 LDB: Average compute 0.004381 is 2.2% of average load 0.196026 LDB: TIME 4878.17 LOAD: AVG 0.196026 MAX 0.215062 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.707 MB LDB: TIME 4878.17 LOAD: AVG 0.196026 MAX 0.215062 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: TIME 4878.17 LOAD: AVG 0.196026 MAX 0.215062 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: ============== END OF LOAD BALANCING =============== 4878.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4878.18 PRESSURE: 1544400 182.866 192.543 87.2414 192.543 -217.197 20.058 87.2413 20.0578 327.929 GPRESSURE: 1544400 168.53 201.941 81.1431 73.3443 -126.387 29.0174 66.8805 64.4919 345.596 PRESSAVG: 1544400 -25.877 3.67344 33.5629 3.67346 10.9641 7.78357 33.5629 7.78365 33.3199 GPRESSAVG: 1544400 -26.8212 4.55185 33.3154 1.42311 11.4594 8.06381 33.2919 5.90264 32.988 TIMING: 1544400 CPU: 4866.1, 0.00321327/step Wall: 4866.1, 0.00321327/step, 3.08438 hours remaining, 237.898438 MB of memory in use. ENERGY: 1544400 3997.4359 20248.8370 14516.2332 251.1635 -203353.3704 2506.5556 0.0000 0.0000 52253.0295 -109580.1157 300.2989 -161833.1452 -109209.9111 298.9547 97.8660 129.2462 761924.3004 6.1357 5.8754 PRESSURE: 1544600 -107.286 55.6449 139.816 55.6465 183.966 -176.709 139.815 -176.708 286.303 GPRESSURE: 1544600 -9.41157 -12.506 130.573 -6.88572 160.375 -130.994 43.8066 -102.998 304.345 PRESSAVG: 1544600 -9.37933 96.5572 13.5757 96.5572 13.5165 -21.0915 13.5757 -21.0916 -6.18747 GPRESSAVG: 1544600 -7.9415 95.5507 14.84 97.6702 13.4717 -21.6638 10.9534 -20.5693 -7.32611 TIMING: 1544600 CPU: 4866.73, 0.00313418/step Wall: 4866.73, 0.00313418/step, 3.00829 hours remaining, 237.898438 MB of memory in use. ENERGY: 1544600 3970.8222 20415.4377 14485.5037 238.9102 -203282.6868 2608.9934 0.0000 0.0000 51940.8104 -109622.2092 298.5046 -161563.0197 -109254.2547 298.7914 120.9944 151.7692 761743.8772 -0.6834 -0.5986 PRESSURE: 1544800 32.079 -22.8201 -154.858 -22.82 -31.1759 -51.6694 -154.858 -51.6691 -87.3757 GPRESSURE: 1544800 87.5884 -1.44802 -282.051 -2.13491 -9.21609 -40.1178 -123.723 -146.542 -108.046 PRESSAVG: 1544800 -46.4081 38.4523 29.4074 38.4523 71.3792 16.2366 29.4074 16.2365 -36.8683 GPRESSAVG: 1544800 -47.9681 37.9019 26.7404 36.878 70.9857 17.4312 30.1648 15.828 -35.2967 TIMING: 1544800 CPU: 4867.35, 0.0031461/step Wall: 4867.35, 0.0031461/step, 3.01956 hours remaining, 237.898438 MB of memory in use. ENERGY: 1544800 3895.2231 20539.1414 14489.5579 243.5033 -203219.3899 2382.2166 0.0000 0.0000 52235.9325 -109433.8151 300.2006 -161669.7476 -109068.5148 299.2086 -28.8242 -9.8912 761482.8325 -3.9657 -4.0930 PRESSURE: 1545000 86.1602 -228.018 -74.3538 -228.019 124.013 181.455 -74.3542 181.456 -182.067 GPRESSURE: 1545000 12.5159 -289.935 -66.738 -264.044 241.265 204.814 -91.2042 140.921 -148.489 PRESSAVG: 1545000 -46.2517 26.1685 -49.8957 26.1685 55.346 -6.83837 -49.8956 -6.83842 21.1487 GPRESSAVG: 1545000 -47.5118 29.1993 -48.7486 26.0277 56.8239 -7.75929 -47.9346 -6.6859 20.8527 TIMING: 1545000 CPU: 4867.98, 0.00314658/step Wall: 4867.98, 0.00314658/step, 3.01984 hours remaining, 237.898438 MB of memory in use. ENERGY: 1545000 3934.5452 20433.1139 14567.8390 263.5930 -203081.1947 2433.1230 0.0000 0.0000 52036.5378 -109412.4427 299.0547 -161448.9805 -109054.8680 298.8318 9.3688 35.0971 760585.4980 10.0810 10.0549 PRESSURE: 1545200 37.2063 -31.6006 -189.683 -31.5999 -160.649 -218.332 -189.683 -218.333 28.4712 GPRESSURE: 1545200 82.2086 84.8555 -124.855 -28.0299 -107.897 -204.524 -279.524 -320.259 8.72314 PRESSAVG: 1545200 7.26047 40.3572 -29.4453 40.3573 -0.182292 30.435 -29.4453 30.4351 2.07132 GPRESSAVG: 1545200 9.863 37.7279 -30.4768 41.2079 -0.285834 30.6434 -29.3264 29.9262 -0.0804596 TIMING: 1545200 CPU: 4868.61, 0.00314703/step Wall: 4868.61, 0.00314703/step, 3.0201 hours remaining, 237.898438 MB of memory in use. ENERGY: 1545200 3966.0503 20595.9429 14477.7848 248.4585 -203488.1450 2406.7156 0.0000 0.0000 52241.1287 -109552.0640 300.2305 -161793.1928 -109192.8863 299.0415 -31.6572 -5.6552 759135.0005 3.0498 3.1656 PRESSURE: 1545400 -18.1987 -63.8647 23.5088 -63.8645 45.4039 -24.3644 23.5082 -24.3649 397.464 GPRESSURE: 1545400 108.372 -103.146 122.152 92.3879 -82.0973 -25.319 135.657 2.9175 469.347 PRESSAVG: 1545400 -9.34078 22.4608 19.6647 22.4609 4.08372 18.1027 19.6647 18.1027 4.87087 GPRESSAVG: 1545400 -10.4145 21.7702 22.7009 23.7049 3.71521 17.3327 19.0801 19.1543 6.7849 TIMING: 1545400 CPU: 4869.24, 0.00314677/step Wall: 4869.24, 0.00314677/step, 3.01967 hours remaining, 237.898438 MB of memory in use. ENERGY: 1545400 4029.7356 20450.1314 14476.9833 233.3735 -203113.2679 2588.0470 0.0000 0.0000 51912.5486 -109422.4486 298.3421 -161334.9972 -109065.2763 299.1068 141.5564 165.2070 761488.6639 -0.1287 0.0285 PRESSURE: 1545600 -287.907 -49.0473 202.764 -49.0472 235.741 -26.6628 202.765 -26.6645 -307.573 GPRESSURE: 1545600 -190.331 -17.3582 220.145 107.294 155.85 1.16807 94.1927 -18.5491 -246.53 PRESSAVG: 1545600 -32.4523 -16.5143 -23.2725 -16.5143 73.6052 4.38561 -23.2725 4.38562 18.9446 GPRESSAVG: 1545600 -33.3625 -13.4022 -25.6327 -17.7792 73.2468 6.32468 -23.4085 3.01161 19.4662 TIMING: 1545600 CPU: 4869.87, 0.00315626/step Wall: 4869.87, 0.00315626/step, 3.02861 hours remaining, 237.898438 MB of memory in use. ENERGY: 1545600 4006.2537 20461.2036 14457.3572 236.6114 -203006.3348 2354.1328 0.0000 0.0000 52127.6341 -109363.1420 299.5782 -161490.7761 -108999.7158 299.4734 -119.9130 -93.6702 761720.1885 20.0325 19.7835 PRESSURE: 1545800 145.701 -57.2242 -152.047 -57.2245 -302.31 161.311 -152.048 161.313 -18.7457 GPRESSURE: 1545800 145.856 -73.0011 -180.987 -83.1322 -223.944 77.9618 -146.133 142.559 -15.2794 PRESSAVG: 1545800 1.42892 21.0997 44.0976 21.0997 19.5242 15.2009 44.0976 15.2009 -1.90744 GPRESSAVG: 1545800 1.54564 18.7393 44.1905 21.7364 21.0884 14.9277 44.0861 15.3503 -3.69691 TIMING: 1545800 CPU: 4870.5, 0.00312878/step Wall: 4870.5, 0.00312878/step, 3.00207 hours remaining, 237.898438 MB of memory in use. ENERGY: 1545800 3963.4734 20483.8948 14523.1680 254.9005 -203118.0716 2515.3893 0.0000 0.0000 51944.6151 -109432.6305 298.5264 -161377.2456 -109078.8249 299.1313 -58.4515 -31.1226 761809.5537 6.3486 6.3124 PRESSURE: 1546000 -51.119 -12.8239 -148.807 -12.8243 -161.778 114.361 -148.807 114.359 -450.574 GPRESSURE: 1546000 -66.5853 -20.8522 -149.627 -24.2328 -87.2422 124.572 -88.7829 66.7255 -399.75 PRESSAVG: 1546000 5.24359 11.4925 41.3231 11.4924 11.2619 12.6865 41.3231 12.6865 -6.34564 GPRESSAVG: 1546000 4.48971 10.7785 43.0454 12.6684 9.69572 13.3127 39.9665 13.0827 -4.28113 TIMING: 1546000 CPU: 4871.13, 0.00313638/step Wall: 4871.13, 0.00313638/step, 3.00918 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1546000 3978.4053 20456.0679 14457.7593 257.7893 -203133.2450 2501.4989 0.0000 0.0000 52096.8484 -109384.8757 299.4013 -161481.7242 -109030.0776 299.0414 -221.1571 -184.5259 763164.6684 3.3866 3.3014 PRESSURE: 1546200 -62.841 10.9745 56.7293 10.9752 100.307 -124.324 56.7281 -124.324 -354.618 GPRESSURE: 1546200 92.4234 98.1116 33.1158 9.88848 14.1362 -129.344 36.2433 -71.7654 -343.819 PRESSAVG: 1546200 -16.9175 -6.35904 36.7312 -6.35903 -19.1205 -11.271 36.7312 -11.2711 15.3456 GPRESSAVG: 1546200 -16.6401 -4.71349 35.7635 -7.27547 -17.903 -12.1434 36.5521 -10.1253 13.5252 TIMING: 1546200 CPU: 4871.75, 0.00312692/step Wall: 4871.75, 0.00312692/step, 2.99993 hours remaining, 237.898438 MB of memory in use. ENERGY: 1546200 3991.3777 20419.0261 14465.7575 237.7683 -203165.8954 2592.2321 0.0000 0.0000 52101.2611 -109358.4724 299.4267 -161459.7336 -109006.7671 299.3560 -105.7173 -79.0866 762141.3606 -6.8975 -7.0059 PRESSURE: 1546400 80.431 180.855 270.203 180.855 -153.287 -55.7724 270.203 -55.7734 192.481 GPRESSURE: 1546400 178.724 60.8442 389.928 66.3805 -186.744 -73.8706 181.963 -41.8552 191.039 PRESSAVG: 1546400 -0.0848464 18.2548 28.8348 18.2548 -35.1614 6.59184 28.8348 6.5918 25.8336 GPRESSAVG: 1546400 1.24069 17.3589 27.4398 16.9909 -36.8766 6.37203 29.0774 5.37154 26.2624 TIMING: 1546400 CPU: 4872.38, 0.00311552/step Wall: 4872.38, 0.00311552/step, 2.98882 hours remaining, 237.898438 MB of memory in use. ENERGY: 1546400 3909.4561 20498.5918 14406.2904 253.7947 -203194.3512 2579.3379 0.0000 0.0000 52172.3138 -109374.5665 299.8350 -161546.8803 -109011.8973 299.2896 39.8750 61.0064 762567.0142 -3.1375 -3.1245 PRESSURE: 1546600 -172.722 -112.263 8.15158 -112.263 49.5983 61.3698 8.15176 61.3692 -146.082 GPRESSURE: 1546600 -71.7386 -98.8069 42.6587 -112.455 16.9554 168.164 -58.2661 107.213 -166.309 PRESSAVG: 1546600 -2.35797 -68.1386 31.5725 -68.1386 -4.99461 -15.0392 31.5725 -15.0392 2.29291 GPRESSAVG: 1546600 -3.51444 -67.1437 31.2586 -67.3823 -3.32875 -15.11 32.9456 -16.5519 1.30474 TIMING: 1546600 CPU: 4873, 0.0031085/step Wall: 4873, 0.0031085/step, 2.98191 hours remaining, 237.898438 MB of memory in use. ENERGY: 1546600 4043.0435 20553.0603 14465.9247 240.4169 -203043.8369 2458.1835 0.0000 0.0000 52028.1256 -109255.0825 299.0064 -161283.2081 -108896.1251 299.7867 -89.7350 -73.6974 762832.4206 -1.6866 -1.8462 PRESSURE: 1546800 258.48 266.861 -2.00346 266.86 -144.174 116.466 -2.00328 116.466 -143.128 GPRESSURE: 1546800 249.157 258.894 -76.1337 232.523 -85.8785 127.928 -127.064 151.206 -109.099 PRESSAVG: 1546800 58.2903 -18.8785 67.3912 -18.8784 11.7812 14.4573 67.3912 14.4573 31.3968 GPRESSAVG: 1546800 57.4753 -18.0493 67.4472 -20.6457 11.6659 13.897 66.3416 17.5927 32.2208 TIMING: 1546800 CPU: 4873.62, 0.00311235/step Wall: 4873.62, 0.00311235/step, 2.98543 hours remaining, 237.898438 MB of memory in use. ENERGY: 1546800 3935.0193 20550.5079 14445.3425 242.7368 -203153.8884 2637.8621 0.0000 0.0000 52072.4766 -109269.9432 299.2612 -161342.4198 -108922.5091 299.3948 -9.6072 18.0597 762500.5860 33.8227 33.7873 PRESSURE: 1547000 -343.358 -25.8081 -65.4065 -25.8091 -105.809 97.8345 -65.4055 97.8347 -158.454 GPRESSURE: 1547000 -184.005 -73.9284 -78.218 -66.2628 -108.117 107.235 -55.163 -54.7498 -240.401 PRESSAVG: 1547000 43.0475 18.0772 -8.0506 18.0772 20.5401 43.5148 -8.05063 43.5148 -6.74697 GPRESSAVG: 1547000 44.5158 15.8245 -8.55426 19.1334 20.0808 45.4912 -7.2375 43.9504 -7.548 TIMING: 1547000 CPU: 4874.24, 0.00312088/step Wall: 4874.24, 0.00312088/step, 2.99344 hours remaining, 237.898438 MB of memory in use. ENERGY: 1547000 4050.7008 20426.3531 14411.8445 218.2793 -202925.2491 2475.1744 0.0000 0.0000 52195.4830 -109147.4140 299.9682 -161342.8970 -108790.5265 299.5182 -202.5402 -177.5077 762558.5765 18.9469 19.0162 PRESSURE: 1547200 -19.0773 43.3736 126.878 43.3736 199.339 -62.8099 126.878 -62.8089 -125.73 GPRESSURE: 1547200 35.3477 22.5755 111.465 56.5799 160.894 -96.222 146.129 -123.284 -55.6999 PRESSAVG: 1547200 16.0692 33.383 33.3693 33.3831 -37.2956 13.2282 33.3694 13.2282 -24.5965 GPRESSAVG: 1547200 14.6727 32.9678 34.2757 33.8051 -38.0751 10.4657 32.8366 13.0644 -22.9685 TIMING: 1547200 CPU: 4874.87, 0.00311605/step Wall: 4874.87, 0.00311605/step, 2.98864 hours remaining, 237.898438 MB of memory in use. ENERGY: 1547200 3994.9206 20473.5479 14403.6165 246.0990 -202983.0436 2537.3211 0.0000 0.0000 52019.5994 -109307.9391 298.9574 -161327.5385 -108948.4454 299.5940 18.1770 46.8471 762864.2929 -15.2743 -15.4569 PRESSURE: 1547400 -61.2265 -41.4094 -90.6864 -41.4094 92.7127 -280.478 -90.686 -280.479 249.376 GPRESSURE: 1547400 16.4003 -21.2326 -196.046 18.2874 121.969 -288.303 -82.4367 -204.498 250.79 PRESSAVG: 1547400 9.49964 41.438 21.2171 41.438 -48.8022 -22.0878 21.2171 -22.0878 19.9511 GPRESSAVG: 1547400 9.49669 44.4874 20.705 39.8974 -47.6867 -20.2131 22.2 -24.5691 18.6354 TIMING: 1547400 CPU: 4875.49, 0.00313654/step Wall: 4875.49, 0.00313654/step, 3.00812 hours remaining, 237.898438 MB of memory in use. ENERGY: 1547400 4043.1080 20495.9400 14418.9717 250.5290 -203656.7271 3049.3589 0.0000 0.0000 52143.5374 -109255.2820 299.6696 -161398.8194 -108892.2325 299.6918 93.6207 129.7199 762557.1790 -6.4505 -6.5182 PRESSURE: 1547600 59.5985 -121.579 -310.173 -121.578 365.01 100.667 -310.173 100.667 1.92327 GPRESSURE: 1547600 153.231 -250.978 -308.283 -42.2689 398.299 -36.0784 -203.174 98.6546 -40.5389 PRESSAVG: 1547600 10.4046 -22.728 -37.7521 -22.728 23.5692 -30.8168 -37.752 -30.8168 8.7429 GPRESSAVG: 1547600 11.9658 -25.391 -36.3646 -20.6567 21.0013 -31.9486 -38.5206 -28.7961 9.34121 TIMING: 1547600 CPU: 4876.12, 0.0031221/step Wall: 4876.12, 0.0031221/step, 2.99409 hours remaining, 237.898438 MB of memory in use. ENERGY: 1547600 3876.7875 20483.8677 14472.7964 246.6710 -203348.9892 2726.4578 0.0000 0.0000 52111.1860 -109431.2229 299.4837 -161542.4089 -109063.0058 299.8106 142.1773 170.3303 759711.7648 14.2389 14.1028 PRESSURE: 1547800 -146.741 52.3203 -68.6854 52.3195 135.599 95.7284 -68.6855 95.7301 303.064 GPRESSURE: 1547800 -121.391 -68.3321 -60.9058 -27.8162 155.525 165.619 -31.7386 76.0413 331.499 PRESSAVG: 1547800 -11.9833 7.20113 -5.52635 7.20114 -16.5926 -41.3552 -5.52632 -41.3552 -5.11372 GPRESSAVG: 1547800 -13.4896 7.98877 -6.85382 5.98799 -14.6701 -39.9545 -5.36983 -40.0838 -6.29847 TIMING: 1547800 CPU: 4876.74, 0.00311632/step Wall: 4876.74, 0.00311632/step, 2.98838 hours remaining, 237.898438 MB of memory in use. ENERGY: 1547800 3942.5868 20312.5275 14430.9807 234.1012 -203299.9523 2547.9108 0.0000 0.0000 52012.7632 -109819.0821 298.9181 -161831.8453 -109444.8144 298.8895 97.3072 121.8777 762136.3419 -11.2298 -11.4860 PRESSURE: 1548000 146.316 -120.003 -50.3854 -120.002 -316.844 169.962 -50.3859 169.962 -75.6946 GPRESSURE: 1548000 153.975 -176.258 -71.5046 -105.246 -220.415 63.1802 -130.961 127.393 -69.2316 PRESSAVG: 1548000 -34.4873 -5.88585 34.2791 -5.8859 35.1155 -15.4575 34.2791 -15.4574 -14.5285 GPRESSAVG: 1548000 -34.853 -9.31491 34.5707 -4.20557 34.3254 -16.0231 32.8128 -15.6002 -13.0614 TIMING: 1548000 CPU: 4877.37, 0.00312697/step Wall: 4877.37, 0.00312697/step, 2.99842 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1548000 4072.8957 20391.8902 14496.6489 256.9481 -203957.6664 2989.7537 0.0000 0.0000 51759.5266 -109990.0031 297.4627 -161749.5298 -109637.9013 298.3233 -82.0743 -45.2237 761283.3466 -4.6334 -4.5296 PRESSURE: 1548200 -39.1797 -37.5226 37.064 -37.5221 -142.004 -103.898 37.0641 -103.898 -391.605 GPRESSURE: 1548200 10.2491 49.0101 24.1538 -61.6157 -156.716 -150.262 36.2382 -92.6663 -327.357 PRESSAVG: 1548200 -8.82431 17.4257 -13.8579 17.4257 -29.0759 -21.0727 -13.8579 -21.0728 1.33631 GPRESSAVG: 1548200 -8.35935 19.9165 -13.2169 19.0349 -27.9115 -21.6821 -11.8385 -23.1995 -0.171616 TIMING: 1548200 CPU: 4877.99, 0.00311601/step Wall: 4877.99, 0.00311601/step, 2.98774 hours remaining, 237.898438 MB of memory in use. ENERGY: 1548200 4029.9753 20345.0820 14370.0914 242.8540 -203792.2096 2789.5193 0.0000 0.0000 52054.0152 -109960.6724 299.1551 -162014.6876 -109597.7978 297.8384 -190.9297 -157.9413 761874.9335 -12.1880 -12.1475 LDB: ============= START OF LOAD BALANCING ============== 4890.38 LDB: ============== END OF LOAD BALANCING =============== 4890.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4890.39 LDB: ============= START OF LOAD BALANCING ============== 4890.7 LDB: Largest compute 7062 load 0.032274 is 16.5% of average load 0.196044 LDB: Average compute 0.004366 is 2.2% of average load 0.196044 LDB: TIME 4890.7 LOAD: AVG 0.196044 MAX 0.218521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 4890.7 LOAD: AVG 0.196044 MAX 0.218521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 4890.7 LOAD: AVG 0.196044 MAX 0.218521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: ============== END OF LOAD BALANCING =============== 4890.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4890.71 PRESSURE: 1548400 -122.462 38.125 139.109 38.1252 -43.9208 4.83615 139.108 4.83523 29.7096 GPRESSURE: 1548400 -55.1814 9.25113 106.958 20.5727 -46.0528 -43.6326 138.05 -0.424009 42.5589 PRESSAVG: 1548400 -9.20335 6.3609 24.6491 6.36088 15.8514 -19.8547 24.649 -19.8547 -3.675 GPRESSAVG: 1548400 -7.60033 6.20277 24.9301 4.87635 13.0879 -19.5481 21.89 -17.9499 -3.02726 TIMING: 1548400 CPU: 4878.63, 0.00317899/step Wall: 4878.63, 0.00317899/step, 3.04794 hours remaining, 238.601562 MB of memory in use. ENERGY: 1548400 4081.1339 20509.2197 14463.9485 252.3323 -203773.9654 2738.4255 0.0000 0.0000 51804.8374 -109924.0681 297.7231 -161728.9055 -109570.5331 297.9894 -45.5576 -19.5584 761212.9154 0.9910 0.8201 PRESSURE: 1548600 235.395 60.6247 52.8795 60.6245 272.546 -25.7781 52.8797 -25.7781 -11.4159 GPRESSURE: 1548600 193.61 -96.3048 31.0366 -46.6393 315.747 -123.426 -104.922 2.6206 53.3639 PRESSAVG: 1548600 38.2433 -23.831 -23.5443 -23.831 -33.6525 -50.4365 -23.5444 -50.4365 -5.0922 GPRESSAVG: 1548600 36.4183 -24.84 -24.6704 -24.2626 -31.723 -50.1523 -22.1288 -51.0775 -4.56356 TIMING: 1548600 CPU: 4879.25, 0.00310691/step Wall: 4879.25, 0.00310691/step, 2.97867 hours remaining, 238.746094 MB of memory in use. ENERGY: 1548600 4012.2653 20402.3419 14498.7462 247.3026 -203949.3560 2948.5880 0.0000 0.0000 52116.5408 -109723.5711 299.5145 -161840.1119 -109360.7164 298.4067 165.5081 187.5737 761167.9958 -0.1671 0.0439 PRESSURE: 1548800 -71.5605 -196.473 -132.582 -196.472 -281.5 -41.2405 -132.583 -41.2405 -87.8541 GPRESSURE: 1548800 -79.4068 -101.121 -113.282 -210.6 -197.813 -44.2461 -37.1486 -101.261 -67.623 PRESSAVG: 1548800 57.8622 -21.3697 14.848 -21.3697 -30.8049 -0.347108 14.8479 -0.34708 14.463 GPRESSAVG: 1548800 59.1156 -21.5822 14.827 -22.8097 -31.9588 0.252261 14.6975 -1.39486 13.877 TIMING: 1548800 CPU: 4879.88, 0.00314067/step Wall: 4879.88, 0.00314067/step, 3.01086 hours remaining, 238.746094 MB of memory in use. ENERGY: 1548800 4030.6634 20364.5468 14387.5431 241.2714 -203918.5889 2959.3845 0.0000 0.0000 52166.3959 -109768.7837 299.8010 -161935.1796 -109394.4287 298.6457 -146.9717 -114.9476 761140.2364 13.8401 13.6779 PRESSURE: 1549000 85.0717 9.82325 33.3648 9.82288 339.084 -136.726 33.3648 -136.726 64.1014 GPRESSURE: 1549000 207.112 -136.766 -14.8762 65.4142 214.544 -175.195 75.9227 -97.5984 124.993 PRESSAVG: 1549000 71.1188 19.7454 12.7237 19.7454 -27.5095 -94.4051 12.7238 -94.405 18.4238 GPRESSAVG: 1549000 70.9143 20.741 13.0829 20.3472 -26.9578 -95.2759 11.9228 -91.544 18.1318 TIMING: 1549000 CPU: 4880.5, 0.00311193/step Wall: 4880.5, 0.00311193/step, 2.98313 hours remaining, 238.746094 MB of memory in use. ENERGY: 1549000 3940.3897 20357.5229 14446.3065 240.7667 -203535.0644 2756.6881 0.0000 0.0000 52187.1377 -109606.2528 299.9202 -161793.3905 -109230.5450 298.8697 162.7523 182.2163 763029.4672 20.6777 20.6961 PRESSURE: 1549200 -33.2232 12.5171 182.594 12.5167 -112.395 -62.8072 182.594 -62.8082 -329.219 GPRESSURE: 1549200 -42.2125 62.2199 122.744 -71.8805 -99.6131 -133.809 264.003 -43.4797 -262.482 PRESSAVG: 1549200 5.16576 44.1421 -32.0281 44.1422 22.5664 -0.453431 -32.0281 -0.453559 8.57942 GPRESSAVG: 1549200 4.723 45.8441 -32.2422 45.6314 22.7095 1.2284 -29.059 -1.64287 9.07924 TIMING: 1549200 CPU: 4881.13, 0.00313301/step Wall: 4881.13, 0.00313301/step, 3.00316 hours remaining, 238.746094 MB of memory in use. ENERGY: 1549200 4009.4808 20577.3905 14469.9609 257.7797 -203297.7369 2521.8213 0.0000 0.0000 51877.5796 -109583.7241 298.1412 -161461.3037 -109225.7466 298.7992 -158.2791 -134.7691 760414.0513 12.1039 12.1706 PRESSURE: 1549400 -342.018 -206.444 5.92718 -206.443 -131.165 -160.255 5.9284 -160.255 23.1261 GPRESSURE: 1549400 -202.834 -283.585 33.1968 -267.464 -122.27 -133.653 23.3407 -76.3779 -32.0312 PRESSAVG: 1549400 -15.2482 9.16798 53.8846 9.16801 3.56064 8.94205 53.8846 8.94211 -9.77893 GPRESSAVG: 1549400 -15.1101 6.03615 53.3847 8.98722 3.07927 7.01724 53.1557 11.8766 -9.69628 TIMING: 1549400 CPU: 4881.75, 0.00312196/step Wall: 4881.75, 0.00312196/step, 2.9924 hours remaining, 238.746094 MB of memory in use. ENERGY: 1549400 4103.1937 20613.9605 14462.0577 248.6277 -203612.9812 2621.3133 0.0000 0.0000 52209.1500 -109354.6782 300.0467 -161563.8282 -108993.7391 299.6358 -150.0190 -119.0450 761835.8257 -7.1555 -7.2424 PRESSURE: 1549600 -36.7385 37.0311 2.94876 37.0312 -174.245 98.3179 2.94938 98.3194 -146.669 GPRESSURE: 1549600 48.2629 52.8732 81.8806 47.0954 -176.328 119.71 49.0257 17.6694 -148.792 PRESSAVG: 1549600 -28.154 -47.2844 -22.0309 -47.2844 -3.73837 2.19747 -22.031 2.19751 -9.907 GPRESSAVG: 1549600 -29.4134 -46.89 -22.325 -48.4078 -2.9341 4.49447 -23.8682 -1.74035 -9.93544 TIMING: 1549600 CPU: 4882.38, 0.00312962/step Wall: 4882.38, 0.00312962/step, 2.99956 hours remaining, 238.746094 MB of memory in use. ENERGY: 1549600 4069.3769 20462.2163 14489.3821 229.3886 -203422.6991 2596.2660 0.0000 0.0000 52098.3760 -109477.6931 299.4101 -161576.0691 -109105.9316 299.3401 -119.2174 -92.2856 761797.8617 -13.9331 -14.0943 PRESSURE: 1549800 253.381 98.7194 73.8469 98.7199 395.384 -114.992 73.8468 -114.992 420.398 GPRESSURE: 1549800 305.682 8.54614 83.7781 114.467 346.731 -147.261 -93.7113 9.40269 505.82 PRESSAVG: 1549800 50.6477 45.8701 -31.2178 45.8702 4.24438 22.3624 -31.2178 22.3624 -13.1923 GPRESSAVG: 1549800 51.2499 46.4301 -31.884 46.7219 2.69158 20.9013 -29.4772 24.227 -12.3914 TIMING: 1549800 CPU: 4883.01, 0.00315089/step Wall: 4883.01, 0.00315089/step, 3.01977 hours remaining, 238.746094 MB of memory in use. ENERGY: 1549800 4025.6301 20565.7911 14448.0265 247.4478 -203369.9423 2780.3647 0.0000 0.0000 52204.6068 -109098.0753 300.0206 -161302.6821 -108733.4750 299.5576 356.3878 386.0774 760843.3809 13.8999 13.8500 PRESSURE: 1550000 -159.13 -52.8254 66.6305 -52.8249 -66.6279 93.4273 66.6306 93.427 357.635 GPRESSURE: 1550000 -163.551 -209.377 44.4891 -190.785 26.8387 62.4195 135.456 113.949 353.144 PRESSAVG: 1550000 24.5423 -13.2123 -49.2797 -13.2122 -42.5322 29.9282 -49.2797 29.9282 6.58462 GPRESSAVG: 1550000 23.108 -13.7894 -49.9687 -12.3634 -40.7271 31.2437 -50.0715 29.0344 6.12161 TIMING: 1550000 CPU: 4883.63, 0.00313037/step Wall: 4883.63, 0.00313037/step, 2.99994 hours remaining, 238.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1550000 4055.5917 20671.5828 14514.0745 280.0698 -203788.5642 2937.1081 0.0000 0.0000 52311.2734 -109018.8641 300.6336 -161330.1374 -108652.3504 300.1635 43.9589 72.1439 763029.9443 -3.8018 -3.8325 PRESSURE: 1550200 29.5511 -33.0503 -45.7403 -33.0503 -270.417 236.841 -45.7388 236.842 -228.054 GPRESSURE: 1550200 -9.95926 -62.9243 -21.1955 66.7648 -175.509 159.712 -1.65946 110.473 -220.127 PRESSAVG: 1550200 -47.3806 -1.79815 -50.6995 -1.79818 9.68521 9.16601 -50.6996 9.1661 -14.1928 GPRESSAVG: 1550200 -45.9884 -0.758176 -49.6849 -3.48384 8.09746 8.60794 -50.4333 8.90716 -14.1091 TIMING: 1550200 CPU: 4884.26, 0.00314664/step Wall: 4884.26, 0.00314664/step, 3.01535 hours remaining, 238.746094 MB of memory in use. ENERGY: 1550200 4115.8180 20669.0952 14413.3057 254.3194 -203687.7653 2839.4249 0.0000 0.0000 52125.9691 -109269.8330 299.5687 -161395.8021 -108905.2846 300.2884 -156.3067 -135.1985 763566.9979 -17.2961 -17.3333 PRESSURE: 1550400 -196.219 17.5092 -113.883 17.5086 -129.693 -56.4108 -113.884 -56.4108 -116.504 GPRESSURE: 1550400 -128.665 -20.4266 -53.9949 -66.8998 -69.1339 74.5154 -186.808 -25.3826 -173.802 PRESSAVG: 1550400 -12.7763 8.70077 14.4743 8.70075 24.7608 55.9 14.4743 55.9001 29.4992 GPRESSAVG: 1550400 -13.6978 4.85566 15.5 9.33214 25.2217 56.5052 14.1385 55.7182 30.0733 TIMING: 1550400 CPU: 4884.89, 0.00313863/step Wall: 4884.89, 0.00313863/step, 3.00751 hours remaining, 238.746094 MB of memory in use. ENERGY: 1550400 3970.4944 20669.6742 14490.0375 271.1601 -203630.2004 2913.5640 0.0000 0.0000 52077.1704 -109238.0997 299.2882 -161315.2702 -108876.3605 299.8007 -147.4717 -123.8670 761166.3912 13.8279 13.8657 PRESSURE: 1550600 -76.4645 -32.0522 -26.9203 -32.0525 143.752 -15.0415 -26.921 -15.0412 71.2429 GPRESSURE: 1550600 7.8946 -180.582 -30.7386 -21.1065 174.467 5.30973 -104.989 47.5398 37.1667 PRESSAVG: 1550600 -3.14943 -16.383 -4.4529 -16.3831 19.2236 -17.7502 -4.45293 -17.7504 1.66911 GPRESSAVG: 1550600 -3.74371 -13.5383 -6.04833 -17.0396 19.9344 -18.8855 -4.66744 -15.373 1.49048 TIMING: 1550600 CPU: 4885.52, 0.00313357/step Wall: 4885.52, 0.00313357/step, 3.00248 hours remaining, 238.746094 MB of memory in use. ENERGY: 1550600 4057.7285 20602.6675 14540.9584 232.7205 -203655.4259 2721.2339 0.0000 0.0000 52243.5766 -109256.5406 300.2446 -161500.1171 -108894.3668 299.5788 46.1770 73.1762 762148.8490 5.9144 5.8937 PRESSURE: 1550800 57.8962 -136.402 67.5187 -136.402 213.192 -32.1591 67.5187 -32.1587 382.322 GPRESSURE: 1550800 190.76 -85.3311 89.5569 21.3815 175.264 7.2066 119.333 -231.192 388.219 PRESSAVG: 1550800 -3.66021 -33.0329 10.3522 -33.0329 -7.25972 5.0138 10.3522 5.01386 12.0579 GPRESSAVG: 1550800 -2.17984 -31.9864 10.2462 -34.4649 -7.90123 5.87233 11.9335 3.4464 11.0788 TIMING: 1550800 CPU: 4886.15, 0.00315161/step Wall: 4886.15, 0.00315161/step, 3.0196 hours remaining, 238.746094 MB of memory in use. ENERGY: 1550800 4028.6794 20441.7032 14438.5747 245.2727 -203858.4648 2952.0921 0.0000 0.0000 52308.0573 -109444.0852 300.6151 -161752.1425 -109089.0551 299.5462 217.8032 251.4145 759978.9724 0.3793 0.3326 PRESSURE: 1551000 -84.2562 -223.394 -117.986 -223.395 -378.501 -235.303 -117.986 -235.302 212.272 GPRESSURE: 1551000 -158.05 -185.134 -103.221 -92.7649 -177.452 -185.668 -243.607 -250.46 171.117 PRESSAVG: 1551000 -1.24739 -61.4496 -51.1856 -61.4496 23.388 10.4691 -51.1857 10.4691 3.61525 GPRESSAVG: 1551000 -0.87653 -63.4748 -50.1052 -59.2381 22.2931 10.6401 -50.0679 8.819 4.60546 TIMING: 1551000 CPU: 4886.78, 0.00315974/step Wall: 4886.78, 0.00315974/step, 3.02721 hours remaining, 238.746094 MB of memory in use. ENERGY: 1551000 4055.7753 20475.7026 14558.8808 233.4837 -203455.9436 2573.9155 0.0000 0.0000 52103.1673 -109455.0184 299.4376 -161558.1857 -109087.1229 299.4137 -83.4952 -54.7950 760943.2430 8.5853 8.6740 PRESSURE: 1551200 -516.305 -65.2851 -10.2708 -65.2856 -506.664 47.4913 -10.2705 47.4922 -124.298 GPRESSURE: 1551200 -405.476 -75.095 4.74855 -86.3218 -409.266 156.418 -42.9216 121.069 -262.289 PRESSAVG: 1551200 2.39576 -30.0179 -10.1165 -30.018 49.9611 23.1064 -10.1165 23.1064 22.2789 GPRESSAVG: 1551200 1.40348 -30.2475 -10.3209 -30.0812 50.1185 24.2062 -12.5189 23.8981 22.4737 TIMING: 1551200 CPU: 4887.41, 0.00316945/step Wall: 4887.41, 0.00316945/step, 3.03633 hours remaining, 238.746094 MB of memory in use. ENERGY: 1551200 4034.7379 20346.9656 14499.7121 271.8158 -202796.1514 2022.6497 0.0000 0.0000 52324.0288 -109296.2415 300.7069 -161620.2703 -108926.7604 299.4826 -382.4222 -359.0103 761281.3893 24.8786 24.6652 PRESSURE: 1551400 -218.864 299.02 -135.247 299.019 -11.3725 94.0453 -135.248 94.0449 -249.488 GPRESSURE: 1551400 -187.073 138.693 -138.377 201.018 -82.7441 62.2702 -192.516 140.971 -148.457 PRESSAVG: 1551400 -90.9379 -12.6522 10.8599 -12.6522 102.778 33.7505 10.8599 33.7504 29.6618 GPRESSAVG: 1551400 -89.7597 -12.3975 10.6343 -12.2915 101.704 32.7415 11.3431 31.9642 29.1858 TIMING: 1551400 CPU: 4888.05, 0.00317111/step Wall: 4888.05, 0.00317111/step, 3.03775 hours remaining, 238.746094 MB of memory in use. ENERGY: 1551400 4030.1323 20577.0899 14532.0824 254.5539 -203276.8588 2445.3532 0.0000 0.0000 52304.8623 -109132.7848 300.5968 -161437.6471 -108770.7243 300.3316 -159.9080 -139.4246 760677.1311 13.8341 13.7100 PRESSURE: 1551600 191.222 -177.436 178.592 -177.435 281.325 -90.9719 178.592 -90.9709 -280.705 GPRESSURE: 1551600 196.506 -201.02 212.075 -174.446 333.459 -131.831 57.3533 -119.437 -266.981 PRESSAVG: 1551600 20.3976 21.7052 -53.4347 21.7052 -13.6803 -25.2961 -53.4346 -25.2961 -0.624268 GPRESSAVG: 1551600 20.6121 23.8544 -51.6745 21.2423 -13.3108 -25.3547 -54.7301 -25.04 -1.27213 TIMING: 1551600 CPU: 4888.68, 0.00317109/step Wall: 4888.68, 0.00317109/step, 3.03755 hours remaining, 238.746094 MB of memory in use. ENERGY: 1551600 4027.3407 20693.5183 14428.9173 246.1582 -203296.3726 2805.9981 0.0000 0.0000 52154.2845 -108940.1555 299.7314 -161094.4401 -108592.4217 300.1812 63.9471 87.6613 760831.6708 2.0310 2.0097 PRESSURE: 1551800 -22.6849 66.0608 -129.091 66.0601 -694.275 -67.2997 -129.091 -67.3003 1.12241 GPRESSURE: 1551800 -64.6826 93.5506 -48.4715 -48.9869 -584.05 -85.9348 -255.683 -76.6167 11.2473 PRESSAVG: 1551800 -58.9819 -2.20279 -17.2272 -2.20276 45.0842 11.2275 -17.2272 11.2276 -12.4204 GPRESSAVG: 1551800 -60.7389 -4.02041 -18.0167 -2.82691 45.7434 12.2816 -14.6056 12.5538 -11.3946 TIMING: 1551800 CPU: 4889.31, 0.00315619/step Wall: 4889.31, 0.00315619/step, 3.0231 hours remaining, 238.746094 MB of memory in use. ENERGY: 1551800 4017.0852 20632.9706 14514.9702 231.7216 -202943.7298 2313.6641 0.0000 0.0000 52045.8119 -109187.5062 299.1080 -161233.3180 -108834.7852 300.6780 -238.6125 -212.4951 761807.2315 -8.7727 -8.7967 PRESSURE: 1552000 -41.8577 -118.459 -58.2724 -118.46 20.0992 -185.602 -58.272 -185.603 -238.728 GPRESSURE: 1552000 -39.2045 -194.992 -49.8891 -60.9693 20.6262 -227.76 -24.4122 -201.862 -182.803 PRESSAVG: 1552000 -63.0376 -35.2719 -31.3833 -35.2719 41.7399 -43.624 -31.3834 -43.6239 -0.173268 GPRESSAVG: 1552000 -61.9984 -34.2185 -32.7647 -35.1881 41.8371 -44.3423 -31.8102 -44.4496 -0.327996 TIMING: 1552000 CPU: 4889.94, 0.00316719/step Wall: 4889.94, 0.00316719/step, 3.03346 hours remaining, 238.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1552000 3983.0238 20604.5867 14513.2098 248.7136 -203211.2075 2483.7703 0.0000 0.0000 52166.2019 -109211.7013 299.7999 -161377.9032 -108839.7675 300.0517 -86.8287 -67.1273 761313.7913 -7.1570 -6.8298 PRESSURE: 1552200 -130.326 -242.048 -50.8326 -242.047 -64.8759 61.3453 -50.8332 61.3452 -41.9453 GPRESSURE: 1552200 -80.2535 -189.927 -118.643 -150.958 -34.6256 110.929 -82.9196 153.916 -42.0627 PRESSAVG: 1552200 -26.2032 7.32869 7.15402 7.32867 32.3767 -12.8123 7.15405 -12.8123 1.71534 GPRESSAVG: 1552200 -25.3026 6.67108 6.95827 7.23122 31.2943 -12.7818 6.57836 -10.6681 1.058 TIMING: 1552200 CPU: 4890.58, 0.0031813/step Wall: 4890.58, 0.0031813/step, 3.0468 hours remaining, 238.746094 MB of memory in use. ENERGY: 1552200 3956.7599 20558.4942 14533.1565 238.7524 -203559.0801 2744.7207 0.0000 0.0000 52120.3845 -109406.8119 299.5366 -161527.1964 -109038.7981 299.7282 -79.0490 -52.3139 759897.7388 2.6296 2.3499 LDB: ============= START OF LOAD BALANCING ============== 4902.98 LDB: ============== END OF LOAD BALANCING =============== 4902.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4902.98 LDB: ============= START OF LOAD BALANCING ============== 4903.29 LDB: Largest compute 7062 load 0.032750 is 16.7% of average load 0.195985 LDB: Average compute 0.004372 is 2.2% of average load 0.195985 LDB: TIME 4903.3 LOAD: AVG 0.195985 MAX 0.221135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.168 MB LDB: TIME 4903.3 LOAD: AVG 0.195985 MAX 0.221135 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.168 MB LDB: TIME 4903.3 LOAD: AVG 0.195985 MAX 0.214616 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.168 MB LDB: ============== END OF LOAD BALANCING =============== 4903.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4903.31 PRESSURE: 1552400 -68.0584 -96.5655 38.546 -96.5658 31.0629 15.9291 38.5459 15.9285 -292.832 GPRESSURE: 1552400 -28.8896 -132.768 88.8479 -84.7688 56.1984 91.9936 73.1978 72.214 -275.784 PRESSAVG: 1552400 -24.6298 8.24031 -41.0064 8.24027 43.6825 4.00191 -41.0064 4.00196 2.8405 GPRESSAVG: 1552400 -25.4122 9.60395 -39.5013 8.20703 44.6598 3.89281 -40.2262 4.24899 3.11171 TIMING: 1552400 CPU: 4891.22, 0.00320905/step Wall: 4891.22, 0.00320906/step, 3.07321 hours remaining, 238.863281 MB of memory in use. ENERGY: 1552400 3989.0353 20705.7966 14455.5883 268.7027 -203891.8924 2817.4273 0.0000 0.0000 52037.6583 -109617.6838 299.0611 -161655.3422 -109263.2004 299.1492 -109.9426 -82.8250 760792.1757 7.2977 7.4531 PRESSURE: 1552600 223.168 48.924 -11.63 48.9226 -69.6034 -18.7499 -11.6296 -18.7496 -17.5572 GPRESSURE: 1552600 234.646 82.2483 22.4967 25.0756 -12.5966 63.3065 -38.7105 24.6939 7.3199 PRESSAVG: 1552600 -28.2682 25.2176 -5.25803 25.2176 46.5694 54.2572 -5.2581 54.2571 13.7781 GPRESSAVG: 1552600 -27.6722 25.1322 -5.1583 25.5225 46.0031 54.2248 -6.42217 51.6351 13.3388 TIMING: 1552600 CPU: 4891.86, 0.00316811/step Wall: 4891.86, 0.0031681/step, 3.03381 hours remaining, 239.066406 MB of memory in use. ENERGY: 1552600 4076.1367 20418.2569 14407.2096 237.5978 -203263.3357 2491.4754 0.0000 0.0000 52023.6611 -109608.9982 298.9807 -161632.6593 -109249.9673 298.6370 45.3357 76.4565 762107.0407 10.6931 10.5566 PRESSURE: 1552800 7.53451 60.3612 247.132 60.3611 -212.695 -87.7894 247.132 -87.7896 0.147837 GPRESSURE: 1552800 44.3296 -17.3782 261.063 -38.5814 -163.749 -116.956 195.631 -57.028 6.68177 PRESSAVG: 1552800 -35.0671 44.5536 9.83132 44.5536 9.1185 -41.5321 9.83126 -41.5321 -3.15459 GPRESSAVG: 1552800 -35.3783 43.5441 9.00281 44.4479 9.64421 -41.8947 10.2467 -41.3116 -2.62536 TIMING: 1552800 CPU: 4892.49, 0.00317027/step Wall: 4892.49, 0.00317027/step, 3.03571 hours remaining, 239.066406 MB of memory in use. ENERGY: 1552800 3956.0345 20542.2846 14474.7919 238.9472 -203196.7440 2540.0510 0.0000 0.0000 51944.2563 -109500.3785 298.5244 -161444.6348 -109132.3266 298.9213 -68.3375 -37.5793 762216.9663 -9.7011 -9.4531 PRESSURE: 1553000 29.1967 -37.9936 -68.9796 -37.9939 -47.0653 125.353 -68.9799 125.353 -430.671 GPRESSURE: 1553000 62.1776 -56.0171 -28.8664 -194.338 -35.0201 147.432 77.0018 87.4633 -395.895 PRESSAVG: 1553000 -1.29239 -35.7457 10.8779 -35.7458 -16.2931 4.70464 10.8779 4.70473 4.83816 GPRESSAVG: 1553000 -2.3598 -34.5144 10.3782 -36.1124 -15.7516 5.50907 10.0827 3.89144 5.61572 TIMING: 1553000 CPU: 4893.12, 0.0031614/step Wall: 4893.12, 0.0031614/step, 3.02704 hours remaining, 239.066406 MB of memory in use. ENERGY: 1553000 4018.2958 20536.4891 14462.2852 240.3413 -203264.0866 2479.2721 0.0000 0.0000 52066.8417 -109460.5614 299.2289 -161527.4031 -109090.0941 299.1472 -149.5133 -122.9125 762855.7102 -4.2491 -4.1652 PRESSURE: 1553200 73.1506 25.0856 -15.3724 25.0842 -166.333 -39.0968 -15.3725 -39.0965 241.066 GPRESSURE: 1553200 23.5376 14.8626 55.4792 -28.2714 -60.7242 -49.5377 -17.1132 -66.3764 268.558 PRESSAVG: 1553200 -31.7419 -15.1307 -23.3213 -15.1308 40.1842 2.67978 -23.3213 2.67984 13.3434 GPRESSAVG: 1553200 -30.49 -15.67 -23.7542 -13.8618 38.7227 1.12177 -20.7929 3.50665 12.8062 TIMING: 1553200 CPU: 4893.75, 0.00316028/step Wall: 4893.75, 0.00316028/step, 3.02579 hours remaining, 239.066406 MB of memory in use. ENERGY: 1553200 3951.1006 20504.8878 14517.3310 241.4639 -203419.4463 2631.6740 0.0000 0.0000 52193.3239 -109379.6651 299.9557 -161572.9889 -109013.0118 299.3976 49.2944 77.1240 760428.3313 7.2619 7.0129 PRESSURE: 1553400 58.74 15.5097 88.297 15.5101 94.563 -28.4718 88.2982 -28.4716 -285.896 GPRESSURE: 1553400 92.044 76.8843 61.5736 -35.3789 -8.98677 -94.478 50.7006 38.1123 -149.596 PRESSAVG: 1553400 12.9956 2.82422 -3.93292 2.8242 -26.8616 11.0912 -3.933 11.0911 7.63453 GPRESSAVG: 1553400 11.7968 2.39917 -1.85973 0.756607 -26.6045 11.3558 -4.05136 12.4124 8.25336 TIMING: 1553400 CPU: 4894.39, 0.00315927/step Wall: 4894.39, 0.00315927/step, 3.02465 hours remaining, 239.066406 MB of memory in use. ENERGY: 1553400 4021.9442 20581.8401 14455.0427 240.0533 -203176.5936 2724.2132 0.0000 0.0000 52116.4013 -109037.0988 299.5137 -161153.5001 -108681.5168 299.9732 -44.1978 -22.1795 762175.9005 -2.0772 -2.1848 PRESSURE: 1553600 -101.6 -83.4835 57.9634 -83.4836 -142.229 -27.7256 57.9642 -27.7257 -190.456 GPRESSURE: 1553600 -121.244 -28.1537 79.1859 50.7277 -80.2161 -10.8562 55.6606 -54.4473 -157.671 PRESSAVG: 1553600 16.1471 5.78391 17.5323 5.7839 -17.2524 -1.97585 17.5323 -1.97586 15.1413 GPRESSAVG: 1553600 14.8497 7.69708 16.8017 8.39437 -16.4763 -0.942507 17.1302 -1.19139 15.5696 TIMING: 1553600 CPU: 4895.03, 0.00320091/step Wall: 4895.03, 0.00320091/step, 3.06434 hours remaining, 239.066406 MB of memory in use. ENERGY: 1553600 4006.9094 20496.0373 14480.3707 241.4041 -203666.7615 2874.6341 0.0000 0.0000 52455.5158 -109111.8901 301.4626 -161567.4059 -108747.5723 299.8962 -144.7615 -119.7105 761915.8756 4.6787 4.6477 PRESSURE: 1553800 -329.994 -123.055 -118.259 -123.055 164.304 19.6253 -118.258 19.626 -72.1141 GPRESSURE: 1553800 -214.599 -125.64 -110.229 -21.1573 170.362 -3.7264 -150.124 -64.7833 -83.5493 PRESSAVG: 1553800 -36.1799 -20.7535 -14.8688 -20.7535 53.6432 2.35434 -14.8688 2.35439 -3.04514 GPRESSAVG: 1553800 -35.1333 -20.7713 -16.6486 -21.3154 53.9174 2.7916 -16.4374 -0.0298297 -3.91671 TIMING: 1553800 CPU: 4895.65, 0.00313133/step Wall: 4895.65, 0.00313133/step, 2.99755 hours remaining, 239.066406 MB of memory in use. ENERGY: 1553800 4032.5075 20492.9242 14584.4598 252.3463 -203320.2720 2631.1383 0.0000 0.0000 52215.9533 -109110.9426 300.0858 -161326.8959 -108764.3064 300.3130 -79.2680 -42.5951 760243.6785 4.8060 4.9558 PRESSURE: 1554000 -52.4702 40.6835 -199.364 40.6844 -208.666 392.825 -199.364 392.825 68.4667 GPRESSURE: 1554000 -45.2837 -63.4783 -79.4384 31.7567 -147.763 386.525 -18.9691 274.988 89.7677 PRESSAVG: 1554000 -70.5001 -89.4345 7.21955 -89.4345 38.3392 28.6979 7.21953 28.6979 2.32478 GPRESSAVG: 1554000 -69.2624 -90.3273 9.7316 -92.1403 36.756 28.7929 8.16566 29.7373 2.68854 TIMING: 1554000 CPU: 4896.28, 0.00314424/step Wall: 4896.28, 0.00314424/step, 3.00974 hours remaining, 239.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1554000 3965.0392 20615.3622 14531.9612 240.9562 -203306.1104 2653.5809 0.0000 0.0000 52214.4459 -109084.7647 300.0771 -161299.2106 -108729.9097 300.0502 -64.2231 -34.4263 762438.8180 -9.9454 -9.9393 PRESSURE: 1554200 -299.827 39.9991 -62.9858 39.9989 -143.005 43.9416 -62.9864 43.9411 183.033 GPRESSURE: 1554200 -220.23 9.50331 6.26634 73.1227 -107.344 63.7018 -95.3033 -20.1685 176.038 PRESSAVG: 1554200 -58.1629 16.861 -42.8585 16.861 36.0796 -25.2883 -42.8586 -25.2883 22.7444 GPRESSAVG: 1554200 -59.8638 18.3881 -44.7538 17.2111 37.5452 -24.6216 -44.233 -25.7866 22.9637 TIMING: 1554200 CPU: 4896.91, 0.00313659/step Wall: 4896.91, 0.00313659/step, 3.00224 hours remaining, 239.066406 MB of memory in use. ENERGY: 1554200 4035.2668 20645.9554 14602.5365 253.7835 -203611.3199 2684.9739 0.0000 0.0000 52465.6508 -108923.1530 301.5208 -161388.8038 -108557.3733 300.3966 -86.5996 -50.5121 761401.4265 0.2203 0.2150 PRESSURE: 1554400 -45.2917 67.2807 162.978 67.2813 254.879 -72.8421 162.978 -72.8421 -85.3154 GPRESSURE: 1554400 73.5511 55.6666 181.052 103.632 180.463 -110.008 79.2232 -19.4417 -54.6677 PRESSAVG: 1554400 -58.6374 3.65063 25.2484 3.65059 36.5618 -4.85588 25.2485 -4.85595 5.47308 GPRESSAVG: 1554400 -57.8484 1.98573 26.3906 3.94911 37.0765 -5.85072 25.4251 -5.48848 4.59042 TIMING: 1554400 CPU: 4897.54, 0.0031381/step Wall: 4897.54, 0.0031381/step, 3.00351 hours remaining, 239.066406 MB of memory in use. ENERGY: 1554400 3920.9847 20571.0451 14520.4156 250.4374 -203190.0718 2594.7031 0.0000 0.0000 52291.6994 -109040.7865 300.5211 -161332.4859 -108674.7848 300.6212 41.4241 66.4487 762012.1050 -5.5341 -5.3938 PRESSURE: 1554600 326.678 -17.296 -102.63 -17.2956 -352.85 -149.452 -102.63 -149.452 97.7205 GPRESSURE: 1554600 428.044 74.6981 -97.1723 -24.5685 -333.242 -158.588 -182.325 -108.998 50.1317 PRESSAVG: 1554600 28.9617 54.693 36.7517 54.6929 -34.9271 32.0105 36.7516 32.0105 6.89872 GPRESSAVG: 1554600 29.096 54.4053 35.0053 55.1205 -35.3208 31.1735 37.7197 32.4684 7.36606 TIMING: 1554600 CPU: 4898.17, 0.00314554/step Wall: 4898.17, 0.00314554/step, 3.01046 hours remaining, 239.066406 MB of memory in use. ENERGY: 1554600 4033.3091 20545.4135 14449.6982 235.2854 -203539.1312 2677.6071 0.0000 0.0000 52533.5527 -109064.2652 301.9110 -161597.8179 -108691.5708 300.1174 23.8493 48.3110 761517.8510 0.3111 0.3804 PRESSURE: 1554800 584.241 -160.294 -77.4148 -160.293 163.108 240.596 -77.4145 240.597 331.71 GPRESSURE: 1554800 568.119 -140.612 -129.545 6.65376 234.449 211.585 -76.5201 141.678 358.889 PRESSAVG: 1554800 16.7161 -11.7451 27.8574 -11.7451 0.505767 21.6003 27.8575 21.6004 2.17678 GPRESSAVG: 1554800 17.4806 -11.0832 28.0338 -10.5627 1.09576 22.4766 28.7844 22.4229 0.812933 TIMING: 1554800 CPU: 4898.8, 0.00315178/step Wall: 4898.8, 0.00315178/step, 3.01625 hours remaining, 239.066406 MB of memory in use. ENERGY: 1554800 4004.6391 20644.8849 14468.2356 253.8148 -203595.0016 2854.7096 0.0000 0.0000 52597.4147 -108771.3029 302.2781 -161368.7176 -108404.1622 300.7344 359.6866 387.1525 761360.6888 6.4662 6.4631 PRESSURE: 1555000 -134.615 -155.461 -75.4266 -155.461 18.0368 -73.4782 -75.4262 -73.4774 17.9111 GPRESSURE: 1555000 -12.1126 -142.539 -154.268 -200.119 -10.3286 -37.0182 -77.075 -6.93964 13.0213 PRESSAVG: 1555000 -22.9798 30.0622 17.0797 30.0622 18.9774 23.4345 17.0797 23.4345 -9.99256 GPRESSAVG: 1555000 -24.1051 28.667 18.424 29.7277 18.6992 23.3678 16.3101 22.8724 -8.90498 TIMING: 1555000 CPU: 4899.43, 0.0031531/step Wall: 4899.43, 0.0031531/step, 3.01735 hours remaining, 239.066406 MB of memory in use. ENERGY: 1555000 3954.2396 20728.3004 14477.6851 250.9599 -202944.3047 2344.4532 0.0000 0.0000 52273.5111 -108915.1552 300.4166 -161188.6664 -108543.6100 300.8849 -32.8891 -3.1400 763602.1808 -4.6650 -4.7703 PRESSURE: 1555200 -121.761 70.9945 -77.7819 70.9947 -209.909 17.7085 -77.7821 17.7073 -57.7428 GPRESSURE: 1555200 -96.5749 100.569 -76.3506 58.1913 -179.319 -88.2188 -43.6902 78.6333 -39.9761 PRESSAVG: 1555200 2.41834 39.8625 -47.048 39.8625 20.4392 49.654 -47.048 49.6539 2.52216 GPRESSAVG: 1555200 3.98004 41.3157 -47.1901 39.7493 19.0681 49.2481 -45.9457 49.0107 2.0828 TIMING: 1555200 CPU: 4900.05, 0.00313263/step Wall: 4900.05, 0.00313263/step, 2.99758 hours remaining, 239.066406 MB of memory in use. ENERGY: 1555200 4025.0552 20710.8393 14496.9726 228.5652 -203198.2326 2652.9077 0.0000 0.0000 52280.4949 -108803.3977 300.4567 -161083.8927 -108445.1712 301.0174 -129.8044 -105.2900 761482.3937 8.4599 8.3770 PRESSURE: 1555400 91.1936 209.283 156.324 209.283 -368.779 -153.884 156.325 -153.885 -295.796 GPRESSURE: 1555400 -2.44957 222.1 114.897 316.698 -262.803 -178.801 143.389 -114.508 -233.15 PRESSAVG: 1555400 -22.1844 12.8155 -37.9118 12.8155 -10.664 31.7563 -37.9118 31.7564 -20.5175 GPRESSAVG: 1555400 -24.5512 11.8202 -38.1199 13.869 -10.968 31.119 -37.1739 32.6723 -18.024 TIMING: 1555400 CPU: 4900.69, 0.00317115/step Wall: 4900.69, 0.00317115/step, 3.03426 hours remaining, 239.066406 MB of memory in use. ENERGY: 1555400 3918.6668 20801.6408 14590.2371 252.1438 -203274.1316 2583.4627 0.0000 0.0000 52407.7661 -108720.2144 301.1882 -161127.9805 -108344.8590 301.1667 -191.1269 -166.1342 762303.1017 -17.7886 -17.8477 PRESSURE: 1555600 -416.512 76.1358 48.1174 76.1362 -361.467 114.029 48.1173 114.03 -527.932 GPRESSURE: 1555600 -490.741 76.5481 45.8592 77.3887 -272.534 137.14 -82.9719 99.8057 -463.233 PRESSAVG: 1555600 27.8033 29.3683 34.7926 29.3684 -14.5267 24.338 34.7927 24.3379 6.84942 GPRESSAVG: 1555600 27.5817 28.4434 33.9217 31.1047 -13.8354 22.7834 32.8159 26.8573 6.24599 TIMING: 1555600 CPU: 4901.32, 0.00317104/step Wall: 4901.32, 0.00317104/step, 3.03398 hours remaining, 239.066406 MB of memory in use. ENERGY: 1555600 4049.9559 20739.8503 14445.1054 235.6734 -202763.1811 2252.7713 0.0000 0.0000 52194.1655 -108845.6593 299.9606 -161039.8248 -108478.2911 301.1014 -435.3039 -408.8362 762163.7405 6.7087 6.6641 PRESSURE: 1555800 -319.664 56.1309 -113.194 56.1308 -187.569 476.374 -113.195 476.375 -99.7475 GPRESSURE: 1555800 -307.881 116.255 -41.1133 21.8136 -106.837 395.973 -39.3468 334.655 -103.775 PRESSAVG: 1555800 65.3618 52.6377 -44.621 52.6377 -29.0238 64.4443 -44.621 64.4442 -1.3534 GPRESSAVG: 1555800 66.8075 53.314 -44.1137 50.1654 -29.1404 66.0968 -44.3031 58.8235 -2.18825 TIMING: 1555800 CPU: 4901.96, 0.00318829/step Wall: 4901.96, 0.00318829/step, 3.05031 hours remaining, 239.066406 MB of memory in use. ENERGY: 1555800 4021.8345 20677.1937 14453.4288 237.5965 -203196.3180 2610.1690 0.0000 0.0000 52224.1444 -108971.9509 300.1329 -161196.0953 -108612.0789 300.2187 -202.3270 -172.8311 762760.9321 11.6615 11.8263 PRESSURE: 1556000 63.5148 60.3667 43.027 60.3663 -78.7439 -212.449 43.0268 -212.449 166.634 GPRESSURE: 1556000 72.158 -9.84284 98.6022 32.097 -56.9685 -203.9 51.1969 -259.043 223.955 PRESSAVG: 1556000 32.149 27.347 -50.9201 27.347 -38.9845 22.0752 -50.9201 22.0752 19.4341 GPRESSAVG: 1556000 30.9715 26.8568 -51.0134 28.4719 -38.3747 21.8067 -50.9558 24.8555 20.0067 TIMING: 1556000 CPU: 4902.59, 0.00315811/step Wall: 4902.59, 0.00315812/step, 3.02126 hours remaining, 239.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1556000 3982.8195 20685.5634 14459.6650 235.8820 -203704.7056 2925.0809 0.0000 0.0000 52152.2926 -109263.4023 299.7199 -161415.6949 -108889.1170 300.3188 50.4684 79.7148 761317.6546 4.1995 4.2012 PRESSURE: 1556200 -431.913 156.101 93.4066 156.101 263.889 -4.29745 93.4064 -4.29762 -143.163 GPRESSURE: 1556200 -303.897 99.5883 110.16 179.078 234.99 89.0771 93.8484 62.884 -160.11 PRESSAVG: 1556200 -12.3101 2.80135 -26.7903 2.80131 37.4717 6.23539 -26.7903 6.23537 13.2911 GPRESSAVG: 1556200 -11.7176 4.96097 -24.9655 1.84973 37.5866 8.34536 -26.965 6.98481 12.4992 TIMING: 1556200 CPU: 4903.22, 0.00316024/step Wall: 4903.22, 0.00316024/step, 3.02312 hours remaining, 239.066406 MB of memory in use. ENERGY: 1556200 3949.7588 20570.9930 14463.2115 255.0916 -203160.1672 2385.2089 0.0000 0.0000 52369.5112 -109166.3921 300.9683 -161535.9033 -108794.7994 299.9955 -103.7293 -76.3393 762094.4943 12.8176 12.7894 LDB: ============= START OF LOAD BALANCING ============== 4915.62 LDB: ============== END OF LOAD BALANCING =============== 4915.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4915.62 LDB: ============= START OF LOAD BALANCING ============== 4915.94 LDB: Largest compute 7062 load 0.033508 is 17.1% of average load 0.196064 LDB: Average compute 0.004370 is 2.2% of average load 0.196064 LDB: TIME 4915.94 LOAD: AVG 0.196064 MAX 0.21521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 4915.94 LOAD: AVG 0.196064 MAX 0.21521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.934 MB LDB: TIME 4915.94 LOAD: AVG 0.196064 MAX 0.21521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.934 MB LDB: ============== END OF LOAD BALANCING =============== 4915.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4915.95 PRESSURE: 1556400 -521.523 168.491 -8.14225 168.491 -77.3422 -36.3212 -8.14206 -36.3215 -196.665 GPRESSURE: 1556400 -377.588 178.832 -36.0079 194.689 -106.747 -70.6555 47.6166 -125.67 -224.024 PRESSAVG: 1556400 -21.1491 15.356 -33.0924 15.356 48.774 15.404 -33.0925 15.404 -12.4781 GPRESSAVG: 1556400 -20.577 14.8315 -33.3237 15.6318 48.3449 13.0389 -33.5913 14.1342 -11.8694 TIMING: 1556400 CPU: 4903.86, 0.00320842/step Wall: 4903.86, 0.00320842/step, 3.06903 hours remaining, 237.839844 MB of memory in use. ENERGY: 1556400 4015.1691 20474.5480 14504.7012 245.6089 -203162.0126 2434.7286 0.0000 0.0000 52377.9040 -109109.3527 301.0165 -161487.2568 -108743.2835 300.0825 -265.1770 -236.1199 762249.8490 5.0489 5.2995 PRESSURE: 1556600 236.845 -31.6608 25.004 -31.6612 147.748 -23.1194 25.005 -23.1201 103.585 GPRESSURE: 1556600 258.21 35.6859 4.28082 4.19148 180.435 44.8773 -13.8474 -20.3739 103.69 PRESSAVG: 1556600 -42.9455 -4.16115 -14.3992 -4.16113 78.2349 32.8103 -14.3993 32.8103 -35.9532 GPRESSAVG: 1556600 -43.2425 -2.44542 -16.3 -5.96505 78.9584 33.8375 -11.7495 33.1485 -36.679 TIMING: 1556600 CPU: 4904.5, 0.00318368/step Wall: 4904.5, 0.00318368/step, 3.04519 hours remaining, 237.839844 MB of memory in use. ENERGY: 1556600 3922.4432 20534.4281 14537.4966 246.3150 -203376.6501 2939.7835 0.0000 0.0000 52057.9416 -109138.2419 299.1777 -161196.1836 -108782.4125 300.0049 162.7260 180.7782 760908.2755 -0.2213 -0.3210 PRESSURE: 1556800 -310.579 -25.5671 -132.045 -25.5672 -207.82 9.57509 -132.045 9.57556 116.861 GPRESSURE: 1556800 -239.157 31.0532 -201.954 4.36239 -166.316 58.7184 -79.2413 -49.2801 104.684 PRESSAVG: 1556800 -28.3391 -1.50745 -20.5139 -1.50747 26.9064 -34.6347 -20.5139 -34.6348 -5.54557 GPRESSAVG: 1556800 -28.3833 -3.51494 -19.4384 0.71995 26.6532 -34.013 -23.4052 -36.7618 -4.69588 TIMING: 1556800 CPU: 4905.13, 0.00314611/step Wall: 4905.13, 0.00314611/step, 3.00908 hours remaining, 237.839844 MB of memory in use. ENERGY: 1556800 3998.2976 20547.0135 14440.1496 248.6168 -203091.1612 2505.3071 0.0000 0.0000 52268.2443 -109083.5323 300.3863 -161351.7765 -108719.1501 299.6158 -133.8460 -100.2629 762768.5557 -2.3261 -2.1420 PRESSURE: 1557000 96.5114 -27.3442 110.014 -27.3447 -64.5453 -129.738 110.014 -129.738 255.004 GPRESSURE: 1557000 294.96 9.93152 109.773 -86.4878 -86.9323 -106.519 -23.4219 -166.243 157.245 PRESSAVG: 1557000 -10.5678 0.78035 -8.3445 0.780266 8.22539 61.8204 -8.34452 61.8204 -8.65438 GPRESSAVG: 1557000 -8.59296 1.42873 -8.63345 -1.31757 7.25663 61.7275 -9.85404 63.9972 -9.3771 TIMING: 1557000 CPU: 4905.76, 0.00315972/step Wall: 4905.76, 0.00315972/step, 3.02192 hours remaining, 237.839844 MB of memory in use. ENERGY: 1557000 4019.2817 20650.2468 14480.5284 246.6805 -203168.6722 2357.4455 0.0000 0.0000 52096.9810 -109317.5082 299.4021 -161414.4893 -108952.4395 299.9701 95.6567 121.7574 760447.3219 -3.6656 -3.5711 PRESSURE: 1557200 5.05561 218.899 -17.3047 218.899 -277.557 82.5105 -17.3045 82.5106 248.769 GPRESSURE: 1557200 65.571 193.626 -28.6286 184.801 -256.736 102.657 -54.6075 84.9138 241.226 PRESSAVG: 1557200 85.5665 -26.6867 8.93243 -26.6866 -13.7332 113.125 8.93245 113.125 4.26704 GPRESSAVG: 1557200 84.5247 -26.6644 9.01281 -25.599 -13.4295 113.94 10.2392 112.577 4.74763 TIMING: 1557200 CPU: 4906.4, 0.00317939/step Wall: 4906.4, 0.00317939/step, 3.04056 hours remaining, 237.839844 MB of memory in use. ENERGY: 1557200 3981.0665 20656.4130 14440.7710 246.4582 -202870.3460 2241.0234 0.0000 0.0000 51999.6716 -109304.9423 298.8428 -161304.6138 -108940.2409 299.7074 -7.9107 16.6871 761877.6724 25.3668 25.2810 PRESSURE: 1557400 11.4509 54.8531 -102.016 54.8536 -191.62 -17.4734 -102.016 -17.4733 -41.3637 GPRESSURE: 1557400 -11.0505 52.5386 -138.905 -8.91286 -128.618 -19.8429 -2.07259 -46.6854 -18.311 PRESSAVG: 1557400 30.7356 61.6995 -7.78365 61.6994 -6.288 42.8636 -7.78369 42.8636 13.6492 GPRESSAVG: 1557400 30.7824 63.5295 -7.94903 60.9031 -6.45741 43.0942 -7.22875 42.8944 13.3081 TIMING: 1557400 CPU: 4907.03, 0.00313669/step Wall: 4907.03, 0.00313669/step, 2.99955 hours remaining, 237.839844 MB of memory in use. ENERGY: 1557400 4021.1443 20619.5958 14495.8859 243.8962 -203446.6609 2705.8047 0.0000 0.0000 51962.9075 -109397.4264 298.6315 -161360.3340 -109041.6795 299.6787 -73.8444 -52.6598 760805.8554 12.6989 12.5443 PRESSURE: 1557600 -280.524 -93.919 28.4071 -93.9193 -44.7359 -94.6956 28.4073 -94.6944 -87.8953 GPRESSURE: 1557600 -110.538 26.97 86.5967 -77.6742 9.1654 -46.6546 21.9276 -171.918 -223.04 PRESSAVG: 1557600 -18.3476 3.38593 -21.818 3.3859 3.8045 32.7685 -21.818 32.7685 -8.60585 GPRESSAVG: 1557600 -18.4152 1.54749 -22.8754 6.18883 4.27296 31.7066 -20.9775 31.791 -9.01087 TIMING: 1557600 CPU: 4907.65, 0.00313566/step Wall: 4907.65, 0.00313566/step, 2.99838 hours remaining, 237.839844 MB of memory in use. ENERGY: 1557600 4023.7690 20551.4102 14485.9363 251.1464 -202818.0594 2198.3633 0.0000 0.0000 51971.2686 -109336.1656 298.6796 -161307.4343 -108972.3217 299.2111 -137.7184 -108.1377 761663.4336 -7.7163 -7.7177 PRESSURE: 1557800 -467.211 49.7162 146.839 49.7159 -265.587 3.96468 146.839 3.9665 -468.498 GPRESSURE: 1557800 -468.992 52.9464 195.641 93.118 -194.075 50.5651 82.2706 37.5937 -447.322 PRESSAVG: 1557800 -48.8349 20.3634 12.1186 20.3634 50.9478 28.4483 12.1186 28.4484 21.3236 GPRESSAVG: 1557800 -48.7851 18.3607 11.9912 21.6028 50.3064 29.4101 12.1366 27.3818 21.6683 TIMING: 1557800 CPU: 4908.28, 0.0031488/step Wall: 4908.28, 0.0031488/step, 3.01078 hours remaining, 237.839844 MB of memory in use. ENERGY: 1557800 4074.4608 20594.6123 14450.1741 246.9929 -203170.0676 2614.1913 0.0000 0.0000 51821.9667 -109367.6697 297.8216 -161189.6363 -109011.8275 299.6005 -400.4318 -370.1298 762568.5830 7.8122 7.7298 PRESSURE: 1558000 -178.71 -110.803 9.95633 -110.803 158.406 -99.5813 9.95643 -99.581 205.116 GPRESSURE: 1558000 -111.218 -84.4868 23.889 -83.1584 84.1268 -134.989 11.2436 -108.295 294.384 PRESSAVG: 1558000 -69.4215 -40.9466 15.0605 -40.9466 79.9914 -5.16768 15.0606 -5.16765 6.6202 GPRESSAVG: 1558000 -70.8336 -37.8476 15.4562 -44.3823 80.7712 -4.55419 15.0587 -4.50096 7.72806 TIMING: 1558000 CPU: 4908.91, 0.00312645/step Wall: 4908.91, 0.00312645/step, 2.98924 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1558000 3959.6855 20460.3337 14605.4124 249.8591 -203193.9868 2567.6480 0.0000 0.0000 52051.4902 -109299.5579 299.1406 -161351.0481 -108936.1789 299.1346 61.6037 89.0977 761398.4250 5.7301 5.8885 PRESSURE: 1558200 -173.125 -86.1387 147.466 -86.1378 148.297 264.262 147.466 264.261 -165.039 GPRESSURE: 1558200 -142.343 -163.648 141.074 -195.63 173.486 298.648 104.829 186.314 -123.382 PRESSAVG: 1558200 -80.61 -31.4455 7.21254 -31.4455 63.0693 21.0291 7.2125 21.0291 -5.23214 GPRESSAVG: 1558200 -79.2666 -34.3635 5.49638 -29.6653 62.2567 19.395 5.67798 20.6505 -5.7002 TIMING: 1558200 CPU: 4909.54, 0.00313559/step Wall: 4909.54, 0.00313559/step, 2.9978 hours remaining, 237.839844 MB of memory in use. ENERGY: 1558200 3959.0878 20624.5713 14498.0331 257.3531 -203073.6027 2436.6669 0.0000 0.0000 51920.3145 -109377.5761 298.3868 -161297.8906 -109024.2330 298.9996 -63.2889 -30.7461 761470.1763 -7.5910 -7.5700 PRESSURE: 1558400 -78.4158 199.253 -23.705 199.255 -293.025 -7.37719 -23.7049 -7.37738 -201.619 GPRESSURE: 1558400 -82.0342 312.642 40.9567 108.365 -294.654 -52.5995 55.933 29.7801 -131.104 PRESSAVG: 1558400 -9.50759 19.9722 29.2251 19.9722 75.5535 23.6135 29.2251 23.6135 5.43484 GPRESSAVG: 1558400 -9.52781 20.1016 29.1112 19.9253 74.9717 25.3914 31.0639 22.5456 5.6247 TIMING: 1558400 CPU: 4910.16, 0.00314421/step Wall: 4910.16, 0.00314422/step, 3.00587 hours remaining, 237.839844 MB of memory in use. ENERGY: 1558400 3942.9320 20543.9441 14495.1290 240.7488 -203108.1508 2491.1528 0.0000 0.0000 51899.6416 -109494.6023 298.2680 -161394.2440 -109138.0290 299.0164 -191.0200 -169.2642 762274.5645 23.8269 23.6895 PRESSURE: 1558600 -1.95592 -130.581 109.213 -130.581 -56.5913 -127.521 109.213 -127.521 -150.098 GPRESSURE: 1558600 73.2229 -20.4038 53.4691 -117.79 -69.6118 -176.168 83.0157 68.6295 -123.227 PRESSAVG: 1558600 51.3365 -22.0635 -19.1879 -22.0635 11.416 2.848 -19.1878 2.84805 1.82715 GPRESSAVG: 1558600 51.4503 -20.5092 -16.7992 -23.4041 11.3914 0.0365917 -21.9456 5.63566 1.25926 TIMING: 1558600 CPU: 4910.8, 0.00316191/step Wall: 4910.8, 0.00316191/step, 3.02261 hours remaining, 237.839844 MB of memory in use. ENERGY: 1558600 4034.7595 20367.2510 14478.0685 237.2602 -203396.5041 2882.8489 0.0000 0.0000 51804.2212 -109592.0948 297.7196 -161396.3160 -109238.3450 298.8121 -69.5485 -39.8719 762673.4560 21.5266 21.3670 PRESSURE: 1558800 150.426 -147.593 122.715 -147.593 67.3744 129.097 122.715 129.097 -193.108 GPRESSURE: 1558800 102.019 -44.6619 142.267 -38.2142 149.853 117.434 215.117 -31.201 -136.385 PRESSAVG: 1558800 5.51292 1.76524 -16.4645 1.76528 -24.2267 6.71604 -16.4644 6.71609 -23.2922 GPRESSAVG: 1558800 5.01113 1.3929 -18.7564 2.86204 -24.8812 9.06773 -13.6486 6.06046 -21.9398 TIMING: 1558800 CPU: 4911.44, 0.00319284/step Wall: 4911.44, 0.00319284/step, 3.052 hours remaining, 237.839844 MB of memory in use. ENERGY: 1558800 3952.0973 20534.9501 14535.7948 251.7857 -203264.2035 2484.3860 0.0000 0.0000 52114.5330 -109390.6567 299.5029 -161505.1897 -109037.6414 298.8933 8.2308 38.4955 760702.4635 -14.0020 -13.9366 PRESSURE: 1559000 -73.5889 133.058 -143.379 133.058 -21.535 157.428 -143.379 157.428 365.162 GPRESSURE: 1559000 -0.812093 129.58 -148.866 -40.6241 26.3148 96.5384 -148.042 106.607 346.872 PRESSAVG: 1559000 -18.8723 24.6678 20.2561 24.6678 23.0859 41.6303 20.2561 41.6303 -1.8029 GPRESSAVG: 1559000 -18.902 24.8456 20.4075 23.9169 24.6222 40.6804 19.6934 40.1363 -2.81959 TIMING: 1559000 CPU: 4912.07, 0.00316267/step Wall: 4912.07, 0.00316268/step, 3.02299 hours remaining, 237.839844 MB of memory in use. ENERGY: 1559000 3962.0495 20474.5143 14523.5926 241.0948 -203454.6411 2551.5031 0.0000 0.0000 52395.0462 -109306.8405 301.1151 -161701.8867 -108939.2676 299.6660 90.0127 124.1250 761050.5670 0.8036 0.9669 PRESSURE: 1559200 -65.9147 121.31 18.126 121.309 24.6448 5.20104 18.1263 5.20135 54.8786 GPRESSURE: 1559200 40.2512 163.425 -2.35563 98.636 -65.6845 66.3413 71.0091 -30.2216 136.743 PRESSAVG: 1559200 37.719 -50.5656 0.818977 -50.5656 8.09126 64.5388 0.819014 64.5388 -8.34113 GPRESSAVG: 1559200 37.2765 -51.7211 0.929371 -50.8232 6.85252 64.011 0.731324 65.7555 -6.64103 TIMING: 1559200 CPU: 4912.7, 0.00317412/step Wall: 4912.7, 0.00317412/step, 3.03376 hours remaining, 237.839844 MB of memory in use. ENERGY: 1559200 4023.9228 20512.0479 14386.8504 245.6618 -202839.2904 2300.4509 0.0000 0.0000 52074.0366 -109296.3201 299.2702 -161370.3567 -108916.5243 299.0397 4.5362 37.1034 760066.2310 12.4897 12.4960 PRESSURE: 1559400 2.09281 -150.673 9.10614 -150.672 -220.262 -17.5759 9.10602 -17.5762 198.572 GPRESSURE: 1559400 46.0334 -30.8198 52.7107 -116.497 -146.518 -84.6086 -16.0247 -42.619 195.018 PRESSAVG: 1559400 66.1261 -11.5296 13.9732 -11.5296 -38.5292 -0.796034 13.9733 -0.796048 -6.00863 GPRESSAVG: 1559400 65.5153 -9.97765 15.4224 -9.84035 -37.1415 -1.36409 13.4775 -1.54944 -7.67872 TIMING: 1559400 CPU: 4913.34, 0.00316328/step Wall: 4913.34, 0.00316328/step, 3.02322 hours remaining, 237.839844 MB of memory in use. ENERGY: 1559400 4004.1568 20533.3706 14466.4936 256.5383 -203421.7188 2795.6521 0.0000 0.0000 52188.3091 -109177.1982 299.9269 -161365.5073 -108812.7379 298.9447 -6.5321 31.5110 762945.7902 7.1961 6.8984 PRESSURE: 1559600 -371.603 115.844 -13.6952 115.844 27.6485 44.8645 -13.6957 44.8654 11.3798 GPRESSURE: 1559600 -373.687 90.91 -36.8495 158.607 122.7 133.923 132.159 58.6067 3.3937 PRESSAVG: 1559600 7.01041 -70.7202 36.1605 -70.7202 -15.4901 26.8906 36.1605 26.8906 33.4814 GPRESSAVG: 1559600 8.72519 -71.3956 35.7496 -70.3408 -15.7815 27.7294 35.4418 27.3373 32.7295 TIMING: 1559600 CPU: 4913.97, 0.00315811/step Wall: 4913.97, 0.0031581/step, 3.0181 hours remaining, 237.839844 MB of memory in use. ENERGY: 1559600 3941.4075 20525.4610 14516.8204 241.1423 -203188.5975 2675.9813 0.0000 0.0000 52255.5630 -109032.2219 300.3134 -161287.7849 -108653.4922 299.7889 -110.8582 -82.5312 763895.6967 8.3339 8.5577 PRESSURE: 1559800 -132.538 -48.5692 11.5406 -48.5685 122.011 134.408 11.5404 134.409 288.642 GPRESSURE: 1559800 -110.8 -27.6319 -78.2161 -51.7014 194.579 128.603 132.059 18.1963 272.295 PRESSAVG: 1559800 -1.33284 -17.9356 17.3336 -17.9356 -28.7151 -2.80975 17.3336 -2.80972 5.30875 GPRESSAVG: 1559800 -2.26679 -17.3833 17.5445 -19.9223 -28.6486 -2.63785 17.3366 -1.105 5.57264 TIMING: 1559800 CPU: 4914.59, 0.00313618/step Wall: 4914.59, 0.00313618/step, 2.99697 hours remaining, 237.839844 MB of memory in use. ENERGY: 1559800 3953.2250 20606.8429 14455.9641 270.5467 -203008.1761 2582.5135 0.0000 0.0000 52006.9632 -109132.1208 298.8847 -161139.0840 -108763.6601 299.3353 92.7051 118.6914 761774.0171 -8.2464 -8.4476 PRESSURE: 1560000 -214.995 -51.7629 -207.785 -51.7622 -19.0044 127.992 -207.785 127.992 -107.466 GPRESSURE: 1560000 -144.32 -84.3338 -246.81 -41.9549 -30.2077 134.687 -310.121 107.404 -80.761 PRESSAVG: 1560000 29.2636 -63.1693 12.8203 -63.1693 -43.4916 22.6408 12.8203 22.6408 10.0453 GPRESSAVG: 1560000 30.8384 -64.4651 11.5542 -62.3403 -44.2164 22.0922 14.0735 21.7909 9.40474 TIMING: 1560000 CPU: 4915.22, 0.0031183/step Wall: 4915.22, 0.0031183/step, 2.9797 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1560000 4039.5686 20528.0829 14490.5571 250.7490 -202767.0832 2316.0385 0.0000 0.0000 51858.3578 -109283.7293 298.0307 -161142.0871 -108918.2252 299.4521 -113.8216 -85.0963 763251.0196 -1.3943 -1.3244 PRESSURE: 1560200 306.943 -58.2789 218.643 -58.279 -89.4831 317.567 218.643 317.568 96.2965 GPRESSURE: 1560200 281.972 -172.975 240.317 -124.083 -71.2193 299.604 281.685 139.535 169.264 PRESSAVG: 1560200 39.6345 -8.19226 -2.71956 -8.19221 -56.3674 -0.682988 -2.71952 -0.683044 9.85281 GPRESSAVG: 1560200 39.1925 -7.0549 -1.92308 -10.9342 -57.035 0.29758 -3.94556 -2.42991 11.1251 TIMING: 1560200 CPU: 4915.84, 0.00312504/step Wall: 4915.84, 0.00312504/step, 2.98597 hours remaining, 237.839844 MB of memory in use. ENERGY: 1560200 3936.2380 20672.6879 14441.4057 257.8657 -203465.6684 2762.7375 0.0000 0.0000 52223.9019 -109170.8317 300.1315 -161394.7336 -108806.3528 299.4183 104.5854 126.6722 762080.4891 -2.2933 -2.2392 LDB: ============= START OF LOAD BALANCING ============== 4928.24 LDB: ============== END OF LOAD BALANCING =============== 4928.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4928.24 LDB: ============= START OF LOAD BALANCING ============== 4928.56 LDB: Largest compute 7068 load 0.032922 is 16.8% of average load 0.196000 LDB: Average compute 0.004382 is 2.2% of average load 0.196000 LDB: TIME 4928.56 LOAD: AVG 0.196 MAX 0.220355 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 4928.56 LOAD: AVG 0.196 MAX 0.220355 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 4928.56 LOAD: AVG 0.196 MAX 0.217663 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 4928.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4928.57 PRESSURE: 1560400 220.028 15.0941 172.813 15.0941 122.231 -226.294 172.813 -226.294 49.2202 GPRESSURE: 1560400 299.906 -100.05 175.229 47.8338 70.0129 -326.075 52.9458 -189.688 104.659 PRESSAVG: 1560400 46.1803 -0.311262 -32.9476 -0.311299 -19.2485 -33.0056 -32.9477 -33.0055 -23.0028 GPRESSAVG: 1560400 45.7746 -0.672195 -33.7462 2.06837 -18.2107 -34.3964 -29.8401 -31.6497 -23.7191 TIMING: 1560400 CPU: 4916.48, 0.00321012/step Wall: 4916.48, 0.00321012/step, 3.06709 hours remaining, 237.839844 MB of memory in use. ENERGY: 1560400 4001.4157 20428.8056 14544.6411 243.4373 -203929.0922 3050.8584 0.0000 0.0000 52323.1632 -109336.7709 300.7019 -161659.9341 -108968.4813 299.6914 130.4928 158.1926 761413.9139 1.3097 1.2816 PRESSURE: 1560600 -168.611 -172.64 -163.653 -172.64 -281.848 115.734 -163.653 115.733 -208.259 GPRESSURE: 1560600 -126.826 -60.7647 -129.177 -18.1858 -239.621 61.1308 -181.173 -0.979441 -188.03 PRESSAVG: 1560600 47.3996 -25.1796 -2.08467 -25.1796 6.16296 7.75364 -2.08478 7.75357 -14.795 GPRESSAVG: 1560600 47.817 -24.8997 -0.802162 -25.0106 6.00311 8.91318 -3.90729 6.14597 -14.523 TIMING: 1560600 CPU: 4917.11, 0.00311609/step Wall: 4917.11, 0.00311609/step, 2.97708 hours remaining, 238.042969 MB of memory in use. ENERGY: 1560600 3967.3670 20598.2177 14509.1730 246.3555 -203257.2848 2409.2355 0.0000 0.0000 51797.1309 -109729.8052 297.6788 -161526.9361 -109365.8758 299.1658 -219.5725 -184.8258 762605.7853 12.9225 13.0990 PRESSURE: 1560800 217.922 -27.9987 -73.2127 -27.9982 -348.046 -5.16173 -73.2139 -5.16223 -377.179 GPRESSURE: 1560800 165.941 -139.623 -158.784 -39.1124 -226.245 -22.9304 131.713 -44.254 -368.622 PRESSAVG: 1560800 38.2745 -43.3569 -5.2259 -43.3569 -56.7611 19.0629 -5.22586 19.0628 -3.27245 GPRESSAVG: 1560800 36.8457 -42.8883 -5.17891 -45.0554 -55.5455 19.6851 -7.26191 20.8445 -3.25934 TIMING: 1560800 CPU: 4917.73, 0.00312426/step Wall: 4917.73, 0.00312426/step, 2.98471 hours remaining, 238.042969 MB of memory in use. ENERGY: 1560800 3947.6659 20425.9231 14480.4532 266.5169 -202830.5017 2195.1409 0.0000 0.0000 51781.7587 -109733.0430 297.5905 -161514.8017 -109371.9290 298.3980 -169.1009 -142.9753 763177.9549 -7.2530 -7.3197 PRESSURE: 1561000 156.486 31.5275 199.607 31.5269 312.109 -106.864 199.607 -106.863 -104.736 GPRESSURE: 1561000 207.17 21.7536 212.249 66.8995 284.078 -25.7267 60.356 -267.9 -41.5236 PRESSAVG: 1561000 72.6874 -29.5386 68.654 -29.5386 -56.7618 18.5553 68.654 18.5553 -6.5595 GPRESSAVG: 1561000 72.7872 -30.4749 68.76 -26.6229 -56.3031 19.2114 68.8448 16.208 -6.08317 TIMING: 1561000 CPU: 4918.36, 0.00312339/step Wall: 4918.36, 0.00312339/step, 2.9837 hours remaining, 238.042969 MB of memory in use. ENERGY: 1561000 4091.3512 20275.6639 14543.2687 257.3183 -203767.5111 2923.2244 0.0000 0.0000 52027.1164 -109649.5683 299.0006 -161676.6847 -109292.5915 298.4265 121.2862 149.9083 761717.2243 3.1221 3.4670 PRESSURE: 1561200 43.0673 -16.5721 -4.91664 -16.5725 -396.495 2.06443 -4.9176 2.06324 -377.775 GPRESSURE: 1561200 -25.4172 -130.145 -43.0912 64.5562 -288.644 35.8636 -53.9303 -47.1441 -349.469 PRESSAVG: 1561200 41.09 -4.15348 -7.96259 -4.15342 -14.3134 65.1299 -7.96255 65.1298 11.392 GPRESSAVG: 1561200 40.2778 -4.19625 -6.58489 -4.70476 -13.6694 64.9879 -7.36141 68.0553 11.6214 TIMING: 1561200 CPU: 4918.99, 0.0031389/step Wall: 4918.99, 0.0031389/step, 2.99835 hours remaining, 238.042969 MB of memory in use. ENERGY: 1561200 3978.5877 20601.7496 14472.7415 251.5235 -203540.3380 2669.5574 0.0000 0.0000 52147.1646 -109419.0136 299.6905 -161566.1782 -109055.1501 299.2776 -243.7343 -221.1766 762081.1929 12.7229 12.7433 PRESSURE: 1561400 -123.363 -121.964 -34.7777 -121.965 -144.447 79.4283 -34.7773 79.4284 -40.7958 GPRESSURE: 1561400 -129.745 -243.677 -24.7557 -21.4314 -104.952 94.5868 -32.524 43.4242 2.84584 PRESSAVG: 1561400 52.8003 -50.1521 -55.5382 -50.1521 -85.9733 24.965 -55.5382 24.965 11.9503 GPRESSAVG: 1561400 53.165 -51.2688 -57.151 -49.5381 -85.2231 25.1348 -53.8033 25.5445 11.3137 TIMING: 1561400 CPU: 4919.61, 0.00313977/step Wall: 4919.61, 0.00313977/step, 2.99901 hours remaining, 238.042969 MB of memory in use. ENERGY: 1561400 3900.2362 20613.0087 14522.8873 262.8270 -203594.0500 2644.0830 0.0000 0.0000 52306.7315 -109344.2763 300.6075 -161651.0078 -108975.0506 299.4077 -102.8685 -77.2838 762696.8290 -7.0742 -6.9148 PRESSURE: 1561600 -251.962 -66.9427 191.881 -66.9427 -162.923 -55.5781 191.88 -55.5778 -28.1294 GPRESSURE: 1561600 -198.218 -81.6192 305.498 -91.0749 -95.7783 -53.0563 90.1531 -76.2273 -70.7087 PRESSAVG: 1561600 63.6928 -58.373 5.52672 -58.3731 -64.8238 16.5068 5.52677 16.5068 -21.1059 GPRESSAVG: 1561600 64.8779 -55.408 6.71454 -59.3294 -65.8312 17.2879 4.31971 15.042 -21.3159 TIMING: 1561600 CPU: 4920.24, 0.00313317/step Wall: 4920.24, 0.00313317/step, 2.99253 hours remaining, 238.042969 MB of memory in use. ENERGY: 1561600 4033.1448 20571.1256 14477.4491 247.0604 -203469.2744 2742.2362 0.0000 0.0000 52073.7914 -109324.4669 299.2688 -161398.2582 -108972.4644 299.6341 -147.6714 -121.5684 761708.0676 -7.4123 -7.4231 PRESSURE: 1561800 92.1586 91.4099 89.8333 91.4093 -38.726 -83.1247 89.8337 -83.1256 139.812 GPRESSURE: 1561800 95.0976 82.5745 35.7041 99.68 79.5845 -17.7638 -16.2864 -190.385 92.9483 PRESSAVG: 1561800 71.4712 -2.16747 57.5961 -2.16751 -54.4236 -59.1099 57.5961 -59.1099 21.0932 GPRESSAVG: 1561800 72.0643 -4.26213 56.2528 -0.695954 -53.988 -60.8764 57.1785 -60.6621 20.5135 TIMING: 1561800 CPU: 4920.87, 0.00313511/step Wall: 4920.87, 0.00313511/step, 2.99421 hours remaining, 238.042969 MB of memory in use. ENERGY: 1561800 3955.5702 20572.1968 14483.7815 256.6269 -203408.9820 2831.6485 0.0000 0.0000 51902.6418 -109406.5162 298.2852 -161309.1581 -109051.5581 299.3072 64.4150 89.2101 763491.5687 12.7136 12.8633 PRESSURE: 1562000 -305.536 26.0244 -126.556 26.0243 -181.456 148.599 -126.556 148.599 -267.935 GPRESSURE: 1562000 -341.658 6.1878 -43.1104 145.007 -101.05 129.312 -127.641 53.9955 -240.477 PRESSAVG: 1562000 -10.3403 -42.0983 1.87635 -42.0983 30.6609 -6.71288 1.8764 -6.71296 12.3676 GPRESSAVG: 1562000 -11.5187 -40.2408 2.54209 -44.2967 30.4536 -6.04177 1.99522 -4.56119 13.5852 TIMING: 1562000 CPU: 4921.5, 0.0031419/step Wall: 4921.5, 0.0031419/step, 3.00051 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1562000 3993.0397 20635.6866 14452.9815 243.8232 -203165.0706 2571.8624 0.0000 0.0000 52096.9669 -109170.7103 299.4020 -161267.6772 -108814.7653 299.4917 -251.6424 -227.7282 763200.2568 10.8961 10.8400 PRESSURE: 1562200 -66.7189 170.318 95.1226 170.318 147.457 -271.252 95.1228 -271.252 113.724 GPRESSURE: 1562200 -20.1716 105.038 170.878 35.5068 162.35 -271.363 160.421 -297.796 137.036 PRESSAVG: 1562200 62.2157 -44.7466 8.07049 -44.7465 -51.4525 15.9458 8.07051 15.9458 5.57745 GPRESSAVG: 1562200 62.8673 -44.7424 7.36713 -44.4673 -51.9518 15.7926 9.86688 16.9975 5.74612 TIMING: 1562200 CPU: 4922.12, 0.00313311/step Wall: 4922.12, 0.00313311/step, 2.99194 hours remaining, 238.042969 MB of memory in use. ENERGY: 1562200 3999.0605 20592.9742 14456.3457 259.8846 -203128.3373 2522.3845 0.0000 0.0000 52144.4754 -109153.2123 299.6750 -161297.6877 -108794.8714 300.0001 64.8205 93.0714 763181.9061 5.4469 5.5539 PRESSURE: 1562400 -145.629 -154.793 -30.6189 -154.793 222.211 31.4589 -30.6188 31.4584 -114.17 GPRESSURE: 1562400 3.9398 -105.947 -71.3564 -183.263 174.731 -6.8594 -7.02268 3.82258 -111.595 PRESSAVG: 1562400 -9.30509 11.1754 5.03585 11.1754 40.9493 -36.601 5.0358 -36.6009 -15.3276 GPRESSAVG: 1562400 -9.13601 9.43124 5.5711 12.2356 41.403 -38.8676 1.87821 -36.3241 -15.8946 TIMING: 1562400 CPU: 4922.75, 0.00314493/step Wall: 4922.75, 0.00314493/step, 3.00306 hours remaining, 238.042969 MB of memory in use. ENERGY: 1562400 3945.6482 20506.7802 14495.4460 239.2778 -203021.0994 2511.1683 0.0000 0.0000 52352.5102 -108970.2687 300.8706 -161322.7789 -108609.4834 300.5440 -12.5293 22.3584 762041.0784 5.4389 5.4574 PRESSURE: 1562600 -48.2491 -101.606 -12.0366 -101.606 -61.7657 52.8877 -12.0362 52.8888 -24.7961 GPRESSURE: 1562600 -7.9127 -5.23179 -26.9187 -137.494 -43.9789 65.772 -117.911 68.1215 11.4112 PRESSAVG: 1562600 7.69247 -46.1735 1.67195 -46.1735 5.03801 -2.43802 1.67191 -2.43795 -24.5997 GPRESSAVG: 1562600 8.42727 -45.1282 0.512865 -45.8908 3.29039 1.70653 4.00465 -4.35021 -23.4199 TIMING: 1562600 CPU: 4923.38, 0.00315337/step Wall: 4923.38, 0.00315337/step, 3.01094 hours remaining, 238.042969 MB of memory in use. ENERGY: 1562600 3980.8777 20729.9440 14512.5145 245.0810 -203323.2351 2460.4347 0.0000 0.0000 52386.6250 -109007.7582 301.0667 -161394.3832 -108638.6566 300.5581 -44.9369 -13.4935 760867.5158 -3.9564 -3.9008 PRESSURE: 1562800 -127.276 77.4649 -18.0964 77.4648 -118.757 -70.5326 -18.0954 -70.532 -32.612 GPRESSURE: 1562800 -88.5963 76.0256 108.895 95.7435 22.7518 -63.0678 -45.946 -181.558 -118.384 PRESSAVG: 1562800 -12.4712 -28.3279 19.2434 -28.3279 -4.99084 47.9353 19.2435 47.9353 12.2786 GPRESSAVG: 1562800 -14.1136 -28.9323 19.155 -28.9768 -3.51373 47.3693 18.19 48.3638 12.0054 TIMING: 1562800 CPU: 4924.01, 0.00313625/step Wall: 4924.01, 0.00313625/step, 2.99442 hours remaining, 238.042969 MB of memory in use. ENERGY: 1562800 4011.0139 20657.5242 14430.3397 248.8961 -203372.1816 2718.9536 0.0000 0.0000 52397.1639 -108908.2903 301.1272 -161305.4542 -108540.7505 300.3228 -92.8817 -61.4096 762881.2456 -1.7278 -1.8740 PRESSURE: 1563000 -69.3982 157.541 68.9449 157.54 -305.414 -23.6668 68.9448 -23.666 -48.2272 GPRESSURE: 1563000 -49.5197 219.719 139.716 117.307 -298.326 -53.8397 -5.32596 -131.399 -16.4903 PRESSAVG: 1563000 28.8405 -14.2413 24.6795 -14.2412 -11.1342 3.16808 24.6796 3.16807 12.9884 GPRESSAVG: 1563000 30.1639 -13.3529 25.6467 -16.2457 -11.302 2.01171 24.7838 1.8337 11.9935 TIMING: 1563000 CPU: 4924.63, 0.00312022/step Wall: 4924.63, 0.00312022/step, 2.97894 hours remaining, 238.042969 MB of memory in use. ENERGY: 1563000 3970.0293 20548.9001 14511.7962 277.1910 -203194.9719 2661.8069 0.0000 0.0000 52247.9957 -108977.2527 300.2699 -161225.2483 -108608.4679 300.5493 -141.0133 -121.4455 762866.7697 10.2316 10.2851 PRESSURE: 1563200 -31.2164 -159.633 87.7752 -159.634 -130.757 56.1247 87.7755 56.1243 -136.978 GPRESSURE: 1563200 -2.31821 -68.4901 -13.1112 -104.528 -135.494 4.10133 130.161 104.204 -83.6718 PRESSAVG: 1563200 42.8105 -6.4695 36.7852 -6.46949 -7.43414 -9.53187 36.7852 -9.53183 -4.861 GPRESSAVG: 1563200 42.2798 -6.45059 35.7529 -5.7684 -7.84892 -8.06434 35.8315 -10.7036 -3.98009 TIMING: 1563200 CPU: 4925.26, 0.00315208/step Wall: 4925.26, 0.00315208/step, 3.00918 hours remaining, 238.042969 MB of memory in use. ENERGY: 1563200 4074.8473 20646.2623 14439.5386 238.3733 -203384.3070 2740.6557 0.0000 0.0000 52377.5909 -108867.0390 301.0147 -161244.6299 -108507.5976 300.5156 -99.6503 -73.8279 762276.1462 10.1718 10.1503 PRESSURE: 1563400 430.288 128.678 -176.466 128.678 32.2735 283.274 -176.466 283.274 41.8841 GPRESSURE: 1563400 364.846 78.7384 -183.008 159.122 155.68 318.74 -187.13 341.789 74.9423 PRESSAVG: 1563400 -10.1715 -23.1303 8.77136 -23.1302 2.69793 -35.1456 8.77133 -35.1457 22.2874 GPRESSAVG: 1563400 -9.61959 -23.7224 8.95166 -22.8752 2.84674 -37.0225 10.7959 -30.8015 21.6681 TIMING: 1563400 CPU: 4925.89, 0.00313122/step Wall: 4925.89, 0.00313122/step, 2.9891 hours remaining, 238.042969 MB of memory in use. ENERGY: 1563400 3983.9556 20591.9897 14478.2894 262.8033 -203558.5368 2915.4879 0.0000 0.0000 52406.6218 -108919.3890 301.1816 -161326.0108 -108552.8447 300.9551 168.1487 198.4893 761555.9241 4.9380 4.9651 PRESSURE: 1563600 -324.994 -54.3795 36.108 -54.38 -35.2643 3.7816 36.1078 3.78128 56.3498 GPRESSURE: 1563600 -203.323 -90.9027 108.877 64.3402 -39.8897 -25.1583 15.1805 11.069 12.2998 PRESSAVG: 1563600 -9.97121 -64.0381 -8.55878 -64.0381 2.08546 43.8296 -8.55876 43.8296 0.0240261 GPRESSAVG: 1563600 -8.84319 -63.9686 -8.77528 -64.0255 0.953619 43.397 -7.70453 42.1508 -0.0510012 TIMING: 1563600 CPU: 4926.51, 0.00312562/step Wall: 4926.51, 0.00312562/step, 2.98358 hours remaining, 238.042969 MB of memory in use. ENERGY: 1563600 4002.6483 20574.5201 14500.9154 261.0615 -203150.8446 2421.3758 0.0000 0.0000 52408.8084 -108981.5150 301.1941 -161390.3234 -108602.3925 300.3973 -101.3028 -76.9710 762302.7091 -2.6206 -2.6469 PRESSURE: 1563800 -82.5707 190.373 -68.9332 190.373 -180.846 -196.826 -68.9333 -196.826 -229.002 GPRESSURE: 1563800 -126.505 277.899 -18.484 158.839 -179.124 -193.528 -127.74 -116.31 -94.4869 PRESSAVG: 1563800 14.5732 -22.7806 32.5516 -22.7806 -56.2043 9.64692 32.5516 9.64688 23.0404 GPRESSAVG: 1563800 13.2947 -22.666 32.9049 -22.4974 -55.5954 10.1212 33.5492 8.87848 23.8499 TIMING: 1563800 CPU: 4927.14, 0.00311982/step Wall: 4927.14, 0.00311982/step, 2.97786 hours remaining, 238.042969 MB of memory in use. ENERGY: 1563800 4014.5810 20586.8078 14491.6146 239.7246 -203300.8606 2765.5336 0.0000 0.0000 52202.9437 -108999.6553 300.0110 -161202.5989 -108634.3465 300.3504 -164.1396 -133.3721 761796.4141 -6.1969 -6.1503 PRESSURE: 1564000 131.276 -11.8822 8.72445 -11.8813 -254.999 -111.06 8.72278 -111.061 195.194 GPRESSURE: 1564000 20.7406 -64.7487 -69.1985 14.8214 -104.145 -58.7608 37.9219 -130.055 251.977 PRESSAVG: 1564000 6.63754 1.63949 91.0883 1.63947 8.29016 -64.7725 91.0882 -64.7725 26.1077 GPRESSAVG: 1564000 6.04049 1.51515 90.7817 1.6094 9.01465 -63.4709 89.3645 -60.9346 25.9023 TIMING: 1564000 CPU: 4927.77, 0.00313212/step Wall: 4927.77, 0.00313212/step, 2.98943 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1564000 3993.3920 20668.7096 14527.6057 255.6461 -203474.7918 2728.9702 0.0000 0.0000 52029.9698 -109270.4984 299.0170 -161300.4682 -108906.4310 300.4167 23.8237 56.1907 760036.2514 13.6785 13.6525 PRESSURE: 1564200 -287.182 89.1513 246.877 89.1518 -242.672 -183.289 246.876 -183.287 -217.989 GPRESSURE: 1564200 -158.229 141.233 286.545 -12.5513 -229.98 -104.678 172.029 -181.454 -275.144 PRESSAVG: 1564200 15.0672 21.5229 32.1143 21.5229 -12.5336 16.4837 32.1143 16.4837 -13.4709 GPRESSAVG: 1564200 15.6738 20.9665 35.1956 20.0436 -12.2041 15.4797 29.4775 14.6942 -14.8111 TIMING: 1564200 CPU: 4928.4, 0.00315413/step Wall: 4928.4, 0.00315413/step, 3.01026 hours remaining, 238.042969 MB of memory in use. ENERGY: 1564200 4058.8313 20506.2588 14424.2595 268.5783 -203340.3816 2559.4357 0.0000 0.0000 52056.6421 -109466.3760 299.1702 -161523.0181 -109107.0016 299.7650 -249.2808 -221.1178 760872.4101 -3.6457 -3.7805 LDB: ============= START OF LOAD BALANCING ============== 4940.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4940.79 LDB: =============== DONE WITH MIGRATION ================ 4940.8 LDB: ============= START OF LOAD BALANCING ============== 4941.11 LDB: Largest compute 7033 load 0.032862 is 16.8% of average load 0.196012 LDB: Average compute 0.004383 is 2.2% of average load 0.196012 LDB: TIME 4941.12 LOAD: AVG 0.196012 MAX 0.217248 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.098 MB LDB: TIME 4941.12 LOAD: AVG 0.196012 MAX 0.217248 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 4941.12 LOAD: AVG 0.196012 MAX 0.217248 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 4941.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4941.12 PRESSURE: 1564400 6.68646 -78.4174 187.017 -78.4178 175.68 -29.4754 187.017 -29.4743 -159.231 GPRESSURE: 1564400 53.7367 -31.8171 133.758 -51.2191 220.623 81.2747 89.1359 6.71328 -184.652 PRESSAVG: 1564400 -5.88904 28.8899 32.0145 28.8898 27.4497 47.7523 32.0145 47.7523 -24.6988 GPRESSAVG: 1564400 -5.55495 30.5701 29.0873 28.1857 26.9113 47.9673 34.5315 47.2257 -24.3461 TIMING: 1564400 CPU: 4929.04, 0.00322397/step Wall: 4929.04, 0.00322397/step, 3.07674 hours remaining, 237.328125 MB of memory in use. ENERGY: 1564400 3919.9898 20459.6681 14466.8960 250.4960 -203750.0879 2795.0590 0.0000 0.0000 52229.9876 -109627.9913 300.1665 -161857.9789 -109260.9454 298.8617 7.7119 29.9027 761558.6286 -1.0460 -0.9966 PRESSURE: 1564600 -128.19 -155.552 74.1772 -155.552 57.7392 82.7756 74.1773 82.7757 141.315 GPRESSURE: 1564600 -78.9153 -110.829 50.6206 -259.043 150.428 83.1907 123.632 -126.624 94.9229 PRESSAVG: 1564600 33.1225 -47.1825 9.95054 -47.1825 36.2452 43.8576 9.95061 43.8577 4.43724 GPRESSAVG: 1564600 32.7154 -48.9444 8.43493 -45.5327 35.9879 43.7099 11.9417 42.4054 5.31012 TIMING: 1564600 CPU: 4929.67, 0.00313499/step Wall: 4929.67, 0.00313499/step, 2.99166 hours remaining, 237.328125 MB of memory in use. ENERGY: 1564600 3956.8885 20389.2067 14488.4965 242.2684 -203375.4060 2591.7569 0.0000 0.0000 52260.5275 -109446.2615 300.3420 -161706.7890 -109079.1349 299.0434 23.6213 55.4786 761121.2087 24.6017 24.6711 PRESSURE: 1564800 119.31 -76.7985 149.04 -76.7987 159.96 170.808 149.041 170.806 6.65792 GPRESSURE: 1564800 115.828 -7.56221 242.715 -48.4038 169.396 172.524 114.115 223.13 78.0278 PRESSAVG: 1564800 15.1933 -21.1299 75.6893 -21.1299 -34.6358 13.6606 75.6893 13.6607 -0.566637 GPRESSAVG: 1564800 15.1478 -19.6891 77.5266 -21.751 -34.117 14.8234 73.2812 15.8745 -0.596748 TIMING: 1564800 CPU: 4930.3, 0.00315366/step Wall: 4930.3, 0.00315366/step, 3.00929 hours remaining, 237.328125 MB of memory in use. ENERGY: 1564800 3980.1307 20413.9005 14509.5438 261.8941 -203242.7783 2481.0266 0.0000 0.0000 52268.8108 -109327.4719 300.3896 -161596.2826 -108956.6893 299.6160 95.3092 121.0839 762714.8321 -6.6697 -6.5220 PRESSURE: 1565000 -301.046 31.2893 49.8981 31.2889 42.5934 -156.376 49.8982 -156.377 -184.255 GPRESSURE: 1565000 -206.525 137.02 62.4551 -10.2982 -0.324897 -168.394 -23.8231 -167.758 -131.702 PRESSAVG: 1565000 6.48871 -17.3122 31.5215 -17.3122 36.9749 -35.3769 31.5215 -35.3769 -6.09075 GPRESSAVG: 1565000 7.43317 -19.09 32.3962 -16.8138 36.6323 -36.6097 29.7688 -34.9979 -6.41241 TIMING: 1565000 CPU: 4930.93, 0.00316081/step Wall: 4930.93, 0.00316081/step, 3.01594 hours remaining, 237.328125 MB of memory in use. ENERGY: 1565000 4001.9140 20482.4524 14472.6031 280.9101 -203052.6061 2314.0964 0.0000 0.0000 51987.8083 -109512.8218 298.7746 -161500.6300 -109145.6544 299.7360 -147.5692 -112.8507 759673.1745 12.4576 12.5510 PRESSURE: 1565200 61.257 -164.153 -90.9903 -164.153 -236.193 179.304 -90.9906 179.304 -138.625 GPRESSURE: 1565200 92.6927 23.5525 -75.4143 -87.3882 -153.742 172.33 -68.1336 121.43 -159.469 PRESSAVG: 1565200 13.4912 19.7752 -36.2205 19.7752 -35.1482 -47.2027 -36.2204 -47.2027 -15.2318 GPRESSAVG: 1565200 13.0941 19.7765 -35.6886 20.6763 -35.4058 -45.5948 -34.0323 -50.6425 -14.1368 TIMING: 1565200 CPU: 4931.56, 0.00313348/step Wall: 4931.56, 0.00313348/step, 2.98968 hours remaining, 237.328125 MB of memory in use. ENERGY: 1565200 4022.8320 20414.8932 14480.7154 258.4495 -203216.1761 2356.9681 0.0000 0.0000 52130.5207 -109551.7973 299.5948 -161682.3179 -109188.8221 299.3021 -104.5202 -73.5060 759985.3107 -12.2963 -12.1495 PRESSURE: 1565400 -30.5371 167.449 20.7413 167.448 -60.1327 -130.65 20.7421 -130.651 22.2058 GPRESSURE: 1565400 60.9062 -31.9864 13.1338 143.345 -113.409 -254.466 68.6905 -184.379 86.2673 PRESSAVG: 1565400 -37.8218 -57.9122 13.8022 -57.9122 16.2461 -13.8918 13.8022 -13.8918 1.88069 GPRESSAVG: 1565400 -37.3589 -59.8463 12.7919 -60.3814 15.3533 -16.1032 14.8108 -12.8731 2.47529 TIMING: 1565400 CPU: 4932.19, 0.00314631/step Wall: 4932.19, 0.00314631/step, 3.00175 hours remaining, 237.328125 MB of memory in use. ENERGY: 1565400 3981.7375 20397.1219 14489.4234 238.0562 -203777.0333 2806.4171 0.0000 0.0000 52393.5514 -109470.7259 301.1065 -161864.2773 -109107.1995 299.8908 -22.8213 11.2548 760406.0457 -6.5650 -6.5101 PRESSURE: 1565600 -263.771 -89.0711 71.3148 -89.0707 -540.949 251.715 71.3147 251.715 -349.021 GPRESSURE: 1565600 -195.072 86.4464 81.474 67.7324 -503.105 178.485 6.17768 138.07 -383.057 PRESSAVG: 1565600 -25.7228 -46.905 31.3167 -46.905 4.2503 -9.37345 31.3167 -9.37352 -3.64036 GPRESSAVG: 1565600 -25.8527 -44.4343 31.9549 -46.0222 5.09709 -9.55702 29.2468 -8.67115 -4.91086 TIMING: 1565600 CPU: 4932.82, 0.00314659/step Wall: 4932.82, 0.00314658/step, 3.00184 hours remaining, 237.328125 MB of memory in use. ENERGY: 1565600 4090.6581 20598.2984 14464.4539 263.3918 -203128.7594 2494.8788 0.0000 0.0000 51790.7872 -109426.2911 297.6424 -161217.0784 -109069.0504 299.4685 -384.5804 -360.4115 761406.9409 -8.3709 -8.5555 PRESSURE: 1565800 -189.047 102.702 224.256 102.702 -399.772 227.35 224.257 227.35 -201.841 GPRESSURE: 1565800 -69.953 38.974 114.241 136.412 -420.055 221.73 95.1617 112.95 -226.567 PRESSAVG: 1565800 -5.0456 -23.0928 16.3861 -23.0928 30.9609 27.698 16.3862 27.6979 5.31299 GPRESSAVG: 1565800 -3.48567 -23.6547 14.6936 -23.6549 30.382 28.0316 15.8354 27.6394 5.06375 TIMING: 1565800 CPU: 4933.44, 0.00311654/step Wall: 4933.44, 0.00311654/step, 2.97301 hours remaining, 237.328125 MB of memory in use. ENERGY: 1565800 4036.8449 20652.7249 14531.6075 250.9716 -203189.0217 2218.5719 0.0000 0.0000 51977.1299 -109521.1712 298.7133 -161498.3010 -109166.9968 299.4780 -263.5535 -238.8584 761518.6686 10.4094 10.6534 PRESSURE: 1566000 -27.6537 -46.082 -14.7889 -46.0813 -215.82 121.577 -14.7893 121.578 -140.001 GPRESSURE: 1566000 -32.6842 -3.20034 7.39941 -122.756 -166.165 202.874 35.1133 147.97 -89.1221 PRESSAVG: 1566000 5.60243 -0.718604 17.3901 -0.718529 1.76164 46.5549 17.3901 46.5549 11.2508 GPRESSAVG: 1566000 5.30671 -0.959784 17.5442 1.07151 1.69905 48.0476 17.7851 48.4224 12.0696 TIMING: 1566000 CPU: 4934.07, 0.00313821/step Wall: 4934.07, 0.00313821/step, 2.99351 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1566000 3951.5925 20566.2460 14475.9917 254.5529 -203495.1368 2463.2314 0.0000 0.0000 52140.2723 -109643.2499 299.6509 -161783.5222 -109286.0666 299.2136 -127.8247 -95.9904 760634.8753 6.2050 6.3585 PRESSURE: 1566200 102.77 -21.4901 -196.5 -21.4901 113.767 27.4893 -196.5 27.4881 342.489 GPRESSURE: 1566200 130.325 -56.8832 -292.31 82.0301 156.047 70.5056 -176.823 -9.47985 365.003 PRESSAVG: 1566200 -36.2563 -67.3842 -38.3774 -67.3842 -17.6081 -29.197 -38.3774 -29.197 -4.64058 GPRESSAVG: 1566200 -37.1986 -67.5034 -38.1099 -69.2992 -16.6885 -30.3601 -36.7529 -31.7593 -5.46166 TIMING: 1566200 CPU: 4934.7, 0.00315219/step Wall: 4934.7, 0.00315219/step, 3.00667 hours remaining, 237.328125 MB of memory in use. ENERGY: 1566200 4046.8843 20559.5148 14458.3569 240.0800 -203687.6131 2788.3409 0.0000 0.0000 51983.6028 -109610.8335 298.7505 -161594.4363 -109258.6615 299.1890 186.3416 217.1252 760137.8428 -19.5017 -19.7829 PRESSURE: 1566400 522.727 25.1436 -213.756 25.1425 143.195 197.429 -213.756 197.429 52.5959 GPRESSURE: 1566400 546.61 110.254 -215.045 -10.8976 230.554 155.003 -158.671 67.2594 -6.67687 PRESSAVG: 1566400 59.2221 -18.71 -19.0888 -18.71 -17.4747 -30.7636 -19.0887 -30.7636 -3.88866 GPRESSAVG: 1566400 59.8794 -18.6333 -18.788 -17.4092 -17.5612 -32.7608 -20.0969 -30.0724 -4.69659 TIMING: 1566400 CPU: 4935.33, 0.00314068/step Wall: 4935.33, 0.00314068/step, 2.99551 hours remaining, 237.328125 MB of memory in use. ENERGY: 1566400 3939.2937 20560.5956 14477.9529 228.3387 -203540.8335 2896.5040 0.0000 0.0000 52092.0261 -109346.1224 299.3736 -161438.1485 -108987.7849 299.5142 239.5057 256.8291 761843.3835 12.6196 12.5405 PRESSURE: 1566600 195.341 55.6816 -29.0296 55.6813 66.5416 33.7046 -29.0293 33.7048 189.204 GPRESSURE: 1566600 230.836 4.07074 -67.7307 109.811 113.667 80.6712 -133.4 65.6046 194.566 PRESSAVG: 1566600 -2.28938 32.5289 18.9041 32.5289 9.39863 -10.2948 18.9041 -10.295 11.5648 GPRESSAVG: 1566600 -2.92137 33.4263 18.7025 32.5727 8.70492 -9.58669 16.4225 -9.88449 12.1432 TIMING: 1566600 CPU: 4935.95, 0.00313134/step Wall: 4935.95, 0.00313134/step, 2.98642 hours remaining, 237.328125 MB of memory in use. ENERGY: 1566600 3966.8162 20550.1546 14527.6853 241.1926 -203826.0277 2966.3101 0.0000 0.0000 52126.5495 -109447.3194 299.5720 -161573.8689 -109086.4020 299.4013 150.3619 179.6897 760457.7071 6.2247 5.9756 PRESSURE: 1566800 -408.523 -340.845 -9.70892 -340.846 86.2377 124.311 -9.70918 124.311 -17.166 GPRESSURE: 1566800 -289.351 -258.625 24.3294 -239.55 104.691 144.378 41.6501 93.8408 -55.6702 PRESSAVG: 1566800 -1.11402 -37.8998 -10.4494 -37.8997 -8.56555 -13.5827 -10.4494 -13.5826 21.0484 GPRESSAVG: 1566800 -1.38478 -38.0814 -9.75098 -37.6497 -7.80792 -13.4346 -9.19346 -13.1809 20.2952 TIMING: 1566800 CPU: 4936.58, 0.00313193/step Wall: 4936.58, 0.00313193/step, 2.98681 hours remaining, 237.328125 MB of memory in use. ENERGY: 1566800 4055.8470 20522.6856 14467.9753 251.3986 -203658.0358 2954.9670 0.0000 0.0000 51910.9003 -109494.2620 298.3327 -161405.1623 -109127.1792 299.4055 -113.1504 -80.1103 762231.7831 3.7896 3.7008 PRESSURE: 1567000 40.7116 -145.341 -55.7533 -145.341 -181.35 -82.1449 -55.7527 -82.1446 184.804 GPRESSURE: 1567000 42.2703 -217.092 14.5609 -171.492 -126.955 29.7497 -115.709 -180.766 214.695 PRESSAVG: 1567000 -47.4544 -76.7299 -15.4759 -76.7299 39.7784 -53.4564 -15.4759 -53.4564 4.14707 GPRESSAVG: 1567000 -48.4096 -77.7889 -15.2572 -77.4182 38.7971 -54.4598 -13.5707 -52.2674 5.9447 TIMING: 1567000 CPU: 4937.21, 0.00314289/step Wall: 4937.21, 0.00314289/step, 2.99709 hours remaining, 237.328125 MB of memory in use. ENERGY: 1567000 4006.0412 20332.5427 14547.7570 231.3542 -203352.3007 2569.9228 0.0000 0.0000 52153.5851 -109511.0977 299.7274 -161664.6827 -109147.0784 298.9073 14.7218 43.3368 762742.5422 -1.1763 -1.2226 PRESSURE: 1567200 -64.0015 -183.728 -124.394 -183.729 -100.514 -88.5385 -124.395 -88.538 -343.136 GPRESSURE: 1567200 -11.5342 -46.9121 -179.488 -176.494 -53.1909 -109.02 -184.313 -117.833 -345.891 PRESSAVG: 1567200 -7.07456 -1.19045 -18.1814 -1.19045 5.61673 23.5293 -18.1815 23.5294 22.7492 GPRESSAVG: 1567200 -6.04859 0.586576 -18.1656 -1.26556 5.48697 24.9094 -20.7577 21.9061 22.1455 TIMING: 1567200 CPU: 4937.83, 0.00313451/step Wall: 4937.83, 0.00313451/step, 2.98893 hours remaining, 237.328125 MB of memory in use. ENERGY: 1567200 4021.0558 20334.0176 14538.3663 242.7837 -203595.3624 2780.4704 0.0000 0.0000 51936.2745 -109742.3941 298.4785 -161678.6686 -109384.9692 298.8191 -169.2170 -136.8719 762537.2849 7.0971 7.1946 PRESSURE: 1567400 -64.3945 99.4007 -4.20375 99.4001 -367.245 -42.7138 -4.20261 -42.713 -182.575 GPRESSURE: 1567400 -10.0168 92.3057 24.0594 163.159 -338.679 -72.6296 -34.7124 1.78069 -165.458 PRESSAVG: 1567400 -24.2619 -34.5227 -24.8777 -34.5227 47.4154 7.75992 -24.8776 7.75989 -19.4067 GPRESSAVG: 1567400 -24.0814 -34.2005 -25.9512 -33.8859 47.0491 7.2588 -22.6951 9.28383 -19.4888 TIMING: 1567400 CPU: 4938.46, 0.00315755/step Wall: 4938.46, 0.00315755/step, 3.01073 hours remaining, 237.328125 MB of memory in use. ENERGY: 1567400 3936.4559 20635.7397 14497.7574 258.6168 -203335.3661 2572.2775 0.0000 0.0000 51821.6240 -109612.8949 297.8196 -161434.5189 -109251.8789 298.0513 -204.7381 -171.3844 763533.7949 1.2489 1.1596 PRESSURE: 1567600 -64.1798 46.7709 -59.641 46.7706 66.4306 271.734 -59.6406 271.734 14.2969 GPRESSURE: 1567600 25.3818 15.3452 -29.5533 -116.251 111.314 233.173 -29.6446 224.42 -26.0056 PRESSAVG: 1567600 -53.4657 -4.46261 -81.8561 -4.46265 53.18 43.3308 -81.856 43.3307 4.86615 GPRESSAVG: 1567600 -52.8729 -4.59021 -81.6417 -3.50461 53.0856 43.2207 -83.3279 40.7611 4.21234 TIMING: 1567600 CPU: 4939.09, 0.00314114/step Wall: 4939.09, 0.00314114/step, 2.99491 hours remaining, 237.328125 MB of memory in use. ENERGY: 1567600 3995.8122 20573.2155 14527.4927 268.1338 -203427.7249 2696.2021 0.0000 0.0000 51919.8825 -109446.9862 298.3843 -161366.8687 -109089.7902 299.0194 5.5159 36.8966 762160.9791 1.5268 1.4750 PRESSURE: 1567800 63.7634 -212.706 144.197 -212.706 -21.619 7.95256 144.197 7.95269 87.6031 GPRESSURE: 1567800 143.343 -163.99 99.9776 -171.789 -4.19048 85.8226 101.407 143.02 69.1116 PRESSAVG: 1567800 -19.1596 -44.0129 -42.5392 -44.013 12.65 0.0460865 -42.5392 0.0460929 11.657 GPRESSAVG: 1567800 -19.6697 -44.5668 -42.5434 -46.0858 12.9881 1.12456 -42.0561 2.6543 11.5228 TIMING: 1567800 CPU: 4939.72, 0.00312883/step Wall: 4939.72, 0.00312883/step, 2.983 hours remaining, 237.328125 MB of memory in use. ENERGY: 1567800 4006.9939 20648.1969 14426.1919 241.4151 -203559.7680 2667.3201 0.0000 0.0000 52008.6468 -109561.0033 298.8944 -161569.6500 -109212.2553 299.1444 43.2492 69.4213 760928.6273 1.7158 1.6137 PRESSURE: 1568000 156.66 -145.347 -253.259 -145.346 116.282 232.554 -253.259 232.553 229.392 GPRESSURE: 1568000 121.027 4.15842 -277.019 16.0418 159.481 184.188 -130.868 88.5188 328.426 PRESSAVG: 1568000 18.5001 -56.3415 -39.4853 -56.3415 -25.7002 68.6862 -39.4853 68.6862 5.12874 GPRESSAVG: 1568000 17.4033 -58.4242 -39.8452 -54.8943 -25.74 67.8513 -39.4242 66.8554 6.27475 TIMING: 1568000 CPU: 4940.35, 0.00314329/step Wall: 4940.35, 0.00314329/step, 2.9966 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1568000 4004.1534 20577.0850 14449.8957 243.7239 -203546.6318 2658.6949 0.0000 0.0000 51993.2912 -109619.7877 298.8062 -161613.0789 -109264.1089 298.9418 167.4447 202.9781 760055.7973 -0.6905 -0.6873 PRESSURE: 1568200 -33.9841 -117.841 63.4199 -117.841 -194.891 46.5694 63.42 46.5702 19.1225 GPRESSURE: 1568200 -17.8325 -93.0302 -83.9439 -126.085 -44.1676 30.8839 -5.27746 108.166 -70.9619 PRESSAVG: 1568200 35.5981 -15.585 -13.6358 -15.5849 -48.0288 -53.5948 -13.6359 -53.5948 -8.36453 GPRESSAVG: 1568200 35.4723 -13.7281 -13.7288 -14.5222 -48.3481 -53.3225 -12.3428 -52.2179 -8.60976 TIMING: 1568200 CPU: 4940.97, 0.00312049/step Wall: 4940.97, 0.00312049/step, 2.97469 hours remaining, 237.328125 MB of memory in use. ENERGY: 1568200 3982.9338 20482.2086 14475.7382 231.4972 -203627.0259 2645.6368 0.0000 0.0000 52112.6144 -109696.3970 299.4919 -161809.0113 -109336.7951 298.5910 -69.9174 -44.3207 761900.5318 -6.9317 -7.1619 LDB: ============= START OF LOAD BALANCING ============== 4953.37 LDB: ============== END OF LOAD BALANCING =============== 4953.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4953.37 LDB: ============= START OF LOAD BALANCING ============== 4953.68 LDB: Largest compute 7062 load 0.034033 is 17.4% of average load 0.196050 LDB: Average compute 0.004373 is 2.2% of average load 0.196050 LDB: TIME 4953.69 LOAD: AVG 0.19605 MAX 0.217745 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.328 MB LDB: TIME 4953.69 LOAD: AVG 0.19605 MAX 0.217745 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.328 MB LDB: TIME 4953.69 LOAD: AVG 0.19605 MAX 0.217745 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.328 MB LDB: ============== END OF LOAD BALANCING =============== 4953.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4953.69 PRESSURE: 1568400 -22.0029 -64.1996 -98.8143 -64.1994 -295.758 102.018 -98.8132 102.017 -161.883 GPRESSURE: 1568400 -33.5935 -19.2592 -93.3049 96.2029 -285.868 102.973 -248.958 156.737 -75.2746 PRESSAVG: 1568400 18.1687 -18.0803 -38.6993 -18.0804 10.6669 -28.8888 -38.6993 -28.8888 -10.4269 GPRESSAVG: 1568400 17.7596 -17.1052 -38.2459 -20.8671 10.6938 -28.6765 -38.4242 -30.7896 -10.0982 TIMING: 1568400 CPU: 4941.61, 0.00319678/step Wall: 4941.61, 0.00319678/step, 3.04724 hours remaining, 238.148438 MB of memory in use. ENERGY: 1568400 4009.2901 20540.4197 14521.3444 248.5848 -203239.8965 2462.8168 0.0000 0.0000 51849.5107 -109607.9301 297.9799 -161457.4408 -109249.3700 298.7417 -159.8813 -131.5786 762998.3475 6.1362 6.1184 PRESSURE: 1568600 -241.724 32.9971 174.177 32.9969 -198.97 141.164 174.178 141.166 -46.4064 GPRESSURE: 1568600 -156.738 46.0539 264.436 80.2576 -140.023 133.02 211.497 114.43 -83.8117 PRESSAVG: 1568600 29.0361 21.3784 -28.9411 21.3784 -26.6499 7.08163 -28.9411 7.08174 -31.3376 GPRESSAVG: 1568600 28.7843 20.8659 -27.6389 22.7148 -26.0861 5.91959 -31.4719 8.04055 -31.8701 TIMING: 1568600 CPU: 4942.23, 0.00311121/step Wall: 4942.23, 0.00311121/step, 2.96551 hours remaining, 238.148438 MB of memory in use. ENERGY: 1568600 3953.6413 20550.4337 14546.6258 260.2582 -203339.8477 2673.3680 0.0000 0.0000 51956.6766 -109398.8441 298.5957 -161355.5208 -109039.9868 299.1102 -162.3669 -126.8575 763557.2995 -9.6504 -9.7240 PRESSURE: 1568800 -21.7336 -87.8319 -14.6612 -87.8317 296.645 66.6328 -14.6618 66.6323 -71.237 GPRESSURE: 1568800 37.1425 -218.674 46.3511 -82.3467 288.144 39.7955 67.902 19.7528 -47.0354 PRESSAVG: 1568800 48.1109 12.6932 -29.0354 12.6932 -82.3345 16.4473 -29.0355 16.4472 -0.158794 GPRESSAVG: 1568800 49.5314 11.8817 -29.2672 11.848 -83.4597 17.5461 -26.8166 16.3772 -0.595352 TIMING: 1568800 CPU: 4942.87, 0.0031627/step Wall: 4942.87, 0.0031627/step, 3.0144 hours remaining, 238.148438 MB of memory in use. ENERGY: 1568800 3956.1777 20473.9298 14428.6767 242.9908 -203727.6920 2932.9549 0.0000 0.0000 51931.9920 -109760.9702 298.4539 -161692.9622 -109390.2498 299.3151 67.8913 92.7502 760451.4350 -11.4608 -11.5079 PRESSURE: 1569000 -80.5753 239.71 -7.02324 239.71 -93.4343 155.265 -7.02377 155.264 -213.664 GPRESSURE: 1569000 -116.993 192.325 -100.817 244.016 -59.6894 191.974 -100.981 35.1591 -132.452 PRESSAVG: 1569000 67.4834 -19.8234 14.0809 -19.8233 -29.7866 -23.9249 14.0809 -23.9249 5.74818 GPRESSAVG: 1569000 67.2785 -19.7077 12.2276 -19.9808 -30.3094 -22.5701 12.6608 -23.0361 6.90169 TIMING: 1569000 CPU: 4943.49, 0.00311064/step Wall: 4943.49, 0.00311064/step, 2.96461 hours remaining, 238.148438 MB of memory in use. ENERGY: 1569000 4001.3102 20486.3549 14500.3947 254.7452 -203880.7257 2853.6429 0.0000 0.0000 52191.8205 -109592.4573 299.9471 -161784.2778 -109222.6581 298.4298 -129.2246 -103.0449 761011.1685 14.4817 14.6236 PRESSURE: 1569200 -22.1096 -160.51 -76.0871 -160.509 -22.8442 -162.153 -76.0872 -162.154 118.764 GPRESSURE: 1569200 123.742 -216.464 -112.004 -172.423 -53.9724 -166.344 -125.062 -88.4594 72.2365 PRESSAVG: 1569200 12.1643 -19.413 -4.57927 -19.413 -24.2018 -16.5073 -4.57935 -16.5073 -6.33288 GPRESSAVG: 1569200 10.6627 -19.559 -4.66798 -19.9 -23.8522 -17.7928 -5.15672 -16.8884 -5.18999 TIMING: 1569200 CPU: 4944.11, 0.00311822/step Wall: 4944.11, 0.00311822/step, 2.97166 hours remaining, 238.148438 MB of memory in use. ENERGY: 1569200 3954.9850 20640.2445 14540.4547 267.7268 -203536.8895 2595.5252 0.0000 0.0000 52114.9042 -109423.0490 299.5051 -161537.9533 -109050.9374 299.0121 24.6034 47.3354 761750.2594 -6.1235 -6.1265 PRESSURE: 1569400 164.493 307.883 -5.09333 307.884 -114.226 -66.6944 -5.09326 -66.6945 -259.696 GPRESSURE: 1569400 86.7972 295.442 28.383 260.408 -2.696 -28.4091 146.464 -116.251 -236.104 PRESSAVG: 1569400 -14.8317 42.8212 4.7359 42.8212 43.6089 -41.2637 4.7358 -41.2636 -21.2785 GPRESSAVG: 1569400 -14.1402 43.3449 5.5302 44.6857 43.2879 -41.1755 6.64214 -40.5913 -21.7804 TIMING: 1569400 CPU: 4944.74, 0.0031219/step Wall: 4944.74, 0.0031219/step, 2.975 hours remaining, 238.148438 MB of memory in use. ENERGY: 1569400 3907.3014 20528.6982 14539.5282 234.1175 -202854.3968 2240.2427 0.0000 0.0000 52120.5460 -109283.9627 299.5375 -161404.5087 -108921.8017 299.0182 -69.8097 -50.6677 761174.8806 2.4996 2.4558 PRESSURE: 1569600 -0.620296 164.144 -54.4082 164.143 77.4436 -40.0736 -54.4075 -40.0743 -82.2193 GPRESSURE: 1569600 8.62464 253.342 -78.9064 178.478 103.562 -31.238 37.434 -70.8945 -35.9264 PRESSAVG: 1569600 47.5555 27.5411 8.33051 27.5411 -13.4308 -42.4528 8.33051 -42.4529 8.93278 GPRESSAVG: 1569600 47.3651 28.3355 7.81848 26.6637 -12.4426 -41.5667 8.85224 -41.5899 8.53391 TIMING: 1569600 CPU: 4945.36, 0.00314148/step Wall: 4945.36, 0.00314148/step, 2.99349 hours remaining, 238.148438 MB of memory in use. ENERGY: 1569600 3951.9932 20497.4828 14523.2866 245.8755 -202819.8903 2292.9924 0.0000 0.0000 51920.0463 -109388.2134 298.3852 -161308.2597 -109025.9574 299.6914 -1.7987 25.4200 762901.9734 14.3525 14.4855 PRESSURE: 1569800 -463.67 -24.2807 30.5861 -24.2809 -87.584 297.183 30.5854 297.183 -242.717 GPRESSURE: 1569800 -435.511 8.4939 -53.5417 -75.5165 -110.771 267.167 46.6051 229.917 -172.161 PRESSAVG: 1569800 -23.022 -10.0643 -5.64406 -10.0643 -2.70159 2.38786 -5.6441 2.38779 10.4574 GPRESSAVG: 1569800 -21.2583 -10.6702 -4.22951 -11.5064 -3.6554 0.946285 -5.62532 3.21834 9.87091 TIMING: 1569800 CPU: 4946, 0.00315428/step Wall: 4946, 0.00315428/step, 3.00551 hours remaining, 238.148438 MB of memory in use. ENERGY: 1569800 4037.4068 20589.9238 14466.3652 228.6749 -203260.5196 2495.3749 0.0000 0.0000 52219.0792 -109223.6947 300.1038 -161442.7739 -108861.5665 299.1375 -264.6570 -239.4808 761665.3665 -5.0888 -5.0142 PRESSURE: 1570000 186.595 71.0024 343.754 71.0024 -25.4297 -66.764 343.754 -66.7628 340.941 GPRESSURE: 1570000 222.409 71.6233 261.354 -22.3373 31.739 -29.8868 297.014 -135.591 344.22 PRESSAVG: 1570000 -15.029 69.4097 -17.225 69.4098 6.65296 -1.85821 -17.225 -1.85835 11.7974 GPRESSAVG: 1570000 -15.0933 69.5328 -19.1378 70.9469 6.98799 -0.488524 -17.7331 -5.72208 11.5132 TIMING: 1570000 CPU: 4946.62, 0.00311122/step Wall: 4946.62, 0.00311122/step, 2.9643 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1570000 4018.4555 20335.3059 14500.5965 248.5057 -203018.4131 2557.6414 0.0000 0.0000 52099.4320 -109258.4763 299.4162 -161357.9083 -108892.9523 299.6946 167.3685 199.4561 760622.2775 1.1404 1.1360 PRESSURE: 1570200 51.1741 -115.038 -51.7483 -115.038 123.434 -48.8903 -51.7476 -48.8897 36.9686 GPRESSURE: 1570200 97.0094 -126.246 -6.99937 -73.7868 169.143 -11.1068 62.2491 -59.4515 14.7044 PRESSAVG: 1570200 38.3678 -19.1558 11.7756 -19.1558 1.25807 -30.3739 11.7756 -30.3739 14.7599 GPRESSAVG: 1570200 37.2036 -20.3469 12.764 -19.1563 1.97766 -30.88 9.75038 -28.5979 14.5234 TIMING: 1570200 CPU: 4947.24, 0.00310962/step Wall: 4947.24, 0.00310962/step, 2.9626 hours remaining, 238.148438 MB of memory in use. ENERGY: 1570200 3999.4732 20618.5915 14441.2902 282.8571 -203171.4158 2508.2509 0.0000 0.0000 52244.7811 -109076.1720 300.2515 -161320.9530 -108716.7703 299.6908 70.5255 93.6189 761033.1565 18.1286 17.9015 PRESSURE: 1570400 -124.593 -34.6289 -68.9876 -34.6283 456.911 21.7777 -68.9872 21.7784 479.484 GPRESSURE: 1570400 -62.9085 -180.227 -75.927 42.9709 463.236 40.6061 -98.1185 26.7071 475.211 PRESSAVG: 1570400 -79.9315 -16.4774 16.3917 -16.4774 49.844 16.4812 16.3918 16.4812 3.31705 GPRESSAVG: 1570400 -79.5639 -17.1799 15.1827 -16.5041 49.6537 16.6631 19.1854 13.3373 3.66317 TIMING: 1570400 CPU: 4947.86, 0.0031148/step Wall: 4947.86, 0.0031148/step, 2.96737 hours remaining, 238.148438 MB of memory in use. ENERGY: 1570400 3892.7637 20541.9713 14500.1558 244.0509 -203022.4101 2663.5345 0.0000 0.0000 52009.0436 -109170.8903 298.8967 -161179.9339 -108793.9628 299.4302 270.6005 291.8462 761187.8167 -8.9235 -8.7490 PRESSURE: 1570600 162.848 -76.5433 -32.6955 -76.5439 -46.4778 -160.567 -32.6965 -160.567 255.074 GPRESSURE: 1570600 207.89 -62.0106 -35.6863 -76.0806 3.64974 -212.644 22.4509 -134.68 229.709 PRESSAVG: 1570600 31.1644 -41.4917 -31.7778 -41.4916 -17.7301 -29.271 -31.7778 -29.271 -15.9332 GPRESSAVG: 1570600 31.958 -41.5657 -31.497 -40.8797 -17.6776 -30.056 -33.0748 -25.895 -16.8817 TIMING: 1570600 CPU: 4948.49, 0.00311537/step Wall: 4948.49, 0.00311537/step, 2.96774 hours remaining, 238.148438 MB of memory in use. ENERGY: 1570600 3995.0985 20382.9061 14423.7605 247.4145 -203030.4331 2432.5196 0.0000 0.0000 52227.1062 -109321.6278 300.1499 -161548.7340 -108947.8849 299.0472 123.8147 147.0828 761639.3682 -0.8330 -0.8671 PRESSURE: 1570800 -83.181 105.54 -85.0037 105.54 -121.422 -166.044 -85.003 -166.044 -94.4497 GPRESSURE: 1570800 -67.2167 59.4474 -2.7323 99.8042 -10.6137 -120.889 -94.4014 -51.828 -146.335 PRESSAVG: 1570800 16.1609 -30.7962 27.838 -30.7962 -48.1711 -13.2281 27.838 -13.2281 3.46842 GPRESSAVG: 1570800 15.6785 -31.21 29.122 -32.4452 -47.484 -13.3649 29.6272 -14.2995 3.44526 TIMING: 1570800 CPU: 4949.11, 0.00311338/step Wall: 4949.11, 0.00311338/step, 2.96567 hours remaining, 238.148438 MB of memory in use. ENERGY: 1570800 3978.5887 20507.2762 14472.2206 234.4485 -203152.4822 2516.7611 0.0000 0.0000 51905.8655 -109537.3217 298.3037 -161443.1871 -109178.8995 298.7860 -99.6841 -74.7217 762472.0396 -9.5139 -9.4534 PRESSURE: 1571000 -288.023 -45.645 263.939 -45.644 -154.792 -71.1445 263.939 -71.1455 -9.62621 GPRESSURE: 1571000 -123.505 -67.1897 322.643 1.78491 -156.644 -113.292 169.736 -119.19 -72.2592 PRESSAVG: 1571000 21.7871 -18.3459 -37.8985 -18.3459 -51.0018 -11.8537 -37.8985 -11.8538 -6.46313 GPRESSAVG: 1571000 22.1985 -17.2188 -37.0578 -15.6653 -52.1868 -9.69064 -41.0297 -12.6727 -5.45207 TIMING: 1571000 CPU: 4949.73, 0.00311593/step Wall: 4949.73, 0.00311593/step, 2.96792 hours remaining, 238.148438 MB of memory in use. ENERGY: 1571000 3984.8911 20469.5951 14516.1409 254.9145 -202837.7133 2208.2420 0.0000 0.0000 52008.8235 -109395.1060 298.8954 -161403.9295 -109027.7865 298.6863 -150.8138 -117.4695 762920.8209 -11.8926 -11.8135 PRESSURE: 1571200 -378.287 -150.392 -250.904 -150.392 -373.114 93.7411 -250.904 93.7415 -248.85 GPRESSURE: 1571200 -230.349 -40.1219 -341.694 -163.057 -459.898 72.1422 -221.611 125.055 -228.488 PRESSAVG: 1571200 80.1414 -102.32 67.0697 -102.32 -66.1497 41.9842 67.0696 41.9842 6.13406 GPRESSAVG: 1571200 79.5404 -101.02 64.064 -103.875 -65.5213 40.695 69.1653 43.5863 6.26373 TIMING: 1571200 CPU: 4950.36, 0.00312059/step Wall: 4950.36, 0.00312059/step, 2.97219 hours remaining, 238.148438 MB of memory in use. ENERGY: 1571200 4000.3724 20566.1919 14487.1839 261.0773 -203466.9348 2717.7180 0.0000 0.0000 52132.0553 -109302.3361 299.6036 -161434.3914 -108947.0674 299.0306 -333.4169 -306.2447 762043.0030 6.7086 6.7610 PRESSURE: 1571400 -63.7119 84.7683 -168.269 84.7688 -91.1822 -114.925 -168.269 -114.926 -8.23093 GPRESSURE: 1571400 93.6121 -21.0185 -91.2408 20.763 -71.1811 -61.5297 -238.82 -95.5421 -87.1385 PRESSAVG: 1571400 72.1152 -26.0853 15.139 -26.0853 -40.722 61.6594 15.139 61.6595 -13.4885 GPRESSAVG: 1571400 71.8979 -26.4158 16.7515 -27.2994 -39.0714 62.5101 13.6015 60.5691 -14.8699 TIMING: 1571400 CPU: 4950.98, 0.00313918/step Wall: 4950.98, 0.00313918/step, 2.98972 hours remaining, 238.148438 MB of memory in use. ENERGY: 1571400 3967.4187 20445.3866 14478.9165 244.8288 -202998.1014 2482.8624 0.0000 0.0000 52083.7769 -109294.9115 299.3262 -161378.6883 -108931.5677 299.5378 -54.3750 -21.5692 762159.3451 5.9683 5.9855 PRESSURE: 1571600 -307.261 -167.636 -239.095 -167.636 -150.545 145.552 -239.096 145.552 251.609 GPRESSURE: 1571600 -231.896 -170.792 -302.279 -83.9794 -122.657 158.743 -301.682 95.7549 233.857 PRESSAVG: 1571600 37.8153 19.7141 -52.9931 19.714 -38.7116 13.5544 -52.9931 13.5543 -14.7254 GPRESSAVG: 1571600 38.1637 18.5202 -53.13 21.3415 -39.5235 12.0003 -52.4429 14.2567 -14.3494 TIMING: 1571600 CPU: 4951.61, 0.00312804/step Wall: 4951.61, 0.00312804/step, 2.97893 hours remaining, 238.148438 MB of memory in use. ENERGY: 1571600 4064.2692 20330.4908 14522.3976 231.3818 -203435.3652 2588.1065 0.0000 0.0000 52425.9692 -109272.7502 301.2928 -161698.7193 -108902.8662 299.3978 -68.7324 -40.2321 760923.2739 -5.2073 -5.2364 PRESSURE: 1571800 -165.954 166.182 109.485 166.183 175.848 239.685 109.485 239.686 -65.5565 GPRESSURE: 1571800 -42.3245 240.385 94.26 186.595 65.1108 217.225 38.6134 224.571 -12.903 PRESSAVG: 1571800 30.0694 -4.8165 -9.71238 -4.8165 -39.155 63.5721 -9.71235 63.5721 17.2437 GPRESSAVG: 1571800 29.6751 -3.81212 -10.3882 -4.51616 -40.0323 64.7668 -9.6395 61.3671 18.5343 TIMING: 1571800 CPU: 4952.24, 0.00313228/step Wall: 4952.24, 0.00313228/step, 2.9828 hours remaining, 238.148438 MB of memory in use. ENERGY: 1571800 3938.7547 20439.1672 14413.2556 221.7832 -203174.3564 2765.3828 0.0000 0.0000 52164.8346 -109231.1782 299.7920 -161396.0128 -108863.3039 299.8002 -18.5540 3.2944 763173.7346 2.7194 2.7257 PRESSURE: 1572000 -334.864 85.7594 9.64478 85.7594 -144.398 129.544 9.64534 129.544 -266.95 GPRESSURE: 1572000 -320.787 78.0996 -38.4699 34.0479 -188.235 164.976 6.25498 39.0739 -177.474 PRESSAVG: 1572000 12.8015 -14.748 -11.8045 -14.748 52.103 -0.481787 -11.8045 -0.481819 14.8339 GPRESSAVG: 1572000 14.1084 -13.3973 -10.8973 -14.65 51.5263 -0.241227 -11.906 3.75262 13.7161 TIMING: 1572000 CPU: 4952.87, 0.00314989/step Wall: 4952.87, 0.00314989/step, 2.9994 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1572000 3951.1410 20658.1776 14423.7194 273.8608 -203017.1185 2344.3827 0.0000 0.0000 52273.3935 -109092.4435 300.4159 -161365.8370 -108733.6334 299.9141 -248.7374 -228.8319 762303.1556 26.5795 26.4503 PRESSURE: 1572200 51.1216 206.711 -187.625 206.71 -81.3356 8.27871 -187.626 8.27926 317.391 GPRESSURE: 1572200 -37.793 199.095 -179.916 245.731 99.2799 70.8464 -173.571 25.9075 307.085 PRESSAVG: 1572200 23.7451 20.9182 27.8856 20.9182 -16.743 109.655 27.8857 109.655 -7.11034 GPRESSAVG: 1572200 21.7428 19.9821 26.6682 19.6981 -14.5678 110.853 26.9331 106.762 -6.98431 TIMING: 1572200 CPU: 4953.49, 0.00311483/step Wall: 4953.49, 0.00311483/step, 2.96584 hours remaining, 238.148438 MB of memory in use. ENERGY: 1572200 4007.4420 20686.3526 14428.7482 215.3539 -202970.5215 2408.6245 0.0000 0.0000 52179.9774 -109044.0229 299.8790 -161224.0003 -108692.8986 299.9960 95.7256 122.8574 760821.8204 -0.0361 0.0636 LDB: ============= START OF LOAD BALANCING ============== 4965.88 LDB: ============== END OF LOAD BALANCING =============== 4965.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4965.89 LDB: ============= START OF LOAD BALANCING ============== 4966.2 LDB: Largest compute 7034 load 0.032100 is 16.4% of average load 0.196023 LDB: Average compute 0.004383 is 2.2% of average load 0.196023 LDB: TIME 4966.2 LOAD: AVG 0.196023 MAX 0.214268 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 4966.2 LOAD: AVG 0.196023 MAX 0.214268 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: TIME 4966.2 LOAD: AVG 0.196023 MAX 0.214268 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: ============== END OF LOAD BALANCING =============== 4966.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4966.21 PRESSURE: 1572400 58.5302 69.1513 -139.522 69.1512 262.229 100.605 -139.522 100.605 110.704 GPRESSURE: 1572400 112.926 102.383 -173.668 83.1112 322.512 112.417 30.9013 186.948 73.9243 PRESSAVG: 1572400 64.9533 -87.7091 -38.5613 -87.709 -101.926 61.4844 -38.5614 61.4844 30.4411 GPRESSAVG: 1572400 65.7525 -88.6711 -38.3322 -88.3661 -103.197 58.3242 -36.7679 62.723 30.5106 TIMING: 1572400 CPU: 4954.13, 0.00319203/step Wall: 4954.13, 0.00319203/step, 3.03917 hours remaining, 238.667969 MB of memory in use. ENERGY: 1572400 4032.2123 20600.4256 14468.2601 243.7422 -202993.4401 2442.5175 0.0000 0.0000 52066.4495 -109139.8330 299.2266 -161206.2824 -108783.9306 300.0077 143.8208 169.7875 759947.9770 -2.1772 -2.3114 PRESSURE: 1572600 -128.527 -61.1879 -83.9268 -61.1879 -214.841 78.1031 -83.9273 78.102 2.10244 GPRESSURE: 1572600 -88.199 -79.2748 -66.0219 -49.4467 -189.362 -57.9121 -43.0405 -52.3829 27.4622 PRESSAVG: 1572600 68.0394 3.46801 -10.6293 3.46802 -21.7433 11.4401 -10.6293 11.4402 11.3422 GPRESSAVG: 1572600 68.6351 6.76089 -10.6174 5.09783 -22.4616 11.6441 -10.4632 9.7302 10.974 TIMING: 1572600 CPU: 4954.75, 0.00311934/step Wall: 4954.75, 0.00311934/step, 2.96978 hours remaining, 238.667969 MB of memory in use. ENERGY: 1572600 4030.6213 20729.2933 14430.9358 227.6069 -202955.2373 2107.3345 0.0000 0.0000 52095.6684 -109333.7770 299.3945 -161429.4454 -108982.3910 300.0748 -113.7550 -83.3664 761462.1145 19.2128 19.0491 PRESSURE: 1572800 -107.103 -143.625 93.7012 -143.624 -283.579 23.2679 93.7014 23.2679 -185.244 GPRESSURE: 1572800 -141.249 -113.385 139.908 -87.0979 -142.197 65.9311 251.712 1.19175 -197.743 PRESSAVG: 1572800 -40.9856 -42.6643 -1.11546 -42.6643 -36.4299 -32.9122 -1.11547 -32.9122 4.50065 GPRESSAVG: 1572800 -41.3567 -44.5628 -2.34348 -42.8785 -35.479 -31.518 -1.90349 -32.2719 4.33915 TIMING: 1572800 CPU: 4955.38, 0.00314575/step Wall: 4955.38, 0.00314575/step, 2.99475 hours remaining, 238.667969 MB of memory in use. ENERGY: 1572800 3984.9704 20608.5892 14472.7501 235.7697 -203205.7713 2331.2963 0.0000 0.0000 52314.1185 -109258.2771 300.6500 -161572.3955 -108894.3993 299.6465 -191.9754 -160.3963 760466.0281 -24.3049 -24.1655 PRESSURE: 1573000 -119.997 -102.572 137.801 -102.572 -5.53059 20.6702 137.8 20.6704 -168.293 GPRESSURE: 1573000 -135.07 -130.418 25.9925 -68.3417 -50.8998 70.6979 146.757 -166.453 -45.0265 PRESSAVG: 1573000 20.024 -36.7814 -5.68565 -36.7814 -15.0207 37.5491 -5.68563 37.549 11.4598 GPRESSAVG: 1573000 20.7343 -39.3057 -4.63602 -35.0795 -16.0116 37.0055 -4.75678 38.2558 11.8078 TIMING: 1573000 CPU: 4956.01, 0.00313565/step Wall: 4956.01, 0.00313565/step, 2.98496 hours remaining, 238.667969 MB of memory in use. ENERGY: 1573000 4005.6340 20630.5692 14481.0945 254.9274 -202890.8673 2422.4165 0.0000 0.0000 51841.3192 -109254.9066 297.9328 -161096.2258 -108894.4514 299.7474 -97.9400 -76.9988 759842.0111 5.4877 5.5102 PRESSURE: 1573200 -126.928 193.599 -63.5695 193.599 -159.727 249.339 -63.5694 249.338 72.9362 GPRESSURE: 1573200 -104.497 253.128 -64.0816 150.258 -65.4581 241.583 -61.604 223.678 36.9601 PRESSAVG: 1573200 14.8492 -11.2646 16.6893 -11.2646 -35.3296 25.374 16.6894 25.374 14.1145 GPRESSAVG: 1573200 14.5336 -8.8494 17.5913 -12.8057 -35.3042 24.6308 15.5722 24.7976 14.045 TIMING: 1573200 CPU: 4956.63, 0.00313665/step Wall: 4956.63, 0.00313665/step, 2.98574 hours remaining, 238.667969 MB of memory in use. ENERGY: 1573200 3906.4946 20648.0732 14461.9300 259.7561 -203135.4539 2264.5519 0.0000 0.0000 52060.3859 -109534.2622 299.1918 -161594.6481 -109158.8517 299.1775 -71.2395 -44.3318 760762.3391 -2.1220 -2.2419 PRESSURE: 1573400 184.334 -29.4161 271.765 -29.4155 -52.4447 -153.576 271.765 -153.576 242.647 GPRESSURE: 1573400 186.314 -59.2901 315.552 38.454 90.7992 -180.431 336.704 -149.44 173.207 PRESSAVG: 1573400 66.4661 -27.4009 32.8532 -27.401 -71.5275 -33.9909 32.8532 -33.9908 -8.61528 GPRESSAVG: 1573400 66.7255 -26.239 32.7988 -29.4461 -71.0342 -32.5722 33.3048 -33.9661 -9.65961 TIMING: 1573400 CPU: 4957.26, 0.00311097/step Wall: 4957.26, 0.00311097/step, 2.96113 hours remaining, 238.667969 MB of memory in use. ENERGY: 1573400 4036.9604 20388.6469 14470.8745 259.7908 -203987.2981 2875.2224 0.0000 0.0000 52260.9970 -109694.8062 300.3447 -161955.8032 -109332.9698 299.1182 124.8454 150.1069 759751.3082 -4.5589 -4.6561 PRESSURE: 1573600 264.175 181.37 -23.9239 181.371 416.541 86.4004 -23.9237 86.4012 -587.498 GPRESSURE: 1573600 298.907 28.1591 -129.628 143.467 400.888 79.9099 10.9701 53.2704 -519.707 PRESSAVG: 1573600 6.24273 8.05149 -37.1089 8.05148 -27.1042 -30.3064 -37.1089 -30.3065 -4.466 GPRESSAVG: 1573600 5.7042 6.67198 -38.1735 7.78784 -27.9293 -31.9725 -38.2875 -30.7041 -3.08384 TIMING: 1573600 CPU: 4957.88, 0.00312438/step Wall: 4957.88, 0.00312438/step, 2.97372 hours remaining, 238.667969 MB of memory in use. ENERGY: 1573600 4032.2634 20361.3827 14443.7512 238.2259 -203441.6055 2589.6277 0.0000 0.0000 52229.4547 -109546.9000 300.1634 -161776.3547 -109172.4892 299.1565 31.0724 60.0293 760297.8450 -8.4425 -8.4363 PRESSURE: 1573800 311.141 -116.94 -109.466 -116.94 -303.028 -127.244 -109.466 -127.245 -4.44325 GPRESSURE: 1573800 286.492 -60.8557 -177.269 -30.2574 -247.897 -124.356 -9.46624 -92.2322 43.9659 PRESSAVG: 1573800 69.8062 -31.6291 -9.51991 -31.629 -45.4971 11.7306 -9.51987 11.7306 -0.331984 GPRESSAVG: 1573800 69.9028 -32.4038 -9.02044 -29.3976 -45.0085 12.6206 -8.09411 12.012 -0.882448 TIMING: 1573800 CPU: 4958.51, 0.00312785/step Wall: 4958.51, 0.00312785/step, 2.97684 hours remaining, 238.667969 MB of memory in use. ENERGY: 1573800 4025.4789 20538.1177 14500.4193 243.1188 -203385.8566 2364.3910 0.0000 0.0000 51830.2897 -109884.0411 297.8694 -161714.3309 -109535.2990 299.0605 1.2234 27.5203 759076.5256 7.9924 8.0039 PRESSURE: 1574000 87.4476 21.6026 -63.2832 21.6031 -110.979 162.127 -63.2834 162.127 -34.4361 GPRESSURE: 1574000 253.04 27.2183 -33.1 -81.1238 -176.984 206.245 34.9508 178.569 -54.5637 PRESSAVG: 1574000 26.7111 3.08846 2.27125 3.08844 -14.7567 35.4236 2.2712 35.4235 11.6318 GPRESSAVG: 1574000 26.5442 2.30375 2.45977 1.63974 -15.2232 34.9909 3.33625 36.1984 11.7393 TIMING: 1574000 CPU: 4959.14, 0.00315088/step Wall: 4959.14, 0.00315088/step, 2.99859 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1574000 3922.0056 20520.6033 14467.5092 229.4443 -203635.7342 2609.0818 0.0000 0.0000 52057.0474 -109830.0424 299.1726 -161887.0899 -109467.4827 298.7059 -19.3224 7.1642 759830.6502 7.8621 7.6868 PRESSURE: 1574200 173.998 33.6911 -194.418 33.6909 -259.905 8.38237 -194.419 8.38228 -167.191 GPRESSURE: 1574200 161.743 -18.5474 -231.787 25.4469 -168.482 -66.109 -160.139 104.893 -151.279 PRESSAVG: 1574200 -31.492 -2.80473 -17.5897 -2.80479 8.82587 11.8439 -17.5897 11.8438 -2.30148 GPRESSAVG: 1574200 -31.4138 -2.46595 -17.7117 -1.41295 9.19817 12.0093 -19.7182 10.751 -2.18517 TIMING: 1574200 CPU: 4959.77, 0.00314605/step Wall: 4959.77, 0.00314605/step, 2.99382 hours remaining, 238.667969 MB of memory in use. ENERGY: 1574200 4009.0082 20535.8418 14501.1904 251.3863 -203741.3842 2645.1760 0.0000 0.0000 51908.6667 -109890.1149 298.3198 -161798.7816 -109530.3815 298.7937 -84.3662 -52.6728 762297.5054 -8.3225 -8.1336 PRESSURE: 1574400 165.136 190.171 -256.692 190.171 -35.4655 149.382 -256.692 149.382 -335.964 GPRESSURE: 1574400 150.341 117.913 -219.55 150.848 50.9278 26.0226 -244.696 12.7272 -307.398 PRESSAVG: 1574400 25.0101 12.4842 -48.7083 12.4842 40.1145 4.73548 -48.7083 4.7355 13.6599 GPRESSAVG: 1574400 25.2566 16.0387 -47.7333 9.36904 39.9832 4.45142 -49.2849 4.72872 14.1206 TIMING: 1574400 CPU: 4960.4, 0.00314782/step Wall: 4960.4, 0.00314782/step, 2.99533 hours remaining, 238.667969 MB of memory in use. ENERGY: 1574400 4032.7209 20482.1650 14495.9993 257.3274 -203793.0402 2793.2468 0.0000 0.0000 51888.0533 -109843.5275 298.2014 -161731.5809 -109475.4512 298.9266 -68.7647 -35.3765 760482.6835 26.2615 26.4535 PRESSURE: 1574600 -24.7171 24.2693 -30.3148 24.2691 111.702 81.6957 -30.3143 81.6962 246.486 GPRESSURE: 1574600 7.20227 47.2565 -57.9284 126.185 137.992 89.3387 56.1981 -40.8743 273.245 PRESSAVG: 1574600 15.3463 -21.8236 -75.8922 -21.8235 16.6204 62.8393 -75.8921 62.8393 5.8919 GPRESSAVG: 1574600 14.9772 -26.1561 -78.4818 -16.8933 18.1088 63.1721 -72.3082 62.7423 4.74814 TIMING: 1574600 CPU: 4961.02, 0.00314536/step Wall: 4961.02, 0.00314536/step, 2.99281 hours remaining, 238.667969 MB of memory in use. ENERGY: 1574600 3983.1453 20497.8138 14406.9181 249.4102 -203783.5580 2775.0450 0.0000 0.0000 51940.6771 -109930.5484 298.5038 -161871.2255 -109566.8841 298.1313 111.1570 139.4798 759853.5620 12.6196 12.6114 PRESSURE: 1574800 -387.065 -5.65433 27.7943 -5.6547 -164.072 -188.034 27.7954 -188.034 -211.391 GPRESSURE: 1574800 -311.671 17.8955 -8.68529 29.6588 -188.945 -64.7003 56.8838 -149.284 -175.612 PRESSAVG: 1574800 9.9867 -35.1019 -48.8407 -35.1019 -76.1954 36.3465 -48.8408 36.3465 26.1298 GPRESSAVG: 1574800 10.6071 -33.3099 -45.8005 -38.6525 -77.7545 37.1117 -53.007 36.8705 27.2711 TIMING: 1574800 CPU: 4961.65, 0.00314541/step Wall: 4961.65, 0.00314541/step, 2.99268 hours remaining, 238.667969 MB of memory in use. ENERGY: 1574800 3951.5277 20678.6213 14439.5849 250.4666 -203433.9523 2271.5556 0.0000 0.0000 52066.0148 -109776.1813 299.2241 -161842.1961 -109414.9064 299.0396 -254.1761 -225.4095 761830.0572 -13.3596 -13.2921 PRESSURE: 1575000 -133.344 48.908 -172.722 48.9074 -131.171 -72.5637 -172.722 -72.5622 -87.6512 GPRESSURE: 1575000 -193.465 171.994 -58.4714 -16.2552 65.4677 -73.0698 -171.74 -34.1014 -147.374 PRESSAVG: 1575000 22.0887 4.01719 16.8889 4.0172 -47.4771 25.0493 16.8889 25.0494 23.5014 GPRESSAVG: 1575000 20.4213 6.03666 14.7506 3.6107 -45.7886 25.4013 17.8838 24.168 22.8284 TIMING: 1575000 CPU: 4962.28, 0.00312717/step Wall: 4962.28, 0.00312717/step, 2.97516 hours remaining, 238.667969 MB of memory in use. ENERGY: 1575000 4012.7918 20584.0957 14545.3264 244.5541 -203519.7167 2702.9063 0.0000 0.0000 51852.4754 -109577.5671 297.9969 -161430.0425 -109216.6524 298.9999 -117.3888 -91.7904 761044.7275 -0.6290 -0.8463 PRESSURE: 1575200 158.562 -155.045 88.8317 -155.046 -187.905 -24.3285 88.832 -24.3282 -327.576 GPRESSURE: 1575200 151.536 -189.096 158.909 -131.898 -123.606 -102.64 -29.1491 52.929 -302.532 PRESSAVG: 1575200 8.14789 -17.8919 -52.8815 -17.8919 22.887 21.4343 -52.8816 21.4343 7.31579 GPRESSAVG: 1575200 8.01384 -20.6971 -51.6525 -16.3492 22.8186 21.2992 -55.6315 22.5861 8.05781 TIMING: 1575200 CPU: 4962.91, 0.00314254/step Wall: 4962.91, 0.00314254/step, 2.98961 hours remaining, 238.667969 MB of memory in use. ENERGY: 1575200 4005.0085 20446.0994 14538.0686 247.0977 -203365.1975 2491.9154 0.0000 0.0000 51941.3072 -109695.7006 298.5074 -161637.0078 -109324.0629 298.9958 -118.9732 -91.5342 761297.2557 12.7836 12.9634 PRESSURE: 1575400 -365.071 -230.467 -80.6669 -230.466 263.06 -208.241 -80.6658 -208.241 -310.288 GPRESSURE: 1575400 -216.312 -147.389 -68.303 -166.991 207.342 -263.139 -69.2361 -71.0365 -336.009 PRESSAVG: 1575400 -9.6365 -21.5962 -22.0263 -21.5962 12.2237 16.1979 -22.0263 16.1979 3.71868 GPRESSAVG: 1575400 -8.71459 -20.4893 -22.8843 -21.2352 11.4439 16.2586 -19.753 16.9249 3.13781 TIMING: 1575400 CPU: 4963.53, 0.0031283/step Wall: 4963.53, 0.0031283/step, 2.97589 hours remaining, 238.667969 MB of memory in use. ENERGY: 1575400 3980.4566 20500.0038 14472.6096 239.0219 -203661.5555 2687.1943 0.0000 0.0000 52071.3024 -109710.9668 299.2545 -161782.2691 -109349.8886 298.4913 -137.4333 -114.9931 761587.7072 2.1020 1.9557 PRESSURE: 1575600 -84.7744 31.8022 15.2634 31.8017 -23.0067 73.8384 15.2617 73.839 -492.311 GPRESSURE: 1575600 -70.1441 -57.8667 -67.7717 -2.01754 -12.4221 65.2614 43.1168 63.0873 -422.062 PRESSAVG: 1575600 22.8663 -33.1733 -15.2675 -33.1732 -6.78226 25.2849 -15.2676 25.2849 -13.6692 GPRESSAVG: 1575600 22.8968 -33.3852 -14.5604 -34.9821 -5.93198 24.6052 -15.4301 24.1404 -14.493 TIMING: 1575600 CPU: 4964.16, 0.00314018/step Wall: 4964.16, 0.00314018/step, 2.98701 hours remaining, 238.667969 MB of memory in use. ENERGY: 1575600 4037.3223 20185.4904 14419.2612 243.7967 -203607.9451 2509.3139 0.0000 0.0000 52333.0736 -109879.6871 300.7589 -162212.7606 -109503.8671 298.6948 -200.0306 -168.2093 760678.3740 0.8049 0.8239 PRESSURE: 1575800 -410.33 -141.975 -51.6498 -141.975 -31.3671 177.868 -51.6499 177.868 -455.664 GPRESSURE: 1575800 -212.326 -156.636 -5.61635 -24.7605 -97.9674 156.141 -93.0505 139.603 -473.148 PRESSAVG: 1575800 21.0162 -45.8568 11.7763 -45.8568 38.2695 46.1449 11.7764 46.1448 -0.562011 GPRESSAVG: 1575800 20.9421 -43.3574 10.2712 -44.6688 37.5486 45.5302 12.7501 46.6983 0.256995 TIMING: 1575800 CPU: 4964.79, 0.00313375/step Wall: 4964.79, 0.00313375/step, 2.98072 hours remaining, 238.667969 MB of memory in use. ENERGY: 1575800 3967.9199 20337.2942 14501.4180 238.1774 -203246.5302 2419.4076 0.0000 0.0000 51872.1693 -109910.1439 298.1101 -161782.3132 -109553.0348 298.5822 -299.1206 -261.1471 760953.0783 19.5746 19.5826 PRESSURE: 1576000 184.684 3.60341 48.8759 3.60351 122.833 -70.4426 48.8758 -70.4424 69.9513 GPRESSURE: 1576000 244.407 -96.072 32.6776 87.6121 102.051 -71.0466 116.161 -22.6954 116.481 PRESSAVG: 1576000 44.0596 -23.9885 -0.889266 -23.9886 -12.7651 38.4147 -0.88932 38.4147 8.20752 GPRESSAVG: 1576000 43.9692 -26.2652 -0.133628 -25.2753 -13.5176 38.2063 -0.645229 37.8508 9.08058 TIMING: 1576000 CPU: 4965.42, 0.00314435/step Wall: 4965.42, 0.00314435/step, 2.99062 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1576000 4015.1386 20254.6335 14477.8485 251.2366 -203626.1676 2798.9223 0.0000 0.0000 52058.7452 -109769.6428 299.1823 -161828.3880 -109403.8770 298.3065 125.8230 154.3131 760463.9566 13.1673 13.1774 PRESSURE: 1576200 24.3849 134.004 -14.4442 134.004 -40.5203 104.417 -14.4438 104.418 189.241 GPRESSURE: 1576200 120.891 -50.3531 -77.4924 96.8505 -61.7206 126.638 -44.2074 257.52 188.942 PRESSAVG: 1576200 58.1816 -47.7038 43.2861 -47.7038 -62.5938 -49.6157 43.2861 -49.6156 17.7178 GPRESSAVG: 1576200 57.0308 -47.4295 44.3923 -48.3987 -61.3275 -48.1533 42.8475 -49.1284 16.8343 TIMING: 1576200 CPU: 4966.05, 0.00314943/step Wall: 4966.05, 0.00314943/step, 2.99529 hours remaining, 238.667969 MB of memory in use. ENERGY: 1576200 4002.9645 20411.9340 14435.8440 242.1235 -204015.2402 2986.4336 0.0000 0.0000 52122.7244 -109813.2163 299.5500 -161935.9407 -109459.1314 298.3504 57.7019 82.7042 760744.3389 4.4352 4.1792 LDB: ============= START OF LOAD BALANCING ============== 4978.45 LDB: ============== END OF LOAD BALANCING =============== 4978.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4978.45 LDB: ============= START OF LOAD BALANCING ============== 4978.76 LDB: Largest compute 7034 load 0.032498 is 16.6% of average load 0.196099 LDB: Average compute 0.004371 is 2.2% of average load 0.196099 LDB: TIME 4978.77 LOAD: AVG 0.196099 MAX 0.214904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.238 MB LDB: TIME 4978.77 LOAD: AVG 0.196099 MAX 0.214904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.309 MB LDB: TIME 4978.77 LOAD: AVG 0.196099 MAX 0.214904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.309 MB LDB: ============== END OF LOAD BALANCING =============== 4978.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4978.77 PRESSURE: 1576400 -227.112 -96.9154 -272.26 -96.9142 -175.648 43.0492 -272.261 43.0492 -86.0499 GPRESSURE: 1576400 -166.315 -156.081 -147.425 -83.9221 -138.663 53.1407 -141.215 6.30492 -97.06 PRESSAVG: 1576400 7.12213 17.3165 35.3159 17.3164 -15.0226 6.97333 35.3159 6.9733 -8.89162 GPRESSAVG: 1576400 7.43913 17.356 34.735 20.11 -15.1432 6.91616 34.2592 6.53098 -9.11619 TIMING: 1576400 CPU: 4966.69, 0.00321473/step Wall: 4966.69, 0.00321473/step, 3.05721 hours remaining, 240.261719 MB of memory in use. ENERGY: 1576400 3951.6598 20338.2475 14423.0030 229.9293 -203129.0319 2335.5961 0.0000 0.0000 52012.8590 -109837.7372 298.9186 -161850.5962 -109475.8207 298.3825 -162.9364 -134.0127 763298.7982 -5.5974 -5.6067 PRESSURE: 1576600 -158.929 37.4832 -40.7718 37.4833 47.7864 108.314 -40.7715 108.313 -132.337 GPRESSURE: 1576600 -213.432 87.3308 10.0501 -0.968797 99.749 63.2003 -60.3896 183.541 -38.8633 PRESSAVG: 1576600 -11.2778 -14.7383 33.3617 -14.7383 13.7943 15.1889 33.3617 15.1889 8.65781 GPRESSAVG: 1576600 -11.6528 -13.9931 32.1853 -16.5955 12.7975 14.7354 33.5525 17.0682 9.73018 TIMING: 1576600 CPU: 4967.32, 0.00314756/step Wall: 4967.32, 0.00314756/step, 2.99315 hours remaining, 240.464844 MB of memory in use. ENERGY: 1576600 4013.0100 20536.4968 14478.9467 247.9154 -203428.2896 2617.2349 0.0000 0.0000 51755.7284 -109778.9575 297.4409 -161534.6859 -109422.2304 298.4611 -81.1597 -50.8489 762125.1166 3.7248 3.6250 PRESSURE: 1576800 84.3084 40.9951 7.90667 40.995 358.025 181.51 7.90675 181.511 245.796 GPRESSURE: 1576800 97.5196 40.6804 24.7314 140.525 439.191 213.531 112.95 248.521 250.365 PRESSAVG: 1576800 -67.622 -0.528598 41.0209 -0.528602 31.9073 -16.4354 41.0209 -16.4355 -16.1937 GPRESSAVG: 1576800 -67.0179 -1.54693 42.2535 -0.966001 32.8268 -16.7426 41.5856 -17.6866 -17.6923 TIMING: 1576800 CPU: 4967.95, 0.0031438/step Wall: 4967.95, 0.0031438/step, 2.98941 hours remaining, 240.464844 MB of memory in use. ENERGY: 1576800 3984.8075 20508.5876 14415.4916 265.6611 -203257.4336 2459.0667 0.0000 0.0000 51995.9876 -109627.8314 298.8217 -161623.8191 -109275.1939 298.0284 229.3764 262.3586 761259.4841 -17.3028 -17.2945 PRESSURE: 1577000 -118.194 -53.521 56.8688 -53.5209 43.9063 71.7245 56.8695 71.7236 90.2318 GPRESSURE: 1577000 -78.6334 48.6144 -60.2155 -143.688 23.4986 -54.3845 137.069 188.893 153.533 PRESSAVG: 1577000 -32.4453 29.2302 -34.708 29.2301 26.7012 -35.3535 -34.708 -35.3535 0.535412 GPRESSAVG: 1577000 -33.733 31.2749 -36.1521 28.8279 25.8139 -35.4036 -34.0319 -35.4382 1.98619 TIMING: 1577000 CPU: 4968.58, 0.0031649/step Wall: 4968.58, 0.0031649/step, 3.00929 hours remaining, 240.464844 MB of memory in use. ENERGY: 1577000 3920.2182 20546.3282 14450.7105 258.4947 -203687.7226 2741.8089 0.0000 0.0000 52125.6614 -109644.5007 299.5669 -161770.1622 -109290.0750 298.7333 5.3146 32.7994 761472.7469 -1.7362 -1.9776 PRESSURE: 1577200 -124.376 125.001 -230.296 125.001 -149.085 -55.8316 -230.295 -55.8311 -275.468 GPRESSURE: 1577200 -214.873 40.4769 -207.131 60.7164 -18.2725 -103.458 -299.456 -121.6 -245.394 PRESSAVG: 1577200 -4.90886 24.968 -80.0426 24.9681 9.59994 -54.605 -80.0425 -54.605 12.9668 GPRESSAVG: 1577200 -5.43322 23.6191 -77.4622 26.3851 10.5402 -54.2993 -82.0847 -55.9374 12.6413 TIMING: 1577200 CPU: 4969.21, 0.00313489/step Wall: 4969.21, 0.00313489/step, 2.98058 hours remaining, 240.464844 MB of memory in use. ENERGY: 1577200 3984.6248 20576.7469 14479.3386 245.0625 -203430.0764 2459.0942 0.0000 0.0000 52121.8187 -109563.3908 299.5448 -161685.2094 -109198.7130 299.1344 -182.9762 -159.5133 761432.3582 5.8859 5.9161 PRESSURE: 1577400 -109.522 -11.9743 -374.301 -11.9748 87.7052 26.5106 -374.3 26.5115 -462.717 GPRESSURE: 1577400 -31.3575 -0.701394 -437.705 -55.6273 149.18 119.997 -275.334 72.5705 -503.88 PRESSAVG: 1577400 -1.96134 -3.79322 -49.2389 -3.79323 -10.9816 -75.7098 -49.2389 -75.7097 -3.36234 GPRESSAVG: 1577400 -1.81246 -3.65669 -50.9374 -5.94851 -10.9255 -76.2515 -48.5397 -76.649 -3.54254 TIMING: 1577400 CPU: 4969.83, 0.0031295/step Wall: 4969.83, 0.0031295/step, 2.97528 hours remaining, 240.464844 MB of memory in use. ENERGY: 1577400 3997.5164 20467.9185 14388.8964 230.7989 -203551.7092 2571.6633 0.0000 0.0000 52256.3200 -109638.5956 300.3178 -161894.9157 -109273.1798 298.9114 -161.5112 -128.6857 761821.1229 -5.4351 -5.4268 PRESSURE: 1577600 144.947 81.4278 -14.6295 81.4282 410.304 -74.8644 -14.629 -74.8655 97.6322 GPRESSURE: 1577600 236.697 84.3433 -34.4573 58.3658 405.565 -38.5776 37.599 -34.0134 102.243 PRESSAVG: 1577600 4.52474 23.6893 -10.8583 23.6892 4.11114 -39.8395 -10.8582 -39.8395 20.1285 GPRESSAVG: 1577600 5.72899 22.9956 -10.6531 25.4543 3.35008 -41.7449 -11.0446 -37.8744 19.9207 TIMING: 1577600 CPU: 4970.46, 0.00313769/step Wall: 4970.46, 0.00313769/step, 2.9829 hours remaining, 240.464844 MB of memory in use. ENERGY: 1577600 4006.0334 20460.7455 14477.7461 240.0428 -203247.4950 2441.2765 0.0000 0.0000 51940.8488 -109680.8020 298.5048 -161621.6507 -109321.4931 299.2930 217.6278 248.1683 760037.1028 9.5881 9.6666 PRESSURE: 1577800 -158.078 133.878 -233.451 133.879 -191.198 18.0412 -233.452 18.0413 -163.862 GPRESSURE: 1577800 -98.2475 -8.2641 -95.0241 303.423 -114.485 59.7755 -105.356 -36.6543 -195.376 PRESSAVG: 1577800 -12.7957 32.3387 -56.074 32.3387 -1.68143 49.7458 -56.0739 49.7459 -5.98051 GPRESSAVG: 1577800 -12.3112 31.3028 -54.4821 33.6638 0.0646625 52.8208 -55.3218 47.9249 -7.52456 TIMING: 1577800 CPU: 4971.09, 0.00313857/step Wall: 4971.09, 0.00313857/step, 2.98356 hours remaining, 240.464844 MB of memory in use. ENERGY: 1577800 3955.7668 20632.1510 14533.1268 246.8015 -203525.3749 2491.4972 0.0000 0.0000 52076.3765 -109589.6551 299.2837 -161666.0315 -109224.6223 299.6619 -171.0462 -136.0360 760630.5963 -6.8192 -6.5904 PRESSURE: 1578000 228.578 -262.423 -23.9556 -262.423 -42.5386 9.25522 -23.9557 9.25579 172.439 GPRESSURE: 1578000 356.37 -199.136 -122.731 -183.327 -1.4966 17.2416 -91.8256 -12.1253 104.021 PRESSAVG: 1578000 -30.877 28.8544 -59.0861 28.8543 24.8368 -25.0654 -59.0861 -25.0654 1.14581 GPRESSAVG: 1578000 -31.0146 30.7447 -62.2335 27.0485 24.0175 -27.0142 -59.0296 -22.9183 2.54456 TIMING: 1578000 CPU: 4971.72, 0.0031562/step Wall: 4971.72, 0.0031562/step, 3.00014 hours remaining, 240.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1578000 4073.0753 20460.2677 14483.4344 268.2293 -203707.6463 2753.4997 0.0000 0.0000 52251.1888 -109417.9510 300.2883 -161669.1398 -109064.6485 299.4908 119.4929 152.9648 760343.5146 -1.6315 -1.4842 PRESSURE: 1578200 143.408 94.7838 171.773 94.7832 -38.8182 8.9589 171.773 8.96022 453.795 GPRESSURE: 1578200 262.786 -9.96553 145.973 45.2054 -64.1136 43.5794 118.162 -72.8726 439.691 PRESSAVG: 1578200 27.0614 24.3695 -19.5059 24.3695 -48.7677 -8.31625 -19.5059 -8.31626 11.5191 GPRESSAVG: 1578200 27.5879 23.6997 -18.5272 24.9717 -48.889 -6.71711 -21.5028 -8.05424 11.0849 TIMING: 1578200 CPU: 4972.35, 0.00316767/step Wall: 4972.35, 0.00316767/step, 3.01087 hours remaining, 240.464844 MB of memory in use. ENERGY: 1578200 4025.1292 20480.8636 14399.6907 249.7167 -203359.8775 2540.4653 0.0000 0.0000 52355.8849 -109308.1272 300.8900 -161664.0121 -108941.2339 300.1014 186.1285 212.7879 760701.8142 -3.3957 -3.4054 PRESSURE: 1578400 130.598 -4.90604 -37.8278 -4.90523 -229.983 -18.1944 -37.8277 -18.1938 -30.6695 GPRESSURE: 1578400 117.423 128.181 -157.265 -85.4817 -196.174 16.1613 -40.8796 -75.1793 16.9376 PRESSAVG: 1578400 54.8445 38.2768 -9.60063 38.2768 -29.0413 -14.8921 -9.60056 -14.8921 8.62202 GPRESSAVG: 1578400 53.5775 36.7 -10.2805 38.2734 -30.0925 -14.7582 -7.35084 -16.9979 10.779 TIMING: 1578400 CPU: 4972.99, 0.00316168/step Wall: 4972.99, 0.00316168/step, 3.005 hours remaining, 240.464844 MB of memory in use. ENERGY: 1578400 3955.2916 20581.8828 14455.1875 230.8416 -203090.3767 2477.3435 0.0000 0.0000 52237.3246 -109152.5052 300.2086 -161389.8297 -108788.5624 299.6978 -43.3514 -20.6043 761795.5337 11.4751 11.4214 PRESSURE: 1578600 -219.739 59.7418 28.2075 59.7413 69.9884 -86.1765 28.2081 -86.1767 -209.534 GPRESSURE: 1578600 -247.362 79.1478 -11.1076 6.70108 205.998 -248.552 -103.523 -55.9214 -242.766 PRESSAVG: 1578600 -3.25938 1.70394 23.028 1.70387 -18.4897 -72.1158 23.028 -72.1158 -12.8444 GPRESSAVG: 1578600 -2.91195 2.40462 23.456 0.427463 -17.9693 -72.8494 23.0302 -70.4319 -14.4414 TIMING: 1578600 CPU: 4973.62, 0.00316658/step Wall: 4973.62, 0.00316658/step, 3.00948 hours remaining, 240.464844 MB of memory in use. ENERGY: 1578600 4061.8993 20751.6087 14463.3431 249.9998 -203208.3892 2445.6235 0.0000 0.0000 52051.7023 -109184.2125 299.1418 -161235.9147 -108825.6047 300.0474 -119.7617 -94.7098 762749.5684 -11.5311 -11.7742 PRESSURE: 1578800 54.8052 -3.11449 110.5 -3.11464 -183.542 -59.4699 110.5 -59.4701 347.542 GPRESSURE: 1578800 52.3224 53.6503 143.213 24.3349 -183.441 -86.5487 17.8728 -129.079 443.454 PRESSAVG: 1578800 73.0372 -5.10953 -62.1514 -5.10949 -84.8148 -31.958 -62.1514 -31.958 -15 GPRESSAVG: 1578800 72.5395 -5.45478 -62.5769 -4.7032 -84.3286 -32.4376 -61.2849 -35.6613 -14.4583 TIMING: 1578800 CPU: 4974.25, 0.00317174/step Wall: 4974.25, 0.00317174/step, 3.01421 hours remaining, 240.464844 MB of memory in use. ENERGY: 1578800 3954.7799 20669.2570 14504.6122 241.9896 -203373.2241 2607.2356 0.0000 0.0000 52292.6229 -109102.7269 300.5264 -161395.3498 -108742.0922 300.1765 72.9350 104.1118 761840.3011 -8.9259 -8.7491 PRESSURE: 1579000 -180.574 -73.3023 101.678 -73.3027 75.2265 -187.366 101.678 -187.367 -197.154 GPRESSURE: 1579000 -109.818 -150.221 70.2266 57.1583 89.6451 -275.213 147.423 -150.072 -191.089 PRESSAVG: 1579000 -7.64355 16.9336 2.2174 16.9336 3.22946 -29.8149 2.21733 -29.8149 -16.2165 GPRESSAVG: 1579000 -6.29077 17.0101 3.17913 17.6216 1.98131 -30.9607 1.87333 -26.7117 -16.6337 TIMING: 1579000 CPU: 4974.89, 0.00315579/step Wall: 4974.89, 0.0031558/step, 2.99888 hours remaining, 240.464844 MB of memory in use. ENERGY: 1579000 4049.9931 20638.4559 14461.8719 240.3494 -203527.0406 2687.0857 0.0000 0.0000 51986.5183 -109462.7664 298.7672 -161449.2847 -109092.3268 299.9451 -100.8340 -70.4206 762887.9367 -6.8769 -6.9811 PRESSURE: 1579200 108.102 -153.267 -16.7163 -153.267 -22.7334 -154.444 -16.7169 -154.445 223.308 GPRESSURE: 1579200 147.031 -61.702 -89.033 -164.335 -30.0373 -54.3239 36.4892 -87.9092 274.048 PRESSAVG: 1579200 36.6917 -47.2896 10.1444 -47.2896 19.9181 -70.367 10.1444 -70.367 -34.2186 GPRESSAVG: 1579200 37.4354 -46.8741 9.34213 -46.2575 19.3725 -69.189 10.5165 -68.5555 -33.8268 TIMING: 1579200 CPU: 4975.52, 0.00316444/step Wall: 4975.52, 0.00316444/step, 3.00692 hours remaining, 240.464844 MB of memory in use. ENERGY: 1579200 4003.6021 20517.7047 14551.8442 227.3743 -203780.6210 2868.0252 0.0000 0.0000 52003.5015 -109608.5689 298.8648 -161612.0704 -109258.4384 298.6286 102.8922 130.3472 761767.1727 7.4637 7.6604 PRESSURE: 1579400 -4.482 22.1093 10.978 22.1088 161.301 104.322 10.9781 104.322 -244.16 GPRESSURE: 1579400 37.6764 106.155 105.216 -22.0447 234.29 97.2763 -132.143 84.1673 -287.255 PRESSAVG: 1579400 -20.2095 -44.4795 34.6632 -44.4795 12.2815 -72.1305 34.6631 -72.1305 -13.8704 GPRESSAVG: 1579400 -22.494 -45.948 34.5416 -44.5982 14.0023 -70.7665 35.6039 -75.0528 -13.8666 TIMING: 1579400 CPU: 4976.15, 0.00317415/step Wall: 4976.15, 0.00317415/step, 3.01597 hours remaining, 240.464844 MB of memory in use. ENERGY: 1579400 4054.3593 20475.5712 14486.7813 240.8477 -203781.3592 2814.5389 0.0000 0.0000 52090.1963 -109619.0644 299.3631 -161709.2607 -109258.2656 299.1512 -29.1137 -5.0961 762750.6167 -7.2661 -7.4528 PRESSURE: 1579600 57.161 -137.749 -28.1286 -137.749 43.7157 -151.81 -28.1297 -151.811 182.765 GPRESSURE: 1579600 90.4516 -39.527 99.4502 -248.108 40.6305 -104.932 -83.3461 -231.354 230.924 PRESSAVG: 1579600 23.8209 -21.3194 -1.00013 -21.3195 -34.3395 -50.0397 -1.00016 -50.0397 -15.7283 GPRESSAVG: 1579600 25.2594 -18.5492 -1.8914 -23.5409 -34.6111 -51.6389 -1.88929 -50.7209 -16.9235 TIMING: 1579600 CPU: 4976.78, 0.00315898/step Wall: 4976.78, 0.00315898/step, 3.00138 hours remaining, 240.464844 MB of memory in use. ENERGY: 1579600 3930.1467 20520.9288 14512.2907 261.5133 -203494.0132 2767.0510 0.0000 0.0000 52038.3266 -109463.7560 299.0650 -161502.0826 -109101.2926 299.3146 94.5473 120.6686 761889.6819 -8.7490 -8.7584 PRESSURE: 1579800 -104.782 14.2754 61.8596 14.2753 -8.67826 -33.9509 61.8589 -33.9512 16.3461 GPRESSURE: 1579800 1.15915 38.9226 81.0318 97.6208 -74.1669 12.7657 86.8838 199.608 53.6573 PRESSAVG: 1579800 48.7304 -12.6431 -32.4001 -12.6431 -60.3039 -6.17881 -32.4001 -6.17874 4.08693 GPRESSAVG: 1579800 49.0916 -12.2621 -32.0094 -10.7272 -61.3991 -6.37867 -32.7105 -3.02236 4.56585 TIMING: 1579800 CPU: 4977.41, 0.00314652/step Wall: 4977.41, 0.00314652/step, 2.98937 hours remaining, 240.464844 MB of memory in use. ENERGY: 1579800 3981.2667 20515.3326 14493.1599 255.9924 -203063.0292 2355.6755 0.0000 0.0000 52060.1798 -109401.4222 299.1906 -161461.6021 -109031.8314 299.4165 -32.3713 -6.4502 760399.3702 -2.4955 -2.5806 PRESSURE: 1580000 351.923 -94.4655 -126.599 -94.4654 -190.749 154.366 -126.6 154.367 36.4156 GPRESSURE: 1580000 236.417 -115.242 -41.0159 -96.9621 -41.3473 42.6942 -174.844 156.34 67.993 PRESSAVG: 1580000 43.5531 -26.0598 -25.3299 -26.0598 -15.0568 44.3271 -25.3299 44.3272 -12.8095 GPRESSAVG: 1580000 40.8007 -27.822 -24.4716 -25.5869 -12.9442 43.8976 -25.3315 43.8829 -12.4104 TIMING: 1580000 CPU: 4978.05, 0.00315761/step Wall: 4978.05, 0.00315761/step, 2.99972 hours remaining, 240.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1580000 3960.5595 20719.8550 14532.4670 234.8930 -203748.7705 2661.7141 0.0000 0.0000 51992.5666 -109646.7152 298.8020 -161639.2818 -109296.9193 299.4611 65.8632 87.6877 760719.6616 5.2289 5.1487 PRESSURE: 1580200 -390.198 -63.1517 58.0178 -63.1502 -174.464 65.4172 58.0176 65.4164 -288.167 GPRESSURE: 1580200 -342.118 27.2243 16.3438 -43.4463 -138.581 114.612 4.66758 38.9735 -282.837 PRESSAVG: 1580200 -17.5661 -4.67897 27.6414 -4.67911 -5.13716 18.7747 27.6414 18.7746 -9.19542 GPRESSAVG: 1580200 -16.5624 -2.95528 27.6818 -5.51789 -5.71835 19.0788 26.3364 17.9431 -9.37797 TIMING: 1580200 CPU: 4978.67, 0.00314691/step Wall: 4978.67, 0.00314691/step, 2.98939 hours remaining, 240.464844 MB of memory in use. ENERGY: 1580200 4024.6350 20548.4792 14523.9008 251.8893 -203478.3809 2400.2028 0.0000 0.0000 52091.0324 -109638.2414 299.3679 -161729.2739 -109281.5482 298.5145 -284.2762 -254.5121 760761.9761 -10.6329 -10.5529 LDB: ============= START OF LOAD BALANCING ============== 4991.08 LDB: ============== END OF LOAD BALANCING =============== 4991.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4991.08 LDB: ============= START OF LOAD BALANCING ============== 4991.4 LDB: Largest compute 7062 load 0.032230 is 16.4% of average load 0.195983 LDB: Average compute 0.004404 is 2.2% of average load 0.195983 LDB: TIME 4991.4 LOAD: AVG 0.195983 MAX 0.21402 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.125 MB LDB: TIME 4991.4 LOAD: AVG 0.195983 MAX 0.21402 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 4991.4 LOAD: AVG 0.195983 MAX 0.21402 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 4991.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4991.41 PRESSURE: 1580400 248.704 -165.727 -210.087 -165.727 64.4114 139.056 -210.087 139.056 -273.398 GPRESSURE: 1580400 247.189 -114.09 -226.317 -19.9261 40.2546 45.4952 -194.226 73.5003 -143.868 PRESSAVG: 1580400 41.009 -8.33043 -51.175 -8.33041 -25.7184 16.1624 -51.175 16.1624 10.0954 GPRESSAVG: 1580400 42.2368 -10.72 -52.8026 -7.51432 -26.885 16.905 -48.5413 17.7945 10.4108 TIMING: 1580400 CPU: 4979.32, 0.00324387/step Wall: 4979.32, 0.00324387/step, 3.08132 hours remaining, 239.691406 MB of memory in use. ENERGY: 1580400 4086.6853 20411.2743 14445.2763 259.5132 -203790.9188 2571.1681 0.0000 0.0000 52244.6877 -109772.3139 300.2509 -162017.0016 -109398.4774 298.8086 13.2390 47.8587 759913.3934 8.4620 8.5875 PRESSURE: 1580600 113.099 9.24237 111.638 9.24164 21.6885 -186.9 111.639 -186.9 -187.581 GPRESSURE: 1580600 131.339 22.7323 104.965 -26.7094 62.0041 -127.845 11.2493 -256.438 -143.424 PRESSAVG: 1580600 69.8526 -34.2571 -34.3197 -34.2571 -36.0768 24.3411 -34.3198 24.3411 18.8455 GPRESSAVG: 1580600 69.7767 -33.8295 -32.2219 -34.1977 -35.923 22.7605 -35.9525 22.5254 18.9751 TIMING: 1580600 CPU: 4979.96, 0.00315788/step Wall: 4979.96, 0.00315788/step, 2.99946 hours remaining, 239.691406 MB of memory in use. ENERGY: 1580600 4035.3225 20579.7459 14439.3176 237.4419 -203797.5443 2740.9844 0.0000 0.0000 51742.8373 -110021.8947 297.3668 -161764.7320 -109664.8251 298.5034 -17.5981 16.6397 759783.7711 17.5405 17.6096 PRESSURE: 1580800 181.66 205.513 -143.767 205.512 -220.346 224.336 -143.767 224.336 -89.1345 GPRESSURE: 1580800 194.805 82.7279 -152.731 113.344 -212.814 192.437 -177.154 221.158 -42.976 PRESSAVG: 1580800 28.2123 -16.431 -46.1938 -16.4311 -5.76072 30.976 -46.1938 30.976 -7.93531 GPRESSAVG: 1580800 27.2676 -17.0402 -46.9625 -17.9002 -4.62809 34.0092 -46.5126 30.6109 -8.5838 TIMING: 1580800 CPU: 4980.59, 0.00315321/step Wall: 4980.59, 0.00315321/step, 2.99485 hours remaining, 239.691406 MB of memory in use. ENERGY: 1580800 3957.6557 20445.8319 14468.8295 277.8705 -203908.0585 2626.6150 0.0000 0.0000 52176.4631 -109954.7927 299.8589 -162131.2558 -109589.5047 298.4420 -42.6068 -20.3283 761090.9071 4.8387 4.6852 PRESSURE: 1581000 284.924 -36.0994 -75.4066 -36.1 3.94002 -158.481 -75.406 -158.48 -165.994 GPRESSURE: 1581000 238.847 -106.176 -126.826 -11.7531 77.9026 -91.474 -69.1491 -216.514 -120.438 PRESSAVG: 1581000 61.005 16.79 -33.0272 16.79 -48.7085 -19.9506 -33.0272 -19.9505 5.16669 GPRESSAVG: 1581000 60.6009 16.3388 -32.649 17.5806 -48.4458 -21.3043 -31.8222 -20.2449 5.59139 TIMING: 1581000 CPU: 4981.21, 0.00314049/step Wall: 4981.21, 0.00314049/step, 2.9826 hours remaining, 239.691406 MB of memory in use. ENERGY: 1581000 3978.8913 20535.4822 14429.9085 251.8579 -203596.9909 2599.5222 0.0000 0.0000 51737.3767 -110063.9521 297.3354 -161801.3288 -109697.0066 298.2856 40.9567 65.4374 760719.6112 5.8211 5.9155 PRESSURE: 1581200 34.5129 -292.931 57.2933 -292.931 82.9697 -37.547 57.294 -37.5473 152.622 GPRESSURE: 1581200 103.076 -115.594 198.468 -165.233 184.606 -67.5795 15.6962 -79.003 49.7243 PRESSAVG: 1581200 -17.093 -11.177 -18.2231 -11.1771 57.315 -18.2207 -18.2231 -18.2207 -20.0494 GPRESSAVG: 1581200 -16.6781 -9.39454 -18.1878 -10.1423 57.8569 -18.7744 -18.0204 -16.5266 -20.352 TIMING: 1581200 CPU: 4981.84, 0.00314002/step Wall: 4981.84, 0.00314003/step, 2.98198 hours remaining, 239.691406 MB of memory in use. ENERGY: 1581200 3997.4180 20598.2828 14486.0716 221.8344 -203578.4358 2726.1516 0.0000 0.0000 51670.8991 -109877.7783 296.9534 -161548.6774 -109519.0543 298.3728 90.0350 112.4686 761463.1284 6.7242 6.9423 PRESSURE: 1581400 -143.077 -75.1954 -260.603 -75.1946 65.8235 225.04 -260.603 225.04 68.7074 GPRESSURE: 1581400 -154.032 -116.396 -144.341 -85.4812 147.695 155.455 -297.924 141.048 70.2739 PRESSAVG: 1581400 -25.1891 -28.2309 -24.9669 -28.2309 42.1353 -10.3712 -24.9668 -10.371 -17.2368 GPRESSAVG: 1581400 -24.5395 -27.801 -23.955 -28.668 41.7857 -9.87478 -26.2416 -10.7335 -17.4245 TIMING: 1581400 CPU: 4982.47, 0.00314557/step Wall: 4982.47, 0.00314556/step, 2.98706 hours remaining, 239.691406 MB of memory in use. ENERGY: 1581400 3992.7222 20662.1653 14518.8827 234.0014 -203801.3932 2790.1932 0.0000 0.0000 51818.4109 -109785.0173 297.8011 -161603.4282 -109417.3708 298.4448 -2.8488 21.3122 760448.1116 -0.0969 -0.0594 PRESSURE: 1581600 308.063 -328.867 -1.71395 -328.867 -84.4956 -176.615 -1.71421 -176.615 -411.291 GPRESSURE: 1581600 202.316 -380.622 5.5794 -328.356 63.088 -137.397 52.0635 -106.277 -379.025 PRESSAVG: 1581600 -48.0076 -20.0939 2.27143 -20.0939 21.2627 -14.0054 2.27147 -14.0054 -6.24683 GPRESSAVG: 1581600 -49.8981 -20.4267 0.904804 -21.9981 22.3623 -13.7105 1.44911 -14.2543 -5.58908 TIMING: 1581600 CPU: 4983.11, 0.00318096/step Wall: 4983.11, 0.00318096/step, 3.0205 hours remaining, 239.691406 MB of memory in use. ENERGY: 1581600 4068.2305 20645.6646 14557.5517 220.4085 -203814.7939 2695.9518 0.0000 0.0000 51628.7684 -109998.2184 296.7112 -161626.9868 -109646.8200 298.2918 -62.5747 -37.8736 759325.7208 -10.9972 -11.0416 PRESSURE: 1581800 39.2606 78.409 18.6147 78.4091 335.799 114.465 18.6142 114.464 -46.4444 GPRESSURE: 1581800 81.0419 52.367 19.4018 24.6844 285.507 278.063 3.22687 -53.9784 43.6873 PRESSAVG: 1581800 -34.1273 -13.9337 -21.5735 -13.9336 16.9445 -46.6165 -21.5735 -46.6164 -7.51958 GPRESSAVG: 1581800 -32.1806 -14.4903 -21.4557 -13.3186 14.3783 -45.9931 -22.96 -47.9731 -6.93262 TIMING: 1581800 CPU: 4983.74, 0.00315065/step Wall: 4983.74, 0.00315065/step, 2.99155 hours remaining, 239.691406 MB of memory in use. ENERGY: 1581800 3976.1992 20552.3495 14517.2516 257.5914 -203651.3730 2577.6744 0.0000 0.0000 51688.9323 -110081.3746 297.0570 -161770.3069 -109726.7376 297.9530 109.5385 136.7455 760243.7344 -8.2341 -8.2450 PRESSURE: 1582000 -57.7287 -158.694 -187.752 -158.694 -16.7685 -257.956 -187.752 -257.957 128.772 GPRESSURE: 1582000 -101.953 -162.082 -87.9122 -82.595 75.1323 -147.625 -77.7499 -213.993 164.883 PRESSAVG: 1582000 -22.7796 3.70446 -19.2587 3.70445 -14.4612 1.33856 -19.2586 1.33857 16.3005 GPRESSAVG: 1582000 -23.2357 4.78836 -17.8718 5.40797 -12.8773 0.202437 -16.305 3.46191 14.9357 TIMING: 1582000 CPU: 4984.37, 0.00314736/step Wall: 4984.37, 0.00314736/step, 2.98824 hours remaining, 239.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1582000 4022.5943 20614.5918 14412.4780 247.0988 -203749.1496 2659.2500 0.0000 0.0000 51994.1415 -109798.9952 298.8110 -161793.1366 -109441.6951 298.7104 18.0915 46.0206 759282.2716 -6.9801 -7.0591 PRESSURE: 1582200 -134.89 74.9031 -62.7651 74.9032 268.357 67.2012 -62.765 67.2013 391.613 GPRESSURE: 1582200 -66.2716 145.661 -107.207 175.05 288.52 30.329 -30.0621 83.9765 362.709 PRESSAVG: 1582200 9.72732 -16.4196 -26.7561 -16.4196 -15.6551 -49.1413 -26.7561 -49.1412 38.877 GPRESSAVG: 1582200 10.6872 -15.748 -27.6694 -18.0749 -15.7293 -48.8001 -28.0454 -48.7704 38.6083 TIMING: 1582200 CPU: 4985, 0.00314532/step Wall: 4985, 0.00314532/step, 2.98613 hours remaining, 239.691406 MB of memory in use. ENERGY: 1582200 4037.0565 20511.3513 14483.0624 249.2998 -203745.1893 2656.9742 0.0000 0.0000 52007.3943 -109800.0507 298.8872 -161807.4450 -109442.0053 298.7818 175.0266 194.9856 757828.8864 10.9831 11.1887 PRESSURE: 1582400 143.01 132.538 -202.795 132.538 -222.659 71.936 -202.797 71.9354 -151.869 GPRESSURE: 1582400 141.788 111.68 -183.06 193.202 -189.558 42.2321 -49.8421 39.6419 -96.869 PRESSAVG: 1582400 -21.3267 12.5793 -9.26763 12.5794 19.313 -47.6358 -9.26758 -47.6358 -2.14578 GPRESSAVG: 1582400 -21.5877 10.7411 -9.19769 13.3485 18.2559 -46.4979 -7.35998 -48.4326 -1.00955 TIMING: 1582400 CPU: 4985.63, 0.00316775/step Wall: 4985.63, 0.00316775/step, 3.00725 hours remaining, 239.691406 MB of memory in use. ENERGY: 1582400 4023.3472 20534.3642 14403.8618 240.0531 -203475.7258 2456.2248 0.0000 0.0000 51976.6495 -109841.2252 298.7105 -161817.8747 -109479.4149 298.7183 -77.1725 -48.2129 759813.5813 -1.3865 -1.4471 PRESSURE: 1582600 -289.727 206.374 220.24 206.373 -352.8 -59.1502 220.239 -59.1503 -136.705 GPRESSURE: 1582600 -276.493 159.278 79.3347 179.089 -190.572 42.9465 116.37 -139.99 -219.054 PRESSAVG: 1582600 36.9543 -16.9605 14.8306 -16.9605 20.1929 17.6545 14.8306 17.6545 9.12927 GPRESSAVG: 1582600 36.9512 -15.4374 14.756 -17.7859 20.8864 17.8031 11.2728 17.4747 8.40592 TIMING: 1582600 CPU: 4986.25, 0.00312497/step Wall: 4986.25, 0.00312497/step, 2.96646 hours remaining, 239.691406 MB of memory in use. ENERGY: 1582600 3972.5123 20573.7260 14367.8034 250.8506 -203087.6910 1917.2375 0.0000 0.0000 51842.3301 -110163.2312 297.9386 -162005.5613 -109799.9654 298.6267 -259.7438 -228.7067 759223.3564 22.0922 22.0812 PRESSURE: 1582800 -490.835 -319.927 -162.475 -319.927 -357.132 -81.1429 -162.475 -81.1425 -129.137 GPRESSURE: 1582800 -476.928 -331.263 -84.699 -293.646 -266.923 -120.249 -137.026 -191.629 -140.003 PRESSAVG: 1582800 -2.03469 -23.7287 -18.4779 -23.7286 -28.0088 -40.1289 -18.4778 -40.129 1.3259 GPRESSAVG: 1582800 -1.57435 -25.6467 -19.0959 -24.6806 -29.0143 -41.8172 -17.3196 -40.2313 2.21601 TIMING: 1582800 CPU: 4986.88, 0.0031295/step Wall: 4986.88, 0.0031295/step, 2.97059 hours remaining, 239.691406 MB of memory in use. ENERGY: 1582800 3934.1739 20483.4148 14471.0098 247.7696 -203441.5325 2341.5367 0.0000 0.0000 51792.1647 -110171.4631 297.6503 -161963.6277 -109807.6598 298.3313 -325.7013 -294.6182 760562.6078 -9.5725 -9.4576 PRESSURE: 1583000 61.4467 229.435 -18.7682 229.435 -199.829 -294.871 -18.769 -294.872 206.229 GPRESSURE: 1583000 53.3502 131.744 50.8123 306.321 -75.7227 -259.228 -125.213 -239.944 164.304 PRESSAVG: 1583000 -29.765 -17.0341 -25.593 -17.034 -22.64 -70.8593 -25.5929 -70.8592 -2.6902 GPRESSAVG: 1583000 -30.5719 -17.1573 -25.4678 -16.4119 -21.0436 -70.9989 -26.1321 -71.1606 -3.17254 TIMING: 1583000 CPU: 4987.51, 0.00312882/step Wall: 4987.51, 0.00312882/step, 2.96977 hours remaining, 239.691406 MB of memory in use. ENERGY: 1583000 4010.0604 20522.3364 14466.4754 248.6133 -203539.5421 2629.4715 0.0000 0.0000 51835.1175 -109827.4676 297.8971 -161662.5851 -109463.5506 298.2107 22.6156 47.3104 761890.1809 -18.3650 -18.2627 PRESSURE: 1583200 -406.114 -91.9404 188.011 -91.9404 -273.902 268.243 188.012 268.243 -173.411 GPRESSURE: 1583200 -414.028 -63.0449 162.24 -82.9839 -241.311 165.725 206.371 407.54 -127.217 PRESSAVG: 1583200 16.0804 -56.2962 -23.406 -56.2962 -24.5948 8.86127 -23.4059 8.86125 -19.0501 GPRESSAVG: 1583200 15.6599 -55.964 -23.4257 -52.7205 -24.0906 10.1112 -21.2032 9.91379 -19.2465 TIMING: 1583200 CPU: 4988.13, 0.00314193/step Wall: 4988.13, 0.00314193/step, 2.98204 hours remaining, 239.691406 MB of memory in use. ENERGY: 1583200 4006.9260 20456.9657 14470.7186 250.6555 -203460.1415 2346.9840 0.0000 0.0000 52109.5160 -109818.3756 299.4741 -161927.8916 -109452.2534 298.4640 -284.4754 -260.8521 760568.4049 -9.1882 -9.2257 PRESSURE: 1583400 122.757 57.6735 5.15985 57.6742 -41.8939 66.7182 5.1596 66.717 39.5205 GPRESSURE: 1583400 88.6281 97.133 10.5064 -73.0637 -29.3038 103.327 5.70671 -26.8415 163.1 PRESSAVG: 1583400 9.86434 -16.5758 -24.9446 -16.5758 -28.3538 2.19122 -24.9445 2.19123 -19.2318 GPRESSAVG: 1583400 10.3316 -15.2603 -24.1001 -19.8031 -29.9471 1.2455 -26.9883 3.72281 -18.4661 TIMING: 1583400 CPU: 4988.76, 0.00314245/step Wall: 4988.76, 0.00314245/step, 2.98236 hours remaining, 239.691406 MB of memory in use. ENERGY: 1583400 4001.2879 20480.4283 14447.5459 244.5127 -202978.3529 2432.1264 0.0000 0.0000 51685.5739 -109686.8779 297.0377 -161372.4518 -109328.3455 298.9054 40.1279 74.1415 759383.6083 -12.5737 -12.6939 PRESSURE: 1583600 -390.425 -96.7516 114.598 -96.7522 -237.191 -52.5417 114.598 -52.5412 -123.232 GPRESSURE: 1583600 -357.851 -74.5017 185.47 -99.5688 -142.545 -37.0173 193.416 109.974 -174.634 PRESSAVG: 1583600 24.723 9.17348 26.4487 9.17346 -36.5744 -35.4426 26.4487 -35.4426 -9.50481 GPRESSAVG: 1583600 25.568 9.06822 26.5845 10.6783 -36.0344 -34.9487 26.7888 -36.2213 -10.5406 TIMING: 1583600 CPU: 4989.39, 0.00313197/step Wall: 4989.39, 0.00313197/step, 2.97224 hours remaining, 239.691406 MB of memory in use. ENERGY: 1583600 4022.9566 20535.4328 14508.9858 236.8442 -203558.9132 2537.9050 0.0000 0.0000 52212.9376 -109503.8512 300.0685 -161716.7888 -109142.0693 299.1242 -250.2825 -225.0099 760115.5184 -7.1188 -7.0023 PRESSURE: 1583800 -142.532 176.059 232.953 176.059 -235.352 -41.0731 232.953 -41.0728 -183.996 GPRESSURE: 1583800 -107.353 179.656 203.302 197.35 -145.796 7.54917 171.49 -74.0366 -228.972 PRESSAVG: 1583800 14.2643 -23.5867 16.2271 -23.5867 -3.16145 -6.23072 16.2271 -6.23071 20.673 GPRESSAVG: 1583800 15.0966 -23.6743 15.9772 -24.5495 -3.49761 -6.06254 15.6487 -7.58961 20.1529 TIMING: 1583800 CPU: 4990.02, 0.00315481/step Wall: 4990.02, 0.00315481/step, 2.99374 hours remaining, 239.691406 MB of memory in use. ENERGY: 1583800 3976.7614 20497.3714 14404.1570 243.5942 -203321.0335 2513.9744 0.0000 0.0000 52160.3958 -109524.7793 299.7665 -161685.1752 -109169.2244 299.3854 -187.2933 -160.7070 761702.0316 10.5920 10.5840 PRESSURE: 1584000 -11.8078 -214.507 116.667 -214.508 -278.239 1.72828 116.667 1.72834 3.33936 GPRESSURE: 1584000 44.4445 -97.9908 124.825 -176.343 -338.45 38.6837 -51.3587 92.5973 74.5899 PRESSAVG: 1584000 -22.0102 -19.0508 -2.64665 -19.0508 13.892 37.0443 -2.64667 37.0442 1.38647 GPRESSAVG: 1584000 -23.1847 -19.6503 -2.23187 -19.7149 14.0297 39.2129 -3.45595 36.1252 2.66776 TIMING: 1584000 CPU: 4990.65, 0.00316702/step Wall: 4990.65, 0.00316702/step, 3.00515 hours remaining, 239.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1584000 4072.4068 20525.8286 14467.5629 242.7789 -203388.1603 2474.8005 0.0000 0.0000 52051.5507 -109553.2319 299.1410 -161604.7826 -109185.7146 298.4947 -95.5692 -73.1385 759420.1055 -2.2439 -2.1624 PRESSURE: 1584200 389.63 -105.033 138.124 -105.031 99.1114 -29.0878 138.125 -29.0877 316.5 GPRESSURE: 1584200 407.911 -145.916 95.8016 -112.648 129.048 -21.5902 103.065 26.2426 336.777 PRESSAVG: 1584200 -33.2507 -39.5359 15.9076 -39.5359 43.5929 -53.4004 15.9076 -53.4005 -17.3106 GPRESSAVG: 1584200 -34.1475 -41.5923 15.3164 -37.2761 42.8986 -56.1578 15.0546 -51.3188 -16.3091 TIMING: 1584200 CPU: 4991.28, 0.00313034/step Wall: 4991.28, 0.00313034/step, 2.97017 hours remaining, 239.691406 MB of memory in use. ENERGY: 1584200 3992.9752 20539.0334 14445.4279 249.2521 -203710.9905 2758.2453 0.0000 0.0000 52164.9318 -109561.1249 299.7926 -161726.0567 -109194.6076 299.2558 268.4138 291.2452 759946.1572 -2.3228 -2.5193 LDB: ============= START OF LOAD BALANCING ============== 5003.68 LDB: ============== END OF LOAD BALANCING =============== 5003.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5003.68 LDB: ============= START OF LOAD BALANCING ============== 5003.99 LDB: Largest compute 7062 load 0.032943 is 16.8% of average load 0.195975 LDB: Average compute 0.004397 is 2.2% of average load 0.195975 LDB: TIME 5003.99 LOAD: AVG 0.195975 MAX 0.215218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.465 MB LDB: TIME 5003.99 LOAD: AVG 0.195975 MAX 0.215218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.539 MB LDB: TIME 5003.99 LOAD: AVG 0.195975 MAX 0.215218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.539 MB LDB: ============== END OF LOAD BALANCING =============== 5004 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5004 PRESSURE: 1584400 -118.574 -36.8633 35.8127 -36.8646 120.042 -215.305 35.8123 -215.305 319.163 GPRESSURE: 1584400 -14.9192 15.3266 68.9208 95.9914 155.463 -228.436 166.692 -83.079 252.212 PRESSAVG: 1584400 -16.4135 -34.8003 25.8162 -34.8003 2.82372 -39.1566 25.8162 -39.1566 14.1034 GPRESSAVG: 1584400 -15.4202 -31.7212 25.6542 -36.3782 3.31173 -38.9793 26.2754 -39.6071 12.9787 TIMING: 1584400 CPU: 4991.92, 0.00318895/step Wall: 4991.92, 0.00318896/step, 3.02561 hours remaining, 239.175781 MB of memory in use. ENERGY: 1584400 3971.8676 20625.5285 14505.2138 239.1101 -203003.5052 2234.2560 0.0000 0.0000 52182.3952 -109245.1340 299.8929 -161427.5292 -108892.4627 299.5622 106.8769 130.9186 761394.2541 0.1712 0.2901 PRESSURE: 1584600 64.2948 15.1919 117.787 15.1914 181.973 -4.00612 117.788 -4.00582 91.3853 GPRESSURE: 1584600 175.964 26.1184 47.1075 27.4369 216.583 72.5041 89.8669 48.8346 38.9529 PRESSAVG: 1584600 3.70506 -47.4593 12.6999 -47.4594 -13.8943 15.4178 12.6998 15.4178 9.20158 GPRESSAVG: 1584600 4.14893 -48.0951 12.211 -48.9732 -13.176 15.7053 14.1152 15.6313 8.5217 TIMING: 1584600 CPU: 4992.55, 0.00314932/step Wall: 4992.55, 0.00314932/step, 2.98783 hours remaining, 239.175781 MB of memory in use. ENERGY: 1584600 4052.5056 20441.5303 14469.9172 248.3680 -203438.7197 2627.9413 0.0000 0.0000 52093.8451 -109504.6122 299.3840 -161598.4573 -109139.7000 299.3498 112.5509 143.8333 759388.6113 -0.3292 -0.1685 PRESSURE: 1584800 -341.453 -32.0929 -43.8756 -32.0934 -305.583 53.6209 -43.8751 53.6216 -258.192 GPRESSURE: 1584800 -298.371 -99.0114 -14.5797 -191.908 -318.529 0.26538 -126.326 -17.8813 -209.439 PRESSAVG: 1584800 51.2805 -15.215 -38.189 -15.2149 7.64727 -8.2475 -38.1889 -8.24748 9.47305 GPRESSAVG: 1584800 50.6387 -15.2432 -37.4034 -13.2749 7.87382 -9.7169 -39.0577 -9.93681 10.3118 TIMING: 1584800 CPU: 4993.18, 0.00315777/step Wall: 4993.18, 0.00315777/step, 2.99567 hours remaining, 239.175781 MB of memory in use. ENERGY: 1584800 3993.0288 20549.2139 14568.1663 239.7191 -202733.2564 1962.7324 0.0000 0.0000 51836.5940 -109583.8020 297.9056 -161420.3959 -109222.8543 298.9185 -301.7425 -275.4461 763285.7625 22.8003 22.9414 PRESSURE: 1585000 147.559 -73.9532 82.8221 -73.9536 279.132 -220.916 82.8237 -220.915 571.76 GPRESSURE: 1585000 183.622 -146.828 105.837 -131.18 327.284 -244.239 92.6043 -229.416 562.336 PRESSAVG: 1585000 9.87945 -6.94947 16.3615 -6.94942 -4.43317 -11.2293 16.3615 -11.2293 0.953905 GPRESSAVG: 1585000 8.65556 -8.19384 16.726 -6.50867 -4.979 -10.7615 16.1123 -10.7104 2.55071 TIMING: 1585000 CPU: 4993.81, 0.00313231/step Wall: 4993.81, 0.00313231/step, 2.97134 hours remaining, 239.175781 MB of memory in use. ENERGY: 1585000 4001.6256 20578.9683 14472.3298 253.8042 -203694.5098 2687.8003 0.0000 0.0000 52129.3754 -109570.6063 299.5882 -161699.9816 -109201.4351 299.3579 332.8173 357.7473 760002.5968 2.1334 2.0758 PRESSURE: 1585200 -274.429 -162.657 21.6318 -162.656 -249.09 18.8069 21.6311 18.8064 250.282 GPRESSURE: 1585200 -162.812 -154.569 100.631 -194.117 -224.714 18.9045 24.6677 11.2279 169.108 PRESSAVG: 1585200 2.26422 -25.91 32.2866 -25.9098 18.5552 -10.1142 32.2865 -10.1143 -18.7471 GPRESSAVG: 1585200 3.19224 -24.6517 31.7108 -27.3263 18.2397 -9.36728 31.6265 -11.074 -19.2903 TIMING: 1585200 CPU: 4994.43, 0.00313158/step Wall: 4994.43, 0.00313158/step, 2.97047 hours remaining, 239.175781 MB of memory in use. ENERGY: 1585200 4050.4980 20618.8700 14415.1643 258.7177 -203160.1879 2218.6498 0.0000 0.0000 51969.1920 -109629.0960 298.6677 -161598.2880 -109267.2502 298.8839 -91.0792 -72.8060 762038.4065 0.6908 0.7139 PRESSURE: 1585400 35.3993 -75.2514 -60.0943 -75.2513 143.163 242.36 -60.0937 242.36 97.3508 GPRESSURE: 1585400 55.3761 -35.2514 -4.13479 -48.8979 163.244 158.3 -119.839 342.231 141.349 PRESSAVG: 1585400 -37.7605 -62.2552 5.27602 -62.2552 13.3427 -20.0854 5.27604 -20.0855 27.117 GPRESSAVG: 1585400 -38.2723 -62.5211 3.83288 -63.6942 14.4363 -21.5302 8.8936 -17.0285 27.5048 TIMING: 1585400 CPU: 4995.07, 0.00316828/step Wall: 4995.07, 0.00316828/step, 3.00511 hours remaining, 239.175781 MB of memory in use. ENERGY: 1585400 3920.6258 20467.8610 14428.0701 249.8350 -203458.9077 2494.3924 0.0000 0.0000 52194.4249 -109703.6984 299.9621 -161898.1233 -109327.6845 298.8241 91.9710 119.9897 760710.2029 0.8998 1.2229 PRESSURE: 1585600 50.4165 -122.154 -171.904 -122.154 -125.068 14.7367 -171.905 14.737 -414.64 GPRESSURE: 1585600 187.097 79.4577 -104.023 -45.8227 -221.224 -34.4743 -157.905 16.5129 -381.316 PRESSAVG: 1585600 56.3268 0.69434 36.9815 0.694299 -7.39117 19.2869 36.9815 19.2868 7.23761 GPRESSAVG: 1585600 57.3634 0.987929 37.5484 3.35044 -8.21071 20.3837 34.9221 18.152 6.25834 TIMING: 1585600 CPU: 4995.69, 0.00314019/step Wall: 4995.69, 0.00314019/step, 2.9783 hours remaining, 239.175781 MB of memory in use. ENERGY: 1585600 3975.3344 20704.8295 14422.2477 257.7902 -203718.0547 2658.4445 0.0000 0.0000 52004.4044 -109695.0040 298.8700 -161699.4084 -109342.4630 299.3580 -163.0974 -138.4808 761103.2571 18.7244 18.4703 PRESSURE: 1585800 -148.254 -201.818 -56.8178 -201.818 -29.8015 -256.075 -56.8181 -256.075 -346.508 GPRESSURE: 1585800 -178.834 -170.967 -30.7345 -249.249 106.538 -233.477 -35.919 -160.913 -358.599 PRESSAVG: 1585800 -93.0957 -40.4731 -43.9573 -40.473 7.69731 5.55577 -43.9573 5.5557 1.3871 GPRESSAVG: 1585800 -93.7124 -42.2101 -43.1224 -41.876 9.4851 4.28408 -43.5208 5.67099 -0.0742442 TIMING: 1585800 CPU: 4996.32, 0.00312858/step Wall: 4996.32, 0.00312858/step, 2.96711 hours remaining, 239.175781 MB of memory in use. ENERGY: 1585800 3998.6225 20651.5451 14446.9098 257.7419 -203309.0023 2645.4432 0.0000 0.0000 51688.9625 -109619.7773 297.0572 -161308.7398 -109265.3455 298.7022 -174.8547 -143.6314 762819.9028 -28.0037 -28.1005 PRESSURE: 1586000 -91.6369 -11.359 192.153 -11.3597 28.6036 -118.174 192.153 -118.173 -163.537 GPRESSURE: 1586000 -111.213 -43.275 58.0051 -97.2531 36.7581 -100.344 247.149 -54.999 -48.8139 PRESSAVG: 1586000 -10.6909 -62.4325 -42.5421 -62.4326 -16.8032 -69.6547 -42.5421 -69.6547 -7.15287 GPRESSAVG: 1586000 -10.7348 -62.1004 -43.3092 -61.1842 -20.687 -69.1625 -44.5156 -70.8019 -3.37283 TIMING: 1586000 CPU: 4996.94, 0.00312815/step Wall: 4996.94, 0.00312815/step, 2.96653 hours remaining, 239.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1586000 3996.0500 20559.2992 14439.9689 236.9503 -203446.2319 2732.7131 0.0000 0.0000 51929.7895 -109551.4610 298.4412 -161481.2505 -109199.3994 298.7254 -75.5233 -41.0895 762153.7416 -11.5490 -11.5982 PRESSURE: 1586200 -44.8186 -38.2034 -33.694 -38.2035 -428.465 -116.661 -33.6941 -116.66 -262.112 GPRESSURE: 1586200 5.71886 24.6178 -18.5115 -15.9561 -411.578 -99.5361 66.4962 5.5262 -249.554 PRESSAVG: 1586200 22.5913 4.75746 35.5748 4.75744 -64.1731 -1.80025 35.5749 -1.80019 12.9166 GPRESSAVG: 1586200 21.7605 4.65801 35.8477 4.60319 -61.6569 -1.60314 35.7444 -1.12404 11.1634 TIMING: 1586200 CPU: 4997.57, 0.00314185/step Wall: 4997.57, 0.00314185/step, 2.97935 hours remaining, 239.175781 MB of memory in use. ENERGY: 1586200 3973.2026 20281.0985 14450.4769 240.5295 -203181.5855 2454.5472 0.0000 0.0000 52156.9862 -109624.7446 299.7469 -161781.7308 -109253.9690 298.7734 -245.1317 -218.4712 764027.7366 -9.5551 -9.5777 PRESSURE: 1586400 2.40064 -122.893 -56.964 -122.892 10.2739 -24.5514 -56.9632 -24.5522 274.173 GPRESSURE: 1586400 60.8775 -35.7648 33.161 -23.443 57.7031 13.5956 -106.155 -46.894 227.985 PRESSAVG: 1586400 -23.8081 -27.5242 36.1432 -27.5241 -13.3402 -31.0882 36.1432 -31.0883 -8.88215 GPRESSAVG: 1586400 -23.8383 -27.8252 36.8992 -26.8253 -12.0241 -31.2309 36.6978 -30.9082 -10.1027 TIMING: 1586400 CPU: 4998.2, 0.00314548/step Wall: 4998.2, 0.00314548/step, 2.98262 hours remaining, 239.175781 MB of memory in use. ENERGY: 1586400 3967.5441 20502.0078 14449.4550 237.7902 -203072.6774 2463.6823 0.0000 0.0000 52011.3890 -109440.8089 298.9102 -161452.1980 -109089.8187 298.8834 95.6157 115.5220 762556.5744 -15.3435 -15.3217 PRESSURE: 1586600 -80.3757 -217.1 158.337 -217.1 136.184 -227.964 158.337 -227.963 283.923 GPRESSURE: 1586600 -4.09693 -160.249 154.126 -79.0521 190.84 -158.519 28.4765 -146.727 232.937 PRESSAVG: 1586600 38.1926 -6.70756 19.8895 -6.70759 -0.0571439 -21.3401 19.8895 -21.3401 -11.8382 GPRESSAVG: 1586600 38.4469 -6.33513 18.9553 -6.10497 -0.589308 -19.711 21.4809 -22.1812 -11.362 TIMING: 1586600 CPU: 4998.83, 0.00314442/step Wall: 4998.83, 0.00314442/step, 2.98143 hours remaining, 239.175781 MB of memory in use. ENERGY: 1586600 3927.4275 20555.6613 14462.1552 244.9532 -203579.7869 2868.5930 0.0000 0.0000 52184.3624 -109336.6342 299.9042 -161520.9966 -108977.9833 298.8704 113.2438 139.8932 760867.3601 8.7657 8.8318 PRESSURE: 1586800 13.7724 41.2141 29.253 41.2144 85.7717 -0.695399 29.2533 -0.696367 -274.386 GPRESSURE: 1586800 67.8089 14.6853 53.6937 4.70893 114.187 -34.5121 108.459 -21.8063 -282.291 PRESSAVG: 1586800 11.043 6.56073 -7.91343 6.56067 15.4787 -32.1103 -7.91344 -32.1104 -15.3262 GPRESSAVG: 1586800 11.1403 6.55797 -6.80832 5.99964 14.1068 -33.7091 -10.6287 -32.1694 -14.6796 TIMING: 1586800 CPU: 4999.46, 0.00314005/step Wall: 4999.46, 0.00314005/step, 2.97712 hours remaining, 239.175781 MB of memory in use. ENERGY: 1586800 3981.7332 20511.4140 14514.6004 232.3771 -203148.1590 2548.5410 0.0000 0.0000 51873.8286 -109485.6647 298.1196 -161359.4933 -109120.0889 298.9388 -58.2807 -33.4315 762740.7318 3.7318 3.5225 PRESSURE: 1587000 -618.647 -192.314 -42.1885 -192.314 -125.29 195.334 -42.1881 195.334 128.438 GPRESSURE: 1587000 -534.415 -275.719 14.3387 -101.008 -100.146 215.054 29.3599 132.169 88.3104 PRESSAVG: 1587000 15.7544 -107.724 25.3805 -107.724 -39.1037 -38.9559 25.3805 -38.9559 -27.4913 GPRESSAVG: 1587000 15.5197 -107.873 25.3004 -106.096 -38.3299 -37.5125 27.7823 -40.8321 -28.2072 TIMING: 1587000 CPU: 5000.08, 0.00312629/step Wall: 5000.08, 0.00312629/step, 2.9639 hours remaining, 239.175781 MB of memory in use. ENERGY: 1587000 4017.2435 20593.1427 14441.3441 240.5894 -203139.7594 2555.5731 0.0000 0.0000 51958.7577 -109333.1088 298.6077 -161291.8666 -108984.4810 299.4383 -205.1663 -182.0836 764784.5252 -16.9469 -17.0058 PRESSURE: 1587200 -92.6771 7.34728 -1.96958 7.34797 -325.88 -202.551 -1.97015 -202.551 -11.5047 GPRESSURE: 1587200 -68.7731 13.0015 92.0396 80.9306 -208.307 -114.817 8.80297 -68.81 -40.2072 PRESSAVG: 1587200 -11.312 -78.2853 14.682 -78.2853 20.3703 -15.3824 14.682 -15.3824 2.48874 GPRESSAVG: 1587200 -11.7536 -77.5731 15.0037 -79.7407 21.0135 -15.3484 13.918 -13.5935 2.93497 TIMING: 1587200 CPU: 5000.71, 0.00312948/step Wall: 5000.71, 0.00312948/step, 2.96674 hours remaining, 239.175781 MB of memory in use. ENERGY: 1587200 3900.7145 20380.1947 14422.0172 247.8475 -203028.6601 2658.7449 0.0000 0.0000 51873.7280 -109545.4133 298.1190 -161419.1414 -109178.7303 298.9214 -143.3541 -105.7624 764643.3126 3.8490 4.0649 PRESSURE: 1587400 365.269 25.6471 -16.9321 25.6472 140.301 -120.866 -16.9317 -120.867 -92.2462 GPRESSURE: 1587400 392.275 -22.1164 12.1113 -61.194 132.656 -105.653 -49.0051 -269.26 -36.3022 PRESSAVG: 1587400 48.3477 -30.7882 -23.0252 -30.7883 -40.233 -79.7294 -23.0252 -79.7295 10.5072 GPRESSAVG: 1587400 48.9646 -30.3567 -24.8573 -32.5448 -40.8937 -80.8189 -22.3197 -78.7539 10.3668 TIMING: 1587400 CPU: 5001.34, 0.00314003/step Wall: 5001.34, 0.00314003/step, 2.97657 hours remaining, 239.175781 MB of memory in use. ENERGY: 1587400 3984.0754 20178.4799 14504.4495 255.1217 -203650.5306 2858.8038 0.0000 0.0000 52103.3870 -109766.2132 299.4389 -161869.6002 -109403.4587 298.9515 137.7744 162.8761 762989.8158 6.2073 6.1459 PRESSURE: 1587600 -35.4238 90.3907 55.6925 90.3905 57.9149 214.49 55.6922 214.49 -262.671 GPRESSURE: 1587600 34.8414 48.2513 164.481 -94.0013 46.2077 164.86 -32.6413 148.738 -232.31 PRESSAVG: 1587600 -1.40361 -69.8316 -42.8418 -69.8316 29.106 -12.7204 -42.8419 -12.7205 -1.03367 GPRESSAVG: 1587600 -1.3527 -69.4764 -41.393 -68.5589 29.2702 -11.9588 -41.9305 -13.3563 -1.39629 TIMING: 1587600 CPU: 5001.97, 0.00315785/step Wall: 5001.97, 0.00315785/step, 2.99329 hours remaining, 239.175781 MB of memory in use. ENERGY: 1587600 3965.6652 20341.1692 14484.6229 244.5288 -203652.7619 2680.4280 0.0000 0.0000 52082.4055 -109853.9424 299.3183 -161936.3478 -109485.3066 298.1397 -80.0601 -50.4202 762580.0564 8.8896 8.8404 PRESSURE: 1587800 240.137 -95.4423 80.1925 -95.4418 -35.1658 -39.9659 80.1925 -39.9666 84.4045 GPRESSURE: 1587800 215.851 -230.37 -3.00708 -60.572 -22.6864 -30.6436 -18.4992 -6.89621 181.519 PRESSAVG: 1587800 0.596927 -19.9599 20.4064 -19.9598 -39.5466 -14.1125 20.4064 -14.1126 -12.5178 GPRESSAVG: 1587800 1.547 -21.8428 19.2453 -19.2519 -39.6862 -14.4557 19.3079 -13.4526 -13.127 TIMING: 1587800 CPU: 5002.6, 0.00314192/step Wall: 5002.6, 0.00314192/step, 2.97801 hours remaining, 239.175781 MB of memory in use. ENERGY: 1587800 3927.7452 20193.5308 14428.7099 249.1037 -203551.5568 2838.2578 0.0000 0.0000 52098.3469 -109815.8625 299.4099 -161914.2094 -109461.4944 298.3331 96.4586 124.8947 763480.9788 -17.1558 -17.0887 PRESSURE: 1588000 -127.714 104.478 -134.861 104.477 -92.6404 168.245 -134.862 168.246 221.965 GPRESSURE: 1588000 -123.383 59.0972 -109.495 78.7787 -25.5415 53.1247 -206.068 217.06 233.896 PRESSAVG: 1588000 33.44 -47.2638 6.55592 -47.2638 -17.2371 -33.3477 6.55592 -33.3478 12.9705 GPRESSAVG: 1588000 31.533 -46.9291 7.64362 -46.341 -16.4538 -32.8584 6.22276 -36.1239 14.0856 TIMING: 1588000 CPU: 5003.22, 0.0031244/step Wall: 5003.22, 0.0031244/step, 2.96124 hours remaining, 239.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1588000 3933.0418 20381.5110 14535.6699 244.1397 -203525.8082 2812.0708 0.0000 0.0000 51929.7421 -109689.6329 298.4409 -161619.3750 -109322.4372 298.6234 0.5370 28.3237 761884.3969 9.7245 9.7216 PRESSURE: 1588200 90.0162 69.834 187.215 69.8336 169.133 60.0954 187.215 60.0959 -245.635 GPRESSURE: 1588200 82.7084 -66.6699 97.0788 -18.2388 166.253 86.9898 248.857 50.9037 -158.191 PRESSAVG: 1588200 12.6072 -25.9163 -78.1121 -25.9164 -6.6017 39.601 -78.1121 39.601 -21.9642 GPRESSAVG: 1588200 12.7923 -26.0203 -78.1064 -27.1135 -7.69188 39.6706 -77.3718 42.3713 -21.5657 TIMING: 1588200 CPU: 5003.85, 0.00314372/step Wall: 5003.85, 0.00314372/step, 2.97937 hours remaining, 239.175781 MB of memory in use. ENERGY: 1588200 4028.0416 20505.2161 14524.7127 238.3338 -203454.4458 2549.7247 0.0000 0.0000 51920.9711 -109687.4457 298.3905 -161608.4169 -109341.8524 298.6941 4.5047 30.2569 762743.8363 -5.3196 -5.4884 LDB: ============= START OF LOAD BALANCING ============== 5016.25 LDB: ============== END OF LOAD BALANCING =============== 5016.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5016.25 LDB: ============= START OF LOAD BALANCING ============== 5016.57 LDB: Largest compute 7025 load 0.033156 is 16.9% of average load 0.195884 LDB: Average compute 0.004404 is 2.2% of average load 0.195884 LDB: TIME 5016.57 LOAD: AVG 0.195884 MAX 0.217744 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.625 MB LDB: TIME 5016.57 LOAD: AVG 0.195884 MAX 0.217744 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.828 MB LDB: TIME 5016.57 LOAD: AVG 0.195884 MAX 0.217744 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.828 MB LDB: ============== END OF LOAD BALANCING =============== 5016.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5016.58 PRESSURE: 1588400 148.682 120.614 -23.9693 120.614 255.234 -32.4791 -23.9693 -32.4793 -128.344 GPRESSURE: 1588400 245.479 -23.1688 -58.1155 100.704 245.601 -115.721 87.5687 -8.05063 -125.31 PRESSAVG: 1588400 -26.4079 -46.1095 -30.0549 -46.1094 34.1583 36.6082 -30.055 36.6082 3.56582 GPRESSAVG: 1588400 -23.8523 -44.9389 -30.4978 -47.3677 32.948 36.1048 -29.7283 35.3059 2.48654 TIMING: 1588400 CPU: 5004.5, 0.00323502/step Wall: 5004.5, 0.00323502/step, 3.06572 hours remaining, 238.191406 MB of memory in use. ENERGY: 1588400 3962.8959 20381.3585 14473.0624 258.3093 -203487.8044 2765.2139 0.0000 0.0000 51945.3096 -109701.6548 298.5304 -161646.9644 -109342.7435 298.6838 91.8575 121.9230 762760.7884 3.7721 3.8607 PRESSURE: 1588600 159.057 -83.0294 -157.408 -83.029 -9.28313 161.518 -157.408 161.518 -178.302 GPRESSURE: 1588600 136.897 -3.06885 -230.531 49.5475 13.8615 55.3795 -7.20848 225.611 -95.8695 PRESSAVG: 1588600 -42.7007 -44.8681 -22.2611 -44.8681 18.0805 -22.7346 -22.261 -22.7347 -1.74555 GPRESSAVG: 1588600 -44.3855 -43.8153 -23.1232 -42.7806 19.4698 -19.8431 -21.6922 -22.7625 -1.01678 TIMING: 1588600 CPU: 5005.13, 0.00313745/step Wall: 5005.13, 0.00313745/step, 2.97308 hours remaining, 238.191406 MB of memory in use. ENERGY: 1588600 3962.9695 20517.7396 14491.0478 243.2543 -203408.8347 2608.6101 0.0000 0.0000 51884.5948 -109700.6186 298.1815 -161585.2134 -109348.5774 298.7339 -9.5092 18.2962 762564.6322 -8.7886 -8.6442 PRESSURE: 1588800 24.1181 -179.547 241.358 -179.548 -10.1562 -16.4246 241.358 -16.4245 772.713 GPRESSURE: 1588800 73.9175 -31.1168 211.231 -289.462 69.6479 -52.5285 177.935 -116.476 708.572 PRESSAVG: 1588800 67.1143 -2.36571 -27.9669 -2.3657 -27.777 33.9656 -27.9668 33.9656 -22.8916 GPRESSAVG: 1588800 67.6597 -1.52859 -27.5451 -4.46729 -27.9276 32.9928 -28.6509 34.1824 -23.0396 TIMING: 1588800 CPU: 5005.76, 0.00315032/step Wall: 5005.76, 0.00315032/step, 2.9851 hours remaining, 238.191406 MB of memory in use. ENERGY: 1588800 3929.5946 20334.1516 14482.4191 253.3323 -203910.8890 2920.3060 0.0000 0.0000 52144.4332 -109846.6523 299.6748 -161991.0855 -109480.6366 298.8277 262.2249 284.0458 761794.8606 5.4819 5.5642 PRESSURE: 1589000 -97.6532 -4.23895 -183.045 -4.23848 205.44 168.356 -183.045 168.355 226.618 GPRESSURE: 1589000 -2.511 -24.123 -148.381 -4.85579 179.717 35.119 -243.688 73.5235 231.586 PRESSAVG: 1589000 -22.5626 -59.6693 -19.8442 -59.6692 -20.772 5.95512 -19.8442 5.95503 -8.77595 GPRESSAVG: 1589000 -22.0448 -60.8796 -19.1637 -58.4282 -20.9621 3.80872 -19.3897 7.17535 -9.17184 TIMING: 1589000 CPU: 5006.39, 0.00315301/step Wall: 5006.39, 0.00315301/step, 2.98748 hours remaining, 238.191406 MB of memory in use. ENERGY: 1589000 3995.8551 20414.4011 14594.9131 264.8989 -203732.3881 2721.4840 0.0000 0.0000 52120.2718 -109620.5642 299.5359 -161740.8359 -109261.4639 299.0207 111.4686 136.2637 762823.8410 -17.3702 -17.3929 PRESSURE: 1589200 -406.567 -162.922 29.9706 -162.922 50.2762 51.1317 29.9702 51.1322 -77.8548 GPRESSURE: 1589200 -257.705 -148.998 -7.15274 -65.9497 -14.9382 47.63 17.2351 16.0085 -79.3048 PRESSAVG: 1589200 -21.3812 -3.32122 -55.8562 -3.32126 33.2452 26.443 -55.8562 26.443 -0.925298 GPRESSAVG: 1589200 -21.6128 -1.99017 -55.2376 -3.04206 32.5028 27.7791 -55.9113 24.8626 -0.334604 TIMING: 1589200 CPU: 5007.02, 0.00313902/step Wall: 5007.02, 0.00313902/step, 2.97405 hours remaining, 238.191406 MB of memory in use. ENERGY: 1589200 4049.8538 20434.3412 14546.9093 242.4180 -203279.1072 2747.5614 0.0000 0.0000 51812.4529 -109445.5705 297.7669 -161258.0234 -109079.1180 299.0196 -144.7152 -117.3161 763930.0287 3.6462 3.5185 PRESSURE: 1589400 -19.091 4.18531 32.3717 4.18534 100.237 -267.093 32.3719 -267.093 53.7442 GPRESSURE: 1589400 -94.0053 40.6521 78.722 -76.9862 143.424 -224.076 141.083 -261.18 166.085 PRESSAVG: 1589400 -64.8478 11.5673 61.4508 11.5673 62.2773 -39.2759 61.4508 -39.2759 -13.3684 GPRESSAVG: 1589400 -64.8582 11.3103 60.2095 8.835 63.7092 -40.1731 61.5185 -36.299 -14.0458 TIMING: 1589400 CPU: 5007.65, 0.00315201/step Wall: 5007.65, 0.00315201/step, 2.98618 hours remaining, 238.191406 MB of memory in use. ENERGY: 1589400 4022.5764 20570.1396 14589.5760 259.1310 -203137.4826 2591.4961 0.0000 0.0000 51820.0993 -109284.4642 297.8108 -161104.5635 -108936.9234 299.3042 44.9633 71.8346 763460.0901 -5.3130 -5.0650 PRESSURE: 1589600 -185.321 234.284 279.749 234.284 -178.905 39.7275 279.75 39.7282 40.0049 GPRESSURE: 1589600 -213.868 54.2766 315.98 247.425 -93.3808 81.1572 146.339 -18.938 77.0676 PRESSAVG: 1589600 -95.4788 -0.243946 -5.43874 -0.243933 71.3125 -34.0402 -5.43866 -34.0402 -3.47489 GPRESSAVG: 1589600 -95.9314 -0.151674 -5.91247 0.0181783 71.4934 -33.1224 -5.04797 -37.0245 -2.81683 TIMING: 1589600 CPU: 5008.27, 0.0031325/step Wall: 5008.27, 0.0031325/step, 2.96752 hours remaining, 238.191406 MB of memory in use. ENERGY: 1589600 3974.6728 20487.6792 14486.9229 231.7975 -203439.7071 2607.6465 0.0000 0.0000 52205.7971 -109445.1912 300.0274 -161650.9883 -109079.0738 299.2198 -108.0738 -76.7272 763249.2790 -9.2137 -9.0850 PRESSURE: 1589800 234.019 31.7768 -185.549 31.7771 -494.176 -82.5587 -185.549 -82.5596 16.7585 GPRESSURE: 1589800 143.56 132.837 -152.624 116.104 -302.951 -39.1463 -305.999 -23.2321 -20.5079 PRESSAVG: 1589800 25.2636 -63.3148 -30.7803 -63.3148 36.1538 28.3562 -30.7803 28.3563 -16.5347 GPRESSAVG: 1589800 25.7007 -62.7426 -28.565 -59.864 36.6552 29.5194 -32.0778 29.8723 -17.4432 TIMING: 1589800 CPU: 5008.91, 0.00318189/step Wall: 5008.91, 0.00318189/step, 3.01413 hours remaining, 238.191406 MB of memory in use. ENERGY: 1589800 3979.9697 20607.4665 14516.8446 248.3532 -203364.7650 2608.4395 0.0000 0.0000 51990.2537 -109413.4379 298.7887 -161403.6916 -109057.9774 299.5974 -81.1329 -59.9662 764508.3921 14.9609 14.9709 PRESSURE: 1590000 255.293 -79.6287 -245.979 -79.6289 19.5782 30.8102 -245.979 30.8089 51.8385 GPRESSURE: 1590000 287.276 -260.537 -220.391 -109.576 -6.57472 5.99175 -225.494 54.4226 123.233 PRESSAVG: 1590000 -24.2874 -26.0816 6.09508 -26.0816 -38.1001 -33.9772 6.09506 -33.9772 -17.7185 GPRESSAVG: 1590000 -24.2449 -29.4727 4.53846 -27.8453 -38.2105 -34.6118 8.87434 -35.9291 -17.246 TIMING: 1590000 CPU: 5009.54, 0.00316895/step Wall: 5009.54, 0.00316895/step, 3.0017 hours remaining, 238.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1590000 3968.6641 20584.4233 14481.9986 257.2298 -203345.8243 2713.5832 0.0000 0.0000 52202.8789 -109137.0464 300.0107 -161339.9252 -108777.4881 300.1816 108.9033 134.6446 763516.6024 -26.7020 -26.5672 PRESSURE: 1590200 -333.136 -34.1961 11.3408 -34.196 -425.552 118.553 11.3413 118.554 -33.7592 GPRESSURE: 1590200 -380.723 -68.4887 -0.789745 15.3136 -314.178 107.743 -78.3563 132.601 -4.40172 PRESSAVG: 1590200 19.0213 -66.3582 11.0313 -66.3582 -7.51199 26.4705 11.0313 26.4705 7.45889 GPRESSAVG: 1590200 19.4312 -66.2775 10.7347 -65.8911 -7.12354 24.9696 10.3363 28.7143 6.47139 TIMING: 1590200 CPU: 5010.17, 0.00316223/step Wall: 5010.17, 0.00316223/step, 2.99516 hours remaining, 238.191406 MB of memory in use. ENERGY: 1590200 4052.6268 20475.9872 14478.6367 243.7834 -203423.5122 2444.2481 0.0000 0.0000 52231.9822 -109496.2479 300.1779 -161728.2300 -109133.2512 300.0882 -264.1491 -233.1008 762598.0317 6.3227 6.2597 PRESSURE: 1590400 181.894 -138.086 -34.7726 -138.087 -111.272 -109.851 -34.7725 -109.85 -40.9143 GPRESSURE: 1590400 260.229 -206.872 -12.9031 -192.133 -104.36 -121.941 -1.95629 -228.315 -21.0504 PRESSAVG: 1590400 51.1635 -48.1053 22.7398 -48.1053 -30.7401 -24.5131 22.7399 -24.513 -5.94301 GPRESSAVG: 1590400 50.7856 -45.9795 23.4811 -47.9363 -30.1944 -23.192 22.6035 -24.2567 -5.80855 TIMING: 1590400 CPU: 5010.8, 0.00313349/step Wall: 5010.8, 0.00313349/step, 2.96776 hours remaining, 238.191406 MB of memory in use. ENERGY: 1590400 4010.5520 20546.1095 14461.4655 249.1370 -203431.2839 2546.1497 0.0000 0.0000 52163.7769 -109454.0932 299.7859 -161617.8701 -109090.5426 299.7619 9.9025 44.9394 761334.0055 4.8268 4.9276 PRESSURE: 1590600 -253.195 -117.499 72.305 -117.499 -82.0296 183.499 72.3057 183.499 -157.916 GPRESSURE: 1590600 -188.21 -8.6945 129.618 24.115 -14.445 240.93 23.1903 129.041 -203.9 PRESSAVG: 1590600 21.9488 -24.7791 13.4443 -24.779 2.73694 -13.9739 13.4443 -13.9738 -31.5229 GPRESSAVG: 1590600 20.7082 -25.181 13.6829 -24.8918 2.1997 -15.1704 11.7771 -15.7212 -30.6543 TIMING: 1590600 CPU: 5011.43, 0.00315695/step Wall: 5011.43, 0.00315695/step, 2.9898 hours remaining, 238.191406 MB of memory in use. ENERGY: 1590600 4068.9199 20586.2828 14462.3282 249.6459 -203177.4806 2269.6936 0.0000 0.0000 52083.4640 -109457.1463 299.3244 -161540.6102 -109094.5603 299.3028 -164.3803 -135.5184 761254.7047 -2.2790 -2.5821 PRESSURE: 1590800 -22.9407 -3.94017 -62.9703 -3.94065 225.371 47.6269 -62.9699 47.6267 105.414 GPRESSURE: 1590800 28.0339 -78.2987 -193.974 12.4829 225.768 15.2396 -8.31605 67.9632 135.027 PRESSAVG: 1590800 22.6747 -37.8389 -17.9819 -37.839 -2.75594 -40.9694 -17.9819 -40.9695 11.887 GPRESSAVG: 1590800 22.6502 -37.707 -19.4776 -37.2547 -2.88383 -39.787 -15.613 -39.7512 11.6044 TIMING: 1590800 CPU: 5012.06, 0.00314041/step Wall: 5012.06, 0.00314041/step, 2.97397 hours remaining, 238.191406 MB of memory in use. ENERGY: 1590800 4070.0987 20557.5074 14518.0660 268.7168 -203671.5568 2754.8446 0.0000 0.0000 52088.2175 -109414.1058 299.3517 -161502.3233 -109046.4046 300.3292 102.6150 129.6095 761525.5167 10.6019 10.4569 PRESSURE: 1591000 139.964 -101.726 -57.8366 -101.726 -296.348 -32.0563 -57.836 -32.0558 123.047 GPRESSURE: 1591000 159.207 -69.8337 -67.5291 -77.8962 -298.09 -7.67895 3.47252 -46.944 184.068 PRESSAVG: 1591000 58.5114 1.41637 8.99607 1.41639 -49.812 -33.0178 8.99598 -33.0177 4.81379 GPRESSAVG: 1591000 58.4016 1.3454 9.29893 2.00572 -50.3082 -33.0417 8.06117 -31.8162 5.60654 TIMING: 1591000 CPU: 5012.69, 0.00313691/step Wall: 5012.69, 0.00313691/step, 2.97047 hours remaining, 238.191406 MB of memory in use. ENERGY: 1591000 3911.4908 20596.5669 14533.0588 245.7572 -203564.3093 2792.0031 0.0000 0.0000 52240.0824 -109245.3501 300.2245 -161485.4326 -108885.6648 299.8627 -11.1122 15.0617 763531.3489 4.5044 4.5666 PRESSURE: 1591200 361.666 112.18 -15.4415 112.181 331.429 -87.1358 -15.4412 -87.1354 754.735 GPRESSURE: 1591200 428.711 94.6387 9.06699 117.208 351.749 -194.646 -69.4304 -105.933 764.263 PRESSAVG: 1591200 -15.8141 -5.15867 12.2482 -5.15868 0.435638 -13.8803 12.2482 -13.8804 -7.18017 GPRESSAVG: 1591200 -14.9218 -5.90201 12.3804 -5.02761 1.22024 -14.3063 11.5552 -14.964 -8.45451 TIMING: 1591200 CPU: 5013.32, 0.00314566/step Wall: 5013.32, 0.00314566/step, 2.97859 hours remaining, 238.191406 MB of memory in use. ENERGY: 1591200 3888.4361 20770.3254 14511.1096 259.1660 -203854.8452 3062.1413 0.0000 0.0000 52345.4188 -109018.2479 300.8298 -161363.6668 -108664.1724 299.8635 482.6101 514.9079 758720.9844 -7.5195 -7.3854 PRESSURE: 1591400 78.2023 -31.7559 -256.515 -31.7563 307.051 105.155 -256.515 105.154 -287.37 GPRESSURE: 1591400 91.9116 -108.616 -298.762 31.8173 266.086 55.3871 -253.549 149.483 -168.501 PRESSAVG: 1591400 12.0844 -46.3522 18.3344 -46.3522 -11.7204 -32.8851 18.3344 -32.8851 18.6254 GPRESSAVG: 1591400 12.3419 -45.0496 16.8953 -48.4708 -11.3682 -33.2801 21.2406 -31.3114 18.0043 TIMING: 1591400 CPU: 5013.94, 0.00312843/step Wall: 5013.94, 0.00312843/step, 2.9621 hours remaining, 238.191406 MB of memory in use. ENERGY: 1591400 3994.1198 20527.0402 14496.7811 238.6715 -203128.0106 2342.8043 0.0000 0.0000 52514.2775 -109014.3162 301.8003 -161528.5936 -108644.1117 300.6985 32.6278 63.1655 759446.2650 6.3298 6.3260 PRESSURE: 1591600 -67.9855 91.2204 -142.875 91.2197 130.202 -91.9845 -142.875 -91.9849 6.20315 GPRESSURE: 1591600 -53.0931 134.116 -157.174 242.839 151.824 -70.9684 -112.927 -100.838 39.9252 PRESSAVG: 1591600 -44.6412 8.86404 -61.4022 8.86406 31.55 10.5802 -61.4022 10.5802 15.7007 GPRESSAVG: 1591600 -44.5907 10.1001 -59.9108 11.3422 30.4533 10.9978 -62.5163 9.08899 17.1055 TIMING: 1591600 CPU: 5014.57, 0.00313108/step Wall: 5014.57, 0.00313108/step, 2.96443 hours remaining, 238.191406 MB of memory in use. ENERGY: 1591600 3996.5594 20453.3500 14514.8262 249.2397 -203120.5986 2386.9513 0.0000 0.0000 52447.9954 -109071.6765 301.4194 -161519.6720 -108706.4260 300.3415 22.8067 46.2187 760660.6075 0.8698 0.9894 PRESSURE: 1591800 329.311 -225.696 -68.2265 -225.696 33.7672 37.2076 -68.2256 37.209 276.535 GPRESSURE: 1591800 349.732 -226.304 -160.903 -135.846 94.2464 36.6808 -159.49 -3.00602 272.038 PRESSAVG: 1591800 -20.3519 -64.7458 46.6376 -64.7458 33.2393 -43.8711 46.6376 -43.8711 -3.33375 GPRESSAVG: 1591800 -19.661 -66.4684 46.897 -64.9586 33.4797 -42.531 45.9298 -45.1508 -4.31971 TIMING: 1591800 CPU: 5015.2, 0.00314198/step Wall: 5015.2, 0.00314198/step, 2.97459 hours remaining, 238.191406 MB of memory in use. ENERGY: 1591800 4035.1979 20550.6320 14503.6655 273.5621 -203393.2699 2646.1743 0.0000 0.0000 52356.8119 -109027.2262 300.8953 -161384.0381 -108661.5497 300.5516 213.2044 238.6719 761088.4702 3.1846 3.1663 PRESSURE: 1592000 -110.206 65.8323 129.348 65.832 318.612 99.392 129.348 99.3919 431.352 GPRESSURE: 1592000 -109.151 10.543 159.635 -73.0651 352.239 61.9907 98.6578 165.368 497.732 PRESSAVG: 1592000 -33.724 -75.413 13.4253 -75.4131 30.5171 -10.8802 13.4254 -10.8802 3.56047 GPRESSAVG: 1592000 -33.9767 -74.9875 11.6426 -75.5861 30.5949 -12.498 14.6508 -8.97919 3.55604 TIMING: 1592000 CPU: 5015.83, 0.00316642/step Wall: 5015.83, 0.00316642/step, 2.99755 hours remaining, 238.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1592000 3912.0919 20558.1258 14549.3508 231.6630 -203274.3688 2454.6746 0.0000 0.0000 52388.1502 -109180.3125 301.0754 -161568.4627 -108813.3009 300.4577 213.2526 246.9397 758236.5573 0.1179 0.0581 PRESSURE: 1592200 -451.674 41.6594 7.79974 41.6582 -259.446 -22.9203 7.80054 -22.9198 -111.847 GPRESSURE: 1592200 -462.019 -92.0912 19.3672 12.2146 -141.031 -64.0344 136.128 -43.293 -142.867 PRESSAVG: 1592200 -38.9452 -6.77147 65.4955 -6.77142 6.22161 16.2996 65.4955 16.2996 -7.49918 GPRESSAVG: 1592200 -39.8409 -7.62764 67.0205 -6.07431 6.70219 18.6809 65.7332 14.2886 -7.0641 TIMING: 1592200 CPU: 5016.46, 0.00315066/step Wall: 5016.46, 0.00315066/step, 2.98245 hours remaining, 238.191406 MB of memory in use. ENERGY: 1592200 3942.3036 20647.9503 14437.1679 260.1977 -202613.8620 1924.0906 0.0000 0.0000 52032.2748 -109369.8770 299.0302 -161402.1518 -109009.7345 300.1925 -274.3221 -248.6389 761494.6233 -13.4076 -13.4009 LDB: ============= START OF LOAD BALANCING ============== 5028.86 LDB: ============== END OF LOAD BALANCING =============== 5028.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5028.86 LDB: ============= START OF LOAD BALANCING ============== 5029.18 LDB: Largest compute 7062 load 0.032575 is 16.6% of average load 0.196029 LDB: Average compute 0.004379 is 2.2% of average load 0.196029 LDB: TIME 5029.18 LOAD: AVG 0.196029 MAX 0.216501 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.508 MB LDB: TIME 5029.18 LOAD: AVG 0.196029 MAX 0.216501 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.582 MB LDB: TIME 5029.18 LOAD: AVG 0.196029 MAX 0.216501 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.582 MB LDB: ============== END OF LOAD BALANCING =============== 5029.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5029.19 PRESSURE: 1592400 13.1158 -56.6348 -172.001 -56.6345 -148.876 30.4592 -172.001 30.459 126.852 GPRESSURE: 1592400 22.2774 -56.5605 -66.1005 112.669 -38.9721 -45.3876 -76.1942 120.183 81.3042 PRESSAVG: 1592400 37.1387 -20.6028 -14.5595 -20.6027 -4.36338 -12.1667 -14.5595 -12.1669 -18.6549 GPRESSAVG: 1592400 35.8813 -18.1832 -15.0423 -22.9843 -4.73904 -13.9385 -14.7178 -10.7869 -17.9441 TIMING: 1592400 CPU: 5017.1, 0.00321574/step Wall: 5017.1, 0.00321574/step, 3.04387 hours remaining, 237.566406 MB of memory in use. ENERGY: 1592400 4035.6254 20678.3298 14465.1305 226.2292 -203299.9187 2340.2706 0.0000 0.0000 52035.9924 -109518.3410 299.0516 -161554.3333 -109162.3292 299.0967 -2.9695 21.5365 761077.0031 4.7068 4.3994 PRESSURE: 1592600 -39.5274 -176.065 44.7347 -176.064 161.998 -202.017 44.7345 -202.017 478.053 GPRESSURE: 1592600 41.5418 -114.081 149.459 -119.112 185.633 -267.431 120.798 -199.461 471.207 PRESSAVG: 1592600 -67.8038 -6.26713 1.50637 -6.26716 11.4804 -19.8744 1.50635 -19.8743 14.9731 GPRESSAVG: 1592600 -66.8959 -7.7561 2.70636 -6.33951 10.6644 -20.0565 0.990192 -20.0074 15.5686 TIMING: 1592600 CPU: 5017.73, 0.00314191/step Wall: 5017.73, 0.00314191/step, 2.97382 hours remaining, 237.566406 MB of memory in use. ENERGY: 1592600 3994.8212 20492.0040 14507.5066 223.7171 -203801.8066 2847.1625 0.0000 0.0000 52055.3783 -109681.2170 299.1630 -161736.5952 -109324.2988 299.2700 200.1746 232.7940 760913.4032 -13.7834 -13.5543 PRESSURE: 1592800 55.3695 -67.0797 38.6636 -67.0794 10.0639 -358.687 38.6641 -358.686 135.038 GPRESSURE: 1592800 46.3082 -72.6103 -34.2151 -54.152 41.4142 -321.755 35.9264 -292.427 177.391 PRESSAVG: 1592800 -40.1576 -52.7589 -16.7658 -52.7589 -11.8411 -47.377 -16.7659 -47.377 -2.89773 GPRESSAVG: 1592800 -40.1375 -55.3521 -18.1102 -50.9657 -11.5035 -47.4784 -15.9663 -45.9973 -4.32935 TIMING: 1592800 CPU: 5018.36, 0.00313506/step Wall: 5018.36, 0.00313506/step, 2.96716 hours remaining, 237.566406 MB of memory in use. ENERGY: 1592800 3880.1967 20568.2701 14504.7814 238.2468 -203704.9392 2595.5074 0.0000 0.0000 52432.6484 -109485.2885 301.3312 -161917.9369 -109112.4801 299.4209 66.8238 88.3713 760840.2689 -18.2988 -18.6568 PRESSURE: 1593000 154.287 107.346 -109.327 107.347 -282.988 59.3178 -109.326 59.3174 -142.183 GPRESSURE: 1593000 119.284 118.188 -157.008 50.6088 -183.722 83.9272 -72.929 74.0502 -138.609 PRESSAVG: 1593000 31.6033 -0.303179 -55.3696 -0.303088 -22.2227 -16.8205 -55.3696 -16.8206 31.1029 GPRESSAVG: 1593000 32.2503 4.47154 -54.8686 -1.46404 -23.4518 -15.1779 -56.3033 -19.5925 31.8459 TIMING: 1593000 CPU: 5018.99, 0.0031558/step Wall: 5018.99, 0.0031558/step, 2.98661 hours remaining, 237.566406 MB of memory in use. ENERGY: 1593000 3974.8121 20672.3987 14456.7016 242.2811 -203308.2895 2481.0883 0.0000 0.0000 51871.9246 -109609.0831 298.1087 -161481.0077 -109251.3443 299.5789 -90.2948 -67.6823 760895.3205 13.4945 13.5482 PRESSURE: 1593200 -130.712 245.365 -125.756 245.364 -248.657 -155.443 -125.756 -155.442 171.772 GPRESSURE: 1593200 -124.773 120.99 -72.6843 60.2592 -144.374 -213.859 -80.5812 9.41249 154.023 PRESSAVG: 1593200 25.4393 14.5949 -24.2876 14.5949 4.14051 -69.993 -24.2876 -69.993 -18.6604 GPRESSAVG: 1593200 24.5678 13.6433 -24.5665 13.6154 5.73241 -70.0128 -22.8819 -67.2384 -18.8102 TIMING: 1593200 CPU: 5019.62, 0.00313999/step Wall: 5019.62, 0.00313999/step, 2.97148 hours remaining, 237.566406 MB of memory in use. ENERGY: 1593200 4052.9266 20384.5305 14487.4242 237.7083 -203354.7183 2411.6637 0.0000 0.0000 52204.1139 -109576.3511 300.0178 -161780.4650 -109220.4111 299.1753 -69.1991 -38.3748 760643.0553 3.6398 3.8300 PRESSURE: 1593400 -171.782 41.4567 -268.509 41.4565 33.7034 -3.58277 -268.511 -3.58312 377.974 GPRESSURE: 1593400 -146.232 -103.684 -253.284 182.85 77.035 -44.9428 -101.049 18.5896 381.546 PRESSAVG: 1593400 -33.2682 36.613 -13.6801 36.613 53.7067 -22.2232 -13.6802 -22.2232 25.0808 GPRESSAVG: 1593400 -33.7205 34.2436 -12.627 37.9833 53.5683 -21.6546 -16.7007 -24.1 25.8302 TIMING: 1593400 CPU: 5020.25, 0.00317255/step Wall: 5020.25, 0.00317255/step, 3.00211 hours remaining, 237.566406 MB of memory in use. ENERGY: 1593400 3913.0448 20460.7753 14508.9601 262.8030 -203755.1498 2653.0056 0.0000 0.0000 52242.8427 -109713.7183 300.2403 -161956.5610 -109344.5148 299.1249 79.9650 104.1164 762862.2655 15.1731 15.2260 PRESSURE: 1593600 -189.592 -227.601 156.672 -227.602 -67.3062 168.311 156.671 168.311 -446.457 GPRESSURE: 1593600 -182.892 -82.1085 94.1306 -153.578 -66.11 193.511 38.8863 12.7045 -365.706 PRESSAVG: 1593600 -25.7413 4.83697 29.0888 4.8369 84.1803 -24.1681 29.0887 -24.1681 -18.5662 GPRESSAVG: 1593600 -25.0272 6.94724 28.0925 3.51911 83.1202 -24.7483 30.3928 -24.4366 -18.4017 TIMING: 1593600 CPU: 5020.89, 0.00317803/step Wall: 5020.89, 0.00317803/step, 3.00712 hours remaining, 237.566406 MB of memory in use. ENERGY: 1593600 3953.8079 20496.4465 14470.2778 244.0360 -203623.3016 2559.2525 0.0000 0.0000 52233.1992 -109666.2818 300.1849 -161899.4809 -109302.3276 299.1640 -234.4518 -204.9027 761246.7090 13.2909 13.2304 PRESSURE: 1593800 -249.08 -59.8596 123.876 -59.859 -165.133 -16.4479 123.877 -16.4476 -276.792 GPRESSURE: 1593800 -296.012 -59.7044 174.864 -22.0084 -43.0274 -13.1785 74.2664 23.9178 -259.051 PRESSAVG: 1593800 -103.47 -20.2443 -1.6606 -20.2443 97.8949 45.2129 -1.66057 45.2129 -17.4281 GPRESSAVG: 1593800 -103.442 -22.0825 -1.93684 -19.4066 98.1436 44.2582 -2.63653 45.572 -18.101 TIMING: 1593800 CPU: 5021.52, 0.00315258/step Wall: 5021.52, 0.00315259/step, 2.98287 hours remaining, 237.566406 MB of memory in use. ENERGY: 1593800 3977.6059 20536.5437 14384.1088 254.5985 -203650.7473 2526.7080 0.0000 0.0000 52425.9649 -109545.2174 301.2927 -161971.1823 -109178.3117 299.0644 -230.3349 -199.3633 762300.1786 -7.6677 -7.7997 PRESSURE: 1594000 -48.1654 -34.2496 213.818 -34.2498 -424.612 -168.056 213.818 -168.056 -87.9074 GPRESSURE: 1594000 -85.5665 -149.149 307.404 125.579 -324.885 -201.785 120.509 -151.311 -55.683 PRESSAVG: 1594000 -85.0965 -7.03143 -27.1342 -7.03138 53.1526 14.5692 -27.1342 14.5693 -2.03539 GPRESSAVG: 1594000 -86.2116 -7.74582 -28.5737 -6.70102 54.5823 14.4797 -25.5131 14.8058 -2.62359 TIMING: 1594000 CPU: 5022.15, 0.003162/step Wall: 5022.15, 0.003162/step, 2.99161 hours remaining, 237.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1594000 4041.2043 20530.8163 14434.6732 243.5443 -203771.1553 2965.7078 0.0000 0.0000 52024.7824 -109530.4271 298.9871 -161555.2095 -109182.4366 299.5201 -186.8949 -155.3783 762090.4362 -11.3264 -11.4176 PRESSURE: 1594200 -128.966 73.6016 67.097 73.6018 -138.51 7.94133 67.098 7.94007 -809.939 GPRESSURE: 1594200 -58.5712 26.3253 61.5572 47.6855 -65.137 78.828 -137.509 -20.4419 -846.297 PRESSAVG: 1594200 -34.7604 -8.1518 -24.1573 -8.15179 51.9703 19.8693 -24.1573 19.8694 11.4062 GPRESSAVG: 1594200 -33.573 -7.70432 -22.5858 -8.6088 51.3395 18.6922 -25.0049 21.9001 10.8185 TIMING: 1594200 CPU: 5022.78, 0.00313584/step Wall: 5022.78, 0.00313584/step, 2.96667 hours remaining, 237.566406 MB of memory in use. ENERGY: 1594200 4040.7029 20693.6039 14462.9340 236.8855 -203626.4836 2633.9100 0.0000 0.0000 51953.9981 -109604.4492 298.5803 -161558.4473 -109239.1539 299.3593 -359.1384 -323.3352 761676.0542 9.5387 9.5283 PRESSURE: 1594400 -101.502 44.4494 4.10539 44.4498 131.334 178.963 4.10603 178.963 25.7345 GPRESSURE: 1594400 -28.5265 161.479 -132.457 129.237 150.247 206.957 34.3588 130.084 8.49677 PRESSAVG: 1594400 35.453 -51.6802 -2.36601 -51.6801 -29.4249 45.9482 -2.36603 45.9482 21.3131 GPRESSAVG: 1594400 33.9192 -51.261 -3.21844 -50.3561 -29.2342 48.5439 -1.57532 42.2629 22.6432 TIMING: 1594400 CPU: 5023.41, 0.00313598/step Wall: 5023.41, 0.00313598/step, 2.96663 hours remaining, 237.566406 MB of memory in use. ENERGY: 1594400 3996.3932 20572.8123 14355.5572 254.3106 -203405.7353 2440.8269 0.0000 0.0000 51958.9233 -109826.9117 298.6086 -161785.8351 -109450.7533 299.0125 18.5221 43.4056 760578.6497 9.1137 9.1094 PRESSURE: 1594600 20.3784 -43.3266 109.708 -43.3263 83.1393 -124.103 109.707 -124.102 171.396 GPRESSURE: 1594600 51.6472 -47.2474 102.222 -87.8801 171.805 -131.687 22.5067 -173.9 143.572 PRESSAVG: 1594600 56.5754 -17.5266 -14.3806 -17.5266 -60.485 -11.0025 -14.3806 -11.0025 20.7879 GPRESSAVG: 1594600 57.403 -17.3937 -14.1107 -19.1088 -61.0431 -11.9865 -13.7475 -9.92201 20.3973 TIMING: 1594600 CPU: 5024.03, 0.00314127/step Wall: 5024.03, 0.00314127/step, 2.97146 hours remaining, 237.566406 MB of memory in use. ENERGY: 1594600 4024.5935 20435.1205 14489.6789 238.2326 -203810.1946 2829.2704 0.0000 0.0000 52143.7461 -109649.5527 299.6708 -161793.2988 -109286.1824 298.8097 91.6381 122.3416 759697.4269 5.6261 5.5857 PRESSURE: 1594800 365.193 160.103 144.062 160.103 48.4235 -249.411 144.062 -249.41 132.934 GPRESSURE: 1594800 362.429 161.346 94.1026 151.128 59.6962 -85.7345 77.1747 -328.617 185.228 PRESSAVG: 1594800 20.6905 13.157 10.2552 13.157 29.6087 -51.0455 10.2552 -51.0455 25.8528 GPRESSAVG: 1594800 22.6307 15.0071 11.1981 12.0921 28.5831 -52.2514 10.4906 -50.1237 25.0246 TIMING: 1594800 CPU: 5024.67, 0.00318641/step Wall: 5024.67, 0.00318641/step, 3.01399 hours remaining, 237.566406 MB of memory in use. ENERGY: 1594800 3966.2217 20608.0342 14474.6599 255.7028 -203616.3928 2484.0585 0.0000 0.0000 52065.9769 -109761.7388 299.2239 -161827.7157 -109402.7364 299.1877 182.1835 202.4512 762093.5072 25.3840 25.4128 PRESSURE: 1595000 -332.006 -17.251 -132.777 -17.2506 23.6457 82.351 -132.777 82.352 -132.882 GPRESSURE: 1595000 -273.66 42.847 -102.823 -20.7233 -18.9183 105.592 -126.851 48.7996 -88.717 PRESSAVG: 1595000 30.1027 -20.2863 8.66391 -20.2863 -41.9943 -36.3052 8.66394 -36.3052 0.711697 GPRESSAVG: 1595000 29.2802 -22.8471 9.1536 -18.9017 -41.9804 -35.6326 9.65545 -36.6946 1.32352 TIMING: 1595000 CPU: 5025.3, 0.0031626/step Wall: 5025.3, 0.0031626/step, 2.9913 hours remaining, 237.566406 MB of memory in use. ENERGY: 1595000 3866.3604 20448.7490 14469.6582 239.3352 -203472.6934 2515.8115 0.0000 0.0000 52281.7112 -109651.0679 300.4637 -161932.7791 -109275.3791 299.2075 -147.0809 -127.0983 762749.3289 -3.7266 -3.7922 PRESSURE: 1595200 -624.273 -41.5543 138.695 -41.555 -670.812 162.192 138.694 162.191 -33.523 GPRESSURE: 1595200 -573.555 -13.1018 173.63 86.0269 -583.803 134.005 -30.1078 25.8532 -101.294 PRESSAVG: 1595200 -57.9178 1.05016 39.193 1.0502 20.1514 -0.86428 39.1931 -0.86419 -12.9803 GPRESSAVG: 1595200 -58.5932 3.49063 38.2007 2.31721 20.3044 0.878408 38.8164 -2.86613 -12.4863 TIMING: 1595200 CPU: 5025.94, 0.00315783/step Wall: 5025.94, 0.00315783/step, 2.9866 hours remaining, 237.566406 MB of memory in use. ENERGY: 1595200 4086.1617 20582.1510 14458.6031 246.7036 -203032.0957 2267.5443 0.0000 0.0000 51828.4517 -109562.4804 297.8588 -161390.9320 -109199.0742 299.2986 -442.8693 -419.5507 763305.8444 -16.9156 -16.9251 PRESSURE: 1595400 -58.4896 -236.864 -124.859 -236.864 84.9538 -176.218 -124.858 -176.219 -212.532 GPRESSURE: 1595400 9.60666 -49.6263 -61.4927 -379.576 46.144 -193.587 -17.2431 -132.802 -175.531 PRESSAVG: 1595400 -55.6694 -37.3819 10.3817 -37.3819 -12.7351 -32.6902 10.3817 -32.6902 18.7187 GPRESSAVG: 1595400 -55.7961 -39.0948 11.5968 -38.318 -11.9392 -33.7671 8.75728 -30.0545 18.5149 TIMING: 1595400 CPU: 5026.56, 0.0031389/step Wall: 5026.56, 0.0031389/step, 2.96853 hours remaining, 237.566406 MB of memory in use. ENERGY: 1595400 3993.5289 20382.2141 14470.2036 232.5175 -203540.0866 2771.6650 0.0000 0.0000 52025.2550 -109664.7025 298.9899 -161689.9574 -109307.4539 299.3409 -62.0224 -39.9266 761860.6276 -16.5619 -16.4068 PRESSURE: 1595600 181.358 33.2529 -194.594 33.2525 -99.8417 -103.763 -194.595 -103.763 -365.212 GPRESSURE: 1595600 198.225 68.1697 -221.693 -41.4777 -42.2665 -183.644 -171.041 -112.412 -359.222 PRESSAVG: 1595600 -3.6253 -34.5401 -22.4606 -34.5401 33.4531 -13.0396 -22.4606 -13.0397 -20.3151 GPRESSAVG: 1595600 -3.60567 -34.7647 -22.6129 -34.9052 33.0083 -12.0775 -20.979 -13.0056 -20.3169 TIMING: 1595600 CPU: 5027.19, 0.00314402/step Wall: 5027.19, 0.00314402/step, 2.97319 hours remaining, 237.566406 MB of memory in use. ENERGY: 1595600 3989.3515 20372.6253 14467.6279 248.8205 -203782.5341 2733.1797 0.0000 0.0000 52208.7749 -109762.1544 300.0445 -161970.9293 -109400.1064 298.3072 -94.5651 -67.7547 762602.3513 3.1709 3.0286 PRESSURE: 1595800 -149.444 9.41381 23.6404 9.41485 -222.606 -6.43871 23.6402 -6.43956 -275.281 GPRESSURE: 1595800 -152.363 30.5942 61.338 43.8181 -220.602 -108.387 60.4462 -2.62467 -205.246 PRESSAVG: 1595800 6.2766 -5.91943 53.6312 -5.91942 31.8936 35.5674 53.6312 35.5674 -1.59272 GPRESSAVG: 1595800 7.36599 -6.12954 53.2577 -5.96541 31.0378 35.4371 53.9318 35.8183 -2.02551 TIMING: 1595800 CPU: 5027.82, 0.00315965/step Wall: 5027.82, 0.00315965/step, 2.9878 hours remaining, 237.566406 MB of memory in use. ENERGY: 1595800 3956.9134 20635.5298 14519.4957 260.6554 -203399.8935 2452.1309 0.0000 0.0000 51965.7155 -109609.4528 298.6477 -161575.1684 -109249.9721 299.0338 -215.7769 -192.7367 761704.3300 12.1925 12.1261 PRESSURE: 1596000 -157.028 49.9978 -82.6596 49.9982 -413.778 71.4399 -82.6599 71.4403 -357.074 GPRESSURE: 1596000 -102.623 6.61461 -75.82 6.50911 -367.085 -11.7517 -139.156 96.8147 -377.537 PRESSAVG: 1596000 -20.2681 -51.6504 -71.3693 -51.6505 -24.0669 68.6967 -71.3693 68.6967 6.65147 GPRESSAVG: 1596000 -21.7879 -52.1471 -69.8485 -52.0637 -22.7087 68.1199 -72.4697 66.7633 7.41359 TIMING: 1596000 CPU: 5028.45, 0.00314318/step Wall: 5028.45, 0.00314318/step, 2.97205 hours remaining, 237.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1596000 4011.5617 20601.5158 14602.2119 260.0374 -203251.3594 2365.3639 0.0000 0.0000 52051.8435 -109358.8253 299.1427 -161410.6687 -109001.6207 299.4968 -309.2931 -282.4154 762414.2553 -12.5612 -12.3610 PRESSURE: 1596200 -562.158 -17.6396 122.897 -17.6396 -235.953 199.065 122.896 199.064 393.993 GPRESSURE: 1596200 -417.851 -40.2091 171.96 -203.401 -203.039 105.827 118.296 99.9057 323.75 PRESSAVG: 1596200 27.9453 -57.8903 -26.9868 -57.8903 12.2719 24.4224 -26.9867 24.4225 8.07388 GPRESSAVG: 1596200 28.4544 -56.5406 -29.0057 -59.609 12.851 26.7715 -27.6452 22.6501 7.71515 TIMING: 1596200 CPU: 5029.08, 0.00312811/step Wall: 5029.08, 0.0031281/step, 2.95762 hours remaining, 237.566406 MB of memory in use. ENERGY: 1596200 3988.8099 20475.9017 14517.6084 268.1066 -203482.1803 2715.2323 0.0000 0.0000 52197.2103 -109319.3112 299.9781 -161516.5215 -108947.7399 299.5264 -134.7061 -99.0465 763102.1308 16.0970 16.3402 LDB: ============= START OF LOAD BALANCING ============== 5041.48 LDB: ============== END OF LOAD BALANCING =============== 5041.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5041.48 LDB: ============= START OF LOAD BALANCING ============== 5041.79 LDB: Largest compute 7060 load 0.031203 is 15.9% of average load 0.196030 LDB: Average compute 0.004388 is 2.2% of average load 0.196030 LDB: TIME 5041.8 LOAD: AVG 0.19603 MAX 0.21427 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.129 MB LDB: TIME 5041.8 LOAD: AVG 0.19603 MAX 0.21427 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.332 MB LDB: TIME 5041.8 LOAD: AVG 0.19603 MAX 0.21427 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.332 MB LDB: ============== END OF LOAD BALANCING =============== 5041.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5041.8 PRESSURE: 1596400 132.179 161.069 5.52645 161.069 139.684 13.626 5.52673 13.6264 -12.0624 GPRESSURE: 1596400 183.412 123.409 -64.9163 176.577 145.793 0.207377 24.6811 -10.9558 18.1722 PRESSAVG: 1596400 47.5436 17.5245 -9.21222 17.5245 -9.15433 9.93853 -9.21223 9.93854 2.1363 GPRESSAVG: 1596400 47.0018 16.3016 -8.67656 19.0391 -8.93853 7.47415 -9.15274 11.6552 2.3324 TIMING: 1596400 CPU: 5029.72, 0.00321989/step Wall: 5029.72, 0.00321989/step, 3.04423 hours remaining, 239.179688 MB of memory in use. ENERGY: 1596400 3923.5281 20532.0290 14538.6230 253.6123 -203948.8235 2995.2442 0.0000 0.0000 52348.3693 -109357.4175 300.8468 -161705.7868 -108981.8119 299.7377 86.6002 115.7922 761654.4579 13.5085 13.4652 PRESSURE: 1596600 122.256 -36.7733 -62.9042 -36.7738 288.897 -55.2636 -62.9043 -55.2637 113.442 GPRESSURE: 1596600 207.247 66.181 -46.4823 -78.9035 259.639 -57.2478 41.8991 -33.722 148.101 PRESSAVG: 1596600 -14.7632 -1.83665 6.36933 -1.8367 -10.185 40.8331 6.36938 40.8332 -4.83188 GPRESSAVG: 1596600 -13.5762 -0.238542 5.73158 0.593615 -10.9945 41.2718 8.4183 41.6701 -5.93537 TIMING: 1596600 CPU: 5030.35, 0.00311673/step Wall: 5030.35, 0.00311673/step, 2.94652 hours remaining, 239.179688 MB of memory in use. ENERGY: 1596600 3907.7383 20722.6752 14366.5823 257.3870 -203324.3536 2463.5110 0.0000 0.0000 52182.4224 -109424.0375 299.8931 -161606.4599 -109072.7249 299.4112 174.8650 204.9955 762423.1490 -9.9267 -10.1687 PRESSURE: 1596800 -64.3289 35.7071 -157.891 35.7076 -79.2131 -121.51 -157.891 -121.51 21.3853 GPRESSURE: 1596800 0.179865 -14.7924 -69.8928 55.5345 -75.5526 -244.807 -158.279 57.4458 44.6124 PRESSAVG: 1596800 -16.5029 -26.1526 -4.21369 -26.1526 26.6518 53.8237 -4.21374 53.8236 1.27493 GPRESSAVG: 1596800 -18.224 -27.4741 -2.57384 -27.8207 27.9842 54.672 -7.4521 52.5666 1.69097 TIMING: 1596800 CPU: 5030.97, 0.00314592/step Wall: 5030.97, 0.00314592/step, 2.97394 hours remaining, 239.179688 MB of memory in use. ENERGY: 1596800 4031.1776 20698.6343 14468.7621 240.8086 -203479.1120 2819.2063 0.0000 0.0000 51976.8894 -109243.6337 298.7119 -161220.5231 -108890.8533 299.5944 -40.7189 -10.2534 762071.1067 3.8080 3.8170 PRESSURE: 1597000 83.962 -126.452 -129.468 -126.452 118.035 -52.461 -129.468 -52.4604 -63.5368 GPRESSURE: 1597000 136.363 -62.2556 -92.7704 -150.239 171.085 -3.48242 -166.104 -105.131 -76.7345 PRESSAVG: 1597000 19.203 -38.6969 -7.32873 -38.697 -23.1971 -50.8848 -7.32873 -50.8848 11.6917 GPRESSAVG: 1597000 19.9693 -39.0548 -8.00856 -37.2407 -25.6554 -51.3542 -4.04974 -50.5423 12.7964 TIMING: 1597000 CPU: 5031.61, 0.00315581/step Wall: 5031.61, 0.00315581/step, 2.98312 hours remaining, 239.179688 MB of memory in use. ENERGY: 1597000 3994.6759 20605.1237 14430.3713 239.3734 -203301.6007 2519.8288 0.0000 0.0000 52127.1393 -109385.0883 299.5754 -161512.2276 -109025.0370 300.0683 46.1534 76.9045 761042.9907 2.5659 2.3701 PRESSURE: 1597200 -141.41 -16.0693 49.7161 -16.0694 -172.613 164.206 49.7165 164.206 -239.674 GPRESSURE: 1597200 -42.2214 36.3057 28.7515 -81.9414 -236.28 137.592 -164.364 202.967 -193.148 PRESSAVG: 1597200 33.8054 -8.94378 -3.8129 -8.94376 -30.698 -20.455 -3.81281 -20.455 13.9937 GPRESSAVG: 1597200 33.8577 -7.45926 -4.40841 -8.4056 -29.8357 -20.4138 -5.39454 -20.0922 13.9239 TIMING: 1597200 CPU: 5032.24, 0.00315212/step Wall: 5032.24, 0.00315212/step, 2.97945 hours remaining, 239.179688 MB of memory in use. ENERGY: 1597200 4022.6429 20470.4068 14459.9610 257.9487 -203238.8039 2389.5238 0.0000 0.0000 52170.8288 -109467.4918 299.8265 -161638.3206 -109114.9045 299.4571 -184.5657 -157.2164 761310.4590 5.7004 5.9820 PRESSURE: 1597400 -307.69 61.7735 123.583 61.7727 130.213 -104.764 123.583 -104.763 89.3994 GPRESSURE: 1597400 -181.969 59.5672 90.8383 8.82162 56.3336 -197.088 54.8755 -3.20218 91.3823 PRESSAVG: 1597400 34.1764 -53.2975 6.76921 -53.2975 -1.83337 6.30018 6.76918 6.30024 -4.67012 GPRESSAVG: 1597400 33.6452 -52.9029 6.53515 -54.4426 -3.49762 5.5752 6.28616 6.50432 -2.82175 TIMING: 1597400 CPU: 5032.86, 0.00313571/step Wall: 5032.86, 0.00313571/step, 2.96377 hours remaining, 239.179688 MB of memory in use. ENERGY: 1597400 3989.6314 20588.2348 14486.2023 237.4454 -203671.5074 2833.8203 0.0000 0.0000 52111.8741 -109424.2990 299.4877 -161536.1731 -109055.6436 299.3313 -29.3591 -11.4178 763132.9966 9.2243 9.1086 PRESSURE: 1597600 -194.595 -69.9639 68.1352 -69.9639 -626.773 -1.3634 68.1349 -1.36306 186.02 GPRESSURE: 1597600 -178.838 -120.88 3.9898 -88.1516 -500.88 -28.0995 85.288 107.824 140.517 PRESSAVG: 1597600 -11.1007 -29.7723 -8.51062 -29.7722 9.79574 -12.0207 -8.51066 -12.0208 -1.24706 GPRESSAVG: 1597600 -11.2623 -31.0109 -6.28578 -28.7751 11.936 -11.4937 -10.0254 -12.0135 -3.24318 TIMING: 1597600 CPU: 5033.49, 0.00313162/step Wall: 5033.49, 0.00313162/step, 2.95973 hours remaining, 239.179688 MB of memory in use. ENERGY: 1597600 4082.1710 20605.1647 14428.1807 250.6528 -203630.3392 2854.4325 0.0000 0.0000 52075.7658 -109333.9717 299.2801 -161409.7375 -108978.9189 299.3508 -211.7826 -179.7335 763355.5344 -0.8507 -0.8565 PRESSURE: 1597800 -44.124 50.7909 83.3996 50.7906 -223.647 15.9754 83.4002 15.9743 -199.371 GPRESSURE: 1597800 -70.0522 -14.0561 93.4627 106.319 -184.67 7.62627 137.055 -73.4654 -136.567 PRESSAVG: 1597800 -45.8054 2.91905 -9.22797 2.91905 -4.51844 39.9566 -9.228 39.9567 4.92574 GPRESSAVG: 1597800 -44.3746 2.01588 -12.5167 1.94974 -5.19154 41.3216 -7.28977 39.3128 4.17606 TIMING: 1597800 CPU: 5034.12, 0.00312576/step Wall: 5034.12, 0.00312576/step, 2.95401 hours remaining, 239.179688 MB of memory in use. ENERGY: 1597800 4063.6878 20620.8460 14468.4870 238.1409 -203530.7601 2733.1170 0.0000 0.0000 52155.3586 -109251.1229 299.7376 -161406.4815 -108900.4448 299.5199 -155.7140 -130.4297 764620.9751 -15.1327 -15.1300 PRESSURE: 1598000 -85.4538 -272.14 -96.8351 -272.14 103.895 80.5029 -96.8349 80.5017 239.183 GPRESSURE: 1598000 35.1761 -200.267 -73.5535 -230.761 54.6243 30.4926 -51.6815 77.2952 243.887 PRESSAVG: 1598000 -20.4342 -58.2031 -23.2885 -58.203 -1.81029 -33.6963 -23.2885 -33.6962 -7.09396 GPRESSAVG: 1598000 -20.5455 -57.9229 -21.8099 -58.1282 -2.05874 -33.9209 -22.0947 -33.1679 -7.09728 TIMING: 1598000 CPU: 5034.74, 0.00314648/step Wall: 5034.74, 0.00314648/step, 2.97342 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1598000 3984.0647 20633.1996 14483.8122 244.7995 -203404.4913 2713.2166 0.0000 0.0000 52063.1294 -109282.2693 299.2075 -161345.3987 -108932.3502 299.8803 85.8746 111.2290 761610.5681 -9.7795 -9.9005 PRESSURE: 1598200 -244.948 -111.245 -49.029 -111.244 83.1403 16.8202 -49.0298 16.8188 208.8 GPRESSURE: 1598200 -150.597 -99.4526 -4.26498 -187.744 150.05 -51.7878 36.1728 108.993 131.287 PRESSAVG: 1598200 8.10681 -36.3923 -40.1568 -36.3923 8.98387 -21.9469 -40.1568 -21.9469 4.49273 GPRESSAVG: 1598200 6.84409 -36.7992 -39.7315 -35.0476 8.83214 -22.6516 -39.5081 -22.1851 4.63576 TIMING: 1598200 CPU: 5035.37, 0.00313491/step Wall: 5035.37, 0.00313491/step, 2.96231 hours remaining, 239.179688 MB of memory in use. ENERGY: 1598200 4033.9608 20662.7594 14505.4157 254.0749 -203333.3087 2616.5153 0.0000 0.0000 52203.7125 -109056.8702 300.0155 -161260.5827 -108696.9539 299.8704 15.6640 43.5800 761657.5172 7.1945 6.7707 PRESSURE: 1598400 211.019 132.863 -78.0098 132.863 -189.851 -20.3385 -78.0096 -20.3386 16.1886 GPRESSURE: 1598400 168.51 88.803 -47.003 241.898 -72.816 -65.1643 -81.5015 162.768 27.4302 PRESSAVG: 1598400 53.1484 -14.9443 -33.953 -14.9443 2.8872 12.0844 -33.953 12.0845 7.88521 GPRESSAVG: 1598400 53.0522 -12.9465 -33.9721 -16.2767 2.99646 12.6719 -32.7732 14.0707 7.49264 TIMING: 1598400 CPU: 5036, 0.00315225/step Wall: 5036, 0.00315225/step, 2.97853 hours remaining, 239.179688 MB of memory in use. ENERGY: 1598400 4098.4928 20543.0495 14487.5296 265.7535 -203340.1591 2758.5341 0.0000 0.0000 52160.0242 -109026.7754 299.7644 -161186.7995 -108670.6042 300.5137 12.4523 41.0415 761501.1923 21.3069 21.1804 PRESSURE: 1598600 -192.498 -72.0211 -139.93 -72.0215 196.927 -37.1412 -139.93 -37.1407 36.3371 GPRESSURE: 1598600 -161.845 -46.4183 -142.336 -120.076 279.843 -96.3496 -82.9957 -44.299 10.3908 PRESSAVG: 1598600 17.9968 -20.0679 -26.8041 -20.068 4.12608 -22.6969 -26.8042 -22.6969 -12.5676 GPRESSAVG: 1598600 18.0304 -19.2371 -26.3529 -19.4412 4.09273 -24.2865 -30.1681 -24.0078 -12.9139 TIMING: 1598600 CPU: 5036.63, 0.00312904/step Wall: 5036.63, 0.00312904/step, 2.95642 hours remaining, 239.179688 MB of memory in use. ENERGY: 1598600 3927.0408 20709.0424 14497.6422 250.0449 -203409.4325 2922.8706 0.0000 0.0000 52177.8051 -108924.9865 299.8666 -161102.7916 -108573.3254 300.3318 13.5885 42.7963 763773.4385 3.1851 3.0697 PRESSURE: 1598800 315.243 75.734 -394.003 75.7352 159.55 88.6916 -394.003 88.6918 -576.863 GPRESSURE: 1598800 300.807 -43.303 -353.946 12.2048 180.988 83.4737 -425.649 59.7058 -518.973 PRESSAVG: 1598800 -3.88323 24.4206 -47.4106 24.4206 50.4924 -28.8559 -47.4105 -28.8559 9.93815 GPRESSAVG: 1598800 -3.527 22.7472 -48.3181 25.9923 49.906 -26.5258 -44.3766 -29.3905 10.1549 TIMING: 1598800 CPU: 5037.25, 0.00311926/step Wall: 5037.25, 0.00311926/step, 2.947 hours remaining, 239.179688 MB of memory in use. ENERGY: 1598800 3989.4758 20646.6707 14458.2335 245.1216 -202861.6673 2408.1813 0.0000 0.0000 52281.8031 -108832.1814 300.4642 -161113.9845 -108457.9426 300.6779 -34.0234 -12.3929 762582.4953 18.8491 18.8446 PRESSURE: 1599000 -108.943 76.6431 -161.723 76.6444 -73.6481 -157.744 -161.723 -157.746 11.9845 GPRESSURE: 1599000 -48.2746 84.6278 -110.007 124.743 -67.4643 -160.418 -179.749 -138.948 43.4487 PRESSAVG: 1599000 -11.1198 -9.74721 -9.53819 -9.7473 16.5909 13.3778 -9.5382 13.3777 12.6782 GPRESSAVG: 1599000 -11.9441 -9.94076 -10.386 -10.0176 17.2382 11.5369 -11.5372 15.4736 13.1165 TIMING: 1599000 CPU: 5037.88, 0.00312098/step Wall: 5037.88, 0.00312098/step, 2.94846 hours remaining, 239.179688 MB of memory in use. ENERGY: 1599000 3990.0521 20551.5300 14491.9825 210.6395 -203078.3772 2559.6557 0.0000 0.0000 52101.7326 -109172.7848 299.4294 -161274.5175 -108810.2124 299.9562 -56.8687 -24.0968 761404.6169 6.0497 6.1369 PRESSURE: 1599200 145.556 157.288 -22.5986 157.288 40.3109 -103.356 -22.5986 -103.354 -63.7437 GPRESSURE: 1599200 145.979 189.002 10.4906 193.682 98.2395 -80.3884 -24.4827 -107.479 -52.1735 PRESSAVG: 1599200 41.889 3.44472 -19.157 3.44473 -1.37139 43.0538 -19.157 43.0537 8.70989 GPRESSAVG: 1599200 41.8651 3.07004 -17.8228 1.18381 -1.6206 43.5848 -18.9424 42.6011 8.76996 TIMING: 1599200 CPU: 5038.5, 0.00313878/step Wall: 5038.5, 0.00313878/step, 2.9651 hours remaining, 239.179688 MB of memory in use. ENERGY: 1599200 4012.6859 20683.4427 14530.5112 248.2942 -203590.7964 2893.1647 0.0000 0.0000 52055.9144 -109166.7832 299.1661 -161222.6976 -108811.8557 299.6573 40.7079 64.0149 761800.6593 16.4092 16.3382 PRESSURE: 1599400 284.977 -61.1132 -201.632 -61.1137 -124.886 11.2077 -201.632 11.208 429.655 GPRESSURE: 1599400 339.137 7.54047 -234.071 -126.265 -97.5785 62.7388 -101.729 8.83168 437.297 PRESSAVG: 1599400 -7.02609 -17.1623 13.5564 -17.1623 5.28426 13.3058 13.5563 13.3058 -8.24994 GPRESSAVG: 1599400 -7.37807 -17.5603 13.2015 -15.8883 6.74385 12.0337 12.9166 13.2482 -8.92742 TIMING: 1599400 CPU: 5039.13, 0.00314794/step Wall: 5039.13, 0.00314793/step, 2.97357 hours remaining, 239.179688 MB of memory in use. ENERGY: 1599400 4058.8821 20546.2962 14490.0687 255.6079 -202977.4615 2491.1876 0.0000 0.0000 51941.4613 -109193.9577 298.5083 -161135.4190 -108835.4044 299.5214 196.5820 226.2853 761278.1506 -3.3306 -3.1872 PRESSURE: 1599600 -161.039 -54.2153 -85.6074 -54.2154 -58.6897 234.615 -85.6077 234.615 -48.1856 GPRESSURE: 1599600 -131.634 -84.3331 -97.6019 -125.451 -24.8057 322.831 -160.956 96.0711 -38.9532 PRESSAVG: 1599600 13.9342 -25.5713 -67.7872 -25.5713 13.8949 25.0781 -67.7873 25.0781 4.08119 GPRESSAVG: 1599600 14.5457 -23.8721 -66.7389 -27.2724 12.3705 26.9733 -65.8626 22.4811 5.02 TIMING: 1599600 CPU: 5039.76, 0.00314057/step Wall: 5039.76, 0.00314057/step, 2.96644 hours remaining, 239.179688 MB of memory in use. ENERGY: 1599600 3983.7061 20532.9985 14484.0786 221.7933 -203463.8617 2589.3398 0.0000 0.0000 52288.4087 -109363.5368 300.5022 -161651.9456 -108996.7604 300.0769 -89.3047 -65.1309 759417.0309 10.6367 10.6454 PRESSURE: 1599800 96.1351 -130.663 66.8026 -130.663 61.7199 121.218 66.8021 121.217 148.664 GPRESSURE: 1599800 153.296 -72.4983 55.4024 -190.436 163.719 180.112 54.4076 21.8584 75.2361 PRESSAVG: 1599800 3.56071 21.6023 -41.3269 21.6023 -74.1441 7.12846 -41.3268 7.12846 -13.2547 GPRESSAVG: 1599800 2.70413 21.1318 -42.4525 24.2387 -72.5501 7.8854 -41.3388 7.88023 -14.4567 TIMING: 1599800 CPU: 5040.39, 0.00314181/step Wall: 5040.39, 0.00314181/step, 2.96744 hours remaining, 239.179688 MB of memory in use. ENERGY: 1599800 4097.0045 20599.6984 14458.8068 251.1026 -203697.1445 2889.2844 0.0000 0.0000 51882.7955 -109518.4523 298.1711 -161401.2478 -109155.6250 299.8119 102.1730 130.7505 760424.3440 -27.9460 -28.1009 PRESSURE: 1600000 256.233 -19.8492 21.1538 -19.8497 6.67001 102.035 21.1546 102.035 -200.834 GPRESSURE: 1600000 249.055 29.0393 -14.8195 -70.4215 44.4873 68.5805 62.9539 85.0331 -149.046 PRESSAVG: 1600000 55.5715 -33.6071 -81.3059 -33.6071 -15.9556 19.2522 -81.3059 19.2522 -12.9269 GPRESSAVG: 1600000 56.034 -35.2301 -80.0931 -34.3887 -16.831 17.8238 -80.4538 18.0149 -12.0098 TIMING: 1600000 CPU: 5041.02, 0.00314741/step Wall: 5041.02, 0.00314741/step, 2.97256 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1600000 3991.7132 20610.7001 14406.5892 247.7649 -203225.6687 2478.3993 0.0000 0.0000 51926.3659 -109564.1362 298.4215 -161490.5021 -109214.0132 299.0504 20.6895 48.1656 761525.4912 8.8963 9.0644 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1600200 -224.567 -144.158 -372.598 -144.158 -286.958 184.185 -372.597 184.186 -25.2191 GPRESSURE: 1600200 -178.364 -41.487 -399.075 -15.6422 -232.635 225.497 -213.666 143.209 -34.451 PRESSAVG: 1600200 37.8207 -54.5023 -91.0905 -54.5023 -27.8325 4.74601 -91.0905 4.74596 14.9624 GPRESSAVG: 1600200 37.5347 -53.0375 -91.0818 -53.8519 -28.4219 4.74861 -93.4891 6.84371 16.2205 TIMING: 1600200 CPU: 5041.67, 0.00323206/step Wall: 5041.67, 0.00323206/step, 3.05232 hours remaining, 239.179688 MB of memory in use. ENERGY: 1600200 4011.5156 20643.9498 14455.9351 261.3403 -203047.2798 2367.5836 0.0000 0.0000 51834.9249 -109472.0306 297.8960 -161306.9554 -109114.8163 298.7378 -178.9146 -148.4834 761820.5722 8.3169 8.4444 LDB: ============= START OF LOAD BALANCING ============== 5054.06 LDB: ============== END OF LOAD BALANCING =============== 5054.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5054.07 LDB: ============= START OF LOAD BALANCING ============== 5054.38 LDB: Largest compute 7062 load 0.031141 is 15.9% of average load 0.196106 LDB: Average compute 0.004394 is 2.2% of average load 0.196106 LDB: TIME 5054.38 LOAD: AVG 0.196106 MAX 0.215067 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.66 MB LDB: TIME 5054.39 LOAD: AVG 0.196106 MAX 0.215067 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: TIME 5054.39 LOAD: AVG 0.196106 MAX 0.215067 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: ============== END OF LOAD BALANCING =============== 5054.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5054.39 PRESSURE: 1600400 -234.367 -141.007 -116.246 -141.007 -122.763 35.1354 -116.245 35.1357 -137.577 GPRESSURE: 1600400 -122.089 -148.929 -96.6866 -114.442 -140.232 -14.0421 -12.0686 -110.952 -142.476 PRESSAVG: 1600400 40.3454 -40.8028 -7.39753 -40.8028 -6.64167 -8.23996 -7.39744 -8.23997 -9.50761 GPRESSAVG: 1600400 40.9986 -41.2826 -7.37832 -40.4043 -6.26979 -9.20629 -5.41564 -9.40208 -10.7536 TIMING: 1600400 CPU: 5042.31, 0.00322057/step Wall: 5042.31, 0.00322057/step, 3.0413 hours remaining, 239.687500 MB of memory in use. ENERGY: 1600400 4024.6501 20610.9086 14358.1923 246.0518 -203064.9347 2632.7794 0.0000 0.0000 51870.9639 -109321.3885 298.1031 -161192.3524 -108962.8974 299.4343 -164.9024 -134.9323 761529.2346 8.0654 7.9917 PRESSURE: 1600600 -98.6038 -88.0664 -104.835 -88.067 116.58 149.943 -104.836 149.945 35.176 GPRESSURE: 1600600 -34.6603 -93.9473 -95.9691 -158.735 172.915 73.1489 -170.351 256.586 -17.4158 PRESSAVG: 1600600 53.4684 -42.0752 -12.0717 -42.0752 -43.2569 -10.7513 -12.0717 -10.7512 -1.65881 GPRESSAVG: 1600600 53.9145 -40.0525 -12.2331 -44.4362 -43.2679 -10.2675 -12.8374 -9.99549 -2.12861 TIMING: 1600600 CPU: 5042.94, 0.00313863/step Wall: 5042.94, 0.00313863/step, 2.96374 hours remaining, 239.890625 MB of memory in use. ENERGY: 1600600 3997.8257 20674.1629 14426.5998 242.7547 -203831.0451 2942.6889 0.0000 0.0000 52051.0235 -109495.9896 299.1379 -161547.0131 -109137.5024 299.4339 17.7175 40.2796 761585.6220 2.8509 2.8393 PRESSURE: 1600800 -36.2548 -43.6717 -122.882 -43.6709 256.06 62.445 -122.882 62.4444 340.37 GPRESSURE: 1600800 -0.770921 2.60727 -166.814 -46.9461 302.349 64.9226 -101.221 95.4795 338.432 PRESSAVG: 1600800 38.2572 -49.7557 27.9346 -49.7557 -54.9148 40.2846 27.9346 40.2846 4.64364 GPRESSAVG: 1600800 38.2594 -49.6992 27.8123 -50.0076 -55.0309 41.1139 28.3268 39.6717 4.39469 TIMING: 1600800 CPU: 5043.57, 0.0031394/step Wall: 5043.57, 0.0031394/step, 2.96429 hours remaining, 239.890625 MB of memory in use. ENERGY: 1600800 3927.3349 20638.7118 14437.3801 255.4985 -203674.9519 2791.0931 0.0000 0.0000 52264.8373 -109360.0962 300.3667 -161624.9335 -109000.8030 299.3961 186.7252 213.3366 760270.0671 -4.0046 -4.1256 PRESSURE: 1601000 289.529 -147.769 228.96 -147.768 138.286 -59.1997 228.961 -59.1987 164.841 GPRESSURE: 1601000 246.985 -96.2152 296.09 -125.116 277.921 -154.798 207.462 -109.785 160.238 PRESSAVG: 1601000 18.4456 -47.3801 -19.892 -47.3801 -18.2288 -7.13922 -19.8919 -7.13918 -7.49822 GPRESSAVG: 1601000 17.455 -46.757 -19.2189 -47.3676 -16.4327 -8.05124 -20.1507 -6.55873 -7.60844 TIMING: 1601000 CPU: 5044.19, 0.00313273/step Wall: 5044.19, 0.00313273/step, 2.95782 hours remaining, 239.890625 MB of memory in use. ENERGY: 1601000 3960.7147 20568.5656 14466.0051 250.4484 -203491.8745 2632.0259 0.0000 0.0000 52127.3215 -109486.7934 299.5764 -161614.1149 -109115.0168 299.2047 197.5521 228.3811 760623.4552 -2.4271 -2.1954 PRESSURE: 1601200 -208.692 26.1569 -116.247 26.1571 75.3448 5.77965 -116.246 5.77945 434.657 GPRESSURE: 1601200 -121.658 43.3846 -137.497 -17.6736 68.245 -25.615 -68.0511 12.5227 428.442 PRESSAVG: 1601200 40.2535 -61.6881 11.1225 -61.6881 -51.2042 -35.0521 11.1225 -35.0521 3.09929 GPRESSAVG: 1601200 40.9787 -64.849 9.97992 -60.0028 -52.5691 -36.1719 9.94414 -34.1341 3.27094 TIMING: 1601200 CPU: 5044.82, 0.00314742/step Wall: 5044.82, 0.00314742/step, 2.97151 hours remaining, 239.890625 MB of memory in use. ENERGY: 1601200 4020.7133 20510.1262 14490.2208 242.6833 -203154.4716 2592.3077 0.0000 0.0000 51876.1648 -109422.2554 298.1330 -161298.4202 -109054.2384 299.1718 100.4366 125.0096 763245.0090 -2.6171 -2.7731 PRESSURE: 1601400 -109.747 -330.625 -267.656 -330.625 38.1357 -98.6428 -267.656 -98.6428 -22.4098 GPRESSURE: 1601400 -171.558 -368.869 -339.246 -357.041 60.2781 -74.7091 -238.479 -168.609 91.5359 PRESSAVG: 1601400 12.1803 -87.4203 -6.12953 -87.4204 8.10777 -16.5679 -6.1296 -16.5679 6.62315 GPRESSAVG: 1601400 12.8675 -86.1728 -5.88217 -87.8432 7.36664 -14.8285 -4.41657 -15.6336 7.12528 TIMING: 1601400 CPU: 5045.45, 0.00314033/step Wall: 5045.45, 0.00314033/step, 2.96464 hours remaining, 239.890625 MB of memory in use. ENERGY: 1601400 3998.3015 20636.0998 14537.5322 256.6562 -203518.3359 2564.0141 0.0000 0.0000 51961.3714 -109564.3606 298.6227 -161525.7320 -109203.9128 298.8308 -31.3405 -6.5815 761596.2331 8.9704 9.1198 PRESSURE: 1601600 108.032 91.6009 0.24766 91.6008 -348.954 4.61623 0.247905 4.61608 -343.174 GPRESSURE: 1601600 129.923 73.3966 0.767219 58.563 -311.41 -2.20252 -27.8263 12.3841 -310.332 PRESSAVG: 1601600 29.2781 -38.9177 -32.6841 -38.9177 -5.14271 -26.8909 -32.6841 -26.8909 4.14499 GPRESSAVG: 1601600 28.3673 -37.4576 -32.4019 -38.0874 -3.40849 -27.2764 -35.5361 -28.2706 2.6631 TIMING: 1601600 CPU: 5046.08, 0.00316198/step Wall: 5046.08, 0.00316198/step, 2.9849 hours remaining, 239.890625 MB of memory in use. ENERGY: 1601600 3997.2837 20533.8409 14560.9696 241.8856 -202935.1685 2253.7274 0.0000 0.0000 51995.6965 -109351.7648 298.8200 -161347.4613 -108986.5200 298.8482 -194.6987 -163.9396 762466.9881 9.4268 9.2073 PRESSURE: 1601800 117.17 57.05 -16.0173 57.0499 -157.06 115.647 -16.0171 115.648 -76.7066 GPRESSURE: 1601800 165.175 -15.081 -6.45661 -12.3168 -63.1718 86.1493 -11.6636 146.902 -121.815 PRESSAVG: 1601800 -14.8287 -21.7698 -8.7607 -21.7699 27.6133 -35.6183 -8.76067 -35.6182 -0.489224 GPRESSAVG: 1601800 -14.9658 -22.8139 -10.647 -23.8797 27.3266 -36.2376 -6.10096 -35.8282 0.0396291 TIMING: 1601800 CPU: 5046.71, 0.00316416/step Wall: 5046.71, 0.00316416/step, 2.98679 hours remaining, 239.890625 MB of memory in use. ENERGY: 1601800 3979.5491 20651.6672 14567.5583 250.9520 -203534.7272 2739.9378 0.0000 0.0000 52054.6499 -109290.4128 299.1588 -161345.0627 -108942.5484 299.3511 -38.8655 -6.6041 761469.9080 4.0985 4.1335 PRESSURE: 1602000 175.032 4.33799 -15.3009 4.33781 178.55 181.163 -15.3003 181.162 201.361 GPRESSURE: 1602000 159.389 8.02806 -96.7031 12.2562 234.496 122.466 -48.636 169.189 234.846 PRESSAVG: 1602000 5.7878 -38.9812 -27.0547 -38.9811 -8.92528 -8.32325 -27.0547 -8.32324 -40.9518 GPRESSAVG: 1602000 5.75113 -39.8754 -26.2574 -37.5847 -8.96745 -7.13894 -29.0445 -8.85256 -41.283 TIMING: 1602000 CPU: 5047.35, 0.00316744/step Wall: 5047.35, 0.00316744/step, 2.98971 hours remaining, 239.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1602000 3957.2873 20586.6844 14521.5645 245.7047 -203520.4549 2905.0872 0.0000 0.0000 51981.7446 -109322.3821 298.7398 -161304.1268 -108959.1900 299.1801 184.9807 209.5770 760740.4112 -14.6964 -14.8331 PRESSURE: 1602200 -582.737 -108.222 11.3789 -108.222 -567.225 -254.865 11.3783 -254.866 -305.33 GPRESSURE: 1602200 -555.809 -45.8224 -16.9454 -143.561 -445.064 -334.331 82.4275 -191.094 -345.391 PRESSAVG: 1602200 62.9884 -3.45503 -7.35021 -3.45502 -29.5955 -68.1 -7.35024 -68.1001 -27.3143 GPRESSAVG: 1602200 62.9243 -1.04407 -7.69145 -5.67545 -28.6917 -70.9306 -7.71962 -68.1924 -28.1739 TIMING: 1602200 CPU: 5047.98, 0.00313672/step Wall: 5047.98, 0.00313672/step, 2.96054 hours remaining, 239.890625 MB of memory in use. ENERGY: 1602200 4015.6347 20405.9454 14516.6108 251.3001 -203350.5503 2502.9772 0.0000 0.0000 52515.7929 -109142.2893 301.8090 -161658.0822 -108773.4247 299.6934 -485.0973 -448.7548 762164.3974 2.0262 2.0196 PRESSURE: 1602400 -96.1017 85.434 15.5949 85.4342 -42.9008 -80.8089 15.5939 -80.8081 -132.346 GPRESSURE: 1602400 -98.7805 39.524 -15.1178 14.0196 -21.3696 -91.8697 106.825 64.3917 -77.5966 PRESSAVG: 1602400 9.66683 22.166 -18.6969 22.1661 -2.36252 -22.6598 -18.6969 -22.6597 40.3625 GPRESSAVG: 1602400 8.70954 21.7102 -19.2657 22.0836 -2.83662 -20.7779 -17.3432 -21.6822 41.5321 TIMING: 1602400 CPU: 5048.6, 0.00311743/step Wall: 5048.6, 0.00311743/step, 2.94216 hours remaining, 239.890625 MB of memory in use. ENERGY: 1602400 3964.0750 20491.7957 14478.8365 240.5971 -203083.6550 2340.8625 0.0000 0.0000 52354.0755 -109213.4127 300.8796 -161567.4882 -108843.4636 300.0276 -90.4496 -65.9156 760854.0846 15.8889 15.8017 PRESSURE: 1602600 -230.335 28.8015 -120.798 28.8015 123.365 5.59591 -120.797 5.59562 -302.757 GPRESSURE: 1602600 -217.475 76.8589 -74.9137 83.9778 155.115 101.802 -182.294 -48.6177 -262.335 PRESSAVG: 1602600 -7.65582 11.3028 -28.8363 11.3028 -22.901 -27.6447 -28.8364 -27.6447 -9.63124 GPRESSAVG: 1602600 -6.38287 11.0778 -26.3219 15.0034 -25.1565 -28.8153 -31.2826 -27.0329 -9.07628 TIMING: 1602600 CPU: 5049.22, 0.00312985/step Wall: 5049.22, 0.00312984/step, 2.9537 hours remaining, 239.890625 MB of memory in use. ENERGY: 1602600 3999.1011 20572.7818 14458.1101 242.9983 -203062.2067 2579.4657 0.0000 0.0000 52242.6931 -108967.0567 300.2395 -161209.7498 -108608.7377 300.3596 -136.5754 -108.2318 763769.9460 -13.3960 -13.5386 PRESSURE: 1602800 -440.522 150.277 179.523 150.276 -310.86 76.2152 179.524 76.2158 -506.052 GPRESSURE: 1602800 -394.168 101.263 191.399 26.0338 -255.766 10.1122 74.9134 -75.2708 -511.986 PRESSAVG: 1602800 -28.9652 -29.4397 -45.3499 -29.4397 24.025 32.4201 -45.3499 32.4202 5.02086 GPRESSAVG: 1602800 -28.8419 -26.899 -46.875 -33.5786 27.1195 32.0636 -43.8009 30.8425 2.87945 TIMING: 1602800 CPU: 5049.85, 0.00313187/step Wall: 5049.85, 0.00313187/step, 2.95544 hours remaining, 239.890625 MB of memory in use. ENERGY: 1602800 4021.4567 20399.7829 14494.7239 244.6061 -202755.4247 2378.0937 0.0000 0.0000 52314.4730 -108902.2885 300.6520 -161216.7615 -108539.6953 300.3645 -419.1444 -387.3066 764889.6574 0.0269 0.3857 PRESSURE: 1603000 62.9316 -94.2632 33.3319 -94.2637 150.774 70.5874 33.3325 70.5875 -138.09 GPRESSURE: 1603000 87.0722 -176.955 154.332 -191.598 79.9775 81.0293 24.5809 54.9697 -18.1986 PRESSAVG: 1603000 -8.86336 -18.2022 -1.3976 -18.2022 60.1934 -49.9324 -1.39758 -49.9324 -11.9461 GPRESSAVG: 1603000 -8.15042 -19.7062 -0.995391 -16.9374 58.2525 -49.2597 -0.958846 -51.1382 -10.7134 TIMING: 1603000 CPU: 5050.48, 0.00314191/step Wall: 5050.48, 0.00314191/step, 2.96474 hours remaining, 239.890625 MB of memory in use. ENERGY: 1603000 4001.4426 20555.7866 14515.0640 242.6337 -203355.9260 2932.6387 0.0000 0.0000 52359.5663 -108748.7941 300.9111 -161108.3604 -108385.2750 300.6639 25.2051 49.6170 762682.9432 13.1280 13.1296 PRESSURE: 1603200 -45.5039 39.133 175.54 39.1334 -149.864 2.17209 175.541 2.17236 -218.026 GPRESSURE: 1603200 20.8895 48.5919 66.958 43.0918 -157.419 -40.1726 108.024 13.0021 -177.151 PRESSAVG: 1603200 48.599 -58.3982 -4.07519 -58.3981 -39.8026 -9.08581 -4.07523 -9.08578 19.8107 GPRESSAVG: 1603200 49.6473 -56.7413 -4.6631 -57.3235 -39.2335 -9.32492 -4.93113 -6.06367 18.098 TIMING: 1603200 CPU: 5051.11, 0.00314678/step Wall: 5051.11, 0.00314678/step, 2.96916 hours remaining, 239.890625 MB of memory in use. ENERGY: 1603200 3987.3690 20720.7576 14454.3071 234.1906 -202822.7019 2366.7632 0.0000 0.0000 52152.1055 -108907.2089 299.7189 -161059.3144 -108540.6605 300.7686 -137.7980 -104.5601 762991.5844 9.5357 9.5039 PRESSURE: 1603400 -244.467 -41.9825 -156.564 -41.9827 242.931 5.04881 -156.564 5.04947 -139.482 GPRESSURE: 1603400 -200.51 -154.356 -95.8758 -146.499 272.677 -8.79573 14.047 20.2834 -136.833 PRESSAVG: 1603400 -19.5721 -22.1235 -0.581391 -22.1235 -16.5668 -7.33871 -0.581356 -7.33868 -23.089 GPRESSAVG: 1603400 -20.8388 -22.4722 -1.01643 -24.4959 -15.3864 -8.33713 1.49797 -7.60657 -23.5107 TIMING: 1603400 CPU: 5051.74, 0.0031625/step Wall: 5051.74, 0.0031625/step, 2.98382 hours remaining, 239.890625 MB of memory in use. ENERGY: 1603400 4003.0554 20597.8300 14426.7869 247.3963 -203077.5216 2418.9464 0.0000 0.0000 52200.3575 -109183.1492 299.9962 -161383.5067 -108812.5450 299.8932 -47.0061 -21.5556 762682.5411 -19.7426 -19.9120 PRESSURE: 1603600 -41.0865 -170.919 12.6262 -170.919 39.1309 245.399 12.6262 245.398 35.2236 GPRESSURE: 1603600 -14.0115 -113.707 -28.002 -111.756 -3.64744 222.89 -41.4749 255.702 136.363 PRESSAVG: 1603600 -10.112 -60.4856 -28.026 -60.4855 26.9505 24.0154 -28.0261 24.0153 18.4298 GPRESSAVG: 1603600 -9.67199 -61.727 -28.8817 -58.0978 24.8222 25.9876 -28.8568 23.5855 20.4417 TIMING: 1603600 CPU: 5052.37, 0.00315369/step Wall: 5052.37, 0.00315369/step, 2.97534 hours remaining, 239.890625 MB of memory in use. ENERGY: 1603600 4015.9634 20626.3796 14411.0996 240.3853 -203190.7702 2511.4876 0.0000 0.0000 52257.2219 -109128.2328 300.3230 -161385.4547 -108760.5465 299.6809 11.0893 39.5680 762237.4593 11.7561 11.8640 PRESSURE: 1603800 132.665 -151.926 64.3194 -151.926 -215.951 172.06 64.3186 172.059 -136.294 GPRESSURE: 1603800 114.946 -48.1067 33.1933 -228.063 -103.793 140.955 53.1909 22.57 -128.221 PRESSAVG: 1603800 -9.16609 -58.9934 -3.69805 -58.9934 -24.6925 -4.41164 -3.69805 -4.41162 -11.5175 GPRESSAVG: 1603800 -9.10505 -58.8922 -2.48546 -60.0025 -23.8492 -5.99305 -5.83218 -4.85552 -12.7971 TIMING: 1603800 CPU: 5053, 0.00313371/step Wall: 5053, 0.00313371/step, 2.95631 hours remaining, 239.890625 MB of memory in use. ENERGY: 1603800 4009.8611 20593.5044 14445.8747 241.6251 -202997.5796 2299.6008 0.0000 0.0000 52267.0813 -109140.0322 300.3796 -161407.1135 -108778.1957 300.3064 -73.1931 -39.0227 760064.8428 -15.1254 -15.2505 PRESSURE: 1604000 161.624 -59.3008 2.81663 -59.3008 182.514 152.21 2.81558 152.21 37.8865 GPRESSURE: 1604000 222.449 -56.3355 24.1017 69.0799 190.349 87.7562 -113.237 128.895 48.7361 PRESSAVG: 1604000 -7.32269 -64.8115 13.8155 -64.8115 40.657 23.624 13.8155 23.6239 -2.90117 GPRESSAVG: 1604000 -8.68166 -65.7976 14.6048 -63.2662 41.9719 24.7004 15.3747 23.1731 -3.3122 TIMING: 1604000 CPU: 5053.63, 0.00313091/step Wall: 5053.63, 0.00313091/step, 2.95349 hours remaining, 239.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1604000 3976.2294 20692.0582 14453.4328 227.2778 -203079.6082 2593.0661 0.0000 0.0000 51941.2025 -109196.3415 298.5068 -161137.5440 -108848.2434 299.8583 127.3415 153.8446 761021.6965 10.1444 9.9927 PRESSURE: 1604200 -244.411 -80.7657 159.514 -80.7657 -70.1581 37.5349 159.514 37.5354 381.504 GPRESSURE: 1604200 -124.29 -107.623 138.516 -71.8766 -73.3011 138.672 81.0486 -25.2699 354.857 PRESSAVG: 1604200 -11.7701 -114.833 20.8821 -114.833 29.126 62.9358 20.8821 62.9357 -20.4466 GPRESSAVG: 1604200 -12.1678 -114.411 20.9207 -114.65 27.8605 63.0025 18.7866 65.0411 -19.5084 TIMING: 1604200 CPU: 5054.25, 0.0031349/step Wall: 5054.25, 0.0031349/step, 2.95708 hours remaining, 239.890625 MB of memory in use. ENERGY: 1604200 3928.3786 20473.7659 14469.7384 229.0903 -202930.2126 2367.7162 0.0000 0.0000 52470.9797 -108990.5435 301.5514 -161461.5232 -108627.8790 300.2118 22.3115 52.4220 761655.9972 -1.0302 -1.2719 LDB: ============= START OF LOAD BALANCING ============== 5066.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5066.65 LDB: =============== DONE WITH MIGRATION ================ 5066.65 LDB: ============= START OF LOAD BALANCING ============== 5066.97 LDB: Largest compute 7062 load 0.032635 is 16.7% of average load 0.195958 LDB: Average compute 0.004393 is 2.2% of average load 0.195958 LDB: TIME 5066.97 LOAD: AVG 0.195958 MAX 0.217267 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.727 MB LDB: TIME 5066.97 LOAD: AVG 0.195958 MAX 0.217267 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.727 MB LDB: TIME 5066.97 LOAD: AVG 0.195958 MAX 0.217267 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.727 MB LDB: ============== END OF LOAD BALANCING =============== 5066.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5066.98 PRESSURE: 1604400 36.41 -30.0772 -186.509 -30.0772 -246.153 185.776 -186.508 185.776 -346.613 GPRESSURE: 1604400 137.898 -57.4072 -304.061 -150.279 -208.859 169.565 -135.657 118.163 -395.943 PRESSAVG: 1604400 -39.8288 -86.942 -28.1365 -86.9419 27.3855 32.9819 -28.1366 32.9819 -9.37418 GPRESSAVG: 1604400 -38.5945 -86.6079 -30.0994 -89.1559 27.4764 31.3435 -26.129 30.7594 -10.5664 TIMING: 1604400 CPU: 5054.9, 0.00321713/step Wall: 5054.9, 0.00321713/step, 3.03447 hours remaining, 239.441406 MB of memory in use. ENERGY: 1604400 4026.1079 20490.4565 14407.7411 253.8309 -203033.3892 2365.8376 0.0000 0.0000 52340.9573 -109148.4578 300.8042 -161489.4151 -108793.4071 299.7932 -185.4521 -155.6348 762287.4792 -7.2725 -7.2282 PRESSURE: 1604600 -28.1203 -7.13574 40.2845 -7.13555 7.84743 -24.2652 40.2842 -24.2658 -42.7609 GPRESSURE: 1604600 61.7272 -20.1371 79.7374 -98.3362 -45.0722 -6.72813 87.0805 49.2286 -10.4402 PRESSAVG: 1604600 5.22527 -73.6105 15.6819 -73.6104 10.7298 4.99408 15.6818 4.99406 -19.3697 GPRESSAVG: 1604600 5.05927 -73.8132 15.9422 -72.5375 10.8347 6.5478 15.1038 6.91905 -19.703 TIMING: 1604600 CPU: 5055.52, 0.00311506/step Wall: 5055.52, 0.00311506/step, 2.93802 hours remaining, 239.441406 MB of memory in use. ENERGY: 1604600 4020.9912 20513.0908 14396.8344 238.1655 -203158.0244 2564.7697 0.0000 0.0000 51958.6395 -109465.5333 298.6070 -161424.1728 -109107.4961 299.2672 -21.0112 2.0716 761067.7736 -1.1382 -1.2697 PRESSURE: 1604800 51.8445 -146.78 -112.26 -146.781 23.9672 -207.864 -112.26 -207.864 471.311 GPRESSURE: 1604800 70.6827 -64.9885 -80.271 -147.358 103.99 -137.002 -39.3051 -159.891 465.246 PRESSAVG: 1604800 24.7429 -49.1297 -17.9223 -49.1297 -8.75206 -12.6702 -17.9223 -12.6702 20.1748 GPRESSAVG: 1604800 24.8276 -48.1482 -17.5693 -49.2987 -8.83802 -12.3769 -17.2201 -12.3605 20.4262 TIMING: 1604800 CPU: 5056.15, 0.00313387/step Wall: 5056.15, 0.00313387/step, 2.95558 hours remaining, 239.441406 MB of memory in use. ENERGY: 1604800 3939.2240 20340.0190 14474.5741 277.1978 -203542.4096 2725.1962 0.0000 0.0000 52277.1807 -109509.0178 300.4377 -161786.1985 -109138.8283 299.4847 182.3744 213.3063 759890.8387 12.0552 12.1386 PRESSURE: 1605000 -37.9237 0.807868 274.891 0.806831 102.572 71.3992 274.891 71.3994 121.196 GPRESSURE: 1605000 -1.94118 -69.2308 203.951 -95.7824 104.44 9.31775 277.92 25.3684 163.039 PRESSAVG: 1605000 52.7388 -75.9658 -13.7535 -75.9658 -32.1066 -11.5309 -13.7535 -11.5308 11.4987 GPRESSAVG: 1605000 53.2506 -75.5039 -13.7173 -76.2576 -32.8622 -12.0514 -13.4308 -13.4418 11.6227 TIMING: 1605000 CPU: 5056.77, 0.00314803/step Wall: 5056.77, 0.00314803/step, 2.96876 hours remaining, 239.441406 MB of memory in use. ENERGY: 1605000 3950.4530 20554.1739 14484.2159 257.2905 -203059.1450 2568.1229 0.0000 0.0000 51677.2722 -109567.6165 296.9900 -161244.8887 -109223.2593 298.6441 61.9479 88.5129 761550.7921 10.7103 10.6704 PRESSURE: 1605200 -144.123 -261.601 -28.9671 -261.601 70.9629 86.7656 -28.9673 86.7665 333.691 GPRESSURE: 1605200 18.6434 -138.399 -14.0514 -250.243 -28.5654 98.6885 137.283 88.7793 364.562 PRESSAVG: 1605200 -17.5007 -84.3127 -9.79968 -84.3127 8.51418 25.2864 -9.79967 25.2863 -14.0097 GPRESSAVG: 1605200 -18.5536 -87.2362 -8.75795 -82.4079 8.13446 24.2171 -10.2527 25.7424 -12.658 TIMING: 1605200 CPU: 5057.4, 0.00314138/step Wall: 5057.4, 0.00314138/step, 2.96232 hours remaining, 239.441406 MB of memory in use. ENERGY: 1605200 3951.0578 20434.7049 14495.3233 247.7394 -203374.5271 2467.2163 0.0000 0.0000 52045.9426 -109732.5429 299.1087 -161778.4855 -109363.3748 298.6935 86.8437 118.2133 759882.3153 -7.6654 -7.6924 PRESSURE: 1605400 157.905 -132.438 -149.302 -132.438 -136.22 -14.5222 -149.302 -14.5224 -276.097 GPRESSURE: 1605400 129.451 -178.771 -71.188 -157.74 -21.8638 -3.74453 -115.14 21.1934 -298.859 PRESSAVG: 1605400 36.3472 -50.8494 23.3032 -50.8494 6.22504 -23.2334 23.3032 -23.2334 4.56002 GPRESSAVG: 1605400 36.1279 -47.1935 23.581 -51.8237 7.41333 -22.61 24.4741 -21.3495 3.41472 TIMING: 1605400 CPU: 5058.03, 0.00312389/step Wall: 5058.03, 0.00312389/step, 2.94565 hours remaining, 239.441406 MB of memory in use. ENERGY: 1605400 3964.4028 20533.1799 14516.5172 240.7409 -203127.8346 2324.6396 0.0000 0.0000 51984.4302 -109563.9240 298.7552 -161548.3541 -109197.1187 298.8007 -84.8041 -63.7573 761169.5287 15.7108 15.6520 PRESSURE: 1605600 -66.8017 168.165 162.964 168.165 147.263 -83.0167 162.963 -83.0172 -17.6945 GPRESSURE: 1605600 -53.7546 144.41 68.7703 224.383 115.326 -74.6647 93.0759 -66.2382 83.9956 PRESSAVG: 1605600 -23.2058 -34.3747 -19.7862 -34.3747 33.6098 -7.81947 -19.7862 -7.81942 -0.929032 GPRESSAVG: 1605600 -23.0968 -36.2932 -20.8437 -33.4803 32.895 -6.84354 -21.7065 -9.45045 0.0141321 TIMING: 1605600 CPU: 5058.65, 0.00312934/step Wall: 5058.65, 0.00312934/step, 2.95062 hours remaining, 239.441406 MB of memory in use. ENERGY: 1605600 3994.2002 20551.2436 14460.6636 252.8176 -203617.8535 2772.7922 0.0000 0.0000 52085.7836 -109500.3528 299.3377 -161586.1363 -109141.5957 299.4610 20.9221 48.5225 761619.6819 3.1583 3.2708 PRESSURE: 1605800 306.785 -78.6379 35.8862 -78.6374 -219.224 59.1518 35.8855 59.1521 -6.8787 GPRESSURE: 1605800 390.337 -40.6346 60.2062 12.0568 -133.3 29.2485 54.7029 -48.0581 -67.5392 PRESSAVG: 1605800 -25.1105 -45.3413 28.4869 -45.3413 84.9377 10.1329 28.4868 10.1329 -24.5371 GPRESSAVG: 1605800 -26.1906 -45.2539 27.6436 -44.7369 85.5323 9.78733 29.2065 9.15141 -24.4114 TIMING: 1605800 CPU: 5059.28, 0.00313927/step Wall: 5059.28, 0.00313927/step, 2.95981 hours remaining, 239.441406 MB of memory in use. ENERGY: 1605800 3987.8054 20392.9556 14526.1919 241.6213 -203341.5773 2467.5873 0.0000 0.0000 52048.4626 -109676.9532 299.1232 -161725.4157 -109313.4450 299.0619 26.8939 63.1658 761266.7905 11.7634 11.6435 PRESSURE: 1606000 102.987 -15.255 -56.9136 -15.2544 209.515 -128.804 -56.9142 -128.804 57.1773 GPRESSURE: 1606000 193.545 -118.759 -135.099 45.1987 219.32 -95.454 -41.8068 -191.948 39.3443 PRESSAVG: 1606000 50.8341 -22.5178 5.46194 -22.5178 -49.8625 2.71581 5.46193 2.71577 1.42904 GPRESSAVG: 1606000 52.2528 -22.7225 5.73063 -22.7622 -51.2937 1.619 6.63488 1.91148 1.26927 TIMING: 1606000 CPU: 5059.91, 0.0031362/step Wall: 5059.91, 0.0031362/step, 2.95674 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1606000 4092.9619 20445.2333 14444.1138 229.8536 -203395.8952 2614.9856 0.0000 0.0000 51836.2559 -109732.4910 297.9037 -161568.7469 -109363.6972 298.9834 123.2266 150.7364 759099.7156 0.8002 0.7428 PRESSURE: 1606200 42.2044 -28.1562 23.3688 -28.1564 60.5495 99.4823 23.37 99.4824 -156.019 GPRESSURE: 1606200 28.2536 -62.5188 -61.0742 69.6649 158.731 126.568 45.9984 127.954 -162.857 PRESSAVG: 1606200 -17.3142 6.79931 -36.4886 6.79927 -13.3853 3.23072 -36.4887 3.23081 17.9035 GPRESSAVG: 1606200 -18.7116 5.785 -36.2979 6.92132 -12.5461 3.73237 -37.0791 4.31914 17.7015 TIMING: 1606200 CPU: 5060.53, 0.00312965/step Wall: 5060.53, 0.00312965/step, 2.95039 hours remaining, 239.441406 MB of memory in use. ENERGY: 1606200 3936.2295 20429.5467 14454.6781 244.4114 -203580.2860 2791.8841 0.0000 0.0000 52068.7509 -109654.7852 299.2398 -161723.5361 -109287.4732 298.9831 -17.7550 8.0427 760486.4387 -4.2653 -4.5187 PRESSURE: 1606400 -155.119 -103.07 -20.3627 -103.071 67.1495 19.8417 -20.3618 19.8421 -313.609 GPRESSURE: 1606400 -75.3298 -27.1805 44.4763 -35.3051 104.885 -9.26982 -159.895 -152.385 -348.37 PRESSAVG: 1606400 -7.8846 -34.5239 -45.3294 -34.5239 -3.84173 20.6157 -45.3294 20.6159 -12.1077 GPRESSAVG: 1606400 -7.03853 -32.1425 -44.3686 -35.6901 -3.87933 21.5878 -46.5835 18.7036 -13.0933 TIMING: 1606400 CPU: 5061.17, 0.00315761/step Wall: 5061.17, 0.00315761/step, 2.97657 hours remaining, 239.441406 MB of memory in use. ENERGY: 1606400 4039.9484 20435.2086 14447.0358 242.0090 -202755.7865 2244.9705 0.0000 0.0000 52048.1839 -109298.4303 299.1216 -161346.6142 -108941.1433 299.3835 -133.8594 -106.2718 761836.0727 -7.9447 -8.0037 PRESSURE: 1606600 4.59336 -20.5673 47.147 -20.5665 684.153 108.614 47.148 108.612 272.145 GPRESSURE: 1606600 52.1617 100.53 153.352 -43.4531 684.525 59.7715 9.24445 174.455 330.343 PRESSAVG: 1606600 8.71365 24.9546 -49.5315 24.9546 -13.3102 15.9498 -49.5314 15.9499 -13.1503 GPRESSAVG: 1606600 8.79173 25.403 -50.4732 26.2204 -14.322 15.8454 -48.9356 16.1942 -12.3082 TIMING: 1606600 CPU: 5061.79, 0.00313236/step Wall: 5061.79, 0.00313236/step, 2.9526 hours remaining, 239.441406 MB of memory in use. ENERGY: 1606600 3953.4805 20398.8771 14524.1249 255.4659 -203375.8382 2836.1186 0.0000 0.0000 52016.0509 -109391.7204 298.9370 -161407.7712 -109029.6209 299.7340 320.2972 355.6764 760252.1834 -5.9156 -5.9462 PRESSURE: 1606800 -392.121 -0.099468 -7.32239 -0.0995866 -338.746 -142.497 -7.32349 -142.498 -594.472 GPRESSURE: 1606800 -387.053 13.3375 -56.4895 -7.36857 -236.726 -147.426 53.5832 -216.008 -625.041 PRESSAVG: 1606800 -2.65049 -64.7777 -14.9727 -64.7776 43.275 7.35625 -14.9728 7.35621 2.18648 GPRESSAVG: 1606800 -3.15405 -64.5321 -15.1912 -65.8356 44.7309 8.06061 -16.8344 10.0071 1.77532 TIMING: 1606800 CPU: 5062.42, 0.00312352/step Wall: 5062.42, 0.00312352/step, 2.94409 hours remaining, 239.441406 MB of memory in use. ENERGY: 1606800 3944.8676 20746.4525 14399.9043 241.4250 -202954.5616 2230.7824 0.0000 0.0000 52055.1051 -109336.0246 299.1614 -161391.1298 -108970.6938 299.7253 -441.7800 -416.2730 760983.2398 14.2703 14.4507 PRESSURE: 1607000 457.748 215.491 -42.463 215.492 45.1988 187.283 -42.4627 187.282 129.813 GPRESSURE: 1607000 451.321 123.791 76.2622 280.184 127.136 198.539 -14.5423 226.835 146.861 PRESSAVG: 1607000 4.60095 21.0251 -54.2821 21.025 -48.8404 -5.07941 -54.2821 -5.07944 20.4744 GPRESSAVG: 1607000 4.76617 19.0573 -51.9919 21.9092 -49.3323 -6.53638 -52.9966 -7.06381 20.5405 TIMING: 1607000 CPU: 5063.05, 0.00314032/step Wall: 5063.05, 0.00314032/step, 2.95975 hours remaining, 239.441406 MB of memory in use. ENERGY: 1607000 4017.3010 20670.5612 14415.2643 241.4496 -203567.6847 2663.2454 0.0000 0.0000 52177.1574 -109382.7057 299.8628 -161559.8632 -109026.4210 299.8477 210.9200 241.7727 760063.9380 -7.9217 -8.0086 PRESSURE: 1607200 53.4292 162.89 -138.534 162.89 -24.8852 31.2702 -138.534 31.2695 -102.543 GPRESSURE: 1607200 134.28 153.671 -156.625 89.3755 -107.149 98.5717 -131.97 -84.7958 2.0187 PRESSAVG: 1607200 52.0108 0.0681698 -33.5126 0.0682069 -20.6476 -8.70317 -33.5127 -8.70322 -10.7869 GPRESSAVG: 1607200 52.3282 1.17368 -35.3141 0.174633 -20.35 -7.21969 -33.198 -8.14332 -11.4877 TIMING: 1607200 CPU: 5063.68, 0.00316991/step Wall: 5063.68, 0.00316991/step, 2.98746 hours remaining, 239.441406 MB of memory in use. ENERGY: 1607200 3975.7991 20429.5405 14375.9639 240.6889 -203437.2682 2566.8762 0.0000 0.0000 52209.9818 -109638.4177 300.0515 -161848.3995 -109263.3397 299.2404 -24.6663 9.7165 761019.9950 6.8588 6.8302 PRESSURE: 1607400 147.757 -358.88 -162.068 -358.88 68.7744 -32.414 -162.069 -32.413 -128.119 GPRESSURE: 1607400 172.212 -331.995 -61.2221 -273.806 89.1824 -33.3295 -185.836 -53.31 -91.1641 PRESSAVG: 1607400 73.5773 -72.7591 -32.9395 -72.7591 -108.557 15.7908 -32.9395 15.7908 9.19604 GPRESSAVG: 1607400 72.7028 -74.0007 -31.3806 -75.5047 -108.535 14.669 -32.9431 16.0913 9.99931 TIMING: 1607400 CPU: 5064.3, 0.00312497/step Wall: 5064.3, 0.00312497/step, 2.94493 hours remaining, 239.441406 MB of memory in use. ENERGY: 1607400 3989.0509 20456.3881 14554.8161 247.1557 -203821.5046 2810.7896 0.0000 0.0000 51977.1360 -109786.1684 298.7133 -161763.3044 -109423.4533 298.8492 29.4706 56.7435 761286.5438 -8.5947 -8.6109 PRESSURE: 1607600 -8.08132 -85.984 -116.318 -85.9836 -85.2703 141.399 -116.318 141.399 -27.7579 GPRESSURE: 1607600 102.938 -69.8735 -219.234 -136.192 -45.4726 166.909 -79.5166 48.5341 -88.8304 PRESSAVG: 1607600 27.0712 -91.9465 -27.7721 -91.9465 -18.9957 24.7089 -27.772 24.7089 -3.07431 GPRESSAVG: 1607600 27.9472 -90.6586 -27.7208 -92.5037 -19.3493 24.8185 -29.3461 24.0717 -2.69823 TIMING: 1607600 CPU: 5064.93, 0.00311965/step Wall: 5064.93, 0.00311965/step, 2.93975 hours remaining, 239.441406 MB of memory in use. ENERGY: 1607600 4042.5510 20376.3166 14475.0308 255.3076 -204087.7315 2898.8054 0.0000 0.0000 52008.0170 -110031.7031 298.8908 -162039.7201 -109658.5507 298.3761 -40.3699 -10.4550 761182.6187 1.6671 1.9666 PRESSURE: 1607800 45.8262 -231.992 238.655 -231.991 -91.3814 -85.3657 238.655 -85.3662 153.184 GPRESSURE: 1607800 97.9677 -123.114 261.377 -152.334 -117.552 -133.035 254.845 -72.5761 206.973 PRESSAVG: 1607800 47.5375 -98.3499 -36.2936 -98.3499 -27.1613 -26.7144 -36.2936 -26.7143 23.7931 GPRESSAVG: 1607800 47.4042 -98.6455 -37.1132 -94.9532 -26.9463 -27.0752 -36.2733 -26.249 24.0861 TIMING: 1607800 CPU: 5065.55, 0.00311614/step Wall: 5065.55, 0.00311614/step, 2.93627 hours remaining, 239.441406 MB of memory in use. ENERGY: 1607800 3993.1002 20549.0823 14431.3758 232.9184 -203837.6663 2956.6383 0.0000 0.0000 51747.9532 -109926.5981 297.3962 -161674.5513 -109568.6486 297.9388 35.8763 62.4630 762979.8738 14.7231 14.8480 PRESSURE: 1608000 -0.332593 13.8931 -250.512 13.8934 176.688 -17.7973 -250.513 -17.7978 101.808 GPRESSURE: 1608000 -27.0271 -113.063 -244.201 10.4587 268.364 45.7354 -76.8199 -187.417 132.159 PRESSAVG: 1608000 0.439307 -35.0887 -4.77727 -35.0888 -30.5756 6.55849 -4.77722 6.55854 -2.70445 GPRESSAVG: 1608000 0.49845 -35.7625 -6.1004 -36.6378 -29.5634 6.38482 -0.99603 6.61784 -3.37408 TIMING: 1608000 CPU: 5066.18, 0.00313556/step Wall: 5066.18, 0.00313556/step, 2.9544 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1608000 3966.6208 20293.4895 14465.9562 238.1007 -203766.2353 2811.6862 0.0000 0.0000 51980.1581 -110010.2238 298.7307 -161990.3820 -109650.1637 298.1700 92.7211 124.4985 762735.5079 -10.9469 -10.8130 PRESSURE: 1608200 153.348 -76.2183 -154.483 -76.219 215.409 -399.695 -154.482 -399.695 -581.846 GPRESSURE: 1608200 188.282 10.4761 -174.551 -127.979 214.882 -411.46 -12.4268 -315.246 -530.424 PRESSAVG: 1608200 -0.547236 -37.8951 -26.1496 -37.8951 -12.1448 -65.2738 -26.1496 -65.2738 -0.955975 GPRESSAVG: 1608200 -1.33996 -39.3625 -22.9231 -38.3507 -12.3747 -65.0009 -28.7162 -64.7103 -0.689878 TIMING: 1608200 CPU: 5066.81, 0.00313321/step Wall: 5066.81, 0.00313321/step, 2.95201 hours remaining, 239.441406 MB of memory in use. ENERGY: 1608200 3962.2069 20422.8040 14371.2835 237.9035 -203136.5808 2521.3022 0.0000 0.0000 51730.5858 -109890.4949 297.2964 -161621.0807 -109525.2974 297.8356 -71.0297 -42.4198 763599.3625 -4.5493 -4.8015 LDB: ============= START OF LOAD BALANCING ============== 5079.2 LDB: ============== END OF LOAD BALANCING =============== 5079.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5079.2 LDB: ============= START OF LOAD BALANCING ============== 5079.52 LDB: Largest compute 7041 load 0.032003 is 16.3% of average load 0.195990 LDB: Average compute 0.004386 is 2.2% of average load 0.195990 LDB: TIME 5079.52 LOAD: AVG 0.19599 MAX 0.218752 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 5079.52 LOAD: AVG 0.19599 MAX 0.218752 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.645 MB LDB: TIME 5079.52 LOAD: AVG 0.19599 MAX 0.218752 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5079.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5079.53 PRESSURE: 1608400 -111.338 80.1055 152.873 80.1056 68.0555 -9.21062 152.873 -9.21106 160.355 GPRESSURE: 1608400 -124.945 33.8765 91.5242 42.3437 81.9429 13.6698 223.283 -41.2292 255.724 PRESSAVG: 1608400 -56.2279 -81.5046 -19.4284 -81.5046 33.7668 -0.650519 -19.4284 -0.650574 -26.2449 GPRESSAVG: 1608400 -57.1121 -78.3076 -21.2216 -80.8943 33.9096 -0.44774 -20.9864 -1.16198 -25.8699 TIMING: 1608400 CPU: 5067.45, 0.00320186/step Wall: 5067.45, 0.00320186/step, 3.01651 hours remaining, 239.382812 MB of memory in use. ENERGY: 1608400 3870.8680 20428.8587 14486.7958 251.7295 -203653.9421 2534.0400 0.0000 0.0000 51984.1058 -110097.5443 298.7534 -162081.6501 -109729.9968 298.1217 39.0241 70.9074 762085.1037 -16.2353 -16.3575 PRESSURE: 1608600 197.31 -8.99227 -103.133 -8.99163 -156.909 120.445 -103.132 120.445 -312.023 GPRESSURE: 1608600 319.415 -45.4209 -38.1083 -44.1649 -143.038 213.432 -9.42291 67.3014 -361.011 PRESSAVG: 1608600 -5.66552 -40.9666 -5.37287 -40.9667 5.31086 -42.8196 -5.3729 -42.8196 5.62181 GPRESSAVG: 1608600 -4.83747 -42.8195 -3.53126 -41.3069 4.92426 -42.6594 -5.38427 -44.0859 5.07263 TIMING: 1608600 CPU: 5068.08, 0.0031539/step Wall: 5068.08, 0.0031539/step, 2.97115 hours remaining, 239.382812 MB of memory in use. ENERGY: 1608600 3954.6608 20490.4090 14479.1062 250.5532 -203382.0267 2475.4361 0.0000 0.0000 51741.7447 -109990.1168 297.3605 -161731.8615 -109636.5364 298.1384 -90.5406 -61.5449 761913.2740 1.7557 1.7198 PRESSURE: 1608800 84.0099 -60.5502 -66.4346 -60.5506 36.1048 34.4976 -66.4341 34.4971 45.4528 GPRESSURE: 1608800 59.0608 -34.4716 -85.1022 -31.9032 136.22 114.334 12.628 117.068 53.0738 PRESSAVG: 1608800 -26.1369 -92.5927 -57.4936 -92.5928 21.3697 14.2745 -57.4936 14.2746 -12.5516 GPRESSAVG: 1608800 -26.9861 -91.4518 -59.4019 -90.8097 21.7144 14.3934 -54.9825 14.9069 -11.9716 TIMING: 1608800 CPU: 5068.71, 0.00314743/step Wall: 5068.71, 0.00314743/step, 2.96488 hours remaining, 239.382812 MB of memory in use. ENERGY: 1608800 4093.8911 20416.8534 14440.8944 241.0096 -203427.8534 2632.3468 0.0000 0.0000 51881.5465 -109721.3117 298.1640 -161602.8582 -109370.6983 298.6963 55.1892 82.7847 761467.0295 -5.7729 -5.7478 PRESSURE: 1609000 -61.9201 -102.784 146.172 -102.784 -151.052 132.168 146.172 132.168 -97.4006 GPRESSURE: 1609000 21.3724 -143.879 143.486 27.6144 -156.589 34.1146 100.05 174.701 -77.8548 PRESSAVG: 1609000 -43.0799 -29.6808 -10.7611 -29.6808 -9.33199 31.6425 -10.761 31.6426 -18.3728 GPRESSAVG: 1609000 -43.2559 -31.5018 -8.97316 -30.6585 -9.41512 30.6829 -13.0559 29.7437 -17.8791 TIMING: 1609000 CPU: 5069.33, 0.0031413/step Wall: 5069.33, 0.0031413/step, 2.95893 hours remaining, 239.382812 MB of memory in use. ENERGY: 1609000 3931.3175 20455.6558 14507.4066 264.3724 -203275.7011 2397.1377 0.0000 0.0000 51737.4819 -109982.3293 297.3360 -161719.8112 -109618.0618 298.5295 -103.4576 -71.0237 761092.4732 -23.5949 -23.5167 PRESSURE: 1609200 26.3422 -15.8542 100.654 -15.8539 -194.034 102.326 100.655 102.325 199.179 GPRESSURE: 1609200 6.20557 37.2888 106.499 -78.5019 -209.903 140.92 64.2774 -45.5833 308.025 PRESSAVG: 1609200 5.23683 -93.8654 -16.9302 -93.8654 15.2347 0.0245576 -16.9303 0.0246266 -2.56806 GPRESSAVG: 1609200 5.02916 -93.4265 -19.0809 -95.2856 14.3548 1.52452 -15.8034 0.109056 -2.43997 TIMING: 1609200 CPU: 5069.96, 0.00312954/step Wall: 5069.96, 0.00312954/step, 2.94768 hours remaining, 239.382812 MB of memory in use. ENERGY: 1609200 3992.7938 20516.0883 14527.9722 244.5309 -203618.0034 2592.4877 0.0000 0.0000 51799.4449 -109944.6856 297.6921 -161744.1305 -109590.5645 298.3739 10.4957 34.7759 760193.0517 5.9678 5.6480 PRESSURE: 1609400 58.2134 24.6033 -285.486 24.6028 -163.707 38.3469 -285.485 38.3466 -112.834 GPRESSURE: 1609400 68.2768 77.8028 -317.759 -59.9908 -90.5054 49.0497 -336.601 31.9268 -111.184 PRESSAVG: 1609400 -27.5966 -32.6489 -33.6487 -32.6489 29.2202 82.8743 -33.6488 82.8742 8.25328 GPRESSAVG: 1609400 -26.0308 -32.3697 -32.1249 -29.9905 28.4196 81.3894 -36.1026 84.6548 8.32884 TIMING: 1609400 CPU: 5070.59, 0.00312666/step Wall: 5070.59, 0.00312666/step, 2.94479 hours remaining, 239.382812 MB of memory in use. ENERGY: 1609400 3995.1910 20387.5652 14437.8778 236.6009 -203452.8610 2623.3238 0.0000 0.0000 51906.6240 -109865.6781 298.3081 -161772.3022 -109499.1055 298.6529 -72.7760 -44.4708 760295.8623 3.2923 3.5726 PRESSURE: 1609600 113.819 4.46538 -210.944 4.46567 256.951 -47.2134 -210.943 -47.2134 107.972 GPRESSURE: 1609600 110.066 -0.0946448 -221.14 -135.165 289.586 -97.5976 -66.8825 88.9793 183.103 PRESSAVG: 1609600 -28.2885 -86.3048 -10.4421 -86.3048 39.0962 6.3672 -10.4421 6.36729 22.5101 GPRESSAVG: 1609600 -28.0526 -86.9505 -10.789 -88.3033 38.7346 6.04327 -9.54668 6.1932 23.0013 TIMING: 1609600 CPU: 5071.22, 0.00314733/step Wall: 5071.22, 0.00314734/step, 2.96409 hours remaining, 239.382812 MB of memory in use. ENERGY: 1609600 3961.7415 20388.1491 14409.8548 261.1307 -203644.2255 2722.6925 0.0000 0.0000 51977.8172 -109922.8397 298.7172 -161900.6569 -109561.6539 298.5066 159.5808 194.2516 760376.4837 11.1060 11.2278 PRESSURE: 1609800 56.4711 -234.92 -53.7629 -234.919 151.124 42.6123 -53.7632 42.6112 71.9187 GPRESSURE: 1609800 98.7523 -195.469 -96.4885 -157.682 149.012 96.4729 4.01262 -38.6633 105.436 PRESSAVG: 1609800 -32.9343 -45.3942 18.6729 -45.3941 13.3242 -3.16789 18.6729 -3.16792 -9.91478 GPRESSAVG: 1609800 -34.1338 -45.7675 18.9953 -44.8171 16.3847 -2.75083 18.7021 -4.20622 -10.9656 TIMING: 1609800 CPU: 5071.84, 0.00312128/step Wall: 5071.84, 0.00312128/step, 2.93938 hours remaining, 239.382812 MB of memory in use. ENERGY: 1609800 3906.8053 20531.8331 14513.6082 232.1894 -203637.3649 2573.9287 0.0000 0.0000 52075.6634 -109803.3368 299.2796 -161879.0002 -109445.6915 298.3096 93.1713 117.7336 760397.5444 -9.8416 -9.5716 PRESSURE: 1610000 -156.89 -205.173 -155.199 -205.175 -206.678 167.31 -155.199 167.31 19.9073 GPRESSURE: 1610000 -146.566 -216.463 -219.591 -114.374 -161.568 234.431 -196.842 57.9089 20.879 PRESSAVG: 1610000 31.234 -108.77 -71.9412 -108.77 3.15869 -27.7704 -71.9413 -27.7702 -7.80335 GPRESSAVG: 1610000 32.5822 -106.916 -73.8295 -109.284 1.41087 -25.4967 -70.4962 -28.1331 -7.54133 TIMING: 1610000 CPU: 5072.46, 0.00312369/step Wall: 5072.46, 0.00312369/step, 2.94147 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1610000 3936.3800 20492.8500 14451.0162 240.5280 -203389.1377 2521.9125 0.0000 0.0000 51905.2917 -109841.1593 298.3004 -161746.4510 -109479.2462 298.3062 -114.5536 -95.7520 762029.0865 8.8631 8.8172 PRESSURE: 1610200 92.1714 -19.0158 14.0228 -19.0152 145.024 -390.1 14.0232 -390.099 -546.671 GPRESSURE: 1610200 94.595 11.1062 38.6713 -14.3217 165.306 -316.073 83.5591 -195.115 -481.222 PRESSAVG: 1610200 -54.934 -55.8636 -19.3567 -55.8637 -13.6376 11.7216 -19.3567 11.7215 -14.8574 GPRESSAVG: 1610200 -55.9809 -54.9285 -17.8138 -55.0403 -12.8143 11.368 -20.5276 13.017 -14.1787 TIMING: 1610200 CPU: 5073.09, 0.00312737/step Wall: 5073.09, 0.00312737/step, 2.94477 hours remaining, 239.382812 MB of memory in use. ENERGY: 1610200 3941.4025 20604.0623 14410.2226 238.2590 -203669.2444 2818.6576 0.0000 0.0000 51899.7750 -109756.8655 298.2687 -161656.6405 -109385.3494 298.2428 -103.1584 -73.7736 761297.0385 -27.8097 -27.6580 PRESSURE: 1610400 -83.2981 23.9898 -16.8629 23.9912 118.674 -2.93835 -16.8632 -2.93862 -266.735 GPRESSURE: 1610400 -8.78289 -95.9785 33.7943 -39.7074 137.966 1.44648 -56.4044 -111.253 -274.761 PRESSAVG: 1610400 -6.89667 -71.8562 1.79028 -71.8562 69.5194 42.3967 1.79024 42.3967 7.15811 GPRESSAVG: 1610400 -5.45144 -74.2599 2.1124 -72.0388 68.8085 41.2491 2.36728 41.7706 6.77749 TIMING: 1610400 CPU: 5073.72, 0.00313001/step Wall: 5073.72, 0.00313001/step, 2.94708 hours remaining, 239.382812 MB of memory in use. ENERGY: 1610400 4069.2018 20742.2641 14467.0166 251.9968 -203582.7274 2722.3736 0.0000 0.0000 51671.3018 -109658.5727 296.9557 -161329.8745 -109298.5872 298.9232 -77.1195 -48.5261 762506.1777 23.2603 23.3782 PRESSURE: 1610600 -371.644 -165.062 -133.207 -165.063 -279.787 -5.93098 -133.207 -5.93103 128.543 GPRESSURE: 1610600 -335.572 -122.763 -158.126 -156.077 -183.056 44.9828 -188.123 58.5758 93.0553 PRESSAVG: 1610600 -23.8927 -75.0675 3.15088 -75.0674 7.53793 7.10685 3.15094 7.1068 -13.806 GPRESSAVG: 1610600 -23.955 -73.2333 3.80099 -76.3939 7.82026 7.28049 0.940941 8.71913 -13.8583 TIMING: 1610600 CPU: 5074.34, 0.0031242/step Wall: 5074.34, 0.0031242/step, 2.94144 hours remaining, 239.382812 MB of memory in use. ENERGY: 1610600 4044.7489 20540.1680 14421.2386 258.6482 -203375.0283 2414.0310 0.0000 0.0000 52122.6043 -109573.5894 299.5493 -161696.1937 -109204.1231 299.0608 -174.2957 -141.8574 761232.9830 -10.0536 -9.9977 PRESSURE: 1610800 -45.8529 23.4892 -117.436 23.489 -172.566 -231.641 -117.436 -231.641 -525.855 GPRESSURE: 1610800 44.4746 -23.7351 -44.8883 7.79478 -197.931 -175.832 -100.207 -174.481 -506.344 PRESSAVG: 1610800 -6.08432 -34.4745 -50.0725 -34.4744 -21.532 17.1886 -50.0725 17.1886 5.72085 GPRESSAVG: 1610800 -6.66334 -35.8004 -50.7471 -35.7231 -21.6773 17.6389 -49.4856 13.8863 6.47012 TIMING: 1610800 CPU: 5074.97, 0.00312517/step Wall: 5074.97, 0.00312517/step, 2.94217 hours remaining, 239.382812 MB of memory in use. ENERGY: 1610800 3995.0021 20400.7940 14511.2378 262.9723 -203565.9649 2678.9064 0.0000 0.0000 51958.9487 -109758.1037 298.6088 -161717.0524 -109391.5915 298.5675 -248.0916 -219.9333 762704.4270 -7.2985 -7.2902 PRESSURE: 1611000 -67.9551 -11.4746 204.878 -11.4745 -33.9548 6.71502 204.878 6.71536 -108.73 GPRESSURE: 1611000 -38.0318 -17.0977 157.323 107.544 -11.7923 56.4356 213.325 -32.2107 -73.1392 PRESSAVG: 1611000 24.4774 -53.6487 -20.0505 -53.6487 -45.2789 11.0888 -20.0505 11.0889 -16.3163 GPRESSAVG: 1611000 25.2534 -54.5924 -21.5218 -51.4949 -46.6327 9.42302 -21.034 12.2725 -15.3447 TIMING: 1611000 CPU: 5075.59, 0.0031269/step Wall: 5075.59, 0.0031269/step, 2.94363 hours remaining, 239.382812 MB of memory in use. ENERGY: 1611000 3913.0316 20554.5104 14436.6652 229.2872 -203857.7522 2900.6697 0.0000 0.0000 51950.1519 -109873.4361 298.5582 -161823.5880 -109515.0640 298.6097 -70.2133 -40.9877 761402.9362 -12.3726 -12.2413 PRESSURE: 1611200 -183.566 -114.93 193.386 -114.93 63.3383 -90.3323 193.386 -90.3325 120.029 GPRESSURE: 1611200 -138.886 -123.421 123.055 -103.175 139.289 -27.2758 72.4701 -70.4572 79.8166 PRESSAVG: 1611200 6.21875 -43.6125 21.6406 -43.6125 13.9628 -1.48508 21.6407 -1.48504 -7.54173 GPRESSAVG: 1611200 7.38017 -41.1152 22.3662 -43.9579 15.9084 -0.489213 24.7975 -1.1435 -10.2486 TIMING: 1611200 CPU: 5076.22, 0.00313146/step Wall: 5076.22, 0.00313146/step, 2.94775 hours remaining, 239.382812 MB of memory in use. ENERGY: 1611200 4017.4311 20441.2730 14488.9870 229.9746 -203350.1950 2459.8638 0.0000 0.0000 52083.7536 -109628.9121 299.3260 -161712.6656 -109266.2443 298.5346 -0.0663 26.7397 761936.6645 4.2133 4.3467 PRESSURE: 1611400 -358.798 -215.67 84.6336 -215.671 -216.115 -302.338 84.6339 -302.338 -134.525 GPRESSURE: 1611400 -322.759 -192.621 50.7171 -207.982 -219.763 -246.972 57.8183 -248.777 -96.0256 PRESSAVG: 1611400 -11.7224 -21.4619 -33.7207 -21.4619 31.6469 -78.7914 -33.7207 -78.7914 5.93119 GPRESSAVG: 1611400 -12.6936 -22.7505 -32.8751 -20.9 30.9137 -77.5846 -35.6253 -79.6751 7.38968 TIMING: 1611400 CPU: 5076.84, 0.00312689/step Wall: 5076.84, 0.00312689/step, 2.94327 hours remaining, 239.382812 MB of memory in use. ENERGY: 1611400 3911.6575 20640.0579 14455.0283 259.0339 -203295.1479 2213.6875 0.0000 0.0000 52233.8019 -109581.8810 300.1884 -161815.6829 -109211.0195 299.0269 -236.4795 -212.8492 761808.6435 8.6185 8.5366 PRESSURE: 1611600 369.452 -113.226 148.006 -113.227 323.099 74.4917 148.006 74.492 104.073 GPRESSURE: 1611600 463.086 -187.16 189.851 -102.825 307.288 1.44549 274.086 57.152 113.573 PRESSAVG: 1611600 -19.9539 -64.3031 -23.9094 -64.303 20.1406 -3.72008 -23.9093 -3.72007 -17.6124 GPRESSAVG: 1611600 -20.5771 -64.43 -23.4554 -64.2065 20.3241 -4.49421 -22.6615 -1.64875 -16.9179 TIMING: 1611600 CPU: 5077.47, 0.00311692/step Wall: 5077.47, 0.00311692/step, 2.93372 hours remaining, 239.382812 MB of memory in use. ENERGY: 1611600 4010.4801 20447.5133 14481.1467 237.3031 -203828.7531 2833.8245 0.0000 0.0000 52328.7726 -109489.7127 300.7342 -161818.4853 -109119.7025 299.5176 265.5412 294.6490 760054.0276 -5.8085 -5.7236 PRESSURE: 1611800 -146.066 136.756 -78.3129 136.756 -77.144 -112.052 -78.3133 -112.052 -46.7208 GPRESSURE: 1611800 -126.906 113.736 -170.977 80.2975 -122.062 -150.799 -269.323 -116.549 41.8303 PRESSAVG: 1611800 -18.7307 -32.3704 -41.7228 -32.3704 6.9303 61.1913 -41.7228 61.1913 -25.0149 GPRESSAVG: 1611800 -18.1242 -33.4813 -43.5964 -31.8495 6.9533 61.1909 -42.5284 60.5869 -25.869 TIMING: 1611800 CPU: 5078.09, 0.0031158/step Wall: 5078.09, 0.0031158/step, 2.93249 hours remaining, 239.382812 MB of memory in use. ENERGY: 1611800 3986.2664 20641.2080 14476.3200 224.6472 -203078.3353 2371.3062 0.0000 0.0000 51992.1223 -109386.4653 298.7994 -161378.5875 -109023.4911 299.7840 -89.9769 -69.0460 760641.1416 -12.2718 -12.3466 PRESSURE: 1612000 -25.1736 1.76922 -165.793 1.76884 -24.4244 9.18636 -165.792 9.18668 530.09 GPRESSURE: 1612000 72.0192 7.69231 -104.365 -108.146 15.6489 -54.6575 -145.69 101.677 483.652 PRESSAVG: 1612000 -4.26663 2.47979 -38.8701 2.47976 40.1603 17.5549 -38.8702 17.5548 -7.08531 GPRESSAVG: 1612000 -5.26059 1.4015 -38.8056 2.26921 40.192 18.5064 -36.738 17.3027 -6.06622 TIMING: 1612000 CPU: 5078.71, 0.0031241/step Wall: 5078.71, 0.0031241/step, 2.94012 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1612000 3999.7116 20552.1315 14426.4497 244.5597 -203343.5381 2635.0070 0.0000 0.0000 51979.3661 -109506.3126 298.7261 -161485.6787 -109142.6017 299.5106 160.1639 190.4401 760113.6030 9.6028 9.6217 PRESSURE: 1612200 -2.96549 -34.8133 149.734 -34.8119 -230.174 188.132 149.735 188.133 -414.802 GPRESSURE: 1612200 82.6358 -28.3667 62.4483 -94.3255 -281.402 191.906 59.7471 27.6306 -370.018 PRESSAVG: 1612200 -14.2086 -62.8457 -40.0991 -62.8457 -8.44832 55.8334 -40.0991 55.8335 1.87365 GPRESSAVG: 1612200 -12.8743 -60.553 -39.8281 -64.8372 -10.3179 55.4682 -41.3376 57.7154 1.62572 TIMING: 1612200 CPU: 5079.34, 0.00313285/step Wall: 5079.34, 0.00313285/step, 2.94819 hours remaining, 239.382812 MB of memory in use. ENERGY: 1612200 3925.8873 20738.0922 14476.3968 236.4170 -203387.7635 2529.1630 0.0000 0.0000 51877.8803 -109603.9270 298.1429 -161481.8073 -109251.7694 299.2966 -215.9804 -189.5947 761147.2180 -6.9278 -7.1888 LDB: ============= START OF LOAD BALANCING ============== 5091.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5091.74 LDB: =============== DONE WITH MIGRATION ================ 5091.74 LDB: ============= START OF LOAD BALANCING ============== 5092.05 LDB: Largest compute 7062 load 0.031896 is 16.3% of average load 0.196029 LDB: Average compute 0.004374 is 2.2% of average load 0.196029 LDB: TIME 5092.06 LOAD: AVG 0.196029 MAX 0.215299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.328 MB LDB: TIME 5092.06 LOAD: AVG 0.196029 MAX 0.215299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.328 MB LDB: TIME 5092.06 LOAD: AVG 0.196029 MAX 0.215299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.328 MB LDB: ============== END OF LOAD BALANCING =============== 5092.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5092.06 PRESSURE: 1612400 -254.246 4.54801 4.87486 4.54802 -232.723 56.0755 4.87476 56.0753 -388.773 GPRESSURE: 1612400 -299.189 36.1438 14.9292 39.6451 -127.232 43.6194 56.3564 27.8791 -375.613 PRESSAVG: 1612400 7.39418 -61.6057 -47.5719 -61.6057 6.97346 2.63858 -47.5719 2.63859 -15.1695 GPRESSAVG: 1612400 7.32924 -61.0244 -45.2653 -60.1229 7.62371 1.96263 -48.1848 -1.28986 -15.8723 TIMING: 1612400 CPU: 5079.98, 0.00320815/step Wall: 5079.98, 0.00320815/step, 3.01887 hours remaining, 238.351562 MB of memory in use. ENERGY: 1612400 4067.2548 20513.9350 14392.6382 227.7235 -203259.7902 2276.0661 0.0000 0.0000 52271.8468 -109510.3258 300.4070 -161782.1726 -109140.5067 299.0532 -291.9138 -267.3448 761420.7123 -0.2673 -0.3064 PRESSURE: 1612600 21.3535 65.9414 -137.801 65.9421 -207.289 112.439 -137.801 112.439 -141.1 GPRESSURE: 1612600 -23.5203 95.3287 -110.708 113.444 -144.871 95.2735 -138.528 112.587 -77.1564 PRESSAVG: 1612600 -53.8519 -51.2919 -36.0009 -51.2919 20.1039 21.4842 -36.0009 21.4843 -4.85046 GPRESSAVG: 1612600 -55.4582 -51.6538 -38.2739 -52.247 21.1237 21.3827 -35.8509 23.1666 -4.33868 TIMING: 1612600 CPU: 5080.61, 0.00312412/step Wall: 5080.61, 0.00312412/step, 2.93963 hours remaining, 238.351562 MB of memory in use. ENERGY: 1612600 4022.2251 20555.8666 14357.9629 242.8777 -202947.3730 2392.3280 0.0000 0.0000 52014.4601 -109361.6526 298.9278 -161376.1127 -109005.1051 299.6567 -109.0121 -81.8493 762756.8923 -12.8662 -12.8911 PRESSURE: 1612800 -351.337 -139.945 -171.549 -139.946 -31.505 -245.933 -171.548 -245.934 -403.995 GPRESSURE: 1612800 -236.845 -122.377 -174.644 -187.901 -91.5626 -148.043 -272.054 -185.891 -366.663 PRESSAVG: 1612800 14.3637 -23.9203 -19.0265 -23.9202 -20.5622 -3.17492 -19.0266 -3.17496 4.04261 GPRESSAVG: 1612800 15.1225 -25.5675 -16.6245 -23.4625 -20.9249 -0.796895 -20.6088 -3.26245 3.4498 TIMING: 1612800 CPU: 5081.23, 0.00311559/step Wall: 5081.23, 0.00311559/step, 2.93143 hours remaining, 238.351562 MB of memory in use. ENERGY: 1612800 4008.6016 20429.8328 14449.0958 236.9837 -203402.1142 2663.8804 0.0000 0.0000 52083.1770 -109530.5429 299.3227 -161613.7199 -109171.8946 299.5146 -262.2791 -231.6902 763363.7518 -0.7186 -0.7842 PRESSURE: 1613000 -273.316 -186.271 194.171 -186.271 30.0384 60.0019 194.172 60.0019 -225.201 GPRESSURE: 1613000 -156.696 -161.076 78.0041 -178.353 12.131 103.178 254.95 98.0046 -230.758 PRESSAVG: 1613000 17.7396 -48.8518 22.0582 -48.8518 -10.2979 -86.2279 22.0582 -86.2278 -1.38571 GPRESSAVG: 1613000 17.3081 -47.9756 21.1 -47.1498 -8.99331 -88.8446 23.9427 -85.6196 -1.86873 TIMING: 1613000 CPU: 5081.85, 0.00311037/step Wall: 5081.85, 0.00311037/step, 2.92634 hours remaining, 238.351562 MB of memory in use. ENERGY: 1613000 4040.1618 20376.6563 14426.8626 229.8660 -203251.1035 2576.2378 0.0000 0.0000 52107.1027 -109494.2164 299.4602 -161601.3191 -109131.2700 298.9245 -156.1596 -125.1079 761902.4209 2.0187 2.1487 PRESSURE: 1613200 -181.166 -47.8683 182.686 -47.8687 -398.827 -87.6575 182.686 -87.6578 -470.577 GPRESSURE: 1613200 -140.213 -67.5661 160.76 -104.182 -306.327 -64.5677 70.1916 -36.8208 -511.87 PRESSAVG: 1613200 19.8295 -69.1074 41.9092 -69.1075 4.7141 33.1493 41.9092 33.1493 -2.15815 GPRESSAVG: 1613200 20.4673 -69.4498 40.4797 -69.9401 4.61616 32.7306 41.5442 35.2546 -1.96453 TIMING: 1613200 CPU: 5082.47, 0.00310305/step Wall: 5082.47, 0.00310305/step, 2.91928 hours remaining, 238.351562 MB of memory in use. ENERGY: 1613200 4019.9357 20427.3201 14581.0874 239.5649 -203053.0726 2218.0483 0.0000 0.0000 52123.9457 -109443.1705 299.5570 -161567.1162 -109080.4937 299.2379 -350.1898 -319.4698 760828.0707 7.4618 7.7063 PRESSURE: 1613400 176.959 -13.0831 -257.158 -13.0832 -188.627 -289.494 -257.158 -289.494 187.516 GPRESSURE: 1613400 192.789 -17.5044 -255.975 -90.9342 -209.072 -260.229 -381.831 -123.837 291.348 PRESSAVG: 1613400 -9.78604 -12.1598 -8.71256 -12.1598 36.3524 -4.6793 -8.71262 -4.67926 19.5847 GPRESSAVG: 1613400 -10.226 -11.0224 -7.94114 -12.0737 36.4953 -2.86843 -9.6521 -6.51756 19.9863 TIMING: 1613400 CPU: 5083.1, 0.00311395/step Wall: 5083.1, 0.00311395/step, 2.92936 hours remaining, 238.351562 MB of memory in use. ENERGY: 1613400 4037.0626 20710.9459 14499.5835 228.1452 -203704.7311 2944.3215 0.0000 0.0000 52156.7227 -109127.9497 299.7454 -161284.6724 -108774.7588 299.8634 58.6159 91.6882 761148.6638 15.3837 15.4185 PRESSURE: 1613600 58.3308 88.3629 -72.1465 88.3622 209.174 -133.041 -72.1462 -133.042 272.124 GPRESSURE: 1613600 92.5838 66.2704 -31.5746 91.0928 253.633 -196.588 -128.434 -150.778 280.754 PRESSAVG: 1613600 2.55756 -4.8229 37.4266 -4.82287 29.1266 9.46507 37.4266 9.46511 11.4824 GPRESSAVG: 1613600 3.01812 -4.15789 37.2135 -4.36335 29.1119 8.25224 38.4971 9.64209 11.251 TIMING: 1613600 CPU: 5083.72, 0.00311042/step Wall: 5083.72, 0.00311042/step, 2.92587 hours remaining, 238.351562 MB of memory in use. ENERGY: 1613600 3921.1524 20640.3197 14441.1642 254.8929 -203376.0024 2871.4310 0.0000 0.0000 51938.6997 -109308.3425 298.4924 -161247.0422 -108940.8541 299.7761 179.8760 208.9905 761571.6862 14.3889 14.4604 PRESSURE: 1613800 -439.672 13.8489 -29.6321 13.8484 -70.5639 -18.7681 -29.6319 -18.7684 -232.652 GPRESSURE: 1613800 -373.92 94.0099 -23.244 88.0105 -9.31695 -7.08886 17.4238 87.6909 -273.36 PRESSAVG: 1613800 0.561678 19.1382 -44.6237 19.1382 40.8617 11.2843 -44.6238 11.2842 -4.65979 GPRESSAVG: 1613800 -0.366004 20.1136 -45.3535 18.3984 41.1351 12.2278 -45.9821 12.9726 -3.67203 TIMING: 1613800 CPU: 5084.34, 0.00310852/step Wall: 5084.34, 0.00310852/step, 2.92391 hours remaining, 238.351562 MB of memory in use. ENERGY: 1613800 4009.0684 20535.3081 14422.5570 243.9133 -203131.6888 2629.4950 0.0000 0.0000 52189.6316 -109101.7155 299.9345 -161291.3470 -108734.1773 299.9468 -247.6294 -218.8656 762685.2405 12.2545 12.3657 PRESSURE: 1614000 -110.676 -138.484 -22.4277 -138.485 -69.6647 -90.6139 -22.4283 -90.6144 -145.506 GPRESSURE: 1614000 -134.134 -169.778 -142.756 -115.506 70.6109 -95.0162 -23.3428 -33.3026 -163.853 PRESSAVG: 1614000 11.7137 -12.4634 24.5948 -12.4633 13.9751 -1.67728 24.5947 -1.67729 24.6842 GPRESSAVG: 1614000 11.5863 -14.3962 24.7295 -11.5905 13.8347 -3.18463 25.1917 -2.96782 24.5596 TIMING: 1614000 CPU: 5084.96, 0.00311475/step Wall: 5084.96, 0.00311475/step, 2.92959 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1614000 4010.6676 20583.2747 14438.1993 246.3532 -202855.1099 2459.3744 0.0000 0.0000 52005.4957 -109111.7451 298.8763 -161117.2408 -108746.9918 299.6649 -108.6158 -75.7922 762981.8624 16.7910 16.6602 PRESSURE: 1614200 -26.1089 -260.283 -358.697 -260.283 176.915 30.4221 -358.697 30.4212 -422.953 GPRESSURE: 1614200 53.0254 -384.921 -286.306 -237.318 157.966 33.938 -259.559 -56.0666 -417.26 PRESSAVG: 1614200 43.9548 -74.8481 -5.98926 -74.8482 -47.8742 23.7734 -5.98928 23.7734 -20.0659 GPRESSAVG: 1614200 45.2397 -76.5917 -3.88476 -74.1895 -47.8056 25.5187 -6.52768 19.7291 -21.0655 TIMING: 1614200 CPU: 5085.59, 0.00312954/step Wall: 5085.59, 0.00312954/step, 2.94333 hours remaining, 238.351562 MB of memory in use. ENERGY: 1614200 4006.7253 20622.9189 14454.6531 231.8848 -203702.0653 2920.7852 0.0000 0.0000 52410.9958 -109054.1022 301.2067 -161465.0980 -108693.9949 300.6439 -90.7155 -68.7562 763013.4774 -7.9951 -7.8771 PRESSURE: 1614400 258.802 53.1134 -74.2825 53.1128 -340.306 243.311 -74.2821 243.312 -238.91 GPRESSURE: 1614400 333.672 -48.7279 -93.9118 105.183 -347.625 169.48 -141.173 213.152 -207.888 PRESSAVG: 1614400 11.0502 -17.7386 33.8003 -17.7386 -18.747 8.36194 33.8004 8.36183 -12.5869 GPRESSAVG: 1614400 11.2004 -17.8507 33.0521 -17.3965 -20.0179 7.61709 36.6203 11.4822 -11.6992 TIMING: 1614400 CPU: 5086.21, 0.00311432/step Wall: 5086.21, 0.00311432/step, 2.92884 hours remaining, 238.351562 MB of memory in use. ENERGY: 1614400 3948.1259 20676.1695 14425.2679 233.5375 -202576.0940 1878.7908 0.0000 0.0000 52167.0821 -109247.1203 299.8049 -161414.2024 -108878.4147 299.8511 -106.8048 -73.9473 762589.3556 -6.7612 -6.8389 PRESSURE: 1614600 -126.935 118.178 265.241 118.179 114.007 -248.837 265.24 -248.838 249.758 GPRESSURE: 1614600 -52.0448 83.4685 189.009 41.5301 84.1134 -229.621 310.394 -134.331 294.102 PRESSAVG: 1614600 56.1196 -38.6604 13.8404 -38.6604 -4.30913 -66.0532 13.8404 -66.0532 -3.70213 GPRESSAVG: 1614600 56.0081 -36.5648 13.4769 -40.882 -5.14882 -64.4206 11.8321 -67.3524 -2.94237 TIMING: 1614600 CPU: 5086.83, 0.00310314/step Wall: 5086.83, 0.00310315/step, 2.91816 hours remaining, 238.351562 MB of memory in use. ENERGY: 1614600 4022.8701 20628.8133 14416.9117 236.9482 -203282.4624 2509.5605 0.0000 0.0000 52126.2229 -109341.1357 299.5701 -161467.3586 -108981.7598 300.1372 78.9434 108.7235 760828.6704 16.0361 15.9723 PRESSURE: 1614800 156.335 -137.373 91.0884 -137.373 2.50387 33.3769 91.0885 33.377 -133.569 GPRESSURE: 1614800 111.291 -142.363 123.122 -155.395 139.25 2.52452 157.344 200.695 -127.9 PRESSAVG: 1614800 6.82897 -26.309 75.8558 -26.309 -3.52175 43.654 75.8557 43.654 2.2505 GPRESSAVG: 1614800 6.76556 -27.0886 75.8736 -25.2257 -2.7909 42.1128 75.123 44.1418 2.21657 TIMING: 1614800 CPU: 5087.45, 0.00311343/step Wall: 5087.45, 0.00311343/step, 2.92766 hours remaining, 238.351562 MB of memory in use. ENERGY: 1614800 3979.7596 20612.1170 14410.8025 241.2128 -203380.6518 2649.5140 0.0000 0.0000 52136.9877 -109350.2581 299.6320 -161487.2459 -108982.2747 300.0168 8.4234 40.8802 760127.0455 1.8526 2.0637 PRESSURE: 1615000 -470.077 -70.2171 111.447 -70.2178 154.948 -197.476 111.448 -197.476 -102.18 GPRESSURE: 1615000 -401.555 -59.6826 115.778 -46.6489 149.755 -138.922 145.386 -279.925 -90.3838 PRESSAVG: 1615000 -44.7033 -101.893 41.2873 -101.893 41.2605 -38.5878 41.2874 -38.5878 -1.42142 GPRESSAVG: 1615000 -46.333 -100.637 40.4317 -102.621 42.8694 -38.4159 40.8177 -36.8412 -1.82619 TIMING: 1615000 CPU: 5088.08, 0.00311764/step Wall: 5088.08, 0.00311764/step, 2.93145 hours remaining, 238.351562 MB of memory in use. ENERGY: 1615000 4078.5246 20362.5473 14405.1138 229.0513 -203367.2974 2639.7715 0.0000 0.0000 52021.3350 -109630.9538 298.9673 -161652.2888 -109258.8440 299.0796 -139.1034 -114.0613 759892.3347 -1.6214 -1.7633 PRESSURE: 1615200 232.361 76.7203 -49.2251 76.7201 80.4214 38.5905 -49.2255 38.5898 270.979 GPRESSURE: 1615200 261.991 72.5934 -70.4952 12.7694 108.741 65.5563 -72.9551 -100.577 285.973 PRESSAVG: 1615200 -29.1796 -37.4211 6.96962 -37.4212 44.5549 3.3107 6.96961 3.31062 18.5927 GPRESSAVG: 1615200 -28.0383 -40.0719 6.82356 -35.8455 44.3776 4.27936 7.7842 0.419992 18.0786 TIMING: 1615200 CPU: 5088.7, 0.00311076/step Wall: 5088.7, 0.00311076/step, 2.92481 hours remaining, 238.351562 MB of memory in use. ENERGY: 1615200 3923.3162 20566.0121 14451.9740 229.1700 -203437.4561 2518.3354 0.0000 0.0000 52170.2021 -109578.4461 299.8229 -161748.6482 -109201.8221 298.9156 194.5874 218.9014 761084.5887 11.3227 11.4726 PRESSURE: 1615400 35.8906 -88.2645 49.3303 -88.2645 29.355 193.452 49.3302 193.451 -111.349 GPRESSURE: 1615400 -17.3159 -51.4854 92.3304 -73.0557 109.987 247.223 -0.28648 147.228 -70.5933 PRESSAVG: 1615400 -5.98643 -38.3425 -12.9893 -38.3425 30.2397 57.9569 -12.9892 57.9569 27.9762 GPRESSAVG: 1615400 -5.06839 -36.7615 -11.7383 -39.2269 29.5513 57.3804 -14.2535 59.8212 28.0731 TIMING: 1615400 CPU: 5089.32, 0.00312069/step Wall: 5089.32, 0.00312069/step, 2.93396 hours remaining, 238.351562 MB of memory in use. ENERGY: 1615400 4000.4349 20576.4459 14443.9743 236.0029 -203301.6728 2547.7745 0.0000 0.0000 51968.6844 -109528.3559 298.6647 -161497.0403 -109161.6380 298.7254 -15.3677 7.3592 760925.7934 17.4098 17.5187 PRESSURE: 1615600 188.58 -158.247 122.03 -158.248 -216.617 -136.072 122.029 -136.073 -231.775 GPRESSURE: 1615600 60.8384 -186.708 87.1812 -124.764 -82.5211 -65.8617 37.5997 -158.531 -159.505 PRESSAVG: 1615600 -25.759 -28.278 36.1454 -28.2779 27.7178 24.5019 36.1454 24.502 -11.0881 GPRESSAVG: 1615600 -26.4556 -28.6379 34.2444 -28.5943 28.2017 24.4612 38.1373 25.1924 -10.2304 TIMING: 1615600 CPU: 5089.95, 0.00311255/step Wall: 5089.95, 0.00311255/step, 2.92614 hours remaining, 238.351562 MB of memory in use. ENERGY: 1615600 4003.6151 20479.3796 14463.2667 258.4518 -203247.9774 2547.7197 0.0000 0.0000 52047.6785 -109447.8660 299.1187 -161495.5445 -109080.5882 298.9506 -86.6038 -60.3958 761803.5822 -3.0431 -2.8281 PRESSURE: 1615800 -85.0373 -254.542 -86.9675 -254.541 -57.9214 -211.522 -86.9668 -211.522 -866.945 GPRESSURE: 1615800 -60.9331 -159.22 -77.8078 -88.7242 18.8198 -87.1346 -13.778 -148.007 -872.351 PRESSAVG: 1615800 4.67322 -47.8917 2.65036 -47.8917 14.7812 -59.6145 2.65035 -59.6146 3.04775 GPRESSAVG: 1615800 5.47776 -46.0223 4.977 -47.4193 15.0469 -58.9634 1.72236 -60.9004 2.6283 TIMING: 1615800 CPU: 5090.57, 0.00310948/step Wall: 5090.57, 0.00310948/step, 2.92309 hours remaining, 238.351562 MB of memory in use. ENERGY: 1615800 4004.8899 20443.4361 14487.6795 233.6772 -203303.9531 2453.8122 0.0000 0.0000 51961.2633 -109719.1950 298.6221 -161680.4583 -109340.3329 298.5261 -336.6346 -304.8215 761699.3920 7.5007 7.7176 PRESSURE: 1616000 116.71 -58.5442 -69.7102 -58.5433 -75.5706 8.23473 -69.7103 8.23387 83.1537 GPRESSURE: 1616000 133.791 -103.9 -42.9657 -92.8883 -43.9783 24.1995 93.3655 95.3502 121.866 PRESSAVG: 1616000 16.0563 -55.2766 29.1298 -55.2766 8.64859 -55.2304 29.1299 -55.2304 -25.5025 GPRESSAVG: 1616000 15.7711 -56.9649 27.8057 -56.8814 8.02673 -56.1382 28.286 -53.9691 -25.0148 TIMING: 1616000 CPU: 5091.19, 0.00310958/step Wall: 5091.19, 0.00310958/step, 2.923 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1616000 4039.1993 20596.4889 14467.0401 251.2525 -203366.8969 2549.3469 0.0000 0.0000 51927.1437 -109536.4253 298.4260 -161463.5690 -109185.2731 298.8247 41.4310 70.5595 760277.4147 -0.2659 -0.4057 PRESSURE: 1616200 -138.372 75.1043 -21.5171 75.104 35.2759 113.21 -21.5172 113.21 -6.27325 GPRESSURE: 1616200 -159.389 184.486 -30.0099 81.0739 192.209 19.8102 -22.8906 132.185 -56.6054 PRESSAVG: 1616200 -49.5429 -57.452 28.2016 -57.452 14.8555 33.923 28.2016 33.9229 5.55811 GPRESSAVG: 1616200 -48.7382 -58.8333 29.1422 -55.8141 16.6961 34.2575 30.0674 33.8533 3.55852 TIMING: 1616200 CPU: 5091.81, 0.0031169/step Wall: 5091.81, 0.0031169/step, 2.92971 hours remaining, 238.351562 MB of memory in use. ENERGY: 1616200 3996.7589 20491.3437 14442.6864 246.0952 -203553.6524 2641.4625 0.0000 0.0000 51792.9681 -109942.3376 297.6549 -161735.3057 -109588.6602 298.3066 -36.4563 -7.9284 759884.2871 -9.7098 -9.4945 LDB: ============= START OF LOAD BALANCING ============== 5104.21 LDB: ============== END OF LOAD BALANCING =============== 5104.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5104.21 LDB: ============= START OF LOAD BALANCING ============== 5104.52 LDB: Largest compute 7062 load 0.032357 is 16.5% of average load 0.196019 LDB: Average compute 0.004385 is 2.2% of average load 0.196019 LDB: TIME 5104.53 LOAD: AVG 0.196019 MAX 0.213714 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 5104.53 LOAD: AVG 0.196019 MAX 0.213714 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: TIME 5104.53 LOAD: AVG 0.196019 MAX 0.213714 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: ============== END OF LOAD BALANCING =============== 5104.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5104.54 PRESSURE: 1616400 -7.48984 81.8835 122.827 81.8835 162.14 57.2862 122.826 57.285 -157.808 GPRESSURE: 1616400 -17.7178 164.502 36.7329 147.325 230.789 47.7537 -20.1563 58.6006 -129.536 PRESSAVG: 1616400 -38.2123 -10.9561 68.1503 -10.9561 48.1296 29.4382 68.1502 29.4382 40.5392 GPRESSAVG: 1616400 -38.4872 -9.46798 67.2953 -11.805 47.7234 28.2349 67.2467 29.5775 41.6466 TIMING: 1616400 CPU: 5092.45, 0.00319958/step Wall: 5092.45, 0.00319958/step, 3.00725 hours remaining, 237.839844 MB of memory in use. ENERGY: 1616400 3945.9439 20597.3971 14476.5774 230.3656 -203453.1026 2708.8862 0.0000 0.0000 51760.6406 -109733.2918 297.4691 -161493.9324 -109368.5674 298.5108 -1.0528 27.8451 760467.5064 16.8188 16.9609 PRESSURE: 1616600 -41.7989 -181.575 163.775 -181.576 -182.205 56.8049 163.775 56.8054 76.7095 GPRESSURE: 1616600 27.8992 -161.678 102.345 -162.204 -171.267 10.1382 215.142 34.1487 84.7545 PRESSAVG: 1616600 18.8813 -26.4627 50.6859 -26.4627 -8.07564 41.9167 50.6859 41.9168 5.92102 GPRESSAVG: 1616600 19.6273 -27.5135 51.019 -26.3865 -8.37421 42.3008 49.5957 40.9553 5.74835 TIMING: 1616600 CPU: 5093.08, 0.0031329/step Wall: 5093.08, 0.0031329/step, 2.94441 hours remaining, 237.839844 MB of memory in use. ENERGY: 1616600 4018.6947 20633.8021 14432.2762 232.1128 -203274.0119 2281.6910 0.0000 0.0000 52045.1418 -109630.2934 299.1041 -161675.4352 -109277.2975 298.8716 -49.0981 -19.5378 761349.1239 5.5756 5.6671 PRESSURE: 1616800 -117.109 -105.161 83.2189 -105.16 -119.332 85.1197 83.2187 85.1202 366.276 GPRESSURE: 1616800 -103.314 -118.769 -44.2906 5.51811 -155.826 137.739 226.112 -15.4539 474.964 PRESSAVG: 1616800 -42.6968 -44.49 25.524 -44.49 9.87723 45.3874 25.524 45.3874 3.24747 GPRESSAVG: 1616800 -42.7676 -43.1907 24.9386 -43.8598 8.49155 45.9657 26.3469 45.7028 4.84917 TIMING: 1616800 CPU: 5093.71, 0.0031292/step Wall: 5093.71, 0.0031292/step, 2.94076 hours remaining, 237.839844 MB of memory in use. ENERGY: 1616800 4068.8600 20522.8775 14442.5345 249.7860 -203835.6656 2880.4967 0.0000 0.0000 52020.7852 -109650.3258 298.9642 -161671.1110 -109289.3650 299.2102 43.2786 71.9412 761642.9491 -9.8574 -9.8090 PRESSURE: 1617000 -93.892 -129.972 -124.489 -129.972 84.7807 63.1124 -124.489 63.113 -1.70079 GPRESSURE: 1617000 -50.0366 -66.195 -131.178 -182.438 114.309 160.243 -114.963 58.0311 19.2185 PRESSAVG: 1617000 2.07185 -46.579 -9.19043 -46.579 -23.4032 -17.8052 -9.19038 -17.8051 -2.58569 GPRESSAVG: 1617000 2.30292 -45.9569 -8.85695 -47.4691 -21.7268 -17.1299 -7.06605 -18.539 -4.3534 TIMING: 1617000 CPU: 5094.33, 0.00313081/step Wall: 5094.33, 0.00313081/step, 2.94209 hours remaining, 237.839844 MB of memory in use. ENERGY: 1617000 3970.0009 20789.0832 14443.1297 239.2551 -203495.7378 2390.3120 0.0000 0.0000 51967.8675 -109696.0894 298.6600 -161663.9569 -109334.5619 299.1433 -3.6040 27.8303 760550.5843 -7.9724 -7.9258 PRESSURE: 1617200 165.498 -90.2315 -147.638 -90.2319 399.163 -373.728 -147.638 -373.728 124.578 GPRESSURE: 1617200 189.489 -103.362 -70.6314 -66.7553 469.959 -259.079 -96.594 -216.712 107.309 PRESSAVG: 1617200 -17.1148 -24.6761 -6.93266 -24.6761 38.7797 -3.10237 -6.93262 -3.10242 -2.68871 GPRESSAVG: 1617200 -17.7213 -27.5477 -5.04692 -23.5216 38.5343 -3.93629 -9.30324 -1.42389 -1.67387 TIMING: 1617200 CPU: 5094.96, 0.00312469/step Wall: 5094.96, 0.00312469/step, 2.93617 hours remaining, 237.839844 MB of memory in use. ENERGY: 1617200 4008.1977 20650.2689 14493.8528 237.0759 -203931.2820 2921.7536 0.0000 0.0000 52060.4676 -109559.6653 299.1922 -161620.1330 -109198.9425 299.5049 229.7465 255.5854 760092.3813 6.3254 6.3797 PRESSURE: 1617400 -314.936 15.1919 -214.253 15.1914 -8.63627 -65.2352 -214.253 -65.2358 49.2524 GPRESSURE: 1617400 -171.375 25.8265 -172.466 39.5988 19.5222 -66.2848 -51.3826 -130.227 -59.3804 PRESSAVG: 1617400 -37.5053 -0.952555 -8.81875 -0.952528 61.952 -6.05148 -8.81878 -6.0515 -31.4445 GPRESSAVG: 1617400 -36.9166 0.529652 -9.94582 -2.36815 62.7174 -5.09203 -8.52678 -6.37629 -32.2123 TIMING: 1617400 CPU: 5095.58, 0.00311514/step Wall: 5095.58, 0.00311514/step, 2.92702 hours remaining, 237.839844 MB of memory in use. ENERGY: 1617400 4004.0701 20506.3390 14468.5454 261.5072 -203034.1898 2324.0125 0.0000 0.0000 51967.4932 -109502.2224 298.6579 -161469.7156 -109137.6559 299.5199 -91.4400 -70.4111 761129.3430 -2.3326 -2.1372 PRESSURE: 1617600 -180.502 -74.8197 312.841 -74.82 -216.754 257.267 312.841 257.267 -27.2719 GPRESSURE: 1617600 -31.1175 -101.301 247.753 22.4852 -270.041 278.297 333.114 79.6121 -49.5471 PRESSAVG: 1617600 -16.8678 -99.9447 -11.3897 -99.9448 39.1025 -9.42507 -11.3896 -9.42511 -9.15237 GPRESSAVG: 1617600 -17.6621 -98.3804 -11.0081 -99.5031 38.6803 -10.6002 -9.79036 -9.9868 -8.27766 TIMING: 1617600 CPU: 5096.21, 0.00312502/step Wall: 5096.21, 0.00312502/step, 2.93613 hours remaining, 237.839844 MB of memory in use. ENERGY: 1617600 3960.7553 20770.9027 14471.4436 255.7319 -203388.3171 2528.3221 0.0000 0.0000 52024.3111 -109376.8505 298.9844 -161401.1616 -109022.6150 300.0325 -141.5093 -116.9019 762066.8247 4.3608 4.2469 PRESSURE: 1617800 164.062 -253.614 -150.77 -253.615 154.638 -0.695804 -150.771 -0.694732 42.9257 GPRESSURE: 1617800 177.05 -226.475 -88.6667 -284.597 130.739 -14.9051 -255.797 -27.4777 125.058 PRESSAVG: 1617800 -41.8684 -53.6413 -25.5104 -53.6413 60.2724 -4.77531 -25.5103 -4.77531 -12.3053 GPRESSAVG: 1617800 -42.3493 -56.1373 -25.275 -51.6882 60.223 -4.49188 -26.6515 -5.80533 -12.0156 TIMING: 1617800 CPU: 5096.83, 0.00313238/step Wall: 5096.83, 0.00313238/step, 2.94287 hours remaining, 237.839844 MB of memory in use. ENERGY: 1617800 3944.1087 20459.4561 14500.7373 259.8285 -203930.3461 2926.2652 0.0000 0.0000 52274.1172 -109565.8331 300.4201 -161839.9503 -109203.2694 299.8390 120.5420 144.2826 759980.6283 2.0329 1.9527 PRESSURE: 1618000 -319.319 -103.793 -145.92 -103.793 -247.141 19.3524 -145.919 19.3522 -116.247 GPRESSURE: 1618000 -306.001 -125.751 -95.407 31.666 -204.913 -132.156 -103.892 -71.8612 -102.419 PRESSAVG: 1618000 3.5797 -24.1683 -46.2869 -24.1683 32.198 8.79808 -46.2868 8.79817 6.02608 GPRESSAVG: 1618000 3.98188 -23.0496 -47.0834 -27.9164 32.3614 8.26944 -44.1811 9.5108 5.65818 TIMING: 1618000 CPU: 5097.46, 0.00312853/step Wall: 5097.46, 0.00312853/step, 2.93908 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1618000 3977.3966 20404.3746 14434.7265 263.5928 -203887.9538 2806.8908 0.0000 0.0000 52429.0809 -109571.8916 301.3106 -162000.9724 -109193.5640 299.3901 -227.5691 -204.4443 762317.9104 13.9346 14.0005 PRESSURE: 1618200 -120.487 144.835 217.868 144.833 -191.871 -156.504 217.868 -156.504 -218.775 GPRESSURE: 1618200 -132.52 45.2295 188.204 38.4996 -72.0754 -66.7977 115.921 3.46603 -245.93 PRESSAVG: 1618200 -5.42991 -32.9619 37.844 -32.9619 -25.4922 -3.70144 37.844 -3.70138 -3.77041 GPRESSAVG: 1618200 -5.77192 -33.1923 38.0915 -32.4639 -25.9603 -3.28131 35.7162 -4.05261 -3.06531 TIMING: 1618200 CPU: 5098.08, 0.00311348/step Wall: 5098.08, 0.00311348/step, 2.92477 hours remaining, 237.839844 MB of memory in use. ENERGY: 1618200 3971.8760 20429.4339 14443.2436 250.7678 -203814.2388 2591.7534 0.0000 0.0000 51984.0073 -110143.1567 298.7528 -162127.1640 -109775.2063 298.4840 -177.0446 -150.1751 760657.3883 -11.5642 -11.5992 PRESSURE: 1618400 -6.19307 -142.322 72.9687 -142.322 48.0106 144.759 72.9692 144.759 -20.153 GPRESSURE: 1618400 53.9748 -95.4006 112.756 -149.445 38.4441 271.124 38.4874 129.415 28.6469 PRESSAVG: 1618400 9.70655 -54.9606 60.9545 -54.9606 -9.67269 29.4668 60.9545 29.4668 9.72553 GPRESSAVG: 1618400 10.9371 -55.0403 61.9754 -55.211 -10.4041 27.935 59.4102 31.8609 9.11684 TIMING: 1618400 CPU: 5098.7, 0.00312118/step Wall: 5098.7, 0.00312118/step, 2.93183 hours remaining, 237.839844 MB of memory in use. ENERGY: 1618400 3978.8393 20302.5648 14409.6375 247.6584 -203421.7274 2433.9998 0.0000 0.0000 51933.1542 -110115.8735 298.4606 -162049.0277 -109750.2924 297.6657 7.2215 40.3553 761058.8560 3.2531 3.2166 PRESSURE: 1618600 15.5378 66.5916 -144.571 66.5914 41.4187 168.319 -144.571 168.319 295.744 GPRESSURE: 1618600 56.8535 26.1352 -220.232 -1.07766 157.738 164.435 -77.5998 62.8726 223.316 PRESSAVG: 1618600 -24.2293 -27.0145 41.0585 -27.0146 26.3001 9.77628 41.0584 9.77637 6.54737 GPRESSAVG: 1618600 -23.6958 -26.4277 41.2529 -27.4856 26.2972 11.1353 42.0243 6.0993 6.35047 TIMING: 1618600 CPU: 5099.33, 0.00311723/step Wall: 5099.33, 0.00311723/step, 2.92794 hours remaining, 237.839844 MB of memory in use. ENERGY: 1618600 3968.2755 20521.4108 14487.1706 257.3198 -203557.2303 2503.8705 0.0000 0.0000 51804.5174 -110014.6657 297.7213 -161819.1831 -109657.3104 297.9463 117.5668 145.9689 759988.5431 2.8727 2.9840 PRESSURE: 1618800 -233.73 18.1428 -85.144 18.1424 -222.254 -130.731 -85.1443 -130.731 -48.318 GPRESSURE: 1618800 -265.921 -71.0376 -153.671 5.85415 -236.692 -92.0194 42.6698 -45.3772 81.4524 PRESSAVG: 1618800 -21.3144 -15.3027 -22.559 -15.3027 37.2839 40.2867 -22.559 40.2866 -7.4223 GPRESSAVG: 1618800 -22.2723 -15.282 -23.0491 -12.7715 37.3589 39.0437 -21.1093 45.0308 -6.98856 TIMING: 1618800 CPU: 5099.95, 0.00311991/step Wall: 5099.95, 0.00311992/step, 2.93029 hours remaining, 237.839844 MB of memory in use. ENERGY: 1618800 4007.2955 20545.5917 14400.5349 257.9003 -203537.9567 2556.1065 0.0000 0.0000 51872.6819 -109897.8459 298.1130 -161770.5279 -109541.4071 298.4774 -168.1007 -140.3871 761654.2117 2.8491 2.6993 PRESSURE: 1619000 -295.754 -153.935 233.594 -153.935 -312.663 161.384 233.593 161.382 246.818 GPRESSURE: 1619000 -223.691 -157.85 252.132 -29.7753 -280.901 64.8325 141.775 145.642 225.822 PRESSAVG: 1619000 -10.6382 -15.5566 31.853 -15.5566 -16.2139 26.9665 31.853 26.9665 -11.8735 GPRESSAVG: 1619000 -11.0915 -18.317 32.0935 -14.6374 -15.9426 27.8718 31.9781 25.1055 -12.1118 TIMING: 1619000 CPU: 5100.58, 0.00313018/step Wall: 5100.58, 0.00313018/step, 2.93976 hours remaining, 237.839844 MB of memory in use. ENERGY: 1619000 4033.8819 20539.0119 14475.8838 247.0113 -203245.9344 2422.0392 0.0000 0.0000 51787.9519 -109740.1544 297.6261 -161528.1063 -109379.5784 298.2490 -120.5330 -92.9237 759368.9835 -12.9085 -13.0486 PRESSURE: 1619200 -122.812 83.9848 -233.046 83.9844 105.795 78.0811 -233.046 78.0814 136.817 GPRESSURE: 1619200 -50.4046 86.7293 -126.685 28.0456 141.451 101.854 -252.768 84.4545 118.313 PRESSAVG: 1619200 -44.4292 -30.8303 -63.164 -30.8303 31.5109 -8.50752 -63.164 -8.50752 28.9113 GPRESSAVG: 1619200 -44.2573 -28.8402 -64.341 -32.5781 32.1115 -6.9507 -62.5709 -9.85919 28.4658 TIMING: 1619200 CPU: 5101.2, 0.00312012/step Wall: 5101.2, 0.00312012/step, 2.93014 hours remaining, 237.839844 MB of memory in use. ENERGY: 1619200 4068.3467 20483.8812 14498.6872 220.1286 -203296.2976 2515.1674 0.0000 0.0000 51780.0327 -109730.0538 297.5806 -161510.0865 -109378.7906 298.5896 39.9331 69.7864 761627.3364 5.3310 5.4400 PRESSURE: 1619400 -69.3947 -217.675 -58.5931 -217.676 52.4089 -198.642 -58.5938 -198.643 -407.697 GPRESSURE: 1619400 -66.7351 -251.496 -137.248 -215.656 121.324 -98.9097 -29.7187 -165.639 -379.588 PRESSAVG: 1619400 -27.3401 -25.9249 55.4782 -25.925 21.1121 -3.234 55.4781 -3.23398 3.23091 GPRESSAVG: 1619400 -26.5274 -24.6984 56.4628 -25.5881 21.1781 -3.78387 52.5298 -1.90055 2.43925 TIMING: 1619400 CPU: 5101.83, 0.003121/step Wall: 5101.83, 0.003121/step, 2.93079 hours remaining, 237.839844 MB of memory in use. ENERGY: 1619400 3966.2097 20520.6373 14474.5913 233.8620 -203428.4725 2581.6059 0.0000 0.0000 51847.3111 -109804.2552 297.9672 -161651.5663 -109445.5449 298.7274 -141.5608 -108.3329 760625.1747 -0.9990 -0.9700 PRESSURE: 1619600 -331.271 218.206 -33.4168 218.207 -236.171 47.1353 -33.4162 47.1339 -5.77307 GPRESSURE: 1619600 -388.999 62.303 -110.231 83.1146 -132.214 -0.605972 171.164 48.1614 41.3637 PRESSAVG: 1619600 -34.8144 -48.0493 -20.9573 -48.0493 55.8687 -21.6428 -20.9573 -21.6428 -25.0674 GPRESSAVG: 1619600 -36.0449 -49.7591 -22.0936 -49.8857 56.7858 -21.6968 -16.5173 -20.8607 -24.7966 TIMING: 1619600 CPU: 5102.45, 0.0031357/step Wall: 5102.45, 0.0031357/step, 2.94442 hours remaining, 237.839844 MB of memory in use. ENERGY: 1619600 3995.0956 20506.6457 14407.4310 246.6042 -203349.8587 2393.9213 0.0000 0.0000 51908.4801 -109891.6808 298.3187 -161800.1609 -109541.2373 298.6690 -191.0717 -159.9496 762291.9827 -1.3377 -1.3519 PRESSURE: 1619800 -183.616 -58.4487 59.9272 -58.4489 15.6809 45.2265 59.9271 45.2254 134.741 GPRESSURE: 1619800 -56.6998 37.2908 62.0603 -58.7682 31.4869 22.8144 202.981 -26.7272 87.5404 PRESSAVG: 1619800 -11.6539 -1.83332 49.034 -1.83338 3.81973 -52.9864 49.0341 -52.9864 1.38436 GPRESSAVG: 1619800 -10.4397 -2.38905 49.4315 0.588004 2.94106 -52.9477 47.1065 -54.1545 1.43089 TIMING: 1619800 CPU: 5103.08, 0.0031351/step Wall: 5103.08, 0.0031351/step, 2.94369 hours remaining, 237.839844 MB of memory in use. ENERGY: 1619800 3923.4962 20473.7071 14452.2981 237.8855 -203493.8174 2463.1097 0.0000 0.0000 51936.9878 -110006.3330 298.4826 -161943.3208 -109634.3234 298.5210 -11.0647 20.7759 762028.1260 -2.1499 -2.0226 PRESSURE: 1620000 -256.742 -117.042 -21.7295 -117.043 -376.237 64.3098 -21.7288 64.3109 15.9253 GPRESSURE: 1620000 -206.553 -98.4354 -68.2368 -211.963 -324.329 -19.3731 56.1114 32.8639 -5.68163 PRESSAVG: 1620000 2.02253 25.5917 -13.1688 25.5917 5.38206 -19.2641 -13.1689 -19.264 -9.35416 GPRESSAVG: 1620000 2.33607 26.3744 -12.2938 23.5398 5.27251 -19.9377 -11.8711 -17.4548 -9.23616 TIMING: 1620000 CPU: 5103.71, 0.00313302/step Wall: 5103.71, 0.00313302/step, 2.94156 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1620000 4012.1273 20650.0185 14391.6461 251.6909 -203413.0145 2534.2404 0.0000 0.0000 51780.2609 -109793.0304 297.5819 -161573.2913 -109436.2125 298.4466 -205.6845 -178.8545 762584.5514 -0.6499 -0.5425 PRESSURE: 1620200 73.2528 171.127 68.9935 171.128 140.298 133.765 68.9932 133.764 12.2157 GPRESSURE: 1620200 76.1003 153.096 13.7637 183.681 99.5274 145.488 -58.7741 24.2708 128.203 PRESSAVG: 1620200 -16.6404 20.3383 -34.083 20.3383 16.1619 -4.3504 -34.083 -4.35036 -21.1367 GPRESSAVG: 1620200 -17.3153 21.7771 -33.5423 19.925 15.2391 -4.12984 -34.1346 -6.42205 -19.6304 TIMING: 1620200 CPU: 5104.33, 0.00312891/step Wall: 5104.33, 0.00312891/step, 2.93752 hours remaining, 237.839844 MB of memory in use. ENERGY: 1620200 4055.8716 20722.7144 14417.1623 225.3930 -203357.8387 2703.7719 0.0000 0.0000 51641.5578 -109591.3677 296.7847 -161232.9254 -109254.8248 298.5023 75.2556 101.2768 761242.4316 -7.2051 -7.2355 LDB: ============= START OF LOAD BALANCING ============== 5116.73 LDB: ============== END OF LOAD BALANCING =============== 5116.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5116.73 LDB: ============= START OF LOAD BALANCING ============== 5117.05 LDB: Largest compute 7062 load 0.032648 is 16.7% of average load 0.196077 LDB: Average compute 0.004368 is 2.2% of average load 0.196077 LDB: TIME 5117.05 LOAD: AVG 0.196077 MAX 0.215537 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 5117.05 LOAD: AVG 0.196077 MAX 0.215537 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 5117.05 LOAD: AVG 0.196077 MAX 0.215537 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 5117.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5117.06 PRESSURE: 1620400 65.4001 5.27896 -75.1543 5.27863 -20.7693 -59.8423 -75.1534 -59.842 -50.3435 GPRESSURE: 1620400 95.6438 -19.8196 -105.499 75.0675 81.5365 -41.2129 -21.993 -28.0463 -102.997 PRESSAVG: 1620400 19.3258 3.93108 -4.02302 3.93111 9.5523 -21.9656 -4.02303 -21.9656 -1.7268 GPRESSAVG: 1620400 19.4174 2.62995 -5.11744 6.96472 10.8741 -22.2332 -4.25522 -21.8086 -3.80752 TIMING: 1620400 CPU: 5104.97, 0.00321169/step Wall: 5104.97, 0.00321169/step, 3.01506 hours remaining, 237.839844 MB of memory in use. ENERGY: 1620400 3978.2755 20606.0388 14457.5167 237.5269 -203778.6036 2886.8553 0.0000 0.0000 52052.6187 -109559.7717 299.1471 -161612.3904 -109205.7956 299.0440 -1.9042 24.7279 762775.8218 9.0504 8.8280 PRESSURE: 1620600 -46.3934 -18.0046 48.8306 -18.0051 95.0335 -186.897 48.8305 -186.899 34.901 GPRESSURE: 1620600 29.2407 -19.7794 1.3034 -37.9095 40.2198 -130.64 -32.2627 -131.85 97.0463 PRESSAVG: 1620600 -6.44458 -25.8911 -25.5372 -25.8911 -14.8506 19.5272 -25.5372 19.5272 -6.38592 GPRESSAVG: 1620600 -6.08959 -26.4888 -25.0134 -26.1534 -15.7588 19.0582 -28.1089 21.2026 -5.00421 TIMING: 1620600 CPU: 5105.6, 0.00312399/step Wall: 5105.6, 0.00312399/step, 2.93256 hours remaining, 238.042969 MB of memory in use. ENERGY: 1620600 3989.9985 20455.2697 14418.2233 252.8571 -203624.7300 2854.8645 0.0000 0.0000 52087.2945 -109566.2224 299.3464 -161653.5169 -109192.6658 299.2928 27.8470 55.5022 761742.8911 -9.2270 -8.9509 PRESSURE: 1620800 -480.596 -329.944 115.781 -329.943 -168.691 180.985 115.781 180.984 -14.8463 GPRESSURE: 1620800 -390.517 -373.862 15.2096 -395.945 -227.892 72.1092 113.248 225.609 45.7767 PRESSAVG: 1620800 -21.4708 -28.1753 23.6749 -28.1753 26.1397 -37.7609 23.675 -37.7609 -2.51279 GPRESSAVG: 1620800 -20.7816 -27.1059 23.4517 -30.4322 26.8018 -37.7869 25.3189 -37.9811 -3.21867 TIMING: 1620800 CPU: 5106.23, 0.00313531/step Wall: 5106.23, 0.00313531/step, 2.94301 hours remaining, 238.042969 MB of memory in use. ENERGY: 1620800 3970.8300 20598.8002 14441.0762 253.6415 -203183.9204 2466.7102 0.0000 0.0000 52055.5010 -109397.3613 299.1637 -161452.8624 -109036.8736 299.5961 -221.3779 -190.8776 762234.9268 0.7187 0.9338 PRESSURE: 1621000 -168.911 -135.016 5.96399 -135.016 -449.953 89.4452 5.96441 89.4449 -238.258 GPRESSURE: 1621000 -148.225 -95.8081 45.9152 -78.8635 -424.812 140.762 -78.2444 73.4428 -176.18 PRESSAVG: 1621000 19.8612 -39.2513 -30.02 -39.2513 -33.7497 -33.5219 -30.0199 -33.5219 16.722 GPRESSAVG: 1621000 20.292 -39.8606 -30.2129 -39.2424 -33.6192 -33.0473 -29.1153 -34.4667 16.4912 TIMING: 1621000 CPU: 5106.85, 0.00313787/step Wall: 5106.85, 0.00313787/step, 2.94524 hours remaining, 238.042969 MB of memory in use. ENERGY: 1621000 4018.0387 20483.9208 14436.3976 243.4024 -202681.0369 1918.1724 0.0000 0.0000 52130.2483 -109450.8567 299.5933 -161581.1049 -109086.8658 299.5709 -285.7072 -249.7387 761611.3337 0.9445 1.0547 PRESSURE: 1621200 -188.911 161.063 -154.067 161.063 -104.754 17.9382 -154.067 17.9377 175.38 GPRESSURE: 1621200 -109.158 22.9503 -199.543 142.023 -16.4007 -72.6568 -158.46 65.4686 81.415 PRESSAVG: 1621200 54.1599 -38.5022 -25.6127 -38.5023 -14.2003 24.1732 -25.6127 24.1731 23.4833 GPRESSAVG: 1621200 52.8343 -38.3982 -25.9397 -39.7061 -13.0727 23.8603 -26.2479 23.9711 23.7473 TIMING: 1621200 CPU: 5107.48, 0.00314447/step Wall: 5107.48, 0.00314447/step, 2.95126 hours remaining, 238.042969 MB of memory in use. ENERGY: 1621200 4039.3021 20577.1228 14464.1049 253.3893 -203677.8237 2697.1806 0.0000 0.0000 52089.0261 -109557.6980 299.3563 -161646.7240 -109192.2284 299.4268 -39.4287 -14.7147 761239.0325 21.1477 21.1696 PRESSURE: 1621400 -175.931 -136.482 89.3551 -136.482 100.45 40.5761 89.3549 40.5771 -65.1411 GPRESSURE: 1621400 -137.237 -84.4447 87.0549 -185.961 152.221 69.61 -77.8967 146.234 -69.5919 PRESSAVG: 1621400 -34.5914 -44.3136 -44.337 -44.3136 49.5426 9.89535 -44.337 9.89526 0.138318 GPRESSAVG: 1621400 -34.7026 -44.0521 -42.208 -43.7157 48.564 10.3183 -44.4556 11.5869 0.26535 TIMING: 1621400 CPU: 5108.11, 0.00314164/step Wall: 5108.11, 0.00314164/step, 2.94843 hours remaining, 238.042969 MB of memory in use. ENERGY: 1621400 3967.1383 20495.4311 14402.9560 238.1342 -203678.0151 2606.5723 0.0000 0.0000 52224.2378 -109743.5455 300.1334 -161967.7832 -109384.5945 299.2577 -46.8743 -18.2027 762264.6819 5.0298 4.7089 PRESSURE: 1621600 -39.3234 56.4971 -118.62 56.4964 302.997 -188.675 -118.619 -188.675 77.3389 GPRESSURE: 1621600 -36.9546 4.99116 -108.712 2.32113 328.249 -119.484 -49.1419 -80.8611 119.639 PRESSAVG: 1621600 -65.5636 -2.43491 17.6221 -2.43493 80.6879 25.5389 17.6221 25.5388 -9.91678 GPRESSAVG: 1621600 -65.9002 -2.19552 16.7066 -2.57873 81.6337 26.9781 18.2759 25.6677 -10.5348 TIMING: 1621600 CPU: 5108.74, 0.00312582/step Wall: 5108.74, 0.00312582/step, 2.93341 hours remaining, 238.042969 MB of memory in use. ENERGY: 1621600 3969.0759 20314.4275 14478.1879 249.7554 -203742.8338 2793.3475 0.0000 0.0000 52108.0433 -109829.9962 299.4656 -161938.0396 -109460.3742 299.2900 113.6709 136.9777 759265.3997 1.7359 1.7329 PRESSURE: 1621800 -1.79681 -14.5613 33.5592 -14.5611 81.9115 271.835 33.5584 271.837 304.492 GPRESSURE: 1621800 -14.2748 -96.9331 90.9105 71.1941 157.384 337.535 75.751 200.548 318.995 PRESSAVG: 1621800 -25.1979 27.1466 50.4977 27.1465 15.2032 0.704535 50.4977 0.704599 1.60533 GPRESSAVG: 1621800 -24.7489 26.3158 51.5823 29.1645 14.8785 0.968849 50.2692 -0.628198 1.33294 TIMING: 1621800 CPU: 5109.36, 0.00311776/step Wall: 5109.36, 0.00311776/step, 2.92567 hours remaining, 238.042969 MB of memory in use. ENERGY: 1621800 3935.2280 20563.7625 14502.1120 250.5093 -203407.7176 2510.6346 0.0000 0.0000 52090.4595 -109555.0117 299.3646 -161645.4712 -109203.5610 299.0994 128.2024 154.0347 760944.4722 -2.7965 -2.8458 PRESSURE: 1622000 466.183 12.4424 163.414 12.4417 -33.4519 -71.3783 163.414 -71.3793 212.734 GPRESSURE: 1622000 482.311 -21.228 141.227 81.1536 68.7592 -124.529 141.909 -14.1509 202.39 PRESSAVG: 1622000 13.6627 42.2557 24.112 42.2557 27.0353 13.9755 24.112 13.9755 5.18621 GPRESSAVG: 1622000 13.9443 43.0992 21.5417 43.4047 27.1473 11.9341 22.5423 13.3636 5.72221 TIMING: 1622000 CPU: 5109.99, 0.0031404/step Wall: 5109.99, 0.0031404/step, 2.94674 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1622000 4000.5413 20206.8633 14481.9988 241.7838 -203417.3346 2684.5087 0.0000 0.0000 52117.4441 -109684.1946 299.5197 -161801.6387 -109319.0496 299.3510 215.1547 251.1535 761542.4906 15.2947 15.6046 PRESSURE: 1622200 309.87 -43.0078 -140.294 -43.0075 423.012 -119.582 -140.294 -119.583 245.498 GPRESSURE: 1622200 334.644 -164.808 -154.491 -67.0982 354.576 -140.496 -185.421 0.766715 372.976 PRESSAVG: 1622200 28.9157 29.7288 -2.55191 29.7288 24.2413 68.0825 -2.55193 68.0825 22.7784 GPRESSAVG: 1622200 28.1774 29.5839 0.0774905 27.0435 25.0395 67.2573 -3.29839 68.0493 23.1586 TIMING: 1622200 CPU: 5110.62, 0.00313372/step Wall: 5110.62, 0.00313372/step, 2.9403 hours remaining, 238.042969 MB of memory in use. ENERGY: 1622200 4003.2898 20481.0954 14478.9698 244.7657 -203411.3477 2476.7608 0.0000 0.0000 52125.2394 -109601.2268 299.5645 -161726.4661 -109236.8231 299.6621 326.1268 354.0652 759427.2189 25.3118 25.4585 PRESSURE: 1622400 203.64 -183.942 88.3901 -183.942 398.477 336.427 88.3899 336.426 254.021 GPRESSURE: 1622400 210.557 -210.698 -23.427 -267.379 409.631 316 124.276 402.234 297.909 PRESSAVG: 1622400 -42.2028 -48.3371 10.8675 -48.3371 44.2592 -20.7026 10.8674 -20.7025 3.46429 GPRESSAVG: 1622400 -41.2117 -48.4062 10.4245 -46.4202 44.6309 -20.1242 11.772 -17.9026 2.1591 TIMING: 1622400 CPU: 5111.24, 0.0031487/step Wall: 5111.24, 0.0031487/step, 2.95418 hours remaining, 238.042969 MB of memory in use. ENERGY: 1622400 4108.5497 20478.4082 14486.8390 249.0292 -203861.5144 2843.4582 0.0000 0.0000 52103.3591 -109591.8711 299.4387 -161695.2302 -109248.5577 299.3263 285.3792 306.0322 760362.8824 1.8402 1.8594 PRESSURE: 1622600 -107.107 -131.479 127.776 -131.479 89.6898 -81.2637 127.776 -81.2637 -129.389 GPRESSURE: 1622600 -140.024 -66.7061 18.6004 -197.424 154.55 -56.6143 231.657 -81.8271 -89.222 PRESSAVG: 1622600 -65.3974 -62.3922 -55.3479 -62.3922 54.5177 13.0985 -55.3479 13.0985 -19.789 GPRESSAVG: 1622600 -65.6298 -60.8218 -57.4408 -63.6023 53.476 13.1477 -55.4446 13.573 -18.9192 TIMING: 1622600 CPU: 5111.87, 0.00314341/step Wall: 5111.87, 0.00314341/step, 2.94904 hours remaining, 238.042969 MB of memory in use. ENERGY: 1622600 4021.9253 20510.4626 14455.8407 248.7919 -203308.7619 2473.8755 0.0000 0.0000 51900.9849 -109696.8810 298.2757 -161597.8659 -109343.5307 299.0901 -48.9352 -24.8986 761990.5205 -10.2229 -10.3576 PRESSURE: 1622800 -97.2555 105.743 159.81 105.743 31.7325 -136.652 159.808 -136.652 213.301 GPRESSURE: 1622800 -51.6977 10.8467 181.947 75.4051 77.9133 -116.591 107.738 -209.735 215.24 PRESSAVG: 1622800 -68.647 -62.7775 -32.192 -62.7776 60.0143 24.3889 -32.192 24.3889 -26.2788 GPRESSAVG: 1622800 -69.7551 -62.6861 -31.0597 -64.4528 61.01 23.5525 -30.9403 22.9904 -26.2522 TIMING: 1622800 CPU: 5112.5, 0.00311987/step Wall: 5112.5, 0.00311987/step, 2.92679 hours remaining, 238.042969 MB of memory in use. ENERGY: 1622800 3992.9542 20119.9610 14414.8856 247.5692 -203044.7513 2424.5935 0.0000 0.0000 51966.0609 -109878.7269 298.6497 -161844.7878 -109512.7094 298.6268 49.2592 80.4851 763666.5863 -11.6372 -11.6658 PRESSURE: 1623000 -128.328 -90.5608 -91.4267 -90.5612 93.3888 84.1621 -91.4264 84.1627 -82.6071 GPRESSURE: 1623000 -110.296 -93.9968 -37.916 13.1022 180.845 67.7719 -200.224 149.118 -88.4267 PRESSAVG: 1623000 15.8091 -46.4878 17.4497 -46.4878 -21.2508 -19.4507 17.4497 -19.4506 -24.8239 GPRESSAVG: 1623000 16.9111 -47.1565 17.9724 -44.9729 -22.2288 -19.8106 15.8393 -19.1268 -25.7244 TIMING: 1623000 CPU: 5113.12, 0.00311686/step Wall: 5113.12, 0.00311686/step, 2.92379 hours remaining, 238.042969 MB of memory in use. ENERGY: 1623000 3978.3304 20549.3734 14467.9543 245.9071 -203195.3979 2651.5179 0.0000 0.0000 51544.3379 -109757.9769 296.2260 -161302.3147 -109395.2409 298.7380 -39.1822 -5.9594 762050.7865 -10.0885 -10.3474 PRESSURE: 1623200 -198.374 141.088 -40.9783 141.088 -18.8028 48.6396 -40.9793 48.6401 -250.921 GPRESSURE: 1623200 -138.952 162.441 -82.694 44.466 82.9717 69.1329 -74.5641 116.431 -314.935 PRESSAVG: 1623200 64.3115 3.73553 -26.1716 3.73556 -28.1074 -8.26559 -26.1716 -8.26558 -21.4262 GPRESSAVG: 1623200 63.1527 3.43109 -25.2148 4.37171 -27.6946 -6.86308 -25.3441 -10.3288 -20.4542 TIMING: 1623200 CPU: 5113.75, 0.00312945/step Wall: 5113.75, 0.00312945/step, 2.93542 hours remaining, 238.042969 MB of memory in use. ENERGY: 1623200 4012.8789 20645.2203 14465.1926 245.8585 -203371.5950 2565.7186 0.0000 0.0000 51781.9087 -109654.8173 297.5913 -161436.7260 -109302.5142 298.6158 -156.0326 -123.6382 761332.2908 4.9260 5.0013 PRESSURE: 1623400 -358.973 -49.0345 -119.711 -49.0354 30.9805 -47.9754 -119.711 -47.9756 90.1879 GPRESSURE: 1623400 -280.524 -104.791 -72.5703 -49.9627 -40.5046 -156.741 -196.677 11.0356 174.115 PRESSAVG: 1623400 -58.6647 -69.9232 2.29865 -69.9233 25.4518 -65.1073 2.29859 -65.1073 -3.81012 GPRESSAVG: 1623400 -57.0189 -70.1329 2.09095 -69.4028 25.289 -65.3899 3.6001 -65.1558 -4.52121 TIMING: 1623400 CPU: 5114.38, 0.0031416/step Wall: 5114.38, 0.0031416/step, 2.94665 hours remaining, 238.042969 MB of memory in use. ENERGY: 1623400 3978.8780 20539.1206 14502.8923 238.8034 -203243.0150 2483.7738 0.0000 0.0000 52108.8112 -109390.7358 299.4701 -161499.5470 -109021.7240 299.6471 -79.2682 -48.9712 762820.9897 -12.3410 -12.0837 PRESSURE: 1623600 185.758 -30.7586 122.085 -30.7582 382.025 -255.958 122.084 -255.957 191.143 GPRESSURE: 1623600 276.393 -128.448 121.076 -62.3251 349.078 -237.185 105.614 -209.449 212.611 PRESSAVG: 1623600 -24.4846 11.4934 -60.8347 11.4934 24.8784 -6.52081 -60.8347 -6.52087 -3.02892 GPRESSAVG: 1623600 -24.3219 12.0123 -62.046 9.9856 23.2417 -6.47834 -61.5056 -6.50548 -1.74461 TIMING: 1623600 CPU: 5115, 0.00313587/step Wall: 5115, 0.00313587/step, 2.9411 hours remaining, 238.042969 MB of memory in use. ENERGY: 1623600 3978.9661 20471.5967 14472.8391 214.1878 -203132.1990 2536.7060 0.0000 0.0000 52117.7295 -109340.1738 299.5213 -161457.9033 -108981.2335 299.2722 252.9754 279.3604 761516.1903 -0.8784 -0.9416 PRESSURE: 1623800 -122.954 72.548 69.9838 72.5481 121.857 138.82 69.9846 138.82 231.813 GPRESSURE: 1623800 -74.6443 72.3507 67.8741 75.3176 77.8332 -22.712 -104.106 135.872 296.035 PRESSAVG: 1623800 6.46871 -37.8435 -30.9015 -37.8435 12.2932 23.0409 -30.9014 23.0409 -39.6778 GPRESSAVG: 1623800 6.19923 -36.4531 -31.1734 -37.1925 13.3351 21.4135 -29.3169 24.2673 -41.0849 TIMING: 1623800 CPU: 5115.63, 0.00313916/step Wall: 5115.63, 0.00313916/step, 2.94401 hours remaining, 238.042969 MB of memory in use. ENERGY: 1623800 3960.0817 20465.1976 14453.9782 231.2370 -203445.1156 2564.8028 0.0000 0.0000 52216.4775 -109553.3407 300.0888 -161769.8182 -109195.1481 299.7340 76.9054 99.7413 761485.9786 -6.9720 -7.1835 PRESSURE: 1624000 -3.46102 -40.5862 -165.451 -40.5857 -71.362 131.614 -165.451 131.615 276.53 GPRESSURE: 1624000 75.9103 -172.207 -210.837 -59.9927 -25.4893 60.5537 -141.671 26.2779 240.396 PRESSAVG: 1624000 -35.1996 6.09835 18.0022 6.09843 26.6402 20.5381 18.0023 20.5381 9.69727 GPRESSAVG: 1624000 -34.4324 4.75176 18.9381 6.00463 25.8774 19.813 16.0451 20.9909 9.73068 TIMING: 1624000 CPU: 5116.26, 0.00315225/step Wall: 5116.26, 0.00315225/step, 2.95611 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1624000 3957.6886 20533.5464 14531.8173 243.8181 -203694.6125 2817.4685 0.0000 0.0000 52239.1742 -109371.0995 300.2193 -161610.2737 -109011.4808 299.2960 67.2357 96.9391 761881.3952 0.3793 0.3919 PRESSURE: 1624200 71.0803 -167.824 -15.2841 -167.824 135.53 -103.2 -15.2839 -103.201 -148.168 GPRESSURE: 1624200 44.4177 -156.352 -152.235 -5.10063 171.658 -2.29568 15.0254 -176.862 -66.8095 PRESSAVG: 1624200 15.5903 -20.3872 -32.9003 -20.3872 -3.839 -45.5547 -32.9003 -45.5547 13.0658 GPRESSAVG: 1624200 14.1505 -18.7361 -33.6556 -18.2013 -3.16596 -43.7324 -32.2112 -46.8995 13.8655 TIMING: 1624200 CPU: 5116.89, 0.00314035/step Wall: 5116.89, 0.00314035/step, 2.94477 hours remaining, 238.042969 MB of memory in use. ENERGY: 1624200 3986.4764 20698.5308 14429.6274 262.9198 -203290.1763 2698.3988 0.0000 0.0000 52189.0412 -109025.1819 299.9311 -161214.2231 -108682.8361 300.0412 19.4806 49.7554 761522.1626 8.2724 8.2834 LDB: ============= START OF LOAD BALANCING ============== 5129.28 LDB: ============== END OF LOAD BALANCING =============== 5129.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5129.29 LDB: ============= START OF LOAD BALANCING ============== 5129.6 LDB: Largest compute 7034 load 0.032296 is 16.5% of average load 0.195968 LDB: Average compute 0.004375 is 2.2% of average load 0.195968 LDB: TIME 5129.6 LOAD: AVG 0.195968 MAX 0.216075 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 5129.6 LOAD: AVG 0.195968 MAX 0.216075 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: TIME 5129.6 LOAD: AVG 0.195968 MAX 0.216075 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5129.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5129.61 PRESSURE: 1624400 254.485 -80.7488 -63.4816 -80.7488 13.5538 -152.207 -63.4822 -152.206 293.952 GPRESSURE: 1624400 267.742 -164.399 -16.0414 -35.5787 69.7247 -142.964 9.57272 14.5219 292.463 PRESSAVG: 1624400 11.8369 -22.1761 2.52497 -22.1761 6.26748 -19.7757 2.52498 -19.7758 10.968 GPRESSAVG: 1624400 11.9039 -24.7431 2.55837 -23.1441 7.99256 -19.5222 0.927012 -20.0374 9.66424 TIMING: 1624400 CPU: 5117.53, 0.00319235/step Wall: 5117.53, 0.00319235/step, 2.99336 hours remaining, 238.351562 MB of memory in use. ENERGY: 1624400 4027.5303 20509.1657 14494.8517 252.0083 -203372.7212 2733.1579 0.0000 0.0000 52131.3084 -109224.6989 299.5993 -161356.0073 -108864.9755 300.3902 187.3304 209.9765 761382.2804 9.6908 9.8536 PRESSURE: 1624600 444.776 -67.076 66.5641 -67.0752 -281.909 -41.4838 66.5648 -41.4833 10.7372 GPRESSURE: 1624600 425.456 -110.294 81.6794 -35.7368 -262.083 106.813 191.769 -61.071 82.9312 PRESSAVG: 1624600 20.0022 -30.8496 13.559 -30.8497 -4.35471 30.5109 13.5591 30.511 -33.9813 GPRESSAVG: 1624600 20.476 -29.9337 12.9514 -31.9597 -6.36106 30.2205 14.9611 31.6266 -32.5963 TIMING: 1624600 CPU: 5118.15, 0.00313783/step Wall: 5118.15, 0.00313783/step, 2.94206 hours remaining, 238.554688 MB of memory in use. ENERGY: 1624600 4055.7961 20516.3297 14500.6076 260.3204 -203586.1353 2702.5659 0.0000 0.0000 52275.3663 -109275.1493 300.4272 -161550.5156 -108897.9067 300.0309 57.8680 82.1012 760176.5212 -6.1113 -6.1605 PRESSURE: 1624800 98.6644 -69.0753 -148.193 -69.0755 -10.5142 75.0308 -148.192 75.0308 66.0095 GPRESSURE: 1624800 21.2495 -47.8061 -111.583 36.14 102.437 53.47 -36.6618 87.5218 109.317 PRESSAVG: 1624800 33.0259 -23.4732 49.057 -23.4732 21.8201 9.31438 49.057 9.31443 3.56755 GPRESSAVG: 1624800 32.7584 -21.4563 50.1982 -21.6586 21.5191 9.91796 49.3677 9.2421 4.16633 TIMING: 1624800 CPU: 5118.78, 0.0031369/step Wall: 5118.78, 0.0031369/step, 2.94101 hours remaining, 238.554688 MB of memory in use. ENERGY: 1624800 4003.8105 20780.6682 14473.9593 229.1703 -203391.9504 2387.6836 0.0000 0.0000 52053.3124 -109463.3461 299.1511 -161516.6585 -109098.7611 300.3449 51.3865 77.6677 762399.0669 19.4712 19.4813 PRESSURE: 1625000 -155.422 -97.3991 179.483 -97.3987 -112.635 -58.6361 179.483 -58.637 127.29 GPRESSURE: 1625000 -62.7494 -77.6244 220.491 -32.2762 -99.6073 -49.9763 151.65 -102.011 124.422 PRESSAVG: 1625000 15.6974 -69.296 -15.2365 -69.296 -16.9226 -27.0107 -15.2365 -27.0107 -0.0138189 GPRESSAVG: 1625000 15.3866 -73.0461 -15.9461 -69.4677 -14.9114 -27.3948 -16.0725 -26.1888 -1.80236 TIMING: 1625000 CPU: 5119.41, 0.00313818/step Wall: 5119.41, 0.00313818/step, 2.94204 hours remaining, 238.554688 MB of memory in use. ENERGY: 1625000 3969.4323 20675.0799 14483.3406 253.8800 -203456.9511 2458.4328 0.0000 0.0000 52097.5499 -109519.2357 299.4053 -161616.7856 -109165.3145 299.8479 -46.9223 -12.6448 760585.8511 -0.4130 -0.4424 PRESSURE: 1625200 -13.7462 98.2664 -58.7117 98.2667 -88.8859 234.846 -58.7128 234.847 -195.095 GPRESSURE: 1625200 -3.6315 149.993 -24.8683 137.588 -10.8122 225.106 -55.9567 182.523 -196.714 PRESSAVG: 1625200 10.2149 -26.853 4.06869 -26.853 -1.61363 4.95893 4.06861 4.95891 -11.7128 GPRESSAVG: 1625200 9.24665 -24.0906 5.28809 -27.6935 -2.15662 5.49499 2.83341 1.49577 -10.5731 TIMING: 1625200 CPU: 5120.04, 0.00313425/step Wall: 5120.04, 0.00313425/step, 2.93819 hours remaining, 238.554688 MB of memory in use. ENERGY: 1625200 4022.5669 20646.5277 14398.7062 249.7699 -203768.7299 2795.6490 0.0000 0.0000 52050.1615 -109605.3486 299.1330 -161655.5101 -109243.3573 299.6998 -99.2424 -70.3860 759913.1557 -1.0372 -1.1610 PRESSURE: 1625400 82.7141 63.546 101.599 63.5463 -221.286 -100.252 101.598 -100.251 -124.597 GPRESSURE: 1625400 154.972 13.3834 67.2635 13.6765 -197.292 -133.265 138.75 10.3686 -140.951 PRESSAVG: 1625400 20.8626 -23.6504 -5.3292 -23.6504 -74.0098 27.5417 -5.32924 27.5417 21.4034 GPRESSAVG: 1625400 21.8378 -24.9352 -6.22049 -24.1258 -75.2537 26.8567 -2.28987 31.4165 21.9412 TIMING: 1625400 CPU: 5120.66, 0.00313154/step Wall: 5120.66, 0.00313154/step, 2.93547 hours remaining, 238.554688 MB of memory in use. ENERGY: 1625400 3989.3438 20552.8267 14428.2185 254.7612 -203547.2239 2431.7914 0.0000 0.0000 52178.0133 -109712.2691 299.8678 -161890.2823 -109347.4468 299.7292 -87.7231 -61.0903 759362.3135 -10.5813 -10.4916 PRESSURE: 1625600 115.253 -98.971 134.051 -98.9724 -507.105 292.65 134.051 292.651 -43.9888 GPRESSURE: 1625600 103.037 -138.175 66.026 -181.422 -451.57 282.218 48.296 111.152 4.94604 PRESSAVG: 1625600 36.2471 -29.9335 -16.2976 -29.9335 -52.5685 25.1069 -16.2976 25.1069 -16.0823 GPRESSAVG: 1625600 34.797 -29.9153 -15.3175 -28.5117 -50.8198 25.5001 -19.3992 23.2286 -16.9729 TIMING: 1625600 CPU: 5121.29, 0.00312713/step Wall: 5121.29, 0.00312713/step, 2.93117 hours remaining, 238.554688 MB of memory in use. ENERGY: 1625600 3953.7012 20566.7074 14459.4160 265.1279 -203565.4548 2623.8304 0.0000 0.0000 51935.7091 -109760.9629 298.4752 -161696.6719 -109394.3975 299.0500 -145.2800 -114.5289 761638.6267 -10.8013 -10.9986 PRESSURE: 1625800 259.632 142.394 11.014 142.394 -179.353 259.951 11.0141 259.952 84.2711 GPRESSURE: 1625800 289.315 203.859 -92.5416 51.6563 -186.879 390.783 122.071 138.387 145.387 PRESSAVG: 1625800 50.7539 3.11552 -21.6876 3.11553 -41.983 8.63597 -21.6876 8.6359 3.7747 GPRESSAVG: 1625800 51.8305 2.65988 -21.2863 0.985816 -43.3646 7.19171 -20.9469 7.67755 3.93744 TIMING: 1625800 CPU: 5121.91, 0.00311287/step Wall: 5121.91, 0.00311287/step, 2.91762 hours remaining, 238.554688 MB of memory in use. ENERGY: 1625800 3982.8537 20713.4976 14465.3189 257.9048 -203664.4282 2601.5540 0.0000 0.0000 52014.2932 -109629.0060 298.9269 -161643.2992 -109260.3070 298.8183 54.8500 82.6077 759881.3666 4.1819 4.1345 PRESSURE: 1626000 -78.7043 174.954 -152.281 174.954 -292.898 -56.6331 -152.283 -56.6329 -137.082 GPRESSURE: 1626000 -83.9203 112.255 -135.331 95.2564 -222.425 -10.7023 -155.124 -89.9894 -111.825 PRESSAVG: 1626000 33.115 5.22898 -62.8912 5.22905 -31.9691 5.40041 -62.8912 5.40035 11.3423 GPRESSAVG: 1626000 33.4826 4.41117 -63.9044 6.96384 -32.7988 6.90372 -62.5152 6.19216 11.8311 TIMING: 1626000 CPU: 5122.54, 0.00313166/step Wall: 5122.54, 0.00313166/step, 2.93506 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1626000 3988.6998 20603.2195 14516.2923 245.9151 -203428.5993 2359.8194 0.0000 0.0000 52023.1079 -109691.5453 298.9775 -161714.6532 -109323.3195 299.3055 -169.5614 -139.3899 759355.0231 4.1627 4.1716 PRESSURE: 1626200 -160.688 77.0952 146.668 77.0949 -145.782 -19.6035 146.668 -19.6038 -51.7946 GPRESSURE: 1626200 -148.267 -38.7465 162.306 -15.7831 35.3657 -43.8555 113.657 -74.1068 -151.444 PRESSAVG: 1626200 -0.059941 9.4868 3.63252 9.48678 -27.877 -29.5371 3.63241 -29.5371 6.27029 GPRESSAVG: 1626200 -0.135007 12.3658 2.356 7.94898 -26.488 -29.6299 3.20147 -29.6199 5.00665 TIMING: 1626200 CPU: 5123.17, 0.00314326/step Wall: 5123.17, 0.00314326/step, 2.94576 hours remaining, 238.554688 MB of memory in use. ENERGY: 1626200 3999.6764 20389.8637 14442.1853 243.3338 -203624.3189 2630.0633 0.0000 0.0000 52227.1100 -109692.0864 300.1499 -161919.1964 -109321.1652 298.6258 -119.4215 -88.1149 760459.6294 -7.2222 -7.2055 PRESSURE: 1626400 186.521 -74.6946 10.8081 -74.6948 90.539 -308.281 10.8086 -308.28 -46.0452 GPRESSURE: 1626400 228.418 -59.2742 13.0325 -52.2238 83.1556 -271.236 -0.166096 -125.59 10.2393 PRESSAVG: 1626400 -23.9972 -43.6232 -27.8969 -43.6232 -1.99003 -20.3301 -27.8969 -20.3301 17.3117 GPRESSAVG: 1626400 -24.0758 -46.3752 -28.4322 -43.8935 -1.74617 -20.5342 -27.1514 -21.6179 17.0989 TIMING: 1626400 CPU: 5123.79, 0.00312046/step Wall: 5123.79, 0.00312046/step, 2.92422 hours remaining, 238.554688 MB of memory in use. ENERGY: 1626400 3998.7990 20522.5206 14438.2975 237.6926 -203790.7567 2863.6595 0.0000 0.0000 52130.2235 -109599.5640 299.5931 -161729.7875 -109239.7922 298.9450 77.0048 107.2711 760827.1828 -2.8919 -2.9077 PRESSURE: 1626600 -197.848 -298.169 -36.9144 -298.17 247.478 22.6895 -36.9147 22.6896 -169.626 GPRESSURE: 1626600 -205.231 -294.238 -29.8938 -211.646 210.714 -31.0366 -110.74 134.569 -42.4431 PRESSAVG: 1626600 4.18608 -37.3129 -21.1274 -37.3129 -0.0924502 -21.7062 -21.1274 -21.706 -11.8874 GPRESSAVG: 1626600 3.03478 -37.8023 -19.3 -35.5269 -0.167917 -23.3684 -20.0409 -18.0538 -10.1732 TIMING: 1626600 CPU: 5124.42, 0.00313402/step Wall: 5124.42, 0.00313402/step, 2.93675 hours remaining, 238.554688 MB of memory in use. ENERGY: 1626600 3961.5038 20599.8194 14447.6738 233.0662 -203785.5446 2687.6000 0.0000 0.0000 52198.6429 -109657.2385 299.9863 -161855.8814 -109284.6649 299.5267 -39.9988 -12.3200 760436.9862 -2.5979 -2.4354 PRESSURE: 1626800 66.3996 28.8898 98.122 28.8898 -72.5966 -7.05297 98.1221 -7.05367 53.134 GPRESSURE: 1626800 95.0307 97.0175 156.147 35.1563 21.5782 39.9519 82.9997 53.7153 -2.11425 PRESSAVG: 1626800 1.80557 -21.8415 -16.3609 -21.8415 43.5226 15.1945 -16.3609 15.1945 -14.7204 GPRESSAVG: 1626800 3.65013 -20.8097 -15.3577 -23.1337 43.7197 18.1611 -17.4572 12.3831 -16.9287 TIMING: 1626800 CPU: 5125.04, 0.00312703/step Wall: 5125.04, 0.00312703/step, 2.93003 hours remaining, 238.554688 MB of memory in use. ENERGY: 1626800 3943.7242 20671.8229 14504.3711 243.1120 -203485.0300 2418.3523 0.0000 0.0000 51967.0119 -109736.6357 298.6551 -161703.6476 -109380.7265 299.2905 15.6457 38.1649 759611.0924 10.2026 10.1470 PRESSURE: 1627000 302.031 -7.05495 199.68 -7.05523 189.751 -98.1318 199.679 -98.1331 -229.047 GPRESSURE: 1627000 312.022 -50.6739 152.544 -46.8278 236.223 -142.471 149.651 -76.6836 -213.078 PRESSAVG: 1627000 7.87312 -17.2376 43.9346 -17.2376 -7.36384 20.6126 43.9346 20.6127 0.747698 GPRESSAVG: 1627000 7.2782 -17.0438 42.7854 -16.4083 -8.79206 18.972 44.9597 20.9343 1.99335 TIMING: 1627000 CPU: 5125.67, 0.00313843/step Wall: 5125.67, 0.00313844/step, 2.94054 hours remaining, 238.554688 MB of memory in use. ENERGY: 1627000 3984.2690 20706.8873 14457.3669 242.0048 -203819.1073 2726.0440 0.0000 0.0000 52087.1231 -109615.4121 299.3454 -161702.5352 -109240.1224 299.1604 87.5784 111.7221 760585.7066 0.4190 0.1598 PRESSURE: 1627200 -147.103 -82.0573 67.048 -82.0568 -141.285 -29.9605 67.0482 -29.9612 -177.908 GPRESSURE: 1627200 -60.0916 -1.82395 11.5832 -68.8669 -177.35 36.6424 82.6593 -53.997 -134.545 PRESSAVG: 1627200 -37.6286 -35.0329 31.2593 -35.0329 54.0078 -10.3851 31.2592 -10.3851 7.66168 GPRESSAVG: 1627200 -37.8777 -36.2667 30.9233 -36.7879 55.9665 -9.36093 30.6547 -12.0154 6.12206 TIMING: 1627200 CPU: 5126.3, 0.00314211/step Wall: 5126.3, 0.00314211/step, 2.94381 hours remaining, 238.554688 MB of memory in use. ENERGY: 1627200 4012.8584 20538.9193 14463.3623 246.6812 -203884.7841 2942.1072 0.0000 0.0000 51816.6700 -109864.1857 297.7911 -161680.8557 -109499.7391 298.8217 -155.4318 -123.9954 761709.2622 8.0136 8.0703 PRESSURE: 1627400 203.547 120.939 109.969 120.939 -189.4 56.3424 109.969 56.3435 99.3498 GPRESSURE: 1627400 318.366 162.571 54.3703 34.585 -183.639 46.2094 168.579 132.958 81.8761 PRESSAVG: 1627400 -19.2173 12.4739 67.4659 12.4739 12.95 -32.1415 67.466 -32.1415 -20.7818 GPRESSAVG: 1627400 -19.1274 14.6753 67.9283 14.3162 11.6281 -33.305 67.4894 -29.4606 -19.6827 TIMING: 1627400 CPU: 5126.92, 0.00313094/step Wall: 5126.92, 0.00313094/step, 2.93317 hours remaining, 238.554688 MB of memory in use. ENERGY: 1627400 4028.5812 20469.4462 14409.6642 245.6652 -203557.8732 2602.7555 0.0000 0.0000 51983.0476 -109818.7132 298.7473 -161801.7608 -109463.0637 298.9745 37.8324 72.2010 760251.7654 -9.0164 -9.0607 PRESSURE: 1627600 75.1654 205.394 177.963 205.394 -342.299 23.1868 177.963 23.1861 197.22 GPRESSURE: 1627600 72.0417 108.963 130.754 90.3432 -223.824 2.38149 155.319 14.5474 174.491 PRESSAVG: 1627600 -8.28013 1.07484 -7.81557 1.07476 -9.23722 -23.125 -7.8155 -23.125 2.64752 GPRESSAVG: 1627600 -8.87006 0.985566 -7.01298 -0.0674839 -8.386 -22.7709 -6.65513 -25.2189 2.63614 TIMING: 1627600 CPU: 5127.55, 0.003151/step Wall: 5127.55, 0.003151/step, 2.95179 hours remaining, 238.554688 MB of memory in use. ENERGY: 1627600 4023.8788 20597.5467 14482.0728 262.8779 -203396.0477 2454.2332 0.0000 0.0000 51931.4513 -109643.9870 298.4508 -161575.4383 -109289.5241 299.4534 -23.3044 7.5696 760842.8330 -4.9566 -4.8733 PRESSURE: 1627800 173.22 118.105 106.549 118.104 47.5729 -107.709 106.549 -107.709 -93.1213 GPRESSURE: 1627800 194.176 119.098 90.6408 125.926 99.1335 -75.0151 38.2132 -50.0457 -103.163 PRESSAVG: 1627800 -6.50203 22.7704 33.952 22.7703 10.5242 8.69807 33.952 8.69818 6.12159 GPRESSAVG: 1627800 -7.75322 20.7067 33.855 23.8121 10.8091 8.59481 32.4349 9.71915 7.1051 TIMING: 1627800 CPU: 5128.18, 0.00314362/step Wall: 5128.18, 0.00314362/step, 2.9447 hours remaining, 238.554688 MB of memory in use. ENERGY: 1627800 3924.4164 20599.3628 14415.8637 262.3707 -203086.0925 2383.8473 0.0000 0.0000 52031.7878 -109468.4437 299.0274 -161500.2315 -109095.9800 298.9853 42.5573 63.3820 760370.5966 3.3813 3.3870 PRESSURE: 1628000 80.818 193.279 -165.873 193.279 117.025 -73.5615 -165.873 -73.5618 -314.113 GPRESSURE: 1628000 141.827 137.208 -181.581 192.262 124.304 -110.417 -171.249 -173.908 -274.235 PRESSAVG: 1628000 -31.3238 12.8735 -8.41594 12.8734 7.96465 6.4868 -8.416 6.4869 -4.17751 GPRESSAVG: 1628000 -30.5105 12.8429 -9.21355 13.1924 8.55168 5.46642 -9.16224 6.43454 -5.57808 TIMING: 1628000 CPU: 5128.81, 0.00313622/step Wall: 5128.81, 0.00313622/step, 2.93759 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1628000 3949.6312 20546.6742 14385.9001 256.3819 -203695.9866 2779.9476 0.0000 0.0000 52258.6221 -109518.8295 300.3310 -161777.4517 -109146.7994 299.3024 -38.7568 -2.7014 762156.4721 -9.1789 -9.1790 PRESSURE: 1628200 -514.213 -11.0862 -32.59 -11.0851 15.5901 -306.685 -32.5898 -306.685 294.361 GPRESSURE: 1628200 -461.112 -46.5919 -6.02306 -112.575 27.217 -255.959 -126.859 -258.834 332.065 PRESSAVG: 1628200 -53.5609 20.9776 -3.26609 20.9776 69.2997 -11.0579 -3.26607 -11.0579 6.73929 GPRESSAVG: 1628200 -53.8756 20.6753 -2.8714 21.1715 69.4681 -9.16132 -2.06486 -10.0778 6.7648 TIMING: 1628200 CPU: 5129.44, 0.0031366/step Wall: 5129.44, 0.0031366/step, 2.93777 hours remaining, 238.554688 MB of memory in use. ENERGY: 1628200 3989.7075 20604.7314 14372.1055 238.5846 -203352.4094 2448.6095 0.0000 0.0000 52099.9158 -109598.7552 299.4189 -161698.6709 -109236.6476 299.1428 -68.0874 -33.9431 760733.7502 7.4927 7.4524 LDB: ============= START OF LOAD BALANCING ============== 5141.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5141.84 LDB: =============== DONE WITH MIGRATION ================ 5141.84 LDB: ============= START OF LOAD BALANCING ============== 5142.15 LDB: Largest compute 7034 load 0.032476 is 16.6% of average load 0.196127 LDB: Average compute 0.004374 is 2.2% of average load 0.196127 LDB: TIME 5142.16 LOAD: AVG 0.196127 MAX 0.216884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 5142.16 LOAD: AVG 0.196127 MAX 0.216884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 5142.16 LOAD: AVG 0.196127 MAX 0.216884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5142.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5142.17 PRESSURE: 1628400 -0.302561 -123.367 -92.8529 -123.367 -196.592 137.412 -92.8528 137.412 352.789 GPRESSURE: 1628400 19.3546 -124.08 -87.4903 9.25644 -124.231 193.736 23.8023 90.8579 337.923 PRESSAVG: 1628400 -35.5539 -26.5151 -5.38447 -26.5151 50.2939 10.2738 -5.38444 10.2738 -7.70032 GPRESSAVG: 1628400 -35.3236 -25.1947 -4.87959 -25.6862 49.3717 10.9293 -3.75394 10.0649 -6.54826 TIMING: 1628400 CPU: 5130.08, 0.00322568/step Wall: 5130.08, 0.00322568/step, 3.02102 hours remaining, 238.410156 MB of memory in use. ENERGY: 1628400 4065.8601 20471.8684 14388.6269 254.9665 -203799.3659 2851.1917 0.0000 0.0000 52119.6811 -109647.1711 299.5325 -161766.8522 -109277.1237 299.0524 51.9647 77.6822 760509.3628 2.3465 2.4999 PRESSURE: 1628600 -212.211 -113.551 115.248 -113.55 -71.2488 -131.886 115.249 -131.887 -379.942 GPRESSURE: 1628600 -227.886 -98.8157 78.8245 -120.12 -42.1224 -69.3162 177.733 -127.744 -305.03 PRESSAVG: 1628600 -29.0069 26.0039 -37.3624 26.0039 7.73735 19.7721 -37.3623 19.772 19.749 GPRESSAVG: 1628600 -28.2741 25.6937 -37.4384 24.8295 8.93334 19.1054 -37.3262 21.6005 18.435 TIMING: 1628600 CPU: 5130.71, 0.00314644/step Wall: 5130.71, 0.00314644/step, 2.94665 hours remaining, 238.613281 MB of memory in use. ENERGY: 1628600 3988.9461 20535.2704 14473.5941 235.3998 -203484.2288 2832.1729 0.0000 0.0000 51975.4968 -109443.3487 298.7039 -161418.8455 -109080.7618 299.0184 -221.1339 -191.6793 761477.7453 -0.5069 -0.3019 PRESSURE: 1628800 100.376 40.4461 -142.647 40.4466 -8.58675 -134.631 -142.647 -134.631 185.573 GPRESSURE: 1628800 126.225 131.952 -147.792 63.3684 51.6588 -138.805 -189.529 -61.7687 208.983 PRESSAVG: 1628800 -61.0596 -7.08476 -10.8415 -7.08475 75.7068 -19.6701 -10.8416 -19.6701 19.8072 GPRESSAVG: 1628800 -62.2779 -5.30384 -10.5356 -8.01675 75.8256 -21.7685 -11.6046 -20.1672 20.8994 TIMING: 1628800 CPU: 5131.34, 0.00314416/step Wall: 5131.34, 0.00314416/step, 2.94433 hours remaining, 238.613281 MB of memory in use. ENERGY: 1628800 3942.6650 20424.7057 14451.8637 248.0954 -203407.9203 2473.2937 0.0000 0.0000 52354.2106 -109513.0862 300.8804 -161867.2968 -109146.6719 299.5169 92.4542 128.9557 760759.5908 11.4848 11.4824 PRESSURE: 1629000 448.836 -45.1452 -99.2291 -45.1457 604.81 127.487 -99.2289 127.486 211.561 GPRESSURE: 1629000 395.579 1.62926 -42.0882 -77.7108 673.27 126.584 -17.2941 96.7686 267.649 PRESSAVG: 1629000 -13.557 -9.27375 -11.5815 -9.2738 13.7169 42.9196 -11.5816 42.9197 1.98936 GPRESSAVG: 1629000 -13.3205 -11.9895 -12.5406 -7.99941 13.8569 44.197 -12.3075 40.8306 1.4089 TIMING: 1629000 CPU: 5131.97, 0.0031477/step Wall: 5131.97, 0.0031477/step, 2.94747 hours remaining, 238.613281 MB of memory in use. ENERGY: 1629000 3994.1687 20574.2827 14511.7045 245.5754 -203534.7974 2825.3015 0.0000 0.0000 52099.5296 -109284.2351 299.4167 -161383.7646 -108928.3625 299.5997 421.7355 445.4996 760638.0805 0.7164 0.6484 PRESSURE: 1629200 -91.985 -66.5636 -103.035 -66.5637 -48.0529 67.8618 -103.034 67.8609 -185.763 GPRESSURE: 1629200 16.3096 -80.3729 -114.346 -68.7281 -90.9522 32.3494 11.7553 83.683 -180.706 PRESSAVG: 1629200 -0.532151 1.40205 23.9244 1.40204 7.36063 11.2845 23.9244 11.2845 14.0093 GPRESSAVG: 1629200 -1.41531 3.53633 25.7511 -0.778408 6.29275 12.3917 24.4378 10.4633 15.5203 TIMING: 1629200 CPU: 5132.6, 0.00314113/step Wall: 5132.6, 0.00314113/step, 2.94115 hours remaining, 238.613281 MB of memory in use. ENERGY: 1629200 4004.1151 20722.6670 14372.0118 245.4167 -203360.2045 2588.2845 0.0000 0.0000 51957.9527 -109469.7566 298.6031 -161427.7094 -109113.6675 299.3714 -108.6003 -85.1163 762172.0340 6.9459 6.7992 PRESSURE: 1629400 -51.4634 71.6498 -5.65489 71.6498 92.9676 37.144 -5.65436 37.1444 153.68 GPRESSURE: 1629400 45.2806 -10.0546 -17.041 6.63042 174.634 -42.8199 88.2208 97.1604 54.736 PRESSAVG: 1629400 50.73 15.6793 10.7555 15.6793 2.15274 -57.6566 10.7555 -57.6565 32.1673 GPRESSAVG: 1629400 52.9086 15.1428 10.0103 16.2708 2.08059 -58.6567 12.0321 -57.6283 29.8053 TIMING: 1629400 CPU: 5133.23, 0.00313261/step Wall: 5133.23, 0.00313261/step, 2.93299 hours remaining, 238.613281 MB of memory in use. ENERGY: 1629400 3941.9600 20455.8407 14414.4209 238.2436 -203413.7862 2796.2533 0.0000 0.0000 52072.7822 -109494.2855 299.2630 -161567.0677 -109129.3364 299.7858 65.0612 91.5501 760877.2121 28.3500 28.2648 PRESSURE: 1629600 -101.155 76.4333 81.3367 76.4346 -225.159 -137.384 81.3368 -137.383 -95.5218 GPRESSURE: 1629600 -115.222 41.4666 -73.9746 15.8634 -179.848 -39.5052 -88.5933 -119.579 -53.4304 PRESSAVG: 1629600 -24.7235 -6.28525 -6.33668 -6.28523 13.3656 -15.6031 -6.33676 -15.6031 8.19009 GPRESSAVG: 1629600 -25.1471 -6.60361 -7.37764 -5.03532 13.3592 -14.6344 -8.46126 -13.7666 9.16524 TIMING: 1629600 CPU: 5133.86, 0.00314874/step Wall: 5133.86, 0.00314874/step, 2.94792 hours remaining, 238.613281 MB of memory in use. ENERGY: 1629600 3991.6660 20650.0830 14358.0650 249.4321 -203373.3469 2649.6374 0.0000 0.0000 52175.6035 -109298.8600 299.8539 -161474.4635 -108937.5561 299.5669 -140.6118 -116.1669 761657.9189 -1.0560 -0.8742 PRESSURE: 1629800 63.3318 -66.66 -182.731 -66.66 602.741 -173.87 -182.731 -173.869 21.3343 GPRESSURE: 1629800 201.104 -8.01487 -257.206 -187.061 577.008 -188.326 -154.207 -230.621 -46.5063 PRESSAVG: 1629800 13.0336 13.837 -68.1541 13.837 27.286 7.34025 -68.1542 7.34032 -10.5407 GPRESSAVG: 1629800 12.7463 14.4338 -67.8697 12.3569 28.0508 6.87455 -67.8863 5.88394 -11.3367 TIMING: 1629800 CPU: 5134.48, 0.00313264/step Wall: 5134.48, 0.00313264/step, 2.93267 hours remaining, 238.613281 MB of memory in use. ENERGY: 1629800 4009.4085 20472.4483 14518.7768 246.7801 -203473.8373 2832.9825 0.0000 0.0000 52060.5780 -109332.8631 299.1929 -161393.4410 -108969.0302 299.9222 229.1358 243.8686 759320.1834 9.9263 9.8201 PRESSURE: 1630000 -206.541 117.656 107.815 117.655 82.8344 5.98222 107.815 5.98084 -94.5491 GPRESSURE: 1630000 -75.9731 115.856 46.3647 91.3605 81.3455 -37.2166 76.6739 -17.2492 -126.303 PRESSAVG: 1630000 -36.339 45.7305 -65.4175 45.7305 22.8136 -13.413 -65.4176 -13.4129 -5.07277 GPRESSAVG: 1630000 -35.8213 45.1742 -64.0889 50.1382 22.6809 -14.0981 -65.8828 -11.6018 -5.0245 TIMING: 1630000 CPU: 5135.11, 0.00314096/step Wall: 5135.11, 0.00314097/step, 2.94029 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1630000 4003.7609 20315.4973 14521.4430 252.4291 -203599.4542 2777.4938 0.0000 0.0000 52346.1876 -109382.6425 300.8343 -161728.8301 -109011.4273 299.2947 -72.7519 -40.3101 760544.1167 -6.1994 -6.0549 PRESSURE: 1630200 93.2894 -262.462 -98.1906 -262.463 59.116 -48.7909 -98.191 -48.7896 135.965 GPRESSURE: 1630200 147.042 -209.253 -1.0054 -276.103 27.8817 -76.702 -33.3762 -64.9998 192.539 PRESSAVG: 1630200 -68.1615 28.6838 7.90421 28.6838 30.3323 3.74243 7.90419 3.7424 -23.0091 GPRESSAVG: 1630200 -69.1848 30.1277 6.67513 25.9559 30.2518 4.80037 8.87676 2.07996 -21.8515 TIMING: 1630200 CPU: 5135.74, 0.00314978/step Wall: 5135.74, 0.00314978/step, 2.94837 hours remaining, 238.613281 MB of memory in use. ENERGY: 1630200 3951.0782 20561.2567 14439.2375 268.1023 -203017.4327 2500.7426 0.0000 0.0000 52078.9477 -109218.0676 299.2984 -161297.0153 -108851.8640 299.6306 96.1234 122.4877 762517.1995 -20.2794 -20.2615 PRESSURE: 1630400 122.876 -20.5802 71.1073 -20.5801 74.583 70.2901 71.1067 70.2907 110.502 GPRESSURE: 1630400 147.952 59.6784 23.0308 31.1433 173.857 9.55995 157.784 160.934 65.4459 PRESSAVG: 1630400 -34.4774 51.7565 -23.6328 51.7565 -32.2213 21.9753 -23.6329 21.9754 -19.5361 GPRESSAVG: 1630400 -33.2374 51.1353 -21.2901 51.6071 -33.1654 20.8894 -23.9226 23.0385 -19.9398 TIMING: 1630400 CPU: 5136.37, 0.00313352/step Wall: 5136.37, 0.00313352/step, 2.93298 hours remaining, 238.613281 MB of memory in use. ENERGY: 1630400 3904.4133 20372.7154 14430.8553 242.5014 -203369.5392 2801.4834 0.0000 0.0000 52154.0536 -109463.5168 299.7301 -161617.5704 -109104.9804 299.7816 102.6536 129.0850 762101.0450 -28.7449 -28.7809 PRESSURE: 1630600 114.039 8.03923 304.197 8.03945 8.36001 -97.0352 304.197 -97.0356 625.603 GPRESSURE: 1630600 91.6842 -60.0459 239.625 53.0502 111.802 -123.548 246.33 -99.9888 614.208 PRESSAVG: 1630600 52.4066 8.46646 -28.9219 8.46641 -19.0309 53.723 -28.9219 53.7231 20.3075 GPRESSAVG: 1630600 52.2529 8.55508 -29.5684 7.29654 -17.9225 55.5419 -29.3864 52.9608 19.5345 TIMING: 1630600 CPU: 5137, 0.00315351/step Wall: 5137, 0.00315351/step, 2.95151 hours remaining, 238.613281 MB of memory in use. ENERGY: 1630600 3993.9083 20653.6059 14429.7253 247.4409 -203532.3461 2882.4672 0.0000 0.0000 51906.1754 -109419.0232 298.3055 -161325.1986 -109057.2476 299.4313 249.3343 272.5646 760066.4358 17.8944 17.9550 PRESSURE: 1630800 177.079 -53.8351 60.8753 -53.8351 -47.4546 -21.3149 60.8761 -21.3149 -283.491 GPRESSURE: 1630800 269.649 -16.0997 117.485 -74.1759 -51.1419 -18.8369 88.2625 -45.068 -279.126 PRESSAVG: 1630800 92.7588 4.42324 37.2025 4.42329 -32.0206 33.9037 37.2026 33.9036 4.93351 GPRESSAVG: 1630800 93.7707 4.1697 37.4487 5.83711 -33.4722 31.6742 35.1516 34.205 5.13289 TIMING: 1630800 CPU: 5137.63, 0.00315148/step Wall: 5137.63, 0.00315148/step, 2.94944 hours remaining, 238.613281 MB of memory in use. ENERGY: 1630800 3993.1546 20452.1393 14409.8615 230.9113 -203821.9976 2865.3811 0.0000 0.0000 52361.3859 -109509.1640 300.9216 -161870.5499 -109135.8298 299.8298 -51.2888 -20.2063 759846.9390 21.8906 21.8105 PRESSURE: 1631000 29.5308 61.5122 -110.62 61.5133 -118.919 49.5822 -110.62 49.5828 412.505 GPRESSURE: 1631000 80.45 -52.2465 -114.324 189.631 -34.2942 53.0661 -22.3321 104.72 373.275 PRESSAVG: 1631000 84.9056 29.6154 -43.8819 29.6154 -111.947 20.9639 -43.8819 20.9639 12.911 GPRESSAVG: 1631000 84.4224 29.7177 -42.9082 29.986 -111.575 20.9619 -41.4567 19.8567 13.7138 TIMING: 1631000 CPU: 5138.26, 0.00315782/step Wall: 5138.26, 0.00315782/step, 2.95519 hours remaining, 238.613281 MB of memory in use. ENERGY: 1631000 4033.7695 20296.4956 14501.1891 242.5539 -203620.5879 2870.0795 0.0000 0.0000 52236.6800 -109439.8204 300.2049 -161676.5004 -109073.0902 299.8986 107.7056 139.8104 760901.6314 -4.7100 -4.4795 PRESSURE: 1631200 -147.747 42.9901 -112.251 42.9902 -92.0763 -48.2514 -112.252 -48.2515 -340.029 GPRESSURE: 1631200 -140.129 68.3029 -89.8914 11.1434 -53.6201 -96.6513 -15.1104 75.5181 -295.46 PRESSAVG: 1631200 52.078 26.1766 -12.1416 26.1766 -47.2758 12.7898 -12.1416 12.7898 -2.78828 GPRESSAVG: 1631200 53.0127 25.9892 -13.1588 27.1486 -47.8801 13.2269 -10.1948 12.8103 -2.44501 TIMING: 1631200 CPU: 5138.89, 0.00314934/step Wall: 5138.89, 0.00314934/step, 2.94708 hours remaining, 238.613281 MB of memory in use. ENERGY: 1631200 4064.7770 20543.2884 14391.8601 274.4708 -203136.3857 2524.6766 0.0000 0.0000 52259.5798 -109077.7330 300.3365 -161337.3128 -108708.1632 299.8385 -193.2838 -163.0698 760707.2547 0.6713 0.8959 PRESSURE: 1631400 -171.538 -84.1897 -170.015 -84.1901 -266.181 12.3977 -170.015 12.398 75.9775 GPRESSURE: 1631400 -173.543 39.5713 -181.482 -18.5996 -154.893 6.15885 -121.942 44.1352 56.7125 PRESSAVG: 1631400 24.7785 22.0378 -26.4636 22.0378 -14.1767 7.86948 -26.4636 7.86949 -14.6168 GPRESSAVG: 1631400 24.7259 22.9331 -27.928 21.5477 -13.2052 8.18196 -28.0099 9.03664 -15.7691 TIMING: 1631400 CPU: 5139.52, 0.00317032/step Wall: 5139.52, 0.00317032/step, 2.96653 hours remaining, 238.613281 MB of memory in use. ENERGY: 1631400 4077.3108 20463.1667 14418.9488 256.4614 -202921.6467 2400.9301 0.0000 0.0000 52234.7657 -109070.0633 300.1939 -161304.8290 -108703.2134 299.8787 -120.5803 -90.5745 762078.0112 -1.3383 -1.4161 PRESSURE: 1631600 110.161 -66.9683 207.31 -66.9691 112.461 -41.8608 207.31 -41.8611 354.786 GPRESSURE: 1631600 168.604 -76.9254 136.208 -52.2798 172.601 -57.4285 285.469 -77.7326 311.448 PRESSAVG: 1631600 -25.7853 10.6425 -17.5098 10.6425 25.6179 -8.89361 -17.5098 -8.89366 13.5418 GPRESSAVG: 1631600 -27.5996 11.0117 -18.1298 11.0001 26.2767 -8.36873 -17.4774 -10.9574 14.4985 TIMING: 1631600 CPU: 5140.15, 0.00315559/step Wall: 5140.15, 0.00315559/step, 2.95258 hours remaining, 238.613281 MB of memory in use. ENERGY: 1631600 3952.1570 20734.4581 14455.7326 250.0201 -203421.2807 2705.4744 0.0000 0.0000 52268.3121 -109055.1264 300.3867 -161323.4385 -108689.4908 300.5089 192.4691 217.5510 762130.2352 4.4581 4.3918 PRESSURE: 1631800 -111.437 2.27358 169.392 2.2737 83.5994 263.466 169.391 263.466 -99.0851 GPRESSURE: 1631800 -78.8723 -12.3196 219.027 -100.196 178.223 215.679 115.422 166.47 -134.321 PRESSAVG: 1631800 -20.5405 6.88321 13.163 6.88315 19.3048 -0.253863 13.1631 -0.253909 11.4222 GPRESSAVG: 1631800 -19.2448 5.54517 13.7294 4.05235 18.5918 0.127319 11.1585 0.745103 10.8396 TIMING: 1631800 CPU: 5140.78, 0.00315321/step Wall: 5140.78, 0.00315321/step, 2.95018 hours remaining, 238.613281 MB of memory in use. ENERGY: 1631800 4056.4623 20554.7424 14450.6337 244.4981 -203267.8537 2896.3787 0.0000 0.0000 52229.4664 -108835.6722 300.1635 -161065.1385 -108469.8535 300.2184 -42.3075 -11.6565 762324.4250 3.3955 3.3955 PRESSURE: 1632000 17.9574 -88.3149 26.8433 -88.3143 -185.848 -26.1617 26.8434 -26.161 207.529 GPRESSURE: 1632000 21.1702 -45.2638 60.8711 10.0732 -162.457 -18.4917 -42.3593 51.7907 268.318 PRESSAVG: 1632000 11.4659 -32.9945 -12.0255 -32.9945 -24.1481 12.0673 -12.0256 12.0673 -3.78715 GPRESSAVG: 1632000 10.6171 -33.4171 -12.936 -30.9497 -23.5825 10.5398 -10.0015 13.4608 -4.1003 TIMING: 1632000 CPU: 5141.42, 0.00316256/step Wall: 5141.42, 0.00316256/step, 2.95875 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1632000 3961.7208 20556.0273 14488.5604 249.7764 -202930.9328 2533.8635 0.0000 0.0000 52194.6030 -108946.3813 299.9631 -161140.9844 -108575.5585 300.4730 13.2130 42.3435 762877.2370 -5.4898 -5.6886 PRESSURE: 1632200 -278.514 -0.386386 -32.2062 -0.386195 -4.8188 -313.114 -32.2059 -313.114 -126.788 GPRESSURE: 1632200 -217.709 27.829 -36.6105 18.606 -8.771 -258.46 -29.2667 -315.17 -94.3 PRESSAVG: 1632200 14.5007 42.8198 -39.7005 42.8197 -33.2586 28.1698 -39.7005 28.1698 6.49065 GPRESSAVG: 1632200 13.759 42.5045 -40.0512 42.7856 -32.8857 29.9005 -40.2703 25.7539 7.00179 TIMING: 1632200 CPU: 5142.05, 0.00316385/step Wall: 5142.05, 0.00316385/step, 2.95978 hours remaining, 238.613281 MB of memory in use. ENERGY: 1632200 4002.7190 20506.8916 14440.9091 235.8199 -202705.9358 2361.3496 0.0000 0.0000 52042.7685 -109115.4782 299.0905 -161158.2466 -108745.7396 299.7338 -136.7068 -106.9267 764111.3734 -4.0891 -4.0416 LDB: ============= START OF LOAD BALANCING ============== 5154.45 LDB: ============== END OF LOAD BALANCING =============== 5154.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5154.45 LDB: ============= START OF LOAD BALANCING ============== 5154.77 LDB: Largest compute 7062 load 0.032871 is 16.8% of average load 0.195986 LDB: Average compute 0.004382 is 2.2% of average load 0.195986 LDB: TIME 5154.77 LOAD: AVG 0.195986 MAX 0.218836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 5154.77 LOAD: AVG 0.195986 MAX 0.218836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 5154.77 LOAD: AVG 0.195986 MAX 0.218836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5154.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5154.78 PRESSURE: 1632400 154.454 44.7832 -96.0286 44.7837 385.133 -117.408 -96.0288 -117.408 -306.278 GPRESSURE: 1632400 181.747 1.16796 -67.2965 152.693 394.703 -179.076 -67.9189 -134.097 -260.685 PRESSAVG: 1632400 -23.1896 66.984 -19.6309 66.9839 -10.2207 -16.5737 -19.6309 -16.5738 9.48816 GPRESSAVG: 1632400 -22.7947 67.2616 -18.449 66.4686 -10.705 -17.5511 -17.9553 -14.8881 9.11345 TIMING: 1632400 CPU: 5142.69, 0.00321612/step Wall: 5142.69, 0.00321612/step, 3.0085 hours remaining, 238.609375 MB of memory in use. ENERGY: 1632400 3996.4010 20641.7901 14454.3887 238.6737 -203175.9694 2696.8900 0.0000 0.0000 52199.0105 -108948.8154 299.9884 -161147.8259 -108602.2549 300.3129 77.7697 105.2550 761358.3450 -7.9741 -8.1287 PRESSURE: 1632600 294.396 177.31 179.609 177.31 -193.799 124.098 179.61 124.098 334.953 GPRESSURE: 1632600 353.539 164.015 181.824 94.8911 -77.7245 141.324 169.78 233.647 267.581 PRESSAVG: 1632600 -16.182 -5.62743 -27.4865 -5.62741 4.56422 26.3453 -27.4866 26.3452 17.1526 GPRESSAVG: 1632600 -16.2294 -5.09418 -25.8703 -6.39718 4.27377 24.7477 -29.4739 27.9398 17.3846 TIMING: 1632600 CPU: 5143.33, 0.00316292/step Wall: 5143.33, 0.00316292/step, 2.95856 hours remaining, 238.812500 MB of memory in use. ENERGY: 1632600 3989.6630 20560.1242 14446.0302 252.6819 -203191.1037 2382.3429 0.0000 0.0000 52282.4646 -109277.7969 300.4680 -161560.2615 -108909.4072 299.7783 145.1833 181.1320 760950.1402 1.8450 1.8096 PRESSURE: 1632800 209.186 -26.4797 133.467 -26.4801 15.3185 69.6403 133.468 69.6409 -114.484 GPRESSURE: 1632800 234.602 -112.835 -7.83873 -33.4759 61.7764 -24.3223 177.42 63.988 -104.624 PRESSAVG: 1632800 94.4868 21.172 4.98365 21.1721 -19.1068 31.3483 4.98371 31.3483 -4.18573 GPRESSAVG: 1632800 94.6405 19.8315 2.65281 23.9362 -19.2165 32.1244 5.81411 29.7985 -4.66818 TIMING: 1632800 CPU: 5143.96, 0.003163/step Wall: 5143.96, 0.003163/step, 2.95846 hours remaining, 238.812500 MB of memory in use. ENERGY: 1632800 4065.8329 20594.9714 14431.0604 245.7071 -203364.2872 2691.3972 0.0000 0.0000 52015.6430 -109319.6753 298.9346 -161335.3182 -108953.5804 299.4601 36.6733 63.9182 762191.7466 23.7314 23.5853 PRESSURE: 1633000 223.468 98.5106 -245.425 98.5108 12.931 -8.73473 -245.427 -8.73517 -188.55 GPRESSURE: 1633000 195.353 18.2242 -294.236 -27.6304 82.5118 71.8973 -54.8323 50.7333 -145.941 PRESSAVG: 1633000 25.611 18.4742 -13.8495 18.4742 -17.5713 1.39959 -13.8495 1.39945 -4.49869 GPRESSAVG: 1633000 25.42 18.1221 -12.2321 16.3832 -17.8584 0.935334 -13.3132 1.05966 -3.23894 TIMING: 1633000 CPU: 5144.59, 0.00315939/step Wall: 5144.59, 0.00315939/step, 2.95491 hours remaining, 238.812500 MB of memory in use. ENERGY: 1633000 4046.6436 20658.3378 14428.2123 246.5564 -202837.7202 2263.8089 0.0000 0.0000 51834.6155 -109359.5456 297.8942 -161194.1611 -109002.1767 299.4091 15.9497 43.9746 761958.7131 1.1804 1.4409 PRESSURE: 1633200 135.106 -110.652 94.2997 -110.651 -85.6348 72.503 94.2999 72.5028 56.3593 GPRESSURE: 1633200 154.473 -18.6926 87.1496 -147.523 -46.5495 56.9115 94.0533 6.23113 81.1172 PRESSAVG: 1633200 26.2468 27.3952 -40.3162 27.3951 -1.60948 75.7331 -40.3163 75.7331 6.15122 GPRESSAVG: 1633200 27.514 28.1692 -41.4412 25.7794 -1.65522 74.6311 -39.5324 76.4171 5.30347 TIMING: 1633200 CPU: 5145.22, 0.00315777/step Wall: 5145.22, 0.00315777/step, 2.95322 hours remaining, 238.812500 MB of memory in use. ENERGY: 1633200 3998.1222 20665.5583 14419.5232 263.8583 -203585.3138 2791.5868 0.0000 0.0000 52099.6111 -109347.0539 299.4172 -161446.6650 -108986.2688 299.7258 35.2769 63.0135 761402.7020 10.2629 10.3874 PRESSURE: 1633400 181.726 194.268 12.1706 194.268 222.427 284.869 12.1692 284.869 63.7245 GPRESSURE: 1633400 310.583 195.269 60.4618 117.09 281.626 344.314 131.826 220.755 -41.0254 PRESSAVG: 1633400 36.3249 0.356486 -26.9754 0.356427 -28.6237 -10.0919 -26.9754 -10.092 -13.2049 GPRESSAVG: 1633400 35.6967 1.21227 -27.2834 1.44314 -28.9038 -9.01362 -27.5073 -11.6527 -12.4653 TIMING: 1633400 CPU: 5145.86, 0.00316959/step Wall: 5145.86, 0.00316959/step, 2.96409 hours remaining, 238.812500 MB of memory in use. ENERGY: 1633400 3943.4337 20595.8607 14439.7247 235.8673 -203206.5689 2608.7402 0.0000 0.0000 52013.5514 -109369.3907 298.9226 -161382.9422 -109010.8159 299.8619 155.9591 183.7277 763234.4671 -1.8346 -1.8908 PRESSURE: 1633600 -70.0975 111.917 -194.681 111.918 282.394 176.187 -194.682 176.187 -20.7836 GPRESSURE: 1633600 -42.164 80.9114 -295.288 70.4096 343.101 173.343 -104.539 255.31 -6.31106 PRESSAVG: 1633600 34.9731 -5.17174 -13.867 -5.17174 -59.3928 -26.0668 -13.867 -26.0668 16.4265 GPRESSAVG: 1633600 35.7989 -5.99301 -13.408 -5.0586 -59.1021 -24.9948 -13.5386 -25.1563 15.566 TIMING: 1633600 CPU: 5146.49, 0.00314927/step Wall: 5146.49, 0.00314927/step, 2.94492 hours remaining, 238.812500 MB of memory in use. ENERGY: 1633600 3993.6174 20562.9971 14375.5567 224.3313 -203298.9962 2575.5617 0.0000 0.0000 52151.5423 -109415.3896 299.7156 -161566.9319 -109047.6987 299.2019 63.8377 98.2087 762304.7615 -2.6644 -2.5791 PRESSURE: 1633800 -13.7265 10.158 61.1408 10.1583 -301.217 -45.3777 61.1412 -45.3776 -319.944 GPRESSURE: 1633800 42.6345 -48.6802 82.3384 98.7203 -264.844 -55.6299 -36.4541 -34.9049 -311.349 PRESSAVG: 1633800 46.2644 -1.66996 -12.8793 -1.66996 -62.5587 6.87355 -12.8793 6.87357 -3.27937 GPRESSAVG: 1633800 45.056 -4.74065 -10.9627 -1.66156 -63.4548 6.03586 -14.3093 7.07817 -2.02504 TIMING: 1633800 CPU: 5147.12, 0.00315815/step Wall: 5147.12, 0.00315815/step, 2.95305 hours remaining, 238.812500 MB of memory in use. ENERGY: 1633800 4003.3106 20651.8061 14451.3219 247.1376 -203049.6966 2398.3577 0.0000 0.0000 51906.9597 -109390.8031 298.3100 -161297.7628 -109040.7150 299.3499 -211.6290 -177.8530 762425.3025 -6.5246 -6.8079 PRESSURE: 1634000 24.046 -158.277 123.311 -158.278 -185.764 184.663 123.311 184.662 56.9827 GPRESSURE: 1634000 48.9572 -101.987 55.0707 -59.0751 -198.271 224.453 85.687 179.408 110.22 PRESSAVG: 1634000 96.6013 5.53434 -6.15619 5.53434 -81.1672 7.78047 -6.15621 7.78053 6.53009 GPRESSAVG: 1634000 96.9933 8.02052 -7.10045 6.3653 -80.9984 7.89907 -5.81642 8.47273 6.3059 TIMING: 1634000 CPU: 5147.75, 0.00315863/step Wall: 5147.75, 0.00315863/step, 2.95332 hours remaining, 238.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1634000 4007.0580 20594.2682 14459.5437 241.1987 -203209.0940 2542.6643 0.0000 0.0000 52155.3436 -109209.0175 299.7375 -161364.3611 -108854.9898 299.5661 -34.9118 -13.0312 761940.0914 7.3214 7.4336 PRESSURE: 1634200 -168.107 -11.5784 58.2048 -11.5788 -171.93 -140.992 58.2042 -140.992 377.032 GPRESSURE: 1634200 -57.0726 48.6063 51.4205 -32.0218 -154.594 -191.085 81.0215 -83.0491 325.02 PRESSAVG: 1634200 47.0001 24.7277 7.71683 24.7277 -18.4602 48.6453 7.71674 48.6453 3.57247 GPRESSAVG: 1634200 47.0601 24.5968 7.72897 22.7862 -17.5606 46.341 8.25442 49.1284 2.47668 TIMING: 1634200 CPU: 5148.39, 0.00318126/step Wall: 5148.39, 0.00318126/step, 2.9743 hours remaining, 238.812500 MB of memory in use. ENERGY: 1634200 3996.1316 20688.3590 14453.4046 261.3868 -202574.2055 2210.1446 0.0000 0.0000 51737.7460 -109227.0329 297.3375 -160964.7789 -108876.3781 299.6416 12.3318 37.7847 762215.2291 10.7041 10.6587 PRESSURE: 1634400 220.671 -116.442 -166.819 -116.442 107.961 50.0017 -166.819 50.0022 616.678 GPRESSURE: 1634400 286.477 -151.579 -110.845 -54.4326 208.712 35.2632 -155.098 -4.60656 549.26 PRESSAVG: 1634400 52.3748 -42.006 -28.9621 -42.006 -17.8019 1.09754 -28.9621 1.09749 4.77992 GPRESSAVG: 1634400 53.3606 -41.2257 -28.556 -40.8162 -18.4156 1.90087 -28.688 -0.617835 4.96108 TIMING: 1634400 CPU: 5149.01, 0.00314183/step Wall: 5149.01, 0.00314183/step, 2.93726 hours remaining, 238.812500 MB of memory in use. ENERGY: 1634400 3963.7089 20413.6839 14468.8047 244.2112 -203413.3699 2778.6012 0.0000 0.0000 52365.4192 -109178.9408 300.9448 -161544.3600 -108816.2147 299.7481 315.1033 348.1497 761749.1446 13.1176 13.3020 PRESSURE: 1634600 7.68379 164.237 -220.335 164.237 82.2436 -72.0712 -220.336 -72.0724 373.567 GPRESSURE: 1634600 94.1392 155.185 -236.021 211.731 164.813 -51.1371 -277.239 -2.61069 280.075 PRESSAVG: 1634600 -3.74228 -14.7047 -6.75151 -14.7047 22.5072 51.9654 -6.75153 51.9654 16.8587 GPRESSAVG: 1634600 -5.09488 -17.651 -6.68337 -12.7467 24.6269 52.3208 -8.43582 51.3967 16.072 TIMING: 1634600 CPU: 5149.64, 0.00313264/step Wall: 5149.64, 0.00313264/step, 2.92849 hours remaining, 238.812500 MB of memory in use. ENERGY: 1634600 4014.9158 20519.7927 14398.2475 243.3125 -202737.8772 2336.9440 0.0000 0.0000 51975.6287 -109249.0361 298.7047 -161224.6648 -108892.7089 299.8402 154.4980 179.6760 765132.3613 11.8745 11.8680 PRESSURE: 1634800 -4.86944 98.7135 -58.5186 98.7133 -247.652 -52.2937 -58.5187 -52.2927 -411.645 GPRESSURE: 1634800 60.1621 174.491 -159.978 105.182 -215.192 -14.3237 -58.038 -70.3121 -414.641 PRESSAVG: 1634800 -19.9459 5.36891 -19.3333 5.36893 -9.82985 -16.3447 -19.3333 -16.3447 7.51964 GPRESSAVG: 1634800 -19.6263 8.05709 -21.9879 2.84318 -11.1199 -15.3483 -17.6538 -14.1885 8.09296 TIMING: 1634800 CPU: 5150.27, 0.00314234/step Wall: 5150.27, 0.00314234/step, 2.93739 hours remaining, 238.812500 MB of memory in use. ENERGY: 1634800 3939.5112 20573.5573 14410.0685 233.5311 -203090.2305 2628.9233 0.0000 0.0000 52158.7102 -109145.9289 299.7568 -161304.6392 -108784.7688 299.7500 -221.3887 -189.8901 765239.2164 -7.4187 -7.5511 PRESSURE: 1635000 -33.9944 190.407 -64.6945 190.408 7.64993 56.8702 -64.6939 56.8693 325.858 GPRESSURE: 1635000 57.6429 154.133 -204.089 207.776 42.4629 41.565 -6.44155 155.122 281.953 PRESSAVG: 1635000 29.1373 18.0107 -10.4557 18.0107 -20.7948 34.7777 -10.4558 34.7778 19.3877 GPRESSAVG: 1635000 28.9321 16.507 -9.1602 19.6652 -20.4076 34.4906 -9.6646 34.5355 19.4995 TIMING: 1635000 CPU: 5150.89, 0.00312969/step Wall: 5150.89, 0.00312969/step, 2.92539 hours remaining, 238.812500 MB of memory in use. ENERGY: 1635000 3954.2246 20448.7312 14396.7705 258.5594 -203155.5962 2825.6040 0.0000 0.0000 52049.2771 -109222.4294 299.1279 -161271.7065 -108854.3017 299.7542 99.8377 127.3531 765670.6448 9.2434 9.3413 PRESSURE: 1635200 158.052 -4.66284 10.0804 -4.66291 528.029 175.984 10.0805 175.985 240.367 GPRESSURE: 1635200 247.391 28.2916 66.2576 38.0258 453.08 191.234 93.1651 46.0392 310.052 PRESSAVG: 1635200 35.9741 2.42273 18.6821 2.4228 -7.18578 -8.40114 18.6821 -8.40124 -29.1019 GPRESSAVG: 1635200 35.9295 3.02241 17.8946 1.89587 -8.5192 -8.01858 18.3204 -10.2018 -28.1797 TIMING: 1635200 CPU: 5151.52, 0.00314312/step Wall: 5151.52, 0.00314312/step, 2.93777 hours remaining, 238.812500 MB of memory in use. ENERGY: 1635200 3935.4831 20583.7530 14396.7539 238.6955 -203365.9690 3003.0116 0.0000 0.0000 52098.3123 -109109.9595 299.4097 -161208.2718 -108752.9693 299.9174 308.8158 336.8410 762404.5102 -0.1045 -0.2565 PRESSURE: 1635400 79.4299 -190.921 -148.042 -190.92 -32.4127 -59.0935 -148.042 -59.0948 -67.2625 GPRESSURE: 1635400 37.0246 -117.159 -137.782 -186.004 61.4991 -5.31299 -54.5091 -18.9702 -13.494 PRESSAVG: 1635400 -0.200976 -33.1522 0.527467 -33.1522 14.7212 6.25676 0.527507 6.25678 3.4922 GPRESSAVG: 1635400 0.286876 -34.4459 2.76684 -33.7497 15.9264 5.91574 -0.0881856 8.19489 2.25002 TIMING: 1635400 CPU: 5152.15, 0.00314863/step Wall: 5152.15, 0.00314863/step, 2.94274 hours remaining, 238.812500 MB of memory in use. ENERGY: 1635400 4035.6356 20512.2842 14497.8348 267.3880 -203164.5672 2564.3732 0.0000 0.0000 52067.2767 -109219.7747 299.2314 -161287.0514 -108864.7295 299.7806 -6.7484 28.3432 763283.3451 6.0041 6.1544 PRESSURE: 1635600 -95.9468 -32.073 -102.34 -32.0735 215.161 60.9386 -102.34 60.9383 349.716 GPRESSURE: 1635600 23.1521 4.20675 -112.316 -132.604 152.826 78.7133 -96.2344 90.3612 383.869 PRESSAVG: 1635600 18.4341 0.399027 -15.2221 0.399116 -27.4869 29.5305 -15.2221 29.5305 0.0336258 GPRESSAVG: 1635600 17.776 1.36803 -17.6666 -0.360172 -27.3387 29.2794 -11.237 28.4712 0.588751 TIMING: 1635600 CPU: 5152.78, 0.00313812/step Wall: 5152.78, 0.00313812/step, 2.93275 hours remaining, 238.812500 MB of memory in use. ENERGY: 1635600 3961.2602 20376.2288 14503.5098 252.5383 -202909.0609 2515.5629 0.0000 0.0000 52183.1777 -109116.7832 299.8974 -161299.9609 -108741.3665 299.4759 156.3103 186.6158 763934.6667 -3.0064 -2.9913 PRESSURE: 1635800 -189.081 -183.968 -18.3948 -183.967 -360.865 -102.728 -18.3943 -102.729 -125.98 GPRESSURE: 1635800 -136.32 -159.015 -24.8615 -114.677 -294.855 -149.825 -33.0897 -77.2514 -131.895 PRESSAVG: 1635800 0.962782 4.99564 19.7845 4.99565 -14.4395 31.6557 19.7845 31.6556 -12.6881 GPRESSAVG: 1635800 1.07278 3.10324 20.9529 8.00513 -14.4234 32.9866 16.4254 31.1097 -12.4341 TIMING: 1635800 CPU: 5153.41, 0.0031542/step Wall: 5153.41, 0.0031542/step, 2.9476 hours remaining, 238.812500 MB of memory in use. ENERGY: 1635800 3991.9580 20310.6052 14456.0551 249.3212 -202947.9924 2503.8293 0.0000 0.0000 52180.4608 -109255.7627 299.8818 -161436.2236 -108899.6186 299.8548 -225.3086 -187.6900 764185.5497 -8.7216 -8.5949 PRESSURE: 1636000 174.688 220.225 10.5467 220.224 -295.663 -240.988 10.5477 -240.988 328.565 GPRESSURE: 1636000 107.458 153.518 41.4211 170.445 -156.883 -251.914 -14.1604 -89.0273 340.373 PRESSAVG: 1636000 52.1263 -13.2858 -21.7364 -13.2858 -78.3467 -51.9032 -21.7364 -51.9031 -3.99358 GPRESSAVG: 1636000 52.09 -10.8219 -21.9016 -16.4009 -78.6027 -52.5065 -23.7522 -50.9331 -3.97507 TIMING: 1636000 CPU: 5154.04, 0.00316044/step Wall: 5154.04, 0.00316044/step, 2.95325 hours remaining, 238.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1636000 4035.0686 20592.4029 14566.2652 243.0326 -202929.1342 2379.7047 0.0000 0.0000 51938.3059 -109174.3543 298.4902 -161112.6602 -108810.4804 299.5671 69.1965 96.9826 761746.2348 -10.0713 -10.1626 PRESSURE: 1636200 -94.7826 -111.987 -96.2097 -111.987 -3.88232 -19.6036 -96.2096 -19.6049 249.079 GPRESSURE: 1636200 -76.1504 -29.9043 -95.8237 -117.753 32.9102 29.4829 -61.9262 -97.3694 260.907 PRESSAVG: 1636200 -16.26 -2.81862 -8.72816 -2.81861 27.8232 -8.27721 -8.72815 -8.27709 13.8957 GPRESSAVG: 1636200 -16.4884 -4.5348 -9.10073 -0.276304 28.3026 -10.0247 -7.16307 -7.87873 13.2914 TIMING: 1636200 CPU: 5154.67, 0.00313881/step Wall: 5154.67, 0.00313881/step, 2.93286 hours remaining, 238.812500 MB of memory in use. ENERGY: 1636200 3969.7254 20507.3375 14453.6261 233.6743 -203061.4285 2485.1602 0.0000 0.0000 52096.8888 -109315.0162 299.4015 -161411.9050 -108948.5480 299.5850 50.1381 72.5556 765179.2631 8.4863 8.3685 LDB: ============= START OF LOAD BALANCING ============== 5167.07 LDB: ============== END OF LOAD BALANCING =============== 5167.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5167.07 LDB: ============= START OF LOAD BALANCING ============== 5167.39 LDB: Largest compute 7034 load 0.033023 is 16.8% of average load 0.196021 LDB: Average compute 0.004388 is 2.2% of average load 0.196021 LDB: TIME 5167.39 LOAD: AVG 0.196021 MAX 0.218797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 5167.39 LOAD: AVG 0.196021 MAX 0.218797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: TIME 5167.39 LOAD: AVG 0.196021 MAX 0.218699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: ============== END OF LOAD BALANCING =============== 5167.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5167.4 PRESSURE: 1636400 -173.345 -76.4357 -131.62 -76.435 -69.6446 127.854 -131.62 127.853 182.749 GPRESSURE: 1636400 -135.57 -49.4435 -170.233 -92.2117 -30.308 78.5095 -49.3339 56.9579 183.292 PRESSAVG: 1636400 -59.0586 -3.35954 13.7855 -3.35952 101.576 -5.77935 13.7854 -5.7793 17.4606 GPRESSAVG: 1636400 -57.5519 -1.55626 14.0686 -3.51426 101.052 -5.32144 11.8337 -6.42248 16.4729 TIMING: 1636400 CPU: 5155.31, 0.00321292/step Wall: 5155.31, 0.00321292/step, 3.00194 hours remaining, 238.660156 MB of memory in use. ENERGY: 1636400 3970.3789 20606.8534 14427.7447 252.4442 -202530.9768 2033.3063 0.0000 0.0000 51940.4556 -109299.7937 298.5025 -161240.2493 -108959.5972 299.5955 -20.0801 5.8049 761940.3442 19.9926 19.9911 PRESSURE: 1636600 423.125 225.421 -211.993 225.421 215.656 86.9703 -211.993 86.9707 334.509 GPRESSURE: 1636600 396.592 352.89 -291.974 113.527 293.308 -23.0982 -160.38 122.004 378.708 PRESSAVG: 1636600 34.1626 28.3044 -33.9932 28.3044 -55.1266 35.4832 -33.9932 35.4832 1.7254 GPRESSAVG: 1636600 32.3231 26.731 -34.0915 26.4055 -54.5432 34.1913 -32.0283 35.2299 3.05191 TIMING: 1636600 CPU: 5155.94, 0.00314575/step Wall: 5155.94, 0.00314575/step, 2.939 hours remaining, 238.863281 MB of memory in use. ENERGY: 1636600 3933.1394 20309.5092 14437.2247 237.8883 -203606.4328 2857.9022 0.0000 0.0000 52421.6961 -109409.0729 301.2682 -161830.7690 -109047.3457 299.2234 324.4301 356.2029 760432.6677 -6.4129 -6.3894 PRESSURE: 1636800 -89.014 -117.301 219.109 -117.301 -466.058 -118.616 219.11 -118.616 330.057 GPRESSURE: 1636800 -33.7354 -31.6507 189.734 -63.4514 -419.124 -169.966 120.261 -164.814 310.841 PRESSAVG: 1636800 -11.4127 1.1005 -49.3367 1.10052 -22.6662 32.9406 -49.3367 32.9406 3.1055 GPRESSAVG: 1636800 -11.5641 1.52261 -49.0791 0.971502 -21.7549 34.8767 -48.9974 31.657 2.22547 TIMING: 1636800 CPU: 5156.57, 0.0031393/step Wall: 5156.57, 0.0031393/step, 2.93281 hours remaining, 238.863281 MB of memory in use. ENERGY: 1636800 3985.1552 20668.9338 14430.5517 259.3055 -203292.2143 2515.6643 0.0000 0.0000 51985.1622 -109447.4414 298.7594 -161432.6037 -109100.3949 299.6436 -75.0052 -47.3392 762247.3433 -10.3245 -10.3645 PRESSURE: 1637000 -6.29527 -28.6754 1.84128 -28.6758 263.342 -70.5908 1.84153 -70.5908 -50.7959 GPRESSURE: 1637000 174.01 166.989 63.419 -42.0059 220.469 -46.4135 -39.9494 -17.9369 -104.403 PRESSAVG: 1637000 30.6954 -39.9607 -2.15497 -39.9608 -0.493966 -26.953 -2.15498 -26.9529 3.11194 GPRESSAVG: 1637000 32.057 -40.3349 -1.26678 -38.9272 -1.59603 -27.4682 -5.72478 -25.5255 3.04862 TIMING: 1637000 CPU: 5157.2, 0.00316111/step Wall: 5157.2, 0.00316111/step, 2.953 hours remaining, 238.863281 MB of memory in use. ENERGY: 1637000 4007.8407 20540.7142 14386.6211 241.3402 -203639.6335 2778.1541 0.0000 0.0000 52212.1498 -109472.8134 300.0639 -161684.9633 -109112.3502 299.4417 68.7503 96.6921 760955.5526 11.1045 11.1699 PRESSURE: 1637200 15.7199 150.535 -95.2552 150.535 109.446 190.243 -95.2545 190.243 269.678 GPRESSURE: 1637200 61.9515 104.85 -113.453 228.331 44.0959 205.974 69.9804 -41.5495 365.45 PRESSAVG: 1637200 16.3802 -30.3513 -68.5078 -30.3513 -20.1664 55.4699 -68.5079 55.4698 0.883579 GPRESSAVG: 1637200 16.256 -30.4178 -70.4139 -31.8035 -20.2292 56.3691 -65.1524 54.1832 1.52292 TIMING: 1637200 CPU: 5157.83, 0.00315371/step Wall: 5157.83, 0.00315371/step, 2.94591 hours remaining, 238.863281 MB of memory in use. ENERGY: 1637200 4003.9357 20436.6921 14476.6183 260.3494 -203373.7569 2728.9518 0.0000 0.0000 52069.0325 -109398.1772 299.2414 -161467.2096 -109036.0706 299.6801 131.6148 157.1659 762275.5936 -0.9675 -0.8168 PRESSURE: 1637400 320.91 -46.5209 -174.408 -46.5206 53.9141 -97.9389 -174.408 -97.9394 -99.5033 GPRESSURE: 1637400 356.881 -116.887 -136.358 -58.2526 101.724 -133.408 -329.711 -54.903 -117.06 PRESSAVG: 1637400 -5.90555 -29.3553 -2.51441 -29.3553 -15.8577 -4.26197 -2.51436 -4.26207 1.54676 GPRESSAVG: 1637400 -6.09583 -29.4052 -2.04524 -28.584 -16.3775 -3.80286 -1.86371 -4.29774 1.37623 TIMING: 1637400 CPU: 5158.46, 0.00315015/step Wall: 5158.46, 0.00315015/step, 2.94241 hours remaining, 238.863281 MB of memory in use. ENERGY: 1637400 3909.5776 20544.6280 14447.2450 255.3364 -203476.3077 2705.6287 0.0000 0.0000 52134.0311 -109479.8609 299.6150 -161613.8920 -109116.6942 299.4353 91.7736 113.8483 761844.9150 -6.7388 -7.0324 PRESSURE: 1637600 318.543 12.4267 -283.874 12.4263 -365.009 -88.8414 -283.875 -88.8429 407.072 GPRESSURE: 1637600 345.531 15.5924 -314.32 -27.9072 -203.185 -103.319 -314.128 37.1734 288.676 PRESSAVG: 1637600 -21.6033 -56.8161 -0.0800299 -56.8161 -1.03159 2.76549 -0.0799921 2.76551 4.42353 GPRESSAVG: 1637600 -22.8115 -56.3679 -0.746377 -58.345 0.943072 2.80157 -1.80902 2.49854 3.72667 TIMING: 1637600 CPU: 5159.09, 0.00312367/step Wall: 5159.09, 0.00312367/step, 2.91751 hours remaining, 238.863281 MB of memory in use. ENERGY: 1637600 3845.9496 20635.3038 14405.2533 246.6365 -203459.0010 2712.9788 0.0000 0.0000 52183.4027 -109429.4763 299.8987 -161612.8789 -109065.3612 299.3841 120.2018 143.6740 762705.9730 -6.0704 -6.0472 PRESSURE: 1637800 -95.4365 -22.6677 40.5205 -22.6678 120.887 124.761 40.5202 124.762 -141.866 GPRESSURE: 1637800 -70.6177 -36.3231 -13.0591 -20.4249 87.101 18.055 30.1787 145.327 -49.9252 PRESSAVG: 1637800 13.6902 21.4948 -32.951 21.4948 -40.3352 8.66801 -32.9511 8.66805 -5.78773 GPRESSAVG: 1637800 13.447 22.1813 -33.8151 23.5843 -42.1754 7.09784 -31.5025 11.2099 -4.55436 TIMING: 1637800 CPU: 5159.72, 0.00317058/step Wall: 5159.72, 0.00317058/step, 2.96114 hours remaining, 238.863281 MB of memory in use. ENERGY: 1637800 3907.9681 20598.9892 14405.6112 245.9137 -203591.0977 2869.0707 0.0000 0.0000 51842.0985 -109721.4463 297.9373 -161563.5448 -109353.2782 298.7896 -38.8054 -11.1473 762545.3395 -10.8109 -11.0942 PRESSURE: 1638000 241.481 -131.495 20.4311 -131.495 -186.396 -57.0091 20.4308 -57.0096 -122.997 GPRESSURE: 1638000 254.232 -161.527 -16.7423 -186.375 -148.854 7.16676 86.5761 4.37663 -83.2446 PRESSAVG: 1638000 9.76893 -21.4011 -21.9703 -21.4012 -19.0003 7.31416 -21.9703 7.31414 19.1366 GPRESSAVG: 1638000 9.38832 -23.1249 -21.0052 -21.6881 -18.2609 8.83897 -22.1586 3.785 18.4469 TIMING: 1638000 CPU: 5160.36, 0.00316182/step Wall: 5160.36, 0.00316182/step, 2.95279 hours remaining, 238.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1638000 3967.0891 20558.0172 14475.1283 248.3114 -203378.1311 2605.1973 0.0000 0.0000 52084.9793 -109439.4085 299.3331 -161524.3878 -109085.2734 299.2014 -22.6374 7.3778 762531.6852 3.3017 3.1914 PRESSURE: 1638200 106.927 11.6624 -326.149 11.6631 -39.1176 -161.197 -326.149 -161.198 0.261499 GPRESSURE: 1638200 160.429 -160.37 -273.725 69.9286 -14.1845 -158.141 -274.585 -130.247 -3.14966 PRESSAVG: 1638200 57.1825 -22.0718 -61.7264 -22.0718 -76.1412 -35.5189 -61.7265 -35.5189 -1.30208 GPRESSAVG: 1638200 58.7872 -21.1528 -61.4482 -23.6109 -77.2047 -35.9409 -60.593 -33.5394 -1.22325 TIMING: 1638200 CPU: 5160.99, 0.00317352/step Wall: 5160.99, 0.00317352/step, 2.96354 hours remaining, 238.863281 MB of memory in use. ENERGY: 1638200 3959.3483 20626.5278 14455.4210 247.1170 -203215.0318 2548.8354 0.0000 0.0000 51972.9894 -109404.7928 298.6895 -161377.7822 -109053.7247 299.2093 22.6904 47.6982 760961.2891 -6.7536 -6.5469 PRESSURE: 1638400 92.694 -81.0523 -127.821 -81.0533 361.784 63.4074 -127.821 63.4073 -115.351 GPRESSURE: 1638400 96.2394 -33.3562 -60.4599 -96.8805 404.607 29.0844 -3.04989 91.574 -74.1128 PRESSAVG: 1638400 -10.8099 -17.7093 -39.2713 -17.7094 27.3161 -16.1084 -39.2713 -16.1084 -12.5601 GPRESSAVG: 1638400 -12.077 -18.4154 -38.1795 -15.7528 27.4938 -16.2656 -40.0025 -14.7574 -11.6238 TIMING: 1638400 CPU: 5161.62, 0.0031284/step Wall: 5161.62, 0.0031284/step, 2.92123 hours remaining, 238.863281 MB of memory in use. ENERGY: 1638400 3967.3192 20576.3999 14388.0938 262.3875 -203317.8539 2715.8590 0.0000 0.0000 51811.7542 -109596.0403 297.7629 -161407.7945 -109243.2936 298.7168 113.0421 142.2444 761672.9175 1.3154 1.2643 PRESSURE: 1638600 70.4625 109.851 121.402 109.851 18.1444 -332.39 121.402 -332.39 -23.4504 GPRESSURE: 1638600 89.6597 107.53 121.293 72.9995 34.9885 -220.121 99.5358 -343.403 28.0449 PRESSAVG: 1638600 -49.4239 30.2569 -32.6927 30.2569 6.23908 23.9374 -32.6927 23.9373 -0.756363 GPRESSAVG: 1638600 -47.89 30.7681 -33.7395 29.6496 4.45401 22.8492 -32.8248 24.5067 -0.64716 TIMING: 1638600 CPU: 5162.24, 0.00314168/step Wall: 5162.24, 0.00314168/step, 2.93346 hours remaining, 238.863281 MB of memory in use. ENERGY: 1638600 4043.2076 20413.8804 14454.2797 242.3951 -203481.3469 2775.5972 0.0000 0.0000 52185.5636 -109366.4232 299.9112 -161551.9868 -109020.2296 299.1983 21.7188 50.8977 760666.6834 -14.6471 -14.6944 PRESSURE: 1638800 98.85 -18.8534 -90.6668 -18.8532 -144.573 -74.7906 -90.6666 -74.7894 186.285 GPRESSURE: 1638800 168.226 66.8939 -82.3716 40.0741 -81.2149 13.5816 -98.271 19.9612 134.213 PRESSAVG: 1638800 -36.6465 3.29207 -38.8816 3.29208 -27.9373 3.34125 -38.8816 3.34123 16.7751 GPRESSAVG: 1638800 -36.3399 3.57438 -38.6231 4.60747 -26.8514 5.90502 -39.9769 2.358 16.0683 TIMING: 1638800 CPU: 5162.87, 0.00313734/step Wall: 5162.87, 0.00313734/step, 2.92923 hours remaining, 238.863281 MB of memory in use. ENERGY: 1638800 3955.7023 20617.6831 14434.7391 240.6502 -203276.3045 2645.7749 0.0000 0.0000 52044.7310 -109337.0239 299.1018 -161381.7549 -108982.1633 299.2334 46.8542 73.7416 763310.7636 -15.9362 -15.7077 PRESSURE: 1639000 81.2158 12.4269 10.9987 12.4268 246.021 73.9862 10.9976 73.9864 83.7006 GPRESSURE: 1639000 101.103 121.147 -26.1355 2.56511 295.252 104.14 97.5895 -106.777 108.947 PRESSAVG: 1639000 -25.0941 28.447 59.7922 28.447 -8.07773 44.667 59.7922 44.6671 8.97985 GPRESSAVG: 1639000 -27.5584 28.3635 61.1956 28.275 -5.50084 45.6992 60.1929 45.6389 9.00788 TIMING: 1639000 CPU: 5163.49, 0.00311523/step Wall: 5163.49, 0.00311523/step, 2.90841 hours remaining, 238.863281 MB of memory in use. ENERGY: 1639000 3995.7037 20476.3938 14464.2608 250.6931 -203402.6310 2536.0846 0.0000 0.0000 52145.4060 -109534.0890 299.6804 -161679.4950 -109168.0272 299.6195 136.9790 168.4340 761426.4464 -8.0640 -8.0171 PRESSURE: 1639200 112.794 -187.24 167.291 -187.239 49.5655 -238.045 167.291 -238.045 284.231 GPRESSURE: 1639200 146.319 -133.853 183.992 -160.787 88.9976 -258.261 69.1062 -213.974 298.184 PRESSAVG: 1639200 -25.3596 -15.014 -26.7347 -15.014 28.1813 -8.62802 -26.7347 -8.62795 -16.5946 GPRESSAVG: 1639200 -22.4494 -14.7829 -28.0714 -16.0238 26.2727 -11.6069 -27.0358 -9.01121 -17.4183 TIMING: 1639200 CPU: 5164.12, 0.00313112/step Wall: 5164.12, 0.00313112/step, 2.92307 hours remaining, 238.863281 MB of memory in use. ENERGY: 1639200 4030.4458 20548.5545 14421.8169 252.4277 -203331.6035 2641.7195 0.0000 0.0000 52123.2953 -109313.3440 299.5533 -161436.6393 -108966.8136 299.7950 148.8636 177.8337 760525.7397 -4.5910 -4.5316 PRESSURE: 1639400 141.313 -57.7915 8.8733 -57.7915 -150.403 177.918 8.87366 177.917 437.232 GPRESSURE: 1639400 169.089 -12.1632 29.2212 -45.6799 -115.828 199.619 189.697 19.4448 474.989 PRESSAVG: 1639400 18.2994 -39.6323 30.2671 -39.6323 16.3823 -19.6351 30.267 -19.6351 5.41911 GPRESSAVG: 1639400 16.8564 -38.4402 31.1769 -40.4347 17.1167 -18.6372 29.736 -21.032 5.50212 TIMING: 1639400 CPU: 5164.75, 0.00313748/step Wall: 5164.75, 0.00313747/step, 2.92883 hours remaining, 238.863281 MB of memory in use. ENERGY: 1639400 3962.9931 20543.8252 14421.9191 252.2447 -203446.8650 2684.0697 0.0000 0.0000 52388.5949 -109193.2182 301.0780 -161581.8131 -108822.4077 300.1906 142.7139 176.0834 761279.3972 13.3669 13.1584 PRESSURE: 1639600 -257.918 -31.8276 22.8101 -31.8279 -304.377 -141.254 22.8112 -141.254 -243.108 GPRESSURE: 1639600 -205.734 19.1452 -72.5196 -60.6614 -289.911 -148.973 103.554 -75.7108 -226.745 PRESSAVG: 1639600 19.3929 25.8101 -19.0213 25.81 -18.744 3.21655 -19.0213 3.21665 20.1461 GPRESSAVG: 1639600 19.9836 25.4293 -19.292 25.0174 -19.7541 2.50052 -17.9809 4.13866 20.5722 TIMING: 1639600 CPU: 5165.38, 0.00314309/step Wall: 5165.38, 0.00314309/step, 2.9339 hours remaining, 238.863281 MB of memory in use. ENERGY: 1639600 4037.0444 20409.1827 14464.5612 252.2754 -203145.4258 2386.5335 0.0000 0.0000 52544.9036 -109050.9249 301.9763 -161595.8285 -108683.0683 300.4925 -268.4678 -240.7967 762518.0088 6.9317 6.9339 PRESSURE: 1639800 -307.819 341.9 220.165 341.901 -47.6424 50.8221 220.165 50.8204 296.32 GPRESSURE: 1639800 -242.212 351.942 271.196 254.588 140.212 37.6649 127.359 -51.9018 115.469 PRESSAVG: 1639800 -56.9818 39.607 -35.324 39.607 26.2287 4.37035 -35.324 4.37028 -12.9673 GPRESSAVG: 1639800 -57.8947 38.0183 -35.3741 41.7859 26.4832 6.08327 -35.6773 3.7085 -13.0423 TIMING: 1639800 CPU: 5166.01, 0.00314381/step Wall: 5166.01, 0.00314381/step, 2.9344 hours remaining, 238.863281 MB of memory in use. ENERGY: 1639800 3990.6467 20605.1142 14425.1468 235.0984 -203160.5250 2548.8636 0.0000 0.0000 52148.4065 -109207.2488 299.6976 -161355.6554 -108847.0577 300.4272 -19.7140 4.4897 761650.5059 -14.5734 -14.8179 PRESSURE: 1640000 252.989 -184.258 -82.5268 -184.259 7.67586 44.3015 -82.5266 44.3017 -35.9826 GPRESSURE: 1640000 257.646 -200.404 -102.111 -166.618 127.636 -95.1677 -93.1651 92.1995 -62.5023 PRESSAVG: 1640000 -42.2038 -17.1437 -34.3213 -17.1437 48.8357 -22.5809 -34.3213 -22.581 24.1252 GPRESSAVG: 1640000 -42.0646 -17.1425 -34.5748 -17.5063 49.2385 -24.6662 -35.5034 -21.3054 23.8868 TIMING: 1640000 CPU: 5166.63, 0.00312395/step Wall: 5166.63, 0.00312395/step, 2.91569 hours remaining, 238.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1640000 3988.0620 20445.5654 14512.8428 235.4749 -203186.9721 2597.6383 0.0000 0.0000 52175.0050 -109232.3837 299.8505 -161407.3887 -108872.1439 300.0548 74.8940 107.5933 758041.6264 10.2523 10.3536 PRESSURE: 1640200 -598.749 153.099 82.8314 153.099 -262.179 -109.914 82.8316 -109.913 -387.496 GPRESSURE: 1640200 -486.127 157.726 28.0038 159.923 -221.253 -27.3465 -38.029 -99.8271 -450.131 PRESSAVG: 1640200 4.7091 -12.3456 14.7295 -12.3456 -34.0035 1.27839 14.7296 1.27844 11.8152 GPRESSAVG: 1640200 6.41122 -12.2528 15.3286 -11.8478 -34.7876 1.88213 14.6493 1.54819 11.7839 TIMING: 1640200 CPU: 5167.26, 0.00314515/step Wall: 5167.26, 0.00314515/step, 2.9353 hours remaining, 238.863281 MB of memory in use. ENERGY: 1640200 4019.4302 20530.8174 14466.2789 263.5825 -202930.8818 2233.6807 0.0000 0.0000 52266.7968 -109150.2952 300.3780 -161417.0921 -108786.7574 299.7609 -416.1413 -385.8374 761603.9954 -5.8264 -5.5308 LDB: ============= START OF LOAD BALANCING ============== 5179.66 LDB: ============== END OF LOAD BALANCING =============== 5179.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5179.66 LDB: ============= START OF LOAD BALANCING ============== 5179.97 LDB: Largest compute 7034 load 0.032867 is 16.8% of average load 0.195872 LDB: Average compute 0.004374 is 2.2% of average load 0.195872 LDB: TIME 5179.98 LOAD: AVG 0.195872 MAX 0.22025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 5179.98 LOAD: AVG 0.195872 MAX 0.22025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: TIME 5179.98 LOAD: AVG 0.195872 MAX 0.22025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5179.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5179.98 PRESSURE: 1640400 48.3822 -97.3504 39.378 -97.3499 25.473 -89.534 39.3777 -89.5351 389.709 GPRESSURE: 1640400 134.364 -104.018 6.21833 -156.784 17.5303 -30.2415 159.246 -208.603 387.503 PRESSAVG: 1640400 8.20655 38.4612 -43.4575 38.4612 3.20736 23.5714 -43.4576 23.5714 -14.5441 GPRESSAVG: 1640400 7.1482 39.2263 -43.9206 37.559 4.16929 23.8691 -40.8151 23.4044 -14.7638 TIMING: 1640400 CPU: 5167.9, 0.00320713/step Wall: 5167.9, 0.00320713/step, 2.99297 hours remaining, 238.351562 MB of memory in use. ENERGY: 1640400 3961.3358 20624.2375 14511.1846 247.9858 -203456.4027 2682.5389 0.0000 0.0000 52328.9662 -109100.1538 300.7353 -161429.1201 -108733.6799 300.2616 154.5213 179.7991 760368.0957 -1.0434 -1.1488 PRESSURE: 1640600 -85.2937 -28.5171 5.96151 -28.5176 -145.604 -8.69013 5.96063 -8.68988 -247.836 GPRESSURE: 1640600 -59.4319 -17.3789 22.94 -41.3326 -110.939 -0.368518 -49.3831 9.53589 -236.017 PRESSAVG: 1640600 -12.4872 6.11111 -2.27733 6.11116 -12.223 -8.87602 -2.27729 -8.87605 -6.93516 GPRESSAVG: 1640600 -11.4682 3.51957 -1.75824 6.59601 -12.8835 -9.67619 -5.83406 -9.1899 -7.17613 TIMING: 1640600 CPU: 5168.53, 0.00313948/step Wall: 5168.53, 0.00313948/step, 2.92965 hours remaining, 238.554688 MB of memory in use. ENERGY: 1640600 3906.5945 20529.3234 14439.7398 244.8611 -202796.3441 2312.8618 0.0000 0.0000 52397.6876 -108965.2760 301.1302 -161362.9636 -108585.3622 300.3890 -159.5778 -135.4629 761871.5719 -10.5485 -10.5093 PRESSURE: 1640800 280.659 -206.928 5.42684 -206.928 78.0851 -119.428 5.42728 -119.426 -283.385 GPRESSURE: 1640800 313.396 -59.9052 23.8444 -233.084 58.2269 5.94889 -68.7223 -128.223 -223.103 PRESSAVG: 1640800 -26.8664 36.9864 -24.2699 36.9863 88.7589 51.6195 -24.2699 51.6195 31.6048 GPRESSAVG: 1640800 -27.223 39.6287 -24.6607 35.6473 88.9606 52.4054 -24.5615 50.705 31.1536 TIMING: 1640800 CPU: 5169.16, 0.00315173/step Wall: 5169.16, 0.00315173/step, 2.94091 hours remaining, 238.554688 MB of memory in use. ENERGY: 1640800 4023.2195 20530.2956 14431.3968 254.1763 -202882.0720 2347.3119 0.0000 0.0000 52194.0331 -109101.6389 299.9598 -161295.6720 -108745.6266 300.6381 25.1197 49.5065 760584.0287 31.1658 30.9637 PRESSURE: 1641000 -110.241 70.4306 -86.0046 70.4321 -239.072 8.64403 -86.0039 8.64372 80.7132 GPRESSURE: 1641000 -105.079 34.3704 -70.1121 81.5397 -130.36 5.5821 -76.0701 87.3105 37.7913 PRESSAVG: 1641000 -11.8211 6.31867 -15.0198 6.3187 1.9883 39.4232 -15.0198 39.4232 -13.6584 GPRESSAVG: 1641000 -12.8701 5.03518 -14.9634 8.49379 1.962 38.6544 -13.6718 39.6704 -12.407 TIMING: 1641000 CPU: 5169.78, 0.00312862/step Wall: 5169.78, 0.00312862/step, 2.91918 hours remaining, 238.554688 MB of memory in use. ENERGY: 1641000 3990.2723 20443.2198 14412.6091 249.7227 -202769.3451 2279.5566 0.0000 0.0000 52244.1343 -109149.8303 300.2478 -161393.9647 -108781.8966 299.9787 -89.5335 -65.8827 762135.8797 -7.8304 -7.7717 PRESSURE: 1641200 159.668 -12.0372 61.457 -12.0377 123.858 -137.717 61.4563 -137.718 222.756 GPRESSURE: 1641200 224.769 -48.6208 211.447 145.504 163.821 -215.503 -101.897 -180.425 207.732 PRESSAVG: 1641200 -25.9933 -15.5771 -62.3794 -15.5771 62.8438 13.7551 -62.3793 13.7552 -14.2277 GPRESSAVG: 1641200 -25.0269 -14.4963 -61.6611 -15.0086 62.9072 14.1135 -62.8678 13.0907 -14.2635 TIMING: 1641200 CPU: 5170.42, 0.0031642/step Wall: 5170.42, 0.0031642/step, 2.9522 hours remaining, 238.554688 MB of memory in use. ENERGY: 1641200 3963.4019 20658.5868 14510.4226 253.5623 -202955.7896 2138.4136 0.0000 0.0000 52425.2762 -109006.1262 301.2888 -161431.4025 -108635.5246 300.2719 168.7604 198.7742 760300.3230 7.5409 7.8723 PRESSURE: 1641400 18.5464 339.656 102.858 339.656 115.814 -178.965 102.857 -178.965 41.8201 GPRESSURE: 1641400 45.4445 325.034 33.8488 249.339 195.358 -94.756 59.9583 -42.5582 13.2444 PRESSAVG: 1641400 46.783 -35.3409 -6.16538 -35.3409 -65.5626 28.9104 -6.1654 28.9104 10.6717 GPRESSAVG: 1641400 46.5974 -35.7201 -5.985 -37.5804 -65.4259 29.0652 -4.80254 32.9938 10.2966 TIMING: 1641400 CPU: 5171.04, 0.00312582/step Wall: 5171.04, 0.00312582/step, 2.91622 hours remaining, 238.554688 MB of memory in use. ENERGY: 1641400 4003.1546 20502.0175 14468.2627 234.7068 -203075.0575 2585.0453 0.0000 0.0000 52539.8394 -108742.0311 301.9472 -161281.8706 -108377.4110 300.6815 58.7268 84.6822 761277.6274 -2.7026 -2.8440 PRESSURE: 1641600 143.456 -116.273 61.8691 -116.273 68.8305 232.148 61.8682 232.148 217.798 GPRESSURE: 1641600 121.58 -63.786 -30.0027 -164.206 201.456 96.9952 99.8677 259.9 200.552 PRESSAVG: 1641600 14.8423 14.0115 7.17159 14.0114 -23.6733 7.9882 7.1716 7.98824 4.04051 GPRESSAVG: 1641600 14.6572 14.3192 7.06846 13.6866 -23.8485 7.55773 7.33892 3.41434 4.33944 TIMING: 1641600 CPU: 5171.67, 0.00313996/step Wall: 5171.67, 0.00313996/step, 2.92924 hours remaining, 238.554688 MB of memory in use. ENERGY: 1641600 3939.7079 20637.2323 14539.4698 251.4703 -202735.3273 2115.2406 0.0000 0.0000 52165.8766 -109086.3298 299.7980 -161252.2064 -108719.4307 300.7055 143.3614 174.5292 760304.5113 -1.5968 -1.6173 PRESSURE: 1641800 -66.1499 109.615 40.015 109.614 -85.7975 -82.3328 40.0151 -82.3336 391.149 GPRESSURE: 1641800 14.9963 62.7659 45.6378 103.243 -45.885 -117.877 29.8957 -82.9878 357.546 PRESSAVG: 1641800 49.8613 12.7976 44.6526 12.7975 -43.7678 20.4658 44.6525 20.4658 20.8003 GPRESSAVG: 1641800 50.2959 13.1054 42.9962 14.4977 -43.4004 21.0254 46.4605 22.2395 20.009 TIMING: 1641800 CPU: 5172.3, 0.00316542/step Wall: 5172.3, 0.00316542/step, 2.95281 hours remaining, 238.554688 MB of memory in use. ENERGY: 1641800 4005.8443 20429.6294 14498.7946 253.0897 -203222.3203 2617.2928 0.0000 0.0000 52196.9337 -109220.7358 299.9765 -161417.6695 -108853.6569 299.8993 79.7337 108.8858 760039.4977 8.9646 8.9682 PRESSURE: 1642000 205.599 72.6492 -90.0176 72.6495 -136.337 -165.397 -90.018 -165.398 -141.952 GPRESSURE: 1642000 245.834 21.0133 -104.514 85.2744 -58.7783 -30.724 -165.184 -98.3917 -168.734 PRESSAVG: 1642000 16.0248 -32.9403 43.6768 -32.9404 -35.4377 16.036 43.6767 16.036 10.1018 GPRESSAVG: 1642000 14.1575 -33.4141 45.7489 -34.7994 -34.9472 17.3012 42.7564 14.512 11.5673 TIMING: 1642000 CPU: 5172.94, 0.00315977/step Wall: 5172.94, 0.00315977/step, 2.94737 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1642000 4030.1260 20680.3451 14410.2420 265.6933 -203413.7824 2579.0132 0.0000 0.0000 52158.9615 -109289.4014 299.7583 -161448.3629 -108928.6324 299.5011 -24.2300 6.1072 761292.6231 -3.1037 -3.0741 PRESSURE: 1642200 -76.1228 -278.456 198.164 -278.456 -245.595 -39.6666 198.165 -39.6666 301.339 GPRESSURE: 1642200 -114.397 -288.714 200.894 -319.399 -173.645 8.94196 23.665 -138.819 359.398 PRESSAVG: 1642200 7.31433 31.9928 17.8585 31.9928 -10.0883 51.937 17.8585 51.9371 -1.44358 GPRESSAVG: 1642200 7.5937 30.6915 15.7417 32.6781 -10.7354 52.0575 18.2078 51.8534 -1.37785 TIMING: 1642200 CPU: 5173.57, 0.00318059/step Wall: 5173.57, 0.00318059/step, 2.96661 hours remaining, 238.554688 MB of memory in use. ENERGY: 1642200 4042.9478 20426.2186 14495.6391 235.6187 -202597.9922 2253.6715 0.0000 0.0000 51915.1236 -109228.7729 298.3569 -161143.8965 -108865.4965 299.6944 -6.7930 23.7853 761599.1021 -1.4059 -1.5065 PRESSURE: 1642400 -107.384 9.38557 56.2257 9.38621 -291.113 168.953 56.2261 168.953 -767.854 GPRESSURE: 1642400 -101.91 -6.58602 -0.596384 53.2146 -301.503 275.17 2.9871 186.236 -672.236 PRESSAVG: 1642400 13.4279 0.790709 -31.6104 0.790741 -40.94 37.3374 -31.6105 37.3374 -5.09013 GPRESSAVG: 1642400 15.9025 1.86897 -32.2322 2.06269 -41.9248 36.9019 -33.0792 37.4384 -6.30768 TIMING: 1642400 CPU: 5174.2, 0.00315047/step Wall: 5174.2, 0.00315047/step, 2.93834 hours remaining, 238.554688 MB of memory in use. ENERGY: 1642400 4031.6926 20548.7392 14405.2517 244.8732 -203137.6019 2543.7904 0.0000 0.0000 52309.6091 -109053.6457 300.6240 -161363.2547 -108685.5679 300.1298 -388.7839 -358.5496 762121.2095 -10.8674 -10.7767 PRESSURE: 1642600 -64.2321 4.40786 82.7266 4.40809 45.1818 28.0854 82.7265 28.0858 -31.2984 GPRESSURE: 1642600 -69.7481 43.2636 48.4257 -59.1247 105.882 46.5975 41.7599 82.8183 -5.61467 PRESSAVG: 1642600 54.0388 4.19881 10.0197 4.19883 -10.1159 15.6597 10.0197 15.6597 -23.2252 GPRESSAVG: 1642600 52.188 4.61229 10.8856 4.4184 -9.54841 14.1896 10.4536 17.9776 -21.7872 TIMING: 1642600 CPU: 5174.83, 0.00315238/step Wall: 5174.83, 0.00315238/step, 2.93994 hours remaining, 238.554688 MB of memory in use. ENERGY: 1642600 3968.5834 20597.7938 14453.6044 256.4759 -203537.4723 2524.6698 0.0000 0.0000 52208.8598 -109527.4852 300.0450 -161736.3450 -109164.3787 300.0123 -16.7829 10.1731 759591.2649 6.8992 6.9508 PRESSURE: 1642800 -39.2739 -39.4226 8.70266 -39.4227 -61.8812 -4.29657 8.70318 -4.29648 89.1423 GPRESSURE: 1642800 88.9902 -38.1933 -3.94553 -73.2598 -145.174 46.3099 -50.6032 27.4581 112.601 PRESSAVG: 1642800 50.3233 55.0434 -53.8754 55.0433 -33.0117 -35.1666 -53.8755 -35.1667 -5.51286 GPRESSAVG: 1642800 51.4352 54.7715 -51.7876 53.3592 -33.5386 -34.3522 -53.8151 -37.2759 -6.47168 TIMING: 1642800 CPU: 5175.46, 0.00313777/step Wall: 5175.46, 0.00313777/step, 2.92615 hours remaining, 238.554688 MB of memory in use. ENERGY: 1642800 3912.9109 20489.4551 14478.8068 247.3564 -203181.2118 2479.7632 0.0000 0.0000 51895.3562 -109677.5632 298.2433 -161572.9194 -109318.5594 299.5451 -4.0043 18.8057 760246.5555 3.9329 3.8083 PRESSURE: 1643000 -365.602 -151.226 -53.0593 -151.227 -225.724 94.1204 -53.0585 94.1211 -450.049 GPRESSURE: 1643000 -309.639 -182.571 -48.91 -63.26 -192.364 75.5329 -36.8033 102.414 -449.039 PRESSAVG: 1643000 -53.429 27.4786 -4.2507 27.4786 17.8518 -13.2517 -4.25066 -13.2518 15.4376 GPRESSAVG: 1643000 -54.7135 30.4489 -4.32753 28.5325 19.4113 -13.0037 -4.18031 -14.0594 15.236 TIMING: 1643000 CPU: 5176.09, 0.00313957/step Wall: 5176.09, 0.00313957/step, 2.92765 hours remaining, 238.554688 MB of memory in use. ENERGY: 1643000 3993.8099 20474.1793 14411.4693 255.1496 -203378.2669 2511.9354 0.0000 0.0000 52234.5084 -109497.2151 300.1924 -161731.7235 -109136.3201 298.8275 -347.1251 -317.0141 761526.5114 -6.7132 -6.6887 PRESSURE: 1643200 186.386 -83.68 -35.7369 -83.6804 -32.6727 -163.868 -35.7359 -163.868 15.7654 GPRESSURE: 1643200 228.873 44.933 -62.8867 -100.384 9.61824 -179.545 -32.2644 -126.5 10.4032 PRESSAVG: 1643200 42.505 24.1439 -25.9343 24.1439 6.29068 -34.1969 -25.9343 -34.1969 5.54009 GPRESSAVG: 1643200 43.0863 22.8684 -25.9993 24.1994 5.75315 -34.5242 -26.6457 -33.2365 4.93491 TIMING: 1643200 CPU: 5176.72, 0.00314943/step Wall: 5176.72, 0.00314943/step, 2.93667 hours remaining, 238.554688 MB of memory in use. ENERGY: 1643200 3952.7152 20364.5185 14471.5021 244.7870 -203505.1046 2752.8889 0.0000 0.0000 52340.4935 -109378.1994 300.8015 -161718.6929 -109004.0983 299.6513 56.4929 82.9647 761081.4665 18.1119 17.9248 PRESSURE: 1643400 -110.51 -64.4558 139.246 -64.4571 116.945 28.5787 139.247 28.578 49.0595 GPRESSURE: 1643400 -37.1441 -103.916 133.15 -136.347 82.2913 25.1666 124.356 98.5939 78.9475 PRESSAVG: 1643400 20.9662 29.8017 6.60329 29.8016 12.7912 -48.9022 6.60323 -48.9023 -21.3829 GPRESSAVG: 1643400 20.353 31.186 6.06389 27.4991 12.7171 -47.6102 7.25357 -49.0847 -20.7896 TIMING: 1643400 CPU: 5177.35, 0.00316531/step Wall: 5177.35, 0.00316531/step, 2.9513 hours remaining, 238.554688 MB of memory in use. ENERGY: 1643400 3958.3299 20525.1638 14438.7421 233.2279 -203284.6433 2717.4913 0.0000 0.0000 52102.0753 -109309.6129 299.4313 -161411.6882 -108946.6387 299.9104 18.4983 41.3649 760921.1144 4.1248 4.0935 PRESSURE: 1643600 -52.8439 70.7473 -180.133 70.7479 133.471 -24.8902 -180.133 -24.8908 66.3594 GPRESSURE: 1643600 26.4068 63.3916 -167.744 44.2532 83.4777 -31.3508 -258.302 -50.4152 116.727 PRESSAVG: 1643600 9.02862 4.90233 -68.9964 4.90234 -2.51474 -41.8439 -68.9964 -41.8441 20.3635 GPRESSAVG: 1643600 10.6165 2.80702 -70.4378 6.10177 -3.72301 -41.8271 -67.0474 -44.0092 20.3323 TIMING: 1643600 CPU: 5177.98, 0.00313403/step Wall: 5177.98, 0.00313403/step, 2.92197 hours remaining, 238.554688 MB of memory in use. ENERGY: 1643600 3956.6986 20394.4263 14394.9349 238.5776 -203060.1859 2295.4225 0.0000 0.0000 52369.4039 -109410.7221 300.9677 -161780.1260 -109041.1970 299.2908 48.9955 75.5371 761206.0248 8.9591 9.0752 PRESSURE: 1643800 -191.202 6.2946 -217.593 6.29483 -240.236 170.774 -217.593 170.775 -133.542 GPRESSURE: 1643800 -93.6366 -17.2944 -186.942 75.5395 -220.637 100.246 -305.348 18.7751 -161.776 PRESSAVG: 1643800 38.3846 -17.9 30.3124 -17.8999 -17.4348 -6.80642 30.3123 -6.80648 25.7107 GPRESSAVG: 1643800 37.9708 -17.3452 31.9238 -17.8911 -16.7577 -6.88341 26.0804 -4.26929 25.2192 TIMING: 1643800 CPU: 5178.6, 0.00313655/step Wall: 5178.6, 0.00313655/step, 2.92414 hours remaining, 238.554688 MB of memory in use. ENERGY: 1643800 4008.6488 20435.3069 14393.8558 236.7558 -203556.6822 2681.3069 0.0000 0.0000 52409.3990 -109391.4090 301.1975 -161800.8081 -109032.1202 299.7338 -188.3266 -158.6834 763055.4227 15.5535 15.4775 PRESSURE: 1644000 -44.9897 -1.30823 102.605 -1.30884 -252.666 -4.53194 102.606 -4.5327 -226.703 GPRESSURE: 1644000 -91.0844 55.8328 75.4015 -44.7114 -185.46 -83.3766 45.3806 109.708 -163.537 PRESSAVG: 1644000 15.6408 58.614 -41.7405 58.614 -53.7171 13.304 -41.7406 13.3041 -5.62927 GPRESSAVG: 1644000 13.4943 58.6488 -42.1332 56.737 -52.847 15.034 -39.0984 11.8385 -4.23756 TIMING: 1644000 CPU: 5179.23, 0.00313964/step Wall: 5179.23, 0.00313964/step, 2.92684 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1644000 3942.5186 20712.5020 14459.8132 247.6965 -203440.9949 2658.2090 0.0000 0.0000 52154.5696 -109265.6860 299.7330 -161420.2556 -108903.4588 299.4566 -174.7863 -146.6937 761242.1289 -14.5685 -14.5301 PRESSURE: 1644200 -307.957 -20.3851 164.715 -20.3856 -129.943 -176.423 164.714 -176.425 -134.205 GPRESSURE: 1644200 -185.612 4.25363 108.069 -75.8325 -120.229 -210.392 168.671 -201.274 -154.979 PRESSAVG: 1644200 93.9355 -15.6626 1.62786 -15.6625 -79.1471 18.0474 1.62772 18.0472 2.17726 GPRESSAVG: 1644200 95.6244 -17.6273 1.47727 -12.3222 -78.8189 16.8556 1.80862 17.5626 0.874804 TIMING: 1644200 CPU: 5179.86, 0.00312787/step Wall: 5179.86, 0.00312787/step, 2.91569 hours remaining, 238.554688 MB of memory in use. ENERGY: 1644200 3913.8334 20611.5317 14468.7866 257.4296 -203171.5385 2364.6008 0.0000 0.0000 51863.7811 -109691.5752 298.0619 -161555.3563 -109332.6622 299.1532 -190.7019 -153.6067 761868.4865 5.6552 5.8934 LDB: ============= START OF LOAD BALANCING ============== 5192.26 LDB: ============== END OF LOAD BALANCING =============== 5192.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5192.26 LDB: ============= START OF LOAD BALANCING ============== 5192.58 LDB: Largest compute 7034 load 0.033579 is 17.1% of average load 0.195973 LDB: Average compute 0.004393 is 2.2% of average load 0.195973 LDB: TIME 5192.58 LOAD: AVG 0.195973 MAX 0.218161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 5192.58 LOAD: AVG 0.195973 MAX 0.218161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.043 MB LDB: TIME 5192.58 LOAD: AVG 0.195973 MAX 0.218161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5192.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5192.59 PRESSURE: 1644400 95.9834 -17.0737 -2.00293 -17.0736 316.363 69.3217 -2.00262 69.3219 -184.171 GPRESSURE: 1644400 145.002 107.376 -31.9819 -88.5182 327.14 44.9523 77.2229 -36.9176 -162.826 PRESSAVG: 1644400 -89.9557 -27.6237 -8.50751 -27.6238 100.397 -27.6622 -8.50758 -27.6623 -7.31794 GPRESSAVG: 1644400 -90.5056 -25.5281 -10.3342 -30.866 100.381 -29.5658 -6.83685 -28.4037 -6.2191 TIMING: 1644400 CPU: 5180.5, 0.00322617/step Wall: 5180.5, 0.00322617/step, 3.00715 hours remaining, 237.328125 MB of memory in use. ENERGY: 1644400 3917.1419 20484.0958 14438.7261 229.4536 -203483.1249 2748.8496 0.0000 0.0000 52056.4523 -109608.4057 299.1691 -161664.8580 -109241.4810 298.8625 76.0582 103.1056 761545.1562 1.0412 1.2186 PRESSURE: 1644600 -75.2754 259.883 -160.374 259.883 -354.427 52.4507 -160.375 52.451 -22.4676 GPRESSURE: 1644600 -39.7165 271.615 -145.296 196.04 -246.635 118.065 -103.446 71.438 -92.9219 PRESSAVG: 1644600 39.2647 1.94506 -10.4397 1.945 -22.5971 -10.5207 -10.4398 -10.5207 1.49731 GPRESSAVG: 1644600 39.5053 0.205371 -9.21326 4.06349 -22.2566 -8.51707 -12.2315 -7.94756 1.18594 TIMING: 1644600 CPU: 5181.14, 0.00316333/step Wall: 5181.14, 0.00316333/step, 2.9484 hours remaining, 237.328125 MB of memory in use. ENERGY: 1644600 4035.5578 20649.6327 14497.7489 234.1377 -203191.8468 2379.5456 0.0000 0.0000 51925.6621 -109469.5620 298.4175 -161395.2241 -109104.8767 299.0015 -150.7233 -126.4246 761645.0726 6.0550 6.1449 PRESSURE: 1644800 -86.5774 92.7727 60.8399 92.773 105.9 10.3081 60.8406 10.3086 -342.789 GPRESSURE: 1644800 -120.36 105.198 32.6994 77.2939 105.318 -39.617 128.45 10.7435 -230.643 PRESSAVG: 1644800 43.3941 34.4641 -1.58652 34.4641 -50.171 52.6778 -1.58647 52.6778 -27.9173 GPRESSAVG: 1644800 44.4364 35.3174 -1.26532 34.1726 -50.1008 53.2411 -2.15387 49.8894 -28.5241 TIMING: 1644800 CPU: 5181.76, 0.00314314/step Wall: 5181.76, 0.00314314/step, 2.92941 hours remaining, 237.328125 MB of memory in use. ENERGY: 1644800 3985.7876 20571.7058 14442.3450 245.6561 -202732.9884 2352.8166 0.0000 0.0000 51694.8893 -109439.7880 297.0912 -161134.6774 -109096.2465 299.3030 -107.8221 -81.8948 763014.4849 -11.5647 -11.3962 PRESSURE: 1645000 -462.339 -142.157 143.53 -142.157 214.358 131.912 143.53 131.913 -283.053 GPRESSURE: 1645000 -505.057 -85.9675 103.656 -201.242 215.753 81.3609 170.632 98.506 -151.481 PRESSAVG: 1645000 13.6617 14.8179 16.9792 14.8179 -37.1234 33.4324 16.9792 33.4324 8.62294 GPRESSAVG: 1645000 12.4417 17.3655 16.1629 14.6786 -37.1012 32.6384 18.2485 34.4575 9.65697 TIMING: 1645000 CPU: 5182.4, 0.00315528/step Wall: 5182.4, 0.00315528/step, 2.94055 hours remaining, 237.328125 MB of memory in use. ENERGY: 1645000 3996.3113 20521.8308 14456.3250 245.4743 -203258.0851 2446.3390 0.0000 0.0000 52274.2393 -109317.5655 300.4208 -161591.8048 -108950.6314 299.0791 -177.0114 -146.9281 761754.1491 -4.9462 -5.0008 PRESSURE: 1645200 312.315 26.3531 6.48546 26.3531 -63.1131 -16.0941 6.48649 -16.0939 84.0464 GPRESSURE: 1645200 330.277 6.91285 -1.06199 -37.9848 -11.3183 75.0656 52.9067 -83.9493 89.9973 PRESSAVG: 1645200 46.6602 -52.3839 -38.802 -52.3839 -25.9638 -4.12473 -38.802 -4.12471 -0.643287 GPRESSAVG: 1645200 47.353 -53.9473 -37.9056 -52.1997 -26.0428 -5.98516 -38.4702 -4.31041 -0.971273 TIMING: 1645200 CPU: 5183.02, 0.00312684/step Wall: 5183.02, 0.00312684/step, 2.91387 hours remaining, 237.328125 MB of memory in use. ENERGY: 1645200 4023.8564 20585.3045 14553.1719 237.2373 -203699.0208 2826.9655 0.0000 0.0000 52166.7927 -109305.6925 299.8033 -161472.4852 -108955.3269 299.8991 111.0829 136.3187 762586.4897 6.6844 6.7796 PRESSURE: 1645400 158.661 26.1277 216.622 26.1278 265.393 59.0812 216.622 59.0807 237.736 GPRESSURE: 1645400 122.647 -60.6378 217.919 52.7032 342.252 -33.2305 264.849 168.036 259.543 PRESSAVG: 1645400 69.7694 11.7329 18.7315 11.7329 -54.4509 16.5604 18.7314 16.5604 -3.60908 GPRESSAVG: 1645400 69.3918 11.6614 19.6507 12.2904 -54.6677 18.1676 15.7769 15.1345 -2.68507 TIMING: 1645400 CPU: 5183.65, 0.00315315/step Wall: 5183.65, 0.00315315/step, 2.93821 hours remaining, 237.328125 MB of memory in use. ENERGY: 1645400 4039.6473 20618.3625 14509.8532 231.6462 -203399.7538 2590.1951 0.0000 0.0000 52156.9504 -109253.0989 299.7467 -161410.0494 -108891.1478 299.7908 220.5966 241.4806 761842.4757 3.9031 4.0130 PRESSURE: 1645600 159.649 176.377 -47.3224 176.377 54.6197 96.3135 -47.3224 96.3138 -506.752 GPRESSURE: 1645600 107.861 199.082 65.9916 182.833 141.861 161.46 -78.3167 -64.704 -452.711 PRESSAVG: 1645600 13.3146 5.31883 -66.4647 5.31882 19.6235 1.77016 -66.4647 1.77017 34.1243 GPRESSAVG: 1645600 13.2421 5.66626 -67.7299 4.57102 18.6146 2.49113 -64.2942 1.62912 34.7966 TIMING: 1645600 CPU: 5184.28, 0.0031607/step Wall: 5184.28, 0.00316069/step, 2.94507 hours remaining, 237.328125 MB of memory in use. ENERGY: 1645600 4002.0835 20556.7958 14488.3184 246.9047 -203331.4600 2674.8298 0.0000 0.0000 52037.3478 -109325.1800 299.0594 -161362.5278 -108972.0643 299.7560 -97.4946 -67.6629 761259.7673 22.3542 22.2178 PRESSURE: 1645800 91.7856 69.8539 -220.684 69.8544 292.903 -64.9778 -220.685 -64.9776 240.456 GPRESSURE: 1645800 146.576 147.918 -227.522 -22.168 361.629 -20.2701 -131.907 -60.7423 208.985 PRESSAVG: 1645800 -38.8491 23.6015 -74.2075 23.6014 14.8138 -33.5046 -74.2075 -33.5046 -8.94234 GPRESSAVG: 1645800 -38.9166 22.7416 -72.8105 24.7442 15.8005 -33.466 -75.5929 -34.2249 -10.173 TIMING: 1645800 CPU: 5184.91, 0.00314206/step Wall: 5184.91, 0.00314206/step, 2.92753 hours remaining, 237.328125 MB of memory in use. ENERGY: 1645800 4060.2069 20459.2013 14465.2722 265.1854 -203458.6737 2797.8513 0.0000 0.0000 51982.5178 -109428.4388 298.7442 -161410.9566 -109070.3007 299.2508 208.3815 239.0633 759726.8765 -10.9925 -11.0964 PRESSURE: 1646000 76.3083 -72.7764 -88.6561 -72.7767 -179.386 88.6661 -88.6561 88.6662 18.886 GPRESSURE: 1646000 155.716 -52.7643 -92.6254 -72.7269 -140.35 188.068 -226.094 88.7092 17.0576 PRESSAVG: 1646000 -10.0108 4.23613 -82.779 4.23616 5.85693 -39.1018 -82.779 -39.1018 -3.38392 GPRESSAVG: 1646000 -10.5823 5.42767 -84.4441 3.57824 5.82807 -39.6524 -82.7424 -36.7857 -3.09109 TIMING: 1646000 CPU: 5185.54, 0.00313277/step Wall: 5185.54, 0.00313277/step, 2.9187 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1646000 4016.0931 20252.1629 14471.1647 255.4398 -202973.5880 2427.7143 0.0000 0.0000 52132.4400 -109418.5731 299.6058 -161551.0132 -109048.6515 299.0112 -28.0638 10.8078 760832.8509 -2.5126 -2.6151 PRESSURE: 1646200 115.08 -171.295 36.5214 -171.296 -31.3087 6.82421 36.5214 6.82371 -27.3629 GPRESSURE: 1646200 184.985 -118.721 27.28 -157.797 -17.683 71.8131 -5.43986 -112.024 6.27367 PRESSAVG: 1646200 15.3859 -8.82776 -61.2442 -8.82776 -12.2741 -21.2234 -61.2442 -21.2234 -11.7798 GPRESSAVG: 1646200 14.3484 -11.6546 -60.1424 -7.19564 -12.67 -21.1554 -60.204 -22.4183 -10.2891 TIMING: 1646200 CPU: 5186.17, 0.00314825/step Wall: 5186.17, 0.00314825/step, 2.93295 hours remaining, 237.328125 MB of memory in use. ENERGY: 1646200 3972.9838 20459.8305 14443.1615 239.5840 -203140.3621 2411.5160 0.0000 0.0000 52280.8153 -109332.4710 300.4586 -161613.2862 -108970.0714 299.9844 18.8028 57.8584 759954.5194 -2.8893 -2.8702 PRESSURE: 1646400 286.708 -73.1971 89.7856 -73.1965 -320.42 -53.0505 89.7868 -53.051 -364.39 GPRESSURE: 1646400 324.208 -2.97658 119.138 -32.62 -260.161 -128.553 -68.4661 -8.41815 -383.673 PRESSAVG: 1646400 35.2122 -42.4804 -38.5345 -42.4805 -20.3511 -15.7405 -38.5345 -15.7404 3.26288 GPRESSAVG: 1646400 35.1152 -40.977 -38.2276 -45.3416 -20.511 -17.2149 -41.3609 -13.9154 2.92225 TIMING: 1646400 CPU: 5186.8, 0.00315683/step Wall: 5186.8, 0.00315683/step, 2.94076 hours remaining, 237.328125 MB of memory in use. ENERGY: 1646400 3973.8431 20546.7249 14406.9951 249.4863 -203044.2934 2459.7388 0.0000 0.0000 52008.5452 -109398.9601 298.8938 -161407.5052 -109041.2054 299.5851 -132.7006 -106.5419 761748.2121 6.0413 5.8422 PRESSURE: 1646600 -23.6306 58.8035 -169.643 58.803 -118.122 -293.428 -169.642 -293.428 282.119 GPRESSURE: 1646600 -10.2778 33.5474 -200.861 -13.2528 -36.2687 -348.811 -143.567 -209.618 264.703 PRESSAVG: 1646600 84.5091 -5.54509 -24.3905 -5.54508 -63.8459 -2.89439 -24.3904 -2.89443 -8.11008 GPRESSAVG: 1646600 84.6598 -7.82853 -25.1794 -3.38248 -63.6803 -2.19631 -22.52 -4.11869 -8.47665 TIMING: 1646600 CPU: 5187.43, 0.00314138/step Wall: 5187.43, 0.00314138/step, 2.92619 hours remaining, 237.328125 MB of memory in use. ENERGY: 1646600 3946.0094 20509.7380 14476.4555 252.7477 -203159.5003 2414.3866 0.0000 0.0000 52136.1010 -109424.0622 299.6269 -161560.1632 -109065.7396 299.3825 46.7889 72.7190 761194.2123 4.1844 4.1676 PRESSURE: 1646800 95.8539 180.108 -41.172 180.107 -130.97 -29.9713 -41.1724 -29.9725 483.037 GPRESSURE: 1646800 108.386 192.995 -47.8698 243.249 -35.069 -6.92635 -145.152 -218.478 454.575 PRESSAVG: 1646800 49.4251 -28.7872 -26.8802 -28.7871 -79.2636 -49.5782 -26.8802 -49.5782 -12.9597 GPRESSAVG: 1646800 49.9449 -26.7731 -26.7781 -29.2443 -78.4967 -48.0526 -28.4153 -49.8517 -13.9797 TIMING: 1646800 CPU: 5188.06, 0.00314742/step Wall: 5188.06, 0.00314742/step, 2.93165 hours remaining, 237.328125 MB of memory in use. ENERGY: 1646800 3980.5307 20421.9326 14464.8183 243.7166 -203492.7399 2771.1456 0.0000 0.0000 52227.0803 -109383.5158 300.1497 -161610.5961 -109013.9386 299.7268 149.3069 175.9642 761051.8920 -14.2661 -14.1772 PRESSURE: 1647000 -29.8283 12.8358 149.228 12.8354 354.767 250.95 149.228 250.949 224.384 GPRESSURE: 1647000 53.2525 129.666 224.494 18.4811 388.292 152.787 184.229 187.231 222.997 PRESSAVG: 1647000 10.6528 44.4484 16.6485 44.4484 -8.34743 -11.1177 16.6483 -11.1178 -11.1788 GPRESSAVG: 1647000 11.1935 44.6292 15.1666 44.2378 -8.78167 -10.3728 17.8872 -11.4425 -11.0921 TIMING: 1647000 CPU: 5188.69, 0.00316525/step Wall: 5188.69, 0.00316525/step, 2.94808 hours remaining, 237.328125 MB of memory in use. ENERGY: 1647000 4014.5938 20466.1657 14539.2592 255.1655 -203402.2986 2543.1937 0.0000 0.0000 52064.8988 -109519.0218 299.2177 -161583.9206 -109167.5657 298.8703 183.1075 221.5140 760904.7483 -2.9578 -2.8934 PRESSURE: 1647200 -112.762 258.871 -45.6347 258.87 -197.177 -215.028 -45.6349 -215.028 7.68609 GPRESSURE: 1647200 -70.8533 227.137 -9.03557 72.0855 -86.2162 -268.941 -153.797 -145.396 -61.3303 PRESSAVG: 1647200 51.571 -22.8056 -28.1524 -22.8056 -44.8117 -5.51354 -28.1524 -5.51354 -5.40938 GPRESSAVG: 1647200 51.14 -22.3691 -26.9197 -21.7698 -44.7757 -5.08792 -28.2917 -5.34943 -4.63176 TIMING: 1647200 CPU: 5189.32, 0.00313648/step Wall: 5189.32, 0.00313648/step, 2.92111 hours remaining, 237.328125 MB of memory in use. ENERGY: 1647200 3956.5462 20601.0586 14404.8150 262.5957 -202887.2309 2153.0280 0.0000 0.0000 52104.1158 -109405.0716 299.4431 -161509.1874 -109035.1449 299.3168 -100.7512 -72.7999 761484.0554 0.4500 0.5775 PRESSURE: 1647400 -112.836 -220.682 -35.6493 -220.682 -146.449 -137.976 -35.6494 -137.976 -13.6275 GPRESSURE: 1647400 -154.427 -150.38 -44.2117 -229.471 -91.7161 -151.664 -53.413 -203.471 66.2956 PRESSAVG: 1647400 7.18731 -40.8073 -0.183613 -40.8073 0.47342 -53.0629 -0.183582 -53.0628 26.5142 GPRESSAVG: 1647400 5.31703 -41.9094 -0.539241 -41.7415 1.32131 -53.6808 -1.24946 -50.7718 26.9469 TIMING: 1647400 CPU: 5189.95, 0.00314082/step Wall: 5189.95, 0.00314082/step, 2.92498 hours remaining, 237.328125 MB of memory in use. ENERGY: 1647400 3970.4466 20421.4874 14444.2843 256.4524 -203238.9367 2418.9923 0.0000 0.0000 52205.6912 -109521.5826 300.0268 -161727.2738 -109156.0563 299.7089 -90.9709 -59.9492 760243.9178 11.3916 11.1951 PRESSURE: 1647600 23.173 79.0309 318.533 79.0309 361.489 -53.6329 318.533 -53.6323 306.907 GPRESSURE: 1647600 149.397 144.484 285.618 95.2154 322.961 -175.756 254.795 -161.09 315.231 PRESSAVG: 1647600 43.2281 -5.54607 11.402 -5.54607 -21.2269 -5.28929 11.402 -5.28927 11.8174 GPRESSAVG: 1647600 44.2839 -5.30087 11.4781 -5.47028 -21.9086 -6.13937 11.3853 -7.18155 11.5215 TIMING: 1647600 CPU: 5190.57, 0.00313812/step Wall: 5190.57, 0.00313812/step, 2.92229 hours remaining, 237.328125 MB of memory in use. ENERGY: 1647600 3945.5502 20642.4719 14352.5025 246.8138 -203936.9121 2830.2845 0.0000 0.0000 52351.1888 -109568.1003 300.8630 -161919.2891 -109209.4809 299.2351 230.5230 262.5293 760052.6068 11.2728 11.2989 PRESSURE: 1647800 250.895 56.0422 -176.695 56.0423 287.642 -83.7828 -176.695 -83.7817 258.328 GPRESSURE: 1647800 184.434 90.528 -203.68 9.42472 381.248 -96.85 -109.719 -27.843 294.785 PRESSAVG: 1647800 51.1048 -63.2486 -5.90807 -63.2485 -53.7333 -28.3144 -5.90804 -28.3144 -6.30725 GPRESSAVG: 1647800 51.697 -64.1469 -5.92881 -62.8753 -54.1521 -28.5573 -5.95298 -27.9645 -6.44613 TIMING: 1647800 CPU: 5191.21, 0.00316271/step Wall: 5191.21, 0.00316271/step, 2.94501 hours remaining, 237.328125 MB of memory in use. ENERGY: 1647800 4016.4827 20506.2168 14505.5850 261.1513 -203317.2105 2623.7604 0.0000 0.0000 51770.0199 -109633.9944 297.5230 -161404.0143 -109281.5772 299.3947 265.6218 286.8223 760689.6571 -2.9786 -2.9671 PRESSURE: 1648000 -462.36 6.24306 145.374 6.24304 72.933 -35.1665 145.375 -35.1667 -386.914 GPRESSURE: 1648000 -351.137 7.25265 100.086 14.1432 53.6468 -66.9621 160.572 78.3749 -388.152 PRESSAVG: 1648000 19.701 -24.3061 8.95929 -24.3061 10.7197 -55.9769 8.95929 -55.9769 10.4757 GPRESSAVG: 1648000 19.6886 -23.1371 8.70389 -24.639 11.5015 -55.5253 9.01334 -56.5249 9.91819 TIMING: 1648000 CPU: 5191.84, 0.00314996/step Wall: 5191.84, 0.00314996/step, 2.93297 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1648000 4021.9846 20620.7132 14467.9009 252.4992 -203777.6653 2586.4105 0.0000 0.0000 52070.5927 -109757.5643 299.2504 -161828.1570 -109409.4279 299.1106 -258.7802 -228.5474 760273.1986 13.6322 13.7027 PRESSURE: 1648200 -109.281 3.08913 125.777 3.08897 -379.677 -145.915 125.778 -145.916 -76.3432 GPRESSURE: 1648200 33.0225 48.9594 149.234 -56.7786 -393.01 -185.911 189.566 -17.9105 -114.36 PRESSAVG: 1648200 25.676 -14.3224 20.811 -14.3224 0.826077 -0.446758 20.811 -0.446718 -12.7744 GPRESSAVG: 1648200 25.1905 -16.4813 21.2956 -12.2575 -0.888305 -1.29111 19.2887 0.670333 -10.2488 TIMING: 1648200 CPU: 5192.46, 0.00314001/step Wall: 5192.46, 0.00314001/step, 2.92352 hours remaining, 237.328125 MB of memory in use. ENERGY: 1648200 3977.7548 20430.8092 14435.3549 265.7541 -203566.7454 2403.0748 0.0000 0.0000 52143.5881 -109910.4096 299.6699 -162053.9977 -109539.6749 299.2262 -188.4339 -158.1157 759761.8514 4.5759 4.6845 LDB: ============= START OF LOAD BALANCING ============== 5204.86 LDB: ============== END OF LOAD BALANCING =============== 5204.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5204.87 LDB: ============= START OF LOAD BALANCING ============== 5205.18 LDB: Largest compute 7034 load 0.033683 is 17.2% of average load 0.195992 LDB: Average compute 0.004398 is 2.2% of average load 0.195992 LDB: TIME 5205.18 LOAD: AVG 0.195992 MAX 0.223795 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 5205.18 LOAD: AVG 0.195992 MAX 0.223795 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: TIME 5205.18 LOAD: AVG 0.195992 MAX 0.223795 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5205.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5205.19 PRESSURE: 1648400 -234.705 -161.361 45.9141 -161.362 115.672 149.531 45.9139 149.53 -49.5004 GPRESSURE: 1648400 -132.727 -184.911 15.7544 -121.037 91.3697 90.5224 53.414 60.0151 -35.2892 PRESSAVG: 1648400 53.0833 -0.81769 39.7427 -0.817642 -40.8101 -22.5097 39.7427 -22.5097 -7.72777 GPRESSAVG: 1648400 54.1497 0.463568 37.6625 -1.99966 -40.222 -23.4551 43.1507 -23.22 -9.37238 TIMING: 1648400 CPU: 5193.11, 0.00321923/step Wall: 5193.11, 0.00321923/step, 2.9971 hours remaining, 237.328125 MB of memory in use. ENERGY: 1648400 4033.7110 20401.2120 14428.5358 242.1532 -203659.7435 2490.6336 0.0000 0.0000 52107.9835 -109955.5143 299.4653 -162063.4978 -109579.6882 298.9549 -56.1778 -25.5489 758573.1709 1.5151 1.5184 PRESSURE: 1648600 -145.462 53.3065 -118.845 53.3077 -108.57 0.675231 -118.845 0.676211 -363.439 GPRESSURE: 1648600 -168.79 120.919 -144.581 63.5593 -59.6674 -14.2173 -157.416 89.5992 -296.272 PRESSAVG: 1648600 -35.7726 -8.27803 0.343028 -8.27807 59.4591 -35.0229 0.342981 -35.0228 -11.2894 GPRESSAVG: 1648600 -36.7352 -8.38743 1.03152 -10.5493 59.5181 -33.3869 -1.63378 -35.6621 -10.4754 TIMING: 1648600 CPU: 5193.74, 0.00313841/step Wall: 5193.74, 0.00313841/step, 2.92169 hours remaining, 237.328125 MB of memory in use. ENERGY: 1648600 3937.4443 20630.8038 14386.4273 233.6434 -204009.9026 2668.1811 0.0000 0.0000 51931.0936 -110222.3092 298.4487 -162153.4028 -109867.9245 298.4791 -205.8238 -174.9096 760255.4275 4.1324 4.1025 PRESSURE: 1648800 -82.3819 -47.1552 0.113125 -47.1559 91.575 -152.863 0.113861 -152.864 154.878 GPRESSURE: 1648800 -82.2356 -34.7683 -35.0319 46.8974 196.135 -143.401 29.0869 -245.275 162.638 PRESSAVG: 1648800 -47.9374 -39.6677 6.10701 -39.6677 16.8562 -57.637 6.10694 -57.637 5.40107 GPRESSAVG: 1648800 -47.1425 -38.2905 5.15111 -36.8551 17.2979 -56.8257 8.45697 -57.5349 3.9625 TIMING: 1648800 CPU: 5194.36, 0.00311848/step Wall: 5194.36, 0.00311848/step, 2.90296 hours remaining, 237.328125 MB of memory in use. ENERGY: 1648800 3963.8923 20433.7178 14457.9014 241.4277 -203643.8316 2408.0419 0.0000 0.0000 51919.8326 -110219.0180 298.3840 -162138.8506 -109855.9732 298.0522 54.6904 92.1793 759098.3183 -8.5600 -8.6274 PRESSURE: 1649000 187.676 -140.293 -189.918 -140.293 -238.673 -212.231 -189.917 -212.231 -407.898 GPRESSURE: 1649000 123.772 -37.7811 -114.216 -163.14 -127.025 -166.839 -77.5644 -44.8128 -361.673 PRESSAVG: 1649000 -78.0182 -38.1417 38.5566 -38.1418 62.1955 -17.5699 38.5566 -17.5699 0.98292 GPRESSAVG: 1649000 -77.8616 -39.4122 40.7336 -39.6177 61.6191 -17.8448 37.2129 -15.3619 1.70655 TIMING: 1649000 CPU: 5194.99, 0.00313226/step Wall: 5194.99, 0.00313226/step, 2.91561 hours remaining, 237.328125 MB of memory in use. ENERGY: 1649000 3954.3164 20356.8389 14331.0228 236.3098 -203668.0116 2431.8393 0.0000 0.0000 51952.3994 -110405.2852 298.5712 -162357.6846 -110040.1051 297.4233 -152.9649 -121.6423 760807.3975 -4.9466 -4.8453 PRESSURE: 1649200 83.9526 -53.1131 185.855 -53.1129 -129.392 15.7498 185.856 15.7513 194.224 GPRESSURE: 1649200 61.6591 6.66526 116.169 -54.4318 -17.7561 23.7042 41.4011 74.6417 183.748 PRESSAVG: 1649200 -16.5988 -43.7936 -35.4372 -43.7936 27.848 -31.328 -35.4372 -31.3281 20.5602 GPRESSAVG: 1649200 -18.3493 -44.1782 -35.7942 -43.9432 27.4111 -32.1349 -36.2077 -31.8421 22.465 TIMING: 1649200 CPU: 5195.61, 0.00313233/step Wall: 5195.61, 0.00313233/step, 2.9155 hours remaining, 237.328125 MB of memory in use. ENERGY: 1649200 3990.6522 20549.1729 14453.6565 223.9356 -203421.0473 2248.5038 0.0000 0.0000 51817.6602 -110137.4659 297.7968 -161955.1261 -109773.1779 297.8436 49.5948 75.8837 760213.1183 10.6031 10.5089 PRESSURE: 1649400 185.195 -1.50997 -136.501 -1.5099 116.25 145.65 -136.501 145.649 274.023 GPRESSURE: 1649400 320.744 2.00447 -136.867 14.8038 96.7696 161.142 -107.361 170.129 248.47 PRESSAVG: 1649400 18.1472 -62.2063 69.0429 -62.2062 -22.9623 1.06698 69.0429 1.067 -39.2483 GPRESSAVG: 1649400 18.9667 -61.3369 68.2937 -61.2889 -22.6288 2.2282 70.3517 -2.45773 -40.1906 TIMING: 1649400 CPU: 5196.24, 0.00312999/step Wall: 5196.24, 0.00312999/step, 2.91315 hours remaining, 237.328125 MB of memory in use. ENERGY: 1649400 3954.5221 20312.7901 14440.2903 245.8199 -203896.7493 2747.0003 0.0000 0.0000 52116.3487 -110079.9779 299.5134 -162196.3266 -109720.9236 298.1080 191.8228 221.9945 759929.5472 -14.6878 -14.6176 PRESSURE: 1649600 167.015 -99.7817 -12.8357 -99.7819 16.6014 -206.531 -12.8356 -206.53 -345.376 GPRESSURE: 1649600 155.466 -47.8432 77.7281 -4.26332 -25.7838 -187.064 47.2625 -104.705 -213.983 PRESSAVG: 1649600 -44.0576 -57.4366 74.8536 -57.4366 38.5643 -43.424 74.8537 -43.424 5.73952 GPRESSAVG: 1649600 -44.7164 -59.6501 75.0778 -56.6306 39.5555 -43.4984 74.4381 -41.8548 5.74963 TIMING: 1649600 CPU: 5196.87, 0.00313784/step Wall: 5196.87, 0.00313784/step, 2.92028 hours remaining, 237.328125 MB of memory in use. ENERGY: 1649600 3903.6154 20369.6602 14501.7114 240.6485 -203755.2302 2468.2247 0.0000 0.0000 52191.7027 -110079.6673 299.9464 -162271.3700 -109718.4570 297.9616 -53.9198 -28.1002 759746.0191 0.0821 0.1962 PRESSURE: 1649800 -53.3689 -147.338 169.038 -147.338 236.845 59.6657 169.038 59.6662 -51.1592 GPRESSURE: 1649800 45.4547 -41.0513 233.144 -122.309 232.119 52.8957 228.584 -62.2398 -57.4874 PRESSAVG: 1649800 -16.6074 -84.413 45.8757 -84.413 -30.4177 27.5242 45.8757 27.5243 -14.3958 GPRESSAVG: 1649800 -16.5465 -83.5247 46.2324 -83.6558 -31.3477 25.6006 44.9545 27.1423 -13.3678 TIMING: 1649800 CPU: 5197.49, 0.00313547/step Wall: 5197.49, 0.00313547/step, 2.9179 hours remaining, 237.328125 MB of memory in use. ENERGY: 1649800 3957.0306 20493.5009 14441.8551 267.2490 -202858.1639 2223.8033 0.0000 0.0000 51715.3506 -109759.3744 297.2088 -161474.7250 -109401.5177 298.0828 44.1055 73.3620 760861.0629 -20.4736 -20.4207 PRESSURE: 1650000 -284.831 218.864 -55.5474 218.864 185.829 -82.2488 -55.5471 -82.2491 -30.6586 GPRESSURE: 1650000 -238.017 183.225 -31.0314 216.853 194.824 -146.908 -96.6254 -73.8954 1.8675 PRESSAVG: 1650000 -81.8771 6.22816 20.9298 6.22816 62.0728 -12.1914 20.9299 -12.1914 -1.04697 GPRESSAVG: 1650000 -80.681 7.60248 21.2739 5.18492 62.0954 -11.648 21.1725 -10.5702 -1.82853 TIMING: 1650000 CPU: 5198.12, 0.00315502/step Wall: 5198.12, 0.00315502/step, 2.93592 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1650000 3960.9644 20378.0716 14481.0666 241.4590 -202908.4548 2343.6448 0.0000 0.0000 52054.2640 -109448.9845 299.1566 -161503.2485 -109085.7697 298.7979 -43.2204 -13.7750 762406.9161 -6.9504 -6.8047 PRESSURE: 1650200 -143.047 107.132 115.763 107.133 -217.129 -106.567 115.764 -106.568 -364.617 GPRESSURE: 1650200 -251.606 71.8532 120.662 35.71 -79.9176 -103.381 19.2212 -25.4912 -299.222 PRESSAVG: 1650200 -27.4223 -0.880643 57.9357 -0.880683 54.3346 -16.4574 57.9358 -16.4574 10.8022 GPRESSAVG: 1650200 -28.234 -2.08385 56.4952 -2.02721 54.745 -15.8754 59.4448 -15.2861 10.969 TIMING: 1650200 CPU: 5198.75, 0.0031454/step Wall: 5198.75, 0.0031454/step, 2.9268 hours remaining, 237.328125 MB of memory in use. ENERGY: 1650200 3984.1855 20425.8833 14453.4009 238.7507 -203305.2299 2539.2083 0.0000 0.0000 52132.8537 -109530.9476 299.6082 -161663.8012 -109164.3436 299.1006 -241.5977 -210.2483 761394.1489 12.5715 12.4933 PRESSURE: 1650400 -131.395 -120.205 37.8397 -120.206 -171.963 27.3078 37.8401 27.3082 316.594 GPRESSURE: 1650400 -73.4957 -235.87 87.5314 10.4279 -80.6235 -24.2375 15.407 164.799 279.281 PRESSAVG: 1650400 -32.1217 -49.0759 7.33085 -49.0759 39.0799 -22.9399 7.33086 -22.9399 -0.659165 GPRESSAVG: 1650400 -31.8873 -48.8698 8.36933 -47.1332 39.3634 -23.9416 5.01575 -22.1846 -1.36697 TIMING: 1650400 CPU: 5199.38, 0.00314008/step Wall: 5199.38, 0.00314008/step, 2.92167 hours remaining, 237.328125 MB of memory in use. ENERGY: 1650400 3916.1986 20358.9984 14494.2243 262.2474 -203261.9393 2504.3015 0.0000 0.0000 52254.5244 -109471.4447 300.3075 -161725.9691 -109101.9909 299.3447 4.4122 41.7205 760701.1220 2.0997 2.0364 PRESSURE: 1650600 -266.27 138.111 36.2948 138.111 -258.655 65.1632 36.2948 65.1639 -151.325 GPRESSURE: 1650600 -201.151 123.692 -16.996 47.0828 -284.685 66.0971 33.9962 59.3645 -112.199 PRESSAVG: 1650600 -25.8096 -38.4811 9.88243 -38.4811 38.3484 14.7646 9.8824 14.7646 4.92846 GPRESSAVG: 1650600 -25.3144 -40.5033 6.79195 -38.4461 37.2684 15.5749 11.0315 13.3275 5.14191 TIMING: 1650600 CPU: 5200.01, 0.00314947/step Wall: 5200.01, 0.00314947/step, 2.93024 hours remaining, 237.328125 MB of memory in use. ENERGY: 1650600 4057.4031 20558.9156 14479.7063 260.8505 -203298.7415 2412.2943 0.0000 0.0000 51917.7550 -109611.8168 298.3721 -161529.5718 -109262.6429 299.7789 -225.4166 -199.3449 760188.8870 5.8224 5.6986 PRESSURE: 1650800 110.539 -107.236 241.747 -107.236 -466.248 -167.135 241.748 -167.134 -308.104 GPRESSURE: 1650800 99.1903 -129.82 246.573 -232.708 -411.499 -96.3568 243.747 -257.041 -270.736 PRESSAVG: 1650800 31.7103 -40.8701 3.41872 -40.8701 -39.7803 9.78571 3.41871 9.78565 -8.84948 GPRESSAVG: 1650800 31.3927 -38.7347 6.96668 -42.4916 -40.4591 11.0254 1.97611 8.24929 -8.05775 TIMING: 1650800 CPU: 5200.64, 0.00313864/step Wall: 5200.64, 0.00313864/step, 2.91999 hours remaining, 237.328125 MB of memory in use. ENERGY: 1650800 4075.7687 20556.4852 14456.7650 231.6399 -203386.5544 2535.9549 0.0000 0.0000 51831.9179 -109698.0230 297.8787 -161529.9408 -109334.2549 299.3535 -221.2710 -194.3481 760600.6883 -5.6398 -5.7080 PRESSURE: 1651000 171.917 70.2517 -49.4626 70.2512 67.5101 178.374 -49.4625 178.374 135.618 GPRESSURE: 1651000 228.702 66.5391 -50.3676 -40.146 42.7363 183.65 12.8792 201.518 183.36 PRESSAVG: 1651000 60.8424 -13.3752 22.1957 -13.3752 -79.6486 39.3801 22.1958 39.3802 13.5463 GPRESSAVG: 1651000 60.1418 -12.7098 22.1928 -13.3213 -79.1612 37.7968 22.2994 39.6299 12.8818 TIMING: 1651000 CPU: 5201.27, 0.00314665/step Wall: 5201.27, 0.00314665/step, 2.92726 hours remaining, 237.328125 MB of memory in use. ENERGY: 1651000 3991.6216 20389.6777 14378.1420 243.2155 -203156.6323 2221.2662 0.0000 0.0000 52184.8311 -109747.8780 299.9069 -161932.7092 -109389.1694 298.7546 125.0151 151.5995 760776.5476 -1.7533 -2.0459 PRESSURE: 1651200 -204.999 -206.511 -103.08 -206.51 104.642 -70.5671 -103.079 -70.5659 -240.662 GPRESSURE: 1651200 -58.9686 -133.056 -104.321 -178.747 41.1618 -45.2632 -8.61857 43.6607 -233.026 PRESSAVG: 1651200 16.5199 -6.99623 16.9353 -6.99628 -70.421 -13.3035 16.9353 -13.3035 -2.31697 GPRESSAVG: 1651200 17.2084 -7.06769 16.4965 -7.23641 -71.785 -11.9656 18.9434 -11.4275 -2.48345 TIMING: 1651200 CPU: 5201.9, 0.00314111/step Wall: 5201.9, 0.00314111/step, 2.92193 hours remaining, 237.328125 MB of memory in use. ENERGY: 1651200 4009.9899 20507.7140 14431.0092 274.8561 -203351.0805 2456.0080 0.0000 0.0000 51940.0749 -109731.4284 298.5003 -161671.5033 -109366.8759 299.0143 -113.6730 -83.6110 760756.5942 -18.7393 -19.0200 PRESSURE: 1651400 -288.173 -196.605 218.801 -196.604 202.643 -53.3541 218.801 -53.3544 -134.576 GPRESSURE: 1651400 -219.042 -85.1698 117.377 -170.902 206.983 10.4601 188.357 11.2017 -103.284 PRESSAVG: 1651400 -39.1584 -32.297 29.5895 -32.2971 -35.1462 2.53372 29.5895 2.53375 -1.30175 GPRESSAVG: 1651400 -37.7046 -32.8098 27.9373 -29.5839 -34.2135 2.54524 29.4739 2.55663 -3.70678 TIMING: 1651400 CPU: 5202.53, 0.00315878/step Wall: 5202.53, 0.00315878/step, 2.93819 hours remaining, 237.328125 MB of memory in use. ENERGY: 1651400 3913.5127 20407.3559 14406.4844 260.7118 -203216.2742 2392.5557 0.0000 0.0000 52038.1094 -109797.5443 299.0637 -161835.6537 -109433.2601 298.4967 -73.3685 -38.4475 760589.3920 -25.2021 -25.2083 PRESSURE: 1651600 -82.6256 -67.7328 163.419 -67.732 -270.78 -233.774 163.419 -233.774 -119.051 GPRESSURE: 1651600 -143.752 -97.1659 150.262 -84.3609 -125.374 -228.377 77.0447 -118.336 -123.587 PRESSAVG: 1651600 22.9484 -3.4844 17.2619 -3.48438 -15.0346 7.96285 17.2619 7.96295 -4.5743 GPRESSAVG: 1651600 20.7046 -3.87383 17.4518 -6.12083 -14.6113 6.91837 17.3661 7.889 -3.20173 TIMING: 1651600 CPU: 5203.16, 0.00316229/step Wall: 5203.16, 0.00316229/step, 2.94128 hours remaining, 237.328125 MB of memory in use. ENERGY: 1651600 4075.4703 20386.8309 14466.1676 236.7118 -203272.4558 2405.7527 0.0000 0.0000 51954.0205 -109747.5020 298.5805 -161701.5225 -109378.7533 298.4767 -157.4853 -130.9043 762069.3734 1.1132 0.9639 PRESSURE: 1651800 153.83 134.007 -278.824 134.008 70.5996 105.664 -278.825 105.664 -130.994 GPRESSURE: 1651800 164.778 95.8866 -334.776 20.2491 28.2392 26.3521 -212.568 21.3731 -32.8265 PRESSAVG: 1651800 14.7566 16.9307 -17.4411 16.9307 -33.3215 18.9654 -17.441 18.9654 15.3132 GPRESSAVG: 1651800 15.0076 17.1926 -17.9426 17.6245 -34.7405 18.853 -18.4481 20.5523 16.2379 TIMING: 1651800 CPU: 5203.79, 0.00315719/step Wall: 5203.79, 0.00315718/step, 2.93636 hours remaining, 237.328125 MB of memory in use. ENERGY: 1651800 4038.8150 20491.6912 14414.9120 224.7098 -203934.3397 3027.7576 0.0000 0.0000 52009.3132 -109727.1410 298.8982 -161736.4542 -109374.1803 299.0615 31.1453 53.3968 760411.8259 -1.0839 -1.1650 PRESSURE: 1652000 -32.2592 16.1491 -82.9704 16.1495 28.5536 132.744 -82.9711 132.744 64.0786 GPRESSURE: 1652000 60.7308 51.8524 -26.7647 74.026 121.845 156.645 -48.2303 100.361 -18.5617 PRESSAVG: 1652000 0.711304 -0.214722 -23.6442 -0.214791 26.6983 33.0465 -23.6442 33.0464 -7.67882 GPRESSAVG: 1652000 1.13434 -1.82934 -23.3285 1.73012 27.1146 34.0205 -22.4265 30.9498 -8.41304 TIMING: 1652000 CPU: 5204.42, 0.00313646/step Wall: 5204.42, 0.00313646/step, 2.91691 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1652000 3963.3829 20518.0080 14384.8423 252.1677 -203539.7103 2578.5139 0.0000 0.0000 51960.4082 -109882.3873 298.6172 -161842.7955 -109520.6422 298.7894 20.1243 54.6713 759404.3757 6.5769 6.6120 PRESSURE: 1652200 72.5935 71.1477 48.3235 71.148 245.623 -158.211 48.3237 -158.21 18.7539 GPRESSURE: 1652200 133.069 36.0383 12.9182 -9.84291 258.39 -146.408 25.2865 -75.7085 42.4233 PRESSAVG: 1652200 64.4873 6.01099 -28.5299 6.01101 -29.0006 25.1414 -28.5299 25.1413 16.1775 GPRESSAVG: 1652200 64.3715 8.98773 -27.4971 4.04358 -28.7736 23.2617 -28.4232 26.1491 16.0213 TIMING: 1652200 CPU: 5205.05, 0.00314858/step Wall: 5205.05, 0.00314858/step, 2.928 hours remaining, 237.328125 MB of memory in use. ENERGY: 1652200 3969.5106 20542.9532 14394.9305 246.5072 -203248.6923 2544.8343 0.0000 0.0000 51827.6006 -109722.3559 297.8539 -161549.9565 -109365.7994 299.1189 112.3236 144.6276 759637.1951 17.2214 17.2064 LDB: ============= START OF LOAD BALANCING ============== 5217.45 LDB: ============== END OF LOAD BALANCING =============== 5217.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5217.45 LDB: ============= START OF LOAD BALANCING ============== 5217.77 LDB: Largest compute 7034 load 0.032739 is 16.7% of average load 0.195897 LDB: Average compute 0.004386 is 2.2% of average load 0.195897 LDB: TIME 5217.77 LOAD: AVG 0.195897 MAX 0.21645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 5217.77 LOAD: AVG 0.195897 MAX 0.21645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.445 MB LDB: TIME 5217.77 LOAD: AVG 0.195897 MAX 0.21645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.445 MB LDB: ============== END OF LOAD BALANCING =============== 5217.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5217.78 PRESSURE: 1652400 -127.611 228.272 -259.289 228.272 -381.149 182.219 -259.288 182.219 -100.993 GPRESSURE: 1652400 -187.959 164.238 -273.764 154.428 -280.461 147.854 -199.25 -8.28823 -54.9353 PRESSAVG: 1652400 43.1972 -31.7893 15.7011 -31.7893 -28.655 -22.3763 15.7012 -22.3763 34.9621 GPRESSAVG: 1652400 42.1989 -33.904 14.9694 -28.8618 -29.1512 -21.0445 16.3772 -23.1934 35.6966 TIMING: 1652400 CPU: 5205.69, 0.00322388/step Wall: 5205.69, 0.00322388/step, 2.99785 hours remaining, 239.378906 MB of memory in use. ENERGY: 1652400 3994.8701 20595.7728 14503.9238 264.8715 -203687.5030 2613.8383 0.0000 0.0000 51854.0070 -109860.2195 298.0057 -161714.2265 -109505.9011 299.0236 -203.2511 -174.4516 760995.1784 16.5014 16.2481 PRESSURE: 1652600 123.536 -22.6876 129.212 -22.688 -188.995 -10.3182 129.211 -10.3169 15.6276 GPRESSURE: 1652600 55.6717 -1.63276 104.652 56.6233 -79.3748 -0.112106 151.528 -46.6148 66.9609 PRESSAVG: 1652600 -1.1604 -16.2642 9.42359 -16.2642 -8.18811 8.94101 9.42357 8.94103 -15.0163 GPRESSAVG: 1652600 -1.655 -15.8621 12.2292 -17.3711 -8.52216 8.70504 7.46316 7.19968 -14.2191 TIMING: 1652600 CPU: 5206.33, 0.00316979/step Wall: 5206.33, 0.00316979/step, 2.94737 hours remaining, 239.445312 MB of memory in use. ENERGY: 1652600 3978.5724 20511.2025 14415.1720 255.4701 -203781.9268 2590.1769 0.0000 0.0000 52252.8409 -109778.4919 300.2978 -162031.3328 -109424.0688 298.9296 -16.6107 14.4192 760481.3412 -8.1216 -8.1321 PRESSURE: 1652800 43.907 133.839 11.4669 133.839 -100.561 -28.623 11.4673 -28.6232 -28.9082 GPRESSURE: 1652800 46.0536 105.934 113.183 119.207 -21.7221 -149.236 61.6396 101.616 -42.3895 PRESSAVG: 1652800 28.7855 -61.128 27.2094 -61.128 -17.3714 13.4748 27.2093 13.4748 3.00409 GPRESSAVG: 1652800 30.6156 -60.1078 25.9098 -60.8335 -17.0514 13.2933 28.082 16.5897 0.664168 TIMING: 1652800 CPU: 5206.96, 0.00316353/step Wall: 5206.96, 0.00316353/step, 2.94138 hours remaining, 239.445312 MB of memory in use. ENERGY: 1652800 3926.8793 20368.5762 14401.7527 237.1542 -203547.4826 2635.2999 0.0000 0.0000 52170.6219 -109807.1984 299.8253 -161977.8202 -109441.8678 298.8097 -28.5207 -6.0193 759542.0984 4.8061 4.7428 PRESSURE: 1653000 87.3966 -13.2551 -173.789 -13.2555 -19.3415 144.583 -173.789 144.583 -39.9168 GPRESSURE: 1653000 93.3452 -8.27598 -198.495 -43.4871 16.0246 67.3177 -104.75 104.828 2.40785 PRESSAVG: 1653000 31.7648 -22.4635 -40.1472 -22.4635 -19.2793 40.9417 -40.1473 40.9416 -15.1404 GPRESSAVG: 1653000 30.5097 -23.7382 -39.3802 -23.1772 -20.3084 41.6165 -41.5828 39.5835 -13.3245 TIMING: 1653000 CPU: 5207.59, 0.00314971/step Wall: 5207.59, 0.00314971/step, 2.92836 hours remaining, 239.445312 MB of memory in use. ENERGY: 1653000 4035.9273 20576.6373 14360.9200 233.1842 -203770.6007 2803.0253 0.0000 0.0000 51981.2736 -109779.6330 298.7371 -161760.9067 -109428.3747 298.9031 9.3794 37.2592 760548.0196 -0.8850 -1.0411 PRESSURE: 1653200 -303.964 -87.4179 -214.159 -87.4179 -55.6604 131.943 -214.159 131.942 -118.208 GPRESSURE: 1653200 -241.719 -157.963 -219.907 -94.0478 -3.35695 64.3373 -226.888 130.795 -136.061 PRESSAVG: 1653200 17.9453 -54.2723 -14.3216 -54.2724 -21.1242 15.5104 -14.3216 15.5104 18.1077 GPRESSAVG: 1653200 19.0798 -54.5535 -14.7152 -54.4236 -20.1083 13.4477 -12.6619 14.2084 16.2465 TIMING: 1653200 CPU: 5208.22, 0.00316415/step Wall: 5208.22, 0.00316415/step, 2.9416 hours remaining, 239.445312 MB of memory in use. ENERGY: 1653200 4046.8495 20458.0558 14380.8734 251.6369 -203479.0961 2334.4491 0.0000 0.0000 52028.0943 -109979.1372 299.0062 -162007.2315 -109620.6728 298.9022 -159.2778 -127.0456 759486.1354 4.9762 5.0727 PRESSURE: 1653400 97.4291 -72.8007 36.564 -72.7995 132.077 9.13375 36.5642 9.13344 74.0034 GPRESSURE: 1653400 165.264 -146.286 23.1848 -75.1546 200.469 -80.955 121.153 157.607 18.0202 PRESSAVG: 1653400 -15.0611 -26.2727 -18.3802 -26.2727 -2.57943 34.4967 -18.3803 34.4967 25.4966 GPRESSAVG: 1653400 -15.4876 -26.5075 -19.1973 -27.1929 -2.235 36.5606 -19.2176 36.4602 25.4563 TIMING: 1653400 CPU: 5208.85, 0.0031523/step Wall: 5208.85, 0.0031523/step, 2.93041 hours remaining, 239.445312 MB of memory in use. ENERGY: 1653400 3917.2997 20512.5407 14395.9549 259.5186 -203487.0664 2441.1911 0.0000 0.0000 51925.4803 -110035.0812 298.4164 -161960.5615 -109661.0804 298.3719 101.1699 127.9177 758912.4438 2.6187 2.5779 PRESSURE: 1653600 -131.358 136.997 114.883 136.997 -352.809 84.9195 114.883 84.9193 154.081 GPRESSURE: 1653600 -161.233 9.73022 152.97 213.551 -290.185 149.286 67.1521 -26.822 192.453 PRESSAVG: 1653600 44.0736 -23.1494 21.2108 -23.1494 -45.8399 -26.2037 21.2108 -26.2037 18.9687 GPRESSAVG: 1653600 43.9174 -23.1786 22.2624 -23.1166 -46.0956 -24.9211 21.2189 -27.0798 18.543 TIMING: 1653600 CPU: 5209.48, 0.00315068/step Wall: 5209.48, 0.00315068/step, 2.92873 hours remaining, 239.445312 MB of memory in use. ENERGY: 1653600 3969.5232 20545.8171 14447.5189 242.7412 -203305.7507 2378.7566 0.0000 0.0000 51911.0413 -109810.3525 298.3335 -161721.3937 -109443.1151 298.2207 -110.0284 -86.3214 762119.8756 5.7341 5.4549 PRESSURE: 1653800 334.613 31.9372 114.139 31.9371 41.8537 234.372 114.14 234.372 163.567 GPRESSURE: 1653800 382.227 40.8748 173.248 37.0009 47.1293 171.355 18.5157 113.272 194.253 PRESSAVG: 1653800 19.4045 -27.0567 -0.110498 -27.0566 -29.6131 -31.3575 -0.110493 -31.3576 2.65536 GPRESSAVG: 1653800 19.0155 -27.0861 -1.18614 -26.7353 -30.5091 -31.1028 0.0771156 -35.2419 4.15672 TIMING: 1653800 CPU: 5210.12, 0.00316631/step Wall: 5210.12, 0.00316631/step, 2.94308 hours remaining, 239.445312 MB of memory in use. ENERGY: 1653800 4052.9525 20557.4692 14410.4483 244.3010 -204076.5389 3017.7877 0.0000 0.0000 52003.5257 -109790.0546 298.8650 -161793.5803 -109435.1683 298.5301 180.0112 207.8697 761801.2029 -2.5177 -2.4456 PRESSURE: 1654000 -432.335 120.437 124.399 120.436 10.2591 -187.409 124.4 -187.41 -215.316 GPRESSURE: 1654000 -427.525 98.0148 30.8034 88.0765 50.9172 -197.151 144.911 -142.639 -181.955 PRESSAVG: 1654000 10.8667 28.4773 71.4158 28.4774 43.7048 20.6483 71.4158 20.6483 -11.39 GPRESSAVG: 1654000 9.80795 27.8324 72.1828 29.4222 44.1948 18.6765 71.747 26.1041 -11.0349 TIMING: 1654000 CPU: 5210.75, 0.00314968/step Wall: 5210.75, 0.00314968/step, 2.92745 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1654000 4012.5249 20442.0947 14447.2618 247.9819 -203566.0687 2371.7559 0.0000 0.0000 52305.0500 -109739.3995 300.5978 -162044.4496 -109379.2298 299.0006 -212.4638 -186.1875 761004.1540 14.3939 14.3226 PRESSURE: 1654200 171.315 221.027 -32.7226 221.028 -119.674 -161.442 -32.7218 -161.443 208.796 GPRESSURE: 1654200 283.481 172.098 -101.847 136.256 -76.5409 -125.476 -38.7442 -156.327 136.17 PRESSAVG: 1654200 44.9823 62.361 33.421 62.3609 -15.5254 43.7825 33.4211 43.7823 -14.2341 GPRESSAVG: 1654200 47.1355 62.4566 33.6706 61.8375 -16.637 45.2213 31.8491 39.6605 -15.3026 TIMING: 1654200 CPU: 5211.38, 0.00315521/step Wall: 5211.38, 0.00315521/step, 2.93241 hours remaining, 239.445312 MB of memory in use. ENERGY: 1654200 3975.4733 20447.0416 14481.7322 254.3401 -203683.5040 2638.5798 0.0000 0.0000 52085.4261 -109800.9109 299.3357 -161886.3370 -109429.5105 298.8943 86.8122 114.3700 760865.6539 5.0743 5.0653 PRESSURE: 1654400 -311.214 56.5047 -137.854 56.5047 -431.111 26.4915 -137.854 26.4926 -28.0635 GPRESSURE: 1654400 -231.249 -130.496 -114.96 45.5026 -358.883 25.5818 -205.001 -104.986 -93.0639 PRESSAVG: 1654400 -19.1692 -27.2159 -11.6299 -27.2159 24.0271 55.9733 -11.6298 55.9734 -0.560236 GPRESSAVG: 1654400 -19.989 -27.3413 -10.7153 -27.9403 24.4852 54.2804 -10.7971 58.2294 -0.416194 TIMING: 1654400 CPU: 5212, 0.00312936/step Wall: 5212, 0.00312936/step, 2.90822 hours remaining, 239.445312 MB of memory in use. ENERGY: 1654400 3973.4621 20523.2852 14455.3945 240.2758 -203859.8838 2790.9833 0.0000 0.0000 51889.5219 -109986.9611 298.2098 -161876.4830 -109631.7775 299.2098 -256.7961 -227.7319 761842.0164 1.4325 1.3600 PRESSURE: 1654600 29.6789 -0.298741 36.4246 -0.29947 -462.915 5.31171 36.4246 5.31157 -49.5782 GPRESSURE: 1654600 8.64567 9.40932 -23.5596 -36.1563 -312.768 19.3252 -67.5919 -201.25 -86.4689 PRESSAVG: 1654600 72.2651 -26.9949 -9.64269 -26.9949 -32.057 -5.32602 -9.64272 -5.32602 21.0187 GPRESSAVG: 1654600 72.0222 -24.728 -11.1774 -25.4487 -31.5329 -3.70262 -11.597 -8.0714 20.8349 TIMING: 1654600 CPU: 5212.63, 0.00314425/step Wall: 5212.63, 0.00314425/step, 2.92188 hours remaining, 239.445312 MB of memory in use. ENERGY: 1654600 4036.0724 20646.2600 14437.3548 247.7462 -204341.3031 2914.2291 0.0000 0.0000 51919.0495 -110140.5910 298.3795 -162059.6405 -109781.0702 298.7243 -160.9381 -130.1972 760972.1822 20.4089 20.4414 PRESSURE: 1654800 -295.1 72.7807 -235.752 72.7812 -154.186 -108.295 -235.753 -108.294 -38.8235 GPRESSURE: 1654800 -326.675 113.637 -242.975 25.5028 -73.8235 -150.975 -6.076 -65.0384 -18.6383 PRESSAVG: 1654800 89.146 -14.0968 -13.6959 -14.0968 -8.66141 29.8546 -13.6959 29.8545 -20.6026 GPRESSAVG: 1654800 88.9022 -16.8825 -14.1809 -15.6225 -8.88747 29.0783 -10.5174 30.8873 -20.4572 TIMING: 1654800 CPU: 5213.26, 0.00314145/step Wall: 5213.26, 0.00314145/step, 2.9191 hours remaining, 239.445312 MB of memory in use. ENERGY: 1654800 4018.5448 20726.1850 14494.2384 249.7519 -204263.7436 2845.2529 0.0000 0.0000 51923.4712 -110006.2994 298.4049 -161929.7706 -109652.4172 298.4181 -162.7030 -139.7123 760307.6647 19.9607 19.8525 PRESSURE: 1655000 62.887 -50.369 294.819 -50.3685 -461.68 -29.0598 294.82 -29.0607 256.66 GPRESSURE: 1655000 -12.6576 -35.2468 288.317 -4.31585 -272.129 -87.4771 186.934 -91.5462 223.64 PRESSAVG: 1655000 9.40719 47.9611 12.325 47.9611 -10.3797 52.8023 12.325 52.8022 3.84897 GPRESSAVG: 1655000 9.04243 48.9217 14.065 48.396 -9.92249 52.0273 11.2309 52.4409 4.02758 TIMING: 1655000 CPU: 5213.89, 0.00314816/step Wall: 5213.89, 0.00314816/step, 2.92517 hours remaining, 239.445312 MB of memory in use. ENERGY: 1655000 3998.7265 20728.7683 14360.4191 239.9885 -203565.1429 2420.2966 0.0000 0.0000 51716.7791 -110100.1649 297.2170 -161816.9440 -109735.3642 298.4384 -47.3776 -20.3823 761604.6979 0.9588 1.0492 PRESSURE: 1655200 -31.2775 -232.801 19.8494 -232.801 -144.161 -31.7125 19.8495 -31.7126 122.649 GPRESSURE: 1655200 -21.9182 -263.139 15.9509 -214.097 -57.9198 -28.6154 -64.0867 13.4262 105.975 PRESSAVG: 1655200 -13.5573 -41.3995 -19.6756 -41.3995 17.4692 11.9939 -19.6755 11.9938 4.94674 GPRESSAVG: 1655200 -12.2465 -41.1254 -19.9002 -41.7668 16.9918 11.9601 -22.1903 14.3038 4.11211 TIMING: 1655200 CPU: 5214.52, 0.00316556/step Wall: 5214.52, 0.00316556/step, 2.94116 hours remaining, 239.445312 MB of memory in use. ENERGY: 1655200 3969.7544 20686.0569 14504.8949 260.3578 -203768.8563 2560.2787 0.0000 0.0000 51809.2594 -109978.2541 297.7485 -161787.5135 -109620.3488 298.2779 -17.5963 8.7122 760496.7143 2.9529 2.9525 PRESSURE: 1655400 -64.6707 -120.723 -107.768 -120.722 236.901 31.3733 -107.768 31.3725 -3.46994 GPRESSURE: 1655400 141.541 -134.514 -178.207 -127.931 54.3514 -81.7065 -177.513 110.499 48.0068 PRESSAVG: 1655400 27.6375 32.4122 2.47854 32.4121 -5.04005 40.6801 2.47847 40.6802 -16.9351 GPRESSAVG: 1655400 28.1383 33.0204 3.77047 33.6268 -6.59295 41.7836 2.25834 39.4895 -16.117 TIMING: 1655400 CPU: 5215.15, 0.00314986/step Wall: 5215.15, 0.00314986/step, 2.9264 hours remaining, 239.445312 MB of memory in use. ENERGY: 1655400 4043.6711 20349.4078 14443.8067 238.6894 -203773.8685 2718.9358 0.0000 0.0000 51963.9375 -110015.4203 298.6375 -161979.3578 -109654.1886 298.5060 56.2535 81.2996 760032.5457 1.8874 1.8094 PRESSURE: 1655600 -148.125 -45.216 175.959 -45.216 -66.4292 143.088 175.96 143.088 90.8733 GPRESSURE: 1655600 -58.4469 -82.212 221.391 1.73212 -75.9079 133.667 131.052 214.183 78.8022 PRESSAVG: 1655600 -12.6032 -17.5896 14.9389 -17.5896 17.047 4.29878 14.9389 4.29873 13.254 GPRESSAVG: 1655600 -13.298 -18.9551 13.7125 -18.3863 18.1766 2.80935 17.4639 4.03079 12.4016 TIMING: 1655600 CPU: 5215.79, 0.00316822/step Wall: 5215.79, 0.00316822/step, 2.94327 hours remaining, 239.445312 MB of memory in use. ENERGY: 1655600 3914.5901 20610.2096 14436.9093 233.6010 -203710.7773 2497.4312 0.0000 0.0000 52212.5887 -109805.4473 300.0665 -162018.0360 -109444.0082 298.8123 -41.2269 -18.5175 761974.2224 5.8992 5.7601 PRESSURE: 1655800 136.566 145.862 45.8288 145.862 323.678 211.647 45.8293 211.647 319.088 GPRESSURE: 1655800 242.459 157.745 97.0468 210.579 288.119 181.733 27.4338 139.246 325.988 PRESSAVG: 1655800 67.2078 24.0208 -3.67762 24.0207 -45.8976 24.3555 -3.67755 24.3555 -15.4966 GPRESSAVG: 1655800 66.2692 23.7627 -2.83955 24.921 -46.2524 24.5931 -4.35443 24.1474 -13.9331 TIMING: 1655800 CPU: 5216.42, 0.00316991/step Wall: 5216.42, 0.00316991/step, 2.94467 hours remaining, 239.445312 MB of memory in use. ENERGY: 1655800 3882.6581 20542.0273 14413.8173 246.9200 -203857.2523 2590.9304 0.0000 0.0000 52271.9873 -109908.9119 300.4078 -162180.8992 -109546.1562 298.6617 259.7776 285.5219 760126.9622 1.9379 2.0279 PRESSURE: 1656000 -193.673 -53.7152 -7.41783 -53.7158 100.106 -169.393 -7.41852 -169.394 186.556 GPRESSURE: 1656000 -96.0204 -93.853 -68.5794 -43.4195 175.372 -235.394 -103.881 26.1774 102.776 PRESSAVG: 1656000 -25.4689 13.7342 -20.6103 13.7342 18.0459 18.7697 -20.6103 18.7697 24.0862 GPRESSAVG: 1656000 -25.6598 15.4817 -21.4462 13.3185 19.4551 20.1511 -20.6557 18.1489 22.6808 TIMING: 1656000 CPU: 5217.06, 0.0031839/step Wall: 5217.06, 0.0031839/step, 2.95749 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1656000 3946.8644 20579.8850 14405.1275 256.3577 -203833.9539 2859.1213 0.0000 0.0000 52108.2361 -109678.3618 299.4667 -161786.5979 -109317.2325 299.1730 30.9966 60.7094 760164.3875 5.5544 5.4920 PRESSURE: 1656200 -107.082 109.607 158.416 109.608 39.7652 -327.733 158.416 -327.733 -92.1979 GPRESSURE: 1656200 -114.338 161.428 225.859 78.7757 49.3309 -399.358 125.359 -240.764 2.64625 PRESSAVG: 1656200 -51.0215 9.52889 -57.3085 9.52893 46.5801 -60.5872 -57.3086 -60.5871 21.8476 GPRESSAVG: 1656200 -51.7398 10.1423 -57.1756 10.2342 46.6668 -62.0834 -58.5864 -60.0506 23.33 TIMING: 1656200 CPU: 5217.69, 0.00317818/step Wall: 5217.69, 0.00317818/step, 2.952 hours remaining, 239.445312 MB of memory in use. ENERGY: 1656200 4000.2838 20689.4639 14459.8687 261.8716 -203180.9400 2298.0976 0.0000 0.0000 51794.5299 -109676.8246 297.6639 -161471.3545 -109325.1448 299.3285 -53.1714 -20.7871 761596.8616 5.8021 6.0857 LDB: ============= START OF LOAD BALANCING ============== 5230.09 LDB: ============== END OF LOAD BALANCING =============== 5230.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5230.1 LDB: ============= START OF LOAD BALANCING ============== 5230.41 LDB: Largest compute 7034 load 0.033816 is 17.3% of average load 0.195964 LDB: Average compute 0.004410 is 2.3% of average load 0.195964 LDB: TIME 5230.41 LOAD: AVG 0.195964 MAX 0.215963 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.41 MB LDB: TIME 5230.41 LOAD: AVG 0.195964 MAX 0.215963 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.48 MB LDB: TIME 5230.41 LOAD: AVG 0.195964 MAX 0.215963 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.48 MB LDB: ============== END OF LOAD BALANCING =============== 5230.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5230.42 PRESSURE: 1656400 -157.305 -139.438 105.213 -139.438 -65.8853 -72.3629 105.213 -72.3632 72.3909 GPRESSURE: 1656400 -146.415 -5.01463 158.729 -245.584 39.085 -77.0259 112.316 -95.7537 51.9866 PRESSAVG: 1656400 -15.5405 48.6746 -79.2641 48.6746 19.1693 30.3256 -79.2641 30.3256 -2.73678 GPRESSAVG: 1656400 -14.6315 47.9693 -79.4546 47.3652 19.2661 30.3631 -77.659 30.9395 -4.36338 TIMING: 1656400 CPU: 5218.34, 0.00322293/step Wall: 5218.34, 0.00322293/step, 2.99339 hours remaining, 237.625000 MB of memory in use. ENERGY: 1656400 4036.3085 20625.8239 14513.3694 245.3207 -203708.0070 2682.9373 0.0000 0.0000 51819.1075 -109785.1397 297.8051 -161604.2472 -109421.9365 298.7320 -50.2663 -18.4479 761113.4465 0.2973 0.0904 PRESSURE: 1656600 -271.387 -12.5109 -106.858 -12.511 70.6837 131.69 -106.857 131.689 84.591 GPRESSURE: 1656600 -216.783 -47.7608 -107.998 -66.7284 105.165 173.728 -83.3969 146.681 98.428 PRESSAVG: 1656600 -15.8727 -11.8683 0.0538385 -11.8684 -12.813 -25.2056 0.0538055 -25.2057 -7.75121 GPRESSAVG: 1656600 -16.7504 -12.007 0.454807 -11.2679 -13.624 -24.4577 -0.0864451 -25.7653 -6.10447 TIMING: 1656600 CPU: 5218.98, 0.00318792/step Wall: 5218.98, 0.00318792/step, 2.96069 hours remaining, 237.828125 MB of memory in use. ENERGY: 1656600 4069.8094 20841.2100 14456.5314 254.9902 -203699.2837 2454.0082 0.0000 0.0000 51800.4934 -109822.2410 297.6981 -161622.7344 -109468.6775 299.2900 -38.7039 -4.3966 760193.5538 -12.1456 -12.1596 PRESSURE: 1656800 -74.7647 40.8667 -104.28 40.8673 -12.8897 51.6218 -104.28 51.6225 -337.427 GPRESSURE: 1656800 -35.2384 24.7171 -26.8227 56.9253 -62.2071 30.4212 -143.93 91.3448 -248.046 PRESSAVG: 1656800 -21.239 -11.3693 -3.27899 -11.3693 36.3736 -99.9883 -3.27901 -99.9883 -10.1281 GPRESSAVG: 1656800 -21.0692 -11.3357 -4.17177 -10.4462 37.5198 -99.9958 -4.03633 -100.516 -11.2738 TIMING: 1656800 CPU: 5219.62, 0.00321468/step Wall: 5219.62, 0.00321468/step, 2.98536 hours remaining, 237.828125 MB of memory in use. ENERGY: 1656800 4031.0282 20610.6573 14349.2844 236.6370 -203519.2730 2567.5367 0.0000 0.0000 51950.0465 -109774.0828 298.5576 -161724.1294 -109416.3146 299.0111 -141.6937 -115.1640 761979.1992 1.6688 1.7256 PRESSURE: 1657000 -130.379 -75.4768 14.7921 -75.477 -101.037 -323.939 14.7926 -323.939 -79.9006 GPRESSURE: 1657000 -78.0776 -103.445 74.9175 -65.509 -116.296 -283.891 177.162 -383.586 -27.1277 PRESSAVG: 1657000 37.0888 -58.4085 2.90797 -58.4085 -60.0761 -43.0292 2.90797 -43.0292 -6.47468 GPRESSAVG: 1657000 38.3801 -57.075 3.1808 -60.4946 -60.5475 -42.3588 1.2071 -43.9692 -7.40518 TIMING: 1657000 CPU: 5220.25, 0.0031698/step Wall: 5220.25, 0.0031698/step, 2.94351 hours remaining, 237.828125 MB of memory in use. ENERGY: 1657000 3972.7580 20611.2808 14430.8953 255.5182 -203229.8066 2321.5038 0.0000 0.0000 52017.6021 -109620.2484 298.9459 -161637.8505 -109255.5508 298.9844 -103.7721 -73.8337 760703.4494 -9.8206 -9.8575 PRESSURE: 1657200 244.366 -105.449 -159.553 -105.449 388.472 1.54879 -159.553 1.54886 177.525 GPRESSURE: 1657200 311.228 -85.5655 -260.916 -151.94 389.9 33.8019 -53.6333 -49.8019 200.132 PRESSAVG: 1657200 68.1653 1.17288 16.1381 1.17291 -87.35 -11.8091 16.1381 -11.8091 17.9541 GPRESSAVG: 1657200 66.8339 -1.98451 17.3488 2.13118 -85.8267 -13.5039 19.6379 -11.828 18.5024 TIMING: 1657200 CPU: 5220.89, 0.00317907/step Wall: 5220.89, 0.00317907/step, 2.95195 hours remaining, 237.828125 MB of memory in use. ENERGY: 1657200 4033.8147 20651.2824 14468.3740 225.5230 -203820.5585 2749.4576 0.0000 0.0000 52257.9558 -109434.1509 300.3272 -161692.1068 -109063.1065 299.6506 270.1209 300.4198 760432.7901 -0.4102 -0.1635 PRESSURE: 1657400 -351.87 195.122 25.0801 195.122 -328.777 -234.884 25.0806 -234.884 -347.015 GPRESSURE: 1657400 -285.881 107.415 -4.7732 66.5778 -313.017 -178.444 76.6745 -180.515 -342.777 PRESSAVG: 1657400 11.6639 -15.6505 30.9108 -15.6505 -14.0243 -16.057 30.9109 -16.057 -4.42714 GPRESSAVG: 1657400 12.6769 -15.137 30.469 -16.8806 -15.4977 -14.7452 31.0264 -14.9507 -3.28718 TIMING: 1657400 CPU: 5221.52, 0.00315736/step Wall: 5221.52, 0.00315736/step, 2.93161 hours remaining, 237.828125 MB of memory in use. ENERGY: 1657400 4016.2721 20573.2995 14385.7420 265.6233 -203511.6403 2621.3889 0.0000 0.0000 52007.3280 -109641.9865 298.8868 -161649.3146 -109272.1020 299.8122 -342.5539 -313.8917 762426.9441 -2.2625 -2.0360 PRESSURE: 1657600 -140.694 -222.795 186.974 -222.795 18.9881 28.4397 186.973 28.4393 -177.548 GPRESSURE: 1657600 -46.2924 -224.355 231.654 -212.018 39.3259 -27.8924 -74.894 -41.1033 -207.772 PRESSAVG: 1657600 57.1663 -13.3404 9.49648 -13.3404 -33.9278 -41.8636 9.49644 -41.8637 15.7229 GPRESSAVG: 1657600 56.6843 -12.1275 9.42237 -12.4661 -33.496 -42.1875 7.5527 -42.9996 15.8314 TIMING: 1657600 CPU: 5222.15, 0.00315669/step Wall: 5222.15, 0.00315669/step, 2.93081 hours remaining, 237.828125 MB of memory in use. ENERGY: 1657600 4100.1155 20583.6986 14414.9382 252.3306 -204050.2552 2838.4295 0.0000 0.0000 52184.3246 -109676.4182 299.9040 -161860.7429 -109316.0922 299.7719 -99.7513 -71.5794 760424.5087 12.9871 13.0066 PRESSURE: 1657800 147.428 -6.77639 241.991 -6.77666 -21.5489 -109.049 241.992 -109.05 -98.6704 GPRESSURE: 1657800 168.091 -50.042 241.927 16.8006 10.4942 -112.68 182.362 -23.4379 -48.9552 PRESSAVG: 1657800 8.15706 -20.3996 17.3277 -20.3996 18.0103 -0.4831 17.3277 -0.483071 -2.30086 GPRESSAVG: 1657800 7.93017 -21.2946 19.3167 -20.638 18.1806 0.285188 15.8409 0.759894 -2.32002 TIMING: 1657800 CPU: 5222.78, 0.00316172/step Wall: 5222.78, 0.00316172/step, 2.9353 hours remaining, 237.828125 MB of memory in use. ENERGY: 1657800 4046.6793 20624.5683 14435.7215 246.5379 -204155.8966 2983.8996 0.0000 0.0000 52106.9447 -109711.5453 299.4593 -161818.4900 -109355.5442 299.4247 9.0697 43.2101 760919.4386 7.9555 7.9302 PRESSURE: 1658000 481.309 -262.488 -1.97689 -262.488 372.336 -307.742 -1.97689 -307.742 579.001 GPRESSURE: 1658000 505.335 -268.367 -57.6917 -225.344 435.421 -353.705 85.2623 -185.769 549.868 PRESSAVG: 1658000 8.05794 -56.6231 -0.675901 -56.623 -28.1662 17.1551 -0.675995 17.1552 -4.24361 GPRESSAVG: 1658000 8.2769 -58.9527 -2.59573 -53.7479 -28.7764 17.3236 0.867254 17.0849 -4.19057 TIMING: 1658000 CPU: 5223.42, 0.00315937/step Wall: 5223.42, 0.00315937/step, 2.93295 hours remaining, 237.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1658000 3940.3521 20710.5173 14388.5749 243.9694 -203897.1336 2852.6654 0.0000 0.0000 52373.5446 -109387.5098 300.9915 -161761.0545 -109023.6781 300.0890 477.5489 496.8747 760042.4834 -8.1173 -8.2300 PRESSURE: 1658200 -91.3338 68.1615 10.2856 68.1615 -224.583 -87.5689 10.285 -87.5693 202.906 GPRESSURE: 1658200 -90.497 120.304 -10.1162 -0.750986 -186.549 -89.7416 144.326 -12.027 241.233 PRESSAVG: 1658200 -24.2795 -27.3611 41.9806 -27.3611 26.8841 1.93351 41.9806 1.93347 2.99837 GPRESSAVG: 1658200 -23.1097 -22.9097 42.4402 -28.4809 26.6086 1.74002 44.1284 0.998855 2.30701 TIMING: 1658200 CPU: 5224.05, 0.003163/step Wall: 5224.05, 0.003163/step, 2.93614 hours remaining, 237.828125 MB of memory in use. ENERGY: 1658200 3993.0253 20400.2450 14456.8935 234.9894 -203086.2741 2528.6600 0.0000 0.0000 52020.4430 -109452.0179 298.9622 -161472.4609 -109087.8408 299.3511 -37.6701 -11.9378 763741.5758 1.8677 1.9353 PRESSURE: 1658400 -305.162 -107.495 64.9057 -107.494 -30.3178 108.615 64.906 108.614 237.227 GPRESSURE: 1658400 -253.814 -178.479 -8.31477 -37.09 57.54 97.4121 44.0834 83.6278 191.762 PRESSAVG: 1658400 -22.8967 -9.2984 69.4045 -9.29838 7.043 8.92408 69.4045 8.92406 11.3934 GPRESSAVG: 1658400 -23.3745 -9.50054 67.3925 -9.99399 7.31974 9.23419 66.7246 9.81937 11.8202 TIMING: 1658400 CPU: 5224.68, 0.00316287/step Wall: 5224.68, 0.00316287/step, 2.93585 hours remaining, 237.828125 MB of memory in use. ENERGY: 1658400 3981.6056 20461.2932 14442.6666 253.7790 -203239.3020 2556.8473 0.0000 0.0000 52041.2994 -109501.8108 299.0821 -161543.1102 -109141.3163 299.3151 -32.7511 -1.5038 762284.8665 -1.4868 -1.4115 PRESSURE: 1658600 488.979 30.5495 202.72 30.5504 -298.768 165.749 202.721 165.748 338.887 GPRESSURE: 1658600 476.929 13.5768 200.728 -17.6394 -179 101.447 248.291 96.8426 339.776 PRESSAVG: 1658600 82.4465 6.80679 -14.6411 6.80677 -56.6835 -44.9517 -14.6411 -44.9517 -7.48711 GPRESSAVG: 1658600 81.8696 4.35982 -13.1965 8.14906 -56.0299 -45.6992 -14.1441 -44.8175 -7.61528 TIMING: 1658600 CPU: 5225.31, 0.0031481/step Wall: 5225.31, 0.00314811/step, 2.92197 hours remaining, 237.828125 MB of memory in use. ENERGY: 1658600 4044.1597 20457.5779 14474.9252 244.9761 -203756.7740 2897.3640 0.0000 0.0000 51969.3765 -109668.3945 298.6687 -161637.7711 -109311.8286 299.0113 176.3661 212.5681 761199.6421 6.0920 6.0748 PRESSURE: 1658800 -391.185 -57.8341 100.006 -57.8342 35.0489 -156.923 100.005 -156.923 564.473 GPRESSURE: 1658800 -304.754 -27.2462 8.81104 84.1785 6.13735 -122.719 129.372 -99.6387 581.037 PRESSAVG: 1658800 29.4436 -15.7761 31.8764 -15.776 -18.6947 16.6033 31.8764 16.6033 -8.05633 GPRESSAVG: 1658800 29.836 -15.5217 31.9836 -16.9035 -18.3426 14.621 32.5628 14.4443 -8.57199 TIMING: 1658800 CPU: 5225.94, 0.00315917/step Wall: 5225.94, 0.00315917/step, 2.93206 hours remaining, 237.828125 MB of memory in use. ENERGY: 1658800 4000.4382 20463.6331 14465.6382 230.3066 -203599.9084 2705.4019 0.0000 0.0000 51995.5873 -109738.9031 298.8194 -161734.4905 -109382.1058 299.4103 69.4458 94.1400 761367.5830 0.8975 0.9738 PRESSURE: 1659000 149.01 -6.40149 -26.2625 -6.40024 -547.444 -163.762 -26.2611 -163.761 -297.045 GPRESSURE: 1659000 111.466 67.8311 -6.05957 126.428 -462.886 -212.013 -93.5247 57.9472 -279.293 PRESSAVG: 1659000 -45.2876 21.9524 9.29816 21.9523 17.543 -22.1366 9.29815 -22.1366 -10.7175 GPRESSAVG: 1659000 -45.5895 23.0282 8.88585 22.5835 17.4481 -20.2101 8.46702 -18.8807 -10.0872 TIMING: 1659000 CPU: 5226.57, 0.003157/step Wall: 5226.57, 0.003157/step, 2.92987 hours remaining, 237.828125 MB of memory in use. ENERGY: 1659000 4013.6679 20650.8182 14491.9389 234.8289 -203342.2588 2452.9684 0.0000 0.0000 51994.5920 -109503.4445 298.8136 -161498.0365 -109145.4495 299.2521 -231.8261 -210.2377 760662.0121 -12.8207 -12.7429 PRESSURE: 1659200 -234.713 94.4812 206.71 94.4815 -91.5197 4.97908 206.709 4.97944 -35.3117 GPRESSURE: 1659200 -181.28 110.635 156.209 66.7026 -24.5221 -131.326 105.034 -72.0995 -60.9446 PRESSAVG: 1659200 15.8761 35.2327 -28.0907 35.2327 -51.0277 -58.6673 -28.0908 -58.6673 20.4188 GPRESSAVG: 1659200 16.5756 35.9913 -29.7916 36.0953 -51.0868 -58.9674 -29.152 -61.7089 19.7154 TIMING: 1659200 CPU: 5227.2, 0.0031464/step Wall: 5227.2, 0.0031464/step, 2.91986 hours remaining, 237.828125 MB of memory in use. ENERGY: 1659200 3888.6372 20500.3497 14529.4704 236.9031 -203604.0293 2804.7929 0.0000 0.0000 52216.9632 -109426.9127 300.0916 -161643.8759 -109054.8995 300.0961 -120.5148 -88.9157 760011.7312 -4.9110 -4.9319 PRESSURE: 1659400 -52.1367 -310.237 -93.5822 -310.236 -53.6557 197.415 -93.581 197.415 192.269 GPRESSURE: 1659400 5.11993 -355.35 -35.8141 -267.778 -72.5542 169.33 -56.8793 151.505 275.111 PRESSAVG: 1659400 58.9417 -37.1262 -2.91773 -37.1262 -5.0162 -10.3612 -2.91769 -10.3612 6.09251 GPRESSAVG: 1659400 59.0119 -38.3152 -2.71166 -37.7714 -5.47774 -10.8142 -0.0244194 -10.4792 6.68739 TIMING: 1659400 CPU: 5227.83, 0.00314525/step Wall: 5227.83, 0.00314525/step, 2.91862 hours remaining, 237.828125 MB of memory in use. ENERGY: 1659400 3975.4737 20550.2664 14442.7789 247.8411 -203405.8791 2638.0094 0.0000 0.0000 52148.9746 -109402.5351 299.7009 -161551.5097 -109038.0398 299.8285 28.8255 69.2255 760626.9803 20.0060 20.0739 PRESSURE: 1659600 -174.645 195.099 281.196 195.098 -126.663 22.2303 281.196 22.2299 137.052 GPRESSURE: 1659600 -54.2104 261.709 193.285 205.827 -104.736 32.5379 78.4065 133.172 72.8591 PRESSAVG: 1659600 -6.18019 35.9188 31.0508 35.9187 46.9561 -52.2179 31.0507 -52.2179 -17.7902 GPRESSAVG: 1659600 -5.67229 36.0855 32.9725 36.2088 47.5259 -52.5993 27.289 -50.2335 -17.639 TIMING: 1659600 CPU: 5228.46, 0.00314749/step Wall: 5228.46, 0.00314749/step, 2.92052 hours remaining, 237.828125 MB of memory in use. ENERGY: 1659600 3970.8385 20479.1957 14457.9463 248.3699 -203125.3218 2396.7766 0.0000 0.0000 52125.8891 -109446.3055 299.5682 -161572.1946 -109071.1408 299.9771 -54.7519 -28.6959 761934.9209 7.6619 8.0715 PRESSURE: 1659800 -18.7414 128.32 26.3153 128.321 30.2711 57.3724 26.3161 57.3725 -413.988 GPRESSURE: 1659800 21.863 50.453 21.0175 111.426 24.1678 105.32 32.6305 56.5733 -384.476 PRESSAVG: 1659800 -12.0935 56.5682 55.273 56.5681 -20.987 -9.0029 55.2729 -9.00291 -21.6603 GPRESSAVG: 1659800 -13.874 57.592 53.4286 55.4491 -20.7211 -8.10137 56.4856 -9.6151 -20.4224 TIMING: 1659800 CPU: 5229.1, 0.00317456/step Wall: 5229.1, 0.00317457/step, 2.94547 hours remaining, 237.828125 MB of memory in use. ENERGY: 1659800 4041.7374 20579.8101 14493.5934 245.7588 -203524.2822 2628.5202 0.0000 0.0000 51942.9207 -109591.9417 298.5167 -161534.8624 -109235.0888 299.4610 -134.1529 -112.8150 759864.4765 -18.2469 -18.3392 PRESSURE: 1660000 -225.815 -48.7233 138.014 -48.7242 96.8291 7.35725 138.015 7.35771 128.575 GPRESSURE: 1660000 -94.8984 -39.6409 146.012 32.4702 117.108 -15.1567 193.072 -53.8327 66.6376 PRESSAVG: 1660000 44.1214 -32.0135 16.6881 -32.0135 -7.78646 -12.1073 16.6881 -12.1074 39.3245 GPRESSAVG: 1660000 45.0267 -34.3955 18.7383 -29.6556 -7.18242 -12.8321 16.8628 -12.3245 38.1757 TIMING: 1660000 CPU: 5229.73, 0.00316652/step Wall: 5229.73, 0.00316652/step, 2.93782 hours remaining, 237.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1660000 3973.5488 20482.3762 14430.1372 253.4172 -203443.4790 2555.0392 0.0000 0.0000 51991.7006 -109757.2599 298.7970 -161748.9605 -109387.0579 299.9016 -0.1370 29.6159 759125.3350 25.2198 25.3400 PRESSURE: 1660200 -65.8185 60.6237 -20.8205 60.6241 -83.2198 34.9077 -20.8198 34.9079 -25.3013 GPRESSURE: 1660200 -78.0869 8.68788 -23.0714 51.8983 -30.8813 52.4246 19.2196 0.909702 -6.04462 PRESSAVG: 1660200 50.2456 -4.44114 -0.00277175 -4.44119 -23.9116 24.9533 -0.00282238 24.9532 19.1673 GPRESSAVG: 1660200 51.1509 -3.67454 0.719731 -4.54064 -24.549 25.9532 -0.18836 26.5883 18.9795 TIMING: 1660200 CPU: 5230.36, 0.00315229/step Wall: 5230.36, 0.00315229/step, 2.92445 hours remaining, 237.828125 MB of memory in use. ENERGY: 1660200 4018.5213 20581.6954 14478.5057 230.3998 -203765.2097 2601.2833 0.0000 0.0000 52017.4790 -109837.3251 298.9452 -161854.8041 -109477.7779 298.9403 -58.1132 -38.3376 760022.8190 15.1671 15.1938 LDB: ============= START OF LOAD BALANCING ============== 5242.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5242.76 LDB: =============== DONE WITH MIGRATION ================ 5242.76 LDB: ============= START OF LOAD BALANCING ============== 5243.07 LDB: Largest compute 7033 load 0.032060 is 16.4% of average load 0.195949 LDB: Average compute 0.004398 is 2.2% of average load 0.195949 LDB: TIME 5243.08 LOAD: AVG 0.195949 MAX 0.214276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.887 MB LDB: TIME 5243.08 LOAD: AVG 0.195949 MAX 0.214276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.887 MB LDB: TIME 5243.08 LOAD: AVG 0.195949 MAX 0.214276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.887 MB LDB: ============== END OF LOAD BALANCING =============== 5243.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 5243.08 Info: useSync: 0 useProxySync: 0 PRESSURE: 1660400 296.026 -35.0552 -198.095 -35.0553 -178.036 -175.472 -198.094 -175.471 -389.276 GPRESSURE: 1660400 309.847 -138.609 -108.129 -29.8303 -116.011 -218.086 -278.383 -27.443 -363.797 PRESSAVG: 1660400 22.4948 18.6353 -10.2875 18.6352 11.5342 1.6768 -10.2875 1.67673 19.0509 GPRESSAVG: 1660400 21.1047 19.4431 -11.0584 15.1806 10.9454 0.0792921 -11.1594 0.34081 21.0514 TIMING: 1660400 CPU: 5231, 0.00320823/step Wall: 5231, 0.00320823/step, 2.97617 hours remaining, 238.281250 MB of memory in use. ENERGY: 1660400 4050.8488 20406.6357 14494.0298 238.1500 -203873.4698 2826.5878 0.0000 0.0000 52193.8492 -109663.3686 299.9588 -161857.2178 -109298.1895 299.0335 -90.4287 -56.6534 761223.2973 17.6933 17.7005 PRESSURE: 1660600 -235.066 -240.783 -55.092 -240.783 51.5916 6.37008 -55.0922 6.37044 -94.4077 GPRESSURE: 1660600 -177.224 -374.214 9.78061 -235.197 0.610665 20.8476 -105.143 88.7168 -9.21822 PRESSAVG: 1660600 48.9606 -50.8385 -23.3859 -50.8384 0.353737 -13.2177 -23.3858 -13.2178 8.48513 GPRESSAVG: 1660600 49.4451 -52.5098 -24.9467 -48.9131 0.856378 -12.181 -21.7827 -13.6509 7.66179 TIMING: 1660600 CPU: 5231.63, 0.00314657/step Wall: 5231.63, 0.00314657/step, 2.9188 hours remaining, 238.281250 MB of memory in use. ENERGY: 1660600 4034.4153 20461.6508 14487.6555 226.2914 -203692.8362 2659.7037 0.0000 0.0000 52164.7096 -109658.4100 299.7913 -161823.1196 -109290.3015 299.5920 -92.6274 -61.9437 760112.1996 19.2665 19.3211 PRESSURE: 1660800 -211.164 284.3 -181.317 284.301 -18.2635 -156.775 -181.317 -156.774 -123.874 GPRESSURE: 1660800 -212.479 277.052 -174.155 233.615 -26.8276 -23.5047 -136.874 -228.659 -40.4357 PRESSAVG: 1660800 -19.3705 -12.1969 26.1072 -12.1969 21.1487 23.5673 26.1072 23.5674 2.70726 GPRESSAVG: 1660800 -19.5974 -8.63133 26.3065 -12.4828 22.0435 24.555 25.5551 23.982 2.71345 TIMING: 1660800 CPU: 5232.26, 0.00315936/step Wall: 5232.26, 0.00315936/step, 2.93048 hours remaining, 238.281250 MB of memory in use. ENERGY: 1660800 3938.2963 20647.7708 14351.9486 254.9416 -203499.9261 2681.2531 0.0000 0.0000 51889.5205 -109736.1952 298.2098 -161625.7157 -109368.1592 299.0693 -117.7670 -93.2473 762855.6566 1.4951 1.7198 PRESSURE: 1661000 -438.138 124.67 36.3228 124.67 -15.6937 -144.471 36.3227 -144.472 401.398 GPRESSURE: 1661000 -353.473 5.36637 116.311 92.9026 11.5196 -142.255 11.544 -88.4137 342.836 PRESSAVG: 1661000 1.65266 27.3292 8.33475 27.3291 -7.47475 -1.22308 8.33477 -1.22301 -23.4019 GPRESSAVG: 1661000 3.11523 23.9587 9.22424 27.1912 -7.9331 -2.80761 8.89137 -1.61282 -24.554 TIMING: 1661000 CPU: 5232.9, 0.00316378/step Wall: 5232.9, 0.00316378/step, 2.93441 hours remaining, 238.281250 MB of memory in use. ENERGY: 1661000 4009.5522 20682.3119 14385.4457 239.2602 -203290.4598 2545.7783 0.0000 0.0000 51734.0070 -109694.1045 297.3160 -161428.1115 -109328.6887 298.6736 -17.4776 0.2943 763198.0242 -9.7413 -9.7906 PRESSURE: 1661200 40.5052 0.591984 -173.073 0.591537 -114.781 160.579 -173.073 160.58 63.4256 GPRESSURE: 1661200 49.5688 -48.4677 -216.564 -89.2113 -54.2685 74.2635 -126.856 128.405 84.3923 PRESSAVG: 1661200 2.28669 24.3679 16.751 24.3678 15.009 -2.03528 16.751 -2.03526 -3.60805 GPRESSAVG: 1661200 1.20946 26.7223 15.5351 23.0349 15.0426 -2.28262 16.7563 -2.70562 -2.72174 TIMING: 1661200 CPU: 5233.53, 0.00316864/step Wall: 5233.53, 0.00316864/step, 2.93874 hours remaining, 238.281250 MB of memory in use. ENERGY: 1661200 4027.4412 20615.4840 14362.3334 265.2343 -203843.2957 2783.7735 0.0000 0.0000 52078.9555 -109710.0739 299.2985 -161789.0293 -109349.5082 298.6367 -3.6168 26.5642 761631.2739 4.5625 4.5101 PRESSURE: 1661400 -126.101 33.1788 -68.7044 33.1788 -85.0192 -191.085 -68.7048 -191.085 -354.949 GPRESSURE: 1661400 -66.362 72.9934 -105.076 118.41 -107.591 -132.835 -52.8127 -283.697 -286.39 PRESSAVG: 1661400 62.1825 -12.0501 -41.0411 -12.0501 -43.8545 10.3863 -41.0411 10.3863 19.6072 GPRESSAVG: 1661400 62.3285 -12.1501 -39.6203 -10.4092 -42.7419 12.8382 -41.6169 12.1179 18.2729 TIMING: 1661400 CPU: 5234.16, 0.00316854/step Wall: 5234.16, 0.00316854/step, 2.93847 hours remaining, 238.281250 MB of memory in use. ENERGY: 1661400 4035.1258 20573.2463 14422.2008 245.2942 -203844.9249 2824.3961 0.0000 0.0000 51997.2898 -109747.3719 298.8291 -161744.6617 -109382.7368 298.9561 -188.6899 -153.4477 761732.4607 12.6451 12.6198 PRESSURE: 1661600 292.197 -33.554 -96.9164 -33.5546 -42.7266 48.9098 -96.9168 48.9097 -199.194 GPRESSURE: 1661600 277.017 -25.312 -181 -165.045 -7.86205 59.3563 -39.0858 89.2075 -138.557 PRESSAVG: 1661600 -9.11188 -10.2393 44.4112 -10.2393 8.75421 -32.8771 44.4112 -32.8771 8.07426 GPRESSAVG: 1661600 -8.60684 -9.16329 44.4355 -10.7121 8.00656 -35.3048 42.7073 -35.0512 8.27137 TIMING: 1661600 CPU: 5234.79, 0.00315614/step Wall: 5234.79, 0.00315614/step, 2.9268 hours remaining, 238.281250 MB of memory in use. ENERGY: 1661600 3918.8519 20445.1145 14513.1027 240.6694 -203786.2396 2701.7472 0.0000 0.0000 52272.0208 -109694.7331 300.4080 -161966.7539 -109327.7504 299.1574 16.7588 43.5326 759007.9234 2.5722 2.5570 PRESSURE: 1661800 -307.745 121.503 185.349 121.503 -29.4422 68.7243 185.35 68.7238 -325.913 GPRESSURE: 1661800 -239.909 30.7206 127.187 113.997 -0.754086 -2.62033 202.427 128.435 -328.122 PRESSAVG: 1661800 14.1829 -2.98088 22.2453 -2.98086 -8.04856 -21.3722 22.2452 -21.3722 -24.0896 GPRESSAVG: 1661800 13.0165 -5.15643 21.6607 -2.28309 -7.22926 -20.48 23.84 -19.2877 -24.0311 TIMING: 1661800 CPU: 5235.42, 0.00313501/step Wall: 5235.42, 0.00313501/step, 2.90702 hours remaining, 238.281250 MB of memory in use. ENERGY: 1661800 3916.8793 20513.7199 14463.9903 263.8665 -203329.5547 2178.4715 0.0000 0.0000 52355.1665 -109637.4605 300.8859 -161992.6271 -109262.5804 299.1139 -221.0335 -189.5952 760020.4650 -5.9851 -6.0813 PRESSURE: 1662000 -596.478 99.7272 111.254 99.727 -212.565 -47.1829 111.254 -47.1833 -767.106 GPRESSURE: 1662000 -514.048 21.8391 110.646 73.9174 -175.839 -80.8374 55.3687 18.26 -783.88 PRESSAVG: 1662000 49.0334 -8.37779 42.9415 -8.37785 -26.9778 22.1075 42.9416 22.1075 29.7036 GPRESSAVG: 1662000 50.8399 -7.58933 43.1047 -8.05442 -28.7613 21.725 43.0874 23.2735 29.6563 TIMING: 1662000 CPU: 5236.05, 0.00314993/step Wall: 5236.05, 0.00314993/step, 2.92069 hours remaining, 238.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1662000 4018.1214 20551.2947 14442.2533 241.3040 -203396.3649 2324.1155 0.0000 0.0000 52180.2040 -109639.0720 299.8803 -161819.2760 -109267.8493 299.9779 -525.3827 -491.2559 760553.8517 17.2530 17.2449 PRESSURE: 1662200 196.033 91.9195 28.1877 91.9195 -273.06 86.2299 28.1873 86.2295 -50.0354 GPRESSURE: 1662200 233.463 129.089 50.2229 136.595 -253.397 93.8289 105.742 85.756 -35.4997 PRESSAVG: 1662200 24.9481 33.0415 67.5301 33.0415 -31.642 12.6387 67.5301 12.6386 4.07617 GPRESSAVG: 1662200 22.9103 30.8549 66.6431 32.9672 -30.8755 13.0869 67.6869 9.0983 4.74388 TIMING: 1662200 CPU: 5236.68, 0.00316062/step Wall: 5236.68, 0.00316062/step, 2.93043 hours remaining, 238.281250 MB of memory in use. ENERGY: 1662200 3936.6737 20543.6374 14454.4146 270.3668 -203310.9000 2430.2948 0.0000 0.0000 52187.9560 -109487.5567 299.9249 -161675.5127 -109134.6625 300.0088 -42.3541 -18.4777 760324.3889 -0.8726 -1.0738 PRESSURE: 1662400 101.062 75.6398 30.8302 75.6391 330.628 211.301 30.8305 211.301 62.8651 GPRESSURE: 1662400 134.191 -28.2795 59.6113 36.211 357.506 222.99 61.9703 131.263 69.8152 PRESSAVG: 1662400 24.6186 20.7999 36.2498 20.7999 6.17334 -6.74028 36.2498 -6.74023 -3.97321 GPRESSAVG: 1662400 26.2231 22.0088 38.5836 20.1581 5.91015 -7.62661 36.3203 -8.07892 -5.04887 TIMING: 1662400 CPU: 5237.32, 0.00315702/step Wall: 5237.32, 0.00315702/step, 2.92691 hours remaining, 238.281250 MB of memory in use. ENERGY: 1662400 4023.7871 20661.9215 14452.1454 238.2743 -203698.6036 2862.8368 0.0000 0.0000 51868.0950 -109591.5435 298.0867 -161459.6385 -109248.2696 299.6202 164.8519 187.1708 759651.4842 8.9396 9.0281 PRESSURE: 1662600 189.591 -109.33 -142.928 -109.329 29.6745 2.82068 -142.928 2.82062 112.918 GPRESSURE: 1662600 201.429 -16.0408 -117.506 -32.3573 42.6394 -93.911 -174.78 165.518 156.22 PRESSAVG: 1662600 -26.7451 -8.18174 6.48163 -8.18179 4.39807 -41.8386 6.48163 -41.8386 19.1153 GPRESSAVG: 1662600 -28.5208 -8.08752 4.07086 -9.08611 5.57731 -39.7763 7.97626 -37.8101 19.6102 TIMING: 1662600 CPU: 5237.94, 0.00314615/step Wall: 5237.94, 0.00314615/step, 2.91665 hours remaining, 238.281250 MB of memory in use. ENERGY: 1662600 3878.5859 20557.6663 14542.2050 226.8638 -203154.5936 2252.3450 0.0000 0.0000 52037.5822 -109659.3454 299.0607 -161696.9276 -109293.2796 299.5376 110.7278 133.4295 761023.3618 -1.0772 -1.1111 PRESSURE: 1662800 -57.9656 -27.0962 64.9168 -27.0955 -376.547 224.727 64.9157 224.727 -270.643 GPRESSURE: 1662800 -62.2327 -36.3544 -52.5754 -33.3873 -213.032 145.036 5.3678 36.3037 -348.416 PRESSAVG: 1662800 -17.992 26.1138 -24.1037 26.1138 -30.2079 -20.3076 -24.1037 -20.3077 19.3682 GPRESSAVG: 1662800 -16.8773 25.4731 -24.672 29.2481 -32.2176 -21.311 -25.1645 -22.1385 20.2081 TIMING: 1662800 CPU: 5238.57, 0.00313207/step Wall: 5238.57, 0.00313207/step, 2.90343 hours remaining, 238.281250 MB of memory in use. ENERGY: 1662800 4027.5436 20456.7625 14494.4473 245.1624 -203458.7128 2500.7471 0.0000 0.0000 52249.3741 -109484.6758 300.2779 -161734.0499 -109119.2416 299.3904 -235.0518 -207.8936 761766.2755 -9.6106 -9.6289 PRESSURE: 1663000 89.394 -69.0648 -153.385 -69.0656 269.002 55.7964 -153.386 55.7959 195.375 GPRESSURE: 1663000 134.772 -105.102 -107.044 -143.917 302.642 99.9252 -64.6388 3.3247 221.433 PRESSAVG: 1663000 21.8723 -10.579 -12.924 -10.579 7.65309 -42.927 -12.924 -42.9271 -16.9871 GPRESSAVG: 1663000 21.4065 -9.76269 -12.3005 -14.0826 8.99317 -41.6691 -13.5303 -43.5867 -17.5828 TIMING: 1663000 CPU: 5239.2, 0.00316422/step Wall: 5239.2, 0.00316422/step, 2.93306 hours remaining, 238.281250 MB of memory in use. ENERGY: 1663000 3944.0457 20427.8353 14516.8952 266.7878 -203866.1085 3044.0688 0.0000 0.0000 52245.9992 -109420.4764 300.2585 -161666.4756 -109054.9170 300.0402 184.5905 219.6154 761731.7288 4.1794 4.2723 PRESSURE: 1663200 -23.0525 -186.294 8.28553 -186.293 -381.39 -198.872 8.28553 -198.872 -203.523 GPRESSURE: 1663200 28.359 -76.4178 -3.81511 -227.823 -364.765 -211.026 34.4084 -180.899 -177.851 PRESSAVG: 1663200 -28.2116 3.94997 11.5973 3.94999 -6.12792 -15.376 11.5973 -15.376 11.4258 GPRESSAVG: 1663200 -27.3493 2.26965 11.0509 6.61329 -6.12897 -16.7319 12.3723 -14.1932 10.7527 TIMING: 1663200 CPU: 5239.83, 0.00312761/step Wall: 5239.83, 0.00312761/step, 2.89895 hours remaining, 238.281250 MB of memory in use. ENERGY: 1663200 3909.5864 20365.7275 14419.8202 261.1114 -203327.8857 2592.2533 0.0000 0.0000 52303.8965 -109475.4903 300.5912 -161779.3868 -109110.8196 299.5251 -202.6552 -171.4190 763302.1480 -7.6379 -7.5752 PRESSURE: 1663400 472.324 330.57 92.7356 330.57 -55.8542 248.457 92.7357 248.456 -50.8057 GPRESSURE: 1663400 422.015 242.998 77.5939 192.67 7.73112 205.262 67.6387 220.929 14.9871 PRESSAVG: 1663400 39.1903 20.936 37.9936 20.936 -47.906 -2.67226 37.9936 -2.67219 16.0785 GPRESSAVG: 1663400 38.2197 22.9377 40.6487 18.9259 -48.4019 -3.04844 35.5562 -5.50112 17.1725 TIMING: 1663400 CPU: 5240.46, 0.00314594/step Wall: 5240.46, 0.00314594/step, 2.91576 hours remaining, 238.281250 MB of memory in use. ENERGY: 1663400 3968.2781 20529.4080 14435.4174 209.3572 -203317.8567 2575.7454 0.0000 0.0000 52172.0181 -109427.6326 299.8333 -161599.6507 -109059.3545 299.7525 121.8880 148.2444 761942.4320 2.4543 2.3301 PRESSURE: 1663600 -142.786 189.459 -15.1817 189.458 -233.467 -225.738 -15.1812 -225.739 -286.771 GPRESSURE: 1663600 -69.4795 183.132 -125.681 -6.24924 -324.105 -156.702 -68.5959 -232.574 -180.583 PRESSAVG: 1663600 -41.6105 16.6121 -5.11225 16.6121 38.6489 -71.8678 -5.11229 -71.8679 13.9699 GPRESSAVG: 1663600 -40.8754 17.6571 -6.71751 17.4626 37.7464 -71.0263 -2.37689 -70.9338 13.8848 TIMING: 1663600 CPU: 5241.09, 0.00313986/step Wall: 5241.09, 0.00313986/step, 2.90995 hours remaining, 238.281250 MB of memory in use. ENERGY: 1663600 3952.0345 20418.7617 14477.1987 243.4456 -203199.7680 2381.6838 0.0000 0.0000 52253.3130 -109473.3308 300.3005 -161726.6437 -109107.2337 299.5671 -221.0079 -191.3891 761728.9881 3.6694 3.5853 PRESSURE: 1663800 -47.6737 29.5941 -87.2561 29.5944 11.94 27.2159 -87.2553 27.2157 81.9439 GPRESSURE: 1663800 47.2214 1.87533 -81.2364 16.9262 51.4723 -11.08 -110.567 203.74 15.8774 PRESSAVG: 1663800 8.67992 -25.3438 35.1248 -25.3439 -70.8291 -25.5582 35.1248 -25.5582 8.89233 GPRESSAVG: 1663800 9.14651 -26.8258 36.0584 -26.6384 -70.4012 -27.3109 34.2686 -21.5424 8.04024 TIMING: 1663800 CPU: 5241.71, 0.00312247/step Wall: 5241.71, 0.00312247/step, 2.89366 hours remaining, 238.281250 MB of memory in use. ENERGY: 1663800 3923.9925 20606.3602 14430.0066 229.5794 -203628.2273 2760.6288 0.0000 0.0000 52220.6570 -109457.0029 300.1128 -161677.6599 -109092.9406 299.5195 15.4034 38.1904 761795.9150 -17.7523 -17.7381 PRESSURE: 1664000 -141.014 218.067 -11.8203 218.067 79.933 -1.8299 -11.8197 -1.82981 -31.8558 GPRESSURE: 1664000 -143.725 210.918 -6.07048 134.636 125.827 -4.28777 18.5705 25.7901 12.6087 PRESSAVG: 1664000 -15.5721 -14.9478 24.013 -14.9478 16.6479 0.970586 24.0129 0.970566 -13.2541 GPRESSAVG: 1664000 -16.399 -13.8433 22.0294 -14.7673 17.5124 3.18865 23.4431 -1.6129 -12.8993 TIMING: 1664000 CPU: 5242.34, 0.00314387/step Wall: 5242.34, 0.00314387/step, 2.91332 hours remaining, 238.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1664000 4007.4284 20388.3452 14525.6975 228.7787 -203236.3633 2516.9725 0.0000 0.0000 51986.4335 -109582.7075 298.7667 -161569.1409 -109220.1054 299.0411 -30.9788 -1.7632 762020.2994 -4.0594 -3.9286 PRESSURE: 1664200 303.135 53.3771 123.424 53.3775 141.681 190.527 123.424 190.526 265.513 GPRESSURE: 1664200 306.791 -56.1274 121.17 50.4608 156.242 285.005 131.317 107.819 330.816 PRESSAVG: 1664200 41.0297 20.3669 -19.6012 20.3669 -31.6083 27.2178 -19.6013 27.2178 10.1713 GPRESSAVG: 1664200 41.8717 18.6769 -18.628 21.6687 -32.4231 25.846 -18.649 27.9971 10.0484 TIMING: 1664200 CPU: 5242.97, 0.00314286/step Wall: 5242.97, 0.00314286/step, 2.91221 hours remaining, 238.281250 MB of memory in use. ENERGY: 1664200 3936.6855 20434.0640 14410.0578 249.5748 -203168.4697 2749.6698 0.0000 0.0000 51940.4171 -109448.0007 298.5023 -161388.4177 -109089.3528 299.1547 236.7761 264.6164 762619.4892 6.5309 6.4990 LDB: ============= START OF LOAD BALANCING ============== 5255.37 LDB: ============== END OF LOAD BALANCING =============== 5255.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5255.37 LDB: ============= START OF LOAD BALANCING ============== 5255.68 LDB: Largest compute 7066 load 0.032684 is 16.7% of average load 0.195962 LDB: Average compute 0.004396 is 2.2% of average load 0.195962 LDB: TIME 5255.69 LOAD: AVG 0.195962 MAX 0.216098 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.574 MB LDB: TIME 5255.69 LOAD: AVG 0.195962 MAX 0.216098 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.574 MB LDB: TIME 5255.69 LOAD: AVG 0.195962 MAX 0.216098 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.574 MB LDB: ============== END OF LOAD BALANCING =============== 5255.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5255.69 PRESSURE: 1664400 -72.4987 47.4159 -128.621 47.4157 -286.137 178.14 -128.622 178.141 -104.631 GPRESSURE: 1664400 -12.1884 151.581 -42.7596 35.6617 -244.364 239.719 -96.9895 166.271 -131.965 PRESSAVG: 1664400 57.8862 -28.4036 -14.0601 -28.4037 -65.874 3.53997 -14.0601 3.53991 -3.9861 GPRESSAVG: 1664400 56.6958 -25.6422 -13.8037 -28.233 -64.5929 3.95625 -13.8363 2.82533 -4.47389 TIMING: 1664400 CPU: 5243.61, 0.00321772/step Wall: 5243.61, 0.00321772/step, 2.9814 hours remaining, 239.121094 MB of memory in use. ENERGY: 1664400 3919.9889 20571.7417 14454.2826 251.6082 -203441.3433 2562.9938 0.0000 0.0000 52075.3900 -109605.3381 299.2780 -161680.7281 -109249.5609 298.9621 -154.4223 -129.5060 762981.6720 -3.9913 -4.1237 PRESSURE: 1664600 -99.5239 -100.659 14.2779 -100.658 -25.9673 86.3078 14.2786 86.3079 -27.4143 GPRESSURE: 1664600 -12.8728 -197.026 -89.6102 -154.812 -41.6834 -3.81431 -52.6219 87.8381 -5.02266 PRESSAVG: 1664600 2.54457 -63.4478 -56.9917 -63.4479 7.27359 54.2098 -56.9917 54.2098 4.56665 GPRESSAVG: 1664600 3.03097 -66.1793 -57.5127 -62.8442 6.67321 53.0018 -58.7613 54.874 4.55139 TIMING: 1664600 CPU: 5244.25, 0.00318621/step Wall: 5244.25, 0.00318621/step, 2.95202 hours remaining, 239.324219 MB of memory in use. ENERGY: 1664600 3969.1534 20580.7008 14446.2061 241.0021 -203069.1026 2625.7850 0.0000 0.0000 52017.6530 -109188.6022 298.9462 -161206.2552 -108829.3604 299.3216 -50.9685 -19.8596 763553.1649 4.7949 4.7519 PRESSURE: 1664800 -39.9111 132.464 115.958 132.464 -78.9107 -77.7614 115.957 -77.761 94.2078 GPRESSURE: 1664800 -0.435582 156.695 96.8786 43.5204 -23.0064 -100.896 -43.8075 -51.3418 72.904 PRESSAVG: 1664800 -11.6951 -32.3421 -36.2657 -32.3421 29.0002 -1.42671 -36.2657 -1.42678 -3.34221 GPRESSAVG: 1664800 -12.6387 -31.6553 -37.4991 -32.6847 27.9112 -0.997628 -34.6369 -1.52503 -2.03669 TIMING: 1664800 CPU: 5244.89, 0.00320054/step Wall: 5244.89, 0.00320054/step, 2.96512 hours remaining, 239.324219 MB of memory in use. ENERGY: 1664800 3980.4804 20636.7269 14454.3879 233.9965 -203221.1522 2669.2475 0.0000 0.0000 52043.8159 -109202.4971 299.0965 -161246.3130 -108837.7443 300.1532 -8.2047 16.4873 762648.0011 4.6543 4.4119 PRESSURE: 1665000 -229.494 -61.1974 -29.3608 -61.1975 -409.101 -199.558 -29.3611 -199.556 -188.525 GPRESSURE: 1665000 -205.526 -77.6947 -64.0329 -30.3083 -360.17 -68.7072 28.0175 -27.2525 -170.981 PRESSAVG: 1665000 -32.5673 -47.9499 -27.2201 -47.9499 16.4876 -15.8682 -27.2201 -15.8681 -8.19088 GPRESSAVG: 1665000 -32.9415 -46.8437 -25.1867 -49.0345 17.63 -14.0195 -27.1599 -14.2583 -8.81951 TIMING: 1665000 CPU: 5245.53, 0.00318159/step Wall: 5245.53, 0.00318159/step, 2.94739 hours remaining, 239.324219 MB of memory in use. ENERGY: 1665000 4017.1832 20691.2701 14416.1534 249.3311 -202858.6283 2292.6167 0.0000 0.0000 52162.9327 -109029.1411 299.7811 -161192.0738 -108668.5798 300.5247 -275.7068 -245.5592 762131.9849 -8.0902 -8.0437 PRESSURE: 1665200 148.215 -55.5801 -196.074 -55.5807 215.926 20.6866 -196.074 20.6867 -169.814 GPRESSURE: 1665200 244.544 -116.752 -173.075 -142.253 235.749 -16.7098 -217.641 -40.2115 -207.116 PRESSAVG: 1665200 13.3976 -13.797 8.73207 -13.797 13.2832 32.0573 8.73208 32.0573 -17.2535 GPRESSAVG: 1665200 14.0882 -13.8601 8.925 -14.342 14.0594 31.2716 7.22686 29.8558 -18.3768 TIMING: 1665200 CPU: 5246.16, 0.00316599/step Wall: 5246.16, 0.00316599/step, 2.93276 hours remaining, 239.324219 MB of memory in use. ENERGY: 1665200 4005.6961 20470.9627 14439.4808 268.6261 -203440.6016 2483.8579 0.0000 0.0000 52682.7802 -109089.1978 302.7687 -161771.9780 -108720.7508 300.6989 64.7755 91.0594 761438.5398 3.1424 3.2569 PRESSURE: 1665400 20.3268 -30.6091 -5.77386 -30.6096 111.797 35.7651 -5.77444 35.7643 -98.9676 GPRESSURE: 1665400 -28.257 -100.758 -12.174 -61.0137 131.818 65.2416 -18.1618 115.52 17.9488 PRESSAVG: 1665400 7.90202 10.1444 -5.22028 10.1444 -20.937 -6.20194 -5.22032 -6.20185 -7.60477 GPRESSAVG: 1665400 8.05307 9.31754 -6.69379 11.904 -21.7002 -7.47537 -3.4562 -4.45773 -7.01457 TIMING: 1665400 CPU: 5246.8, 0.00319006/step Wall: 5246.8, 0.00319006/step, 2.95488 hours remaining, 239.324219 MB of memory in use. ENERGY: 1665400 3971.6366 20691.5457 14489.7014 255.4608 -203354.8826 2637.7311 0.0000 0.0000 52300.7874 -109008.0196 300.5733 -161308.8070 -108655.5867 300.5845 11.0520 40.5033 760871.3431 -6.8799 -6.8872 PRESSURE: 1665600 271.638 -146.033 -79.4938 -146.034 379.457 271.291 -79.4937 271.29 25.8951 GPRESSURE: 1665600 345.041 -201.728 -59.1067 -152.571 393.54 241.128 -100.856 261.569 28.7747 PRESSAVG: 1665600 -21.8737 -49.4785 -24.0094 -49.4785 68.9114 -9.51255 -24.0094 -9.5125 -5.65846 GPRESSAVG: 1665600 -21.7637 -50.1703 -23.9135 -51.2558 68.1789 -7.18972 -24.8177 -10.9756 -4.72834 TIMING: 1665600 CPU: 5247.43, 0.00317206/step Wall: 5247.43, 0.00317206/step, 2.93803 hours remaining, 239.324219 MB of memory in use. ENERGY: 1665600 3978.5493 20447.1359 14443.8952 242.3179 -203133.5891 2617.9219 0.0000 0.0000 52202.1535 -109201.6154 300.0065 -161403.7688 -108840.0789 299.8872 225.6634 255.7852 760428.7352 13.7931 13.8956 PRESSURE: 1665800 177.387 -142.06 2.05606 -142.061 270.359 201.58 2.05568 201.58 70.7006 GPRESSURE: 1665800 252.352 -170.738 -60.1258 -27.6217 245.115 127.649 39.8868 180.675 76.6333 PRESSAVG: 1665800 32.6628 -68.1185 37.6783 -68.1186 4.52987 -52.694 37.6782 -52.694 -16.1687 GPRESSAVG: 1665800 32.9248 -67.7014 37.4939 -66.6174 4.37913 -52.9472 35.7717 -52.0121 -16.334 TIMING: 1665800 CPU: 5248.07, 0.00317364/step Wall: 5248.07, 0.00317364/step, 2.93932 hours remaining, 239.324219 MB of memory in use. ENERGY: 1665800 3956.6960 20662.6529 14514.0682 243.5655 -203240.9587 2659.5844 0.0000 0.0000 52066.6868 -109137.7049 299.2280 -161204.3918 -108775.8151 300.5128 172.8154 191.3668 764551.6636 7.0080 6.9900 PRESSURE: 1666000 129.748 240.516 49.0406 240.516 -220.926 -139.258 49.0414 -139.259 66.1007 GPRESSURE: 1666000 128.985 193.418 34.4434 138.694 -139.576 -98.1628 95.7374 -200.088 83.8561 PRESSAVG: 1666000 -26.8432 -22.5205 48.0889 -22.5204 -0.45066 -44.0718 48.0889 -44.0717 -1.00921 GPRESSAVG: 1666000 -27.7765 -21.7964 46.2795 -23.0721 -0.202556 -44.3759 51.9969 -46.554 -0.328839 TIMING: 1666000 CPU: 5248.7, 0.00317873/step Wall: 5248.7, 0.00317873/step, 2.94386 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1666000 3987.3218 20376.1759 14506.8026 248.7245 -202878.9907 2530.6202 0.0000 0.0000 52171.5863 -109057.7595 299.8308 -161229.3458 -108690.3764 300.1300 -8.3592 24.4215 762272.9115 -9.4343 -9.4360 PRESSURE: 1666200 442.287 98.118 -89.8582 98.1177 252.765 -231.422 -89.8571 -231.423 -173.507 GPRESSURE: 1666200 377.776 64.6442 -207.313 62.7014 296.954 -188.514 -128.036 -158.687 -87.3799 PRESSAVG: 1666200 4.58135 -63.0486 2.60712 -63.0486 48.8565 -25.9722 2.60711 -25.9723 -39.4994 GPRESSAVG: 1666200 5.94953 -61.1925 3.50313 -63.4745 47.3858 -26.6466 2.23526 -25.1151 -39.5832 TIMING: 1666200 CPU: 5249.33, 0.00315276/step Wall: 5249.33, 0.00315276/step, 2.91963 hours remaining, 239.324219 MB of memory in use. ENERGY: 1666200 4012.1843 20557.8326 14445.9972 222.7637 -203029.5345 2648.3945 0.0000 0.0000 52136.0409 -109006.3214 299.6265 -161142.3623 -108641.0371 300.2065 173.8484 195.7836 760292.9956 4.6461 4.5841 PRESSURE: 1666400 146.278 -55.2202 169.382 -55.2198 71.9135 -77.6636 169.382 -77.6632 210.49 GPRESSURE: 1666400 158.352 -84.7081 161.974 66.9181 98.5012 -121.004 107.89 -67.4998 243.743 PRESSAVG: 1666400 21.8024 -53.0828 -24.5775 -53.0829 26.8447 -22.2389 -24.5775 -22.2388 -8.3372 GPRESSAVG: 1666400 20.825 -54.7317 -25.6441 -52.8005 28.0862 -23.0749 -25.4054 -19.8497 -8.62591 TIMING: 1666400 CPU: 5249.97, 0.00318088/step Wall: 5249.97, 0.00318088/step, 2.9455 hours remaining, 239.324219 MB of memory in use. ENERGY: 1666400 4023.3860 20366.9409 14438.6447 253.5360 -202993.3365 2701.5110 0.0000 0.0000 52139.7171 -109069.6008 299.6477 -161209.3179 -108696.2315 300.2227 142.8936 166.8653 762122.0030 13.4366 13.4284 PRESSURE: 1666600 286.343 -159.461 -13.6339 -159.462 99.9672 -165.199 -13.6342 -165.2 32.1302 GPRESSURE: 1666600 314.531 -296.074 -5.69977 -261.947 88.3417 -131.59 -18.1364 -167.436 109.762 PRESSAVG: 1666600 6.55056 -95.0684 -14.4793 -95.0684 -5.45725 12.4327 -14.4794 12.4327 -32.0646 GPRESSAVG: 1666600 6.04296 -95.9727 -13.4282 -96.24 -5.72651 14.4621 -14.7401 10.3009 -31.2365 TIMING: 1666600 CPU: 5250.61, 0.00318503/step Wall: 5250.61, 0.00318503/step, 2.94916 hours remaining, 239.324219 MB of memory in use. ENERGY: 1666600 4010.1262 20469.7260 14456.7507 239.1732 -203042.2829 2812.3649 0.0000 0.0000 51994.8729 -109059.2690 298.8152 -161054.1419 -108698.0368 299.9601 139.4801 170.8783 763387.0914 -10.3238 -10.3067 PRESSURE: 1666800 -85.8152 -119.792 281.257 -119.792 -310.409 -237.19 281.259 -237.19 15.425 GPRESSURE: 1666800 -155.766 -176.854 291.08 -179.167 -161.126 -239.946 377.473 -139.966 -3.84321 PRESSAVG: 1666800 -23.2328 -46.4228 -14.6176 -46.4228 31.6457 40.1062 -14.6176 40.1062 -7.63463 GPRESSAVG: 1666800 -22.6799 -45.3021 -14.1741 -44.8999 31.1079 39.3847 -14.5953 41.3802 -8.30344 TIMING: 1666800 CPU: 5251.24, 0.00316301/step Wall: 5251.24, 0.00316301/step, 2.9286 hours remaining, 239.324219 MB of memory in use. ENERGY: 1666800 4013.6183 20576.6256 14422.9783 253.2289 -203114.7566 2592.9351 0.0000 0.0000 52233.1107 -109022.2598 300.1844 -161255.3705 -108661.6807 300.3157 -126.9331 -106.9115 763457.2828 0.2594 0.0415 PRESSURE: 1667000 -401.633 -16.5129 -205.589 -16.5117 -11.6847 -20.0549 -205.59 -20.0562 -178.667 GPRESSURE: 1667000 -312.482 47.6415 -231.828 -116.32 -12.8562 43.167 -155.858 137.055 -165.584 PRESSAVG: 1667000 -19.7167 -26.2644 -32.4775 -26.2644 45.9323 -12.7752 -32.4776 -12.7752 -1.7086 GPRESSAVG: 1667000 -20.458 -27.4562 -31.29 -29.0914 46.9342 -13.7137 -30.9213 -11.5835 -1.70995 TIMING: 1667000 CPU: 5251.87, 0.0031793/step Wall: 5251.87, 0.0031793/step, 2.9435 hours remaining, 239.324219 MB of memory in use. ENERGY: 1667000 3982.6462 20531.5608 14491.8550 249.9140 -202819.1181 2361.2309 0.0000 0.0000 52204.5351 -108997.3760 300.0202 -161201.9111 -108634.1375 300.7130 -197.3283 -163.6409 763138.6682 8.1690 8.2554 PRESSURE: 1667200 89.8206 -279.852 72.2515 -279.852 283.675 46.7096 72.2518 46.7097 472.49 GPRESSURE: 1667200 80.9752 -247.97 171.399 -212.781 292.889 8.4719 -39.6365 100.136 539.603 PRESSAVG: 1667200 -3.32599 -24.5051 4.48931 -24.5051 25.7864 -7.19832 4.48933 -7.19835 0.749356 GPRESSAVG: 1667200 -4.17334 -23.179 3.17498 -21.2817 25.7097 -5.64536 2.93242 -8.12548 1.09894 TIMING: 1667200 CPU: 5252.51, 0.00319707/step Wall: 5252.51, 0.00319707/step, 2.95978 hours remaining, 239.324219 MB of memory in use. ENERGY: 1667200 3955.1047 20583.6390 14457.8307 242.1427 -203481.7925 2877.3394 0.0000 0.0000 52379.4339 -108986.3021 301.0253 -161365.7360 -108624.6160 300.5788 281.9953 304.4891 764447.2595 7.7366 7.5451 PRESSURE: 1667400 -328.287 5.70116 120.375 5.70021 0.683118 66.21 120.375 66.2098 -196.93 GPRESSURE: 1667400 -300.47 5.01398 119.697 -0.900479 -2.62141 49.9555 79.8644 -15.8684 -154.85 PRESSAVG: 1667400 -38.9192 -54.6107 -48.9199 -54.6107 24.7272 43.4555 -48.9199 43.4555 8.77692 GPRESSAVG: 1667400 -37.5316 -54.0123 -47.0549 -55.9579 24.1966 43.4855 -49.1318 43.7316 7.88375 TIMING: 1667400 CPU: 5253.15, 0.00318866/step Wall: 5253.15, 0.00318866/step, 2.95181 hours remaining, 239.324219 MB of memory in use. ENERGY: 1667400 4084.5505 20646.0970 14469.6218 241.9696 -203396.1137 2387.2987 0.0000 0.0000 52405.3678 -109161.2081 301.1744 -161566.5759 -108806.4242 300.4169 -174.8447 -152.6471 762793.0488 -1.8050 -1.8171 PRESSURE: 1667600 -54.9066 27.3178 -68.0252 27.3182 164.552 -205.564 -68.0256 -205.564 -19.7533 GPRESSURE: 1667600 53.1872 31.3314 -118.422 72.0076 191.649 -136.055 -173.798 -184.407 -71.0696 PRESSAVG: 1667600 14.4659 -59.0823 42.2079 -59.0823 -13.7558 -20.8827 42.208 -20.8827 -1.95781 GPRESSAVG: 1667600 14.946 -60.092 41.2928 -57.4467 -14.885 -20.1186 40.5484 -20.7217 -0.86717 TIMING: 1667600 CPU: 5253.79, 0.00320255/step Wall: 5253.79, 0.00320255/step, 2.96449 hours remaining, 239.324219 MB of memory in use. ENERGY: 1667600 4076.0396 20490.6897 14460.5113 260.6951 -203312.7124 2587.1687 0.0000 0.0000 52294.0211 -109143.5869 300.5345 -161437.6080 -108787.3806 300.3000 29.9641 57.9222 763593.6554 -0.4159 -0.2687 PRESSURE: 1667800 -70.7004 -50.935 -39.9288 -50.9354 200.79 -55.0821 -39.9279 -55.0824 -171.58 GPRESSURE: 1667800 29.5721 60.8498 -103.331 -93.7984 164.769 -37.6709 134.548 -77.5951 -158.681 PRESSAVG: 1667800 31.0067 -5.68906 18.0359 -5.68898 25.2307 -32.2027 18.0359 -32.2027 -0.0462168 GPRESSAVG: 1667800 29.937 -4.94422 16.9404 -7.66474 26.2169 -33.9395 20.7523 -32.6875 0.507751 TIMING: 1667800 CPU: 5254.43, 0.00319714/step Wall: 5254.43, 0.00319714/step, 2.95931 hours remaining, 239.324219 MB of memory in use. ENERGY: 1667800 3995.1823 20446.1489 14488.0946 233.6548 -203033.3432 2487.5960 0.0000 0.0000 52030.9197 -109351.7468 299.0224 -161382.6666 -108989.4329 300.1475 -13.8302 11.8867 763115.1452 18.7304 18.8872 PRESSURE: 1668000 110.783 -42.6278 -78.1378 -42.628 62.6252 101.683 -78.1373 101.683 176.618 GPRESSURE: 1668000 266.159 7.07634 -115.024 -109.612 19.2172 105.632 -116.769 -5.86061 151.108 PRESSAVG: 1668000 43.2313 -53.0983 15.8484 -53.0983 -43.9242 16.6974 15.8485 16.6974 17.8506 GPRESSAVG: 1668000 43.5094 -52.8518 16.3802 -52.1357 -43.3284 16.869 16.3452 15.4909 16.6521 TIMING: 1668000 CPU: 5255.07, 0.00319839/step Wall: 5255.07, 0.00319839/step, 2.96028 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1668000 4024.9515 20465.9865 14572.6441 244.3753 -203263.4430 2529.3838 0.0000 0.0000 52125.9004 -109300.2015 299.5683 -161426.1019 -108936.5196 299.7817 116.6752 145.4950 761893.4098 5.7193 5.6110 PRESSURE: 1668200 -214.019 95.3005 5.8757 95.3002 -162.911 145.279 5.87512 145.278 17.3157 GPRESSURE: 1668200 -134.313 187.293 -28.1406 -52.3216 -130.814 210.133 -48.7642 123.375 -12.2983 PRESSAVG: 1668200 14.8164 -52.8564 65.8169 -52.8563 -28.4593 19.0315 65.8169 19.0315 -25.9197 GPRESSAVG: 1668200 13.3065 -53.562 64.9682 -51.3535 -28.3953 19.6943 65.6016 19.4158 -24.5296 TIMING: 1668200 CPU: 5255.7, 0.00316183/step Wall: 5255.7, 0.00316183/step, 2.92627 hours remaining, 239.324219 MB of memory in use. ENERGY: 1668200 3997.7501 20487.3451 14466.2955 259.7684 -203343.1485 2653.6609 0.0000 0.0000 52050.1597 -109428.1687 299.1330 -161478.3284 -109072.7937 299.6999 -119.8715 -92.4750 762937.9892 -13.1875 -13.2061 LDB: ============= START OF LOAD BALANCING ============== 5268.1 LDB: ============== END OF LOAD BALANCING =============== 5268.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5268.11 LDB: ============= START OF LOAD BALANCING ============== 5268.42 LDB: Largest compute 7034 load 0.032551 is 16.6% of average load 0.196033 LDB: Average compute 0.004386 is 2.2% of average load 0.196033 LDB: TIME 5268.43 LOAD: AVG 0.196033 MAX 0.217664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.816 MB LDB: TIME 5268.43 LOAD: AVG 0.196033 MAX 0.217664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.816 MB LDB: TIME 5268.43 LOAD: AVG 0.196033 MAX 0.217664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.816 MB LDB: ============== END OF LOAD BALANCING =============== 5268.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5268.43 PRESSURE: 1668400 314.285 188.287 -11.7137 188.288 87.3034 -189.294 -11.7125 -189.294 -161.171 GPRESSURE: 1668400 351.562 15.7441 -75.7962 139.896 64.2578 -191.914 -44.8654 -270.402 -102.64 PRESSAVG: 1668400 9.02527 -27.0935 21.1062 -27.0935 2.869 4.37009 21.1061 4.37004 1.80147 GPRESSAVG: 1668400 9.94573 -28.9535 22.8136 -29.1217 2.8559 3.04457 20.8331 5.27736 1.35488 TIMING: 1668400 CPU: 5256.35, 0.00323599/step Wall: 5256.35, 0.00323599/step, 2.99473 hours remaining, 239.121094 MB of memory in use. ENERGY: 1668400 3999.0497 20695.2682 14469.9460 270.5723 -203684.8305 2861.7015 0.0000 0.0000 51974.1096 -109414.1833 298.6959 -161388.2928 -109055.8187 299.4651 80.1393 104.3933 761703.4552 4.5652 4.7188 PRESSURE: 1668600 -184.344 -139.463 -77.6595 -139.463 122.631 172.225 -77.66 172.224 135.816 GPRESSURE: 1668600 -4.80516 -104.227 -134.051 -122.146 115.749 168.359 -98.6297 199.266 36.6332 PRESSAVG: 1668600 -21.0386 -48.106 -37.8135 -48.1061 -29.8904 -13.717 -37.8135 -13.7169 7.02812 GPRESSAVG: 1668600 -19.7676 -45.3463 -40.8187 -49.0373 -30.0298 -12.3189 -37.8216 -14.8964 5.42485 TIMING: 1668600 CPU: 5256.99, 0.00317596/step Wall: 5256.99, 0.00317596/step, 2.939 hours remaining, 239.324219 MB of memory in use. ENERGY: 1668600 3968.6289 20245.3933 14496.8026 255.2410 -203034.1301 2392.5511 0.0000 0.0000 52265.3422 -109410.1709 300.3696 -161675.5131 -109047.3109 299.4454 24.7011 49.1923 761302.5297 -14.6336 -14.7909 PRESSURE: 1668800 45.8233 -286.19 -46.3415 -286.19 -55.5775 27.2932 -46.3408 27.2923 -395.616 GPRESSURE: 1668800 161.841 -255.444 2.39085 -353.039 -93.4315 8.7419 53.7922 -74.7106 -393.014 PRESSAVG: 1668800 5.54023 5.45259 7.25779 5.45259 31.1982 8.72196 7.25783 8.72191 -6.6228 GPRESSAVG: 1668800 4.68226 3.5402 8.27015 6.89707 31.3155 8.49437 7.09777 8.15169 -5.33821 TIMING: 1668800 CPU: 5257.62, 0.00316483/step Wall: 5257.62, 0.00316483/step, 2.92852 hours remaining, 239.324219 MB of memory in use. ENERGY: 1668800 4017.3756 20557.6661 14458.7044 233.7199 -203539.5532 2470.0618 0.0000 0.0000 52140.8334 -109661.1921 299.6541 -161802.0256 -109300.6965 299.4433 -135.1235 -108.2014 760841.3648 10.0385 10.2198 PRESSURE: 1669000 -236.485 -284.595 129.939 -284.594 53.2882 221.327 129.94 221.328 -486.729 GPRESSURE: 1669000 -171.721 -244.495 74.3439 -276.607 56.8007 198.77 222.196 151.508 -467.774 PRESSAVG: 1669000 -8.8033 -21.8647 -8.76888 -21.8646 -1.16653 0.653624 -8.76887 0.653708 -48.4329 GPRESSAVG: 1669000 -10.4156 -20.2592 -9.91531 -21.3476 -0.179986 0.267271 -8.12376 0.893013 -47.8342 TIMING: 1669000 CPU: 5258.26, 0.00319388/step Wall: 5258.26, 0.00319388/step, 2.95523 hours remaining, 239.324219 MB of memory in use. ENERGY: 1669000 4012.8272 20565.9472 14435.2442 254.6547 -203541.8883 2717.2188 0.0000 0.0000 51904.1262 -109651.8699 298.2937 -161555.9961 -109288.9991 298.8829 -223.3083 -194.2312 760829.1395 -19.4676 -19.4766 PRESSURE: 1669200 -133.61 -23.6091 54.4403 -23.6094 -301.96 14.4156 54.4414 14.4163 -342.486 GPRESSURE: 1669200 -89.3046 11.1119 113.512 28.8503 -246.753 -48.8855 -40.1807 -83.1266 -336.985 PRESSAVG: 1669200 14.0532 -56.6007 25.7538 -56.6008 -6.82755 4.87122 25.7538 4.87126 9.02814 GPRESSAVG: 1669200 15.3751 -57.1712 27.572 -57.3552 -8.03667 5.47747 24.9691 4.41851 8.72768 TIMING: 1669200 CPU: 5258.89, 0.00316638/step Wall: 5258.89, 0.00316638/step, 2.92961 hours remaining, 239.324219 MB of memory in use. ENERGY: 1669200 3967.2608 20537.5887 14470.1508 241.5496 -203789.9163 2695.4126 0.0000 0.0000 52209.1036 -109668.8502 300.0464 -161877.9538 -109308.9411 299.0468 -259.3520 -224.3475 762235.8456 5.4179 5.3554 PRESSURE: 1669400 -435.47 -273.143 -228.194 -273.144 -222.469 -275.912 -228.193 -275.912 192.622 GPRESSURE: 1669400 -338.492 -80.5413 -236.772 -310.665 -267.849 -235.418 -219.719 -426.426 210.927 PRESSAVG: 1669400 2.95548 -30.6284 38.0184 -30.6285 1.91909 -15.7581 38.0184 -15.7581 2.90817 GPRESSAVG: 1669400 2.55691 -30.2144 37.2923 -31.7223 2.64159 -17.2172 39.5059 -14.3972 2.95277 TIMING: 1669400 CPU: 5259.53, 0.00319399/step Wall: 5259.53, 0.00319399/step, 2.95497 hours remaining, 239.324219 MB of memory in use. ENERGY: 1669400 3994.2073 20485.9071 14478.9775 246.9045 -203342.7831 2418.2090 0.0000 0.0000 51971.4574 -109747.1202 298.6807 -161718.5776 -109377.8125 299.4727 -155.1055 -131.8045 763205.7118 2.5942 2.7171 PRESSURE: 1669600 -353.313 43.1875 117.212 43.1869 -361.96 -130.163 117.213 -130.163 -212.023 GPRESSURE: 1669600 -313.473 -25.2712 85.6177 29.445 -348.347 -118.073 50.016 -58.4157 -177.025 PRESSAVG: 1669600 20.9641 -35.8956 -21.5363 -35.8956 -44.8659 53.3131 -21.5363 53.3131 -12.05 GPRESSAVG: 1669600 21.0312 -36.8263 -21.5965 -34.6369 -44.1082 54.9605 -22.8509 52.8597 -13.2127 TIMING: 1669600 CPU: 5260.17, 0.00319601/step Wall: 5260.17, 0.00319601/step, 2.95666 hours remaining, 239.324219 MB of memory in use. ENERGY: 1669600 4049.3792 20537.5866 14455.1775 239.2100 -203387.8139 2321.9704 0.0000 0.0000 51921.7600 -109862.7302 298.3951 -161784.4902 -109506.8547 298.6943 -309.0986 -279.6149 762837.1599 -11.9839 -12.0966 PRESSURE: 1669800 -190.92 -91.4923 -43.7396 -91.4925 16.6835 346.838 -43.7382 346.839 6.80973 GPRESSURE: 1669800 -113.762 -118.368 -72.4661 -223.375 -45.511 406.762 -50.0206 259.911 78.2861 PRESSAVG: 1669800 92.0883 12.6987 -33.6735 12.6987 -58.9545 -28.9113 -33.6735 -28.9112 2.13338 GPRESSAVG: 1669800 91.9969 12.5316 -33.3499 11.8113 -60.4672 -29.7115 -35.753 -28.2988 3.56731 TIMING: 1669800 CPU: 5260.8, 0.00317063/step Wall: 5260.8, 0.00317063/step, 2.93301 hours remaining, 239.324219 MB of memory in use. ENERGY: 1669800 3963.3301 20365.2485 14518.4501 260.2696 -203211.9188 2420.1922 0.0000 0.0000 51880.6149 -109803.8134 298.1586 -161684.4283 -109432.4694 298.6045 -55.8090 -26.9957 761781.8190 11.7557 11.6990 PRESSURE: 1670000 -151.741 -126.076 -131.292 -126.076 -18.1179 -88.327 -131.292 -88.3272 -455.655 GPRESSURE: 1670000 -123.596 -129.762 -105.656 -160.681 -28.765 -135.334 -281.284 -220.653 -406.946 PRESSAVG: 1670000 -8.74379 -49.6783 -41.4807 -49.6783 2.54313 -6.36114 -41.4806 -6.36111 -12.6996 GPRESSAVG: 1670000 -8.43251 -50.1481 -42.5079 -48.0722 2.4822 -7.04602 -38.4475 -6.65531 -13.4061 TIMING: 1670000 CPU: 5261.44, 0.00317997/step Wall: 5261.44, 0.00317997/step, 2.94147 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1670000 3998.2344 20614.4964 14500.3573 242.3586 -203144.9027 2394.0788 0.0000 0.0000 51749.9102 -109645.4670 297.4074 -161395.3772 -109286.8842 298.9751 -208.5047 -186.4358 762174.1558 -6.3001 -6.4521 PRESSURE: 1670200 148.97 5.73085 218.848 5.73118 -88.0001 65.5895 218.848 65.5892 79.0902 GPRESSURE: 1670200 98.8513 9.89546 237.303 12.3597 -13.9675 83.6901 98.7119 94.2309 148.702 PRESSAVG: 1670200 14.3828 -32.3401 19.6909 -32.3401 17.2181 -16.9721 19.6909 -16.972 10.5533 GPRESSAVG: 1670200 13.0339 -33.7353 19.4711 -32.1458 18.2995 -17.8167 21.6836 -15.4943 11.3115 TIMING: 1670200 CPU: 5262.08, 0.00320143/step Wall: 5262.08, 0.00320143/step, 2.96115 hours remaining, 239.324219 MB of memory in use. ENERGY: 1670200 3995.2682 20499.9281 14463.9736 230.3251 -203400.4478 2572.0469 0.0000 0.0000 51982.4130 -109656.4930 298.7436 -161638.9059 -109283.4953 298.9994 46.6866 77.8621 760914.1295 14.0514 14.2149 PRESSURE: 1670400 60.2877 90.1196 -13.4562 90.1196 124.728 48.8736 -13.4553 48.8723 -143.576 GPRESSURE: 1670400 112.305 153.245 -23.2974 6.44003 171.199 65.7122 -80.155 95.6944 -160.478 PRESSAVG: 1670400 78.9738 -13.4223 1.00609 -13.4223 -56.3159 -4.46851 1.00613 -4.46847 19.9643 GPRESSAVG: 1670400 80.8019 -12.7076 1.55881 -13.8399 -57.7161 -5.20554 -2.36453 -4.81361 19.254 TIMING: 1670400 CPU: 5262.72, 0.00318267/step Wall: 5262.72, 0.00318267/step, 2.94361 hours remaining, 239.324219 MB of memory in use. ENERGY: 1670400 4022.6292 20526.4013 14477.7169 252.0336 -203420.5398 2744.3192 0.0000 0.0000 51769.8751 -109627.5646 297.5222 -161397.4397 -109272.5206 298.9823 13.8131 41.0085 759897.4371 14.2074 14.1133 PRESSURE: 1670600 62.5199 142.147 -122.853 142.147 -477.262 -131.578 -122.853 -131.578 -319.48 GPRESSURE: 1670600 41.6932 72.8798 -16.0035 111.517 -455.82 -157.798 -70.0251 -184.324 -244.987 PRESSAVG: 1670600 -16.852 17.2233 77.1385 17.2234 21.6245 -11.5804 77.1386 -11.5804 -15.2096 GPRESSAVG: 1670600 -17.8834 19.3875 77.39 14.7397 21.99 -11.347 78.2957 -13.6286 -14.8109 TIMING: 1670600 CPU: 5263.35, 0.00317357/step Wall: 5263.35, 0.00317357/step, 2.93502 hours remaining, 239.324219 MB of memory in use. ENERGY: 1670600 3976.1515 20469.2173 14554.2609 250.6820 -203437.4738 2422.6294 0.0000 0.0000 51977.6284 -109786.9043 298.7161 -161764.5327 -109427.2723 299.1097 -244.7408 -219.7047 759385.2585 -3.4790 -3.5681 PRESSURE: 1670800 -267.233 -140.529 -89.7411 -140.529 -170.016 -38.2937 -89.7405 -38.2937 -247.87 GPRESSURE: 1670800 -238.966 -161.464 -75.5734 28.1272 -153.14 38.8742 49.3139 -63.3753 -210.031 PRESSAVG: 1670800 -12.2727 8.94745 -2.20653 8.94747 -7.11477 17.1625 -2.20654 17.1625 23.45 GPRESSAVG: 1670800 -12.7928 8.4673 -3.08699 11.0342 -7.79936 19.7454 -1.91598 18.777 24.4441 TIMING: 1670800 CPU: 5263.98, 0.00317425/step Wall: 5263.98, 0.00317425/step, 2.93548 hours remaining, 239.324219 MB of memory in use. ENERGY: 1670800 3973.2441 20388.5230 14449.4592 240.4532 -203281.2192 2457.3262 0.0000 0.0000 51976.2795 -109795.9339 298.7084 -161772.2134 -109438.9117 298.5225 -228.3731 -200.7123 761684.3839 1.3542 1.2840 PRESSURE: 1671000 35.7535 109.168 46.1127 109.169 -294.276 75.3739 46.112 75.3742 -300.534 GPRESSURE: 1671000 95.1964 81.5256 52.0239 129.49 -179.373 -0.949586 44.5439 140.451 -356.63 PRESSAVG: 1671000 -43.2482 19.1942 -4.45948 19.1942 27.0725 99.1541 -4.45944 99.1541 3.3042 GPRESSAVG: 1671000 -42.5371 17.506 -4.74082 19.807 28.2427 96.1342 -5.30914 100.198 1.80249 TIMING: 1671000 CPU: 5264.61, 0.00313676/step Wall: 5264.61, 0.00313676/step, 2.90063 hours remaining, 239.324219 MB of memory in use. ENERGY: 1671000 3962.7837 20518.7495 14427.6545 243.1595 -203390.4532 2479.9569 0.0000 0.0000 52001.9157 -109756.2333 298.8557 -161758.1490 -109389.1561 298.6518 -186.3523 -146.9355 760843.3422 -4.2905 -4.1640 PRESSURE: 1671200 -327.49 -253.678 -47.5145 -253.678 98.0343 -256.375 -47.5152 -256.375 63.3371 GPRESSURE: 1671200 -180.04 -212.576 -129.501 -230.343 -11.8442 -226.279 49.8895 -256.206 101.938 PRESSAVG: 1671200 -19.8824 33.5043 49.7853 33.5043 27.0359 28.6766 49.7853 28.6766 -3.14591 GPRESSAVG: 1671200 -20.5406 37.1552 50.7155 31.0839 26.877 29.636 49.1439 28.3226 -2.03576 TIMING: 1671200 CPU: 5265.25, 0.00318911/step Wall: 5265.25, 0.00318911/step, 2.94886 hours remaining, 239.324219 MB of memory in use. ENERGY: 1671200 3941.7496 20427.6379 14478.4772 246.3228 -203543.3946 2860.0180 0.0000 0.0000 52002.8998 -109586.2893 298.8614 -161589.1891 -109217.8650 299.1732 -55.3730 -29.9823 760653.2312 1.3359 1.4336 PRESSURE: 1671400 347.082 -113.648 -62.6842 -113.648 -137.865 113.596 -62.6848 113.596 327.587 GPRESSURE: 1671400 266.285 -2.84115 41.9585 -51.274 -29.0848 137.244 -24.8996 36.1689 382.86 PRESSAVG: 1671400 15.2534 -16.7275 8.28125 -16.7274 -19.5063 -25.7599 8.28125 -25.7599 3.22464 GPRESSAVG: 1671400 15.3873 -18.5223 8.34945 -14.7194 -19.2758 -25.9788 6.76225 -27.508 2.33195 TIMING: 1671400 CPU: 5265.88, 0.00316452/step Wall: 5265.88, 0.00316452/step, 2.92595 hours remaining, 239.324219 MB of memory in use. ENERGY: 1671400 3911.6473 20414.3495 14457.0546 253.5685 -203343.0258 2655.7556 0.0000 0.0000 52178.5387 -109472.1117 299.8708 -161650.6503 -109105.5285 299.1223 178.9347 206.6866 759416.3309 -0.3428 -0.5188 PRESSURE: 1671600 -474.687 42.9421 -22.765 42.9416 45.0241 -70.2182 -22.7655 -70.2172 124.068 GPRESSURE: 1671600 -318.419 70.921 23.9412 26.6497 35.9756 22.6268 5.21682 -14.1082 91.6125 PRESSAVG: 1671600 2.86696 25.0524 -4.47473 25.0524 -4.56776 50.6817 -4.47473 50.6817 0.393437 GPRESSAVG: 1671600 2.28254 24.9093 -4.55301 24.3847 -3.99035 52.4145 -2.48056 49.6875 0.713185 TIMING: 1671600 CPU: 5266.51, 0.0031436/step Wall: 5266.51, 0.00314359/step, 2.90643 hours remaining, 239.324219 MB of memory in use. ENERGY: 1671600 3972.9548 20380.5241 14530.8168 239.1123 -203131.4392 2375.5427 0.0000 0.0000 52277.5765 -109354.9120 300.4400 -161632.4885 -108987.5754 299.2502 -101.8649 -63.6102 759748.7986 -0.4358 -0.3315 PRESSURE: 1671800 55.108 -44.6288 145.248 -44.6294 175.834 -11.9789 145.248 -11.9791 153.784 GPRESSURE: 1671800 32.4231 -61.4565 262.22 37.4912 281.087 -30.3505 261.602 -37.7245 152.684 PRESSAVG: 1671800 -48.6712 -15.3885 34.8415 -15.3885 38.61 17.0689 34.8416 17.069 19.9611 GPRESSAVG: 1671800 -48.9044 -15.6719 34.6738 -14.8256 38.8784 15.461 33.3245 19.2432 19.8776 TIMING: 1671800 CPU: 5267.14, 0.00316622/step Wall: 5267.14, 0.00316622/step, 2.92717 hours remaining, 239.324219 MB of memory in use. ENERGY: 1671800 3949.9503 20463.8854 14457.7662 249.9257 -203292.3395 2609.8022 0.0000 0.0000 52072.5219 -109488.4878 299.2615 -161561.0097 -109132.2951 299.1774 128.2420 155.3982 759541.4767 3.3000 3.2838 PRESSURE: 1672000 -120.806 -17.2609 -68.0076 -17.2612 172.565 -154.914 -68.0071 -154.913 95.6534 GPRESSURE: 1672000 59.2373 92.3901 8.57375 18.5567 193.56 -127.296 -121.114 -131.535 -22.8343 PRESSAVG: 1672000 19.1766 -3.33993 15.8306 -3.33996 2.96767 16.8626 15.8307 16.8626 25.3451 GPRESSAVG: 1672000 21.804 -3.04599 17.9349 -3.24227 2.19548 16.9723 16.5773 17.3698 23.8026 TIMING: 1672000 CPU: 5267.78, 0.00316461/step Wall: 5267.78, 0.00316461/step, 2.92551 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1672000 3986.0912 20378.2744 14385.6069 260.1679 -203397.5596 2492.9948 0.0000 0.0000 52211.5693 -109682.8551 300.0606 -161894.4244 -109323.2863 299.0153 49.1373 76.6542 759815.4936 15.8298 15.9340 PRESSURE: 1672200 -303.165 -121.608 179.856 -121.608 35.1172 233.961 179.856 233.961 103.975 GPRESSURE: 1672200 -199.594 -5.19306 115.927 -30.2726 -17.7193 246.073 35.4845 296.738 145.182 PRESSAVG: 1672200 41.356 -87.4134 -22.073 -87.4133 3.59577 55.2825 -22.073 55.2825 -19.0264 GPRESSAVG: 1672200 40.1975 -86.7406 -24.5648 -85.9076 2.65493 55.0536 -22.6775 54.1596 -16.4657 TIMING: 1672200 CPU: 5268.41, 0.00318223/step Wall: 5268.41, 0.00318223/step, 2.94161 hours remaining, 239.324219 MB of memory in use. ENERGY: 1672200 3880.5093 20263.7863 14431.9963 242.1726 -203374.6626 2436.0263 0.0000 0.0000 52249.2002 -109870.9715 300.2769 -162120.1717 -109510.1236 298.6864 -54.6910 -24.0439 759685.2555 8.6418 8.7956 LDB: ============= START OF LOAD BALANCING ============== 5280.82 LDB: ============== END OF LOAD BALANCING =============== 5280.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5280.82 LDB: ============= START OF LOAD BALANCING ============== 5281.14 LDB: Largest compute 7033 load 0.033110 is 16.9% of average load 0.196032 LDB: Average compute 0.004408 is 2.2% of average load 0.196032 LDB: TIME 5281.14 LOAD: AVG 0.196032 MAX 0.216596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 5281.14 LOAD: AVG 0.196032 MAX 0.216596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: TIME 5281.14 LOAD: AVG 0.196032 MAX 0.216596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: ============== END OF LOAD BALANCING =============== 5281.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5281.15 PRESSURE: 1672400 151.124 -88.1295 -125.041 -88.1296 56.7634 113.994 -125.04 113.994 124.657 GPRESSURE: 1672400 261.033 -43.2738 -48.9107 -136.912 67.7037 227.084 -196.396 134.448 117.223 PRESSAVG: 1672400 34.0552 -15.5013 57.0578 -15.5013 -34.8711 17.2879 57.0579 17.288 19.3463 GPRESSAVG: 1672400 33.3145 -17.4006 59.4417 -15.3975 -33.6354 18.464 55.6762 14.7269 18.6 TIMING: 1672400 CPU: 5269.07, 0.00326401/step Wall: 5269.07, 0.00326401/step, 3.01703 hours remaining, 237.964844 MB of memory in use. ENERGY: 1672400 3974.9603 20484.9330 14503.9680 267.5888 -203412.2488 2692.1924 0.0000 0.0000 51807.4100 -109681.1963 297.7379 -161488.6063 -109324.9350 299.0802 110.8482 148.6535 759584.3577 6.1768 6.0930 PRESSURE: 1672600 -417.206 47.0559 176.184 47.0557 -525.995 77.506 176.184 77.5067 -43.5398 GPRESSURE: 1672600 -384.299 53.8145 131.908 -28.4214 -407.002 23.962 73.0795 79.8217 -93.8343 PRESSAVG: 1672600 9.12391 -62.7875 35.2097 -62.7875 -15.2315 9.22372 35.2097 9.22369 4.60143 GPRESSAVG: 1672600 9.28223 -62.8355 32.712 -64.8427 -14.9027 9.95694 35.6711 9.89445 4.49673 TIMING: 1672600 CPU: 5269.7, 0.00315492/step Wall: 5269.7, 0.00315492/step, 2.91602 hours remaining, 237.964844 MB of memory in use. ENERGY: 1672600 3988.1904 20469.4228 14448.9069 227.5390 -203387.9779 2512.1274 0.0000 0.0000 52024.2481 -109717.5433 298.9841 -161741.7913 -109353.8722 299.1309 -328.9136 -295.0451 761428.0510 -0.5020 -0.3746 PRESSURE: 1672800 -338.786 -13.2093 175.829 -13.209 -11.7315 19.0827 175.828 19.0821 15.7127 GPRESSURE: 1672800 -296.703 26.4782 324.132 -3.59087 -5.09884 15.1058 87.4343 60.4334 55.8806 PRESSAVG: 1672800 -24.3952 -9.32753 6.18106 -9.32756 5.41024 -38.6003 6.18107 -38.6002 28.6406 GPRESSAVG: 1672800 -24.3273 -8.30049 6.80432 -10.4267 5.04785 -40.0472 8.75195 -37.0036 28.7628 TIMING: 1672800 CPU: 5270.33, 0.00315429/step Wall: 5270.33, 0.00315429/step, 2.91527 hours remaining, 237.964844 MB of memory in use. ENERGY: 1672800 4009.7188 20539.2791 14408.8485 254.7084 -203191.4300 2316.5422 0.0000 0.0000 52029.7697 -109632.5632 299.0158 -161662.3330 -109270.2388 299.0054 -111.6017 -81.9739 761574.9287 3.2185 3.1611 PRESSURE: 1673000 -142.254 92.3683 -141.282 92.368 26.2767 -60.283 -141.282 -60.283 -46.9931 GPRESSURE: 1673000 -192.919 -18.5823 -205.68 143.021 115.574 26.9655 -135.249 -192.546 11.0752 PRESSAVG: 1673000 -34.0953 -44.3621 12.1421 -44.362 64.4618 6.58754 12.1421 6.58755 -21.8611 GPRESSAVG: 1673000 -34.688 -43.0708 11.2163 -45.1962 64.5443 7.63236 11.6957 5.81313 -21.2789 TIMING: 1673000 CPU: 5270.96, 0.00315485/step Wall: 5270.96, 0.00315485/step, 2.9156 hours remaining, 237.964844 MB of memory in use. ENERGY: 1673000 3909.4961 20652.3366 14450.6995 243.0026 -202793.2918 2092.7136 0.0000 0.0000 52067.6397 -109377.4037 299.2334 -161445.0434 -109017.7563 299.5292 -54.3235 -22.0903 761980.3164 2.8351 2.8591 PRESSURE: 1673200 -195.912 83.5084 194.319 83.5089 -126.104 -163.68 194.318 -163.679 -105.939 GPRESSURE: 1673200 -117.625 133.917 248.158 151.262 -93.5571 -189.381 218.538 64.2048 -134.373 PRESSAVG: 1673200 -31.1904 -41.508 4.53468 -41.508 51.0577 21.3355 4.53466 21.3356 7.05945 GPRESSAVG: 1673200 -31.0853 -42.5608 5.76482 -39.4827 50.1241 19.547 4.37233 23.1782 8.46686 TIMING: 1673200 CPU: 5271.59, 0.00314275/step Wall: 5271.59, 0.00314275/step, 2.90425 hours remaining, 237.964844 MB of memory in use. ENERGY: 1673200 3895.7343 20418.4709 14491.4215 237.9649 -203171.0843 2509.1749 0.0000 0.0000 52040.2724 -109578.0453 299.0762 -161618.3178 -109208.8696 299.6557 -142.6515 -115.1852 762221.5643 8.9756 9.1685 PRESSURE: 1673400 37.2654 104.768 -74.6709 104.768 1.72023 83.5061 -74.671 83.5065 -46.1617 GPRESSURE: 1673400 88.1474 35.3355 -141.501 147.645 53.6183 53.1325 -80.7611 160.437 -65.4267 PRESSAVG: 1673400 41.5037 13.0937 21.9211 13.0936 2.86394 60.4349 21.9211 60.4349 -3.48534 GPRESSAVG: 1673400 41.0472 13.3846 20.8368 12.4912 3.92834 61.5713 21.796 60.3436 -3.86275 TIMING: 1673400 CPU: 5272.22, 0.00315635/step Wall: 5272.22, 0.00315635/step, 2.91664 hours remaining, 237.964844 MB of memory in use. ENERGY: 1673400 4013.4741 20511.5748 14537.5940 271.8276 -203464.4319 2549.8857 0.0000 0.0000 51911.3150 -109668.7607 298.3350 -161580.0757 -109315.1333 299.0368 -2.3920 25.4463 761665.5843 13.6275 13.7043 PRESSURE: 1673600 -250.506 -86.4733 -51.8505 -86.4734 226.021 19.2114 -51.8505 19.2125 -234.142 GPRESSURE: 1673600 -172.389 -16.1625 -180.06 -58.8765 226.173 5.74811 54.6699 27.065 -211.652 PRESSAVG: 1673600 -31.7209 -1.86724 -9.87685 -1.86726 -1.19158 43.857 -9.87685 43.857 7.30344 GPRESSAVG: 1673600 -29.9928 -2.91714 -8.54202 -1.73275 -3.04922 45.1438 -9.5058 44.2362 7.59808 TIMING: 1673600 CPU: 5272.85, 0.00315457/step Wall: 5272.85, 0.00315457/step, 2.91482 hours remaining, 237.964844 MB of memory in use. ENERGY: 1673600 3984.6790 20317.7112 14427.7048 242.4989 -203641.8963 2574.2325 0.0000 0.0000 52252.8449 -109842.2251 300.2978 -162095.0699 -109479.7243 299.0883 -86.2089 -52.6226 760882.7982 -8.5363 -8.4813 PRESSURE: 1673800 93.0358 15.023 -5.98885 15.0229 47.1788 -1.32885 -5.98874 -1.32886 48.1504 GPRESSURE: 1673800 83.1545 54.4361 -114.173 29.527 145.267 -55.4303 -6.54057 53.156 49.3971 PRESSAVG: 1673800 10.5005 -33.7863 22.7459 -33.7864 -3.37968 51.2989 22.7458 51.299 18.5961 GPRESSAVG: 1673800 9.21042 -33.4567 21.803 -33.1728 -1.0508 51.2815 22.4976 49.3588 17.3651 TIMING: 1673800 CPU: 5273.48, 0.00314905/step Wall: 5273.48, 0.00314905/step, 2.90955 hours remaining, 237.964844 MB of memory in use. ENERGY: 1673800 3895.6419 20484.0529 14482.1363 264.6710 -203980.5979 2895.5385 0.0000 0.0000 51933.3036 -110025.2537 298.4614 -161958.5573 -109665.4637 298.7272 62.7883 92.6062 761160.2559 8.5723 8.5082 PRESSURE: 1674000 -578.902 -86.755 2.08576 -86.7557 -206.406 129.453 2.08661 129.453 -322.487 GPRESSURE: 1674000 -509.778 17.1609 98.4506 -220.008 -165.053 103.635 -31.6053 35.9536 -356.583 PRESSAVG: 1674000 -19.9061 -61.4303 -11.2391 -61.4303 2.48619 -8.23647 -11.2391 -8.23649 9.16348 GPRESSAVG: 1674000 -18.5573 -61.5829 -9.35177 -59.3991 1.43742 -8.39587 -13.1212 -7.05565 9.1644 TIMING: 1674000 CPU: 5274.11, 0.00316819/step Wall: 5274.11, 0.00316819/step, 2.92705 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1674000 4005.0424 20536.1795 14403.0462 242.2263 -203435.6287 2602.8880 0.0000 0.0000 51545.8311 -110100.4152 296.2346 -161646.2463 -109746.1206 298.5348 -369.2650 -343.8049 762026.3463 -2.7521 -2.6518 PRESSURE: 1674200 -165.509 40.9411 155.549 40.9407 116.621 -24.0029 155.55 -24.0032 43.578 GPRESSURE: 1674200 -70.7722 -51.8077 108.08 -71.5805 44.8027 -130.635 57.4564 -39.9318 91.6486 PRESSAVG: 1674200 11.4504 -55.3571 -18.2364 -55.3572 -50.7444 34.1723 -18.2364 34.1723 -15.0751 GPRESSAVG: 1674200 11.2583 -53.6918 -19.7495 -57.919 -50.7531 32.4608 -16.6607 33.5843 -14.422 TIMING: 1674200 CPU: 5274.74, 0.00314136/step Wall: 5274.74, 0.00314136/step, 2.9021 hours remaining, 237.964844 MB of memory in use. ENERGY: 1674200 3905.7459 20368.4057 14453.5904 233.4001 -203575.4854 2694.2185 0.0000 0.0000 51683.0066 -110237.1182 297.0229 -161920.1249 -109868.7290 298.0962 -1.7700 21.8930 762756.7905 -18.1230 -17.9723 PRESSURE: 1674400 150.711 56.7491 -183.044 56.7492 -291.697 34.252 -183.044 34.2529 -175.196 GPRESSURE: 1674400 136.466 -17.823 -196.006 -0.7438 -116.594 27.7661 -122.452 82.0742 -236.433 PRESSAVG: 1674400 62.39 -35.1243 51.1351 -35.1244 -54.4638 6.25815 51.1351 6.25818 -13.5703 GPRESSAVG: 1674400 61.8252 -37.1439 51.8004 -34.2008 -54.2712 7.70989 50.1044 6.32339 -13.2608 TIMING: 1674400 CPU: 5275.37, 0.00313244/step Wall: 5275.37, 0.00313243/step, 2.89367 hours remaining, 237.964844 MB of memory in use. ENERGY: 1674400 4001.9132 20264.4842 14500.0968 262.9172 -203906.4570 2716.9372 0.0000 0.0000 51923.5908 -110236.5176 298.4056 -162160.1084 -109876.1571 297.4894 -105.3939 -72.1870 759546.8642 -1.8814 -1.9023 PRESSURE: 1674600 -212.833 -232.34 272.583 -232.34 -231.961 -33.5099 272.583 -33.5106 -96.0578 GPRESSURE: 1674600 -198.571 -218.554 377.942 -200.364 -221.042 -192.116 212.996 85.2869 -54.2555 PRESSAVG: 1674600 34.552 -35.6349 25.6147 -35.6349 -71.0043 9.17482 25.6147 9.17478 4.59249 GPRESSAVG: 1674600 34.8404 -35.9501 26.2754 -35.0186 -71.0378 6.9863 26.5101 9.83452 3.82268 TIMING: 1674600 CPU: 5276, 0.00313594/step Wall: 5276, 0.00313594/step, 2.89674 hours remaining, 237.964844 MB of memory in use. ENERGY: 1674600 3980.5511 20423.9892 14470.0931 250.8771 -203376.4108 2252.0060 0.0000 0.0000 51562.6791 -110436.2152 296.3314 -161998.8943 -110079.6774 297.2782 -180.2840 -157.9562 762208.8913 -10.6199 -10.7916 PRESSURE: 1674800 -56.0924 14.5756 -1.9837 14.5765 55.9282 -119.914 -1.9834 -119.915 -220.65 GPRESSURE: 1674800 -11.7683 28.6555 57.4198 12.7013 92.2371 -92.9324 -107.57 -97.998 -215.266 PRESSAVG: 1674800 -18.7798 -90.6957 9.97125 -90.6957 -5.46195 10.77 9.97123 10.77 -22.3569 GPRESSAVG: 1674800 -19.0783 -90.2379 9.54475 -90.9918 -6.0964 12.0915 8.43873 10.8441 -21.353 TIMING: 1674800 CPU: 5276.62, 0.00313742/step Wall: 5276.62, 0.00313742/step, 2.89793 hours remaining, 237.964844 MB of memory in use. ENERGY: 1674800 3969.5530 20383.9991 14456.8277 254.9038 -203729.2857 2794.5179 0.0000 0.0000 51679.5782 -110189.9060 297.0032 -161869.4842 -109827.9036 297.3256 -73.6047 -44.9322 759973.5747 -15.5329 -15.5092 PRESSURE: 1675000 439.416 68.317 87.9095 68.3163 -216.56 86.6364 87.9102 86.6353 413.828 GPRESSURE: 1675000 428.403 2.50139 -0.245387 58.4359 -160.234 3.18285 185.311 50.5936 446.298 PRESSAVG: 1675000 -66.5432 -61.0222 -12.9842 -61.0222 39.6081 6.1958 -12.9842 6.19575 6.35287 GPRESSAVG: 1675000 -66.4561 -61.5009 -14.0818 -60.7508 39.9524 8.03554 -11.8164 3.90605 5.48164 TIMING: 1675000 CPU: 5277.26, 0.00316102/step Wall: 5277.26, 0.00316102/step, 2.91956 hours remaining, 237.964844 MB of memory in use. ENERGY: 1675000 3942.0919 20357.0902 14480.9611 259.4351 -203732.0709 2797.7122 0.0000 0.0000 51864.9953 -110029.7850 298.0688 -161894.7804 -109669.4828 297.8239 212.2280 238.1557 761129.4595 -6.8607 -7.0073 PRESSURE: 1675200 -109.471 -44.8309 -11.3735 -44.8302 -235.356 -163.302 -11.3732 -163.302 -254.212 GPRESSURE: 1675200 -161.204 -64.4895 -5.06356 -85.315 -75.2789 -134.384 -35.4941 -96.1487 -292.174 PRESSAVG: 1675200 -20.4346 -56.4775 15.0158 -56.4774 -16.7549 7.29289 15.0158 7.29294 -15.4905 GPRESSAVG: 1675200 -20.2487 -53.0511 13.7957 -56.258 -16.7953 4.64048 15.2884 8.45913 -15.7441 TIMING: 1675200 CPU: 5277.89, 0.00315481/step Wall: 5277.89, 0.00315481/step, 2.91364 hours remaining, 237.964844 MB of memory in use. ENERGY: 1675200 3959.2739 20326.7854 14454.9293 233.5712 -203457.0545 2628.8407 0.0000 0.0000 51774.2280 -110079.4260 297.5472 -161853.6541 -109709.2270 297.7195 -199.6797 -176.2190 763035.4759 -17.5600 -17.5961 PRESSURE: 1675400 -250.167 -9.47877 -16.6615 -9.4792 -235.118 -89.0551 -16.6616 -89.0556 -115.654 GPRESSURE: 1675400 -229.601 -149.217 -5.35842 -125.555 -179.335 -58.494 140.103 85.3846 -131.455 PRESSAVG: 1675400 7.61997 -42.2981 29.7138 -42.298 -29.9558 3.52342 29.7137 3.52345 31.302 GPRESSAVG: 1675400 8.22719 -45.9756 32.497 -40.9369 -30.3321 4.51241 30.9799 3.81685 31.0402 TIMING: 1675400 CPU: 5278.52, 0.00316779/step Wall: 5278.52, 0.00316779/step, 2.92546 hours remaining, 237.964844 MB of memory in use. ENERGY: 1675400 4047.8564 20437.7745 14446.4230 234.9579 -203239.5920 2416.5841 0.0000 0.0000 51692.9166 -109963.0796 297.0799 -161655.9962 -109605.3570 297.7851 -200.3127 -180.1304 761595.5475 2.9887 2.9785 PRESSURE: 1675600 179.055 -28.0642 -244.155 -28.0649 162.798 -107.779 -244.155 -107.779 -140.195 GPRESSURE: 1675600 220.071 -74.2654 -252.798 107.883 158.712 -82.4969 -379.668 -82.6835 -107.783 PRESSAVG: 1675600 0.233138 -29.2745 22.4358 -29.2745 -6.10869 -18.5472 22.4358 -18.5471 -14.6414 GPRESSAVG: 1675600 -1.1693 -29.5501 20.945 -29.3178 -6.30326 -16.7403 22.2724 -17.0053 -13.2746 TIMING: 1675600 CPU: 5279.15, 0.00314663/step Wall: 5279.15, 0.00314663/step, 2.90574 hours remaining, 237.964844 MB of memory in use. ENERGY: 1675600 3886.1527 20644.3631 14467.5623 248.3594 -203431.4563 2632.7862 0.0000 0.0000 51693.4090 -109858.8235 297.0827 -161552.2325 -109503.3808 298.0406 67.2192 90.3332 762018.9452 -6.8390 -6.9157 PRESSURE: 1675800 179.089 13.51 88.4881 13.5102 -59.0549 193.419 88.4885 193.418 -171.042 GPRESSURE: 1675800 279.76 16.5726 27.688 -42.4223 -54.4491 222.64 183.342 99.8835 -212.175 PRESSAVG: 1675800 5.1477 33.2004 19.6753 33.2003 12.6488 42.6475 19.6753 42.6475 3.31476 GPRESSAVG: 1675800 6.30458 34.8864 20.8231 32.3207 12.1605 41.94 16.7335 39.6886 2.6648 TIMING: 1675800 CPU: 5279.78, 0.00312888/step Wall: 5279.78, 0.00312888/step, 2.88918 hours remaining, 237.964844 MB of memory in use. ENERGY: 1675800 3974.9658 20360.0519 14345.5257 245.8381 -203639.8988 2793.4481 0.0000 0.0000 51883.5170 -110036.5523 298.1753 -161920.0693 -109680.4697 298.5181 -17.0027 4.3788 763077.1522 7.0371 7.0433 PRESSURE: 1676000 40.2705 -3.55295 20.9953 -3.5537 -162.199 -112.822 20.9952 -112.823 -204.844 GPRESSURE: 1676000 -83.4859 -120.752 118.957 -18.7468 -36.8179 -52.0647 80.7671 -75.8086 -121.334 PRESSAVG: 1676000 23.404 -41.9179 18.4665 -41.9179 -35.0545 -31.4958 18.4665 -31.4959 -2.98682 GPRESSAVG: 1676000 21.5821 -43.166 18.4412 -42.807 -33.4515 -32.2154 19.1201 -28.9273 -2.98712 TIMING: 1676000 CPU: 5280.4, 0.00312878/step Wall: 5280.4, 0.00312878/step, 2.8889 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1676000 3938.8861 20404.4370 14443.7692 263.5997 -203766.7796 2935.2276 0.0000 0.0000 51850.9775 -109929.8825 297.9883 -161780.8599 -109567.4368 298.5131 -108.9243 -80.5460 764423.6764 -4.8791 -4.9522 PRESSURE: 1676200 194.052 -126.22 57.2505 -126.22 123.984 -146.71 57.2505 -146.71 -15.5538 GPRESSURE: 1676200 250.256 -14.9978 72.5307 -154.747 82.8511 -122.305 -40.855 -199.667 37.1704 PRESSAVG: 1676200 14.7314 -64.9084 21.1977 -64.9084 -39.2084 -37.1406 21.1976 -37.1406 13.2237 GPRESSAVG: 1676200 15.0927 -64.1579 21.7131 -63.3721 -39.0177 -36.7578 19.7261 -36.3827 12.6966 TIMING: 1676200 CPU: 5281.03, 0.00314871/step Wall: 5281.03, 0.00314871/step, 2.90713 hours remaining, 237.964844 MB of memory in use. ENERGY: 1676200 3987.8636 20520.5171 14326.9420 233.7343 -203722.0757 2632.9716 0.0000 0.0000 52017.6840 -110002.3630 298.9463 -162020.0471 -109640.4935 297.9020 100.8273 123.4260 762252.4114 -3.7511 -3.7428 LDB: ============= START OF LOAD BALANCING ============== 5293.43 LDB: ============== END OF LOAD BALANCING =============== 5293.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5293.43 LDB: ============= START OF LOAD BALANCING ============== 5293.75 LDB: Largest compute 7033 load 0.032401 is 16.5% of average load 0.195978 LDB: Average compute 0.004391 is 2.2% of average load 0.195978 LDB: TIME 5293.75 LOAD: AVG 0.195978 MAX 0.215912 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.918 MB LDB: TIME 5293.75 LOAD: AVG 0.195978 MAX 0.215912 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.957 MB LDB: TIME 5293.75 LOAD: AVG 0.195978 MAX 0.215912 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.957 MB LDB: ============== END OF LOAD BALANCING =============== 5293.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5293.76 PRESSURE: 1676400 325.01 29.7441 72.9439 29.745 -201.381 -3.13995 72.945 -3.13952 -97.0168 GPRESSURE: 1676400 275.909 -43.2473 -65.2613 5.55165 -80.6169 32.6654 90.5702 -0.612126 -83.5718 PRESSAVG: 1676400 -11.4805 -13.5145 25.0581 -13.5146 -15.0623 -41.5126 25.0581 -41.5125 7.97437 GPRESSAVG: 1676400 -11.7598 -14.6734 23.142 -14.4037 -16.0094 -42.5924 27.4856 -42.7735 9.02895 TIMING: 1676400 CPU: 5281.67, 0.00321984/step Wall: 5281.67, 0.00321984/step, 2.97263 hours remaining, 238.535156 MB of memory in use. ENERGY: 1676400 3972.9070 20445.2152 14413.1028 245.6203 -203913.0552 2946.3574 0.0000 0.0000 51939.7013 -109950.1512 298.4982 -161889.8525 -109598.0105 298.5040 8.8705 37.2402 762148.3816 -6.1895 -6.2467 PRESSURE: 1676600 -277.426 -98.5321 -85.0404 -98.5323 -265.245 -245.396 -85.0411 -245.395 -70.8046 GPRESSURE: 1676600 -279.722 -117.145 -50.253 -128.327 -159.076 -215.391 14.0782 -248.923 -85.8917 PRESSAVG: 1676600 1.17102 -51.5865 6.99371 -51.5865 25.4619 0.66956 6.99372 0.669633 4.87518 GPRESSAVG: 1676600 0.499191 -50.9609 7.32759 -52.3656 25.2855 2.16117 5.76877 -0.255351 5.34012 TIMING: 1676600 CPU: 5282.3, 0.003141/step Wall: 5282.3, 0.003141/step, 2.89967 hours remaining, 238.679688 MB of memory in use. ENERGY: 1676600 3910.5628 20462.2358 14415.3264 253.1618 -203750.8717 2830.5627 0.0000 0.0000 51948.9100 -109930.1123 298.5511 -161879.0223 -109560.2057 297.7546 -204.4916 -174.8966 763498.7445 10.5027 10.3749 PRESSURE: 1676800 -313.498 223.828 -30.1472 223.829 -40.7022 -65.8893 -30.1476 -65.8889 -15.4439 GPRESSURE: 1676800 -234.571 87.2941 -19.2769 147.766 -14.6174 -118.537 -129.78 -105.539 -15.1349 PRESSAVG: 1676800 12.8731 -23.4497 5.69094 -23.4497 6.6383 -3.86319 5.69093 -3.86325 14.788 GPRESSAVG: 1676800 13.6309 -23.2351 6.37111 -23.4108 6.41278 -4.65222 7.50186 -3.91995 14.8972 TIMING: 1676800 CPU: 5282.93, 0.00314938/step Wall: 5282.93, 0.00314938/step, 2.90723 hours remaining, 238.679688 MB of memory in use. ENERGY: 1676800 3997.4525 20481.0261 14442.8239 259.7003 -203570.9375 2678.4810 0.0000 0.0000 51789.7954 -109921.6583 297.6367 -161711.4537 -109567.0286 298.3936 -123.2147 -88.1077 763955.8896 11.4331 11.6470 PRESSURE: 1677000 -114.923 -135.278 -81.4632 -135.278 -187.068 184.182 -81.4643 184.184 -276.87 GPRESSURE: 1677000 -80.4936 -55.7897 -89.3999 -93.0336 -186.341 278.27 40.3453 112.042 -226.712 PRESSAVG: 1677000 10.2556 -41.8308 -41.0721 -41.8308 1.69977 -3.73027 -41.072 -3.73017 -0.22431 GPRESSAVG: 1677000 9.83517 -42.7038 -40.5756 -42.6736 3.03349 -4.3004 -43.2948 -3.28735 -1.27104 TIMING: 1677000 CPU: 5283.56, 0.00314394/step Wall: 5283.56, 0.00314394/step, 2.90203 hours remaining, 238.679688 MB of memory in use. ENERGY: 1677000 3995.1398 20538.6930 14475.7369 243.9242 -203407.5639 2291.8518 0.0000 0.0000 51907.6621 -109954.5562 298.3140 -161862.2183 -109590.4442 298.4859 -192.9536 -164.5156 761610.3034 3.9104 3.8659 PRESSURE: 1677200 -392.553 -205.009 13.1262 -205.01 -230.69 63.0357 13.1267 63.0356 -260.174 GPRESSURE: 1677200 -387.867 -140.278 85.1381 -35.106 -174.301 8.82107 94.4363 -126.558 -233.172 PRESSAVG: 1677200 -60.9418 -70.6719 8.99092 -70.672 36.483 9.85641 8.99092 9.85639 -21.0924 GPRESSAVG: 1677200 -61.1384 -70.2392 7.43485 -67.698 36.0211 11.4534 10.182 7.86712 -20.6265 TIMING: 1677200 CPU: 5284.19, 0.00315278/step Wall: 5284.19, 0.00315278/step, 2.91002 hours remaining, 238.679688 MB of memory in use. ENERGY: 1677200 3981.7916 20554.5509 14398.1041 251.0743 -203852.7418 2868.9762 0.0000 0.0000 52083.0966 -109715.1480 299.3223 -161798.2446 -109347.6424 298.4597 -294.4723 -265.1131 763822.9775 -15.1837 -15.2479 PRESSURE: 1677400 -221.253 -29.6045 105.546 -29.604 -406.341 -64.2308 105.545 -64.2298 139.258 GPRESSURE: 1677400 -156.588 -50.2884 30.369 47.6309 -396.953 -144.815 128.884 -65.7027 162.203 PRESSAVG: 1677400 15.1436 11.2421 0.331353 11.2422 18.6184 36.6818 0.331379 36.6818 -2.4302 GPRESSAVG: 1677400 15.9916 13.7349 0.956228 9.14275 18.5447 36.3899 0.944001 35.7191 -3.28994 TIMING: 1677400 CPU: 5284.82, 0.00315828/step Wall: 5284.82, 0.00315828/step, 2.91491 hours remaining, 238.679688 MB of memory in use. ENERGY: 1677400 4102.0399 20493.8434 14441.7599 247.8692 -203552.3192 2496.6656 0.0000 0.0000 52144.3354 -109625.8059 299.6742 -161770.1413 -109260.1858 298.9565 -162.7788 -130.4459 761528.0020 10.4439 10.4154 PRESSURE: 1677600 225.824 36.4046 58.9487 36.4039 66.5259 -93.7871 58.9483 -93.7878 -118.636 GPRESSURE: 1677600 197.502 -47.1086 29.7479 -49.4511 144.282 -134.528 74.2997 54.873 -85.0332 PRESSAVG: 1677600 -16.4004 -24.3692 11.6669 -24.3692 -4.83036 63.8433 11.6668 63.8434 8.73085 GPRESSAVG: 1677600 -17.0573 -27.1763 11.5047 -24.3346 -4.58873 63.4394 11.2275 65.5167 9.03376 TIMING: 1677600 CPU: 5285.46, 0.00315816/step Wall: 5285.46, 0.00315816/step, 2.91464 hours remaining, 238.679688 MB of memory in use. ENERGY: 1677600 4060.9167 20549.0818 14436.2265 256.2513 -203431.9597 2709.2891 0.0000 0.0000 51776.3165 -109643.8778 297.5592 -161420.1943 -109278.7724 299.0399 57.9045 85.5835 761071.0652 -4.1666 -4.2041 PRESSURE: 1677800 7.58005 98.9789 -86.5076 98.9776 -256.009 11.6203 -86.5072 11.6214 28.5326 GPRESSURE: 1677800 19.7829 25.9758 -85.4512 121.649 -227.499 57.2706 -149.52 -5.99187 88.7051 PRESSAVG: 1677800 -23.1212 2.90693 36.0195 2.90692 37.4906 20.8925 36.0195 20.8925 7.39423 GPRESSAVG: 1677800 -23.8701 1.54009 35.4014 3.78581 37.4605 21.1464 37.3112 21.5856 7.69384 TIMING: 1677800 CPU: 5286.09, 0.0031518/step Wall: 5286.09, 0.0031518/step, 2.90859 hours remaining, 238.679688 MB of memory in use. ENERGY: 1677800 3960.1217 20299.3475 14446.8306 251.8661 -203669.6478 2698.1851 0.0000 0.0000 52018.4724 -109994.8243 298.9509 -162013.2967 -109629.4579 298.5898 -73.2988 -39.6705 761093.0046 7.2546 7.0948 PRESSURE: 1678000 297.178 78.4826 -90.7194 78.481 39.2477 -111.16 -90.7193 -111.16 162.117 GPRESSURE: 1678000 307.745 27.5954 7.04025 50.7756 83.9555 -13.0058 -104.601 -36.1293 207.269 PRESSAVG: 1678000 -22.776 -6.18146 18.5729 -6.18146 32.0869 22.2547 18.5729 22.2548 12.8899 GPRESSAVG: 1678000 -22.5393 -3.6608 18.5749 -7.37791 32.2642 23.1659 17.7128 22.7647 12.8153 TIMING: 1678000 CPU: 5286.71, 0.0031428/step Wall: 5286.71, 0.0031428/step, 2.9001 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1678000 3984.4431 20279.1599 14404.6169 240.9279 -203389.7048 2652.1046 0.0000 0.0000 51857.7189 -109970.7334 298.0270 -161828.4523 -109613.1505 297.9609 166.1808 199.6563 758738.0582 7.4003 7.5134 PRESSURE: 1678200 -359.106 -103.611 49.7384 -103.611 -196.005 -99.4799 49.7391 -99.4799 -341.015 GPRESSURE: 1678200 -249.436 1.97208 -5.02511 -91.34 -235.785 -114.806 90.8369 -109.581 -319.533 PRESSAVG: 1678200 46.8563 -42.4256 27.4226 -42.4257 -24.3774 -7.14674 27.4226 -7.1467 -1.01585 GPRESSAVG: 1678200 48.1138 -41.8682 27.2006 -43.2812 -24.9489 -7.81622 28.0703 -7.31934 -1.35681 TIMING: 1678200 CPU: 5287.34, 0.00314859/step Wall: 5287.34, 0.00314859/step, 2.90527 hours remaining, 238.679688 MB of memory in use. ENERGY: 1678200 3980.6161 20391.4842 14430.8402 262.0460 -202803.2606 2150.6166 0.0000 0.0000 51585.1364 -110002.5212 296.4605 -161587.6576 -109644.3900 298.2184 -298.7089 -268.2510 763095.5462 7.1543 7.2694 PRESSURE: 1678400 146.45 36.208 191.222 36.2082 38.811 283.098 191.221 283.098 -128.828 GPRESSURE: 1678400 175.571 6.15568 124.791 -92.7335 74.9819 185.085 32.147 163.517 -131.421 PRESSAVG: 1678400 31.6467 -52.7725 62.0743 -52.7724 -25.7047 21.3895 62.0743 21.3895 -3.04023 GPRESSAVG: 1678400 30.4801 -53.0615 61.5143 -52.2272 -24.178 21.2345 60.9901 20.6396 -3.83899 TIMING: 1678400 CPU: 5287.98, 0.00316905/step Wall: 5287.98, 0.00316905/step, 2.92398 hours remaining, 238.679688 MB of memory in use. ENERGY: 1678400 3901.5553 20417.4653 14471.7783 252.8530 -203976.5151 2914.8182 0.0000 0.0000 52083.8606 -109934.1844 299.3267 -162018.0450 -109565.6036 298.2669 18.8110 39.7107 761166.0292 0.9673 0.8210 PRESSURE: 1678600 -186.67 -5.05158 2.12889 -5.0515 -236.343 -76.5261 2.12958 -76.5257 -384.323 GPRESSURE: 1678600 -226.076 -100.097 -89.1923 -105.368 -230.207 -93.6486 -25.9482 -64.8936 -271.904 PRESSAVG: 1678600 8.046 -19.0996 17.923 -19.0996 7.0607 -16.1438 17.923 -16.1439 -7.17358 GPRESSAVG: 1678600 7.69848 -20.0653 19.1879 -19.5536 5.67711 -15.3846 18.6019 -14.6438 -5.90406 TIMING: 1678600 CPU: 5288.61, 0.00316853/step Wall: 5288.61, 0.00316853/step, 2.92332 hours remaining, 238.679688 MB of memory in use. ENERGY: 1678600 4001.3256 20494.3026 14444.4559 271.8468 -203239.5390 2307.1455 0.0000 0.0000 51892.8525 -109827.6100 298.2289 -161720.4626 -109472.9013 298.6831 -269.1119 -242.7290 762061.1364 2.6444 2.4905 PRESSURE: 1678800 -78.5498 -232.149 -24.3058 -232.15 217.029 -142.008 -24.3068 -142.007 21.6235 GPRESSURE: 1678800 92.1595 -136.35 -88.44 -172.985 187.439 -132.931 -17.9251 -172.117 -28.2886 PRESSAVG: 1678800 -60.461 -46.029 -1.45576 -46.029 32.2529 2.64734 -1.45579 2.64732 -11.8266 GPRESSAVG: 1678800 -58.3771 -42.9667 -0.814071 -46.9522 30.6819 3.26348 -1.94882 1.84191 -11.9247 TIMING: 1678800 CPU: 5289.25, 0.00316756/step Wall: 5289.25, 0.00316756/step, 2.92225 hours remaining, 238.679688 MB of memory in use. ENERGY: 1678800 3916.8213 20325.5730 14368.2058 234.1613 -203326.3049 2626.6797 0.0000 0.0000 52082.4752 -109772.3886 299.3187 -161854.8639 -109407.5990 298.7828 53.3674 83.7701 761950.8319 -13.3449 -13.2066 PRESSURE: 1679000 143.21 -75.4707 -290.662 -75.4712 239.036 84.964 -290.661 84.9636 542.588 GPRESSURE: 1679000 99.7598 -28.6135 -232.707 -131.106 342.692 159.839 -189.852 24.0356 592.405 PRESSAVG: 1679000 -26.9543 -50.277 7.57492 -50.2769 22.3927 -56.0058 7.57491 -56.0057 -0.636549 GPRESSAVG: 1679000 -28.0773 -52.6313 6.76821 -48.4852 24.681 -56.9752 6.75345 -56.9817 -1.70491 TIMING: 1679000 CPU: 5289.88, 0.00317382/step Wall: 5289.88, 0.00317382/step, 2.92785 hours remaining, 238.679688 MB of memory in use. ENERGY: 1679000 3931.3566 20391.5673 14378.3312 237.2700 -203345.8046 2686.6219 0.0000 0.0000 51838.4271 -109882.2305 297.9162 -161720.6577 -109533.4877 298.4692 308.2779 344.9520 761510.5421 -1.7327 -1.7004 PRESSURE: 1679200 -154.771 294.643 -145.896 294.643 -91.5012 -58.2677 -145.897 -58.269 627.476 GPRESSURE: 1679200 -26.6178 287.741 -166.67 188.05 -70.2937 -97.159 -120.298 83.5396 574.465 PRESSAVG: 1679200 2.87121 -28.1332 -4.46849 -28.1332 -24.2902 -45.7407 -4.46853 -45.7407 -7.13466 GPRESSAVG: 1679200 2.28117 -29.0993 -4.75207 -29.3707 -24.6232 -44.6628 -3.27577 -45.345 -6.49204 TIMING: 1679200 CPU: 5290.52, 0.00318327/step Wall: 5290.52, 0.00318327/step, 2.93639 hours remaining, 238.679688 MB of memory in use. ENERGY: 1679200 3949.3826 20274.0234 14411.8573 245.3965 -203528.6514 2645.7212 0.0000 0.0000 52122.8270 -109879.4435 299.5506 -162002.2704 -109505.7165 298.7488 127.0681 159.1846 761827.4037 -9.5179 -9.6113 PRESSURE: 1679400 153.357 -110.709 211.126 -110.709 165.648 112.919 211.127 112.919 353.217 GPRESSURE: 1679400 210.917 -101.883 300.812 -148.813 127.534 197.356 152.861 31.421 419.82 PRESSAVG: 1679400 -18.017 -56.788 -26.6998 -56.788 28.3973 14.4757 -26.6998 14.4757 7.8819 GPRESSAVG: 1679400 -18.9397 -54.9102 -27.9647 -55.6757 28.2798 15.3112 -27.2435 13.9536 8.93806 TIMING: 1679400 CPU: 5291.15, 0.00316405/step Wall: 5291.15, 0.00316405/step, 2.91849 hours remaining, 238.679688 MB of memory in use. ENERGY: 1679400 3998.8970 20431.7910 14443.0163 239.9621 -203639.1024 2775.4624 0.0000 0.0000 51872.6076 -109877.3659 298.1126 -161749.9736 -109518.0271 298.2608 224.0741 252.7569 761002.8188 6.0874 6.0927 PRESSURE: 1679600 162.808 -235.586 49.6541 -235.586 -55.855 117.475 49.6539 117.475 517.567 GPRESSURE: 1679600 226.032 -267.98 43.2444 -277.074 -30.8146 66.0682 51.393 235.454 505.776 PRESSAVG: 1679600 28.2429 -36.444 17.9966 -36.4441 -25.5428 25.7705 17.9966 25.7705 -22.3968 GPRESSAVG: 1679600 28.9183 -35.8587 18.0428 -36.2328 -26.2013 23.039 19.2093 27.4062 -22.1658 TIMING: 1679600 CPU: 5291.79, 0.003179/step Wall: 5291.79, 0.003179/step, 2.93209 hours remaining, 238.679688 MB of memory in use. ENERGY: 1679600 3940.6686 20460.6947 14394.3094 242.6721 -203526.1783 2577.0630 0.0000 0.0000 51932.1429 -109978.6276 298.4547 -161910.7705 -109617.5406 298.2325 208.1734 233.6643 760900.7900 -6.5655 -6.4829 PRESSURE: 1679800 -259.657 152.901 173.23 152.901 -87.3841 4.6012 173.23 4.60095 -251.596 GPRESSURE: 1679800 -161.26 112.782 156.192 162.037 -112.19 19.4007 144.773 45.2385 -240.177 PRESSAVG: 1679800 15.2947 -23.3202 21.0108 -23.3202 -33.2908 1.75613 21.0108 1.75613 -5.41849 GPRESSAVG: 1679800 14.7731 -25.488 22.2329 -22.2275 -32.1282 3.4444 18.3897 2.30351 -6.01207 TIMING: 1679800 CPU: 5292.42, 0.00316179/step Wall: 5292.42, 0.00316179/step, 2.91605 hours remaining, 238.679688 MB of memory in use. ENERGY: 1679800 3942.8678 20631.7252 14427.0398 242.5136 -203388.6901 2352.2297 0.0000 0.0000 51872.0954 -109920.2185 298.1096 -161792.3139 -109568.8887 298.3754 -199.5458 -171.2090 760073.0796 -7.8049 -7.7891 PRESSURE: 1680000 384.308 -43.052 -131.82 -43.052 41.1774 -70.5216 -131.82 -70.5228 -112.109 GPRESSURE: 1680000 284.156 7.92926 -130.675 24.1973 179.105 -17.8835 -75.2263 -97.576 -53.0361 PRESSAVG: 1680000 -6.62914 -40.9203 -17.0527 -40.9204 10.0944 13.0365 -17.0526 13.0364 5.9104 GPRESSAVG: 1680000 -5.34925 -41.0001 -18.5082 -39.8725 9.1181 12.8372 -15.3767 12.3299 5.72757 TIMING: 1680000 CPU: 5293.06, 0.00319743/step Wall: 5293.06, 0.00319743/step, 2.94874 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1680000 4041.7140 20398.8447 14376.5909 231.5338 -203530.8938 2738.2855 0.0000 0.0000 51797.6028 -109946.3223 297.6815 -161743.9251 -109589.2893 298.0044 104.4589 136.7415 760041.0002 3.1252 3.1655 PRESSURE: 1680200 -119.341 -83.4442 102.704 -83.444 90.0099 177.392 102.704 177.392 468.849 GPRESSURE: 1680200 -59.6453 -5.45113 167.444 19.9182 66.4545 162.789 -92.6889 202.605 500.792 PRESSAVG: 1680200 -12.2507 9.63045 -12.9935 9.63046 18.8551 -43.1181 -12.9935 -43.1181 3.7771 GPRESSAVG: 1680200 -13.4538 11.1807 -12.7261 6.65526 19.519 -43.8452 -15.2524 -45.1634 4.11585 TIMING: 1680200 CPU: 5293.69, 0.00317919/step Wall: 5293.69, 0.00317919/step, 2.93174 hours remaining, 238.679688 MB of memory in use. ENERGY: 1680200 3963.9036 20510.7642 14448.4649 233.3905 -203520.3639 2538.2784 0.0000 0.0000 51759.1147 -110066.4476 297.4603 -161825.5623 -109703.0334 297.9972 146.5057 169.2006 761647.7526 3.4605 3.3937 LDB: ============= START OF LOAD BALANCING ============== 5306.09 LDB: ============== END OF LOAD BALANCING =============== 5306.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5306.09 LDB: ============= START OF LOAD BALANCING ============== 5306.41 LDB: Largest compute 7034 load 0.033726 is 17.2% of average load 0.195949 LDB: Average compute 0.004386 is 2.2% of average load 0.195949 LDB: TIME 5306.41 LOAD: AVG 0.195949 MAX 0.215544 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 5306.41 LOAD: AVG 0.195949 MAX 0.215544 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 5306.41 LOAD: AVG 0.195949 MAX 0.215544 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 5306.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5306.42 PRESSURE: 1680400 -307.713 31.2476 -11.7918 31.2476 -55.2008 -73.6184 -11.7915 -73.6188 -59.6412 GPRESSURE: 1680400 -254.745 -4.0406 10.0141 -23.7523 19.3225 -68.1522 -5.89805 -141.304 -96.762 PRESSAVG: 1680400 17.2303 -7.33826 77.7212 -7.33826 -15.7213 -25.7742 77.7212 -25.7742 8.91674 GPRESSAVG: 1680400 17.5097 -8.62286 78.2456 -3.85414 -15.848 -26.0674 80.3232 -23.9053 8.93156 TIMING: 1680400 CPU: 5294.34, 0.00323155/step Wall: 5294.34, 0.00323154/step, 2.97984 hours remaining, 237.636719 MB of memory in use. ENERGY: 1680400 3951.2845 20451.3835 14414.3102 240.8405 -203353.7173 2427.8642 0.0000 0.0000 52045.2659 -109822.7685 299.1049 -161868.0344 -109464.3173 298.2722 -140.8518 -110.7283 760801.3329 3.4752 3.5311 PRESSURE: 1680600 -16.1809 -58.8342 -222.099 -58.8342 -163.879 -102.545 -222.1 -102.544 -258.951 GPRESSURE: 1680600 -32.9553 -32.8166 -147.365 81.2644 -167.419 -250.639 -73.2424 -42.6318 -155.169 PRESSAVG: 1680600 -38.3095 -23.0047 32.9232 -23.0047 36.0601 -27.8505 32.9232 -27.8505 13.3343 GPRESSAVG: 1680600 -38.675 -23.1452 34.0281 -23.8073 35.912 -26.912 33.3101 -29.9411 13.5418 TIMING: 1680600 CPU: 5294.98, 0.00319998/step Wall: 5294.98, 0.00319998/step, 2.95056 hours remaining, 237.636719 MB of memory in use. ENERGY: 1680600 4065.8282 20453.2815 14454.3741 257.3084 -203120.8615 2287.1890 0.0000 0.0000 51849.8348 -109753.0455 297.9817 -161602.8803 -109387.8673 298.3441 -146.3369 -118.5146 761314.6351 3.6949 3.5929 PRESSURE: 1680800 -140.465 108.582 207.377 108.581 -148.361 -124.569 207.378 -124.57 154.966 GPRESSURE: 1680800 -168.148 139.256 152.582 194.911 7.82043 -176.569 147.131 -26.5129 114.789 PRESSAVG: 1680800 -16.3715 -67.0636 36.9908 -67.0636 -2.48603 -33.2925 36.9908 -33.2925 14.6596 GPRESSAVG: 1680800 -16.1768 -66.0756 36.322 -68.5907 -1.76997 -33.7261 36.3775 -32.3849 13.5249 TIMING: 1680800 CPU: 5295.62, 0.00319865/step Wall: 5295.62, 0.00319865/step, 2.94915 hours remaining, 237.636719 MB of memory in use. ENERGY: 1680800 4029.7639 20604.8459 14436.9061 242.0918 -203107.5272 2130.6872 0.0000 0.0000 51866.7901 -109796.4421 298.0792 -161663.2322 -109439.5400 298.9671 -44.6197 -15.1796 760867.6694 -1.3993 -1.4740 PRESSURE: 1681000 -471.185 -129.179 -62.3189 -129.179 -196.207 105.363 -62.3181 105.364 51.6572 GPRESSURE: 1681000 -414.901 -75.9581 -137.442 -50.2815 -122.251 85.476 -63.4196 10.652 1.02896 PRESSAVG: 1681000 -52.7058 -51.4685 20.3683 -51.4685 111.3 -35.3753 20.3683 -35.3753 -4.11963 GPRESSAVG: 1681000 -53.5747 -51.8784 19.0128 -50.6202 112.296 -35.2776 18.2845 -34.3742 -3.91629 TIMING: 1681000 CPU: 5296.26, 0.00319077/step Wall: 5296.26, 0.00319077/step, 2.94171 hours remaining, 237.636719 MB of memory in use. ENERGY: 1681000 4030.5603 20324.4462 14440.9982 234.1475 -203501.1126 2439.7590 0.0000 0.0000 52401.2998 -109629.9016 301.1510 -162031.2014 -109250.6285 298.9730 -205.2450 -178.7075 761564.9591 18.1581 18.2683 PRESSURE: 1681200 -127.716 20.719 -31.8285 20.72 -242.329 -116.058 -31.8286 -116.059 -392.583 GPRESSURE: 1681200 -101.033 -36.3735 -17.5027 13.4242 -172.47 -164.636 37.831 -167.287 -386.83 PRESSAVG: 1681200 -36.6922 -39.2949 -16.4627 -39.2949 7.73113 -54.1971 -16.4626 -54.197 13.1272 GPRESSAVG: 1681200 -35.8779 -38.703 -15.9597 -40.3404 7.43075 -54.3734 -13.171 -54.9664 12.908 TIMING: 1681200 CPU: 5296.89, 0.00316382/step Wall: 5296.89, 0.00316381/step, 2.91669 hours remaining, 237.636719 MB of memory in use. ENERGY: 1681200 3933.6764 20426.3452 14428.5801 221.0257 -202774.8206 2128.0568 0.0000 0.0000 51945.2713 -109691.8652 298.5302 -161637.1365 -109317.2632 298.7610 -254.2094 -220.1112 763732.6382 -5.2780 -5.1797 PRESSURE: 1681400 -187.659 -26.1876 -14.6327 -26.188 -331.72 -171.165 -14.6319 -171.165 -250.49 GPRESSURE: 1681400 -111.27 3.91072 -68.8418 -165.272 -266.217 -175.439 -72.5219 -109.901 -322.686 PRESSAVG: 1681400 -15.948 -38.736 23.4328 -38.736 11.2329 -70.9826 23.4329 -70.9827 -14.567 GPRESSAVG: 1681400 -15.8377 -38.5184 24.6704 -38.3962 11.3505 -73.1627 19.6207 -69.853 -15.3033 TIMING: 1681400 CPU: 5297.52, 0.00313203/step Wall: 5297.52, 0.00313203/step, 2.88721 hours remaining, 237.636719 MB of memory in use. ENERGY: 1681400 4043.2964 20348.6198 14411.3374 243.2202 -203227.6722 2357.4275 0.0000 0.0000 52073.3824 -109750.3886 299.2664 -161823.7710 -109387.0461 298.6622 -256.6228 -233.3912 762028.8179 -6.4274 -6.5968 PRESSURE: 1681600 51.968 -122.646 4.64216 -122.647 -92.6573 98.1325 4.64171 98.1332 131.072 GPRESSURE: 1681600 27.3652 -142.5 46.6137 -112.168 -28.1238 20.0272 -2.36731 82.2148 162.354 PRESSAVG: 1681600 60.2092 -44.0813 40.8768 -44.0813 -33.7574 -19.4741 40.8769 -19.4741 -3.10023 GPRESSAVG: 1681600 60.3298 -44.3651 39.7425 -43.108 -35.6068 -19.0272 44.3057 -19.6433 -1.29783 TIMING: 1681600 CPU: 5298.15, 0.00317954/step Wall: 5298.15, 0.00317954/step, 2.93083 hours remaining, 237.636719 MB of memory in use. ENERGY: 1681600 3964.6417 20579.1751 14443.0931 231.1861 -203993.7019 2930.2110 0.0000 0.0000 51911.3019 -109934.0930 298.3350 -161845.3949 -109588.0456 298.9812 30.1274 53.8650 760446.9395 7.7838 7.8084 PRESSURE: 1681800 -110.677 103.072 -214.893 103.071 308.863 162.878 -214.893 162.877 -130.659 GPRESSURE: 1681800 -121.272 64.2591 -97.3053 17.0611 423.442 237.067 -178.991 223.735 -176.19 PRESSAVG: 1681800 34.8526 -36.9154 9.42859 -36.9153 -27.7968 -25.7618 9.4287 -25.7617 19.5501 GPRESSAVG: 1681800 35.2612 -35.7074 12.953 -38.4828 -26.3031 -25.2645 7.16804 -26.6033 18.5543 TIMING: 1681800 CPU: 5298.78, 0.00315106/step Wall: 5298.78, 0.00315107/step, 2.90441 hours remaining, 237.636719 MB of memory in use. ENERGY: 1681800 3896.8482 20562.8674 14368.4827 243.0105 -204221.3723 2889.7134 0.0000 0.0000 52074.4520 -110185.9982 299.2726 -162260.4501 -109813.9926 298.2936 22.5087 41.9933 758485.3094 8.8687 9.1708 PRESSURE: 1682000 -201.657 59.9138 -53.9566 59.9141 -199.384 41.8106 -53.9564 41.81 19.1247 GPRESSURE: 1682000 -148.788 0.140996 -67.0002 124.804 -268.236 37.2954 -127.087 144.751 107.272 PRESSAVG: 1682000 20.9003 0.846022 -37.4198 0.845994 -21.2424 -26.9059 -37.4199 -26.9059 -22.5493 GPRESSAVG: 1682000 19.7058 -1.56337 -37.883 4.15886 -21.3407 -26.5292 -38.7704 -27.3825 -21.4157 TIMING: 1682000 CPU: 5299.41, 0.00313745/step Wall: 5299.41, 0.00313745/step, 2.89169 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1682000 3933.8987 20490.4054 14462.0417 258.7052 -203436.2876 2423.3980 0.0000 0.0000 51745.1647 -110122.6739 297.3802 -161867.8386 -109762.4893 298.3928 -127.3052 -103.2505 760154.4755 -7.6305 -7.6835 PRESSURE: 1682200 -365.559 -63.8231 -153.95 -63.8225 -501.912 -159.127 -153.949 -159.127 -248.064 GPRESSURE: 1682200 -279.726 -13.633 -168.468 -102.373 -462.851 -187.675 -66.641 -104.669 -279.39 PRESSAVG: 1682200 36.8496 -20.3506 28.333 -20.3506 -29.5431 -36.5371 28.333 -36.537 -4.22307 GPRESSAVG: 1682200 38.4947 -17.9393 25.3831 -23.8039 -28.7737 -36.147 30.1041 -34.5157 -6.08461 TIMING: 1682200 CPU: 5300.04, 0.00314688/step Wall: 5300.04, 0.00314688/step, 2.9002 hours remaining, 237.636719 MB of memory in use. ENERGY: 1682200 4007.2415 20411.0761 14372.7857 240.7036 -203610.0629 2488.9376 0.0000 0.0000 52078.7917 -110010.5267 299.2975 -162089.3184 -109653.8793 298.1815 -371.8449 -340.6557 761719.4781 1.0278 1.2121 PRESSURE: 1682400 195.835 -43.2245 86.4377 -43.2252 96.075 -146.644 86.4374 -146.643 132.762 GPRESSURE: 1682400 199.216 -149.623 151.896 -93.8274 136.258 -142.553 25.9695 -214.476 188.831 PRESSAVG: 1682400 1.96981 -29.2265 -3.79045 -29.2265 -0.173812 -27.5151 -3.79045 -27.5151 -49.7965 GPRESSAVG: 1682400 1.73769 -33.8942 -2.77083 -28.2519 0.309677 -27.3915 -5.69569 -28.8061 -49.6366 TIMING: 1682400 CPU: 5300.67, 0.00315347/step Wall: 5300.67, 0.00315347/step, 2.90609 hours remaining, 237.636719 MB of memory in use. ENERGY: 1682400 4004.7275 20566.5603 14392.8686 249.6835 -203455.7731 2537.6039 0.0000 0.0000 52091.9873 -109612.3420 299.3734 -161704.3293 -109259.8020 299.2121 141.5572 174.7685 759615.4273 -16.0002 -15.8631 PRESSURE: 1682600 -174.804 28.6841 -103.484 28.685 76.4662 155.574 -103.483 155.574 -112.624 GPRESSURE: 1682600 -75.3755 90.7781 -81.9038 29.0628 59.2415 116.561 -4.1375 230.411 -121.695 PRESSAVG: 1682600 -30.419 0.859192 16.0018 0.859172 34.6313 6.09146 16.0018 6.09149 -0.132648 GPRESSAVG: 1682600 -30.4897 3.03267 16.9452 0.917178 34.5467 4.69137 18.6713 5.73457 -0.138268 TIMING: 1682600 CPU: 5301.3, 0.00315837/step Wall: 5301.3, 0.00315838/step, 2.91044 hours remaining, 237.636719 MB of memory in use. ENERGY: 1682600 3993.7535 20764.3428 14446.8844 250.6463 -203478.0617 2458.5427 0.0000 0.0000 51957.1003 -109606.7917 298.5982 -161563.8921 -109249.4458 299.0991 -70.3207 -45.9431 762580.1272 1.3599 1.3063 PRESSURE: 1682800 50.6068 -66.9713 -137.279 -66.9703 4.36527 -42.2466 -137.279 -42.2474 54.8556 GPRESSURE: 1682800 62.4557 -53.6108 -128.414 -18.7238 29.0185 -84.545 -131.793 -76.7483 116.212 PRESSAVG: 1682800 -3.58773 -70.2285 -31.6744 -70.2285 6.09828 -49.7977 -31.6744 -49.7977 -22.9927 GPRESSAVG: 1682800 -3.49726 -69.2964 -34.7355 -70.0209 5.87593 -49.6341 -31.973 -47.6234 -22.8974 TIMING: 1682800 CPU: 5301.93, 0.0031499/step Wall: 5301.93, 0.0031499/step, 2.90246 hours remaining, 237.636719 MB of memory in use. ENERGY: 1682800 4034.4112 20613.0936 14466.6835 238.4015 -203883.9923 2887.0947 0.0000 0.0000 51952.2190 -109692.0888 298.5701 -161644.3078 -109336.1844 299.5869 36.6092 69.2287 761199.6840 -6.8274 -6.8396 PRESSURE: 1683000 -548.037 126.011 3.58207 126.012 -146.427 315.822 3.58088 315.822 -471.951 GPRESSURE: 1683000 -447.579 89.8272 48.6606 57.017 -158.551 412.761 36.2897 141.496 -484.991 PRESSAVG: 1683000 12.6916 -59.1895 4.65153 -59.1894 4.48204 1.72335 4.65156 1.72335 4.52133 GPRESSAVG: 1683000 12.6505 -60.0864 6.32887 -59.2047 3.00659 3.04935 4.08142 -2.28529 6.04211 TIMING: 1683000 CPU: 5302.56, 0.00315181/step Wall: 5302.56, 0.00315181/step, 2.90404 hours remaining, 237.636719 MB of memory in use. ENERGY: 1683000 4111.4843 20330.7339 14433.5019 247.0990 -203500.9929 2411.9025 0.0000 0.0000 52242.4190 -109723.8523 300.2379 -161966.2713 -109352.2374 299.2311 -388.8050 -363.7066 761512.2759 7.2317 7.2331 PRESSURE: 1683200 239.266 183.837 104.467 183.837 95.6364 -245.915 104.467 -245.916 70.8104 GPRESSURE: 1683200 316.94 257.395 112.528 217.415 76.5269 -253.003 83.4054 -227.615 109.809 PRESSAVG: 1683200 35.2554 -10.2072 -27.071 -10.2072 -10.6387 -1.78035 -27.071 -1.78036 8.01472 GPRESSAVG: 1683200 34.83 -9.77547 -28.1482 -9.8613 -9.3254 -3.189 -25.1124 0.712046 7.13836 TIMING: 1683200 CPU: 5303.19, 0.00314741/step Wall: 5303.19, 0.00314741/step, 2.89982 hours remaining, 237.636719 MB of memory in use. ENERGY: 1683200 3946.6360 20594.2328 14384.6901 236.8750 -203635.1905 2752.4643 0.0000 0.0000 51988.4918 -109731.8004 298.7786 -161720.2922 -109357.7632 298.8505 135.2378 167.7588 762828.9974 10.8771 10.8810 PRESSURE: 1683400 -114.406 50.365 -88.5329 50.3663 -175.801 43.7075 -88.5337 43.7076 -132.912 GPRESSURE: 1683400 -99.0784 110.911 -93.4474 146.318 -181.476 92.1777 -79.4263 44.5244 -55.535 PRESSAVG: 1683400 22.7158 -33.4991 22.7971 -33.4991 32.6288 -13.2566 22.7971 -13.2567 21.8971 GPRESSAVG: 1683400 23.1694 -31.8965 25.0219 -36.0729 32.1907 -14.5392 21.8962 -14.168 22.4009 TIMING: 1683400 CPU: 5303.83, 0.00318463/step Wall: 5303.83, 0.00318463/step, 2.93393 hours remaining, 237.636719 MB of memory in use. ENERGY: 1683400 4004.2252 20618.4822 14395.6604 243.3989 -203540.8363 2741.8121 0.0000 0.0000 51968.0168 -109569.2408 298.6609 -161537.2575 -109213.1122 299.2142 -141.0397 -112.0299 763359.9672 25.7473 25.9203 PRESSURE: 1683600 -112.721 -35.0597 4.70823 -35.061 -528.728 -98.4839 4.70823 -98.4831 -226.263 GPRESSURE: 1683600 -111.867 -75.3748 15.9735 75.3248 -458.841 -116.201 -17.181 -211.316 -220.936 PRESSAVG: 1683600 -18.392 16.5756 50.6417 16.5756 6.31781 -15.5605 50.6416 -15.5605 2.3642 GPRESSAVG: 1683600 -20.0188 14.5764 48.3126 20.6884 6.65485 -16.0717 51.0257 -12.105 2.98999 TIMING: 1683600 CPU: 5304.46, 0.00316573/step Wall: 5304.46, 0.00316573/step, 2.91634 hours remaining, 237.636719 MB of memory in use. ENERGY: 1683600 4067.9459 20634.8411 14339.2772 239.7871 -203390.3065 2568.6948 0.0000 0.0000 51980.5435 -109559.2168 298.7329 -161539.7604 -109212.5022 299.3994 -289.2377 -263.8812 762129.5935 -3.2367 -3.4580 PRESSURE: 1683800 -409.531 -192.514 98.7419 -192.515 -336.736 169.17 98.7426 169.17 -174.837 GPRESSURE: 1683800 -463.873 -182.441 28.3921 -176.932 -306.925 228.579 164.871 -1.128 -66.7629 PRESSAVG: 1683800 -28.6564 -7.00987 41.8055 -7.00981 26.4355 -57.1382 41.8055 -57.1382 -3.72849 GPRESSAVG: 1683800 -27.7273 -6.9571 43.5221 -11.6463 27.4348 -54.8415 39.8896 -59.9216 -5.17089 TIMING: 1683800 CPU: 5305.09, 0.00315806/step Wall: 5305.09, 0.00315806/step, 2.9091 hours remaining, 237.636719 MB of memory in use. ENERGY: 1683800 3989.3394 20572.0850 14411.3890 266.6046 -203518.4881 2628.1529 0.0000 0.0000 52005.3597 -109645.5575 298.8755 -161650.9172 -109273.9955 299.2930 -307.0347 -279.1870 763846.0409 -1.9831 -1.8211 PRESSURE: 1684000 -162.667 83.7013 -333.76 83.7022 -56.7073 -150.659 -333.761 -150.659 -404.619 GPRESSURE: 1684000 -109.655 125.845 -356.183 143.512 -81.9341 -175.072 -368.183 -64.3019 -344.289 PRESSAVG: 1684000 -61.2836 -47.3548 62.6207 -47.3548 23.1629 21.5244 62.6207 21.5244 -3.21901 GPRESSAVG: 1684000 -60.6975 -47.3917 61.506 -46.1636 22.0376 20.8113 63.378 21.1591 -2.99867 TIMING: 1684000 CPU: 5305.73, 0.00316881/step Wall: 5305.73, 0.00316881/step, 2.91883 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1684000 4002.0529 20637.6067 14502.7983 271.0370 -203399.5531 2597.2464 0.0000 0.0000 51937.7022 -109451.1096 298.4867 -161388.8118 -109090.1168 299.0992 -207.9977 -178.6259 762057.3222 -13.7799 -13.8862 PRESSURE: 1684200 -150.761 -2.43411 -14.4025 -2.43344 -166.765 -20.7935 -14.4012 -20.794 -184.588 GPRESSURE: 1684200 -49.7331 95.5739 44.896 64.9768 -148.275 -15.2207 -90.2723 61.0605 -215.722 PRESSAVG: 1684200 -18.1392 -29.5279 18.7734 -29.5279 46.7541 -27.3848 18.7734 -27.3849 -19.0364 GPRESSAVG: 1684200 -18.9673 -29.5349 19.2041 -29.3356 48.2732 -28.6343 18.9945 -25.544 -19.7895 TIMING: 1684200 CPU: 5306.36, 0.00316171/step Wall: 5306.36, 0.00316171/step, 2.91211 hours remaining, 237.636719 MB of memory in use. ENERGY: 1684200 4032.6987 20581.3645 14432.7914 229.8651 -203326.9079 2348.5988 0.0000 0.0000 52032.0222 -109669.5672 299.0287 -161701.5894 -109305.2962 299.2025 -167.3712 -137.9102 762126.8911 3.1929 3.1721 LDB: ============= START OF LOAD BALANCING ============== 5318.76 LDB: ============== END OF LOAD BALANCING =============== 5318.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5318.76 LDB: ============= START OF LOAD BALANCING ============== 5319.08 LDB: Largest compute 7033 load 0.034477 is 17.6% of average load 0.195969 LDB: Average compute 0.004388 is 2.2% of average load 0.195969 LDB: TIME 5319.08 LOAD: AVG 0.195969 MAX 0.217672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 5319.08 LOAD: AVG 0.195969 MAX 0.217672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: TIME 5319.08 LOAD: AVG 0.195969 MAX 0.217672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: ============== END OF LOAD BALANCING =============== 5319.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5319.09 PRESSURE: 1684400 -89.9331 -34.7881 -75.305 -34.7875 -127.934 -102.23 -75.3048 -102.231 -270.789 GPRESSURE: 1684400 -132.006 -65.8653 5.88774 -60.0742 -100.276 -50.3328 14.0442 -162.181 -185.987 PRESSAVG: 1684400 -62.7222 -16.7292 28.5086 -16.7293 61.5627 12.4294 28.5088 12.4294 3.01106 GPRESSAVG: 1684400 -63.628 -16.3188 28.588 -16.1703 61.7273 14.0396 27.2951 11.1838 3.23613 TIMING: 1684400 CPU: 5307.01, 0.00323505/step Wall: 5307.01, 0.00323505/step, 2.97948 hours remaining, 238.718750 MB of memory in use. ENERGY: 1684400 3986.3017 20459.6225 14453.9623 235.2424 -203587.3007 2804.5737 0.0000 0.0000 52007.9758 -109639.6224 298.8906 -161647.5982 -109273.1591 298.9719 -162.8853 -139.4233 762370.4078 0.6172 0.4451 PRESSURE: 1684600 75.4769 -223.895 296.88 -223.895 -69.2068 318.394 296.88 318.395 86.8205 GPRESSURE: 1684600 127.218 -117.653 239.927 -214.582 24.0765 282.192 373.779 34.5469 45.0562 PRESSAVG: 1684600 -0.570021 -58.1331 38.3581 -58.1331 13.183 6.137 38.3582 6.13695 -1.97648 GPRESSAVG: 1684600 -0.23271 -58.6332 37.639 -56.3098 13.1845 5.77604 38.3186 5.73836 -2.10161 TIMING: 1684600 CPU: 5307.64, 0.00316204/step Wall: 5307.64, 0.00316204/step, 2.91206 hours remaining, 238.921875 MB of memory in use. ENERGY: 1684600 3999.5821 20478.0267 14401.7995 237.2516 -203412.4829 2601.1530 0.0000 0.0000 52053.2596 -109641.4105 299.1508 -161694.6701 -109283.8453 299.1085 31.0302 65.4502 760750.3384 3.5455 3.6167 PRESSURE: 1684800 -173.916 9.99116 16.1202 9.99078 137.748 -10.42 16.1212 -10.4193 110.821 GPRESSURE: 1684800 -156.884 13.992 28.8087 -43.7145 262.553 -43.0641 -2.44179 66.1434 63.2184 PRESSAVG: 1684800 -51.9209 -8.63087 13.0552 -8.63093 6.29334 -47.841 13.0551 -47.841 0.720967 GPRESSAVG: 1684800 -51.9222 -8.28915 13.2899 -12.156 6.33003 -46.8806 14.7343 -46.5634 0.529256 TIMING: 1684800 CPU: 5308.27, 0.00317992/step Wall: 5308.27, 0.00317992/step, 2.92836 hours remaining, 238.921875 MB of memory in use. ENERGY: 1684800 3928.1095 20620.6427 14463.1885 273.6045 -203051.1279 2493.4696 0.0000 0.0000 51845.3401 -109426.7729 297.9559 -161272.1130 -109067.4597 298.7577 24.8844 56.2956 762350.8363 -14.9689 -15.0210 PRESSURE: 1685000 -83.7893 112.467 281.686 112.467 -167.815 -14.5379 281.686 -14.539 100.256 GPRESSURE: 1685000 -54.1928 144.475 277.236 109.239 -127.211 -12.2218 158.146 131.11 120.809 PRESSAVG: 1685000 -3.46951 -49.7048 55.8641 -49.7047 14.0273 -20.3602 55.8641 -20.3603 -0.863821 GPRESSAVG: 1685000 -2.85104 -51.6304 55.3279 -46.9643 13.1273 -20.9558 54.181 -20.4199 -0.980923 TIMING: 1685000 CPU: 5308.91, 0.00318906/step Wall: 5308.91, 0.00318906/step, 2.93659 hours remaining, 238.921875 MB of memory in use. ENERGY: 1685000 3924.6277 20484.1909 14519.9336 291.4890 -203286.0815 2437.8133 0.0000 0.0000 52034.5552 -109593.4717 299.0433 -161628.0269 -109234.7868 299.3555 -50.4495 -20.1982 760801.2983 3.2313 3.0984 PRESSURE: 1685200 248.176 -160.258 123.985 -160.257 72.1877 134.326 123.985 134.326 -65.4755 GPRESSURE: 1685200 216.714 -204.479 147.814 -126.832 127.763 67.4536 140.916 205.409 -4.81631 PRESSAVG: 1685200 28.5509 -34.1832 8.2604 -34.1832 4.87755 -30.6705 8.26046 -30.6705 -11.8419 GPRESSAVG: 1685200 28.4142 -33.2634 7.76167 -34.6427 5.25537 -28.704 9.27906 -31.4048 -12.1897 TIMING: 1685200 CPU: 5309.54, 0.00314997/step Wall: 5309.54, 0.00314997/step, 2.90042 hours remaining, 238.921875 MB of memory in use. ENERGY: 1685200 3963.7038 20568.1358 14455.9215 244.9226 -203836.0619 3029.7463 0.0000 0.0000 52024.5215 -109549.1102 298.9856 -161573.6317 -109186.9503 299.6455 84.9626 113.2204 760425.2674 7.1955 7.1600 PRESSURE: 1685400 -104.931 126.925 65.7431 126.925 -250.195 148.794 65.7437 148.795 19.6177 GPRESSURE: 1685400 -26.8355 181.783 32.6642 31.8247 -258.439 70.3796 172.254 85.693 45.6394 PRESSAVG: 1685400 12.9131 -44.9525 33.9378 -44.9525 8.54627 -34.3865 33.9379 -34.3865 24.4624 GPRESSAVG: 1685400 13.9699 -43.1936 33.3748 -45.8775 6.74246 -36.4549 34.7241 -33.3421 25.3507 TIMING: 1685400 CPU: 5310.17, 0.00314798/step Wall: 5310.17, 0.00314798/step, 2.89841 hours remaining, 238.921875 MB of memory in use. ENERGY: 1685400 3986.1846 20616.4666 14496.4305 257.2576 -203500.4015 2651.4304 0.0000 0.0000 51837.7073 -109654.9245 297.9120 -161492.6318 -109301.1930 299.1052 -111.8359 -79.8784 760006.6380 15.3073 15.3543 PRESSURE: 1685600 36.8365 -134.683 -144.582 -134.683 200.03 113.989 -144.582 113.988 41.5311 GPRESSURE: 1685600 133.233 -102.675 -223.524 -181.461 199.105 109.519 -185.282 50.7411 22.7445 PRESSAVG: 1685600 19.3 -40.2011 8.07878 -40.2012 13.4493 46.6325 8.07876 46.6324 -11.9046 GPRESSAVG: 1685600 19.6704 -39.4906 9.33796 -41.4031 14.4145 45.0222 7.61332 46.5394 -12.7872 TIMING: 1685600 CPU: 5310.8, 0.00312811/step Wall: 5310.8, 0.00312811/step, 2.87995 hours remaining, 238.921875 MB of memory in use. ENERGY: 1685600 4053.7986 20564.2486 14452.6157 270.4197 -203847.7635 2726.2200 0.0000 0.0000 52171.8845 -109608.5764 299.8325 -161780.4609 -109239.9842 299.0865 92.7993 118.3609 759360.4754 6.9482 7.0993 PRESSURE: 1685800 38.9827 -117.713 104.098 -117.712 -110.317 151.801 104.099 151.801 -136.33 GPRESSURE: 1685800 -33.341 -76.2719 122.987 -129.408 -13.3892 76.4684 -46.7799 145.809 -87.8509 PRESSAVG: 1685800 -13.1184 -32.0395 -9.80259 -32.0394 0.0815309 -55.7747 -9.80257 -55.7747 13.4356 GPRESSAVG: 1685800 -15.1531 -34.6634 -9.69338 -30.9905 1.06357 -54.8049 -10.1067 -57.5798 14.3324 TIMING: 1685800 CPU: 5311.42, 0.00313281/step Wall: 5311.42, 0.00313281/step, 2.8841 hours remaining, 238.921875 MB of memory in use. ENERGY: 1685800 3973.2445 20708.5811 14461.9524 259.1909 -203715.8029 2845.0670 0.0000 0.0000 51868.7506 -109599.0164 298.0904 -161467.7670 -109233.9470 299.4007 -69.2212 -44.8604 762096.1274 0.1329 0.0810 PRESSURE: 1686000 -107.627 -46.0102 6.1573 -46.0106 220.632 -162.227 6.15674 -162.227 -119.139 GPRESSURE: 1686000 -18.6271 0.232274 -42.6556 -23.8671 150.391 -181.506 12.9305 -120.441 -58.9143 PRESSAVG: 1686000 -11.6442 -29.7562 -25.0821 -29.7562 10.2541 -21.6124 -25.0821 -21.6124 0.461831 GPRESSAVG: 1686000 -11.3357 -28.311 -25.3504 -30.0345 9.22043 -21.3588 -24.9087 -17.6752 1.37399 TIMING: 1686000 CPU: 5312.05, 0.00312148/step Wall: 5312.05, 0.00312148/step, 2.8735 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1686000 3997.5017 20486.0604 14490.7365 262.9322 -203784.6247 2781.0025 0.0000 0.0000 52279.3930 -109486.9984 300.4504 -161766.3914 -109115.1421 299.4339 -2.0446 24.2832 760426.5996 -0.3094 -0.2471 PRESSURE: 1686200 228.946 -38.3136 -45.1758 -38.3134 83.6207 -6.77949 -45.1753 -6.77879 50.6547 GPRESSURE: 1686200 228.268 -122.985 -54.2057 112.147 196.304 -74.0853 -54.3256 -61.9945 30.9682 PRESSAVG: 1686200 -11.2483 -5.37653 -6.57362 -5.37643 32.1379 -52.5811 -6.57366 -52.5812 5.98599 GPRESSAVG: 1686200 -11.1873 -6.93788 -4.82299 -4.25807 31.5961 -51.7012 -7.04024 -55.4355 5.79769 TIMING: 1686200 CPU: 5312.67, 0.0031236/step Wall: 5312.67, 0.0031236/step, 2.87527 hours remaining, 238.921875 MB of memory in use. ENERGY: 1686200 3932.5101 20507.0679 14492.4077 233.9979 -203816.7716 2849.3920 0.0000 0.0000 52033.2786 -109768.1174 299.0360 -161801.3960 -109405.2034 298.9252 121.0739 151.8466 759229.4491 8.9585 8.7355 PRESSURE: 1686400 -350.881 86.9053 331.822 86.9048 -157.363 46.826 331.822 46.8273 -290.883 GPRESSURE: 1686400 -308.629 52.0527 294.018 85.3447 -87.1685 19.9634 206.378 74.8616 -312.618 PRESSAVG: 1686400 -2.40826 -24.5704 40.7289 -24.5704 -8.68923 6.33877 40.7289 6.33871 13.1492 GPRESSAVG: 1686400 -2.38043 -22.4141 40.3312 -24.7828 -7.4508 5.67476 40.9583 8.33884 11.737 TIMING: 1686400 CPU: 5313.3, 0.00313303/step Wall: 5313.3, 0.00313303/step, 2.88378 hours remaining, 238.921875 MB of memory in use. ENERGY: 1686400 3936.9989 20606.1771 14469.0510 232.0256 -203720.4698 2655.3751 0.0000 0.0000 52153.8147 -109667.0273 299.7287 -161820.8421 -109309.1821 299.2334 -266.3757 -236.1385 760471.2201 0.6839 0.6353 PRESSURE: 1686600 -38.7739 61.7074 78.4959 61.7068 -66.4105 159.833 78.4966 159.833 -124.603 GPRESSURE: 1686600 -2.31657 87.5654 31.8991 27.0416 -32.28 71.343 47.0648 259.036 -118.321 PRESSAVG: 1686600 42.2419 -7.32889 40.478 -7.32894 2.05878 -13.2016 40.478 -13.2017 -2.40577 GPRESSAVG: 1686600 42.0346 -7.07449 38.532 -9.88605 1.70632 -13.7098 42.2876 -12.7882 -2.40381 TIMING: 1686600 CPU: 5313.93, 0.0031338/step Wall: 5313.93, 0.0031338/step, 2.88432 hours remaining, 238.921875 MB of memory in use. ENERGY: 1686600 3979.1529 20514.5524 14436.1364 247.5401 -203487.2345 2604.2602 0.0000 0.0000 52093.4161 -109612.1765 299.3816 -161705.5925 -109242.3705 298.8849 -76.5958 -50.9726 760248.5289 13.9650 13.7790 PRESSURE: 1686800 -283.379 -29.6008 77.517 -29.6025 -164.47 229.929 77.5177 229.929 -142.597 GPRESSURE: 1686800 -190.069 -25.2801 114.851 36.9624 -131.68 254.566 219.709 150.73 -195.257 PRESSAVG: 1686800 24.3492 4.15827 52.9249 4.15826 2.90919 -23.6183 52.9249 -23.6183 7.76261 GPRESSAVG: 1686800 23.9176 4.9672 54.3203 7.37793 2.77794 -22.9536 50.6951 -24.2193 8.36488 TIMING: 1686800 CPU: 5314.56, 0.00315702/step Wall: 5314.56, 0.00315702/step, 2.90551 hours remaining, 238.921875 MB of memory in use. ENERGY: 1686800 3990.4810 20720.5867 14470.7741 273.8544 -203666.0025 2566.9632 0.0000 0.0000 52152.3440 -109490.9992 299.7202 -161643.3431 -109116.9827 299.2107 -196.8153 -172.3356 761804.4305 11.6737 11.6868 PRESSURE: 1687000 103.018 222.272 -132.731 222.272 -236.033 -74.8673 -132.731 -74.8675 -207.102 GPRESSURE: 1687000 68.9294 221.342 -55.0345 273.191 -219.027 -56.6739 -126.119 -70.0073 -103.209 PRESSAVG: 1687000 2.52912 1.60601 35.886 1.60605 -12.3948 30.9221 35.886 30.9221 -16.3658 GPRESSAVG: 1687000 2.34188 1.04367 35.8421 -0.670656 -12.0878 32.5308 36.046 30.5801 -16.6156 TIMING: 1687000 CPU: 5315.19, 0.00315709/step Wall: 5315.19, 0.00315709/step, 2.9054 hours remaining, 238.921875 MB of memory in use. ENERGY: 1687000 3958.7273 20653.4178 14530.6152 264.0883 -203751.2059 2792.9043 0.0000 0.0000 52155.9568 -109395.4963 299.7410 -161551.4531 -109035.0257 299.0058 -113.3723 -84.4354 761519.0177 -8.7438 -8.7872 PRESSURE: 1687200 586.749 -131.224 103.739 -131.223 342.983 79.0739 103.739 79.0733 165.471 GPRESSURE: 1687200 462.229 -132.354 40.8499 -105.656 460.202 89.268 21.5195 55.9871 269.063 PRESSAVG: 1687200 -5.09662 20.647 -17.3855 20.647 5.58311 1.39073 -17.3855 1.39083 -14.8778 GPRESSAVG: 1687200 -5.55672 18.3473 -18.115 20.9915 5.91541 -0.247235 -17.4429 1.07726 -14.7742 TIMING: 1687200 CPU: 5315.82, 0.00314432/step Wall: 5315.82, 0.00314432/step, 2.89348 hours remaining, 238.921875 MB of memory in use. ENERGY: 1687200 3874.2739 20398.3490 14484.4443 239.2898 -204049.4841 3166.8914 0.0000 0.0000 52398.7791 -109487.4566 301.1365 -161886.2356 -109110.2616 299.7135 365.0674 397.1647 760107.8069 -4.7971 -4.8052 PRESSURE: 1687400 128.896 -253.544 3.66382 -253.544 234.048 16.2585 3.66413 16.2575 101.893 GPRESSURE: 1687400 221.412 -92.7896 -51.5866 -215.104 183.848 51.6045 77.5424 13.3737 132.808 PRESSAVG: 1687400 -42.0514 -36.0633 -9.37082 -36.0634 2.10474 -31.8048 -9.37078 -31.8047 -1.33704 GPRESSAVG: 1687400 -40.971 -36.0542 -8.61364 -34.6693 1.8512 -31.6555 -7.96469 -30.0396 -2.06233 TIMING: 1687400 CPU: 5316.45, 0.00315021/step Wall: 5316.45, 0.00315021/step, 2.89872 hours remaining, 238.921875 MB of memory in use. ENERGY: 1687400 4002.6001 20435.5326 14492.4403 252.9479 -203501.7660 2743.0107 0.0000 0.0000 52035.0812 -109540.1533 299.0463 -161575.2345 -109176.2222 299.0757 154.9458 179.3563 761221.6760 -13.7612 -13.7274 PRESSURE: 1687600 -216.434 14.9283 -292.574 14.9282 70.1501 -166.6 -292.574 -166.599 11.8668 GPRESSURE: 1687600 -116.791 -79.9764 -279.027 41.6061 48.997 -262.56 -305.596 -183.37 -3.16486 PRESSAVG: 1687600 -2.28872 -23.797 -10.1371 -23.797 17.7162 -50.4281 -10.1371 -50.4282 -8.98152 GPRESSAVG: 1687600 -2.29268 -21.3991 -12.1677 -25.9297 17.2879 -49.6432 -11.2307 -53.0366 -8.80262 TIMING: 1687600 CPU: 5317.08, 0.0031649/step Wall: 5317.08, 0.0031649/step, 2.91206 hours remaining, 238.921875 MB of memory in use. ENERGY: 1687600 3957.7482 20577.8042 14612.0247 249.4105 -203529.5943 2522.9600 0.0000 0.0000 52175.9506 -109433.6961 299.8559 -161609.6467 -109072.7589 299.4316 -44.8056 -23.6529 761076.7189 2.1486 2.0642 PRESSURE: 1687800 -98.0509 -254.562 -68.1956 -254.562 269.308 -53.428 -68.195 -53.4277 -123.95 GPRESSURE: 1687800 19.9927 -228.653 -74.4436 -231.746 215.426 -91.9676 92.9243 -77.4524 -84.2992 PRESSAVG: 1687800 9.88256 -7.84077 17.0917 -7.84073 13.8189 32.8925 17.0918 32.8925 -5.37217 GPRESSAVG: 1687800 8.68979 -8.24795 19.0735 -6.46281 13.9163 30.7764 17.335 33.7482 -4.34115 TIMING: 1687800 CPU: 5317.71, 0.00314611/step Wall: 5317.71, 0.00314611/step, 2.8946 hours remaining, 238.921875 MB of memory in use. ENERGY: 1687800 4016.1500 20518.5917 14445.6669 249.6694 -203301.0951 2589.3201 0.0000 0.0000 52101.6447 -109380.0524 299.4289 -161481.6971 -109014.3730 299.7374 15.7690 50.3732 761123.8401 6.1098 6.0883 PRESSURE: 1688000 -39.3866 108.923 197.407 108.923 -20.1804 -135.466 197.407 -135.466 90.5794 GPRESSURE: 1688000 -5.62057 117.723 204.831 89.1466 -62.686 -76.5638 164.57 -161.064 166.444 PRESSAVG: 1688000 -1.09531 17.176 5.73246 17.176 29.6683 -16.5229 5.73238 -16.5229 -0.742222 GPRESSAVG: 1688000 0.278521 15.5709 4.45714 15.6394 28.8719 -14.9296 4.90823 -18.0069 -1.58308 TIMING: 1688000 CPU: 5318.34, 0.00317186/step Wall: 5318.34, 0.00317186/step, 2.91811 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1688000 3924.3989 20514.6734 14536.9423 268.5596 -203339.1445 2532.5054 0.0000 0.0000 52192.6194 -109369.4454 299.9517 -161562.0649 -109014.6803 299.7026 10.3375 32.7123 761694.5563 9.2769 9.1891 PRESSURE: 1688200 -52.107 -3.18109 -105.249 -3.18188 -327.806 6.16835 -105.248 6.16772 187.161 GPRESSURE: 1688200 -86.9058 84.394 -60.1746 49.48 -134.682 61.1839 -179.84 56.8399 116.615 PRESSAVG: 1688200 -25.2813 25.2168 -36.1743 25.2169 41.0499 -18.9305 -36.1743 -18.9305 -18.8673 GPRESSAVG: 1688200 -26.0201 25.6707 -34.3201 27.0464 43.0052 -21.3612 -37.6733 -17.2214 -20.2432 TIMING: 1688200 CPU: 5318.98, 0.00316896/step Wall: 5318.98, 0.00316896/step, 2.91527 hours remaining, 238.921875 MB of memory in use. ENERGY: 1688200 3897.3903 20625.8917 14489.4572 244.4902 -203514.0709 2730.4839 0.0000 0.0000 52124.2066 -109402.1509 299.5585 -161526.3575 -109046.8980 299.6173 -64.2509 -34.9907 761886.5780 -1.0329 -1.0861 LDB: ============= START OF LOAD BALANCING ============== 5331.38 LDB: ============== END OF LOAD BALANCING =============== 5331.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5331.38 LDB: ============= START OF LOAD BALANCING ============== 5331.7 LDB: Largest compute 7073 load 0.032555 is 16.6% of average load 0.196025 LDB: Average compute 0.004383 is 2.2% of average load 0.196025 LDB: TIME 5331.7 LOAD: AVG 0.196025 MAX 0.219942 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 5331.7 LOAD: AVG 0.196025 MAX 0.219942 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 5331.7 LOAD: AVG 0.196025 MAX 0.21719 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 5331.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5331.71 PRESSURE: 1688400 236.532 15.0017 -48.0158 15.0017 83.5564 -8.37395 -48.0162 -8.37414 407.203 GPRESSURE: 1688400 217.363 -34.8217 20.3635 60.4815 184.083 -127.338 -77.289 -57.4441 412.516 PRESSAVG: 1688400 -21.8202 -20.7612 -32.035 -20.7612 7.57298 34.4829 -32.035 34.483 -10.8247 GPRESSAVG: 1688400 -23.2967 -19.348 -32.8038 -23.3979 7.03306 36.4301 -30.6069 34.937 -8.79745 TIMING: 1688400 CPU: 5319.63, 0.00323866/step Wall: 5319.63, 0.00323866/step, 2.9792 hours remaining, 237.839844 MB of memory in use. ENERGY: 1688400 4030.7563 20408.7200 14501.7480 244.5831 -204094.6827 3240.7453 0.0000 0.0000 52385.6556 -109282.4743 301.0611 -161668.1299 -108918.5839 299.7427 242.4304 271.3206 762451.4574 -8.3573 -8.3537 PRESSURE: 1688600 -120.204 10.5841 -91.1106 10.5836 -307.248 194.751 -91.1107 194.75 -97.7688 GPRESSURE: 1688600 -100.538 9.85868 -90.7932 -2.80649 -238.643 192.883 -145.945 76.4455 -93.3153 PRESSAVG: 1688600 19.537 6.41046 46.3226 6.41046 -24.4376 10.4842 46.3225 10.4842 0.0855831 GPRESSAVG: 1688600 22.0187 6.20268 46.0807 9.74192 -24.5394 9.79804 47.2901 8.49507 -1.91224 TIMING: 1688600 CPU: 5320.27, 0.00320685/step Wall: 5320.27, 0.00320685/step, 2.94977 hours remaining, 237.839844 MB of memory in use. ENERGY: 1688600 4005.8748 20531.0275 14459.3098 256.5851 -203144.9426 2257.4054 0.0000 0.0000 52177.7199 -109457.0201 299.8661 -161634.7400 -109101.6776 299.5044 -175.0736 -144.1655 763989.9465 -1.6050 -1.4777 PRESSURE: 1688800 -460.394 46.0745 312.971 46.0747 -7.04744 67.0004 312.971 67.0003 -198.847 GPRESSURE: 1688800 -388.623 -75.7044 334.332 45.5098 17.5418 84.7732 210.443 39.7227 -205.049 PRESSAVG: 1688800 -19.6191 -10.876 7.24542 -10.876 33.8597 -29.349 7.2454 -29.349 -9.16031 GPRESSAVG: 1688800 -20.67 -12.4926 7.04278 -11.1693 33.7025 -28.8803 5.78596 -28.663 -7.83133 TIMING: 1688800 CPU: 5320.91, 0.00319932/step Wall: 5320.91, 0.00319932/step, 2.94267 hours remaining, 237.839844 MB of memory in use. ENERGY: 1688800 3988.8678 20469.0269 14504.5487 261.4389 -203460.0171 2745.5876 0.0000 0.0000 52022.2008 -109468.3464 298.9723 -161490.5472 -109109.0057 299.2894 -222.0959 -192.0434 764088.2415 1.6934 1.7337 PRESSURE: 1689000 -196.129 36.5018 34.3141 36.5021 331.147 -160.342 34.314 -160.342 390.705 GPRESSURE: 1689000 -96.2748 55.5014 -10.427 122.858 337.767 -135.569 156.632 -126.504 378.237 PRESSAVG: 1689000 11.2427 75.8216 70.0098 75.8216 -6.15842 51.6354 70.0097 51.6354 -3.44828 GPRESSAVG: 1689000 11.9897 75.1874 70.5512 76.5227 -6.7509 52.3472 68.9212 51.4074 -3.26233 TIMING: 1689000 CPU: 5321.54, 0.00317545/step Wall: 5321.54, 0.00317545/step, 2.92053 hours remaining, 237.839844 MB of memory in use. ENERGY: 1689000 4000.2029 20711.2943 14511.5411 252.5599 -204156.1227 3138.1271 0.0000 0.0000 52065.7684 -109476.6290 299.2227 -161542.3975 -109119.6798 299.4042 175.2408 206.5762 762550.9818 0.5453 0.6588 PRESSURE: 1689200 278.259 -194.993 -2.92911 -194.993 69.8934 -118.672 -2.92933 -118.672 136.215 GPRESSURE: 1689200 341.908 -172.575 -123.1 -106.486 89.172 -141.359 -119.571 -59.9932 131.959 PRESSAVG: 1689200 -57.7799 -21.5616 -42.4285 -21.5616 59.4331 25.8296 -42.4285 25.8296 2.03439 GPRESSAVG: 1689200 -57.8157 -18.7791 -43.3852 -22.4823 59.6617 25.098 -41.4518 26.4328 1.4614 TIMING: 1689200 CPU: 5322.18, 0.00318783/step Wall: 5322.18, 0.00318783/step, 2.93174 hours remaining, 237.839844 MB of memory in use. ENERGY: 1689200 3858.4791 20567.1808 14506.2617 247.8252 -203675.9634 2941.1412 0.0000 0.0000 51944.5689 -109610.5066 298.5262 -161555.0755 -109246.4312 299.2610 161.4557 187.6796 764089.5080 1.2292 1.1025 PRESSURE: 1689400 115.435 77.5153 -146.154 77.5148 449.462 210.248 -146.154 210.247 -141.461 GPRESSURE: 1689400 232.489 8.6059 -106.302 151.388 322.649 270.329 -155.948 235.195 -66.2509 PRESSAVG: 1689400 -37.4816 -31.7201 -6.29579 -31.7201 56.1106 63.0368 -6.29576 63.0368 -5.42996 GPRESSAVG: 1689400 -37.1005 -33.4124 -4.80361 -31.2303 55.1619 63.1413 -7.52269 63.8718 -5.00042 TIMING: 1689400 CPU: 5322.82, 0.00320358/step Wall: 5322.82, 0.00320358/step, 2.94605 hours remaining, 237.839844 MB of memory in use. ENERGY: 1689400 3943.7114 20548.6838 14439.8766 242.2594 -203866.3046 3030.5328 0.0000 0.0000 51934.3778 -109726.8628 298.4676 -161661.2406 -109373.1867 298.7219 141.1451 162.9622 762016.9655 4.3997 4.3536 PRESSURE: 1689600 118.356 -41.9509 -6.63954 -41.951 100.771 -123.711 -6.63919 -123.71 67.323 GPRESSURE: 1689600 112.707 -18.7864 -47.1149 -44.286 206.602 -143.941 45.7457 -38.6802 47.889 PRESSAVG: 1689600 -11.2416 -7.31707 4.20522 -7.31704 4.9803 -12.6461 4.2052 -12.6462 34.3985 GPRESSAVG: 1689600 -11.4372 -6.21872 3.88426 -7.73209 6.1185 -11.9788 3.91302 -11.8216 33.4942 TIMING: 1689600 CPU: 5323.46, 0.00317629/step Wall: 5323.46, 0.00317629/step, 2.92077 hours remaining, 237.839844 MB of memory in use. ENERGY: 1689600 3985.9713 20686.2160 14493.1912 241.7984 -204038.7894 2934.5681 0.0000 0.0000 52077.2541 -109619.7903 299.2887 -161697.0444 -109264.3071 298.4797 95.4832 122.3992 762208.4722 9.3791 9.3918 PRESSURE: 1689800 -417.982 41.2908 105.915 41.2904 -475.697 -141.427 105.915 -141.427 -128.99 GPRESSURE: 1689800 -303.38 -111.549 198.185 95.4239 -452.73 -106.594 99.7406 -119.019 -162.959 PRESSAVG: 1689800 25.4486 -41.023 31.1528 -41.023 -26.9671 -2.53116 31.1528 -2.53123 -23.3876 GPRESSAVG: 1689800 25.2428 -41.8989 30.019 -43.3204 -26.5299 -3.82242 33.3131 -3.2917 -23.4079 TIMING: 1689800 CPU: 5324.09, 0.00316286/step Wall: 5324.09, 0.00316286/step, 2.90825 hours remaining, 237.839844 MB of memory in use. ENERGY: 1689800 3925.8209 20655.8884 14367.1344 229.0148 -203306.1537 2376.2933 0.0000 0.0000 52077.4282 -109674.5738 299.2897 -161752.0019 -109306.8829 298.8657 -340.8896 -306.3563 763544.5358 -8.3020 -8.2317 PRESSURE: 1690000 -87.2206 183.521 -150.486 183.52 195.324 105.377 -150.488 105.377 262.561 GPRESSURE: 1690000 -135.731 204.978 -106.02 78.1743 259.629 57.4606 -209.669 179.945 322.655 PRESSAVG: 1690000 28.2663 -41.459 11.2594 -41.459 8.13267 -21.3109 11.2595 -21.311 3.74633 GPRESSAVG: 1690000 27.9206 -40.2231 12.3686 -41.3702 7.50911 -19.2199 10.576 -21.3172 4.67175 TIMING: 1690000 CPU: 5324.72, 0.00317475/step Wall: 5324.72, 0.00317475/step, 2.919 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1690000 3982.6599 20655.0945 14433.4713 251.2348 -203785.3471 2867.0283 0.0000 0.0000 51840.2344 -109755.6237 297.9265 -161595.8582 -109389.5802 298.8425 123.5548 148.8510 760881.3804 13.3818 13.3672 PRESSURE: 1690200 -87.5086 37.8877 9.81096 37.8863 -104.787 -114.696 9.8111 -114.696 -274.519 GPRESSURE: 1690200 -117.505 50.4517 -54.1881 56.3373 -48.0178 -97.4234 59.981 -64.5787 -243.321 PRESSAVG: 1690200 -20.5566 -0.181165 33.3651 -0.181155 36.6205 15.8444 33.3652 15.8443 -0.894051 GPRESSAVG: 1690200 -19.7323 -1.4574 32.4874 1.58167 36.5365 15.0153 34.1029 15.5282 -1.72507 TIMING: 1690200 CPU: 5325.35, 0.00314542/step Wall: 5325.35, 0.00314542/step, 2.89186 hours remaining, 237.839844 MB of memory in use. ENERGY: 1690200 4001.5209 20597.7104 14432.7276 259.8759 -203509.8957 2526.6500 0.0000 0.0000 51896.2136 -109795.1973 298.2483 -161691.4109 -109431.1023 298.6587 -155.6048 -136.2814 762119.0402 5.0566 5.0264 PRESSURE: 1690400 179.356 87.5051 43.2987 87.5054 110.593 203.746 43.2989 203.746 81.3325 GPRESSURE: 1690400 199.021 65.0976 -13.3284 141.124 160.3 221.364 125.477 94.0268 85.7698 PRESSAVG: 1690400 -9.40042 38.5991 33.3898 38.5992 -25.4061 -33.9366 33.3898 -33.9366 4.15351 GPRESSAVG: 1690400 -9.7352 38.6811 32.3722 38.2946 -23.9852 -34.4988 32.9076 -35.1232 3.07652 TIMING: 1690400 CPU: 5325.98, 0.0031521/step Wall: 5325.98, 0.0031521/step, 2.89783 hours remaining, 237.839844 MB of memory in use. ENERGY: 1690400 3990.9934 20425.4540 14432.4078 234.8839 -203530.3342 2796.2005 0.0000 0.0000 51919.9585 -109730.4360 298.3847 -161650.3946 -109369.0497 298.3808 123.7603 148.3636 761000.9293 -10.2177 -10.2146 PRESSURE: 1690600 -63.3381 356.691 -258.922 356.69 -63.8417 -49.5185 -258.92 -49.519 -57.1243 GPRESSURE: 1690600 4.38264 383.277 -309.193 303.982 51.7798 -44.8556 -220.922 15.746 -137.83 PRESSAVG: 1690600 -12.4052 16.7878 24.363 16.7878 -6.23692 -0.447809 24.363 -0.447872 -8.84858 GPRESSAVG: 1690600 -10.1018 17.5736 25.3989 17.443 -8.57521 -0.558905 24.1859 0.496311 -8.80872 TIMING: 1690600 CPU: 5326.61, 0.00315364/step Wall: 5326.61, 0.00315364/step, 2.89907 hours remaining, 237.839844 MB of memory in use. ENERGY: 1690600 3972.5569 20477.9125 14392.7105 244.6293 -203468.7754 2751.2858 0.0000 0.0000 52066.4320 -109563.2484 299.2265 -161629.6803 -109199.3429 298.9158 -61.4347 -27.2226 761425.2219 -9.1636 -9.1619 PRESSURE: 1690800 -127.992 89.0864 204.258 89.0868 5.16941 64.6878 204.259 64.6862 -167.725 GPRESSURE: 1690800 -146.188 148.056 175.065 -21.7774 44.9663 101.782 137.038 137.373 -104.053 PRESSAVG: 1690800 3.11534 35.6686 0.233672 35.6687 -14.8015 -39.0613 0.233744 -39.0614 7.75083 GPRESSAVG: 1690800 1.37584 35.904 0.250411 35.2583 -13.7912 -38.7009 -1.76059 -37.283 8.49681 TIMING: 1690800 CPU: 5327.25, 0.00318124/step Wall: 5327.25, 0.00318124/step, 2.92426 hours remaining, 237.839844 MB of memory in use. ENERGY: 1690800 3972.2281 20554.0916 14290.6300 245.4289 -203164.0908 2310.3597 0.0000 0.0000 52002.1153 -109789.2372 298.8569 -161791.3525 -109429.8109 298.6555 -96.8490 -68.4249 762512.7169 -1.3118 -1.3062 PRESSURE: 1691000 150.153 -118.301 27.7791 -118.302 -267.333 -43.1629 27.7786 -43.1626 -62.8114 GPRESSURE: 1691000 82.4347 -91.6656 51.569 -113.739 -172.16 -6.18979 75.5868 17.4063 -19.4922 PRESSAVG: 1691000 -17.0559 15.0892 27.953 15.0892 -3.01219 -7.486 27.953 -7.48608 -2.8801 GPRESSAVG: 1691000 -16.5542 13.8388 28.3493 14.5224 -2.91698 -6.90579 29.7137 -9.22496 -4.07493 TIMING: 1691000 CPU: 5327.88, 0.00316501/step Wall: 5327.88, 0.00316501/step, 2.90918 hours remaining, 237.839844 MB of memory in use. ENERGY: 1691000 4023.5573 20437.8829 14292.6114 256.8533 -203654.0927 2666.6766 0.0000 0.0000 52010.2029 -109966.3083 298.9034 -161976.5112 -109608.1673 298.5907 -59.9972 -36.4060 761974.7787 -7.6494 -7.8487 PRESSURE: 1691200 105.087 66.9775 140.998 66.9768 33.7871 75.295 140.997 75.295 163.81 GPRESSURE: 1691200 203.333 117.291 179.45 70.432 16.9869 13.4816 59.1963 2.83298 153.245 PRESSAVG: 1691200 29.7723 14.4568 44.1855 14.4568 10.0727 26.0216 44.1856 26.0216 8.04894 GPRESSAVG: 1691200 27.8876 12.9855 42.5692 15.9631 10.5251 23.9851 45.4153 26.7052 9.26859 TIMING: 1691200 CPU: 5328.52, 0.00317855/step Wall: 5328.52, 0.00317855/step, 2.92144 hours remaining, 237.839844 MB of memory in use. ENERGY: 1691200 4046.9377 20371.4927 14400.8281 239.1835 -203462.6013 2623.4597 0.0000 0.0000 52014.1860 -109766.5137 298.9262 -161780.6997 -109400.8045 298.4677 100.8946 124.5218 758987.2666 15.9647 15.8938 PRESSURE: 1691400 -43.0709 -268.176 170.824 -268.176 -213.448 5.72497 170.824 5.72535 -378.767 GPRESSURE: 1691400 -72.5611 -74.1551 98.4268 -128.27 -108.343 -113.155 262.104 101.715 -351.503 PRESSAVG: 1691400 17.4161 -18.9384 18.3914 -18.9384 -7.14671 -19.9404 18.3913 -19.9404 8.9666 GPRESSAVG: 1691400 16.8234 -17.0739 18.2059 -18.7075 -7.34071 -19.363 19.0526 -19.0666 9.89464 TIMING: 1691400 CPU: 5329.15, 0.00317959/step Wall: 5329.15, 0.00317959/step, 2.92222 hours remaining, 237.839844 MB of memory in use. ENERGY: 1691400 4019.8859 20616.1624 14403.0304 257.2801 -203182.2865 2258.1673 0.0000 0.0000 52081.2709 -109546.4896 299.3118 -161627.7605 -109191.9562 298.8890 -211.7620 -177.4688 760223.7676 6.4120 6.4591 PRESSURE: 1691600 -140.419 25.7011 116.077 25.7014 -56.235 -53.9519 116.075 -53.9527 -284.658 GPRESSURE: 1691600 -40.7781 -35.3891 96.1041 101.363 -63.3755 -53.4266 -24.459 -24.5388 -299.437 PRESSAVG: 1691600 23.3843 -8.58425 0.450679 -8.58427 -59.6006 -31.5559 0.450615 -31.556 -12.0582 GPRESSAVG: 1691600 25.0985 -9.0388 2.65581 -10.3011 -60.1843 -30.8902 -1.90506 -33.0408 -13.1725 TIMING: 1691600 CPU: 5329.79, 0.00315794/step Wall: 5329.79, 0.00315794/step, 2.90215 hours remaining, 237.839844 MB of memory in use. ENERGY: 1691600 4027.8918 20558.2140 14532.3569 248.5838 -203053.6733 2309.5548 0.0000 0.0000 52044.5684 -109332.5036 299.1008 -161377.0720 -108977.9792 299.3143 -160.4374 -134.5302 762187.6905 -16.0915 -16.0861 PRESSURE: 1691800 65.4515 136.398 -59.0254 136.398 -181.067 105.731 -59.0257 105.731 36.1818 GPRESSURE: 1691800 140.729 42.2764 -152.83 16.9191 -190.07 194.064 -133.081 137.428 46.4971 PRESSAVG: 1691800 31.125 14.4429 5.09534 14.4429 -21.7828 -13.896 5.0953 -13.896 13.1306 GPRESSAVG: 1691800 30.3085 12.9755 5.39029 15.0596 -20.9366 -14.5701 5.21146 -14.0969 12.9317 TIMING: 1691800 CPU: 5330.43, 0.00322889/step Wall: 5330.43, 0.00322889/step, 2.96717 hours remaining, 237.839844 MB of memory in use. ENERGY: 1691800 3970.3406 20516.3082 14464.6596 234.3907 -203679.6573 2891.2356 0.0000 0.0000 52061.8323 -109540.8901 299.2001 -161602.7224 -109187.9873 299.1379 -26.4780 -0.9481 762235.1976 7.4910 7.4345 PRESSURE: 1692000 -469.045 -40.0002 -24.1132 -39.9995 -600.944 -172.388 -24.1131 -172.387 -288.047 GPRESSURE: 1692000 -313.651 -29.6517 52.8391 97.1507 -618.686 -205.058 35.2047 -177.894 -338.379 PRESSAVG: 1692000 40.4946 47.5872 26.3993 47.5872 -29.6664 -21.5591 26.3993 -21.5591 18.295 GPRESSAVG: 1692000 40.0484 48.6838 25.7621 47.2446 -29.5423 -21.9585 27.5454 -19.8499 18.2084 TIMING: 1692000 CPU: 5331.06, 0.00315882/step Wall: 5331.06, 0.00315882/step, 2.9026 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1692000 4032.8674 20630.5737 14412.0983 252.8974 -203186.7373 2397.6662 0.0000 0.0000 51846.3996 -109614.2348 297.9620 -161460.6344 -109250.0183 298.5155 -452.6788 -423.5719 762761.1986 9.7077 9.5715 PRESSURE: 1692200 93.8042 -19.3809 147.024 -19.3805 -189.198 -169.41 147.026 -169.409 454.531 GPRESSURE: 1692200 146.498 60.2829 138.045 51.9123 -79.8749 -214.719 189.905 -147.116 367.737 PRESSAVG: 1692200 -7.38781 -28.2284 44.8784 -28.2283 47.0865 -68.3116 44.8784 -68.3116 11.6115 GPRESSAVG: 1692200 -7.13902 -28.3171 43.817 -26.9105 45.8636 -66.9097 45.7382 -68.8711 12.4475 TIMING: 1692200 CPU: 5331.7, 0.00316891/step Wall: 5331.7, 0.00316891/step, 2.9117 hours remaining, 237.839844 MB of memory in use. ENERGY: 1692200 3926.6268 20376.1977 14470.1977 246.8908 -203512.4595 2847.3717 0.0000 0.0000 51988.0434 -109657.1314 298.7760 -161645.1747 -109287.7418 298.5896 119.7122 144.7866 761125.1453 17.1034 17.0573 LDB: ============= START OF LOAD BALANCING ============== 5344.1 LDB: ============== END OF LOAD BALANCING =============== 5344.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5344.11 LDB: ============= START OF LOAD BALANCING ============== 5344.42 LDB: Largest compute 7025 load 0.032836 is 16.7% of average load 0.196134 LDB: Average compute 0.004361 is 2.2% of average load 0.196134 LDB: TIME 5344.43 LOAD: AVG 0.196134 MAX 0.215152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 5344.43 LOAD: AVG 0.196134 MAX 0.215152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.73 MB LDB: TIME 5344.43 LOAD: AVG 0.196134 MAX 0.215152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.73 MB LDB: ============== END OF LOAD BALANCING =============== 5344.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5344.43 PRESSURE: 1692400 -82.3559 -220.16 -114.029 -220.159 -30.4709 289.512 -114.027 289.512 -12.0485 GPRESSURE: 1692400 -94.2499 -335.355 -203.9 -164.104 122.131 337.491 -229.655 167.148 -67.7683 PRESSAVG: 1692400 -50.4581 -11.4769 65.735 -11.4768 41.4657 -17.2369 65.735 -17.237 8.20833 GPRESSAVG: 1692400 -50.461 -11.5505 66.7594 -11.7334 41.5365 -17.0048 63.1592 -17.0508 7.81016 TIMING: 1692400 CPU: 5332.35, 0.00327388/step Wall: 5332.35, 0.00327388/step, 3.00796 hours remaining, 239.375000 MB of memory in use. ENERGY: 1692400 4028.6649 20487.8518 14389.5426 267.2012 -203304.1160 2444.1432 0.0000 0.0000 51936.0762 -109750.6361 298.4773 -161686.7122 -109388.8691 298.8903 -41.6251 -13.2959 763221.7564 -0.2613 -0.3714 PRESSURE: 1692600 57.8863 -64.3755 31.0162 -64.3751 26.2462 44.4713 31.0169 44.4712 -326.925 GPRESSURE: 1692600 133.859 52.9077 18.4874 -120.018 9.33537 29.6842 0.68778 118.189 -295.774 PRESSAVG: 1692600 -6.70522 -1.59472 30.4753 -1.59472 25.0869 40.3549 30.4753 40.3549 16.4142 GPRESSAVG: 1692600 -7.20878 -0.514737 30.4685 -3.11577 25.6572 40.4001 32.1188 39.471 17.2177 TIMING: 1692600 CPU: 5332.98, 0.00316183/step Wall: 5332.98, 0.00316183/step, 2.90485 hours remaining, 239.375000 MB of memory in use. ENERGY: 1692600 3980.0466 20387.8545 14419.5862 252.2021 -203980.9457 2913.7198 0.0000 0.0000 52219.3992 -109808.1374 300.1056 -162027.5365 -109442.6613 298.7430 -80.9308 -50.8598 760429.3789 11.5986 11.8887 PRESSURE: 1692800 -468.775 31.0031 281.737 31.0029 -118.133 -287.169 281.737 -287.169 -43.9319 GPRESSURE: 1692800 -365.86 -2.05314 236.423 -77.0343 -116.707 -272.211 229.1 -271.34 -73.4128 PRESSAVG: 1692800 -27.0476 31.2777 24.4189 31.2777 -19.9562 -10.9656 24.4189 -10.9655 -4.07149 GPRESSAVG: 1692800 -27.0457 31.0501 25.1731 32.4801 -19.8288 -11.7123 22.9687 -8.7566 -4.72506 TIMING: 1692800 CPU: 5333.62, 0.00315437/step Wall: 5333.62, 0.00315437/step, 2.89781 hours remaining, 239.375000 MB of memory in use. ENERGY: 1692800 3984.0748 20428.6159 14407.2739 258.0059 -202982.9998 2200.8307 0.0000 0.0000 52109.3135 -109594.8851 299.4729 -161704.1986 -109241.2631 299.0439 -210.2801 -185.3267 763010.5724 -17.0251 -17.1998 PRESSURE: 1693000 -49.2944 -59.2182 81.1686 -59.2179 -371.166 103.884 81.1689 103.885 229.331 GPRESSURE: 1693000 1.87328 -50.428 35.9322 -70.4228 -249.46 44.3428 -42.4566 104.348 141.077 PRESSAVG: 1693000 9.36425 -17.0271 17.6072 -17.0271 47.8256 36.1916 17.6071 36.1916 -9.26496 GPRESSAVG: 1693000 8.30771 -18.7435 17.9517 -18.7549 47.0756 35.7645 18.4386 33.5211 -8.47697 TIMING: 1693000 CPU: 5334.25, 0.00318898/step Wall: 5334.25, 0.00318898/step, 2.92944 hours remaining, 239.375000 MB of memory in use. ENERGY: 1693000 3997.8434 20353.6824 14477.5724 258.1178 -203118.3054 2490.8759 0.0000 0.0000 51974.7275 -109565.4859 298.6995 -161540.2134 -109210.7258 299.5417 -63.7100 -35.5034 762455.3776 15.9750 15.6354 PRESSURE: 1693200 47.4765 64.6765 99.4263 64.6773 63.7695 170.026 99.4255 170.026 24.9601 GPRESSURE: 1693200 102.283 119.428 115.026 -103.008 44.6272 189.515 173.121 35.4477 81.3218 PRESSAVG: 1693200 -36.8672 -23.5034 81.3663 -23.5034 38.4237 27.595 81.3663 27.5951 21.2683 GPRESSAVG: 1693200 -36.7307 -21.6306 79.7134 -20.5801 39.0081 28.6811 79.9915 28.9356 20.7415 TIMING: 1693200 CPU: 5334.89, 0.00316222/step Wall: 5334.89, 0.00316222/step, 2.90467 hours remaining, 239.375000 MB of memory in use. ENERGY: 1693200 4001.0662 20574.3744 14458.9547 238.0672 -203377.3237 2559.9338 0.0000 0.0000 52151.4145 -109393.5130 299.7149 -161544.9275 -109027.9330 299.1545 45.4020 76.0774 759367.8972 7.6083 7.6730 PRESSURE: 1693400 -361.998 159.618 -92.7202 159.618 -339.366 -202.367 -92.7198 -202.367 -229.863 GPRESSURE: 1693400 -257.002 99.5483 -170.554 158.837 -411.53 -311.563 1.26078 -110.063 -166.243 PRESSAVG: 1693400 -26.5998 27.6547 3.86065 27.6547 56.6538 11.5853 3.86067 11.5854 10.2797 GPRESSAVG: 1693400 -25.9474 27.6367 2.40732 25.7995 57.4963 11.2605 5.18059 10.5161 8.61057 TIMING: 1693400 CPU: 5335.53, 0.00320563/step Wall: 5335.53, 0.00320563/step, 2.94437 hours remaining, 239.375000 MB of memory in use. ENERGY: 1693400 4081.1784 20506.5952 14468.8986 263.2438 -203263.0188 2369.1228 0.0000 0.0000 52097.2536 -109476.7264 299.4036 -161573.9800 -109116.8946 299.4613 -310.4087 -278.2585 761337.1114 13.4446 13.3865 PRESSURE: 1693600 -31.3086 -146.927 -34.4025 -146.927 -141.42 188.242 -34.4031 188.241 -74.8054 GPRESSURE: 1693600 84.8125 -29.1876 1.79963 -202.971 -131.987 -4.80212 42.5329 207.495 -113.372 PRESSAVG: 1693600 -12.8624 63.4538 18.9721 63.4538 -13.8635 -31.0628 18.972 -31.0628 -37.1704 GPRESSAVG: 1693600 -12.7242 64.6039 19.8891 63.2426 -15.1067 -33.0051 22.7321 -29.0431 -36.201 TIMING: 1693600 CPU: 5336.17, 0.00320322/step Wall: 5336.17, 0.00320322/step, 2.94198 hours remaining, 239.375000 MB of memory in use. ENERGY: 1693600 4007.4580 20354.6415 14528.8643 239.9985 -203355.5822 2627.2294 0.0000 0.0000 52067.4745 -109529.9159 299.2325 -161597.3904 -109168.2704 299.7028 -82.5114 -53.5153 761821.5498 -21.2988 -21.3440 PRESSURE: 1693800 -124.27 -35.5313 55.6176 -35.5314 -40.8621 -303.095 55.6172 -303.094 208.207 GPRESSURE: 1693800 -62.8295 -38.8778 165.05 -13.6296 -5.73107 -296.279 2.7919 -166.196 217.141 PRESSAVG: 1693800 -44.3992 26.8842 39.4595 26.8842 16.8478 -6.62105 39.4595 -6.62109 3.7175 GPRESSAVG: 1693800 -45.9409 24.75 40.0323 27.2444 17.5046 -5.7803 36.9062 -8.35167 4.16435 TIMING: 1693800 CPU: 5336.8, 0.00316144/step Wall: 5336.8, 0.00316144/step, 2.90343 hours remaining, 239.375000 MB of memory in use. ENERGY: 1693800 4042.1142 20472.9830 14464.8718 243.0227 -203696.6434 2800.2681 0.0000 0.0000 51827.0962 -109846.2874 297.8510 -161673.3836 -109486.3120 298.9934 14.3583 49.5268 761117.4816 -7.9446 -8.0906 PRESSURE: 1694000 -143.383 60.7146 -113.732 60.7137 -224.543 -241.918 -113.732 -241.919 -356.077 GPRESSURE: 1694000 -104.082 -16.3922 -165.23 84.8523 -236.701 -156.406 -167.767 -198.06 -311.552 PRESSAVG: 1694000 7.65272 21.742 25.057 21.742 22.1676 1.2699 25.057 1.26987 29.5551 GPRESSAVG: 1694000 7.69179 21.6113 25.1964 23.6176 22.8781 0.989478 24.2188 2.48768 28.7572 TIMING: 1694000 CPU: 5337.43, 0.003174/step Wall: 5337.43, 0.003174/step, 2.91479 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1694000 4034.3011 20520.8109 14404.8718 257.6968 -204012.6452 2625.5221 0.0000 0.0000 52151.2547 -110018.1878 299.7140 -162169.4425 -109655.6699 298.4897 -241.3345 -217.4449 759186.0456 19.7918 19.7757 PRESSURE: 1694200 -229.483 9.74253 -86.8584 9.74215 222.489 -148.003 -86.8588 -148.003 250.156 GPRESSURE: 1694200 -162.827 24.687 -57.3415 -7.61729 219.311 -251.302 -79.8246 -214.563 270.152 PRESSAVG: 1694200 46.7566 52.8569 -3.69875 52.857 -6.54029 -16.1454 -3.69878 -16.1454 5.07301 GPRESSAVG: 1694200 47.5964 53.9764 -4.22512 51.2302 -8.24616 -15.0116 -1.80442 -18.6454 5.59125 TIMING: 1694200 CPU: 5338.08, 0.00320141/step Wall: 5338.08, 0.00320141/step, 2.93978 hours remaining, 239.375000 MB of memory in use. ENERGY: 1694200 3981.1086 20651.0658 14460.8773 248.7408 -203672.4218 2648.9012 0.0000 0.0000 51756.9630 -109924.7651 297.4480 -161681.7281 -109562.9603 298.0429 81.0543 108.8787 760985.3977 15.0964 14.9805 PRESSURE: 1694400 317.853 1.345 -141.759 1.3445 -96.0204 -46.583 -141.759 -46.5832 -143.038 GPRESSURE: 1694400 326.832 105.839 -143.082 -28.1679 -54.5233 -144.106 -138.043 -2.29666 -117.315 PRESSAVG: 1694400 32.2251 54.4999 12.0641 54.4999 1.82702 33.1163 12.0641 33.1163 -1.9011 GPRESSAVG: 1694400 32.2286 54.5348 12.06 54.7068 1.45608 33.2104 11.2344 33.4536 -1.65296 TIMING: 1694400 CPU: 5338.72, 0.00320263/step Wall: 5338.72, 0.00320263/step, 2.94073 hours remaining, 239.375000 MB of memory in use. ENERGY: 1694400 3955.2829 20525.5196 14421.4345 246.2452 -203361.9882 2516.5406 0.0000 0.0000 51871.5936 -109825.3717 298.1068 -161696.9653 -109462.8812 298.8291 26.2647 51.6646 761598.6982 10.7170 10.6772 PRESSURE: 1694600 -227.961 -83.5116 -172.812 -83.5124 389.218 169.739 -172.813 169.74 49.484 GPRESSURE: 1694600 -126.372 -3.68789 -156.827 -149.673 359.275 150.143 -204.987 130.286 55.7947 PRESSAVG: 1694600 13.5985 -61.6946 3.24945 -61.6946 -1.24571 -23.9956 3.24947 -23.9957 -10.7923 GPRESSAVG: 1694600 13.6816 -61.6285 1.6895 -58.5066 -0.637936 -22.3921 3.7439 -23.0029 -11.4933 TIMING: 1694600 CPU: 5339.36, 0.00320419/step Wall: 5339.36, 0.00320419/step, 2.94198 hours remaining, 239.375000 MB of memory in use. ENERGY: 1694600 4038.5916 20326.6577 14398.2959 245.7186 -203927.7160 2913.1606 0.0000 0.0000 51992.2945 -110012.9971 298.8004 -162005.2916 -109642.8332 297.7638 70.2470 96.2323 761891.8067 0.5202 0.5168 PRESSURE: 1694800 -18.6461 -23.0694 -194.551 -23.0687 84.9003 -134.136 -194.551 -134.135 110.598 GPRESSURE: 1694800 79.9446 -12.159 -169.995 -69.0089 -3.7845 -68.2572 -151.078 -22.2847 212.418 PRESSAVG: 1694800 5.18067 -27.7063 -28.8624 -27.7062 16.6099 -58.4808 -28.8624 -58.4809 5.12181 GPRESSAVG: 1694800 6.42709 -28.7381 -26.8402 -30.8409 14.7882 -61.3279 -29.5928 -58.7857 5.65332 TIMING: 1694800 CPU: 5339.99, 0.00317875/step Wall: 5339.99, 0.00317875/step, 2.91845 hours remaining, 239.375000 MB of memory in use. ENERGY: 1694800 4007.5795 20559.0389 14414.4508 258.3350 -203568.3645 2629.7867 0.0000 0.0000 51711.6811 -109987.4925 297.1877 -161699.1735 -109625.8967 298.2127 58.9508 96.1929 761226.4521 8.9708 8.9562 PRESSURE: 1695000 148.471 -116.467 24.6992 -116.467 163.987 -24.0008 24.6983 -23.9998 108.204 GPRESSURE: 1695000 136.149 -127.411 46.2228 -82.4564 219.03 -140.614 72.3979 44.2766 140.722 PRESSAVG: 1695000 22.1413 -34.9421 -40.9141 -34.9421 23.7749 -46.2621 -40.9141 -46.262 0.64264 GPRESSAVG: 1695000 20.3978 -35.0096 -41.8847 -34.1878 25.585 -44.3923 -39.8103 -45.9196 0.418391 TIMING: 1695000 CPU: 5340.62, 0.00315305/step Wall: 5340.62, 0.00315305/step, 2.89467 hours remaining, 239.375000 MB of memory in use. ENERGY: 1695000 3933.3363 20467.9809 14404.8744 251.9883 -203894.4111 2919.8543 0.0000 0.0000 51943.4042 -109972.9727 298.5195 -161916.3769 -109613.2362 297.9857 140.2207 165.3002 761298.8283 15.5196 15.4671 PRESSURE: 1695200 -51.9848 -301.464 76.773 -301.464 64.2453 235.006 76.7736 235.006 -83.2006 GPRESSURE: 1695200 -70.7483 -273.504 188.336 -202.751 120.303 274.799 79.5422 92.5396 -43.5507 PRESSAVG: 1695200 11.3906 -23.8907 -30.771 -23.8906 -5.29554 21.5557 -30.7711 21.5558 11.0411 GPRESSAVG: 1695200 12.3247 -22.6774 -28.8059 -23.9529 -5.43385 21.1564 -32.9482 21.4946 10.1884 TIMING: 1695200 CPU: 5341.26, 0.00316971/step Wall: 5341.26, 0.00316971/step, 2.90979 hours remaining, 239.375000 MB of memory in use. ENERGY: 1695200 3983.1510 20509.6028 14428.9463 251.8451 -203806.6795 2785.4664 0.0000 0.0000 52157.5280 -109690.1398 299.7500 -161847.6679 -109319.7235 298.7606 -23.6467 2.0013 760354.3390 5.7121 5.6931 PRESSURE: 1695400 -186.928 -30.6992 -247.693 -30.6987 -189.431 -26.1026 -247.694 -26.1025 263.169 GPRESSURE: 1695400 -222.717 46.995 -271.06 96.5825 -85.2356 -103.587 -159.682 -18.7595 256.127 PRESSAVG: 1695400 -57.9391 -42.7683 22.4564 -42.7683 49.2925 25.8776 22.4564 25.8776 6.09475 GPRESSAVG: 1695400 -58.6989 -42.1351 21.829 -43.0398 50.8816 23.8612 22.048 24.6425 5.82816 TIMING: 1695400 CPU: 5341.89, 0.00318421/step Wall: 5341.89, 0.00318421/step, 2.92293 hours remaining, 239.375000 MB of memory in use. ENERGY: 1695400 3982.8244 20514.4736 14343.0505 248.0016 -203433.2493 2616.4043 0.0000 0.0000 52070.2079 -109658.2870 299.2482 -161728.4949 -109295.5432 298.9840 -37.7302 -17.2754 761503.7606 -0.8506 -0.6630 PRESSURE: 1695600 -104.928 -1.26102 -64.5477 -1.26082 -197.361 5.56924 -64.5477 5.56843 81.6583 GPRESSURE: 1695600 -87.0381 -57.0884 -29.6278 95.4415 -209.576 52.8615 -16.0644 18.5658 156.716 PRESSAVG: 1695600 -21.2012 -12.9495 -21.1182 -12.9495 -7.8239 -13.5667 -21.1181 -13.5668 -8.27483 GPRESSAVG: 1695600 -21.9416 -12.3935 -21.919 -13.5067 -8.2092 -11.836 -18.6618 -12.3312 -7.13384 TIMING: 1695600 CPU: 5342.53, 0.0031701/step Wall: 5342.53, 0.0031701/step, 2.9098 hours remaining, 239.375000 MB of memory in use. ENERGY: 1695600 3958.8567 20663.7686 14485.3730 250.0826 -203225.3389 2356.6659 0.0000 0.0000 51967.1218 -109543.4703 298.6558 -161510.5921 -109180.2081 298.9898 -73.5437 -46.6325 762501.8574 -12.4333 -12.4282 PRESSURE: 1695800 157.973 -178.107 -92.6888 -178.107 -99.3602 212.769 -92.6892 212.77 173.575 GPRESSURE: 1695800 127.139 -138.78 -168.376 -193.475 -53.4153 303.334 -76.2951 151.961 236.174 PRESSAVG: 1695800 20.6382 -63.9687 0.171368 -63.9687 27.8766 -4.1293 0.171342 -4.12929 -10.978 GPRESSAVG: 1695800 21.7266 -64.4914 0.665324 -63.8203 26.7875 -3.93087 0.602523 -6.62582 -10.7531 TIMING: 1695800 CPU: 5343.16, 0.00316969/step Wall: 5343.16, 0.00316968/step, 2.90924 hours remaining, 239.375000 MB of memory in use. ENERGY: 1695800 4015.7480 20430.0413 14394.9781 270.4884 -203105.3684 2370.9795 0.0000 0.0000 52063.6637 -109559.4694 299.2106 -161623.1330 -109200.1934 298.8942 77.3959 103.2993 761704.4094 12.5123 12.5870 PRESSURE: 1696000 24.2557 61.1025 274.255 61.1039 -50.4154 190.966 274.255 190.965 383.509 GPRESSURE: 1696000 16.7139 -62.599 251.021 14.3701 58.7107 189.478 121.799 302.118 383.731 PRESSAVG: 1696000 12.6905 -57.0973 3.21649 -57.0972 32.1624 -1.12749 3.21651 -1.12752 -9.36115 GPRESSAVG: 1696000 11.9922 -58.5879 2.69743 -56.1024 32.0393 -1.08574 0.948456 1.75338 -9.39039 TIMING: 1696000 CPU: 5343.79, 0.00314548/step Wall: 5343.79, 0.00314548/step, 2.88685 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1696000 4100.4483 20320.3530 14453.3143 261.4270 -203228.4479 2740.5514 0.0000 0.0000 51786.1489 -109566.2051 297.6157 -161352.3540 -109193.9349 299.0250 119.1163 153.0520 761434.9002 11.8306 11.5470 PRESSURE: 1696200 -79.7346 189.725 65.5688 189.724 -63.0486 -136.72 65.569 -136.721 94.1137 GPRESSURE: 1696200 -15.972 213.437 23.8314 164.54 -58.2565 -154.124 79.5741 -220.843 107.181 PRESSAVG: 1696200 -5.76945 -4.63421 -21.9636 -4.63425 23.0854 6.93237 -21.9636 6.93243 -5.52094 GPRESSAVG: 1696200 -5.64599 -4.38856 -21.7552 -6.22558 24.0103 5.39784 -23.1132 7.37672 -7.14472 TIMING: 1696200 CPU: 5344.43, 0.00317182/step Wall: 5344.43, 0.00317182/step, 2.91085 hours remaining, 239.375000 MB of memory in use. ENERGY: 1696200 3968.4728 20513.4779 14379.6297 245.0534 -203806.5569 2913.4048 0.0000 0.0000 52175.3902 -109611.1282 299.8527 -161786.5184 -109248.3495 298.7477 -16.2232 10.9840 760848.7484 3.9317 3.7398 LDB: ============= START OF LOAD BALANCING ============== 5356.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5356.82 LDB: =============== DONE WITH MIGRATION ================ 5356.82 LDB: ============= START OF LOAD BALANCING ============== 5357.14 LDB: Largest compute 7034 load 0.034792 is 17.7% of average load 0.196098 LDB: Average compute 0.004377 is 2.2% of average load 0.196098 LDB: TIME 5357.14 LOAD: AVG 0.196098 MAX 0.217318 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 5357.14 LOAD: AVG 0.196098 MAX 0.217318 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 5357.14 LOAD: AVG 0.196098 MAX 0.217318 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: ============== END OF LOAD BALANCING =============== 5357.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5357.15 PRESSURE: 1696400 27.7918 92.6496 -139.649 92.6493 -366.653 -25.0029 -139.648 -25.0034 -407.602 GPRESSURE: 1696400 -6.36035 43.4818 -159.745 35.5285 -330.438 -1.64954 10.8286 -32.5967 -339.048 PRESSAVG: 1696400 63.9068 -48.4459 -2.65968 -48.4459 -17.4102 -0.556201 -2.65961 -0.556169 3.93114 GPRESSAVG: 1696400 64.4903 -50.4563 -4.30798 -47.0683 -18.7031 1.22476 -1.74285 -2.14263 4.55215 TIMING: 1696400 CPU: 5345.07, 0.00321968/step Wall: 5345.07, 0.00321968/step, 2.95459 hours remaining, 237.839844 MB of memory in use. ENERGY: 1696400 3922.2116 20546.7031 14430.3514 221.0839 -203384.4193 2515.8632 0.0000 0.0000 51844.8787 -109903.3275 297.9532 -161748.2061 -109538.1014 298.8936 -248.8211 -225.2820 761224.8015 16.8092 16.7798 PRESSURE: 1696600 -89.5162 11.2369 -219.79 11.2365 16.0925 304.05 -219.79 304.05 124.461 GPRESSURE: 1696600 -26.0103 103.372 -272.679 -42.4214 12.7549 315.896 -146.788 316.018 144.603 PRESSAVG: 1696600 28.2781 6.07624 40.9058 6.07623 -36.9292 -27.3107 40.9058 -27.3107 -9.72458 GPRESSAVG: 1696600 27.8317 9.36695 40.1901 5.27997 -36.012 -28.1457 41.1833 -25.7203 -9.81351 TIMING: 1696600 CPU: 5345.7, 0.00317709/step Wall: 5345.7, 0.00317708/step, 2.91533 hours remaining, 237.839844 MB of memory in use. ENERGY: 1696600 4035.6190 20683.7220 14399.6800 264.1852 -203843.7950 2793.4895 0.0000 0.0000 51810.2044 -109856.8949 297.7540 -161667.0993 -109505.1188 298.2975 17.0124 43.7826 761666.4443 -6.1252 -5.9979 PRESSURE: 1696800 -247.949 -115.031 -145.899 -115.031 182.774 62.1793 -145.898 62.1804 -137.623 GPRESSURE: 1696800 -164.358 -47.6627 -159.384 -105.35 192.392 78.3479 24.0956 77.1404 -124.522 PRESSAVG: 1696800 -39.5938 28.4466 20.6834 28.4467 30.6356 7.70661 20.6834 7.70654 -31.456 GPRESSAVG: 1696800 -38.8554 28.6441 21.2464 26.8064 29.7202 8.75165 21.4952 7.31001 -30.5929 TIMING: 1696800 CPU: 5346.34, 0.00317297/step Wall: 5346.34, 0.00317297/step, 2.91137 hours remaining, 237.839844 MB of memory in use. ENERGY: 1696800 3950.9713 20509.5902 14501.1995 253.2672 -203710.6526 2804.9707 0.0000 0.0000 51878.0245 -109812.6292 298.1437 -161690.6537 -109447.3249 298.6190 -67.5993 -32.1631 762599.5448 -13.4714 -13.2427 PRESSURE: 1697000 270.584 -139.655 100.544 -139.655 185.202 201.825 100.543 201.826 197.638 GPRESSURE: 1697000 318.256 -59.6389 144.005 -234.275 186.023 163.513 5.08393 89.9181 230.977 PRESSAVG: 1697000 5.19099 -20.3208 19.887 -20.3208 -0.622332 5.38535 19.8871 5.3853 0.298554 GPRESSAVG: 1697000 3.37056 -23.2496 21.2131 -18.3731 2.29051 4.39182 18.4715 4.98215 -0.631728 TIMING: 1697000 CPU: 5346.97, 0.00315883/step Wall: 5346.97, 0.00315883/step, 2.89822 hours remaining, 237.839844 MB of memory in use. ENERGY: 1697000 3926.7320 20403.8554 14474.2221 240.3654 -203194.7328 2560.5678 0.0000 0.0000 52002.8040 -109586.1862 298.8608 -161588.9902 -109225.3865 298.8484 217.8078 245.0853 760212.4236 1.6224 1.6764 PRESSURE: 1697200 111.007 223.645 98.7588 223.645 26.1067 37.4122 98.7577 37.4109 40.4646 GPRESSURE: 1697200 126.194 10.3385 99.8304 198.792 4.45526 42.9866 173.658 -29.0997 120.297 PRESSAVG: 1697200 13.1804 -6.64012 0.411767 -6.6401 -0.411321 13.4295 0.411737 13.4295 7.89859 GPRESSAVG: 1697200 14.9162 -6.49169 -1.4047 -7.32145 -2.53437 12.3864 1.04794 13.6898 8.29506 TIMING: 1697200 CPU: 5347.6, 0.00316573/step Wall: 5347.6, 0.00316573/step, 2.90438 hours remaining, 237.839844 MB of memory in use. ENERGY: 1697200 3915.2877 20579.1090 14514.5437 259.9959 -203155.2545 2495.3139 0.0000 0.0000 52078.2592 -109312.7451 299.2945 -161391.0043 -108947.5937 298.9761 59.1927 83.6490 760912.9803 6.8892 6.8923 PRESSURE: 1697400 -88.9076 124.442 124.76 124.442 -215.147 -138.218 124.759 -138.217 198.124 GPRESSURE: 1697400 -123.003 0.706488 34.0609 206.282 -93.5001 -184.08 248.863 -70.2664 198.225 PRESSAVG: 1697400 12.5463 25.6325 -9.90016 25.6325 -6.27122 50.9782 -9.90016 50.9782 -20.8342 GPRESSAVG: 1697400 12.0181 26.6424 -10.0857 26.3996 -4.1598 51.7857 -8.35635 49.2951 -22.2433 TIMING: 1697400 CPU: 5348.23, 0.00313711/step Wall: 5348.23, 0.00313711/step, 2.87795 hours remaining, 237.839844 MB of memory in use. ENERGY: 1697400 4004.8856 20678.9744 14545.7832 243.5169 -203262.7440 2611.9297 0.0000 0.0000 51807.1154 -109370.5387 297.7362 -161177.6541 -109018.2405 299.8585 -35.3104 -6.0928 762309.1984 -4.8530 -4.7950 PRESSURE: 1697600 -522.075 -92.3543 127.434 -92.3544 -171.529 -103.428 127.434 -103.428 -269.555 GPRESSURE: 1697600 -494.818 18.5033 127.979 -79.2518 -134.875 -121.76 34.743 9.98304 -262.828 PRESSAVG: 1697600 -16.5875 6.39293 54.477 6.39297 58.7043 13.8425 54.4769 13.8425 12.6831 GPRESSAVG: 1697600 -15.0204 7.13634 56.5727 4.13907 55.7725 15.4361 53.442 14.2819 13.9961 TIMING: 1697600 CPU: 5348.86, 0.00315235/step Wall: 5348.86, 0.00315235/step, 2.89175 hours remaining, 237.839844 MB of memory in use. ENERGY: 1697600 4007.8994 20519.7120 14412.8286 249.5214 -203220.0734 2426.9259 0.0000 0.0000 52118.0204 -109485.1656 299.5230 -161603.1860 -109116.9178 299.3935 -321.0531 -297.5070 762254.3274 18.2666 18.2494 PRESSURE: 1697800 -8.41549 -28.9569 86.7742 -28.9562 -239.519 140.933 86.7741 140.933 -399.107 GPRESSURE: 1697800 -17.0743 -15.0979 128.555 20.8103 -263.292 227.702 76.833 27.1918 -328.656 PRESSAVG: 1697800 -47.0386 -35.0909 46.0584 -35.0909 6.61259 23.7355 46.0584 23.7355 13.2306 GPRESSAVG: 1697800 -48.0684 -36.1843 45.9199 -34.2482 7.5724 22.0761 44.9573 23.905 12.5742 TIMING: 1697800 CPU: 5349.5, 0.00316818/step Wall: 5349.5, 0.00316818/step, 2.9061 hours remaining, 237.839844 MB of memory in use. ENERGY: 1697800 4046.7712 20382.5224 14511.1654 260.8401 -203321.2057 2444.1470 0.0000 0.0000 52218.2022 -109457.5573 300.0987 -161675.7595 -109083.8754 299.5544 -215.6806 -203.0076 761912.8439 -9.0651 -9.3073 PRESSURE: 1698000 49.0968 -198.703 160.9 -198.702 101.437 -132.429 160.9 -132.429 340.77 GPRESSURE: 1698000 65.98 -138.002 200.049 -229.996 94.6431 -82.3783 137.182 -41.7688 426.117 PRESSAVG: 1698000 12.3278 -25.2505 15.7923 -25.2505 -12.8753 -3.04941 15.7923 -3.04939 6.91708 GPRESSAVG: 1698000 11.8002 -25.0936 14.6193 -23.106 -14.4117 -2.90454 17.7502 -3.04265 8.64236 TIMING: 1698000 CPU: 5350.13, 0.00317305/step Wall: 5350.13, 0.00317305/step, 2.91039 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1698000 3981.7066 20418.3180 14438.2680 237.8275 -203109.7212 2445.0057 0.0000 0.0000 52167.3061 -109421.2892 299.8062 -161588.5953 -109055.3065 299.2552 163.7678 195.5801 762396.5043 2.1232 2.0103 PRESSURE: 1698200 -195.421 143.626 -120.58 143.627 -363.539 -1.66833 -120.58 -1.66829 -720.959 GPRESSURE: 1698200 -245.193 98.1181 -91.5742 55.5759 -246.254 96.3333 -157.018 -45.4561 -690.774 PRESSAVG: 1698200 -43.1791 -36.5925 -9.71201 -36.5925 -0.530629 -32.9414 -9.71206 -32.9416 -6.12644 GPRESSAVG: 1698200 -42.243 -37.7468 -9.42278 -36.9071 -0.439857 -32.5562 -11.0041 -33.5205 -6.51401 TIMING: 1698200 CPU: 5350.76, 0.00316233/step Wall: 5350.76, 0.00316233/step, 2.90038 hours remaining, 237.839844 MB of memory in use. ENERGY: 1698200 3986.3801 20479.7398 14495.9920 246.7342 -202783.6651 2290.4072 0.0000 0.0000 51859.1577 -109425.2541 298.0353 -161284.4118 -109060.1114 299.2947 -426.6396 -394.0734 763845.0387 -16.6121 -16.3990 PRESSURE: 1698400 -162.86 -219.04 167.469 -219.04 -233.087 -226.371 167.47 -226.371 -274.586 GPRESSURE: 1698400 -112.497 -127.148 -15.7433 -56.6421 -204.433 -237.998 254.766 -201.404 -277.8 PRESSAVG: 1698400 -59.457 3.58812 2.61225 3.58811 11.156 -16.2196 2.61224 -16.2195 5.45577 GPRESSAVG: 1698400 -59.6243 4.00044 2.32289 3.86437 13.1276 -17.0807 2.94107 -14.0899 3.59966 TIMING: 1698400 CPU: 5351.4, 0.00316445/step Wall: 5351.4, 0.00316445/step, 2.90215 hours remaining, 237.839844 MB of memory in use. ENERGY: 1698400 4051.4430 20458.8180 14443.1972 243.9154 -202837.1952 2337.8635 0.0000 0.0000 51904.5029 -109397.4553 298.2959 -161301.9581 -109032.0324 298.8749 -223.5109 -198.2433 762683.7037 -14.2817 -14.2990 PRESSURE: 1698600 -256.312 -119.479 -17.649 -119.48 -283.595 -192.916 -17.6496 -192.915 -292.881 GPRESSURE: 1698600 -201.87 -132.441 0.0135429 -141.316 -260.96 -293.855 -57.5561 -95.4745 -293.382 PRESSAVG: 1698600 31.2804 -27.1504 0.485752 -27.1504 -32.4167 -44.3546 0.485699 -44.3546 8.84534 GPRESSAVG: 1698600 31.2947 -27.341 0.288954 -28.2877 -32.7365 -42.3325 0.0089027 -44.7207 9.49959 TIMING: 1698600 CPU: 5352.03, 0.00315999/step Wall: 5352.03, 0.00315999/step, 2.89789 hours remaining, 237.839844 MB of memory in use. ENERGY: 1698600 3917.2977 20590.6297 14437.9268 243.8286 -203193.0715 2348.1461 0.0000 0.0000 52215.5104 -109439.7322 300.0833 -161655.2426 -109079.6988 299.1619 -277.5962 -252.0705 762648.3034 2.5697 2.6859 PRESSURE: 1698800 40.292 -17.5725 -263.006 -17.5723 187.864 19.5377 -263.005 19.5376 -94.3568 GPRESSURE: 1698800 77.3256 -25.131 -282.477 -70.5548 161.609 14.1285 -269.415 -1.84194 -33.303 PRESSAVG: 1698800 -22.4403 -8.16623 -36.0181 -8.16616 40.0273 -18.2265 -36.0181 -18.2265 -23.1591 GPRESSAVG: 1698800 -22.056 -6.34899 -35.4589 -7.45428 38.3424 -20.4033 -35.9899 -18.8384 -21.562 TIMING: 1698800 CPU: 5352.66, 0.0031693/step Wall: 5352.66, 0.0031693/step, 2.90625 hours remaining, 237.839844 MB of memory in use. ENERGY: 1698800 3975.7611 20541.9671 14527.1655 258.9551 -203321.9890 2570.5915 0.0000 0.0000 52053.2379 -109394.3108 299.1507 -161447.5487 -109034.3165 299.0482 44.5995 68.5440 763172.5445 -1.8574 -1.7585 PRESSURE: 1699000 -133.613 -101.512 -56.2694 -101.512 -296.438 172.537 -56.2698 172.535 -72.9665 GPRESSURE: 1699000 -130.845 -10.678 -92.4295 -83.6516 -208.089 100.094 -245.167 206.139 -65.5993 PRESSAVG: 1699000 37.7381 -29.646 34.3074 -29.6459 -26.6829 -65.8776 34.3073 -65.8776 7.18507 GPRESSAVG: 1699000 38.9743 -32.4983 33.5317 -30.3085 -25.7316 -63.9757 35.0704 -65.5051 5.95822 TIMING: 1699000 CPU: 5353.3, 0.00318466/step Wall: 5353.3, 0.00318466/step, 2.92016 hours remaining, 237.839844 MB of memory in use. ENERGY: 1699000 4026.2443 20534.7414 14500.9238 261.5021 -203653.6071 2588.2634 0.0000 0.0000 52280.0426 -109461.8894 300.4541 -161741.9320 -109089.6149 299.4245 -167.6728 -134.8445 760921.5512 6.0801 6.4003 PRESSURE: 1699200 233.048 -46.0241 81.1269 -46.0236 204.26 422.596 81.1271 422.596 166.383 GPRESSURE: 1699200 243.079 -52.3255 28.5767 -28.8221 312.92 378.686 -33.6059 228.746 152.445 PRESSAVG: 1699200 7.73187 -17.892 58.3478 -17.892 21.552 -32.5414 58.3477 -32.5414 18.7607 GPRESSAVG: 1699200 6.55797 -15.4246 59.5358 -18.6149 22.6507 -32.84 56.5839 -31.3774 18.9891 TIMING: 1699200 CPU: 5353.93, 0.00316582/step Wall: 5353.93, 0.00316582/step, 2.9027 hours remaining, 237.839844 MB of memory in use. ENERGY: 1699200 3980.6418 20496.5386 14475.4169 235.5668 -203634.7326 2760.5419 0.0000 0.0000 52123.3613 -109562.6654 299.5537 -161686.0267 -109194.1947 298.7072 201.2302 236.1480 759979.5288 16.0149 16.0659 PRESSURE: 1699400 348.243 -48.5096 -86.4799 -48.5091 74.3959 259.725 -86.4798 259.725 29.3268 GPRESSURE: 1699400 281.384 -135.16 24.2458 -112.591 106.075 180.838 -121.528 309.028 128.348 PRESSAVG: 1699400 -38.5276 -49.4623 47.6068 -49.4623 3.26754 -26.364 47.6068 -26.3639 3.51182 GPRESSAVG: 1699400 -39.056 -50.1613 48.4055 -49.3828 2.56411 -26.2524 48.2429 -26.8063 4.39895 TIMING: 1699400 CPU: 5354.57, 0.00319689/step Wall: 5354.57, 0.00319689/step, 2.93102 hours remaining, 237.839844 MB of memory in use. ENERGY: 1699400 3960.2673 20433.3244 14503.8189 240.2726 -203468.4803 2509.7260 0.0000 0.0000 52220.4153 -109600.6559 300.1114 -161821.0712 -109238.4060 298.9825 150.6552 171.9357 760052.9538 -10.5827 -10.6976 PRESSURE: 1699600 -78.0618 27.0273 53.8233 27.0273 -128.125 -98.2583 53.823 -98.2577 -257.038 GPRESSURE: 1699600 -150.338 108.297 1.47636 14.0698 -56.6755 0.0887713 58.7328 -229.789 -158.708 PRESSAVG: 1699600 -42.7609 -26.5986 15.7112 -26.5986 40.7496 -15.462 15.7112 -15.462 -19.7754 GPRESSAVG: 1699600 -43.8943 -26.9989 14.0231 -23.7473 41.2373 -14.9262 17.523 -14.853 -19.6567 TIMING: 1699600 CPU: 5355.21, 0.00321114/step Wall: 5355.21, 0.00321114/step, 2.9439 hours remaining, 237.839844 MB of memory in use. ENERGY: 1699600 3968.2586 20549.2473 14523.5717 235.6241 -203333.4719 2697.4491 0.0000 0.0000 51830.1863 -109529.1349 297.8688 -161359.3212 -109174.4729 298.5648 -154.4082 -121.9073 762162.7073 -7.2622 -7.4379 PRESSURE: 1699800 -390.042 27.8799 174.345 27.8809 -172.387 98.5406 174.345 98.5399 -11.4377 GPRESSURE: 1699800 -280.588 -3.82751 178.356 15.7841 -180.386 88.1602 29.2441 12.6087 -25.452 PRESSAVG: 1699800 -1.58335 -13.744 -3.09183 -13.744 -22.9256 2.29808 -3.09182 2.29807 0.194367 GPRESSAVG: 1699800 -0.0357213 -13.2302 -1.75644 -14.1218 -23.9501 2.277 -3.14032 1.29736 -0.856161 TIMING: 1699800 CPU: 5355.87, 0.0032606/step Wall: 5355.87, 0.0032606/step, 2.98906 hours remaining, 237.839844 MB of memory in use. ENERGY: 1699800 4018.7642 20501.1815 14478.5012 230.3787 -203577.4028 2577.6799 0.0000 0.0000 52119.9069 -109650.9904 299.5338 -161770.8973 -109285.3195 298.9512 -191.2888 -162.1420 760516.7267 -8.1048 -8.2807 PRESSURE: 1700000 314.388 122.393 -10.5756 122.394 305.352 120.726 -10.5756 120.724 261.788 GPRESSURE: 1700000 321.711 42.4586 -20.3764 -11.5394 325.003 91.3709 145.556 37.3995 305.523 PRESSAVG: 1700000 59.7946 -29.726 -26.8385 -29.726 18.665 -1.92813 -26.8385 -1.92822 -9.14691 GPRESSAVG: 1700000 59.0769 -29.9331 -27.0236 -31.8231 18.888 -2.49044 -28.2311 -2.03774 -8.4885 TIMING: 1700000 CPU: 5356.52, 0.00325581/step Wall: 5356.52, 0.00325581/step, 2.98449 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1700000 4009.8040 20566.6638 14540.7190 257.7278 -204145.9861 3013.5729 0.0000 0.0000 52199.9007 -109557.5979 299.9935 -161757.4985 -109196.7644 299.3331 293.8426 317.4121 760268.8172 23.1042 23.1588 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700200 -25.4724 15.4041 2.79401 15.4044 -83.8444 -44.8354 2.7941 -44.8356 -262.538 GPRESSURE: 1700200 11.3438 54.0209 -27.4272 16.4199 -6.53506 52.0786 49.8505 17.6754 -288.546 PRESSAVG: 1700200 32.5573 -46.6694 -18.9503 -46.6693 11.8801 12.137 -18.9503 12.1369 -6.28203 GPRESSAVG: 1700200 32.1861 -47.4952 -17.9846 -45.1876 11.9949 13.03 -21.4093 11.6058 -6.41761 TIMING: 1700200 CPU: 5357.18, 0.00332417/step Wall: 5357.18, 0.00332417/step, 3.04697 hours remaining, 237.839844 MB of memory in use. ENERGY: 1700200 4017.3925 20388.9864 14434.6569 230.0169 -203128.9690 2260.8966 0.0000 0.0000 52282.9031 -109514.1167 300.4706 -161797.0198 -109151.5313 299.3091 -123.9515 -94.5790 760276.0803 12.7184 12.5878 LDB: ============= START OF LOAD BALANCING ============== 5369.59 LDB: ============== END OF LOAD BALANCING =============== 5369.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5369.59 LDB: ============= START OF LOAD BALANCING ============== 5369.91 LDB: Largest compute 7034 load 0.036432 is 18.6% of average load 0.196079 LDB: Average compute 0.004375 is 2.2% of average load 0.196079 LDB: TIME 5369.92 LOAD: AVG 0.196079 MAX 0.21742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 5369.92 LOAD: AVG 0.196079 MAX 0.21742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 5369.92 LOAD: AVG 0.196079 MAX 0.21742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 5369.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5369.92 PRESSURE: 1700400 -125.984 -132.062 -83.8845 -132.062 -169.379 174.255 -83.8845 174.255 27.0741 GPRESSURE: 1700400 -153.283 -144.13 -114.48 -94.9116 -51.1955 78.4776 -215.253 199.11 32.1899 PRESSAVG: 1700400 -37.08 -46.5007 -30.2686 -46.5008 -10.4252 40.0794 -30.2686 40.0792 -28.6253 GPRESSAVG: 1700400 -37.076 -43.878 -32.2607 -46.3513 -9.75055 39.8835 -27.5022 37.1965 -28.6361 TIMING: 1700400 CPU: 5357.84, 0.00330335/step Wall: 5357.84, 0.00330335/step, 3.0277 hours remaining, 237.898438 MB of memory in use. ENERGY: 1700400 4003.4922 20546.7352 14411.8392 243.6926 -202719.3280 2168.4301 0.0000 0.0000 52037.9864 -109307.1523 299.0630 -161345.1387 -108934.3686 299.0359 -89.4296 -57.4295 761854.2532 -25.3769 -25.1542 PRESSURE: 1700600 -114.324 -71.0357 -202.644 -71.0355 8.84397 273.628 -202.644 273.629 -308.179 GPRESSURE: 1700600 -104.161 -69.0979 -203.955 -172.366 -18.6406 323.615 -99.8218 173.771 -210.622 PRESSAVG: 1700600 14.9018 -67.2479 -15.2562 -67.2479 -9.07793 22.4238 -15.2561 22.4237 19.0237 GPRESSAVG: 1700600 15.5606 -68.0351 -14.066 -67.349 -10.0098 22.8967 -15.6085 23.926 18.9318 TIMING: 1700600 CPU: 5358.49, 0.00323658/step Wall: 5358.49, 0.00323658/step, 2.96633 hours remaining, 238.101562 MB of memory in use. ENERGY: 1700600 3940.0545 20425.0882 14529.2629 279.6519 -203347.0668 2727.9503 0.0000 0.0000 52117.5160 -109327.5429 299.5201 -161445.0589 -108954.2340 299.5197 -137.8863 -111.1413 762247.6681 8.2825 8.1609 PRESSURE: 1700800 310.295 -183.855 -18.2293 -183.855 12.0503 89.9676 -18.2289 89.9667 -627.001 GPRESSURE: 1700800 319.817 -152.35 15.3869 -180.613 28.0567 94.9618 -126.025 72.8547 -555.729 PRESSAVG: 1700800 42.521 -60.3833 -26.4889 -60.3832 -28.5629 -26.6378 -26.4888 -26.6379 -24.9265 GPRESSAVG: 1700800 41.6092 -60.4041 -28.6974 -61.9066 -27.4864 -28.3781 -27.2016 -25.862 -25.5793 TIMING: 1700800 CPU: 5359.12, 0.00316909/step Wall: 5359.12, 0.00316909/step, 2.90429 hours remaining, 238.101562 MB of memory in use. ENERGY: 1700800 4077.7288 20521.8028 14524.1200 265.7910 -202801.0181 2261.1814 0.0000 0.0000 51977.0911 -109173.3031 298.7131 -161150.3942 -108801.6829 299.6727 -101.5517 -69.2849 762327.4551 -3.6561 -3.8188 PRESSURE: 1701000 40.511 -4.69094 -240.996 -4.6909 276.706 -17.4055 -240.996 -17.4055 -65.271 GPRESSURE: 1701000 121.755 -51.9229 -295.761 -74.7291 271.275 47.6584 -235.358 23.6205 -72.3281 PRESSAVG: 1701000 29.6004 -48.7693 -31.3006 -48.7693 0.464793 -12.8715 -31.3007 -12.8715 -8.18646 GPRESSAVG: 1701000 30.9172 -48.3035 -29.7447 -48.4523 0.245002 -13.1089 -30.4645 -10.2866 -9.23738 TIMING: 1701000 CPU: 5359.76, 0.00317532/step Wall: 5359.76, 0.00317532/step, 2.90982 hours remaining, 238.101562 MB of memory in use. ENERGY: 1701000 4054.9024 20563.8666 14560.0590 240.1085 -203736.7118 3042.0672 0.0000 0.0000 52028.7991 -109246.9090 299.0102 -161275.7081 -108893.3036 299.5027 83.9821 106.9005 760839.3232 7.2929 7.3083 PRESSURE: 1701200 -93.6706 40.6742 256.207 40.6734 185.441 72.3689 256.208 72.3686 -13.2231 GPRESSURE: 1701200 45.1781 -16.1279 273.325 -50.3354 151.594 55.7359 206.626 45.8305 -30.7972 PRESSAVG: 1701200 76.95 -62.7878 66.5285 -62.7878 18.9113 6.6097 66.5286 6.60964 -4.96482 GPRESSAVG: 1701200 76.8128 -63.5153 66.4931 -63.2929 17.8932 7.81404 65.5429 5.24117 -4.07385 TIMING: 1701200 CPU: 5360.39, 0.00316353/step Wall: 5360.39, 0.00316353/step, 2.89885 hours remaining, 238.101562 MB of memory in use. ENERGY: 1701200 4035.6696 20555.1074 14532.0227 239.7414 -203128.6186 2463.5347 0.0000 0.0000 51902.6224 -109399.9205 298.2851 -161302.5429 -109039.8583 299.5044 26.1824 55.3248 760985.4287 30.2988 30.2107 PRESSURE: 1701400 -70.31 -26.1833 -12.8407 -26.1829 93.8224 222.856 -12.8404 222.856 148.16 GPRESSURE: 1701400 -27.3211 -41.7459 -41.8143 -59.1173 174.701 197.71 14.7428 206.525 97.169 PRESSAVG: 1701400 -0.22294 -67.0577 83.7021 -67.0577 4.30954 16.2682 83.7021 16.2682 -21.9446 GPRESSAVG: 1701400 -0.576172 -68.2712 84.2444 -65.8103 3.92818 14.7303 85.3436 16.8888 -21.6096 TIMING: 1701400 CPU: 5361.02, 0.00315756/step Wall: 5361.02, 0.00315756/step, 2.89321 hours remaining, 238.101562 MB of memory in use. ENERGY: 1701400 4001.8395 20472.0162 14389.9110 230.4310 -203662.1594 2909.5231 0.0000 0.0000 52253.0174 -109405.4211 300.2988 -161658.4385 -109048.5415 299.0178 57.2242 81.5163 762151.6809 -5.9527 -6.0859 PRESSURE: 1701600 -516.393 118.642 139.716 118.642 162.222 -209.018 139.715 -209.017 -91.9435 GPRESSURE: 1701600 -377.004 58.1271 219.475 -26.7428 160.499 -182.275 98.2322 -149.492 -150.567 PRESSAVG: 1701600 -6.37161 -81.2127 18.9548 -81.2127 12.305 10.4611 18.9547 10.4612 18.2665 GPRESSAVG: 1701600 -6.39961 -78.9986 19.8212 -82.2108 12.5628 12.5793 17.6599 10.8719 17.7832 TIMING: 1701600 CPU: 5361.66, 0.00319588/step Wall: 5361.66, 0.00319587/step, 2.92813 hours remaining, 238.101562 MB of memory in use. ENERGY: 1701600 3952.4251 20506.7904 14474.5069 232.2812 -202802.1155 2303.0400 0.0000 0.0000 51748.1510 -109584.9209 297.3973 -161333.0719 -109229.7971 298.6603 -148.7046 -122.3574 762004.4879 8.0666 7.9821 PRESSURE: 1701800 348.408 -166.641 -100.173 -166.641 389.71 -37.7867 -100.173 -37.7882 -150.52 GPRESSURE: 1701800 333.3 -192.977 -161.77 -170.304 464.511 -25.8446 -19.1011 -112.651 -119.924 PRESSAVG: 1701800 -2.99779 -68.8162 4.93635 -68.8161 5.63974 25.5081 4.93631 25.508 27.0219 GPRESSAVG: 1701800 -3.76551 -70.4365 3.62858 -68.9425 6.61133 24.127 4.32063 23.925 26.4786 TIMING: 1701800 CPU: 5362.29, 0.00316231/step Wall: 5362.29, 0.00316231/step, 2.8972 hours remaining, 238.101562 MB of memory in use. ENERGY: 1701800 3984.1910 20466.6792 14461.9077 247.2834 -203763.1145 3010.0634 0.0000 0.0000 52124.5061 -109468.4837 299.5603 -161592.9898 -109103.8673 299.0599 195.8660 225.9624 759529.8624 9.8880 9.7748 PRESSURE: 1702000 -262.738 -106.589 -24.0381 -106.589 -15.2518 133.786 -24.0385 133.786 -281.011 GPRESSURE: 1702000 -188.656 -133.072 7.26788 -226.917 82.9031 50.7428 -49.825 -16.0488 -358.524 PRESSAVG: 1702000 -59.178 -61.8962 29.377 -61.8962 57.715 -5.57435 29.3771 -5.5743 2.75257 GPRESSAVG: 1702000 -59.3997 -62.9215 29.591 -62.2049 58.2157 -4.11266 28.8322 -7.26031 2.16338 TIMING: 1702000 CPU: 5362.93, 0.00317077/step Wall: 5362.93, 0.00317077/step, 2.90478 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1702000 4045.3842 20380.1506 14477.0367 265.1556 -202964.4220 2272.9458 0.0000 0.0000 52035.1822 -109488.5669 299.0469 -161523.7490 -109131.9836 299.4482 -186.3337 -154.7587 760057.1637 0.4299 0.3264 PRESSURE: 1702200 2.78566 -43.9763 65.2199 -43.976 -18.6551 -49.914 65.2195 -49.9147 -411.755 GPRESSURE: 1702200 86.047 -70.138 62.4305 -42.8491 -48.4917 -86.3739 166.302 73.8822 -386.943 PRESSAVG: 1702200 2.36053 -52.3769 11.2278 -52.3769 24.0921 -32.4642 11.2278 -32.4642 -14.933 GPRESSAVG: 1702200 3.96413 -53.2006 11.0612 -50.3763 22.9561 -33.9152 13.2852 -30.9494 -15.078 TIMING: 1702200 CPU: 5363.57, 0.00319057/step Wall: 5363.57, 0.00319057/step, 2.92274 hours remaining, 238.101562 MB of memory in use. ENERGY: 1702200 3911.1354 20398.0626 14514.1530 272.6550 -202758.9678 2456.1316 0.0000 0.0000 51918.5541 -109288.2761 298.3766 -161206.8302 -108927.1762 299.2512 -142.5415 -116.4624 762496.2438 3.8399 3.9474 PRESSURE: 1702400 -76.0491 -74.389 -254.115 -74.389 149.749 -58.5543 -254.115 -58.5537 -241.862 GPRESSURE: 1702400 -143.14 -61.3503 -207.423 -45.0578 233.902 -72.4145 -22.9295 39.5029 -190.645 PRESSAVG: 1702400 -41.3763 12.9094 -3.68985 12.9094 19.1514 -7.53262 -3.68986 -7.53266 -21.1888 GPRESSAVG: 1702400 -43.1369 14.7091 -3.15848 12.902 19.0575 -7.36491 -4.55312 -6.37614 -20.2053 TIMING: 1702400 CPU: 5364.2, 0.00318469/step Wall: 5364.2, 0.00318469/step, 2.91717 hours remaining, 238.101562 MB of memory in use. ENERGY: 1702400 3948.9453 20500.0420 14456.6302 227.9612 -202554.9372 2070.2596 0.0000 0.0000 52221.6034 -109129.4955 300.1183 -161351.0990 -108760.2610 298.8105 -56.0539 -33.2943 762362.4376 -14.4712 -14.7616 PRESSURE: 1702600 -7.89778 148.929 -79.0515 148.928 -184.001 -24.9574 -79.0519 -24.957 -45.1295 GPRESSURE: 1702600 6.30507 78.1534 95.0636 171.507 -119.17 74.6097 -133.557 -22.791 -50.7448 PRESSAVG: 1702600 -33.1521 -38.9429 -0.997893 -38.9429 50.7744 -8.33437 -0.997931 -8.33438 -5.11916 GPRESSAVG: 1702600 -32.6715 -41.3123 -1.69044 -38.2219 50.6321 -8.59237 -0.444318 -8.6742 -4.37899 TIMING: 1702600 CPU: 5364.84, 0.00317825/step Wall: 5364.84, 0.00317825/step, 2.9111 hours remaining, 238.101562 MB of memory in use. ENERGY: 1702600 4008.9367 20518.4731 14432.3118 243.1121 -202759.6533 2476.6460 0.0000 0.0000 51941.8367 -109138.3368 298.5104 -161080.1735 -108782.1584 299.4626 -79.0095 -54.5365 762581.4050 4.1677 4.5272 PRESSURE: 1702800 -253.048 173.496 -6.2248 173.497 254.854 -168.805 -6.22511 -168.806 -22.0641 GPRESSURE: 1702800 -153.09 221.063 72.6952 137.557 259.427 -146.079 -38.0892 -133.073 -39.1071 PRESSAVG: 1702800 -59.1932 -17.7572 24.3593 -17.7572 39.936 -1.62554 24.3593 -1.6256 4.51868 GPRESSAVG: 1702800 -58.95 -14.9588 25.0782 -19.297 40.0688 -1.02769 22.5833 0.821837 3.6706 TIMING: 1702800 CPU: 5365.47, 0.00318077/step Wall: 5365.47, 0.00318077/step, 2.91323 hours remaining, 238.101562 MB of memory in use. ENERGY: 1702800 4042.9642 20657.5823 14454.3411 226.2758 -203052.5817 2477.1869 0.0000 0.0000 52330.9347 -108863.2967 300.7466 -161194.2314 -108509.8876 300.0773 -6.7527 22.4100 762402.6659 -4.9128 -5.0702 PRESSURE: 1703000 36.4579 -139.84 -62.618 -139.841 72.8441 -145.902 -62.6189 -145.903 247.559 GPRESSURE: 1703000 146.681 -41.1301 -66.2748 -103.266 80.6663 -108.448 2.37455 -239.055 191.995 PRESSAVG: 1703000 -35.1564 -40.5506 36.9144 -40.5505 58.682 6.39595 36.9145 6.39601 -15.0826 GPRESSAVG: 1703000 -35.8194 -40.1582 36.6897 -39.4781 58.6157 5.16883 37.7428 4.79596 -14.1687 TIMING: 1703000 CPU: 5366.11, 0.00317736/step Wall: 5366.11, 0.00317736/step, 2.90993 hours remaining, 238.101562 MB of memory in use. ENERGY: 1703000 3988.4837 20475.9629 14471.8255 245.6221 -203145.3057 2674.0813 0.0000 0.0000 52271.7644 -109017.5659 300.4065 -161289.3302 -108648.4191 300.2498 118.9538 139.7809 761313.8385 2.8143 2.8759 PRESSURE: 1703200 -295.119 -24.0918 371.053 -24.0919 55.1365 -234.456 371.052 -234.457 69.8142 GPRESSURE: 1703200 -219.393 -232.798 401.556 -86.257 51.2421 -138.601 298.622 -101.35 79.4241 PRESSAVG: 1703200 -39.709 -52.6525 65.1311 -52.6526 32.9445 -35.41 65.1312 -35.41 9.16975 GPRESSAVG: 1703200 -38.3677 -54.8208 65.1719 -52.5272 32.0809 -33.7674 64.398 -36.2337 8.15989 TIMING: 1703200 CPU: 5366.75, 0.00321501/step Wall: 5366.75, 0.00321501/step, 2.94423 hours remaining, 238.101562 MB of memory in use. ENERGY: 1703200 3904.2953 20758.1639 14474.8611 254.1250 -203027.2325 2499.4071 0.0000 0.0000 51969.1313 -109167.2489 298.6673 -161136.3801 -108816.5653 300.4103 -56.7229 -29.5756 762509.6213 0.8017 0.6244 PRESSURE: 1703400 368.013 -1.24078 -98.7286 -1.24109 -271.874 -219.435 -98.7286 -219.435 -19.1901 GPRESSURE: 1703400 310.404 45.0972 -222.016 72.9014 -119.736 -284.512 -69.4872 -242.354 -26.4802 PRESSAVG: 1703400 -63.8602 -4.8633 -4.06712 -4.86327 74.4844 -85.7406 -4.0671 -85.7407 3.28791 GPRESSAVG: 1703400 -65.3724 -5.14426 -5.65993 -4.71691 74.7641 -86.2512 -5.39666 -86.5166 4.0021 TIMING: 1703400 CPU: 5367.39, 0.00317907/step Wall: 5367.39, 0.00317907/step, 2.91114 hours remaining, 238.101562 MB of memory in use. ENERGY: 1703400 4028.1626 20456.6572 14465.8905 245.4386 -203382.3920 2782.5060 0.0000 0.0000 52243.9559 -109159.7811 300.2467 -161403.7370 -108800.5141 299.8738 25.6495 54.7293 759677.5452 4.6374 4.4646 PRESSURE: 1703600 -71.5282 -126.607 215.932 -126.607 -19.2059 -241.161 215.932 -241.162 24.0149 GPRESSURE: 1703600 -58.2478 -143.479 219.701 -78.2238 30.512 -214.638 248.649 -161.936 71.2013 PRESSAVG: 1703600 -50.9988 0.929837 -14.2596 0.929945 45.771 -56.0611 -14.2596 -56.0611 15.1647 GPRESSAVG: 1703600 -50.7042 2.94683 -11.2929 0.871803 46.4418 -56.3638 -15.195 -53.5439 14.6059 TIMING: 1703600 CPU: 5368.02, 0.00317262/step Wall: 5368.02, 0.00317262/step, 2.90506 hours remaining, 238.101562 MB of memory in use. ENERGY: 1703600 4014.2341 20505.4416 14458.7371 245.1938 -202952.0148 2419.6320 0.0000 0.0000 52132.8307 -109175.9456 299.6081 -161308.7763 -108811.1655 300.2350 -22.2397 14.4885 760745.2931 3.3123 3.4478 PRESSURE: 1703800 214.115 -58.4721 198.307 -58.4707 -111.318 -262.292 198.306 -262.293 175.26 GPRESSURE: 1703800 284.413 -94.9029 164.473 -16.3409 -124.062 -323.474 171.844 -217.298 218.703 PRESSAVG: 1703800 -8.01495 -12.0031 61.6058 -12.0031 11.2176 -62.7122 61.6057 -62.7122 -5.39121 GPRESSAVG: 1703800 -8.69948 -14.4018 61.355 -11.9299 11.9368 -63.5635 63.3192 -65.9648 -5.14031 TIMING: 1703800 CPU: 5368.66, 0.00317801/step Wall: 5368.66, 0.00317801/step, 2.90982 hours remaining, 238.101562 MB of memory in use. ENERGY: 1703800 4061.6743 20496.5877 14428.6452 263.0373 -203329.6780 2775.0526 0.0000 0.0000 52195.1278 -109109.5531 299.9661 -161304.6809 -108744.4922 299.8266 92.6856 126.3512 760453.2051 -0.7295 -0.6343 PRESSURE: 1704000 49.5172 -130.136 139.551 -130.137 -60.7949 38.2783 139.551 38.2785 -305.461 GPRESSURE: 1704000 144.991 -169.963 164.41 -93.4578 -104.281 32.8862 81.4253 18.5659 -273.246 PRESSAVG: 1704000 58.495 -49.3978 22.3721 -49.3978 -48.6037 32.203 22.3721 32.2031 31.3917 GPRESSAVG: 1704000 58.9782 -47.7491 22.1474 -49.8126 -49.7314 31.9656 22.5921 33.0318 32.0976 TIMING: 1704000 CPU: 5369.29, 0.00315389/step Wall: 5369.29, 0.00315389/step, 2.88756 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1704000 3939.6769 20604.3211 14415.2594 243.8362 -203143.2822 2573.4840 0.0000 0.0000 52245.4791 -109121.2255 300.2555 -161366.7046 -108753.4787 299.3566 -105.5796 -77.5121 763861.4843 13.7610 13.7815 PRESSURE: 1704200 -41.8628 -10.946 -122.405 -10.9458 -76.0387 -123.552 -122.404 -123.552 -94.5875 GPRESSURE: 1704200 34.1145 -72.7189 -167.859 -55.3689 -45.0794 -152.931 -23.9718 -110.442 -118.041 PRESSAVG: 1704200 17.2972 0.119542 -24.9191 0.119565 -16.9086 26.5436 -24.9192 26.5436 -40.8553 GPRESSAVG: 1704200 17.9664 -1.25584 -26.291 1.90609 -16.6408 27.5401 -22.7953 28.296 -41.7274 TIMING: 1704200 CPU: 5369.93, 0.00319059/step Wall: 5369.93, 0.00319059/step, 2.92098 hours remaining, 238.101562 MB of memory in use. ENERGY: 1704200 4057.7988 20631.4118 14495.3527 269.4601 -203238.0279 2600.9333 0.0000 0.0000 52116.1539 -109066.9173 299.5123 -161183.0712 -108708.8603 299.5927 -70.8297 -43.0020 762518.0014 -13.4889 -13.4673 LDB: ============= START OF LOAD BALANCING ============== 5382.33 LDB: ============== END OF LOAD BALANCING =============== 5382.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5382.33 LDB: ============= START OF LOAD BALANCING ============== 5382.66 LDB: Largest compute 7034 load 0.036246 is 18.5% of average load 0.195904 LDB: Average compute 0.004385 is 2.2% of average load 0.195904 LDB: TIME 5382.66 LOAD: AVG 0.195904 MAX 0.220383 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 5382.66 LOAD: AVG 0.195904 MAX 0.220383 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: TIME 5382.66 LOAD: AVG 0.195904 MAX 0.21732 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: ============== END OF LOAD BALANCING =============== 5382.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5382.67 PRESSURE: 1704400 176.778 37.4816 6.11647 37.4821 -239.154 -84.1244 6.11718 -84.1233 0.1575 GPRESSURE: 1704400 208.292 -83.5476 -21.615 139.569 -186.111 -63.1191 -7.69744 -101.663 -9.89349 PRESSAVG: 1704400 -23.4023 -31.3017 3.13782 -31.3018 3.24382 -87.5469 3.13775 -87.5469 -1.01892 GPRESSAVG: 1704400 -23.8965 -30.8717 3.61635 -33.2968 3.62232 -85.6613 0.55967 -88.7781 -0.848657 TIMING: 1704400 CPU: 5370.58, 0.00327941/step Wall: 5370.58, 0.00327941/step, 3.00212 hours remaining, 238.207031 MB of memory in use. ENERGY: 1704400 4050.8789 20498.0261 14447.9618 239.2855 -202755.3228 2315.8121 0.0000 0.0000 51959.5009 -109243.8575 298.6120 -161203.3584 -108878.1091 299.5374 -20.7394 4.0959 761939.2229 -7.0591 -7.0409 PRESSURE: 1704600 -152.948 -24.9509 220.246 -24.9508 33.3016 206.993 220.246 206.993 -364.756 GPRESSURE: 1704600 -199.857 -39.3492 213.563 10.1211 81.4519 124.634 154.004 149.255 -270.192 PRESSAVG: 1704600 1.61766 -15.2983 -11.4135 -15.2983 20.0863 -17.6773 -11.4136 -17.6774 -8.94697 GPRESSAVG: 1704600 1.90809 -14.446 -12.6248 -14.2556 20.1659 -18.5991 -10.3342 -17.5364 -9.62793 TIMING: 1704600 CPU: 5371.23, 0.00321468/step Wall: 5371.23, 0.00321468/step, 2.94268 hours remaining, 238.207031 MB of memory in use. ENERGY: 1704600 3980.1186 20565.0217 14403.1395 251.8421 -203146.1557 2523.6361 0.0000 0.0000 51785.1292 -109637.2684 297.6098 -161422.3976 -109271.1121 298.7476 -161.4675 -129.5324 762195.8310 4.2523 4.1487 PRESSURE: 1704800 -158.693 -306.657 -150.326 -306.657 -175.94 82.49 -150.326 82.4914 69.0009 GPRESSURE: 1704800 -55.5742 -301.412 -55.01 -300.576 -181.565 46.4948 -99.5741 67.9865 41.2936 PRESSAVG: 1704800 14.1243 -10.1966 8.6623 -10.1966 -19.9429 -101.457 8.66232 -101.457 29.4264 GPRESSAVG: 1704800 14.7193 -11.8751 9.87172 -7.79366 -20.5251 -102.277 8.15352 -101.96 29.7774 TIMING: 1704800 CPU: 5371.86, 0.00316468/step Wall: 5371.86, 0.00316468/step, 2.89674 hours remaining, 238.207031 MB of memory in use. ENERGY: 1704800 3947.1464 20746.9280 14440.3484 234.8905 -203470.4567 2744.6020 0.0000 0.0000 51527.4821 -109829.0594 296.1291 -161356.5415 -109482.5725 297.8294 -88.5440 -65.2817 762467.6008 7.8693 7.9905 PRESSURE: 1705000 159.244 10.4988 178.119 10.4995 51.4943 -69.8342 178.119 -69.8355 66.2115 GPRESSURE: 1705000 154.753 -63.9269 114.801 -48.8614 77.5736 -53.2396 180.481 -42.1093 110.575 PRESSAVG: 1705000 61.4243 -34.4737 47.5417 -34.4736 -81.7761 12.344 47.5417 12.3441 3.14014 GPRESSAVG: 1705000 59.0833 -36.1165 48.9284 -37.0498 -81.0257 12.078 46.4859 12.9216 4.46737 TIMING: 1705000 CPU: 5372.49, 0.00316425/step Wall: 5372.49, 0.00316425/step, 2.89616 hours remaining, 238.207031 MB of memory in use. ENERGY: 1705000 3960.2572 20583.9209 14427.9361 245.2316 -203263.9114 2444.1696 0.0000 0.0000 51764.3293 -109838.0669 297.4903 -161602.3962 -109479.0643 298.0224 92.3167 114.3006 762562.9755 -5.7372 -5.8250 PRESSURE: 1705200 4.78916 -188.102 -94.83 -188.102 30.6823 -46.6336 -94.8299 -46.6341 -28.4411 GPRESSURE: 1705200 73.7741 -193.821 -151.792 -119.913 81.2404 79.4071 -95.0442 -9.53383 -47.5081 PRESSAVG: 1705200 0.658226 -33.8342 13.4477 -33.8342 -3.68872 -41.1704 13.4476 -41.1704 -6.63668 GPRESSAVG: 1705200 3.16995 -32.629 11.4119 -32.1352 -5.56212 -40.9779 14.4505 -40.0255 -7.0989 TIMING: 1705200 CPU: 5373.14, 0.00322733/step Wall: 5373.14, 0.00322733/step, 2.95372 hours remaining, 238.207031 MB of memory in use. ENERGY: 1705200 3986.0730 20359.9717 14427.4434 255.8777 -203710.2728 2909.6086 0.0000 0.0000 51913.6437 -109857.6548 298.3484 -161771.2984 -109495.3237 297.3705 2.3435 35.8355 761324.3397 -3.2224 -3.1637 PRESSURE: 1705400 92.943 35.5154 105.534 35.5155 -29.3193 -79.1131 105.534 -79.1119 188.59 GPRESSURE: 1705400 154.97 77.9645 87.901 40.8379 36.6807 -18.5697 84.1494 -128.197 142.925 PRESSAVG: 1705400 26.6057 -16.8874 47.6511 -16.8873 -61.5887 -103.086 47.6512 -103.086 -33.7568 GPRESSAVG: 1705400 25.7269 -15.2142 48.5936 -19.4085 -58.6407 -102.57 47.4731 -104.458 -35.7655 TIMING: 1705400 CPU: 5373.78, 0.00320597/step Wall: 5373.78, 0.00320597/step, 2.93399 hours remaining, 238.207031 MB of memory in use. ENERGY: 1705400 3947.0398 20396.7059 14402.6817 246.8637 -203220.0631 2523.4243 0.0000 0.0000 51723.6958 -109979.6519 297.2568 -161703.3477 -109622.8851 297.8618 84.0714 111.5253 761894.8719 -22.9133 -22.8931 PRESSURE: 1705600 -296.237 175.675 -39.2689 175.676 51.9481 -16.9745 -39.2688 -16.9748 58.6024 GPRESSURE: 1705600 -232.4 211.959 -12.7793 99.2066 12.9911 -40.2179 57.6463 -83.064 113.765 PRESSAVG: 1705600 86.0268 22.5136 -15.804 22.5137 -40.9396 32.279 -15.804 32.279 20.3928 GPRESSAVG: 1705600 86.1928 22.1065 -16.2191 22.5078 -43.6474 30.0622 -15.7331 33.4394 22.3119 TIMING: 1705600 CPU: 5374.42, 0.00320334/step Wall: 5374.42, 0.00320334/step, 2.93141 hours remaining, 238.207031 MB of memory in use. ENERGY: 1705600 3926.8268 20400.2892 14383.2961 250.9711 -203403.7863 2493.6904 0.0000 0.0000 51956.5700 -109992.1427 298.5951 -161948.7128 -109633.7438 298.2552 -61.8953 -35.2146 761715.7840 21.8266 21.6191 PRESSURE: 1705800 45.4997 -50.0252 -78.5359 -50.0254 52.8259 -131.28 -78.5355 -131.28 373.65 GPRESSURE: 1705800 136.709 -45.68 -135.861 -122.205 152.957 -8.58365 -151.9 -132.927 274.955 PRESSAVG: 1705800 47.1865 -39.4377 72.747 -39.4377 -44.449 -24.2669 72.747 -24.2669 23.8882 GPRESSAVG: 1705800 46.2547 -40.742 73.342 -40.395 -43.1454 -22.2342 70.9079 -26.5739 22.9729 TIMING: 1705800 CPU: 5375.06, 0.00320234/step Wall: 5375.06, 0.00320234/step, 2.93032 hours remaining, 238.207031 MB of memory in use. ENERGY: 1705800 4007.1432 20489.2230 14426.0615 217.3452 -203651.5875 2581.7882 0.0000 0.0000 51874.0749 -110055.9514 298.1210 -161930.0264 -109698.1965 298.3775 157.3253 188.2072 759606.7280 8.8752 8.6941 PRESSURE: 1706000 157.848 -23.9905 88.9669 -23.9905 -193.041 -134.813 88.9676 -134.812 19.9601 GPRESSURE: 1706000 120.915 107.596 172.698 50.8855 -132.638 -46.1518 62.715 -84.6666 63.791 PRESSAVG: 1706000 15.6707 -23.6698 70.3905 -23.6698 6.356 -41.3467 70.3905 -41.3468 -9.41211 GPRESSAVG: 1706000 14.4875 -22.7223 70.0778 -21.3015 6.62033 -41.7726 71.8834 -40.3729 -7.87789 TIMING: 1706000 CPU: 5375.7, 0.00321103/step Wall: 5375.7, 0.00321103/step, 2.93809 hours remaining, 238.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1706000 3910.9475 20350.8503 14441.9745 235.5376 -203735.2229 2694.7641 0.0000 0.0000 51992.3018 -110108.8471 298.8005 -162101.1489 -109744.6612 297.6184 -5.0776 17.3558 759481.3081 4.2049 4.4100 PRESSURE: 1706200 245.692 70.6872 78.3431 70.6875 90.3325 -139.051 78.3431 -139.051 141.589 GPRESSURE: 1706200 283.522 10.7801 74.9106 96.8095 147.613 -69.4339 211.28 -35.1227 124.899 PRESSAVG: 1706200 11.094 -16.5496 -5.32581 -16.5496 13.8394 -51.0828 -5.32578 -51.0829 -11.6164 GPRESSAVG: 1706200 10.1216 -16.9285 -5.84156 -17.986 14.6596 -51.2436 -3.99259 -50.8539 -11.5711 TIMING: 1706200 CPU: 5376.34, 0.00316395/step Wall: 5376.34, 0.00316395/step, 2.89484 hours remaining, 238.207031 MB of memory in use. ENERGY: 1706200 3968.2036 20483.4761 14409.9427 271.2964 -203771.7837 2792.1982 0.0000 0.0000 51869.9926 -109976.6741 298.0976 -161846.6667 -109623.8410 297.9699 159.2044 185.3448 761030.9520 4.4390 4.4034 PRESSURE: 1706400 138.614 -224.392 -35.6392 -224.392 391.32 -110.902 -35.6392 -110.903 451.696 GPRESSURE: 1706400 210.468 -173.771 -46.1509 -267.346 477.045 -59.132 -3.61951 -40.0265 354.991 PRESSAVG: 1706400 -38.0756 -13.4858 69.9463 -13.4858 51.9969 -47.4818 69.9463 -47.4817 9.05121 GPRESSAVG: 1706400 -36.7752 -12.978 70.3703 -13.0701 51.7183 -47.2999 70.4363 -45.7448 7.82048 TIMING: 1706400 CPU: 5376.97, 0.0031971/step Wall: 5376.97, 0.0031971/step, 2.92499 hours remaining, 238.207031 MB of memory in use. ENERGY: 1706400 3880.7500 20668.8877 14439.4899 246.6776 -203950.2920 3020.9414 0.0000 0.0000 51765.4702 -109928.0752 297.4969 -161693.5454 -109575.2130 297.7112 327.2099 347.5009 761686.3226 7.6575 7.5879 PRESSURE: 1706600 -100.746 215.63 224.333 215.631 137.453 -25.2233 224.332 -25.2231 495.685 GPRESSURE: 1706600 -67.3284 170.338 187.944 184.174 127.097 30.2215 143.799 -84.5406 552.764 PRESSAVG: 1706600 -46.7741 -14.7549 51.0893 -14.7549 49.459 -31.3844 51.0894 -31.3844 25.3475 GPRESSAVG: 1706600 -46.4951 -15.1711 50.1205 -15.7065 48.2283 -30.9756 52.3913 -33.4381 26.2985 TIMING: 1706600 CPU: 5377.61, 0.00318601/step Wall: 5377.61, 0.00318601/step, 2.91466 hours remaining, 238.207031 MB of memory in use. ENERGY: 1706600 3934.7154 20529.5266 14355.4295 265.1521 -203337.3895 2619.7748 0.0000 0.0000 51699.4813 -109933.3098 297.1176 -161632.7911 -109580.0622 298.0292 177.4638 204.1775 762006.6287 9.3441 9.3439 PRESSURE: 1706800 479.086 -262.09 -132.821 -262.09 490.894 -37.7947 -132.821 -37.7944 256.29 GPRESSURE: 1706800 542.114 -212.028 -166.713 -269.207 545.116 -34.8003 -105.372 -118.214 217.222 PRESSAVG: 1706800 0.48614 12.7994 91.6156 12.7995 -2.24801 -12.3989 91.6156 -12.3989 -0.400046 GPRESSAVG: 1706800 0.844988 14.9912 92.2731 12.2931 -2.26568 -13.2045 89.3215 -10.8901 -0.710748 TIMING: 1706800 CPU: 5378.25, 0.00319872/step Wall: 5378.25, 0.00319872/step, 2.92612 hours remaining, 238.207031 MB of memory in use. ENERGY: 1706800 3963.1793 20394.9599 14462.4941 254.5288 -203791.6026 3123.0864 0.0000 0.0000 51796.4149 -109796.9392 297.6747 -161593.3541 -109435.7484 297.9010 408.7567 434.8172 761678.5527 -0.7206 -0.7105 PRESSURE: 1707000 164.124 66.559 -15.0089 66.5585 -20.865 32.1766 -15.0098 32.1753 113.052 GPRESSURE: 1707000 97.4717 36.1752 -127.53 54.4969 49.8987 88.787 43.2284 -60.5493 184.892 PRESSAVG: 1707000 -3.75767 -12.915 25.1664 -12.9149 39.9802 -1.12521 25.1664 -1.12522 -11.3445 GPRESSAVG: 1707000 -3.65117 -14.6056 25.257 -12.6822 40.5509 -0.879656 24.3707 -5.01433 -12.0965 TIMING: 1707000 CPU: 5378.89, 0.00317405/step Wall: 5378.89, 0.00317405/step, 2.90337 hours remaining, 238.207031 MB of memory in use. ENERGY: 1707000 3976.2225 20658.3840 14446.2357 256.8040 -203336.6847 2509.9510 0.0000 0.0000 51722.6368 -109766.4507 297.2507 -161489.0875 -109421.4158 298.0325 85.4370 110.7542 762080.6688 8.2927 8.2678 PRESSURE: 1707200 131.416 -20.3154 -116.638 -20.316 40.7453 283.895 -116.639 283.895 98.1869 GPRESSURE: 1707200 113.62 -125.37 -116.918 -58.5042 155.157 263.163 -73.2713 350.416 86.9977 PRESSAVG: 1707200 -3.28185 11.1166 47.7275 11.1165 -13.3175 -20.6754 47.7275 -20.6753 5.61732 GPRESSAVG: 1707200 -4.62738 11.6777 48.1405 11.2915 -13.176 -20.3058 46.0781 -19.0014 7.10069 TIMING: 1707200 CPU: 5379.52, 0.00315834/step Wall: 5379.52, 0.00315834/step, 2.88883 hours remaining, 238.207031 MB of memory in use. ENERGY: 1707200 3950.1690 20348.6605 14413.9544 236.3282 -203101.7602 2619.9665 0.0000 0.0000 51844.3196 -109688.3620 297.9500 -161532.6816 -109318.3926 298.3385 90.1159 118.5916 763539.6777 -3.6607 -3.5676 PRESSURE: 1707400 144.223 -6.63517 -302.753 -6.63524 578.398 -131.695 -302.753 -131.693 367.34 GPRESSURE: 1707400 254.028 31.7544 -322.196 14.7825 509.63 -234.919 -227.585 -57.8306 411.705 PRESSAVG: 1707400 9.83466 26.7873 28.3507 26.7874 -13.1799 29.8758 28.3507 29.8758 -5.44461 GPRESSAVG: 1707400 11.1199 27.1605 29.9079 28.5553 -14.078 29.0275 32.0157 32.3909 -6.16234 TIMING: 1707400 CPU: 5380.15, 0.00316504/step Wall: 5380.15, 0.00316504/step, 2.89478 hours remaining, 238.207031 MB of memory in use. ENERGY: 1707400 4033.7430 20412.6183 14470.3635 243.7752 -203414.8006 2896.9188 0.0000 0.0000 51964.1654 -109393.2164 298.6388 -161357.3818 -109036.3842 298.6473 363.3205 391.7877 761460.2884 -2.9300 -3.0401 PRESSURE: 1707600 248.448 -30.4423 -153.672 -30.442 -281.968 223.879 -153.671 223.879 31.7924 GPRESSURE: 1707600 188.887 -72.4266 -241.571 47.6205 -191.276 219.607 -40.5841 94.0544 73.8048 PRESSAVG: 1707600 4.97406 29.2574 -33.4306 29.2574 36.6577 25.8187 -33.4306 25.8186 22.2393 GPRESSAVG: 1707600 3.33921 28.6395 -35.1673 27.9972 37.5479 27.187 -35.1125 24.4113 22.8092 TIMING: 1707600 CPU: 5380.79, 0.00317005/step Wall: 5380.79, 0.00317005/step, 2.89918 hours remaining, 238.207031 MB of memory in use. ENERGY: 1707600 3992.6377 20514.1394 14404.3210 246.5947 -202892.5421 2631.5695 0.0000 0.0000 51952.3336 -109150.9460 298.5708 -161103.2796 -108778.3979 298.9715 -0.5758 23.8053 763264.5436 21.2903 21.2321 PRESSURE: 1707800 -48.0865 105.547 29.3538 105.548 -194.547 -184.711 29.354 -184.711 -194.315 GPRESSURE: 1707800 -25.1276 136.119 28.6687 134.856 -138.461 -122.827 71.2944 -225.637 -185.22 PRESSAVG: 1707800 47.9046 7.97037 6.35861 7.97032 -19.7259 -7.61135 6.35863 -7.61133 -8.33408 GPRESSAVG: 1707800 48.8593 7.50716 6.41209 9.1385 -19.5165 -6.87093 5.95186 -7.64085 -9.52512 TIMING: 1707800 CPU: 5381.42, 0.00319273/step Wall: 5381.42, 0.00319273/step, 2.91976 hours remaining, 238.207031 MB of memory in use. ENERGY: 1707800 4058.1449 20346.8341 14469.7155 219.3860 -202694.3083 2542.7647 0.0000 0.0000 52022.5268 -109034.9365 298.9742 -161057.4633 -108675.5296 299.5299 -145.6497 -116.2697 762436.5483 6.6149 6.6059 PRESSURE: 1708000 -347.093 45.1211 69.7317 45.1204 182.956 82.9437 69.7316 82.9439 -183.418 GPRESSURE: 1708000 -295.907 14.0996 85.2315 -15.3022 204.889 160.228 189.481 142.223 -166.127 PRESSAVG: 1708000 7.7376 9.37882 16.701 9.37883 -19.9733 -0.274525 16.701 -0.274489 -5.40959 GPRESSAVG: 1708000 7.44198 10.9865 17.2284 7.58883 -20.5707 -1.86857 17.5144 -1.16374 -4.27878 TIMING: 1708000 CPU: 5382.06, 0.00319884/step Wall: 5382.06, 0.00319883/step, 2.92516 hours remaining, 238.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1708000 4041.6480 20392.1872 14458.0406 239.1580 -203249.9938 2781.1562 0.0000 0.0000 52201.1950 -109136.6089 300.0010 -161337.8039 -108777.9156 299.4572 -115.8514 -85.7148 762594.2103 -5.8818 -5.8025 PRESSURE: 1708200 -53.6081 28.3676 -21.5148 28.3674 -168.629 -130.14 -21.5152 -130.14 261.627 GPRESSURE: 1708200 5.50478 -42.9061 -35.7827 76.0536 -175.769 -138.488 -103.493 -259.48 304.977 PRESSAVG: 1708200 27.3414 10.6642 16.0693 10.6642 34.7931 -3.20351 16.0694 -3.20351 8.13963 GPRESSAVG: 1708200 28.7266 8.11715 16.245 11.392 33.8959 -2.44387 16.0064 -1.81841 7.33707 TIMING: 1708200 CPU: 5382.71, 0.00320665/step Wall: 5382.71, 0.00320665/step, 2.93213 hours remaining, 238.207031 MB of memory in use. ENERGY: 1708200 3997.2286 20471.8528 14460.6215 252.3366 -203015.5353 2641.7146 0.0000 0.0000 52062.1543 -109129.6269 299.2019 -161191.7812 -108776.2122 299.8654 13.1301 44.9043 761813.1305 23.4247 23.3198 LDB: ============= START OF LOAD BALANCING ============== 5395.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5395.11 LDB: =============== DONE WITH MIGRATION ================ 5395.11 LDB: ============= START OF LOAD BALANCING ============== 5395.43 LDB: Largest compute 7034 load 0.035502 is 18.1% of average load 0.195923 LDB: Average compute 0.004379 is 2.2% of average load 0.195923 LDB: TIME 5395.43 LOAD: AVG 0.195923 MAX 0.215238 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.27 MB LDB: TIME 5395.43 LOAD: AVG 0.195923 MAX 0.215238 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.309 MB LDB: TIME 5395.43 LOAD: AVG 0.195923 MAX 0.215238 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.309 MB LDB: ============== END OF LOAD BALANCING =============== 5395.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5395.44 PRESSURE: 1708400 -75.8628 67.9362 102.222 67.9368 -30.8187 -74.7426 102.223 -74.7432 -34.4312 GPRESSURE: 1708400 -154.5 41.572 122.679 22.3161 35.8433 -91.1975 101.301 -166.307 54.024 PRESSAVG: 1708400 45.9276 -2.73774 12.0435 -2.73776 -25.056 -9.70472 12.0436 -9.70471 12.2531 GPRESSAVG: 1708400 44.0496 -1.17636 10.332 -2.02623 -23.7965 -10.5514 13.4291 -10.6556 12.8737 TIMING: 1708400 CPU: 5383.36, 0.00325797/step Wall: 5383.36, 0.00325797/step, 2.97887 hours remaining, 239.488281 MB of memory in use. ENERGY: 1708400 3886.4894 20482.5498 14425.0486 256.8867 -203076.4316 2759.9299 0.0000 0.0000 52091.2144 -109174.3129 299.3689 -161265.5273 -108823.6156 299.9573 -47.0376 -21.5443 763272.8530 11.0415 11.0423 PRESSURE: 1708600 -273.432 -79.4549 156.664 -79.4545 -269.791 73.2421 156.664 73.2428 30.7002 GPRESSURE: 1708600 -291.664 -24.215 86.7722 -91.9999 -281.368 110.193 49.592 -15.9272 150.039 PRESSAVG: 1708600 33.1454 0.584612 -28.3574 0.584673 -12.431 -15.7791 -28.3574 -15.779 -5.2222 GPRESSAVG: 1708600 33.6506 -0.50956 -26.54 -1.50855 -13.4923 -16.7976 -29.6317 -15.0807 -4.63728 TIMING: 1708600 CPU: 5383.99, 0.00318512/step Wall: 5383.99, 0.00318512/step, 2.91208 hours remaining, 239.949219 MB of memory in use. ENERGY: 1708600 3975.3712 20461.8351 14433.6842 251.2887 -202939.9568 2687.9516 0.0000 0.0000 51963.9746 -109165.8515 298.6377 -161129.8261 -108815.2468 299.6033 -170.8410 -140.9974 763836.1621 5.1641 5.1737 PRESSURE: 1708800 65.3466 -52.7795 -195.439 -52.78 113.543 -21.6815 -195.44 -21.6814 288.071 GPRESSURE: 1708800 195.139 -106.756 -181.843 -44.7074 98.9129 2.41495 -147.637 12.6842 256.869 PRESSAVG: 1708800 -26.5377 -32.2333 12.3387 -32.2334 48.8518 27.0954 12.3386 27.0954 -0.468362 GPRESSAVG: 1708800 -25.2446 -33.2856 13.1514 -30.0805 48.6476 28.8952 12.1297 27.5571 -2.0305 TIMING: 1708800 CPU: 5384.64, 0.00321463/step Wall: 5384.64, 0.00321463/step, 2.93889 hours remaining, 239.949219 MB of memory in use. ENERGY: 1708800 3931.8514 20479.1046 14381.3878 250.0401 -202832.5232 2817.3510 0.0000 0.0000 52029.1625 -108943.6258 299.0123 -160972.7883 -108585.4942 299.2090 155.6535 183.6406 765730.6192 7.2819 7.1242 PRESSURE: 1709000 178.502 -10.9446 28.6467 -10.944 64.205 57.2536 28.6467 57.2538 -263.31 GPRESSURE: 1709000 234.506 40.5716 -34.3439 24.9304 54.7617 135.767 9.93094 -20.6409 -230.419 PRESSAVG: 1709000 2.5565 -13.3624 -4.84553 -13.3624 43.8111 2.30732 -4.84553 2.30727 -18.6134 GPRESSAVG: 1709000 3.07138 -11.9696 -5.99496 -13.1552 43.1593 0.252763 -4.85187 1.45691 -18.3514 TIMING: 1709000 CPU: 5385.28, 0.00323465/step Wall: 5385.28, 0.00323465/step, 2.95701 hours remaining, 239.949219 MB of memory in use. ENERGY: 1709000 3836.2007 20452.1884 14459.2986 242.9212 -202991.6340 2719.9527 0.0000 0.0000 52357.6885 -108923.3839 300.9004 -161281.0724 -108560.0422 299.4700 -6.8675 19.6162 764159.9690 9.2514 9.2931 PRESSURE: 1709200 -94.8347 -84.9369 167.946 -84.9363 -413.545 109.3 167.946 109.3 -353.111 GPRESSURE: 1709200 -30.0235 -42.3383 132.427 -135.89 -356.683 61.8521 182.112 123.891 -381.996 PRESSAVG: 1709200 42.395 -4.85186 8.38738 -4.85187 -31.3892 14.4065 8.3873 14.4064 4.92231 GPRESSAVG: 1709200 42.0574 -4.6967 8.68936 -7.33755 -31.0226 15.9059 8.3703 14.3658 4.92597 TIMING: 1709200 CPU: 5385.92, 0.00319137/step Wall: 5385.92, 0.00319137/step, 2.91726 hours remaining, 239.949219 MB of memory in use. ENERGY: 1709200 3983.4035 20568.8452 14389.5512 248.2436 -202914.9658 2610.1496 0.0000 0.0000 52223.9700 -108890.8027 300.1319 -161114.7727 -108537.1110 299.4077 -287.1636 -256.2343 765364.4184 5.3094 5.3203 PRESSURE: 1709400 -268.535 -219.91 149.749 -219.91 -95.183 127.154 149.749 127.154 23.7644 GPRESSURE: 1709400 -90.213 -198.631 143.61 -81.1418 -72.4336 7.17941 211.226 145.452 -94.4733 PRESSAVG: 1709400 -21.8031 -40.9535 -16.0789 -40.9535 21.3302 11.8793 -16.0789 11.8792 -4.70121 GPRESSAVG: 1709400 -21.7739 -42.0971 -17.1237 -39.1373 22.9389 10.6594 -15.3899 12.1733 -6.27102 TIMING: 1709400 CPU: 5386.56, 0.00319448/step Wall: 5386.56, 0.00319448/step, 2.91994 hours remaining, 239.949219 MB of memory in use. ENERGY: 1709400 4013.5934 20442.7619 14452.8301 254.7189 -202642.7823 2479.3561 0.0000 0.0000 52082.9270 -108916.5950 299.3213 -160999.5219 -108549.5170 300.0066 -113.3177 -85.7066 763391.1147 -1.7247 -1.7020 PRESSURE: 1709600 461.803 94.1256 -516.056 94.1255 60.5937 -43.3612 -516.056 -43.3617 -176.591 GPRESSURE: 1709600 411.69 62.3809 -478.531 42.4562 103.01 -96.8594 -446.532 -4.61082 -74.1666 PRESSAVG: 1709600 73.2939 -36.9764 -20.8716 -36.9764 -49.9508 19.5608 -20.8717 19.5607 -13.5637 GPRESSAVG: 1709600 71.767 -36.9145 -19.8065 -36.414 -49.6807 20.9489 -21.4713 20.348 -12.4856 TIMING: 1709600 CPU: 5387.21, 0.00322493/step Wall: 5387.21, 0.00322493/step, 2.94758 hours remaining, 239.949219 MB of memory in use. ENERGY: 1709600 3978.5213 20532.3928 14368.7527 242.0124 -203234.7341 2868.1978 0.0000 0.0000 52208.1783 -109036.6786 300.0411 -161244.8569 -108668.4756 299.5419 115.2685 146.8445 763898.3611 3.2598 3.2003 PRESSURE: 1709800 -311.596 -130.562 -105.037 -130.562 -148.187 121.98 -105.037 121.979 -12.081 GPRESSURE: 1709800 -287.209 -58.3295 -128.801 -128.02 -127.405 72.4258 9.27492 252.141 49.9065 PRESSAVG: 1709800 15.6998 -40.741 -27.0408 -40.741 -29.501 34.4131 -27.0407 34.4131 6.36588 GPRESSAVG: 1709800 15.7853 -40.4843 -28.2992 -41.8519 -30.533 33.9241 -25.885 32.1172 6.70659 TIMING: 1709800 CPU: 5387.85, 0.00324596/step Wall: 5387.85, 0.00324597/step, 2.96663 hours remaining, 239.949219 MB of memory in use. ENERGY: 1709800 4005.0536 20483.4511 14416.5065 253.7800 -203184.8580 2629.9343 0.0000 0.0000 52334.1810 -109061.9515 300.7653 -161396.1325 -108696.3418 299.6230 -157.2880 -121.5691 761562.0456 -2.4784 -2.6803 PRESSURE: 1710000 44.2114 10.1124 31.5569 10.1124 -83.179 -40.1839 31.5566 -40.1828 238.353 GPRESSURE: 1710000 88.6202 -23.3635 25.4187 136.61 24.1632 1.87655 53.3454 4.97813 165.825 PRESSAVG: 1710000 5.18953 -23.9405 56.4884 -23.9405 25.2474 15.648 56.4884 15.648 -4.2863 GPRESSAVG: 1710000 5.47922 -24.0083 58.0811 -24.7003 24.3042 15.3182 54.8481 17.936 -3.67104 TIMING: 1710000 CPU: 5388.49, 0.00317366/step Wall: 5388.49, 0.00317366/step, 2.90037 hours remaining, 239.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1710000 3960.9588 20520.5783 14424.4534 254.9674 -203240.2490 2763.3240 0.0000 0.0000 52043.2856 -109272.6816 299.0935 -161315.9671 -108913.5388 299.3801 66.4617 92.8694 762981.8655 8.7169 8.7041 PRESSURE: 1710200 -221.242 1.27478 145.585 1.27449 -7.64225 15.571 145.586 15.5714 -68.7042 GPRESSURE: 1710200 -186.156 -14.4596 151.16 -3.7973 64.5679 63.3718 87.7104 10.7224 -104.333 PRESSAVG: 1710200 -88.0541 -16.457 -27.0595 -16.4569 72.7872 52.5851 -27.0595 52.5851 -0.0530945 GPRESSAVG: 1710200 -89.1056 -16.1487 -28.1842 -14.9917 72.9396 52.7691 -24.8271 51.7381 0.287811 TIMING: 1710200 CPU: 5389.13, 0.00318921/step Wall: 5389.13, 0.00318921/step, 2.9144 hours remaining, 239.949219 MB of memory in use. ENERGY: 1710200 3982.6009 20364.9520 14427.9674 241.6140 -203155.5490 2641.2932 0.0000 0.0000 51993.4275 -109503.6939 298.8069 -161497.1215 -109141.7815 299.0970 -99.1960 -75.3069 763413.9960 -5.1067 -5.2927 PRESSURE: 1710400 61.3312 45.0152 168.809 45.0147 -4.35319 -20.1083 168.81 -20.1077 -13.1869 GPRESSURE: 1710400 96.1292 17.8619 88.3543 -14.5742 67.0661 -85.6875 237.762 -0.813598 -27.1349 PRESSAVG: 1710400 -5.10722 -29.3157 -4.62438 -29.3158 28.9143 21.6524 -4.62436 21.6524 -7.02458 GPRESSAVG: 1710400 -4.20885 -30.7943 -4.23268 -31.5707 29.4081 19.5256 -6.52378 21.7882 -8.18235 TIMING: 1710400 CPU: 5389.78, 0.00324629/step Wall: 5389.78, 0.00324629/step, 2.96639 hours remaining, 239.949219 MB of memory in use. ENERGY: 1710400 3929.4635 20483.7917 14472.5742 233.3259 -203321.2075 2748.6352 0.0000 0.0000 52081.2913 -109372.1257 299.3119 -161453.4169 -109009.4751 298.6600 14.5971 45.3535 762385.9315 5.5942 5.6723 PRESSURE: 1710600 -150.088 -120.093 -213.557 -120.093 422.477 11.1186 -213.556 11.118 377.185 GPRESSURE: 1710600 14.2958 -165.258 -248.442 -48.0653 380.677 30.8928 -280.133 8.10577 316.359 PRESSAVG: 1710600 -38.8346 -19.6293 -25.8044 -19.6293 31.6545 -4.57351 -25.8045 -4.57356 -7.43009 GPRESSAVG: 1710600 -39.1029 -20.0344 -25.3362 -17.3679 31.9258 -2.59631 -25.9283 -4.08265 -7.90282 TIMING: 1710600 CPU: 5390.41, 0.00317901/step Wall: 5390.41, 0.00317901/step, 2.90473 hours remaining, 239.949219 MB of memory in use. ENERGY: 1710600 3986.4300 20396.0239 14456.6350 247.1165 -203334.9592 2885.3676 0.0000 0.0000 52106.2618 -109257.1243 299.4554 -161363.3861 -108900.2544 299.1640 216.5247 237.1104 762618.5392 -4.8701 -5.0266 PRESSURE: 1710800 -160.09 -140.636 89.8873 -140.636 -257.21 -108.274 89.888 -108.275 -185.658 GPRESSURE: 1710800 -91.6791 -201.012 143.879 -74.6499 -257.411 -37.3513 106.351 -90.4202 -170.498 PRESSAVG: 1710800 -23.2812 -56.7013 19.7839 -56.7013 21.7308 -3.68618 19.784 -3.6862 20.5285 GPRESSAVG: 1710800 -23.0879 -54.6474 18.9146 -59.2697 21.0968 -3.11665 21.5219 -5.03407 20.6084 TIMING: 1710800 CPU: 5391.05, 0.0031718/step Wall: 5391.05, 0.0031718/step, 2.89797 hours remaining, 239.949219 MB of memory in use. ENERGY: 1710800 3974.6387 20300.5193 14596.6704 245.2362 -203261.1520 2715.5489 0.0000 0.0000 52275.1120 -109153.4265 300.4258 -161428.5386 -108785.2794 299.5750 -200.9858 -173.1960 763256.7016 6.3260 6.2058 PRESSURE: 1711000 -441.151 96.5788 309.55 96.5792 -265.512 -108.732 309.55 -108.732 -143.458 GPRESSURE: 1711000 -375.579 -9.3537 301.622 30.639 -194.534 -97.7054 167.246 -146.27 -206.273 PRESSAVG: 1711000 -47.927 -13.883 33.265 -13.8831 -7.54959 42.8316 33.2651 42.8315 29.9995 GPRESSAVG: 1711000 -48.394 -14.4562 33.7115 -13.2213 -7.18706 41.3355 30.9787 44.3705 29.7751 TIMING: 1711000 CPU: 5391.68, 0.00319064/step Wall: 5391.68, 0.00319064/step, 2.91501 hours remaining, 239.949219 MB of memory in use. ENERGY: 1711000 3918.7918 20372.3151 14426.4008 239.2732 -202878.7746 2457.6197 0.0000 0.0000 52240.1085 -109224.2655 300.2246 -161464.3740 -108867.2367 299.7314 -283.3738 -258.7952 764922.7451 -8.4924 -8.6020 PRESSURE: 1711200 -108.143 17.0647 181.632 17.0642 54.8223 172.451 181.631 172.452 -28.3593 GPRESSURE: 1711200 -37.9457 -103.118 159.8 18.0823 80.8621 82.4658 166.818 211.662 -37.5941 PRESSAVG: 1711200 -28.7087 -47.0537 -4.89397 -47.0537 40.0519 32.3655 -4.89397 32.3655 7.39324 GPRESSAVG: 1711200 -27.8528 -47.6269 -5.76647 -47.0634 38.1997 33.0996 -2.42677 31.3175 8.6866 TIMING: 1711200 CPU: 5392.32, 0.003198/step Wall: 5392.32, 0.003198/step, 2.92155 hours remaining, 239.949219 MB of memory in use. ENERGY: 1711200 4027.2802 20366.8297 14395.8673 245.4636 -203025.7866 2571.3794 0.0000 0.0000 51968.1959 -109450.7706 298.6619 -161418.9665 -109089.3507 299.3275 -27.2267 1.7741 761242.7438 6.2455 6.3445 PRESSURE: 1711400 -224.672 -9.76281 -243.771 -9.76255 95.9366 -5.75854 -243.77 -5.75896 384.289 GPRESSURE: 1711400 -187.924 -146.437 -194.236 -48.2161 142.552 -36.7104 -186.312 16.1546 376.894 PRESSAVG: 1711400 -0.510976 -25.2517 -13.6311 -25.2517 25.7784 -54.2558 -13.6311 -54.2557 11.5367 GPRESSAVG: 1711400 -1.4417 -22.8724 -11.3254 -23.599 27.0572 -54.9591 -14.7283 -53.1839 11.2395 TIMING: 1711400 CPU: 5392.96, 0.00318915/step Wall: 5392.96, 0.00318915/step, 2.91329 hours remaining, 239.949219 MB of memory in use. ENERGY: 1711400 3929.5006 20415.0894 14413.9070 242.2629 -203259.5032 2556.4133 0.0000 0.0000 52141.6980 -109560.6319 299.6591 -161702.3300 -109193.5874 299.0265 85.1843 110.5074 762549.8439 12.2680 12.2850 PRESSURE: 1711600 150.938 -101.89 135.863 -101.89 212.252 145.218 135.862 145.219 -409.641 GPRESSURE: 1711600 206.293 -92.1238 126.719 -58.3879 254.264 89.9702 227.298 121.112 -429.289 PRESSAVG: 1711600 -43.7154 8.82367 11.7748 8.8237 57.7936 -19.1117 11.7748 -19.1117 4.06508 GPRESSAVG: 1711600 -44.1525 7.07718 10.9607 9.15658 58.2779 -19.2299 12.2674 -20.0664 3.49341 TIMING: 1711600 CPU: 5393.6, 0.00318203/step Wall: 5393.6, 0.00318204/step, 2.90661 hours remaining, 239.949219 MB of memory in use. ENERGY: 1711600 3946.2157 20515.2909 14499.1284 259.4195 -203584.6807 2767.8149 0.0000 0.0000 52111.4387 -109485.3726 299.4852 -161596.8113 -109134.4033 299.4334 -15.4836 10.4228 762156.0968 6.0478 5.8729 PRESSURE: 1711800 -298.029 119.71 -289.475 119.71 11.7288 87.4728 -289.476 87.473 88.7041 GPRESSURE: 1711800 -143.193 173.755 -325.813 -22.7165 -71.5836 160.432 -272.031 14.2593 109.812 PRESSAVG: 1711800 4.59123 -25.8205 -21.4058 -25.8205 44.9159 50.4602 -21.4058 50.4603 8.99869 GPRESSAVG: 1711800 6.49355 -26.4826 -22.1472 -26.4633 44.5881 51.1105 -22.4514 49.3611 7.79863 TIMING: 1711800 CPU: 5394.24, 0.00319439/step Wall: 5394.24, 0.00319439/step, 2.91772 hours remaining, 239.949219 MB of memory in use. ENERGY: 1711800 4123.2275 20473.8671 14380.1947 257.2730 -203473.7134 2705.1334 0.0000 0.0000 52063.4848 -109470.5330 299.2096 -161534.0177 -109112.9983 299.7064 -65.8654 -34.9882 760969.5397 19.5019 19.6268 PRESSURE: 1712000 -211.934 210.223 356.922 210.223 -192.666 152.49 356.922 152.49 69.3298 GPRESSURE: 1712000 -122.681 241.628 352.475 214.961 -178.975 139.047 293.646 187.203 54.973 PRESSAVG: 1712000 -28.8858 18.1454 -20.0595 18.1454 18.2481 35.6917 -20.0595 35.6916 -11.738 GPRESSAVG: 1712000 -30.459 18.3711 -18.7512 17.8983 17.2751 35.0404 -22.1832 37.3375 -9.79381 TIMING: 1712000 CPU: 5394.88, 0.00319032/step Wall: 5394.88, 0.00319032/step, 2.91382 hours remaining, 239.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1712000 4101.9890 20586.5004 14426.4018 239.2444 -203517.3894 2540.9897 0.0000 0.0000 51944.3428 -109677.9211 298.5249 -161622.2639 -109326.7318 298.7607 -111.7569 -82.2276 761682.4988 -7.4586 -7.6592 PRESSURE: 1712200 -191.012 126.378 -84.6357 126.378 -229.09 -50.5243 -84.6353 -50.5235 -48.1072 GPRESSURE: 1712200 -172.141 73.4613 -126.063 83.3543 -173.253 -94.0338 -97.6528 -59.6064 -7.9227 PRESSAVG: 1712200 -49.7986 38.4558 -10.8977 38.4558 -1.08229 -32.3961 -10.8977 -32.3961 -4.43005 GPRESSAVG: 1712200 -49.1923 39.6127 -12.0427 36.9611 -0.6982 -31.6507 -9.63451 -32.2528 -5.29952 TIMING: 1712200 CPU: 5395.51, 0.00318537/step Wall: 5395.51, 0.00318537/step, 2.90913 hours remaining, 239.949219 MB of memory in use. ENERGY: 1712200 4019.7746 20372.7422 14412.8464 245.7958 -203237.5938 2546.3601 0.0000 0.0000 52113.0142 -109527.0605 299.4942 -161640.0747 -109158.7040 299.2261 -156.0700 -117.7724 763144.7806 -18.4370 -18.3967 LDB: ============= START OF LOAD BALANCING ============== 5407.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5407.92 LDB: =============== DONE WITH MIGRATION ================ 5407.92 LDB: ============= START OF LOAD BALANCING ============== 5408.24 LDB: Largest compute 7034 load 0.035300 is 18.0% of average load 0.196063 LDB: Average compute 0.004361 is 2.2% of average load 0.196063 LDB: TIME 5408.24 LOAD: AVG 0.196063 MAX 0.217734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.184 MB LDB: TIME 5408.24 LOAD: AVG 0.196063 MAX 0.217734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.188 MB LDB: TIME 5408.24 LOAD: AVG 0.196063 MAX 0.217734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5408.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5408.25 PRESSURE: 1712400 252.049 -117.439 -31.5451 -117.438 -19.1356 60.3658 -31.5454 60.3661 370.268 GPRESSURE: 1712400 253.556 -44.639 -14.5796 -48.2808 113.957 17.3555 89.7632 152.076 325.715 PRESSAVG: 1712400 -33.1812 -59.3762 -11.321 -59.3762 69.9172 -26.1815 -11.321 -26.1815 -2.34251 GPRESSAVG: 1712400 -33.3966 -60.4238 -11.7433 -57.9348 70.3036 -25.6213 -10.4724 -27.2271 -1.8089 TIMING: 1712400 CPU: 5396.16, 0.00325189/step Wall: 5396.16, 0.00325189/step, 2.9697 hours remaining, 237.695312 MB of memory in use. ENERGY: 1712400 4023.3095 20304.9600 14361.2264 236.5564 -203642.4249 2911.8811 0.0000 0.0000 52165.3419 -109639.1496 299.7949 -161804.4916 -109279.9719 298.5093 201.0608 231.0761 761019.9035 11.4645 11.6994 PRESSURE: 1712600 -128.764 -1.88279 107.336 -1.88202 -39.5265 41.494 107.336 41.4946 514.102 GPRESSURE: 1712600 -148.78 126.407 99.9102 -82.0925 5.86462 189.524 209.06 35.9391 560.9 PRESSAVG: 1712600 -22.343 -16.8782 -4.50063 -16.8782 34.7418 30.8037 -4.50058 30.8036 -24.5772 GPRESSAVG: 1712600 -22.5367 -15.7331 -3.81985 -17.8912 35.0534 30.8875 -5.60559 30.6778 -24.9639 TIMING: 1712600 CPU: 5396.8, 0.00318717/step Wall: 5396.8, 0.00318716/step, 2.91041 hours remaining, 237.898438 MB of memory in use. ENERGY: 1712600 3987.5036 20320.3310 14417.7971 243.1363 -203151.4040 2610.0039 0.0000 0.0000 51909.6056 -109663.0264 298.3252 -161572.6320 -109308.7907 298.7376 115.2708 139.3284 763804.8106 -4.0594 -4.1491 PRESSURE: 1712800 -229.141 -159.909 73.367 -159.908 -19.4548 20.0947 73.3667 20.0947 -42.0349 GPRESSURE: 1712800 -187.2 -205.413 79.5266 -112.299 50.4337 74.413 51.8418 7.12019 -65.3211 PRESSAVG: 1712800 21.4204 13.8307 -39.2716 13.8308 6.76741 21.7118 -39.2716 21.7118 -0.93304 GPRESSAVG: 1712800 22.4038 12.8606 -40.2076 16.0087 6.95867 22.8249 -39.6256 20.9563 -1.66713 TIMING: 1712800 CPU: 5397.43, 0.00316553/step Wall: 5397.43, 0.00316553/step, 2.89048 hours remaining, 237.898438 MB of memory in use. ENERGY: 1712800 3965.0803 20366.4346 14448.3829 255.1016 -203113.7931 2481.6448 0.0000 0.0000 52010.1292 -109587.0198 298.9029 -161597.1490 -109218.8589 298.8497 -96.8770 -67.3626 761960.4361 9.0849 9.2318 PRESSURE: 1713000 -101.481 -105.786 208.144 -105.786 262.563 185.708 208.145 185.708 -114.626 GPRESSURE: 1713000 -109.335 -79.3873 134.29 -74.3524 262.837 154.748 244.523 246.235 -42.1298 PRESSAVG: 1713000 49.7543 45.4829 -31.6472 45.4828 -40.7102 4.5786 -31.6472 4.57873 4.90162 GPRESSAVG: 1713000 48.2191 46.9784 -32.1993 43.7988 -41.089 2.29636 -29.5627 6.11711 6.45364 TIMING: 1713000 CPU: 5398.07, 0.0031791/step Wall: 5398.07, 0.0031791/step, 2.9027 hours remaining, 237.898438 MB of memory in use. ENERGY: 1713000 3931.4981 20337.6069 14404.3955 246.4567 -203231.1558 2559.5788 0.0000 0.0000 52207.5316 -109544.0882 300.0374 -161751.6198 -109185.7770 299.2753 15.4851 37.1238 761152.1062 4.6486 4.5279 PRESSURE: 1713200 -77.1471 -261.588 4.35031 -261.588 19.0503 123.064 4.35016 123.064 235.275 GPRESSURE: 1713200 -71.905 -253.648 -22.7537 -256.322 85.3053 84.1589 89.5117 184.66 240.094 PRESSAVG: 1713200 -51.214 -33.3153 66.2724 -33.3153 19.5643 -53.7542 66.2724 -53.7541 -12.3408 GPRESSAVG: 1713200 -49.878 -34.5353 67.1991 -32.757 19.4289 -55.0992 66.8414 -52.402 -13.1678 TIMING: 1713200 CPU: 5398.71, 0.00319087/step Wall: 5398.71, 0.00319087/step, 2.91326 hours remaining, 237.898438 MB of memory in use. ENERGY: 1713200 3988.6710 20539.2974 14346.4409 260.2129 -203385.9293 2678.7094 0.0000 0.0000 52050.3525 -109522.2453 299.1341 -161572.5978 -109172.8231 299.0641 59.0594 84.4982 761018.7382 -14.6635 -14.5390 PRESSURE: 1713400 -179.061 -96.389 255.465 -96.3883 -425.719 -65.9481 255.464 -65.9484 -58.8664 GPRESSURE: 1713400 -151.45 -1.56294 219.919 41.4846 -363.653 -112.548 132.406 -187.872 -89.7743 PRESSAVG: 1713400 -54.4937 -35.9881 90.0787 -35.9881 10.5137 -68.3467 90.0787 -68.3467 -9.72074 GPRESSAVG: 1713400 -53.2445 -34.3914 89.8093 -36.087 9.14764 -66.9574 90.3543 -69.9524 -9.91032 TIMING: 1713400 CPU: 5399.35, 0.00319889/step Wall: 5399.35, 0.00319889/step, 2.92041 hours remaining, 237.898438 MB of memory in use. ENERGY: 1713400 4031.2415 20357.7500 14390.4864 267.5178 -203407.5918 2709.5354 0.0000 0.0000 52145.5447 -109505.5160 299.6812 -161651.0607 -109142.7824 299.1662 -221.2154 -201.6257 761124.7878 -17.9002 -18.0024 PRESSURE: 1713600 60.6168 -55.4587 62.1037 -55.4578 213.847 217.32 62.1041 217.32 -158.519 GPRESSURE: 1713600 106.924 -110.272 13.0283 -122.148 273.407 190.926 80.675 286.775 -184.059 PRESSAVG: 1713600 -25.635 -28.7745 81.3244 -28.7745 -27.6028 13.9446 81.3245 13.9445 -12.4096 GPRESSAVG: 1713600 -27.3432 -30.3107 81.1855 -29.3038 -25.9411 14.7974 80.1855 14.0762 -11.692 TIMING: 1713600 CPU: 5399.99, 0.00320765/step Wall: 5399.99, 0.00320765/step, 2.92823 hours remaining, 237.898438 MB of memory in use. ENERGY: 1713600 3958.1682 20517.0984 14387.7525 241.7023 -203427.7560 2741.6566 0.0000 0.0000 52151.4754 -109429.9026 299.7152 -161581.3780 -109067.4519 299.1212 38.6482 65.4240 761870.2314 -21.8825 -21.6587 PRESSURE: 1713800 73.5938 -43.2433 -228.01 -43.2432 -275.686 82.5037 -228.009 82.5043 -202.597 GPRESSURE: 1713800 72.5797 -254.786 -163.679 35.7465 -194.093 123.543 -208.014 -48.5968 -187.818 PRESSAVG: 1713800 20.721 -81.7104 -18.5331 -81.7104 -19.4373 25.5127 -18.533 25.5127 28.139 GPRESSAVG: 1713800 20.6331 -82.5533 -18.253 -81.5626 -19.0291 25.4381 -18.2294 26.2882 27.2566 TIMING: 1713800 CPU: 5400.63, 0.00319944/step Wall: 5400.63, 0.00319944/step, 2.92056 hours remaining, 237.898438 MB of memory in use. ENERGY: 1713800 3938.4249 20513.1220 14505.0648 237.3335 -203352.9210 2572.4858 0.0000 0.0000 52356.7163 -109229.7737 300.8948 -161586.4900 -108870.1797 300.0798 -134.8965 -103.1106 760755.9717 9.8076 9.6202 PRESSURE: 1714000 -217.158 -109.099 -181.909 -109.099 -266.538 -126.866 -181.909 -126.867 -79.2994 GPRESSURE: 1714000 -91.2891 -118.521 -192.336 -114.106 -238.178 -36.3967 -237.464 -266.439 -129.315 PRESSAVG: 1714000 35.234 -0.967464 5.17389 -0.96743 -17.9993 -36.3481 5.17397 -36.3482 -9.38808 GPRESSAVG: 1714000 36.0491 0.215843 3.88838 -2.73277 -17.9696 -37.7626 4.88439 -38.1906 -10.1141 TIMING: 1714000 CPU: 5401.27, 0.00321483/step Wall: 5401.27, 0.00321483/step, 2.93442 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1714000 3967.8096 20435.3267 14395.7650 244.9302 -203279.2777 2610.1394 0.0000 0.0000 52421.3904 -109203.9165 301.2665 -161625.3069 -108838.2643 299.9154 -187.6652 -152.9276 761552.9702 2.6155 2.6551 PRESSURE: 1714200 -180.599 -27.5479 -99.2436 -27.548 -266.542 104.239 -99.2439 104.238 111.964 GPRESSURE: 1714200 -170.347 -120.698 -54.0471 -74.2139 -179.032 142.502 -102.177 140.971 116.282 PRESSAVG: 1714200 7.98062 -29.2777 18.4495 -29.2777 10.3042 35.1831 18.4495 35.183 -35.6595 GPRESSAVG: 1714200 6.69468 -29.7457 20.5503 -28.4532 8.51515 35.1116 18.0424 37.2842 -32.9513 TIMING: 1714200 CPU: 5401.91, 0.00317706/step Wall: 5401.91, 0.00317706/step, 2.89977 hours remaining, 237.898438 MB of memory in use. ENERGY: 1714200 4042.5313 20467.2089 14376.6966 251.4169 -203259.7632 2483.6754 0.0000 0.0000 52276.4541 -109361.7799 300.4335 -161638.2340 -108995.8507 300.0325 -111.7260 -77.6988 761056.3875 -5.7916 -5.9138 PRESSURE: 1714400 25.1787 -188.519 -53.3208 -188.518 25.3308 93.698 -53.3204 93.6979 97.4726 GPRESSURE: 1714400 93.8671 -240.474 -44.2034 -136.524 93.2858 23.2989 121.915 229.583 58.2479 PRESSAVG: 1714400 -66.1997 8.12772 -22.2701 8.12766 38.4202 13.317 -22.2701 13.3171 -7.04792 GPRESSAVG: 1714400 -65.2657 8.43962 -22.2122 7.53968 39.0203 14.4325 -23.6996 12.1023 -8.42589 TIMING: 1714400 CPU: 5402.55, 0.00318922/step Wall: 5402.55, 0.00318922/step, 2.91069 hours remaining, 237.898438 MB of memory in use. ENERGY: 1714400 4078.5152 20391.9578 14345.6592 258.4049 -203319.5438 2668.4192 0.0000 0.0000 52271.3327 -109305.2546 300.4041 -161576.5873 -108940.1645 299.4129 49.3274 81.8003 762307.4240 -11.6091 -11.5571 PRESSURE: 1714600 -91.6404 -1.80057 -187.182 -1.80142 268.937 -230.065 -187.183 -230.066 -161.997 GPRESSURE: 1714600 -74.5972 56.1921 -211.312 -60.5231 340.717 -136.676 -143.08 -295.55 -151.217 PRESSAVG: 1714600 -81.9004 -16.9501 -6.29798 -16.9501 98.9481 25.5227 -6.29802 25.5227 3.47407 GPRESSAVG: 1714600 -82.747 -15.802 -7.18923 -17.7345 100.027 25.9079 -4.05965 22.6887 3.18368 TIMING: 1714600 CPU: 5403.18, 0.00318264/step Wall: 5403.18, 0.00318264/step, 2.90452 hours remaining, 237.898438 MB of memory in use. ENERGY: 1714600 3965.5347 20686.3485 14378.1776 243.0385 -203419.8435 2779.4220 0.0000 0.0000 52101.7299 -109265.5922 299.4294 -161367.3221 -108907.2948 299.3533 5.0998 38.3010 761172.4293 6.8406 6.8213 PRESSURE: 1714800 -334.223 -259.886 104.959 -259.887 -241.011 -171.216 104.959 -171.217 -187.134 GPRESSURE: 1714800 -224.685 -289.623 -1.48526 -111.984 -229.781 -126.609 72.6048 -97.6751 -220.45 PRESSAVG: 1714800 -83.2436 -25.0633 -37.1963 -25.0634 38.662 30.4557 -37.1962 30.4557 -1.97315 GPRESSAVG: 1714800 -81.596 -25.6419 -37.5287 -26.0433 37.1696 29.028 -37.5448 32.8471 -1.52328 TIMING: 1714800 CPU: 5403.82, 0.00318312/step Wall: 5403.82, 0.00318312/step, 2.90478 hours remaining, 237.898438 MB of memory in use. ENERGY: 1714800 3956.1080 20491.6971 14331.7518 251.6421 -203048.5476 2508.2021 0.0000 0.0000 52178.2540 -109330.8925 299.8691 -161509.1464 -108969.4976 299.2609 -254.1224 -224.9719 764099.2954 -15.5182 -15.3166 PRESSURE: 1715000 -313.291 154.162 5.37883 154.161 16.6453 14.1416 5.37857 14.1421 26.7385 GPRESSURE: 1715000 -366.245 206.28 24.2812 95.2447 51.1717 -68.4108 2.62311 6.76565 120.127 PRESSAVG: 1715000 -54.2483 -23.5982 52.8036 -23.5982 18.1712 27.4272 52.8036 27.4272 11.6683 GPRESSAVG: 1715000 -54.333 -23.7247 54.5392 -20.0601 18.3997 27.3563 50.7821 27.9885 11.7961 TIMING: 1715000 CPU: 5404.45, 0.00317133/step Wall: 5404.45, 0.00317133/step, 2.89384 hours remaining, 237.898438 MB of memory in use. ENERGY: 1715000 3966.3364 20475.0519 14445.2259 248.7296 -203200.6533 2614.6417 0.0000 0.0000 52144.1934 -109306.4745 299.6734 -161450.6679 -108942.6013 299.8211 -89.9690 -64.9821 764012.4822 -8.1363 -8.0457 PRESSURE: 1715200 67.8113 -71.9496 -106.649 -71.9494 235.004 77.4107 -106.648 77.4101 248.717 GPRESSURE: 1715200 81.8425 12.0643 -164.704 -14.9763 221.535 56.4773 -121.141 -9.43153 318.058 PRESSAVG: 1715200 8.41261 9.1594 23.5604 9.15948 52.3549 56.9341 23.5605 56.934 6.23124 GPRESSAVG: 1715200 9.48251 10.0047 21.721 8.82454 52.6976 58.093 28.1953 57.2556 4.65201 TIMING: 1715200 CPU: 5405.08, 0.00315897/step Wall: 5405.08, 0.00315897/step, 2.88238 hours remaining, 237.898438 MB of memory in use. ENERGY: 1715200 4041.0691 20660.7735 14416.4370 227.3312 -203350.0535 2648.1254 0.0000 0.0000 52066.1259 -109290.1914 299.2247 -161356.3173 -108932.0830 299.3444 183.8441 207.1449 760914.5087 22.3329 22.2774 PRESSURE: 1715400 0.0464397 -12.924 89.5486 -12.9244 -65.5933 -238.947 89.5488 -238.948 251.037 GPRESSURE: 1715400 108.63 23.6517 109.883 -43.5495 -47.6004 -239.632 97.0233 -134.827 221.168 PRESSAVG: 1715400 -15.4396 -8.75726 -44.8726 -8.75733 56.3659 4.18105 -44.8727 4.1811 5.69249 GPRESSAVG: 1715400 -16.2216 -9.9697 -43.4349 -10.3956 56.8957 3.02112 -49.8939 3.05152 6.33964 TIMING: 1715400 CPU: 5405.72, 0.00317584/step Wall: 5405.72, 0.00317584/step, 2.8976 hours remaining, 237.898438 MB of memory in use. ENERGY: 1715400 3941.3583 20748.3492 14319.9746 262.2458 -203123.4135 2441.1713 0.0000 0.0000 52185.9996 -109224.3148 299.9137 -161410.3144 -108852.1654 299.7366 61.8300 94.0657 762131.9897 15.5396 15.6713 PRESSURE: 1715600 40.0049 -126.989 100.516 -126.989 178.095 53.6081 100.516 53.6072 107.327 GPRESSURE: 1715600 27.3249 -10.6151 136.518 -153.135 276.254 121.969 140.603 -94.7685 99.6251 PRESSAVG: 1715600 -9.1606 -64.708 1.64474 -64.708 5.47205 31.2061 1.64472 31.2061 2.75591 GPRESSAVG: 1715600 -8.77413 -66.5319 -0.978076 -63.342 5.76913 31.1648 5.2493 32.075 2.17237 TIMING: 1715600 CPU: 5406.35, 0.00317294/step Wall: 5406.35, 0.00317294/step, 2.89478 hours remaining, 237.898438 MB of memory in use. ENERGY: 1715600 4026.2661 20567.9942 14412.9343 237.9655 -203400.9311 2701.0668 0.0000 0.0000 52296.5358 -109158.1684 300.5489 -161454.7042 -108796.5064 299.9305 108.4758 134.4014 760855.3634 -0.3109 -0.2775 PRESSURE: 1715800 -10.8838 -226.783 -311.221 -226.784 267.043 163.666 -311.221 163.667 126.678 GPRESSURE: 1715800 28.9446 -242.629 -256.381 -207.37 140.279 181.713 -233.266 130.067 318.358 PRESSAVG: 1715800 -57.451 -27.8803 5.14618 -27.8803 50.7969 0.636998 5.14616 0.637033 -11.156 GPRESSAVG: 1715800 -57.1336 -23.8885 8.13218 -30.2395 49.508 0.804926 4.76443 -0.813527 -9.84082 TIMING: 1715800 CPU: 5406.98, 0.00315181/step Wall: 5406.98, 0.00315181/step, 2.87532 hours remaining, 237.898438 MB of memory in use. ENERGY: 1715800 3890.6731 20598.2604 14429.0718 268.7316 -203300.2813 2933.2238 0.0000 0.0000 52038.8371 -109141.4834 299.0679 -161180.3206 -108776.3162 300.1870 127.6123 162.5273 761849.9900 -5.9367 -5.8221 PRESSURE: 1716000 -150.257 -236.652 -19.3359 -236.653 -208.834 -180.065 -19.3349 -180.064 716.42 GPRESSURE: 1716000 -103.809 -210.096 6.7906 -81.3415 -49.0168 -77.213 40.0743 -243.157 594.993 PRESSAVG: 1716000 -18.9741 21.3501 -7.59811 21.3501 13.8416 -16.3296 -7.59805 -16.3295 15.9262 GPRESSAVG: 1716000 -18.8077 20.2293 -10.0537 22.0177 13.8827 -16.6364 -8.14265 -15.8628 15.511 TIMING: 1716000 CPU: 5407.62, 0.00317199/step Wall: 5407.62, 0.00317199/step, 2.89356 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1716000 4005.2803 20483.7603 14365.0357 252.7991 -203272.8096 2622.7274 0.0000 0.0000 52278.1504 -109265.0564 300.4432 -161543.2068 -108902.0204 300.1958 119.1099 147.3888 761932.4908 3.5979 3.5286 PRESSURE: 1716200 65.3097 -95.9949 157.914 -95.994 -7.57105 69.6719 157.914 69.6732 -213.166 GPRESSURE: 1716200 110.044 4.38923 202.405 -154.493 -30.8128 126.34 172.834 3.53983 -144.895 PRESSAVG: 1716200 42.6447 -36.1871 9.16558 -36.1871 -24.1134 12.1701 9.16556 12.1702 -14.9344 GPRESSAVG: 1716200 42.5606 -35.3501 11.6932 -35.6934 -22.3917 9.84203 8.91411 12.4015 -16.0163 TIMING: 1716200 CPU: 5408.25, 0.00317314/step Wall: 5408.25, 0.00317314/step, 2.89443 hours remaining, 237.898438 MB of memory in use. ENERGY: 1716200 4007.3032 20583.9558 14407.5823 253.6471 -203277.9977 2794.7234 0.0000 0.0000 51951.0187 -109279.7672 298.5632 -161230.7859 -108923.8023 299.9550 -51.8090 -21.8881 762607.8662 1.1990 1.3842 LDB: ============= START OF LOAD BALANCING ============== 5420.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5420.65 LDB: =============== DONE WITH MIGRATION ================ 5420.65 LDB: ============= START OF LOAD BALANCING ============== 5420.97 LDB: Largest compute 7034 load 0.035348 is 18.0% of average load 0.195973 LDB: Average compute 0.004384 is 2.2% of average load 0.195973 LDB: TIME 5420.97 LOAD: AVG 0.195973 MAX 0.213452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.184 MB LDB: TIME 5420.97 LOAD: AVG 0.195973 MAX 0.213452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.184 MB LDB: TIME 5420.97 LOAD: AVG 0.195973 MAX 0.213452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.184 MB LDB: ============== END OF LOAD BALANCING =============== 5420.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 5420.98 Info: useSync: 0 useProxySync: 0 PRESSURE: 1716400 41.999 85.7179 54.6364 85.7173 250.963 -19.9388 54.6353 -19.9382 -136.529 GPRESSURE: 1716400 83.4787 73.5828 53.4823 58.6712 251.011 -93.9009 -126.984 -20.6888 -87.4752 PRESSAVG: 1716400 23.4592 -7.14562 10.5698 -7.14564 23.4606 64.9712 10.5697 64.9713 24.153 GPRESSAVG: 1716400 23.606 -7.6415 9.26999 -6.48528 21.978 67.1369 9.92749 64.167 25.3236 TIMING: 1716400 CPU: 5408.9, 0.00321599/step Wall: 5408.9, 0.00321599/step, 2.93334 hours remaining, 238.464844 MB of memory in use. ENERGY: 1716400 4042.3185 20447.4387 14301.3704 242.1695 -203308.3653 2577.9323 0.0000 0.0000 52311.0237 -109386.1123 300.6322 -161697.1359 -109007.7742 299.8097 52.1446 82.3381 760555.3104 23.6909 23.6359 PRESSURE: 1716600 -290.097 81.5712 230.74 81.5724 33.9804 -272.594 230.74 -272.594 -93.9199 GPRESSURE: 1716600 -284.86 28.6686 203.819 73.176 100.576 -304.578 218.403 -285.173 -64.3668 PRESSAVG: 1716600 -56.4106 -57.1112 13.8599 -57.1112 -3.7047 -20.2809 13.8599 -20.2809 4.25212 GPRESSAVG: 1716600 -57.1747 -56.6798 13.0775 -58.2115 -1.9882 -21.0766 14.2007 -20.5523 3.08016 TIMING: 1716600 CPU: 5409.53, 0.00316776/step Wall: 5409.53, 0.00316776/step, 2.88917 hours remaining, 238.464844 MB of memory in use. ENERGY: 1716600 3983.8837 20689.4942 14280.5406 225.6154 -202773.8779 2197.0884 0.0000 0.0000 52046.1475 -109351.1080 299.1099 -161397.2556 -108987.1426 299.3326 -116.6787 -82.8835 761947.7752 -18.6210 -18.6942 PRESSURE: 1716800 -134.996 227.641 242.786 227.641 -653.25 151.363 242.786 151.364 29.7472 GPRESSURE: 1716800 -123.371 -4.6356 209.208 129.472 -525.263 207.726 310.979 82.9202 -30.245 PRESSAVG: 1716800 -9.77736 -6.12469 20.6293 -6.1247 28.6907 -75.8351 20.6294 -75.8351 6.38208 GPRESSAVG: 1716800 -8.94216 -7.30921 22.409 -6.38703 26.8128 -74.4672 22.4051 -74.3391 8.05759 TIMING: 1716800 CPU: 5410.16, 0.00315323/step Wall: 5410.16, 0.00315323/step, 2.87574 hours remaining, 238.464844 MB of memory in use. ENERGY: 1716800 4038.2402 20617.8946 14371.8578 243.2904 -202957.9302 2189.3040 0.0000 0.0000 51979.0116 -109518.3316 298.7241 -161497.3432 -109160.3640 299.2907 -252.8331 -226.2930 762219.0588 8.4318 8.6428 PRESSURE: 1717000 -190.62 261.642 -15.4096 261.643 -117.059 57.2855 -15.4107 57.2853 -54.7977 GPRESSURE: 1717000 -192.585 146.62 102.135 264.403 -81.8847 19.2782 -64.4814 123.8 -31.0146 PRESSAVG: 1717000 39.3413 -18.8072 18.2952 -18.8073 -47.4649 -29.6044 18.2952 -29.6043 -19.6801 GPRESSAVG: 1717000 39.9113 -17.095 16.4899 -19.7557 -47.384 -31.6303 18.1954 -30.648 -20.6749 TIMING: 1717000 CPU: 5410.8, 0.00317125/step Wall: 5410.8, 0.00317125/step, 2.892 hours remaining, 238.464844 MB of memory in use. ENERGY: 1717000 4021.5487 20559.3322 14386.7844 255.9476 -203476.1975 2667.9289 0.0000 0.0000 52113.4831 -109471.1727 299.4969 -161584.6558 -109110.5335 298.8198 -120.8257 -101.8282 761700.9865 -9.2679 -9.3825 PRESSURE: 1717200 -353.325 80.8673 156.179 80.8677 3.56127 336.722 156.181 336.719 -13.0008 GPRESSURE: 1717200 -229.088 93.1428 254.991 240.284 35.5104 340.308 69.6771 251.23 -76.8804 PRESSAVG: 1717200 -22.7012 7.73283 7.13773 7.73275 54.7674 -21.088 7.13768 -21.088 8.32348 GPRESSAVG: 1717200 -23.9735 5.72799 9.88991 10.2221 56.5545 -18.6454 4.87678 -22.4042 8.92998 TIMING: 1717200 CPU: 5411.43, 0.00318706/step Wall: 5411.43, 0.00318706/step, 2.90624 hours remaining, 238.464844 MB of memory in use. ENERGY: 1717200 3995.6763 20423.0097 14376.2630 234.4142 -202757.3145 2343.3539 0.0000 0.0000 51811.0685 -109573.5290 297.7589 -161384.5975 -109216.8104 298.8432 -120.9214 -90.1526 761660.3974 13.4632 13.8370 PRESSURE: 1717400 89.8469 159.708 123.592 159.707 188.425 -244.751 123.593 -244.751 -1.84656 GPRESSURE: 1717400 116.9 167.649 108.123 -29.946 171.989 -223.663 293.183 -128.849 64.7636 PRESSAVG: 1717400 12.3037 2.4303 77.4143 2.43034 -16.0314 -1.31089 77.4143 -1.31093 -25.4494 GPRESSAVG: 1717400 13.3217 2.59019 75.3822 0.545134 -17.6153 -2.02655 77.838 -0.647455 -25.172 TIMING: 1717400 CPU: 5412.07, 0.00318887/step Wall: 5412.07, 0.00318887/step, 2.90772 hours remaining, 238.464844 MB of memory in use. ENERGY: 1717400 3947.1332 20481.4278 14428.5628 253.1517 -203066.3285 2585.1898 0.0000 0.0000 51749.9563 -109620.9068 297.4077 -161370.8631 -109262.7315 298.3886 92.1417 117.8844 762186.4876 -9.7257 -9.8219 PRESSURE: 1717600 250.491 -20.5935 143.947 -20.5926 -188.793 44.7563 143.947 44.7571 369.835 GPRESSURE: 1717600 215.364 -51.5752 150.814 -15.4246 -9.76786 43.8421 111.421 113.735 314.484 PRESSAVG: 1717600 -25.1311 19.7127 3.24901 19.7127 20.3949 -18.2784 3.249 -18.2783 29.393 GPRESSAVG: 1717600 -24.8916 20.791 3.88628 18.1908 21.2597 -18.633 4.10208 -16.4049 28.6048 TIMING: 1717600 CPU: 5412.71, 0.00318288/step Wall: 5412.71, 0.00318288/step, 2.90208 hours remaining, 238.464844 MB of memory in use. ENERGY: 1717600 3906.5129 20362.1934 14383.7321 259.4407 -203778.4961 3073.2906 0.0000 0.0000 52209.7022 -109583.6243 300.0499 -161793.3265 -109226.1913 298.5950 143.8441 173.3602 761140.7638 8.2189 8.3243 PRESSURE: 1717800 360.522 283.699 333.568 283.699 132.528 -242.768 333.568 -242.768 -98.3355 GPRESSURE: 1717800 377.173 74.8954 327.713 233.658 148.68 -161.258 254.768 -211.564 -30.1719 PRESSAVG: 1717800 24.7392 -34.5693 18.0381 -34.5693 10.3354 -28.462 18.0381 -28.462 -6.38202 GPRESSAVG: 1717800 23.6455 -35.8884 18.1611 -32.2505 12.1449 -28.3223 15.6654 -28.7907 -6.72191 TIMING: 1717800 CPU: 5413.35, 0.00321296/step Wall: 5413.35, 0.00321296/step, 2.92933 hours remaining, 238.464844 MB of memory in use. ENERGY: 1717800 4001.5674 20484.6426 14346.6007 248.7196 -203339.2755 2625.6503 0.0000 0.0000 51932.4422 -109699.6527 298.4565 -161632.0949 -109338.1078 298.5526 131.5714 165.2269 760472.5019 9.5642 9.6895 PRESSURE: 1718000 84.3901 14.0564 21.3262 14.0564 143.499 9.18854 21.3265 9.18881 14.487 GPRESSURE: 1718000 112.084 -108.46 63.9236 53.808 133.949 -111.976 22.3707 103.24 72.592 PRESSAVG: 1718000 2.43521 -45.4749 86.7633 -45.4749 -11.4215 -49.6775 86.7633 -49.6775 -13.522 GPRESSAVG: 1718000 3.1185 -45.5675 86.276 -47.3097 -13.988 -49.9617 88.6338 -49.9758 -11.3431 TIMING: 1718000 CPU: 5413.99, 0.00319286/step Wall: 5413.99, 0.00319286/step, 2.91082 hours remaining, 238.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1718000 3974.5057 20252.5667 14510.0451 273.2744 -203215.3357 2516.9899 0.0000 0.0000 52192.5067 -109495.4471 299.9511 -161687.9538 -109125.0395 298.8834 80.7922 106.2083 761828.5781 -7.5028 -7.4042 PRESSURE: 1718200 -111.377 -7.87711 -199.647 -7.87693 -294.612 168.896 -199.647 168.896 -393.7 GPRESSURE: 1718200 -20.8987 51.5808 -164.2 -85.2127 -284.938 161.452 -76.1674 178.181 -415.421 PRESSAVG: 1718200 4.79998 15.8937 67.2957 15.8937 1.52863 14.7822 67.2957 14.7823 7.93057 GPRESSAVG: 1718200 5.42473 16.6119 66.4123 16.97 1.76644 14.2372 69.7905 14.1021 7.4983 TIMING: 1718200 CPU: 5414.63, 0.00322146/step Wall: 5414.63, 0.00322146/step, 2.93672 hours remaining, 238.464844 MB of memory in use. ENERGY: 1718200 4071.2951 20608.9735 14335.9921 261.0684 -203338.7104 2576.3552 0.0000 0.0000 51990.7329 -109494.2932 298.7915 -161485.0262 -109143.4757 299.2019 -266.5632 -240.4191 761592.2187 4.7531 4.8965 PRESSURE: 1718400 60.9523 31.4766 -74.1592 31.4771 -171.783 107.416 -74.1595 107.416 -17.2884 GPRESSURE: 1718400 88.1851 25.5356 -15.6362 19.8494 -77.5331 142.309 16.6606 141.646 -47.6842 PRESSAVG: 1718400 18.7138 -47.0985 41.0342 -47.0986 -38.4156 4.80131 41.0342 4.80136 -21.4626 GPRESSAVG: 1718400 18.3138 -46.2782 41.661 -46.8193 -36.9843 3.65087 38.9614 6.59419 -22.0876 TIMING: 1718400 CPU: 5415.28, 0.00322967/step Wall: 5415.28, 0.00322967/step, 2.94403 hours remaining, 238.464844 MB of memory in use. ENERGY: 1718400 3993.5941 20327.4915 14355.6198 237.6607 -203291.4201 2678.8246 0.0000 0.0000 52232.2321 -109465.9973 300.1794 -161698.2295 -109097.3034 299.2126 -42.7063 -12.3441 762887.8108 -13.7215 -13.5860 PRESSURE: 1718600 -97.4465 -40.9977 85.7971 -40.9973 46.3821 -203.442 85.7968 -203.442 -2.13013 GPRESSURE: 1718600 -138.609 106.871 79.9408 31.349 141.7 -278.591 85.2274 -197.076 34.694 PRESSAVG: 1718600 3.37866 -0.679023 3.6062 -0.679024 52.7634 -24.1663 3.60617 -24.1664 28.419 GPRESSAVG: 1718600 3.45342 0.937037 2.86247 -1.84695 52.2189 -23.2698 3.29979 -25.1702 28.9968 TIMING: 1718600 CPU: 5415.93, 0.00323497/step Wall: 5415.93, 0.00323497/step, 2.94867 hours remaining, 238.464844 MB of memory in use. ENERGY: 1718600 4058.0066 20477.3668 14402.8169 240.2400 -203456.4146 2633.6476 0.0000 0.0000 52125.3039 -109519.0328 299.5648 -161644.3367 -109145.5095 299.2973 -17.7315 12.5948 761880.8354 28.1870 28.2231 PRESSURE: 1718800 -243.802 -161.417 42.8014 -161.417 -31.8012 150.213 42.8018 150.214 -171.229 GPRESSURE: 1718800 -290.218 -6.93437 60.8867 -14.3824 27.8067 219.485 -97.2787 157.111 -115.534 PRESSAVG: 1718800 -1.09337 33.9363 7.78504 33.9363 -0.639708 -4.68324 7.78507 -4.68321 -0.303788 GPRESSAVG: 1718800 -0.656482 31.2558 8.80455 37.3136 -2.05887 -1.57428 9.80604 -7.05295 -0.120462 TIMING: 1718800 CPU: 5416.57, 0.00320828/step Wall: 5416.57, 0.00320827/step, 2.92416 hours remaining, 238.464844 MB of memory in use. ENERGY: 1718800 3973.4064 20567.0214 14362.5786 255.0300 -203372.1139 2605.3987 0.0000 0.0000 52200.6855 -109407.9933 299.9981 -161608.6788 -109045.5891 299.5683 -148.9442 -125.9818 763510.0826 -0.6790 -0.9453 PRESSURE: 1719000 -18.3823 26.8492 -151.814 26.8484 -540.871 74.3835 -151.815 74.3827 -356.633 GPRESSURE: 1719000 -68.7692 28.5486 -208.536 22.9063 -356.376 16.8311 -235.264 -25.4119 -404.58 PRESSAVG: 1719000 20.4577 -7.24852 -41.1283 -7.2485 1.39885 0.0910919 -41.1282 0.0910647 -1.21864 GPRESSAVG: 1719000 20.4823 -6.21712 -40.9338 -9.08898 2.8402 -4.16862 -43.778 1.98012 -2.48905 TIMING: 1719000 CPU: 5417.21, 0.00320326/step Wall: 5417.21, 0.00320326/step, 2.91942 hours remaining, 238.464844 MB of memory in use. ENERGY: 1719000 3960.1200 20572.5220 14478.2404 237.4664 -202893.9454 2315.2047 0.0000 0.0000 52075.8993 -109254.4927 299.2809 -161330.3920 -108891.5540 299.6250 -305.2955 -276.5749 764928.7207 6.8793 6.9445 PRESSURE: 1719200 -156.05 22.889 -3.32202 22.8895 183.625 284.024 -3.32215 284.024 -79.7026 GPRESSURE: 1719200 -52.3375 24.8581 36.3598 88.9185 183.36 391.279 -103.25 75.7311 -90.3242 PRESSAVG: 1719200 61.6942 -29.363 -25.1851 -29.363 -69.2987 10.9084 -25.1852 10.9084 -0.945414 GPRESSAVG: 1719200 62.2954 -28.4593 -25.5922 -29.7477 -69.7446 11.9937 -23.2382 12.1849 -0.845574 TIMING: 1719200 CPU: 5417.85, 0.0032073/step Wall: 5417.85, 0.0032073/step, 2.92292 hours remaining, 238.464844 MB of memory in use. ENERGY: 1719200 3965.8322 20484.9281 14417.4841 255.0261 -202806.4345 2379.2762 0.0000 0.0000 51969.8305 -109334.0572 298.6713 -161303.8878 -108971.2833 299.5787 -17.3760 13.5661 764646.1762 -2.8500 -2.7649 PRESSURE: 1719400 -146.661 102.233 -75.2699 102.232 -217.115 212.585 -75.2705 212.584 227.188 GPRESSURE: 1719400 -163.428 36.6429 -62.5471 95.4803 -190.183 170.681 -189.268 235.253 288.49 PRESSAVG: 1719400 30.221 -29.87 50.6809 -29.87 -20.7032 -29.9487 50.6809 -29.9488 0.20664 GPRESSAVG: 1719400 30.1215 -29.8873 51.1075 -30.3952 -19.8473 -30.0481 49.7531 -30.6461 -0.599695 TIMING: 1719400 CPU: 5418.49, 0.00319266/step Wall: 5418.49, 0.00319266/step, 2.9094 hours remaining, 238.464844 MB of memory in use. ENERGY: 1719400 3993.4530 20716.0883 14421.5810 254.4916 -203096.7451 2533.9637 0.0000 0.0000 52080.7218 -109096.4457 299.3086 -161177.1675 -108736.9409 299.6014 -45.5292 -21.7069 764450.7472 3.2415 3.2248 PRESSURE: 1719600 170.762 -100.77 75.2812 -100.769 -56.2545 -56.1093 75.2815 -56.1101 316.124 GPRESSURE: 1719600 184.128 -95.9921 103.294 -167.594 -30.6005 -99.59 75.0244 -43.6072 353.181 PRESSAVG: 1719600 86.5368 -49.052 -20.0474 -49.052 -53.1941 16.836 -20.0474 16.836 22.2076 GPRESSAVG: 1719600 85.8373 -50.4825 -20.0637 -49.6837 -53.2588 17.6251 -20.6223 17.2554 23.0431 TIMING: 1719600 CPU: 5419.12, 0.00318624/step Wall: 5419.12, 0.00318624/step, 2.90337 hours remaining, 238.464844 MB of memory in use. ENERGY: 1719600 4025.3964 20477.8025 14409.2221 248.6453 -203172.4133 2610.9376 0.0000 0.0000 52351.4101 -109048.9992 300.8643 -161400.4093 -108693.9087 300.3656 143.5439 168.9029 760074.7005 18.5167 18.5405 PRESSURE: 1719800 -258.724 -112.794 -172.53 -112.794 -389.185 130.934 -172.53 130.934 -301.002 GPRESSURE: 1719800 -191.028 -112.329 -125.913 -131.216 -250.297 49.637 -86.8495 30.3622 -409.666 PRESSAVG: 1719800 72.3373 -77.4404 2.83158 -77.4403 -54.792 -51.6006 2.8316 -51.6008 7.36671 GPRESSAVG: 1719800 73.0351 -77.5475 2.3353 -74.9531 -54.6549 -53.0671 4.52264 -54.0749 6.94807 TIMING: 1719800 CPU: 5419.77, 0.00320977/step Wall: 5419.77, 0.00320977/step, 2.92464 hours remaining, 238.464844 MB of memory in use. ENERGY: 1719800 4020.2029 20527.2407 14417.0940 241.8159 -202641.8933 2083.4255 0.0000 0.0000 52206.7150 -109145.3994 300.0327 -161352.1144 -108780.5857 300.2524 -316.3040 -283.6637 760376.9641 8.3040 8.4428 PRESSURE: 1720000 357.522 -60.6156 40.8998 -60.6146 -268.124 -301.025 40.8998 -301.024 -196.056 GPRESSURE: 1720000 346.488 -30.3831 11.6881 98.5292 -182.304 -337.369 31.2438 -338.585 -175.776 PRESSAVG: 1720000 59.8388 -67.9899 -9.96422 -67.9899 -31.5978 -42.8176 -9.96417 -42.8176 12.843 GPRESSAVG: 1720000 59.9282 -67.4747 -8.84822 -68.6016 -31.9705 -42.9015 -11.7854 -42.2274 12.5656 TIMING: 1720000 CPU: 5420.41, 0.00321636/step Wall: 5420.41, 0.00321636/step, 2.93046 hours remaining, 238.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1720000 4018.1882 20485.1045 14395.5444 236.8446 -203133.7379 2475.6804 0.0000 0.0000 52193.3670 -109329.0087 299.9560 -161522.3757 -108967.9589 300.1809 -35.5525 -3.8639 761688.5195 13.6947 13.5078 PRESSURE: 1720200 20.8911 137.551 -256.281 137.55 -3.40072 -55.723 -256.281 -55.7233 -355.964 GPRESSURE: 1720200 38.1662 99.8668 -247.788 178.606 30.4577 -62.6792 -287.35 47.6571 -322.713 PRESSAVG: 1720200 -4.71712 -37.5605 -17.5532 -37.5605 -6.29053 -12.8914 -17.5532 -12.8915 -3.48006 GPRESSAVG: 1720200 -5.58555 -35.5789 -17.8148 -39.0826 -6.32305 -12.9403 -16.9379 -11.7292 -2.69872 TIMING: 1720200 CPU: 5421.05, 0.00321391/step Wall: 5421.05, 0.00321391/step, 2.92805 hours remaining, 238.464844 MB of memory in use. ENERGY: 1720200 3926.6238 20674.8153 14356.7742 283.1206 -203527.3685 2609.0223 0.0000 0.0000 51970.6584 -109706.3539 298.6761 -161677.0123 -109344.1421 299.3626 -112.8245 -84.6964 760180.7582 -4.8292 -4.8691 LDB: ============= START OF LOAD BALANCING ============== 5433.46 LDB: ============== END OF LOAD BALANCING =============== 5433.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5433.46 LDB: ============= START OF LOAD BALANCING ============== 5433.78 LDB: Largest compute 7034 load 0.038766 is 19.8% of average load 0.196035 LDB: Average compute 0.004395 is 2.2% of average load 0.196035 LDB: TIME 5433.78 LOAD: AVG 0.196035 MAX 0.217149 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.234 MB LDB: TIME 5433.78 LOAD: AVG 0.196035 MAX 0.217149 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.473 MB LDB: TIME 5433.78 LOAD: AVG 0.196035 MAX 0.217149 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.473 MB LDB: ============== END OF LOAD BALANCING =============== 5433.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5433.79 PRESSURE: 1720400 204.871 -12.8811 116.073 -12.8809 -188.72 207.479 116.073 207.479 -106.02 GPRESSURE: 1720400 152.52 -41.2591 72.7008 4.5237 -68.5747 128.708 72.0268 283.243 -74.2695 PRESSAVG: 1720400 -21.1771 11.401 -6.80824 11.401 22.4712 -22.4088 -6.80825 -22.4088 4.58273 GPRESSAVG: 1720400 -22.1224 9.40455 -7.93314 12.174 23.1158 -22.7688 -8.31687 -21.3488 4.5472 TIMING: 1720400 CPU: 5421.71, 0.00326335/step Wall: 5421.71, 0.00326335/step, 2.97291 hours remaining, 237.695312 MB of memory in use. ENERGY: 1720400 3938.1804 20506.7468 14332.0473 241.5961 -203394.4329 2599.9413 0.0000 0.0000 52051.6906 -109724.2304 299.1418 -161775.9210 -109357.9705 298.6061 -29.9561 3.2251 760821.5769 1.9589 1.8468 PRESSURE: 1720600 -26.8252 28.9018 90.3565 28.9014 -99.4381 111.592 90.3571 111.59 92.5212 GPRESSURE: 1720600 25.1976 -15.6062 59.0539 116.427 -91.5629 108.571 72.7105 85.4743 116.526 PRESSAVG: 1720600 2.09966 -4.50397 25.3329 -4.50396 -18.4362 -23.9747 25.3328 -23.9747 5.19808 GPRESSAVG: 1720600 4.42095 -4.06974 25.2435 -3.94613 -19.7949 -23.6702 26.3722 -24.3516 3.53183 TIMING: 1720600 CPU: 5422.35, 0.00320233/step Wall: 5422.35, 0.00320233/step, 2.91714 hours remaining, 237.898438 MB of memory in use. ENERGY: 1720600 3954.7154 20307.6409 14415.2051 248.6897 -203346.3068 2551.9477 0.0000 0.0000 52144.9604 -109723.1477 299.6778 -161868.1081 -109352.1587 298.8253 -11.2474 16.7204 763821.0269 -3.7128 -3.9474 PRESSURE: 1720800 224.242 -56.4467 193.197 -56.4466 -112.552 99.9522 193.197 99.9521 -106.611 GPRESSURE: 1720800 234.575 20.2269 260.827 -82.5931 -73.1733 193.492 183.868 13.0887 -63.2233 PRESSAVG: 1720800 -30.9673 12.3865 38.11 12.3864 46.5842 3.65723 38.11 3.65728 -25.4043 GPRESSAVG: 1720800 -31.7522 11.4762 38.0626 12.763 46.179 4.44761 39.2433 0.302283 -24.5149 TIMING: 1720800 CPU: 5422.98, 0.00317337/step Wall: 5422.98, 0.00317337/step, 2.89059 hours remaining, 237.898438 MB of memory in use. ENERGY: 1720800 4003.8449 20364.4403 14382.6595 236.7247 -203510.8214 2570.7473 0.0000 0.0000 52237.8563 -109714.5483 300.2117 -161952.4046 -109342.6559 298.9242 1.6929 32.7261 760551.9604 -3.2625 -3.3627 PRESSURE: 1721000 301.716 -153.488 -233.973 -153.488 461.159 -219.934 -233.973 -219.934 134.36 GPRESSURE: 1721000 341.098 -78.4643 -206.74 -170.02 440.631 -176.708 -155.035 -118 207.833 PRESSAVG: 1721000 -11.4065 -21.3583 43.5003 -21.3583 20.6295 17.2202 43.5003 17.2202 11.5921 GPRESSAVG: 1721000 -12.0086 -20.7058 44.2752 -24.7977 21.6302 18.6034 44.6934 18.9075 11.7384 TIMING: 1721000 CPU: 5423.62, 0.003208/step Wall: 5423.62, 0.003208/step, 2.92195 hours remaining, 237.898438 MB of memory in use. ENERGY: 1721000 3988.5574 20498.4233 14445.1682 257.7695 -203470.6854 2659.4361 0.0000 0.0000 52050.9836 -109570.3473 299.1377 -161621.3308 -109201.7640 299.3250 299.0782 329.8540 759995.7616 6.9384 7.1200 PRESSURE: 1721200 -161.461 -67.5822 197.187 -67.5814 -141.485 -11.5211 197.187 -11.5206 414.876 GPRESSURE: 1721200 -42.848 -48.0064 322.646 -53.4834 -149.023 -57.3958 62.6401 18.8716 384.308 PRESSAVG: 1721200 -30.9354 -61.0521 37.2541 -61.0521 17.8707 28.5721 37.2541 28.5721 17.1906 GPRESSAVG: 1721200 -30.3053 -60.4191 38.4072 -60.4261 17.1512 24.5754 36.0756 28.7289 17.1636 TIMING: 1721200 CPU: 5424.26, 0.0031959/step Wall: 5424.26, 0.0031959/step, 2.91076 hours remaining, 237.898438 MB of memory in use. ENERGY: 1721200 3997.3517 20540.9853 14504.3500 245.7541 -203363.9654 2635.9693 0.0000 0.0000 52020.3256 -109419.2293 298.9615 -161439.5549 -109062.2451 299.0630 37.3102 64.1453 760744.2707 1.3753 1.3365 PRESSURE: 1721400 -278.26 -116.513 114.185 -116.514 269.292 -82.1647 114.185 -82.1634 -249.371 GPRESSURE: 1721400 -204.424 -70.655 131.06 -127.523 217.565 -73.0559 111.792 -62.8842 -194.876 PRESSAVG: 1721400 -26.6784 -15.3666 26.7665 -15.3665 52.0109 -35.4342 26.7664 -35.4343 -4.20304 GPRESSAVG: 1721400 -26.7392 -15.3237 25.6868 -14.5055 51.9775 -33.5195 27.799 -35.4714 -4.25254 TIMING: 1721400 CPU: 5424.9, 0.00317885/step Wall: 5424.9, 0.00317885/step, 2.89505 hours remaining, 237.898438 MB of memory in use. ENERGY: 1721400 4021.2009 20527.4132 14378.5528 250.6738 -203126.9131 2488.8379 0.0000 0.0000 51897.4018 -109562.8328 298.2551 -161460.2346 -109189.9749 299.1561 -86.1127 -60.5783 761130.5796 7.0432 6.9952 PRESSURE: 1721600 -127.137 137.035 184.912 137.035 161.442 87.4328 184.911 87.4339 33.7265 GPRESSURE: 1721600 -126.364 171.112 218.714 -59.2538 173.627 -42.4232 214.99 52.9817 99.9263 PRESSAVG: 1721600 -32.7947 -14.5469 9.82225 -14.5469 38.0025 -41.2763 9.82228 -41.2763 24.4629 GPRESSAVG: 1721600 -33.3791 -14.4767 10.3079 -14.5142 37.9472 -42.3622 8.21205 -39.3924 25.3388 TIMING: 1721600 CPU: 5425.53, 0.00316592/step Wall: 5425.53, 0.00316591/step, 2.88309 hours remaining, 237.898438 MB of memory in use. ENERGY: 1721600 4058.5449 20507.6213 14349.6983 224.8081 -203095.5155 2538.3259 0.0000 0.0000 52025.5077 -109391.0093 298.9913 -161416.5170 -109035.3616 298.8622 22.6771 49.0630 762118.8772 9.8902 9.9690 PRESSURE: 1721800 45.3085 -234.715 -186.04 -234.716 345.075 120.97 -186.04 120.969 -34.2274 GPRESSURE: 1721800 185.968 -79.1015 -193.025 -213.867 296.293 85.0544 -223.192 61.0687 -39.1705 PRESSAVG: 1721800 -61.1134 -33.6292 -9.03832 -33.6292 49.0554 -4.31896 -9.03829 -4.31898 -15.5424 GPRESSAVG: 1721800 -60.8144 -34.0449 -10.0688 -33.3108 49.8068 -4.04356 -10.1119 -3.54056 -16.1055 TIMING: 1721800 CPU: 5426.17, 0.00318956/step Wall: 5426.17, 0.00318956/step, 2.90445 hours remaining, 237.898438 MB of memory in use. ENERGY: 1721800 4015.8533 20745.9482 14363.9187 222.7144 -203205.3433 2808.3024 0.0000 0.0000 51990.0219 -109058.5844 298.7874 -161048.6062 -108696.7293 299.7009 118.7188 147.6969 761919.3214 -9.2001 -9.0377 PRESSURE: 1722000 -240.234 -148.829 -80.842 -148.829 -418.126 -15.7564 -80.8417 -15.7574 -153.827 GPRESSURE: 1722000 -229.2 -69.0756 -56.8668 -158.97 -467.936 -65.2053 -149.247 71.2076 -30.0776 PRESSAVG: 1722000 -29.3865 -68.4005 -22.1723 -68.4005 16.6624 19.6559 -22.1723 19.6558 31.115 GPRESSAVG: 1722000 -29.3522 -69.1808 -21.5222 -67.116 17.2364 20.9416 -19.4081 17.7866 30.2697 TIMING: 1722000 CPU: 5426.8, 0.00316651/step Wall: 5426.8, 0.00316651/step, 2.88328 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1722000 4105.3532 20781.9474 14328.9696 259.1462 -203004.6799 2430.2639 0.0000 0.0000 51981.8780 -109117.1216 298.7406 -161098.9996 -108755.0774 299.6816 -270.7289 -242.4045 761376.0478 6.1303 6.0513 PRESSURE: 1722200 -246.758 -44.8365 -0.637314 -44.836 -0.182995 -161.025 -0.637439 -161.024 48.8774 GPRESSURE: 1722200 -171.589 -54.3624 37.6765 -3.75233 35.8396 -116.847 -46.4157 -199.92 18.7811 PRESSAVG: 1722200 -21.8158 -35.9286 -20.0616 -35.9286 14.0551 -68.2863 -20.0616 -68.2862 -17.2117 GPRESSAVG: 1722200 -21.3099 -35.5412 -19.3239 -38.2128 12.5538 -69.8901 -23.553 -69.1517 -16.5767 TIMING: 1722200 CPU: 5427.44, 0.00318134/step Wall: 5427.44, 0.00318134/step, 2.89661 hours remaining, 237.898438 MB of memory in use. ENERGY: 1722200 3987.4771 20610.7079 14366.1562 236.9077 -202747.3138 2294.8398 0.0000 0.0000 52057.6018 -109193.6233 299.1758 -161251.2251 -108827.3249 299.9713 -66.0213 -38.9895 762059.8717 -8.3241 -8.4443 PRESSURE: 1722400 -162.097 23.4903 -12.3309 23.4906 -132.244 283.691 -12.3316 283.69 102.323 GPRESSURE: 1722400 -216.594 -25.6416 -6.72211 124.202 -120.164 210.921 56.5434 287.651 215.21 PRESSAVG: 1722400 40.362 6.39083 3.12386 6.3909 -38.3126 -26.8297 3.12391 -26.8296 -3.69447 GPRESSAVG: 1722400 39.5664 6.59008 1.71625 8.01617 -37.796 -25.4351 5.89559 -26.9647 -3.62597 TIMING: 1722400 CPU: 5428.07, 0.00318225/step Wall: 5428.07, 0.00318225/step, 2.89726 hours remaining, 237.898438 MB of memory in use. ENERGY: 1722400 3976.5875 20612.4428 14408.3482 239.5959 -203222.6565 2536.0299 0.0000 0.0000 52348.2406 -109101.4116 300.8461 -161449.6521 -108726.0245 299.6466 -64.0060 -40.5160 761782.2851 -0.5484 -0.6185 PRESSURE: 1722600 194.414 101.47 92.9339 101.47 44.3882 -57.5506 92.9338 -57.5513 43.6769 GPRESSURE: 1722600 150.108 -15.7224 163.545 37.2363 99.5445 -86.7753 -59.2263 21.7151 146.589 PRESSAVG: 1722600 -16.5485 -81.6261 29.1682 -81.626 -13.2707 -39.7068 29.1682 -39.7068 1.48846 GPRESSAVG: 1722600 -16.4702 -80.2531 30.7541 -84.9739 -14.0752 -40.8137 28.9905 -37.9937 2.31827 TIMING: 1722600 CPU: 5428.71, 0.00316984/step Wall: 5428.71, 0.00316984/step, 2.88578 hours remaining, 237.898438 MB of memory in use. ENERGY: 1722600 4028.3320 20503.8341 14379.0850 246.8335 -202968.7578 2204.6623 0.0000 0.0000 52391.6626 -109214.3482 301.0956 -161606.0108 -108847.6474 300.2948 94.1597 132.0805 759715.8015 -9.4436 -9.4090 PRESSURE: 1722800 -205.769 57.1415 -179.07 57.1414 -254.006 -151.325 -179.07 -151.325 395.531 GPRESSURE: 1722800 -199.034 -13.7808 -251.481 13.2934 -163.412 -90.4153 -133.237 -14.7923 381.475 PRESSAVG: 1722800 5.89854 -55.0693 -2.03505 -55.0693 -19.1641 -52.965 -2.03506 -52.9649 -6.20849 GPRESSAVG: 1722800 4.38983 -56.0655 -3.22853 -53.1229 -17.9383 -51.6875 -2.92727 -53.6624 -6.12056 TIMING: 1722800 CPU: 5429.35, 0.00318631/step Wall: 5429.35, 0.00318631/step, 2.90061 hours remaining, 237.898438 MB of memory in use. ENERGY: 1722800 3936.1017 20530.8949 14375.8607 236.7264 -202825.8934 2536.9226 0.0000 0.0000 52094.5224 -109114.8648 299.3879 -161209.3871 -108758.0991 299.5438 -21.4145 6.3429 761353.8489 -6.4914 -6.5564 PRESSURE: 1723000 -206.74 -114.262 -60.8827 -114.261 -112.493 73.3745 -60.8831 73.3729 251.299 GPRESSURE: 1723000 -43.6203 -157.343 -41.884 -129.134 -153.814 22.538 -71.6109 140.305 226.529 PRESSAVG: 1723000 7.30267 -9.45213 -54.9729 -9.45215 3.69511 29.1093 -54.9729 29.1094 4.26932 GPRESSAVG: 1723000 10.2335 -11.3175 -56.3708 -8.75025 2.36552 28.6469 -53.4304 29.265 2.67729 TIMING: 1723000 CPU: 5429.99, 0.00321428/step Wall: 5429.99, 0.00321427/step, 2.92588 hours remaining, 237.898438 MB of memory in use. ENERGY: 1723000 4078.2243 20335.0551 14323.0898 242.3991 -202753.0953 2358.5672 0.0000 0.0000 52419.8176 -108995.9422 301.2574 -161415.7598 -108628.9562 300.0642 -22.6447 9.6981 760914.1303 5.0890 5.0921 PRESSURE: 1723200 292.181 -27.4874 -251.346 -27.4879 -271.444 228.969 -251.345 228.968 1.82494 GPRESSURE: 1723200 301.624 -33.0896 -244.511 -16.0542 -207.016 334.988 -155.785 101.009 7.30977 PRESSAVG: 1723200 -21.9714 -22.1728 -51.5691 -22.1728 19.9341 29.4235 -51.5691 29.4236 -7.2143 GPRESSAVG: 1723200 -22.9975 -20.8094 -49.5805 -23.1249 20.1376 28.8347 -51.2083 29.2707 -7.03623 TIMING: 1723200 CPU: 5430.63, 0.00321986/step Wall: 5430.63, 0.00321986/step, 2.93079 hours remaining, 237.898438 MB of memory in use. ENERGY: 1723200 4017.0026 20562.3570 14384.2232 239.4418 -203089.1075 2442.1902 0.0000 0.0000 52244.5262 -109199.3664 300.2500 -161443.8926 -108837.8200 299.8351 7.5208 33.9725 761449.7758 -3.0839 -3.2987 PRESSURE: 1723400 -108.385 -97.5908 -27.4887 -97.5901 -77.6985 -3.32892 -27.4886 -3.32964 -434.971 GPRESSURE: 1723400 -47.5794 -150.454 -114.381 -131.278 -106.199 -106.302 -5.09867 81.0014 -390.246 PRESSAVG: 1723400 19.8574 -75.9222 -18.1874 -75.9223 -26.2022 34.3536 -18.1874 34.3537 -11.0631 GPRESSAVG: 1723400 19.5505 -75.4351 -17.4853 -76.2369 -26.4357 34.3093 -20.5728 34.7115 -10.729 TIMING: 1723400 CPU: 5431.28, 0.003216/step Wall: 5431.28, 0.003216/step, 2.92709 hours remaining, 237.898438 MB of memory in use. ENERGY: 1723400 4074.9915 20665.4717 14376.0382 245.9025 -203431.0255 2560.4703 0.0000 0.0000 52072.5657 -109435.5857 299.2618 -161508.1514 -109073.5847 299.6076 -207.0179 -181.3417 760287.5934 -5.8026 -5.8714 PRESSURE: 1723600 -261.317 67.4062 158.381 67.4065 -167.925 -54.8931 158.382 -54.8931 -74.8256 GPRESSURE: 1723600 -250.594 135.641 111.979 128.022 -133.7 -88.6334 136.968 45.1705 -25.1352 PRESSAVG: 1723600 -33.1366 -47.4312 -19.0426 -47.4312 -3.44396 25.0221 -19.0426 25.0221 -17.432 GPRESSAVG: 1723600 -31.8839 -48.1737 -20.0745 -45.1479 -4.71001 26.7013 -19.421 23.6383 -17.442 TIMING: 1723600 CPU: 5431.92, 0.00320653/step Wall: 5431.92, 0.00320653/step, 2.9183 hours remaining, 237.898438 MB of memory in use. ENERGY: 1723600 4060.5182 20540.4452 14372.5779 259.2844 -203349.1146 2488.2253 0.0000 0.0000 52026.7278 -109601.3357 298.9983 -161628.0636 -109241.2100 299.4711 -168.0226 -136.4763 761641.0370 -18.0042 -18.0120 PRESSURE: 1723800 -59.1903 -163.78 -271.4 -163.781 -128.62 -409.539 -271.401 -409.539 -97.1186 GPRESSURE: 1723800 111.021 -289.915 -270.799 -131.244 -221.382 -438.594 -213.112 -269.48 -62.6487 PRESSAVG: 1723800 1.63712 14.5076 -38.2653 14.5076 -12.5797 -42.3471 -38.2653 -42.3471 20.9747 GPRESSAVG: 1723800 0.0824887 15.1154 -35.7295 13.9273 -12.1027 -43.375 -38.7334 -40.8605 22.2644 TIMING: 1723800 CPU: 5432.56, 0.00319221/step Wall: 5432.56, 0.00319221/step, 2.90509 hours remaining, 237.898438 MB of memory in use. ENERGY: 1723800 4009.2492 20544.4620 14429.1865 245.8034 -203418.6591 2542.8504 0.0000 0.0000 52276.2107 -109370.8969 300.4321 -161647.1076 -109006.3931 299.5602 -94.9762 -57.6701 761289.6026 3.3440 3.4147 PRESSURE: 1724000 92.7706 255.21 -42.4061 255.209 -216.677 213.622 -42.406 213.622 87.205 GPRESSURE: 1724000 166.777 206.927 -43.9994 247.677 -215.949 232.562 -24.8108 260.763 103.267 PRESSAVG: 1724000 22.8703 -18.6654 -6.92127 -18.6654 -16.578 -29.0764 -6.92129 -29.0764 7.55508 GPRESSAVG: 1724000 24.8268 -18.6668 -8.45049 -18.7792 -17.1933 -29.4054 -7.72131 -29.8064 5.84297 TIMING: 1724000 CPU: 5433.19, 0.00318832/step Wall: 5433.19, 0.00318832/step, 2.90137 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1724000 3966.5782 20571.2969 14397.5158 249.2952 -203821.2108 2996.9936 0.0000 0.0000 52358.7922 -109280.7388 300.9067 -161639.5310 -108907.7354 299.9595 -12.2339 18.0318 760593.9379 4.6158 4.4921 PRESSURE: 1724200 -82.1635 67.0991 27.7955 67.0996 102.661 -12.5326 27.7953 -12.5332 -395.805 GPRESSURE: 1724200 34.7687 128.677 74.7841 50.9325 104.904 97.304 14.5708 -28.1027 -420.627 PRESSAVG: 1724200 72.2339 16.2597 -25.287 16.2598 -21.2192 30.7727 -25.287 30.7726 -27.7599 GPRESSAVG: 1724200 70.8967 16.9066 -26.746 15.5376 -20.788 32.1542 -22.4506 31.8867 -26.9912 TIMING: 1724200 CPU: 5433.83, 0.00319189/step Wall: 5433.83, 0.00319189/step, 2.90444 hours remaining, 237.898438 MB of memory in use. ENERGY: 1724200 4033.4384 20584.8202 14473.6754 238.7502 -202785.6171 2313.2732 0.0000 0.0000 52181.0616 -108960.5981 299.8853 -161141.6597 -108592.5191 300.4055 -125.1022 -93.6512 763157.2368 7.7516 7.7059 LDB: ============= START OF LOAD BALANCING ============== 5446.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5446.23 LDB: =============== DONE WITH MIGRATION ================ 5446.23 LDB: ============= START OF LOAD BALANCING ============== 5446.55 LDB: Largest compute 7034 load 0.036546 is 18.6% of average load 0.195967 LDB: Average compute 0.004392 is 2.2% of average load 0.195967 LDB: TIME 5446.56 LOAD: AVG 0.195967 MAX 0.215801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.953 MB LDB: TIME 5446.56 LOAD: AVG 0.195967 MAX 0.215801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: TIME 5446.56 LOAD: AVG 0.195967 MAX 0.215801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: ============== END OF LOAD BALANCING =============== 5446.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5446.56 PRESSURE: 1724400 5.19592 41.0099 -47.5105 41.01 275.189 148.405 -47.5101 148.405 312.965 GPRESSURE: 1724400 147.481 72.4952 -25.1196 37.5225 205.607 67.6793 -13.8909 186.081 330.497 PRESSAVG: 1724400 -63.3483 19.8786 -58.9634 19.8787 56.6475 -6.08874 -58.9635 -6.08879 22.2933 GPRESSAVG: 1724400 -62.821 20.1595 -57.9305 20.7864 56.1896 -6.47157 -60.0482 -8.68395 22.2067 TIMING: 1724400 CPU: 5434.48, 0.00325168/step Wall: 5434.48, 0.00325168/step, 2.95867 hours remaining, 238.980469 MB of memory in use. ENERGY: 1724400 4003.0176 20636.4689 14436.7654 242.6373 -203017.5283 2560.4793 0.0000 0.0000 52159.7065 -108978.4534 299.7626 -161138.1599 -108616.2955 300.7175 197.7835 227.8614 762101.5842 5.1975 5.1918 PRESSURE: 1724600 198.066 71.6985 86.4103 71.698 450.804 58.2746 86.4102 58.2748 61.5946 GPRESSURE: 1724600 231.223 245.959 188.269 -1.37263 441.493 88.6696 61.2981 110.255 119.626 PRESSAVG: 1724600 -49.9616 -12.0396 -23.0578 -12.0396 65.4228 44.4168 -23.0577 44.4168 -24.3816 GPRESSAVG: 1724600 -50.1713 -10.9225 -24.2646 -13.5852 65.7806 43.708 -22.8092 48.5397 -24.3399 TIMING: 1724600 CPU: 5435.12, 0.00318504/step Wall: 5435.12, 0.00318504/step, 2.89786 hours remaining, 238.980469 MB of memory in use. ENERGY: 1724600 4026.5482 20433.7005 14487.5391 246.8758 -203097.8039 2679.7804 0.0000 0.0000 52098.6078 -109124.7521 299.4114 -161223.3599 -108761.3891 300.2386 236.8214 264.1141 761898.0481 -2.9735 -2.9102 PRESSURE: 1724800 204.307 199.747 206.99 199.747 -150.628 -193.969 206.99 -193.97 -123.771 GPRESSURE: 1724800 224.488 178.621 196.774 71.6488 -78.7286 -144.105 159.107 -179.197 -128.195 PRESSAVG: 1724800 19.8696 -16.0506 -12.8481 -16.0506 -40.4713 15.125 -12.8481 15.125 8.18734 GPRESSAVG: 1724800 19.869 -17.3927 -13.0032 -14.1729 -41.0962 14.0571 -11.164 14.4702 8.01574 TIMING: 1724800 CPU: 5435.75, 0.00315756/step Wall: 5435.75, 0.00315756/step, 2.87268 hours remaining, 238.980469 MB of memory in use. ENERGY: 1724800 4001.9486 20498.7002 14425.7418 257.8131 -203054.4740 2558.7010 0.0000 0.0000 52114.6287 -109196.9405 299.5035 -161311.5693 -108833.3930 299.3133 -23.3641 5.8549 761679.6578 -4.1381 -4.4038 PRESSURE: 1725000 -77.5171 -18.2833 76.3317 -18.2834 -143.3 33.1452 76.3319 33.1434 205.767 GPRESSURE: 1725000 -52.3083 -41.8381 -4.7163 46.8999 -56.3162 48.0374 139.976 -15.9704 198.303 PRESSAVG: 1725000 6.59223 -1.78862 7.864 -1.78852 -1.47742 -105.482 7.86403 -105.482 -21.2306 GPRESSAVG: 1725000 7.05894 -1.03791 7.71088 -3.33431 -1.36068 -104.781 7.83468 -107.714 -21.9766 TIMING: 1725000 CPU: 5436.38, 0.00316335/step Wall: 5436.38, 0.00316335/step, 2.87777 hours remaining, 238.980469 MB of memory in use. ENERGY: 1725000 3952.2702 20601.3315 14430.6085 251.9752 -203176.4446 2561.0520 0.0000 0.0000 52190.6521 -109188.5551 299.9404 -161379.2072 -108819.9467 299.7912 -5.0168 29.8930 761327.4880 -5.3719 -5.4261 PRESSURE: 1725200 96.6143 -74.9798 119.395 -74.9799 1.8852 97.1522 119.395 97.1516 48.5366 GPRESSURE: 1725200 71.2874 -9.87696 98.7504 -124.155 82.0393 36.5665 126.464 57.4835 72.6908 PRESSAVG: 1725200 -12.9432 8.99794 10.675 8.99789 7.21811 -48.7373 10.675 -48.7373 -19.6774 GPRESSAVG: 1725200 -13.377 7.74978 10.1822 9.2219 7.03912 -49.069 10.827 -47.2988 -19.0675 TIMING: 1725200 CPU: 5437.02, 0.00316775/step Wall: 5437.02, 0.00316775/step, 2.8816 hours remaining, 238.980469 MB of memory in use. ENERGY: 1725200 3986.7015 20588.8889 14446.3107 246.9119 -203198.0004 2539.1871 0.0000 0.0000 52122.2205 -109267.7797 299.5471 -161390.0002 -108915.3811 299.5287 49.0120 75.3391 760480.3467 -8.4675 -8.4684 PRESSURE: 1725400 317.867 -46.7739 45.2531 -46.7742 260.928 59.8791 45.2534 59.8798 252.087 GPRESSURE: 1725400 306.212 -12.1728 -20.8618 -162.59 336.942 55.5623 207.336 124.076 259.614 PRESSAVG: 1725400 -60.7671 -31.7817 18.5638 -31.7817 84.2285 -26.8729 18.5637 -26.8729 9.18982 GPRESSAVG: 1725400 -61.8894 -30.3266 20.2594 -30.3753 84.5548 -27.9427 17.0825 -26.139 9.92484 TIMING: 1725400 CPU: 5437.65, 0.00316065/step Wall: 5437.65, 0.00316065/step, 2.87496 hours remaining, 238.980469 MB of memory in use. ENERGY: 1725400 3951.8925 20436.4437 14513.6772 242.1417 -203119.9565 2504.5171 0.0000 0.0000 52310.1540 -109161.1304 300.6272 -161471.2844 -108789.6121 300.1418 276.9608 300.9228 759850.5254 10.8837 10.8634 PRESSURE: 1725600 66.0902 -169.674 115.273 -169.672 217.258 -10.701 115.272 -10.7018 -209.064 GPRESSURE: 1725600 159.091 -118.063 -67.7492 -10.548 170.437 -64.5954 81.3736 109.416 -169.307 PRESSAVG: 1725600 -15.331 -34.4697 13.8465 -34.4697 24.9094 4.02035 13.8464 4.02032 0.504241 GPRESSAVG: 1725600 -13.0469 -34.9379 11.0781 -34.6312 23.3694 6.87862 15.9669 3.14114 0.283437 TIMING: 1725600 CPU: 5438.28, 0.00315914/step Wall: 5438.28, 0.00315914/step, 2.87341 hours remaining, 238.980469 MB of memory in use. ENERGY: 1725600 4044.7657 20350.8332 14432.1660 248.2505 -203342.3979 2679.7669 0.0000 0.0000 52448.2047 -109138.4110 301.4206 -161586.6157 -108769.9064 300.1083 24.7614 53.4073 761919.3313 3.3609 3.5353 PRESSURE: 1725800 -332.467 47.2685 209.472 47.2684 107.956 -28.9177 209.472 -28.9167 181.051 GPRESSURE: 1725800 -305.947 55.8162 227.615 22.2988 196.208 61.0687 45.904 162.066 158.219 PRESSAVG: 1725800 -3.25152 -45.8339 -48.3402 -45.8339 -1.78263 0.363209 -48.3402 0.363137 6.6059 GPRESSAVG: 1725800 -3.78318 -47.9121 -45.8976 -47.4917 -1.19244 1.09281 -50.3866 1.98959 6.04102 TIMING: 1725800 CPU: 5438.91, 0.00314839/step Wall: 5438.91, 0.00314839/step, 2.86346 hours remaining, 238.980469 MB of memory in use. ENERGY: 1725800 3900.1070 20293.8114 14372.0713 237.4966 -203061.9985 2588.8154 0.0000 0.0000 52175.8733 -109493.8234 299.8555 -161669.6968 -109125.2340 299.5616 -14.4869 16.1603 763976.0208 0.5239 0.3551 PRESSURE: 1726000 -159.312 -111.369 -9.2303 -111.369 292.522 135.951 -9.2305 135.95 4.5831 GPRESSURE: 1726000 -113.719 -132.066 -45.5524 -106.16 356.053 79.0937 173.214 74.8586 -2.7533 PRESSAVG: 1726000 -13.3248 -12.7633 -12.6735 -12.7634 18.5617 -1.81961 -12.6736 -1.81967 15.1775 GPRESSAVG: 1726000 -13.9105 -12.2172 -13.9374 -10.0947 18.8061 -2.25571 -12.8577 -3.89424 15.3206 TIMING: 1726000 CPU: 5439.54, 0.00317078/step Wall: 5439.54, 0.00317078/step, 2.88365 hours remaining, 238.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1726000 3960.4535 20441.5997 14403.8467 239.0711 -203396.5027 2995.1617 0.0000 0.0000 51911.8445 -109444.5255 298.3381 -161356.3700 -109087.1218 298.7094 45.9312 79.8601 761900.6804 6.8048 6.7387 PRESSURE: 1726200 -247.962 48.4859 221.514 48.4857 88.6108 198.996 221.513 198.998 229.497 GPRESSURE: 1726200 -128.257 122.539 110.282 165.755 82.4169 202.969 173.084 253.896 203.957 PRESSAVG: 1726200 2.17785 -28.9547 -1.85401 -28.9547 -11.571 -24.5344 -1.85391 -24.5344 9.56026 GPRESSAVG: 1726200 2.04595 -26.8667 -0.454472 -29.3407 -9.87809 -25.2901 -0.299771 -23.7859 7.89459 TIMING: 1726200 CPU: 5440.17, 0.00314966/step Wall: 5440.17, 0.00314966/step, 2.86427 hours remaining, 238.980469 MB of memory in use. ENERGY: 1726200 3931.2746 20421.2638 14387.1579 261.2070 -202724.1476 2330.2956 0.0000 0.0000 51928.9543 -109463.9946 298.4364 -161392.9488 -109096.2887 298.5760 23.3819 52.7057 761279.7019 0.0557 0.0208 PRESSURE: 1726400 287.196 99.3284 458.585 99.3292 106.461 237.096 458.584 237.096 242.38 GPRESSURE: 1726400 299.727 41.7587 490.57 53.1471 154.23 288.477 456.481 98.2542 237.881 PRESSAVG: 1726400 18.7557 2.02421 -4.70945 2.02424 -11.9364 58.6684 -4.70946 58.6684 2.40842 GPRESSAVG: 1726400 19.7479 0.775587 -6.6717 1.08346 -13.5925 60.3319 -4.69414 57.1666 3.00909 TIMING: 1726400 CPU: 5440.81, 0.0031817/step Wall: 5440.81, 0.0031817/step, 2.89323 hours remaining, 238.980469 MB of memory in use. ENERGY: 1726400 4037.5406 20407.8242 14375.2531 248.7378 -203493.8620 2717.4332 0.0000 0.0000 52164.7569 -109542.3162 299.7916 -161707.0731 -109174.9801 298.9032 212.0124 230.6128 759762.2516 3.0759 3.0548 PRESSURE: 1726600 0.729926 -169.202 222.82 -169.203 129.067 91.1973 222.819 91.1964 85.7368 GPRESSURE: 1726600 -70.9113 -112.386 166.031 -184.245 144.138 130.593 179.681 204.78 211.747 PRESSAVG: 1726600 -22.3975 10.2946 -12.1548 10.2946 48.9579 48.2477 -12.1548 48.2476 5.80111 GPRESSAVG: 1726600 -22.7692 10.2062 -9.91355 9.69185 48.9452 47.7383 -13.78 47.5137 6.02444 TIMING: 1726600 CPU: 5441.44, 0.00316871/step Wall: 5441.44, 0.00316871/step, 2.88123 hours remaining, 238.980469 MB of memory in use. ENERGY: 1726600 4018.1386 20590.5959 14372.5851 254.1644 -203741.6548 2810.9860 0.0000 0.0000 52066.8926 -109628.2922 299.2291 -161695.1848 -109253.7775 299.2161 71.8447 94.9913 761194.5201 10.7872 10.7335 PRESSURE: 1726800 23.7692 -62.0014 -262.319 -61.9999 324.238 90.6686 -262.32 90.6676 124.166 GPRESSURE: 1726800 132.435 -36.4288 -182.299 -49.2062 264.006 78.7468 -41.2182 -8.49984 177.265 PRESSAVG: 1726800 -28.979 -7.86269 -47.7057 -7.86268 5.05464 5.80186 -47.7056 5.80177 2.17659 GPRESSAVG: 1726800 -28.7212 -7.50223 -49.1482 -7.79634 5.23698 4.9656 -44.7306 7.28987 1.80424 TIMING: 1726800 CPU: 5442.08, 0.0031727/step Wall: 5442.08, 0.0031727/step, 2.88469 hours remaining, 238.980469 MB of memory in use. ENERGY: 1726800 3885.1566 20733.2200 14421.1490 249.1331 -203058.0881 2180.8225 0.0000 0.0000 52069.7977 -109518.8092 299.2458 -161588.6069 -109156.0802 299.3568 157.3909 191.2355 759812.9712 -7.2493 -7.2267 PRESSURE: 1727000 -38.911 173.869 -178.315 173.869 -312.554 88.5226 -178.315 88.524 -14.6549 GPRESSURE: 1727000 133.882 64.4522 -161.829 194.037 -333.808 89.7081 -246.025 -26.4397 -78.2164 PRESSAVG: 1727000 -28.964 -76.2874 5.67367 -76.2875 20.9538 -52.6413 5.67371 -52.6413 -29.7729 GPRESSAVG: 1727000 -29.4135 -79.025 6.76334 -75.1814 20.6736 -51.7757 3.43956 -52.2581 -28.2996 TIMING: 1727000 CPU: 5442.71, 0.00316615/step Wall: 5442.71, 0.00316615/step, 2.87855 hours remaining, 238.980469 MB of memory in use. ENERGY: 1727000 3890.2836 20435.6258 14431.0257 235.1832 -202908.0995 2377.3035 0.0000 0.0000 51902.0947 -109636.5830 298.2821 -161538.6777 -109265.0461 298.7265 -122.0399 -92.7143 762504.8485 -12.5944 -12.3465 PRESSURE: 1727200 -120.763 -25.2243 -36.5846 -25.2239 -26.6434 -147.363 -36.584 -147.363 23.3007 GPRESSURE: 1727200 0.883748 -8.45546 -25.3356 -10.1055 -3.86971 -194.167 61.8006 97.8418 -43.8593 PRESSAVG: 1727200 3.98831 -45.0943 -16.0528 -45.0943 6.64279 27.8103 -16.0528 27.8103 27.3147 GPRESSAVG: 1727200 4.44067 -42.9972 -15.3001 -47.2299 6.80376 26.3046 -16.2838 29.7542 26.6322 TIMING: 1727200 CPU: 5443.34, 0.00316425/step Wall: 5443.34, 0.00316425/step, 2.87665 hours remaining, 238.980469 MB of memory in use. ENERGY: 1727200 3989.6269 20538.3013 14377.8214 246.2813 -203388.7661 2599.3793 0.0000 0.0000 52085.8640 -109551.4919 299.3382 -161637.3559 -109196.5346 298.4334 -41.3686 -15.6151 759570.6665 12.6486 12.6256 PRESSURE: 1727400 54.6476 -54.716 -149.878 -54.7163 151.107 -23.3477 -149.878 -23.3479 242.184 GPRESSURE: 1727400 36.4925 40.919 -148.306 -51.5567 192.655 -6.91951 -84.2294 -82.967 288.168 PRESSAVG: 1727400 20.8572 -59.4399 -8.94207 -59.4399 -0.848944 37.2527 -8.94211 37.2527 3.8992 GPRESSAVG: 1727400 20.2903 -59.1287 -10.1472 -57.6902 -1.29652 38.6639 -8.65547 33.4381 4.70882 TIMING: 1727400 CPU: 5443.98, 0.00317091/step Wall: 5443.98, 0.00317091/step, 2.88253 hours remaining, 238.980469 MB of memory in use. ENERGY: 1727400 3993.1063 20475.0207 14476.1721 250.8979 -203200.5477 2636.4062 0.0000 0.0000 51888.4808 -109480.4637 298.2038 -161368.9445 -109122.7869 298.4629 149.3129 172.4384 761158.1979 7.9691 7.9008 PRESSURE: 1727600 369.589 12.0594 20.3788 12.0591 -132.35 -10.856 20.3787 -10.8548 -12.2218 GPRESSURE: 1727600 341.495 131.609 0.571021 3.41925 -63.4368 -38.7034 -22.6633 57.7108 21.7311 PRESSAVG: 1727600 -4.92426 -18.9769 -14.2928 -18.977 47.5832 -22.8608 -14.2928 -22.8607 -13.2038 GPRESSAVG: 1727600 -4.52262 -19.3403 -14.5391 -20.4461 47.3201 -23.7989 -14.5627 -21.2048 -13.0855 TIMING: 1727600 CPU: 5444.61, 0.00317289/step Wall: 5444.61, 0.00317289/step, 2.88415 hours remaining, 238.980469 MB of memory in use. ENERGY: 1727600 4009.8802 20458.3287 14496.4229 242.8537 -203592.5622 2840.3295 0.0000 0.0000 52084.6748 -109460.0724 299.3313 -161544.7472 -109104.7102 298.8987 75.0057 99.9299 760490.7446 9.8184 9.9040 PRESSURE: 1727800 35.6984 -91.0588 134.103 -91.0591 108.026 -62.177 134.104 -62.1767 -169.054 GPRESSURE: 1727800 45.6746 -20.4987 216.1 31.471 97.932 -121.508 96.8623 74.0966 -91.9474 PRESSAVG: 1727800 -28.757 -13.3768 6.3079 -13.3768 -12.9326 41.5182 6.30795 41.5181 -6.13421 GPRESSAVG: 1727800 -28.6403 -13.2547 6.01486 -12.7214 -13.1885 41.2644 6.97721 41.451 -6.01493 TIMING: 1727800 CPU: 5445.25, 0.00318128/step Wall: 5445.25, 0.00318128/step, 2.89161 hours remaining, 238.980469 MB of memory in use. ENERGY: 1727800 3993.7657 20711.6954 14373.1553 244.2024 -203046.4163 2541.1596 0.0000 0.0000 51792.3379 -109390.1001 297.6513 -161182.4380 -109043.6455 299.4815 -8.4431 17.2197 762219.2740 -15.9413 -15.9479 PRESSURE: 1728000 -101.355 41.3926 -59.6005 41.3928 -138.609 -31.726 -59.6012 -31.7265 108.324 GPRESSURE: 1728000 -42.6543 -0.792012 -91.2748 60.604 -92.6042 26.4287 1.26062 -97.6098 99.5204 PRESSAVG: 1728000 21.9463 7.11122 1.97522 7.11123 -10.3954 10.1644 1.97522 10.1644 -3.39111 GPRESSAVG: 1728000 22.0363 7.62332 3.03085 6.50812 -8.81527 12.7208 3.20172 10.3439 -5.1145 TIMING: 1728000 CPU: 5445.89, 0.00320381/step Wall: 5445.89, 0.00320381/step, 2.91191 hours remaining, 238.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1728000 4002.1899 20531.4045 14400.1326 239.8900 -203150.2190 2687.8945 0.0000 0.0000 52179.3312 -109109.3764 299.8753 -161288.7075 -108744.4092 299.5873 -43.8800 -11.9127 762141.0943 2.7199 2.7022 PRESSURE: 1728200 16.8122 43.6462 -89.042 43.6457 15.9417 76.169 -89.0428 76.1694 -12.9477 GPRESSURE: 1728200 111.241 96.8927 -96.3387 -96.6674 3.50416 109.796 -143.71 -85.9466 -5.44974 PRESSAVG: 1728200 -25.791 44.3288 -18.6495 44.3288 30.7995 43.5263 -18.6495 43.5263 -4.82973 GPRESSAVG: 1728200 -25.2165 44.0389 -19.1547 43.0033 30.6068 42.6864 -20.2075 41.2496 -4.33849 TIMING: 1728200 CPU: 5446.53, 0.00318634/step Wall: 5446.53, 0.00318634/step, 2.89585 hours remaining, 238.980469 MB of memory in use. ENERGY: 1728200 3945.1393 20597.6377 14365.6362 234.5503 -203316.5949 2546.4848 0.0000 0.0000 52378.5868 -109248.5599 301.0205 -161627.1467 -108888.2668 300.0113 6.6020 36.4317 761319.2581 0.0596 0.3506 LDB: ============= START OF LOAD BALANCING ============== 5458.93 LDB: ============== END OF LOAD BALANCING =============== 5458.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5458.93 LDB: ============= START OF LOAD BALANCING ============== 5459.25 LDB: Largest compute 7033 load 0.034618 is 17.7% of average load 0.195954 LDB: Average compute 0.004374 is 2.2% of average load 0.195954 LDB: TIME 5459.25 LOAD: AVG 0.195954 MAX 0.217521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.777 MB LDB: TIME 5459.25 LOAD: AVG 0.195954 MAX 0.217521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.844 MB LDB: TIME 5459.25 LOAD: AVG 0.195954 MAX 0.217521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.844 MB LDB: ============== END OF LOAD BALANCING =============== 5459.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5459.26 PRESSURE: 1728400 -125.97 -65.9791 -125.414 -65.9785 9.85613 42.5119 -125.414 42.5124 -95.3212 GPRESSURE: 1728400 -162.651 -28.4519 -159.397 -68.1039 111.05 64.4253 -102.699 49.3179 -77.8803 PRESSAVG: 1728400 -25.4964 54.3549 -9.23739 54.3548 40.06 27.6891 -9.23738 27.6892 12.6679 GPRESSAVG: 1728400 -26.2362 55.6024 -9.28458 56.3253 40.6029 25.5322 -7.77051 29.6493 12.6969 TIMING: 1728400 CPU: 5447.18, 0.0032381/step Wall: 5447.18, 0.0032381/step, 2.94271 hours remaining, 237.039062 MB of memory in use. ENERGY: 1728400 3963.3301 20359.6708 14417.8483 257.5559 -203077.2057 2775.0407 0.0000 0.0000 52152.8396 -109150.9202 299.7231 -161303.7598 -108785.1294 299.2397 -70.4784 -43.1605 763296.6251 9.0772 9.0212 PRESSURE: 1728600 254.721 -140.985 138.295 -140.984 -206.631 -108.887 138.295 -108.887 44.6646 GPRESSURE: 1728600 185.388 -185.946 146.161 -137.685 -39.6308 -102.924 145.093 58.594 54.663 PRESSAVG: 1728600 1.1694 -31.2555 46.9571 -31.2555 -14.7397 7.48637 46.9571 7.48642 -13.4873 GPRESSAVG: 1728600 0.0475843 -34.3716 48.2071 -33.0723 -15.537 9.43789 45.0078 5.7795 -12.0175 TIMING: 1728600 CPU: 5447.81, 0.00315479/step Wall: 5447.81, 0.00315479/step, 2.86683 hours remaining, 237.039062 MB of memory in use. ENERGY: 1728600 4003.3622 20412.3250 14443.7979 257.5758 -202894.3666 2455.4725 0.0000 0.0000 52164.0725 -109157.7606 299.7876 -161321.8332 -108787.6479 299.3830 30.9181 66.8066 761776.6743 -9.0192 -9.1690 PRESSURE: 1728800 -174.682 66.8079 130.471 66.8082 30.2125 176.27 130.471 176.27 -4.29117 GPRESSURE: 1728800 -165.079 245.397 76.6394 64.207 29.3012 -30.6935 118.04 230.269 58.5465 PRESSAVG: 1728800 31.6404 -42.4856 29.3976 -42.4856 -10.4633 10.8173 29.3976 10.8172 18.9085 GPRESSAVG: 1728800 31.4934 -39.7795 28.7903 -41.3716 -9.71656 9.76163 29.7717 10.5697 18.2792 TIMING: 1728800 CPU: 5448.44, 0.00317144/step Wall: 5448.44, 0.00317144/step, 2.88178 hours remaining, 237.039062 MB of memory in use. ENERGY: 1728800 4037.8625 20545.2096 14425.8823 251.6281 -203584.9803 2857.9135 0.0000 0.0000 52217.5199 -109248.9643 300.0948 -161466.4842 -108892.9941 300.0272 -49.5870 -25.7438 762602.4062 13.3619 13.3520 PRESSURE: 1729000 -162.198 151.389 15.4045 151.389 -154.955 -121.451 15.4048 -121.45 492.589 GPRESSURE: 1729000 -96.3172 34.4873 -98.3532 114.81 -88.5651 -46.7631 131.961 -169.251 428.753 PRESSAVG: 1729000 -44.6198 -20.9987 2.2784 -20.9986 36.2761 23.2741 2.27832 23.2741 -9.06105 GPRESSAVG: 1729000 -42.5366 -22.8785 2.57603 -19.0179 36.0142 21.9645 2.14389 23.953 -10.4785 TIMING: 1729000 CPU: 5449.09, 0.00323183/step Wall: 5449.09, 0.00323183/step, 2.93648 hours remaining, 237.039062 MB of memory in use. ENERGY: 1729000 3973.7976 20498.8001 14422.5011 238.2672 -202924.0343 2604.7617 0.0000 0.0000 51994.2805 -109191.6261 298.8118 -161185.9066 -108824.0145 299.0461 58.4789 81.2902 762868.1579 -5.8016 -5.6670 PRESSURE: 1729200 -46.4127 -89.812 89.501 -89.811 253.279 -105.432 89.5008 -105.432 -36.5488 GPRESSURE: 1729200 114.728 -215.949 99.924 -174.345 216.739 -195.05 90.3153 -146.242 -65.2777 PRESSAVG: 1729200 -44.8508 12.5167 13.8478 12.5167 -9.11225 -12.664 13.8479 -12.664 8.83278 GPRESSAVG: 1729200 -46.0418 13.5348 12.9006 10.2342 -9.38787 -11.2593 15.6334 -11.2361 10.2727 TIMING: 1729200 CPU: 5449.72, 0.00318847/step Wall: 5449.72, 0.00318847/step, 2.8969 hours remaining, 237.039062 MB of memory in use. ENERGY: 1729200 4010.5471 20582.0898 14378.5992 247.6864 -203264.4633 2801.2676 0.0000 0.0000 52040.5489 -109203.7243 299.0777 -161244.2732 -108856.9358 299.4807 56.7724 88.7295 762228.7298 -15.0434 -15.0523 PRESSURE: 1729400 186.217 -237.115 59.9856 -237.115 -57.3578 121.273 59.9859 121.273 17.6222 GPRESSURE: 1729400 250.087 -84.7414 40.3711 -234.269 -54.8366 136.055 -106.982 142.661 24.1242 PRESSAVG: 1729400 -2.7003 -28.2431 -1.71189 -28.2431 -22.9245 -16.4278 -1.71187 -16.4278 26.4603 GPRESSAVG: 1729400 -3.45559 -28.2434 -3.04498 -29.4892 -21.8398 -16.2364 -1.44458 -17.5465 25.7958 TIMING: 1729400 CPU: 5450.36, 0.00319176/step Wall: 5450.36, 0.00319176/step, 2.89971 hours remaining, 237.039062 MB of memory in use. ENERGY: 1729400 3970.8173 20748.9857 14427.9835 248.3237 -203203.5959 2392.8240 0.0000 0.0000 52270.3616 -109144.3001 300.3985 -161414.6617 -108779.8850 300.0593 48.8273 73.1248 761974.6008 0.2785 0.1668 PRESSURE: 1729600 -1.54065 19.4024 -71.7293 19.4026 127.312 14.92 -71.7293 14.9197 -414.367 GPRESSURE: 1729600 46.3116 34.2676 -64.0233 0.139489 108.448 -60.0855 56.8484 -50.3198 -379.681 PRESSAVG: 1729600 34.7439 10.6378 17.4206 10.6377 -29.2062 -43.2892 17.4205 -43.2892 -5.88686 GPRESSAVG: 1729600 35.1448 10.5136 18.0712 12.9461 -31.1952 -42.894 15.7892 -44.0195 -4.69101 TIMING: 1729600 CPU: 5451.01, 0.00321625/step Wall: 5451.01, 0.00321625/step, 2.92179 hours remaining, 237.039062 MB of memory in use. ENERGY: 1729600 3986.6435 20644.5144 14467.3161 248.3239 -202944.8277 2316.9019 0.0000 0.0000 52214.3668 -109066.7610 300.0767 -161281.1278 -108711.9744 299.7207 -96.1984 -74.9738 761602.3578 -0.1164 -0.2472 PRESSURE: 1729800 -155.184 2.61628 172.689 2.61518 -242.972 -16.4762 172.69 -16.4766 7.08489 GPRESSURE: 1729800 -92.1306 145.758 131.391 60.1209 -225.824 -43.5775 221.934 -127.415 0.104827 PRESSAVG: 1729800 65.6773 -52.7269 22.4226 -52.7268 -37.3365 -10.4183 22.4227 -10.4183 20.2424 GPRESSAVG: 1729800 65.7814 -51.5384 23.4933 -55.2973 -35.5068 -12.7906 21.1557 -8.65291 18.2739 TIMING: 1729800 CPU: 5451.65, 0.0032279/step Wall: 5451.65, 0.0032279/step, 2.93219 hours remaining, 237.039062 MB of memory in use. ENERGY: 1729800 4012.9878 20653.3997 14427.8615 259.6382 -202973.2189 2294.9999 0.0000 0.0000 52211.8094 -109112.5224 300.0620 -161324.3318 -108753.9801 300.6780 -130.3570 -105.9499 762014.3786 16.1944 16.1828 PRESSURE: 1730000 -88.1991 10.2172 -139.167 10.2161 124.858 -48.6353 -139.167 -48.6356 -101.703 GPRESSURE: 1730000 -61.6329 -127.168 -199.819 -35.3338 143.243 12.321 -158.549 -159.485 -62.3759 PRESSAVG: 1730000 41.7969 22.2255 62.732 22.2256 -14.1276 2.04083 62.732 2.04086 -16.1064 GPRESSAVG: 1730000 43.7437 22.4516 62.134 22.6604 -15.3956 3.3495 64.1978 1.13369 -16.1478 TIMING: 1730000 CPU: 5452.3, 0.0032285/step Wall: 5452.3, 0.0032285/step, 2.93255 hours remaining, 237.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1730000 4000.1377 20676.6466 14434.5779 238.0202 -203345.4010 2612.1083 0.0000 0.0000 52227.7617 -109156.1487 300.1537 -161383.9104 -108788.4281 300.2895 -21.6813 6.4114 761030.2177 3.8543 4.0668 PRESSURE: 1730200 -50.1849 81.9314 177.653 81.9305 -52.4054 49.5868 177.653 49.5856 -10.6197 GPRESSURE: 1730200 -36.3285 27.4586 125.735 40.9168 40.6119 35.5113 221.837 25.807 -18.2747 PRESSAVG: 1730200 36.84 40.1216 34.022 40.1215 -1.55745 -11.7597 34.0219 -11.7598 11.3326 GPRESSAVG: 1730200 34.157 38.5102 35.0894 39.7278 -1.34458 -10.3162 32.435 -12.284 13.6457 TIMING: 1730200 CPU: 5452.94, 0.00321029/step Wall: 5452.94, 0.00321029/step, 2.91583 hours remaining, 237.039062 MB of memory in use. ENERGY: 1730200 3957.0935 20548.7261 14400.4393 224.4533 -203143.7448 2466.6185 0.0000 0.0000 52180.4737 -109365.9405 299.8819 -161546.4142 -109006.5851 300.1255 -37.7367 -4.6637 762512.6673 15.5384 15.4861 PRESSURE: 1730400 -188.46 -158.496 38.3439 -158.496 313.827 -104.324 38.3434 -104.324 54.4737 GPRESSURE: 1730400 -77.981 -96.0889 91.7218 -64.0815 248.513 -6.65081 15.7522 -182.447 87.0532 PRESSAVG: 1730400 19.2337 7.74286 8.89166 7.7429 14.7426 -35.8088 8.89166 -35.8089 -7.50693 GPRESSAVG: 1730400 21.4758 8.69384 9.72932 10.1661 14.7672 -37.9829 9.97824 -34.9106 -9.82744 TIMING: 1730400 CPU: 5453.58, 0.00320422/step Wall: 5453.58, 0.00320422/step, 2.91014 hours remaining, 237.039062 MB of memory in use. ENERGY: 1730400 3947.6147 20532.6913 14508.4353 249.7977 -203655.6956 2883.8375 0.0000 0.0000 52022.1251 -109511.1941 298.9719 -161533.3192 -109142.9354 299.5299 59.9470 85.8616 760986.0501 8.8231 8.8052 PRESSURE: 1730600 -73.2019 -116.473 76.1419 -116.474 13.3256 73.4885 76.141 73.4889 368.617 GPRESSURE: 1730600 -77.1239 -76.2261 62.014 -172.418 70.8445 159.041 91.2714 182.255 381.279 PRESSAVG: 1730600 -1.12593 -20.8531 -6.91514 -20.853 9.22014 -14.3375 -6.91519 -14.3375 16.832 GPRESSAVG: 1730600 -0.603913 -20.2185 -10.9705 -21.4994 8.98817 -13.5422 -6.65868 -14.7976 17.0638 TIMING: 1730600 CPU: 5454.22, 0.00318698/step Wall: 5454.22, 0.00318698/step, 2.89431 hours remaining, 237.039062 MB of memory in use. ENERGY: 1730600 3891.3464 20505.1233 14460.7750 233.2319 -203617.2164 2807.0573 0.0000 0.0000 52004.2779 -109715.4045 298.8693 -161719.6824 -109359.5099 298.8884 102.9135 124.9999 762016.5248 8.3087 8.4827 PRESSURE: 1730800 -44.8771 -30.4032 40.3718 -30.4031 0.261227 -4.22172 40.3715 -4.22142 372.086 GPRESSURE: 1730800 58.2428 45.2504 39.6696 -119.596 -40.6145 32.9897 161.149 8.52926 384.514 PRESSAVG: 1730800 15.563 18.5949 4.34965 18.5949 23.0416 -22.9754 4.3496 -22.9754 22.3703 GPRESSAVG: 1730800 12.8976 20.4445 7.97668 15.0407 24.7909 -23.6079 4.42609 -23.923 23.4767 TIMING: 1730800 CPU: 5454.86, 0.00322963/step Wall: 5454.86, 0.00322963/step, 2.93286 hours remaining, 237.039062 MB of memory in use. ENERGY: 1730800 3925.2135 20487.6099 14448.9269 238.0366 -203830.9555 2799.4821 0.0000 0.0000 51971.0052 -109960.6812 298.6781 -161931.6864 -109594.1693 298.7154 109.1568 134.0473 763064.4978 20.3250 20.3884 PRESSURE: 1731000 287.312 107.452 127.976 107.453 367.135 -13.6711 127.976 -13.6711 274.827 GPRESSURE: 1731000 305.393 -12.197 -3.05793 172.951 380.923 -65.4805 129.669 59.6259 334.111 PRESSAVG: 1731000 -11.9581 17.7312 26.1439 17.7312 -11.8066 -1.46613 26.1439 -1.46624 6.21832 GPRESSAVG: 1731000 -9.98037 16.0603 24.9913 18.9194 -13.5388 0.0261803 25.859 -2.86482 5.78504 TIMING: 1731000 CPU: 5455.5, 0.00318819/step Wall: 5455.5, 0.00318819/step, 2.89506 hours remaining, 237.039062 MB of memory in use. ENERGY: 1731000 3970.2730 20469.2105 14421.6323 255.2312 -204056.2602 3108.1590 0.0000 0.0000 51975.8297 -109855.9244 298.7058 -161831.7541 -109497.2502 298.9261 309.7581 340.1425 761138.5429 -5.8488 -5.9114 PRESSURE: 1731200 30.2536 177.743 -60.9308 177.742 162.76 -247.796 -60.9312 -247.796 8.60049 GPRESSURE: 1731200 -24.7502 113.221 -107.769 45.2785 326.927 -119.038 -160.29 -281.073 -4.89817 PRESSAVG: 1731200 -30.4418 -37.0088 24.9494 -37.0088 -4.28528 -54.7616 24.9495 -54.7617 5.96528 GPRESSAVG: 1731200 -31.6402 -39.0046 25.1387 -36.2944 -2.98271 -55.1634 23.4267 -53.1422 5.96203 TIMING: 1731200 CPU: 5456.14, 0.00320221/step Wall: 5456.14, 0.00320221/step, 2.90761 hours remaining, 237.039062 MB of memory in use. ENERGY: 1731200 4008.8993 20557.1633 14453.2132 233.5191 -203200.8799 2557.4873 0.0000 0.0000 51826.8593 -109563.7385 297.8497 -161390.5978 -109201.3323 298.7874 67.2047 99.0927 762139.8628 -9.5873 -9.5536 PRESSURE: 1731400 -49.688 101.786 -163.629 101.786 325.744 -54.7587 -163.629 -54.7587 341.65 GPRESSURE: 1731400 107.426 13.2634 -95.0253 112.397 231.712 -63.7073 -38.3021 -76.9252 354.401 PRESSAVG: 1731400 -20.8501 -67.8103 -33.7424 -67.8103 -6.60811 -5.36635 -33.7423 -5.36645 -11.0389 GPRESSAVG: 1731400 -20.6077 -66.4079 -33.1418 -65.9276 -6.26045 -6.70304 -32.7163 -5.64911 -11.3071 TIMING: 1731400 CPU: 5456.77, 0.00315394/step Wall: 5456.77, 0.00315394/step, 2.8636 hours remaining, 237.039062 MB of memory in use. ENERGY: 1731400 3968.9049 20517.5825 14488.1621 237.5484 -203726.9987 2694.0069 0.0000 0.0000 52022.7640 -109798.0298 298.9755 -161820.7938 -109439.0086 299.1484 205.9019 231.1795 760777.7347 -12.8324 -12.7251 PRESSURE: 1731600 204.862 -221.102 0.149174 -221.102 48.8332 15.3843 0.14895 15.3836 448.843 GPRESSURE: 1731600 269.327 -71.2143 -4.38529 -180.681 81.7561 -43.1654 87.4932 33.7799 426.362 PRESSAVG: 1731600 49.5155 20.593 15.884 20.593 -11.8214 10.135 15.8841 10.135 1.11306 GPRESSAVG: 1731600 50.1859 22.7511 15.274 19.8146 -12.2391 9.75693 14.9334 11.1537 0.828668 TIMING: 1731600 CPU: 5457.42, 0.00321388/step Wall: 5457.42, 0.00321388/step, 2.91784 hours remaining, 237.039062 MB of memory in use. ENERGY: 1731600 4007.7939 20616.3975 14453.5532 247.2584 -203725.1865 2910.3437 0.0000 0.0000 51971.0069 -109518.8329 298.6781 -161489.8398 -109155.7874 299.4451 234.1793 259.1482 761926.5288 12.9357 12.9252 PRESSURE: 1731800 -284.188 192.975 -187.706 192.976 -262.782 -210.964 -187.706 -210.964 -112.394 GPRESSURE: 1731800 -236.954 283.617 -160.533 204.349 -155.214 -214.026 -251.035 -118.895 -187.643 PRESSAVG: 1731800 33.0064 -42.0516 -6.13537 -42.0516 -26.4248 7.05736 -6.13547 7.05732 -31.5632 GPRESSAVG: 1731800 31.8004 -41.4515 -8.20302 -40.9718 -25.4522 7.34673 -5.76666 7.30894 -31.3695 TIMING: 1731800 CPU: 5458.06, 0.00323893/step Wall: 5458.06, 0.00323892/step, 2.9404 hours remaining, 237.039062 MB of memory in use. ENERGY: 1731800 4036.9913 20717.3013 14439.7567 266.1699 -203541.1699 2410.3303 0.0000 0.0000 52035.9763 -109634.6439 299.0515 -161670.6202 -109274.8371 299.3944 -219.7877 -193.2701 762239.8570 -8.3272 -8.3404 PRESSURE: 1732000 -355.462 113.223 154.795 113.223 -66.6913 228.612 154.796 228.613 -134.758 GPRESSURE: 1732000 -255.44 -14.3368 78.5113 69.7901 -72.0578 185.427 255.658 77.3119 -147.751 PRESSAVG: 1732000 1.10306 18.6696 1.80463 18.6696 -1.14722 10.6954 1.80465 10.6955 14.2544 GPRESSAVG: 1732000 1.56678 14.9719 3.67937 17.0995 -1.04122 12.1839 2.9697 9.8957 14.0002 TIMING: 1732000 CPU: 5458.7, 0.00319524/step Wall: 5458.7, 0.00319524/step, 2.90057 hours remaining, 237.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1732000 4011.6101 20511.3292 14452.1142 254.7541 -202980.5005 2230.7840 0.0000 0.0000 51988.1914 -109531.7177 298.7769 -161519.9091 -109157.9333 299.1589 -185.6371 -158.4164 761459.4620 4.7368 4.8419 PRESSURE: 1732200 141.801 -73.4833 -123.647 -73.4837 -1.60422 -175.836 -123.647 -175.836 135.979 GPRESSURE: 1732200 204.861 -28.4723 -65.797 -171.867 43.7741 -86.044 -129.569 -177.939 117.425 PRESSAVG: 1732200 -22.286 0.729407 -26.9938 0.729451 -17.8325 -4.30954 -26.9937 -4.30953 0.0182026 GPRESSAVG: 1732200 -21.8445 2.51873 -27.3664 0.911571 -17.8046 -5.62926 -28.1983 -3.46891 0.298704 TIMING: 1732200 CPU: 5459.34, 0.00318951/step Wall: 5459.34, 0.00318951/step, 2.89519 hours remaining, 237.039062 MB of memory in use. ENERGY: 1732200 3940.6655 20732.9716 14405.6369 241.7242 -203363.9389 2393.4564 0.0000 0.0000 51998.7360 -109650.7481 298.8375 -161649.4842 -109288.5585 299.3177 92.0587 122.0199 759614.7223 -13.3668 -13.1168 LDB: ============= START OF LOAD BALANCING ============== 5471.74 LDB: ============== END OF LOAD BALANCING =============== 5471.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5471.75 LDB: ============= START OF LOAD BALANCING ============== 5472.07 LDB: Largest compute 7034 load 0.038077 is 19.4% of average load 0.196057 LDB: Average compute 0.004393 is 2.2% of average load 0.196057 LDB: TIME 5472.07 LOAD: AVG 0.196057 MAX 0.213415 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.812 MB LDB: TIME 5472.07 LOAD: AVG 0.196057 MAX 0.213415 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.812 MB LDB: TIME 5472.07 LOAD: AVG 0.196057 MAX 0.213415 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.812 MB LDB: ============== END OF LOAD BALANCING =============== 5472.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5472.08 PRESSURE: 1732400 -148.187 227.192 -82.6662 227.192 153.039 2.57963 -82.6657 2.57749 221.26 GPRESSURE: 1732400 -101.708 208.804 -33.267 132.34 242.248 24.0471 -119.594 104.449 175.044 PRESSAVG: 1732400 28.862 35.4315 -39.1598 35.4315 -25.087 0.417849 -39.1598 0.417853 -11.5156 GPRESSAVG: 1732400 29.3584 35.7551 -39.5274 34.3062 -25.2174 1.79729 -38.4279 0.31642 -11.2491 TIMING: 1732400 CPU: 5460, 0.00327334/step Wall: 5460, 0.00327334/step, 2.9711 hours remaining, 236.613281 MB of memory in use. ENERGY: 1732400 3954.4089 20542.9407 14457.2508 252.7917 -204236.1482 2958.4810 0.0000 0.0000 52275.2240 -109795.0510 300.4264 -162070.2750 -109423.5515 299.0861 75.3705 105.1946 758957.8927 -2.5802 -2.3694 PRESSURE: 1732600 291.072 -63.8432 -63.2839 -63.8429 50.4677 164.301 -63.2845 164.302 374.694 GPRESSURE: 1732600 336.372 16.39 -33.0481 -62.164 73.5998 70.7176 -81.525 227.053 393.718 PRESSAVG: 1732600 55.6998 -30.0902 1.04645 -30.0902 -11.5656 -16.8984 1.0465 -16.8985 23.671 GPRESSAVG: 1732600 53.6355 -30.3517 2.65567 -28.4225 -10.6042 -16.7568 -0.615178 -16.2762 23.7836 TIMING: 1732600 CPU: 5460.63, 0.00317961/step Wall: 5460.63, 0.00317961/step, 2.88585 hours remaining, 236.613281 MB of memory in use. ENERGY: 1732600 3897.3499 20662.6971 14494.8023 232.2628 -203537.6925 2477.9366 0.0000 0.0000 51992.9840 -109779.6598 298.8044 -161772.6438 -109407.7136 298.9763 238.7447 267.8966 759337.3662 22.6017 22.2716 PRESSURE: 1732800 -326.807 167.849 84.2981 167.85 -130.401 -76.2427 84.2983 -76.2412 -96.0977 GPRESSURE: 1732800 -328.551 126.506 132.003 56.5261 -101.019 -86.3995 77.6309 38.8141 -36.4416 PRESSAVG: 1732800 27.324 -26.4958 47.2958 -26.4958 0.146868 -0.671807 47.2958 -0.67187 -11.5241 GPRESSAVG: 1732800 29.3425 -25.0607 46.0424 -28.7095 -1.20593 -0.721122 48.7305 -1.83146 -12.1394 TIMING: 1732800 CPU: 5461.26, 0.00315605/step Wall: 5461.26, 0.00315605/step, 2.86429 hours remaining, 236.613281 MB of memory in use. ENERGY: 1732800 4037.0425 20603.2109 14462.9436 247.6384 -203406.9877 2499.5146 0.0000 0.0000 51934.9950 -109621.6427 298.4711 -161556.6377 -109267.9403 299.2967 -184.4352 -155.3371 760515.0832 5.3156 5.3324 PRESSURE: 1733000 61.2536 69.7398 42.4487 69.7401 67.0197 -14.6816 42.4485 -14.6822 -342.849 GPRESSURE: 1733000 61.3288 -41.9904 128.511 128.791 122.32 -114.375 157.937 -27.1428 -323.883 PRESSAVG: 1733000 0.142222 4.68177 27.7863 4.68176 29.5835 28.4065 27.7863 28.4065 18.1234 GPRESSAVG: 1733000 -0.0922085 2.55181 28.3812 6.53259 30.4947 28.8209 28.1599 27.2425 17.6475 TIMING: 1733000 CPU: 5461.89, 0.00315871/step Wall: 5461.89, 0.00315871/step, 2.86653 hours remaining, 236.613281 MB of memory in use. ENERGY: 1733000 3959.1736 20809.0627 14451.7123 247.0283 -203660.0373 2679.0767 0.0000 0.0000 52219.8255 -109294.1584 300.1081 -161513.9838 -108930.4061 300.0815 -71.5253 -46.7449 759422.4719 15.9497 16.0167 PRESSURE: 1733200 140.217 54.5937 1.14256 54.5935 9.00371 -3.99775 1.14155 -3.99626 119.412 GPRESSURE: 1733200 205.297 62.5232 75.5816 120.157 8.02444 21.6523 3.84695 38.581 150.568 PRESSAVG: 1733200 55.5248 -19.8872 -10.2477 -19.8873 -95.94 -11.6486 -10.2478 -11.6486 6.38383 GPRESSAVG: 1733200 57.8725 -18.8715 -10.9278 -21.7334 -98.414 -12.1656 -9.28324 -11.2036 6.90884 TIMING: 1733200 CPU: 5462.53, 0.00318983/step Wall: 5462.53, 0.00318983/step, 2.89459 hours remaining, 236.613281 MB of memory in use. ENERGY: 1733200 3951.7856 20719.4344 14425.3904 237.0909 -203109.6806 2209.8420 0.0000 0.0000 52153.2975 -109412.8398 299.7257 -161566.1373 -109048.9191 299.7011 89.5441 121.2967 759643.8917 -11.3438 -11.2109 PRESSURE: 1733400 -117.452 98.7234 20.3439 98.7245 -138.109 73.4567 20.3443 73.4572 -28.2486 GPRESSURE: 1733400 -101.661 125.953 -102.086 75.3358 -66.9841 42.0918 47.8471 78.1618 -30.0436 PRESSAVG: 1733400 49.7747 -18.1031 -0.238598 -18.1031 -12.3198 36.0773 -0.238647 36.0773 11.2827 GPRESSAVG: 1733400 47.7308 -16.7961 -1.7955 -17.4247 -10.4595 36.177 -1.37394 35.8891 11.4742 TIMING: 1733400 CPU: 5463.16, 0.00316257/step Wall: 5463.16, 0.00316257/step, 2.86968 hours remaining, 236.613281 MB of memory in use. ENERGY: 1733400 4025.3550 20706.2865 14447.7256 255.9951 -203461.4019 2449.5053 0.0000 0.0000 52357.4615 -109219.0729 300.8991 -161576.5344 -108848.9535 300.2461 -94.6032 -66.2296 759666.1979 16.2459 16.2485 PRESSURE: 1733600 -198.163 48.6347 -89.1289 48.6345 128.041 -8.98989 -89.1293 -8.99045 -350.821 GPRESSURE: 1733600 -220.221 -54.6678 -121.996 -23.3476 196.636 -38.9865 -64.1683 -45.7336 -312.075 PRESSAVG: 1733600 7.63465 -20.1908 7.20234 -20.1908 -36.2868 32.3402 7.20233 32.3401 -18.4584 GPRESSAVG: 1733600 7.13961 -19.6026 6.2766 -21.4953 -35.3795 32.1447 7.45107 32.735 -18.7626 TIMING: 1733600 CPU: 5463.8, 0.00318334/step Wall: 5463.8, 0.00318334/step, 2.88835 hours remaining, 236.613281 MB of memory in use. ENERGY: 1733600 4014.4519 20686.7220 14388.9214 241.1576 -203149.4309 2362.1069 0.0000 0.0000 52220.6414 -109235.4297 300.1127 -161456.0711 -108856.4163 300.4142 -140.3143 -111.8868 760292.3063 -15.7035 -15.6675 PRESSURE: 1733800 289.789 -227.675 -185.731 -227.676 29.608 191.4 -185.731 191.4 449.281 GPRESSURE: 1733800 232.108 -161.737 -165.205 -186.949 115.474 176.883 -185.769 234.083 495.145 PRESSAVG: 1733800 25.9105 -46.0931 -6.63747 -46.0932 -9.68116 25.1272 -6.63748 25.1272 4.73793 GPRESSAVG: 1733800 27.0255 -49.0698 -3.40579 -42.4899 -11.0412 25.7224 -6.96767 24.9505 5.6811 TIMING: 1733800 CPU: 5464.44, 0.00320625/step Wall: 5464.44, 0.00320625/step, 2.90896 hours remaining, 236.613281 MB of memory in use. ENERGY: 1733800 4041.6269 20664.9608 14452.2438 239.6888 -203203.5126 2628.5498 0.0000 0.0000 51923.4096 -109253.0328 298.4045 -161176.4424 -108887.4447 300.0047 256.2259 280.9092 761576.4801 6.9891 7.2218 PRESSURE: 1734000 12.5179 -88.5102 32.7091 -88.5105 -183.603 -47.3739 32.7081 -47.3727 -236.865 GPRESSURE: 1734000 -33.9566 -146.99 -12.4819 -106.71 -85.9732 -93.8679 1.49234 -51.8906 -203.62 PRESSAVG: 1734000 -10.4348 -78.2882 -14.08 -78.2882 11.8357 28.3345 -14.08 28.3345 1.40947 GPRESSAVG: 1734000 -10.7212 -76.3336 -13.9926 -80.4917 12.0133 26.0305 -13.4998 28.3145 0.776874 TIMING: 1734000 CPU: 5465.08, 0.00320861/step Wall: 5465.08, 0.00320861/step, 2.91092 hours remaining, 236.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1734000 4038.9612 20650.9752 14449.7421 255.7723 -202986.9935 2294.2802 0.0000 0.0000 52169.7502 -109127.5123 299.8203 -161297.2625 -108769.9868 300.0618 -135.9836 -107.8500 760590.8431 0.9368 0.6897 PRESSURE: 1734200 30.0546 -330.451 -64.7646 -330.45 -304.054 -222.892 -64.765 -222.892 -282.412 GPRESSURE: 1734200 8.16237 -301.647 -41.4 -290.248 -218.511 -103.221 -77.6075 -110.283 -232.267 PRESSAVG: 1734200 -19.3642 -30.6909 18.065 -30.6909 -43.9005 19.9786 18.065 19.9785 -12.8799 GPRESSAVG: 1734200 -18.5218 -30.1958 16.8732 -31.9606 -44.3953 20.7044 18.0311 21.2198 -13.0719 TIMING: 1734200 CPU: 5465.72, 0.00316598/step Wall: 5465.72, 0.00316598/step, 2.87207 hours remaining, 236.613281 MB of memory in use. ENERGY: 1734200 4013.5621 20665.6687 14438.3174 235.2661 -203140.2334 2508.9505 0.0000 0.0000 52285.6185 -108992.8501 300.4862 -161278.4686 -108628.0195 300.3078 -185.4705 -147.5386 761371.8928 -25.3815 -25.3297 PRESSURE: 1734400 304.379 92.8592 -148.317 92.8587 188.288 -86.6169 -148.317 -86.6168 156.786 GPRESSURE: 1734400 336.224 -151.342 -153.711 34.6198 195.971 -93.7706 0.978941 -115.241 194.203 PRESSAVG: 1734400 71.1628 -8.84973 -35.7614 -8.84979 -67.8371 -9.76962 -35.7614 -9.76965 -16.252 GPRESSAVG: 1734400 70.8382 -10.6641 -35.1072 -7.12737 -67.5246 -8.00982 -36.6842 -11.6977 -16.3788 TIMING: 1734400 CPU: 5466.35, 0.00317183/step Wall: 5466.35, 0.00317183/step, 2.8772 hours remaining, 236.613281 MB of memory in use. ENERGY: 1734400 3987.0452 20612.4780 14444.3183 241.8823 -203529.6951 2712.2649 0.0000 0.0000 52462.8088 -109068.8975 301.5045 -161531.7064 -108699.1331 300.3759 216.4843 242.1325 760653.5054 -4.3088 -4.3551 PRESSURE: 1734600 201.127 107.944 -92.5855 107.943 -423.173 7.01818 -92.5854 7.0187 89.7254 GPRESSURE: 1734600 219.684 33.9902 -129.261 53.7545 -344.018 -50.029 -36.8528 30.0487 62.4026 PRESSAVG: 1734600 82.3792 -17.9852 -0.831221 -17.9851 -53.0961 5.6481 -0.831208 5.64814 17.6868 GPRESSAVG: 1734600 80.7667 -17.4989 -1.94517 -21.1394 -52.0746 4.65968 2.29898 8.79364 17.805 TIMING: 1734600 CPU: 5466.99, 0.00317542/step Wall: 5466.99, 0.00317541/step, 2.88028 hours remaining, 236.613281 MB of memory in use. ENERGY: 1734600 3975.5836 20523.0618 14413.5789 245.8673 -203428.9013 2572.5275 0.0000 0.0000 52449.8338 -109248.4483 301.4299 -161698.2821 -108876.4003 300.2037 -44.1071 -20.6438 761899.5184 15.6566 15.4990 PRESSURE: 1734800 179.773 -22.6813 -378.943 -22.6822 170.301 95.0037 -378.942 95.0034 -487.311 GPRESSURE: 1734800 187.233 -84.6413 -369.138 15.014 168.943 85.9637 -305.98 22.7423 -401.375 PRESSAVG: 1734800 62.7463 16.8609 -16.023 16.8609 0.191497 -52.7829 -16.023 -52.783 -8.30424 GPRESSAVG: 1734800 63.5491 18.9015 -14.1436 18.6714 -0.708884 -52.8406 -19.2993 -53.7388 -8.25984 TIMING: 1734800 CPU: 5467.62, 0.00316534/step Wall: 5467.62, 0.00316534/step, 2.87096 hours remaining, 236.613281 MB of memory in use. ENERGY: 1734800 4020.3146 20634.0441 14515.7565 254.7901 -203160.0000 2485.8905 0.0000 0.0000 51951.3436 -109297.8605 298.5651 -161249.2041 -108934.2679 299.5105 -45.7458 -15.0664 761795.8822 18.2112 18.1935 PRESSURE: 1735000 -85.3911 -104.409 187.552 -104.41 22.9583 -91.919 187.552 -91.92 34.3259 GPRESSURE: 1735000 -3.41548 -33.3695 98.3186 -125.926 35.3942 -87.7142 192.629 -56.0798 48.1965 PRESSAVG: 1735000 4.32799 19.4609 14.4747 19.4609 22.2812 -28.5595 14.4747 -28.5595 11.2892 GPRESSAVG: 1735000 4.31711 18.8748 11.8179 19.9372 22.4149 -27.7981 17.2082 -29.1231 11.2107 TIMING: 1735000 CPU: 5468.26, 0.00319989/step Wall: 5468.26, 0.00319989/step, 2.90212 hours remaining, 236.613281 MB of memory in use. ENERGY: 1735000 4028.0967 20648.6403 14423.6165 241.8344 -203267.4574 2655.2806 0.0000 0.0000 52236.5804 -109033.4085 300.2043 -161269.9889 -108676.7972 299.4590 -9.3690 26.7251 762263.1667 12.6328 12.6476 PRESSURE: 1735200 -142.091 21.8013 -196.08 21.8023 313.155 46.7534 -196.081 46.7538 -16.2385 GPRESSURE: 1735200 -67.8877 79.8529 -150.747 1.70881 222.629 -32.3675 -244.027 186.521 75.9462 PRESSAVG: 1735200 1.11081 29.1288 -7.70567 29.1288 37.9766 -33.4275 -7.70566 -33.4275 -7.07014 GPRESSAVG: 1735200 2.19716 28.1143 -6.29525 27.7374 37.4555 -34.129 -6.76819 -31.7574 -7.02816 TIMING: 1735200 CPU: 5468.89, 0.00316136/step Wall: 5468.89, 0.00316136/step, 2.867 hours remaining, 236.613281 MB of memory in use. ENERGY: 1735200 3997.2244 20746.5508 14500.2684 229.5212 -203615.1914 2855.8259 0.0000 0.0000 52152.8776 -109132.9232 299.7233 -161285.8008 -108776.4393 300.2469 51.6085 76.8959 761410.9799 10.6724 10.8748 PRESSURE: 1735400 -165.082 -107.973 -0.809904 -107.973 -60.7007 -68.5622 -0.809965 -68.5617 353.116 GPRESSURE: 1735400 -93.9806 -115.225 -5.73182 -114.646 -5.76217 -142.113 92.2611 16.5535 299.073 PRESSAVG: 1735400 13.6009 37.8321 -4.68932 37.8321 -10.3211 28.6347 -4.68933 28.6348 15.7743 GPRESSAVG: 1735400 14.0653 36.4314 -3.84463 38.5357 -10.9999 29.1739 -7.98105 28.3643 15.7359 TIMING: 1735400 CPU: 5469.53, 0.00316966/step Wall: 5469.53, 0.00316966/step, 2.87436 hours remaining, 236.613281 MB of memory in use. ENERGY: 1735400 4026.0428 20507.7837 14513.6736 269.9002 -203365.6744 2559.3399 0.0000 0.0000 52267.4750 -109221.4593 300.3819 -161488.9343 -108848.1871 299.9680 42.4443 66.4435 761607.4218 6.3514 6.2671 PRESSURE: 1735600 345.145 105.613 230.223 105.613 143.235 -181.436 230.223 -181.436 572.11 GPRESSURE: 1735600 308.82 57.8326 255.015 7.24514 219.975 -221.394 252.683 -261.063 609.941 PRESSAVG: 1735600 54.7825 -42.1071 24.6207 -42.107 -26.9482 -14.0801 24.6208 -14.0802 12.1539 GPRESSAVG: 1735600 52.4476 -41.7711 23.8184 -41.9023 -25.0806 -14.6073 25.0493 -15.1567 12.4527 TIMING: 1735600 CPU: 5470.16, 0.00315748/step Wall: 5470.16, 0.00315748/step, 2.86314 hours remaining, 236.613281 MB of memory in use. ENERGY: 1735600 3886.6439 20539.0561 14407.6893 241.5848 -203678.9071 2786.4420 0.0000 0.0000 52251.1932 -109566.2977 300.2883 -161817.4910 -109187.7018 299.6214 353.4964 379.5788 761319.9603 13.3294 13.2732 PRESSURE: 1735800 164.532 -115.009 14.0117 -115.01 40.4588 -308.875 14.0117 -308.875 49.1072 GPRESSURE: 1735800 290.085 -34.8625 134.11 6.21899 95.6084 -272.887 -95.0464 -291.584 -52.5621 PRESSAVG: 1735800 -1.47864 -14.7012 -11.4392 -14.7012 -7.62121 -33.9018 -11.4392 -33.9018 -9.6481 GPRESSAVG: 1735800 -1.44554 -13.8493 -9.69908 -15.2109 -7.31017 -34.4977 -11.8885 -34.9572 -9.98305 TIMING: 1735800 CPU: 5470.79, 0.00315156/step Wall: 5470.79, 0.00315156/step, 2.85759 hours remaining, 236.613281 MB of memory in use. ENERGY: 1735800 4007.1540 20652.4466 14513.2960 249.9806 -203470.5171 2654.2099 0.0000 0.0000 51969.7131 -109423.7169 298.6707 -161393.4300 -109058.6461 299.3281 84.6992 111.0437 762574.9799 -6.2493 -6.2463 PRESSURE: 1736000 214.603 -31.4904 -72.179 -31.4905 125.537 59.806 -72.1794 59.8069 128.849 GPRESSURE: 1736000 310.625 -29.6894 -12.4341 -72.1819 83.4412 143.21 -23.0641 -24.281 174.747 PRESSAVG: 1736000 15.2868 3.18496 -1.24246 3.18499 -19.5975 22.0496 -1.2424 22.0496 -28.6096 GPRESSAVG: 1736000 14.9983 4.2445 -1.85557 5.24276 -20.1123 23.3621 -1.94735 23.2977 -27.4439 TIMING: 1736000 CPU: 5471.42, 0.00317782/step Wall: 5471.42, 0.00317782/step, 2.88123 hours remaining, 236.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1736000 4029.7389 20651.3450 14486.2474 244.6492 -203659.3970 2745.5152 0.0000 0.0000 52217.0859 -109284.8155 300.0923 -161501.9014 -108919.9328 300.0532 156.3297 189.6044 762119.9522 -10.9735 -10.8526 PRESSURE: 1736200 -13.5851 -64.2614 39.4793 -64.261 257.897 -15.1173 39.4789 -15.1176 -74.0363 GPRESSURE: 1736200 26.8721 -114.128 -11.5703 -82.8089 260.282 22.2094 92.4913 -147.843 -14.4977 PRESSAVG: 1736200 0.530189 16.2823 35.0283 16.2823 -8.69758 -39.3871 35.0283 -39.387 33.8913 GPRESSAVG: 1736200 2.8815 16.4007 32.692 13.748 -10.9528 -39.8581 36.7457 -40.5572 34.6437 TIMING: 1736200 CPU: 5472.06, 0.00317521/step Wall: 5472.06, 0.00317521/step, 2.87868 hours remaining, 236.613281 MB of memory in use. ENERGY: 1736200 4020.4867 20637.5619 14452.9427 262.8184 -203802.1161 2801.1618 0.0000 0.0000 52308.5910 -109318.5535 300.6182 -161627.1446 -108954.9992 299.8856 56.7585 90.8853 763489.2218 8.5746 8.8575 LDB: ============= START OF LOAD BALANCING ============== 5484.46 LDB: ============== END OF LOAD BALANCING =============== 5484.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5484.46 LDB: ============= START OF LOAD BALANCING ============== 5484.77 LDB: Largest compute 7034 load 0.034530 is 17.6% of average load 0.195938 LDB: Average compute 0.004407 is 2.2% of average load 0.195938 LDB: TIME 5484.77 LOAD: AVG 0.195938 MAX 0.213584 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.406 MB LDB: TIME 5484.78 LOAD: AVG 0.195938 MAX 0.213584 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.445 MB LDB: TIME 5484.78 LOAD: AVG 0.195938 MAX 0.213584 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.445 MB LDB: ============== END OF LOAD BALANCING =============== 5484.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5484.78 PRESSURE: 1736400 67.6652 102.153 -136.851 102.154 -264.168 4.07332 -136.852 4.07359 -584.359 GPRESSURE: 1736400 24.9092 39.3029 -182.768 115.828 -220.334 6.88108 -148.735 -35.6461 -504.347 PRESSAVG: 1736400 7.17159 48.5281 25.9321 48.5281 -37.021 -6.53851 25.9321 -6.53856 -0.440488 GPRESSAVG: 1736400 6.49951 47.3038 26.099 50.4187 -34.9248 -5.53525 28.7391 -4.48389 -1.55703 TIMING: 1736400 CPU: 5472.7, 0.00320526/step Wall: 5472.7, 0.00320526/step, 2.90574 hours remaining, 237.898438 MB of memory in use. ENERGY: 1736400 4010.2908 20596.1185 14437.6853 261.5145 -202833.2744 2212.4840 0.0000 0.0000 52095.9016 -109219.2798 299.3959 -161315.1814 -108846.8191 299.5815 -260.2871 -233.2572 763875.6852 -10.0966 -9.9941 PRESSURE: 1736600 42.7584 -99.5162 63.4082 -99.5167 -18.1056 -222.389 63.4087 -222.391 230.462 GPRESSURE: 1736600 113.227 -10.7717 141.979 -27.2786 44.6512 -235.767 60.0614 -172.725 188.772 PRESSAVG: 1736600 -40.7372 56.0078 25.7796 56.0078 45.0985 -9.37446 25.7796 -9.3745 -9.92471 GPRESSAVG: 1736600 -40.3339 55.9756 28.8617 55.3156 45.2944 -9.60655 21.0085 -10.0679 -10.9245 TIMING: 1736600 CPU: 5473.33, 0.00315186/step Wall: 5473.33, 0.00315186/step, 2.85716 hours remaining, 238.101562 MB of memory in use. ENERGY: 1736600 4017.2791 20553.7155 14480.5923 254.8968 -203314.9445 2794.1658 0.0000 0.0000 51933.4109 -109280.8841 298.4620 -161214.2949 -108923.1597 299.5348 85.0382 115.5502 761254.9096 -1.8545 -1.9880 PRESSURE: 1736800 417.437 147.144 -149.388 147.143 -308.669 -105.572 -149.388 -105.572 -7.86753 GPRESSURE: 1736800 306.034 -2.13432 -192.388 119.017 -181.005 -3.08657 -134.468 -169.516 47.8513 PRESSAVG: 1736800 33.0137 -10.4179 21.1994 -10.418 -26.311 -4.31042 21.1995 -4.31038 -17.1393 GPRESSAVG: 1736800 31.5725 -11.4086 19.9645 -10.733 -26.1641 -3.47977 24.1374 -5.47544 -15.9551 TIMING: 1736800 CPU: 5473.96, 0.00315402/step Wall: 5473.96, 0.00315402/step, 2.85894 hours remaining, 238.101562 MB of memory in use. ENERGY: 1736800 3928.4968 20461.6109 14419.7729 240.7536 -203142.1422 2594.1132 0.0000 0.0000 52337.0422 -109160.3527 300.7817 -161497.3949 -108805.0183 299.4752 33.6334 57.6267 761944.6732 -3.4789 -3.5156 PRESSURE: 1737000 -155.493 27.7735 169.901 27.773 121.62 -62.5501 169.901 -62.5502 -342.239 GPRESSURE: 1737000 -59.5623 32.101 205.815 -10.9604 96.5366 -103.091 57.7627 -46.0895 -332.901 PRESSAVG: 1737000 7.60062 29.3401 33.5196 29.3401 -33.7847 -60.2492 33.5196 -60.2493 -1.55693 GPRESSAVG: 1737000 7.33673 29.354 31.9455 28.2904 -33.7409 -59.5775 32.8385 -60.5769 -1.3763 TIMING: 1737000 CPU: 5474.59, 0.00314252/step Wall: 5474.59, 0.00314252/step, 2.84835 hours remaining, 238.101562 MB of memory in use. ENERGY: 1737000 4040.0801 20474.1940 14455.6537 236.4348 -202905.9181 2437.5462 0.0000 0.0000 52119.0813 -109142.9280 299.5291 -161262.0093 -108776.2669 300.0613 -125.3711 -98.6422 762078.3766 -9.2470 -9.2602 PRESSURE: 1737200 -53.6913 96.926 -111.109 96.9264 -231.502 86.5436 -111.108 86.5429 -237.706 GPRESSURE: 1737200 -111.508 198.495 -64.0134 122.446 -218.216 39.7466 -175.093 107.459 -127.772 PRESSAVG: 1737200 12.1703 5.16626 15.5184 5.16626 -9.66643 33.0551 15.5184 33.0552 22.3111 GPRESSAVG: 1737200 12.3054 7.42194 16.4427 5.64611 -10.9457 33.1932 16.1641 32.4833 23.2327 TIMING: 1737200 CPU: 5475.22, 0.00314167/step Wall: 5475.22, 0.00314167/step, 2.8474 hours remaining, 238.101562 MB of memory in use. ENERGY: 1737200 4000.9739 20624.6132 14482.1453 262.7575 -203014.5846 2270.8122 0.0000 0.0000 52218.1008 -109155.1817 300.0981 -161373.2825 -108785.3128 300.0979 -174.2998 -152.4990 760368.2499 8.2717 8.1975 PRESSURE: 1737400 69.5754 155.898 -293.894 155.898 108.352 -70.6427 -293.894 -70.6426 306.472 GPRESSURE: 1737400 6.95535 23.9696 -257.779 99.9059 211.202 -84.6732 -300.553 67.0884 326.947 PRESSAVG: 1737400 -5.53105 -4.61652 -3.48571 -4.61648 23.1821 10.3091 -3.48575 10.309 -6.2677 GPRESSAVG: 1737400 -6.38576 -6.21994 -4.33852 -3.50871 23.4709 8.41989 -3.40238 10.417 -6.19824 TIMING: 1737400 CPU: 5475.85, 0.00318037/step Wall: 5475.85, 0.00318037/step, 2.8823 hours remaining, 238.101562 MB of memory in use. ENERGY: 1737400 3919.6726 20580.0386 14377.6592 253.7083 -202986.6510 2364.6311 0.0000 0.0000 52097.9393 -109393.0019 299.4076 -161490.9412 -109032.7835 299.5268 161.4663 181.7014 761750.9798 3.7944 3.6290 PRESSURE: 1737600 -190.838 -180.833 141.644 -180.833 -13.7235 -76.6477 141.644 -76.6475 -140.916 GPRESSURE: 1737600 -72.0372 -123.478 123.922 -140.645 -20.1884 -43.9883 165.068 58.8462 -164.015 PRESSAVG: 1737600 -71.4414 -11.2278 -35.0888 -11.2278 52.7017 39.1961 -35.0887 39.1961 7.50019 GPRESSAVG: 1737600 -69.1138 -12.3254 -33.3575 -11.4911 52.8365 38.3416 -35.4431 40.2359 4.98947 TIMING: 1737600 CPU: 5476.48, 0.00314909/step Wall: 5476.48, 0.00314909/step, 2.85378 hours remaining, 238.101562 MB of memory in use. ENERGY: 1737600 4052.8054 20674.9622 14488.3381 260.5368 -203426.8070 2484.6375 0.0000 0.0000 52089.3983 -109376.1288 299.3585 -161465.5270 -109014.8290 299.3621 -115.1594 -85.4137 761486.9694 -3.7465 -3.7626 PRESSURE: 1737800 -21.1434 -142.516 -125.816 -142.516 42.9754 155.906 -125.816 155.906 246.986 GPRESSURE: 1737800 56.6362 -195.759 -170.344 -194.776 94.6577 228.585 -154.219 156.195 201.826 PRESSAVG: 1737800 -31.8678 -23.7024 -30.0263 -23.7023 17.7781 27.3225 -30.0263 27.3225 -19.3961 GPRESSAVG: 1737800 -32.6518 -22.1506 -31.3367 -24.6973 17.8372 28.5739 -28.5794 27.0321 -18.0886 TIMING: 1737800 CPU: 5477.12, 0.00317742/step Wall: 5477.12, 0.00317742/step, 2.87927 hours remaining, 238.101562 MB of memory in use. ENERGY: 1737800 3929.5804 20478.0667 14436.6262 250.2722 -203250.0207 2544.4009 0.0000 0.0000 52093.1343 -109517.9401 299.3800 -161611.0743 -109153.6459 299.3505 89.6058 117.7067 760906.3061 -11.1619 -10.9677 PRESSURE: 1738000 188.658 -69.6239 31.2155 -69.6248 -61.1946 22.5415 31.2166 22.5412 -238.698 GPRESSURE: 1738000 179.104 -38.4416 38.5233 53.6686 -25.6194 14.9554 -8.36123 -20.8726 -167.392 PRESSAVG: 1738000 -12.9621 19.7359 50.8157 19.7359 32.3425 22.6053 50.8158 22.6052 -3.98787 GPRESSAVG: 1738000 -12.9767 19.9791 52.6958 19.5706 32.3493 22.8923 47.253 20.3439 -3.5411 TIMING: 1738000 CPU: 5477.75, 0.00315843/step Wall: 5477.75, 0.00315843/step, 2.86189 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1738000 3961.5271 20487.0460 14451.4054 231.1864 -202957.6516 2264.4707 0.0000 0.0000 52230.8113 -109331.2047 300.1712 -161562.0160 -108964.7609 299.3062 -37.0780 -4.6357 760630.1983 5.1308 5.2772 PRESSURE: 1738200 -74.4983 14.73 64.2223 14.7303 -345.152 -243.335 64.222 -243.337 -327.45 GPRESSURE: 1738200 -36.9778 95.3447 25.6381 -136.599 -299.395 -300.694 93.6906 -279.882 -323.444 PRESSAVG: 1738200 3.65739 14.8851 26.8353 14.8852 -21.264 -72.9424 26.8353 -72.9425 15.9908 GPRESSAVG: 1738200 2.70013 15.8932 25.8582 13.2623 -21.6446 -72.8834 29.6348 -70.8552 17.0104 TIMING: 1738200 CPU: 5478.38, 0.00316602/step Wall: 5478.38, 0.00316602/step, 2.86859 hours remaining, 238.101562 MB of memory in use. ENERGY: 1738200 4037.8470 20446.5994 14481.4910 259.7202 -203235.3688 2430.6749 0.0000 0.0000 52208.9475 -109370.0888 300.0455 -161579.0363 -109002.6445 299.2377 -249.0334 -219.9389 761840.9519 -0.5386 -0.6447 PRESSURE: 1738400 479.077 -173.728 138.011 -173.728 307.645 49.9703 138.01 49.9706 76.6522 GPRESSURE: 1738400 484.005 -199.467 79.389 -116.165 374.448 73.4037 154.989 74.88 106.548 PRESSAVG: 1738400 7.32391 -9.96506 -13.6015 -9.96505 4.35488 -1.03869 -13.6015 -1.03881 5.65455 GPRESSAVG: 1738400 8.10455 -14.4142 -12.5568 -6.54907 5.28933 -3.26406 -15.3602 -0.560148 3.66655 TIMING: 1738400 CPU: 5479.03, 0.00320685/step Wall: 5479.03, 0.00320685/step, 2.90541 hours remaining, 238.101562 MB of memory in use. ENERGY: 1738400 3867.2559 20441.6465 14429.0461 263.0664 -203042.4251 2609.9946 0.0000 0.0000 51960.9298 -109470.4859 298.6202 -161431.4156 -109102.0545 299.2512 287.7916 321.6668 758477.5159 5.7778 5.6868 PRESSURE: 1738600 22.5569 -69.4552 -32.3759 -69.4559 96.1046 120.978 -32.3752 120.978 -189.593 GPRESSURE: 1738600 81.0568 -113.921 -179.09 -226.882 -5.26504 27.5448 -6.8895 132.526 -78.35 PRESSAVG: 1738600 -24.8117 -52.9412 -18.7221 -52.9412 27.369 -6.34146 -18.7221 -6.34141 36.9123 GPRESSAVG: 1738600 -25.8897 -50.4122 -19.4373 -56.4472 27.2389 -5.71781 -17.3284 -6.88078 38.1296 TIMING: 1738600 CPU: 5479.67, 0.00321974/step Wall: 5479.67, 0.00321974/step, 2.9169 hours remaining, 238.101562 MB of memory in use. ENERGY: 1738600 3907.4821 20413.6414 14460.2478 248.5702 -203008.2104 2364.3981 0.0000 0.0000 52145.1055 -109468.7653 299.6786 -161613.8708 -109098.5450 298.7808 -23.6439 -0.8527 760738.7111 13.1565 13.1596 PRESSURE: 1738800 220.003 62.3742 209.863 62.3745 322.924 -171.887 209.862 -171.886 34.2799 GPRESSURE: 1738800 326.068 142.574 187.584 -82.6203 376.745 -124.506 177.702 -95.4339 -29.2226 PRESSAVG: 1738800 9.46538 -0.582129 11.7038 -0.582132 41.1092 32.0736 11.7038 32.0736 -2.13662 GPRESSAVG: 1738800 10.6686 0.0497609 11.1413 0.774397 39.9093 33.1503 13.9858 33.0717 -2.84866 TIMING: 1738800 CPU: 5480.31, 0.00320446/step Wall: 5480.31, 0.00320446/step, 2.90288 hours remaining, 238.101562 MB of memory in use. ENERGY: 1738800 3928.2631 20423.6909 14444.3976 238.5229 -203557.6087 2858.0173 0.0000 0.0000 52012.1597 -109652.5573 298.9146 -161664.7169 -109289.6456 298.4522 192.4023 224.5300 759885.7910 16.1460 15.9097 PRESSURE: 1739000 -206.1 16.0127 -266.623 16.0123 31.0249 30.3064 -266.623 30.3054 112.093 GPRESSURE: 1739000 -195.51 81.3851 -309.636 19.4253 98.2251 -3.74172 -157.815 152.77 112.084 PRESSAVG: 1739000 -14.6334 4.31793 47.3228 4.31789 -1.48763 9.66834 47.3227 9.66833 1.70618 GPRESSAVG: 1739000 -14.1373 3.30148 47.9104 5.99702 -2.12665 8.123 45.2089 10.1038 1.52823 TIMING: 1739000 CPU: 5480.95, 0.00317774/step Wall: 5480.95, 0.00317774/step, 2.8785 hours remaining, 238.101562 MB of memory in use. ENERGY: 1739000 3983.8169 20461.0506 14414.8034 245.4612 -202942.3391 2477.4769 0.0000 0.0000 51795.9972 -109563.7330 297.6723 -161359.7302 -109206.0888 298.5987 -20.9938 4.9331 760353.8080 -4.8050 -4.9119 PRESSURE: 1739200 -73.8244 155.936 333.648 155.937 -132.752 224.713 333.648 224.712 14.5634 GPRESSURE: 1739200 -64.6229 287.168 353.596 92.39 -54.7283 214.272 270.067 249.209 12.7445 PRESSAVG: 1739200 -8.11482 5.69606 36.3419 5.69599 17.2149 -9.17433 36.3418 -9.17435 9.57125 GPRESSAVG: 1739200 -8.51056 7.18722 36.483 3.62479 18.4824 -7.82628 36.9163 -10.8296 8.64986 TIMING: 1739200 CPU: 5481.57, 0.00314412/step Wall: 5481.57, 0.00314412/step, 2.84787 hours remaining, 238.101562 MB of memory in use. ENERGY: 1739200 3954.5557 20412.6377 14441.2369 258.8693 -202922.4605 2409.2762 0.0000 0.0000 52044.2365 -109401.6482 299.0989 -161445.8848 -109034.3026 299.2181 -64.0043 -35.5356 760095.1962 6.2238 6.2072 PRESSURE: 1739400 -234.152 29.2451 138.849 29.2453 21.6099 67.8869 138.848 67.8876 443.58 GPRESSURE: 1739400 -234.908 116.61 135.861 86.3058 80.5854 -11.0559 34.0489 10.456 462.202 PRESSAVG: 1739400 10.4819 15.5551 41.3277 15.5551 23.3994 45.1835 41.3277 45.1835 -0.945256 GPRESSAVG: 1739400 9.74949 15.7741 41.3319 15.926 23.0357 44.9702 39.8389 45.2665 0.356719 TIMING: 1739400 CPU: 5482.2, 0.0031421/step Wall: 5482.2, 0.0031421/step, 2.84587 hours remaining, 238.101562 MB of memory in use. ENERGY: 1739400 4008.7868 20559.8178 14472.4946 224.9692 -203047.3095 2429.3788 0.0000 0.0000 52102.9004 -109248.9620 299.4361 -161351.8624 -108893.4049 299.4161 77.0126 102.6265 762160.4161 10.9787 11.0473 PRESSURE: 1739600 -364.011 -103.376 3.47325 -103.376 304.306 -38.9369 3.47398 -38.937 -77.7818 GPRESSURE: 1739600 -270.128 -148.155 -74.9282 -84.9376 262.948 -93.1784 63.7008 14.6095 -45.7944 PRESSAVG: 1739600 -24.8683 -17.228 -15.1209 -17.2279 -10.5013 12.5824 -15.1209 12.5823 30.6216 GPRESSAVG: 1739600 -24.7381 -18.2262 -15.5519 -14.9388 -10.576 12.4422 -13.5635 12.8929 30.6624 TIMING: 1739600 CPU: 5482.84, 0.00318424/step Wall: 5482.84, 0.00318424/step, 2.88386 hours remaining, 238.101562 MB of memory in use. ENERGY: 1739600 4001.2363 20439.3753 14534.1913 257.8916 -203196.2673 2453.2115 0.0000 0.0000 52178.3853 -109331.9761 299.8699 -161510.3613 -108964.8887 299.6819 -45.8288 -17.6582 760134.8636 -1.5827 -1.5506 PRESSURE: 1739800 -291.711 37.7108 101.316 37.7087 -296.155 173.792 101.316 173.793 -78.1714 GPRESSURE: 1739800 -191.957 -176.839 81.9043 -45.6431 -315.216 129.604 37.4652 162.922 -85.1921 PRESSAVG: 1739800 -6.37171 13.1429 4.92602 13.1429 43.1789 0.720686 4.92605 0.720765 13.8879 GPRESSAVG: 1739800 -4.97172 13.7482 5.2978 9.42742 42.748 2.41752 4.17663 -1.44855 12.8403 TIMING: 1739800 CPU: 5483.48, 0.00320632/step Wall: 5483.48, 0.00320632/step, 2.90368 hours remaining, 238.101562 MB of memory in use. ENERGY: 1739800 3941.0834 20331.1717 14498.1035 245.4064 -202970.8822 2184.5393 0.0000 0.0000 52590.6150 -109179.9629 302.2390 -161770.5779 -108809.3479 299.7894 -222.0123 -197.4552 761216.5302 16.8984 16.8722 PRESSURE: 1740000 -206.378 77.5852 -116.148 77.5847 -189.196 74.4344 -116.148 74.4351 -125.456 GPRESSURE: 1740000 -140.302 105.448 -99.0681 209.005 -218.322 56.4927 -115.456 -102.173 -81.9489 PRESSAVG: 1740000 20.1393 -1.38816 19.9494 -1.38816 1.60841 26.7344 19.9493 26.7344 7.85278 GPRESSAVG: 1740000 20.5848 -1.1753 19.3353 1.01668 1.26463 25.349 18.7702 26.3729 8.0137 TIMING: 1740000 CPU: 5484.11, 0.0031621/step Wall: 5484.11, 0.0031621/step, 2.86345 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1740000 3860.7948 20513.9786 14508.2467 253.6761 -202737.3246 2273.5570 0.0000 0.0000 52212.6229 -109114.4485 300.0667 -161327.0714 -108758.4691 300.0301 -173.6769 -146.8578 760386.2385 9.8668 9.9544 PRESSURE: 1740200 -94.3986 30.6593 11.6659 30.6596 149.338 -40.5581 11.6664 -40.5579 126.793 GPRESSURE: 1740200 -155.476 35.1353 2.50497 51.3608 245.102 -26.1453 -31.1027 -97.6851 171.715 PRESSAVG: 1740200 4.90659 -15.9387 48.7835 -15.9386 20.5416 28.6724 48.7835 28.6725 11.9217 GPRESSAVG: 1740200 4.12182 -16.0519 49.8335 -18.3699 21.0035 28.2689 49.8436 30.8057 12.4851 TIMING: 1740200 CPU: 5484.74, 0.00315869/step Wall: 5484.74, 0.00315869/step, 2.86019 hours remaining, 238.101562 MB of memory in use. ENERGY: 1740200 3975.3386 20538.5252 14450.9249 246.7187 -203185.8322 2608.2781 0.0000 0.0000 52023.5305 -109342.5162 298.9799 -161366.0467 -108985.3830 299.7518 60.5774 87.1135 760264.3243 12.4566 12.5368 LDB: ============= START OF LOAD BALANCING ============== 5497.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5497.14 LDB: =============== DONE WITH MIGRATION ================ 5497.14 LDB: ============= START OF LOAD BALANCING ============== 5497.46 LDB: Largest compute 7062 load 0.032679 is 16.7% of average load 0.195925 LDB: Average compute 0.004384 is 2.2% of average load 0.195925 LDB: TIME 5497.47 LOAD: AVG 0.195925 MAX 0.215542 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 5497.47 LOAD: AVG 0.195925 MAX 0.215542 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 5497.47 LOAD: AVG 0.195925 MAX 0.215542 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 5497.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5497.47 PRESSURE: 1740400 226.449 -43.4545 -101.038 -43.4543 184.52 -2.18101 -101.037 -2.18116 170.762 GPRESSURE: 1740400 324.487 -0.855498 -171.691 7.04266 178.249 109.169 -137.9 -10.2226 174.935 PRESSAVG: 1740400 20.0312 26.1227 12.7401 26.1227 -18.9359 -33.1972 12.74 -33.1972 -31.1804 GPRESSAVG: 1740400 20.5705 26.6917 11.2147 27.5919 -18.1106 -33.1023 13.2684 -33.5905 -31.6138 TIMING: 1740400 CPU: 5485.39, 0.00323428/step Wall: 5485.39, 0.00323428/step, 2.92846 hours remaining, 238.156250 MB of memory in use. ENERGY: 1740400 4040.4267 20423.3472 14430.7653 258.4480 -203609.1393 2783.5446 0.0000 0.0000 52161.0658 -109511.5418 299.7704 -161672.6075 -109152.5679 299.4208 193.9100 225.8900 760700.5137 -10.0284 -9.7180 PRESSURE: 1740600 -321.998 250.524 -57.0882 250.525 -96.7195 -46.8314 -57.0876 -46.8307 -203.253 GPRESSURE: 1740600 -276.698 217.508 -77.9112 241.855 -94.4565 9.87895 -20.0987 -114.597 -186.933 PRESSAVG: 1740600 19.2689 27.9651 18.7017 27.965 -26.1991 -20.0957 18.7017 -20.0957 -2.12725 GPRESSAVG: 1740600 18.5285 26.1914 18.3711 27.3809 -27.1083 -18.0527 18.6827 -20.9681 -0.883155 TIMING: 1740600 CPU: 5486.02, 0.00315126/step Wall: 5486.02, 0.00315126/step, 2.85312 hours remaining, 238.156250 MB of memory in use. ENERGY: 1740600 4006.2221 20593.2239 14557.2412 265.9880 -203487.3386 2597.4775 0.0000 0.0000 52184.4827 -109282.7033 299.9049 -161467.1860 -108927.1016 299.4951 -207.3234 -186.0291 762053.6474 -3.0192 -3.1543 PRESSURE: 1740800 201.476 22.5366 86.3608 22.5362 33.2675 -99.431 86.3601 -99.4318 102.925 GPRESSURE: 1740800 185.801 -36.8639 139.778 33.9368 78.2505 -100.631 27.211 29.7156 156.119 PRESSAVG: 1740800 14.6277 -47.2538 31.6376 -47.2537 4.36685 4.6244 31.6375 4.62439 5.1473 GPRESSAVG: 1740800 14.5745 -47.3001 32.1346 -47.3985 4.83346 4.0112 32.0976 5.22823 4.99029 TIMING: 1740800 CPU: 5486.65, 0.00316107/step Wall: 5486.65, 0.00316107/step, 2.86182 hours remaining, 238.156250 MB of memory in use. ENERGY: 1740800 3953.4146 20544.6431 14500.2658 233.3677 -203457.0067 2762.5104 0.0000 0.0000 52053.7280 -109409.0770 299.1535 -161462.8051 -109045.3451 299.1636 112.5562 140.0570 761358.0380 8.0473 8.1327 PRESSURE: 1741000 -65.6582 -318.636 -5.29874 -318.636 69.5021 190.261 -5.29854 190.262 135.654 GPRESSURE: 1741000 -31.5937 -107.534 59.1521 -326.247 36.9367 173.751 -11.2434 189.578 222.5 PRESSAVG: 1741000 -33.5116 -72.8508 30.935 -72.8508 -4.93479 59.9227 30.935 59.9227 -4.14883 GPRESSAVG: 1741000 -33.8769 -71.1377 30.8659 -71.1408 -5.48669 58.6503 30.3867 60.7129 -2.35287 TIMING: 1741000 CPU: 5487.29, 0.00315866/step Wall: 5487.29, 0.00315866/step, 2.85946 hours remaining, 238.156250 MB of memory in use. ENERGY: 1741000 4018.3920 20458.2644 14457.3498 230.4372 -203205.0866 2628.8338 0.0000 0.0000 51976.4094 -109435.3999 298.7091 -161411.8094 -109069.8343 299.6623 46.4991 75.9478 761553.5026 -14.1984 -13.9055 PRESSURE: 1741200 112.144 -13.559 -235.885 -13.559 36.561 19.5126 -235.886 19.5137 386.926 GPRESSURE: 1741200 149.783 75.1299 -250.982 56.5673 130.721 -58.1108 -209.493 -78.0016 331.402 PRESSAVG: 1741200 30.0917 -12.4753 90.8133 -12.4753 -3.88599 14.4037 90.8133 14.4037 7.77027 GPRESSAVG: 1741200 29.7257 -11.7214 90.5462 -14.7205 -3.0287 15.3114 89.2607 14.0845 7.03382 TIMING: 1741200 CPU: 5487.92, 0.00319321/step Wall: 5487.92, 0.00319321/step, 2.89056 hours remaining, 238.156250 MB of memory in use. ENERGY: 1741200 3971.5722 20519.4006 14426.7144 254.2058 -203253.1208 2638.5020 0.0000 0.0000 51997.2561 -109445.4697 298.8289 -161442.7259 -109085.8475 298.8343 178.5438 203.9686 760964.6071 11.3253 11.2436 PRESSURE: 1741400 -45.5538 9.1351 135.605 9.13489 -75.9612 -90.0159 135.605 -90.0161 -320.006 GPRESSURE: 1741400 -38.1582 -79.895 149.639 25.6186 -47.5607 -66.3002 73.4243 -190.155 -260.822 PRESSAVG: 1741400 -10.6378 -21.4692 50.5974 -21.4692 -11.6285 31.6771 50.5974 31.6771 -7.41637 GPRESSAVG: 1741400 -10.5383 -23.548 51.4085 -20.0914 -11.823 32.6817 52.071 30.776 -7.03769 TIMING: 1741400 CPU: 5488.56, 0.00318793/step Wall: 5488.56, 0.00318793/step, 2.88561 hours remaining, 238.156250 MB of memory in use. ENERGY: 1741400 4005.0308 20495.9343 14500.7744 252.3031 -203199.8896 2503.2813 0.0000 0.0000 51878.6366 -109563.9292 298.1472 -161442.5657 -109199.7197 298.6483 -147.1737 -115.5138 761696.9244 -9.8942 -9.7997 PRESSURE: 1741600 199.202 -82.9359 37.5099 -82.936 231.696 61.7942 37.5091 61.7949 321.058 GPRESSURE: 1741600 290.545 -61.5381 93.965 -53.5176 219.736 170.703 -42.5007 -102.17 324.975 PRESSAVG: 1741600 11.6331 -0.389853 -5.89006 -0.389816 -2.83148 -54.087 -5.89006 -54.0871 17.3921 GPRESSAVG: 1741600 12.4161 0.200955 -6.24916 -1.1318 -2.60036 -53.7266 -7.12266 -54.9206 16.0689 TIMING: 1741600 CPU: 5489.2, 0.00319943/step Wall: 5489.2, 0.00319943/step, 2.89584 hours remaining, 238.156250 MB of memory in use. ENERGY: 1741600 3908.8261 20194.8800 14442.4508 249.0332 -203366.3180 2720.0484 0.0000 0.0000 52006.2446 -109844.8350 298.8806 -161851.0796 -109470.9665 298.1690 250.6522 278.4185 759459.7380 8.7313 8.6282 PRESSURE: 1741800 -370.196 -170.174 59.4067 -170.175 -452.852 139.496 59.4063 139.495 -309.247 GPRESSURE: 1741800 -373.306 -112.017 -5.49562 -111.413 -395.936 59.2376 63.9688 72.1229 -283.917 PRESSAVG: 1741800 59.4812 -13.2837 36.4035 -13.2838 -52.3632 17.9621 36.4035 17.962 -19.1167 GPRESSAVG: 1741800 57.6917 -14.9396 35.3857 -11.4382 -51.4612 14.9827 37.0139 19.6982 -18.4254 TIMING: 1741800 CPU: 5489.84, 0.00321028/step Wall: 5489.84, 0.00321028/step, 2.90548 hours remaining, 238.156250 MB of memory in use. ENERGY: 1741800 3964.9636 20373.8710 14524.4409 242.4555 -202908.0424 2253.4261 0.0000 0.0000 51813.4882 -109735.3972 297.7728 -161548.8854 -109378.2100 298.1908 -377.4315 -351.0529 762373.9598 -3.9996 -4.0650 PRESSURE: 1742000 319.643 18.2984 199.378 18.2982 27.3344 -84.8963 199.379 -84.8961 305.752 GPRESSURE: 1742000 367.869 32.9639 179.652 -46.9359 36.1088 -39.7141 121.411 -68.7574 330.154 PRESSAVG: 1742000 49.4222 -14.0796 -21.8551 -14.0796 -12.1305 49.9938 -21.8551 49.9938 -1.42027 GPRESSAVG: 1742000 50.858 -12.9127 -20.8128 -14.7408 -13.4405 51.406 -20.7563 50.5354 -1.90201 TIMING: 1742000 CPU: 5490.49, 0.00320702/step Wall: 5490.49, 0.00320702/step, 2.90235 hours remaining, 238.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1742000 3935.6928 20454.8616 14442.8959 233.6503 -203184.3808 2558.6755 0.0000 0.0000 51900.3523 -109658.2522 298.2720 -161558.6045 -109301.4997 298.3529 217.5766 244.7109 761407.8388 11.9572 11.8385 PRESSURE: 1742200 -76.3391 -136.233 -113.165 -136.234 158.394 -195.154 -113.165 -195.156 -410.033 GPRESSURE: 1742200 -102.262 -204.073 -99.9912 -80.4344 212.717 -166.695 -159.554 -114.296 -355.361 PRESSAVG: 1742200 9.60081 23.1847 -8.17079 23.1846 -7.6431 66.6022 -8.17077 66.6022 -12.6187 GPRESSAVG: 1742200 8.31078 22.8949 -7.55261 20.9564 -6.34799 66.1754 -9.22436 65.2944 -12.6046 TIMING: 1742200 CPU: 5491.12, 0.00319449/step Wall: 5491.12, 0.00319449/step, 2.89084 hours remaining, 238.156250 MB of memory in use. ENERGY: 1742200 4018.4020 20332.6223 14513.3786 257.4096 -202995.6853 2346.8798 0.0000 0.0000 52014.5684 -109512.4247 298.9284 -161526.9931 -109138.1025 298.5208 -109.3262 -81.6351 763060.1821 -3.5537 -3.5473 PRESSURE: 1742400 -262.09 -140.161 78.8175 -140.161 138.755 -13.0518 78.8173 -13.0507 59.2697 GPRESSURE: 1742400 -198.049 -185.047 58.9105 -141.017 173.729 46.4363 39.4062 -144.285 67.4444 PRESSAVG: 1742400 -54.7385 -11.6359 2.37601 -11.6359 43.9107 31.4458 2.37605 31.4458 20.7313 GPRESSAVG: 1742400 -54.252 -11.565 0.963781 -8.94318 43.5502 29.9261 1.85573 33.2163 20.9274 TIMING: 1742400 CPU: 5491.77, 0.00321167/step Wall: 5491.77, 0.00321167/step, 2.90621 hours remaining, 238.156250 MB of memory in use. ENERGY: 1742400 4020.9375 20367.7748 14480.4605 256.9786 -203196.3455 2599.5769 0.0000 0.0000 52028.7159 -109441.9014 299.0097 -161470.6172 -109083.5456 298.9933 -21.3551 14.3748 761653.5757 3.3012 3.4085 PRESSURE: 1742600 -61.6698 67.73 -108.462 67.7302 -259.551 111.662 -108.462 111.66 -29.808 GPRESSURE: 1742600 -30.6455 55.1712 -106.52 -10.0179 -197.993 156.434 -14.4947 107.579 -31.8558 PRESSAVG: 1742600 0.881925 -30.8646 29.2158 -30.8647 42.9607 22.592 29.2158 22.592 1.49745 GPRESSAVG: 1742600 1.26566 -32.4682 29.0276 -31.4731 42.1961 23.8761 29.6401 22.2976 2.20131 TIMING: 1742600 CPU: 5492.4, 0.00317629/step Wall: 5492.4, 0.00317629/step, 2.87402 hours remaining, 238.156250 MB of memory in use. ENERGY: 1742600 3982.6959 20475.8692 14436.3220 235.6016 -203189.4545 2572.0338 0.0000 0.0000 51880.3237 -109606.6083 298.1569 -161486.9320 -109241.3980 298.7767 -117.0096 -86.8314 762275.3716 15.1134 15.2210 PRESSURE: 1742800 -15.7345 44.3413 116.493 44.3409 -13.6931 79.549 116.492 79.5485 -311.254 GPRESSURE: 1742800 3.20269 -3.09884 53.8242 2.87584 33.591 104.141 128.896 14.929 -311.89 PRESSAVG: 1742800 -57.5471 -10.3282 23.5485 -10.3282 56.01 15.1598 23.5485 15.1596 -11.4617 GPRESSAVG: 1742800 -57.2342 -9.29565 25.087 -10.163 56.7896 16.1947 23.5652 14.8529 -13.0459 TIMING: 1742800 CPU: 5493.04, 0.00317263/step Wall: 5493.04, 0.00317263/step, 2.87053 hours remaining, 238.156250 MB of memory in use. ENERGY: 1742800 3981.7963 20513.4874 14472.8747 237.6646 -203255.5254 2594.1289 0.0000 0.0000 52181.2557 -109274.3178 299.8864 -161455.5735 -108908.8199 299.2800 -113.5606 -91.6988 761864.7457 -4.3329 -4.4968 PRESSURE: 1743000 -475.902 -162.081 -205.07 -162.08 -70.1815 -51.3477 -205.069 -51.3475 35.1161 GPRESSURE: 1743000 -387.836 -231.71 -205.341 -63.3765 -118.926 -59.2825 -68.4071 -9.03943 87.0422 PRESSAVG: 1743000 -15.9244 6.71106 22.7395 6.71106 -10.5553 4.71775 22.7395 4.7178 -3.48241 GPRESSAVG: 1743000 -15.551 6.42528 22.0026 6.87428 -12.2548 5.72991 19.406 3.14554 -2.18734 TIMING: 1743000 CPU: 5493.67, 0.0031893/step Wall: 5493.67, 0.0031893/step, 2.88543 hours remaining, 238.156250 MB of memory in use. ENERGY: 1743000 3985.1245 20543.4122 14385.8926 253.8099 -203622.9647 2745.5930 0.0000 0.0000 52330.0441 -109379.0884 300.7415 -161709.1326 -109013.0303 299.4867 -170.3224 -139.9066 761715.0343 -9.9874 -9.9977 PRESSURE: 1743200 294.731 -142.72 -121.341 -142.719 -191.418 176.237 -121.342 176.236 -52.3115 GPRESSURE: 1743200 250.817 -105.065 -97.1596 -76.5347 -98.0507 154.216 -83.0618 117.309 0.295109 PRESSAVG: 1743200 17.5413 -45.627 9.57262 -45.627 -50.3771 10.8208 9.5726 10.8209 18.0907 GPRESSAVG: 1743200 17.2376 -46.0634 9.50429 -43.5321 -49.7344 8.60231 13.9937 10.7588 17.8691 TIMING: 1743200 CPU: 5494.31, 0.00318527/step Wall: 5494.31, 0.00318527/step, 2.88161 hours remaining, 238.156250 MB of memory in use. ENERGY: 1743200 3964.5489 20440.7601 14443.6881 231.3042 -202863.9207 2535.9544 0.0000 0.0000 51959.7991 -109287.8661 298.6137 -161247.6652 -108925.6994 299.5644 17.0005 51.0206 761533.7415 -4.9150 -4.8759 PRESSURE: 1743400 39.8413 36.3612 -66.3722 36.361 -349.584 4.62802 -66.3728 4.62796 -4.27232 GPRESSURE: 1743400 24.0211 74.491 -190.046 40.2116 -275.071 41.1565 70.0481 115.405 44.5066 PRESSAVG: 1743400 39.2145 -24.5956 41.5166 -24.5956 -20.6614 -26.3313 41.5166 -26.3313 6.76095 GPRESSAVG: 1743400 37.9011 -23.1392 42.1316 -25.3231 -19.1305 -23.8948 39.9179 -24.6774 6.70262 TIMING: 1743400 CPU: 5494.95, 0.00319168/step Wall: 5494.95, 0.00319168/step, 2.88723 hours remaining, 238.156250 MB of memory in use. ENERGY: 1743400 4029.3176 20500.9042 14400.1454 255.0405 -203067.8057 2446.1101 0.0000 0.0000 52179.7351 -109256.5528 299.8777 -161436.2879 -108893.8609 299.7682 -104.6717 -68.8477 761726.9331 8.4380 8.4911 PRESSURE: 1743600 96.7571 57.0568 367.726 57.0568 259.583 182.962 367.727 182.962 -293.008 GPRESSURE: 1743600 78.0754 55.8902 397.1 68.619 298.667 236.462 326.194 213.961 -237.015 PRESSAVG: 1743600 -40.0912 -25.4468 29.2503 -25.4468 36.1123 -40.6109 29.2503 -40.6109 0.590718 GPRESSAVG: 1743600 -39.6137 -25.2677 27.9086 -26.4714 34.6673 -43.1992 31.4274 -38.6557 1.20341 TIMING: 1743600 CPU: 5495.58, 0.00315564/step Wall: 5495.58, 0.00315564/step, 2.85445 hours remaining, 238.156250 MB of memory in use. ENERGY: 1743600 4050.7397 20451.5928 14463.6497 254.9710 -203549.4435 2827.9225 0.0000 0.0000 52115.2266 -109385.3412 299.5069 -161500.5678 -109026.8352 299.4259 21.1107 46.5756 761223.3379 -1.1294 -1.2477 PRESSURE: 1743800 196.153 159.615 70.3166 159.615 -43.764 53.4558 70.3159 53.4564 -109.559 GPRESSURE: 1743800 314.448 154.551 207.579 116.958 -166.671 -44.1204 36.6735 -31.0518 -32.2851 PRESSAVG: 1743800 6.57529 -19.4717 5.68561 -19.4717 -52.1069 32.3562 5.68559 32.3562 18.2033 GPRESSAVG: 1743800 6.17993 -19.128 10.0596 -19.2918 -51.0641 34.0563 0.729232 29.7275 17.9101 TIMING: 1743800 CPU: 5496.21, 0.00316242/step Wall: 5496.21, 0.00316242/step, 2.86041 hours remaining, 238.156250 MB of memory in use. ENERGY: 1743800 3977.7353 20639.1742 14478.7866 237.7452 -203398.9557 2585.8502 0.0000 0.0000 51894.8915 -109584.7725 298.2407 -161479.6641 -109222.5999 298.7086 14.2766 38.4976 761121.3494 -9.1094 -8.9914 PRESSURE: 1744000 -436.478 241.031 -210.392 241.03 83.8933 -21.4939 -210.392 -21.4928 -87.879 GPRESSURE: 1744000 -327.174 97.8406 -217.494 196.36 114.558 6.15511 -143.819 -82.5126 -145.3 PRESSAVG: 1744000 19.0829 12.843 34.8882 12.8429 -42.4123 22.1457 34.8882 22.1458 -25.0428 GPRESSAVG: 1744000 20.9862 12.4587 33.1949 14.1655 -43.2544 21.9962 37.4757 21.5826 -25.2373 TIMING: 1744000 CPU: 5496.85, 0.00317865/step Wall: 5496.85, 0.00317865/step, 2.87491 hours remaining, 238.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1744000 4019.8849 20272.2182 14414.3362 254.6680 -203110.3885 2425.1314 0.0000 0.0000 52125.8135 -109598.3364 299.5678 -161724.1499 -109245.1413 298.1270 -146.8214 -119.3050 760121.5452 -16.1240 -15.8352 PRESSURE: 1744200 -205.327 14.9394 254.533 14.9398 -26.8606 73.4404 254.532 73.4407 91.1597 GPRESSURE: 1744200 -139.52 -34.813 213.23 49.1866 59.8251 48.9953 237.025 71.3962 28.7382 PRESSAVG: 1744200 -25.2636 -24.659 13.7295 -24.6591 -8.63811 -23.5703 13.7294 -23.5703 3.95767 GPRESSAVG: 1744200 -25.2669 -26.797 11.4354 -24.1059 -7.74563 -26.2857 15.0724 -21.733 3.03385 TIMING: 1744200 CPU: 5497.48, 0.0031662/step Wall: 5497.48, 0.0031662/step, 2.86348 hours remaining, 238.156250 MB of memory in use. ENERGY: 1744200 3987.6048 20526.8003 14403.2391 268.8230 -203454.6025 2583.6306 0.0000 0.0000 52070.8814 -109613.6232 299.2521 -161684.5046 -109257.6545 298.8876 -47.0092 -16.9855 762962.6940 -9.9813 -9.9929 LDB: ============= START OF LOAD BALANCING ============== 5509.88 LDB: ============== END OF LOAD BALANCING =============== 5509.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5509.88 LDB: ============= START OF LOAD BALANCING ============== 5510.2 LDB: Largest compute 7034 load 0.036935 is 18.9% of average load 0.195904 LDB: Average compute 0.004405 is 2.2% of average load 0.195904 LDB: TIME 5510.2 LOAD: AVG 0.195904 MAX 0.213172 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 5510.2 LOAD: AVG 0.195904 MAX 0.213172 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: TIME 5510.2 LOAD: AVG 0.195904 MAX 0.213172 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: ============== END OF LOAD BALANCING =============== 5510.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5510.21 PRESSURE: 1744400 -58.6266 -80.6184 -42.3807 -80.6186 3.86421 -114.683 -42.3811 -114.683 -183.499 GPRESSURE: 1744400 11.9961 -115.827 -47.8879 -158.767 13.3115 -110.608 -112.753 -134.109 -190.843 PRESSAVG: 1744400 -44.1005 27.0233 35.3855 27.0232 32.2868 -10.6367 35.3855 -10.6366 -8.97639 GPRESSAVG: 1744400 -44.6161 29.3949 35.5698 25.3264 32.0447 -9.06767 36.9131 -13.0346 -8.44444 TIMING: 1744400 CPU: 5498.13, 0.00321826/step Wall: 5498.13, 0.00321826/step, 2.91038 hours remaining, 237.839844 MB of memory in use. ENERGY: 1744400 4106.7229 20490.1014 14399.3544 251.2553 -203604.7875 2835.2045 0.0000 0.0000 52130.7575 -109391.3914 299.5962 -161522.1489 -109028.3939 299.2941 -79.4205 -55.1784 761045.8444 -6.9301 -7.0053 PRESSURE: 1744600 -415.465 -50.3988 -2.79476 -50.3989 -147.555 -62.8827 -2.79463 -62.8819 187.242 GPRESSURE: 1744600 -364.83 -20.1909 15.8269 54.3813 -49.4027 -23.0809 105.01 -32.4057 134.666 PRESSAVG: 1744600 11.5564 -8.06627 -12.4479 -8.06625 -53.8072 8.56621 -12.448 8.56613 19.1006 GPRESSAVG: 1744600 12.1118 -9.97481 -11.7146 -8.17807 -53.1995 7.72368 -15.6125 12.8862 18.6841 TIMING: 1744600 CPU: 5498.76, 0.00316194/step Wall: 5498.76, 0.00316194/step, 2.85927 hours remaining, 238.042969 MB of memory in use. ENERGY: 1744600 3961.8285 20345.2434 14448.5849 228.0453 -202542.0449 2378.5749 0.0000 0.0000 52275.0442 -108904.7238 300.4254 -161179.7680 -108533.8738 299.9128 -125.2592 -93.1888 763346.3164 -7.7167 -7.4679 PRESSURE: 1744800 -229.517 -211.497 123.707 -211.497 -226.938 -20.9384 123.707 -20.9384 -198.4 GPRESSURE: 1744800 -228.583 -245.661 77.3775 -337.926 -198.441 -24.4721 95.9608 30.0279 -134.446 PRESSAVG: 1744800 76.0949 8.23475 38.4882 8.23484 -39.4407 -1.52619 38.4881 -1.52609 -6.80932 GPRESSAVG: 1744800 74.7826 9.3357 40.3422 7.10034 -37.8382 0.255062 40.7439 -4.67094 -6.57757 TIMING: 1744800 CPU: 5499.39, 0.0031768/step Wall: 5499.39, 0.0031768/step, 2.87253 hours remaining, 238.042969 MB of memory in use. ENERGY: 1744800 4089.1778 20487.7329 14408.5423 246.7130 -202803.7050 2492.9041 0.0000 0.0000 52281.4166 -108797.2183 300.4620 -161078.6349 -108429.7199 300.4849 -218.2851 -187.1564 762690.1400 9.9483 10.1223 PRESSURE: 1745000 165.927 -95.0404 -99.7023 -95.0404 271.646 136.96 -99.7022 136.961 -111.747 GPRESSURE: 1745000 304.89 -93.5965 -82.5084 -60.7412 159.677 113.348 51.0919 294.646 -61.4541 PRESSAVG: 1745000 -35.0182 -12.8254 1.80387 -12.8254 -8.38499 -0.327854 1.80392 -0.327825 -13.1134 GPRESSAVG: 1745000 -33.8713 -13.6139 -0.920541 -10.5253 -8.78248 -1.54253 1.75374 0.459259 -13.4441 TIMING: 1745000 CPU: 5500.04, 0.00320863/step Wall: 5500.04, 0.00320863/step, 2.90114 hours remaining, 238.042969 MB of memory in use. ENERGY: 1745000 4036.5093 20672.5351 14465.3471 247.5089 -202948.9798 2595.5195 0.0000 0.0000 52263.8227 -108667.7373 300.3609 -160931.5600 -108310.4330 300.9179 108.6085 134.3709 762550.3306 -18.8388 -18.6993 PRESSURE: 1745200 -24.609 -324.369 97.9166 -324.369 -116.46 187.393 97.9166 187.394 -240.969 GPRESSURE: 1745200 43.6031 -373.701 64.7061 -312.004 -173.749 131.376 -20.7143 234.443 -170.226 PRESSAVG: 1745200 44.2669 -26.8338 34.2165 -26.8338 -31.4829 46.6639 34.2165 46.6639 -3.93729 GPRESSAVG: 1745200 43.579 -26.9977 34.381 -25.9891 -33.2366 48.9706 33.8899 46.6331 -1.62519 TIMING: 1745200 CPU: 5500.67, 0.00315677/step Wall: 5500.67, 0.00315677/step, 2.85407 hours remaining, 238.042969 MB of memory in use. ENERGY: 1745200 4024.6780 20611.6417 14448.7233 253.4245 -203020.2366 2572.5251 0.0000 0.0000 52354.1988 -108755.0452 300.8803 -161109.2441 -108389.8697 300.8713 -127.3461 -100.1237 763566.0589 2.9489 2.9057 PRESSURE: 1745400 -38.797 -31.7832 -120.18 -31.784 -238.124 -203.211 -120.179 -203.211 191.253 GPRESSURE: 1745400 -82.2122 -44.8282 -126.799 -67.9908 -162.394 -198.236 -104.276 -30.686 257.561 PRESSAVG: 1745400 19.3134 2.82494 -83.7694 2.82486 -50.9863 -53.9956 -83.7693 -53.9957 -1.15351 GPRESSAVG: 1745400 19.4992 2.92598 -84.2035 1.54985 -49.472 -54.4598 -85.3049 -55.0878 -2.43204 TIMING: 1745400 CPU: 5501.3, 0.00316375/step Wall: 5501.3, 0.00316375/step, 2.8602 hours remaining, 238.042969 MB of memory in use. ENERGY: 1745400 3983.5927 20720.0064 14479.0324 246.3807 -202998.8117 2369.0317 0.0000 0.0000 52736.6472 -108464.1206 303.0782 -161200.7678 -108096.4198 301.1032 -28.5561 4.3182 762306.5995 -10.9422 -10.8016 PRESSURE: 1745600 37.1325 -71.215 -75.9403 -71.2153 -137.829 -230.477 -75.9402 -230.476 283.025 GPRESSURE: 1745600 105.824 -117.275 -172.848 -106.019 -68.0349 -141.3 -102.783 -315.239 214.629 PRESSAVG: 1745600 36.6952 29.6778 -69.3528 29.6778 -67.674 -6.60227 -69.3528 -6.60231 17.2839 GPRESSAVG: 1745600 38.0772 30.5327 -69.0831 29.7558 -67.6191 -6.59913 -67.3457 -6.75446 15.6663 TIMING: 1745600 CPU: 5501.93, 0.00314055/step Wall: 5501.93, 0.00314055/step, 2.83906 hours remaining, 238.042969 MB of memory in use. ENERGY: 1745600 4153.0071 20552.8737 14614.4401 257.5408 -203008.0811 2583.3796 0.0000 0.0000 52336.2901 -108510.5497 300.7774 -160846.8398 -108159.5343 301.3555 60.7761 84.1395 762877.0304 -4.5650 -4.6252 PRESSURE: 1745800 -228.299 -29.7108 -66.9526 -29.7105 -190.161 41.1582 -66.9531 41.1581 79.4568 GPRESSURE: 1745800 -187.962 30.8922 -71.1559 -67.0869 -185.362 -47.0268 -126.3 -62.4684 125.263 PRESSAVG: 1745800 1.77486 -16.6347 10.9915 -16.6347 -33.7114 7.07878 10.9915 7.07879 -8.44066 GPRESSAVG: 1745800 0.463699 -16.4081 11.4345 -17.7262 -33.6196 6.43787 10.2431 8.26018 -7.04777 TIMING: 1745800 CPU: 5502.56, 0.0031517/step Wall: 5502.56, 0.00315169/step, 2.84896 hours remaining, 238.042969 MB of memory in use. ENERGY: 1745800 4082.7214 20699.0904 14460.7348 228.9355 -202970.1845 2549.9193 0.0000 0.0000 52279.3459 -108669.4372 300.4501 -160948.7831 -108302.5801 301.3943 -113.0012 -82.6870 762392.3776 -13.4591 -13.4012 PRESSURE: 1746000 245.946 -151.266 10.5211 -151.265 93.2444 6.01882 10.5214 6.01914 -129.313 GPRESSURE: 1746000 323.853 -68.6341 160.927 -101.765 72.1843 119.724 -22.2272 -85.652 -105.671 PRESSAVG: 1746000 17.8213 -35.3747 28.0004 -35.3746 -19.2416 16.4409 28.0004 16.4408 -6.92964 GPRESSAVG: 1746000 18.3834 -36.1071 29.6055 -33.8736 -18.9581 15.306 28.4766 17.8645 -7.88297 TIMING: 1746000 CPU: 5503.19, 0.0031447/step Wall: 5503.19, 0.0031447/step, 2.84246 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1746000 3987.2439 20744.0659 14403.9392 242.8195 -202743.0024 2534.7008 0.0000 0.0000 52270.2208 -108560.0122 300.3977 -160830.2330 -108204.1465 300.8624 69.9593 96.7886 762381.2672 -2.7833 -2.8192 PRESSURE: 1746200 56.4214 -85.0756 306.181 -85.0755 -158.256 30.5839 306.181 30.5837 -140.503 GPRESSURE: 1746200 75.813 22.9848 264.558 59.9218 -162.413 104.52 145.43 -8.82749 -76.5153 PRESSAVG: 1746200 25.3205 -43.4597 38.4238 -43.4597 -21.5421 79.4892 38.4238 79.4892 4.92977 GPRESSAVG: 1746200 25.2516 -42.0356 37.792 -43.6068 -22.5312 81.6138 36.1577 76.1134 6.24788 TIMING: 1746200 CPU: 5503.82, 0.00316249/step Wall: 5503.82, 0.00316249/step, 2.85837 hours remaining, 238.042969 MB of memory in use. ENERGY: 1746200 4076.5345 20757.0374 14475.9910 242.8750 -203142.4393 2513.2182 0.0000 0.0000 52461.7270 -108615.0562 301.4983 -161076.7832 -108250.8831 301.2484 -80.7790 -54.3718 761503.0726 2.9027 2.9894 PRESSURE: 1746400 -434.1 -96.9145 304.294 -96.9149 -7.95567 -2.48292 304.294 -2.48276 20.0017 GPRESSURE: 1746400 -356.852 -66.096 189.117 -91.3527 16.308 -91.9664 368.438 209.559 -10.5096 PRESSAVG: 1746400 20.9085 -45.3165 57.8354 -45.3165 -7.24379 41.2988 57.8354 41.2989 -11.2624 GPRESSAVG: 1746400 20.8131 -46.7283 58.4883 -46.4451 -6.81491 41.0049 61.1521 45.8868 -10.8189 TIMING: 1746400 CPU: 5504.45, 0.0031767/step Wall: 5504.45, 0.0031767/step, 2.87104 hours remaining, 238.042969 MB of memory in use. ENERGY: 1746400 4013.5591 20694.3835 14492.2115 248.5846 -202631.1261 2141.3815 0.0000 0.0000 52267.9779 -108773.0279 300.3848 -161041.0058 -108404.5765 301.1369 -140.6848 -117.0177 761866.2662 0.8008 1.0598 PRESSURE: 1746600 154.206 -44.7536 -47.8579 -44.754 -188.511 -31.6167 -47.8575 -31.6162 214.125 GPRESSURE: 1746600 275.464 -111.785 -89.684 -70.5397 -163.238 -90.9473 -80.4058 -68.5244 144.049 PRESSAVG: 1746600 -53.9553 37.0207 18.2657 37.0206 -13.3759 14.5821 18.2657 14.5821 0.508115 GPRESSAVG: 1746600 -53.0649 35.9453 15.5781 36.6952 -13.7384 14.3646 17.848 11.4115 0.611248 TIMING: 1746600 CPU: 5505.08, 0.00314608/step Wall: 5505.08, 0.00314608/step, 2.84318 hours remaining, 238.042969 MB of memory in use. ENERGY: 1746600 3963.7706 20595.8475 14403.8405 254.8976 -203390.2864 2518.9309 0.0000 0.0000 52385.0942 -109267.9052 301.0579 -161652.9994 -108895.7894 300.3153 59.9399 85.4249 762262.9145 -22.2744 -22.0640 PRESSURE: 1746800 252.581 136.153 156.697 136.153 180.26 361.648 156.698 361.648 -122.584 GPRESSURE: 1746800 267.047 142.924 230.927 70.4086 189.618 408.193 130.224 372.075 -60.7572 PRESSAVG: 1746800 46.6323 23.6093 -18.1924 23.6093 -81.8544 42.8918 -18.1923 42.8918 12.0434 GPRESSAVG: 1746800 45.6061 24.7137 -16.6276 23.5648 -79.9872 43.803 -19.6708 42.394 11.3187 TIMING: 1746800 CPU: 5505.72, 0.0031547/step Wall: 5505.72, 0.00315471/step, 2.8508 hours remaining, 238.042969 MB of memory in use. ENERGY: 1746800 3971.4728 20503.3242 14412.4272 237.9988 -203657.4116 2843.5500 0.0000 0.0000 52261.9235 -109426.7150 300.3500 -161688.6385 -109052.1401 299.6252 103.4191 131.9691 760954.5545 -7.7262 -7.6875 PRESSURE: 1747000 38.6454 138.367 -48.9065 138.367 323.507 -259.425 -48.9071 -259.425 -410.784 GPRESSURE: 1747000 22.9251 63.0556 -111.543 135.705 364.875 -236.131 -126.149 -219.654 -363.484 PRESSAVG: 1747000 85.0196 -17.4571 -19.9615 -17.4572 -74.5983 51.2431 -19.9615 51.2431 2.48158 GPRESSAVG: 1747000 83.7638 -18.5515 -20.0103 -17.383 -73.672 52.5619 -19.2494 51.6684 2.0337 TIMING: 1747000 CPU: 5506.35, 0.00315428/step Wall: 5506.35, 0.00315428/step, 2.85024 hours remaining, 238.042969 MB of memory in use. ENERGY: 1747000 4048.8296 20511.8049 14495.6088 243.9467 -203658.2258 2693.4437 0.0000 0.0000 52223.2068 -109441.3852 300.1275 -161664.5920 -109088.7975 299.9396 -16.2107 8.1054 760286.7644 4.3010 4.0418 PRESSURE: 1747200 43.0409 -58.3282 -8.13205 -58.3292 203.04 33.1629 -8.13148 33.1642 2.90353 GPRESSURE: 1747200 12.6062 16.2678 3.30758 -12.4023 312.104 123.118 38.6234 10.306 27.7146 PRESSAVG: 1747200 -11.4025 -29.2576 -12.9438 -29.2576 -7.86443 24.3289 -12.9438 24.3289 -32.4355 GPRESSAVG: 1747200 -11.5254 -28.2472 -14.8655 -30.6473 -10.2601 23.2181 -13.2605 23.5348 -30.909 TIMING: 1747200 CPU: 5506.98, 0.00314605/step Wall: 5506.98, 0.00314605/step, 2.84263 hours remaining, 238.042969 MB of memory in use. ENERGY: 1747200 4034.0818 20363.6525 14451.5011 250.2409 -203434.0018 2540.5113 0.0000 0.0000 52277.1265 -109516.8876 300.4374 -161794.0141 -109144.6673 299.3391 82.9950 117.4750 759735.7216 -17.2341 -17.5648 PRESSURE: 1747400 -10.6669 -168.141 206.912 -168.142 -51.9006 96.5891 206.912 96.5883 -345.278 GPRESSURE: 1747400 22.8722 -117.079 208.267 -144.341 -66.4053 80.6208 240.433 121.44 -280.073 PRESSAVG: 1747400 53.5587 -23.654 24.3046 -23.654 -6.66241 25.4084 24.3046 25.4084 5.28493 GPRESSAVG: 1747400 54.1976 -24.1227 25.7321 -22.2186 -5.94237 23.6824 26.1993 27.3039 3.84488 TIMING: 1747400 CPU: 5507.61, 0.00315743/step Wall: 5507.61, 0.00315743/step, 2.85274 hours remaining, 238.042969 MB of memory in use. ENERGY: 1747400 3978.1488 20420.0755 14435.9542 247.5704 -203268.6790 2477.3513 0.0000 0.0000 52292.2567 -109417.3220 300.5243 -161709.5787 -109046.4825 299.3902 -135.9484 -107.8686 760774.8818 17.3937 17.3667 PRESSURE: 1747600 -87.4882 21.5296 37.8696 21.5289 -148.349 -114.936 37.8697 -114.936 394.249 GPRESSURE: 1747600 -11.2525 52.5416 -26.6935 -5.2104 -115.498 -201.304 47.7397 -30.5086 379.568 PRESSAVG: 1747600 58.6393 -27.1012 20.984 -27.1012 -36.4691 -32.405 20.9839 -32.4051 6.93926 GPRESSAVG: 1747600 58.172 -25.743 21.5108 -27.6174 -36.4779 -31.8961 18.9281 -32.647 7.3913 TIMING: 1747600 CPU: 5508.24, 0.00315236/step Wall: 5508.24, 0.00315236/step, 2.84798 hours remaining, 238.042969 MB of memory in use. ENERGY: 1747600 3924.7750 20474.7477 14434.1661 254.9418 -203225.3464 2616.0183 0.0000 0.0000 52029.6969 -109491.0007 299.0154 -161520.6976 -109127.0878 299.3270 52.8040 84.2726 761576.1306 9.7031 9.6951 PRESSURE: 1747800 254.295 -81.9247 23.2446 -81.9254 -164.277 177.924 23.245 177.924 -430.39 GPRESSURE: 1747800 153.214 -96.5567 50.0835 11.444 -58.5716 189.37 48.2905 209.612 -365.123 PRESSAVG: 1747800 50.1356 -51.2691 37.8809 -51.269 -19.6725 38.643 37.8809 38.6431 -4.7648 GPRESSAVG: 1747800 49.1873 -52.0735 37.03 -48.6092 -19.2399 38.2758 37.7703 39.7244 -4.38566 TIMING: 1747800 CPU: 5508.87, 0.00317764/step Wall: 5508.87, 0.00317764/step, 2.87065 hours remaining, 238.042969 MB of memory in use. ENERGY: 1747800 3963.2522 20655.5343 14478.0865 247.5997 -203098.1929 2427.4890 0.0000 0.0000 52082.4264 -109243.8048 299.3184 -161326.2312 -108889.5084 299.7097 -113.4574 -90.1604 761472.4033 8.5661 8.5206 PRESSURE: 1748000 -64.1024 122.795 238.214 122.795 -147.914 56.564 238.215 56.5632 -112.315 GPRESSURE: 1748000 49.8268 98.1214 181.697 85.0275 -158.931 162.576 240.758 -23.2093 -128.956 PRESSAVG: 1748000 62.3485 -19.6229 87.1056 -19.6229 -89.0142 -1.29899 87.1056 -1.29899 10.921 GPRESSAVG: 1748000 62.6993 -20.5233 88.7336 -22.2 -89.4136 0.118143 87.8668 -2.8099 10.597 TIMING: 1748000 CPU: 5509.5, 0.00315986/step Wall: 5509.5, 0.00315986/step, 2.85441 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1748000 4061.2556 20599.7895 14359.1685 255.6611 -203436.9249 2782.0952 0.0000 0.0000 52060.8532 -109318.1019 299.1944 -161378.9550 -108953.6172 299.9874 -108.1105 -79.3534 763146.0355 -5.2483 -5.3724 PRESSURE: 1748200 -112.711 91.0398 94.7577 91.0401 106.433 38.5282 94.7581 38.5281 -9.98743 GPRESSURE: 1748200 -94.9112 30.2432 71.0361 134.727 158.909 33.4552 120.322 14.3201 -7.36693 PRESSAVG: 1748200 62.9653 -46.2025 9.98738 -46.2025 -2.51013 -2.24325 9.98743 -2.24324 12.3838 GPRESSAVG: 1748200 63.5598 -44.2463 8.34862 -44.9417 -2.66948 -3.15872 8.16715 -3.26628 11.6678 TIMING: 1748200 CPU: 5510.14, 0.00318331/step Wall: 5510.14, 0.00318331/step, 2.87541 hours remaining, 238.042969 MB of memory in use. ENERGY: 1748200 4018.1506 20451.6253 14414.4492 239.0062 -203628.2118 2825.1001 0.0000 0.0000 52108.9155 -109570.9649 299.4707 -161679.8803 -109223.0125 299.7895 -5.4219 18.8768 761935.0417 24.2796 24.1860 LDB: ============= START OF LOAD BALANCING ============== 5522.54 LDB: ============== END OF LOAD BALANCING =============== 5522.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5522.54 LDB: ============= START OF LOAD BALANCING ============== 5522.86 LDB: Largest compute 7034 load 0.036927 is 18.9% of average load 0.195800 LDB: Average compute 0.004420 is 2.3% of average load 0.195800 LDB: TIME 5522.87 LOAD: AVG 0.1958 MAX 0.214032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 5522.87 LOAD: AVG 0.1958 MAX 0.214032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 5522.87 LOAD: AVG 0.1958 MAX 0.214032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 5522.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5522.87 PRESSURE: 1748400 165.533 -51.9211 48.8582 -51.9212 481.434 170.458 48.858 170.458 285.895 GPRESSURE: 1748400 282.608 28.2042 76.8246 29.7621 412.222 135.788 93.5484 211.483 334.388 PRESSAVG: 1748400 -9.35336 -17.4749 13.9204 -17.475 16.6744 17.5749 13.9205 17.5749 -16.2047 GPRESSAVG: 1748400 -8.97652 -17.5797 12.6289 -17.4176 16.3364 17.2742 16.0978 21.0731 -16.3871 TIMING: 1748400 CPU: 5510.79, 0.00325051/step Wall: 5510.79, 0.00325051/step, 2.93594 hours remaining, 238.476562 MB of memory in use. ENERGY: 1748400 3994.7659 20633.1955 14427.9878 251.1552 -203663.4786 2937.5067 0.0000 0.0000 52015.7233 -109403.1440 298.9351 -161418.8674 -109047.5313 299.6115 310.9541 343.0728 761447.1961 -2.9612 -3.0091 PRESSURE: 1748600 -140.426 -213.698 86.2193 -213.698 -45.5321 -19.8179 86.2188 -19.8182 -321.131 GPRESSURE: 1748600 -93.0146 -119.016 49.0515 -188.901 -97.3235 42.0847 12.3233 -116.986 -233.466 PRESSAVG: 1748600 38.3707 -9.16035 -32.6178 -9.16035 3.00176 -32.6796 -32.6178 -32.6796 -7.84664 GPRESSAVG: 1748600 35.106 -10.0904 -29.222 -9.11111 4.94825 -31.65 -35.4721 -33.8188 -6.63318 TIMING: 1748600 CPU: 5511.43, 0.00318391/step Wall: 5511.43, 0.00318391/step, 2.8756 hours remaining, 238.476562 MB of memory in use. ENERGY: 1748600 4066.3281 20492.7419 14492.2699 252.3479 -203113.2874 2529.0126 0.0000 0.0000 51950.3927 -109330.1943 298.5596 -161280.5869 -108972.9631 299.7518 -169.0298 -141.2682 762489.1981 11.1753 11.1404 PRESSURE: 1748800 259.505 -31.6004 96.9419 -31.6008 -238.681 -78.8219 96.9423 -78.8207 260.341 GPRESSURE: 1748800 277.227 -42.2347 8.76181 -32.7631 -76.3752 -93.842 151.767 36.5226 179.399 PRESSAVG: 1748800 19.9694 25.5045 17.4323 25.5045 -28.9682 -32.285 17.4323 -32.2849 41.3011 GPRESSAVG: 1748800 23.1283 26.1748 14.0323 25.8386 -31.5663 -32.8284 21.1418 -34.4579 40.7143 TIMING: 1748800 CPU: 5512.08, 0.00324713/step Wall: 5512.08, 0.00324712/step, 2.93251 hours remaining, 238.476562 MB of memory in use. ENERGY: 1748800 4015.3565 20514.0780 14414.7448 249.9624 -203615.8721 2805.3518 0.0000 0.0000 52228.0808 -109388.2979 300.1555 -161616.3787 -109034.1349 299.8543 93.7217 126.7504 761385.0240 10.7674 10.7587 PRESSURE: 1749000 -141.917 136.833 58.4404 136.833 226.513 -192.182 58.4398 -192.183 -275.775 GPRESSURE: 1749000 -63.4971 57.8695 34.1455 75.9592 151.475 -117.393 -28.0577 -185.686 -209.901 PRESSAVG: 1749000 35.5649 28.8237 17.5136 28.8237 -50.9386 -59.854 17.5136 -59.854 -17.111 GPRESSAVG: 1749000 34.5018 26.8558 18.769 27.221 -49.7967 -59.9582 17.5457 -56.7526 -17.1191 TIMING: 1749000 CPU: 5512.72, 0.00322395/step Wall: 5512.72, 0.00322395/step, 2.91141 hours remaining, 238.476562 MB of memory in use. ENERGY: 1749000 3990.6291 20470.0824 14498.8582 255.4828 -203912.0603 2814.1717 0.0000 0.0000 52204.0147 -109678.8212 300.0172 -161882.8359 -109316.4881 299.2433 -63.7262 -40.6410 761320.6523 -10.8282 -10.8046 PRESSURE: 1749200 -184.817 -0.233386 -322.11 -0.23283 -91.304 -92.1837 -322.11 -92.1841 -417.989 GPRESSURE: 1749200 -159.969 -10.0393 -181.097 10.3458 -104.598 -164.061 -448.639 -59.1534 -344.878 PRESSAVG: 1749200 -33.2144 -2.05372 -22.185 -2.0537 -4.30535 -95.1744 -22.185 -95.1743 -10.8459 GPRESSAVG: 1749200 -33.9269 -0.863417 -22.4228 -1.53395 -4.09785 -95.8682 -23.7672 -97.8718 -10.2159 TIMING: 1749200 CPU: 5513.36, 0.00320307/step Wall: 5513.36, 0.00320307/step, 2.89237 hours remaining, 238.476562 MB of memory in use. ENERGY: 1749200 4014.0966 20574.2019 14392.6085 238.1552 -203362.6392 2561.9644 0.0000 0.0000 51935.2665 -109646.3463 298.4727 -161581.6128 -109285.0220 299.1595 -231.3698 -203.1486 762742.1275 -16.1219 -16.0802 PRESSURE: 1749400 -160.263 -59.3253 -93.7877 -59.3254 -144.07 46.5717 -93.7873 46.5712 259.274 GPRESSURE: 1749400 -44.85 38.0352 -27.3231 -166.33 -131.875 46.7388 40.7056 -61.8079 212.92 PRESSAVG: 1749400 18.2174 58.2573 39.0316 58.2572 -8.5254 -40.4801 39.0315 -40.4802 -3.72036 GPRESSAVG: 1749400 18.8075 58.5755 39.6923 59.6968 -8.79184 -38.5892 36.8591 -40.3166 -3.4226 TIMING: 1749400 CPU: 5514, 0.00316986/step Wall: 5514, 0.00316986/step, 2.8622 hours remaining, 238.476562 MB of memory in use. ENERGY: 1749400 3992.3252 20357.6343 14477.9222 255.7601 -203516.7100 2605.5253 0.0000 0.0000 52180.1825 -109647.3605 299.8802 -161827.5431 -109280.6120 298.6313 -15.0194 12.0651 761670.2380 1.9906 2.1977 PRESSURE: 1749600 189.957 -104.336 188.442 -104.335 -125.826 -120.458 188.442 -120.458 -192.832 GPRESSURE: 1749600 177.783 -117.343 203.365 -39.4362 -77.0953 -137.832 214.519 20.7001 -137.885 PRESSAVG: 1749600 42.1014 -2.98052 -45.9897 -2.98054 -45.1153 -32.9742 -45.9897 -32.9742 -14.6647 GPRESSAVG: 1749600 42.1519 -2.55545 -47.4586 -4.61352 -44.967 -34.3989 -43.3281 -31.738 -15.3493 TIMING: 1749600 CPU: 5514.63, 0.00316652/step Wall: 5514.63, 0.00316652/step, 2.85902 hours remaining, 238.476562 MB of memory in use. ENERGY: 1749600 4023.5808 20628.4576 14474.0537 258.2219 -203796.6894 2784.6330 0.0000 0.0000 52344.1508 -109283.5915 300.8226 -161627.7424 -108918.1615 299.3717 -42.9000 -12.3992 760349.6381 -5.8929 -6.0548 PRESSURE: 1749800 197.291 126.672 -96.8719 126.672 49.9197 -180.954 -96.8717 -180.954 150.651 GPRESSURE: 1749800 198.975 213.719 -41.3361 111.674 40.0537 -174.711 -90.3138 -208.254 245.958 PRESSAVG: 1749800 42.5019 -9.40434 -9.85597 -9.40424 -77.8847 14.2292 -9.85592 14.2291 4.00217 GPRESSAVG: 1749800 42.2536 -8.49901 -10.3905 -9.34358 -78.7274 14.6682 -10.4678 12.5922 4.63284 TIMING: 1749800 CPU: 5515.27, 0.003195/step Wall: 5515.27, 0.003195/step, 2.88455 hours remaining, 238.476562 MB of memory in use. ENERGY: 1749800 3898.2240 20503.6542 14448.8584 237.6452 -203236.5133 2631.5291 0.0000 0.0000 51994.7693 -109521.8330 298.8147 -161516.6023 -109146.5504 299.5343 132.6206 161.6620 760567.7827 -10.4602 -10.6137 PRESSURE: 1750000 205.944 65.192 -116.653 65.1903 282.341 -12.9841 -116.654 -12.9847 229.047 GPRESSURE: 1750000 259.409 63.3578 -74.0375 14.1241 358.747 -22.9157 -67.3209 107.691 182.805 PRESSAVG: 1750000 -0.692731 4.40798 -43.5376 4.4079 -65.0152 -34.3075 -43.5376 -34.3075 21.8964 GPRESSAVG: 1750000 -1.40378 4.552 -42.916 4.86861 -64.7312 -34.9375 -43.6689 -32.0884 22.2063 TIMING: 1750000 CPU: 5515.91, 0.00318093/step Wall: 5515.91, 0.00318093/step, 2.87167 hours remaining, 238.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1750000 3981.7356 20627.3394 14396.9903 234.5593 -203513.3592 2766.3712 0.0000 0.0000 51990.2098 -109516.1536 298.7885 -161506.3634 -109152.0127 298.4429 239.1108 266.9871 760841.1665 -14.6038 -14.6429 PRESSURE: 1750200 -130.513 46.9467 15.4232 46.9464 213.577 -146.438 15.4234 -146.438 140.091 GPRESSURE: 1750200 -19.0824 82.995 -5.05203 70.3874 201.859 -189.457 -94.2822 -96.8005 107.644 PRESSAVG: 1750200 14.3422 36.9346 29.1499 36.9346 8.64562 -28.9038 29.1498 -28.9038 0.630658 GPRESSAVG: 1750200 14.7899 36.5212 28.8252 38.117 9.9193 -27.5658 27.9381 -30.6489 -0.688312 TIMING: 1750200 CPU: 5516.54, 0.00318005/step Wall: 5516.54, 0.00318005/step, 2.8707 hours remaining, 238.476562 MB of memory in use. ENERGY: 1750200 3938.6220 20606.5633 14481.8512 247.4317 -203217.2845 2449.6700 0.0000 0.0000 51940.8958 -109552.2505 298.5050 -161493.1463 -109187.2782 298.9136 74.3848 96.8067 761631.1812 7.8728 8.0070 PRESSURE: 1750400 125.978 50.3474 -252.447 50.3481 -92.1865 -172.696 -252.448 -172.696 136.472 GPRESSURE: 1750400 169.277 75.0434 -194.12 -0.912811 -78.1236 -116.047 -240.834 -185.005 171.366 PRESSAVG: 1750400 36.3727 6.34248 27.7432 6.3425 -13.6344 -35.7408 27.7431 -35.7409 16.7292 GPRESSAVG: 1750400 35.9225 7.11593 29.9756 5.5157 -14.25 -36.9055 27.0708 -35.236 17.4223 TIMING: 1750400 CPU: 5517.18, 0.0031902/step Wall: 5517.18, 0.0031902/step, 2.87968 hours remaining, 238.476562 MB of memory in use. ENERGY: 1750400 4026.8143 20459.8154 14461.5316 237.5304 -203201.0124 2624.5414 0.0000 0.0000 52149.0380 -109241.7412 299.7012 -161390.7792 -108883.7726 299.7712 56.7543 87.5067 760352.7862 13.1558 13.0316 PRESSURE: 1750600 103.727 129.606 283.169 129.605 -270.94 -170.62 283.169 -170.62 -82.889 GPRESSURE: 1750600 123.346 194.03 290.062 169.842 -219.348 -138.747 144.582 -136.576 -78.2964 PRESSAVG: 1750600 53.769 -42.5369 19.5169 -42.5369 -85.2319 0.586079 19.5169 0.586026 14.6238 GPRESSAVG: 1750600 53.9763 -44.2043 18.8372 -42.4527 -85.8471 1.8865 21.3167 -0.67231 14.7056 TIMING: 1750600 CPU: 5517.81, 0.00315984/step Wall: 5517.81, 0.00315984/step, 2.8521 hours remaining, 238.476562 MB of memory in use. ENERGY: 1750600 4006.0769 20558.9675 14485.3471 259.7934 -203434.0394 2665.8289 0.0000 0.0000 52185.0173 -109273.0082 299.9080 -161458.0255 -108911.6511 299.7899 -83.3673 -58.0996 762243.3544 -5.6130 -5.7217 PRESSURE: 1750800 -190.686 -49.8139 -172.872 -49.8137 -224.192 -94.0094 -172.872 -94.0089 -33.0435 GPRESSURE: 1750800 -183.994 27.1736 -260.033 72.7181 -163.824 -79.3853 -234.752 -68.1871 -36.3575 PRESSAVG: 1750800 65.3545 35.0018 31.1993 35.0018 -52.6393 -34.6257 31.1993 -34.6258 -18.8475 GPRESSAVG: 1750800 66.464 34.6969 30.5753 36.8106 -52.2763 -35.6065 30.4504 -34.487 -20.0963 TIMING: 1750800 CPU: 5518.45, 0.00319564/step Wall: 5518.45, 0.00319564/step, 2.88424 hours remaining, 238.476562 MB of memory in use. ENERGY: 1750800 3995.6748 20503.0325 14505.1377 259.9382 -202925.1209 2614.6213 0.0000 0.0000 51874.5739 -109172.1425 298.1239 -161046.7164 -108812.3715 299.7149 -149.3072 -128.0583 763417.4650 -2.0441 -1.9695 PRESSURE: 1751000 47.9804 -184.983 -74.2663 -184.983 132.053 -0.947023 -74.267 -0.946378 -202.102 GPRESSURE: 1751000 99.8518 -148.923 -99.614 -224.836 191.342 -5.74734 -88.6457 -88.4435 -239.161 PRESSAVG: 1751000 4.07886 23.2564 -43.8816 23.2565 2.5176 13.1689 -43.8816 13.1689 -12.7989 GPRESSAVG: 1751000 3.5197 24.7972 -44.2945 21.5666 1.45558 13.5613 -42.2311 14.6221 -10.8507 TIMING: 1751000 CPU: 5519.09, 0.00319723/step Wall: 5519.09, 0.00319723/step, 2.8855 hours remaining, 238.476562 MB of memory in use. ENERGY: 1751000 4019.0741 20546.5252 14492.8077 237.4621 -203154.5196 2578.8140 0.0000 0.0000 52323.3733 -108956.4632 300.7031 -161279.8365 -108597.1484 299.8766 -7.3564 17.3445 762045.9218 -2.0675 -1.9585 PRESSURE: 1751200 315.323 11.9124 45.0608 11.9126 432.084 61.8771 45.0603 61.8763 271.45 GPRESSURE: 1751200 425.069 17.0014 27.6314 43.582 288.463 25.8534 26.1215 32.5985 364.551 PRESSAVG: 1751200 19.9554 -45.4554 -27.6446 -45.4554 -51.9606 0.494646 -27.6446 0.494609 17.9365 GPRESSAVG: 1751200 20.0092 -45.4019 -28.881 -47.045 -52.0358 1.95005 -27.838 0.253608 17.1005 TIMING: 1751200 CPU: 5519.73, 0.00319357/step Wall: 5519.73, 0.00319357/step, 2.88202 hours remaining, 238.476562 MB of memory in use. ENERGY: 1751200 4057.6196 20633.5614 14418.2865 250.2152 -203291.8027 2822.4432 0.0000 0.0000 52152.6426 -108957.0342 299.7220 -161109.6768 -108612.9121 299.9655 339.6188 359.3610 761546.0202 -4.6896 -4.9754 PRESSURE: 1751400 -34.2451 147.201 -65.4362 147.202 -329.561 111.487 -65.4362 111.488 38.2329 GPRESSURE: 1751400 -62.9439 221.205 -157.993 191.916 -210.148 126.241 -90.9072 154.913 30.5716 PRESSAVG: 1751400 -6.13737 -51.7883 -18.0143 -51.7882 -15.4756 54.1256 -18.0142 54.1255 -14.6243 GPRESSAVG: 1751400 -6.09851 -50.0815 -17.0047 -50.3675 -15.1835 51.9513 -19.8648 54.7917 -15.0716 TIMING: 1751400 CPU: 5520.37, 0.00320373/step Wall: 5520.37, 0.00320373/step, 2.89101 hours remaining, 238.476562 MB of memory in use. ENERGY: 1751400 4076.4417 20641.7274 14427.8916 234.5183 -202832.0447 2546.0311 0.0000 0.0000 51962.7532 -108942.6813 298.6307 -160905.4345 -108576.6279 300.3915 -108.5243 -80.8401 761332.7843 -12.0791 -12.1179 PRESSURE: 1751600 -160.212 -75.5958 -67.0064 -75.5954 107.264 -56.1367 -67.0058 -56.1358 -212.645 GPRESSURE: 1751600 -132.952 -42.0419 -26.448 -63.2165 160.957 -69.8115 -5.74277 -39.1197 -211.27 PRESSAVG: 1751600 37.2159 -15.155 -25.266 -15.1549 6.95766 33.0209 -25.266 33.0209 -7.67981 GPRESSAVG: 1751600 37.1128 -16.9523 -23.5082 -14.0374 7.49627 34.3001 -25.1421 34.3962 -8.1983 TIMING: 1751600 CPU: 5521.01, 0.00321919/step Wall: 5521.01, 0.00321919/step, 2.90478 hours remaining, 238.476562 MB of memory in use. ENERGY: 1751600 3996.4988 20489.5972 14494.7785 263.8602 -203323.1630 2450.6708 0.0000 0.0000 52469.8869 -109157.8706 301.5452 -161627.7575 -108781.8892 299.7997 -88.5313 -61.0883 760585.1433 12.1646 12.1369 PRESSURE: 1751800 -135.585 -3.12894 32.202 -3.12827 232.44 23.2574 32.2025 23.2583 -341.48 GPRESSURE: 1751800 -111.627 -10.6737 43.4388 -80.6775 246.794 9.68558 32.0062 -13.1131 -289.211 PRESSAVG: 1751800 7.81659 -42.0187 13.2865 -42.0187 16.2344 29.3634 13.2865 29.3635 15.9903 GPRESSAVG: 1751800 8.28497 -41.7578 13.1627 -43.2024 14.7011 29.0136 14.4468 27.1501 17.2683 TIMING: 1751800 CPU: 5521.66, 0.00322716/step Wall: 5521.66, 0.00322716/step, 2.9118 hours remaining, 238.476562 MB of memory in use. ENERGY: 1751800 3974.3668 20529.0626 14435.9298 251.7663 -202930.8416 2352.4745 0.0000 0.0000 52334.2109 -109053.0306 300.7654 -161387.2415 -108684.6076 299.7659 -81.5416 -51.3482 761538.4822 13.3471 13.4181 PRESSURE: 1752000 -343.731 -59.8984 -92.1355 -59.8989 -273.986 54.9088 -92.1356 54.9091 260.214 GPRESSURE: 1752000 -272.695 -93.1737 -54.9424 -115.972 -308.704 -1.30195 -303.162 64.0961 288.385 PRESSAVG: 1752000 -39.9849 12.6246 31.8293 12.6247 45.3114 28.773 31.8294 28.7729 -26.234 GPRESSAVG: 1752000 -41.3564 12.507 30.495 11.9107 46.562 29.7731 30.3628 31.0143 -26.7288 TIMING: 1752000 CPU: 5522.3, 0.00322008/step Wall: 5522.3, 0.00322008/step, 2.90523 hours remaining, 238.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1752000 4035.8118 20684.9569 14515.3168 251.3107 -203222.8521 2545.0290 0.0000 0.0000 52286.5636 -108903.8632 300.4916 -161190.4268 -108534.9921 299.7187 -119.1678 -97.6712 762720.6872 -6.9691 -7.1744 PRESSURE: 1752200 -96.8951 136.962 127.264 136.963 184.994 -32.9185 127.264 -32.919 338.06 GPRESSURE: 1752200 -21.1446 175.099 51.2106 116.504 173.447 -16.068 21.8368 -140.462 352.417 PRESSAVG: 1752200 -53.6044 -67.0278 -37.6159 -67.0277 20.1762 -21.8794 -37.6159 -21.8793 31.1368 GPRESSAVG: 1752200 -55.2167 -67.5149 -36.8853 -66.7725 21.3608 -23.9353 -38.3531 -22.1848 30.5808 TIMING: 1752200 CPU: 5522.94, 0.00319809/step Wall: 5522.94, 0.00319809/step, 2.88521 hours remaining, 238.476562 MB of memory in use. ENERGY: 1752200 4036.0939 20412.4595 14485.1784 256.1090 -203295.8185 2566.7081 0.0000 0.0000 52401.6091 -109137.6605 301.1528 -161539.2696 -108768.5740 299.8549 142.0530 168.2398 761430.5960 -0.7638 -1.0917 LDB: ============= START OF LOAD BALANCING ============== 5535.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5535.34 LDB: =============== DONE WITH MIGRATION ================ 5535.34 LDB: ============= START OF LOAD BALANCING ============== 5535.66 LDB: Largest compute 7034 load 0.036532 is 18.6% of average load 0.196082 LDB: Average compute 0.004385 is 2.2% of average load 0.196082 LDB: TIME 5535.67 LOAD: AVG 0.196082 MAX 0.222368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 5535.67 LOAD: AVG 0.196082 MAX 0.222368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.445 MB LDB: TIME 5535.67 LOAD: AVG 0.196082 MAX 0.215432 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.445 MB LDB: ============== END OF LOAD BALANCING =============== 5535.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5535.67 PRESSURE: 1752400 -31.083 -135.083 38.1831 -135.084 201.309 -82.6465 38.1828 -82.6473 204.028 GPRESSURE: 1752400 45.6911 -184.205 -28.0943 -153.996 233.188 -210.652 69.8229 37.0338 153.047 PRESSAVG: 1752400 29.7336 -60.3122 -2.13034 -60.3121 -15.519 11.2462 -2.13034 11.2462 -21.3965 GPRESSAVG: 1752400 31.5948 -60.985 -3.54973 -61.5444 -16.5246 11.2541 -0.398262 10.3542 -21.7696 TIMING: 1752400 CPU: 5523.59, 0.00324994/step Wall: 5523.59, 0.00324994/step, 2.93181 hours remaining, 237.328125 MB of memory in use. ENERGY: 1752400 3969.9417 20578.2170 14459.4584 231.9815 -203576.8730 2871.5982 0.0000 0.0000 52197.8492 -109267.8269 299.9818 -161465.6762 -108902.4232 299.9602 124.7515 143.9754 761849.9056 -2.3940 -2.2331 PRESSURE: 1752600 -51.5426 -144.884 -180.986 -144.884 107.292 10.9904 -180.987 10.9891 -94.9297 GPRESSURE: 1752600 16.4087 -152.555 -253.807 -283.718 118.502 -18.4733 -171.434 98.6898 -75.9968 PRESSAVG: 1752600 24.9059 16.6039 -18.264 16.6039 -47.056 7.61292 -18.264 7.61292 11.7144 GPRESSAVG: 1752600 24.5797 19.755 -17.9974 16.4421 -48.0614 7.64941 -18.2358 9.65428 13.0005 TIMING: 1752600 CPU: 5524.24, 0.00322443/step Wall: 5524.24, 0.00322443/step, 2.90862 hours remaining, 237.328125 MB of memory in use. ENERGY: 1752600 3939.6224 20629.2855 14419.7293 252.3992 -203448.5556 2574.7796 0.0000 0.0000 52312.3458 -109320.3939 300.6398 -161632.7396 -108951.7337 299.9813 -13.0602 19.6381 762962.7781 -3.4786 -3.4937 PRESSURE: 1752800 59.3146 -111.494 116.695 -111.494 -185.076 67.1421 116.695 67.142 295.654 GPRESSURE: 1752800 70.9774 -67.4377 105.722 81.051 -96.103 35.0004 63.6442 95.8593 299.369 PRESSAVG: 1752800 -3.31173 -9.61545 -8.40166 -9.61547 -26.27 -17.2925 -8.40164 -17.2924 2.51308 GPRESSAVG: 1752800 -3.50278 -11.8181 -9.16652 -9.96188 -25.2624 -18.1445 -7.34386 -16.9668 1.71604 TIMING: 1752800 CPU: 5524.88, 0.00321348/step Wall: 5524.88, 0.00321348/step, 2.89856 hours remaining, 237.328125 MB of memory in use. ENERGY: 1752800 3990.2699 20452.4122 14459.1883 232.2249 -203581.8463 2648.4957 0.0000 0.0000 52237.5918 -109561.6635 300.2102 -161799.2553 -109193.5738 299.7932 56.6309 91.4146 761073.8973 -9.0229 -9.0164 PRESSURE: 1753000 203.537 -100.916 -33.8486 -100.916 8.6405 146.282 -33.8486 146.282 271.593 GPRESSURE: 1753000 273.572 -199.838 -42.8226 -43.9751 14.3859 72.3165 -68.7813 27.0743 286.126 PRESSAVG: 1753000 13.091 -47.1737 -23.629 -47.1737 -12.762 58.3103 -23.629 58.3102 -5.00435 GPRESSAVG: 1753000 13.1656 -47.042 -22.5105 -46.5281 -12.1245 59.1499 -25.225 55.0082 -5.74314 TIMING: 1753000 CPU: 5525.52, 0.00319528/step Wall: 5525.52, 0.00319528/step, 2.88197 hours remaining, 237.328125 MB of memory in use. ENERGY: 1753000 3969.1482 20673.6161 14401.0116 263.3172 -203542.3478 2778.2159 0.0000 0.0000 52071.6292 -109385.4096 299.2564 -161457.0388 -109031.3090 299.0842 161.2570 191.3612 762656.7913 -1.5584 -1.5673 PRESSURE: 1753200 -338.747 -27.2146 0.327227 -27.2152 -183.95 234.505 0.327946 234.505 -82.7578 GPRESSURE: 1753200 -330.178 -115.211 -44.334 -46.5464 -111.222 318.372 59.7911 109.304 -77.3521 PRESSAVG: 1753200 -6.33238 -5.94276 50.8424 -5.94275 -2.22837 22.8698 50.8424 22.8698 0.297332 GPRESSAVG: 1753200 -7.10632 -6.49827 50.5435 -6.32039 -2.25358 23.3437 52.8908 25.0701 1.33193 TIMING: 1753200 CPU: 5526.16, 0.00319683/step Wall: 5526.16, 0.00319683/step, 2.88319 hours remaining, 237.328125 MB of memory in use. ENERGY: 1753200 3936.2456 20514.4975 14418.6712 245.2726 -202901.4420 2263.4184 0.0000 0.0000 52110.3263 -109413.0104 299.4788 -161523.3367 -109049.8781 299.0733 -201.8182 -172.9173 762397.5996 -2.7545 -2.6760 PRESSURE: 1753400 357.156 -149.926 -146.241 -149.926 -26.3684 100.509 -146.241 100.508 222.252 GPRESSURE: 1753400 347.179 -243.539 -156.306 -256.344 27.7341 -0.125227 -183.112 36.6735 252.074 PRESSAVG: 1753400 7.82239 -47.9703 74.9655 -47.9703 -38.9122 57.5142 74.9655 57.5141 -2.31951 GPRESSAVG: 1753400 8.35336 -47.5519 75.6728 -47.6851 -39.522 55.3941 71.8058 57.3333 -2.71578 TIMING: 1753400 CPU: 5526.8, 0.00319831/step Wall: 5526.8, 0.00319831/step, 2.88434 hours remaining, 237.328125 MB of memory in use. ENERGY: 1753400 3981.2414 20439.0591 14343.2433 229.2104 -202977.1813 2517.7341 0.0000 0.0000 52017.2649 -109449.4280 298.9439 -161466.6930 -109085.4581 299.0814 184.3465 208.9956 761683.5552 -11.1364 -11.2948 PRESSURE: 1753600 -82.0341 75.436 62.785 75.4363 278.23 151.038 62.7841 151.037 32.4465 GPRESSURE: 1753600 7.20334 131.848 70.0082 12.5774 247.642 75.0066 36.207 182.141 53.8296 PRESSAVG: 1753600 20.4389 -61.8418 -34.3528 -61.8418 10.4394 -45.456 -34.3528 -45.456 13.3896 GPRESSAVG: 1753600 20.0205 -60.4517 -34.9761 -63.121 9.71798 -43.7758 -31.9423 -44.5971 14.6005 TIMING: 1753600 CPU: 5527.44, 0.00318838/step Wall: 5527.44, 0.00318838/step, 2.87521 hours remaining, 237.328125 MB of memory in use. ENERGY: 1753600 3961.9990 20438.0704 14500.2928 259.1813 -203247.9493 2660.9634 0.0000 0.0000 51948.8270 -109478.6155 298.5506 -161427.4426 -109121.9797 299.3112 76.2140 102.8918 761563.6345 14.7560 14.7797 PRESSURE: 1753800 296.952 35.9921 65.8818 35.9923 58.8205 44.5388 65.8819 44.5389 -378.793 GPRESSURE: 1753800 295.826 -49.3462 61.7966 20.9795 -7.33554 61.0502 -0.866396 93.8438 -242.995 PRESSAVG: 1753800 -20.8594 -9.3076 -13.579 -9.3076 51.3015 -20.9566 -13.579 -20.9565 0.228504 GPRESSAVG: 1753800 -21.2634 -11.9511 -13.408 -7.61715 51.329 -22.7224 -13.9805 -20.2761 0.700532 TIMING: 1753800 CPU: 5528.07, 0.00315952/step Wall: 5528.07, 0.00315952/step, 2.84901 hours remaining, 237.328125 MB of memory in use. ENERGY: 1753800 4018.4703 20670.7481 14491.8881 238.0200 -203469.6568 2569.8339 0.0000 0.0000 51960.9893 -109519.7071 298.6205 -161480.6964 -109159.4767 298.9823 -7.6735 15.1652 762006.2013 10.2235 10.2554 PRESSURE: 1754000 98.1394 -66.5785 139.333 -66.5785 296.737 -62.3509 139.333 -62.351 -158.34 GPRESSURE: 1754000 174.532 12.7991 111.98 -53.6283 290.485 -72.7553 203.794 -60.5511 -156.705 PRESSAVG: 1754000 -18.8758 -54.5194 -53.4405 -54.5194 21.4551 34.5961 -53.4405 34.596 -14.8257 GPRESSAVG: 1754000 -17.6938 -52.0447 -54.5981 -56.7969 21.2823 36.2058 -52.7287 34.9342 -15.9658 TIMING: 1754000 CPU: 5528.7, 0.00316993/step Wall: 5528.7, 0.00316993/step, 2.85822 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1754000 3984.3369 20570.0802 14435.0693 246.0285 -203126.7576 2549.3764 0.0000 0.0000 51692.2806 -109649.5857 297.0762 -161341.8663 -109288.5330 299.0158 78.8455 102.7707 761519.5721 -4.0822 -4.1258 PRESSURE: 1754200 -397.103 -98.1077 -193.851 -98.1075 -193.478 4.36944 -193.851 4.36966 -103.686 GPRESSURE: 1754200 -360.716 -120.369 -107.02 -94.329 -114.366 11.339 -146.535 -0.65647 -112.244 PRESSAVG: 1754200 -0.357915 -0.00955452 -22.4179 -0.00951997 2.34461 2.86538 -22.4178 2.86539 -16.3867 GPRESSAVG: 1754200 -1.02672 -1.36963 -21.7069 1.66882 3.22521 3.57559 -24.1634 2.24771 -16.9413 TIMING: 1754200 CPU: 5529.35, 0.00321979/step Wall: 5529.35, 0.00321979/step, 2.903 hours remaining, 237.328125 MB of memory in use. ENERGY: 1754200 4036.3467 20415.9526 14412.2045 259.2021 -203016.5797 2386.4160 0.0000 0.0000 51777.2597 -109729.1981 297.5646 -161506.4578 -109360.9358 298.3397 -231.4224 -195.7752 762917.3544 -4.8000 -4.9143 PRESSURE: 1754400 284.174 158.205 -1.03631 158.205 8.25376 85.0178 -1.03652 85.0175 202.075 GPRESSURE: 1754400 349.189 170.595 80.5317 229.232 50.1241 97.0972 26.5154 81.5082 196.843 PRESSAVG: 1754400 22.0121 39.7491 30.3399 39.7491 6.26022 -9.34302 30.3398 -9.34303 -15.1421 GPRESSAVG: 1754400 22.3822 40.6956 30.8024 39.3639 5.63728 -10.9211 31.4797 -9.68732 -15.0475 TIMING: 1754400 CPU: 5529.99, 0.00319955/step Wall: 5529.99, 0.00319955/step, 2.88457 hours remaining, 237.328125 MB of memory in use. ENERGY: 1754400 3951.0207 20338.9351 14454.6717 238.3594 -203884.6937 2956.1381 0.0000 0.0000 52049.2663 -109896.3023 299.1278 -161945.5686 -109538.4042 297.8937 164.8343 198.7186 760413.2068 4.3767 4.3240 PRESSURE: 1754600 47.9751 -138.748 -33.5181 -138.748 4.35435 225.599 -33.5185 225.598 209.059 GPRESSURE: 1754600 97.7354 -148.402 34.9791 -155.419 53.6997 234.42 8.38198 9.82001 186.052 PRESSAVG: 1754600 22.7551 -18.7243 -4.05879 -18.7243 -50.7602 -20.6161 -4.05877 -20.616 15.288 GPRESSAVG: 1754600 21.5171 -17.6532 -4.63775 -18.7764 -48.5894 -18.4131 -3.02454 -20.6487 14.4019 TIMING: 1754600 CPU: 5530.62, 0.0031919/step Wall: 5530.62, 0.0031919/step, 2.8775 hours remaining, 237.328125 MB of memory in use. ENERGY: 1754600 3969.4761 20440.0200 14340.7759 237.5082 -203852.7879 3070.0485 0.0000 0.0000 51853.7257 -109941.2336 298.0041 -161794.9592 -109580.8298 297.7254 87.1295 112.4958 761732.7992 -4.2390 -4.2235 PRESSURE: 1754800 25.2077 -137.992 2.83355 -137.992 74.3518 -44.8266 2.83264 -44.8275 -151.598 GPRESSURE: 1754800 61.2699 -147.733 -38.965 -265.324 136.341 -66.1891 23.4599 -21.5278 -191.953 PRESSAVG: 1754800 48.8085 -23.2603 8.99618 -23.2603 -56.9624 -1.20066 8.99624 -1.20074 20.4444 GPRESSAVG: 1754800 50.2008 -23.6508 8.43395 -23.4503 -58.5673 -1.09051 9.18936 -0.766862 20.4937 TIMING: 1754800 CPU: 5531.26, 0.00317159/step Wall: 5531.26, 0.00317159/step, 2.85901 hours remaining, 237.328125 MB of memory in use. ENERGY: 1754800 4047.3904 20560.3380 14390.8753 232.0882 -203680.5549 2708.2363 0.0000 0.0000 51786.0531 -109955.5736 297.6152 -161741.6268 -109593.2043 297.7992 -17.3463 1.8860 760474.4181 4.0968 4.0424 PRESSURE: 1755000 -67.655 -52.1963 -21.3854 -52.197 107.106 -33.2821 -21.3859 -33.2813 3.43636 GPRESSURE: 1755000 -17.8006 -97.1241 88.6631 62.2809 72.9368 -44.0787 -47.6717 -31.3171 69.7493 PRESSAVG: 1755000 24.0549 -20.0501 -9.21338 -20.0501 -28.2564 -7.80179 -9.21349 -7.80179 1.04689 GPRESSAVG: 1755000 24.0885 -20.5712 -7.44386 -20.4002 -29.0415 -7.56641 -10.481 -9.55318 2.15625 TIMING: 1755000 CPU: 5531.89, 0.00318147/step Wall: 5531.89, 0.00318147/step, 2.86774 hours remaining, 237.328125 MB of memory in use. ENERGY: 1755000 3991.8999 20434.5717 14403.2077 248.4153 -203742.6044 2770.5642 0.0000 0.0000 51975.7338 -109918.2119 298.7053 -161893.9457 -109555.8735 298.3418 14.2958 41.6285 760254.2164 -1.0515 -0.9322 PRESSURE: 1755200 -312.657 -149.19 -5.64593 -149.19 -430.015 -163.041 -5.6454 -163.042 -372.009 GPRESSURE: 1755200 -255.499 -107.34 -32.499 -184.78 -358.322 -153.725 7.40428 -186.337 -399.948 PRESSAVG: 1755200 4.19111 -5.53242 3.30391 -5.53244 1.97265 -17.4464 3.30391 -17.4464 -25.8728 GPRESSAVG: 1755200 3.77477 -6.00739 1.63492 -5.89263 2.4308 -19.9644 4.25828 -15.9989 -25.7681 TIMING: 1755200 CPU: 5532.54, 0.00320471/step Wall: 5532.54, 0.00320471/step, 2.88851 hours remaining, 237.328125 MB of memory in use. ENERGY: 1755200 3980.2613 20487.1921 14418.1393 241.2967 -203393.3120 2510.7179 0.0000 0.0000 51832.8702 -109922.8345 297.8842 -161755.7047 -109564.8779 297.8690 -371.5601 -337.9229 761709.6141 -6.5697 -6.5208 PRESSURE: 1755400 91.4838 20.2016 -83.6309 20.2016 -83.9019 263.66 -83.6318 263.66 -76.8099 GPRESSURE: 1755400 72.7241 35.3409 -29.051 32.5851 -12.1856 183.945 69.2682 207.684 -39.5352 PRESSAVG: 1755400 31.6042 -10.6155 1.17542 -10.6155 -10.0087 1.01778 1.17541 1.01774 -7.49577 GPRESSAVG: 1755400 31.1127 -11.3882 2.52033 -10.3757 -8.10336 1.27453 1.6086 -0.615538 -8.92206 TIMING: 1755400 CPU: 5533.17, 0.00317813/step Wall: 5533.17, 0.00317813/step, 2.86438 hours remaining, 237.328125 MB of memory in use. ENERGY: 1755400 4048.4581 20511.2715 14356.3109 254.6969 -203689.2268 2601.1969 0.0000 0.0000 51925.7630 -109991.5294 298.4181 -161917.2924 -109628.5774 298.3953 -23.0760 7.0011 762911.1882 4.6999 4.6958 PRESSURE: 1755600 -159.457 -78.4161 121.502 -78.4166 -535.869 136.483 121.503 136.482 -135.1 GPRESSURE: 1755600 -176.401 133.995 101.359 -15.886 -457.471 186.541 65.9826 124.715 -124.371 PRESSAVG: 1755600 39.9178 -8.62764 31.9855 -8.62767 -50.8985 26.2458 31.9854 26.2458 -2.03307 GPRESSAVG: 1755600 40.0242 -6.60454 30.5291 -8.40619 -53.4204 27.2523 30.4241 24.9816 -0.303372 TIMING: 1755600 CPU: 5533.81, 0.00318372/step Wall: 5533.81, 0.00318373/step, 2.86925 hours remaining, 237.328125 MB of memory in use. ENERGY: 1755600 3971.7985 20589.2093 14489.9067 264.2278 -203368.3538 2394.9575 0.0000 0.0000 52008.6407 -109649.6133 298.8944 -161658.2540 -109290.4204 298.7636 -276.8089 -252.7476 761903.8306 -4.3379 -4.5665 PRESSURE: 1755800 -57.4003 -155.343 -194.404 -155.344 -255.459 -34.2637 -194.406 -34.2639 -4.84153 GPRESSURE: 1755800 29.5205 -190.414 -124.607 -157.663 -215.585 -78.3153 -123.086 -87.5643 -74.0246 PRESSAVG: 1755800 68.1354 -12.5401 0.492707 -12.54 -32.1303 30.5447 0.492701 30.5447 2.37493 GPRESSAVG: 1755800 67.4806 -14.5911 1.14418 -11.6158 -30.0022 29.9962 1.42348 32.109 1.16582 TIMING: 1755800 CPU: 5534.45, 0.00320544/step Wall: 5534.45, 0.00320544/step, 2.88864 hours remaining, 237.328125 MB of memory in use. ENERGY: 1755800 4070.1232 20433.9599 14506.9038 244.5288 -203448.7113 2619.7862 0.0000 0.0000 51800.7252 -109772.6842 297.6995 -161573.4095 -109408.3885 298.5064 -105.9003 -86.6965 761863.6543 12.7934 12.8814 PRESSURE: 1756000 -208.112 134.421 -80.3531 134.42 -155.827 -11.7816 -80.3529 -11.7806 232.681 GPRESSURE: 1756000 -123.867 117.534 -161.374 56.1402 -133.329 109.067 -2.6845 66.0277 212.899 PRESSAVG: 1756000 -0.441383 -40.5353 -21.2476 -40.5353 -24.5906 4.65172 -21.2476 4.65166 -7.28157 GPRESSAVG: 1756000 0.38928 -38.6545 -21.7796 -42.8293 -24.7913 4.89113 -23.6716 6.54344 -7.33576 TIMING: 1756000 CPU: 5535.09, 0.0031886/step Wall: 5535.09, 0.0031886/step, 2.87328 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1756000 4065.7960 20491.5737 14433.2158 242.9337 -203453.1571 2477.5412 0.0000 0.0000 51843.3623 -109898.7345 297.9445 -161742.0968 -109545.6951 298.0927 -43.7526 -14.7658 761143.4948 -10.7712 -10.5792 PRESSURE: 1756200 200.076 118.077 -228.474 118.078 -43.2705 145.705 -228.475 145.705 25.1422 GPRESSURE: 1756200 175.703 12.6599 -238.918 18.5462 29.8441 126.75 -165.56 86.2527 79.544 PRESSAVG: 1756200 -6.7602 -45.6631 -5.94001 -45.6631 -22.6992 68.7364 -5.94001 68.7363 39.38 GPRESSAVG: 1756200 -6.59698 -46.7259 -6.51829 -44.7292 -23.2509 68.2163 -3.82069 67.6839 40.0657 TIMING: 1756200 CPU: 5535.72, 0.00316801/step Wall: 5535.72, 0.00316801/step, 2.85456 hours remaining, 237.328125 MB of memory in use. ENERGY: 1756200 3999.4644 20382.4770 14485.3848 258.4191 -203592.6994 2571.0545 0.0000 0.0000 51934.3695 -109961.5300 298.4675 -161895.8996 -109594.7921 298.6645 60.6492 95.0304 761068.4495 3.3069 3.4060 LDB: ============= START OF LOAD BALANCING ============== 5548.12 LDB: ============== END OF LOAD BALANCING =============== 5548.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5548.12 LDB: ============= START OF LOAD BALANCING ============== 5548.44 LDB: Largest compute 7034 load 0.036557 is 18.7% of average load 0.195963 LDB: Average compute 0.004377 is 2.2% of average load 0.195963 LDB: TIME 5548.45 LOAD: AVG 0.195963 MAX 0.216407 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.098 MB LDB: TIME 5548.45 LOAD: AVG 0.195963 MAX 0.216407 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.137 MB LDB: TIME 5548.45 LOAD: AVG 0.195963 MAX 0.216407 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.137 MB LDB: ============== END OF LOAD BALANCING =============== 5548.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5548.45 PRESSURE: 1756400 -19.8371 15.333 -29.8339 15.3339 121.962 -57.8626 -29.8327 -57.8614 -133.02 GPRESSURE: 1756400 60.5921 87.8447 -72.7407 86.4754 67.2323 49.9997 -94.7378 -39.9931 -79.9927 PRESSAVG: 1756400 3.39281 -3.1406 -11.1674 -3.14066 28.7115 34.0368 -11.1674 34.0368 11.2183 GPRESSAVG: 1756400 3.82807 -0.878677 -9.18029 -4.24475 27.8006 34.9812 -10.9701 32.9631 11.3717 TIMING: 1756400 CPU: 5536.37, 0.00325743/step Wall: 5536.37, 0.00325743/step, 2.93494 hours remaining, 237.839844 MB of memory in use. ENERGY: 1756400 4018.2019 20593.9604 14463.4826 243.2256 -203580.9354 2752.5087 0.0000 0.0000 51767.7682 -109741.7879 297.5101 -161509.5561 -109378.9394 298.4415 -10.2986 15.9439 761474.8151 14.4408 14.3335 PRESSURE: 1756600 -178.046 -178.297 -148.114 -178.297 -88.8718 -62.8052 -148.113 -62.8046 -250.878 GPRESSURE: 1756600 -107.07 -147.845 -109.158 -108.848 -34.8418 -19.4164 -97.2052 -122.003 -291.442 PRESSAVG: 1756600 2.71438 -8.58592 -4.84535 -8.58591 -19.8314 -17.0548 -4.84537 -17.0548 -19.2924 GPRESSAVG: 1756600 2.47267 -10.6975 -5.64372 -6.12568 -19.1668 -17.276 -4.08723 -16.9414 -19.1069 TIMING: 1756600 CPU: 5537.01, 0.00321273/step Wall: 5537.01, 0.00321274/step, 2.8945 hours remaining, 238.042969 MB of memory in use. ENERGY: 1756600 3963.1232 20586.7492 14408.0689 256.4075 -203650.8238 2734.0470 0.0000 0.0000 52146.7024 -109555.7258 299.6878 -161702.4281 -109179.7441 298.9533 -172.5988 -144.4512 761636.0050 -12.1365 -11.9337 PRESSURE: 1756800 60.9214 140.12 -189.087 140.12 38.1797 -348.11 -189.087 -348.11 234.516 GPRESSURE: 1756800 58.2434 140.799 -194.866 169.675 77.601 -425.467 -204.287 -320.053 276.205 PRESSAVG: 1756800 3.87897 -4.86925 -37.7967 -4.86929 -12.0127 16.0811 -37.7966 16.0811 -3.5301 GPRESSAVG: 1756800 4.55559 -4.59414 -38.325 -5.44946 -12.2226 15.1465 -39.0513 16.1603 -4.17556 TIMING: 1756800 CPU: 5537.66, 0.00321776/step Wall: 5537.66, 0.00321776/step, 2.89885 hours remaining, 238.042969 MB of memory in use. ENERGY: 1756800 3994.6207 20443.4883 14448.5369 235.6932 -203265.0176 2788.0285 0.0000 0.0000 51951.5128 -109403.1373 298.5661 -161354.6500 -109041.6795 299.4279 111.2058 137.3499 760956.4834 -3.8879 -3.9475 PRESSURE: 1757000 -120.82 -68.6934 133.727 -68.6929 58.1605 44.9602 133.727 44.9605 179.417 GPRESSURE: 1757000 -46.3008 -88.0792 133.211 -221.196 66.8003 144.225 25.0372 57.551 168.855 PRESSAVG: 1757000 17.1659 6.55076 -12.6393 6.5507 -27.0712 -38.7635 -12.6393 -38.7634 4.23379 GPRESSAVG: 1757000 16.9161 6.96005 -13.0826 6.24121 -26.5263 -38.2489 -11.3965 -39.2277 3.63372 TIMING: 1757000 CPU: 5538.29, 0.00318056/step Wall: 5538.29, 0.00318056/step, 2.86516 hours remaining, 238.042969 MB of memory in use. ENERGY: 1757000 3988.6729 20514.3345 14460.5466 248.2919 -202995.9501 2417.8425 0.0000 0.0000 51925.1846 -109441.0771 298.4147 -161366.2618 -109079.0079 299.1336 38.9190 63.1183 760974.2371 -1.8905 -1.9922 PRESSURE: 1757200 149.383 21.3657 -117.185 21.3657 -27.4868 -227.384 -117.185 -227.384 -166.598 GPRESSURE: 1757200 90.744 2.6559 -132.661 79.7621 59.4375 -241.821 -122.333 -189.587 -97.4477 PRESSAVG: 1757200 20.5378 46.256 13.4586 46.256 -19.555 -0.899035 13.4587 -0.899042 26.6047 GPRESSAVG: 1757200 21.6465 44.8719 16.2997 47.2196 -21.4951 -0.750339 12.4163 -0.94235 27.8294 TIMING: 1757200 CPU: 5538.93, 0.00317784/step Wall: 5538.93, 0.00317784/step, 2.86253 hours remaining, 238.042969 MB of memory in use. ENERGY: 1757200 3981.3508 20281.6271 14475.8738 248.7538 -203206.7705 2419.2072 0.0000 0.0000 52189.1549 -109610.8029 299.9318 -161799.9578 -109248.9352 298.9321 -14.9007 17.5779 760998.2647 9.1958 9.3269 PRESSURE: 1757400 -102.617 71.2583 51.2845 71.2586 156.945 41.2746 51.2845 41.2753 -237.297 GPRESSURE: 1757400 -25.3189 -27.852 18.1073 44.2076 142.671 49.3776 -38.9219 78.3006 -230.439 PRESSAVG: 1757400 20.5762 -40.9698 1.843 -40.9698 -20.2092 -19.0581 1.843 -19.0582 -3.1384 GPRESSAVG: 1757400 19.7782 -39.7052 0.181506 -40.9492 -18.5235 -18.4077 1.22397 -20.9233 -4.00185 TIMING: 1757400 CPU: 5539.56, 0.0031709/step Wall: 5539.56, 0.00317091/step, 2.8561 hours remaining, 238.042969 MB of memory in use. ENERGY: 1757400 3936.2123 20656.0272 14413.6916 255.3279 -203225.2981 2208.0162 0.0000 0.0000 52192.8017 -109563.2213 299.9527 -161756.0230 -109202.0735 299.1586 -60.9899 -37.6958 762020.9605 -0.9238 -0.9157 PRESSURE: 1757600 -322.158 -48.6641 86.7206 -48.6643 -61.8237 -184.869 86.7215 -184.869 -21.0276 GPRESSURE: 1757600 -214.361 -133.046 84.2623 -103.504 -55.7936 -97.4404 118.407 -234.855 -50.4508 PRESSAVG: 1757600 -37.7921 -44.4075 -8.96601 -44.4076 55.959 -11.3725 -8.96607 -11.3725 -4.84323 GPRESSAVG: 1757600 -36.8694 -43.4363 -8.70544 -45.4781 55.7356 -13.1158 -8.25878 -8.13133 -4.8169 TIMING: 1757600 CPU: 5540.21, 0.00320703/step Wall: 5540.21, 0.00320703/step, 2.88847 hours remaining, 238.042969 MB of memory in use. ENERGY: 1757600 3971.1865 20634.8673 14493.7458 250.0969 -202877.2344 2300.0443 0.0000 0.0000 51686.2439 -109541.0497 297.0416 -161227.2936 -109180.2919 298.7820 -135.0030 -106.8684 761469.1154 4.4412 4.6831 PRESSURE: 1757800 -184.231 346.72 -4.64675 346.72 -283.369 31.6571 -4.64593 31.6566 -329.551 GPRESSURE: 1757800 -154.037 199.42 -25.5355 316.7 -214.771 42.8385 73.4142 87.6264 -350.068 PRESSAVG: 1757800 -20.6456 -20.4333 -16.6878 -20.4332 12.7913 5.09187 -16.6877 5.09193 36.0284 GPRESSAVG: 1757800 -21.2183 -21.7769 -17.0192 -20.224 13.1028 5.43314 -17.8849 4.71605 36.3239 TIMING: 1757800 CPU: 5540.85, 0.00320657/step Wall: 5540.85, 0.00320657/step, 2.88787 hours remaining, 238.042969 MB of memory in use. ENERGY: 1757800 3990.7383 20371.5442 14503.5626 271.4377 -203178.8525 2292.7193 0.0000 0.0000 51982.1048 -109766.7455 298.7419 -161748.8503 -109393.6071 298.6343 -265.7168 -239.6251 761680.2794 9.3913 9.4028 PRESSURE: 1758000 -351.275 -60.1597 -259.226 -60.1598 -196.374 99.5627 -259.226 99.5611 -436.399 GPRESSURE: 1758000 -258.841 -43.1715 -211.575 -0.908292 -221.134 1.75118 -264.401 121.585 -414.288 PRESSAVG: 1758000 -11.4975 -15.762 -20.5455 -15.7621 40.4296 4.16915 -20.5455 4.16909 7.94044 GPRESSAVG: 1758000 -10.1728 -13.9913 -20.064 -15.3867 40.0895 6.01715 -19.4702 4.50363 7.39399 TIMING: 1758000 CPU: 5541.48, 0.00318975/step Wall: 5541.48, 0.00318975/step, 2.87255 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1758000 4047.4739 20442.7524 14422.7385 246.7284 -203284.0260 2477.2199 0.0000 0.0000 51856.0549 -109791.0579 298.0175 -161647.1129 -109430.5722 298.4676 -328.0159 -298.0877 760643.9144 12.2909 12.4369 PRESSURE: 1758200 -12.6739 -32.1279 -243.513 -32.128 -248.039 -167.285 -243.514 -167.286 -279.238 GPRESSURE: 1758200 5.28061 -106.079 -252.247 -50.6603 -154.833 -182.597 -110.402 -126.885 -285.802 PRESSAVG: 1758200 -38.3606 2.09672 -53.5185 2.0967 0.0929897 -2.57471 -53.5185 -2.5747 -1.13872 GPRESSAVG: 1758200 -38.8536 0.607333 -53.3313 1.34516 0.699281 -2.64192 -53.9695 -4.09852 -0.889849 TIMING: 1758200 CPU: 5542.12, 0.00318927/step Wall: 5542.12, 0.00318927/step, 2.87194 hours remaining, 238.042969 MB of memory in use. ENERGY: 1758200 4004.9024 20349.8435 14361.2596 237.4385 -203153.6505 2447.7212 0.0000 0.0000 51957.3023 -109795.1830 298.5993 -161752.4852 -109444.6208 298.6084 -179.9835 -145.1181 761160.7538 -13.1354 -13.0147 PRESSURE: 1758400 196.343 -208.051 0.95363 -208.051 -22.0476 -105.433 0.953434 -105.433 -54.6818 GPRESSURE: 1758400 294.894 -192.798 -59.2597 -156.461 44.4434 -70.5196 -34.1451 -153.785 -125.471 PRESSAVG: 1758400 64.8018 -2.05518 8.77055 -2.05518 -48.7964 -2.01638 8.77055 -2.01633 -20.773 GPRESSAVG: 1758400 64.5733 -1.75259 8.29502 -0.96291 -48.7448 -2.85656 9.16645 -1.32683 -20.8079 TIMING: 1758400 CPU: 5542.76, 0.00321025/step Wall: 5542.76, 0.00321025/step, 2.89066 hours remaining, 238.042969 MB of memory in use. ENERGY: 1758400 3906.3316 20370.9664 14438.6247 258.2909 -203701.6021 2641.0648 0.0000 0.0000 52243.2681 -109843.0558 300.2428 -162086.3239 -109473.0286 298.2462 39.8711 71.2887 760739.2769 -1.5892 -1.6598 PRESSURE: 1758600 142.364 3.33858 160.835 3.33872 253.245 -79.6042 160.835 -79.6049 -194.106 GPRESSURE: 1758600 208.845 102.159 131.342 0.940046 302.038 -0.641913 66.3029 -21.0702 -240.213 PRESSAVG: 1758600 -8.94643 -13.5983 -21.4008 -13.5983 34.4232 -54.4361 -21.4008 -54.436 -4.96904 GPRESSAVG: 1758600 -7.76141 -12.8993 -21.8594 -12.6111 33.7852 -55.7248 -20.6819 -53.4816 -5.74987 TIMING: 1758600 CPU: 5543.41, 0.00322433/step Wall: 5543.41, 0.00322433/step, 2.90315 hours remaining, 238.042969 MB of memory in use. ENERGY: 1758600 3861.7173 20427.6947 14463.7561 243.4775 -203417.9418 2610.5464 0.0000 0.0000 52036.8895 -109773.8603 299.0567 -161810.7497 -109407.0482 298.7957 67.1676 90.2235 762098.7917 6.8359 6.7580 PRESSURE: 1758800 -386.108 -136.221 28.1809 -136.221 -178.853 19.4107 28.1802 19.411 27.4853 GPRESSURE: 1758800 -295.075 -144.781 -16.3621 -185.962 -107.896 53.3241 135.787 -64.6132 -60.4643 PRESSAVG: 1758800 -52.8388 -55.0761 -6.92888 -55.0761 33.4029 16.975 -6.92892 16.9751 -6.92916 GPRESSAVG: 1758800 -54.1617 -55.3136 -7.45457 -57.1825 33.0144 18.0777 -5.98385 14.8501 -5.08998 TIMING: 1758800 CPU: 5544.05, 0.00320119/step Wall: 5544.05, 0.00320119/step, 2.88214 hours remaining, 238.042969 MB of memory in use. ENERGY: 1758800 3980.2277 20446.2348 14466.5039 235.0886 -203382.0972 2520.3561 0.0000 0.0000 51886.5532 -109847.1328 298.1927 -161733.6860 -109499.4003 298.5958 -179.1588 -154.4785 760799.7587 -8.7884 -8.7458 PRESSURE: 1759000 -66.1985 1.74022 111.156 1.74045 277.462 172.15 111.156 172.15 99.7635 GPRESSURE: 1759000 -2.54614 9.46803 92.9825 19.5046 311.41 121.586 16.9111 156.914 89.7447 PRESSAVG: 1759000 33.1373 -66.2932 10.7406 -66.2932 -21.5241 30.5608 10.7406 30.5608 8.75955 GPRESSAVG: 1759000 33.0948 -66.2522 11.011 -67.0736 -20.799 32.146 9.23757 31.9463 7.95274 TIMING: 1759000 CPU: 5544.69, 0.00317948/step Wall: 5544.69, 0.00317948/step, 2.86241 hours remaining, 238.042969 MB of memory in use. ENERGY: 1759000 3876.5788 20471.2518 14466.7372 247.0242 -203486.0375 2627.8913 0.0000 0.0000 52009.0717 -109787.4824 298.8969 -161796.5541 -109428.2191 298.4748 103.6756 132.8695 762604.9012 6.7909 6.7495 PRESSURE: 1759200 -157.614 10.729 -68.9955 10.7284 249.68 71.5104 -68.9953 71.5108 64.0649 GPRESSURE: 1759200 -162.373 24.7264 -32.1318 91.5807 262.379 3.84318 -21.7169 -61.1874 121.276 PRESSAVG: 1759200 32.7211 -12.76 -8.79113 -12.7599 11.5381 -17.201 -8.79113 -17.201 25.1004 GPRESSAVG: 1759200 31.8551 -13.1018 -7.92556 -10.0713 12.9895 -17.8428 -8.01193 -18.4204 24.2485 TIMING: 1759200 CPU: 5545.32, 0.00318937/step Wall: 5545.32, 0.00318936/step, 2.87114 hours remaining, 238.042969 MB of memory in use. ENERGY: 1759200 3865.7466 20426.2964 14489.3321 240.9111 -203613.7093 2755.9934 0.0000 0.0000 52012.5739 -109822.8557 298.9170 -161835.4296 -109448.8881 298.9179 52.0439 73.7606 761987.2960 23.1199 23.0310 PRESSURE: 1759400 -326.271 97.1182 143.159 97.1168 -215.064 -192.894 143.159 -192.893 -97.1448 GPRESSURE: 1759400 -264.107 23.2561 147.137 58.7373 -219.89 -172.17 24.6172 -108.546 -62.361 PRESSAVG: 1759400 -22.213 3.5966 3.13191 3.59659 41.9263 -25.2745 3.13201 -25.2744 -16.5956 GPRESSAVG: 1759400 -21.3818 4.16558 2.37805 1.58616 40.8156 -26.1763 3.8482 -23.1835 -15.5282 TIMING: 1759400 CPU: 5545.97, 0.00321496/step Wall: 5545.97, 0.00321496/step, 2.894 hours remaining, 238.042969 MB of memory in use. ENERGY: 1759400 3987.0296 20549.7449 14434.8168 224.5033 -203149.4578 2403.2825 0.0000 0.0000 51693.4051 -109856.6756 297.0827 -161550.0807 -109509.9982 298.4855 -212.8263 -182.1192 762723.4360 1.0392 1.3018 PRESSURE: 1759600 223.513 52.0924 6.27777 52.0925 271.797 -146.492 6.27777 -146.493 -125.818 GPRESSURE: 1759600 239.639 -169.5 -31.3694 66.238 229.702 -128.585 -73.1543 -131.233 -32.8901 PRESSAVG: 1759600 -63.3283 -23.4761 -24.2254 -23.4761 53.2033 16.4729 -24.2255 16.4729 -4.4092 GPRESSAVG: 1759600 -63.0568 -25.7994 -23.7052 -22.0259 52.8765 15.0845 -26.4298 16.3786 -4.36023 TIMING: 1759600 CPU: 5546.61, 0.00320532/step Wall: 5546.61, 0.00320532/step, 2.88514 hours remaining, 238.042969 MB of memory in use. ENERGY: 1759600 3923.0362 20339.4665 14447.9439 236.2012 -203628.4553 2792.1749 0.0000 0.0000 51891.1201 -109998.5125 298.2190 -161889.6326 -109634.7363 297.8151 123.1639 145.4833 762014.6562 -4.8447 -4.8468 PRESSURE: 1759800 160.384 -100.357 -92.6638 -100.359 102.608 45.1925 -92.6638 45.1933 -132.386 GPRESSURE: 1759800 289.169 7.5868 -117.058 21.5079 145.859 35.7 28.9148 23.3871 -206.789 PRESSAVG: 1759800 -14.2106 -10.1607 -28.1357 -10.1607 27.0906 -10.6438 -28.1358 -10.6438 16.4085 GPRESSAVG: 1759800 -13.057 -8.99571 -26.8825 -9.99171 26.5011 -8.97644 -27.4455 -10.5994 16.2273 TIMING: 1759800 CPU: 5547.24, 0.00318725/step Wall: 5547.24, 0.00318725/step, 2.86871 hours remaining, 238.042969 MB of memory in use. ENERGY: 1759800 3984.4200 20462.5740 14393.2931 245.7117 -203372.3847 2498.0223 0.0000 0.0000 51876.3389 -109912.0248 298.1340 -161788.3637 -109552.2951 297.9127 43.5352 76.0796 761108.0123 9.7628 9.8905 PRESSURE: 1760000 -298.32 92.3855 -167.801 92.3852 -73.1356 86.5366 -167.801 86.5373 155.592 GPRESSURE: 1760000 -312.937 127.185 -140.835 -73.8961 36.6947 93.7225 -173.671 55.3719 160.525 PRESSAVG: 1760000 -2.94797 -36.5133 -13.8109 -36.5133 21.7422 0.759958 -13.811 0.759953 -15.4788 GPRESSAVG: 1760000 -4.4739 -36.5188 -15.5401 -36.2155 22.8526 -0.435155 -11.1679 -0.518865 -15.0333 TIMING: 1760000 CPU: 5547.88, 0.00319555/step Wall: 5547.88, 0.00319555/step, 2.876 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1760000 3969.5344 20414.6783 14437.9930 256.4836 -203434.1012 2683.3094 0.0000 0.0000 51834.3921 -109837.7105 297.8930 -161672.1026 -109481.2216 298.2190 -71.9542 -38.5723 761921.7804 1.1051 1.1151 PRESSURE: 1760200 -339.023 -55.9669 126.541 -55.9667 -7.10987 -86.8404 126.542 -86.8396 -64.6012 GPRESSURE: 1760200 -119.699 41.6258 178.193 44.2088 7.07974 62.9174 29.1446 -69.7411 -194.474 PRESSAVG: 1760200 -18.1057 -8.95916 8.5848 -8.95912 -36.0316 33.7742 8.58479 33.7743 5.47079 GPRESSAVG: 1760200 -16.7202 -9.19381 10.3147 -10.7813 -36.5581 34.0505 4.95228 35.7901 4.2996 TIMING: 1760200 CPU: 5548.52, 0.00318416/step Wall: 5548.52, 0.00318416/step, 2.86557 hours remaining, 238.042969 MB of memory in use. ENERGY: 1760200 3975.1641 20516.2491 14390.1261 245.7093 -203484.0437 2791.9426 0.0000 0.0000 51825.1212 -109739.7314 297.8397 -161564.8526 -109388.9581 298.3316 -136.9115 -102.3646 763319.8587 -16.2222 -16.3262 LDB: ============= START OF LOAD BALANCING ============== 5560.92 LDB: ============== END OF LOAD BALANCING =============== 5560.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5560.93 LDB: ============= START OF LOAD BALANCING ============== 5561.25 LDB: Largest compute 7062 load 0.034443 is 17.6% of average load 0.195935 LDB: Average compute 0.004376 is 2.2% of average load 0.195935 LDB: TIME 5561.25 LOAD: AVG 0.195935 MAX 0.216821 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 5561.25 LOAD: AVG 0.195935 MAX 0.216821 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 5561.25 LOAD: AVG 0.195935 MAX 0.216821 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 5561.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5561.26 PRESSURE: 1760400 10.6111 -77.911 -311.459 -77.9106 105.724 24.8505 -311.459 24.8509 -157.684 GPRESSURE: 1760400 83.5387 -19.9693 -261.929 -125.767 67.2636 47.1995 -415.459 -67.1307 -107.371 PRESSAVG: 1760400 1.01672 -12.8741 -31.2881 -12.8741 -21.3886 -69.443 -31.2881 -69.443 -15.2971 GPRESSAVG: 1760400 -0.320144 -11.6716 -31.8999 -12.1165 -21.5209 -68.9476 -33.002 -70.86 -13.7098 TIMING: 1760400 CPU: 5549.17, 0.00326776/step Wall: 5549.17, 0.00326776/step, 2.94062 hours remaining, 239.121094 MB of memory in use. ENERGY: 1760400 4024.9258 20456.7953 14414.9194 243.7963 -203071.0249 2500.0069 0.0000 0.0000 51852.6233 -109577.9579 297.9977 -161430.5812 -109210.0600 298.5155 -13.7828 14.4773 763170.4512 -11.8896 -11.8503 PRESSURE: 1760600 -8.49484 -233.36 -11.8471 -233.361 -308.618 92.874 -11.8471 92.8748 -601.165 GPRESSURE: 1760600 38.8426 -249.602 23.6527 -165.139 -318.524 144.677 65.2225 -71.4725 -541.058 PRESSAVG: 1760600 3.80736 -13.8446 -37.9723 -13.8446 8.97178 -27.3563 -37.9724 -27.3563 -37.5501 GPRESSAVG: 1760600 3.74172 -14.4489 -39.0103 -14.27 9.19906 -24.6875 -34.6923 -29.0636 -37.7836 TIMING: 1760600 CPU: 5549.82, 0.0032247/step Wall: 5549.82, 0.0032247/step, 2.9017 hours remaining, 239.324219 MB of memory in use. ENERGY: 1760600 4022.1810 20451.3500 14452.2129 250.3184 -203688.5584 2678.9672 0.0000 0.0000 51804.2747 -110029.2541 297.7199 -161833.5288 -109661.6866 298.4198 -306.0926 -273.5798 761045.8428 -8.2570 -8.2809 PRESSURE: 1760800 -315.842 53.3443 -136.546 53.3456 -36.0353 71.3698 -136.546 71.37 -242.681 GPRESSURE: 1760800 -270.266 19.2889 -45.1584 102.896 62.0255 48.5079 -101.345 79.7358 -293.439 PRESSAVG: 1760800 4.89551 10.9183 13.8526 10.9183 0.0835129 -13.1291 13.8526 -13.1291 -9.55787 GPRESSAVG: 1760800 4.63895 11.3554 14.6288 10.997 -0.529245 -14.993 13.321 -10.8035 -9.03091 TIMING: 1760800 CPU: 5550.46, 0.00319877/step Wall: 5550.46, 0.00319877/step, 2.87819 hours remaining, 239.324219 MB of memory in use. ENERGY: 1760800 3927.8788 20462.9436 14410.7634 258.8625 -203704.8162 2519.3988 0.0000 0.0000 51946.5585 -110178.4107 298.5376 -162124.9692 -109823.5156 298.1722 -198.1861 -167.2267 761062.7724 -1.5263 -1.6404 PRESSURE: 1761000 131.561 149.425 -57.2321 149.426 154.455 -20.1231 -57.2331 -20.123 -17.2673 GPRESSURE: 1761000 119.186 251.627 -5.92019 96.3117 197.995 20.0789 -183.089 24.8993 13.6133 PRESSAVG: 1761000 -8.96411 8.52749 26.5531 8.52733 51.6752 -39.3325 26.553 -39.3324 -0.287251 GPRESSAVG: 1761000 -8.42271 8.88956 27.0029 8.05585 51.5236 -39.3546 26.8449 -38.9858 -0.60892 TIMING: 1761000 CPU: 5551.1, 0.00318463/step Wall: 5551.1, 0.00318463/step, 2.86528 hours remaining, 239.324219 MB of memory in use. ENERGY: 1761000 4019.2164 20523.0700 14463.8177 246.0166 -203981.1269 2767.3127 0.0000 0.0000 51926.3928 -110035.3008 298.4217 -161961.6936 -109680.2736 298.1515 89.5829 110.2650 760770.9291 14.1413 14.1640 PRESSURE: 1761200 142.869 253.182 48.8459 253.182 108.474 -135.125 48.8464 -135.127 -245.677 GPRESSURE: 1761200 163.882 232.808 28.3699 214.53 226.361 -86.6324 -29.7993 -51.375 -282.602 PRESSAVG: 1761200 -21.6981 37.4216 17.4859 37.4216 31.8861 -38.4128 17.4859 -38.4128 -4.71698 GPRESSAVG: 1761200 -19.8418 36.7445 17.1428 39.9983 31.3958 -38.1005 15.3809 -37.5844 -5.53391 TIMING: 1761200 CPU: 5551.73, 0.00319057/step Wall: 5551.73, 0.00319057/step, 2.87045 hours remaining, 239.324219 MB of memory in use. ENERGY: 1761200 3921.2869 20461.3511 14454.7809 232.0325 -203414.6693 2687.7323 0.0000 0.0000 51893.1438 -109764.3418 298.2306 -161657.4856 -109402.1072 298.5901 1.8887 35.8805 760231.6416 1.8237 2.0067 PRESSURE: 1761400 -31.2505 177.254 48.5662 177.255 -241.484 -56.9828 48.5656 -56.984 -258.822 GPRESSURE: 1761400 -9.06744 145.016 -6.09067 146.489 -180.53 -76.6037 64.9377 17.5372 -250.287 PRESSAVG: 1761400 77.9113 12.4911 -23.0347 12.4911 -63.4003 -46.3723 -23.0346 -46.3723 -1.09612 GPRESSAVG: 1761400 76.6456 13.996 -24.5933 9.29414 -63.2117 -46.2866 -22.1381 -47.1086 -0.215831 TIMING: 1761400 CPU: 5552.37, 0.00320557/step Wall: 5552.37, 0.00320557/step, 2.88377 hours remaining, 239.324219 MB of memory in use. ENERGY: 1761400 3958.2348 20621.9270 14492.7484 251.1791 -203043.4751 2378.9026 0.0000 0.0000 51838.6297 -109501.8534 297.9173 -161340.4831 -109134.0167 299.1431 -177.1855 -146.6279 760977.7165 4.4716 4.4060 PRESSURE: 1761600 -65.3314 -252.295 -0.123461 -252.295 -135.355 96.4641 -0.123974 96.4642 -276.655 GPRESSURE: 1761600 -44.2927 -238.235 8.83572 -154.968 -24.2771 -4.43737 -76.1341 93.383 -303.964 PRESSAVG: 1761600 42.8041 23.1021 33.696 23.1021 -66.2231 -64.0171 33.696 -64.0171 2.99616 GPRESSAVG: 1761600 43.1312 22.1271 35.0755 24.0619 -66.4172 -64.8601 33.6805 -65.735 2.64236 TIMING: 1761600 CPU: 5553.01, 0.0031544/step Wall: 5553.01, 0.0031544/step, 2.83755 hours remaining, 239.324219 MB of memory in use. ENERGY: 1761600 3957.0704 20450.0418 14374.7482 237.4085 -202992.0671 2122.7964 0.0000 0.0000 52284.6023 -109565.3996 300.4803 -161850.0018 -109199.5530 299.0090 -159.1137 -124.1780 761077.1326 -6.8076 -6.8812 PRESSURE: 1761800 -364.646 63.0992 -154.087 63.0986 -188.016 -134.112 -154.086 -134.112 -12.0013 GPRESSURE: 1761800 -333.132 122.245 -128.909 32.4285 -148.564 -118.073 -123.311 -73.3788 -14.1395 PRESSAVG: 1761800 16.6981 44.7774 -16.2196 44.7774 45.2039 -57.4847 -16.2196 -57.4848 24.7754 GPRESSAVG: 1761800 16.3709 43.4635 -17.1836 45.8191 45.2331 -56.4812 -14.1795 -57.1679 25.1396 TIMING: 1761800 CPU: 5553.64, 0.00318752/step Wall: 5553.64, 0.00318752/step, 2.86717 hours remaining, 239.324219 MB of memory in use. ENERGY: 1761800 3978.4844 20432.5199 14382.7493 269.4086 -203132.3615 2549.2666 0.0000 0.0000 52183.7246 -109336.2081 299.9006 -161519.9327 -108966.8086 299.1351 -188.2210 -165.2782 760971.7447 28.8925 28.9145 PRESSURE: 1762000 70.4964 288.946 -81.2743 288.947 156.037 31.5981 -81.2748 31.5982 332.715 GPRESSURE: 1762000 186.982 264.301 -27.318 136.83 132.566 -4.67729 -97.5746 73.1378 327.297 PRESSAVG: 1762000 12.4986 26.6353 18.0366 26.6354 -32.5148 -20.3355 18.0365 -20.3355 -17.4319 GPRESSAVG: 1762000 12.1508 28.0431 17.7676 26.6847 -32.5687 -22.2204 16.6666 -20.5893 -17.8345 TIMING: 1762000 CPU: 5554.29, 0.0032192/step Wall: 5554.29, 0.0032192/step, 2.89549 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1762000 3987.1611 20478.1645 14484.0395 233.5532 -203085.9325 2507.9414 0.0000 0.0000 52243.6613 -109151.4116 300.2450 -161395.0729 -108781.4637 299.7177 186.4163 215.6151 761341.3353 -12.4827 -12.7508 PRESSURE: 1762200 -123.381 249.419 154.256 249.419 -22.9097 -14.6859 154.256 -14.6856 -89.3966 GPRESSURE: 1762200 -93.9562 284.753 253.675 268.057 -31.8042 51.8898 78.092 113.648 -41.751 PRESSAVG: 1762200 6.69467 24.9446 14.6733 24.9446 -18.0158 48.2176 14.6733 48.2176 6.93872 GPRESSAVG: 1762200 7.00007 26.3751 15.4437 22.8104 -18.9073 49.9963 13.7824 48.0862 6.70983 TIMING: 1762200 CPU: 5554.93, 0.00319401/step Wall: 5554.93, 0.00319401/step, 2.87266 hours remaining, 239.324219 MB of memory in use. ENERGY: 1762200 3983.4837 20721.6076 14454.1401 221.5170 -203048.9604 2388.7514 0.0000 0.0000 51956.4644 -109322.9962 298.5945 -161279.4606 -108971.8861 299.9126 -78.5625 -55.8371 761021.4621 -1.4608 -1.7325 PRESSURE: 1762400 -80.5823 20.0037 -101.432 20.0029 -57.0005 11.1293 -101.432 11.1301 -359.876 GPRESSURE: 1762400 -64.4094 115.171 -175.949 62.8196 -41.4666 8.01207 -21.8198 -51.5642 -290.667 PRESSAVG: 1762400 20.6935 -39.7947 -41.1951 -39.7947 -11.1383 7.44989 -41.1952 7.44984 -10.4667 GPRESSAVG: 1762400 21.1576 -42.6069 -41.7973 -37.9332 -11.3583 5.9087 -40.4496 9.93033 -10.2837 TIMING: 1762400 CPU: 5555.57, 0.00320644/step Wall: 5555.57, 0.00320644/step, 2.88365 hours remaining, 239.324219 MB of memory in use. ENERGY: 1762400 3989.8977 20645.0300 14494.5633 254.3788 -203080.5215 2414.8962 0.0000 0.0000 52177.6043 -109104.1511 299.8654 -161281.7554 -108736.8882 299.5310 -165.8197 -132.1810 761133.7842 -0.3038 -0.1615 PRESSURE: 1762600 -55.267 284.708 -109.172 284.709 6.32578 -24.4756 -109.172 -24.4762 -129.756 GPRESSURE: 1762600 -89.9123 129.658 -207.944 200.27 10.8407 -37.8718 -24.4608 -7.24937 -22.3307 PRESSAVG: 1762600 -18.9871 -9.30453 14.4685 -9.30449 -9.00838 -21.4162 14.4685 -21.4163 33.791 GPRESSAVG: 1762600 -19.1173 -8.66461 15.3089 -10.1591 -7.78913 -20.3525 14.5772 -23.7017 32.9506 TIMING: 1762600 CPU: 5556.2, 0.00318645/step Wall: 5556.2, 0.00318645/step, 2.86551 hours remaining, 239.324219 MB of memory in use. ENERGY: 1762600 4028.7916 20541.5487 14467.6228 268.7993 -203666.0026 2765.9316 0.0000 0.0000 52432.5793 -109160.7294 301.3308 -161593.3086 -108801.9275 300.0951 -59.5657 -33.8007 760804.6595 1.9319 2.0147 PRESSURE: 1762800 -18.061 92.6266 26.2025 92.6267 -332.928 -22.7301 26.2028 -22.7297 120.025 GPRESSURE: 1762800 -10.6972 164.429 -20.9654 84.5008 -219.981 28.9295 66.5095 -142.099 111.319 PRESSAVG: 1762800 -11.8186 -32.1327 7.55132 -32.1327 23.971 16.8252 7.55129 16.8253 -7.72339 GPRESSAVG: 1762800 -12.7887 -31.873 6.87349 -33.0596 23.8486 16.077 9.65087 17.626 -6.26148 TIMING: 1762800 CPU: 5556.85, 0.0032064/step Wall: 5556.85, 0.0032064/step, 2.88327 hours remaining, 239.324219 MB of memory in use. ENERGY: 1762800 3999.6944 20554.3159 14439.7481 242.5110 -203110.8185 2500.2409 0.0000 0.0000 52109.2848 -109265.0233 299.4728 -161374.3082 -108904.2748 299.7945 -76.9880 -39.7864 762367.4490 1.4763 1.5995 PRESSURE: 1763000 -72.5313 -163.75 16.2069 -163.749 20.6148 -146.727 16.2077 -146.727 -350.844 GPRESSURE: 1763000 -51.5906 -68.2085 -62.0554 -92.2403 58.3847 -179.373 47.1854 38.2855 -312.342 PRESSAVG: 1763000 -0.124261 -3.86128 -2.7388 -3.86123 -37.3517 -14.3533 -2.73876 -14.3533 16.0351 GPRESSAVG: 1763000 1.70969 -5.81338 -1.95483 -1.72337 -38.2459 -14.6327 -4.60984 -12.4659 15.6081 TIMING: 1763000 CPU: 5557.48, 0.003187/step Wall: 5557.48, 0.003187/step, 2.86564 hours remaining, 239.324219 MB of memory in use. ENERGY: 1763000 3922.3037 20448.5958 14464.2683 254.8122 -203438.9587 2637.2484 0.0000 0.0000 52289.9911 -109421.7390 300.5113 -161711.7302 -109049.9930 299.9464 -134.2536 -101.8494 761053.3960 -7.1469 -6.9760 PRESSURE: 1763200 -61.2078 -209.726 -48.9232 -209.725 -127.755 51.284 -48.9227 51.2837 -225.775 GPRESSURE: 1763200 -52.21 -89.9938 -37.0898 -104.635 -130.525 30.5967 44.0258 8.6944 -146.676 PRESSAVG: 1763200 -41.4964 30.3211 -14.0544 30.3211 44.7433 -22.6398 -14.0544 -22.6396 -11.9894 GPRESSAVG: 1763200 -43.2492 31.1347 -13.1329 29.563 44.9961 -21.7108 -13.8343 -24.1888 -11.0362 TIMING: 1763200 CPU: 5558.12, 0.00319842/step Wall: 5558.12, 0.00319842/step, 2.87574 hours remaining, 239.324219 MB of memory in use. ENERGY: 1763200 4007.5048 20577.9950 14446.2912 266.8648 -203569.6326 2400.1613 0.0000 0.0000 52304.0735 -109566.7420 300.5922 -161870.8155 -109204.7031 299.7643 -138.2458 -109.8037 760431.0249 -2.9142 -3.0964 PRESSURE: 1763400 130.005 326.77 -23.4164 326.771 57.4619 -23.2566 -23.4182 -23.2573 213.474 GPRESSURE: 1763400 203.536 189.554 -94.6515 339.169 10.0615 26.0224 -128.268 -8.56512 270.223 PRESSAVG: 1763400 -16.6722 -15.3757 -69.7253 -15.3757 35.6792 -78.4713 -69.7253 -78.4713 9.46841 GPRESSAVG: 1763400 -15.775 -16.7179 -68.1094 -15.5435 35.1827 -78.1189 -72.0717 -78.8822 9.13612 TIMING: 1763400 CPU: 5558.77, 0.0032308/step Wall: 5558.77, 0.0032308/step, 2.90467 hours remaining, 239.324219 MB of memory in use. ENERGY: 1763400 3921.9806 20680.7941 14458.0813 247.5895 -203348.3369 2489.5640 0.0000 0.0000 52082.4605 -109467.8669 299.3186 -161550.3273 -109099.7311 299.4592 133.6471 161.2737 759054.4354 9.4918 9.5146 PRESSURE: 1763600 -58.334 58.4743 -63.262 58.4747 -119.621 -254.29 -63.2622 -254.291 -97.4473 GPRESSURE: 1763600 30.7689 182.776 -30.6537 82.5431 -148.718 -161.534 -50.8508 -167.25 -62.7618 PRESSAVG: 1763600 34.7504 9.07761 -43.8004 9.07763 -64.598 -51.4903 -43.8003 -51.4903 -7.03591 GPRESSAVG: 1763600 35.8245 10.6013 -45.7001 9.0479 -64.6739 -51.281 -43.0657 -50.686 -7.8498 TIMING: 1763600 CPU: 5559.41, 0.00322449/step Wall: 5559.41, 0.00322449/step, 2.89881 hours remaining, 239.324219 MB of memory in use. ENERGY: 1763600 3936.7386 20626.9833 14459.5585 242.4333 -202917.2330 2122.7108 0.0000 0.0000 51960.8849 -109567.9236 298.6199 -161528.8086 -109201.4748 299.6971 -91.8007 -60.2370 760063.0367 -12.2945 -12.2330 PRESSURE: 1763800 -316.02 -29.8447 121.074 -29.8442 -193.374 -51.7729 121.074 -51.7729 -645 GPRESSURE: 1763800 -307.913 -65.409 127.046 -48.9062 -209.41 -57.0284 101.904 -80.8476 -545.831 PRESSAVG: 1763800 14.7653 28.1048 46.7311 28.1048 -13.4028 -36.2065 46.7311 -36.2066 -24.5542 GPRESSAVG: 1763800 13.8965 27.3398 46.3336 31.8496 -12.4747 -36.9858 46.0507 -38.2365 -24.4469 TIMING: 1763800 CPU: 5560.06, 0.00320848/step Wall: 5560.06, 0.00320848/step, 2.88425 hours remaining, 239.324219 MB of memory in use. ENERGY: 1763800 3978.4589 20604.5467 14415.2808 228.3567 -202844.5390 2135.7112 0.0000 0.0000 51942.3246 -109539.8600 298.5133 -161482.1846 -109177.3805 299.1911 -384.7980 -354.3845 760704.7847 -7.7306 -7.6750 PRESSURE: 1764000 69.9196 -162.541 -175.352 -162.541 -82.0996 -23.7121 -175.353 -23.7116 -210.822 GPRESSURE: 1764000 34.7058 -75.1563 -153.116 -121.076 4.25345 -40.179 -104.313 76.7215 -178.077 PRESSAVG: 1764000 8.28957 -23.2321 37.7459 -23.2321 -39.2849 -5.86221 37.7459 -5.86216 -7.94666 GPRESSAVG: 1764000 7.42391 -21.2096 38.2164 -24.6039 -39.6912 -5.45532 39.7957 -4.3389 -6.61031 TIMING: 1764000 CPU: 5560.69, 0.00319644/step Wall: 5560.69, 0.00319644/step, 2.87325 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1764000 4004.1590 20479.7455 14485.5380 253.4102 -203211.5859 2370.8927 0.0000 0.0000 52181.5618 -109436.2788 299.8882 -161617.8406 -109071.0445 299.5004 -74.3339 -46.3726 761357.2382 -12.9807 -12.9592 PRESSURE: 1764200 -302.721 8.63152 -72.8161 8.63155 -200.483 97.133 -72.8157 97.1343 42.9423 GPRESSURE: 1764200 -203.496 123.823 -75.2106 49.013 -171.943 95.8148 -13.697 157.22 0.918232 PRESSAVG: 1764200 45.5402 -13.0883 19.4163 -13.0882 -64.9453 -18.5681 19.4163 -18.5681 17.6085 GPRESSAVG: 1764200 45.7665 -12.1614 19.4971 -15.4303 -63.4212 -17.8616 19.4944 -20.2706 16.2481 TIMING: 1764200 CPU: 5561.33, 0.0031888/step Wall: 5561.33, 0.0031888/step, 2.8662 hours remaining, 239.324219 MB of memory in use. ENERGY: 1764200 3990.9839 20531.2356 14361.9986 251.4858 -203037.1708 2202.3604 0.0000 0.0000 52330.3037 -109368.8029 300.7430 -161699.1065 -109001.5867 299.3980 -153.4207 -124.8403 762054.0939 -0.5989 -0.4689 LDB: ============= START OF LOAD BALANCING ============== 5573.73 LDB: ============== END OF LOAD BALANCING =============== 5573.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5573.73 LDB: ============= START OF LOAD BALANCING ============== 5574.05 LDB: Largest compute 7034 load 0.033460 is 17.1% of average load 0.195894 LDB: Average compute 0.004375 is 2.2% of average load 0.195894 LDB: TIME 5574.05 LOAD: AVG 0.195894 MAX 0.215122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.438 MB LDB: TIME 5574.05 LOAD: AVG 0.195894 MAX 0.215122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.438 MB LDB: TIME 5574.05 LOAD: AVG 0.195894 MAX 0.215122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.438 MB LDB: ============== END OF LOAD BALANCING =============== 5574.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5574.06 PRESSURE: 1764400 -243.248 183.495 255.133 183.495 -365.655 -84.8825 255.132 -84.8824 -292.336 GPRESSURE: 1764400 -222.04 151.631 239.81 134.418 -352.585 -115.792 232.682 -6.00401 -230.972 PRESSAVG: 1764400 -7.843 19.7783 45.9592 19.7784 -10.5294 -0.317882 45.9592 -0.317936 -6.57166 GPRESSAVG: 1764400 -8.63218 16.538 45.0308 21.014 -11.6503 -0.736786 46.9457 -0.0182895 -5.0578 TIMING: 1764400 CPU: 5561.98, 0.00322769/step Wall: 5561.98, 0.00322769/step, 2.90097 hours remaining, 237.945312 MB of memory in use. ENERGY: 1764400 4007.9195 20327.8120 14433.4823 238.1000 -203475.6589 2770.7569 0.0000 0.0000 52191.5081 -109506.0801 299.9453 -161697.5882 -109142.5764 299.2705 -300.4130 -268.5324 762256.6236 -8.3147 -8.4468 PRESSURE: 1764600 -9.14577 156.021 -71.477 156.021 3.63618 -77.9711 -71.4769 -77.9707 143.415 GPRESSURE: 1764600 76.9751 231.342 -34.7727 -45.8997 33.2159 -59.7049 -43.1339 -25.612 111.731 PRESSAVG: 1764600 29.7211 10.6337 28.5957 10.6337 -8.478 -64.1473 28.5957 -64.1472 10.737 GPRESSAVG: 1764600 31.1671 10.7517 28.0774 8.79183 -8.5225 -63.1774 29.0638 -63.362 9.84198 TIMING: 1764600 CPU: 5562.62, 0.00322153/step Wall: 5562.62, 0.00322153/step, 2.89526 hours remaining, 238.011719 MB of memory in use. ENERGY: 1764600 3959.0245 20564.6536 14413.3995 250.2632 -203222.0007 2333.5378 0.0000 0.0000 52227.5693 -109473.5527 300.1526 -161701.1220 -109113.6918 298.6961 45.9686 73.9741 759193.9856 10.6601 10.8289 PRESSURE: 1764800 -87.3489 -18.3311 61.768 -18.3302 -257.398 174.237 61.7679 174.238 111.927 GPRESSURE: 1764800 25.6428 -0.455565 127.527 -29.8844 -216.774 177.207 41.2403 134.023 46.4448 PRESSAVG: 1764800 -55.3328 -37.2821 20.8038 -37.282 0.424571 17.8091 20.8037 17.8092 -8.83964 GPRESSAVG: 1764800 -55.7448 -35.7662 21.2159 -37.0334 0.34369 17.2778 20.6179 18.7202 -8.1618 TIMING: 1764800 CPU: 5563.26, 0.00320284/step Wall: 5563.26, 0.00320284/step, 2.87828 hours remaining, 238.011719 MB of memory in use. ENERGY: 1764800 3952.4264 20406.5058 14492.5511 264.4742 -203553.7273 2533.5947 0.0000 0.0000 52175.3676 -109728.8076 299.8526 -161904.1752 -109369.5622 299.2661 -77.6064 -48.2286 759064.3181 -21.2493 -21.1876 PRESSURE: 1765000 -263.57 -63.7568 3.29934 -63.7571 -205.978 237.634 3.29913 237.634 -286.756 GPRESSURE: 1765000 -246.195 -41.3717 78.8617 -106.5 -143.43 274.789 -6.89834 168.367 -262.299 PRESSAVG: 1765000 -51.1718 -19.8097 27.5301 -19.8097 12.554 -10.7945 27.5301 -10.7944 -1.8834 GPRESSAVG: 1765000 -51.2875 -18.9187 28.1316 -18.2923 12.5639 -10.7214 25.6535 -11.6298 -1.64499 TIMING: 1765000 CPU: 5563.9, 0.00317443/step Wall: 5563.9, 0.00317443/step, 2.85258 hours remaining, 238.011719 MB of memory in use. ENERGY: 1765000 4009.5970 20403.2545 14544.5826 264.0615 -203304.2133 2374.3656 0.0000 0.0000 51920.9003 -109787.4518 298.3901 -161708.3521 -109429.0844 298.4837 -252.1013 -217.3083 760617.7986 -13.5004 -13.4562 PRESSURE: 1765200 -61.7827 -37.6019 26.5354 -37.6017 -292.624 -39.4092 26.5356 -39.4101 76.3611 GPRESSURE: 1765200 -110.464 26.2523 -21.1855 -93.9408 -187.224 -60.0568 50.4251 -30.976 97.4781 PRESSAVG: 1765200 -41.4879 -14.5757 15.52 -14.5757 66.5769 33.7023 15.52 33.7022 -5.35852 GPRESSAVG: 1765200 -41.4026 -15.0288 15.9947 -14.7479 67.8571 33.1814 16.526 34.1594 -6.3256 TIMING: 1765200 CPU: 5564.53, 0.00317347/step Wall: 5564.53, 0.00317347/step, 2.85154 hours remaining, 238.011719 MB of memory in use. ENERGY: 1765200 4062.7781 20451.1364 14502.3703 250.8896 -202962.1703 2006.2675 0.0000 0.0000 51969.5804 -109719.1481 298.6699 -161688.7285 -109362.3596 298.8175 -92.6819 -66.7366 760235.8764 6.5768 6.7097 PRESSURE: 1765400 -230.6 -37.3178 -56.6006 -37.3175 261.12 -109.335 -56.6007 -109.334 -458.625 GPRESSURE: 1765400 -186.684 33.3642 -78.7764 -13.4607 217.421 -158.049 -12.8776 -54.1378 -387.958 PRESSAVG: 1765400 -49.1074 -20.1295 28.2677 -20.1294 32.0879 3.88306 28.2677 3.88315 -11.7364 GPRESSAVG: 1765400 -49.5475 -21.6025 28.2413 -19.3054 31.1531 4.00084 27.3947 6.94154 -10.7906 TIMING: 1765400 CPU: 5565.17, 0.00319659/step Wall: 5565.17, 0.00319659/step, 2.87214 hours remaining, 238.011719 MB of memory in use. ENERGY: 1765400 4034.8547 20331.2367 14494.3421 244.7305 -203526.7944 2643.5431 0.0000 0.0000 51906.5491 -109871.5381 298.3077 -161778.0872 -109508.6936 298.9529 -142.7016 -119.0736 760090.5906 -9.5853 -9.7283 PRESSURE: 1765600 5.29389 -139.061 50.8471 -139.061 -99.975 -75.1786 50.8479 -75.1795 34.5184 GPRESSURE: 1765600 35.9508 -101.064 87.5492 -136.626 -19.9107 -51.0719 86.5041 -67.9831 12.9573 PRESSAVG: 1765600 -35.9281 -15.8286 33.6465 -15.8286 -8.4776 10.5416 33.6465 10.5416 30.6207 GPRESSAVG: 1765600 -36.8397 -14.1576 33.0914 -17.762 -7.83731 11.8404 34.9155 5.90606 30.5848 TIMING: 1765600 CPU: 5565.81, 0.00318878/step Wall: 5565.81, 0.00318878/step, 2.86494 hours remaining, 238.011719 MB of memory in use. ENERGY: 1765600 3950.1086 20475.3096 14416.1505 259.4927 -203194.9416 2259.7279 0.0000 0.0000 51836.6006 -109997.5517 297.9057 -161834.1522 -109643.4222 298.6640 -20.0543 9.6658 760690.2799 -4.5950 -4.6974 PRESSURE: 1765800 -179.139 -114.876 -17.192 -114.876 289.289 174.052 -17.1916 174.052 -10.3346 GPRESSURE: 1765800 -69.2612 -0.84061 -116.898 -167.187 245.774 130.049 -62.4366 232.377 6.99551 PRESSAVG: 1765800 6.83705 -0.0641927 26.6469 -0.0642328 10.3204 4.84272 26.6469 4.84264 -14.6744 GPRESSAVG: 1765800 8.7316 -1.87021 25.2904 0.202814 9.17209 3.91715 28.0654 6.06668 -14.7795 TIMING: 1765800 CPU: 5566.45, 0.00317654/step Wall: 5566.45, 0.00317653/step, 2.85376 hours remaining, 238.011719 MB of memory in use. ENERGY: 1765800 3988.3892 20427.0847 14409.2376 236.8482 -203701.5009 2755.0964 0.0000 0.0000 51789.7846 -110095.0601 297.6366 -161884.8448 -109734.3950 297.9887 33.2719 61.1694 759784.2724 0.8277 1.0414 PRESSURE: 1766000 -137.404 -4.58815 -73.4243 -4.58829 72.1489 33.0071 -73.4248 33.0065 -107.65 GPRESSURE: 1766000 -48.6192 135.157 -112.816 113.049 38.0251 125.39 -19.7071 -37.3252 -107.336 PRESSAVG: 1766000 -17.8364 -43.3362 -7.27852 -43.3362 6.33393 -37.8444 -7.27852 -37.8445 -7.14472 GPRESSAVG: 1766000 -18.3336 -39.7215 -6.65665 -44.0108 6.75694 -36.8122 -9.15742 -38.7212 -7.35193 TIMING: 1766000 CPU: 5567.09, 0.00320538/step Wall: 5567.09, 0.00320538/step, 2.8795 hours remaining, 238.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1766000 3904.1981 20559.2895 14492.1690 251.9412 -203771.7077 2412.9135 0.0000 0.0000 51941.9142 -110209.2822 298.5109 -162151.1963 -109857.1706 297.3313 -57.6353 -39.3099 760092.2938 -6.2157 -6.3095 PRESSURE: 1766200 268.164 -227.87 -87.7914 -227.87 -96.664 336.46 -87.7928 336.461 -94.5866 GPRESSURE: 1766200 317.101 -248.513 -143.31 -167.905 -98.3781 337.85 -9.02296 348.133 -58.3744 PRESSAVG: 1766200 47.6571 30.4519 -6.69975 30.4519 -21.5191 2.11443 -6.69984 2.11443 -26.2288 GPRESSAVG: 1766200 49.4372 27.0151 -5.85346 30.9349 -22.4746 0.530371 -4.87157 4.74733 -26.6064 TIMING: 1766200 CPU: 5567.73, 0.00320049/step Wall: 5567.73, 0.00320049/step, 2.87493 hours remaining, 238.011719 MB of memory in use. ENERGY: 1766200 3951.2168 20594.7674 14481.8535 243.3237 -203912.7978 2553.9309 0.0000 0.0000 51783.0196 -110304.6859 297.5977 -162087.7055 -109950.0357 297.8546 25.6378 53.4496 759188.4356 -0.0302 0.1188 PRESSURE: 1766400 -22.9613 135.65 -153.761 135.65 5.48596 -98.599 -153.761 -98.5987 -204.981 GPRESSURE: 1766400 -53.1084 -1.27652 -151.517 169.125 99.0562 -54.5849 -19.0449 -101.598 -190.196 PRESSAVG: 1766400 12.1421 -28.1404 -6.4507 -28.1404 -9.23637 1.75506 -6.45074 1.75505 19.3231 GPRESSAVG: 1766400 10.9914 -28.3757 -6.26766 -29.6454 -8.41624 2.71247 -6.22429 1.35396 19.5655 TIMING: 1766400 CPU: 5568.36, 0.00318844/step Wall: 5568.36, 0.00318844/step, 2.86393 hours remaining, 238.011719 MB of memory in use. ENERGY: 1766400 3958.9064 20480.2373 14438.8099 233.7795 -203938.2310 2824.1738 0.0000 0.0000 51806.1729 -110196.1510 297.7308 -162002.3239 -109849.9341 298.3075 -74.1522 -48.0828 761992.1932 7.4096 7.3802 PRESSURE: 1766600 30.5068 -142.836 52.7809 -142.835 25.46 -32.3133 52.7807 -32.3142 -10.8493 GPRESSURE: 1766600 70.9401 -122.165 -33.1114 -181.389 -2.22036 -47.1614 -31.8367 -121.556 48.3707 PRESSAVG: 1766600 -28.3223 5.42616 -14.4582 5.4261 21.6083 -1.32166 -14.4582 -1.3217 1.7357 GPRESSAVG: 1766600 -30.1137 7.50601 -16.5436 4.61866 21.6924 -1.34414 -16.3694 -2.97804 3.09591 TIMING: 1766600 CPU: 5569.01, 0.00323373/step Wall: 5569.01, 0.00323373/step, 2.90443 hours remaining, 238.011719 MB of memory in use. ENERGY: 1766600 3974.8009 20457.0704 14447.3388 233.4583 -203833.0595 2632.3204 0.0000 0.0000 51905.3816 -110182.6892 298.3009 -162088.0707 -109832.1333 297.5511 15.0392 39.0301 760685.8510 -1.6594 -1.7751 PRESSURE: 1766800 590.567 -152.221 -105.848 -152.222 206.334 62.0728 -105.847 62.0736 421.18 GPRESSURE: 1766800 576.633 -28.8066 -74.6581 -81.656 247.079 26.7404 11.8962 152.801 470.124 PRESSAVG: 1766800 -12.3862 -16.0912 -35.0632 -16.0912 -20.4795 3.60545 -35.0633 3.60544 -21.2145 GPRESSAVG: 1766800 -10.6593 -18.5039 -33.7358 -14.1793 -20.8966 3.63623 -33.1233 2.16996 -22.2618 TIMING: 1766800 CPU: 5569.65, 0.00320808/step Wall: 5569.65, 0.00320808/step, 2.88121 hours remaining, 238.011719 MB of memory in use. ENERGY: 1766800 4006.0528 20462.1891 14458.8397 244.1072 -204173.3686 3104.5367 0.0000 0.0000 51729.7461 -110167.8970 297.2916 -161897.6431 -109813.4333 297.6622 406.0271 431.2787 760237.7807 -18.0267 -17.9392 PRESSURE: 1767000 13.6677 43.2383 220.254 43.2372 -74.9036 -176.3 220.254 -176.3 83.9518 GPRESSURE: 1767000 3.57577 75.0221 223.03 30.636 28.6283 -192.901 102.904 -69.0526 75.2889 PRESSAVG: 1767000 21.2936 -33.5273 -18.2857 -33.5273 50.4422 -0.823242 -18.2858 -0.82323 4.14448 GPRESSAVG: 1767000 21.2522 -32.7661 -17.979 -32.053 50.5547 -1.33541 -18.9668 0.786104 4.27962 TIMING: 1767000 CPU: 5570.3, 0.00322008/step Wall: 5570.3, 0.00322008/step, 2.89181 hours remaining, 238.011719 MB of memory in use. ENERGY: 1767000 3977.0885 20447.7534 14450.5450 234.8963 -203638.5378 2520.6778 0.0000 0.0000 51698.4991 -110309.0777 297.1120 -162007.5768 -109941.1474 297.9333 7.5720 35.8310 760335.2686 25.2934 25.3621 PRESSURE: 1767200 73.5966 35.6545 125.315 35.655 -246.737 -62.8092 125.316 -62.8102 175.38 GPRESSURE: 1767200 -37.1919 57.5976 89.7382 69.8746 -113.712 -86.0021 83.7887 -101.635 247.404 PRESSAVG: 1767200 -43.5822 -6.36133 35.6512 -6.36132 23.1185 54.3636 35.6513 54.3636 -7.62779 GPRESSAVG: 1767200 -43.9885 -5.79003 35.4773 -8.0399 25.1291 53.6879 34.9346 56.3999 -8.73268 TIMING: 1767200 CPU: 5570.93, 0.00319349/step Wall: 5570.93, 0.00319349/step, 2.86776 hours remaining, 238.011719 MB of memory in use. ENERGY: 1767200 3972.1537 20482.6151 14399.8873 257.9530 -203849.2546 2781.1257 0.0000 0.0000 51782.9738 -110172.5460 297.5975 -161955.5198 -109818.6454 298.1964 0.7465 32.1669 760167.4471 -9.3638 -9.1974 PRESSURE: 1767400 51.4494 14.7232 -55.5859 14.7236 -129.1 150.105 -55.5855 150.104 -384.038 GPRESSURE: 1767400 87.4287 -37.2745 -75.2215 56.4951 -85.0858 211.515 -97.3072 123.039 -376.807 PRESSAVG: 1767400 52.9821 -38.3598 -21.2086 -38.3597 5.35566 -25.7337 -21.2087 -25.7337 10.4335 GPRESSAVG: 1767400 53.8489 -38.2503 -22.3281 -38.2624 3.99971 -25.7908 -20.5059 -29.1299 11.2293 TIMING: 1767400 CPU: 5571.58, 0.0032226/step Wall: 5571.58, 0.0032226/step, 2.89372 hours remaining, 238.011719 MB of memory in use. ENERGY: 1767400 3999.9069 20408.3060 14454.1855 252.4437 -203496.6022 2456.7002 0.0000 0.0000 51880.9781 -110044.0818 298.1607 -161925.0599 -109681.8678 298.1057 -153.8964 -124.8215 760252.5237 22.9238 23.0260 PRESSURE: 1767600 -283.565 170.619 34.4589 170.619 -182.402 -86.4922 34.4583 -86.4919 375.478 GPRESSURE: 1767600 -265.738 46.4637 -136.758 110.705 -129.115 -131.687 37.6125 -81.3525 394.883 PRESSAVG: 1767600 44.3841 -4.38382 -9.85799 -4.38383 -15.2607 54.2962 -9.85799 54.2962 19.897 GPRESSAVG: 1767600 43.4393 -5.29868 -8.3391 -4.11566 -13.5261 54.5113 -11.8058 57.3438 19.5442 TIMING: 1767600 CPU: 5572.22, 0.00321528/step Wall: 5572.22, 0.00321528/step, 2.88696 hours remaining, 238.011719 MB of memory in use. ENERGY: 1767600 3976.4612 20444.0457 14504.2697 243.5244 -203444.2143 2568.1043 0.0000 0.0000 51787.7194 -109920.0896 297.6247 -161707.8090 -109568.2049 298.1457 -30.1630 0.0098 761713.2534 16.3401 16.4858 PRESSURE: 1767800 -229.37 118.264 169.835 118.264 -203.337 254.013 169.835 254.012 -224.821 GPRESSURE: 1767800 -83.8673 200.965 170.469 44.0642 -215.713 210.478 150.864 182.406 -259.916 PRESSAVG: 1767800 -7.49815 -16.6231 26.2845 -16.6231 -51.9574 38.7158 26.2845 38.7157 8.18427 GPRESSAVG: 1767800 -7.01499 -15.329 25.0937 -16.3754 -54.4067 38.0601 28.2497 37.4641 10.0415 TIMING: 1767800 CPU: 5572.87, 0.00322516/step Wall: 5572.87, 0.00322517/step, 2.89566 hours remaining, 238.011719 MB of memory in use. ENERGY: 1767800 3996.5483 20491.9799 14487.6739 247.5165 -203744.9974 2769.1056 0.0000 0.0000 51793.1967 -109958.9765 297.6562 -161752.1732 -109602.9629 297.6329 -219.1762 -186.4987 761492.7735 -17.0904 -17.1267 PRESSURE: 1768000 -284.143 51.9906 158.908 51.9901 -293.319 90.3762 158.908 90.3771 -360.849 GPRESSURE: 1768000 -215.835 0.627819 67.0091 54.5744 -322.493 137.503 127.822 98.3666 -331.151 PRESSAVG: 1768000 12.0315 -21.6937 62.776 -21.6937 -20.4278 23.5722 62.7761 23.5721 -1.08832 GPRESSAVG: 1768000 12.331 -22.5411 62.7945 -22.3411 -19.5436 24.9557 63.9362 22.517 -2.07095 TIMING: 1768000 CPU: 5573.51, 0.00321642/step Wall: 5573.51, 0.00321642/step, 2.88763 hours remaining, 238.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1768000 4011.0991 20481.6008 14450.7329 247.8734 -203365.2204 2274.1971 0.0000 0.0000 51961.1392 -109938.5779 298.6214 -161899.7171 -109580.9831 298.0968 -312.7701 -289.8261 762328.9159 -3.1615 -3.0945 PRESSURE: 1768200 189.082 185.29 190.632 185.289 -248.804 -148.01 190.631 -148.011 112.229 GPRESSURE: 1768200 238.853 122.964 208.787 185.686 -189.616 -217.093 218.656 -22.8761 101.218 PRESSAVG: 1768200 -0.188612 -34.4001 -9.93657 -34.4002 14.1317 -13.7569 -9.93653 -13.7569 -10.9023 GPRESSAVG: 1768200 0.36796 -32.1751 -9.35039 -33.7416 14.7939 -14.098 -12.8874 -12.8728 -11.9518 TIMING: 1768200 CPU: 5574.15, 0.00318201/step Wall: 5574.15, 0.00318201/step, 2.85656 hours remaining, 238.011719 MB of memory in use. ENERGY: 1768200 3941.4001 20362.3111 14429.5517 270.4426 -203590.0306 2641.4502 0.0000 0.0000 51979.7235 -109965.1514 298.7282 -161944.8750 -109610.5506 297.9750 17.5024 50.1516 761262.8823 1.0136 1.0700 LDB: ============= START OF LOAD BALANCING ============== 5586.55 LDB: ============== END OF LOAD BALANCING =============== 5586.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5586.55 LDB: ============= START OF LOAD BALANCING ============== 5586.87 LDB: Largest compute 7034 load 0.037804 is 19.3% of average load 0.195987 LDB: Average compute 0.004397 is 2.2% of average load 0.195987 LDB: TIME 5586.88 LOAD: AVG 0.195987 MAX 0.215666 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.031 MB LDB: TIME 5586.88 LOAD: AVG 0.195987 MAX 0.215666 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.234 MB LDB: TIME 5586.88 LOAD: AVG 0.195987 MAX 0.215666 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.234 MB LDB: ============== END OF LOAD BALANCING =============== 5586.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5586.89 PRESSURE: 1768400 -300.261 -126.91 -37.6656 -126.91 129.864 178.92 -37.6658 178.92 -36.1297 GPRESSURE: 1768400 -284.046 -160.178 5.57331 50.2421 202.044 165.576 -166.581 97.0413 -32.6895 PRESSAVG: 1768400 -5.11717 -22.6049 -9.70491 -22.6049 24.9016 33.9548 -9.70492 33.9547 9.82245 GPRESSAVG: 1768400 -5.02261 -22.7918 -10.8648 -23.1987 23.8784 34.5355 -7.17901 36.1299 11.2598 TIMING: 1768400 CPU: 5574.8, 0.00327935/step Wall: 5574.8, 0.00327935/step, 2.94376 hours remaining, 240.148438 MB of memory in use. ENERGY: 1768400 3931.6971 20361.7458 14476.7789 255.6573 -203403.8984 2501.9460 0.0000 0.0000 51875.8096 -110000.2637 298.1310 -161876.0733 -109640.9454 297.7219 -68.8422 -38.2305 761449.8793 9.8690 10.0385 PRESSURE: 1768600 -139.206 97.535 -192.006 97.5354 300.979 169.97 -192.005 169.97 32.1481 GPRESSURE: 1768600 -16.3439 49.2668 -118.105 119.299 225.008 106.052 -160.547 195.619 80.9595 PRESSAVG: 1768600 -13.5286 -28.1039 -41.8442 -28.1039 32.5023 2.46177 -41.8442 2.46175 -4.09326 GPRESSAVG: 1768600 -13.8305 -28.9544 -42.4703 -27.7387 33.9357 1.85924 -43.0989 -0.551018 -4.57521 TIMING: 1768600 CPU: 5575.45, 0.00321247/step Wall: 5575.45, 0.00321247/step, 2.88355 hours remaining, 240.218750 MB of memory in use. ENERGY: 1768600 3929.9530 20459.1138 14474.6069 235.0533 -203465.1525 2641.5832 0.0000 0.0000 51696.6169 -110028.2254 297.1012 -161724.8424 -109673.6877 297.6367 64.6406 96.5413 759398.3869 4.9602 5.1766 PRESSURE: 1768800 -24.0703 54.7072 -57.0313 54.7071 -234.653 -70.7092 -57.0312 -70.7084 -80.0545 GPRESSURE: 1768800 28.0989 76.5971 -100.724 7.57251 -249.273 -105.093 -165.718 14.4695 -23.3192 PRESSAVG: 1768800 -7.95601 66.4403 43.9198 66.4403 43.872 11.9564 43.9198 11.9564 -25.4534 GPRESSAVG: 1768800 -6.54609 65.0929 45.8351 68.1541 43.141 11.6352 43.9528 12.7929 -24.9266 TIMING: 1768800 CPU: 5576.09, 0.00320734/step Wall: 5576.09, 0.00320734/step, 2.87877 hours remaining, 240.218750 MB of memory in use. ENERGY: 1768800 3945.6361 20499.6295 14479.7981 243.4329 -202841.5299 2332.2219 0.0000 0.0000 51622.2777 -109718.5337 296.6739 -161340.8113 -109355.5431 298.3325 -112.9260 -81.4978 761487.3122 3.4875 3.8895 PRESSURE: 1769000 -338.995 213.251 46.6654 213.251 -247.687 72.2071 46.6649 72.2064 -22.3767 GPRESSURE: 1769000 -397.917 314.029 108.853 232.138 -201.563 45.6473 67.1532 146.204 69.861 PRESSAVG: 1769000 -8.60341 11.9812 61.2498 11.9812 10.6805 14.5748 61.2498 14.5748 9.12203 GPRESSAVG: 1769000 -9.56981 13.1375 61.0473 12.3697 11.4561 14.5899 60.2474 16.7175 9.34412 TIMING: 1769000 CPU: 5576.72, 0.00317834/step Wall: 5576.72, 0.00317834/step, 2.85256 hours remaining, 240.218750 MB of memory in use. ENERGY: 1769000 4006.1047 20472.7618 14550.1958 231.5368 -202920.6029 2339.3975 0.0000 0.0000 51943.3360 -109377.2703 298.5191 -161320.6063 -109021.3889 298.4954 -203.0196 -176.5395 761573.8584 3.7330 3.7435 PRESSURE: 1769200 17.9699 98.349 151.236 98.3495 -82.7435 -110.924 151.236 -110.924 -336.647 GPRESSURE: 1769200 24.2677 -10.3801 176.921 49.0004 24.6736 -23.4071 -20.0636 -75.6032 -366.755 PRESSAVG: 1769200 6.70369 13.7014 -3.46232 13.7015 -2.12075 33.6945 -3.46234 33.6944 10.0277 GPRESSAVG: 1769200 6.96219 12.4154 -4.00856 11.0116 -1.52441 36.0086 -3.00649 31.9992 9.28907 TIMING: 1769200 CPU: 5577.37, 0.00321375/step Wall: 5577.37, 0.00321375/step, 2.88417 hours remaining, 240.218750 MB of memory in use. ENERGY: 1769200 3989.7796 20340.5739 14480.5882 251.3730 -203248.6762 2412.5352 0.0000 0.0000 52087.4742 -109686.3521 299.3474 -161773.8263 -109323.3960 299.4993 -133.8068 -105.9378 760853.2267 4.8702 4.9090 PRESSURE: 1769400 -242.84 51.2588 -60.1671 51.259 -250.421 -47.899 -60.1674 -47.8983 -415.832 GPRESSURE: 1769400 -165.519 51.5652 -36.9304 34.7752 -218.136 -63.1692 -20.2279 -19.7176 -449.983 PRESSAVG: 1769400 -5.22293 19.548 -15.2974 19.548 54.2825 -7.97899 -15.2974 -7.97896 -24.1957 GPRESSAVG: 1769400 -4.33897 21.6939 -15.519 19.5752 53.9998 -10.6911 -14.5875 -7.79756 -24.9253 TIMING: 1769400 CPU: 5578.01, 0.00321779/step Wall: 5578.01, 0.00321779/step, 2.88761 hours remaining, 240.218750 MB of memory in use. ENERGY: 1769400 4053.0332 20371.8366 14506.5325 261.7993 -202970.7914 2114.8114 0.0000 0.0000 51970.4642 -109692.3142 298.6750 -161662.7784 -109324.8851 299.0878 -303.0311 -277.8792 761100.6233 8.2879 8.2452 PRESSURE: 1769600 -429.679 -75.0277 128.779 -75.0285 -149.397 -38.9508 128.778 -38.9509 -536.768 GPRESSURE: 1769600 -390.755 -31.2523 76.3231 -71.4614 -107.811 27.0281 130.017 28.823 -541.62 PRESSAVG: 1769600 26.0179 33.3651 -31.2239 33.365 -37.3179 18.9189 -31.2238 18.9188 -0.533784 GPRESSAVG: 1769600 24.995 31.5046 -30.8556 35.6776 -36.6748 21.6256 -30.5857 19.0383 -0.254053 TIMING: 1769600 CPU: 5578.65, 0.00321016/step Wall: 5578.65, 0.00321016/step, 2.88058 hours remaining, 240.218750 MB of memory in use. ENERGY: 1769600 4076.4602 20437.7041 14458.7250 251.3832 -203067.4197 2112.8660 0.0000 0.0000 52132.5226 -109597.7585 299.6063 -161730.2812 -109238.6826 299.1267 -371.9480 -346.7286 760082.3591 -3.9446 -3.9780 PRESSURE: 1769800 187.462 65.9104 147.19 65.9105 63.2381 165.877 147.19 165.877 -128.364 GPRESSURE: 1769800 162.322 -4.68057 197.944 31.891 146.382 99.994 144.725 122.276 -113.417 PRESSAVG: 1769800 16.2679 43.6072 35.4708 43.6072 14.1735 2.50866 35.4708 2.50864 7.98798 GPRESSAVG: 1769800 16.7896 44.3582 33.9586 43.1038 12.4432 1.82241 36.8235 1.95081 9.30349 TIMING: 1769800 CPU: 5579.29, 0.00320139/step Wall: 5579.29, 0.00320139/step, 2.87254 hours remaining, 240.218750 MB of memory in use. ENERGY: 1769800 3975.3718 20535.1270 14416.4594 250.6924 -203455.5698 2546.8559 0.0000 0.0000 52132.6666 -109598.3967 299.6072 -161731.0633 -109230.4912 299.2272 40.7788 65.0957 760391.2132 12.8098 12.8454 PRESSURE: 1770000 180.899 -144.508 0.576182 -144.509 6.73848 -114.84 0.576243 -114.839 304.147 GPRESSURE: 1770000 181.007 -98.4659 -107.579 -99.6604 112.309 -65.8433 -23.8 -93.0334 287.645 PRESSAVG: 1770000 31.5823 -13.9092 -13.5554 -13.9093 -3.68521 13.5249 -13.5554 13.5248 -18.6032 GPRESSAVG: 1770000 30.4259 -13.1084 -13.1368 -14.9936 -1.33624 11.2022 -13.4864 13.3957 -19.6841 TIMING: 1770000 CPU: 5579.93, 0.00318866/step Wall: 5579.93, 0.00318866/step, 2.86094 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1770000 3912.3793 20575.6928 14468.8953 237.4769 -203555.3214 2728.0880 0.0000 0.0000 52243.5059 -109389.2832 300.2441 -161632.7892 -109027.3507 300.1093 163.9282 193.6537 760352.5279 3.0980 3.1352 PRESSURE: 1770200 -250.065 22.3373 3.2543 22.3379 -15.558 40.7687 3.25464 40.7678 -312.306 GPRESSURE: 1770200 -212.393 -107.669 28.0189 -27.8049 26.1589 91.0879 -76.9424 42.0305 -284.532 PRESSAVG: 1770200 12.0505 -4.12876 35.5001 -4.12873 19.3745 -53.0692 35.5 -53.0692 4.6033 GPRESSAVG: 1770200 12.3852 -6.38219 37.7037 -3.64743 18.3415 -51.4737 31.6384 -54.0027 5.38343 TIMING: 1770200 CPU: 5580.57, 0.00318941/step Wall: 5580.57, 0.00318941/step, 2.86143 hours remaining, 240.218750 MB of memory in use. ENERGY: 1770200 3997.5416 20496.1631 14475.2780 259.4604 -203454.6977 2396.6238 0.0000 0.0000 52202.0660 -109627.5647 300.0060 -161829.6307 -109266.6345 299.5456 -192.6429 -156.9218 761593.4705 12.0094 12.0367 PRESSURE: 1770400 -299.357 -134.372 37.6983 -134.372 -309.334 -28.0297 37.6983 -28.0308 -118.642 GPRESSURE: 1770400 -199.591 -95.6696 80.697 -19.5223 -296.092 -35.3194 148.228 55.6752 -166.031 PRESSAVG: 1770400 -4.07246 -14.9024 -16.7981 -14.9024 -57.0161 25.2192 -16.7981 25.2191 20.5734 GPRESSAVG: 1770400 -4.01676 -12.4742 -17.7722 -13.2399 -56.8316 25.3999 -13.6613 27.7578 20.1446 TIMING: 1770400 CPU: 5581.2, 0.00316823/step Wall: 5581.2, 0.00316823/step, 2.84226 hours remaining, 240.218750 MB of memory in use. ENERGY: 1770400 4009.6842 20595.4130 14426.2601 239.6134 -203245.4637 2472.9464 0.0000 0.0000 51942.8758 -109558.6710 298.5164 -161501.5468 -109192.8749 299.6633 -242.4440 -220.5714 762026.2197 -13.5051 -13.5679 PRESSURE: 1770600 -284.967 -139.951 -140.766 -139.951 132.269 -20.2403 -140.766 -20.2408 307.182 GPRESSURE: 1770600 -278.25 -115.009 -204.085 -219.284 161.09 -15.3863 -76.5163 -37.3868 347.904 PRESSAVG: 1770600 -4.39149 20.6525 -2.09264 20.6525 14.9462 7.68013 -2.09258 7.68007 -19.395 GPRESSAVG: 1770600 -3.95859 20.5852 -3.0102 18.6957 14.244 8.54657 -2.04594 6.96619 -19.5688 TIMING: 1770600 CPU: 5581.84, 0.00319648/step Wall: 5581.84, 0.00319648/step, 2.86742 hours remaining, 240.218750 MB of memory in use. ENERGY: 1770600 3939.5367 20518.0037 14467.3477 266.9020 -203369.8797 2474.1887 0.0000 0.0000 52103.1105 -109600.7904 299.4373 -161703.9009 -109246.5768 298.9262 51.4944 76.9146 761222.7518 -2.9468 -3.0945 PRESSURE: 1770800 -132.741 -39.575 -212.8 -39.5745 -119.418 -123.045 -212.8 -123.046 -77.8509 GPRESSURE: 1770800 -88.1903 -53.2381 -233.615 -31.9659 -14.6658 -47.1643 -65.7968 -150.709 -135.878 PRESSAVG: 1770800 25.4279 -17.3218 28.4975 -17.3218 -30.6222 -56.9641 28.4975 -56.9641 2.74633 GPRESSAVG: 1770800 25.0969 -17.4794 29.5834 -17.2169 -29.1128 -56.2116 26.0956 -58.1829 1.80336 TIMING: 1770800 CPU: 5582.48, 0.00320271/step Wall: 5582.48, 0.00320272/step, 2.87284 hours remaining, 240.218750 MB of memory in use. ENERGY: 1770800 4051.1981 20391.9931 14479.8271 238.3439 -203472.0670 2558.6886 0.0000 0.0000 52016.4942 -109735.5220 298.9395 -161752.0162 -109378.7549 298.4652 -110.0032 -79.5781 762469.0546 -0.8160 -0.7375 PRESSURE: 1771000 -197.265 66.2765 -2.11812 66.2773 41.1687 133.4 -2.11777 133.399 121.567 GPRESSURE: 1771000 -100.59 68.0735 -32.8499 -4.0775 33.1774 178.502 -24.8443 86.3622 133.206 PRESSAVG: 1771000 30.0152 -24.0397 36.0193 -24.0398 -63.3498 13.7415 36.0192 13.7415 11.2207 GPRESSAVG: 1771000 30.2341 -24.1194 34.4951 -22.6465 -63.8652 12.8354 37.9013 14.7242 11.9773 TIMING: 1771000 CPU: 5583.12, 0.00317791/step Wall: 5583.12, 0.00317791/step, 2.85041 hours remaining, 240.218750 MB of memory in use. ENERGY: 1771000 4010.0433 20623.4590 14516.6192 255.9818 -203122.7541 2433.8382 0.0000 0.0000 51731.7339 -109551.0787 297.3030 -161282.8127 -109193.0504 298.7800 -11.5098 21.9313 763050.3921 -7.3713 -7.2179 PRESSURE: 1771200 64.2966 -77.8874 142.777 -77.8875 131.398 -182.78 142.777 -182.781 278.587 GPRESSURE: 1771200 187.654 -35.1904 199.234 -134.627 205.567 -158.705 104.501 -239.075 161.949 PRESSAVG: 1771200 39.8724 1.00151 -8.32076 1.00153 -22.0078 -34.6755 -8.32076 -34.6755 26.0709 GPRESSAVG: 1771200 38.1452 0.341476 -8.9622 1.95723 -21.0057 -34.9269 -8.2512 -35.2443 26.5677 TIMING: 1771200 CPU: 5583.75, 0.00318072/step Wall: 5583.75, 0.00318072/step, 2.85275 hours remaining, 240.218750 MB of memory in use. ENERGY: 1771200 3939.2021 20475.4783 14525.4774 262.3817 -203504.9345 2757.5697 0.0000 0.0000 52132.1272 -109412.6982 299.6041 -161544.8255 -109044.9275 299.5836 158.0939 185.0569 761809.6910 14.6452 14.5690 PRESSURE: 1771400 34.0492 95.6629 113.709 95.6634 -9.9084 94.8609 113.709 94.86 -383.197 GPRESSURE: 1771400 112.394 50.2107 103.395 -11.7291 -113.421 85.7342 92.5309 159.294 -288.903 PRESSAVG: 1771400 47.1218 51.0902 -11.2595 51.0901 -32.4441 -50.0162 -11.2594 -50.0162 1.25601 GPRESSAVG: 1771400 47.7495 51.6835 -10.0901 48.7858 -33.2966 -50.0767 -11.2813 -49.885 0.93753 TIMING: 1771400 CPU: 5584.39, 0.00316889/step Wall: 5584.39, 0.00316889/step, 2.84197 hours remaining, 240.218750 MB of memory in use. ENERGY: 1771400 4025.2029 20481.1050 14522.5935 246.4058 -202735.8339 2234.2377 0.0000 0.0000 52105.2765 -109121.0126 299.4497 -161226.2890 -108759.2553 299.8437 -119.6852 -96.6436 764147.0862 5.3112 5.1302 PRESSURE: 1771600 -223.661 -81.048 -60.3947 -81.0485 -462.692 55.4309 -60.3952 55.431 -225.434 GPRESSURE: 1771600 -186.288 16.85 -71.9992 -100.812 -507.655 157.675 12.1513 -28.0034 -122.443 PRESSAVG: 1771600 9.39403 26.8508 -12.8981 26.8507 -23.6518 32.443 -12.898 32.443 29.3842 GPRESSAVG: 1771600 10.7694 26.3476 -13.911 25.9327 -24.949 33.5756 -14.5883 32.6804 29.6356 TIMING: 1771600 CPU: 5585.02, 0.00317354/step Wall: 5585.02, 0.00317355/step, 2.84596 hours remaining, 240.218750 MB of memory in use. ENERGY: 1771600 4058.9847 20487.1538 14489.5384 256.6042 -202794.2090 2251.9444 0.0000 0.0000 52037.1961 -109212.7875 299.0585 -161249.9836 -108850.9282 299.7951 -303.9289 -272.1282 761818.9267 5.0422 5.1520 PRESSURE: 1771800 59.7507 -100.758 229.862 -100.759 174.15 60.9676 229.863 60.9675 241.327 GPRESSURE: 1771800 103.305 -63.7947 198.34 -109.631 180.236 115.672 125.517 -82.5297 277.455 PRESSAVG: 1771800 88.4656 16.898 52.0958 16.898 -31.0884 38.0584 52.0958 38.0584 -7.50754 GPRESSAVG: 1771800 87.0126 16.2988 53.7815 19.4475 -30.5723 38.2497 53.6333 38.6111 -6.46173 TIMING: 1771800 CPU: 5585.66, 0.00320818/step Wall: 5585.66, 0.00320818/step, 2.87685 hours remaining, 240.218750 MB of memory in use. ENERGY: 1771800 4005.6172 20323.1483 14555.8533 249.4819 -203429.8643 2635.1319 0.0000 0.0000 52385.1900 -109275.4418 301.0584 -161660.6318 -108901.1655 300.5322 158.4092 186.9987 760051.1684 16.6232 16.6595 PRESSURE: 1772000 351.861 106.759 251.19 106.759 -114.038 3.05271 251.19 3.05199 72.7164 GPRESSURE: 1772000 302.311 44.5366 143.85 154.919 -14.351 49.4424 164.737 30.7991 97.7056 PRESSAVG: 1772000 35.2475 -65.412 -33.3089 -65.412 -31.7524 25.2502 -33.3088 25.2502 -3.60576 GPRESSAVG: 1772000 34.1631 -64.7033 -34.1053 -66.7545 -30.3021 25.1747 -32.8991 24.314 -4.48943 TIMING: 1772000 CPU: 5586.31, 0.00323428/step Wall: 5586.31, 0.00323429/step, 2.90008 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1772000 4060.3566 20537.6217 14552.7928 237.3628 -202841.8654 2176.5723 0.0000 0.0000 52219.2783 -109057.8810 300.1049 -161277.1592 -108698.0752 300.3758 103.5132 128.5551 761545.8585 -0.0369 -0.2095 PRESSURE: 1772200 -210.143 106.78 -111.125 106.779 45.2996 -164.385 -111.125 -164.386 -33.5544 GPRESSURE: 1772200 -185.334 199.005 -69.4835 165.558 31.5019 -200.351 -19.9587 -248.211 37.1261 PRESSAVG: 1772200 43.0865 -19.2436 5.90341 -19.2437 -38.7977 -26.594 5.90339 -26.5939 19.4725 GPRESSAVG: 1772200 44.4592 -19.4177 5.40281 -17.1279 -38.7683 -28.1716 5.01905 -25.8639 18.3401 TIMING: 1772200 CPU: 5586.95, 0.00321783/step Wall: 5586.95, 0.00321783/step, 2.88514 hours remaining, 240.218750 MB of memory in use. ENERGY: 1772200 4106.4540 20564.3853 14593.8287 238.2002 -203412.8340 2735.6181 0.0000 0.0000 52123.5034 -109050.8444 299.5545 -161174.3478 -108700.5018 300.1682 -66.1324 -38.9021 761377.5018 7.9205 8.0103 LDB: ============= START OF LOAD BALANCING ============== 5599.36 LDB: ============== END OF LOAD BALANCING =============== 5599.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5599.36 LDB: ============= START OF LOAD BALANCING ============== 5599.68 LDB: Largest compute 7034 load 0.035914 is 18.3% of average load 0.195936 LDB: Average compute 0.004391 is 2.2% of average load 0.195936 LDB: TIME 5599.69 LOAD: AVG 0.195936 MAX 0.218281 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.113 MB LDB: TIME 5599.69 LOAD: AVG 0.195936 MAX 0.218281 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.113 MB LDB: TIME 5599.69 LOAD: AVG 0.195936 MAX 0.218281 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.113 MB LDB: ============== END OF LOAD BALANCING =============== 5599.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5599.69 PRESSURE: 1772400 -44.023 -198.173 100.906 -198.174 142.801 16.1988 100.906 16.1984 228.386 GPRESSURE: 1772400 57.6199 -127.778 133.489 -245.329 135.972 -56.7496 100.322 88.4276 209.875 PRESSAVG: 1772400 -7.99867 -63.6273 19.2604 -63.6272 11.062 47.4702 19.2604 47.4702 1.15554 GPRESSAVG: 1772400 -8.32644 -61.9415 19.9565 -64.6954 10.7176 49.0297 18.3335 48.1393 1.63243 TIMING: 1772400 CPU: 5587.61, 0.00329335/step Wall: 5587.61, 0.00329335/step, 2.95267 hours remaining, 238.667969 MB of memory in use. ENERGY: 1772400 3953.2867 20429.6207 14494.3824 241.4167 -203207.7057 2712.9329 0.0000 0.0000 52255.8063 -109120.2600 300.3148 -161376.0663 -108759.3422 299.8547 109.0548 134.4890 761250.7530 1.4063 1.3412 PRESSURE: 1772600 -239.716 -40.4218 -174.31 -40.423 -345.91 113.944 -174.311 113.943 343.338 GPRESSURE: 1772600 -246.582 -24.2709 -86.2243 12.3808 -209.771 138.969 -172.904 124.315 296.034 PRESSAVG: 1772600 -13.8202 -8.81274 0.809617 -8.81272 -5.34942 7.72667 0.809601 7.72674 15.8326 GPRESSAVG: 1772600 -14.1159 -9.40702 0.208598 -9.51156 -4.91293 8.45435 0.449239 7.49388 15.0437 TIMING: 1772600 CPU: 5588.26, 0.00324062/step Wall: 5588.26, 0.00324062/step, 2.90521 hours remaining, 238.667969 MB of memory in use. ENERGY: 1772600 4013.2678 20606.3995 14482.3366 271.0730 -203373.2739 2719.5809 0.0000 0.0000 52270.9160 -109009.7000 300.4017 -161280.6160 -108651.3557 300.2561 -80.7628 -53.4396 761708.2886 -1.1124 -1.3284 PRESSURE: 1772800 -120.551 -12.8353 273.142 -12.8349 -81.2834 -80.1066 273.141 -80.1073 -457.752 GPRESSURE: 1772800 -108.188 115.745 319.708 -81.8388 -73.7621 -96.6799 76.8812 -24.6832 -406.312 PRESSAVG: 1772800 -32.0042 -37.4343 30.6333 -37.4343 0.770627 -16.373 30.6333 -16.373 19.0661 GPRESSAVG: 1772800 -32.9642 -39.0007 33.5036 -35.7089 0.697091 -16.4379 30.3132 -14.9849 19.9149 TIMING: 1772800 CPU: 5588.91, 0.00323634/step Wall: 5588.91, 0.00323634/step, 2.9012 hours remaining, 238.667969 MB of memory in use. ENERGY: 1772800 4011.6809 20652.5693 14526.8029 257.0453 -202975.7427 2429.3094 0.0000 0.0000 52049.4532 -109048.8818 299.1289 -161098.3350 -108684.4577 300.0811 -219.8622 -196.0876 763092.5110 -4.0558 -4.1174 PRESSURE: 1773000 -61.8593 -11.7535 -141.184 -11.7541 91.4671 102.164 -141.185 102.163 132.61 GPRESSURE: 1773000 -62.175 -80.4131 -165.358 6.83788 87.6189 91.9905 -13.6602 -82.5808 208.625 PRESSAVG: 1773000 -5.82251 -47.1681 2.9425 -47.1681 -31.7952 -48.8201 2.94251 -48.8202 -13.1702 GPRESSAVG: 1773000 -4.84632 -47.3208 0.10383 -47.8853 -32.3006 -48.5291 5.97036 -49.0526 -13.6521 TIMING: 1773000 CPU: 5589.54, 0.00318877/step Wall: 5589.54, 0.00318877/step, 2.85838 hours remaining, 238.667969 MB of memory in use. ENERGY: 1773000 3896.2982 20434.9454 14556.6511 256.1623 -203161.9099 2580.9784 0.0000 0.0000 52238.0689 -109198.8057 300.2129 -161436.8746 -108838.6310 299.4528 54.0725 78.0230 761627.3983 -16.9293 -16.9330 PRESSURE: 1773200 192.992 164.119 190.331 164.118 -370.165 90.5726 190.331 90.5735 77.1973 GPRESSURE: 1773200 249.326 196.993 207.004 140.013 -282.106 80.2626 200.385 136.476 13.8184 PRESSAVG: 1773200 48.8941 66.339 -6.38668 66.339 10.6827 -2.20726 -6.38669 -2.20726 2.06102 GPRESSAVG: 1773200 48.2154 64.9805 -7.53925 66.9328 11.9902 -2.27377 -8.98125 -3.9429 1.90585 TIMING: 1773200 CPU: 5590.18, 0.00319195/step Wall: 5590.18, 0.00319195/step, 2.86105 hours remaining, 238.667969 MB of memory in use. ENERGY: 1773200 4017.1128 20631.5141 14493.9681 251.3404 -203175.6171 2467.4851 0.0000 0.0000 52253.8302 -109060.3665 300.3035 -161314.1967 -108695.8649 300.2780 -33.3252 -6.3204 761814.1859 20.5460 20.7038 PRESSURE: 1773400 37.617 98.7056 -108.984 98.7059 268.914 -114.434 -108.984 -114.434 2.83923 GPRESSURE: 1773400 89.0735 90.9866 -32.3972 60.9341 265.861 -143.424 -63.8516 -1.61961 39.4954 PRESSAVG: 1773400 33.3253 58.0557 -16.2908 58.0557 -37.4384 -1.14124 -16.2909 -1.14118 17.8862 GPRESSAVG: 1773400 32.0734 58.6672 -15.2305 57.4595 -37.416 -1.87138 -15.7955 2.13941 19.1295 TIMING: 1773400 CPU: 5590.83, 0.00321041/step Wall: 5590.83, 0.00321041/step, 2.87742 hours remaining, 238.667969 MB of memory in use. ENERGY: 1773400 4026.2271 20637.6509 14448.9527 272.0995 -203703.7925 2850.6962 0.0000 0.0000 52294.4988 -109173.6673 300.5372 -161468.1661 -108809.2737 300.6355 103.1233 131.4767 761744.2908 4.5911 4.5957 PRESSURE: 1773600 -91.2484 -158.802 86.857 -158.802 256.646 194.637 86.8575 194.636 -117.548 GPRESSURE: 1773600 -27.5133 -152.218 45.7485 -76.33 220.85 165.353 24.472 110.245 -57.9357 PRESSAVG: 1773600 13.4852 10.9555 10.4992 10.9555 7.54462 -34.1992 10.4992 -34.1993 -6.46808 GPRESSAVG: 1773600 15.5165 11.6231 10.8794 12.524 7.407 -34.9636 10.4175 -35.4145 -7.75026 TIMING: 1773600 CPU: 5591.46, 0.00317445/step Wall: 5591.46, 0.00317445/step, 2.84501 hours remaining, 238.667969 MB of memory in use. ENERGY: 1773600 3975.9325 20658.6362 14535.1417 249.5016 -203247.3649 2515.5672 0.0000 0.0000 52066.2634 -109246.3223 299.2255 -161312.5857 -108874.0941 299.9762 15.9496 45.1337 763852.0389 4.8539 5.0578 PRESSURE: 1773800 -77.3962 -309.852 11.6959 -309.852 -109.975 -7.97851 11.6956 -7.97895 -42.4775 GPRESSURE: 1773800 -65.1066 -259.407 0.0720209 -263.124 -34.7583 -91.0228 -21.4482 61.9521 -36.8025 PRESSAVG: 1773800 35.1232 13.4919 -38.9303 13.492 28.4815 -29.7477 -38.9302 -29.7477 11.6246 GPRESSAVG: 1773800 35.1304 13.5711 -39.5249 12.5059 27.4869 -28.6185 -37.5798 -31.2862 12.3874 TIMING: 1773800 CPU: 5592.1, 0.00318748/step Wall: 5592.1, 0.00318748/step, 2.85652 hours remaining, 238.667969 MB of memory in use. ENERGY: 1773800 4051.6012 20579.9629 14536.0386 256.0758 -203557.1986 2675.4289 0.0000 0.0000 52451.4097 -109006.6816 301.4390 -161458.0913 -108647.1052 300.3607 -76.6161 -45.5558 762544.7530 25.0764 25.0016 PRESSURE: 1774000 -28.5375 -115.18 -148.186 -115.179 -227.396 -148.849 -148.187 -148.848 -180.47 GPRESSURE: 1774000 -17.9782 -108.626 -192.586 -84.3739 -95.5143 -113.144 -111.055 -180.125 -211.253 PRESSAVG: 1774000 -21.0668 -9.78026 30.3458 -9.78021 6.84463 -21.5749 30.3458 -21.5749 -12.0954 GPRESSAVG: 1774000 -21.5712 -10.3694 30.233 -10.8503 7.35934 -22.2167 27.8242 -20.7331 -11.7395 TIMING: 1774000 CPU: 5592.74, 0.00320488/step Wall: 5592.74, 0.00320488/step, 2.87192 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1774000 3955.9631 20489.5959 14477.1178 244.1674 -203035.4852 2361.8753 0.0000 0.0000 52436.2603 -109070.5053 301.3519 -161506.7657 -108703.6454 300.2565 -145.4680 -108.2484 763451.3978 -8.7725 -8.6505 PRESSURE: 1774200 104.367 -159.921 152.32 -159.921 178.068 135.262 152.319 135.261 116.177 GPRESSURE: 1774200 108.032 -93.2182 28.2996 -115.419 189.424 131.835 194.703 92.4449 187.122 PRESSAVG: 1774200 -90.2536 56.7712 27.2428 56.7712 53.9949 11.5399 27.2427 11.54 13.2545 GPRESSAVG: 1774200 -90.7371 56.9035 27.1216 56.5613 53.5273 12.7565 27.9033 10.777 13.7498 TIMING: 1774200 CPU: 5593.38, 0.00321664/step Wall: 5593.38, 0.00321664/step, 2.88229 hours remaining, 238.667969 MB of memory in use. ENERGY: 1774200 3997.6725 20556.5787 14522.7555 255.1168 -203383.0174 2710.0338 0.0000 0.0000 52194.9508 -109145.9092 299.9651 -161340.8600 -108783.8084 300.1232 132.8708 161.5261 761132.6899 -7.6681 -7.8200 PRESSURE: 1774400 -18.5594 117.256 71.7498 117.255 -13.6946 200.04 71.7504 200.041 -29.6762 GPRESSURE: 1774400 51.0273 141.332 17.6488 84.3554 35.4249 186.815 80.9178 134.83 -66.6314 PRESSAVG: 1774400 -23.2151 26.1901 -19.2724 26.1901 21.3679 51.9176 -19.2724 51.9175 -8.63122 GPRESSAVG: 1774400 -23.7385 25.5746 -19.0462 27.0759 22.9077 49.2378 -18.2223 52.7739 -9.6558 TIMING: 1774400 CPU: 5594.02, 0.00319524/step Wall: 5594.02, 0.00319524/step, 2.86293 hours remaining, 238.667969 MB of memory in use. ENERGY: 1774400 4037.6761 20521.3902 14527.2183 247.5235 -203248.5500 2412.9566 0.0000 0.0000 52274.5637 -109227.2216 300.4226 -161501.7853 -108856.7462 300.0560 -20.6434 6.6069 762557.9485 -3.4928 -3.4955 PRESSURE: 1774600 -32.4406 32.3841 -220.874 32.3833 64.3754 21.8248 -220.873 21.8245 84.9631 GPRESSURE: 1774600 -18.1003 4.62781 -282.893 43.6709 101.026 6.33182 -297.99 52.0839 105.636 PRESSAVG: 1774600 0.0942841 53.8652 -3.60587 53.8652 -0.448808 9.19423 -3.60588 9.19423 32.9504 GPRESSAVG: 1774600 1.09225 53.1527 -4.20007 53.6201 -1.60409 12.6047 -4.95828 7.93421 32.841 TIMING: 1774600 CPU: 5594.66, 0.00319782/step Wall: 5594.66, 0.00319782/step, 2.86507 hours remaining, 238.667969 MB of memory in use. ENERGY: 1774600 3913.3579 20805.1928 14517.6611 248.3808 -203363.9480 2760.9487 0.0000 0.0000 51936.2028 -109182.2040 298.4781 -161118.4068 -108835.0011 299.5646 38.9660 62.8537 763443.6038 10.8653 10.7764 PRESSURE: 1774800 46.7522 31.8546 126.337 31.8544 29.5921 70.636 126.336 70.6362 99.3144 GPRESSURE: 1774800 89.0216 117.99 122.032 -28.9988 72.3423 36.0007 176.82 -95.8583 78.5476 PRESSAVG: 1774800 -2.21228 1.23093 20.577 1.23094 -20.9678 12.6075 20.577 12.6075 3.401 GPRESSAVG: 1774800 -3.23986 4.03277 21.0438 0.0697076 -20.7808 12.5031 22.1363 13.2856 3.91953 TIMING: 1774800 CPU: 5595.3, 0.00320976/step Wall: 5595.3, 0.00320976/step, 2.87559 hours remaining, 238.667969 MB of memory in use. ENERGY: 1774800 4009.7242 20821.9244 14476.4240 259.0496 -203254.3084 2553.7480 0.0000 0.0000 52086.9403 -109046.4978 299.3444 -161133.4381 -108683.6148 300.0225 58.5529 79.9705 762595.9952 -6.5930 -6.7004 PRESSURE: 1775000 143.113 -78.5105 -85.7048 -78.5097 133.947 69.2745 -85.7045 69.2751 556.169 GPRESSURE: 1775000 174.726 -62.1274 -136.701 -11.8386 227.478 108.389 -176.026 182.617 518.94 PRESSAVG: 1775000 -24.1875 21.3838 -38.4773 21.384 9.8293 -7.52485 -38.4773 -7.52489 6.89626 GPRESSAVG: 1775000 -24.1545 20.6475 -37.5449 22.6549 10.3368 -8.55992 -39.8625 -6.76935 6.10212 TIMING: 1775000 CPU: 5595.94, 0.00319068/step Wall: 5595.94, 0.00319068/step, 2.85832 hours remaining, 238.667969 MB of memory in use. ENERGY: 1775000 3972.3451 20582.3834 14454.3202 258.1203 -203430.9037 2736.3045 0.0000 0.0000 52292.1875 -109135.2427 300.5239 -161427.4302 -108770.8082 300.2676 277.7432 307.0481 760971.0217 -2.4873 -2.5719 PRESSURE: 1775200 191.652 -5.17448 217.448 -5.17547 -129.184 19.3226 217.447 19.3225 43.4739 GPRESSURE: 1775200 178.885 104.678 259.955 -33.8688 -113.952 11.8283 191.111 30.0192 136.524 PRESSAVG: 1775200 22.4591 6.98078 11.4239 6.98079 -46.4167 -3.10483 11.4239 -3.10485 -11.9947 GPRESSAVG: 1775200 22.8856 5.58783 11.3419 7.89338 -46.2595 -3.59797 12.2728 -3.45381 -12.3305 TIMING: 1775200 CPU: 5596.58, 0.00322/step Wall: 5596.58, 0.00322/step, 2.88441 hours remaining, 238.667969 MB of memory in use. ENERGY: 1775200 4033.7856 20635.4338 14485.1921 254.4387 -203062.7886 2267.6249 0.0000 0.0000 52158.5482 -109227.7653 299.7559 -161386.3135 -108873.8284 300.0097 35.3138 67.1520 760570.8499 -11.9841 -11.9015 PRESSURE: 1775400 78.0582 -170.685 -17.939 -170.685 -182.888 -49.6615 -17.9391 -49.6624 -52.0067 GPRESSURE: 1775400 129.29 -115.173 -128.468 -70.7695 -215.512 62.4761 -73.7541 -27.7746 14.3027 PRESSAVG: 1775400 10.4412 43.8692 -5.69659 43.8692 -44.5351 -32.7101 -5.6966 -32.7102 18.5898 GPRESSAVG: 1775400 10.6366 44.9125 -8.27502 43.5658 -46.0563 -32.4251 -5.70074 -30.8639 20.0522 TIMING: 1775400 CPU: 5597.23, 0.00321248/step Wall: 5597.23, 0.00321248/step, 2.87749 hours remaining, 238.667969 MB of memory in use. ENERGY: 1775400 4043.8039 20506.8648 14511.9805 246.7154 -203607.4785 2902.1368 0.0000 0.0000 52009.4401 -109386.5371 298.8990 -161395.9772 -109023.0371 299.9808 -52.2787 -23.9730 761991.9226 -5.1680 -5.1225 PRESSURE: 1775600 -27.1703 218.292 -205.446 218.292 460.723 -206.045 -205.445 -206.046 160.392 GPRESSURE: 1775600 80.0451 196.714 -259.774 195.954 535.061 -234.587 -120.388 -175.984 75.5356 PRESSAVG: 1775600 -19.232 20.3171 -60.6533 20.317 28.2363 -16.4279 -60.6533 -16.4279 -19.1361 GPRESSAVG: 1775600 -18.3005 19.6779 -60.2814 19.0464 27.8956 -15.5828 -60.3185 -16.1627 -19.7812 TIMING: 1775600 CPU: 5597.87, 0.00320352/step Wall: 5597.87, 0.00320352/step, 2.86928 hours remaining, 238.667969 MB of memory in use. ENERGY: 1775600 4008.4595 20364.5850 14521.3120 254.4080 -203646.1192 2805.4027 0.0000 0.0000 52354.8097 -109337.1421 300.8838 -161691.9518 -108970.9497 299.7135 197.9818 230.2139 762037.5166 -3.3773 -3.3954 PRESSURE: 1775800 224.163 58.0807 26.2796 58.0799 -161.357 73.3022 26.2797 73.3028 121.007 GPRESSURE: 1775800 279.895 2.64913 78.2905 94.6092 -74.7255 74.6208 82.8592 14.0775 74.1272 PRESSAVG: 1775800 -15.1578 35.6265 0.774318 35.6265 20.9313 -35.6467 0.774371 -35.6468 -7.18559 GPRESSAVG: 1775800 -15.7578 36.0433 1.34996 35.306 22.3613 -36.5068 1.14294 -36.7532 -8.02596 TIMING: 1775800 CPU: 5598.5, 0.00315881/step Wall: 5598.5, 0.00315881/step, 2.82907 hours remaining, 238.667969 MB of memory in use. ENERGY: 1775800 3932.1205 20509.1536 14486.6563 244.5299 -203334.9596 2540.6336 0.0000 0.0000 52343.2439 -109278.6218 300.8173 -161621.8658 -108910.3835 299.7278 61.2708 93.0990 761056.8346 -0.4707 -0.4742 PRESSURE: 1776000 69.0261 15.6582 80.9012 15.6578 16.9081 205.895 80.9012 205.895 57.0889 GPRESSURE: 1776000 120.135 97.1102 -22.1126 86.3566 91.0326 237.697 145.332 132.596 21.4094 PRESSAVG: 1776000 -9.50994 -26.2455 32.5598 -26.2455 -12.8379 -26.8248 32.5598 -26.8248 24.6109 GPRESSAVG: 1776000 -9.6472 -27.5733 33.7769 -24.3273 -14.2 -26.7156 31.1016 -26.0545 26.3774 TIMING: 1776000 CPU: 5599.13, 0.0031772/step Wall: 5599.13, 0.0031772/step, 2.84536 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1776000 3980.4597 20444.3235 14532.8426 216.5570 -202877.9072 2480.8330 0.0000 0.0000 51865.9198 -109356.9716 298.0742 -161222.8914 -109017.1236 299.2642 47.6744 77.5257 762541.0365 0.7544 0.8434 PRESSURE: 1776200 -6.41385 -27.6096 -268.837 -27.6094 -394.007 -208.117 -268.837 -208.116 121.363 GPRESSURE: 1776200 5.60186 109.07 -291.391 3.41244 -326.947 -261.375 -284.588 -104.217 139.937 PRESSAVG: 1776200 94.6441 -49.0666 24.3045 -49.0665 -20.4486 -54.9601 24.3045 -54.9601 -19.288 GPRESSAVG: 1776200 94.0591 -50.4514 24.239 -47.8863 -19.4945 -53.6591 25.9028 -52.996 -20.0817 TIMING: 1776200 CPU: 5599.77, 0.00318425/step Wall: 5599.77, 0.00318425/step, 2.8515 hours remaining, 238.667969 MB of memory in use. ENERGY: 1776200 3932.3161 20502.7406 14513.6515 258.6403 -203166.9500 2611.7848 0.0000 0.0000 52143.5010 -109204.3157 299.6694 -161347.8167 -108839.2184 299.4164 -93.0194 -60.4692 761983.9160 18.3025 18.1610 LDB: ============= START OF LOAD BALANCING ============== 5612.17 LDB: ============== END OF LOAD BALANCING =============== 5612.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5612.17 LDB: ============= START OF LOAD BALANCING ============== 5612.49 LDB: Largest compute 7024 load 0.033143 is 16.9% of average load 0.195940 LDB: Average compute 0.004386 is 2.2% of average load 0.195940 LDB: TIME 5612.5 LOAD: AVG 0.19594 MAX 0.214645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.477 MB LDB: TIME 5612.5 LOAD: AVG 0.19594 MAX 0.214645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.477 MB LDB: TIME 5612.5 LOAD: AVG 0.19594 MAX 0.214645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.477 MB LDB: ============== END OF LOAD BALANCING =============== 5612.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5612.51 PRESSURE: 1776400 -106.724 7.76541 27.6604 7.76607 -253.715 50.885 27.6605 50.8844 -310.523 GPRESSURE: 1776400 -126.655 41.1378 -9.39804 70.5296 -132.765 11.4845 109.657 20.8295 -321.169 PRESSAVG: 1776400 5.89096 -14.5205 -26.5077 -14.5205 -20.4794 -27.7084 -26.5077 -27.7085 1.27018 GPRESSAVG: 1776400 6.3623 -11.615 -25.5362 -16.025 -21.5455 -27.0607 -28.1038 -31.9748 1.98564 TIMING: 1776400 CPU: 5600.42, 0.00325619/step Wall: 5600.42, 0.00325619/step, 2.91574 hours remaining, 237.894531 MB of memory in use. ENERGY: 1776400 4041.6262 20455.3360 14425.5282 246.1563 -203134.1143 2382.5774 0.0000 0.0000 52179.3131 -109403.5771 299.8752 -161582.8902 -109041.3533 299.2212 -223.6542 -193.5299 763383.9484 -4.4394 -4.3992 PRESSURE: 1776600 216.828 -50.2396 255.666 -50.2401 -426.358 -118.142 255.666 -118.142 -104.132 GPRESSURE: 1776600 133.127 -84.3917 361.803 -5.27667 -233.6 -110.774 -21.0087 -85.9472 -144.228 PRESSAVG: 1776600 6.5692 -21.9308 27.8291 -21.9308 -24.1896 -65.7659 27.8291 -65.766 -9.93951 GPRESSAVG: 1776600 7.37449 -22.4363 26.2733 -23.3789 -23.1179 -68.3124 28.8562 -62.0179 -11.4367 TIMING: 1776600 CPU: 5601.06, 0.00319024/step Wall: 5601.06, 0.00319024/step, 2.85651 hours remaining, 238.097656 MB of memory in use. ENERGY: 1776600 4052.6262 20362.6692 14446.4842 232.5239 -203160.4134 2502.1690 0.0000 0.0000 52048.9906 -109514.9502 299.1263 -161563.9408 -109145.8223 299.3829 -104.5542 -81.5667 762980.3724 -9.1866 -9.0600 PRESSURE: 1776800 -401.439 147.744 199.926 147.744 -14.1317 -220.157 199.927 -220.157 -132.073 GPRESSURE: 1776800 -423.786 70.6879 146.748 120.944 54.6761 -169.662 161.665 -203.94 -89.3587 PRESSAVG: 1776800 30.667 -31.1627 35.01 -31.1627 8.554 2.69971 35.0101 2.69971 -8.54642 GPRESSAVG: 1776800 28.0945 -32.9958 35.0124 -29.3817 8.27888 4.46869 34.5717 1.89275 -6.32237 TIMING: 1776800 CPU: 5601.7, 0.00320364/step Wall: 5601.7, 0.00320364/step, 2.86832 hours remaining, 238.097656 MB of memory in use. ENERGY: 1776800 4085.3629 20471.5887 14455.8800 243.4945 -203491.5187 2579.3308 0.0000 0.0000 52025.9355 -109629.9264 298.9938 -161655.8619 -109273.6361 299.5163 -182.5480 -152.8230 762244.5615 10.2249 10.0170 PRESSURE: 1777000 -1.87773 -142.919 10.3283 -142.921 -184.784 64.4834 10.3288 64.4825 -88.8994 GPRESSURE: 1777000 38.9483 72.7698 5.56558 -108.237 -49.5063 30.2208 187.144 182.786 -178.125 PRESSAVG: 1777000 13.4797 -22.2404 30.234 -22.2404 10.1669 -11.5034 30.234 -11.5033 14.1312 GPRESSAVG: 1777000 15.7717 -17.1762 32.2385 -22.8304 9.89587 -11.4018 29.9735 -9.56641 12.0994 TIMING: 1777000 CPU: 5602.34, 0.00320178/step Wall: 5602.34, 0.00320178/step, 2.86649 hours remaining, 238.097656 MB of memory in use. ENERGY: 1777000 3905.5407 20542.7904 14435.6900 262.7582 -203423.5629 2830.8319 0.0000 0.0000 51844.7529 -109601.1988 297.9525 -161445.9518 -109245.8822 299.0146 -91.8536 -62.8944 760790.9395 12.5926 12.5890 PRESSURE: 1777200 28.2407 -86.8019 137.333 -86.8019 -392.949 -28.4457 137.333 -28.4455 130.498 GPRESSURE: 1777200 7.52395 -120.458 42.2454 -92.6526 -370.013 30.2938 31.5603 -31.2441 212.86 PRESSAVG: 1777200 21.8911 -5.28971 62.0811 -5.28976 9.49874 -3.86546 62.0811 -3.86551 0.77133 GPRESSAVG: 1777200 20.8427 -7.35965 60.8745 -4.59841 8.81004 -4.59096 62.6467 -4.04594 1.99609 TIMING: 1777200 CPU: 5602.98, 0.00320173/step Wall: 5602.98, 0.00320173/step, 2.86626 hours remaining, 238.097656 MB of memory in use. ENERGY: 1777200 4002.8799 20421.3011 14446.3480 239.8225 -203350.6069 2537.9478 0.0000 0.0000 52066.1641 -109636.1436 299.2250 -161702.3077 -109273.0608 298.9631 -78.0700 -49.8766 761260.1190 10.7204 10.5496 PRESSURE: 1777400 -115.383 -83.8196 -74.9004 -83.8194 -287.055 146.869 -74.9003 146.87 -86.4774 GPRESSURE: 1777400 -121.547 -100.176 -88.2669 -49.5049 -134.722 64.6804 99.1428 168.383 -146.205 PRESSAVG: 1777400 22.4984 -26.9304 23.4793 -26.9304 -18.1901 5.06851 23.4793 5.06849 8.75689 GPRESSAVG: 1777400 23.1542 -28.4561 23.2612 -25.7076 -17.4626 5.01326 23.4881 2.98417 7.29322 TIMING: 1777400 CPU: 5603.62, 0.00320528/step Wall: 5603.62, 0.00320528/step, 2.86926 hours remaining, 238.097656 MB of memory in use. ENERGY: 1777400 3988.5219 20534.7515 14506.0994 241.6371 -203453.5659 2541.1727 0.0000 0.0000 52103.3415 -109538.0417 299.4386 -161641.3832 -109175.2081 299.2247 -162.9718 -134.1580 762335.0307 4.3550 4.3283 PRESSURE: 1777600 -35.6868 14.7204 -241.272 14.7204 61.7492 -441.46 -241.272 -441.46 276.869 GPRESSURE: 1777600 -26.2421 -13.3873 -314.659 141.593 -6.38219 -526.154 -192.075 -398.841 407.959 PRESSAVG: 1777600 -24.7101 36.6932 -5.57491 36.6933 6.46915 -23.3016 -5.57493 -23.3014 0.486957 GPRESSAVG: 1777600 -24.9631 37.9057 -5.35377 37.6473 5.56281 -23.6047 -2.74781 -22.5524 1.49483 TIMING: 1777600 CPU: 5604.26, 0.0031987/step Wall: 5604.26, 0.0031987/step, 2.86319 hours remaining, 238.097656 MB of memory in use. ENERGY: 1777600 3917.2347 20562.5952 14449.1062 257.2437 -203685.4943 2579.9953 0.0000 0.0000 52322.1138 -109597.2055 300.6959 -161919.3193 -109233.9592 299.1090 100.9771 125.1114 761402.8405 -5.9180 -5.9685 PRESSURE: 1777800 17.1859 -157.58 1.78617 -157.58 157.3 -53.3302 1.786 -53.3308 -220.96 GPRESSURE: 1777800 107.795 -97.308 -20.8368 -16.4666 139.089 -64.123 69.7445 36.282 -178.396 PRESSAVG: 1777800 30.0515 15.7037 19.0486 15.7037 -39.2215 -79.8542 19.0485 -79.8543 8.48146 GPRESSAVG: 1777800 31.0382 14.4745 18.0015 14.5755 -39.8394 -78.6991 17.218 -81.5032 8.73436 TIMING: 1777800 CPU: 5604.9, 0.00320047/step Wall: 5604.9, 0.00320047/step, 2.8646 hours remaining, 238.097656 MB of memory in use. ENERGY: 1777800 4024.4622 20480.9423 14384.6686 259.6888 -203241.8902 2719.5238 0.0000 0.0000 51818.6990 -109553.9055 297.8028 -161372.6045 -109189.7529 298.7712 -15.4915 22.8292 763244.8883 -0.2295 -0.0223 PRESSURE: 1778000 267.71 185.141 17.8819 185.141 -35.049 -87.7395 17.8827 -87.7393 372.152 GPRESSURE: 1778000 329.15 89.5624 74.6017 110.333 9.98118 -77.2529 -46.8458 11.1784 378.571 PRESSAVG: 1778000 18.5831 6.33716 -15.1869 6.33721 9.67105 -25.0007 -15.1868 -25.0008 -13.5749 GPRESSAVG: 1778000 16.7924 5.70907 -13.6689 5.54228 11.4583 -25.9616 -16.9312 -23.5583 -14.2606 TIMING: 1778000 CPU: 5605.55, 0.00322073/step Wall: 5605.55, 0.00322073/step, 2.88255 hours remaining, 238.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1778000 4009.3714 20339.6587 14385.8552 244.1997 -203097.9973 2541.5131 0.0000 0.0000 52001.6288 -109575.7705 298.8541 -161577.3992 -109209.7029 299.1038 201.6044 239.2342 763298.2891 4.8931 4.6634 PRESSURE: 1778200 -197.098 -161.009 -48.6278 -161.009 -157.941 58.512 -48.6289 58.5118 81.134 GPRESSURE: 1778200 -163.253 -172.256 -50.9211 -222.963 -169.756 -45.1046 -8.0763 -0.424342 138.876 PRESSAVG: 1778200 39.8834 -29.5748 -16.6907 -29.5748 -0.0851129 -30.5289 -16.6907 -30.5289 17.9951 GPRESSAVG: 1778200 40.6285 -28.4095 -17.3151 -31.5126 -0.496647 -30.8179 -14.9528 -31.217 18.1057 TIMING: 1778200 CPU: 5606.18, 0.00317175/step Wall: 5606.18, 0.00317174/step, 2.83853 hours remaining, 238.097656 MB of memory in use. ENERGY: 1778200 4003.7991 20625.5563 14423.4929 250.4264 -203253.2218 2455.6790 0.0000 0.0000 51890.1097 -109604.1584 298.2132 -161494.2681 -109251.5055 298.8042 -91.3019 -64.7111 763064.9142 19.2645 19.4125 PRESSURE: 1778400 -333.797 177.483 -5.20514 177.483 -157.225 -196.24 -5.20514 -196.24 -115.525 GPRESSURE: 1778400 -266.406 107.179 -113.881 35.4426 -119.162 -294.52 -2.2541 -129.188 -141.22 PRESSAVG: 1778400 -5.64542 -17.0928 67.8929 -17.0927 -28.7693 -29.1922 67.8929 -29.1922 -18.1723 GPRESSAVG: 1778400 -6.04252 -15.5619 66.8568 -16.6765 -28.7382 -28.1038 65.8775 -28.1693 -18.0667 TIMING: 1778400 CPU: 5606.82, 0.00317437/step Wall: 5606.82, 0.00317437/step, 2.84071 hours remaining, 238.097656 MB of memory in use. ENERGY: 1778400 3935.4919 20397.0443 14530.5422 264.1782 -203044.5032 2363.3450 0.0000 0.0000 51898.6918 -109655.2098 298.2625 -161553.9016 -109290.5721 299.1761 -202.1823 -175.5958 760956.6211 -17.5290 -17.6158 PRESSURE: 1778600 -118.765 -58.9235 30.4019 -58.9236 -180.847 91.2888 30.4014 91.2888 -545.214 GPRESSURE: 1778600 -159.377 -84.8979 79.9097 99.5158 -104.463 32.7894 69.5707 -9.7943 -492.923 PRESSAVG: 1778600 8.46258 -24.5839 18.8089 -24.584 -28.4619 44.327 18.8088 44.3269 -15.3404 GPRESSAVG: 1778600 8.13106 -24.5832 18.8477 -25.3718 -27.4171 44.584 20.5769 41.4254 -16.332 TIMING: 1778600 CPU: 5607.45, 0.00318566/step Wall: 5607.45, 0.00318566/step, 2.85063 hours remaining, 238.097656 MB of memory in use. ENERGY: 1778600 4116.6604 20562.2853 14437.9511 250.6436 -203329.9529 2520.6774 0.0000 0.0000 51698.8342 -109742.9009 297.1139 -161441.7351 -109387.1832 299.0892 -281.6088 -252.2541 762412.7111 -11.7799 -11.8727 PRESSURE: 1778800 -87.5111 112.086 68.5943 112.087 -363.575 148.304 68.5947 148.303 -269.969 GPRESSURE: 1778800 -90.0199 112.493 13.0573 88.5882 -240.306 177.133 148.356 113.483 -306.185 PRESSAVG: 1778800 0.0927335 21.554 61.9634 21.554 -56.6597 37.7413 61.9633 37.7412 -17.7697 GPRESSAVG: 1778800 0.388699 19.1471 62.6983 24.0267 -58.2997 36.8844 61.0688 39.4942 -16.5417 TIMING: 1778800 CPU: 5608.09, 0.00317856/step Wall: 5608.09, 0.00317856/step, 2.8441 hours remaining, 238.097656 MB of memory in use. ENERGY: 1778800 4068.7908 20417.1398 14420.6020 243.4667 -203473.9272 2696.2918 0.0000 0.0000 51919.7348 -109707.9013 298.3834 -161627.6360 -109349.5113 298.5829 -240.3519 -212.1703 762163.8436 -24.7789 -24.8176 PRESSURE: 1779000 -233.979 -188.332 122.45 -188.332 92.3021 -145.919 122.45 -145.919 49.0678 GPRESSURE: 1779000 -201.65 -198.18 144.884 -132.494 110.928 -153.471 35.7267 -155.045 74.1084 PRESSAVG: 1779000 28.9305 7.77239 38.1951 7.7724 -17.6134 -8.60926 38.1951 -8.60924 -9.40349 GPRESSAVG: 1779000 30.0238 9.18814 37.6135 6.81844 -18.2145 -8.93768 37.8258 -8.96549 -10.5258 TIMING: 1779000 CPU: 5608.73, 0.00320142/step Wall: 5608.73, 0.00320142/step, 2.86438 hours remaining, 238.097656 MB of memory in use. ENERGY: 1779000 3977.3585 20519.8382 14467.9837 247.3793 -203777.1635 2754.4738 0.0000 0.0000 52132.2427 -109677.8873 299.6047 -161810.1300 -109324.6407 298.4916 -30.8697 -5.5380 761150.9068 0.6379 0.4278 PRESSURE: 1779200 -341.336 -90.6725 41.1661 -90.6724 -248.446 61.5525 41.1671 61.5523 -68.0745 GPRESSURE: 1779200 -287.405 -163.065 -22.5054 68.7996 -174.549 127.291 -55.035 66.6028 -77.3207 PRESSAVG: 1779200 -22.1454 -40.4777 -2.90733 -40.4776 34.9434 42.7784 -2.90731 42.7783 11.7569 GPRESSAVG: 1779200 -21.9745 -39.8257 -1.3102 -39.7 34.6793 41.8907 -3.1423 43.514 11.6294 TIMING: 1779200 CPU: 5609.37, 0.00318781/step Wall: 5609.37, 0.00318781/step, 2.85202 hours remaining, 238.097656 MB of memory in use. ENERGY: 1779200 4015.5000 20282.7440 14375.3880 238.2128 -203018.7100 2534.0894 0.0000 0.0000 51980.7655 -109592.0102 298.7342 -161572.7758 -109223.3883 298.7048 -219.2853 -179.7582 763899.1148 8.1850 8.1114 PRESSURE: 1779400 322.807 87.5272 -86.3647 87.5277 -234.414 -79.3312 -86.3646 -79.3313 -357.746 GPRESSURE: 1779400 277.537 47.5357 -126.307 43.3335 -139.906 -39.6967 -167.789 9.62275 -326.134 PRESSAVG: 1779400 10.2127 -46.6055 -4.51764 -46.6055 -37.1479 29.0434 -4.51761 29.0434 -16.1077 GPRESSAVG: 1779400 8.93886 -45.3154 -7.08743 -47.5442 -36.719 31.1873 -4.51698 28.6076 -15.6282 TIMING: 1779400 CPU: 5610, 0.0031834/step Wall: 5610, 0.0031834/step, 2.8479 hours remaining, 238.097656 MB of memory in use. ENERGY: 1779400 3943.2387 20614.3993 14418.0284 250.4676 -203217.6041 2651.1185 0.0000 0.0000 51907.0469 -109433.3047 298.3105 -161340.3516 -109069.9179 298.7143 -89.7844 -62.8343 764132.4216 -14.3476 -14.4694 PRESSURE: 1779600 23.5304 -29.1129 -46.8241 -29.1123 243.618 37.8018 -46.824 37.8015 178.501 GPRESSURE: 1779600 77.2495 -72.4976 -72.1131 -58.6126 293.026 94.0205 63.5817 65.4764 188.319 PRESSAVG: 1779600 19.9946 -19.104 -10.0429 -19.1041 -2.27158 6.68093 -10.0429 6.68092 -13.4327 GPRESSAVG: 1779600 20.6917 -19.1649 -8.5704 -20.7196 -1.89267 4.10445 -10.2195 9.66406 -14.6996 TIMING: 1779600 CPU: 5610.64, 0.00319873/step Wall: 5610.64, 0.00319873/step, 2.86144 hours remaining, 238.097656 MB of memory in use. ENERGY: 1779600 4009.5940 20517.7171 14448.6699 240.1118 -203648.7181 2822.2297 0.0000 0.0000 52087.0521 -109523.3435 299.3450 -161610.3956 -109162.3723 299.0763 148.5500 186.1982 763330.1086 1.4301 1.3665 PRESSURE: 1779800 -247.774 -149.888 309.777 -149.888 112.556 -26.3662 309.778 -26.3646 -156.83 GPRESSURE: 1779800 -216.254 -263.785 334.058 -200.47 138.317 -146.583 232.217 -13.1929 -118.028 PRESSAVG: 1779800 -22.5863 21.6212 -15.9624 21.6213 36.211 7.71417 -15.9624 7.71411 -1.02052 GPRESSAVG: 1779800 -21.4926 20.3788 -15.2928 20.4218 34.8758 8.75611 -15.8383 4.16015 -0.402715 TIMING: 1779800 CPU: 5611.29, 0.00320976/step Wall: 5611.29, 0.00320976/step, 2.87113 hours remaining, 238.097656 MB of memory in use. ENERGY: 1779800 3929.2790 20318.1569 14458.6253 249.9779 -203723.9795 3013.1616 0.0000 0.0000 52195.9300 -109558.8489 299.9707 -161754.7789 -109194.7250 298.8198 -97.3490 -65.3219 763045.3833 4.2014 4.3268 PRESSURE: 1780000 -2.24642 -87.8881 -146.256 -87.8882 49.389 21.6378 -146.257 21.6386 167.976 GPRESSURE: 1780000 85.9514 -170.213 -133.389 -102.729 17.2182 39.9349 -192.776 -156.288 212.656 PRESSAVG: 1780000 51.5759 -57.2839 20.204 -57.2839 -80.2528 6.50887 20.204 6.50885 12.4474 GPRESSAVG: 1780000 49.5312 -59.2665 20.4989 -54.8496 -79.5475 7.18246 20.5473 7.75821 13.1931 TIMING: 1780000 CPU: 5611.93, 0.00321358/step Wall: 5611.93, 0.00321358/step, 2.87437 hours remaining, 238.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1780000 3969.9874 20465.4745 14461.8124 258.2229 -203590.1351 2888.0124 0.0000 0.0000 52059.3798 -109487.2457 299.1860 -161546.6254 -109132.7220 298.9499 71.7063 105.2752 761775.7246 -5.4098 -5.6077 PRESSURE: 1780200 -167.44 -151.459 125.854 -151.459 -48.7073 -141.109 125.853 -141.11 -224.519 GPRESSURE: 1780200 -93.3124 -76.5495 139.478 -51.7161 -123.498 -159.247 279.516 93.412 -146.414 PRESSAVG: 1780200 2.37149 -70.7178 34.9622 -70.7178 7.26476 -4.3726 34.9622 -4.37263 -1.38583 GPRESSAVG: 1780200 3.24745 -67.3664 34.2373 -70.4713 6.66312 -4.16028 33.0564 -3.425 -1.6329 TIMING: 1780200 CPU: 5612.56, 0.003182/step Wall: 5612.56, 0.003182/step, 2.84594 hours remaining, 238.097656 MB of memory in use. ENERGY: 1780200 3977.8223 20432.5479 14394.6096 263.5271 -202916.2581 2155.5694 0.0000 0.0000 52073.8616 -109618.3202 299.2692 -161692.1818 -109259.3390 298.7866 -146.8890 -121.0748 764077.2946 2.7501 2.7592 LDB: ============= START OF LOAD BALANCING ============== 5624.96 LDB: ============== END OF LOAD BALANCING =============== 5624.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5624.97 LDB: ============= START OF LOAD BALANCING ============== 5625.29 LDB: Largest compute 7034 load 0.035526 is 18.1% of average load 0.195935 LDB: Average compute 0.004398 is 2.2% of average load 0.195935 LDB: TIME 5625.29 LOAD: AVG 0.195935 MAX 0.216697 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.477 MB LDB: TIME 5625.29 LOAD: AVG 0.195935 MAX 0.216697 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: TIME 5625.29 LOAD: AVG 0.195935 MAX 0.216697 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: ============== END OF LOAD BALANCING =============== 5625.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5625.3 PRESSURE: 1780400 -34.5732 -5.06491 -37.3941 -5.06458 156.401 -190.295 -37.3932 -190.295 89.173 GPRESSURE: 1780400 43.4985 80.955 -38.3851 -12.27 202.365 -212.516 54.6207 -239.073 47.7009 PRESSAVG: 1780400 -11.6871 -21.2915 -23.0463 -21.2914 28.0635 -37.6161 -23.0464 -37.6161 -4.98569 GPRESSAVG: 1780400 -12.6023 -22.0024 -23.58 -19.8271 29.8134 -39.0634 -20.7161 -39.4039 -5.22871 TIMING: 1780400 CPU: 5613.22, 0.00325582/step Wall: 5613.22, 0.00325582/step, 2.91179 hours remaining, 239.382812 MB of memory in use. ENERGY: 1780400 4074.3398 20525.9170 14406.0555 250.7440 -203681.5455 3022.2129 0.0000 0.0000 51903.2517 -109499.0247 298.2887 -161402.2764 -109152.2586 298.9023 70.3335 97.8548 761861.4240 3.7969 3.9941 PRESSURE: 1780600 -197.464 45.1134 271.969 45.1133 -283.621 -113.508 271.969 -113.508 -525.799 GPRESSURE: 1780600 -232.3 6.18913 292.447 3.2215 -229.967 -132.688 176.135 -182.96 -453.441 PRESSAVG: 1780600 20.9771 8.64922 12.6205 8.64917 -47.2148 6.04516 12.6205 6.0451 -7.66839 GPRESSAVG: 1780600 22.9476 6.78818 14.3977 8.54883 -49.001 5.65065 9.60748 6.68455 -7.78955 TIMING: 1780600 CPU: 5613.86, 0.00322767/step Wall: 5613.86, 0.00322767/step, 2.88644 hours remaining, 239.382812 MB of memory in use. ENERGY: 1780600 4090.4818 20395.0722 14463.1529 272.3905 -202879.9112 2273.1410 0.0000 0.0000 52077.2825 -109308.3904 299.2889 -161385.6728 -108940.9078 299.4528 -335.6281 -305.2358 762502.2024 -11.3020 -11.2810 PRESSURE: 1780800 103 86.4143 -116.179 86.4145 169.879 -15.0637 -116.179 -15.0636 7.4853 GPRESSURE: 1780800 90.9582 102.707 11.6156 14.6226 253.9 77.5648 -81.4522 20.032 50.1332 PRESSAVG: 1780800 25.8961 -16.6551 25.0231 -16.6551 -31.8866 44.5034 25.0231 44.5032 -1.95894 GPRESSAVG: 1780800 24.8174 -16.3367 24.5786 -16.2993 -30.1109 45.0767 26.7666 44.3368 -3.32756 TIMING: 1780800 CPU: 5614.5, 0.00321652/step Wall: 5614.5, 0.00321651/step, 2.87628 hours remaining, 239.382812 MB of memory in use. ENERGY: 1780800 3994.1696 20456.1664 14501.9541 235.2126 -203614.0211 2855.6495 0.0000 0.0000 52214.6418 -109356.2271 300.0783 -161570.8690 -108982.1661 299.5864 93.4550 131.6639 760598.5303 -2.6498 -2.8737 PRESSURE: 1781000 40.92 152.215 -15.4546 152.214 -245.93 69.2946 -15.4543 69.2952 251.569 GPRESSURE: 1781000 67.3065 96.2206 28.1884 128.918 -168.002 -36.4849 28.7171 137.791 233.444 PRESSAVG: 1781000 34.6884 7.43543 19.1747 7.43537 -63.1484 -17.4307 19.1746 -17.4307 4.0396 GPRESSAVG: 1781000 34.782 6.44497 20.6451 7.56358 -64.7199 -18.6675 19.6587 -17.2216 5.71151 TIMING: 1781000 CPU: 5615.15, 0.0032028/step Wall: 5615.15, 0.0032028/step, 2.86384 hours remaining, 239.382812 MB of memory in use. ENERGY: 1781000 4065.3843 20524.0096 14430.9684 270.9870 -203303.1174 2650.2236 0.0000 0.0000 52016.2249 -109345.3196 298.9380 -161361.5445 -108988.2432 299.1817 15.5195 44.2495 762532.1477 -8.1401 -8.0754 PRESSURE: 1781200 -116.817 -130.113 39.5314 -130.113 -74.3301 -71.9492 39.5312 -71.9504 160.659 GPRESSURE: 1781200 -92.6007 -132.849 -26.2572 14.2355 -97.6637 -118.199 -53.1499 -43.5494 249.332 PRESSAVG: 1781200 75.5023 8.04372 -1.02468 8.0437 -43.9198 -21.1895 -1.02472 -21.1894 19.6306 GPRESSAVG: 1781200 73.9826 10.3672 -3.23667 7.43026 -43.9959 -21.6082 -1.47049 -19.7328 20.8441 TIMING: 1781200 CPU: 5615.79, 0.00321931/step Wall: 5615.79, 0.00321931/step, 2.87842 hours remaining, 239.382812 MB of memory in use. ENERGY: 1781200 4036.5029 20501.1139 14501.9039 247.4525 -203212.3716 2596.0976 0.0000 0.0000 51920.6480 -109408.6528 298.3887 -161329.3008 -109036.7060 299.4521 -10.1630 19.6894 762477.4478 17.0711 16.9436 PRESSURE: 1781400 -273.715 -1.35795 -264.961 -1.35696 -125.547 15.4252 -264.96 15.4253 119.379 GPRESSURE: 1781400 -225.391 -14.8473 -242.629 -35.2519 -48.7235 11.9555 -235.625 -21.7817 73.7942 PRESSAVG: 1781400 25.4509 13.0113 4.57493 13.0113 -55.8499 -31.997 4.575 -31.997 -11.8934 GPRESSAVG: 1781400 26.7929 13.4983 5.09362 11.7847 -55.4681 -28.5347 3.79196 -33.8785 -13.6034 TIMING: 1781400 CPU: 5616.42, 0.00316954/step Wall: 5616.42, 0.00316954/step, 2.83374 hours remaining, 239.382812 MB of memory in use. ENERGY: 1781400 3998.3469 20534.1091 14485.1370 242.3758 -203259.0449 2640.3875 0.0000 0.0000 51934.0117 -109424.6769 298.4655 -161358.6886 -109071.6592 298.7296 -93.2944 -66.7734 763162.9833 -14.0975 -14.0929 PRESSURE: 1781600 94.9796 15.2563 10.1185 15.2557 -40.8051 -120.706 10.1175 -120.707 -682.572 GPRESSURE: 1781600 -3.39823 26.0604 94.0225 50.7924 99.8621 -173.763 87.8511 -105.289 -639.311 PRESSAVG: 1781600 16.9041 16.9684 38.6807 16.9683 8.28843 12.2459 38.6807 12.2458 -15.4534 GPRESSAVG: 1781600 16.8986 18.3483 39.901 16.0075 8.25091 11.577 39.2521 12.2806 -15.0258 TIMING: 1781600 CPU: 5617.06, 0.00317616/step Wall: 5617.06, 0.00317617/step, 2.83949 hours remaining, 239.382812 MB of memory in use. ENERGY: 1781600 4035.1052 20605.2990 14383.5958 263.1798 -203572.9213 3102.7557 0.0000 0.0000 51870.9541 -109312.0318 298.1031 -161182.9859 -108944.6013 298.9104 -209.4657 -180.9491 762402.8681 3.2464 3.3746 PRESSURE: 1781800 -61.6785 -1.80535 249.341 -1.80546 -30.4786 106.665 249.34 106.665 -58.668 GPRESSURE: 1781800 -15.4744 75.8723 240.17 30.9275 -35.6037 82.5567 73.299 63.42 -12.155 PRESSAVG: 1781800 -15.5433 12.739 4.56204 12.739 -18.2956 24.1866 4.56201 24.1867 27.1022 GPRESSAVG: 1781800 -14.7271 9.60048 5.00794 15.9346 -18.0389 24.6977 4.74261 22.9088 25.9008 TIMING: 1781800 CPU: 5617.69, 0.00317183/step Wall: 5617.69, 0.00317183/step, 2.83544 hours remaining, 239.382812 MB of memory in use. ENERGY: 1781800 4014.9116 20464.7530 14406.6681 252.5258 -203280.8204 2795.3626 0.0000 0.0000 52201.9099 -109144.6895 300.0051 -161346.5995 -108787.0587 299.7316 -50.2751 -21.0777 762378.9786 -2.2456 -2.2884 PRESSURE: 1782000 -397.683 -3.20686 -15.9745 -3.20783 -418.438 -156.821 -15.9737 -156.82 17.1171 GPRESSURE: 1782000 -336.858 42.4304 99.4608 -117.581 -409.498 -149.718 -26.3435 -39.9085 4.74195 PRESSAVG: 1782000 14.4673 27.9453 12.9092 27.9453 -17.3146 -3.55313 12.9092 -3.55313 -24.3088 GPRESSAVG: 1782000 12.842 29.5914 11.4655 25.6241 -18.1993 -3.95023 13.7233 -2.8251 -21.5691 TIMING: 1782000 CPU: 5618.33, 0.00316993/step Wall: 5618.33, 0.00316993/step, 2.83356 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1782000 4038.9970 20547.7143 14457.7175 249.7036 -202599.8973 2296.3413 0.0000 0.0000 51844.7792 -109164.6445 297.9527 -161009.4237 -108813.0319 299.5171 -266.3346 -247.2046 764672.7497 -9.0520 -8.9755 PRESSURE: 1782200 52.5486 121.88 259.845 121.881 320.718 243.126 259.846 243.126 113.387 GPRESSURE: 1782200 139.796 93.1661 160.358 95.9005 311.176 241.379 182.388 93.5369 125.813 PRESSAVG: 1782200 -38.4988 -18.0654 20.9402 -18.0654 27.0808 25.1166 20.9403 25.1167 -2.61481 GPRESSAVG: 1782200 -37.6483 -18.2144 20.9579 -17.0912 28.8036 22.645 18.7134 26.4932 -5.0856 TIMING: 1782200 CPU: 5618.96, 0.00317646/step Wall: 5618.96, 0.00317646/step, 2.83922 hours remaining, 239.382812 MB of memory in use. ENERGY: 1782200 3929.1483 20435.9991 14464.2977 238.0884 -203207.7432 2786.5208 0.0000 0.0000 52066.9960 -109286.6929 299.2297 -161353.6889 -108922.0743 299.2439 162.2179 192.2617 763020.5921 -4.6776 -4.6435 PRESSURE: 1782400 -195.382 -243.912 56.7335 -243.912 -196.486 -158.227 56.7338 -158.227 -168.847 GPRESSURE: 1782400 -143.234 -144.73 0.466011 -188.413 -167.786 -110.614 -16.1598 -131.872 -171.341 PRESSAVG: 1782400 33.5933 -26.5208 25.4643 -26.5208 -1.50899 53.9383 25.4643 53.9383 -3.03039 GPRESSAVG: 1782400 33.6516 -26.0985 25.3679 -26.6648 -3.65076 56.6515 26.7695 52.9781 -0.643763 TIMING: 1782400 CPU: 5619.61, 0.00323594/step Wall: 5619.61, 0.00323594/step, 2.89221 hours remaining, 239.382812 MB of memory in use. ENERGY: 1782400 3995.8241 20505.6309 14500.8891 216.8591 -202334.7439 1994.0861 0.0000 0.0000 51996.4989 -109124.9558 298.8246 -161121.4547 -108760.7355 299.1653 -186.9049 -160.7870 763311.3193 9.6847 9.7857 PRESSURE: 1782600 2.51613 148.752 91.6676 148.751 -317.743 15.5885 91.6678 15.5876 -401.591 GPRESSURE: 1782600 23.2333 113.643 140.595 108.418 -285.521 89.9582 12.4193 -67.0529 -374.996 PRESSAVG: 1782600 -43.4545 47.7622 40.4005 47.7622 -5.1498 29.9511 40.4005 29.951 -13.4452 GPRESSAVG: 1782600 -43.2637 49.6336 40.5171 46.4219 -4.31812 29.626 40.7012 31.2522 -14.7872 TIMING: 1782600 CPU: 5620.25, 0.00320869/step Wall: 5620.25, 0.00320869/step, 2.86768 hours remaining, 239.382812 MB of memory in use. ENERGY: 1782600 4018.6745 20719.9860 14454.1058 234.4733 -202900.0846 2156.7929 0.0000 0.0000 52231.3610 -109084.6910 300.1743 -161316.0520 -108734.6919 299.7966 -238.9396 -212.4281 761633.9717 -20.6832 -20.7897 PRESSURE: 1782800 147.365 -11.6326 -159.474 -11.633 -67.7686 62.7603 -159.474 62.7607 -390.975 GPRESSURE: 1782800 104.47 10.6445 -54.2562 -33.7106 31.7855 16.5368 -209.98 121.945 -355.531 PRESSAVG: 1782800 -20.5736 -2.49069 -1.27081 -2.49065 1.76293 0.750015 -1.2708 0.749885 31.4933 GPRESSAVG: 1782800 -20.6148 -5.05213 -0.341502 -0.121795 2.33693 -0.4828 -3.60815 0.189967 31.6583 TIMING: 1782800 CPU: 5620.89, 0.00320226/step Wall: 5620.89, 0.00320226/step, 2.86175 hours remaining, 239.382812 MB of memory in use. ENERGY: 1782800 4041.8594 20561.5871 14455.0203 257.4241 -203160.9835 2364.2194 0.0000 0.0000 52368.7855 -109112.0878 300.9641 -161480.8732 -108747.6150 300.5959 -103.7928 -73.0918 760993.7737 4.2275 4.4601 PRESSURE: 1783000 131.802 93.7266 -91.1239 93.7266 -22.2833 37.59 -91.1231 37.5903 -208.036 GPRESSURE: 1783000 110.029 104.565 -73.0414 121.362 49.3841 -37.3787 -72.7214 21.8154 -153.315 PRESSAVG: 1783000 18.741 -6.41758 -42.2257 -6.41761 -0.277828 -22.6139 -42.2257 -22.6139 24.5393 GPRESSAVG: 1783000 17.5654 -6.01363 -43.25 -7.68951 0.132421 -21.7474 -39.5549 -22.4624 24.8541 TIMING: 1783000 CPU: 5621.53, 0.00318553/step Wall: 5621.53, 0.00318553/step, 2.84663 hours remaining, 239.382812 MB of memory in use. ENERGY: 1783000 3973.9129 20629.0099 14373.2290 241.9956 -203138.7267 2410.2664 0.0000 0.0000 52216.9665 -109293.3464 300.0916 -161510.3129 -108930.8314 300.2783 -32.8391 2.0325 761903.8258 14.3342 14.1840 PRESSURE: 1783200 42.1728 -124.79 118.54 -124.79 -203.444 58.8012 118.539 58.801 -125.296 GPRESSURE: 1783200 54.5152 12.2988 73.4259 -99.9056 -166.666 -9.76684 129.614 145.739 -101.949 PRESSAVG: 1783200 -26.2516 -2.1441 35.2895 -2.14412 39.3308 22.2673 35.2894 22.2673 -30.9622 GPRESSAVG: 1783200 -25.4047 -3.79312 35.1896 -2.45086 38.322 23.0847 34.1696 21.1067 -30.7444 TIMING: 1783200 CPU: 5622.16, 0.003176/step Wall: 5622.16, 0.003176/step, 2.83793 hours remaining, 239.382812 MB of memory in use. ENERGY: 1783200 4079.4623 20507.5309 14462.5343 228.3444 -202912.2485 2136.8237 0.0000 0.0000 52093.5495 -109404.0034 299.3823 -161497.5529 -109048.6915 299.9180 -95.5225 -71.3665 761346.7454 -5.9610 -5.9423 PRESSURE: 1783400 -140.077 127.905 -106.955 127.904 -52.3897 -216.675 -106.955 -216.676 319.575 GPRESSURE: 1783400 -88.0621 98.455 -47.9251 172.089 0.860407 -268.728 -42.1534 -146.89 299.55 PRESSAVG: 1783400 16.6933 22.3521 -18.7759 22.3522 -7.39901 -15.2925 -18.776 -15.2924 -15.0093 GPRESSAVG: 1783400 17.4373 24.5915 -18.2696 22.8535 -7.69969 -15.8477 -18.6725 -15.6203 -15.2839 TIMING: 1783400 CPU: 5622.8, 0.00319114/step Wall: 5622.8, 0.00319114/step, 2.85128 hours remaining, 239.382812 MB of memory in use. ENERGY: 1783400 3946.9134 20502.8808 14434.8945 251.7734 -202921.7631 2271.5517 0.0000 0.0000 51931.0120 -109582.7373 298.4482 -161513.7493 -109223.1973 298.8856 42.3696 70.7826 760793.3675 -1.9050 -1.8488 PRESSURE: 1783600 -205.017 41.769 -82.0702 41.7692 -268.664 225.558 -82.0703 225.557 -390.454 GPRESSURE: 1783600 -164.116 32.0374 -76.5739 -39.1301 -289.061 130.642 -54.7253 91.4492 -336.966 PRESSAVG: 1783600 -29.0233 -39.1835 -27.9462 -39.1835 28.0932 25.674 -27.9462 25.6741 20.9748 GPRESSAVG: 1783600 -29.3217 -38.7594 -29.1035 -41.685 28.233 25.2239 -27.5844 27.6086 20.6018 TIMING: 1783600 CPU: 5623.44, 0.00317974/step Wall: 5623.44, 0.00317974/step, 2.84092 hours remaining, 239.382812 MB of memory in use. ENERGY: 1783600 3938.0398 20406.9090 14494.5548 253.6285 -203167.4993 2211.5635 0.0000 0.0000 52311.5971 -109551.2066 300.6355 -161862.8036 -109178.9742 298.9960 -288.0450 -263.3809 762595.8821 6.6816 6.5044 PRESSURE: 1783800 169.031 39.0073 83.3373 39.0089 59.782 130.42 83.3371 130.42 567.592 GPRESSURE: 1783800 183.58 -12.2751 129.695 211.163 184.081 190.287 188.774 32.3804 502.759 PRESSAVG: 1783800 6.39246 15.4316 40.9976 15.4316 11.7072 19.9476 40.9975 19.9476 -1.14153 GPRESSAVG: 1783800 6.52787 14.7156 41.3701 17.5847 12.1194 19.1387 40.4751 17.3376 -1.63864 TIMING: 1783800 CPU: 5624.07, 0.00316972/step Wall: 5624.07, 0.00316972/step, 2.83179 hours remaining, 239.382812 MB of memory in use. ENERGY: 1783800 3929.4873 20534.9359 14456.1500 244.1889 -203774.9800 3061.1587 0.0000 0.0000 51882.6021 -109666.4572 298.1700 -161549.0593 -109297.4748 299.2833 265.4684 290.1400 759964.4249 5.6527 5.6695 PRESSURE: 1784000 -13.6157 21.8761 -146.013 21.8762 34.7877 -176.241 -146.012 -176.241 -396.05 GPRESSURE: 1784000 74.6404 -50.3908 -183.518 -16.196 -5.27553 -224.068 -166.23 -180.24 -347.89 PRESSAVG: 1784000 -8.50873 3.30556 60.1364 3.30557 -13.2579 30.5891 60.1364 30.5892 -4.95301 GPRESSAVG: 1784000 -9.16827 4.05795 59.4054 3.62864 -13.0548 29.2943 59.7141 34.0829 -4.98583 TIMING: 1784000 CPU: 5624.71, 0.00316843/step Wall: 5624.71, 0.00316843/step, 2.83047 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1784000 3942.8966 20620.7988 14386.0373 229.8543 -203305.5228 2448.6054 0.0000 0.0000 51767.0209 -109910.3095 297.5058 -161677.3304 -109556.3985 298.7707 -124.9594 -92.8418 761149.2367 -8.9066 -9.0696 PRESSURE: 1784200 -193.662 -126.222 -91.3612 -126.223 62.1074 -167.497 -91.3613 -167.496 -109.502 GPRESSURE: 1784200 -97.1553 -144.183 -121.763 72.9464 95.6285 -130.994 11.6859 -159.295 -132.546 PRESSAVG: 1784200 -30.9027 -3.68197 2.55849 -3.68195 12.7304 -25.0573 2.55853 -25.0573 14.4658 GPRESSAVG: 1784200 -31.4533 -4.15117 3.65924 -2.64414 12.7132 -22.5343 2.90261 -25.2255 14.965 TIMING: 1784200 CPU: 5625.34, 0.00318477/step Wall: 5625.34, 0.00318477/step, 2.84489 hours remaining, 239.382812 MB of memory in use. ENERGY: 1784200 3956.4035 20550.8744 14377.9813 248.2598 -203828.0620 2786.3846 0.0000 0.0000 51966.2987 -109941.8596 298.6510 -161908.1583 -109580.9236 298.4938 -80.3522 -44.6911 761589.6825 -1.2355 -1.2584 LDB: ============= START OF LOAD BALANCING ============== 5637.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5637.75 LDB: =============== DONE WITH MIGRATION ================ 5637.75 LDB: ============= START OF LOAD BALANCING ============== 5638.07 LDB: Largest compute 7034 load 0.034464 is 17.6% of average load 0.195858 LDB: Average compute 0.004387 is 2.2% of average load 0.195858 LDB: TIME 5638.07 LOAD: AVG 0.195858 MAX 0.215664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.84 MB LDB: TIME 5638.07 LOAD: AVG 0.195858 MAX 0.215664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 5638.07 LOAD: AVG 0.195858 MAX 0.215664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 5638.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5638.08 PRESSURE: 1784400 116.542 124.426 -154.242 124.426 123.452 -218.756 -154.242 -218.757 -84.3783 GPRESSURE: 1784400 184.512 104.184 -124.118 123.351 137.553 -241.946 -142.427 -249.265 -73.4849 PRESSAVG: 1784400 45.8749 1.30375 22.5794 1.30376 -38.0631 -56.5401 22.5794 -56.5401 15.3096 GPRESSAVG: 1784400 46.6555 -0.0930305 23.0193 2.32211 -39.1281 -57.2456 22.8161 -57.7053 15.7176 TIMING: 1784400 CPU: 5625.99, 0.00325854/step Wall: 5625.99, 0.00325854/step, 2.9106 hours remaining, 237.964844 MB of memory in use. ENERGY: 1784400 3954.0479 20494.1588 14422.3573 222.9209 -203380.9064 2602.5070 0.0000 0.0000 51711.5332 -109973.3814 297.1869 -161684.9146 -109616.5211 298.3807 51.8720 82.8601 761444.9261 7.7071 7.7484 PRESSURE: 1784600 -102.412 97.0399 91.0376 97.0405 -75.1336 116.076 91.0374 116.076 67.1324 GPRESSURE: 1784600 -142.741 100.848 88.8817 116.06 -22.8052 83.9361 50.1991 213.575 160.586 PRESSAVG: 1784600 -9.04923 36.842 12.8552 36.842 32.0617 -61.9651 12.8552 -61.9652 9.04125 GPRESSAVG: 1784600 -9.82347 39.8254 10.52 34.6165 31.7864 -62.277 11.5822 -62.6475 9.7943 TIMING: 1784600 CPU: 5626.62, 0.00314552/step Wall: 5626.62, 0.00314552/step, 2.80948 hours remaining, 238.167969 MB of memory in use. ENERGY: 1784600 3988.8888 20550.6469 14384.0477 255.1873 -203451.4429 2456.3126 0.0000 0.0000 52072.5930 -109743.7666 299.2619 -161816.3596 -109374.4994 297.8860 -36.8044 -1.6532 761371.6190 10.6846 10.5857 PRESSURE: 1784800 209.461 -181.725 183.887 -181.726 -10.6716 -11.6745 183.887 -11.6734 190.151 GPRESSURE: 1784800 367.938 -299.923 191.168 -172.396 -109.742 37.0205 278.299 -4.7819 205.443 PRESSAVG: 1784800 27.492 -0.579896 21.8399 -0.579886 -44.8963 -33.6004 21.8399 -33.6004 -9.80802 GPRESSAVG: 1784800 27.7414 -2.76569 23.4459 0.42157 -44.3673 -31.8202 23.1481 -33.4324 -10.7464 TIMING: 1784800 CPU: 5627.26, 0.00318266/step Wall: 5627.26, 0.00318266/step, 2.84247 hours remaining, 238.167969 MB of memory in use. ENERGY: 1784800 4078.5517 20392.0046 14376.0081 248.9677 -203479.9706 2565.7558 0.0000 0.0000 52209.3297 -109609.3531 300.0477 -161818.6828 -109240.5792 298.7120 129.6469 154.5463 760778.9809 -9.0708 -9.1241 PRESSURE: 1785000 157.141 132.815 -118.592 132.814 -36.9094 106.888 -118.592 106.888 275.329 GPRESSURE: 1785000 171.816 194.158 -157.088 164.615 5.50408 82.7689 -90.5371 120.097 291.368 PRESSAVG: 1785000 17.5803 -7.1128 15.3987 -7.11278 -30.1085 20.0328 15.3987 20.0328 5.21814 GPRESSAVG: 1785000 17.3084 -7.01606 15.0287 -7.2302 -30.1806 18.0813 16.0424 19.6277 5.76367 TIMING: 1785000 CPU: 5627.9, 0.00319379/step Wall: 5627.9, 0.0031938/step, 2.85224 hours remaining, 238.167969 MB of memory in use. ENERGY: 1785000 4014.3436 20614.5057 14403.7950 249.2972 -203868.7974 2842.2771 0.0000 0.0000 52092.4857 -109652.0931 299.3762 -161744.5788 -109288.7517 298.8355 131.8535 156.2292 759836.5826 -2.4367 -2.3695 PRESSURE: 1785200 -62.6317 -7.63901 133.313 -7.6393 -534.433 -5.21602 133.312 -5.21606 -413.48 GPRESSURE: 1785200 -45.9867 -9.53671 81.4692 -82.3201 -487.567 -7.52645 -23.7899 -49.7257 -388.192 PRESSAVG: 1785200 26.3888 28.2907 -35.3804 28.2907 -44.8047 49.6779 -35.3804 49.6779 13.3069 GPRESSAVG: 1785200 26.8916 26.828 -34.9522 27.7549 -43.9554 50.4664 -36.6219 51.8871 12.58 TIMING: 1785200 CPU: 5628.54, 0.00319343/step Wall: 5628.54, 0.00319343/step, 2.85174 hours remaining, 238.167969 MB of memory in use. ENERGY: 1785200 4026.5286 20517.1163 14475.6365 254.8873 -203354.2869 2480.7500 0.0000 0.0000 52151.6585 -109447.7096 299.7163 -161599.3681 -109090.4010 298.7723 -336.8483 -307.2484 762885.1678 -1.7030 -1.4946 PRESSURE: 1785400 -234.531 -74.1222 -84.9984 -74.1219 275.649 -55.3542 -84.9983 -55.3529 -256.915 GPRESSURE: 1785400 -100.216 -44.0235 -114.595 11.3566 146.49 74.2608 63.5785 -25.4883 -193.016 PRESSAVG: 1785400 23.8281 -31.7879 1.14532 -31.7878 -25.0579 23.5533 1.14539 23.5533 6.13019 GPRESSAVG: 1785400 24.7684 -31.7397 0.177545 -31.7481 -25.84 24.7003 3.48068 21.5401 6.65215 TIMING: 1785400 CPU: 5629.17, 0.00318542/step Wall: 5629.17, 0.00318542/step, 2.8444 hours remaining, 238.167969 MB of memory in use. ENERGY: 1785400 4051.3662 20378.1067 14477.7209 228.0697 -203352.6097 2629.1881 0.0000 0.0000 51957.0017 -109631.1564 298.5976 -161588.1581 -109268.8712 299.1847 -71.9322 -48.9138 761649.6825 1.6335 1.8602 PRESSURE: 1785600 -68.5725 -6.22205 2.08936 -6.22189 241.282 45.3835 2.08947 45.383 -181.806 GPRESSURE: 1785600 -69.8839 -36.3474 31.1922 32.6845 249.022 -11.8151 94.1574 82.0365 -104.183 PRESSAVG: 1785600 35.6057 11.2711 -2.23242 11.2711 -6.10838 -11.6863 -2.23241 -11.6863 16.8884 GPRESSAVG: 1785600 33.7926 12.9259 -1.25937 10.0743 -4.4037 -11.6603 -3.71361 -10.7013 17.0142 TIMING: 1785600 CPU: 5629.81, 0.00315415/step Wall: 5629.81, 0.00315415/step, 2.8163 hours remaining, 238.167969 MB of memory in use. ENERGY: 1785600 4035.9334 20414.5317 14391.0406 242.7506 -203266.1027 2390.6490 0.0000 0.0000 52027.6751 -109763.5224 299.0038 -161791.1974 -109404.8012 298.7022 -3.0320 24.9851 762229.6082 15.4619 15.4677 PRESSURE: 1785800 -559.894 -118.067 -109.2 -118.066 -250.151 98.8065 -109.2 98.8067 -455.752 GPRESSURE: 1785800 -592.037 -112.186 42.2493 -94.8704 -108.565 49.1457 -171.564 90.856 -485.35 PRESSAVG: 1785800 1.35144 -54.4909 -26.2078 -54.4909 -25.6483 -23.8944 -26.2078 -23.8945 -20.219 GPRESSAVG: 1785800 2.45939 -53.1256 -25.8184 -51.7159 -26.4976 -24.2657 -28.0017 -24.1784 -21.0471 TIMING: 1785800 CPU: 5630.44, 0.00317602/step Wall: 5630.44, 0.00317602/step, 2.83566 hours remaining, 238.167969 MB of memory in use. ENERGY: 1785800 3982.4071 20323.2039 14408.7393 251.7235 -203554.5954 2597.1980 0.0000 0.0000 52188.7037 -109802.6200 299.9292 -161991.3237 -109438.4919 298.5617 -421.9324 -395.3173 762219.5588 -14.8386 -15.0284 PRESSURE: 1786000 -19.9568 87.6268 -14.2427 87.6274 198.029 -111.915 -14.2427 -111.914 17.3356 GPRESSURE: 1786000 -4.15554 165.193 18.9789 -20.851 277.964 -139.29 51.6175 -139.526 39.1579 PRESSAVG: 1786000 -13.9567 -15.2164 -7.60882 -15.2164 19.9166 -14.8583 -7.60882 -14.8583 15.6316 GPRESSAVG: 1786000 -14.7769 -17.506 -7.2904 -17.1867 21.1414 -15.1207 -6.37136 -15.3762 15.8732 TIMING: 1786000 CPU: 5631.07, 0.00316304/step Wall: 5631.07, 0.00316304/step, 2.82389 hours remaining, 238.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1786000 3942.9378 20400.2214 14436.1839 258.4741 -203288.4731 2709.6116 0.0000 0.0000 51770.6900 -109770.3544 297.5269 -161541.0444 -109423.6183 298.3932 65.1358 104.3222 760270.6303 7.1971 7.4125 PRESSURE: 1786200 -191.649 -104.922 -2.99065 -104.923 20.6612 149.252 -2.99204 149.251 -222.183 GPRESSURE: 1786200 -146.048 -163.862 -67.9247 -87.8465 70.4609 126.461 -39.1141 113.426 -229.03 PRESSAVG: 1786200 28.129 -56.7628 17.259 -56.7628 -10.4789 26.9415 17.2591 26.9415 35.6572 GPRESSAVG: 1786200 29.4717 -56.3343 17.5125 -56.0038 -12.5581 28.0508 18.8698 26.7375 36.2186 TIMING: 1786200 CPU: 5631.71, 0.00316814/step Wall: 5631.71, 0.00316814/step, 2.82827 hours remaining, 238.167969 MB of memory in use. ENERGY: 1786200 4022.7424 20612.8294 14385.5394 243.0577 -203179.1375 2293.0576 0.0000 0.0000 51751.5011 -109870.4097 297.4166 -161621.9108 -109512.9606 298.3599 -131.0569 -101.5390 761221.1715 17.7691 17.7108 PRESSURE: 1786400 -350.734 -74.5988 140.978 -74.5984 -151.191 192.574 140.978 192.573 -113.334 GPRESSURE: 1786400 -300.334 -89.0532 146.192 -115.86 -165.205 142.977 41.455 302.649 -80.6006 PRESSAVG: 1786400 -7.04968 -26.1792 16.1232 -26.1792 28.8362 9.52329 16.1232 9.52322 0.922201 GPRESSAVG: 1786400 -8.36282 -28.6162 15.7029 -25.4387 30.0807 8.67506 13.9221 10.7361 0.85643 TIMING: 1786400 CPU: 5632.34, 0.00316916/step Wall: 5632.34, 0.00316916/step, 2.829 hours remaining, 238.167969 MB of memory in use. ENERGY: 1786400 3998.8950 20407.2893 14464.7257 257.5476 -203506.7730 2536.6842 0.0000 0.0000 51870.8576 -109970.7735 298.1025 -161841.6311 -109615.3203 298.2125 -205.0863 -182.0467 762365.3036 7.5696 7.5248 PRESSURE: 1786600 122.256 31.7957 -33.0175 31.7952 -350.387 125.365 -33.0175 125.366 -431.389 GPRESSURE: 1786600 147.766 30.6018 -0.88107 52.8824 -298.86 142.401 -118.397 39.0403 -406.983 PRESSAVG: 1786600 43.6648 -10.888 -9.3579 -10.888 -53.1781 42.6738 -9.3579 42.6738 -6.16575 GPRESSAVG: 1786600 43.4799 -8.47979 -9.31716 -12.1307 -53.3976 41.7807 -10.4018 43.0994 -5.70102 TIMING: 1786600 CPU: 5632.98, 0.00317581/step Wall: 5632.98, 0.00317581/step, 2.83477 hours remaining, 238.167969 MB of memory in use. ENERGY: 1786600 4045.2957 20281.3583 14465.5823 240.3653 -203476.3403 2447.2375 0.0000 0.0000 52026.3558 -109970.1454 298.9962 -161996.5011 -109610.5221 298.3890 -219.8401 -186.0258 759862.0750 -5.2264 -5.2062 PRESSURE: 1786800 -67.6974 73.6635 -25.7012 73.6636 -106.132 -195.686 -25.7012 -195.687 -234.155 GPRESSURE: 1786800 -116.414 166.611 -18.2478 75.2954 11.1719 -135.129 -94.3818 -82.7353 -215.565 PRESSAVG: 1786800 38.1251 -42.6949 -25.7292 -42.6949 -39.9079 -8.27343 -25.7292 -8.27343 29.7656 GPRESSAVG: 1786800 39.5083 -44.2037 -24.7584 -41.0005 -40.1684 -5.56865 -26.2083 -8.86874 28.1386 TIMING: 1786800 CPU: 5633.61, 0.00316676/step Wall: 5633.61, 0.00316676/step, 2.82651 hours remaining, 238.167969 MB of memory in use. ENERGY: 1786800 4035.5578 20509.2246 14477.0453 251.3895 -203212.7859 2299.0333 0.0000 0.0000 51871.9736 -109768.5618 298.1089 -161640.5354 -109406.7421 299.3982 -135.9951 -106.9359 759910.9207 9.3276 9.1595 PRESSURE: 1787000 -458.807 -82.709 2.61083 -82.7093 61.4439 -24.3792 2.61171 -24.3805 -364.406 GPRESSURE: 1787000 -433.358 -65.1431 40.5591 -61.8581 -18.0368 66.5002 -49.1816 -97.3961 -221.877 PRESSAVG: 1787000 -27.8138 -20.2114 -16.0172 -20.2115 -3.48933 -37.7492 -16.0172 -37.7491 5.60111 GPRESSAVG: 1787000 -28.0568 -18.9778 -17.146 -21.1742 -4.02035 -39.369 -14.9949 -37.4512 6.34797 TIMING: 1787000 CPU: 5634.24, 0.00316922/step Wall: 5634.24, 0.00316922/step, 2.82853 hours remaining, 238.167969 MB of memory in use. ENERGY: 1787000 4012.9853 20683.9239 14435.6750 250.9997 -203352.8282 2487.5276 0.0000 0.0000 51552.9946 -109928.7220 296.2758 -161481.7167 -109569.7750 299.1430 -253.9229 -224.4240 761466.8455 -8.5673 -8.5764 PRESSURE: 1787200 -157.977 -247.933 -271.514 -247.933 -190.345 -70.9227 -271.514 -70.9233 -11.3113 GPRESSURE: 1787200 -86.5096 -154.516 -211.318 -301.909 -240.085 -54.5005 -289.337 -71.589 39.4432 PRESSAVG: 1787200 34.9075 5.99844 -15.9929 5.99845 1.80537 14.563 -15.993 14.5631 16.9262 GPRESSAVG: 1787200 33.361 6.14205 -17.2472 4.68403 2.44036 16.0886 -15.1404 14.7538 17.3767 TIMING: 1787200 CPU: 5634.88, 0.00317065/step Wall: 5634.88, 0.00317065/step, 2.82963 hours remaining, 238.167969 MB of memory in use. ENERGY: 1787200 3941.2265 20413.0700 14404.1316 233.4999 -203712.6391 2517.1224 0.0000 0.0000 52155.4070 -110048.1816 299.7378 -162203.5886 -109677.5518 298.2944 -119.8780 -95.7170 760229.1938 17.8797 17.7260 PRESSURE: 1787400 103.805 -38.4434 -35.426 -38.4428 38.9807 285.486 -35.426 285.486 161.934 GPRESSURE: 1787400 188.247 -65.0311 -59.3343 -0.204627 61.846 312.492 -80.7381 202.476 146.711 PRESSAVG: 1787400 -3.3817 -40.3493 2.8916 -40.3494 11.8711 24.9008 2.89163 24.9008 27.9385 GPRESSAVG: 1787400 -1.66861 -38.7789 4.71081 -38.9682 11.2687 22.3515 1.58127 24.0273 26.7019 TIMING: 1787400 CPU: 5635.52, 0.00319831/step Wall: 5635.52, 0.00319831/step, 2.85413 hours remaining, 238.167969 MB of memory in use. ENERGY: 1787400 3945.2247 20387.3204 14352.6098 253.6526 -203761.9492 2882.2903 0.0000 0.0000 52034.2478 -109906.6036 299.0415 -161940.8514 -109544.0023 298.2914 101.5731 132.2679 760689.4306 12.1426 12.1007 PRESSURE: 1787600 -109.396 106.544 292.25 106.544 80.3044 170.737 292.25 170.736 -266.697 GPRESSURE: 1787600 -56.352 -25.3596 222.329 44.2421 68.3223 134.308 399.901 171.236 -213.567 PRESSAVG: 1787600 -5.62643 24.6795 -15.5142 24.6796 37.9421 -15.5264 -15.5142 -15.5263 -9.43258 GPRESSAVG: 1787600 -6.49049 20.9248 -15.3141 25.3873 37.3614 -14.0748 -15.0331 -13.1508 -7.34805 TIMING: 1787600 CPU: 5636.16, 0.00319754/step Wall: 5636.16, 0.00319754/step, 2.85327 hours remaining, 238.167969 MB of memory in use. ENERGY: 1787600 4001.7490 20404.7566 14337.5097 224.0892 -203301.7857 2327.1548 0.0000 0.0000 51961.2303 -110045.2962 298.6219 -162006.5265 -109683.2831 298.4194 -98.5964 -67.1989 761730.9454 7.6277 7.8410 PRESSURE: 1787800 184.026 25.8665 -122.475 25.8667 -168.296 64.6119 -122.476 64.6117 -373.149 GPRESSURE: 1787800 170.201 109.729 -163.804 -62.999 -132.313 30.9077 -110.446 48.0339 -286.217 PRESSAVG: 1787800 -35.3959 -30.9709 31.3779 -30.9709 11.8308 42.1526 31.378 42.1526 15.2984 GPRESSAVG: 1787800 -35.5819 -31.3531 30.1706 -31.3251 12.8811 41.3535 31.5697 39.9173 14.361 TIMING: 1787800 CPU: 5636.8, 0.0031973/step Wall: 5636.8, 0.0031973/step, 2.85288 hours remaining, 238.167969 MB of memory in use. ENERGY: 1787800 4058.3535 20345.5895 14417.5762 242.0705 -203486.4761 2474.1673 0.0000 0.0000 51936.7460 -110011.9732 298.4812 -161948.7192 -109660.1546 298.3294 -119.1396 -82.7764 759568.5739 -2.7556 -2.7799 PRESSURE: 1788000 160.077 -41.4027 -6.02425 -41.4027 -116.635 -125.135 -6.02407 -125.136 -94.8324 GPRESSURE: 1788000 112.035 -66.8365 -88.5837 94.9185 11.1753 -170.014 -3.69864 -50.8172 -60.6794 PRESSAVG: 1788000 0.217471 -17.8057 52.0896 -17.8057 31.3246 35.7449 52.0896 35.7449 -1.65027 GPRESSAVG: 1788000 0.0152645 -15.6514 53.5081 -16.4373 31.3156 36.2316 52.0208 36.8646 -1.34261 TIMING: 1788000 CPU: 5637.44, 0.0031978/step Wall: 5637.44, 0.0031978/step, 2.85315 hours remaining, 238.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1788000 3946.6765 20454.6468 14362.1054 258.6591 -203542.4528 2530.3068 0.0000 0.0000 52030.7175 -109959.3408 299.0212 -161990.0583 -109596.0496 298.3429 -17.1304 20.8436 757813.6155 9.9639 9.9961 PRESSURE: 1788200 -106.243 -80.0511 35.6472 -80.0512 -293.012 -15.6657 35.6461 -15.6666 92.2522 GPRESSURE: 1788200 -84.8675 -5.99617 -45.7216 -205.729 -234.181 77.7847 96.8568 76.5436 90.4514 PRESSAVG: 1788200 17.252 -33.99 36.7199 -33.99 -14.2364 24.9124 36.7198 24.9123 0.96047 GPRESSAVG: 1788200 16.4716 -35.0128 35.3474 -36.6361 -14.1482 26.4075 37.8677 24.2173 1.42894 TIMING: 1788200 CPU: 5638.07, 0.00315995/step Wall: 5638.07, 0.00315995/step, 2.8192 hours remaining, 238.167969 MB of memory in use. ENERGY: 1788200 3820.2505 20413.3274 14474.8545 224.3538 -203847.8916 2634.6608 0.0000 0.0000 52085.7216 -110194.7230 299.3374 -162280.4446 -109822.2433 297.5078 -102.3342 -76.1990 760024.7938 1.3254 1.2508 LDB: ============= START OF LOAD BALANCING ============== 5650.47 LDB: ============== END OF LOAD BALANCING =============== 5650.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5650.47 LDB: ============= START OF LOAD BALANCING ============== 5650.79 LDB: Largest compute 7025 load 0.035356 is 18.1% of average load 0.195848 LDB: Average compute 0.004402 is 2.2% of average load 0.195848 LDB: TIME 5650.8 LOAD: AVG 0.195848 MAX 0.219152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 5650.8 LOAD: AVG 0.195848 MAX 0.219152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.555 MB LDB: TIME 5650.8 LOAD: AVG 0.195848 MAX 0.215206 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.555 MB LDB: ============== END OF LOAD BALANCING =============== 5650.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5650.81 PRESSURE: 1788400 79.1783 3.83024 28.4656 3.83083 306.664 -124.089 28.4649 -124.089 170.555 GPRESSURE: 1788400 112.231 -54.1146 -26.9677 68.0031 290.073 -104.095 129.402 -89.9622 225.686 PRESSAVG: 1788400 -35.1899 15.9176 -3.10802 15.9176 81.3579 1.08633 -3.10813 1.08635 20.7853 GPRESSAVG: 1788400 -34.6983 15.1161 -3.10557 17.1203 80.5553 -0.147508 -4.54559 1.17819 21.0245 TIMING: 1788400 CPU: 5638.72, 0.00327785/step Wall: 5638.72, 0.00327785/step, 2.9242 hours remaining, 239.121094 MB of memory in use. ENERGY: 1788400 3895.7567 20446.8475 14450.3042 260.6445 -203698.0931 2808.4291 0.0000 0.0000 51792.4222 -110043.6889 297.6518 -161836.1111 -109687.0396 297.7228 185.4657 209.3300 761805.8987 22.3178 22.2939 PRESSURE: 1788600 167.492 -159.656 -26.3943 -159.656 -31.0429 115.717 -26.394 115.717 -198.48 GPRESSURE: 1788600 75.4573 -130.812 -68.4345 -245.204 112.152 128.733 -79.5107 48.227 -157.537 PRESSAVG: 1788600 21.7972 -47.7069 -5.0055 -47.707 41.8741 -22.0476 -5.00548 -22.0477 -11.4062 GPRESSAVG: 1788600 21.9486 -46.1259 -4.20399 -47.2589 42.119 -22.3994 -3.17258 -21.1537 -12.3642 TIMING: 1788600 CPU: 5639.36, 0.00320611/step Wall: 5639.36, 0.00320611/step, 2.86003 hours remaining, 239.121094 MB of memory in use. ENERGY: 1788600 3983.4940 20466.5521 14402.9412 219.6056 -203866.7881 2601.1855 0.0000 0.0000 52054.2082 -110138.8015 299.1563 -162193.0097 -109773.1510 297.9152 -20.6770 10.0244 759304.6974 17.4217 17.2345 PRESSURE: 1788800 -430.174 42.4394 44.2242 42.4395 187.169 45.1954 44.224 45.1955 250.769 GPRESSURE: 1788800 -318.026 87.0534 44.7188 119.2 209.905 54.611 -22.3698 54.8313 212.819 PRESSAVG: 1788800 -27.1396 -29.844 -25.7362 -29.844 43.4148 -7.90411 -25.7363 -7.90409 -4.79386 GPRESSAVG: 1788800 -26.5042 -27.634 -28.2983 -33.0888 43.8516 -7.9604 -24.9807 -9.37763 -5.71008 TIMING: 1788800 CPU: 5640, 0.00319712/step Wall: 5640, 0.00319712/step, 2.85183 hours remaining, 239.121094 MB of memory in use. ENERGY: 1788800 3998.7218 20386.4694 14496.6912 241.0695 -203464.4809 2471.0202 0.0000 0.0000 51764.0070 -110106.5019 297.4885 -161870.5089 -109740.0277 297.4998 2.5878 34.8993 760795.2677 3.8271 3.8791 PRESSURE: 1789000 -194.628 42.1914 170.85 42.1914 342.556 -67.8535 170.85 -67.8536 -16.7634 GPRESSURE: 1789000 -80.3652 73.506 137.332 87.0531 354.208 -154.539 95.6242 -123.366 -43.9705 PRESSAVG: 1789000 -36.7449 -28.0375 -12.5966 -28.0375 47.5328 -5.41369 -12.5966 -5.41369 -6.98476 GPRESSAVG: 1789000 -38.6934 -29.0319 -10.6046 -26.4319 47.7985 -6.03499 -14.8541 -3.20034 -5.36709 TIMING: 1789000 CPU: 5640.65, 0.00321396/step Wall: 5640.65, 0.00321396/step, 2.86667 hours remaining, 239.121094 MB of memory in use. ENERGY: 1789000 3937.8408 20388.6824 14455.6237 247.5499 -203634.4752 2619.2943 0.0000 0.0000 51679.2611 -110306.2230 297.0014 -161985.4841 -109956.0272 297.0040 43.7215 76.6242 761233.8120 1.2677 1.2460 PRESSURE: 1789200 314.31 -71.4237 -70.7797 -71.4241 -25.0538 -93.8208 -70.7795 -93.8209 386.991 GPRESSURE: 1789200 403.873 -191.897 -115.031 -46.1972 -30.0967 -171.326 -62.5329 39.3037 373.734 PRESSAVG: 1789200 -0.476789 -18.2083 -14.0725 -18.2083 30.3246 -6.99452 -14.0724 -6.9946 -11.4444 GPRESSAVG: 1789200 0.933452 -20.385 -15.9751 -17.149 29.8094 -5.94392 -13.3442 -8.72146 -12.911 TIMING: 1789200 CPU: 5641.29, 0.00321157/step Wall: 5641.29, 0.00321157/step, 2.86436 hours remaining, 239.121094 MB of memory in use. ENERGY: 1789200 3981.9427 20506.7752 14507.3323 262.3001 -203937.1625 2832.6039 0.0000 0.0000 51764.2572 -110081.9510 297.4899 -161846.2083 -109731.4165 297.3445 225.4158 249.1701 759042.2388 6.1345 5.9440 PRESSURE: 1789400 -257.981 -57.2423 21.4982 -57.2416 -216.72 197.458 21.4983 197.458 -134.012 GPRESSURE: 1789400 -240.354 22.2697 22.7023 -16.1429 -170.179 149.932 25.4446 74.9942 -125.106 PRESSAVG: 1789400 -27.051 1.89482 18.6491 1.89482 31.0684 -14.8728 18.6491 -14.8728 -4.28632 GPRESSAVG: 1789400 -27.9506 2.07791 19.305 1.80101 30.9362 -15.1968 18.7465 -12.8345 -2.89971 TIMING: 1789400 CPU: 5641.93, 0.00321926/step Wall: 5641.93, 0.00321926/step, 2.87104 hours remaining, 239.121094 MB of memory in use. ENERGY: 1789400 3927.9692 20605.0206 14491.3438 236.4718 -203183.7645 2155.8486 0.0000 0.0000 51709.6819 -110057.4286 297.1763 -161767.1105 -109698.4628 297.5211 -202.9044 -178.5466 761358.5310 -0.0897 0.0286 PRESSURE: 1789600 -90.5428 -276.292 -114.404 -276.291 -12.9185 201.496 -114.405 201.496 -124.572 GPRESSURE: 1789600 -166.32 -287.274 -86.326 -111.819 168.129 117.121 -85.7508 229.834 -139.126 PRESSAVG: 1789600 -4.65382 20.0461 -31.3606 20.0461 17.4452 -14.6236 -31.3605 -14.6235 -12.4352 GPRESSAVG: 1789600 -4.28288 23.8838 -31.567 19.381 17.5168 -14.9861 -29.6133 -15.792 -12.8122 TIMING: 1789600 CPU: 5642.58, 0.00321817/step Wall: 5642.58, 0.00321817/step, 2.86989 hours remaining, 239.121094 MB of memory in use. ENERGY: 1789600 3942.8855 20516.7148 14497.7030 243.1302 -203688.5271 2428.1826 0.0000 0.0000 52041.6511 -110018.2599 299.0841 -162059.9110 -109663.3154 297.7602 -76.0111 -45.7723 761325.3909 0.1187 0.1406 PRESSURE: 1789800 -234.893 49.3508 -88.0885 49.3516 -18.6999 -45.4638 -88.0887 -45.4648 -75.6447 GPRESSURE: 1789800 -142.883 -11.1217 -40.9682 44.2204 -50.5391 -13.2893 -18.5793 -80.864 -47.7066 PRESSAVG: 1789800 -6.41277 -47.0413 8.63552 -47.0413 29.7891 17.1147 8.63562 17.1147 -11.9447 GPRESSAVG: 1789800 -6.64052 -49.5548 9.98632 -47.5767 29.0057 17.5197 9.44461 17.0002 -11.0953 TIMING: 1789800 CPU: 5643.22, 0.00320741/step Wall: 5643.22, 0.00320741/step, 2.86012 hours remaining, 239.121094 MB of memory in use. ENERGY: 1789800 3910.8924 20311.3114 14504.4227 262.3525 -203935.1540 2677.4430 0.0000 0.0000 52034.8483 -110233.8838 299.0450 -162268.7320 -109858.4069 297.9422 -109.7458 -80.3762 760736.4675 3.8106 3.7566 PRESSURE: 1790000 -95.1342 -119.306 58.3203 -119.306 268.852 -2.49403 58.3197 -2.49504 71.2493 GPRESSURE: 1790000 -15.1296 -31.2812 120.638 -25.4786 291.783 -65.04 47.5614 -24.7899 62.5467 PRESSAVG: 1790000 -8.91926 -7.62818 -30.0642 -7.62828 -31.5064 16.4559 -30.0641 16.456 2.79789 GPRESSAVG: 1790000 -7.45384 -7.9167 -31.3492 -7.64544 -31.6132 17.7774 -32.2091 15.8597 1.47208 TIMING: 1790000 CPU: 5643.86, 0.00320063/step Wall: 5643.86, 0.00320063/step, 2.85389 hours remaining, 239.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1790000 3958.8994 20488.3782 14424.6533 234.1797 -203466.4363 2352.8052 0.0000 0.0000 51920.2823 -110087.2381 298.3866 -162007.5203 -109727.3372 298.4956 81.6558 113.0668 759197.9117 -12.5426 -12.5317 PRESSURE: 1790200 125.719 83.5268 45.6657 83.5267 -139.611 -13.587 45.6654 -13.587 81.1234 GPRESSURE: 1790200 210.936 111.592 59.2092 84.3803 -127.301 7.36001 108.129 -96.3401 57.8399 PRESSAVG: 1790200 12.3379 -11.1138 -6.05497 -11.1138 -13.1851 40.1669 -6.05499 40.1669 23.343 GPRESSAVG: 1790200 11.0323 -10.4687 -5.74266 -11.0377 -12.6911 39.6869 -4.76097 40.6562 24.661 TIMING: 1790200 CPU: 5644.49, 0.00316974/step Wall: 5644.49, 0.00316974/step, 2.82618 hours remaining, 239.121094 MB of memory in use. ENERGY: 1790200 3915.2816 20586.4510 14393.8553 263.3893 -203676.0402 2375.1744 0.0000 0.0000 52059.2549 -110082.6335 299.1853 -162141.8885 -109719.6805 298.2807 22.4104 47.1584 759710.5130 7.4986 7.6674 PRESSURE: 1790400 -225.364 -23.3731 59.4584 -23.3731 184.818 183.408 59.4578 183.408 -183.582 GPRESSURE: 1790400 -178.476 72.6089 11.9046 -18.7203 233.793 131.126 -60.8342 147.945 -206.908 PRESSAVG: 1790400 58.6409 26.3808 -28.4455 26.3808 -28.4603 60.401 -28.4454 60.401 12.5273 GPRESSAVG: 1790400 59.0798 25.2073 -29.3784 25.9664 -28.6953 62.314 -29.3112 59.6164 11.6981 TIMING: 1790400 CPU: 5645.12, 0.00315041/step Wall: 5645.12, 0.00315041/step, 2.80876 hours remaining, 239.121094 MB of memory in use. ENERGY: 1790400 3965.0298 20523.8580 14499.0851 276.9808 -203752.8185 2588.7299 0.0000 0.0000 51986.1325 -109913.0024 298.7650 -161899.1349 -109544.6019 298.5943 -74.7095 -50.5304 760187.0895 14.2360 14.0275 PRESSURE: 1790600 -72.0955 177.419 -168.804 177.419 120.455 334.052 -168.802 334.051 203.921 GPRESSURE: 1790600 -16.0382 123.385 -114.075 65.1411 164.279 323.858 -86.3126 351.69 184.653 PRESSAVG: 1790600 -7.40608 2.30584 -27.6572 2.30579 0.0982699 56.6154 -27.6572 56.6155 17.9154 GPRESSAVG: 1790600 -8.47173 1.50836 -26.447 2.44987 0.328457 53.7549 -29.621 57.9019 18.4837 TIMING: 1790600 CPU: 5645.75, 0.00314589/step Wall: 5645.75, 0.00314589/step, 2.80456 hours remaining, 239.121094 MB of memory in use. ENERGY: 1790600 3902.1467 20560.3354 14433.4190 245.2813 -203441.9160 2547.8969 0.0000 0.0000 51962.4977 -109790.3390 298.6292 -161752.8367 -109419.9352 298.8662 84.0936 110.9648 760460.4776 3.5359 3.4468 PRESSURE: 1790800 -181.152 125.156 213.583 125.156 89.303 -152.99 213.583 -152.99 -92.2304 GPRESSURE: 1790800 -151.319 120.789 138.055 -8.98214 126.881 -223.09 175.891 -150.348 -60.756 PRESSAVG: 1790800 -16.0337 41.6875 -28.2856 41.6875 -20.026 4.6951 -28.2857 4.69509 14.1137 GPRESSAVG: 1790800 -14.6599 43.6182 -29.3842 41.7696 -20.4297 6.01461 -26.2786 3.95631 13.4344 TIMING: 1790800 CPU: 5646.38, 0.00315943/step Wall: 5646.38, 0.00315943/step, 2.81646 hours remaining, 239.121094 MB of memory in use. ENERGY: 1790800 4042.5810 20433.2167 14408.0399 244.7703 -203397.1047 2481.5279 0.0000 0.0000 51758.4339 -110028.5351 297.4564 -161786.9690 -109669.5019 298.7083 -61.3597 -28.3981 761769.6558 -7.3153 -7.2184 PRESSURE: 1791000 -108.598 -121.297 6.49573 -121.297 -177.707 -31.4863 6.49656 -31.487 312.386 GPRESSURE: 1791000 -98.5799 -111.988 61.5807 -152.742 -128.058 23.0883 -40.3214 69.3418 334.422 PRESSAVG: 1791000 -7.24046 -15.9332 -7.70209 -15.9332 20.3194 -12.4646 -7.70205 -12.4646 3.71788 GPRESSAVG: 1791000 -8.36624 -17.3202 -6.47099 -16.9368 21.2783 -12.9039 -7.80263 -13.1998 3.8533 TIMING: 1791000 CPU: 5647.02, 0.00317513/step Wall: 5647.02, 0.00317513/step, 2.83027 hours remaining, 239.121094 MB of memory in use. ENERGY: 1791000 4046.9365 20502.5355 14345.1100 243.7462 -203699.0559 2554.0763 0.0000 0.0000 52020.8508 -109985.8008 298.9645 -162006.6516 -109625.4616 298.2885 8.6937 35.9278 761747.2988 5.5990 5.5884 PRESSURE: 1791200 -49.306 107.441 2.77621 107.441 228.22 -245.502 2.77608 -245.501 56.8979 GPRESSURE: 1791200 66.4835 95.7033 33.5654 82.9048 210.108 -320.496 13.576 -166.502 47.2282 PRESSAVG: 1791200 -63.376 24.5682 -53.1055 24.5682 37.3122 24.4329 -53.1055 24.4329 6.03188 GPRESSAVG: 1791200 -63.4187 24.1164 -55.1049 25.5523 36.7171 23.8412 -54.3348 25.412 6.59613 TIMING: 1791200 CPU: 5647.65, 0.00316774/step Wall: 5647.65, 0.00316774/step, 2.82352 hours remaining, 239.121094 MB of memory in use. ENERGY: 1791200 3895.2337 20400.3813 14351.4855 255.6513 -203568.4528 2533.3337 0.0000 0.0000 52163.0282 -109969.3391 299.7816 -162132.3673 -109610.0481 298.5015 78.6041 107.9400 760195.0682 -6.6773 -6.7018 PRESSURE: 1791400 7.80259 -267.754 197.487 -267.755 -11.1087 199.581 197.488 199.581 -331.49 GPRESSURE: 1791400 39.4945 -259.103 227.972 -200.276 37.8525 123.661 36.2585 152.059 -321.461 PRESSAVG: 1791400 -8.42303 -37.535 -45.4096 -37.535 -32.6133 12.7097 -45.4095 12.7097 0.412586 GPRESSAVG: 1791400 -8.25489 -36.7207 -42.8867 -36.0333 -31.7918 13.8077 -45.7572 11.1755 -0.421738 TIMING: 1791400 CPU: 5648.29, 0.00317319/step Wall: 5648.29, 0.00317319/step, 2.8282 hours remaining, 239.121094 MB of memory in use. ENERGY: 1791400 3956.4389 20478.5889 14442.4481 246.0751 -203034.2084 2270.3721 0.0000 0.0000 51673.4138 -109966.8716 296.9678 -161640.2853 -109614.5529 298.1021 -111.5988 -81.3712 763851.1363 -13.5413 -13.4895 PRESSURE: 1791600 -0.85935 71.0383 -116.489 71.0381 20.1217 444.189 -116.489 444.19 -32.9975 GPRESSURE: 1791600 24.5502 38.4328 -120.997 80.8494 26.902 381.211 -18.076 400.732 29.2579 PRESSAVG: 1791600 -64.5299 -0.889084 -6.18262 -0.889086 -7.39442 34.8888 -6.18265 34.8888 -9.83119 GPRESSAVG: 1791600 -64.6915 -1.54451 -7.56989 -0.807611 -7.78623 34.8121 -4.15433 34.0977 -9.72185 TIMING: 1791600 CPU: 5648.93, 0.00320089/step Wall: 5648.93, 0.00320089/step, 2.8527 hours remaining, 239.121094 MB of memory in use. ENERGY: 1791600 3938.9889 20544.8245 14396.6057 254.0301 -203369.3221 2589.5353 0.0000 0.0000 51837.5179 -109807.8196 297.9109 -161645.3375 -109438.3183 297.7475 -4.5784 26.9034 762933.8271 -27.2518 -27.3999 PRESSURE: 1791800 -44.1858 -128.697 177.687 -128.697 150.461 -115.051 177.687 -115.052 -68.0886 GPRESSURE: 1791800 40.6199 -137.282 115.463 -132.962 138.679 -121.501 137.298 -135.393 -51.0794 PRESSAVG: 1791800 -78.1358 11.2215 11.7525 11.2215 42.7265 22.5855 11.7526 22.5855 18.9027 GPRESSAVG: 1791800 -79.0478 10.011 10.6221 10.8497 42.8086 22.2754 11.4624 22.8931 20.0644 TIMING: 1791800 CPU: 5649.57, 0.00322081/step Wall: 5649.57, 0.00322081/step, 2.87028 hours remaining, 239.121094 MB of memory in use. ENERGY: 1791800 3970.3368 20423.1074 14489.6131 241.7189 -203429.4526 2620.3737 0.0000 0.0000 51842.2843 -109842.0183 297.9383 -161684.3027 -109487.9208 298.0570 12.7288 42.7398 762097.7823 -5.5022 -5.3916 PRESSURE: 1792000 40.6139 -79.5873 -83.4038 -79.588 40.4797 114.14 -83.4032 114.14 -175.185 GPRESSURE: 1792000 26.4303 -1.46435 -140.371 -15.44 142.799 130.19 -99.1338 176.823 -167.078 PRESSAVG: 1792000 -84.8556 15.8948 -52.8129 15.8947 57.19 38.6886 -52.8128 38.6886 8.31406 GPRESSAVG: 1792000 -83.721 20.519 -51.7417 14.3412 57.3237 39.4625 -53.3757 39.2291 7.302 TIMING: 1792000 CPU: 5650.21, 0.00319398/step Wall: 5650.21, 0.00319398/step, 2.84619 hours remaining, 239.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1792000 3878.1261 20376.4166 14409.6491 260.2189 -203538.8156 2784.8521 0.0000 0.0000 51940.2013 -109889.3515 298.5011 -161829.5527 -109536.5696 297.9438 -31.3640 0.7169 761509.1598 -6.4505 -6.3651 PRESSURE: 1792200 -165.4 -34.0356 96.5035 -34.0354 -166.926 112.611 96.5032 112.61 -13.998 GPRESSURE: 1792200 -153.781 -36.3723 59.4311 -30.9715 -122.535 -5.85238 140.995 70.6936 36.7479 PRESSAVG: 1792200 -34.6946 14.3738 -15.2226 14.3738 22.9071 -19.4455 -15.2225 -19.4454 17.2718 GPRESSAVG: 1792200 -34.8672 13.3908 -16.6538 16.8022 22.8329 -18.7091 -13.7593 -20.6825 17.755 TIMING: 1792200 CPU: 5650.85, 0.00319627/step Wall: 5650.85, 0.00319627/step, 2.84805 hours remaining, 239.121094 MB of memory in use. ENERGY: 1792200 3970.9956 20400.5996 14472.4306 249.4710 -203205.7172 2467.9642 0.0000 0.0000 51698.9881 -109945.2680 297.1148 -161644.2561 -109586.7086 298.5991 -115.4412 -79.8561 761520.5874 1.8281 1.9069 LDB: ============= START OF LOAD BALANCING ============== 5663.25 LDB: ============== END OF LOAD BALANCING =============== 5663.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5663.25 LDB: ============= START OF LOAD BALANCING ============== 5663.57 LDB: Largest compute 7034 load 0.036541 is 18.6% of average load 0.196044 LDB: Average compute 0.004383 is 2.2% of average load 0.196044 LDB: TIME 5663.58 LOAD: AVG 0.196044 MAX 0.214858 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.953 MB LDB: TIME 5663.58 LOAD: AVG 0.196044 MAX 0.214858 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: TIME 5663.58 LOAD: AVG 0.196044 MAX 0.214858 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: ============== END OF LOAD BALANCING =============== 5663.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5663.59 PRESSURE: 1792400 -195.885 36.5912 -119.062 36.5912 32.4357 18.6954 -119.062 18.6951 -219.805 GPRESSURE: 1792400 -90.0225 -3.59453 -118.117 37.2846 5.5115 -35.8648 -170.294 91.1057 -218.391 PRESSAVG: 1792400 1.72966 4.68907 -21.0433 4.68908 -3.06568 -37.0501 -21.0433 -37.0501 -9.69283 GPRESSAVG: 1792400 1.53015 3.85232 -20.3389 1.55448 -2.69439 -38.9611 -22.9782 -34.6442 -9.78882 TIMING: 1792400 CPU: 5651.5, 0.00327273/step Wall: 5651.5, 0.00327273/step, 2.916 hours remaining, 238.609375 MB of memory in use. ENERGY: 1792400 3895.6666 20495.8080 14400.8584 249.2394 -203612.0964 2362.7815 0.0000 0.0000 52157.5349 -110050.2076 299.7501 -162207.7425 -109682.0343 298.4767 -127.7514 -100.9674 760914.7899 -3.6763 -3.6510 PRESSURE: 1792600 -142.727 164.432 -200.437 164.432 9.68457 1.13198 -200.436 1.13268 -168.398 GPRESSURE: 1792600 -68.5601 196.147 -186.473 120.099 40.7448 31.1069 -204.138 32.2007 -191.06 PRESSAVG: 1792600 -78.4757 32.1299 -17.6201 32.1298 107.074 12.95 -17.6201 12.9501 15.219 GPRESSAVG: 1792600 -78.58 32.0355 -15.464 32.6931 106.464 14.4335 -18.4115 11.8834 15.3799 TIMING: 1792600 CPU: 5652.14, 0.00319531/step Wall: 5652.14, 0.00319532/step, 2.84685 hours remaining, 238.609375 MB of memory in use. ENERGY: 1792600 3983.9860 20451.3823 14491.9145 249.0570 -203362.7545 2512.0089 0.0000 0.0000 51662.8749 -110011.5310 296.9073 -161674.4059 -109651.9386 298.7690 -100.4803 -72.9585 760701.3837 14.6059 14.4211 PRESSURE: 1792800 3.74827 106.459 -131.309 106.458 118.104 -298.252 -131.308 -298.253 275.694 GPRESSURE: 1792800 14.6759 112.396 -146.018 39.5382 143.177 -262.885 -42.2285 -243.308 335.377 PRESSAVG: 1792800 -53.5921 -31.2248 -26.3387 -31.2248 79.5242 32.7108 -26.3387 32.7109 22.6111 GPRESSAVG: 1792800 -53.4517 -31.2959 -27.0008 -29.2183 79.2994 32.635 -24.216 32.9627 22.8894 TIMING: 1792800 CPU: 5652.78, 0.00317421/step Wall: 5652.78, 0.00317421/step, 2.82787 hours remaining, 238.609375 MB of memory in use. ENERGY: 1792800 3851.2639 20480.4992 14416.6533 258.4025 -203433.6274 2507.1231 0.0000 0.0000 51931.3692 -109988.3163 298.4503 -161919.6854 -109631.9561 298.2304 132.5152 164.4099 759844.8123 16.1811 16.2457 PRESSURE: 1793000 -71.3358 48.1872 -61.5964 48.1877 314.452 76.2476 -61.5966 76.2473 144.149 GPRESSURE: 1793000 56.4368 22.6463 -92.0292 31.8037 307.213 55.9341 -9.64216 29.7473 107.332 PRESSAVG: 1793000 -58.8831 -37.7003 -8.43896 -37.7003 79.9832 -3.17247 -8.43896 -3.17242 6.60092 GPRESSAVG: 1793000 -58.4361 -38.9476 -7.85934 -37.9023 81.2945 -3.60475 -10.3818 -2.52007 4.27271 TIMING: 1793000 CPU: 5653.41, 0.00318003/step Wall: 5653.41, 0.00318003/step, 2.83288 hours remaining, 238.609375 MB of memory in use. ENERGY: 1793000 3907.8319 20427.0086 14413.8527 240.9416 -203707.6474 2803.7422 0.0000 0.0000 51976.4540 -109937.8164 298.7094 -161914.2704 -109581.7357 298.1552 129.0883 156.9939 759373.3807 9.2337 9.0437 PRESSURE: 1793200 -243.305 20.2446 -39.7823 20.2447 -304.513 -101.307 -39.7829 -101.307 -2.27435 GPRESSURE: 1793200 -165.614 85.4725 -88.5836 19.8394 -297.474 -91.4585 2.07076 -94.4789 0.461764 PRESSAVG: 1793200 3.8673 -35.1306 9.12231 -35.1306 29.3706 27.1371 9.12232 27.137 24.4136 GPRESSAVG: 1793200 3.07835 -34.3664 8.40728 -34.8539 28.033 26.6951 10.0928 26.8073 25.9899 TIMING: 1793200 CPU: 5654.05, 0.00318127/step Wall: 5654.05, 0.00318127/step, 2.83381 hours remaining, 238.609375 MB of memory in use. ENERGY: 1793200 3926.2051 20366.4358 14420.6861 242.8408 -203067.3674 2213.5781 0.0000 0.0000 51991.7172 -109905.9043 298.7971 -161897.6215 -109532.9463 298.4812 -183.3642 -154.2088 760026.2212 19.2172 19.0338 PRESSURE: 1793400 21.5456 -292.773 3.38646 -292.774 -107.865 35.6158 3.38605 35.6166 107.666 GPRESSURE: 1793400 12.2012 -227.842 -34.0829 -228.32 2.98438 0.489718 79.7425 23.4543 106.815 PRESSAVG: 1793400 5.03273 -120.139 -4.2622 -120.139 0.0624993 -58.8531 -4.26223 -58.8532 14.0102 GPRESSAVG: 1793400 4.84921 -119.729 -4.9405 -119.949 0.487589 -58.2631 -4.03272 -57.5948 14.5052 TIMING: 1793400 CPU: 5654.69, 0.00320145/step Wall: 5654.69, 0.00320145/step, 2.8516 hours remaining, 238.609375 MB of memory in use. ENERGY: 1793400 3965.9947 20349.5870 14432.0465 251.5660 -202903.3371 2245.0135 0.0000 0.0000 51915.9725 -109743.1569 298.3618 -161659.1294 -109380.0202 298.7800 7.1156 40.6669 761141.7424 6.3685 6.6140 PRESSURE: 1793600 8.94982 -111.485 225.007 -111.486 218.286 77.4369 225.008 77.4363 -226.9 GPRESSURE: 1793600 95.5238 -116.184 131.435 -99.2249 261.529 74.6435 225.488 -59.0349 -274.195 PRESSAVG: 1793600 -59.1179 -57.6665 -35.3541 -57.6665 25.6089 -26.5821 -35.3541 -26.5821 -25.5086 GPRESSAVG: 1793600 -58.8023 -55.8325 -34.0999 -58.8284 25.8324 -26.3898 -36.7177 -29.0254 -26.1691 TIMING: 1793600 CPU: 5655.33, 0.00320229/step Wall: 5655.33, 0.00320229/step, 2.85217 hours remaining, 238.609375 MB of memory in use. ENERGY: 1793600 3928.8946 20509.2053 14538.5245 227.7876 -203522.5921 2631.8995 0.0000 0.0000 51852.3859 -109833.8948 297.9964 -161686.2806 -109472.8888 298.3995 0.1120 27.6192 760570.0193 -19.6725 -19.7130 PRESSURE: 1793800 -95.6753 -128.908 -55.6989 -128.909 -55.1909 -205.81 -55.6986 -205.811 -310.975 GPRESSURE: 1793800 5.79844 -123.408 8.83598 -132.419 -121.631 -215.499 -69.1609 -222.998 -258.274 PRESSAVG: 1793800 -29.1253 -49.1551 -17.4593 -49.1551 57.8542 -19.9915 -17.4593 -19.9915 17.6635 GPRESSAVG: 1793800 -28.6289 -49.9281 -17.7273 -50.5142 57.3644 -19.9043 -15.9524 -19.9421 17.9469 TIMING: 1793800 CPU: 5655.96, 0.00317465/step Wall: 5655.96, 0.00317465/step, 2.82738 hours remaining, 238.609375 MB of memory in use. ENERGY: 1793800 3958.7642 20539.2321 14459.1458 253.6762 -203043.4039 2262.1396 0.0000 0.0000 51817.5045 -109752.9414 297.7959 -161570.4459 -109401.3264 299.5051 -153.9470 -124.7022 761620.6761 15.4642 15.5608 PRESSURE: 1794000 147.566 -43.8148 10.2163 -43.8138 41.225 28.932 10.2162 28.9314 -309.471 GPRESSURE: 1794000 216.202 52.7384 -40.9035 -127.143 -24.5223 -7.49435 -10.4532 44.6302 -231.217 PRESSAVG: 1794000 24.8073 -27.4018 1.25333 -27.4018 -12.442 -8.84771 1.2533 -8.84774 6.72887 GPRESSAVG: 1794000 24.1601 -27.2472 0.125362 -27.5823 -12.037 -9.97575 0.173207 -7.16018 6.96847 TIMING: 1794000 CPU: 5656.6, 0.00318518/step Wall: 5656.6, 0.00318518/step, 2.83658 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1794000 3911.2635 20330.0484 14510.9771 254.9138 -203471.4602 2602.3518 0.0000 0.0000 52110.3940 -109751.5116 299.4792 -161861.9056 -109388.9440 298.6968 -40.2266 -13.1791 761287.4526 6.3647 6.3639 PRESSURE: 1794200 -128.885 -31.6939 14.5948 -31.6925 133.039 -223.015 14.5948 -223.015 -32.9782 GPRESSURE: 1794200 -20.5478 -31.1176 81.314 -78.0253 87.1431 -165.957 22.2168 -77.1393 -29.3036 PRESSAVG: 1794200 -45.4544 -16.325 -21.6161 -16.3251 18.0932 -13.9617 -21.6161 -13.9617 -2.4811 GPRESSAVG: 1794200 -44.5888 -15.6703 -18.3783 -16.6998 17.534 -13.2842 -21.5216 -14.6658 -2.83694 TIMING: 1794200 CPU: 5657.24, 0.00318074/step Wall: 5657.24, 0.00318074/step, 2.83245 hours remaining, 238.609375 MB of memory in use. ENERGY: 1794200 3921.0851 20460.0846 14430.6044 236.9059 -203240.8782 2132.7516 0.0000 0.0000 52317.6251 -109741.8214 300.6701 -162059.4465 -109378.5984 298.8816 -9.6080 12.4306 759744.9344 -9.9475 -9.9639 PRESSURE: 1794400 -62.7668 239.928 -271.429 239.928 72.2447 -99.5214 -271.428 -99.5222 235.577 GPRESSURE: 1794400 -157.794 216.881 -168.585 370.616 192.455 -120.771 -390.363 -210.419 301.518 PRESSAVG: 1794400 -12.5938 -26.1227 12.1813 -26.1227 55.9556 -21.2951 12.1813 -21.2951 32.5402 GPRESSAVG: 1794400 -14.6806 -27.145 10.8704 -23.361 57.1963 -21.0722 12.1055 -21.3186 33.5715 TIMING: 1794400 CPU: 5657.87, 0.00317952/step Wall: 5657.87, 0.00317952/step, 2.83119 hours remaining, 238.609375 MB of memory in use. ENERGY: 1794400 3909.8362 20513.2347 14491.5770 224.3539 -203458.9869 2584.2484 0.0000 0.0000 51741.7577 -109993.9789 297.3606 -161735.7367 -109635.8507 298.8670 81.6849 112.0594 760128.1175 25.3006 25.3624 PRESSURE: 1794600 -356.893 21.7648 -33.1474 21.7642 -502.648 -85.4218 -33.1472 -85.421 -16.7308 GPRESSURE: 1794600 -315.764 27.9259 17.2135 32.9095 -432.903 -8.76331 -22.639 -139.704 -35.5712 PRESSAVG: 1794600 -31.0055 -14.6776 -42.7694 -14.6776 43.8934 15.2248 -42.7694 15.2249 20.7836 GPRESSAVG: 1794600 -29.3613 -14.7726 -41.9534 -17.6771 43.104 15.6442 -44.2445 14.7512 20.3787 TIMING: 1794600 CPU: 5658.5, 0.00315059/step Wall: 5658.5, 0.00315059/step, 2.80525 hours remaining, 238.609375 MB of memory in use. ENERGY: 1794600 3944.0219 20572.7370 14438.5673 245.3159 -203209.5517 2209.6646 0.0000 0.0000 52011.3293 -109787.9157 298.9098 -161799.2450 -109420.4299 298.3848 -292.0907 -261.4126 760955.0994 11.2238 11.3738 PRESSURE: 1794800 77.7446 201.135 84.105 201.135 114.948 57.7578 84.1043 57.7588 37.0326 GPRESSURE: 1794800 89.3616 167.383 115.05 155.126 124.238 54.2073 56.0382 97.6501 100.247 PRESSAVG: 1794800 8.1548 -8.17791 -38.7334 -8.17803 -34.7225 -19.2653 -38.7334 -19.2652 -14.5447 GPRESSAVG: 1794800 8.95265 -9.9619 -39.4166 -7.79918 -34.7215 -20.3966 -37.5133 -19.6946 -15.1194 TIMING: 1794800 CPU: 5659.14, 0.00318221/step Wall: 5659.14, 0.00318221/step, 2.83323 hours remaining, 238.609375 MB of memory in use. ENERGY: 1794800 3951.2425 20425.6538 14439.7584 240.2406 -203509.0449 2598.7858 0.0000 0.0000 52106.7561 -109746.6076 299.4582 -161853.3638 -109388.2255 298.3622 76.5750 104.6155 761088.6439 -13.7041 -13.6294 PRESSURE: 1795000 63.2276 100.85 81.0332 100.85 -42.4637 -148.414 81.0329 -148.414 -162.392 GPRESSURE: 1795000 75.7725 87.8822 28.748 77.7932 -49.5716 -196.746 -60.7876 -196.024 -83.2415 PRESSAVG: 1795000 31.4568 28.3571 -22.6139 28.3571 15.3675 -11.7585 -22.6139 -11.7585 14.4055 GPRESSAVG: 1795000 30.7316 30.3837 -24.1709 30.4164 15.5895 -10.1207 -21.2822 -10.9481 15.2108 TIMING: 1795000 CPU: 5659.78, 0.00318107/step Wall: 5659.78, 0.00318107/step, 2.83204 hours remaining, 238.609375 MB of memory in use. ENERGY: 1795000 4055.0693 20277.7681 14391.7950 243.0070 -203066.1954 2601.6001 0.0000 0.0000 51900.7466 -109596.2092 298.2743 -161496.9559 -109241.3159 299.2019 -47.2094 -19.0135 762133.7110 20.4100 20.5106 PRESSURE: 1795200 -576.878 7.17225 145.048 7.17252 -61.227 -2.36814 145.047 -2.36766 0.220321 GPRESSURE: 1795200 -488.176 -67.9366 147.917 -8.74886 1.41656 -9.75184 38.1821 142.941 -81.1293 PRESSAVG: 1795200 -40.8236 -19.1542 26.179 -19.1542 67.8277 -21.5679 26.179 -21.5678 21.7994 GPRESSAVG: 1795200 -40.4326 -18.8799 26.4029 -19.2741 67.5894 -21.9109 23.9325 -22.8825 21.579 TIMING: 1795200 CPU: 5660.41, 0.00318898/step Wall: 5660.41, 0.00318898/step, 2.8389 hours remaining, 238.609375 MB of memory in use. ENERGY: 1795200 3975.3688 20488.2924 14336.6537 231.5389 -203279.4329 2596.3677 0.0000 0.0000 52077.8814 -109573.3300 299.2923 -161651.2114 -109213.3910 298.9189 -212.6283 -189.2964 761581.1569 16.2678 16.2453 PRESSURE: 1795400 19.5099 91.5017 75.8401 91.5013 40.4465 -82.2391 75.8407 -82.2394 98.0057 GPRESSURE: 1795400 99.7159 41.4795 58.7296 -20.3937 1.57627 -90.037 48.6775 -64.4935 148.757 PRESSAVG: 1795400 7.29531 14.3223 23.4793 14.3223 16.3887 -9.8035 23.4792 -9.80354 -11.8313 GPRESSAVG: 1795400 8.42059 16.2535 24.5959 13.5643 16.2275 -9.2905 23.3482 -7.21974 -12.5818 TIMING: 1795400 CPU: 5661.05, 0.00318461/step Wall: 5661.05, 0.00318461/step, 2.83484 hours remaining, 238.609375 MB of memory in use. ENERGY: 1795400 3953.4554 20396.6670 14366.5308 242.9161 -203650.2239 2687.4497 0.0000 0.0000 52356.4588 -109646.7462 300.8933 -162003.2050 -109289.2669 299.2191 52.6540 83.3496 761502.3175 3.9509 4.0221 PRESSURE: 1795600 -178.518 -179.987 -261.847 -179.987 46.6104 -113.29 -261.846 -113.289 62.4525 GPRESSURE: 1795600 -116.57 -246.239 -168.009 -157.233 83.2721 -101.655 -256.405 2.57606 71.2069 PRESSAVG: 1795600 14.6965 26.5457 4.10539 26.5457 -14.6171 -12.8604 4.10538 -12.8604 19.4093 GPRESSAVG: 1795600 12.4017 25.1123 3.95239 25.6077 -13.7409 -13.0598 4.64085 -15.4209 20.6924 TIMING: 1795600 CPU: 5661.69, 0.00321673/step Wall: 5661.69, 0.00321673/step, 2.86325 hours remaining, 238.609375 MB of memory in use. ENERGY: 1795600 3977.4401 20293.7155 14437.5612 251.5609 -202835.0847 2161.9507 0.0000 0.0000 52202.9601 -109509.8962 300.0111 -161712.8562 -109149.1897 299.3091 -23.1518 12.6363 760343.7362 6.4962 6.4511 PRESSURE: 1795800 -188.457 -92.7544 -76.2143 -92.7554 -206.455 56.7488 -76.2144 56.7489 375.248 GPRESSURE: 1795800 -131.625 -79.5354 -120.895 18.9433 -137.705 7.06603 -102.732 172.122 329.044 PRESSAVG: 1795800 15.9477 -65.2475 -69.3973 -65.2475 -8.80199 3.15776 -69.3973 3.15778 -21.2365 GPRESSAVG: 1795800 15.7221 -64.2508 -70.851 -64.5031 -9.07661 0.544847 -69.3526 5.31633 -20.9737 TIMING: 1795800 CPU: 5662.33, 0.00319428/step Wall: 5662.33, 0.00319428/step, 2.84309 hours remaining, 238.609375 MB of memory in use. ENERGY: 1795800 3917.6890 20401.2977 14439.6516 236.1526 -202668.3280 2304.9809 0.0000 0.0000 51947.9313 -109420.6249 298.5455 -161368.5562 -109060.3512 299.3613 -6.5545 19.9045 761641.4358 -4.6969 -4.7761 PRESSURE: 1796000 48.7534 202.392 17.3611 202.392 -684.641 -110.56 17.3611 -110.559 -27.3853 GPRESSURE: 1796000 88.3429 200.241 112.74 261.224 -643.048 -194.462 -27.2119 -208.354 -25.3759 PRESSAVG: 1796000 37.5914 -27.8913 -35.1975 -27.8913 -5.16361 -6.14493 -35.1974 -6.14482 5.83001 GPRESSAVG: 1796000 39.6253 -27.1604 -32.3324 -30.1754 -6.74103 -5.10354 -35.8727 -7.94124 5.23137 TIMING: 1796000 CPU: 5662.97, 0.00316594/step Wall: 5662.97, 0.00316594/step, 2.81769 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1796000 3942.2565 20425.1735 14503.9749 255.9774 -203182.1476 2397.1428 0.0000 0.0000 52254.8770 -109402.7455 300.3095 -161657.6225 -109028.4024 299.4137 -221.0911 -193.3602 761887.6579 12.7526 12.7052 PRESSURE: 1796200 -210.976 131.632 136.319 131.632 152.315 -193.777 136.319 -193.776 -246.013 GPRESSURE: 1796200 -133.859 211.251 158.932 134.375 187.874 -260.508 27.4283 -152.881 -269.882 PRESSAVG: 1796200 69.7583 -12.1126 -5.05676 -12.1126 -65.4562 -32.8915 -5.05671 -32.8914 -15.6554 GPRESSAVG: 1796200 69.3583 -13.0361 -6.93655 -9.70776 -64.8981 -31.4413 -2.33467 -31.1332 -15.2779 TIMING: 1796200 CPU: 5663.6, 0.00318455/step Wall: 5663.6, 0.00318455/step, 2.83407 hours remaining, 238.609375 MB of memory in use. ENERGY: 1796200 3973.3222 20492.7440 14467.6626 245.9384 -203122.7904 2536.2628 0.0000 0.0000 52181.0994 -109225.7611 299.8855 -161406.8605 -108868.1920 300.0363 -101.5584 -71.9557 762075.5448 -3.7844 -3.6059 LDB: ============= START OF LOAD BALANCING ============== 5676 LDB: ============== END OF LOAD BALANCING =============== 5676 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5676.01 LDB: ============= START OF LOAD BALANCING ============== 5676.32 LDB: Largest compute 7034 load 0.034120 is 17.4% of average load 0.195965 LDB: Average compute 0.004389 is 2.2% of average load 0.195965 LDB: TIME 5676.33 LOAD: AVG 0.195965 MAX 0.213627 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 5676.33 LOAD: AVG 0.195965 MAX 0.213627 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: TIME 5676.33 LOAD: AVG 0.195965 MAX 0.213627 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: ============== END OF LOAD BALANCING =============== 5676.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5676.33 PRESSURE: 1796400 33.6742 -41.2118 154.825 -41.2114 -112.858 242.87 154.824 242.87 -12.6931 GPRESSURE: 1796400 31.3173 -1.35457 219.807 -99.5808 -27.9012 207.033 83.4706 162.298 -8.97462 PRESSAVG: 1796400 17.4322 42.972 10.462 42.9719 -30.861 72.0192 10.462 72.0192 -1.93776 GPRESSAVG: 1796400 17.8271 43.2019 11.4218 41.4108 -31.9164 71.222 8.27006 71.0172 -1.58383 TIMING: 1796400 CPU: 5664.25, 0.00323968/step Wall: 5664.25, 0.00323968/step, 2.88295 hours remaining, 238.863281 MB of memory in use. ENERGY: 1796400 4057.9787 20594.4967 14450.8195 246.0080 -203112.2891 2384.3216 0.0000 0.0000 52189.7918 -109188.8727 299.9355 -161378.6645 -108834.1032 300.0343 -30.6257 -1.8529 761092.0766 -5.1222 -5.2244 PRESSURE: 1796600 -85.9264 -30.1881 -187.728 -30.188 -90.0696 -123.748 -187.728 -123.747 164.143 GPRESSURE: 1796600 -102.158 -90.6515 -219.374 -22.3046 -7.52973 -120.268 -196.274 -140.918 191.507 PRESSAVG: 1796600 20.2706 -43.0117 49.0803 -43.0117 -9.93914 -22.7476 49.0804 -22.7477 4.46951 GPRESSAVG: 1796600 18.7559 -43.216 48.1666 -41.8204 -7.99094 -22.0059 48.4847 -23.659 4.35943 TIMING: 1796600 CPU: 5664.89, 0.00319761/step Wall: 5664.89, 0.00319761/step, 2.84534 hours remaining, 239.066406 MB of memory in use. ENERGY: 1796600 3902.1370 20544.0710 14434.5715 260.6442 -202772.1147 2216.8287 0.0000 0.0000 52258.2417 -109155.6205 300.3288 -161413.8622 -108781.3398 300.4160 -3.9510 27.2731 759198.4815 4.9337 5.0415 PRESSURE: 1796800 -100.541 -3.97244 -102.316 -3.97293 -181.419 -50.8998 -102.317 -50.8986 -87.2433 GPRESSURE: 1796800 -5.81538 5.7268 -164.638 28.977 -160.135 84.4606 -50.7307 5.28645 -107.775 PRESSAVG: 1796800 -13.1333 -2.8887 -7.59002 -2.8887 -7.91853 15.4879 -7.59 15.4879 3.71584 GPRESSAVG: 1796800 -10.6958 -2.06487 -7.88658 -4.59956 -9.55576 14.8893 -6.31555 18.0194 3.28592 TIMING: 1796800 CPU: 5665.53, 0.0031856/step Wall: 5665.53, 0.0031856/step, 2.83447 hours remaining, 239.066406 MB of memory in use. ENERGY: 1796800 3938.3298 20502.6402 14457.6623 264.5101 -202909.3137 2465.9049 0.0000 0.0000 52168.5000 -109111.7665 299.8131 -161280.2665 -108749.8513 299.9437 -123.0678 -91.2417 760661.7450 -5.7787 -5.6552 PRESSURE: 1797000 -238.512 -42.1676 172.182 -42.1673 -103.411 -52.8776 172.184 -52.8769 158.058 GPRESSURE: 1797000 -210.986 -28.8343 296.982 -100.229 -54.3202 4.13744 128.992 -130.17 167.246 PRESSAVG: 1797000 9.52666 -28.5553 -32.3991 -28.5553 16.7294 42.8758 -32.3991 42.8758 13.8852 GPRESSAVG: 1797000 8.10819 -29.1262 -31.3525 -26.6949 18.0745 41.9258 -31.3971 40.951 13.9676 TIMING: 1797000 CPU: 5666.16, 0.00317285/step Wall: 5666.16, 0.00317285/step, 2.82296 hours remaining, 239.066406 MB of memory in use. ENERGY: 1797000 3967.7541 20642.8424 14494.9383 263.1059 -202958.6338 2428.2864 0.0000 0.0000 52105.4438 -109056.2629 299.4507 -161161.7067 -108699.0145 300.0295 -61.2884 -32.6867 762478.9507 13.3804 13.3834 PRESSURE: 1797200 53.6175 -200.29 -58.4385 -200.29 -81.5276 208.385 -58.4381 208.385 131.157 GPRESSURE: 1797200 -40.3337 -101.809 12.0433 -168.559 -29.6939 247.722 -71.0868 225.864 246.405 PRESSAVG: 1797200 4.33502 -27.9475 -86.021 -27.9475 -32.2621 7.74969 -86.0209 7.74969 20.7561 GPRESSAVG: 1797200 4.15198 -27.2106 -85.3278 -29.3377 -31.2921 8.76309 -87.1127 8.88334 19.9961 TIMING: 1797200 CPU: 5666.79, 0.00314755/step Wall: 5666.79, 0.00314755/step, 2.80027 hours remaining, 239.066406 MB of memory in use. ENERGY: 1797200 3964.9449 20444.0997 14541.1126 253.1959 -203222.9442 2515.4419 0.0000 0.0000 52368.8706 -109135.2785 300.9646 -161504.1490 -108776.4678 300.1235 34.4155 58.7926 760071.1539 -2.3903 -2.3813 PRESSURE: 1797400 179.238 -197.251 -63.3512 -197.251 157.993 2.20786 -63.3502 2.20761 257.137 GPRESSURE: 1797400 211.179 -212.536 -26.0543 -96.9243 233.234 52.6162 -67.9147 -83.169 241.301 PRESSAVG: 1797400 5.48562 -41.5552 -38.6462 -41.5552 -0.417367 46.2408 -38.6461 46.2408 2.75 GPRESSAVG: 1797400 7.12102 -43.3728 -42.0269 -39.1179 -1.18439 47.1819 -37.3299 44.6181 2.73825 TIMING: 1797400 CPU: 5667.42, 0.00315285/step Wall: 5667.42, 0.00315285/step, 2.80481 hours remaining, 239.066406 MB of memory in use. ENERGY: 1797400 3960.8413 20514.3668 14508.5549 255.5696 -203224.3211 2453.2250 0.0000 0.0000 52270.2558 -109261.5076 300.3979 -161531.7634 -108897.6671 299.8289 198.1228 228.5711 760158.1672 2.6061 2.8916 PRESSURE: 1797600 -199.915 105.002 186.395 105.001 -104.3 87.3797 186.395 87.3811 -295.652 GPRESSURE: 1797600 -148.807 52.948 221.381 -17.7505 -133.406 -6.98941 60.9149 51.1665 -235.308 PRESSAVG: 1797600 41.906 -35.9891 -52.8155 -35.9891 -45.8902 43.6092 -52.8155 43.6093 19.035 GPRESSAVG: 1797600 42.1043 -38.0622 -50.9208 -37.2734 -46.3955 42.3675 -53.4432 41.9727 19.1331 TIMING: 1797600 CPU: 5668.05, 0.00315121/step Wall: 5668.05, 0.00315121/step, 2.80318 hours remaining, 239.066406 MB of memory in use. ENERGY: 1797600 4054.2246 20411.6739 14502.0865 257.0974 -203063.1533 2431.2225 0.0000 0.0000 52116.9908 -109289.8575 299.5171 -161406.8483 -108925.7120 300.2688 -199.9556 -172.5068 762192.4162 5.0170 4.9473 PRESSURE: 1797800 -263.562 84.0716 -48.1722 84.0719 -392.929 -72.0583 -48.1715 -72.0589 -239.567 GPRESSURE: 1797800 -243.095 99.4718 33.4335 62.4987 -374.216 -21.1471 -39.6761 -9.44794 -207.636 PRESSAVG: 1797800 31.1957 12.3842 -26.6685 12.3842 -75.9351 22.2662 -26.6686 22.2662 -7.15096 GPRESSAVG: 1797800 30.3215 14.7445 -25.2381 11.5388 -74.9834 22.394 -27.8644 25.1081 -7.34776 TIMING: 1797800 CPU: 5668.69, 0.00316713/step Wall: 5668.69, 0.00316713/step, 2.81716 hours remaining, 239.066406 MB of memory in use. ENERGY: 1797800 4020.7749 20384.2302 14467.1216 254.4548 -203411.9953 2494.7161 0.0000 0.0000 52405.6981 -109384.9995 301.1763 -161790.6976 -109016.1371 299.3570 -298.6858 -274.9824 761347.5378 -17.2968 -17.3366 PRESSURE: 1798000 323.203 -75.2423 -93.2292 -75.2411 -306.851 73.2024 -93.2299 73.2035 38.1752 GPRESSURE: 1798000 287.677 -103.303 -181.767 -97.2869 -184.936 23.6569 -101.286 65.3466 34.9721 PRESSAVG: 1798000 22.3836 41.0135 -48.3257 41.0135 -64.0051 50.3493 -48.3257 50.3494 -14.9603 GPRESSAVG: 1798000 22.6371 40.7034 -49.4918 42.6608 -64.6947 49.7391 -48.1762 51.5834 -14.7398 TIMING: 1798000 CPU: 5669.32, 0.00317341/step Wall: 5669.32, 0.00317341/step, 2.82257 hours remaining, 239.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1798000 4000.7594 20494.5495 14492.9418 256.4449 -203023.6651 2414.4285 0.0000 0.0000 52166.2179 -109198.3232 299.8000 -161364.5411 -108832.3125 299.7796 18.1755 45.9045 763166.3673 -18.8606 -18.9324 PRESSURE: 1798200 -225.155 55.4419 -174.382 55.4406 19.3834 -20.5425 -174.382 -20.5428 -298.414 GPRESSURE: 1798200 -164.519 -50.9798 -155.841 -65.1657 90.4133 -9.46564 -44.3745 -41.9613 -325.438 PRESSAVG: 1798200 72.5369 5.44397 -52.549 5.44393 -63.822 46.4302 -52.5491 46.4301 11.1003 GPRESSAVG: 1798200 72.2144 6.61539 -51.5011 3.18887 -63.4696 47.1233 -51.7739 44.2298 11.207 TIMING: 1798200 CPU: 5669.95, 0.00316341/step Wall: 5669.95, 0.00316341/step, 2.8135 hours remaining, 239.066406 MB of memory in use. ENERGY: 1798200 3986.3472 20631.1530 14472.4671 246.3505 -203127.8786 2420.9244 0.0000 0.0000 52000.3478 -109370.2886 298.8467 -161370.6364 -109009.4342 299.2623 -168.0620 -133.1811 761655.7227 6.6051 6.6506 PRESSURE: 1798400 110.923 125.268 -58.7544 125.268 -528.142 205.761 -58.7545 205.759 -126.727 GPRESSURE: 1798400 70.6425 98.1651 -44.7368 155.737 -349.022 196.443 -20.303 189.495 -172.938 PRESSAVG: 1798400 61.8393 -0.849886 -37.185 -0.849836 28.7191 60.0656 -37.1851 60.0655 -4.56295 GPRESSAVG: 1798400 62.6746 -0.593261 -38.2174 -0.394992 28.6536 60.6788 -36.8512 61.2813 -4.62551 TIMING: 1798400 CPU: 5670.58, 0.00315122/step Wall: 5670.58, 0.00315121/step, 2.80248 hours remaining, 239.066406 MB of memory in use. ENERGY: 1798400 4036.1939 20643.2724 14446.4706 231.0712 -203361.5609 2549.4837 0.0000 0.0000 51993.0112 -109462.0579 298.8045 -161455.0691 -109107.9608 299.2084 -181.3154 -150.4390 760383.0534 28.6651 28.9009 PRESSURE: 1798600 -331.998 20.399 -33.4661 20.3995 59.4036 -135.039 -33.4663 -135.039 106.339 GPRESSURE: 1798600 -247.343 70.9234 -17.5241 76.9062 52 -131.273 -44.8646 14.296 117.329 PRESSAVG: 1798600 -26.0045 35.8526 -37.776 35.8526 21.3417 39.562 -37.776 39.5621 0.875683 GPRESSAVG: 1798600 -26.409 35.3851 -37.2834 37.0514 21.6498 38.0747 -40.5144 41.1765 0.468004 TIMING: 1798600 CPU: 5671.21, 0.00314298/step Wall: 5671.21, 0.00314298/step, 2.79498 hours remaining, 239.066406 MB of memory in use. ENERGY: 1798600 3972.2684 20417.0306 14437.7808 242.0957 -203144.4449 2595.0764 0.0000 0.0000 52009.1402 -109471.0527 298.8972 -161480.1929 -109109.6187 299.2864 -55.4185 -26.0046 762170.0729 -1.2624 -1.4304 PRESSURE: 1798800 -342.956 -50.7508 -185.465 -50.7499 -521.307 -13.4437 -185.465 -13.4435 -211.331 GPRESSURE: 1798800 -284.993 -186.161 -99.0059 12.158 -522.091 -42.0689 -274.475 12.4072 -165.086 PRESSAVG: 1798800 -25.7195 64.2213 -47.5445 64.2214 22.9925 -26.4867 -47.5445 -26.4867 5.69832 GPRESSAVG: 1798800 -25.1476 64.3517 -47.5519 62.9779 22.5054 -25.5185 -47.0174 -27.7375 5.49518 TIMING: 1798800 CPU: 5671.84, 0.00313578/step Wall: 5671.84, 0.00313578/step, 2.7884 hours remaining, 239.066406 MB of memory in use. ENERGY: 1798800 3984.9541 20693.9709 14419.8876 238.4901 -202928.2400 2289.6158 0.0000 0.0000 51838.8180 -109462.5036 297.9184 -161301.3216 -109104.2639 299.1222 -358.5317 -324.0568 762885.7449 0.9904 0.9510 PRESSURE: 1799000 135.531 -295.466 -8.44302 -295.467 -71.3237 292.132 -8.44238 292.131 261.112 GPRESSURE: 1799000 85.7227 -131.979 61.2029 -200.408 8.09986 250.867 -27.7562 311.823 310.12 PRESSAVG: 1799000 7.90547 -16.2791 2.31849 -16.2791 -19.9749 10.3257 2.31853 10.3256 15.9649 GPRESSAVG: 1799000 5.69195 -18.2851 2.38989 -14.4882 -18.4266 11.4951 1.61681 9.33034 16.3246 TIMING: 1799000 CPU: 5672.47, 0.00316021/step Wall: 5672.47, 0.00316021/step, 2.80995 hours remaining, 239.066406 MB of memory in use. ENERGY: 1799000 3970.6719 20624.3506 14386.8061 259.2967 -203441.6627 2617.2595 0.0000 0.0000 52038.5627 -109544.7153 299.0663 -161583.2779 -109176.0152 299.3292 108.4399 134.6476 759249.8873 1.2985 1.1966 PRESSURE: 1799200 -272.172 216.419 -135.716 216.42 -323.885 -39.1352 -135.716 -39.1351 86.3534 GPRESSURE: 1799200 -154.509 243.769 -159.139 187.271 -342.539 -55.4192 -118.115 -32.5652 82.5436 PRESSAVG: 1799200 49.952 48.2412 -13.0667 48.2412 -21.0456 17.839 -13.0668 17.8391 -9.75965 GPRESSAVG: 1799200 50.7007 50.2764 -12.6335 46.0491 -21.8193 15.9199 -9.78595 18.2659 -9.31075 TIMING: 1799200 CPU: 5673.1, 0.00315354/step Wall: 5673.1, 0.00315354/step, 2.80385 hours remaining, 239.066406 MB of memory in use. ENERGY: 1799200 3951.9837 20585.8880 14440.7321 238.9928 -203442.9396 2601.2972 0.0000 0.0000 52234.6617 -109389.3840 300.1933 -161624.0457 -109027.1333 299.4195 -169.9014 -138.1679 760939.6444 6.3823 6.5235 PRESSURE: 1799400 126.403 -237.582 94.9732 -237.581 191.633 -174.731 94.9734 -174.731 131.787 GPRESSURE: 1799400 202.701 -184.814 101.77 -109.792 133.175 -134.095 -43.3578 -61.6668 206.145 PRESSAVG: 1799400 1.57927 -0.28877 8.73449 -0.288756 -29.0779 -16.8571 8.73452 -16.8571 -11.1365 GPRESSAVG: 1799400 2.59088 -0.259913 7.67754 0.642647 -29.3875 -16.974 6.39651 -17.9738 -10.7872 TIMING: 1799400 CPU: 5673.74, 0.00316414/step Wall: 5673.74, 0.00316414/step, 2.8131 hours remaining, 239.066406 MB of memory in use. ENERGY: 1799400 4018.2681 20505.4713 14507.3859 244.3053 -203348.7071 2680.1131 0.0000 0.0000 52269.4770 -109123.6865 300.3934 -161393.1635 -108759.8480 299.7308 149.9411 180.6738 761790.9844 -12.8784 -12.5279 PRESSURE: 1799600 -373.668 -151.158 222.337 -151.159 -67.8709 -23.1569 222.337 -23.1573 -113.15 GPRESSURE: 1799600 -404.942 -106.584 208.394 -130.782 -20.9962 17.2899 177.574 36.9476 -35.5356 PRESSAVG: 1799600 18.247 18.931 44.0732 18.931 32.652 13.1895 44.0732 13.1896 -19.3644 GPRESSAVG: 1799600 17.732 17.6596 43.374 20.6416 32.6584 14.2272 44.6589 14.1802 -18.7045 TIMING: 1799600 CPU: 5674.37, 0.00314984/step Wall: 5674.37, 0.00314984/step, 2.80021 hours remaining, 239.066406 MB of memory in use. ENERGY: 1799600 4069.1304 20610.5356 14416.6694 224.9941 -203160.4844 2422.0714 0.0000 0.0000 52233.9223 -109183.1612 300.1891 -161417.0836 -108826.2588 300.0970 -184.8962 -153.8246 762939.3435 10.5115 10.5620 PRESSURE: 1799800 134.506 24.7302 10.1805 24.7311 -131.949 32.4537 10.1806 32.453 -121.251 GPRESSURE: 1799800 132.093 101.95 107.381 33.846 -70.085 1.1006 -81.2878 -46.0181 -89.7564 PRESSAVG: 1799800 8.75699 70.8777 14.7632 70.8777 -9.47813 0.731212 14.7632 0.731191 14.06 GPRESSAVG: 1799800 7.73166 72.4962 14.3975 69.2034 -8.72663 -1.12053 15.9541 0.0897927 14.1164 TIMING: 1799800 CPU: 5675, 0.00316455/step Wall: 5675, 0.00316455/step, 2.81311 hours remaining, 239.066406 MB of memory in use. ENERGY: 1799800 3954.3060 20579.4796 14385.9456 250.1548 -203537.5548 2818.9562 0.0000 0.0000 52097.1226 -109451.5899 299.4029 -161548.7125 -109081.2236 300.0029 -39.5647 -9.2495 761816.6480 4.4463 4.3738 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800000 -134.79 9.76106 422.291 9.76168 -194.731 396.666 422.291 396.665 -92.7945 GPRESSURE: 1800000 -101.443 102.585 396.489 145.239 -186.919 384.785 305.928 310.082 -62.4271 PRESSAVG: 1800000 -9.91335 22.9566 9.1508 22.9566 36.3551 28.1766 9.15082 28.1766 18.1578 GPRESSAVG: 1800000 -9.2482 21.0442 10.1527 25.1502 35.1426 28.9016 8.895 27.2416 18.1476 TIMING: 1800000 CPU: 5675.65, 0.00326882/step Wall: 5675.65, 0.00326882/step, 2.90562 hours remaining, 239.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1800000 3952.1853 20627.6588 14470.7047 238.2594 -203348.0126 2546.9693 0.0000 0.0000 52066.7821 -109445.4532 299.2285 -161512.2352 -109086.7151 299.5514 -140.7720 -116.9296 761900.2051 14.8665 14.6806 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 PRESSURE: 1800200 -319.288 102.75 -115.091 102.75 28.7407 -233.341 -115.091 -233.34 -235.103 GPRESSURE: 1800200 -274.652 112.797 -2.71225 89.1242 71.5449 -202.927 -57.5254 -301.311 -248.875 PRESSAVG: 1800200 -76.2642 27.178 6.40397 27.178 57.2328 -14.9916 6.40399 -14.9916 10.8382 GPRESSAVG: 1800200 -76.1132 29.1097 5.83223 24.2373 57.3657 -14.7053 5.69167 -15.7078 10.6795 TIMING: 1800200 CPU: 5676.29, 0.00316935/step Wall: 5676.29, 0.00316935/step, 2.81702 hours remaining, 239.066406 MB of memory in use. ENERGY: 1800200 3995.5752 20405.0216 14423.6918 239.0494 -203207.0586 2263.2153 0.0000 0.0000 52053.7816 -109826.7238 299.1538 -161880.5054 -109455.4606 299.2494 -175.2170 -150.6607 761767.2365 -2.7311 -2.6894 LDB: ============= START OF LOAD BALANCING ============== 5688.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5688.69 LDB: =============== DONE WITH MIGRATION ================ 5688.69 LDB: ============= START OF LOAD BALANCING ============== 5689.01 LDB: Largest compute 7034 load 0.035108 is 17.9% of average load 0.195896 LDB: Average compute 0.004410 is 2.3% of average load 0.195896 LDB: TIME 5689.01 LOAD: AVG 0.195896 MAX 0.216153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 5689.01 LOAD: AVG 0.195896 MAX 0.216153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 5689.01 LOAD: AVG 0.195896 MAX 0.216153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 5689.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5689.02 PRESSURE: 1800400 -18.8407 -224.494 -202.915 -224.495 -4.81764 -18.219 -202.914 -18.2184 -99.4722 GPRESSURE: 1800400 67.6376 -161.27 -222.922 -156.82 43.6413 -12.0137 -186.1 -116.384 -144.733 PRESSAVG: 1800400 -11.8077 -2.01744 -39.3751 -2.01745 7.46421 -54.0071 -39.3751 -54.0072 -25.5493 GPRESSAVG: 1800400 -11.5136 -4.04994 -38.502 -0.713585 7.26915 -53.5139 -38.471 -53.8846 -25.0926 TIMING: 1800400 CPU: 5676.93, 0.00324344/step Wall: 5676.93, 0.00324344/step, 2.8827 hours remaining, 239.632812 MB of memory in use. ENERGY: 1800400 4066.0153 20613.9380 14517.9169 224.6885 -203633.3917 2546.7252 0.0000 0.0000 51761.5421 -109902.5656 297.4743 -161664.1077 -109543.5141 298.2600 -41.0435 -11.1515 760712.4834 -9.9643 -9.7790 PRESSURE: 1800600 -155.773 59.5117 107.677 59.5119 -107.891 161.097 107.677 161.098 106.388 GPRESSURE: 1800600 -148.63 -40.529 95.7116 90.1346 -73.694 132.495 -42.0054 89.3042 145.246 PRESSAVG: 1800600 -43.0776 0.573344 -17.7944 0.573296 33.4513 -20.7083 -17.7945 -20.7083 -3.09536 GPRESSAVG: 1800600 -43.1813 3.0429 -18.4305 -0.313005 34.1361 -21.7291 -20.4984 -19.9511 -3.77311 TIMING: 1800600 CPU: 5677.56, 0.00313227/step Wall: 5677.56, 0.00313227/step, 2.78372 hours remaining, 239.835938 MB of memory in use. ENERGY: 1800600 4050.8787 20653.7332 14363.7395 237.6298 -203775.7289 2629.1339 0.0000 0.0000 51989.1969 -109851.4169 298.7826 -161840.6138 -109488.1525 298.3008 -52.4254 -25.6929 761492.7809 -4.2405 -4.2728 PRESSURE: 1800800 -167.297 -57.523 -208.956 -57.5242 230.193 -102.511 -208.956 -102.511 291.427 GPRESSURE: 1800800 -97.1269 -57.7935 -182.476 -59.009 236.767 -35.0093 -220.823 -81.8289 306.866 PRESSAVG: 1800800 -21.3631 -21.4275 -47.9345 -21.4276 26.1061 -30.5502 -47.9345 -30.5502 -8.23998 GPRESSAVG: 1800800 -20.8084 -22.5037 -48.1429 -21.9255 25.8358 -29.4979 -45.8471 -32.3764 -7.81241 TIMING: 1800800 CPU: 5678.19, 0.00314364/step Wall: 5678.19, 0.00314364/step, 2.79365 hours remaining, 239.835938 MB of memory in use. ENERGY: 1800800 3888.5698 20579.7955 14441.1674 240.9739 -203854.3476 2789.1403 0.0000 0.0000 51956.1831 -109958.5176 298.5929 -161914.7007 -109597.0447 298.8632 118.1078 148.8356 761352.3313 -1.1657 -0.9283 PRESSURE: 1801000 -150.346 170.641 39.1296 170.641 219.179 -153.809 39.1287 -153.809 372.651 GPRESSURE: 1801000 -71.4211 166.889 95.0923 199.642 194.755 -152.028 -83.6995 -210.928 371.739 PRESSAVG: 1801000 -57.0241 18.6646 -47.8066 18.6646 34.8154 -6.49238 -47.8065 -6.49247 0.11408 GPRESSAVG: 1801000 -57.1141 18.3844 -47.5503 18.2553 34.7729 -6.97728 -46.6782 -5.87955 0.255725 TIMING: 1801000 CPU: 5678.83, 0.00317841/step Wall: 5678.83, 0.00317841/step, 2.82437 hours remaining, 239.835938 MB of memory in use. ENERGY: 1801000 3975.9736 20605.4667 14437.1389 248.9920 -203642.4237 2453.8597 0.0000 0.0000 52164.6428 -109756.3500 299.7909 -161920.9928 -109383.5073 298.6233 147.1612 165.0244 761432.5172 -7.3649 -7.3618 PRESSURE: 1801200 47.2993 -28.3589 59.7094 -28.3591 -30.1835 113.905 59.7093 113.905 -66.0438 GPRESSURE: 1801200 40.5113 52.5094 -1.98579 -132.715 -9.40397 62.8478 237.478 201.662 -13.761 PRESSAVG: 1801200 5.17379 -35.7455 -63.5575 -35.7456 -37.0091 47.8125 -63.5576 47.8124 27.9112 GPRESSAVG: 1801200 4.93988 -35.8717 -64.9091 -33.54 -36.74 46.6779 -63.8892 51.7146 28.0949 TIMING: 1801200 CPU: 5679.46, 0.00317161/step Wall: 5679.46, 0.00317161/step, 2.81815 hours remaining, 239.835938 MB of memory in use. ENERGY: 1801200 3995.8029 20631.1379 14473.0871 250.6195 -203262.8052 2564.5529 0.0000 0.0000 51750.7418 -109596.8632 297.4122 -161347.6050 -109246.0497 299.0983 -16.3093 5.7821 761852.3213 -1.3081 -1.2351 PRESSURE: 1801400 -35.44 118.188 40.9685 118.189 249.118 -79.996 40.9683 -79.9964 522.66 GPRESSURE: 1801400 -28.673 108.416 17.2244 207.049 279.662 -130.774 85.4045 -95.3992 567.885 PRESSAVG: 1801400 -2.37378 -5.37136 -41.6861 -5.37138 32.1174 23.5551 -41.6861 23.5551 -7.7998 GPRESSAVG: 1801400 -2.40884 -7.4311 -39.9792 -6.96182 31.448 25.8123 -41.0971 20.7402 -7.3182 TIMING: 1801400 CPU: 5680.09, 0.00316736/step Wall: 5680.09, 0.00316736/step, 2.8142 hours remaining, 239.835938 MB of memory in use. ENERGY: 1801400 3947.1040 20666.9604 14523.5907 247.9662 -203583.4701 2530.7566 0.0000 0.0000 52261.1498 -109405.9424 300.3455 -161667.0922 -109035.1317 299.5110 245.4461 272.9581 759480.0041 7.3146 7.2403 PRESSURE: 1801600 -274.789 55.0542 132.128 55.0539 -46.0706 -303.151 132.128 -303.152 -224.925 GPRESSURE: 1801600 -225.295 194.999 48.3616 31.5913 3.82018 -321.453 222.319 -248.302 -236.283 PRESSAVG: 1801600 -100.241 3.13663 -0.452921 3.13661 31.8549 -23.4235 -0.452818 -23.4236 -3.9782 GPRESSAVG: 1801600 -99.9194 5.85104 -0.273758 3.91401 31.3783 -23.4113 -0.416895 -22.9828 -3.56427 TIMING: 1801600 CPU: 5680.72, 0.00315252/step Wall: 5680.72, 0.00315252/step, 2.80084 hours remaining, 239.835938 MB of memory in use. ENERGY: 1801600 4025.0836 20544.8709 14483.1600 237.2534 -203395.8598 2528.0298 0.0000 0.0000 52179.0175 -109398.4447 299.8735 -161577.4621 -109029.9111 299.2069 -181.9279 -152.5856 761694.6744 -24.1215 -24.0351 PRESSURE: 1801800 47.8959 -249.784 -40.6903 -249.783 -367.857 150.723 -40.6896 150.724 -418.036 GPRESSURE: 1801800 47.8736 -228.94 -63.8805 -177.709 -285.367 245.296 50.8422 165.895 -414.06 PRESSAVG: 1801800 -12.8671 19.4865 -0.550609 19.4866 -10.704 -8.60606 -0.55064 -8.60607 -20.0831 GPRESSAVG: 1801800 -13.2106 18.259 -0.547115 18.6692 -8.54553 -10.4592 -0.0148883 -7.15698 -21.5276 TIMING: 1801800 CPU: 5681.36, 0.00316263/step Wall: 5681.36, 0.00316263/step, 2.80964 hours remaining, 239.835938 MB of memory in use. ENERGY: 1801800 3994.7787 20506.9974 14484.3192 245.1437 -203253.0013 2452.6082 0.0000 0.0000 52102.5820 -109466.5719 299.4343 -161569.1540 -109101.4081 299.4184 -245.9991 -217.1845 763501.0565 -14.5514 -14.4279 PRESSURE: 1802000 27.683 41.6114 -63.3793 41.6118 -608.057 -57.4388 -63.3793 -57.4378 -187.627 GPRESSURE: 1802000 69.2071 31.2134 -49.1107 26.7657 -554.649 -116.905 -128.608 -21.1221 -204.184 PRESSAVG: 1802000 -15.0887 25.0585 6.14584 25.0584 -23.3609 -16.7134 6.14585 -16.7134 2.74685 GPRESSAVG: 1802000 -15.0394 24.2959 5.93575 25.8122 -24.2895 -15.638 6.57585 -17.7887 3.64981 TIMING: 1802000 CPU: 5681.99, 0.00315766/step Wall: 5681.99, 0.00315766/step, 2.80505 hours remaining, 239.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1802000 4032.2066 20483.2167 14387.4731 257.4821 -203393.9122 2429.1201 0.0000 0.0000 52300.2823 -109504.1313 300.5704 -161804.4136 -109128.8307 299.2909 -256.0003 -229.8752 761714.6896 -11.9009 -11.8930 PRESSURE: 1802200 -104.899 -29.6133 -6.31276 -29.6134 48.0402 -19.4134 -6.31194 -19.4125 -89.1553 GPRESSURE: 1802200 -106.095 21.4496 -58.2778 -112.154 69.7929 -43.5693 65.6238 -32.4916 -41.6971 PRESSAVG: 1802200 30.3474 8.75808 13.6221 8.75806 -27.2605 -18.3754 13.622 -18.3754 2.71939 GPRESSAVG: 1802200 30.8137 10.1252 12.9221 8.41192 -27.4704 -17.6606 12.1635 -17.9375 2.74016 TIMING: 1802200 CPU: 5682.62, 0.00316014/step Wall: 5682.62, 0.00316014/step, 2.80708 hours remaining, 239.835938 MB of memory in use. ENERGY: 1802200 3966.8016 20617.2113 14422.8593 252.2201 -203539.1467 2641.5747 0.0000 0.0000 52311.6875 -109326.7923 300.6360 -161638.4797 -108971.5595 299.1723 -48.6715 -25.9996 762004.3520 1.9355 2.0278 PRESSURE: 1802400 87.5243 -104.227 209.773 -104.228 248.705 -13.2549 209.772 -13.2555 -166.937 GPRESSURE: 1802400 119.291 -140.352 165.225 -0.487749 260.836 -66.141 127.431 38.2799 -143.803 PRESSAVG: 1802400 -52.7429 -0.860247 0.949252 -0.860262 53.3932 22.9414 0.94926 22.9413 -7.37835 GPRESSAVG: 1802400 -51.9271 -3.08298 2.15958 -1.1653 52.1132 22.7398 0.083271 20.2952 -6.6668 TIMING: 1802400 CPU: 5683.25, 0.00317382/step Wall: 5683.25, 0.00317382/step, 2.81906 hours remaining, 239.835938 MB of memory in use. ENERGY: 1802400 3946.0463 20436.9821 14528.1490 241.5938 -203055.0100 2303.6841 0.0000 0.0000 52048.8590 -109549.6957 299.1255 -161598.5547 -109182.0386 299.2768 56.4307 78.7746 761623.6925 -2.2427 -2.1602 PRESSURE: 1802600 -221.075 183.161 178.683 183.161 -382.376 -118.001 178.682 -118.001 -313.3 GPRESSURE: 1802600 -208.207 164.084 304.678 248.972 -293.728 -112.344 246.799 -90.7098 -334.845 PRESSAVG: 1802600 4.67935 12.1538 22.0755 12.1538 -21.3386 35.6191 22.0755 35.6191 -10.0758 GPRESSAVG: 1802600 3.62535 13.7273 21.6212 12.9913 -19.799 35.9443 23.3446 38.6901 -10.668 TIMING: 1802600 CPU: 5683.89, 0.00318037/step Wall: 5683.89, 0.00318037/step, 2.8247 hours remaining, 239.835938 MB of memory in use. ENERGY: 1802600 4006.4842 20487.3138 14465.5089 241.1499 -203149.0136 2392.1706 0.0000 0.0000 52221.5096 -109334.8765 300.1177 -161556.3862 -108970.8471 299.1344 -305.5836 -278.9266 761559.9724 -8.9117 -8.9472 PRESSURE: 1802800 -104.752 113.546 129.452 113.546 -359.234 -243.859 129.451 -243.859 -297.607 GPRESSURE: 1802800 15.7025 201.096 111.671 89.6074 -354.117 -222.709 102.302 -127.521 -346.749 PRESSAVG: 1802800 -5.05499 16.3987 37.1001 16.3988 23.9207 -14.8928 37.1001 -14.8929 7.6665 GPRESSAVG: 1802800 -5.37053 16.0259 36.1677 15.741 23.835 -15.1874 35.3649 -14.5536 7.99109 TIMING: 1802800 CPU: 5684.53, 0.0031876/step Wall: 5684.53, 0.0031876/step, 2.83095 hours remaining, 239.835938 MB of memory in use. ENERGY: 1802800 4084.6815 20495.8588 14521.1071 240.5132 -203375.3773 2353.5669 0.0000 0.0000 52105.5116 -109574.1383 299.4511 -161679.6499 -109215.6265 299.3093 -253.8642 -228.3879 761824.1317 8.8441 8.8185 PRESSURE: 1803000 -245.223 -139.197 81.0961 -139.197 -203.811 -49.0327 81.0964 -49.0323 -17.8604 GPRESSURE: 1803000 -150.36 -136.709 31.7653 -127.17 -188.684 -120.562 193.67 1.41111 -44.4384 PRESSAVG: 1803000 15.667 -21.3801 13.5571 -21.3802 -0.444757 13.2838 13.557 13.2838 3.34735 GPRESSAVG: 1803000 17.0649 -21.6661 14.1184 -22.0392 -1.16921 13.7325 16.8268 10.7169 2.88367 TIMING: 1803000 CPU: 5685.17, 0.00323093/step Wall: 5685.17, 0.00323093/step, 2.86925 hours remaining, 239.835938 MB of memory in use. ENERGY: 1803000 4015.5564 20584.3300 14453.4189 251.7192 -203299.8595 2313.2012 0.0000 0.0000 52073.8074 -109607.8264 299.2689 -161681.6338 -109254.4079 299.1386 -155.6313 -127.8275 760692.7245 6.1899 6.2598 PRESSURE: 1803200 -78.8014 -132.124 52.81 -132.124 -120.397 30.6397 52.8093 30.6379 -212.203 GPRESSURE: 1803200 -85.2128 -111.207 -37.4917 -144.094 -89.5728 55.2879 57.6376 -68.9646 -157.581 PRESSAVG: 1803200 9.70255 0.358579 7.13688 0.358563 -23.2546 -25.5079 7.13693 -25.5079 -1.42923 GPRESSAVG: 1803200 7.85024 0.198808 6.76579 0.347306 -22.8728 -26.1976 6.21856 -25.754 0.110279 TIMING: 1803200 CPU: 5685.81, 0.00316251/step Wall: 5685.81, 0.00316252/step, 2.80831 hours remaining, 239.835938 MB of memory in use. ENERGY: 1803200 3983.4744 20710.5655 14480.6607 251.7560 -203840.8726 2560.0845 0.0000 0.0000 52071.4464 -109782.8853 299.2553 -161854.3317 -109417.1408 299.3982 -137.1336 -110.7888 760537.9813 -4.9938 -4.9708 PRESSURE: 1803400 322.671 35.1636 247.278 35.1638 14.6745 -316.301 247.278 -316.3 226.295 GPRESSURE: 1803400 326.379 12.7719 185.817 -61.1938 86.1546 -237.484 177.584 -402.041 252.477 PRESSAVG: 1803400 -4.25817 -49.8225 16.1299 -49.8225 19.9739 5.05253 16.13 5.05251 9.60919 GPRESSAVG: 1803400 -3.99342 -53.5206 16.8449 -47.6203 21.6401 6.76687 16.116 4.23008 7.7932 TIMING: 1803400 CPU: 5686.44, 0.00316002/step Wall: 5686.44, 0.00316001/step, 2.80592 hours remaining, 239.835938 MB of memory in use. ENERGY: 1803400 3894.5733 20573.9277 14508.3471 262.6321 -203557.0913 2647.2580 0.0000 0.0000 51978.7024 -109691.6508 298.7223 -161670.3532 -109333.1001 299.2654 187.8800 221.6700 761672.5410 8.4417 8.4800 PRESSURE: 1803600 130.839 -73.6458 -65.4862 -73.646 -145.776 103.833 -65.4871 103.833 98.6193 GPRESSURE: 1803600 99.9152 -7.00876 86.0288 25.5791 -6.95926 91.0276 -172.327 241.702 75.3624 PRESSAVG: 1803600 -32.8453 -0.0548933 27.7537 -0.0548984 2.46699 11.9643 27.7537 11.9643 -26.2205 GPRESSAVG: 1803600 -32.0062 2.49101 27.6486 -1.70638 1.36334 11.1954 26.8657 14.2809 -25.3706 TIMING: 1803600 CPU: 5687.07, 0.00317208/step Wall: 5687.07, 0.00317208/step, 2.81645 hours remaining, 239.835938 MB of memory in use. ENERGY: 1803600 3954.0774 20455.1637 14459.0600 237.3601 -203485.9078 2544.9641 0.0000 0.0000 52235.1286 -109600.1538 300.1960 -161835.2824 -109238.4660 298.8748 27.8940 56.1061 761484.3988 -18.8662 -18.6712 PRESSURE: 1803800 -247.356 145.326 11.1787 145.326 -172.346 68.2453 11.1787 68.2441 153.442 GPRESSURE: 1803800 -170.121 71.0182 -37.785 208.717 -133.781 55.3665 67.0753 -2.73414 124.366 PRESSAVG: 1803800 -23.3992 -47.2506 -7.55401 -47.2506 44.6593 9.78107 -7.554 9.78101 1.43254 GPRESSAVG: 1803800 -23.3464 -46.0775 -9.58409 -45.1211 44.5034 9.92196 -6.45511 10.338 1.7812 TIMING: 1803800 CPU: 5687.72, 0.00322095/step Wall: 5687.72, 0.00322095/step, 2.85967 hours remaining, 239.835938 MB of memory in use. ENERGY: 1803800 4007.1569 20451.9917 14430.3020 252.9008 -203178.0807 2282.6963 0.0000 0.0000 52334.5843 -109418.4487 300.7676 -161753.0330 -109050.0025 299.5191 -88.7534 -59.8454 761731.5138 7.5642 7.6461 PRESSURE: 1804000 259.651 -151.246 -30.1755 -151.246 161.179 41.3246 -30.1757 41.3256 -126.436 GPRESSURE: 1804000 329.505 -173.972 -29.9506 -82.2877 144.726 46.2918 -54.0842 -45.5739 -96.1873 PRESSAVG: 1804000 22.6691 -40.7804 -10.2945 -40.7804 10.6628 36.3484 -10.2945 36.3485 27.216 GPRESSAVG: 1804000 22.1286 -39.0304 -8.15821 -41.4917 12.0978 35.3712 -10.1124 34.7655 26.8384 TIMING: 1804000 CPU: 5688.36, 0.00320611/step Wall: 5688.36, 0.0032061/step, 2.84631 hours remaining, 239.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1804000 4029.7294 20442.4112 14468.9815 239.6315 -203478.0208 2604.9274 0.0000 0.0000 52056.2330 -109636.1068 299.1679 -161692.3397 -109264.7961 299.2573 98.1315 126.0146 761050.5272 20.1826 20.3550 PRESSURE: 1804200 83.3109 -211.878 -80.4798 -211.878 45.8678 206.15 -80.4801 206.148 -262.778 GPRESSURE: 1804200 90.9859 -147.868 -155.863 -234.182 57.2824 246.79 48.9907 186.661 -187.651 PRESSAVG: 1804200 33.1061 -7.64913 33.7725 -7.64914 5.30102 12.5084 33.7725 12.5085 -14.7141 GPRESSAVG: 1804200 32.6094 -7.28424 34.6054 -8.40258 5.41973 12.1632 33.1985 14.391 -13.663 TIMING: 1804200 CPU: 5688.99, 0.00317019/step Wall: 5688.99, 0.00317019/step, 2.81425 hours remaining, 239.835938 MB of memory in use. ENERGY: 1804200 3956.5210 20407.9772 14440.5748 256.1394 -203467.9729 2628.3907 0.0000 0.0000 51976.3363 -109802.0335 298.7087 -161778.3698 -109436.4867 298.4929 -44.5332 -13.1275 761630.1855 7.8977 8.1220 LDB: ============= START OF LOAD BALANCING ============== 5701.4 LDB: ============== END OF LOAD BALANCING =============== 5701.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5701.4 LDB: ============= START OF LOAD BALANCING ============== 5701.72 LDB: Largest compute 7034 load 0.034743 is 17.7% of average load 0.195812 LDB: Average compute 0.004400 is 2.2% of average load 0.195812 LDB: TIME 5701.72 LOAD: AVG 0.195812 MAX 0.218014 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 5701.72 LOAD: AVG 0.195812 MAX 0.218014 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: TIME 5701.72 LOAD: AVG 0.195812 MAX 0.218014 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: ============== END OF LOAD BALANCING =============== 5701.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5701.73 PRESSURE: 1804400 -15.5021 68.9055 -103.81 68.9055 -35.3798 263.869 -103.81 263.87 -28.0722 GPRESSURE: 1804400 135.598 -51.866 -156.314 63.6686 -124.178 244.249 -36.4764 236.889 -8.30347 PRESSAVG: 1804400 53.0947 -27.9347 -1.64329 -27.9347 -18.4616 -33.0006 -1.64325 -33.0006 0.972678 GPRESSAVG: 1804400 55.2397 -30.133 -3.92387 -26.4689 -20.9103 -33.0435 -1.64634 -34.5899 0.954791 TIMING: 1804400 CPU: 5689.65, 0.00326927/step Wall: 5689.65, 0.00326927/step, 2.90202 hours remaining, 238.609375 MB of memory in use. ENERGY: 1804400 4129.4925 20595.9920 14430.5149 259.1502 -203958.6797 2837.9044 0.0000 0.0000 52144.2525 -109561.3732 299.6737 -161705.6258 -109208.5090 299.1548 -26.3180 1.0389 761025.7211 11.8686 11.7614 PRESSURE: 1804600 -155.919 73.3426 45.4961 73.3425 -359.94 178.782 45.4966 178.783 5.45604 GPRESSURE: 1804600 -189.33 121.602 9.92688 -11.2856 -220.368 220.039 126.781 193.777 -10.7272 PRESSAVG: 1804600 -4.6414 -13.1836 20.9193 -13.1836 24.0097 1.92005 20.9194 1.91998 16.7185 GPRESSAVG: 1804600 -5.14949 -13.4553 22.5831 -12.744 25.9803 2.50414 22.3061 0.714132 15.1765 TIMING: 1804600 CPU: 5690.29, 0.00321937/step Wall: 5690.29, 0.00321937/step, 2.85755 hours remaining, 238.609375 MB of memory in use. ENERGY: 1804600 3902.7586 20489.0246 14468.5472 230.1873 -203226.7866 2334.2878 0.0000 0.0000 52165.0121 -109636.9692 299.7930 -161801.9813 -109274.3760 299.4402 -170.1343 -140.1417 761834.9768 12.0289 12.0024 PRESSURE: 1804800 189.117 34.0552 -35.5359 34.0554 125.844 -103.991 -35.5365 -103.99 -188.71 GPRESSURE: 1804800 239.307 -82.3701 -85.0068 62.0599 123.679 -164.163 -76.5357 -43.3638 -132.283 PRESSAVG: 1804800 -31.1303 -44.8368 -24.5345 -44.8367 29.2633 32.2777 -24.5345 32.2778 -29.3065 GPRESSAVG: 1804800 -31.265 -43.5171 -25.5281 -45.9877 28.3412 33.0564 -24.3882 35.1676 -28.6955 TIMING: 1804800 CPU: 5690.93, 0.00318453/step Wall: 5690.93, 0.00318453/step, 2.82645 hours remaining, 238.609375 MB of memory in use. ENERGY: 1804800 3939.8103 20677.8636 14557.2375 237.2874 -203532.0898 2720.5101 0.0000 0.0000 51964.4242 -109434.9568 298.6403 -161399.3810 -109087.4035 299.1552 42.0836 76.9010 763730.4478 -10.3911 -10.5398 PRESSURE: 1805000 -6.95117 112.672 26.8594 112.672 -253.558 248.367 26.8602 248.366 139.184 GPRESSURE: 1805000 26.7807 127.989 92.0125 185.215 -241.656 188.428 47.0828 203.468 196.472 PRESSAVG: 1805000 33.3739 28.561 -10.6547 28.5611 -43.5211 -37.0566 -10.6548 -37.0567 0.244846 GPRESSAVG: 1805000 32.9471 29.296 -11.1733 27.8853 -43.8682 -38.1815 -12.3352 -37.7105 1.56714 TIMING: 1805000 CPU: 5691.56, 0.00317041/step Wall: 5691.56, 0.00317041/step, 2.81374 hours remaining, 238.609375 MB of memory in use. ENERGY: 1805000 4013.1119 20656.3240 14585.4806 240.0383 -203505.4537 2633.2353 0.0000 0.0000 52046.5898 -109330.6737 299.1125 -161377.2635 -108966.7932 299.3802 -40.4418 -6.1345 763908.6669 -3.3008 -3.1180 PRESSURE: 1805200 -127.506 113.171 -89.642 113.171 -111.237 122.568 -89.6421 122.569 -127.941 GPRESSURE: 1805200 -69.0332 -14.7237 -43.8976 87.3297 -107.949 206.089 -27.6759 206.065 -85.5549 PRESSAVG: 1805200 -1.45229 8.96843 1.82222 8.9684 1.32289 37.7779 1.82218 37.7779 -1.91649 GPRESSAVG: 1805200 -1.8775 6.25029 2.27982 8.05904 3.42391 38.634 0.411692 37.1054 -3.56325 TIMING: 1805200 CPU: 5692.2, 0.00318303/step Wall: 5692.2, 0.00318303/step, 2.82476 hours remaining, 238.609375 MB of memory in use. ENERGY: 1805200 3963.7127 20529.5073 14449.6493 235.4416 -203158.4942 2485.7153 0.0000 0.0000 52108.7025 -109385.7655 299.4694 -161494.4680 -109009.7523 299.3931 -122.2279 -87.5123 763744.0967 -0.6820 -0.6723 PRESSURE: 1805400 50.7954 0.308984 31.4604 0.308913 348.22 219.684 31.4597 219.684 253.11 GPRESSURE: 1805400 128.078 -0.138778 -57.2645 123.384 322.116 277.846 32.0258 336.721 271.867 PRESSAVG: 1805400 -34.6777 69.3944 -52.2505 69.3944 51.5991 39.6104 -52.2505 39.6103 3.16937 GPRESSAVG: 1805400 -33.334 69.6498 -51.1066 70.2261 50.5003 39.8717 -49.0366 38.7556 3.39425 TIMING: 1805400 CPU: 5692.83, 0.00314733/step Wall: 5692.83, 0.00314733/step, 2.7929 hours remaining, 238.609375 MB of memory in use. ENERGY: 1805400 3961.9962 20604.9473 14520.7926 256.5977 -203511.9839 2716.0067 0.0000 0.0000 52228.4611 -109223.1824 300.1577 -161451.6434 -108860.4767 299.3478 217.3750 240.6870 761357.5319 6.6969 6.8535 PRESSURE: 1805600 -365.099 -70.9254 -159.369 -70.9248 -62.2424 26.651 -159.369 26.6504 191.269 GPRESSURE: 1805600 -344.371 51.1203 -46.9553 -67.636 70.436 -49.4891 -185.211 -63.8729 139.54 PRESSAVG: 1805600 6.43609 46.2539 -37.1596 46.2539 -1.63821 7.25245 -37.1597 7.2524 -7.91897 GPRESSAVG: 1805600 7.13207 46.1115 -36.7902 47.7378 -1.87297 6.52394 -38.1268 8.55304 -8.04671 TIMING: 1805600 CPU: 5693.46, 0.00316037/step Wall: 5693.46, 0.00316037/step, 2.8043 hours remaining, 238.609375 MB of memory in use. ENERGY: 1805600 4032.0270 20444.5607 14473.2598 231.9633 -203552.7498 2672.1263 0.0000 0.0000 52362.6345 -109336.1782 300.9288 -161698.8127 -108969.8931 299.5676 -78.6907 -44.7986 762338.6044 -1.0404 -0.9292 PRESSURE: 1805800 -178.201 -130.36 18.9963 -130.36 -233.639 -2.90521 18.9958 -2.90503 481.62 GPRESSURE: 1805800 -179.946 -212.701 18.2848 -143.979 -135.695 -60.0374 -109.939 40.8362 473.148 PRESSAVG: 1805800 -12.7526 17.2904 26.2214 17.2904 49.5901 1.79373 26.2214 1.79376 -16.5708 GPRESSAVG: 1805800 -13.4784 17.5824 25.012 16.7549 50.9838 2.13056 23.5095 1.17475 -16.62 TIMING: 1805800 CPU: 5694.09, 0.00316877/step Wall: 5694.09, 0.00316877/step, 2.81158 hours remaining, 238.609375 MB of memory in use. ENERGY: 1805800 3993.5554 20634.0550 14396.8579 249.7965 -203104.9120 2453.2948 0.0000 0.0000 52158.2122 -109219.1403 299.7540 -161377.3524 -108854.5020 299.5269 23.2603 52.5022 759839.6293 6.7556 6.9618 PRESSURE: 1806000 -509.957 222.21 -99.8767 222.21 -227.262 101.89 -99.8763 101.89 -341.103 GPRESSURE: 1806000 -491.711 286.004 -38.1458 189.384 -148.082 60.5598 -66.4032 38.918 -349.622 PRESSAVG: 1806000 -92.0374 6.1293 -6.63697 6.12929 76.38 29.9398 -6.63706 29.9397 21.0348 GPRESSAVG: 1806000 -92.4908 5.25523 -8.48977 7.06793 75.9441 29.1233 -3.50488 31.0389 21.3359 TIMING: 1806000 CPU: 5694.73, 0.00316708/step Wall: 5694.73, 0.00316708/step, 2.8099 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1806000 4047.6825 20521.8619 14486.6659 256.0582 -203142.5573 2379.1084 0.0000 0.0000 52118.1500 -109333.0303 299.5237 -161451.1803 -108965.9537 299.8874 -359.4409 -329.8052 761606.6654 1.7924 1.5964 PRESSURE: 1806200 -102.657 -76.0314 -88.7151 -76.0321 -71.5954 -37.2755 -88.7148 -37.2746 217.685 GPRESSURE: 1806200 -116.537 -128.579 58.0989 -89.0375 8.25185 18.048 -124.337 -60.8153 254.407 PRESSAVG: 1806200 5.51738 -15.7925 -31.4501 -15.7925 1.54261 5.69142 -31.4501 5.69153 -19.8219 GPRESSAVG: 1806200 5.83373 -13.7808 -29.1522 -17.7356 0.797565 5.6882 -31.982 5.95916 -20.1465 TIMING: 1806200 CPU: 5695.36, 0.00315307/step Wall: 5695.36, 0.00315307/step, 2.7973 hours remaining, 238.609375 MB of memory in use. ENERGY: 1806200 3949.3170 20514.7065 14467.2016 222.1499 -203490.2402 2601.9229 0.0000 0.0000 52431.4136 -109303.5287 301.3241 -161734.9424 -108944.4387 299.9792 14.4775 48.7071 759823.3817 -4.2540 -4.5051 PRESSURE: 1806400 2.27823 5.31189 242.829 5.31265 378.562 49.034 242.829 49.0332 174.206 GPRESSURE: 1806400 15.4303 123.064 164.924 -82.3087 388.605 141.032 284.866 94.9337 253.544 PRESSAVG: 1806400 24.6646 -21.546 19.3686 -21.546 14.6945 26.0897 19.3686 26.0896 10.2262 GPRESSAVG: 1806400 23.7549 -21.5743 19.7859 -21.8834 15.1072 26.5384 19.0628 25.0576 10.7751 TIMING: 1806400 CPU: 5695.99, 0.00314307/step Wall: 5695.99, 0.00314307/step, 2.78826 hours remaining, 238.609375 MB of memory in use. ENERGY: 1806400 3898.4875 20415.3199 14491.4670 270.7275 -203515.5892 2934.4835 0.0000 0.0000 52199.3143 -109305.7895 299.9902 -161505.1038 -108938.5226 299.4624 185.0154 219.1929 760111.0605 16.5284 16.5457 PRESSURE: 1806600 384.001 3.82911 196.569 3.82922 190.357 226.963 196.568 226.964 -24.0233 GPRESSURE: 1806600 406.918 -2.21829 154.378 19.449 219.66 173.859 103.976 361.019 7.16205 PRESSAVG: 1806600 -10.0837 -65.0282 73.5557 -65.0282 21.2309 23.1095 73.5557 23.1095 33.215 GPRESSAVG: 1806600 -9.78975 -66.7865 71.3963 -63.9274 21.4015 23.4677 75.0292 20.8386 33.1041 TIMING: 1806600 CPU: 5696.62, 0.00314814/step Wall: 5696.62, 0.00314814/step, 2.79257 hours remaining, 238.609375 MB of memory in use. ENERGY: 1806600 3987.5826 20413.4675 14488.7567 247.7277 -203261.5847 2663.2952 0.0000 0.0000 52140.2627 -109320.4923 299.6508 -161460.7550 -108965.0888 299.2218 183.4448 211.2467 759667.4714 14.7874 14.9053 PRESSURE: 1806800 215.347 -90.2901 -8.33495 -90.2901 -274.449 104.051 -8.33485 104.052 1.78771 GPRESSURE: 1806800 278.137 -64.5482 -70.7864 -62.3602 -277.956 59.2101 -57.045 106.771 46.9377 PRESSAVG: 1806800 40.3733 -33.7656 -48.5312 -33.7655 -22.1001 22.5556 -48.5312 22.5556 7.30336 GPRESSAVG: 1806800 42.4246 -32.3059 -47.6016 -33.845 -23.395 22.1808 -48.6126 22.6992 6.00755 TIMING: 1806800 CPU: 5697.25, 0.00316317/step Wall: 5697.25, 0.00316317/step, 2.80573 hours remaining, 238.609375 MB of memory in use. ENERGY: 1806800 3898.9283 20651.1965 14528.7960 230.4508 -202958.5630 2233.1697 0.0000 0.0000 52173.7771 -109242.2446 299.8434 -161416.0217 -108878.0745 299.6441 -19.1048 15.7063 759038.2026 8.5255 8.3457 PRESSURE: 1807000 -75.1452 143.343 -65.22 143.342 -96.3903 117.377 -65.2201 117.376 -25.7813 GPRESSURE: 1807000 -10.9043 118.693 22.8985 148.087 -95.3379 157.071 1.79745 -36.9389 12.442 PRESSAVG: 1807000 17.2425 30.5856 3.25983 30.5857 -73.1453 -0.530548 3.25977 -0.530598 -12.0601 GPRESSAVG: 1807000 15.8954 28.9976 3.80923 29.6861 -72.976 0.105421 2.74613 -0.140686 -10.9955 TIMING: 1807000 CPU: 5697.88, 0.00317531/step Wall: 5697.88, 0.00317531/step, 2.81632 hours remaining, 238.609375 MB of memory in use. ENERGY: 1807000 4064.9397 20677.8443 14389.7485 274.5233 -202778.6977 2133.7372 0.0000 0.0000 52076.8074 -109161.0973 299.2861 -161237.9047 -108807.4018 299.8929 -65.7723 -31.2667 758038.8471 -22.6543 -22.6921 PRESSURE: 1807200 -286.557 56.3991 -70.805 56.3993 -155.368 -27.289 -70.8045 -27.288 -40.2669 GPRESSURE: 1807200 -214.726 203.541 -182.512 107.95 -192.261 -21.2368 -15.6864 179.193 35.7911 PRESSAVG: 1807200 -13.9359 -22.045 -28.5855 -22.045 21.6734 8.65629 -28.5856 8.65637 -9.44742 GPRESSAVG: 1807200 -13.6808 -18.77 -29.5956 -21.2415 20.9843 7.35995 -29.4003 11.0425 -8.81073 TIMING: 1807200 CPU: 5698.52, 0.00317029/step Wall: 5698.52, 0.00317029/step, 2.81169 hours remaining, 238.609375 MB of memory in use. ENERGY: 1807200 3900.7215 20726.3826 14521.1887 250.0395 -202851.2483 2316.0360 0.0000 0.0000 52068.7239 -109068.1561 299.2397 -161136.8800 -108701.1488 300.1725 -160.7307 -123.7319 758950.4676 -0.5700 -0.5024 PRESSURE: 1807400 56.2968 -111.44 88.4615 -111.439 -116.808 118.382 88.4617 118.382 317.334 GPRESSURE: 1807400 0.729467 -161.065 176.245 -136.339 17.7956 110.931 132.783 139.467 311.045 PRESSAVG: 1807400 -4.17976 -3.39808 -15.4844 -3.39804 49.508 33.6041 -15.4845 33.6042 7.77349 GPRESSAVG: 1807400 -4.31664 -4.03738 -14.1952 -3.17187 49.8982 35.442 -14.4917 32.4461 7.59495 TIMING: 1807400 CPU: 5699.16, 0.00320954/step Wall: 5699.16, 0.00320954/step, 2.84633 hours remaining, 238.609375 MB of memory in use. ENERGY: 1807400 4011.7937 20694.0821 14389.6892 261.0395 -202859.4269 2193.4330 0.0000 0.0000 52361.7497 -108947.6397 300.9237 -161309.3893 -108578.7865 300.9524 85.6075 109.8567 761297.4181 17.7006 17.7255 PRESSURE: 1807600 -205.045 168.853 214.826 168.853 29.6404 206.675 214.827 206.676 125.801 GPRESSURE: 1807600 -247.504 148.474 150.028 146.311 183.304 195.615 126.397 113.203 99.7628 PRESSAVG: 1807600 -48.3196 13.3842 22.3798 13.3842 25.7348 -24.9028 22.3799 -24.9028 16.2004 GPRESSAVG: 1807600 -49.5249 13.4341 21.4029 13.2037 27.3967 -28.5572 20.9382 -24.0815 15.404 TIMING: 1807600 CPU: 5699.8, 0.00319502/step Wall: 5699.8, 0.00319502/step, 2.83327 hours remaining, 238.609375 MB of memory in use. ENERGY: 1807600 4104.7289 20599.0251 14536.9351 277.0227 -203523.3671 2686.7377 0.0000 0.0000 52270.6276 -109048.2901 300.4000 -161318.9177 -108684.3224 300.1008 -16.5345 11.8543 757826.2341 -2.1281 -2.2414 PRESSURE: 1807800 253.044 -130.113 48.7479 -130.112 121.574 -135.86 48.7478 -135.859 494.716 GPRESSURE: 1807800 221.676 -138.135 114.598 -61.09 226.563 -74.4246 6.34505 -3.19077 491.671 PRESSAVG: 1807800 13.8002 -2.26148 -6.90844 -2.26154 7.91278 0.43944 -6.90846 0.439438 6.76727 GPRESSAVG: 1807800 14.5649 -4.29788 -6.41272 -0.703154 8.17207 1.67923 -6.10675 -0.98549 6.29308 TIMING: 1807800 CPU: 5700.44, 0.00319717/step Wall: 5700.44, 0.00319717/step, 2.835 hours remaining, 238.609375 MB of memory in use. ENERGY: 1807800 3956.6466 20771.3483 14604.9026 268.2306 -203549.0659 2609.8801 0.0000 0.0000 52237.9046 -109100.1531 300.2120 -161338.0578 -108743.2295 300.4879 289.7782 313.3031 758967.8431 9.4934 9.6767 PRESSURE: 1808000 73.8177 21.0868 115.8 21.0869 -456.936 108.318 115.8 108.318 88.1005 GPRESSURE: 1808000 64.6405 -11.6487 140.694 59.3881 -374.881 9.68294 133.82 6.32872 94.2267 PRESSAVG: 1808000 0.839405 -64.3336 -14.4783 -64.3336 -42.0254 -14.3948 -14.4783 -14.3949 11.6333 GPRESSAVG: 1808000 1.25538 -64.0062 -14.2632 -66.4609 -42.5402 -15.6039 -13.5712 -13.8635 11.5757 TIMING: 1808000 CPU: 5701.08, 0.00319002/step Wall: 5701.08, 0.00319002/step, 2.82848 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1808000 3943.1552 20676.3153 14511.4941 247.7662 -203535.1687 2507.8711 0.0000 0.0000 52416.6028 -109231.9641 301.2389 -161648.5669 -108874.3685 300.4932 -98.3393 -72.0046 759247.3642 -9.8509 -9.9030 PRESSURE: 1808200 235.703 91.9213 -181.288 91.9211 92.6382 95.7421 -181.287 95.7417 84.8354 GPRESSURE: 1808200 278.315 126.554 -130.776 86.9782 131.224 146.14 -138.778 -37.4948 100.882 PRESSAVG: 1808200 -49.5289 -36.8625 -3.51415 -36.8624 37.3765 -36.3775 -3.51415 -36.3774 10.6302 GPRESSAVG: 1808200 -50.0282 -36.2355 -4.39195 -35.8997 37.4452 -34.2004 -4.28271 -38.8668 11.5744 TIMING: 1808200 CPU: 5701.72, 0.00323134/step Wall: 5701.72, 0.00323134/step, 2.86494 hours remaining, 238.609375 MB of memory in use. ENERGY: 1808200 3927.7794 20559.7173 14521.6117 280.8999 -203224.0617 2523.4718 0.0000 0.0000 52227.5595 -109183.0221 300.1525 -161410.5816 -108821.2914 300.3185 137.7254 170.1401 760137.0933 -0.5074 -0.3362 LDB: ============= START OF LOAD BALANCING ============== 5714.12 LDB: ============== END OF LOAD BALANCING =============== 5714.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5714.13 LDB: ============= START OF LOAD BALANCING ============== 5714.44 LDB: Largest compute 7034 load 0.036874 is 18.8% of average load 0.195869 LDB: Average compute 0.004395 is 2.2% of average load 0.195869 LDB: TIME 5714.45 LOAD: AVG 0.195869 MAX 0.2181 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 5714.45 LOAD: AVG 0.195869 MAX 0.2181 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 5714.45 LOAD: AVG 0.195869 MAX 0.2181 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5714.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5714.45 PRESSURE: 1808400 32.0176 157.978 -12.464 157.978 168.897 -42.7375 -12.4641 -42.7382 41.4947 GPRESSURE: 1808400 101.095 24.2665 -15.5367 33.4654 231.624 -38.8614 107.935 -17.1763 10.1992 PRESSAVG: 1808400 -26.0018 -8.51384 4.01908 -8.51385 30.5383 -88.3589 4.01909 -88.3589 7.31141 GPRESSAVG: 1808400 -26.0183 -10.8422 4.14678 -7.59527 30.6468 -90.2118 5.95478 -85.1347 7.32293 TIMING: 1808400 CPU: 5702.37, 0.00324872/step Wall: 5702.37, 0.00324872/step, 2.88017 hours remaining, 239.121094 MB of memory in use. ENERGY: 1808400 3903.6512 20614.5649 14510.5356 257.9655 -202846.3835 2191.2464 0.0000 0.0000 52204.1083 -109164.3117 300.0177 -161368.4200 -108813.8633 300.3121 80.8030 114.3060 760770.6986 3.9493 3.9838 PRESSURE: 1808600 -82.579 -72.7051 169.632 -72.7051 73.6967 -21.0257 169.631 -21.0261 -428.595 GPRESSURE: 1808600 -108.048 51.1806 165.506 -259.914 102.568 41.9301 88.9654 23.2815 -343.787 PRESSAVG: 1808600 -10.1332 35.0307 -11.1405 35.0307 13.9937 -37.0393 -11.1405 -37.0394 34.0571 GPRESSAVG: 1808600 -10.0921 37.9724 -11.7001 33.0218 13.1639 -35.7069 -12.3049 -37.3738 34.9035 TIMING: 1808600 CPU: 5703.01, 0.00317511/step Wall: 5703.01, 0.00317511/step, 2.81473 hours remaining, 239.187500 MB of memory in use. ENERGY: 1808600 4009.3257 20681.0982 14475.3361 260.8011 -203035.0708 2436.3511 0.0000 0.0000 52037.2860 -109134.8726 299.0590 -161172.1586 -108775.2211 299.7579 -145.8259 -116.4225 762815.9921 12.6392 12.6584 PRESSURE: 1808800 89.5801 118.258 55.8915 118.258 -209.629 -86.3107 55.8906 -86.3107 103.445 GPRESSURE: 1808800 102.219 107.79 56.9992 104.587 -190.943 -146.228 92.4918 -44.9576 180.534 PRESSAVG: 1808800 3.05328 -17.2203 -3.03815 -17.2203 -53.7142 27.527 -3.03817 27.5271 -10.8655 GPRESSAVG: 1808800 3.77424 -19.9114 -1.58425 -15.7129 -54.0701 26.8466 -5.16445 27.5438 -10.9349 TIMING: 1808800 CPU: 5703.64, 0.00318293/step Wall: 5703.64, 0.00318293/step, 2.82149 hours remaining, 239.187500 MB of memory in use. ENERGY: 1808800 4016.2183 20537.9784 14461.8026 249.4476 -202950.9247 2457.4400 0.0000 0.0000 52109.6403 -109118.3974 299.4748 -161228.0377 -108752.0837 299.6239 -5.5347 30.6032 761425.7130 -20.5088 -20.4103 PRESSURE: 1809000 39.8568 -4.67323 -314.343 -4.6736 -15.273 -297.634 -314.344 -297.634 342.183 GPRESSURE: 1809000 185.931 60.5428 -276.961 27.3701 -124.816 -242.931 -272.3 -164.422 390.181 PRESSAVG: 1809000 57.9211 -19.6952 -3.99249 -19.6952 14.1245 7.33512 -3.9925 7.33504 -5.49401 GPRESSAVG: 1809000 57.4092 -18.1664 -4.12973 -19.2031 14.3408 8.79182 -3.09977 6.17529 -5.23909 TIMING: 1809000 CPU: 5704.27, 0.00315725/step Wall: 5704.27, 0.00315725/step, 2.79856 hours remaining, 239.187500 MB of memory in use. ENERGY: 1809000 4018.6710 20561.7903 14528.4335 241.0278 -203293.0014 2601.3372 0.0000 0.0000 52190.9708 -109150.7709 299.9422 -161341.7416 -108785.9910 299.9866 122.2556 150.4318 760315.8142 22.1839 22.1703 PRESSURE: 1809200 12.9905 74.5662 7.50539 74.5666 -123.67 11.2925 7.50459 11.2932 7.36131 GPRESSURE: 1809200 -6.87626 94.1451 79.8988 17.2316 -78.0588 76.352 -59.2301 65.9761 68.8209 PRESSAVG: 1809200 2.80778 4.73405 0.305185 4.734 -26.5897 -50.3253 0.305207 -50.3252 6.03764 GPRESSAVG: 1809200 3.06147 6.05525 0.901031 3.22297 -25.3894 -51.0268 0.385889 -49.8138 4.44728 TIMING: 1809200 CPU: 5704.91, 0.00317103/step Wall: 5704.91, 0.00317103/step, 2.81059 hours remaining, 239.187500 MB of memory in use. ENERGY: 1809200 3942.3515 20541.3049 14494.3560 234.8769 -202815.9437 2226.3763 0.0000 0.0000 52253.0494 -109123.6287 300.2990 -161376.6781 -108761.6872 299.7813 -34.4394 -5.3714 760880.7870 -5.9148 -5.9602 PRESSURE: 1809400 16.1184 -31.2424 126.909 -31.2436 -44.2658 7.49827 126.91 7.49712 -83.4989 GPRESSURE: 1809400 44.1162 -191.884 56.2998 -33.6606 53.9186 37.7445 65.656 75.0642 -106.255 PRESSAVG: 1809400 49.2801 -25.6518 8.06609 -25.6518 -45.8801 6.39724 8.0662 6.39716 0.50382 GPRESSAVG: 1809400 49.2855 -29.4153 7.21744 -25.0905 -45.7958 5.72115 7.13755 9.82666 0.665636 TIMING: 1809400 CPU: 5705.55, 0.00319016/step Wall: 5705.55, 0.00319016/step, 2.82737 hours remaining, 239.187500 MB of memory in use. ENERGY: 1809400 4033.3671 20364.5080 14501.0778 239.6902 -202584.7762 2099.8234 0.0000 0.0000 51968.8398 -109377.4698 298.6656 -161346.3096 -109012.4108 299.5358 -37.2154 -2.7402 760676.1566 1.3013 1.3851 PRESSURE: 1809600 -280.448 -68.4209 94.0723 -68.4205 -175.942 -227.753 94.0725 -227.754 147.628 GPRESSURE: 1809600 -204.131 -24.7613 106.328 112.627 -167.699 -193.23 163.684 -284.345 144.383 PRESSAVG: 1809600 10.6518 -6.04463 -3.93105 -6.04462 -31.983 -5.66839 -3.93108 -5.66834 -19.706 GPRESSAVG: 1809600 10.3922 -4.89631 -3.5179 -5.74064 -31.8504 -6.63761 -2.64867 -8.12878 -19.6133 TIMING: 1809600 CPU: 5706.18, 0.00317859/step Wall: 5706.18, 0.00317859/step, 2.81693 hours remaining, 239.187500 MB of memory in use. ENERGY: 1809600 3953.0929 20554.3123 14403.8714 240.4395 -202832.1222 2254.7078 0.0000 0.0000 51948.1513 -109477.5470 298.5467 -161425.6982 -109127.4720 299.5300 -102.9208 -75.8155 759498.2181 -13.6790 -13.6905 PRESSURE: 1809800 -89.8842 -132.073 61.2678 -132.074 1.82888 -52.5293 61.2675 -52.53 -329.642 GPRESSURE: 1809800 -55.1005 -23.3331 147.207 -133.211 102.742 59.2372 -67.5268 -52.7052 -387.273 PRESSAVG: 1809800 19.4775 0.934009 3.58332 0.933961 8.67649 -34.5953 3.58336 -34.5953 -9.33886 GPRESSAVG: 1809800 18.6487 1.22027 3.29269 0.848656 8.25363 -32.5873 3.53605 -34.9209 -8.91783 TIMING: 1809800 CPU: 5706.82, 0.00317055/step Wall: 5706.82, 0.00317055/step, 2.80964 hours remaining, 239.187500 MB of memory in use. ENERGY: 1809800 4035.6581 20439.0536 14409.8721 232.2270 -203223.3112 2336.3169 0.0000 0.0000 52250.3435 -109519.8401 300.2834 -161770.1836 -109165.9262 299.2415 -139.2325 -113.2106 759780.4032 6.2717 5.9948 PRESSURE: 1810000 -132.532 -132.23 -110.036 -132.23 -229.732 193.561 -110.037 193.56 402 GPRESSURE: 1810000 -49.4582 -162.995 -110.865 28.7225 -188.101 153.586 -28.5742 202.108 346.062 PRESSAVG: 1810000 0.581313 -22.9734 19.2703 -22.9734 4.79066 -6.14314 19.2703 -6.14312 22.2207 GPRESSAVG: 1810000 1.27521 -22.9249 20.8034 -23.5894 4.5541 -7.11783 19.0703 -5.57171 21.5417 TIMING: 1810000 CPU: 5707.45, 0.00318689/step Wall: 5707.45, 0.00318688/step, 2.82393 hours remaining, 239.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1810000 3956.7406 20532.6413 14446.8313 240.0007 -203139.3133 2423.2191 0.0000 0.0000 52094.5815 -109445.2988 299.3883 -161539.8803 -109095.2711 299.3518 13.2453 36.1676 759554.1807 9.1976 9.1237 PRESSURE: 1810200 136.319 -19.8544 -32.1411 -19.8542 461.108 -58.1207 -32.141 -58.1207 662.229 GPRESSURE: 1810200 277.452 119.728 62.2988 72.8076 485.904 -45.7672 -36.1028 -194.844 592.54 PRESSAVG: 1810200 1.1793 -26.8988 -23.8306 -26.8988 13.6583 -7.87323 -23.8306 -7.87323 3.20385 GPRESSAVG: 1810200 1.19491 -25.8323 -24.468 -26.2572 13.6727 -7.28375 -22.4751 -6.85584 3.39062 TIMING: 1810200 CPU: 5708.09, 0.00317281/step Wall: 5708.09, 0.00317281/step, 2.81128 hours remaining, 239.187500 MB of memory in use. ENERGY: 1810200 4025.5852 20515.6407 14433.8210 259.5356 -203125.0562 2480.6666 0.0000 0.0000 52309.2944 -109100.5128 300.6222 -161409.8071 -108738.8826 299.4191 419.8854 451.9654 759577.2676 6.0138 6.0861 PRESSURE: 1810400 181.88 59.7639 47.4121 59.764 -87.3736 93.3026 47.4124 93.3023 -81.159 GPRESSURE: 1810400 219.978 16.422 68.476 106.159 -47.4212 58.46 89.9216 214.806 -75.2529 PRESSAVG: 1810400 2.94186 -33.6382 -2.3156 -33.6382 0.242886 -2.54981 -2.31562 -2.54971 -11.3214 GPRESSAVG: 1810400 2.8343 -34.7734 -2.20448 -33.3619 -0.387292 -4.02159 -1.72479 -4.45789 -10.8588 TIMING: 1810400 CPU: 5708.72, 0.00317514/step Wall: 5708.72, 0.00317514/step, 2.81317 hours remaining, 239.187500 MB of memory in use. ENERGY: 1810400 4086.8300 20536.6416 14467.3533 245.7915 -202836.9473 2220.3031 0.0000 0.0000 52231.4233 -109048.6045 300.1747 -161280.0278 -108697.7658 300.4262 4.4491 32.4346 760490.3369 -2.7122 -2.8039 PRESSURE: 1810600 103.389 -83.9275 -182.332 -83.9272 1.78256 -145.162 -182.334 -145.161 27.1648 GPRESSURE: 1810600 111.053 -173.551 -240.145 -112.37 38.582 -107.238 -64.5613 -11.6189 68.8433 PRESSAVG: 1810600 -2.18805 -3.54928 -6.7809 -3.54928 -26.4884 -15.3251 -6.78101 -15.3249 15.4042 GPRESSAVG: 1810600 -1.10334 -5.17389 -6.85685 -4.55182 -26.8822 -13.1963 -7.10736 -16.0949 14.954 TIMING: 1810600 CPU: 5709.36, 0.0031945/step Wall: 5709.36, 0.0031945/step, 2.83015 hours remaining, 239.187500 MB of memory in use. ENERGY: 1810600 4035.3335 20685.6915 14476.4887 233.7561 -203258.1580 2527.6839 0.0000 0.0000 52384.8233 -108914.3810 301.0563 -161299.2044 -108554.9852 300.3658 44.1121 72.8260 760366.1719 -4.4241 -4.3439 PRESSURE: 1810800 -31.3687 -179.266 -361.005 -179.266 -8.6067 12.8699 -361.006 12.8703 -53.5866 GPRESSURE: 1810800 11.6739 -140.362 -384.263 -267.165 -52.3871 84.6928 -272.627 78.2681 42.7184 PRESSAVG: 1810800 7.76744 -17.7978 -21.9296 -17.7978 24.5462 34.265 -21.9297 34.2649 -4.81252 GPRESSAVG: 1810800 6.29316 -15.5413 -21.1204 -17.6392 25.6721 33.6015 -25.1257 35.4033 -4.51551 TIMING: 1810800 CPU: 5710, 0.00316739/step Wall: 5710, 0.00316739/step, 2.80595 hours remaining, 239.187500 MB of memory in use. ENERGY: 1810800 4021.5018 20594.7540 14513.5255 251.5322 -202989.4610 2473.3009 0.0000 0.0000 52138.6243 -108996.2223 299.6414 -161134.8466 -108633.7430 300.2737 -31.1873 0.6684 761288.9307 9.1670 9.1499 PRESSURE: 1811000 125.213 -96.6713 -74.1307 -96.6709 1.82511 118.945 -74.1301 118.945 240.778 GPRESSURE: 1811000 157.034 -157.084 -141.171 94.4299 141.2 124.534 -81.0808 22.6324 162.176 PRESSAVG: 1811000 -59.603 3.46969 -50.9837 3.46973 26.2797 46.8681 -50.9837 46.8681 -3.73024 GPRESSAVG: 1811000 -58.7068 3.73956 -52.5935 4.39219 25.2872 45.3379 -47.728 46.8643 -3.99837 TIMING: 1811000 CPU: 5710.63, 0.00316847/step Wall: 5710.63, 0.00316847/step, 2.80673 hours remaining, 239.187500 MB of memory in use. ENERGY: 1811000 3998.2239 20430.2494 14486.0988 247.0424 -203153.0899 2657.5250 0.0000 0.0000 52492.3492 -108841.6012 301.6743 -161333.9504 -108474.9738 300.1660 122.6054 153.4700 762898.5642 -12.3512 -12.4727 PRESSURE: 1811200 -34.9428 19.6767 273.616 19.676 -28.3333 80.5685 273.616 80.5686 0.803182 GPRESSURE: 1811200 -59.6743 5.35324 235.048 -89.7059 3.72627 182.364 300.13 120.589 82.4336 PRESSAVG: 1811200 -62.4313 3.30372 -50.8922 3.30369 81.7152 55.8831 -50.8922 55.8831 -16.285 GPRESSAVG: 1811200 -64.187 5.27784 -50.3338 0.00193438 82.5496 56.639 -52.0668 55.8704 -15.7596 TIMING: 1811200 CPU: 5711.26, 0.00315076/step Wall: 5711.26, 0.00315076/step, 2.79087 hours remaining, 239.187500 MB of memory in use. ENERGY: 1811200 4010.8469 20573.6225 14412.0090 249.1737 -203065.2968 2548.3562 0.0000 0.0000 52439.6747 -108831.6138 301.3715 -161271.2885 -108460.7439 300.7360 -20.8243 8.8285 762455.9599 0.9997 0.8676 PRESSURE: 1811400 47.1922 171.075 -158.79 171.075 -315.962 3.88659 -158.789 3.88705 202.64 GPRESSURE: 1811400 54.0232 89.7633 -114.335 137.963 -257.881 19.8235 -279.138 60.1573 229.851 PRESSAVG: 1811400 -7.14893 19.2692 -18.109 19.2693 21.7849 45.5109 -18.1089 45.5109 9.36881 GPRESSAVG: 1811400 -6.33952 15.8376 -18.4526 21.3258 22.4232 43.824 -17.7886 46.6161 8.84229 TIMING: 1811400 CPU: 5711.89, 0.00314176/step Wall: 5711.89, 0.00314176/step, 2.78273 hours remaining, 239.187500 MB of memory in use. ENERGY: 1811400 4001.4923 20695.5678 14465.8172 245.8681 -203062.6587 2638.4514 0.0000 0.0000 52035.5552 -108979.9066 299.0491 -161015.4618 -108615.6477 300.5720 -22.0433 8.6645 761829.4268 8.0016 8.3087 PRESSURE: 1811600 -305.557 -93.9974 -197.588 -93.9985 174.876 185.583 -197.588 185.583 44.8831 GPRESSURE: 1811600 -335.944 -81.5595 -253.971 -86.0626 185.374 98.5554 -90.7148 109.672 149.797 PRESSAVG: 1811600 13.0728 -11.2087 15.1205 -11.2088 -33.2064 6.99632 15.1205 6.99647 -10.7311 GPRESSAVG: 1811600 14.072 -10.894 15.6376 -12.9233 -33.0896 6.17675 17.2463 5.10857 -11.2886 TIMING: 1811600 CPU: 5712.52, 0.00318016/step Wall: 5712.52, 0.00318016/step, 2.81656 hours remaining, 239.187500 MB of memory in use. ENERGY: 1811600 3947.0251 20759.6938 14424.0257 248.2080 -203059.2432 2517.5427 0.0000 0.0000 52118.0317 -109044.7162 299.5230 -161162.7478 -108674.9011 299.8742 -28.5994 -0.2574 761871.1020 -10.2882 -10.1021 PRESSURE: 1811800 363.223 -77.9864 -74.2988 -77.9859 -260.587 45.9533 -74.2996 45.9531 -228.625 GPRESSURE: 1811800 275.386 -192.214 -72.9889 -80.2768 -145.915 95.5072 -15.6988 86.28 -163.256 PRESSAVG: 1811800 61.2529 -41.0793 1.884 -41.0792 -50.2006 -29.6325 1.88396 -29.6325 23.5504 GPRESSAVG: 1811800 61.0591 -40.8547 2.09118 -40.8141 -50.3109 -28.2449 0.445333 -29.4821 23.8701 TIMING: 1811800 CPU: 5713.17, 0.00320613/step Wall: 5713.17, 0.00320613/step, 2.83938 hours remaining, 239.187500 MB of memory in use. ENERGY: 1811800 4076.4947 20757.5632 14355.3103 274.7445 -203289.0543 2612.7533 0.0000 0.0000 52246.0517 -108966.1367 300.2588 -161212.1883 -108606.1147 300.3754 -41.9962 -11.2616 762293.4086 11.5342 11.5394 PRESSURE: 1812000 -33.4166 189.167 464.535 189.166 -39.6464 27.206 464.536 27.2059 85.5698 GPRESSURE: 1812000 -101.332 172.739 357.835 49.233 64.6261 -34.4515 314.098 -89.3686 116.883 PRESSAVG: 1812000 37.5963 2.6548 -27.1404 2.65471 -15.3505 -33.3142 -27.1404 -33.3142 18.8453 GPRESSAVG: 1812000 38.0086 3.51884 -26.9145 4.74209 -15.0708 -34.9578 -27.4352 -31.1751 18.5963 TIMING: 1812000 CPU: 5713.8, 0.00318054/step Wall: 5713.8, 0.00318054/step, 2.81655 hours remaining, 239.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1812000 3929.5403 20618.6334 14471.7811 246.9891 -203105.6419 2590.8069 0.0000 0.0000 52079.6687 -109168.2224 299.3026 -161247.8911 -108800.4865 299.8514 4.1689 26.7255 762627.4728 13.6970 13.8447 PRESSURE: 1812200 -229.895 -66.1487 -43.1133 -66.148 149.685 -310.9 -43.1126 -310.9 -324.311 GPRESSURE: 1812200 -185.713 39.3405 -119.483 -29.0259 217.519 -271.479 -113.441 -251.013 -326.009 PRESSAVG: 1812200 26.6892 36.2444 -42.2874 36.2444 8.17397 -21.5695 -42.2875 -21.5695 -22.2251 GPRESSAVG: 1812200 25.3884 35.6429 -42.6551 36.963 7.71628 -19.3574 -45.9138 -22.0006 -20.8986 TIMING: 1812200 CPU: 5714.44, 0.00318671/step Wall: 5714.44, 0.00318671/step, 2.82183 hours remaining, 239.187500 MB of memory in use. ENERGY: 1812200 4026.7499 20435.5352 14505.2804 262.3648 -203235.1351 2493.9995 0.0000 0.0000 52147.4803 -109363.7249 299.6923 -161511.2052 -108999.7463 299.3422 -134.8404 -98.0674 761921.5598 4.2127 4.0687 LDB: ============= START OF LOAD BALANCING ============== 5726.85 LDB: ============== END OF LOAD BALANCING =============== 5726.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5726.85 LDB: ============= START OF LOAD BALANCING ============== 5727.17 LDB: Largest compute 7034 load 0.035725 is 18.2% of average load 0.196020 LDB: Average compute 0.004390 is 2.2% of average load 0.196020 LDB: TIME 5727.18 LOAD: AVG 0.19602 MAX 0.217877 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 5727.18 LOAD: AVG 0.19602 MAX 0.217877 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 5727.18 LOAD: AVG 0.19602 MAX 0.217877 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 5727.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5727.18 PRESSURE: 1812400 -187.119 12.707 167.948 12.7064 -199.842 -360.134 167.949 -360.134 -459.605 GPRESSURE: 1812400 -143.894 -5.18944 94.5797 -47.0911 -136.387 -287.089 280.057 -266.794 -472.422 PRESSAVG: 1812400 32.7186 -41.1025 14.2124 -41.1025 -40.473 -21.711 14.2124 -21.711 8.21358 GPRESSAVG: 1812400 33.0125 -40.2406 15.1345 -41.8935 -40.2761 -22.0951 18.5587 -23.4769 8.03011 TIMING: 1812400 CPU: 5715.1, 0.00330513/step Wall: 5715.1, 0.00330513/step, 2.92651 hours remaining, 237.636719 MB of memory in use. ENERGY: 1812400 4031.8314 20713.6271 14461.5868 251.4049 -203359.2181 2489.5177 0.0000 0.0000 52140.2144 -109271.0358 299.6505 -161411.2502 -108902.6490 299.6776 -282.1888 -250.9011 761870.4832 0.1531 0.2555 PRESSURE: 1812600 -352.042 13.151 183.888 13.1518 -88.366 -289.659 183.887 -289.66 -83.3785 GPRESSURE: 1812600 -357.715 -14.4549 221.225 -3.78544 -40.8797 -199.361 177.11 -239.712 -44.4534 PRESSAVG: 1812600 -11.3689 -16.9282 39.3538 -16.9282 41.1115 -17.4801 39.3537 -17.4801 -29.4684 GPRESSAVG: 1812600 -10.5179 -18.8403 37.6948 -15.3406 41.0087 -16.9611 39.646 -15.628 -29.9258 TIMING: 1812600 CPU: 5715.75, 0.00322826/step Wall: 5715.75, 0.00322826/step, 2.85827 hours remaining, 237.839844 MB of memory in use. ENERGY: 1812600 4050.4105 20605.3466 14514.3585 247.4330 -203471.9810 2651.4060 0.0000 0.0000 52201.2767 -109201.7496 300.0015 -161403.0263 -108846.0225 300.3738 -174.5955 -147.6827 761391.1078 0.0914 0.1883 PRESSURE: 1812800 -167.179 161.746 202.924 161.746 -128.811 132.348 202.924 132.347 73.1981 GPRESSURE: 1812800 -69.3327 136.367 176.942 172.999 -132.048 168.807 92.8721 -0.350871 76.6222 PRESSAVG: 1812800 -30.6815 10.6734 4.73277 10.6734 43.9862 14.47 4.73275 14.47 -25.5537 GPRESSAVG: 1812800 -30.7434 12.8803 5.59802 9.4844 43.7315 13.7978 1.8513 11.1659 -25.2153 TIMING: 1812800 CPU: 5716.38, 0.00317633/step Wall: 5716.38, 0.00317633/step, 2.81211 hours remaining, 237.839844 MB of memory in use. ENERGY: 1812800 3931.5005 20583.2032 14430.4269 248.9345 -203064.6132 2294.1574 0.0000 0.0000 52075.4837 -109500.9071 299.2785 -161576.3908 -109121.2490 299.5257 -74.2639 -41.5860 761340.4834 -4.0830 -4.0757 PRESSURE: 1813000 -38.7022 -47.8312 -42.9359 -47.8312 -382.549 -88.7416 -42.936 -88.7411 409.493 GPRESSURE: 1813000 30.682 -12.1761 -41.9004 -50.3124 -329.649 -151.462 59.2388 -16.2321 405.375 PRESSAVG: 1813000 40.4877 3.64603 -4.19234 3.64595 -27.0843 -31.6771 -4.19228 -31.6771 19.0295 GPRESSAVG: 1813000 40.0372 3.23205 -2.91945 3.36967 -26.3389 -31.3193 -4.9702 -31.5899 18.7433 TIMING: 1813000 CPU: 5717.02, 0.0031737/step Wall: 5717.02, 0.0031737/step, 2.8096 hours remaining, 237.839844 MB of memory in use. ENERGY: 1813000 3986.9808 20427.3548 14511.0600 242.3359 -203410.5834 2534.6915 0.0000 0.0000 52475.4376 -109232.7229 301.5771 -161708.1604 -108868.1454 299.9474 -3.9193 35.4691 762270.6749 10.8110 10.8139 PRESSURE: 1813200 -250.553 240.859 193.852 240.858 6.04723 -12.8717 193.852 -12.87 -107.814 GPRESSURE: 1813200 -115.774 148.72 206.471 126.241 -22.4724 37.0061 127.361 34.229 -104.768 PRESSAVG: 1813200 112.594 -9.26103 28.7153 -9.26107 -84.7921 -12.9192 28.7153 -12.9192 6.31651 GPRESSAVG: 1813200 114.257 -11.4632 27.1872 -7.19361 -86.4979 -12.3488 31.578 -10.6124 5.54057 TIMING: 1813200 CPU: 5717.65, 0.00319065/step Wall: 5717.65, 0.00319065/step, 2.82443 hours remaining, 237.839844 MB of memory in use. ENERGY: 1813200 3999.5524 20557.9838 14461.1520 243.3107 -203132.9822 2449.5034 0.0000 0.0000 52046.8313 -109374.6484 299.1139 -161421.4797 -109018.4350 300.0202 -117.4398 -81.0047 762618.7350 11.3728 11.1000 PRESSURE: 1813400 178.848 147.98 60.6651 147.979 220.318 -89.6391 60.6663 -89.6398 -374.19 GPRESSURE: 1813400 221.36 190.584 107.27 194.503 251.081 -117.634 -30.8328 -13.5824 -386.616 PRESSAVG: 1813400 38.0675 -7.58183 -6.20253 -7.58183 -19.4305 31.7877 -6.20256 31.7877 8.38287 GPRESSAVG: 1813400 37.6567 -6.35622 -7.49793 -9.21844 -19.7427 29.2963 -7.30127 31.7059 8.89983 TIMING: 1813400 CPU: 5718.29, 0.00315724/step Wall: 5718.29, 0.00315724/step, 2.79469 hours remaining, 237.839844 MB of memory in use. ENERGY: 1813400 3937.2360 20696.9107 14528.9823 275.6596 -203676.3658 2684.0440 0.0000 0.0000 52425.1754 -109128.3579 301.2882 -161553.5333 -108768.1460 300.2759 8.3255 28.6084 760195.1974 9.0066 8.9379 PRESSURE: 1813600 177.326 -85.9381 361.225 -85.9379 578.862 -170.521 361.226 -170.521 276.439 GPRESSURE: 1813600 196.859 -98.7051 378.251 96.4183 531.059 -151.058 232.484 -95.1345 380.729 PRESSAVG: 1813600 12.6093 14.015 9.24085 14.015 -29.9868 -7.07704 9.24084 -7.07701 -7.22927 GPRESSAVG: 1813600 11.3186 14.9185 11.886 14.7006 -29.5671 -7.99223 9.56805 -5.88494 -6.83087 TIMING: 1813600 CPU: 5718.92, 0.00316221/step Wall: 5718.92, 0.00316221/step, 2.7989 hours remaining, 237.839844 MB of memory in use. ENERGY: 1813600 3891.1106 20675.0003 14547.6918 249.2463 -203866.3707 3128.2874 0.0000 0.0000 52123.4134 -109251.6208 299.5540 -161375.0343 -108888.9545 300.0840 344.2089 369.5490 760115.9530 -8.2023 -8.3598 PRESSURE: 1813800 -355.929 5.03723 -32.4817 5.03661 -268.558 345.818 -32.4812 345.817 -297.403 GPRESSURE: 1813800 -316.062 -87.9602 -94.0655 -22.1588 -247.674 269.768 12.2414 239.293 -281.867 PRESSAVG: 1813800 22.366 -20.5897 7.7706 -20.5897 -9.0792 61.4841 7.77062 61.4841 0.607792 GPRESSAVG: 1813800 22.3793 -21.3342 5.09751 -20.7463 -9.29567 63.9665 7.98062 59.2333 0.340814 TIMING: 1813800 CPU: 5719.55, 0.003167/step Wall: 5719.55, 0.003167/step, 2.80297 hours remaining, 237.839844 MB of memory in use. ENERGY: 1813800 3917.2832 20544.1208 14455.4906 258.0322 -202907.6879 2154.9469 0.0000 0.0000 52214.0069 -109363.8072 300.0746 -161577.8142 -108995.1136 300.0651 -307.2965 -281.8674 760608.0317 4.6315 4.4748 PRESSURE: 1814000 -139.698 -353.169 170.933 -353.169 1.17866 14.7443 170.933 14.7454 306.438 GPRESSURE: 1814000 -106.231 -279.84 296.753 -297.264 69.1391 56.5744 188.828 -84.9675 305.328 PRESSAVG: 1814000 -10.9972 -21.5827 -15.7386 -21.5827 -24.8278 19.8493 -15.7387 19.8494 1.71481 GPRESSAVG: 1814000 -10.8206 -19.5632 -14.8188 -21.9721 -24.4094 19.7334 -15.9297 19.3197 1.20972 TIMING: 1814000 CPU: 5720.18, 0.00315762/step Wall: 5720.18, 0.00315762/step, 2.79449 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1814000 3943.7483 20660.2074 14454.5472 244.8654 -203289.5830 2409.3796 0.0000 0.0000 52163.1739 -109413.6611 299.7825 -161576.8350 -109055.2314 299.7397 55.9731 89.4119 759822.4144 -11.3700 -11.3401 PRESSURE: 1814200 -27.836 -205.149 -93.1017 -205.149 68.0571 -223.752 -93.1005 -223.752 -26.5948 GPRESSURE: 1814200 -45.798 -97.3264 -95.3753 -131.491 115.263 -148.754 -111.936 -364.501 21.0808 PRESSAVG: 1814200 11.6198 12.1242 -21.1779 12.1241 4.81656 -30.2571 -21.1779 -30.2571 25.3654 GPRESSAVG: 1814200 11.4313 13.1582 -21.7102 12.8332 4.54984 -30.8042 -20.9895 -27.6106 26.0235 TIMING: 1814200 CPU: 5720.81, 0.00315586/step Wall: 5720.81, 0.00315586/step, 2.79276 hours remaining, 237.839844 MB of memory in use. ENERGY: 1814200 3998.6416 20562.0659 14508.5585 238.9335 -203285.9454 2580.0344 0.0000 0.0000 52078.1514 -109319.5601 299.2939 -161397.7114 -108960.4131 299.9603 4.5421 30.1818 760703.2621 13.9339 14.0016 PRESSURE: 1814400 -20.5507 74.2242 28.6979 74.2239 -92.0492 269.202 28.6973 269.203 -52.6451 GPRESSURE: 1814400 -19.5302 15.6148 109.727 134.297 -35.7443 266.544 -60.3384 193.472 -23.0008 PRESSAVG: 1814400 -6.50334 42.0616 -21.1383 42.0616 14.0127 -8.47733 -21.1383 -8.47731 8.66337 GPRESSAVG: 1814400 -7.56661 37.5714 -21.4163 41.6401 14.3634 -8.82013 -21.0582 -11.2637 9.2244 TIMING: 1814400 CPU: 5721.44, 0.00314565/step Wall: 5721.44, 0.00314565/step, 2.78355 hours remaining, 237.839844 MB of memory in use. ENERGY: 1814400 3962.8056 20521.6312 14443.1452 270.7297 -202953.9597 2335.1418 0.0000 0.0000 52082.5541 -109337.9521 299.3192 -161420.5062 -108965.2643 299.8130 -55.0817 -26.0918 762058.5488 5.3909 5.3404 PRESSURE: 1814600 7.76909 -150.544 197.974 -150.545 34.7211 31.981 197.974 31.9819 -125.99 GPRESSURE: 1814600 53.1872 -159.125 244.114 -104.939 31.3253 150.075 221.112 -159.525 -92.6026 PRESSAVG: 1814600 51.6869 24.576 15.2126 24.576 -60.4869 -7.93028 15.2126 -7.93033 -11.3573 GPRESSAVG: 1814600 52.096 25.7822 16.1931 22.0771 -60.2197 -8.20533 14.0824 -7.22037 -11.5455 TIMING: 1814600 CPU: 5722.07, 0.00314566/step Wall: 5722.07, 0.00314566/step, 2.78339 hours remaining, 237.839844 MB of memory in use. ENERGY: 1814600 3950.7136 20497.5651 14367.9139 250.0772 -203089.1351 2376.1779 0.0000 0.0000 52214.5295 -109432.1580 300.0776 -161646.6876 -109062.9368 299.9596 -27.8334 -2.6967 761923.3556 -6.7191 -6.5564 PRESSURE: 1814800 187.949 -97.8198 -228.047 -97.8203 -72.3902 -371.984 -228.047 -371.984 -122.654 GPRESSURE: 1814800 309.88 -156.17 -250.732 29.1224 -48.0911 -299.728 -148.478 -351.404 -182.479 PRESSAVG: 1814800 -6.5469 -37.7973 -1.22519 -37.7972 29.948 0.134108 -1.2252 0.13414 12.9117 GPRESSAVG: 1814800 -6.7154 -36.3998 -2.50039 -35.9628 30.6256 0.394037 -0.859114 -0.89179 12.3162 TIMING: 1814800 CPU: 5722.71, 0.00320472/step Wall: 5722.71, 0.00320471/step, 2.83546 hours remaining, 237.839844 MB of memory in use. ENERGY: 1814800 3993.7140 20448.2261 14391.3105 267.4218 -203181.1733 2470.4884 0.0000 0.0000 52384.0075 -109226.0050 301.0516 -161610.0125 -108850.8266 299.4190 -2.3652 26.4365 761603.4655 12.1043 12.0755 PRESSURE: 1815000 -28.8243 109.539 79.508 109.539 35.5349 -68.8872 79.5082 -68.8864 -3.7839 GPRESSURE: 1815000 41.7428 114.715 102.011 74.9236 136.705 17.2838 6.05783 -39.2834 -52.6773 PRESSAVG: 1815000 -14.7031 -60.6181 -12.7122 -60.618 23.5695 -42.2011 -12.7121 -42.2012 14.2209 GPRESSAVG: 1815000 -13.7865 -61.8111 -12.4269 -60.9326 22.1159 -40.4982 -13.4631 -41.7325 14.3655 TIMING: 1815000 CPU: 5723.35, 0.00318329/step Wall: 5723.35, 0.00318329/step, 2.81633 hours remaining, 237.839844 MB of memory in use. ENERGY: 1815000 3999.1446 20358.3029 14450.1234 248.7731 -202942.9936 2501.9671 0.0000 0.0000 52307.0908 -109077.5917 300.6096 -161384.6824 -108708.9813 300.0536 0.9756 41.9234 762916.8559 7.6957 7.5650 PRESSURE: 1815200 -87.8223 21.8608 -341.64 21.8615 -210.431 -110.629 -341.639 -110.63 -344.862 GPRESSURE: 1815200 -97.1657 78.1653 -310.569 20.562 -185.502 -167.705 -462.11 -63.362 -291.276 PRESSAVG: 1815200 -10.1919 28.2508 -30.6366 28.2507 -28.5251 -7.07303 -30.6366 -7.07303 -2.17541 GPRESSAVG: 1815200 -11.8664 29.4124 -30.0135 26.7776 -28.3397 -7.39608 -29.4667 -4.65713 -1.65419 TIMING: 1815200 CPU: 5723.98, 0.00315805/step Wall: 5723.98, 0.00315805/step, 2.79382 hours remaining, 237.839844 MB of memory in use. ENERGY: 1815200 4037.1254 20629.9792 14445.9268 253.7974 -203158.3025 2553.3102 0.0000 0.0000 52232.1730 -109005.9905 300.1790 -161238.1635 -108651.2799 300.0669 -214.3716 -191.3145 762834.3422 -13.6308 -13.9535 PRESSURE: 1815400 -96.7838 -185.338 -100.551 -185.338 19.0601 19.7581 -100.551 19.7582 44.4973 GPRESSURE: 1815400 -68.9103 -162.004 -124.118 -13.6427 39.4212 53.9843 -29.3795 33.6007 63.5831 PRESSAVG: 1815400 30.0748 -48.2417 -114.907 -48.2416 -46.4521 -20.8958 -114.907 -20.8957 10.1652 GPRESSAVG: 1815400 30.9453 -47.2658 -114.543 -45.782 -46.6209 -21.9642 -117.224 -20.6912 9.18502 TIMING: 1815400 CPU: 5724.63, 0.00322708/step Wall: 5724.63, 0.00322708/step, 2.85471 hours remaining, 237.839844 MB of memory in use. ENERGY: 1815400 3971.2133 20653.4859 14461.8779 248.8278 -202862.2577 2311.2048 0.0000 0.0000 52239.1189 -108976.5291 300.2189 -161215.6480 -108627.6198 300.9609 -11.0755 11.3647 762732.9255 -2.0707 -2.1635 PRESSURE: 1815600 -21.1968 -143.17 91.324 -143.171 -219.279 3.08793 91.3245 3.08883 -250.744 GPRESSURE: 1815600 49.6129 -123.51 105.219 -95.457 -242.492 -0.708975 126.634 -52.4529 -226.134 PRESSAVG: 1815600 21.1194 -7.23374 0.320366 -7.23381 -28.899 -15.3533 0.32032 -15.3532 -26.5568 GPRESSAVG: 1815600 20.6298 -8.98335 -0.0789687 -6.13035 -29.3231 -16.4443 3.18021 -17.3059 -25.2565 TIMING: 1815600 CPU: 5725.27, 0.00321222/step Wall: 5725.27, 0.00321222/step, 2.84139 hours remaining, 237.839844 MB of memory in use. ENERGY: 1815600 3917.0929 20473.9720 14489.6425 261.3470 -202913.2241 2549.4368 0.0000 0.0000 52207.8784 -109013.8544 300.0394 -161221.7328 -108649.1861 300.4306 -163.7398 -139.6712 762851.4145 -11.4455 -11.3166 PRESSURE: 1815800 -92.5393 59.5503 94.8079 59.5499 -463.032 33.2294 94.8083 33.2301 117.519 GPRESSURE: 1815800 -65.9785 -11.5128 93.0037 57.6721 -379.7 -61.7883 130.771 33.5804 94.6126 PRESSAVG: 1815800 19.7843 -32.1373 28.2237 -32.1373 -2.79426 11.7677 28.2237 11.7678 -8.87315 GPRESSAVG: 1815800 20.7895 -32.2816 28.1681 -34.0611 -2.92068 11.7011 27.2571 12.4594 -9.29509 TIMING: 1815800 CPU: 5725.91, 0.00321098/step Wall: 5725.91, 0.00321098/step, 2.84011 hours remaining, 237.839844 MB of memory in use. ENERGY: 1815800 4012.8750 20427.3623 14478.3483 257.6117 -202851.3817 2353.1784 0.0000 0.0000 52383.3162 -108938.6898 301.0476 -161322.0060 -108573.5773 300.4295 -146.0174 -117.0221 762808.5213 2.7056 2.8579 PRESSURE: 1816000 35.9021 -212.947 -43.8147 -212.947 -2.40042 315.694 -43.8142 315.693 29.2148 GPRESSURE: 1816000 61.0614 -100.83 -63.5875 -208.559 89.5269 217.067 -7.78074 304.359 -4.77747 PRESSAVG: 1816000 25.192 -23.3008 -30.6699 -23.3007 -57.8806 -1.66738 -30.6698 -1.66747 2.3948 GPRESSAVG: 1816000 24.8175 -24.7694 -30.292 -23.0444 -56.6786 0.593254 -30.7524 -3.10018 1.71805 TIMING: 1816000 CPU: 5726.55, 0.00319498/step Wall: 5726.55, 0.00319498/step, 2.82578 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1816000 3972.5349 20458.0456 14463.4829 246.6846 -203309.7354 2648.4644 0.0000 0.0000 52280.6432 -109239.8797 300.4576 -161520.5230 -108864.0574 300.5606 20.9055 48.6036 761237.3615 -10.0980 -10.0477 PRESSURE: 1816200 -200.562 37.9268 21.4671 37.9268 -244.895 115.462 21.4669 115.462 154.311 GPRESSURE: 1816200 -217.06 -3.50219 -57.4877 -45.175 -104.784 123.839 -77.0766 81.8227 110.478 PRESSAVG: 1816200 -4.41202 0.50075 -77.2682 0.500741 3.12201 7.33852 -77.2683 7.33858 -13.38 GPRESSAVG: 1816200 -4.21046 1.96958 -77.4182 1.57912 3.39574 7.35228 -77.5788 8.52787 -13.212 TIMING: 1816200 CPU: 5727.19, 0.00317768/step Wall: 5727.19, 0.00317768/step, 2.81031 hours remaining, 237.839844 MB of memory in use. ENERGY: 1816200 4081.3405 20560.8842 14479.9289 247.0985 -203076.7359 2442.7546 0.0000 0.0000 52089.2451 -109175.4843 299.3576 -161264.7293 -108821.0077 300.0974 -97.0486 -70.4552 761519.5635 -4.8900 -4.6756 LDB: ============= START OF LOAD BALANCING ============== 5739.59 LDB: ============== END OF LOAD BALANCING =============== 5739.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5739.59 LDB: ============= START OF LOAD BALANCING ============== 5739.91 LDB: Largest compute 7034 load 0.035465 is 18.1% of average load 0.195898 LDB: Average compute 0.004407 is 2.2% of average load 0.195898 LDB: TIME 5739.91 LOAD: AVG 0.195898 MAX 0.215352 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 5739.91 LOAD: AVG 0.195898 MAX 0.215352 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 5739.91 LOAD: AVG 0.195898 MAX 0.215352 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5739.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5739.92 PRESSURE: 1816400 140.276 -105.543 13.4578 -105.542 -104.482 82.7204 13.4583 82.7201 -35.6399 GPRESSURE: 1816400 151.393 -153.541 42.4665 -105.351 -109.963 219.424 -39.7155 49.9806 33.0958 PRESSAVG: 1816400 9.38608 -80.7663 -43.282 -80.7664 -11.6567 15.5158 -43.2821 15.5159 15.0142 GPRESSAVG: 1816400 9.81028 -79.914 -42.9676 -81.0541 -13.1227 14.7134 -43.8361 16.4444 16.0133 TIMING: 1816400 CPU: 5727.84, 0.00325858/step Wall: 5727.84, 0.00325858/step, 2.88167 hours remaining, 238.207031 MB of memory in use. ENERGY: 1816400 3900.4762 20459.9525 14429.0586 258.6883 -202882.1826 2501.0958 0.0000 0.0000 52106.1602 -109226.7510 299.4548 -161332.9113 -108865.8457 299.5841 0.0512 24.8420 762487.7178 4.2479 4.2336 PRESSURE: 1816600 -270.787 193.984 -168.444 193.984 -3.90335 -179.208 -168.444 -179.207 -99.1588 GPRESSURE: 1816600 -195.953 307.963 -140.071 124.259 -39.5149 -92.3005 -150.633 -337.828 -75.0696 PRESSAVG: 1816600 24.2995 -7.82175 -83.9495 -7.82173 -0.778779 -14.3533 -83.9495 -14.3533 -11.8243 GPRESSAVG: 1816600 24.3497 -8.75244 -83.426 -8.00534 -0.866335 -14.6532 -82.9173 -14.1581 -12.4392 TIMING: 1816600 CPU: 5728.48, 0.00320105/step Wall: 5728.48, 0.00320105/step, 2.83062 hours remaining, 238.351562 MB of memory in use. ENERGY: 1816600 3964.1827 20532.2825 14485.6238 243.5418 -202712.4666 2380.4339 0.0000 0.0000 51809.5360 -109296.8658 297.7501 -161106.4018 -108945.4125 299.4393 -124.6163 -103.5124 762724.6513 3.8988 3.6814 PRESSURE: 1816800 -86.1929 -42.7075 215.919 -42.7082 -178.064 -150.247 215.919 -150.246 -20.3976 GPRESSURE: 1816800 -57.6737 -61.4904 229.569 37.4546 -99.4636 -107.407 152.428 -171.544 -30.0485 PRESSAVG: 1816800 -11.465 3.13077 1.25385 3.13077 -11.8463 39.8507 1.25384 39.8508 19.8967 GPRESSAVG: 1816800 -12.4854 3.1589 -0.319789 3.56875 -10.8172 40.97 1.12938 38.1227 19.8263 TIMING: 1816800 CPU: 5729.11, 0.00315655/step Wall: 5729.11, 0.00315655/step, 2.79109 hours remaining, 238.351562 MB of memory in use. ENERGY: 1816800 4042.5231 20339.5490 14526.1083 245.7525 -203430.9516 2745.7038 0.0000 0.0000 52114.6067 -109416.7082 299.5034 -161531.3149 -109062.1992 299.5700 -94.8847 -62.3953 760874.5132 -1.1382 -1.1588 PRESSURE: 1817000 -169.647 -77.6789 -266.585 -77.6788 98.0715 -94.4082 -266.584 -94.4092 129.843 GPRESSURE: 1817000 -67.6528 -237.078 -213.101 -121.803 149.825 -202.135 -170.143 -88.4603 58.3073 PRESSAVG: 1817000 87.5844 -57.5573 -65.3344 -57.5573 -16.6469 48.1799 -65.3345 48.1799 -11.4875 GPRESSAVG: 1817000 87.8521 -58.5681 -63.4822 -58.0801 -16.5942 46.3969 -65.3074 47.4578 -12.0574 TIMING: 1817000 CPU: 5729.74, 0.00316795/step Wall: 5729.74, 0.00316795/step, 2.801 hours remaining, 238.351562 MB of memory in use. ENERGY: 1817000 3992.3509 20505.9095 14501.3382 232.7989 -203193.4665 2585.2516 0.0000 0.0000 52120.6229 -109255.1944 299.5379 -161375.8173 -108886.2732 299.5296 19.4227 46.8266 762470.5274 19.8166 19.7335 PRESSURE: 1817200 30.7752 0.166633 33.7489 0.166758 52.4977 12.6065 33.7491 12.6057 272.427 GPRESSURE: 1817200 -2.37723 149.577 19.3048 -36.9507 141.862 -38.0868 37.8047 85.2836 294.842 PRESSAVG: 1817200 4.90658 -3.46469 -16.0727 -3.46463 -13.2666 -5.93534 -16.0728 -5.93539 1.35901 GPRESSAVG: 1817200 5.9826 -3.19087 -15.9621 -3.46859 -15.4545 -5.88078 -16.4603 -2.9 2.37866 TIMING: 1817200 CPU: 5730.38, 0.003194/step Wall: 5730.38, 0.003194/step, 2.82385 hours remaining, 238.351562 MB of memory in use. ENERGY: 1817200 3969.0183 20489.3218 14453.8736 248.9957 -203315.1271 2626.7817 0.0000 0.0000 52194.4385 -109332.6974 299.9622 -161527.1359 -108977.0071 299.9873 118.5666 144.7755 761698.9193 -2.3337 -2.3644 PRESSURE: 1817400 197.134 -170.835 74.8835 -170.835 -164.043 61.2196 74.8845 61.2198 -203.73 GPRESSURE: 1817400 278.343 -67.7863 40.3638 -126.455 -116.966 74.4027 91.6075 -74.8244 -241.41 PRESSAVG: 1817400 -10.3812 6.34247 -19.894 6.34243 -21.5201 -5.0802 -19.894 -5.08026 -11.4894 GPRESSAVG: 1817400 -11.1607 8.62913 -20.2336 5.64211 -20.8985 -4.29038 -19.4827 -7.59495 -11.1647 TIMING: 1817400 CPU: 5731.02, 0.00318189/step Wall: 5731.02, 0.00318189/step, 2.81296 hours remaining, 238.351562 MB of memory in use. ENERGY: 1817400 4003.8143 20470.7171 14460.8054 249.3295 -203116.9144 2493.5683 0.0000 0.0000 52255.9103 -109182.7696 300.3154 -161438.6799 -108819.9334 299.6037 -56.8795 -26.6777 759542.4280 -14.4636 -14.4080 PRESSURE: 1817600 91.5887 -244.437 -32.1153 -244.437 -76.9994 -36.3805 -32.1147 -36.3804 412.865 GPRESSURE: 1817600 101.759 -193.992 -25.4832 -323.735 -11.3388 1.17727 -108.36 -116.83 413.319 PRESSAVG: 1817600 85.8749 -35.8649 14.2353 -35.8649 -89.316 -17.9575 14.2353 -17.9576 16.2119 GPRESSAVG: 1817600 86.1061 -37.39 14.8189 -36.799 -88.7212 -19.3244 14.5815 -15.5208 15.367 TIMING: 1817600 CPU: 5731.66, 0.00319924/step Wall: 5731.66, 0.00319924/step, 2.82813 hours remaining, 238.351562 MB of memory in use. ENERGY: 1817600 3906.8784 20478.9189 14448.8604 251.8159 -203014.9975 2601.3356 0.0000 0.0000 52150.7998 -109176.3886 299.7114 -161327.1883 -108812.0456 300.2746 142.4847 167.9129 761869.0454 4.2570 4.2506 PRESSURE: 1817800 197.572 -106.611 265.936 -106.611 -329.513 81.4464 265.936 81.4458 9.38419 GPRESSURE: 1817800 187.294 -74.9789 199.536 -119.344 -301.709 60.1307 289.25 65.1395 80.2055 PRESSAVG: 1817800 26.7595 -26.2389 25.1681 -26.2389 0.565756 -32.3664 25.168 -32.3663 -7.70072 GPRESSAVG: 1817800 25.1393 -26.2049 25.7386 -23.5604 1.8426 -31.8933 26.1002 -33.813 -7.29036 TIMING: 1817800 CPU: 5732.3, 0.00321589/step Wall: 5732.3, 0.00321589/step, 2.84267 hours remaining, 238.351562 MB of memory in use. ENERGY: 1817800 3948.5974 20618.7493 14418.8006 249.8876 -203215.2209 2634.3814 0.0000 0.0000 52245.6880 -109099.1167 300.2567 -161344.8046 -108736.4410 300.2203 -40.8522 -11.4033 762663.1191 6.5415 6.5638 PRESSURE: 1818000 -200.682 -209.944 -25.8613 -209.944 138.189 176.155 -25.8614 176.155 -166.476 GPRESSURE: 1818000 -131.258 -221.305 7.69137 -212.134 203.423 136.166 68.2999 181.243 -208.347 PRESSAVG: 1818000 11.946 -43.8904 48.8078 -43.8903 19.3403 -35.5601 48.8077 -35.5601 -4.10333 GPRESSAVG: 1818000 12.487 -45.9497 47.532 -44.7649 19.2187 -35.706 47.3601 -34.2884 -4.71613 TIMING: 1818000 CPU: 5732.95, 0.00323653/step Wall: 5732.95, 0.00323653/step, 2.86073 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1818000 3967.5190 20643.1454 14514.6136 252.5304 -203609.5904 2985.2650 0.0000 0.0000 51998.4393 -109248.0776 298.8357 -161246.5169 -108898.3039 299.9080 -76.3230 -45.3940 761504.8707 9.0610 8.9965 PRESSURE: 1818200 349.933 -24.6304 -80.6936 -24.6293 8.99542 77.4824 -80.6943 77.4824 841.667 GPRESSURE: 1818200 332.049 -106.925 -83.6483 -50.9445 89.0188 120.706 -67.2579 78.5033 870.734 PRESSAVG: 1818200 37.0147 -31.6371 -6.22965 -31.6371 -13.8701 0.49473 -6.22967 0.494805 15.56 GPRESSAVG: 1818200 37.7556 -29.1815 -7.08365 -30.4071 -15.3811 3.44228 -4.60661 -0.873778 16.05 TIMING: 1818200 CPU: 5733.59, 0.00318708/step Wall: 5733.59, 0.00318708/step, 2.81685 hours remaining, 238.351562 MB of memory in use. ENERGY: 1818200 3990.0919 20572.0603 14504.6283 251.3587 -203351.8251 2787.2406 0.0000 0.0000 52047.3411 -109199.1042 299.1168 -161246.4453 -108839.7460 300.2036 400.1986 430.6005 760376.4734 12.9015 12.8082 PRESSURE: 1818400 -88.0794 66.1477 118.663 66.147 138.571 145.266 118.665 145.266 -196.018 GPRESSURE: 1818400 -22.695 89.0246 162.502 56.7109 93.7225 102.764 120.056 61.3024 -143.742 PRESSAVG: 1818400 49.042 -39.3031 -40.9382 -39.3031 -12.4462 2.23896 -40.9382 2.23904 -4.54502 GPRESSAVG: 1818400 49.6425 -39.2334 -39.5347 -40.0781 -12.1303 0.504448 -41.3739 2.2914 -5.46592 TIMING: 1818400 CPU: 5734.22, 0.00316888/step Wall: 5734.22, 0.00316888/step, 2.80059 hours remaining, 238.351562 MB of memory in use. ENERGY: 1818400 4063.1000 20575.8606 14398.6575 247.8730 -203100.0599 2463.4241 0.0000 0.0000 52095.2384 -109255.9061 299.3921 -161351.1446 -108901.5285 300.1534 -48.5088 -24.2382 760095.8951 10.6836 10.6821 PRESSURE: 1818600 -59.0562 145.956 148.898 145.956 -180.975 -90.8411 148.898 -90.8419 296.202 GPRESSURE: 1818600 -25.7695 58.6312 128.927 72.2453 -107.875 -119.5 161.105 26.7618 265.76 PRESSAVG: 1818600 23.7218 50.0052 33.8169 50.0051 -50.6324 -6.773 33.8168 -6.77291 8.73864 GPRESSAVG: 1818600 23.4687 49.2605 35.5116 50.1964 -50.7873 -5.99328 32.8423 -8.10994 9.21915 TIMING: 1818600 CPU: 5734.85, 0.00316572/step Wall: 5734.85, 0.00316572/step, 2.79762 hours remaining, 238.351562 MB of memory in use. ENERGY: 1818600 4092.9342 20498.6168 14374.1028 245.4554 -202837.3439 2448.7644 0.0000 0.0000 52014.8243 -109162.6461 298.9299 -161177.4704 -108815.9684 300.2097 18.7236 44.0386 761232.1598 -6.0573 -6.0332 PRESSURE: 1818800 264.631 3.10167 -326.062 3.10134 -362.54 53.2254 -326.061 53.2237 -277.496 GPRESSURE: 1818800 242.056 -38.6618 -287.484 -39.282 -274.49 33.9337 -162.308 106.164 -237.364 PRESSAVG: 1818800 39.7978 -0.650426 -21.4196 -0.650454 -34.1573 -0.0629635 -21.4195 -0.0630893 -4.39309 GPRESSAVG: 1818800 40.1936 -1.15137 -23.7505 -1.01595 -35.7524 -0.284257 -18.6847 1.88081 -3.38072 TIMING: 1818800 CPU: 5735.48, 0.00313629/step Wall: 5735.48, 0.00313629/step, 2.77143 hours remaining, 238.351562 MB of memory in use. ENERGY: 1818800 4058.9520 20436.7828 14421.3914 220.7654 -203050.5699 2481.5956 0.0000 0.0000 52344.6875 -109086.3951 300.8256 -161431.0826 -108718.2763 300.1758 -125.1351 -89.9327 760355.7254 0.4158 0.3535 PRESSURE: 1819000 -183.96 -69.4267 -249.753 -69.4278 137.654 147.796 -249.753 147.796 119.004 GPRESSURE: 1819000 -185.305 -32.4745 -234.63 7.99152 230.199 10.0655 -203.36 21.7585 103.213 PRESSAVG: 1819000 43.5252 -0.755951 -40.6865 -0.756008 -68.1513 56.5058 -40.6865 56.5056 21.0434 GPRESSAVG: 1819000 43.0628 0.343219 -40.5681 0.547119 -66.9779 56.0308 -41.7338 55.9366 20.0323 TIMING: 1819000 CPU: 5736.11, 0.00314395/step Wall: 5736.11, 0.00314395/step, 2.77803 hours remaining, 238.351562 MB of memory in use. ENERGY: 1819000 4055.3556 20554.1639 14424.4976 267.4218 -203406.1949 2469.4492 0.0000 0.0000 52256.8302 -109378.4766 300.3207 -161635.3068 -109013.1989 299.8230 24.2327 49.3692 760440.4508 -1.1942 -1.2943 PRESSURE: 1819200 -280.696 -131.739 14.2728 -131.738 -297.475 -4.55291 14.2726 -4.55366 -213.317 GPRESSURE: 1819200 -250.854 -66.4334 25.9255 -60.8839 -319.285 87.8071 36.3206 -109.594 -157.285 PRESSAVG: 1819200 15.0452 -16.5826 16.1705 -16.5826 -11.5203 25.6177 16.1705 25.6177 -12.5247 GPRESSAVG: 1819200 15.1926 -17.4512 17.0094 -18.1957 -12.1542 25.7024 18.1184 25.4243 -11.4354 TIMING: 1819200 CPU: 5736.74, 0.00315043/step Wall: 5736.74, 0.00315043/step, 2.78358 hours remaining, 238.351562 MB of memory in use. ENERGY: 1819200 4065.0167 20692.1388 14581.1916 234.7840 -203101.9799 2195.5013 0.0000 0.0000 51902.7880 -109430.5594 298.2860 -161333.3474 -109073.3917 299.5523 -263.8291 -242.4744 761682.4519 -2.9999 -2.7990 PRESSURE: 1819400 573.445 -177.532 46.6472 -177.532 157.681 -312.455 46.6468 -312.455 418.329 GPRESSURE: 1819400 656.38 -147.802 59.5374 -153.091 219.794 -298.138 15.8699 -268.511 375.075 PRESSAVG: 1819400 69.7762 -26.1862 25.1391 -26.1861 -59.3632 11.4892 25.139 11.4893 0.554071 GPRESSAVG: 1819400 69.4197 -26.1922 23.7088 -25.7564 -57.5772 11.0169 24.0472 12.6989 -0.973808 TIMING: 1819400 CPU: 5737.37, 0.00316967/step Wall: 5737.37, 0.00316967/step, 2.8004 hours remaining, 238.351562 MB of memory in use. ENERGY: 1819400 3968.1878 20316.6763 14430.8227 243.2490 -203421.1297 2838.1954 0.0000 0.0000 52072.8608 -109551.1378 299.2634 -161623.9985 -109182.2497 299.3040 383.1516 417.0830 759520.9785 3.6557 3.6229 PRESSURE: 1819600 -138.626 -96.3201 -81.6699 -96.3199 -127.308 74.7225 -81.6707 74.7235 -122.192 GPRESSURE: 1819600 -119.006 47.1662 -55.6337 13.7884 -113.129 127.654 -35.1895 77.9665 -55.0923 PRESSAVG: 1819600 69.1501 65.8689 52.8872 65.8689 -98.7808 6.15723 52.8872 6.15721 -22.5451 GPRESSAVG: 1819600 69.6148 67.1401 51.0417 64.6979 -100.379 6.75888 54.4981 5.09709 -21.5754 TIMING: 1819600 CPU: 5738.01, 0.00316331/step Wall: 5738.01, 0.00316331/step, 2.79461 hours remaining, 238.351562 MB of memory in use. ENERGY: 1819600 3968.7296 20460.1141 14494.4647 245.4168 -202921.2257 2319.4565 0.0000 0.0000 51881.8283 -109551.2158 298.1656 -161433.0441 -109185.7514 299.2628 -129.3753 -95.7423 761523.8662 -17.3919 -17.4464 PRESSURE: 1819800 18.7978 59.9656 -119.363 59.9654 -114.146 36.0618 -119.363 36.0619 -92.2895 GPRESSURE: 1819800 157.25 151.746 -84.7572 -19.7673 -106.65 3.98073 -2.45213 -17.318 -151.992 PRESSAVG: 1819800 45.9139 7.20118 30.9418 7.2012 -50.3067 8.84109 30.9417 8.84103 4.04274 GPRESSAVG: 1819800 46.8897 7.15576 33.2447 8.87596 -50.5957 7.89658 27.9688 10.0829 3.09052 TIMING: 1819800 CPU: 5738.64, 0.00318369/step Wall: 5738.64, 0.00318369/step, 2.81244 hours remaining, 238.351562 MB of memory in use. ENERGY: 1819800 3994.5643 20460.1771 14342.1661 245.2937 -203085.0219 2155.7492 0.0000 0.0000 52242.7346 -109644.3370 300.2397 -161887.0716 -109280.3515 298.7234 -62.5459 -33.7974 761686.0258 -0.1167 -0.2052 PRESSURE: 1820000 -172.476 -122.804 -210.378 -122.804 -197.935 186.562 -210.378 186.562 165.792 GPRESSURE: 1820000 -10.9572 -271.797 -245.537 -139.906 -163.763 241.103 -142.669 119.12 61.8636 PRESSAVG: 1820000 35.1388 30.765 -54.0877 30.7649 -35.2402 39.6911 -54.0878 39.691 21.0728 GPRESSAVG: 1820000 34.9513 28.706 -53.7227 29.7684 -34.9013 40.4302 -53.5755 38.7907 20.6506 TIMING: 1820000 CPU: 5739.27, 0.003153/step Wall: 5739.27, 0.003153/step, 2.78515 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1820000 3954.8927 20629.2360 14389.4357 250.8760 -202950.8296 2222.6752 0.0000 0.0000 51716.1534 -109787.5606 297.2134 -161503.7140 -109429.0208 298.8312 -68.2065 -37.6190 760704.3750 6.9905 6.9002 PRESSURE: 1820200 -106.237 -96.7796 -240.416 -96.7806 33.4432 -245.339 -240.415 -245.338 -21.7557 GPRESSURE: 1820200 -124.308 16.2126 -144.213 -203.534 44.3327 -267.422 -235.644 -169.367 79.3325 PRESSAVG: 1820200 31.9135 6.83786 -41.1748 6.83786 -32.2191 48.3827 -41.1747 48.3827 -13.2214 GPRESSAVG: 1820200 30.0449 8.40374 -41.6345 8.76823 -31.1597 48.2811 -40.5889 46.7066 -12.5448 TIMING: 1820200 CPU: 5739.91, 0.00316952/step Wall: 5739.91, 0.00316952/step, 2.79957 hours remaining, 238.351562 MB of memory in use. ENERGY: 1820200 4004.9041 20449.6420 14511.5826 244.5815 -203496.1008 2483.0635 0.0000 0.0000 52094.2007 -109708.1264 299.3861 -161802.3271 -109338.5790 298.7002 -31.5166 -0.2143 760551.2458 -4.5090 -4.5532 LDB: ============= START OF LOAD BALANCING ============== 5752.31 LDB: ============== END OF LOAD BALANCING =============== 5752.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5752.31 LDB: ============= START OF LOAD BALANCING ============== 5752.63 LDB: Largest compute 7034 load 0.035350 is 18.0% of average load 0.195955 LDB: Average compute 0.004405 is 2.2% of average load 0.195955 LDB: TIME 5752.63 LOAD: AVG 0.195955 MAX 0.216334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 5752.63 LOAD: AVG 0.195955 MAX 0.216334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: TIME 5752.63 LOAD: AVG 0.195955 MAX 0.216334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: ============== END OF LOAD BALANCING =============== 5752.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5752.64 PRESSURE: 1820400 122.448 -146.774 47.3082 -146.774 -295.945 140.703 47.3081 140.703 88.2913 GPRESSURE: 1820400 46.1952 -166.626 86.4127 -209.768 -110.092 75.0843 41.202 80.7352 50.8116 PRESSAVG: 1820400 14.0254 -1.38446 -16.1036 -1.38446 -36.643 -11.227 -16.1036 -11.227 18.0931 GPRESSAVG: 1820400 14.9227 -3.39199 -15.1363 -2.44113 -37.5031 -12.3834 -18.1057 -8.59125 18.3126 TIMING: 1820400 CPU: 5740.55, 0.00323398/step Wall: 5740.55, 0.00323398/step, 2.85632 hours remaining, 239.121094 MB of memory in use. ENERGY: 1820400 3957.7935 20415.0525 14451.9804 247.7553 -203264.4329 2521.9217 0.0000 0.0000 52061.1258 -109608.8037 299.1960 -161669.9296 -109220.3566 298.9713 -28.4018 -4.3616 761158.7898 -1.5082 -1.4226 PRESSURE: 1820600 203.789 251.477 -164.388 251.477 167.487 27.8225 -164.387 27.8225 624.015 GPRESSURE: 1820600 286.741 239.689 -137.946 279.474 195.796 45.6185 -295.742 -58.8417 589.14 PRESSAVG: 1820600 -14.2968 7.2591 40.1097 7.25915 26.0693 7.59015 40.1097 7.59017 21.5188 GPRESSAVG: 1820600 -13.3659 8.7101 36.6565 7.41173 26.0671 7.85354 42.9116 6.5339 20.6098 TIMING: 1820600 CPU: 5741.19, 0.00316388/step Wall: 5741.19, 0.00316388/step, 2.79424 hours remaining, 239.582031 MB of memory in use. ENERGY: 1820600 3916.6172 20594.2992 14398.1977 251.9652 -203677.5869 2929.4315 0.0000 0.0000 52101.2414 -109485.8347 299.4266 -161587.0761 -109118.5461 299.1315 331.7637 357.2260 760729.5864 11.0971 11.1037 PRESSURE: 1820800 279.698 -12.7522 213.566 -12.7521 -5.24527 210.288 213.566 210.289 201.272 GPRESSURE: 1820800 336.496 69.1744 201.882 -22.0182 3.28001 223.488 87.5886 207.61 234.945 PRESSAVG: 1820800 -10.6321 38.142 38.0008 38.1419 9.6371 66.2992 38.0008 66.2992 19.6291 GPRESSAVG: 1820800 -10.2401 38.0386 39.9749 36.8834 8.86025 66.4504 34.8948 66.1138 20.2151 TIMING: 1820800 CPU: 5741.81, 0.00314221/step Wall: 5741.81, 0.00314221/step, 2.77492 hours remaining, 239.582031 MB of memory in use. ENERGY: 1820800 3956.7854 20649.0616 14469.8392 254.5329 -202794.4677 2285.8237 0.0000 0.0000 51716.5736 -109461.8513 297.2159 -161178.4249 -109106.7753 299.2692 158.5750 191.5737 761667.2825 6.2114 6.2784 PRESSURE: 1821000 -192.536 128.254 41.8284 128.254 -109.101 23.7891 41.8284 23.7886 24.5035 GPRESSURE: 1821000 -170.671 40.8534 16.2809 72.6759 -105.504 1.66502 122.588 117.199 63.8218 PRESSAVG: 1821000 7.95164 4.94462 35.1562 4.94464 0.362802 30.5295 35.1563 30.5295 -8.56824 GPRESSAVG: 1821000 8.11946 5.6616 34.9555 4.87271 -0.0256314 30.8766 38.3063 31.3114 -8.05462 TIMING: 1821000 CPU: 5742.44, 0.00313486/step Wall: 5742.44, 0.00313487/step, 2.76826 hours remaining, 239.582031 MB of memory in use. ENERGY: 1821000 4000.2395 20520.3732 14405.1789 256.1927 -202900.1578 2088.5130 0.0000 0.0000 52031.3892 -109598.2712 299.0251 -161629.6604 -109225.9780 299.3747 -92.3780 -70.7842 763416.5366 -0.0846 0.0131 PRESSURE: 1821200 218.324 -107.051 -267.586 -107.052 -506.806 -135.99 -267.585 -135.99 -46.1905 GPRESSURE: 1821200 123.908 -124.817 -352.574 -135.601 -355.975 -48.7539 -281.088 -89.7442 -8.18366 PRESSAVG: 1821200 37.723 37.1428 11.3324 37.1428 -20.2801 50.2011 11.3324 50.2011 -18.201 GPRESSAVG: 1821200 35.1249 34.8582 12.1674 37.786 -17.9092 51.5083 9.92361 48.1989 -17.5856 TIMING: 1821200 CPU: 5743.07, 0.00315371/step Wall: 5743.07, 0.00315371/step, 2.78473 hours remaining, 239.582031 MB of memory in use. ENERGY: 1821200 3922.3726 20428.8184 14437.5160 243.7735 -202869.4036 2211.2047 0.0000 0.0000 51973.5906 -109652.1278 298.6929 -161625.7184 -109277.8050 298.8348 -111.5575 -80.0834 762726.3423 -0.2527 -0.1233 PRESSURE: 1821400 -224.5 102.923 -9.32897 102.923 12.93 11.3848 -9.3299 11.3849 -79.4277 GPRESSURE: 1821400 -184.493 110.494 8.3335 113.926 86.5828 -61.4321 -20.6117 24.6142 -110.131 PRESSAVG: 1821400 0.0608555 0.0623136 16.923 0.0623199 -50.3808 30.8153 16.923 30.8152 -6.0481 GPRESSAVG: 1821400 1.4724 1.81449 16.8951 0.118279 -52.1446 30.2764 17.0753 31.5408 -6.07081 TIMING: 1821400 CPU: 5743.7, 0.00315588/step Wall: 5743.7, 0.00315588/step, 2.78647 hours remaining, 239.582031 MB of memory in use. ENERGY: 1821400 4019.4023 20583.5941 14449.0795 239.0864 -203146.8960 2524.4739 0.0000 0.0000 51737.9812 -109593.2786 297.3389 -161331.2598 -109238.1109 298.8657 -96.9993 -69.3470 761432.5993 -18.7894 -18.9143 PRESSURE: 1821600 -79.8538 40.4762 -73.2476 40.4756 218.539 25.7697 -73.2478 25.7697 31.1847 GPRESSURE: 1821600 -61.1318 97.33 8.88334 -76.2544 195.096 -29.3054 -192.53 154.862 108.89 PRESSAVG: 1821600 44.8141 -15.9393 -89.6533 -15.9394 -44.1132 98.7506 -89.6534 98.7506 18.2913 GPRESSAVG: 1821600 45.1171 -15.8751 -89.0414 -16.3924 -44.3832 99.2727 -89.7679 97.9054 18.2981 TIMING: 1821600 CPU: 5744.33, 0.0031407/step Wall: 5744.33, 0.0031407/step, 2.77289 hours remaining, 239.582031 MB of memory in use. ENERGY: 1821600 4003.9467 20438.3007 14446.8998 251.2435 -203362.6552 2531.4745 0.0000 0.0000 52044.2614 -109646.5285 299.0991 -161690.7900 -109285.2966 298.8913 56.6234 80.9511 761442.7925 6.3307 6.3440 PRESSURE: 1821800 9.82137 116.904 -11.2486 116.904 -298.052 92.4109 -11.2489 92.4103 159.865 GPRESSURE: 1821800 -17.2155 67.5985 56.1674 -5.08849 -248.812 65.4721 99.2327 124.479 227.828 PRESSAVG: 1821800 -15.8237 46.7762 13.8514 46.7762 -3.70263 72.7581 13.8514 72.7581 1.72819 GPRESSAVG: 1821800 -15.297 45.8394 13.4698 47.049 -4.10764 70.5622 14.4589 73.8758 0.951389 TIMING: 1821800 CPU: 5744.96, 0.00315801/step Wall: 5744.96, 0.00315801/step, 2.78799 hours remaining, 239.582031 MB of memory in use. ENERGY: 1821800 3903.0374 20575.8114 14457.9709 230.4366 -202862.1454 2271.9180 0.0000 0.0000 51851.0263 -109571.9447 297.9886 -161422.9710 -109210.5391 298.7532 -42.7885 -12.7330 762155.9799 -5.9327 -6.1511 PRESSURE: 1822000 151.017 -104.28 0.220597 -104.28 -510.853 85.0035 0.220204 85.0041 -138.073 GPRESSURE: 1822000 75.6439 -81.8092 -14.839 -164.334 -415.23 68.5254 10.742 -12.5911 -68.7664 PRESSAVG: 1822000 -18.7552 -36.0246 11.6891 -36.0247 -26.8823 37.1134 11.6891 37.1134 -17.2783 GPRESSAVG: 1822000 -19.3192 -35.6211 11.8922 -36.9541 -25.8071 36.4631 10.7136 36.0542 -17.6142 TIMING: 1822000 CPU: 5745.61, 0.00320929/step Wall: 5745.61, 0.00320929/step, 2.83309 hours remaining, 239.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1822000 3939.9514 20414.3983 14327.6276 256.8293 -203265.2490 2514.3497 0.0000 0.0000 52119.7814 -109692.3113 299.5331 -161812.0927 -109334.9718 298.7018 -165.9698 -136.1176 762638.6397 -20.9719 -20.9135 PRESSURE: 1822200 287.418 -72.1327 131.713 -72.1325 -7.943 90.3884 131.713 90.3879 424.447 GPRESSURE: 1822200 306.346 113.035 94.3009 -129.613 75.2091 109.583 86.1634 165.177 391.548 PRESSAVG: 1822200 0.148372 -83.0836 43.4004 -83.0835 -4.16605 42.9107 43.4004 42.9106 18.1034 GPRESSAVG: 1822200 0.383314 -81.8667 41.2489 -82.8373 -3.6138 44.0925 44.1495 43.6551 17.4655 TIMING: 1822200 CPU: 5746.25, 0.00320518/step Wall: 5746.25, 0.00320518/step, 2.82928 hours remaining, 239.582031 MB of memory in use. ENERGY: 1822200 3947.4596 20632.4828 14329.5449 236.4421 -203267.1577 2464.5773 0.0000 0.0000 51971.4627 -109685.1882 298.6807 -161656.6509 -109328.1096 298.9738 234.6405 257.7008 759994.9634 4.6952 4.7450 PRESSURE: 1822400 -68.6699 127.503 110.776 127.502 171.204 -29.5706 110.776 -29.5715 79.6521 GPRESSURE: 1822400 4.94467 66.5828 165.815 150.899 83.8836 -39.6028 239.441 88.573 201.273 PRESSAVG: 1822400 14.2265 -21.3225 12.8221 -21.3225 -30.3544 -2.70064 12.8221 -2.70069 25.1983 GPRESSAVG: 1822400 14.5337 -23.1206 15.2501 -21.1821 -32.0131 -4.38715 12.2664 -2.68243 26.6047 TIMING: 1822400 CPU: 5746.88, 0.00317079/step Wall: 5746.88, 0.00317079/step, 2.79875 hours remaining, 239.582031 MB of memory in use. ENERGY: 1822400 3949.4180 20363.2807 14400.4613 251.6797 -203679.5195 2730.8709 0.0000 0.0000 52142.2250 -109841.5838 299.6621 -161983.8088 -109472.8949 299.0146 60.7286 96.7004 760492.2584 3.0235 3.0418 PRESSURE: 1822600 3.30036 311.742 123.189 311.742 -359.864 68.7796 123.189 68.7801 -330.842 GPRESSURE: 1822600 -10.0049 271.053 161.524 201.978 -308.204 65.3004 -23.6371 52.3764 -264.774 PRESSAVG: 1822600 30.0983 -4.08638 25.8161 -4.08639 -31.8981 3.26644 25.816 3.26629 4.55312 GPRESSAVG: 1822600 29.9842 -5.13672 26.1931 -3.94892 -32.5059 5.35994 26.3497 3.99435 5.41271 TIMING: 1822600 CPU: 5747.51, 0.00315655/step Wall: 5747.51, 0.00315655/step, 2.78601 hours remaining, 239.582031 MB of memory in use. ENERGY: 1822600 4006.9706 20392.4634 14493.1048 231.8644 -203636.1076 2706.0405 0.0000 0.0000 51844.6711 -109960.9929 297.9520 -161805.6639 -109596.5422 298.6753 -229.1353 -194.3278 761023.4048 0.9178 0.9637 PRESSURE: 1822800 -173.132 -56.8486 355.193 -56.8481 30.0456 -97.4795 355.193 -97.4798 4.18406 GPRESSURE: 1822800 -141.459 30.4709 292.983 -122.003 22.083 -117.092 134.882 -196.321 75.2434 PRESSAVG: 1822800 72.7958 13.9212 -1.76859 13.9212 -33.7733 8.86621 -1.76865 8.86618 2.89145 GPRESSAVG: 1822800 72.643 14.8562 -4.67732 14.0657 -32.6866 8.34007 -1.9648 7.26807 2.31776 TIMING: 1822800 CPU: 5748.15, 0.00317986/step Wall: 5748.15, 0.00317986/step, 2.8064 hours remaining, 239.582031 MB of memory in use. ENERGY: 1822800 3886.1208 20321.9175 14425.6678 261.1075 -203380.5064 2504.1584 0.0000 0.0000 52314.3098 -109667.2245 300.6511 -161981.5343 -109295.5404 298.5822 -46.3009 -14.7107 760081.6471 13.9713 14.0914 PRESSURE: 1823000 -14.7253 211.877 7.07073 211.876 -4.71452 40.9418 7.0714 40.943 251.062 GPRESSURE: 1823000 54.0495 105.681 46.2103 147.071 -25.0345 101.631 -73.5543 128.043 301.7 PRESSAVG: 1823000 13.0054 45.1934 -4.61169 45.1933 26.1418 51.327 -4.6117 51.327 24.1331 GPRESSAVG: 1823000 13.9868 46.6582 -2.01436 42.9652 24.9134 49.9962 -8.26803 51.4156 24.0892 TIMING: 1823000 CPU: 5748.78, 0.00317242/step Wall: 5748.78, 0.00317242/step, 2.79966 hours remaining, 239.582031 MB of memory in use. ENERGY: 1823000 3970.1465 20582.0982 14383.1107 236.5367 -203008.6075 2339.9538 0.0000 0.0000 51895.1097 -109601.6519 298.2419 -161496.7616 -109241.0701 299.4672 77.2075 110.2382 758866.6392 21.0934 20.9965 PRESSURE: 1823200 -201.553 -75.4303 45.5529 -75.4299 -279.795 -4.71797 45.5521 -4.71847 95.4655 GPRESSURE: 1823200 -124.854 -80.5398 111.932 77.5609 -204.204 -15.3421 -12.1592 195.589 28.3868 PRESSAVG: 1823200 -35.3008 10.3972 -13.0428 10.3972 37.7674 85.0536 -13.0428 85.0536 -4.98179 GPRESSAVG: 1823200 -35.7043 10.2598 -14.0438 12.4847 37.9634 87.1928 -10.9485 86.3937 -4.20779 TIMING: 1823200 CPU: 5749.42, 0.0031701/step Wall: 5749.42, 0.0031701/step, 2.79744 hours remaining, 239.582031 MB of memory in use. ENERGY: 1823200 4069.8899 20462.8176 14392.4740 248.1091 -203219.8921 2297.7126 0.0000 0.0000 52293.7064 -109455.1825 300.5326 -161748.8889 -109091.6296 299.6271 -128.6276 -100.2240 759584.5894 -0.8384 -0.6496 PRESSURE: 1823400 33.7658 20.0603 136.777 20.0602 -46.3804 279.883 136.777 279.882 298.489 GPRESSURE: 1823400 52.0853 61.7603 72.8241 96.4743 -53.4952 214.181 62.3471 172.51 361.198 PRESSAVG: 1823400 25.0751 8.40689 30.5883 8.40688 8.49862 41.1988 30.5883 41.1988 11.1662 GPRESSAVG: 1823400 24.5913 8.63727 30.2641 7.10344 8.6082 40.6562 31.2641 39.6484 11.7755 TIMING: 1823400 CPU: 5750.05, 0.00316623/step Wall: 5750.05, 0.00316623/step, 2.79384 hours remaining, 239.582031 MB of memory in use. ENERGY: 1823400 4017.2629 20699.5032 14405.5689 231.4230 -203344.7881 2498.4086 0.0000 0.0000 51991.3247 -109501.2968 298.7949 -161492.6215 -109144.1298 300.1009 95.2913 119.9294 759938.8531 14.9133 14.9917 PRESSURE: 1823600 208.787 -147.595 -286.802 -147.595 118.949 374.259 -286.803 374.26 -283.121 GPRESSURE: 1823600 273.678 -212.981 -196.881 -91.6669 172.015 274.694 -309.78 345.497 -304.463 PRESSAVG: 1823600 34.0582 17.0749 40.3811 17.0748 -25.1144 58.8454 40.3811 58.8455 9.04298 GPRESSAVG: 1823600 34.0665 15.7312 40.7105 17.3829 -24.4696 57.9085 39.4608 57.352 8.34643 TIMING: 1823600 CPU: 5750.68, 0.00316693/step Wall: 5750.68, 0.00316693/step, 2.79429 hours remaining, 239.582031 MB of memory in use. ENERGY: 1823600 3996.0674 20553.7228 14471.0961 251.8984 -203793.6191 2811.0700 0.0000 0.0000 52183.5521 -109526.2123 299.8996 -161709.7644 -109164.9497 299.5961 14.8715 47.0769 759971.3031 5.9956 5.9811 PRESSURE: 1823800 -51.2197 -1.69772 85.3227 -1.69803 46.3006 -255.788 85.3233 -255.788 -565.783 GPRESSURE: 1823800 -16.1208 -0.321926 143.698 43.8459 48.4335 -206.342 51.0162 -130.651 -526.606 PRESSAVG: 1823800 1.68885 5.19985 1.46285 5.19994 -31.2538 68.7661 1.4628 68.7661 -10.4273 GPRESSAVG: 1823800 2.51967 6.09396 0.814669 4.82377 -30.8737 67.3374 1.97722 73.222 -11.0564 TIMING: 1823800 CPU: 5751.32, 0.0031748/step Wall: 5751.32, 0.0031748/step, 2.80106 hours remaining, 239.582031 MB of memory in use. ENERGY: 1823800 3995.1633 20531.4611 14451.1194 233.4626 -203145.1409 2304.2877 0.0000 0.0000 51965.9173 -109663.7296 298.6488 -161629.6469 -109306.0238 299.1237 -190.2341 -164.7644 761571.4948 -13.3307 -13.1368 PRESSURE: 1824000 -90.7532 -148.076 62.2772 -148.076 115.152 75.2665 62.2773 75.2669 -309.436 GPRESSURE: 1824000 -127.892 -173.185 75.0435 -159.34 146.362 -1.89114 52.3692 -13.121 -215.132 PRESSAVG: 1824000 35.328 -30.9133 36.1927 -30.9133 33.1573 33.0896 36.1927 33.0896 10.5535 GPRESSAVG: 1824000 35.0149 -30.3624 38.0596 -32.25 34.3542 34.3197 36.9332 29.008 9.71463 TIMING: 1824000 CPU: 5751.96, 0.00319472/step Wall: 5751.96, 0.00319472/step, 2.81845 hours remaining, 239.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1824000 3885.6086 20362.9077 14363.3887 253.2081 -203432.7274 2513.5401 0.0000 0.0000 52100.3624 -109953.7118 299.4215 -162054.0742 -109586.7227 298.9588 -95.0124 -65.5543 760309.3993 26.3463 26.3612 PRESSURE: 1824200 -158.771 203.374 14.0357 203.375 147.421 51.8683 14.0352 51.8682 -46.6948 GPRESSURE: 1824200 -45.049 183.008 74.678 147.544 183.535 -6.65388 -39.57 79.5547 -94.658 PRESSAVG: 1824200 -6.80215 21.0557 17.1408 21.0556 -58.8646 51.681 17.1408 51.6811 6.73155 GPRESSAVG: 1824200 -7.2577 19.3758 15.3968 21.8517 -60.6607 50.8756 16.9918 53.4218 8.20566 TIMING: 1824200 CPU: 5752.59, 0.00316683/step Wall: 5752.59, 0.00316683/step, 2.79368 hours remaining, 239.582031 MB of memory in use. ENERGY: 1824200 4019.1056 20379.8230 14394.7125 256.9733 -203705.1977 2764.1062 0.0000 0.0000 51984.6950 -109905.7821 298.7568 -161890.4771 -109545.4675 298.7900 -19.3480 14.6092 759770.8787 -19.6451 -19.9042 LDB: ============= START OF LOAD BALANCING ============== 5764.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5764.99 LDB: =============== DONE WITH MIGRATION ================ 5764.99 LDB: ============= START OF LOAD BALANCING ============== 5765.31 LDB: Largest compute 7034 load 0.036184 is 18.5% of average load 0.195806 LDB: Average compute 0.004396 is 2.2% of average load 0.195806 LDB: TIME 5765.31 LOAD: AVG 0.195806 MAX 0.21533 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 5765.31 LOAD: AVG 0.195806 MAX 0.21533 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 5765.31 LOAD: AVG 0.195806 MAX 0.21533 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 5765.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5765.32 PRESSURE: 1824400 -261.083 -158.196 119.265 -158.196 -36.4749 125.993 119.264 125.992 -117.4 GPRESSURE: 1824400 -152.598 -167.284 124.861 -23.3156 -21.3068 141.387 73.2426 243.916 -153.659 PRESSAVG: 1824400 69.9035 0.902377 64.6358 0.902349 -75.8781 -32.5283 64.6357 -32.5283 -3.09141 GPRESSAVG: 1824400 71.3678 1.45089 65.5149 3.69313 -76.3797 -30.6611 63.334 -32.8997 -4.11767 TIMING: 1824400 CPU: 5753.24, 0.00322621/step Wall: 5753.24, 0.00322621/step, 2.84587 hours remaining, 237.636719 MB of memory in use. ENERGY: 1824400 4017.8675 20445.0014 14368.9014 252.8887 -203486.3009 2612.4196 0.0000 0.0000 51804.7338 -109984.4885 297.7225 -161789.2223 -109626.0457 298.7455 -138.3195 -109.1879 761178.0636 -3.0220 -3.0432 PRESSURE: 1824600 50.6801 -93.2291 40.2611 -93.2287 -117.398 -109.236 40.2617 -109.236 -244.131 GPRESSURE: 1824600 -35.1685 -109.332 18.8408 -11.6118 -26.9638 -39.4047 48.6095 -136.222 -185.305 PRESSAVG: 1824600 -29.7747 19.994 74.9578 19.994 20.6581 0.789594 74.9578 0.789602 10.7968 GPRESSAVG: 1824600 -31.0021 22.2052 75.2141 17.6329 21.9129 1.6175 74.9024 1.40869 10.8038 TIMING: 1824600 CPU: 5753.87, 0.00318871/step Wall: 5753.87, 0.00318871/step, 2.81262 hours remaining, 237.839844 MB of memory in use. ENERGY: 1824600 3952.5794 20482.5274 14352.7788 256.6170 -203466.4743 2427.6628 0.0000 0.0000 52008.2330 -109986.0759 298.8920 -161994.3089 -109616.0094 298.6254 -103.6161 -82.4792 760090.1029 0.5601 0.5716 PRESSURE: 1824800 -183.616 113.429 174.862 113.429 -262.407 13.1866 174.862 13.1869 -407.996 GPRESSURE: 1824800 -143.163 61.1411 96.6309 2.20002 -273.69 -28.9515 222.382 20.4969 -333.235 PRESSAVG: 1824800 44.8951 -35.9259 34.1767 -35.9258 -44.205 8.76845 34.1767 8.76838 -5.25181 GPRESSAVG: 1824800 45.0528 -37.1904 33.2501 -33.5478 -45.0016 7.39349 35.4803 8.46502 -4.97141 TIMING: 1824800 CPU: 5754.51, 0.00320145/step Wall: 5754.51, 0.00320145/step, 2.82368 hours remaining, 237.839844 MB of memory in use. ENERGY: 1824800 4040.2646 20507.4318 14416.6151 239.1158 -203227.1195 2230.2327 0.0000 0.0000 51879.3170 -109914.1424 298.1511 -161793.4593 -109545.0477 299.0401 -284.6733 -250.0294 760459.6600 -1.5206 -1.6401 PRESSURE: 1825000 214.502 59.9264 273.758 59.9261 138.88 269.677 273.758 269.677 -49.0602 GPRESSURE: 1825000 293.089 67.3966 276.482 -71.1976 129.962 243.24 190.789 115.279 -15.0433 PRESSAVG: 1825000 19.808 18.2019 54.8292 18.2019 -26.5473 64.5849 54.8292 64.5849 16.7926 GPRESSAVG: 1825000 19.9554 18.1868 55.8449 17.6698 -26.4094 61.7674 52.9563 64.9031 16.8165 TIMING: 1825000 CPU: 5755.15, 0.0031779/step Wall: 5755.15, 0.0031779/step, 2.80273 hours remaining, 237.839844 MB of memory in use. ENERGY: 1825000 3957.3581 20660.0977 14381.4286 233.5484 -203379.4804 2416.7744 0.0000 0.0000 51999.9021 -109730.3712 298.8442 -161730.2733 -109367.8584 298.9136 101.4407 136.0027 760459.9939 3.3511 3.4542 PRESSURE: 1825200 197.732 97.7857 -187.924 97.7857 -133.342 -74.6294 -187.923 -74.6305 111.534 GPRESSURE: 1825200 173.325 11.1898 -257.007 63.4569 -48.4467 -125.938 -192.527 2.6611 115.491 PRESSAVG: 1825200 85.7527 16.079 67.1771 16.079 -39.9081 -9.94278 67.177 -9.94277 0.726432 GPRESSAVG: 1825200 85.3392 13.3524 65.9378 16.0977 -39.534 -6.43893 67.7713 -11.9897 0.545901 TIMING: 1825200 CPU: 5755.78, 0.00314315/step Wall: 5755.78, 0.00314315/step, 2.77191 hours remaining, 237.839844 MB of memory in use. ENERGY: 1825200 4000.6754 20718.8576 14399.3926 240.6219 -203640.0784 2709.8827 0.0000 0.0000 51808.9839 -109761.6644 297.7469 -161570.6482 -109394.9937 299.3280 58.6414 80.1234 759102.3860 15.5237 15.4504 PRESSURE: 1825400 348.743 -85.7023 8.85223 -85.7013 269.429 -15.5922 8.85266 -15.5923 -143.918 GPRESSURE: 1825400 354.009 15.3594 98.7869 -142.513 344.872 -43.8505 -116.06 7.76498 -153.868 PRESSAVG: 1825400 63.8889 19.0837 3.06998 19.0838 -30.5112 -30.6853 3.07002 -30.6852 7.11495 GPRESSAVG: 1825400 63.2441 22.2957 3.68655 16.9308 -29.5621 -32.4409 2.82936 -29.0459 6.97304 TIMING: 1825400 CPU: 5756.41, 0.0031527/step Wall: 5756.41, 0.0031527/step, 2.78016 hours remaining, 237.839844 MB of memory in use. ENERGY: 1825400 3955.1073 20581.5193 14410.7648 238.3693 -203583.9305 2740.4492 0.0000 0.0000 51943.9929 -109713.7277 298.5228 -161657.7206 -109340.3441 299.1969 158.0848 181.6710 761486.9215 13.4975 13.5517 PRESSURE: 1825600 225.342 -181.841 -8.61249 -181.84 -108.912 -5.56103 -8.61184 -5.56112 209.45 GPRESSURE: 1825600 234.385 29.8968 -77.0059 -118.667 -66.815 4.47678 -9.23158 -31.4575 244.847 PRESSAVG: 1825600 29.7257 9.38007 -23.7923 9.38013 -28.1029 -5.11671 -23.7922 -5.11671 2.30172 GPRESSAVG: 1825600 30.891 7.80297 -25.0942 11.6796 -29.4665 -4.12555 -24.0146 -4.55515 2.48368 TIMING: 1825600 CPU: 5757.04, 0.00315926/step Wall: 5757.04, 0.00315926/step, 2.78576 hours remaining, 237.839844 MB of memory in use. ENERGY: 1825600 3997.7424 20723.0352 14371.6225 247.0207 -203505.0962 2525.1400 0.0000 0.0000 52103.8248 -109536.7106 299.4414 -161640.5353 -109171.8518 299.3506 108.6269 137.4724 760085.3761 1.3082 1.3027 PRESSURE: 1825800 20.9974 -37.5683 241.22 -37.5673 -0.737859 89.5626 241.22 89.5626 -112.585 GPRESSURE: 1825800 82.5091 56.127 276.802 -66.7793 -72.2978 76.488 -25.0107 230.812 -21.2572 PRESSAVG: 1825800 -18.4384 14.2311 9.4012 14.2311 -1.75588 15.3618 9.40124 15.3618 -27.4856 GPRESSAVG: 1825800 -18.4446 13.4999 10.6925 14.2182 -2.09164 15.569 8.10863 14.7189 -27.5812 TIMING: 1825800 CPU: 5757.67, 0.00315941/step Wall: 5757.67, 0.00315941/step, 2.78572 hours remaining, 237.839844 MB of memory in use. ENERGY: 1825800 4004.0646 20712.1692 14363.5021 225.9303 -203020.7767 2288.9059 0.0000 0.0000 51853.4469 -109572.7577 298.0025 -161426.2046 -109210.1964 298.8968 -30.7751 -3.6820 761267.6553 -15.8933 -16.0392 PRESSURE: 1826000 65.1713 127.191 91.6454 127.191 110.509 -58.6278 91.6457 -58.6271 -52.0982 GPRESSURE: 1826000 128.03 217.002 116.119 93.1723 129.824 -49.8249 98.922 -24.4754 -39.8742 PRESSAVG: 1826000 -16.3036 25.641 14.3897 25.641 34.1344 12.5161 14.3897 12.516 7.0119 GPRESSAVG: 1826000 -16.9456 25.3354 14.0532 26.6397 35.5665 11.9106 16.0567 11.3762 6.38038 TIMING: 1826000 CPU: 5758.31, 0.00317336/step Wall: 5758.31, 0.00317336/step, 2.79784 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1826000 3979.8040 20471.5366 14446.9471 231.8615 -202904.0302 2309.7532 0.0000 0.0000 52041.7011 -109422.4267 299.0844 -161464.1278 -109054.4579 299.0948 41.1941 72.6600 760931.8307 8.2809 8.3338 PRESSURE: 1826200 -47.1043 -137.597 -110.419 -137.596 -173.409 -21.4986 -110.419 -21.4983 -130.643 GPRESSURE: 1826200 -7.05447 4.63761 -76.5411 -187.781 -127.742 -19.8957 -152.591 109.618 -136.559 PRESSAVG: 1826200 9.41722 2.53338 -0.609302 2.53336 33.0532 38.0797 -0.609291 38.0797 10.9773 GPRESSAVG: 1826200 9.4305 4.67147 0.636754 -0.829551 32.7795 38.3075 -0.0617357 38.1557 11.5004 TIMING: 1826200 CPU: 5758.94, 0.00316322/step Wall: 5758.94, 0.00316322/step, 2.78873 hours remaining, 237.839844 MB of memory in use. ENERGY: 1826200 4014.0389 20582.3116 14384.4451 255.4031 -203662.2838 2746.8361 0.0000 0.0000 52010.8590 -109668.3901 298.9071 -161679.2491 -109313.6418 299.5621 -117.0521 -90.4519 760246.6569 17.8159 17.9035 PRESSURE: 1826400 -158.493 64.4968 191.675 64.4966 -412.069 -199.637 191.674 -199.637 -256.794 GPRESSURE: 1826400 -115.302 103.27 134.575 29.3012 -345.127 -98.2171 166.243 -130.82 -255.866 PRESSAVG: 1826400 6.98631 92.9872 5.55711 92.9871 -64.6734 56.7038 5.55713 56.7038 13.382 GPRESSAVG: 1826400 5.44082 91.2983 4.57543 93.313 -62.8264 58.6868 5.25305 57.6392 13.2534 TIMING: 1826400 CPU: 5759.58, 0.00320507/step Wall: 5759.58, 0.00320507/step, 2.82545 hours remaining, 237.839844 MB of memory in use. ENERGY: 1826400 3994.3126 20537.2110 14372.3269 243.5060 -203449.3244 2307.0249 0.0000 0.0000 52208.3644 -109786.5786 300.0422 -161994.9430 -109415.7764 299.2522 -275.7853 -238.7649 761446.6458 -14.7684 -14.7107 PRESSURE: 1826600 87.7111 78.6707 -53.1421 78.6702 150.136 -22.5504 -53.1416 -22.5513 -193.892 GPRESSURE: 1826600 47.0615 -19.5961 -45.3469 120.473 210.158 -63.4911 103.074 31.7947 -141.715 PRESSAVG: 1826600 12.1806 35.0042 97.019 35.0043 6.00729 11.8425 97.019 11.8425 -20.6873 GPRESSAVG: 1826600 13.3869 36.1474 97.6902 38.2324 4.17241 9.06087 96.1748 12.058 -19.8078 TIMING: 1826600 CPU: 5760.22, 0.00320382/step Wall: 5760.22, 0.00320382/step, 2.82417 hours remaining, 237.839844 MB of memory in use. ENERGY: 1826600 4036.4704 20459.1015 14436.9952 235.8959 -203457.2384 2566.9930 0.0000 0.0000 51980.6173 -109741.1651 298.7333 -161721.7824 -109373.1230 299.0806 14.6519 38.5015 762259.8691 -0.8331 -0.7495 PRESSURE: 1826800 -173.959 14.5045 313.622 14.5037 -171.744 355.396 313.621 355.396 -568.518 GPRESSURE: 1826800 -207.204 -194.555 288.481 -114.78 -28.8284 381.329 287.101 258.589 -590.338 PRESSAVG: 1826800 -57.7665 -24.3449 -31.2914 -24.345 15.3707 45.0602 -31.2913 45.0603 28.0785 GPRESSAVG: 1826800 -57.7091 -25.2693 -31.3573 -26.595 15.8597 46.0505 -31.4326 43.2958 27.1547 TIMING: 1826800 CPU: 5760.86, 0.00319039/step Wall: 5760.86, 0.00319039/step, 2.81215 hours remaining, 237.839844 MB of memory in use. ENERGY: 1826800 3944.3344 20508.8465 14421.1439 239.3527 -203126.2428 2411.4844 0.0000 0.0000 51721.2995 -109879.7813 297.2430 -161601.0808 -109507.1323 298.7958 -304.7403 -275.4568 763244.6838 -4.7724 -4.8982 PRESSURE: 1827000 -460.031 -168.716 163.684 -168.717 -147.269 62.5593 163.684 62.5583 96.6633 GPRESSURE: 1827000 -418.057 -212.805 183.815 -157.813 -98.3518 -27.3572 47.2576 105.462 111.334 PRESSAVG: 1827000 -5.64849 14.96 -8.52658 14.96 13.8158 32.0162 -8.52657 32.0162 9.73966 GPRESSAVG: 1827000 -5.42311 13.6047 -10.2194 17.5381 13.9312 30.4462 -9.99067 33.8783 9.54607 TIMING: 1827000 CPU: 5761.49, 0.00317446/step Wall: 5761.49, 0.00317446/step, 2.79793 hours remaining, 237.839844 MB of memory in use. ENERGY: 1827000 3903.8182 20548.0823 14479.8994 250.3223 -203503.4117 2490.1647 0.0000 0.0000 51992.0520 -109839.0728 298.7990 -161831.1248 -109468.9578 298.5817 -170.2121 -135.0248 762053.5896 5.9690 6.0180 PRESSURE: 1827200 -16.7109 -147.489 -75.3646 -147.49 10.4308 193.165 -75.3643 193.166 61.8469 GPRESSURE: 1827200 -33.3508 0.647313 -58.202 -138.751 49.3468 129.299 17.0813 106.795 124.838 PRESSAVG: 1827200 15.508 -40.9363 53.4218 -40.9363 -21.0024 9.675 53.4218 9.67509 8.13598 GPRESSAVG: 1827200 14.9435 -40.4154 54.6772 -41.3959 -19.6654 9.58596 55.6989 7.68145 7.40108 TIMING: 1827200 CPU: 5762.14, 0.00321479/step Wall: 5762.14, 0.00321479/step, 2.8333 hours remaining, 237.839844 MB of memory in use. ENERGY: 1827200 4059.1786 20428.0737 14325.0399 238.1174 -203294.6111 2389.1989 0.0000 0.0000 52220.0229 -109634.9796 300.1092 -161855.0025 -109283.2367 298.9987 18.5223 46.9446 761198.1194 0.8805 0.8931 PRESSURE: 1827400 2.23704 -70.3786 141.496 -70.3789 367.709 111.759 141.495 111.759 224.443 GPRESSURE: 1827400 61.1587 -92.6087 39.6749 -216.296 357.243 121.225 89.4744 148.211 257.091 PRESSAVG: 1827400 2.104 -47.5277 32.24 -47.5277 27.129 89.3552 32.24 89.3552 19.9548 GPRESSAVG: 1827400 3.04037 -48.4458 32.517 -48.817 25.5934 91.7641 30.6982 89.8142 21.0998 TIMING: 1827400 CPU: 5762.77, 0.00318967/step Wall: 5762.77, 0.00318967/step, 2.81098 hours remaining, 237.839844 MB of memory in use. ENERGY: 1827400 4004.7004 20563.0089 14456.1911 243.3113 -203425.2255 2607.7049 0.0000 0.0000 51904.7731 -109645.5359 298.2974 -161550.3090 -109281.1543 299.2666 198.1298 225.1644 760338.4794 16.3959 16.5779 PRESSURE: 1827600 354.632 78.0377 -281.033 78.0372 136.15 6.20951 -281.032 6.20894 -100.7 GPRESSURE: 1827600 312.196 77.6431 -385.635 91.8679 150.663 4.06336 -174.953 -7.92111 9.49518 PRESSAVG: 1827600 15.7818 -37.7742 66.6828 -37.7742 0.720816 57.7665 66.6828 57.7665 -11.5236 GPRESSAVG: 1827600 15.7011 -35.5546 63.3221 -38.7714 1.6435 57.5037 69.145 55.9806 -12.4302 TIMING: 1827600 CPU: 5763.41, 0.00318511/step Wall: 5763.41, 0.00318511/step, 2.80679 hours remaining, 237.839844 MB of memory in use. ENERGY: 1827600 3938.1349 20390.9375 14383.0363 246.6144 -203568.9046 2713.7244 0.0000 0.0000 52258.4071 -109638.0500 300.3298 -161896.4571 -109274.3066 299.1200 130.0274 157.4515 761317.7212 1.6597 1.6381 PRESSURE: 1827800 -181.899 161.428 -49.5143 161.427 77.5145 -51.2809 -49.514 -51.2814 545.301 GPRESSURE: 1827800 -182.152 158.639 -91.7624 65.1298 194.46 6.18853 -38.2271 -63.4355 526.582 PRESSAVG: 1827800 37.0709 13.9728 34.6311 13.9728 0.898345 -0.335784 34.6311 -0.335712 1.45931 GPRESSAVG: 1827800 37.4784 13.7919 38.1302 14.7706 1.27946 0.469101 34.0158 2.86388 0.827942 TIMING: 1827800 CPU: 5764.05, 0.00318329/step Wall: 5764.05, 0.00318329/step, 2.80501 hours remaining, 237.839844 MB of memory in use. ENERGY: 1827800 3940.7499 20588.2302 14482.0452 260.3396 -203177.0397 2544.3012 0.0000 0.0000 52000.5720 -109360.8017 298.8480 -161361.3737 -109013.8461 299.3394 146.9723 179.6299 762168.5774 13.1428 13.1953 PRESSURE: 1828000 123.68 148.646 235.12 148.646 -105.397 92.5444 235.12 92.5438 -98.6205 GPRESSURE: 1828000 53.7293 -18.9334 230.362 178.709 32.9917 48.4771 233.532 18.8291 -88.4348 PRESSAVG: 1828000 -18.6942 -16.9789 -4.35793 -16.9789 55.6878 0.287195 -4.35795 0.287303 10.5152 GPRESSAVG: 1828000 -20.1954 -17.9859 -6.31 -17.0197 55.7262 -0.765912 -3.10845 -2.53593 11.9434 TIMING: 1828000 CPU: 5764.69, 0.00318462/step Wall: 5764.69, 0.00318462/step, 2.806 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1828000 3929.0862 20552.2913 14420.2720 240.9019 -203089.4638 2342.4793 0.0000 0.0000 52139.1461 -109465.2870 299.6444 -161604.4331 -109095.5392 299.5015 -26.7793 -0.5713 761073.2220 15.8362 15.8247 PRESSURE: 1828200 262.886 -144.527 -86.9558 -144.527 83.912 -162.968 -86.9563 -162.969 269.87 GPRESSURE: 1828200 248.171 -168.608 12.3456 -131.42 170.323 -175.302 -80.3474 -112.726 274.451 PRESSAVG: 1828200 40.4886 -46.8222 30.2075 -46.8222 -2.30219 -43.227 30.2075 -43.227 20.0234 GPRESSAVG: 1828200 41.5202 -49.106 31.0705 -44.324 -2.08258 -43.1907 30.311 -41.3293 18.7192 TIMING: 1828200 CPU: 5765.33, 0.00322123/step Wall: 5765.33, 0.00322123/step, 2.83808 hours remaining, 237.839844 MB of memory in use. ENERGY: 1828200 3906.2240 20564.3260 14470.9473 269.5770 -203236.5444 2518.6772 0.0000 0.0000 52100.4473 -109406.3457 299.4220 -161506.7930 -109041.9221 299.6491 205.5558 230.9816 760209.0126 19.4033 19.3856 LDB: ============= START OF LOAD BALANCING ============== 5777.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5777.74 LDB: =============== DONE WITH MIGRATION ================ 5777.74 LDB: ============= START OF LOAD BALANCING ============== 5778.06 LDB: Largest compute 7034 load 0.035179 is 18.0% of average load 0.195809 LDB: Average compute 0.004401 is 2.2% of average load 0.195809 LDB: TIME 5778.06 LOAD: AVG 0.195809 MAX 0.215717 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 5778.06 LOAD: AVG 0.195809 MAX 0.215717 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 5778.06 LOAD: AVG 0.195809 MAX 0.215717 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 5778.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5778.07 PRESSURE: 1828400 -291.443 -302.785 -193.528 -302.785 -241.958 -313.831 -193.529 -313.832 -526.495 GPRESSURE: 1828400 -264.933 -389.949 -192.154 -336.678 -213.384 -271.446 -263.789 -246.961 -503.495 PRESSAVG: 1828400 32.5474 31.6806 -30.3881 31.6805 35.542 -7.09017 -30.3881 -7.09006 4.3828 GPRESSAVG: 1828400 32.8065 33.992 -30.4646 29.5586 33.7924 -6.66149 -32.5172 -7.78062 5.79086 TIMING: 1828400 CPU: 5765.99, 0.00329465/step Wall: 5765.99, 0.00329465/step, 2.90258 hours remaining, 240.523438 MB of memory in use. ENERGY: 1828400 4071.9684 20492.6597 14490.0247 239.8509 -203262.9712 2575.8326 0.0000 0.0000 51915.1359 -109477.4990 298.3570 -161392.6349 -109108.9514 299.5761 -353.2988 -327.2707 761245.6315 24.1574 24.1299 PRESSURE: 1828600 247.653 -41.2666 168.578 -41.2665 402.439 9.34504 168.578 9.34593 74.2529 GPRESSURE: 1828600 304.211 -18.2444 155.121 24.6057 396.083 85.5083 104.242 -58.6589 111.845 PRESSAVG: 1828600 19.5234 -35.9824 27.194 -35.9825 -5.60057 8.07579 27.194 8.07569 9.71123 GPRESSAVG: 1828600 19.7522 -36.4328 27.416 -34.9904 -4.7767 6.84425 28.2326 10.0997 8.4174 TIMING: 1828600 CPU: 5766.63, 0.00319875/step Wall: 5766.63, 0.00319875/step, 2.81792 hours remaining, 240.726562 MB of memory in use. ENERGY: 1828600 3983.4151 20486.5459 14426.3244 252.2707 -204007.1663 3030.7569 0.0000 0.0000 52190.0227 -109637.8306 299.9368 -161827.8533 -109270.5228 299.1140 241.4483 270.7129 761143.5446 7.8780 7.7976 PRESSURE: 1828800 33.1571 222.502 8.70106 222.501 245.628 -68.6676 8.70213 -68.6682 -256.869 GPRESSURE: 1828800 -2.25285 82.1553 6.4039 149.98 368.464 -4.12362 7.68938 -256.677 -249.179 PRESSAVG: 1828800 56.0007 11.1963 30.0058 11.1963 2.83487 13.9974 30.0059 13.9974 -0.753238 GPRESSAVG: 1828800 55.3662 11.2393 30.9845 12.1921 3.1929 13.7354 29.9029 11.7747 -0.593827 TIMING: 1828800 CPU: 5767.28, 0.00323816/step Wall: 5767.28, 0.00323816/step, 2.85246 hours remaining, 240.726562 MB of memory in use. ENERGY: 1828800 3920.8313 20501.8782 14349.3704 231.2139 -203408.7041 2493.2936 0.0000 0.0000 52238.4772 -109673.6395 300.2152 -161912.1167 -109314.8006 299.4928 7.3055 39.0105 759332.3099 19.3608 19.3217 PRESSURE: 1829000 -72.6707 -122.154 274.894 -122.155 -229.214 -2.40331 274.894 -2.40355 -62.1821 GPRESSURE: 1829000 -81.4331 -174.243 328.903 -132.767 -137.932 -45.4015 229.477 57.2064 -48.571 PRESSAVG: 1829000 -35.363 34.27 50.0197 34.27 -15.8118 39.9175 50.0198 39.9175 -5.28853 GPRESSAVG: 1829000 -34.2062 34.3568 47.4965 33.1276 -16.4122 41.8113 50.6382 39.829 -5.42062 TIMING: 1829000 CPU: 5767.92, 0.0031997/step Wall: 5767.92, 0.0031997/step, 2.8184 hours remaining, 240.726562 MB of memory in use. ENERGY: 1829000 3934.7665 20474.2332 14463.5644 254.4906 -203026.1349 2253.6499 0.0000 0.0000 51965.7241 -109679.7061 298.6477 -161645.4302 -109331.6775 298.8940 -121.3555 -89.3120 760266.8503 -18.8211 -18.6797 PRESSURE: 1829200 -93.6823 -34.5644 -76.2806 -34.5647 302.685 27.9156 -76.2805 27.9153 133.375 GPRESSURE: 1829200 -37.2632 -41.9555 -145.608 91.8404 261.611 63.2322 67.517 36.212 206.197 PRESSAVG: 1829200 18.2625 82.867 -19.4384 82.867 -1.88939 0.936049 -19.4384 0.935919 16.2441 GPRESSAVG: 1829200 17.894 83.1472 -19.2877 82.4515 -2.70996 0.844536 -20.2298 -0.16255 16.8194 TIMING: 1829200 CPU: 5768.56, 0.00319798/step Wall: 5768.56, 0.00319798/step, 2.81671 hours remaining, 240.726562 MB of memory in use. ENERGY: 1829200 3931.4085 20314.8927 14459.4610 243.9626 -203609.9816 2834.6098 0.0000 0.0000 52190.9068 -109634.7403 299.9419 -161825.6470 -109282.5712 299.0034 114.1256 143.5149 761013.7234 10.8724 10.6678 PRESSURE: 1829400 172.468 -54.7697 -10.6717 -54.7697 -168.67 159.378 -10.6705 159.378 193.122 GPRESSURE: 1829400 228.31 -61.3263 47.4569 7.3429 -99.5008 180.427 8.84241 212.64 152.013 PRESSAVG: 1829400 48.5365 35.031 16.6817 35.0311 -20.3714 10.1507 16.6817 10.1507 -9.3333 GPRESSAVG: 1829400 49.1933 33.8534 15.3619 36.819 -19.1265 9.27576 17.1861 10.3813 -10.9295 TIMING: 1829400 CPU: 5769.2, 0.00320813/step Wall: 5769.2, 0.00320813/step, 2.82547 hours remaining, 240.726562 MB of memory in use. ENERGY: 1829400 3925.3699 20465.0216 14359.4294 274.3984 -203498.3552 2592.3504 0.0000 0.0000 52063.7346 -109818.0509 299.2110 -161881.7855 -109451.0383 298.7888 65.6403 93.6072 759460.0301 6.2772 6.3791 PRESSURE: 1829600 -32.2285 72.48 168.302 72.4804 6.39996 37.4742 168.302 37.4742 -207.838 GPRESSURE: 1829600 -29.2471 43.1346 160.093 100.727 13.4494 75.4876 226.584 88.2419 -134.16 PRESSAVG: 1829600 42.0988 70.814 61.545 70.814 -51.1162 32.0291 61.545 32.029 2.48921 GPRESSAVG: 1829600 40.7544 69.9659 62.752 71.0115 -51.182 32.8752 59.9423 31.1945 3.62015 TIMING: 1829600 CPU: 5769.84, 0.0032017/step Wall: 5769.84, 0.0032017/step, 2.81963 hours remaining, 240.726562 MB of memory in use. ENERGY: 1829600 3919.8315 20315.1982 14391.5190 238.4509 -202956.4061 2263.6510 0.0000 0.0000 51983.7379 -109844.0176 298.7513 -161827.7555 -109486.7732 299.2422 -77.8888 -49.9859 760876.7245 -2.1761 -2.2692 PRESSURE: 1829800 94.3289 -167.468 237.847 -167.467 231.288 73.3307 237.847 73.3304 -258.989 GPRESSURE: 1829800 177.971 -146.685 260.633 -169.663 196.284 1.01653 209.9 79.16 -232.251 PRESSAVG: 1829800 41.7203 -21.293 -21.5345 -21.293 -38.2222 -6.33567 -21.5345 -6.33572 -13.6946 GPRESSAVG: 1829800 41.7986 -17.7469 -20.095 -23.2438 -39.4038 -7.43383 -20.7321 -4.83043 -12.9924 TIMING: 1829800 CPU: 5770.47, 0.00315201/step Wall: 5770.47, 0.00315201/step, 2.77569 hours remaining, 240.726562 MB of memory in use. ENERGY: 1829800 3807.4341 20522.1709 14366.2300 228.7080 -203653.6112 2451.5506 0.0000 0.0000 52273.4261 -110004.0916 300.4161 -162277.5177 -109636.6677 298.3341 22.2093 47.3348 760780.8315 -3.3988 -3.5325 PRESSURE: 1830000 -425.545 -129.109 116.831 -129.109 -71.6525 93.5838 116.831 93.5833 -131.443 GPRESSURE: 1830000 -381.189 -135.75 175.358 -90.8962 -43.9422 151.658 93.7128 25.4941 -119.601 PRESSAVG: 1830000 12.5327 8.07397 22.9356 8.07403 20.2774 0.555992 22.9357 0.556107 0.362993 GPRESSAVG: 1830000 13.831 4.33111 22.2871 11.2435 21.3778 1.80977 22.2218 1.72263 -1.84877 TIMING: 1830000 CPU: 5771.1, 0.00315156/step Wall: 5771.1, 0.00315156/step, 2.77512 hours remaining, 240.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1830000 3990.2301 20405.9578 14460.4062 237.1130 -203779.8983 2599.6711 0.0000 0.0000 52022.8327 -110063.6876 298.9759 -162086.5203 -109703.5379 298.5354 -209.5468 -181.5775 761008.0561 11.0577 11.1200 PRESSURE: 1830200 182.948 438.28 -337.405 438.28 90.4459 147.78 -337.405 147.781 120.034 GPRESSURE: 1830200 149.929 380.08 -340.31 289.459 183.538 103.526 -247.228 95.4306 149.894 PRESSAVG: 1830200 -44.0623 1.81034 -28.9442 1.81035 47.348 -14.0464 -28.9442 -14.0464 4.70494 GPRESSAVG: 1830200 -46.7229 2.97588 -29.0262 0.444665 46.9978 -15.2684 -26.8087 -12.5284 7.34736 TIMING: 1830200 CPU: 5771.73, 0.00318276/step Wall: 5771.73, 0.00318276/step, 2.80242 hours remaining, 240.726562 MB of memory in use. ENERGY: 1830200 3933.7668 20468.8768 14396.8980 277.1195 -203738.1147 2765.7563 0.0000 0.0000 52096.4725 -109799.2248 299.3991 -161895.6973 -109439.5980 298.5260 131.1425 161.1204 761005.9378 2.6636 2.5408 PRESSURE: 1830400 -219.176 81.7931 -280.626 81.7923 -90.1658 -72.0176 -280.627 -72.0178 -70.6582 GPRESSURE: 1830400 -192.196 24.2084 -262.186 122.419 -73.2349 -63.1659 -242.002 -44.7925 -18.5634 PRESSAVG: 1830400 11.563 -8.68919 -19.9732 -8.68929 -41.6822 -29.6027 -19.9733 -29.6026 22.2509 GPRESSAVG: 1830400 12.7919 -9.45065 -18.8273 -8.86037 -41.6354 -29.3791 -21.9666 -30.1107 21.0605 TIMING: 1830400 CPU: 5772.37, 0.00316604/step Wall: 5772.37, 0.00316604/step, 2.78752 hours remaining, 240.726562 MB of memory in use. ENERGY: 1830400 3973.7236 20507.7511 14419.8630 249.4874 -203368.7716 2557.5522 0.0000 0.0000 51737.0931 -109923.3012 297.3338 -161660.3943 -109566.6073 298.9453 -126.6667 -94.6649 762287.5556 -2.6228 -2.5943 PRESSURE: 1830600 -154.724 121.58 -141.77 121.58 99.1773 -9.80486 -141.77 -9.8056 110.647 GPRESSURE: 1830600 -116.851 46.1224 -89.5859 75.1237 196.728 29.6617 -149.078 -24.0126 73.9701 PRESSAVG: 1830600 7.04935 29.4926 -44.1554 29.4928 4.75965 -2.88271 -44.1555 -2.88271 28.5001 GPRESSAVG: 1830600 8.67504 29.8132 -45.3305 29.1499 3.53047 -3.42734 -40.8619 -5.09466 27.6713 TIMING: 1830600 CPU: 5773, 0.00316752/step Wall: 5773, 0.00316752/step, 2.78865 hours remaining, 240.726562 MB of memory in use. ENERGY: 1830600 4003.3244 20485.4236 14378.1499 246.1168 -203816.2633 2754.7947 0.0000 0.0000 52185.9490 -109762.5050 299.9134 -161948.4540 -109394.6252 298.7502 18.3670 51.2826 761376.9120 13.4364 13.2923 PRESSURE: 1830800 231.156 124.992 113.163 124.992 -321.109 159.784 113.163 159.786 199.638 GPRESSURE: 1830800 203.321 81.4657 183.753 61.4429 -193.618 219.477 70.1535 90.1662 209.429 PRESSAVG: 1830800 24.1437 2.2744 -15.1103 2.27436 8.91166 43.7936 -15.1104 43.7936 14.5771 GPRESSAVG: 1830800 23.0602 2.74941 -14.7898 2.27817 10.6615 44.0768 -19.1328 46.3134 14.2108 TIMING: 1830800 CPU: 5773.64, 0.00318858/step Wall: 5773.64, 0.00318858/step, 2.80701 hours remaining, 240.726562 MB of memory in use. ENERGY: 1830800 3925.2300 20439.2948 14405.9071 253.1925 -203598.2874 2576.9504 0.0000 0.0000 52094.7508 -109902.9618 299.3892 -161997.7126 -109537.1262 298.7616 36.5615 73.0442 761195.3205 15.8775 15.9775 PRESSURE: 1831000 -38.656 38.0369 24.0966 38.0362 262.364 -54.1882 24.097 -54.1889 -72.7464 GPRESSURE: 1831000 3.91697 -75.3106 30.9491 118.895 257.845 -109.639 118.72 20.8725 -41.6322 PRESSAVG: 1831000 -43.1358 25.1954 -2.29616 25.1953 -5.61461 41.0338 -2.29617 41.0338 3.29988 GPRESSAVG: 1831000 -44.7668 24.9601 -1.79287 24.6014 -5.48489 40.9716 -2.82297 38.6348 4.1518 TIMING: 1831000 CPU: 5774.28, 0.00318317/step Wall: 5774.28, 0.00318317/step, 2.80207 hours remaining, 240.726562 MB of memory in use. ENERGY: 1831000 4014.6453 20520.5216 14472.2982 248.2323 -203712.6428 2656.2283 0.0000 0.0000 52005.6008 -109795.1163 298.8769 -161800.7171 -109429.3834 298.5247 50.3204 73.3766 761142.9492 -15.1502 -15.3666 PRESSURE: 1831200 168.776 25.2068 -93.6743 25.2072 -13.3264 -84.0709 -93.6743 -84.0696 8.06632 GPRESSURE: 1831200 222.521 109.953 -55.2183 -1.93788 33.8446 -93.7943 -50.8975 29.9114 -5.27485 PRESSAVG: 1831200 39.8349 36.9171 -48.317 36.9172 -26.7885 57.2862 -48.317 57.2861 10.91 GPRESSAVG: 1831200 42.2663 38.0623 -48.5434 37.0793 -27.6041 57.1659 -46.9767 57.6582 9.60697 TIMING: 1831200 CPU: 5774.92, 0.00320692/step Wall: 5774.92, 0.00320692/step, 2.8228 hours remaining, 240.726562 MB of memory in use. ENERGY: 1831200 3950.1885 20720.5880 14462.9254 240.3985 -203617.7862 2671.1293 0.0000 0.0000 51830.8633 -109741.6932 297.8727 -161572.5565 -109375.8849 299.3355 54.5051 83.6969 762803.6526 7.9855 8.0897 PRESSURE: 1831400 118.498 81.7498 23.9827 81.7488 168.994 110.762 23.9825 110.762 184.461 GPRESSURE: 1831400 104.034 73.4283 46.4979 177.815 332.634 188.429 -24.3781 168.531 134.266 PRESSAVG: 1831400 4.60187 12.1289 -8.1721 12.1289 -15.8632 79.7691 -8.17218 79.7691 -14.9818 GPRESSAVG: 1831400 3.51145 12.0449 -7.95374 13.3004 -16.0166 81.2858 -9.71805 80.3323 -13.739 TIMING: 1831400 CPU: 5775.56, 0.00319054/step Wall: 5775.56, 0.00319054/step, 2.80821 hours remaining, 240.726562 MB of memory in use. ENERGY: 1831400 3928.1425 20482.3224 14428.3480 276.4471 -203781.1834 2866.8060 0.0000 0.0000 51918.2652 -109880.8523 298.3750 -161799.1175 -109524.8928 299.1866 157.3178 190.3112 761292.5449 -8.7477 -8.7481 PRESSURE: 1831600 215.834 -125.02 186.619 -125.02 -367.878 -222.351 186.619 -222.351 -275.536 GPRESSURE: 1831600 279.968 -119.825 168.695 -116.835 -329.59 -216.832 251.342 -121.836 -294.94 PRESSAVG: 1831600 53.5293 46.3626 -29.1997 46.3627 -40.567 5.65436 -29.1998 5.65432 35.5695 GPRESSAVG: 1831600 54.5676 46.1457 -29.467 45.8364 -42.3757 5.43369 -27.6336 2.99359 36.09 TIMING: 1831600 CPU: 5776.2, 0.00319987/step Wall: 5776.2, 0.00319987/step, 2.81624 hours remaining, 240.726562 MB of memory in use. ENERGY: 1831600 3982.8933 20442.6912 14476.5684 252.7498 -203361.7919 2510.9828 0.0000 0.0000 52030.8514 -109665.0549 299.0220 -161695.9064 -109303.8082 299.2090 -142.5264 -114.8540 761094.8690 16.1773 16.0939 PRESSURE: 1831800 -39.6325 187.571 104.816 187.571 52.7081 -189.18 104.816 -189.18 -38.6444 GPRESSURE: 1831800 -75.8831 30.0372 121.234 337.986 176.577 -154.752 -39.5203 -48.7008 -55.1078 PRESSAVG: 1831800 20.1237 7.41441 35.4153 7.41446 -15.4066 17.0654 35.4154 17.0654 -1.26825 GPRESSAVG: 1831800 18.16 7.39843 34.6315 7.40412 -13.1962 15.3636 35.3374 19.7341 -2.41703 TIMING: 1831800 CPU: 5776.83, 0.00319454/step Wall: 5776.83, 0.00319454/step, 2.81137 hours remaining, 240.726562 MB of memory in use. ENERGY: 1831800 4000.2068 20534.6758 14416.9581 258.7869 -203729.5690 2713.9855 0.0000 0.0000 52269.3168 -109535.6392 300.3925 -161804.9560 -109178.7639 299.7319 -8.5229 15.1953 759574.9574 1.1496 0.8489 PRESSURE: 1832000 114.169 -131.644 293.167 -131.643 31.4792 110.096 293.167 110.096 79.0024 GPRESSURE: 1832000 150.998 -72.7773 208.038 -185.246 64.34 33.8393 283.94 262.585 82.5467 PRESSAVG: 1832000 29.2527 34.5569 -9.1534 34.5569 -54.1179 21.729 -9.15332 21.729 -6.48193 GPRESSAVG: 1832000 29.2914 33.4423 -7.5623 33.3666 -54.9171 21.3333 -10.1374 21.36 -6.36564 TIMING: 1832000 CPU: 5777.47, 0.00317666/step Wall: 5777.47, 0.00317666/step, 2.79546 hours remaining, 240.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1832000 3998.5370 20526.8510 14387.5745 239.7808 -203454.5263 2686.9506 0.0000 0.0000 51960.0726 -109654.7599 298.6153 -161614.8324 -109294.2083 299.1726 74.8834 99.2948 762613.1840 -10.4491 -10.6638 PRESSURE: 1832200 270.32 -205.113 -201.179 -205.113 -468.022 102.587 -201.179 102.587 138.866 GPRESSURE: 1832200 307.757 -160.415 -102.458 -204.343 -358.093 189.37 -147.889 54.7227 87.5428 PRESSAVG: 1832200 36.7791 36.5411 -35.1398 36.5411 -64.0108 -4.56719 -35.1398 -4.56717 -5.78239 GPRESSAVG: 1832200 35.8854 36.4839 -35.9809 37.0808 -63.369 -3.63213 -34.1182 -5.51374 -5.82609 TIMING: 1832200 CPU: 5778.1, 0.00315573/step Wall: 5778.1, 0.00315573/step, 2.77686 hours remaining, 240.726562 MB of memory in use. ENERGY: 1832200 4005.0299 20526.3197 14407.4001 227.8107 -203327.1261 2523.9842 0.0000 0.0000 52027.3693 -109609.2122 299.0020 -161636.5815 -109243.6381 298.9478 -19.6118 12.4023 761210.2356 -11.0047 -11.1033 LDB: ============= START OF LOAD BALANCING ============== 5790.5 LDB: ============== END OF LOAD BALANCING =============== 5790.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5790.5 LDB: ============= START OF LOAD BALANCING ============== 5790.82 LDB: Largest compute 7025 load 0.034025 is 17.4% of average load 0.196043 LDB: Average compute 0.004383 is 2.2% of average load 0.196043 LDB: TIME 5790.83 LOAD: AVG 0.196043 MAX 0.215546 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.02 MB LDB: TIME 5790.83 LOAD: AVG 0.196043 MAX 0.215546 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.09 MB LDB: TIME 5790.83 LOAD: AVG 0.196043 MAX 0.215546 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.09 MB LDB: ============== END OF LOAD BALANCING =============== 5790.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5790.83 PRESSURE: 1832400 232.268 -19.9844 162.317 -19.9836 172.443 2.27105 162.317 2.27004 150.126 GPRESSURE: 1832400 364.139 61.487 154.869 -35.9651 101.145 -77.7765 130.073 10.5064 198.346 PRESSAVG: 1832400 32.4566 -14.7177 -8.24329 -14.7177 -53.353 17.7739 -8.24323 17.774 -19.9851 GPRESSAVG: 1832400 33.1366 -13.7127 -8.94428 -14.7497 -53.774 18.983 -5.87579 19.2112 -20.1241 TIMING: 1832400 CPU: 5778.75, 0.00324596/step Wall: 5778.75, 0.00324596/step, 2.85608 hours remaining, 238.609375 MB of memory in use. ENERGY: 1832400 3955.0549 20631.2061 14436.5996 254.5014 -203586.6479 2669.4036 0.0000 0.0000 51917.1599 -109722.7223 298.3686 -161639.8822 -109366.3417 298.6677 184.9454 221.2101 760866.7862 -13.6272 -13.5872 PRESSURE: 1832600 255.654 -330.748 113.303 -330.749 107.288 -16.563 113.304 -16.5624 -158.604 GPRESSURE: 1832600 323.095 -306.345 -16.2637 -136.283 89.4233 -18.682 7.96613 58.8431 -113.531 PRESSAVG: 1832600 9.0301 -26.2545 -7.6261 -26.2546 -23.3862 2.98433 -7.62611 2.98435 17.5089 GPRESSAVG: 1832600 9.46912 -26.0416 -7.37429 -25.3948 -24.0151 0.842389 -11.1229 2.52512 17.6709 TIMING: 1832600 CPU: 5779.39, 0.0031784/step Wall: 5779.39, 0.0031784/step, 2.79647 hours remaining, 238.609375 MB of memory in use. ENERGY: 1832600 4022.7458 20476.2898 14409.2537 264.1967 -203370.8982 2628.8162 0.0000 0.0000 51945.1077 -109624.4883 298.5292 -161569.5959 -109264.5727 298.6678 68.1127 99.6627 761180.0760 1.0509 1.0416 PRESSURE: 1832800 532.905 285.73 113.387 285.73 -79.2281 -72.1264 113.388 -72.1271 256.468 GPRESSURE: 1832800 540.981 200.508 120.421 209.621 115.942 -55.5386 168.286 13.0048 145.422 PRESSAVG: 1832800 67.1112 -44.8815 41.2129 -44.8816 -37.6477 36.4472 41.2129 36.4472 9.12542 GPRESSAVG: 1832800 66.0565 -44.9033 41.5575 -46.6548 -37.0083 37.8404 42.7868 36.5673 9.26226 TIMING: 1832800 CPU: 5780.03, 0.00320172/step Wall: 5780.03, 0.00320172/step, 2.81681 hours remaining, 238.609375 MB of memory in use. ENERGY: 1832800 4025.6840 20722.8109 14519.8753 251.1522 -203675.9154 2730.6841 0.0000 0.0000 51898.7624 -109526.9464 298.2629 -161425.7089 -109178.2304 299.1885 236.7150 267.4482 758659.6960 12.8630 12.7701 PRESSURE: 1833000 -291.57 -43.4457 133.951 -43.4455 41.8995 -155.472 133.951 -155.472 -143.113 GPRESSURE: 1833000 -231.372 -20.3864 176.049 -124.522 30.5878 1.00875 135.296 -200.271 -104.337 PRESSAVG: 1833000 2.4707 36.8466 44.1678 36.8467 30.5838 0.0311389 44.1678 0.031142 3.93434 GPRESSAVG: 1833000 2.9409 36.1882 46.2867 38.5745 29.9134 0.066211 43.0565 0.493442 3.71927 TIMING: 1833000 CPU: 5780.66, 0.00318774/step Wall: 5780.66, 0.00318774/step, 2.80433 hours remaining, 238.609375 MB of memory in use. ENERGY: 1833000 3988.8472 20625.0839 14528.1892 246.1002 -203387.0037 2467.1598 0.0000 0.0000 52085.3316 -109446.2918 299.3351 -161531.6234 -109084.5356 299.9194 -130.9279 -101.7070 761315.6183 12.3296 12.1912 PRESSURE: 1833200 -32.7389 50.0621 -170.419 50.0633 -97.1412 132.315 -170.419 132.316 65.8712 GPRESSURE: 1833200 31.2183 -31.6262 -184.722 25.1687 -149.668 131.732 -299.044 20.2098 144.922 PRESSAVG: 1833200 20.4652 7.19531 -42.5894 7.19533 -7.29284 21.4807 -42.5894 21.4808 -1.27744 GPRESSAVG: 1833200 21.0325 6.42786 -44.3414 6.5729 -7.67707 21.5929 -42.1149 21.6985 -1.72281 TIMING: 1833200 CPU: 5781.3, 0.00317802/step Wall: 5781.3, 0.00317802/step, 2.7956 hours remaining, 238.609375 MB of memory in use. ENERGY: 1833200 4103.0027 20537.2993 14455.8137 244.2014 -203075.6742 2504.2606 0.0000 0.0000 51989.2860 -109241.8104 298.7831 -161231.0964 -108887.8459 299.8545 -21.3363 8.8243 763251.0403 3.9650 3.8776 PRESSURE: 1833400 -13.2159 -50.5875 28.5217 -50.5879 285.652 92.8486 28.523 92.8495 100.595 GPRESSURE: 1833400 2.85586 -59.1015 88.4935 -33.3036 343.306 144.625 53.8163 128.472 122.214 PRESSAVG: 1833400 -12.7126 54.6658 -17.5114 54.6659 8.79923 35.4063 -17.5115 35.4064 -6.79426 GPRESSAVG: 1833400 -11.554 55.3027 -17.3837 53.9401 7.57632 34.3827 -19.437 33.6618 -6.17984 TIMING: 1833400 CPU: 5781.94, 0.00320036/step Wall: 5781.94, 0.00320036/step, 2.81507 hours remaining, 238.609375 MB of memory in use. ENERGY: 1833400 4050.2799 20399.6054 14383.4773 262.5343 -203632.8237 2773.1429 0.0000 0.0000 52281.0886 -109482.6952 300.4601 -161763.7839 -109113.8200 299.4292 124.3435 156.1254 761511.0123 -3.5692 -3.3858 PRESSURE: 1833600 136.65 46.5418 128.933 46.5412 -93.5274 -188.008 128.933 -188.009 -188.642 GPRESSURE: 1833600 149.19 39.0665 164.977 4.77983 -39.3182 -195.177 182.885 -48.7464 -157.422 PRESSAVG: 1833600 102.992 -20.438 -20.3723 -20.4379 -60.8452 89.9495 -20.3723 89.9495 4.67 GPRESSAVG: 1833600 102.136 -18.5968 -21.9374 -20.2718 -60.3063 89.0904 -17.785 93.4932 4.29318 TIMING: 1833600 CPU: 5782.58, 0.00322728/step Wall: 5782.58, 0.00322728/step, 2.83857 hours remaining, 238.609375 MB of memory in use. ENERGY: 1833600 3946.3014 20514.2383 14544.2166 246.2339 -203197.6532 2584.0475 0.0000 0.0000 51958.4485 -109404.1670 298.6059 -161362.6155 -109042.2056 299.3678 -48.5065 -15.8500 761692.6078 15.6055 15.3744 PRESSURE: 1833800 -468.941 -14.6544 -27.4246 -14.6529 -345.464 107.531 -27.4247 107.53 121.88 GPRESSURE: 1833800 -479.19 51.5008 22.2576 -44.2846 -286.379 15.3199 -249.953 110.848 172.574 PRESSAVG: 1833800 -4.97746 -13.3927 5.24922 -13.3926 -18.8028 58.2937 5.24924 58.2937 -24.7503 GPRESSAVG: 1833800 -5.4095 -14.7683 6.8213 -13.3624 -17.2591 59.6219 5.46134 57.0197 -25.8817 TIMING: 1833800 CPU: 5783.22, 0.00318194/step Wall: 5783.22, 0.00318194/step, 2.79852 hours remaining, 238.609375 MB of memory in use. ENERGY: 1833800 3952.7873 20610.1356 14416.2520 256.2065 -203096.0417 2518.2908 0.0000 0.0000 52030.4014 -109311.9682 299.0194 -161342.3695 -108943.2879 299.3560 -230.8416 -197.6651 764249.1779 -16.1769 -16.1834 PRESSURE: 1834000 48.5989 14.5812 -6.02669 14.5812 -295.426 93.5215 -6.02699 93.5204 -105.479 GPRESSURE: 1834000 97.0012 87.8393 -25.3073 123.424 -320.96 92.2216 -47.9697 -40.9007 -42.9511 PRESSAVG: 1834000 -15.2595 -19.9555 -6.11233 -19.9556 -8.50377 1.28031 -6.1124 1.28031 34.1636 GPRESSAVG: 1834000 -15.3776 -19.6297 -7.88389 -20.3146 -10.1477 2.35281 -8.00038 -0.747525 35.521 TIMING: 1834000 CPU: 5783.85, 0.00315251/step Wall: 5783.85, 0.00315251/step, 2.77246 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1834000 4031.3584 20454.0787 14468.9944 225.2965 -203246.6138 2311.2643 0.0000 0.0000 52392.0721 -109363.5494 301.0980 -161755.6215 -108992.6900 299.6135 -117.4356 -88.9698 761333.9743 3.4668 3.3319 PRESSURE: 1834200 -42.0838 -154.93 -221.859 -154.929 -311.375 121.77 -221.859 121.77 -49.799 GPRESSURE: 1834200 -33.9877 -156.509 -192.274 -142.689 -211.169 36.3988 -191.284 97.7307 -61.1848 PRESSAVG: 1834200 14.5341 -82.995 -2.06171 -82.995 -9.10863 15.2331 -2.06171 15.2332 6.39577 GPRESSAVG: 1834200 13.331 -82.2491 -1.18266 -82.0933 -7.37214 14.1266 0.6795 15.1422 5.63178 TIMING: 1834200 CPU: 5784.49, 0.00318118/step Wall: 5784.49, 0.00318118/step, 2.79749 hours remaining, 238.609375 MB of memory in use. ENERGY: 1834200 3997.9773 20473.2017 14516.3223 245.3192 -203337.2560 2817.0970 0.0000 0.0000 51849.5570 -109437.7816 297.9801 -161287.3385 -109069.0569 299.2907 -134.4194 -102.1138 762185.2496 3.9404 3.8635 PRESSURE: 1834400 252.664 -239.112 -221.248 -239.111 338.476 -60.5924 -221.248 -60.5915 2.89262 GPRESSURE: 1834400 196.621 -366.265 -217.621 -121.325 401.725 -78.2365 -260.978 98.38 83.1228 PRESSAVG: 1834400 39.3406 -63.0982 -17.644 -63.0983 41.1416 -29.5756 -17.644 -29.5756 -11.1117 GPRESSAVG: 1834400 40.3494 -62.7614 -18.5221 -64.2858 39.3985 -29.6405 -17.3805 -26.4823 -10.6574 TIMING: 1834400 CPU: 5785.12, 0.00318541/step Wall: 5785.12, 0.00318541/step, 2.80103 hours remaining, 238.609375 MB of memory in use. ENERGY: 1834400 3926.1215 20497.1425 14428.1178 249.1164 -203139.6394 2780.0636 0.0000 0.0000 51910.8131 -109348.2646 298.3322 -161259.0777 -108988.6626 299.4393 198.0108 227.1562 761573.9068 23.1235 23.0302 PRESSURE: 1834600 -129.617 11.2584 251.193 11.2578 22.5387 -125.255 251.194 -125.256 234.129 GPRESSURE: 1834600 -66.1404 84.0497 341.12 -114.857 58.3238 -121.804 356.377 -33.6262 205.88 PRESSAVG: 1834600 13.892 -66.2357 6.45891 -66.2357 9.36751 23.4987 6.45883 23.4986 2.54307 GPRESSAVG: 1834600 15.6916 -67.7016 8.02921 -64.8508 8.75897 23.7061 3.29686 24.6693 1.30276 TIMING: 1834600 CPU: 5785.76, 0.00316042/step Wall: 5785.76, 0.00316042/step, 2.77888 hours remaining, 238.609375 MB of memory in use. ENERGY: 1834600 4032.7689 20568.7787 14493.7367 242.2190 -203189.6687 2530.8592 0.0000 0.0000 52047.0227 -109274.2834 299.1150 -161321.3061 -108918.9866 299.6509 42.3502 66.0211 763913.7036 8.6009 8.5844 PRESSURE: 1834800 -42.4254 -13.2113 94.2512 -13.2114 15.2996 -1.85908 94.2511 -1.85891 -279.245 GPRESSURE: 1834800 -11.201 -42.5582 143.389 67.479 23.5036 -16.4093 74.1736 58.416 -245.821 PRESSAVG: 1834800 45.7191 1.39219 -1.07751 1.39222 -6.43022 -5.12851 -1.07748 -5.12852 -0.115458 GPRESSAVG: 1834800 44.4916 1.7044 -1.75565 3.12739 -6.25606 -3.51752 0.780534 -7.9902 0.797199 TIMING: 1834800 CPU: 5786.39, 0.00318363/step Wall: 5786.39, 0.00318363/step, 2.79912 hours remaining, 238.609375 MB of memory in use. ENERGY: 1834800 4014.0806 20431.0779 14453.3711 249.6994 -203503.1232 2950.3192 0.0000 0.0000 52124.0164 -109280.5586 299.5574 -161404.5750 -108911.1848 299.7373 -102.1235 -77.8394 762402.4539 13.0578 13.0109 PRESSURE: 1835000 126.344 44.4374 -276.172 44.4377 388.263 153.094 -276.171 153.095 228.362 GPRESSURE: 1835000 238.112 -157.75 -311.675 -44.3359 409.591 166.448 -177.659 63.726 190.686 PRESSAVG: 1835000 -2.5717 -28.9622 -10.8941 -28.9622 10.03 -12.7539 -10.894 -12.7538 3.22987 GPRESSAVG: 1835000 -2.33541 -29.8615 -10.7445 -28.9101 9.8567 -14.6688 -9.9669 -11.8031 2.97987 TIMING: 1835000 CPU: 5787.03, 0.00316485/step Wall: 5787.03, 0.00316485/step, 2.78243 hours remaining, 238.609375 MB of memory in use. ENERGY: 1835000 3972.7655 20551.5059 14517.9564 250.3143 -204127.3852 3203.7031 0.0000 0.0000 51975.8754 -109655.2647 298.7061 -161631.1401 -109293.9807 299.6493 247.6562 279.4630 763428.3002 3.5627 3.5004 PRESSURE: 1835200 -181.935 -161.962 -13.2474 -161.962 -36.016 -132.031 -13.247 -132.03 61.1909 GPRESSURE: 1835200 -129.99 -155.678 -47.0319 -114.258 33.7696 -191.895 74.1776 -58.0429 34.5018 PRESSAVG: 1835200 -35.0839 -60.6627 -37.94 -60.6627 17.7889 8.15948 -37.94 8.15952 5.25145 GPRESSAVG: 1835200 -35.6602 -58.0848 -37.4717 -61.7415 18.353 8.09016 -36.8029 9.89381 5.71175 TIMING: 1835200 CPU: 5787.66, 0.00317748/step Wall: 5787.66, 0.00317748/step, 2.79335 hours remaining, 238.609375 MB of memory in use. ENERGY: 1835200 4008.4851 20442.4593 14494.1990 238.1304 -203541.4227 2654.1995 0.0000 0.0000 51900.9042 -109803.0452 298.2752 -161703.9495 -109436.5572 298.3545 -52.2534 -20.5729 761947.5225 -4.0145 -3.8651 PRESSURE: 1835400 -112.041 -34.4163 29.4808 -34.4172 -56.7604 179.724 29.4818 179.724 219.344 GPRESSURE: 1835400 -131.728 15.2621 79.307 -32.1998 -70.7779 162.585 -117.113 106.8 311.292 PRESSAVG: 1835400 20.7197 -32.5892 -52.9989 -32.5892 -5.28047 5.64193 -52.9989 5.64185 9.74649 GPRESSAVG: 1835400 21.1759 -33.8158 -53.3086 -34.3968 -5.14673 6.0772 -54.6205 5.00935 8.83777 TIMING: 1835400 CPU: 5788.3, 0.00317158/step Wall: 5788.3, 0.00317158/step, 2.788 hours remaining, 238.609375 MB of memory in use. ENERGY: 1835400 3949.9643 20372.8984 14431.2913 249.8854 -203243.7091 2507.0185 0.0000 0.0000 51877.9304 -109854.7207 298.1432 -161732.6511 -109486.8899 298.1614 16.8477 36.2621 761132.7056 8.3952 8.2890 PRESSURE: 1835600 -54.6149 90.6166 68.65 90.6178 -56.9685 -149.666 68.6497 -149.667 -478.277 GPRESSURE: 1835600 -42.9969 55.277 60.0303 91.8863 -50.0079 -159.34 -74.4042 -117.908 -380.187 PRESSAVG: 1835600 14.2137 -62.6871 -46.5674 -62.6871 32.0601 -43.5567 -46.5674 -43.5567 26.6699 GPRESSAVG: 1835600 14.0511 -62.3659 -45.2297 -63.1536 31.8399 -42.5734 -46.9715 -44.7149 27.2008 TIMING: 1835600 CPU: 5788.93, 0.00317405/step Wall: 5788.93, 0.00317405/step, 2.78999 hours remaining, 238.609375 MB of memory in use. ENERGY: 1835600 4003.2422 20589.6454 14505.5005 255.1429 -202909.6805 2263.2815 0.0000 0.0000 51506.2418 -109786.6262 296.0071 -161292.8680 -109425.0028 297.7525 -196.6201 -157.7306 762331.6708 24.3146 24.3639 PRESSURE: 1835800 -111.217 64.6003 44.201 64.6016 -422.74 87.2286 44.2013 87.2282 -81.2513 GPRESSURE: 1835800 -76.941 174.158 -17.7938 48.5634 -327.386 177.4 -42.6468 22.8064 -121.809 PRESSAVG: 1835800 -14.1273 -15.2775 -43.7759 -15.2775 -29.2491 -24.1083 -43.7759 -24.1083 0.714784 GPRESSAVG: 1835800 -14.0331 -14.4785 -45.9643 -14.3143 -29.4779 -23.9793 -43.6351 -23.7202 0.645028 TIMING: 1835800 CPU: 5789.57, 0.00319292/step Wall: 5789.57, 0.00319292/step, 2.8064 hours remaining, 238.609375 MB of memory in use. ENERGY: 1835800 3971.5391 20520.5208 14435.0553 242.6681 -203564.6583 2591.7743 0.0000 0.0000 52151.2901 -109651.8107 299.7142 -161803.1008 -109288.0391 298.9605 -205.0695 -175.3784 761158.7162 -14.2206 -14.2887 PRESSURE: 1836000 -271.36 -140.978 145.431 -140.979 -187.794 -53.4296 145.431 -53.4284 75.1308 GPRESSURE: 1836000 -128.573 -74.0405 116.767 -94.6915 -198.408 -28.8553 107.987 -90.6608 30.1854 PRESSAVG: 1836000 -0.619054 -63.7554 1.60689 -63.7555 -47.4119 -8.98732 1.60695 -8.98741 4.83028 GPRESSAVG: 1836000 -0.378748 -63.8523 2.5841 -63.2167 -47.4928 -8.18606 1.4559 -10.541 4.16612 TIMING: 1836000 CPU: 5790.21, 0.00319532/step Wall: 5790.21, 0.00319533/step, 2.80834 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1836000 4048.8217 20526.6752 14508.8608 230.8926 -203846.0606 2654.6843 0.0000 0.0000 52166.9646 -109709.1616 299.8043 -161876.1262 -109348.6282 299.2653 -128.0076 -98.9319 761032.2393 -14.4002 -14.5685 PRESSURE: 1836200 -47.1284 -66.0451 -171.028 -66.0461 -209.255 -144.764 -171.028 -144.764 229.581 GPRESSURE: 1836200 -101.514 -62.803 -139.381 -65.6378 -70.4324 -71.3737 -151.68 -137.207 234.259 PRESSAVG: 1836200 -39.0505 -33.472 -12.1868 -33.4721 5.13646 9.60185 -12.1868 9.60177 -8.15056 GPRESSAVG: 1836200 -38.7631 -35.3489 -12.5304 -33.3891 4.74488 9.64169 -11.3524 10.8439 -7.98169 TIMING: 1836200 CPU: 5790.86, 0.00323251/step Wall: 5790.86, 0.00323251/step, 2.84083 hours remaining, 238.609375 MB of memory in use. ENERGY: 1836200 3955.2114 20646.8357 14395.4685 238.9472 -203957.1788 2887.3525 0.0000 0.0000 52139.9208 -109693.4428 299.6488 -161833.3635 -109331.8655 298.5849 -8.9342 20.7710 760420.1738 -14.0215 -14.0000 LDB: ============= START OF LOAD BALANCING ============== 5803.26 LDB: ============== END OF LOAD BALANCING =============== 5803.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5803.26 LDB: ============= START OF LOAD BALANCING ============== 5803.58 LDB: Largest compute 7034 load 0.037557 is 19.2% of average load 0.195924 LDB: Average compute 0.004388 is 2.2% of average load 0.195924 LDB: TIME 5803.58 LOAD: AVG 0.195924 MAX 0.216456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.641 MB LDB: TIME 5803.58 LOAD: AVG 0.195924 MAX 0.216456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.645 MB LDB: TIME 5803.58 LOAD: AVG 0.195924 MAX 0.216456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.645 MB LDB: ============== END OF LOAD BALANCING =============== 5803.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5803.59 PRESSURE: 1836400 109.351 43.7517 -52.362 43.7516 100.614 113.668 -52.362 113.668 -275.667 GPRESSURE: 1836400 123.485 21.1318 5.5464 14.3379 158.831 113.123 -112.472 186.056 -257.281 PRESSAVG: 1836400 -8.60661 10.576 -23.6377 10.5761 17.6668 39.7753 -23.6377 39.7753 31.4571 GPRESSAVG: 1836400 -9.13116 9.62246 -22.9777 11.2231 17.8167 36.7519 -23.7161 40.0875 32.1156 TIMING: 1836400 CPU: 5791.51, 0.00325435/step Wall: 5791.51, 0.00325435/step, 2.85985 hours remaining, 238.148438 MB of memory in use. ENERGY: 1836400 3972.4424 20630.3845 14484.8014 259.4914 -203482.0649 2642.1264 0.0000 0.0000 51934.1202 -109558.6985 298.4661 -161492.8187 -109205.8451 298.6349 -21.9008 8.3449 761838.5137 13.5058 13.6004 PRESSURE: 1836600 -44.7171 1.65491 -120.657 1.65528 236.677 -264.692 -120.657 -264.693 -207.087 GPRESSURE: 1836600 -57.333 -14.0629 -136.408 68.038 360.989 -190.649 -116.124 -267.975 -242.722 PRESSAVG: 1836600 -22.0669 -38.1623 -11.8045 -38.1624 11.9889 18.2005 -11.8046 18.2005 10.7447 GPRESSAVG: 1836600 -21.497 -36.6187 -12.86 -38.4255 11.6475 19.2024 -12.5894 18.7139 10.7152 TIMING: 1836600 CPU: 5792.14, 0.00317264/step Wall: 5792.14, 0.00317264/step, 2.78787 hours remaining, 238.148438 MB of memory in use. ENERGY: 1836600 3980.4611 20560.2677 14472.8793 222.7840 -203637.6527 2835.1330 0.0000 0.0000 51942.3050 -109623.8225 298.5131 -161566.1276 -109269.9248 298.4656 -5.0423 20.3115 761230.8442 0.2222 0.2885 PRESSURE: 1836800 8.13494 -61.2821 -58.4854 -61.2823 -322.453 -311.284 -58.485 -311.283 -138.255 GPRESSURE: 1836800 -64.543 -48.5564 -106.174 -55.0067 -250.387 -282.249 -122.316 -287.716 -59.4192 PRESSAVG: 1836800 37.1656 -37.1039 -3.40705 -37.1039 -2.72692 20.6194 -3.40701 20.6195 5.69101 GPRESSAVG: 1836800 36.4204 -38.1267 -3.82918 -37.3702 -1.46543 20.0021 -5.05707 19.4463 5.14722 TIMING: 1836800 CPU: 5792.78, 0.00319497/step Wall: 5792.78, 0.00319497/step, 2.80732 hours remaining, 238.148438 MB of memory in use. ENERGY: 1836800 3974.9608 20558.3374 14526.9648 256.1539 -203429.3591 2566.1446 0.0000 0.0000 51962.2701 -109584.5274 298.6279 -161546.7975 -109227.4613 298.9750 -150.8579 -124.7832 761821.9268 13.3766 13.3674 PRESSURE: 1837000 -143.545 102.046 -32.328 102.044 166.733 -94.9879 -32.328 -94.9876 228.935 GPRESSURE: 1837000 -60.7196 170.493 -132.754 -1.7586 156.474 -31.8835 -29.4252 -166.213 239.305 PRESSAVG: 1837000 -0.476608 11.3794 -53.2136 11.3794 16.9425 16.0478 -53.2136 16.0477 13.4379 GPRESSAVG: 1837000 -0.0910125 12.3158 -53.8922 10.5462 16.2085 16.9939 -52.0794 16.729 14.2051 TIMING: 1837000 CPU: 5793.42, 0.00317907/step Wall: 5793.42, 0.00317907/step, 2.79317 hours remaining, 238.148438 MB of memory in use. ENERGY: 1837000 4064.8487 20579.9919 14508.5496 238.2384 -203338.6889 2577.6428 0.0000 0.0000 51985.0123 -109384.4053 298.7586 -161369.4176 -109028.1779 299.0574 84.0409 111.6864 763248.3650 9.9679 10.1075 PRESSURE: 1837200 -164.273 -121.858 45.0432 -121.857 88.5598 52.3043 45.0438 52.3042 -339.628 GPRESSURE: 1837200 -116.763 -159.024 52.2339 -60.9804 94.7413 91.3878 55.5614 43.8509 -298.134 PRESSAVG: 1837200 60.6432 -7.99065 -28.0637 -7.99063 -12.715 14.0153 -28.0637 14.0152 3.47069 GPRESSAVG: 1837200 60.7172 -7.03823 -28.6809 -7.61794 -12.8595 12.8214 -26.0964 12.4716 3.57442 TIMING: 1837200 CPU: 5794.05, 0.00318068/step Wall: 5794.05, 0.00318068/step, 2.7944 hours remaining, 238.148438 MB of memory in use. ENERGY: 1837200 3998.3924 20565.3330 14465.9831 224.5886 -203572.0775 2787.5531 0.0000 0.0000 52122.3420 -109407.8852 299.5478 -161530.2273 -109039.9100 299.1509 -138.4472 -106.7185 764259.5353 17.1329 17.1441 PRESSURE: 1837400 -112.05 -85.5875 25.3623 -85.5869 157.794 125.872 25.3619 125.873 528.819 GPRESSURE: 1837400 -161.011 -211.242 -58.4737 26.8423 209.391 182.962 36.8873 135.797 574.614 PRESSAVG: 1837400 -12.0403 -54.3045 -45.5985 -54.3045 -11.8419 -4.02342 -45.5986 -4.0234 -15.0686 GPRESSAVG: 1837400 -12.8055 -55.3806 -43.5862 -54.9492 -11.143 -2.11011 -48.2249 -2.55384 -15.322 TIMING: 1837400 CPU: 5794.69, 0.00318527/step Wall: 5794.69, 0.00318527/step, 2.79826 hours remaining, 238.148438 MB of memory in use. ENERGY: 1837400 4071.0231 20737.3979 14503.0415 255.4407 -203928.7552 3170.4961 0.0000 0.0000 51857.6465 -109333.7094 298.0266 -161191.3559 -108983.6645 298.7094 191.5208 207.6648 763957.1589 -12.9836 -13.0901 PRESSURE: 1837600 -120.539 -66.43 -97.1634 -66.4298 60.6073 24.4206 -97.1643 24.4212 -491.697 GPRESSURE: 1837600 -136.956 -27.7106 -122.226 6.5132 136.952 17.6719 -11.3101 -33.0356 -489.077 PRESSAVG: 1837600 -25.868 -47.3773 31.5305 -47.3773 35.7485 31.7919 31.5305 31.7918 11.3292 GPRESSAVG: 1837600 -24.2677 -47.876 30.5453 -45.9282 34.2982 30.1417 32.3413 32.2362 11.3787 TIMING: 1837600 CPU: 5795.33, 0.00318966/step Wall: 5795.33, 0.00318966/step, 2.80194 hours remaining, 238.148438 MB of memory in use. ENERGY: 1837600 4001.7164 20614.0379 14474.8219 249.8785 -203815.6536 2799.2385 0.0000 0.0000 52274.4299 -109401.5305 300.4219 -161675.9603 -109044.7149 299.7325 -183.8763 -163.0271 763922.8840 7.0699 7.1364 PRESSURE: 1837800 -293.706 -22.902 71.6831 -22.9007 50.52 218.121 71.6829 218.12 -89.8262 GPRESSURE: 1837800 -220.351 -50.2152 192.084 16.0085 60.7613 184.824 142.744 91.7267 -70.1164 PRESSAVG: 1837800 -20.6056 -59.2369 28.2278 -59.2368 26.1147 -13.4742 28.2278 -13.4742 -11.9482 GPRESSAVG: 1837800 -22.4667 -60.22 27.937 -58.7827 28.1075 -13.5367 30.7901 -14.9516 -11.6813 TIMING: 1837800 CPU: 5795.96, 0.00318475/step Wall: 5795.96, 0.00318475/step, 2.79745 hours remaining, 238.148438 MB of memory in use. ENERGY: 1837800 4085.5981 20417.2561 14531.1781 251.7166 -203376.0424 2684.6362 0.0000 0.0000 51883.8477 -109521.8097 298.1772 -161405.6574 -109164.8717 299.1425 -111.0040 -76.5688 763055.2415 -2.1464 -2.0135 PRESSURE: 1838000 -48.1245 -111.438 164.113 -111.44 -77.6759 -11.3448 164.113 -11.3444 -175.08 GPRESSURE: 1838000 -8.25794 -149.549 137.519 -15.4525 -119.802 19.8319 166.749 -59.7744 -91.3489 PRESSAVG: 1838000 18.3018 -29.2596 -14.929 -29.2596 -14.1246 -35.0871 -14.9289 -35.0871 -2.87473 GPRESSAVG: 1838000 19.1104 -28.0663 -13.4685 -31.1342 -14.8186 -34.1311 -17.2475 -34.7138 -3.20193 TIMING: 1838000 CPU: 5796.6, 0.00316161/step Wall: 5796.6, 0.00316161/step, 2.77694 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1838000 4029.7914 20437.4344 14556.7825 238.6549 -203041.2096 2309.7893 0.0000 0.0000 51964.6170 -109504.1401 298.6414 -161468.7571 -109144.8827 298.8684 -100.2935 -73.1362 763425.9826 0.4341 0.3633 PRESSURE: 1838200 -478.143 -116.371 96.4144 -116.372 -232.943 252.913 96.4146 252.913 134.698 GPRESSURE: 1838200 -499.03 -56.9833 143.523 -136.914 -135.652 253.458 117.136 286.83 122.589 PRESSAVG: 1838200 24.1955 -9.34507 10.1117 -9.34505 -35.0979 36.765 10.1117 36.7649 -19.9661 GPRESSAVG: 1838200 24.655 -9.21066 8.89689 -9.77161 -35.2554 37.552 10.0086 35.3576 -19.7274 TIMING: 1838200 CPU: 5797.23, 0.00319096/step Wall: 5797.23, 0.00319096/step, 2.80255 hours remaining, 238.148438 MB of memory in use. ENERGY: 1838200 4070.8440 20614.6743 14496.5835 249.5682 -203268.8367 2704.4956 0.0000 0.0000 51798.2094 -109334.4617 297.6850 -161132.6711 -108979.2535 299.1777 -192.1294 -170.6975 762501.1575 -10.2895 -10.1093 PRESSURE: 1838400 37.3258 -167.735 200.97 -167.734 80.6732 71.0898 200.97 71.0905 155 GPRESSURE: 1838400 110.737 -64.9363 108.858 -129.542 82.0005 190.358 97.9716 126.02 166.37 PRESSAVG: 1838400 34.9887 -55.7395 43.1562 -55.7394 12.9986 -35.9242 43.1562 -35.9242 -1.14826 GPRESSAVG: 1838400 33.7919 -56.1397 42.4693 -54.8404 14.6037 -35.3767 43.9392 -33.6673 -1.4318 TIMING: 1838400 CPU: 5797.87, 0.00317406/step Wall: 5797.87, 0.00317406/step, 2.78753 hours remaining, 238.148438 MB of memory in use. ENERGY: 1838400 4014.5436 20570.2314 14438.7384 252.1070 -203268.0612 2745.6864 0.0000 0.0000 52052.5868 -109194.1676 299.1469 -161246.7543 -108836.6416 299.1476 90.9996 119.7027 762660.6401 15.6130 15.6546 PRESSURE: 1838600 -40.3599 -99.6701 11.9527 -99.67 -217.823 116.198 11.9525 116.198 -44.0702 GPRESSURE: 1838600 47.9625 -133.847 44.4475 -67.2283 -170.814 124.308 -7.23862 154.09 -79.2165 PRESSAVG: 1838600 30.4031 -23.7101 -15.7424 -23.7102 20.8042 -13.1889 -15.7425 -13.1889 -20.0835 GPRESSAVG: 1838600 29.3138 -23.8458 -14.3746 -21.9932 20.8186 -13.8124 -17.5442 -14.0536 -18.7173 TIMING: 1838600 CPU: 5798.5, 0.00316805/step Wall: 5798.5, 0.00316805/step, 2.78208 hours remaining, 238.148438 MB of memory in use. ENERGY: 1838600 3964.9981 20567.3499 14500.5488 236.1004 -203011.8183 2376.9374 0.0000 0.0000 52229.9589 -109135.9247 300.1663 -161365.8836 -108778.2113 299.2368 -100.7509 -67.3559 762323.7131 10.3746 10.4717 PRESSURE: 1838800 261.482 7.83102 186.987 7.83101 122.198 139.248 186.988 139.247 242.033 GPRESSURE: 1838800 284.059 -50.3451 174.958 -96.4422 108.498 140.733 -17.4741 160.38 323.653 PRESSAVG: 1838800 1.24243 8.17862 -29.6996 8.17858 -19.7427 -13.5969 -29.6996 -13.5969 -1.39861 GPRESSAVG: 1838800 3.36101 7.79206 -29.4135 6.65103 -21.827 -13.8591 -28.838 -13.5592 -1.45712 TIMING: 1838800 CPU: 5799.14, 0.00316739/step Wall: 5799.14, 0.00316739/step, 2.78132 hours remaining, 238.148438 MB of memory in use. ENERGY: 1838800 3933.8500 20606.8988 14516.6406 241.9037 -203469.5898 2697.6976 0.0000 0.0000 52114.2907 -109358.3084 299.5015 -161472.5991 -109010.8842 299.5254 208.5709 238.7366 760731.8743 -6.6330 -6.6410 PRESSURE: 1839000 -135.779 -52.4349 167.268 -52.434 -40.4926 -15.592 167.267 -15.5922 -324.306 GPRESSURE: 1839000 -175.028 -58.5306 157.617 9.76916 52.2573 -45.3806 80.9768 115.06 -279.518 PRESSAVG: 1839000 9.39374 -10.9204 -11.6497 -10.9204 -5.92556 15.7204 -11.6497 15.7205 -7.81419 GPRESSAVG: 1839000 8.2541 -10.22 -9.39959 -11.9366 -4.40033 15.1653 -13.2783 15.685 -8.19667 TIMING: 1839000 CPU: 5799.77, 0.00315611/step Wall: 5799.77, 0.00315611/step, 2.77124 hours remaining, 238.148438 MB of memory in use. ENERGY: 1839000 3908.9203 20582.6363 14451.8884 233.9911 -203470.1478 2669.3610 0.0000 0.0000 52227.9246 -109395.4260 300.1546 -161623.3506 -109030.7783 299.6324 -166.8591 -134.0964 763871.8797 -1.4487 -1.4476 PRESSURE: 1839200 -28.0393 -44.7127 166.271 -44.7118 41.6721 87.1854 166.272 87.185 -158.858 GPRESSURE: 1839200 -31.7835 -19.6609 205.715 -56.7461 127.324 -22.0413 165.908 184.239 -146.471 PRESSAVG: 1839200 -30.4028 -50.713 60.7296 -50.7129 16.0398 -15.2444 60.7295 -15.2443 -0.437785 GPRESSAVG: 1839200 -30.0196 -50.5971 57.5593 -49.498 15.7286 -13.7096 61.4774 -14.7197 -0.244053 TIMING: 1839200 CPU: 5800.39, 0.0031332/step Wall: 5800.39, 0.0031332/step, 2.75095 hours remaining, 238.148438 MB of memory in use. ENERGY: 1839200 3944.6863 20640.4827 14495.8152 239.5312 -203332.1750 2542.7767 0.0000 0.0000 52067.9793 -109400.9035 299.2354 -161468.8828 -109047.9110 299.2391 -48.4084 -16.9768 763431.9147 -4.9336 -4.8450 PRESSURE: 1839400 139.133 -101.749 -44.9252 -101.749 348.598 -63.1813 -44.9238 -63.1821 392.318 GPRESSURE: 1839400 229.199 -54.3681 -5.48139 -127.263 321.437 -131.136 -58.5663 -139.762 405.372 PRESSAVG: 1839400 -31.5228 -56.578 13.3761 -56.578 14.667 12.7988 13.3761 12.7987 -27.8382 GPRESSAVG: 1839400 -31.3467 -55.1609 14.175 -57.7455 14.209 11.3761 14.4799 12.2702 -28.069 TIMING: 1839400 CPU: 5801.03, 0.00318676/step Wall: 5801.03, 0.00318676/step, 2.7978 hours remaining, 238.148438 MB of memory in use. ENERGY: 1839400 3872.6296 20548.9825 14455.4499 233.0165 -203472.6646 2954.5019 0.0000 0.0000 52130.0696 -109278.0145 299.5922 -161408.0842 -108921.3593 300.1699 293.3500 318.6693 763293.6213 -14.8980 -15.0689 PRESSURE: 1839600 -56.0066 12.182 -160.672 12.182 -30.8157 192.272 -160.672 192.272 336.57 GPRESSURE: 1839600 -23.2758 47.8422 -221.58 5.98605 102.239 216.374 -121.852 263.195 247.751 PRESSAVG: 1839600 4.64872 1.96513 -1.70289 1.96519 -10.9389 -21.3001 -1.70286 -21.3001 11.7833 GPRESSAVG: 1839600 4.14417 1.01035 -2.73619 1.72903 -10.6877 -19.3808 -2.68938 -22.8033 12.1989 TIMING: 1839600 CPU: 5801.67, 0.00318327/step Wall: 5801.67, 0.00318327/step, 2.79455 hours remaining, 238.148438 MB of memory in use. ENERGY: 1839600 3959.8509 20551.0125 14532.0610 231.9949 -203257.4820 2560.0475 0.0000 0.0000 52321.6576 -109100.8576 300.6933 -161422.5152 -108728.7787 299.9294 83.2493 108.9048 761016.6785 1.8310 1.8851 PRESSURE: 1839800 3.25367 25.8523 -15.4867 25.8526 263.495 69.0446 -15.4859 69.0456 315.456 GPRESSURE: 1839800 102.503 -58.8383 -4.19567 5.20971 246.133 11.4439 -109.199 94.2218 322.558 PRESSAVG: 1839800 57.5762 -37.2627 21.5628 -37.2627 -40.9103 -13.6289 21.5629 -13.629 12.8534 GPRESSAVG: 1839800 58.2508 -37.9315 22.6986 -37.7736 -41.9808 -14.1193 23.8576 -12.318 12.4976 TIMING: 1839800 CPU: 5802.3, 0.00315871/step Wall: 5802.3, 0.00315871/step, 2.77282 hours remaining, 238.148438 MB of memory in use. ENERGY: 1839800 3957.6940 20578.8358 14486.5346 252.6761 -203104.4476 2646.0927 0.0000 0.0000 52309.3956 -108873.2189 300.6228 -161182.6145 -108521.7956 300.7905 194.0680 223.7314 761274.5775 9.8398 9.5892 PRESSURE: 1840000 -70.8555 71.9893 57.3157 71.9888 -326.208 53.5378 57.3158 53.5377 169.518 GPRESSURE: 1840000 79.3686 145.493 52.1407 47.3051 -376.137 23.3087 68.0903 85.1293 159.977 PRESSAVG: 1840000 29.9125 -72.2512 79.574 -72.2512 -42.7551 30.4899 79.574 30.4899 -1.21715 GPRESSAVG: 1840000 29.3873 -73.8261 80.1714 -71.4978 -42.2009 30.4958 79.0921 31.1998 -1.15479 TIMING: 1840000 CPU: 5802.93, 0.00317282/step Wall: 5802.93, 0.00317282/step, 2.78503 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1840000 3958.6407 20601.0446 14568.4949 264.0290 -202886.6827 2498.6908 0.0000 0.0000 52329.0038 -108666.7790 300.7355 -160995.7828 -108301.9159 300.6717 -75.8486 -45.5970 763136.8137 -4.6866 -4.6561 PRESSURE: 1840200 -92.8726 78.1438 -86.546 78.1433 -83.6573 3.50136 -86.5461 3.50037 256.244 GPRESSURE: 1840200 50.0133 75.4939 -5.64255 73.4879 -105.693 30.6982 -147.003 63.5742 242.077 PRESSAVG: 1840200 8.85995 -32.9926 8.99536 -32.9926 -28.483 23.0166 8.99541 23.0165 -2.0387 GPRESSAVG: 1840200 7.95667 -30.7007 7.11902 -31.8606 -26.8698 22.9047 11.2802 22.4753 -2.89038 TIMING: 1840200 CPU: 5803.57, 0.00317871/step Wall: 5803.57, 0.00317872/step, 2.79003 hours remaining, 238.148438 MB of memory in use. ENERGY: 1840200 4058.3112 20492.6908 14557.1877 251.1585 -203245.0351 3020.5510 0.0000 0.0000 52045.4476 -108819.6883 299.1059 -160865.1359 -108454.8149 300.9225 26.5713 62.1323 763148.2896 -7.2206 -7.2678 LDB: ============= START OF LOAD BALANCING ============== 5815.97 LDB: ============== END OF LOAD BALANCING =============== 5815.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5815.97 LDB: ============= START OF LOAD BALANCING ============== 5816.29 LDB: Largest compute 7034 load 0.035754 is 18.2% of average load 0.196001 LDB: Average compute 0.004394 is 2.2% of average load 0.196001 LDB: TIME 5816.29 LOAD: AVG 0.196001 MAX 0.21453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.688 MB LDB: TIME 5816.29 LOAD: AVG 0.196001 MAX 0.21453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.762 MB LDB: TIME 5816.29 LOAD: AVG 0.196001 MAX 0.21453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.762 MB LDB: ============== END OF LOAD BALANCING =============== 5816.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5816.3 PRESSURE: 1840400 -214.794 -119.62 -42.8264 -119.62 -212.721 -402.39 -42.8259 -402.39 -617.674 GPRESSURE: 1840400 -152.773 -130.408 -56.9353 -76.3594 -157.157 -382.006 -73.7352 -309.878 -662.781 PRESSAVG: 1840400 -24.3581 -13.0363 24.708 -13.0363 9.73304 -27.2871 24.7079 -27.2871 -10.1531 GPRESSAVG: 1840400 -24.2307 -13.4907 25.2056 -12.0508 9.64418 -27.5211 22.0849 -26.3717 -10.5596 TIMING: 1840400 CPU: 5804.22, 0.00322709/step Wall: 5804.22, 0.00322709/step, 2.83231 hours remaining, 237.636719 MB of memory in use. ENERGY: 1840400 3917.4198 20433.3721 14467.2044 234.9325 -202580.7523 2307.0722 0.0000 0.0000 52273.5758 -108947.1756 300.4170 -161220.7514 -108573.7032 299.8524 -348.3966 -324.2369 764824.5086 -8.2594 -8.3820 PRESSURE: 1840600 -324.732 141.968 -176.426 141.969 -89.9657 16.7319 -176.426 16.7324 377.128 GPRESSURE: 1840600 -313.729 211.678 -116.36 294.516 -34.805 99.1471 -213.47 -87.865 368.047 PRESSAVG: 1840600 7.33643 1.41195 2.90589 1.41197 -28.1268 0.446794 2.9059 0.446764 9.67252 GPRESSAVG: 1840600 7.17639 1.91708 2.08597 1.44954 -29.7168 0.972879 3.91572 -0.710463 11.0324 TIMING: 1840600 CPU: 5804.85, 0.00315124/step Wall: 5804.85, 0.00315124/step, 2.76556 hours remaining, 237.636719 MB of memory in use. ENERGY: 1840600 4029.6426 20533.8608 14480.6203 252.0141 -203264.1323 2722.8094 0.0000 0.0000 52134.0400 -109111.1451 299.6150 -161245.1851 -108744.4479 300.3040 -12.5231 6.5044 763045.5579 -3.7059 -3.8360 PRESSURE: 1840800 -59.6836 -111.196 81.474 -111.196 -65.5633 -260.741 81.4744 -260.741 172.669 GPRESSURE: 1840800 48.7746 -31.6759 6.70402 -134.085 -27.4111 -259.072 226.699 -273.887 119.55 PRESSAVG: 1840800 -30.1847 -56.776 -8.28854 -56.7759 0.355041 5.75324 -8.28855 5.75321 6.63263 GPRESSAVG: 1840800 -30.2138 -56.9117 -6.68376 -56.7347 1.50788 5.03491 -9.46638 5.94581 6.19967 TIMING: 1840800 CPU: 5805.47, 0.00311779/step Wall: 5805.47, 0.00311779/step, 2.73604 hours remaining, 237.636719 MB of memory in use. ENERGY: 1840800 4034.0038 20589.6571 14434.0606 216.8950 -203302.6691 2730.1491 0.0000 0.0000 52252.4952 -109045.4081 300.2958 -161297.9033 -108681.9727 299.7699 15.8075 46.9711 760766.9468 -7.7323 -7.5021 PRESSURE: 1841000 -308.614 -51.1014 -90.6895 -51.1015 -266.761 153.814 -90.689 153.815 -201.307 GPRESSURE: 1841000 -295.495 36.9054 -19.7081 -17.9083 -273.719 223.16 -174.498 63.1446 -131.288 PRESSAVG: 1841000 -19.525 -29.975 14.2523 -29.9749 27.5445 -7.56854 14.2523 -7.56849 33.1018 GPRESSAVG: 1841000 -18.4491 -29.6992 14.2889 -29.3895 27.3571 -6.48935 14.2694 -7.04622 32.0838 TIMING: 1841000 CPU: 5806.1, 0.00315338/step Wall: 5806.1, 0.00315338/step, 2.76709 hours remaining, 237.636719 MB of memory in use. ENERGY: 1841000 3978.0490 20662.4152 14513.2968 244.5133 -202864.9999 2463.4382 0.0000 0.0000 52104.1349 -108899.1523 299.4432 -161003.2873 -108549.4308 300.3143 -258.8941 -233.5003 761736.0083 13.7071 13.6639 PRESSURE: 1841200 -12.6355 244.319 -190.373 244.319 -123.532 -35.9916 -190.374 -35.9919 144.053 GPRESSURE: 1841200 73.2505 159.638 -134.78 223.137 -155.494 18.6576 -199.738 -197.355 172.744 PRESSAVG: 1841200 107.228 -1.55179 -33.9079 -1.55178 -105.468 -38.6412 -33.9079 -38.6411 -16.068 GPRESSAVG: 1841200 106.499 -2.19126 -33.5966 -1.73203 -104.618 -37.7259 -31.618 -39.6218 -15.9977 TIMING: 1841200 CPU: 5806.74, 0.00320276/step Wall: 5806.74, 0.00320276/step, 2.81024 hours remaining, 237.636719 MB of memory in use. ENERGY: 1841200 3993.6778 20655.0453 14548.0620 238.9658 -203415.1588 2681.6078 0.0000 0.0000 52153.9480 -109143.8521 299.7295 -161297.8001 -108781.3910 299.9680 2.6285 30.1670 760336.2930 -4.7692 -4.7056 PRESSURE: 1841400 91.5937 -58.286 152.359 -58.287 267.562 -161.886 152.36 -161.885 610.359 GPRESSURE: 1841400 229.321 -85.4438 46.9552 -16.06 240.375 -191.938 235.08 -126.554 608.859 PRESSAVG: 1841400 -23.3729 -31.8701 -9.09975 -31.87 -2.34116 -27.9643 -9.09966 -27.9644 -0.270518 GPRESSAVG: 1841400 -22.5839 -33.1285 -10.2489 -30.8011 -4.98818 -30.9092 -10.7624 -27.7987 1.49302 TIMING: 1841400 CPU: 5807.37, 0.00316708/step Wall: 5807.37, 0.00316708/step, 2.77876 hours remaining, 237.636719 MB of memory in use. ENERGY: 1841400 4041.7928 20601.7354 14472.7000 249.1869 -203587.7116 2920.5712 0.0000 0.0000 52228.4670 -109073.2582 300.1577 -161301.7253 -108714.8143 300.0892 323.1715 359.5181 762277.1477 -8.6615 -8.6930 PRESSURE: 1841600 -352.312 93.1109 123.888 93.1114 -342.639 -398.709 123.889 -398.709 -142.094 GPRESSURE: 1841600 -332.325 63.849 75.1948 51.2807 -308.924 -360.741 27.4283 -252.671 -104.527 PRESSAVG: 1841600 -46.5551 -21.5824 29.8246 -21.5824 34.5944 -14.8894 29.8246 -14.8893 -38.14 GPRESSAVG: 1841600 -46.266 -22.0727 29.0223 -21.5053 35.5261 -12.8582 29.7792 -15.1367 -39.009 TIMING: 1841600 CPU: 5808.01, 0.00317614/step Wall: 5808.01, 0.00317614/step, 2.78654 hours remaining, 237.636719 MB of memory in use. ENERGY: 1841600 4018.8597 20487.7563 14380.4069 249.4787 -202755.4914 2284.9945 0.0000 0.0000 52204.2927 -109129.7027 300.0188 -161333.9954 -108763.5559 299.4779 -279.0149 -248.5919 762622.6589 -16.7002 -16.5830 PRESSURE: 1841800 14.6591 -176.501 38.1637 -176.501 -59.8078 23.248 38.1641 23.2484 -226.98 GPRESSURE: 1841800 -30.9907 -49.3112 50.512 -101.029 25.323 58.8156 15.6675 -87.982 -167.136 PRESSAVG: 1841800 -11.7588 57.7912 -14.7999 57.7912 34.1456 8.67036 -14.7998 8.67034 -16.4251 GPRESSAVG: 1841800 -12.5624 60.119 -12.5254 57.6377 34.2772 8.57409 -13.7995 9.0346 -15.8779 TIMING: 1841800 CPU: 5808.64, 0.00317866/step Wall: 5808.64, 0.00317866/step, 2.78857 hours remaining, 237.636719 MB of memory in use. ENERGY: 1841800 3925.7701 20685.4320 14392.6095 239.4524 -203366.7640 2827.1760 0.0000 0.0000 52105.7404 -109190.5836 299.4524 -161296.3240 -108841.3480 299.4567 -90.7097 -57.6012 762872.4674 1.9872 1.9457 PRESSURE: 1842000 -104.766 144.268 -146.372 144.268 239.731 51.7855 -146.372 51.7858 -99.8474 GPRESSURE: 1842000 -72.2828 131.095 -155.817 77.801 276.1 63.805 -171.72 85.2843 -77.2274 PRESSAVG: 1842000 -27.1678 -14.4333 -58.0802 -14.4333 3.55712 8.25425 -58.0801 8.25423 3.81892 GPRESSAVG: 1842000 -26.2223 -15.5686 -61.0924 -14.7189 3.91754 6.66588 -55.7003 7.89278 2.32949 TIMING: 1842000 CPU: 5809.28, 0.00317926/step Wall: 5809.28, 0.00317926/step, 2.78892 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1842000 4065.4563 20706.1203 14484.5948 228.6505 -203212.4892 2576.0739 0.0000 0.0000 52210.5733 -108941.0201 300.0549 -161151.5934 -108578.8917 299.9874 11.7057 42.1968 762843.2520 -6.5972 -6.6584 PRESSURE: 1842200 -16.1129 -152.524 -8.85257 -152.524 325.065 43.8018 -8.85182 43.8021 -245.017 GPRESSURE: 1842200 88.2565 -243.265 -27.7396 -114.695 302.158 19.7783 -9.043 -63.8451 -265.824 PRESSAVG: 1842200 22.091 -26.6435 -39.8177 -26.6435 24.4784 -23.4708 -39.8177 -23.4708 -8.11555 GPRESSAVG: 1842200 21.5608 -28.4221 -38.4523 -26.738 24.8081 -23.4473 -42.5335 -24.54 -8.29782 TIMING: 1842200 CPU: 5809.92, 0.00317893/step Wall: 5809.92, 0.00317893/step, 2.78846 hours remaining, 237.636719 MB of memory in use. ENERGY: 1842200 3966.8094 20754.3807 14475.5774 254.4680 -203259.0335 2777.2539 0.0000 0.0000 52161.8760 -108868.6680 299.7750 -161030.5441 -108509.7982 300.5695 21.3118 41.5305 763125.0402 12.8179 12.6904 PRESSURE: 1842400 241.235 -63.2175 114.35 -63.2169 -242.119 -138.62 114.351 -138.621 -38.8797 GPRESSURE: 1842400 218.386 -5.7169 80.8701 28.8086 -184.755 -96.4714 42.5476 -114.162 2.31075 PRESSAVG: 1842400 -8.61844 -37.0859 32.0733 -37.0859 13.5573 -0.651593 32.0733 -0.651633 -22.2982 GPRESSAVG: 1842400 -7.29587 -34.2464 32.6872 -36.9534 12.8994 -0.388381 30.4204 0.202563 -22.9802 TIMING: 1842400 CPU: 5810.55, 0.00315452/step Wall: 5810.55, 0.00315452/step, 2.76686 hours remaining, 237.636719 MB of memory in use. ENERGY: 1842400 3972.7430 20651.5723 14427.5830 248.3790 -203151.8163 2609.1555 0.0000 0.0000 52207.4747 -109034.9088 300.0371 -161242.3835 -108658.8843 299.9636 -13.2543 11.9807 763701.9067 -5.7864 -5.7922 PRESSURE: 1842600 -288.014 12.5047 171.992 12.5037 -239.015 125.079 171.992 125.08 -30.3641 GPRESSURE: 1842600 -272.557 -130.291 232.102 68.472 -215.364 148.217 136.511 59.6002 -8.38556 PRESSAVG: 1842600 -32.5134 -33.8014 31.2951 -33.8014 42.1687 -43.8432 31.2952 -43.8432 38.4931 GPRESSAVG: 1842600 -33.8716 -35.6389 31.454 -35.0038 42.1445 -43.848 31.8441 -43.3487 39.8679 TIMING: 1842600 CPU: 5811.19, 0.0032162/step Wall: 5811.19, 0.0032162/step, 2.82079 hours remaining, 237.636719 MB of memory in use. ENERGY: 1842600 4056.8038 20621.1822 14535.6254 253.0874 -203851.8617 2935.5209 0.0000 0.0000 51981.5440 -109468.0980 298.7386 -161449.6420 -109121.4414 299.6317 -185.7979 -165.4356 763561.1786 16.0495 16.0469 PRESSURE: 1842800 21.01 -128.976 113.292 -128.976 400.491 -81.4472 113.292 -81.448 64.1494 GPRESSURE: 1842800 112.536 -106.141 95.4096 -135.352 348.709 -108.641 197.18 1.94002 107.158 PRESSAVG: 1842800 -28.0433 -85.2142 13.269 -85.2142 -15.7113 -6.18082 13.2689 -6.18092 -6.41811 GPRESSAVG: 1842800 -27.4538 -84.2072 13.5972 -84.5637 -15.325 -5.96762 14.7651 -6.22812 -6.7856 TIMING: 1842800 CPU: 5811.83, 0.00318099/step Wall: 5811.83, 0.00318099/step, 2.78973 hours remaining, 237.636719 MB of memory in use. ENERGY: 1842800 3960.2810 20507.9470 14484.5002 254.7128 -203926.6690 2990.6170 0.0000 0.0000 52053.7503 -109674.8609 299.1536 -161728.6111 -109311.9924 298.9576 161.8834 189.4675 762120.7183 -16.7242 -16.5215 PRESSURE: 1843000 -183.948 -39.0199 -43.7127 -39.0203 -80.2659 191.635 -43.713 191.634 -35.2694 GPRESSURE: 1843000 -184.513 5.1377 -13.5728 -138.183 -8.07993 225.998 41.1903 194.713 -18.4678 PRESSAVG: 1843000 18.5489 -48.985 27.2429 -48.985 32.2679 52.9917 27.2429 52.9917 26.2562 GPRESSAVG: 1843000 19.164 -48.8568 25.3445 -48.4731 31.5471 51.5702 26.7155 53.4585 26.6317 TIMING: 1843000 CPU: 5812.46, 0.00319132/step Wall: 5812.46, 0.00319132/step, 2.79861 hours remaining, 237.636719 MB of memory in use. ENERGY: 1843000 3953.5825 20578.1566 14475.2218 242.6927 -203452.6163 2480.0420 0.0000 0.0000 51828.6395 -109894.2812 297.8599 -161722.9207 -109535.7527 298.7313 -99.8277 -70.3537 761881.2802 25.6910 25.7809 PRESSURE: 1843200 -116.839 -144.632 99.2219 -144.632 -65.7528 -54.5128 99.2214 -54.5123 141.442 GPRESSURE: 1843200 15.8866 -116.713 119.332 -98.4779 -1.87842 12.7215 122.728 38.06 36.804 PRESSAVG: 1843200 19.294 -28.6543 25.8304 -28.6544 -20.404 46.6826 25.8304 46.6826 0.110177 GPRESSAVG: 1843200 19.1298 -30.4909 26.264 -29.3149 -20.4056 47.2804 28.9411 45.3951 0.0279468 TIMING: 1843200 CPU: 5813.1, 0.00318015/step Wall: 5813.1, 0.00318015/step, 2.78864 hours remaining, 237.636719 MB of memory in use. ENERGY: 1843200 4047.2885 20624.8022 14441.6127 256.3803 -203708.1838 2600.3564 0.0000 0.0000 51862.5317 -109875.2120 298.0547 -161737.7438 -109514.8684 298.4581 -13.7166 16.9374 761387.5299 -0.3333 -0.4160 PRESSURE: 1843400 82.3184 -21.3 -39.3217 -21.2985 -127.243 -51.0352 -39.3217 -51.0352 163.95 GPRESSURE: 1843400 141.046 53.3836 -82.8584 13.0233 -87.907 -65.663 -26.1215 30.9043 166.772 PRESSAVG: 1843400 -26.8599 -5.15657 43.3859 -5.15652 -25.4943 20.5907 43.3859 20.5907 3.30502 GPRESSAVG: 1843400 -26.9078 -4.24844 42.0659 -3.02704 -25.1828 19.5133 41.0959 22.4534 2.97097 TIMING: 1843400 CPU: 5813.73, 0.0031703/step Wall: 5813.73, 0.0031703/step, 2.77983 hours remaining, 237.636719 MB of memory in use. ENERGY: 1843400 4056.7358 20529.4147 14424.9368 250.4141 -203873.3762 2707.8275 0.0000 0.0000 52193.2203 -109710.8271 299.9552 -161904.0474 -109340.9710 298.7398 39.6750 73.3038 759767.4848 -16.3497 -16.3732 PRESSURE: 1843600 -220.723 10.3633 241.82 10.362 -218.318 -104.057 241.82 -104.056 488.025 GPRESSURE: 1843600 -171.865 17.0485 230.694 0.760814 -198.806 -137.909 177.309 -201.212 512.003 PRESSAVG: 1843600 -23.3802 -10.185 44.3331 -10.1851 12.5304 39.6917 44.3331 39.6917 -10.8 GPRESSAVG: 1843600 -23.6055 -9.14815 46.7079 -13.8453 11.8573 41.3765 43.1294 37.4915 -9.56022 TIMING: 1843600 CPU: 5814.37, 0.00318817/step Wall: 5814.37, 0.00318817/step, 2.79531 hours remaining, 237.636719 MB of memory in use. ENERGY: 1843600 4007.8606 20557.2816 14449.3878 242.2160 -203483.6611 2418.5033 0.0000 0.0000 52020.3243 -109788.0874 298.9615 -161808.4117 -109421.8539 299.2359 16.3280 47.1104 760339.7301 -7.2166 -7.1028 PRESSURE: 1843800 -89.9409 -219.988 -114.814 -219.988 -39.0033 267.331 -114.814 267.331 -143.647 GPRESSURE: 1843800 -81.312 -286.464 -82.0064 -167.967 131.434 271.093 -32.9626 311.344 -241.271 PRESSAVG: 1843800 -97.6464 -24.3104 38.14 -24.3104 75.0869 5.34185 38.14 5.34185 -7.0872 GPRESSAVG: 1843800 -98.7326 -24.1097 38.3844 -21.0844 76.2304 4.38376 39.7897 5.86531 -7.65403 TIMING: 1843800 CPU: 5815.02, 0.00323292/step Wall: 5815.02, 0.00323292/step, 2.83437 hours remaining, 237.636719 MB of memory in use. ENERGY: 1843800 4012.3461 20646.6048 14482.8182 240.8856 -203674.3366 2642.8819 0.0000 0.0000 51982.3350 -109666.4649 298.7432 -161648.8000 -109303.8522 298.8905 -90.8639 -63.7164 760981.6687 -9.8822 -10.0521 PRESSURE: 1844000 -169.378 41.3369 -20.872 41.3365 83.8029 217.3 -20.8713 217.301 -487.172 GPRESSURE: 1844000 -101.934 -112.318 -61.7062 -78.0562 80.2783 202.045 -32.5885 189.742 -467.78 PRESSAVG: 1844000 -52.6543 -55.9791 -2.19509 -55.9791 50.4853 8.11203 -2.19512 8.11214 10.7886 GPRESSAVG: 1844000 -52.4237 -56.8246 -2.43319 -57.9104 50.1351 8.268 -2.38486 9.09437 11.0713 TIMING: 1844000 CPU: 5815.65, 0.00317231/step Wall: 5815.65, 0.00317231/step, 2.78106 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1844000 4060.9626 20611.3396 14499.6394 242.4845 -203681.6969 2565.9931 0.0000 0.0000 52099.3210 -109601.9565 299.4155 -161701.2776 -109233.7166 298.9317 -190.9158 -163.1451 762118.8937 2.8732 2.9276 PRESSURE: 1844200 -266.404 85.3431 -338.197 85.3427 209.038 -115.628 -338.197 -115.628 -186.618 GPRESSURE: 1844200 -170.613 68.5911 -338.603 69.1015 235.993 -94.692 -308.734 -162.676 -218.759 PRESSAVG: 1844200 -25.1996 -26.5827 6.50876 -26.5827 45.0392 42.3325 6.50872 42.3326 -12.9338 GPRESSAVG: 1844200 -24.1291 -25.5793 6.4049 -27.4036 45.2579 42.3526 5.75749 40.0093 -14.022 TIMING: 1844200 CPU: 5816.3, 0.00324431/step Wall: 5816.3, 0.00324431/step, 2.844 hours remaining, 237.636719 MB of memory in use. ENERGY: 1844200 4042.0899 20582.7585 14496.4639 239.8437 -203643.3196 2762.9114 0.0000 0.0000 52142.1158 -109377.1364 299.6615 -161519.2522 -109014.5737 299.5240 -81.3282 -51.1264 762451.1288 2.3019 2.3689 LDB: ============= START OF LOAD BALANCING ============== 5828.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5828.71 LDB: =============== DONE WITH MIGRATION ================ 5828.71 LDB: ============= START OF LOAD BALANCING ============== 5829.03 LDB: Largest compute 7034 load 0.036672 is 18.7% of average load 0.195881 LDB: Average compute 0.004396 is 2.2% of average load 0.195881 LDB: TIME 5829.04 LOAD: AVG 0.195881 MAX 0.216202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.918 MB LDB: TIME 5829.04 LOAD: AVG 0.195881 MAX 0.216202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 5829.04 LOAD: AVG 0.195881 MAX 0.216202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: ============== END OF LOAD BALANCING =============== 5829.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5829.04 PRESSURE: 1844400 -173.66 -140.966 -73.5934 -140.967 -93.5521 140.293 -73.5933 140.294 -312.015 GPRESSURE: 1844400 -108.2 -103.513 -146.466 -173.813 -107.795 63.5512 -91.1767 121.87 -292.627 PRESSAVG: 1844400 1.12622 -36.1976 -0.222929 -36.1976 31.5483 4.09216 -0.222874 4.09218 12.0728 GPRESSAVG: 1844400 -0.765072 -36.5227 0.969725 -37.0633 31.437 5.15616 -3.06028 5.38113 13.5947 TIMING: 1844400 CPU: 5816.96, 0.00329101/step Wall: 5816.96, 0.00329101/step, 2.88475 hours remaining, 239.179688 MB of memory in use. ENERGY: 1844400 4052.8589 20598.5206 14504.8922 256.9554 -203444.2594 2638.5243 0.0000 0.0000 52212.8237 -109179.6843 300.0678 -161392.5080 -108822.2218 299.7736 -193.0756 -169.5409 763159.1084 14.9158 14.7555 PRESSURE: 1844600 -242.542 14.9147 -18.8182 14.9142 106.809 -31.6668 -18.8178 -31.667 -124.528 GPRESSURE: 1844600 -211.943 55.8007 -1.02901 3.08349 160.092 -123.555 -72.9498 -122.148 -119.792 PRESSAVG: 1844600 -14.2188 -63.119 -13.7981 -63.119 1.86047 37.3028 -13.7981 37.3028 1.62542 GPRESSAVG: 1844600 -12.2404 -63.383 -13.4328 -62.0943 0.796079 35.8013 -12.7809 37.0208 0.79211 TIMING: 1844600 CPU: 5817.6, 0.00319599/step Wall: 5817.6, 0.00319599/step, 2.80129 hours remaining, 239.179688 MB of memory in use. ENERGY: 1844600 4071.7032 20561.7585 14554.2846 244.6581 -203468.8433 2742.8265 0.0000 0.0000 52204.6296 -109088.9829 300.0207 -161293.6124 -108737.0832 300.1816 -86.7538 -57.2141 762613.3291 -3.5776 -3.5507 PRESSURE: 1844800 -44.3719 -58.3775 -138.566 -58.3771 -247.489 20.608 -138.566 20.6083 105.731 GPRESSURE: 1844800 75.4206 -96.2873 -84.1237 23.8685 -268.1 22.7078 -45.5083 27.8662 94.624 PRESSAVG: 1844800 -8.70995 -35.6905 -53.9959 -35.6906 8.09526 -14.8858 -53.9959 -14.8858 -8.51975 GPRESSAVG: 1844800 -9.81429 -35.4201 -54.7657 -34.2326 9.44566 -15.4174 -52.4811 -13.2543 -8.3546 TIMING: 1844800 CPU: 5818.24, 0.00320082/step Wall: 5818.24, 0.00320082/step, 2.80534 hours remaining, 239.179688 MB of memory in use. ENERGY: 1844800 4025.7126 20678.6909 14434.0404 255.8244 -203333.0411 2633.8411 0.0000 0.0000 52110.9339 -109193.9979 299.4823 -161304.9318 -108824.4610 299.9358 -62.0434 -32.6853 762690.1458 -3.0448 -2.9077 PRESSURE: 1845000 -298.02 -197.14 136.157 -197.141 -13.6221 1.37847 136.155 1.37885 -188.705 GPRESSURE: 1845000 -294.625 -194.289 181.176 -196.612 25.5604 -6.15391 188.562 156.608 -148.744 PRESSAVG: 1845000 -33.7793 -54.4281 -0.937049 -54.4282 17.4513 -3.18993 -0.937074 -3.18993 4.31972 GPRESSAVG: 1845000 -33.933 -53.409 -0.677189 -54.7452 17.2624 -3.85676 -2.42473 -3.08833 4.72721 TIMING: 1845000 CPU: 5818.88, 0.00318364/step Wall: 5818.88, 0.00318364/step, 2.79011 hours remaining, 239.179688 MB of memory in use. ENERGY: 1845000 4101.0474 20426.5974 14468.1781 239.3920 -203439.3677 2745.2530 0.0000 0.0000 52178.5121 -109280.3876 299.8706 -161458.8998 -108917.0977 299.6153 -166.7824 -139.2698 764267.7647 -4.0027 -3.9811 PRESSURE: 1845200 9.73296 130.769 -57.405 130.77 -279.725 89.5245 -57.4054 89.5247 -518.765 GPRESSURE: 1845200 6.93298 75.5778 -121.656 78.3128 -205.543 112.645 -41.0934 15.4357 -538.574 PRESSAVG: 1845200 -45.1815 -23.3623 42.578 -23.3623 29.4069 -18.0704 42.5779 -18.0703 -2.39572 GPRESSAVG: 1845200 -44.6362 -23.1669 43.732 -24.4607 29.4678 -15.3045 43.4278 -19.3078 -3.14242 TIMING: 1845200 CPU: 5819.51, 0.00317075/step Wall: 5819.51, 0.00317075/step, 2.77864 hours remaining, 239.179688 MB of memory in use. ENERGY: 1845200 4023.8927 20571.3561 14475.5379 234.4752 -203260.8912 2318.4269 0.0000 0.0000 52200.3466 -109436.8559 299.9961 -161637.2024 -109077.1419 299.0453 -262.9192 -245.7280 762466.5167 -6.0568 -6.1036 PRESSURE: 1845400 26.3095 -3.37398 -16.9835 -3.37373 -140.383 -41.2066 -16.9845 -41.2064 70.8523 GPRESSURE: 1845400 157.837 -39.5677 25.2757 36.8777 -133.542 -108.435 97.2901 -52.3933 15.5859 PRESSAVG: 1845400 -21.5753 -25.9991 -13.0679 -25.9991 50.5519 -38.2701 -13.0678 -38.2702 6.81614 GPRESSAVG: 1845400 -21.1579 -27.2864 -15.9395 -23.6303 49.734 -38.7253 -11.0212 -39.7802 7.11288 TIMING: 1845400 CPU: 5820.15, 0.00322016/step Wall: 5820.15, 0.00322016/step, 2.82176 hours remaining, 239.179688 MB of memory in use. ENERGY: 1845400 4044.5948 20554.4241 14464.9862 244.9428 -203631.2416 2677.1552 0.0000 0.0000 52078.2452 -109566.8933 299.2944 -161645.1385 -109211.8847 299.4246 -14.4070 13.2934 760383.7115 11.9309 11.8963 PRESSURE: 1845600 -63.8396 194.22 -219.121 194.219 -61.6097 61.3514 -219.121 61.3506 249.485 GPRESSURE: 1845600 64.4656 20.9987 -166.678 159.184 -26.001 104.246 -202.447 92.1706 165.305 PRESSAVG: 1845600 -14.5785 -43.666 -0.257951 -43.6661 5.42427 22.8281 -0.257961 22.8282 -21.1372 GPRESSAVG: 1845600 -14.2798 -45.3046 3.22252 -44.0218 5.651 23.4965 -2.33644 25.2405 -21.7788 TIMING: 1845600 CPU: 5820.8, 0.00320436/step Wall: 5820.8, 0.00320436/step, 2.80773 hours remaining, 239.179688 MB of memory in use. ENERGY: 1845600 3936.8798 20599.0764 14501.4575 246.0384 -203383.4228 2531.3175 0.0000 0.0000 52120.4318 -109448.2213 299.5368 -161568.6531 -109081.7958 299.0816 41.3454 67.9233 762274.2677 -10.0971 -10.1358 PRESSURE: 1845800 -31.1004 -213.179 14.186 -213.179 -86.4182 96.098 14.1854 96.098 236.488 GPRESSURE: 1845800 22.4097 -216.674 -58.2121 -216.235 -43.4135 181.568 -47.9309 189.76 223.895 PRESSAVG: 1845800 21.3572 -80.6093 14.3625 -80.6093 -19.0192 28.25 14.3625 28.2499 10.4152 GPRESSAVG: 1845800 20.2273 -79.5264 10.0972 -81.9114 -17.9764 27.0193 16.1416 27.1905 10.3765 TIMING: 1845800 CPU: 5821.44, 0.00322953/step Wall: 5821.44, 0.00322953/step, 2.82961 hours remaining, 239.179688 MB of memory in use. ENERGY: 1845800 4053.0249 20444.4571 14476.3989 235.9166 -203626.6299 2627.5674 0.0000 0.0000 52151.2852 -109637.9798 299.7142 -161789.2650 -109277.1858 299.0850 39.6564 67.6306 760699.3793 4.2511 4.2091 PRESSURE: 1846000 71.429 -160.865 -13.991 -160.864 -279.25 28.8797 -13.9896 28.8809 124.187 GPRESSURE: 1846000 126.302 -52.4561 42.7062 -132.866 -232.626 98.2411 -161.764 -59.4745 120.214 PRESSAVG: 1846000 -2.79138 -18.2951 15.4733 -18.2951 26.001 0.562481 15.4733 0.562561 28.7901 GPRESSAVG: 1846000 -1.52207 -16.9824 17.75 -16.8934 24.7155 1.28565 13.4929 2.15276 28.9885 TIMING: 1846000 CPU: 5822.09, 0.00323762/step Wall: 5822.09, 0.00323762/step, 2.83651 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1846000 3976.5605 20531.1317 14466.9218 233.4035 -203546.3360 2573.2428 0.0000 0.0000 51980.0262 -109785.0494 298.7299 -161765.0756 -109431.5467 298.3469 -27.8782 4.6300 760850.5901 17.3333 17.3940 PRESSURE: 1846200 27.3272 122.222 -6.73486 122.221 -73.169 117.259 -6.73537 117.258 -446.933 GPRESSURE: 1846200 15.7725 176.602 15.6661 79.8363 14.1645 128.225 73.846 107.644 -447.228 PRESSAVG: 1846200 -43.2402 -33.8032 37.8654 -33.8031 15.0238 -15.7806 37.8654 -15.7806 -32.532 GPRESSAVG: 1846200 -43.536 -34.3669 36.681 -33.4451 14.5237 -16.2634 38.8362 -16.36 -31.6082 TIMING: 1846200 CPU: 5822.73, 0.00318375/step Wall: 5822.73, 0.00318375/step, 2.78914 hours remaining, 239.179688 MB of memory in use. ENERGY: 1846200 3980.8882 20533.9398 14452.8962 249.6444 -203408.2022 2638.9079 0.0000 0.0000 51871.8973 -109680.0286 298.1085 -161551.9259 -109317.6033 298.5376 -164.2582 -139.0971 761867.6146 -20.2495 -20.2068 PRESSURE: 1846400 163.245 -179.222 77.1968 -179.222 -190.168 246.965 77.1962 246.965 -432.651 GPRESSURE: 1846400 132.271 -255.036 36.0282 -200.669 -88.0953 243.374 122.417 155.032 -416.973 PRESSAVG: 1846400 -2.76567 -50.833 -4.09672 -50.833 -2.70969 25.8193 -4.09669 25.8193 14.0253 GPRESSAVG: 1846400 -4.46321 -52.1708 -4.44842 -53.1525 -1.09999 25.8907 -3.26025 25.4331 13.4365 TIMING: 1846400 CPU: 5823.37, 0.00320646/step Wall: 5823.37, 0.00320646/step, 2.80886 hours remaining, 239.179688 MB of memory in use. ENERGY: 1846400 3957.5067 20516.1593 14396.0266 235.1710 -203754.9788 2928.3577 0.0000 0.0000 51978.9028 -109742.8546 298.7235 -161721.7574 -109390.7986 299.0613 -153.1912 -124.2659 761685.9597 2.8500 2.6244 PRESSURE: 1846600 -142.663 57.3826 253.632 57.3816 36.9157 -214.079 253.633 -214.078 -35.7327 GPRESSURE: 1846600 -94.9234 -66.7065 158.792 112.416 67.0162 -287.668 257.457 -208.236 -19.3041 PRESSAVG: 1846600 30.0748 -5.40479 20.1871 -5.40485 -38.4116 -26.1059 20.1871 -26.1058 -1.77722 GPRESSAVG: 1846600 29.7016 -4.36817 21.6277 -2.24024 -37.9119 -26.4791 18.027 -24.5205 -1.40418 TIMING: 1846600 CPU: 5824, 0.00318685/step Wall: 5824, 0.00318685/step, 2.7915 hours remaining, 239.179688 MB of memory in use. ENERGY: 1846600 3900.8923 20439.9484 14430.6164 237.1679 -203363.8411 2571.1596 0.0000 0.0000 51964.3967 -109819.6598 298.6401 -161784.0565 -109461.0959 298.4564 -47.1599 -15.7371 761959.6070 -3.3713 -3.2048 PRESSURE: 1846800 -387.284 -93.3781 -120.73 -93.3784 -161.187 38.6582 -120.73 38.6581 -254.886 GPRESSURE: 1846800 -275.997 -66.7685 -0.127156 -60.6895 -100.887 64.8788 -209.187 30.5723 -329.802 PRESSAVG: 1846800 -8.87901 -33.4147 11.2589 -33.4148 -48.1386 -1.31534 11.2589 -1.31535 7.28454 GPRESSAVG: 1846800 -7.68597 -33.4763 9.64329 -36.7484 -48.518 -1.44239 13.908 -3.17716 6.42437 TIMING: 1846800 CPU: 5824.65, 0.00320917/step Wall: 5824.65, 0.00320917/step, 2.81088 hours remaining, 239.179688 MB of memory in use. ENERGY: 1846800 4043.8423 20461.9269 14364.8312 281.6618 -202591.6180 2000.6727 0.0000 0.0000 51801.7005 -109636.9825 297.7051 -161438.6830 -109280.8999 298.0876 -267.7856 -235.5619 762340.2499 -16.5777 -16.5932 PRESSURE: 1847000 -197.324 96.9328 -31.9436 96.931 -268.435 -169.759 -31.9438 -169.759 38.5661 GPRESSURE: 1847000 -47.1687 44.7804 19.409 178.818 -274.553 -136.667 -29.2886 -82.3714 -24.87 PRESSAVG: 1847000 -31.5938 -40.2662 -34.7981 -40.2662 57.9616 -5.11751 -34.7981 -5.11748 16.0545 GPRESSAVG: 1847000 -31.4518 -40.3298 -33.6778 -38.0623 56.6424 -6.71947 -37.1309 -3.88293 17.1773 TIMING: 1847000 CPU: 5825.29, 0.00319685/step Wall: 5825.29, 0.00319685/step, 2.79991 hours remaining, 239.179688 MB of memory in use. ENERGY: 1847000 3965.1034 20475.7141 14415.4306 247.2767 -202848.4545 2155.8746 0.0000 0.0000 52049.5127 -109539.5423 299.1293 -161589.0550 -109172.6872 298.3684 -142.3976 -115.5305 761077.7397 14.1408 14.1226 PRESSURE: 1847200 75.7259 -36.7529 9.42376 -36.7531 -225.16 -68.9066 9.42353 -68.906 -250.155 GPRESSURE: 1847200 84.1567 -88.5837 -83.6137 -62.9734 -155.095 -103.017 64.5232 -33.9231 -248.562 PRESSAVG: 1847200 -3.543 -70.9042 -21.8446 -70.9042 -3.26939 -12.1726 -21.8446 -12.1726 4.60674 GPRESSAVG: 1847200 -3.16602 -71.1426 -24.0524 -72.209 -1.86647 -12.039 -21.6772 -11.1124 2.71634 TIMING: 1847200 CPU: 5825.93, 0.00319656/step Wall: 5825.93, 0.00319656/step, 2.79948 hours remaining, 239.179688 MB of memory in use. ENERGY: 1847200 3951.3338 20439.8959 14407.3731 238.5105 -203108.8092 2344.1635 0.0000 0.0000 51963.1116 -109764.4208 298.6327 -161727.5324 -109408.5149 298.9303 -133.1964 -106.5002 760938.2323 -0.7352 -0.7720 PRESSURE: 1847400 42.3658 -151.401 95.8359 -151.401 -6.77687 -57.8719 95.8367 -57.8708 -454.877 GPRESSURE: 1847400 3.38795 -210.226 133.017 -219.428 69.2299 -43.0689 162.548 -30.9851 -401.764 PRESSAVG: 1847400 -32.7969 -74.4954 -6.64604 -74.4954 -16.2196 -1.73638 -6.64601 -1.73634 -1.01295 GPRESSAVG: 1847400 -32.4924 -73.2525 -5.80685 -74.5758 -17.9697 -1.0867 -4.59994 -3.12576 0.109783 TIMING: 1847400 CPU: 5826.56, 0.00318703/step Wall: 5826.56, 0.00318703/step, 2.79095 hours remaining, 239.179688 MB of memory in use. ENERGY: 1847400 3956.9376 20367.9798 14426.9316 232.0460 -202884.2922 2317.6276 0.0000 0.0000 51828.6981 -109754.0713 297.8602 -161582.7694 -109391.6248 298.3934 -139.7627 -109.7155 762140.8526 -16.6765 -16.7841 PRESSURE: 1847600 129.496 -130.675 108.912 -130.674 145.699 29.9706 108.913 29.9726 -319.902 GPRESSURE: 1847600 217.174 -66.4218 62.2897 -148.518 115.748 30.9147 17.2812 141.761 -286.686 PRESSAVG: 1847600 -12.4902 -55.934 0.470809 -55.934 35.1746 58.8069 0.470821 58.8069 21.3086 GPRESSAVG: 1847600 -12.8765 -55.6749 2.10323 -57.9282 36.343 59.5375 1.04109 59.7522 20.8758 TIMING: 1847600 CPU: 5827.21, 0.00323759/step Wall: 5827.21, 0.00323759/step, 2.83505 hours remaining, 239.179688 MB of memory in use. ENERGY: 1847600 4019.6734 20408.8357 14503.9655 280.5288 -203956.5627 2793.7504 0.0000 0.0000 51986.3951 -109963.4137 298.7665 -161949.8088 -109595.5744 297.9423 -14.9024 15.4118 760390.0144 14.6643 14.7808 PRESSURE: 1847800 -129.812 9.23231 -6.13439 9.23292 -224.047 6.11396 -6.13542 6.11426 418.573 GPRESSURE: 1847800 -84.415 -91.6366 11.7663 49.6056 -155.846 -33.9229 84.8243 -23.6519 389.992 PRESSAVG: 1847800 5.4542 -37.7346 -17.0083 -37.7346 -9.22806 43.2967 -17.0083 43.2967 5.27342 GPRESSAVG: 1847800 4.94008 -40.2943 -18.1262 -37.0467 -8.39771 43.5516 -20.4134 41.9755 5.05886 TIMING: 1847800 CPU: 5827.85, 0.00319725/step Wall: 5827.85, 0.00319725/step, 2.79955 hours remaining, 239.179688 MB of memory in use. ENERGY: 1847800 3956.3742 20338.2381 14410.5689 243.6037 -203744.4937 2682.6561 0.0000 0.0000 52173.3365 -109939.7162 299.8409 -162113.0527 -109572.5450 298.0739 21.5711 49.9103 760574.7329 0.4999 0.5337 PRESSURE: 1848000 221.74 -168.34 -7.10821 -168.339 -45.6687 19.8783 -7.10937 19.8789 30.9771 GPRESSURE: 1848000 283.647 -246.945 -82.3969 -236.043 -51.9439 -34.9049 -120.129 74.5919 76.5913 PRESSAVG: 1848000 14.7424 -19.8237 -52.1531 -19.8237 -57.71 66.2972 -52.1531 66.2971 -11.9097 GPRESSAVG: 1848000 15.9901 -20.2457 -52.1289 -18.9412 -58.4975 64.3033 -50.4457 67.7047 -12.4811 TIMING: 1848000 CPU: 5828.49, 0.00321498/step Wall: 5828.49, 0.00321498/step, 2.8149 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1848000 4028.9901 20284.7225 14432.6178 235.1917 -203596.3188 2786.3296 0.0000 0.0000 52089.0144 -109739.4527 299.3563 -161828.4672 -109371.0093 298.3567 69.0163 102.7647 762628.0707 -18.2924 -18.3295 PRESSURE: 1848200 -12.192 -59.4245 -113.409 -59.4252 489.898 121.592 -113.41 121.59 -30.7647 GPRESSURE: 1848200 5.98086 -39.0597 -130.715 -107.757 528.909 117.734 -25.6126 151.833 0.170988 PRESSAVG: 1848200 -1.33865 -102.103 -34.9806 -102.103 -9.49752 26.1669 -34.9806 26.167 -8.9059 GPRESSAVG: 1848200 -2.10426 -100.547 -34.0533 -103.669 -9.17017 27.9816 -34.5948 25.6659 -9.22347 TIMING: 1848200 CPU: 5829.12, 0.00316092/step Wall: 5829.12, 0.00316092/step, 2.76738 hours remaining, 239.179688 MB of memory in use. ENERGY: 1848200 4037.7564 20419.2281 14499.4633 245.6291 -203461.4313 2735.0428 0.0000 0.0000 51761.0544 -109763.2573 297.4715 -161524.3117 -109400.8011 298.6795 148.9806 178.3538 762117.9527 -6.5807 -6.8326 LDB: ============= START OF LOAD BALANCING ============== 5841.53 LDB: ============== END OF LOAD BALANCING =============== 5841.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5841.53 LDB: ============= START OF LOAD BALANCING ============== 5841.85 LDB: Largest compute 7034 load 0.038480 is 19.6% of average load 0.195924 LDB: Average compute 0.004387 is 2.2% of average load 0.195924 LDB: TIME 5841.85 LOAD: AVG 0.195924 MAX 0.214458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.465 MB LDB: TIME 5841.85 LOAD: AVG 0.195924 MAX 0.214458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.531 MB LDB: TIME 5841.85 LOAD: AVG 0.195924 MAX 0.214458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.531 MB LDB: ============== END OF LOAD BALANCING =============== 5841.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5841.86 PRESSURE: 1848400 231.491 99.9609 184.875 99.9613 -351.828 183.617 184.875 183.617 111.664 GPRESSURE: 1848400 185.47 63.9104 37.9758 128.712 -249.293 198.029 141.05 67.6596 113.234 PRESSAVG: 1848400 66.3452 -79.0657 -1.92837 -79.0657 -41.7587 17.4586 -1.92838 17.4586 -19.5736 GPRESSAVG: 1848400 65.5035 -79.8702 -4.42979 -77.1103 -42.9959 17.3394 -1.45774 15.7762 -17.4991 TIMING: 1848400 CPU: 5829.77, 0.00324716/step Wall: 5829.77, 0.00324716/step, 2.84271 hours remaining, 237.695312 MB of memory in use. ENERGY: 1848400 3998.0004 20440.6791 14383.1139 272.6412 -203590.5321 2641.1483 0.0000 0.0000 51962.4234 -109892.5260 298.6288 -161854.9493 -109525.1887 298.2126 -2.8912 16.4702 761799.3884 1.6709 1.6695 PRESSURE: 1848600 -196.328 -70.3982 -201.454 -70.3969 147.755 -243.573 -201.453 -243.573 -198.23 GPRESSURE: 1848600 -66.9337 -164.696 -266.807 -140.506 133.749 -159.923 -61.0459 -194.044 -240.529 PRESSAVG: 1848600 -29.4044 -4.09493 16.9297 -4.0949 -0.00220365 11.1186 16.9297 11.1187 2.62002 GPRESSAVG: 1848600 -28.6864 -4.52086 19.09 -4.01587 -0.2679 10.5618 16.0553 11.7776 2.10016 TIMING: 1848600 CPU: 5830.42, 0.00320512/step Wall: 5830.42, 0.00320512/step, 2.80573 hours remaining, 237.695312 MB of memory in use. ENERGY: 1848600 4032.6714 20657.1489 14421.4786 258.3769 -203928.8995 2759.2808 0.0000 0.0000 51966.2317 -109833.7113 298.6506 -161799.9430 -109466.0165 297.6128 -82.2675 -57.9047 761526.3771 -8.9289 -8.9514 PRESSURE: 1848800 -213.231 -298.71 197.591 -298.71 248.782 -241.366 197.591 -241.366 -144.252 GPRESSURE: 1848800 -133.436 -266.245 332.338 -209.09 249.647 -279.584 177.784 -222.468 -115.219 PRESSAVG: 1848800 -44.1829 -40.47 -0.961552 -40.4701 8.43023 0.619251 -0.961584 0.61935 -22.9436 GPRESSAVG: 1848800 -44.3658 -39.1107 0.413677 -42.6648 9.56533 1.8184 -2.31222 -0.0268959 -24.1545 TIMING: 1848800 CPU: 5831.05, 0.00319856/step Wall: 5831.05, 0.00319856/step, 2.79981 hours remaining, 237.695312 MB of memory in use. ENERGY: 1848800 3970.3150 20570.3369 14339.5626 259.6425 -203637.5017 2695.3241 0.0000 0.0000 51819.8440 -109982.4766 297.8094 -161802.3206 -109612.3565 297.9716 -36.2338 0.3305 760989.2884 -19.5654 -19.6517 PRESSURE: 1849000 -342.151 -94.693 -131.177 -94.6926 186.429 31.1123 -131.178 31.1122 313.271 GPRESSURE: 1849000 -147.674 -87.314 -91.8572 -31.8381 67.1045 -12.2756 -55.3133 32.512 317.94 PRESSAVG: 1849000 -65.4039 7.91825 -39.5957 7.91821 25.0039 -22.1013 -39.5957 -22.1013 -14.8732 GPRESSAVG: 1849000 -65.4016 9.21359 -41.0126 9.39627 25.7122 -21.7383 -39.1067 -21.7102 -15.2795 TIMING: 1849000 CPU: 5831.69, 0.0031857/step Wall: 5831.69, 0.0031857/step, 2.78837 hours remaining, 237.695312 MB of memory in use. ENERGY: 1849000 3975.1050 20518.2149 14408.3728 233.0714 -203778.9608 2816.3505 0.0000 0.0000 51920.5320 -109907.3141 298.3880 -161827.8462 -109553.2637 297.9365 52.5164 79.1236 760426.0170 -18.4244 -18.3230 PRESSURE: 1849200 91.4515 55.4972 70.7491 55.4969 307.467 -135.301 70.7494 -135.301 225.529 GPRESSURE: 1849200 122.241 39.1373 54.2827 116.301 302.563 -21.9964 54.9573 -196.442 269.252 PRESSAVG: 1849200 -14.1214 6.20606 5.72804 6.20598 46.355 -3.77598 5.7281 -3.77596 -6.52761 GPRESSAVG: 1849200 -13.6932 5.1808 5.72148 7.53912 45.2508 -4.86203 7.12574 -5.54939 -6.50669 TIMING: 1849200 CPU: 5832.33, 0.00318172/step Wall: 5832.33, 0.00318172/step, 2.78471 hours remaining, 237.695312 MB of memory in use. ENERGY: 1849200 3950.7713 20560.3857 14385.2445 250.7827 -204218.6387 2884.6746 0.0000 0.0000 52286.6828 -109900.0970 300.4923 -162186.7798 -109543.7157 298.4491 208.1490 231.3520 760272.2142 8.5687 8.3503 PRESSURE: 1849400 291.702 -120.814 -166.657 -120.815 -16.0772 236.57 -166.657 236.57 157.891 GPRESSURE: 1849400 372.842 50.4351 -154.136 -138.124 -29.3595 247.348 -51.4751 212.399 184.231 PRESSAVG: 1849400 1.2098 -17.333 -10.2412 -17.3329 -8.34259 -27.2973 -10.2412 -27.2972 5.2301 GPRESSAVG: 1849400 0.177184 -16.7171 -10.4398 -19.0097 -7.91051 -26.9188 -9.53943 -25.5833 5.78888 TIMING: 1849400 CPU: 5832.97, 0.00321581/step Wall: 5832.97, 0.00321581/step, 2.81437 hours remaining, 237.695312 MB of memory in use. ENERGY: 1849400 3980.2447 20477.8767 14405.3897 232.7485 -203433.5312 2462.8235 0.0000 0.0000 51903.4157 -109971.0325 298.2896 -161874.4482 -109608.1448 298.3956 144.5054 175.9044 761448.1595 -0.6342 -0.6482 PRESSURE: 1849600 663.954 84.9481 121.646 84.9482 69.2791 112.066 121.646 112.067 293.804 GPRESSURE: 1849600 665.079 72.4561 68.6969 -2.19854 176.767 23.6435 132.869 112.677 266.768 PRESSAVG: 1849600 19.8223 -37.3188 -12.6383 -37.3188 10.308 36.4634 -12.6382 36.4633 14.1834 GPRESSAVG: 1849600 21.4021 -39.3037 -11.2308 -37.5836 9.56009 37.6632 -12.6883 36.0731 13.4358 TIMING: 1849600 CPU: 5833.61, 0.00319576/step Wall: 5833.61, 0.00319576/step, 2.79664 hours remaining, 237.695312 MB of memory in use. ENERGY: 1849600 3994.5219 20316.8765 14391.1264 243.0101 -204167.5005 3185.7023 0.0000 0.0000 52101.3329 -109934.9305 299.4271 -162036.2633 -109572.3269 298.5802 342.3459 369.5379 761351.9269 14.7712 14.7993 PRESSURE: 1849800 -1.71187 15.4221 -49.1383 15.4235 44.6559 -13.5102 -49.1367 -13.5099 -125.776 GPRESSURE: 1849800 17.8588 34.001 23.1635 -66.4311 114.736 33.9798 -27.9183 -86.4053 -123.525 PRESSAVG: 1849800 -32.4053 -57.6828 -36.5795 -57.6828 70.8234 -22.2917 -36.5796 -22.2916 -36.2914 GPRESSAVG: 1849800 -33.8912 -54.9031 -35.6055 -57.3917 72.1441 -23.3886 -37.9116 -21.8022 -35.9611 TIMING: 1849800 CPU: 5834.25, 0.0032157/step Wall: 5834.25, 0.0032157/step, 2.81391 hours remaining, 237.695312 MB of memory in use. ENERGY: 1849800 3947.0100 20435.9363 14397.2077 242.0451 -203496.4629 2569.3706 0.0000 0.0000 52055.9949 -109848.8983 299.1665 -161904.8933 -109487.3597 298.6753 -27.6108 3.0233 762962.3090 0.7089 0.7639 PRESSURE: 1850000 -366.585 121.59 134.686 121.59 -321.23 134.662 134.688 134.662 -74.5996 GPRESSURE: 1850000 -344.267 39.4459 55.0496 93.1096 -291.309 143.895 157.899 70.2433 -41.669 PRESSAVG: 1850000 28.3617 -37.9565 -52.6192 -37.9565 26.0092 -37.423 -52.6192 -37.423 15.874 GPRESSAVG: 1850000 30.0417 -40.6027 -53.6714 -39.1651 23.9542 -36.5917 -50.9496 -38.0146 16.2688 TIMING: 1850000 CPU: 5834.9, 0.00320585/step Wall: 5834.9, 0.00320585/step, 2.80512 hours remaining, 237.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1850000 3976.2792 20411.9092 14431.2130 245.9938 -203687.2811 2724.6034 0.0000 0.0000 52014.3115 -109882.9710 298.9270 -161897.2825 -109518.2288 298.3379 -254.1384 -225.7481 761649.4860 23.4150 23.4216 PRESSURE: 1850200 64.4956 -123.315 -62.85 -123.314 -97.8995 75.5641 -62.8504 75.5632 316.999 GPRESSURE: 1850200 103.431 -178.316 -51.2799 -165.017 -67.7201 -10.0395 -81.2388 110.584 342.236 PRESSAVG: 1850200 46.6955 -86.4855 -38.1807 -86.4854 -14.2788 65.1201 -38.1807 65.1201 21.4005 GPRESSAVG: 1850200 44.8407 -85.2418 -37.6413 -84.9084 -12.9057 65.1967 -39.3996 64.1524 21.7719 TIMING: 1850200 CPU: 5835.53, 0.00319041/step Wall: 5835.53, 0.00319041/step, 2.79143 hours remaining, 237.695312 MB of memory in use. ENERGY: 1850200 3911.2926 20463.7655 14426.1743 253.8321 -203729.8281 2836.8137 0.0000 0.0000 52126.8828 -109711.0670 299.5739 -161837.9498 -109334.1138 298.8662 94.5316 125.9822 759754.8756 17.9391 17.9023 PRESSURE: 1850400 149.621 -330.372 -15.7259 -330.372 166.02 23.6171 -15.7264 23.6179 -39.9564 GPRESSURE: 1850400 161.845 -303.249 12.6189 -373.964 109.059 -0.883353 26.7551 47.0635 99.0229 PRESSAVG: 1850400 3.91994 -67.1024 -64.1815 -67.1024 44.5181 27.533 -64.1816 27.533 -21.5344 GPRESSAVG: 1850400 4.17934 -67.5925 -64.1754 -67.0198 44.1012 28.0284 -64.5712 28.2322 -21.4429 TIMING: 1850400 CPU: 5836.17, 0.00318165/step Wall: 5836.17, 0.00318165/step, 2.78359 hours remaining, 237.695312 MB of memory in use. ENERGY: 1850400 3943.8218 20544.4685 14421.4227 267.3940 -203842.0465 2961.0560 0.0000 0.0000 52144.8595 -109559.0241 299.6772 -161703.8836 -109186.7995 299.2448 91.8949 123.3091 761203.7213 8.9679 8.9459 PRESSURE: 1850600 414.31 -220.983 185.508 -220.983 407.306 -180.942 185.508 -180.942 -65.3801 GPRESSURE: 1850600 458.898 -159.709 196.353 -364.488 364.128 -126.658 13.8856 -239.696 26.4385 PRESSAVG: 1850600 14.4474 -71.3076 -15.0377 -71.3077 32.0733 -25.811 -15.0377 -25.811 8.18329 GPRESSAVG: 1850600 14.465 -71.7688 -15.3051 -71.9482 31.1071 -26.8954 -12.5901 -25.3213 9.0979 TIMING: 1850600 CPU: 5836.81, 0.00318724/step Wall: 5836.81, 0.00318724/step, 2.7883 hours remaining, 237.695312 MB of memory in use. ENERGY: 1850600 3943.1925 20412.5031 14369.1954 256.6965 -203583.0682 2763.5937 0.0000 0.0000 52192.9806 -109644.9063 299.9538 -161837.8869 -109270.8851 299.2750 252.0786 283.1549 760858.3190 18.2347 18.2233 PRESSURE: 1850800 -92.5021 -3.15293 -373.603 -3.15305 34.657 -226.233 -373.603 -226.233 -127.338 GPRESSURE: 1850800 -64.0918 -54.8687 -313.769 138.984 52.4694 -204.554 -232.795 -247.999 -100.063 PRESSAVG: 1850800 28.2343 -46.197 -0.342937 -46.197 10.0942 -26.9119 -0.342976 -26.9119 4.10218 GPRESSAVG: 1850800 28.5971 -46.7246 0.0793665 -44.1399 10.9209 -26.0304 -1.77046 -30.2621 2.70462 TIMING: 1850800 CPU: 5837.44, 0.00316655/step Wall: 5837.44, 0.00316655/step, 2.77003 hours remaining, 237.695312 MB of memory in use. ENERGY: 1850800 4007.8679 20542.8524 14463.3582 222.9927 -203112.0136 2351.0823 0.0000 0.0000 52001.7426 -109522.1176 298.8547 -161523.8602 -109161.4805 298.7587 -61.7278 -37.2285 763633.6653 14.1436 14.0742 PRESSURE: 1851000 -141.814 107.537 58.0234 107.537 -181.335 -52.7196 58.0242 -52.7186 -405.49 GPRESSURE: 1851000 -126.373 134.034 167.478 17.3437 -159.558 -123.788 69.9913 7.19306 -343.598 PRESSAVG: 1851000 4.62154 -70.1567 2.24377 -70.1568 -5.02637 -34.321 2.24376 -34.321 -26.1869 GPRESSAVG: 1851000 4.26259 -69.3198 2.42772 -73.8004 -5.29376 -37.3335 3.20686 -30.2992 -25.2835 TIMING: 1851000 CPU: 5838.07, 0.00316307/step Wall: 5838.07, 0.00316307/step, 2.76681 hours remaining, 237.695312 MB of memory in use. ENERGY: 1851000 3993.5973 20614.7970 14468.0019 232.0941 -203265.4297 2181.6491 0.0000 0.0000 52208.5239 -109566.7664 300.0431 -161775.2903 -109188.1569 298.8352 -242.8795 -209.8429 760985.6874 -8.8639 -8.7716 PRESSURE: 1851200 -87.3803 -137.623 -108.503 -137.623 -82.6174 123.518 -108.503 123.518 84.7041 GPRESSURE: 1851200 -69.2561 -244.428 -122.671 -83.4362 9.73955 96.9246 -100.846 165.543 62.1359 PRESSAVG: 1851200 -18.1087 -15.3399 -33.9688 -15.34 31.0038 27.8031 -33.9688 27.8031 28.2757 GPRESSAVG: 1851200 -17.0532 -14.979 -34.6432 -11.2997 29.7433 31.5719 -35.5019 25.7859 28.0517 TIMING: 1851200 CPU: 5838.7, 0.00315894/step Wall: 5838.7, 0.00315894/step, 2.76302 hours remaining, 237.695312 MB of memory in use. ENERGY: 1851200 4013.1118 20668.4843 14420.6184 263.7699 -203500.3915 2433.7467 0.0000 0.0000 52108.7141 -109591.9463 299.4695 -161700.6604 -109234.1218 299.4572 -28.4312 0.8731 760480.1353 13.7236 13.5806 PRESSURE: 1851400 137.311 93.5826 -156.568 93.5829 -117.956 -109.905 -156.568 -109.907 -115.237 GPRESSURE: 1851400 149.09 113.705 -155.137 54.2754 -63.5416 -17.1278 -120.824 -83.4083 -73.1757 PRESSAVG: 1851400 -9.44531 8.30971 -38.5 8.30971 -8.72548 21.8046 -38.5 21.8047 0.874973 GPRESSAVG: 1851400 -10.7756 7.21835 -37.9044 6.79779 -7.08232 20.4512 -38.8658 22.4473 0.163862 TIMING: 1851400 CPU: 5839.34, 0.00317047/step Wall: 5839.34, 0.00317047/step, 2.77293 hours remaining, 237.695312 MB of memory in use. ENERGY: 1851400 4021.9318 20482.7363 14454.2328 264.5673 -203336.5264 2695.8442 0.0000 0.0000 51951.6722 -109465.5418 298.5670 -161417.2140 -109101.9049 299.3973 -31.9609 4.1243 760967.7448 -5.7653 -5.8980 PRESSURE: 1851600 136.331 -133.009 -8.1302 -133.008 49.7286 -252.314 -8.13029 -252.314 245.346 GPRESSURE: 1851600 177.752 -151.021 64.9597 -86.9276 122.327 -294.444 -14.3526 -233.549 236.919 PRESSAVG: 1851600 -4.98908 -70.4154 -20.3263 -70.4154 -23.4611 40.0158 -20.3263 40.0157 1.5391 GPRESSAVG: 1851600 -5.53611 -67.211 -20.3703 -71.1702 -21.8667 39.2637 -20.5393 39.3658 0.890805 TIMING: 1851600 CPU: 5839.97, 0.00313218/step Wall: 5839.97, 0.00313219/step, 2.73927 hours remaining, 237.695312 MB of memory in use. ENERGY: 1851600 3970.5954 20486.3409 14403.0460 229.2199 -203242.1320 2608.7532 0.0000 0.0000 52186.8401 -109357.3365 299.9185 -161544.1766 -108989.8498 299.7432 143.8018 178.9993 763163.7837 -8.9704 -8.8373 PRESSURE: 1851800 397.622 -152.563 157.966 -152.563 257.117 80.9581 157.966 80.9578 -109.775 GPRESSURE: 1851800 462.612 -111.44 215.683 -111.45 281.069 41.1604 61.6447 30.9012 -106.982 PRESSAVG: 1851800 -7.19622 -95.1719 -3.7668 -95.1719 7.79132 50.5366 -3.76684 50.5365 -9.607 GPRESSAVG: 1851800 -7.59853 -96.8847 -4.81168 -96.5312 7.15476 50.3571 -1.75651 48.8519 -9.22217 TIMING: 1851800 CPU: 5840.6, 0.00317868/step Wall: 5840.6, 0.00317868/step, 2.77975 hours remaining, 237.695312 MB of memory in use. ENERGY: 1851800 4121.2425 20568.3245 14460.4002 233.9455 -203393.8554 2835.0086 0.0000 0.0000 51941.9312 -109233.0029 298.5110 -161174.9341 -108881.2798 300.0250 181.6548 212.2329 758877.9064 -3.0040 -3.2220 PRESSURE: 1852000 8.99337 60.4933 -66.2182 60.4929 168.954 109.52 -66.2188 109.52 -606.02 GPRESSURE: 1852000 6.26988 43.7427 -57.8447 2.96064 127.634 58.6249 -27.117 60.7621 -490.125 PRESSAVG: 1852000 -20.516 -56.9814 9.27508 -56.9814 24.2982 -0.0470046 9.275 -0.0470029 -3.27693 GPRESSAVG: 1852000 -19.4279 -54.3333 9.66766 -56.2103 22.6774 0.789295 9.13682 2.17045 -3.13337 TIMING: 1852000 CPU: 5841.24, 0.00318517/step Wall: 5841.24, 0.00318517/step, 2.78526 hours remaining, 237.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1852000 4079.9303 20759.7258 14383.1136 236.8065 -203485.4570 2614.2100 0.0000 0.0000 52247.8170 -109163.8538 300.2689 -161411.6708 -108819.2623 299.9635 -142.6908 -118.7402 761825.0932 0.1684 0.0387 PRESSURE: 1852200 186.785 41.6999 8.82666 41.7005 -112.788 138.608 8.82637 138.607 370.885 GPRESSURE: 1852200 166.083 -74.809 -14.8647 -111.542 -65.9219 103.176 31.1765 66.3045 438.257 PRESSAVG: 1852200 -41.429 -25.343 14.2294 -25.343 12.6587 8.87903 14.2294 8.87898 -1.54405 GPRESSAVG: 1852200 -41.3551 -28.4555 13.7208 -25.6483 12.5425 7.95945 14.4703 7.5378 -1.15433 TIMING: 1852200 CPU: 5841.87, 0.00316608/step Wall: 5841.87, 0.00316608/step, 2.76838 hours remaining, 237.695312 MB of memory in use. ENERGY: 1852200 4018.1178 20558.1602 14402.5320 247.6398 -203842.7269 3056.4644 0.0000 0.0000 52123.5567 -109436.2560 299.5548 -161559.8127 -109082.6701 299.6773 148.2939 179.4730 761858.9484 -10.1048 -9.9890 LDB: ============= START OF LOAD BALANCING ============== 5854.27 LDB: ============== END OF LOAD BALANCING =============== 5854.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5854.27 LDB: ============= START OF LOAD BALANCING ============== 5854.59 LDB: Largest compute 7034 load 0.034553 is 17.6% of average load 0.195884 LDB: Average compute 0.004399 is 2.2% of average load 0.195884 LDB: TIME 5854.59 LOAD: AVG 0.195884 MAX 0.216628 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.695 MB LDB: TIME 5854.59 LOAD: AVG 0.195884 MAX 0.216628 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.695 MB LDB: TIME 5854.59 LOAD: AVG 0.195884 MAX 0.216628 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.695 MB LDB: ============== END OF LOAD BALANCING =============== 5854.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5854.6 PRESSURE: 1852400 3.83377 47.8187 140.301 47.8186 264.486 -23.257 140.302 -23.2573 151.11 GPRESSURE: 1852400 82.4638 175.898 137.358 -38.388 270.87 -64.7861 62.8989 -71.5191 154.563 PRESSAVG: 1852400 39.3545 -36.9905 48.4916 -36.9906 -27.1119 21.7939 48.4915 21.7938 2.00384 GPRESSAVG: 1852400 39.6086 -36.7189 49.8237 -36.192 -25.4961 21.8541 46.7748 21.7513 0.6003 TIMING: 1852400 CPU: 5842.52, 0.00322734/step Wall: 5842.52, 0.00322734/step, 2.82177 hours remaining, 239.750000 MB of memory in use. ENERGY: 1852400 4019.9794 20525.8242 14410.0006 235.3514 -203224.5349 2666.3184 0.0000 0.0000 51986.4539 -109380.6070 298.7669 -161367.0609 -109012.3300 299.2643 139.8100 169.2991 760586.9770 4.7488 4.9042 PRESSURE: 1852600 121.159 110.036 157.527 110.037 -145.265 -38.5753 157.527 -38.5755 271.321 GPRESSURE: 1852600 141.085 107.326 98.9304 136.111 -120.961 -58.181 186.012 36.5464 305.12 PRESSAVG: 1852600 32.8255 -19.8072 -23.0529 -19.8072 -21.6761 14.7882 -23.0529 14.7883 3.6295 GPRESSAVG: 1852600 32.5383 -21.1083 -22.3092 -20.024 -21.2607 14.9655 -22.9206 14.8144 4.01476 TIMING: 1852600 CPU: 5843.15, 0.00317418/step Wall: 5843.15, 0.00317418/step, 2.77511 hours remaining, 239.953125 MB of memory in use. ENERGY: 1852600 3963.4628 20433.0077 14427.7260 250.5478 -202750.5820 2226.1172 0.0000 0.0000 51990.3306 -109459.3900 298.7891 -161449.7206 -109094.2843 299.6334 82.4049 108.4142 761986.0095 4.9263 5.0974 PRESSURE: 1852800 -482.602 -36.3584 -6.12995 -36.358 217.682 111.442 -6.13017 111.442 281.168 GPRESSURE: 1852800 -434.859 -88.4427 -5.78452 -48.5067 202.342 101.556 -51.8996 31.9562 325.757 PRESSAVG: 1852800 -26.853 -41.6882 20.7049 -41.6882 8.83905 20.1129 20.705 20.1129 -17.2262 GPRESSAVG: 1852800 -27.2769 -39.6261 20.4096 -43.2464 7.42103 19.1517 20.4229 18.779 -15.5966 TIMING: 1852800 CPU: 5843.79, 0.00319073/step Wall: 5843.79, 0.00319073/step, 2.7894 hours remaining, 239.953125 MB of memory in use. ENERGY: 1852800 3971.5704 20623.1705 14449.3996 259.1125 -203527.0282 2650.5173 0.0000 0.0000 52203.9400 -109369.3178 300.0168 -161573.2578 -109001.9859 299.6637 5.4163 31.0800 762444.2965 -11.7467 -11.8175 PRESSURE: 1853000 88.4228 -66.5584 39.9653 -66.5593 -443.809 55.8727 39.9653 55.8734 318.077 GPRESSURE: 1853000 85.3277 -38.562 -17.8163 -65.158 -321.713 41.3024 1.71254 135.689 256.454 PRESSAVG: 1853000 39.9933 5.64303 -5.37013 5.64297 -17.3721 27.5873 -5.37015 27.5873 16.3218 GPRESSAVG: 1853000 41.2346 4.69533 -7.34444 7.41607 -17.3314 28.6612 -3.57428 29.1436 14.0744 TIMING: 1853000 CPU: 5844.43, 0.00320172/step Wall: 5844.43, 0.00320172/step, 2.79884 hours remaining, 239.953125 MB of memory in use. ENERGY: 1853000 3977.4850 20528.3439 14461.9520 236.8985 -203411.7590 2586.2800 0.0000 0.0000 52013.1458 -109607.6537 298.9203 -161620.7995 -109232.8203 299.7288 -12.4365 6.6894 762216.2655 12.9810 12.6592 PRESSURE: 1853200 235.26 148.994 -99.7654 148.994 166.47 172.783 -99.7652 172.783 25.888 GPRESSURE: 1853200 236.23 103.969 -82.3444 109.846 182.324 95.0934 -78.8046 68.9842 64.6784 PRESSAVG: 1853200 21.8189 -11.2676 -60.5465 -11.2677 -42.7567 -12.8507 -60.5465 -12.8508 -10.4048 GPRESSAVG: 1853200 20.6182 -10.0586 -61.2576 -13.9462 -41.7197 -12.3588 -59.1395 -16.2806 -10.3272 TIMING: 1853200 CPU: 5845.07, 0.0031782/step Wall: 5845.07, 0.0031782/step, 2.7781 hours remaining, 239.953125 MB of memory in use. ENERGY: 1853200 3963.3162 20521.8958 14498.0029 257.9834 -203261.7999 2666.6976 0.0000 0.0000 51969.1305 -109384.7735 298.6673 -161353.9040 -109033.0652 298.7695 142.5394 161.0774 761858.9229 -10.4475 -10.4762 PRESSURE: 1853400 247.025 4.86546 25.7752 4.86571 227.54 160.125 25.7749 160.124 -64.8626 GPRESSURE: 1853400 309.457 1.14865 -7.33691 -55.1701 267.428 81.1874 72.4809 153.295 -98.1958 PRESSAVG: 1853400 16.6873 13.4775 -36.4104 13.4775 18.4377 3.51248 -36.4104 3.51251 10.1812 GPRESSAVG: 1853400 16.7851 12.8785 -34.086 14.3601 17.1298 2.64103 -39.4756 4.79602 11.3603 TIMING: 1853400 CPU: 5845.7, 0.00315402/step Wall: 5845.7, 0.00315402/step, 2.75679 hours remaining, 239.953125 MB of memory in use. ENERGY: 1853400 4087.2632 20505.6172 14401.5813 239.7055 -203706.5779 2922.7973 0.0000 0.0000 52214.8841 -109334.7292 300.0797 -161549.6134 -108978.5463 299.3930 136.5673 159.5630 761237.8051 15.1021 15.0917 PRESSURE: 1853600 -97.9619 -31.2678 -34.9736 -31.2676 -196.656 272.033 -34.9731 272.033 -14.5304 GPRESSURE: 1853600 -52.2254 -57.9371 -4.52452 1.76781 -140.948 222.787 -80.8785 264.124 -21.0404 PRESSAVG: 1853600 26.1332 -44.2003 -2.16874 -44.2003 -19.242 -26.2964 -2.1687 -26.2964 21.7804 GPRESSAVG: 1853600 25.7145 -45.7195 -1.93361 -40.8209 -18.2729 -27.3808 -1.86409 -27.0563 21.24 TIMING: 1853600 CPU: 5846.33, 0.00314546/step Wall: 5846.33, 0.00314546/step, 2.74913 hours remaining, 239.953125 MB of memory in use. ENERGY: 1853600 4028.9587 20433.7611 14489.4395 248.9886 -203468.2170 2890.3237 0.0000 0.0000 52097.4861 -109279.2593 299.4050 -161376.7454 -108910.1252 299.8548 -103.0493 -71.4047 761742.3908 9.5572 9.5605 PRESSURE: 1853800 -59.8537 55.4814 -69.2421 55.4813 172.27 5.26308 -69.2429 5.26344 -158.611 GPRESSURE: 1853800 -24.473 52.9869 -5.05052 33.0401 236.851 -22.7358 -113.08 101.478 -183.842 PRESSAVG: 1853800 13.9714 -34.7197 2.81071 -34.7197 6.11244 39.4863 2.81072 39.4864 -11.5695 GPRESSAVG: 1853800 14.022 -32.893 2.25006 -36.9734 5.41161 41.0924 3.46613 40.9204 -11.6182 TIMING: 1853800 CPU: 5846.95, 0.00312962/step Wall: 5846.95, 0.00312962/step, 2.73511 hours remaining, 239.953125 MB of memory in use. ENERGY: 1853800 3994.9435 20478.1073 14491.3264 236.6830 -203569.7712 2882.7387 0.0000 0.0000 52146.2645 -109339.7078 299.6853 -161485.9723 -108983.4726 299.5179 -15.3983 9.5118 762060.8970 2.8381 2.6051 PRESSURE: 1854000 -176.191 -90.7543 16.4799 -90.7545 -120.51 -143.141 16.4801 -143.142 260.883 GPRESSURE: 1854000 -130.27 -57.8919 -15.7429 -64.3049 -70.4956 -87.744 103.669 -203.508 252.892 PRESSAVG: 1854000 -5.7537 -16.2816 -31.3868 -16.2816 30.0489 1.32982 -31.3867 1.32986 -4.42309 GPRESSAVG: 1854000 -6.14298 -17.5354 -31.1338 -15.5515 30.9034 -0.200268 -31.0245 0.710352 -3.98249 TIMING: 1854000 CPU: 5847.58, 0.0031508/step Wall: 5847.58, 0.0031508/step, 2.75345 hours remaining, 239.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1854000 3989.0117 20324.3918 14480.0635 254.0867 -203101.9126 2558.2699 0.0000 0.0000 52147.2832 -109348.8058 299.6912 -161496.0890 -108992.9256 299.7736 -11.9394 17.3754 762360.5509 6.6240 6.9260 PRESSURE: 1854200 126.12 -69.7226 -14.9085 -69.7227 130.11 15.6848 -14.9089 15.6855 58.2036 GPRESSURE: 1854200 195.741 -129.922 31.7167 -21.8014 46.1751 91.4107 -112.975 84.983 152.363 PRESSAVG: 1854200 19.9943 1.89327 -30.6249 1.89321 20.2376 -23.3997 -30.6249 -23.3997 6.74107 GPRESSAVG: 1854200 21.1753 2.49175 -31.1129 2.44011 18.7342 -22.1085 -29.9805 -22.0367 7.3239 TIMING: 1854200 CPU: 5848.22, 0.00317995/step Wall: 5848.22, 0.00317995/step, 2.77875 hours remaining, 239.953125 MB of memory in use. ENERGY: 1854200 3985.8722 20389.8801 14451.5940 262.2721 -203399.7433 2679.6682 0.0000 0.0000 52160.5132 -109469.9435 299.7672 -161630.4567 -109115.3305 299.2784 104.8112 131.4264 761205.3843 15.6577 15.7445 PRESSURE: 1854400 28.1264 149.587 117.468 149.587 611.155 -101 117.468 -101.001 189.732 GPRESSURE: 1854400 122.796 138.496 280.296 0.127472 491.258 -91.16 49.0167 -113.042 308.101 PRESSAVG: 1854400 12.5609 -17.2914 -47.6271 -17.2915 43.0963 61.8903 -47.6271 61.8903 2.42233 GPRESSAVG: 1854400 13.011 -16.2716 -46.94 -19.5089 43.7234 61.4769 -48.0609 60.5845 2.14109 TIMING: 1854400 CPU: 5848.85, 0.00317144/step Wall: 5848.85, 0.00317144/step, 2.77113 hours remaining, 239.953125 MB of memory in use. ENERGY: 1854400 4024.2965 20319.8393 14449.8105 226.8431 -203261.8783 2648.6140 0.0000 0.0000 52140.8274 -109451.6476 299.6541 -161592.4749 -109088.7993 298.8866 276.3378 307.3848 759790.4460 19.3598 19.6252 PRESSURE: 1854600 165.673 71.2712 171.624 71.2704 -287.426 41.5601 171.624 41.5596 71.2691 GPRESSURE: 1854600 69.1821 61.6076 191.352 -30.9639 -135.826 -30.5021 137.093 50.022 85.108 PRESSAVG: 1854600 28.1818 16.191 -28.377 16.1909 -15.4542 -15.4484 -28.377 -15.4483 16.121 GPRESSAVG: 1854600 27.7208 17.2407 -28.6126 17.7688 -15.386 -15.5363 -30.0886 -15.4661 16.2502 TIMING: 1854600 CPU: 5849.49, 0.00317911/step Wall: 5849.49, 0.00317911/step, 2.77766 hours remaining, 239.953125 MB of memory in use. ENERGY: 1854600 3917.4372 20465.1397 14415.1583 249.9613 -203242.1355 2676.3693 0.0000 0.0000 52106.1466 -109411.9231 299.4547 -161518.0697 -109059.7775 299.2117 -16.8280 6.1547 762876.7567 9.6162 9.5284 PRESSURE: 1854800 -226.771 -6.85843 19.2476 -6.85861 -10.1478 -147.296 19.2462 -147.296 -28.9945 GPRESSURE: 1854800 -123.554 36.0197 -9.53718 -24.1484 -0.694877 -136.51 -82.4701 -250.412 -48.1151 PRESSAVG: 1854800 -8.92099 -26.1568 -23.9323 -26.1567 5.94152 10.4864 -23.9323 10.4864 -10.2305 GPRESSAVG: 1854800 -10.0396 -28.572 -23.4331 -25.8019 7.30588 10.6291 -21.8161 10.314 -9.99827 TIMING: 1854800 CPU: 5850.12, 0.0031703/step Wall: 5850.12, 0.0031703/step, 2.76979 hours remaining, 239.953125 MB of memory in use. ENERGY: 1854800 3946.2661 20300.6774 14447.4820 245.8216 -202674.1580 2106.3233 0.0000 0.0000 52169.2177 -109458.3700 299.8172 -161627.5876 -109093.7093 298.9502 -88.6378 -57.4546 761080.4946 -4.4033 -4.2440 PRESSURE: 1855000 195.377 33.225 70.6325 33.2248 95.0457 244.768 70.6329 244.767 94.1473 GPRESSURE: 1855000 230.842 -50.0863 63.4936 87.3268 154.239 231.348 1.20333 289.938 72.1066 PRESSAVG: 1855000 1.05402 -22.6678 -6.55369 -22.6679 -53.7535 47.7195 -6.5537 47.7194 3.53218 GPRESSAVG: 1855000 3.13573 -21.9767 -6.71403 -23.693 -54.3234 47.0835 -8.83751 49.155 2.16438 TIMING: 1855000 CPU: 5850.75, 0.00314953/step Wall: 5850.75, 0.00314953/step, 2.75147 hours remaining, 239.953125 MB of memory in use. ENERGY: 1855000 3971.6012 20487.7564 14464.5295 246.9104 -202901.1817 2228.9325 0.0000 0.0000 52159.0665 -109342.3852 299.7589 -161501.4517 -108989.6313 299.5565 128.1898 152.3958 761528.1850 -16.3891 -16.3411 PRESSURE: 1855200 -32.5226 50.616 -70.041 50.6145 10.7063 78.9437 -70.0414 78.9446 83.6858 GPRESSURE: 1855200 4.32427 113.843 -84.9894 118.157 49.8928 53.1502 17.6328 47.4122 110.215 PRESSAVG: 1855200 22.7547 -2.91376 -57.7848 -2.91375 18.3628 30.7834 -57.7848 30.7834 -25.3922 GPRESSAVG: 1855200 21.4288 -2.45371 -57.5538 -1.56213 18.1652 33.1881 -55.3739 27.1396 -24.0743 TIMING: 1855200 CPU: 5851.38, 0.00312875/step Wall: 5851.38, 0.00312875/step, 2.73314 hours remaining, 239.953125 MB of memory in use. ENERGY: 1855200 3951.3467 20565.6317 14483.3684 260.5881 -203226.7221 2530.1733 0.0000 0.0000 52036.7984 -109398.8154 299.0562 -161435.6138 -109039.3619 299.8589 20.6232 54.8108 762121.0431 5.2418 5.1732 PRESSURE: 1855400 -244.002 -46.7568 134.45 -46.7559 -150.495 -287.929 134.45 -287.929 -345.887 GPRESSURE: 1855400 -280.012 -92.3969 57.4293 24.7589 -131.141 -286.552 153.719 -164.195 -254.965 PRESSAVG: 1855400 -28.2388 -18.7995 -27.4667 -18.7995 32.3202 58.5509 -27.4667 58.5509 -2.20823 GPRESSAVG: 1855400 -28.167 -21.0193 -28.3174 -18.457 31.4046 57.6856 -27.8375 62.3617 -2.11755 TIMING: 1855400 CPU: 5852, 0.00313798/step Wall: 5852, 0.00313798/step, 2.74103 hours remaining, 239.953125 MB of memory in use. ENERGY: 1855400 4016.8554 20523.8256 14491.0314 236.7640 -202984.7780 2397.7783 0.0000 0.0000 52113.2532 -109205.2701 299.4956 -161318.5233 -108844.5660 299.8250 -246.7945 -222.0396 762692.5691 0.6244 0.3734 PRESSURE: 1855600 329.751 -81.7319 79.0311 -81.7317 -34.2003 65.108 79.0307 65.1087 64.7753 GPRESSURE: 1855600 320.265 -100.797 87.0041 -70.7164 117.746 79.6063 34.6499 -2.80166 11.7788 PRESSAVG: 1855600 -27.8943 -71.0404 0.182914 -71.0405 -8.38886 -15.414 0.182893 -15.414 -6.96993 GPRESSAVG: 1855600 -28.0959 -67.5851 1.31643 -73.7009 -7.38367 -15.4112 -1.4454 -16.3752 -7.97446 TIMING: 1855600 CPU: 5852.63, 0.00314361/step Wall: 5852.63, 0.0031436/step, 2.74576 hours remaining, 239.953125 MB of memory in use. ENERGY: 1855600 3997.1324 20410.9572 14485.7177 245.0104 -203402.8083 2799.2303 0.0000 0.0000 52315.0637 -109149.6965 300.6554 -161464.7602 -108786.9395 300.0613 120.1085 149.9302 761930.9345 -14.4177 -14.4847 PRESSURE: 1855800 -54.7608 15.8488 139.667 15.8488 -67.921 -36.2564 139.665 -36.256 -141.384 GPRESSURE: 1855800 -13.94 16.6911 26.1299 69.4324 1.66876 -73.829 241.996 50.254 -173.246 PRESSAVG: 1855800 -12.7556 -10.7769 15.7549 -10.777 5.29203 -12.5925 15.7549 -12.5925 8.91335 GPRESSAVG: 1855800 -14.1177 -13.0192 15.1174 -10.2111 6.25147 -12.7339 17.4015 -12.7959 9.20004 TIMING: 1855800 CPU: 5853.26, 0.00312421/step Wall: 5853.26, 0.00312421/step, 2.72865 hours remaining, 239.953125 MB of memory in use. ENERGY: 1855800 4023.2652 20436.9350 14555.1283 239.2769 -203026.0071 2501.0472 0.0000 0.0000 52036.0788 -109234.2758 299.0521 -161270.3546 -108867.5042 299.5330 -88.0219 -61.8392 762537.5564 0.4833 0.4446 PRESSURE: 1856000 96.6434 -17.3671 128.891 -17.3669 -216.448 -48.8737 128.891 -48.8732 -125.173 GPRESSURE: 1856000 109.213 -93.8175 38.5281 27.4713 -117.934 -99.2497 128.015 -42.1948 -143.911 PRESSAVG: 1856000 29.9409 -18.8928 -6.93842 -18.8928 -22.5318 -3.06441 -6.93845 -3.06451 2.6338 GPRESSAVG: 1856000 31.3485 -18.0721 -7.77608 -17.6132 -23.6708 -4.16159 -7.16415 -1.36967 1.93716 TIMING: 1856000 CPU: 5853.89, 0.00313646/step Wall: 5853.89, 0.00313645/step, 2.73917 hours remaining, 239.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1856000 3953.3937 20537.1781 14434.7678 255.4690 -202869.8051 2463.5009 0.0000 0.0000 52120.0361 -109105.4594 299.5346 -161225.4955 -108753.5638 300.0155 -81.6592 -50.8775 761322.2556 3.3476 3.2049 PRESSURE: 1856200 266.73 -55.2555 210.556 -55.2558 314.511 -5.1376 210.556 -5.13794 135.507 GPRESSURE: 1856200 370.995 -58.8712 224.052 -28.7218 319.762 57.7874 113.116 82.0045 107.293 PRESSAVG: 1856200 49.6279 -18.6028 28.8696 -18.6027 -29.8491 12.1843 28.8695 12.1844 36.0089 GPRESSAVG: 1856200 49.7194 -18.9309 29.7596 -19.8612 -29.5234 13.4987 28.2106 10.3357 35.7591 TIMING: 1856200 CPU: 5854.52, 0.00315234/step Wall: 5854.52, 0.00315234/step, 2.75287 hours remaining, 239.953125 MB of memory in use. ENERGY: 1856200 4044.1922 20521.5300 14447.9948 264.9150 -203425.0192 2880.0106 0.0000 0.0000 52142.1030 -109124.2737 299.6614 -161266.3767 -108762.3162 299.4604 238.9161 266.0165 761642.6248 18.5959 18.6517 LDB: ============= START OF LOAD BALANCING ============== 5866.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5866.91 LDB: =============== DONE WITH MIGRATION ================ 5866.92 LDB: ============= START OF LOAD BALANCING ============== 5867.23 LDB: Largest compute 7034 load 0.033215 is 16.9% of average load 0.196128 LDB: Average compute 0.004406 is 2.2% of average load 0.196128 LDB: TIME 5867.24 LOAD: AVG 0.196128 MAX 0.220714 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.406 MB LDB: TIME 5867.24 LOAD: AVG 0.196128 MAX 0.220714 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.406 MB LDB: TIME 5867.24 LOAD: AVG 0.196128 MAX 0.217124 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.406 MB LDB: ============== END OF LOAD BALANCING =============== 5867.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5867.25 PRESSURE: 1856400 -207.38 -288.307 -60.1896 -288.306 -210.604 144.162 -60.1882 144.163 -234.576 GPRESSURE: 1856400 -151.71 -180.664 -13.1091 -240.385 -125.221 100.322 24.7152 127.664 -288.598 PRESSAVG: 1856400 40.7861 -47.625 -36.0571 -47.6249 17.7621 17.4091 -36.0571 17.4092 -15.0091 GPRESSAVG: 1856400 40.1306 -45.5798 -35.9336 -48.0915 17.8401 18.4263 -36.133 17.5842 -14.3267 TIMING: 1856400 CPU: 5855.16, 0.00323496/step Wall: 5855.16, 0.00323496/step, 2.82484 hours remaining, 238.667969 MB of memory in use. ENERGY: 1856400 4034.9276 20453.9278 14521.3044 228.1820 -203049.2911 2440.3898 0.0000 0.0000 52063.0465 -109307.5129 299.2070 -161370.5594 -108949.0123 299.8397 -217.5201 -188.5098 762578.0147 14.5130 14.5480 PRESSURE: 1856600 -162.196 -127.387 125.764 -127.387 -254.157 -132.791 125.764 -132.79 -462.728 GPRESSURE: 1856600 -117.823 30.0516 177.398 -195.972 -261.668 -120.102 -25.487 -54.4797 -404.042 PRESSAVG: 1856600 -8.57158 9.67865 -0.557414 9.67866 -15.1629 3.21438 -0.557444 3.2144 -31.0756 GPRESSAVG: 1856600 -8.86537 9.20651 -0.305671 12.2939 -15.8109 0.674197 0.436166 4.34384 -30.1768 TIMING: 1856600 CPU: 5855.79, 0.00315656/step Wall: 5855.79, 0.00315656/step, 2.7562 hours remaining, 238.667969 MB of memory in use. ENERGY: 1856600 3981.8057 20561.0563 14490.2918 258.5631 -203004.3051 2447.0026 0.0000 0.0000 51947.0014 -109318.5843 298.5401 -161265.5857 -108956.7347 299.1719 -293.0269 -261.1775 763125.9099 -18.2700 -18.2844 PRESSURE: 1856800 16.1503 -83.3542 -32.6676 -83.3529 4.25606 121.021 -32.6681 121.021 150.22 GPRESSURE: 1856800 150.152 -145.278 -10.2978 -100.965 -54.9279 83.5391 -73.1593 111.04 177.97 PRESSAVG: 1856800 -30.7334 18.2566 7.78053 18.2566 30.9836 9.5352 7.78059 9.53518 -21.8788 GPRESSAVG: 1856800 -29.5473 17.598 7.0588 16.4015 28.9107 11.339 6.61193 9.83547 -20.8348 TIMING: 1856800 CPU: 5856.43, 0.00315503/step Wall: 5856.43, 0.00315503/step, 2.75469 hours remaining, 238.667969 MB of memory in use. ENERGY: 1856800 3909.2791 20552.3911 14392.3565 266.1161 -203103.7617 2554.0092 0.0000 0.0000 51904.2594 -109525.3503 298.2945 -161429.6097 -109170.7380 299.4201 56.8755 91.0647 761981.3176 -7.2095 -7.1571 PRESSURE: 1857000 -42.3088 63.1495 24.6764 63.1502 63.8791 207.806 24.6773 207.807 -109.417 GPRESSURE: 1857000 6.08001 37.5763 -0.0673374 73.8419 63.3888 145.973 -19.0302 75.7863 -71.4158 PRESSAVG: 1857000 29.3701 -5.88353 -11.8253 -5.88347 -1.45053 -7.40043 -11.8254 -7.40043 -9.27006 GPRESSAVG: 1857000 27.9596 -8.50428 -10.6462 -4.99006 0.425836 -9.71752 -11.2284 -11.5873 -9.64812 TIMING: 1857000 CPU: 5857.06, 0.00315402/step Wall: 5857.06, 0.00315402/step, 2.75364 hours remaining, 238.667969 MB of memory in use. ENERGY: 1857000 3896.8511 20447.3643 14479.8506 244.5282 -203299.6977 2887.8214 0.0000 0.0000 51843.5797 -109499.7024 297.9458 -161343.2821 -109130.0457 298.7825 -29.2821 -0.6490 764432.9947 6.2165 6.2458 PRESSURE: 1857200 -124.504 8.12612 -40.7925 8.12568 21.5748 -101.858 -40.792 -101.858 -350.347 GPRESSURE: 1857200 -46.6809 39.3617 -60.4157 91.1886 10.7792 -115.403 -137.942 147.033 -337.368 PRESSAVG: 1857200 20.6668 10.226 -29.6135 10.2261 -49.848 9.51825 -29.6136 9.51826 9.4222 GPRESSAVG: 1857200 21.3302 11.9051 -30.4133 9.25399 -48.4941 12.3217 -32.1213 11.5461 7.70492 TIMING: 1857200 CPU: 5857.69, 0.00314494/step Wall: 5857.69, 0.00314494/step, 2.74554 hours remaining, 238.667969 MB of memory in use. ENERGY: 1857200 3994.6806 20571.9915 14485.3013 232.9380 -203485.9885 2653.5043 0.0000 0.0000 52115.1577 -109432.4152 299.5065 -161547.5729 -109065.4654 298.8627 -151.0923 -124.4232 763910.4066 -6.5863 -6.4863 PRESSURE: 1857400 240.149 20.5185 -39.0747 20.5186 16.3984 289.663 -39.0744 289.663 345.718 GPRESSURE: 1857400 156.474 -14.4211 -34.8778 -84.6872 167.014 216.74 -72.7523 183.355 339.307 PRESSAVG: 1857400 -6.25228 4.33087 -21.8034 4.33081 -9.45106 50.3021 -21.8035 50.3022 -33.584 GPRESSAVG: 1857400 -6.20329 5.73244 -21.372 5.0344 -11.3072 51.8785 -20.1911 48.1394 -32.6868 TIMING: 1857400 CPU: 5858.32, 0.00314944/step Wall: 5858.32, 0.00314943/step, 2.74928 hours remaining, 238.667969 MB of memory in use. ENERGY: 1857400 3928.4131 20569.7212 14486.9979 236.1374 -203631.2092 2977.1470 0.0000 0.0000 51960.9655 -109471.8272 298.6204 -161432.7926 -109108.6067 298.8780 200.7552 220.9313 761826.8302 -16.4291 -16.7324 PRESSURE: 1857600 5.90011 -177.558 190.918 -177.557 268.889 76.1346 190.918 76.1342 -112.978 GPRESSURE: 1857600 27.8988 -104.615 159.542 -214.124 262.041 95.4681 225.816 45.7868 -39.4443 PRESSAVG: 1857600 42.7216 -12.8501 17.8962 -12.8501 -11.4289 16.3935 17.8963 16.3935 -7.85034 GPRESSAVG: 1857600 41.6082 -13.5637 18.3321 -12.9316 -9.39208 14.6682 17.9659 18.7718 -7.80412 TIMING: 1857600 CPU: 5858.95, 0.00316595/step Wall: 5858.95, 0.00316595/step, 2.76352 hours remaining, 238.667969 MB of memory in use. ENERGY: 1857600 4063.2668 20545.2399 14431.5403 228.9455 -203343.5073 2462.4775 0.0000 0.0000 51813.8670 -109798.1703 297.7750 -161612.0373 -109438.5278 298.7197 53.9369 83.4986 760140.3166 7.8141 8.1373 PRESSURE: 1857800 28.7987 -48.7613 107.441 -48.7609 -137.345 -6.23625 107.441 -6.23594 -493.824 GPRESSURE: 1857800 75.2061 -77.3445 27.1563 -200.699 -153.065 37.578 -7.75714 -82.6264 -429.649 PRESSAVG: 1857800 21.1724 -22.5671 63.9312 -22.5672 -6.02049 25.7192 63.9312 25.7192 -5.3254 GPRESSAVG: 1857800 23.0016 -22.5588 64.4465 -23.1645 -7.54533 25.1406 64.2148 25.809 -5.31001 TIMING: 1857800 CPU: 5859.58, 0.00316617/step Wall: 5859.58, 0.00316617/step, 2.76354 hours remaining, 238.667969 MB of memory in use. ENERGY: 1857800 3982.5208 20443.2525 14485.6416 227.6330 -203054.1965 2342.4351 0.0000 0.0000 51740.9498 -109831.7637 297.3559 -161572.7135 -109471.5059 298.2711 -200.7898 -169.1691 763265.4784 3.2755 3.3821 PRESSURE: 1858000 -380.303 -12.3203 -12.4052 -12.3211 134.633 44.0174 -12.4056 44.0176 -430.277 GPRESSURE: 1858000 -306.607 -111.206 44.5696 16.5968 119.33 -27.1628 -108.186 48.3239 -395.08 PRESSAVG: 1858000 44.0147 3.74522 24.6413 3.74523 -3.16029 -5.26735 24.6413 -5.26739 7.37783 GPRESSAVG: 1858000 42.3418 3.02318 24.5844 5.05542 -2.5929 -4.11298 26.3326 -5.74495 7.93146 TIMING: 1858000 CPU: 5860.21, 0.00314342/step Wall: 5860.21, 0.00314342/step, 2.7435 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1858000 3916.1633 20507.2031 14409.3045 241.5992 -203568.7870 2488.3939 0.0000 0.0000 52130.2933 -109875.8298 299.5935 -162006.1231 -109510.1076 298.3217 -225.3156 -194.1190 762675.5836 16.0774 15.8934 PRESSURE: 1858200 279.857 -35.8465 326.825 -35.8465 -25.7674 -22.9459 326.824 -22.9459 -56.4529 GPRESSURE: 1858200 273.351 -46.8319 338.503 -207.794 85.0387 -28.7524 257.223 19.739 -92.473 PRESSAVG: 1858200 -21.7342 6.86768 -0.216895 6.86764 2.19901 28.8712 -0.21686 28.8712 13.5977 GPRESSAVG: 1858200 -21.3852 7.03556 -0.458833 5.32911 2.10526 28.236 -1.68692 28.5223 12.8869 TIMING: 1858200 CPU: 5860.84, 0.00313374/step Wall: 5860.84, 0.00313374/step, 2.73488 hours remaining, 238.667969 MB of memory in use. ENERGY: 1858200 3896.4855 20479.6561 14445.6255 251.7335 -203401.9552 2745.7026 0.0000 0.0000 51883.9296 -109698.8226 298.1777 -161582.7521 -109339.9644 298.2227 65.8789 88.6388 762764.2319 -1.9792 -2.1310 PRESSURE: 1858400 -176.862 63.4334 -91.4188 63.434 181.165 200.512 -91.4188 200.512 329.545 GPRESSURE: 1858400 -118.936 82.4096 -90.8901 27.7914 187.175 274.144 -180.457 171.411 354.46 PRESSAVG: 1858400 2.46029 -4.03468 2.75202 -4.0346 0.573149 41.3609 2.75205 41.361 14.679 GPRESSAVG: 1858400 3.48075 -2.09426 2.35792 -4.72113 0.087668 41.6167 3.29602 41.9376 14.183 TIMING: 1858400 CPU: 5861.47, 0.00314035/step Wall: 5861.47, 0.00314036/step, 2.74048 hours remaining, 238.667969 MB of memory in use. ENERGY: 1858400 3937.3675 20490.6752 14489.9754 241.8204 -203494.5155 2747.4313 0.0000 0.0000 51830.5448 -109756.7009 297.8709 -161587.2457 -109393.7597 298.6193 111.2826 140.8998 759826.5793 5.9041 5.9171 PRESSURE: 1858600 -12.6017 14.6722 -2.71995 14.6714 -200.675 3.0204 -2.72058 3.02061 96.4647 GPRESSURE: 1858600 94.9521 100.044 -66.3368 34.8346 -218.105 -16.1044 151.578 -105.013 86.4487 PRESSAVG: 1858600 -31.3472 58.0637 -41.1565 58.0636 -5.23641 4.84247 -41.1564 4.84252 -4.31642 GPRESSAVG: 1858600 -32.4865 56.8248 -41.2888 59.8853 -4.94485 3.69839 -39.9452 4.04665 -3.21825 TIMING: 1858600 CPU: 5862.09, 0.00313995/step Wall: 5862.09, 0.00313995/step, 2.73996 hours remaining, 238.667969 MB of memory in use. ENERGY: 1858600 3922.2713 20471.9335 14368.7087 273.9628 -202935.4522 2248.7885 0.0000 0.0000 51985.5453 -109664.2421 298.7616 -161649.7874 -109307.2334 298.5203 -38.9374 -12.2349 762122.0957 -13.6333 -13.5499 PRESSURE: 1858800 246.344 37.842 22.7536 37.8411 -332.983 32.0878 22.7537 32.0884 187.413 GPRESSURE: 1858800 168.298 132.292 -41.2851 -15.6616 -269.568 -1.14161 8.38346 0.657741 288.418 PRESSAVG: 1858800 2.46375 13.109 15.7264 13.109 15.0115 -28.1235 15.7264 -28.1235 4.05938 GPRESSAVG: 1858800 2.09012 13.5055 14.9189 13.7249 15.7091 -27.5506 15.6924 -27.4187 4.10493 TIMING: 1858800 CPU: 5862.72, 0.00314542/step Wall: 5862.72, 0.00314542/step, 2.74456 hours remaining, 238.667969 MB of memory in use. ENERGY: 1858800 3982.9271 20640.5369 14488.6439 224.3959 -203386.6977 2480.3467 0.0000 0.0000 51980.2532 -109589.5939 298.7312 -161569.8471 -109225.4522 299.0356 33.5915 62.3829 760218.5908 7.1782 7.3014 PRESSURE: 1859000 -163.685 -56.3881 -32.7115 -56.3879 -265.254 12.9574 -32.7117 12.9563 -231.002 GPRESSURE: 1859000 -120.718 40.3652 -10.0432 25.9743 -234.001 -64.403 -160.827 208.259 -240.536 PRESSAVG: 1859000 28.1113 20.0794 -25.6129 20.0793 -11.8538 3.95142 -25.6129 3.95152 1.05276 GPRESSAVG: 1859000 28.5444 18.6892 -24.5873 20.7198 -12.1541 5.5652 -25.3636 2.17807 1.34524 TIMING: 1859000 CPU: 5863.36, 0.00317392/step Wall: 5863.36, 0.00317392/step, 2.76924 hours remaining, 238.667969 MB of memory in use. ENERGY: 1859000 3922.1384 20625.7086 14499.0050 261.1895 -203322.9758 2468.5732 0.0000 0.0000 52006.0336 -109540.3275 298.8794 -161546.3611 -109189.4130 298.6119 -219.9804 -198.4184 760739.4868 5.7701 5.9118 PRESSURE: 1859200 47.8323 29.7307 -0.581074 29.7302 -253.68 100.012 -0.582014 100.012 121.669 GPRESSURE: 1859200 93.6401 109.59 -76.931 -49.8884 -210.277 198.368 48.4058 -34.5791 110.352 PRESSAVG: 1859200 -8.62113 -66.8483 23.8877 -66.8482 7.19607 31.5829 23.8877 31.5829 8.26139 GPRESSAVG: 1859200 -8.54383 -65.516 24.3583 -71.0871 7.53366 30.0096 22.9485 33.2939 8.17749 TIMING: 1859200 CPU: 5863.99, 0.00316648/step Wall: 5863.99, 0.00316648/step, 2.76257 hours remaining, 238.667969 MB of memory in use. ENERGY: 1859200 3878.7998 20464.4636 14511.2138 246.6543 -203211.1369 2500.7839 0.0000 0.0000 52027.0166 -109582.2048 299.0000 -161609.2214 -109209.4974 298.8805 -28.0595 -2.0950 761220.8797 2.2788 2.3891 PRESSURE: 1859400 199.275 -66.7525 46.255 -66.7528 -59.5046 192.411 46.2552 192.41 401.266 GPRESSURE: 1859400 187.491 -90.202 49.1188 -98.027 42.5171 174.229 80.6447 156.638 397.747 PRESSAVG: 1859400 84.7501 -13.1614 7.93042 -13.1615 -60.7163 24.0209 7.93042 24.0209 -6.33738 GPRESSAVG: 1859400 86.2977 -15.2682 7.39005 -11.1836 -61.3606 23.3452 7.67445 23.871 -7.12694 TIMING: 1859400 CPU: 5864.63, 0.00318802/step Wall: 5864.63, 0.00318802/step, 2.78119 hours remaining, 238.667969 MB of memory in use. ENERGY: 1859400 3987.0273 20551.1284 14506.4981 247.1098 -203773.3243 2894.3043 0.0000 0.0000 51847.1871 -109740.0695 297.9665 -161587.2565 -109376.4771 298.9244 180.3453 209.2515 760595.8812 5.8988 5.9367 PRESSURE: 1859600 123.185 -107.948 127.321 -107.948 104.283 -81.4565 127.321 -81.4575 -31.9053 GPRESSURE: 1859600 107.978 -143.732 67.5742 -25.3672 213.154 -84.2202 134.2 11.9074 -25.3513 PRESSAVG: 1859600 -30.6396 -12.5123 50.5594 -12.5122 -40.7108 48.2908 50.5594 48.2909 -14.667 GPRESSAVG: 1859600 -32.7838 -10.0149 51.5917 -14.5504 -38.7338 49.5682 50.9424 49.7442 -14.4555 TIMING: 1859600 CPU: 5865.26, 0.00317772/step Wall: 5865.26, 0.00317771/step, 2.77203 hours remaining, 238.667969 MB of memory in use. ENERGY: 1859600 3947.8142 20300.2212 14483.6232 252.4091 -203609.1369 2930.8446 0.0000 0.0000 52006.1283 -109688.0961 298.8799 -161694.2245 -109326.5994 298.3638 65.1876 98.5934 761771.8689 -28.6724 -28.6577 PRESSURE: 1859800 -229.295 47.6631 -75.8493 47.6632 -254.313 -166.771 -75.8487 -166.769 77.3634 GPRESSURE: 1859800 -151.362 49.2015 -69.9177 139.84 -180.661 -197.528 -82.5997 -93.1652 10.1786 PRESSAVG: 1859800 66.7144 -6.50604 -35.3354 -6.50602 -9.97408 57.1128 -35.3355 57.1128 28.0987 GPRESSAVG: 1859800 67.9285 -8.61795 -35.6316 -3.65862 -10.9055 55.5796 -34.3842 57.5251 27.2975 TIMING: 1859800 CPU: 5865.9, 0.00316308/step Wall: 5865.9, 0.00316308/step, 2.75909 hours remaining, 238.667969 MB of memory in use. ENERGY: 1859800 3962.6734 20421.9746 14477.5918 238.0451 -203606.7592 2668.3184 0.0000 0.0000 52120.9963 -109717.1596 299.5401 -161838.1559 -109343.9193 299.0330 -135.4150 -107.2815 763450.8891 28.2797 28.1069 PRESSURE: 1860000 -212.841 -52.0748 -300.568 -52.0746 165.05 179.238 -300.569 179.239 -371.248 GPRESSURE: 1860000 -186.437 -72.0713 -286.677 30.1269 240.387 143.749 -170.076 158.17 -388.968 PRESSAVG: 1860000 -20.6046 -43.6351 -31.1899 -43.6351 24.7189 15.331 -31.1899 15.331 14.3981 GPRESSAVG: 1860000 -21.8869 -43.0206 -29.313 -42.7116 24.0556 15.7844 -31.8031 15.4919 16.2733 TIMING: 1860000 CPU: 5866.53, 0.00315911/step Wall: 5866.53, 0.00315911/step, 2.75544 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1860000 3995.0165 20494.4018 14464.4018 248.4878 -203624.6145 2682.9967 0.0000 0.0000 52019.8317 -109719.4781 298.9587 -161739.3098 -109360.1758 298.8615 -139.6796 -111.6726 762756.7147 6.1708 6.1474 PRESSURE: 1860200 -45.6247 6.19717 -260.287 6.19679 117.699 -196.098 -260.288 -196.098 104.718 GPRESSURE: 1860200 2.96264 57.5126 -267.184 29.4113 127.66 -174.309 -230.376 -282.097 128.862 PRESSAVG: 1860200 -13.386 -4.23735 -27.5616 -4.23731 52.7504 -26.5962 -27.5617 -26.5962 9.21865 GPRESSAVG: 1860200 -12.956 -4.03149 -28.1521 -5.88004 52.8887 -25.9696 -27.8142 -29.6894 8.04841 TIMING: 1860200 CPU: 5867.16, 0.00315181/step Wall: 5867.16, 0.00315181/step, 2.7489 hours remaining, 238.667969 MB of memory in use. ENERGY: 1860200 4016.1512 20445.9054 14452.4935 251.3944 -203780.7670 2808.4711 0.0000 0.0000 51974.3989 -109831.9525 298.6976 -161806.3514 -109470.9525 298.8347 58.9306 86.4947 762568.8789 16.1943 15.9937 LDB: ============= START OF LOAD BALANCING ============== 5879.56 LDB: ============== END OF LOAD BALANCING =============== 5879.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5879.56 LDB: ============= START OF LOAD BALANCING ============== 5879.88 LDB: Largest compute 7033 load 0.034242 is 17.5% of average load 0.195898 LDB: Average compute 0.004412 is 2.3% of average load 0.195898 LDB: TIME 5879.88 LOAD: AVG 0.195898 MAX 0.216954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.184 MB LDB: TIME 5879.88 LOAD: AVG 0.195898 MAX 0.216954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.184 MB LDB: TIME 5879.88 LOAD: AVG 0.195898 MAX 0.216954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.184 MB LDB: ============== END OF LOAD BALANCING =============== 5879.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5879.89 PRESSURE: 1860400 -34.368 25.8164 -121.106 25.8151 302.585 30.6477 -121.106 30.6478 -249.201 GPRESSURE: 1860400 -35.8624 67.9775 -16.7674 125.818 334.338 -53.1318 -0.462606 53.9576 -199.864 PRESSAVG: 1860400 39.8949 49.4574 -20.8679 49.4574 -6.99589 -65.4799 -20.8678 -65.48 6.44035 GPRESSAVG: 1860400 40.4582 49.1329 -22.3014 51.0936 -8.27738 -66.2104 -21.0538 -65.7415 7.15148 TIMING: 1860400 CPU: 5867.81, 0.00325144/step Wall: 5867.81, 0.00325145/step, 2.83562 hours remaining, 238.609375 MB of memory in use. ENERGY: 1860400 4052.4789 20301.7426 14529.1828 256.5361 -203669.0602 2900.5320 0.0000 0.0000 51729.4095 -109899.1783 297.2896 -161628.5878 -109539.2201 298.5455 6.3387 32.8703 763222.3222 13.1131 13.1108 PRESSURE: 1860600 -703.738 114.242 -222.771 114.243 193.1 -39.9122 -222.772 -39.9115 -261.678 GPRESSURE: 1860600 -644.804 93.1871 -268.488 -78.1023 186.062 -12.4859 -142.196 -6.17146 -237.651 PRESSAVG: 1860600 20.9108 17.3249 14.6123 17.3249 -18.7429 -5.01859 14.6123 -5.01862 -18.5461 GPRESSAVG: 1860600 20.02 15.6209 14.4237 17.4118 -17.6541 -4.04356 15.1228 -2.82455 -18.2902 TIMING: 1860600 CPU: 5868.45, 0.00319334/step Wall: 5868.45, 0.00319334/step, 2.78477 hours remaining, 238.609375 MB of memory in use. ENERGY: 1860600 3944.4481 20479.8052 14442.2470 240.1596 -203813.0838 2740.7279 0.0000 0.0000 51840.7276 -110124.9683 297.9294 -161965.6960 -109766.2705 297.8806 -257.4389 -232.1313 761275.9455 -5.4594 -5.3081 PRESSURE: 1860800 -87.7111 -260.88 -209.32 -260.881 -342.567 49.294 -209.321 49.2951 -97.2975 GPRESSURE: 1860800 30.7608 -281.1 -244.453 -259.857 -267.793 97.7671 -194.171 -9.8857 -189.173 PRESSAVG: 1860800 -25.6094 3.32112 -66.0757 3.3211 11.4035 -81.6433 -66.0758 -81.6433 -4.46303 GPRESSAVG: 1860800 -24.5945 4.89885 -65.2663 1.54838 11.47 -80.9356 -66.8819 -82.4481 -5.15403 TIMING: 1860800 CPU: 5869.08, 0.00318683/step Wall: 5869.08, 0.00318683/step, 2.77892 hours remaining, 238.609375 MB of memory in use. ENERGY: 1860800 3978.6996 20291.7012 14530.3749 265.6148 -203783.7901 2872.9150 0.0000 0.0000 51879.5072 -109964.9772 298.1522 -161844.4844 -109612.6720 297.8444 -175.8584 -142.0686 762330.8296 -6.2230 -6.0928 PRESSURE: 1861000 93.1895 194.187 15.072 194.186 150.797 57.1206 15.0721 57.1215 246.202 GPRESSURE: 1861000 81.3163 104.734 43.0106 116.478 294.926 30.9533 1.93156 -20.1561 184.172 PRESSAVG: 1861000 50.2484 -6.14354 -8.43265 -6.1436 -8.31984 -10.5449 -8.43261 -10.5448 5.19003 GPRESSAVG: 1861000 49.6006 -5.77883 -8.08791 -6.07211 -8.10881 -11.9955 -6.75281 -11.2618 5.63445 TIMING: 1861000 CPU: 5869.72, 0.00318814/step Wall: 5869.72, 0.00318814/step, 2.77988 hours remaining, 238.609375 MB of memory in use. ENERGY: 1861000 3954.9641 20488.8629 14469.2671 253.2532 -203724.2975 2912.5413 0.0000 0.0000 51719.4421 -109925.9666 297.2323 -161645.4087 -109570.0971 298.1118 163.3961 186.8047 761947.2100 15.7062 15.7087 PRESSURE: 1861200 63.7041 -11.1877 -157.754 -11.1878 111.903 -220.511 -157.755 -220.51 60.8012 GPRESSURE: 1861200 199.16 -5.69669 -169.285 57.8929 109.115 -269.198 -168.117 -23.9607 18.5269 PRESSAVG: 1861200 5.41465 -37.9665 -10.1486 -37.9666 -23.2947 -75.0501 -10.1486 -75.05 8.08218 GPRESSAVG: 1861200 5.79586 -38.6899 -11.3099 -37.0301 -23.7674 -74.832 -11.0853 -75.2243 7.88938 TIMING: 1861200 CPU: 5870.36, 0.00318234/step Wall: 5870.36, 0.00318234/step, 2.77464 hours remaining, 238.609375 MB of memory in use. ENERGY: 1861200 3937.9354 20444.6195 14559.1764 241.4610 -203323.2125 2397.6277 0.0000 0.0000 51814.7871 -109927.6053 297.7803 -161742.3924 -109570.3627 298.0760 78.8028 108.9338 761634.1362 -3.2660 -3.3607 PRESSURE: 1861400 -339.792 -71.6326 -71.5241 -71.6329 -202.53 27.4901 -71.5244 27.491 -11.9407 GPRESSURE: 1861400 -287.874 46.6955 -191.342 37.6199 -196.67 42.8221 -13.5834 53.334 4.90488 PRESSAVG: 1861400 26.8005 18.2438 -42.573 18.2438 -14.6988 -37.0423 -42.5731 -37.0423 -16.9745 GPRESSAVG: 1861400 28.0159 19.6137 -41.3428 17.8142 -16.0468 -37.6804 -43.6221 -34.6838 -17.0921 TIMING: 1861400 CPU: 5871.01, 0.00323871/step Wall: 5871.01, 0.00323871/step, 2.82361 hours remaining, 238.609375 MB of memory in use. ENERGY: 1861400 4034.6111 20439.9413 14494.6836 281.6493 -203259.7744 2281.1220 0.0000 0.0000 51715.7928 -110011.9744 297.2114 -161727.7672 -109645.4555 298.1290 -184.7542 -159.8799 762441.2553 -1.6243 -1.7077 PRESSURE: 1861600 -152.339 14.5694 -24.7985 14.5697 -515.752 -61.6197 -24.799 -61.6191 66.2308 GPRESSURE: 1861600 -169.733 -24.2878 -114.148 -99.8129 -384.838 -108.529 10.3246 41.6669 37.2764 PRESSAVG: 1861600 -9.31026 -28.1309 -51.7285 -28.1309 -48.1434 10.8138 -51.7284 10.8137 9.59483 GPRESSAVG: 1861600 -11.3714 -29.1236 -52.2963 -29.2303 -46.1303 11.975 -49.6528 9.71898 9.46982 TIMING: 1861600 CPU: 5871.65, 0.00320599/step Wall: 5871.65, 0.00320599/step, 2.79491 hours remaining, 238.609375 MB of memory in use. ENERGY: 1861600 3958.8735 20432.5351 14461.8663 239.3237 -203484.0147 2491.0715 0.0000 0.0000 51722.7840 -110177.5605 297.2516 -161900.3446 -109811.5816 297.8837 -200.6201 -172.4316 761094.3639 -15.9530 -16.0106 PRESSURE: 1861800 -36.1879 -41.324 120.338 -41.3246 107.283 -202.064 120.337 -202.064 58.5446 GPRESSURE: 1861800 82.0261 -62.8745 161.831 47.6753 52.0359 -238.186 106.914 -235.105 89.2997 PRESSAVG: 1861800 22.8402 13.5172 -60.9081 13.5172 -38.7256 -47.9957 -60.9081 -47.9957 -5.77838 GPRESSAVG: 1861800 23.5173 14.5607 -60.5891 15.5039 -39.2165 -47.1439 -61.9581 -49.2606 -5.43498 TIMING: 1861800 CPU: 5872.29, 0.00321707/step Wall: 5872.29, 0.00321707/step, 2.80439 hours remaining, 238.609375 MB of memory in use. ENERGY: 1861800 4041.5294 20426.2485 14442.8910 233.2206 -203571.4996 2655.2221 0.0000 0.0000 51830.4358 -109941.9522 297.8702 -161772.3880 -109579.4333 297.6822 43.2131 74.4539 760115.9163 -7.2213 -7.0447 PRESSURE: 1862000 134.378 -31.1715 -290.603 -31.1705 -35.4095 84.3613 -290.604 84.3617 -41.2057 GPRESSURE: 1862000 99.0746 17.2382 -289.004 90.4045 99.512 123.827 -202.956 159.194 -48.099 PRESSAVG: 1862000 12.9057 29.3135 24.7651 29.3134 1.22151 -13.689 24.7651 -13.689 24.8588 GPRESSAVG: 1862000 12.7142 29.2089 24.8855 29.0019 1.82793 -15.4936 26.2258 -13.9862 24.4183 TIMING: 1862000 CPU: 5872.93, 0.00318566/step Wall: 5872.93, 0.00318566/step, 2.77684 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1862000 4067.1537 20411.8000 14500.3151 243.4998 -203834.1645 2864.3570 0.0000 0.0000 52027.2942 -109719.7446 299.0016 -161747.0388 -109375.1376 297.7067 19.2541 50.1626 760862.0309 12.9953 12.9868 PRESSURE: 1862200 182.74 -188.684 80.3932 -188.684 63.6784 9.36975 80.3934 9.36994 -37.7122 GPRESSURE: 1862200 95.0859 -220.062 72.6608 -247.133 202.575 36.849 129.791 49.943 -16.8203 PRESSAVG: 1862200 -0.0165362 -41.8882 25.5233 -41.8882 -14.5949 37.5062 25.5233 37.5061 12.623 GPRESSAVG: 1862200 0.303428 -41.2224 25.8363 -42.9927 -14.3286 38.608 24.1453 40.072 12.1986 TIMING: 1862200 CPU: 5873.56, 0.00315528/step Wall: 5873.56, 0.00315528/step, 2.75017 hours remaining, 238.609375 MB of memory in use. ENERGY: 1862200 4019.2828 20476.9693 14434.9282 222.7469 -203294.7005 2602.6941 0.0000 0.0000 51973.4270 -109564.6523 298.6920 -161538.0793 -109203.6646 298.9926 69.5687 93.6134 761286.8954 -0.6628 -0.6088 PRESSURE: 1862400 656.405 110.864 237.099 110.865 -59.5447 130.494 237.1 130.494 236.23 GPRESSURE: 1862400 632.121 49.2828 184.667 75.0228 25.6631 88.4428 179.762 59.1421 255.328 PRESSAVG: 1862400 29.971 -13.7476 -24.3764 -13.7476 -39.106 33.7095 -24.3765 33.7095 23.6734 GPRESSAVG: 1862400 29.9337 -15.5829 -26.2103 -13.1904 -39.4929 33.7769 -23.6289 31.8401 23.812 TIMING: 1862400 CPU: 5874.19, 0.00316126/step Wall: 5874.19, 0.00316126/step, 2.75522 hours remaining, 238.609375 MB of memory in use. ENERGY: 1862400 3888.7685 20513.4150 14446.3542 238.2931 -203952.4674 3016.5214 0.0000 0.0000 52429.6429 -109419.4724 301.3139 -161849.1153 -109059.2776 299.3987 277.6966 304.3707 761375.4166 4.8461 4.7509 PRESSURE: 1862600 -189.26 -165.402 -34.2228 -165.402 -94.1812 20.5693 -34.2225 20.5695 -297.712 GPRESSURE: 1862600 -128.385 -168.143 -10.7085 -106.508 -162.725 -16.6046 -61.3429 -31.3349 -189.182 PRESSAVG: 1862600 6.25804 5.80565 -38.2732 5.8057 -2.30685 15.4636 -38.2731 15.4636 -0.892388 GPRESSAVG: 1862600 6.31532 7.85269 -36.3159 6.40633 -2.31989 14.4571 -39.7535 17.0831 -0.971358 TIMING: 1862600 CPU: 5874.83, 0.00320708/step Wall: 5874.83, 0.00320708/step, 2.79497 hours remaining, 238.609375 MB of memory in use. ENERGY: 1862600 4059.9344 20492.2311 14487.3004 254.6992 -203645.5059 2877.6128 0.0000 0.0000 52002.7610 -109470.9670 298.8606 -161473.7280 -109112.3777 299.8745 -193.7178 -160.0976 762993.4963 1.0196 1.0080 PRESSURE: 1862800 55.6454 31.5664 201.195 31.566 -8.57138 75.5293 201.195 75.5289 333.701 GPRESSURE: 1862800 42.0725 145.661 277.962 -114.779 72.6121 48.3103 83.9385 117.327 365.555 PRESSAVG: 1862800 -22.1623 -35.4654 -20.2743 -35.4654 -0.631581 -4.0319 -20.2743 -4.03183 18.6351 GPRESSAVG: 1862800 -21.3225 -37.7677 -22.1234 -37.3506 -1.01826 -1.56082 -17.1394 -6.03256 18.0297 TIMING: 1862800 CPU: 5875.48, 0.00325017/step Wall: 5875.48, 0.00325017/step, 2.83235 hours remaining, 238.609375 MB of memory in use. ENERGY: 1862800 3981.7937 20248.7607 14482.3299 244.6811 -203725.1542 2840.9491 0.0000 0.0000 52374.3230 -109552.3169 300.9960 -161926.6398 -109184.0191 299.2109 126.9251 160.0799 760541.4842 -1.3862 -1.4370 PRESSURE: 1863000 6.30338 98.3762 -176.865 98.3762 -184.031 33.555 -176.865 33.5545 642.309 GPRESSURE: 1863000 -1.81459 35.2695 -121.595 90.6674 -113.628 49.2695 -204.975 25.7142 645.416 PRESSAVG: 1863000 13.8682 -54.4297 -53.7777 -54.4297 26.7735 -10.2185 -53.7777 -10.2184 -3.06443 GPRESSAVG: 1863000 13.1914 -54.1783 -52.2173 -55.1024 26.1454 -12.8022 -55.4978 -11.0521 -2.17925 TIMING: 1863000 CPU: 5876.13, 0.0032139/step Wall: 5876.13, 0.0032139/step, 2.80056 hours remaining, 238.609375 MB of memory in use. ENERGY: 1863000 3982.7726 20364.5110 14411.4115 237.3779 -203476.2096 2795.3005 0.0000 0.0000 52157.6117 -109527.2244 299.7505 -161684.8360 -109162.3303 299.1342 154.8603 176.6581 763242.5294 12.5258 12.3858 PRESSURE: 1863200 -81.7944 -149.016 -48.3246 -149.016 134.354 326.815 -48.3223 326.815 165.907 GPRESSURE: 1863200 88.1727 -196.605 19.3408 -30.8626 66.5116 377.812 -60.8515 250.734 152.066 PRESSAVG: 1863200 19.8766 -58.0796 -17.6124 -58.0795 -1.44256 41.6844 -17.6124 41.6844 9.40354 GPRESSAVG: 1863200 21.0254 -57.5395 -17.0157 -55.5803 -2.3164 42.0884 -17.5099 42.5179 9.46663 TIMING: 1863200 CPU: 5876.77, 0.00321827/step Wall: 5876.77, 0.00321827/step, 2.80418 hours remaining, 238.609375 MB of memory in use. ENERGY: 1863200 3973.7550 20458.5927 14524.0584 238.7062 -203858.4591 2856.8616 0.0000 0.0000 52236.1293 -109570.3559 300.2018 -161806.4852 -109207.7282 299.4886 72.8223 102.2501 760923.6528 9.2792 9.3919 PRESSURE: 1863400 45.4308 -214.756 48.7448 -214.757 86.9017 -300.023 48.7441 -300.023 -23.8716 GPRESSURE: 1863400 98.9291 -114.065 140.709 -218.42 72.7486 -309.126 28.9633 -285.85 25.5774 PRESSAVG: 1863400 47.4193 -89.0693 -34.993 -89.0693 -30.7855 -7.36445 -34.993 -7.36452 -13.3404 GPRESSAVG: 1863400 47.2155 -90.4752 -35.717 -90.9898 -30.1635 -8.24972 -35.5971 -7.29008 -13.6042 TIMING: 1863400 CPU: 5877.41, 0.00322234/step Wall: 5877.41, 0.00322234/step, 2.80755 hours remaining, 238.609375 MB of memory in use. ENERGY: 1863400 3887.8373 20706.7777 14476.6566 237.2963 -203815.5825 3051.3900 0.0000 0.0000 51940.7287 -109514.8960 298.5041 -161455.6246 -109154.8405 299.1262 36.1536 65.7517 761357.2246 1.0978 1.1493 PRESSURE: 1863600 -45.5041 -79.4229 -72.5654 -79.4229 230.746 -227.09 -72.5655 -227.09 -117.083 GPRESSURE: 1863600 -23.2622 -101.855 -2.38389 18.8426 296.665 -241.913 -67.4812 -263.126 -115.014 PRESSAVG: 1863600 47.5571 -65.3256 -21.0278 -65.3255 15.9775 -54.5918 -21.0278 -54.5919 2.37746 GPRESSAVG: 1863600 45.8326 -64.4956 -20.1039 -63.704 17.5889 -54.3852 -18.9551 -53.3802 2.6313 TIMING: 1863600 CPU: 5878.06, 0.00323138/step Wall: 5878.06, 0.00323138/step, 2.81525 hours remaining, 238.609375 MB of memory in use. ENERGY: 1863600 3903.0744 20422.7341 14453.0546 221.9531 -203635.1582 2886.6476 0.0000 0.0000 52170.5930 -109577.1013 299.8251 -161747.6943 -109200.0272 299.2978 22.7196 52.7963 761739.5312 21.9707 22.0176 PRESSURE: 1863800 208.619 -111.297 206.524 -111.297 100.078 -24.2684 206.525 -24.2685 -190.046 GPRESSURE: 1863800 136.292 -76.6309 165.452 -100.07 114.195 -73.0331 184.702 55.8104 -57.8633 PRESSAVG: 1863800 -13.4097 -56.0224 -30.7744 -56.0223 -26.4855 -4.66899 -30.7744 -4.66903 17.2946 GPRESSAVG: 1863800 -13.6539 -57.1285 -31.1883 -57.1714 -27.022 -2.66891 -30.4909 -7.3589 17.618 TIMING: 1863800 CPU: 5878.7, 0.00317723/step Wall: 5878.7, 0.00317723/step, 2.7679 hours remaining, 238.609375 MB of memory in use. ENERGY: 1863800 3988.0699 20485.0096 14525.7063 221.5252 -203532.5540 2971.6101 0.0000 0.0000 51916.5103 -109424.1227 298.3649 -161340.6330 -109059.6813 299.3602 39.5502 64.2079 763718.3757 -7.5335 -7.6860 PRESSURE: 1864000 535.253 -10.5831 -247.264 -10.5836 149.818 -80.7946 -247.264 -80.7949 31.0628 GPRESSURE: 1864000 547.109 -0.681022 -203.482 115.153 178.122 -61.982 -118.359 -85.6229 45.3317 PRESSAVG: 1864000 52.1807 -21.3786 -49.9432 -21.3785 -9.5652 -7.2855 -49.9432 -7.28547 -13.2703 GPRESSAVG: 1864000 53.2028 -19.1702 -49.198 -21.9264 -9.95283 -8.26274 -49.7159 -6.14281 -14.6729 TIMING: 1864000 CPU: 5879.33, 0.00317441/step Wall: 5879.33, 0.00317441/step, 2.76526 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1864000 4020.5175 20538.7019 14510.9498 255.1396 -203567.9918 2896.2698 0.0000 0.0000 51951.5203 -109394.8928 298.5661 -161346.4131 -109038.8915 299.3832 238.7114 256.8543 761609.2709 9.7817 9.5257 PRESSURE: 1864200 29.1225 -141.503 -260.709 -141.502 -113.109 -168.854 -260.708 -168.854 30.7578 GPRESSURE: 1864200 68.2815 -186.346 -149.026 -98.4235 -81.0654 -114.837 -211.739 -156.754 68.8619 PRESSAVG: 1864200 -9.02404 -52.2482 26.8981 -52.2482 -0.944297 4.82971 26.8981 4.8297 -9.6141 GPRESSAVG: 1864200 -9.22419 -53.8649 27.5136 -51.8589 -1.37345 4.86334 25.3074 6.44959 -9.39815 TIMING: 1864200 CPU: 5879.97, 0.00317529/step Wall: 5879.97, 0.00317528/step, 2.76585 hours remaining, 238.609375 MB of memory in use. ENERGY: 1864200 4005.7415 20551.7101 14473.3598 242.2761 -203650.5845 2961.4850 0.0000 0.0000 51925.2031 -109490.8088 298.4149 -161416.0119 -109130.7199 299.3707 -17.7429 18.6927 762272.4522 -6.5275 -6.6653 LDB: ============= START OF LOAD BALANCING ============== 5892.37 LDB: ============== END OF LOAD BALANCING =============== 5892.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5892.37 LDB: ============= START OF LOAD BALANCING ============== 5892.69 LDB: Largest compute 7034 load 0.034104 is 17.4% of average load 0.195892 LDB: Average compute 0.004396 is 2.2% of average load 0.195892 LDB: TIME 5892.69 LOAD: AVG 0.195892 MAX 0.219549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 5892.69 LOAD: AVG 0.195892 MAX 0.219549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: TIME 5892.69 LOAD: AVG 0.195892 MAX 0.219549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: ============== END OF LOAD BALANCING =============== 5892.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5892.7 PRESSURE: 1864400 -288.526 -232.865 -276.093 -232.865 -268.449 3.40953 -276.094 3.41002 -97.6277 GPRESSURE: 1864400 -272.729 -58.3226 -179.511 -159.251 -161.606 83.3763 -260.475 -108.965 -147.561 PRESSAVG: 1864400 40.4061 -42.1656 9.99242 -42.1655 -64.9929 -50.3649 9.99243 -50.365 20.4127 GPRESSAVG: 1864400 40.0048 -39.4786 8.83474 -41.9804 -64.4859 -50.1883 10.4247 -50.912 19.8076 TIMING: 1864400 CPU: 5880.62, 0.00324967/step Wall: 5880.62, 0.00324967/step, 2.83046 hours remaining, 238.351562 MB of memory in use. ENERGY: 1864400 3881.8589 20429.5447 14495.8761 249.4589 -203500.2269 2720.8917 0.0000 0.0000 52269.1795 -109453.4170 300.3917 -161722.5965 -109088.7155 299.1572 -218.2010 -193.9653 761371.9869 -1.3914 -1.5579 PRESSURE: 1864600 -315.434 73.2075 -177.436 73.2073 -203.545 -43.9978 -177.435 -43.9973 -92.6229 GPRESSURE: 1864600 -211.872 16.3164 -131.939 131.175 -156.737 -72.9363 -248.028 20.4695 -173.184 PRESSAVG: 1864600 42.3893 -22.4637 -24.4947 -22.4637 -12.2689 5.14416 -24.4947 5.14431 -8.85584 GPRESSAVG: 1864600 41.9073 -23.2962 -24.4294 -22.7761 -12.5961 3.45332 -25.1262 5.83242 -7.80703 TIMING: 1864600 CPU: 5881.25, 0.00319719/step Wall: 5881.25, 0.00319719/step, 2.78458 hours remaining, 238.351562 MB of memory in use. ENERGY: 1864600 4061.7794 20515.8044 14442.9395 243.3765 -202879.0678 2385.5538 0.0000 0.0000 52051.4123 -109178.2019 299.1402 -161229.6143 -108817.5741 299.6596 -203.8674 -180.5977 762539.5819 7.0882 7.1681 PRESSURE: 1864800 -12.9187 -179.526 -9.49564 -179.526 135.336 -127.189 -9.4963 -127.19 277.421 GPRESSURE: 1864800 15.3197 -181.338 -68.5136 -205.227 147.606 -131.482 -50.252 -155.698 320.256 PRESSAVG: 1864800 16.9116 -40.2693 -70.1616 -40.2693 -57.0595 -1.79755 -70.1616 -1.79762 -3.46116 GPRESSAVG: 1864800 17.8624 -39.3397 -70.0449 -40.6689 -57.1982 -1.12327 -70.5866 -3.71873 -4.12509 TIMING: 1864800 CPU: 5881.89, 0.00316997/step Wall: 5881.89, 0.00316997/step, 2.76069 hours remaining, 238.351562 MB of memory in use. ENERGY: 1864800 4005.6456 20462.7473 14435.6722 259.8948 -203581.5428 2858.5793 0.0000 0.0000 52399.9672 -109159.0363 301.1433 -161559.0035 -108790.5570 300.3136 133.2794 161.0605 760477.7371 -14.5364 -14.4870 PRESSURE: 1865000 -80.1737 -43.4288 -2.0873 -43.4289 -98.8326 183.28 -2.08676 183.28 -264.979 GPRESSURE: 1865000 -54.4025 -101.103 26.4897 -11.2774 -24.3256 134.467 61.3078 98.5105 -271.007 PRESSAVG: 1865000 80.1021 -53.1586 -2.51429 -53.1586 -43.8685 6.45956 -2.5143 6.45961 -3.22899 GPRESSAVG: 1865000 79.386 -52.2498 -2.94429 -53.656 -42.8283 8.0001 -2.07493 5.78325 -3.24348 TIMING: 1865000 CPU: 5882.53, 0.00318213/step Wall: 5882.53, 0.00318213/step, 2.77111 hours remaining, 238.351562 MB of memory in use. ENERGY: 1865000 4060.5188 20584.3491 14523.9945 246.2915 -203238.9717 2645.6871 0.0000 0.0000 52041.9895 -109136.1412 299.0860 -161178.1307 -108780.3671 300.5362 -147.9953 -116.5783 762970.1629 11.0015 11.1048 PRESSURE: 1865200 -124.19 -86.02 167.297 -86.0189 -242.392 -51.3813 167.296 -51.3825 -10.2083 GPRESSURE: 1865200 -73.0059 -32.2733 96.2847 -37.9763 -249.104 -35.9773 221.014 -114.158 47.6081 PRESSAVG: 1865200 56.4818 -22.1561 -0.92024 -22.156 -52.1769 11.8778 -0.920275 11.8777 -1.40483 GPRESSAVG: 1865200 57.0699 -24.0834 -0.304714 -21.2147 -52.7695 9.89529 0.277764 14.0843 -0.727509 TIMING: 1865200 CPU: 5883.17, 0.00321247/step Wall: 5883.17, 0.00321247/step, 2.79735 hours remaining, 238.351562 MB of memory in use. ENERGY: 1865200 4044.9856 20671.1220 14478.1210 232.2379 -203294.4254 2552.2624 0.0000 0.0000 52274.1184 -109041.5782 300.4201 -161315.6966 -108664.3475 299.8270 -125.5965 -91.5007 760625.7601 0.9667 1.1910 PRESSURE: 1865400 -104.388 -94.623 -82.0031 -94.6242 23.7736 51.9004 -82.003 51.9011 -271.285 GPRESSURE: 1865400 -83.1113 -184.034 3.07149 -102.404 74.5468 -14.9051 -108.19 83.254 -237.696 PRESSAVG: 1865400 49.542 -70.7215 -10.4664 -70.7216 -38.6152 -20.3443 -10.4664 -20.3444 10.7263 GPRESSAVG: 1865400 48.3178 -71.054 -9.25988 -69.6142 -37.8842 -20.536 -10.8555 -19.7143 11.2268 TIMING: 1865400 CPU: 5883.8, 0.00316912/step Wall: 5883.8, 0.00316912/step, 2.75943 hours remaining, 238.351562 MB of memory in use. ENERGY: 1865400 4081.8131 20826.4689 14527.5852 243.9023 -203366.5393 2388.0923 0.0000 0.0000 52420.1023 -108878.5750 301.2590 -161298.6774 -108517.9613 300.7448 -117.2998 -82.0870 761085.1016 7.2177 7.2201 PRESSURE: 1865600 56.5491 -20.7993 -159.886 -20.799 38.7311 38.8744 -159.886 38.8741 256.4 GPRESSURE: 1865600 109.208 81.1741 -105.702 -94.2287 97.783 0.512789 -31.6757 39.8385 216.249 PRESSAVG: 1865600 6.44223 -33.7496 -5.81819 -33.7495 -31.9336 38.0302 -5.81819 38.0303 -13.0523 GPRESSAVG: 1865600 6.53033 -33.4897 -6.48853 -33.9503 -32.5499 39.3457 -4.90127 37.6092 -13.3472 TIMING: 1865600 CPU: 5884.43, 0.00314426/step Wall: 5884.43, 0.00314426/step, 2.7376 hours remaining, 238.351562 MB of memory in use. ENERGY: 1865600 4026.3604 20591.3382 14525.2817 250.9469 -203338.0723 2595.3287 0.0000 0.0000 52453.0500 -108895.7665 301.4484 -161348.8165 -108519.1926 301.1763 117.2267 141.0803 761102.5957 -12.8479 -13.1222 PRESSURE: 1865800 -111.66 197.485 18.3598 197.485 -131.457 70.1235 18.3591 70.1235 -35.9833 GPRESSURE: 1865800 -115.111 -11.2761 147.527 147.737 -61.1468 78.0557 -69.0455 25.5732 -29.1916 PRESSAVG: 1865800 4.92665 -11.6761 -57.6562 -11.6761 -27.2675 -30.6424 -57.6563 -30.6424 -11.5545 GPRESSAVG: 1865800 4.42776 -11.8601 -57.7307 -13.6705 -26.7861 -29.9045 -59.3888 -33.1132 -11.6923 TIMING: 1865800 CPU: 5885.06, 0.00316752/step Wall: 5885.06, 0.00316752/step, 2.75767 hours remaining, 238.351562 MB of memory in use. ENERGY: 1865800 4046.6857 20566.7069 14416.8055 246.8443 -203220.9441 2501.7488 0.0000 0.0000 52449.9058 -108992.2471 301.4303 -161442.1529 -108639.2597 300.5421 -93.0333 -68.4832 762795.3769 -11.2985 -11.3502 PRESSURE: 1866000 -147.305 -30.6988 -201.299 -30.6991 351.728 -69.8341 -201.3 -69.8343 84.7276 GPRESSURE: 1866000 -58.9495 -84.6686 -206.964 -90.7358 256.294 -50.4942 -40.5466 67.1426 169.466 PRESSAVG: 1866000 38.9742 28.2431 -26.9418 28.243 -42.6399 4.13993 -26.9418 4.13989 5.35181 GPRESSAVG: 1866000 40.613 26.5061 -28.1792 28.7358 -43.4001 2.59437 -25.6603 7.68888 4.79862 TIMING: 1866000 CPU: 5885.7, 0.00319871/step Wall: 5885.7, 0.00319871/step, 2.78466 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1866000 4005.4975 20651.9350 14548.3625 256.8017 -203421.7918 2833.4887 0.0000 0.0000 52194.7787 -108930.9276 299.9641 -161125.7063 -108558.6696 300.4934 96.3836 122.2700 761204.8480 0.5621 0.6705 PRESSURE: 1866200 -110.501 -100.983 -76.9159 -100.983 -207.979 86.6281 -76.9159 86.6284 26.4414 GPRESSURE: 1866200 66.8106 -32.1002 -66.385 -48.5081 -291.569 -5.29644 -110.979 72.4851 13.9311 PRESSAVG: 1866200 8.04962 -47.9059 -8.30451 -47.9059 -28.236 -40.0674 -8.30454 -40.0674 10.8014 GPRESSAVG: 1866200 8.14957 -48.4723 -7.57416 -45.6316 -29.1499 -39.6163 -8.83213 -42.2078 11.4032 TIMING: 1866200 CPU: 5886.34, 0.00317851/step Wall: 5886.34, 0.00317851/step, 2.76689 hours remaining, 238.351562 MB of memory in use. ENERGY: 1866200 4036.6828 20514.2698 14407.1942 265.2437 -203398.0213 2732.4625 0.0000 0.0000 52230.7942 -109211.3741 300.1711 -161442.1683 -108842.7388 300.2239 -97.3464 -70.2758 761913.0937 -3.1283 -3.1990 PRESSURE: 1866400 36.7977 -183.478 -48.2776 -183.478 -153.134 -65.5043 -48.2783 -65.5042 -88.3907 GPRESSURE: 1866400 156.648 -280.691 -80.55 -160.281 -146.195 -94.4453 130.089 1.65309 -141.456 PRESSAVG: 1866400 65.742 -2.33969 -1.17775 -2.33962 -40.1516 -38.0149 -1.17772 -38.015 7.49975 GPRESSAVG: 1866400 65.9356 -0.0981788 -1.34573 -3.73436 -40.2512 -38.606 -1.5435 -34.2377 6.94299 TIMING: 1866400 CPU: 5886.98, 0.00321516/step Wall: 5886.98, 0.00321516/step, 2.79862 hours remaining, 238.351562 MB of memory in use. ENERGY: 1866400 4052.0560 20423.0083 14422.4549 256.0941 -203110.8392 2553.8469 0.0000 0.0000 51927.7120 -109475.6670 298.4293 -161403.3790 -109111.9469 299.6930 -68.2424 -43.6676 762751.9658 11.0301 10.8758 PRESSURE: 1866600 -233.466 140.433 -192.549 140.434 96.7999 189.133 -192.55 189.133 97.798 GPRESSURE: 1866600 -146.901 123.15 -225.43 130.386 108.174 167.523 -80.3709 100.535 97.1849 PRESSAVG: 1866600 -29.5736 -46.2847 -14.5917 -46.2846 46.3562 -68.5346 -14.5918 -68.5348 -36.3173 GPRESSAVG: 1866600 -29.6659 -47.0528 -14.3234 -46.8787 46.7965 -68.416 -16.4525 -69.8066 -36.71 TIMING: 1866600 CPU: 5887.63, 0.00323381/step Wall: 5887.63, 0.00323381/step, 2.81467 hours remaining, 238.351562 MB of memory in use. ENERGY: 1866600 4023.2014 20699.8141 14423.3407 238.9676 -203332.1782 2628.1876 0.0000 0.0000 52067.5714 -109251.0955 299.2330 -161318.6669 -108892.5604 299.5675 -12.9560 19.4862 761687.8811 -6.5116 -6.5265 PRESSURE: 1866800 -272.525 57.0775 43.9246 57.0772 -70.5169 205.209 43.9251 205.208 -255.876 GPRESSURE: 1866800 -179.652 105.377 25.427 -62.614 -71.6033 179.814 201.166 128.369 -265.025 PRESSAVG: 1866800 -26.1906 -22.5074 31.2567 -22.5075 2.82178 -50.9081 31.2567 -50.9081 14.3938 GPRESSAVG: 1866800 -27.6587 -20.9491 31.5613 -23.151 4.29472 -49.11 32.5345 -54.0853 14.5827 TIMING: 1866800 CPU: 5888.26, 0.00317833/step Wall: 5888.26, 0.00317834/step, 2.76621 hours remaining, 238.351562 MB of memory in use. ENERGY: 1866800 4039.9095 20490.1690 14430.2836 250.1582 -203153.2824 2539.1692 0.0000 0.0000 51979.8218 -109423.7712 298.7288 -161403.5929 -109060.5894 299.5117 -199.6393 -172.0936 763008.1165 -2.9917 -2.9271 PRESSURE: 1867000 -23.598 168.32 -79.4048 168.321 -289.231 -364.753 -79.4056 -364.754 -199.664 GPRESSURE: 1867000 -33.862 185.248 -111.322 70.9367 -178.209 -297.446 -66.4235 -251.047 -211.102 PRESSAVG: 1867000 -17.0511 7.78971 8.55579 7.7897 54.1951 -74.7501 8.55579 -74.75 14.1096 GPRESSAVG: 1867000 -16.0796 6.61903 7.35484 10.4483 53.2326 -76.4044 9.44911 -72.5464 14.368 TIMING: 1867000 CPU: 5888.89, 0.00314745/step Wall: 5888.89, 0.00314745/step, 2.73915 hours remaining, 238.351562 MB of memory in use. ENERGY: 1867000 3984.7162 20525.1135 14447.2156 225.8870 -203578.8519 2829.3396 0.0000 0.0000 52176.1906 -109390.3893 299.8573 -161566.5799 -109028.1778 299.6054 -170.8310 -141.0579 761999.7631 17.0845 17.1737 PRESSURE: 1867200 -143.427 -4.55224 -257.418 -4.55267 -76.994 -208.494 -257.419 -208.495 122.619 GPRESSURE: 1867200 -89.0102 48.2259 -230.444 13.3248 -48.165 -235.298 -146.442 -251.584 130.231 PRESSAVG: 1867200 -5.17067 45.0545 -57.7252 45.0546 11.4524 -22.8417 -57.7252 -22.8416 12.7658 GPRESSAVG: 1867200 -4.69567 43.9051 -57.5215 44.9038 9.75 -21.7676 -58.356 -23.8579 14.0444 TIMING: 1867200 CPU: 5889.53, 0.00318964/step Wall: 5889.53, 0.00318964/step, 2.7757 hours remaining, 238.351562 MB of memory in use. ENERGY: 1867200 4012.4242 20621.2138 14402.9305 236.5977 -203381.0254 2565.0435 0.0000 0.0000 52148.6060 -109394.2097 299.6988 -161542.8157 -109031.5515 299.3369 -32.6009 -2.3148 761117.6310 6.3492 6.3662 PRESSURE: 1867400 337.557 -94.6309 256.023 -94.6302 -252.759 -183.246 256.024 -183.246 11.6401 GPRESSURE: 1867400 414.72 -101.894 309.835 -75.4447 -216.125 -213.279 372.97 -105.338 -7.91152 PRESSAVG: 1867400 38.1995 0.234473 -12.1412 0.23449 -2.41115 -58.6848 -12.1412 -58.6848 -5.16694 GPRESSAVG: 1867400 38.2201 0.711413 -11.8095 -3.25396 -1.33783 -60.2268 -9.28958 -56.7349 -6.61325 TIMING: 1867400 CPU: 5890.18, 0.00323666/step Wall: 5890.18, 0.00323666/step, 2.81643 hours remaining, 238.351562 MB of memory in use. ENERGY: 1867400 3988.2459 20481.3167 14409.0410 249.7053 -203217.4317 2574.9680 0.0000 0.0000 52030.9530 -109483.2018 299.0226 -161514.1548 -109129.4663 299.5834 32.1460 63.5609 759222.5069 10.2071 10.0897 PRESSURE: 1867600 20.4118 56.007 -26.5942 56.0071 92.9241 205.887 -26.5948 205.887 67.2762 GPRESSURE: 1867600 -33.6408 71.0992 -25.113 54.4386 228.411 276.524 -194.555 298.377 58.3393 PRESSAVG: 1867600 -25.4635 -5.38801 13.1204 -5.38797 42.8266 -34.7474 13.1204 -34.7475 -9.10124 GPRESSAVG: 1867600 -27.3876 -3.79379 12.6419 -4.77838 43.5811 -33.3019 11.6481 -36.7476 -8.30324 TIMING: 1867600 CPU: 5890.82, 0.00321603/step Wall: 5890.82, 0.00321603/step, 2.79831 hours remaining, 238.351562 MB of memory in use. ENERGY: 1867600 3965.5322 20473.4887 14474.5167 230.2802 -203518.3242 2840.7675 0.0000 0.0000 52000.4487 -109533.2902 298.8473 -161533.7389 -109173.8320 299.2988 60.2040 84.3697 760197.2113 2.7540 2.6301 PRESSURE: 1867800 32.4855 -75.7965 -86.4471 -75.7959 125.306 -34.0542 -86.4473 -34.0533 185.236 GPRESSURE: 1867800 88.5165 -184.738 -8.62764 -27.5756 99.7214 -0.715968 -76.351 -114.758 227.579 PRESSAVG: 1867800 -29.7707 -9.8409 9.16718 -9.8409 53.0773 -2.7123 9.1672 -2.71238 21.1924 GPRESSAVG: 1867800 -28.933 -11.8256 8.52636 -6.96051 51.6935 -2.62243 7.75184 -0.505836 21.0913 TIMING: 1867800 CPU: 5891.46, 0.00318683/step Wall: 5891.46, 0.00318683/step, 2.77272 hours remaining, 238.351562 MB of memory in use. ENERGY: 1867800 3945.2084 20458.2571 14388.9331 245.0434 -203329.4232 2578.1071 0.0000 0.0000 52006.1488 -109707.7253 298.8801 -161713.8741 -109328.3511 299.0880 114.3426 138.6058 760686.0275 14.8330 14.6172 PRESSURE: 1868000 103.775 -218.587 102.414 -218.587 106.378 -24.6973 102.413 -24.696 -186.397 GPRESSURE: 1868000 194.21 -182.19 99.0111 -374.02 106.885 -28.4593 -38.5857 -33.889 -179.806 PRESSAVG: 1868000 -67.507 -63.478 -43.215 -63.478 62.8297 22.2866 -43.2149 22.2865 15.8468 GPRESSAVG: 1868000 -67.8634 -64.1246 -41.7509 -66.3779 62.6937 21.9652 -43.5864 21.1663 16.3112 TIMING: 1868000 CPU: 5892.09, 0.00314523/step Wall: 5892.09, 0.00314523/step, 2.73635 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1868000 3854.3392 20459.8956 14475.5647 251.2742 -203475.2666 2697.3610 0.0000 0.0000 52102.5459 -109634.2860 299.4340 -161736.8320 -109270.7578 298.4661 7.9188 40.4298 760944.4748 3.7232 3.7138 PRESSURE: 1868200 -89.9535 -198.214 -136.244 -198.214 11.5903 70.1025 -136.244 70.1029 792.31 GPRESSURE: 1868200 -47.7942 -96.3224 -40.6991 -187.638 101.041 -0.113455 -96.9952 175.228 733.468 PRESSAVG: 1868200 24.1314 -5.70507 -46.8416 -5.70506 34.5326 18.2365 -46.8417 18.2365 37.0915 GPRESSAVG: 1868200 23.9071 -5.47752 -47.7011 -2.91622 34.5494 18.7205 -45.5898 19.9405 37.0951 TIMING: 1868200 CPU: 5892.72, 0.00316903/step Wall: 5892.72, 0.00316903/step, 2.75688 hours remaining, 238.351562 MB of memory in use. ENERGY: 1868200 3973.8497 20563.6534 14451.2923 266.5868 -203247.9423 2307.7162 0.0000 0.0000 52125.1929 -109559.6511 299.5642 -161684.8439 -109181.8096 298.8963 237.9824 262.2385 760663.4067 31.9185 31.8505 LDB: ============= START OF LOAD BALANCING ============== 5905.12 LDB: ============== END OF LOAD BALANCING =============== 5905.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5905.12 LDB: ============= START OF LOAD BALANCING ============== 5905.44 LDB: Largest compute 7034 load 0.035646 is 18.2% of average load 0.195974 LDB: Average compute 0.004373 is 2.2% of average load 0.195974 LDB: TIME 5905.44 LOAD: AVG 0.195974 MAX 0.214116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.328 MB LDB: TIME 5905.44 LOAD: AVG 0.195974 MAX 0.214116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 5905.44 LOAD: AVG 0.195974 MAX 0.214116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 5905.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5905.45 PRESSURE: 1868400 -329.216 -82.2183 135.425 -82.2185 -616.738 393.906 135.425 393.905 -581.027 GPRESSURE: 1868400 -301.506 -158.411 255.248 -36.9808 -553.651 372.494 64.9468 352.422 -588.108 PRESSAVG: 1868400 -1.56093 -22.5682 21.627 -22.5682 -41.8224 -30.3628 21.627 -30.3628 -12.0156 GPRESSAVG: 1868400 -1.94663 -21.3506 23.5109 -24.9369 -41.2263 -29.8427 21.156 -31.8867 -12.1647 TIMING: 1868400 CPU: 5893.37, 0.00321792/step Wall: 5893.37, 0.00321792/step, 2.79923 hours remaining, 238.351562 MB of memory in use. ENERGY: 1868400 3990.0662 20428.2535 14471.7336 244.8390 -203257.0700 2429.5069 0.0000 0.0000 51922.5818 -109770.0891 298.3998 -161692.6708 -109401.6258 298.7146 -508.9940 -481.0881 762932.0375 -18.4663 -18.4459 PRESSURE: 1868600 338.732 52.4803 -11.1794 52.4809 226.822 -6.09053 -11.1788 -6.08965 2.05491 GPRESSURE: 1868600 378.198 174.311 25.6128 55.1106 276.61 2.28727 -30.677 -105.291 -16.7946 PRESSAVG: 1868600 -15.3068 -32.8195 25.3336 -32.8195 36.7368 -6.7211 25.3336 -6.72105 -2.5167 GPRESSAVG: 1868600 -13.2434 -34.694 24.6038 -30.3883 36.918 -7.789 26.1856 -7.10929 -4.16201 TIMING: 1868600 CPU: 5894.01, 0.00319398/step Wall: 5894.01, 0.00319398/step, 2.77823 hours remaining, 238.351562 MB of memory in use. ENERGY: 1868600 4000.0032 20599.8797 14407.4534 239.3622 -203825.9241 2839.6879 0.0000 0.0000 51951.3504 -109788.1873 298.5651 -161739.5377 -109428.3400 298.6151 189.2028 212.6711 759775.2295 6.3044 6.5042 PRESSURE: 1868800 -176.905 -198.414 -16.3663 -198.414 164.718 22.8895 -16.367 22.8894 -227.448 GPRESSURE: 1868800 -190.168 -200.567 8.96594 -203.802 225.14 103.017 -18.0277 -12.1205 -203.771 PRESSAVG: 1868800 13.7989 -47.7048 40.379 -47.7049 -19.6002 -17.0805 40.3791 -17.0805 7.04015 GPRESSAVG: 1868800 11.8304 -46.4807 38.8547 -48.6282 -20.1676 -16.9606 39.13 -16.1614 8.91943 TIMING: 1868800 CPU: 5894.64, 0.00316289/step Wall: 5894.64, 0.00316289/step, 2.75101 hours remaining, 238.351562 MB of memory in use. ENERGY: 1868800 3998.3220 20656.3729 14418.3311 247.0536 -203730.3628 2714.3610 0.0000 0.0000 51755.0719 -109940.8505 297.4371 -161695.9224 -109582.2637 298.5696 -79.8781 -56.2661 761612.3508 0.4129 0.1941 PRESSURE: 1869000 -81.9628 -17.202 167.297 -17.2017 -217.027 128.891 167.295 128.89 -27.8204 GPRESSURE: 1869000 36.7154 37.7024 191.284 40.4178 -174.794 124.024 147.085 197.472 -102.989 PRESSAVG: 1869000 -3.19385 3.15008 35.0968 3.15012 18.8436 -5.57805 35.0968 -5.57798 33.9036 GPRESSAVG: 1869000 -1.71782 3.24059 36.9882 4.0723 19.1 -5.78367 36.2541 -7.09811 32.5021 TIMING: 1869000 CPU: 5895.27, 0.00315691/step Wall: 5895.27, 0.00315691/step, 2.74563 hours remaining, 238.351562 MB of memory in use. ENERGY: 1869000 3916.0353 20570.3813 14366.3823 241.9400 -203217.8336 2330.3516 0.0000 0.0000 51983.2577 -109809.4855 298.7485 -161792.7432 -109446.3612 298.5698 -108.9369 -80.3560 763039.1335 16.5178 16.6281 PRESSURE: 1869200 -137.347 -29.3525 127.487 -29.3531 -95.1773 -73.0524 127.487 -73.0523 -147.866 GPRESSURE: 1869200 -105.427 61.9145 40.4698 2.85171 -53.376 -150.958 130.834 -98.4715 -116.02 PRESSAVG: 1869200 -25.8966 4.70124 9.56 4.70125 11.1901 33.351 9.55998 33.351 -4.45037 GPRESSAVG: 1869200 -26.9391 5.84145 9.80028 4.02371 11.9751 31.9213 7.79702 35.5297 -4.21579 TIMING: 1869200 CPU: 5895.9, 0.0031544/step Wall: 5895.9, 0.0031544/step, 2.74327 hours remaining, 238.351562 MB of memory in use. ENERGY: 1869200 3985.6014 20560.8992 14430.6129 246.2579 -203485.8887 2675.7765 0.0000 0.0000 52010.7729 -109575.9679 298.9066 -161586.7408 -109219.8995 298.5983 -126.7969 -91.6078 761884.6058 -6.3856 -6.3933 PRESSURE: 1869400 85.3961 -74.6838 60.3288 -74.6845 -167.075 38.7282 60.3285 38.7273 237.366 GPRESSURE: 1869400 216.717 -163.963 20.4868 -102.081 -168.671 51.2922 -39.3047 72.8246 179.123 PRESSAVG: 1869400 13.4918 -20.5957 27.2804 -20.5958 10.0382 53.1185 27.2803 53.1185 22.123 GPRESSAVG: 1869400 14.7919 -21.3705 25.4844 -20.7589 9.61433 55.6206 27.7188 49.7252 21.4742 TIMING: 1869400 CPU: 5896.53, 0.00315014/step Wall: 5896.53, 0.00315014/step, 2.7394 hours remaining, 238.351562 MB of memory in use. ENERGY: 1869400 3917.6782 20557.7247 14414.2559 259.3323 -203437.9685 2627.6402 0.0000 0.0000 52146.5734 -109514.7639 299.6871 -161661.3373 -109143.6483 299.2222 51.8957 75.7231 761329.5165 15.2177 15.2935 PRESSURE: 1869600 -259.351 137.25 140.068 137.25 -85.1172 -226.343 140.068 -226.344 5.73796 GPRESSURE: 1869600 -239.462 139.603 246.717 125.342 -21.6889 -283.797 35.2038 -333.216 6.59805 PRESSAVG: 1869600 27.6173 22.4563 -26.023 22.4563 -11.3275 -19.5702 -26.0229 -19.5702 4.14892 GPRESSAVG: 1869600 27.1376 22.2619 -25.4119 22.849 -11.0284 -19.7639 -24.18 -19.814 4.49871 TIMING: 1869600 CPU: 5897.16, 0.00314379/step Wall: 5897.16, 0.00314379/step, 2.7337 hours remaining, 238.351562 MB of memory in use. ENERGY: 1869600 4034.2694 20574.4258 14430.1130 261.0796 -203692.5741 2655.4290 0.0000 0.0000 51997.5747 -109739.6826 298.8308 -161737.2573 -109380.4892 299.0460 -112.9102 -84.8511 761651.7945 6.8129 6.8693 PRESSURE: 1869800 -156.697 12.1379 70.2361 12.138 -196.32 -220.543 70.2369 -220.543 -57.1555 GPRESSURE: 1869800 -74.176 -17.0132 7.48954 -51.3857 -158.438 -194.787 20.5137 -90.3868 -74.737 PRESSAVG: 1869800 -22.1193 25.2864 15.0859 25.2864 28.5331 -21.157 15.0858 -21.1569 -19.795 GPRESSAVG: 1869800 -22.7595 22.9223 14.8651 25.425 29.8304 -21.8265 12.6384 -17.9868 -20.2893 TIMING: 1869800 CPU: 5897.79, 0.00314684/step Wall: 5897.79, 0.00314684/step, 2.73617 hours remaining, 238.351562 MB of memory in use. ENERGY: 1869800 3934.9501 20397.6121 14409.3092 269.2405 -203431.8873 2607.3010 0.0000 0.0000 52083.6473 -109729.8272 299.3254 -161813.4745 -109360.7070 298.8608 -136.7241 -102.4502 762228.1905 -4.4604 -4.4061 PRESSURE: 1870000 93.7093 260.321 -119.71 260.321 -117.298 -44.2173 -119.711 -44.2181 379.25 GPRESSURE: 1870000 180.849 261.922 -44.9946 230.722 -129.748 4.14735 -127.43 32.4694 380.645 PRESSAVG: 1870000 7.41545 -25.2392 20.6915 -25.2392 -7.52103 -1.23678 20.6915 -1.23685 -11.5934 GPRESSAVG: 1870000 7.2878 -23.301 20.9056 -26.0255 -7.78876 -2.59109 21.6074 -0.134667 -10.8269 TIMING: 1870000 CPU: 5898.43, 0.00318789/step Wall: 5898.43, 0.00318789/step, 2.77169 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1870000 3991.8366 20447.7833 14523.4368 225.4240 -203787.2678 2900.4106 0.0000 0.0000 52001.5920 -109696.7844 298.8539 -161698.3765 -109337.7389 298.4120 118.5539 143.9156 759983.0950 -3.8997 -3.7759 PRESSURE: 1870200 106.316 -33.0014 169.819 -33.0011 -107.563 -29.6751 169.819 -29.6755 -438.41 GPRESSURE: 1870200 211.905 -17.6066 59.2435 -99.1723 -89.4431 -22.689 173.437 -89.4226 -474.896 PRESSAVG: 1870200 -21.4361 -34.7907 1.04205 -34.7906 5.28051 9.56261 1.04206 9.56262 -7.04596 GPRESSAVG: 1870200 -19.7998 -35.4829 -0.745937 -34.0734 4.41054 11.4177 2.24962 8.76989 -7.85231 TIMING: 1870200 CPU: 5899.06, 0.00317935/step Wall: 5899.06, 0.00317935/step, 2.76409 hours remaining, 238.351562 MB of memory in use. ENERGY: 1870200 3961.2380 20402.5230 14414.6000 230.0402 -203453.8987 2661.9785 0.0000 0.0000 52320.4782 -109463.0408 300.6865 -161783.5190 -109096.3511 299.0882 -146.5523 -117.4782 761535.6460 -7.7339 -7.7472 PRESSURE: 1870400 162.366 10.2463 36.7056 10.2456 -90.864 40.4584 36.7065 40.4585 160.215 GPRESSURE: 1870400 203.827 -1.17254 -52.3608 12.0513 -19.0615 -6.94128 43.1928 -18.5184 145.804 PRESSAVG: 1870400 -19.8352 -53.6132 39.7044 -53.6132 39.2555 -35.4147 39.7044 -35.4147 -1.69495 GPRESSAVG: 1870400 -20.3741 -50.8213 40.9185 -53.9609 39.1681 -36.0599 39.4629 -38.4865 -0.564105 TIMING: 1870400 CPU: 5899.7, 0.00318358/step Wall: 5899.7, 0.00318358/step, 2.76759 hours remaining, 238.351562 MB of memory in use. ENERGY: 1870400 4000.7332 20306.9197 14468.6600 258.7690 -203357.7640 2512.2097 0.0000 0.0000 52359.0664 -109451.4061 300.9083 -161810.4725 -109090.8376 298.9946 77.2392 110.1899 760330.4136 5.9084 6.0766 PRESSURE: 1870600 -341.386 35.8247 -155.674 35.8247 70.4473 -100.054 -155.675 -100.054 134.572 GPRESSURE: 1870600 -334.679 51.8958 -100.119 -3.09534 15.8102 -121.842 -101.088 69.0996 253.184 PRESSAVG: 1870600 -6.85374 -9.49502 -3.00134 -9.495 -3.90274 15.6211 -3.00131 15.6211 1.31337 GPRESSAVG: 1870600 -7.11368 -10.1685 -1.98434 -8.35918 -4.32426 14.6919 -3.91454 17.4725 1.65463 TIMING: 1870600 CPU: 5900.33, 0.00315829/step Wall: 5900.33, 0.00315829/step, 2.74543 hours remaining, 238.351562 MB of memory in use. ENERGY: 1870600 3944.8984 20545.7720 14414.8505 253.7734 -203572.5444 2786.1688 0.0000 0.0000 52254.3130 -109372.7682 300.3063 -161627.0812 -109014.9407 299.1557 -45.4556 -21.8948 761829.6828 -3.1477 -3.2611 PRESSURE: 1870800 356.198 23.2343 -211.744 23.2347 342.698 -35.3168 -211.743 -35.3168 67.1344 GPRESSURE: 1870800 334.73 -16.1862 -245.517 -30.9647 412.882 -94.0072 -126.477 11.0855 108.357 PRESSAVG: 1870800 -0.647514 33.7118 4.73993 33.7118 10.6249 -1.68353 4.73991 -1.68354 22.5833 GPRESSAVG: 1870800 -2.06668 32.7242 2.94845 31.3001 12.705 -0.647504 5.01236 -2.28981 22.2671 TIMING: 1870800 CPU: 5900.96, 0.0031591/step Wall: 5900.96, 0.00315909/step, 2.74596 hours remaining, 238.351562 MB of memory in use. ENERGY: 1870800 3977.1425 20445.7413 14458.0024 250.5088 -202880.4450 2817.2712 0.0000 0.0000 51921.4230 -109010.3559 298.3931 -160931.7789 -108663.3314 299.5206 255.3436 285.3233 762459.7695 10.8536 10.9685 PRESSURE: 1871000 -3.50732 -101.678 88.671 -101.678 -139.172 -100.463 88.6706 -100.462 391.625 GPRESSURE: 1871000 96.3452 -199.828 40.4752 -77.6257 -135.283 -123.735 -15.202 -22.0944 372.717 PRESSAVG: 1871000 -56.8659 -67.0932 21.0213 -67.0933 -5.11325 33.9964 21.0213 33.9964 -11.2306 GPRESSAVG: 1871000 -57.556 -68.6356 21.3492 -67.9974 -6.02214 31.9683 21.7164 35.033 -10.8178 TIMING: 1871000 CPU: 5901.6, 0.00316529/step Wall: 5901.6, 0.00316529/step, 2.75117 hours remaining, 238.351562 MB of memory in use. ENERGY: 1871000 3912.0472 20324.5680 14534.1260 241.0545 -203235.4443 2766.4645 0.0000 0.0000 52488.4555 -108968.7286 301.6519 -161457.1841 -108603.9378 300.0682 82.9819 111.2597 762846.6318 -24.4033 -24.7986 PRESSURE: 1871200 -234.865 -77.3403 206.986 -77.3398 -35.929 -235.937 206.986 -235.938 -524.744 GPRESSURE: 1871200 -196.241 -10.8565 202.716 -56.3782 -46.2161 -191.39 174.508 -268.341 -470.612 PRESSAVG: 1871200 -0.0735266 -64.0959 5.65188 -64.0958 25.2106 -10.4377 5.65185 -10.4377 19.3575 GPRESSAVG: 1871200 -1.00958 -62.2197 7.43772 -62.5083 25.3075 -8.14411 5.88795 -10.7662 19.9866 TIMING: 1871200 CPU: 5902.24, 0.00320989/step Wall: 5902.24, 0.00320989/step, 2.78975 hours remaining, 238.351562 MB of memory in use. ENERGY: 1871200 3982.7881 20488.4594 14509.1345 238.0323 -202969.4498 2485.0964 0.0000 0.0000 52212.0631 -109053.8760 300.0634 -161265.9391 -108687.9001 300.4732 -265.1790 -237.6896 764734.1790 14.8315 14.7615 PRESSURE: 1871400 56.8231 -155.441 -29.9622 -155.439 142.554 -195.841 -29.9625 -195.84 -60.3095 GPRESSURE: 1871400 175.308 -188.795 -67.6476 -150.58 110.948 -184.298 -48.0478 -263.898 -53.0136 PRESSAVG: 1871400 31.1369 -31.3259 -35.9707 -31.3258 5.7134 32.4663 -35.9707 32.4663 -7.78837 GPRESSAVG: 1871400 32.8386 -32.7839 -37.0458 -30.7759 4.46636 32.9405 -36.0347 31.8058 -8.18968 TIMING: 1871400 CPU: 5902.88, 0.00319457/step Wall: 5902.88, 0.00319458/step, 2.77626 hours remaining, 238.351562 MB of memory in use. ENERGY: 1871400 3913.9545 20394.7505 14485.0394 237.7267 -203074.0816 2573.9770 0.0000 0.0000 52199.5331 -109269.1005 299.9914 -161468.6336 -108894.4578 299.8523 46.3558 77.7472 763876.9210 9.6873 9.7051 PRESSURE: 1871600 71.2163 -370.014 63.2366 -370.013 -210.963 -21.3438 63.2357 -21.3432 126.265 GPRESSURE: 1871600 115.272 -251.917 -11.621 -320.849 -202.071 3.0698 102.957 -32.158 135.632 PRESSAVG: 1871600 8.62573 -74.1896 -15.4556 -74.1896 18.9821 -31.6058 -15.4557 -31.6058 -20.3255 GPRESSAVG: 1871600 8.81723 -75.2036 -16.6108 -74.2055 19.9953 -32.7968 -15.6609 -30.7761 -21.1769 TIMING: 1871600 CPU: 5903.51, 0.00317415/step Wall: 5903.51, 0.00317415/step, 2.75833 hours remaining, 238.351562 MB of memory in use. ENERGY: 1871600 3975.0991 20449.3549 14530.9728 245.1910 -203068.9308 2538.1971 0.0000 0.0000 52145.7299 -109184.3860 299.6822 -161330.1159 -108829.6854 299.3067 -4.4940 16.2775 761608.3521 2.4274 2.5452 PRESSURE: 1871800 121.583 81.9584 -12.0907 81.9588 -49.0994 146.946 -12.0908 146.946 121.155 GPRESSURE: 1871800 213.498 -50.2735 16.1234 32.4656 -103.34 166.631 -103.209 81.8592 158.572 PRESSAVG: 1871800 -11.3382 22.0852 8.58862 22.0853 -43.0979 -31.604 8.58859 -31.604 12.4533 GPRESSAVG: 1871800 -12.4416 23.4595 9.09159 22.0275 -42.7119 -31.5894 10.309 -32.1043 13.083 TIMING: 1871800 CPU: 5904.15, 0.00318188/step Wall: 5904.15, 0.00318188/step, 2.76488 hours remaining, 238.351562 MB of memory in use. ENERGY: 1871800 4034.4504 20391.8809 14543.4990 233.9477 -203050.8704 2502.1182 0.0000 0.0000 52118.9844 -109225.9899 299.5285 -161344.9743 -108862.1637 299.1545 64.5463 89.5762 761564.6570 -13.9943 -14.0235 PRESSURE: 1872000 -176.034 32.6621 328.165 32.6619 -34.992 -141.59 328.165 -141.59 -36.2248 GPRESSURE: 1872000 -185.474 58.3269 278.054 36.0355 -10.5069 -172.758 291.377 -176.044 25.7704 PRESSAVG: 1872000 48.8257 41.4339 -9.77933 41.4339 -38.3295 6.18862 -9.77939 6.18862 9.00815 GPRESSAVG: 1872000 48.3474 40.7594 -10.4265 41.6387 -38.2867 5.73575 -10.108 6.78486 9.13072 TIMING: 1872000 CPU: 5904.78, 0.00316605/step Wall: 5904.78, 0.00316605/step, 2.75094 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1872000 4052.0549 20439.3882 14542.5309 247.9992 -203044.6677 2488.4634 0.0000 0.0000 52195.7443 -109078.4869 299.9697 -161274.2312 -108722.7108 299.7752 -82.4168 -56.7367 762039.6294 6.5015 6.3972 PRESSURE: 1872200 -612.596 -130.748 -168.967 -130.748 -45.9786 -258.697 -168.968 -258.696 101.05 GPRESSURE: 1872200 -545.622 -84.0187 -130.275 -101.74 25.6863 -282.854 -50.6287 -209.938 44.1598 PRESSAVG: 1872200 -10.9816 -0.456791 -32.5828 -0.456752 -12.646 15.0901 -32.5828 15.0901 -1.5275 GPRESSAVG: 1872200 -9.52928 0.76817 -31.1144 -2.84243 -14.5293 15.402 -32.3759 15.3061 -1.26999 TIMING: 1872200 CPU: 5905.41, 0.00316356/step Wall: 5905.41, 0.00316356/step, 2.74861 hours remaining, 238.351562 MB of memory in use. ENERGY: 1872200 4078.5706 20621.5314 14485.2000 267.3467 -202788.7533 2367.3598 0.0000 0.0000 51848.4484 -109120.2964 297.9737 -160968.7448 -108773.1770 300.0476 -185.8415 -158.5920 763233.7660 -8.3850 -8.4429 LDB: ============= START OF LOAD BALANCING ============== 5917.81 LDB: ============== END OF LOAD BALANCING =============== 5917.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5917.81 LDB: ============= START OF LOAD BALANCING ============== 5918.13 LDB: Largest compute 7034 load 0.034798 is 17.8% of average load 0.195957 LDB: Average compute 0.004416 is 2.3% of average load 0.195957 LDB: TIME 5918.13 LOAD: AVG 0.195957 MAX 0.218355 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 5918.13 LOAD: AVG 0.195957 MAX 0.218355 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 5918.13 LOAD: AVG 0.195957 MAX 0.218355 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5918.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5918.14 PRESSURE: 1872400 -153.69 78.8923 37.1788 78.8932 75.1556 -207.953 37.1794 -207.953 709.226 GPRESSURE: 1872400 -129.683 -53.1996 106.667 -21.023 109.161 -189.214 -5.75962 -159.688 751.582 PRESSAVG: 1872400 4.02368 -8.55615 -9.4464 -8.55612 42.1438 -16.2064 -9.44638 -16.2064 24.4306 GPRESSAVG: 1872400 2.97443 -10.0898 -9.27896 -6.59087 43.2801 -15.1233 -11.3143 -16.9221 24.062 TIMING: 1872400 CPU: 5906.06, 0.00322267/step Wall: 5906.06, 0.00322267/step, 2.79978 hours remaining, 238.738281 MB of memory in use. ENERGY: 1872400 3991.0022 20410.5490 14479.0462 255.7288 -203095.8619 2574.5744 0.0000 0.0000 52080.3649 -109304.5965 299.3066 -161384.9614 -108940.2690 299.7353 210.2305 243.6867 761257.5794 23.5327 23.4388 PRESSURE: 1872600 128.008 -80.2725 -241.661 -80.2721 75.4095 -41.6543 -241.66 -41.6537 -40.9594 GPRESSURE: 1872600 149.532 -86.9906 -243.774 -86.4888 95.2763 -47.8908 -337.109 -23.2179 4.85131 PRESSAVG: 1872600 17.9986 -19.3384 -17.6975 -19.3383 -47.1365 36.4358 -17.6975 36.4358 1.72899 GPRESSAVG: 1872600 17.2656 -18.1199 -17.3177 -19.9492 -47.2951 35.0143 -18.3836 36.5003 2.58875 TIMING: 1872600 CPU: 5906.69, 0.0031413/step Wall: 5906.69, 0.0031413/step, 2.72892 hours remaining, 238.941406 MB of memory in use. ENERGY: 1872600 3957.1078 20499.5366 14454.2368 243.6759 -202734.9084 2328.5378 0.0000 0.0000 51917.7730 -109334.0405 298.3722 -161251.8135 -108982.7166 299.1213 54.1527 83.2198 759884.7882 -9.1363 -9.1469 PRESSURE: 1872800 260.343 -142.236 -35.3135 -142.235 -83.7564 -160.658 -35.3123 -160.658 -121.384 GPRESSURE: 1872800 236.982 -158.215 56.2246 -129.081 -96.8052 -230.89 -26.9529 -129.275 -5.30941 PRESSAVG: 1872800 42.3728 6.10069 28.7477 6.10067 -43.2366 -12.5419 28.7477 -12.5419 3.09597 GPRESSAVG: 1872800 43.1624 5.21684 28.0569 7.52686 -42.6401 -11.0161 31.2209 -13.1482 2.29109 TIMING: 1872800 CPU: 5907.32, 0.00314879/step Wall: 5907.32, 0.00314879/step, 2.73525 hours remaining, 238.941406 MB of memory in use. ENERGY: 1872800 3981.1723 20442.1020 14460.0589 235.2895 -202691.0630 2211.2640 0.0000 0.0000 52274.4760 -109086.7003 300.4221 -161361.1763 -108723.5909 299.4126 18.4010 44.9558 759671.3295 0.7440 0.9378 PRESSURE: 1873000 -58.8245 -115.093 -111.019 -115.092 -368.62 -104.958 -111.018 -104.958 133.493 GPRESSURE: 1873000 -47.9367 -267.738 -146.047 -29.6958 -319.137 -129.714 13.3844 -141.772 172.345 PRESSAVG: 1873000 19.9234 -13.2046 66.2323 -13.2046 -16.6771 -30.6945 66.2323 -30.6945 3.01535 GPRESSAVG: 1873000 20.5861 -12.7393 66.139 -13.822 -18.1216 -31.5776 64.7577 -30.158 3.7523 TIMING: 1873000 CPU: 5907.94, 0.00313955/step Wall: 5907.94, 0.00313956/step, 2.72705 hours remaining, 238.941406 MB of memory in use. ENERGY: 1873000 4042.4322 20462.2837 14410.0108 231.5828 -202899.1391 2264.0323 0.0000 0.0000 52183.2298 -109305.5675 299.8977 -161488.7974 -108943.5217 299.6282 -97.9835 -64.9096 760458.7193 2.0872 2.0723 PRESSURE: 1873200 -62.4874 -139.347 8.59006 -139.346 194.552 43.9387 8.59155 43.9391 -244.17 GPRESSURE: 1873200 77.5818 -108.193 -41.7648 -365.601 97.8649 58.0012 -5.85384 7.35052 -211.136 PRESSAVG: 1873200 -13.9408 -10.0599 -15.1626 -10.06 18.1387 -21.8014 -15.1626 -21.8013 0.539618 GPRESSAVG: 1873200 -13.5499 -9.82104 -15.4304 -10.8608 18.3218 -20.9328 -12.8605 -22.9502 0.718085 TIMING: 1873200 CPU: 5908.57, 0.00312715/step Wall: 5908.57, 0.00312715/step, 2.7161 hours remaining, 238.941406 MB of memory in use. ENERGY: 1873200 4023.1161 20557.4202 14499.5643 241.1298 -203122.9743 2513.8938 0.0000 0.0000 52373.1743 -108914.6759 300.9894 -161287.8502 -108545.2695 299.7721 -37.3683 -11.8963 760350.1595 1.5792 1.8300 PRESSURE: 1873400 28.373 127.608 70.3953 127.608 -78.7783 -37.9018 70.3957 -37.9026 -12.3602 GPRESSURE: 1873400 -2.23025 86.7289 175.116 162.056 -0.00312789 -44.243 25.683 125.27 18.1532 PRESSAVG: 1873400 -5.57548 0.197598 19.3407 0.197618 9.68926 -20.9875 19.3406 -20.9875 15.865 GPRESSAVG: 1873400 -6.79308 0.0446859 18.1405 1.32885 11.5507 -20.8843 17.6856 -19.4373 14.6529 TIMING: 1873400 CPU: 5909.2, 0.00317745/step Wall: 5909.2, 0.00317745/step, 2.75961 hours remaining, 238.941406 MB of memory in use. ENERGY: 1873400 4020.6894 20538.3971 14418.5027 243.9020 -203193.5999 2577.3492 0.0000 0.0000 52320.9967 -109073.7626 300.6895 -161394.7594 -108722.2275 300.1076 -20.9218 5.3066 762115.7254 6.6596 6.4702 PRESSURE: 1873600 78.1203 -17.7146 -25.0777 -17.7144 50.5855 -152.574 -25.0777 -152.573 67.8455 GPRESSURE: 1873600 136.077 -70.3566 21.361 30.0879 27.2873 -223.28 -20.5233 -225.37 127.139 PRESSAVG: 1873600 7.20921 26.0578 21.5599 26.0578 -27.101 -9.74163 21.5599 -9.74163 2.85526 GPRESSAVG: 1873600 6.83276 25.8046 22.2827 25.946 -28.5235 -10.3521 20.8763 -8.66867 4.87071 TIMING: 1873600 CPU: 5909.84, 0.00318541/step Wall: 5909.84, 0.00318541/step, 2.76635 hours remaining, 238.941406 MB of memory in use. ENERGY: 1873600 3958.6873 20512.3184 14488.8685 245.0246 -203307.8949 2754.1862 0.0000 0.0000 52007.2355 -109341.5743 298.8863 -161348.8098 -108981.5804 299.9969 65.5171 96.8346 761762.4973 -5.6789 -5.6067 PRESSURE: 1873800 -317.923 -167.817 49.712 -167.817 -517.936 -84.317 49.7121 -84.3173 -264.05 GPRESSURE: 1873800 -311.27 -174.557 83.2764 -112.195 -458.52 -62.139 122.271 -108.649 -256.816 PRESSAVG: 1873800 1.44972 25.7801 -1.43002 25.78 -2.19817 -9.51457 -1.43001 -9.51451 18.2802 GPRESSAVG: 1873800 2.62394 26.1463 -1.23901 26.6371 -1.84516 -8.69903 -1.02166 -12.6193 16.4321 TIMING: 1873800 CPU: 5910.47, 0.00314703/step Wall: 5910.47, 0.00314703/step, 2.73285 hours remaining, 238.941406 MB of memory in use. ENERGY: 1873800 4049.4188 20659.7111 14424.7396 231.6562 -203420.1075 2634.9773 0.0000 0.0000 52040.4717 -109379.1329 299.0773 -161419.6046 -109016.3994 299.6149 -366.6363 -342.2020 762540.9034 5.8439 5.7370 PRESSURE: 1874000 32.1273 66.6389 43.0138 66.6395 -50.5081 103.072 43.0136 103.073 -185.291 GPRESSURE: 1874000 55.1806 80.8937 61.8353 104.893 -51.0353 66.7366 38.7007 83.5265 -136.611 PRESSAVG: 1874000 6.82688 -24.8669 15.8619 -24.8668 -17.4118 1.16161 15.8618 1.16154 15.5108 GPRESSAVG: 1874000 5.71878 -25.4417 17.0079 -25.1303 -17.4561 2.57231 16.7499 0.219194 16.2989 TIMING: 1874000 CPU: 5911.11, 0.00318/step Wall: 5911.11, 0.00318/step, 2.7613 hours remaining, 238.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1874000 3960.3028 20413.6815 14435.4827 255.1133 -203420.8700 2608.4011 0.0000 0.0000 52159.1241 -109588.7646 299.7592 -161747.8887 -109215.9369 299.0655 -67.8907 -44.1551 763957.6278 1.6420 1.5205 PRESSURE: 1874200 -139.593 -60.5002 273.437 -60.4993 -200.605 253.467 273.437 253.467 74.7227 GPRESSURE: 1874200 -136.732 -20.9417 273.84 -8.7911 -128.665 278.631 85.9389 98.4076 87.7061 PRESSAVG: 1874200 6.83629 -31.4662 -56.4298 -31.4662 -12.377 -0.566329 -56.4298 -0.566358 31.0408 GPRESSAVG: 1874200 8.04184 -31.0784 -58.0746 -30.9267 -12.4454 -3.04797 -57.0143 1.6929 30.0113 TIMING: 1874200 CPU: 5911.75, 0.00320404/step Wall: 5911.75, 0.00320404/step, 2.782 hours remaining, 238.941406 MB of memory in use. ENERGY: 1874200 3914.1885 20669.6330 14464.9403 255.1162 -203568.3166 2621.2472 0.0000 0.0000 52190.1235 -109453.0678 299.9374 -161643.1914 -109094.3816 299.4476 -88.4919 -59.2301 762701.6089 8.5000 8.5359 PRESSURE: 1874400 -103.909 102.568 191.223 102.567 -133.773 -316.486 191.224 -316.486 139.932 GPRESSURE: 1874400 -83.9331 72.9939 149.787 177.159 -66.2829 -282.661 58.7179 -196.249 160.98 PRESSAVG: 1874400 2.15044 -13.7437 -2.07527 -13.7437 -65.2559 -1.46723 -2.07535 -1.46722 20.8767 GPRESSAVG: 1874400 0.634482 -13.7334 -3.10716 -14.7128 -66.3842 -1.68026 1.10095 -2.27099 23.4149 TIMING: 1874400 CPU: 5912.38, 0.00316919/step Wall: 5912.38, 0.00316919/step, 2.75156 hours remaining, 238.941406 MB of memory in use. ENERGY: 1874400 4029.0329 20394.3859 14513.7376 249.7684 -203395.7729 2435.9747 0.0000 0.0000 52133.9744 -109638.8991 299.6147 -161772.8735 -109278.5896 299.3561 -32.5831 3.5881 762184.2961 -14.0763 -14.1116 PRESSURE: 1874600 -143.214 287.841 -207.612 287.84 172.468 -88.3553 -207.612 -88.3551 -337.666 GPRESSURE: 1874600 -79.8182 285.881 -204.392 265.236 67.0773 27.256 -93.8976 -117.947 -218.281 PRESSAVG: 1874600 6.64518 -18.8404 -53.7136 -18.8404 -1.17318 31.5046 -53.7135 31.5045 8.69766 GPRESSAVG: 1874600 6.72784 -18.1081 -52.3994 -19.5916 -1.12138 33.8032 -56.9551 29.4096 7.65559 TIMING: 1874600 CPU: 5913.01, 0.00314675/step Wall: 5913.01, 0.00314675/step, 2.73191 hours remaining, 238.941406 MB of memory in use. ENERGY: 1874600 4115.0541 20461.8277 14474.0207 255.1864 -203642.2850 2669.4743 0.0000 0.0000 52130.7146 -109536.0072 299.5959 -161666.7219 -109170.9642 299.0394 -102.8040 -77.0074 759592.2636 4.7232 4.4207 PRESSURE: 1874800 110.909 -159.92 -177.458 -159.92 203.345 -38.9217 -177.458 -38.9208 -155.605 GPRESSURE: 1874800 89.7298 -47.6601 -210.259 -128.455 139.324 5.01751 -138.865 39.9602 -5.76588 PRESSAVG: 1874800 4.52201 -40.0442 29.575 -40.0443 8.74436 50.1428 29.575 50.1427 13.8805 GPRESSAVG: 1874800 5.79288 -38.5952 29.3003 -39.7861 8.47917 48.7976 31.3643 53.1993 12.6811 TIMING: 1874800 CPU: 5913.65, 0.00321489/step Wall: 5913.65, 0.00321489/step, 2.79088 hours remaining, 238.941406 MB of memory in use. ENERGY: 1874800 3951.4128 20633.3728 14473.9370 260.5217 -203635.8176 2493.9122 0.0000 0.0000 52195.2401 -109627.4211 299.9668 -161822.6612 -109263.1050 299.3475 52.8833 74.4292 760474.1206 9.0490 8.9844 PRESSURE: 1875000 -139.008 -33.2105 16.7881 -33.2099 -352.113 205.179 16.7886 205.179 57.1802 GPRESSURE: 1875000 -162.435 -143.678 59.7817 -37.1606 -229.658 252.747 -53.6967 71.5118 42.2534 PRESSAVG: 1875000 22.9009 -39.9437 23.8639 -39.9437 25.0708 31.8958 23.8639 31.8957 -0.160571 GPRESSAVG: 1875000 22.8575 -41.148 23.6207 -41.1537 24.8725 33.398 21.1099 31.7599 0.350414 TIMING: 1875000 CPU: 5914.28, 0.00314126/step Wall: 5914.28, 0.00314126/step, 2.72679 hours remaining, 238.941406 MB of memory in use. ENERGY: 1875000 3926.4664 20488.1822 14483.2228 241.3454 -203990.7860 2648.1366 0.0000 0.0000 52145.9512 -110057.4813 299.6835 -162203.4325 -109689.4249 298.5592 -144.6469 -116.6132 762268.8578 15.9370 16.0268 PRESSURE: 1875200 -155.785 -61.5649 -117.282 -61.5646 -123.193 188.822 -117.282 188.821 362.674 GPRESSURE: 1875200 -48.7506 -180.261 -136.987 -42.9686 -92.2119 45.9578 -50.5136 110.592 306.91 PRESSAVG: 1875200 6.79072 -25.6396 -1.19029 -25.6395 -13.5487 20.5004 -1.19021 20.5004 12.7749 GPRESSAVG: 1875200 7.00363 -26.1448 -1.81795 -23.6891 -13.548 18.9877 1.47984 20.313 12.6735 TIMING: 1875200 CPU: 5914.92, 0.0031711/step Wall: 5914.92, 0.0031711/step, 2.75252 hours remaining, 238.941406 MB of memory in use. ENERGY: 1875200 4037.8333 20549.2688 14478.9144 233.6026 -204037.5217 2974.0891 0.0000 0.0000 51811.7670 -109952.0463 297.7629 -161763.8134 -109599.4204 298.4216 27.8984 55.3158 760724.0015 2.0056 2.0430 PRESSURE: 1875400 -50.0423 132.442 16.3793 132.442 17.5804 67.5762 16.38 67.5749 -41.6744 GPRESSURE: 1875400 62.5123 137.696 87.3725 227.541 -38.1234 109.842 -54.8318 46.9173 -33.0493 PRESSAVG: 1875400 -39.7771 15.2296 -72.7681 15.2296 3.9942 -49.4772 -72.7681 -49.4772 -0.574252 GPRESSAVG: 1875400 -39.4242 14.5313 -71.9264 15.1232 3.87767 -49.593 -73.1979 -49.4225 -0.910519 TIMING: 1875400 CPU: 5915.55, 0.00318719/step Wall: 5915.55, 0.00318719/step, 2.76631 hours remaining, 238.941406 MB of memory in use. ENERGY: 1875400 3991.3299 20467.5606 14468.5474 228.3247 -203931.4167 2731.0282 0.0000 0.0000 51978.3553 -110066.2706 298.7203 -162044.6260 -109697.1048 298.0136 -24.7121 -2.8868 761812.4010 -12.1191 -12.1523 PRESSURE: 1875600 241.408 22.1286 244.859 22.1274 -116.02 156.998 244.859 156.997 90.2585 GPRESSURE: 1875600 312.739 54.3774 282.282 -30.4731 -98.3083 219.481 208.276 163.076 71.6062 PRESSAVG: 1875600 3.20737 -31.3518 -11.8266 -31.3518 -29.6397 -46.5845 -11.8265 -46.5844 -1.23091 GPRESSAVG: 1875600 1.63196 -28.9855 -10.2705 -30.9089 -28.9171 -46.7731 -14.6008 -46.6538 -0.4199 TIMING: 1875600 CPU: 5916.19, 0.00318854/step Wall: 5916.19, 0.00318854/step, 2.7673 hours remaining, 238.941406 MB of memory in use. ENERGY: 1875600 4037.1434 20561.9453 14517.0773 236.8461 -203944.8466 2803.5333 0.0000 0.0000 51708.9000 -110079.4011 297.1718 -161788.3012 -109724.7918 297.5392 71.8822 95.3456 762627.3781 -9.2211 -9.2350 PRESSURE: 1875800 133.732 -73.0199 -31.645 -73.0198 -271.509 -97.9351 -31.6451 -97.9353 27.1909 GPRESSURE: 1875800 130.224 -31.1095 -11.7282 -62.9235 -188.306 -8.93138 -29.6035 -70.0765 42.6765 PRESSAVG: 1875800 -2.27024 -41.5648 1.74505 -41.5648 10.8858 17.9324 1.74503 17.9324 -6.58086 GPRESSAVG: 1875800 -0.889252 -43.2786 0.0890504 -42.9436 10.5126 19.0084 2.16547 18.0309 -7.45117 TIMING: 1875800 CPU: 5916.84, 0.00322342/step Wall: 5916.84, 0.00322342/step, 2.79739 hours remaining, 238.941406 MB of memory in use. ENERGY: 1875800 4028.1023 20484.7365 14410.4795 236.5519 -203681.6226 2492.0227 0.0000 0.0000 51871.4241 -110158.3056 298.1058 -162029.7298 -109792.9264 297.6352 -36.8620 -5.1351 760424.6731 0.6782 0.7240 PRESSURE: 1876000 -386.941 -65.1647 -330.916 -65.1653 -155.076 362.296 -330.918 362.296 328.132 GPRESSURE: 1876000 -382.882 -59.2403 -353.63 100.747 -36.3575 304.13 -284.263 242.466 305.736 PRESSAVG: 1876000 -29.3945 4.21323 -59.3918 4.21318 59.9862 11.3572 -59.3918 11.3572 3.9373 GPRESSAVG: 1876000 -30.4682 5.46095 -58.0562 5.87158 60.0304 11.5027 -58.6955 8.94179 4.94118 TIMING: 1876000 CPU: 5917.48, 0.0032089/step Wall: 5917.48, 0.0032089/step, 2.78462 hours remaining, 238.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1876000 3993.0719 20489.5418 14439.9398 249.3643 -203902.7324 2944.6183 0.0000 0.0000 51556.3114 -110229.8850 296.2948 -161786.1964 -109873.1049 298.0410 -71.2949 -37.8347 762695.5270 11.5097 11.5011 PRESSURE: 1876200 387.614 -26.1254 93.5079 -26.1258 93.7047 -297.862 93.5078 -297.862 -214.834 GPRESSURE: 1876200 441.941 25.2734 133.166 -127.541 94.6236 -212.406 34.5242 -315.937 -187.273 PRESSAVG: 1876200 34.183 -41.6051 2.63325 -41.6052 8.52509 34.2039 2.63328 34.2039 -6.69473 GPRESSAVG: 1876200 33.5807 -42.6581 3.70117 -41.1232 9.52682 34.0084 1.34769 35.6976 -7.63042 TIMING: 1876200 CPU: 5918.12, 0.0032177/step Wall: 5918.12, 0.0032177/step, 2.79207 hours remaining, 238.941406 MB of memory in use. ENERGY: 1876200 3932.4222 20555.7602 14441.7832 248.5018 -204265.8573 2974.1344 0.0000 0.0000 51785.0288 -110328.2266 297.6093 -162113.2554 -109964.5557 298.0575 88.8282 116.4306 761742.7552 12.0045 11.8257 LDB: ============= START OF LOAD BALANCING ============== 5930.52 LDB: ============== END OF LOAD BALANCING =============== 5930.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5930.52 LDB: ============= START OF LOAD BALANCING ============== 5930.84 LDB: Largest compute 7034 load 0.034667 is 17.7% of average load 0.196013 LDB: Average compute 0.004391 is 2.2% of average load 0.196013 LDB: TIME 5930.85 LOAD: AVG 0.196013 MAX 0.218437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.098 MB LDB: TIME 5930.85 LOAD: AVG 0.196013 MAX 0.218437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.098 MB LDB: TIME 5930.85 LOAD: AVG 0.196013 MAX 0.218437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5930.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5930.86 PRESSURE: 1876400 -160.401 -90.4293 30.3396 -90.4295 -215.678 224.627 30.3392 224.627 -290.363 GPRESSURE: 1876400 -181.72 40.0729 -24.0018 -48.6941 -180.928 264.834 5.61921 224.698 -202.043 PRESSAVG: 1876400 43.1265 -30.5153 9.47043 -30.5153 -8.14423 2.9893 9.47047 2.98929 14.9054 GPRESSAVG: 1876400 43.0273 -29.7001 6.70758 -31.7757 -7.762 3.92414 12.4955 0.691121 15.0107 TIMING: 1876400 CPU: 5918.77, 0.00325459/step Wall: 5918.77, 0.00325459/step, 2.8239 hours remaining, 239.179688 MB of memory in use. ENERGY: 1876400 3982.8017 20470.7190 14406.5591 261.2806 -204013.4114 2606.1277 0.0000 0.0000 52125.3733 -110160.5500 299.5652 -162285.9234 -109795.9328 298.3449 -222.1475 -188.2305 762387.7700 16.6292 16.7587 PRESSURE: 1876600 -22.986 128.322 -42.5476 128.322 408.127 28.5042 -42.5493 28.5051 224.26 GPRESSURE: 1876600 1.08672 102.211 6.55068 173.883 427.18 29.3567 41.3579 -38.0958 273.035 PRESSAVG: 1876600 8.60086 -30.9286 -16.4349 -30.9286 -20.1074 0.123394 -16.4349 0.123334 9.29801 GPRESSAVG: 1876600 7.18596 -32.8806 -15.7287 -29.8854 -19.5936 1.09857 -19.2202 1.77397 10.0679 TIMING: 1876600 CPU: 5919.41, 0.00319561/step Wall: 5919.41, 0.00319561/step, 2.77254 hours remaining, 239.179688 MB of memory in use. ENERGY: 1876600 4004.0014 20491.4631 14435.0428 244.2198 -203818.8282 2876.7413 0.0000 0.0000 51599.8141 -110167.5458 296.5448 -161767.3598 -109814.8361 297.6847 203.1337 233.7672 762437.7415 -0.7362 -0.7799 PRESSURE: 1876800 -229.58 -56.5921 347.862 -56.5907 264.725 -273.161 347.863 -273.16 -76.1287 GPRESSURE: 1876800 -54.2126 -162.82 323.449 -10.7592 214.639 -183.118 305.443 -69.4735 -107.864 PRESSAVG: 1876800 -36.6866 -19.439 -18.7733 -19.439 26.5306 -31.173 -18.7732 -31.173 9.28631 GPRESSAVG: 1876800 -34.1787 -18.8783 -19.7291 -18.8005 25.627 -32.1402 -16.0938 -29.2002 8.0298 TIMING: 1876800 CPU: 5920.05, 0.00316795/step Wall: 5920.05, 0.00316795/step, 2.74838 hours remaining, 239.179688 MB of memory in use. ENERGY: 1876800 3976.4818 20454.8693 14399.8181 225.0263 -203668.4558 2788.2461 0.0000 0.0000 51816.0870 -110007.9271 297.7878 -161824.0141 -109648.8673 297.9050 -13.6612 17.5207 762797.6104 -0.2899 -0.1740 PRESSURE: 1877000 -209.262 76.9011 0.758314 76.9012 -214.854 250.622 0.75739 250.622 -50.3202 GPRESSURE: 1877000 -226.763 119.652 71.6572 16.9498 -158.252 241.823 -54.4855 205.286 -6.06521 PRESSAVG: 1877000 48.1094 12.8089 20.7561 12.8087 24.7926 0.503106 20.7561 0.502986 19.1919 GPRESSAVG: 1877000 47.2861 14.6171 20.8636 10.7534 24.8101 0.28431 19.5175 -1.94155 19.6639 TIMING: 1877000 CPU: 5920.68, 0.00317798/step Wall: 5920.68, 0.00317798/step, 2.75689 hours remaining, 239.179688 MB of memory in use. ENERGY: 1877000 3963.1125 20380.6701 14441.7894 235.8301 -203574.0889 2515.5929 0.0000 0.0000 52067.6868 -109969.4071 299.2337 -162037.0940 -109599.3193 298.4573 -158.1453 -130.3601 761665.0737 30.6980 30.5867 PRESSURE: 1877200 109.859 -23.232 -3.61783 -23.2313 -284.39 -500.648 -3.61833 -500.648 173.745 GPRESSURE: 1877200 95.7183 21.9908 16.0019 -27.2617 -202.326 -538.867 48.9702 -437.8 191.009 PRESSAVG: 1877200 30.2655 -45.1406 -20.8312 -45.1406 -22.4744 -46.1701 -20.8312 -46.1701 9.63991 GPRESSAVG: 1877200 29.8952 -45.4494 -19.9002 -45.1627 -21.7634 -47.03 -20.4434 -43.6621 9.42654 TIMING: 1877200 CPU: 5921.31, 0.00315838/step Wall: 5921.31, 0.00315838/step, 2.73972 hours remaining, 239.179688 MB of memory in use. ENERGY: 1877200 4108.0757 20455.6831 14398.3600 228.4129 -203824.5646 2719.0530 0.0000 0.0000 51878.9532 -110036.0267 298.1491 -161914.9799 -109676.5160 298.5292 -0.2620 28.1338 761594.9399 5.8103 5.8528 PRESSURE: 1877400 170.447 145.163 -110.358 145.163 -271.898 -28.0926 -110.358 -28.0925 -173.131 GPRESSURE: 1877400 161.153 91.8845 -32.5357 155.991 -210.187 -50.2473 -122.046 -92.8215 -131.2 PRESSAVG: 1877400 -32.4394 33.9648 -46.0916 33.9648 -18.6101 -79.9571 -46.0916 -79.9571 7.52536 GPRESSAVG: 1877400 -34.2327 32.2903 -46.2463 35.8387 -17.8929 -79.5278 -46.5148 -80.8213 8.28105 TIMING: 1877400 CPU: 5921.95, 0.00317155/step Wall: 5921.95, 0.00317155/step, 2.75097 hours remaining, 239.179688 MB of memory in use. ENERGY: 1877400 3965.4454 20619.8698 14443.0910 241.5083 -203464.0102 2581.9816 0.0000 0.0000 51818.1868 -109793.9272 297.7998 -161612.1140 -109433.3244 298.5473 -91.5274 -60.0780 764259.0625 -14.5080 -14.6149 PRESSURE: 1877600 -25.3261 -31.7066 42.161 -31.7064 -149.722 -93.2931 42.1615 -93.2935 -113.965 GPRESSURE: 1877600 0.151913 -3.34341 55.5612 -42.9308 -111.187 20.6704 -65.9705 -77.9229 -67.5876 PRESSAVG: 1877600 7.60707 -0.0777714 -69.5815 -0.0778032 -3.03776 8.50768 -69.5815 8.50766 -0.726847 GPRESSAVG: 1877600 8.93626 0.241691 -69.9968 -2.0515 -3.61261 9.54194 -70.2755 8.56716 -1.01493 TIMING: 1877600 CPU: 5922.58, 0.00318727/step Wall: 5922.58, 0.00318727/step, 2.76442 hours remaining, 239.179688 MB of memory in use. ENERGY: 1877600 3985.7909 20455.8080 14396.4236 254.9104 -203532.0740 2647.8380 0.0000 0.0000 51883.1454 -109908.1577 298.1731 -161791.3032 -109549.3627 298.3782 -96.3377 -59.5410 763283.7366 1.2808 1.4362 PRESSURE: 1877800 78.8404 -31.7431 -81.8987 -31.7433 -45.2633 -46.3939 -81.899 -46.3947 -141.646 GPRESSURE: 1877800 67.7263 -108.842 -2.58658 122.619 -20.7678 -51.7576 -75.5674 -41.8492 -75.8934 PRESSAVG: 1877800 7.00768 5.8459 -23.3434 5.84589 -23.8453 -33.9636 -23.3434 -33.9635 -3.89862 GPRESSAVG: 1877800 7.50037 5.12704 -24.3015 9.64385 -24.8293 -35.3306 -22.5822 -31.7537 -3.33686 TIMING: 1877800 CPU: 5923.22, 0.00318425/step Wall: 5923.22, 0.00318425/step, 2.76163 hours remaining, 239.179688 MB of memory in use. ENERGY: 1877800 4021.4194 20496.2984 14424.5494 246.2582 -203776.2012 2724.1506 0.0000 0.0000 51964.8772 -109898.6481 298.6429 -161863.5253 -109534.8652 298.0861 -36.0231 -9.6450 760925.9312 -6.9121 -6.8886 PRESSURE: 1878000 125.463 129.146 18.088 129.146 -120.528 183.519 18.0891 183.518 17.2826 GPRESSURE: 1878000 36.34 128.521 -58.9428 78.1964 -10.5278 118.799 62.4127 69.1487 67.3841 PRESSAVG: 1878000 16.2018 9.09909 -45.7519 9.09908 -6.67456 -4.93417 -45.752 -4.93416 8.84711 GPRESSAVG: 1878000 15.9987 10.8049 -45.6487 6.58276 -5.83176 -5.39138 -47.3296 -5.75773 7.62094 TIMING: 1878000 CPU: 5923.85, 0.00316084/step Wall: 5923.85, 0.00316084/step, 2.74115 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1878000 3942.3212 20550.7742 14332.2896 240.0887 -203641.1780 2656.0591 0.0000 0.0000 51940.1417 -109979.5035 298.5007 -161919.6452 -109621.5600 298.4223 7.4060 31.0654 760463.1851 6.1248 5.9293 PRESSURE: 1878200 63.183 106.141 -205.309 106.141 77.4649 -45.9826 -205.308 -45.983 65.5719 GPRESSURE: 1878200 187.74 85.899 -171.364 108.027 52.3206 -56.8646 -177.659 -17.3545 55.3262 PRESSAVG: 1878200 66.8273 46.2987 30.9539 46.2987 -79.1493 16.2902 30.9539 16.2901 8.32718 GPRESSAVG: 1878200 67.7248 44.8486 32.062 44.5628 -81.0142 17.5514 31.4432 15.6849 8.85516 TIMING: 1878200 CPU: 5924.49, 0.00318978/step Wall: 5924.49, 0.00318978/step, 2.76607 hours remaining, 239.179688 MB of memory in use. ENERGY: 1878200 4000.4929 20491.6277 14432.1261 246.4546 -203915.3057 2802.1816 0.0000 0.0000 52262.6020 -109679.8207 300.3539 -161942.4228 -109313.8034 298.4914 68.7399 98.4623 761150.5173 -1.3316 -1.4781 PRESSURE: 1878400 -140.093 129.596 202.482 129.596 0.204056 6.61887 202.482 6.61799 -228.083 GPRESSURE: 1878400 -28.9209 145.767 166.803 65.9361 -30.4187 34.0673 207.855 128.655 -212.129 PRESSAVG: 1878400 -31.1549 11.5036 -52.986 11.5037 5.27491 71.0817 -52.986 71.0818 2.26126 GPRESSAVG: 1878400 -31.6956 11.7603 -54.5868 13.3185 6.87738 70.4035 -52.0494 70.0941 1.01838 TIMING: 1878400 CPU: 5925.13, 0.00317787/step Wall: 5925.13, 0.00317787/step, 2.75556 hours remaining, 239.179688 MB of memory in use. ENERGY: 1878400 3967.8310 20481.6214 14451.9795 252.5713 -203552.3696 2747.2391 0.0000 0.0000 52121.0593 -109530.0678 299.5404 -161651.1272 -109160.5971 299.5245 -122.6571 -90.4894 762604.7195 -7.8729 -7.9333 PRESSURE: 1878600 2.8801 -164.812 66.643 -164.812 86.1985 -42.6972 66.6437 -42.6972 -305.861 GPRESSURE: 1878600 -37.6012 -133.101 73.1462 -153.303 106.363 -115.298 44.9429 -42.8679 -200.31 PRESSAVG: 1878600 -43.0482 15.0941 -35.646 15.094 39.264 6.63858 -35.646 6.63861 -19.9262 GPRESSAVG: 1878600 -42.0449 15.7057 -35.2884 15.8102 38.0175 7.09116 -35.1311 6.92796 -18.6885 TIMING: 1878600 CPU: 5925.76, 0.00316727/step Wall: 5925.76, 0.00316727/step, 2.7462 hours remaining, 239.179688 MB of memory in use. ENERGY: 1878600 4013.7312 20538.8089 14439.5090 243.9748 -203604.0943 2859.0076 0.0000 0.0000 52087.6180 -109421.4448 299.3483 -161509.0628 -109060.7409 299.7009 -72.2606 -43.8493 762820.6764 -7.9035 -7.5719 PRESSURE: 1878800 -36.4089 -49.9654 262.199 -49.9644 -629.122 112.042 262.198 112.043 -355.332 GPRESSURE: 1878800 -44.6514 -8.874 275.869 -58.4697 -510.449 92.1896 276.937 108.938 -367.92 PRESSAVG: 1878800 -54.9274 -18.8583 -21.6233 -18.8583 9.481 -13.1301 -21.6234 -13.1301 -23.9697 GPRESSAVG: 1878800 -56.5596 -18.2901 -19.5034 -20.2859 10.8154 -11.4864 -22.6182 -12.7121 -23.6939 TIMING: 1878800 CPU: 5926.39, 0.00316664/step Wall: 5926.39, 0.00316664/step, 2.74547 hours remaining, 239.179688 MB of memory in use. ENERGY: 1878800 3986.5419 20472.9445 14512.3552 234.2937 -203519.6030 2722.7043 0.0000 0.0000 52200.5410 -109390.2224 299.9972 -161590.7633 -109022.1730 299.4214 -340.2877 -307.6733 764385.4494 -23.1387 -23.1460 PRESSURE: 1879000 -195.838 89.4004 -78.2548 89.4019 -134.104 40.4225 -78.2558 40.4216 -33.6365 GPRESSURE: 1879000 -133.227 -10.5342 -116.6 27.4339 -125.689 92.321 73.6184 -1.08772 -18.5901 PRESSAVG: 1879000 -2.71387 46.3673 -11.433 46.3674 9.51883 -10.0176 -11.433 -10.0176 -9.27394 GPRESSAVG: 1879000 -1.33506 44.5352 -11.4644 46.7998 8.56155 -10.4164 -10.8711 -11.3892 -9.83798 TIMING: 1879000 CPU: 5927.02, 0.00314677/step Wall: 5927.02, 0.00314677/step, 2.72807 hours remaining, 239.179688 MB of memory in use. ENERGY: 1879000 3994.7273 20516.4212 14512.4402 268.2188 -203639.0083 2800.6752 0.0000 0.0000 51990.2461 -109556.2794 298.7887 -161546.5255 -109198.4196 299.5730 -121.1927 -92.5019 763683.0040 -0.8230 -0.8705 PRESSURE: 1879200 206.989 191.675 -82.4621 191.676 -12.6355 153.235 -82.4625 153.234 -113.773 GPRESSURE: 1879200 255.209 140.949 -96.752 128.799 -11.7663 130.031 -2.2714 111.377 -69.2187 PRESSAVG: 1879200 1.00481 7.96982 19.0639 7.96983 -10.8092 7.90646 19.0639 7.90636 -21.5818 GPRESSAVG: 1879200 1.05495 7.85582 18.3357 7.28578 -10.8565 7.38109 20.7127 8.04824 -21.0047 TIMING: 1879200 CPU: 5927.66, 0.00317994/step Wall: 5927.66, 0.00317994/step, 2.75666 hours remaining, 239.179688 MB of memory in use. ENERGY: 1879200 3980.5809 20427.4136 14458.4401 244.5361 -203730.5902 3027.0648 0.0000 0.0000 51971.6173 -109620.9373 298.6816 -161592.5546 -109259.4017 299.1959 26.8600 58.0746 762525.0572 -10.4621 -10.2688 PRESSURE: 1879400 190.949 -55.8939 300.78 -55.8941 10.3121 31.5242 300.78 31.5239 155.037 GPRESSURE: 1879400 225.64 18.3273 314.403 -66.5786 52.3502 107.453 241.387 51.3877 174.939 PRESSAVG: 1879400 23.1803 13.2275 21.5507 13.2274 -28.503 6.30522 21.5507 6.3052 38.131 GPRESSAVG: 1879400 22.7963 14.0851 18.4994 13.0884 -28.5943 5.2378 19.9473 4.15533 38.3278 TIMING: 1879400 CPU: 5928.3, 0.00321516/step Wall: 5928.3, 0.00321516/step, 2.78701 hours remaining, 239.179688 MB of memory in use. ENERGY: 1879400 3916.1843 20445.4540 14496.2641 262.7154 -203592.6339 2775.1778 0.0000 0.0000 52271.9727 -109424.8656 300.4077 -161696.8383 -109067.1616 299.3758 118.7658 150.9765 762022.9588 10.9361 10.8433 PRESSURE: 1879600 42.6005 -13.6737 -200.754 -13.6742 -32.8819 36.9942 -200.754 36.9941 141.139 GPRESSURE: 1879600 115.961 -71.7191 -189.653 -47.6573 -2.24255 -23.6008 -112.901 35.0898 130.265 PRESSAVG: 1879600 -13.9444 -33.7562 22.927 -33.7562 -16.7694 43.9723 22.927 43.9723 19.6434 GPRESSAVG: 1879600 -13.763 -33.1136 24.2574 -34.2207 -16.0037 43.2959 25.1124 44.619 19.0467 TIMING: 1879600 CPU: 5928.95, 0.00321636/step Wall: 5928.95, 0.00321636/step, 2.78787 hours remaining, 239.179688 MB of memory in use. ENERGY: 1879600 3937.1604 20535.4375 14541.5925 253.2273 -203289.8694 2833.2775 0.0000 0.0000 51828.5218 -109360.6523 297.8592 -161189.1741 -109008.5859 298.8787 50.2859 81.3278 764315.8957 -3.6901 -3.5733 PRESSURE: 1879800 37.7155 -30.3476 -52.6316 -30.3469 -50.7126 32.472 -52.6323 32.4725 -508.866 GPRESSURE: 1879800 77.0572 1.84295 -93.7941 38.3455 -102.68 49.8773 -137.023 6.25622 -415.742 PRESSAVG: 1879800 19.294 64.3319 -37.0346 64.3319 -63.9423 -9.94693 -37.0346 -9.94701 10.4295 GPRESSAVG: 1879800 19.7481 64.7688 -35.4759 65.402 -64.3552 -6.46734 -38.3686 -10.0569 10.3154 TIMING: 1879800 CPU: 5929.59, 0.00322346/step Wall: 5929.59, 0.00322346/step, 2.79384 hours remaining, 239.179688 MB of memory in use. ENERGY: 1879800 3934.4297 20548.9141 14510.0813 255.9070 -203530.7743 2795.5243 0.0000 0.0000 52170.5483 -109315.3695 299.8249 -161485.9178 -108942.4644 299.1079 -173.9545 -147.1218 763982.1111 -11.4063 -11.4306 PRESSURE: 1880000 77.7195 -55.0179 -214.151 -55.0185 252.635 -94.4589 -214.151 -94.4596 36.5981 GPRESSURE: 1880000 50.0092 -44.0729 -145.73 17.1606 325.012 -55.9493 -157.021 -103.619 54.782 PRESSAVG: 1880000 23.6917 13.602 -19.1249 13.6019 -8.67159 31.9692 -19.1249 31.9692 -20.136 GPRESSAVG: 1880000 22.3403 13.7424 -17.9689 13.6827 -7.88984 30.2777 -20.2139 32.6799 -18.9816 TIMING: 1880000 CPU: 5930.24, 0.00324145/step Wall: 5930.24, 0.00324145/step, 2.80926 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1880000 3904.3402 20627.8926 14502.6100 245.8268 -203489.0899 2678.0455 0.0000 0.0000 52007.8036 -109522.5712 298.8896 -161530.3748 -109163.2428 299.2945 122.3176 143.2676 762312.5514 -1.7053 -1.5104 PRESSURE: 1880200 -98.5848 157.7 89.8774 157.7 -61.2031 -42.4196 89.8781 -42.4187 -198.212 GPRESSURE: 1880200 -132.526 224.505 111.468 163.788 38.4582 -48.1327 16.0064 -16.0054 -184.841 PRESSAVG: 1880200 29.036 0.608293 -26.962 0.608268 42.6064 21.5744 -26.9619 21.5744 -2.33493 GPRESSAVG: 1880200 29.3554 1.59852 -28.2187 -0.767266 43.488 21.669 -26.3033 22.7952 -3.60787 TIMING: 1880200 CPU: 5930.87, 0.00317505/step Wall: 5930.87, 0.00317505/step, 2.75154 hours remaining, 239.179688 MB of memory in use. ENERGY: 1880200 4063.5855 20359.8360 14514.3568 271.0878 -203473.3494 2633.3370 0.0000 0.0000 52039.1749 -109591.9713 299.0699 -161631.1463 -109236.0024 298.9695 -119.3334 -92.9696 760257.0029 23.1025 23.0785 LDB: ============= START OF LOAD BALANCING ============== 5943.27 LDB: ============== END OF LOAD BALANCING =============== 5943.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5943.28 LDB: ============= START OF LOAD BALANCING ============== 5943.59 LDB: Largest compute 7034 load 0.035001 is 17.9% of average load 0.195915 LDB: Average compute 0.004382 is 2.2% of average load 0.195915 LDB: TIME 5943.6 LOAD: AVG 0.195915 MAX 0.216551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 5943.6 LOAD: AVG 0.195915 MAX 0.216551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: TIME 5943.6 LOAD: AVG 0.195915 MAX 0.216551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: ============== END OF LOAD BALANCING =============== 5943.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5943.6 PRESSURE: 1880400 -183.613 109.121 107.991 109.122 262.404 67.8075 107.991 67.8078 -209.748 GPRESSURE: 1880400 -84.0625 99.7671 111.678 55.8704 222.398 115.921 184.493 60.4137 -196.861 PRESSAVG: 1880400 -72.1802 34.6232 -31.1658 34.6232 60.0426 7.53208 -31.1658 7.53207 -18.7217 GPRESSAVG: 1880400 -70.0022 32.3258 -30.4348 34.9779 57.5313 7.01947 -31.1417 7.59827 -18.3013 TIMING: 1880400 CPU: 5931.52, 0.00323464/step Wall: 5931.52, 0.00323464/step, 2.803 hours remaining, 238.148438 MB of memory in use. ENERGY: 1880400 4060.3284 20512.5541 14475.9860 256.2884 -203202.8307 2549.3126 0.0000 0.0000 51936.3177 -109412.0435 298.4787 -161348.3611 -109066.7513 298.6965 -43.6524 -19.5087 763551.1598 -10.2865 -10.2574 PRESSURE: 1880600 321.043 -133.654 172.631 -133.654 243.048 -12.321 172.631 -12.3213 270.852 GPRESSURE: 1880600 349.466 -39.558 73.2479 -102.633 306.307 -8.36163 145.589 50.9932 257.837 PRESSAVG: 1880600 -78.3117 -15.7838 -27.9144 -15.7838 50.3371 -7.41565 -27.9144 -7.41563 -20.3886 GPRESSAVG: 1880600 -80.0909 -15.0733 -29.4156 -14.718 51.5426 -7.70016 -25.7609 -6.15637 -19.4669 TIMING: 1880600 CPU: 5932.15, 0.00316723/step Wall: 5932.15, 0.00316723/step, 2.74441 hours remaining, 238.148438 MB of memory in use. ENERGY: 1880600 3935.1768 20609.4693 14571.5020 236.2641 -203342.7998 2575.2324 0.0000 0.0000 52087.0035 -109328.1518 299.3447 -161415.1553 -108968.2941 299.4252 278.3140 304.5366 761703.9467 -16.1211 -16.0051 PRESSURE: 1880800 -114.226 162.479 -39.385 162.479 -380.167 -141.29 -39.3849 -141.289 -10.7781 GPRESSURE: 1880800 -76.8063 58.8651 -15.6697 145.986 -368.962 -230.537 -8.11135 -9.55228 9.90015 PRESSAVG: 1880800 -33.1948 16.7579 -19.7845 16.7579 20.5123 -16.4981 -19.7844 -16.4981 11.3979 GPRESSAVG: 1880800 -32.0109 17.053 -18.6539 16.7731 19.2846 -16.4351 -21.7528 -15.8072 11.0402 TIMING: 1880800 CPU: 5932.79, 0.00318642/step Wall: 5932.79, 0.00318642/step, 2.76086 hours remaining, 238.148438 MB of memory in use. ENERGY: 1880800 4098.8809 20401.7458 14512.0595 254.0448 -203532.5048 2837.4174 0.0000 0.0000 52112.0471 -109316.3094 299.4887 -161428.3565 -108947.2942 299.9700 -168.3903 -145.2894 760992.4854 -0.4282 -0.5620 PRESSURE: 1881000 243.859 -187.581 162.294 -187.581 2.3646 -154.984 162.295 -154.984 93.9219 GPRESSURE: 1881000 293.633 -169.953 176.756 -168.823 40.3756 -147.072 292.46 -239.497 94.746 PRESSAVG: 1881000 27.0593 -12.586 -17.0829 -12.586 42.4709 -53.8101 -17.0828 -53.8101 -17.0302 GPRESSAVG: 1881000 25.8176 -13.9604 -18.6238 -12.98 43.5598 -52.9873 -15.2212 -55.5367 -16.5285 TIMING: 1881000 CPU: 5933.43, 0.00320893/step Wall: 5933.43, 0.00320893/step, 2.78018 hours remaining, 238.148438 MB of memory in use. ENERGY: 1881000 4037.8459 20555.8399 14496.9992 241.7726 -203426.0805 2741.6635 0.0000 0.0000 52153.5733 -109198.3861 299.7273 -161351.9594 -108853.0516 299.9823 113.3819 142.9183 761396.7754 17.5000 17.6163 PRESSURE: 1881200 -415.008 -7.97028 186.97 -7.97037 -291.463 -47.5975 186.969 -47.5986 -639.752 GPRESSURE: 1881200 -349.409 -153.16 178.887 -0.9657 -344.32 -1.5909 122.296 -0.747175 -567.691 PRESSAVG: 1881200 23.2917 -6.72478 1.06021 -6.72479 52.7918 -27.9776 1.06022 -27.9777 5.70694 GPRESSAVG: 1881200 23.3653 -5.05173 1.46469 -7.27828 53.059 -27.9739 0.764455 -28.4871 5.50881 TIMING: 1881200 CPU: 5934.07, 0.00319096/step Wall: 5934.07, 0.00319096/step, 2.76443 hours remaining, 238.148438 MB of memory in use. ENERGY: 1881200 4031.9104 20660.0784 14534.7661 257.7918 -202927.4558 2283.5726 0.0000 0.0000 51863.7675 -109295.5690 298.0618 -161159.3365 -108940.3678 299.5521 -448.7410 -420.4733 761655.3878 27.2635 27.3110 PRESSURE: 1881400 -268.839 -226.139 36.3303 -226.138 -141.237 -89.5465 36.3303 -89.5472 -256.904 GPRESSURE: 1881400 -173.035 -143.818 -67.0785 -220.537 -145.258 -89.5789 24.5454 -132.633 -252.043 PRESSAVG: 1881400 -10.9918 6.3393 -19.9907 6.33933 36.6819 2.55953 -19.9906 2.55948 -13.3427 GPRESSAVG: 1881400 -10.31 5.6715 -18.6214 7.22231 36.1017 2.29229 -21.5148 4.05889 -13.7243 TIMING: 1881400 CPU: 5934.71, 0.0031771/step Wall: 5934.71, 0.0031771/step, 2.75225 hours remaining, 238.148438 MB of memory in use. ENERGY: 1881400 4028.2916 20410.9992 14437.2666 249.2166 -202888.3399 2380.7750 0.0000 0.0000 52178.7814 -109203.0095 299.8722 -161381.7909 -108849.3111 299.2645 -222.3267 -190.1119 761966.0145 4.1158 4.0225 PRESSURE: 1881600 64.8081 156.746 25.2367 156.748 -154.35 -33.9693 25.2367 -33.9705 -121.647 GPRESSURE: 1881600 87.9852 66.9526 -20.2735 80.4769 -70.3416 -50.6612 5.69407 1.4786 -147.178 PRESSAVG: 1881600 3.3492 23.9564 -3.69145 23.9565 11.2164 -30.1215 -3.69148 -30.1216 14.0655 GPRESSAVG: 1881600 1.69963 26.1633 -3.12187 23.583 11.7999 -31.2172 -3.60214 -30.1936 15.4533 TIMING: 1881600 CPU: 5935.34, 0.00315837/step Wall: 5935.34, 0.00315837/step, 2.73585 hours remaining, 238.148438 MB of memory in use. ENERGY: 1881600 3898.1817 20483.8105 14507.6549 228.3478 -203816.7784 2942.4041 0.0000 0.0000 52228.7991 -109527.5805 300.1596 -161756.3796 -109158.2112 299.3998 -70.3962 -43.1780 761403.1659 9.5437 9.6509 PRESSURE: 1881800 -46.7538 -66.4714 214.872 -66.4702 -393.135 7.26791 214.871 7.26848 -263.759 GPRESSURE: 1881800 0.128818 -119.908 200.05 -25.9687 -324.701 -73.8487 183.439 -56.1864 -303.272 PRESSAVG: 1881800 47.0029 41.4925 -25.9298 41.4925 -14.8073 -27.4076 -25.9298 -27.4076 -10.4683 GPRESSAVG: 1881800 48.0316 39.2277 -28.1831 41.0224 -15.2933 -26.8969 -22.8905 -27.3862 -10.8726 TIMING: 1881800 CPU: 5935.97, 0.003149/step Wall: 5935.97, 0.003149/step, 2.72755 hours remaining, 238.148438 MB of memory in use. ENERGY: 1881800 3979.2419 20347.8556 14473.4109 244.0871 -202993.1893 2504.1825 0.0000 0.0000 52103.3932 -109341.0180 299.4389 -161444.4113 -108965.8054 299.2042 -234.5495 -209.2813 761018.5017 7.2425 7.2886 PRESSURE: 1882000 7.20717 -100.322 17.3184 -100.322 11.1384 19.4452 17.3185 19.4451 -267.392 GPRESSURE: 1882000 60.84 -176.071 14.4591 -66.6401 29.4768 32.3575 -96.0835 -69.4194 -265.458 PRESSAVG: 1882000 -8.25349 -27.3472 -11.8637 -27.3472 -42.0941 12.0066 -11.8636 12.0066 6.26569 GPRESSAVG: 1882000 -7.71467 -26.7059 -9.95084 -28.0045 -43.068 12.8304 -12.8238 10.7682 6.55549 TIMING: 1882000 CPU: 5936.6, 0.00314005/step Wall: 5936.6, 0.00314006/step, 2.71964 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1882000 3995.1963 20606.3866 14534.9105 238.3978 -203251.1553 2710.8875 0.0000 0.0000 51849.7837 -109315.5931 297.9814 -161165.3767 -108959.5727 298.8604 -83.0155 -58.3805 762145.0286 -14.6940 -14.7424 PRESSURE: 1882200 19.2601 -31.5539 143.093 -31.5541 -55.9568 83.3611 143.092 83.362 -64.5506 GPRESSURE: 1882200 -29.2345 17.5372 127.138 -51.5781 15.5622 23.9998 101.984 -16.2433 -2.24257 PRESSAVG: 1882200 63.031 -49.2533 6.06263 -49.2533 -62.7528 36.2348 6.06254 36.2348 -6.54886 GPRESSAVG: 1882200 63.5175 -50.0021 5.695 -50.1991 -61.3923 35.628 5.70683 35.3629 -7.78008 TIMING: 1882200 CPU: 5937.22, 0.0031451/step Wall: 5937.22, 0.0031451/step, 2.72383 hours remaining, 238.148438 MB of memory in use. ENERGY: 1882200 3971.2545 20476.3147 14496.9396 252.6886 -203351.9077 2674.3119 0.0000 0.0000 52209.6238 -109270.7746 300.0494 -161480.3985 -108896.2077 299.0924 -33.7491 -5.3050 761655.9874 -2.0902 -1.8850 PRESSURE: 1882400 -110.239 13.0091 27.9 13.0099 -408.006 50.6834 27.8992 50.6835 -91.7499 GPRESSURE: 1882400 -84.716 -35.3373 36.2962 5.97403 -286.285 -81.871 -56.8157 -63.7278 -141.267 PRESSAVG: 1882400 29.2696 -16.5917 68.4982 -16.5917 -8.16959 -60.2655 68.4983 -60.2655 2.71503 GPRESSAVG: 1882400 27.3658 -17.6154 69.2822 -15.0284 -7.42427 -61.2631 67.0251 -61.0861 4.00363 TIMING: 1882400 CPU: 5937.85, 0.00313032/step Wall: 5937.85, 0.00313032/step, 2.71086 hours remaining, 238.148438 MB of memory in use. ENERGY: 1882400 4006.1190 20631.0634 14517.8030 235.0117 -203113.9502 2438.7225 0.0000 0.0000 51862.5461 -109422.6846 298.0548 -161285.2307 -109072.9638 299.3814 -203.3316 -170.7563 760563.8204 7.9383 7.9817 PRESSURE: 1882600 -492.726 -155.121 -60.1962 -155.121 136.008 -62.0997 -60.1963 -62.0996 -560.6 GPRESSURE: 1882600 -399.964 -104.83 -148.012 -181.635 135.967 -42.2495 -102.724 59.2626 -561.103 PRESSAVG: 1882600 -46.9618 48.3794 1.19927 48.3794 43.2831 -28.4181 1.19919 -28.4181 3.87385 GPRESSAVG: 1882600 -45.3179 48.475 -0.791241 46.2903 42.1332 -27.5333 2.01483 -25.5836 3.03576 TIMING: 1882600 CPU: 5938.48, 0.00314873/step Wall: 5938.48, 0.00314873/step, 2.72663 hours remaining, 238.148438 MB of memory in use. ENERGY: 1882600 3948.8808 20527.9956 14488.4060 244.0087 -203222.8244 2554.8988 0.0000 0.0000 51869.8163 -109588.8181 298.0965 -161458.6344 -109222.2920 299.1574 -305.7728 -275.0334 760717.9496 0.0651 -0.0496 PRESSURE: 1882800 59.1009 104.467 -50.9241 104.466 -255.411 31.3728 -50.9242 31.3732 -70.1209 GPRESSURE: 1882800 33.8652 103.395 -23.6529 113.466 -149.219 88.1817 -53.1635 12.8423 -81.5224 PRESSAVG: 1882800 35.6157 -22.3484 38.3966 -22.3484 -20.2316 -11.5923 38.3965 -11.5923 -29.5477 GPRESSAVG: 1882800 35.2273 -23.3835 39.6652 -20.3215 -19.9751 -11.5565 38.2953 -13.0996 -29.5367 TIMING: 1882800 CPU: 5939.11, 0.00314634/step Wall: 5939.11, 0.00314634/step, 2.72438 hours remaining, 238.148438 MB of memory in use. ENERGY: 1882800 3956.8935 20507.3762 14477.5086 249.2835 -203393.2974 2694.5769 0.0000 0.0000 51891.2652 -109616.3933 298.2198 -161507.6586 -109251.9306 298.5041 -88.8102 -65.6254 761086.8527 -4.7212 -4.7615 PRESSURE: 1883000 -318.034 85.7564 17.9114 85.7566 203.753 82.0953 17.9123 82.096 152.281 GPRESSURE: 1883000 -249.602 172.557 -51.5353 99.6128 178.565 122.286 -18.67 162.857 200.42 PRESSAVG: 1883000 26.4401 -0.00635709 -37.7005 -0.00637106 39.2275 12.1897 -37.7005 12.1897 -38.8649 GPRESSAVG: 1883000 26.4586 -1.03893 -38.7567 0.173655 38.6708 12.6988 -38.5918 14.018 -38.1552 TIMING: 1883000 CPU: 5939.74, 0.00314825/step Wall: 5939.74, 0.00314825/step, 2.72586 hours remaining, 238.148438 MB of memory in use. ENERGY: 1883000 4019.6883 20772.8338 14548.6719 229.1035 -203326.3012 2531.4482 0.0000 0.0000 51974.6270 -109249.9285 298.6989 -161224.5556 -108899.6564 299.0772 12.6668 43.1277 761184.1159 8.9342 8.9914 PRESSURE: 1883200 126.434 147.348 158.564 147.348 -72.0561 -156.544 158.564 -156.545 178.121 GPRESSURE: 1883200 152.371 314.379 76.6234 132.658 72.1961 -85.7414 178.838 -176.92 101.894 PRESSAVG: 1883200 18.1855 36.6307 1.24573 36.6307 -17.5046 -25.8447 1.24577 -25.8446 2.06473 GPRESSAVG: 1883200 17.7794 38.974 2.53219 34.7158 -16.9455 -26.2884 2.19723 -26.7229 2.24678 TIMING: 1883200 CPU: 5940.37, 0.00315757/step Wall: 5940.37, 0.00315757/step, 2.73375 hours remaining, 238.148438 MB of memory in use. ENERGY: 1883200 4036.9579 20684.8057 14531.5386 246.6935 -203404.0852 2551.1143 0.0000 0.0000 52135.0746 -109217.9007 299.6210 -161352.9753 -108872.3381 299.9124 77.4995 108.8202 761509.6649 0.9152 1.0269 PRESSURE: 1883400 -205.171 -0.63873 -143.203 -0.638925 71.5832 111.734 -143.202 111.733 -9.09324 GPRESSURE: 1883400 -165.866 -38.0159 1.59115 -4.16479 67.9609 3.58535 -93.8244 189.994 37.6535 PRESSAVG: 1883400 41.682 11.561 -4.18319 11.561 -37.0353 -61.1372 -4.18321 -61.1372 -8.96909 GPRESSAVG: 1883400 42.1118 11.0088 -5.09824 12.3883 -36.4268 -61.5096 -1.98036 -61.7651 -9.94109 TIMING: 1883400 CPU: 5941, 0.00314479/step Wall: 5941, 0.00314479/step, 2.72251 hours remaining, 238.148438 MB of memory in use. ENERGY: 1883400 4030.6611 20561.4188 14507.6186 227.7237 -203131.6868 2318.4942 0.0000 0.0000 52160.1305 -109325.6400 299.7650 -161485.7705 -108962.4617 299.2705 -47.5604 -20.0839 760788.4692 -1.4408 -1.4187 PRESSURE: 1883600 -490.063 -115.306 -147.84 -115.306 -175.861 -150.561 -147.84 -150.562 -250.282 GPRESSURE: 1883600 -358.348 -138.113 -169.049 -0.710785 -180.556 -110.21 -206.18 -122.113 -317.277 PRESSAVG: 1883600 6.7431 16.8652 -12.0224 16.8652 -0.95613 -21.8991 -12.0224 -21.8991 -2.80518 GPRESSAVG: 1883600 6.8223 17.8377 -9.87747 16.0077 -1.47259 -20.9118 -16.5522 -21.0591 -2.51953 TIMING: 1883600 CPU: 5941.63, 0.00314417/step Wall: 5941.63, 0.00314417/step, 2.7218 hours remaining, 238.148438 MB of memory in use. ENERGY: 1883600 4004.7837 20345.6114 14511.5634 252.9373 -203032.8363 2462.3727 0.0000 0.0000 52039.9351 -109415.6327 299.0742 -161455.5678 -109044.8420 300.1344 -305.4020 -285.3936 763035.1796 0.9939 0.9434 PRESSURE: 1883800 194.57 -64.1163 -66.1483 -64.1154 332.325 161.501 -66.1485 161.501 19.0941 GPRESSURE: 1883800 228.874 -119.172 -140.158 -55.1647 333.732 210.179 71.5866 61.865 81.8192 PRESSAVG: 1883800 -20.2573 -12.7193 -36.8385 -12.7192 54.4337 52.2593 -36.8385 52.2593 -6.01111 GPRESSAVG: 1883800 -20.699 -12.6482 -38.9174 -13.1118 54.7484 52.7047 -33.37 50.8752 -5.38867 TIMING: 1883800 CPU: 5942.26, 0.00313158/step Wall: 5942.26, 0.00313158/step, 2.71073 hours remaining, 238.148438 MB of memory in use. ENERGY: 1883800 3996.7936 20424.7816 14467.0401 252.5889 -203574.6272 3091.0052 0.0000 0.0000 52046.9911 -109295.4268 299.1148 -161342.4179 -108933.5140 299.5775 181.9962 214.8082 761926.8535 9.3884 9.5536 PRESSURE: 1884000 3.8699 84.6999 180.416 84.7 54.3843 24.5663 180.416 24.5663 402.84 GPRESSURE: 1884000 -1.1227 46.5533 211.062 97.0402 175.945 7.76805 118.019 31.2522 373.719 PRESSAVG: 1884000 -64.0984 -31.3938 27.4116 -31.3937 42.3428 11.154 27.4116 11.1539 19.2861 GPRESSAVG: 1884000 -63.8877 -31.2167 28.7967 -33.4705 42.0472 10.22 25.9529 11.4995 19.1309 TIMING: 1884000 CPU: 5942.89, 0.00315445/step Wall: 5942.89, 0.00315445/step, 2.73035 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1884000 3942.9900 20442.4441 14497.8971 250.3214 -203524.2098 2875.9134 0.0000 0.0000 52335.0766 -109179.5673 300.7704 -161514.6439 -108802.0910 299.6951 153.6982 182.8472 761558.6790 -0.8232 -0.9032 PRESSURE: 1884200 250.63 28.3759 63.2835 28.3746 428.407 -232.534 63.2831 -232.534 337.569 GPRESSURE: 1884200 302.784 40.5645 6.58744 29.1977 398.768 -245.493 64.8863 -133.229 383.997 PRESSAVG: 1884200 -76.661 -15.7522 -10.1742 -15.7522 56.3281 -17.422 -10.1742 -17.422 -4.29769 GPRESSAVG: 1884200 -76.4058 -18.0255 -11.0574 -13.6924 56.4026 -15.3879 -9.54715 -18.5827 -5.3732 TIMING: 1884200 CPU: 5943.52, 0.00314705/step Wall: 5943.52, 0.00314705/step, 2.72377 hours remaining, 238.148438 MB of memory in use. ENERGY: 1884200 3865.3008 20643.4600 14505.8702 245.9415 -203375.9244 2652.2202 0.0000 0.0000 52164.3781 -109298.7536 299.7894 -161463.1317 -108939.1749 299.7096 338.8684 361.8497 761263.4126 -8.2102 -8.4588 LDB: ============= START OF LOAD BALANCING ============== 5955.91 LDB: ============== END OF LOAD BALANCING =============== 5955.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5955.91 LDB: ============= START OF LOAD BALANCING ============== 5956.23 LDB: Largest compute 7067 load 0.033416 is 17.1% of average load 0.195954 LDB: Average compute 0.004403 is 2.2% of average load 0.195954 LDB: TIME 5956.23 LOAD: AVG 0.195954 MAX 0.21867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 5956.23 LOAD: AVG 0.195954 MAX 0.21867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: TIME 5956.23 LOAD: AVG 0.195954 MAX 0.21867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5956.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5956.24 PRESSURE: 1884400 225.728 94.2419 -122.183 94.2418 34.4977 -104.294 -122.184 -104.293 40.4491 GPRESSURE: 1884400 243.476 19.9873 -78.5223 143.218 83.3424 -159.747 -62.9633 -184.019 54.0376 PRESSAVG: 1884400 -27.9904 -15.2085 -24.4497 -15.2085 -17.7411 10.6273 -24.4497 10.6274 8.92554 GPRESSAVG: 1884400 -27.814 -15.0371 -23.5516 -14.5126 -17.6447 11.1886 -24.1632 12.1246 8.48829 TIMING: 1884400 CPU: 5944.16, 0.00321715/step Wall: 5944.16, 0.00321716/step, 2.78427 hours remaining, 238.980469 MB of memory in use. ENERGY: 1884400 3994.1432 20622.5281 14530.1511 264.8954 -203869.2327 3007.6273 0.0000 0.0000 52168.3515 -109281.5361 299.8122 -161449.8876 -108919.0628 299.2591 100.2248 126.9519 761631.6746 -12.2687 -12.3235 PRESSURE: 1884600 48.4429 -136.7 103.792 -136.701 265.98 -28.1095 103.792 -28.109 21.5107 GPRESSURE: 1884600 44.152 31.3876 27.1503 -102.649 254.995 30.8432 98.2415 -124.851 118.406 PRESSAVG: 1884600 -36.2071 19.7425 -11.5766 19.7424 39.3061 12.8542 -11.5765 12.8542 -7.268 GPRESSAVG: 1884600 -37.0642 21.1291 -12.1217 19.742 38.8666 11.3145 -12.3383 11.5084 -5.81646 TIMING: 1884600 CPU: 5944.79, 0.00315218/step Wall: 5944.79, 0.00315218/step, 2.72786 hours remaining, 239.183594 MB of memory in use. ENERGY: 1884600 3966.5542 20666.3064 14549.4180 233.7985 -203713.2475 2906.7535 0.0000 0.0000 52082.8489 -109307.5680 299.3208 -161390.4169 -108949.3585 299.3002 111.9778 139.1843 761757.4222 -1.3897 -1.3380 PRESSURE: 1884800 -50.4343 -142.415 -154.362 -142.415 -45.5709 133.951 -154.362 133.951 -101.071 GPRESSURE: 1884800 5.54833 -30.207 -170.824 -126.908 -0.139302 139.052 -73.0298 -59.3962 -115.77 PRESSAVG: 1884800 -32.6706 29.312 42.0708 29.3121 1.73024 -21.0854 42.0708 -21.0855 18.0184 GPRESSAVG: 1884800 -32.4903 30.3908 42.3465 27.4032 2.79468 -21.6335 41.9675 -19.2342 16.978 TIMING: 1884800 CPU: 5945.42, 0.00314568/step Wall: 5945.42, 0.00314568/step, 2.72206 hours remaining, 239.183594 MB of memory in use. ENERGY: 1884800 4026.7948 20604.4217 14505.9153 248.6867 -203496.0106 2461.0680 0.0000 0.0000 52354.4088 -109294.7153 300.8815 -161649.1241 -108926.1200 299.5225 -65.6920 -36.7868 761427.7796 -4.3073 -4.2392 PRESSURE: 1885000 -95.316 199.925 40.4856 199.924 202.356 5.33302 40.4857 5.33354 -35.4088 GPRESSURE: 1885000 -88.7284 72.5938 38.8984 195.958 234.663 34.429 17.8207 -7.10426 2.81571 PRESSAVG: 1885000 24.1708 19.4693 -37.1568 19.4693 2.9605 5.65759 -37.1568 5.65751 -21.7444 GPRESSAVG: 1885000 22.9829 17.9803 -35.7677 21.1326 2.20264 4.69022 -36.0603 6.37263 -19.8495 TIMING: 1885000 CPU: 5946.04, 0.00313132/step Wall: 5946.04, 0.00313132/step, 2.70947 hours remaining, 239.183594 MB of memory in use. ENERGY: 1885000 3977.6339 20580.3999 14475.3715 246.7156 -203088.1925 2413.1148 0.0000 0.0000 52115.6901 -109279.2668 299.5096 -161394.9568 -108922.9612 300.4629 23.8770 49.5835 761972.5059 1.7956 1.7787 PRESSURE: 1885200 -30.6434 -267.54 82.2216 -267.54 -19.6215 168.06 82.2214 168.061 -162.942 GPRESSURE: 1885200 9.58442 -218.658 115.668 -224.557 15.0738 129.977 -74.8598 99.7163 -136.268 PRESSAVG: 1885200 -61.847 19.4449 -28.0195 19.4449 24.589 -31.2295 -28.0195 -31.2295 9.1681 GPRESSAVG: 1885200 -60.2229 17.5743 -28.5241 19.8953 24.7308 -30.9197 -29.1967 -32.4644 7.35366 TIMING: 1885200 CPU: 5946.68, 0.00315635/step Wall: 5946.68, 0.00315635/step, 2.73095 hours remaining, 239.183594 MB of memory in use. ENERGY: 1885200 4054.4486 20566.5209 14436.0433 256.4433 -202954.4138 2410.0579 0.0000 0.0000 51856.6762 -109374.2236 298.0210 -161230.8998 -109016.1979 299.4183 -71.0690 -37.2033 762877.4326 -9.3633 -9.3795 PRESSURE: 1885400 165.937 -43.4305 -28.4587 -43.4305 -438.32 -105.251 -28.4591 -105.252 -78.52 GPRESSURE: 1885400 70.2527 22.1194 -17.7876 53.5777 -326.429 -128.058 -128.694 -129.796 10.2296 PRESSAVG: 1885400 14.6477 -7.23748 14.0713 -7.23752 -49.9104 -3.16751 14.0714 -3.16756 15.4199 GPRESSAVG: 1885400 13.5455 -7.92943 14.4788 -6.68676 -49.0924 -2.56693 12.3116 -2.77595 15.8853 TIMING: 1885400 CPU: 5947.31, 0.0031467/step Wall: 5947.31, 0.0031467/step, 2.72242 hours remaining, 239.183594 MB of memory in use. ENERGY: 1885400 4111.9184 20574.8800 14558.5869 248.8083 -203717.3763 2908.3998 0.0000 0.0000 51972.6438 -109342.1390 298.6875 -161314.7828 -108996.5071 299.8178 -116.9678 -81.9822 759842.2523 -6.6143 -6.5539 PRESSURE: 1885600 224.345 -68.9501 82.4619 -68.9504 135.865 6.32837 82.4632 6.32844 -81.9359 GPRESSURE: 1885600 341.369 -72.4158 22.148 -91.8144 54.0211 -83.7415 64.8132 44.59 -38.8471 PRESSAVG: 1885600 61.0557 -0.846239 0.595834 -0.846231 -36.3287 12.2464 0.595828 12.2463 13.0526 GPRESSAVG: 1885600 62.9253 2.235 0.385626 -1.47047 -38.5469 10.471 1.16395 12.1389 13.5683 TIMING: 1885600 CPU: 5947.93, 0.00313423/step Wall: 5947.93, 0.00313423/step, 2.71146 hours remaining, 239.183594 MB of memory in use. ENERGY: 1885600 4044.5725 20566.8359 14503.2584 237.9426 -203824.3282 2829.6613 0.0000 0.0000 52111.3800 -109530.6774 299.4848 -161642.0574 -109171.4429 299.6360 92.7578 118.8477 761289.2668 12.5932 12.6489 PRESSURE: 1885800 99.0662 -294.493 35.6327 -294.494 34.2486 -3.99603 35.6329 -3.99645 -17.1963 GPRESSURE: 1885800 165.662 -364.83 56.8139 -268.292 43.812 28.1748 -2.00114 72.9676 -21.9073 PRESSAVG: 1885800 51.9255 -33.0871 -9.66978 -33.0871 -94.2353 -37.7274 -9.66977 -37.7275 -3.08277 GPRESSAVG: 1885800 50.1017 -34.6264 -10.4945 -33.2875 -93.3615 -36.5042 -9.56037 -38.7348 -2.54439 TIMING: 1885800 CPU: 5948.56, 0.00313509/step Wall: 5948.56, 0.00313509/step, 2.71203 hours remaining, 239.183594 MB of memory in use. ENERGY: 1885800 3990.0686 20450.2136 14481.0284 246.5744 -203775.8970 2898.7059 0.0000 0.0000 52296.5809 -109412.7252 300.5492 -161709.3062 -109036.9729 298.9972 38.7062 62.5221 761171.0570 -15.1308 -15.2681 PRESSURE: 1886000 -457.976 242.528 -114.925 242.529 -155.365 98.5365 -114.925 98.5374 -309.254 GPRESSURE: 1886000 -341.128 279.908 -45.3984 288.823 -178.171 112.894 -5.01378 -58.5937 -296.646 PRESSAVG: 1886000 50.0149 -39.4251 -8.49664 -39.4252 -31.7901 4.80837 -8.49668 4.80841 -0.592413 GPRESSAVG: 1886000 49.6475 -39.4929 -7.89254 -36.4325 -32.7176 4.65893 -9.83928 4.48968 0.238926 TIMING: 1886000 CPU: 5949.19, 0.00315732/step Wall: 5949.19, 0.00315732/step, 2.73109 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1886000 4067.9758 20672.8793 14421.2227 237.7433 -203145.0295 2293.8943 0.0000 0.0000 52156.2668 -109295.0472 299.7428 -161451.3140 -108932.4957 299.4618 -307.5315 -271.9818 762590.4593 5.8775 5.7229 PRESSURE: 1886200 -295.823 2.06853 -65.9134 2.06827 -247.79 52.1188 -65.9137 52.1193 -490.447 GPRESSURE: 1886200 -259.92 -4.71873 -69.7814 -142.872 -218.325 -30.4614 -112.944 117.154 -462.659 PRESSAVG: 1886200 -51.8015 -7.07534 23.6233 -7.07528 68.744 -32.4645 23.6233 -32.4645 -4.43765 GPRESSAVG: 1886200 -49.7349 -5.05607 22.8505 -11.0627 68.6328 -32.3575 26.8028 -31.673 -6.24718 TIMING: 1886200 CPU: 5949.82, 0.00313361/step Wall: 5949.82, 0.00313361/step, 2.7104 hours remaining, 239.183594 MB of memory in use. ENERGY: 1886200 4051.3502 20432.1215 14397.3501 239.9099 -203073.8983 2578.7926 0.0000 0.0000 52181.5585 -109192.8156 299.8881 -161374.3741 -108828.1256 299.4415 -344.6867 -313.6347 764299.7245 4.1683 4.2169 PRESSURE: 1886400 -177.614 -28.4559 63.5507 -28.4562 161.58 -152.932 63.5516 -152.931 27.2143 GPRESSURE: 1886400 -136.986 -58.825 51.0292 -26.0812 198.535 -142.178 14.3818 -175.424 24.0271 PRESSAVG: 1886400 -3.26749 8.02697 -8.2296 8.02698 2.62146 1.74736 -8.22964 1.74746 19.1843 GPRESSAVG: 1886400 -3.66422 5.35834 -8.54506 9.53962 2.93016 1.41232 -9.03482 3.06306 19.4284 TIMING: 1886400 CPU: 5950.44, 0.00312408/step Wall: 5950.44, 0.00312408/step, 2.70198 hours remaining, 239.183594 MB of memory in use. ENERGY: 1886400 3951.0608 20550.3848 14526.4947 253.2418 -203325.2657 2546.9231 0.0000 0.0000 52124.2415 -109372.9191 299.5587 -161497.1606 -109003.0611 299.9279 3.7270 28.5253 763081.9473 6.1794 6.2315 PRESSURE: 1886600 -609.553 -39.1579 -29.4544 -39.1577 -358.399 -53.8015 -29.4545 -53.8011 -414.955 GPRESSURE: 1886600 -585.115 -66.091 -73.3132 61.8681 -354.786 -32.6591 -63.3074 11.5929 -357.524 PRESSAVG: 1886600 44.3298 -21.3506 9.13332 -21.3507 -37.4613 -23.1295 9.13328 -23.1295 24.3307 GPRESSAVG: 1886600 42.6487 -19.3886 9.10113 -23.2588 -36.0921 -23.9969 9.53967 -21.5272 24.949 TIMING: 1886600 CPU: 5951.07, 0.0031458/step Wall: 5951.07, 0.0031458/step, 2.72059 hours remaining, 239.183594 MB of memory in use. ENERGY: 1886600 4057.7171 20382.1737 14409.6657 251.9732 -203259.5692 2507.1086 0.0000 0.0000 52014.9569 -109635.9740 298.9307 -161650.9309 -109273.0027 299.2723 -460.9691 -432.4749 762761.1878 10.3997 10.5018 PRESSURE: 1886800 111.269 -23.1723 76.9619 -23.1721 123.457 -18.448 76.9619 -18.4478 160.643 GPRESSURE: 1886800 154.352 26.6175 7.85542 8.85018 168.987 -34.2087 235.305 -139.424 139.147 PRESSAVG: 1886800 2.30775 51.1251 -6.25339 51.1251 0.778371 11.9776 -6.25339 11.9776 23.5906 GPRESSAVG: 1886800 2.49867 48.8541 -4.79298 54.131 -0.779423 13.0499 -7.04888 8.91282 24.3341 TIMING: 1886800 CPU: 5951.7, 0.00314307/step Wall: 5951.7, 0.00314307/step, 2.71806 hours remaining, 239.183594 MB of memory in use. ENERGY: 1886800 4049.4859 20431.6650 14389.5383 251.5679 -203415.0173 2694.7531 0.0000 0.0000 52079.8282 -109518.1788 299.3035 -161598.0071 -109156.0860 299.1626 131.7897 154.1619 761515.8665 8.8923 8.6845 PRESSURE: 1887000 -166.923 126.799 167.651 126.799 -280.959 135.259 167.651 135.258 -86.4808 GPRESSURE: 1887000 -190.985 60.991 202.191 -28.615 -153.283 176.893 125.589 170.122 -104.398 PRESSAVG: 1887000 -20.3767 14.4672 29.8876 14.4672 34.6254 -23.7982 29.8876 -23.7983 7.7731 GPRESSAVG: 1887000 -20.0859 14.0035 28.3031 13.3335 35.4448 -24.978 30.8956 -21.22 6.4932 TIMING: 1887000 CPU: 5952.33, 0.00313955/step Wall: 5952.33, 0.00313954/step, 2.71483 hours remaining, 239.183594 MB of memory in use. ENERGY: 1887000 3909.4811 20431.6344 14401.8517 238.6890 -203077.5600 2489.7381 0.0000 0.0000 52153.2879 -109452.8778 299.7257 -161606.1658 -109085.3525 299.0192 -178.1210 -149.5552 762582.0154 7.3406 7.2840 PRESSURE: 1887200 222.293 -8.34147 -47.1293 -8.34133 -32.774 -77.5255 -47.1295 -77.5262 44.2223 GPRESSURE: 1887200 264.444 54.5786 -9.89924 113.011 22.9978 0.369977 -37.9143 -125.243 62.0996 PRESSAVG: 1887200 -17.9988 -10.519 -12.4272 -10.519 43.2548 58.6088 -12.4272 58.6089 11.5043 GPRESSAVG: 1887200 -17.9762 -11.435 -12.2281 -9.46995 43.145 59.6376 -12.2187 55.5905 11.5584 TIMING: 1887200 CPU: 5952.95, 0.00312766/step Wall: 5952.95, 0.00312766/step, 2.70438 hours remaining, 239.183594 MB of memory in use. ENERGY: 1887200 3956.4701 20482.8958 14478.4874 224.5625 -203454.6390 2748.5975 0.0000 0.0000 52126.4170 -109437.2086 299.5712 -161563.6256 -109073.9218 299.3355 77.9139 116.5138 760258.3920 12.2534 12.2424 PRESSURE: 1887400 -97.7492 -51.2817 19.0154 -51.2824 296.933 83.0344 19.0137 83.0344 520.182 GPRESSURE: 1887400 -75.3598 -67.9866 50.3987 -156.194 352.035 153.685 -18.3777 -16.3767 511.6 PRESSAVG: 1887400 11.8055 -69.5718 6.80824 -69.5718 46.8563 15.1885 6.80829 15.1884 -23.2727 GPRESSAVG: 1887400 12.1236 -68.3393 6.18183 -69.5794 47.2796 14.4549 6.03709 16.1448 -24.2049 TIMING: 1887400 CPU: 5953.58, 0.00312366/step Wall: 5953.58, 0.00312366/step, 2.70075 hours remaining, 239.183594 MB of memory in use. ENERGY: 1887400 4024.1904 20462.4270 14503.5072 238.2121 -203649.4239 2985.1672 0.0000 0.0000 52177.4268 -109258.4932 299.8644 -161435.9200 -108896.5589 299.7598 239.7886 262.7585 762554.6424 11.7964 11.7328 PRESSURE: 1887600 14.4534 -56.4637 -4.92057 -56.4642 143.25 130.31 -4.92145 130.311 -184.824 GPRESSURE: 1887600 -62.5883 -26.3257 47.7744 -117.103 188.633 76.8172 0.344953 152.774 -79.8607 PRESSAVG: 1887600 27.2699 -20.3923 57.5488 -20.3922 19.1669 20.6015 57.5488 20.6015 11.928 GPRESSAVG: 1887600 27.3214 -20.2905 59.1201 -19.9424 18.4127 19.6754 56.5719 20.9147 12.3716 TIMING: 1887600 CPU: 5954.2, 0.0031218/step Wall: 5954.2, 0.00312179/step, 2.69896 hours remaining, 239.183594 MB of memory in use. ENERGY: 1887600 3893.4590 20527.6420 14394.8660 235.1592 -203751.5541 2772.2733 0.0000 0.0000 52221.2847 -109706.8697 300.1164 -161928.1545 -109341.6915 299.6825 -9.0403 15.3947 760990.0392 19.4549 19.3686 PRESSURE: 1887800 -221.236 105.672 123.936 105.672 22.9819 -115.11 123.936 -115.109 51.9686 GPRESSURE: 1887800 -196.124 155.076 107.364 109.23 98.2771 -144.655 125.228 -92.1455 24.2458 PRESSAVG: 1887800 1.72918 -15.4566 28.4164 -15.4565 50.7319 46.3368 28.4163 46.3368 -4.67334 GPRESSAVG: 1887800 2.01346 -15.236 28.6729 -16.9906 50.8537 49.1057 31.1171 44.0048 -4.76159 TIMING: 1887800 CPU: 5954.83, 0.0031362/step Wall: 5954.83, 0.0031362/step, 2.71125 hours remaining, 239.183594 MB of memory in use. ENERGY: 1887800 3964.0398 20587.9675 14433.4866 250.4773 -203594.0027 2570.4210 0.0000 0.0000 52189.5167 -109598.0938 299.9339 -161787.6105 -109238.2793 299.5678 -48.7619 -24.5337 762308.5008 15.9293 16.0352 PRESSURE: 1888000 93.0115 26.7854 -150.093 26.7857 152.412 -64.3987 -150.093 -64.3977 -48.8535 GPRESSURE: 1888000 113.27 150.333 -191.685 -12.6174 125.379 38.2397 -102.244 -139.457 27.0115 PRESSAVG: 1888000 -50.1184 -24.8225 34.6839 -24.8225 43.6216 34.2411 34.684 34.2411 -16.8356 GPRESSAVG: 1888000 -50.3328 -24.4106 33.758 -24.81 43.5542 33.8015 32.8769 36.4361 -16.9151 TIMING: 1888000 CPU: 5955.46, 0.00313775/step Wall: 5955.46, 0.00313775/step, 2.71241 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1888000 3945.0507 20579.8978 14497.3242 260.9919 -203318.1379 2578.2825 0.0000 0.0000 51958.4330 -109498.1579 298.6058 -161456.5909 -109135.9515 299.1742 65.5233 88.5537 762690.1313 -7.7775 -7.8979 PRESSURE: 1888200 -340.74 -164.195 104.979 -164.194 -66.3458 -47.701 104.979 -47.7013 -113.22 GPRESSURE: 1888200 -264.758 -238.705 119.768 -173.637 13.6769 -79.2616 74.5779 -16.778 -167.739 PRESSAVG: 1888200 -29.7488 -87.3572 -18.157 -87.3572 -1.07935 14.2589 -18.157 14.259 -0.740523 GPRESSAVG: 1888200 -28.9145 -89.3713 -17.6525 -85.5878 -2.06426 13.1085 -18.5054 13.1117 -0.644122 TIMING: 1888200 CPU: 5956.08, 0.00313017/step Wall: 5956.08, 0.00313017/step, 2.70568 hours remaining, 239.183594 MB of memory in use. ENERGY: 1888200 4029.2984 20583.2498 14438.5422 245.9945 -203368.9147 2658.3956 0.0000 0.0000 51929.5485 -109483.8859 298.4398 -161413.4344 -109132.2086 299.4565 -173.4353 -139.6067 762793.3621 -10.5229 -10.5410 LDB: ============= START OF LOAD BALANCING ============== 5968.48 LDB: ============== END OF LOAD BALANCING =============== 5968.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5968.48 LDB: ============= START OF LOAD BALANCING ============== 5968.8 LDB: Largest compute 7034 load 0.033195 is 16.9% of average load 0.195968 LDB: Average compute 0.004371 is 2.2% of average load 0.195968 LDB: TIME 5968.8 LOAD: AVG 0.195968 MAX 0.221706 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.168 MB LDB: TIME 5968.8 LOAD: AVG 0.195968 MAX 0.221706 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: TIME 5968.8 LOAD: AVG 0.195968 MAX 0.221706 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5968.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5968.81 PRESSURE: 1888400 -77.4539 -111.763 -263.904 -111.764 195.357 -9.65287 -263.905 -9.6527 38.9148 GPRESSURE: 1888400 -51.8819 -188.351 -262.656 -124.108 281.679 3.86687 -119.276 4.98396 5.09767 PRESSAVG: 1888400 -65.7419 -53.0507 -12.4341 -53.0506 54.3991 -1.37665 -12.4342 -1.37666 -8.37501 GPRESSAVG: 1888400 -66.6044 -52.252 -13.0701 -53.3393 56.2096 -1.23648 -10.3804 -1.41937 -8.54501 TIMING: 1888400 CPU: 5956.72, 0.00320452/step Wall: 5956.72, 0.00320452/step, 2.76977 hours remaining, 238.863281 MB of memory in use. ENERGY: 1888400 3961.6136 20399.0238 14509.0520 247.1018 -203717.9393 2819.1067 0.0000 0.0000 52398.8203 -109383.2211 301.1367 -161782.0414 -109015.0642 299.8447 52.2726 78.2984 761805.6418 -6.5726 -6.3133 PRESSURE: 1888600 -153.917 -107.698 -12.5954 -107.698 -86.6001 -11.0928 -12.5946 -11.0925 38.2066 GPRESSURE: 1888600 -113.958 1.82777 8.70277 -218.401 -56.8647 71.1547 -59.9143 132.191 44.2972 PRESSAVG: 1888600 -7.15497 -14.6345 -13.1627 -14.6344 -6.77223 17.1944 -13.1627 17.1944 17.1414 GPRESSAVG: 1888600 -5.7269 -14.3189 -12.7701 -16.5152 -7.2579 14.4619 -15.85 19.057 16.362 TIMING: 1888600 CPU: 5957.35, 0.00314554/step Wall: 5957.35, 0.00314554/step, 2.71862 hours remaining, 239.066406 MB of memory in use. ENERGY: 1888600 3973.0911 20596.4304 14476.3606 240.3334 -203670.2707 2703.9851 0.0000 0.0000 52360.7041 -109319.3659 300.9177 -161680.0700 -108957.7325 299.7450 -67.4368 -42.1752 761555.3150 1.0714 1.1257 PRESSURE: 1888800 122.331 64.2147 53.6309 64.2152 72.3526 87.7632 53.631 87.762 164.974 GPRESSURE: 1888800 134.764 52.4112 129.988 54.148 80.8329 49.2478 190.791 222.813 234.823 PRESSAVG: 1888800 -3.78643 -30.2107 -31.2759 -30.2107 23.222 -1.90148 -31.2759 -1.9015 1.98014 GPRESSAVG: 1888800 -4.32757 -30.3626 -31.4054 -28.8773 23.0546 -1.25079 -30.3252 -2.71977 3.15988 TIMING: 1888800 CPU: 5957.98, 0.00314/step Wall: 5957.98, 0.00314/step, 2.71366 hours remaining, 239.066406 MB of memory in use. ENERGY: 1888800 4051.9558 20540.8969 14479.3012 248.6119 -203387.3130 2708.5608 0.0000 0.0000 52134.8127 -109223.1736 299.6195 -161357.9863 -108870.0098 300.0705 119.8857 150.1400 761383.2932 7.1386 7.2957 PRESSURE: 1889000 -32.518 60.6544 236.259 60.6533 -139.569 150.568 236.259 150.568 41.5069 GPRESSURE: 1889000 71.2816 54.0678 168.527 106.424 -237.122 113.729 251.656 -39.2928 109.692 PRESSAVG: 1889000 21.854 -31.1754 36.5109 -31.1754 12.2972 37.9663 36.511 37.9663 13.8811 GPRESSAVG: 1889000 22.9992 -32.8917 37.0266 -30.1446 11.4306 39.843 36.1198 38.2782 13.1866 TIMING: 1889000 CPU: 5958.62, 0.00317517/step Wall: 5958.62, 0.00317517/step, 2.74387 hours remaining, 239.066406 MB of memory in use. ENERGY: 1889000 4022.0936 20660.7440 14471.1791 218.7907 -203427.7145 2580.3738 0.0000 0.0000 52189.2295 -109285.3039 299.9322 -161474.5334 -108917.2674 300.1343 -43.5266 -18.7164 760733.9926 16.0108 15.8721 PRESSURE: 1889200 139.199 86.5233 184.526 86.5242 -15.0553 -122.751 184.527 -122.751 -90.5986 GPRESSURE: 1889200 132.682 11.9741 182.125 49.4379 32.4526 -280.809 124.81 -102.072 -51.0522 PRESSAVG: 1889200 13.6146 10.2603 32.362 10.2602 -4.56156 28.275 32.362 28.275 -16.2362 GPRESSAVG: 1889200 12.669 12.9 33.4147 8.66603 -3.74988 26.2812 32.7162 27.8321 -16.3263 TIMING: 1889200 CPU: 5959.25, 0.00316468/step Wall: 5959.25, 0.00316468/step, 2.73463 hours remaining, 239.066406 MB of memory in use. ENERGY: 1889200 3966.0059 20693.9752 14475.2938 247.3560 -203348.7014 2561.3843 0.0000 0.0000 52043.0139 -109361.6722 299.0919 -161404.6861 -109005.3598 300.1235 11.1817 38.0275 761157.2211 -2.3944 -2.4691 PRESSURE: 1889400 55.285 -82.4627 135.213 -82.4622 189.843 -133.289 135.213 -133.289 106.086 GPRESSURE: 1889400 71.0621 -182.691 30.073 -16.9946 291.929 -123.124 228.2 -22.0545 67.8106 PRESSAVG: 1889400 -34.9482 -16.577 61.075 -16.577 34.2304 51.4802 61.075 51.4802 20.8878 GPRESSAVG: 1889400 -35.4293 -16.6183 58.3857 -15.8389 34.7996 52.1762 61.0183 52.6631 20.6067 TIMING: 1889400 CPU: 5959.88, 0.0031299/step Wall: 5959.88, 0.0031299/step, 2.70441 hours remaining, 239.066406 MB of memory in use. ENERGY: 1889400 3897.2886 20430.7450 14438.1851 244.1652 -203475.1756 2616.6448 0.0000 0.0000 52369.3313 -109478.8156 300.9673 -161848.1470 -109122.0630 299.8682 117.0716 143.6006 760815.1950 6.7233 6.6590 PRESSURE: 1889600 80.7799 114.54 221.45 114.541 -93.9663 177.722 221.45 177.724 276.009 GPRESSURE: 1889600 55.1146 -7.85173 124.101 56.8276 -83.068 238.776 164.131 216.759 363.699 PRESSAVG: 1889600 58.8208 -21.5716 -17.4096 -21.5716 -22.9765 30.3028 -17.4096 30.3029 -10.3283 GPRESSAVG: 1889600 58.7253 -22.8745 -15.8879 -22.3259 -23.5211 31.2158 -16.9837 30.7177 -10.6164 TIMING: 1889600 CPU: 5960.5, 0.00314567/step Wall: 5960.5, 0.00314567/step, 2.71786 hours remaining, 239.066406 MB of memory in use. ENERGY: 1889600 4044.4294 20537.6140 14440.2442 240.6549 -203429.4307 2689.8829 0.0000 0.0000 52156.5760 -109320.0292 299.7446 -161476.6052 -108961.4390 300.0446 87.6074 111.9150 759994.7626 8.5053 8.1959 PRESSURE: 1889800 52.1728 -47.3223 3.39331 -47.3235 -31.9906 93.7007 3.39378 93.7007 -239.613 GPRESSURE: 1889800 118.474 -45.5134 126.087 -41.1953 33.5979 117.005 79.9128 57.5811 -279.732 PRESSAVG: 1889800 2.91981 -8.57573 116.371 -8.57574 -49.2462 36.3916 116.371 36.3917 -7.12042 GPRESSAVG: 1889800 3.07756 -8.23213 114.899 -9.0515 -49.5269 36.5283 116.639 35.1973 -7.09476 TIMING: 1889800 CPU: 5961.14, 0.00316329/step Wall: 5961.14, 0.00316329/step, 2.73291 hours remaining, 239.066406 MB of memory in use. ENERGY: 1889800 4057.7051 20475.1930 14420.8589 257.7483 -203616.9151 2754.9212 0.0000 0.0000 52196.4741 -109454.0145 299.9739 -161650.4886 -109086.2078 299.7707 -73.1435 -42.5535 761474.2725 -17.8156 -17.8480 PRESSURE: 1890000 -39.1266 -98.7782 12.7723 -98.7787 -325.484 -48.1471 12.772 -48.1464 -319.75 GPRESSURE: 1890000 -32.8562 -79.1841 3.65314 16.5646 -230.754 89.9327 -41.4813 -27.2122 -336.637 PRESSAVG: 1890000 63.1979 -18.4433 27.2825 -18.4433 -51.9265 37.3213 27.2825 37.3213 29.0509 GPRESSAVG: 1890000 63.3317 -16.8016 28.1795 -17.1112 -52.8074 37.3215 27.191 37.0065 29.4922 TIMING: 1890000 CPU: 5961.77, 0.00314148/step Wall: 5961.77, 0.00314148/step, 2.71389 hours remaining, 239.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1890000 4053.9164 20501.0840 14442.3511 252.5083 -203162.7416 2415.3798 0.0000 0.0000 51941.9801 -109555.5218 298.5113 -161497.5019 -109186.1780 299.2775 -228.1201 -200.0822 762324.6003 13.4408 13.3388 PRESSURE: 1890200 -48.0142 -167.593 27.4267 -167.593 70.5502 162.974 27.427 162.975 -211.134 GPRESSURE: 1890200 45.7553 -195.32 -44.4122 -148.789 8.19824 290.935 12.3919 171.591 -178.008 PRESSAVG: 1890200 12.0518 -44.3216 25.411 -44.3216 -28.9938 24.8757 25.411 24.8757 0.0593705 GPRESSAVG: 1890200 11.2037 -44.7986 24.996 -44.7683 -28.0534 25.619 24.6596 26.0315 -0.704466 TIMING: 1890200 CPU: 5962.4, 0.00314977/step Wall: 5962.4, 0.00314977/step, 2.72088 hours remaining, 239.066406 MB of memory in use. ENERGY: 1890200 4116.0720 20588.7879 14455.4116 266.8186 -203999.8789 2905.3417 0.0000 0.0000 52376.1885 -109291.2586 301.0067 -161667.4471 -108930.9414 299.4060 -62.8659 -41.3516 763347.6636 -5.6275 -5.8514 PRESSURE: 1890400 -225.414 -27.1824 -96.0254 -27.182 75.1308 41.03 -96.026 41.0295 -164.571 GPRESSURE: 1890400 -99.4207 -76.6045 -33.3654 -74.7309 5.8111 45.7401 -163.752 -26.7183 -148.152 PRESSAVG: 1890400 -31.13 21.969 15.083 21.969 39.6647 7.90235 15.0831 7.9023 23.0587 GPRESSAVG: 1890400 -30.4841 20.7905 16.5341 21.7163 39.4607 6.33642 14.2744 7.96768 23.1304 TIMING: 1890400 CPU: 5963.02, 0.00312804/step Wall: 5963.02, 0.00312804/step, 2.70193 hours remaining, 239.066406 MB of memory in use. ENERGY: 1890400 3955.0206 20551.5759 14451.4601 237.2274 -203325.2784 2586.1527 0.0000 0.0000 52276.6586 -109267.1830 300.4347 -161543.8416 -108888.2385 300.3156 -104.9514 -80.5872 762534.0847 10.5312 10.7024 PRESSURE: 1890600 -395.503 -21.2535 -42.4259 -21.2529 39.0815 -227.082 -42.4257 -227.082 -430.666 GPRESSURE: 1890600 -356.797 -85.9877 50.8642 -32.6673 118.188 -185.691 -201.887 -113.954 -471.128 PRESSAVG: 1890600 -39.8534 -37.6504 18.1012 -37.6505 15.9661 -20.9462 18.1011 -20.9461 -7.85708 GPRESSAVG: 1890600 -40.6944 -37.931 17.2982 -36.2639 16.8821 -19.3618 19.4079 -22.4122 -8.08664 TIMING: 1890600 CPU: 5963.65, 0.00313252/step Wall: 5963.65, 0.00313252/step, 2.70562 hours remaining, 239.066406 MB of memory in use. ENERGY: 1890600 4056.2910 20595.7456 14409.1571 240.8661 -203053.8120 2498.6958 0.0000 0.0000 52151.1957 -109101.8608 299.7136 -161253.0565 -108731.3399 300.1581 -262.3622 -236.5789 762823.0667 -10.5815 -10.6330 PRESSURE: 1890800 -303.416 154.028 110.601 154.027 -89.2945 59.95 110.601 59.9499 -315.979 GPRESSURE: 1890800 -238.88 156.413 116.659 188.034 -60.9557 80.5818 80.224 55.2316 -330.273 PRESSAVG: 1890800 9.69098 -2.37581 68.7213 -2.37583 -5.10542 -3.48094 68.7213 -3.48094 -0.127734 GPRESSAVG: 1890800 11.5602 0.172766 68.3931 -4.35525 -6.27859 -3.79364 68.3318 -3.45578 -0.337201 TIMING: 1890800 CPU: 5964.27, 0.00312977/step Wall: 5964.27, 0.00312977/step, 2.70308 hours remaining, 239.066406 MB of memory in use. ENERGY: 1890800 4095.2029 20624.8178 14454.1980 222.9189 -203262.1321 2490.0099 0.0000 0.0000 52286.7234 -109088.2612 300.4925 -161374.9846 -108709.5438 300.2163 -236.2298 -210.0365 760896.2328 1.4859 1.6481 PRESSURE: 1891000 184.815 -71.6427 12.5964 -71.6423 -102.162 -229.049 12.5968 -229.048 108.502 GPRESSURE: 1891000 237.08 54.0698 15.1734 96.7255 -120.457 -196.691 65.3681 -204.896 147.752 PRESSAVG: 1891000 -18.4794 32.3919 43.4985 32.3919 -15.7611 31.1234 43.4985 31.1234 -6.68085 GPRESSAVG: 1891000 -18.968 32.1573 43.5141 34.4072 -16.3374 29.364 43.2387 32.1107 -6.09735 TIMING: 1891000 CPU: 5964.9, 0.00312764/step Wall: 5964.9, 0.00312764/step, 2.70106 hours remaining, 239.066406 MB of memory in use. ENERGY: 1891000 4005.1888 20510.3739 14497.5427 231.4661 -203499.3516 2673.6507 0.0000 0.0000 52401.4364 -109179.6931 301.1518 -161581.1294 -108810.3089 300.4916 63.7185 88.1248 761312.9866 -13.6405 -13.8009 PRESSURE: 1891200 59.9068 59.8184 -178.565 59.8174 361.545 101.857 -178.565 101.857 -36.0268 GPRESSURE: 1891200 104.795 21.9845 -58.6782 -5.97861 305.029 141.213 -186.394 -68.958 52.8835 PRESSAVG: 1891200 -3.39937 -27.4889 22.1153 -27.489 24.3875 -46.2727 22.1153 -46.2726 13.907 GPRESSAVG: 1891200 -3.26495 -27.1334 23.2302 -28.4911 23.4877 -46.3175 22.8237 -47.0907 14.269 TIMING: 1891200 CPU: 5965.52, 0.00311522/step Wall: 5965.52, 0.00311522/step, 2.69017 hours remaining, 239.324219 MB of memory in use. ENERGY: 1891200 3995.0198 20644.2197 14534.0949 276.1146 -203559.2579 2660.9908 0.0000 0.0000 52233.2334 -109215.5847 300.1851 -161448.8180 -108845.3973 300.2881 128.4750 154.2357 761518.3207 11.6317 11.4972 PRESSURE: 1891400 -55.481 103.865 -73.1236 103.865 -198.356 -77.5814 -73.1228 -77.5813 405.304 GPRESSURE: 1891400 -100.432 61.3089 -126.079 85.2856 -58.6816 -39.2933 -144.626 -170.5 398.279 PRESSAVG: 1891400 -2.44917 -33.0791 4.63254 -33.0791 -18.166 -18.3714 4.6326 -18.3714 13.8973 GPRESSAVG: 1891400 -4.30378 -33.6791 3.67211 -34.1361 -17.0305 -15.9672 2.52596 -18.6306 13.8128 TIMING: 1891400 CPU: 5966.15, 0.00312398/step Wall: 5966.15, 0.00312398/step, 2.69756 hours remaining, 239.324219 MB of memory in use. ENERGY: 1891400 4004.3921 20550.4050 14468.1288 247.6935 -203401.1558 2755.1663 0.0000 0.0000 52270.4098 -109104.9604 300.3988 -161375.3701 -108743.1585 300.6066 50.4891 79.7215 761036.7717 -2.2393 -2.5072 PRESSURE: 1891600 -288.695 195.516 137.71 195.517 197.623 -187.096 137.709 -187.096 292.4 GPRESSURE: 1891600 -164.037 195.219 75.5173 173.044 184.694 -54.5547 212.484 -254.013 273.124 PRESSAVG: 1891600 -21.654 31.1663 -27.7288 31.1663 -4.24123 26.454 -27.7289 26.4541 -20.1333 GPRESSAVG: 1891600 -22.3466 30.4907 -28.1958 31.5251 -4.08446 27.082 -26.3711 26.0493 -19.8785 TIMING: 1891600 CPU: 5966.77, 0.00312457/step Wall: 5966.77, 0.00312457/step, 2.69789 hours remaining, 239.324219 MB of memory in use. ENERGY: 1891600 3930.4678 20515.6049 14516.3114 254.6206 -203235.6296 2315.5741 0.0000 0.0000 52370.3997 -109332.6511 300.9734 -161703.0508 -108957.0066 300.3592 67.1096 97.9269 761760.7291 -15.3428 -15.4365 PRESSURE: 1891800 103.319 131.529 66.9275 131.528 80.2825 -132.284 66.9263 -132.284 61.3738 GPRESSURE: 1891800 120.892 136.267 112.63 183.34 159.208 -113.751 118.835 -58.766 31.092 PRESSAVG: 1891800 -75.633 15.9042 49.5821 15.9042 55.2633 12.9017 49.5822 12.9017 6.25083 GPRESSAVG: 1891800 -73.822 18.7997 51.1988 15.146 54.7414 11.4553 49.1764 11.4843 5.46264 TIMING: 1891800 CPU: 5967.4, 0.00312356/step Wall: 5967.4, 0.00312356/step, 2.69685 hours remaining, 239.324219 MB of memory in use. ENERGY: 1891800 3963.4283 20633.0941 14480.2394 248.5130 -203580.2187 2744.5651 0.0000 0.0000 51969.3471 -109541.0318 298.6686 -161510.3789 -109179.7931 299.5907 81.6583 103.7305 762420.2937 -4.7063 -4.5393 PRESSURE: 1892000 -125.11 -210.119 -240.707 -210.118 62.7271 203.595 -240.706 203.595 133.317 GPRESSURE: 1892000 -125.196 -251.521 -245.414 -291.91 164.298 269.687 -306.182 170.83 117.375 PRESSAVG: 1892000 -11.6257 -28.5064 -19.4974 -28.5065 11.2477 -2.65529 -19.4974 -2.65535 -4.87561 GPRESSAVG: 1892000 -13.2649 -33.3862 -18.6484 -24.9329 11.8279 -3.17916 -20.3928 -0.391771 -3.64054 TIMING: 1892000 CPU: 5968.02, 0.00311594/step Wall: 5968.02, 0.00311594/step, 2.6901 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1892000 3967.2101 20608.7941 14473.7129 243.8065 -203999.7862 2916.0488 0.0000 0.0000 52261.7378 -109528.4760 300.3489 -161790.2138 -109160.0383 299.6532 23.6448 52.1591 762740.3442 -1.7512 -1.6925 PRESSURE: 1892200 -223.587 8.98981 -155.275 8.9901 -85.1462 69.6201 -155.274 69.6218 -206.843 GPRESSURE: 1892200 -142.382 -33.5622 -172.882 81.8443 -109.694 48.5046 -261.008 -25.7027 -189.235 PRESSAVG: 1892200 -30.3765 -19.877 -21.8735 -19.8769 26.6735 -25.5835 -21.8735 -25.5836 -7.17515 GPRESSAVG: 1892200 -30.4086 -15.9154 -25.2226 -22.5928 26.7495 -26.2397 -19.8178 -25.0045 -7.19408 TIMING: 1892200 CPU: 5968.64, 0.00311014/step Wall: 5968.64, 0.00311014/step, 2.68492 hours remaining, 239.324219 MB of memory in use. ENERGY: 1892200 4047.2318 20599.3010 14567.7856 240.8186 -203558.9540 2669.1110 0.0000 0.0000 51928.3700 -109506.3361 298.4331 -161434.7061 -109143.8668 299.7378 -171.8587 -147.1037 762360.0469 -3.6261 -3.6177 LDB: ============= START OF LOAD BALANCING ============== 5981.04 LDB: ============== END OF LOAD BALANCING =============== 5981.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5981.04 LDB: ============= START OF LOAD BALANCING ============== 5981.35 LDB: Largest compute 7067 load 0.033699 is 17.2% of average load 0.195848 LDB: Average compute 0.004390 is 2.2% of average load 0.195848 LDB: TIME 5981.36 LOAD: AVG 0.195848 MAX 0.222692 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.477 MB LDB: TIME 5981.36 LOAD: AVG 0.195848 MAX 0.222692 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.68 MB LDB: TIME 5981.36 LOAD: AVG 0.195848 MAX 0.222692 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.68 MB LDB: ============== END OF LOAD BALANCING =============== 5981.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5981.37 PRESSURE: 1892400 -249.385 -157.684 36.8295 -157.685 3.33129 59.1837 36.83 59.1838 -89.9338 GPRESSURE: 1892400 -151.46 -109.871 53.8534 -5.61889 36.5463 24.4319 135.805 -44.7028 -121.256 PRESSAVG: 1892400 39.5175 -38.3734 -0.953146 -38.3734 -5.86515 3.59118 -0.953173 3.59115 14.3863 GPRESSAVG: 1892400 40.6539 -39.796 0.971775 -36.7527 -6.1257 3.503 -1.71001 1.73986 14.1319 TIMING: 1892400 CPU: 5969.28, 0.00321006/step Wall: 5969.28, 0.00321006/step, 2.77099 hours remaining, 238.542969 MB of memory in use. ENERGY: 1892400 4022.5386 20472.8060 14568.5269 248.6656 -203391.3486 2520.7173 0.0000 0.0000 52096.2391 -109461.8550 299.3978 -161558.0941 -109091.3320 299.3945 -111.9960 -78.7232 763461.1740 16.0129 16.2200 PRESSURE: 1892600 28.176 6.33049 23.367 6.33077 -19.7837 -151.871 23.3668 -151.87 -128.989 GPRESSURE: 1892600 -14.2403 -76.3841 146.957 -12.0888 64.9347 -138.845 1.98382 -75.6731 -104.209 PRESSAVG: 1892600 29.1522 -61.5422 -3.01901 -61.5423 -31.5236 -29.5169 -3.01897 -29.5168 7.18769 GPRESSAVG: 1892600 29.3 -61.0957 -1.81514 -61.117 -31.2579 -28.8928 -2.94295 -29.4887 5.93891 TIMING: 1892600 CPU: 5969.91, 0.00312228/step Wall: 5969.91, 0.00312228/step, 2.69505 hours remaining, 238.613281 MB of memory in use. ENERGY: 1892600 4001.4338 20651.1249 14459.8573 253.4825 -203623.8978 2682.1373 0.0000 0.0000 52011.2014 -109564.6605 298.9091 -161575.8619 -109193.1843 299.2588 -40.1990 -17.8383 762931.5562 1.6055 1.3270 PRESSURE: 1892800 -182.58 -10.8808 58.9104 -10.8813 -433.448 113.094 58.9097 113.095 -79.366 GPRESSURE: 1892800 -185.737 -36.1399 153.813 10.1414 -342.247 251.34 48.8936 40.0288 -72.3265 PRESSAVG: 1892800 61.0576 -14.3489 -3.26951 -14.3488 -38.8705 31.5586 -3.26951 31.5586 16.7575 GPRESSAVG: 1892800 59.835 -14.7604 -2.82497 -15.3958 -38.847 31.7843 -1.09216 32.9689 17.7995 TIMING: 1892800 CPU: 5970.53, 0.00311049/step Wall: 5970.53, 0.00311049/step, 2.6847 hours remaining, 238.613281 MB of memory in use. ENERGY: 1892800 3990.6841 20689.6371 14517.0301 259.5846 -203284.1236 2473.6428 0.0000 0.0000 51867.9797 -109485.5652 298.0860 -161353.5449 -109123.5183 298.9718 -231.7979 -200.1037 764623.0386 12.9815 12.9292 PRESSURE: 1893000 85.2132 -122.145 -48.1412 -122.144 -192.852 77.6574 -48.1411 77.6576 -375.158 GPRESSURE: 1893000 49.4365 -111.904 -104.167 33.7432 -82.0349 129.191 16.1255 135.764 -363.374 PRESSAVG: 1893000 1.02333 -26.6101 7.58349 -26.6101 -21.3345 55.2 7.58345 55.2001 -30.9156 GPRESSAVG: 1893000 0.212814 -27.8962 8.13778 -27.2189 -21.0782 55.4859 5.01173 54.2683 -30.5535 TIMING: 1893000 CPU: 5971.15, 0.00312382/step Wall: 5971.15, 0.00312382/step, 2.69603 hours remaining, 238.613281 MB of memory in use. ENERGY: 1893000 4055.4745 20397.1618 14543.6906 254.1982 -203460.9798 2618.2786 0.0000 0.0000 51964.4073 -109627.7689 298.6402 -161592.1762 -109249.0622 298.8590 -160.9322 -131.9908 764343.3419 -17.0756 -17.1396 PRESSURE: 1893200 371.406 -123.438 1.35265 -123.438 -320.057 21.4945 1.35264 21.4941 -667.139 GPRESSURE: 1893200 316.596 -134.868 53.7104 -105.666 -228.569 81.0689 -22.4845 11.8985 -631.239 PRESSAVG: 1893200 -22.8479 -12.7429 1.41707 -12.743 -11.896 5.84904 1.41708 5.84906 37.2111 GPRESSAVG: 1893200 -22.7511 -9.9968 0.119755 -12.5136 -12.0588 4.85721 2.10454 7.37681 37.0738 TIMING: 1893200 CPU: 5971.78, 0.00311577/step Wall: 5971.78, 0.00311577/step, 2.68891 hours remaining, 238.613281 MB of memory in use. ENERGY: 1893200 4053.4252 20470.6804 14422.8343 227.2346 -203192.3729 2334.8727 0.0000 0.0000 51897.1761 -109786.1496 298.2538 -161683.3257 -109420.1073 298.0796 -205.2635 -181.0706 761541.7119 0.8224 0.7546 PRESSURE: 1893400 -83.0336 -170.037 -83.947 -170.037 79.5139 375.563 -83.9464 375.562 -386.441 GPRESSURE: 1893400 -29.3552 -247.787 -48.8873 -188.828 55.334 275.974 -102.785 309.786 -322.823 PRESSAVG: 1893400 8.01661 -2.14276 -49.5982 -2.14279 -8.02476 24.6499 -49.5982 24.6498 -23.0624 GPRESSAVG: 1893400 8.96486 -2.96335 -49.0121 -0.892928 -8.63507 25.2994 -50.0251 24.1394 -23.2271 TIMING: 1893400 CPU: 5972.4, 0.00311807/step Wall: 5972.4, 0.00311808/step, 2.69073 hours remaining, 238.613281 MB of memory in use. ENERGY: 1893400 4029.0832 20562.1758 14439.1460 230.9469 -203314.8000 2630.1972 0.0000 0.0000 51672.3817 -109750.8692 296.9619 -161423.2509 -109391.9395 297.9997 -129.9868 -98.9479 762484.3604 -7.6902 -7.6324 PRESSURE: 1893600 -306.569 143.853 -109.932 143.853 -498.182 53.4101 -109.931 53.4098 -71.4224 GPRESSURE: 1893600 -248.534 112.389 -155.008 171.792 -489.306 -30.1842 -54.3837 104.998 -61.761 PRESSAVG: 1893600 55.8155 -12.6938 -3.41266 -12.6937 11.7539 -28.8824 -3.41263 -28.8823 -1.3286 GPRESSAVG: 1893600 54.6735 -12.2632 -4.27707 -13.8514 12.4605 -30.1996 -4.62576 -27.8549 -1.08879 TIMING: 1893600 CPU: 5973.03, 0.0031218/step Wall: 5973.03, 0.0031218/step, 2.69377 hours remaining, 238.613281 MB of memory in use. ENERGY: 1893600 4030.1102 20322.4939 14399.1650 246.5575 -203344.9824 2577.6217 0.0000 0.0000 51793.3264 -109975.7077 297.6570 -161769.0341 -109614.9761 297.8459 -292.0577 -266.5336 763308.2428 22.0803 22.0151 PRESSURE: 1893800 54.3989 -208.59 -13.7162 -208.591 161.953 -76.6536 -13.7159 -76.6534 -204.505 GPRESSURE: 1893800 141.086 -134.237 103.638 -135.61 129.532 -69.7572 -0.433514 -55.6217 -181.978 PRESSAVG: 1893800 78.9421 -7.86672 24.0551 -7.8667 -65.5725 10.5617 24.0551 10.5618 5.85675 GPRESSAVG: 1893800 80.8813 -8.35136 23.7492 -6.89257 -66.7437 12.2916 25.3843 9.94052 5.45947 TIMING: 1893800 CPU: 5973.65, 0.00313352/step Wall: 5973.65, 0.00313352/step, 2.70371 hours remaining, 238.613281 MB of memory in use. ENERGY: 1893800 3921.0124 20389.5596 14486.6345 241.6642 -203583.8904 2667.7627 0.0000 0.0000 51990.8799 -109886.3772 298.7923 -161877.2571 -109526.7194 298.4275 3.9488 29.5469 762877.4342 6.4088 6.5323 PRESSURE: 1894000 -473.911 -76.3585 126.856 -76.3587 78.0191 125.216 126.855 125.215 50.028 GPRESSURE: 1894000 -360.905 -169.043 197.163 -28.2523 1.29358 119.021 45.4729 218.455 91.0273 PRESSAVG: 1894000 -8.4953 -46.2744 29.8183 -46.2744 -4.10297 -0.409072 29.8183 -0.408991 4.43946 GPRESSAVG: 1894000 -9.14499 -47.4966 28.7617 -46.5509 -3.52479 -1.7985 30.8259 0.684717 4.72081 TIMING: 1894000 CPU: 5974.28, 0.00312669/step Wall: 5974.28, 0.00312669/step, 2.69764 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1894000 4085.0813 20535.3230 14434.2426 242.9283 -203544.4254 2537.0021 0.0000 0.0000 51941.1199 -109768.7283 298.5063 -161709.8482 -109423.4394 298.4504 -115.2879 -89.5279 762721.2417 -2.7196 -2.6497 PRESSURE: 1894200 157.645 29.6893 88.805 29.69 -22.5023 110.34 88.8044 110.339 -108.911 GPRESSURE: 1894200 214.906 -25.0598 115.164 45.351 -4.20798 123.937 -4.43572 42.7073 -117.325 PRESSAVG: 1894200 49.2024 -37.4715 -2.22712 -37.4716 -84.8161 19.7364 -2.22714 19.7364 -37.4715 GPRESSAVG: 1894200 49.5292 -37.9548 -1.95727 -35.1432 -85.9717 18.4811 -4.3979 17.2267 -37.2831 TIMING: 1894200 CPU: 5974.91, 0.00313779/step Wall: 5974.91, 0.00313779/step, 2.70704 hours remaining, 238.613281 MB of memory in use. ENERGY: 1894200 4079.6468 20355.4435 14405.7655 233.8356 -203371.2190 2471.5940 0.0000 0.0000 51901.5888 -109923.3448 298.2791 -161824.9336 -109558.7142 298.3837 8.7438 31.1245 761203.4031 -24.3617 -24.5752 PRESSURE: 1894400 -150.978 -36.3475 156.554 -36.3474 -365.836 23.446 156.554 23.4471 -167.237 GPRESSURE: 1894400 -106.867 -37.0775 155.699 -110.212 -335.617 -17.3767 218.276 -16.2456 -133.769 PRESSAVG: 1894400 75.9535 -67.4688 13.9436 -67.4688 -76.4874 23.6598 13.9436 23.6598 11.7161 GPRESSAVG: 1894400 75.2882 -64.3535 14.7585 -69.9065 -74.9664 24.6778 14.4529 23.9647 11.1125 TIMING: 1894400 CPU: 5975.53, 0.00313713/step Wall: 5975.53, 0.00313713/step, 2.7063 hours remaining, 238.613281 MB of memory in use. ENERGY: 1894400 4010.2476 20387.1607 14460.0234 245.1043 -203312.1558 2442.9975 0.0000 0.0000 51751.6975 -110014.9247 297.4177 -161766.6223 -109653.2698 298.1033 -228.0173 -192.0841 762515.6381 3.7274 3.8115 PRESSURE: 1894600 -445.842 116.171 48.6371 116.171 -394.193 -161.598 48.6377 -161.598 -127.667 GPRESSURE: 1894600 -436.773 76.466 -21.1333 55.8387 -351.04 -193.088 -9.04657 -20.1686 -107.358 PRESSAVG: 1894600 15.8889 -23.5478 36.0213 -23.5478 10.501 49.4742 36.0213 49.4742 -4.14778 GPRESSAVG: 1894600 16.9096 -25.6646 35.5117 -22.9828 9.39809 50.1 37.1382 50.7291 -4.42863 TIMING: 1894600 CPU: 5976.16, 0.00313348/step Wall: 5976.16, 0.00313348/step, 2.70297 hours remaining, 238.613281 MB of memory in use. ENERGY: 1894600 3943.9645 20376.2867 14462.3244 245.2415 -203436.4766 2716.9388 0.0000 0.0000 51946.8106 -109744.9103 298.5390 -161691.7208 -109385.4095 298.1291 -322.5676 -298.3902 763197.8277 7.4140 7.2930 PRESSURE: 1894800 216.607 -54.5619 36.3775 -54.5627 -166.238 -173.286 36.3787 -173.286 52.4973 GPRESSURE: 1894800 314.801 -4.09731 81.3253 66.2535 -76.5006 -223.049 -63.5913 -197.266 -58.7177 PRESSAVG: 1894800 -10.8491 24.0158 -36.2055 24.0157 -15.7661 -34.8207 -36.2055 -34.8208 13.2453 GPRESSAVG: 1894800 -12.0347 24.0603 -36.9732 24.7337 -13.9529 -34.3023 -36.8301 -35.141 13.6767 TIMING: 1894800 CPU: 5976.79, 0.00312996/step Wall: 5976.79, 0.00312996/step, 2.69976 hours remaining, 238.613281 MB of memory in use. ENERGY: 1894800 4010.8685 20396.1837 14436.5976 246.7713 -203144.4980 2607.7699 0.0000 0.0000 51812.1568 -109634.1503 297.7652 -161446.3071 -109279.4284 297.8336 34.2889 59.8607 762135.6710 -4.4566 -4.1037 PRESSURE: 1895000 -45.4535 394.196 -212.923 394.196 121.868 -189.776 -212.923 -189.777 10.3131 GPRESSURE: 1895000 -42.2167 288.328 -120.064 378.039 220.517 -281.331 -103.076 -73.2477 -6.65035 PRESSAVG: 1895000 34.8497 23.4038 6.56379 23.4038 -8.81044 13.95 6.5638 13.95 -1.87804 GPRESSAVG: 1895000 35.2165 24.1739 7.43685 22.7277 -8.86302 13.5884 7.86827 11.8434 -2.1307 TIMING: 1895000 CPU: 5977.41, 0.00312488/step Wall: 5977.41, 0.00312488/step, 2.6952 hours remaining, 238.613281 MB of memory in use. ENERGY: 1895000 3923.8855 20548.5762 14424.8784 220.3751 -203688.7322 3022.3029 0.0000 0.0000 52145.2558 -109403.4582 299.6795 -161548.7141 -109041.5741 298.4369 28.9090 57.2166 761586.1728 8.0537 8.0743 PRESSURE: 1895200 89.8514 -9.68783 -122.885 -9.68804 -147.587 149.456 -122.884 149.456 104.875 GPRESSURE: 1895200 186.445 -49.4054 -79.4498 -82.057 -177.303 51.4077 -87.2139 49.47 127.588 PRESSAVG: 1895200 40.4005 32.2635 54.2725 32.2635 -5.4952 -7.42746 54.2725 -7.42748 12.2081 GPRESSAVG: 1895200 41.469 32.8255 54.2996 30.4284 -7.77985 -8.33688 54.6049 -6.54929 13.5752 TIMING: 1895200 CPU: 5978.04, 0.00314246/step Wall: 5978.04, 0.00314246/step, 2.7102 hours remaining, 238.613281 MB of memory in use. ENERGY: 1895200 3977.5471 20338.2867 14484.4569 241.0518 -203360.3735 2857.7815 0.0000 0.0000 52103.9496 -109357.3000 299.4421 -161461.2496 -108989.6053 298.8179 15.7131 45.5765 763881.6892 15.7045 15.7548 PRESSURE: 1895400 -94.6781 13.0108 299.748 13.0107 -155.149 140.005 299.748 140.005 -268.867 GPRESSURE: 1895400 -6.30541 81.1328 225.802 -25.0686 -141.876 99.3583 246.474 149.826 -250.857 PRESSAVG: 1895400 64.5496 18.9135 0.805862 18.9136 -41.5767 -48.4057 0.805862 -48.4056 -3.68985 GPRESSAVG: 1895400 63.3674 16.3615 0.741364 22.2544 -40.5143 -47.2554 0.865856 -48.7488 -3.07572 TIMING: 1895400 CPU: 5978.66, 0.00312344/step Wall: 5978.66, 0.00312344/step, 2.69362 hours remaining, 238.613281 MB of memory in use. ENERGY: 1895400 3937.7817 20443.8499 14482.2166 235.0881 -203384.2367 2605.5925 0.0000 0.0000 52254.6152 -109425.0927 300.3080 -161679.7080 -109050.0261 299.4597 -172.8978 -133.0128 762525.2093 6.4277 6.5924 PRESSURE: 1895600 10.6386 184.805 40.9217 184.805 -104.335 91.2727 40.9215 91.2731 -18.6057 GPRESSURE: 1895600 126.559 129.762 -9.88081 127.48 -142.07 135.764 104.796 63.7247 -12.9141 PRESSAVG: 1895600 5.61142 35.5718 24.3048 35.5718 -45.8535 53.2885 24.3048 53.2885 -1.83731 GPRESSAVG: 1895600 6.59988 36.1015 23.0006 32.9211 -45.7512 54.1184 22.5069 53.9079 -2.81018 TIMING: 1895600 CPU: 5979.29, 0.00312856/step Wall: 5979.29, 0.00312856/step, 2.69786 hours remaining, 238.613281 MB of memory in use. ENERGY: 1895600 3988.0718 20405.2970 14454.5399 233.2556 -203105.0939 2363.5710 0.0000 0.0000 52224.4260 -109435.9326 300.1345 -161660.3586 -109068.1227 299.1791 -37.4339 -9.4751 761918.4580 -14.0265 -13.9872 PRESSURE: 1895800 38.6044 -130.326 -84.0593 -130.326 36.824 -118.19 -84.0581 -118.189 -180.03 GPRESSURE: 1895800 130.108 -117.58 -155.457 -11.9231 31.5241 -160.563 7.38664 -72.0947 -173.768 PRESSAVG: 1895800 47.8185 -2.44071 15.405 -2.44071 -18.2521 3.61218 15.405 3.61216 18.6432 GPRESSAVG: 1895800 47.201 -3.38003 16.9591 -1.1974 -18.4559 3.47347 15.4403 2.89809 19.3368 TIMING: 1895800 CPU: 5979.92, 0.00312766/step Wall: 5979.92, 0.00312766/step, 2.69691 hours remaining, 238.613281 MB of memory in use. ENERGY: 1895800 3966.4420 20344.6008 14511.5390 243.5466 -203503.7495 2848.9215 0.0000 0.0000 52080.0468 -109508.6527 299.3047 -161588.6996 -109140.1942 298.6752 -34.8672 -4.0453 762213.8919 16.0699 16.0273 PRESSURE: 1896000 -359.994 -60.8109 154.366 -60.8122 3.7257 -161.229 154.365 -161.228 -325.318 GPRESSURE: 1896000 -414.197 -77.4318 157.531 -21.2885 71.9396 -106.095 189.676 -49.0986 -223.682 PRESSAVG: 1896000 -18.0346 -38.811 34.2136 -38.811 -0.977219 -2.55808 34.2137 -2.55808 13.2711 GPRESSAVG: 1896000 -18.7254 -37.5384 34.5141 -39.75 -0.459995 -3.05431 33.8155 -1.22368 13.4946 TIMING: 1896000 CPU: 5980.54, 0.00312084/step Wall: 5980.54, 0.00312084/step, 2.69086 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1896000 4003.7479 20312.6438 14479.2807 256.2469 -202969.8982 2277.7187 0.0000 0.0000 51860.6553 -109779.6050 298.0439 -161640.2603 -109414.5443 298.4174 -227.1954 -188.6465 762797.0209 -1.9136 -1.8969 PRESSURE: 1896200 222.772 -61.6189 -99.9502 -61.6193 -55.4985 85.2381 -99.9498 85.2373 -154.465 GPRESSURE: 1896200 236.327 -39.6796 -178.628 -122.598 -10.7382 85.6659 -2.63415 46.2689 -123.034 PRESSAVG: 1896200 -39.3498 -21.2346 18.8797 -21.2347 -29.6934 -22.8342 18.8797 -22.8341 12.754 GPRESSAVG: 1896200 -39.3608 -22.1709 16.5831 -20.9698 -29.2711 -23.508 20.223 -23.8904 11.8823 TIMING: 1896200 CPU: 5981.16, 0.0031/step Wall: 5981.16, 0.0031/step, 2.67272 hours remaining, 238.613281 MB of memory in use. ENERGY: 1896200 3975.3513 20561.3635 14457.7918 256.0384 -203612.0234 2934.7900 0.0000 0.0000 51938.7163 -109487.9721 298.4925 -161426.6884 -109128.8952 298.2442 4.2695 34.1849 761843.5951 -18.7631 -18.9165 LDB: ============= START OF LOAD BALANCING ============== 5993.55 LDB: ============== END OF LOAD BALANCING =============== 5993.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5993.55 LDB: ============= START OF LOAD BALANCING ============== 5993.87 LDB: Largest compute 7068 load 0.031526 is 16.1% of average load 0.195903 LDB: Average compute 0.004386 is 2.2% of average load 0.195903 LDB: TIME 5993.87 LOAD: AVG 0.195903 MAX 0.224811 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.801 MB LDB: TIME 5993.87 LOAD: AVG 0.195903 MAX 0.224811 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.84 MB LDB: TIME 5993.87 LOAD: AVG 0.195903 MAX 0.224811 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5993.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5993.88 PRESSURE: 1896400 -78.5564 1.8593 204.623 1.85921 -206.177 96.3458 204.623 96.3453 -495.939 GPRESSURE: 1896400 82.1534 -26.9401 175.328 -26.633 -302.174 180.775 121.493 133.893 -475.266 PRESSAVG: 1896400 0.830215 -15.766 28.5448 -15.766 -59.5431 -0.418174 28.5448 -0.418136 2.26561 GPRESSAVG: 1896400 0.539345 -13.4646 30.1574 -16.2688 -59.1909 1.62402 28.9211 -2.95292 2.45213 TIMING: 1896400 CPU: 5981.79, 0.00317513/step Wall: 5981.79, 0.00317513/step, 2.73732 hours remaining, 237.839844 MB of memory in use. ENERGY: 1896400 4019.3284 20399.1230 14447.8613 256.3473 -203260.2942 2517.5413 0.0000 0.0000 51971.9514 -109648.1415 298.6835 -161620.0930 -109285.5358 298.8002 -260.2241 -231.7619 763145.6608 -18.8157 -18.7332 PRESSURE: 1896600 -45.9782 -101.958 26.5314 -101.958 -99.1235 -97.7384 26.5318 -97.7383 -198.132 GPRESSURE: 1896600 -29.3824 -92.9523 74.5989 -205.79 -30.4082 -153.162 102.726 -100.002 -213.156 PRESSAVG: 1896600 8.24784 -16.0809 4.68349 -16.081 -17.8921 -9.84124 4.68348 -9.84129 8.50755 GPRESSAVG: 1896600 9.10798 -17.6828 3.14914 -15.1588 -18.6207 -11.4491 4.53715 -6.63241 8.02658 TIMING: 1896600 CPU: 5982.42, 0.00312157/step Wall: 5982.42, 0.00312157/step, 2.69096 hours remaining, 237.839844 MB of memory in use. ENERGY: 1896600 3996.2098 20485.2251 14373.8903 257.5180 -203347.3266 2698.7130 0.0000 0.0000 51923.7364 -109612.0339 298.4064 -161535.7703 -109255.2972 298.4495 -114.4112 -90.9823 764533.3758 -0.3789 -0.4954 PRESSURE: 1896800 -142.204 -62.2445 -55.961 -62.2445 -3.57158 -227.233 -55.9612 -227.232 -262.033 GPRESSURE: 1896800 -105.734 -128.838 -98.179 -141.946 63.2043 -185.072 65.5717 -214.397 -286.261 PRESSAVG: 1896800 -8.13723 -37.2081 3.76682 -37.2082 10.3269 -23.0668 3.76677 -23.0668 -6.91143 GPRESSAVG: 1896800 -8.2435 -35.46 3.55551 -37.9949 10.8132 -23.1315 4.14188 -23.6513 -7.09172 TIMING: 1896800 CPU: 5983.04, 0.00312929/step Wall: 5983.04, 0.00312929/step, 2.69744 hours remaining, 237.839844 MB of memory in use. ENERGY: 1896800 3989.3481 20547.0601 14373.8451 231.7829 -203349.4518 2545.5653 0.0000 0.0000 52094.3817 -109567.4687 299.3871 -161661.8504 -109193.8765 298.7367 -135.9362 -109.5971 762913.9618 -1.5739 -1.5074 PRESSURE: 1897000 -100.924 -256.727 18.3399 -256.727 106.447 -109.588 18.3394 -109.587 -137.933 GPRESSURE: 1897000 -20.5516 -196.063 28.9142 -209.373 106.261 -170.468 13.357 -113.377 -120.181 PRESSAVG: 1897000 55.1306 -9.77675 -1.79524 -9.77672 -10.5845 -10.0761 -1.79527 -10.0762 -17.307 GPRESSAVG: 1897000 54.7654 -11.5331 -0.199475 -9.84594 -9.47205 -10.1143 -2.33534 -9.06358 -17.3382 TIMING: 1897000 CPU: 5983.67, 0.00311396/step Wall: 5983.67, 0.00311396/step, 2.68406 hours remaining, 237.839844 MB of memory in use. ENERGY: 1897000 4030.9034 20370.9848 14479.8350 251.5273 -203246.9971 2709.8603 0.0000 0.0000 51785.1389 -109618.7474 297.6099 -161403.8863 -109261.6915 298.7138 -44.1366 -11.4908 762485.3832 9.0797 9.3184 PRESSURE: 1897200 -133.17 -214.355 119.1 -214.355 -161.876 -10.6259 119.101 -10.6266 -120.143 GPRESSURE: 1897200 -93.9755 -159.73 117.241 -213.036 -120.279 135.683 49.2966 1.15447 -111.807 PRESSAVG: 1897200 51.9673 -47.5733 -20.7564 -47.5733 -30.7738 22.8024 -20.7564 22.8023 2.07417 GPRESSAVG: 1897200 52.1714 -49.0573 -20.6386 -45.0609 -31.1446 21.9392 -20.5086 23.7965 2.49811 TIMING: 1897200 CPU: 5984.29, 0.00312779/step Wall: 5984.29, 0.00312779/step, 2.69581 hours remaining, 237.839844 MB of memory in use. ENERGY: 1897200 4008.5809 20606.4735 14406.1994 232.4094 -203417.0203 2663.0884 0.0000 0.0000 51760.5906 -109739.6780 297.4688 -161500.2686 -109380.0220 298.0340 -138.3962 -108.6869 761345.1115 7.7559 7.8416 PRESSURE: 1897400 -77.4179 40.2622 -59.8472 40.2617 14.7385 44.9035 -59.8471 44.9033 -167.999 GPRESSURE: 1897400 67.9484 -51.3292 -184.993 58.0025 -40.1993 120.693 -53.9017 15.1912 -168.391 PRESSAVG: 1897400 47.3769 -74.6975 -3.51776 -74.6975 -44.381 29.5348 -3.51769 29.5348 -21.5437 GPRESSAVG: 1897400 46.5983 -73.0481 -4.67769 -74.6181 -44.815 30.5017 -4.69792 26.6339 -20.0059 TIMING: 1897400 CPU: 5984.92, 0.00311887/step Wall: 5984.92, 0.00311887/step, 2.68795 hours remaining, 237.839844 MB of memory in use. ENERGY: 1897400 3948.0457 20438.6635 14365.3437 238.5012 -202728.7626 2257.3722 0.0000 0.0000 51807.1669 -109673.6694 297.7365 -161480.8362 -109306.4817 298.2104 -76.8930 -46.8808 762797.1778 -6.1826 -6.0742 PRESSURE: 1897600 94.9679 83.0222 88.1871 83.0221 -169.203 83.4311 88.1873 83.4313 118.06 GPRESSURE: 1897600 23.3406 55.6565 42.9857 -3.57704 -73.6844 50.8974 171.421 113.194 171.47 PRESSAVG: 1897600 55.9946 -13.6189 17.5386 -13.6189 -37.8535 -12.6456 17.5386 -12.6456 0.745272 GPRESSAVG: 1897600 56.8788 -13.0884 16.6284 -15.6621 -36.5618 -13.1345 18.6916 -11.7607 -1.08448 TIMING: 1897600 CPU: 5985.54, 0.00313013/step Wall: 5985.54, 0.00313013/step, 2.69747 hours remaining, 237.839844 MB of memory in use. ENERGY: 1897600 4044.6841 20535.9494 14448.9750 257.5546 -202985.2947 2424.3209 0.0000 0.0000 51761.8593 -109511.9514 297.4761 -161273.8107 -109156.6580 298.0916 14.6083 40.3753 762158.5611 6.2954 6.4108 PRESSURE: 1897800 57.3458 35.2256 67.3209 35.2255 -257.441 -46.4066 67.3209 -46.4067 -104.963 GPRESSURE: 1897800 44.3341 -55.9155 34.1849 -3.74697 -178.584 -40.8975 110.093 -14.9915 -106.242 PRESSAVG: 1897800 101.962 -66.6026 24.5907 -66.6026 -65.9898 5.83841 24.5908 5.83842 -8.37853 GPRESSAVG: 1897800 100.66 -68.5052 25.8879 -64.1984 -65.04 5.27185 24.4071 4.85616 -7.28841 TIMING: 1897800 CPU: 5986.17, 0.00313988/step Wall: 5986.17, 0.00313988/step, 2.70571 hours remaining, 237.839844 MB of memory in use. ENERGY: 1897800 4048.8572 20402.5880 14462.8505 246.4113 -203070.0282 2472.5871 0.0000 0.0000 51877.0152 -109559.7188 298.1379 -161436.7340 -109201.7100 298.7260 -101.6858 -80.1643 761787.8110 9.1977 9.4437 PRESSURE: 1898000 274.597 3.97081 -157.003 3.97043 -336.519 142.022 -157.002 142.022 377.19 GPRESSURE: 1898000 250.505 -148.907 -119.092 21.6519 -173.992 105.028 -178.125 8.57448 319.542 PRESSAVG: 1898000 36.5648 -40.5812 7.43903 -40.5812 -18.6146 16.0558 7.43905 16.0557 13.9561 GPRESSAVG: 1898000 36.3332 -38.9923 6.52587 -42.497 -18.4901 16.9465 7.35607 17.1113 13.959 TIMING: 1898000 CPU: 5986.8, 0.0031284/step Wall: 5986.8, 0.0031284/step, 2.69564 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1898000 4037.8719 20498.6343 14448.5584 255.3244 -203121.5489 2574.2891 0.0000 0.0000 51886.9356 -109419.9352 298.1949 -161306.8708 -109059.8529 298.2413 105.0892 132.0184 763863.9700 10.6354 10.6007 PRESSURE: 1898200 -144.566 -197.464 53.0059 -197.464 -75.7691 41.7432 53.0058 41.7434 35.8966 GPRESSURE: 1898200 -33.6184 -183.437 122.252 -4.7189 -53.9973 57.7149 26.2638 -79.1656 5.98324 PRESSAVG: 1898200 -30.2554 -69.4881 -18.0423 -69.4881 18.756 17.5834 -18.0422 17.5834 -2.32721 GPRESSAVG: 1898200 -29.6634 -69.9041 -16.1348 -69.6384 17.5133 17.3992 -19.1389 18.3595 -1.60927 TIMING: 1898200 CPU: 5987.42, 0.00313528/step Wall: 5987.42, 0.00313528/step, 2.7014 hours remaining, 237.839844 MB of memory in use. ENERGY: 1898200 3989.8309 20349.1793 14498.8643 256.4925 -203487.0926 2789.0995 0.0000 0.0000 52195.1799 -109408.4462 299.9664 -161603.6261 -109041.9344 298.8586 -61.4796 -27.2108 762076.4407 -4.6089 -4.5864 PRESSURE: 1898400 228.811 33.6586 6.34384 33.6586 84.5632 -64.7967 6.34331 -64.7959 -208.437 GPRESSURE: 1898400 226.202 22.7796 10.6304 36.3176 65.6814 -74.9638 56.1573 -10.2379 -123.215 PRESSAVG: 1898400 26.9169 -31.5828 9.56827 -31.5829 -31.7158 -6.14955 9.56823 -6.14951 -8.63906 GPRESSAVG: 1898400 27.7124 -30.5569 8.75645 -28.0071 -31.2771 -5.17756 11.0491 -7.03738 -9.20517 TIMING: 1898400 CPU: 5988.05, 0.00312605/step Wall: 5988.05, 0.00312605/step, 2.69327 hours remaining, 237.839844 MB of memory in use. ENERGY: 1898400 3900.9561 20340.2067 14515.5623 234.6235 -203130.0823 2574.6185 0.0000 0.0000 52116.1667 -109447.9485 299.5123 -161564.1152 -109083.1870 299.0139 34.9792 56.2228 762679.7898 -4.4793 -4.2566 PRESSURE: 1898600 -444.27 118.844 -90.3745 118.843 1.59145 -83.9158 -90.3743 -83.9158 93.0124 GPRESSURE: 1898600 -355.985 123.78 -49.5202 106.423 27.7405 -77.9608 -193.698 -8.46358 57.2392 PRESSAVG: 1898600 6.99408 -27.2751 11.469 -27.2752 -36.5893 60.8201 11.469 60.8201 6.46374 GPRESSAVG: 1898600 6.52921 -28.4845 11.0462 -30.6 -37.04 60.4838 11.5222 60.2205 6.50702 TIMING: 1898600 CPU: 5988.67, 0.00312863/step Wall: 5988.67, 0.00312863/step, 2.69531 hours remaining, 237.839844 MB of memory in use. ENERGY: 1898600 3985.7753 20471.9463 14528.5652 255.6881 -203299.8485 2548.8115 0.0000 0.0000 52021.0359 -109488.0261 298.9656 -161509.0621 -109144.1743 298.4779 -116.5554 -90.3350 760598.7843 -7.7105 -8.0013 PRESSURE: 1898800 -225.83 -55.515 -2.56781 -55.5147 -166.834 2.93128 -2.5681 2.9311 -6.83398 GPRESSURE: 1898800 -124.542 93.0924 -87.8322 66.8274 -212.89 39.0614 44.9101 14.8194 31.5363 PRESSAVG: 1898800 27.938 -19.0572 38.8964 -19.0572 -44.6651 0.180206 38.8964 0.18025 -24.2791 GPRESSAVG: 1898800 29.126 -17.9256 40.0127 -16.7083 -45.4526 -0.119839 37.0706 1.23489 -24.4177 TIMING: 1898800 CPU: 5989.3, 0.003134/step Wall: 5989.3, 0.003134/step, 2.69976 hours remaining, 237.839844 MB of memory in use. ENERGY: 1898800 4035.0426 20324.3632 14494.4864 234.9956 -202970.1462 2483.9706 0.0000 0.0000 52069.7405 -109327.5473 299.2455 -161397.2877 -108970.8293 299.0745 -133.1662 -101.9651 762327.9368 -13.6687 -13.5814 PRESSURE: 1899000 192.227 -26.6983 -32.6194 -26.6974 14.2247 -100.724 -32.6195 -100.725 156.67 GPRESSURE: 1899000 129.646 8.51038 14.623 -63.3836 100.711 -8.56764 38.2744 -128.764 202.465 PRESSAVG: 1899000 -8.50456 -41.6076 47.7094 -41.6076 0.316179 23.2657 47.7094 23.2657 -2.15095 GPRESSAVG: 1899000 -9.75183 -44.118 46.1824 -42.3909 0.906372 23.5841 52.1382 23.1618 -1.60278 TIMING: 1899000 CPU: 5989.93, 0.0031377/step Wall: 5989.93, 0.0031377/step, 2.70278 hours remaining, 237.839844 MB of memory in use. ENERGY: 1899000 3946.0877 20530.5113 14619.7675 255.5965 -203643.8386 2832.3376 0.0000 0.0000 52004.5062 -109455.0318 298.8706 -161459.5381 -109101.5221 299.0609 121.0405 144.2740 760687.6733 -3.4464 -3.4827 PRESSURE: 1899200 92.1489 17.3224 150.648 17.322 -375.133 -54.9682 150.648 -54.9701 149.207 GPRESSURE: 1899200 48.6065 -39.7439 147.653 126.051 -133.448 -22.5485 15.4621 -51.9308 28.8725 PRESSAVG: 1899200 -7.58887 32.6473 19.9586 32.6472 21.6286 27.6558 19.9586 27.6558 18.8791 GPRESSAVG: 1899200 -8.4854 34.5401 20.4608 32.5806 23.2414 28.8728 18.8933 27.8044 18.4937 TIMING: 1899200 CPU: 5990.55, 0.00312741/step Wall: 5990.55, 0.00312741/step, 2.69374 hours remaining, 237.839844 MB of memory in use. ENERGY: 1899200 3961.6000 20534.7896 14535.9225 253.9022 -203270.4705 2472.2692 0.0000 0.0000 51950.9216 -109561.0653 298.5627 -161511.9869 -109205.5263 299.0864 -44.5925 -18.6563 761332.3929 10.9730 11.0832 PRESSURE: 1899400 -6.64881 140.389 -40.6844 140.389 -96.8263 -23.2216 -40.6842 -23.2232 17.8363 GPRESSURE: 1899400 19.2421 161.211 -80.1605 158.39 -57.9804 -7.57485 -83.3074 -76.4559 41.0698 PRESSAVG: 1899400 39.3209 -22.9191 6.21202 -22.9191 -9.80787 48.3861 6.21206 48.3861 -8.58104 GPRESSAVG: 1899400 41.6705 -24.0782 5.91048 -23.6301 -11.2639 47.9172 4.5237 46.7654 -9.3533 TIMING: 1899400 CPU: 5991.18, 0.00313658/step Wall: 5991.18, 0.00313658/step, 2.70146 hours remaining, 237.839844 MB of memory in use. ENERGY: 1899400 3855.4077 20328.9946 14470.8175 254.1841 -203416.7003 2658.2691 0.0000 0.0000 52062.9358 -109786.0916 299.2064 -161849.0274 -109417.0581 298.8819 -28.5463 0.7772 761220.4978 6.9773 7.0177 PRESSURE: 1899600 -288.239 -45.0092 -86.2183 -45.0088 128.328 -49.4663 -86.2172 -49.4663 66.6283 GPRESSURE: 1899600 -137.442 -88.3417 -57.7218 -8.74423 88.0017 -62.6209 -131.85 -30.3647 35.5785 PRESSAVG: 1899600 -4.26862 -59.2876 -22.9086 -59.2875 18.3419 -12.6093 -22.9086 -12.6092 13.9026 GPRESSAVG: 1899600 -5.57654 -59.0447 -20.8939 -57.5081 19.0871 -13.6109 -24.1832 -11.899 14.4447 TIMING: 1899600 CPU: 5991.81, 0.00312286/step Wall: 5991.81, 0.00312286/step, 2.68948 hours remaining, 237.839844 MB of memory in use. ENERGY: 1899600 3938.1945 20534.7627 14456.2246 230.6852 -203067.8120 2411.9571 0.0000 0.0000 51767.5315 -109728.4563 297.5087 -161495.9878 -109385.2753 298.2516 -31.0942 -4.6206 761560.3032 9.3253 9.3184 PRESSURE: 1899800 345.539 -91.2427 -42.1873 -91.2422 27.0881 -26.6993 -42.1884 -26.6998 -178.526 GPRESSURE: 1899800 236.645 -111.797 -39.9693 -179.482 176.627 -39.886 -173.244 -87.2741 -130.641 PRESSAVG: 1899800 -5.28116 -5.04793 -19.8975 -5.04788 27.7489 2.97159 -19.8976 2.97167 -4.06008 GPRESSAVG: 1899800 -7.594 -4.21172 -19.884 -7.97949 28.7835 2.63924 -20.4136 4.08693 -2.73608 TIMING: 1899800 CPU: 5992.43, 0.00312534/step Wall: 5992.43, 0.00312534/step, 2.69144 hours remaining, 237.839844 MB of memory in use. ENERGY: 1899800 3952.5836 20326.5160 14532.9165 246.3290 -203332.9674 2499.4214 0.0000 0.0000 52091.4972 -109683.7037 299.3706 -161775.2009 -109309.6321 298.4161 64.7003 94.2104 761410.8800 6.1359 6.1511 PRESSURE: 1900000 -242.741 233.983 1.63722 233.982 -161.184 241.765 1.63615 241.765 -52.5847 GPRESSURE: 1900000 -208.467 180.383 28.7121 141.851 -81.7653 150.362 59.2085 235.69 -84.1685 PRESSAVG: 1900000 -0.181645 -26.0508 -6.36063 -26.0509 18.9679 -42.3797 -6.36065 -42.3798 9.71573 GPRESSAVG: 1900000 2.36635 -25.4315 -7.06667 -25.0885 18.1452 -43.216 -4.06524 -43.0483 7.79629 TIMING: 1900000 CPU: 5993.06, 0.00314111/step Wall: 5993.06, 0.00314111/step, 2.70485 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1900000 3948.1831 20437.0186 14546.2708 264.1958 -203138.1357 2376.6629 0.0000 0.0000 52088.9400 -109476.8646 299.3559 -161565.8046 -109104.9353 298.8211 -152.1697 -124.8003 762671.3188 9.5007 9.4360 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1900200 87.0734 48.8346 30.5932 48.8344 126.034 130.555 30.593 130.555 -126.44 GPRESSURE: 1900200 114.366 -58.0596 -83.6788 -48.9354 186.297 87.2836 21.1595 121.634 -125.457 PRESSAVG: 1900200 33.6532 -2.60282 35.2002 -2.60277 15.5711 20.1866 35.2002 20.1866 14.1346 GPRESSAVG: 1900200 32.7902 -2.24177 33.0736 -0.322363 15.7768 21.6883 33.4068 20.2792 14.6539 TIMING: 1900200 CPU: 5993.7, 0.00322763/step Wall: 5993.7, 0.00322763/step, 2.77917 hours remaining, 237.839844 MB of memory in use. ENERGY: 1900200 3920.5745 20603.5727 14509.2679 263.1576 -203339.2793 2781.8931 0.0000 0.0000 51810.2528 -109450.5607 297.7542 -161260.8135 -109098.0242 298.5121 28.8892 58.4020 762811.5290 21.1196 21.0736 LDB: ============= START OF LOAD BALANCING ============== 6006.1 LDB: ============== END OF LOAD BALANCING =============== 6006.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6006.1 LDB: ============= START OF LOAD BALANCING ============== 6006.42 LDB: Largest compute 7071 load 0.032013 is 16.3% of average load 0.195947 LDB: Average compute 0.004403 is 2.2% of average load 0.195947 LDB: TIME 6006.42 LOAD: AVG 0.195947 MAX 0.21877 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.633 MB LDB: TIME 6006.42 LOAD: AVG 0.195947 MAX 0.21877 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: TIME 6006.42 LOAD: AVG 0.195947 MAX 0.21877 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6006.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6006.43 PRESSURE: 1900400 259.152 -90.8466 20.2254 -90.8464 -66.7723 -89.211 20.2254 -89.2111 99.083 GPRESSURE: 1900400 276.739 -99.1881 60.3998 -116.293 -0.922437 -90.3782 51.6387 -128.037 101.717 PRESSAVG: 1900400 6.96003 -42.6058 11.8546 -42.6058 -4.13863 -34.6394 11.8547 -34.6393 12.7151 GPRESSAVG: 1900400 7.76784 -42.3131 12.1001 -45.381 -5.11469 -35.2822 12.4976 -34.1088 12.8759 TIMING: 1900400 CPU: 5994.34, 0.00319783/step Wall: 5994.34, 0.00319783/step, 2.75333 hours remaining, 239.691406 MB of memory in use. ENERGY: 1900400 4022.9186 20528.7930 14494.6482 211.9631 -203309.6854 2882.1048 0.0000 0.0000 51694.8931 -109474.3645 297.0913 -161169.2576 -109117.2142 298.6253 97.1542 125.8443 760164.3912 5.1788 5.1764 PRESSURE: 1900600 9.47691 -64.6763 301.943 -64.6759 290.041 -30.9814 301.944 -30.9815 -321.215 GPRESSURE: 1900600 133.054 -188.056 294.539 -110.93 225.078 28.4029 356.57 -2.44208 -293.876 PRESSAVG: 1900600 2.19973 -49.4646 -20.2726 -49.4647 39.8712 -17.7715 -20.2727 -17.7715 14.5021 GPRESSAVG: 1900600 2.8256 -48.7059 -19.4452 -48.4053 39.5331 -17.819 -19.9669 -19.4046 14.2398 TIMING: 1900600 CPU: 5994.97, 0.00311967/step Wall: 5994.97, 0.00311967/step, 2.68586 hours remaining, 239.894531 MB of memory in use. ENERGY: 1900600 3943.4986 20368.1859 14521.0787 245.0481 -202748.2795 2518.1945 0.0000 0.0000 51793.8032 -109358.4706 297.6597 -161152.2737 -108997.5111 298.4954 -7.2325 21.4186 764456.0651 18.8577 18.8662 PRESSURE: 1900800 -136.69 -93.4019 -51.7839 -93.4024 -117.304 -224.752 -51.7838 -224.751 13.6139 GPRESSURE: 1900800 14.9764 -67.0367 -122.745 -83.0672 -120.054 -221.039 -139.224 -15.8148 -45.7549 PRESSAVG: 1900800 -41.3391 -59.2585 -35.4854 -59.2585 52.0205 -34.0486 -35.4854 -34.0485 12.7697 GPRESSAVG: 1900800 -42.0339 -59.3523 -36.6703 -61.1808 51.601 -31.9211 -32.994 -32.9342 13.5209 TIMING: 1900800 CPU: 5995.6, 0.00313864/step Wall: 5995.6, 0.00313864/step, 2.70202 hours remaining, 239.894531 MB of memory in use. ENERGY: 1900800 3948.9710 20420.3466 14483.2724 231.9967 -203067.4343 2407.4911 0.0000 0.0000 52102.9739 -109472.3826 299.4365 -161575.3565 -109104.5386 298.3230 -80.1270 -50.2774 762516.2983 7.8171 7.6960 PRESSURE: 1901000 -183.483 -166.193 -72.2473 -166.193 -222.61 -46.5485 -72.2475 -46.549 -103.354 GPRESSURE: 1901000 -179.256 -116.768 -68.8862 -147.072 -156.753 -6.24752 -112.694 55.845 -103.854 PRESSAVG: 1901000 -38.6716 -54.9543 59.1338 -54.9544 24.9491 15.3585 59.1338 15.3586 -30.0109 GPRESSAVG: 1901000 -40.6541 -55.2668 61.5069 -54.1226 26.2404 15.2723 56.1562 16.8607 -29.2596 TIMING: 1901000 CPU: 5996.23, 0.00314619/step Wall: 5996.23, 0.00314619/step, 2.70834 hours remaining, 239.894531 MB of memory in use. ENERGY: 1901000 3987.0555 20512.6862 14508.9423 232.5295 -203027.7494 2503.2771 0.0000 0.0000 51791.0668 -109492.1921 297.6440 -161283.2589 -109138.8845 298.4333 -169.8156 -146.6210 765181.4391 -14.5778 -14.5578 PRESSURE: 1901200 -34.963 -86.4993 21.3912 -86.499 -195.112 414.564 21.3902 414.563 135.498 GPRESSURE: 1901200 -46.9072 -44.8909 2.39949 -100.522 -146.588 473.791 13.2056 300.378 174.165 PRESSAVG: 1901200 -46.1461 -77.4362 -4.90181 -77.4363 33.4225 20.4002 -4.90187 20.4002 23.8353 GPRESSAVG: 1901200 -44.3987 -78.4549 -5.44478 -77.3801 32.7144 21.6806 -3.02858 18.732 22.917 TIMING: 1901200 CPU: 5996.85, 0.0031198/step Wall: 5996.85, 0.0031198/step, 2.68546 hours remaining, 239.894531 MB of memory in use. ENERGY: 1901200 3925.0098 20488.9390 14471.5173 254.9797 -203098.1241 2663.2117 0.0000 0.0000 52043.9707 -109250.4958 299.0974 -161294.4665 -108885.9068 298.9426 -31.5257 -6.4435 763581.5236 3.7039 3.7443 PRESSURE: 1901400 -22.0023 -101.571 -145.267 -101.571 -89.3131 -26.6029 -145.267 -26.6026 -124.024 GPRESSURE: 1901400 -6.51695 -91.709 -111.569 -53.7097 -63.1489 71.7795 -186.576 16.2197 -84.7379 PRESSAVG: 1901400 -78.846 -14.935 83.8284 -14.935 81.4967 47.6518 83.8284 47.6517 -6.24897 GPRESSAVG: 1901400 -80.1267 -13.9488 84.032 -13.8477 82.5356 46.8108 84.3914 47.4816 -5.67089 TIMING: 1901400 CPU: 5997.47, 0.00312404/step Wall: 5997.47, 0.00312404/step, 2.68893 hours remaining, 239.894531 MB of memory in use. ENERGY: 1901400 3974.6073 20478.6202 14527.7081 243.1860 -203018.6989 2569.0208 0.0000 0.0000 52065.6017 -109159.9547 299.2217 -161225.5564 -108804.7997 299.2365 -78.4464 -51.4679 762132.1477 -1.1994 -1.0873 PRESSURE: 1901600 -67.5262 -17.2513 143.563 -17.2519 -152.606 46.3633 143.563 46.3634 -190.175 GPRESSURE: 1901600 -91.7515 -41.6981 199.361 -27.9454 -3.01975 19.9122 54.3897 3.76417 -227.739 PRESSAVG: 1901600 -43.4705 -42.0821 -9.27286 -42.0821 6.41641 23.2899 -9.27288 23.29 -14.9164 GPRESSAVG: 1901600 -42.1997 -40.1813 -9.24447 -43.8936 6.21232 22.7052 -10.1377 23.1252 -16.3099 TIMING: 1901600 CPU: 5998.1, 0.00313522/step Wall: 5998.1, 0.00313522/step, 2.69838 hours remaining, 239.894531 MB of memory in use. ENERGY: 1901600 4001.4024 20523.8878 14495.9161 249.0224 -203040.3386 2656.6567 0.0000 0.0000 52009.6829 -109103.7702 298.9004 -161113.4532 -108741.5831 299.7726 -136.7689 -107.5033 763047.1816 -17.3235 -17.4324 PRESSURE: 1901800 -74.6088 41.7122 -81.8429 41.7124 -182.259 -161.081 -81.8424 -161.081 5.94614 GPRESSURE: 1901800 9.86146 -35.4558 -51.0194 61.1505 -135.053 -121.731 -65.8511 -159.196 -40.5526 PRESSAVG: 1901800 -9.96303 0.864601 42.5431 0.864585 -36.8564 18.7104 42.5431 18.7105 -0.450315 GPRESSAVG: 1901800 -11.1667 -1.72536 41.0682 2.49274 -36.2384 16.2437 42.8696 19.3547 0.588816 TIMING: 1901800 CPU: 5998.72, 0.0031102/step Wall: 5998.72, 0.0031102/step, 2.67667 hours remaining, 239.894531 MB of memory in use. ENERGY: 1901800 3972.0323 20514.6113 14503.5960 261.9907 -203156.1914 2770.6525 0.0000 0.0000 52025.3237 -109107.9849 298.9903 -161133.3086 -108748.6867 299.5017 -83.6405 -55.2481 763281.2125 -15.7566 -15.6054 PRESSURE: 1902000 -67.6854 10.487 191.76 10.4861 52.5057 -74.7782 191.76 -74.7786 125.897 GPRESSURE: 1902000 -56.5692 -26.3859 191.271 71.5138 88.5284 11.8751 102.077 -70.8717 178.796 PRESSAVG: 1902000 1.90114 1.93869 19.5246 1.93867 21.9586 9.40126 19.5246 9.40121 -17.7082 GPRESSAVG: 1902000 1.50366 0.886982 19.4456 1.63568 21.2104 12.0437 19.5761 7.09956 -16.7745 TIMING: 1902000 CPU: 5999.35, 0.00311787/step Wall: 5999.35, 0.00311787/step, 2.6831 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1902000 3951.5465 20571.6834 14489.4126 220.2224 -202893.4059 2575.6137 0.0000 0.0000 52090.8350 -108994.0923 299.3667 -161084.9273 -108639.3111 299.6868 36.9058 70.2518 763379.6560 2.0505 1.9799 PRESSURE: 1902200 -79.1451 45.396 58.6448 45.3952 -101.621 1.15451 58.6449 1.15435 -39.5823 GPRESSURE: 1902200 -122.81 -44.1132 -29.2032 148.122 -6.86764 -85.8301 94.5843 -32.6818 7.22294 PRESSAVG: 1902200 -6.51559 35.1526 49.0928 35.1526 41.6307 34.18 49.0928 34.1801 3.25271 GPRESSAVG: 1902200 -6.47734 35.9648 51.5046 34.7127 41.5786 34.0552 47.5938 34.1363 3.32534 TIMING: 1902200 CPU: 5999.97, 0.00312202/step Wall: 5999.97, 0.00312202/step, 2.6865 hours remaining, 239.894531 MB of memory in use. ENERGY: 1902200 3938.3025 20461.1575 14474.0720 229.4153 -203373.2656 2739.5331 0.0000 0.0000 52069.6714 -109461.1138 299.2451 -161530.7852 -109100.0947 299.3242 -73.4494 -40.8183 763392.6993 12.7893 12.8089 PRESSURE: 1902400 -491.978 139.716 203.541 139.715 -210.315 -5.36126 203.54 -5.36037 -119.341 GPRESSURE: 1902400 -366.953 169.988 142.188 -20.4543 -279.316 -47.2188 123.358 -48.7727 -105.256 PRESSAVG: 1902400 17.6815 17.8701 21.3184 17.8701 -6.75911 -31.1323 21.3183 -31.1324 11.5558 GPRESSAVG: 1902400 19.5661 18.0651 19.3436 18.6083 -7.46445 -32.2814 23.6215 -29.5633 11.1499 TIMING: 1902400 CPU: 6000.6, 0.00312345/step Wall: 6000.6, 0.00312345/step, 2.68756 hours remaining, 239.894531 MB of memory in use. ENERGY: 1902400 3953.6076 20669.3952 14415.1843 235.5277 -203158.4835 2466.7856 0.0000 0.0000 51873.2748 -109544.7082 298.1164 -161417.9830 -109194.0664 298.7106 -273.8781 -250.5080 763431.9263 7.4927 7.7505 PRESSURE: 1902600 68.6772 -108.842 -235.259 -108.842 -115.077 -280.327 -235.26 -280.327 -203.164 GPRESSURE: 1902600 175.282 58.9853 -174.984 -58.9377 -103.391 -224.047 -91.3714 -271.526 -220.935 PRESSAVG: 1902600 33.9718 21.7389 21.1466 21.7389 -34.815 -6.77168 21.1466 -6.77163 -8.42283 GPRESSAVG: 1902600 34.2198 23.4691 21.982 18.2758 -35.3604 -6.19983 21.0459 -7.4856 -8.19865 TIMING: 1902600 CPU: 6001.22, 0.00313392/step Wall: 6001.22, 0.00313392/step, 2.69639 hours remaining, 239.894531 MB of memory in use. ENERGY: 1902600 3985.7461 20338.9801 14482.8415 244.7993 -203496.6334 2829.2995 0.0000 0.0000 51834.4897 -109780.4772 297.8935 -161614.9669 -109419.3094 297.8659 -83.1880 -49.6813 764455.1096 -3.0887 -3.1131 PRESSURE: 1902800 -233.866 -253.77 14.4963 -253.77 75.7236 -7.98703 14.496 -7.98748 28.3065 GPRESSURE: 1902800 -143.442 -182.861 21.6563 -251.492 47.7124 -57.1236 85.433 36.6011 63.9177 PRESSAVG: 1902800 -16.9 -31.5768 1.14648 -31.5768 17.4813 19.2613 1.14648 19.2612 12.8609 GPRESSAVG: 1902800 -17.8106 -32.0847 1.45787 -31.3181 17.6403 19.92 -0.0112574 19.6755 13.1282 TIMING: 1902800 CPU: 6001.85, 0.00312262/step Wall: 6001.85, 0.00312262/step, 2.6865 hours remaining, 239.894531 MB of memory in use. ENERGY: 1902800 3963.5584 20520.2860 14423.4711 261.6149 -203435.1917 2713.8612 0.0000 0.0000 51948.6849 -109603.7152 298.5498 -161552.4001 -109230.0239 298.4515 -43.2787 -10.6039 763823.7637 4.4808 4.3193 PRESSURE: 1903000 359.808 -137.607 81.4921 -137.607 -98.8433 166.781 81.4919 166.781 -320.38 GPRESSURE: 1903000 297.993 -79.9669 -1.93577 -136.208 -51.0429 180.961 81.7314 110.979 -217.077 PRESSAVG: 1903000 28.2013 0.660365 63.6159 0.660366 -43.7062 -36.2997 63.6159 -36.2997 -0.101187 GPRESSAVG: 1903000 29.049 0.248775 63.2723 2.882 -43.0223 -37.3895 62.5705 -34.1185 -1.29637 TIMING: 1903000 CPU: 6002.48, 0.00314311/step Wall: 6002.48, 0.00314311/step, 2.70395 hours remaining, 239.894531 MB of memory in use. ENERGY: 1903000 3985.4456 20427.8172 14473.3148 271.5215 -202961.0205 2452.0632 0.0000 0.0000 51881.4364 -109469.4217 298.1633 -161350.8581 -109115.7896 298.5723 -19.8054 9.9579 761950.2980 -5.2020 -5.0899 PRESSURE: 1903200 117.588 -82.4502 25.1958 -82.4506 -146.541 -16.7973 25.1956 -16.7971 -202.977 GPRESSURE: 1903200 105.425 -50.82 64.4029 -35.4951 -86.1979 -21.7037 74.7266 -69.0526 -180.398 PRESSAVG: 1903200 72.9152 8.81014 49.1714 8.81015 -95.61 33.7388 49.1715 33.7387 -23.4278 GPRESSAVG: 1903200 71.653 8.28251 48.2201 7.92779 -94.9731 34.528 51.293 32.12 -22.5742 TIMING: 1903200 CPU: 6003.1, 0.00311883/step Wall: 6003.1, 0.00311883/step, 2.68289 hours remaining, 239.894531 MB of memory in use. ENERGY: 1903200 3989.6219 20374.9278 14458.7822 242.0782 -203235.1747 2571.4949 0.0000 0.0000 52124.3413 -109473.9284 299.5593 -161598.2697 -109107.0321 298.6270 -77.3099 -53.7237 762125.4462 -15.3742 -15.2981 PRESSURE: 1903400 -454.023 62.7919 -205.888 62.7923 151.112 -98.906 -205.888 -98.9068 -278.141 GPRESSURE: 1903400 -451.736 59.6308 -149.498 99.5021 140.06 -42.7756 -208.955 -127.657 -166.731 PRESSAVG: 1903400 60.1087 -39.2071 73.2995 -39.2071 -73.3833 -10.9899 73.2995 -10.9899 -15.8078 GPRESSAVG: 1903400 60.5511 -40.1911 74.3588 -38.4342 -73.984 -12.0489 73.1499 -11.4647 -15.7942 TIMING: 1903400 CPU: 6003.72, 0.00312429/step Wall: 6003.72, 0.00312429/step, 2.68741 hours remaining, 239.894531 MB of memory in use. ENERGY: 1903400 4039.0387 20582.4297 14448.6311 247.0188 -203059.5610 2412.2025 0.0000 0.0000 51897.5281 -109432.7120 298.2558 -161330.2401 -109069.9086 298.7706 -193.6841 -159.4689 762221.8994 -9.6941 -9.7424 PRESSURE: 1903600 192.496 -133.935 114.678 -133.936 208.939 -27.5087 114.678 -27.5086 583.36 GPRESSURE: 1903600 154.118 -181.578 62.1856 -256.58 239.867 -45.2289 102.375 -80.6061 682.836 PRESSAVG: 1903600 34.3638 -25.7653 1.76952 -25.7652 -25.9297 -15.8241 1.7695 -15.8241 -4.05492 GPRESSAVG: 1903600 35.0522 -24.6222 1.51715 -26.2404 -26.1587 -15.326 -0.858208 -16.9646 -4.43629 TIMING: 1903600 CPU: 6004.35, 0.00312177/step Wall: 6004.35, 0.00312177/step, 2.68507 hours remaining, 239.894531 MB of memory in use. ENERGY: 1903600 3965.7019 20563.7494 14463.1113 236.5980 -203266.3091 2655.4531 0.0000 0.0000 51993.3672 -109388.3283 298.8066 -161381.6955 -109017.2992 299.0680 328.2651 358.9402 761453.0080 1.4597 1.4857 PRESSURE: 1903800 214.084 71.499 89.8914 71.4999 157.851 -117.184 89.8917 -117.184 640.387 GPRESSURE: 1903800 235.629 184.908 42.4782 70.1706 158.839 -141.786 170.065 -116.099 666.837 PRESSAVG: 1903800 43.1539 -7.38573 47.1876 -7.38581 -65.9137 -31.9586 47.1877 -31.9586 -4.39381 GPRESSAVG: 1903800 42.3679 -5.7783 47.155 -8.319 -64.9878 -31.9729 51.2335 -28.6668 -4.59114 TIMING: 1903800 CPU: 6004.97, 0.00310701/step Wall: 6004.97, 0.00310701/step, 2.6722 hours remaining, 239.894531 MB of memory in use. ENERGY: 1903800 3941.9692 20656.8519 14405.4575 260.0551 -203583.1198 2756.9906 0.0000 0.0000 51958.0186 -109603.7769 298.6034 -161561.7955 -109247.0237 298.5507 337.4406 353.7682 759964.1419 -9.0512 -9.0704 PRESSURE: 1904000 283.923 -103.152 111.152 -103.152 218.631 -86.7721 111.153 -86.7716 30.3208 GPRESSURE: 1904000 361.482 -131.337 81.6213 -59.8921 238.656 -111.434 22.4345 -55.7223 12.313 PRESSAVG: 1904000 31.4816 -26.6645 71.9069 -26.6645 -36.4122 20.5844 71.9069 20.5845 -24.662 GPRESSAVG: 1904000 32.1818 -29.8771 71.4332 -24.8856 -36.9933 21.2803 72.5096 19.3277 -24.6791 TIMING: 1904000 CPU: 6005.59, 0.00310985/step Wall: 6005.59, 0.00310985/step, 2.67447 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1904000 3888.5458 20517.6464 14364.7270 266.4096 -203148.1656 2718.2313 0.0000 0.0000 51901.8451 -109490.7602 298.2806 -161392.6053 -109128.4994 298.8264 177.6247 204.1505 759451.5740 -9.8642 -9.8302 PRESSURE: 1904200 200.54 -22.9508 -293.079 -22.9507 -119.133 -60.724 -293.079 -60.7228 387.024 GPRESSURE: 1904200 249.626 -52.3068 -310.994 102.588 -66.7942 -86.8529 -335.522 -12.7821 371.416 PRESSAVG: 1904200 70.3861 -0.139972 1.86057 -0.140024 -115.992 12.9998 1.86053 12.9998 6.50546 GPRESSAVG: 1904200 70.1408 1.26529 1.99639 -1.13223 -116.536 12.3394 0.936331 13.8227 7.21528 TIMING: 1904200 CPU: 6006.21, 0.0031091/step Wall: 6006.21, 0.0031091/step, 2.67366 hours remaining, 239.894531 MB of memory in use. ENERGY: 1904200 3929.3556 20606.0653 14449.5250 226.8301 -203283.0253 2881.3645 0.0000 0.0000 51794.4653 -109395.4195 297.6635 -161189.8848 -109032.4728 298.9848 156.1438 184.7493 761325.2786 -13.0335 -13.0600 LDB: ============= START OF LOAD BALANCING ============== 6018.61 LDB: ============== END OF LOAD BALANCING =============== 6018.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6018.61 LDB: ============= START OF LOAD BALANCING ============== 6018.92 LDB: Largest compute 7034 load 0.033802 is 17.3% of average load 0.195932 LDB: Average compute 0.004414 is 2.3% of average load 0.195932 LDB: TIME 6018.93 LOAD: AVG 0.195932 MAX 0.215977 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 6018.93 LOAD: AVG 0.195932 MAX 0.215977 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 6018.93 LOAD: AVG 0.195932 MAX 0.215977 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 6018.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6018.93 PRESSURE: 1904400 374.066 18.4146 -243.394 18.4151 -26.7359 50.8918 -243.394 50.8917 550.366 GPRESSURE: 1904400 364.773 40.7134 -269.677 -211.386 -11.2092 167.566 -60.8771 36.4963 634.065 PRESSAVG: 1904400 -10.6265 -21.1395 -56.7745 -21.1395 -54.7238 6.83814 -56.7745 6.83823 -7.00387 GPRESSAVG: 1904400 -10.3851 -22.238 -56.6207 -20.2483 -53.6994 6.99427 -56.4386 6.1577 -7.99152 TIMING: 1904400 CPU: 6006.85, 0.00318092/step Wall: 6006.85, 0.00318092/step, 2.73524 hours remaining, 238.351562 MB of memory in use. ENERGY: 1904400 3873.3421 20538.2525 14486.9244 249.2821 -203573.2682 2800.4865 0.0000 0.0000 52085.0598 -109539.9208 299.3336 -161624.9806 -109187.0674 298.1894 299.2317 329.2097 761097.6984 -24.1181 -24.0253 PRESSURE: 1904600 -45.1768 29.1881 83.4064 29.1875 -339.721 159.143 83.4064 159.143 -4.60029 GPRESSURE: 1904600 -14.6651 32.5105 20.1299 8.40925 -381.432 123.972 121.917 220.551 73.0098 PRESSAVG: 1904600 -17.855 18.7612 -23.7693 18.7613 14.5019 8.78284 -23.7694 8.78285 5.00745 GPRESSAVG: 1904600 -17.539 18.0648 -25.0677 18.3248 13.7725 9.26547 -23.0234 7.20576 5.12178 TIMING: 1904600 CPU: 6007.47, 0.00312135/step Wall: 6007.47, 0.00312135/step, 2.68384 hours remaining, 238.351562 MB of memory in use. ENERGY: 1904600 4057.1826 20589.4589 14519.0542 247.2389 -203622.0005 2776.2107 0.0000 0.0000 51809.0858 -109623.7695 297.7475 -161432.8552 -109277.0679 298.8784 -129.8328 -107.6957 762356.0952 0.5514 0.4518 PRESSURE: 1904800 -142.783 -10.68 309.516 -10.68 -231.519 -33.7944 309.517 -33.7947 -39.3149 GPRESSURE: 1904800 -123.845 74.247 362.515 24.3978 -150.429 -0.508204 183.994 -112.68 -68.9784 PRESSAVG: 1904800 5.03626 -4.36107 11.5676 -4.361 0.635604 1.35827 11.5676 1.35828 5.78299 GPRESSAVG: 1904800 4.91255 -2.59888 12.7995 -5.87692 0.93437 -1.10727 8.10938 3.01901 5.48106 TIMING: 1904800 CPU: 6008.1, 0.00312672/step Wall: 6008.1, 0.00312672/step, 2.68829 hours remaining, 238.351562 MB of memory in use. ENERGY: 1904800 3990.0211 20519.9947 14442.3360 254.7054 -203163.1347 2634.7843 0.0000 0.0000 51907.2459 -109414.0474 298.3117 -161321.2933 -109060.5020 298.6958 -137.8723 -114.4176 763698.4942 3.8183 3.7760 PRESSURE: 1905000 -292.273 43.4535 -90.8919 43.453 -39.3077 -61.2202 -90.8927 -61.2198 248.937 GPRESSURE: 1905000 -204.354 48.7829 -32.3717 29.3712 -46.3271 -53.0857 -180.644 46.1354 235.6 PRESSAVG: 1905000 -25.3223 -19.5896 22.5512 -19.5896 17.0548 87.7745 22.5511 87.7746 -2.61797 GPRESSAVG: 1905000 -25.8315 -20.6829 23.0119 -17.5325 16.9943 88.9945 24.3477 88.107 -1.40995 TIMING: 1905000 CPU: 6008.73, 0.00313033/step Wall: 6008.73, 0.00313032/step, 2.69121 hours remaining, 238.351562 MB of memory in use. ENERGY: 1905000 3935.6782 20486.0341 14397.8167 232.8477 -203481.7908 2784.5366 0.0000 0.0000 52228.0010 -109416.8764 300.1550 -161644.8774 -109056.7943 299.2722 -27.5478 -5.0271 762953.6243 -3.6285 -3.4157 PRESSURE: 1905200 57.6927 145.764 -1.5573 145.763 116.654 -92.87 -1.55633 -92.8698 -136.025 GPRESSURE: 1905200 186.875 206.121 29.5738 168.854 96.1753 -145.292 11.5906 23.3952 -187.031 PRESSAVG: 1905200 35.52 -26.0833 -21.8544 -26.0833 -84.0205 0.959052 -21.8544 0.959099 6.08361 GPRESSAVG: 1905200 35.4535 -25.3766 -22.4574 -27.7381 -83.3869 0.823499 -23.1916 0.582183 5.01967 TIMING: 1905200 CPU: 6009.35, 0.00311942/step Wall: 6009.35, 0.00311942/step, 2.68166 hours remaining, 238.351562 MB of memory in use. ENERGY: 1905200 3946.4441 20557.5025 14470.4864 244.1393 -203445.2195 2560.3255 0.0000 0.0000 51987.1260 -109679.1956 298.7707 -161666.3216 -109324.9121 298.5965 12.7741 32.0065 762166.6286 -14.1390 -14.3046 PRESSURE: 1905400 119.937 66.4754 77.1576 66.4753 64.1306 126.157 77.1571 126.158 97.6948 GPRESSURE: 1905400 94.9367 29.7752 65.819 95.5532 111.705 91.0095 177.603 -29.0846 164.873 PRESSAVG: 1905400 -25.4575 -36.224 -30.0992 -36.224 1.55203 2.69743 -30.0992 2.69747 -2.37159 GPRESSAVG: 1905400 -25.7753 -36.8964 -28.104 -34.5551 0.94027 2.40815 -27.9946 3.03879 -1.81552 TIMING: 1905400 CPU: 6009.98, 0.00313305/step Wall: 6009.98, 0.00313305/step, 2.69321 hours remaining, 238.351562 MB of memory in use. ENERGY: 1905400 4011.7134 20456.9488 14453.2588 243.3748 -203449.7417 2747.4289 0.0000 0.0000 52105.5744 -109431.4425 299.4515 -161537.0169 -109073.2540 298.7317 93.9207 123.8384 761894.6214 -8.7590 -8.8835 PRESSURE: 1905600 135.122 136.448 -303.712 136.447 404.938 32.3127 -303.713 32.3115 95.8072 GPRESSURE: 1905600 136.773 171.341 -286.961 57.1568 434.164 218.743 -258.311 -51.1153 149.489 PRESSAVG: 1905600 -20.5594 -11.8884 11.7084 -11.8884 -16.0966 33.8903 11.7084 33.8902 6.58716 GPRESSAVG: 1905600 -20.0419 -10.5017 9.42519 -13.6434 -14.9032 34.0738 11.9135 32.9507 5.10668 TIMING: 1905600 CPU: 6010.6, 0.00312211/step Wall: 6010.6, 0.00312211/step, 2.68363 hours remaining, 238.351562 MB of memory in use. ENERGY: 1905600 3897.0101 20693.5464 14483.3018 246.2886 -203987.8547 3040.1301 0.0000 0.0000 52093.2315 -109534.3462 299.3805 -161627.5777 -109174.6156 299.0722 211.9560 240.1419 761947.5531 -10.0229 -9.9461 PRESSURE: 1905800 -43.6085 -132.511 -51.6136 -132.511 -206.469 27.8067 -51.6144 27.8074 -266.925 GPRESSURE: 1905800 56.0158 -189.01 -78.1716 -118.284 -163.837 69.4834 -28.7371 -54.9572 -323.658 PRESSAVG: 1905800 -18.1892 -28.3887 36.7346 -28.3887 -2.31764 -13.1962 36.7346 -13.1962 -5.55658 GPRESSAVG: 1905800 -17.3041 -29.4394 36.5626 -28.3381 -3.76562 -13.5758 36.1368 -13.7995 -4.75 TIMING: 1905800 CPU: 6011.22, 0.00311429/step Wall: 6011.22, 0.00311429/step, 2.67673 hours remaining, 238.351562 MB of memory in use. ENERGY: 1905800 3951.6233 20604.8540 14422.9144 251.2713 -203288.7768 2614.7803 0.0000 0.0000 51701.8022 -109741.5313 297.1310 -161443.3335 -109383.8045 298.3500 -172.3342 -143.8263 763245.4623 -8.6878 -8.6066 PRESSURE: 1906000 313.01 132.989 0.959721 132.989 154.072 -91.4881 0.959518 -91.4871 -211.616 GPRESSURE: 1906000 252.69 127.905 -73.9006 93.5575 205.433 -75.9669 -69.0034 -94.6327 -107.002 PRESSAVG: 1906000 -19.977 1.43942 45.2039 1.43943 -12.695 5.14164 45.2039 5.14169 24.0974 GPRESSAVG: 1906000 -21.0376 3.0673 46.3551 0.714152 -11.0566 3.44072 45.0015 7.06379 23.7526 TIMING: 1906000 CPU: 6011.85, 0.00312359/step Wall: 6011.85, 0.00312359/step, 2.68455 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1906000 3901.2930 20573.4138 14498.9490 256.8743 -203808.0639 3027.8856 0.0000 0.0000 52132.5861 -109417.0621 299.6067 -161549.6482 -109060.9006 298.1860 85.1551 117.0405 761376.4915 -2.8582 -2.7805 PRESSURE: 1906200 -78.0687 -94.2924 234.478 -94.2929 378.971 53.4138 234.478 53.4137 123.392 GPRESSURE: 1906200 -10.6889 22.107 201.657 -13.8749 371.785 65.297 78.0591 20.9734 158.49 PRESSAVG: 1906200 -10.7997 -7.71118 1.53924 -7.71118 1.06811 0.799493 1.53922 0.799573 -3.13625 GPRESSAVG: 1906200 -10.1034 -8.25852 2.3077 -5.36879 -0.504213 0.756716 -1.34741 1.81022 -2.09798 TIMING: 1906200 CPU: 6012.47, 0.00311944/step Wall: 6012.47, 0.00311944/step, 2.68081 hours remaining, 238.351562 MB of memory in use. ENERGY: 1906200 4054.5666 20666.1819 14478.1260 247.0199 -204284.6727 3120.6941 0.0000 0.0000 52309.0087 -109409.0755 300.6206 -161718.0842 -109054.7173 299.2571 141.4313 173.1952 759710.8475 -4.2893 -4.2352 PRESSURE: 1906400 25.4655 1.15553 -264.498 1.1547 -129.598 -45.8038 -264.498 -45.8046 77.3851 GPRESSURE: 1906400 70.1895 -14.5786 -174.803 -96.8708 -97.7333 -74.1316 -182.293 -44.5187 93.0597 PRESSAVG: 1906400 -41.8879 -12.1657 -30.6039 -12.1657 27.0227 44.9487 -30.6038 44.9486 -5.1089 GPRESSAVG: 1906400 -43.0432 -14.2479 -29.8417 -11.9348 28.1144 46.7964 -29.6581 41.562 -5.18078 TIMING: 1906400 CPU: 6013.09, 0.00310663/step Wall: 6013.09, 0.00310663/step, 2.66963 hours remaining, 238.351562 MB of memory in use. ENERGY: 1906400 3990.8607 20557.5956 14575.9617 258.3644 -203611.0293 2789.6617 0.0000 0.0000 51965.0515 -109473.5335 298.6439 -161438.5851 -109118.8867 299.3773 -8.9159 21.8386 762445.7303 -6.6580 -6.7032 PRESSURE: 1906600 223.537 -113.567 130.869 -113.567 -76.0219 -376.833 130.869 -376.833 -330.681 GPRESSURE: 1906600 231.216 -104.689 196.139 -98.0916 -26.1343 -250.372 148.011 -336.421 -299.662 PRESSAVG: 1906600 9.13777 0.564166 -8.42995 0.564135 -27.3943 22.319 -8.42995 22.319 11.7458 GPRESSAVG: 1906600 9.10766 1.71782 -10.8968 0.313927 -27.7297 22.3573 -7.69642 24.6693 12.011 TIMING: 1906600 CPU: 6013.72, 0.00311805/step Wall: 6013.72, 0.00311805/step, 2.67927 hours remaining, 238.351562 MB of memory in use. ENERGY: 1906600 4024.4818 20666.9270 14503.5998 248.6013 -203531.5942 2665.6498 0.0000 0.0000 51945.3508 -109476.9836 298.5306 -161422.3344 -109110.5099 298.6562 -61.0551 -31.5265 763539.1983 -2.1702 -2.2037 PRESSURE: 1906800 -293.409 86.3947 68.5734 86.3945 -54.4612 121.165 68.5737 121.164 165.577 GPRESSURE: 1906800 -276.13 127.781 117.529 154.509 -69.3785 129.183 25.9501 -12.9567 228.062 PRESSAVG: 1906800 -22.1768 -18.6362 65.0929 -18.6362 24.0319 -21.2141 65.0929 -21.2141 -2.61778 GPRESSAVG: 1906800 -23.2849 -17.003 66.8297 -19.9576 25.7233 -21.5403 65.2475 -21.1822 -2.85814 TIMING: 1906800 CPU: 6014.34, 0.003114/step Wall: 6014.34, 0.003114/step, 2.67562 hours remaining, 238.351562 MB of memory in use. ENERGY: 1906800 4026.5537 20495.8867 14491.5327 230.1643 -203340.9713 2705.7896 0.0000 0.0000 52140.4948 -109250.5494 299.6521 -161391.0442 -108887.7900 299.0588 -60.7644 -39.1489 762863.3638 -0.2542 -0.1399 PRESSURE: 1907000 262.14 -285.206 -76.0608 -285.205 114.653 206.346 -76.0611 206.346 388.557 GPRESSURE: 1907000 223.52 -300.947 -75.3519 -236.516 224.676 114.365 -172.388 210.605 376.032 PRESSAVG: 1907000 -26.4345 -32.0116 11.8798 -32.0116 75.574 -24.0879 11.8798 -24.0879 5.65533 GPRESSAVG: 1907000 -24.5543 -32.3873 9.63337 -31.0103 72.9677 -23.6174 12.6356 -24.542 6.14284 TIMING: 1907000 CPU: 6014.96, 0.0031214/step Wall: 6014.96, 0.0031214/step, 2.6818 hours remaining, 238.351562 MB of memory in use. ENERGY: 1907000 3978.3792 20517.5025 14546.0815 251.5260 -203223.9479 2780.6969 0.0000 0.0000 51872.2033 -109277.5586 298.1103 -161149.7619 -108919.7235 299.2175 255.1165 274.7425 764075.5471 18.2649 18.1854 PRESSURE: 1907200 -88.7469 43.4549 -186.002 43.4551 -355.547 -124.714 -186.002 -124.715 -207.94 GPRESSURE: 1907200 -121.373 -90.4795 -134.814 43.3041 -217.791 -165.459 -182.013 -106.144 -229.017 PRESSAVG: 1907200 -9.09387 17.3999 -5.56862 17.3999 -17.1195 -41.6939 -5.56854 -41.6939 -8.42881 GPRESSAVG: 1907200 -11.1854 15.9476 -4.58627 17.771 -16.2801 -42.4047 -4.00817 -42.2244 -7.64306 TIMING: 1907200 CPU: 6015.59, 0.00311739/step Wall: 6015.59, 0.00311739/step, 2.67819 hours remaining, 238.351562 MB of memory in use. ENERGY: 1907200 3975.6789 20529.3300 14542.7671 268.1423 -203155.6488 2455.2976 0.0000 0.0000 52171.0984 -109213.3345 299.8280 -161384.4329 -108845.8742 299.6550 -217.4114 -189.3934 764300.0473 -11.5474 -11.7029 PRESSURE: 1907400 -110.246 138.181 214.968 138.18 229.796 144.27 214.967 144.271 105.34 GPRESSURE: 1907400 -73.4638 35.0165 160.325 102.57 247.131 128.708 173.888 93.5434 136.051 PRESSAVG: 1907400 8.62778 -0.69476 47.1517 -0.694732 33.3256 25.8071 47.1516 25.8071 -6.73732 GPRESSAVG: 1907400 10.2682 -0.5735 46.7716 -1.45361 33.679 26.6283 46.1317 24.1285 -8.61103 TIMING: 1907400 CPU: 6016.21, 0.00311949/step Wall: 6016.21, 0.00311949/step, 2.67982 hours remaining, 238.351562 MB of memory in use. ENERGY: 1907400 3957.1356 20506.0278 14544.9966 256.7289 -203593.4579 2679.1417 0.0000 0.0000 52236.0187 -109413.4086 300.2011 -161649.4273 -109046.5719 299.4456 74.9633 103.2395 759881.7806 11.7387 11.7787 PRESSURE: 1907600 -8.53752 -61.4634 181.927 -61.4633 -55.8627 -165.857 181.927 -165.858 -313.813 GPRESSURE: 1907600 114.89 -24.8121 214.5 -72.2952 -107.485 -198.875 118.123 -1.28138 -304.208 PRESSAVG: 1907600 -51.8461 18.5171 -9.70654 18.5172 69.4088 27.8615 -9.70651 27.8615 6.27477 GPRESSAVG: 1907600 -52.4519 19.9041 -8.6836 18.754 68.7429 27.1551 -10.4303 28.4381 7.50236 TIMING: 1907600 CPU: 6016.83, 0.00311038/step Wall: 6016.83, 0.00311038/step, 2.67182 hours remaining, 238.351562 MB of memory in use. ENERGY: 1907600 4023.0120 20489.8886 14491.8763 247.5586 -203531.9202 2571.7757 0.0000 0.0000 52245.2976 -109462.5112 300.2544 -161707.8089 -109108.6013 298.7998 -126.0710 -98.9342 760451.7982 7.9458 7.9311 PRESSURE: 1907800 42.5653 -111.143 104.859 -111.142 126.426 80.7046 104.859 80.7045 280.29 GPRESSURE: 1907800 42.0121 -59.0344 140.413 -158.785 175.325 83.688 58.4001 53.3222 308.323 PRESSAVG: 1907800 98.3104 15.8531 18.069 15.8531 -22.2464 32.0668 18.0689 32.0668 -10.36 GPRESSAVG: 1907800 98.5513 12.7436 17.6689 17.6389 -21.7494 31.9782 17.9 31.8988 -11.1044 TIMING: 1907800 CPU: 6017.46, 0.00311312/step Wall: 6017.46, 0.00311312/step, 2.67399 hours remaining, 238.351562 MB of memory in use. ENERGY: 1907800 3910.0167 20455.8451 14557.6891 252.5252 -203355.4359 2688.7551 0.0000 0.0000 52187.8293 -109302.7756 299.9242 -161490.6048 -108936.2877 299.2740 149.7606 175.2199 760916.2419 21.9013 21.8992 PRESSURE: 1908000 -69.9496 77.4678 -156.441 77.4682 -133.361 31.9811 -156.441 31.9832 221.213 GPRESSURE: 1908000 0.414387 -31.597 -89.9361 152.991 -129.359 -18.43 -10.9261 77.8023 223.525 PRESSAVG: 1908000 23.2403 16.373 6.39556 16.373 -17.0598 -30.0484 6.39547 -30.0484 40.6274 GPRESSAVG: 1908000 22.0614 17.0596 4.82333 15.689 -16.4705 -28.5469 8.09708 -28.9743 41.3982 TIMING: 1908000 CPU: 6018.08, 0.00312248/step Wall: 6018.08, 0.00312248/step, 2.68186 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1908000 3974.1371 20599.5926 14550.4363 241.1328 -203503.0175 2619.6944 0.0000 0.0000 52064.0170 -109454.0074 299.2126 -161518.0244 -109091.8626 299.0268 5.9674 31.5269 761850.0126 15.6026 15.6630 PRESSURE: 1908200 -32.9763 24.237 -422.488 24.2369 -171.56 -28.5853 -422.488 -28.5844 -137.498 GPRESSURE: 1908200 -40.4789 57.7673 -360.919 55.9349 -72.0218 -55.4579 -385.591 -72.672 -134.476 PRESSAVG: 1908200 -11.7679 -15.7161 -14.6488 -15.7161 -24.3504 44.6573 -14.6488 44.6572 -11.3805 GPRESSAVG: 1908200 -10.9226 -15.7793 -13.4982 -13.757 -25.4241 44.5077 -15.1781 42.6972 -11.2334 TIMING: 1908200 CPU: 6018.7, 0.00311294/step Wall: 6018.7, 0.00311294/step, 2.6735 hours remaining, 238.351562 MB of memory in use. ENERGY: 1908200 4014.5646 20438.4197 14433.1843 251.6021 -203387.8258 2859.3284 0.0000 0.0000 51973.2143 -109417.5124 298.6908 -161390.7267 -109056.9074 299.2410 -114.0112 -82.3256 764207.8260 -15.8329 -15.8601 LDB: ============= START OF LOAD BALANCING ============== 6031.1 LDB: ============== END OF LOAD BALANCING =============== 6031.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6031.1 LDB: ============= START OF LOAD BALANCING ============== 6031.41 LDB: Largest compute 7034 load 0.034205 is 17.4% of average load 0.196047 LDB: Average compute 0.004388 is 2.2% of average load 0.196047 LDB: TIME 6031.42 LOAD: AVG 0.196047 MAX 0.217684 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 6031.42 LOAD: AVG 0.196047 MAX 0.217684 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: TIME 6031.42 LOAD: AVG 0.196047 MAX 0.217684 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.863 MB LDB: ============== END OF LOAD BALANCING =============== 6031.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6031.43 PRESSURE: 1908400 182.885 -28.4379 7.8396 -28.438 113.682 242.676 7.83865 242.676 200.448 GPRESSURE: 1908400 177.09 104.761 41.1036 17.1568 205.041 214.622 -139.714 248.208 200.58 PRESSAVG: 1908400 30.0307 1.07047 -40.6408 1.07054 -9.53334 31.0352 -40.6408 31.0352 25.8803 GPRESSAVG: 1908400 29.9329 2.31384 -41.1219 -0.96708 -8.50625 29.7527 -41.7104 31.2136 25.1768 TIMING: 1908400 CPU: 6019.34, 0.00319714/step Wall: 6019.34, 0.00319714/step, 2.74563 hours remaining, 239.121094 MB of memory in use. ENERGY: 1908400 4003.7233 20379.3320 14514.3667 264.0421 -203265.8881 2784.8590 0.0000 0.0000 51796.0272 -109523.5378 297.6725 -161319.5650 -109161.1737 299.0639 165.6712 194.2370 761188.6648 15.4592 15.5345 PRESSURE: 1908600 329.117 109.008 0.386724 109.008 -18.4063 192.365 0.386628 192.365 181.852 GPRESSURE: 1908600 262.196 -41.8943 2.69777 103.238 120.572 91.8966 -149.702 177.258 179.69 PRESSAVG: 1908600 59.3102 5.893 -1.79055 5.89298 -72.5812 36.8403 -1.79053 36.8403 10.1808 GPRESSAVG: 1908600 59.3675 6.64971 0.447842 6.28756 -73.1442 35.3465 -1.25965 40.8963 10.5019 TIMING: 1908600 CPU: 6019.97, 0.00312797/step Wall: 6019.97, 0.00312797/step, 2.68605 hours remaining, 239.121094 MB of memory in use. ENERGY: 1908600 3957.4373 20357.5736 14434.5912 227.1938 -203729.3480 3133.2882 0.0000 0.0000 52012.6203 -109606.6436 298.9172 -161619.2639 -109245.3193 298.4846 164.1877 187.4863 762752.1556 -1.0301 -1.0916 PRESSURE: 1908800 -126.381 -29.0372 32.1315 -29.0374 -108.629 32.941 32.1319 32.941 -49.8727 GPRESSURE: 1908800 -118.692 -22.9492 14.9498 75.1802 -105.631 65.4626 73.7766 -31.828 -1.91896 PRESSAVG: 1908800 55.3116 -5.46692 -48.633 -5.46691 -65.2303 26.7607 -48.633 26.7607 7.79176 GPRESSAVG: 1908800 54.4989 -4.10439 -49.0066 -5.2797 -64.919 27.2263 -49.0764 25.6278 7.93279 TIMING: 1908800 CPU: 6020.6, 0.0031406/step Wall: 6020.6, 0.0031406/step, 2.69673 hours remaining, 239.121094 MB of memory in use. ENERGY: 1908800 3886.1108 20540.6221 14425.3828 242.2899 -203351.5260 2687.5623 0.0000 0.0000 51984.1818 -109585.3764 298.7538 -161569.5582 -109231.3038 298.0265 -94.9610 -75.4142 764571.8693 -0.7090 -0.8291 PRESSURE: 1909000 81.686 96.4734 28.6038 96.4734 476.955 35.3498 28.6033 35.3496 -519.334 GPRESSURE: 1909000 155.628 127.228 56.7514 86.4089 495.758 39.4105 41.5015 97.4578 -531.987 PRESSAVG: 1909000 -28.291 -41.4017 2.52898 -41.4017 65.1006 16.3697 2.52898 16.3697 4.65501 GPRESSAVG: 1909000 -27.5339 -43.8927 0.710924 -43.3943 64.7007 18.499 4.18497 15.1845 5.04255 TIMING: 1909000 CPU: 6021.23, 0.00315875/step Wall: 6021.23, 0.00315875/step, 2.71213 hours remaining, 239.121094 MB of memory in use. ENERGY: 1909000 3972.4119 20531.9736 14418.1549 238.8694 -203441.9082 2958.9205 0.0000 0.0000 51817.1546 -109504.4233 297.7939 -161321.5779 -109153.4369 298.3029 13.1025 39.7995 763032.4932 13.8215 14.0698 PRESSURE: 1909200 -291.484 -0.587567 26.3218 -0.58839 -234.006 -48.688 26.3216 -48.6887 94.1629 GPRESSURE: 1909200 -240.172 25.391 23.6192 34.2613 -131.703 63.2805 145.076 -164.848 19.7909 PRESSAVG: 1909200 -70.1219 25.7426 30.324 25.7426 84.2216 -40.2044 30.324 -40.2044 24.4861 GPRESSAVG: 1909200 -70.0335 27.2721 31.594 27.147 84.2347 -40.0379 29.4862 -40.6178 24.3961 TIMING: 1909200 CPU: 6021.86, 0.00314867/step Wall: 6021.86, 0.00314867/step, 2.70331 hours remaining, 239.121094 MB of memory in use. ENERGY: 1909200 3949.7651 20294.2362 14473.7595 253.4416 -202690.2773 2345.8602 0.0000 0.0000 52001.0228 -109372.1919 298.8506 -161373.2148 -109013.8832 298.5200 -143.7756 -117.3613 764317.7830 12.8620 12.8657 PRESSURE: 1909400 415.767 -83.148 103.141 -83.1477 -171.369 11.2079 103.141 11.208 -169.999 GPRESSURE: 1909400 405.311 40.2017 124.674 -37.139 -175.573 39.8431 67.9315 83.1028 -72.3835 PRESSAVG: 1909400 0.685922 -50.1849 42.7922 -50.1849 -38.4369 -1.62961 42.7922 -1.62965 -4.13237 GPRESSAVG: 1909400 -1.0446 -49.6689 44.0068 -51.5919 -36.7336 -4.02343 42.1898 -0.726328 -4.09349 TIMING: 1909400 CPU: 6022.49, 0.00313487/step Wall: 6022.49, 0.00313487/step, 2.69128 hours remaining, 239.121094 MB of memory in use. ENERGY: 1909400 3889.3612 20419.3186 14449.3564 256.9771 -202870.2595 2580.0215 0.0000 0.0000 52073.7053 -109201.5195 299.2683 -161275.2248 -108836.9890 298.6836 24.7999 52.4516 762962.4331 -13.9611 -13.9572 PRESSURE: 1909600 -153.159 -325.77 16.5496 -325.771 196.051 -81.4116 16.5507 -81.4123 455.892 GPRESSURE: 1909600 -25.7153 -238.098 -68.5797 -282.417 174.177 -96.0714 110.376 -91.8571 435.515 PRESSAVG: 1909600 27.0812 -30.8725 -49.6955 -30.8725 -22.6986 -24.1285 -49.6955 -24.1286 13.6911 GPRESSAVG: 1909600 29.6654 -30.6782 -51.0628 -30.88 -24.5545 -23.9413 -49.1737 -26.0139 12.9233 TIMING: 1909600 CPU: 6023.11, 0.00313602/step Wall: 6023.11, 0.00313602/step, 2.6921 hours remaining, 239.121094 MB of memory in use. ENERGY: 1909600 4018.2526 20412.8353 14502.5022 254.2282 -202941.7076 2496.2564 0.0000 0.0000 51987.5241 -109270.1089 298.7730 -161257.6330 -108926.1646 298.5988 166.2613 194.6589 761115.3390 6.0246 6.0114 PRESSURE: 1909800 -249.587 -174.096 -120.546 -174.096 174.526 -130.913 -120.546 -130.912 -122.586 GPRESSURE: 1909800 -189.534 -132.397 -160.052 -126.799 117.071 -48.9782 -152.879 -139.046 -41.6387 PRESSAVG: 1909800 0.0412364 -53.2705 -5.44385 -53.2704 29.9611 -0.197949 -5.44377 -0.197932 -5.21205 GPRESSAVG: 1909800 -1.07271 -54.0704 -4.19378 -54.097 30.68 1.31782 -5.1222 1.41773 -4.37544 TIMING: 1909800 CPU: 6023.74, 0.00314425/step Wall: 6023.74, 0.00314425/step, 2.69899 hours remaining, 239.121094 MB of memory in use. ENERGY: 1909800 3978.3243 20460.3563 14435.0220 243.9088 -203174.5608 2497.0033 0.0000 0.0000 52102.3225 -109457.6236 299.4328 -161559.9461 -109096.9212 299.4501 -65.8823 -38.0336 762580.2953 8.2634 8.4106 PRESSURE: 1910000 -125.75 28.3399 117.237 28.3387 -181.388 50.192 117.236 50.1928 164.856 GPRESSURE: 1910000 50.0412 67.3862 158.06 62.4237 -142.23 60.0464 222.567 52.862 48.9246 PRESSAVG: 1910000 -4.67327 -20.7479 -19.5949 -20.748 -6.20424 -16.8752 -19.5949 -16.8752 -2.27224 GPRESSAVG: 1910000 -4.8754 -21.3876 -20.7988 -19.655 -4.27026 -18.32 -17.9693 -19.2296 -3.72434 TIMING: 1910000 CPU: 6024.37, 0.00314777/step Wall: 6024.37, 0.00314777/step, 2.70184 hours remaining, 239.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1910000 4040.4384 20408.5811 14472.2350 229.4521 -203336.6834 2763.7760 0.0000 0.0000 51908.3644 -109513.8364 298.3181 -161422.2009 -109155.1605 299.1766 -47.4275 -14.4214 761499.4792 -4.3833 -4.2900 PRESSURE: 1910200 -159.262 -246.433 128.392 -246.431 17.3941 -238.257 128.392 -238.255 170.557 GPRESSURE: 1910200 -139.556 -236.236 138.16 -171.839 15.5976 -296.811 4.41857 -246.588 236.714 PRESSAVG: 1910200 26.9305 -25.5971 1.05391 -25.5971 0.827103 -39.1736 1.05392 -39.1736 4.15236 GPRESSAVG: 1910200 26.7102 -26.1872 2.42711 -23.7333 -0.658121 -38.3985 -0.632487 -38.1421 5.70233 TIMING: 1910200 CPU: 6025, 0.00313711/step Wall: 6025, 0.0031371/step, 2.69251 hours remaining, 239.121094 MB of memory in use. ENERGY: 1910200 3966.9446 20555.6536 14506.1736 240.8398 -203089.7453 2419.5668 0.0000 0.0000 52007.7869 -109392.7801 298.8895 -161400.5670 -109026.0639 298.8530 9.5631 37.5853 760789.1164 10.6367 10.5848 PRESSURE: 1910400 112.746 4.3211 23.6038 4.32197 -289.162 -57.5639 23.6036 -57.5655 -152.749 GPRESSURE: 1910400 137.363 36.0761 53.691 -59.9571 -296.234 -91.3483 5.26804 2.3558 -71.5923 PRESSAVG: 1910400 -6.28239 13.32 -18.7839 13.3199 19.9111 -8.66326 -18.7839 -8.66329 9.07011 GPRESSAVG: 1910400 -4.98842 13.0379 -20.8647 13.1913 18.8816 -7.52731 -18.6348 -6.65803 8.61411 TIMING: 1910400 CPU: 6025.63, 0.00315632/step Wall: 6025.63, 0.00315632/step, 2.70882 hours remaining, 239.121094 MB of memory in use. ENERGY: 1910400 3975.3514 20578.8986 14452.2848 231.5815 -203407.8574 2816.0752 0.0000 0.0000 52089.9338 -109263.7319 299.3616 -161353.6658 -108906.8623 299.7620 -109.7220 -76.8209 762603.9012 7.5663 7.5024 PRESSURE: 1910600 -184.013 -87.5254 -247.018 -87.5249 -100.27 125.168 -247.019 125.169 75.6173 GPRESSURE: 1910600 -167.971 -59.7166 -298.884 -37.0271 -42.7001 159.99 -164.559 146.334 96.7614 PRESSAVG: 1910600 -16.289 -14.8215 -38.5932 -14.8215 9.47589 11.4365 -38.5932 11.4365 41.1381 GPRESSAVG: 1910600 -17.1707 -14.3575 -37.6277 -14.7381 11.3253 10.6444 -37.8415 8.58107 40.3438 TIMING: 1910600 CPU: 6026.26, 0.00314474/step Wall: 6026.26, 0.00314474/step, 2.69871 hours remaining, 239.121094 MB of memory in use. ENERGY: 1910600 4120.9457 20365.5827 14452.2796 256.2697 -203211.8229 2617.2918 0.0000 0.0000 52208.1713 -109191.2821 300.0411 -161399.4534 -108817.4334 299.7387 -69.5554 -37.9700 761783.9387 11.4417 11.4994 PRESSURE: 1910800 -148.908 135.384 -108.218 135.385 68.159 93.3627 -108.217 93.3629 15.1289 GPRESSURE: 1910800 -80.7277 118.717 -200.025 150.693 5.81285 39.5644 -144.09 171.506 78.5467 PRESSAVG: 1910800 -38.7197 6.82005 -74.1821 6.82002 31.921 78.0161 -74.1822 78.0162 -5.9347 GPRESSAVG: 1910800 -38.6744 8.14865 -74.9549 5.06204 31.055 76.4723 -73.9939 77.5405 -4.81499 TIMING: 1910800 CPU: 6026.88, 0.00311755/step Wall: 6026.88, 0.00311755/step, 2.67521 hours remaining, 239.121094 MB of memory in use. ENERGY: 1910800 3995.6786 20656.2144 14402.8010 232.1629 -203422.0424 2611.1277 0.0000 0.0000 52113.3334 -109410.7244 299.4960 -161524.0577 -109059.5811 299.3949 -21.8733 1.2106 759994.8174 -4.2445 -4.1448 PRESSURE: 1911000 304.699 -3.5189 -137.547 -3.51968 -16.8775 -36.2448 -137.547 -36.2444 -360.783 GPRESSURE: 1911000 374.428 95.4951 -201.055 -38.3411 -52.3446 12.471 -229.296 14.6551 -299.508 PRESSAVG: 1911000 -4.74408 23.3025 7.52526 23.3024 12.7898 5.31 7.52526 5.31002 7.22534 GPRESSAVG: 1911000 -3.92892 22.592 7.43435 22.8302 11.8878 6.88554 6.17669 6.45354 7.04576 TIMING: 1911000 CPU: 6027.51, 0.00312391/step Wall: 6027.51, 0.00312391/step, 2.68048 hours remaining, 239.121094 MB of memory in use. ENERGY: 1911000 3944.4226 20627.5225 14452.4254 239.6521 -203563.7856 2788.3987 0.0000 0.0000 52051.0078 -109460.3564 299.1379 -161511.3642 -109100.6754 299.5803 -24.3207 7.5251 761277.3759 5.0904 5.0015 PRESSURE: 1911200 -337.138 -132.515 352.308 -132.515 -1.53977 -230.007 352.307 -230.006 -641.835 GPRESSURE: 1911200 -265.832 -184.524 335.936 -137.399 30.7163 -213.187 264.904 -191.171 -639.337 PRESSAVG: 1911200 -9.66839 -39.9174 -33.1724 -39.9174 -10.3093 48.9763 -33.1724 48.9762 -31.2795 GPRESSAVG: 1911200 -10.1661 -39.4687 -32.5282 -39.9228 -8.91344 49.951 -34.5953 47.7021 -31.7438 TIMING: 1911200 CPU: 6028.13, 0.00312029/step Wall: 6028.13, 0.00312029/step, 2.67721 hours remaining, 239.121094 MB of memory in use. ENERGY: 1911200 3933.5615 20756.7464 14479.0539 235.8522 -203514.1963 2610.1161 0.0000 0.0000 52088.7146 -109410.1516 299.3546 -161498.8662 -109052.6517 299.0150 -326.8377 -291.4843 762174.2123 -17.0857 -16.9411 PRESSURE: 1911400 114.53 275.949 -98.3224 275.947 -54.9478 19.0138 -98.3225 19.0137 -185.919 GPRESSURE: 1911400 87.0639 232.235 1.48665 220.111 -31.9823 130.977 -56.2372 122.583 -109.1 PRESSAVG: 1911400 -13.9973 -55.3608 15.2045 -55.3607 -9.34055 48.3851 15.2045 48.3851 8.4701 GPRESSAVG: 1911400 -13.8729 -57.2333 17.6373 -54.7084 -9.30961 48.0831 15.5382 51.3573 8.58889 TIMING: 1911400 CPU: 6028.76, 0.00313573/step Wall: 6028.76, 0.00313573/step, 2.69028 hours remaining, 239.121094 MB of memory in use. ENERGY: 1911400 3982.4341 20666.8572 14507.2311 248.5557 -203687.8600 2818.0406 0.0000 0.0000 52231.6270 -109233.1145 300.1759 -161464.7415 -108870.6987 300.2001 -42.1120 -18.0062 762375.1259 -4.9559 -4.8645 PRESSURE: 1911600 72.0202 -284.246 -179.383 -284.246 130.411 -46.44 -179.382 -46.4414 -117.099 GPRESSURE: 1911600 84.415 -225.089 -97.1522 -85.8782 182.461 -9.52646 -264.902 -126.248 -108.474 PRESSAVG: 1911600 -26.7968 -14.0936 -26.7237 -14.0936 2.17449 1.3616 -26.7237 1.36163 -0.731927 GPRESSAVG: 1911600 -27.3423 -12.0624 -28.7257 -11.9997 0.995467 0.274975 -25.362 0.00438079 0.644174 TIMING: 1911600 CPU: 6029.38, 0.00313182/step Wall: 6029.38, 0.00313182/step, 2.68675 hours remaining, 239.121094 MB of memory in use. ENERGY: 1911600 3981.0233 20656.6023 14489.5029 255.3364 -203761.5154 2991.1810 0.0000 0.0000 52135.9504 -109251.9191 299.6260 -161387.8695 -108888.7490 299.9221 28.4439 52.8006 761275.4482 -8.4514 -8.5676 PRESSURE: 1911800 -172.959 201.445 130.375 201.445 -207.331 16.0527 130.375 16.053 -343.309 GPRESSURE: 1911800 -65.597 117.127 160.292 238.662 -264.317 -48.0732 41.8179 12.3801 -302.159 PRESSAVG: 1911800 -50.3189 -27.1524 25.1953 -27.1524 1.10095 11.8533 25.1953 11.8534 5.83283 GPRESSAVG: 1911800 -48.8968 -26.7487 25.653 -26.1245 0.94668 11.1422 24.1946 12.1836 4.61597 TIMING: 1911800 CPU: 6030.01, 0.0031158/step Wall: 6030.01, 0.0031158/step, 2.67284 hours remaining, 239.121094 MB of memory in use. ENERGY: 1911800 4045.5691 20575.5605 14547.8431 229.0142 -203319.0730 2502.9356 0.0000 0.0000 52295.0056 -109123.1451 300.5401 -161418.1507 -108756.5779 300.3679 -241.1996 -210.6912 762917.8125 -14.4617 -14.4447 PRESSURE: 1912000 -129.267 16.7352 -40.2262 16.7338 -151.306 -42.7492 -40.2258 -42.7486 -280.768 GPRESSURE: 1912000 -50.4899 -91.1607 -39.7745 -60.0021 -151.008 -5.46858 -92.5693 -2.57744 -310.675 PRESSAVG: 1912000 19.988 -9.34592 -17.6735 -9.34591 14.8386 11.6152 -17.6735 11.6152 23.1519 GPRESSAVG: 1912000 19.2646 -11.3032 -16.6907 -11.3945 15.0969 11.8604 -17.5759 11.6541 22.8558 TIMING: 1912000 CPU: 6030.63, 0.00312849/step Wall: 6030.63, 0.00312849/step, 2.68355 hours remaining, 239.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1912000 3923.9763 20824.8675 14539.8836 252.4856 -203224.7500 2382.1580 0.0000 0.0000 52242.1791 -109059.1998 300.2365 -161301.3790 -108705.1047 300.3301 -187.1135 -170.7244 761392.5653 19.3262 19.0724 PRESSURE: 1912200 -359.223 -111.132 -173.632 -111.132 -117.095 101.342 -173.633 101.342 -411.152 GPRESSURE: 1912200 -258.179 -65.3862 -153.713 -102.584 -184.762 82.1938 -181.084 105.009 -351.436 PRESSAVG: 1912200 9.59696 -43.7981 -47.8099 -43.798 3.06732 -10.4962 -47.8098 -10.4963 7.16334 GPRESSAVG: 1912200 9.27721 -43.8088 -47.8525 -42.2085 2.37289 -9.50439 -46.7841 -12.0344 8.44741 TIMING: 1912200 CPU: 6031.26, 0.00311644/step Wall: 6031.26, 0.00311644/step, 2.67304 hours remaining, 239.121094 MB of memory in use. ENERGY: 1912200 4059.6614 20634.7452 14493.6781 248.4466 -202868.6955 2202.2900 0.0000 0.0000 52123.0339 -109106.8403 299.5518 -161229.8742 -108748.9956 299.9084 -295.8231 -264.7922 761864.8816 6.6092 6.6992 LDB: ============= START OF LOAD BALANCING ============== 6043.65 LDB: ============== END OF LOAD BALANCING =============== 6043.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6043.65 LDB: ============= START OF LOAD BALANCING ============== 6043.96 LDB: Largest compute 7077 load 0.035612 is 18.2% of average load 0.195972 LDB: Average compute 0.004418 is 2.3% of average load 0.195972 LDB: TIME 6043.97 LOAD: AVG 0.195972 MAX 0.218177 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 6043.97 LOAD: AVG 0.195972 MAX 0.218177 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 6043.97 LOAD: AVG 0.195972 MAX 0.218177 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: ============== END OF LOAD BALANCING =============== 6043.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6043.98 PRESSURE: 1912400 -118.356 -197.275 -9.72092 -197.276 96.538 -183.348 -9.71987 -183.348 -237.826 GPRESSURE: 1912400 -94.4034 -108.59 -2.65542 -169.641 109.144 -111.598 -94.1171 -124.454 -192.62 PRESSAVG: 1912400 13.6582 -62.0909 -48.0479 -62.0909 -3.59834 -1.86266 -48.0479 -1.86266 -2.92908 GPRESSAVG: 1912400 14.2303 -60.0196 -51.0615 -62.5949 -2.79762 -2.10886 -47.0304 -2.06182 -3.65268 TIMING: 1912400 CPU: 6031.89, 0.00318479/step Wall: 6031.89, 0.00318479/step, 2.73149 hours remaining, 238.351562 MB of memory in use. ENERGY: 1912400 4085.9012 20638.3910 14521.7325 225.7740 -203259.5467 2304.9735 0.0000 0.0000 52165.7617 -109317.0127 299.7973 -161482.7744 -108952.0707 300.0536 -86.5479 -59.2929 760260.0225 2.3769 2.5933 PRESSURE: 1912600 -5.0891 218.747 -58.5842 218.747 282.574 -56.0586 -58.5832 -56.0588 -309.141 GPRESSURE: 1912600 98.9429 162.979 -7.22443 213.879 195.582 -35.5612 -99.243 34.4484 -233.623 PRESSAVG: 1912600 -44.1234 -10.0035 -10.8887 -10.0035 6.36752 25.9601 -10.8888 25.9602 17.1153 GPRESSAVG: 1912600 -44.355 -13.0296 -8.88904 -9.51278 5.47808 27.2846 -11.7782 26.8245 17.8185 TIMING: 1912600 CPU: 6032.52, 0.0031209/step Wall: 6032.52, 0.00312089/step, 2.67651 hours remaining, 238.351562 MB of memory in use. ENERGY: 1912600 4111.1486 20525.6241 14504.4577 254.1066 -203602.4902 2935.0952 0.0000 0.0000 51993.2591 -109278.7988 298.8060 -161272.0578 -108920.1913 299.3953 -10.5519 20.3006 760611.8808 -6.8802 -7.0195 PRESSURE: 1912800 -98.8971 93.7614 -47.1094 93.7614 -257.796 209.957 -47.1099 209.956 -537.737 GPRESSURE: 1912800 -21.8156 0.309081 -119.692 29.0433 -284.37 182.578 102.472 91.4842 -491.879 PRESSAVG: 1912800 -4.57628 33.4162 12.2382 33.4162 4.27278 53.1949 12.2382 53.1948 11.6269 GPRESSAVG: 1912800 -4.64454 34.7328 12.4654 32.4472 4.93685 52.3424 12.8093 52.3858 10.5826 TIMING: 1912800 CPU: 6033.14, 0.00313777/step Wall: 6033.14, 0.00313777/step, 2.69081 hours remaining, 238.351562 MB of memory in use. ENERGY: 1912800 3994.7143 20526.8439 14428.7844 255.4369 -203439.3764 2700.7692 0.0000 0.0000 52136.0787 -109396.7492 299.6268 -161532.8279 -109041.9144 299.5048 -298.1432 -266.0217 762078.1659 3.7745 3.6250 PRESSURE: 1913000 240.368 -85.6266 -134.061 -85.6267 35.6953 -33.0829 -134.06 -33.0833 -341.945 GPRESSURE: 1913000 187.685 -112.679 -193.148 -90.3659 78.7541 -73.5016 -121.544 -86.385 -255.135 PRESSAVG: 1913000 41.4665 3.09577 -18.4195 3.09578 -56.7315 15.1172 -18.4195 15.1172 1.135 GPRESSAVG: 1913000 40.6297 3.55619 -18.4077 3.47051 -57.0601 14.3169 -19.8569 17.0184 2.65371 TIMING: 1913000 CPU: 6033.77, 0.00312664/step Wall: 6033.77, 0.00312664/step, 2.68109 hours remaining, 238.351562 MB of memory in use. ENERGY: 1913000 3950.3223 20605.6949 14477.6886 240.9140 -203409.6830 2649.9619 0.0000 0.0000 52054.8628 -109430.2385 299.1600 -161485.1014 -109069.9966 299.1657 -21.9606 3.7682 761647.6492 -4.7100 -4.5922 PRESSURE: 1913200 -343.021 138.852 163.223 138.852 -147.058 209.56 163.224 209.561 -236.851 GPRESSURE: 1913200 -249.129 37.06 151.197 243.849 -215.05 263.355 117.599 206.845 -181.734 PRESSAVG: 1913200 -9.99645 -0.363035 -28.1591 -0.363071 9.70005 -41.6152 -28.1592 -41.6152 17.2367 GPRESSAVG: 1913200 -8.33639 -0.94214 -28.7839 -0.487634 9.69598 -41.3603 -27.5448 -43.8882 16.502 TIMING: 1913200 CPU: 6034.4, 0.00313754/step Wall: 6034.4, 0.00313754/step, 2.69027 hours remaining, 238.351562 MB of memory in use. ENERGY: 1913200 4034.2948 20586.9777 14351.6182 249.2085 -203414.8793 2636.3364 0.0000 0.0000 52071.9408 -109484.5028 299.2582 -161556.4436 -109119.0972 298.8527 -242.3100 -215.3044 761502.8873 5.6468 5.9539 PRESSURE: 1913400 233.377 -118.876 108.271 -118.877 -60.093 -9.78238 108.27 -9.78152 205.835 GPRESSURE: 1913400 292.36 -120.129 133.361 -81.6791 -45.8308 58.2797 -94.7003 -136.288 200.52 PRESSAVG: 1913400 43.2587 -49.712 26.8375 -49.712 -21.4683 -24.7522 26.8375 -24.7521 -0.298794 GPRESSAVG: 1913400 42.1867 -47.6366 26.0853 -51.8008 -20.7956 -24.829 25.4683 -25.3257 -0.0602626 TIMING: 1913400 CPU: 6035.03, 0.00314315/step Wall: 6035.03, 0.00314315/step, 2.6949 hours remaining, 238.351562 MB of memory in use. ENERGY: 1913400 3998.2038 20453.5326 14481.1725 250.5385 -203108.7590 2407.6057 0.0000 0.0000 52364.1257 -109153.5804 300.9373 -161517.7061 -108785.4145 299.4411 126.3732 149.0164 761563.8540 7.1638 7.1103 PRESSURE: 1913600 117.569 59.0598 58.895 59.0595 199.561 109.239 58.8943 109.24 -338.267 GPRESSURE: 1913600 99.6239 85.6098 25.2997 -34.1276 324.162 184.241 91.2909 126.545 -335.74 PRESSAVG: 1913600 16.7306 -25.8224 -28.3002 -25.8225 -13.4342 28.2524 -28.3003 28.2524 -8.93378 GPRESSAVG: 1913600 17.4549 -28.2675 -25.1982 -24.9885 -13.901 28.2227 -29.6423 29.378 -9.26154 TIMING: 1913600 CPU: 6035.65, 0.00313136/step Wall: 6035.65, 0.00313136/step, 2.68462 hours remaining, 238.351562 MB of memory in use. ENERGY: 1913600 4019.3300 20498.3624 14454.9321 246.1887 -202877.8041 2551.5467 0.0000 0.0000 52038.9737 -109068.4705 299.0687 -161107.4443 -108700.7186 299.1866 -7.0457 29.3486 763795.1317 -1.8791 -1.9025 PRESSURE: 1913800 -287.685 -192.329 -59.4797 -192.329 -427.985 175.666 -59.4802 175.666 136.613 GPRESSURE: 1913800 -252.357 -51.9951 -70.7543 -134.325 -373.412 188.654 -183.521 168.892 156.517 PRESSAVG: 1913800 59.4417 -58.7602 3.83913 -58.7602 -35.3699 -10.7543 3.83914 -10.7543 19.3091 GPRESSAVG: 1913800 58.931 -58.7446 3.27686 -57.3619 -34.8109 -12.4113 6.7933 -9.49424 19.0822 TIMING: 1913800 CPU: 6036.28, 0.00313029/step Wall: 6036.28, 0.00313029/step, 2.68352 hours remaining, 238.351562 MB of memory in use. ENERGY: 1913800 3974.0241 20462.1095 14459.9589 238.8719 -202830.8901 2295.1373 0.0000 0.0000 52482.3428 -108918.4455 301.6167 -161400.7883 -108544.9369 299.7776 -193.0188 -156.4174 762764.1733 14.4603 14.4007 PRESSURE: 1914000 -9.68903 -100.248 149.54 -100.247 -383.334 98.8217 149.541 98.8214 -163.572 GPRESSURE: 1914000 -6.55207 -121.529 113.936 -53.8175 -333.563 111.32 110.092 245.188 -115.777 PRESSAVG: 1914000 -2.64197 -28.582 14.4547 -28.5819 -5.82767 14.8269 14.4547 14.8269 -2.78425 GPRESSAVG: 1914000 -2.86947 -27.7422 12.2061 -27.9487 -6.72812 17.5178 13.4424 13.1163 -1.89902 TIMING: 1914000 CPU: 6036.9, 0.00311975/step Wall: 6036.9, 0.00311975/step, 2.67432 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1914000 4003.9501 20562.7883 14485.9855 230.0487 -203386.7629 2696.3986 0.0000 0.0000 52329.4860 -109078.1057 300.7383 -161407.5916 -108717.2808 299.9575 -185.5318 -151.9640 762116.6458 -3.7513 -3.8322 PRESSURE: 1914200 -443.803 67.4175 93.1643 67.4186 134.162 72.0926 93.164 72.0924 -674.177 GPRESSURE: 1914200 -352.05 -1.05563 144.516 12.2528 72.7641 94.2398 157.705 1.30472 -621.577 PRESSAVG: 1914200 57.5515 -6.94173 28.9717 -6.94169 -5.61613 14.2258 28.9718 14.2258 -23.2711 GPRESSAVG: 1914200 57.7517 -5.6692 29.0659 -8.60933 -4.7682 12.0449 30.7507 15.5309 -24.2119 TIMING: 1914200 CPU: 6037.53, 0.00313135/step Wall: 6037.53, 0.00313135/step, 2.68409 hours remaining, 238.351562 MB of memory in use. ENERGY: 1914200 4098.0442 20633.2027 14514.1085 240.6429 -203598.6502 2789.1136 0.0000 0.0000 52243.8910 -109079.6475 300.2464 -161323.5384 -108725.0841 300.2004 -327.9397 -300.2876 764207.2981 9.5548 9.5905 PRESSURE: 1914400 133.576 77.0342 -16.9479 77.0335 -101.75 -75.2527 -16.9475 -75.2539 -45.3005 GPRESSURE: 1914400 110.153 132.012 -61.68 75.3305 -66.8276 -115.605 -26.1988 -41.0339 18.1534 PRESSAVG: 1914400 -4.13531 -27.8977 -20.3067 -27.8978 5.81149 -25.2622 -20.3067 -25.262 -18.5159 GPRESSAVG: 1914400 -4.07447 -30.188 -18.7631 -27.441 5.50335 -22.4989 -18.7351 -25.7264 -17.4612 TIMING: 1914400 CPU: 6038.16, 0.00313127/step Wall: 6038.16, 0.00313127/step, 2.68385 hours remaining, 238.351562 MB of memory in use. ENERGY: 1914400 4007.7111 20749.7306 14509.8062 230.1255 -203432.0190 2619.3870 0.0000 0.0000 52245.0475 -109070.2110 300.2530 -161315.2585 -108711.0167 300.3576 -4.4916 20.4930 762935.0285 -5.6132 -5.3441 PRESSURE: 1914600 -152.982 83.6102 129.699 83.6114 163.19 88.1529 129.699 88.1529 -40.2047 GPRESSURE: 1914600 -223.21 -18.2693 133.711 7.89192 217.882 2.53919 105.284 127.579 56.429 PRESSAVG: 1914600 22.0626 7.09439 -60.4761 7.09438 2.84461 -25.7904 -60.4761 -25.7904 32.7974 GPRESSAVG: 1914600 22.0284 7.39934 -60.6561 7.1815 2.14956 -26.9814 -62.919 -25.1394 33.8638 TIMING: 1914600 CPU: 6038.78, 0.00313149/step Wall: 6038.78, 0.00313149/step, 2.68386 hours remaining, 238.351562 MB of memory in use. ENERGY: 1914600 4017.7671 20707.0513 14463.7174 272.3536 -203803.9680 2779.0763 0.0000 0.0000 52208.6273 -109355.3750 300.0437 -161564.0023 -108991.3381 300.1619 -9.9988 17.0339 762249.2109 19.2348 19.3472 PRESSURE: 1914800 -7.87766 6.30394 163.659 6.3035 287.205 184.641 163.659 184.641 -160.542 GPRESSURE: 1914800 47.1059 -36.4071 81.5012 40.2158 284.417 221.518 186.878 218.825 -139.633 PRESSAVG: 1914800 16.7348 1.27333 -13.6228 1.2733 -37.7741 50.4371 -13.6228 50.4371 15.4786 GPRESSAVG: 1914800 16.6956 1.68161 -14.0158 3.26447 -36.2582 50.0252 -13.1148 50.4172 13.675 TIMING: 1914800 CPU: 6039.41, 0.00312443/step Wall: 6039.41, 0.00312443/step, 2.67764 hours remaining, 238.351562 MB of memory in use. ENERGY: 1914800 4028.0982 20492.7035 14478.6118 235.5813 -203516.3662 2840.4810 0.0000 0.0000 52092.7638 -109348.1266 299.3778 -161440.8904 -108981.1041 299.4697 39.5952 63.9633 763297.3447 -1.8536 -1.9625 PRESSURE: 1915000 -115.489 -58.6682 -26.8936 -58.669 -156.982 -91.758 -26.8934 -91.7586 -72.3162 GPRESSURE: 1915000 -89.8416 9.72727 -58.1512 24.1152 -104.25 -104.812 83.9657 44.452 -62.5442 PRESSAVG: 1915000 10.8798 -18.8493 9.41405 -18.8492 -42.0446 23.9255 9.41408 23.9256 -8.30801 GPRESSAVG: 1915000 11.0146 -19.6061 9.15879 -17.1133 -42.2916 23.3204 11.7076 25.7131 -8.21308 TIMING: 1915000 CPU: 6040.03, 0.00312602/step Wall: 6040.03, 0.00312602/step, 2.67882 hours remaining, 238.351562 MB of memory in use. ENERGY: 1915000 4013.0038 20550.8024 14541.0717 242.0920 -203072.7690 2342.3493 0.0000 0.0000 52011.7072 -109371.7426 298.9120 -161383.4498 -109012.3440 299.0856 -114.9290 -85.5453 761349.8583 -13.1576 -13.1633 PRESSURE: 1915200 -203.266 -39.5415 89.0171 -39.5415 -288.007 53.9019 89.0171 53.903 -173.97 GPRESSURE: 1915200 -175.215 67.9581 -67.2527 -54.4007 -210.061 94.1181 137.876 -119.717 -190.426 PRESSAVG: 1915200 53.5108 -45.8735 56.4927 -45.8734 -10.0105 -23.3189 56.4927 -23.319 -22.9761 GPRESSAVG: 1915200 52.3553 -43.3752 55.2714 -48.8566 -9.70808 -23.4728 54.8159 -23.671 -22.0866 TIMING: 1915200 CPU: 6040.66, 0.00312632/step Wall: 6040.66, 0.00312632/step, 2.67891 hours remaining, 238.351562 MB of memory in use. ENERGY: 1915200 3920.7876 20520.3535 14487.8928 248.3585 -203136.9512 2518.1611 0.0000 0.0000 51979.5627 -109461.8349 298.7273 -161441.3977 -109097.7909 299.3811 -221.7476 -191.9007 761056.1179 6.8414 6.8535 PRESSURE: 1915400 -436.791 -181.756 119.036 -181.757 -346.581 -0.742017 119.035 -0.742099 -178.926 GPRESSURE: 1915400 -429.616 -310.477 48.9856 -83.5841 -302.219 -9.8599 255.725 -43.4192 -146.932 PRESSAVG: 1915400 24.9361 -35.9182 7.67638 -35.9182 -2.37918 -13.2776 7.67636 -13.2776 -7.74506 GPRESSAVG: 1915400 25.5944 -38.0846 8.47786 -35.3246 -2.61898 -12.9658 8.38292 -13.5617 -8.57029 TIMING: 1915400 CPU: 6041.28, 0.00312412/step Wall: 6041.28, 0.00312412/step, 2.67685 hours remaining, 238.351562 MB of memory in use. ENERGY: 1915400 4043.6122 20394.9367 14526.6833 249.1187 -203008.8888 2263.5764 0.0000 0.0000 51874.9055 -109656.0559 298.1258 -161530.9614 -109300.1980 299.0443 -320.7659 -292.9224 761861.2019 4.9373 4.8017 PRESSURE: 1915600 -178.935 -241.605 -100.88 -241.605 -93.4015 -39.4515 -100.879 -39.4524 -197.219 GPRESSURE: 1915600 -161.291 -159.069 -160.62 -54.9437 5.70758 79.6436 -98.7394 -156.51 -234.858 PRESSAVG: 1915600 -40.4693 -27.4289 55.7128 -27.4289 37.0676 -4.74272 55.7128 -4.74275 26.6718 GPRESSAVG: 1915600 -40.4642 -24.027 57.3859 -30.2187 35.7021 -4.97107 54.7365 -5.21622 27.5566 TIMING: 1915600 CPU: 6041.9, 0.00310798/step Wall: 6041.9, 0.00310798/step, 2.66285 hours remaining, 238.351562 MB of memory in use. ENERGY: 1915600 3996.2558 20520.4997 14442.4623 250.7207 -203335.6317 2581.3371 0.0000 0.0000 52078.3784 -109465.9777 299.2952 -161544.3562 -109114.0856 298.7973 -156.5182 -130.1474 763404.9429 7.7567 7.5982 PRESSURE: 1915800 -56.773 122.72 -62.2899 122.72 -70.4272 -32.0863 -62.2896 -32.0853 440.394 GPRESSURE: 1915800 -39.5182 45.4836 -87.5616 25.1533 13.8915 -10.6201 -10.5189 12.691 436.364 PRESSAVG: 1915800 25.1463 -19.5496 -12.2405 -19.5497 -29.9972 31.0687 -12.2405 31.0687 1.59457 GPRESSAVG: 1915800 26.3209 -21.704 -12.2083 -18.5328 -29.3755 32.1094 -12.9825 30.4451 -0.0955217 TIMING: 1915800 CPU: 6042.53, 0.00313232/step Wall: 6042.53, 0.00313232/step, 2.68353 hours remaining, 238.351562 MB of memory in use. ENERGY: 1915800 3987.4341 20383.1422 14563.1817 249.8793 -203693.7958 2985.5913 0.0000 0.0000 51801.9399 -109722.6273 297.7065 -161524.5672 -109357.2605 298.8881 104.3979 136.9124 763160.3082 -1.0854 -1.0500 PRESSURE: 1916000 -114.354 -91.5304 -88.2055 -91.5295 52.6635 66.6518 -88.2058 66.6519 238.112 GPRESSURE: 1916000 -89.5829 -84.2735 -132.058 -76.601 88.7449 67.5478 -20.3305 45.8648 269.493 PRESSAVG: 1916000 -1.54121 -18.6561 37.469 -18.6561 -7.65662 52.9994 37.469 52.9994 0.348898 GPRESSAVG: 1916000 -1.3549 -21.0644 36.9765 -17.4204 -6.69977 54.3538 36.4311 53.6948 -0.46496 TIMING: 1916000 CPU: 6043.16, 0.00314956/step Wall: 6043.16, 0.00314955/step, 2.69812 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1916000 4030.8552 20654.0163 14497.5638 222.1874 -203632.6057 2548.3281 0.0000 0.0000 52135.1712 -109544.4837 299.6215 -161679.6549 -109187.4875 298.5967 58.8070 89.5517 761598.3352 -2.9496 -2.8399 PRESSURE: 1916200 223.172 -82.1568 20.7565 -82.1572 236.379 124.591 20.7566 124.592 301.331 GPRESSURE: 1916200 291.589 -94.0648 29.0307 -184.755 214.374 159.868 -6.45595 194.417 334.372 PRESSAVG: 1916200 44.4365 -24.6942 -11.8705 -24.6942 -79.7567 1.49683 -11.8706 1.49686 1.74385 GPRESSAVG: 1916200 42.1119 -23.7381 -11.2193 -23.0126 -79.5944 -0.916868 -11.1626 0.538954 4.02131 TIMING: 1916200 CPU: 6043.79, 0.00315089/step Wall: 6043.79, 0.00315089/step, 2.69909 hours remaining, 238.351562 MB of memory in use. ENERGY: 1916200 4042.6054 20574.0232 14436.9720 250.5047 -203617.9343 2701.7708 0.0000 0.0000 52136.4376 -109475.6205 299.6288 -161612.0582 -109111.9728 299.2975 253.6270 280.1118 759957.3741 -11.1921 -11.1537 LDB: ============= START OF LOAD BALANCING ============== 6056.19 LDB: ============== END OF LOAD BALANCING =============== 6056.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6056.19 LDB: ============= START OF LOAD BALANCING ============== 6056.5 LDB: Largest compute 7077 load 0.033055 is 16.9% of average load 0.195860 LDB: Average compute 0.004421 is 2.3% of average load 0.195860 LDB: TIME 6056.51 LOAD: AVG 0.19586 MAX 0.220283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 6056.51 LOAD: AVG 0.19586 MAX 0.220283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: TIME 6056.51 LOAD: AVG 0.19586 MAX 0.220283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6056.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6056.52 PRESSURE: 1916400 364.14 -61.1592 70.4238 -61.1579 348.314 -31.4833 70.4251 -31.4822 -256.711 GPRESSURE: 1916400 242.658 -87.7478 105.977 60.4841 444.048 -32.5575 -61.0192 5.65736 -164.615 PRESSAVG: 1916400 19.6072 -23.0707 25.2759 -23.0706 21.4143 -48.6814 25.2758 -48.6816 7.72345 GPRESSAVG: 1916400 22.4707 -20.8569 25.1605 -22.6171 20.0138 -47.8412 24.6211 -47.6666 6.69858 TIMING: 1916400 CPU: 6044.43, 0.00321495/step Wall: 6044.43, 0.00321495/step, 2.75378 hours remaining, 239.949219 MB of memory in use. ENERGY: 1916400 3922.2301 20680.0127 14454.7943 266.0315 -203742.1520 2937.4494 0.0000 0.0000 52236.1662 -109245.4679 300.2020 -161481.6341 -108894.6204 299.5391 151.9141 174.0303 763116.8242 16.2483 16.3943 PRESSURE: 1916600 240.55 -52.4641 -1.06037 -52.4631 168.012 -31.5683 -1.06041 -31.5663 -37.5606 GPRESSURE: 1916600 201.918 41.4623 42.243 -159.968 226.506 -27.2448 63.3266 9.8388 39.5864 PRESSAVG: 1916600 -2.34796 5.02834 -50.4056 5.02838 47.5732 36.4656 -50.4056 36.4656 26.9397 GPRESSAVG: 1916600 -4.3805 2.10548 -50.9052 3.48202 48.2644 36.0599 -50.9007 37.0704 28.0817 TIMING: 1916600 CPU: 6045.06, 0.00316044/step Wall: 6045.06, 0.00316044/step, 2.70691 hours remaining, 239.949219 MB of memory in use. ENERGY: 1916600 4007.3106 20518.5100 14426.4629 234.5117 -203694.0626 2875.6381 0.0000 0.0000 52373.1624 -109258.4670 300.9893 -161631.6294 -108899.1446 300.2397 123.6672 156.0033 761527.4617 24.0550 23.9885 PRESSURE: 1916800 328.737 99.507 -50.6492 99.506 -13.4983 -143.931 -50.6497 -143.93 -336.661 GPRESSURE: 1916800 344.018 56.1317 -51.7949 35.4604 -25.7722 -127.654 -10.1022 -122.145 -251.556 PRESSAVG: 1916800 -45.862 -25.9882 -67.8717 -25.9882 0.370611 -11.9068 -67.8716 -11.9067 20.1526 GPRESSAVG: 1916800 -45.0404 -26.2119 -67.7765 -26.0108 0.664692 -11.1819 -64.5824 -11.8841 19.2688 TIMING: 1916800 CPU: 6045.7, 0.00315715/step Wall: 6045.7, 0.00315715/step, 2.70393 hours remaining, 239.949219 MB of memory in use. ENERGY: 1916800 4019.3593 20562.4845 14499.2287 261.6201 -203331.8619 2588.7394 0.0000 0.0000 52068.9249 -109331.5050 299.2408 -161400.4299 -108982.2708 299.5694 -7.1407 22.2300 762428.6490 -8.4463 -8.3690 PRESSURE: 1917000 -1.47848 167.604 -75.775 167.604 13.0663 -290.605 -75.7756 -290.605 187.001 GPRESSURE: 1917000 46.2909 112.671 -14.4589 100.1 118.228 -323.81 -157.179 -308.657 120.635 PRESSAVG: 1917000 -2.91783 -36.9323 -34.0293 -36.9322 15.9285 -59.5687 -34.0294 -59.5687 -0.250894 GPRESSAVG: 1917000 -2.88381 -36.7249 -33.4736 -37.551 15.0149 -61.0555 -35.7659 -57.5022 0.903362 TIMING: 1917000 CPU: 6046.32, 0.00313989/step Wall: 6046.32, 0.00313989/step, 2.68897 hours remaining, 239.949219 MB of memory in use. ENERGY: 1917000 3966.6110 20408.6913 14511.6351 255.4241 -203331.7906 2519.5626 0.0000 0.0000 52166.6834 -109503.1833 299.8026 -161669.8667 -109140.5142 299.2351 66.1963 95.0512 760965.2209 4.2533 4.3448 PRESSURE: 1917200 -38.037 165.875 66.7674 165.875 -138.724 68.1348 66.7678 68.1344 -47.1878 GPRESSURE: 1917200 26.0323 46.1807 124.187 187.816 -113.046 61.5617 71.4895 20.5673 -66.6742 PRESSAVG: 1917200 52.5367 -21.2577 -36.04 -21.2577 -38.4169 -16.5359 -36.04 -16.5358 -26.3875 GPRESSAVG: 1917200 52.7219 -21.6568 -37.0799 -19.6193 -38.1431 -15.971 -35.8131 -19.6337 -27.4443 TIMING: 1917200 CPU: 6046.95, 0.00313634/step Wall: 6046.95, 0.00313634/step, 2.68575 hours remaining, 239.949219 MB of memory in use. ENERGY: 1917200 4009.6370 20393.7745 14427.8581 248.8351 -202878.0353 2228.9346 0.0000 0.0000 52072.8813 -109496.1148 299.2636 -161568.9961 -109126.7569 298.8357 -74.6496 -51.2293 761159.5820 -4.0892 -4.2885 PRESSURE: 1917400 135.319 -42.4786 -43.1571 -42.4786 66.1443 -197.293 -43.1562 -197.294 277.126 GPRESSURE: 1917400 161.982 -44.9141 -1.33847 -61.5883 109.066 -193.556 -24.21 37.292 293.1 PRESSAVG: 1917400 30.8853 24.3892 -8.43835 24.3893 -22.1676 17.7938 -8.43836 17.7938 12.6831 GPRESSAVG: 1917400 29.7895 26.4411 -7.07252 21.2523 -21.6831 17.6936 -9.45734 21.9221 12.5447 TIMING: 1917400 CPU: 6047.58, 0.00313842/step Wall: 6047.58, 0.00313842/step, 2.68736 hours remaining, 239.949219 MB of memory in use. ENERGY: 1917400 3979.6196 20483.7952 14415.5782 260.7546 -203459.5442 2730.1483 0.0000 0.0000 52197.5086 -109392.1397 299.9798 -161589.6484 -109042.0452 299.5440 159.5297 188.0494 760460.3150 7.1336 6.8837 PRESSURE: 1917600 151.338 -12.9851 -13.9488 -12.9846 -183.851 233.43 -13.949 233.432 111.759 GPRESSURE: 1917600 144.577 -14.6165 30.9521 -40.0034 -103.737 286.707 -118.547 55.512 118.831 PRESSAVG: 1917600 7.23172 19.9417 -56.7 19.9417 -12.6499 16.9539 -56.7 16.9539 18.6243 GPRESSAVG: 1917600 7.6829 16.8405 -58.491 23.201 -12.7359 15.9086 -54.8327 15.3673 17.9664 TIMING: 1917600 CPU: 6048.21, 0.00314587/step Wall: 6048.21, 0.00314587/step, 2.69356 hours remaining, 239.949219 MB of memory in use. ENERGY: 1917600 3988.8244 20312.5574 14407.0678 247.5298 -203471.9580 2789.1013 0.0000 0.0000 52276.0044 -109450.8729 300.4309 -161726.8773 -109085.9156 299.3202 26.4155 53.2235 762301.6717 4.4021 4.3044 PRESSURE: 1917800 123.515 142.868 -7.05833 142.868 -0.488121 -129.468 -7.05791 -129.468 -447.374 GPRESSURE: 1917800 154.763 76.9304 12.1338 112.609 96.6168 -145.694 -1.15058 -1.71443 -486.933 PRESSAVG: 1917800 71.4236 21.813 -22.5898 21.813 -33.9835 11.1095 -22.5898 11.1095 -17.7422 GPRESSAVG: 1917800 71.6235 23.4124 -23.0448 21.3966 -33.5879 11.0125 -24.0679 11.7227 -17.2693 TIMING: 1917800 CPU: 6048.84, 0.00315786/step Wall: 6048.84, 0.00315786/step, 2.70366 hours remaining, 239.949219 MB of memory in use. ENERGY: 1917800 4038.4060 20488.7394 14439.7605 248.4692 -203681.8982 2852.9570 0.0000 0.0000 52138.4326 -109475.1336 299.6403 -161613.5662 -109109.4146 298.7041 -108.1158 -78.5177 761681.2069 6.5659 6.9221 PRESSURE: 1918000 -143.412 207.326 -22.8956 207.326 -313.656 125.924 -22.8961 125.924 -286.185 GPRESSURE: 1918000 -44.3742 102.001 -8.57289 209.486 -252.211 198.188 -28.8522 129.395 -362.445 PRESSAVG: 1918000 35.9397 -0.437428 -32.7756 -0.437395 -22.5645 -17.6162 -32.7755 -17.6163 -13.0433 GPRESSAVG: 1918000 36.7562 -0.803242 -32.2433 0.211445 -22.0569 -16.5812 -32.7651 -17.51 -14.2257 TIMING: 1918000 CPU: 6049.47, 0.0031328/step Wall: 6049.47, 0.0031328/step, 2.68203 hours remaining, 239.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1918000 3975.5248 20413.4509 14474.0326 256.2523 -202986.3779 2176.9266 0.0000 0.0000 52011.2162 -109678.9744 298.9092 -161690.1906 -109315.0818 298.9179 -247.7511 -219.6768 760603.3781 0.1106 0.1579 PRESSURE: 1918200 36.7588 -23.5543 -93.3569 -23.5542 397.656 -126.771 -93.3566 -126.771 -192.669 GPRESSURE: 1918200 99.6003 17.3811 -113.55 -81.654 345.207 -173.924 -47.409 -117.291 -132.361 PRESSAVG: 1918200 21.9321 -13.3079 22.0523 -13.308 -59.3328 6.189 22.0523 6.18897 -10.7064 GPRESSAVG: 1918200 21.7015 -9.09385 21.9681 -15.7421 -61.4219 6.06697 23.6994 4.061 -8.86072 TIMING: 1918200 CPU: 6050.1, 0.00316046/step Wall: 6050.1, 0.00316046/step, 2.70553 hours remaining, 239.949219 MB of memory in use. ENERGY: 1918200 3943.6025 20553.7088 14381.3674 230.2726 -203564.7390 2699.3719 0.0000 0.0000 52049.0565 -109707.3592 299.1266 -161756.4157 -109358.1894 298.7788 80.5820 104.1487 758516.4251 -16.0357 -16.1937 PRESSURE: 1918400 85.7124 -40.6248 -77.9448 -40.6252 49.0758 20.593 -77.943 20.5925 288.029 GPRESSURE: 1918400 133.369 -170.179 -14.7314 -7.94478 165.063 4.99913 -187.712 41.2554 234.255 PRESSAVG: 1918400 4.84074 -75.0945 -48.7702 -75.0945 10.7983 -3.34208 -48.7703 -3.342 13.2905 GPRESSAVG: 1918400 3.73576 -79.0089 -49.1018 -74.5604 12.7082 -4.28814 -50.6571 -2.84251 12.65 TIMING: 1918400 CPU: 6050.73, 0.00315691/step Wall: 6050.73, 0.00315691/step, 2.70232 hours remaining, 239.949219 MB of memory in use. ENERGY: 1918400 3957.9146 20388.9217 14447.9934 267.7144 -203223.3237 2599.6329 0.0000 0.0000 51923.9432 -109637.2035 298.4076 -161561.1467 -109274.3690 298.9166 140.9389 177.5622 760154.0279 9.6432 9.6980 PRESSURE: 1918600 -240.033 -95.2572 -32.9896 -95.2569 -22.4679 -58.1213 -32.9891 -58.1206 351.385 GPRESSURE: 1918600 -279.361 -23.3771 -51.0558 -50.5764 70.8045 -4.39711 49.5757 37.6981 391.016 PRESSAVG: 1918600 -15.5972 -29.3753 -26.2552 -29.3752 22.7943 7.45457 -26.2552 7.45457 5.50713 GPRESSAVG: 1918600 -15.2224 -30.8791 -27.0707 -27.1643 22.9607 8.88898 -23.5035 7.34555 4.87114 TIMING: 1918600 CPU: 6051.36, 0.00314593/step Wall: 6051.36, 0.00314593/step, 2.69274 hours remaining, 239.949219 MB of memory in use. ENERGY: 1918600 3910.4975 20510.6022 14410.2366 252.8444 -203241.7930 2525.0615 0.0000 0.0000 52338.7515 -109293.7994 300.7915 -161632.5509 -108940.2848 299.6141 29.6278 60.8199 759519.3130 4.2347 4.2031 PRESSURE: 1918800 -394.619 37.846 -135.065 37.8463 -107.111 -167.981 -135.065 -167.981 153.766 GPRESSURE: 1918800 -380.496 155.265 -53.9807 -80.0712 -51.8509 -215.686 -165.31 -135.501 176.565 PRESSAVG: 1918800 -34.0956 -14.7454 -52.9663 -14.7454 29.0123 -60.9669 -52.9662 -60.967 -4.07429 GPRESSAVG: 1918800 -34.5126 -11.1371 -50.1709 -17.0589 27.2629 -61.1988 -55.6953 -59.4627 -1.78458 TIMING: 1918800 CPU: 6051.99, 0.00314799/step Wall: 6051.99, 0.00314799/step, 2.69433 hours remaining, 239.949219 MB of memory in use. ENERGY: 1918800 3968.8342 20463.9818 14406.2361 234.5720 -203109.3334 2536.6832 0.0000 0.0000 52284.0325 -109214.9937 300.4771 -161499.0261 -108857.7677 299.3896 -115.9883 -85.2608 759375.5711 -3.0525 -3.0114 PRESSURE: 1919000 78.9018 -244.535 141.895 -244.536 -164.341 23.9463 141.895 23.9464 65.1696 GPRESSURE: 1919000 171.524 -189.298 141.241 -260.656 -116.882 -69.6381 125.82 5.38527 -10.3174 PRESSAVG: 1919000 18.0911 -33.8842 -59.6843 -33.8841 8.7356 -11.3529 -59.6844 -11.3529 -10.2747 GPRESSAVG: 1919000 19.0922 -33.6291 -60.1631 -34.0339 9.41243 -11.5374 -59.8691 -11.7577 -11.8863 TIMING: 1919000 CPU: 6052.62, 0.00314075/step Wall: 6052.62, 0.00314076/step, 2.68796 hours remaining, 239.949219 MB of memory in use. ENERGY: 1919000 4022.1328 20401.8531 14450.4667 242.8607 -203594.1697 2749.1317 0.0000 0.0000 52434.3758 -109293.3489 301.3411 -161727.7248 -108935.1284 299.5847 -6.7567 14.7748 761044.3139 5.5173 5.5395 PRESSURE: 1919200 574.285 48.7152 -261.384 48.7143 175.267 99.4889 -261.384 99.4887 -300.971 GPRESSURE: 1919200 540.77 -62.3895 -360.32 122.206 213.778 48.5992 -188.495 63.3991 -212.972 PRESSAVG: 1919200 40.7051 -2.04048 11.0078 -2.04048 -25.3453 -20.1851 11.0079 -20.1852 -10.9527 GPRESSAVG: 1919200 40.6959 -4.81408 9.43433 -1.78343 -25.5089 -20.4789 11.8825 -20.9951 -11.0901 TIMING: 1919200 CPU: 6053.25, 0.00314792/step Wall: 6053.25, 0.00314792/step, 2.69392 hours remaining, 239.949219 MB of memory in use. ENERGY: 1919200 4006.1469 20573.5233 14444.5919 245.5441 -203583.2752 3009.1037 0.0000 0.0000 51955.6316 -109348.7335 298.5897 -161304.3651 -108989.7531 299.7593 149.5270 180.5252 760703.3032 1.4690 1.3656 PRESSURE: 1919400 -100.262 -47.6237 -112.977 -47.6237 -141.451 -231.69 -112.978 -231.69 -123.897 GPRESSURE: 1919400 -54.9348 -25.3135 -147.894 -95.3655 -124.211 -274.633 -83.5111 -73.6606 -107.204 PRESSAVG: 1919400 -26.1265 7.04767 -50.7433 7.04759 -23.5715 -18.043 -50.7433 -18.043 8.61746 GPRESSAVG: 1919400 -26.5253 9.23396 -49.8721 6.87177 -23.2617 -16.4408 -52.2636 -17.7937 8.93038 TIMING: 1919400 CPU: 6053.88, 0.00315056/step Wall: 6053.88, 0.00315056/step, 2.696 hours remaining, 239.949219 MB of memory in use. ENERGY: 1919400 3927.4874 20545.5686 14364.5100 258.2557 -202810.9030 2357.1257 0.0000 0.0000 52294.6992 -109063.2562 300.5384 -161357.9554 -108699.2195 299.8483 -121.8697 -95.4499 761681.3225 -13.6935 -13.6189 PRESSURE: 1919600 -268.281 160.628 212.531 160.628 -257.79 161.303 212.531 161.303 -214.916 GPRESSURE: 1919600 -332.623 98.3677 180.322 214.396 -142.475 79.0414 155.66 171.549 -196.321 PRESSAVG: 1919600 53.353 25.5892 -56.3226 25.5892 17.969 -13.2245 -56.3226 -13.2245 -4.51087 GPRESSAVG: 1919600 53.1513 23.4114 -57.0294 26.6974 17.3342 -13.5165 -53.7118 -14.0287 -3.61964 TIMING: 1919600 CPU: 6054.5, 0.0031385/step Wall: 6054.5, 0.0031385/step, 2.68551 hours remaining, 239.949219 MB of memory in use. ENERGY: 1919600 3999.7588 20859.9853 14411.2393 248.0369 -202827.7385 2108.7840 0.0000 0.0000 52045.0906 -109154.8436 299.1039 -161199.9342 -108795.5262 300.1781 -246.9961 -223.8062 762906.4683 22.2704 22.2886 PRESSURE: 1919800 187.148 -217.742 -92.7985 -217.74 453.04 -60.9662 -92.7991 -60.9659 -75.3244 GPRESSURE: 1919800 240.935 -170.408 -82.6554 -216.138 428.835 -29.3068 -46.6082 -37.0422 -12.8992 PRESSAVG: 1919800 17.2907 3.95647 -5.30136 3.95645 -37.9162 -28.0733 -5.30143 -28.0732 -5.09144 GPRESSAVG: 1919800 17.6177 4.46855 -4.07296 5.12995 -38.1178 -29.0054 -5.91202 -25.5683 -5.40366 TIMING: 1919800 CPU: 6055.13, 0.00314301/step Wall: 6055.13, 0.00314301/step, 2.68919 hours remaining, 239.949219 MB of memory in use. ENERGY: 1919800 3968.8846 20667.6761 14482.4089 240.5752 -203323.0145 2827.3709 0.0000 0.0000 52145.0782 -108991.0206 299.6785 -161136.0988 -108626.9285 300.1763 188.2879 218.9568 761332.5849 -8.5723 -8.6346 PRESSURE: 1920000 -368.439 -108.694 89.3471 -108.693 -114.493 40.9022 89.348 40.9014 297.601 GPRESSURE: 1920000 -273.248 -28.6956 24.5452 38.3619 -115.172 49.0558 68.2557 0.0564235 288.149 PRESSAVG: 1920000 34.6463 24.5779 19.8132 24.5779 8.37364 -58.3306 19.8131 -58.3307 2.14311 GPRESSAVG: 1920000 34.6553 25.9349 19.7552 23.0837 9.11713 -57.7861 17.9385 -59.8191 1.70633 TIMING: 1920000 CPU: 6055.76, 0.00312883/step Wall: 6055.76, 0.00312883/step, 2.67689 hours remaining, 239.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1920000 3999.7271 20632.9651 14483.6749 239.5926 -202976.6531 2575.5667 0.0000 0.0000 52298.5805 -108746.5461 300.5607 -161045.1266 -108386.7019 301.0092 -61.7770 -33.4235 761430.5647 15.0544 15.1596 PRESSURE: 1920200 27.0389 -54.0286 258.176 -54.0287 -91.425 -56.1171 258.176 -56.1156 172.433 GPRESSURE: 1920200 106.949 51.3726 324.817 -20.3888 -94.6352 -153.42 263.698 14.5794 162.97 PRESSAVG: 1920200 18.6576 -28.9575 17.5794 -28.9576 -57.2068 -48.1537 17.5794 -48.1537 23.2161 GPRESSAVG: 1920200 18.9579 -28.4318 16.6623 -29.5268 -56.8629 -48.1884 18.6836 -49.7589 23.095 TIMING: 1920200 CPU: 6056.38, 0.00311388/step Wall: 6056.38, 0.00311388/step, 2.66392 hours remaining, 239.949219 MB of memory in use. ENERGY: 1920200 4040.6451 20717.8217 14476.8732 250.5092 -203300.1846 2828.1441 0.0000 0.0000 52445.3526 -108540.8387 301.4042 -160986.1914 -108178.1303 301.1810 36.0156 58.4280 761469.8350 -5.1111 -4.9367 LDB: ============= START OF LOAD BALANCING ============== 6068.78 LDB: ============== END OF LOAD BALANCING =============== 6068.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6068.78 LDB: ============= START OF LOAD BALANCING ============== 6069.09 LDB: Largest compute 7077 load 0.034022 is 17.4% of average load 0.195990 LDB: Average compute 0.004393 is 2.2% of average load 0.195990 LDB: TIME 6069.1 LOAD: AVG 0.19599 MAX 0.224638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.492 MB LDB: TIME 6069.1 LOAD: AVG 0.19599 MAX 0.224638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: TIME 6069.1 LOAD: AVG 0.19599 MAX 0.224638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6069.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6069.1 PRESSURE: 1920400 -6.44886 -32.1293 160.939 -32.1294 -119.377 -141.969 160.939 -141.967 -29.7116 GPRESSURE: 1920400 7.59803 -34.7978 130.566 62.0198 -56.1287 -138.073 148.582 -44.4788 -5.60993 PRESSAVG: 1920400 14.5035 30.9083 -10.5855 30.9082 43.0471 -20.0212 -10.5855 -20.0212 -0.533143 GPRESSAVG: 1920400 15.7141 30.8397 -11.1018 31.3493 42.4388 -21.3669 -10.1317 -18.1345 -1.28567 TIMING: 1920400 CPU: 6057.02, 0.00320332/step Wall: 6057.02, 0.00320332/step, 2.74027 hours remaining, 238.410156 MB of memory in use. ENERGY: 1920400 4072.1034 20609.9961 14551.6808 246.1211 -203073.5532 2423.6523 0.0000 0.0000 52140.5100 -109029.4895 299.6522 -161169.9995 -108665.2644 301.0046 -51.8459 -18.0468 759575.6737 19.0058 18.9558 PRESSURE: 1920600 -251.518 98.5431 65.3085 98.5429 -23.6909 -63.0278 65.3098 -63.0282 191.67 GPRESSURE: 1920600 -105.143 -64.6458 -1.41029 26.3501 -45.1439 -69.6754 147.065 -99.4003 161.063 PRESSAVG: 1920600 -0.181165 9.19411 23.8651 9.19414 10.0758 -9.14477 23.8651 -9.14474 7.68107 GPRESSAVG: 1920600 -1.39339 8.91878 23.8019 11.3851 10.0435 -7.34604 23.275 -11.922 8.79072 TIMING: 1920600 CPU: 6057.65, 0.00312329/step Wall: 6057.65, 0.00312329/step, 2.67163 hours remaining, 238.613281 MB of memory in use. ENERGY: 1920600 3923.3042 20681.6317 14476.8189 257.0351 -203191.2238 2668.9142 0.0000 0.0000 52195.8693 -108987.6504 299.9704 -161183.5197 -108627.0772 300.7257 -27.8462 3.5919 761382.0583 5.8586 5.8136 PRESSURE: 1920800 262.605 -78.9773 126.985 -78.9771 74.2277 70.2638 126.985 70.2641 116.917 GPRESSURE: 1920800 179.727 36.6861 175.361 -212.497 173.855 62.15 8.8782 10.75 200.209 PRESSAVG: 1920800 26.6633 -17.7501 47.7528 -17.7502 -9.77544 -34.4739 47.7529 -34.4739 -6.13223 GPRESSAVG: 1920800 25.0819 -16.54 49.5778 -19.0283 -8.11446 -37.0401 48.3329 -31.7016 -6.41743 TIMING: 1920800 CPU: 6058.27, 0.0031345/step Wall: 6058.27, 0.0031345/step, 2.68104 hours remaining, 238.613281 MB of memory in use. ENERGY: 1920800 3946.9129 20551.6518 14436.6184 250.0245 -203266.9271 2736.7944 0.0000 0.0000 52323.8664 -109021.0586 300.7060 -161344.9250 -108649.5879 300.7559 151.2501 184.5970 761299.4865 3.5852 3.5167 PRESSURE: 1921000 156.945 14.8783 -184.787 14.8781 309.182 -83.1254 -184.787 -83.1244 -183.295 GPRESSURE: 1921000 198.197 92.4927 -233.24 2.64415 278.077 -80.3798 -161.533 6.01717 -115.632 PRESSAVG: 1921000 -47.4753 -21.1488 -34.3644 -21.1487 42.7234 -42.8645 -34.3644 -42.8644 14.9554 GPRESSAVG: 1921000 -46.2322 -21.7233 -35.708 -21.8393 41.1835 -43.0261 -36.3792 -45.247 15.8689 TIMING: 1921000 CPU: 6058.9, 0.00314448/step Wall: 6058.9, 0.00314448/step, 2.6894 hours remaining, 238.613281 MB of memory in use. ENERGY: 1921000 4027.0062 20548.6933 14440.5146 247.4423 -203454.5924 2899.2879 0.0000 0.0000 52535.4899 -108756.1581 301.9222 -161291.6480 -108394.6294 300.6427 94.2774 120.2140 761814.5511 3.4012 3.6068 PRESSURE: 1921200 -125.747 71.4992 -135.289 71.4997 21.6586 -36.5426 -135.288 -36.5432 267.791 GPRESSURE: 1921200 -84.4426 24.084 -174.572 207.755 11.8871 -12.4028 -158.236 43.1261 306.8 PRESSAVG: 1921200 37.2081 -27.0207 -87.7372 -27.0207 -31.1451 -12.1254 -87.7373 -12.1254 -9.22856 GPRESSAVG: 1921200 37.9334 -28.145 -87.6 -27.6584 -30.5544 -10.5186 -86.8208 -9.20968 -10.3149 TIMING: 1921200 CPU: 6059.53, 0.00313799/step Wall: 6059.53, 0.00313799/step, 2.68368 hours remaining, 238.613281 MB of memory in use. ENERGY: 1921200 4090.8731 20674.2683 14405.5970 249.5862 -203294.2737 2683.7928 0.0000 0.0000 52415.9026 -108774.2536 301.2349 -161190.1562 -108424.3308 300.6337 54.5678 78.0815 762344.7457 -1.0552 -0.9786 PRESSURE: 1921400 -26.7183 243.762 -199.372 243.761 -381.859 -157.659 -199.372 -157.659 -437.319 GPRESSURE: 1921400 -161.713 274.142 -129.278 266.926 -243.399 -140.47 -379.686 -178.092 -369.52 PRESSAVG: 1921400 90.9108 33.0504 -18.4443 33.0504 -43.4062 0.616811 -18.4443 0.616794 6.18061 GPRESSAVG: 1921400 90.2955 32.3567 -18.3102 34.4546 -42.5705 0.482104 -18.1152 -0.0775266 6.22134 TIMING: 1921400 CPU: 6060.16, 0.0031326/step Wall: 6060.16, 0.0031326/step, 2.6789 hours remaining, 238.613281 MB of memory in use. ENERGY: 1921400 4014.9216 20760.8188 14488.9836 236.9584 -202798.2542 2052.6705 0.0000 0.0000 52399.7096 -108844.1918 301.1419 -161243.9014 -108482.6375 300.7163 -281.9657 -258.2109 763158.4189 17.8951 17.9821 PRESSURE: 1921600 4.91199 -212.495 224.57 -212.495 -81.9168 -69.2826 224.57 -69.2828 5.8402 GPRESSURE: 1921600 155.814 -154.731 208.545 -45.9137 -155.411 -3.90324 171.431 -39.6365 7.03509 PRESSAVG: 1921600 19.9213 16.5442 -52.6838 16.5442 -45.0946 -18.4989 -52.6838 -18.499 11.1255 GPRESSAVG: 1921600 20.0936 17.4863 -53.216 16.4759 -45.7647 -16.055 -52.6295 -20.5431 11.466 TIMING: 1921600 CPU: 6060.78, 0.00313525/step Wall: 6060.78, 0.00313525/step, 2.68099 hours remaining, 238.613281 MB of memory in use. ENERGY: 1921600 3967.5147 20535.1665 14500.0774 251.9146 -202630.8302 2250.0123 0.0000 0.0000 52391.2822 -108734.8624 301.0934 -161126.1447 -108377.4397 300.0725 -23.7215 2.4795 762069.1453 -4.6826 -4.7351 PRESSURE: 1921800 105.928 113.184 25.0724 113.183 207.326 -168.045 25.0725 -168.046 -99.3037 GPRESSURE: 1921800 206.904 119.1 58.3782 68.7336 206.788 -259.777 4.8002 -157.395 -93.224 PRESSAVG: 1921800 9.8187 34.3561 8.01316 34.356 -19.5981 -49.8335 8.0132 -49.8334 -18.0777 GPRESSAVG: 1921800 9.38015 36.3412 6.8779 32.5486 -17.7771 -51.3985 9.35912 -48.7095 -19.6547 TIMING: 1921800 CPU: 6061.41, 0.00314559/step Wall: 6061.41, 0.00314559/step, 2.68965 hours remaining, 238.613281 MB of memory in use. ENERGY: 1921800 3966.8523 20668.9086 14505.8686 236.8266 -202787.5999 2539.3721 0.0000 0.0000 52179.4701 -108690.3016 299.8761 -160869.7716 -108330.4789 300.9032 71.3166 106.8224 762263.4744 -9.2857 -9.3506 PRESSURE: 1922000 420.168 149.113 213.552 149.113 194.358 -32.4876 213.552 -32.4869 162.035 GPRESSURE: 1922000 405.113 107.023 251.11 147.838 237.491 25.6177 215.456 -36.7705 230.672 PRESSAVG: 1922000 2.81545 46.787 -39.0753 46.787 -15.243 -29.3126 -39.0753 -29.3126 22.5809 GPRESSAVG: 1922000 3.33614 43.6156 -37.8284 47.9123 -16.8603 -30.3861 -38.8101 -29.5997 23.4337 TIMING: 1922000 CPU: 6062.04, 0.00313712/step Wall: 6062.04, 0.00313712/step, 2.68224 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1922000 4030.7762 20615.5717 14469.8028 246.6747 -203213.1173 2796.1465 0.0000 0.0000 52272.3858 -108781.7596 300.4101 -161054.1454 -108435.0982 300.2165 258.8537 291.0918 760953.2324 3.3845 3.3032 PRESSURE: 1922200 -15.2735 -202.292 -10.5557 -202.291 -301.491 269.559 -10.5558 269.56 -218.139 GPRESSURE: 1922200 -46.2384 -159.606 -109.178 -182.233 -283.905 262.032 141.184 325.103 -121.623 PRESSAVG: 1922200 6.96648 -39.2033 -3.93464 -39.2033 50.8496 1.9021 -3.93467 1.90217 1.19753 GPRESSAVG: 1922200 6.01473 -37.8496 -4.3428 -40.5073 51.9762 3.33858 -5.33428 1.98589 1.06439 TIMING: 1922200 CPU: 6062.67, 0.00314753/step Wall: 6062.67, 0.00314753/step, 2.69096 hours remaining, 238.613281 MB of memory in use. ENERGY: 1922200 3956.6021 20661.4719 14449.2283 244.9192 -202895.4257 2576.5043 0.0000 0.0000 52179.9620 -108826.7380 299.8790 -161006.7000 -108460.0207 300.8137 -178.3010 -150.5889 763436.2562 19.6712 19.6851 PRESSURE: 1922400 90.2704 35.1678 213.06 35.1688 -107.271 -121.703 213.061 -121.703 -62.0502 GPRESSURE: 1922400 147.933 60.2581 203.62 13.514 -145.133 -183.203 71.0543 -150.801 13.2097 PRESSAVG: 1922400 20.6646 1.70023 -36.7465 1.70027 18.7458 20.7521 -36.7465 20.7522 -16.1997 GPRESSAVG: 1922400 20.7368 0.905786 -35.9224 5.51801 18.2925 19.7311 -37.962 22.8897 -15.9269 TIMING: 1922400 CPU: 6063.3, 0.00314315/step Wall: 6063.3, 0.00314315/step, 2.68704 hours remaining, 238.613281 MB of memory in use. ENERGY: 1922400 4023.9939 20648.4535 14429.4149 234.1882 -202870.0274 2447.9207 0.0000 0.0000 52220.4984 -108865.5577 300.1119 -161086.0562 -108512.0869 300.6038 -26.3503 5.3366 762847.8438 7.7369 7.7008 PRESSURE: 1922600 -377.798 124.832 -68.5885 124.832 -115.433 -87.4712 -68.5878 -87.471 -300.517 GPRESSURE: 1922600 -366.475 243.133 -109.172 45.7996 -82.2787 -166.575 -45.587 -123.805 -286.803 PRESSAVG: 1922600 72.2582 -5.54007 -3.70624 -5.54007 5.47904 -38.7669 -3.70628 -38.7669 9.95819 GPRESSAVG: 1922600 71.0842 -7.37198 -3.47805 -7.63289 4.64168 -38.5687 -3.0901 -39.4569 12.1065 TIMING: 1922600 CPU: 6063.93, 0.00314587/step Wall: 6063.93, 0.00314587/step, 2.6892 hours remaining, 238.613281 MB of memory in use. ENERGY: 1922600 3971.8758 20709.3253 14560.7774 253.0940 -203016.0867 2309.5669 0.0000 0.0000 52387.2190 -108824.2283 301.0701 -161211.4473 -108461.8472 300.6978 -264.5826 -245.1857 761869.3458 29.2318 29.2775 PRESSURE: 1922800 183.561 40.8605 29.8169 40.8601 -155.359 2.91558 29.8162 2.91583 131.896 GPRESSURE: 1922800 188.88 222.651 62.7595 30.1212 -58.9978 -15.253 59.9466 51.2011 110.039 PRESSAVG: 1922800 -18.2712 -6.23497 -84.4614 -6.23504 12.8813 -29.0102 -84.4614 -29.0101 -6.60343 GPRESSAVG: 1922800 -15.4709 -3.12022 -83.8228 -9.13808 13.5308 -27.9529 -83.428 -28.5421 -9.83146 TIMING: 1922800 CPU: 6064.55, 0.00312756/step Wall: 6064.55, 0.00312756/step, 2.67337 hours remaining, 238.613281 MB of memory in use. ENERGY: 1922800 4002.1814 20546.9205 14519.2835 233.8574 -202785.1162 2433.4565 0.0000 0.0000 52291.0304 -108758.3864 300.5173 -161049.4168 -108389.9285 300.3540 53.3661 79.9736 762180.2578 -3.9978 -3.9238 PRESSURE: 1923000 158.936 -151.71 64.1164 -151.711 -156.527 -145.643 64.1161 -145.642 576.228 GPRESSURE: 1923000 83.1601 -20.3156 61.6851 -177.887 -74.7708 -105.727 -47.5425 -91.5324 679.44 PRESSAVG: 1923000 -24.586 24.6433 -41.0814 24.6433 13.9317 19.9798 -41.0814 19.9798 1.73115 GPRESSAVG: 1923000 -26.1944 23.4101 -42.3958 26.4219 12.5938 20.9286 -41.8879 17.1519 4.72137 TIMING: 1923000 CPU: 6065.18, 0.00314843/step Wall: 6065.18, 0.00314843/step, 2.69103 hours remaining, 238.613281 MB of memory in use. ENERGY: 1923000 3968.7499 20519.6962 14493.2488 234.4311 -203068.0745 2603.5820 0.0000 0.0000 52417.7897 -108830.5769 301.2458 -161248.3665 -108462.8337 300.0307 192.8793 229.2765 761652.8421 -2.9744 -2.9598 PRESSURE: 1923200 -17.8669 129.883 208.383 129.885 -68.5252 -42.1861 208.383 -42.1852 -161.264 GPRESSURE: 1923200 46.5075 129.662 107.446 169.394 -44.6497 -96.9487 176.443 -20.2059 -159.776 PRESSAVG: 1923200 45.3184 33.8235 -6.76809 33.8235 -37.3066 -21.1766 -6.76808 -21.1766 6.44037 GPRESSAVG: 1923200 47.0411 34.6218 -5.45501 31.4749 -36.4846 -22.1782 -5.28104 -19.5282 3.7893 TIMING: 1923200 CPU: 6065.81, 0.00313419/step Wall: 6065.81, 0.00313419/step, 2.67869 hours remaining, 238.613281 MB of memory in use. ENERGY: 1923200 3981.4373 20712.0925 14432.9735 247.3818 -203064.2701 2489.3777 0.0000 0.0000 52240.7766 -108960.2307 300.2285 -161201.0074 -108594.5448 300.4902 -82.5520 -52.6395 760485.2666 4.8174 4.7819 PRESSURE: 1923400 -392.803 245.389 125.774 245.389 -6.62128 32.739 125.773 32.74 -2.1459 GPRESSURE: 1923400 -295.66 96.326 46.3146 145.175 -88.7133 86.5266 88.1186 -61.3936 57.5798 PRESSAVG: 1923400 5.49088 -19.6113 -23.5512 -19.6113 -19.7422 -29.7399 -23.5512 -29.7399 4.04874 GPRESSAVG: 1923400 4.38826 -19.6661 -24.6047 -17.9463 -18.9273 -29.6634 -25.1874 -30.3081 4.56157 TIMING: 1923400 CPU: 6066.44, 0.00313977/step Wall: 6066.44, 0.00313977/step, 2.68329 hours remaining, 238.613281 MB of memory in use. ENERGY: 1923400 4065.2246 20650.1053 14442.1427 265.7647 -203032.8777 2406.1633 0.0000 0.0000 52262.8745 -108940.6026 300.3555 -161203.4772 -108575.6900 300.2180 -133.8568 -108.9312 760028.8262 -3.4009 -3.3258 PRESSURE: 1923600 160.025 147.314 177.574 147.314 -179.38 57.4172 177.575 57.4167 -61.915 GPRESSURE: 1923600 118.378 63.178 178.886 87.9132 -95.0118 8.31275 267.689 5.15417 -10.02 PRESSAVG: 1923600 40.6306 6.43841 18.1942 6.4384 -29.2125 -1.19422 18.1942 -1.19424 16.288 GPRESSAVG: 1923600 40.3708 6.45348 18.3054 7.17341 -29.8648 -0.80582 18.0223 -1.23674 17.0013 TIMING: 1923600 CPU: 6067.07, 0.0031482/step Wall: 6067.07, 0.0031482/step, 2.69031 hours remaining, 238.613281 MB of memory in use. ENERGY: 1923600 3933.9681 20567.8849 14376.8642 271.2980 -203052.4773 2604.3447 0.0000 0.0000 52403.4521 -108894.6653 301.1634 -161298.1174 -108524.2372 300.4858 -27.0903 4.4486 761348.9775 9.2354 9.1691 PRESSURE: 1923800 -202.07 45.6481 138.446 45.6487 -135.599 -83.8065 138.445 -83.8054 -408.338 GPRESSURE: 1923800 -168.417 -46.1136 118.082 104.748 -179.776 -68.4692 37.4232 -15.528 -334.422 PRESSAVG: 1923800 -12.4292 22.6242 17.3717 22.6242 -36.9457 -6.67526 17.3717 -6.67522 -4.61321 GPRESSAVG: 1923800 -11.6946 22.7903 17.6359 21.9216 -37.5688 -6.66479 18.2088 -6.14021 -5.46218 TIMING: 1923800 CPU: 6067.7, 0.00313995/step Wall: 6067.7, 0.00313995/step, 2.68309 hours remaining, 238.613281 MB of memory in use. ENERGY: 1923800 4077.9617 20691.8365 14385.6884 244.7358 -202411.2186 1816.6206 0.0000 0.0000 52330.3242 -108864.0514 300.7431 -161194.3756 -108501.3674 299.9064 -248.6690 -227.5381 763477.9843 -17.9961 -18.2419 PRESSURE: 1924000 -453.741 -21.1162 -54.7959 -21.1167 -170.349 183.327 -54.7961 183.326 -678.928 GPRESSURE: 1924000 -454.474 17.1921 -142.691 60.9491 -148.964 210.58 -57.8135 156.989 -606.063 PRESSAVG: 1924000 61.2156 36.7575 -23.5756 36.7575 -42.7372 -39.6769 -23.5756 -39.6768 18.5897 GPRESSAVG: 1924000 59.9803 37.5261 -23.9233 36.65 -42.0744 -39.3169 -23.0265 -40.6774 19.6229 TIMING: 1924000 CPU: 6068.32, 0.00313162/step Wall: 6068.32, 0.00313162/step, 2.67579 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1924000 4088.3830 20624.8545 14461.0388 249.9416 -202914.6735 2343.7788 0.0000 0.0000 52355.1032 -108791.5736 300.8855 -161146.6768 -108432.7721 300.9044 -434.3394 -403.1671 761421.4139 12.3561 12.5096 PRESSURE: 1924200 -26.8319 209.388 -128.172 209.387 -174.358 105.209 -128.171 105.208 -2.00701 GPRESSURE: 1924200 49.1094 188.44 -177.509 189.849 -128.274 140.957 -55.8852 82.078 -50.538 PRESSAVG: 1924200 57.9636 -2.86996 0.103829 -2.86995 -36.2429 -54.6663 0.103825 -54.6664 6.22012 GPRESSAVG: 1924200 58.541 -4.1138 1.17703 -2.27916 -37.1336 -56.5587 -1.02674 -53.3756 6.53829 TIMING: 1924200 CPU: 6068.95, 0.00313058/step Wall: 6068.95, 0.00313058/step, 2.67473 hours remaining, 238.613281 MB of memory in use. ENERGY: 1924200 4021.6972 20588.0331 14436.1024 254.9176 -203365.2109 2901.1270 0.0000 0.0000 52367.0900 -108796.2437 300.9544 -161163.3336 -108431.4822 300.8297 -67.7323 -43.2342 761737.9629 9.3136 9.3152 LDB: ============= START OF LOAD BALANCING ============== 6081.34 LDB: ============== END OF LOAD BALANCING =============== 6081.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6081.34 LDB: ============= START OF LOAD BALANCING ============== 6081.66 LDB: Largest compute 7078 load 0.032090 is 16.4% of average load 0.195920 LDB: Average compute 0.004396 is 2.2% of average load 0.195920 LDB: TIME 6081.66 LOAD: AVG 0.19592 MAX 0.223241 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 6081.66 LOAD: AVG 0.19592 MAX 0.223241 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 6081.66 LOAD: AVG 0.19592 MAX 0.223241 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 6081.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6081.67 PRESSURE: 1924400 -17.2331 -250.82 -92.9833 -250.82 58.1478 -142.521 -92.9831 -142.521 -64.3514 GPRESSURE: 1924400 -14.8377 -199.113 -58.2916 -134.447 148.046 -116.065 15.3098 -219.357 -69.6991 PRESSAVG: 1924400 14.4394 25.6628 0.754329 25.6629 -14.8908 -56.9869 0.754354 -56.9869 20.2627 GPRESSAVG: 1924400 15.0677 26.6999 -0.132479 25.3409 -14.9238 -55.7516 0.99547 -59.3742 19.3438 TIMING: 1924400 CPU: 6069.59, 0.00318744/step Wall: 6069.59, 0.00318744/step, 2.72314 hours remaining, 238.207031 MB of memory in use. ENERGY: 1924400 4012.3551 20628.0975 14390.9750 234.5437 -203209.6592 2802.8029 0.0000 0.0000 52326.1833 -108814.7017 300.7193 -161140.8850 -108453.7962 300.5222 -7.8122 21.1697 761746.9558 6.6038 6.4959 PRESSURE: 1924600 -213.938 -69.6715 -10.1712 -69.6724 -57.06 -145.325 -10.171 -145.324 -18.8252 GPRESSURE: 1924600 -142.401 -40.9619 3.69359 1.19094 -47.3833 -153.975 21.7199 -87.6542 -23.4498 PRESSAVG: 1924600 -5.80778 -53.2994 22.3989 -53.2994 36.9498 1.1616 22.3989 1.16167 26.5726 GPRESSAVG: 1924600 -5.8148 -54.0641 21.5854 -52.6203 36.9609 0.910953 23.9 1.8663 26.587 TIMING: 1924600 CPU: 6070.21, 0.0031305/step Wall: 6070.21, 0.0031305/step, 2.67431 hours remaining, 238.410156 MB of memory in use. ENERGY: 1924600 4053.3234 20472.9591 14479.7794 235.5978 -202718.6219 2487.4445 0.0000 0.0000 52339.8203 -108649.6976 300.7977 -160989.5178 -108288.8598 300.5352 -96.6078 -71.0782 762433.1021 19.2382 19.2444 PRESSURE: 1924800 -0.73893 9.83188 -128.482 9.83392 49.5496 164.429 -128.481 164.429 154.094 GPRESSURE: 1924800 39.2354 -129.138 -64.5402 -40.0155 152.933 124.014 -101.585 281.313 94.8716 PRESSAVG: 1924800 38.9654 -29.0864 -44.7577 -29.0864 14.4551 60.7655 -44.7577 60.7654 5.4694 GPRESSAVG: 1924800 37.0284 -28.4941 -41.5142 -30.1322 15.0221 59.1511 -45.427 62.9514 5.76405 TIMING: 1924800 CPU: 6070.84, 0.00313072/step Wall: 6070.84, 0.00313073/step, 2.67433 hours remaining, 238.410156 MB of memory in use. ENERGY: 1924800 3970.6322 20725.9923 14415.5902 248.8210 -202895.9046 2510.7116 0.0000 0.0000 52187.5987 -108836.5585 299.9228 -161024.1572 -108473.8753 300.9211 67.6348 95.6799 762094.5092 19.6300 19.2715 PRESSURE: 1925000 -198.285 -147.414 104.278 -147.414 -479.479 -3.00963 104.277 -3.0106 -176.562 GPRESSURE: 1925000 -117.144 -58.0003 82.8977 -212.445 -455.194 29.7176 23.5282 80.7794 -182.204 PRESSAVG: 1925000 43.6545 -52.5628 16.8733 -52.5628 -8.63257 58.2434 16.8733 58.2433 -4.72338 GPRESSAVG: 1925000 45.5253 -50.5551 14.738 -51.7947 -9.6941 59.2176 18.2773 57.3891 -5.13355 TIMING: 1925000 CPU: 6071.46, 0.00312229/step Wall: 6071.46, 0.00312229/step, 2.66695 hours remaining, 238.410156 MB of memory in use. ENERGY: 1925000 4006.6464 20553.2536 14386.0483 243.9147 -203015.1879 2427.3541 0.0000 0.0000 52383.4993 -109014.4717 301.0487 -161397.9709 -108648.6328 300.3620 -284.7753 -251.5141 760874.3421 10.0995 10.2325 PRESSURE: 1925200 17.4337 -105.916 127.353 -105.916 -140.077 -72.3569 127.353 -72.3569 -101.112 GPRESSURE: 1925200 112.669 -141.211 185.877 3.92932 -136.472 -92.6883 124.052 -17.7895 -96.1739 PRESSAVG: 1925200 3.74875 -34.3796 19.3769 -34.3797 -50.8617 10.6992 19.3769 10.6992 -10.2766 GPRESSAVG: 1925200 3.68387 -36.5591 19.615 -32.5867 -51.1546 11.2252 15.9484 9.81547 -9.95849 TIMING: 1925200 CPU: 6072.09, 0.00313175/step Wall: 6072.09, 0.00313175/step, 2.67487 hours remaining, 238.410156 MB of memory in use. ENERGY: 1925200 3953.6004 20617.2986 14447.9998 250.0352 -202921.3025 2327.5754 0.0000 0.0000 52339.3809 -108985.4121 300.7951 -161324.7930 -108629.8970 300.1281 -74.5851 -39.9924 762039.1092 -19.1298 -19.1431 PRESSURE: 1925400 250.201 -191.15 -25.8946 -191.151 225.166 330.499 -25.895 330.498 -118.004 GPRESSURE: 1925400 233.587 -236.727 74.6242 -55.4665 279.036 380.024 -130.889 146.614 -63.0123 PRESSAVG: 1925400 72.7537 -3.28137 41.9005 -3.28139 -38.3043 78.0377 41.9004 78.0377 -27.2791 GPRESSAVG: 1925400 71.442 -4.32833 42.1427 -5.28573 -37.2926 78.229 43.5397 78.4892 -26.9664 TIMING: 1925400 CPU: 6072.71, 0.00312038/step Wall: 6072.71, 0.00312038/step, 2.66498 hours remaining, 238.410156 MB of memory in use. ENERGY: 1925400 3982.2142 20580.6892 14434.7113 257.3199 -202989.7884 2507.7033 0.0000 0.0000 52112.8698 -109114.2806 299.4934 -161227.1504 -108751.8036 300.3147 119.1209 149.8701 759652.1436 2.3901 2.3943 PRESSURE: 1925600 268.157 -44.582 51.8674 -44.5823 -110.646 -155.661 51.8678 -155.661 106.88 GPRESSURE: 1925600 316.729 -132.128 -0.345153 -37.6677 -97.3764 -52.8983 117.445 -104.649 115.919 PRESSAVG: 1925600 65.0387 -6.83242 51.9218 -6.83248 -53.692 -10.5981 51.9218 -10.5981 13.7677 GPRESSAVG: 1925600 66.1475 -5.99111 52.5479 -4.75579 -54.6217 -12.5391 50.9223 -8.68732 13.3129 TIMING: 1925600 CPU: 6073.34, 0.00313014/step Wall: 6073.34, 0.00313014/step, 2.67314 hours remaining, 238.410156 MB of memory in use. ENERGY: 1925600 4012.0495 20599.8416 14532.0628 225.0626 -202932.9875 2347.5618 0.0000 0.0000 52034.8151 -109181.5940 299.0448 -161216.4091 -108811.1751 299.8224 88.1305 111.7571 759879.1543 8.3714 8.2796 PRESSURE: 1925800 -28.9331 -173.161 64.7537 -173.162 -157.798 39.9518 64.7535 39.9514 -574.059 GPRESSURE: 1925800 -47.0537 -246.68 67.0008 -157.232 -109.001 -10.2717 98.5254 72.3476 -520.054 PRESSAVG: 1925800 82.8803 -21.6419 5.35934 -21.6419 -65.8404 -27.3757 5.3593 -27.3757 -5.43387 GPRESSAVG: 1925800 83.3543 -22.0311 5.08155 -22.605 -66.498 -24.6501 6.57324 -28.4818 -4.82764 TIMING: 1925800 CPU: 6073.97, 0.00313891/step Wall: 6073.97, 0.00313891/step, 2.68045 hours remaining, 238.410156 MB of memory in use. ENERGY: 1925800 3941.1106 20312.6934 14441.1474 267.7081 -203181.5739 2695.4915 0.0000 0.0000 52121.4957 -109401.9273 299.5430 -161523.4229 -109028.6217 299.4018 -253.5965 -225.3696 761195.3177 3.8687 4.0096 PRESSURE: 1926000 141.906 -188.428 73.3054 -188.428 120.386 49.3859 73.3053 49.3849 -106.475 GPRESSURE: 1926000 180.125 -174.701 -23.839 -106.618 168.552 20.3225 128.982 91.0633 -117.655 PRESSAVG: 1926000 30.2249 -28.6684 39.975 -28.6684 -58.6154 -25.3858 39.9749 -25.3858 11.9758 GPRESSAVG: 1926000 29.9622 -28.2482 39.6748 -29.0683 -57.1267 -26.1532 39.1187 -25.1896 11.1858 TIMING: 1926000 CPU: 6074.59, 0.00312813/step Wall: 6074.59, 0.00312813/step, 2.67108 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1926000 3894.9757 20436.4993 14467.5821 248.4553 -203235.5573 2550.8690 0.0000 0.0000 52266.8607 -109370.3151 300.3784 -161637.1758 -109002.6467 299.5247 51.9389 77.0074 762617.2262 -5.4715 -5.3262 PRESSURE: 1926200 -221.018 -250.386 -265.669 -250.387 -161.269 -154.023 -265.668 -154.022 -79.4707 GPRESSURE: 1926200 -223.677 -109.208 -278.681 -240.954 -99.9314 -38.0805 -157.935 -135.634 -40.7454 PRESSAVG: 1926200 24.1178 -28.2184 -14.7439 -28.2184 -16.5879 -10.5323 -14.7438 -10.5324 -9.19586 GPRESSAVG: 1926200 24.0336 -27.4093 -13.3505 -28.4977 -16.5347 -10.216 -13.0715 -10.75 -9.31566 TIMING: 1926200 CPU: 6075.22, 0.0031344/step Wall: 6075.22, 0.0031344/step, 2.67625 hours remaining, 238.410156 MB of memory in use. ENERGY: 1926200 4014.5475 20354.9526 14440.4884 227.4954 -203151.7279 2466.0006 0.0000 0.0000 52328.9436 -109319.2997 300.7352 -161648.2434 -108944.8029 299.7569 -153.9194 -121.4514 761051.8285 -0.5553 -0.6056 PRESSURE: 1926400 311.807 39.4707 359.622 39.4713 5.07287 -56.443 359.622 -56.443 -12.1844 GPRESSURE: 1926400 291.224 -36.9849 448.882 9.73455 67.1489 -89.729 201.231 -93.5293 40.469 PRESSAVG: 1926400 82.8432 -3.05175 -14.9757 -3.05165 -71.9409 38.0733 -14.9757 38.0733 0.170912 GPRESSAVG: 1926400 83.5805 -3.73663 -14.666 -3.70949 -71.3174 35.8005 -17.9811 36.4663 -0.594648 TIMING: 1926400 CPU: 6075.85, 0.00313381/step Wall: 6075.85, 0.00313381/step, 2.67558 hours remaining, 238.410156 MB of memory in use. ENERGY: 1926400 3994.6806 20533.5219 14458.9953 253.8273 -203197.9211 2313.0928 0.0000 0.0000 52028.4311 -109615.3721 299.0081 -161643.8031 -109255.0187 299.7093 101.5651 132.9473 759633.8459 3.6910 3.8895 PRESSURE: 1926600 45.1688 -16.1871 -164.098 -16.1861 -243.926 -198.066 -164.099 -198.065 -142.039 GPRESSURE: 1926600 68.9012 79.7134 -113.829 -131.487 -169.821 -203.592 -64.8766 -123.098 -159.867 PRESSAVG: 1926600 92.4784 -13.6167 5.37563 -13.6166 -82.2326 3.3464 5.37563 3.34645 12.3024 GPRESSAVG: 1926600 91.3845 -13.3571 3.6951 -14.7909 -82.6585 2.92483 8.82784 3.71765 13.4212 TIMING: 1926600 CPU: 6076.47, 0.00313247/step Wall: 6076.47, 0.00313247/step, 2.67426 hours remaining, 238.410156 MB of memory in use. ENERGY: 1926600 3954.9972 20448.0435 14379.7582 241.3747 -203226.7648 2245.8435 0.0000 0.0000 52102.4084 -109854.3393 299.4333 -161956.7477 -109492.2473 298.8460 -113.5988 -86.9290 759535.1329 7.5161 7.3824 PRESSURE: 1926800 164.686 172.223 302.313 172.222 228.165 -133.237 302.313 -133.237 142.288 GPRESSURE: 1926800 155.364 87.9117 229.553 101.186 259.297 -167.462 205.49 -99.6051 186.115 PRESSAVG: 1926800 26.6683 -37.6266 21.6665 -37.6265 9.69296 -12.9212 21.6665 -12.9212 -7.19792 GPRESSAVG: 1926800 27.9083 -38.0177 20.6502 -36.5711 8.35901 -12.6896 21.2553 -12.2744 -7.03832 TIMING: 1926800 CPU: 6077.1, 0.00313606/step Wall: 6077.1, 0.00313606/step, 2.67715 hours remaining, 238.410156 MB of memory in use. ENERGY: 1926800 3967.4892 20454.5897 14418.9883 246.1898 -203781.4303 2692.1652 0.0000 0.0000 52090.1015 -109911.9066 299.3625 -162002.0082 -109549.5707 298.4620 178.3795 200.2585 757751.4662 9.7211 9.7430 PRESSURE: 1927000 278.421 113.188 63.9025 113.188 -93.6582 -250.713 63.9031 -250.713 -5.67429 GPRESSURE: 1927000 251.075 98.0343 19.1496 59.4641 -33.4724 -154.27 -9.15161 -188.781 61.9033 PRESSAVG: 1927000 9.15693 22.3512 -23.7912 22.3513 -31.6084 -30.5142 -23.7913 -30.5141 -12.5986 GPRESSAVG: 1927000 9.24219 23.2633 -24.2762 22.5662 -30.5489 -29.2709 -23.4716 -32.3848 -13.3017 TIMING: 1927000 CPU: 6077.73, 0.00314124/step Wall: 6077.73, 0.00314124/step, 2.68139 hours remaining, 238.410156 MB of memory in use. ENERGY: 1927000 3982.5311 20529.8202 14368.0404 224.4827 -203458.6294 2501.0128 0.0000 0.0000 51841.3743 -110011.3679 297.9331 -161852.7422 -109662.7115 298.0968 59.6961 93.1686 760741.7441 -11.6834 -11.5362 PRESSURE: 1927200 -509.972 -237.806 112.791 -237.807 107.893 117.383 112.792 117.383 -236.331 GPRESSURE: 1927200 -314.872 -339.962 13.4082 -310.625 51.5096 42.6889 84.4356 172.03 -254.862 PRESSAVG: 1927200 47.619 5.59363 22.6913 5.59358 -46.4264 -48.6223 22.6913 -48.6224 -4.38954 GPRESSAVG: 1927200 49.0716 4.21437 23.5022 7.45037 -47.6949 -48.5313 23.7489 -48.1921 -4.27563 TIMING: 1927200 CPU: 6078.36, 0.00313841/step Wall: 6078.36, 0.0031384/step, 2.6788 hours remaining, 238.410156 MB of memory in use. ENERGY: 1927200 3969.3493 20455.9733 14446.5477 244.6291 -203484.8262 2367.2990 0.0000 0.0000 51985.9235 -110015.1042 298.7638 -162001.0278 -109640.0556 298.1802 -212.8035 -172.7413 761462.0784 -1.0656 -0.9663 PRESSURE: 1927400 258.953 -20.6335 -282.794 -20.6336 81.4437 -135.575 -282.793 -135.574 114.466 GPRESSURE: 1927400 291.404 -14.6145 -324.65 -74.7031 108.997 -147.582 -232.94 -63.5619 128.817 PRESSAVG: 1927400 20.1289 -27.1639 -43.0376 -27.1639 -33.8418 -41.4016 -43.0376 -41.4016 -6.1934 GPRESSAVG: 1927400 19.7384 -26.4706 -42.3038 -28.7291 -33.2714 -41.0264 -44.8748 -41.3834 -5.88699 TIMING: 1927400 CPU: 6078.98, 0.00313357/step Wall: 6078.98, 0.00313357/step, 2.6745 hours remaining, 238.410156 MB of memory in use. ENERGY: 1927400 3957.3474 20443.7672 14505.5042 236.3126 -203938.4038 2713.8581 0.0000 0.0000 52049.4089 -110032.2054 299.1287 -162081.6143 -109665.2818 298.0025 151.6210 176.4058 759510.7200 -6.6354 -6.4733 PRESSURE: 1927600 -196.23 86.6148 195.873 86.614 -121.66 124.777 195.872 124.776 46.4821 GPRESSURE: 1927600 -68.9985 37.139 280.283 50.6959 -89.6607 108.475 158.098 179.419 -19.2992 PRESSAVG: 1927600 9.05624 -11.4057 16.6634 -11.4057 -43.8336 -32.1946 16.6634 -32.1946 -38.3683 GPRESSAVG: 1927600 8.4806 -11.6489 18.0114 -12.6573 -42.5802 -32.1976 15.6513 -31.2649 -38.1623 TIMING: 1927600 CPU: 6079.61, 0.00313543/step Wall: 6079.61, 0.00313544/step, 2.67592 hours remaining, 238.410156 MB of memory in use. ENERGY: 1927600 3942.4184 20504.3166 14436.3793 241.8452 -203589.4083 2476.0692 0.0000 0.0000 52064.9976 -109923.3819 299.2183 -161988.3795 -109567.6508 298.1397 -90.4693 -59.3195 759393.5821 -24.3819 -24.0873 PRESSURE: 1927800 -245.097 198.076 233.224 198.076 37.258 -87.3202 233.224 -87.3204 -427.913 GPRESSURE: 1927800 -95.596 136.5 178.587 210.182 -10.7165 -104.765 82.1492 -4.36581 -427.787 PRESSAVG: 1927800 29.3833 7.84295 -21.1377 7.84294 -16.7208 19.1645 -21.1377 19.1645 7.37562 GPRESSAVG: 1927800 30.168 7.93998 -22.8508 8.28738 -17.4262 18.4476 -16.7605 19.6428 7.29741 TIMING: 1927800 CPU: 6080.23, 0.00312545/step Wall: 6080.23, 0.00312545/step, 2.66722 hours remaining, 238.410156 MB of memory in use. ENERGY: 1927800 3993.3717 20533.9622 14478.9677 249.3872 -202922.4433 2215.7874 0.0000 0.0000 51711.4137 -109739.5534 297.1862 -161450.9671 -109383.5173 298.7241 -211.9173 -178.0331 760297.3314 6.6794 6.6797 PRESSURE: 1928000 -86.7638 112.605 39.6796 112.606 52.7817 -283.03 39.68 -283.03 -68.5095 GPRESSURE: 1928000 -32.8591 59.5486 119.492 43.4644 23.0718 -326.409 36.5485 -154.456 -1.11122 PRESSAVG: 1928000 17.4963 22.4053 -32.0663 22.4053 -2.97441 2.39611 -32.0663 2.39614 -7.64637 GPRESSAVG: 1928000 18.263 22.9529 -31.3118 22.4977 -3.96978 1.85012 -36.265 3.37361 -7.50915 TIMING: 1928000 CPU: 6080.86, 0.00313034/step Wall: 6080.86, 0.00313034/step, 2.67123 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1928000 3918.5653 20512.3771 14404.8432 265.8409 -203360.3544 2495.6208 0.0000 0.0000 51959.2130 -109803.8940 298.6103 -161763.1070 -109439.7678 298.1723 -34.1639 -3.6329 760296.9942 2.2918 2.2613 PRESSURE: 1928200 -205.781 16.2601 59.3987 16.2602 183.589 123.177 59.3989 123.177 -171.347 GPRESSURE: 1928200 -176.364 -61.1819 65.0092 60.7222 188.189 76.8083 -95.3178 107.638 -138.96 PRESSAVG: 1928200 -28.0624 42.9418 -20.6974 42.9418 -26.8364 -27.4009 -20.6975 -27.4008 -7.38494 GPRESSAVG: 1928200 -28.6773 42.0183 -20.3778 42.551 -25.7407 -27.4693 -21.1788 -29.1013 -7.54663 TIMING: 1928200 CPU: 6081.49, 0.00314068/step Wall: 6081.49, 0.00314068/step, 2.67987 hours remaining, 238.410156 MB of memory in use. ENERGY: 1928200 4013.3007 20626.4879 14478.7319 227.6668 -203283.5508 2430.1105 0.0000 0.0000 51748.2276 -109759.0254 297.3978 -161507.2531 -109398.6745 298.1318 -64.5130 -42.3785 761297.5130 -20.7612 -20.6549 LDB: ============= START OF LOAD BALANCING ============== 6093.88 LDB: ============== END OF LOAD BALANCING =============== 6093.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6093.89 LDB: ============= START OF LOAD BALANCING ============== 6094.2 LDB: Largest compute 7078 load 0.034117 is 17.4% of average load 0.196068 LDB: Average compute 0.004383 is 2.2% of average load 0.196068 LDB: TIME 6094.2 LOAD: AVG 0.196068 MAX 0.216885 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.262 MB LDB: TIME 6094.2 LOAD: AVG 0.196068 MAX 0.216885 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.465 MB LDB: TIME 6094.2 LOAD: AVG 0.196068 MAX 0.216885 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.465 MB LDB: ============== END OF LOAD BALANCING =============== 6094.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6094.21 PRESSURE: 1928400 82.6197 -213.932 -52.1143 -213.932 146.025 43.4313 -52.1142 43.4308 278.389 GPRESSURE: 1928400 119.539 -255.889 -41.7402 -163.864 125.666 -35.528 -4.90484 101.442 347.316 PRESSAVG: 1928400 3.54382 -26.2641 -0.240946 -26.2641 -43.8988 13.0237 -0.240888 13.0238 8.06099 GPRESSAVG: 1928400 3.01576 -24.8794 -1.13495 -25.9863 -43.1845 12.4798 1.14949 13.8908 7.64974 TIMING: 1928400 CPU: 6082.13, 0.00320409/step Wall: 6082.13, 0.00320409/step, 2.7338 hours remaining, 238.921875 MB of memory in use. ENERGY: 1928400 4011.7363 20500.3363 14454.6072 251.1866 -203727.2747 2874.9567 0.0000 0.0000 51978.2331 -109656.2186 298.7196 -161634.4517 -109293.8312 299.0484 169.0112 197.5069 758993.1619 -10.7647 -10.8397 PRESSURE: 1928600 -346.606 71.0486 -70.2416 71.0479 -217.201 503.595 -70.2419 503.595 -116.185 GPRESSURE: 1928600 -238.006 5.53208 -108.791 66.5871 -264.982 481.025 -79.0834 470.448 -92.0717 PRESSAVG: 1928600 -26.3067 -36.2707 -65.9582 -36.2707 21.7176 32.1399 -65.9582 32.1399 -11.6505 GPRESSAVG: 1928600 -25.05 -35.7931 -66.0932 -35.5386 19.8801 33.3723 -66.3366 29.8627 -10.5229 TIMING: 1928600 CPU: 6082.76, 0.00313766/step Wall: 6082.76, 0.00313766/step, 2.67694 hours remaining, 239.125000 MB of memory in use. ENERGY: 1928600 4066.6550 20595.2409 14456.7632 253.5675 -203523.0426 2270.3025 0.0000 0.0000 52224.1229 -109656.3907 300.1328 -161880.5136 -109290.7257 298.7711 -226.6637 -198.3533 762050.5557 -5.4132 -5.2309 PRESSURE: 1928800 -36.1739 208.458 103.264 208.458 78.9255 130.968 103.265 130.968 461.392 GPRESSURE: 1928800 67.5073 140.075 111.866 193.568 107.397 60.7265 109.001 86.9922 437.035 PRESSAVG: 1928800 -37.0044 -0.0100489 -59.0588 -0.0100901 34.4004 -6.65389 -59.0588 -6.65386 12.0462 GPRESSAVG: 1928800 -37.7401 -0.386759 -58.2032 -1.24094 36.0519 -6.20032 -58.6303 -4.84353 11.2627 TIMING: 1928800 CPU: 6083.38, 0.00313057/step Wall: 6083.38, 0.00313057/step, 2.67072 hours remaining, 239.125000 MB of memory in use. ENERGY: 1928800 4001.8632 20648.9013 14458.5343 259.7114 -203888.3315 2822.2523 0.0000 0.0000 51904.2442 -109792.8249 298.2944 -161697.0690 -109441.7697 299.4300 168.0479 203.9796 760558.8062 3.1474 3.1915 PRESSURE: 1929000 286.006 -165.155 -423.156 -165.155 7.61138 -96.1779 -423.156 -96.1781 -106.563 GPRESSURE: 1929000 330.765 -135.956 -470.279 -47.4229 21.8596 -59.842 -307.682 -58.0285 -81.491 PRESSAVG: 1929000 -1.13926 -13.5618 -46.2495 -13.5618 -24.3879 27.5822 -46.2495 27.5822 -12.9295 GPRESSAVG: 1929000 -1.37382 -14.5563 -46.6409 -12.8258 -25.0877 27.1035 -46.0066 28.6471 -12.8548 TIMING: 1929000 CPU: 6084.01, 0.00312386/step Wall: 6084.01, 0.00312386/step, 2.66483 hours remaining, 239.125000 MB of memory in use. ENERGY: 1929000 3957.1760 20557.5515 14462.8297 246.5421 -203881.3288 2761.5265 0.0000 0.0000 51923.7504 -109971.9527 298.4065 -161895.7031 -109608.2946 298.5570 62.3516 90.3777 760435.1317 -12.8189 -13.1055 PRESSURE: 1929200 124.735 -56.4703 -126.061 -56.4713 276.278 -137.401 -126.062 -137.4 464.1 GPRESSURE: 1929200 105.317 10.9645 -146.852 -127.965 372.109 -268.843 -73.0107 -20.8857 457.735 PRESSAVG: 1929200 -19.3826 -41.3484 -69.2856 -41.3484 7.30478 5.83045 -69.2856 5.83046 2.76389 GPRESSAVG: 1929200 -19.562 -40.5032 -68.3702 -41.0749 8.75072 7.88013 -72.2516 5.49882 1.88063 TIMING: 1929200 CPU: 6084.63, 0.00311969/step Wall: 6084.63, 0.00311969/step, 2.66109 hours remaining, 239.125000 MB of memory in use. ENERGY: 1929200 3914.7382 20629.3421 14497.5013 241.9348 -203644.6766 2597.5295 0.0000 0.0000 51930.6005 -109833.0302 298.4459 -161763.6307 -109473.2168 298.9141 288.3709 311.7202 760658.0821 -3.1047 -2.9769 PRESSURE: 1929400 -119.347 7.1065 -148.192 7.10556 86.9575 142.512 -148.192 142.513 58.1692 GPRESSURE: 1929400 -25.406 23.2173 -201.235 -9.18161 86.5293 151.443 -122.207 49.1123 68.7039 PRESSAVG: 1929400 -72.02 -34.0928 -33.6079 -34.0928 59.5041 -65.6173 -33.6079 -65.6172 -5.3104 GPRESSAVG: 1929400 -71.4543 -33.7289 -33.8605 -32.8447 57.7955 -65.0854 -27.9566 -66.7497 -4.33287 TIMING: 1929400 CPU: 6085.25, 0.00310475/step Wall: 6085.25, 0.00310475/step, 2.64818 hours remaining, 239.125000 MB of memory in use. ENERGY: 1929400 4006.0748 20769.8952 14491.8352 243.4137 -203491.5682 2461.3449 0.0000 0.0000 51910.8900 -109608.1144 298.3326 -161519.0044 -109256.7930 299.1595 8.5932 43.2757 758860.8832 -5.9421 -5.9972 PRESSURE: 1929600 139.493 186.696 49.973 186.696 -89.4851 111.571 49.9726 111.569 127.335 GPRESSURE: 1929600 162.897 163.337 38.5184 146.175 -74.2702 231.451 83.108 182.976 174.14 PRESSAVG: 1929600 1.27677 -25.5093 -2.37318 -25.5093 1.86158 -6.98681 -2.37316 -6.98688 24.7437 GPRESSAVG: 1929600 3.17435 -27.297 -2.65841 -23.2274 2.24893 -9.18834 -5.12238 -7.57302 23.4345 TIMING: 1929600 CPU: 6085.88, 0.00313306/step Wall: 6085.88, 0.00313306/step, 2.67215 hours remaining, 239.125000 MB of memory in use. ENERGY: 1929600 4048.8166 20634.0177 14484.4356 254.1757 -203550.2108 2495.0029 0.0000 0.0000 52094.5664 -109539.1959 299.3882 -161633.7623 -109160.4260 299.7631 59.1144 87.5890 758885.9844 9.2940 9.6192 PRESSURE: 1929800 213.948 1.02569 271.23 1.02604 242.524 91.0852 271.23 91.0852 -12.8041 GPRESSURE: 1929800 261.998 41.3461 298.265 -28.808 349.531 73.3973 268.185 -4.10519 -97.3963 PRESSAVG: 1929800 -2.82555 -3.27691 20.0195 -3.27696 -19.4244 11.5869 20.0195 11.587 -10.5876 GPRESSAVG: 1929800 -4.7879 -2.22383 18.6606 -4.86608 -18.3865 12.9424 19.8158 11.8026 -10.2266 TIMING: 1929800 CPU: 6086.51, 0.00315077/step Wall: 6086.51, 0.00315077/step, 2.68708 hours remaining, 239.125000 MB of memory in use. ENERGY: 1929800 3984.0260 20445.1807 14451.8570 271.3923 -203909.0777 2682.2996 0.0000 0.0000 52282.1540 -109792.1681 300.4663 -162074.3221 -109417.8361 299.6956 147.8894 171.3776 756722.3995 -10.9459 -11.1337 PRESSURE: 1930000 -205.194 -106.415 87.239 -106.415 64.3079 -141.498 87.239 -141.498 -399.884 GPRESSURE: 1930000 -146.485 -130.244 10.7133 -104.578 60.9156 -100.224 0.147508 -74.7067 -350.554 PRESSAVG: 1930000 -47.1997 -8.12873 38.5792 -8.12872 17.4294 40.2352 38.5792 40.2352 -0.62854 GPRESSAVG: 1930000 -47.3995 -8.88186 37.8336 -8.42541 16.8188 40.6861 40.3599 39.6741 0.399572 TIMING: 1930000 CPU: 6087.14, 0.00313213/step Wall: 6087.14, 0.00313213/step, 2.67102 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1930000 4037.0342 20602.9476 14426.8840 239.5776 -203461.2818 2514.1755 0.0000 0.0000 52005.5549 -109635.1080 298.8766 -161640.6629 -109272.2903 299.1830 -180.2566 -145.3743 760087.9179 -10.1330 -10.0604 PRESSURE: 1930200 72.4798 9.49376 273.448 9.49339 -84.618 -177.973 273.448 -177.973 242.425 GPRESSURE: 1930200 78.7367 30.6023 255.527 18.707 -9.71365 -168.346 182.161 -217.439 262.526 PRESSAVG: 1930200 -13.7635 -31.848 16.7099 -31.848 13.3071 20.1557 16.7099 20.1558 -2.37042 GPRESSAVG: 1930200 -12.8915 -33.3873 17.5683 -32.036 12.5385 18.4339 11.5229 22.9599 -1.84658 TIMING: 1930200 CPU: 6087.76, 0.00314138/step Wall: 6087.76, 0.00314138/step, 2.67872 hours remaining, 239.125000 MB of memory in use. ENERGY: 1930200 4060.1510 20683.0486 14430.4361 236.9123 -203526.5438 2623.0297 0.0000 0.0000 52094.3473 -109398.6188 299.3869 -161492.9661 -109040.4622 298.9489 76.7621 110.5163 758941.1953 -0.9423 -0.7332 PRESSURE: 1930400 -81.3121 -72.6446 -277.286 -72.6453 17.2663 114.617 -277.286 114.617 -420.488 GPRESSURE: 1930400 -145.367 -39.1175 -207.846 9.54075 79.54 35.9406 -303.319 187.372 -326.18 PRESSAVG: 1930400 9.85647 -23.4521 -31.9007 -23.452 12.6364 -12.6629 -31.9007 -12.6629 -0.875588 GPRESSAVG: 1930400 9.85538 -21.1719 -30.9836 -24.4903 12.1978 -12.5024 -29.3686 -13.9778 -0.514612 TIMING: 1930400 CPU: 6088.4, 0.00316382/step Wall: 6088.4, 0.00316382/step, 2.69768 hours remaining, 239.125000 MB of memory in use. ENERGY: 1930400 4045.2413 20562.2320 14545.3444 274.9174 -203417.0201 2522.5349 0.0000 0.0000 52116.4720 -109350.2782 299.5141 -161466.7502 -108983.7388 299.2972 -161.5111 -130.6692 759485.4452 7.2058 7.1795 PRESSURE: 1930600 -18.5084 223.662 112.408 223.662 -534.307 -67.5584 112.408 -67.5582 -194.74 GPRESSURE: 1930600 -54.1895 166.012 91.4329 117.592 -455.363 -87.9431 191.557 98.3909 -148.558 PRESSAVG: 1930600 50.7948 17.2707 15.2887 17.2706 -46.7068 59.6524 15.2887 59.6524 -13.2387 GPRESSAVG: 1930600 51.0222 16.458 13.9033 17.5747 -46.5523 60.6599 18.3091 61.3623 -13.5946 TIMING: 1930600 CPU: 6089.03, 0.00316704/step Wall: 6089.03, 0.00316704/step, 2.70026 hours remaining, 239.125000 MB of memory in use. ENERGY: 1930600 3999.9894 20787.8870 14529.8073 237.9765 -203012.2094 2070.6125 0.0000 0.0000 52079.2042 -109306.7325 299.2999 -161385.9367 -108955.0178 299.7135 -249.1850 -219.3704 761054.2206 -3.0502 -3.0416 PRESSURE: 1930800 10.5162 -66.5343 69.4136 -66.5345 -28.0806 -109.835 69.4131 -109.836 -556.272 GPRESSURE: 1930800 -0.900345 28.814 92.6729 -154.07 -36.1801 19.2791 -30.4451 -186.001 -457.82 PRESSAVG: 1930800 -18.1259 -11.9729 -35.5074 -11.9728 10.6711 59.2259 -35.5074 59.226 10.9802 GPRESSAVG: 1930800 -16.7147 -11.066 -33.5353 -13.6163 10.1493 58.617 -36.5917 56.009 10.597 TIMING: 1930800 CPU: 6089.65, 0.00312497/step Wall: 6089.65, 0.00312497/step, 2.66421 hours remaining, 239.125000 MB of memory in use. ENERGY: 1930800 4017.2834 20702.0676 14509.5287 231.5395 -203188.3875 2357.2884 0.0000 0.0000 51863.2598 -109507.4201 298.0589 -161370.6799 -109159.6762 299.7669 -191.2789 -164.9668 760135.7903 1.1751 1.3439 PRESSURE: 1931000 -115.123 280.045 8.85124 280.044 -94.3089 -99.4786 8.85203 -99.4782 -157.236 GPRESSURE: 1931000 -64.8549 258.109 -51.206 286.082 -67.7076 -48.103 69.633 -210.493 -155.659 PRESSAVG: 1931000 -54.4086 -33.856 50.2955 -33.856 47.6799 -26.6882 50.2955 -26.6882 3.18777 GPRESSAVG: 1931000 -54.7062 -33.8112 49.6799 -32.9486 48.8108 -25.2107 50.4074 -25.2049 2.63943 TIMING: 1931000 CPU: 6090.28, 0.0031355/step Wall: 6090.28, 0.0031355/step, 2.67301 hours remaining, 239.125000 MB of memory in use. ENERGY: 1931000 4097.6014 20593.9538 14548.5046 252.1425 -203341.8934 2330.5960 0.0000 0.0000 51975.3256 -109543.7696 298.7029 -161519.0953 -109187.4934 299.0332 -122.2225 -96.0737 758802.3294 -1.1803 -1.0853 PRESSURE: 1931200 164.461 -7.18024 -42.4241 -7.18017 -174.885 49.355 -42.4245 49.3542 190.751 GPRESSURE: 1931200 162.185 -11.2093 -31.1614 -101.598 -130.277 27.1758 53.0873 238.896 228.79 PRESSAVG: 1931200 -17.8811 26.3234 -29.0709 26.3235 16.3687 38.3429 -29.0709 38.3429 0.610328 GPRESSAVG: 1931200 -17.8421 27.6688 -29.7118 26.1066 16.3175 36.9828 -30.4194 38.7534 1.17632 TIMING: 1931200 CPU: 6090.91, 0.00312757/step Wall: 6090.91, 0.00312757/step, 2.66608 hours remaining, 239.125000 MB of memory in use. ENERGY: 1931200 3993.0427 20527.6347 14485.2575 249.5084 -203302.4859 2691.5486 0.0000 0.0000 52004.7001 -109350.7939 298.8717 -161355.4940 -108995.3578 299.7344 60.1091 86.8992 760441.1172 -0.3007 -0.1161 PRESSURE: 1931400 -322.701 83.5499 -308.624 83.5502 -70.0821 128.899 -308.624 128.9 0.644788 GPRESSURE: 1931400 -218.438 153.576 -287.081 49.5322 -105.718 79.4059 -122.667 233.618 20.9667 PRESSAVG: 1931400 -41.6651 7.32973 -45.4177 7.32977 15.3448 4.636 -45.4176 4.63607 -20.1545 GPRESSAVG: 1931400 -41.3875 5.5654 -45.0301 6.86359 14.6464 4.81729 -44.2805 6.35742 -19.7355 TIMING: 1931400 CPU: 6091.54, 0.00314224/step Wall: 6091.54, 0.00314224/step, 2.67841 hours remaining, 239.125000 MB of memory in use. ENERGY: 1931400 3888.0985 20434.6775 14494.1821 257.5680 -202887.2115 2370.0999 0.0000 0.0000 52164.3092 -109278.2763 299.7890 -161442.5855 -108911.8298 299.0935 -130.7129 -101.0631 761787.6493 -15.4916 -15.4922 PRESSURE: 1931600 -101.303 -27.7879 234.867 -27.7877 -151.066 106.553 234.867 106.553 130.794 GPRESSURE: 1931600 40.5747 -136.949 159.93 -147.425 -168.082 67.5336 70.9689 6.73992 104.79 PRESSAVG: 1931600 -28.2758 35.8914 -63.7773 35.8914 44.8054 2.38159 -63.7772 2.38161 15.5114 GPRESSAVG: 1931600 -28.4789 35.7421 -63.568 35.9074 45.1944 2.73692 -63.3385 0.726633 14.8202 TIMING: 1931600 CPU: 6092.16, 0.00312694/step Wall: 6092.16, 0.00312694/step, 2.6652 hours remaining, 239.125000 MB of memory in use. ENERGY: 1931600 3957.8514 20584.2593 14429.4212 243.6881 -203207.2955 2385.3619 0.0000 0.0000 52379.2868 -109227.4268 301.0245 -161606.7135 -108858.6175 299.8827 -40.5250 -7.5724 761720.3816 10.6803 10.5119 PRESSURE: 1931800 89.326 9.45738 -86.6076 9.45786 23.5162 -65.5715 -86.6079 -65.5725 -287.756 GPRESSURE: 1931800 121.698 48.3101 -205.097 -26.7732 49.4735 -130.202 -90.1743 60.3802 -279.317 PRESSAVG: 1931800 -7.27699 -17.3715 49.4823 -17.3715 23.8586 -8.99016 49.4823 -8.99014 -25.1815 GPRESSAVG: 1931800 -5.99798 -16.6031 47.1252 -15.1919 22.0429 -10.7201 48.952 -7.84027 -24.7496 TIMING: 1931800 CPU: 6092.79, 0.00316248/step Wall: 6092.79, 0.00316248/step, 2.69531 hours remaining, 239.125000 MB of memory in use. ENERGY: 1931800 3956.6378 20531.2168 14446.4316 258.2953 -203002.0906 2506.5200 0.0000 0.0000 52089.3234 -109213.6657 299.3581 -161302.9891 -108855.0096 299.7115 -58.3047 -36.0487 761535.1020 -2.8666 -2.9015 PRESSURE: 1932000 206.824 -75.0158 298.444 -75.0159 -39.6516 171.839 298.444 171.839 -173.749 GPRESSURE: 1932000 251.938 12.2493 179.492 10.9582 1.4283 181.908 286.834 103.737 -184.43 PRESSAVG: 1932000 -28.6731 -35.4582 -17.3669 -35.4582 24.5265 15.5626 -17.3668 15.5626 3.13432 GPRESSAVG: 1932000 -29.4108 -35.2731 -16.8528 -37.5539 25.2535 17.4002 -16.9674 14.5594 3.40782 TIMING: 1932000 CPU: 6093.43, 0.00315647/step Wall: 6093.43, 0.00315647/step, 2.69001 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1932000 4000.2616 20550.2434 14455.8322 253.4876 -203071.9875 2562.6723 0.0000 0.0000 52078.3722 -109171.1181 299.2951 -161249.4904 -108811.8269 299.8004 -2.1923 22.9787 761021.7529 -0.3374 -0.2498 PRESSURE: 1932200 -185.152 30.4321 83.1271 30.4327 208.8 -41.4396 83.1274 -41.4392 30.6154 GPRESSURE: 1932200 -113.143 84.2768 138.774 24.9535 198.643 -28.3568 21.6876 -217.321 51.19 PRESSAVG: 1932200 68.7054 -4.3955 2.52501 -4.39551 3.30442 -26.3574 2.52505 -26.3575 34.5499 GPRESSAVG: 1932200 68.1008 -6.01703 4.66686 -3.63997 2.37703 -27.364 2.22385 -27.7815 35.44 TIMING: 1932200 CPU: 6094.06, 0.00316355/step Wall: 6094.06, 0.00316355/step, 2.69587 hours remaining, 239.125000 MB of memory in use. ENERGY: 1932200 3997.4049 20352.8365 14524.5014 255.6806 -202832.2715 2211.5367 0.0000 0.0000 52057.7482 -109432.5632 299.1766 -161490.3114 -109063.4747 299.8489 18.0877 45.5633 761275.1216 35.5199 35.3059 LDB: ============= START OF LOAD BALANCING ============== 6106.45 LDB: ============== END OF LOAD BALANCING =============== 6106.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6106.46 LDB: ============= START OF LOAD BALANCING ============== 6106.77 LDB: Largest compute 7034 load 0.033518 is 17.1% of average load 0.195976 LDB: Average compute 0.004397 is 2.2% of average load 0.195976 LDB: TIME 6106.77 LOAD: AVG 0.195976 MAX 0.222835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 6106.77 LOAD: AVG 0.195976 MAX 0.222835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 6106.78 LOAD: AVG 0.195976 MAX 0.222835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6106.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6106.78 PRESSURE: 1932400 416.09 -131.29 140.749 -131.29 136.945 -100.508 140.749 -100.509 -11.7419 GPRESSURE: 1932400 431.823 -186.108 164.065 -157.521 224.121 -101.265 -21.4507 42.7904 -26.2271 PRESSAVG: 1932400 28.4856 -33.3888 -0.000337513 -33.3889 -34.0584 14.8102 -0.000268452 14.8104 9.26913 GPRESSAVG: 1932400 28.4311 -32.1858 -1.10071 -33.1179 -33.7521 15.0295 1.09082 14.8187 8.69266 TIMING: 1932400 CPU: 6094.7, 0.00321137/step Wall: 6094.7, 0.00321136/step, 2.73644 hours remaining, 239.382812 MB of memory in use. ENERGY: 1932400 3983.8793 20497.5507 14402.0635 246.9536 -203452.2446 2620.0800 0.0000 0.0000 52252.8346 -109448.8828 300.2978 -161701.7174 -109094.6063 299.6911 180.4308 209.9056 760791.8852 1.2321 1.1239 PRESSURE: 1932600 -137.385 115.706 -380.625 115.706 -7.73976 146.54 -380.624 146.54 322.983 GPRESSURE: 1932600 -73.7961 116.565 -357.848 164.248 11.4683 199.024 -218.184 93.3056 343.821 PRESSAVG: 1932600 42.7515 -14.4837 -42.4404 -14.4838 -54.6108 18.4854 -42.4404 18.4855 4.1553 GPRESSAVG: 1932600 42.4157 -14.1736 -41.7294 -16.8882 -55.0281 18.6997 -44.7535 20.0928 4.93874 TIMING: 1932600 CPU: 6095.33, 0.00316081/step Wall: 6095.33, 0.00316081/step, 2.69319 hours remaining, 239.585938 MB of memory in use. ENERGY: 1932600 3974.0170 20455.5059 14420.4742 270.1352 -203116.4838 2620.1917 0.0000 0.0000 52015.0841 -109361.0758 298.9314 -161376.1599 -109004.8615 299.7853 59.2861 93.8311 760337.7884 -2.5680 -2.5579 PRESSURE: 1932800 -71.4829 313.498 -47.1412 313.498 -62.7585 110.913 -47.1416 110.912 70.8149 GPRESSURE: 1932800 -2.43321 311.921 -86.459 250.358 12.9247 52.419 18.0381 36.6202 -0.409975 PRESSAVG: 1932800 17.8048 20.3016 -42.5322 20.3016 -6.85755 -47.4043 -42.5322 -47.4043 2.89851 GPRESSAVG: 1932800 19.8404 18.8247 -42.72 21.1141 -6.61313 -47.0277 -41.2448 -49.4474 1.18862 TIMING: 1932800 CPU: 6095.96, 0.00313083/step Wall: 6095.96, 0.00313083/step, 2.66747 hours remaining, 239.585938 MB of memory in use. ENERGY: 1932800 3976.2600 20727.0669 14458.4557 241.0205 -203307.6266 2669.8606 0.0000 0.0000 51900.2375 -109334.7254 298.2714 -161234.9629 -108973.0389 299.6468 -21.1421 3.3605 760282.4785 4.6153 4.8053 PRESSURE: 1933000 -264.955 5.69505 -150.01 5.69541 -20.759 5.24408 -150.01 5.24574 -252.955 GPRESSURE: 1933000 -252.849 41.8488 -122.763 -34.5377 16.8149 15.7049 -91.0788 -0.531501 -223.477 PRESSAVG: 1933000 12.2822 -27.2726 -28.5905 -27.2726 -28.8172 -54.7957 -28.5904 -54.7957 -5.64093 GPRESSAVG: 1933000 12.324 -26.2883 -29.172 -26.437 -28.4706 -55.3137 -28.391 -54.485 -4.917 TIMING: 1933000 CPU: 6096.59, 0.00313543/step Wall: 6096.59, 0.00313543/step, 2.67121 hours remaining, 239.585938 MB of memory in use. ENERGY: 1933000 3951.3416 20534.6996 14436.5334 273.8841 -203115.4377 2403.5364 0.0000 0.0000 52157.0686 -109358.3741 299.7474 -161515.4426 -108989.5527 299.8021 -179.5565 -153.1702 760778.6827 -7.3920 -7.0212 PRESSURE: 1933200 63.0725 192.441 -36.9037 192.441 -274.539 240.73 -36.9036 240.729 -219.265 GPRESSURE: 1933200 110.001 23.2983 -34.6417 170.864 -164.031 107.689 216.105 286.392 -285.75 PRESSAVG: 1933200 -35.2394 33.1873 -60.2685 33.1873 49.6291 -39.1631 -60.2685 -39.1631 11.1767 GPRESSAVG: 1933200 -35.2575 32.6316 -59.82 32.6365 50.3478 -41.0429 -59.6439 -39.5981 10.6062 TIMING: 1933200 CPU: 6097.21, 0.00312734/step Wall: 6097.21, 0.00312734/step, 2.66414 hours remaining, 239.585938 MB of memory in use. ENERGY: 1933200 4006.1535 20511.5102 14416.5995 229.8811 -203214.0720 2709.1164 0.0000 0.0000 51857.7301 -109483.0811 298.0271 -161340.8112 -109118.4220 298.9135 -143.5773 -113.2599 761867.5051 8.5221 8.5655 PRESSURE: 1933400 101.502 182.148 -98.3123 182.149 -3.51483 116.094 -98.3118 116.095 211.748 GPRESSURE: 1933400 188.362 75.9341 -163.991 103.679 -57.0468 178.748 -130.718 185.902 254.292 PRESSAVG: 1933400 62.7462 -10.9923 -33.8155 -10.9923 -57.6311 47.9329 -33.8155 47.9329 8.90359 GPRESSAVG: 1933400 62.9956 -10.8272 -34.4605 -12.3982 -58.7045 49.9612 -34.788 46.9288 9.43364 TIMING: 1933400 CPU: 6097.84, 0.00313609/step Wall: 6097.84, 0.00313608/step, 2.67142 hours remaining, 239.585938 MB of memory in use. ENERGY: 1933400 3955.5789 20719.8661 14433.8024 248.4205 -203394.1997 2669.4156 0.0000 0.0000 52063.6286 -109303.4876 299.2104 -161367.1162 -108943.5396 299.4551 103.2449 128.5358 760898.4246 4.6729 4.5749 PRESSURE: 1933600 406.413 68.4619 -87.5036 68.4618 234.945 -17.6356 -87.5048 -17.6369 0.623742 GPRESSURE: 1933600 398.984 188.425 -23.259 62.0218 291.979 31.0588 29.8654 -177.809 37.5627 PRESSAVG: 1933600 31.728 29.081 -12.536 29.081 -18.024 7.16392 -12.536 7.16391 -9.83804 GPRESSAVG: 1933600 31.7842 31.2996 -12.2028 29.4414 -17.4159 7.10222 -10.9464 7.84871 -10.347 TIMING: 1933600 CPU: 6098.47, 0.00314749/step Wall: 6098.47, 0.00314749/step, 2.68096 hours remaining, 239.585938 MB of memory in use. ENERGY: 1933600 4013.1424 20479.6135 14401.3382 245.4922 -203478.4950 2750.9602 0.0000 0.0000 52306.5115 -109281.4371 300.6062 -161587.9485 -108914.9654 299.4665 213.9941 242.8420 760010.1340 1.2887 1.3404 PRESSURE: 1933800 -81.5586 -58.4607 -51.084 -58.4604 -327.224 -72.7261 -51.0834 -72.7267 -347.268 GPRESSURE: 1933800 -57.6301 32.491 -101.084 -117.959 -299.785 -134.36 -83.8168 -95.1557 -305.322 PRESSAVG: 1933800 -1.26504 -5.1522 -33.5462 -5.15225 -8.80525 -36.7295 -33.5462 -36.7294 7.1568 GPRESSAVG: 1933800 -1.72574 -6.18387 -34.8079 -4.37474 -8.55592 -36.3791 -34.1777 -34.8131 7.53421 TIMING: 1933800 CPU: 6099.1, 0.00313791/step Wall: 6099.1, 0.00313791/step, 2.67263 hours remaining, 239.585938 MB of memory in use. ENERGY: 1933800 3970.0148 20573.9954 14415.9480 243.1540 -202997.3475 2354.3408 0.0000 0.0000 52244.6010 -109195.2935 300.2504 -161439.8945 -108828.6260 299.9794 -252.0170 -220.9122 760035.5759 -0.9712 -0.9158 PRESSURE: 1934000 -73.1302 -158.956 136.074 -158.957 109.409 -0.649885 136.074 -0.649791 -17.1075 GPRESSURE: 1934000 -32.2496 -41.1843 107.476 -227.848 113.406 -9.34618 35.1494 91.3629 50.9776 PRESSAVG: 1934000 -25.0815 3.84918 -14.5691 3.84923 -2.17425 5.08683 -14.569 5.08687 -20.8942 GPRESSAVG: 1934000 -26.4144 3.59592 -12.6164 2.40982 -1.26889 4.20398 -16.2764 3.45282 -20.2367 TIMING: 1934000 CPU: 6099.72, 0.00313775/step Wall: 6099.72, 0.00313775/step, 2.67232 hours remaining, 239.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1934000 3897.1471 20592.1828 14374.6445 260.0445 -202888.0462 2317.2821 0.0000 0.0000 51969.7618 -109476.9834 298.6709 -161446.7453 -109114.2940 299.4137 6.3905 44.0447 761155.2327 -16.0500 -15.9733 PRESSURE: 1934200 -318.6 27.5074 -145.162 27.5074 -204.494 -115.136 -145.163 -115.137 443.475 GPRESSURE: 1934200 -195.276 27.5369 -172.927 68.7651 -192.373 -169.078 -244.303 -290.855 384.632 PRESSAVG: 1934200 20.7205 -30.1114 25.7455 -30.1114 9.17434 16.22 25.7455 16.22 9.73224 GPRESSAVG: 1934200 22.6446 -31.0224 23.8855 -26.0676 7.79448 16.0705 27.1337 17.0429 9.24868 TIMING: 1934200 CPU: 6100.35, 0.00313151/step Wall: 6100.35, 0.00313151/step, 2.66683 hours remaining, 239.585938 MB of memory in use. ENERGY: 1934200 3943.4665 20373.5805 14431.0641 246.5874 -203334.3915 2722.8848 0.0000 0.0000 52116.7290 -109500.0792 299.5156 -161616.8082 -109133.5658 298.8918 -26.5396 -1.0054 761356.5125 13.2090 13.2293 PRESSURE: 1934400 120.681 -37.7322 -254.599 -37.7315 34.2844 -54.8044 -254.598 -54.8041 531.553 GPRESSURE: 1934400 171.484 -49.8644 -205.467 30.967 117.553 -80.9028 -262.833 -115.759 498.033 PRESSAVG: 1934400 -3.86723 0.89703 -79.6935 0.897036 -18.9145 -7.15268 -79.6934 -7.15266 3.48665 GPRESSAVG: 1934400 -5.13741 1.89271 -80.6081 -2.69248 -18.0687 -6.35621 -80.3056 -9.78197 3.08478 TIMING: 1934400 CPU: 6100.98, 0.00314327/step Wall: 6100.98, 0.00314327/step, 2.67667 hours remaining, 239.585938 MB of memory in use. ENERGY: 1934400 3969.8529 20396.0056 14438.2885 261.8210 -203469.9229 2611.6152 0.0000 0.0000 52067.3856 -109724.9541 299.2320 -161792.3397 -109359.4080 298.9932 228.8396 262.3567 761637.9105 -6.4317 -6.7071 PRESSURE: 1934600 -268.614 -4.41535 -77.1808 -4.41628 -249.906 -309.979 -77.1802 -309.98 264.047 GPRESSURE: 1934600 -227.144 135.279 -115.479 -29.4897 -190.066 -227.804 -57.3268 -167.499 252.477 PRESSAVG: 1934600 5.11646 -35.694 -92.1918 -35.6939 24.1361 -50.8909 -92.1918 -50.8909 4.98805 GPRESSAVG: 1934600 3.58532 -35.4073 -91.9362 -35.0182 24.1574 -52.1214 -91.168 -48.8739 6.02837 TIMING: 1934600 CPU: 6101.61, 0.00314544/step Wall: 6101.61, 0.00314544/step, 2.67835 hours remaining, 239.585938 MB of memory in use. ENERGY: 1934600 3897.2515 20500.6478 14375.3622 245.6801 -203413.5612 2620.0405 0.0000 0.0000 52080.9864 -109693.5926 299.3101 -161774.5790 -109331.5846 299.1680 -84.8243 -54.9108 762432.8852 11.4135 11.2570 PRESSURE: 1934800 -51.712 2.48038 106.965 2.48073 -107.284 38.1343 106.966 38.1345 378.028 GPRESSURE: 1934800 33.7189 6.21888 105.039 -43.5639 -41.6309 103.96 61.464 -2.95305 318.807 PRESSAVG: 1934800 4.24203 3.25644 -61.3071 3.25639 8.54654 -14.7437 -61.3071 -14.7435 9.72611 GPRESSAVG: 1934800 5.59335 3.36291 -60.0079 2.56873 7.85256 -14.527 -60.2819 -15.2217 9.37595 TIMING: 1934800 CPU: 6102.24, 0.00315069/step Wall: 6102.24, 0.00315069/step, 2.68264 hours remaining, 239.585938 MB of memory in use. ENERGY: 1934800 4029.7790 20572.5289 14406.5379 250.0232 -203303.1238 2591.7241 0.0000 0.0000 51763.0379 -109689.4927 297.4829 -161452.5307 -109332.7599 298.8199 73.0108 103.6317 760241.8348 7.5049 7.6073 PRESSURE: 1935000 100.367 -5.93951 116.214 -5.9405 73.862 16.7557 116.214 16.7557 71.3175 GPRESSURE: 1935000 118.834 -97.1163 121.112 122.494 149.122 31.9571 44.3137 -37.7655 48.2212 PRESSAVG: 1935000 -43.2133 -29.1847 -23.6414 -29.1847 33.2815 -3.90485 -23.6414 -3.90488 5.32109 GPRESSAVG: 1935000 -44.5543 -30.0972 -24.8349 -27.1402 34.3158 -4.20503 -25.186 -2.14171 5.71374 TIMING: 1935000 CPU: 6102.87, 0.00314272/step Wall: 6102.87, 0.00314272/step, 2.67568 hours remaining, 239.585938 MB of memory in use. ENERGY: 1935000 4057.9945 20339.6576 14476.5061 246.0074 -203923.3567 2908.4518 0.0000 0.0000 52262.6271 -109632.1123 300.3540 -161894.7393 -109258.8066 299.0452 81.8488 105.3925 759486.6468 -1.5369 -1.5082 PRESSURE: 1935200 -94.0729 84.6781 6.79276 84.6777 -269.355 138.498 6.79285 138.497 -298.241 GPRESSURE: 1935200 -71.6712 26.3581 49.95 -38.403 -163.81 144.517 -79.2323 146.592 -328.731 PRESSAVG: 1935200 -3.35789 -27.4111 -17.1208 -27.4112 17.0673 18.1818 -17.1208 18.1818 -7.215 GPRESSAVG: 1935200 -0.297097 -29.0182 -16.5813 -29.4909 15.8641 19.5278 -20.4367 17.3618 -8.64344 TIMING: 1935200 CPU: 6103.49, 0.00313931/step Wall: 6103.49, 0.00313931/step, 2.6726 hours remaining, 239.585938 MB of memory in use. ENERGY: 1935200 3995.6175 20597.7733 14449.1948 235.7269 -203439.0500 2390.9106 0.0000 0.0000 52011.7345 -109758.0924 298.9122 -161769.8269 -109388.0268 299.5615 -220.5563 -188.0705 763122.8659 2.1648 2.3079 PRESSURE: 1935400 -72.0654 53.7664 145.011 53.7667 300.124 32.405 145.012 32.4046 -435.389 GPRESSURE: 1935400 23.8104 151.706 153.833 21.4927 277.042 42.9513 99.8896 124.698 -425.608 PRESSAVG: 1935400 6.64501 -39.4053 -6.95228 -39.4053 14.7712 78.5361 -6.95234 78.5361 5.26991 GPRESSAVG: 1935400 4.19396 -38.1464 -5.60709 -38.5411 16.7467 77.8166 -6.22509 77.6521 6.0835 TIMING: 1935400 CPU: 6104.12, 0.00312324/step Wall: 6104.12, 0.00312324/step, 2.65875 hours remaining, 239.585938 MB of memory in use. ENERGY: 1935400 3965.9348 20626.9439 14385.7434 243.5933 -203667.2602 2632.7495 0.0000 0.0000 51807.0844 -110005.2109 297.7360 -161812.2953 -109637.3078 298.6311 -69.1102 -41.5853 760411.9604 8.8954 9.0080 PRESSURE: 1935600 6.03573 -48.4324 -23.719 -48.4316 244.764 329.899 -23.7189 329.899 270.694 GPRESSURE: 1935600 78.1629 -52.3721 42.4284 107.064 256.711 339.947 -26.2112 198.328 263.442 PRESSAVG: 1935600 -24.2797 -33.3903 20.7558 -33.3902 21.8888 28.3182 20.7558 28.3183 -7.92118 GPRESSAVG: 1935600 -23.6305 -32.3256 19.976 -33.5572 20.6839 29.6579 21.9918 28.5565 -7.95442 TIMING: 1935600 CPU: 6104.74, 0.00312569/step Wall: 6104.74, 0.00312569/step, 2.66066 hours remaining, 239.585938 MB of memory in use. ENERGY: 1935600 4016.1523 20484.9672 14516.3525 265.7095 -204014.6416 2903.8798 0.0000 0.0000 51958.2095 -109869.3709 298.6045 -161827.5803 -109505.5616 298.5164 173.8315 199.4385 759585.4956 -3.4374 -3.6337 PRESSURE: 1935800 462.785 146.41 -100.38 146.409 -96.9755 -183.358 -100.38 -183.358 203.8 GPRESSURE: 1935800 475.233 96.7386 -68.5767 107.835 -24.5872 -217.892 -113.897 -71.6801 226.607 PRESSAVG: 1935800 -6.89086 -41.0969 -49.1402 -41.0969 37.6544 19.5551 -49.1402 19.5551 -17.2956 GPRESSAVG: 1935800 -6.77436 -43.6997 -50.0811 -38.7533 37.3952 19.6 -47.3227 20.2073 -17.3502 TIMING: 1935800 CPU: 6105.37, 0.0031449/step Wall: 6105.37, 0.0031449/step, 2.67684 hours remaining, 239.585938 MB of memory in use. ENERGY: 1935800 3909.7767 20548.5771 14502.4617 238.6885 -203925.5671 2782.3332 0.0000 0.0000 52024.1532 -109919.5767 298.9835 -161943.7299 -109545.3285 298.2335 189.8697 225.7510 761250.5514 4.4893 4.4235 PRESSURE: 1936000 267.454 -209.9 247.846 -209.901 154.097 138.697 247.847 138.698 468.169 GPRESSURE: 1936000 350.901 -127.725 277.101 -74.2736 153.808 96.337 119.07 70.9094 465.065 PRESSAVG: 1936000 15.0536 -7.76545 -27.9397 -7.76547 -18.6654 49.9536 -27.9397 49.9536 -19.3322 GPRESSAVG: 1936000 14.4808 -5.93887 -27.6186 -9.79899 -17.8557 49.2051 -29.6862 50.206 -18.7171 TIMING: 1936000 CPU: 6106, 0.00313897/step Wall: 6106, 0.00313898/step, 2.67162 hours remaining, 239.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1936000 3892.7194 20630.3898 14550.6952 249.4112 -204313.1535 3125.5481 0.0000 0.0000 51933.0310 -109931.3587 298.4598 -161864.3897 -109569.0456 298.5963 296.5733 323.2580 760049.3692 -7.6480 -7.3640 PRESSURE: 1936200 -143.686 -157.514 -177.24 -157.514 -305.108 207.557 -177.24 207.557 338.252 GPRESSURE: 1936200 -99.0677 -145.985 -215.692 -223.856 -297.071 219.906 -150.618 191.171 375.912 PRESSAVG: 1936200 39.2788 -52.1521 27.2988 -52.1521 -12.0331 17.4254 27.2988 17.4253 -5.54614 GPRESSAVG: 1936200 39.177 -51.6831 26.9276 -52.8053 -12.8272 17.1588 27.9717 16.5878 -5.07418 TIMING: 1936200 CPU: 6106.63, 0.00313893/step Wall: 6106.63, 0.00313893/step, 2.6714 hours remaining, 239.585938 MB of memory in use. ENERGY: 1936200 3947.1863 20451.2112 14525.7369 248.7124 -203637.0354 2514.6570 0.0000 0.0000 52007.9337 -109941.5978 298.8903 -161949.5316 -109573.3152 298.3755 -36.8472 -6.7424 761317.8062 7.2332 7.0919 LDB: ============= START OF LOAD BALANCING ============== 6119.02 LDB: ============== END OF LOAD BALANCING =============== 6119.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6119.03 LDB: ============= START OF LOAD BALANCING ============== 6119.34 LDB: Largest compute 7034 load 0.033912 is 17.3% of average load 0.195911 LDB: Average compute 0.004418 is 2.3% of average load 0.195911 LDB: TIME 6119.34 LOAD: AVG 0.195911 MAX 0.217159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.328 MB LDB: TIME 6119.34 LOAD: AVG 0.195911 MAX 0.217159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 6119.34 LOAD: AVG 0.195911 MAX 0.217159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6119.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6119.35 PRESSURE: 1936400 111.027 130.779 111.523 130.778 229.455 138.403 111.524 138.403 569.29 GPRESSURE: 1936400 90.6476 37.6576 169.386 193.312 243.847 132.432 119.007 199.231 653.47 PRESSAVG: 1936400 43.0131 -12.4593 8.17674 -12.4592 -27.1549 -0.271878 8.17677 -0.2719 8.8632 GPRESSAVG: 1936400 42.1116 -12.8629 9.24016 -10.7327 -26.6145 -0.0269954 9.16562 0.950629 8.75967 TIMING: 1936400 CPU: 6107.27, 0.00320148/step Wall: 6107.27, 0.00320148/step, 2.72446 hours remaining, 239.378906 MB of memory in use. ENERGY: 1936400 3973.2696 20670.8376 14472.5518 237.5189 -204541.4187 3441.1338 0.0000 0.0000 51844.3469 -109901.7602 297.9502 -161746.1071 -109551.8557 298.3328 303.2575 329.3216 760118.3491 8.2404 8.0856 PRESSURE: 1936600 60.916 5.38416 -70.4144 5.38397 -48.6218 234.81 -70.4153 234.809 -190.401 GPRESSURE: 1936600 100.154 -40.8588 -44.7024 3.56392 -14.0292 274.359 -40.1696 191.766 -181.241 PRESSAVG: 1936600 -2.50566 11.0096 -10.4294 11.0096 50.6463 0.0458479 -10.4294 0.0458867 -10.1345 GPRESSAVG: 1936600 -1.27094 10.8137 -11.1327 12.778 50.0856 -1.2847 -12.114 -2.04897 -10.2155 TIMING: 1936600 CPU: 6107.9, 0.003138/step Wall: 6107.9, 0.003138/step, 2.67026 hours remaining, 239.378906 MB of memory in use. ENERGY: 1936600 4029.3390 20433.3069 14574.2694 220.4895 -203625.7533 2854.2562 0.0000 0.0000 51586.6336 -109927.4587 296.4691 -161514.0923 -109560.8562 298.3614 -59.3689 -31.7054 762948.0186 12.6687 12.8664 PRESSURE: 1936800 62.7142 -199.543 86.1061 -199.544 214.913 139.653 86.106 139.653 293.15 GPRESSURE: 1936800 126.887 -194.947 34.8067 -172.292 134.528 101.679 100.969 244.082 384.326 PRESSAVG: 1936800 -16.5655 -15.165 2.49768 -15.1651 7.38854 36.7836 2.4977 36.7836 14.301 GPRESSAVG: 1936800 -17.4668 -12.7163 2.01387 -16.274 7.51451 39.1361 3.15678 37.6988 14.6046 TIMING: 1936800 CPU: 6108.52, 0.00313725/step Wall: 6108.52, 0.00313725/step, 2.66945 hours remaining, 239.378906 MB of memory in use. ENERGY: 1936800 4041.0016 20578.1087 14411.7528 233.3638 -204198.9185 2904.7616 0.0000 0.0000 52193.1172 -109836.8127 299.9546 -162029.9299 -109481.0943 298.1619 190.2590 215.2473 759167.3254 1.7080 1.5508 PRESSURE: 1937000 -134.272 226.412 -157.442 226.411 -119.119 90.3409 -157.443 90.3396 -175.893 GPRESSURE: 1937000 -98.276 195.998 -225.712 172.915 -86.1424 113.172 -136.591 -23.8167 -169.799 PRESSAVG: 1937000 -22.023 6.57818 17.3817 6.5782 12.6455 -22.075 17.3817 -22.0751 10.0103 GPRESSAVG: 1937000 -21.7536 3.85587 17.1858 3.98982 12.8277 -23.3087 17.7039 -21.8231 9.89917 TIMING: 1937000 CPU: 6109.15, 0.00312929/step Wall: 6109.15, 0.00312929/step, 2.6625 hours remaining, 239.378906 MB of memory in use. ENERGY: 1937000 4044.3960 20531.8553 14451.4501 253.8488 -203446.7776 2601.8391 0.0000 0.0000 51806.7400 -109756.6481 297.7340 -161563.3881 -109405.1933 299.1841 -143.0946 -118.0725 760783.1515 0.2109 0.3244 PRESSURE: 1937200 -293.086 56.8305 -167.125 56.83 -136.706 59.8985 -167.125 59.898 -28.9387 GPRESSURE: 1937200 -224.69 37.2001 -240.551 -34.0275 -133.395 10.5063 -39.8848 60.8608 -25.1359 PRESSAVG: 1937200 -15.967 22.7281 29.9645 22.7281 2.65056 27.6267 29.9645 27.6267 -16.3311 GPRESSAVG: 1937200 -15.1736 22.7188 31.2615 25.2649 2.45457 29.0401 29.2706 26.3096 -17.1553 TIMING: 1937200 CPU: 6109.78, 0.00313389/step Wall: 6109.78, 0.00313389/step, 2.66625 hours remaining, 239.378906 MB of memory in use. ENERGY: 1937200 4004.2712 20564.9021 14441.9767 247.3009 -203522.5397 2436.4028 0.0000 0.0000 52213.9306 -109613.7554 300.0742 -161827.6860 -109247.8297 298.9976 -152.9105 -127.7400 759400.1160 -9.8825 -9.9581 PRESSURE: 1937400 -41.024 -109.559 -140.628 -109.558 -225.069 44.116 -140.629 44.1158 175.467 GPRESSURE: 1937400 -42.1849 -78.0303 -117.265 -144.671 -212.988 98.3774 -34.3575 -50.1175 263.803 PRESSAVG: 1937400 -42.294 -12.5614 -30.3717 -12.5614 49.3516 -18.8959 -30.3717 -18.8959 -27.9846 GPRESSAVG: 1937400 -43.3876 -13.5781 -32.097 -13.3261 49.3624 -21.1219 -27.7192 -17.0583 -26.9097 TIMING: 1937400 CPU: 6110.4, 0.00313308/step Wall: 6110.4, 0.00313308/step, 2.66538 hours remaining, 239.378906 MB of memory in use. ENERGY: 1937400 4064.8699 20582.1820 14515.4637 258.1889 -203315.7873 2368.1955 0.0000 0.0000 51966.7269 -109560.1603 298.6535 -161526.8873 -109200.7748 299.0951 -30.2086 2.8767 760453.6583 -6.9756 -6.9783 PRESSURE: 1937600 86.858 228.889 38.4975 228.888 -388.887 -116.076 38.4966 -116.076 32.6635 GPRESSURE: 1937600 54.7795 211.101 21.3743 224.321 -244.66 -132.583 -28.5553 -131.399 6.92973 PRESSAVG: 1937600 -38.8313 10.2921 16.0732 10.292 79.7397 28.3972 16.0732 28.3972 -13.1355 GPRESSAVG: 1937600 -39.6924 12.7127 16.7257 9.81326 79.3686 28.3749 13.3621 27.5822 -12.2614 TIMING: 1937600 CPU: 6111.04, 0.00317073/step Wall: 6111.04, 0.00317073/step, 2.69724 hours remaining, 239.378906 MB of memory in use. ENERGY: 1937600 3907.5849 20626.4955 14416.4077 245.5985 -203563.7810 2616.8627 0.0000 0.0000 52143.9178 -109606.9138 299.6718 -161750.8317 -109249.5942 299.4607 -89.7884 -60.9837 761993.6331 9.2576 9.1383 PRESSURE: 1937800 -268.292 -22.7409 119.011 -22.7409 -340.989 160.836 119.011 160.838 166.567 GPRESSURE: 1937800 -204.279 -53.8128 106.842 -17.0327 -303.327 176.384 45.59 116.371 156.543 PRESSAVG: 1937800 20.2186 -10.1558 -10.9036 -10.1557 -29.4693 44.8816 -10.9037 44.8816 -16.9861 GPRESSAVG: 1937800 21.8395 -9.17094 -9.53319 -10.8118 -29.2919 44.9912 -11.0102 46.1439 -18.3032 TIMING: 1937800 CPU: 6111.67, 0.0031648/step Wall: 6111.67, 0.0031648/step, 2.69202 hours remaining, 239.378906 MB of memory in use. ENERGY: 1937800 3957.7806 20489.9551 14405.7583 237.1815 -203085.4992 2354.6774 0.0000 0.0000 52153.8008 -109486.3454 299.7286 -161640.1462 -109131.3693 299.5069 -147.5713 -117.0212 761484.8003 -8.7456 -8.5852 PRESSURE: 1938000 219.771 -49.6692 -242.981 -49.6691 43.0406 -23.7049 -242.981 -23.7049 -259.923 GPRESSURE: 1938000 202.535 -184.429 -280.378 36.7803 98.3972 -65.9725 -155.869 -49.1689 -212.444 PRESSAVG: 1938000 -11.0143 32.3306 2.81302 32.3305 -1.63768 35.0917 2.81301 35.0917 20.8438 GPRESSAVG: 1938000 -12.1585 29.1174 4.45112 33.8292 -2.27163 35.9352 2.25397 35.1173 22.5353 TIMING: 1938000 CPU: 6112.3, 0.00313239/step Wall: 6112.3, 0.00313239/step, 2.66427 hours remaining, 239.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1938000 3985.0840 20348.8030 14505.7253 249.9586 -203499.4417 2678.7058 0.0000 0.0000 52187.8827 -109543.2822 299.9245 -161731.1649 -109183.9920 299.3918 0.9630 29.4959 760265.8379 2.7306 2.7017 PRESSURE: 1938200 193.984 -421.694 -204.05 -421.694 -50.8318 203.545 -204.051 203.544 -429.051 GPRESSURE: 1938200 159.651 -212.452 -260.66 -331.997 11.7364 211.372 -212.108 138.311 -365.955 PRESSAVG: 1938200 41.361 -0.303647 14.4792 -0.303606 -60.5514 -20.3082 14.4792 -20.3083 8.00942 GPRESSAVG: 1938200 41.086 1.83674 12.6325 -2.64584 -58.7375 -22.092 13.6842 -21.642 6.68588 TIMING: 1938200 CPU: 6112.93, 0.00314863/step Wall: 6112.93, 0.00314863/step, 2.67791 hours remaining, 239.378906 MB of memory in use. ENERGY: 1938200 3974.0944 20675.5239 14496.9668 258.6428 -203126.8095 2174.9868 0.0000 0.0000 52158.3188 -109388.2760 299.7546 -161546.5948 -109035.4139 299.6874 -95.2994 -64.8558 760255.6305 -3.7270 -3.6552 PRESSURE: 1938400 129.802 141.486 296.22 141.486 -162.682 65.107 296.219 65.1065 -291.025 GPRESSURE: 1938400 60.4344 101.676 316.74 92.7126 -19.5342 21.6488 361.38 123.567 -275.97 PRESSAVG: 1938400 27.5451 2.31474 17.8711 2.31474 -30.6584 -12.7717 17.8711 -12.7716 2.46041 GPRESSAVG: 1938400 28.1276 3.57709 17.4445 3.97695 -32.0012 -12.5555 20.9597 -11.0383 2.6521 TIMING: 1938400 CPU: 6113.55, 0.00313712/step Wall: 6113.55, 0.00313712/step, 2.66795 hours remaining, 239.378906 MB of memory in use. ENERGY: 1938400 4004.3275 20479.2167 14493.4189 233.2937 -202990.7175 2420.6502 0.0000 0.0000 51954.2066 -109405.6040 298.5815 -161359.8106 -109046.0185 299.4361 -107.9686 -78.3566 760166.1427 -0.2176 -0.4072 PRESSURE: 1938600 -159.656 85.9119 -33.9568 85.9116 -62.4256 10.1526 -33.9566 10.1529 -87.5791 GPRESSURE: 1938600 -13.638 -87.0759 -68.5391 21.9596 -160.994 -6.72471 115.618 -45.2523 -50.5449 PRESSAVG: 1938600 14.5017 -46.1401 -5.6317 -46.1402 -6.24595 2.71942 -5.63171 2.71941 -0.241423 GPRESSAVG: 1938600 14.7839 -48.6826 -4.1458 -44.8492 -6.25972 2.79982 -6.77254 0.315373 -1.07177 TIMING: 1938600 CPU: 6114.18, 0.00312647/step Wall: 6114.18, 0.00312647/step, 2.65871 hours remaining, 239.378906 MB of memory in use. ENERGY: 1938600 4008.5745 20497.4593 14554.9848 266.7525 -202986.6811 2431.5876 0.0000 0.0000 52026.9418 -109200.3807 298.9995 -161227.3225 -108846.2207 299.2752 -103.2203 -75.0590 761271.1651 2.6714 2.4841 PRESSURE: 1938800 -243.707 -72.8702 -29.3391 -72.87 -389.472 -187.242 -29.3397 -187.242 -408.159 GPRESSURE: 1938800 -171.06 -119.465 13.7246 -101.207 -409.063 -182.758 -31.2651 -143.078 -381.579 PRESSAVG: 1938800 -53.3053 35.7315 -41.8209 35.7315 84.1403 31.7669 -41.8209 31.7667 -3.25518 GPRESSAVG: 1938800 -53.2622 35.1149 -40.7467 35.4823 83.7016 32.659 -42.5297 33.3587 -2.22639 TIMING: 1938800 CPU: 6114.8, 0.00311504/step Wall: 6114.8, 0.00311504/step, 2.64882 hours remaining, 239.378906 MB of memory in use. ENERGY: 1938800 4049.5603 20466.7206 14465.7079 252.9282 -202754.7582 2296.1298 0.0000 0.0000 52171.0001 -109052.7114 299.8275 -161223.7114 -108685.1409 299.6103 -347.1128 -320.5672 760756.6236 9.1933 9.4043 PRESSURE: 1939000 -145.055 69.4233 77.5327 69.4239 -398.848 93.8126 77.5329 93.8121 104.152 GPRESSURE: 1939000 -117.566 102.887 117.386 170.989 -284.665 91.1358 -35.1958 74.9872 36.3264 PRESSAVG: 1939000 24.0041 27.3112 9.51593 27.3112 -73.1842 9.84888 9.51591 9.84895 24.4666 GPRESSAVG: 1939000 23.7256 26.0736 8.31425 28.1094 -72.286 10.1555 9.96103 11.5936 23.7696 TIMING: 1939000 CPU: 6115.43, 0.00313275/step Wall: 6115.43, 0.00313275/step, 2.66371 hours remaining, 239.378906 MB of memory in use. ENERGY: 1939000 4039.0339 20551.7899 14492.5124 233.3084 -202826.9136 2487.5751 0.0000 0.0000 52191.4617 -108831.2322 299.9450 -161022.6939 -108464.9471 300.3925 -146.5835 -121.9681 761291.3403 -8.2378 -8.2636 PRESSURE: 1939200 -18.6083 -89.4933 175.389 -89.4932 -100.838 5.19374 175.39 5.19205 489.465 GPRESSURE: 1939200 17.8912 77.5215 134.04 -71.7446 -128.326 34.1903 223.31 9.41519 550.621 PRESSAVG: 1939200 61.334 -4.62162 -30.5665 -4.62166 -28.749 3.31292 -30.5665 3.31285 -21.1715 GPRESSAVG: 1939200 60.1186 -1.41822 -30.9059 -6.66348 -29.6725 3.73566 -31.026 3.07718 -19.4064 TIMING: 1939200 CPU: 6116.05, 0.00312202/step Wall: 6116.05, 0.00312202/step, 2.65441 hours remaining, 239.378906 MB of memory in use. ENERGY: 1939200 4057.6176 20749.1781 14433.3212 252.5382 -203043.2411 2613.2177 0.0000 0.0000 52307.5267 -108629.8416 300.6121 -160937.3683 -108267.8601 300.5091 123.3397 146.7289 761308.9963 3.8045 3.6799 PRESSURE: 1939400 -39.0894 31.2195 97.2102 31.2191 -307.756 -16.5049 97.2094 -16.5059 -39.7905 GPRESSURE: 1939400 68.1394 -5.17775 202.913 -77.4576 -229.943 44.1621 117.353 -148.264 -145.758 PRESSAVG: 1939400 86.5938 48.1978 -38.1045 48.1979 -76.4147 -13.9501 -38.1045 -13.95 -8.30414 GPRESSAVG: 1939400 87.4693 47.8344 -36.7578 49.9228 -76.5049 -14.8163 -36.9336 -14.0549 -9.36124 TIMING: 1939400 CPU: 6116.68, 0.00311843/step Wall: 6116.68, 0.00311843/step, 2.65118 hours remaining, 239.378906 MB of memory in use. ENERGY: 1939400 3999.7390 20500.0985 14477.5959 243.5194 -203099.6506 2401.7840 0.0000 0.0000 52336.2835 -109140.6304 300.7773 -161476.9139 -108764.2129 300.6102 -128.8787 -102.5205 762151.2856 0.6250 0.5344 PRESSURE: 1939600 -48.3552 109.59 0.934141 109.59 70.7177 -187.072 0.934141 -187.072 -84.7207 GPRESSURE: 1939600 -80.7015 127.489 3.62584 41.1011 157.779 -128.166 46.0223 -35.2437 -52.4677 PRESSAVG: 1939600 50.3136 12.4346 -15.8167 12.4346 -40.1399 23.5652 -15.8167 23.5652 14.2713 GPRESSAVG: 1939600 50.499 10.0329 -15.8797 11.2568 -40.4042 25.5929 -16.8523 22.3606 14.6564 TIMING: 1939600 CPU: 6117.3, 0.00310677/step Wall: 6117.3, 0.00310677/step, 2.6411 hours remaining, 239.378906 MB of memory in use. ENERGY: 1939600 4003.6814 20712.1273 14432.2076 244.1611 -203228.7989 2512.6181 0.0000 0.0000 52153.3777 -109170.6258 299.7262 -161324.0035 -108812.3178 300.1098 -20.7861 8.2032 761778.8572 8.1483 8.2504 PRESSURE: 1939800 123.003 -15.1332 -261.929 -15.134 22.6942 -113.915 -261.929 -113.914 2.48639 GPRESSURE: 1939800 139.305 -76.6922 -194.505 -89.1849 -4.19001 -109.01 -278.605 -113.33 107.266 PRESSAVG: 1939800 20.2391 -46.5636 -56.5106 -46.5636 -11.4433 -58.3773 -56.5106 -58.3773 11.0881 GPRESSAVG: 1939800 20.7476 -46.4031 -56.8649 -46.8925 -11.7286 -59.6189 -56.1655 -57.3974 10.8151 TIMING: 1939800 CPU: 6117.92, 0.00312055/step Wall: 6117.92, 0.00312055/step, 2.65264 hours remaining, 239.378906 MB of memory in use. ENERGY: 1939800 3981.2550 20544.6501 14474.4813 236.1464 -203147.0914 2481.9280 0.0000 0.0000 52235.1210 -109193.5096 300.1960 -161428.6307 -108832.7174 300.2329 49.3945 80.7937 762721.1261 6.6280 6.6113 PRESSURE: 1940000 -340.569 57.6449 7.29454 57.645 -324.994 56.9509 7.29452 56.9504 354.95 GPRESSURE: 1940000 -251.984 28.7662 73.9496 -62.7441 -276.289 39.7175 44.6792 180.384 300.229 PRESSAVG: 1940000 5.19323 15.2755 52.9285 15.2755 -5.32853 -9.25119 52.9285 -9.25124 -4.82815 GPRESSAVG: 1940000 4.15419 16.6404 51.881 15.9074 -3.84571 -9.08885 52.9806 -11.5398 -5.07917 TIMING: 1940000 CPU: 6118.55, 0.00312903/step Wall: 6118.55, 0.00312903/step, 2.65967 hours remaining, 239.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1940000 3988.2998 20361.7132 14546.6188 237.9502 -202768.3192 2189.3874 0.0000 0.0000 52296.3551 -109147.9947 300.5479 -161444.3497 -108773.8035 299.8172 -103.5378 -76.0147 763628.8673 -1.6545 -1.5902 PRESSURE: 1940200 158.654 57.7174 145.346 57.7182 200.471 126.038 145.346 126.038 -116.752 GPRESSURE: 1940200 204.834 78.388 111.059 -16.5437 136.004 106.825 3.40869 180.545 -29.4687 PRESSAVG: 1940200 -6.82634 -67.4395 -16.8472 -67.4395 -22.6089 13.9434 -16.8471 13.9434 35.9239 GPRESSAVG: 1940200 -7.86387 -68.8579 -17.3534 -66.1994 -21.4359 13.2029 -19.1454 15.417 36.1134 TIMING: 1940200 CPU: 6119.17, 0.00312726/step Wall: 6119.17, 0.00312726/step, 2.658 hours remaining, 239.378906 MB of memory in use. ENERGY: 1940200 3966.8279 20611.5699 14463.6649 243.0813 -203036.9371 2437.7002 0.0000 0.0000 51861.7612 -109452.3316 298.0503 -161314.0928 -109098.4951 299.6339 80.7910 103.7901 762087.9076 2.1629 2.2712 LDB: ============= START OF LOAD BALANCING ============== 6131.57 LDB: ============== END OF LOAD BALANCING =============== 6131.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6131.57 LDB: ============= START OF LOAD BALANCING ============== 6131.88 LDB: Largest compute 7058 load 0.031501 is 16.1% of average load 0.195915 LDB: Average compute 0.004408 is 2.2% of average load 0.195915 LDB: TIME 6131.89 LOAD: AVG 0.195915 MAX 0.217371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.031 MB LDB: TIME 6131.89 LOAD: AVG 0.195915 MAX 0.217371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.035 MB LDB: TIME 6131.89 LOAD: AVG 0.195915 MAX 0.217371 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.035 MB LDB: ============== END OF LOAD BALANCING =============== 6131.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6131.89 PRESSURE: 1940400 194.26 -20.5383 43.9624 -20.5388 -133.567 -33.7756 43.9642 -33.7754 92.1883 GPRESSURE: 1940400 318.714 47.4309 71.9026 70.3674 -137.712 70.6594 158.28 -29.099 52.6353 PRESSAVG: 1940400 69.7218 -23.9462 -11.7754 -23.9461 -1.64925 28.2023 -11.7754 28.2024 -21.0957 GPRESSAVG: 1940400 70.0741 -21.6871 -10.5499 -24.7353 -3.14338 29.2809 -9.39479 28.8871 -20.0207 TIMING: 1940400 CPU: 6119.81, 0.00319135/step Wall: 6119.81, 0.00319135/step, 2.71229 hours remaining, 239.632812 MB of memory in use. ENERGY: 1940400 4014.3502 20431.9215 14445.0871 245.3438 -203404.3711 2753.2034 0.0000 0.0000 51895.3781 -109619.0869 298.2435 -161514.4651 -109264.2624 299.1924 50.9606 77.8791 759899.0429 15.6589 15.6367 PRESSURE: 1940600 195.558 156.465 -117.01 156.465 200.645 26.3456 -117.01 26.3443 551.478 GPRESSURE: 1940600 235.498 162.438 -166.774 114.218 252.849 43.1165 -58.6949 124.922 551.74 PRESSAVG: 1940600 57.4194 -1.69437 -0.926488 -1.69435 -50.9774 31.5925 -0.926425 31.5926 5.51641 GPRESSAVG: 1940600 57.6322 -1.67911 -2.12143 -1.86212 -49.582 31.3765 -2.16675 31.669 3.87231 TIMING: 1940600 CPU: 6120.43, 0.0031148/step Wall: 6120.43, 0.0031148/step, 2.64706 hours remaining, 239.835938 MB of memory in use. ENERGY: 1940600 3955.8726 20317.6300 14505.1172 238.9343 -203990.9593 3044.5054 0.0000 0.0000 52126.5171 -109802.3828 299.5718 -161928.8998 -109437.8589 298.5550 315.8937 346.6957 760640.8149 3.9861 3.9742 PRESSURE: 1940800 -220.352 -194.08 -250.144 -194.081 -239.311 -81.2824 -250.144 -81.2821 -178.617 GPRESSURE: 1940800 -162.382 -148.073 -190.403 -92.3249 -224.567 -32.059 -140.468 -147.144 -156.571 PRESSAVG: 1940800 19.5328 -1.33913 72.8328 -1.33915 -32.2872 17.498 72.8328 17.4979 17.6565 GPRESSAVG: 1940800 18.8947 -1.81482 74.7821 -1.69375 -32.5357 15.6596 72.9824 15.4242 18.6158 TIMING: 1940800 CPU: 6121.06, 0.0031202/step Wall: 6121.06, 0.00312021/step, 2.65148 hours remaining, 239.835938 MB of memory in use. ENERGY: 1940800 3991.1014 20425.0605 14345.7094 250.1206 -203339.5766 2534.1968 0.0000 0.0000 51950.7930 -109842.5949 298.5619 -161793.3879 -109481.2123 298.3433 -212.7601 -181.1732 762592.9576 1.6340 1.6582 PRESSURE: 1941000 136.251 -50.5198 -34.077 -50.5204 -27.7591 149.809 -34.076 149.809 133.603 GPRESSURE: 1941000 214.249 -137.304 -134.339 -116.252 -38.6331 81.4352 -26.7605 141.7 145.694 PRESSAVG: 1941000 -17.8416 -77.0118 -1.79935 -77.0118 46.5315 20.3522 -1.79937 20.3521 -8.28028 GPRESSAVG: 1941000 -17.4809 -77.2503 -2.4683 -77.2669 45.4791 21.4216 -0.494956 22.081 -7.84792 TIMING: 1941000 CPU: 6121.69, 0.00313772/step Wall: 6121.69, 0.00313773/step, 2.66619 hours remaining, 239.835938 MB of memory in use. ENERGY: 1941000 3913.0155 20447.7028 14428.3949 239.9557 -203472.6198 2436.6546 0.0000 0.0000 52294.2410 -109712.6553 300.5357 -162006.8964 -109342.0944 298.5188 80.6981 107.1033 760053.7489 6.8032 6.7167 PRESSURE: 1941200 23.9096 -95.3038 28.4997 -95.3042 116.786 -275.157 28.4992 -275.156 80.322 GPRESSURE: 1941200 -5.09249 -165.443 112.37 -81.2379 152.278 -187.396 37.7804 -295.448 146.024 PRESSAVG: 1941200 47.359 -58.4702 12.9624 -58.4702 -17.3231 -11.0218 12.9623 -11.0218 11.6782 GPRESSAVG: 1941200 48.0529 -58.4527 12.1817 -56.6486 -18.3619 -10.1488 11.212 -9.94945 11.734 TIMING: 1941200 CPU: 6122.31, 0.00312446/step Wall: 6122.31, 0.00312446/step, 2.65475 hours remaining, 239.835938 MB of memory in use. ENERGY: 1941200 3926.9249 20500.2403 14453.9141 247.7759 -203668.9301 2812.9103 0.0000 0.0000 51976.5253 -109750.6392 298.7098 -161727.1645 -109385.0347 298.6384 73.6724 97.7367 761519.0889 13.9047 13.8084 PRESSURE: 1941400 14.0438 46.9333 113.211 46.9333 -178.148 -244.494 113.21 -244.494 -94.6226 GPRESSURE: 1941400 97.7129 -61.3383 79.3771 107.493 -115.249 -252.155 39.9128 -322.386 -146.7 PRESSAVG: 1941400 43.3167 11.4648 86.5246 11.4648 -33.4879 -27.3561 86.5246 -27.3561 -1.84156 GPRESSAVG: 1941400 42.9977 10.575 87.7409 10.0867 -30.9144 -29.5956 86.181 -28.6236 -3.98744 TIMING: 1941400 CPU: 6122.94, 0.00312625/step Wall: 6122.94, 0.00312625/step, 2.6561 hours remaining, 239.835938 MB of memory in use. ENERGY: 1941400 3938.8104 20345.8332 14465.1106 231.3873 -203286.4461 2385.8391 0.0000 0.0000 52093.3783 -109826.0872 299.3814 -161919.4655 -109458.6646 298.2973 -86.2421 -54.7454 762258.9867 2.6624 2.6986 PRESSURE: 1941600 80.8283 56.7969 -95.8204 56.7969 231.158 119.619 -95.8209 119.618 -72.6318 GPRESSURE: 1941600 248.447 63.2776 -56.6881 -24.5286 118.746 74.8772 -130.801 147.419 -47.1508 PRESSAVG: 1941600 71.8312 -71.9978 24.0633 -71.9978 -47.363 -37.0804 24.0632 -37.0804 1.04349 GPRESSAVG: 1941600 71.625 -71.5731 24.1551 -71.2696 -48.4077 -36.3457 24.0813 -37.0618 2.02392 TIMING: 1941600 CPU: 6123.56, 0.00311621/step Wall: 6123.56, 0.00311621/step, 2.64739 hours remaining, 239.835938 MB of memory in use. ENERGY: 1941600 4018.4836 20617.5012 14529.1669 256.5719 -203403.3165 2538.4932 0.0000 0.0000 51549.8131 -109893.2866 296.2575 -161443.0997 -109550.9469 298.4859 79.7849 106.6807 762933.0220 8.5039 8.4137 PRESSURE: 1941800 -6.79832 16.0096 203.235 16.01 -92.4688 125.226 203.236 125.225 -239.295 GPRESSURE: 1941800 23.1451 11.5341 172.4 50.2893 -101.897 152.207 135.547 110.699 -152.648 PRESSAVG: 1941800 16.7148 -56.8023 30.7695 -56.8023 -0.578302 -8.68973 30.7694 -8.68971 -22.299 GPRESSAVG: 1941800 17.4915 -55.0899 30.244 -57.6115 -1.67452 -7.68499 31.815 -9.54244 -22.0011 TIMING: 1941800 CPU: 6124.18, 0.00310596/step Wall: 6124.18, 0.00310596/step, 2.63851 hours remaining, 239.835938 MB of memory in use. ENERGY: 1941800 3969.0063 20447.0422 14466.0969 243.7079 -203563.4008 2675.5551 0.0000 0.0000 51994.2841 -109767.7083 298.8119 -161761.9923 -109405.8175 298.2806 -112.8540 -77.1333 761812.8829 -2.0542 -2.0614 PRESSURE: 1942000 37.7817 -101.391 -110.944 -101.391 -96.2568 -151.641 -110.944 -151.642 -42.1417 GPRESSURE: 1942000 26.8591 -117.877 -63.7736 -149.409 -24.2948 -96.8159 -141.884 -95.1569 -17.7782 PRESSAVG: 1942000 -6.62279 -25.5648 -14.9811 -25.5649 -5.86387 11.4045 -14.9812 11.4044 4.51846 GPRESSAVG: 1942000 -7.4457 -28.4409 -14.9096 -26.1343 -5.71611 11.2657 -14.2295 10.021 4.94407 TIMING: 1942000 CPU: 6124.8, 0.0031156/step Wall: 6124.8, 0.0031156/step, 2.64653 hours remaining, 239.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1942000 4008.5337 20332.3435 14450.3061 231.1548 -203510.6960 2758.0660 0.0000 0.0000 51891.4582 -109838.8336 298.2209 -161730.2918 -109477.2805 298.2556 -33.5389 -5.0713 761356.1690 -2.6561 -2.7392 PRESSURE: 1942200 -47.733 -0.976763 -302.088 -0.976905 323.361 50.3454 -302.088 50.3461 339.516 GPRESSURE: 1942200 -49.9625 -51.6447 -282.264 -7.85006 400.068 25.609 -427.661 1.62772 342.468 PRESSAVG: 1942200 18.7175 15.7816 -1.42416 15.7816 -27.4342 -3.70884 -1.4242 -3.70883 -12.1759 GPRESSAVG: 1942200 18.3525 17.0922 -1.35894 14.6002 -26.2131 -5.05664 -3.74887 -2.52012 -13.2843 TIMING: 1942200 CPU: 6125.43, 0.00312704/step Wall: 6125.43, 0.00312704/step, 2.65607 hours remaining, 239.835938 MB of memory in use. ENERGY: 1942200 3963.1845 20639.3895 14453.2129 264.9182 -203738.1737 2963.4494 0.0000 0.0000 51727.3555 -109726.6637 297.2778 -161454.0192 -109374.7164 298.9333 205.0479 230.8580 760600.1405 -6.9642 -7.0483 PRESSURE: 1942400 -115.739 -191.242 126.692 -191.241 69.3258 240.194 126.692 240.194 -131.627 GPRESSURE: 1942400 -98.1315 -111.041 63.3091 -172.111 118.873 299.313 49.7691 139.518 -115.196 PRESSAVG: 1942400 18.0003 11.1461 -7.28957 11.146 -28.015 -8.07919 -7.28958 -8.07922 -19.9549 GPRESSAVG: 1942400 18.1416 11.1743 -6.97299 11.8622 -28.394 -7.96045 -6.40906 -8.56612 -19.6004 TIMING: 1942400 CPU: 6126.06, 0.00313532/step Wall: 6126.06, 0.00313532/step, 2.66293 hours remaining, 239.835938 MB of memory in use. ENERGY: 1942400 4022.9124 20501.3957 14433.6976 237.3158 -203278.8942 2507.2053 0.0000 0.0000 51904.2333 -109672.1340 298.2943 -161576.3674 -109311.2989 298.8322 -59.3466 -31.4847 760470.3100 -9.9899 -9.9509 PRESSURE: 1942600 -370.957 97.7117 -261.428 97.7119 -225.511 -238.423 -261.427 -238.423 -512.381 GPRESSURE: 1942600 -380.636 70.8934 -237.685 30.1425 -152.828 -289.178 -157.477 -162.148 -491.963 PRESSAVG: 1942600 -14.2994 -30.7154 -43.531 -30.7154 -4.10576 55.8439 -43.531 55.8438 8.92376 GPRESSAVG: 1942600 -13.6418 -30.2093 -44.8497 -30.3737 -5.0154 57.3961 -43.1289 55.8263 9.50692 TIMING: 1942600 CPU: 6126.69, 0.00314793/step Wall: 6126.69, 0.00314793/step, 2.67346 hours remaining, 239.835938 MB of memory in use. ENERGY: 1942600 4014.5919 20427.8651 14374.2164 242.3141 -203448.4140 2763.1244 0.0000 0.0000 52035.2965 -109591.0056 299.0476 -161626.3021 -109232.8812 298.9280 -369.6162 -341.8089 762285.9239 -3.1605 -3.0501 PRESSURE: 1942800 -125.391 -76.8179 35.5786 -76.8166 -172.946 33.4144 35.5788 33.4137 147.188 GPRESSURE: 1942800 -83.2176 -206.667 95.4981 -71.4123 -165.128 -2.81083 43.1164 -143.12 185.688 PRESSAVG: 1942800 4.46731 -13.7679 24.981 -13.7678 -49.6355 -11.5081 24.9809 -11.5081 -9.77681 GPRESSAVG: 1942800 4.23861 -12.802 26.1514 -14.8263 -49.2738 -12.3339 24.4047 -11.9691 -9.88675 TIMING: 1942800 CPU: 6127.31, 0.00313948/step Wall: 6127.31, 0.00313948/step, 2.66612 hours remaining, 239.835938 MB of memory in use. ENERGY: 1942800 3942.3599 20480.1363 14392.6397 280.0018 -203146.8864 2641.6896 0.0000 0.0000 51939.9184 -109470.1406 298.4994 -161410.0591 -109112.3506 299.0624 -50.3833 -20.8859 763914.0707 -18.3150 -18.3073 PRESSURE: 1943000 -379.01 -83.3637 229.091 -83.3624 -180.029 -1.73688 229.091 -1.73715 -197.825 GPRESSURE: 1943000 -424.045 -13.7162 244.634 -109.311 -94.6705 -64.2555 34.1112 -97.3183 -149.195 PRESSAVG: 1943000 -19.8752 -24.3731 62.1793 -24.3731 25.8374 -15.4942 62.1793 -15.4942 -10.3677 GPRESSAVG: 1943000 -18.579 -26.5983 60.3334 -23.4465 25.0428 -13.6741 64.5677 -15.7834 -11.0997 TIMING: 1943000 CPU: 6127.94, 0.00313599/step Wall: 6127.94, 0.00313599/step, 2.66297 hours remaining, 239.835938 MB of memory in use. ENERGY: 1943000 4061.4961 20373.2382 14372.7153 236.1073 -203265.8754 2600.3373 0.0000 0.0000 52356.1011 -109265.8802 300.8912 -161621.9813 -108912.8027 299.4869 -252.2882 -222.6368 762413.6394 -1.4685 -1.5453 PRESSURE: 1943200 -130.627 -298.35 191.305 -298.351 21.1401 -6.7946 191.305 -6.79349 259.383 GPRESSURE: 1943200 -89.6384 -214.547 154.024 -186.991 93.5567 5.28862 -64.1197 -11.7649 230.09 PRESSAVG: 1943200 1.10076 3.32592 50.1774 3.3259 -32.2433 -43.2418 50.1774 -43.2418 -2.35678 GPRESSAVG: 1943200 -0.952162 4.47054 50.7271 3.78589 -30.1538 -46.1468 48.6589 -40.2703 -2.60609 TIMING: 1943200 CPU: 6128.57, 0.00314124/step Wall: 6128.57, 0.00314124/step, 2.66726 hours remaining, 239.835938 MB of memory in use. ENERGY: 1943200 3983.7170 20746.3417 14497.0007 248.1689 -203100.7457 2681.7961 0.0000 0.0000 51693.6343 -109250.0870 297.0840 -160943.7213 -108897.9469 299.7375 49.9652 78.0029 762116.6854 -11.1664 -11.2373 PRESSURE: 1943400 41.328 -80.5576 -178.704 -80.5572 -129.358 141.855 -178.704 141.857 -137.688 GPRESSURE: 1943400 73.643 -84.1879 -166.52 -192.176 -107.588 163.217 -105.743 138.371 -112.988 PRESSAVG: 1943400 10.5507 -42.8606 -20.9728 -42.8606 14.2546 -35.8598 -20.9728 -35.8597 5.90791 GPRESSAVG: 1943400 11.6214 -42.703 -20.6949 -42.2613 11.2968 -33.613 -21.169 -38.7964 7.47769 TIMING: 1943400 CPU: 6129.19, 0.00312434/step Wall: 6129.19, 0.00312434/step, 2.65274 hours remaining, 239.835938 MB of memory in use. ENERGY: 1943400 3926.7732 20621.2556 14408.4905 259.5086 -203017.7572 2339.5878 0.0000 0.0000 52098.6246 -109363.5169 299.4115 -161462.1415 -108992.3793 300.0414 -75.2392 -48.9778 761417.1459 10.2377 10.1320 PRESSURE: 1943600 306.722 4.59506 -182.138 4.59412 40.8644 39.6421 -182.137 39.642 106.976 GPRESSURE: 1943600 360.209 -24.3133 -133.464 147 16.8078 76.1011 -202.271 -34.2431 167.444 PRESSAVG: 1943600 -2.86205 -52.7089 -3.96696 -52.7089 -27.6018 20.3585 -3.96696 20.3585 25.6456 GPRESSAVG: 1943600 -3.66046 -53.0357 -4.4929 -51.7711 -26.882 20.6758 -4.14292 19.7371 25.5361 TIMING: 1943600 CPU: 6129.82, 0.00313096/step Wall: 6129.82, 0.00313096/step, 2.65819 hours remaining, 239.835938 MB of memory in use. ENERGY: 1943600 3978.0818 20526.7632 14346.3444 234.5494 -203256.5948 2564.1404 0.0000 0.0000 52150.3118 -109456.4039 299.7086 -161606.7157 -109098.0237 299.0596 151.5207 181.4868 760772.4940 -1.6061 -1.6688 PRESSURE: 1943800 85.5452 31.8536 46.3759 31.8534 -200.082 139.957 46.3771 139.957 -259.154 GPRESSURE: 1943800 132.926 65.8353 -11.2853 140.992 -166.446 89.7688 139.001 126.561 -228.923 PRESSAVG: 1943800 46.2717 13.1974 -18.3397 13.1974 -18.154 19.5395 -18.3396 19.5396 13.1394 GPRESSAVG: 1943800 47.9739 14.1006 -18.5221 11.1498 -19.0535 18.1083 -19.7387 20.8475 12.5505 TIMING: 1943800 CPU: 6130.45, 0.00314662/step Wall: 6130.45, 0.00314662/step, 2.6713 hours remaining, 239.835938 MB of memory in use. ENERGY: 1943800 4060.4121 20345.6940 14497.5886 246.6276 -203519.3915 2768.1681 0.0000 0.0000 52222.2510 -109378.6502 300.1220 -161600.9012 -109016.8140 299.2656 -124.5638 -87.4807 760100.0422 13.7524 13.8236 PRESSURE: 1944000 -223.978 21.0078 2.2177 21.0072 -148.4 -81.2716 2.21694 -81.2711 -172.423 GPRESSURE: 1944000 -136.642 -6.21702 63.2494 100.896 -149.218 -122.508 -53.0414 -10.6555 -145.941 PRESSAVG: 1944000 90.6185 -23.6838 46.3846 -23.6838 -24.9566 67.7137 46.3846 67.7137 11.2528 GPRESSAVG: 1944000 89.7714 -23.9208 46.8485 -23.4574 -24.8842 67.7873 47.1654 69.0294 11.5444 TIMING: 1944000 CPU: 6131.08, 0.00315533/step Wall: 6131.08, 0.00315532/step, 2.67852 hours remaining, 239.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1944000 4039.8006 20435.8378 14416.9122 244.8421 -203109.3814 2641.6772 0.0000 0.0000 52095.6423 -109234.6692 299.3944 -161330.3115 -108875.4590 299.7436 -181.6005 -143.9336 762063.7687 25.6382 25.4772 PRESSURE: 1944200 62.4396 -1.78593 198.282 -1.78704 -106.939 -62.641 198.282 -62.6411 106.114 GPRESSURE: 1944200 3.99928 -119.412 131.113 60.3047 37.372 81.5226 198.628 -43.5959 122.338 PRESSAVG: 1944200 -20.0607 -49.4365 17.0873 -49.4365 -58.9528 -2.74531 17.0873 -2.74539 -2.25542 GPRESSAVG: 1944200 -20.8462 -52.1153 17.7365 -47.799 -58.1064 -2.6209 18.617 -3.32821 -2.37287 TIMING: 1944200 CPU: 6131.71, 0.0031515/step Wall: 6131.71, 0.0031515/step, 2.6751 hours remaining, 239.835938 MB of memory in use. ENERGY: 1944200 4057.6575 20488.9567 14488.0459 265.1684 -203005.6858 2324.6779 0.0000 0.0000 52076.7624 -109304.4170 299.2859 -161381.1794 -108956.6176 299.5803 20.5380 54.5698 762088.8578 -27.0896 -27.1085 LDB: ============= START OF LOAD BALANCING ============== 6144.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6144.11 LDB: =============== DONE WITH MIGRATION ================ 6144.11 LDB: ============= START OF LOAD BALANCING ============== 6144.43 LDB: Largest compute 7034 load 0.031632 is 16.1% of average load 0.196012 LDB: Average compute 0.004400 is 2.2% of average load 0.196012 LDB: TIME 6144.43 LOAD: AVG 0.196012 MAX 0.215473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 6144.43 LOAD: AVG 0.196012 MAX 0.215473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 6144.43 LOAD: AVG 0.196012 MAX 0.215473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6144.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6144.44 PRESSURE: 1944400 -168.773 135.298 -124.593 135.298 25.3505 -136.126 -124.592 -136.127 128.144 GPRESSURE: 1944400 -180.53 297.54 -155.956 147.954 -3.4619 -168.494 -91.839 -113.974 227.713 PRESSAVG: 1944400 34.1605 -69.5792 -56.0772 -69.5792 -25.6035 6.07345 -56.0771 6.07336 20.4957 GPRESSAVG: 1944400 33.9387 -65.099 -56.0408 -72.5821 -25.8569 6.84679 -56.8336 7.4352 20.7824 TIMING: 1944400 CPU: 6132.35, 0.00321767/step Wall: 6132.35, 0.00321767/step, 2.73109 hours remaining, 237.839844 MB of memory in use. ENERGY: 1944400 3953.1677 20562.9767 14434.2298 250.2401 -203225.9689 2492.6332 0.0000 0.0000 52055.7903 -109476.9310 299.1653 -161532.7214 -109117.6637 299.4988 -5.0926 14.5734 762532.7543 9.6842 9.6214 PRESSURE: 1944600 41.2898 -174.753 -5.82201 -174.753 75.8134 -81.7413 -5.82213 -81.7415 -56.6638 GPRESSURE: 1944600 70.3526 -240.546 -34.1403 -144.819 26.1667 -161.753 -70.7918 -37.6857 42.8673 PRESSAVG: 1944600 17.3555 -26.5097 -92.4505 -26.5097 4.87766 -20.0359 -92.4505 -20.0359 11.145 GPRESSAVG: 1944600 17.6269 -29.7697 -92.8529 -24.0519 4.69893 -19.6069 -91.2064 -21.1919 11.0562 TIMING: 1944600 CPU: 6132.99, 0.00315668/step Wall: 6132.99, 0.00315669/step, 2.67915 hours remaining, 238.042969 MB of memory in use. ENERGY: 1944600 4017.7968 20519.6677 14470.3715 253.4384 -203036.7071 2462.2984 0.0000 0.0000 51987.1074 -109326.0269 298.7706 -161313.1343 -108967.8173 299.4840 20.1465 46.4622 761856.3870 11.1260 11.1273 PRESSURE: 1944800 -266.165 -41.9683 -165.71 -41.9689 -106.894 -72.6851 -165.711 -72.6846 -388.787 GPRESSURE: 1944800 -191.017 -64.7489 -82.0493 -71.0348 -134.983 -88.535 -227.115 -133.836 -371.064 PRESSAVG: 1944800 9.78225 -61.5427 -10.3433 -61.5427 12.1882 25.351 -10.3434 25.3511 -3.31741 GPRESSAVG: 1944800 10.6472 -60.0907 -10.0175 -62.5149 12.481 23.4323 -10.4762 25.7612 -4.54482 TIMING: 1944800 CPU: 6133.61, 0.0031429/step Wall: 6133.61, 0.0031429/step, 2.66727 hours remaining, 238.042969 MB of memory in use. ENERGY: 1944800 4011.6927 20475.5315 14377.7650 264.6100 -202879.0284 2352.6607 0.0000 0.0000 52051.4560 -109345.3125 299.1404 -161396.7684 -108986.0786 299.3865 -253.9490 -232.3545 761571.2465 6.2177 6.1945 PRESSURE: 1945000 -73.3506 -46.5011 249.834 -46.502 -65.0297 186.61 249.833 186.611 -194.288 GPRESSURE: 1945000 17.9758 -27.6801 178.814 -40.9177 -121.471 225.244 163.526 45.1182 -145.092 PRESSAVG: 1945000 24.603 -32.1861 -56.9937 -32.1861 -56.4559 2.65396 -56.9937 2.65389 7.87899 GPRESSAVG: 1945000 25.3566 -32.8865 -57.361 -31.5353 -57.5354 3.96093 -57.7884 2.55029 8.67085 TIMING: 1945000 CPU: 6134.24, 0.00312403/step Wall: 6134.24, 0.00312403/step, 2.65108 hours remaining, 238.042969 MB of memory in use. ENERGY: 1945000 3929.4873 20436.9188 14515.9927 262.0690 -202815.9934 2274.9841 0.0000 0.0000 51864.2055 -109532.3360 298.0643 -161396.5415 -109185.9371 298.4647 -110.8896 -82.8624 761280.7196 -7.9913 -7.8360 PRESSURE: 1945200 38.2804 -68.648 -235.791 -68.6475 -176.696 -165.866 -235.792 -165.867 -130.312 GPRESSURE: 1945200 30.0753 -28.9887 -199.727 79.9181 -66.6372 -312.237 -226.6 -27.7244 -104.528 PRESSAVG: 1945200 -2.47666 -39.846 -49.5029 -39.8459 -32.7847 -39.7769 -49.503 -39.7769 -6.74845 GPRESSAVG: 1945200 -4.11324 -39.4602 -47.8204 -42.1517 -31.2441 -41.1652 -50.5107 -40.5117 -7.04529 TIMING: 1945200 CPU: 6134.86, 0.00312659/step Wall: 6134.86, 0.00312659/step, 2.65309 hours remaining, 238.042969 MB of memory in use. ENERGY: 1945200 4041.3243 20370.8933 14481.9142 249.4021 -203109.8023 2601.1181 0.0000 0.0000 51802.1367 -109563.0136 297.7076 -161365.1503 -109212.1464 298.9615 -89.5758 -47.0299 760689.5058 -14.0033 -14.1342 PRESSURE: 1945400 154.167 27.9495 0.275623 27.9489 407.645 128.709 0.275789 128.708 66.6611 GPRESSURE: 1945400 239.502 -2.82759 -120.135 55.4505 358.085 211.404 139.999 167.631 124.954 PRESSAVG: 1945400 -2.83299 -15.1827 16.2411 -15.1826 15.5606 -32.7035 16.241 -32.7035 14.4177 GPRESSAVG: 1945400 -1.30484 -15.6489 14.841 -13.0348 14.9079 -30.7666 18.023 -31.8525 13.3605 TIMING: 1945400 CPU: 6135.49, 0.00313695/step Wall: 6135.49, 0.00313695/step, 2.6617 hours remaining, 238.042969 MB of memory in use. ENERGY: 1945400 3960.6513 20347.3583 14437.7205 251.3826 -203532.9095 2779.4970 0.0000 0.0000 52195.3785 -109560.9212 299.9676 -161756.2998 -109200.6677 298.9963 209.4912 240.8471 759719.7079 9.0484 8.9878 PRESSURE: 1945600 64.8508 -94.153 -138.754 -94.1531 -224.417 167.68 -138.753 167.68 -274.174 GPRESSURE: 1945600 19.3684 -105.767 -50.6984 0.438567 -121.153 232.078 -22.5595 98.4304 -257.112 PRESSAVG: 1945600 70.9115 18.6918 -25.2471 18.6918 -80.8302 -15.8047 -25.2471 -15.8048 -22.3591 GPRESSAVG: 1945600 70.4666 17.0832 -24.4029 18.4657 -81.8165 -18.5732 -26.0726 -13.9161 -21.4998 TIMING: 1945600 CPU: 6136.12, 0.00313293/step Wall: 6136.12, 0.00313293/step, 2.65812 hours remaining, 238.042969 MB of memory in use. ENERGY: 1945600 3968.9885 20521.4532 14377.6064 224.4398 -203560.0377 2753.6140 0.0000 0.0000 51918.0520 -109795.8839 298.3738 -161713.9359 -109449.8183 298.9930 -144.5800 -119.6320 762867.5381 -10.7592 -10.9499 PRESSURE: 1945800 -51.722 -1.27462 87.3623 -1.27557 -114.173 159.089 87.3622 159.09 -87.7969 GPRESSURE: 1945800 -40.2397 112.931 4.85861 -17.4113 -28.52 68.2052 99.5817 43.2722 -138.551 PRESSAVG: 1945800 61.5722 -10.3123 25.7928 -10.3123 -75.5627 6.87338 25.7928 6.87346 -23.6508 GPRESSAVG: 1945800 60.3404 -10.0896 24.5204 -9.00347 -74.553 7.8827 26.9904 6.578 -23.501 TIMING: 1945800 CPU: 6136.75, 0.00316129/step Wall: 6136.75, 0.00316129/step, 2.682 hours remaining, 238.042969 MB of memory in use. ENERGY: 1945800 4019.7800 20542.0287 14483.8455 248.3761 -203659.7925 2667.9138 0.0000 0.0000 51905.2065 -109792.6419 298.2999 -161697.8484 -109436.9499 298.3434 -84.5639 -69.1037 758831.1432 -12.5471 -12.5712 PRESSURE: 1946000 -328.159 -183.921 -109.39 -183.922 61.1668 27.2705 -109.389 27.27 72.0913 GPRESSURE: 1946000 -149.145 -138.215 -107.544 -133.768 -33.8105 -18.645 -69.3739 -106.572 58.9978 PRESSAVG: 1946000 63.5982 -77.4797 -23.9355 -77.4798 -82.6126 11.2412 -23.9355 11.2412 17.1802 GPRESSAVG: 1946000 63.8303 -77.0673 -22.3579 -79.7087 -82.8097 11.8378 -26.1548 8.04098 18.3415 TIMING: 1946000 CPU: 6137.38, 0.00316777/step Wall: 6137.38, 0.00316777/step, 2.68732 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1946000 3958.0624 20464.6156 14394.7331 242.7300 -203290.7606 2397.6139 0.0000 0.0000 52042.0142 -109790.9914 299.0862 -161833.0056 -109427.2144 298.5221 -64.9671 -41.3192 760579.3892 -0.6114 -0.2127 PRESSURE: 1946200 48.5422 -3.80175 231.27 -3.80203 -172.394 -47.246 231.27 -47.2461 -44.2962 GPRESSURE: 1946200 -0.185768 -67.1357 268.396 -34.8588 -104.995 -26.3988 290.405 75.8062 0.612865 PRESSAVG: 1946200 29.2938 -3.44147 38.5928 -3.44149 -33.9307 -34.7963 38.5928 -34.7964 11.1548 GPRESSAVG: 1946200 28.614 -4.08789 38.0409 -4.28522 -32.8529 -36.8521 38.6265 -32.7333 10.2428 TIMING: 1946200 CPU: 6138.01, 0.00312784/step Wall: 6138.01, 0.00312784/step, 2.65328 hours remaining, 238.042969 MB of memory in use. ENERGY: 1946200 3958.6902 20483.9541 14448.3829 238.1199 -203787.1730 2616.1629 0.0000 0.0000 52082.5824 -109959.2806 299.3193 -162041.8629 -109587.8601 298.7106 -56.0492 -34.8561 761251.1988 2.1726 2.0013 PRESSURE: 1946400 35.66 -12.5254 139.985 -12.5251 -262.058 -7.33661 139.985 -7.33645 151.793 GPRESSURE: 1946400 -9.63948 -80.0396 77.127 41.2986 -156.667 152.65 133.284 -100.621 188.739 PRESSAVG: 1946400 28.6425 -45.0578 92.9884 -45.0578 -24.6068 -32.7946 92.9884 -32.7946 -8.36192 GPRESSAVG: 1946400 30.1172 -45.7022 94.2807 -44.4881 -25.395 -31.3411 92.1661 -33.6044 -8.46041 TIMING: 1946400 CPU: 6138.63, 0.00312626/step Wall: 6138.63, 0.00312626/step, 2.65176 hours remaining, 238.042969 MB of memory in use. ENERGY: 1946400 3937.6591 20475.8334 14438.3078 246.8590 -203762.3795 2683.0392 0.0000 0.0000 51993.4296 -109987.2515 298.8070 -161980.6811 -109634.7242 298.1611 -24.8686 7.4776 760907.4637 -1.4421 -1.2461 PRESSURE: 1946600 61.7785 125.073 -15.7288 125.073 -151.267 -4.38533 -15.7296 -4.38544 -2.57863 GPRESSURE: 1946600 11.7077 105.456 -24.0488 180.357 -49.0188 -6.91921 51.7549 -47.2647 35.3433 PRESSAVG: 1946600 14.384 3.37025 14.1824 3.37021 -12.4849 2.63771 14.1824 2.63769 12.9124 GPRESSAVG: 1946600 14.5104 4.5836 12.8534 4.75927 -12.6747 2.45541 16.3134 1.4966 13.3352 TIMING: 1946600 CPU: 6139.26, 0.00314253/step Wall: 6139.26, 0.00314253/step, 2.66539 hours remaining, 238.042969 MB of memory in use. ENERGY: 1946600 3972.5872 20478.2588 14480.4591 254.3898 -203869.5975 2832.9485 0.0000 0.0000 51852.7143 -109998.2398 297.9983 -161850.9541 -109645.8911 297.7684 -30.6891 -0.6559 760319.2547 4.9372 5.0570 PRESSURE: 1946800 -128.187 -315.415 47.5968 -315.416 -37.2669 -38.379 47.5965 -38.3785 -314.631 GPRESSURE: 1946800 -97.7322 -264.03 64.8746 -263.762 -36.0496 -21.0722 144.335 31.1942 -262.643 PRESSAVG: 1946800 -17.4386 -27.0194 52.1261 -27.0194 0.972186 46.4692 52.1261 46.4693 -13.6427 GPRESSAVG: 1946800 -17.1082 -26.3816 50.6282 -25.5665 0.278979 45.5321 54.0621 47.7259 -12.8412 TIMING: 1946800 CPU: 6139.89, 0.00314766/step Wall: 6139.89, 0.00314766/step, 2.66957 hours remaining, 238.042969 MB of memory in use. ENERGY: 1946800 4022.7371 20464.1191 14489.5048 251.3585 -203196.5725 2328.2375 0.0000 0.0000 51526.4899 -110114.1255 296.1234 -161640.6154 -109753.0898 297.7881 -160.0281 -132.1417 760610.9139 -10.0364 -9.8901 PRESSURE: 1947000 -127.215 -74.2408 -5.81349 -74.2409 -63.1884 -65.1734 -5.814 -65.174 130.296 GPRESSURE: 1947000 -35.3879 -67.1545 68.0448 -49.0125 -6.8106 10.1285 -75.9631 -128.57 74.1154 PRESSAVG: 1947000 92.8408 -67.229 30.1891 -67.229 -33.4249 5.24283 30.1891 5.24278 -12.9938 GPRESSAVG: 1947000 92.943 -67.6432 33.736 -70.1955 -32.6621 5.92201 26.2665 4.38179 -13.8591 TIMING: 1947000 CPU: 6140.52, 0.00314142/step Wall: 6140.52, 0.00314142/step, 2.6641 hours remaining, 238.042969 MB of memory in use. ENERGY: 1947000 4005.9420 20532.0898 14459.6076 234.3907 -203834.1120 2593.3377 0.0000 0.0000 51632.4930 -110376.2512 296.7326 -162008.7443 -110027.6741 297.3056 -20.0360 10.6390 760861.2840 15.4741 15.4739 PRESSURE: 1947200 86.5225 -70.7591 -236.02 -70.759 4.88143 -207.529 -236.019 -207.529 -53.3415 GPRESSURE: 1947200 114.204 -50.3138 -255.671 -11.2501 -9.49087 -304.131 -234.116 -173.959 -6.62489 PRESSAVG: 1947200 22.8308 -10.0683 14.9413 -10.0682 41.4689 16.752 14.9413 16.7521 19.295 GPRESSAVG: 1947200 22.2705 -12.4794 12.8371 -8.89191 41.2493 16.2372 15.3467 16.8167 19.6358 TIMING: 1947200 CPU: 6141.15, 0.00313047/step Wall: 6141.15, 0.00313047/step, 2.65464 hours remaining, 238.042969 MB of memory in use. ENERGY: 1947200 4069.2712 20561.6559 14493.1806 252.6205 -203606.7401 2520.6995 0.0000 0.0000 51571.2439 -110138.0685 296.3806 -161709.3124 -109778.1796 297.0574 12.6875 32.6962 759917.3389 27.8649 27.7185 PRESSURE: 1947400 -157.127 -75.9967 237.019 -75.9964 171.538 16.241 237.02 16.2418 87.7932 GPRESSURE: 1947400 -217.744 -174.789 233.614 -6.55136 269.981 49.6262 213.194 -65.916 95.4492 PRESSAVG: 1947400 -43.4678 -59.8506 -1.00478 -59.8506 10.0777 -32.8569 -1.00481 -32.8569 5.43329 GPRESSAVG: 1947400 -45.1189 -58.0175 -1.55631 -59.3472 11.6364 -32.1333 -1.92116 -35.1378 5.55903 TIMING: 1947400 CPU: 6141.77, 0.00312521/step Wall: 6141.77, 0.00312521/step, 2.65 hours remaining, 238.042969 MB of memory in use. ENERGY: 1947400 3936.4281 20524.2669 14492.3588 247.2419 -203656.6602 2701.5000 0.0000 0.0000 51829.7280 -109925.1365 297.8662 -161754.8645 -109560.0174 297.7389 34.0679 49.2287 759040.5668 -9.3189 -9.3078 PRESSURE: 1947600 -326.518 -112.89 -47.9312 -112.889 -96.0952 129.193 -47.9312 129.193 326.103 GPRESSURE: 1947600 -269.55 -24.5716 -34.5288 -139.62 -34.2012 155.287 -120.425 168.931 272.212 PRESSAVG: 1947600 14.5872 -50.5619 7.22719 -50.5619 43.5372 5.08729 7.22716 5.08731 -5.82384 GPRESSAVG: 1947600 16.5578 -50.5694 8.65111 -50.5963 43.1689 5.04637 5.82164 5.49701 -8.10717 TIMING: 1947600 CPU: 6142.4, 0.00314948/step Wall: 6142.4, 0.00314948/step, 2.67041 hours remaining, 238.042969 MB of memory in use. ENERGY: 1947600 3957.5783 20326.6242 14496.4587 240.5587 -203189.8208 2471.4135 0.0000 0.0000 51799.1535 -109898.0338 297.6904 -161697.1873 -109536.7606 298.1854 -32.1701 -10.5129 761084.1924 17.4335 17.2065 PRESSURE: 1947800 -117.519 177.816 276.935 177.816 -110.514 -190.272 276.935 -190.273 -38.741 GPRESSURE: 1947800 -91.0311 178.975 303.386 138.241 -82.6463 -78.957 265.404 -282.631 11.252 PRESSAVG: 1947800 4.09945 -37.1408 43.664 -37.1408 -26.6142 -50.355 43.664 -50.3551 10.3206 GPRESSAVG: 1947800 3.36777 -36.003 41.1896 -38.2111 -26.9376 -50.3699 47.3064 -48.0245 11.6634 TIMING: 1947800 CPU: 6143.03, 0.00313756/step Wall: 6143.03, 0.00313756/step, 2.66013 hours remaining, 238.042969 MB of memory in use. ENERGY: 1947800 3931.1294 20574.2261 14423.5124 237.1072 -203543.6559 2624.8497 0.0000 0.0000 51819.6782 -109933.1528 297.8084 -161752.8310 -109557.1376 298.4373 -88.9246 -54.1418 761622.4578 -4.0647 -3.9688 PRESSURE: 1948000 -101.765 152.79 -66.3598 152.79 -126.186 -231.499 -66.3602 -231.499 -165.376 GPRESSURE: 1948000 -36.1877 211.333 16.7319 179.161 -61.8214 -220.794 -47.261 -217.946 -200.418 PRESSAVG: 1948000 -19.7265 9.01292 -2.26427 9.01292 18.9527 -78.3231 -2.26434 -78.3231 18.8379 GPRESSAVG: 1948000 -19.6784 4.74952 -1.22806 11.5804 17.8643 -78.9189 -3.33487 -77.0831 20.0766 TIMING: 1948000 CPU: 6143.66, 0.00314473/step Wall: 6143.66, 0.00314473/step, 2.66603 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1948000 3950.4684 20464.8186 14481.4341 243.5829 -203414.9357 2565.7475 0.0000 0.0000 51809.9650 -109898.9192 297.7526 -161708.8843 -109534.4637 299.0524 -131.1091 -99.4758 762055.2609 6.0214 6.0875 PRESSURE: 1948200 -258.334 63.4123 105.119 63.4127 -224.737 53.4983 105.12 53.4982 114.118 GPRESSURE: 1948200 -236.594 95.8233 64.5213 -4.90251 -185.975 -8.79593 184.851 7.90916 126.019 PRESSAVG: 1948200 0.930842 -13.9469 0.633735 -13.9468 0.0222963 -91.886 0.633773 -91.8861 16.3792 GPRESSAVG: 1948200 1.171 -9.53105 0.361024 -16.6384 0.858852 -92.5202 1.34914 -92.6122 14.8116 TIMING: 1948200 CPU: 6144.29, 0.00313697/step Wall: 6144.29, 0.00313697/step, 2.65928 hours remaining, 238.042969 MB of memory in use. ENERGY: 1948200 4039.7967 20523.7617 14506.9440 253.8480 -203716.2626 2623.4152 0.0000 0.0000 51983.6208 -109784.8762 298.7506 -161768.4970 -109432.2012 298.7482 -122.9844 -98.8503 761848.4483 5.7775 5.6138 LDB: ============= START OF LOAD BALANCING ============== 6156.68 LDB: ============== END OF LOAD BALANCING =============== 6156.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6156.68 LDB: ============= START OF LOAD BALANCING ============== 6157 LDB: Largest compute 7058 load 0.033232 is 17.0% of average load 0.196023 LDB: Average compute 0.004418 is 2.3% of average load 0.196023 LDB: TIME 6157 LOAD: AVG 0.196023 MAX 0.215041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 6157 LOAD: AVG 0.196023 MAX 0.215041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: TIME 6157 LOAD: AVG 0.196023 MAX 0.215041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: ============== END OF LOAD BALANCING =============== 6157 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6157.01 PRESSURE: 1948400 -58.8011 4.57028 27.5849 4.56978 14.0925 42.1906 27.585 42.1891 -22.8563 GPRESSURE: 1948400 42.7006 -125.647 39.8265 39.7963 -13.1651 -36.7289 -52.9637 -99.0794 -16.669 PRESSAVG: 1948400 -11.3402 15.9902 49.5618 15.9902 -53.6797 -15.3132 49.5618 -15.3131 -7.01084 GPRESSAVG: 1948400 -11.805 13.9881 47.7755 15.4722 -54.3759 -15.5067 52.0466 -15.2229 -5.63782 TIMING: 1948400 CPU: 6144.92, 0.00318844/step Wall: 6144.92, 0.00318844/step, 2.70274 hours remaining, 237.839844 MB of memory in use. ENERGY: 1948400 3956.5843 20465.0977 14486.9539 253.1123 -203813.0369 2745.7632 0.0000 0.0000 52118.4383 -109787.0873 299.5254 -161905.5255 -109431.1686 298.0647 -22.5216 4.2888 761057.8255 -24.0102 -23.9396 PRESSURE: 1948600 -63.4141 19.5083 -0.884615 19.5086 -321.924 -212.828 -0.884433 -212.829 537.824 GPRESSURE: 1948600 -50.5111 -63.7053 40.2241 -3.4485 -207.022 -221.641 21.2335 8.36696 498.046 PRESSAVG: 1948600 15.9734 -27.1497 -22.2622 -27.1496 -2.65921 0.818572 -22.2622 0.818574 -19.8935 GPRESSAVG: 1948600 15.8932 -27.8618 -21.0412 -25.8884 -2.5923 1.90445 -24.3699 -0.5022 -20.1691 TIMING: 1948600 CPU: 6145.55, 0.00311968/step Wall: 6145.55, 0.00311968/step, 2.64427 hours remaining, 238.042969 MB of memory in use. ENERGY: 1948600 3978.8800 20580.9860 14489.8502 256.0167 -203386.7755 2441.3709 0.0000 0.0000 52057.8512 -109581.8205 299.1772 -161639.6716 -109216.2221 298.6450 50.8288 80.1712 760569.2514 -2.1931 -2.2894 PRESSURE: 1948800 194.14 -347.263 126.909 -347.263 289.426 26.1729 126.908 26.172 -1.58677 GPRESSURE: 1948800 249.163 -222.032 119.944 -452.082 364.99 -15.4221 307.013 0.36792 -29.5678 PRESSAVG: 1948800 29.0236 -69.7651 33.2991 -69.765 -20.7349 -35.4395 33.299 -35.4394 14.9166 GPRESSAVG: 1948800 28.9507 -69.3702 33.6263 -71.8218 -20.1418 -35.4057 33.9489 -35.5092 13.6352 TIMING: 1948800 CPU: 6146.17, 0.00311718/step Wall: 6146.17, 0.00311718/step, 2.64198 hours remaining, 238.042969 MB of memory in use. ENERGY: 1948800 3974.3677 20452.9413 14477.0823 267.9773 -203565.3976 2625.6238 0.0000 0.0000 52482.6783 -109284.7268 301.6187 -161767.4051 -108921.3440 299.6924 160.6599 194.8616 759985.7608 7.7351 7.4814 PRESSURE: 1949000 534.987 -99.0429 294.751 -99.0427 196.172 179.229 294.75 179.228 -162.12 GPRESSURE: 1949000 505.46 -166.326 247.923 -194.516 167.541 60.7674 194.814 139.494 -5.62321 PRESSAVG: 1949000 2.986 -80.1737 -17.8792 -80.1737 -12.9897 6.64638 -17.8792 6.64648 20.8518 GPRESSAVG: 1949000 2.59707 -81.1119 -19.0941 -77.3129 -14.2778 6.03523 -21.4418 8.0167 22.0137 TIMING: 1949000 CPU: 6146.8, 0.00312338/step Wall: 6146.8, 0.00312338/step, 2.64706 hours remaining, 238.042969 MB of memory in use. ENERGY: 1949000 3955.2801 20497.7316 14478.4240 239.0064 -203736.5138 3131.2501 0.0000 0.0000 52149.6459 -109285.1756 299.7047 -161434.8215 -108914.5929 299.6452 189.6798 222.4592 760332.7536 3.6160 3.4443 PRESSURE: 1949200 159.948 -136.932 52.3262 -136.933 138.364 25.7476 52.3267 25.7464 -316.336 GPRESSURE: 1949200 169.17 -118.719 34.9743 -154.048 210.378 57.0399 16.0109 -10.6295 -318.788 PRESSAVG: 1949200 31.6013 -1.72864 -5.84965 -1.72861 -18.7559 36.0376 -5.84966 36.0375 4.78022 GPRESSAVG: 1949200 32.0999 -2.67027 -4.58625 -2.92788 -18.188 36.4238 -3.74554 35.3579 3.79945 TIMING: 1949200 CPU: 6147.42, 0.00313331/step Wall: 6147.42, 0.00313331/step, 2.65531 hours remaining, 238.042969 MB of memory in use. ENERGY: 1949200 4014.0960 20354.3043 14527.5086 250.6447 -203524.4005 2805.8055 0.0000 0.0000 52213.4561 -109358.5851 300.0715 -161572.0412 -108990.7569 299.8666 -6.0081 20.2535 762408.2504 5.8752 5.9038 PRESSURE: 1949400 -316.966 13.018 -143.018 13.0177 -313.731 -92.9189 -143.018 -92.9186 -167.709 GPRESSURE: 1949400 -272.023 0.819557 -108.268 -16.3246 -262.082 -143.725 -183.346 -103.685 -197.271 PRESSAVG: 1949400 38.0717 6.23719 34.8113 6.23718 -47.1992 -22.3035 34.8113 -22.3034 6.89812 GPRESSAVG: 1949400 38.0514 6.86532 33.7344 6.57492 -47.601 -22.0721 34.7672 -21.0413 7.65665 TIMING: 1949400 CPU: 6148.05, 0.00315089/step Wall: 6148.05, 0.00315089/step, 2.67003 hours remaining, 238.042969 MB of memory in use. ENERGY: 1949400 4047.6232 20427.1471 14474.3476 247.2781 -203246.3619 2616.3577 0.0000 0.0000 52244.4492 -109189.1590 300.2496 -161433.6082 -108816.5206 299.5739 -266.1357 -243.7917 763107.9051 -0.7431 -0.6310 PRESSURE: 1949600 231.31 -99.1665 29.6414 -99.1658 215.467 -236.478 29.6415 -236.478 -30.4524 GPRESSURE: 1949600 297.513 -136.495 -110.333 0.689618 134.114 -248.601 100.663 -233.547 69.9272 PRESSAVG: 1949600 42.8761 6.34665 30.4236 6.34666 -48.1495 -17.2223 30.4236 -17.2223 -8.05148 GPRESSAVG: 1949600 43.2506 8.4205 31.3211 5.13574 -49.1315 -18.1585 29.772 -18.2258 -7.88074 TIMING: 1949600 CPU: 6148.68, 0.00313382/step Wall: 6148.68, 0.00313381/step, 2.65539 hours remaining, 238.042969 MB of memory in use. ENERGY: 1949600 3970.7044 20672.1285 14470.4153 230.9431 -202912.5488 2221.3563 0.0000 0.0000 52125.3443 -109221.6569 299.5651 -161347.0012 -108868.7810 299.8668 138.7748 167.1848 761571.3768 -4.4416 -4.5872 PRESSURE: 1949800 133.896 -228.699 148.05 -228.699 182.202 184.771 148.049 184.771 195.561 GPRESSURE: 1949800 242.225 -71.4982 137.117 -137.738 219.582 109.103 219.338 4.74833 137.193 PRESSAVG: 1949800 36.9 -26.4218 22.8958 -26.4217 -16.7794 -38.0782 22.8958 -38.0783 26.958 GPRESSAVG: 1949800 36.5606 -28.06 22.2524 -26.7915 -15.5024 -36.8487 24.1545 -40.0505 26.5646 TIMING: 1949800 CPU: 6149.31, 0.00313189/step Wall: 6149.31, 0.00313189/step, 2.65358 hours remaining, 238.042969 MB of memory in use. ENERGY: 1949800 4005.9138 20694.3252 14451.4720 244.1895 -203654.4634 2752.8023 0.0000 0.0000 52266.4297 -109239.3310 300.3759 -161505.7607 -108878.8417 300.3181 170.5530 199.6666 759649.9138 15.6929 15.8743 PRESSURE: 1950000 -190.913 18.0591 -62.5957 18.0598 175.095 120.661 -62.5961 120.66 -257.572 GPRESSURE: 1950000 -76.9926 5.34017 31.8523 12.4323 151.281 163.665 -192.123 191.129 -272.649 PRESSAVG: 1950000 -9.4734 -21.2966 11.4666 -21.2966 -18.227 27.6613 11.4667 27.6613 -8.62244 GPRESSAVG: 1950000 -8.59541 -20.3518 11.47 -20.8049 -18.9995 26.8734 11.1659 30.9324 -8.46533 TIMING: 1950000 CPU: 6149.93, 0.00313459/step Wall: 6149.93, 0.00313459/step, 2.65569 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1950000 4002.6935 20544.2511 14453.1534 246.6379 -203106.9740 2356.6764 0.0000 0.0000 52343.2510 -109160.3109 300.8174 -161503.5618 -108795.5666 300.1131 -91.1302 -66.1200 762143.6368 -12.1076 -12.0201 PRESSURE: 1950200 -101.75 -149.981 30.1111 -149.981 -560.295 219.392 30.1113 219.393 -196.941 GPRESSURE: 1950200 -167.104 -70.1863 24.9282 -175.044 -477.175 182.694 -30.7158 286.099 -134.351 PRESSAVG: 1950200 14.1242 10.5752 33.4841 10.5751 15.4549 22.6548 33.4842 22.6548 8.48202 GPRESSAVG: 1950200 14.0323 10.7721 33.0753 12.0522 16.771 20.0937 34.2604 22.9455 7.17119 TIMING: 1950200 CPU: 6150.56, 0.00313769/step Wall: 6150.56, 0.00313769/step, 2.65815 hours remaining, 238.042969 MB of memory in use. ENERGY: 1950200 3987.8865 20654.4381 14557.3333 259.0419 -203460.8498 2465.2309 0.0000 0.0000 52244.2953 -109292.6239 300.2487 -161536.9192 -108930.6660 299.7763 -286.3286 -259.5435 759996.9314 12.6870 12.6582 PRESSURE: 1950400 5.64293 -10.716 -118.285 -10.7158 68.9885 -195.474 -118.286 -195.474 -622.055 GPRESSURE: 1950400 77.8643 74.8139 -126.029 48.6561 109.723 -139.94 -107.401 -261.622 -621.471 PRESSAVG: 1950400 -0.360358 -23.6637 26.1984 -23.6637 7.12025 -30.4719 26.1984 -30.4718 -2.91833 GPRESSAVG: 1950400 -0.591413 -25.3033 26.2436 -20.4075 7.09062 -27.9677 23.8826 -31.4811 -2.70412 TIMING: 1950400 CPU: 6151.18, 0.00312299/step Wall: 6151.18, 0.00312299/step, 2.64552 hours remaining, 238.042969 MB of memory in use. ENERGY: 1950400 4048.6729 20558.7240 14438.1932 257.4429 -203809.5203 3014.2684 0.0000 0.0000 52346.3496 -109145.8694 300.8352 -161492.2189 -108785.6778 300.2106 -182.4746 -144.6278 759986.8730 1.2805 1.2650 PRESSURE: 1950600 -376.672 -205.039 28.4195 -205.039 -419.264 35.5949 28.4188 35.5943 101.953 GPRESSURE: 1950600 -365.845 -223.638 -10.4152 -96.8679 -318.331 61.369 37.1851 42.5941 86.5314 PRESSAVG: 1950600 32.4865 -3.58731 -37.3122 -3.58725 -9.13404 -4.14782 -37.3122 -4.14781 -10.8205 GPRESSAVG: 1950600 32.1658 -3.23607 -37.447 -4.72186 -8.96073 -3.54878 -36.851 -5.4007 -10.803 TIMING: 1950600 CPU: 6151.81, 0.0031174/step Wall: 6151.81, 0.0031174/step, 2.64061 hours remaining, 238.042969 MB of memory in use. ENERGY: 1950600 4025.7581 20631.6541 14462.1274 234.7586 -203257.9864 2497.9755 0.0000 0.0000 52250.6730 -109155.0397 300.2853 -161405.7127 -108791.4065 300.5005 -231.3274 -199.2149 761501.1764 4.1773 4.1340 PRESSURE: 1950800 29.737 -151.057 -130.462 -151.057 -364.941 -86.8616 -130.463 -86.8622 -252.395 GPRESSURE: 1950800 121.297 -149.641 -107.81 -187.436 -333.965 -59.1199 -50.235 -204.889 -286.002 PRESSAVG: 1950800 12.5281 12.5511 -14.0764 12.5511 -3.0395 -6.65943 -14.0764 -6.65938 13.256 GPRESSAVG: 1950800 14.3 14.378 -13.7568 11.3823 -3.75928 -7.25377 -11.686 -4.97788 11.8126 TIMING: 1950800 CPU: 6152.43, 0.00311732/step Wall: 6152.43, 0.00311732/step, 2.64037 hours remaining, 238.042969 MB of memory in use. ENERGY: 1950800 3985.0629 20556.6799 14443.8730 265.4881 -203527.7421 2791.3454 0.0000 0.0000 52343.9281 -109141.3646 300.8213 -161485.2927 -108775.2362 300.3097 -195.8662 -166.2235 762056.9852 7.5815 7.4511 PRESSURE: 1951000 326.304 -139.579 43.5636 -139.579 70.1435 428.852 43.5636 428.851 -105.736 GPRESSURE: 1951000 394.49 -132.431 16.4088 -192.036 139.192 363.232 10.5174 313.679 -126.105 PRESSAVG: 1951000 35.6517 -31.3402 -19.159 -31.3402 -43.2749 24.8877 -19.159 24.8876 7.3587 GPRESSAVG: 1951000 33.7749 -30.2165 -19.8162 -33.301 -43.1248 25.9818 -22.3564 24.8719 8.24877 TIMING: 1951000 CPU: 6153.06, 0.00311925/step Wall: 6153.06, 0.00311924/step, 2.64183 hours remaining, 238.042969 MB of memory in use. ENERGY: 1951000 3956.4491 20672.5482 14465.7310 220.2358 -203407.8481 2790.1760 0.0000 0.0000 52231.5820 -109071.1260 300.1756 -161302.7079 -108703.1124 300.2568 96.9038 135.8588 761566.0027 -0.0882 -0.3670 PRESSURE: 1951200 110.114 91.5048 -53.4949 91.5046 -169.97 -98.4908 -53.4955 -98.4899 -28.5723 GPRESSURE: 1951200 52.4036 42.6256 -157.131 204.502 -85.5198 -158.033 -61.1628 -163.589 3.89922 PRESSAVG: 1951200 33.3171 -11.2114 9.63769 -11.2115 -40.1919 3.30201 9.63769 3.30204 31.49 GPRESSAVG: 1951200 33.6762 -12.9356 10.875 -9.8886 -40.0563 0.685438 9.32864 3.92889 31.204 TIMING: 1951200 CPU: 6153.68, 0.00312431/step Wall: 6153.68, 0.00312431/step, 2.64595 hours remaining, 238.042969 MB of memory in use. ENERGY: 1951200 4058.3978 20512.0896 14513.4804 260.4435 -203614.8920 2664.0649 0.0000 0.0000 52573.6192 -109032.7967 302.1413 -161606.4159 -108666.1002 300.0851 -29.4760 -9.7390 760257.6264 8.2050 8.2746 PRESSURE: 1951400 176.574 45.3506 -134.124 45.3505 -178.194 -37.6491 -134.124 -37.6482 107.834 GPRESSURE: 1951400 26.0813 77.0517 -77.2047 -41.7551 -24.0353 -86.8942 -98.6812 27.979 175.261 PRESSAVG: 1951400 0.202615 -58.3452 -20.2554 -58.3452 24.9644 -36.957 -20.2554 -36.9569 -8.44572 GPRESSAVG: 1951400 0.0767971 -56.8246 -19.5697 -61.2024 24.75 -37.3115 -19.338 -39.113 -8.1838 TIMING: 1951400 CPU: 6154.31, 0.00312603/step Wall: 6154.31, 0.00312603/step, 2.64723 hours remaining, 238.042969 MB of memory in use. ENERGY: 1951400 3974.4846 20764.2567 14453.4687 250.0088 -203426.0875 2632.2972 0.0000 0.0000 51972.9801 -109378.5916 298.6894 -161351.5717 -109013.6292 299.6786 35.4047 59.1023 759608.4166 5.5738 5.5477 PRESSURE: 1951600 -127.096 -183.246 156.104 -183.246 229.722 -434.152 156.104 -434.152 453.973 GPRESSURE: 1951600 -45.6278 -128.811 163.493 -215.351 225.428 -313.017 144.39 -352.236 449.035 PRESSAVG: 1951600 48.4096 -63.2888 -12.0519 -63.2888 -34.6955 21.7904 -12.0519 21.7904 -17.1438 GPRESSAVG: 1951600 48.8019 -62.3199 -13.1589 -62.0974 -34.1727 23.8011 -11.2222 23.5638 -17.8657 TIMING: 1951600 CPU: 6154.93, 0.00313025/step Wall: 6154.93, 0.00313025/step, 2.65063 hours remaining, 238.042969 MB of memory in use. ENERGY: 1951600 4060.5471 20489.9536 14398.3115 245.5148 -203692.6006 2856.4355 0.0000 0.0000 52353.6251 -109288.2131 300.8770 -161641.8382 -108917.8801 300.1538 185.5330 209.6116 761389.7858 -1.1432 -1.0788 PRESSURE: 1951800 173.964 181.848 -158.21 181.849 9.58266 -187.15 -158.211 -187.15 297.597 GPRESSURE: 1951800 317.604 34.5855 -176.447 260.073 6.51354 -145.975 -1.01396 -287.26 236.427 PRESSAVG: 1951800 12.0261 -43.1957 36.6575 -43.1957 -45.0728 -12.8562 36.6576 -12.8563 23.5702 GPRESSAVG: 1951800 11.9277 -43.626 37.6302 -40.0884 -46.6892 -13.0161 36.4305 -13.3104 24.6813 TIMING: 1951800 CPU: 6155.56, 0.00316002/step Wall: 6155.56, 0.00316002/step, 2.67566 hours remaining, 238.042969 MB of memory in use. ENERGY: 1951800 3987.9411 20445.6455 14384.0999 248.0564 -203477.1438 2848.5890 0.0000 0.0000 52113.3124 -109449.4996 299.4959 -161562.8120 -109089.0921 299.3340 160.3814 186.8482 761772.8495 -3.1588 -3.3600 PRESSURE: 1952000 234.893 80.1409 -24.1113 80.1403 -207.394 344.535 -24.1107 344.536 -93.8815 GPRESSURE: 1952000 202.268 81.1218 -69.6186 23.6772 -133.775 384.158 -118.961 242.619 -44.6003 PRESSAVG: 1952000 35.5283 -14.3074 5.60133 -14.3075 -15.8296 27.6633 5.60131 27.6633 -3.01532 GPRESSAVG: 1952000 35.2594 -13.5904 3.62071 -17.6666 -15.4719 27.5034 4.48654 26.6144 -3.80244 TIMING: 1952000 CPU: 6156.19, 0.00313273/step Wall: 6156.19, 0.00313273/step, 2.65237 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1952000 3994.1836 20364.6475 14421.8050 282.5765 -203104.2696 2484.7342 0.0000 0.0000 52247.7465 -109308.5762 300.2685 -161556.3227 -108947.6193 299.6434 -22.1275 7.9643 761997.8486 5.5611 5.3284 PRESSURE: 1952200 56.6468 -123.804 193.971 -123.804 -139.712 -160.167 193.971 -160.167 -189.409 GPRESSURE: 1952200 51.0323 -91.0496 146.251 -36.2437 -110.094 -137.557 278.634 -264.168 -134.633 PRESSAVG: 1952200 85.8166 -28.9645 4.10489 -28.9645 -30.6328 29.3776 4.10487 29.3778 6.70821 GPRESSAVG: 1952200 87.176 -30.7364 3.21608 -27.1797 -31.5521 28.0035 4.61886 30.3123 6.34039 TIMING: 1952200 CPU: 6156.82, 0.00313522/step Wall: 6156.82, 0.00313522/step, 2.65431 hours remaining, 238.042969 MB of memory in use. ENERGY: 1952200 3965.6778 20514.5613 14484.7816 240.0985 -203244.3386 2586.9123 0.0000 0.0000 52109.3971 -109342.9101 299.4734 -161452.3072 -108979.8546 299.7138 -90.8247 -64.5650 761396.1954 20.6307 20.6548 LDB: ============= START OF LOAD BALANCING ============== 6169.22 LDB: ============== END OF LOAD BALANCING =============== 6169.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6169.22 LDB: ============= START OF LOAD BALANCING ============== 6169.54 LDB: Largest compute 7034 load 0.032886 is 16.8% of average load 0.195985 LDB: Average compute 0.004398 is 2.2% of average load 0.195985 LDB: TIME 6169.54 LOAD: AVG 0.195985 MAX 0.218447 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 6169.54 LOAD: AVG 0.195985 MAX 0.218447 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: TIME 6169.54 LOAD: AVG 0.195985 MAX 0.218447 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: ============== END OF LOAD BALANCING =============== 6169.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6169.55 PRESSURE: 1952400 292.939 9.11676 145.373 9.11679 -71.2182 22.8872 145.373 22.8872 -9.38597 GPRESSURE: 1952400 336.104 -26.3288 172.03 -32.8832 -16.8111 19.7199 153.661 11.0344 -36.6626 PRESSAVG: 1952400 38.3834 -19.0713 -24.4333 -19.0714 -39.7734 16.6538 -24.4333 16.6539 24.4445 GPRESSAVG: 1952400 37.1459 -18.9829 -23.4926 -19.4932 -38.3722 17.924 -26.047 15.7685 24.3856 TIMING: 1952400 CPU: 6157.47, 0.00325023/step Wall: 6157.47, 0.00325023/step, 2.7515 hours remaining, 237.636719 MB of memory in use. ENERGY: 1952400 4025.2779 20359.2426 14375.2836 243.8437 -202754.0526 2311.0592 0.0000 0.0000 52115.5884 -109323.7571 299.5090 -161439.3455 -108960.5470 299.3122 70.7784 94.2100 759956.3039 7.6848 7.7197 PRESSURE: 1952600 366.349 250.803 39.9981 250.803 85.5954 82.6607 39.9989 82.6598 43.5151 GPRESSURE: 1952600 426.046 185.549 -68.5935 116.913 105.602 46.4077 5.62565 120.428 37.0995 PRESSAVG: 1952600 30.8109 0.487588 -2.58267 0.487618 -48.5761 30.2484 -2.58267 30.2484 -7.49689 GPRESSAVG: 1952600 30.8856 0.152715 -3.6441 0.35895 -49.0223 28.4909 -1.28665 30.6426 -6.501 TIMING: 1952600 CPU: 6158.1, 0.00318705/step Wall: 6158.1, 0.00318705/step, 2.69784 hours remaining, 237.636719 MB of memory in use. ENERGY: 1952600 3948.3416 20493.3058 14365.1289 245.0068 -203436.7816 2646.5496 0.0000 0.0000 52292.3362 -109446.1128 300.5248 -161738.4490 -109093.0688 299.4486 165.1533 189.5823 759629.7637 -8.4207 -8.2125 PRESSURE: 1952800 -93.2315 -168.819 -52.6181 -168.819 271.955 62.9774 -52.6175 62.9777 -43.9101 GPRESSURE: 1952800 25.9082 -135.616 -10.0725 -154.205 238.756 97.9769 -112.929 30.8413 -65.0207 PRESSAVG: 1952800 63.4642 -41.7285 -35.5839 -41.7285 29.2097 45.6793 -35.5839 45.6793 3.11979 GPRESSAVG: 1952800 63.7568 -42.3354 -33.605 -41.4763 28.642 46.5926 -36.7347 45.5888 3.2688 TIMING: 1952800 CPU: 6158.74, 0.00316818/step Wall: 6158.74, 0.00316818/step, 2.68169 hours remaining, 237.636719 MB of memory in use. ENERGY: 1952800 3997.5529 20559.6701 14415.1435 228.9157 -203534.4252 2828.6993 0.0000 0.0000 52103.0796 -109401.3642 299.4371 -161504.4438 -109044.7528 299.8389 44.9376 66.5479 760227.1976 31.9312 31.8892 PRESSURE: 1953000 -229.31 -22.4936 231.148 -22.493 -209.866 143.308 231.148 143.309 -103.265 GPRESSURE: 1953000 -171.577 -29.0972 299.076 -29.2345 -187.509 115.575 239.566 64.245 -95.7415 PRESSAVG: 1953000 11.0435 -14.6901 0.487309 -14.6902 -12.6221 -0.725253 0.487311 -0.72529 -2.65745 GPRESSAVG: 1953000 9.63468 -13.2226 -0.925712 -14.5663 -11.6098 0.34305 2.00837 -0.494031 -2.56929 TIMING: 1953000 CPU: 6159.36, 0.00312961/step Wall: 6159.36, 0.00312961/step, 2.64887 hours remaining, 237.636719 MB of memory in use. ENERGY: 1953000 4042.2166 20458.3372 14434.7034 243.8117 -203019.8990 2454.3819 0.0000 0.0000 52118.4775 -109267.9706 299.5256 -161386.4481 -108911.7759 299.5421 -180.8138 -151.6090 762274.3348 -1.4120 -1.5148 PRESSURE: 1953200 128.696 27.8148 110.682 27.8151 326.073 37.9151 110.682 37.9146 -66.3544 GPRESSURE: 1953200 190.27 -1.85668 32.7415 -41.0685 271.055 78.1979 210.53 -19.3305 24.4832 PRESSAVG: 1953200 1.66039 -31.1398 35.3211 -31.1398 -1.54359 9.29418 35.3211 9.29417 -13.2306 GPRESSAVG: 1953200 3.30636 -31.9589 36.7834 -31.014 -2.36341 8.55846 33.2602 8.07341 -13.6193 TIMING: 1953200 CPU: 6160, 0.00318682/step Wall: 6160, 0.00318682/step, 2.69711 hours remaining, 237.636719 MB of memory in use. ENERGY: 1953200 3985.4228 20396.5374 14427.5401 224.7925 -203449.7091 2700.6515 0.0000 0.0000 52277.4737 -109437.2912 300.4394 -161714.7649 -109080.0287 299.7739 129.4715 161.9358 760915.4743 -4.3712 -4.2254 PRESSURE: 1953400 258.24 -51.018 259.657 -51.0173 259.503 93.5201 259.659 93.5193 -197.908 GPRESSURE: 1953400 246.67 -101.69 213.315 -110.903 336.684 132.515 268.386 84.5663 -170.218 PRESSAVG: 1953400 44.3688 -19.6465 67.2023 -19.6466 -31.7494 34.2117 67.2023 34.2117 -9.08001 GPRESSAVG: 1953400 44.362 -18.1376 67.9191 -19.3131 -32.1445 33.5464 68.8151 36.4832 -9.17459 TIMING: 1953400 CPU: 6160.64, 0.00318736/step Wall: 6160.64, 0.00318736/step, 2.69739 hours remaining, 237.636719 MB of memory in use. ENERGY: 1953400 3950.2473 20395.9976 14384.3474 255.0387 -203398.5819 2636.6511 0.0000 0.0000 52246.0662 -109530.2336 300.2589 -161776.2998 -109163.5864 299.0244 106.6115 137.7120 760423.9423 1.1798 1.0143 PRESSURE: 1953600 247.856 -101.092 161.737 -101.092 -85.3533 -46.6345 161.737 -46.6343 383.986 GPRESSURE: 1953600 208.84 -25.514 110.345 -24.0002 92.8988 -134.358 -50.674 -98.0264 344.619 PRESSAVG: 1953600 75.0911 -13.0443 10.8975 -13.0442 -32.202 30.6165 10.8975 30.6165 1.41671 GPRESSAVG: 1953600 75.6741 -12.9693 8.01703 -13.5763 -31.1401 33.2049 10.2953 27.7025 -0.209608 TIMING: 1953600 CPU: 6161.27, 0.00315588/step Wall: 6161.27, 0.00315588/step, 2.67058 hours remaining, 237.636719 MB of memory in use. ENERGY: 1953600 4075.5924 20281.9278 14454.5879 256.0058 -203267.7100 2671.6860 0.0000 0.0000 52134.0792 -109393.8310 299.6153 -161527.9101 -109031.4340 299.3826 182.1630 215.4524 761896.9917 14.7686 14.7748 PRESSURE: 1953800 -7.32698 -2.62799 99.3289 -2.62814 -310.501 349.421 99.3295 349.419 -216.927 GPRESSURE: 1953800 27.5604 -0.172016 115.12 -111.433 -246.914 311.474 197.653 151.397 -243.107 PRESSAVG: 1953800 38.9316 10.9344 41.4217 10.9344 23.2563 32.358 41.4218 32.358 -16.6833 GPRESSAVG: 1953800 38.9527 8.017 43.2972 9.27872 22.2962 30.2132 40.5395 32.4299 -15.714 TIMING: 1953800 CPU: 6161.9, 0.00315831/step Wall: 6161.9, 0.00315831/step, 2.67246 hours remaining, 237.636719 MB of memory in use. ENERGY: 1953800 3952.6238 20514.4555 14412.1496 239.3045 -202854.5436 2330.0415 0.0000 0.0000 51911.4850 -109494.4837 298.3360 -161405.9688 -109131.7823 299.4559 -178.2515 -154.1535 762522.3342 15.1682 15.1783 PRESSURE: 1954000 -178.944 87.1051 -133.716 87.1055 243.728 -38.3429 -133.716 -38.3428 -266.343 GPRESSURE: 1954000 -80.1285 58.7598 -46.2765 -31.4758 283.943 -65.1906 -158.37 -104.744 -330.962 PRESSAVG: 1954000 -34.6879 -5.65554 -6.91295 -5.65551 33.5469 25.724 -6.91301 25.7241 -4.60711 GPRESSAVG: 1954000 -36.0576 -6.19441 -7.30146 -4.72962 34.8343 27.1128 -6.77556 22.9963 -4.37211 TIMING: 1954000 CPU: 6162.53, 0.00313158/step Wall: 6162.53, 0.00313158/step, 2.64966 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1954000 4027.4730 20591.1499 14466.0652 247.9472 -203398.9448 2552.8555 0.0000 0.0000 52073.8202 -109439.6338 299.2690 -161513.4540 -109076.2000 299.4519 -67.1866 -42.3825 760546.6576 -1.9160 -1.8651 PRESSURE: 1954200 -158.354 -84.6494 42.2655 -84.6492 -402.252 -212.3 42.2657 -212.302 -272.546 GPRESSURE: 1954200 -128.211 -15.8027 24.1069 -30.0647 -342.443 -191.52 34.8392 -179.32 -276.694 PRESSAVG: 1954200 -25.2519 -16.7465 61.9108 -16.7465 -7.06439 -14.4774 61.9108 -14.4774 28.1365 GPRESSAVG: 1954200 -25.1713 -14.7557 61.9448 -14.9725 -7.05244 -13.7061 62.7401 -11.9128 27.9565 TIMING: 1954200 CPU: 6163.15, 0.00313181/step Wall: 6163.15, 0.00313181/step, 2.64969 hours remaining, 237.636719 MB of memory in use. ENERGY: 1954200 3969.9884 20510.7901 14504.7830 243.2343 -202868.0951 2301.9783 0.0000 0.0000 51922.2725 -109415.0485 298.3980 -161337.3210 -109048.7448 299.0834 -277.7171 -249.1161 763085.5242 -1.3932 -1.4224 PRESSURE: 1954400 -102.214 -20.0791 12.4964 -20.0792 85.1902 -120.875 12.4958 -120.874 -78.9998 GPRESSURE: 1954400 -59.3388 -4.24867 122.181 -74.2171 166.901 -87.7541 21.5565 -187.708 -125.701 PRESSAVG: 1954400 -19.7818 -27.2804 25.316 -27.2804 12.3745 -9.88439 25.316 -9.88435 -0.215545 GPRESSAVG: 1954400 -18.2563 -25.9034 25.4144 -28.9098 11.3957 -11.2725 24.6124 -8.8962 -0.540655 TIMING: 1954400 CPU: 6163.78, 0.00311514/step Wall: 6163.78, 0.00311514/step, 2.6354 hours remaining, 237.636719 MB of memory in use. ENERGY: 1954400 3943.3103 20503.6653 14536.0278 249.0349 -203363.5801 2605.0545 0.0000 0.0000 52120.3011 -109406.1862 299.5361 -161526.4873 -109034.1745 299.0681 -32.0077 -6.0464 762018.3392 -2.5409 -2.4671 PRESSURE: 1954600 -178.294 113.228 34.0091 113.228 241.778 52.8631 34.0091 52.8626 197.567 GPRESSURE: 1954600 -72.4117 13.7466 30.0145 175.646 228.538 18.282 -64.4082 213.664 157.439 PRESSAVG: 1954600 54.947 -13.7284 5.1399 -13.7283 -75.5251 24.6735 5.13987 24.6735 -3.83702 GPRESSAVG: 1954600 55.1341 -17.3874 5.81412 -11.8091 -75.4528 24.7767 4.38168 24.7174 -4.31735 TIMING: 1954600 CPU: 6164.4, 0.00311247/step Wall: 6164.4, 0.00311247/step, 2.63298 hours remaining, 237.636719 MB of memory in use. ENERGY: 1954600 3967.7681 20551.1471 14423.9732 234.9781 -203221.4830 2760.3669 0.0000 0.0000 51799.3363 -109483.9132 297.6915 -161283.2495 -109128.7794 299.2791 87.0172 104.5218 763090.6883 -8.1384 -8.2120 PRESSURE: 1954800 -81.3447 -12.578 55.439 -12.5786 -314.451 -169.883 55.4394 -169.884 -96.6991 GPRESSURE: 1954800 -96.194 -78.2261 64.5026 -135.294 -123.189 -183.841 9.12619 -62.096 -164.098 PRESSAVG: 1954800 -26.2595 -27.4065 -12.4553 -27.4064 2.68825 58.567 -12.4553 58.567 1.41926 GPRESSAVG: 1954800 -26.9144 -24.5273 -13.0393 -30.3145 3.74851 57.6328 -12.6287 58.8897 1.34417 TIMING: 1954800 CPU: 6165.03, 0.00312735/step Wall: 6165.03, 0.00312735/step, 2.64539 hours remaining, 237.636719 MB of memory in use. ENERGY: 1954800 4054.3690 20389.8752 14522.1333 239.1886 -203228.0990 2518.3793 0.0000 0.0000 51949.8379 -109554.3157 298.5564 -161504.1537 -109195.5296 298.5509 -164.1649 -127.8269 761382.3535 -7.3840 -7.2739 PRESSURE: 1955000 3.40264 -157.473 199.091 -157.473 529.34 -111.204 199.091 -111.204 510.454 GPRESSURE: 1955000 42.8539 -167.302 181.223 -151.506 548.391 -48.1579 220.475 -191.325 522.038 PRESSAVG: 1955000 -1.06977 -29.4296 42.5873 -29.4296 0.872763 2.19147 42.5873 2.19142 -4.46594 GPRESSAVG: 1955000 -2.59502 -29.4192 42.5499 -27.7485 -0.0229375 4.16758 44.1054 0.292715 -2.56144 TIMING: 1955000 CPU: 6165.65, 0.00313277/step Wall: 6165.65, 0.00313277/step, 2.6498 hours remaining, 237.636719 MB of memory in use. ENERGY: 1955000 3977.4765 20429.3323 14370.8239 262.0935 -203490.4240 2630.9780 0.0000 0.0000 52076.2315 -109743.4883 299.2828 -161819.7198 -109383.1535 298.8383 347.7321 371.0942 760542.2631 -1.5543 -1.7265 PRESSURE: 1955200 -294.739 6.13065 -64.0412 6.13002 -181.586 30.3555 -64.0412 30.3564 224.979 GPRESSURE: 1955200 -218.449 -39.6206 -20.5603 -57.1439 -127.773 71.0777 -2.99929 5.33026 195.838 PRESSAVG: 1955200 -24.9159 -64.7557 -51.4108 -64.7557 -25.0223 8.00077 -51.4108 8.00071 -12.0171 GPRESSAVG: 1955200 -23.0566 -66.4606 -50.6108 -65.0988 -26.0335 7.55371 -51.0557 8.32849 -12.7188 TIMING: 1955200 CPU: 6166.28, 0.00313228/step Wall: 6166.28, 0.00313228/step, 2.64921 hours remaining, 237.636719 MB of memory in use. ENERGY: 1955200 3973.0346 20477.1577 14516.9953 236.4384 -203330.4646 2603.0011 0.0000 0.0000 51987.0979 -109536.7395 298.7706 -161523.8374 -109170.7072 298.7012 -83.7823 -50.1280 762958.8925 -20.6518 -20.6030 PRESSURE: 1955400 -90.6766 -2.63272 -95.3541 -2.63371 -121.213 -70.9144 -95.3546 -70.9148 -116.875 GPRESSURE: 1955400 -63.4949 53.3204 -3.76292 -1.99531 -77.1498 -26.0409 -105.318 -160.425 -104.1 PRESSAVG: 1955400 -4.40749 -83.2659 1.88674 -83.266 7.98419 -29.3219 1.88683 -29.3219 16.2402 GPRESSAVG: 1955400 -4.79309 -81.0765 2.37467 -82.0127 8.9953 -28.4601 1.36129 -28.6197 15.64 TIMING: 1955400 CPU: 6166.91, 0.0031488/step Wall: 6166.91, 0.0031488/step, 2.66301 hours remaining, 237.636719 MB of memory in use. ENERGY: 1955400 3966.3850 20466.0503 14449.2398 240.5053 -203353.4581 2672.8609 0.0000 0.0000 51958.8014 -109599.6155 298.6079 -161558.4169 -109243.1817 298.9743 -109.5880 -81.5814 761680.5281 6.6056 6.6141 PRESSURE: 1955600 -113.783 40.6008 178.475 40.6012 377.106 172.177 178.475 172.177 -128.645 GPRESSURE: 1955600 -8.86817 104.153 105.265 -69.4894 383.67 163.228 164.142 149.947 -163.424 PRESSAVG: 1955600 -25.8121 13.2629 17.6901 13.2629 60.852 6.21578 17.6901 6.21586 -19.0258 GPRESSAVG: 1955600 -24.2464 14.4287 16.527 10.1511 59.2032 6.2353 18.4549 3.99249 -19.3109 TIMING: 1955600 CPU: 6167.53, 0.00312811/step Wall: 6167.53, 0.00312811/step, 2.64534 hours remaining, 237.636719 MB of memory in use. ENERGY: 1955600 3992.8553 20441.2408 14432.8478 257.9815 -203273.0666 2565.7501 0.0000 0.0000 52041.2942 -109541.0970 299.0820 -161582.3912 -109174.7511 298.8573 44.8927 70.4591 760348.8728 5.3380 5.2153 PRESSURE: 1955800 -130.524 -319.545 170.807 -319.545 -3.20867 -44.8481 170.808 -44.8478 275.96 GPRESSURE: 1955800 -128.65 -347.404 268.343 -261.156 27.1284 -52.3222 80.0168 -79.9502 341.988 PRESSAVG: 1955800 -26.2772 -75.471 59.3096 -75.471 6.64104 19.6015 59.3097 19.6015 -9.74197 GPRESSAVG: 1955800 -28.2506 -77.4564 58.2705 -72.407 8.27291 18.2088 57.3685 21.2481 -8.8981 TIMING: 1955800 CPU: 6168.16, 0.00311841/step Wall: 6168.16, 0.00311841/step, 2.63696 hours remaining, 237.636719 MB of memory in use. ENERGY: 1955800 3974.1240 20501.1651 14378.6783 255.1923 -203181.0466 2569.0606 0.0000 0.0000 51957.9674 -109544.8590 298.6032 -161502.8263 -109187.8014 299.2455 47.4093 80.1556 761936.1081 -9.7927 -9.6253 PRESSURE: 1956000 -224.47 16.8584 261.929 16.8582 -120.418 -81.4922 261.929 -81.4923 149.724 GPRESSURE: 1956000 -331.303 -106.655 188.715 44.0755 31.6951 -17.254 277.064 -152.165 181.744 PRESSAVG: 1956000 -10.6514 -63.3382 12.8202 -63.3382 -3.68051 13.2254 12.8202 13.2255 -33.0885 GPRESSAVG: 1956000 -9.78328 -62.953 14.9733 -64.0705 -2.63538 13.7289 9.89112 14.6212 -34.3485 TIMING: 1956000 CPU: 6168.78, 0.00311651/step Wall: 6168.78, 0.00311651/step, 2.63518 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1956000 3978.8118 20545.9090 14481.2644 237.2120 -202981.9106 2302.6426 0.0000 0.0000 51894.8441 -109541.2266 298.2404 -161436.0707 -109180.6203 299.1448 -65.0550 -39.2881 761835.6366 -15.8068 -15.5891 PRESSURE: 1956200 -42.9057 -227.821 335.913 -227.821 -69.341 -184.946 335.913 -184.947 104.194 GPRESSURE: 1956200 -15.0398 -215.179 417.5 -166.053 -73.1108 -217.645 172.981 -94.2769 158.191 PRESSAVG: 1956200 -27.9213 -43.9158 -15.6332 -43.9159 4.16322 -40.9213 -15.6332 -40.9213 8.98369 GPRESSAVG: 1956200 -27.8332 -43.8097 -16.8492 -43.0055 3.06325 -40.3502 -13.6815 -41.3892 10.4065 TIMING: 1956200 CPU: 6169.41, 0.00312793/step Wall: 6169.41, 0.00312793/step, 2.64466 hours remaining, 237.894531 MB of memory in use. ENERGY: 1956200 3963.0290 20358.2191 14474.5753 244.7662 -203200.0754 2458.1043 0.0000 0.0000 51986.9151 -109714.4664 298.7695 -161701.3814 -109354.5761 298.6758 -2.6841 23.3466 762531.6122 -4.9248 -4.7878 LDB: ============= START OF LOAD BALANCING ============== 6181.8 LDB: ============== END OF LOAD BALANCING =============== 6181.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6181.81 LDB: ============= START OF LOAD BALANCING ============== 6182.12 LDB: Largest compute 7049 load 0.031602 is 16.1% of average load 0.195971 LDB: Average compute 0.004406 is 2.2% of average load 0.195971 LDB: TIME 6182.13 LOAD: AVG 0.195971 MAX 0.217042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.109 MB LDB: TIME 6182.13 LOAD: AVG 0.195971 MAX 0.217042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.312 MB LDB: TIME 6182.13 LOAD: AVG 0.195971 MAX 0.217042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.312 MB LDB: ============== END OF LOAD BALANCING =============== 6182.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6182.13 PRESSURE: 1956400 -126.99 63.7419 179.415 63.7419 107.561 59.5844 179.416 59.5842 259.872 GPRESSURE: 1956400 -30.0894 -62.8213 185.681 109.238 118.595 -33.5802 238.67 81.6572 230.637 PRESSAVG: 1956400 42.4039 -58.7672 10.6221 -58.7673 0.240196 23.9511 10.622 23.9511 -7.07712 GPRESSAVG: 1956400 43.5697 -59.6404 12.006 -59.3618 0.104737 24.1627 13.5134 21.8928 -7.55577 TIMING: 1956400 CPU: 6170.05, 0.00321582/step Wall: 6170.05, 0.00321582/step, 2.71879 hours remaining, 238.351562 MB of memory in use. ENERGY: 1956400 3960.7165 20399.6939 14367.9187 241.9349 -203566.6468 2973.7866 0.0000 0.0000 52161.6807 -109460.9155 299.7739 -161622.5962 -109092.3305 298.8914 80.1475 106.3806 760925.4834 11.8557 12.0395 PRESSURE: 1956600 -75.6315 -89.7363 132.986 -89.735 -97.8326 25.9273 132.987 25.9274 -432.462 GPRESSURE: 1956600 -40.261 -199.956 88.7026 50.2915 -44.6329 -7.69986 135.321 44.0248 -450.804 PRESSAVG: 1956600 42.6406 -26.333 64.2946 -26.333 41.2294 53.5814 64.2946 53.5814 5.80604 GPRESSAVG: 1956600 43.0781 -27.133 63.044 -26.1005 41.1127 51.9661 64.3236 54.2688 5.88437 TIMING: 1956600 CPU: 6170.68, 0.00313593/step Wall: 6170.68, 0.00313593/step, 2.65108 hours remaining, 238.554688 MB of memory in use. ENERGY: 1956600 3961.4411 20442.0727 14379.1693 229.3057 -203350.1996 2674.8966 0.0000 0.0000 52268.0748 -109395.2393 300.3853 -161663.3141 -109036.2264 298.8809 -201.9753 -178.5661 762450.9097 29.8920 30.0251 PRESSURE: 1956800 -359.429 -185.806 -109.14 -185.805 -206.629 -105.134 -109.14 -105.133 -606.029 GPRESSURE: 1956800 -268.399 -104.625 -134.902 -291.791 -120.229 -164.42 -145.076 31.1366 -689.933 PRESSAVG: 1956800 31.2446 -73.341 18.4418 -73.341 -31.3889 10.1568 18.4419 10.1568 17.2906 GPRESSAVG: 1956800 30.6397 -70.6319 18.6957 -73.8061 -31.7209 10.8106 16.9476 13.1097 18.3465 TIMING: 1956800 CPU: 6171.31, 0.00314707/step Wall: 6171.31, 0.00314707/step, 2.66032 hours remaining, 238.554688 MB of memory in use. ENERGY: 1956800 4003.5952 20547.4885 14411.3335 236.0622 -202983.4707 2365.3185 0.0000 0.0000 51942.0199 -109477.6531 298.5115 -161419.6729 -109118.8676 298.9096 -390.6957 -359.5207 762635.1304 5.7154 5.7551 PRESSURE: 1957000 -134.422 -58.7243 -204.559 -58.7247 -364.372 79.3806 -204.558 79.382 -435.059 GPRESSURE: 1957000 -84.6047 3.5474 -215.056 -82.6178 -393.333 148.616 -186.71 -73.767 -381.897 PRESSAVG: 1957000 3.13955 2.78961 2.94983 2.7896 40.1722 50.2218 2.94989 50.2219 -11.2918 GPRESSAVG: 1957000 3.81023 2.58221 2.18377 3.14729 40.4466 51.0427 3.09288 47.2079 -12.1598 TIMING: 1957000 CPU: 6171.93, 0.00313714/step Wall: 6171.93, 0.00313714/step, 2.65176 hours remaining, 238.554688 MB of memory in use. ENERGY: 1957000 3952.5722 20537.7227 14431.2078 241.2920 -202876.0412 2286.5931 0.0000 0.0000 52035.8606 -109390.7927 299.0508 -161426.6534 -109028.3618 298.8047 -311.2841 -286.6116 762191.9287 10.6733 10.6990 PRESSURE: 1957200 -225.757 68.5882 183.15 68.5887 -132.137 43.531 183.151 43.5315 339.47 GPRESSURE: 1957200 -139.666 -35.3962 146.833 1.74034 -140.418 40.5443 164.992 3.41852 337.802 PRESSAVG: 1957200 -12.3154 -69.4644 37.5336 -69.4644 -43.4895 -24.5318 37.5336 -24.5318 3.17904 GPRESSAVG: 1957200 -12.5145 -71.7543 36.3894 -68.2946 -43.2936 -25.4154 39.8117 -23.3914 3.36289 TIMING: 1957200 CPU: 6172.56, 0.00312373/step Wall: 6172.56, 0.00312373/step, 2.64025 hours remaining, 238.554688 MB of memory in use. ENERGY: 1957200 4017.0540 20604.5480 14470.3010 252.8036 -203035.6967 2331.7341 0.0000 0.0000 52155.7993 -109203.4568 299.7401 -161359.2561 -108844.1355 299.3268 -6.1413 19.2394 761289.7245 -17.5419 -17.4817 PRESSURE: 1957400 -216.452 155.45 8.18471 155.45 -38.2235 -21.3962 8.18492 -21.396 400.33 GPRESSURE: 1957400 -170.625 88.0405 12.4531 148.81 34.2744 -21.7264 -63.2852 -65.4948 379.06 PRESSAVG: 1957400 47.1813 -11.7341 13.6487 -11.7341 -18.8328 22.1142 13.6487 22.1143 5.79467 GPRESSAVG: 1957400 46.0779 -8.70205 14.0929 -14.2547 -17.9146 22.6396 10.3166 20.5016 5.81583 TIMING: 1957400 CPU: 6173.18, 0.00312945/step Wall: 6173.18, 0.00312946/step, 2.64491 hours remaining, 238.554688 MB of memory in use. ENERGY: 1957400 4057.9741 20450.4316 14485.1928 238.2000 -202820.3696 2205.3912 0.0000 0.0000 52185.6712 -109197.5086 299.9118 -161383.1798 -108825.0508 299.7200 48.5517 80.9032 762395.7684 11.3811 11.3264 PRESSURE: 1957600 385.201 33.5923 -177.778 33.5914 192.027 79.5367 -177.779 79.5383 597.806 GPRESSURE: 1957600 479.702 35.0459 -119.719 -24.4352 129.623 98.3206 -202.464 119.32 644.296 PRESSAVG: 1957600 25.2779 56.1187 51.691 56.1187 -29.6674 116.127 51.6911 116.127 6.42802 GPRESSAVG: 1957600 26.6759 55.707 53.0716 56.9622 -30.8103 114.813 53.7102 117.431 6.06592 TIMING: 1957600 CPU: 6173.81, 0.00314648/step Wall: 6173.81, 0.00314648/step, 2.65912 hours remaining, 238.554688 MB of memory in use. ENERGY: 1957600 3926.9734 20634.5911 14496.3000 259.2532 -203420.1735 2884.4526 0.0000 0.0000 51892.5050 -109326.0981 298.2269 -161218.6031 -108959.4094 299.3059 391.6780 417.8736 761363.0092 0.6795 0.6438 PRESSURE: 1957800 -33.3686 -54.5936 92.0645 -54.5937 -1.76521 -53.1802 92.0636 -53.1798 -10.4402 GPRESSURE: 1957800 72.2567 -27.0117 160.674 -142.479 -30.2395 -50.9803 134.79 -143.257 -10.4543 PRESSAVG: 1957800 -36.6505 -40.6936 21.8525 -40.6936 16.3563 -12.8923 21.8525 -12.8922 -1.43897 GPRESSAVG: 1957800 -37.4019 -42.5034 22.728 -40.5253 16.5633 -13.2448 22.2943 -11.3598 -0.960681 TIMING: 1957800 CPU: 6174.44, 0.00315196/step Wall: 6174.44, 0.00315196/step, 2.66358 hours remaining, 238.554688 MB of memory in use. ENERGY: 1957800 3954.3694 20532.4386 14401.2441 257.3934 -202689.3905 2341.1769 0.0000 0.0000 52135.7898 -109066.9785 299.6251 -161202.7683 -108723.7763 299.8404 -15.1914 10.5210 762211.9048 -7.2444 -7.2664 PRESSURE: 1958000 -141.687 -21.6687 87.7697 -21.6685 -136.58 -44.6135 87.77 -44.6144 114.223 GPRESSURE: 1958000 -93.1168 8.25328 137.952 61.5037 -47.0253 10.281 -23.3931 -64.3445 74.3834 PRESSAVG: 1958000 34.7764 8.26634 -61.3104 8.26637 -37.0793 15.903 -61.3104 15.9029 22.3169 GPRESSAVG: 1958000 34.9781 11.5815 -61.7004 9.34063 -37.5396 19.5283 -63.5185 14.0845 21.6687 TIMING: 1958000 CPU: 6175.08, 0.00316916/step Wall: 6175.08, 0.00316916/step, 2.67794 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1958000 3994.2018 20486.5638 14438.7497 239.3439 -203443.7781 2748.1267 0.0000 0.0000 52270.9159 -109265.8763 300.4017 -161536.7922 -108906.9109 299.9278 -54.6813 -21.9196 761199.9398 6.6713 6.3690 PRESSURE: 1958200 -310.645 45.4386 -145.152 45.4391 -267.331 65.8903 -145.152 65.89 -267.683 GPRESSURE: 1958200 -215.775 0.101825 -268.883 63.429 -267.442 13.6263 -112.464 40.7911 -279.361 PRESSAVG: 1958200 28.6109 -17.206 -16.6808 -17.2059 -34.4925 1.30831 -16.6808 1.30836 -18.3569 GPRESSAVG: 1958200 28.3717 -17.5659 -18.1097 -18.1844 -34.9422 -0.225467 -14.3712 1.67602 -17.8536 TIMING: 1958200 CPU: 6175.72, 0.00320985/step Wall: 6175.72, 0.00320985/step, 2.71214 hours remaining, 238.554688 MB of memory in use. ENERGY: 1958200 3964.1124 20722.1733 14414.6288 260.0217 -203029.1691 2353.0520 0.0000 0.0000 51957.4127 -109357.7683 298.6000 -161315.1810 -109004.4516 299.3825 -281.8866 -254.1925 761487.0077 -8.0795 -8.1414 PRESSURE: 1958400 -107.655 -41.022 -198.74 -41.022 96.233 29.33 -198.74 29.3305 330.342 GPRESSURE: 1958400 -17.3709 -96.9072 -219.4 -136.53 136.723 69.1821 -209.009 -10.7496 304.546 PRESSAVG: 1958400 0.657042 -3.88361 -24.3262 -3.88363 4.10666 13.7142 -24.3262 13.7142 -1.88337 GPRESSAVG: 1958400 1.89165 -5.96405 -24.2705 -3.14895 4.551 11.2676 -25.5999 13.6668 -3.11149 TIMING: 1958400 CPU: 6176.36, 0.00322358/step Wall: 6176.36, 0.00322358/step, 2.72357 hours remaining, 238.554688 MB of memory in use. ENERGY: 1958400 3898.6856 20407.1925 14431.1518 248.9695 -203048.4391 2476.8857 0.0000 0.0000 52221.9428 -109363.6112 300.1202 -161585.5540 -108995.3869 299.2124 106.3067 141.2994 760414.9202 0.9601 1.1104 PRESSURE: 1958600 65.9049 60.63 100.017 60.63 30.3647 33.3596 100.017 33.3596 -3.80661 GPRESSURE: 1958600 102.178 3.81095 44.1848 125.105 106.86 -20.7034 122.762 158.765 -32.3535 PRESSAVG: 1958600 53.5762 19.6453 -14.7582 19.6453 -30.5518 6.37254 -14.7582 6.37261 0.925228 GPRESSAVG: 1958600 52.5258 20.0623 -15.3193 19.8437 -29.3124 7.86129 -14.6176 5.16109 0.682901 TIMING: 1958600 CPU: 6177, 0.00318317/step Wall: 6177, 0.00318317/step, 2.68924 hours remaining, 238.554688 MB of memory in use. ENERGY: 1958600 3971.0368 20573.1091 14388.3845 241.2032 -203163.2536 2542.5123 0.0000 0.0000 52182.1062 -109264.9016 299.8913 -161447.0078 -108901.7837 299.7604 30.8210 58.8948 762848.7192 7.9832 7.9654 PRESSURE: 1958800 98.2608 -24.8389 -68.5504 -24.8387 299.107 -161.626 -68.5501 -161.627 100.256 GPRESSURE: 1958800 61.4733 -63.5129 -2.85642 -115.613 336.759 -77.8028 -101.755 -252.8 164.242 PRESSAVG: 1958800 66.9548 -36.9043 -33.7243 -36.9043 -1.89592 -23.1098 -33.7243 -23.1098 -10.8773 GPRESSAVG: 1958800 65.6132 -37.432 -31.4624 -36.796 -3.19814 -22.826 -35.0344 -22.231 -8.50057 TIMING: 1958800 CPU: 6177.64, 0.00316962/step Wall: 6177.64, 0.00316962/step, 2.67762 hours remaining, 238.554688 MB of memory in use. ENERGY: 1958800 4008.4781 20581.0002 14450.1219 252.2078 -203450.9386 2710.8396 0.0000 0.0000 52140.4428 -109307.8480 299.6518 -161448.2909 -108943.5862 299.5411 165.8746 187.4914 761451.5034 18.0605 17.9715 PRESSURE: 1959000 -166.068 73.9244 120.425 73.9239 -373.308 -68.7955 120.425 -68.7959 -255.843 GPRESSURE: 1959000 23.1484 111.315 149.851 182.689 -384.55 -42.1409 56.0822 -29.5587 -332.458 PRESSAVG: 1959000 68.2332 44.646 -0.755812 44.646 -54.2555 -8.3935 -0.755855 -8.39345 16.6315 GPRESSAVG: 1959000 68.5001 44.8585 -2.52042 44.1357 -53.9218 -9.06136 -1.48693 -6.38574 15.9268 TIMING: 1959000 CPU: 6178.27, 0.00318253/step Wall: 6178.27, 0.00318253/step, 2.68835 hours remaining, 238.554688 MB of memory in use. ENERGY: 1959000 3996.2827 20627.3386 14423.9971 262.4091 -202683.2960 2298.4617 0.0000 0.0000 51863.7917 -109211.0151 298.0619 -161074.8068 -108852.0535 299.8704 -265.0732 -231.2865 763179.2695 10.2031 10.1684 PRESSURE: 1959200 -233.843 -46.7562 97.0423 -46.7557 -156.57 215.767 97.0423 215.767 -32.0635 GPRESSURE: 1959200 -160.352 -132.377 94.5299 -23.3542 -168.917 153.373 46.1636 167.253 -6.22459 PRESSAVG: 1959200 38.3179 -49.2821 -25.0803 -49.2821 -36.9306 4.82454 -25.0804 4.82455 25.3882 GPRESSAVG: 1959200 38.8719 -49.3316 -25.076 -47.8506 -36.1423 4.25362 -22.5319 4.51416 24.2705 TIMING: 1959200 CPU: 6178.91, 0.00319155/step Wall: 6178.91, 0.00319155/step, 2.6958 hours remaining, 238.554688 MB of memory in use. ENERGY: 1959200 3988.2061 20452.9263 14420.8229 229.2470 -202996.3767 2368.4741 0.0000 0.0000 52377.2722 -109159.4281 301.0129 -161536.7003 -108789.4226 299.8871 -140.8256 -111.8312 761588.0670 8.9252 9.0000 PRESSURE: 1959400 120.61 146.031 146.398 146.031 245.365 98.1014 146.397 98.1004 112.307 GPRESSURE: 1959400 93.61 285.721 27.8095 152.622 229.701 169.321 152.313 142.307 221.887 PRESSAVG: 1959400 15.8562 -8.56456 -27.2687 -8.56465 -82.4772 -16.8139 -27.2686 -16.8138 -26.0165 GPRESSAVG: 1959400 15.535 -8.00987 -28.7719 -9.62449 -83.7938 -16.3107 -28.4895 -19.6451 -24.3731 TIMING: 1959400 CPU: 6179.54, 0.00314455/step Wall: 6179.54, 0.00314455/step, 2.65592 hours remaining, 238.554688 MB of memory in use. ENERGY: 1959400 3919.9917 20626.1469 14366.4525 240.9327 -203017.5058 2561.9831 0.0000 0.0000 52079.2291 -109222.7698 299.3000 -161301.9989 -108855.5751 299.8576 159.4273 181.7327 761631.2827 -30.8791 -30.8773 PRESSURE: 1959600 -24.9213 -102.418 -81.5453 -102.418 -127.164 255.026 -81.5451 255.026 174.027 GPRESSURE: 1959600 4.95617 -57.9154 8.81599 -35.8696 -69.2906 243.633 -1.20835 199.716 158.652 PRESSAVG: 1959600 13.7289 1.48293 48.34 1.48293 -11.7645 -1.61745 48.34 -1.61747 17.5389 GPRESSAVG: 1959600 12.8977 1.05141 48.3103 0.669416 -10.894 -0.867623 49.804 -1.56745 17.3227 TIMING: 1959600 CPU: 6180.17, 0.00317965/step Wall: 6180.17, 0.00317965/step, 2.68539 hours remaining, 238.554688 MB of memory in use. ENERGY: 1959600 4037.2823 20613.7191 14417.3778 254.8914 -203564.4761 2721.4957 0.0000 0.0000 52276.7851 -109242.9246 300.4354 -161519.7097 -108875.7207 300.0253 7.3139 31.4392 760767.9646 6.5011 6.4422 PRESSURE: 1959800 74.2608 -179.856 -35.7569 -179.857 -148.49 -281.78 -35.7566 -281.781 315.08 GPRESSURE: 1959800 162.287 -198.157 -52.0941 -66.0647 -149.796 -254.9 -31.7813 -340.604 323.9 PRESSAVG: 1959800 8.99066 -26.9275 31.9997 -26.9275 36.2354 28.6417 31.9997 28.6417 7.72292 GPRESSAVG: 1959800 10.0027 -27.8509 33.411 -24.2048 34.4502 28.6206 31.4551 30.7003 8.94498 TIMING: 1959800 CPU: 6180.8, 0.00314505/step Wall: 6180.8, 0.00314505/step, 2.656 hours remaining, 238.554688 MB of memory in use. ENERGY: 1959800 3918.4510 20616.3393 14458.2256 249.2928 -202779.0057 2289.8221 0.0000 0.0000 52193.0813 -109053.7936 299.9544 -161246.8749 -108695.8116 300.8473 80.2837 112.1302 761989.1272 17.6497 17.7993 PRESSURE: 1960000 -197.97 -80.0908 -158.847 -80.0901 -56.5444 -76.4457 -158.847 -76.4445 -71.4692 GPRESSURE: 1960000 -182.642 0.261261 -77.4063 11.9425 -9.21436 -91.9297 -80.0077 53.8529 -22.6963 PRESSAVG: 1960000 -9.33352 -17.7522 -26.3995 -17.7521 18.6691 12.3089 -26.3994 12.309 6.62993 GPRESSAVG: 1960000 -10.2774 -16.9297 -26.2176 -18.4998 20.5772 10.1754 -25.8916 11.9835 5.92791 TIMING: 1960000 CPU: 6181.44, 0.00316553/step Wall: 6181.44, 0.00316553/step, 2.67311 hours remaining, 238.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1960000 4008.8539 20537.0640 14418.6361 241.7042 -203130.5077 2612.3780 0.0000 0.0000 52378.5059 -108933.3654 301.0200 -161311.8713 -108564.4131 300.7719 -108.6613 -71.5176 760502.3291 5.3218 5.4092 PRESSURE: 1960200 -108.093 -119.261 142.514 -119.261 33.1584 -154.701 142.515 -154.701 -166.981 GPRESSURE: 1960200 -84.7811 -101.872 188.217 -116.629 96.4925 -122.969 18.095 -282.428 -182.269 PRESSAVG: 1960200 57.1548 -21.7484 30.0296 -21.7484 -34.0832 26.8051 30.0296 26.805 2.8672 GPRESSAVG: 1960200 58.8063 -22.6743 30.1919 -23.6346 -35.4683 29.2952 29.5268 27.2136 2.56838 TIMING: 1960200 CPU: 6182.07, 0.00314955/step Wall: 6182.07, 0.00314955/step, 2.65944 hours remaining, 238.554688 MB of memory in use. ENERGY: 1960200 4026.0302 20475.1954 14511.8017 244.9866 -203346.4192 2670.2463 0.0000 0.0000 52358.4110 -109059.7480 300.9045 -161418.1590 -108697.1967 300.3491 -80.6387 -56.8524 762326.5832 8.6463 8.6355 LDB: ============= START OF LOAD BALANCING ============== 6194.46 LDB: ============== END OF LOAD BALANCING =============== 6194.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6194.46 LDB: ============= START OF LOAD BALANCING ============== 6194.78 LDB: Largest compute 7034 load 0.032317 is 16.5% of average load 0.196038 LDB: Average compute 0.004396 is 2.2% of average load 0.196038 LDB: TIME 6194.78 LOAD: AVG 0.196038 MAX 0.215221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 241.172 MB LDB: TIME 6194.78 LOAD: AVG 0.196038 MAX 0.215221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.242 MB LDB: TIME 6194.78 LOAD: AVG 0.196038 MAX 0.215221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.242 MB LDB: ============== END OF LOAD BALANCING =============== 6194.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6194.79 PRESSURE: 1960400 -77.2508 141.652 -16.395 141.654 -154.319 -17.9582 -16.3948 -17.9582 49.5995 GPRESSURE: 1960400 -32.8154 113.457 -4.99826 66.1675 -182.395 23.2881 25.566 -12.3469 97.1473 PRESSAVG: 1960400 81.8916 16.1773 39.2813 16.1773 -72.1701 -6.26273 39.2814 -6.26269 15.4119 GPRESSAVG: 1960400 80.8147 16.601 38.6382 16.2394 -71.1711 -6.26947 40.6654 -7.99632 15.3463 TIMING: 1960400 CPU: 6182.71, 0.0032056/step Wall: 6182.71, 0.0032056/step, 2.7066 hours remaining, 238.207031 MB of memory in use. ENERGY: 1960400 3968.0072 20463.4796 14405.7590 253.0888 -203290.1516 2561.3897 0.0000 0.0000 52537.0897 -109101.3376 301.9314 -161638.4274 -108733.2140 300.0772 -60.6568 -39.3545 759932.2130 8.3778 8.3299 PRESSURE: 1960600 -18.899 -44.683 33.1229 -44.682 470.114 49.5804 33.1224 49.5806 110.072 GPRESSURE: 1960600 50.8065 96.0888 11.8323 -137.842 473.943 69.7931 27.8747 25.3755 146.712 PRESSAVG: 1960600 26.8105 -35.7735 45.9864 -35.7734 -6.89681 12.1671 45.9864 12.1671 -1.3669 GPRESSAVG: 1960600 26.4539 -35.8548 46.3445 -34.3917 -6.11359 11.9911 45.0363 13.3155 -1.79901 TIMING: 1960600 CPU: 6183.34, 0.00314281/step Wall: 6183.34, 0.0031428/step, 2.6534 hours remaining, 238.410156 MB of memory in use. ENERGY: 1960600 3962.2077 20475.6074 14404.3233 250.9315 -203404.4258 2678.4965 0.0000 0.0000 52437.8161 -109195.0434 301.3608 -161632.8594 -108831.3669 299.8345 187.0957 223.8203 761690.6316 6.1823 6.1804 PRESSURE: 1960800 -30.3543 152.942 178.247 152.942 -67.9295 -277.05 178.247 -277.05 86.009 GPRESSURE: 1960800 17.1814 85.1846 211.062 146.904 -34.3334 -326.373 139.492 -148.566 95.9254 PRESSAVG: 1960800 -25.0329 -42.7618 20.7483 -42.7619 6.52571 8.00139 20.7484 8.00141 -12.657 GPRESSAVG: 1960800 -24.5319 -41.972 21.5016 -42.6371 6.13875 6.66715 19.3818 8.22953 -13.0329 TIMING: 1960800 CPU: 6183.97, 0.00315294/step Wall: 6183.97, 0.00315294/step, 2.66178 hours remaining, 238.410156 MB of memory in use. ENERGY: 1960800 4001.3344 20577.1913 14389.8569 244.9705 -202980.7965 2421.3379 0.0000 0.0000 52049.1751 -109296.9305 299.1273 -161346.1055 -108930.3908 299.5698 -4.0916 26.2578 761710.2386 -10.3881 -10.4753 PRESSURE: 1961000 357.528 91.9921 -100.204 91.992 -86.3941 188.739 -100.205 188.739 163.522 GPRESSURE: 1961000 411.112 -1.4104 -70.083 58.1562 2.06513 104.412 -230.529 123.237 92.8731 PRESSAVG: 1961000 0.919072 -5.01451 -12.5316 -5.01447 -8.98802 28.1441 -12.5316 28.1441 5.37706 GPRESSAVG: 1961000 1.19175 -5.62993 -14.5069 -4.59367 -9.38926 27.8817 -10.511 27.6771 5.95778 TIMING: 1961000 CPU: 6184.6, 0.00317508/step Wall: 6184.6, 0.00317508/step, 2.68029 hours remaining, 238.410156 MB of memory in use. ENERGY: 1961000 3927.3626 20586.0645 14497.1563 251.6008 -203025.0109 2531.2220 0.0000 0.0000 51892.2457 -109339.3590 298.2254 -161231.6047 -108990.0045 299.3279 144.8852 168.6835 761978.2063 -0.8973 -0.7466 PRESSURE: 1961200 -30.6199 269.114 -397.412 269.114 -260.628 -324.452 -397.413 -324.451 205.887 GPRESSURE: 1961200 33.6758 164.918 -362.629 46.1825 -231.881 -330.133 -347 -330.742 179.186 PRESSAVG: 1961200 24.8509 -1.32637 -22.6378 -1.32643 -44.7334 1.70258 -22.6378 1.70256 -17.828 GPRESSAVG: 1961200 24.8338 -2.00957 -21.7515 -3.24956 -44.2319 1.73674 -24.0034 1.28742 -18.0051 TIMING: 1961200 CPU: 6185.23, 0.00316073/step Wall: 6185.23, 0.00316073/step, 2.66801 hours remaining, 238.410156 MB of memory in use. ENERGY: 1961200 4006.3935 20542.2721 14368.1265 237.8320 -202798.6427 2215.2667 0.0000 0.0000 52247.8161 -109180.9358 300.2689 -161428.7518 -108815.3522 299.9790 -28.4538 -6.3398 762605.1756 -12.5701 -12.4677 PRESSURE: 1961400 118.119 -31.2725 -4.97331 -31.2727 236.561 264.519 -4.97341 264.519 109.033 GPRESSURE: 1961400 105.254 -21.4493 44.4821 -146.878 195.378 300.748 20.4279 148.995 242.507 PRESSAVG: 1961400 9.9057 -27.7695 28.7066 -27.7695 -28.1094 15.4725 28.7066 15.4725 6.09804 GPRESSAVG: 1961400 8.8386 -26.6818 28.658 -25.7119 -28.5826 15.9062 30.9161 16.7435 7.96605 TIMING: 1961400 CPU: 6185.86, 0.00313456/step Wall: 6185.86, 0.00313456/step, 2.64574 hours remaining, 238.410156 MB of memory in use. ENERGY: 1961400 3988.7203 20599.8072 14479.5555 232.3636 -203430.8615 2726.9208 0.0000 0.0000 52063.6362 -109339.8580 299.2104 -161403.4942 -108973.6033 299.9217 154.5708 181.0463 762880.2660 -4.0352 -3.9260 PRESSURE: 1961600 -115.128 124.552 91.1423 124.551 -244.182 24.3295 91.1426 24.3306 -351.366 GPRESSURE: 1961600 -54.3934 109.887 116.077 142.041 -178.137 -44.7659 4.18362 20.6998 -404.403 PRESSAVG: 1961600 -10.9157 16.382 4.74248 16.382 8.49246 75.7571 4.7425 75.7571 34.1938 GPRESSAVG: 1961600 -9.14305 16.5717 2.70473 16.8719 9.09344 77.462 3.46157 73.7077 32.3407 TIMING: 1961600 CPU: 6186.49, 0.0031286/step Wall: 6186.49, 0.0031286/step, 2.64054 hours remaining, 238.410156 MB of memory in use. ENERGY: 1961600 3975.1112 20410.0150 14399.1694 238.1669 -202815.8550 2244.2664 0.0000 0.0000 52229.7940 -109319.3321 300.1653 -161549.1261 -108951.9021 299.8096 -236.8919 -212.3111 761508.9067 10.5902 10.7637 PRESSURE: 1961800 -75.8122 303.151 40.3398 303.152 -125.791 -175.751 40.3404 -175.751 -75.9158 GPRESSURE: 1961800 -56.2636 192.715 84.4317 268.283 6.94907 -106.839 29.4493 -52.6674 -125.64 PRESSAVG: 1961800 -18.3303 -10.4859 59.4139 -10.4859 -15.8437 7.48658 59.4139 7.48662 0.354085 GPRESSAVG: 1961800 -20.0412 -11.7609 60.9612 -12.4605 -15.1642 5.21324 60.1511 9.46563 0.518564 TIMING: 1961800 CPU: 6187.11, 0.00313583/step Wall: 6187.11, 0.00313584/step, 2.64647 hours remaining, 238.410156 MB of memory in use. ENERGY: 1961800 4012.2395 20468.1105 14430.9729 264.0292 -203329.1995 2732.5886 0.0000 0.0000 52125.1362 -109296.1227 299.5639 -161421.2589 -108937.8825 300.0422 -92.5065 -58.3180 760931.7379 -11.2733 -11.5623 PRESSURE: 1962000 328.192 66.4911 -261.453 66.4917 -120.468 80.7961 -261.453 80.7961 -386.866 GPRESSURE: 1962000 215.344 -27.973 -285.602 47.1507 -33.8639 21.5063 -208.7 145.259 -260.425 PRESSAVG: 1962000 61.0419 -38.5309 35.0837 -38.531 -27.2102 -125.895 35.0837 -125.895 -8.84355 GPRESSAVG: 1962000 62.0795 -38.2971 34.3259 -38.5257 -28.3833 -125.891 35.2671 -125.038 -7.83646 TIMING: 1962000 CPU: 6187.74, 0.00313502/step Wall: 6187.74, 0.00313502/step, 2.6456 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1962000 3916.8654 20560.8858 14465.3959 261.0616 -203185.4334 2489.9499 0.0000 0.0000 52030.5492 -109460.7257 299.0203 -161491.2748 -109101.3970 299.8973 -59.7138 -26.3149 759850.8349 8.3294 8.6199 PRESSURE: 1962200 58.4714 142.968 24.0611 142.969 -151.257 -2.29829 24.0613 -2.29863 -77.9698 GPRESSURE: 1962200 138.267 119.178 0.771598 146.511 -113.573 64.7675 -18.6551 -20.4573 -126.201 PRESSAVG: 1962200 -4.19759 -32.9198 1.15333 -32.9199 -6.94905 -8.23284 1.15336 -8.23283 3.51465 GPRESSAVG: 1962200 -2.95204 -31.9955 0.950618 -33.9008 -6.82793 -6.83164 2.1445 -11.0906 2.04718 TIMING: 1962200 CPU: 6188.37, 0.0031434/step Wall: 6188.37, 0.0031434/step, 2.65251 hours remaining, 238.410156 MB of memory in use. ENERGY: 1962200 3972.0858 20475.9780 14467.5954 253.9261 -203274.1247 2505.7401 0.0000 0.0000 52110.3023 -109488.4968 299.4786 -161598.7991 -109130.5353 298.8086 -56.9185 -33.8358 760213.7292 -2.5440 -2.5776 PRESSURE: 1962400 57.4919 -106.907 61.2627 -106.907 -269.231 -236.955 61.2627 -236.955 116.704 GPRESSURE: 1962400 97.0323 29.3717 276.767 -72.6219 -251.914 -258.815 -28.421 -136.957 139.772 PRESSAVG: 1962400 23.4571 -13.5752 11.0664 -13.5753 15.3566 44.0828 11.0664 44.0828 -3.6311 GPRESSAVG: 1962400 21.5528 -13.3792 13.0322 -11.9027 16.0771 44.1054 9.15574 44.2609 -1.88595 TIMING: 1962400 CPU: 6189, 0.003139/step Wall: 6189, 0.003139/step, 2.64862 hours remaining, 238.410156 MB of memory in use. ENERGY: 1962400 4010.6256 20407.7061 14467.8540 246.8998 -203285.8379 2450.0592 0.0000 0.0000 52326.6004 -109376.0927 300.7217 -161702.6931 -109018.4222 299.5726 -31.6785 -5.0367 759676.4728 11.7275 11.9147 PRESSURE: 1962600 -2.8381 109.808 -66.7955 109.807 -194.15 -16.9385 -66.7957 -16.9387 -260.737 GPRESSURE: 1962600 -3.27638 10.6052 -103.281 112.433 -89.8931 6.1679 -25.8941 -135.45 -296.167 PRESSAVG: 1962600 19.2894 -11.9781 2.86209 -11.9781 -19.4977 30.7803 2.8621 30.7803 5.16338 GPRESSAVG: 1962600 20.4296 -14.1787 0.623199 -10.2867 -18.7238 29.9945 4.17723 31.2736 2.90668 TIMING: 1962600 CPU: 6189.63, 0.00316555/step Wall: 6189.63, 0.00316555/step, 2.67084 hours remaining, 238.410156 MB of memory in use. ENERGY: 1962600 4044.1256 20516.3519 14537.7820 244.6063 -203342.7210 2503.0215 0.0000 0.0000 52199.4927 -109297.3410 299.9912 -161496.8336 -108925.2177 299.5994 -152.5752 -129.7789 760250.8788 1.6517 1.5375 PRESSURE: 1962800 -169.717 -213.496 -146.816 -213.496 -175.063 126.471 -146.817 126.471 282.849 GPRESSURE: 1962800 -166.042 -114.917 -246.198 -291.51 -69.3699 97.7686 -181.382 332.681 260.984 PRESSAVG: 1962800 -72.6595 13.6827 -17.9761 13.6828 7.70902 18.0298 -17.9761 18.0297 16.0845 GPRESSAVG: 1962800 -72.3319 14.6367 -16.127 12.5274 6.804 19.1194 -19.3038 19.1624 16.8023 TIMING: 1962800 CPU: 6190.26, 0.00315155/step Wall: 6190.26, 0.00315155/step, 2.65886 hours remaining, 238.410156 MB of memory in use. ENERGY: 1962800 4034.2570 20582.0028 14482.8966 246.0535 -203389.7506 2352.4811 0.0000 0.0000 52251.2426 -109440.8170 300.2886 -161692.0597 -109078.9506 299.5531 -20.6433 8.5239 759414.5567 -16.2887 -16.2419 PRESSURE: 1963000 138.076 -20.7958 -74.619 -20.7959 166.732 -92.3911 -74.618 -92.3914 -77.8892 GPRESSURE: 1963000 181.35 -30.0674 -120.564 -52.1007 202.951 -104.059 -73.3256 -197.051 -84.548 PRESSAVG: 1963000 28.1526 -22.9856 -26.8335 -22.9856 23.6746 40.4884 -26.8335 40.4884 -6.32522 GPRESSAVG: 1963000 27.0686 -20.5655 -28.4809 -25.5164 24.0459 39.7128 -25.9962 37.385 -5.72866 TIMING: 1963000 CPU: 6190.89, 0.00316924/step Wall: 6190.89, 0.00316925/step, 2.67361 hours remaining, 238.410156 MB of memory in use. ENERGY: 1963000 3939.3352 20552.5847 14403.2960 252.7673 -203629.6087 2788.0972 0.0000 0.0000 52345.1811 -109348.3472 300.8285 -161693.5283 -108967.3907 300.0415 75.6394 99.9178 759673.9861 15.1673 15.1286 PRESSURE: 1963200 -34.1226 -101.249 65.952 -101.248 49.9674 -224.434 65.9523 -224.435 -319.273 GPRESSURE: 1963200 42.1324 -74.8859 65.4488 -97.7866 56.5225 -191.584 43.8879 -155.859 -326.536 PRESSAVG: 1963200 26.1305 -9.48319 -34.4903 -9.48322 -43.9013 18.0185 -34.4904 18.0186 19.9603 GPRESSAVG: 1963200 27.5602 -11.5549 -31.8575 -8.43767 -44.138 18.0389 -34.5931 19.7691 18.9907 TIMING: 1963200 CPU: 6191.53, 0.00319128/step Wall: 6191.53, 0.00319128/step, 2.69202 hours remaining, 238.410156 MB of memory in use. ENERGY: 1963200 4006.7919 20615.7231 14430.8710 243.8457 -203582.8892 2763.1776 0.0000 0.0000 52057.0330 -109465.4470 299.1725 -161522.4800 -109098.9588 299.6815 -101.1428 -75.9602 760688.3583 0.7299 0.8043 PRESSURE: 1963400 29.0553 -59.1549 -170.58 -59.1548 98.2884 65.7858 -170.581 65.7865 -274.575 GPRESSURE: 1963400 37.384 -170.355 -140.173 -57.563 115.065 136.408 -189.928 11.7468 -199.157 PRESSAVG: 1963400 -42.574 -68.7986 -6.73913 -68.7985 16.9213 -27.9372 -6.73914 -27.9372 -7.39891 GPRESSAVG: 1963400 -44.6245 -70.6869 -8.96868 -67.2243 17.6826 -27.9203 -7.14726 -27.9606 -5.94308 TIMING: 1963400 CPU: 6192.17, 0.00317331/step Wall: 6192.17, 0.00317331/step, 2.67668 hours remaining, 238.410156 MB of memory in use. ENERGY: 1963400 3953.6582 20494.5316 14414.2707 240.4847 -202994.9374 2414.4844 0.0000 0.0000 52124.8553 -109352.6524 299.5623 -161477.5078 -108989.6332 299.2401 -49.0770 -15.5693 762905.9408 -11.0172 -10.9617 PRESSURE: 1963600 -403.098 -53.3304 -101.589 -53.3301 -480.3 -273.991 -101.589 -273.991 42.0144 GPRESSURE: 1963600 -336.777 25.7575 -167.386 -121.666 -424.597 -177.002 -99.369 -270.388 13.5825 PRESSAVG: 1963600 -3.26016 -47.7339 -15.7757 -47.734 -55.0815 -12.4541 -15.7758 -12.4541 -1.03164 GPRESSAVG: 1963600 -1.71881 -45.7629 -15.4453 -48.9887 -56.3506 -11.6598 -17.9204 -12.9395 -1.71948 TIMING: 1963600 CPU: 6192.8, 0.0031549/step Wall: 6192.8, 0.0031549/step, 2.66098 hours remaining, 238.410156 MB of memory in use. ENERGY: 1963600 3943.4060 20518.5561 14486.4624 259.9111 -203152.7840 2525.8858 0.0000 0.0000 51979.3867 -109439.1759 298.7262 -161418.5627 -109079.1165 298.9320 -280.4614 -249.2636 762469.0467 -19.7911 -19.9296 PRESSURE: 1963800 208.607 -210.426 48.628 -210.426 90.0631 -14.9502 48.627 -14.9498 -198.033 GPRESSURE: 1963800 248.759 -112.552 49.5999 -233.206 75.9624 -32.8911 77.6492 15.6014 -112.756 PRESSAVG: 1963800 24.2151 -36.2336 -1.699 -36.2336 18.9738 -25.4042 -1.69901 -25.4042 0.884835 GPRESSAVG: 1963800 23.5525 -35.4013 -0.800476 -35.1145 18.3654 -26.9192 0.904156 -23.873 1.99293 TIMING: 1963800 CPU: 6193.42, 0.00312486/step Wall: 6193.42, 0.00312486/step, 2.63547 hours remaining, 238.410156 MB of memory in use. ENERGY: 1963800 3902.9864 20623.1363 14430.5306 245.1172 -203305.2326 2509.3259 0.0000 0.0000 52384.3333 -109209.8029 301.0535 -161594.1362 -108844.1305 299.3227 33.5454 70.6550 761650.4220 14.6912 14.6370 PRESSURE: 1964000 -391.728 233.735 -18.1583 233.736 -422.668 -189.943 -18.1585 -189.944 -215.469 GPRESSURE: 1964000 -346.642 214.492 3.98883 332.851 -411.943 -295.604 -82.1577 -44.6112 -172.045 PRESSAVG: 1964000 -23.1712 -7.46489 -39.2181 -7.46481 -8.36104 5.54499 -39.2181 5.54507 4.46564 GPRESSAVG: 1964000 -23.2109 -7.21164 -39.3101 -7.24193 -7.91727 5.5309 -41.7541 5.15428 4.15073 TIMING: 1964000 CPU: 6194.05, 0.00313407/step Wall: 6194.05, 0.00313407/step, 2.64307 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1964000 4082.0997 20739.5662 14400.9899 239.3950 -203178.4411 2361.8541 0.0000 0.0000 52373.4121 -108981.1241 300.9907 -161354.5362 -108600.1252 300.1224 -343.2882 -310.2099 762765.1834 -9.0222 -8.9925 PRESSURE: 1964200 -58.6604 15.5371 306.697 15.5367 45.1836 50.6985 306.697 50.7001 -599.708 GPRESSURE: 1964200 -52.3363 53.7234 317.39 -98.3872 87.5531 73.202 319.076 -25.0848 -564.486 PRESSAVG: 1964200 -35.6937 -40.3965 -27.54 -40.3966 23.4179 -21.741 -27.5399 -21.741 22.5037 GPRESSAVG: 1964200 -34.6581 -39.512 -28.875 -40.4627 24.0003 -20.0366 -25.1237 -22.3136 21.0377 TIMING: 1964200 CPU: 6194.68, 0.00314547/step Wall: 6194.68, 0.00314548/step, 2.65251 hours remaining, 238.410156 MB of memory in use. ENERGY: 1964200 4035.4209 20762.4547 14451.4443 255.8156 -203300.3731 2444.8265 0.0000 0.0000 52323.4343 -109026.9768 300.7035 -161350.4111 -108655.2158 300.9374 -204.3949 -176.4231 761690.7629 3.4093 3.4600 LDB: ============= START OF LOAD BALANCING ============== 6207.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6207.08 LDB: =============== DONE WITH MIGRATION ================ 6207.08 LDB: ============= START OF LOAD BALANCING ============== 6207.39 LDB: Largest compute 7034 load 0.032575 is 16.6% of average load 0.196008 LDB: Average compute 0.004372 is 2.2% of average load 0.196008 LDB: TIME 6207.4 LOAD: AVG 0.196008 MAX 0.215226 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.496 MB LDB: TIME 6207.4 LOAD: AVG 0.196008 MAX 0.215226 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.562 MB LDB: TIME 6207.4 LOAD: AVG 0.196008 MAX 0.215226 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.562 MB LDB: ============== END OF LOAD BALANCING =============== 6207.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6207.41 PRESSURE: 1964400 50.7381 -109.33 -393.824 -109.331 -220.254 -152.448 -393.823 -152.447 -93.0737 GPRESSURE: 1964400 46.9947 -140.039 -371.608 -48.4816 -165.15 -160.173 -261.806 -293.802 -67.753 PRESSAVG: 1964400 24.341 -18.3162 -18.5448 -18.3162 -56.8814 -28.4138 -18.5447 -28.4138 4.73747 GPRESSAVG: 1964400 22.9925 -18.6766 -17.6708 -18.214 -56.6471 -30.2124 -17.6678 -29.016 5.73001 TIMING: 1964400 CPU: 6195.32, 0.00321592/step Wall: 6195.32, 0.00321592/step, 2.71174 hours remaining, 236.605469 MB of memory in use. ENERGY: 1964400 4029.9290 20642.2054 14448.2789 232.0930 -203281.9632 2411.8762 0.0000 0.0000 52358.8818 -109158.6989 300.9072 -161517.5807 -108801.5028 300.3966 -87.5298 -61.9695 763218.2743 -9.2676 -9.3082 PRESSURE: 1964600 35.2102 162.894 109.278 162.894 -21.2296 176.134 109.279 176.134 252.656 GPRESSURE: 1964600 15.3067 101.94 64.8822 48.6619 56.4844 223.256 53.5121 99.5515 265.312 PRESSAVG: 1964600 16.3698 40.2733 -0.64646 40.2734 -27.4205 -23.8072 -0.646499 -23.8072 -0.257268 GPRESSAVG: 1964600 17.0672 39.2233 -0.926103 40.4853 -27.0672 -23.4762 -4.3537 -23.4839 -0.811366 TIMING: 1964600 CPU: 6195.95, 0.00314471/step Wall: 6195.95, 0.00314471/step, 2.65151 hours remaining, 236.605469 MB of memory in use. ENERGY: 1964600 4036.0461 20664.7000 14509.0559 256.7619 -203374.0024 2574.0637 0.0000 0.0000 52230.3531 -109103.0218 300.1686 -161333.3749 -108747.1221 299.8473 88.8790 112.3677 760496.3175 -3.7693 -3.6038 PRESSURE: 1964800 -281.235 62.7731 167.207 62.7737 -229.938 -85.1568 167.207 -85.1563 169.328 GPRESSURE: 1964800 -239.989 39.6841 82.9021 73.208 -208.33 -53.6204 185.039 -59.451 197.923 PRESSAVG: 1964800 69.1076 -42.7106 -31.5292 -42.7107 -16.3177 2.37217 -31.5292 2.37222 20.3162 GPRESSAVG: 1964800 69.5071 -42.0318 -31.4908 -41.5939 -17.0481 2.3972 -31.4405 4.15928 20.4815 TIMING: 1964800 CPU: 6196.58, 0.00314078/step Wall: 6196.58, 0.00314078/step, 2.64803 hours remaining, 236.605469 MB of memory in use. ENERGY: 1964800 4012.7966 20689.4797 14525.5286 237.7746 -203349.3013 2513.3314 0.0000 0.0000 52253.2719 -109117.1184 300.3003 -161370.3903 -108766.2077 300.8276 -113.9482 -83.4652 760297.2872 24.3687 24.3135 PRESSURE: 1965000 246.881 -43.4703 109.201 -43.4707 4.86514 43.3633 109.201 43.3628 391.056 GPRESSURE: 1965000 296.01 -45.4873 89.6853 2.09986 -28.5671 36.0823 72.245 51.4783 442.791 PRESSAVG: 1965000 42.8065 -21.3834 18.4198 -21.3834 21.0898 -7.05675 18.4198 -7.05682 -17.3676 GPRESSAVG: 1965000 41.1708 -21.0787 17.3538 -22.7422 21.4924 -8.56987 19.2415 -6.7584 -16.3088 TIMING: 1965000 CPU: 6197.21, 0.00314199/step Wall: 6197.21, 0.00314199/step, 2.64887 hours remaining, 236.605469 MB of memory in use. ENERGY: 1965000 4101.5663 20604.6886 14459.6235 264.2192 -203780.2079 2901.6365 0.0000 0.0000 52364.7428 -109083.7312 300.9409 -161448.4739 -108711.9519 300.4879 214.2676 236.7444 760526.9281 15.5096 15.4515 PRESSURE: 1965200 50.6581 81.7451 -29.0524 81.7456 -28.1709 47.5384 -29.0524 47.5383 10.0956 GPRESSURE: 1965200 48.4613 198.815 -36.3416 -9.63967 85.0396 45.5345 24.8268 92.3791 -22.0506 PRESSAVG: 1965200 6.80346 -4.66448 -32.6756 -4.66452 -24.459 49.8842 -32.6756 49.8843 13.2007 GPRESSAVG: 1965200 7.89213 -6.23303 -30.3512 -5.06504 -25.5794 51.9848 -33.3217 48.149 13.2722 TIMING: 1965200 CPU: 6197.84, 0.00314487/step Wall: 6197.84, 0.00314487/step, 2.65112 hours remaining, 236.605469 MB of memory in use. ENERGY: 1965200 3950.2891 20577.3603 14539.4748 255.2881 -203277.5983 2578.9722 0.0000 0.0000 52321.6806 -109054.5332 300.6934 -161376.2138 -108682.3883 301.0122 10.8609 37.1501 759738.4725 -1.4850 -1.4717 PRESSURE: 1965400 -186.822 4.21414 -67.1004 4.21456 -75.8073 -112.684 -67.1007 -112.684 -26.6082 GPRESSURE: 1965400 -103.177 33.7121 -45.7627 34.2943 -115.638 -59.7893 -152.903 -15.3801 21.3976 PRESSAVG: 1965400 88.3385 22.9694 -29.5759 22.9694 -62.6623 11.1821 -29.5759 11.1821 -9.31025 GPRESSAVG: 1965400 88.7702 23.153 -28.8665 21.7028 -61.552 9.77072 -29.7329 13.4287 -10.7493 TIMING: 1965400 CPU: 6198.47, 0.00316076/step Wall: 6198.47, 0.00316076/step, 2.66434 hours remaining, 236.605469 MB of memory in use. ENERGY: 1965400 3952.6746 20608.9251 14533.3847 228.8030 -202929.7519 2200.1356 0.0000 0.0000 52063.3534 -109342.4754 299.2088 -161405.8288 -108967.7736 300.2485 -96.4124 -65.8055 759345.1823 5.4553 5.4896 PRESSURE: 1965600 308.659 -88.1638 -97.7614 -88.1635 25.0687 204.661 -97.7603 204.662 -1.26732 GPRESSURE: 1965600 324.098 -61.0249 -107.492 -6.41423 79.0111 176.202 -25.9112 131.121 21.838 PRESSAVG: 1965600 -3.12993 -42.6571 -5.99598 -42.6571 -26.955 22.9327 -5.99602 22.9326 -11.3132 GPRESSAVG: 1965600 -3.09235 -42.7546 -6.83606 -41.2745 -26.3445 22.6129 -5.91855 20.8658 -11.7854 TIMING: 1965600 CPU: 6199.1, 0.00315905/step Wall: 6199.1, 0.00315905/step, 2.66273 hours remaining, 236.605469 MB of memory in use. ENERGY: 1965600 3934.5462 20615.8443 14496.0325 259.1807 -203758.3694 2855.7958 0.0000 0.0000 52242.5439 -109354.4260 300.2386 -161596.9699 -108984.8043 299.8617 110.8202 141.6492 761026.3029 -13.7994 -13.7407 PRESSURE: 1965800 -230.187 -182.831 272.858 -182.831 30.3281 -3.10973 272.858 -3.10948 420.603 GPRESSURE: 1965800 -204.782 -105.931 282.249 -26.2252 102.268 37.8362 129.193 73.9641 404.951 PRESSAVG: 1965800 46.5337 -2.12337 -19.1498 -2.12342 -30.4217 -18.0228 -19.1498 -18.0228 0.183201 GPRESSAVG: 1965800 46.323 -1.84415 -19.7357 -2.16458 -31.2687 -16.5281 -19.3045 -17.9735 1.43856 TIMING: 1965800 CPU: 6199.73, 0.00315379/step Wall: 6199.73, 0.00315379/step, 2.65812 hours remaining, 236.605469 MB of memory in use. ENERGY: 1965800 3994.8933 20621.2186 14410.6150 231.5410 -203612.4640 2699.5871 0.0000 0.0000 52275.5854 -109379.0237 300.4285 -161654.6090 -109017.1649 300.0024 73.5812 100.8125 760662.5351 5.4317 5.4976 PRESSURE: 1966000 -227.807 48.2022 -108.763 48.2018 -428.619 18.7586 -108.764 18.7591 -270.898 GPRESSURE: 1966000 -225.223 46.6089 -78.3778 -59.2652 -314.739 -67.0122 -156.939 86.2413 -299.747 PRESSAVG: 1966000 78.5692 -50.5516 11.6398 -50.5517 -15.4603 0.331841 11.6398 0.33194 -6.47764 GPRESSAVG: 1966000 78.3358 -50.7078 11.2773 -49.5433 -14.2439 -1.60362 10.1247 1.43124 -7.26018 TIMING: 1966000 CPU: 6200.36, 0.00314589/step Wall: 6200.36, 0.00314589/step, 2.65128 hours remaining, 236.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1966000 4021.9900 20610.4529 14474.5363 246.0418 -203652.4655 2601.9701 0.0000 0.0000 52160.7171 -109536.7573 299.7684 -161697.4744 -109167.4366 299.6393 -309.1079 -279.9030 761856.3620 18.8771 18.9439 PRESSURE: 1966200 121.791 -45.8365 164.295 -45.8368 -128.965 -134.833 164.295 -134.833 -10.4903 GPRESSURE: 1966200 136.992 -53.8428 143.591 -56.9358 -76.7494 -159.295 195.36 -119.097 8.59285 PRESSAVG: 1966200 -24.4382 -51.792 -14.3665 -51.792 7.04012 -3.99067 -14.3665 -3.99069 -10.5819 GPRESSAVG: 1966200 -25.0503 -52.2015 -14.5067 -53.5067 6.74267 -1.16036 -12.8625 -3.50851 -9.98078 TIMING: 1966200 CPU: 6200.99, 0.00314196/step Wall: 6200.99, 0.00314196/step, 2.6478 hours remaining, 236.605469 MB of memory in use. ENERGY: 1966200 3950.9494 20514.6729 14442.0387 228.8385 -203500.5337 2558.0086 0.0000 0.0000 52250.5823 -109555.4434 300.2848 -161806.0256 -109197.1459 299.4581 -5.8881 22.9452 761369.0484 -9.3267 -9.4295 PRESSURE: 1966400 -221.438 83.5579 80.2325 83.558 -42.2551 10.1587 80.2324 10.1601 -319.889 GPRESSURE: 1966400 -105.507 117.174 45.2711 13.2809 -51.4396 40.5927 49.2068 89.9028 -327.482 PRESSAVG: 1966400 -21.5765 -10.4077 -33.7277 -10.4077 13.8191 -49.3962 -33.7277 -49.3961 -8.04098 GPRESSAVG: 1966400 -20.3647 -10.2768 -33.0501 -10.7228 12.5673 -52.7958 -34.9743 -49.1892 -7.75593 TIMING: 1966400 CPU: 6201.62, 0.00314441/step Wall: 6201.62, 0.00314441/step, 2.64969 hours remaining, 236.605469 MB of memory in use. ENERGY: 1966400 3974.7528 20498.3460 14389.4294 241.1780 -203424.5607 2459.9720 0.0000 0.0000 52088.2140 -109772.6685 299.3517 -161860.8826 -109412.9309 298.8929 -194.5275 -161.4763 759292.1487 -5.2661 -5.1845 PRESSURE: 1966600 -45.2604 -137.393 13.8136 -137.393 -253.52 198.025 13.8125 198.026 -148.499 GPRESSURE: 1966600 -14.5053 -93.7796 -7.39825 -24.2026 -217.773 265.071 -15.398 95.8377 -115.576 PRESSAVG: 1966600 -14.7155 -41.8469 -21.9879 -41.8468 -14.0373 -30.7083 -21.9879 -30.7083 0.00638412 GPRESSAVG: 1966600 -14.3315 -41.8503 -23.4976 -40.4345 -13.7978 -27.516 -21.8541 -32.447 -0.273692 TIMING: 1966600 CPU: 6202.25, 0.00314275/step Wall: 6202.25, 0.00314275/step, 2.64812 hours remaining, 236.605469 MB of memory in use. ENERGY: 1966600 4023.3407 20444.7387 14412.1039 228.7387 -203404.8697 2317.8506 0.0000 0.0000 52233.3904 -109744.7068 300.1860 -161978.0972 -109385.6637 298.9441 -149.0933 -115.9517 760092.5304 -9.5821 -9.4677 PRESSURE: 1966800 -317.19 -102.271 -6.25299 -102.271 -0.447352 21.5091 -6.25362 21.5093 -430.727 GPRESSURE: 1966800 -253.595 -50.1544 -16.1202 -75.9508 -8.37785 -0.437742 -26.2667 -65.1299 -404.419 PRESSAVG: 1966800 6.99804 -21.3888 -93.4851 -21.3888 22.6677 6.728 -93.485 6.728 6.36857 GPRESSAVG: 1966800 5.67553 -20.102 -90.8476 -21.4696 24.4621 4.27235 -92.3198 8.45613 5.84633 TIMING: 1966800 CPU: 6202.87, 0.00312083/step Wall: 6202.87, 0.00312083/step, 2.62948 hours remaining, 236.605469 MB of memory in use. ENERGY: 1966800 3934.3727 20585.7228 14471.2652 257.6760 -203244.5947 2138.8088 0.0000 0.0000 52013.2498 -109843.4995 298.9209 -161856.7493 -109483.4700 299.1070 -249.4548 -222.1305 757911.1799 12.0114 11.9946 PRESSURE: 1967000 175.886 14.3296 -327.561 14.3299 -214.658 -200.245 -327.561 -200.245 -23.1368 GPRESSURE: 1967000 130.679 -102.636 -302.266 30.7784 -74.8439 -190.981 -312.91 -79.3274 -17.9925 PRESSAVG: 1967000 30.9216 -78.2256 -140.53 -78.2256 -36.7752 -25.2207 -140.53 -25.2208 -1.46038 GPRESSAVG: 1967000 30.698 -81.3215 -143.579 -78.8046 -37.5379 -25.7906 -140.49 -25.9983 0.16876 TIMING: 1967000 CPU: 6203.5, 0.00315867/step Wall: 6203.5, 0.00315867/step, 2.66118 hours remaining, 236.605469 MB of memory in use. ENERGY: 1967000 3947.0541 20570.2548 14418.4649 221.1991 -203412.1119 2461.6580 0.0000 0.0000 52012.7269 -109780.7540 298.9179 -161793.4810 -109412.3476 298.8437 -20.6362 12.6141 757339.6244 -2.4380 -2.2237 PRESSURE: 1967200 -64.2345 135.111 91.2603 135.112 43.5139 -120.689 91.2597 -120.689 -29.6725 GPRESSURE: 1967200 -38.0566 106.947 -33.1929 232.604 61.7282 -257.368 19.7142 -41.9325 1.68422 PRESSAVG: 1967200 -13.8082 -4.28804 -147.512 -4.28803 -9.457 23.4099 -147.512 23.4099 16.6501 GPRESSAVG: 1967200 -12.9599 -3.37821 -145.408 -2.80258 -10.9027 24.6017 -148.104 24.3336 17.2167 TIMING: 1967200 CPU: 6204.13, 0.00315605/step Wall: 6204.13, 0.00315605/step, 2.6588 hours remaining, 236.605469 MB of memory in use. ENERGY: 1967200 3922.3123 20473.0643 14471.6209 246.9385 -203322.6104 2610.0069 0.0000 0.0000 52042.5843 -109556.0833 299.0894 -161598.6676 -109188.4589 299.0942 -16.7977 8.4519 760162.2530 -2.2051 -2.2153 PRESSURE: 1967400 -321.657 -196.763 -114.93 -196.763 -252.579 118.453 -114.93 118.454 159.661 GPRESSURE: 1967400 -282.327 -144.16 -141.97 -204.905 -147.099 190.571 -32.3548 141.579 86.8002 PRESSAVG: 1967400 12.5679 -22.7283 -30.5438 -22.7283 -42.0726 18.5319 -30.5439 18.532 -4.67204 GPRESSAVG: 1967400 12.7392 -19.9394 -30.6149 -25.7062 -40.925 17.9752 -30.8133 19.3871 -5.98097 TIMING: 1967400 CPU: 6204.76, 0.00314296/step Wall: 6204.76, 0.00314296/step, 2.6476 hours remaining, 236.605469 MB of memory in use. ENERGY: 1967400 4031.7307 20513.2592 14467.3335 255.8163 -203135.5484 2381.6819 0.0000 0.0000 51994.5157 -109491.2111 298.8132 -161485.7268 -109125.8323 299.5664 -138.1914 -114.2089 759132.6843 -11.3922 -11.3889 PRESSURE: 1967600 56.325 218.141 26.6979 218.14 -222.012 41.5062 26.6979 41.5071 158.275 GPRESSURE: 1967600 15.2467 234.098 -10.624 144.782 -141.225 134.197 50.8108 128.187 184.105 PRESSAVG: 1967600 -23.2478 6.0775 -6.12129 6.07756 -0.28244 13.7307 -6.12135 13.7307 -21.0036 GPRESSAVG: 1967600 -22.9667 5.23707 -6.27911 8.42898 0.180022 14.1092 -6.55183 13.0715 -21.3449 TIMING: 1967600 CPU: 6205.39, 0.0031513/step Wall: 6205.39, 0.0031513/step, 2.65445 hours remaining, 236.605469 MB of memory in use. ENERGY: 1967600 3944.8785 20466.0523 14411.5917 258.9293 -203287.7506 2624.0641 0.0000 0.0000 52009.8898 -109572.3449 298.9016 -161582.2347 -109216.7760 298.5478 -2.4705 19.3758 761164.4635 -14.8446 -14.7105 PRESSURE: 1967800 -90.0028 -152.085 -181.748 -152.085 -98.0584 77.6648 -181.748 77.6648 212.469 GPRESSURE: 1967800 -126.345 -211.781 -142.426 -192.751 -14.9206 14.6121 -176.952 -136.736 253.034 PRESSAVG: 1967800 29.6731 -28.935 -36.1563 -28.9351 11.0303 -6.28249 -36.1563 -6.28248 -24.0286 GPRESSAVG: 1967800 29.8418 -31.3425 -36.9419 -31.1887 9.86382 -7.06976 -36.1527 -7.52569 -22.3057 TIMING: 1967800 CPU: 6206.02, 0.00315202/step Wall: 6206.02, 0.00315202/step, 2.65488 hours remaining, 236.605469 MB of memory in use. ENERGY: 1967800 3916.1398 20460.0759 14493.2780 242.3214 -202597.9817 2314.6565 0.0000 0.0000 51881.0866 -109290.4235 298.1613 -161171.5101 -108927.0276 299.3447 8.1358 37.2562 760982.9259 5.5583 5.7999 PRESSURE: 1968000 48.2663 -230.706 108.234 -230.706 122.68 -58.8319 108.234 -58.8311 -0.569435 GPRESSURE: 1968000 104.873 -238.938 181.353 -73.4313 150.768 -37.6903 -28.4367 -80.8261 -15.8689 PRESSAVG: 1968000 18.3152 -46.7594 -58.5552 -46.7594 -76.5856 -16.581 -58.5552 -16.5811 -21.8521 GPRESSAVG: 1968000 18.2332 -46.1853 -58.3676 -45.7246 -74.9351 -15.3945 -60.7991 -17.8674 -23.3339 TIMING: 1968000 CPU: 6206.65, 0.00313247/step Wall: 6206.65, 0.00313247/step, 2.63824 hours remaining, 236.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1968000 4036.6782 20507.0934 14384.4440 255.2147 -203601.1936 2681.9960 0.0000 0.0000 52197.9394 -109537.8279 299.9823 -161735.7673 -109178.3952 299.2305 56.7924 79.9239 759233.5367 -26.7075 -26.6786 PRESSURE: 1968200 -153.829 -289.723 21.526 -289.723 -167.026 -184.036 21.5253 -184.037 -33.9265 GPRESSURE: 1968200 -153.837 -288.748 -23.51 -189.802 -82.7501 -109.158 55.7692 -162.724 -41.3347 PRESSAVG: 1968200 10.9288 -85.0825 -11.5782 -85.0825 29.292 23.6712 -11.5782 23.6711 -15.1245 GPRESSAVG: 1968200 10.6669 -84.3737 -11.0401 -82.4203 28.3685 24.3147 -9.32879 24.5164 -14.4318 TIMING: 1968200 CPU: 6207.28, 0.00313291/step Wall: 6207.28, 0.00313291/step, 2.63843 hours remaining, 236.605469 MB of memory in use. ENERGY: 1968200 3920.4923 20452.6042 14472.5065 228.5969 -203508.6619 2391.6944 0.0000 0.0000 52345.7480 -109697.0197 300.8317 -162042.7677 -109336.0038 299.3912 -118.2605 -92.6407 758886.6908 8.3654 8.2012 LDB: ============= START OF LOAD BALANCING ============== 6219.67 LDB: ============== END OF LOAD BALANCING =============== 6219.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6219.67 LDB: ============= START OF LOAD BALANCING ============== 6219.99 LDB: Largest compute 7034 load 0.032335 is 16.5% of average load 0.196071 LDB: Average compute 0.004387 is 2.2% of average load 0.196071 LDB: TIME 6219.99 LOAD: AVG 0.196071 MAX 0.218067 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.43 MB LDB: TIME 6219.99 LOAD: AVG 0.196071 MAX 0.218067 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.43 MB LDB: TIME 6219.99 LOAD: AVG 0.196071 MAX 0.218067 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.43 MB LDB: ============== END OF LOAD BALANCING =============== 6219.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6220 PRESSURE: 1968400 77.1637 -153.122 -109.255 -153.122 205.11 283.334 -109.255 283.335 -45.9315 GPRESSURE: 1968400 150.48 -183.166 -110.356 -26.9596 173.842 191.14 -85.202 276.945 -3.11747 PRESSAVG: 1968400 -28.4284 -89.5426 6.77017 -89.5426 43.6948 -17.0796 6.77017 -17.0796 -9.00211 GPRESSAVG: 1968400 -27.97 -86.6137 6.49705 -90.9675 43.164 -19.9884 5.98362 -15.2265 -8.73791 TIMING: 1968400 CPU: 6207.92, 0.00320662/step Wall: 6207.92, 0.00320662/step, 2.70033 hours remaining, 239.121094 MB of memory in use. ENERGY: 1968400 3997.2228 20442.5600 14475.4491 242.7051 -203317.0671 2619.3580 0.0000 0.0000 51757.7372 -109782.0348 297.4524 -161539.7720 -109414.3128 298.6294 78.7807 107.0681 758470.3092 2.0881 2.1520 PRESSURE: 1968600 -67.711 -52.9453 12.6426 -52.9449 -297.181 -133.7 12.6427 -133.701 -103.653 GPRESSURE: 1968600 -81.2591 -104.566 -16.3473 -204.767 -232.21 -181.848 34.6695 -73.035 -66.2541 PRESSAVG: 1968600 -25.8663 -73.271 10.285 -73.2711 -7.80369 5.67282 10.285 5.67281 -19.5185 GPRESSAVG: 1968600 -26.0851 -75.7141 8.27186 -73.4374 -5.98505 7.08625 11.3528 3.33324 -20.7656 TIMING: 1968600 CPU: 6208.55, 0.00316028/step Wall: 6208.55, 0.00316028/step, 2.66113 hours remaining, 239.324219 MB of memory in use. ENERGY: 1968600 3940.5269 20480.6687 14460.1337 272.8280 -203158.3870 2171.4598 0.0000 0.0000 52045.1819 -109787.5880 299.1044 -161832.7699 -109428.5692 298.7491 -156.1815 -126.5742 759201.5398 -17.7295 -17.6119 PRESSURE: 1968800 -56.1967 147.141 -78.3034 147.141 -115.958 9.05141 -78.3026 9.05149 -300.386 GPRESSURE: 1968800 11.6236 194.594 -38.7482 123.787 -192.36 17.7472 -61.0127 4.49717 -214.428 PRESSAVG: 1968800 0.418197 -54.7455 24.4761 -54.7455 11.0856 -31.6624 24.4761 -31.6624 31.7665 GPRESSAVG: 1968800 2.22857 -54.3508 27.719 -55.3166 8.8389 -32.0447 24.428 -30.3944 31.4139 TIMING: 1968800 CPU: 6209.19, 0.00318077/step Wall: 6209.19, 0.00318077/step, 2.67821 hours remaining, 239.324219 MB of memory in use. ENERGY: 1968800 4027.2580 20534.2916 14395.2962 254.2641 -203243.4739 2307.1204 0.0000 0.0000 52084.2250 -109641.0185 299.3288 -161725.2435 -109273.1615 298.7678 -157.5137 -131.7213 759791.6485 14.4234 14.1605 PRESSURE: 1969000 -572.496 35.2404 69.8882 35.24 -178.334 -7.74273 69.8886 -7.74123 128.723 GPRESSURE: 1969000 -563.075 15.0852 62.7507 14.891 -122.105 -8.44242 150.818 -110.483 162.841 PRESSAVG: 1969000 7.37149 -79.9022 -18.2704 -79.9022 4.35585 -6.88209 -18.2704 -6.88204 14.1423 GPRESSAVG: 1969000 6.03957 -81.116 -19.9928 -80.1098 4.58134 -6.19821 -18.085 -8.43438 15.1896 TIMING: 1969000 CPU: 6209.81, 0.00314167/step Wall: 6209.81, 0.00314167/step, 2.64511 hours remaining, 239.324219 MB of memory in use. ENERGY: 1969000 4011.8809 20360.8744 14433.8439 244.5287 -203073.5898 2291.8101 0.0000 0.0000 52139.4312 -109591.2206 299.6460 -161730.6517 -109227.6467 299.0029 -207.3691 -174.1128 761089.5701 8.6232 8.6035 PRESSURE: 1969200 -165.014 -138.159 79.3798 -138.159 -579.775 -100.948 79.3807 -100.947 -377.054 GPRESSURE: 1969200 -157.156 -97.1361 4.15191 -72.1193 -551.751 -103.181 128.056 -3.78548 -339.137 PRESSAVG: 1969200 -7.66165 -55.0022 -32.1931 -55.0022 -40.2139 -40.8152 -32.1932 -40.8152 -22.9269 GPRESSAVG: 1969200 -7.58434 -54.5821 -31.0764 -56.391 -39.3238 -41.8621 -34.0125 -36.8094 -23.7623 TIMING: 1969200 CPU: 6210.45, 0.00318174/step Wall: 6210.45, 0.00318174/step, 2.67868 hours remaining, 239.324219 MB of memory in use. ENERGY: 1969200 3949.1974 20630.3663 14450.2642 238.6389 -203216.7500 2379.1640 0.0000 0.0000 51820.3924 -109748.7268 297.8125 -161569.1192 -109383.2784 298.8645 -373.9478 -349.3479 760172.6256 -23.6008 -23.5568 PRESSURE: 1969400 -64.3212 -228.304 16.7164 -228.304 315.66 87.4482 16.7161 87.4483 350.719 GPRESSURE: 1969400 -114.995 -162.837 102.516 -231.217 327.666 84.3949 -47.3477 -117.683 471.434 PRESSAVG: 1969400 63.3471 -90.0128 -2.91946 -90.0127 -65.0277 51.3408 -2.91945 51.3408 1.36579 GPRESSAVG: 1969400 63.1816 -91.0094 -3.99533 -88.0109 -66.8383 52.1302 -0.696284 48.4505 3.49233 TIMING: 1969400 CPU: 6211.08, 0.00314302/step Wall: 6211.08, 0.00314302/step, 2.6459 hours remaining, 239.324219 MB of memory in use. ENERGY: 1969400 3951.2068 20675.1764 14459.6438 245.7031 -203054.9215 2532.6321 0.0000 0.0000 51748.2072 -109442.3521 297.3977 -161190.5593 -109081.6814 299.2270 200.6861 228.0351 759954.7091 -0.1049 -0.0548 PRESSURE: 1969600 -68.4208 -266.645 -109.912 -266.645 280.855 -94.1806 -109.912 -94.1814 -7.44343 GPRESSURE: 1969600 -59.8289 -225.498 -144.61 -176.752 309.624 -70.2065 -82.8521 14.1646 37.8132 PRESSAVG: 1969600 10.0875 -78.5454 -56.5216 -78.5454 44.1149 8.80842 -56.5216 8.80842 11.0525 GPRESSAVG: 1969600 10.381 -76.3835 -56.4961 -78.4525 45.0773 9.35877 -56.9534 9.632 10.0251 TIMING: 1969600 CPU: 6211.71, 0.00316183/step Wall: 6211.71, 0.00316183/step, 2.66156 hours remaining, 239.324219 MB of memory in use. ENERGY: 1969600 4049.0218 20625.2290 14478.7723 232.1850 -203387.7310 2605.0657 0.0000 0.0000 51738.7089 -109658.7482 297.3431 -161397.4572 -109299.8724 298.9790 68.3301 95.8693 760238.8866 21.7516 21.8278 PRESSURE: 1969800 160.395 255.697 29.5123 255.697 -85.4089 50.7185 29.5126 50.7185 247.144 GPRESSURE: 1969800 167.721 203.742 84.6329 112.899 -13.546 -4.89834 109.402 41.3495 250.865 PRESSAVG: 1969800 12.8221 -59.9656 -44.8852 -59.9657 14.0903 -29.6439 -44.8851 -29.6439 27.5463 GPRESSAVG: 1969800 13.9207 -61.2358 -44.1654 -59.0654 14.1219 -30.2834 -45.1466 -29.6747 26.0851 TIMING: 1969800 CPU: 6212.34, 0.00314093/step Wall: 6212.34, 0.00314093/step, 2.64379 hours remaining, 239.324219 MB of memory in use. ENERGY: 1969800 4006.3655 20590.6324 14495.9038 248.3652 -203744.7357 2841.6181 0.0000 0.0000 52053.9958 -109507.8549 299.1550 -161561.8507 -109142.7677 298.7265 107.3767 135.0135 761788.0292 18.1529 18.0426 PRESSURE: 1970000 282.435 -199.729 -54.8159 -199.728 480.946 -97.9803 -54.8157 -97.9804 -52.4921 GPRESSURE: 1970000 201.48 -158.549 -12.0856 -150.962 593.365 -184.082 -112.339 -141.68 7.07111 PRESSAVG: 1970000 -43.9018 -72.0619 1.61965 -72.0619 7.10595 37.3971 1.61966 37.3972 5.33871 GPRESSAVG: 1970000 -45.3308 -70.7254 2.14001 -72.4068 8.05113 37.9156 0.726614 37.778 6.10385 TIMING: 1970000 CPU: 6212.97, 0.00317516/step Wall: 6212.97, 0.00317516/step, 2.67243 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1970000 3951.3142 20591.6082 14462.9737 258.7957 -203845.8723 2803.1871 0.0000 0.0000 52055.0395 -109722.9539 299.1610 -161777.9934 -109363.9665 299.3085 236.9627 267.3054 761102.8390 -10.4857 -10.3919 PRESSURE: 1970200 -291.537 -14.2847 -85.933 -14.2839 -133.83 -76.187 -85.9333 -76.1875 65.4225 GPRESSURE: 1970200 -181.327 -101.463 -158.891 118.759 -187.788 -38.1185 -72.4104 3.76382 79.1225 PRESSAVG: 1970200 44.2268 -60.4758 -25.0039 -60.4759 -30.2311 65.8322 -25.0039 65.8323 6.82591 GPRESSAVG: 1970200 44.5757 -62.9767 -25.4968 -59.4145 -30.5651 65.9306 -24.8999 65.2583 7.10394 TIMING: 1970200 CPU: 6213.6, 0.00313956/step Wall: 6213.6, 0.00313956/step, 2.64229 hours remaining, 239.324219 MB of memory in use. ENERGY: 1970200 3996.6267 20603.6993 14436.2943 273.0737 -203727.9032 2682.8966 0.0000 0.0000 51873.0252 -109862.2874 298.1150 -161735.3126 -109510.8814 298.5989 -119.9815 -96.6643 761543.2594 6.9405 7.0382 PRESSURE: 1970400 317.87 -29.6131 -113.251 -29.6128 -198.897 34.3381 -113.25 34.3382 -134.376 GPRESSURE: 1970400 207.399 57.1481 -65.0755 -109.122 -116.361 72.0733 -143.99 -42.9567 -41.409 PRESSAVG: 1970400 36.9196 -34.6975 18.3562 -34.6975 -80.1293 -22.6465 18.3562 -22.6466 21.8611 GPRESSAVG: 1970400 37.2653 -33.052 17.7542 -36.3664 -80.4728 -21.3703 18.7848 -22.9501 21.493 TIMING: 1970400 CPU: 6214.24, 0.00318385/step Wall: 6214.24, 0.00318385/step, 2.67939 hours remaining, 239.324219 MB of memory in use. ENERGY: 1970400 3988.8679 20612.4505 14431.9667 246.6903 -203571.4792 2692.3311 0.0000 0.0000 51890.2436 -109708.9291 298.2139 -161599.1727 -109352.0970 298.4549 -5.1345 16.5430 761730.1820 -7.1162 -7.2382 PRESSURE: 1970600 271.268 -45.0904 151.313 -45.0903 111.907 -180.77 151.312 -180.771 233.928 GPRESSURE: 1970600 343.286 -84.7833 196.674 -57.9088 141.92 -139.172 83.9763 -193.179 204.903 PRESSAVG: 1970600 76.7749 4.09055 13.3695 4.0905 -57.5306 -25.8111 13.3694 -25.8111 11.6803 GPRESSAVG: 1970600 76.8027 1.72469 12.9979 2.96273 -56.7197 -26.8369 13.0114 -24.6404 10.8512 TIMING: 1970600 CPU: 6214.87, 0.00316131/step Wall: 6214.87, 0.00316131/step, 2.66024 hours remaining, 239.324219 MB of memory in use. ENERGY: 1970600 3980.4741 20569.5799 14479.7537 235.0963 -203512.5137 2703.5241 0.0000 0.0000 51747.9608 -109796.1248 297.3962 -161544.0856 -109438.1336 298.5311 205.7012 230.0359 760540.6185 10.3082 10.3114 PRESSURE: 1970800 -112.387 -19.9372 236.587 -19.9375 152.341 6.00202 236.588 6.00174 -16.7085 GPRESSURE: 1970800 -27.3958 122.051 224.689 110.525 140.659 -62.4576 179.183 3.21217 -5.79968 PRESSAVG: 1970800 18.2871 -10.2467 24.4036 -10.2467 35.7612 21.8115 24.4036 21.8115 -13.3307 GPRESSAVG: 1970800 19.6991 -7.12098 25.5962 -8.9945 34.8969 21.6261 24.7962 19.0778 -13.8562 TIMING: 1970800 CPU: 6215.5, 0.00313965/step Wall: 6215.5, 0.00313965/step, 2.64184 hours remaining, 239.324219 MB of memory in use. ENERGY: 1970800 4002.8120 20337.2449 14490.6751 219.4760 -203622.5229 2654.6753 0.0000 0.0000 52024.7856 -109892.8541 298.9872 -161917.6397 -109547.2637 298.4105 7.7486 35.8210 761167.2819 13.5725 13.5799 PRESSURE: 1971000 235.198 95.673 -191.842 95.6738 -30.9242 -401.848 -191.842 -401.847 290.534 GPRESSURE: 1971000 169.307 103.111 -163.302 51.9693 108.971 -318.302 -155.797 -379.405 297.389 PRESSAVG: 1971000 -13.7459 0.18753 -5.93436 0.187497 -2.54389 29.6424 -5.9344 29.6424 -25.3285 GPRESSAVG: 1971000 -14.6274 -1.49103 -6.00528 -0.0219002 -2.66444 27.6912 -4.95985 33.5493 -24.6487 TIMING: 1971000 CPU: 6216.13, 0.0031689/step Wall: 6216.13, 0.0031689/step, 2.66627 hours remaining, 239.324219 MB of memory in use. ENERGY: 1971000 3940.3815 20410.5109 14421.5266 254.4643 -203829.5654 2781.0768 0.0000 0.0000 52181.7913 -109839.8141 299.8895 -162021.6053 -109474.4720 298.3532 164.9360 191.8889 761919.9071 -13.8728 -13.9802 PRESSURE: 1971200 -193.388 27.951 64.9555 27.9513 14.8489 116.972 64.9558 116.972 -67.1717 GPRESSURE: 1971200 -169.912 10.21 -43.6439 65.0149 28.983 107.002 26.0029 184.903 -29.5404 PRESSAVG: 1971200 26.3191 9.70037 -42.3556 9.70035 -35.6532 -16.8039 -42.3556 -16.8039 -15.5792 GPRESSAVG: 1971200 25.301 9.28276 -43.205 9.93488 -35.8792 -15.1101 -43.4208 -20.0769 -14.4034 TIMING: 1971200 CPU: 6216.76, 0.00311595/step Wall: 6216.76, 0.00311595/step, 2.62155 hours remaining, 239.324219 MB of memory in use. ENERGY: 1971200 3949.4206 20471.3555 14534.7020 267.1779 -203281.3184 2471.4984 0.0000 0.0000 51608.2892 -109978.8748 296.5935 -161587.1640 -109611.5717 298.0904 -81.9035 -56.8232 762967.6201 -8.3044 -8.3272 PRESSURE: 1971400 -89.4848 -48.1818 368.144 -48.1821 -316.27 161.278 368.143 161.279 -204.371 GPRESSURE: 1971400 -42.5204 4.2138 397.897 -13.3356 -245.383 171.658 424.841 191.756 -236.915 PRESSAVG: 1971400 46.6284 28.989 -27.7287 28.9891 -36.6262 40.5554 -27.7287 40.5554 -18.7957 GPRESSAVG: 1971400 46.7193 29.4154 -28.1561 29.4845 -36.6778 40.5049 -25.5325 42.12 -18.7851 TIMING: 1971400 CPU: 6217.39, 0.0031725/step Wall: 6217.39, 0.0031725/step, 2.66895 hours remaining, 239.324219 MB of memory in use. ENERGY: 1971400 3933.8619 20501.9409 14520.5915 254.7027 -203272.8767 2537.5340 0.0000 0.0000 51769.5142 -109754.7315 297.5201 -161524.2456 -109389.9088 298.0700 -203.3753 -174.9394 762164.0550 -2.9312 -2.9145 PRESSURE: 1971600 -19.1055 51.2115 122.857 51.2118 -90.3266 -165.458 122.856 -165.458 -418.311 GPRESSURE: 1971600 -13.913 77.703 135.758 81.4533 -13.7391 -202.733 77.706 -180.139 -408.81 PRESSAVG: 1971600 -12.1305 -37.486 10.4433 -37.486 43.2346 55.194 10.4433 55.194 8.77682 GPRESSAVG: 1971600 -10.9188 -37.5523 10.4895 -39.025 42.2944 54.8347 9.68515 55.2125 8.33295 TIMING: 1971600 CPU: 6218.03, 0.00320507/step Wall: 6218.03, 0.00320507/step, 2.69618 hours remaining, 239.324219 MB of memory in use. ENERGY: 1971600 3936.1627 20283.4428 14496.9488 257.0168 -203151.3365 2311.6379 0.0000 0.0000 51929.1976 -109936.9299 298.4378 -161866.1275 -109580.0622 298.2281 -175.9145 -145.4875 762103.4683 13.2936 13.2362 PRESSURE: 1971800 9.68078 -158.355 -28.8568 -158.355 479.75 -84.78 -28.8558 -84.7801 -225.91 GPRESSURE: 1971800 76.024 -53.2992 9.81049 -153.798 542.03 -127.73 -9.20735 -74.9376 -259.312 PRESSAVG: 1971800 0.977034 35.0443 -20.8535 35.0443 -24.6244 -8.47384 -20.8535 -8.47382 21.7068 GPRESSAVG: 1971800 0.938703 34.7434 -20.245 34.8986 -23.3989 -8.86566 -22.7144 -8.67821 20.7914 TIMING: 1971800 CPU: 6218.67, 0.00318944/step Wall: 6218.67, 0.00318944/step, 2.68285 hours remaining, 239.324219 MB of memory in use. ENERGY: 1971800 3951.2976 20369.5975 14431.6767 238.5385 -203584.6744 2716.4192 0.0000 0.0000 51996.6514 -109880.4935 298.8255 -161877.1449 -109518.4032 298.3750 87.8402 119.5806 760092.6966 -0.6469 -0.5563 PRESSURE: 1972000 -46.7201 -104.713 -162.74 -104.713 25.8853 186.219 -162.74 186.218 487.57 GPRESSURE: 1972000 -24.2185 -269.488 -193.621 -186.212 65.619 206.551 -219.811 171.509 501.27 PRESSAVG: 1972000 -27.4025 -40.6638 14.9986 -40.6638 37.8552 -0.646937 14.9986 -0.646971 10.5454 GPRESSAVG: 1972000 -27.4191 -43.1033 15.0568 -39.9755 37.2257 0.101072 16.416 -0.347865 10.8913 TIMING: 1972000 CPU: 6219.3, 0.00317293/step Wall: 6219.3, 0.00317293/step, 2.66879 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1972000 3963.6222 20492.9391 14455.6102 248.2229 -203339.7757 2589.8170 0.0000 0.0000 51752.1757 -109837.3886 297.4205 -161589.5643 -109485.2629 298.0075 155.5783 180.8903 761652.9484 6.9994 6.8993 PRESSURE: 1972200 159.773 14.6808 5.44121 14.6804 -85.3002 -87.8476 5.44109 -87.8474 -103.503 GPRESSURE: 1972200 290.335 -91.4558 38.9356 125.083 -128.817 -32.0304 -25.1343 -22.6886 -103.589 PRESSAVG: 1972200 46.213 -44.399 10.5303 -44.399 18.5009 9.80889 10.5303 9.80887 6.76764 GPRESSAVG: 1972200 46.8466 -43.203 9.46293 -43.8861 18.6342 8.88869 9.62519 8.13719 5.90616 TIMING: 1972200 CPU: 6219.94, 0.00316568/step Wall: 6219.94, 0.00316568/step, 2.66251 hours remaining, 239.324219 MB of memory in use. ENERGY: 1972200 3959.1098 20370.1909 14418.6648 252.6759 -203640.2130 2866.2513 0.0000 0.0000 52000.9419 -109772.3785 298.8501 -161773.3204 -109408.3576 298.1678 -9.6768 19.3097 762095.8970 23.8272 23.7957 LDB: ============= START OF LOAD BALANCING ============== 6232.34 LDB: ============== END OF LOAD BALANCING =============== 6232.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6232.34 LDB: ============= START OF LOAD BALANCING ============== 6232.65 LDB: Largest compute 7025 load 0.033804 is 17.3% of average load 0.195936 LDB: Average compute 0.004413 is 2.3% of average load 0.195936 LDB: TIME 6232.66 LOAD: AVG 0.195936 MAX 0.214887 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 6232.66 LOAD: AVG 0.195936 MAX 0.214887 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.379 MB LDB: TIME 6232.66 LOAD: AVG 0.195936 MAX 0.214887 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6232.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6232.66 PRESSURE: 1972400 -108.342 -7.03848 -48.415 -7.03895 208.327 9.71644 -48.4156 9.7159 114.306 GPRESSURE: 1972400 -44.3935 -101.516 1.11288 -76.8296 238.123 -34.5162 -101.14 122.718 103.572 PRESSAVG: 1972400 33.3865 -38.9774 -38.1074 -38.9774 -49.4411 4.36841 -38.1075 4.36844 8.9572 GPRESSAVG: 1972400 32.8485 -36.3058 -37.6986 -40.0515 -49.4042 3.96612 -37.0609 5.63793 9.23801 TIMING: 1972400 CPU: 6220.58, 0.003214/step Wall: 6220.58, 0.003214/step, 2.70298 hours remaining, 238.589844 MB of memory in use. ENERGY: 1972400 4008.5785 20395.7419 14458.6070 247.4363 -202961.7852 2490.2533 0.0000 0.0000 51724.3155 -109636.8527 297.2604 -161361.1682 -109280.5615 297.9785 71.4303 99.1006 764075.1324 -2.3658 -2.4392 PRESSURE: 1972600 -41.3509 72.6588 334.29 72.6579 -234.76 92.3173 334.291 92.3177 143.397 GPRESSURE: 1972600 -62.2341 127.855 388.728 -17.3344 -106.981 158.845 303.399 118.582 105.972 PRESSAVG: 1972600 -46.4487 -28.1982 -7.44277 -28.1981 60.9187 20.0655 -7.44275 20.0654 -12.0422 GPRESSAVG: 1972600 -46.7984 -27.4567 -6.4716 -28.1072 60.8862 20.453 -9.21535 20.4975 -11.9099 TIMING: 1972600 CPU: 6221.21, 0.00313555/step Wall: 6221.21, 0.00313555/step, 2.63683 hours remaining, 238.792969 MB of memory in use. ENERGY: 1972600 3976.7685 20359.6710 14423.4373 251.3441 -203179.5569 2617.7030 0.0000 0.0000 51646.4464 -109904.1866 296.8128 -161550.6330 -109533.7076 297.8074 -44.2378 -21.0813 763362.4964 0.8092 0.7260 PRESSURE: 1972800 -63.7669 59.1653 118.18 59.1657 53.4465 -96.5074 118.18 -96.5083 -163.281 GPRESSURE: 1972800 11.7523 26.8431 145.322 55.9042 -52.0951 -126.895 101.014 28.9611 -63.6395 PRESSAVG: 1972800 -4.59125 -20.9595 29.6292 -20.9595 -30.4751 14.0113 29.6292 14.0113 31.7458 GPRESSAVG: 1972800 -3.93496 -24.0587 26.6257 -19.8519 -30.9657 14.0689 32.2183 15.6362 31.2272 TIMING: 1972800 CPU: 6221.84, 0.00315188/step Wall: 6221.84, 0.00315188/step, 2.65038 hours remaining, 238.792969 MB of memory in use. ENERGY: 1972800 4005.4080 20492.3300 14430.0656 254.2767 -203222.2385 2448.3802 0.0000 0.0000 52181.9335 -109409.8445 299.8903 -161591.7780 -109042.9054 298.5767 -57.8670 -34.6608 760734.2870 -1.1068 -1.2245 PRESSURE: 1973000 201.599 122.71 -55.9148 122.71 -423.017 124.117 -55.9144 124.117 -237.626 GPRESSURE: 1973000 235.929 180.05 -130.176 68.7766 -266.113 37.6922 -143.174 216.183 -343.356 PRESSAVG: 1973000 -5.74907 -49.0526 55.0113 -49.0525 30.5215 40.7282 55.0113 40.7282 15.4303 GPRESSAVG: 1973000 -6.01072 -47.9491 57.6181 -50.1116 31.854 40.5929 51.9345 38.2189 14.9949 TIMING: 1973000 CPU: 6222.47, 0.00314888/step Wall: 6222.47, 0.00314888/step, 2.64768 hours remaining, 238.792969 MB of memory in use. ENERGY: 1973000 3992.5976 20415.6847 14515.7946 241.7107 -203148.2632 2599.2914 0.0000 0.0000 52072.7134 -109310.4708 299.2626 -161383.1842 -108951.5174 299.7066 -153.0144 -124.5132 761850.5147 13.4009 13.6127 PRESSURE: 1973200 -196.684 62.5812 33.7544 62.5815 -84.5156 37.0684 33.7547 37.0674 35.2758 GPRESSURE: 1973200 -144.975 134.722 69.3604 173.486 -54.5327 12.5061 -1.12152 193.971 28.51 PRESSAVG: 1973200 2.73441 6.70424 8.58676 6.70425 5.78845 -68.9856 8.58672 -68.9856 27.2898 GPRESSAVG: 1973200 3.10861 5.12037 8.32764 9.65288 4.66322 -68.507 9.55768 -68.0734 27.5883 TIMING: 1973200 CPU: 6223.1, 0.00314409/step Wall: 6223.1, 0.00314409/step, 2.64348 hours remaining, 238.792969 MB of memory in use. ENERGY: 1973200 4066.1049 20457.1253 14451.0990 248.1866 -203452.9921 2833.4875 0.0000 0.0000 51911.1054 -109485.8833 298.3338 -161396.9887 -109120.9847 299.5402 -81.9746 -56.9994 760469.0087 11.9376 11.7867 PRESSURE: 1973400 -263.757 104.907 -279.675 104.907 123.75 -330.486 -279.675 -330.487 35.7965 GPRESSURE: 1973400 -225.725 2.91344 -351.917 -7.81254 129.316 -262.562 -271.545 -112.507 47.2587 PRESSAVG: 1973400 -19.4131 -15.1495 0.373584 -15.1495 18.2507 -3.67474 0.373601 -3.67475 7.75517 GPRESSAVG: 1973400 -19.4058 -14.5752 0.33264 -16.6663 17.9302 -4.17207 -0.0450727 -3.50353 7.90041 TIMING: 1973400 CPU: 6223.72, 0.00312979/step Wall: 6223.72, 0.00312979/step, 2.63129 hours remaining, 238.792969 MB of memory in use. ENERGY: 1973400 3987.1359 20357.0241 14443.2801 231.7766 -203369.5747 2574.0677 0.0000 0.0000 52025.9725 -109750.3177 298.9940 -161776.2902 -109400.0899 298.5084 -34.7366 -16.3837 760939.0424 2.1976 2.1416 PRESSURE: 1973600 -101.233 145.009 36.5437 145.009 213.16 117.985 36.5432 117.986 39.9787 GPRESSURE: 1973600 -62.7723 189.676 3.16903 83.1744 202.38 191.263 -78.0841 11.1852 81.1158 PRESSAVG: 1973600 34.7864 -46.9805 2.84255 -46.9804 -12.2301 18.0688 2.84254 18.0688 -2.90934 GPRESSAVG: 1973600 34.0933 -43.0295 2.55908 -49.4699 -11.6976 18.6574 3.9179 18.4811 -3.32834 TIMING: 1973600 CPU: 6224.35, 0.00311807/step Wall: 6224.35, 0.00311807/step, 2.62126 hours remaining, 238.792969 MB of memory in use. ENERGY: 1973600 3936.8933 20430.3002 14413.6984 240.2861 -203430.4982 2616.3490 0.0000 0.0000 52066.9713 -109725.9998 299.2296 -161792.9711 -109362.1170 298.3028 50.6353 73.5745 761439.4424 6.5490 6.3558 PRESSURE: 1973800 -127.888 -138.189 -148.946 -138.189 -194.471 101.537 -148.946 101.537 -246.592 GPRESSURE: 1973800 -122.697 -142.425 -178.078 -169.833 -184.502 70.9401 -165.121 32.8015 -168.308 PRESSAVG: 1973800 11.4114 -15.5992 -1.49124 -15.5992 20.0044 1.9616 -1.49124 1.96157 -6.45497 GPRESSAVG: 1973800 10.6199 -18.4296 -2.87603 -14.6466 20.2843 1.42634 -0.48583 -0.143329 -5.84271 TIMING: 1973800 CPU: 6224.97, 0.00312249/step Wall: 6224.97, 0.00312249/step, 2.6248 hours remaining, 238.792969 MB of memory in use. ENERGY: 1973800 3973.3762 20421.8168 14411.0890 275.8217 -203109.8803 2389.5884 0.0000 0.0000 51868.5119 -109769.6763 298.0891 -161638.1883 -109402.6038 298.4425 -189.6502 -158.5022 761530.8740 8.3203 8.3538 PRESSURE: 1974000 -121.607 322.98 -156.714 322.981 -301.258 50.5107 -156.713 50.5104 10.4429 GPRESSURE: 1974000 -153.987 171.381 -82.8432 266.93 -204.319 79.246 -124.51 80.859 30.8864 PRESSAVG: 1974000 14.4942 -60.1143 -14.0915 -60.1143 28.0785 -21.0064 -14.0915 -21.0064 -2.86893 GPRESSAVG: 1974000 14.8811 -60.3601 -12.867 -60.5657 28.4657 -22.7551 -17.0001 -18.9498 -3.50512 TIMING: 1974000 CPU: 6225.6, 0.00314842/step Wall: 6225.6, 0.00314842/step, 2.64642 hours remaining, 238.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1974000 3938.0461 20510.4272 14515.6162 251.9684 -203117.6228 2288.3708 0.0000 0.0000 51824.4751 -109788.7189 297.8360 -161613.1940 -109430.9338 298.5003 -137.4742 -109.1398 760947.4749 13.2346 13.2805 PRESSURE: 1974200 -184.978 -185.72 44.47 -185.719 218.284 271.06 44.4708 271.06 -180.889 GPRESSURE: 1974200 -170.174 -10.1709 90.3056 -71.1978 235.602 274.583 149.782 250.953 -129.295 PRESSAVG: 1974200 -16.7714 21.6623 23.4906 21.6623 -30.007 47.5371 23.4906 47.537 8.00696 GPRESSAVG: 1974200 -17.0197 23.4506 22.3919 22.2131 -30.0603 48.9091 26.2951 47.4742 8.50605 TIMING: 1974200 CPU: 6226.22, 0.00312226/step Wall: 6226.22, 0.00312225/step, 2.62425 hours remaining, 238.792969 MB of memory in use. ENERGY: 1974200 3951.9358 20674.6363 14522.5036 262.3658 -203405.7331 2548.1112 0.0000 0.0000 51929.4301 -109516.7504 298.4391 -161446.1805 -109159.8463 298.7169 -49.1944 -21.2889 761017.6232 -12.9238 -12.8580 PRESSURE: 1974400 -75.4482 92.4805 164.016 92.4809 -140.166 -150.375 164.016 -150.376 -60.0285 GPRESSURE: 1974400 -32.2453 116.385 143.045 16.8612 -161.6 -138.284 55.5169 -139.447 -16.6718 PRESSAVG: 1974400 -12.7205 -33.4513 -50.8589 -33.4512 2.29915 70.1672 -50.8589 70.1671 1.33109 GPRESSAVG: 1974400 -11.0767 -33.5853 -50.738 -35.0376 0.353771 71.7136 -52.8344 70.0456 1.14122 TIMING: 1974400 CPU: 6226.85, 0.00313186/step Wall: 6226.85, 0.00313186/step, 2.63216 hours remaining, 238.792969 MB of memory in use. ENERGY: 1974400 3935.4186 20563.8121 14501.4046 247.1138 -203669.2167 2710.1356 0.0000 0.0000 52311.1671 -109400.1649 300.6330 -161711.3320 -109034.2329 299.6262 -91.8810 -70.1724 762284.8357 -3.0301 -3.1939 PRESSURE: 1974600 29.735 -133.935 -6.24884 -133.935 -0.743047 -50.3328 -6.24881 -50.3328 714.015 GPRESSURE: 1974600 23.1591 -1.59759 -105.015 -98.4965 69.9847 -106.607 4.95679 -40.2339 749.433 PRESSAVG: 1974600 89.96 -32.9542 -21.8958 -32.9541 -53.2886 53.3734 -21.8957 53.3734 26.3613 GPRESSAVG: 1974600 89.2356 -32.6728 -22.013 -32.7197 -51.3339 51.1655 -22.0541 53.975 25.5935 TIMING: 1974600 CPU: 6227.48, 0.00313977/step Wall: 6227.48, 0.00313977/step, 2.63863 hours remaining, 238.792969 MB of memory in use. ENERGY: 1974600 4000.1880 20479.1261 14453.4837 233.0425 -203950.0580 3102.9624 0.0000 0.0000 52012.8582 -109668.3971 298.9186 -161681.2552 -109307.1136 299.0733 247.6689 280.8588 762123.8746 21.0109 21.1650 PRESSURE: 1974800 19.4917 -34.2826 -55.4597 -34.2832 176.652 68.5573 -55.4592 68.557 53.3432 GPRESSURE: 1974800 96.7535 -58.072 -91.6699 -40.3518 240.432 36.0436 -86.2433 3.13811 13.683 PRESSAVG: 1974800 20.3573 -26.2422 4.89351 -26.2422 -32.6809 39.8675 4.89356 39.8674 -12.8686 GPRESSAVG: 1974800 19.8078 -26.6313 6.33181 -23.2724 -33.2088 40.1333 6.53381 38.0919 -10.8424 TIMING: 1974800 CPU: 6228.11, 0.00313227/step Wall: 6228.11, 0.00313227/step, 2.63215 hours remaining, 238.792969 MB of memory in use. ENERGY: 1974800 3971.5365 20517.0074 14405.4409 273.4418 -204051.3160 3102.1934 0.0000 0.0000 52016.1298 -109765.5662 298.9374 -161781.6960 -109398.5164 299.0926 83.1624 116.9562 760117.5996 -8.3974 -8.0811 PRESSURE: 1975000 288.272 -82.1573 -64.2548 -82.1571 -39.4968 24.2824 -64.2547 24.2812 312.786 GPRESSURE: 1975000 199.165 -90.3298 -95.3174 -95.939 -32.6049 30.9209 -127.98 22.0311 451.099 PRESSAVG: 1975000 -2.17094 -11.8101 14.365 -11.81 -18.2875 30.1223 14.3651 30.1222 4.93976 GPRESSAVG: 1975000 -2.6255 -10.8326 13.7383 -13.7371 -17.5594 28.9516 13.7963 32.903 4.75046 TIMING: 1975000 CPU: 6228.73, 0.00313336/step Wall: 6228.73, 0.00313336/step, 2.63289 hours remaining, 238.792969 MB of memory in use. ENERGY: 1975000 4010.1050 20485.6086 14486.0961 279.2369 -204062.6841 2890.9232 0.0000 0.0000 52193.9314 -109716.7829 299.9592 -161910.7143 -109355.3265 299.1226 187.1870 205.8864 759944.5279 -5.1729 -5.1448 PRESSURE: 1975200 -23.3878 22.4708 179.213 22.4705 19.9194 147.978 179.213 147.978 286.993 GPRESSURE: 1975200 16.6605 -12.0586 229.535 -1.46122 53.1892 210.463 2.40036 169.236 298.629 PRESSAVG: 1975200 64.4495 -39.8781 -12.1464 -39.8781 -75.2021 26.2551 -12.1465 26.2551 2.53501 GPRESSAVG: 1975200 65.6555 -42.0122 -12.7935 -38.9042 -75.7923 28.73 -13.011 24.2489 1.89951 TIMING: 1975200 CPU: 6229.36, 0.00314303/step Wall: 6229.36, 0.00314303/step, 2.64085 hours remaining, 238.792969 MB of memory in use. ENERGY: 1975200 3946.1219 20408.8942 14530.2399 231.2947 -203529.0011 2698.2787 0.0000 0.0000 51871.3574 -109842.8144 298.1054 -161714.1718 -109473.9267 298.8943 94.5082 122.8262 761712.8053 -2.7392 -2.7458 PRESSURE: 1975400 -422.409 46.1044 -58.8645 46.1026 -326.996 64.6086 -58.8644 64.6092 -100.118 GPRESSURE: 1975400 -416.034 98.8427 -97.3163 -36.5804 -241.133 16.2395 -110.025 83.8748 -112.805 PRESSAVG: 1975400 54.7265 -20.451 17.0786 -20.4511 -65.2818 -11.6666 17.0786 -11.6665 -4.50408 GPRESSAVG: 1975400 55.2579 -18.17 18.0267 -22.6467 -65.8815 -12.9046 17.7309 -12.3234 -4.25646 TIMING: 1975400 CPU: 6229.99, 0.00313019/step Wall: 6229.99, 0.00313019/step, 2.62988 hours remaining, 238.792969 MB of memory in use. ENERGY: 1975400 4035.8482 20459.1543 14465.4680 257.9958 -203570.2421 2660.5825 0.0000 0.0000 51894.3160 -109796.8774 298.2373 -161691.1934 -109443.1966 298.9162 -283.1744 -256.6571 762003.0080 -5.0198 -4.9600 PRESSURE: 1975600 158.432 -106.929 -105.658 -106.929 -37.1439 63.2658 -105.658 63.2659 16.5681 GPRESSURE: 1975600 194.439 -160.034 -122.471 -154.559 113.972 109.875 -195.679 134.536 -65.7517 PRESSAVG: 1975600 38.4811 -39.7953 10.7259 -39.7953 20.4111 18.4245 10.7259 18.4245 -11.1532 GPRESSAVG: 1975600 38.3078 -41.7295 11.565 -37.6783 20.3336 18.3236 9.20216 20.4747 -11.047 TIMING: 1975600 CPU: 6230.61, 0.00312468/step Wall: 6230.61, 0.00312468/step, 2.62508 hours remaining, 238.792969 MB of memory in use. ENERGY: 1975600 3972.9124 20429.9840 14507.9007 243.8885 -203740.7861 2795.6026 0.0000 0.0000 52050.3071 -109740.1908 299.1338 -161790.4978 -109374.1411 298.3006 45.9520 80.8865 761299.3953 15.9130 15.8648 PRESSURE: 1975800 -11.5558 155.603 -4.42767 155.603 -377.907 -7.26833 -4.4275 -7.26985 72.7402 GPRESSURE: 1975800 -21.204 63.1015 -120.244 174.586 -320.273 -44.5246 25.441 119.106 101.966 PRESSAVG: 1975800 -12.6713 -42.0091 -32.8718 -42.0091 -3.29027 5.39265 -32.8718 5.39268 19.394 GPRESSAVG: 1975800 -12.2457 -42.8714 -33.8728 -41.7802 -3.34018 5.74088 -29.3454 4.58668 18.6752 TIMING: 1975800 CPU: 6231.24, 0.00314318/step Wall: 6231.24, 0.00314318/step, 2.64045 hours remaining, 238.792969 MB of memory in use. ENERGY: 1975800 3960.8745 20687.3919 14515.0272 237.3477 -203568.7541 2306.9684 0.0000 0.0000 51990.1189 -109871.0254 298.7879 -161861.1443 -109520.7326 298.9688 -105.5741 -79.8371 761730.1004 1.1442 1.0298 PRESSURE: 1976000 223.523 60.6572 -89.7683 60.6578 195.836 304.754 -89.7686 304.755 282.224 GPRESSURE: 1976000 256.429 132.262 -139.022 57.6569 256.84 422.637 -38.6075 134.066 272.068 PRESSAVG: 1976000 19.6057 -17.3517 19.787 -17.3517 9.74828 38.0179 19.787 38.0179 -4.96758 GPRESSAVG: 1976000 18.9144 -16.4662 18.5566 -18.5074 9.64048 38.7462 17.9636 35.9346 -4.89854 TIMING: 1976000 CPU: 6231.87, 0.00315799/step Wall: 6231.87, 0.00315799/step, 2.65272 hours remaining, 238.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1976000 3903.5261 20538.4064 14468.3487 247.8266 -204130.5759 3049.7673 0.0000 0.0000 52004.9335 -109917.7673 298.8731 -161922.7008 -109550.7364 298.9737 233.8608 261.7791 760249.6698 8.1288 7.8855 PRESSURE: 1976200 332.664 5.84369 55.6353 5.8437 -184.182 10.2418 55.6351 10.2422 257.884 GPRESSURE: 1976200 324.336 34.8458 133.135 -66.7951 -69.3188 59.492 129.767 -71.468 224.588 PRESSAVG: 1976200 22.684 -26.5654 6.07187 -26.5654 -0.532547 8.46647 6.07187 8.46651 21.226 GPRESSAVG: 1976200 22.8866 -25.8516 6.5819 -23.7225 -0.0298565 6.91681 6.45343 11.1926 20.6562 TIMING: 1976200 CPU: 6232.5, 0.00313994/step Wall: 6232.5, 0.00313994/step, 2.63738 hours remaining, 238.792969 MB of memory in use. ENERGY: 1976200 3953.3858 20457.1436 14424.9996 276.9598 -203942.5669 2848.3684 0.0000 0.0000 52156.6852 -109825.0244 299.7452 -161981.7096 -109465.1195 298.8194 135.4553 159.8686 759794.9774 14.4592 14.5043 LDB: ============= START OF LOAD BALANCING ============== 6244.9 LDB: ============== END OF LOAD BALANCING =============== 6244.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6244.9 LDB: ============= START OF LOAD BALANCING ============== 6245.21 LDB: Largest compute 7025 load 0.030828 is 15.7% of average load 0.195978 LDB: Average compute 0.004393 is 2.2% of average load 0.195978 LDB: TIME 6245.22 LOAD: AVG 0.195978 MAX 0.215258 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.34 MB LDB: TIME 6245.22 LOAD: AVG 0.195978 MAX 0.215258 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.344 MB LDB: TIME 6245.22 LOAD: AVG 0.195978 MAX 0.215258 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6245.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6245.22 PRESSURE: 1976400 368.142 -19.288 -17.7894 -19.2887 47.0252 -225.756 -17.7897 -225.756 150.808 GPRESSURE: 1976400 410.262 99.2943 42.0013 29.7889 29.2159 -235.389 51.2216 -53.3429 200.452 PRESSAVG: 1976400 -34.5752 22.7286 1.88783 22.7286 8.77511 -31.8593 1.88783 -31.8593 -12.5542 GPRESSAVG: 1976400 -34.4877 21.795 3.52602 19.7256 7.94192 -32.0718 1.74978 -34.3885 -11.8744 TIMING: 1976400 CPU: 6233.14, 0.00320153/step Wall: 6233.14, 0.00320153/step, 2.68893 hours remaining, 238.394531 MB of memory in use. ENERGY: 1976400 3936.0810 20446.2382 14432.4399 252.2469 -203562.8583 2690.9237 0.0000 0.0000 52117.6872 -109687.2415 299.5211 -161804.9287 -109316.4024 298.4497 188.6586 213.3100 759942.9920 -12.7848 -12.8067 PRESSURE: 1976600 53.7212 108.01 140.678 108.01 -10.6643 -128.668 140.677 -128.668 289.203 GPRESSURE: 1976600 195.569 114.322 168.697 8.2631 30.404 -116.661 184.34 -225.873 202.55 PRESSAVG: 1976600 26.0454 28.4145 -4.90829 28.4144 -39.6568 8.21089 -4.90827 8.21083 -2.4349 GPRESSAVG: 1976600 26.2165 28.3298 -3.88325 30.257 -39.5077 8.97536 -3.49357 10.0416 -2.38072 TIMING: 1976600 CPU: 6233.77, 0.00312769/step Wall: 6233.77, 0.00312769/step, 2.62674 hours remaining, 238.597656 MB of memory in use. ENERGY: 1976600 4015.4817 20424.9657 14477.7341 251.7174 -203515.9713 2610.1356 0.0000 0.0000 51998.6912 -109737.2456 298.8372 -161735.9369 -109376.0964 298.6372 110.7534 142.8409 761899.7251 -5.3488 -5.2240 PRESSURE: 1976800 49.3574 125.715 302.375 125.716 -29.8821 -29.949 302.374 -29.9489 -270.366 GPRESSURE: 1976800 41.9875 91.9051 241.2 133.082 18.3168 96.6225 161.472 44.5713 -229.789 PRESSAVG: 1976800 -15.5545 -31.1683 56.8124 -31.1682 4.92987 47.5005 56.8124 47.5005 0.913418 GPRESSAVG: 1976800 -15.4527 -33.4252 55.3133 -30.3946 3.98578 46.6842 55.3813 47.0478 1.59758 TIMING: 1976800 CPU: 6234.39, 0.00312244/step Wall: 6234.39, 0.00312244/step, 2.62216 hours remaining, 238.597656 MB of memory in use. ENERGY: 1976800 3983.0634 20631.0834 14429.6608 269.4516 -203413.5778 2710.9442 0.0000 0.0000 51897.0389 -109492.3354 298.2530 -161389.3743 -109134.9390 299.1521 -83.6303 -56.4949 763209.4588 -3.2371 -3.2898 PRESSURE: 1977000 -82.3822 -1.87971 -179.282 -1.87974 154.42 294.926 -179.282 294.924 292.713 GPRESSURE: 1977000 -86.5093 61.0371 -165.527 105.608 231.826 292.442 -139.046 188.504 315.034 PRESSAVG: 1977000 45.0802 -34.2515 -41.8637 -34.2515 -30.1819 33.2478 -41.8637 33.2478 2.73982 GPRESSAVG: 1977000 45.1771 -32.0489 -42.2058 -35.8732 -30.6247 33.3706 -42.5364 32.728 2.95505 TIMING: 1977000 CPU: 6235.02, 0.00315156/step Wall: 6235.02, 0.00315156/step, 2.64643 hours remaining, 238.597656 MB of memory in use. ENERGY: 1977000 3977.3217 20441.3695 14477.5546 253.2141 -203389.2967 2727.5494 0.0000 0.0000 51715.9759 -109796.3116 297.2124 -161512.2875 -109441.9776 298.8561 121.5837 153.4503 762281.3660 5.8794 5.8358 PRESSURE: 1977200 53.6961 158.254 -215.492 158.254 -263.945 -397.68 -215.493 -397.679 -11.0198 GPRESSURE: 1977200 81.5517 154.913 -294.469 125.623 -207.792 -415.618 -159.248 -256.761 -9.31242 PRESSAVG: 1977200 -42.762 13.2684 -5.60071 13.2684 -12.3209 34.6995 -5.60069 34.6995 -12.8046 GPRESSAVG: 1977200 -43.2126 12.5633 -5.18455 14.7918 -10.9802 34.4439 -3.96417 35.7022 -13.5772 TIMING: 1977200 CPU: 6235.65, 0.00313328/step Wall: 6235.65, 0.00313328/step, 2.63091 hours remaining, 238.597656 MB of memory in use. ENERGY: 1977200 3929.0141 20627.0830 14468.7557 247.7062 -203729.7548 2726.9001 0.0000 0.0000 51915.0336 -109815.2622 298.3564 -161730.2958 -109453.3711 298.0395 -73.7563 -45.1842 762696.9598 -22.6292 -22.5900 PRESSURE: 1977400 -100.298 -121.615 -4.60061 -121.615 -398.614 -157.761 -4.6009 -157.76 -465.933 GPRESSURE: 1977400 -117.76 -124.222 4.83872 -122.959 -307.812 -155.569 -28.0857 -102.674 -457.891 PRESSAVG: 1977400 -21.9701 10.8195 -19.9263 10.8194 20.5133 -60.0748 -19.9263 -60.0749 1.55764 GPRESSAVG: 1977400 -21.946 11.5603 -18.5877 10.3429 20.1952 -59.5817 -19.6832 -59.9323 1.92463 TIMING: 1977400 CPU: 6236.27, 0.00313218/step Wall: 6236.27, 0.00313218/step, 2.62982 hours remaining, 238.597656 MB of memory in use. ENERGY: 1977400 4003.9003 20558.0714 14485.7775 254.2476 -203705.0835 2683.2774 0.0000 0.0000 52035.0280 -109684.7813 299.0460 -161719.8093 -109319.6235 299.3883 -321.6148 -294.4878 761820.2037 0.0336 0.0579 PRESSURE: 1977600 -59.5718 -121.961 204.017 -121.961 -46.2034 -31.1096 204.017 -31.1096 162.013 GPRESSURE: 1977600 -124.971 -134.345 240.151 -103.531 20.8573 -100.25 132.729 -22.4838 246.265 PRESSAVG: 1977600 -9.672 16.3062 20.6737 16.3062 36.8259 9.36338 20.6737 9.36324 14.5251 GPRESSAVG: 1977600 -10.1277 15.7744 20.1299 14.9332 36.0577 9.49029 19.6915 6.93174 15.542 TIMING: 1977600 CPU: 6236.9, 0.00315089/step Wall: 6236.9, 0.00315089/step, 2.64535 hours remaining, 238.597656 MB of memory in use. ENERGY: 1977600 3945.6862 20447.7723 14567.9008 249.4007 -203894.9158 2971.4827 0.0000 0.0000 51970.4181 -109742.2552 298.6747 -161712.6732 -109381.8397 299.0772 18.7459 47.3838 761396.5511 13.8930 13.8240 PRESSURE: 1977800 109.601 -81.1363 -178.473 -81.1367 406.821 148.447 -178.474 148.446 58.2653 GPRESSURE: 1977800 209.169 4.62789 -186.904 -96.7325 384.583 218.958 -162.323 173.768 68.3425 PRESSAVG: 1977800 -8.22284 -15.557 -11.4765 -15.557 9.28377 -5.58235 -11.4765 -5.58229 23.0071 GPRESSAVG: 1977800 -7.66568 -16.4326 -11.5278 -14.5283 9.90378 -4.77194 -11.608 -4.83248 21.9092 TIMING: 1977800 CPU: 6237.54, 0.00316438/step Wall: 6237.54, 0.00316438/step, 2.6565 hours remaining, 238.597656 MB of memory in use. ENERGY: 1977800 3989.4280 20609.5434 14377.1849 249.9713 -204063.3409 2983.4249 0.0000 0.0000 52041.5036 -109812.2848 299.0832 -161853.7885 -109458.3284 298.7369 191.5627 220.6984 758699.0850 8.0227 8.0491 PRESSURE: 1978000 -12.7038 -56.1776 -182.814 -56.177 -247.832 67.5458 -182.815 67.5458 -228.373 GPRESSURE: 1978000 79.9665 37.8555 -235.03 11.5497 -195.019 39.491 -100.728 143.926 -267.356 PRESSAVG: 1978000 -11.2745 -24.5839 -8.13669 -24.5839 -27.5405 29.5834 -8.13669 29.5834 -5.3283 GPRESSAVG: 1978000 -10.5968 -23.1585 -7.05632 -24.0251 -27.8806 27.9931 -7.55786 28.3239 -5.20992 TIMING: 1978000 CPU: 6238.17, 0.00314533/step Wall: 6238.17, 0.00314533/step, 2.64033 hours remaining, 238.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1978000 3988.0450 20691.3984 14494.8069 243.8485 -203794.1511 2503.6715 0.0000 0.0000 51750.6760 -110121.7048 297.4118 -161872.3808 -109771.7372 297.9878 -162.9696 -127.4695 759652.2007 -14.7144 -14.5624 PRESSURE: 1978200 -121.372 -114.982 172.312 -114.983 182.738 156.389 172.312 156.389 -52.542 GPRESSURE: 1978200 -41.1273 -89.2184 158.232 -74.7233 146.895 148.261 123.775 220.977 -14.8255 PRESSAVG: 1978200 3.02049 15.3819 -4.99489 15.3819 15.2396 15.6814 -4.9949 15.6814 7.71828 GPRESSAVG: 1978200 0.734186 13.4197 -5.58223 17.2669 17.2672 18.3864 -6.129 17.3083 7.71228 TIMING: 1978200 CPU: 6238.8, 0.00315511/step Wall: 6238.8, 0.00315511/step, 2.64836 hours remaining, 238.597656 MB of memory in use. ENERGY: 1978200 3973.6981 20609.6868 14394.8720 250.6224 -203612.5866 2429.1173 0.0000 0.0000 51868.0582 -110086.5319 298.0864 -161954.5901 -109724.6677 298.2990 2.9414 30.3142 759890.1335 8.6595 8.5712 PRESSURE: 1978400 328.756 95.4409 211.659 95.4409 -155.695 136.209 211.66 136.209 173.341 GPRESSURE: 1978400 296.434 119.984 168.493 13.0722 -59.7307 133.207 171.788 75.0076 196.403 PRESSAVG: 1978400 -70.3546 20.9314 -16.4143 20.9313 38.7696 10.9894 -16.4143 10.9893 -25.771 GPRESSAVG: 1978400 -68.517 21.4747 -18.5929 18.6221 37.0025 9.42854 -15.0998 11.0572 -25.6414 TIMING: 1978400 CPU: 6239.43, 0.00314088/step Wall: 6239.43, 0.00314088/step, 2.63625 hours remaining, 238.597656 MB of memory in use. ENERGY: 1978400 4047.1622 20640.1221 14422.0159 268.4286 -204098.3972 2977.0258 0.0000 0.0000 51659.4410 -110084.2017 296.8875 -161743.6427 -109731.4357 298.9959 115.4674 144.3687 759732.5179 -19.1186 -19.0520 PRESSURE: 1978600 -3.29367 -117.458 265.861 -117.459 -348.333 -188.194 265.86 -188.195 -413.217 GPRESSURE: 1978600 -189.477 -145.14 294.116 -84.8334 -154.863 -82.0872 108.881 -74.875 -354.093 PRESSAVG: 1978600 26.2455 6.37856 22.7662 6.37853 -22.2852 -6.79178 22.7661 -6.79182 22.5773 GPRESSAVG: 1978600 24.9216 7.09516 25.6135 6.22138 -22.4198 -5.35349 19.888 -8.0383 23.3464 TIMING: 1978600 CPU: 6240.05, 0.00313941/step Wall: 6240.05, 0.00313941/step, 2.63484 hours remaining, 238.597656 MB of memory in use. ENERGY: 1978600 4023.9243 20540.4310 14426.6101 241.1980 -203878.5746 2537.6481 0.0000 0.0000 52131.3328 -109977.4302 299.5995 -162108.7631 -109600.3769 299.2230 -254.9479 -232.8110 760484.8635 8.8459 8.6160 PRESSURE: 1978800 -390.466 -61.2936 -65.5073 -61.2931 -533.692 -78.2218 -65.5069 -78.2222 -194.868 GPRESSURE: 1978800 -365.881 -192.868 -52.7502 -133.736 -431.03 -65.1545 21.8255 21.3979 -236.007 PRESSAVG: 1978800 -74.765 28.4669 16.5289 28.4669 9.76419 3.00373 16.5288 3.0037 -0.872174 GPRESSAVG: 1978800 -75.0917 25.6958 17.4471 29.6776 11.2424 1.15605 19.0243 4.47889 -1.59077 TIMING: 1978800 CPU: 6240.68, 0.00314876/step Wall: 6240.68, 0.00314876/step, 2.64251 hours remaining, 238.597656 MB of memory in use. ENERGY: 1978800 3993.6718 20508.3329 14419.6285 251.2962 -203404.5473 2318.9456 0.0000 0.0000 51851.7874 -110060.8850 297.9929 -161912.6724 -109706.0042 298.3628 -373.0084 -344.3060 760721.8008 -21.9577 -21.8134 PRESSURE: 1979000 -476.217 -122.085 -58.7507 -122.085 -218.174 -18.8376 -58.7507 -18.8375 -38.9041 GPRESSURE: 1979000 -297.709 -126.323 -88.3901 43.2418 -285.312 101.592 -67.3723 -103.83 -72.9157 PRESSAVG: 1979000 30.6732 -24.6995 -23.4658 -24.6994 -26.387 -1.82732 -23.4658 -1.82734 10.8059 GPRESSAVG: 1979000 32.5624 -21.8561 -26.8293 -26.184 -27.9676 -0.247295 -21.123 -2.12864 10.3998 TIMING: 1979000 CPU: 6241.31, 0.00312414/step Wall: 6241.31, 0.00312414/step, 2.62167 hours remaining, 238.597656 MB of memory in use. ENERGY: 1979000 4065.7813 20381.4384 14488.5434 243.6806 -203817.9553 2781.0477 0.0000 0.0000 51857.1795 -110000.2844 298.0239 -161857.4639 -109636.3811 298.1872 -244.4317 -218.6458 761054.3072 5.0307 4.9982 PRESSURE: 1979200 -27.7769 100.926 -80.4632 100.926 -49.3025 219.619 -80.463 219.618 192.859 GPRESSURE: 1979200 -145.259 -9.52133 -60.3945 81.6007 64.2838 196.149 -49.6349 10.67 288.555 PRESSAVG: 1979200 -11.2388 -27.0243 -12.6229 -27.0243 -7.6691 10.6789 -12.623 10.6789 -8.43105 GPRESSAVG: 1979200 -12.5562 -28.503 -11.9645 -25.4465 -7.26011 9.87271 -13.3324 8.25514 -7.75827 TIMING: 1979200 CPU: 6241.93, 0.00311692/step Wall: 6241.93, 0.00311692/step, 2.61544 hours remaining, 238.597656 MB of memory in use. ENERGY: 1979200 3911.4340 20614.7688 14452.7732 250.9043 -203613.0904 2560.7496 0.0000 0.0000 51949.0732 -109873.3874 298.5520 -161822.4606 -109510.8756 298.1145 38.5933 69.1932 760410.2612 -9.1130 -9.1915 PRESSURE: 1979400 154.512 18.3401 54.5695 18.34 5.60647 -26.3033 54.5692 -26.3033 191.635 GPRESSURE: 1979400 208.082 -17.5719 88.6407 33.967 -1.88027 -112.639 -0.749019 170.252 223.316 PRESSAVG: 1979400 -28.0597 12.085 1.52565 12.085 30.8621 -34.138 1.52568 -34.1381 -8.47184 GPRESSAVG: 1979400 -27.9269 13.446 3.1293 9.85478 30.7551 -33.2974 0.268113 -31.4348 -8.5293 TIMING: 1979400 CPU: 6242.56, 0.00313192/step Wall: 6242.56, 0.00313192/step, 2.62786 hours remaining, 238.597656 MB of memory in use. ENERGY: 1979400 3979.5916 20547.3912 14437.0572 256.1276 -203729.9925 2555.0181 0.0000 0.0000 51993.9519 -109960.8549 298.8100 -161954.8068 -109600.8871 298.4510 117.2509 143.1726 761397.4304 -1.8898 -1.9004 PRESSURE: 1979600 -130.279 91.5554 -240.333 91.5561 -133.907 52.9925 -240.332 52.9921 -165.062 GPRESSURE: 1979600 -48.677 133.651 -204.874 177.369 -140.507 -8.52994 -235.541 99.9617 -149.261 PRESSAVG: 1979600 35.6154 19.9361 -40.5622 19.9361 -19.2715 4.2981 -40.5622 4.29813 7.81231 GPRESSAVG: 1979600 36.1401 19.3999 -40.6663 20.8113 -19.0965 2.6469 -40.3144 3.38237 6.53474 TIMING: 1979600 CPU: 6243.18, 0.003128/step Wall: 6243.18, 0.003128/step, 2.6244 hours remaining, 238.597656 MB of memory in use. ENERGY: 1979600 3999.9007 20631.4279 14477.0218 235.1161 -203726.5710 2581.0585 0.0000 0.0000 51880.9071 -109921.1389 298.1603 -161802.0460 -109557.5785 298.5598 -143.0826 -112.8150 759102.8792 8.0521 7.8594 PRESSURE: 1979800 370.875 -56.7663 -144.894 -56.7661 145.861 95.2051 -144.895 95.2044 -8.60343 GPRESSURE: 1979800 315.111 -49.4099 -125.518 99.6466 222.047 139.6 -51.8765 35.3296 30.2653 PRESSAVG: 1979800 54.8927 -9.05141 -112.442 -9.0514 -46.9915 37.0254 -112.442 37.0254 6.78384 GPRESSAVG: 1979800 53.8062 -7.43482 -112.316 -9.60713 -46.396 38.4638 -111.95 37.6519 7.02557 TIMING: 1979800 CPU: 6243.81, 0.0031379/step Wall: 6243.81, 0.0031379/step, 2.63252 hours remaining, 238.597656 MB of memory in use. ENERGY: 1979800 4009.5760 20661.2453 14407.4049 251.3605 -203869.9602 2699.0234 0.0000 0.0000 51956.7814 -109884.5686 298.5963 -161841.3501 -109525.3886 298.3492 169.3775 189.1410 758201.3862 4.8950 4.8119 PRESSURE: 1980000 -7.73817 -56.2431 282.212 -56.2434 -561.759 29.5789 282.212 29.5798 120.193 GPRESSURE: 1980000 23.1519 -123.947 165.685 -74.5579 -567.847 52.0922 132.518 46.5834 181.472 PRESSAVG: 1980000 16.55 -37.8468 -8.94193 -37.8468 3.48869 -71.7585 -8.9419 -71.7585 -24.22 GPRESSAVG: 1980000 16.2961 -40.9897 -10.2139 -38.4523 2.622 -72.4486 -10.8766 -72.6217 -23.2338 TIMING: 1980000 CPU: 6244.44, 0.00312416/step Wall: 6244.44, 0.00312416/step, 2.62082 hours remaining, 238.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1980000 3986.2062 20577.8002 14432.4131 247.2830 -203526.2907 2366.7072 0.0000 0.0000 51891.1384 -110024.7426 298.2191 -161915.8810 -109655.9997 298.0495 -149.7682 -121.0743 760613.9715 -1.3938 -1.4385 PRESSURE: 1980200 -188.866 -211.579 -166.295 -211.578 -304.891 -220.634 -166.295 -220.634 -71.4738 GPRESSURE: 1980200 -116.273 -276.269 -179.491 -100.432 -282.61 -154.511 -60.9307 -108.948 -79.5445 PRESSAVG: 1980200 40.8185 -0.56556 -37.2247 -0.565651 -61.0666 -18.6306 -37.2246 -18.6307 4.05114 GPRESSAVG: 1980200 40.9605 1.08379 -35.5484 -0.207723 -60.0851 -18.1411 -34.7414 -17.7474 3.84111 TIMING: 1980200 CPU: 6245.06, 0.00311185/step Wall: 6245.06, 0.00311185/step, 2.61033 hours remaining, 238.597656 MB of memory in use. ENERGY: 1980200 4033.3503 20406.6915 14521.6956 236.9979 -203091.4834 2174.8037 0.0000 0.0000 52017.5193 -109700.4251 298.9454 -161717.9444 -109327.0739 298.0711 -188.4100 -159.4761 760981.3593 -5.3990 -5.0945 LDB: ============= START OF LOAD BALANCING ============== 6257.45 LDB: ============== END OF LOAD BALANCING =============== 6257.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6257.46 LDB: ============= START OF LOAD BALANCING ============== 6257.77 LDB: Largest compute 7058 load 0.032591 is 16.6% of average load 0.196014 LDB: Average compute 0.004377 is 2.2% of average load 0.196014 LDB: TIME 6257.77 LOAD: AVG 0.196014 MAX 0.218851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.113 MB LDB: TIME 6257.77 LOAD: AVG 0.196014 MAX 0.218851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.113 MB LDB: TIME 6257.77 LOAD: AVG 0.196014 MAX 0.218851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.113 MB LDB: ============== END OF LOAD BALANCING =============== 6257.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6257.78 PRESSURE: 1980400 -325.843 -75.6255 -155.41 -75.6245 -57.3498 117.966 -155.41 117.966 -512.704 GPRESSURE: 1980400 -220.355 -48.6081 -63.0247 -88.6172 -92.6368 139.635 -93.8036 222.152 -482.806 PRESSAVG: 1980400 58.02 -8.4625 -17.4663 -8.4626 -49.0757 -19.5317 -17.4663 -19.5317 8.01469 GPRESSAVG: 1980400 57.9776 -9.05363 -17.7703 -7.82543 -49.6339 -19.1445 -17.4196 -19.9809 8.86426 TIMING: 1980400 CPU: 6245.7, 0.0032088/step Wall: 6245.7, 0.0032088/step, 2.69147 hours remaining, 238.910156 MB of memory in use. ENERGY: 1980400 3978.8288 20459.4481 14385.5941 247.2711 -202960.5740 2312.6507 0.0000 0.0000 51977.5153 -109599.2659 298.7155 -161576.7813 -109238.5967 299.1127 -298.6322 -265.2661 759707.3834 5.6530 5.7360 PRESSURE: 1980600 245.488 -164.373 79.409 -164.374 -138.152 -24.4261 79.4092 -24.4262 131.261 GPRESSURE: 1980600 257.782 -134.366 146.09 -145.934 -132.368 -36.1995 9.72372 -45.0681 199.314 PRESSAVG: 1980600 21.2543 -110.053 10.8843 -110.053 -14.5123 -34.8327 10.8842 -34.8326 17.162 GPRESSAVG: 1980600 21.8798 -108.245 12.0451 -111.413 -14.1394 -35.6033 9.39414 -33.3172 16.3445 TIMING: 1980600 CPU: 6246.33, 0.00313867/step Wall: 6246.33, 0.00313867/step, 2.63247 hours remaining, 239.113281 MB of memory in use. ENERGY: 1980600 3985.2406 20619.9432 14429.2924 250.6975 -203134.8377 2504.6807 0.0000 0.0000 51991.8807 -109353.1025 298.7981 -161344.9832 -108986.2041 299.3013 79.5322 108.2426 759989.1381 7.9680 8.0283 PRESSURE: 1980800 67.0994 73.2851 19.4606 73.2859 -150.39 -28.3765 19.4612 -28.375 -143.202 GPRESSURE: 1980800 40.655 19.4268 41.8677 107.911 -130.151 -53.4229 -17.4818 -30.6365 -53.2338 PRESSAVG: 1980800 59.2987 -68.4415 0.23807 -68.4415 -92.303 -6.31493 0.238125 -6.31486 2.76865 GPRESSAVG: 1980800 58.8972 -68.3584 -1.0491 -70.1187 -92.576 -6.17198 1.80488 -6.61344 2.95713 TIMING: 1980800 CPU: 6246.95, 0.00311489/step Wall: 6246.95, 0.00311489/step, 2.61235 hours remaining, 239.113281 MB of memory in use. ENERGY: 1980800 4035.5334 20609.4130 14458.7413 249.2154 -203540.0603 2694.5230 0.0000 0.0000 52240.8810 -109251.7532 300.2291 -161492.6343 -108902.7089 299.7357 -75.4975 -47.5767 760734.7157 -10.0785 -10.2406 PRESSURE: 1981000 -155.493 -49.4002 -29.7891 -49.4006 336.249 60.6126 -29.7887 60.6115 259.484 GPRESSURE: 1981000 4.79487 -84.7139 14.4942 -65.2132 297.918 8.13316 16.3069 6.82432 227.123 PRESSAVG: 1981000 37.3996 -46.5528 12.5272 -46.5528 -11.213 44.4569 12.5272 44.4569 -5.01691 GPRESSAVG: 1981000 37.3198 -49.306 13.9855 -42.0945 -10.6969 44.8689 12.5341 42.9247 -5.14557 TIMING: 1981000 CPU: 6247.58, 0.00313157/step Wall: 6247.58, 0.00313157/step, 2.62617 hours remaining, 239.113281 MB of memory in use. ENERGY: 1981000 3910.4770 20731.1298 14531.6325 254.9071 -203335.2455 2477.1328 0.0000 0.0000 52260.2935 -109169.6727 300.3406 -161429.9662 -108813.1150 299.8122 146.7465 176.6119 762238.9569 7.0565 7.1591 PRESSURE: 1981200 141.352 161.099 44.4623 161.099 242.178 -104.028 44.4625 -104.027 -76.475 GPRESSURE: 1981200 166.669 142.4 38.9881 134.715 259.855 -140.332 61.295 -49.9446 -45.1043 PRESSAVG: 1981200 -23.6843 -12.3606 -14.4228 -12.3606 -6.5751 8.44304 -14.4228 8.44308 -12.5265 GPRESSAVG: 1981200 -23.3193 -10.1562 -16.6986 -14.9318 -7.58508 8.96078 -14.5225 9.84948 -11.8877 TIMING: 1981200 CPU: 6248.2, 0.00312659/step Wall: 6248.2, 0.00312659/step, 2.62182 hours remaining, 239.113281 MB of memory in use. ENERGY: 1981200 3969.0447 20533.0487 14509.4766 238.6048 -203122.0885 2637.4449 0.0000 0.0000 52337.2764 -108897.1924 300.7830 -161234.4688 -108535.2754 300.4320 102.3517 127.1400 761657.0224 -14.2620 -14.2640 PRESSURE: 1981400 -263.246 -60.7885 -45.0914 -60.7878 -140.942 -8.64448 -45.0916 -8.64457 -185.797 GPRESSURE: 1981400 -289.015 -54.1228 -5.94634 -149.709 -83.6445 -50.1471 56.849 -4.29331 -142.426 PRESSAVG: 1981400 24.8182 -16.6661 -52.9762 -16.666 -17.4685 7.6587 -52.9762 7.65868 9.72286 GPRESSAVG: 1981400 23.9923 -17.2319 -52.132 -16.2307 -16.6056 6.9752 -51.9889 7.0133 9.63555 TIMING: 1981400 CPU: 6248.83, 0.00313331/step Wall: 6248.83, 0.00313331/step, 2.62728 hours remaining, 239.113281 MB of memory in use. ENERGY: 1981400 3989.8381 20571.1723 14465.2592 243.2472 -203020.5179 2499.3439 0.0000 0.0000 52193.8639 -109057.7932 299.9589 -161251.6572 -108692.3288 300.1783 -196.6618 -171.6953 762185.9159 5.6909 5.6741 PRESSURE: 1981600 -333.436 135.759 31.1683 135.758 -279.112 193.326 31.168 193.326 0.398608 GPRESSURE: 1981600 -237.309 148.317 30.7571 50.6866 -317.434 232.372 -74.583 97.5221 31.2285 PRESSAVG: 1981600 -8.58235 25.1389 3.00411 25.1388 -39.7653 20.9118 3.0041 20.9118 -2.64955 GPRESSAVG: 1981600 -7.7568 24.495 2.24521 26.5232 -39.9858 22.629 1.68388 21.6401 -2.99332 TIMING: 1981600 CPU: 6249.46, 0.00313303/step Wall: 6249.46, 0.00313303/step, 2.62687 hours remaining, 239.113281 MB of memory in use. ENERGY: 1981600 3986.4131 20526.7673 14496.1561 232.1464 -203285.7657 2637.2333 0.0000 0.0000 52022.4537 -109384.5957 298.9738 -161407.0495 -109026.1306 299.9283 -204.0499 -174.5047 762536.7666 -16.9991 -16.9120 PRESSURE: 1981800 -43.3308 -95.4487 91.0254 -95.4489 134.198 -163.149 91.0254 -163.149 265.6 GPRESSURE: 1981800 -57.2883 -160.08 139.619 -125.432 294.107 -82.189 -0.980351 -15.6472 206.25 PRESSAVG: 1981800 41.6359 -7.90663 46.6932 -7.90665 -30.9092 16.0893 46.6932 16.0894 14.5969 GPRESSAVG: 1981800 40.9196 -7.04987 45.4386 -7.59938 -30.4148 14.7355 45.5968 15.8199 14.4237 TIMING: 1981800 CPU: 6250.09, 0.00315033/step Wall: 6250.09, 0.00315034/step, 2.64121 hours remaining, 239.113281 MB of memory in use. ENERGY: 1981800 3982.5828 20487.5122 14527.7867 263.2392 -203790.9434 2912.9258 0.0000 0.0000 52271.9723 -109344.9244 300.4077 -161616.8967 -108979.7304 299.8285 118.8225 147.6893 762684.6065 8.4412 8.3095 PRESSURE: 1982000 -63.1716 43.1884 192.147 43.1898 64.0457 -47.4102 192.146 -47.4098 354.762 GPRESSURE: 1982000 -21.2011 117.087 174.068 -68.5884 116.48 -62.3207 220.342 -71.7104 325.362 PRESSAVG: 1982000 3.20269 35.2642 -43.6245 35.2643 -1.14319 -71.8364 -43.6244 -71.8364 21.6814 GPRESSAVG: 1982000 3.74288 35.2397 -41.8036 33.7089 -1.58875 -72.1936 -42.6755 -70.7241 20.9597 TIMING: 1982000 CPU: 6250.71, 0.0031271/step Wall: 6250.71, 0.0031271/step, 2.62155 hours remaining, 239.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1982000 3905.8585 20595.9438 14381.5690 250.8222 -203881.8888 3108.0127 0.0000 0.0000 52384.6417 -109255.0409 301.0553 -161639.6826 -108898.3418 299.7338 118.5454 140.2133 763113.2905 7.9136 7.7046 PRESSURE: 1982200 212.101 69.9884 105.176 69.9884 -195.172 127.777 105.177 127.777 -123.868 GPRESSURE: 1982200 100.371 114.329 147.054 92.6501 -97.0778 137.334 37.9527 106.589 -48.7059 PRESSAVG: 1982200 -35.4467 -28.3274 -19.0319 -28.3274 5.23905 -20.5632 -19.0319 -20.5632 -10.033 GPRESSAVG: 1982200 -36.4159 -28.0727 -17.6383 -28.2762 5.50804 -20.4221 -18.9793 -21.1396 -9.63629 TIMING: 1982200 CPU: 6251.34, 0.00316684/step Wall: 6251.34, 0.00316684/step, 2.65469 hours remaining, 239.113281 MB of memory in use. ENERGY: 1982200 3871.5539 20642.3636 14496.7705 257.7141 -203465.1504 2672.7710 0.0000 0.0000 52108.2429 -109415.7343 299.4668 -161523.9772 -109053.3708 299.6302 -35.6463 -15.1376 763142.8531 -13.4135 -13.5147 PRESSURE: 1982400 76.4377 177.573 -8.04734 177.573 -81.0191 29.8732 -8.04836 29.8737 365.422 GPRESSURE: 1982400 189.941 164.285 -49.7367 90.941 -174.391 108.296 -65.6743 91.0672 422.771 PRESSAVG: 1982400 106.595 58.8335 9.93486 58.8335 -71.9747 10.2723 9.9348 10.2724 -13.9651 GPRESSAVG: 1982400 107.335 58.5562 8.51766 58.8617 -71.9619 11.7613 9.31461 7.66517 -14.5479 TIMING: 1982400 CPU: 6251.97, 0.00315069/step Wall: 6251.97, 0.00315069/step, 2.64098 hours remaining, 239.113281 MB of memory in use. ENERGY: 1982400 4011.7909 20523.8479 14443.7177 243.0242 -203775.6823 2990.7154 0.0000 0.0000 52436.4335 -109126.1528 301.3529 -161562.5863 -108776.4888 299.9973 120.2803 146.1071 762192.5418 6.8852 6.9419 PRESSURE: 1982600 -60.8848 71.6083 -216.329 71.6083 -241.726 -69.8117 -216.329 -69.8112 145.801 GPRESSURE: 1982600 4.24656 4.47385 -184.037 99.4301 -158.148 -93.2608 -239.987 -51.6866 84.8184 PRESSAVG: 1982600 36.2644 33.7471 -40.3856 33.7471 -30.9994 -34.3111 -40.3855 -34.311 -7.75456 GPRESSAVG: 1982600 36.6931 34.6031 -42.9471 33.3021 -31.5556 -35.3117 -37.4617 -33.9642 -7.87674 TIMING: 1982600 CPU: 6252.6, 0.00313896/step Wall: 6252.6, 0.00313896/step, 2.63098 hours remaining, 239.113281 MB of memory in use. ENERGY: 1982600 4037.0481 20342.0228 14521.6434 246.8466 -203326.5695 2480.8416 0.0000 0.0000 52485.6400 -109212.5271 301.6357 -161698.1671 -108853.2151 300.2860 -52.2701 -23.0278 761945.1891 -0.8298 -0.9131 PRESSURE: 1982800 -173.767 -14.3858 -219.599 -14.3862 -87.0551 25.7796 -219.599 25.7804 -112.098 GPRESSURE: 1982800 -163.38 -84.4549 -178.051 -89.0848 -125.946 107.894 -112.128 -51.9447 6.46866 PRESSAVG: 1982800 80.4163 49.2885 -45.6761 49.2885 -99.333 7.34099 -45.6761 7.3409 14.451 GPRESSAVG: 1982800 79.1488 48.0182 -43.1574 49.9994 -98.3906 7.30863 -48.2593 8.05197 15.2242 TIMING: 1982800 CPU: 6253.23, 0.00313145/step Wall: 6253.23, 0.00313145/step, 2.6245 hours remaining, 239.113281 MB of memory in use. ENERGY: 1982800 4004.2005 20579.4881 14484.6179 245.5062 -203133.5016 2562.8874 0.0000 0.0000 52056.4454 -109200.3561 299.1691 -161256.8015 -108837.4536 300.1579 -124.3069 -94.2858 760950.5522 -1.4886 -1.3392 PRESSURE: 1983000 -89.7714 70.0978 76.4412 70.0978 -153.358 -112.703 76.4416 -112.704 -108.302 GPRESSURE: 1983000 -22.1363 179.375 -4.68599 35.0074 -122.703 -55.5337 81.2505 -50.5318 -129.421 PRESSAVG: 1983000 -3.08541 57.0986 -76.7931 57.0986 -48.8102 15.1298 -76.7931 15.1298 4.37339 GPRESSAVG: 1983000 -2.05746 56.5218 -76.3268 56.3993 -49.4204 14.7546 -76.5891 17.3424 3.33775 TIMING: 1983000 CPU: 6253.86, 0.00315633/step Wall: 6253.86, 0.00315633/step, 2.64518 hours remaining, 239.113281 MB of memory in use. ENERGY: 1983000 4033.1262 20606.0697 14433.1222 252.1375 -203084.7419 2447.9318 0.0000 0.0000 51989.0628 -109323.2917 298.7819 -161312.3544 -108965.7694 299.4316 -117.1438 -91.4203 760166.0848 -15.8407 -16.0467 PRESSURE: 1983200 24.7023 33.8548 10.9511 33.855 76.4375 47.1492 10.9523 47.1491 56.0223 GPRESSURE: 1983200 24.9577 -49.6442 -11.0267 11.7183 120.985 61.388 -2.69912 80.7784 114.673 PRESSAVG: 1983200 -16.8248 11.9801 -93.7765 11.9801 -0.711282 26.7225 -93.7765 26.7225 -9.07796 GPRESSAVG: 1983200 -17.4964 13.1649 -95.6127 12.3846 -0.566841 26.589 -92.7339 24.8207 -8.15339 TIMING: 1983200 CPU: 6254.49, 0.00314899/step Wall: 6254.49, 0.00314899/step, 2.63885 hours remaining, 239.113281 MB of memory in use. ENERGY: 1983200 4038.8470 20365.6585 14495.3185 242.4689 -203202.9082 2555.0719 0.0000 0.0000 52240.2500 -109265.2933 300.2254 -161505.5433 -108893.4404 299.5985 52.3874 86.8718 760388.0068 -8.8714 -8.7389 PRESSURE: 1983400 51.1351 52.5338 -43.1544 52.5346 -72.5253 103.313 -43.1533 103.313 -39.1152 GPRESSURE: 1983400 146.645 102.793 -107.771 86.5077 -187.129 224.19 103.232 78.5482 78.9515 PRESSAVG: 1983400 -1.10268 12.4526 4.44155 12.4526 -45.9419 12.4092 4.44157 12.4092 15.0804 GPRESSAVG: 1983400 -1.76991 11.0053 7.21379 13.4074 -45.8698 13.3686 3.02983 13.588 15.4247 TIMING: 1983400 CPU: 6255.12, 0.00315615/step Wall: 6255.12, 0.00315615/step, 2.64467 hours remaining, 239.113281 MB of memory in use. ENERGY: 1983400 4035.9525 20318.6085 14450.2543 252.4313 -202896.5076 2498.0737 0.0000 0.0000 52188.8835 -109152.3039 299.9302 -161341.1874 -108786.3921 299.6665 -20.1685 12.8223 760818.7996 -10.6547 -10.7383 PRESSURE: 1983600 -21.1737 137.154 -68.4225 137.154 -104.332 170.451 -68.4222 170.451 67.6807 GPRESSURE: 1983600 31.377 179.006 -136.213 57.0274 -85.8842 114.111 -62.6515 83.4243 74.5976 PRESSAVG: 1983600 -5.44349 20.373 23.3207 20.3729 6.46473 -1.7875 23.3206 -1.78751 7.76866 GPRESSAVG: 1983600 -5.17954 20.5281 22.7775 19.3652 6.46667 -1.43144 25.0586 -1.37581 7.15285 TIMING: 1983600 CPU: 6255.75, 0.00314643/step Wall: 6255.75, 0.00314643/step, 2.63636 hours remaining, 239.113281 MB of memory in use. ENERGY: 1983600 3986.4221 20584.7993 14487.7889 247.0382 -203085.0207 2412.6153 0.0000 0.0000 52230.7713 -109135.5856 300.1710 -161366.3569 -108759.5337 299.6772 -19.2750 6.6968 760809.3820 2.9300 2.8133 PRESSURE: 1983800 -47.1397 -46.9467 204.819 -46.9475 170.539 -82.388 204.819 -82.3868 -2.121 GPRESSURE: 1983800 1.47002 -99.0616 169.303 -133.842 236.374 -134.927 22.4455 -80.7919 -19.3214 PRESSAVG: 1983800 -14.2976 -23.0515 -12.8666 -23.0515 -3.46148 2.47286 -12.8667 2.47284 42.2073 GPRESSAVG: 1983800 -14.331 -23.2544 -14.811 -23.188 -4.23836 1.24487 -14.5621 0.736617 43.5989 TIMING: 1983800 CPU: 6256.38, 0.00314717/step Wall: 6256.38, 0.00314717/step, 2.6368 hours remaining, 239.113281 MB of memory in use. ENERGY: 1983800 3939.9437 20594.6162 14525.6429 240.8206 -203354.9249 2561.3027 0.0000 0.0000 52280.8647 -109211.7341 300.4588 -161492.5989 -108851.7752 299.8465 40.4260 72.8409 759556.4212 8.1494 8.3432 PRESSURE: 1984000 541.297 -104.227 -71.5561 -104.227 119.945 -165.371 -71.5563 -165.371 521.652 GPRESSURE: 1984000 485.239 7.73694 -62.857 -133.081 202.309 -79.0491 14.0507 -180.547 572.748 PRESSAVG: 1984000 3.6978 -27.6292 1.54828 -27.6292 -30.5926 59.4228 1.54828 59.4228 -16.9526 GPRESSAVG: 1984000 4.89103 -26.6851 2.88375 -27.9537 -30.3861 59.7033 0.621041 59.2566 -18.059 TIMING: 1984000 CPU: 6257.01, 0.00314304/step Wall: 6257.01, 0.00314304/step, 2.63317 hours remaining, 239.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1984000 3967.9280 20548.6018 14479.0739 252.8453 -203221.0380 2817.2355 0.0000 0.0000 51969.2573 -109186.0963 298.6680 -161155.3536 -108829.9313 299.5662 394.2981 420.0986 759704.8896 -14.6158 -14.5180 PRESSURE: 1984200 -701.378 161.919 -107.322 161.919 -92.357 -92.4688 -107.321 -92.4676 -210.996 GPRESSURE: 1984200 -618.224 197.214 -59.8782 121.763 -71.8508 13.4766 -16.3236 -84.301 -226.648 PRESSAVG: 1984200 39.1898 55.0171 10.9822 55.0171 -40.0182 16.3207 10.9822 16.3206 12.9372 GPRESSAVG: 1984200 38.4965 52.9547 12.0072 54.8491 -38.099 17.7854 12.1079 15.7982 11.5597 TIMING: 1984200 CPU: 6257.63, 0.00312477/step Wall: 6257.63, 0.00312477/step, 2.61769 hours remaining, 239.113281 MB of memory in use. ENERGY: 1984200 3974.3688 20596.1236 14505.1210 220.9454 -202660.9995 2146.8385 0.0000 0.0000 51987.4395 -109230.1628 298.7725 -161217.6024 -108883.4848 298.9675 -334.9106 -305.5743 760996.3217 4.0362 3.9858 LDB: ============= START OF LOAD BALANCING ============== 6270.03 LDB: ============== END OF LOAD BALANCING =============== 6270.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6270.03 LDB: ============= START OF LOAD BALANCING ============== 6270.34 LDB: Largest compute 7025 load 0.033417 is 17.1% of average load 0.195907 LDB: Average compute 0.004415 is 2.3% of average load 0.195907 LDB: TIME 6270.35 LOAD: AVG 0.195907 MAX 0.22043 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.695 MB LDB: TIME 6270.35 LOAD: AVG 0.195907 MAX 0.22043 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 6270.35 LOAD: AVG 0.195907 MAX 0.22043 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: ============== END OF LOAD BALANCING =============== 6270.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6270.35 PRESSURE: 1984400 -96.4844 -65.382 16.5334 -65.3834 -309.983 -76.5766 16.5338 -76.5763 136.375 GPRESSURE: 1984400 -53.9286 33.0195 7.98287 -163.909 -172.665 -64.4389 50.7084 -166.717 41.8873 PRESSAVG: 1984400 73.5766 -18.7712 39.2065 -18.7713 -50.1946 12.6213 39.2064 12.6213 7.2871 GPRESSAVG: 1984400 74.6773 -16.3753 37.7803 -19.1722 -52.7518 11.6191 38.5837 12.5248 8.49464 TIMING: 1984400 CPU: 6258.27, 0.00319202/step Wall: 6258.27, 0.00319202/step, 2.67385 hours remaining, 239.031250 MB of memory in use. ENERGY: 1984400 3963.4713 20479.0861 14458.2287 245.8198 -203170.0732 2628.3747 0.0000 0.0000 51995.1902 -109399.9024 298.8171 -161395.0926 -109037.5198 299.4752 -90.0308 -61.5689 761488.2692 10.2230 10.1400 PRESSURE: 1984600 -167.18 -15.5698 -4.57173 -15.5703 -28.0001 -49.0702 -4.57133 -49.0706 200.223 GPRESSURE: 1984600 -167.466 86.0388 44.4818 -78.8171 66.3081 -22.936 -47.816 6.35612 188.663 PRESSAVG: 1984600 60.7191 -17.6085 -53.4689 -17.6085 -56.7827 -7.28561 -53.4689 -7.28561 16.7595 GPRESSAVG: 1984600 59.1618 -19.9059 -53.4432 -14.8594 -54.1434 -6.75183 -52.4937 -6.6043 16.0935 TIMING: 1984600 CPU: 6258.9, 0.00313665/step Wall: 6258.9, 0.00313665/step, 2.62729 hours remaining, 239.031250 MB of memory in use. ENERGY: 1984600 3916.9522 20541.9523 14435.2702 243.8376 -203352.7596 2792.5564 0.0000 0.0000 52082.2121 -109339.9787 299.3172 -161422.1909 -108976.3184 299.3942 1.6811 29.1685 759824.9571 6.8986 7.0373 PRESSURE: 1984800 -66.9204 -95.6009 -129.077 -95.601 -165.611 -46.7162 -129.078 -46.7161 -124.976 GPRESSURE: 1984800 -15.1022 -61.3557 -53.4397 -124.684 -167.027 -61.5469 -63.7618 -14.6008 -84.3432 PRESSAVG: 1984800 23.017 27.7205 -13.1191 27.7205 -40.939 0.777546 -13.1191 0.777471 -5.5635 GPRESSAVG: 1984800 23.6374 29.6087 -11.9656 26.6774 -42.3767 0.81904 -11.9024 -0.349841 -4.56036 TIMING: 1984800 CPU: 6259.53, 0.00314248/step Wall: 6259.53, 0.00314248/step, 2.632 hours remaining, 239.031250 MB of memory in use. ENERGY: 1984800 4000.3346 20464.2007 14407.4380 264.8384 -203389.7951 2607.7660 0.0000 0.0000 52342.2178 -109302.9997 300.8114 -161645.2175 -108931.3172 299.5863 -119.1688 -88.8241 760342.4843 -7.8285 -7.7666 PRESSURE: 1985000 203.448 -150.555 -25.1188 -150.555 -49.2631 93.6222 -25.1185 93.6214 -415.479 GPRESSURE: 1985000 244.122 -176.592 86.6396 -188.289 -50.2487 86.9941 -65.8359 169.679 -341.501 PRESSAVG: 1985000 15.4757 -0.315035 -0.895021 -0.315066 -61.9774 11.2537 -0.895035 11.2536 10.187 GPRESSAVG: 1985000 14.9042 -2.69895 -1.51454 1.07326 -61.4646 9.60398 -1.94543 12.3663 9.97791 TIMING: 1985000 CPU: 6260.16, 0.00316806/step Wall: 6260.16, 0.00316806/step, 2.65325 hours remaining, 239.031250 MB of memory in use. ENERGY: 1985000 4033.5589 20446.4788 14364.5548 262.7650 -203126.1385 2659.7736 0.0000 0.0000 52250.6226 -109108.3848 300.2850 -161359.0074 -108740.1729 300.0517 -87.0982 -49.2091 760946.4001 -12.1049 -12.1942 PRESSURE: 1985200 -82.6046 -222.637 -57.9438 -222.637 24.3339 83.0062 -57.9431 83.0065 -228.007 GPRESSURE: 1985200 -13.0631 -261.097 -2.53028 -236.667 -57.5785 -28.9275 -104.349 155.243 -136.219 PRESSAVG: 1985200 4.9403 -33.2771 -15.2839 -33.2771 -11.1286 -27.9224 -15.2839 -27.9224 -36.3162 GPRESSAVG: 1985200 5.13682 -31.1418 -16.2155 -35.2903 -11.1794 -27.4314 -15.1382 -25.7183 -36.578 TIMING: 1985200 CPU: 6260.79, 0.00313948/step Wall: 6260.79, 0.00313948/step, 2.62914 hours remaining, 239.031250 MB of memory in use. ENERGY: 1985200 3964.1323 20598.9965 14447.7916 236.3854 -202857.7042 2436.8763 0.0000 0.0000 52318.9928 -108854.5293 300.6780 -161173.5221 -108495.8146 300.2720 -95.4257 -68.9534 762278.0626 -14.1682 -14.2069 PRESSURE: 1985400 209.513 155.322 -151.083 155.323 -309.148 -82.0138 -151.084 -82.0138 -392.995 GPRESSURE: 1985400 213.031 191.325 -22.2861 176.23 -302.115 -18.696 -16.3976 -74.7368 -310.11 PRESSAVG: 1985400 30.8893 -3.38486 -35.4567 -3.38484 -26.6652 22.632 -35.4567 22.6319 6.51316 GPRESSAVG: 1985400 31.1037 -3.61478 -34.1844 -2.67192 -27.5755 23.6198 -35.3055 22.6522 7.03156 TIMING: 1985400 CPU: 6261.42, 0.00314629/step Wall: 6261.42, 0.00314629/step, 2.63467 hours remaining, 239.031250 MB of memory in use. ENERGY: 1985400 3939.5194 20589.8939 14438.2382 267.5901 -203304.8837 2627.7237 0.0000 0.0000 52295.4768 -109146.4417 300.5428 -161441.9184 -108780.8902 300.2060 -164.2099 -133.0651 761631.4967 3.5791 3.5199 PRESSURE: 1985600 85.6757 162.79 -43.9722 162.791 -93.3321 -74.9528 -43.9726 -74.953 -159.661 GPRESSURE: 1985600 54.6933 78.0243 -17.9801 174.016 -35.9771 -144.936 -223.268 -82.9426 -109.172 PRESSAVG: 1985600 33.2823 32.7238 -16.6902 32.7238 -41.48 -8.93004 -16.6903 -8.9301 37.9174 GPRESSAVG: 1985600 33.6416 33.0273 -18.6196 32.2174 -40.8662 -8.98312 -19.2002 -9.21644 37.0407 TIMING: 1985600 CPU: 6262.04, 0.00313362/step Wall: 6262.04, 0.00313362/step, 2.62388 hours remaining, 239.031250 MB of memory in use. ENERGY: 1985600 3968.0965 20508.9954 14345.8438 242.1225 -202957.8085 2383.8494 0.0000 0.0000 52414.6512 -109094.2497 301.2277 -161508.9009 -108728.7951 300.0316 -55.7725 -30.1518 760842.3044 9.9066 9.9387 PRESSURE: 1985800 -428.697 101.519 53.449 101.518 121.273 50.1286 53.4488 50.1282 -61.1666 GPRESSURE: 1985800 -315.893 175.083 139.933 86.3807 89.2384 100.041 -1.10148 -5.29277 -51.2999 PRESSAVG: 1985800 57.5423 62.047 -13.4515 62.0469 -28.9564 -44.9677 -13.4515 -44.9678 -20.2301 GPRESSAVG: 1985800 57.5436 60.9419 -11.1649 62.7857 -29.7245 -45.3252 -12.7917 -46.0786 -19.1481 TIMING: 1985800 CPU: 6262.67, 0.00313273/step Wall: 6262.67, 0.00313273/step, 2.62296 hours remaining, 239.031250 MB of memory in use. ENERGY: 1985800 4042.8466 20563.9883 14407.2253 272.9996 -203336.3652 2654.3230 0.0000 0.0000 52218.0194 -109176.9631 300.0977 -161394.9824 -108821.6311 300.4075 -122.8635 -92.6514 760840.4321 2.7853 2.8903 PRESSURE: 1986000 -197.359 -224.145 73.4009 -224.145 -54.7416 -59.9571 73.4009 -59.9572 -29.0701 GPRESSURE: 1986000 -152.912 -227.1 143.839 -120.61 -38.6364 -97.3318 -58.4517 -31.2287 -29.4316 PRESSAVG: 1986000 2.50159 -24.3368 -31.689 -24.3369 -9.34272 -46.7008 -31.689 -46.7008 17.6708 GPRESSAVG: 1986000 2.79786 -23.0857 -33.3135 -25.8963 -9.5495 -47.994 -29.5096 -46.0952 16.4536 TIMING: 1986000 CPU: 6263.3, 0.00314737/step Wall: 6263.3, 0.00314737/step, 2.63505 hours remaining, 239.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1986000 4014.5086 20713.4606 14358.3729 245.1231 -203536.3233 2637.9351 0.0000 0.0000 52368.1037 -109198.8193 300.9602 -161566.9231 -108828.5070 299.9321 -93.7234 -73.6599 759897.9798 3.6099 3.2340 PRESSURE: 1986200 -40.3511 171.907 28.2384 171.907 278.128 -47.081 28.2383 -47.0806 189.87 GPRESSURE: 1986200 -11.6026 228.166 11.7798 99.6278 365.692 -2.42995 64.3728 -47.6369 144.448 PRESSAVG: 1986200 20.2615 36.1192 -36.2221 36.1192 -120.516 -11.6852 -36.222 -11.6851 -8.30568 GPRESSAVG: 1986200 19.9068 32.8383 -36.7875 37.1362 -121.385 -11.8383 -38.0353 -9.00509 -7.26391 TIMING: 1986200 CPU: 6263.93, 0.00314563/step Wall: 6263.93, 0.00314563/step, 2.63341 hours remaining, 239.031250 MB of memory in use. ENERGY: 1986200 3956.0894 20759.1106 14471.4430 252.1238 -203402.8138 2555.6596 0.0000 0.0000 52288.5873 -109119.8001 300.5032 -161408.3874 -108763.6595 300.0197 142.5491 166.1794 759828.4894 -36.1867 -36.2472 PRESSURE: 1986400 157.406 18.7807 -104.053 18.7812 125.473 -120.506 -104.053 -120.507 -458.635 GPRESSURE: 1986400 255.581 -14.3606 -78.7344 -79.9475 126.761 -94.7839 -125.643 -152.313 -470.617 PRESSAVG: 1986400 47.1514 9.67668 -65.8923 9.67668 -53.0401 54.5992 -65.8924 54.5992 19.4041 GPRESSAVG: 1986400 47.6417 12.6729 -64.6531 8.36872 -52.3247 56.0993 -65.971 52.8886 18.2881 TIMING: 1986400 CPU: 6264.56, 0.00314881/step Wall: 6264.56, 0.00314881/step, 2.6359 hours remaining, 239.031250 MB of memory in use. ENERGY: 1986400 3994.4360 20704.9406 14467.0067 240.8711 -203398.9537 2556.7073 0.0000 0.0000 52234.2744 -109200.7176 300.1911 -161434.9920 -108844.1173 300.2964 -58.5852 -29.4253 759304.8606 4.5051 4.5350 PRESSURE: 1986600 278.247 -82.7554 -290.125 -82.7545 -123.74 168.554 -290.126 168.555 240.206 GPRESSURE: 1986600 279.693 -23.9349 -231.39 -135.513 -7.71636 162.931 -91.611 91.6071 222.803 PRESSAVG: 1986600 63.393 -27.7494 -57.1588 -27.7494 -57.0914 10.9845 -57.1589 10.9845 12.6833 GPRESSAVG: 1986600 62.2947 -28.9291 -56.7033 -26.822 -56.0005 8.6002 -57.6107 9.96063 12.7749 TIMING: 1986600 CPU: 6265.19, 0.00315162/step Wall: 6265.19, 0.00315163/step, 2.63809 hours remaining, 239.031250 MB of memory in use. ENERGY: 1986600 4010.5610 20675.8238 14462.2149 249.0182 -203603.7236 2737.8039 0.0000 0.0000 52064.3107 -109403.9910 299.2143 -161468.3017 -109038.8057 299.5160 131.5708 164.9265 759072.1663 6.3283 6.3564 PRESSURE: 1986800 79.7291 160.536 145.547 160.536 23.0624 -97.4916 145.547 -97.4927 -133.887 GPRESSURE: 1986800 33.9781 90.5874 125.015 173.162 92.0687 -165.322 89.5054 -228.29 -53.0479 PRESSAVG: 1986800 55.9249 48.2903 -73.0675 48.2903 -36.6038 -3.15031 -73.0675 -3.15032 3.39595 GPRESSAVG: 1986800 55.5099 50.6705 -73.3926 46.0688 -36.7632 -1.372 -72.601 -3.137 4.04821 TIMING: 1986800 CPU: 6265.82, 0.00314756/step Wall: 6265.82, 0.00314756/step, 2.63451 hours remaining, 239.031250 MB of memory in use. ENERGY: 1986800 4035.4911 20654.7039 14396.5070 228.6647 -203651.2768 2626.9106 0.0000 0.0000 51917.7310 -109791.2685 298.3719 -161708.9995 -109445.2364 299.2292 -10.3651 24.3330 761025.1289 7.5723 7.5983 PRESSURE: 1987000 121.413 187.302 -255.1 187.303 230.302 -114.774 -255.099 -114.775 99.002 GPRESSURE: 1987000 245.461 160.343 -227.195 55.8061 117.289 -98.6076 -202.736 47.5197 168.298 PRESSAVG: 1987000 78.9676 27.3451 -50.6104 27.345 -106.802 -26.5628 -50.6104 -26.5629 21.9702 GPRESSAVG: 1987000 80.4945 24.1582 -51.0782 29.837 -108.281 -27.612 -49.1784 -26.1454 22.0346 TIMING: 1987000 CPU: 6266.45, 0.00314209/step Wall: 6266.45, 0.00314209/step, 2.62976 hours remaining, 239.031250 MB of memory in use. ENERGY: 1987000 3944.0047 20618.8525 14453.2173 243.6051 -203657.5480 2733.0679 0.0000 0.0000 52085.9773 -109578.8232 299.3388 -161664.8005 -109216.9665 299.3388 150.2389 177.0161 759291.7056 -1.9546 -1.9172 PRESSURE: 1987200 -27.4055 -111.92 200.929 -111.92 -111.529 -152.699 200.929 -152.698 6.10903 GPRESSURE: 1987200 43.198 -74.7736 193.388 -90.9495 -19.1643 -138.478 195.087 -32.8127 -50.1444 PRESSAVG: 1987200 83.6841 -19.5728 -71.0824 -19.5729 -51.0882 -25.1094 -71.0823 -25.1093 -7.31623 GPRESSAVG: 1987200 83.4402 -19.3069 -70.4291 -21.3195 -49.5253 -22.8518 -72.1689 -26.5531 -8.46982 TIMING: 1987200 CPU: 6267.08, 0.00315716/step Wall: 6267.08, 0.00315716/step, 2.64219 hours remaining, 239.031250 MB of memory in use. ENERGY: 1987200 4056.2240 20664.3675 14389.5294 248.6743 -203374.0380 2682.5724 0.0000 0.0000 51695.3351 -109637.3352 297.0938 -161332.6703 -109284.7374 299.1657 -44.2751 -8.7036 762450.7379 8.4265 8.4817 PRESSURE: 1987400 42.2334 87.7647 -68.7197 87.7642 10.0017 130.153 -68.7189 130.154 99.0088 GPRESSURE: 1987400 108.485 222.851 -104.318 114.396 -73.9806 -1.71535 20.504 168.372 166.775 PRESSAVG: 1987400 26.2119 9.49664 11.1082 9.49667 -30.7428 -18.8501 11.1082 -18.8502 13.3622 GPRESSAVG: 1987400 25.804 10.1197 10.7152 11.1667 -31.3738 -22.1004 10.5792 -16.7344 13.9408 TIMING: 1987400 CPU: 6267.71, 0.0031309/step Wall: 6267.71, 0.0031309/step, 2.62004 hours remaining, 239.031250 MB of memory in use. ENERGY: 1987400 4062.1979 20492.9684 14400.5087 240.4599 -203363.0026 2493.1866 0.0000 0.0000 52021.4926 -109652.1884 298.9682 -161673.6811 -109288.7106 298.6783 50.4146 67.0930 761344.9003 2.9437 2.7903 PRESSURE: 1987600 77.3019 -13.4121 167.248 -13.4127 -103.768 -44.3254 167.249 -44.3258 -86.2131 GPRESSURE: 1987600 41.9018 86.9638 109.699 -138.476 -24.2415 -40.6726 -29.3941 57.0429 -43.2206 PRESSAVG: 1987600 -37.8801 -15.6883 19.6765 -15.6883 9.82043 -22.7993 19.6765 -22.7993 -15.9999 GPRESSAVG: 1987600 -39.1953 -13.0691 18.9368 -18.0631 10.5179 -20.9374 19.0619 -24.3763 -15.5946 TIMING: 1987600 CPU: 6268.33, 0.00312289/step Wall: 6268.33, 0.00312289/step, 2.61316 hours remaining, 239.031250 MB of memory in use. ENERGY: 1987600 3946.1817 20616.9661 14448.1364 251.6041 -203331.0145 2452.7463 0.0000 0.0000 51634.0733 -109981.3066 296.7417 -161615.3798 -109613.6894 298.5517 -37.5596 -8.5201 759418.2609 -14.6865 -14.7573 PRESSURE: 1987800 -70.6069 -29.4121 -144.141 -29.4124 -590.285 188.164 -144.142 188.164 -109.459 GPRESSURE: 1987800 -67.9948 17.0574 -103.776 -1.58139 -533.895 114.728 -99.8363 174.867 -75.7485 PRESSAVG: 1987800 -4.46694 -33.3742 25.511 -33.3743 -31.3393 10.6413 25.511 10.6413 -0.534691 GPRESSAVG: 1987800 -4.05973 -34.368 25.5681 -31.5995 -32.3059 9.88666 26.3133 10.4938 -0.0614116 TIMING: 1987800 CPU: 6268.96, 0.00313916/step Wall: 6268.96, 0.00313916/step, 2.62661 hours remaining, 239.031250 MB of memory in use. ENERGY: 1987800 3943.2430 20472.7124 14406.6225 231.0521 -203361.4652 2346.3870 0.0000 0.0000 51839.6533 -110121.7950 297.9232 -161961.4482 -109756.2438 297.9140 -256.7836 -225.8795 760632.1469 -12.1136 -12.1424 PRESSURE: 1988000 -0.774584 -82.7344 48.4788 -82.7338 -232.456 238.885 48.4794 238.885 -68.5181 GPRESSURE: 1988000 135.71 -87.5863 -18.991 -159.154 -245.471 139.036 140.629 252.606 -104.809 PRESSAVG: 1988000 19.1119 -63.0487 8.49705 -63.0486 -14.1357 -12.6031 8.49705 -12.6031 -6.88281 GPRESSAVG: 1988000 21.5556 -64.6649 9.3107 -63.7383 -14.436 -13.2806 7.96214 -11.3424 -8.92434 TIMING: 1988000 CPU: 6269.59, 0.00314569/step Wall: 6269.59, 0.00314569/step, 2.6319 hours remaining, 239.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1988000 3959.1557 20501.7509 14477.1157 228.2180 -203413.0515 2458.1447 0.0000 0.0000 51877.9062 -109910.7603 298.1430 -161788.6665 -109549.6511 298.5362 -100.5830 -71.5235 759929.3431 -0.6356 -0.6016 PRESSURE: 1988200 -143.652 1.81945 150.679 1.81969 237.687 -177.01 150.679 -177.009 37.5806 GPRESSURE: 1988200 -33.5222 41.4098 132.547 37.5048 156.696 -243.092 105.795 -10.9857 80.8936 PRESSAVG: 1988200 11.6685 -23.7411 53.1642 -23.741 -30.6473 60.3978 53.1642 60.3978 -1.01407 GPRESSAVG: 1988200 11.9733 -22.1583 53.9671 -24.9651 -31.6689 60.5647 51.6317 59.2833 -0.184208 TIMING: 1988200 CPU: 6270.21, 0.00311804/step Wall: 6270.21, 0.00311804/step, 2.60859 hours remaining, 239.031250 MB of memory in use. ENERGY: 1988200 3913.3938 20364.8707 14492.2214 248.9107 -203882.1906 2881.4501 0.0000 0.0000 51957.6350 -110023.7089 298.6012 -161981.3439 -109650.7625 298.3539 43.8717 68.0224 760168.5909 -6.6643 -6.6266 LDB: ============= START OF LOAD BALANCING ============== 6282.6 LDB: ============== END OF LOAD BALANCING =============== 6282.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6282.61 LDB: ============= START OF LOAD BALANCING ============== 6282.92 LDB: Largest compute 7058 load 0.033033 is 16.9% of average load 0.196021 LDB: Average compute 0.004390 is 2.2% of average load 0.196021 LDB: TIME 6282.93 LOAD: AVG 0.196021 MAX 0.216547 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.793 MB LDB: TIME 6282.93 LOAD: AVG 0.196021 MAX 0.216547 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.996 MB LDB: TIME 6282.93 LOAD: AVG 0.196021 MAX 0.216547 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.996 MB LDB: ============== END OF LOAD BALANCING =============== 6282.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6282.93 PRESSURE: 1988400 -207.148 156.441 20.8696 156.44 36.6393 22.4683 20.8694 22.4666 -14.5242 GPRESSURE: 1988400 -144.444 89.1008 101.279 52.9493 112.819 -6.09866 -46.2437 -69.1089 -68.6335 PRESSAVG: 1988400 81.0405 -68.216 28.2558 -68.2159 -57.2214 9.81454 28.2558 9.8145 -4.93195 GPRESSAVG: 1988400 79.9147 -68.2004 27.2547 -67.4696 -55.7196 9.25375 30.0354 8.95631 -4.98465 TIMING: 1988400 CPU: 6270.85, 0.00319883/step Wall: 6270.85, 0.00319883/step, 2.676 hours remaining, 237.886719 MB of memory in use. ENERGY: 1988400 3970.4122 20551.6798 14443.5420 244.5307 -203589.6802 2504.1860 0.0000 0.0000 51825.5790 -110049.7505 297.8423 -161875.3295 -109700.1268 298.0312 -61.6777 -33.4193 761077.7894 6.2957 6.4035 PRESSURE: 1988600 -253.026 -199.635 -59.5528 -199.635 51.8437 -142.233 -59.5523 -142.233 3.36349 GPRESSURE: 1988600 -196.849 -176.875 -37.2011 -201.176 31.9681 -147.849 -92.879 -73.8692 47.4391 PRESSAVG: 1988600 55.2112 -61.3329 -13.8195 -61.3328 -66.1312 15.2675 -13.8195 15.2675 14.0267 GPRESSAVG: 1988600 56.0027 -61.0677 -15.4246 -63.3809 -66.8322 17.1012 -13.1299 15.1456 14.3192 TIMING: 1988600 CPU: 6271.48, 0.0031377/step Wall: 6271.48, 0.0031377/step, 2.62468 hours remaining, 237.886719 MB of memory in use. ENERGY: 1988600 3937.6997 20505.7540 14444.8918 231.4569 -203335.9618 2510.7444 0.0000 0.0000 51966.9847 -109738.4304 298.6550 -161705.4151 -109370.9388 298.2549 -65.9397 -39.1472 762093.2648 1.0356 1.1632 PRESSURE: 1988800 -24.2455 56.8256 109.225 56.8245 251.956 -6.92291 109.226 -6.92359 89.4183 GPRESSURE: 1988800 -12.0084 5.38101 93.6231 9.49931 230.063 -40.386 81.2708 4.48568 184.961 PRESSAVG: 1988800 64.9002 -32.7255 30.7798 -32.7255 -37.155 -1.00451 30.7798 -1.00451 -28.5907 GPRESSAVG: 1988800 62.3596 -33.4322 31.4766 -29.6917 -35.0874 -1.54929 28.3737 -1.86015 -28.8635 TIMING: 1988800 CPU: 6272.11, 0.00315853/step Wall: 6272.11, 0.00315853/step, 2.64193 hours remaining, 237.886719 MB of memory in use. ENERGY: 1988800 3942.0408 20708.3312 14320.4982 234.6558 -203352.7475 2521.7013 0.0000 0.0000 51872.1871 -109753.3331 298.1102 -161625.5202 -109403.0764 298.5112 105.7097 134.3384 761745.8011 -0.2818 -0.5304 PRESSURE: 1989000 -63.8748 214.578 -134.476 214.579 -19.8105 -170.207 -134.477 -170.207 -251.109 GPRESSURE: 1989000 -6.0294 252.865 -143.469 144.344 -116.414 -66.162 -124.912 -121.426 -115.491 PRESSAVG: 1989000 39.9785 -2.4051 11.443 -2.40508 15.7514 14.5667 11.4429 14.5668 -14.4472 GPRESSAVG: 1989000 41.1903 -1.37878 11.0886 -3.40896 14.0199 15.2277 13.0428 16.1124 -13.7986 TIMING: 1989000 CPU: 6272.74, 0.00316782/step Wall: 6272.74, 0.00316782/step, 2.64953 hours remaining, 237.886719 MB of memory in use. ENERGY: 1989000 3883.5128 20485.7535 14464.2973 232.2413 -203477.4105 2599.0736 0.0000 0.0000 51805.2077 -110007.3243 297.7252 -161812.5320 -109656.9141 298.3338 -111.5981 -79.3115 761435.7821 13.7609 13.8038 PRESSURE: 1989200 -138.412 164.528 -229.624 164.528 88.0129 -155.406 -229.625 -155.405 341.833 GPRESSURE: 1989200 -117.829 152.992 -139.468 150.473 107.903 -64.5861 -216.723 -236.49 394.714 PRESSAVG: 1989200 74.6534 -10.1169 -11.7524 -10.1169 -77.0598 -8.46952 -11.7524 -8.46954 -7.02588 GPRESSAVG: 1989200 74.9027 -9.27244 -11.192 -10.3132 -77.6469 -10.1779 -9.11283 -8.90448 -6.57817 TIMING: 1989200 CPU: 6273.37, 0.00314861/step Wall: 6273.37, 0.00314861/step, 2.63329 hours remaining, 237.886719 MB of memory in use. ENERGY: 1989200 3985.0394 20486.0499 14458.3744 237.7823 -203791.4012 2791.0009 0.0000 0.0000 52008.0721 -109825.0821 298.8911 -161833.1542 -109469.5037 298.7299 97.1447 128.2627 759463.5722 -3.1441 -3.1075 PRESSURE: 1989400 -28.0161 -60.5676 3.48614 -60.5669 -124.626 10.0216 3.48659 10.022 -199.807 GPRESSURE: 1989400 36.1495 -20.8728 -7.80773 -55.6756 24.2131 27.0231 -33.6742 52.6991 -329.561 PRESSAVG: 1989400 42.7041 -20.1657 -16.965 -20.1658 -43.7257 -46.1231 -16.965 -46.123 -12.5648 GPRESSAVG: 1989400 43.6809 -21.4284 -15.9938 -18.0266 -43.1547 -45.0158 -22.6932 -45.6201 -13.9806 TIMING: 1989400 CPU: 6274, 0.00314468/step Wall: 6274, 0.00314467/step, 2.62982 hours remaining, 237.886719 MB of memory in use. ENERGY: 1989400 3908.2929 20531.6634 14512.1313 245.6300 -203349.1235 2489.8549 0.0000 0.0000 51907.9931 -109753.5579 298.3159 -161661.5510 -109389.6320 298.5274 -117.4831 -89.7328 760673.9393 -4.5288 -4.4848 PRESSURE: 1989600 106.644 -60.2166 -83.8734 -60.2165 193.168 -82.3811 -83.8733 -82.3809 -214.539 GPRESSURE: 1989600 180.026 -21.5047 -96.4611 -71.5885 213.887 -38.231 -112.618 10.707 -212.652 PRESSAVG: 1989600 60.8753 -48.0346 -17.6146 -48.0345 -40.5618 6.95698 -17.6146 6.95697 -11.755 GPRESSAVG: 1989600 60.5335 -47.8821 -17.4954 -49.7762 -40.8155 5.64328 -15.8204 6.90686 -11.2831 TIMING: 1989600 CPU: 6274.63, 0.00314731/step Wall: 6274.63, 0.00314731/step, 2.63185 hours remaining, 237.886719 MB of memory in use. ENERGY: 1989600 3996.1062 20449.2637 14391.4206 269.3379 -203733.6387 2819.0527 0.0000 0.0000 51949.5107 -109858.9469 298.5546 -161808.4576 -109498.2294 298.5318 28.4239 60.4206 760998.3602 2.8528 2.8116 PRESSURE: 1989800 383.745 -137.949 -27.3736 -137.948 224.341 -37.2353 -27.3742 -37.2346 -173.337 GPRESSURE: 1989800 394.251 -82.6194 62.9888 -263.395 242.878 -37.945 142.303 91.9604 -134.312 PRESSAVG: 1989800 109.978 -50.7935 -5.18387 -50.7935 -40.8859 15.024 -5.18387 15.024 3.87112 GPRESSAVG: 1989800 109.737 -50.9777 -5.37649 -49.9236 -40.7137 16.3615 -5.99836 14.4267 4.1802 TIMING: 1989800 CPU: 6275.26, 0.00316593/step Wall: 6275.26, 0.00316593/step, 2.64724 hours remaining, 237.886719 MB of memory in use. ENERGY: 1989800 3939.5779 20659.7231 14422.5524 245.2481 -203698.6502 2613.4089 0.0000 0.0000 51907.8062 -109910.3336 298.3149 -161818.1398 -109552.4797 298.4838 144.9163 167.6057 759888.9658 24.3209 24.4010 PRESSURE: 1990000 182.414 -77.0673 -5.61833 -77.0672 168.458 106.871 -5.61817 106.871 79.1307 GPRESSURE: 1990000 282.523 -8.68703 -39.4845 -32.4539 121.996 113.321 -37.3301 59.0477 106.132 PRESSAVG: 1990000 55.6954 -54.1892 -35.4811 -54.1892 -77.205 6.21852 -35.481 6.21851 11.0216 GPRESSAVG: 1990000 55.8363 -54.1027 -36.0714 -54.7802 -77.681 5.3994 -32.8097 5.78188 10.9203 TIMING: 1990000 CPU: 6275.89, 0.00315263/step Wall: 6275.89, 0.00315263/step, 2.63595 hours remaining, 237.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1990000 3989.8335 20565.5141 14427.3512 243.4729 -203583.6707 2510.2107 0.0000 0.0000 51963.4106 -109883.8778 298.6344 -161847.2884 -109523.7736 297.9674 143.3343 170.2169 760045.5113 -3.4960 -3.6415 PRESSURE: 1990200 150.51 83.3582 -151.091 83.3587 172.315 -64.9129 -151.091 -64.9131 573.574 GPRESSURE: 1990200 196.954 37.1628 -250.332 61.62 311.093 -1.96602 -157.503 -38.7341 465.688 PRESSAVG: 1990200 1.58686 -66.4451 -28.8526 -66.445 -6.84434 22.1145 -28.8525 22.1145 16.0079 GPRESSAVG: 1990200 0.409853 -67.8355 -29.3145 -66.405 -5.70088 23.845 -29.5988 22.3064 15.9553 TIMING: 1990200 CPU: 6276.52, 0.00313991/step Wall: 6276.52, 0.00313991/step, 2.62514 hours remaining, 237.886719 MB of memory in use. ENERGY: 1990200 3968.4178 20586.0426 14445.3977 244.8259 -203656.7395 2700.6242 0.0000 0.0000 51981.6207 -109729.8108 298.7391 -161711.4315 -109364.3485 298.7607 298.7996 324.5781 758941.1828 3.5835 3.5548 PRESSURE: 1990400 -12.5684 -98.7643 45.0347 -98.7647 336.656 225.919 45.0347 225.919 -39.197 GPRESSURE: 1990400 19.659 -119.102 56.999 -49.5473 339.473 146.429 -36.3342 281.793 -14.0611 PRESSAVG: 1990400 55.0565 -32.3738 -60.8239 -32.3737 -37.2706 14.8035 -60.8239 14.8034 6.81351 GPRESSAVG: 1990400 55.6582 -32.2991 -61.5338 -31.4236 -37.6369 13.1051 -62.194 16.5287 6.65348 TIMING: 1990400 CPU: 6277.15, 0.00313748/step Wall: 6277.15, 0.00313748/step, 2.62294 hours remaining, 237.886719 MB of memory in use. ENERGY: 1990400 4015.2218 20349.0047 14485.2206 232.2642 -203652.8132 2850.1416 0.0000 0.0000 51932.1399 -109788.8204 298.4547 -161720.9603 -109427.1027 298.7522 94.9635 115.0235 759969.6220 8.1998 8.2249 PRESSURE: 1990600 268.435 -192.531 87.0107 -192.531 411.969 -298.503 87.0111 -298.502 228.188 GPRESSURE: 1990600 374.219 -106.606 2.68287 -324.104 376.921 -301.944 129.359 -286.99 242.652 PRESSAVG: 1990600 6.56393 -16.6367 -9.9703 -16.6367 -18.5976 -16.7934 -9.97032 -16.7935 13.31 GPRESSAVG: 1990600 6.81373 -17.2928 -10.4287 -18.3199 -18.1029 -14.2233 -8.65235 -21.0159 13.1463 TIMING: 1990600 CPU: 6277.78, 0.00314749/step Wall: 6277.78, 0.00314749/step, 2.63113 hours remaining, 237.886719 MB of memory in use. ENERGY: 1990600 4028.6960 20563.7735 14400.9674 237.7675 -203832.8528 2990.7566 0.0000 0.0000 51953.3857 -109657.5061 298.5768 -161610.8918 -109304.3423 298.7344 302.8641 331.2642 760517.4555 0.4254 0.6190 PRESSURE: 1990800 11.7544 -49.3419 119.676 -49.3417 -11.4905 -67.3087 119.676 -67.3087 32.9547 GPRESSURE: 1990800 139.869 -41.6698 114.17 -12.1216 6.26052 -43.1585 116.31 -1.85963 -30.0785 PRESSAVG: 1990800 4.20778 -5.56867 6.60445 -5.56866 -26.3873 -23.8501 6.60446 -23.8501 19.4112 GPRESSAVG: 1990800 6.0013 -5.35083 7.32307 -3.86821 -27.8188 -27.3375 6.8376 -19.5946 19.447 TIMING: 1990800 CPU: 6278.42, 0.00318005/step Wall: 6278.42, 0.00318005/step, 2.65817 hours remaining, 237.886719 MB of memory in use. ENERGY: 1990800 3969.0210 20450.8051 14461.2671 242.2206 -203474.0571 2600.8322 0.0000 0.0000 52203.7653 -109546.1458 300.0158 -161749.9111 -109179.8446 299.1380 11.0729 38.6837 760940.8763 -0.9228 -0.7902 PRESSURE: 1991000 407.03 -177.086 -74.9629 -177.086 48.0616 -87.4933 -74.9629 -87.4936 -102.747 GPRESSURE: 1991000 442.677 -203.162 -56.3062 -95.7045 76.7523 -76.5334 -25.3796 0.243399 -79.4197 PRESSAVG: 1991000 49.0183 -32.1139 -4.74775 -32.1139 -69.4328 -24.6292 -4.74777 -24.6292 -2.04017 GPRESSAVG: 1991000 46.4824 -32.1702 -4.77874 -30.8952 -67.5513 -26.0879 -6.61334 -25.227 -1.20684 TIMING: 1991000 CPU: 6279.05, 0.00317934/step Wall: 6279.05, 0.00317934/step, 2.6574 hours remaining, 237.886719 MB of memory in use. ENERGY: 1991000 3906.3725 20529.1200 14500.2431 241.2839 -203285.6768 2773.5124 0.0000 0.0000 51977.5000 -109357.6449 298.7154 -161335.1449 -109000.9657 299.4079 117.4481 146.6699 761139.9570 -7.4849 -7.4252 PRESSURE: 1991200 -55.8671 13.1634 10.9937 13.1635 52.2818 225.593 10.993 225.593 412.696 GPRESSURE: 1991200 -21.9449 42.1711 52.274 -11.6795 153.999 282.649 -94.1794 249.901 363.569 PRESSAVG: 1991200 41.3669 -36.7427 -23.9231 -36.7427 -24.6519 -24.2532 -23.9232 -24.2532 6.62737 GPRESSAVG: 1991200 40.9567 -34.4439 -24.7987 -39.5587 -25.2875 -20.4171 -21.706 -25.0606 7.21317 TIMING: 1991200 CPU: 6279.68, 0.00316064/step Wall: 6279.68, 0.00316064/step, 2.6416 hours remaining, 237.886719 MB of memory in use. ENERGY: 1991200 3940.9231 20499.6647 14457.8123 224.1899 -203344.7338 2685.6516 0.0000 0.0000 52146.6135 -109389.8786 299.6873 -161536.4921 -109023.5150 299.4557 136.3703 165.2078 761252.5311 7.7808 7.6275 PRESSURE: 1991400 121.111 -64.9926 -254.173 -64.9937 241.506 -95.0173 -254.172 -95.018 299.292 GPRESSURE: 1991400 159.141 -141.574 -139.015 -105.767 282.456 -84.8766 -229.847 -281.546 300.203 PRESSAVG: 1991400 6.27164 -20.8143 -4.413 -20.8143 -52.3258 -33.2802 -4.41303 -33.2803 -15.4706 GPRESSAVG: 1991400 7.62634 -22.8588 -3.83356 -18.4698 -52.847 -34.2684 -4.33976 -34.4639 -16.408 TIMING: 1991400 CPU: 6280.31, 0.00313866/step Wall: 6280.31, 0.00313866/step, 2.62305 hours remaining, 237.886719 MB of memory in use. ENERGY: 1991400 4030.2763 20597.0364 14529.6525 239.8630 -203484.7045 2644.7382 0.0000 0.0000 51978.4239 -109464.7142 298.7207 -161443.1382 -109109.3982 299.8676 220.6362 247.2666 759993.1887 -20.5083 -20.5429 PRESSURE: 1991600 177.713 128.287 -21.9909 128.287 37.947 107.937 -21.9908 107.937 211.492 GPRESSURE: 1991600 263.435 144.219 -126.044 58.0654 -18.3756 56.09 -13.0838 62.7655 272.4 PRESSAVG: 1991600 52.4429 -29.1225 13.9883 -29.1225 -45.1515 -26.523 13.9883 -26.523 17.8404 GPRESSAVG: 1991600 52.2058 -27.0654 13.9261 -30.9995 -45.1197 -25.9169 13.3476 -28.5396 17.5891 TIMING: 1991600 CPU: 6280.94, 0.00316008/step Wall: 6280.94, 0.00316008/step, 2.64078 hours remaining, 237.886719 MB of memory in use. ENERGY: 1991600 3910.3915 20432.4801 14480.8227 244.0770 -203360.6151 2579.3989 0.0000 0.0000 52313.4699 -109399.9749 300.6462 -161713.4448 -109028.7628 299.6997 142.3839 172.4864 761401.4021 8.3773 8.2251 PRESSURE: 1991800 -404.403 71.2635 -4.60849 71.2634 -0.568972 68.3681 -4.60886 68.3671 213.731 GPRESSURE: 1991800 -219.957 31.6689 -13.7611 75.8518 -66.5364 31.3642 -36.1721 119.443 164.429 PRESSAVG: 1991800 80.6106 -6.14773 -13.8754 -6.14771 -77.0298 17.8664 -13.8754 17.8663 -1.96605 GPRESSAVG: 1991800 80.1415 -7.84868 -14.0407 -5.7174 -77.4377 16.7231 -13.8694 21.0464 -1.36344 TIMING: 1991800 CPU: 6281.57, 0.00314557/step Wall: 6281.57, 0.00314557/step, 2.62848 hours remaining, 237.886719 MB of memory in use. ENERGY: 1991800 3957.1352 20546.8457 14398.4401 226.4499 -203424.9302 2564.5486 0.0000 0.0000 52126.9719 -109604.5389 299.5744 -161731.5108 -109236.9462 298.9408 -63.7470 -40.6883 761112.2005 0.5383 0.4468 PRESSURE: 1992000 94.3013 33.0745 107.455 33.0747 -360.133 -216.909 107.456 -216.908 -115.353 GPRESSURE: 1992000 73.6153 51.0962 91.2561 -107.648 -299.587 -242.839 122.059 -157.612 -69.4696 PRESSAVG: 1992000 102.825 -0.97284 -8.94438 -0.972842 -117.066 26.6271 -8.94438 26.6272 -7.27203 GPRESSAVG: 1992000 102.356 0.655546 -11.1623 -2.56747 -116.828 25.6266 -8.00389 26.8302 -7.06142 TIMING: 1992000 CPU: 6282.2, 0.00314032/step Wall: 6282.2, 0.00314032/step, 2.62391 hours remaining, 237.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1992000 3974.7008 20562.5282 14488.8709 242.6412 -203408.8803 2655.7703 0.0000 0.0000 51914.4322 -109569.9367 298.3530 -161484.3689 -109198.1731 298.8582 -127.0617 -98.4804 759855.5631 -7.1711 -7.1779 PRESSURE: 1992200 -39.9375 -92.4486 -59.8605 -92.4485 -285.873 74.2296 -59.8606 74.2301 -257.452 GPRESSURE: 1992200 29.8164 0.132169 -32.7146 -127.788 -198.576 101.508 -30.9148 72.7238 -315.622 PRESSAVG: 1992200 50.7795 -40.999 -17.5415 -40.999 -46.1846 -3.13953 -17.5415 -3.13949 -1.35186 GPRESSAVG: 1992200 50.6163 -38.5755 -16.4759 -40.275 -45.1168 -3.64513 -19.5742 -3.35744 -1.53348 TIMING: 1992200 CPU: 6282.83, 0.0031623/step Wall: 6282.83, 0.0031623/step, 2.6421 hours remaining, 237.886719 MB of memory in use. ENERGY: 1992200 4024.5655 20420.7110 14501.3400 235.8692 -203522.9119 2525.8470 0.0000 0.0000 51981.8249 -109832.7544 298.7403 -161814.5792 -109467.1828 298.9262 -194.4209 -161.4604 759709.6964 1.0810 1.3220 LDB: ============= START OF LOAD BALANCING ============== 6295.23 LDB: ============== END OF LOAD BALANCING =============== 6295.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6295.23 LDB: ============= START OF LOAD BALANCING ============== 6295.55 LDB: Largest compute 7068 load 0.032977 is 16.8% of average load 0.196070 LDB: Average compute 0.004408 is 2.2% of average load 0.196070 LDB: TIME 6295.55 LOAD: AVG 0.19607 MAX 0.217424 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.031 MB LDB: TIME 6295.55 LOAD: AVG 0.19607 MAX 0.217424 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.035 MB LDB: TIME 6295.55 LOAD: AVG 0.19607 MAX 0.217424 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.035 MB LDB: ============== END OF LOAD BALANCING =============== 6295.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6295.56 PRESSURE: 1992400 -218.446 -20.843 39.5723 -20.8429 25.9135 123.236 39.5725 123.236 -147.127 GPRESSURE: 1992400 -151.081 -81.2111 122.344 -22.8073 0.814664 208.95 28.7769 100.346 -113.779 PRESSAVG: 1992400 83.7371 -55.1033 41.2276 -55.1034 -80.1872 -28.8848 41.2276 -28.8849 8.41933 GPRESSAVG: 1992400 84.3102 -59.0253 42.1937 -54.3001 -81.474 -26.8599 41.3039 -31.6513 8.47088 TIMING: 1992400 CPU: 6283.48, 0.0032266/step Wall: 6283.48, 0.0032266/step, 2.69565 hours remaining, 239.121094 MB of memory in use. ENERGY: 1992400 4076.6802 20547.8749 14444.0972 258.2326 -203342.0059 2298.3697 0.0000 0.0000 51870.0249 -109846.7263 298.0977 -161716.7512 -109491.0585 298.1533 -113.2197 -88.0154 759021.1918 3.9897 3.7690 PRESSURE: 1992600 56.8277 -219.468 127.313 -219.468 -44.9323 -113.441 127.314 -113.44 -126.554 GPRESSURE: 1992600 128.736 -159.407 61.2261 -158.371 -48.3916 -132.968 105.097 -71.8662 -108.011 PRESSAVG: 1992600 102.536 -44.7778 -10.1935 -44.7778 -72.7307 -9.90866 -10.1934 -9.90872 4.75481 GPRESSAVG: 1992600 102.751 -44.5365 -10.4131 -42.3946 -73.4788 -12.4299 -7.67725 -8.50266 5.32366 TIMING: 1992600 CPU: 6284.11, 0.00314746/step Wall: 6284.11, 0.00314746/step, 2.62935 hours remaining, 239.324219 MB of memory in use. ENERGY: 1992600 4020.8056 20527.3416 14459.6326 249.6254 -203488.1321 2560.8508 0.0000 0.0000 51850.8548 -109819.0214 297.9876 -161669.8762 -109462.5547 298.9618 -38.2196 -9.2222 760216.8983 11.5202 11.5321 PRESSURE: 1992800 -222.474 102.575 -210.888 102.575 14.3907 310.023 -210.888 310.022 54.6836 GPRESSURE: 1992800 -77.8052 22.2925 -133.188 16.4077 -34.9541 296.142 -254.609 256.813 37.7832 PRESSAVG: 1992800 27.655 -75.9324 -34.081 -75.9324 27.9201 -22.0404 -34.0811 -22.0405 8.20464 GPRESSAVG: 1992800 28.5391 -75.5364 -36.0062 -77.732 28.0041 -20.9648 -36.5895 -22.9094 7.53003 TIMING: 1992800 CPU: 6284.74, 0.00314663/step Wall: 6284.74, 0.00314663/step, 2.62848 hours remaining, 239.324219 MB of memory in use. ENERGY: 1992800 3935.6236 20662.2067 14423.8671 223.9249 -203885.0952 2672.4783 0.0000 0.0000 52147.5345 -109819.4600 299.6926 -161966.9946 -109451.8018 298.5536 -51.1331 -24.9920 760875.1095 21.2599 21.3577 PRESSURE: 1993000 -320.2 -28.6257 -158.339 -28.6256 -316.744 -88.7113 -158.339 -88.7112 0.0794175 GPRESSURE: 1993000 -291.315 -94.6034 -169.84 -93.0867 -260.002 -93.2633 -140.286 -57.0909 -3.61026 PRESSAVG: 1993000 5.56301 -55.6148 -36.3216 -55.6147 13.4242 70.0523 -36.3217 70.0524 27.6384 GPRESSAVG: 1993000 4.45058 -55.7049 -34.5443 -56.9987 14.1293 70.4558 -35.0787 73.8992 27.96 TIMING: 1993000 CPU: 6285.37, 0.00315578/step Wall: 6285.37, 0.00315578/step, 2.63595 hours remaining, 239.324219 MB of memory in use. ENERGY: 1993000 3999.9737 20660.8180 14404.3966 228.2558 -203140.0065 2222.2144 0.0000 0.0000 51673.9735 -109950.3745 296.9710 -161624.3480 -109591.5779 299.1519 -212.2881 -184.9755 759160.8084 15.5419 15.5133 PRESSURE: 1993200 115.487 27.9171 -30.4255 27.9174 14.2792 115.467 -30.4246 115.467 -382.291 GPRESSURE: 1993200 83.1144 81.2528 -14.7307 -92.3467 100.229 105.688 33.6119 -117.792 -357.811 PRESSAVG: 1993200 1.06772 -18.4577 -14.8842 -18.4577 -52.9887 30.09 -14.8842 30.0901 -6.00196 GPRESSAVG: 1993200 1.36909 -17.986 -14.4541 -18.3427 -52.3943 29.9903 -16.3808 27.96 -6.91846 TIMING: 1993200 CPU: 6286, 0.00314895/step Wall: 6286, 0.00314895/step, 2.63008 hours remaining, 239.324219 MB of memory in use. ENERGY: 1993200 3959.1036 20458.7036 14457.7480 249.5199 -203937.4832 2721.7822 0.0000 0.0000 52206.5891 -109884.0368 300.0320 -162090.6259 -109519.3855 298.4498 -84.1750 -58.1561 759874.8933 -19.3076 -19.3145 PRESSURE: 1993400 228.522 83.6921 -205.804 83.6923 8.6396 120.029 -205.804 120.028 -67.1179 GPRESSURE: 1993400 329.645 55.611 -153.085 93.7302 36.1362 89.1721 -215.627 32.8581 -122.344 PRESSAVG: 1993400 18.7539 -11.5094 -35.8401 -11.5095 -46.28 8.56762 -35.8401 8.56767 -3.77395 GPRESSAVG: 1993400 18.2943 -10.3124 -37.478 -10.2715 -46.0093 6.94717 -32.5058 7.46572 -3.04359 TIMING: 1993400 CPU: 6286.62, 0.0031263/step Wall: 6286.62, 0.0031263/step, 2.61098 hours remaining, 239.324219 MB of memory in use. ENERGY: 1993400 4099.6385 20393.5476 14477.7309 236.8776 -203516.1122 2583.3143 0.0000 0.0000 51838.0511 -109886.9521 297.9140 -161725.0032 -109530.9864 298.7630 56.6813 81.1456 761047.1569 -10.4333 -10.2529 PRESSURE: 1993600 75.2939 -40.1051 41.0544 -40.105 13.9179 87.0456 41.0537 87.0457 437.404 GPRESSURE: 1993600 119.487 67.8345 66.3279 -64.1754 -25.1825 119.013 -134.403 81.9546 502.024 PRESSAVG: 1993600 72.6598 -32.2709 -17.1743 -32.2709 -1.1806 64.1874 -17.1742 64.1874 0.717 GPRESSAVG: 1993600 73.5612 -32.0036 -17.1516 -33.3001 -1.67886 66.3882 -19.8213 65.7842 0.82996 TIMING: 1993600 CPU: 6287.26, 0.00315773/step Wall: 6287.26, 0.00315773/step, 2.63705 hours remaining, 239.324219 MB of memory in use. ENERGY: 1993600 4060.8183 20366.8957 14510.6578 251.3729 -203682.1962 2846.4604 0.0000 0.0000 51656.6285 -109989.3626 296.8714 -161645.9910 -109633.2969 298.6576 175.5387 198.7761 760518.9600 24.0654 24.2374 PRESSURE: 1993800 -107.439 -79.2509 -28.1797 -79.2506 -325.387 -36.8973 -28.1791 -36.8977 -77.8058 GPRESSURE: 1993800 -174.447 -45.4871 -2.98848 -175.097 -164.254 -22.0743 46.2968 -91.0715 -81.4176 PRESSAVG: 1993800 -4.16199 -40.4339 8.66858 -40.4339 -4.46025 -21.4101 8.66859 -21.41 12.6309 GPRESSAVG: 1993800 -4.52809 -43.1921 8.34737 -40.4344 -4.03019 -22.2125 8.91003 -20.4019 13.0291 TIMING: 1993800 CPU: 6287.88, 0.00313232/step Wall: 6287.88, 0.00313232/step, 2.61566 hours remaining, 239.324219 MB of memory in use. ENERGY: 1993800 3923.2925 20579.2794 14415.7160 258.6528 -203574.6928 2605.9773 0.0000 0.0000 51918.9602 -109872.8147 298.3790 -161791.7749 -109514.0931 298.3156 -170.2108 -140.0395 760904.0347 1.3362 1.4903 PRESSURE: 1994000 -360.735 -165.206 -191.532 -165.207 -168.37 -38.898 -191.532 -38.8978 -152.057 GPRESSURE: 1994000 -261.815 -41.7457 -253.193 -144.552 -182.768 -22.1172 -177.943 40.1252 -132.006 PRESSAVG: 1994000 45.4678 12.4727 43.2883 12.4727 -18.8709 85.3772 43.2882 85.3772 9.87347 GPRESSAVG: 1994000 46.0305 12.5397 44.0271 12.8146 -19.117 84.9076 42.7937 86.3492 10.0341 TIMING: 1994000 CPU: 6288.51, 0.00314174/step Wall: 6288.51, 0.00314174/step, 2.62335 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1994000 4004.5707 20345.2249 14370.3401 264.8810 -203437.8428 2580.9413 0.0000 0.0000 51901.5334 -109970.3514 298.2788 -161871.8848 -109608.3508 298.2304 -227.0541 -192.1962 760415.8235 12.1568 12.3159 PRESSURE: 1994200 -333.651 9.60419 3.43082 9.60349 -309.357 86.4599 3.43045 86.4593 -239.603 GPRESSURE: 1994200 -361.111 -52.3956 -50.0876 -93.0241 -294.812 38.0826 7.55945 -5.70721 -162.308 PRESSAVG: 1994200 0.332693 -48.4076 -4.36742 -48.4077 -16.2007 -8.034 -4.36739 -8.03411 0.253407 GPRESSAVG: 1994200 0.270065 -48.2723 -5.55401 -47.5075 -16.9903 -7.5719 -2.11351 -10.6057 0.830722 TIMING: 1994200 CPU: 6289.14, 0.0031378/step Wall: 6289.14, 0.0031378/step, 2.61989 hours remaining, 239.324219 MB of memory in use. ENERGY: 1994200 4051.0131 20483.2593 14458.0800 240.1380 -203878.9133 2686.4218 0.0000 0.0000 51922.7519 -110037.2494 298.4008 -161960.0013 -109672.4385 298.5186 -294.2039 -272.7437 761155.1527 -5.2049 -5.2965 PRESSURE: 1994400 28.7654 -160.957 166.713 -160.958 283.244 277.91 166.713 277.912 239.924 GPRESSURE: 1994400 122.283 -123.382 206.128 -226.633 219.04 209.546 174.896 225.228 286.782 PRESSAVG: 1994400 -6.65297 -4.02475 15.8389 -4.02477 34.803 -18.9581 15.8389 -18.9581 2.19449 GPRESSAVG: 1994400 -7.68128 -5.0445 16.8208 -4.54833 35.2226 -20.3324 16.2183 -15.8496 2.48198 TIMING: 1994400 CPU: 6289.77, 0.00314533/step Wall: 6289.77, 0.00314533/step, 2.626 hours remaining, 239.324219 MB of memory in use. ENERGY: 1994400 3939.5820 20283.9617 14418.8868 233.0510 -203772.4757 2537.8397 0.0000 0.0000 52005.0038 -110354.1508 298.8735 -162359.1546 -109982.9917 297.7185 183.9777 209.3685 760032.4488 10.1149 10.0078 PRESSURE: 1994600 -426.15 -41.8098 -103.595 -41.8109 -225.628 169.843 -103.596 169.843 -275.908 GPRESSURE: 1994600 -410.74 -10.5502 -130.639 -14.3224 -218.937 228.183 -161.58 145.412 -231.944 PRESSAVG: 1994600 47.7676 -40.9103 35.9055 -40.9104 -16.7668 -22.5943 35.9054 -22.5942 -29.7706 GPRESSAVG: 1994600 48.3898 -39.9412 35.0559 -41.308 -16.1529 -19.9862 35.0789 -24.7438 -31.5049 TIMING: 1994600 CPU: 6290.39, 0.00314214/step Wall: 6290.39, 0.00314214/step, 2.62317 hours remaining, 239.324219 MB of memory in use. ENERGY: 1994600 3870.4706 20375.5311 14475.0058 236.8801 -203446.6795 2318.1031 0.0000 0.0000 51804.1833 -110366.5053 297.7194 -162170.6886 -110001.9379 297.2260 -309.2287 -287.2067 760802.5534 0.4101 0.2440 PRESSURE: 1994800 -95.5004 -40.1214 -71.4693 -40.1223 -631.375 -71.0773 -71.4691 -71.0773 -370.381 GPRESSURE: 1994800 -190.276 -0.815555 -86.1107 -57.995 -461.865 -105.26 -131.95 -35.4408 -376.437 PRESSAVG: 1994800 31.9187 37.0458 0.708799 37.0458 -7.46004 -22.0621 0.708771 -22.0621 10.0431 GPRESSAVG: 1994800 31.1228 36.4704 2.13702 39.5989 -7.72303 -22.4508 -0.749051 -22.6546 10.713 TIMING: 1994800 CPU: 6291.02, 0.00313304/step Wall: 6291.02, 0.00313304/step, 2.61539 hours remaining, 239.324219 MB of memory in use. ENERGY: 1994800 4069.9782 20389.3563 14506.0167 242.7235 -203723.1156 2354.9526 0.0000 0.0000 51931.7504 -110228.3379 298.4525 -162160.0884 -109863.4604 297.5426 -365.7519 -342.8591 760109.6876 11.5006 11.3709 PRESSURE: 1995000 -280.592 -112.537 -72.9158 -112.537 -93.0384 14.2684 -72.9165 14.2679 155.661 GPRESSURE: 1995000 -375.424 -87.3104 -45.9225 -159.878 15.3906 38.8361 -74.3181 -72.8438 203.022 PRESSAVG: 1995000 -26.751 -36.3973 -23.9331 -36.3973 26.0719 -33.002 -23.9331 -33.0021 18.7459 GPRESSAVG: 1995000 -27.105 -35.4591 -24.6698 -36.2493 25.4419 -33.3849 -22.0745 -32.2458 19.5299 TIMING: 1995000 CPU: 6291.64, 0.00310531/step Wall: 6291.64, 0.00310531/step, 2.59207 hours remaining, 239.324219 MB of memory in use. ENERGY: 1995000 3958.6167 20527.0216 14464.0847 262.4058 -203689.7128 2492.2108 0.0000 0.0000 51937.1373 -110048.2359 298.4834 -161985.3732 -109685.1580 297.9422 -72.6565 -52.3371 758331.2931 6.0223 5.9556 PRESSURE: 1995200 -135.362 147.208 -238.904 147.209 364.85 35.7989 -238.904 35.7989 170.865 GPRESSURE: 1995200 -16.6832 127.664 -129.276 141.831 340.314 47.9149 -300.047 -3.57953 149.981 PRESSAVG: 1995200 73.4955 -59.9798 2.93198 -59.9798 -15.4349 -2.86131 2.93196 -2.8613 -15.5167 GPRESSAVG: 1995200 74.9921 -58.824 3.57366 -61.0686 -15.8592 -2.68947 2.49765 -3.49164 -16.2097 TIMING: 1995200 CPU: 6292.27, 0.0031274/step Wall: 6292.27, 0.0031274/step, 2.61034 hours remaining, 239.324219 MB of memory in use. ENERGY: 1995200 3900.1465 20497.6459 14483.7904 233.7534 -203603.1523 2636.3732 0.0000 0.0000 51763.0155 -110088.4274 297.4828 -161851.4428 -109729.7826 298.2757 133.4511 157.8709 758120.2306 14.1813 14.3077 PRESSURE: 1995400 -105.194 278.188 -2.81715 278.188 -35.3601 12.6927 -2.81763 12.692 -170.563 GPRESSURE: 1995400 -80.5719 175.991 11.1078 271.212 17.1467 183.318 -50.9864 75.7478 -161.947 PRESSAVG: 1995400 -5.04866 -43.4944 -46.3903 -43.4944 7.5677 -49.1969 -46.3903 -49.1969 -24.3408 GPRESSAVG: 1995400 -6.43857 -46.4753 -45.9779 -42.6041 7.91777 -49.456 -47.6179 -47.594 -23.3027 TIMING: 1995400 CPU: 6292.9, 0.00315456/step Wall: 6292.9, 0.00315456/step, 2.63283 hours remaining, 239.324219 MB of memory in use. ENERGY: 1995400 3970.3195 20484.0902 14528.4513 249.5883 -203267.3933 2270.0258 0.0000 0.0000 51815.0934 -109949.8249 297.7821 -161764.9183 -109592.0773 298.4758 -103.7059 -75.1242 759286.2770 -7.2739 -7.2745 PRESSURE: 1995600 -189.565 -53.8736 -148.195 -53.8728 -352.195 -67.5097 -148.196 -67.51 112.172 GPRESSURE: 1995600 -286.136 -94.887 -121.387 -88.9983 -268.714 -79.6541 -67.0546 -117.915 190.27 PRESSAVG: 1995600 35.9058 12.3716 -56.4479 12.3716 -95.5336 -2.49447 -56.4479 -2.49442 15.2586 GPRESSAVG: 1995600 36.3355 16.484 -56.3172 11.8853 -96.3826 0.240385 -56.6446 -4.2307 14.9068 TIMING: 1995600 CPU: 6293.53, 0.00315551/step Wall: 6293.53, 0.00315551/step, 2.63345 hours remaining, 239.324219 MB of memory in use. ENERGY: 1995600 3890.3313 20575.8235 14470.2566 245.7335 -203238.7892 2289.5749 0.0000 0.0000 51863.5403 -109903.5290 298.0605 -161767.0694 -109541.2303 297.6848 -143.1959 -121.5268 760748.9777 -14.7897 -15.0468 PRESSURE: 1995800 592.774 65.0404 -45.6424 65.0404 42.7523 -125.477 -45.644 -125.476 84.8847 GPRESSURE: 1995800 556.597 76.5428 -76.6372 9.87781 64.2941 -167.88 -11.0337 -132.113 188.76 PRESSAVG: 1995800 44.6644 16.885 -34.3133 16.8851 -29.7572 -26.4172 -34.3134 -26.4171 3.28436 GPRESSAVG: 1995800 43.7949 15.9835 -34.5046 16.1313 -29.4254 -29.7412 -34.1995 -25.3493 3.25962 TIMING: 1995800 CPU: 6294.16, 0.00314039/step Wall: 6294.16, 0.00314039/step, 2.62066 hours remaining, 239.324219 MB of memory in use. ENERGY: 1995800 3869.7627 20500.0051 14491.7798 242.5526 -204022.8812 2945.0069 0.0000 0.0000 51975.9045 -109997.8695 298.7062 -161973.7740 -109636.3389 298.3582 240.1371 269.8836 759260.3500 6.0638 5.8764 PRESSURE: 1996000 -328.396 -168.763 252.618 -168.764 -367.331 25.3288 252.618 25.3293 -40.7406 GPRESSURE: 1996000 -269.535 -176.866 157.495 -140.568 -300.724 43.201 448.729 28.9151 -60.0048 PRESSAVG: 1996000 68.0771 -7.65524 -16.5095 -7.6552 -41.4092 17.9787 -16.5095 17.9787 -8.55181 GPRESSAVG: 1996000 68.9763 -8.86895 -18.9193 -7.62566 -40.0099 18.5279 -14.6222 17.2405 -10.8562 TIMING: 1996000 CPU: 6294.79, 0.00314958/step Wall: 6294.79, 0.00314958/step, 2.62815 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1996000 3929.4748 20576.5941 14499.3566 266.4333 -203383.2522 2410.4196 0.0000 0.0000 51940.5382 -109760.4357 298.5030 -161700.9739 -109400.6736 298.8533 -245.4892 -210.0880 760952.4512 6.0387 6.0367 PRESSURE: 1996200 110.37 54.2496 -174.798 54.25 29.6744 -78.7729 -174.798 -78.7732 -169.437 GPRESSURE: 1996200 169.168 28.0308 -140.093 206.907 31.5112 -106.587 -175.178 -59.4125 -125.173 PRESSAVG: 1996200 76.7845 9.6265 12.4645 9.62648 -47.4806 19.7342 12.4644 19.7342 5.40723 GPRESSAVG: 1996200 76.5995 11.2998 15.1033 10.1206 -48.1195 20.2916 11.8392 19.7622 6.25206 TIMING: 1996200 CPU: 6295.42, 0.00314778/step Wall: 6295.42, 0.00314778/step, 2.62647 hours remaining, 239.324219 MB of memory in use. ENERGY: 1996200 4010.8964 20442.4410 14460.4656 234.5632 -203303.8496 2560.5090 0.0000 0.0000 51799.6625 -109795.3119 297.6934 -161594.9743 -109437.1514 298.1267 -9.7973 25.1687 760598.0915 11.5704 11.5774 LDB: ============= START OF LOAD BALANCING ============== 6307.81 LDB: ============== END OF LOAD BALANCING =============== 6307.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6307.82 LDB: ============= START OF LOAD BALANCING ============== 6308.13 LDB: Largest compute 7044 load 0.032720 is 16.7% of average load 0.195957 LDB: Average compute 0.004401 is 2.2% of average load 0.195957 LDB: TIME 6308.14 LOAD: AVG 0.195957 MAX 0.21696 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 6308.14 LOAD: AVG 0.195957 MAX 0.21696 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: TIME 6308.14 LOAD: AVG 0.195957 MAX 0.21696 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: ============== END OF LOAD BALANCING =============== 6308.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6308.14 PRESSURE: 1996400 -304.639 -34.8293 173.977 -34.8294 -336.016 -118.215 173.976 -118.215 -156.164 GPRESSURE: 1996400 -307.093 -53.85 181.582 -66.5222 -244.146 -41.1658 146.421 46.8775 -140.754 PRESSAVG: 1996400 18.0264 -8.78289 6.69898 -8.78287 -16.1835 15.0551 6.69899 15.0551 4.73828 GPRESSAVG: 1996400 17.6961 -9.14455 5.65574 -9.72991 -16.8744 15.2734 7.90349 15.6434 5.47755 TIMING: 1996400 CPU: 6296.06, 0.0032132/step Wall: 6296.06, 0.0032132/step, 2.68088 hours remaining, 237.839844 MB of memory in use. ENERGY: 1996400 4001.1771 20510.9817 14502.2058 261.5525 -203352.5465 2473.1527 0.0000 0.0000 51783.1843 -109820.2926 297.5987 -161603.4769 -109452.6078 298.1259 -265.6062 -230.6643 760472.4552 2.1937 2.0997 PRESSURE: 1996600 246.243 213.576 -136.497 213.575 45.7539 -152.815 -136.497 -152.817 37.0597 GPRESSURE: 1996600 255.377 159.986 -126.407 98.6556 145.118 -127.61 -135.585 -51.1449 34.0062 PRESSAVG: 1996600 -21.9169 -45.5653 -48.9494 -45.5652 12.1496 -15.8134 -48.9493 -15.8134 2.27988 GPRESSAVG: 1996600 -21.7619 -46.726 -49.1587 -43.893 12.0937 -16.9449 -50.5429 -14.2058 2.1192 TIMING: 1996600 CPU: 6296.69, 0.00314122/step Wall: 6296.69, 0.00314122/step, 2.62065 hours remaining, 238.042969 MB of memory in use. ENERGY: 1996600 3914.0016 20475.5800 14536.7153 237.1423 -203276.8700 2558.1951 0.0000 0.0000 51953.9598 -109601.2759 298.5801 -161555.2356 -109244.1166 298.5385 109.6855 144.8335 760494.7061 -2.4958 -2.5163 PRESSURE: 1996800 -66.9527 3.83403 59.0894 3.83348 54.5008 -98.5365 59.0898 -98.5362 219.796 GPRESSURE: 1996800 -82.8021 19.1977 -46.3396 50.8998 36.8982 -113.923 71.0897 -123.67 334.146 PRESSAVG: 1996800 20.4203 0.572132 8.06397 0.572218 33.2727 -85.1489 8.06401 -85.1489 -1.39619 GPRESSAVG: 1996800 21.7546 1.31931 9.17291 -0.785219 31.6342 -84.3992 7.06989 -86.8964 -1.45744 TIMING: 1996800 CPU: 6297.32, 0.00314585/step Wall: 6297.32, 0.00314585/step, 2.62433 hours remaining, 238.042969 MB of memory in use. ENERGY: 1996800 4005.1951 20559.4858 14450.0852 239.2829 -203474.8859 2733.0019 0.0000 0.0000 51752.5041 -109735.3309 297.4224 -161487.8349 -109383.5314 299.0654 69.1148 96.0806 759148.9355 17.4323 17.3104 PRESSURE: 1997000 287.025 5.2065 199.302 5.2065 257.129 20.3939 199.303 20.3943 173.025 GPRESSURE: 1997000 277.33 53.3691 142.211 -41.2642 299.834 75.1846 168.537 -62.3916 216.854 PRESSAVG: 1997000 -11.8883 -27.9499 2.61545 -27.9499 -2.00132 -19.7166 2.61547 -19.7166 16.7149 GPRESSAVG: 1997000 -14.6127 -27.237 2.07481 -26.6881 0.401304 -18.7865 4.82914 -20.9762 16.7353 TIMING: 1997000 CPU: 6297.95, 0.00313838/step Wall: 6297.95, 0.00313838/step, 2.61793 hours remaining, 238.042969 MB of memory in use. ENERGY: 1997000 3982.7173 20486.8664 14406.4742 247.1045 -203204.8385 2398.4399 0.0000 0.0000 51933.3906 -109749.8457 298.4619 -161683.2363 -109401.7444 298.5075 239.0600 264.6727 759242.2539 0.9418 0.8413 PRESSURE: 1997200 183.534 81.5638 207.667 81.5637 357.279 225.65 207.667 225.651 -109.609 GPRESSURE: 1997200 198.825 -51.0586 188.051 208.052 404.233 216.386 135.77 232.828 -91.8244 PRESSAVG: 1997200 3.73557 -30.7884 23.4141 -30.7884 2.08673 61.973 23.4141 61.9729 18.7554 GPRESSAVG: 1997200 5.47235 -32.6646 23.673 -31.9462 0.561019 60.3365 22.9371 62.3057 18.341 TIMING: 1997200 CPU: 6298.58, 0.00316359/step Wall: 6298.58, 0.00316359/step, 2.63878 hours remaining, 238.042969 MB of memory in use. ENERGY: 1997200 4024.0291 20724.1166 14399.4983 221.6794 -203300.6612 2590.2787 0.0000 0.0000 51798.4946 -109542.5645 297.6867 -161341.0591 -109186.6157 298.6191 143.7344 170.4110 759742.4297 8.1926 8.1248 PRESSURE: 1997400 440.647 -68.5463 74.688 -68.5467 38.8423 -44.6033 74.6873 -44.6034 448.021 GPRESSURE: 1997400 352.585 -73.1867 51.0321 70.26 190.973 29.808 169.9 -104.231 436.748 PRESSAVG: 1997400 24.0733 -47.0847 7.77618 -47.0848 -18.1652 45.8814 7.77612 45.8813 -4.75464 GPRESSAVG: 1997400 23.0027 -43.9502 5.07097 -47.9414 -16.7808 45.7728 7.79483 45.5065 -5.37332 TIMING: 1997400 CPU: 6299.21, 0.00315237/step Wall: 6299.21, 0.00315237/step, 2.62925 hours remaining, 238.042969 MB of memory in use. ENERGY: 1997400 3981.0415 20355.0526 14537.7648 250.6023 -203816.2449 3087.9665 0.0000 0.0000 51915.1152 -109688.7020 298.3569 -161603.8172 -109327.9715 298.5808 309.1700 326.7686 759165.2811 0.3845 0.2829 PRESSURE: 1997600 -147.293 15.8197 134.066 15.8197 31.1623 37.3805 134.066 37.3797 -218.948 GPRESSURE: 1997600 -20.027 44.538 198.923 18.217 -24.9422 21.5789 -0.0807803 170.357 -193.627 PRESSAVG: 1997600 18.2389 22.325 18.5349 22.3249 -19.9956 19.8037 18.5349 19.8038 2.91295 GPRESSAVG: 1997600 18.1958 20.7462 20.2081 23.0892 -20.6099 19.9276 17.9348 20.2496 3.91002 TIMING: 1997600 CPU: 6299.84, 0.00315781/step Wall: 6299.84, 0.00315781/step, 2.63362 hours remaining, 238.042969 MB of memory in use. ENERGY: 1997600 3955.2087 20384.7250 14504.5903 260.1230 -203525.7918 2584.1531 0.0000 0.0000 52097.6372 -109739.3544 299.4058 -161836.9916 -109376.9010 298.7051 -111.6931 -79.5321 761716.7719 0.3854 0.4987 PRESSURE: 1997800 117.19 -71.837 214.282 -71.8372 110.531 -80.7628 214.282 -80.7641 252.005 GPRESSURE: 1997800 316.124 -130.545 221.873 -13.8951 81.228 -120.81 248.195 -113.518 186.571 PRESSAVG: 1997800 46.2087 -10.6116 75.7234 -10.6115 -17.3747 -12.1572 75.7234 -12.1572 -8.68457 GPRESSAVG: 1997800 46.2327 -9.8794 76.2833 -11.0808 -17.3068 -12.1488 74.6144 -12.275 -9.03607 TIMING: 1997800 CPU: 6300.47, 0.00315354/step Wall: 6300.47, 0.00315354/step, 2.62988 hours remaining, 238.042969 MB of memory in use. ENERGY: 1997800 3945.2382 20518.5950 14561.3898 254.3598 -203480.9249 2486.4339 0.0000 0.0000 52122.8145 -109592.0937 299.5505 -161714.9082 -109229.3522 298.7449 159.9086 194.6408 760689.7402 6.7165 6.6299 PRESSURE: 1998000 189.289 -142.091 -366.034 -142.092 52.0599 139.557 -366.034 139.556 -98.2349 GPRESSURE: 1998000 222.221 -138.64 -281.25 -43.594 94.6854 240.61 -316.276 104.986 -85.1537 PRESSAVG: 1998000 70.0601 -27.0935 8.65006 -27.0935 -77.8382 61.3243 8.64997 61.3244 -8.59047 GPRESSAVG: 1998000 69.3287 -29.2275 8.14606 -26.8506 -77.5306 62.4184 9.35782 62.0332 -8.60994 TIMING: 1998000 CPU: 6301.1, 0.00312954/step Wall: 6301.1, 0.00312954/step, 2.60969 hours remaining, 238.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1998000 3991.2512 20578.1962 14573.6676 244.6931 -203435.4884 2501.2903 0.0000 0.0000 51930.9818 -109615.4083 298.4481 -161546.3901 -109248.0979 298.9008 47.7045 77.2508 758136.7759 -5.4562 -5.6040 PRESSURE: 1998200 -222.213 -81.5304 25.0983 -81.53 -166.038 188.197 25.0984 188.198 35.1037 GPRESSURE: 1998200 -131.999 -13.8315 -41.2534 -101.846 -208.851 221.605 119.542 120.788 45.7311 PRESSAVG: 1998200 5.09047 -8.41764 19.6147 -8.41767 64.9613 1.92588 19.6146 1.92586 8.06097 GPRESSAVG: 1998200 5.80192 -6.9935 21.6512 -7.84308 64.7548 2.1374 19.4365 1.71388 7.38267 TIMING: 1998200 CPU: 6301.72, 0.00312721/step Wall: 6301.72, 0.00312721/step, 2.60757 hours remaining, 238.042969 MB of memory in use. ENERGY: 1998200 4017.7295 20541.6361 14516.5048 232.4887 -203104.3418 2315.0751 0.0000 0.0000 51781.7288 -109699.1788 297.5903 -161480.9076 -109331.0451 299.4281 -117.7157 -98.3727 760856.5167 26.0376 25.9798 PRESSURE: 1998400 -173.38 103.405 107.431 103.406 113.934 -66.4583 107.43 -66.4589 28.1746 GPRESSURE: 1998400 -102.036 -47.5096 62.6372 105.486 159.658 -151.166 -36.3781 -44.7051 -4.32312 PRESSAVG: 1998400 -10.0766 56.8268 23.9782 56.8268 25.3002 8.20728 23.9782 8.20733 -6.26292 GPRESSAVG: 1998400 -9.35842 54.7969 24.205 55.3197 23.5399 7.6635 22.9366 6.91014 -5.691 TIMING: 1998400 CPU: 6302.35, 0.00313014/step Wall: 6302.35, 0.00313014/step, 2.60984 hours remaining, 238.042969 MB of memory in use. ENERGY: 1998400 3999.6755 20574.2169 14579.9000 229.9265 -203415.4050 2578.6224 0.0000 0.0000 51870.5217 -109582.5420 298.1006 -161453.0637 -109226.5572 298.6819 -10.4238 17.7663 760523.1984 2.9869 2.8302 PRESSURE: 1998600 98.0727 -129.253 0.80421 -129.253 129.947 260.946 0.804435 260.946 75.7958 GPRESSURE: 1998600 88.9163 -73.9352 30.8757 41.0115 206.782 226.184 -71.6389 115.086 102.729 PRESSAVG: 1998600 -50.1712 -0.201041 19.7683 -0.201112 21.1601 57.219 19.7683 57.219 4.65482 GPRESSAVG: 1998600 -51.8519 3.03624 17.8292 0.503506 24.0483 57.3631 21.7873 57.3885 3.86913 TIMING: 1998600 CPU: 6302.98, 0.0031447/step Wall: 6302.98, 0.0031447/step, 2.62181 hours remaining, 238.042969 MB of memory in use. ENERGY: 1998600 4073.3496 20493.2100 14496.7335 247.6671 -203510.9060 2600.2855 0.0000 0.0000 51871.2793 -109728.3809 298.1050 -161599.6602 -109365.4374 298.7076 101.2719 132.8093 760438.4695 -8.1188 -7.9782 PRESSURE: 1998800 -91.2435 -66.0813 -126.26 -66.0819 88.9543 -93.9752 -126.26 -93.9759 200.102 GPRESSURE: 1998800 17.11 -52.7328 -14.5874 51.974 39.143 -119.376 -99.6938 -61.1808 211.681 PRESSAVG: 1998800 -33.4261 -14.72 -15.052 -14.72 7.08469 -4.78829 -15.052 -4.78828 10.1471 GPRESSAVG: 1998800 -32.0999 -16.2131 -13.3761 -14.4958 4.85684 -5.95343 -16.2591 -3.27483 10.7929 TIMING: 1998800 CPU: 6303.61, 0.00314168/step Wall: 6303.61, 0.00314168/step, 2.61911 hours remaining, 238.042969 MB of memory in use. ENERGY: 1998800 3955.3348 20480.7815 14451.3214 228.8606 -203266.0049 2680.5369 0.0000 0.0000 51839.5418 -109629.6277 297.9226 -161469.1696 -109274.2399 298.3977 65.9377 89.3114 762804.0447 -5.3981 -5.4834 PRESSURE: 1999000 221.327 -54.95 37.0046 -54.9501 -117.249 -250.862 37.0048 -250.863 -68.9541 GPRESSURE: 1999000 215.09 7.43998 67.2545 40.1044 -27.8372 -203.472 170.009 -151.435 -85.2253 PRESSAVG: 1999000 22.702 18.8743 21.9455 18.8744 -26.9373 -34.5169 21.9454 -34.5169 -12.3382 GPRESSAVG: 1999000 22.0772 19.2563 20.3381 21.1818 -25.608 -35.1721 24.4498 -34.5244 -13.8066 TIMING: 1999000 CPU: 6304.23, 0.0031286/step Wall: 6304.23, 0.00312861/step, 2.60804 hours remaining, 238.042969 MB of memory in use. ENERGY: 1999000 4029.0069 20465.2591 14479.5042 260.0491 -203312.1815 2585.4512 0.0000 0.0000 51805.9887 -109686.9223 297.7297 -161492.9110 -109317.0870 299.1710 11.7080 34.0092 761612.9849 -5.5245 -5.7792 PRESSURE: 1999200 -236.713 112.56 -61.1576 112.56 -378.152 52.9966 -61.1574 52.996 463.265 GPRESSURE: 1999200 -245.072 88.8095 -48.6705 78.7657 -359.529 173.528 -68.377 -20.0569 505.774 PRESSAVG: 1999200 56.3801 34.7698 -24.0143 34.7698 -36.2145 9.3254 -24.0143 9.32541 2.03589 GPRESSAVG: 1999200 56.5895 34.5584 -22.69 31.7271 -37.4662 10.6899 -25.7463 8.00128 2.87695 TIMING: 1999200 CPU: 6304.86, 0.00312906/step Wall: 6304.86, 0.00312906/step, 2.60825 hours remaining, 238.042969 MB of memory in use. ENERGY: 1999200 3961.7570 20580.6760 14492.0245 254.7482 -203592.2156 2642.3299 0.0000 0.0000 51702.7220 -109957.9580 297.1363 -161660.6800 -109609.3848 298.4178 -50.5332 -32.9427 761650.5993 7.4005 7.3334 PRESSURE: 1999400 53.1011 -105.698 126.933 -105.699 -78.7794 -77.9942 126.932 -77.9937 7.63741 GPRESSURE: 1999400 35.8682 -38.4096 153.557 -161.367 -74.8793 6.06926 71.2803 -159.333 85.2742 PRESSAVG: 1999400 14.8056 38.0157 6.36842 38.0157 -91.948 -26.1223 6.36843 -26.1223 -0.0469532 GPRESSAVG: 1999400 14.3033 40.0699 5.11125 37.7711 -91.1991 -26.8852 7.13679 -24.714 -0.0208914 TIMING: 1999400 CPU: 6305.48, 0.00312724/step Wall: 6305.48, 0.00312725/step, 2.60656 hours remaining, 238.042969 MB of memory in use. ENERGY: 1999400 3956.1740 20464.1532 14492.0994 244.2386 -203371.3399 2687.9611 0.0000 0.0000 51838.8596 -109687.8541 297.9186 -161526.7137 -109339.1223 298.2807 -6.0136 15.4210 761767.0164 -25.7298 -25.6389 PRESSURE: 1999600 -183.95 -8.64551 137.921 -8.64549 -457.734 283.032 137.922 283.034 -171.401 GPRESSURE: 1999600 -197.491 58.351 85.175 -67.6292 -382.714 240.475 111.876 174.469 -154.889 PRESSAVG: 1999600 45.4732 -39.131 31.4964 -39.131 -62.3467 39.1112 31.4965 39.1112 21.1419 GPRESSAVG: 1999600 45.8025 -39.8088 33.1199 -36.8209 -62.1804 39.689 28.7868 38.9745 20.7586 TIMING: 1999600 CPU: 6306.11, 0.00313748/step Wall: 6306.11, 0.00313748/step, 2.61492 hours remaining, 238.042969 MB of memory in use. ENERGY: 1999600 4022.4674 20413.9247 14532.8382 247.3104 -203197.7365 2453.9941 0.0000 0.0000 51953.5878 -109573.6138 298.5780 -161527.2016 -109215.8924 298.7516 -271.0283 -245.0313 761361.8614 1.4228 1.4602 PRESSURE: 1999800 106.561 -60.0392 113.537 -60.0385 170.607 129.876 113.537 129.876 48.0615 GPRESSURE: 1999800 144.245 -172.357 37.1563 53.532 170.011 120.947 42.1032 24.3263 118.425 PRESSAVG: 1999800 13.1369 -41.2615 16.7214 -41.2615 -42.0784 42.4442 16.7214 42.4442 11.3868 GPRESSAVG: 1999800 12.9919 -39.7559 15.0945 -44.1107 -42.471 41.0278 18.5176 42.6045 11.7675 TIMING: 1999800 CPU: 6306.74, 0.00312594/step Wall: 6306.74, 0.00312594/step, 2.60512 hours remaining, 238.042969 MB of memory in use. ENERGY: 1999800 3918.9826 20331.8732 14601.6445 243.9962 -203198.4574 2682.3269 0.0000 0.0000 52019.7519 -109399.8820 298.9582 -161419.6339 -109037.0285 299.1795 108.4100 144.2268 762308.2371 -5.8516 -5.9039 WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2000000 -37.7718 -282.734 19.0465 -282.732 -88.7613 -8.41061 19.0464 -8.40989 148.888 GPRESSURE: 2000000 38.9669 -402.605 -51.3006 -249.173 -45.6157 -6.67213 48.1652 49.6451 84.7124 PRESSAVG: 2000000 91.169 -82.6588 -4.23049 -82.6588 -96.9068 13.7391 -4.23057 13.7391 -13.3024 GPRESSAVG: 2000000 90.3222 -85.6975 -4.36866 -81.7267 -95.5056 16.0269 -5.14022 13.2481 -13.6811 TIMING: 2000000 CPU: 6307.38, 0.00323397/step Wall: 6307.38, 0.00323397/step, 2.69497 hours remaining, 238.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000000 3892.2495 20451.8715 14481.5373 241.8790 -203202.2807 2576.4004 0.0000 0.0000 52147.3551 -109410.9878 299.6916 -161558.3429 -109046.4409 299.3007 7.4515 26.0212 762207.8649 -6.3467 -6.2882 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 PRESSURE: 2000200 4.17079 -56.651 -308.052 -56.6503 16.5928 -88.4345 -308.052 -88.4348 111.431 GPRESSURE: 2000200 -28.6834 -93.6208 -222.492 35.696 61.5004 -68.038 -269.596 -153.813 179.075 PRESSAVG: 2000200 28.4001 -52.1779 7.76145 -52.1779 -1.52057 -41.3103 7.76148 -41.3104 1.05433 GPRESSAVG: 2000200 28.2094 -52.1468 8.12148 -51.5404 -2.20539 -41.527 11.6724 -41.0924 1.7813 TIMING: 2000200 CPU: 6308.01, 0.00313184/step Wall: 6308.01, 0.00313184/step, 2.60969 hours remaining, 238.167969 MB of memory in use. ENERGY: 2000200 3952.0267 20560.1912 14513.2199 257.7119 -203459.4215 2744.1286 0.0000 0.0000 52073.6450 -109358.4982 299.2680 -161432.1432 -108994.9284 299.5662 44.0647 70.6308 761299.2107 9.3113 9.2618 LDB: ============= START OF LOAD BALANCING ============== 6320.41 LDB: ============== END OF LOAD BALANCING =============== 6320.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6320.41 LDB: ============= START OF LOAD BALANCING ============== 6320.72 LDB: Largest compute 7058 load 0.035812 is 18.3% of average load 0.195866 LDB: Average compute 0.004427 is 2.3% of average load 0.195866 LDB: TIME 6320.73 LOAD: AVG 0.195866 MAX 0.217701 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.863 MB LDB: TIME 6320.73 LOAD: AVG 0.195866 MAX 0.217701 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: TIME 6320.73 LOAD: AVG 0.195866 MAX 0.217701 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.066 MB LDB: ============== END OF LOAD BALANCING =============== 6320.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6320.73 PRESSURE: 2000400 -169.039 -51.8757 22.8436 -51.8753 -193.633 4.3088 22.8434 4.3086 210.949 GPRESSURE: 2000400 -156.758 -81.5581 -17.4924 -28.4464 -75.2699 83.5446 -62.6976 132.096 152.516 PRESSAVG: 2000400 45.6012 -20.4643 -47.5798 -20.4643 -10.3789 21.2559 -47.5797 21.2559 -1.53684 GPRESSAVG: 2000400 46.6783 -20.3099 -46.6952 -20.92 -9.77851 21.4297 -51.2885 19.8615 -2.30597 TIMING: 2000400 CPU: 6308.65, 0.00321317/step Wall: 6308.65, 0.00321317/step, 2.67729 hours remaining, 241.234375 MB of memory in use. ENERGY: 2000400 3894.4315 20501.5164 14443.8125 232.4822 -202894.9401 2480.2467 0.0000 0.0000 52084.6269 -109257.8239 299.3311 -161342.4508 -108896.5920 299.6742 -50.5743 -26.5039 761598.2412 11.2285 11.5313 PRESSURE: 2000600 -329.294 -119.201 14.5383 -119.202 -122.397 185.027 14.5386 185.027 10.5977 GPRESSURE: 2000600 -331.035 -111.575 2.45827 -160.072 -69.7895 148.585 149.872 39.7793 56.4914 PRESSAVG: 2000600 -8.92198 8.18578 -13.4924 8.18579 -8.56338 -19.8999 -13.4924 -19.8999 9.15838 GPRESSAVG: 2000600 -9.23828 8.00662 -14.8046 8.20494 -8.57163 -20.3565 -11.997 -18.6454 9.18412 TIMING: 2000600 CPU: 6309.28, 0.00314557/step Wall: 6309.28, 0.00314557/step, 2.62078 hours remaining, 241.437500 MB of memory in use. ENERGY: 2000600 4066.3918 20456.3112 14441.7599 242.1219 -203265.4925 2650.4411 0.0000 0.0000 52033.4600 -109375.0067 299.0370 -161408.4667 -109013.4216 299.6881 -147.0311 -114.7776 759946.1296 -2.7757 -2.8753 PRESSURE: 2000800 -46.6796 129.691 197.034 129.692 -58.665 89.0275 197.034 89.0278 -491.065 GPRESSURE: 2000800 3.2248 81.5653 230.024 99.6693 -147.834 128.68 91.3567 -74.3421 -377.804 PRESSAVG: 2000800 22.9631 -32.33 -1.19005 -32.33 15.6487 0.835886 -1.1901 0.83578 2.96641 GPRESSAVG: 2000800 22.2865 -30.2998 0.538656 -34.9487 15.4452 1.38144 -2.13782 -0.745582 3.21355 TIMING: 2000800 CPU: 6309.91, 0.0031573/step Wall: 6309.91, 0.0031573/step, 2.63038 hours remaining, 241.437500 MB of memory in use. ENERGY: 2000800 4019.4063 20479.4303 14426.3453 252.5761 -202873.3167 2280.1943 0.0000 0.0000 51923.6093 -109491.7551 298.4057 -161415.3644 -109126.1633 299.1977 -198.8033 -174.1380 761542.6373 13.8594 13.6484 PRESSURE: 2001000 137.684 113.591 -128.615 113.591 -600.268 54.5861 -128.616 54.5864 -98.0981 GPRESSURE: 2001000 92.1481 -20.6253 -109.872 76.1679 -451.134 181.23 -142.299 48.5209 -114.412 PRESSAVG: 2001000 11.3802 -28.5173 11.8465 -28.5173 -9.1903 -16.9264 11.8464 -16.9263 8.67201 GPRESSAVG: 2001000 12.8297 -30.0222 8.94495 -27.9545 -10.4296 -17.2308 9.41143 -16.8306 8.40738 TIMING: 2001000 CPU: 6310.54, 0.00315568/step Wall: 6310.54, 0.00315568/step, 2.62886 hours remaining, 241.437500 MB of memory in use. ENERGY: 2001000 3966.6752 20431.7579 14381.4461 241.8121 -202569.1730 2214.4956 0.0000 0.0000 51973.0723 -109359.9139 298.6900 -161332.9861 -108999.8026 298.9098 -186.8941 -157.7994 763107.4206 3.6206 3.6025 PRESSURE: 2001200 -282.11 78.6159 -274.002 78.6143 -145.605 -147.448 -274.001 -147.447 32.7395 GPRESSURE: 2001200 -308.827 144.279 -220.289 64.4452 -154.222 -174.799 -167.605 -101.701 150.437 PRESSAVG: 2001200 -6.90551 1.3524 -33.8185 1.35241 8.95124 -29.4856 -33.8185 -29.4856 -0.801131 GPRESSAVG: 2001200 -9.09419 0.848192 -33.0794 3.4931 10.3688 -30.0414 -31.1173 -29.7794 -0.694952 TIMING: 2001200 CPU: 6311.17, 0.00315904/step Wall: 6311.17, 0.00315904/step, 2.63148 hours remaining, 241.437500 MB of memory in use. ENERGY: 2001200 3966.4597 20473.1423 14481.1876 264.6259 -202851.8089 2450.6765 0.0000 0.0000 51972.8775 -109242.8395 298.6888 -161215.7170 -108883.6764 299.3106 -131.6586 -104.2041 761157.3106 0.4149 0.1932 PRESSURE: 2001400 -266.077 -120.184 -235.181 -120.184 238.948 70.6274 -235.181 70.6262 88.0844 GPRESSURE: 2001400 -159.968 -204.001 -226.502 -106.237 243.636 53.127 -174.458 67.4218 45.1453 PRESSAVG: 2001400 48.7353 -15.7703 -44.9908 -15.7704 -13.2414 -70.8264 -44.9908 -70.8266 9.70239 GPRESSAVG: 2001400 49.9848 -15.2164 -45.2573 -15.7407 -13.3419 -71.8011 -45.7652 -71.0175 8.79124 TIMING: 2001400 CPU: 6311.8, 0.00315233/step Wall: 6311.8, 0.00315233/step, 2.62572 hours remaining, 241.437500 MB of memory in use. ENERGY: 2001400 4013.0631 20519.8457 14496.3428 250.8243 -203192.8410 2582.2899 0.0000 0.0000 51858.1573 -109472.3179 298.0295 -161330.4752 -109103.7954 298.9799 20.3184 42.9378 761546.1244 15.0654 15.1447 PRESSURE: 2001600 82.3756 29.1676 355.602 29.1688 -366.36 -54.3567 355.602 -54.3574 -224.827 GPRESSURE: 2001600 139.542 42.054 396.264 -24.4688 -322.914 -96.5129 203.946 19.6549 -236.271 PRESSAVG: 2001600 30.9455 -5.15463 -7.62359 -5.15461 14.5773 2.66716 -7.62351 2.66717 -31.1907 GPRESSAVG: 2001600 31.8062 -3.03356 -5.76029 -6.92664 14.1266 4.2131 -6.39482 3.10144 -31.3307 TIMING: 2001600 CPU: 6312.43, 0.00314501/step Wall: 6312.43, 0.00314501/step, 2.61944 hours remaining, 241.437500 MB of memory in use. ENERGY: 2001600 4024.3586 20327.5044 14518.0396 249.1024 -203701.7268 2837.9076 0.0000 0.0000 52220.7595 -109524.0546 300.1134 -161744.8141 -109154.4450 298.8089 -169.6038 -139.8812 761781.1898 4.7774 4.8673 PRESSURE: 2001800 156.174 -12.306 -97.9357 -12.3063 73.1861 130.615 -97.9354 130.615 507.006 GPRESSURE: 2001800 235.361 -4.38914 -47.3897 -18.8093 56.1947 155.2 -35.0016 156.92 529.347 PRESSAVG: 2001800 65.1087 -37.93 -42.1998 -37.93 -10.7457 16.2244 -42.1997 16.2244 -8.52756 GPRESSAVG: 2001800 65.248 -39.8804 -43.3357 -37.1875 -11.0388 15.538 -43.4999 18.8272 -7.7201 TIMING: 2001800 CPU: 6313.06, 0.00314789/step Wall: 6313.06, 0.00314789/step, 2.62167 hours remaining, 241.437500 MB of memory in use. ENERGY: 2001800 3970.5418 20517.8534 14423.3560 237.0282 -203459.2139 2593.1382 0.0000 0.0000 52176.2447 -109541.0517 299.8576 -161717.2964 -109183.0312 299.3997 245.4555 273.6343 758995.2307 15.2785 15.4964 PRESSURE: 2002000 111.949 63.5625 53.7433 63.5627 38.2458 1.05684 53.7432 1.05695 -38.5089 GPRESSURE: 2002000 64.9145 73.4596 32.4256 -61.4068 70.0103 36.4955 102.212 -48.3879 50.3274 PRESSAVG: 2002000 60.1435 -2.32051 -15.2343 -2.32051 -57.8924 -13.194 -15.2342 -13.194 10.2473 GPRESSAVG: 2002000 59.6901 -2.39962 -14.9638 -0.652734 -57.2838 -12.2788 -14.0998 -16.0982 10.3763 TIMING: 2002000 CPU: 6313.69, 0.00313509/step Wall: 6313.69, 0.00313509/step, 2.61083 hours remaining, 241.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2002000 4003.4594 20727.1421 14467.0579 233.0989 -203232.7819 2479.8150 0.0000 0.0000 52090.5994 -109231.6092 299.3654 -161322.2086 -108875.8655 299.1587 37.2285 61.7507 760934.9785 4.1661 4.2609 PRESSURE: 2002200 -135.236 -183.203 5.53664 -183.204 205.082 -24.0286 5.53735 -24.0291 -63.0855 GPRESSURE: 2002200 -100.278 -246.184 34.8287 -137.788 215.187 -1.93323 54.4038 -33.9093 -18.9379 PRESSAVG: 2002200 41.173 -3.87438 -36.916 -3.87437 -26.776 -12.1392 -36.916 -12.1391 0.191637 GPRESSAVG: 2002200 41.4846 -4.18056 -36.2814 -6.53751 -26.9747 -12.4815 -36.572 -10.9124 0.0789188 TIMING: 2002200 CPU: 6314.32, 0.00313145/step Wall: 6314.32, 0.00313145/step, 2.60763 hours remaining, 241.437500 MB of memory in use. ENERGY: 2002200 3933.9644 20430.3932 14547.2586 239.9324 -203077.1279 2522.8643 0.0000 0.0000 52017.9288 -109384.7863 298.9478 -161402.7151 -109009.7167 299.6842 2.2536 31.9903 761498.9219 4.8629 4.8629 PRESSURE: 2002400 -58.6155 172.412 6.52166 172.412 -78.568 -106.094 6.52137 -106.094 31.7724 GPRESSURE: 2002400 13.7252 152.978 -101.533 108.086 -58.0403 -52.9462 -52.5196 -19.6577 29.4972 PRESSAVG: 2002400 -4.1113 -41.7701 14.8168 -41.7702 11.654 -45.6999 14.8168 -45.6998 23.7986 GPRESSAVG: 2002400 -4.57894 -41.8135 15.4782 -40.1418 11.7442 -45.5697 13.8478 -45.9464 23.799 TIMING: 2002400 CPU: 6314.94, 0.00312691/step Wall: 6314.94, 0.00312691/step, 2.60368 hours remaining, 241.437500 MB of memory in use. ENERGY: 2002400 3973.8146 20389.7169 14466.0802 250.3226 -203705.2676 2928.9258 0.0000 0.0000 52141.9898 -109554.4178 299.6607 -161696.4076 -109190.2260 299.0888 -35.1370 -4.9393 761292.6008 10.4471 10.3214 PRESSURE: 2002600 -13.8375 31.954 -61.6228 31.954 244.102 176.701 -61.6232 176.703 11.1087 GPRESSURE: 2002600 31.5633 -32.2047 -133.061 86.9719 202.658 128.634 -130.464 32.9365 81.5201 PRESSAVG: 2002600 49.7231 -9.72232 -18.6789 -9.72234 -12.9544 4.79204 -18.679 4.792 0.79254 GPRESSAVG: 2002600 50.4997 -10.9589 -18.98 -10.0294 -14.5997 5.89043 -19.2771 4.90224 1.17422 TIMING: 2002600 CPU: 6315.57, 0.00313506/step Wall: 6315.57, 0.00313506/step, 2.61029 hours remaining, 241.437500 MB of memory in use. ENERGY: 2002600 3975.1315 20412.8815 14514.6707 247.0536 -203345.7285 2720.7731 0.0000 0.0000 51815.0534 -109660.1648 297.7818 -161475.2182 -109307.7274 298.5325 80.4576 105.2472 761276.0287 12.5204 12.3581 PRESSURE: 2002800 134.726 6.77714 -55.3952 6.77781 -79.7685 -47.216 -55.3953 -47.217 -193.483 GPRESSURE: 2002800 146.199 52.0367 -68.4109 -3.74211 -94.5526 -36.748 -13.2105 -51.9348 -96.3906 PRESSAVG: 2002800 34.6045 -19.5452 -10.5491 -19.5452 -68.9368 -2.17385 -10.549 -2.17391 -13.7283 GPRESSAVG: 2002800 33.6895 -18.1595 -11.8161 -18.9107 -67.8168 -3.04532 -9.36337 -0.983349 -14.5326 TIMING: 2002800 CPU: 6316.2, 0.00314924/step Wall: 6316.2, 0.00314924/step, 2.62192 hours remaining, 241.437500 MB of memory in use. ENERGY: 2002800 4028.9053 20397.3780 14518.3980 254.6792 -203186.3124 2549.4694 0.0000 0.0000 51793.3807 -109644.1019 297.6573 -161437.4826 -109287.9096 298.1883 -46.1753 -14.9149 762841.5054 -16.0202 -16.2199 PRESSURE: 2003000 99.5737 373.02 -79.9719 373.02 16.5718 126.417 -79.9712 126.417 -87.6796 GPRESSURE: 2003000 149.68 232.43 -77.6008 282.515 -21.7431 99.0266 -62.5124 200.028 -38.621 PRESSAVG: 2003000 22.6144 -12.6914 -30.4278 -12.6913 -44.7165 -7.69537 -30.4277 -7.6953 -9.07054 GPRESSAVG: 2003000 22.3333 -12.4872 -29.0523 -14.6121 -44.1372 -8.4147 -31.1275 -7.45565 -9.1677 TIMING: 2003000 CPU: 6316.83, 0.00317509/step Wall: 6316.83, 0.00317509/step, 2.64326 hours remaining, 241.437500 MB of memory in use. ENERGY: 2003000 3963.7444 20511.4242 14453.4244 248.1611 -203390.3428 2510.2850 0.0000 0.0000 51920.8429 -109782.4609 298.3898 -161703.3038 -109425.0199 298.3855 9.4887 29.7719 763215.5156 -10.3909 -10.3239 PRESSURE: 2003200 570.9 -104.19 -30.2963 -104.189 247.823 129.232 -30.2959 129.233 -21.1236 GPRESSURE: 2003200 562.63 -45.8283 33.5277 137.522 365.662 111.467 -30.516 31.9365 -32.7084 PRESSAVG: 2003200 4.22359 16.3709 4.77123 16.3709 20.5126 10.5502 4.77119 10.5503 10.7054 GPRESSAVG: 2003200 5.23933 14.2661 4.78849 19.3192 19.4564 11.181 4.63176 9.43658 11.039 TIMING: 2003200 CPU: 6317.47, 0.00315556/step Wall: 6317.47, 0.00315556/step, 2.62683 hours remaining, 241.437500 MB of memory in use. ENERGY: 2003200 4008.7711 20401.2421 14554.4707 249.1978 -203488.3683 2604.8139 0.0000 0.0000 51857.7274 -109812.1452 298.0271 -161669.8726 -109466.4421 298.6226 265.8664 298.5280 761255.6202 11.8138 11.9116 PRESSURE: 2003400 23.1133 -155.753 91.2509 -155.753 6.26001 107.89 91.2512 107.89 -111.836 GPRESSURE: 2003400 31.0999 -81.1716 19.5607 -109.393 1.29085 245.751 26.4174 43.906 -22.607 PRESSAVG: 2003400 21.5846 -43.1103 -7.25779 -43.1104 -52.6073 -13.3557 -7.25778 -13.3557 15.6153 GPRESSAVG: 2003400 21.9256 -42.3738 -7.65028 -43.1558 -53.5053 -14.0568 -6.94105 -11.6156 15.817 TIMING: 2003400 CPU: 6318.09, 0.00312311/step Wall: 6318.09, 0.00312311/step, 2.59964 hours remaining, 241.437500 MB of memory in use. ENERGY: 2003400 3995.4083 20416.4138 14505.9835 253.7363 -203544.0051 2679.1570 0.0000 0.0000 52061.6528 -109631.6534 299.1990 -161693.3062 -109273.4154 298.8335 -27.4877 3.2612 761535.9710 -5.1358 -5.2542 PRESSURE: 2003600 -22.84 -81.5719 -26.0235 -81.5718 -83.3948 118.761 -26.0224 118.761 -75.6567 GPRESSURE: 2003600 -72.3287 -48.5248 47.6321 -29.7142 7.55425 74.5412 3.09141 124.94 -21.7873 PRESSAVG: 2003600 15.1232 -18.3827 49.044 -18.3827 -21.0839 26.7257 49.044 26.7257 -14.8491 GPRESSAVG: 2003600 14.1605 -17.4767 48.7265 -19.725 -20.8358 26.3673 50.4406 26.3033 -14.3717 TIMING: 2003600 CPU: 6318.72, 0.00313181/step Wall: 6318.72, 0.00313181/step, 2.60671 hours remaining, 241.437500 MB of memory in use. ENERGY: 2003600 3980.4739 20422.2142 14501.6991 239.6687 -203633.8272 2779.5316 0.0000 0.0000 52064.5501 -109645.6896 299.2157 -161710.2397 -109288.9188 299.1537 -60.6305 -28.8539 761112.0510 -6.9366 -7.0157 PRESSURE: 2003800 -47.615 -289.7 -62.9878 -289.7 -294.472 -86.4689 -62.9876 -86.4681 3.52002 GPRESSURE: 2003800 63.06 -456.614 -51.0871 -299.771 -320.333 -157.355 55.4241 -57.2151 1.0927 PRESSAVG: 2003800 -40.1915 -29.2686 -16.174 -29.2685 20.9094 -13.0077 -16.1739 -13.0077 -11.0972 GPRESSAVG: 2003800 -40.3379 -30.2099 -15.757 -27.3316 21.96 -11.4437 -16.5456 -12.6033 -11.8518 TIMING: 2003800 CPU: 6319.34, 0.00314168/step Wall: 6319.34, 0.00314168/step, 2.61475 hours remaining, 241.437500 MB of memory in use. ENERGY: 2003800 3979.8847 20346.1388 14412.7765 243.2914 -203421.0151 2426.4509 0.0000 0.0000 52231.4540 -109781.0188 300.1749 -162012.4728 -109403.8691 299.1163 -112.8558 -85.3936 761414.1063 -10.1264 -10.0766 PRESSURE: 2004000 -38.4962 207.809 -5.72703 207.809 95.7315 71.9613 -5.72697 71.9606 150.572 GPRESSURE: 2004000 105.761 208.866 -10.3337 215.687 83.5941 78.4633 -16.1188 66.8601 100.177 PRESSAVG: 2004000 65.4038 18.3978 -45.5666 18.3978 -91.3485 9.03537 -45.5666 9.03549 -13.1374 GPRESSAVG: 2004000 67.1465 19.1135 -46.5585 18.2162 -92.2685 7.76323 -45.2062 9.52007 -13.2736 TIMING: 2004000 CPU: 6319.97, 0.00314559/step Wall: 6319.97, 0.00314559/step, 2.61783 hours remaining, 241.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2004000 4003.3777 20423.3001 14431.2101 248.1108 -204004.0843 3139.8281 0.0000 0.0000 52153.2189 -109605.0386 299.7253 -161758.2575 -109244.7268 299.1497 69.2692 96.5109 761449.0687 -13.0274 -12.7985 PRESSURE: 2004200 -399.825 -92.6928 14.0979 -92.6924 -187.47 -159.318 14.0979 -159.317 -247.031 GPRESSURE: 2004200 -344.291 -90.9662 35.8636 -102.089 -149.515 -167.287 -14.5252 -114.05 -267.43 PRESSAVG: 2004200 42.0513 22.5855 3.44064 22.5855 -30.9164 -87.7939 3.44067 -87.794 18.3329 GPRESSAVG: 2004200 41.1389 21.9216 4.6775 23.1373 -30.0556 -87.654 3.55208 -86.3548 18.7004 TIMING: 2004200 CPU: 6320.61, 0.00315892/step Wall: 6320.61, 0.00315892/step, 2.62875 hours remaining, 241.437500 MB of memory in use. ENERGY: 2004200 3977.5220 20592.0165 14509.6732 223.4055 -203472.1874 2525.4236 0.0000 0.0000 52325.1067 -109319.0401 300.7131 -161644.1467 -108956.8289 299.6607 -278.1085 -253.7453 760984.1283 9.8226 9.9279 LDB: ============= START OF LOAD BALANCING ============== 6333 LDB: ============== END OF LOAD BALANCING =============== 6333 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6333.01 LDB: ============= START OF LOAD BALANCING ============== 6333.32 LDB: Largest compute 7034 load 0.033943 is 17.3% of average load 0.195867 LDB: Average compute 0.004432 is 2.3% of average load 0.195867 LDB: TIME 6333.32 LOAD: AVG 0.195867 MAX 0.215887 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.125 MB LDB: TIME 6333.32 LOAD: AVG 0.195867 MAX 0.215887 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.125 MB LDB: TIME 6333.33 LOAD: AVG 0.195867 MAX 0.215887 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.125 MB LDB: ============== END OF LOAD BALANCING =============== 6333.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6333.33 PRESSURE: 2004400 -127.033 182.466 16.6002 182.465 -229.724 -142.049 16.5999 -142.05 -277.337 GPRESSURE: 2004400 -64.9475 194.728 -76.401 57.4797 -201.061 -167.16 -28.9038 -139.319 -279.972 PRESSAVG: 2004400 48.9944 14.6981 -16.4296 14.698 -77.1262 -30.7009 -16.4296 -30.7009 18.8279 GPRESSAVG: 2004400 48.0536 15.922 -16.4753 13.7471 -76.1776 -30.2574 -17.7104 -33.4377 18.866 TIMING: 2004400 CPU: 6321.25, 0.00321978/step Wall: 6321.25, 0.00321978/step, 2.67921 hours remaining, 237.636719 MB of memory in use. ENERGY: 2004400 3980.3862 20551.0566 14498.4431 254.2824 -202935.9818 2281.5923 0.0000 0.0000 51981.7414 -109388.4799 298.7398 -161370.2212 -109018.8699 299.6483 -211.3646 -181.9936 762334.5818 -3.1013 -3.0860 PRESSURE: 2004600 -34.4521 -85.7168 49.7012 -85.717 -81.9129 -238.016 49.702 -238.015 28.5518 GPRESSURE: 2004600 21.6399 -136.786 34.8141 19.6734 -85.6789 -242.054 88.5949 -213.919 46.0511 PRESSAVG: 2004600 43.1368 12.3667 38.058 12.3667 -63.281 30.27 38.058 30.2701 -4.89101 GPRESSAVG: 2004600 44.3559 11.4717 38.2211 12.1354 -63.8111 27.6584 37.2232 31.8101 -5.34241 TIMING: 2004600 CPU: 6321.88, 0.00315518/step Wall: 6321.88, 0.00315518/step, 2.62528 hours remaining, 237.839844 MB of memory in use. ENERGY: 2004600 4042.2514 20667.7804 14483.2496 245.9991 -203641.9164 2778.0380 0.0000 0.0000 52260.9151 -109163.6827 300.3442 -161424.5978 -108801.1560 299.4246 -29.2711 -5.9960 761615.8456 -8.3451 -8.2659 PRESSURE: 2004800 26.7617 115.094 320.627 115.095 149.02 216.377 320.627 216.376 438.667 GPRESSURE: 2004800 60.0291 110.487 247.449 110.563 182.504 186.485 261.263 225.509 443.814 PRESSAVG: 2004800 17.4604 4.74074 7.49031 4.74076 -34.1018 19.0901 7.49019 19.0901 -22.6401 GPRESSAVG: 2004800 17.2673 4.91636 6.41575 3.37622 -35.0549 21.4147 8.09442 17.5728 -21.3157 TIMING: 2004800 CPU: 6322.51, 0.00316075/step Wall: 6322.51, 0.00316075/step, 2.62975 hours remaining, 237.839844 MB of memory in use. ENERGY: 2004800 3999.8977 20665.6540 14588.2960 231.1316 -203614.7008 2626.7824 0.0000 0.0000 52271.3141 -109231.6250 300.4040 -161502.9392 -108872.2740 299.8432 204.8162 228.7825 759606.7212 -13.0938 -13.0344 PRESSURE: 2005000 -220.713 270.505 -18.5579 270.505 -172.482 83.9116 -18.5568 83.9124 -358.574 GPRESSURE: 2005000 -265.134 147.164 3.23749 276.723 -14.2672 47.7438 1.21623 55.2415 -376.913 PRESSAVG: 2005000 11.0352 20.1946 31.566 20.1946 -25.8041 43.5229 31.5659 43.5228 0.667622 GPRESSAVG: 2005000 10.0454 20.4126 31.6719 20.6765 -24.3265 42.2809 31.7016 44.4876 0.279615 TIMING: 2005000 CPU: 6323.14, 0.00315097/step Wall: 6323.14, 0.00315097/step, 2.62143 hours remaining, 237.839844 MB of memory in use. ENERGY: 2005000 4010.4305 20492.2589 14500.4078 237.1482 -203336.6681 2572.5646 0.0000 0.0000 52301.9534 -109221.9046 300.5800 -161523.8580 -108857.4749 300.1527 -250.5895 -218.7713 763102.1053 -4.7004 -4.6672 PRESSURE: 2005200 141.315 0.00770974 -110.634 0.0068516 -372.513 -46.8643 -110.634 -46.8638 -82.1818 GPRESSURE: 2005200 242.87 127.156 -169.768 -57.02 -352.474 9.61424 -94.279 44.3074 -128.496 PRESSAVG: 2005200 44.6421 52.7832 38.24 52.7831 -2.36835 20.2001 38.24 20.2001 -15.1838 GPRESSAVG: 2005200 45.5049 52.8207 38.8444 52.6665 -4.38074 21.5961 39.2254 19.6969 -14.0857 TIMING: 2005200 CPU: 6323.77, 0.0031417/step Wall: 6323.77, 0.0031417/step, 2.61355 hours remaining, 237.839844 MB of memory in use. ENERGY: 2005200 4013.9238 20513.8075 14508.7226 240.9038 -203495.7227 2600.5150 0.0000 0.0000 52143.3608 -109474.4892 299.6686 -161617.8500 -109111.6340 299.5087 -104.4599 -79.3665 762323.8721 9.0300 9.0128 PRESSURE: 2005400 68.0785 -94.9907 -3.94597 -94.9904 -91.2272 -336.436 -3.94622 -336.436 65.3293 GPRESSURE: 2005400 113.49 -172.298 -14.9433 -207.427 -87.0464 -364.619 -49.5653 -271.009 95.162 PRESSAVG: 2005400 25.4969 -42.5119 67.8761 -42.5118 -33.8215 -47.3729 67.876 -47.3729 13.0653 GPRESSAVG: 2005400 25.8865 -43.001 67.6759 -42.3059 -32.9381 -48.7593 65.4691 -46.3128 11.3757 TIMING: 2005400 CPU: 6324.4, 0.00315041/step Wall: 6324.4, 0.00315041/step, 2.62061 hours remaining, 237.839844 MB of memory in use. ENERGY: 2005400 3944.1756 20662.8697 14432.0293 237.2678 -203513.1033 2627.0737 0.0000 0.0000 52176.4616 -109433.2257 299.8588 -161609.6872 -109071.0536 299.7690 14.0602 40.5350 760903.8424 1.5802 1.4413 PRESSURE: 2005600 -117.961 -118.817 115.693 -118.817 -178.952 18.0524 115.692 18.0522 -359.522 GPRESSURE: 2005600 -130.204 7.37709 155.827 -13.2552 -149.037 -34.8807 208.328 -44.039 -272.881 PRESSAVG: 2005600 68.8178 -17.3884 21.3229 -17.3884 -100.271 48.7396 21.3229 48.7396 -3.85076 GPRESSAVG: 2005600 66.6918 -17.6446 19.0262 -15.6786 -98.9453 51.7424 22.456 45.8578 -3.04799 TIMING: 2005600 CPU: 6325.03, 0.00313714/step Wall: 6325.03, 0.00313714/step, 2.6094 hours remaining, 237.839844 MB of memory in use. ENERGY: 2005600 4011.3944 20600.1930 14512.6837 231.0833 -202999.6348 2241.1488 0.0000 0.0000 51962.3976 -109440.7341 298.6286 -161403.1317 -109084.5750 298.9782 -218.8113 -184.0410 761495.6455 -11.7680 -11.7672 PRESSURE: 2005800 -126.357 122.157 -226.105 122.157 -262.866 -97.0662 -226.104 -97.0656 86.1674 GPRESSURE: 2005800 -79.7848 36.6994 -127.545 203.863 -203.182 -159.494 -246.818 -105.152 77.3163 PRESSAVG: 2005800 13.1006 -42.2086 35.1838 -42.2086 7.93969 17.348 35.1839 17.348 -3.91762 GPRESSAVG: 2005800 15.3848 -43.6464 36.9135 -42.7462 5.62411 15.7455 33.4058 19.4258 -3.71536 TIMING: 2005800 CPU: 6325.66, 0.00315643/step Wall: 6325.66, 0.00315643/step, 2.62527 hours remaining, 237.839844 MB of memory in use. ENERGY: 2005800 4015.8155 20577.8094 14558.1683 251.0110 -203330.2169 2444.5903 0.0000 0.0000 51931.8825 -109550.9400 298.4532 -161482.8225 -109193.4399 299.4764 -101.0187 -68.5500 760710.7963 5.7075 5.7645 PRESSURE: 2006000 -198.371 53.0152 -63.0189 53.0154 -76.3296 -21.4515 -63.0193 -21.4515 309.518 GPRESSURE: 2006000 -209.383 67.8585 105.226 37.5227 -15.665 -34.1593 -61.9874 -123.309 320.784 PRESSAVG: 2006000 55.665 -30.7606 69.3124 -30.7606 -79.9482 -26.0513 69.3124 -26.0512 3.31641 GPRESSAVG: 2006000 54.0921 -29.9831 70.2564 -30.4028 -78.5457 -27.5698 70.8779 -25.9976 3.31638 TIMING: 2006000 CPU: 6326.29, 0.00314095/step Wall: 6326.29, 0.00314095/step, 2.61223 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2006000 3953.1694 20461.1147 14462.6541 244.4612 -203322.3101 2569.4513 0.0000 0.0000 52058.5528 -109572.9066 299.1812 -161631.4593 -109209.4984 298.6478 11.6056 31.9121 760979.0222 -6.9889 -7.0457 PRESSURE: 2006200 -157.21 -191.251 -191.03 -191.251 -56.2483 45.7364 -191.03 45.7351 283.56 GPRESSURE: 2006200 64.3994 -236.503 -159.456 -126.103 -118.567 7.7085 -171.545 92.2094 216.959 PRESSAVG: 2006200 52.4021 -58.7286 39.1285 -58.7286 -58.967 -13.8946 39.1285 -13.8945 -1.91489 GPRESSAVG: 2006200 53.2739 -57.411 37.7045 -58.5997 -59.1555 -12.5918 40.6139 -14.6653 -2.39097 TIMING: 2006200 CPU: 6326.91, 0.0031338/step Wall: 6326.91, 0.0031338/step, 2.6061 hours remaining, 237.839844 MB of memory in use. ENERGY: 2006200 3938.1655 20429.5278 14469.9213 228.3819 -203668.6721 2711.8588 0.0000 0.0000 52230.2431 -109660.5738 300.1679 -161890.8168 -109288.2695 298.8496 23.3672 54.2637 760040.7862 -2.8266 -2.7575 PRESSURE: 2006400 -55.4796 -146.951 87.6309 -146.951 260.683 -190.036 87.6313 -190.035 94.5357 GPRESSURE: 2006400 57.9121 -62.1591 -64.604 -133.981 279.609 -115.093 124.592 -176.112 40.375 PRESSAVG: 2006400 48.8953 2.2604 -29.1878 2.26039 -33.8179 12.341 -29.1879 12.3409 14.4996 GPRESSAVG: 2006400 48.4378 2.7128 -29.3404 1.51815 -34.3155 12.0851 -27.9909 13.8341 14.9719 TIMING: 2006400 CPU: 6327.54, 0.00314389/step Wall: 6327.54, 0.00314389/step, 2.61432 hours remaining, 237.839844 MB of memory in use. ENERGY: 2006400 3939.6791 20561.7227 14479.3639 231.5313 -203333.6810 2731.2162 0.0000 0.0000 51925.1688 -109464.9989 298.4147 -161390.1677 -109101.2803 299.3183 99.9131 125.9653 759266.9175 9.8590 9.6980 PRESSURE: 2006600 -8.59385 -63.987 151.659 -63.9872 -47.6069 26.9011 151.658 26.9016 69.5732 GPRESSURE: 2006600 120.779 -77.8704 103.089 121.51 -128.037 11.7813 124.912 114.316 108.793 PRESSAVG: 2006600 78.8911 -55.6982 -6.13166 -55.6981 -79.1313 -33.414 -6.13167 -33.414 3.30195 GPRESSAVG: 2006600 79.344 -55.2036 -6.60688 -55.0801 -79.3326 -33.0901 -8.298 -32.7011 3.24536 TIMING: 2006600 CPU: 6328.17, 0.00312875/step Wall: 6328.17, 0.00312875/step, 2.60156 hours remaining, 237.839844 MB of memory in use. ENERGY: 2006600 3925.9897 20590.5158 14494.0203 235.5464 -203616.2164 2619.3609 0.0000 0.0000 52077.2803 -109673.5029 299.2888 -161750.7832 -109314.8092 299.0676 4.4575 33.8451 759053.6327 1.0206 1.0856 PRESSURE: 2006800 -15.4406 26.9595 99.0361 26.9596 -79.4413 187.433 99.0368 187.433 -92.2824 GPRESSURE: 2006800 104 155.551 1.62314 -89.1086 -112.335 286.562 175.749 226.944 -97.519 PRESSAVG: 2006800 56.5078 -40.3735 30.568 -40.3735 -25.7275 43.4429 30.568 43.4428 -14.5473 GPRESSAVG: 2006800 56.2701 -41.5739 32.0727 -41.7482 -25.6751 42.681 30.5239 43.5254 -14.0866 TIMING: 2006800 CPU: 6328.8, 0.00314719/step Wall: 6328.8, 0.00314719/step, 2.61671 hours remaining, 237.839844 MB of memory in use. ENERGY: 2006800 3917.2426 20692.6492 14470.6198 250.8860 -203128.4595 2370.3818 0.0000 0.0000 51958.8771 -109467.8030 298.6084 -161426.6800 -109096.6289 299.5163 -62.3881 -35.2849 761799.7555 5.4110 5.5028 PRESSURE: 2007000 54.0776 -22.0221 121.594 -22.0211 -118.348 23.5762 121.593 23.5746 -495.268 GPRESSURE: 2007000 -23.3891 -29.3565 164.817 23.1256 -12.0216 -9.03023 -32.0124 97.6215 -440.109 PRESSAVG: 2007000 54.0257 81.7055 -0.700186 81.7054 -84.99 34.6852 -0.700288 34.6851 3.99276 GPRESSAVG: 2007000 53.0762 81.6705 -1.9501 82.0411 -84.7243 34.7366 -2.04272 33.7259 4.52672 TIMING: 2007000 CPU: 6329.43, 0.00314995/step Wall: 6329.43, 0.00314995/step, 2.61884 hours remaining, 237.839844 MB of memory in use. ENERGY: 2007000 3954.6621 20404.1928 14454.2993 250.2141 -203642.5233 2552.9360 0.0000 0.0000 52315.9331 -109710.2861 300.6604 -162026.2191 -109337.5940 299.1078 -186.5127 -158.5065 760965.8675 -8.9905 -9.0405 PRESSURE: 2007200 -515.917 3.25054 29.8252 3.25097 -250.098 -110.394 29.8255 -110.392 -40.032 GPRESSURE: 2007200 -487.65 -6.73556 32.5216 46.4156 -166.085 -154.654 253.845 -73.7379 -70.3775 PRESSAVG: 2007200 27.2799 31.2277 55.2392 31.2277 -8.02135 -12.4678 55.2393 -12.4677 16.1013 GPRESSAVG: 2007200 26.8774 32.1787 56.7868 31.9728 -7.5023 -10.9089 56.2537 -12.2151 15.9991 TIMING: 2007200 CPU: 6330.06, 0.00313634/step Wall: 6330.06, 0.00313634/step, 2.60734 hours remaining, 237.839844 MB of memory in use. ENERGY: 2007200 3986.4488 20542.6703 14521.3859 234.2591 -203745.6853 2779.5968 0.0000 0.0000 52045.2374 -109636.0870 299.1047 -161681.3243 -109280.3078 298.9563 -268.6824 -241.3708 761377.3800 11.7866 11.7914 PRESSURE: 2007400 145.115 292.649 75.4131 292.648 24.57 -49.8846 75.4132 -49.8842 -75.71 GPRESSURE: 2007400 158.769 211.932 78.0205 272.219 89.1649 -34.1578 119.719 -54.7405 -84.6227 PRESSAVG: 2007400 5.45591 10.4152 28.9645 10.4152 -30.6791 -39.3366 28.9645 -39.3365 -11.1037 GPRESSAVG: 2007400 6.8941 9.43059 27.6435 10.0262 -31.1894 -40.544 29.4438 -39.2618 -11.8086 TIMING: 2007400 CPU: 6330.69, 0.00315958/step Wall: 6330.69, 0.00315958/step, 2.62649 hours remaining, 237.839844 MB of memory in use. ENERGY: 2007400 3980.2758 20592.7972 14519.6744 227.8024 -203476.9204 2658.4880 0.0000 0.0000 51700.2595 -109797.6231 297.1221 -161497.8826 -109440.3969 298.5604 31.3249 54.4370 761214.2685 -12.1090 -12.0346 PRESSURE: 2007600 144.265 65.5544 271.949 65.5545 211.079 -106.999 271.95 -106.999 -210.68 GPRESSURE: 2007600 181.99 68.7966 282.062 104.404 208.399 58.8365 193.032 -94.7004 -138.8 PRESSAVG: 2007600 19.3641 8.26129 10.5819 8.2613 -17.866 -18.5063 10.5818 -18.5062 -0.947074 GPRESSAVG: 2007600 19.1568 7.47315 10.438 9.33524 -17.7072 -17.8423 9.8825 -20.1153 0.0292942 TIMING: 2007600 CPU: 6331.32, 0.00313795/step Wall: 6331.32, 0.00313795/step, 2.60833 hours remaining, 237.839844 MB of memory in use. ENERGY: 2007600 4045.5613 20629.7313 14406.3273 257.7043 -203895.7739 2787.6743 0.0000 0.0000 52289.4826 -109479.2928 300.5084 -161768.7754 -109117.8755 298.6208 48.2213 83.8634 760820.6552 0.1837 0.4930 PRESSURE: 2007800 -211.486 -62.6306 -227.076 -62.6305 -378.036 -224.164 -227.076 -224.164 -137.743 GPRESSURE: 2007800 -150.647 -30.1861 -195.358 -79.7499 -324.695 -308.576 -171.646 -249.639 -165.99 PRESSAVG: 2007800 53.0558 8.15468 6.84654 8.15467 -85.5677 -7.28191 6.84659 -7.28179 -3.40085 GPRESSAVG: 2007800 53.3527 9.57759 9.38389 6.75067 -86.2841 -8.53372 5.52728 -5.37025 -3.38402 TIMING: 2007800 CPU: 6331.95, 0.00316785/step Wall: 6331.95, 0.00316785/step, 2.63301 hours remaining, 237.839844 MB of memory in use. ENERGY: 2007800 4018.0528 20652.5208 14584.2318 246.0298 -203333.0105 2509.8741 0.0000 0.0000 52132.5134 -109189.7878 299.6063 -161322.3011 -108839.3543 299.7604 -242.4217 -213.7773 762220.7252 -11.9709 -12.1052 PRESSURE: 2008000 -87.4493 174.089 243.493 174.089 -443.619 226.124 243.493 226.125 -427.278 GPRESSURE: 2008000 -61.765 122.728 184.663 218.098 -340.535 116.309 174.408 255.611 -448.445 PRESSAVG: 2008000 132.922 -6.47169 -40.8403 -6.4717 -104.401 -13.8007 -40.8403 -13.8007 -12.1526 GPRESSAVG: 2008000 132.82 -8.09518 -43.4211 -6.84055 -104.571 -12.1746 -38.721 -15.8944 -12.0161 TIMING: 2008000 CPU: 6332.58, 0.00315607/step Wall: 6332.58, 0.00315607/step, 2.62304 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2008000 4123.5550 20752.0950 14521.3306 265.2827 -203488.3965 2651.6119 0.0000 0.0000 52065.8080 -109108.7133 299.2229 -161174.5212 -108750.6212 300.2709 -319.4487 -283.5818 762275.3722 5.4560 5.4110 PRESSURE: 2008200 -223.553 -21.183 -112.75 -21.1823 -110.217 24.0293 -112.75 24.0287 -28.638 GPRESSURE: 2008200 -101.213 -92.8415 -30.9195 -23.3854 -113.105 89.5393 -45.6306 78.0268 -60.8762 PRESSAVG: 2008200 77.3328 23.2465 9.10488 23.2465 -54.3062 62.6264 9.1049 62.6263 5.2405 GPRESSAVG: 2008200 77.6047 25.5955 8.96286 22.2294 -53.4835 62.7304 9.23344 62.3484 4.62148 TIMING: 2008200 CPU: 6333.22, 0.00317924/step Wall: 6333.22, 0.00317924/step, 2.64212 hours remaining, 237.839844 MB of memory in use. ENERGY: 2008200 4041.0478 20492.8990 14550.6474 253.4988 -203547.2626 2587.2625 0.0000 0.0000 52137.7853 -109484.1217 299.6366 -161621.9070 -109112.9174 299.7835 -120.8027 -91.7315 761853.6654 9.4224 9.5809 LDB: ============= START OF LOAD BALANCING ============== 6345.62 LDB: ============== END OF LOAD BALANCING =============== 6345.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6345.62 LDB: ============= START OF LOAD BALANCING ============== 6345.94 LDB: Largest compute 7058 load 0.034849 is 17.8% of average load 0.195943 LDB: Average compute 0.004427 is 2.3% of average load 0.195943 LDB: TIME 6345.94 LOAD: AVG 0.195943 MAX 0.217479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 6345.94 LOAD: AVG 0.195943 MAX 0.217479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: TIME 6345.94 LOAD: AVG 0.195943 MAX 0.217479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: ============== END OF LOAD BALANCING =============== 6345.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6345.95 PRESSURE: 2008400 41.5124 -4.92505 253.69 -4.92528 -157.891 162.969 253.69 162.97 156.531 GPRESSURE: 2008400 85.8181 -51.0785 241.132 3.38529 -92.5803 82.8245 205.22 294.652 144.468 PRESSAVG: 2008400 64.1581 -45.9968 33.6406 -45.9968 -75.1677 -6.6435 33.6406 -6.64348 1.03892 GPRESSAVG: 2008400 64.7931 -47.3727 33.0327 -44.7356 -75.075 -7.46158 32.9429 -4.03526 0.379322 TIMING: 2008400 CPU: 6333.87, 0.00326157/step Wall: 6333.87, 0.00326157/step, 2.71037 hours remaining, 239.121094 MB of memory in use. ENERGY: 2008400 3930.1220 20419.4431 14501.8486 250.7192 -203358.0196 2812.5316 0.0000 0.0000 51924.9574 -109518.3978 298.4134 -161443.3552 -109155.6781 299.2687 13.3843 45.9018 762626.4337 -3.3236 -3.3009 PRESSURE: 2008600 237.073 -104.262 -118.454 -104.262 -134.642 164.976 -118.454 164.976 462.672 GPRESSURE: 2008600 189.675 -52.129 -127.472 -29.7789 -8.19282 114.651 -86.512 82.5528 456.973 PRESSAVG: 2008600 55.853 -15.1694 33.8706 -15.1694 -22.3576 -4.2676 33.8707 -4.26766 -17.366 GPRESSAVG: 2008600 53.7636 -14.381 34.5979 -14.6066 -22.3658 -3.04483 32.6804 -5.50372 -15.2953 TIMING: 2008600 CPU: 6334.5, 0.00315286/step Wall: 6334.5, 0.00315286/step, 2.61986 hours remaining, 239.324219 MB of memory in use. ENERGY: 2008600 3909.9128 20431.7802 14546.0951 238.5896 -203565.5696 2806.0950 0.0000 0.0000 52032.8406 -109600.2563 299.0335 -161633.0970 -109239.0310 298.8677 188.3676 212.8182 763395.8515 5.3765 5.3675 PRESSURE: 2008800 99.5335 -83.7926 -166.308 -83.7931 -107.547 27.8763 -166.308 27.8761 -25.5274 GPRESSURE: 2008800 149.334 -73.0747 -215.921 -36.9178 -51.5087 45.4855 -143.454 37.4116 -59.7603 PRESSAVG: 2008800 99.6364 -18.3534 -13.1392 -18.3534 -75.5698 32.1361 -13.1392 32.136 20.5445 GPRESSAVG: 2008800 100.061 -18.6275 -13.0129 -19.3061 -75.4912 30.214 -11.7906 31.3117 20.0886 TIMING: 2008800 CPU: 6335.13, 0.00316245/step Wall: 6335.13, 0.00316245/step, 2.62765 hours remaining, 239.324219 MB of memory in use. ENERGY: 2008800 3946.7059 20591.6670 14554.6416 261.2326 -203357.9338 2562.2354 0.0000 0.0000 51813.1249 -109628.3264 297.7707 -161441.4513 -109269.4095 299.1543 -11.1804 12.6884 762155.6303 14.8704 14.8863 PRESSURE: 2009000 49.5391 -2.94967 90.4423 -2.94947 108.366 47.8342 90.4424 47.8338 -36.4345 GPRESSURE: 2009000 68.6783 49.3743 100.659 98.105 101.908 5.03801 64.9079 3.61515 31.418 PRESSAVG: 2009000 22.237 13.0021 32.7193 13.0021 -80.1892 17.2693 32.7193 17.2693 3.84935 GPRESSAVG: 2009000 23.0253 13.9561 32.0563 14.041 -81.5992 16.4088 32.6589 18.036 4.47789 TIMING: 2009000 CPU: 6335.76, 0.0031575/step Wall: 6335.76, 0.0031575/step, 2.62336 hours remaining, 239.324219 MB of memory in use. ENERGY: 2009000 4006.6687 20586.6500 14496.4772 234.4895 -203270.2891 2545.9545 0.0000 0.0000 52023.6036 -109376.4456 298.9804 -161400.0492 -109010.5114 299.1618 40.4901 67.3349 760617.3152 -18.0343 -18.0320 PRESSURE: 2009200 -239.687 138.216 -38.1129 138.216 -148.415 -76.4578 -38.1136 -76.4584 -373.466 GPRESSURE: 2009200 -172.249 37.1708 47.0493 135.21 -71.3563 -111.53 -10.3241 -94.6668 -417.882 PRESSAVG: 2009200 32.8948 37.6748 44.2074 37.6749 -37.2366 -64.3364 44.2075 -64.3363 16.1167 GPRESSAVG: 2009200 33.245 36.5874 44.6856 36.7139 -35.6355 -62.0639 45.4569 -64.8828 14.8442 TIMING: 2009200 CPU: 6336.39, 0.00313446/step Wall: 6336.39, 0.00313446/step, 2.60404 hours remaining, 239.324219 MB of memory in use. ENERGY: 2009200 4059.6730 20529.9600 14479.5446 244.4268 -203276.1870 2539.1315 0.0000 0.0000 52146.5401 -109276.9108 299.6869 -161423.4509 -108924.0263 299.6064 -253.8558 -220.4956 762372.2218 3.9250 4.1512 PRESSURE: 2009400 262.904 -87.5895 45.9502 -87.5901 105.773 -280.038 45.9497 -280.038 305.19 GPRESSURE: 2009400 305.82 -55.924 63.9768 -47.2536 174.592 -273.483 26.2183 -203.022 295.276 PRESSAVG: 2009400 18.3721 29.0951 -15.408 29.095 -15.2894 -50.6196 -15.408 -50.6195 -23.1179 GPRESSAVG: 2009400 19.1483 27.9867 -15.4123 32.4413 -16.9562 -51.0755 -16.7187 -49.7215 -22.7061 TIMING: 2009400 CPU: 6337.02, 0.00313393/step Wall: 6337.02, 0.00313393/step, 2.60343 hours remaining, 239.324219 MB of memory in use. ENERGY: 2009400 4024.5870 20409.0135 14447.6047 281.6818 -203531.1184 2786.6432 0.0000 0.0000 52094.4985 -109487.0896 299.3878 -161581.5881 -109129.2598 300.1691 224.6225 258.5624 761891.6379 -6.6784 -6.8380 PRESSURE: 2009600 107.65 -120.631 300.912 -120.631 -134.52 254.025 300.911 254.024 375.523 GPRESSURE: 2009600 236.139 -137.981 274.091 3.96509 -137.543 263.692 235.579 126.845 352.268 PRESSAVG: 2009600 25.0873 -54.9238 5.97562 -54.9237 -80.9539 -55.9745 5.97559 -55.9745 -7.31857 GPRESSAVG: 2009600 24.8831 -50.4122 5.65529 -56.5542 -80.5306 -56.2572 5.47201 -54.4882 -7.29347 TIMING: 2009600 CPU: 6337.64, 0.00312479/step Wall: 6337.64, 0.00312479/step, 2.59566 hours remaining, 239.324219 MB of memory in use. ENERGY: 2009600 4017.2332 20542.5018 14505.9900 248.6455 -203338.8222 2697.7991 0.0000 0.0000 52035.3651 -109291.2875 299.0480 -161326.6526 -108932.3170 298.8780 116.2178 150.2881 762462.9960 -21.0617 -20.9803 PRESSURE: 2009800 239.235 169.849 107.186 169.849 339.47 -204.313 107.186 -204.313 -61.7269 GPRESSURE: 2009800 274.375 104.205 81.9956 1.45774 347.789 -199.526 51.0848 -250.694 -15.9595 PRESSAVG: 2009800 52.4132 -19.4266 -30.1272 -19.4265 -57.7764 4.07168 -30.1272 4.07166 -23.0426 GPRESSAVG: 2009800 50.991 -22.0351 -31.2971 -22.3153 -57.2887 2.69481 -28.1553 3.49842 -22.0658 TIMING: 2009800 CPU: 6338.27, 0.00314418/step Wall: 6338.27, 0.00314418/step, 2.61159 hours remaining, 239.324219 MB of memory in use. ENERGY: 2009800 3938.9388 20521.3001 14515.4491 244.1710 -203373.4473 2546.2199 0.0000 0.0000 52338.1852 -109269.1831 300.7883 -161607.3683 -108912.8528 299.6469 172.3261 202.0682 761305.6465 -9.4686 -9.4545 PRESSURE: 2010000 35.7208 78.8186 -22.1956 78.8187 93.5479 140.304 -22.1965 140.304 -27.0511 GPRESSURE: 2010000 109.847 142.029 -31.3865 211.936 139.378 116.595 -8.82898 168.573 -55.8714 PRESSAVG: 2010000 29.2294 28.7525 -4.98988 28.7526 2.47795 -11.5792 -4.98983 -11.5793 -2.94811 GPRESSAVG: 2010000 30.9994 29.933 -4.10843 31.2672 1.97279 -8.77492 -8.08947 -10.8105 -4.54802 TIMING: 2010000 CPU: 6338.9, 0.00315213/step Wall: 6338.9, 0.00315213/step, 2.61802 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2010000 4046.8280 20464.3449 14494.4057 251.2084 -203251.1302 2713.2876 0.0000 0.0000 52104.3036 -109176.7520 299.4441 -161281.0556 -108819.9142 299.9510 34.0725 64.4512 762081.0470 9.5864 9.4747 PRESSURE: 2010200 -148.24 -45.6297 148.15 -45.6299 -368.133 183.551 148.15 183.551 -96.3907 GPRESSURE: 2010200 -122.283 -69.3762 169.313 -107.001 -279.458 254.236 239.227 -13.7626 -126.682 PRESSAVG: 2010200 17.6536 60.7628 16.222 60.7627 -69.5574 48.738 16.222 48.7379 8.50335 GPRESSAVG: 2010200 17.1972 59.7679 14.9821 58.8515 -70.2564 47.7658 20.1365 46.2513 9.52924 TIMING: 2010200 CPU: 6339.53, 0.00314648/step Wall: 6339.53, 0.00314648/step, 2.61315 hours remaining, 239.324219 MB of memory in use. ENERGY: 2010200 3977.4192 20667.2533 14530.0262 232.3666 -203388.2210 2433.9084 0.0000 0.0000 52169.7947 -109377.4526 299.8205 -161547.2472 -109017.6069 299.6568 -204.2544 -176.1410 761791.2830 -14.4668 -14.5100 PRESSURE: 2010400 53.2971 -1.4214 164.778 -1.42114 -81.0247 -76.7929 164.778 -76.7944 -48.3325 GPRESSURE: 2010400 145.14 -20.9643 210.108 -71.5176 -72.6732 -102.76 34.9556 79.7044 -66.1719 PRESSAVG: 2010400 42.3532 24.7288 36.208 24.7287 -38.1663 9.48944 36.2081 9.48949 14.5039 GPRESSAVG: 2010400 43.0436 26.5346 36.9033 25.9521 -39.4354 9.21929 33.3707 11.3381 14.4685 TIMING: 2010400 CPU: 6340.16, 0.00314558/step Wall: 6340.16, 0.00314558/step, 2.61223 hours remaining, 239.324219 MB of memory in use. ENERGY: 2010400 4064.6672 20642.0532 14501.2133 235.2252 -203345.7949 2664.5664 0.0000 0.0000 51742.2673 -109495.8023 297.3635 -161238.0696 -109140.2500 299.2720 -25.3534 2.0984 762424.3355 6.2303 6.0256 PRESSURE: 2010600 107.353 -215.56 192.215 -215.56 97.5989 72.585 192.215 72.5845 219.585 GPRESSURE: 2010600 182.99 -150.582 163.326 -151.401 100.483 29.7681 113.762 -40.576 240.777 PRESSAVG: 2010600 44.5556 8.66711 20.0176 8.66711 -3.24504 -16.837 20.0176 -16.8371 8.52436 GPRESSAVG: 2010600 43.59 6.97357 19.6264 9.28036 -2.37434 -16.3769 19.0191 -17.0628 8.90687 TIMING: 2010600 CPU: 6340.79, 0.0031504/step Wall: 6340.79, 0.0031504/step, 2.61606 hours remaining, 239.324219 MB of memory in use. ENERGY: 2010600 3957.6530 20602.0899 14529.5131 253.1259 -203316.3099 2713.2768 0.0000 0.0000 51445.2528 -109815.3984 295.6566 -161260.6512 -109452.0189 298.8791 141.5122 174.7497 763126.6792 16.6116 16.7075 PRESSURE: 2010800 218.019 115.762 8.90963 115.762 -214.438 172.021 8.90957 172.023 -232.783 GPRESSURE: 2010800 215.136 168.955 -15.4559 121.351 -189.974 192.975 -118.133 146.701 -181.688 PRESSAVG: 2010800 62.5228 -27.1558 27.6217 -27.1558 -79.7646 -14.7025 27.6218 -14.7024 -17.4625 GPRESSAVG: 2010800 63.0568 -27.0637 28.1186 -29.8801 -80.4234 -14.874 28.5936 -15.1844 -17.9456 TIMING: 2010800 CPU: 6341.42, 0.00314189/step Wall: 6341.42, 0.00314189/step, 2.60881 hours remaining, 239.324219 MB of memory in use. ENERGY: 2010800 3933.1873 20672.2149 14428.4122 247.0225 -203611.6357 2604.6341 0.0000 0.0000 51962.3954 -109763.7694 298.6286 -161726.1648 -109408.3101 298.4436 -76.4009 -52.1755 760139.6948 -11.5681 -11.7707 PRESSURE: 2011000 -26.67 -54.8028 61.8924 -54.8034 -47.0906 -32.3012 61.8915 -32.3015 -156.231 GPRESSURE: 2011000 -20.6593 -23.9355 85.7616 17.3078 32.9997 11.0958 51.3582 -73.7798 -157.52 PRESSAVG: 2011000 56.5916 20.3995 9.92068 20.3995 -46.1948 -32.8626 9.92061 -32.8627 10.8985 GPRESSAVG: 2011000 55.5218 19.9152 10.4701 22.8269 -44.4212 -33.3147 10.1698 -31.3168 10.4594 TIMING: 2011000 CPU: 6342.05, 0.00313725/step Wall: 6342.05, 0.00313725/step, 2.60479 hours remaining, 239.324219 MB of memory in use. ENERGY: 2011000 4001.3011 20506.5773 14388.9633 249.5902 -203769.0886 2841.4441 0.0000 0.0000 51969.6776 -109811.5348 298.6705 -161781.2125 -109452.1629 298.8646 -76.6638 -48.3933 760212.5894 7.0984 7.1867 PRESSURE: 2011200 152.716 -43.6389 214.175 -43.6383 -19.7314 0.605424 214.175 0.605481 -369.032 GPRESSURE: 2011200 209.114 94.7847 171.316 -64.8657 -55.065 13.285 151.06 63.8839 -302.872 PRESSAVG: 2011200 39.5069 12.4136 2.95137 12.4136 -40.2083 -7.18685 2.95135 -7.18689 3.08734 GPRESSAVG: 2011200 40.4637 11.3694 2.89132 14.1566 -41.6878 -7.6586 2.30754 -9.4865 4.04229 TIMING: 2011200 CPU: 6342.68, 0.00317967/step Wall: 6342.68, 0.00317967/step, 2.63983 hours remaining, 239.324219 MB of memory in use. ENERGY: 2011200 3950.7896 20543.5173 14422.2329 242.6764 -203474.0798 2675.7145 0.0000 0.0000 51987.0142 -109652.1349 298.7701 -161639.1492 -109284.0807 298.4743 -78.6826 -49.6078 760609.3234 0.7953 0.9394 PRESSURE: 2011400 478.802 -98.2081 -256.413 -98.2082 -90.3381 -48.1423 -256.413 -48.1416 104.622 GPRESSURE: 2011400 483.411 -57.6877 -214.22 -64.6412 -60.3322 33.2611 -123.044 -136.903 154.559 PRESSAVG: 2011400 5.57557 -31.1018 47.8974 -31.1019 21.7474 33.797 47.8974 33.797 25.2435 GPRESSAVG: 2011400 5.94934 -28.504 47.2496 -34.8747 22.2131 33.2451 49.7302 33.5225 24.3114 TIMING: 2011400 CPU: 6343.31, 0.00316721/step Wall: 6343.31, 0.00316721/step, 2.62931 hours remaining, 239.324219 MB of memory in use. ENERGY: 2011400 3982.1755 20602.0434 14482.2004 252.0069 -203816.1664 2743.7362 0.0000 0.0000 52268.9227 -109485.0813 300.3902 -161754.0040 -109129.8315 299.4501 164.3620 192.5459 759481.1262 17.5222 17.4913 PRESSURE: 2011600 -34.472 -138.126 -202.852 -138.127 -78.7749 -134.878 -202.852 -134.878 194.354 GPRESSURE: 2011600 76.0912 -66.5213 -121.257 -215.04 -143.684 -57.4765 -236.922 -124.981 214.577 PRESSAVG: 2011600 105.159 -46.2037 -17.4168 -46.2038 -85.0688 18.4449 -17.4168 18.4449 5.93271 GPRESSAVG: 2011600 104.505 -47.4566 -16.1384 -43.1649 -84.7398 20.4764 -19.2813 19.8657 5.76447 TIMING: 2011600 CPU: 6343.95, 0.00318104/step Wall: 6343.95, 0.00318104/step, 2.64061 hours remaining, 239.324219 MB of memory in use. ENERGY: 2011600 3983.8727 20422.3344 14356.0651 281.0365 -203550.1056 2709.6629 0.0000 0.0000 52279.2208 -109517.9131 300.4494 -161797.1339 -109157.7284 300.1227 27.0356 48.9948 760580.6721 8.6744 8.5099 PRESSURE: 2011800 124.654 -144.308 95.2749 -144.307 -234.685 54.4502 95.275 54.4498 -73.5332 GPRESSURE: 2011800 83.7609 -110.944 81.0428 -132.666 -220.648 50.9024 135.699 -69.7051 5.2907 PRESSAVG: 2011800 52.1252 -5.6161 -10.9857 -5.61615 -29.3692 6.44483 -10.9857 6.44476 10.0971 GPRESSAVG: 2011800 52.2986 -4.81096 -11.4293 -6.67027 -29.4611 6.40485 -10.1755 5.86039 9.80635 TIMING: 2011800 CPU: 6344.58, 0.00314793/step Wall: 6344.58, 0.00314793/step, 2.61296 hours remaining, 239.324219 MB of memory in use. ENERGY: 2011800 4001.1409 20512.7295 14356.4695 246.8750 -203365.9339 2566.2262 0.0000 0.0000 52197.0769 -109485.4159 299.9773 -161682.4928 -109117.5822 299.5812 -61.1879 -43.8656 761305.3862 10.9510 10.8813 PRESSURE: 2012000 -375.954 44.4703 94.5748 44.4706 -155.777 -89.2741 94.5748 -89.275 -386.121 GPRESSURE: 2012000 -251.002 -51.8061 48.5626 125.427 -210.285 -153.38 25.7362 -54.1237 -375.314 PRESSAVG: 2012000 -5.71266 43.3527 30.2115 43.3527 19.1232 10.6179 30.2115 10.6179 8.13898 GPRESSAVG: 2012000 -5.40846 42.5874 30.5607 43.5991 18.432 9.30361 28.0365 11.3004 8.65729 TIMING: 2012000 CPU: 6345.21, 0.00314847/step Wall: 6345.21, 0.00314847/step, 2.61323 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2012000 3991.9245 20673.1300 14400.3854 256.1630 -203299.3238 2738.7222 0.0000 0.0000 51977.7808 -109261.2179 298.7170 -161238.9986 -108901.2084 299.9040 -305.9510 -278.8671 763043.1970 7.1832 7.2269 PRESSURE: 2012200 92.9156 -132.137 -225.328 -132.137 17.6019 -166.544 -225.329 -166.544 130.303 GPRESSURE: 2012200 104.041 -143.787 -207.231 -115.424 53.2256 -136.382 -273.352 -169.013 163.237 PRESSAVG: 2012200 32.4276 30.0755 -20.79 30.0755 -8.88456 13.7542 -20.79 13.7542 4.36532 GPRESSAVG: 2012200 31.6176 31.1938 -21.6033 29.7493 -8.63304 12.2354 -18.5158 14.4877 4.22635 TIMING: 2012200 CPU: 6345.84, 0.00314519/step Wall: 6345.84, 0.00314519/step, 2.61033 hours remaining, 239.324219 MB of memory in use. ENERGY: 2012200 3961.6722 20745.4019 14397.4035 224.6429 -203619.9127 2831.1888 0.0000 0.0000 52042.3136 -109417.2897 299.0879 -161459.6033 -109057.4814 299.9218 80.2734 106.8344 759955.5727 9.3028 9.0703 LDB: ============= START OF LOAD BALANCING ============== 6358.24 LDB: ============== END OF LOAD BALANCING =============== 6358.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6358.24 LDB: ============= START OF LOAD BALANCING ============== 6358.56 LDB: Largest compute 7034 load 0.034083 is 17.4% of average load 0.195986 LDB: Average compute 0.004405 is 2.2% of average load 0.195986 LDB: TIME 6358.56 LOAD: AVG 0.195986 MAX 0.217283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 6358.56 LOAD: AVG 0.195986 MAX 0.217283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: TIME 6358.56 LOAD: AVG 0.195986 MAX 0.217283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: ============== END OF LOAD BALANCING =============== 6358.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6358.57 PRESSURE: 2012400 -4.57684 11.6646 56.942 11.6642 -273.563 -260.227 56.9419 -260.228 92.1049 GPRESSURE: 2012400 -62.1865 -155.144 11.7233 -68.7279 -140.489 -266.626 55.9375 -205.934 99.72 PRESSAVG: 2012400 66.1954 -43.8759 48.0106 -43.8759 -22.3456 15.2137 48.0105 15.2136 -25.9409 GPRESSAVG: 2012400 67.0772 -44.1121 47.854 -46.378 -22.2698 16.9448 45.943 14.5578 -27.2683 TIMING: 2012400 CPU: 6346.49, 0.00323393/step Wall: 6346.49, 0.00323393/step, 2.6838 hours remaining, 239.890625 MB of memory in use. ENERGY: 2012400 4039.4568 20529.5089 14422.2416 251.6688 -202933.1268 2244.2593 0.0000 0.0000 52082.4988 -109363.4926 299.3188 -161445.9915 -108998.2469 299.3763 -62.0118 -34.3186 762551.1845 5.9696 5.8464 PRESSURE: 2012600 168.54 21.5171 30.5888 21.5175 -22.3299 -112.273 30.5888 -112.274 60.2548 GPRESSURE: 2012600 237.855 35.209 18.8127 70.3668 -52.5695 -71.3917 18.8742 -141.823 80.3873 PRESSAVG: 2012600 11.4685 -22.4497 26.2036 -22.4496 -27.8702 -25.0251 26.2035 -25.0251 -0.0206378 GPRESSAVG: 2012600 11.2533 -23.8429 26.3455 -20.0006 -29.1478 -24.9494 29.2078 -24.2308 1.37099 TIMING: 2012600 CPU: 6347.11, 0.00314289/step Wall: 6347.11, 0.00314289/step, 2.60807 hours remaining, 239.957031 MB of memory in use. ENERGY: 2012600 4062.2747 20448.3266 14368.3494 246.9339 -203052.9938 2372.4819 0.0000 0.0000 52126.4890 -109428.1382 299.5716 -161554.6272 -109064.5219 299.7275 68.8216 88.5577 760940.9427 -5.4741 -5.5079 PRESSURE: 2012800 44.4266 192.11 -140.675 192.11 355.172 234.225 -140.675 234.224 178.134 GPRESSURE: 2012800 179.85 153.732 -84.5593 130.937 306.007 321.856 -55.7621 62.4429 164.664 PRESSAVG: 2012800 76.8031 -6.63961 -59.4793 -6.63963 -74.4914 17.2763 -59.4794 17.2763 -10.5439 GPRESSAVG: 2012800 77.756 -4.62053 -60.485 -8.4137 -74.7676 16.9321 -59.6082 16.4093 -11.0703 TIMING: 2012800 CPU: 6347.75, 0.00315409/step Wall: 6347.75, 0.00315409/step, 2.61719 hours remaining, 239.957031 MB of memory in use. ENERGY: 2012800 3837.3481 20601.0458 14376.4413 233.1102 -203335.8713 2797.8043 0.0000 0.0000 52094.4373 -109395.6843 299.3874 -161490.1217 -109031.9454 299.3567 192.5775 216.8403 758528.0829 -2.7441 -2.6939 PRESSURE: 2013000 128.917 21.648 -249.956 21.6477 117.804 -1.21272 -249.956 -1.21308 353.487 GPRESSURE: 2013000 196.613 44.5756 -235.1 -119.594 146.606 -33.3955 -82.8703 -136.75 345.289 PRESSAVG: 2013000 46.095 -2.28876 2.59074 -2.28883 -36.3802 15.5734 2.59076 15.5734 7.10592 GPRESSAVG: 2013000 44.8847 -2.37675 3.91906 -0.958551 -34.826 15.0253 1.60938 15.3199 6.46127 TIMING: 2013000 CPU: 6348.38, 0.00317025/step Wall: 6348.38, 0.00317025/step, 2.63042 hours remaining, 239.957031 MB of memory in use. ENERGY: 2013000 3883.5056 20584.9062 14406.7260 250.3334 -203148.2481 2575.3149 0.0000 0.0000 52140.6701 -109306.7919 299.6531 -161447.4620 -108932.9980 299.6097 200.0692 229.5028 759541.7521 5.6069 5.5067 PRESSURE: 2013200 -326.093 75.7017 -146.362 75.7019 -354.828 -116.497 -146.361 -116.497 -56.0394 GPRESSURE: 2013200 -222.676 35.4425 -27.224 61.9331 -418.289 -127.982 -17.3502 -39.5205 -10.6338 PRESSAVG: 2013200 28.976 18.8105 10.8907 18.8106 -24.5895 -28.1017 10.8907 -28.1017 2.66804 GPRESSAVG: 2013200 30.6215 18.8636 10.6774 18.8472 -24.8802 -26.6722 10.1762 -27.9461 1.75615 TIMING: 2013200 CPU: 6349.01, 0.00317232/step Wall: 6349.01, 0.00317232/step, 2.63197 hours remaining, 239.957031 MB of memory in use. ENERGY: 2013200 3984.7562 20511.2962 14449.6734 275.7305 -203037.6699 2360.5115 0.0000 0.0000 52152.6934 -109303.0087 299.7222 -161455.7022 -108944.2436 299.6054 -245.6534 -217.1997 761935.9089 2.3515 2.4991 PRESSURE: 2013400 419.441 -162.902 -27.5766 -162.901 438.009 268.206 -27.5759 268.205 129.877 GPRESSURE: 2013400 490.005 -223.671 78.2724 -127.745 485.066 322.538 -96.8031 227.263 96.7077 PRESSAVG: 2013400 7.51409 -5.39072 -34.8466 -5.39066 31.7371 8.62987 -34.8466 8.62988 -4.12084 GPRESSAVG: 2013400 7.80371 -7.4378 -35.7412 -4.62968 30.8114 8.4856 -33.072 7.74854 -3.62781 TIMING: 2013400 CPU: 6349.64, 0.00315038/step Wall: 6349.64, 0.00315038/step, 2.61359 hours remaining, 239.957031 MB of memory in use. ENERGY: 2013400 4074.9852 20636.6970 14422.4001 266.6947 -203330.1094 2596.5184 0.0000 0.0000 52061.9142 -109270.8998 299.2005 -161332.8140 -108903.7377 299.5131 329.1090 357.2597 759023.7637 11.7101 11.6624 PRESSURE: 2013600 -65.7437 -6.04631 21.5433 -6.04665 433.299 -59.8248 21.5443 -59.8242 128.371 GPRESSURE: 2013600 -31.2463 -69.0094 61.616 -5.82856 417.361 -111.507 -78.9378 22.2395 184.977 PRESSAVG: 2013600 31.9362 -6.45141 -6.92106 -6.45137 -24.6391 24.0193 -6.92101 24.0192 1.21738 GPRESSAVG: 2013600 29.2867 -4.95875 -6.93644 -7.0353 -23.7902 24.9196 -8.26767 24.6819 3.41039 TIMING: 2013600 CPU: 6350.28, 0.0031683/step Wall: 6350.28, 0.0031683/step, 2.62828 hours remaining, 239.957031 MB of memory in use. ENERGY: 2013600 3987.1770 20456.7789 14442.1800 258.9233 -203404.9533 2901.1224 0.0000 0.0000 52080.0705 -109278.7013 299.3049 -161358.7717 -108910.5104 299.7644 165.3088 190.3640 762592.8506 2.8381 2.9690 PRESSURE: 2013800 -112.954 -13.7562 -65.5634 -13.7576 134.971 50.8135 -65.5632 50.8125 326.544 GPRESSURE: 2013800 -73.7353 51.3356 -103.665 91.4535 159.065 10.4856 -100.867 70.355 335.543 PRESSAVG: 2013800 29.07 13.7355 -13.8111 13.7355 -13.6147 -4.11633 -13.8111 -4.11637 -1.0841 GPRESSAVG: 2013800 29.2189 15.3573 -15.7005 15.3674 -12.4247 -5.73328 -12.531 -4.76927 -2.3779 TIMING: 2013800 CPU: 6350.91, 0.00315651/step Wall: 6350.91, 0.00315651/step, 2.61833 hours remaining, 239.957031 MB of memory in use. ENERGY: 2013800 3923.7030 20399.2715 14404.8162 242.9137 -203520.8373 2739.8376 0.0000 0.0000 52401.6368 -109408.6585 301.1529 -161810.2953 -109055.5165 299.4556 116.1872 140.2911 762057.0880 4.7904 4.8054 PRESSURE: 2014000 -142.248 138.149 132.698 138.149 -167.917 -139.676 132.698 -139.677 -219.222 GPRESSURE: 2014000 -89.9035 160.685 142.372 107.146 -183.57 -98.1458 36.1898 -189.643 -177.08 PRESSAVG: 2014000 85.414 -9.42286 -28.559 -9.42287 -25.1971 -4.5792 -28.5591 -4.57916 4.52798 GPRESSAVG: 2014000 85.6526 -10.1765 -26.3077 -10.7076 -26.1533 -5.03475 -29.2686 -3.17959 4.91012 TIMING: 2014000 CPU: 6351.54, 0.00315295/step Wall: 6351.54, 0.00315295/step, 2.6152 hours remaining, 239.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2014000 4028.1249 20526.9873 14467.5311 246.8008 -203294.7859 2533.1082 0.0000 0.0000 52150.9214 -109341.3121 299.7121 -161492.2335 -108983.3961 299.4521 -176.4625 -150.1846 761224.0232 21.5816 21.4698 PRESSURE: 2014200 -28.2147 -84.3586 -187.139 -84.3585 -150.755 1.55824 -187.139 1.55797 -403.337 GPRESSURE: 2014200 -45.9075 -67.277 -222.821 -144.769 -82.3231 -52.5514 -152.335 -13.8151 -356.712 PRESSAVG: 2014200 22.6646 0.797166 14.2298 0.797156 -4.17529 -33.7236 14.2298 -33.7236 -3.30929 GPRESSAVG: 2014200 23.1365 1.41364 13.9954 -1.32514 -5.58598 -32.8284 15.2522 -35.868 -2.50254 TIMING: 2014200 CPU: 6352.17, 0.00315575/step Wall: 6352.17, 0.00315575/step, 2.61735 hours remaining, 239.957031 MB of memory in use. ENERGY: 2014200 3974.7013 20613.3637 14420.1953 267.4058 -203083.2260 2453.4201 0.0000 0.0000 52140.3198 -109213.8200 299.6511 -161354.1398 -108860.5382 299.2127 -194.1020 -161.6475 762852.1556 5.0600 5.0160 PRESSURE: 2014400 461.333 -0.099019 -102.043 -0.0985838 39.2582 116.376 -102.043 116.376 359.662 GPRESSURE: 2014400 478.858 -0.237604 -83.6602 -5.52347 151.544 107.423 -191.34 185.752 319.048 PRESSAVG: 2014400 77.0111 7.76553 -50.0794 7.76552 -59.4968 41.2819 -50.0795 41.2818 -7.20146 GPRESSAVG: 2014400 76.6999 7.19349 -51.2612 9.25879 -60.1658 40.4331 -50.0546 42.7255 -7.37922 TIMING: 2014400 CPU: 6352.8, 0.00314317/step Wall: 6352.8, 0.00314317/step, 2.60674 hours remaining, 239.957031 MB of memory in use. ENERGY: 2014400 3921.0866 20462.4934 14449.9625 251.3777 -203561.8161 2556.5118 0.0000 0.0000 52428.5611 -109491.8230 301.3077 -161920.3841 -109129.4445 299.3665 286.7509 316.4834 760527.6182 3.4376 3.0516 PRESSURE: 2014600 -264.105 -6.42278 58.2825 -6.42234 -217.905 44.5301 58.2825 44.5302 135.294 GPRESSURE: 2014600 -234.894 -60.2131 171.707 33.8213 -210.531 -14.2546 -76.1153 97.0628 181.006 PRESSAVG: 2014600 34.8926 -34.9178 -41.4791 -34.9178 -72.8009 67.5104 -41.4791 67.5104 -3.5894 GPRESSAVG: 2014600 34.9776 -33.8498 -40.3613 -33.8426 -71.3708 68.7961 -43.482 68.3554 -4.97503 TIMING: 2014600 CPU: 6353.43, 0.00317187/step Wall: 6353.43, 0.00317187/step, 2.63036 hours remaining, 239.957031 MB of memory in use. ENERGY: 2014600 3983.2632 20513.7418 14507.6638 240.5750 -202761.7963 2108.0142 0.0000 0.0000 51917.1859 -109491.3524 298.3688 -161408.5383 -109137.4519 298.4909 -115.5721 -88.1400 761897.8817 -13.8326 -13.7894 PRESSURE: 2014800 -80.184 -0.961717 -24.6763 -0.961969 -112.108 146.728 -24.6772 146.73 487.594 GPRESSURE: 2014800 -28.0982 -126.609 -40.4936 16.1397 -86.2392 78.3726 91.1525 146.855 494.357 PRESSAVG: 2014800 33.468 -40.5459 -5.52203 -40.5458 -82.9741 -15.3159 -5.522 -15.3159 18.6562 GPRESSAVG: 2014800 33.0312 -42.275 -6.64953 -40.4622 -82.34 -15.1719 -4.29281 -16.6652 18.8606 TIMING: 2014800 CPU: 6354.06, 0.00314595/step Wall: 6354.06, 0.00314595/step, 2.60869 hours remaining, 239.957031 MB of memory in use. ENERGY: 2014800 4028.5529 20455.1564 14518.3207 241.4560 -202920.8995 2462.7762 0.0000 0.0000 51831.9050 -109382.7324 297.8787 -161214.6374 -109028.7959 298.6772 98.4339 126.6733 763636.5934 -10.2833 -10.1494 PRESSURE: 2015000 -136.237 -215.091 -302.264 -215.092 89.6145 -7.79858 -302.264 -7.79775 -90.4246 GPRESSURE: 2015000 -49.3836 -156.681 -265.905 -113.529 77.4016 63.6487 -192.219 -117.905 -83.8449 PRESSAVG: 2015000 22.1845 -2.74387 -19.4435 -2.74394 -42.1494 -18.7509 -19.4435 -18.751 5.6704 GPRESSAVG: 2015000 22.2382 -4.17405 -18.0206 -3.06624 -42.8383 -19.5697 -20.8578 -17.2945 6.11281 TIMING: 2015000 CPU: 6354.69, 0.00315583/step Wall: 6354.69, 0.00315583/step, 2.61671 hours remaining, 239.957031 MB of memory in use. ENERGY: 2015000 3987.8842 20474.0781 14450.7115 249.6175 -203187.8931 2495.3649 0.0000 0.0000 52105.0611 -109425.1758 299.4485 -161530.2369 -109067.6415 299.2132 -45.6825 -18.6090 762183.2729 -4.7649 -4.8291 PRESSURE: 2015200 -72.2978 167.8 -207.179 167.8 -55.8747 115.28 -207.179 115.28 -302.771 GPRESSURE: 2015200 -109.861 -2.1284 -268.967 199.398 11.4456 63.528 -154.55 185.848 -264.956 PRESSAVG: 2015200 39.5593 25.0356 -16.1435 25.0355 -42.0888 47.3005 -16.1435 47.3006 13.9109 GPRESSAVG: 2015200 39.5795 27.6497 -16.8781 25.4325 -41.1971 47.644 -15.5135 44.9173 13.0936 TIMING: 2015200 CPU: 6355.32, 0.00314039/step Wall: 6355.32, 0.00314039/step, 2.60373 hours remaining, 239.957031 MB of memory in use. ENERGY: 2015200 3939.3815 20444.8156 14428.1625 254.0630 -203215.0034 2623.8819 0.0000 0.0000 52036.1966 -109488.5023 299.0527 -161524.6989 -109133.7822 299.1575 -143.6478 -121.1238 761644.3106 3.7938 3.8253 PRESSURE: 2015400 -264.952 183.792 -107.077 183.792 -203.383 -44.5403 -107.077 -44.5408 549.185 GPRESSURE: 2015400 -185.823 170.167 -70.9151 153.079 -153.794 -38.3233 -101.762 -2.44873 531.166 PRESSAVG: 2015400 6.42044 -46.6406 25.7189 -46.6405 -1.45241 43.7431 25.7189 43.7432 -9.30116 GPRESSAVG: 2015400 6.87093 -47.5129 25.9247 -47.8266 -2.21894 43.3313 25.6006 43.3893 -9.14674 TIMING: 2015400 CPU: 6355.95, 0.00315942/step Wall: 6355.95, 0.00315942/step, 2.61933 hours remaining, 239.957031 MB of memory in use. ENERGY: 2015400 4015.5150 20434.5617 14343.5139 232.5433 -203240.2617 2611.1222 0.0000 0.0000 52142.5814 -109460.4242 299.6641 -161603.0055 -109093.6280 299.3071 26.9497 63.8495 761246.3223 -1.4444 -1.4982 PRESSURE: 2015600 -388.113 -25.9949 327.631 -25.9951 -166.265 50.6152 327.631 50.6139 -255.065 GPRESSURE: 2015600 -298.706 157.025 264.054 -84.2287 -156.321 45.313 165.615 21.4366 -255.04 PRESSAVG: 2015600 50.4093 4.8359 32.9664 4.83591 -56.7912 5.58306 32.9664 5.58306 4.02389 GPRESSAVG: 2015600 48.5114 4.28977 31.6039 5.11332 -56.3366 5.75957 33.623 7.02107 5.73368 TIMING: 2015600 CPU: 6356.59, 0.00315701/step Wall: 6356.59, 0.00315701/step, 2.61716 hours remaining, 239.957031 MB of memory in use. ENERGY: 2015600 3977.7951 20434.0349 14435.3796 241.0465 -203092.8899 2583.7012 0.0000 0.0000 51985.4141 -109435.5186 298.7609 -161420.9327 -109068.0032 299.3011 -269.8142 -236.6892 762521.7605 -0.7860 -0.6972 PRESSURE: 2015800 170.973 -0.146911 -52.5956 -0.146953 -411.425 98.4593 -52.5957 98.4599 83.4641 GPRESSURE: 2015800 156.339 70.1454 -62.8659 35.6611 -300.187 -14.5546 7.45064 202.445 67.3932 PRESSAVG: 2015800 -6.86864 57.2528 -13.8494 57.2527 -15.4944 33.0411 -13.8494 33.0411 1.65025 GPRESSAVG: 2015800 -7.04331 59.3659 -12.6726 58.6941 -15.3968 32.1341 -16.0925 33.5352 0.931503 TIMING: 2015800 CPU: 6357.21, 0.00314073/step Wall: 6357.21, 0.00314073/step, 2.60349 hours remaining, 239.957031 MB of memory in use. ENERGY: 2015800 3936.3693 20741.3465 14492.8669 252.4892 -202946.2187 2425.0464 0.0000 0.0000 52052.4041 -109045.6964 299.1459 -161098.1005 -108684.3537 299.4297 -52.3294 -25.4848 762392.7110 -6.9043 -7.1695 PRESSURE: 2016000 91.6107 -63.9984 -253.835 -63.9986 -127.931 -54.6433 -253.836 -54.6431 189.772 GPRESSURE: 2016000 120.608 -129.082 -227.719 -158.83 -116.857 -24.921 -157.722 86.8109 221.814 PRESSAVG: 2016000 34.9379 17.0545 7.53463 17.0545 -54.4823 51.9881 7.53461 51.9882 -19.8242 GPRESSAVG: 2016000 37.3956 15.7829 8.55124 14.8886 -56.1676 52.8323 8.27259 52.7976 -21.1075 TIMING: 2016000 CPU: 6357.84, 0.00313661/step Wall: 6357.84, 0.00313661/step, 2.5999 hours remaining, 239.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2016000 4006.2497 20547.0624 14449.1106 237.5512 -203087.6741 2507.6856 0.0000 0.0000 52081.6185 -109258.3961 299.3138 -161340.0146 -108883.7934 299.5733 51.1507 75.1884 760573.4385 -13.1229 -13.2931 PRESSURE: 2016200 -219.745 -36.7978 -181.788 -36.7976 158.861 -81.9581 -181.788 -81.9574 244.068 GPRESSURE: 2016200 -206.646 129.284 -214.882 -84.5782 103.738 -4.90123 -123.927 -144.733 368.652 PRESSAVG: 2016200 53.6439 -38.3121 26.2595 -38.3121 -16.8496 22.199 26.2595 22.199 -25.8975 GPRESSAVG: 2016200 51.2126 -38.4007 23.5592 -36.4814 -15.9784 23.6015 28.2441 19.8576 -24.5126 TIMING: 2016200 CPU: 6358.47, 0.00316817/step Wall: 6358.47, 0.00316817/step, 2.62588 hours remaining, 239.957031 MB of memory in use. ENERGY: 2016200 4025.4870 20592.8511 14442.5505 255.8691 -203319.5240 2483.5422 0.0000 0.0000 52192.1888 -109327.0353 299.9492 -161519.2241 -108967.1349 299.8816 61.0612 88.5812 760285.8897 3.6322 3.5739 LDB: ============= START OF LOAD BALANCING ============== 6370.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6370.88 LDB: =============== DONE WITH MIGRATION ================ 6370.88 LDB: ============= START OF LOAD BALANCING ============== 6371.2 LDB: Largest compute 7025 load 0.034347 is 17.5% of average load 0.195992 LDB: Average compute 0.004424 is 2.3% of average load 0.195992 LDB: TIME 6371.2 LOAD: AVG 0.195992 MAX 0.217797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.715 MB LDB: TIME 6371.2 LOAD: AVG 0.195992 MAX 0.217797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.918 MB LDB: TIME 6371.2 LOAD: AVG 0.195992 MAX 0.217797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.918 MB LDB: ============== END OF LOAD BALANCING =============== 6371.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6371.21 PRESSURE: 2016400 -201.889 -16.4836 87.0328 -16.4832 -352.055 82.5695 87.0332 82.5697 -311.749 GPRESSURE: 2016400 -174.212 -151.742 138.175 58.1707 -314.627 108.492 189.208 16.8991 -288.374 PRESSAVG: 2016400 35.9216 -26.9192 -30.9177 -26.9192 -7.44611 -6.18168 -30.9177 -6.18165 0.640681 GPRESSAVG: 2016400 36.6147 -25.6291 -29.0437 -26.7047 -7.99503 -7.3548 -32.8284 -5.10836 0.0558605 TIMING: 2016400 CPU: 6359.12, 0.00324681/step Wall: 6359.12, 0.00324681/step, 2.69088 hours remaining, 237.695312 MB of memory in use. ENERGY: 2016400 4065.3601 20422.0714 14473.2820 260.5089 -203539.6515 2688.3559 0.0000 0.0000 52137.0626 -109493.0107 299.6324 -161630.0733 -109121.9231 299.5632 -288.5644 -259.0711 760742.9558 9.7054 9.5585 PRESSURE: 2016600 -226.743 122.552 87.8298 122.551 -163.786 -117.143 87.8298 -117.144 -266.73 GPRESSURE: 2016600 -205.413 125.861 120.303 97.5526 -116.091 -38.908 55.0056 -59.5397 -238.882 PRESSAVG: 2016600 -19.2056 -5.21901 3.40842 -5.219 14.2533 -14.7243 3.40848 -14.7243 -3.15367 GPRESSAVG: 2016600 -19.8169 -6.46477 2.83505 -5.30889 15.9635 -14.1581 3.16464 -16.7793 -4.09278 TIMING: 2016600 CPU: 6359.75, 0.00314753/step Wall: 6359.75, 0.00314752/step, 2.60842 hours remaining, 237.695312 MB of memory in use. ENERGY: 2016600 3955.2417 20499.8933 14449.3363 260.5668 -202773.9992 2297.3349 0.0000 0.0000 51821.3253 -109490.3009 297.8179 -161311.6262 -109123.3984 298.5660 -219.0862 -186.7952 760956.1801 -2.7020 -2.6487 PRESSURE: 2016800 -309.149 21.1448 -310.011 21.1443 18.321 -270.686 -310.011 -270.684 138.225 GPRESSURE: 2016800 -201.269 125.366 -231.994 25.1247 16.092 -258.337 -171.081 -207.498 115.622 PRESSAVG: 2016800 25.0106 9.68831 -6.79023 9.68831 0.327181 37.8873 -6.79025 37.8873 25.6962 GPRESSAVG: 2016800 25.4392 11.1556 -6.13144 11.2046 -1.51498 37.082 -5.39668 39.2182 26.7153 TIMING: 2016800 CPU: 6360.39, 0.00316303/step Wall: 6360.39, 0.00316303/step, 2.6211 hours remaining, 237.695312 MB of memory in use. ENERGY: 2016800 3985.9400 20535.0501 14409.5904 268.1452 -203572.1248 2865.5902 0.0000 0.0000 51944.5210 -109563.2879 298.5259 -161507.8089 -109199.8449 298.8270 -50.8678 -23.1850 760679.9737 17.0113 16.8798 PRESSURE: 2017000 86.2109 -155.57 187.256 -155.57 36.069 24.9908 187.256 24.992 -33.6352 GPRESSURE: 2017000 101.793 -233.816 163.993 -83.1614 47.4259 30.6828 161.05 97.8251 32.787 PRESSAVG: 2017000 35.9795 -17.4394 -11.2033 -17.4394 0.443238 -16.7908 -11.2033 -16.7907 10.5679 GPRESSAVG: 2017000 34.8966 -18.2621 -10.961 -19.4825 1.37963 -17.3803 -10.9376 -16.4194 11.0865 TIMING: 2017000 CPU: 6361.02, 0.00315437/step Wall: 6361.02, 0.00315437/step, 2.61374 hours remaining, 237.695312 MB of memory in use. ENERGY: 2017000 3962.8065 20539.2879 14506.6352 246.4303 -203552.4143 2716.9858 0.0000 0.0000 51972.7859 -109607.4826 298.6883 -161580.2686 -109239.6662 298.8370 29.5482 60.6686 760438.4756 15.6635 15.7876 PRESSURE: 2017200 -341.73 151.568 -95.8666 151.568 -236.753 -127.761 -95.8664 -127.76 -553.08 GPRESSURE: 2017200 -254.19 283.647 -75.802 134.349 -222.931 -186.146 -101.772 -125.471 -583.456 PRESSAVG: 2017200 47.8303 35.7665 3.06544 35.7664 -42.5586 -50.8945 3.06547 -50.8945 18.8078 GPRESSAVG: 2017200 49.8749 35.3204 2.37303 37.9014 -42.6892 -50.9001 2.40754 -51.2792 17.0664 TIMING: 2017200 CPU: 6361.65, 0.00314443/step Wall: 6361.65, 0.00314443/step, 2.60534 hours remaining, 237.695312 MB of memory in use. ENERGY: 2017200 4013.7986 20566.2900 14401.3613 207.3470 -202930.5316 2161.2812 0.0000 0.0000 51885.3191 -109695.1343 298.1856 -161580.4534 -109329.3863 298.8930 -377.1877 -353.5255 760906.6865 8.0265 8.0840 PRESSURE: 2017400 -153.03 -5.22686 83.7443 -5.22612 141.071 -92.2173 83.7441 -92.2178 180.22 GPRESSURE: 2017400 -79.9956 6.33558 80.162 13.0387 127.406 -95.744 122.644 -3.18101 220.078 PRESSAVG: 2017400 -0.215441 17.2779 23.8773 17.2778 -7.29109 -16.5143 23.8773 -16.5143 -2.77458 GPRESSAVG: 2017400 -1.04142 17.9713 21.6423 16.3389 -7.20134 -14.8684 25.4295 -16.626 -1.58598 TIMING: 2017400 CPU: 6362.28, 0.00316164/step Wall: 6362.28, 0.00316164/step, 2.61942 hours remaining, 237.695312 MB of memory in use. ENERGY: 2017400 3994.4412 20663.7715 14373.8938 243.6852 -203604.5449 2650.7427 0.0000 0.0000 52083.4167 -109594.5937 299.3241 -161678.0105 -109237.5294 299.1512 56.0869 89.1629 760166.8683 -3.4270 -3.2763 PRESSURE: 2017600 -170.59 -154.107 164.149 -154.107 -49.9196 -106.604 164.149 -106.603 -160.787 GPRESSURE: 2017600 -100.333 -120.415 33.586 -146.367 -75.2516 -123.488 103.942 -85.2321 -125.37 PRESSAVG: 2017600 -2.98825 -8.9705 3.10696 -8.97043 45.5069 -22.6234 3.10701 -22.6233 -23.5259 GPRESSAVG: 2017600 -3.19227 -10.0495 4.34796 -8.92792 44.5952 -24.4387 3.01206 -21.1819 -22.4929 TIMING: 2017600 CPU: 6362.91, 0.00315238/step Wall: 6362.91, 0.00315238/step, 2.61157 hours remaining, 237.695312 MB of memory in use. ENERGY: 2017600 4034.8745 20542.2056 14499.9676 262.7872 -202942.4759 2140.9433 0.0000 0.0000 52141.5348 -109320.1628 299.6581 -161461.6976 -108961.5877 299.6508 -127.0986 -100.3182 760691.3116 6.3309 6.3033 PRESSURE: 2017800 56.4829 -207.445 -111.447 -207.445 -27.4449 27.7771 -111.447 27.777 -316.859 GPRESSURE: 2017800 9.71058 -21.4477 -129.062 -222.045 35.1615 92.4319 -11.6112 -25.6131 -267.851 PRESSAVG: 2017800 39.7611 -11.4522 4.57578 -11.4523 -12.3592 27.2201 4.57581 27.22 3.56141 GPRESSAVG: 2017800 39.4124 -7.90606 6.24048 -13.3095 -10.486 27.4164 5.42727 28.4056 2.91043 TIMING: 2017800 CPU: 6363.54, 0.00317183/step Wall: 6363.54, 0.00317183/step, 2.62751 hours remaining, 237.695312 MB of memory in use. ENERGY: 2017800 4017.0290 20634.6686 14400.8327 260.7007 -203424.2799 2450.6236 0.0000 0.0000 52207.6080 -109452.8173 300.0378 -161660.4253 -109084.6666 299.8175 -95.9403 -74.3263 759725.5201 10.3211 10.6123 PRESSURE: 2018000 -169.204 80.6128 -120.038 80.612 -0.744798 186.961 -120.038 186.962 76.1689 GPRESSURE: 2018000 -130.378 114.349 -180.131 50.1437 61.341 168.72 -118.63 171.55 75.6014 PRESSAVG: 2018000 33.7405 -29.5925 -5.11778 -29.5926 -44.7727 23.1484 -5.11773 23.1484 3.22469 GPRESSAVG: 2018000 33.938 -32.4362 -6.02345 -28.7876 -44.4174 24.7499 -5.92597 18.5208 2.60527 TIMING: 2018000 CPU: 6364.17, 0.00315783/step Wall: 6364.17, 0.00315783/step, 2.61573 hours remaining, 237.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2018000 3999.6247 20663.4707 14525.6993 240.9769 -203366.3220 2703.0266 0.0000 0.0000 51953.1063 -109280.4175 298.5752 -161233.5238 -108915.7009 300.0332 -31.2600 2.1882 760254.2540 -2.6025 -2.6247 PRESSURE: 2018200 77.2981 -6.5862 1.75871 -6.58614 137.917 185.205 1.75828 185.204 -103.613 GPRESSURE: 2018200 159.446 4.2116 90.8307 50.7035 118.01 223.098 -41.6826 293.318 -59.5655 PRESSAVG: 2018200 -37.7964 44.9891 -13.0281 44.9892 25.5728 24.9537 -13.0281 24.9537 -8.76485 GPRESSAVG: 2018200 -36.7306 46.406 -13.8085 44.9236 22.9612 24.3333 -13.3934 26.8602 -7.27504 TIMING: 2018200 CPU: 6364.81, 0.00315853/step Wall: 6364.81, 0.00315853/step, 2.61614 hours remaining, 237.695312 MB of memory in use. ENERGY: 2018200 3994.9839 20707.0431 14403.6380 244.8191 -203382.4120 2784.7937 0.0000 0.0000 52026.7104 -109220.4238 298.9982 -161247.1342 -108870.4803 300.7506 37.2008 72.6302 759799.0660 -6.9961 -7.0148 PRESSURE: 2018400 -20.0159 77.9873 -24.7408 77.988 -186.408 167.193 -24.741 167.192 -167.605 GPRESSURE: 2018400 58.0763 33.9449 76.0228 -0.23202 -235.584 209.125 40.4667 56.3661 -98.83 PRESSAVG: 2018400 43.1859 11.0011 41.4404 11.0011 -3.53033 35.8199 41.4404 35.8198 30.3913 GPRESSAVG: 2018400 42.9886 12.3195 42.1721 10.5822 -2.93788 36.7785 41.9573 35.2765 29.0967 TIMING: 2018400 CPU: 6365.44, 0.00317766/step Wall: 6365.44, 0.00317766/step, 2.63181 hours remaining, 237.695312 MB of memory in use. ENERGY: 2018400 3995.8350 20811.8071 14433.4909 237.6906 -203376.6850 2466.4395 0.0000 0.0000 52179.7929 -109251.6289 299.8780 -161431.4218 -108886.9470 300.6543 -124.6763 -92.1126 759607.7862 23.3489 23.0492 PRESSURE: 2018600 -120.151 -62.0349 -197.253 -62.0348 -198.362 4.37294 -197.254 4.37265 -3.81283 GPRESSURE: 2018600 -103.619 -185.138 -235.944 -136.89 -152.607 11.5112 -135.063 56.1102 44.5681 PRESSAVG: 2018600 -2.86504 38.8091 31.1915 38.8091 -0.204462 -10.0436 31.1915 -10.0436 -1.74937 GPRESSAVG: 2018600 -2.89605 35.9218 30.1824 39.3326 -0.357424 -12.5017 33.4462 -9.69173 -1.36906 TIMING: 2018600 CPU: 6366.07, 0.0031574/step Wall: 6366.07, 0.0031574/step, 2.61486 hours remaining, 237.695312 MB of memory in use. ENERGY: 2018600 4007.1959 20555.7235 14441.3728 245.8312 -203211.9882 2409.7518 0.0000 0.0000 52165.0310 -109387.0821 299.7931 -161552.1131 -109022.1690 300.3906 -107.4418 -70.5528 760547.0971 -1.6063 -1.5408 PRESSURE: 2018800 -116.512 -115.578 35.3875 -115.579 3.81526 49.8688 35.3872 49.8682 -161.682 GPRESSURE: 2018800 -37.9455 8.53782 -25.8858 28.8241 -33.4274 102.723 -18.7537 87.2227 -121.619 PRESSAVG: 2018800 -38.0403 -44.5455 31.0728 -44.5454 -21.8831 53.1347 31.0729 53.1346 0.610238 GPRESSAVG: 2018800 -37.6844 -43.0324 29.5911 -43.4586 -20.9766 55.1763 29.2331 53.2942 -0.261085 TIMING: 2018800 CPU: 6366.7, 0.00313712/step Wall: 6366.7, 0.00313712/step, 2.59789 hours remaining, 237.695312 MB of memory in use. ENERGY: 2018800 3960.8869 20581.9515 14399.7705 243.1091 -203235.7370 2450.5204 0.0000 0.0000 52184.4054 -109415.0931 299.9045 -161599.4986 -109059.7712 299.5351 -91.4598 -64.3307 760482.6341 -19.7710 -19.6407 PRESSURE: 2019000 -353.66 83.7471 28.3273 83.748 -131.71 191.551 28.3273 191.551 -343.265 GPRESSURE: 2019000 -316.365 53.9102 81.467 65.6049 -82.8218 211.423 9.43389 117.216 -358.585 PRESSAVG: 2019000 1.05311 68.1079 -5.41221 68.1079 -0.910338 30.5426 -5.41223 30.5426 20.2248 GPRESSAVG: 2019000 0.548276 68.5357 -2.7537 68.3356 -1.19326 28.193 -4.64189 31.5028 20.6387 TIMING: 2019000 CPU: 6367.33, 0.00314605/step Wall: 6367.33, 0.00314605/step, 2.60511 hours remaining, 237.695312 MB of memory in use. ENERGY: 2019000 3979.0954 20475.6066 14539.9857 239.6813 -202868.1813 2225.7722 0.0000 0.0000 52105.9750 -109302.0652 299.4538 -161408.0402 -108929.5837 299.5542 -276.2116 -252.5907 761878.7021 6.7892 6.6646 PRESSURE: 2019200 119.16 -233.801 -198.343 -233.801 317.228 -62.9524 -198.343 -62.9518 154.073 GPRESSURE: 2019200 191.605 -333.183 -162.663 -367.208 337.466 -20.6089 -177.091 -100.882 142.268 PRESSAVG: 2019200 12.1284 11.9334 -24.376 11.9333 -19.4346 22.3508 -24.376 22.3509 -21.8495 GPRESSAVG: 2019200 11.8992 11.4857 -23.5991 10.4963 -19.611 24.4886 -27.0397 20.9593 -21.7007 TIMING: 2019200 CPU: 6367.96, 0.00314951/step Wall: 6367.96, 0.00314951/step, 2.60779 hours remaining, 237.695312 MB of memory in use. ENERGY: 2019200 4001.1845 20443.2451 14470.7738 230.9980 -203450.4240 2685.5452 0.0000 0.0000 51936.6618 -109682.0155 298.4807 -161618.6774 -109321.2607 298.8497 196.8201 223.7797 759416.3858 -9.7186 -9.8042 PRESSURE: 2019400 -10.6468 -61.4038 -286.419 -61.4034 217.739 76.4598 -286.419 76.4595 -50.8818 GPRESSURE: 2019400 47.4534 -172.428 -276.497 91.9692 224.016 134.387 -291.424 151.782 -20.6571 PRESSAVG: 2019400 3.95683 7.67201 -63.6018 7.672 -49.3433 8.50515 -63.6019 8.50514 -10.1156 GPRESSAVG: 2019400 3.05663 8.79781 -63.8456 8.16869 -47.9581 7.71976 -61.4095 9.50869 -10.5204 TIMING: 2019400 CPU: 6368.59, 0.00317048/step Wall: 6368.59, 0.00317048/step, 2.62498 hours remaining, 237.695312 MB of memory in use. ENERGY: 2019400 4013.5834 20475.1747 14450.5184 236.2808 -203432.6972 2499.2807 0.0000 0.0000 52086.6298 -109671.2295 299.3426 -161757.8593 -109309.6684 298.7170 52.0701 83.6042 758851.2703 -18.5007 -18.4739 PRESSURE: 2019600 135.635 -76.3965 107.192 -76.396 -30.8589 -157.397 107.191 -157.397 -181.499 GPRESSURE: 2019600 187.404 -82.7894 58.7762 -92.499 -19.3015 -77.167 142.316 -128.107 -165.459 PRESSAVG: 2019600 5.68147 -27.3717 -4.23118 -27.3716 -16.5628 6.02081 -4.23119 6.02075 20.5843 GPRESSAVG: 2019600 5.99795 -29.3372 -3.93705 -27.75 -17.0641 7.48213 -5.69913 5.91835 20.7796 TIMING: 2019600 CPU: 6369.23, 0.00315708/step Wall: 6369.23, 0.00315708/step, 2.61371 hours remaining, 237.695312 MB of memory in use. ENERGY: 2019600 4062.3614 20331.4806 14531.2813 240.1059 -203368.1073 2538.7062 0.0000 0.0000 52096.2863 -109567.8858 299.3981 -161664.1720 -109213.0750 299.1221 -25.5742 0.8812 762035.4716 3.2343 3.2378 PRESSURE: 2019800 -157.529 -139.347 170.721 -139.346 26.2088 120.716 170.721 120.715 282.924 GPRESSURE: 2019800 -83.5221 -194.215 86.9588 -102.212 15.2901 31.7086 155.748 114.987 288.098 PRESSAVG: 2019800 47.4495 1.51935 -18.2969 1.51932 -16.7356 20.9641 -18.2969 20.964 -4.55675 GPRESSAVG: 2019800 47.6846 3.31131 -19.3466 1.53693 -17.7522 19.1103 -20.1762 21.6223 -4.38657 TIMING: 2019800 CPU: 6369.86, 0.00316685/step Wall: 6369.86, 0.00316685/step, 2.62162 hours remaining, 237.695312 MB of memory in use. ENERGY: 2019800 3991.7315 20562.4500 14508.1106 251.0052 -203683.2656 2671.5416 0.0000 0.0000 52159.2253 -109539.2015 299.7598 -161698.4268 -109189.0838 299.0529 50.5346 73.2886 761061.4939 8.7190 8.5153 PRESSURE: 2020000 86.4389 285.741 -152.963 285.741 -272.262 49.5528 -152.962 49.5529 -150.708 GPRESSURE: 2020000 133.034 370.541 -97.8845 327.302 -253.848 49.6894 -64.8201 105.574 -125.033 PRESSAVG: 2020000 15.8774 0.708351 -26.4175 0.70839 -23.581 39.7454 -26.4175 39.7453 3.58861 GPRESSAVG: 2020000 16.024 -1.5689 -26.5509 0.0167215 -22.975 41.4401 -23.2189 37.6848 2.99591 TIMING: 2020000 CPU: 6370.49, 0.00315952/step Wall: 6370.49, 0.00315952/step, 2.61538 hours remaining, 237.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2020000 3986.6174 20409.6088 14500.7921 249.7860 -203024.9636 2268.0278 0.0000 0.0000 51987.8925 -109622.2390 298.7751 -161610.1315 -109266.7578 299.2728 -112.1773 -81.9493 760802.7070 -1.3717 -1.3184 PRESSURE: 2020200 324.338 132.55 -66.4504 132.55 -132.47 -49.7151 -66.4505 -49.7148 347.198 GPRESSURE: 2020200 405.717 55.0153 -60.8498 100.318 -21.4241 -44.8322 -108.691 -53.4191 264.857 PRESSAVG: 2020200 46.5514 -18.0035 -47.5378 -18.0035 -50.4831 27.4108 -47.5377 27.4108 -4.81595 GPRESSAVG: 2020200 47.3587 -16.6902 -46.36 -14.8959 -51.5868 25.5267 -47.3748 28.9989 -4.04662 TIMING: 2020200 CPU: 6371.12, 0.003147/step Wall: 6371.12, 0.003147/step, 2.60484 hours remaining, 237.695312 MB of memory in use. ENERGY: 2020200 4018.1631 20479.7002 14394.3559 249.5795 -203447.3160 2659.3316 0.0000 0.0000 52053.3671 -109592.8185 299.1514 -161646.1856 -109234.0259 299.3760 179.6887 216.3832 758493.4309 -2.9159 -2.7582 LDB: ============= START OF LOAD BALANCING ============== 6383.52 LDB: ============== END OF LOAD BALANCING =============== 6383.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.52 LDB: ============= START OF LOAD BALANCING ============== 6383.83 LDB: Largest compute 7058 load 0.033586 is 17.1% of average load 0.196047 LDB: Average compute 0.004410 is 2.2% of average load 0.196047 LDB: TIME 6383.84 LOAD: AVG 0.196047 MAX 0.216809 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.406 MB LDB: TIME 6383.84 LOAD: AVG 0.196047 MAX 0.216809 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 6383.84 LOAD: AVG 0.196047 MAX 0.216809 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 6383.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.85 PRESSURE: 2020400 -75.2299 -91.2034 178.622 -91.2015 231.229 15.924 178.622 15.9245 85.3975 GPRESSURE: 2020400 49.9851 -69.9336 106.664 -91.3917 185.708 48.3377 177.685 -83.8393 95.7586 PRESSAVG: 2020400 102.948 3.30057 1.42396 3.30063 -40.4144 12.7451 1.42398 12.745 -10.4185 GPRESSAVG: 2020400 101.728 3.32195 0.821381 0.972118 -40.1038 11.6822 -1.79492 12.4274 -9.74234 TIMING: 2020400 CPU: 6371.76, 0.00321583/step Wall: 6371.76, 0.00321583/step, 2.66163 hours remaining, 238.714844 MB of memory in use. ENERGY: 2020400 3932.2795 20648.8382 14545.5242 267.6872 -203731.9585 2567.7680 0.0000 0.0000 52101.9607 -109667.9006 299.4307 -161769.8613 -109314.9364 300.1212 80.4654 110.4840 758183.0689 17.3718 17.2939 PRESSURE: 2020600 -314.408 239.265 -171.353 239.265 -66.0273 134.763 -171.353 134.763 -0.102105 GPRESSURE: 2020600 -322.975 260.662 -98.3694 126.128 -10.4143 98.2598 -203.091 132.939 41.5583 PRESSAVG: 2020600 26.5353 -43.6278 -4.98219 -43.6278 -52.5013 56.5008 -4.98221 56.5007 18.239 GPRESSAVG: 2020600 26.8638 -42.2803 -5.53335 -43.6583 -51.8672 57.1078 -2.92423 58.517 17.148 TIMING: 2020600 CPU: 6372.39, 0.00314537/step Wall: 6372.39, 0.00314537/step, 2.60315 hours remaining, 238.781250 MB of memory in use. ENERGY: 2020600 3964.8609 20550.2273 14459.9375 259.6806 -203114.8830 2239.3185 0.0000 0.0000 51935.2663 -109705.5918 298.4727 -161640.8581 -109344.6782 299.3743 -126.8459 -97.2771 759727.7865 -2.5757 -2.6184 PRESSURE: 2020800 -208.336 -180.38 -50.4591 -180.38 -206.311 20.3042 -50.4589 20.3043 -192.211 GPRESSURE: 2020800 -177.52 -165.915 -6.2401 -160.06 -206.047 22.15 -94.3483 74.9846 -157.772 PRESSAVG: 2020800 -32.327 -17.253 11.4424 -17.253 30.4271 23.9502 11.4424 23.9502 0.686463 GPRESSAVG: 2020800 -32.4669 -17.3362 12.6941 -16.5224 29.0935 26.5617 12.0283 20.4445 2.05084 TIMING: 2020800 CPU: 6373.02, 0.00315462/step Wall: 6373.02, 0.00315462/step, 2.61062 hours remaining, 238.781250 MB of memory in use. ENERGY: 2020800 3961.1839 20533.4128 14484.8465 254.0879 -203424.0398 2402.9985 0.0000 0.0000 52055.4470 -109732.0633 299.1634 -161787.5103 -109370.2599 299.0244 -202.2858 -180.4464 759315.0645 -0.4045 -0.4409 PRESSURE: 2021000 -33.5263 92.3466 191.334 92.3464 -56.5189 -117.62 191.335 -117.619 -61.6362 GPRESSURE: 2021000 -177.382 176.855 150.489 138.71 103.85 -216.161 172.889 -11.9408 -2.20536 PRESSAVG: 2021000 -44.7005 4.57224 -25.7575 4.57222 -21.3822 10.6362 -25.7575 10.6363 -4.17662 GPRESSAVG: 2021000 -45.2887 1.895 -28.6963 4.41534 -19.5433 8.13561 -26.9803 10.6483 -5.43463 TIMING: 2021000 CPU: 6373.65, 0.003152/step Wall: 6373.65, 0.003152/step, 2.60828 hours remaining, 238.781250 MB of memory in use. ENERGY: 2021000 3979.1943 20506.6673 14442.3271 252.0321 -203219.8583 2336.1335 0.0000 0.0000 52114.1876 -109589.3165 299.5010 -161703.5040 -109225.3873 298.6558 -50.5605 -25.2459 759910.0622 -23.4198 -23.4222 PRESSURE: 2021200 189.396 -66.9147 303.975 -66.9135 66.8184 -62.4507 303.974 -62.4515 -32.1993 GPRESSURE: 2021200 187.681 -70.49 232.024 -104.598 90.0119 -68.7803 203.913 -47.3906 21.1895 PRESSAVG: 2021200 -42.6228 -16.0581 -32.9383 -16.058 54.8343 0.50205 -32.9383 0.502092 29.2038 GPRESSAVG: 2021200 -42.7363 -13.9585 -30.6095 -16.2913 53.7808 2.4005 -34.7022 1.28258 29.8611 TIMING: 2021200 CPU: 6374.29, 0.00316518/step Wall: 6374.29, 0.00316518/step, 2.61901 hours remaining, 238.781250 MB of memory in use. ENERGY: 2021200 3952.1714 20548.1927 14445.9491 258.4205 -203204.7387 2304.3717 0.0000 0.0000 52155.2856 -109540.3476 299.7371 -161695.6332 -109167.7142 299.2773 74.6719 99.6275 760009.1537 13.8051 13.6352 PRESSURE: 2021400 -62.4776 28.494 -75.142 28.4942 138.345 -76.5594 -75.1422 -76.5597 89.7264 GPRESSURE: 2021400 -46.5502 108.961 -59.3604 -13.9783 155.938 -100.124 17.181 -162.076 150.649 PRESSAVG: 2021400 -33.3863 -15.7366 -27.6414 -15.7366 -14.0268 -33.3014 -27.6414 -33.3014 -35.8857 GPRESSAVG: 2021400 -31.5539 -14.7757 -27.5788 -16.4434 -14.7732 -35.3029 -25.5972 -32.8603 -35.9806 TIMING: 2021400 CPU: 6374.92, 0.00315233/step Wall: 6374.92, 0.00315233/step, 2.6082 hours remaining, 238.781250 MB of memory in use. ENERGY: 2021400 3970.7534 20444.5963 14463.5852 237.9608 -203101.2776 2450.0006 0.0000 0.0000 52193.0639 -109341.3175 299.9543 -161534.3814 -108974.3300 299.6613 55.1980 86.6792 761265.7255 -27.7662 -27.4359 PRESSURE: 2021600 30.6472 14.563 3.06613 14.5634 -154.572 102.88 3.06635 102.879 -105.776 GPRESSURE: 2021600 30.0663 -11.9988 -5.53886 33.2485 -59.6226 68.2268 89.8079 212.682 -101.863 PRESSAVG: 2021600 -3.98249 -16.9205 26.967 -16.9205 -14.0046 -34.3638 26.967 -34.3638 6.75175 GPRESSAVG: 2021600 -4.35858 -16.3454 25.8747 -16.1848 -13.1425 -36.0033 26.9459 -33.3427 6.22632 TIMING: 2021600 CPU: 6375.55, 0.00316483/step Wall: 6375.55, 0.00316483/step, 2.61837 hours remaining, 238.781250 MB of memory in use. ENERGY: 2021600 4004.9289 20496.8940 14487.0666 244.2431 -203190.9825 2342.8184 0.0000 0.0000 52080.3399 -109534.6916 299.3064 -161615.0315 -109178.6552 299.6339 -76.5667 -43.8065 761633.9457 -3.7451 -3.7583 PRESSURE: 2021800 -309.453 82.1783 -64.9473 82.1787 -146.62 -49.2133 -64.9471 -49.214 -121.56 GPRESSURE: 2021800 -157.941 -48.0415 -61.0921 56.6007 -191.402 -32.0592 -13.0044 -73.1075 -144.39 PRESSAVG: 2021800 -10.209 25.1002 4.3791 25.1002 -20.9355 2.26146 4.37907 2.2614 -10.165 GPRESSAVG: 2021800 -11.0721 22.722 4.45016 24.863 -20.3147 2.4237 3.95712 1.74591 -10.6631 TIMING: 2021800 CPU: 6376.18, 0.00316229/step Wall: 6376.18, 0.00316229/step, 2.61609 hours remaining, 238.781250 MB of memory in use. ENERGY: 2021800 3951.1573 20315.5919 14489.7394 234.2658 -203258.4680 2384.4179 0.0000 0.0000 52174.8123 -109708.4834 299.8494 -161883.2958 -109342.0384 299.0137 -192.5441 -164.5778 761521.1881 -13.7698 -14.0166 PRESSURE: 2022000 85.7629 -43.2397 93.5934 -43.2397 -7.76498 175.666 93.5936 175.665 -411.271 GPRESSURE: 2022000 82.74 -61.4449 107.115 -28.1258 -11.4296 154.743 2.82518 67.3749 -307.434 PRESSAVG: 2022000 40.6122 -4.22925 -19.053 -4.22928 -18.4627 -11.4926 -19.053 -11.4925 -14.983 GPRESSAVG: 2022000 39.4262 -2.86735 -19.0588 -4.90004 -20.3222 -10.6476 -17.8302 -10.7286 -12.1901 TIMING: 2022000 CPU: 6376.81, 0.00315205/step Wall: 6376.81, 0.00315205/step, 2.60744 hours remaining, 238.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2022000 3946.5178 20551.8426 14523.2543 246.0728 -203405.2982 2508.8184 0.0000 0.0000 52017.7305 -109611.0618 298.9466 -161628.7923 -109251.9192 298.7289 -111.0910 -78.7080 761516.0188 2.3888 2.3046 PRESSURE: 2022200 10.1814 -116.369 -53.8891 -116.368 -87.0834 -49.6284 -53.8888 -49.6285 104.633 GPRESSURE: 2022200 42.7645 12.0829 -98.6759 -224.496 -75.7054 81.4667 -59.9021 -291.367 155.449 PRESSAVG: 2022200 31.1938 -6.58185 -6.63045 -6.58193 -10.8881 26.6412 -6.63045 26.6412 9.37629 GPRESSAVG: 2022200 32.2093 -5.21828 -6.66088 -6.96401 -11.0553 27.5636 -8.09779 24.3328 8.16258 TIMING: 2022200 CPU: 6377.44, 0.00315172/step Wall: 6377.44, 0.00315172/step, 2.60699 hours remaining, 238.781250 MB of memory in use. ENERGY: 2022200 4016.3619 20377.5673 14497.8193 237.8401 -203340.8253 2527.9666 0.0000 0.0000 51942.1464 -109741.1236 298.5122 -161683.2701 -109378.4159 299.0323 9.2437 40.8362 761293.1754 9.8940 9.7722 PRESSURE: 2022400 36.7118 -355.199 18.7055 -355.199 103.078 202.732 18.7053 202.731 -87.4149 GPRESSURE: 2022400 16.898 -303.763 50.166 -353.629 164.633 139.714 90.1845 194.166 -50.0304 PRESSAVG: 2022400 56.711 -46.0825 -25.1944 -46.0826 -59.3097 -19.2602 -25.1944 -19.2603 1.81803 GPRESSAVG: 2022400 56.8061 -48.009 -25.9622 -45.3004 -59.225 -19.468 -25.1919 -17.926 1.85417 TIMING: 2022400 CPU: 6378.08, 0.00317311/step Wall: 6378.08, 0.00317311/step, 2.62451 hours remaining, 238.781250 MB of memory in use. ENERGY: 2022400 4020.7273 20508.5476 14479.6321 248.6754 -203548.5128 2764.0430 0.0000 0.0000 51975.9149 -109550.9724 298.7063 -161526.8873 -109198.2856 298.7267 17.4584 43.8335 761004.8246 -0.2602 -0.1883 PRESSURE: 2022600 148.256 26.6874 -151.042 26.6867 61.8251 112.428 -151.042 112.428 305.179 GPRESSURE: 2022600 237.491 -24.7258 -169.903 -90.42 39.7207 105.378 -209.024 145.259 316.99 PRESSAVG: 2022600 41.029 -28.203 -35.8548 -28.203 -37.5892 -44.5227 -35.8549 -44.5227 -3.06375 GPRESSAVG: 2022600 40.9995 -28.4571 -35.1866 -28.5876 -37.8888 -44.8316 -35.1678 -42.9593 -2.51585 TIMING: 2022600 CPU: 6378.71, 0.00315961/step Wall: 6378.71, 0.00315961/step, 2.61317 hours remaining, 238.781250 MB of memory in use. ENERGY: 2022600 3942.2318 20501.8329 14488.1765 259.3889 -203143.8934 2302.9808 0.0000 0.0000 52045.4489 -109603.8335 299.1059 -161649.2824 -109229.8749 299.1602 171.7533 198.0673 758748.9788 0.1254 0.1983 PRESSURE: 2022800 -210.009 219.521 92.9242 219.521 -184.903 72.4244 92.9248 72.4249 -139.213 GPRESSURE: 2022800 -104.941 177.457 58.9545 148.312 -188.327 110.156 81.589 31.9966 -174.841 PRESSAVG: 2022800 -4.71058 56.837 -17.3581 56.8371 16.7262 -4.23701 -17.3581 -4.23697 -12.0337 GPRESSAVG: 2022800 -5.31336 56.5048 -17.1638 56.5442 18.621 -2.96531 -18.0652 -5.86402 -13.2743 TIMING: 2022800 CPU: 6379.34, 0.00314442/step Wall: 6379.34, 0.00314442/step, 2.60044 hours remaining, 238.781250 MB of memory in use. ENERGY: 2022800 3992.4604 20611.7703 14539.5420 230.2463 -202995.7174 2285.6963 0.0000 0.0000 51783.3462 -109552.6560 297.5996 -161336.0022 -109190.8287 298.7765 -178.0416 -156.0364 760646.9797 -0.0060 0.0111 PRESSURE: 2023000 216.041 168.161 -56.7471 168.162 -113.646 -55.4613 -56.7466 -55.4626 162.507 GPRESSURE: 2023000 183.313 345.982 59.9201 269.899 1.55162 -124.351 -117.856 -23.3893 174.986 PRESSAVG: 2023000 70.3959 13.0251 -3.84761 13.0251 -62.7197 11.8267 -3.84753 11.8268 -2.87947 GPRESSAVG: 2023000 69.4155 14.6317 -4.64258 13.4001 -63.1086 11.4693 -2.69673 11.6865 -2.21136 TIMING: 2023000 CPU: 6379.97, 0.00313418/step Wall: 6379.97, 0.00313418/step, 2.59179 hours remaining, 238.781250 MB of memory in use. ENERGY: 2023000 4017.8032 20640.5390 14460.6294 236.0437 -203855.2032 2814.5077 0.0000 0.0000 51931.2506 -109754.4295 298.4496 -161685.6801 -109390.6304 299.3065 88.3006 119.9501 757639.6644 1.5989 1.3652 PRESSURE: 2023200 162.14 -83.2363 145.002 -83.2364 -3.36944 -178.153 145.002 -178.153 64.454 GPRESSURE: 2023200 205.666 -36.9349 181.961 -3.4254 104.912 -175.231 -1.65924 -234.56 -0.665755 PRESSAVG: 2023200 80.4484 -18.5305 -12.6581 -18.5306 -48.7521 42.5666 -12.6581 42.5666 5.96644 GPRESSAVG: 2023200 82.0666 -21.5901 -12.4993 -15.3438 -50.3542 42.2095 -14.6092 42.691 6.10091 TIMING: 2023200 CPU: 6380.6, 0.00315264/step Wall: 6380.6, 0.00315264/step, 2.60688 hours remaining, 238.781250 MB of memory in use. ENERGY: 2023200 4027.0090 20459.4184 14425.6709 261.8772 -203534.5651 2460.9532 0.0000 0.0000 52065.0986 -109834.5377 299.2188 -161899.6363 -109474.6360 298.8572 74.4082 103.3044 757602.4805 12.5543 12.6044 PRESSURE: 2023400 312.078 3.88411 44.6408 3.88421 143.845 217.123 44.6419 217.122 -302.852 GPRESSURE: 2023400 275.591 -51.7885 14.9626 -52.3393 162.336 263.575 104.814 185.763 -214.413 PRESSAVG: 2023400 25.1411 22.7421 10.4814 22.7421 -47.5441 -1.61819 10.4814 -1.61822 6.7822 GPRESSAVG: 2023400 24.8015 21.2223 9.98742 23.0292 -46.2506 -0.564783 11.8471 -0.587812 6.29069 TIMING: 2023400 CPU: 6381.23, 0.00314589/step Wall: 6381.23, 0.00314589/step, 2.60113 hours remaining, 238.781250 MB of memory in use. ENERGY: 2023400 3975.5769 20487.6283 14486.4620 243.5634 -203669.7045 2681.8688 0.0000 0.0000 52041.7856 -109752.8194 299.0849 -161794.6050 -109380.7612 298.3200 51.0239 74.5046 758661.8945 -5.2069 -5.0528 PRESSURE: 2023600 -58.2482 -12.2607 267.581 -12.2614 -435.19 50.6181 267.58 50.619 -90.1342 GPRESSURE: 2023600 80.9584 52.2112 245.668 -102.72 -466.666 96.5072 199.31 0.696602 -113.356 PRESSAVG: 2023600 75.4295 39.4564 38.2619 39.4564 -60.8602 -15.7662 38.2619 -15.7661 -23.621 GPRESSAVG: 2023600 75.7845 42.8448 38.6617 36.867 -60.9888 -15.609 36.706 -16.3886 -23.9038 TIMING: 2023600 CPU: 6381.85, 0.00314799/step Wall: 6381.85, 0.00314799/step, 2.60269 hours remaining, 238.781250 MB of memory in use. ENERGY: 2023600 4069.3528 20714.4068 14533.8864 233.2965 -203210.5684 2274.3348 0.0000 0.0000 51750.8316 -109634.4596 297.4127 -161385.2911 -109284.1531 299.0998 -194.5242 -166.3544 760610.2765 -3.0172 -3.0360 PRESSURE: 2023800 174.546 -131.687 239.822 -131.686 -595.662 -119.522 239.823 -119.522 -236.221 GPRESSURE: 2023800 144.959 -49.9247 275.793 10.1262 -483.93 -58.012 210.486 -188.441 -223.66 PRESSAVG: 2023800 30.6041 5.66273 97.1576 5.66271 -71.4905 -25.6451 97.1576 -25.6451 -19.0007 GPRESSAVG: 2023800 30.1996 4.09482 98.7401 7.16341 -70.4837 -25.3246 96.027 -27.6755 -19.1059 TIMING: 2023800 CPU: 6382.49, 0.00316437/step Wall: 6382.49, 0.00316437/step, 2.61606 hours remaining, 238.781250 MB of memory in use. ENERGY: 2023800 4006.2988 20492.1964 14474.0459 236.2477 -203872.3554 2667.1315 0.0000 0.0000 52184.4169 -109812.0183 299.9046 -161996.4351 -109448.4244 299.0585 -219.1125 -187.5439 759218.2501 -19.9624 -19.7967 PRESSURE: 2024000 239.364 -155.774 9.09501 -155.774 -269.333 -255.593 9.09491 -255.593 32.731 GPRESSURE: 2024000 192.449 -193.381 99.9967 -142.976 -144.759 -306.935 -93.2928 -142.263 31.6689 PRESSAVG: 2024000 20.7925 28.4816 109.232 28.4816 -34.1165 -39.3657 109.232 -39.3658 10.8953 GPRESSAVG: 2024000 21.075 28.0834 108.91 27.6793 -34.0431 -42.1171 108.71 -38.4708 10.515 TIMING: 2024000 CPU: 6383.12, 0.00317435/step Wall: 6383.12, 0.00317435/step, 2.62413 hours remaining, 238.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2024000 3983.5317 20515.6387 14475.9697 234.4816 -203317.7453 2306.6391 0.0000 0.0000 51797.0535 -110004.4309 297.6784 -161801.4844 -109634.3601 298.8579 0.9207 26.4532 758921.1554 -0.8096 -0.8177 PRESSURE: 2024200 169.07 32.1569 59.4518 32.157 120.804 262.699 59.452 262.699 410.736 GPRESSURE: 2024200 170.376 35.113 51.0739 -66.8306 183.413 308.478 51.2876 350.226 436.938 PRESSAVG: 2024200 24.9269 -54.5669 18.2478 -54.5668 -13.8379 27.7191 18.2478 27.7192 11.4955 GPRESSAVG: 2024200 25.9359 -53.2415 19.7955 -55.1711 -13.7518 29.2845 18.5598 29.978 10.3875 TIMING: 2024200 CPU: 6383.76, 0.00318051/step Wall: 6383.76, 0.00318051/step, 2.62905 hours remaining, 238.781250 MB of memory in use. ENERGY: 2024200 3898.5865 20442.9480 14495.2280 248.4587 -203985.0184 2812.1890 0.0000 0.0000 52184.7531 -109902.8551 299.9065 -162087.6082 -109524.1155 298.4074 233.5369 263.5757 758842.3961 7.5282 7.5239 LDB: ============= START OF LOAD BALANCING ============== 6396.16 LDB: ============== END OF LOAD BALANCING =============== 6396.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6396.16 LDB: ============= START OF LOAD BALANCING ============== 6396.49 LDB: Largest compute 7058 load 0.034140 is 17.4% of average load 0.196014 LDB: Average compute 0.004430 is 2.3% of average load 0.196014 LDB: TIME 6396.49 LOAD: AVG 0.196014 MAX 0.213841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.434 MB LDB: TIME 6396.49 LOAD: AVG 0.196014 MAX 0.213841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.434 MB LDB: TIME 6396.49 LOAD: AVG 0.196014 MAX 0.213841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.434 MB LDB: ============== END OF LOAD BALANCING =============== 6396.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6396.5 PRESSURE: 2024400 -21.3966 -90.5574 149.143 -90.5575 235.639 -54.428 149.143 -54.4274 418.153 GPRESSURE: 2024400 13.899 -8.98792 186.048 -76.4002 240.339 -57.2541 168.096 -191.47 463.634 PRESSAVG: 2024400 16.9469 -28.312 38.6438 -28.3121 -36.2531 -8.2732 38.6438 -8.27325 -10.2078 GPRESSAVG: 2024400 15.2014 -29.337 35.3503 -25.9883 -36.2669 -8.15089 39.7291 -10.5753 -8.24516 TIMING: 2024400 CPU: 6384.41, 0.0032782/step Wall: 6384.41, 0.0032782/step, 2.70961 hours remaining, 237.945312 MB of memory in use. ENERGY: 2024400 4027.3845 20495.5075 14434.7021 251.5694 -204077.9001 2747.4892 0.0000 0.0000 52234.1690 -109887.0785 300.1905 -162121.2474 -109521.5751 299.2111 210.7984 239.2909 759060.4874 -9.8380 -9.7702 PRESSURE: 2024600 114.004 -49.4427 90.5063 -49.4427 -257.295 31.5816 90.5058 31.5798 -359.216 GPRESSURE: 2024600 91.3524 -38.8867 107.666 -191.636 -171.864 94.7131 7.86491 8.3634 -340.75 PRESSAVG: 2024600 -34.2622 -8.12677 44.9496 -8.12672 -16.7937 -53.3042 44.9496 -53.3042 31.6644 GPRESSAVG: 2024600 -34.1523 -5.87568 47.2403 -11.9704 -16.4666 -54.3475 44.6834 -54.0685 31.0948 TIMING: 2024600 CPU: 6385.05, 0.00320339/step Wall: 6385.05, 0.00320339/step, 2.6476 hours remaining, 238.148438 MB of memory in use. ENERGY: 2024600 4028.6425 20534.8595 14522.3170 232.0294 -203675.4432 2472.4792 0.0000 0.0000 52075.2738 -109809.8419 299.2773 -161885.1157 -109449.3784 298.9864 -167.5024 -140.4207 758640.3143 -6.4638 -6.5080 PRESSURE: 2024800 -273.29 143.641 -71.2984 143.64 83.5547 153.548 -71.2985 153.548 -80.0006 GPRESSURE: 2024800 -267.252 35.8855 -79.7442 50.6936 119.295 31.3447 -142.261 179.878 -37.9826 PRESSAVG: 2024800 23.7303 9.26519 -4.81833 9.26516 5.11741 -55.6211 -4.81831 -55.6211 2.62522 GPRESSAVG: 2024800 23.6636 5.18575 -6.16257 10.3694 4.142 -55.5422 -2.18291 -56.5326 3.77208 TIMING: 2024800 CPU: 6385.69, 0.00317069/step Wall: 6385.69, 0.00317069/step, 2.6204 hours remaining, 238.148438 MB of memory in use. ENERGY: 2024800 3892.1683 20479.0224 14522.8290 252.8766 -203148.8883 2388.2548 0.0000 0.0000 52101.5583 -109512.1790 299.4284 -161613.7373 -109155.8342 299.5159 -89.9120 -61.9799 760586.3934 10.4910 10.5259 PRESSURE: 2025000 -74.5109 85.3147 103.262 85.315 6.69394 204.492 103.261 204.491 190.674 GPRESSURE: 2025000 -2.20883 64.2455 105.716 105.992 -48.5593 185.149 187.016 265.098 259.169 PRESSAVG: 2025000 -0.780417 -19.7907 8.83535 -19.7907 29.3689 -54.9517 8.83529 -54.9516 -0.62608 GPRESSAVG: 2025000 0.934377 -17.6095 9.31566 -20.3331 29.2197 -53.9736 8.6039 -52.1941 -1.78433 TIMING: 2025000 CPU: 6386.33, 0.0031855/step Wall: 6386.33, 0.0031855/step, 2.63246 hours remaining, 238.148438 MB of memory in use. ENERGY: 2025000 3963.3371 20436.0339 14482.1604 253.2102 -203365.2303 2567.3596 0.0000 0.0000 51871.9784 -109791.1507 298.1090 -161663.1291 -109417.7668 299.0385 40.9525 69.4670 760615.4434 9.3208 9.4566 PRESSURE: 2025200 -218.568 -297.743 -105.232 -297.742 121.721 -352.308 -105.232 -352.308 159 GPRESSURE: 2025200 -106.962 -284.414 -157.866 -219.714 113.5 -352.228 -199.988 -372.912 131.653 PRESSAVG: 2025200 -6.36794 -1.91134 84.6433 -1.91132 4.64981 -29.4942 84.6434 -29.4942 -5.89585 GPRESSAVG: 2025200 -6.66867 -4.01717 82.2552 -0.460988 4.42203 -30.0528 85.3431 -29.475 -4.98822 TIMING: 2025200 CPU: 6386.97, 0.00319672/step Wall: 6386.97, 0.00319671/step, 2.64155 hours remaining, 238.148438 MB of memory in use. ENERGY: 2025200 3942.3233 20693.1423 14497.7458 269.9402 -203537.1693 2498.8861 0.0000 0.0000 51819.8534 -109815.2784 297.8094 -161635.1318 -109464.2353 298.3104 20.7174 46.0639 759686.6142 -2.5380 -2.4116 PRESSURE: 2025400 -171.477 -43.337 167.802 -43.3365 -50.7699 144.091 167.802 144.092 225.498 GPRESSURE: 2025400 -30.282 8.75724 166.417 -83.157 -74.6186 194.097 192.8 200.72 203.166 PRESSAVG: 2025400 16.5493 11.5228 19.8923 11.5229 -7.72154 19.3328 19.8924 19.3329 -17.2275 GPRESSAVG: 2025400 16.0304 14.1885 23.807 11.8585 -6.44906 19.2464 18.3062 18.7913 -17.701 TIMING: 2025400 CPU: 6387.61, 0.00320549/step Wall: 6387.61, 0.00320549/step, 2.64863 hours remaining, 238.148438 MB of memory in use. ENERGY: 2025400 4022.5877 20556.3052 14484.2285 230.0320 -203889.2087 2685.3422 0.0000 0.0000 52014.1822 -109896.5308 298.9262 -161910.7130 -109532.4191 298.5922 1.0837 32.7552 760455.9701 -2.7999 -2.7065 PRESSURE: 2025600 43.1152 128.153 137.13 128.153 -120.644 152.752 137.13 152.751 203.743 GPRESSURE: 2025600 52.5978 67.739 150.593 145.863 -74.682 107.777 102.243 183.183 223.174 PRESSAVG: 2025600 47.724 2.97111 -48.6094 2.97115 -18.3805 -1.51229 -48.6095 -1.51238 7.19074 GPRESSAVG: 2025600 48.3477 3.16422 -50.2154 1.3776 -18.9574 -1.72504 -46.206 -0.894055 7.52234 TIMING: 2025600 CPU: 6388.24, 0.00316888/step Wall: 6388.24, 0.00316888/step, 2.6182 hours remaining, 238.148438 MB of memory in use. ENERGY: 2025600 3920.2921 20438.9906 14470.3894 241.3749 -203647.8810 2595.5420 0.0000 0.0000 51930.7238 -110050.5680 298.4466 -161981.2918 -109690.2475 298.1715 42.0714 67.0301 760568.2954 12.1781 12.3042 PRESSURE: 2025800 -103.211 -328.155 24.4936 -328.154 108.641 -3.82561 24.4928 -3.82627 288.293 GPRESSURE: 2025800 -96.0796 -306.335 -78.0151 -175.521 124.491 7.49765 -54.4963 33.6386 352.224 PRESSAVG: 2025800 9.31014 -30.5861 -57.1635 -30.5861 27.7065 22.9064 -57.1636 22.9065 32.0193 GPRESSAVG: 2025800 8.50634 -29.8937 -57.7718 -30.8428 28.8347 22.5586 -56.4811 22.374 31.4417 TIMING: 2025800 CPU: 6388.87, 0.00316896/step Wall: 6388.87, 0.00316896/step, 2.61809 hours remaining, 238.148438 MB of memory in use. ENERGY: 2025800 3895.9689 20482.6569 14451.1685 240.7978 -203356.7363 2559.8334 0.0000 0.0000 51768.9201 -109957.3908 297.5167 -161726.3109 -109610.5366 298.5658 97.9076 126.8784 760769.4363 23.0120 22.9276 PRESSURE: 2026000 51.5912 79.72 208.558 79.7195 393.818 143.25 208.558 143.251 111.754 GPRESSURE: 2026000 88.6642 82.8415 194.273 29.5072 408.327 252.308 97.9097 152.801 139.608 PRESSAVG: 2026000 -21.1084 -43.3027 7.48944 -43.3026 24.308 3.52034 7.48944 3.52042 4.77569 GPRESSAVG: 2026000 -20.886 -43.2115 7.74405 -42.438 24.8935 5.71273 6.48851 1.28807 3.66015 TIMING: 2026000 CPU: 6389.5, 0.00313269/step Wall: 6389.5, 0.0031327/step, 2.58795 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2026000 4003.2716 20427.6330 14468.6051 231.3309 -203691.4186 2785.8389 0.0000 0.0000 51964.6608 -109810.0783 298.6416 -161774.7391 -109436.8947 299.1264 185.7212 212.1997 759914.7369 2.6584 2.5559 PRESSURE: 2026200 -398.224 -187.83 -176.064 -187.829 41.005 -7.91244 -176.063 -7.91158 156.713 GPRESSURE: 2026200 -313.968 -237.296 -91.8036 -60.1842 -16.4495 -92.818 -160.885 -14.9113 225.326 PRESSAVG: 2026200 11.776 -60.578 14.633 -60.5781 -34.0141 -21.7168 14.6329 -21.7169 -27.0654 GPRESSAVG: 2026200 12.5683 -61.3549 13.3209 -59.7736 -35.9313 -24.2924 12.995 -19.288 -26.0072 TIMING: 2026200 CPU: 6390.13, 0.00313165/step Wall: 6390.13, 0.00313165/step, 2.58692 hours remaining, 238.148438 MB of memory in use. ENERGY: 2026200 3969.9230 20428.0422 14518.5637 253.8647 -203290.2686 2260.3576 0.0000 0.0000 51982.0269 -109877.4904 298.7414 -161859.5173 -109514.8638 299.0603 -66.8356 -35.0304 760602.3689 -16.4345 -16.4567 PRESSURE: 2026400 -123.907 -12.0675 -118.221 -12.068 249.305 58.298 -118.221 58.2983 -16.2579 GPRESSURE: 2026400 -98.3415 44.4999 -62.1891 -95.7291 260.491 86.3364 -216.983 91.4894 18.6985 PRESSAVG: 2026400 20.9306 -44.317 39.8584 -44.317 21.7082 13.9163 39.8583 13.9163 13.3006 GPRESSAVG: 2026400 20.7314 -44.8564 40.1125 -43.1577 22.1543 16.4298 40.5718 11.7756 12.6893 TIMING: 2026400 CPU: 6390.75, 0.00313374/step Wall: 6390.75, 0.00313374/step, 2.58847 hours remaining, 238.148438 MB of memory in use. ENERGY: 2026400 4033.5333 20490.5717 14497.1622 251.0958 -203876.3673 2459.4727 0.0000 0.0000 52227.0770 -109917.4547 300.1497 -162144.5317 -109551.2933 299.0213 36.3800 60.2828 759177.4431 18.6465 18.5250 PRESSURE: 2026600 -59.9958 74.5029 -56.8434 74.5021 -264.315 -37.9003 -56.8437 -37.9 -82.7632 GPRESSURE: 2026600 -74.1915 79.1454 12.1802 -83.5542 -141.508 -107.861 25.553 -73.0394 -99.9844 PRESSAVG: 2026600 0.477881 16.3869 -24.5588 16.3869 28.97 -37.6168 -24.5588 -37.6168 13.117 GPRESSAVG: 2026600 -0.297114 17.5726 -24.2802 12.8458 29.1539 -39.5998 -23.8722 -37.2971 13.8253 TIMING: 2026600 CPU: 6391.38, 0.0031433/step Wall: 6391.38, 0.0031433/step, 2.59619 hours remaining, 238.148438 MB of memory in use. ENERGY: 2026600 3965.6761 20465.1701 14426.7652 242.4921 -203441.8148 2258.1984 0.0000 0.0000 52030.0490 -110053.4639 299.0174 -162083.5129 -109685.1668 299.2096 -135.6912 -105.2280 759809.9599 14.1883 14.2274 PRESSURE: 2026800 144.936 -63.4716 32.7637 -63.4715 -89.6287 26.8563 32.7641 26.8561 141.144 GPRESSURE: 2026800 156.603 -88.8238 149.423 37.6347 5.77444 77.2491 -77.5185 -62.2701 135.498 PRESSAVG: 2026800 4.93122 -4.1417 21.2167 -4.14168 -3.91876 21.5561 21.2167 21.556 5.90951 GPRESSAVG: 2026800 6.39571 -4.28205 21.1353 -1.4928 -4.927 21.3831 22.7589 24.3179 5.74088 TIMING: 2026800 CPU: 6392.01, 0.00314135/step Wall: 6392.01, 0.00314135/step, 2.5944 hours remaining, 238.148438 MB of memory in use. ENERGY: 2026800 3909.5970 20391.1808 14422.8759 254.7492 -203515.7993 2473.0594 0.0000 0.0000 52064.7833 -109999.5538 299.2170 -162064.3371 -109631.5288 298.9410 65.4837 99.2917 760558.6589 2.3073 2.4032 PRESSURE: 2027000 -197.362 -298.235 168.554 -298.234 293.75 6.36762 168.554 6.36794 378.416 GPRESSURE: 2027000 -110.843 -245.491 153.386 -329.158 276.445 51.8574 192.789 15.1132 390.952 PRESSAVG: 2027000 40.9785 -54.0719 12.9573 -54.0719 -29.31 -11.4179 12.9572 -11.4179 9.11773 GPRESSAVG: 2027000 40.5237 -53.007 10.7194 -53.672 -28.0821 -10.4302 11.7884 -11.429 8.70159 TIMING: 2027000 CPU: 6392.64, 0.00315607/step Wall: 6392.64, 0.00315607/step, 2.60638 hours remaining, 238.148438 MB of memory in use. ENERGY: 2027000 4000.3793 20485.9121 14548.2081 235.5737 -203851.5439 2550.6212 0.0000 0.0000 51946.7651 -110084.0844 298.5388 -162030.8495 -109724.3478 298.5370 158.2682 185.5184 758874.7440 6.9287 7.0477 PRESSURE: 2027200 -57.6735 -46.4805 -15.0568 -46.4804 -137.911 158.872 -15.0566 158.872 40.9558 GPRESSURE: 2027200 -17.2752 -19.3327 -22.8058 -17.0594 -74.4485 180.586 -79.7925 164.458 17.9918 PRESSAVG: 2027200 -24.6745 -57.2224 -31.3112 -57.2224 11.7811 59.3168 -31.3112 59.3168 13.8941 GPRESSAVG: 2027200 -25.6608 -57.0575 -28.8709 -59.8351 12.8085 60.7966 -33.2866 59.1674 13.8108 TIMING: 2027200 CPU: 6393.27, 0.00315272/step Wall: 6393.27, 0.00315272/step, 2.60345 hours remaining, 238.148438 MB of memory in use. ENERGY: 2027200 4032.1678 20563.1973 14470.4490 256.8013 -203549.6473 2406.8239 0.0000 0.0000 52108.4844 -109711.7237 299.4682 -161820.2081 -109357.6589 299.2400 -51.5428 -24.5773 760027.8142 0.3336 0.3195 PRESSURE: 2027400 -74.3052 -87.4885 -333.139 -87.4876 113.209 83.1846 -333.14 83.184 -12.8161 GPRESSURE: 2027400 -19.0667 -35.2476 -260.003 -63.604 145.243 12.3831 -151.077 130.315 -6.79143 PRESSAVG: 2027400 -2.60452 -31.6944 -22.5182 -31.6944 7.38208 22.1524 -22.5182 22.1523 -1.5555 GPRESSAVG: 2027400 -1.97728 -33.6476 -22.2495 -28.688 6.3013 22.3392 -22.7059 21.627 -1.05081 TIMING: 2027400 CPU: 6393.91, 0.00316999/step Wall: 6393.91, 0.00316999/step, 2.61753 hours remaining, 238.148438 MB of memory in use. ENERGY: 2027400 3994.3707 20505.3545 14468.3601 246.7577 -203368.9691 2538.0713 0.0000 0.0000 52069.7275 -109546.3272 299.2454 -161616.0547 -109194.3669 299.0694 8.6960 39.7949 758551.5581 1.0740 1.0911 PRESSURE: 2027600 103.821 -13.4407 89.7063 -13.4395 125.426 202.848 89.706 202.848 -63.7657 GPRESSURE: 2027600 134.137 72.1107 79.0128 -138.404 212.141 163.031 85.2726 131.329 -118.53 PRESSAVG: 2027600 -19.4971 27.2916 9.58789 27.2916 -5.80626 3.82857 9.5879 3.82857 28.2572 GPRESSAVG: 2027600 -20.0223 27.567 9.33095 25.8149 -5.30463 4.1416 12.0417 1.94808 28.2972 TIMING: 2027600 CPU: 6394.54, 0.00316122/step Wall: 6394.54, 0.00316122/step, 2.61011 hours remaining, 238.148438 MB of memory in use. ENERGY: 2027600 3958.5414 20601.1493 14462.5953 238.7626 -203378.7135 2586.0898 0.0000 0.0000 51943.6254 -109587.9497 298.5207 -161531.5751 -109227.1532 299.1658 55.1604 75.9160 760463.3868 0.9846 0.9901 PRESSURE: 2027800 -137.221 119.566 91.6729 119.566 297.448 -115.273 91.673 -115.274 150.194 GPRESSURE: 2027800 -45.7028 217.519 34.6434 111.521 261.603 -78.5826 43.9664 -36.1667 155.623 PRESSAVG: 2027800 12.3811 -20.6167 81.5399 -20.6167 -16.6728 8.68628 81.5399 8.68623 6.73391 GPRESSAVG: 2027800 13.0603 -21.5782 79.4925 -22.2535 -18.0706 6.54063 78.3081 9.95326 6.676 TIMING: 2027800 CPU: 6395.17, 0.00314962/step Wall: 6395.17, 0.00314962/step, 2.60036 hours remaining, 238.148438 MB of memory in use. ENERGY: 2027800 3963.1682 20508.2169 14433.9763 240.4121 -203356.2229 2320.4392 0.0000 0.0000 52346.0028 -109544.0073 300.8332 -161890.0101 -109187.3529 299.6573 103.4735 123.8412 761236.4032 0.8141 0.5552 PRESSURE: 2028000 37.932 -137.867 -156.218 -137.867 -216.595 -107.402 -156.218 -107.402 291.324 GPRESSURE: 2028000 83.8601 -112.354 -223.533 17.2751 -132.065 -83.8334 -185.353 -124.62 259.892 PRESSAVG: 2028000 1.04163 12.0438 34.654 12.0438 20.6579 -20.0219 34.654 -20.0219 12.3989 GPRESSAVG: 2028000 1.3441 12.5035 35.3114 13.4198 20.6595 -18.9445 35.186 -19.3286 12.762 TIMING: 2028000 CPU: 6395.8, 0.00314885/step Wall: 6395.8, 0.00314885/step, 2.59955 hours remaining, 238.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2028000 3978.8033 20498.8507 14455.0504 249.5468 -203465.6418 2462.0878 0.0000 0.0000 51988.6796 -109832.6233 298.7797 -161821.3029 -109465.1282 299.1060 37.5538 70.5624 760373.7426 11.3662 11.5885 PRESSURE: 2028200 -176.792 145.518 -85.4612 145.518 -121.536 30.3983 -85.4605 30.3972 62.4795 GPRESSURE: 2028200 -218.348 120.043 -100.278 129.903 -24.3994 182.17 -56.129 -129.617 92.0391 PRESSAVG: 2028200 -0.549523 54.58 0.0905012 54.58 -58.4538 9.57096 0.0905407 9.57096 0.572827 GPRESSAVG: 2028200 -1.35398 54.118 0.392613 53.3264 -57.9723 9.02181 3.14763 8.43735 1.13919 TIMING: 2028200 CPU: 6396.43, 0.00317034/step Wall: 6396.43, 0.00317034/step, 2.61712 hours remaining, 238.148438 MB of memory in use. ENERGY: 2028200 3911.9121 20471.2423 14502.4534 242.5668 -203640.2546 2563.9127 0.0000 0.0000 51976.7966 -109971.3707 298.7114 -161948.1673 -109611.3209 298.5605 -78.6162 -50.2363 760190.7716 -19.4768 -19.3957 LDB: ============= START OF LOAD BALANCING ============== 6408.83 LDB: ============== END OF LOAD BALANCING =============== 6408.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6408.83 LDB: ============= START OF LOAD BALANCING ============== 6409.15 LDB: Largest compute 7034 load 0.034643 is 17.7% of average load 0.196035 LDB: Average compute 0.004424 is 2.3% of average load 0.196035 LDB: TIME 6409.15 LOAD: AVG 0.196035 MAX 0.216731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.746 MB LDB: TIME 6409.15 LOAD: AVG 0.196035 MAX 0.216731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.82 MB LDB: TIME 6409.16 LOAD: AVG 0.196035 MAX 0.216731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.82 MB LDB: ============== END OF LOAD BALANCING =============== 6409.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6409.16 PRESSURE: 2028400 -64.3273 -154.285 -84.8776 -154.285 -250.864 0.150554 -84.8778 0.150745 -41.4439 GPRESSURE: 2028400 -69.3661 -13.7787 -154.837 -120.629 -179.067 86.2803 -5.56435 102.48 -20.2149 PRESSAVG: 2028400 14.7558 -31.6988 3.91489 -31.6988 -9.9614 43.0309 3.91487 43.0308 9.04774 GPRESSAVG: 2028400 15.2541 -34.1749 4.21258 -28.8983 -8.86162 42.6274 2.10737 43.5189 7.62797 TIMING: 2028400 CPU: 6397.08, 0.00323393/step Wall: 6397.08, 0.00323393/step, 2.66943 hours remaining, 239.546875 MB of memory in use. ENERGY: 2028400 4003.6648 20401.0866 14391.3757 250.6851 -203309.9930 2331.7728 0.0000 0.0000 51940.0607 -109991.3473 298.5002 -161931.4080 -109626.7715 298.1990 -118.8783 -89.5493 759036.7680 4.6141 4.6735 PRESSURE: 2028600 -104.899 25.647 -85.4177 25.6467 286.814 -41.4478 -85.4169 -41.4474 105.67 GPRESSURE: 2028600 11.6006 -13.8714 -126.353 -27.1984 213.056 -100.001 -13.1942 -52.6402 129.363 PRESSAVG: 2028600 -2.12812 57.0405 -9.04659 57.0404 45.2647 -49.0562 -9.04659 -49.0562 9.92193 GPRESSAVG: 2028600 -2.6342 59.1467 -9.67147 55.9632 44.3196 -47.8898 -9.99815 -48.8353 10.8407 TIMING: 2028600 CPU: 6397.72, 0.00319674/step Wall: 6397.72, 0.00319674/step, 2.63856 hours remaining, 239.613281 MB of memory in use. ENERGY: 2028600 3969.2144 20745.3779 14479.4226 252.9506 -204345.8041 2749.5962 0.0000 0.0000 52160.5315 -109988.7109 299.7673 -162149.2424 -109633.8074 298.6474 95.8616 118.0065 758189.2334 17.6862 17.5087 PRESSURE: 2028800 131.512 -30.8026 -18.2359 -30.8032 -234.588 118.038 -18.2349 118.037 -101.606 GPRESSURE: 2028800 162.645 39.2174 27.0344 -61.1643 -189.373 35.6273 -52.9498 64.1047 -104.603 PRESSAVG: 2028800 -15.5485 -2.58344 30.0886 -2.58339 9.10405 17.4364 30.0886 17.4364 8.30479 GPRESSAVG: 2028800 -15.1795 -0.261857 30.0829 -4.15878 10.0429 16.9011 29.7364 17.6029 6.00615 TIMING: 2028800 CPU: 6398.35, 0.00315184/step Wall: 6398.35, 0.00315184/step, 2.60132 hours remaining, 239.613281 MB of memory in use. ENERGY: 2028800 3969.2162 20592.2872 14507.8992 250.9897 -203830.1674 2677.1511 0.0000 0.0000 51935.5816 -109897.0424 298.4745 -161832.6240 -109518.5384 298.6235 -68.2276 -43.7771 759735.1172 0.6201 0.2898 PRESSURE: 2029000 -2.23423 166.722 85.6175 166.722 -159.111 325.868 85.6177 325.868 -177.979 GPRESSURE: 2029000 93.2518 105.148 39.5045 164.505 -184.977 283.139 228.894 297.643 -158.996 PRESSAVG: 2029000 5.78218 1.01204 54.6916 1.01208 21.418 -15.7772 54.6916 -15.7772 -2.78437 GPRESSAVG: 2029000 4.34427 0.0557332 53.7657 0.709934 21.074 -14.4278 55.8423 -14.9843 -0.448182 TIMING: 2029000 CPU: 6398.98, 0.00313852/step Wall: 6398.98, 0.00313852/step, 2.59015 hours remaining, 239.613281 MB of memory in use. ENERGY: 2029000 3935.0044 20396.2489 14413.6783 235.9936 -203598.2802 2713.8863 0.0000 0.0000 52002.0433 -109901.4253 298.8565 -161903.4686 -109534.7550 298.8304 -113.1080 -83.5738 760003.8893 8.1386 8.3233 PRESSURE: 2029200 24.8796 -174.317 132.161 -174.316 -37.0222 13.3767 132.162 13.3774 -34.8982 GPRESSURE: 2029200 104.696 -154.072 152.238 -221.127 -8.18115 51.0443 34.4486 -40.5268 -69.6489 PRESSAVG: 2029200 -6.71392 39.1256 51.3477 39.1256 42.0543 2.77531 51.3477 2.77521 7.05243 GPRESSAVG: 2029200 -5.52858 38.1784 52.6069 40.5489 42.9092 4.11488 51.5643 1.62796 5.06934 TIMING: 2029200 CPU: 6399.61, 0.00315772/step Wall: 6399.61, 0.00315772/step, 2.60582 hours remaining, 239.613281 MB of memory in use. ENERGY: 2029200 4012.1504 20466.2802 14474.4215 226.2431 -203795.5922 2478.4702 0.0000 0.0000 51966.3965 -110171.6303 298.6516 -162138.0268 -109805.3327 298.5530 -15.6803 8.9552 758630.5789 14.1309 14.1500 PRESSURE: 2029400 -50.2412 70.9103 -8.56394 70.9115 -156.516 37.9648 -8.56321 37.9637 -77.9301 GPRESSURE: 2029400 -70.7914 142.283 41.6075 70.3317 -80.5861 3.7684 -43.1776 -15.1986 -23.679 PRESSAVG: 2029400 -8.93687 -37.9452 27.5033 -37.9452 28.3527 50.1118 27.5033 50.1119 12.1062 GPRESSAVG: 2029400 -8.58083 -36.5384 27.525 -38.7893 27.2776 49.8901 27.4737 51.7062 12.8371 TIMING: 2029400 CPU: 6400.24, 0.00315275/step Wall: 6400.24, 0.00315275/step, 2.60154 hours remaining, 239.613281 MB of memory in use. ENERGY: 2029400 4017.5311 20486.1648 14397.6319 239.9039 -203349.0943 2330.0093 0.0000 0.0000 51793.4333 -110084.4200 297.6576 -161877.8533 -109723.1070 298.3028 -94.8959 -58.3522 759357.4769 10.5073 10.5113 PRESSURE: 2029600 -338.896 168.061 -146.081 168.061 57.8838 -89.9789 -146.08 -89.979 -73.7438 GPRESSURE: 2029600 -264.052 106.915 -138.736 129.377 46.553 -88.4359 6.07836 63.6247 -62.3654 PRESSAVG: 2029600 -22.236 -24.5935 -20.6831 -24.5935 29.6858 76.2177 -20.6831 76.2176 1.63794 GPRESSAVG: 2029600 -23.9064 -25.9969 -21.8845 -22.1584 30.9529 73.426 -20.7967 76.9162 1.80291 TIMING: 2029600 CPU: 6400.87, 0.00314251/step Wall: 6400.87, 0.00314251/step, 2.59292 hours remaining, 239.613281 MB of memory in use. ENERGY: 2029600 3959.1337 20348.9161 14521.0832 249.8919 -203272.0141 2415.3687 0.0000 0.0000 51811.7327 -109965.8877 297.7627 -161777.6204 -109603.2088 298.1017 -118.2521 -93.2880 759886.7779 3.0292 2.9498 PRESSURE: 2029800 150.219 136.848 -98.4028 136.849 -102.357 70.4287 -98.4023 70.4289 -4.75016 GPRESSURE: 2029800 199.549 125.932 -83.7271 -37.5844 -56.4962 33.6277 10.7487 140.607 -21.1253 PRESSAVG: 2029800 -18.1285 -5.37621 41.0518 -5.37619 7.77971 59.8038 41.0517 59.8039 9.31151 GPRESSAVG: 2029800 -17.7313 -6.11296 43.7182 -7.36335 7.17308 59.4646 40.683 60.1918 9.45276 TIMING: 2029800 CPU: 6401.5, 0.00314292/step Wall: 6401.5, 0.00314292/step, 2.59308 hours remaining, 239.613281 MB of memory in use. ENERGY: 2029800 3965.5887 20269.9218 14368.4840 248.2492 -203555.3235 2728.1289 0.0000 0.0000 52097.4486 -109877.5023 299.4048 -161974.9509 -109508.4199 298.3657 14.3707 40.6424 759425.3475 -0.3458 -0.3685 PRESSURE: 2030000 -108.433 83.6077 -123.148 83.6072 84.3726 -60.8368 -123.148 -60.8359 -232.468 GPRESSURE: 2030000 -95.7428 26.7612 -122.388 91.6574 185.725 -88.0376 -206.942 29.7765 -253.258 PRESSAVG: 2030000 40.6123 -0.951802 10.7352 -0.951844 -11.5524 3.10142 10.7351 3.10143 8.71255 GPRESSAVG: 2030000 40.8678 0.95464 9.53197 -0.895842 -12.2603 5.32786 10.6404 0.736795 9.28037 TIMING: 2030000 CPU: 6402.12, 0.00313986/step Wall: 6402.12, 0.00313986/step, 2.59038 hours remaining, 239.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2030000 3967.2694 20503.2804 14400.0285 246.7106 -203608.1458 2510.4497 0.0000 0.0000 51883.0595 -110097.3476 298.1727 -161980.4072 -109737.3267 298.8322 -85.5096 -54.4251 761134.7804 12.5908 12.6293 PRESSURE: 2030200 -37.8776 151.691 118.702 151.691 317.805 -7.69822 118.702 -7.69814 -483.1 GPRESSURE: 2030200 68.5258 308.097 35.066 51.9757 380.795 15.1781 202.926 -53.2883 -569.571 PRESSAVG: 2030200 50.0934 -45.8345 -8.82948 -45.8344 -84.9006 -37.0305 -8.8295 -37.0305 -9.73648 GPRESSAVG: 2030200 51.3499 -46.404 -9.71358 -45.9382 -84.8647 -36.6872 -8.14763 -37.0716 -10.6763 TIMING: 2030200 CPU: 6402.76, 0.00316851/step Wall: 6402.76, 0.00316851/step, 2.61385 hours remaining, 239.613281 MB of memory in use. ENERGY: 2030200 4016.8984 20329.2354 14390.8096 246.9999 -203338.2234 2480.5395 0.0000 0.0000 52008.4030 -109865.3377 298.8930 -161873.7406 -109504.6894 298.8156 -67.7242 -40.0835 761444.9419 -14.8479 -14.7303 PRESSURE: 2030400 7.5466 -184.519 19.4664 -184.519 -105.023 -130.333 19.4658 -130.335 -139.171 GPRESSURE: 2030400 17.9432 -269.504 -20.2142 -126.55 -51.6465 -76.7544 16.5545 -62.8512 -107.271 PRESSAVG: 2030400 51.2193 -30.5139 27.1463 -30.5138 -3.65755 -46.4656 27.1463 -46.4657 -6.92476 GPRESSAVG: 2030400 50.6389 -30.3106 28.366 -28.5413 -2.84237 -46.0506 25.8817 -46.8609 -7.86923 TIMING: 2030400 CPU: 6403.39, 0.00314983/step Wall: 6403.39, 0.00314983/step, 2.59826 hours remaining, 239.613281 MB of memory in use. ENERGY: 2030400 3933.8615 20614.0534 14406.8078 245.3719 -203812.8370 2855.5486 0.0000 0.0000 52088.3305 -109668.8632 299.3524 -161757.1937 -109303.9647 299.0100 -78.8824 -46.9914 760008.7741 13.5457 13.3091 PRESSURE: 2030600 25.9878 -138.478 287.678 -138.479 168.007 24.7714 287.678 24.771 53.9423 GPRESSURE: 2030600 117.444 -120.222 172.866 -100.219 124.869 54.9519 137.43 -45.5021 89.9783 PRESSAVG: 2030600 41.367 -37.4115 7.62189 -37.4116 0.481344 -55.691 7.62191 -55.691 11.2907 GPRESSAVG: 2030600 41.2594 -37.0472 7.84477 -38.4801 0.813185 -56.4016 5.48971 -53.9286 11.4998 TIMING: 2030600 CPU: 6404.02, 0.00315153/step Wall: 6404.02, 0.00315152/step, 2.59948 hours remaining, 239.613281 MB of memory in use. ENERGY: 2030600 3902.2165 20371.6467 14408.7924 245.8906 -203399.0605 2568.1579 0.0000 0.0000 52091.5836 -109810.7727 299.3710 -161902.3563 -109449.3979 299.4123 82.6456 110.7636 760440.9938 17.7130 17.8575 PRESSURE: 2030800 30.0689 -74.8109 154.719 -74.8112 137.51 59.2964 154.718 59.2958 79.1281 GPRESSURE: 2030800 96.5706 -174.646 285.546 40.3039 192.83 9.21236 171.752 -46.5238 42.6337 PRESSAVG: 2030800 -25.0991 14.8253 -49.592 14.8253 25.0863 43.0817 -49.5919 43.0817 6.89214 GPRESSAVG: 2030800 -24.8918 15.8117 -48.5071 14.1513 24.0144 42.8847 -49.5634 41.6002 8.32409 TIMING: 2030800 CPU: 6404.66, 0.00318774/step Wall: 6404.66, 0.00318774/step, 2.62918 hours remaining, 239.613281 MB of memory in use. ENERGY: 2030800 4030.2853 20532.2469 14422.2046 249.1058 -203282.7240 2422.7166 0.0000 0.0000 51728.8266 -109897.3382 297.2863 -161626.1648 -109547.7840 298.4492 82.2358 110.6780 761533.0372 2.2931 2.4822 PRESSURE: 2031000 158.628 296.726 -136.965 296.725 274.752 13.6004 -136.965 13.6008 -146.793 GPRESSURE: 2031000 174.621 296.659 -144.385 164.606 305.397 -94.886 -9.11405 109.432 -110.896 PRESSAVG: 2031000 14.9692 -24.4067 -5.01528 -24.4067 -16.263 18.1429 -5.01531 18.143 -17.067 GPRESSAVG: 2031000 13.8673 -28.4013 -7.53835 -23.4729 -15.0243 17.6527 -1.00894 20.1268 -17.0404 TIMING: 2031000 CPU: 6405.29, 0.00317499/step Wall: 6405.29, 0.00317499/step, 2.61848 hours remaining, 239.613281 MB of memory in use. ENERGY: 2031000 4016.6000 20335.5952 14399.6989 256.6971 -203352.2291 2367.7421 0.0000 0.0000 51961.4618 -110014.4340 298.6232 -161975.8958 -109665.4620 298.5259 95.5291 123.0407 760417.3724 -6.1203 -6.0658 PRESSURE: 2031200 35.429 38.0504 -16.5405 38.0508 -166.34 -187.664 -16.5401 -187.664 -158.587 GPRESSURE: 2031200 45.4283 1.19114 -88.0726 43.4506 -99.3184 -72.1307 15.1055 -134.527 -149.235 PRESSAVG: 2031200 25.1854 21.1327 -7.20834 21.1326 -27.251 -19.283 -7.20836 -19.283 -6.09815 GPRESSAVG: 2031200 26.3649 22.5941 -5.94445 20.0928 -28.8799 -19.2124 -7.81114 -19.7992 -5.37305 TIMING: 2031200 CPU: 6405.93, 0.00319001/step Wall: 6405.93, 0.00319001/step, 2.6307 hours remaining, 239.613281 MB of memory in use. ENERGY: 2031200 4062.4576 20463.2516 14333.0630 253.0078 -203258.1688 2452.9678 0.0000 0.0000 51754.4724 -109938.9487 297.4337 -161693.4211 -109585.1628 298.3944 -96.4993 -67.7083 763196.4606 -2.7213 -2.6294 PRESSURE: 2031400 -43.9383 131.876 87.2252 131.876 87.0512 -178.028 87.2251 -178.028 -75.8807 GPRESSURE: 2031400 -77.4763 66.0383 65.8494 158.317 147.892 -58.9338 85.3052 -129.777 -29.0395 PRESSAVG: 2031400 -35.0593 49.2208 4.49601 49.2209 0.279117 50.681 4.49607 50.681 -17.0559 GPRESSAVG: 2031400 -34.6115 51.2423 3.02893 48.4503 0.855365 51.1785 1.70648 50.4353 -18.5091 TIMING: 2031400 CPU: 6406.56, 0.00315201/step Wall: 6406.56, 0.00315201/step, 2.59918 hours remaining, 239.613281 MB of memory in use. ENERGY: 2031400 3969.2474 20501.9786 14413.0564 245.5431 -203348.2710 2455.6981 0.0000 0.0000 51795.3856 -109967.3618 297.6688 -161762.7474 -109602.7061 298.7583 -10.9226 13.7919 761204.4635 -17.2787 -17.4217 PRESSURE: 2031600 -255.61 102.819 -55.3187 102.82 -119.402 69.5623 -55.3184 69.5631 108.538 GPRESSURE: 2031600 -246.244 125.003 -68.5152 108.436 -54.0436 42.1524 -39.6171 -170.532 112.177 PRESSAVG: 2031600 -24.8922 27.1796 -21.6921 27.1796 40.4185 24.7043 -21.6921 24.7042 10.9816 GPRESSAVG: 2031600 -25.0037 25.498 -21.9563 27.6935 40.4994 24.8118 -20.1638 24.4022 10.8336 TIMING: 2031600 CPU: 6407.19, 0.00315464/step Wall: 6407.19, 0.00315464/step, 2.60118 hours remaining, 239.613281 MB of memory in use. ENERGY: 2031600 3998.9366 20470.1169 14456.8140 249.8928 -203626.6917 2713.3370 0.0000 0.0000 51696.7812 -110040.8132 297.1021 -161737.5944 -109673.9379 298.2877 -88.8247 -62.7034 761682.5385 8.8360 8.7764 PRESSURE: 2031800 44.3488 35.4517 31.4363 35.4513 -0.460868 108.626 31.4354 108.626 -95.3689 GPRESSURE: 2031800 23.2589 65.6477 40.9791 88.8456 30.1903 114.046 -0.415024 114.636 -29.387 PRESSAVG: 2031800 5.85161 -14.1918 27.1297 -14.1918 10.839 46.4192 27.1297 46.4193 9.30092 GPRESSAVG: 2031800 5.69037 -14.2638 29.0867 -12.3362 11.7042 46.9181 27.2321 44.9029 8.58336 TIMING: 2031800 CPU: 6407.82, 0.00314601/step Wall: 6407.82, 0.003146/step, 2.59388 hours remaining, 239.613281 MB of memory in use. ENERGY: 2031800 4023.6461 20365.3846 14396.9286 246.3640 -204098.8463 2935.7341 0.0000 0.0000 52029.8231 -110100.9658 299.0161 -162130.7888 -109730.9872 298.0917 -17.1603 8.0207 759968.2585 8.6638 8.6593 PRESSURE: 2032000 172.446 233.309 -129.946 233.308 -58.6639 88.2172 -129.947 88.2169 469.276 GPRESSURE: 2032000 165.414 259.13 16.8554 208.28 -2.33426 9.13501 -13.4295 115.686 501.206 PRESSAVG: 2032000 -10.0508 42.2833 46.1592 42.2833 -24.0048 10.5352 46.1591 10.5351 -1.12226 GPRESSAVG: 2032000 -10.358 45.0514 47.1018 41.2021 -24.5101 11.3934 44.9884 10.779 -0.59787 TIMING: 2032000 CPU: 6408.45, 0.0031622/step Wall: 6408.45, 0.0031622/step, 2.60706 hours remaining, 239.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2032000 3919.2520 20413.8536 14420.6212 247.9112 -203270.7622 2365.2084 0.0000 0.0000 51604.1256 -110299.7902 296.5696 -161903.9158 -109937.5488 298.1099 194.3527 221.4287 759881.0682 -11.7259 -11.8220 PRESSURE: 2032200 7.13073 -66.8245 98.6002 -66.8246 358.674 -48.8486 98.6007 -48.8476 166.723 GPRESSURE: 2032200 69.6092 34.4174 77.2701 -128.956 382.423 -90.126 121.692 -118.832 165.886 PRESSAVG: 2032200 -21.1842 39.2016 1.94998 39.2017 -7.79777 31.1751 1.94994 31.175 22.9283 GPRESSAVG: 2032200 -21.1551 37.7641 0.811469 38.138 -7.33444 29.7107 3.98125 30.526 22.6791 TIMING: 2032200 CPU: 6409.08, 0.00314142/step Wall: 6409.08, 0.00314142/step, 2.58975 hours remaining, 239.613281 MB of memory in use. ENERGY: 2032200 3972.2503 20389.7315 14382.7053 256.5859 -203232.8887 2417.8183 0.0000 0.0000 51593.4835 -110220.3140 296.5085 -161813.7975 -109869.2700 297.4123 177.5091 205.9726 762473.8461 -2.0179 -1.9368 LDB: ============= START OF LOAD BALANCING ============== 6421.48 LDB: ============== END OF LOAD BALANCING =============== 6421.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6421.48 LDB: ============= START OF LOAD BALANCING ============== 6421.8 LDB: Largest compute 7025 load 0.035370 is 18.1% of average load 0.195934 LDB: Average compute 0.004419 is 2.3% of average load 0.195934 LDB: TIME 6421.8 LOAD: AVG 0.195934 MAX 0.217954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.516 MB LDB: TIME 6421.8 LOAD: AVG 0.195934 MAX 0.217954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.719 MB LDB: TIME 6421.8 LOAD: AVG 0.195934 MAX 0.217954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.719 MB LDB: ============== END OF LOAD BALANCING =============== 6421.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6421.81 PRESSURE: 2032400 149.404 212.201 133.442 212.201 29.0673 -187.419 133.442 -187.419 7.7181 GPRESSURE: 2032400 167.532 200.379 232.019 207.902 128.871 -73.0244 34.0541 -130.462 -31.9413 PRESSAVG: 2032400 -24.5713 67.568 -17.0003 67.568 14.6326 -16.3017 -17.0004 -16.3017 -12.4695 GPRESSAVG: 2032400 -25.3955 68.0807 -17.1652 67.4129 14.5718 -16.8893 -17.3715 -13.9904 -11.7107 TIMING: 2032400 CPU: 6409.73, 0.00324376/step Wall: 6409.73, 0.00324376/step, 2.67394 hours remaining, 238.781250 MB of memory in use. ENERGY: 2032400 3975.9886 20376.3991 14376.9506 249.0637 -203485.0911 2416.9599 0.0000 0.0000 52093.7454 -109995.9838 299.3835 -162089.7292 -109621.1429 298.1779 62.0630 88.1537 759836.2098 -7.4694 -7.5115 PRESSURE: 2032600 349.603 -190.575 -257.821 -190.576 33.291 42.1159 -257.821 42.1161 324.541 GPRESSURE: 2032600 349.734 -154.241 -179.312 -114.291 130.35 96.786 -173.393 -50.3218 303.741 PRESSAVG: 2032600 23.2406 18.3792 43.7004 18.3792 -21.4945 -25.1479 43.7004 -25.1479 -5.71463 GPRESSAVG: 2032600 23.7556 15.744 43.2086 19.8102 -22.0237 -24.7907 42.8258 -28.9354 -6.35351 TIMING: 2032600 CPU: 6410.36, 0.00316997/step Wall: 6410.36, 0.00316997/step, 2.61293 hours remaining, 238.781250 MB of memory in use. ENERGY: 2032600 3918.1324 20367.5810 14452.5195 247.6568 -203681.2812 2564.8691 0.0000 0.0000 52136.2643 -109994.2581 299.6278 -162130.5224 -109629.3036 298.3951 235.8118 261.2750 758715.6348 -1.3228 -1.5405 PRESSURE: 2032800 -48.1653 55.3477 -30.8039 55.3485 131.768 70.9664 -30.8033 70.9664 8.21328 GPRESSURE: 2032800 94.2509 54.2963 44.6761 134.329 119.17 66.8998 -61.3953 102.051 -14.4845 PRESSAVG: 2032800 23.6544 -28.1781 -13.8002 -28.1782 -36.5637 11.2199 -13.8001 11.2199 -2.05978 GPRESSAVG: 2032800 24.4813 -25.5314 -12.4675 -31.324 -36.4415 11.216 -12.1963 14.5511 -2.94564 TIMING: 2032800 CPU: 6411, 0.00316602/step Wall: 6411, 0.00316603/step, 2.60951 hours remaining, 238.781250 MB of memory in use. ENERGY: 2032800 4017.1193 20358.4804 14448.6701 220.9270 -203360.1279 2347.9043 0.0000 0.0000 51944.6292 -110022.3977 298.5265 -161967.0269 -109661.6108 298.0053 30.6054 66.3120 759228.8270 -4.9897 -4.9686 PRESSURE: 2033000 -8.63342 -3.25144 182.483 -3.25075 -464.34 30.7427 182.484 30.7429 179.073 GPRESSURE: 2033000 -24.3645 -102.375 188.736 -74.8908 -354.056 -108.3 22.6253 -52.2155 210.573 PRESSAVG: 2033000 0.416808 61.3177 -29.2415 61.3177 9.35495 -17.7109 -29.2414 -17.7109 13.1724 GPRESSAVG: 2033000 1.18283 61.3704 -30.844 62.9723 7.69607 -17.0378 -31.9476 -18.7255 14.9485 TIMING: 2033000 CPU: 6411.63, 0.00316326/step Wall: 6411.63, 0.00316326/step, 2.60705 hours remaining, 238.781250 MB of memory in use. ENERGY: 2033000 3957.7920 20265.0902 14466.9805 252.4952 -203189.8874 2275.1715 0.0000 0.0000 51881.0087 -110091.3492 298.1609 -161972.3579 -109728.3979 297.9896 -97.9666 -55.9492 759370.1564 7.6480 7.9425 PRESSURE: 2033200 135.765 -59.362 -151.536 -59.3623 -218.529 -60.7256 -151.537 -60.7247 73.4482 GPRESSURE: 2033200 147.657 -15.4544 -153.791 -102.692 -190.414 -132.608 11.0498 84.7575 103.704 PRESSAVG: 2033200 67.7799 7.04577 28.8127 7.04579 -45.4426 -27.4851 28.8127 -27.485 18.5934 GPRESSAVG: 2033200 66.7035 5.72727 28.471 7.50113 -44.1111 -29.619 32.34 -25.6069 17.9657 TIMING: 2033200 CPU: 6412.26, 0.00318417/step Wall: 6412.26, 0.00318417/step, 2.62411 hours remaining, 238.781250 MB of memory in use. ENERGY: 2033200 3953.2957 20684.5649 14380.0434 264.2922 -203682.5751 2617.3852 0.0000 0.0000 51880.7880 -109902.2057 298.1596 -161782.9937 -109542.5301 298.6676 -3.1052 20.3160 760118.8861 13.6436 13.5194 PRESSURE: 2033400 -277.981 -124.503 -148.911 -124.502 -167.45 -11.3731 -148.911 -11.3728 -286.758 GPRESSURE: 2033400 -226.196 -103.193 -161.065 -57.4562 -116.304 33.0014 -120.515 -0.299984 -276.258 PRESSAVG: 2033400 -17.692 28.7069 -3.10752 28.7069 -25.7538 -10.2515 -3.10752 -10.2514 -7.42956 GPRESSAVG: 2033400 -17.7818 27.222 -0.27446 27.3119 -26.1331 -8.00654 -4.43662 -11.9781 -7.51967 TIMING: 2033400 CPU: 6412.9, 0.00316744/step Wall: 6412.9, 0.00316744/step, 2.61015 hours remaining, 238.781250 MB of memory in use. ENERGY: 2033400 4014.5998 20284.6281 14410.3481 246.7473 -203626.9226 2606.4977 0.0000 0.0000 52001.7183 -110062.3833 298.8546 -162064.1016 -109699.4349 298.6721 -244.0630 -206.2527 759449.3621 -16.9585 -17.1449 PRESSURE: 2033600 -57.9143 -101.128 52.2525 -101.129 126.811 79.546 52.2527 79.5449 -253.674 GPRESSURE: 2033600 45.6368 -112.276 0.618814 26.9238 116.116 68.5015 50.5692 106.248 -268.754 PRESSAVG: 2033600 2.81761 -29.2226 -9.56535 -29.2226 29.6738 26.1859 -9.56534 26.1859 -15.2312 GPRESSAVG: 2033600 3.3475 -26.8354 -10.1319 -29.6409 29.1862 26.6152 -8.89353 24.5228 -15.2724 TIMING: 2033600 CPU: 6413.53, 0.00315309/step Wall: 6413.53, 0.00315309/step, 2.59815 hours remaining, 238.781250 MB of memory in use. ENERGY: 2033600 4036.8351 20557.2546 14398.0470 239.1032 -203868.7803 2648.1752 0.0000 0.0000 51788.1657 -110201.1995 297.6273 -161989.3652 -109838.8897 298.3567 -61.5923 -35.6670 760840.1696 5.7534 5.7538 PRESSURE: 2033800 -351.247 52.0758 -31.4894 52.0755 168.873 -45.356 -31.4894 -45.3554 -456.383 GPRESSURE: 2033800 -135.874 3.20908 -8.90486 37.3383 83.6695 -82.7919 -54.8395 -20.8097 -485.779 PRESSAVG: 2033800 4.67811 -86.9126 25.1226 -86.9126 -7.78663 -51.1016 25.1227 -51.1016 -6.11478 GPRESSAVG: 2033800 5.07105 -88.7098 23.6934 -87.1623 -8.31165 -53.1822 24.0996 -49.7853 -5.99729 TIMING: 2033800 CPU: 6414.16, 0.00315092/step Wall: 6414.16, 0.00315092/step, 2.59618 hours remaining, 238.781250 MB of memory in use. ENERGY: 2033800 4017.4307 20304.5912 14390.2755 244.7759 -203265.6793 2365.5347 0.0000 0.0000 51789.9666 -110153.1046 297.6376 -161943.0712 -109790.5303 298.2424 -212.9191 -179.3278 761162.2253 -3.0744 -3.0793 PRESSURE: 2034000 196.122 111.331 41.4942 111.332 214.357 40.9675 41.4935 40.9671 -151.906 GPRESSURE: 2034000 305.267 -49.4971 -8.54758 38.5548 167.095 41.2483 135.674 69.2916 -115.115 PRESSAVG: 2034000 9.74047 -19.6716 30.0707 -19.6716 34.5404 -14.6023 30.0707 -14.6023 14.9727 GPRESSAVG: 2034000 8.39477 -18.6793 30.4005 -18.3826 35.222 -14.8915 31.4586 -12.7517 15.3316 TIMING: 2034000 CPU: 6414.79, 0.00315147/step Wall: 6414.79, 0.00315147/step, 2.59646 hours remaining, 238.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2034000 3980.3703 20524.2599 14431.5611 226.7014 -203817.8025 2669.5556 0.0000 0.0000 51955.3475 -110030.0067 298.5881 -161985.3542 -109670.4992 298.9060 86.1910 119.0820 758515.3658 19.7512 19.6495 PRESSURE: 2034200 -371.065 -59.0483 60.4949 -59.0483 -254.018 -72.0206 60.4944 -72.0207 -255.67 GPRESSURE: 2034200 -263.568 -77.3706 56.8702 -87.362 -222.655 -47.7247 -17.5641 -173.259 -271.416 PRESSAVG: 2034200 -28.6651 15.3618 30.492 15.3619 36.7156 -18.4611 30.492 -18.461 -27.3373 GPRESSAVG: 2034200 -27.2183 15.2457 31.4962 16.1117 36.28 -18.3526 31.5848 -19.604 -28.3443 TIMING: 2034200 CPU: 6415.42, 0.00314737/step Wall: 6415.42, 0.00314737/step, 2.5929 hours remaining, 238.781250 MB of memory in use. ENERGY: 2034200 3956.0752 20556.3752 14434.4985 226.6467 -203391.4258 2287.8472 0.0000 0.0000 52026.2159 -109903.7672 298.9954 -161929.9831 -109548.9256 298.8652 -293.5842 -252.5462 759776.2054 -6.4289 -6.4276 PRESSURE: 2034400 -105.897 70.7595 -102.934 70.7595 153.62 -112.096 -102.934 -112.096 -24.3303 GPRESSURE: 2034400 -84.6263 65.7644 35.6475 34.286 184.791 -98.8022 -71.0719 -47.8293 3.8965 PRESSAVG: 2034400 -14.0989 -32.9373 16.2412 -32.9373 -36.5712 -8.9981 16.2412 -8.99806 14.2862 GPRESSAVG: 2034400 -14.3652 -33.3531 16.4165 -32.7803 -37.3047 -6.35739 13.9031 -9.98053 15.1487 TIMING: 2034400 CPU: 6416.05, 0.00313101/step Wall: 6416.05, 0.00313101/step, 2.57925 hours remaining, 238.781250 MB of memory in use. ENERGY: 2034400 4020.7820 20502.9271 14398.7293 238.5608 -203944.3694 2624.4664 0.0000 0.0000 52166.2013 -109992.7026 299.7999 -162158.9038 -109630.5951 299.1274 7.7975 34.6869 759613.2120 -12.1280 -12.1737 PRESSURE: 2034600 -498.875 111.768 -128.838 111.769 -545.237 -188.274 -128.838 -188.274 81.379 GPRESSURE: 2034600 -467.212 174.606 -105.175 1.89804 -445.989 -138.187 -140.182 -240.976 32.6469 PRESSAVG: 2034600 -20.8585 47.4679 34.6894 47.4679 10.4035 -30.2509 34.6894 -30.2508 4.42076 GPRESSAVG: 2034600 -20.424 48.0514 32.5907 46.535 10.108 -32.3129 37.0179 -29.0037 4.13519 TIMING: 2034600 CPU: 6416.67, 0.00314625/step Wall: 6416.67, 0.00314625/step, 2.59163 hours remaining, 238.781250 MB of memory in use. ENERGY: 2034600 3912.8335 20573.1502 14493.3480 235.0076 -203633.9651 2283.9738 0.0000 0.0000 51935.2380 -110200.4140 298.4725 -162135.6519 -109831.5579 299.1119 -320.9112 -293.5179 760800.4307 -2.0114 -2.0603 PRESSURE: 2034800 39.3552 266.951 253.906 266.952 -411.299 -21.2881 253.906 -21.2891 -36.5901 GPRESSURE: 2034800 30.0726 159.725 234.121 192.017 -335.323 -93.4488 21.8332 -199.031 -20.1353 PRESSAVG: 2034800 4.68205 27.7368 -1.37349 27.7368 30.8665 1.00033 -1.37348 1.00039 17.7467 GPRESSAVG: 2034800 3.34219 27.6583 -0.696791 28.9153 32.1221 0.664715 -1.79994 0.892811 18.1951 TIMING: 2034800 CPU: 6417.3, 0.00315036/step Wall: 6417.3, 0.00315036/step, 2.59484 hours remaining, 238.781250 MB of memory in use. ENERGY: 2034800 4041.2738 20536.2820 14399.7752 252.1981 -204076.6093 2575.3891 0.0000 0.0000 51968.8631 -110302.8280 298.6658 -162271.6911 -109942.1019 298.3905 -136.1779 -108.4618 758647.6666 17.7651 17.8865 PRESSURE: 2035000 -59.1449 191.47 -141.976 191.47 -162.61 -36.3881 -141.976 -36.3878 -277.672 GPRESSURE: 2035000 20.475 280.272 -131.513 306.016 -169.163 -20.2468 -38.8588 -19.3794 -271.77 PRESSAVG: 2035000 -50.7296 41.029 52.4826 41.029 36.9044 -15.7365 52.4826 -15.7366 -9.4899 GPRESSAVG: 2035000 -50.5668 41.2537 52.0018 39.7667 35.6478 -14.9736 51.2704 -15.6607 -9.09363 TIMING: 2035000 CPU: 6417.94, 0.00317007/step Wall: 6417.94, 0.00317007/step, 2.6109 hours remaining, 238.781250 MB of memory in use. ENERGY: 2035000 4004.1293 20382.8448 14447.1949 256.2595 -203853.0086 2626.1788 0.0000 0.0000 51926.4411 -110209.9601 298.4220 -162136.4012 -109861.4717 298.0703 -166.4758 -140.1526 759558.0336 -7.7717 -8.0042 PRESSURE: 2035200 91.3173 -17.4481 172.093 -17.4477 276.355 -28.3005 172.092 -28.3009 -222.4 GPRESSURE: 2035200 73.1956 5.56664 126.494 60.3323 289.678 0.679172 55.3053 -76.676 -132.419 PRESSAVG: 2035200 12.162 58.1897 14.891 58.1898 43.6042 -29.4274 14.8909 -29.4274 13.1309 GPRESSAVG: 2035200 11.4202 56.8451 15.8952 60.4083 44.9724 -28.5598 13.5382 -31.4087 12.711 TIMING: 2035200 CPU: 6418.57, 0.00315503/step Wall: 6418.57, 0.00315503/step, 2.59834 hours remaining, 238.781250 MB of memory in use. ENERGY: 2035200 3962.8854 20443.4492 14495.8826 231.7935 -204061.4603 2865.4932 0.0000 0.0000 51944.1979 -110117.7584 298.5240 -162061.9564 -109753.6067 298.4694 48.4242 76.8184 760728.0397 22.9657 23.0345 PRESSURE: 2035400 -302.747 289.738 151.499 289.739 43.7649 -87.0985 151.498 -87.0973 -129.758 GPRESSURE: 2035400 -183.627 291.595 76.3897 205.955 -9.22493 -55.9944 9.67118 -37.3384 -128.492 PRESSAVG: 2035400 31.3669 3.15715 -26.4332 3.15716 6.05859 -17.1817 -26.4333 -17.1818 0.982477 GPRESSAVG: 2035400 33.9334 2.13154 -27.2019 1.91015 3.41487 -15.3685 -25.476 -16.5328 1.44491 TIMING: 2035400 CPU: 6419.2, 0.0031635/step Wall: 6419.2, 0.0031635/step, 2.60514 hours remaining, 238.781250 MB of memory in use. ENERGY: 2035400 3974.5147 20469.8459 14523.1683 249.2156 -203857.9516 2546.6266 0.0000 0.0000 52178.3316 -109916.2491 299.8696 -162094.5806 -109559.2090 298.6381 -129.5800 -107.1146 760741.3094 12.8026 12.9311 PRESSURE: 2035600 -73.5288 4.92083 -213.779 4.92152 389.448 272.801 -213.78 272.8 138.55 GPRESSURE: 2035600 -13.6965 123.846 -229.113 3.73589 363.534 229.749 -128.589 322.185 200.027 PRESSAVG: 2035600 -80.2928 33.4501 -7.22821 33.4501 30.2172 -12.4895 -7.22824 -12.4895 15.9133 GPRESSAVG: 2035600 -82.4119 32.8307 -6.86989 34.3188 32.4225 -12.5269 -6.21804 -11.5548 15.4486 TIMING: 2035600 CPU: 6419.83, 0.00315573/step Wall: 6419.83, 0.00315573/step, 2.59857 hours remaining, 238.781250 MB of memory in use. ENERGY: 2035600 4046.6258 20429.2785 14523.8501 242.3703 -203456.1423 2579.3553 0.0000 0.0000 51788.9891 -109845.6733 297.6320 -161634.6624 -109483.9265 298.8012 151.4897 183.2881 760236.3214 -11.3874 -11.5136 PRESSURE: 2035800 227.176 64.7635 14.8132 64.7635 54.9161 85.487 14.8133 85.4873 -93.4664 GPRESSURE: 2035800 238.356 117.026 64.308 73.1442 143.9 -40.8227 -34.4467 2.56754 -107.155 PRESSAVG: 2035800 -45.6163 21.533 22.0145 21.5331 75.2199 24.1902 22.0145 24.1902 4.22599 GPRESSAVG: 2035800 -44.3497 23.5514 20.5631 19.8304 75.8942 23.7992 23.0977 24.6159 2.40567 TIMING: 2035800 CPU: 6420.46, 0.00312683/step Wall: 6420.46, 0.00312683/step, 2.5746 hours remaining, 238.781250 MB of memory in use. ENERGY: 2035800 4023.7456 20504.1578 14440.6896 252.8896 -204168.3215 2752.5694 0.0000 0.0000 51985.2948 -110208.9747 298.7602 -162194.2695 -109835.3649 298.2392 62.8754 91.7005 758815.5129 11.2765 11.3167 PRESSURE: 2036000 -234.821 37.7865 -86.4097 37.7861 118.899 -0.0878349 -86.4098 -0.0884118 302.409 GPRESSURE: 2036000 -34.6885 157.897 -39.4086 96.8157 88.2322 23.2778 -25.9056 -15.729 210.279 PRESSAVG: 2036000 0.374763 -1.27329 27.7848 -1.27328 28.4756 9.83213 27.7848 9.8322 -10.1561 GPRESSAVG: 2036000 0.823737 -0.767455 29.0861 0.271104 27.5104 8.24272 27.3438 10.4782 -9.63066 TIMING: 2036000 CPU: 6421.09, 0.00314486/step Wall: 6421.09, 0.00314486/step, 2.58927 hours remaining, 238.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2036000 3985.5276 20467.1246 14524.5778 234.9644 -203868.8955 2519.1321 0.0000 0.0000 51896.9039 -110240.6650 298.2522 -162137.5689 -109873.9090 297.9565 62.1621 87.9408 759389.7590 6.2314 6.2345 PRESSURE: 2036200 49.0873 64.4948 -230.964 64.4948 98.286 -16.8146 -230.963 -16.8149 374.262 GPRESSURE: 2036200 171.226 -79.151 -221.01 8.71775 102.597 -61.2699 -255.385 -15.3039 343.125 PRESSAVG: 2036200 -2.39531 -58.4736 17.7983 -58.4736 4.00733 -5.60609 17.7982 -5.60611 -3.87728 GPRESSAVG: 2036200 -2.12549 -59.4361 16.5739 -57.583 2.9974 -5.98741 16.9914 -5.49558 -3.02516 TIMING: 2036200 CPU: 6421.72, 0.00313992/step Wall: 6421.72, 0.00313992/step, 2.58502 hours remaining, 238.781250 MB of memory in use. ENERGY: 2036200 3935.9514 20516.8693 14514.4117 227.6857 -203491.2849 2453.3265 0.0000 0.0000 51564.6646 -110278.3755 296.3428 -161843.0402 -109919.2955 298.2373 173.8784 205.6491 759149.0959 -0.7551 -0.7177 LDB: ============= START OF LOAD BALANCING ============== 6434.11 LDB: ============== END OF LOAD BALANCING =============== 6434.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6434.11 LDB: ============= START OF LOAD BALANCING ============== 6434.43 LDB: Largest compute 7025 load 0.034187 is 17.4% of average load 0.195993 LDB: Average compute 0.004425 is 2.3% of average load 0.195993 LDB: TIME 6434.43 LOAD: AVG 0.195993 MAX 0.219782 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.074 MB LDB: TIME 6434.43 LOAD: AVG 0.195993 MAX 0.219782 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.074 MB LDB: TIME 6434.43 LOAD: AVG 0.195993 MAX 0.217069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.074 MB LDB: ============== END OF LOAD BALANCING =============== 6434.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6434.44 PRESSURE: 2036400 -251.489 130.094 87.3035 130.094 -123.254 -123.468 87.3036 -123.469 58.0575 GPRESSURE: 2036400 -244.239 142.683 22.2731 137.902 -34.7757 -178.753 154.023 -161.837 44.6883 PRESSAVG: 2036400 -35.7196 -13.18 3.705 -13.1801 32.8512 -15.7998 3.705 -15.7998 -13.2967 GPRESSAVG: 2036400 -36.8984 -11.4207 3.79967 -13.1353 34.5279 -15.2263 5.49518 -18.3473 -13.7573 TIMING: 2036400 CPU: 6422.35, 0.00319241/step Wall: 6422.35, 0.00319241/step, 2.62806 hours remaining, 239.554688 MB of memory in use. ENERGY: 2036400 4013.2403 20225.3726 14487.9605 240.5825 -203737.6749 2594.3910 0.0000 0.0000 51812.4112 -110363.7167 297.7666 -162176.1280 -110010.8879 297.1240 -105.5620 -78.1087 760286.1797 -5.3884 -5.3759 PRESSURE: 2036600 57.5924 75.3525 195.437 75.3533 14.2486 -133.593 195.437 -133.593 121.968 GPRESSURE: 2036600 37.3699 92.1645 185.002 -38.9917 101.634 -164.821 151.627 -19.1844 138.374 PRESSAVG: 2036600 -27.3399 4.95033 7.3302 4.9503 55.4472 -37.009 7.33029 -37.009 22.5403 GPRESSAVG: 2036600 -27.1296 3.88424 6.43844 2.81862 55.0641 -37.6782 7.25608 -36.8193 22.4902 TIMING: 2036600 CPU: 6422.98, 0.00312448/step Wall: 6422.98, 0.00312448/step, 2.57197 hours remaining, 239.554688 MB of memory in use. ENERGY: 2036600 3935.5745 20377.5274 14421.6819 228.1138 -203354.3121 2431.7383 0.0000 0.0000 51797.4986 -110162.1776 297.6809 -161959.6761 -109808.7221 298.0427 64.6029 92.4593 760974.3485 16.8826 16.8082 PRESSURE: 2036800 -327.039 -39.7592 298.309 -39.7602 6.23786 -148.757 298.308 -148.756 -84.0944 GPRESSURE: 2036800 -247.633 -54.693 371.695 -193.444 14.5033 -155.262 145.622 -85.8469 -56.3782 PRESSAVG: 2036800 18.5815 -11.1131 15.4087 -11.1131 10.2175 -18.1093 15.4087 -18.1093 30.8482 GPRESSAVG: 2036800 19.0902 -10.7622 17.6983 -12.1389 10.6883 -19.2392 13.3631 -18.1222 30.3219 TIMING: 2036800 CPU: 6423.61, 0.00315538/step Wall: 6423.61, 0.00315538/step, 2.59723 hours remaining, 239.554688 MB of memory in use. ENERGY: 2036800 3915.1561 20435.0463 14432.1122 247.8953 -203299.4807 2268.7834 0.0000 0.0000 51892.2362 -110108.2513 298.2254 -162000.4874 -109746.8522 298.2143 -134.9651 -96.5025 760999.3901 19.8824 20.0335 PRESSURE: 2037000 -65.4255 28.3592 -72.786 28.3594 -169.198 251.667 -72.7863 251.668 98.9852 GPRESSURE: 2037000 69.1753 165.916 -199.555 39.8433 -147.253 262.679 8.00823 87.667 14.4885 PRESSAVG: 2037000 7.92556 -3.38011 16.1459 -3.38014 -26.5048 7.76615 16.146 7.76619 -14.034 GPRESSAVG: 2037000 8.27186 -3.28967 14.1894 -1.99435 -26.8339 7.99049 17.2202 8.54885 -14.1902 TIMING: 2037000 CPU: 6424.24, 0.00313545/step Wall: 6424.24, 0.00313545/step, 2.58065 hours remaining, 239.554688 MB of memory in use. ENERGY: 2037000 3969.1026 20437.6366 14518.9865 235.5901 -203889.0242 2836.0371 0.0000 0.0000 51602.4012 -110289.2702 296.5597 -161891.6715 -109929.3387 297.6906 -45.2126 -21.1965 762036.2077 -10.8711 -10.9174 PRESSURE: 2037200 -221.642 -45.8259 -211.111 -45.8264 61.8293 -104.978 -211.111 -104.978 -180.183 GPRESSURE: 2037200 -162.67 -133.853 -255.235 -124.088 118.738 -128.325 -122.625 -6.97761 -210.238 PRESSAVG: 2037200 -0.935922 -39.4453 0.268624 -39.4453 14.0893 26.6442 0.268662 26.6441 16.6246 GPRESSAVG: 2037200 -2.14026 -39.6239 0.635306 -38.8626 14.9036 29.1634 1.39842 25.7718 16.7358 TIMING: 2037200 CPU: 6424.87, 0.00316017/step Wall: 6424.87, 0.00316017/step, 2.60082 hours remaining, 239.554688 MB of memory in use. ENERGY: 2037200 4016.3032 20493.8732 14456.0212 221.5561 -203770.4592 2742.1930 0.0000 0.0000 51792.2623 -110048.2502 297.6508 -161840.5125 -109692.8544 297.8910 -113.3319 -84.7234 760843.8734 9.9260 9.8331 PRESSURE: 2037400 -22.2673 -84.4592 181.575 -84.4598 -24.5183 -322.851 181.575 -322.852 -229.911 GPRESSURE: 2037400 -53.2836 -71.9743 223.832 -27.8471 44.6191 -343.658 0.279237 -178.482 -197.873 PRESSAVG: 2037400 14.7054 -55.7173 1.9042 -55.7173 -37.2281 -10.7206 1.90416 -10.7205 -16.639 GPRESSAVG: 2037400 14.6939 -55.7404 3.09546 -57.5089 -37.6887 -12.3833 0.848721 -8.79646 -16.1947 TIMING: 2037400 CPU: 6425.5, 0.00314844/step Wall: 6425.5, 0.00314844/step, 2.59099 hours remaining, 239.554688 MB of memory in use. ENERGY: 2037400 4070.7813 20529.1747 14473.6580 231.5915 -204215.8815 2840.5345 0.0000 0.0000 52180.5836 -109889.5580 299.8825 -162070.1416 -109531.3494 298.7742 -92.2322 -68.8459 759815.1543 -13.0539 -13.0632 PRESSURE: 2037600 -115.816 -270.436 85.9078 -270.436 -94.3492 -42.4403 85.9089 -42.4392 219.544 GPRESSURE: 2037600 -12.1912 -193.659 111.928 -422.914 -82.335 -92.5767 111.298 -121.616 190.883 PRESSAVG: 2037600 -0.204774 -42.0893 -28.7374 -42.0893 0.204881 1.4482 -28.7374 1.44819 12.1521 GPRESSAVG: 2037600 0.378804 -42.6364 -29.0664 -40.5341 0.462938 2.29983 -29.2036 -0.99382 11.665 TIMING: 2037600 CPU: 6426.12, 0.00312788/step Wall: 6426.12, 0.00312788/step, 2.57389 hours remaining, 239.554688 MB of memory in use. ENERGY: 2037600 3970.1639 20450.3875 14477.9636 277.2712 -203598.4369 2495.4334 0.0000 0.0000 52038.6546 -109888.5626 299.0669 -161927.2172 -109522.7479 299.1892 3.1260 32.1190 762257.2736 4.0507 4.1689 PRESSURE: 2037800 -179.639 -90.9428 -104.834 -90.9436 144.166 247.879 -104.833 247.879 -200.45 GPRESSURE: 2037800 -165.65 -135.209 -12.8816 -227.321 157.693 261.809 -131.092 173.998 -150.231 PRESSAVG: 2037800 -49.2418 -67.6194 -16.1363 -67.6194 84.0303 49.8644 -16.1363 49.8645 -5.04088 GPRESSAVG: 2037800 -48.7636 -66.7268 -15.4393 -68.6845 83.5614 49.3373 -16.9631 49.3748 -5.12867 TIMING: 2037800 CPU: 6426.75, 0.00314397/step Wall: 6426.75, 0.00314397/step, 2.58696 hours remaining, 239.554688 MB of memory in use. ENERGY: 2037800 3957.5956 20524.0109 14492.7349 255.0445 -203585.0597 2703.6783 0.0000 0.0000 51863.7382 -109788.2572 298.0616 -161651.9954 -109434.2717 298.4958 -78.6411 -52.7295 762472.2294 9.9159 9.8897 PRESSURE: 2038000 30.1607 -109.037 -75.9971 -109.038 -281.155 -53.6626 -75.9964 -53.6623 153.145 GPRESSURE: 2038000 59.5526 -140.144 -65.9529 -196.568 -142.94 -156.079 -168.03 28.8434 66.2971 PRESSAVG: 2038000 42.3579 -19.8416 28.4068 -19.8416 -44.5218 -4.74484 28.4068 -4.74484 4.25604 GPRESSAVG: 2038000 40.9877 -21.0226 28.5633 -19.1236 -43.7467 -4.56683 30.2987 -4.67924 4.23838 TIMING: 2038000 CPU: 6427.39, 0.00316046/step Wall: 6427.39, 0.00316046/step, 2.60036 hours remaining, 239.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2038000 4039.3248 20451.5502 14435.0381 237.1848 -203773.2827 2701.5949 0.0000 0.0000 52164.3878 -109744.2020 299.7895 -161908.5898 -109368.2424 298.8139 -32.6166 -5.6968 762083.8665 0.6974 0.4931 PRESSURE: 2038200 -376.443 167.018 -24.4302 167.018 -76.7475 -64.4406 -24.43 -64.4414 160.168 GPRESSURE: 2038200 -156.214 250.848 -13.5056 149.184 -103.823 -50.6583 45.872 -100.878 65.1729 PRESSAVG: 2038200 -13.2465 -26.2644 -18.4585 -26.2644 0.262867 5.42222 -18.4585 5.42229 -12.8853 GPRESSAVG: 2038200 -13.2789 -27.0433 -18.8123 -26.0161 -0.233261 4.92989 -18.3131 7.60944 -12.6355 TIMING: 2038200 CPU: 6428.02, 0.0031563/step Wall: 6428.02, 0.0031563/step, 2.59676 hours remaining, 239.554688 MB of memory in use. ENERGY: 2038200 3988.6858 20479.3591 14404.2516 253.1103 -203688.5368 2812.2671 0.0000 0.0000 51900.7540 -109850.1088 298.2743 -161750.8628 -109493.9027 298.8756 -97.6744 -64.9547 763600.9188 -8.6230 -8.7159 PRESSURE: 2038400 -260.967 -21.4431 55.1054 -21.4437 -29.6334 -150.924 55.1054 -150.926 -195.543 GPRESSURE: 2038400 -164.79 -84.0323 24.2907 -24.142 -96.1619 -8.34531 24.1627 -208.06 -136.047 PRESSAVG: 2038400 -4.0212 -24.8993 -5.1534 -24.8993 30.655 -10.9144 -5.15345 -10.9143 6.01525 GPRESSAVG: 2038400 -3.24661 -22.0758 -4.17266 -24.8447 30.306 -10.9063 -8.64791 -12.1447 5.43007 TIMING: 2038400 CPU: 6428.65, 0.00316224/step Wall: 6428.65, 0.00316224/step, 2.60147 hours remaining, 239.554688 MB of memory in use. ENERGY: 2038400 3935.8164 20527.9869 14424.1637 220.4866 -203541.8831 2599.4472 0.0000 0.0000 51959.6580 -109874.3242 298.6129 -161833.9822 -109503.0170 298.6472 -162.0479 -132.3329 762224.1113 10.8830 10.8298 PRESSURE: 2038600 -34.8091 117.917 20.8509 117.917 -324.862 31.2326 20.8505 31.2332 94.1897 GPRESSURE: 2038600 -23.3505 147.12 9.43304 70.2012 -344.148 13.5094 88.4908 -24.3574 175.951 PRESSAVG: 2038600 38.0078 -39.5926 -10.7149 -39.5926 -9.9231 -21.6278 -10.7149 -21.6278 -3.04504 GPRESSAVG: 2038600 36.5847 -39.6362 -12.1591 -40.2421 -9.92544 -19.8153 -8.4524 -23.0027 -1.92305 TIMING: 2038600 CPU: 6429.28, 0.00315717/step Wall: 6429.28, 0.00315717/step, 2.59712 hours remaining, 239.554688 MB of memory in use. ENERGY: 2038600 3955.4042 20711.2529 14440.7299 258.1938 -203457.8850 2362.4549 0.0000 0.0000 51888.4108 -109841.4384 298.2034 -161729.8493 -109489.2343 299.0312 -88.4939 -63.8491 760401.3397 8.3465 8.2454 PRESSURE: 2038800 -116.598 -150.086 -19.3775 -150.087 -200.903 12.1735 -19.3778 12.1728 454.899 GPRESSURE: 2038800 -31.9282 -23.7399 106.952 -53.8516 -132.204 -124.404 -65.8217 49.187 378.71 PRESSAVG: 2038800 -15.0499 -9.86647 1.45932 -9.86645 4.36687 -14.6573 1.45934 -14.6574 31.3847 GPRESSAVG: 2038800 -13.7656 -9.77647 3.42701 -8.0026 3.95828 -17.6835 -0.355449 -11.4409 29.8557 TIMING: 2038800 CPU: 6429.91, 0.00315805/step Wall: 6429.91, 0.00315805/step, 2.59767 hours remaining, 239.554688 MB of memory in use. ENERGY: 2038800 3954.8973 20497.1673 14392.1510 250.8279 -203656.5849 2698.4989 0.0000 0.0000 51960.1763 -109902.8662 298.6158 -161863.0425 -109542.6764 298.7889 45.7995 71.5258 760147.5144 6.9006 6.6828 PRESSURE: 2039000 -428.634 113.948 -57.5006 113.948 -588.932 207.689 -57.5002 207.69 -342.249 GPRESSURE: 2039000 -417.428 84.5103 -64.9873 68.8184 -476.892 158.865 -28.1645 146.721 -359.356 PRESSAVG: 2039000 -11.9159 -0.132096 -8.80152 -0.132122 -23.5249 -6.17097 -8.80154 -6.17092 -19.984 GPRESSAVG: 2039000 -11.5932 -1.38881 -10.1487 -2.61871 -23.7073 -4.48234 -6.88933 -8.53272 -19.8527 TIMING: 2039000 CPU: 6430.55, 0.00316564/step Wall: 6430.55, 0.00316564/step, 2.60374 hours remaining, 239.554688 MB of memory in use. ENERGY: 2039000 4053.6768 20576.7111 14365.5943 260.5056 -203491.8007 2494.8342 0.0000 0.0000 51890.3725 -109850.1062 298.2147 -161740.4787 -109496.7809 298.5265 -453.2718 -417.8919 760773.3301 -18.4749 -18.3844 PRESSURE: 2039200 283.831 -270.954 168.032 -270.954 0.0887372 150.312 168.032 150.312 154.814 GPRESSURE: 2039200 237.831 -262.194 166.282 -159.084 67.0197 64.0508 203.795 175.148 196.288 PRESSAVG: 2039200 -13.5339 -6.65216 32.7273 -6.65217 -4.61416 -4.96452 32.7273 -4.96448 -7.71249 GPRESSAVG: 2039200 -14.8107 -6.60569 31.8236 -4.04019 -4.57539 -7.04536 32.9975 -4.72007 -6.68092 TIMING: 2039200 CPU: 6431.18, 0.00315354/step Wall: 6431.18, 0.00315354/step, 2.59361 hours remaining, 239.554688 MB of memory in use. ENERGY: 2039200 3943.2659 20503.5607 14408.9139 243.4884 -203867.2893 2932.0499 0.0000 0.0000 52052.1822 -109783.8282 299.1446 -161836.0103 -109424.1650 298.7423 146.2445 167.0461 760963.2192 -8.6202 -8.6890 PRESSURE: 2039400 -142.773 109.508 -57.3416 109.509 -196.112 -25.4721 -57.3417 -25.4722 78.7466 GPRESSURE: 2039400 -44.5309 122.067 -70.4088 95.6497 -152.091 -31.4792 -87.2959 9.31037 30.6024 PRESSAVG: 2039400 12.7559 -0.572766 6.91476 -0.572735 -45.068 -25.6309 6.91471 -25.631 12.1166 GPRESSAVG: 2039400 14.1189 0.802264 7.22958 -2.52322 -45.5712 -24.7415 5.05466 -25.5796 10.9072 TIMING: 2039400 CPU: 6431.82, 0.00319535/step Wall: 6431.82, 0.00319535/step, 2.62782 hours remaining, 239.554688 MB of memory in use. ENERGY: 2039400 3976.2731 20509.1379 14381.2056 228.3018 -203382.5460 2745.0401 0.0000 0.0000 51980.3898 -109562.1977 298.7320 -161542.5874 -109196.3072 299.3149 -86.7126 -55.3398 762619.2789 -6.7318 -6.8484 PRESSURE: 2039600 20.7674 107.446 -106.719 107.446 -91.908 -28.6563 -106.718 -28.6567 -399.066 GPRESSURE: 2039600 87.7085 2.84346 -78.4847 137.083 -47.9562 -60.9315 -212.219 -106.001 -418.67 PRESSAVG: 2039600 64.4031 32.2812 -2.38325 32.2812 -42.1483 26.7251 -2.38329 26.725 18.6369 GPRESSAVG: 2039600 64.6064 29.902 -1.88054 32.6677 -41.7189 27.4672 -1.61005 27.7599 18.2445 TIMING: 2039600 CPU: 6432.45, 0.00319851/step Wall: 6432.45, 0.00319851/step, 2.63024 hours remaining, 239.554688 MB of memory in use. ENERGY: 2039600 4016.5298 20491.4971 14466.0561 250.0157 -203869.4446 2702.4278 0.0000 0.0000 52271.5786 -109671.3396 300.4055 -161942.9181 -109313.7647 299.5284 -156.7355 -126.3060 761366.9633 13.6306 13.7107 PRESSURE: 2039800 -241.962 -135.822 191.065 -135.823 -494.737 -144.103 191.065 -144.103 92.9224 GPRESSURE: 2039800 -215.16 -17.1502 235.517 -103.461 -398.048 -97.9729 297.387 -107.124 42.1257 PRESSAVG: 2039800 5.56753 27.7722 0.668882 27.7722 -85.9259 -16.4977 0.668954 -16.4977 5.91885 GPRESSAVG: 2039800 3.52041 27.5831 0.420166 28.4981 -84.2328 -17.1348 -0.275009 -14.5844 5.8197 TIMING: 2039800 CPU: 6433.09, 0.00316906/step Wall: 6433.09, 0.00316906/step, 2.60585 hours remaining, 239.554688 MB of memory in use. ENERGY: 2039800 3977.8794 20511.1643 14467.3880 247.3558 -203404.4503 2593.0347 0.0000 0.0000 51805.2413 -109802.3869 297.7254 -161607.6282 -109444.6071 298.4930 -214.5922 -190.3609 762344.1274 -24.8132 -24.9642 PRESSURE: 2040000 107.373 170.547 -108.55 170.548 -21.7681 -17.5121 -108.55 -17.5123 -398.324 GPRESSURE: 2040000 73.0905 144.089 10.2301 -10.4793 30.4367 -22.6896 -79.9187 -11.9488 -321.619 PRESSAVG: 2040000 17.1576 -28.8983 41.3524 -28.8983 0.92144 -19.5821 41.3523 -19.5821 15.3813 GPRESSAVG: 2040000 17.5418 -28.5664 41.8994 -31.2519 -0.579503 -20.3622 43.5446 -20.1139 16.27 TIMING: 2040000 CPU: 6433.72, 0.00315606/step Wall: 6433.72, 0.00315606/step, 2.59498 hours remaining, 239.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2040000 4023.6255 20485.0837 14504.7422 232.4903 -203425.5489 2531.4038 0.0000 0.0000 51861.0239 -109787.1795 298.0460 -161648.2034 -109433.9158 298.7652 -104.2397 -72.6973 763525.9937 11.1534 11.0774 PRESSURE: 2040200 64.3444 23.8649 -224.246 23.865 153.21 99.6796 -224.244 99.6786 -205.926 GPRESSURE: 2040200 173.593 94.3824 -140.939 29.4856 150.226 29.1435 -296.114 9.7394 -229.707 PRESSAVG: 2040200 -16.9089 26.7385 -8.63183 26.7385 14.0965 -11.7221 -8.6318 -11.7221 -18.6712 GPRESSAVG: 2040200 -15.9989 25.5886 -8.85541 26.9789 14.0429 -10.535 -10.9423 -14.2439 -19.6719 TIMING: 2040200 CPU: 6434.35, 0.00317206/step Wall: 6434.35, 0.00317206/step, 2.60796 hours remaining, 239.554688 MB of memory in use. ENERGY: 2040200 4089.7132 20539.1887 14513.4635 244.9788 -203872.1851 2706.2824 0.0000 0.0000 52007.1999 -109771.3586 298.8861 -161778.5586 -109413.0693 298.9363 3.8760 31.3705 760985.3301 -7.1612 -7.2093 LDB: ============= START OF LOAD BALANCING ============== 6446.75 LDB: ============== END OF LOAD BALANCING =============== 6446.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6446.76 LDB: ============= START OF LOAD BALANCING ============== 6447.08 LDB: Largest compute 7034 load 0.033386 is 17.1% of average load 0.195793 LDB: Average compute 0.004449 is 2.3% of average load 0.195793 LDB: TIME 6447.08 LOAD: AVG 0.195793 MAX 0.22027 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.84 MB LDB: TIME 6447.08 LOAD: AVG 0.195793 MAX 0.22027 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.91 MB LDB: TIME 6447.08 LOAD: AVG 0.195793 MAX 0.217918 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.91 MB LDB: ============== END OF LOAD BALANCING =============== 6447.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6447.09 PRESSURE: 2040400 98.7841 -11.9076 96.1542 -11.9075 -35.517 -46.2439 96.1548 -46.2427 340.115 GPRESSURE: 2040400 122.549 -104.457 67.8824 171.89 56.4078 -67.727 255.37 -161.055 310.889 PRESSAVG: 2040400 35.8319 10.9232 -2.61128 10.9232 -71.3329 -39.7556 -2.61125 -39.7556 -13.2557 GPRESSAVG: 2040400 35.1805 12.7779 -3.78616 9.90383 -71.4788 -40.5929 0.763241 -39.078 -12.604 TIMING: 2040400 CPU: 6435, 0.00324397/step Wall: 6435, 0.00324397/step, 2.6669 hours remaining, 239.632812 MB of memory in use. ENERGY: 2040400 4025.8261 20489.8506 14505.3943 237.3791 -203989.7580 2854.5749 0.0000 0.0000 52178.2240 -109698.5090 299.8690 -161876.7330 -109341.4094 299.6636 134.4607 163.2821 762360.3811 -16.2522 -16.3008 PRESSURE: 2040600 -161.122 -53.3183 128.18 -53.3177 141.745 -13.4341 128.181 -13.4347 34.6111 GPRESSURE: 2040600 -123.736 7.27252 95.6442 -112.501 124.634 -87.7955 293.06 -127.694 93.0278 PRESSAVG: 2040600 34.2414 34.5803 39.2781 34.5803 -77.0888 16.8908 39.2781 16.8909 9.12068 GPRESSAVG: 2040600 34.9247 33.3841 40.3758 34.2919 -76.1407 17.8224 38.0532 15.8796 7.7372 TIMING: 2040600 CPU: 6435.64, 0.00317822/step Wall: 6435.64, 0.00317822/step, 2.61268 hours remaining, 239.699219 MB of memory in use. ENERGY: 2040600 4014.2837 20685.1239 14516.9481 249.7941 -203509.7705 2639.8224 0.0000 0.0000 52019.7663 -109384.0319 298.9583 -161403.7982 -109028.0083 299.6089 5.0779 31.3085 761722.2969 -11.2422 -11.1596 PRESSURE: 2040800 223.182 -69.0458 59.9762 -69.0459 -426.828 3.78844 59.9761 3.78657 -324.599 GPRESSURE: 2040800 160.295 -78.2301 63.6447 -103.616 -338.622 7.27979 96.8831 95.3094 -270.626 PRESSAVG: 2040800 99.3208 -53.295 13.5847 -53.295 -41.7383 -38.3314 13.5847 -38.3314 -2.053 GPRESSAVG: 2040800 98.5106 -52.7082 12.9376 -52.1259 -43.1894 -38.8652 14.3105 -36.4248 0.0963449 TIMING: 2040800 CPU: 6436.27, 0.00314968/step Wall: 6436.27, 0.00314968/step, 2.58904 hours remaining, 239.699219 MB of memory in use. ENERGY: 2040800 4000.2087 20407.5046 14459.5680 254.8971 -203253.6062 2523.4005 0.0000 0.0000 51974.3681 -109633.6592 298.6974 -161608.0273 -109271.8641 299.4069 -176.0816 -149.6507 762277.4296 18.5098 18.4725 PRESSURE: 2041000 -43.7827 35.3867 -150.943 35.3859 41.8264 228.269 -150.943 228.268 -161.7 GPRESSURE: 2041000 -36.459 55.9009 -206.459 2.799 39.3865 244.054 -33.6509 256.409 -67.752 PRESSAVG: 2041000 27.655 -11.2168 5.69705 -11.2168 -45.5135 17.0251 5.697 17.025 14.0518 GPRESSAVG: 2041000 28.1192 -9.39773 3.49877 -13.1019 -43.678 19.1665 4.64873 15.9966 12.1537 TIMING: 2041000 CPU: 6436.9, 0.00316864/step Wall: 6436.9, 0.00316864/step, 2.60445 hours remaining, 239.699219 MB of memory in use. ENERGY: 2041000 3990.2073 20470.7391 14474.9344 262.2413 -203108.9815 2287.0771 0.0000 0.0000 52084.2737 -109539.5086 299.3290 -161623.7823 -109181.8167 298.9863 -54.5521 -21.6082 761984.8461 -1.2689 -1.1350 PRESSURE: 2041200 27.0865 23.2332 107.099 23.2341 -395.054 6.02795 107.099 6.02701 -17.4738 GPRESSURE: 2041200 128.856 -84.3253 102.776 -47.5959 -341.735 -20.4677 86.5139 64.3576 -98.1288 PRESSAVG: 2041200 -8.60212 14.0695 -2.98342 14.0695 16.9085 22.2845 -2.98345 22.2844 -14.8909 GPRESSAVG: 2041200 -8.23638 13.7402 -0.592429 15.1005 15.5283 21.1203 -3.70385 23.0418 -13.9013 TIMING: 2041200 CPU: 6437.53, 0.00315174/step Wall: 6437.53, 0.00315174/step, 2.59038 hours remaining, 239.699219 MB of memory in use. ENERGY: 2041200 4016.8750 20306.8354 14501.4604 250.0294 -203846.8377 2956.5375 0.0000 0.0000 51943.2316 -109871.8683 298.5185 -161815.1000 -109506.1372 298.9506 -128.4804 -103.6693 761800.1622 -2.1949 -2.2031 PRESSURE: 2041400 -139.273 8.97652 -78.7692 8.97647 -274.176 158.892 -78.77 158.893 -208.453 GPRESSURE: 2041400 -54.0103 -5.93635 -83.4085 99.9905 -282.493 174.701 -83.9545 131.74 -183.49 PRESSAVG: 2041400 27.5533 16.4055 9.95159 16.4055 -49.3554 -5.55174 9.95161 -5.55173 -9.69249 GPRESSAVG: 2041400 26.4794 14.1834 10.451 18.8235 -47.6152 -5.06296 9.10453 -5.63786 -10.3477 TIMING: 2041400 CPU: 6438.17, 0.00316789/step Wall: 6438.17, 0.00316789/step, 2.60348 hours remaining, 239.699219 MB of memory in use. ENERGY: 2041400 4070.3183 20556.0515 14400.5549 219.6343 -203401.6286 2511.6958 0.0000 0.0000 51840.9956 -109802.3781 297.9309 -161643.3737 -109453.1401 298.2111 -207.3006 -173.3311 763545.9652 -10.4982 -10.4945 PRESSURE: 2041600 -350.153 -4.56432 -6.26848 -4.56341 -253.482 -121.52 -6.26895 -121.52 -183.789 GPRESSURE: 2041600 -267.501 16.7389 -12.1297 -57.2499 -261.764 -124.358 -8.63536 -82.4778 -176.654 PRESSAVG: 2041600 52.2245 15.3235 -31.7776 15.3234 23.5551 -28.5897 -31.7775 -28.5897 -14.0287 GPRESSAVG: 2041600 53.0069 15.679 -31.9231 14.5869 22.1073 -29.7274 -32.3611 -29.0578 -13.7668 TIMING: 2041600 CPU: 6438.8, 0.00318314/step Wall: 6438.8, 0.00318314/step, 2.61583 hours remaining, 239.699219 MB of memory in use. ENERGY: 2041600 4038.4668 20478.7303 14523.1432 252.9992 -203633.5249 2548.6264 0.0000 0.0000 51922.8854 -109868.6736 298.4015 -161791.5591 -109514.5628 298.3688 -262.4746 -235.3065 760845.4679 20.5836 20.4491 PRESSURE: 2041800 -321.648 -78.154 -39.924 -78.1542 -145.296 -155.548 -39.9241 -155.549 -421.599 GPRESSURE: 2041800 -425.263 -60.6249 -9.40522 -49.4933 -6.09977 -126.972 -100.678 -193.73 -360.923 PRESSAVG: 2041800 -22.3808 10.2479 -41.4136 10.2478 36.5211 -34.8315 -41.4136 -34.8315 4.54244 GPRESSAVG: 2041800 -23.1779 13.7057 -41.3462 7.41614 37.9894 -34.4879 -41.1751 -34.8153 4.35082 TIMING: 2041800 CPU: 6439.44, 0.00316591/step Wall: 6439.44, 0.00316591/step, 2.6015 hours remaining, 239.699219 MB of memory in use. ENERGY: 2041800 3929.5685 20623.7510 14417.2119 259.2473 -203298.0757 2256.0677 0.0000 0.0000 51914.3383 -109897.8910 298.3524 -161812.2293 -109537.8184 298.5436 -296.1809 -264.0953 761161.8193 6.2276 6.3874 PRESSURE: 2042000 0.231166 -106.405 176.624 -106.407 -215.137 86.8002 176.625 86.8014 264.441 GPRESSURE: 2042000 43.8142 -82.8464 111.083 -123.451 -207.513 108.236 218.394 118.849 268.07 PRESSAVG: 2042000 -23.5267 -41.0245 16.362 -41.0244 -28.4779 48.1395 16.3621 48.1396 2.85142 GPRESSAVG: 2042000 -23.5338 -42.9759 17.4566 -38.5461 -28.5074 46.7343 14.1742 47.7626 2.25062 TIMING: 2042000 CPU: 6440.07, 0.00316843/step Wall: 6440.07, 0.00316843/step, 2.60339 hours remaining, 239.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2042000 3962.3818 20427.4804 14418.1200 230.0899 -203471.8175 2666.7202 0.0000 0.0000 52003.4549 -109763.5703 298.8646 -161767.0253 -109388.3173 298.3751 16.5115 34.7906 760358.3562 -16.3844 -16.5969 PRESSURE: 2042200 -199.039 -67.7969 -182.725 -67.7965 223.843 101.481 -182.725 101.482 -317.199 GPRESSURE: 2042200 -12.0764 8.38623 -162.286 -38.4458 166.902 67.2497 -128.722 107.86 -373.452 PRESSAVG: 2042200 13.5114 -49.397 -44.3686 -49.3969 -29.2281 -15.3095 -44.3685 -15.3094 -25.174 GPRESSAVG: 2042200 13.6912 -49.9181 -45.7104 -46.7602 -29.4535 -13.6555 -40.8398 -13.0963 -25.2216 TIMING: 2042200 CPU: 6440.7, 0.00315277/step Wall: 6440.7, 0.00315277/step, 2.59035 hours remaining, 239.699219 MB of memory in use. ENERGY: 2042200 4034.5219 20380.1899 14553.5810 260.9541 -203250.0034 2349.8292 0.0000 0.0000 51928.5919 -109742.3354 298.4343 -161670.9273 -109384.4309 298.4681 -97.4652 -72.8757 758749.7434 -13.6302 -13.6613 PRESSURE: 2042400 -72.5533 43.9494 61.271 43.9494 -165.304 101.03 61.2712 101.03 -23.169 GPRESSURE: 2042400 -51.6852 49.273 120.162 3.46585 -87.404 67.4564 -76.8693 -94.2004 -44.463 PRESSAVG: 2042400 -15.961 -18.4678 -37.9413 -18.4679 24.6971 7.44352 -37.9414 7.44348 4.30135 GPRESSAVG: 2042400 -14.9874 -19.5158 -38.0206 -20.4412 24.0665 8.55411 -37.8499 6.44181 4.50899 TIMING: 2042400 CPU: 6441.33, 0.00314864/step Wall: 6441.33, 0.00314864/step, 2.58678 hours remaining, 239.699219 MB of memory in use. ENERGY: 2042400 3958.2745 20564.4063 14544.5071 258.5500 -203627.6584 2366.9606 0.0000 0.0000 52252.9039 -109682.0560 300.2982 -161934.9599 -109317.4360 298.9777 -87.0087 -61.1841 758729.6840 4.3458 4.5293 PRESSURE: 2042600 38.4266 250.504 193.866 250.504 -158.906 305.876 193.867 305.876 -168.309 GPRESSURE: 2042600 58.0108 256.098 178.088 211.829 -65.0072 305.781 237.6 290.361 -178.369 PRESSAVG: 2042600 1.82828 -32.6655 3.10131 -32.6655 -27.0588 14.3525 3.10135 14.3525 17.5369 GPRESSAVG: 2042600 2.87834 -31.3613 2.20913 -33.2777 -26.3158 14.5299 2.84034 13.6635 15.9906 TIMING: 2042600 CPU: 6441.96, 0.00314942/step Wall: 6441.96, 0.00314941/step, 2.58724 hours remaining, 239.699219 MB of memory in use. ENERGY: 2042600 3899.5686 20516.4711 14573.9598 241.0599 -202938.9713 2451.8632 0.0000 0.0000 51529.9272 -109726.1214 296.1432 -161256.0487 -109374.7014 299.1167 -96.2626 -61.7884 759761.2254 -2.5645 -2.4823 PRESSURE: 2042800 -163.833 -94.3445 9.5038 -94.3439 -371.657 -70.2454 9.50432 -70.2458 -244.72 GPRESSURE: 2042800 -171.732 -70.6369 -111.698 -22.6456 -296.898 -13.8519 34.9837 -87.6479 -207.91 PRESSAVG: 2042800 71.5543 -53.7076 24.5719 -53.7075 -44.7526 17.4871 24.5719 17.4871 9.67228 GPRESSAVG: 2042800 69.5401 -52.8714 26.4899 -54.943 -43.9137 15.0593 24.3346 16.1119 10.7802 TIMING: 2042800 CPU: 6442.59, 0.003149/step Wall: 6442.59, 0.00314901/step, 2.58673 hours remaining, 239.699219 MB of memory in use. ENERGY: 2042800 3985.6653 20584.3096 14556.6695 250.1937 -203016.8045 2285.8015 0.0000 0.0000 52018.4201 -109335.7448 298.9506 -161354.1649 -108978.6971 299.7927 -260.0698 -225.5132 760616.7377 12.1580 12.1356 PRESSURE: 2043000 15.0576 -112.891 198.234 -112.891 330.63 -74.8287 198.236 -74.8278 240.516 GPRESSURE: 2043000 121.001 -94.3874 305.082 -204.392 373.504 9.59366 -74.2512 -5.77833 169.23 PRESSAVG: 2043000 49.6444 -49.7858 6.83281 -49.7857 -40.8209 -12.0168 6.83278 -12.0168 -1.1189 GPRESSAVG: 2043000 50.8243 -49.0515 6.44075 -50.3821 -41.696 -11.0316 5.42776 -13.0128 -1.8 TIMING: 2043000 CPU: 6443.23, 0.00318768/step Wall: 6443.23, 0.00318768/step, 2.61832 hours remaining, 239.699219 MB of memory in use. ENERGY: 2043000 3913.8894 20652.8494 14481.8591 252.2014 -203451.2389 2584.0001 0.0000 0.0000 52191.7701 -109374.6694 299.9468 -161566.4395 -109024.9005 300.2194 195.4012 221.2451 759161.4449 2.5682 2.4428 PRESSURE: 2043200 10.6203 27.4901 138.453 27.4904 171.747 -57.632 138.452 -57.632 -120.052 GPRESSURE: 2043200 141.276 49.111 172.129 -18.9371 160.509 -80.3335 123.487 -3.39237 -139.814 PRESSAVG: 2043200 22.9618 7.18593 19.1438 7.18589 -20.8769 -74.3519 19.1438 -74.3519 -39.9751 GPRESSAVG: 2043200 22.5361 4.79352 18.1802 9.47009 -20.2927 -75.2324 19.5658 -72.4058 -40.1907 TIMING: 2043200 CPU: 6443.86, 0.00316771/step Wall: 6443.86, 0.00316771/step, 2.60175 hours remaining, 239.699219 MB of memory in use. ENERGY: 2043200 4008.3195 20556.2542 14515.2639 261.2266 -203216.0443 2370.3183 0.0000 0.0000 52249.2286 -109255.4332 300.2770 -161504.6617 -108902.3842 300.0110 20.7718 53.9903 758498.3467 -12.6301 -12.6491 PRESSURE: 2043400 -16.8186 -84.828 -52.9084 -84.8283 92.2949 -261.494 -52.9087 -261.495 355.235 GPRESSURE: 2043400 107.77 -42.9399 19.0349 -63.044 86.3061 -286.694 -67.1439 -242.402 327.701 PRESSAVG: 2043400 54.2757 2.97591 -2.96278 2.9759 -8.0065 -30.3213 -2.96278 -30.3214 0.362885 GPRESSAVG: 2043400 54.7753 3.64411 -2.12928 2.74584 -8.84661 -30.7426 -4.0343 -30.1149 0.911722 TIMING: 2043400 CPU: 6444.5, 0.00319739/step Wall: 6444.5, 0.00319739/step, 2.62595 hours remaining, 239.699219 MB of memory in use. ENERGY: 2043400 4066.0717 20541.5693 14500.3956 236.8997 -203229.0553 2300.7870 0.0000 0.0000 52212.6718 -109370.6602 300.0669 -161583.3319 -109000.2723 300.5085 143.5706 173.9260 758389.2197 15.5440 15.6135 PRESSURE: 2043600 286.941 163.276 231.048 163.276 -276.984 151.386 231.048 151.387 -177.615 GPRESSURE: 2043600 334.016 157.788 334.479 177.544 -293.709 115.135 328.436 147.856 -118.084 PRESSAVG: 2043600 -3.31531 -23.011 21.5417 -23.011 -36.5443 -18.9201 21.5416 -18.9202 -7.27756 GPRESSAVG: 2043600 -3.81531 -21.9894 21.9054 -24.4097 -36.152 -17.9083 24.0766 -19.8548 -6.86795 TIMING: 2043600 CPU: 6445.14, 0.00319336/step Wall: 6445.14, 0.00319336/step, 2.62246 hours remaining, 239.699219 MB of memory in use. ENERGY: 2043600 3941.3389 20713.2247 14514.3671 261.4399 -203087.1487 2349.3384 0.0000 0.0000 52048.6740 -109258.7657 299.1244 -161307.4397 -108903.6092 300.4217 -55.8858 -25.9259 760281.3198 -15.7124 -15.6118 PRESSURE: 2043800 -12.9806 19.753 276.236 19.7532 -205.35 -145.24 276.236 -145.24 157.742 GPRESSURE: 2043800 -39.2252 79.1893 241.549 41.11 -170.607 -93.2097 381.364 -104.253 239.508 PRESSAVG: 2043800 0.647701 -12.373 83.4102 -12.373 -21.2152 -10.1574 83.4102 -10.1574 19.1451 GPRESSAVG: 2043800 0.308524 -11.6116 83.4652 -12.4773 -21.5183 -11.761 81.5173 -9.36105 19.6355 TIMING: 2043800 CPU: 6445.77, 0.00316787/step Wall: 6445.77, 0.00316787/step, 2.60135 hours remaining, 239.699219 MB of memory in use. ENERGY: 2043800 4054.2274 20534.6530 14458.3342 243.8490 -203406.5864 2720.8777 0.0000 0.0000 51894.2634 -109500.3816 298.2370 -161394.6451 -109149.9539 300.2221 -20.1960 9.8920 760340.0670 -0.4741 -0.5248 PRESSURE: 2044000 -164.967 39.1171 -41.0293 39.1168 -233.384 -61.7727 -41.0295 -61.7723 263.949 GPRESSURE: 2044000 -186.174 53.2102 -161.64 -14.743 -163.885 -87.7971 6.04682 -39.3373 286.299 PRESSAVG: 2044000 -8.00257 35.3478 35.2115 35.3478 21.5396 -19.6098 35.2115 -19.6098 7.60997 GPRESSAVG: 2044000 -7.14564 33.5333 34.2626 36.0905 21.4917 -17.7037 36.0221 -20.5219 6.45952 TIMING: 2044000 CPU: 6446.4, 0.00315161/step Wall: 6446.4, 0.00315161/step, 2.58782 hours remaining, 239.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2044000 4054.6888 20550.5094 14448.7669 232.5834 -203553.9688 2610.2016 0.0000 0.0000 52135.1394 -109522.0794 299.6214 -161657.2187 -109170.1456 299.7549 -44.8006 -21.2532 760327.6472 7.0490 6.9352 PRESSURE: 2044200 185.04 38.5054 55.1223 38.5044 34.441 -170.237 55.1222 -170.236 -126.738 GPRESSURE: 2044200 286.782 49.6665 94.8637 28.071 29.9768 -95.2007 -84.9115 -150.019 -119.358 PRESSAVG: 2044200 45.5372 23.1384 13.4227 23.1385 -85.4994 -42.738 13.4228 -42.738 2.9261 GPRESSAVG: 2044200 44.9564 23.3522 13.0193 24.364 -85.1567 -42.5417 13.1644 -43.9207 3.15719 TIMING: 2044200 CPU: 6447.03, 0.0031424/step Wall: 6447.03, 0.0031424/step, 2.58008 hours remaining, 239.699219 MB of memory in use. ENERGY: 2044200 3912.9562 20448.4048 14476.9895 226.3329 -203533.0746 2815.0925 0.0000 0.0000 52093.5251 -109559.7736 299.3822 -161653.2986 -109199.3747 299.2134 30.9144 65.8002 760948.1449 -12.3454 -12.3477 LDB: ============= START OF LOAD BALANCING ============== 6459.43 LDB: ============== END OF LOAD BALANCING =============== 6459.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6459.43 LDB: ============= START OF LOAD BALANCING ============== 6459.75 LDB: Largest compute 7025 load 0.033126 is 16.9% of average load 0.195791 LDB: Average compute 0.004451 is 2.3% of average load 0.195791 LDB: TIME 6459.75 LOAD: AVG 0.195791 MAX 0.216259 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 6459.75 LOAD: AVG 0.195791 MAX 0.216259 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.148 MB LDB: TIME 6459.75 LOAD: AVG 0.195791 MAX 0.216259 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.148 MB LDB: ============== END OF LOAD BALANCING =============== 6459.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6459.76 PRESSURE: 2044400 109.906 43.6368 -148.064 43.6364 -4.30913 -116.932 -148.064 -116.933 -345.884 GPRESSURE: 2044400 235.933 -41.3399 -159.099 -1.26578 -0.989134 -53.6174 -73.4392 -87.7869 -394.811 PRESSAVG: 2044400 109.706 -21.6092 -35.0369 -21.6093 -68.0053 -44.9881 -35.0369 -44.9881 -23.2276 GPRESSAVG: 2044400 110.299 -22.3488 -33.6023 -23.4931 -67.9092 -45.2614 -35.7629 -42.1794 -23.8403 TIMING: 2044400 CPU: 6447.68, 0.00322638/step Wall: 6447.68, 0.00322638/step, 2.64886 hours remaining, 238.406250 MB of memory in use. ENERGY: 2044400 4000.1641 20495.6263 14412.9041 254.0198 -203445.5856 2763.3444 0.0000 0.0000 52191.0899 -109328.4370 299.9429 -161519.5268 -108966.6784 299.7417 -80.0959 -53.2890 760473.6743 6.1576 6.1833 PRESSURE: 2044600 42.766 -35.9339 -0.3238 -35.9339 15.3038 -55.3652 -0.32414 -55.3637 -148.34 GPRESSURE: 2044600 92.7818 54.7111 -46.2014 97.9098 -21.3582 -136.941 40.1766 -92.2424 -73.8452 PRESSAVG: 2044600 44.0707 -23.0226 14.9297 -23.0225 -36.222 -21.5117 14.9297 -21.5117 11.5164 GPRESSAVG: 2044600 44.8362 -22.5279 14.5908 -21.9584 -36.8182 -23.142 17.4057 -22.1309 11.0551 TIMING: 2044600 CPU: 6448.31, 0.00318681/step Wall: 6448.31, 0.00318681/step, 2.61619 hours remaining, 238.406250 MB of memory in use. ENERGY: 2044600 4022.1926 20660.1195 14523.5711 265.6087 -203053.8405 2504.6114 0.0000 0.0000 51839.1366 -109238.6007 297.9202 -161077.7372 -108874.3669 300.2362 -30.0900 -0.8072 761687.4807 6.4550 6.3577 PRESSURE: 2044800 511.531 171.813 -202.386 171.813 178.742 -16.6009 -202.386 -16.5995 18.3153 GPRESSURE: 2044800 414.872 59.8524 -146.035 193.083 355.748 -43.1453 -193.893 -33.9398 20.5011 PRESSAVG: 2044800 49.9734 -12.6645 40.3585 -12.6645 -17.2892 5.08176 40.3585 5.08178 -6.51461 GPRESSAVG: 2044800 48.3607 -12.4568 42.4034 -13.314 -16.248 5.93836 37.2987 3.60479 -5.83937 TIMING: 2044800 CPU: 6448.95, 0.00320033/step Wall: 6448.95, 0.00320033/step, 2.62711 hours remaining, 238.406250 MB of memory in use. ENERGY: 2044800 4008.0823 20428.8094 14469.2755 249.5994 -203636.9463 2568.4628 0.0000 0.0000 52247.5007 -109665.2163 300.2671 -161912.7170 -109298.4257 299.9825 236.1961 263.7069 758917.8734 8.7232 8.7577 PRESSURE: 2045000 129.363 -68.7594 52.5512 -68.7596 -224.806 -148.265 52.5514 -148.265 -284.669 GPRESSURE: 2045000 104.661 -47.7976 33.2063 7.37631 -170.644 -143.267 48.8415 -27.6468 -239.709 PRESSAVG: 2045000 69.335 8.94845 -25.8469 8.94847 -78.9834 -26.5298 -25.8469 -26.5299 38.0973 GPRESSAVG: 2045000 69.1953 8.08639 -28.8245 10.2578 -79.9084 -26.1765 -23.0258 -25.3885 38.6352 TIMING: 2045000 CPU: 6449.59, 0.00319015/step Wall: 6449.59, 0.00319014/step, 2.61858 hours remaining, 238.406250 MB of memory in use. ENERGY: 2045000 3939.8505 20501.5684 14490.7916 254.6436 -203503.0229 2415.5833 0.0000 0.0000 52109.4009 -109791.1846 299.4734 -161900.5855 -109427.8763 299.6880 -126.7042 -101.8972 760576.9814 9.4829 9.3074 PRESSURE: 2045200 100.382 -65.4398 197.98 -65.4409 -34.2114 -153.471 197.98 -153.471 -429.173 GPRESSURE: 2045200 118.555 -34.7318 199.507 -91.9122 60.6008 -70.194 111.185 -197.516 -462.739 PRESSAVG: 2045200 31.8587 57.5418 72.9557 57.5418 -31.8688 -17.4042 72.9558 -17.4041 -23.219 GPRESSAVG: 2045200 32.3001 59.1361 72.9987 58.1169 -32.0842 -17.4862 72.3769 -18.2149 -23.5215 TIMING: 2045200 CPU: 6450.23, 0.00317772/step Wall: 6450.23, 0.00317773/step, 2.60821 hours remaining, 238.406250 MB of memory in use. ENERGY: 2045200 4007.2391 20442.9779 14469.4192 255.3187 -203753.3626 2592.9302 0.0000 0.0000 52141.7023 -109843.7751 299.6591 -161985.4775 -109487.6722 299.1721 -121.0009 -94.5278 760396.8767 -7.7430 -7.7685 PRESSURE: 2045400 -418.296 -20.9457 -213.304 -20.9455 -108.962 11.7575 -213.304 11.7573 -498.045 GPRESSURE: 2045400 -314.378 37.4072 -93.8413 2.39701 -186.309 23.0126 -175.874 -98.4895 -440.268 PRESSAVG: 2045400 -39.319 15.1289 -10.4798 15.1289 34.5446 -55.9506 -10.4798 -55.9507 8.46314 GPRESSAVG: 2045400 -39.1754 16.2796 -10.9826 13.6272 34.5523 -55.6311 -11.4587 -56.1684 8.74407 TIMING: 2045400 CPU: 6450.86, 0.00318305/step Wall: 6450.86, 0.00318305/step, 2.6124 hours remaining, 238.406250 MB of memory in use. ENERGY: 2045400 3981.4332 20644.3973 14510.4303 225.2430 -203870.3446 2635.3315 0.0000 0.0000 52030.0917 -109843.4176 299.0177 -161873.5093 -109483.4357 298.7925 -341.7679 -313.6517 760171.1870 1.2296 1.3737 PRESSURE: 2045600 -122.819 -52.2753 -1.59149 -52.2752 -45.0692 -80.0843 -1.59137 -80.0839 -45.6285 GPRESSURE: 2045600 -16.1388 -93.6355 39.1589 -83.9043 -33.5699 -58.9994 82.5757 1.59929 -71.9933 PRESSAVG: 2045600 -45.9844 -18.3943 43.7624 -18.3942 61.4398 -27.9078 43.7623 -27.9079 -14.1766 GPRESSAVG: 2045600 -45.8376 -19.0838 44.7063 -18.8657 60.2997 -29.0095 44.3421 -25.5971 -13.1813 TIMING: 2045600 CPU: 6451.5, 0.00317806/step Wall: 6451.5, 0.00317806/step, 2.60813 hours remaining, 238.406250 MB of memory in use. ENERGY: 2045600 3988.0184 20546.7871 14521.8412 231.7730 -203142.0087 2291.4857 0.0000 0.0000 52186.3634 -109375.7399 299.9157 -161562.1033 -109014.3229 299.1974 -71.1723 -40.5673 761742.5544 0.4263 0.4269 PRESSURE: 2045800 -37.1073 -4.86226 -166.801 -4.86256 311.453 -140.333 -166.801 -140.331 272.889 GPRESSURE: 2045800 94.9556 12.6679 -105.242 25.7325 294.259 -114.17 -79.2077 -134.932 240.488 PRESSAVG: 2045800 24.3172 -9.86669 -38.9445 -9.86665 5.41985 -36.4841 -38.9445 -36.4842 -16.1478 GPRESSAVG: 2045800 24.9047 -10.4772 -37.0721 -9.33762 6.24244 -35.6677 -38.6886 -40.0392 -17.6827 TIMING: 2045800 CPU: 6452.13, 0.00315797/step Wall: 6452.13, 0.00315797/step, 2.59147 hours remaining, 238.406250 MB of memory in use. ENERGY: 2045800 3904.7744 20465.3413 14512.2144 231.2441 -203538.6761 2675.3514 0.0000 0.0000 52245.8074 -109503.9431 300.2574 -161749.7505 -109137.2145 299.7873 182.4115 209.9008 759872.2016 4.5298 4.4881 PRESSURE: 2046000 274.603 -39.6843 111.632 -39.6849 199.406 238.826 111.632 238.826 -92.8727 GPRESSURE: 2046000 226.796 -3.97839 99.4018 -82.2011 285.49 119.11 124.377 282.694 -45.8946 PRESSAVG: 2046000 -49.1241 40.7975 6.30591 40.7975 4.67199 -18.0047 6.30589 -18.0046 -0.883539 GPRESSAVG: 2046000 -50.3941 39.7297 6.03234 41.7933 3.77842 -18.6745 5.18531 -15.4625 0.586657 TIMING: 2046000 CPU: 6452.76, 0.00316617/step Wall: 6452.76, 0.00316617/step, 2.59802 hours remaining, 238.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2046000 3968.4972 20441.6914 14497.8442 223.9160 -203529.5643 2637.9439 0.0000 0.0000 52172.2880 -109587.3836 299.8349 -161759.6716 -109229.3147 299.1589 127.0456 155.4637 760145.9650 -15.1119 -15.3430 PRESSURE: 2046200 162.329 187.107 129.248 187.107 -187.357 -50.7132 129.248 -50.7131 313.58 GPRESSURE: 2046200 168.998 132.647 105.889 163.958 -74.2309 24.2201 -45.0632 -104.292 258.519 PRESSAVG: 2046200 -6.54008 15.0578 17.4239 15.0578 44.8824 1.66532 17.4239 1.66546 21.9388 GPRESSAVG: 2046200 -5.90888 14.4095 15.3336 15.3348 45.3815 1.1244 19.003 0.986434 21.0197 TIMING: 2046200 CPU: 6453.4, 0.00318661/step Wall: 6453.4, 0.00318661/step, 2.61461 hours remaining, 238.406250 MB of memory in use. ENERGY: 2046200 3914.8430 20425.9081 14506.2596 235.2870 -203259.7270 2416.1636 0.0000 0.0000 52200.5060 -109560.7596 299.9970 -161761.2657 -109198.4482 299.0567 96.1843 117.7622 759561.4004 20.0937 20.1641 PRESSURE: 2046400 36.651 -77.3308 -32.8806 -77.3309 54.5099 -1.21421 -32.881 -1.21444 435.86 GPRESSURE: 2046400 112.617 -136.979 -0.751063 71.6468 75.1479 28.0216 -26.9818 -59.2584 409.497 PRESSAVG: 2046400 26.3463 15.5407 -19.6306 15.5407 0.206907 13.4509 -19.6306 13.451 -24.6758 GPRESSAVG: 2046400 25.3832 15.289 -17.3852 15.5007 1.92159 12.6595 -23.0544 12.945 -25.4942 TIMING: 2046400 CPU: 6454.04, 0.00317896/step Wall: 6454.04, 0.00317896/step, 2.60816 hours remaining, 238.406250 MB of memory in use. ENERGY: 2046400 3922.6264 20489.0498 14498.9499 249.8970 -203248.5192 2521.0247 0.0000 0.0000 51948.4255 -109618.5460 298.5483 -161566.9714 -109254.7037 298.7416 175.6735 199.0876 760627.1113 0.6258 0.6035 PRESSURE: 2046600 102.186 56.5791 -235.159 56.5793 -22.799 -159.909 -235.16 -159.909 -61.5232 GPRESSURE: 2046600 34.3559 226.002 -159.716 -58.9213 10.3551 -112.299 -156.266 -158.226 59.3287 PRESSAVG: 2046600 28.5127 43.6972 -10.1198 43.6972 -12.4258 -5.33869 -10.1198 -5.33871 -5.04964 GPRESSAVG: 2046600 28.4152 43.6887 -8.82663 43.9323 -13.2873 -3.40668 -10.371 -5.369 -4.32484 TIMING: 2046600 CPU: 6454.67, 0.00316242/step Wall: 6454.67, 0.00316242/step, 2.59441 hours remaining, 238.406250 MB of memory in use. ENERGY: 2046600 3918.7852 20436.4763 14477.7015 246.1049 -203662.6140 2769.4175 0.0000 0.0000 52293.8351 -109520.2934 300.5334 -161814.1285 -109155.0117 299.3214 5.9546 34.6799 761453.4353 3.6791 3.6010 PRESSURE: 2046800 -214.038 -58.6397 -98.5453 -58.6397 -79.2983 110.734 -98.5451 110.735 -134.299 GPRESSURE: 2046800 -133.234 -152.48 -75.9171 -170.291 -37.1797 99.0606 -150.198 -22.9317 -143.21 PRESSAVG: 2046800 -11.612 36.5906 -5.423 36.5906 -12.4229 27.607 -5.42302 27.6069 -7.27323 GPRESSAVG: 2046800 -11.4052 36.4633 -7.86945 36.5153 -12.6362 26.5015 -2.84439 27.0732 -7.06813 TIMING: 2046800 CPU: 6455.31, 0.00317495/step Wall: 6455.31, 0.00317495/step, 2.60452 hours remaining, 238.406250 MB of memory in use. ENERGY: 2046800 3945.2512 20474.2914 14448.9051 238.8273 -203039.4672 2469.8704 0.0000 0.0000 52008.4992 -109453.8225 298.8936 -161462.3217 -109095.8616 299.2692 -142.5452 -104.5413 760443.8157 -10.4360 -10.3698 PRESSURE: 2047000 18.3937 16.0825 -87.8812 16.0836 75.3399 14.6168 -87.881 14.6175 217.169 GPRESSURE: 2047000 107.302 40.4687 -89.3032 15.76 14.3272 149.135 -143.899 -82.8865 272.489 PRESSAVG: 2047000 36.2945 -13.6579 21.8707 -13.6579 -39.093 33.6239 21.8706 33.6239 13.5122 GPRESSAVG: 2047000 35.8834 -13.2311 21.1635 -13.1104 -39.9525 34.2063 23.1957 34.8443 14.4029 TIMING: 2047000 CPU: 6455.95, 0.00320099/step Wall: 6455.95, 0.00320099/step, 2.6257 hours remaining, 238.406250 MB of memory in use. ENERGY: 2047000 3939.5130 20528.4426 14473.2937 250.7396 -203129.6710 2534.9233 0.0000 0.0000 52078.5117 -109324.2471 299.2959 -161402.7588 -108961.5705 299.6779 103.6343 131.3729 760376.9926 3.5712 3.4446 PRESSURE: 2047200 -454.011 -63.5635 -46.2611 -63.5639 -32.0466 -251.168 -46.2599 -251.168 -148.406 GPRESSURE: 2047200 -397.391 151.329 -76.216 35.3891 33.7359 -206.959 15.8529 -69.2244 -202.404 PRESSAVG: 2047200 26.3114 5.83051 16.7785 5.83048 -17.4887 -16.4226 16.7785 -16.4226 19.7455 GPRESSAVG: 2047200 27.805 5.56427 17.1273 4.61771 -17.4555 -18.5218 15.2693 -17.1164 18.0934 TIMING: 2047200 CPU: 6456.59, 0.00321623/step Wall: 6456.59, 0.00321623/step, 2.63802 hours remaining, 238.406250 MB of memory in use. ENERGY: 2047200 3908.4064 20525.3182 14457.8246 254.1179 -202719.6236 2131.3005 0.0000 0.0000 51854.7079 -109587.9481 298.0097 -161442.6560 -109222.4995 299.2967 -211.4877 -188.6865 761039.3971 9.5227 9.4810 PRESSURE: 2047400 171.564 -118.695 -38.6605 -118.695 302.854 262.448 -38.6609 262.448 370.509 GPRESSURE: 2047400 214.698 -53.0602 -51.7981 -137.103 318.719 292.917 -109.062 174.337 401.879 PRESSAVG: 2047400 27.4499 16.9186 16.7058 16.9186 -18.5713 14.1035 16.7058 14.1035 15.3914 GPRESSAVG: 2047400 26.6574 17.2224 17.6357 20.1661 -18.1958 15.5799 16.9456 14.4879 15.8066 TIMING: 2047400 CPU: 6457.22, 0.00318007/step Wall: 6457.22, 0.00318007/step, 2.60819 hours remaining, 238.406250 MB of memory in use. ENERGY: 2047400 4013.8240 20543.5474 14369.0315 217.3521 -203403.6822 2621.1011 0.0000 0.0000 52013.1661 -109625.6599 298.9204 -161638.8260 -109265.8738 299.1379 281.6425 311.7654 759402.1938 8.0900 8.0894 PRESSURE: 2047600 8.69238 192.474 -53.9541 192.474 -54.4684 -9.86726 -53.9537 -9.86677 -54.6719 GPRESSURE: 2047600 -18.6637 108.199 -13.9984 107.494 28.2386 6.70184 -58.9153 27.5424 -9.78623 PRESSAVG: 2047600 -5.38814 45.1595 7.81988 45.1594 0.0343153 41.2201 7.81977 41.2201 14.0372 GPRESSAVG: 2047600 -4.82014 43.8284 8.03165 43.6891 -0.285594 40.969 4.91411 41.6934 13.6601 TIMING: 2047600 CPU: 6457.86, 0.00316929/step Wall: 6457.86, 0.00316929/step, 2.59917 hours remaining, 238.406250 MB of memory in use. ENERGY: 2047600 4031.6526 20291.9055 14445.1097 253.2447 -203425.7615 2596.0302 0.0000 0.0000 52081.6960 -109726.1228 299.3142 -161807.8187 -109363.4490 299.2861 -33.4826 -0.0705 759429.5963 2.8945 2.8515 PRESSURE: 2047800 -320.991 -67.2809 62.1077 -67.2805 -231.793 -140.904 62.1078 -140.904 7.83565 GPRESSURE: 2047800 -224.403 -157.889 34.2365 -36.2894 -139.073 -77.8958 178.143 -146.854 -89.5674 PRESSAVG: 2047800 54.8104 -3.95738 -8.83966 -3.95737 -114.991 5.63737 -8.83965 5.63737 9.88149 GPRESSAVG: 2047800 53.8849 -2.39459 -8.70359 -4.98411 -115.135 5.55523 -5.50871 3.98346 11.0017 TIMING: 2047800 CPU: 6458.49, 0.00316438/step Wall: 6458.49, 0.00316438/step, 2.59497 hours remaining, 238.406250 MB of memory in use. ENERGY: 2047800 4030.7862 20393.4731 14492.1849 238.4020 -203090.8309 2264.1018 0.0000 0.0000 51976.1942 -109695.6887 298.7079 -161671.8829 -109332.8727 298.4265 -181.6493 -151.0144 760346.5235 -16.7664 -16.7493 PRESSURE: 2048000 24.2763 -191.388 185.655 -191.388 73.3369 -104.483 185.655 -104.484 101.544 GPRESSURE: 2048000 111.848 -35.1462 136.644 -179.445 54.3002 -79.0198 79.937 -76.6222 116.772 PRESSAVG: 2048000 50.6089 -6.94318 4.16002 -6.94325 -51.2539 15.321 4.16005 15.3209 13.9638 GPRESSAVG: 2048000 51.9366 -7.52394 3.77606 -6.38882 -50.9972 16.4346 3.70628 17.1492 11.6904 TIMING: 2048000 CPU: 6459.12, 0.00316388/step Wall: 6459.12, 0.00316389/step, 2.59439 hours remaining, 238.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2048000 3882.0567 20435.1214 14482.0129 232.6720 -203651.6850 2635.5077 0.0000 0.0000 52315.2361 -109669.0782 300.6564 -161984.3143 -109293.5724 298.8058 66.3857 94.3066 758831.0233 4.4396 4.2099 PRESSURE: 2048200 -61.7623 56.2401 118.556 56.2402 100.011 -132.541 118.556 -132.541 72.7407 GPRESSURE: 2048200 3.73701 -19.9118 137.927 2.00446 -3.49032 -77.3754 96.7512 -170.189 204.152 PRESSAVG: 2048200 19.5115 -30.8292 15.0706 -30.8292 5.52299 -4.00655 15.0706 -4.00658 -5.37677 GPRESSAVG: 2048200 17.8507 -29.5708 16.0539 -32.5095 5.09928 -4.78038 14.4314 -4.16878 -3.47974 TIMING: 2048200 CPU: 6459.76, 0.00317917/step Wall: 6459.76, 0.00317917/step, 2.60674 hours remaining, 238.406250 MB of memory in use. ENERGY: 2048200 4016.2613 20578.8460 14456.8620 245.0459 -203665.2057 2431.1527 0.0000 0.0000 52351.5519 -109585.4859 300.8651 -161937.0378 -109228.7258 299.2364 36.9965 68.1330 758684.2656 6.5526 6.4901 LDB: ============= START OF LOAD BALANCING ============== 6472.16 LDB: ============== END OF LOAD BALANCING =============== 6472.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6472.16 LDB: ============= START OF LOAD BALANCING ============== 6472.48 LDB: Largest compute 7025 load 0.034781 is 17.7% of average load 0.195996 LDB: Average compute 0.004415 is 2.3% of average load 0.195996 LDB: TIME 6472.48 LOAD: AVG 0.195996 MAX 0.217489 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.977 MB LDB: TIME 6472.48 LOAD: AVG 0.195996 MAX 0.217489 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 6472.48 LOAD: AVG 0.195996 MAX 0.217489 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 6472.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6472.49 PRESSURE: 2048400 40.4735 -41.1663 -239.7 -41.1665 238.282 -8.51908 -239.701 -8.51963 107.444 GPRESSURE: 2048400 36.6889 -78.2146 -210.604 -123.543 242.386 41.1251 -331.768 -21.6101 199.362 PRESSAVG: 2048400 -14.5554 26.4218 -53.1907 26.4217 -18.0704 -12.4611 -53.1908 -12.4612 20.5631 GPRESSAVG: 2048400 -15.1282 24.9928 -54.6077 27.9196 -17.5728 -11.6035 -52.726 -13.7813 20.3029 TIMING: 2048400 CPU: 6460.4, 0.00322342/step Wall: 6460.4, 0.00322342/step, 2.64285 hours remaining, 238.976562 MB of memory in use. ENERGY: 2048400 4024.3411 20382.9364 14465.5681 236.3323 -203524.7131 2721.0789 0.0000 0.0000 51996.4330 -109698.0231 298.8242 -161694.4561 -109336.6732 299.2375 128.7330 159.4789 759846.6129 -4.0209 -4.1327 PRESSURE: 2048600 -115.461 340.059 119.257 340.06 31.4621 -298.725 119.256 -298.726 -302.925 GPRESSURE: 2048600 -153.389 235.238 184.573 292.435 31.0807 -275.388 252.908 -238.3 -164.521 PRESSAVG: 2048600 -2.21197 13.3399 9.44071 13.3399 60.6853 -57.2949 9.44068 -57.2949 -25.7899 GPRESSAVG: 2048600 -1.08673 13.1093 10.353 13.1621 60.0234 -57.8904 8.45883 -55.0951 -26.1629 TIMING: 2048600 CPU: 6461.03, 0.00313942/step Wall: 6461.03, 0.00313942/step, 2.5738 hours remaining, 239.179688 MB of memory in use. ENERGY: 2048600 4069.8252 20520.4312 14417.6391 254.4881 -203733.2366 2637.0787 0.0000 0.0000 52232.3980 -109601.3763 300.1803 -161833.7743 -109235.3155 299.3790 -128.9745 -95.6098 761044.0448 10.8945 10.9246 PRESSURE: 2048800 45.1088 -179.155 229.577 -179.154 -97.6492 237.288 229.577 237.288 -92.4553 GPRESSURE: 2048800 108.991 -85.5741 247.11 -160.385 -85.7093 286.749 190.776 171.039 -75.8645 PRESSAVG: 2048800 -25.7251 34.9634 51.2565 34.9633 7.39375 -20.7923 51.2565 -20.7923 -9.54361 GPRESSAVG: 2048800 -26.6132 35.0723 50.9928 36.215 7.76933 -22.2996 51.7529 -20.5011 -8.89334 TIMING: 2048800 CPU: 6461.66, 0.00314747/step Wall: 6461.66, 0.00314747/step, 2.58023 hours remaining, 239.179688 MB of memory in use. ENERGY: 2048800 4003.1707 20612.6950 14481.7585 231.6064 -203712.9590 2774.3016 0.0000 0.0000 52147.7988 -109461.6280 299.6941 -161609.4268 -109116.2459 298.9736 -48.3319 -17.5277 759869.7078 -9.2917 -9.2457 PRESSURE: 2049000 -114.563 94.318 187.121 94.3172 -21.6728 -118.637 187.12 -118.637 -71.735 GPRESSURE: 2049000 -30.0214 171.659 146.083 58.4409 -26.1041 -72.9453 224.937 -172.864 -74.5063 PRESSAVG: 2049000 37.3005 12.2727 11.9072 12.2727 -32.0734 -10.9835 11.9072 -10.9834 13.3669 GPRESSAVG: 2049000 36.6865 12.6082 13.0862 11.7831 -30.956 -8.46165 11.3693 -14.393 12.9563 TIMING: 2049000 CPU: 6462.3, 0.00317072/step Wall: 6462.3, 0.00317072/step, 2.59911 hours remaining, 239.179688 MB of memory in use. ENERGY: 2049000 3983.5705 20490.0578 14441.9768 245.5488 -203367.9585 2544.2837 0.0000 0.0000 52142.1432 -109520.3777 299.6616 -161662.5209 -109143.8192 299.4711 -69.3235 -43.5439 760001.4574 6.1980 6.2290 PRESSURE: 2049200 73.0276 11.1562 11.0832 11.1558 202.763 147.211 11.0836 147.209 -212.639 GPRESSURE: 2049200 178.537 55.2505 54.6646 6.16015 210.169 187.831 2.65287 129.442 -225.575 PRESSAVG: 2049200 54.4011 -4.46312 9.86954 -4.46315 -29.9228 -21.6197 9.86959 -21.6197 2.69736 GPRESSAVG: 2049200 55.6383 -4.78174 8.13293 -6.01447 -30.7125 -23.1807 10.0123 -21.2026 2.80819 TIMING: 2049200 CPU: 6462.93, 0.00316973/step Wall: 6462.93, 0.00316973/step, 2.59812 hours remaining, 239.179688 MB of memory in use. ENERGY: 2049200 3972.4800 20427.2201 14456.2571 258.0415 -203362.7274 2729.3487 0.0000 0.0000 51942.8280 -109576.5520 298.5161 -161519.3800 -109207.0824 298.9511 21.0506 54.3770 761072.0910 9.0586 9.2447 PRESSURE: 2049400 506.817 33.6005 -93.698 33.5999 411.062 135.493 -93.6993 135.493 290.101 GPRESSURE: 2049400 528.289 104.593 -154.764 91.6869 444.495 34.3152 -43.0034 188.157 316.063 PRESSAVG: 2049400 57.2544 2.30547 -4.96117 2.30541 -49.7124 -0.234392 -4.96125 -0.234356 -20.5918 GPRESSAVG: 2049400 55.9717 3.26274 -4.17569 3.07156 -48.4609 0.0274741 -3.05773 2.15289 -20.3242 TIMING: 2049400 CPU: 6463.57, 0.00318511/step Wall: 6463.57, 0.00318511/step, 2.61055 hours remaining, 239.179688 MB of memory in use. ENERGY: 2049400 3990.8890 20352.6823 14406.0068 229.2113 -203428.9333 2903.1136 0.0000 0.0000 51792.0215 -109755.0089 297.6495 -161547.0304 -109396.4273 298.7357 402.6600 429.6156 759571.2156 -4.3500 -4.2711 PRESSURE: 2049600 -12.7703 60.0672 124.754 60.0668 -108.365 66.3192 124.753 66.3191 191.224 GPRESSURE: 2049600 53.6418 -29.755 49.5576 6.04761 -53.4942 14.316 117.006 -150.583 166.104 PRESSAVG: 2049600 59.8473 32.5533 -18.2436 32.5533 11.0178 31.7743 -18.2436 31.7743 -1.02685 GPRESSAVG: 2049600 60.8231 30.9045 -17.7422 32.6548 11.1269 31.6333 -20.0201 31.6575 -1.96076 TIMING: 2049600 CPU: 6464.2, 0.00317075/step Wall: 6464.2, 0.00317075/step, 2.59861 hours remaining, 239.179688 MB of memory in use. ENERGY: 2049600 4062.6985 20175.1742 14501.0843 253.5228 -203446.2029 2584.8533 0.0000 0.0000 52182.1833 -109686.6864 299.8917 -161868.8697 -109321.3504 298.6473 23.3628 55.4173 759887.6545 23.2794 23.3297 PRESSURE: 2049800 -44.2582 59.3787 110.829 59.3791 225.791 87.6288 110.829 87.6291 -7.07121 GPRESSURE: 2049800 36.567 187.606 158.325 52.694 294.976 118.819 67.1057 111.888 -85.073 PRESSAVG: 2049800 38.2861 -24.1327 -0.35209 -24.1327 -30.3757 1.03899 -0.35206 1.0389 -16.4116 GPRESSAVG: 2049800 37.9488 -21.8817 -0.654063 -23.9841 -29.6677 2.26843 1.00654 -1.09314 -16.3735 TIMING: 2049800 CPU: 6464.84, 0.00317208/step Wall: 6464.84, 0.00317208/step, 2.59952 hours remaining, 239.179688 MB of memory in use. ENERGY: 2049800 4017.5521 20490.5744 14420.8546 243.0890 -203548.7374 2764.1670 0.0000 0.0000 51982.5026 -109629.9975 298.7442 -161612.5002 -109275.6911 299.2050 58.1538 82.1568 759177.9690 -2.8337 -2.6975 PRESSURE: 2050000 122.249 -61.4346 123.938 -61.4343 -175.761 -168.123 123.939 -168.124 -58.2627 GPRESSURE: 2050000 150.452 -123.642 154.506 -12.7546 -212.368 -97.5484 106.523 -131.913 48.4895 PRESSAVG: 2050000 -32.8321 -34.8512 25.972 -34.8512 35.6333 34.162 25.9719 34.162 -16.563 GPRESSAVG: 2050000 -32.225 -36.3704 26.5578 -34.2569 34.6235 33.2952 26.8382 34.3147 -15.8516 TIMING: 2050000 CPU: 6465.47, 0.00317926/step Wall: 6465.47, 0.00317926/step, 2.60523 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2050000 4000.8924 20532.7491 14461.7917 234.1008 -203354.8861 2578.5795 0.0000 0.0000 51722.4447 -109824.3279 297.2496 -161546.7726 -109478.9206 298.8224 -37.2580 -4.4756 760475.2565 -4.5873 -4.4844 PRESSURE: 2050200 -1.79937 85.8307 76.2361 85.8301 69.3081 112.382 76.2364 112.382 95.2476 GPRESSURE: 2050200 -66.7915 141.645 -29.8916 -131.084 238.173 -2.60904 194.36 111.642 85.8843 PRESSAVG: 2050200 3.19367 -10.5025 59.5659 -10.5025 -24.359 21.6954 59.5659 21.6954 9.1251 GPRESSAVG: 2050200 3.34604 -11.5777 58.2898 -11.1756 -24.0861 22.2344 57.4446 22.3105 8.57177 TIMING: 2050200 CPU: 6466.11, 0.00316967/step Wall: 6466.11, 0.00316967/step, 2.59719 hours remaining, 239.179688 MB of memory in use. ENERGY: 2050200 3985.6978 20652.6213 14388.9125 229.7792 -203622.3219 2638.1012 0.0000 0.0000 52104.7142 -109622.4957 299.4465 -161727.2099 -109259.9931 299.0167 54.2521 85.7553 760103.8849 -4.0134 -4.0561 PRESSURE: 2050400 144.185 127.653 114.221 127.653 115.064 39.532 114.221 39.5321 -318.875 GPRESSURE: 2050400 201.54 119.51 45.1149 45.0775 42.4214 46.0798 12.1855 37.2726 -241.471 PRESSAVG: 2050400 -45.2716 -27.4192 57.555 -27.4192 15.9648 48.374 57.555 48.374 7.28929 GPRESSAVG: 2050400 -44.3955 -26.3969 57.4767 -29.0166 14.755 47.7367 56.6483 48.9798 7.751 TIMING: 2050400 CPU: 6466.74, 0.00316445/step Wall: 6466.74, 0.00316445/step, 2.59274 hours remaining, 239.179688 MB of memory in use. ENERGY: 2050400 3951.3575 20519.8057 14421.8743 245.2284 -203166.8939 2413.9906 0.0000 0.0000 51814.2793 -109800.3580 297.7774 -161614.6374 -109428.9813 298.8855 -19.8752 0.8299 760002.9648 -7.3392 -7.2965 PRESSURE: 2050600 -43.5733 -75.3186 159.264 -75.3183 -67.1106 140.662 159.263 140.662 130.955 GPRESSURE: 2050600 -95.7681 -38.6212 88.1054 -96.3715 103.751 122.97 241.272 134.6 96.5144 PRESSAVG: 2050600 20.649 17.3737 14.6834 17.3736 -17.7627 -34.2762 14.6834 -34.2762 11.7576 GPRESSAVG: 2050600 19.8985 17.5915 14.4953 18.8718 -15.5419 -33.7149 16.7338 -33.9536 9.94833 TIMING: 2050600 CPU: 6467.37, 0.00315723/step Wall: 6467.37, 0.00315723/step, 2.58665 hours remaining, 239.179688 MB of memory in use. ENERGY: 2050600 3987.9854 20463.1653 14544.3239 244.0635 -203516.2783 2546.8760 0.0000 0.0000 52217.1396 -109512.7245 300.0926 -161729.8641 -109159.9185 299.3948 6.7571 34.8326 759663.6679 4.8813 4.7683 PRESSURE: 2050800 -225.082 10.0278 142.449 10.0273 -300.921 -33.9493 142.45 -33.949 -265.546 GPRESSURE: 2050800 -176.616 -9.14776 114.49 48.1779 -329.144 -141.526 158.233 107.326 -188.178 PRESSAVG: 2050800 9.43641 -14.2862 26.2373 -14.2862 9.34299 41.8896 26.2373 41.8896 4.82525 GPRESSAVG: 2050800 9.87711 -13.1233 27.2562 -14.0392 7.96465 41.0644 26.8998 41.0073 6.13111 TIMING: 2050800 CPU: 6468.01, 0.0031787/step Wall: 6468.01, 0.0031787/step, 2.60406 hours remaining, 239.179688 MB of memory in use. ENERGY: 2050800 4066.0521 20500.5383 14481.9568 234.0710 -203057.7079 2175.3399 0.0000 0.0000 52011.0907 -109588.6591 298.9085 -161599.7498 -109233.4579 299.3869 -263.8496 -231.3128 760134.3793 7.8682 7.9910 PRESSURE: 2051000 124.253 0.820786 257.613 0.821372 242.946 -12.8633 257.613 -12.8633 517.306 GPRESSURE: 2051000 155.92 -90.1932 304.491 51.6165 261.276 -9.27607 92.0949 1.09351 542.727 PRESSAVG: 2051000 -17.8854 -55.6432 1.4027 -55.6432 12.9854 30.0841 1.40263 30.0842 -1.96792 GPRESSAVG: 2051000 -18.2116 -56.2009 0.157402 -56.7303 13.3999 30.5813 2.02114 30.1498 -2.37466 TIMING: 2051000 CPU: 6468.64, 0.00318516/step Wall: 6468.64, 0.00318516/step, 2.60918 hours remaining, 239.179688 MB of memory in use. ENERGY: 2051000 3952.3903 20575.0428 14427.2444 248.8118 -203671.1534 2841.7308 0.0000 0.0000 52056.7912 -109569.1421 299.1711 -161625.9333 -109209.0447 299.5029 294.8350 319.9742 761195.6287 -2.2893 -2.3955 PRESSURE: 2051200 -437.543 -51.0572 169.078 -51.0572 -102.167 15.0612 169.078 15.0605 -110.623 GPRESSURE: 2051200 -359.063 -49.8649 151.081 -70.1713 -106.407 -57.0067 193.561 177.856 -114.031 PRESSAVG: 2051200 -52.4377 -47.7504 9.66719 -47.7504 34.1105 -32.8511 9.66714 -32.8512 -7.74935 GPRESSAVG: 2051200 -54.2237 -49.3719 10.9167 -46.4706 33.7449 -32.7095 7.69207 -32.7119 -6.28604 TIMING: 2051200 CPU: 6469.28, 0.00318472/step Wall: 6469.28, 0.00318472/step, 2.60864 hours remaining, 239.179688 MB of memory in use. ENERGY: 2051200 3974.8534 20547.9308 14524.2721 268.9977 -203075.6454 2279.8511 0.0000 0.0000 51994.2788 -109485.4616 298.8118 -161479.7404 -109123.0210 299.7795 -216.7775 -193.1670 760715.7945 -8.6922 -8.9216 PRESSURE: 2051400 17.9575 -64.6469 -118.459 -64.6481 -161.219 -298.274 -118.46 -298.275 46.6757 GPRESSURE: 2051400 68.9428 -125.634 -101.134 -17.1384 -157.03 -282.756 -30.5984 -116.555 51.4394 PRESSAVG: 2051400 7.93704 -17.3165 27.9124 -17.3166 2.67817 -53.3992 27.9124 -53.3993 22.1437 GPRESSAVG: 2051400 9.32294 -15.396 30.0881 -17.4141 2.86236 -52.0221 25.8483 -53.5513 20.7137 TIMING: 2051400 CPU: 6469.92, 0.00318939/step Wall: 6469.92, 0.00318939/step, 2.61229 hours remaining, 239.179688 MB of memory in use. ENERGY: 2051400 3970.7581 20608.3986 14385.1095 242.9554 -203304.0146 2379.4353 0.0000 0.0000 52277.3092 -109440.0485 300.4384 -161717.3578 -109079.4027 299.3526 -32.1952 -12.2159 760819.1302 10.9196 10.9663 PRESSURE: 2051600 108.745 -189.573 -160.091 -189.572 48.4297 113.559 -160.092 113.559 -18.741 GPRESSURE: 2051600 76.9616 -199.341 -143.652 -117.839 247.786 95.9893 -103.906 147.57 -77.5384 PRESSAVG: 2051600 53.5006 -56.9667 18.1276 -56.9667 -36.7597 -52.1276 18.1277 -52.1276 13.017 GPRESSAVG: 2051600 52.7701 -56.7049 16.1574 -56.7284 -36.4371 -52.9019 21.2078 -52.4816 13.1357 TIMING: 2051600 CPU: 6470.56, 0.00319394/step Wall: 6470.56, 0.00319394/step, 2.61584 hours remaining, 239.179688 MB of memory in use. ENERGY: 2051600 3885.7147 20464.2047 14533.4887 247.8023 -203521.5627 2721.7273 0.0000 0.0000 52222.6486 -109445.9763 300.1243 -161668.6250 -109077.2714 299.3133 46.1447 82.4029 760444.0277 9.9193 9.8229 PRESSURE: 2051800 346.857 76.6209 88.1268 76.621 126.397 216.768 88.1268 216.767 -79.3754 GPRESSURE: 2051800 403.554 19.0619 117.776 70.3895 171.127 232.971 -18.3109 188.385 -97.0314 PRESSAVG: 2051800 49.9865 -58.0335 32.3911 -58.0335 -12.361 25.3349 32.3911 25.3349 3.14087 GPRESSAVG: 2051800 51.559 -60.1569 32.4171 -59.4941 -13.5308 25.2738 29.9473 26.0439 3.03969 TIMING: 2051800 CPU: 6471.19, 0.00316131/step Wall: 6471.19, 0.00316131/step, 2.58893 hours remaining, 239.179688 MB of memory in use. ENERGY: 2051800 3953.8183 20533.8471 14403.4153 226.6220 -203042.5012 2574.6255 0.0000 0.0000 52045.6898 -109304.4833 299.1073 -161350.1731 -108944.1346 299.6203 131.2930 159.2166 760889.0331 13.5888 13.6893 PRESSURE: 2052000 77.8748 229.385 100.211 229.385 500.307 171.311 100.21 171.31 -10.1536 GPRESSURE: 2052000 94.7697 262.931 86.6337 148.688 522.746 66.6531 160.489 105.441 48.1013 PRESSAVG: 2052000 51.5522 -23.1597 49.3384 -23.1597 -15.9514 -19.0606 49.3383 -19.0606 -7.88858 GPRESSAVG: 2052000 50.2482 -22.2154 49.5406 -23.1758 -15.3466 -20.2652 50.2341 -18.727 -7.29154 TIMING: 2052000 CPU: 6471.82, 0.00316005/step Wall: 6471.82, 0.00316005/step, 2.58773 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2052000 3951.6564 20413.3681 14410.8331 259.1860 -203271.7925 2452.5485 0.0000 0.0000 52291.6194 -109492.5810 300.5207 -161784.2004 -109137.2680 299.5542 189.3427 221.8724 759212.1773 9.2374 9.2034 PRESSURE: 2052200 -89.2443 33.0868 -67.5157 33.0868 -123.378 53.0491 -67.5157 53.0496 314.143 GPRESSURE: 2052200 -12.8489 103.975 -98.4052 -1.33815 -57.1179 65.2659 -87.6709 113.201 254.846 PRESSAVG: 2052200 -8.8852 -28.0508 63.8011 -28.0508 10.3485 13.755 63.8011 13.755 15.7573 GPRESSAVG: 2052200 -9.20987 -27.8077 63.8325 -27.0847 10.215 14.8687 66.2584 14.3016 16.1244 TIMING: 2052200 CPU: 6472.46, 0.00317707/step Wall: 6472.46, 0.00317707/step, 2.60149 hours remaining, 239.179688 MB of memory in use. ENERGY: 2052200 3930.2169 20395.2421 14457.5316 237.1580 -202647.1910 2061.6009 0.0000 0.0000 52186.7693 -109378.6722 299.9181 -161565.4415 -109006.7744 299.1430 33.8401 61.6262 761423.8026 5.7402 5.7098 LDB: ============= START OF LOAD BALANCING ============== 6484.86 LDB: ============== END OF LOAD BALANCING =============== 6484.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6484.86 LDB: ============= START OF LOAD BALANCING ============== 6485.17 LDB: Largest compute 7034 load 0.035323 is 18.0% of average load 0.195936 LDB: Average compute 0.004421 is 2.3% of average load 0.195936 LDB: TIME 6485.17 LOAD: AVG 0.195936 MAX 0.221044 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 6485.17 LOAD: AVG 0.195936 MAX 0.221044 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: TIME 6485.17 LOAD: AVG 0.195936 MAX 0.216313 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: ============== END OF LOAD BALANCING =============== 6485.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6485.18 PRESSURE: 2052400 161.394 47.143 -137.472 47.1421 -199.478 74.0886 -137.472 74.089 128.426 GPRESSURE: 2052400 130.008 36.8814 -54.236 13.1322 -91.8348 63.9684 -107.062 32.6697 135.603 PRESSAVG: 2052400 -8.04555 -54.9798 26.7999 -54.9797 -5.08372 -31.0316 26.7999 -31.0316 -3.39673 GPRESSAVG: 2052400 -6.67628 -53.5152 26.4846 -54.9627 -5.35005 -34.4935 25.8255 -31.486 -4.36373 TIMING: 2052400 CPU: 6473.1, 0.00321702/step Wall: 6473.1, 0.00321702/step, 2.63403 hours remaining, 238.921875 MB of memory in use. ENERGY: 2052400 3920.1938 20443.5324 14469.5144 273.7877 -203210.3083 2484.1103 0.0000 0.0000 52117.3536 -109501.8162 299.5191 -161619.1698 -109144.0232 299.5309 30.1143 57.9255 759992.4825 -5.5087 -5.4634 PRESSURE: 2052600 -205.413 209.327 74.6598 209.326 -272.984 254.674 74.6589 254.675 12.1485 GPRESSURE: 2052600 -113.19 159.001 137.706 118.775 -326.292 252.764 -4.3595 396.515 63.684 PRESSAVG: 2052600 -24.333 1.59814 51.7798 1.59814 7.82972 -67.2634 51.7798 -67.2633 7.65143 GPRESSAVG: 2052600 -24.46 2.51062 52.2342 -1.08426 7.60401 -65.1391 51.3667 -70.0035 7.70813 TIMING: 2052600 CPU: 6473.73, 0.00313525/step Wall: 6473.73, 0.00313525/step, 2.5669 hours remaining, 238.921875 MB of memory in use. ENERGY: 2052600 4005.0409 20533.5695 14452.7484 238.5501 -202987.5499 2352.6728 0.0000 0.0000 51920.7448 -109484.2234 298.3892 -161404.9682 -109130.0435 299.8465 -155.4162 -125.2661 762614.7855 -2.9506 -3.0493 PRESSURE: 2052800 -39.4141 104.701 -187.004 104.701 -453.957 -50.9103 -187.004 -50.9105 -12.8585 GPRESSURE: 2052800 -44.8396 177.126 -167.89 202.979 -394.23 -116.449 -86.1591 -109.163 26.6916 PRESSAVG: 2052800 6.90218 21.109 -3.31784 21.1089 -19.8085 -26.6852 -3.31794 -26.6852 4.70949 GPRESSAVG: 2052800 6.14252 19.1941 -3.80848 22.7351 -19.923 -28.3816 -2.12803 -24.166 5.81697 TIMING: 2052800 CPU: 6474.35, 0.00313297/step Wall: 6474.35, 0.00313297/step, 2.56486 hours remaining, 238.921875 MB of memory in use. ENERGY: 2052800 4044.3201 20764.6814 14366.9398 242.2898 -203218.1480 2228.6496 0.0000 0.0000 52042.7069 -109528.5605 299.0902 -161571.2674 -109171.9744 299.5600 -168.7433 -137.4593 761127.6293 -2.7323 -2.6545 PRESSURE: 2053000 22.2075 45.6705 -7.87571 45.6708 162.377 29.6661 -7.87577 29.6661 -44.6715 GPRESSURE: 2053000 27.4189 19.6554 -35.7558 91.1188 213.66 18.8186 139.352 48.9718 -53.1192 PRESSAVG: 2053000 -25.3251 12.6588 40.6965 12.6588 -13.7798 -22.0661 40.6964 -22.0662 10.9463 GPRESSAVG: 2053000 -25.4551 12.7824 42.479 12.9201 -12.7389 -19.6214 38.529 -23.8122 9.6016 TIMING: 2053000 CPU: 6474.99, 0.00317289/step Wall: 6474.99, 0.00317289/step, 2.59736 hours remaining, 238.921875 MB of memory in use. ENERGY: 2053000 4129.9581 20775.3232 14451.8268 249.5191 -203484.7846 2439.8465 0.0000 0.0000 51959.9142 -109478.3967 298.6143 -161438.3109 -109115.1251 299.3639 46.6377 62.6533 760235.7222 -9.3862 -9.5308 PRESSURE: 2053200 162.477 -3.46067 -12.1065 -3.46054 -183.147 210.746 -12.1054 210.747 -93.6091 GPRESSURE: 2053200 192.771 -0.736685 -74.2777 64.5922 -141.389 149.343 -180.105 182.867 -74.6494 PRESSAVG: 2053200 -0.19215 33.7892 47.736 33.7892 -2.70863 -82.7765 47.736 -82.7764 -2.52777 GPRESSAVG: 2053200 0.540428 33.6581 47.5482 34.4637 -4.08079 -83.022 49.03 -82.6498 -1.82404 TIMING: 2053200 CPU: 6475.62, 0.0031845/step Wall: 6475.62, 0.0031845/step, 2.60669 hours remaining, 238.921875 MB of memory in use. ENERGY: 2053200 4007.0275 20504.8447 14454.2794 247.1033 -203218.2031 2456.3692 0.0000 0.0000 52055.6275 -109492.9515 299.1644 -161548.5790 -109123.5017 299.7853 -38.0933 -7.7560 760528.7947 -1.8095 -1.7881 PRESSURE: 2053400 153.938 222.146 -113.339 222.147 234.855 -344.342 -113.339 -344.342 221.075 GPRESSURE: 2053400 259.955 151.892 -96.4085 316.281 165.894 -351.832 -63.0623 -284.704 253.979 PRESSAVG: 2053400 -9.23712 -7.3452 -11.9703 -7.34519 -0.563075 11.5183 -11.9703 11.5183 8.81105 GPRESSAVG: 2053400 -10.723 -7.32218 -13.4662 -7.78049 0.938653 11.732 -12.5093 11.8729 9.16453 TIMING: 2053400 CPU: 6476.26, 0.00315417/step Wall: 6476.26, 0.00315417/step, 2.58169 hours remaining, 238.921875 MB of memory in use. ENERGY: 2053400 3990.7179 20512.3750 14380.0056 252.2474 -203375.6032 2814.0719 0.0000 0.0000 52021.6954 -109404.4898 298.9694 -161426.1853 -109042.3491 299.2475 203.2893 226.6093 759640.7232 -0.3297 -0.2066 PRESSURE: 2053600 -53.329 -199.06 163.779 -199.061 248.288 -76.8164 163.78 -76.8163 10.8817 GPRESSURE: 2053600 84.9977 -185.584 193.979 -133.748 145.318 -112.388 229.725 -109.654 60.1237 PRESSAVG: 2053600 -10.3718 -16.4534 59.7166 -16.4535 16.172 -29.7528 59.7166 -29.7529 -1.00052 GPRESSAVG: 2053600 -9.19099 -16.5704 60.4264 -17.1463 15.2519 -30.2116 59.54 -30.5378 -1.35827 TIMING: 2053600 CPU: 6476.88, 0.00314182/step Wall: 6476.88, 0.00314181/step, 2.5714 hours remaining, 238.921875 MB of memory in use. ENERGY: 2053600 3931.3923 20477.8886 14453.9453 253.8873 -203206.2119 2561.1859 0.0000 0.0000 52173.9630 -109353.9495 299.8445 -161527.9125 -108992.4750 299.7112 68.6137 96.8130 758049.9600 1.5999 1.5675 PRESSURE: 2053800 -398.938 -45.8429 -284.897 -45.8436 -283.75 -27.6811 -284.898 -27.6805 -4.81781 GPRESSURE: 2053800 -359.858 -30.1002 -252.246 68.7822 -280.211 -36.1302 -186.77 5.65484 57.2804 PRESSAVG: 2053800 -15.5754 43.3872 -1.77337 43.3872 2.81755 -16.6158 -1.77331 -16.6158 14.2044 GPRESSAVG: 2053800 -15.0995 43.6742 -1.09115 44.4931 2.96703 -16.8446 0.321877 -15.3515 14.4232 TIMING: 2053800 CPU: 6477.51, 0.00311868/step Wall: 6477.51, 0.00311868/step, 2.55229 hours remaining, 238.921875 MB of memory in use. ENERGY: 2053800 4083.6386 20393.5072 14523.2727 252.3594 -202808.8470 2064.8023 0.0000 0.0000 52275.3877 -109215.8791 300.4274 -161491.2668 -108850.4322 299.9441 -229.1684 -194.2630 762153.8385 0.4822 0.7636 PRESSURE: 2054000 277.239 -44.5954 -41.3333 -44.5949 66.8688 -11.4039 -41.3337 -11.4027 -37.7817 GPRESSURE: 2054000 346.97 -235.126 -56.679 -125.858 98.7834 -41.071 -37.2345 -138.48 -57.082 PRESSAVG: 2054000 3.4301 -18.6978 -16.0868 -18.6978 -9.46224 -76.4596 -16.0868 -76.4596 -0.697987 GPRESSAVG: 2054000 3.91048 -20.9004 -16.2862 -19.2859 -9.66318 -75.7973 -17.6858 -77.248 -1.52718 TIMING: 2054000 CPU: 6478.14, 0.00314123/step Wall: 6478.14, 0.00314123/step, 2.57057 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2054000 3977.4381 20538.8630 14469.5352 230.1264 -203491.2025 2324.3233 0.0000 0.0000 52709.2843 -109241.6323 302.9210 -161950.9166 -108872.2691 300.6254 102.1088 129.5571 761057.1213 -2.2434 -2.4266 PRESSURE: 2054200 56.5805 -34.5486 213.102 -34.5479 -291.064 102.573 213.1 102.574 -239.304 GPRESSURE: 2054200 40.4011 -18.457 228.35 25.0491 -179.438 205.291 136.743 91.0793 -253.165 PRESSAVG: 2054200 51.4353 4.30567 64.7006 4.30567 5.89102 -35.9975 64.7006 -35.9975 -4.55082 GPRESSAVG: 2054200 51.162 3.84942 62.0881 4.84852 6.54249 -37.0761 65.5488 -35.4611 -4.37869 TIMING: 2054200 CPU: 6478.76, 0.00313901/step Wall: 6478.76, 0.00313901/step, 2.56859 hours remaining, 238.921875 MB of memory in use. ENERGY: 2054200 3961.2906 20587.9423 14503.3591 255.1786 -203717.2413 2842.9202 0.0000 0.0000 52219.7361 -109346.8143 300.1075 -161566.5504 -108970.1147 300.5745 -157.9293 -130.7341 759700.9405 17.5918 17.7753 PRESSURE: 2054400 18.0661 -57.453 -233.759 -57.4531 -398.989 -122.028 -233.759 -122.028 369.657 GPRESSURE: 2054400 106.884 -95.825 -177.314 47.7501 -381.592 -57.2758 -289.256 -116.069 351.056 PRESSAVG: 2054400 13.8724 -0.480318 0.44998 -0.480241 -47.3101 -57.1398 0.450038 -57.1398 33.0221 GPRESSAVG: 2054400 14.4432 4.6614 3.04554 -0.00834257 -48.0042 -56.5874 -0.654373 -56.3541 33.0904 TIMING: 2054400 CPU: 6479.39, 0.00312696/step Wall: 6479.39, 0.00312696/step, 2.55855 hours remaining, 238.921875 MB of memory in use. ENERGY: 2054400 4035.0255 20428.7294 14482.3147 239.6176 -203329.2622 2664.2523 0.0000 0.0000 52006.6147 -109472.7080 298.8827 -161479.3227 -109107.3321 299.6697 -3.7554 25.4491 761966.1013 -0.1386 -0.1569 PRESSURE: 2054600 -253.385 178.26 64.6358 178.26 -197.106 -50.1785 64.6357 -50.1784 -289.609 GPRESSURE: 2054600 -164.107 78.0245 74.8352 145.482 -217.527 -78.5168 48.4216 -107.034 -276.974 PRESSAVG: 2054600 -0.328762 33.2549 50.1601 33.2549 -4.35449 -49.8171 50.1601 -49.8171 8.50649 GPRESSAVG: 2054600 -0.909088 31.8088 49.4655 32.7642 -4.32339 -48.812 52.4249 -52.0336 9.00757 TIMING: 2054600 CPU: 6480.02, 0.00313816/step Wall: 6480.02, 0.00313816/step, 2.56754 hours remaining, 238.921875 MB of memory in use. ENERGY: 2054600 4007.2287 20748.0879 14396.0338 228.9640 -203156.2204 2231.8484 0.0000 0.0000 52072.3103 -109471.7474 299.2603 -161544.0577 -109116.1124 299.4512 -246.6997 -219.5363 762639.4715 1.2744 1.2584 PRESSURE: 2054800 -38.5722 50.1402 -34.7301 50.1406 -247.301 71.3948 -34.7301 71.3957 -369.277 GPRESSURE: 2054800 -98.5142 -6.50834 -36.7188 -50.3024 -87.257 88.5978 -16.5819 122.702 -389.289 PRESSAVG: 2054800 31.1148 35.5222 -0.807839 35.5222 -53.3092 9.92116 -0.807779 9.92118 17.5177 GPRESSAVG: 2054800 31.064 32.7259 -1.44421 35.8588 -53.1103 9.9566 -0.745322 8.30905 17.2536 TIMING: 2054800 CPU: 6480.64, 0.003137/step Wall: 6480.64, 0.003137/step, 2.56641 hours remaining, 238.921875 MB of memory in use. ENERGY: 2054800 4020.0956 20557.6736 14447.6585 245.1775 -203334.7993 2276.2128 0.0000 0.0000 52379.3963 -109408.5850 301.0251 -161787.9813 -109050.4483 299.7423 -218.3834 -191.6866 761383.6978 -1.5589 -1.5975 PRESSURE: 2055000 381.208 -19.9582 -82.0403 -19.9589 -83.8851 -3.06219 -82.04 -3.06312 527.602 GPRESSURE: 2055000 448.952 13.1713 -25.2295 -4.32972 -104.298 -44.0114 -51.6284 -16.9441 550.181 PRESSAVG: 2055000 49.7721 -25.1775 -7.64086 -25.1776 -34.9009 39.2181 -7.64086 39.218 25.1308 GPRESSAVG: 2055000 49.3347 -22.9268 -5.98281 -25.4623 -34.6643 36.6684 -10.1896 44.0227 25.1301 TIMING: 2055000 CPU: 6481.27, 0.00312905/step Wall: 6481.27, 0.00312905/step, 2.55973 hours remaining, 238.921875 MB of memory in use. ENERGY: 2055000 3868.8697 20532.1583 14459.2760 242.9549 -203657.5294 2719.0955 0.0000 0.0000 52263.0063 -109572.1688 300.3562 -161835.1750 -109207.0492 300.2881 274.9751 298.2785 759409.5602 13.3340 13.2668 PRESSURE: 2055200 -123.398 56.4197 -44.2387 56.4192 -98.8312 -89.6607 -44.2379 -89.661 -93.6743 GPRESSURE: 2055200 -15.7604 -4.448 -24.6553 100.656 -181.12 -18.2033 112.417 -54.3593 -49.2025 PRESSAVG: 2055200 60.4044 -31.5055 6.95616 -31.5055 -41.3544 2.8999 6.95616 2.89989 -11.2476 GPRESSAVG: 2055200 61.429 -32.5652 6.71773 -31.7742 -43.2962 4.39826 7.79478 0.691848 -10.712 TIMING: 2055200 CPU: 6481.9, 0.00313748/step Wall: 6481.9, 0.00313748/step, 2.56646 hours remaining, 238.921875 MB of memory in use. ENERGY: 2055200 3929.0876 20642.4119 14531.7108 261.8722 -203409.5828 2480.9547 0.0000 0.0000 51936.9281 -109626.6175 298.4822 -161563.5455 -109263.3858 298.9304 -105.3013 -82.0275 760243.5266 2.6008 2.4736 PRESSURE: 2055400 -68.9726 -231.134 -70.9207 -231.133 -591.556 -11.0673 -70.9204 -11.0679 -366.267 GPRESSURE: 2055400 -81.8592 -156.89 21.2622 -188.825 -502.195 -33.2363 -172.105 91.6542 -342.96 PRESSAVG: 2055400 55.2427 -55.377 34.5019 -55.377 -27.5167 -39.5745 34.5018 -39.5744 -3.81969 GPRESSAVG: 2055400 55.5897 -54.5167 35.2706 -54.7236 -26.2503 -40.0214 33.4165 -40.3652 -5.17597 TIMING: 2055400 CPU: 6482.53, 0.00316347/step Wall: 6482.53, 0.00316347/step, 2.58754 hours remaining, 238.921875 MB of memory in use. ENERGY: 2055400 4004.9165 20666.2295 14450.2666 245.6703 -203015.0857 2031.7029 0.0000 0.0000 52000.8477 -109615.4523 298.8496 -161616.3000 -109261.5786 299.1786 -342.2650 -309.0045 761484.2338 7.9688 8.0545 PRESSURE: 2055600 52.2353 10.2278 -154.048 10.2274 -102.356 -27.7497 -154.048 -27.7499 -125.811 GPRESSURE: 2055600 58.0515 24.8357 -38.011 34.662 -105.81 16.2453 -300.959 -56.3929 -33.4966 PRESSAVG: 2055600 -14.9339 -61.7197 13.2995 -61.7197 38.628 -20.5487 13.2995 -20.5487 -9.3239 GPRESSAVG: 2055600 -17.1938 -63.9935 12.823 -61.5503 40.0188 -19.1745 12.7703 -19.5199 -8.58626 TIMING: 2055600 CPU: 6483.16, 0.00316487/step Wall: 6483.16, 0.00316487/step, 2.58851 hours remaining, 238.921875 MB of memory in use. ENERGY: 2055600 3994.7402 20626.7758 14444.8656 249.5405 -203132.8990 2537.2907 0.0000 0.0000 52179.7375 -109099.9487 299.8777 -161279.6862 -108746.6153 299.7839 -58.6437 -27.0852 761714.9122 4.7901 4.7462 PRESSURE: 2055800 -18.515 216.112 219.684 216.113 -12.9308 1.81776 219.683 1.81691 57.3881 GPRESSURE: 2055800 75.6155 174.015 312.36 214.89 -33.0244 -42.1845 147.156 -44.0573 76.2849 PRESSAVG: 2055800 -17.5002 -38.0444 -38.8901 -38.0444 10.0246 14.1824 -38.8901 14.1825 -3.57978 GPRESSAVG: 2055800 -16.3061 -36.7129 -40.1496 -38.1341 7.91405 14.0035 -37.0152 14.3409 -2.64148 TIMING: 2055800 CPU: 6483.79, 0.00313086/step Wall: 6483.79, 0.00313086/step, 2.56052 hours remaining, 238.921875 MB of memory in use. ENERGY: 2055800 4038.5945 20524.8422 14518.8512 259.4937 -203371.0845 2555.1673 0.0000 0.0000 52310.5113 -109163.6243 300.6292 -161474.1356 -108798.3435 300.2529 8.6475 39.6253 760956.0653 -3.6851 -3.6779 PRESSURE: 2056000 568.575 32.0163 55.8768 32.0169 -110.643 -222.062 55.8759 -222.062 168.317 GPRESSURE: 2056000 614.436 61.7382 15.8257 -46.0312 -42.0949 -266.349 133.499 -261.521 129.427 PRESSAVG: 2056000 -4.52921 16.0979 19.245 16.0978 -55.3115 8.76031 19.245 8.76033 7.13389 GPRESSAVG: 2056000 -3.09095 17.4995 18.5502 13.5694 -55.6228 7.52386 19.2337 9.3444 5.46022 TIMING: 2056000 CPU: 6484.42, 0.00313644/step Wall: 6484.42, 0.00313644/step, 2.56491 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2056000 3963.5541 20509.6555 14450.6399 246.7498 -203494.3194 2816.5872 0.0000 0.0000 52149.2989 -109357.8341 299.7027 -161507.1330 -108993.6218 300.0961 208.7499 233.9228 761501.2716 -17.5689 -17.7512 PRESSURE: 2056200 220.58 59.2438 -50.6424 59.2436 224.353 121.542 -50.643 121.542 199.126 GPRESSURE: 2056200 274.327 147.893 -56.1117 26.0833 261.858 227.887 -142.075 123.909 185.211 PRESSAVG: 2056200 -32.2196 31.75 29.404 31.7499 24.8992 6.13673 29.404 6.13675 0.935565 GPRESSAVG: 2056200 -33.5441 32.0598 29.0165 33.8977 25.9476 7.93081 28.9463 5.29742 1.41319 TIMING: 2056200 CPU: 6485.04, 0.00314226/step Wall: 6485.04, 0.00314226/step, 2.5695 hours remaining, 238.921875 MB of memory in use. ENERGY: 2056200 4098.1071 20428.6589 14423.8545 235.0233 -203436.1491 2819.7044 0.0000 0.0000 52133.7163 -109297.0846 299.6132 -161430.8009 -108925.9297 299.3767 214.6862 240.4655 761489.2984 -2.1283 -2.0611 LDB: ============= START OF LOAD BALANCING ============== 6497.44 LDB: ============== END OF LOAD BALANCING =============== 6497.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6497.45 LDB: ============= START OF LOAD BALANCING ============== 6497.76 LDB: Largest compute 7034 load 0.034010 is 17.4% of average load 0.195824 LDB: Average compute 0.004444 is 2.3% of average load 0.195824 LDB: TIME 6497.77 LOAD: AVG 0.195824 MAX 0.217546 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 6497.77 LOAD: AVG 0.195824 MAX 0.217546 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 6497.77 LOAD: AVG 0.195824 MAX 0.217546 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 6497.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6497.78 PRESSURE: 2056400 231.394 -98.6165 -118.614 -98.6166 264.946 -17.959 -118.614 -17.9591 165.425 GPRESSURE: 2056400 244.558 -111.988 -162.85 -133.939 334.254 10.9956 -150.11 -67.7453 177.653 PRESSAVG: 2056400 -5.18939 26.0015 25.0461 26.0015 29.5812 9.93422 25.0461 9.93416 11.0309 GPRESSAVG: 2056400 -6.2169 25.165 25.5979 25.6846 30.0637 8.20223 27.2819 12.0568 11.7916 TIMING: 2056400 CPU: 6485.69, 0.00323992/step Wall: 6485.69, 0.00323993/step, 2.64918 hours remaining, 237.839844 MB of memory in use. ENERGY: 2056400 3960.2959 20577.5888 14496.0244 247.8330 -203994.9673 3044.3847 0.0000 0.0000 52328.1295 -109340.7111 300.7305 -161668.8405 -108972.9743 299.5262 220.5884 252.1548 759771.4823 11.8076 11.8795 PRESSURE: 2056600 5.67867 -83.6396 -14.2658 -83.6405 45.0975 190.345 -14.2664 190.344 21.306 GPRESSURE: 2056600 153.067 16.9443 -4.46429 -67.5701 51.2377 188.97 -109.269 138.056 -27.3735 PRESSAVG: 2056600 -7.89334 3.85755 31.8623 3.85747 16.8523 13.2406 31.8623 13.2406 -38.9711 GPRESSAVG: 2056600 -7.54009 4.52617 34.5872 3.15713 16.5092 13.4951 28.2436 10.5681 -39.187 TIMING: 2056600 CPU: 6486.32, 0.00314944/step Wall: 6486.32, 0.00314944/step, 2.57502 hours remaining, 237.839844 MB of memory in use. ENERGY: 2056600 3937.1848 20602.2734 14473.9982 253.8132 -203646.9289 2761.5887 0.0000 0.0000 52377.2015 -109240.8692 301.0125 -161618.0707 -108858.7648 300.0361 24.0274 58.9769 761574.7375 -10.0040 -10.0726 PRESSURE: 2056800 -254.579 -104.595 19.9494 -104.596 49.3003 85.9498 19.9498 85.9505 -83.3495 GPRESSURE: 2056800 -303.351 32.2867 22 -88.0057 117.33 191.6 -25.4067 136.53 -30.2721 PRESSAVG: 2056800 -1.4629 -18.495 -4.70024 -18.495 -26.8084 41.675 -4.70023 41.675 14.3344 GPRESSAVG: 2056800 -1.78069 -20.809 -5.54679 -17.4545 -25.9792 42.2015 -5.2905 43.9562 13.936 TIMING: 2056800 CPU: 6486.95, 0.00313773/step Wall: 6486.95, 0.00313773/step, 2.56527 hours remaining, 237.839844 MB of memory in use. ENERGY: 2056800 3920.0106 20616.8852 14461.9518 261.5953 -203113.0018 2315.6915 0.0000 0.0000 52337.1943 -109199.6732 300.7826 -161536.8675 -108833.7665 299.9353 -96.2093 -72.0976 761108.3539 -4.6456 -4.6080 PRESSURE: 2057000 16.5698 -71.6278 -124.155 -71.6278 -3.9851 -182.942 -124.155 -182.942 -113.263 GPRESSURE: 2057000 5.12871 -111.543 -220.521 -7.47647 48.9406 -254.072 -186.274 -182.376 -74.5861 PRESSAVG: 2057000 -27.7824 6.52307 -15.799 6.5231 44.6432 -14.3583 -15.799 -14.3584 -9.52294 GPRESSAVG: 2057000 -28.5427 7.34653 -17.7055 5.31896 45.0394 -15.1736 -12.761 -13.26 -9.67921 TIMING: 2057000 CPU: 6487.58, 0.00315432/step Wall: 6487.58, 0.00315432/step, 2.57866 hours remaining, 237.839844 MB of memory in use. ENERGY: 2057000 3936.4485 20661.3142 14462.4788 255.4021 -203390.1012 2505.1199 0.0000 0.0000 52334.4755 -109234.8622 300.7670 -161569.3377 -108869.1670 300.1892 -33.5593 -6.8389 762778.9263 2.4460 2.2725 PRESSURE: 2057200 -313.562 -109.73 -100.822 -109.731 -290.892 78.6496 -100.822 78.6494 -350.316 GPRESSURE: 2057200 -236.173 -131.704 -87.6556 -97.9907 -269.702 217.858 14.0851 21.5166 -366.225 PRESSAVG: 2057200 -16.5912 -19.8525 -16.956 -19.8526 25.5254 10.5087 -16.9559 10.5087 26.0827 GPRESSAVG: 2057200 -16.5752 -20.3544 -16.9767 -20.4836 23.7561 11.8232 -17.737 7.8889 27.7675 TIMING: 2057200 CPU: 6488.22, 0.00317244/step Wall: 6488.22, 0.00317244/step, 2.5933 hours remaining, 237.839844 MB of memory in use. ENERGY: 2057200 4050.7060 20586.5175 14481.3715 247.9428 -202951.5519 2250.7073 0.0000 0.0000 52076.8829 -109257.4238 299.2866 -161334.3067 -108888.7945 300.0566 -318.2568 -290.7002 762939.0272 11.6723 11.6495 PRESSURE: 2057400 197.115 88.8073 -61.1301 88.8059 -176.302 125.231 -61.1305 125.231 -180.995 GPRESSURE: 2057400 195.541 14.6391 2.96634 47.6518 -31.7323 -18.7197 -143.297 170.869 -234.552 PRESSAVG: 2057400 -24.7674 -40.6521 -36.0023 -40.6521 44.6074 25.8849 -36.0023 25.8849 -6.6436 GPRESSAVG: 2057400 -23.9298 -39.8826 -34.7742 -40.0236 46.9052 24.7519 -36.194 27.6488 -8.97385 TIMING: 2057400 CPU: 6488.86, 0.00320242/step Wall: 6488.86, 0.00320242/step, 2.61763 hours remaining, 237.839844 MB of memory in use. ENERGY: 2057400 4028.2326 20533.5902 14499.0651 237.2415 -203401.3637 2544.5876 0.0000 0.0000 52386.5477 -109172.0989 301.0662 -161558.6466 -108798.8435 300.4048 -53.3938 -23.5811 761368.6706 4.3988 4.6672 PRESSURE: 2057600 88.3812 90.8102 109.944 90.8106 169.504 67.2702 109.945 67.2688 -147.893 GPRESSURE: 2057600 96.6821 54.2491 48.8889 -10.9815 157.539 87.8577 167.192 143.084 -48.3025 PRESSAVG: 2057600 -23.796 -67.6249 -22.1244 -67.6249 38.7822 -21.6085 -22.1243 -21.6084 18.3356 GPRESSAVG: 2057600 -23.3864 -69.0359 -21.5795 -66.4084 38.1683 -22.3154 -22.0141 -20.6634 18.8079 TIMING: 2057600 CPU: 6489.5, 0.00322707/step Wall: 6489.5, 0.00322707/step, 2.63759 hours remaining, 237.839844 MB of memory in use. ENERGY: 2057600 3998.1651 20543.8446 14471.2015 250.0706 -203407.5893 2737.1039 0.0000 0.0000 51988.2099 -109418.9937 298.7770 -161407.2036 -109049.2422 299.4357 36.6642 68.6396 762252.0000 11.1073 11.1966 PRESSURE: 2057800 64.0831 -164.783 -111.454 -164.783 320.361 -267.94 -111.453 -267.94 324.851 GPRESSURE: 2057800 141.68 -97.1833 -123.117 -99.9435 308.807 -223.872 -8.90406 -257.767 342.961 PRESSAVG: 2057800 18.8823 -43.8884 -35.2575 -43.8883 12.2169 -30.4923 -35.2574 -30.4923 -10.7149 GPRESSAVG: 2057800 20.0576 -40.8221 -35.8879 -45.8071 12.5552 -29.7519 -34.6504 -32.8587 -11.7466 TIMING: 2057800 CPU: 6490.14, 0.00320655/step Wall: 6490.14, 0.00320655/step, 2.62064 hours remaining, 237.839844 MB of memory in use. ENERGY: 2057800 3963.2370 20754.4249 14492.8944 255.6784 -203842.4554 2881.8291 0.0000 0.0000 52228.2937 -109266.0980 300.1567 -161494.3916 -108909.1386 299.6279 236.4317 264.4829 762104.7790 6.7947 6.9554 PRESSURE: 2058000 176.904 -29.4649 -55.3373 -29.4649 258.22 147.84 -55.338 147.84 120.225 GPRESSURE: 2058000 280.163 76.9315 -129.507 5.16996 210.498 77.361 -27.0855 183.843 144.485 PRESSAVG: 2058000 -9.28069 -3.76325 -0.729069 -3.76326 -19.0611 -41.1677 -0.72909 -41.1677 0.0234402 GPRESSAVG: 2058000 -9.08267 -3.42867 -0.0308177 -3.3379 -20.1667 -41.2759 -2.96476 -41.3428 1.3663 TIMING: 2058000 CPU: 6490.78, 0.00317755/step Wall: 6490.78, 0.00317755/step, 2.59677 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2058000 3990.5540 20579.8427 14428.6875 240.9571 -203716.8925 2929.2283 0.0000 0.0000 52007.0786 -109540.5443 298.8854 -161547.6229 -109179.9045 299.8957 185.1163 211.7153 762171.0086 -9.4395 -9.2944 PRESSURE: 2058200 198.218 38.041 -304.884 38.0406 -289.379 101.386 -304.884 101.386 235.882 GPRESSURE: 2058200 256.434 3.9788 -361.949 23.8941 -223.457 105.419 -127.028 24.6747 189.559 PRESSAVG: 2058200 40.1862 -24.0898 2.31132 -24.0898 28.3936 -12.1981 2.31124 -12.1982 2.38794 GPRESSAVG: 2058200 39.6399 -25.7363 2.34569 -23.0065 29.2804 -10.3414 2.91577 -12.9856 2.32326 TIMING: 2058200 CPU: 6491.41, 0.003176/step Wall: 6491.41, 0.003176/step, 2.59532 hours remaining, 237.839844 MB of memory in use. ENERGY: 2058200 3991.9163 20755.2737 14574.4826 240.1472 -203638.9320 2614.0209 0.0000 0.0000 51733.6843 -109729.4070 297.3142 -161463.0913 -109372.1831 299.3170 48.2404 74.1788 760601.8629 23.6559 23.7479 PRESSURE: 2058400 -367.712 45.7856 90.664 45.7848 -358.994 -86.1605 90.6636 -86.159 -386.416 GPRESSURE: 2058400 -317.655 67.8867 17.695 4.37277 -393.223 -89.7929 -69.9218 -98.8433 -307.72 PRESSAVG: 2058400 -13.4053 49.757 -17.3808 49.7569 0.641441 -21.6108 -17.3808 -21.6108 -18.9118 GPRESSAVG: 2058400 -13.4321 50.2849 -18.5632 48.9891 0.843208 -24.2539 -17.6543 -20.8022 -19.0053 TIMING: 2058400 CPU: 6492.05, 0.00316803/step Wall: 6492.05, 0.00316803/step, 2.58863 hours remaining, 237.839844 MB of memory in use. ENERGY: 2058400 4067.3126 20517.9066 14478.1667 249.7679 -203620.1484 2368.0707 0.0000 0.0000 52090.3002 -109848.6238 299.3637 -161938.9240 -109482.1330 298.9441 -371.0406 -339.5322 761629.2789 -10.5586 -10.5314 PRESSURE: 2058600 -77.1208 -90.2104 68.6602 -90.2108 -212.061 21.8303 68.6613 21.8307 253.531 GPRESSURE: 2058600 -33.4285 -176.803 71.6719 -62.8916 -188.025 -33.1842 7.75196 148.47 276.653 PRESSAVG: 2058600 63.799 13.6303 -2.11524 13.6302 -47.8039 -4.97578 -2.1152 -4.97577 1.88441 GPRESSAVG: 2058600 62.456 15.2971 -1.81146 13.0394 -47.3144 -3.76381 -1.53719 -3.49505 2.68955 TIMING: 2058600 CPU: 6492.68, 0.003146/step Wall: 6492.68, 0.003146/step, 2.57046 hours remaining, 237.839844 MB of memory in use. ENERGY: 2058600 3979.3747 20370.5411 14572.5517 236.4283 -203815.9060 2653.5936 0.0000 0.0000 51971.6474 -110031.7690 298.6818 -162003.4164 -109662.9757 298.2345 -11.8838 18.4001 760328.5666 5.9599 5.9437 PRESSURE: 2058800 -137.464 134.382 -78.0596 134.382 -159.576 78.0889 -78.0594 78.0893 -281.058 GPRESSURE: 2058800 -48.2469 209.575 -41.1947 107.598 -163.513 117.83 97.4035 -76.024 -286.259 PRESSAVG: 2058800 84.2887 17.383 -48.1358 17.383 -49.103 -52.8997 -48.1357 -52.8997 -1.34138 GPRESSAVG: 2058800 87.1948 15.2556 -47.1088 19.4696 -50.1697 -53.1769 -47.6871 -53.9643 -3.22795 TIMING: 2058800 CPU: 6493.31, 0.00316892/step Wall: 6493.31, 0.00316892/step, 2.58901 hours remaining, 237.839844 MB of memory in use. ENERGY: 2058800 4041.3018 20527.2148 14506.0496 231.3631 -203116.3133 2172.9099 0.0000 0.0000 51828.3281 -109809.1460 297.8581 -161637.4741 -109443.7899 298.4560 -192.6991 -166.0064 762692.9821 11.2814 11.2657 PRESSURE: 2059000 187.837 208.294 -91.0607 208.294 191.856 15.9698 -91.0613 15.9694 -164.871 GPRESSURE: 2059000 199.834 239.552 -6.16205 114.559 260.646 -29.4075 -56.2266 56.4694 -151.943 PRESSAVG: 2059000 -28.491 -12.3068 -66.4118 -12.3068 -29.8573 -17.2745 -66.4118 -17.2745 12.1192 GPRESSAVG: 2059000 -28.8436 -10.3023 -66.7325 -16.637 -30.0371 -15.2349 -66.8763 -18.2181 12.2649 TIMING: 2059000 CPU: 6493.94, 0.00315287/step Wall: 6493.94, 0.00315287/step, 2.57572 hours remaining, 237.839844 MB of memory in use. ENERGY: 2059000 3928.9561 20513.0966 14517.6904 241.6308 -204096.0361 2882.0565 0.0000 0.0000 52145.8491 -109866.7567 299.6829 -162012.6058 -109491.5049 299.2129 71.6072 102.8459 760249.2269 -15.4097 -15.5386 PRESSURE: 2059200 85.6838 207.401 -3.25382 207.401 181.752 43.5642 -3.25351 43.5638 83.0736 GPRESSURE: 2059200 96.2473 99.3274 -7.68138 304.725 290.015 -51.9892 -51.8274 67.8076 49.4682 PRESSAVG: 2059200 16.3592 -29.4274 -23.2853 -29.4274 17.899 -3.59693 -23.2852 -3.59699 -2.04891 GPRESSAVG: 2059200 14.973 -31.6888 -22.2905 -28.0148 18.7479 -6.87783 -23.2725 -3.42524 -1.54426 TIMING: 2059200 CPU: 6494.58, 0.00317323/step Wall: 6494.58, 0.00317323/step, 2.59217 hours remaining, 237.839844 MB of memory in use. ENERGY: 2059200 4037.2664 20361.7389 14491.7309 240.1719 -203943.6171 2729.1025 0.0000 0.0000 52406.8248 -109676.7816 301.1827 -162083.6065 -109308.7120 299.3398 116.8365 145.2435 760462.8914 10.7364 10.7256 PRESSURE: 2059400 -3.63715 8.55556 19.9476 8.55515 139.456 -159.983 19.9475 -159.983 45.4144 GPRESSURE: 2059400 47.948 -62.4658 67.1934 -144.738 122.89 62.417 87.2733 -154.659 85.2168 PRESSAVG: 2059400 -26.9464 -0.936597 -50.1488 -0.936567 11.6471 -26.61 -50.1488 -26.6099 -9.92337 GPRESSAVG: 2059400 -26.2129 -1.15387 -51.7174 0.0762281 10.9388 -24.1267 -48.6631 -27.3951 -9.77322 TIMING: 2059400 CPU: 6495.21, 0.00318477/step Wall: 6495.21, 0.00318477/step, 2.60143 hours remaining, 237.839844 MB of memory in use. ENERGY: 2059400 3988.0179 20450.8083 14463.8584 239.6947 -203967.2576 2806.8136 0.0000 0.0000 52374.8615 -109643.2032 300.9990 -162018.0647 -109284.3397 299.0663 60.4111 85.3515 761096.8591 -8.4076 -8.3491 PRESSURE: 2059600 -167.227 51.5791 28.9058 51.5789 108.513 115.306 28.9061 115.306 -92.2612 GPRESSURE: 2059600 -163.318 15.5279 -107.008 81.1371 60.0486 138.768 88.6222 15.8348 26.6503 PRESSAVG: 2059600 2.03194 49.5314 -18.1154 49.5314 13.6607 -55.8558 -18.1155 -55.8557 -8.50681 GPRESSAVG: 2059600 1.98912 51.057 -17.3304 47.7011 12.3999 -55.6366 -21.1916 -54.2139 -7.89983 TIMING: 2059600 CPU: 6495.85, 0.00318486/step Wall: 6495.85, 0.00318485/step, 2.60132 hours remaining, 237.839844 MB of memory in use. ENERGY: 2059600 3970.0231 20556.7405 14552.4810 238.8864 -203632.7056 2482.6537 0.0000 0.0000 52179.7348 -109652.1862 299.8777 -161831.9209 -109287.7870 299.8225 -50.3249 -25.5398 761196.0968 2.3953 2.1631 PRESSURE: 2059800 129.997 -94.6423 -42.6732 -94.6417 226.791 63.4967 -42.6739 63.4981 165.691 GPRESSURE: 2059800 149.184 7.759 -105.415 -95.9477 296.413 139.884 66.5265 10.2755 145.499 PRESSAVG: 2059800 -11.9181 47.4282 -61.6801 47.4281 5.87719 6.16638 -61.6801 6.16642 14.7741 GPRESSAVG: 2059800 -12.805 47.0212 -61.4927 50.3654 7.78867 3.85012 -60.6002 7.55414 14.1948 TIMING: 2059800 CPU: 6496.49, 0.00317888/step Wall: 6496.49, 0.00317888/step, 2.59626 hours remaining, 237.839844 MB of memory in use. ENERGY: 2059800 4017.4172 20499.8317 14459.0680 241.1321 -203959.7227 2927.9896 0.0000 0.0000 51945.8794 -109868.4047 298.5337 -161814.2841 -109507.1408 299.1168 174.1595 197.0319 760697.3865 2.9111 3.0595 PRESSURE: 2060000 -166.791 102.8 -188.847 102.799 -110.5 35.0624 -188.848 35.0633 227.122 GPRESSURE: 2060000 -159.677 -44.0662 -211.922 110.47 -46.6432 -33.9323 -235.726 89.0447 256.229 PRESSAVG: 2060000 -7.93883 47.2744 -61.9867 47.2744 21.3063 -3.89469 -61.9867 -3.89477 -6.34893 GPRESSAVG: 2060000 -8.5142 47.3752 -61.3811 46.6744 20.884 -1.96353 -62.4416 -4.61875 -5.86997 TIMING: 2060000 CPU: 6497.12, 0.00317141/step Wall: 6497.12, 0.00317141/step, 2.58998 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2060000 4006.2018 20639.8104 14419.8230 236.2834 -203990.2150 2745.8793 0.0000 0.0000 52209.3533 -109732.8637 300.0479 -161942.2171 -109381.6622 299.3246 -16.7226 16.6360 759835.8347 2.3395 2.1666 PRESSURE: 2060200 -131.774 135.635 51.1285 135.635 155.082 -36.7423 51.1273 -36.7424 86.2029 GPRESSURE: 2060200 -5.49186 176.544 -27.4971 17.6589 83.1084 -49.9234 40.9531 24.3215 124.853 PRESSAVG: 2060200 -48.0003 56.5589 -48.7688 56.5588 31.3715 -38.0459 -48.7688 -38.0459 0.202312 GPRESSAVG: 2060200 -46.3323 54.2518 -49.3543 56.571 30.4509 -38.31 -48.67 -37.4437 -0.476468 TIMING: 2060200 CPU: 6497.76, 0.00321773/step Wall: 6497.76, 0.00321773/step, 2.62764 hours remaining, 237.839844 MB of memory in use. ENERGY: 2060200 4062.0144 20423.6607 14493.0004 247.1767 -203195.2640 2354.7357 0.0000 0.0000 51589.1168 -110025.5593 296.4834 -161614.6761 -109664.4838 298.7678 36.5038 67.4897 760143.1935 -5.4755 -5.4526 LDB: ============= START OF LOAD BALANCING ============== 6510.17 LDB: ============== END OF LOAD BALANCING =============== 6510.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6510.17 LDB: ============= START OF LOAD BALANCING ============== 6510.49 LDB: Largest compute 7034 load 0.036831 is 18.8% of average load 0.195893 LDB: Average compute 0.004436 is 2.3% of average load 0.195893 LDB: TIME 6510.49 LOAD: AVG 0.195893 MAX 0.21527 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.891 MB LDB: TIME 6510.49 LOAD: AVG 0.195893 MAX 0.21527 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.094 MB LDB: TIME 6510.49 LOAD: AVG 0.195893 MAX 0.21527 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.094 MB LDB: ============== END OF LOAD BALANCING =============== 6510.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6510.5 PRESSURE: 2060400 -37.327 -54.7321 167.466 -54.7322 408.619 -85.3218 167.466 -85.3209 192.104 GPRESSURE: 2060400 2.48719 -91.5371 194.652 -84.0085 427.802 -60.7004 131.378 136.58 205.809 PRESSAVG: 2060400 -50.0972 46.1746 -4.77286 46.1746 35.8103 -2.0965 -4.7729 -2.09652 3.21979 GPRESSAVG: 2060400 -49.6079 47.6837 -5.38467 45.5961 35.1776 -2.89633 -3.96267 -0.255518 3.31886 TIMING: 2060400 CPU: 6498.42, 0.00326472/step Wall: 6498.42, 0.00326472/step, 2.66582 hours remaining, 238.609375 MB of memory in use. ENERGY: 2060400 3929.3346 20666.4795 14467.5405 235.4879 -203827.1800 2582.1206 0.0000 0.0000 52065.0354 -109881.1815 299.2185 -161946.2169 -109514.1544 298.9518 187.7986 212.0326 761272.4695 -3.6890 -3.7038 PRESSURE: 2060600 -344.176 102.086 -104.963 102.088 -237.481 252.247 -104.963 252.248 137.129 GPRESSURE: 2060600 -356.125 86.5659 -107.896 136.669 -141.67 282.259 -40.5627 129.994 129.622 PRESSAVG: 2060600 -42.7295 60.2542 25.1796 60.2542 6.36422 26.4007 25.1796 26.4007 -3.0348 GPRESSAVG: 2060600 -44.6471 60.854 24.8097 61.0384 7.29139 26.9466 24.579 24.0783 -2.30965 TIMING: 2060600 CPU: 6499.06, 0.00321349/step Wall: 6499.06, 0.00321349/step, 2.62381 hours remaining, 238.609375 MB of memory in use. ENERGY: 2060600 3996.6330 20521.3421 14560.2598 232.4216 -203772.4151 2692.5653 0.0000 0.0000 51839.4593 -109929.7339 297.9221 -161769.1932 -109569.9243 298.4434 -148.1760 -122.7246 761881.9075 -13.1334 -13.2218 PRESSURE: 2060800 -137.983 165.61 -184.837 165.61 54.3668 -52.4398 -184.837 -52.4398 -256.461 GPRESSURE: 2060800 -19.0728 34.2282 -180.336 202.183 -56.5192 -78.5051 -72.9598 -79.1513 -202.727 PRESSAVG: 2060800 -40.7523 13.5515 21.6516 13.5515 43.7617 3.76391 21.6516 3.76401 14.9654 GPRESSAVG: 2060800 -40.7459 14.1395 22.3426 13.3727 43.7875 3.95106 21.1915 2.84534 14.8859 TIMING: 2060800 CPU: 6499.7, 0.00320132/step Wall: 6499.7, 0.00320132/step, 2.6137 hours remaining, 238.609375 MB of memory in use. ENERGY: 2060800 3940.7732 20684.1670 14478.0927 237.5015 -203582.0727 2355.6991 0.0000 0.0000 52130.8826 -109754.9566 299.5969 -161885.8392 -109394.8678 298.2483 -113.3592 -92.7730 760747.3055 5.9916 5.9758 PRESSURE: 2061000 -30.9635 23.6284 -15.0152 23.6287 -137.739 28.1503 -15.0149 28.1498 -633.89 GPRESSURE: 2061000 -92.1128 41.4715 -26.3592 -23.5775 -41.3366 -28.7418 -86.7731 71.6875 -598.062 PRESSAVG: 2061000 5.96631 32.3508 31.0584 32.3509 40.8829 -24.6134 31.0584 -24.6134 -4.27739 GPRESSAVG: 2061000 5.85048 29.9302 29.9674 32.7275 40.1796 -23.3483 31.6276 -22.5435 -3.76196 TIMING: 2061000 CPU: 6500.34, 0.00319045/step Wall: 6500.34, 0.00319045/step, 2.60465 hours remaining, 238.609375 MB of memory in use. ENERGY: 2061000 3992.2136 20477.1078 14545.8412 239.5352 -203508.9921 2429.5226 0.0000 0.0000 52101.7683 -109723.0033 299.4296 -161824.7716 -109355.5986 298.9180 -267.5309 -243.8372 759731.5256 14.1906 14.0894 PRESSURE: 2061200 -69.8641 -146.718 7.52847 -146.718 -78.9804 154.622 7.52936 154.622 -228.425 GPRESSURE: 2061200 -26.5401 -98.4717 57.5093 -65.0355 -37.1983 141.12 71.4738 39.0445 -225.526 PRESSAVG: 2061200 10.7012 41.4816 46.6206 41.4816 63.9949 30.8249 46.6206 30.8249 -1.16406 GPRESSAVG: 2061200 10.4469 42.793 48.0543 44.1137 65.5608 28.6118 46.1597 29.8007 -2.81727 TIMING: 2061200 CPU: 6500.97, 0.00318029/step Wall: 6500.97, 0.00318029/step, 2.59618 hours remaining, 238.609375 MB of memory in use. ENERGY: 2061200 3927.7971 20552.7509 14574.4523 246.5850 -203841.4189 2665.8687 0.0000 0.0000 52161.6315 -109712.3333 299.7736 -161873.9648 -109335.7937 298.9196 -125.7565 -96.4215 761433.9546 24.5107 24.3968 PRESSURE: 2061400 -103.597 -62.5803 91.1963 -62.5803 -157.225 -28.4385 91.1968 -28.438 -265.774 GPRESSURE: 2061400 2.44812 -236.128 168.814 -55.3363 -166.778 -47.1972 81.758 -133.363 -272.996 PRESSAVG: 2061400 -12.9277 -16.6175 -19.779 -16.6175 -15.4378 -43.5964 -19.779 -43.5962 21.2449 GPRESSAVG: 2061400 -11.5445 -17.9768 -20.1344 -19.9311 -16.7372 -43.6497 -20.5464 -42.7031 21.3282 TIMING: 2061400 CPU: 6501.61, 0.00318764/step Wall: 6501.61, 0.00318764/step, 2.602 hours remaining, 238.609375 MB of memory in use. ENERGY: 2061400 3963.7912 20528.8300 14424.0303 258.9416 -203502.3149 2659.2454 0.0000 0.0000 52030.0364 -109637.4399 299.0173 -161667.4763 -109272.3029 299.1178 -175.5323 -145.7754 762032.2413 -2.3735 -2.3178 PRESSURE: 2061600 -55.9574 -64.7535 -127.3 -64.7538 -42.7682 -127.268 -127.299 -127.268 -141.271 GPRESSURE: 2061600 -21.4426 -121.768 -74.8541 -173.516 -18.8257 -30.2277 -166.298 -229.299 -135.751 PRESSAVG: 2061600 -1.85879 -3.51952 10.7972 -3.51955 -14.1934 -30.5347 10.7972 -30.5347 29.0075 GPRESSAVG: 2061600 -2.83409 -3.30637 10.9742 -3.01002 -13.4795 -29.7754 11.1621 -34.765 29.0222 TIMING: 2061600 CPU: 6502.24, 0.00317244/step Wall: 6502.24, 0.00317245/step, 2.58942 hours remaining, 238.609375 MB of memory in use. ENERGY: 2061600 4009.5604 20239.3037 14508.0334 233.7500 -203384.1624 2474.4470 0.0000 0.0000 52126.0983 -109792.9696 299.5694 -161919.0679 -109421.1135 298.8400 -79.9990 -58.6731 761194.1241 4.3185 4.2362 PRESSURE: 2061800 -94.4155 -229.932 201.104 -229.931 221.844 -171.936 201.104 -171.936 -97.7398 GPRESSURE: 2061800 -46.1977 -167.626 142.061 -226.361 289.805 -121.385 169.304 -225.904 -131.956 PRESSAVG: 2061800 -12.3129 -25.5679 -33.7724 -25.568 -6.82967 -2.31838 -33.7724 -2.31835 -1.85919 GPRESSAVG: 2061800 -12.747 -24.215 -32.8239 -25.8342 -6.52088 -2.8055 -31.7968 3.63507 -0.978394 TIMING: 2061800 CPU: 6502.88, 0.00316723/step Wall: 6502.88, 0.00316723/step, 2.58499 hours remaining, 238.609375 MB of memory in use. ENERGY: 2061800 3971.2009 20425.1777 14503.3901 250.7083 -203318.1081 2489.8434 0.0000 0.0000 51942.2707 -109735.5170 298.5129 -161677.7877 -109375.6074 298.9303 9.8961 37.2173 761035.1938 -7.0006 -6.7488 PRESSURE: 2062000 -243.75 -195.687 91.2904 -195.688 101.225 200.366 91.2906 200.368 -78.0301 GPRESSURE: 2062000 -212.077 -399.163 94.9093 -140.126 111.564 127.901 37.8017 320.331 -52.0849 PRESSAVG: 2062000 41.1825 -13.0808 -27.2313 -13.0808 -29.8082 -27.1497 -27.2312 -27.1497 -31.2658 GPRESSAVG: 2062000 40.2159 -15.4212 -26.8188 -13.1235 -29.5966 -26.6546 -29.2696 -29.5696 -30.7862 TIMING: 2062000 CPU: 6503.51, 0.00317857/step Wall: 6503.51, 0.00317857/step, 2.59407 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2062000 4045.9518 20446.4566 14521.4973 245.8279 -203309.8389 2367.1823 0.0000 0.0000 51886.7803 -109796.1428 298.1940 -161682.9231 -109432.7344 299.2499 -73.5183 -50.8659 760395.8982 -6.6305 -6.7223 PRESSURE: 2062200 225.139 270.888 28.7376 270.888 71.4008 -214.075 28.7367 -214.075 -150.302 GPRESSURE: 2062200 176.132 245.932 6.94579 283.951 145.359 -219.543 -162.839 -152.854 -110.302 PRESSAVG: 2062200 -49.3275 -2.31759 -25.391 -2.31761 52.0645 35.9734 -25.3909 35.9733 -7.03955 GPRESSAVG: 2062200 -47.436 -1.84908 -26.9597 -0.548584 50.8175 36.7125 -26.8853 35.4773 -7.42843 TIMING: 2062200 CPU: 6504.15, 0.00316458/step Wall: 6504.15, 0.00316458/step, 2.58247 hours remaining, 238.609375 MB of memory in use. ENERGY: 2062200 3968.6849 20440.2040 14541.0094 245.9585 -203615.9396 2564.0799 0.0000 0.0000 52018.4956 -109837.5074 298.9510 -161856.0030 -109481.3486 298.6500 48.7458 70.3963 760368.7504 -1.4342 -1.3490 PRESSURE: 2062400 173.017 -118.843 -57.9975 -118.844 81.0266 71.5484 -57.9976 71.5476 -308.685 GPRESSURE: 2062400 196.341 -178.677 -2.21066 -121.836 59.5334 43.9421 -85.5321 -64.3317 -229.118 PRESSAVG: 2062400 -43.5568 -12.0067 -34.8009 -12.0068 10.7059 -5.85399 -34.8009 -5.85403 0.584445 GPRESSAVG: 2062400 -45.0495 -10.9881 -35.4366 -13.3639 11.8762 -5.5748 -31.2733 -9.01874 0.776797 TIMING: 2062400 CPU: 6504.78, 0.00314861/step Wall: 6504.78, 0.00314861/step, 2.56926 hours remaining, 238.609375 MB of memory in use. ENERGY: 2062400 4007.5512 20409.2543 14528.8326 252.8315 -203354.0684 2480.2004 0.0000 0.0000 51600.2248 -110075.1736 296.5472 -161675.3984 -109717.8941 298.3003 -18.2138 8.9186 759805.1735 -10.7555 -10.7988 PRESSURE: 2062600 -161.848 -52.1781 -119.761 -52.1782 -460.427 -21.1203 -119.761 -21.1211 -181.659 GPRESSURE: 2062600 -215.369 -47.5523 -77.2724 -34.5841 -250.932 -44.1875 -151.242 30.6991 -249.412 PRESSAVG: 2062600 5.19609 22.1157 -46.802 22.1157 -21.8544 6.94232 -46.8019 6.94242 -21.7642 GPRESSAVG: 2062600 5.21592 20.701 -46.5361 22.9727 -21.3 4.85034 -48.6467 10.5288 -21.97 TIMING: 2062600 CPU: 6505.41, 0.00315537/step Wall: 6505.41, 0.00315537/step, 2.57461 hours remaining, 238.609375 MB of memory in use. ENERGY: 2062600 3983.8808 20398.3906 14528.8391 237.4126 -203654.3995 2581.5536 0.0000 0.0000 52097.6620 -109826.6607 299.4060 -161924.3227 -109468.8280 298.3944 -267.9782 -238.5709 761214.5576 -12.8075 -12.6847 PRESSURE: 2062800 -43.5554 126.094 17.6252 126.094 401.457 -37.7115 17.625 -37.7112 355.979 GPRESSURE: 2062800 9.08956 212.065 -23.4878 129.298 380.068 -82.2684 -66.9267 12.5989 385.772 PRESSAVG: 2062800 11.5256 0.891002 -26.0802 0.891034 -52.7201 -0.932105 -26.0802 -0.932183 27.5767 GPRESSAVG: 2062800 11.8958 2.69867 -26.1835 0.0720539 -53.0313 -1.43449 -24.7108 -0.695765 27.699 TIMING: 2062800 CPU: 6506.04, 0.00315343/step Wall: 6506.04, 0.00315343/step, 2.57284 hours remaining, 238.609375 MB of memory in use. ENERGY: 2062800 3880.7088 20552.0934 14453.6112 272.9367 -204090.3537 3055.9787 0.0000 0.0000 52048.1641 -109826.8608 299.1215 -161875.0249 -109467.0247 298.6343 237.9601 258.3099 760394.4065 -4.5393 -4.4788 PRESSURE: 2063000 -325.717 12.1194 -133.859 12.1192 -149.589 242.775 -133.859 242.776 -32.5517 GPRESSURE: 2063000 -235.719 72.0181 -118.871 169.836 -156.192 198.327 -231.37 254.616 -23.4653 PRESSAVG: 2063000 -23.1039 -5.25923 -26.7137 -5.25925 47.8281 4.38867 -26.7137 4.38871 -4.30344 GPRESSAVG: 2063000 -22.6965 -6.15525 -26.4817 -3.27225 47.0681 5.50044 -25.3377 4.23893 -3.83542 TIMING: 2063000 CPU: 6506.67, 0.00313604/step Wall: 6506.67, 0.00313604/step, 2.55849 hours remaining, 238.609375 MB of memory in use. ENERGY: 2063000 3892.6455 20345.9091 14473.3630 248.4174 -203133.4633 2598.6079 0.0000 0.0000 51629.2714 -109945.2489 296.7141 -161574.5204 -109580.2421 297.7644 -169.2862 -138.4587 760690.5242 6.8069 6.8454 PRESSURE: 2063200 63.5734 -107.971 16.0518 -107.971 25.1102 -55.5555 16.0516 -55.555 87.7838 GPRESSURE: 2063200 38.1621 -120.061 9.56546 -99.7222 27.2275 25.4811 83.0712 42.6602 213.238 PRESSAVG: 2063200 38.5664 -18.2183 -27.7776 -18.2183 -54.1865 28.1173 -27.7776 28.1173 10.4012 GPRESSAVG: 2063200 37.7827 -18.1659 -29.6857 -17.8859 -53.5339 28.6106 -27.9043 27.653 10.2734 TIMING: 2063200 CPU: 6507.3, 0.00315262/step Wall: 6507.3, 0.00315262/step, 2.57184 hours remaining, 238.609375 MB of memory in use. ENERGY: 2063200 3941.0684 20446.7356 14521.8946 263.0884 -202852.8098 2174.4033 0.0000 0.0000 51635.7873 -109869.8323 296.7516 -161505.6196 -109515.3657 297.6213 58.8225 92.8759 763339.9105 -1.7397 -1.8259 PRESSURE: 2063400 -118.351 -67.7678 262.538 -67.7675 -371.848 135.549 262.537 135.55 207.301 GPRESSURE: 2063400 -130.648 -59.2156 202.785 7.95154 -267.162 112.995 290.846 94.8993 202.858 PRESSAVG: 2063400 27.324 1.2889 -37.7274 1.289 -28.0649 13.6825 -37.7274 13.6825 2.13316 GPRESSAVG: 2063400 28.2993 2.66803 -37.0192 0.544403 -28.8798 11.8108 -38.0615 14.1063 1.64198 TIMING: 2063400 CPU: 6507.92, 0.00314032/step Wall: 6507.92, 0.00314032/step, 2.56163 hours remaining, 238.609375 MB of memory in use. ENERGY: 2063400 3890.2525 20615.0918 14479.5208 246.5274 -203352.3322 2583.4017 0.0000 0.0000 51868.8014 -109668.7366 298.0907 -161537.5380 -109307.3066 298.1470 -94.2994 -64.9840 763103.1444 0.4641 0.3538 PRESSURE: 2063600 419.794 58.795 -130.876 58.7945 -183.466 235.535 -130.876 235.534 270.215 GPRESSURE: 2063600 381.829 123.585 -184.213 43.6657 -116.967 178.798 -169.349 198.476 317.552 PRESSAVG: 2063600 32.5346 -7.00705 3.16302 -7.00715 -42.2034 30.7254 3.16303 30.7253 7.62266 GPRESSAVG: 2063600 30.9029 -7.85009 3.20557 -8.76372 -42.1744 31.0469 3.14478 31.2661 9.99823 TIMING: 2063600 CPU: 6508.55, 0.00315353/step Wall: 6508.55, 0.00315353/step, 2.57223 hours remaining, 238.609375 MB of memory in use. ENERGY: 2063600 3966.6998 20445.5892 14540.8734 245.9802 -203199.8137 2487.0757 0.0000 0.0000 51808.8245 -109704.7710 297.7460 -161513.5955 -109344.7919 297.7973 168.8478 194.1379 761659.5172 -0.6821 -0.4244 PRESSURE: 2063800 -78.8251 -49.2812 76.8274 -49.2803 -152.803 155.333 76.8278 155.333 -47.1337 GPRESSURE: 2063800 -53.1427 -117.657 145.927 -7.08866 -99.806 239.476 102.537 157.92 -42.269 PRESSAVG: 2063800 19.37 -62.3447 24.9183 -62.3447 -24.0827 45.4109 24.9183 45.4108 17.2336 GPRESSAVG: 2063800 21.3813 -64.4841 27.693 -59.9825 -23.8003 47.7971 24.9616 43.9782 14.9097 TIMING: 2063800 CPU: 6509.19, 0.00315359/step Wall: 6509.19, 0.00315359/step, 2.5721 hours remaining, 238.609375 MB of memory in use. ENERGY: 2063800 3972.1252 20423.2771 14470.5882 247.1354 -203476.0958 2736.8526 0.0000 0.0000 51848.5448 -109777.5724 297.9743 -161626.1172 -109414.4968 298.1491 -92.9204 -65.0726 761341.2879 4.1736 4.1636 PRESSURE: 2064000 149.696 -211.703 69.8532 -211.702 35.3981 186.165 69.8532 186.164 -425.079 GPRESSURE: 2064000 217.212 -0.0515774 123.414 -142.592 -6.69807 166.095 176.966 163.302 -366.77 PRESSAVG: 2064000 -3.47215 -14.7459 31.6301 -14.7459 12.6756 34.3382 31.6302 34.3382 -9.58647 GPRESSAVG: 2064000 -4.81505 -11.5344 32.0694 -15.1104 14.1517 34.253 30.316 34.9966 -9.53165 TIMING: 2064000 CPU: 6509.82, 0.00318647/step Wall: 6509.82, 0.00318647/step, 2.59875 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2064000 3962.1673 20378.8513 14521.8065 237.4635 -203463.1278 2702.5980 0.0000 0.0000 51967.2208 -109693.0205 298.6563 -161660.2412 -109335.5731 298.1006 -79.9949 -52.0852 763483.7403 -0.1277 -0.0650 PRESSURE: 2064200 -80.1842 -70.8574 144.455 -70.8568 154.088 135.111 144.454 135.111 246.65 GPRESSURE: 2064200 -13.6099 -12.9015 105.119 -47.6548 170.102 146.711 186.391 149.956 234.34 PRESSAVG: 2064200 57.5725 13.4953 18.7946 13.4953 -17.8338 18.1344 18.7947 18.1345 33.3459 GPRESSAVG: 2064200 57.9724 14.5538 16.8013 13.2133 -17.7023 15.8441 18.5952 21.4243 33.0275 TIMING: 2064200 CPU: 6510.46, 0.00317342/step Wall: 6510.46, 0.00317342/step, 2.58793 hours remaining, 238.609375 MB of memory in use. ENERGY: 2064200 3998.3232 20518.2076 14505.0716 254.2789 -203538.6546 2637.5876 0.0000 0.0000 52129.6465 -109495.5392 299.5898 -161625.1857 -109124.0453 299.1003 106.8512 130.2773 761810.9697 24.3615 24.4326 LDB: ============= START OF LOAD BALANCING ============== 6522.86 LDB: ============== END OF LOAD BALANCING =============== 6522.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6522.86 LDB: ============= START OF LOAD BALANCING ============== 6523.17 LDB: Largest compute 7034 load 0.034820 is 17.8% of average load 0.195973 LDB: Average compute 0.004430 is 2.3% of average load 0.195973 LDB: TIME 6523.18 LOAD: AVG 0.195973 MAX 0.213859 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.438 MB LDB: TIME 6523.18 LOAD: AVG 0.195973 MAX 0.213859 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.477 MB LDB: TIME 6523.18 LOAD: AVG 0.195973 MAX 0.213859 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.477 MB LDB: ============== END OF LOAD BALANCING =============== 6523.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6523.18 PRESSURE: 2064400 -140.39 73.7493 -127.509 73.7497 113.01 -92.6598 -127.51 -92.6609 -31.8348 GPRESSURE: 2064400 -117.426 -95.7703 -117.081 88.492 191.092 -98.0514 -110.939 -48.8517 -56.7139 PRESSAVG: 2064400 -33.8956 27.7731 10.6576 27.7731 9.98546 20.6396 10.6575 20.6397 13.6125 GPRESSAVG: 2064400 -33.5451 26.7063 10.8943 26.4642 10.0146 20.4336 11.2659 19.0361 13.4236 TIMING: 2064400 CPU: 6511.1, 0.003219/step Wall: 6511.1, 0.003219/step, 2.62491 hours remaining, 238.351562 MB of memory in use. ENERGY: 2064400 4032.5908 20606.5668 14528.2769 254.0528 -203564.7985 2656.3519 0.0000 0.0000 51874.3943 -109612.5650 298.1229 -161486.9593 -109248.2540 298.9810 -19.7383 5.6507 761880.8912 -3.4325 -3.3689 PRESSURE: 2064600 33.6913 37.2891 71.6562 37.289 -88.1905 13.5988 71.6568 13.5989 -54.8133 GPRESSURE: 2064600 69.2776 41.4802 106.446 104.078 -52.6739 10.5458 -93.9991 22.582 -34.038 PRESSAVG: 2064600 17.2814 -12.7859 -21.6815 -12.7859 -39.4912 42.6702 -21.6815 42.6701 13.7429 GPRESSAVG: 2064600 17.9023 -14.6216 -20.3097 -10.6066 -40.0154 43.3821 -22.2799 40.9675 13.6891 TIMING: 2064600 CPU: 6511.74, 0.00318454/step Wall: 6511.74, 0.00318454/step, 2.59664 hours remaining, 238.351562 MB of memory in use. ENERGY: 2064600 4001.0468 20458.5201 14567.5951 245.4981 -203446.8676 2367.2822 0.0000 0.0000 51911.0907 -109895.8345 298.3338 -161806.9253 -109531.1946 298.3761 -36.4375 -5.8114 759791.4792 -2.8223 -2.8080 PRESSURE: 2064800 -34.9471 -98.2099 272.981 -98.2105 -72.0401 237.288 272.981 237.288 4.77947 GPRESSURE: 2064800 10.1861 -35.433 319.77 -72.1509 14.7109 128.834 309.046 173.003 -26.5659 PRESSAVG: 2064800 13.7485 27.1936 -32.0709 27.1935 -25.6012 56.0558 -32.0709 56.0559 20.6461 GPRESSAVG: 2064800 11.7174 28.6422 -34.1755 25.4418 -25.065 56.6868 -31.5309 56.5466 21.4382 TIMING: 2064800 CPU: 6512.37, 0.00318004/step Wall: 6512.37, 0.00318004/step, 2.59279 hours remaining, 238.351562 MB of memory in use. ENERGY: 2064800 4003.4088 20373.9469 14583.7414 252.6462 -203612.9402 2664.0577 0.0000 0.0000 51926.5698 -109808.5696 298.4227 -161735.1393 -109444.3512 298.2534 -34.0692 -0.5563 760871.0466 2.9311 2.6969 PRESSURE: 2065000 161.021 -143.386 74.1963 -143.385 151.726 49.1483 74.1969 49.1481 -79.4833 GPRESSURE: 2065000 136.593 -95.9418 95.1216 -179.905 236.324 92.945 152.772 226.081 -73.5951 PRESSAVG: 2065000 -5.94052 -7.93823 -9.95598 -7.93826 30.0826 52.1357 -9.95608 52.1358 15.3882 GPRESSAVG: 2065000 -5.73316 -8.16895 -8.73819 -7.18641 29.6558 52.8494 -9.55575 51.2257 14.7985 TIMING: 2065000 CPU: 6513.01, 0.00318687/step Wall: 6513.01, 0.00318687/step, 2.59819 hours remaining, 238.351562 MB of memory in use. ENERGY: 2065000 3974.8643 20471.4621 14526.3952 240.8978 -203532.4042 2548.7936 0.0000 0.0000 51993.1255 -109776.8656 298.8052 -161769.9911 -109415.0512 298.5939 77.7549 99.7741 760110.6257 13.1768 12.9071 PRESSURE: 2065200 171.76 -88.9853 164.469 -88.9855 106.57 13.3101 164.469 13.3116 221.025 GPRESSURE: 2065200 351.407 -109.115 57.0282 -72.7207 69.9145 59.7475 181.678 -23.8788 163.778 PRESSAVG: 2065200 -35.4813 -76.3345 -9.39694 -76.3344 30.8553 35.229 -9.39696 35.229 3.98153 GPRESSAVG: 2065200 -33.8529 -74.9459 -9.72098 -77.2402 30.3592 33.9879 -8.93658 34.7422 2.56747 TIMING: 2065200 CPU: 6513.65, 0.00317496/step Wall: 6513.65, 0.00317496/step, 2.58829 hours remaining, 238.351562 MB of memory in use. ENERGY: 2065200 4001.9954 20342.3625 14594.3834 237.3250 -203502.0243 2702.5820 0.0000 0.0000 52094.0163 -109529.3598 299.3850 -161623.3761 -109172.6766 298.4217 166.4515 195.0330 762001.5400 -0.2148 -0.3088 PRESSURE: 2065400 -332.897 43.0542 76.54 43.0541 44.6469 15.2331 76.5407 15.2333 -593.955 GPRESSURE: 2065400 -249.146 -2.87992 95.4382 -32.9156 9.43655 1.50299 61.3411 136.145 -561.135 PRESSAVG: 2065400 21.1721 -40.0108 18.3441 -40.0108 -11.5033 -47.2982 18.3441 -47.2982 -2.36076 GPRESSAVG: 2065400 21.2368 -40.4942 17.6222 -39.7887 -12.5072 -45.3533 18.217 -48.5141 -1.28876 TIMING: 2065400 CPU: 6514.28, 0.00317614/step Wall: 6514.28, 0.00317614/step, 2.58909 hours remaining, 238.351562 MB of memory in use. ENERGY: 2065400 4024.4179 20571.9630 14499.0513 230.6880 -203570.0249 2609.5848 0.0000 0.0000 51860.5736 -109773.7462 298.0434 -161634.3199 -109427.6294 298.9840 -294.0683 -266.9481 762461.0927 2.4360 2.4803 PRESSURE: 2065600 22.706 -148.707 198.668 -148.707 116.425 169.496 198.668 169.496 -49.5215 GPRESSURE: 2065600 65.5159 -131.407 190.41 -125.593 118.813 176.802 11.8045 128.908 -11.1607 PRESSAVG: 2065600 -5.67016 6.18496 -4.22889 6.18502 -6.35887 -15.4546 -4.22887 -15.4547 0.880602 GPRESSAVG: 2065600 -7.42287 6.13697 -2.7676 7.99297 -4.73378 -17.8563 -4.63448 -13.9433 0.310857 TIMING: 2065600 CPU: 6514.92, 0.00319652/step Wall: 6514.92, 0.00319652/step, 2.60552 hours remaining, 238.351562 MB of memory in use. ENERGY: 2065600 4002.0068 20410.0892 14576.0405 239.6955 -203666.8163 2602.9097 0.0000 0.0000 51779.2113 -110056.8634 297.5758 -161836.0747 -109701.1345 298.4809 29.8698 57.7228 761444.6860 -3.7161 -3.9486 PRESSURE: 2065800 -149.815 -75.696 151.27 -75.6957 -548.286 -156.197 151.27 -156.197 -208.924 GPRESSURE: 2065800 -47.8798 -126.974 243.134 -75.5545 -524.109 -168.468 217.262 -206.898 -244.08 PRESSAVG: 2065800 27.5713 -31.5454 8.69332 -31.5454 -31.5523 15.453 8.69335 15.453 9.80847 GPRESSAVG: 2065800 28.1542 -32.6635 8.00755 -32.6632 -32.3816 16.9119 8.90822 14.7252 10.7189 TIMING: 2065800 CPU: 6515.56, 0.00318375/step Wall: 6515.56, 0.00318375/step, 2.59494 hours remaining, 238.351562 MB of memory in use. ENERGY: 2065800 4007.4664 20332.0550 14578.4683 240.8718 -203532.1305 2394.2457 0.0000 0.0000 51936.7810 -110042.2423 298.4814 -161979.0233 -109678.1554 298.4419 -302.3418 -272.0230 761087.4591 1.9425 2.1639 PRESSURE: 2066000 196.113 -42.1152 -27.9052 -42.1157 80.8349 94.3705 -27.9047 94.3718 163.009 GPRESSURE: 2066000 292.073 -14.4917 -104.099 -0.0882529 83.0622 103.265 25.8204 -19.1559 142.425 PRESSAVG: 2066000 26.2068 26.4522 16.0744 26.4522 -36.1377 8.7197 16.0744 8.71964 -22.5279 GPRESSAVG: 2066000 25.9347 27.3685 17.062 25.9109 -35.0512 6.83154 15.4822 8.24489 -22.6889 TIMING: 2066000 CPU: 6516.2, 0.00320049/step Wall: 6516.2, 0.00320049/step, 2.6084 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2066000 4001.7658 20628.1986 14499.8916 248.8830 -203663.2360 2534.3841 0.0000 0.0000 51808.0228 -109942.0900 297.7414 -161750.1129 -109582.2183 297.8955 146.6522 172.5202 760174.5974 -10.8196 -10.6018 PRESSURE: 2066200 493.015 -231.74 99.4451 -231.74 184.625 -32.2986 99.4458 -32.2988 -60.669 GPRESSURE: 2066200 450.096 -33.9331 128.36 -213.798 294.478 -108.077 29.7187 23.9532 -48.0264 PRESSAVG: 2066200 40.2836 21.9165 80.5171 21.9165 -30.8663 47.708 80.517 47.7079 7.40544 GPRESSAVG: 2066200 39.303 22.7452 78.342 21.5709 -31.9268 47.4448 82.322 48.2816 8.86077 TIMING: 2066200 CPU: 6516.83, 0.00317405/step Wall: 6516.83, 0.00317405/step, 2.58667 hours remaining, 238.351562 MB of memory in use. ENERGY: 2066200 3934.5599 20498.0289 14516.0429 248.1634 -203767.6350 2835.8870 0.0000 0.0000 51791.4532 -109943.4996 297.6462 -161734.9528 -109576.5321 298.4736 205.6569 232.1825 757718.9867 5.6076 5.4123 PRESSURE: 2066400 54.4039 187.372 -192.65 187.372 -127.642 -52.6405 -192.65 -52.6383 -91.6511 GPRESSURE: 2066400 47.682 147.175 -196.269 213.686 -82.3242 -34.5274 -65.2398 30.7666 -43.2386 PRESSAVG: 2066400 -9.1447 69.7357 67.9938 69.7357 26.5911 26.1482 67.9937 26.1483 14.5769 GPRESSAVG: 2066400 -8.30505 68.4707 68.9074 69.6864 26.1958 26.907 65.943 27.8749 14.0351 TIMING: 2066400 CPU: 6517.47, 0.00316997/step Wall: 6517.47, 0.00316997/step, 2.58317 hours remaining, 238.351562 MB of memory in use. ENERGY: 2066400 4025.6452 20658.0544 14542.0721 274.3344 -203657.9284 2505.8319 0.0000 0.0000 51979.0386 -109672.9518 298.7242 -161651.9903 -109317.0540 298.5634 -54.9631 -25.9603 760005.6118 10.6744 10.6419 PRESSURE: 2066600 -52.2187 -64.1623 -122.341 -64.162 -433.164 -7.79637 -122.342 -7.79637 163.62 GPRESSURE: 2066600 21.9642 -62.6773 -164.599 -72.802 -329.473 -76.7936 -131.769 90.063 72.2218 PRESSAVG: 2066600 28.5152 11.3174 8.9806 11.3174 -25.11 71.7591 8.98062 71.7591 6.49518 GPRESSAVG: 2066600 28.0395 13.0095 7.69202 10.6569 -24.0895 73.0425 10.3893 69.0504 5.72762 TIMING: 2066600 CPU: 6518.1, 0.00314247/step Wall: 6518.1, 0.00314247/step, 2.56059 hours remaining, 238.351562 MB of memory in use. ENERGY: 2066600 3957.3996 20638.9505 14543.2504 244.2522 -203185.5590 2459.2298 0.0000 0.0000 52004.9919 -109337.4844 298.8734 -161342.4764 -108968.5322 299.6026 -107.2543 -78.4291 761990.1691 3.3001 3.2259 PRESSURE: 2066800 184.806 -61.1762 -22.0218 -61.1767 69.3529 143.766 -22.0219 143.765 -120.999 GPRESSURE: 2066800 278.774 -79.6291 32.4742 -170.796 36.4455 135.67 -64.1413 93.1652 -93.9702 PRESSAVG: 2066800 3.58744 -59.2832 7.43643 -59.2832 -30.1888 24.8785 7.43646 24.8785 -7.13119 GPRESSAVG: 2066800 3.18906 -63.5689 10.3054 -56.3016 -31.4291 25.3585 6.00092 26.338 -5.50866 TIMING: 2066800 CPU: 6518.73, 0.0031747/step Wall: 6518.73, 0.0031747/step, 2.58667 hours remaining, 238.351562 MB of memory in use. ENERGY: 2066800 3921.6851 20549.4669 14517.7253 242.6610 -203392.1611 2509.4555 0.0000 0.0000 52106.4076 -109544.7598 299.4562 -161651.1673 -109184.0964 299.5095 44.3864 73.7497 760171.4254 -11.2442 -11.2496 PRESSURE: 2067000 -236.796 -69.8101 -19.9528 -69.8098 80.6837 126.668 -19.9535 126.668 -307.358 GPRESSURE: 2067000 -133.891 -42.2529 -26.9117 17.9516 87.9909 8.5263 -25.8864 170.657 -327.408 PRESSAVG: 2067000 -17.0777 7.06591 15.7905 7.06593 -5.1407 94.268 15.7904 94.268 -3.02115 GPRESSAVG: 2067000 -15.6005 8.94928 14.5277 5.7984 -5.37281 93.0934 16.6965 93.8162 -3.86798 TIMING: 2067000 CPU: 6519.37, 0.00319871/step Wall: 6519.37, 0.00319871/step, 2.60606 hours remaining, 238.351562 MB of memory in use. ENERGY: 2067000 4003.0570 20439.8528 14447.9621 231.4363 -203318.3673 2255.2635 0.0000 0.0000 52315.0152 -109625.7803 300.6551 -161940.7956 -109255.5674 299.4325 -154.4899 -124.4359 761979.6348 -8.4132 -8.2804 PRESSURE: 2067200 137.131 -61.2499 432.25 -61.2495 -73.8585 116.901 432.25 116.902 -0.592812 GPRESSURE: 2067200 153.119 4.88033 410.981 -3.25314 -40.6601 151.313 314.378 201.694 32.6642 PRESSAVG: 2067200 38.2125 -87.7713 11.4749 -87.7714 -44.8384 14.6746 11.4749 14.6746 -0.271375 GPRESSAVG: 2067200 37.8152 -89.3865 11.7246 -87.0015 -43.5608 13.447 9.82756 15.8526 -1.44116 TIMING: 2067200 CPU: 6520, 0.0031456/step Wall: 6520, 0.0031456/step, 2.56262 hours remaining, 238.351562 MB of memory in use. ENERGY: 2067200 3978.5577 20439.5094 14537.5060 240.2624 -203690.0884 2787.1363 0.0000 0.0000 52016.1548 -109690.9618 298.9376 -161707.1166 -109324.4492 299.0064 20.8931 48.3744 759478.3545 -2.2991 -2.3956 PRESSURE: 2067400 -314.661 -40.2361 0.0985719 -40.235 90.6268 -37.7043 0.0981896 -37.7047 257.024 GPRESSURE: 2067400 -363.63 118.671 -22.7106 -113.108 189.265 40.239 110.544 -84.0911 294.396 PRESSAVG: 2067400 23.898 -79.1241 60.7317 -79.1241 26.2288 47.3299 60.7317 47.3299 7.69407 GPRESSAVG: 2067400 23.9152 -77.8054 60.5934 -80.1818 24.8532 46.9468 60.64 46.1068 9.2906 TIMING: 2067400 CPU: 6520.63, 0.00316361/step Wall: 6520.63, 0.00316361/step, 2.57711 hours remaining, 238.351562 MB of memory in use. ENERGY: 2067400 3930.0371 20444.1910 14488.8361 239.0951 -203402.0571 2513.5207 0.0000 0.0000 51884.1577 -109902.2194 298.1790 -161786.3772 -109546.5668 298.7113 10.9964 40.0101 760076.3657 19.2736 19.3530 PRESSURE: 2067600 -340.693 174.757 128.632 174.757 -184.145 115.882 128.632 115.882 -293.983 GPRESSURE: 2067600 -204.091 82.9242 171.184 234.709 -262.269 -2.35208 196.044 65.916 -265.589 PRESSAVG: 2067600 56.6991 5.22987 11.8144 5.22981 -65.7273 36.4606 11.8144 36.4607 -5.69469 GPRESSAVG: 2067600 56.4524 6.29856 12.347 3.3291 -63.0782 36.6085 14.2218 37.7219 -7.72247 TIMING: 2067600 CPU: 6521.26, 0.00314524/step Wall: 6521.26, 0.00314523/step, 2.56197 hours remaining, 238.351562 MB of memory in use. ENERGY: 2067600 3994.3213 20433.5677 14450.2932 247.9544 -203493.6722 2478.5704 0.0000 0.0000 51918.4613 -109970.5039 298.3761 -161888.9652 -109601.5839 298.6253 -272.9403 -243.9831 759830.7880 -4.9076 -4.7828 PRESSURE: 2067800 -4.79047 84.1242 162.255 84.1244 97.4142 -16.3766 162.255 -16.3765 13.0891 GPRESSURE: 2067800 54.772 90.3881 155.163 145.401 6.78498 8.94347 118.279 -93.5193 139.278 PRESSAVG: 2067800 46.183 50.043 3.52271 50.043 -40.2695 29.2094 3.52271 29.2094 -19.3355 GPRESSAVG: 2067800 46.4866 49.579 4.12639 51.4933 -42.249 29.9607 0.114738 27.1963 -17.9649 TIMING: 2067800 CPU: 6521.9, 0.00318323/step Wall: 6521.9, 0.00318323/step, 2.59274 hours remaining, 238.351562 MB of memory in use. ENERGY: 2067800 3939.0971 20268.7807 14439.5585 238.7740 -203999.5245 2989.3412 0.0000 0.0000 51994.1661 -110129.8069 298.8112 -162123.9730 -109765.4371 298.0793 35.2376 66.9451 760828.6691 -4.4740 -4.5757 PRESSURE: 2068000 127.511 -94.4457 106.207 -94.4461 92.6189 -93.4384 106.206 -93.4386 12.9461 GPRESSURE: 2068000 149.37 6.40201 110.892 -84.912 97.6334 -35.0818 83.5056 -4.75331 69.7271 PRESSAVG: 2068000 12.1511 -36.1658 5.1154 -36.1658 -11.427 -10.0254 5.11543 -10.0254 23.6626 GPRESSAVG: 2068000 12.1963 -35.0253 2.51294 -35.0917 -11.5735 -9.03759 7.10818 -8.5767 23.7529 TIMING: 2068000 CPU: 6522.53, 0.0031727/step Wall: 6522.53, 0.0031727/step, 2.58399 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2068000 3899.5567 20419.8965 14479.4470 256.2413 -203638.0599 2789.2247 0.0000 0.0000 51906.1620 -109887.5316 298.3054 -161793.6936 -109532.8514 298.4511 77.6921 105.5768 760206.5599 8.1289 8.1252 PRESSURE: 2068200 -178.254 -76.4305 1.21556 -76.4316 -130.791 191.714 1.21435 191.714 -419.907 GPRESSURE: 2068200 -114.096 -75.9742 20.9956 1.62865 -81.7969 233.219 190.312 101.814 -438.639 PRESSAVG: 2068200 101.232 -41.1472 51.0702 -41.1472 -120.75 36.4667 51.0702 36.4667 13.7776 GPRESSAVG: 2068200 100.6 -44.3048 51.6241 -43.3698 -119.614 35.5998 50.3888 34.6457 12.5293 TIMING: 2068200 CPU: 6523.17, 0.00318236/step Wall: 6523.17, 0.00318236/step, 2.59168 hours remaining, 238.351562 MB of memory in use. ENERGY: 2068200 3917.6964 20468.0091 14423.2089 228.7825 -202942.1764 2113.9701 0.0000 0.0000 51888.0630 -109902.4464 298.2014 -161790.5094 -109534.2608 298.1695 -242.9840 -211.5106 762669.1223 -1.9135 -2.1616 LDB: ============= START OF LOAD BALANCING ============== 6535.57 LDB: ============== END OF LOAD BALANCING =============== 6535.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6535.57 LDB: ============= START OF LOAD BALANCING ============== 6535.9 LDB: Largest compute 7034 load 0.034515 is 17.6% of average load 0.195997 LDB: Average compute 0.004413 is 2.3% of average load 0.195997 LDB: TIME 6535.9 LOAD: AVG 0.195997 MAX 0.214628 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 6535.9 LOAD: AVG 0.195997 MAX 0.214628 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.664 MB LDB: TIME 6535.9 LOAD: AVG 0.195997 MAX 0.214628 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.664 MB LDB: ============== END OF LOAD BALANCING =============== 6535.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6535.91 PRESSURE: 2068400 152.842 140.304 -210.244 140.305 405.424 130.911 -210.245 130.911 3.52292 GPRESSURE: 2068400 177.499 183.324 -138.955 89.0178 411.104 123.826 -160.416 -70.7659 61.7832 PRESSAVG: 2068400 -11.0085 -7.29031 44.5568 -7.29038 1.77868 17.5217 44.5567 17.5218 -4.00534 GPRESSAVG: 2068400 -9.86716 -5.228 46.4283 -7.40092 0.709113 17.5085 45.8286 19.8466 -3.73856 TIMING: 2068400 CPU: 6523.83, 0.00328887/step Wall: 6523.83, 0.00328887/step, 2.67824 hours remaining, 237.636719 MB of memory in use. ENERGY: 2068400 3948.2562 20337.3950 14456.4759 247.5798 -203554.0934 2764.1109 0.0000 0.0000 52082.0961 -109718.1796 299.3165 -161800.2757 -109349.4470 298.3483 187.2630 216.7955 760860.5834 -4.4117 -4.2989 PRESSURE: 2068600 183.032 134.761 -191.815 134.761 -94.3939 -100.959 -191.816 -100.959 362.703 GPRESSURE: 2068600 209.088 155.762 -92.3893 122.632 -29.5357 -46.6752 -189.317 -182.152 341.629 PRESSAVG: 2068600 18.9222 1.36216 -33.0323 1.36213 -15.7223 0.740513 -33.0323 0.740503 -5.08474 GPRESSAVG: 2068600 18.0214 2.77859 -33.3993 3.11057 -14.7944 -0.797124 -32.5684 -0.101338 -5.89258 TIMING: 2068600 CPU: 6524.46, 0.0031813/step Wall: 6524.46, 0.0031813/step, 2.59046 hours remaining, 237.636719 MB of memory in use. ENERGY: 2068600 3990.1881 20502.8430 14495.4648 261.0496 -203565.1868 2801.7530 0.0000 0.0000 51745.5357 -109768.3528 297.3823 -161513.8884 -109421.7734 298.6000 150.4470 173.7272 760398.5268 -0.6283 -0.8885 PRESSURE: 2068800 122.951 41.7128 110.673 41.7122 -168.876 39.2576 110.673 39.2578 39.6578 GPRESSURE: 2068800 37.7523 25.2619 145.798 51.9661 -114.906 -14.3442 187.651 -12.6609 150.222 PRESSAVG: 2068800 35.5935 9.44443 -10.2963 9.44445 -11.855 -48.473 -10.2963 -48.4731 -5.09711 GPRESSAVG: 2068800 34.9878 8.11613 -11.2956 8.01305 -12.8416 -46.6235 -10.3745 -48.381 -3.06436 TIMING: 2068800 CPU: 6525.1, 0.00318201/step Wall: 6525.1, 0.00318201/step, 2.59087 hours remaining, 237.636719 MB of memory in use. ENERGY: 2068800 3926.4903 20458.6046 14434.7243 275.4200 -203324.9358 2432.9235 0.0000 0.0000 52210.6133 -109586.1598 300.0551 -161796.7731 -109215.9372 299.1991 -2.0891 24.3562 760852.9152 6.2138 6.3606 PRESSURE: 2069000 24.5084 53.0706 135.061 53.0711 169.194 155.336 135.06 155.337 185.122 GPRESSURE: 2069000 62.0317 146.078 75.3489 131.762 240.047 42.2967 13.9253 162.14 175.417 PRESSAVG: 2069000 7.21394 -6.1765 -5.77265 -6.17651 -27.1822 28.748 -5.77255 28.748 18.1606 GPRESSAVG: 2069000 7.39097 -4.74448 -4.95497 -5.55128 -25.1173 28.606 -7.1927 26.8901 15.8382 TIMING: 2069000 CPU: 6525.74, 0.00318437/step Wall: 6525.74, 0.00318437/step, 2.59261 hours remaining, 237.636719 MB of memory in use. ENERGY: 2069000 3921.4962 20579.8619 14613.3099 264.5414 -203425.8030 2780.0169 0.0000 0.0000 51959.8189 -109306.7579 298.6138 -161266.5768 -108962.1914 299.0912 126.2748 159.1652 760829.1221 -0.6025 -0.6294 PRESSURE: 2069200 -62.6668 -179.883 -127.705 -179.883 54.1514 -32.0261 -127.705 -32.027 -273.524 GPRESSURE: 2069200 -12.9479 -243.466 -120.618 -152.093 25.7172 29.9008 9.8329 -107.409 -207.239 PRESSAVG: 2069200 2.67368 -59.4283 29.4975 -59.4283 2.62678 15.227 29.4974 15.227 20.4436 GPRESSAVG: 2069200 3.79377 -60.5306 28.671 -60.4197 -0.860535 14.0121 30.2624 16.3865 22.1784 TIMING: 2069200 CPU: 6526.37, 0.00319502/step Wall: 6526.37, 0.00319502/step, 2.6011 hours remaining, 237.636719 MB of memory in use. ENERGY: 2069200 4033.8874 20495.3713 14493.3223 246.4689 -202859.7192 2115.5988 0.0000 0.0000 52236.8379 -109238.2326 300.2058 -161475.0704 -108878.4356 299.7196 -94.0132 -64.8231 759767.0768 8.5814 8.3705 PRESSURE: 2069400 -200.302 -336.528 208.874 -336.528 -194.599 21.4075 208.874 21.4072 -232.471 GPRESSURE: 2069400 -245.335 -188.264 163.99 -338.678 -104.767 3.41876 166.899 66.5077 -203.708 PRESSAVG: 2069400 57.8837 -44.4097 -22.2836 -44.4096 -61.8916 28.7165 -22.2836 28.7165 -3.93248 GPRESSAVG: 2069400 57.8827 -44.9801 -21.802 -44.7927 -60.6339 30.0536 -21.5571 29.8474 -5.44193 TIMING: 2069400 CPU: 6527.02, 0.00321708/step Wall: 6527.02, 0.00321708/step, 2.61888 hours remaining, 237.636719 MB of memory in use. ENERGY: 2069400 4022.0290 20617.3782 14489.9325 248.9190 -203116.9360 2349.1463 0.0000 0.0000 51971.1473 -109418.3837 298.6789 -161389.5311 -109057.1394 299.3530 -209.1238 -184.6036 760124.1459 -2.6468 -2.7311 PRESSURE: 2069600 164.16 -16.3783 -0.161385 -16.3783 247.857 133.442 -0.161034 133.443 -397.462 GPRESSURE: 2069600 255.342 -30.9068 6.77707 21.6396 182.874 173.587 -5.12729 114.592 -317.4 PRESSAVG: 2069600 60.8277 -34.6519 76.1519 -34.6519 16.8489 33.4095 76.1519 33.4095 -8.40222 GPRESSAVG: 2069600 58.5906 -33.8307 76.9768 -34.3483 18.5421 32.6834 75.238 32.9945 -8.25261 TIMING: 2069600 CPU: 6527.66, 0.00322509/step Wall: 6527.66, 0.00322509/step, 2.62522 hours remaining, 237.636719 MB of memory in use. ENERGY: 2069600 4025.8578 20457.6737 14505.9464 263.7104 -203134.4282 2326.5973 0.0000 0.0000 51965.9384 -109588.7041 298.6490 -161554.6425 -109228.7185 298.6959 4.8518 40.2722 759099.9331 23.0915 22.9600 PRESSURE: 2069800 6.38897 -193.575 -240.073 -193.574 49.7051 -11.626 -240.072 -11.6254 236.776 GPRESSURE: 2069800 63.1299 -246.203 -284.003 -163.82 70.5752 -16.8236 -220.223 -54.7163 238.827 PRESSAVG: 2069800 -37.3745 -9.32835 28.0165 -9.32831 -3.62932 7.8291 28.0165 7.82912 8.6288 GPRESSAVG: 2069800 -37.2759 -9.5389 27.2017 -8.93043 -4.71732 7.55577 28.259 6.24953 8.81703 TIMING: 2069800 CPU: 6528.3, 0.00318083/step Wall: 6528.3, 0.00318083/step, 2.58902 hours remaining, 237.636719 MB of memory in use. ENERGY: 2069800 4090.6967 20706.4392 14504.7533 247.8451 -203644.5452 2679.7510 0.0000 0.0000 52069.3319 -109345.7280 299.2432 -161415.0599 -108986.2617 299.1910 97.6235 124.1775 758579.8562 -10.7917 -11.0587 PRESSURE: 2070000 -233.933 141.528 92.6944 141.529 295.702 387.432 92.6938 387.432 17.0401 GPRESSURE: 2070000 -117.9 208.779 154.954 129.865 209.202 392.924 74.8079 248.789 64.3208 PRESSAVG: 2070000 14.3755 -43.774 39.5334 -43.7739 -46.8627 -0.25845 39.5334 -0.258426 9.42072 GPRESSAVG: 2070000 15.9848 -44.9183 40.7689 -43.2577 -48.4825 0.602967 38.8765 0.257141 9.14639 TIMING: 2070000 CPU: 6528.94, 0.00321491/step Wall: 6528.94, 0.00321491/step, 2.61658 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2070000 3985.4621 20485.0739 14520.8321 242.2339 -203390.7347 2762.8222 0.0000 0.0000 51811.5091 -109582.8014 297.7615 -161394.3104 -109222.8405 299.2236 26.2698 51.8745 760924.6780 -7.6888 -7.7838 PRESSURE: 2070200 -144.214 -82.2727 -1.17477 -82.2724 -181.597 -62.3159 -1.17505 -62.3166 60.5053 GPRESSURE: 2070200 -49.1655 -51.925 9.22044 -111.656 -159.8 -49.0656 27.9124 0.626851 36.6397 PRESSAVG: 2070200 -35.2417 1.20047 40.8461 1.20039 13.0725 12.6116 40.8461 12.6116 -1.15871 GPRESSAVG: 2070200 -35.496 1.004 41.2054 2.94834 12.9532 10.7032 41.7073 13.7262 -0.321396 TIMING: 2070200 CPU: 6529.57, 0.00316004/step Wall: 6529.57, 0.00316004/step, 2.57174 hours remaining, 237.636719 MB of memory in use. ENERGY: 2070200 4030.2243 20445.0718 14434.2511 235.1963 -203491.0311 2583.2049 0.0000 0.0000 51846.2153 -109916.8674 297.9609 -161763.0827 -109555.1379 298.8927 -88.4354 -57.4420 761389.6747 -7.7760 -7.6214 PRESSURE: 2070400 -233.85 58.9498 -99.3139 58.9485 -186.967 -124.893 -99.3146 -124.893 -132.682 GPRESSURE: 2070400 -233.925 56.4507 -136.424 -10.0564 -74.1537 -173.59 -66.4191 38.6951 -135.403 PRESSAVG: 2070400 -12.8572 5.10877 -22.8292 5.10876 58.1022 8.06105 -22.8292 8.06105 13.5747 GPRESSAVG: 2070400 -13.1852 7.74465 -22.9853 2.28136 60.4398 8.41163 -22.0428 9.50108 11.9072 TIMING: 2070400 CPU: 6530.21, 0.00319468/step Wall: 6530.21, 0.00319468/step, 2.59976 hours remaining, 237.636719 MB of memory in use. ENERGY: 2070400 3964.4919 20523.9207 14525.0691 256.8139 -203365.6164 2508.8454 0.0000 0.0000 51765.3143 -109821.1612 297.4960 -161586.4755 -109460.8890 298.2542 -184.4999 -147.8272 759644.2779 19.6066 19.7206 PRESSURE: 2070600 240.066 -243.774 -46.6676 -243.774 -71.9497 -18.7495 -46.6677 -18.7492 -51.3221 GPRESSURE: 2070600 220.318 -239.186 -74.6728 -177.718 55.911 87.9986 -68.3272 -74.5915 -76.0342 PRESSAVG: 2070600 4.91775 38.7298 7.98648 38.7298 32.6726 -25.4262 7.98649 -25.4262 -1.53708 GPRESSAVG: 2070600 4.55516 37.8539 6.34125 41.2207 32.8287 -24.8284 7.03563 -28.3616 -1.11423 TIMING: 2070600 CPU: 6530.85, 0.0032046/step Wall: 6530.85, 0.0032046/step, 2.60765 hours remaining, 237.636719 MB of memory in use. ENERGY: 2070600 3939.3312 20484.6025 14540.7101 253.7312 -203465.0844 2339.9422 0.0000 0.0000 52216.3878 -109690.3795 300.0883 -161906.7673 -109317.9483 298.3987 38.9314 66.7317 761501.8455 12.0177 12.0899 PRESSURE: 2070800 35.0634 -121.284 254.756 -121.284 -145.98 61.1256 254.756 61.1255 87.9449 GPRESSURE: 2070800 57.6895 -148.377 285.677 -110.937 -129.933 41.213 249.925 239.185 149.115 PRESSAVG: 2070800 5.59399 -15.0488 -25.0436 -15.0488 10.7044 -49.9302 -25.0436 -49.9302 10.857 GPRESSAVG: 2070800 5.61802 -15.92 -25.3154 -15.7526 9.47248 -49.1131 -23.7392 -51.1812 12.2614 TIMING: 2070800 CPU: 6531.49, 0.00319237/step Wall: 6531.49, 0.00319236/step, 2.59752 hours remaining, 237.636719 MB of memory in use. ENERGY: 2070800 4022.2553 20378.8494 14529.1437 240.3410 -203617.2257 2680.9658 0.0000 0.0000 52084.2174 -109681.4530 299.3287 -161765.6705 -109320.6743 299.2460 -7.6574 25.6240 761848.1050 9.0518 9.1173 PRESSURE: 2071000 381.401 -114.539 -159.042 -114.539 -160.203 188.385 -159.043 188.385 173.611 GPRESSURE: 2071000 376.182 -112.648 -158.832 -151.322 -96.9402 191.551 -105.84 126.986 206.255 PRESSAVG: 2071000 64.7909 -55.1436 40.6869 -55.1437 -68.1406 3.39592 40.6869 3.39583 -18.3416 GPRESSAVG: 2071000 66.0549 -55.7101 41.9053 -57.3158 -68.287 2.70216 39.8896 4.7773 -19.3053 TIMING: 2071000 CPU: 6532.13, 0.00319303/step Wall: 6532.13, 0.00319303/step, 2.59789 hours remaining, 237.636719 MB of memory in use. ENERGY: 2071000 3959.7907 20413.4974 14433.4792 252.7872 -203530.0518 2701.3263 0.0000 0.0000 52077.8670 -109691.3040 299.2922 -161769.1710 -109328.3154 298.8963 131.6033 161.8323 761334.5902 -7.2304 -7.1791 PRESSURE: 2071200 -34.2556 -58.7826 -200.316 -58.7827 86.8271 175.297 -200.317 175.297 39.1153 GPRESSURE: 2071200 46.9361 -61.7018 -222.1 -36.2746 151.848 84.6719 -85.5159 101.89 -8.05463 PRESSAVG: 2071200 81.0644 -33.1518 23.4535 -33.1518 -61.9889 23.6566 23.4534 23.6566 -4.70517 GPRESSAVG: 2071200 80.9663 -33.4533 21.8319 -30.2931 -61.3674 23.2227 24.3456 23.0843 -4.63254 TIMING: 2071200 CPU: 6532.77, 0.0032125/step Wall: 6532.77, 0.0032125/step, 2.61355 hours remaining, 237.636719 MB of memory in use. ENERGY: 2071200 4048.6676 20499.6305 14413.9734 253.3595 -202999.6090 2386.6224 0.0000 0.0000 51857.5505 -109539.8051 298.0261 -161397.3556 -109181.2769 299.0263 30.5622 63.5763 761284.5122 4.7901 4.9888 PRESSURE: 2071400 405.719 272.91 -93.4399 272.91 -136.623 -138.145 -93.4398 -138.145 62.9818 GPRESSURE: 2071400 395.306 278.394 -193.565 150.642 -85.6763 -163.855 -43.0535 -69.2967 95.5733 PRESSAVG: 2071400 69.8156 -65.2317 14.6985 -65.2317 -39.7241 62.6356 14.6986 62.6356 -0.229157 GPRESSAVG: 2071400 69.8167 -62.0755 16.8594 -68.5687 -39.3542 62.7912 14.7741 62.6411 -0.673715 TIMING: 2071400 CPU: 6533.41, 0.00320134/step Wall: 6533.41, 0.00320134/step, 2.60429 hours remaining, 237.636719 MB of memory in use. ENERGY: 2071400 3986.3437 20492.5473 14523.6968 239.0584 -203651.9764 2880.3534 0.0000 0.0000 52094.9033 -109435.0734 299.3901 -161529.9767 -109077.0917 299.2027 110.6926 135.0676 761211.1658 9.9541 9.9296 PRESSURE: 2071600 187.149 196.484 11.8408 196.484 66.132 -238.002 11.8406 -238.002 -125.447 GPRESSURE: 2071600 183.826 112.237 37.4579 37.8665 65.1017 -316.512 40.5849 -194.029 -64.3143 PRESSAVG: 2071600 46.2092 -38.6173 46.4376 -38.6174 -55.1425 39.5609 46.4376 39.561 1.44907 GPRESSAVG: 2071600 44.8403 -39.7944 46.479 -38.9785 -54.7705 37.9284 44.7535 43.1281 2.30565 TIMING: 2071600 CPU: 6534.06, 0.00320533/step Wall: 6534.06, 0.00320533/step, 2.60736 hours remaining, 237.636719 MB of memory in use. ENERGY: 2071600 3966.1100 20678.3239 14552.8305 258.8312 -203403.6029 2897.6442 0.0000 0.0000 51775.3705 -109274.4926 297.5538 -161049.8631 -108922.0459 299.1936 42.6116 61.5376 761712.4938 -2.4948 -2.5415 PRESSURE: 2071800 164.35 -84.6863 120.844 -84.6857 -281.037 28.7541 120.842 28.7542 -16.7678 GPRESSURE: 2071800 235.818 -207.61 148.605 -40.472 -318.181 6.04004 112.492 -45.4482 36.065 PRESSAVG: 2071800 37.0645 -54.8393 14.6334 -54.8393 -31.6706 56.4169 14.6334 56.4169 -17.4045 GPRESSAVG: 2071800 38.1068 -57.1295 13.8179 -54.2618 -31.651 57.0946 14.9003 56.8333 -18.6121 TIMING: 2071800 CPU: 6534.69, 0.00316994/step Wall: 6534.69, 0.00316994/step, 2.5784 hours remaining, 237.636719 MB of memory in use. ENERGY: 2071800 4041.6572 20391.3947 14584.7817 242.9003 -203543.2686 2746.3128 0.0000 0.0000 52176.7226 -109359.4994 299.8603 -161536.2220 -108983.9231 299.5521 -44.4851 -15.4325 762861.5768 -4.0035 -4.0521 PRESSURE: 2072000 -400.966 18.1837 113.625 18.1835 151.262 188.132 113.625 188.131 6.27723 GPRESSURE: 2072000 -277.932 -45.1023 -53.0102 30.9638 87.8478 138.914 153.169 126.082 59.5738 PRESSAVG: 2072000 1.07107 -84.9218 20.6626 -84.9218 -21.2454 -35.6139 20.6627 -35.6138 9.70803 GPRESSAVG: 2072000 2.08668 -83.0449 19.7317 -85.0318 -22.2348 -35.0724 20.7677 -37.9286 10.0863 TIMING: 2072000 CPU: 6535.32, 0.0031679/step Wall: 6535.32, 0.0031679/step, 2.57656 hours remaining, 237.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2072000 3988.3362 20427.5790 14567.9165 244.1095 -203163.6484 2377.3012 0.0000 0.0000 52021.1560 -109537.2499 298.9663 -161558.4059 -109182.8756 299.1569 -81.1421 -43.5035 760984.1534 -3.4888 -3.3539 PRESSURE: 2072200 137.477 -22.2387 -88.6128 -22.2386 23.4895 -91.1816 -88.6122 -91.1815 181.861 GPRESSURE: 2072200 130.3 -68.9365 -57.0148 -33.5634 106.195 -170.407 -77.7516 -20.6805 223.296 PRESSAVG: 2072200 22.5289 13.3426 24.6606 13.3426 -21.2509 13.9653 24.6607 13.9653 -2.25616 GPRESSAVG: 2072200 20.6576 13.6045 25.5614 12.0832 -20.3764 13.2917 25.2522 15.2089 -1.13742 TIMING: 2072200 CPU: 6535.96, 0.00317724/step Wall: 6535.96, 0.00317724/step, 2.58398 hours remaining, 237.636719 MB of memory in use. ENERGY: 2072200 4021.6641 20682.9260 14629.4448 240.5983 -203651.7036 2599.6495 0.0000 0.0000 52002.7365 -109474.6843 298.8604 -161477.4208 -109130.6801 299.2755 114.2760 153.2636 761388.3881 -0.3261 -0.2854 LDB: ============= START OF LOAD BALANCING ============== 6548.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6548.36 LDB: =============== DONE WITH MIGRATION ================ 6548.36 LDB: ============= START OF LOAD BALANCING ============== 6548.68 LDB: Largest compute 7034 load 0.034644 is 17.7% of average load 0.195962 LDB: Average compute 0.004405 is 2.2% of average load 0.195962 LDB: TIME 6548.69 LOAD: AVG 0.195962 MAX 0.216636 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.125 MB LDB: TIME 6548.69 LOAD: AVG 0.195962 MAX 0.216636 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.125 MB LDB: TIME 6548.69 LOAD: AVG 0.195962 MAX 0.216636 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.125 MB LDB: ============== END OF LOAD BALANCING =============== 6548.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6548.7 PRESSURE: 2072400 -149.92 -77.3614 -67.0728 -77.3611 -48.7058 140.939 -67.0728 140.94 235.237 GPRESSURE: 2072400 -61.3695 -183.346 7.09623 -252.014 -32.6937 65.5593 92.2542 226.815 200.483 PRESSAVG: 2072400 -40.6369 38.0897 59.1404 38.0897 15.5581 33.2321 59.1404 33.2321 8.14542 GPRESSAVG: 2072400 -38.3366 36.8794 56.926 39.4494 14.8186 33.9408 61.2219 31.8705 6.45185 TIMING: 2072400 CPU: 6536.61, 0.00327296/step Wall: 6536.61, 0.00327296/step, 2.66165 hours remaining, 237.839844 MB of memory in use. ENERGY: 2072400 4015.7036 20635.3913 14482.7298 247.9869 -203596.8153 2639.0271 0.0000 0.0000 51957.6711 -109618.3054 298.6014 -161575.9765 -109254.5600 299.1877 12.2038 35.4733 763305.8659 -5.6444 -5.6887 PRESSURE: 2072600 152.388 -108.42 29.6521 -108.42 517.737 -230.273 29.6519 -230.274 14.7245 GPRESSURE: 2072600 202.557 -49.5887 17.9948 -68.3862 517.136 -227.822 -43.5486 -177.809 57.5462 PRESSAVG: 2072600 32.2927 -23.2086 36.9689 -23.2086 -46.4218 -49.5977 36.9689 -49.5977 -17.8003 GPRESSAVG: 2072600 30.1875 -21.9749 37.9092 -22.9842 -46.1844 -48.843 35.3681 -49.5727 -16.7042 TIMING: 2072600 CPU: 6537.25, 0.00320982/step Wall: 6537.25, 0.00320982/step, 2.61012 hours remaining, 237.839844 MB of memory in use. ENERGY: 2072600 4044.0637 20459.8671 14510.1700 283.7203 -203699.3463 2642.7688 0.0000 0.0000 52208.6895 -109550.0668 300.0441 -161758.7563 -109185.1209 299.0601 228.2830 259.0799 759736.4444 -10.6431 -10.9003 PRESSURE: 2072800 173.859 314.189 70.8105 314.189 -375.23 22.6822 70.8097 22.6825 -155.564 GPRESSURE: 2072800 274.055 258.755 -12.943 167.573 -431.78 101.69 100.885 142.183 -115.345 PRESSAVG: 2072800 -24.9608 19.8495 8.33578 19.8494 34.4675 -21.4878 8.33577 -21.4878 -18.4327 GPRESSAVG: 2072800 -25.0396 19.2913 8.09715 19.7662 34.6223 -23.3863 7.15435 -19.6482 -18.8336 TIMING: 2072800 CPU: 6537.91, 0.00325155/step Wall: 6537.91, 0.00325155/step, 2.64387 hours remaining, 237.839844 MB of memory in use. ENERGY: 2072800 4039.4837 20682.3054 14504.2513 245.0522 -203399.2162 2556.4609 0.0000 0.0000 51943.4147 -109428.2480 298.5195 -161371.6627 -109079.1373 299.7156 -118.9783 -91.0235 758367.3298 -2.9753 -3.0836 PRESSURE: 2073000 -9.80185 -120.572 29.1531 -120.572 -273.92 -132.292 29.1547 -132.292 38.223 GPRESSURE: 2073000 -13.1091 -57.4823 73.1125 36.5589 -176.691 -106.296 -109.078 -273.603 40.4924 PRESSAVG: 2073000 24.1282 17.8274 43.381 17.8275 -6.11752 -79.7049 43.3811 -79.7048 -12.9589 GPRESSAVG: 2073000 25.0078 17.8601 43.0527 19.5559 -5.89947 -78.64 45.3818 -81.2439 -13.2345 TIMING: 2073000 CPU: 6538.55, 0.00320689/step Wall: 6538.55, 0.00320689/step, 2.60738 hours remaining, 237.839844 MB of memory in use. ENERGY: 2073000 3979.2896 20481.5727 14456.0753 250.0917 -203463.1569 2433.0743 0.0000 0.0000 52409.0721 -109453.9812 301.1957 -161863.0533 -109086.1031 299.8769 -81.8330 -49.7692 760716.4240 1.6839 1.9579 PRESSURE: 2073200 176.499 -30.7628 -194.172 -30.7626 50.3175 261.902 -194.171 261.902 -42.2738 GPRESSURE: 2073200 233.974 19.8659 -132.695 -98.4766 82.8427 267.704 -213.666 219.436 -29.3886 PRESSAVG: 2073200 19.9792 14.9701 -3.99159 14.9701 -56.5014 -14.3805 -3.99155 -14.3805 18.7477 GPRESSAVG: 2073200 20.326 13.8999 -2.63215 15.0672 -57.453 -14.5062 -4.32341 -15.3089 19.5427 TIMING: 2073200 CPU: 6539.19, 0.00321251/step Wall: 6539.19, 0.00321251/step, 2.61177 hours remaining, 237.839844 MB of memory in use. ENERGY: 2073200 3918.7850 20690.5523 14419.6781 239.7650 -203594.1210 2696.6791 0.0000 0.0000 51915.8394 -109712.8222 298.3610 -161628.6617 -109352.2577 299.5052 61.5141 95.8094 760901.9658 -5.9248 -5.8615 PRESSURE: 2073400 3.74263 65.0797 -22.5924 65.0794 -245.68 -290.41 -22.5927 -290.411 -56.709 GPRESSURE: 2073400 -0.430727 84.6138 -7.22512 61.1036 -207.206 -253.457 8.47765 -283.083 -17.8668 PRESSAVG: 2073400 34.4298 25.7619 -3.58933 25.7619 -31.8176 -34.9142 -3.58924 -34.9142 0.60061 GPRESSAVG: 2073400 32.9028 26.5077 -4.3539 23.1667 -31.4843 -34.5609 -4.38019 -32.8899 1.43017 TIMING: 2073400 CPU: 6539.83, 0.0031924/step Wall: 6539.83, 0.0031924/step, 2.59524 hours remaining, 237.839844 MB of memory in use. ENERGY: 2073400 4073.9556 20422.8868 14434.7490 239.8141 -203078.2699 2407.2432 0.0000 0.0000 51942.0349 -109557.5863 298.5116 -161499.6212 -109202.9706 298.8852 -99.5488 -75.1679 760641.5996 1.0709 0.9495 PRESSURE: 2073600 127.379 -8.00871 -71.4952 -8.00868 226.493 140.971 -71.4954 140.971 123.014 GPRESSURE: 2073600 206.024 -63.5314 -60.7769 73.3414 201.539 69.515 -127.092 219.428 128.843 PRESSAVG: 2073600 6.12329 -8.52339 11.2483 -8.52346 -39.8218 -63.9217 11.2483 -63.9216 -0.0917375 GPRESSAVG: 2073600 5.44485 -7.5983 10.2262 -6.95948 -39.5482 -64.3643 10.7882 -64.7742 -0.33976 TIMING: 2073600 CPU: 6540.47, 0.00318736/step Wall: 6540.47, 0.00318736/step, 2.59097 hours remaining, 237.839844 MB of memory in use. ENERGY: 2073600 3935.3940 20418.8053 14513.4790 233.2242 -203568.4647 2842.0929 0.0000 0.0000 52169.8092 -109455.6601 299.8206 -161625.4693 -109088.8056 298.8074 158.9621 178.8021 761489.3433 -11.2634 -11.4810 PRESSURE: 2073800 -460.34 59.7183 -68.1884 59.7184 137.962 -213.568 -68.1881 -213.568 -268.408 GPRESSURE: 2073800 -382.281 -9.19332 -15.3918 71.3454 133.162 -183.272 1.55856 -231.653 -255.577 PRESSAVG: 2073800 -44.2107 -9.11954 19.0712 -9.11952 -5.84384 -13.3251 19.0712 -13.3251 16.2865 GPRESSAVG: 2073800 -42.2938 -11.3832 19.5088 -8.59013 -7.02887 -13.521 18.9123 -13.9958 15.3661 TIMING: 2073800 CPU: 6541.1, 0.00318959/step Wall: 6541.1, 0.00318959/step, 2.59261 hours remaining, 237.839844 MB of memory in use. ENERGY: 2073800 3963.6147 20434.9086 14452.2899 236.3531 -203386.5113 2613.5939 0.0000 0.0000 52185.0510 -109500.7000 299.9082 -161685.7511 -109136.9181 299.4101 -196.9285 -168.2320 761973.4858 -11.2560 -11.3189 PRESSURE: 2074000 -15.7575 48.7945 -110.633 48.7954 -95.9433 -143.245 -110.633 -143.245 19.155 GPRESSURE: 2074000 -13.9695 91.4494 -126.382 157.48 -108.607 -189.596 -180.732 -314.875 118.96 PRESSAVG: 2074000 -25.5533 -3.11088 40.9299 -3.11085 20.0236 -7.35133 40.93 -7.35129 9.66989 GPRESSAVG: 2074000 -25.3544 -3.30004 41.0355 -4.44109 20.8732 -8.1834 42.8268 -8.44966 8.58997 TIMING: 2074000 CPU: 6541.74, 0.00319121/step Wall: 6541.74, 0.00319121/step, 2.59374 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2074000 3957.1370 20485.8078 14482.7383 236.5720 -203160.4479 2328.1020 0.0000 0.0000 52185.4274 -109484.6634 299.9104 -161670.0908 -109122.5966 299.6213 -30.8486 -1.2053 761415.2375 1.3801 1.3696 PRESSURE: 2074200 -379.562 -95.3579 157.398 -95.3578 146.85 76.6802 157.397 76.6805 -143.294 GPRESSURE: 2074200 -256.179 -53.1731 162.961 -139.93 85.7193 82.2596 129.882 85.2237 -133.33 PRESSAVG: 2074200 -3.32119 -26.52 10.0019 -26.52 -13.5296 -30.3984 10.0018 -30.3983 -0.518955 GPRESSAVG: 2074200 -5.12988 -27.0254 11.5906 -26.6295 -12.684 -31.2867 8.07224 -29.3662 0.774524 TIMING: 2074200 CPU: 6542.38, 0.00321108/step Wall: 6542.38, 0.00321108/step, 2.60971 hours remaining, 237.839844 MB of memory in use. ENERGY: 2074200 3888.1754 20488.3083 14456.5955 231.2379 -203156.0707 2439.6602 0.0000 0.0000 52058.8402 -109593.2532 299.1829 -161652.0934 -109237.6330 298.8539 -125.3355 -101.2634 762071.4449 -5.7899 -5.6798 PRESSURE: 2074400 363.985 -36.333 -120.844 -36.3323 -41.3722 -139.197 -120.843 -139.198 387.783 GPRESSURE: 2074400 413.732 -43.2686 -99.6326 124.638 -54.0856 -104.477 -101.198 21.0893 408.04 PRESSAVG: 2074400 20.3745 -8.84671 0.219419 -8.84671 -31.0441 -4.8055 0.219351 -4.80543 10.2722 GPRESSAVG: 2074400 23.0741 -8.81882 -0.147633 -6.87594 -33.2174 -3.65601 2.19124 -4.28079 9.85224 TIMING: 2074400 CPU: 6543.03, 0.00323217/step Wall: 6543.03, 0.00323217/step, 2.62667 hours remaining, 237.839844 MB of memory in use. ENERGY: 2074400 4007.1230 20485.2391 14415.4514 244.7937 -203316.2896 2535.6826 0.0000 0.0000 52164.9025 -109463.0972 299.7924 -161627.9997 -109116.4608 299.0286 236.7984 255.8953 759518.8414 -0.1325 -0.0970 PRESSURE: 2074600 -133.033 404.049 -64.5055 404.048 -551.18 -130.053 -64.5048 -130.054 -134.599 GPRESSURE: 2074600 -81.6711 297.215 -68.1611 254.033 -571.369 -131.171 13.1964 -146.076 -73.3988 PRESSAVG: 2074600 36.351 30.8974 0.846129 30.8974 -20.655 -30.4789 0.846151 -30.4789 -8.96333 GPRESSAVG: 2074600 33.0554 31.0292 -2.07346 29.0541 -19.174 -30.5238 1.35945 -31.5918 -7.2493 TIMING: 2074600 CPU: 6543.68, 0.00323495/step Wall: 6543.68, 0.00323495/step, 2.62875 hours remaining, 237.839844 MB of memory in use. ENERGY: 2074600 4047.2960 20595.1855 14434.5801 226.8515 -202800.6856 2016.6931 0.0000 0.0000 52081.3040 -109398.7756 299.3120 -161480.0796 -109042.0072 299.9090 -272.9371 -242.1463 761993.4375 2.2442 2.2107 PRESSURE: 2074800 -138.556 149.252 -61.2755 149.252 -201.732 14.2656 -61.2765 14.2657 -305.231 GPRESSURE: 2074800 -42.737 4.94078 -70.5116 4.76022 -214.51 32.0923 -34.2395 60.8662 -283.03 PRESSAVG: 2074800 48.6758 13.1287 40.0297 13.1287 -23.1479 15.3903 40.0296 15.3904 14.0884 GPRESSAVG: 2074800 50.3738 11.4266 41.7958 14.1964 -23.8572 14.3944 38.5306 17.2932 13.4303 TIMING: 2074800 CPU: 6544.32, 0.00323893/step Wall: 6544.32, 0.00323893/step, 2.63181 hours remaining, 237.839844 MB of memory in use. ENERGY: 2074800 4001.3645 20503.0152 14470.8608 240.9539 -203141.1421 2395.9868 0.0000 0.0000 51868.1805 -109660.7804 298.0871 -161528.9609 -109294.6368 299.0203 -215.1730 -180.0923 761951.0897 13.2054 13.3156 PRESSURE: 2075000 -71.2577 -40.3967 51.7781 -40.396 0.757544 59.7695 51.7792 59.7697 -86.3164 GPRESSURE: 2075000 3.38557 19.39 43.424 48.6437 14.8942 90.988 166.149 70.4959 -84.9507 PRESSAVG: 2075000 -39.5604 8.50456 15.7885 8.50456 -19.8211 6.4817 15.7884 6.48171 26.2865 GPRESSAVG: 2075000 -40.4515 11.9679 17.8895 6.94679 -19.7365 6.31945 15.6097 7.51165 27.142 TIMING: 2075000 CPU: 6544.96, 0.00319728/step Wall: 6544.96, 0.00319728/step, 2.59779 hours remaining, 237.839844 MB of memory in use. ENERGY: 2075000 3943.7821 20437.6989 14402.4348 250.4489 -203086.8925 2501.9563 0.0000 0.0000 52110.4593 -109440.1122 299.4795 -161550.5714 -109084.3369 299.4064 -52.2722 -22.2236 761690.7549 -11.0317 -11.0153 PRESSURE: 2075200 24.6197 -109.108 -95.1911 -109.108 -259.851 -41.9915 -95.1909 -41.9922 258.493 GPRESSURE: 2075200 -48.7394 -46.718 -85.512 -147.333 -240.439 6.34609 -9.31063 -95.2105 379.075 PRESSAVG: 2075200 -40.2567 16.2537 -30.2515 16.2536 46.8458 20.1151 -30.2515 20.1152 25.839 GPRESSAVG: 2075200 -39.239 14.2826 -30.9292 18.5007 46.7154 23.0349 -28.1809 17.6105 25.0273 TIMING: 2075200 CPU: 6545.6, 0.00319865/step Wall: 6545.6, 0.00319865/step, 2.59872 hours remaining, 237.839844 MB of memory in use. ENERGY: 2075200 4024.5017 20540.4991 14354.3945 248.4273 -203218.4013 2316.1970 0.0000 0.0000 52198.5202 -109535.8614 299.9856 -161734.3816 -109170.8747 299.5358 7.7539 29.9653 762151.8328 10.8094 10.8346 PRESSURE: 2075400 199.556 21.9978 -6.54746 21.9969 137.251 -293.042 -6.54856 -293.043 -58.1801 GPRESSURE: 2075400 91.5636 16.1232 53.1549 -84.1566 285.614 -277.176 -25.1411 -113.272 -8.19224 PRESSAVG: 2075400 -13.1012 33.2182 65.0648 33.2182 40.1182 -30.0334 65.0647 -30.0334 0.0661216 GPRESSAVG: 2075400 -13.5567 35.351 64.3176 30.8567 40.6161 -31.5269 63.6162 -28.6243 0.797596 TIMING: 2075400 CPU: 6546.25, 0.00322158/step Wall: 6546.25, 0.00322158/step, 2.61718 hours remaining, 237.839844 MB of memory in use. ENERGY: 2075400 4013.6760 20509.2220 14459.7074 254.6918 -203675.5569 2913.4698 0.0000 0.0000 52098.9041 -109425.8857 299.4131 -161524.7898 -109066.1817 299.3445 92.8758 122.9951 759924.7387 9.0277 9.2857 PRESSURE: 2075600 -148.121 -58.9226 175.517 -58.9226 117.699 19.0962 175.516 19.0954 536.579 GPRESSURE: 2075600 -106 -14.092 181.842 0.559719 92.6872 -57.5771 104.844 -16.3235 583.89 PRESSAVG: 2075600 -0.244972 -55.5055 8.59803 -55.5056 28.8728 -0.902831 8.598 -0.902881 -15.5886 GPRESSAVG: 2075600 0.802873 -55.078 9.38798 -54.717 26.9602 -0.391654 7.12284 -2.57029 -15.2185 TIMING: 2075600 CPU: 6546.89, 0.00319126/step Wall: 6546.89, 0.00319126/step, 2.59237 hours remaining, 237.839844 MB of memory in use. ENERGY: 2075600 3911.1503 20545.8990 14444.5619 247.9306 -202987.2453 2492.9229 0.0000 0.0000 51999.5205 -109345.2602 298.8420 -161344.7806 -108982.4542 299.4763 168.7192 190.1924 762188.9960 4.3464 4.1815 PRESSURE: 2075800 313.456 -87.6634 24.2653 -87.663 379.294 -82.7051 24.2646 -82.7056 13.4677 GPRESSURE: 2075800 341.389 -112.19 10.3008 -105.136 446.645 28.1512 -62.6681 -164.404 24.1464 PRESSAVG: 2075800 9.81798 -23.8862 -2.277 -23.8861 -29.9722 35.0996 -2.27704 35.0995 45.427 GPRESSAVG: 2075800 8.00552 -24.1836 -0.757054 -24.7727 -26.9891 33.891 -1.76153 36.0633 44.3927 TIMING: 2075800 CPU: 6547.53, 0.00320006/step Wall: 6547.53, 0.00320006/step, 2.59934 hours remaining, 237.839844 MB of memory in use. ENERGY: 2075800 3953.5837 20259.9046 14481.7097 244.2576 -203509.6637 2885.7017 0.0000 0.0000 52326.2205 -109358.2859 300.7195 -161684.5064 -108998.2760 299.3829 235.4059 270.7270 760493.5133 8.4243 8.4697 PRESSURE: 2076000 31.6478 -23.9042 -123.846 -23.905 -243.223 24.7232 -123.847 24.7235 -29.7962 GPRESSURE: 2076000 112.045 47.1939 -82.8672 -0.62655 -241.068 -5.18678 -149.246 -55.7538 -25.462 PRESSAVG: 2076000 -29.7001 -40.9703 10.5165 -40.9703 25.812 30.4998 10.5165 30.4996 -6.86109 GPRESSAVG: 2076000 -29.412 -42.4814 9.07356 -40.5863 24.0865 32.4268 10.4614 29.1553 -5.58969 TIMING: 2076000 CPU: 6548.17, 0.00319483/step Wall: 6548.17, 0.00319483/step, 2.59491 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2076000 3998.1212 20511.0478 14462.1724 258.7248 -202781.5384 2187.7939 0.0000 0.0000 51789.5193 -109574.1590 297.6351 -161363.6783 -109205.8260 299.4560 -80.4572 -51.4950 762802.5963 -3.5831 -3.6384 PRESSURE: 2076200 181.503 -54.1622 128.775 -54.1624 226.192 -151.317 128.775 -151.318 305.981 GPRESSURE: 2076200 215.283 0.0518912 74.3685 19.8448 257.974 -192.26 229.645 -54.0826 331.237 PRESSAVG: 2076200 12.185 -23.9209 -33.5824 -23.9209 -3.01576 -3.20077 -33.5822 -3.20082 -2.28522 GPRESSAVG: 2076200 12.8008 -25.9149 -34.9937 -21.578 -2.93348 -3.78652 -30.5561 -2.16588 -2.68721 TIMING: 2076200 CPU: 6548.8, 0.00318807/step Wall: 6548.8, 0.00318808/step, 2.58925 hours remaining, 237.839844 MB of memory in use. ENERGY: 2076200 3878.7505 20429.8619 14498.0953 224.7410 -203404.8097 2782.5421 0.0000 0.0000 52081.5232 -109509.2958 299.3132 -161590.8190 -109148.8212 299.3918 237.8918 268.1643 760730.8335 2.2947 2.3934 LDB: ============= START OF LOAD BALANCING ============== 6561.2 LDB: ============== END OF LOAD BALANCING =============== 6561.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6561.21 LDB: ============= START OF LOAD BALANCING ============== 6561.52 LDB: Largest compute 7025 load 0.034993 is 17.9% of average load 0.195882 LDB: Average compute 0.004421 is 2.3% of average load 0.195882 LDB: TIME 6561.53 LOAD: AVG 0.195882 MAX 0.216846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 6561.53 LOAD: AVG 0.195882 MAX 0.216846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: TIME 6561.53 LOAD: AVG 0.195882 MAX 0.216846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: ============== END OF LOAD BALANCING =============== 6561.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6561.53 PRESSURE: 2076400 77.7279 78.5807 22.0367 78.5804 -104.296 -183.64 22.0362 -183.639 138.632 GPRESSURE: 2076400 113.345 -54.7816 35.5275 131.506 -36.6693 -219.014 -62.0529 -182.072 108.92 PRESSAVG: 2076400 -32.5132 -30.946 -8.71013 -30.946 26.7525 -26.415 -8.71018 -26.4151 15.7587 GPRESSAVG: 2076400 -31.879 -29.1136 -6.92753 -33.0136 27.2244 -26.8381 -10.237 -24.4382 15.2278 TIMING: 2076400 CPU: 6549.45, 0.00323894/step Wall: 6549.45, 0.00323894/step, 2.63038 hours remaining, 238.667969 MB of memory in use. ENERGY: 2076400 3950.3554 20525.2027 14440.0723 238.3203 -203326.3436 2669.0387 0.0000 0.0000 52122.4543 -109380.8999 299.5485 -161503.3542 -109017.7949 299.3749 37.3546 61.8649 760263.0022 3.3327 3.5244 PRESSURE: 2076600 -3.57315 218.714 -111.933 218.713 -124.864 104.71 -111.932 104.711 -351.301 GPRESSURE: 2076600 -24.1566 64.5781 -82.3766 233.292 -21.6647 93.1234 -201.036 31.8966 -349.196 PRESSAVG: 2076600 -22.4211 -3.65731 -30.163 -3.65729 4.49988 13.5333 -30.1631 13.5332 -14.9026 GPRESSAVG: 2076600 -22.2518 -2.55025 -30.9323 -3.57679 4.84807 12.0841 -30.8692 12.0502 -15.1395 TIMING: 2076600 CPU: 6550.08, 0.00316853/step Wall: 6550.08, 0.00316853/step, 2.57302 hours remaining, 238.667969 MB of memory in use. ENERGY: 2076600 4044.3396 20488.7291 14484.0283 235.5690 -203369.8521 2630.3166 0.0000 0.0000 52077.3794 -109409.4900 299.2894 -161486.8694 -109052.9637 299.3491 -159.9125 -131.6724 762341.7391 -10.9413 -10.8477 PRESSURE: 2076800 -31.0653 -32.3857 56.5731 -32.3855 -147.91 176.832 56.5726 176.832 -392.699 GPRESSURE: 2076800 -7.77843 88.9147 126.811 -99.0601 -135.451 256.966 4.06543 108.789 -357.541 PRESSAVG: 2076800 40.3425 -12.9644 51.2407 -12.9643 -6.82076 77.0366 51.2406 77.0366 23.6144 GPRESSAVG: 2076800 39.7351 -13.0364 50.3749 -11.7596 -6.87788 79.1596 51.8852 74.0715 25.1976 TIMING: 2076800 CPU: 6550.72, 0.00319095/step Wall: 6550.72, 0.00319095/step, 2.59105 hours remaining, 238.667969 MB of memory in use. ENERGY: 2076800 3977.5815 20369.7182 14473.1723 266.6040 -203706.6017 2716.8289 0.0000 0.0000 52332.1539 -109570.5431 300.7536 -161902.6969 -109210.8323 299.1693 -190.5582 -166.9236 761416.5200 19.0454 19.3516 PRESSURE: 2077000 -69.1101 -99.3853 92.6679 -99.3861 -157.876 242.518 92.6683 242.517 -164.564 GPRESSURE: 2077000 -39.7929 -164.918 74.2019 -86.2345 -99.343 238.803 -18.7609 154.09 -166.421 PRESSAVG: 2077000 28.9793 -15.0539 14.2058 -15.0538 -16.1556 -27.1929 14.2058 -27.1929 11.891 GPRESSAVG: 2077000 29.8295 -17.5073 15.4543 -15.2552 -16.432 -28.1454 13.8779 -25.2363 11.5697 TIMING: 2077000 CPU: 6551.35, 0.003153/step Wall: 6551.35, 0.003153/step, 2.56006 hours remaining, 238.667969 MB of memory in use. ENERGY: 2077000 4011.2171 20403.4619 14476.5318 252.3593 -203430.2377 2571.4355 0.0000 0.0000 52126.7440 -109588.4881 299.5731 -161715.2321 -109247.7758 299.2012 -130.5167 -101.8523 761566.1261 8.2382 8.3224 PRESSURE: 2077200 216.621 55.5458 -17.4397 55.5459 6.72813 -150.079 -17.4392 -150.08 -194.211 GPRESSURE: 2077200 304.281 97.7591 30.9501 43.1765 58.4187 -132.098 61.3102 -105.92 -231.961 PRESSAVG: 2077200 23.1658 -38.1901 17.7995 -38.1901 -35.1167 42.5123 17.7995 42.5124 -5.27354 GPRESSAVG: 2077200 22.4107 -36.1659 14.8676 -38.2046 -34.4497 43.9819 17.5269 43.4522 -4.95923 TIMING: 2077200 CPU: 6551.99, 0.00318388/step Wall: 6551.99, 0.00318388/step, 2.58496 hours remaining, 238.667969 MB of memory in use. ENERGY: 2077200 3952.3276 20410.7537 14492.1139 256.1338 -203669.6158 2772.5836 0.0000 0.0000 51976.1808 -109809.5224 298.7078 -161785.7032 -109442.4986 298.8860 9.7129 43.5793 760418.7181 -5.7415 -5.6661 PRESSURE: 2077400 31.4148 -39.6033 39.8406 -39.6039 161.312 50.3651 39.8399 50.3649 -207.172 GPRESSURE: 2077400 33.8646 -6.79837 9.92362 38.8863 221.203 77.3307 93.8385 -0.467339 -194.096 PRESSAVG: 2077400 6.36252 -32.1255 1.78355 -32.1255 3.14786 25.2708 1.78353 25.2707 4.50381 GPRESSAVG: 2077400 6.8951 -33.156 4.25432 -32.5709 3.51133 25.07 0.624347 22.8114 4.14159 TIMING: 2077400 CPU: 6552.63, 0.00319255/step Wall: 6552.63, 0.00319254/step, 2.59181 hours remaining, 238.667969 MB of memory in use. ENERGY: 2077400 3941.6434 20318.9704 14510.6897 243.7193 -203622.6683 2528.8243 0.0000 0.0000 51942.3968 -110136.4246 298.5137 -162078.8214 -109779.2388 298.2663 -4.8152 20.3238 759606.0268 4.6714 4.8493 PRESSURE: 2077600 -17.8035 -83.3995 -136.828 -83.3989 57.2233 167.543 -136.828 167.542 129.737 GPRESSURE: 2077600 -30.6858 -78.2647 -177.085 -175.439 104.816 65.9469 2.27896 220.788 188.183 PRESSAVG: 2077600 10.5313 63.0564 -20.588 63.0564 -24.9099 -9.02877 -20.5879 -9.02877 16.835 GPRESSAVG: 2077600 11.6019 64.1248 -22.1195 63.6098 -24.9911 -8.38575 -19.3414 -6.92864 15.8985 TIMING: 2077600 CPU: 6553.27, 0.00318959/step Wall: 6553.27, 0.0031896/step, 2.58924 hours remaining, 238.667969 MB of memory in use. ENERGY: 2077600 4031.6603 20477.7789 14406.9231 248.9638 -203426.7205 2682.8815 0.0000 0.0000 51682.2289 -109896.2841 297.0185 -161578.5130 -109543.4890 298.0970 56.3855 87.4374 760238.7723 0.8188 0.8364 PRESSURE: 2077800 -37.6426 91.9896 278.045 91.9887 -273.543 -225.393 278.044 -225.394 -497.046 GPRESSURE: 2077800 15.2984 -0.979537 256.811 106.247 -272.979 -294.585 257.316 -212.223 -435.19 PRESSAVG: 2077800 -37.8031 32.9059 -24.1181 32.9058 25.4774 -15.1107 -24.1181 -15.1108 -11.5805 GPRESSAVG: 2077800 -38.0067 32.5969 -26.3136 32.3317 25.5043 -16.443 -22.0076 -15.8405 -11.4802 TIMING: 2077800 CPU: 6553.91, 0.003226/step Wall: 6553.91, 0.003226/step, 2.61861 hours remaining, 238.667969 MB of memory in use. ENERGY: 2077800 4104.7407 20407.8140 14485.6641 240.4160 -203337.9745 2422.3014 0.0000 0.0000 51794.6746 -109882.3638 297.6647 -161677.0384 -109524.4415 298.5848 -269.4107 -230.9571 760376.5136 -7.9687 -7.9942 PRESSURE: 2078000 117.094 -168.166 141.412 -168.166 5.73493 88.2122 141.412 88.2121 -261.315 GPRESSURE: 2078000 212.082 -102.581 103.409 -66.5824 -22.4019 191.737 111.912 102.252 -237.351 PRESSAVG: 2078000 -1.51125 12.0599 35.671 12.0599 6.44342 -25.1998 35.6711 -25.1998 -11.5249 GPRESSAVG: 2078000 -1.44024 12.4261 37.5242 12.0253 5.67818 -23.8407 33.4075 -25.2228 -10.6832 TIMING: 2078000 CPU: 6554.56, 0.0032336/step Wall: 6554.56, 0.0032336/step, 2.6246 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2078000 3968.1687 20502.2290 14461.4500 230.6754 -203310.3623 2486.6477 0.0000 0.0000 51925.8238 -109735.3678 298.4184 -161661.1915 -109385.6287 298.7744 -46.1620 -15.8904 760655.9644 -2.1976 -2.1484 PRESSURE: 2078200 -115.993 -33.4904 45.4327 -33.4905 -301.514 22.8963 45.4318 22.8959 5.7872 GPRESSURE: 2078200 7.35339 -65.8005 76.8569 -38.9507 -324.188 -2.68231 -69.8654 -26.8298 -7.57836 PRESSAVG: 2078200 -23.8634 -23.6951 -8.29263 -23.6951 -31.7437 -8.2163 -8.29264 -8.21634 -4.55699 GPRESSAVG: 2078200 -24.2212 -24.4844 -7.36021 -23.8946 -31.8076 -11.2814 -8.2745 -6.49226 -4.37404 TIMING: 2078200 CPU: 6555.2, 0.00321336/step Wall: 6555.2, 0.00321336/step, 2.608 hours remaining, 238.667969 MB of memory in use. ENERGY: 2078200 3981.3679 20630.3428 14402.1631 247.8762 -203406.0762 2482.2939 0.0000 0.0000 52110.6549 -109551.3773 299.4806 -161662.0322 -109194.7197 299.0321 -137.2397 -108.1376 759992.7576 -20.0547 -20.1343 PRESSURE: 2078400 260.288 -56.7424 -1.57803 -56.7423 138.274 132.883 -1.57781 132.883 -220.972 GPRESSURE: 2078400 257.428 -35.5826 -40.5574 -16.5951 250.583 216.71 58.8422 143.779 -231.806 PRESSAVG: 2078400 -5.97319 11.0594 2.33332 11.0594 2.66746 -49.4338 2.33332 -49.4338 4.38715 GPRESSAVG: 2078400 -4.57284 13.0917 2.12015 11.3526 2.9541 -46.2729 3.25842 -52.5958 3.02976 TIMING: 2078400 CPU: 6555.84, 0.00317616/step Wall: 6555.84, 0.00317616/step, 2.57763 hours remaining, 238.667969 MB of memory in use. ENERGY: 2078400 3944.9653 20287.3798 14370.6333 240.7860 -203063.9519 2449.2012 0.0000 0.0000 52263.0480 -109507.9383 300.3565 -161770.9863 -109138.7414 298.8669 59.1968 92.0682 760322.5149 0.3605 0.4703 PRESSURE: 2078600 -195.776 7.506 220.552 7.50555 -221.061 -108.746 220.553 -108.744 88.3867 GPRESSURE: 2078600 -272.519 0.858004 138.954 10.3798 -95.2532 -71.258 241.906 -89.0915 111.128 PRESSAVG: 2078600 46.1106 20.6794 -1.66369 20.6794 -23.0972 -22.3428 -1.66369 -22.3428 -5.57109 GPRESSAVG: 2078600 42.9637 19.8646 -0.887406 19.1276 -22.4287 -23.9583 -2.98294 -19.9397 -3.184 TIMING: 2078600 CPU: 6556.48, 0.00320099/step Wall: 6556.48, 0.00320099/step, 2.5976 hours remaining, 238.667969 MB of memory in use. ENERGY: 2078600 3979.5143 20581.6372 14467.0370 244.3708 -203215.6812 2639.0350 0.0000 0.0000 51774.9678 -109529.1191 297.5515 -161304.0869 -109177.1133 298.9250 -109.4834 -85.5482 761140.6034 5.8141 5.7837 PRESSURE: 2078800 245.273 14.8983 12.6715 14.8978 309.772 271.021 12.6713 271.022 346.225 GPRESSURE: 2078800 336.124 152.273 48.9295 -67.5983 324.595 289.748 48.0473 191.494 353.985 PRESSAVG: 2078800 22.1044 39.543 -0.943159 39.543 -23.2125 -25.5903 -0.94314 -25.5904 24.3477 GPRESSAVG: 2078800 25.5833 39.6264 -0.654358 41.0703 -23.9442 -24.2724 -0.881917 -25.7435 22.1448 TIMING: 2078800 CPU: 6557.12, 0.00320386/step Wall: 6557.12, 0.00320386/step, 2.59975 hours remaining, 238.667969 MB of memory in use. ENERGY: 2078800 3997.1996 20288.9798 14501.5158 264.4290 -203597.1628 2838.0678 0.0000 0.0000 51971.8469 -109735.1240 298.6829 -161706.9708 -109379.3034 298.8243 300.4230 338.2346 760372.2750 7.7465 7.9280 PRESSURE: 2079000 77.5639 195.641 -121.866 195.641 -237.649 -14.1437 -121.867 -14.1446 309.726 GPRESSURE: 2079000 83.587 160.761 -114.955 166.036 -104.063 -39.1437 -163.492 32.6842 254.095 PRESSAVG: 2079000 6.40094 39.9953 12.4463 39.9953 4.38638 2.11022 12.4463 2.11021 -1.41717 GPRESSAVG: 2079000 5.67988 39.4009 11.9989 39.3853 5.09239 1.44938 13.8181 0.830775 -1.18242 TIMING: 2079000 CPU: 6557.77, 0.0032586/step Wall: 6557.77, 0.0032586/step, 2.64399 hours remaining, 238.667969 MB of memory in use. ENERGY: 2079000 4048.3479 20250.2505 14443.4627 225.6962 -203082.2518 2642.3054 0.0000 0.0000 51890.4263 -109581.7627 298.2150 -161472.1890 -109216.1138 298.3618 49.8804 77.8729 762504.9225 3.1234 3.1966 PRESSURE: 2079200 281.098 -211.806 49.6172 -211.806 203.102 -148.06 49.6171 -148.06 -153.087 GPRESSURE: 2079200 177.194 -135.689 54.723 -193.923 299.709 -145.699 7.74502 -116.086 -76.0926 PRESSAVG: 2079200 47.6685 15.9167 2.60498 15.9167 -37.2206 -28.8744 2.60499 -28.8743 17.0377 GPRESSAVG: 2079200 46.7926 18.101 2.87913 15.3625 -36.7608 -30.0277 -0.371455 -28.6521 17.2289 TIMING: 2079200 CPU: 6558.41, 0.00320053/step Wall: 6558.41, 0.00320053/step, 2.59669 hours remaining, 238.667969 MB of memory in use. ENERGY: 2079200 3934.5398 20430.6740 14499.4231 242.0804 -202940.2919 2618.9281 0.0000 0.0000 51991.6592 -109222.9874 298.7968 -161214.6466 -108863.3884 298.9202 110.3710 133.6033 760791.2343 9.1618 9.0869 PRESSURE: 2079400 -296.756 51.9932 90.1258 51.9935 -26.2186 -52.0088 90.126 -52.0096 -408.265 GPRESSURE: 2079400 -222.135 41.0899 179.82 175.888 17.7968 -46.933 33.3421 -123.187 -428.918 PRESSAVG: 2079400 -6.60818 8.31193 24.054 8.31191 -20.1196 -24.2013 24.054 -24.2014 -17.8095 GPRESSAVG: 2079400 -5.72257 7.63725 25.0728 8.95542 -21.599 -21.8152 24.8673 -24.8742 -17.622 TIMING: 2079400 CPU: 6559.05, 0.003195/step Wall: 6559.05, 0.003195/step, 2.59203 hours remaining, 238.667969 MB of memory in use. ENERGY: 2079400 3926.4327 20203.2351 14492.0031 236.5635 -203086.7516 2464.3794 0.0000 0.0000 52395.2595 -109368.8783 301.1163 -161764.1378 -108993.1718 299.4441 -243.7462 -211.0853 761303.3700 -14.8458 -14.9812 PRESSURE: 2079600 190.331 36.7163 245.941 36.7167 82.0744 145.772 245.942 145.773 -160.452 GPRESSURE: 2079600 295.181 -27.1307 232.759 144.837 28.1073 142.111 349.071 20.415 -122.978 PRESSAVG: 2079600 -2.50684 -3.9335 21.2158 -3.93348 -46.8219 -24.0693 21.2158 -24.0693 -20.6967 GPRESSAVG: 2079600 -3.16636 -6.45071 21.3553 -3.91899 -45.7705 -26.6598 23.1126 -23.7874 -20.6744 TIMING: 2079600 CPU: 6559.69, 0.00320103/step Wall: 6559.69, 0.00320103/step, 2.59674 hours remaining, 238.667969 MB of memory in use. ENERGY: 2079600 4028.3475 20365.4338 14420.5396 232.0852 -202861.5038 2553.8411 0.0000 0.0000 52334.5027 -108926.7540 300.7671 -161261.2567 -108566.0325 300.0199 37.3178 66.7700 762721.6731 -23.3418 -23.2038 PRESSURE: 2079800 82.7509 -289.467 -187.657 -289.467 32.3702 124.579 -187.657 124.578 200.453 GPRESSURE: 2079800 154.888 -182.48 -207.752 -247.62 38.3004 19.2268 -238.81 37.4771 197.098 PRESSAVG: 2079800 46.1591 6.97255 18.7716 6.97254 -27.7682 -0.123017 18.7715 -0.123045 -1.8918 GPRESSAVG: 2079800 46.7311 9.04227 16.0259 5.79055 -28.7397 1.30952 16.3773 -0.141442 -0.933291 TIMING: 2079800 CPU: 6560.33, 0.00318565/step Wall: 6560.33, 0.00318565/step, 2.5841 hours remaining, 238.667969 MB of memory in use. ENERGY: 2079800 4071.7176 20442.0673 14536.8027 263.5397 -203138.6716 2568.9272 0.0000 0.0000 52208.5138 -109047.1034 300.0430 -161255.6172 -108687.0435 300.4354 105.1913 130.0953 761402.4712 5.4997 5.6861 PRESSURE: 2080000 -55.3644 -197.052 188.042 -197.053 -210.481 -226.817 188.043 -226.817 -37.9684 GPRESSURE: 2080000 -66.0224 -232.744 143.908 -195.89 -143.756 -203.784 174.144 -182.989 -17.8963 PRESSAVG: 2080000 -0.782637 -9.39032 -36.6636 -9.39032 11.7948 6.80146 -36.6636 6.80146 5.96075 GPRESSAVG: 2080000 -1.66054 -9.93054 -34.5519 -8.48288 13.5178 8.04428 -36.2869 6.91217 5.03582 TIMING: 2080000 CPU: 6560.96, 0.00314987/step Wall: 6560.96, 0.00314987/step, 2.55489 hours remaining, 238.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2080000 3995.7397 20584.5619 14474.9866 247.0380 -202919.3458 2374.7174 0.0000 0.0000 52159.7079 -109082.5944 299.7626 -161242.3023 -108724.5222 299.8382 -101.2714 -75.8914 761660.6201 5.6576 5.6310 PRESSURE: 2080200 -197.103 136.87 59.5967 136.869 -31.4285 -101.92 59.5965 -101.92 278.671 GPRESSURE: 2080200 -181.302 113.292 92.7506 -22.1831 -13.117 -65.6968 12.1965 -75.8555 317.735 PRESSAVG: 2080200 48.8976 5.57302 -39.7514 5.57307 -53.0619 -30.3837 -39.7514 -30.3837 -40.0975 GPRESSAVG: 2080200 50.0318 5.80884 -41.9654 4.48422 -54.297 -29.7753 -39.3788 -30.4339 -40.0958 TIMING: 2080200 CPU: 6561.6, 0.00320132/step Wall: 6561.6, 0.00320132/step, 2.59645 hours remaining, 238.667969 MB of memory in use. ENERGY: 2080200 4087.3629 20398.8316 14499.1515 257.8426 -202848.8610 2363.8200 0.0000 0.0000 51965.8411 -109276.0112 298.6484 -161241.8523 -108914.0132 299.9500 16.7131 41.1055 760777.9657 -14.7539 -14.7870 LDB: ============= START OF LOAD BALANCING ============== 6573.99 LDB: ============== END OF LOAD BALANCING =============== 6573.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6573.99 LDB: ============= START OF LOAD BALANCING ============== 6574.31 LDB: Largest compute 7034 load 0.034900 is 17.8% of average load 0.196008 LDB: Average compute 0.004420 is 2.3% of average load 0.196008 LDB: TIME 6574.31 LOAD: AVG 0.196008 MAX 0.215965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.965 MB LDB: TIME 6574.32 LOAD: AVG 0.196008 MAX 0.215965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 6574.32 LOAD: AVG 0.196008 MAX 0.215965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: ============== END OF LOAD BALANCING =============== 6574.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6574.32 PRESSURE: 2080400 -77.7926 -27.2294 60.2216 -27.2291 -247.968 -13.4316 60.2213 -13.4316 -475.776 GPRESSURE: 2080400 -119.235 96.2224 161.2 -81.9152 -199.899 59.278 -14.355 -121.349 -407.905 PRESSAVG: 2080400 -38.9413 -14.3284 -10.0115 -14.3283 27.474 -9.13922 -10.0114 -9.1392 -10.9984 GPRESSAVG: 2080400 -40.0296 -14.0564 -9.82012 -14.1656 27.8843 -11.7654 -8.56476 -7.19256 -10.7252 TIMING: 2080400 CPU: 6562.24, 0.00322055/step Wall: 6562.24, 0.00322055/step, 2.61187 hours remaining, 239.378906 MB of memory in use. ENERGY: 2080400 4004.5211 20238.3573 14427.2896 243.1197 -202858.8603 2347.7906 0.0000 0.0000 52189.4437 -109408.3383 299.9335 -161597.7820 -109040.6106 299.3059 -267.1787 -242.3462 761680.6689 -7.4886 -7.6235 PRESSURE: 2080600 91.1502 28.178 -112.923 28.1782 332.666 -108.782 -112.923 -108.783 241.369 GPRESSURE: 2080600 179.503 14.0674 -175.229 8.00253 365.702 72.6994 -169.325 -113.262 199.946 PRESSAVG: 2080600 -2.53568 24.1553 -47.6887 24.1553 21.1037 -3.28893 -47.6887 -3.28895 15.0103 GPRESSAVG: 2080600 -2.0002 23.4623 -47.359 25.4401 22.3982 -2.77917 -50.182 -3.26924 12.913 TIMING: 2080600 CPU: 6562.87, 0.00316412/step Wall: 6562.87, 0.00316412/step, 2.56593 hours remaining, 239.582031 MB of memory in use. ENERGY: 2080600 3943.5972 20483.7102 14489.8188 273.9050 -203267.0938 2662.0241 0.0000 0.0000 51979.4317 -109434.6067 298.7265 -161414.0384 -109079.4893 298.9372 221.7286 248.3836 759508.3980 11.1928 11.1037 PRESSURE: 2080800 -151.22 -132.398 8.49651 -132.397 -82.4257 2.07871 8.49664 2.07889 -374.057 GPRESSURE: 2080800 -102.004 -197.459 4.95046 -31.5493 -74.6402 -1.41181 4.87401 -56.9929 -354.873 PRESSAVG: 2080800 -5.0693 38.4821 -47.6214 38.482 38.2952 -49.892 -47.6214 -49.8919 -15.0079 GPRESSAVG: 2080800 -5.87656 38.6434 -46.2106 38.5923 37.1382 -50.5944 -44.9529 -51.0437 -12.967 TIMING: 2080800 CPU: 6563.51, 0.00316502/step Wall: 6563.51, 0.00316502/step, 2.56648 hours remaining, 239.582031 MB of memory in use. ENERGY: 2080800 4003.4338 20459.9382 14480.5464 257.8944 -203321.5591 2620.8444 0.0000 0.0000 52030.1516 -109468.7504 299.0180 -161498.9020 -109107.3410 298.8757 -202.5678 -177.1723 761300.9977 6.0727 6.0982 PRESSURE: 2081000 233.21 118.331 -77.3846 118.33 -364.93 -162.342 -77.3846 -162.342 518.398 GPRESSURE: 2081000 215.54 110.631 -92.7798 13.6759 -233.441 -97.1714 -212.068 -326.284 495.221 PRESSAVG: 2081000 13.4973 -45.1529 -26.839 -45.1529 28.9937 -37.2944 -26.839 -37.2943 -6.21734 GPRESSAVG: 2081000 14.184 -45.8182 -27.6927 -44.7588 29.4549 -37.5048 -28.958 -37.5011 -6.60331 TIMING: 2081000 CPU: 6564.13, 0.00314695/step Wall: 6564.13, 0.00314695/step, 2.55165 hours remaining, 239.582031 MB of memory in use. ENERGY: 2081000 4009.7443 20446.2276 14400.3633 255.2111 -202876.8673 2399.7403 0.0000 0.0000 52118.5851 -109246.9957 299.5262 -161365.5808 -108884.6606 299.2979 128.8929 159.1068 762550.2747 12.0912 12.3452 PRESSURE: 2081200 -240.792 161.7 51.2128 161.7 83.6548 -87.446 51.213 -87.4466 -47.0437 GPRESSURE: 2081200 -198.127 142.168 13.8318 136.942 -25.8063 -29.2424 -10.8311 -54.4019 91.0693 PRESSAVG: 2081200 0.71739 -13.4609 -65.5028 -13.4609 -48.5763 22.5679 -65.5027 22.5679 -14.5685 GPRESSAVG: 2081200 -0.694868 -12.3379 -65.4065 -16.9764 -48.446 22.3452 -65.3673 23.0158 -12.6529 TIMING: 2081200 CPU: 6564.76, 0.00314369/step Wall: 6564.76, 0.00314369/step, 2.54884 hours remaining, 239.582031 MB of memory in use. ENERGY: 2081200 3948.1850 20365.8578 14598.7029 281.1327 -203176.3784 2393.3341 0.0000 0.0000 52228.1435 -109361.0224 300.1559 -161589.1659 -108989.6794 299.0490 -68.0601 -44.2879 761395.8362 -20.8092 -20.5979 PRESSURE: 2081400 -134.278 171.193 165.186 171.193 0.370522 -90.4565 165.186 -90.4573 158.236 GPRESSURE: 2081400 -120.477 92.3195 166.183 190.37 66.1481 -74.8202 263.304 -42.8797 166.452 PRESSAVG: 2081400 3.98146 -1.2785 -15.0857 -1.27851 7.94662 -13.3013 -15.0857 -13.3012 -14.8114 GPRESSAVG: 2081400 3.52828 -2.47756 -15.329 0.911073 8.76169 -12.3797 -14.9944 -13.7333 -15.9717 TIMING: 2081400 CPU: 6565.4, 0.00315754/step Wall: 6565.4, 0.00315754/step, 2.55989 hours remaining, 239.582031 MB of memory in use. ENERGY: 2081400 3987.9208 20470.5108 14447.4740 232.5839 -203230.4665 2367.1471 0.0000 0.0000 52371.6708 -109353.1590 300.9807 -161724.8298 -108995.8321 299.0545 8.1095 37.3745 761034.2120 -0.9611 -1.2272 PRESSURE: 2081600 -182.493 -78.1486 49.9203 -78.1484 163.364 37.1341 49.9198 37.1347 -183.384 GPRESSURE: 2081600 -103.482 -7.75856 -34.3779 -55.8562 132.961 6.66447 94.5493 37.5217 -171.27 PRESSAVG: 2081600 9.4541 6.09658 19.0928 6.0966 -13.9914 33.7679 19.0928 33.768 -4.89564 GPRESSAVG: 2081600 11.9107 6.13419 18.4248 6.2368 -15.3626 34.1802 21.4477 33.2683 -5.60578 TIMING: 2081600 CPU: 6566.03, 0.00318266/step Wall: 6566.03, 0.00318266/step, 2.58008 hours remaining, 239.582031 MB of memory in use. ENERGY: 2081600 4017.6451 20592.3172 14464.8795 237.6662 -203157.7232 2369.8356 0.0000 0.0000 51848.6601 -109626.7197 297.9750 -161475.3797 -109267.1755 298.6507 -67.5045 -47.2640 761582.9052 -3.1443 -3.0192 PRESSURE: 2081800 -21.4 -29.0122 92.8933 -29.0131 128.771 154.075 92.8938 154.076 -82.4479 GPRESSURE: 2081800 34.7053 7.66589 55.3608 -40.5022 161.785 132.548 71.3177 179.008 -91.4488 PRESSAVG: 2081800 -12.4929 19.7344 32.0824 19.7344 45.7538 -14.8804 32.0823 -14.8804 -37.6598 GPRESSAVG: 2081800 -13.85 19.7606 31.9344 18.8689 47.1047 -16.1618 29.7619 -13.9448 -38.2038 TIMING: 2081800 CPU: 6566.67, 0.0031806/step Wall: 6566.67, 0.0031806/step, 2.57823 hours remaining, 239.582031 MB of memory in use. ENERGY: 2081800 3977.6459 20441.2877 14517.0344 261.0419 -203497.7011 2677.1965 0.0000 0.0000 51972.3957 -109651.0990 298.6861 -161623.4947 -109298.5713 298.9171 8.3076 35.0140 760661.3959 -1.4663 -1.6497 PRESSURE: 2082000 -335.979 -37.0485 61.8786 -37.0479 -116.884 -120.517 61.8794 -120.517 -19.7316 GPRESSURE: 2082000 -278.444 10.1261 64.2905 -84.745 -0.827681 -136.436 61.5704 -227.177 -87.1837 PRESSAVG: 2082000 -22.8589 19.7773 -32.3357 19.7773 17.3191 25.8324 -32.3357 25.8324 0.555174 GPRESSAVG: 2082000 -23.4109 19.4852 -32.4427 19.3118 17.0701 26.1279 -32.609 25.6275 1.58337 TIMING: 2082000 CPU: 6567.3, 0.00315984/step Wall: 6567.3, 0.00315984/step, 2.56122 hours remaining, 239.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2082000 4008.5910 20419.4645 14471.4065 236.8314 -203194.4187 2332.7786 0.0000 0.0000 51954.8800 -109770.4665 298.5854 -161725.3465 -109411.2111 298.3912 -157.5315 -122.1518 761185.6813 -1.6615 -1.5858 PRESSURE: 2082200 172.992 -49.919 -376.274 -49.9193 202.492 93.1155 -376.274 93.116 11.9687 GPRESSURE: 2082200 124.629 105.223 -304.255 -72.244 236.662 128.856 -446.568 50.9301 107.758 PRESSAVG: 2082200 -11.5321 55.4912 -33.8705 55.4913 51.6913 -10.7372 -33.8705 -10.7372 -15.7638 GPRESSAVG: 2082200 -11.1024 58.0601 -30.778 57.8336 51.0878 -10.4338 -34.861 -12.1858 -16.2405 TIMING: 2082200 CPU: 6567.94, 0.00318336/step Wall: 6567.94, 0.00318336/step, 2.58011 hours remaining, 239.582031 MB of memory in use. ENERGY: 2082200 3917.3747 20517.7888 14504.2798 256.7680 -203555.4782 2671.5970 0.0000 0.0000 52032.4176 -109655.2524 299.0310 -161687.6699 -109291.4169 299.1655 129.1509 156.3497 760427.1920 8.1318 7.9150 PRESSURE: 2082400 -43.4899 -176.991 216.462 -176.991 -8.76518 173.473 216.462 173.472 -73.9051 GPRESSURE: 2082400 -49.2775 -44.5056 232.797 -86.1356 53.7681 239.088 215.243 8.62978 -40.2678 PRESSAVG: 2082400 -37.1053 -1.96336 -3.09144 -1.96334 55.6505 4.3869 -3.09145 4.38697 -2.50813 GPRESSAVG: 2082400 -36.0228 -2.65882 -5.41937 0.994924 55.0715 4.31365 -1.29797 5.92606 -3.05695 TIMING: 2082400 CPU: 6568.57, 0.00315219/step Wall: 6568.57, 0.00315219/step, 2.55468 hours remaining, 239.582031 MB of memory in use. ENERGY: 2082400 3947.9584 20586.2070 14478.9064 242.9516 -203223.8519 2655.4060 0.0000 0.0000 51696.6239 -109615.7986 297.1012 -161312.4224 -109262.3194 298.7943 -42.0534 -11.9258 762816.8434 5.3457 5.3306 PRESSURE: 2082600 -25.7337 -20.6747 138.18 -20.6741 119.041 1.92034 138.18 1.91864 187.46 GPRESSURE: 2082600 -6.37061 -121.926 90.371 -150.958 196.555 32.4882 50.9482 25.1115 174.575 PRESSAVG: 2082600 -10.9466 -16.0713 29.7981 -16.0714 -12.4028 -18.0003 29.7981 -18.0004 -0.106694 GPRESSAVG: 2082600 -11.5146 -17.4645 30.6967 -18.1328 -11.3049 -16.8831 28.394 -19.9654 -0.632416 TIMING: 2082600 CPU: 6569.2, 0.0031836/step Wall: 6569.2, 0.0031836/step, 2.57995 hours remaining, 239.582031 MB of memory in use. ENERGY: 2082600 3961.9995 20612.9779 14395.8103 250.3400 -203053.7472 2394.2045 0.0000 0.0000 51997.9244 -109440.4905 298.8328 -161438.4150 -109089.2135 298.6803 93.5891 121.5864 762112.4746 -7.8187 -7.8173 PRESSURE: 2082800 -59.6354 -165.49 3.99917 -165.49 141.123 -83.5506 3.99885 -83.5503 -38.7256 GPRESSURE: 2082800 86.6253 -191.985 37.0361 -97.954 62.6068 -121.487 25.362 -60.0337 -35.8355 PRESSAVG: 2082800 12.1082 -45.655 -18.2361 -45.655 5.59115 -60.3956 -18.2361 -60.3956 1.57712 GPRESSAVG: 2082800 11.6377 -44.1633 -18.905 -48.9059 3.86237 -62.717 -18.3083 -57.2962 3.78834 TIMING: 2082800 CPU: 6569.84, 0.00319019/step Wall: 6569.84, 0.00319019/step, 2.58512 hours remaining, 239.582031 MB of memory in use. ENERGY: 2082800 3934.0395 20583.0253 14498.9282 218.7662 -203412.5772 2541.6220 0.0000 0.0000 51939.6796 -109696.5163 298.4981 -161636.1959 -109328.7422 299.1819 14.2540 37.7989 760821.9681 6.4255 6.4295 PRESSURE: 2083000 -126.65 -90.0333 0.335414 -90.0334 -168.475 -5.51062 0.335712 -5.50966 365.307 GPRESSURE: 2083000 -60.3312 -48.2568 -32.2348 -157.478 -63.7618 -37.4915 76.6866 -30.995 287.141 PRESSAVG: 2083000 23.1227 -43.04 -50.5293 -43.04 -32.7998 -27.7014 -50.5293 -27.7014 -9.87552 GPRESSAVG: 2083000 23.8224 -42.79 -49.3039 -38.6632 -31.1607 -26.2203 -50.6052 -30.3174 -11.8766 TIMING: 2083000 CPU: 6570.47, 0.00316579/step Wall: 6570.47, 0.00316579/step, 2.56517 hours remaining, 239.582031 MB of memory in use. ENERGY: 2083000 4056.4201 20559.3049 14491.7415 253.4612 -203724.3653 2945.5526 0.0000 0.0000 51681.1658 -109736.7192 297.0124 -161417.8850 -109387.8070 298.5079 23.3939 54.3494 763868.4694 -6.5175 -6.4050 PRESSURE: 2083200 -23.1898 -31.0718 -9.61855 -31.072 74.1433 -23.8708 -9.61778 -23.8705 -153.643 GPRESSURE: 2083200 -35.9685 52.3265 -16.503 -75.1533 82.5608 -82.5005 18.1255 41.2785 -70.5836 PRESSAVG: 2083200 -14.8676 -61.4629 9.90669 -61.4629 8.15863 -49.4345 9.90672 -49.4343 -13.3596 GPRESSAVG: 2083200 -15.2917 -64.081 9.23135 -62.6268 7.74686 -49.0927 10.0461 -48.8383 -12.0783 TIMING: 2083200 CPU: 6571.12, 0.00320064/step Wall: 6571.12, 0.00320064/step, 2.59323 hours remaining, 239.582031 MB of memory in use. ENERGY: 2083200 4004.4112 20532.8181 14505.9926 231.2021 -203848.6410 2967.9274 0.0000 0.0000 51970.0417 -109636.2480 298.6725 -161606.2897 -109280.9871 297.9231 -34.2297 -7.9971 762543.6502 -6.6895 -6.5410 PRESSURE: 2083400 -31.0791 92.131 -17.9479 92.1314 -353.343 -29.1268 -17.9475 -29.1281 91.6384 GPRESSURE: 2083400 13.6871 94.7895 60.2553 -9.53399 -292.731 -75.392 -54.3595 121.903 60.7464 PRESSAVG: 2083400 9.90056 -43.5953 -25.3462 -43.5953 -20.1069 5.11084 -25.3462 5.11081 4.92503 GPRESSAVG: 2083400 9.69663 -41.3909 -26.1998 -45.9309 -19.4429 5.62572 -25.3071 5.22241 4.43358 TIMING: 2083400 CPU: 6571.76, 0.00319994/step Wall: 6571.76, 0.00319994/step, 2.59249 hours remaining, 239.582031 MB of memory in use. ENERGY: 2083400 3974.5320 20667.6389 14555.4839 246.4832 -204257.0569 2941.8318 0.0000 0.0000 52052.5676 -109818.5194 299.1468 -161871.0869 -109460.6748 298.7216 -97.5944 -72.7657 761654.6971 -1.7604 -1.7709 PRESSURE: 2083600 -130.507 30.8069 45.3155 30.806 43.2308 35.1794 45.3156 35.1785 -198.528 GPRESSURE: 2083600 -75.4247 23.4015 81.0951 -22.0354 138.483 109.055 -56.6497 99.003 -250.343 PRESSAVG: 2083600 -45.2752 -98.0977 35.6583 -98.0977 28.356 -13.1313 35.6583 -13.1313 12.5279 GPRESSAVG: 2083600 -44.4045 -97.4903 35.108 -99.1001 28.1885 -14.375 33.5811 -13.7383 12.4261 TIMING: 2083600 CPU: 6572.39, 0.00316254/step Wall: 6572.39, 0.00316254/step, 2.56201 hours remaining, 239.582031 MB of memory in use. ENERGY: 2083600 3978.2681 20476.8971 14530.2115 254.2692 -203561.7323 2492.3045 0.0000 0.0000 52020.1235 -109809.6585 298.9604 -161829.7820 -109445.2527 298.6697 -95.2679 -62.4285 761522.4693 -1.4638 -1.2633 PRESSURE: 2083800 -301.733 -166.332 18.0296 -166.332 244.426 -11.0201 18.0291 -11.0209 233.381 GPRESSURE: 2083800 -138.642 -254.075 21.8656 36.7555 153.184 -51.9753 60.9379 95.0373 246.395 PRESSAVG: 2083800 -17.0389 -68.6159 3.30107 -68.6159 26.7182 -40.224 3.30112 -40.2239 0.99018 GPRESSAVG: 2083800 -16.2862 -68.5396 5.00387 -65.605 25.7946 -39.2628 4.72547 -40.4152 0.916367 TIMING: 2083800 CPU: 6573.02, 0.00315606/step Wall: 6573.02, 0.00315606/step, 2.55658 hours remaining, 239.582031 MB of memory in use. ENERGY: 2083800 3967.9177 20507.5383 14506.1061 236.5738 -203801.7813 2866.8461 0.0000 0.0000 51896.6739 -109820.1254 298.2509 -161716.7992 -109450.0956 298.6653 58.6910 86.9790 761296.4249 3.5565 3.4749 PRESSURE: 2084000 -41.2566 -240.619 -1.23089 -240.619 121.681 -139.863 -1.23139 -139.863 -258.598 GPRESSURE: 2084000 54.7802 -96.2583 6.57013 -277.174 86.1085 -155.696 -6.94703 -162.078 -226.627 PRESSAVG: 2084000 69.3613 -38.3599 -53.7045 -38.36 -27.2609 1.02858 -53.7045 1.02857 -4.25616 GPRESSAVG: 2084000 68.336 -38.1397 -54.6091 -38.0476 -27.3173 1.56187 -53.466 0.916393 -3.42529 TIMING: 2084000 CPU: 6573.65, 0.00316159/step Wall: 6573.65, 0.00316159/step, 2.56089 hours remaining, 239.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2084000 4004.8222 20558.6417 14552.8155 239.7504 -203795.8443 2716.2421 0.0000 0.0000 51752.4012 -109971.1713 297.4218 -161723.5725 -109616.6158 298.5682 -59.3913 -28.5795 761067.4025 12.6147 12.5312 PRESSURE: 2084200 -112.293 -118.399 45.5942 -118.4 -156.658 -35.4819 45.5945 -35.4822 19.6711 GPRESSURE: 2084200 -42.4799 -182.614 99.7938 -94.62 -49.161 -68.5285 98.4531 -82.2531 -71.9512 PRESSAVG: 2084200 44.496 -18.3624 -1.52133 -18.3624 -50.8477 -1.11653 -1.52144 -1.11656 -11.6092 GPRESSAVG: 2084200 44.2604 -18.8593 -2.11521 -18.9541 -50.4177 -2.25298 -1.54688 -2.68624 -11.9067 TIMING: 2084200 CPU: 6574.28, 0.00316325/step Wall: 6574.28, 0.00316325/step, 2.56206 hours remaining, 239.582031 MB of memory in use. ENERGY: 2084200 3978.3533 20594.9242 14474.7333 252.1030 -203801.8190 2619.5484 0.0000 0.0000 51959.8420 -109922.3147 298.6139 -161882.1567 -109553.5258 298.3694 -83.0933 -54.5307 761211.6064 -5.9870 -6.0213 LDB: ============= START OF LOAD BALANCING ============== 6586.68 LDB: ============== END OF LOAD BALANCING =============== 6586.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6586.69 LDB: ============= START OF LOAD BALANCING ============== 6587 LDB: Largest compute 7034 load 0.034772 is 17.7% of average load 0.195966 LDB: Average compute 0.004428 is 2.3% of average load 0.195966 LDB: TIME 6587.01 LOAD: AVG 0.195966 MAX 0.216813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 6587.01 LOAD: AVG 0.195966 MAX 0.216813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.504 MB LDB: TIME 6587.01 LOAD: AVG 0.195966 MAX 0.216813 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.504 MB LDB: ============== END OF LOAD BALANCING =============== 6587.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6587.01 PRESSURE: 2084400 -29.7328 77.5517 -89.8233 77.5513 -81.6582 -67.6962 -89.8226 -67.6951 -271.245 GPRESSURE: 2084400 -52.7447 146.535 -210.95 50.5695 -44.3201 -37.9983 94.984 -50.7082 -204.473 PRESSAVG: 2084400 40.0648 3.72103 -34.4312 3.72105 -27.8581 4.86985 -34.4312 4.86972 6.61125 GPRESSAVG: 2084400 40.7863 5.72717 -33.7006 4.38466 -28.3386 5.31685 -33.7487 6.56476 6.29596 TIMING: 2084400 CPU: 6574.93, 0.0032412/step Wall: 6574.93, 0.0032412/step, 2.62501 hours remaining, 238.609375 MB of memory in use. ENERGY: 2084400 3914.8305 20647.0461 14550.8549 236.9236 -203361.5247 2345.2378 0.0000 0.0000 51921.5298 -109745.1020 298.3937 -161666.6318 -109386.0179 299.0287 -127.5455 -100.5125 761300.0529 6.2726 6.2479 PRESSURE: 2084600 -45.4138 -202.549 -88.5761 -202.549 395.168 178.946 -88.5767 178.945 -256.547 GPRESSURE: 2084600 -18.6364 -243.004 -158.615 -249.503 374.922 203.677 -52.1732 138.928 -190.774 PRESSAVG: 2084600 -0.731571 15.8411 25.1301 15.8411 46.0735 5.00724 25.13 5.00713 -2.89488 GPRESSAVG: 2084600 -3.18983 14.9394 24.449 14.655 46.6765 6.28979 24.1058 4.2729 -1.39014 TIMING: 2084600 CPU: 6575.56, 0.00314535/step Wall: 6575.56, 0.00314535/step, 2.54721 hours remaining, 238.609375 MB of memory in use. ENERGY: 2084600 4031.2595 20402.2275 14515.1660 250.4741 -203789.8832 2841.3112 0.0000 0.0000 51902.5534 -109846.8915 298.2847 -161749.4449 -109488.3564 298.8755 31.0693 55.1707 761181.9250 14.1490 14.0322 PRESSURE: 2084800 -0.304056 198.18 171.619 198.181 209.955 177.817 171.619 177.817 59.9405 GPRESSURE: 2084800 51.7057 121.872 155.481 175.208 241.267 187.075 132.693 31.7651 75.58 PRESSAVG: 2084800 -40.1457 7.17168 62.6512 7.17171 5.98443 -14.1635 62.6512 -14.1635 -11.6502 GPRESSAVG: 2084800 -38.2462 5.01052 63.3412 7.56509 5.44733 -17.0039 62.5863 -13.8664 -12.6595 TIMING: 2084800 CPU: 6576.19, 0.00316618/step Wall: 6576.19, 0.00316618/step, 2.5639 hours remaining, 238.867188 MB of memory in use. ENERGY: 2084800 3959.3652 20533.2080 14485.6179 247.3535 -203497.4364 2541.1749 0.0000 0.0000 52068.1798 -109662.5370 299.2365 -161730.7168 -109288.2524 298.7314 89.8638 122.8510 761237.6072 -15.2705 -15.1528 PRESSURE: 2085000 -27.575 -181.62 180.408 -181.621 -105.145 -55.0461 180.409 -55.0467 -167.85 GPRESSURE: 2085000 47.3818 -102.175 173.051 -232.272 -116.961 -87.1103 138.259 37.3835 -138.337 PRESSAVG: 2085000 -14.8614 -8.12627 -70.7409 -8.12626 18.682 -11.4181 -70.7409 -11.4182 -2.09659 GPRESSAVG: 2085000 -15.4126 -4.41917 -70.5469 -9.87733 19.7996 -10.3472 -71.2792 -11.0008 -3.34612 TIMING: 2085000 CPU: 6576.83, 0.00316859/step Wall: 6576.83, 0.00316859/step, 2.56568 hours remaining, 238.867188 MB of memory in use. ENERGY: 2085000 3996.9392 20537.8011 14442.7856 259.7039 -203405.7015 2436.0286 0.0000 0.0000 51858.3681 -109874.0750 298.0308 -161732.4431 -109518.3836 298.7064 -100.1899 -69.3056 762171.7742 0.5747 0.3470 PRESSURE: 2085200 77.014 -38.0311 -47.7821 -38.0314 -129.317 -117.519 -47.7821 -117.52 -114.907 GPRESSURE: 2085200 49.299 -103.819 -114.357 30.2368 -22.6558 -137.48 -7.65426 -177.833 -109.322 PRESSAVG: 2085200 -4.79542 -1.65751 -17.3282 -1.65749 9.56131 -15.3929 -17.3283 -15.3928 -15.1549 GPRESSAVG: 2085200 -5.0198 -3.83747 -15.3277 0.305967 8.50526 -15.881 -17.3485 -16.4026 -13.7859 TIMING: 2085200 CPU: 6577.46, 0.00315828/step Wall: 6577.46, 0.00315828/step, 2.55715 hours remaining, 238.867188 MB of memory in use. ENERGY: 2085200 3968.0209 20500.8024 14467.3633 244.6056 -203442.1615 2447.5353 0.0000 0.0000 51858.6180 -109955.2160 298.0322 -161813.8340 -109588.5435 298.3921 -55.7365 -27.5595 761170.8446 -3.4630 -3.4335 PRESSURE: 2085400 291.709 -167.41 -154.719 -167.41 175.325 58.9049 -154.719 58.9047 -222.58 GPRESSURE: 2085400 254.697 -82.3235 -228.313 -287.581 229.609 -9.11281 -42.3326 -42.3509 -171.512 PRESSAVG: 2085400 -43.8249 -34.5372 18.0551 -34.5372 39.8302 -34.6514 18.0551 -34.6514 -11.6099 GPRESSAVG: 2085400 -45.1446 -34.7006 16.4576 -34.7131 40.6314 -34.1528 19.7953 -36.9319 -11.5187 TIMING: 2085400 CPU: 6578.09, 0.00315763/step Wall: 6578.09, 0.00315763/step, 2.55645 hours remaining, 238.867188 MB of memory in use. ENERGY: 2085400 3936.3274 20417.5207 14487.5829 242.6159 -203614.8965 2645.8577 0.0000 0.0000 51983.6515 -109901.3403 298.7508 -161884.9919 -109527.1141 298.7270 81.4848 104.2648 761492.4148 -5.2015 -5.3440 PRESSURE: 2085600 -138.156 -173.625 -188.877 -173.624 -351.811 -19.9727 -188.876 -19.9729 -451.636 GPRESSURE: 2085600 -74.2529 -314.592 -234.372 -123.429 -327.697 0.211464 -50.7009 -10.7203 -439.523 PRESSAVG: 2085600 2.42564 -43.5798 -0.535047 -43.5798 -10.7304 -1.27436 -0.535065 -1.27442 -11.9258 GPRESSAVG: 2085600 2.26987 -43.9593 -1.06566 -44.5585 -10.8795 0.197335 -0.363292 0.890039 -11.0456 TIMING: 2085600 CPU: 6578.72, 0.00315897/step Wall: 6578.72, 0.00315897/step, 2.55736 hours remaining, 238.867188 MB of memory in use. ENERGY: 2085600 4063.1210 20443.8835 14438.1677 247.6564 -203415.0755 2479.1641 0.0000 0.0000 51879.9363 -109863.1465 298.1547 -161743.0827 -109501.8707 298.3376 -313.8673 -280.4911 761401.7437 -6.7435 -6.5517 PRESSURE: 2085800 426.33 80.9645 -140.349 80.9641 -48.9786 122.113 -140.35 122.113 120.853 GPRESSURE: 2085800 321.757 57.7638 -59.2715 55.0076 100.506 95.4538 -46.1893 27.035 157.464 PRESSAVG: 2085800 44.4169 0.366241 -59.8873 0.366264 -27.2995 -33.7846 -59.8873 -33.7846 16.7795 GPRESSAVG: 2085800 44.7456 0.901099 -59.3506 0.308731 -26.3936 -34.9817 -61.4968 -33.6382 15.8357 TIMING: 2085800 CPU: 6579.35, 0.00315964/step Wall: 6579.35, 0.00315964/step, 2.55773 hours remaining, 238.867188 MB of memory in use. ENERGY: 2085800 3962.7731 20567.0374 14518.1805 234.1778 -203918.4913 2758.7622 0.0000 0.0000 52150.9770 -109726.5835 299.7124 -161877.5604 -109362.4620 298.7264 166.0683 193.2422 761162.3544 11.2990 11.3959 PRESSURE: 2086000 180.824 79.1355 152.982 79.1347 271.909 231.006 152.982 231.005 97.7521 GPRESSURE: 2086000 268.684 94.68 212.355 42.3317 189.065 256.017 12.8119 159.742 162.139 PRESSAVG: 2086000 45.8808 -10.9886 -9.39045 -10.9886 -9.58593 15.1364 -9.3905 15.1364 -9.2765 GPRESSAVG: 2086000 46.2429 -9.04216 -10.5641 -9.75817 -11.2733 14.499 -9.00318 14.9695 -7.94825 TIMING: 2086000 CPU: 6579.99, 0.003185/step Wall: 6579.99, 0.003185/step, 2.57808 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2086000 3979.0516 20653.7654 14456.5592 246.9565 -203655.2971 2645.4246 0.0000 0.0000 52074.1512 -109599.3887 299.2709 -161673.5398 -109237.1153 299.4886 183.4950 206.6294 762337.6040 9.0061 9.0071 PRESSURE: 2086200 -3.62233 -142.301 213.678 -142.301 -51.0795 -230.102 213.678 -230.102 -254.453 GPRESSURE: 2086200 2.17859 -223.277 51.0279 -95.6411 -22.6454 -128.385 233.706 -135.851 -195.832 PRESSAVG: 2086200 -17.879 -28.843 22.2274 -28.843 -32.1654 -35.092 22.2275 -35.0919 15.3047 GPRESSAVG: 2086200 -16.493 -28.1838 23.5423 -28.7335 -32.3587 -34.6197 21.3123 -36.1252 14.8395 TIMING: 2086200 CPU: 6580.62, 0.00314753/step Wall: 6580.62, 0.00314753/step, 2.54758 hours remaining, 238.867188 MB of memory in use. ENERGY: 2086200 3964.2464 20570.6951 14448.6120 257.6575 -203616.8990 2660.0176 0.0000 0.0000 52045.1527 -109670.5176 299.1042 -161715.6703 -109306.5763 298.8365 -103.0517 -72.0995 761444.6994 -11.5799 -11.3374 PRESSURE: 2086400 119.998 67.0033 108.771 67.0031 -247.06 -30.9168 108.772 -30.9163 -94.6028 GPRESSURE: 2086400 64.8071 24.8357 68.4013 -2.31885 -193.084 -80.989 121.682 33.9677 -40.5658 PRESSAVG: 2086400 25.067 18.138 27.3535 18.1379 -75.1123 2.03219 27.3535 2.03231 -23.7822 GPRESSAVG: 2086400 25.3592 15.409 27.9983 18.3901 -74.4602 2.77379 25.3824 1.5672 -24.7722 TIMING: 2086400 CPU: 6581.25, 0.00315583/step Wall: 6581.25, 0.00315583/step, 2.55412 hours remaining, 238.867188 MB of memory in use. ENERGY: 2086400 4019.5336 20616.8759 14454.2123 237.6083 -203481.2547 2661.8105 0.0000 0.0000 51988.4348 -109502.7793 298.7782 -161491.2141 -109144.8396 298.9705 -73.8883 -56.2808 760952.6704 -24.6091 -24.6244 PRESSURE: 2086600 -184.828 65.5205 61.1278 65.5215 31.0513 -13.1627 61.1278 -13.1625 -25.418 GPRESSURE: 2086600 -115.555 -18.5131 115.371 72.9506 111.316 -77.5745 28.2159 72.5362 -95.0809 PRESSAVG: 2086600 8.83008 16.8794 46.1648 16.8794 32.8865 -8.53469 46.1648 -8.53471 -17.0092 GPRESSAVG: 2086600 8.39905 16.9824 46.6066 16.8338 33.6269 -9.0302 49.2325 -5.5409 -16.9835 TIMING: 2086600 CPU: 6581.89, 0.00316738/step Wall: 6581.89, 0.00316738/step, 2.56329 hours remaining, 238.867188 MB of memory in use. ENERGY: 2086600 4026.9806 20641.2199 14464.9097 244.9743 -203505.0678 2593.5602 0.0000 0.0000 51988.8979 -109544.5253 298.7809 -161533.4232 -109190.7214 299.2275 -59.7316 -33.1065 761169.0285 8.2358 8.3475 PRESSURE: 2086800 -158.989 60.6942 57.2971 60.6942 -253.324 -111.961 57.2962 -111.962 -187.426 GPRESSURE: 2086800 -146.242 34.0966 9.04545 197.231 -201.864 -20.9776 39.6836 -81.3693 -165.751 PRESSAVG: 2086800 28.0601 7.72664 8.97024 7.72664 -42.4922 -14.3467 8.97025 -14.3468 -5.88814 GPRESSAVG: 2086800 28.0918 8.94703 8.43914 7.74676 -42.4485 -13.9581 6.13351 -17.4157 -6.1355 TIMING: 2086800 CPU: 6582.52, 0.00315337/step Wall: 6582.52, 0.00315337/step, 2.55178 hours remaining, 238.867188 MB of memory in use. ENERGY: 2086800 3991.3564 20418.4186 14513.5499 256.2659 -203515.4238 2754.3221 0.0000 0.0000 52031.3594 -109550.1515 299.0249 -161581.5109 -109189.3660 299.2519 -199.9132 -171.2859 759809.1252 -6.7734 -6.8308 PRESSURE: 2087000 246.221 -38.1644 170.409 -38.1646 249.713 163.661 170.409 163.663 -3.89594 GPRESSURE: 2087000 336.883 48.3646 181.869 -16.7036 225.296 50.6805 256.958 308.892 24.2567 PRESSAVG: 2087000 56.3227 -5.91107 30.8201 -5.91114 -71.216 13.5546 30.8201 13.5547 20.6081 GPRESSAVG: 2087000 55.9748 -5.15984 29.0075 -6.4423 -70.6797 11.8307 33.779 15.1746 20.5512 TIMING: 2087000 CPU: 6583.15, 0.00316057/step Wall: 6583.15, 0.00316056/step, 2.55742 hours remaining, 238.867188 MB of memory in use. ENERGY: 2087000 3958.8982 20348.0142 14514.0610 245.3888 -203509.8560 2675.4095 0.0000 0.0000 52182.4241 -109585.6602 299.8931 -161768.0843 -109241.8995 298.8036 164.0127 195.4788 759519.7844 1.9049 1.9488 PRESSURE: 2087200 257.548 -104.918 137.073 -104.919 -175.131 -76.4276 137.073 -76.4284 45.9953 GPRESSURE: 2087200 245.689 -106.371 203.385 30.1513 -133.316 -16.9202 53.9648 -91.8941 87.2125 PRESSAVG: 2087200 55.3108 -7.46934 47.3393 -7.46929 -57.5345 -18.8408 47.3392 -18.8408 15.6012 GPRESSAVG: 2087200 54.5389 -8.4294 49.75 -8.16153 -56.878 -16.5243 45.9319 -20.2158 15.889 TIMING: 2087200 CPU: 6583.78, 0.00316889/step Wall: 6583.78, 0.00316889/step, 2.56398 hours remaining, 238.867188 MB of memory in use. ENERGY: 2087200 3983.2813 20568.9761 14546.9024 236.4926 -203274.3744 2534.5450 0.0000 0.0000 52039.6320 -109364.5451 299.0725 -161404.1771 -109006.0267 299.4469 42.8042 66.5283 760397.2211 4.4592 4.5166 PRESSURE: 2087400 -412.363 2.2245 -187.408 2.22491 -77.7188 -13.2977 -187.409 -13.2971 -237.996 GPRESSURE: 2087400 -361.307 27.4494 -108.533 -144.497 -96.9489 -24.6333 -119.684 -18.1626 -199.336 PRESSAVG: 2087400 -21.9147 9.85647 26.2668 9.85646 4.23652 -21.0544 26.2668 -21.0543 4.2152 GPRESSAVG: 2087400 -22.162 11.7254 26.3186 9.97381 3.43994 -20.474 23.1661 -20.4401 5.02829 TIMING: 2087400 CPU: 6584.41, 0.00313434/step Wall: 6584.41, 0.00313434/step, 2.53586 hours remaining, 238.867188 MB of memory in use. ENERGY: 2087400 3984.6786 20539.2223 14517.3857 236.0658 -203368.8871 2515.3172 0.0000 0.0000 52151.9044 -109424.3130 299.7177 -161576.2174 -109057.8638 299.5698 -242.6926 -219.1970 761424.4100 -4.4877 -4.5646 PRESSURE: 2087600 59.0778 -31.0671 -297.453 -31.0667 116.414 -140.684 -297.454 -140.683 -14.2749 GPRESSURE: 2087600 84.4297 -57.4328 -289.004 -95.7471 120.439 -102.051 -310.967 -130.474 64.9369 PRESSAVG: 2087600 0.849019 17.9635 -34.7947 17.9635 22.6826 -62.5854 -34.7947 -62.5853 3.73539 GPRESSAVG: 2087600 2.25132 15.7647 -34.7053 17.6389 20.7576 -63.4365 -29.8886 -61.5127 4.34033 TIMING: 2087600 CPU: 6585.04, 0.00312926/step Wall: 6585.04, 0.00312926/step, 2.53157 hours remaining, 238.867188 MB of memory in use. ENERGY: 2087600 3956.8109 20443.9458 14477.5759 260.8594 -203446.2069 2635.3217 0.0000 0.0000 52246.9633 -109424.7300 300.2640 -161671.6933 -109054.9920 299.1275 53.7388 89.9353 760462.0451 9.0890 9.1164 PRESSURE: 2087800 -8.26909 -1.81989 -87.7388 -1.82004 -52.2541 -134.371 -87.7388 -134.372 -472.938 GPRESSURE: 2087800 84.5305 -3.42699 -56.5031 138.088 -0.893632 -109.171 -158.968 -269.987 -535.272 PRESSAVG: 2087800 8.72229 26.1312 -70.0077 26.1312 -61.6702 -18.9149 -70.0076 -18.9148 23.7418 GPRESSAVG: 2087800 7.93935 25.7028 -71.7832 26.0688 -59.8462 -18.8519 -71.0904 -20.4271 22.5609 TIMING: 2087800 CPU: 6585.66, 0.00313342/step Wall: 6585.66, 0.00313342/step, 2.53476 hours remaining, 238.867188 MB of memory in use. ENERGY: 2087800 4042.2849 20519.0580 14545.0859 242.1042 -203391.2353 2638.8509 0.0000 0.0000 51903.2721 -109500.5793 298.2888 -161403.8514 -109133.0308 299.3306 -177.8203 -150.5450 761210.9098 -9.7354 -9.7820 PRESSURE: 2088000 26.444 -67.0273 51.0068 -67.027 -247.272 -122.778 51.0076 -122.778 274.733 GPRESSURE: 2088000 26.7906 -60.4919 49.4662 -17.26 -69.8453 -169.145 66.943 -124.93 188.959 PRESSAVG: 2088000 45.1232 -13.3589 -4.50023 -13.3589 -17.4826 -27.3246 -4.50027 -27.3246 -2.66146 GPRESSAVG: 2088000 45.2141 -11.606 -3.16225 -12.8151 -17.6358 -28.9526 -6.28893 -26.9654 -2.46812 TIMING: 2088000 CPU: 6586.29, 0.00314799/step Wall: 6586.29, 0.00314799/step, 2.54637 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2088000 3982.7287 20572.0272 14508.0408 250.4112 -203510.1018 2536.9539 0.0000 0.0000 52134.6879 -109525.2522 299.6188 -161659.9400 -109170.7906 298.9485 17.9685 48.6348 761491.7457 8.3264 8.3701 PRESSURE: 2088200 -229.147 -42.7864 76.0793 -42.7865 12.6597 -111.583 76.0803 -111.582 73.2888 GPRESSURE: 2088200 -143.281 -48.0654 -49.3206 -10.6775 80.2513 -83.1265 -29.2027 -169.506 -12.7468 PRESSAVG: 2088200 36.9452 -17.6509 -46.4624 -17.6509 -12.0312 -50.669 -46.4624 -50.669 14.9309 GPRESSAVG: 2088200 38.7343 -19.3086 -47.4083 -18.1476 -13.0933 -50.0213 -46.1789 -51.7558 14.0231 TIMING: 2088200 CPU: 6586.92, 0.0031274/step Wall: 6586.92, 0.00312739/step, 2.52954 hours remaining, 238.867188 MB of memory in use. ENERGY: 2088200 3995.9860 20631.0251 14514.9598 243.5270 -203493.0158 2436.4011 0.0000 0.0000 52189.7528 -109481.3641 299.9352 -161671.1169 -109122.9214 299.1742 -47.7330 -25.2587 761003.8786 13.2816 13.2214 LDB: ============= START OF LOAD BALANCING ============== 6599.31 LDB: ============== END OF LOAD BALANCING =============== 6599.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6599.32 LDB: ============= START OF LOAD BALANCING ============== 6599.63 LDB: Largest compute 7025 load 0.033257 is 17.0% of average load 0.196024 LDB: Average compute 0.004401 is 2.2% of average load 0.196024 LDB: TIME 6599.63 LOAD: AVG 0.196024 MAX 0.213956 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 6599.63 LOAD: AVG 0.196024 MAX 0.213956 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.898 MB LDB: TIME 6599.63 LOAD: AVG 0.196024 MAX 0.213956 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.898 MB LDB: ============== END OF LOAD BALANCING =============== 6599.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6599.64 PRESSURE: 2088400 280.331 -62.52 11.8661 -62.5207 230.069 -52.0946 11.8664 -52.0938 158.445 GPRESSURE: 2088400 388.013 -99.7274 82.4833 13.3083 183.622 -109.653 -34.1237 -46.3604 192.628 PRESSAVG: 2088400 -7.95767 -34.9126 -71.4451 -34.9126 14.0834 -50.8868 -71.4452 -50.8869 -2.92086 GPRESSAVG: 2088400 -9.91181 -35.3859 -70.9796 -32.5912 14.9301 -51.1695 -70.7443 -49.5364 -2.0605 TIMING: 2088400 CPU: 6587.56, 0.00319869/step Wall: 6587.56, 0.00319869/step, 2.58703 hours remaining, 240.152344 MB of memory in use. ENERGY: 2088400 3932.2765 20406.3606 14517.2568 240.7021 -204047.0819 3121.0118 0.0000 0.0000 52024.2542 -109805.2199 298.9841 -161829.4740 -109435.5313 298.9955 222.9483 254.7542 759319.7569 1.0683 0.9859 PRESSURE: 2088600 -154.837 -151.84 -141.493 -151.839 -436.872 31.4256 -141.494 31.4255 -104.566 GPRESSURE: 2088600 -169.647 -260.064 -98.7876 -167.138 -280.721 -6.89377 -77.433 47.0283 -136.51 PRESSAVG: 2088600 -53.8127 -21.8171 24.2265 -21.8171 8.09325 26.5966 24.2265 26.5967 13.434 GPRESSAVG: 2088600 -52.602 -19.37 24.7182 -24.4978 7.62778 25.7386 23.1864 27.3916 12.9808 TIMING: 2088600 CPU: 6588.18, 0.00313198/step Wall: 6588.18, 0.00313198/step, 2.5329 hours remaining, 240.218750 MB of memory in use. ENERGY: 2088600 3936.7020 20314.8094 14526.1596 252.2950 -203392.0780 2627.8172 0.0000 0.0000 51903.3288 -109830.9659 298.2891 -161734.2948 -109461.1594 299.0158 -232.0917 -195.6257 761653.7747 -10.7618 -10.6645 PRESSURE: 2088800 89.7088 46.8378 151.005 46.8378 -196.995 117.148 151.004 117.148 -250.388 GPRESSURE: 2088800 107.408 107.584 196.783 72.4553 -158.292 155.12 99.6763 54.8444 -225.99 PRESSAVG: 2088800 7.08049 10.9076 3.17455 10.9076 -2.52465 33.0383 3.1746 33.0384 6.95233 GPRESSAVG: 2088800 6.14512 9.83279 2.07943 11.5441 -1.16848 33.3449 6.51251 34.0975 6.99011 TIMING: 2088800 CPU: 6588.81, 0.00314054/step Wall: 6588.81, 0.00314054/step, 2.53965 hours remaining, 240.218750 MB of memory in use. ENERGY: 2088800 3952.2018 20552.4434 14482.2111 258.0412 -203744.4001 2692.9939 0.0000 0.0000 51844.3806 -109962.1280 297.9504 -161806.5087 -109604.5500 298.0204 -119.2249 -92.2913 760121.9371 3.8361 3.9889 PRESSURE: 2089000 364.422 -149.536 254.965 -149.535 -44.4583 6.59645 254.964 6.59568 171.913 GPRESSURE: 2089000 419.653 -150.65 213.129 -65.1951 -39.9601 -32.6729 189.933 34.7878 191.381 PRESSAVG: 2089000 69.5965 -7.12507 45.8362 -7.12511 -6.50975 -39.5374 45.8362 -39.5374 6.02295 GPRESSAVG: 2089000 69.4756 -6.82917 45.3693 -6.72368 -7.00606 -38.5004 41.5971 -42.3893 5.53304 TIMING: 2089000 CPU: 6589.45, 0.00317212/step Wall: 6589.45, 0.00317212/step, 2.56501 hours remaining, 240.218750 MB of memory in use. ENERGY: 2089000 3966.8522 20499.4101 14473.9169 250.5803 -203765.1761 2654.4592 0.0000 0.0000 52006.0184 -109913.9390 298.8793 -161919.9574 -109552.9576 297.9253 163.9588 190.3578 760573.7058 23.0366 22.6675 PRESSURE: 2089200 -52.7157 -66.5256 -150.48 -66.5254 -269.325 -404.842 -150.48 -404.843 -463.055 GPRESSURE: 2089200 -78.6498 -123.52 -183.263 -0.483405 -204.935 -377.755 -296.583 -354.266 -417.083 PRESSAVG: 2089200 -2.11221 18.3238 -3.65971 18.3237 -10.5238 -40.9419 -3.65975 -40.942 -11.7436 GPRESSAVG: 2089200 -1.10073 17.4852 -3.7394 19.7599 -12.4542 -40.7393 -1.32191 -39.9224 -11.4248 TIMING: 2089200 CPU: 6590.08, 0.00316991/step Wall: 6590.08, 0.00316991/step, 2.56305 hours remaining, 240.218750 MB of memory in use. ENERGY: 2089200 3997.1012 20572.3080 14492.6580 253.8043 -203577.6090 2513.6791 0.0000 0.0000 52155.7596 -109592.2987 299.7399 -161748.0584 -109229.4966 298.4557 -261.6984 -233.5561 762441.6778 -8.1265 -8.3266 PRESSURE: 2089400 11.3314 -4.09904 -115.604 -4.09854 -204.401 14.2738 -115.604 14.2738 -437.342 GPRESSURE: 2089400 67.3038 -51.8857 -199.279 -54.1213 -213.188 -55.6132 -42.279 116.325 -398.19 PRESSAVG: 2089400 6.34604 11.9115 -38.1995 11.9115 -32.4904 -22.4534 -38.1995 -22.4534 -17.0474 GPRESSAVG: 2089400 5.81609 9.60405 -37.3948 10.4151 -31.8294 -23.4127 -40.2089 -21.7731 -16.6347 TIMING: 2089400 CPU: 6590.71, 0.00315084/step Wall: 6590.71, 0.00315084/step, 2.54746 hours remaining, 240.218750 MB of memory in use. ENERGY: 2089400 4137.3653 20551.0178 14583.5688 247.6939 -203440.1124 2557.0641 0.0000 0.0000 51930.0017 -109433.4008 298.4424 -161363.4025 -109077.3010 298.7769 -210.1373 -181.3581 762721.0245 -14.3973 -14.2160 PRESSURE: 2089600 -115.407 -184.884 225.775 -184.885 121.618 -123.657 225.775 -123.657 -56.1341 GPRESSURE: 2089600 -48.7631 -171.496 162.012 -75.286 96.1672 -180.589 155.007 46.3395 -31.1823 PRESSAVG: 2089600 -10.9553 -0.286149 41.6236 -0.286042 -20.2586 6.72083 41.6236 6.72086 -19.8845 GPRESSAVG: 2089600 -9.25721 3.58228 42.3898 -1.17569 -20.5313 5.9584 42.7043 7.43167 -21.1707 TIMING: 2089600 CPU: 6591.34, 0.00315498/step Wall: 6591.34, 0.00315498/step, 2.55062 hours remaining, 240.218750 MB of memory in use. ENERGY: 2089600 4094.0133 20644.7143 14504.5256 261.3142 -203806.5801 2839.3229 0.0000 0.0000 52104.8466 -109357.8433 299.4473 -161462.6898 -108992.7889 299.0440 -16.6409 5.4073 761580.5186 -17.0328 -16.9864 PRESSURE: 2089800 -80.5344 -86.8891 -50.9635 -86.8893 -229.786 10.4804 -50.9636 10.4803 -71.641 GPRESSURE: 2089800 -27.276 -80.7458 -17.7597 -132.436 -178.334 83.1007 -193.333 -81.2315 -113.317 PRESSAVG: 2089800 39.565 -4.50957 -43.2325 -4.50951 -13.1886 -44.6411 -43.2325 -44.6411 18.365 GPRESSAVG: 2089800 38.7803 -7.04586 -43.0602 -3.95521 -13.9769 -45.0189 -44.1661 -46.2646 20.0472 TIMING: 2089800 CPU: 6591.97, 0.0031494/step Wall: 6591.97, 0.0031494/step, 2.54594 hours remaining, 240.218750 MB of memory in use. ENERGY: 2089800 4065.9908 20616.3463 14447.3162 234.0742 -203944.7520 2968.9910 0.0000 0.0000 52223.8794 -109388.1540 300.1314 -161612.0334 -109022.9713 299.9463 -127.3203 -106.3090 763062.8799 14.9138 14.9502 PRESSURE: 2090000 -87.8064 -100.716 237.578 -100.716 -275.261 34.8959 237.578 34.897 73.4593 GPRESSURE: 2090000 -115.428 10.429 198.963 -91.2979 -212.916 -3.03011 203.836 0.469427 128.307 PRESSAVG: 2090000 -15.655 26.971 -5.83586 26.971 11.0176 -28.8863 -5.83576 -28.8864 -16.4144 GPRESSAVG: 2090000 -16.087 26.0696 -6.40456 27.4616 11.4563 -27.8777 -6.02819 -29.1096 -16.5013 TIMING: 2090000 CPU: 6592.6, 0.00313271/step Wall: 6592.6, 0.00313271/step, 2.53227 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2090000 4055.8368 20741.0049 14487.9051 267.7108 -203437.6881 2602.9461 0.0000 0.0000 51859.8694 -109422.4150 298.0394 -161282.2844 -109060.1614 299.6770 -96.5361 -66.6789 761490.2523 -7.0173 -7.0440 PRESSURE: 2090200 -481.214 40.7028 -299.612 40.7035 -318.55 -128.984 -299.612 -128.984 -213.088 GPRESSURE: 2090200 -452.865 78.1041 -273.432 102.776 -249.506 -67.5099 -194.015 -181.508 -226.196 PRESSAVG: 2090200 -53.9842 33.431 -15.9921 33.431 31.7596 -53.6404 -15.9921 -53.6404 18.4247 GPRESSAVG: 2090200 -53.2378 35.4196 -15.6817 32.9465 31.4999 -53.6027 -13.4647 -51.9327 17.7856 TIMING: 2090200 CPU: 6593.23, 0.00315951/step Wall: 6593.23, 0.00315951/step, 2.55376 hours remaining, 240.218750 MB of memory in use. ENERGY: 2090200 4033.2776 20540.0466 14558.8865 256.3191 -203440.7231 2423.9845 0.0000 0.0000 52144.4683 -109483.7404 299.6750 -161628.2088 -109112.7474 299.5241 -337.6175 -309.5222 761139.2232 -1.2666 -1.3175 PRESSURE: 2090400 -241.384 255.748 -258.521 255.749 -210.355 -51.0956 -258.521 -51.0954 -242.434 GPRESSURE: 2090400 -163.198 210.225 -277.093 179.124 -220.508 -103.758 -249.611 -18.4244 -231.757 PRESSAVG: 2090400 -40.3069 47.5147 -66.0359 47.5146 52.1512 -15.6487 -66.0359 -15.6487 6.16017 GPRESSAVG: 2090400 -40.4049 48.7909 -65.3144 47.5966 52.4789 -14.4816 -68.5011 -16.1535 5.79149 TIMING: 2090400 CPU: 6593.86, 0.00313824/step Wall: 6593.86, 0.00313825/step, 2.5364 hours remaining, 240.218750 MB of memory in use. ENERGY: 2090400 4011.9843 20761.0327 14475.6696 247.6218 -203398.2596 2459.9046 0.0000 0.0000 52091.8798 -109350.1667 299.3727 -161442.0465 -108993.4924 299.6233 -231.3908 -205.1544 760811.3415 6.0015 5.9552 PRESSURE: 2090600 -117.755 88.7964 212.203 88.7968 -151.117 185.302 212.203 185.301 35.4934 GPRESSURE: 2090600 -32.8686 -18.4036 227.778 28.1649 -123.042 158.974 156.678 118.348 10.1981 PRESSAVG: 2090600 -34.318 31.0939 -61.2377 31.0939 41.7403 13.5299 -61.2376 13.5298 22.5018 GPRESSAVG: 2090600 -33.5941 27.3726 -62.7042 33.4492 41.12 12.5692 -59.5742 14.2143 22.5904 TIMING: 2090600 CPU: 6594.49, 0.00317573/step Wall: 6594.49, 0.00317573/step, 2.56652 hours remaining, 240.218750 MB of memory in use. ENERGY: 2090600 3984.2534 20701.8079 14506.6131 235.2094 -203398.2480 2517.5385 0.0000 0.0000 52161.4487 -109291.3769 299.7726 -161452.8257 -108929.6505 299.4517 -77.7929 -48.5707 759942.9448 9.9747 10.0388 PRESSURE: 2090800 -16.4045 -34.9114 -193.771 -34.9117 -48.9665 -57.3006 -193.772 -57.3005 7.68401 GPRESSURE: 2090800 17.8563 101.101 -170.214 -100.672 -32.0699 -105.275 -281.889 141.579 34.4722 PRESSAVG: 2090800 4.7055 -41.3417 -21.5368 -41.3417 -7.22667 47.4055 -21.5368 47.4055 -9.89218 GPRESSAVG: 2090800 3.88975 -39.0023 -20.9726 -43.5677 -6.31794 47.5601 -21.3675 48.3751 -10.2608 TIMING: 2090800 CPU: 6595.12, 0.00314609/step Wall: 6595.12, 0.00314609/step, 2.54239 hours remaining, 240.218750 MB of memory in use. ENERGY: 2090800 4007.3723 20422.4962 14578.4741 239.2288 -203699.3712 2864.0717 0.0000 0.0000 52227.9106 -109359.8174 300.1545 -161587.7280 -108996.5929 299.6819 -19.2290 6.7528 762179.6693 -4.1378 -4.2297 PRESSURE: 2091000 -70.175 -99.989 -19.0575 -99.9891 -97.0483 288.129 -19.0565 288.129 -191.912 GPRESSURE: 2091000 -64.36 -233.623 -91.8497 3.58004 -22.1946 270.225 -27.1496 309.901 -182.759 PRESSAVG: 2091000 -31.4633 -8.71738 -37.5071 -8.71735 33.8056 48.3388 -37.5071 48.3388 -12.839 GPRESSAVG: 2091000 -32.0591 -9.2309 -36.9091 -6.17939 33.3694 46.9588 -38.8371 46.0908 -12.2349 TIMING: 2091000 CPU: 6595.75, 0.00314759/step Wall: 6595.75, 0.00314759/step, 2.54343 hours remaining, 240.218750 MB of memory in use. ENERGY: 2091000 3931.4929 20599.8396 14491.4916 242.7095 -203512.2045 2646.5519 0.0000 0.0000 52273.5126 -109326.6064 300.4166 -161600.1190 -108963.3650 300.0170 -119.7118 -89.7711 761313.2766 -3.4989 -3.6415 PRESSURE: 2091200 -138.126 -33.9921 10.9941 -33.9918 -26.5474 314.86 10.9942 314.86 -569.061 GPRESSURE: 2091200 -105.643 -171.522 -75.5135 -6.92372 -10.8109 328.936 74.8756 255.757 -545.75 PRESSAVG: 2091200 -33.5426 26.3089 -38.6425 26.3089 -3.96473 -30.8394 -38.6425 -30.8393 3.4567 GPRESSAVG: 2091200 -32.7561 24.1993 -40.288 26.0399 -4.03988 -27.9374 -38.8658 -30.8379 3.05734 TIMING: 2091200 CPU: 6596.38, 0.00314955/step Wall: 6596.38, 0.00314955/step, 2.54484 hours remaining, 240.218750 MB of memory in use. ENERGY: 2091200 4033.1421 20587.7977 14561.7699 234.3816 -203317.2941 2566.2314 0.0000 0.0000 51956.3060 -109377.6655 298.5936 -161333.9715 -109022.3057 299.4702 -244.5783 -220.7348 761089.5272 -11.3502 -11.2462 PRESSURE: 2091400 -127.968 -34.8184 -139.95 -34.819 -70.3214 4.49473 -139.95 4.49549 -166.032 GPRESSURE: 2091400 -57.8022 100.13 -116.76 -86.6841 42.3862 -8.82628 -85.2288 13.6822 -273.058 PRESSAVG: 2091400 19.4583 -53.8747 -49.7753 -53.8747 -14.1628 7.18963 -49.7754 7.1896 18.5305 GPRESSAVG: 2091400 19.5787 -50.8053 -48.2222 -54.3493 -14.4522 3.80865 -48.3639 8.17683 18.5551 TIMING: 2091400 CPU: 6597.01, 0.00314097/step Wall: 6597.01, 0.00314097/step, 2.53773 hours remaining, 240.218750 MB of memory in use. ENERGY: 2091400 3928.1238 20529.3529 14569.4353 253.2575 -203410.9954 2641.9639 0.0000 0.0000 52083.9281 -109404.9339 299.3271 -161488.8620 -109034.1919 299.5384 -121.4404 -96.1579 762136.2725 7.9420 7.8939 PRESSURE: 2091600 74.593 -158.117 2.24735 -158.117 -115.845 225.749 2.24788 225.75 -396.274 GPRESSURE: 2091600 34.392 -138.978 75.0562 -241.289 -53.0566 285.422 -40.1885 38.9627 -337.685 PRESSAVG: 2091600 22.4234 -14.752 -75.9899 -14.7521 -57.6434 53.544 -75.9899 53.544 3.74227 GPRESSAVG: 2091600 21.842 -17.4143 -76.7581 -14.6519 -57.1189 54.9057 -76.4944 52.2843 3.98526 TIMING: 2091600 CPU: 6597.64, 0.00315165/step Wall: 6597.64, 0.00315165/step, 2.54618 hours remaining, 240.218750 MB of memory in use. ENERGY: 2091600 4007.4919 20544.4443 14442.5973 257.3200 -203492.0707 2666.5751 0.0000 0.0000 52364.5347 -109209.1074 300.9397 -161573.6421 -108837.0228 299.0749 -145.8421 -118.7830 762358.0207 -10.4926 -10.4306 PRESSURE: 2091800 157.106 62.5203 -97.9398 62.5202 -101.594 69.5162 -97.9397 69.5153 -399.636 GPRESSURE: 2091800 207.303 23.1324 -146.313 161.63 -125.461 47.4768 -50.523 -94.3068 -345.092 PRESSAVG: 2091800 -34.535 13.6731 -69.7428 13.6731 12.3951 45.3404 -69.7428 45.3403 -16.1878 GPRESSAVG: 2091800 -34.1078 15.863 -69.2716 13.4226 12.8478 44.3923 -68.0378 45.6535 -16.1891 TIMING: 2091800 CPU: 6598.27, 0.00316262/step Wall: 6598.27, 0.00316262/step, 2.55487 hours remaining, 240.218750 MB of memory in use. ENERGY: 2091800 3937.4654 20624.1844 14526.8463 261.8128 -203304.5021 2606.1784 0.0000 0.0000 52004.0900 -109343.9250 298.8682 -161348.0150 -108975.1763 300.1271 -114.7080 -87.7501 761874.0325 -12.7759 -12.4830 PRESSURE: 2092000 -406.216 22.2975 -135.788 22.2983 14.865 -117.833 -135.787 -117.831 -158.603 GPRESSURE: 2092000 -403.33 96.296 -113.054 -14.5358 38.6393 -91.1242 -280.554 -48.5433 -107.569 PRESSAVG: 2092000 -56.8573 13.8604 -12.1316 13.8604 59.7955 26.5876 -12.1316 26.5876 9.35595 GPRESSAVG: 2092000 -57.2444 13.1858 -14.711 13.8808 59.5934 26.1315 -13.7555 24.3955 9.87615 TIMING: 2092000 CPU: 6598.91, 0.00317452/step Wall: 6598.91, 0.00317452/step, 2.5643 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2092000 3989.2235 20580.5127 14512.8668 242.2344 -203178.2564 2467.7605 0.0000 0.0000 51908.0333 -109477.6253 298.3162 -161385.6586 -109118.7772 299.6850 -183.3180 -157.4200 762869.0063 4.0980 4.0750 PRESSURE: 2092200 73.8961 61.5088 -25.7355 61.5093 -166.118 -71.5935 -25.7361 -71.593 378.35 GPRESSURE: 2092200 89.8058 -131.561 -31.304 76.5588 -49.7756 -134.422 124.256 150.549 309.763 PRESSAVG: 2092200 -3.32529 8.9765 -61.1178 8.97654 -8.27283 4.29409 -61.1178 4.29407 -5.91272 GPRESSAVG: 2092200 -3.55953 8.44598 -59.4229 7.40019 -7.56801 4.58566 -61.0541 7.59318 -6.83163 TIMING: 2092200 CPU: 6599.54, 0.0031712/step Wall: 6599.54, 0.0031712/step, 2.56145 hours remaining, 240.218750 MB of memory in use. ENERGY: 2092200 3991.2260 20567.8426 14537.3174 262.3385 -203616.7997 2668.8966 0.0000 0.0000 52122.9963 -109466.1824 299.5516 -161589.1787 -109103.0577 299.6783 95.3761 116.5978 762212.3953 -5.8369 -5.9864 LDB: ============= START OF LOAD BALANCING ============== 6611.94 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6611.94 LDB: =============== DONE WITH MIGRATION ================ 6611.94 LDB: ============= START OF LOAD BALANCING ============== 6612.26 LDB: Largest compute 7025 load 0.034967 is 17.8% of average load 0.195942 LDB: Average compute 0.004422 is 2.3% of average load 0.195942 LDB: TIME 6612.27 LOAD: AVG 0.195942 MAX 0.213999 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.098 MB LDB: TIME 6612.27 LOAD: AVG 0.195942 MAX 0.213999 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.098 MB LDB: TIME 6612.27 LOAD: AVG 0.195942 MAX 0.213999 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.098 MB LDB: ============== END OF LOAD BALANCING =============== 6612.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.27 PRESSURE: 2092400 118.342 176.291 257.319 176.292 -43.6277 129.054 257.32 129.054 -106.003 GPRESSURE: 2092400 148.524 206.416 270.378 197.842 -9.85358 103.376 343.629 282.698 -79.9975 PRESSAVG: 2092400 62.3445 -20.3664 -18.2727 -20.3664 -50.3131 1.75457 -18.2727 1.75455 -2.42837 GPRESSAVG: 2092400 63.2642 -20.2239 -17.5325 -18.5587 -51.2058 3.42045 -18.5898 -0.369884 -1.4785 TIMING: 2092400 CPU: 6600.19, 0.0032538/step Wall: 6600.19, 0.0032538/step, 2.62798 hours remaining, 237.636719 MB of memory in use. ENERGY: 2092400 4004.0600 20576.2771 14446.3456 243.4477 -203577.3466 2838.0391 0.0000 0.0000 51963.6501 -109505.5270 298.6358 -161469.1771 -109137.7553 298.9177 -10.4295 19.5575 761627.0551 3.2010 3.5267 PRESSURE: 2092600 -118.217 163.347 -44.9174 163.347 -465.265 72.5217 -44.9169 72.522 53.8562 GPRESSURE: 2092600 -86.7358 220.278 -16.9246 37.1886 -414.669 2.02562 -31.5303 11.2786 37.8032 PRESSAVG: 2092600 37.3291 -2.32075 13.8643 -2.32075 -4.42787 -10.0105 13.8643 -10.0105 -14.7758 GPRESSAVG: 2092600 36.5542 -4.00395 13.4991 -3.55626 -3.33766 -9.99786 14.9992 -9.55419 -15.3529 TIMING: 2092600 CPU: 6600.83, 0.00318795/step Wall: 6600.83, 0.00318795/step, 2.57462 hours remaining, 237.839844 MB of memory in use. ENERGY: 2092600 4034.6931 20667.5982 14503.6456 227.8633 -203812.3683 2667.2165 0.0000 0.0000 52192.4387 -109518.9128 299.9507 -161711.3515 -109151.1445 299.2939 -176.5420 -154.5339 760397.2938 6.0418 5.9546 PRESSURE: 2092800 -226.474 80.7317 -113.599 80.7302 175.671 -153.138 -113.599 -153.138 -79.9129 GPRESSURE: 2092800 -188.78 188.611 -90.8241 -34.5265 179.362 -183.959 -28.3005 -177.234 -50.3561 PRESSAVG: 2092800 -42.0538 -1.0713 -18.7683 -1.07132 9.37122 -68.2116 -18.7683 -68.2116 16.0099 GPRESSAVG: 2092800 -41.2484 0.196616 -17.6048 -2.10925 8.22277 -68.5593 -21.0246 -68.4438 16.2099 TIMING: 2092800 CPU: 6601.46, 0.00317614/step Wall: 6601.46, 0.00317614/step, 2.56491 hours remaining, 237.839844 MB of memory in use. ENERGY: 2092800 4034.5067 20526.6340 14505.5441 241.6759 -203350.7713 2541.3321 0.0000 0.0000 52013.6646 -109487.4138 298.9232 -161501.0784 -109122.2075 298.9632 -43.5721 -19.9247 760945.8423 -5.5576 -5.6052 PRESSURE: 2093000 273.038 15.5042 -93.3161 15.5039 -332.113 -138.568 -93.3151 -138.567 -369.461 GPRESSURE: 2093000 257.843 6.1728 -86.8715 24.4272 -237.473 -227.446 -2.50772 -52.3232 -364.538 PRESSAVG: 2093000 31.3213 -43.0418 -45.8415 -43.0418 9.58346 -60.1613 -45.8416 -60.1612 12.8095 GPRESSAVG: 2093000 29.507 -43.5653 -45.8286 -41.9696 10.4584 -60.5422 -44.9288 -57.3245 13.9973 TIMING: 2093000 CPU: 6602.1, 0.00318719/step Wall: 6602.1, 0.00318719/step, 2.57365 hours remaining, 237.839844 MB of memory in use. ENERGY: 2093000 4046.1564 20574.4659 14529.2933 261.9393 -203105.8226 2663.9455 0.0000 0.0000 51733.0352 -109296.9870 297.3105 -161030.0222 -108936.8518 299.6455 -142.8454 -114.7228 762448.4281 17.9047 17.9876 PRESSURE: 2093200 46.7178 11.1972 33.4967 11.1975 -312.357 -108.011 33.4969 -108.011 65.689 GPRESSURE: 2093200 78.7075 -30.8507 4.82134 25.0764 -282.606 -12.4969 -50.3891 -57.1567 84.7741 PRESSAVG: 2093200 3.45751 -5.96212 23.7372 -5.96211 36.4945 -21.1863 23.7372 -21.1862 -18.779 GPRESSAVG: 2093200 5.1209 -5.51089 23.1097 -7.00219 36.2017 -20.1554 24.2236 -24.5346 -19.9738 TIMING: 2093200 CPU: 6602.74, 0.00319134/step Wall: 6602.74, 0.00319134/step, 2.57683 hours remaining, 237.839844 MB of memory in use. ENERGY: 2093200 3997.4457 20579.2821 14473.4078 239.5222 -203311.1277 2466.9203 0.0000 0.0000 52240.5070 -109314.0426 300.2269 -161554.5496 -108951.1412 300.0986 -66.6502 -39.7082 761436.4004 7.0577 7.1163 PRESSURE: 2093400 -38.0725 -319.65 -119.366 -319.651 1.41147 -164.213 -119.366 -164.213 292.503 GPRESSURE: 2093400 67.9078 -250.754 -265.369 -368.777 -12.577 -186.978 -40.2355 136.838 285.868 PRESSAVG: 2093400 -61.0937 -1.85549 29.3006 -1.85552 -8.92892 -10.362 29.3006 -10.362 16.0878 GPRESSAVG: 2093400 -60.6279 -1.93735 27.8784 -3.78609 -9.92155 -12.6022 30.825 -6.73962 16.484 TIMING: 2093400 CPU: 6603.38, 0.00318386/step Wall: 6603.38, 0.00318386/step, 2.57061 hours remaining, 237.839844 MB of memory in use. ENERGY: 2093400 4041.3009 20470.7898 14459.3638 262.6011 -203016.6351 2463.8092 0.0000 0.0000 52033.4849 -109285.2854 299.0372 -161318.7703 -108916.3105 299.6868 85.2808 113.7328 759838.5512 -17.9783 -18.0218 PRESSURE: 2093600 313.329 167.087 -27.1049 167.087 167.053 -73.7309 -27.1048 -73.7299 290.331 GPRESSURE: 2093600 318.152 266.07 16.5911 193.439 213.358 0.0876096 -105.817 -151.897 315.179 PRESSAVG: 2093600 12.7002 -2.9107 -8.09657 -2.91065 -51.3298 -71.9479 -8.09649 -71.9479 -18.4581 GPRESSAVG: 2093600 11.8517 -4.17916 -5.80056 0.858837 -50.6472 -71.7588 -9.75004 -73.6878 -18.1564 TIMING: 2093600 CPU: 6604.01, 0.00318724/step Wall: 6604.01, 0.00318724/step, 2.57317 hours remaining, 237.839844 MB of memory in use. ENERGY: 2093600 3948.2174 20573.1339 14449.4865 235.3706 -203403.9217 2799.8698 0.0000 0.0000 52171.6385 -109226.2051 299.8311 -161397.8435 -108862.2178 299.7542 256.9044 282.2296 760942.8104 -19.0292 -18.9840 PRESSURE: 2093800 129.105 -101.317 -122.966 -101.318 -11.9587 52.219 -122.967 52.219 -23.8995 GPRESSURE: 2093800 198.689 -147.899 -206.535 -151.526 24.5501 136.928 82.5077 -40.196 -47.5213 PRESSAVG: 2093800 -27.9045 7.03127 37.5185 7.0312 6.4262 -22.012 37.5186 -22.0121 -25.4601 GPRESSAVG: 2093800 -28.4441 8.34118 35.5353 7.94968 6.09842 -20.0837 38.1489 -22.7156 -24.5948 TIMING: 2093800 CPU: 6604.66, 0.00320562/step Wall: 6604.66, 0.00320562/step, 2.58783 hours remaining, 237.839844 MB of memory in use. ENERGY: 2093800 3988.3378 20647.1139 14496.3194 245.0921 -203229.7348 2716.8961 0.0000 0.0000 51914.5835 -109221.3921 298.3538 -161135.9755 -108870.3568 300.1118 31.0822 58.5727 761434.7100 -15.6461 -15.6468 PRESSURE: 2094000 77.2928 -91.5961 10.5238 -91.5968 155.966 68.6965 10.5246 68.6964 271.27 GPRESSURE: 2094000 146.768 -190.312 -30.5448 -102.68 152.45 60.3769 83.4204 37.9907 290.509 PRESSAVG: 2094000 -3.88368 -17.2738 -14.8803 -17.2738 39.0578 -45.0533 -14.8803 -45.0534 9.8003 GPRESSAVG: 2094000 -3.55595 -19.2129 -14.0892 -18.743 39.2349 -43.1377 -15.2597 -46.305 8.62255 TIMING: 2094000 CPU: 6605.3, 0.00321225/step Wall: 6605.3, 0.00321225/step, 2.593 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2094000 3877.9799 20514.9582 14523.6392 248.5002 -203132.3922 2405.9323 0.0000 0.0000 52294.5911 -109266.7913 300.5377 -161561.3824 -108896.6946 300.0381 168.1763 196.5759 760785.2915 14.9915 14.7672 PRESSURE: 2094200 55.1973 -56.9665 23.2138 -56.9665 -349.412 120.804 23.2135 120.803 -223.098 GPRESSURE: 2094200 114.755 22.6927 -24.6777 -143.498 -295.745 123.913 -58.6606 -40.152 -253.829 PRESSAVG: 2094200 7.51318 0.815839 -19.0983 0.815834 -88.745 -1.0845 -19.0983 -1.08445 11.2467 GPRESSAVG: 2094200 8.42998 1.12763 -18.1296 2.18802 -88.2937 -2.03827 -19.1772 -0.389218 10.306 TIMING: 2094200 CPU: 6605.94, 0.00319405/step Wall: 6605.94, 0.00319405/step, 2.57813 hours remaining, 237.839844 MB of memory in use. ENERGY: 2094200 4053.1518 20553.2058 14540.1322 245.1594 -202946.1019 2355.1716 0.0000 0.0000 51907.4785 -109291.8025 298.3130 -161199.2810 -108935.8377 299.9299 -172.4375 -144.9397 761102.2079 -23.3284 -23.1859 PRESSURE: 2094400 -258.048 -132.884 52.6949 -132.883 -383.649 200.929 52.6956 200.928 10.7697 GPRESSURE: 2094400 -196.96 -76.1307 166.116 -194.737 -384.561 127.072 44.568 199.968 3.44151 PRESSAVG: 2094400 45.1818 -34.1031 -14.2523 -34.1031 -58.2064 -6.61559 -14.2523 -6.61554 6.67457 GPRESSAVG: 2094400 44.6066 -32.6945 -13.6915 -35.4464 -57.0645 -7.65775 -14.9362 -8.15729 6.0836 TIMING: 2094400 CPU: 6606.57, 0.00318484/step Wall: 6606.57, 0.00318484/step, 2.57052 hours remaining, 237.839844 MB of memory in use. ENERGY: 2094400 4058.4153 20553.5594 14472.9746 234.5218 -203010.8448 2299.2298 0.0000 0.0000 52020.8725 -109371.2714 298.9647 -161392.1439 -109013.9759 299.3627 -210.3092 -192.6931 760488.0135 -2.1167 -2.1248 PRESSURE: 2094600 -68.1732 50.9216 -416.697 50.9222 -27.3661 -185.195 -416.697 -185.195 -264.477 GPRESSURE: 2094600 8.15483 -30.8198 -296.754 43.6445 -79.8575 -150.203 -402.572 -202.031 -224.269 PRESSAVG: 2094600 51.8971 -52.9424 28.5809 -52.9424 -36.1524 10.0392 28.5809 10.0392 -18.9511 GPRESSAVG: 2094600 52.6048 -52.6557 29.3327 -51.4114 -37.6569 9.48279 31.5557 10.4465 -18.0139 TIMING: 2094600 CPU: 6607.21, 0.00320444/step Wall: 6607.21, 0.00320444/step, 2.58616 hours remaining, 237.839844 MB of memory in use. ENERGY: 2094600 4019.8293 20496.6282 14629.9446 240.5004 -203032.5170 2173.4339 0.0000 0.0000 52203.6897 -109268.4909 300.0153 -161472.1806 -108910.3837 300.3763 -120.0055 -98.6574 760107.6619 -1.0688 -1.0220 PRESSURE: 2094800 199.604 -111.133 34.6844 -111.132 -75.4117 291.282 34.6852 291.283 49.6527 GPRESSURE: 2094800 147.885 -89.5795 63.7432 -81.2473 28.9729 220.684 -107.763 323.207 91.0541 PRESSAVG: 2094800 -49.2164 -61.8276 -52.9968 -61.8276 18.6969 27.686 -52.9968 27.6859 -10.4513 GPRESSAVG: 2094800 -49.8101 -61.4573 -54.2782 -63.287 18.5968 28.1772 -55.0958 28.2998 -9.91519 TIMING: 2094800 CPU: 6607.85, 0.00319918/step Wall: 6607.85, 0.00319918/step, 2.58174 hours remaining, 237.839844 MB of memory in use. ENERGY: 2094800 3958.5552 20402.0611 14554.1259 253.3696 -203940.2569 2991.1721 0.0000 0.0000 52172.2934 -109608.6796 299.8349 -161780.9730 -109249.7217 299.1224 57.9485 89.3038 759318.6068 -13.6570 -13.7095 PRESSURE: 2095000 -180.189 273.998 -24.6113 273.998 -361.326 -49.9557 -24.612 -49.9561 96.153 GPRESSURE: 2095000 -157.556 127.506 -37.6329 205.373 -298.595 -12.6556 95.7504 -164.739 87.4073 PRESSAVG: 2095000 -11.8541 23.5988 -18.5359 23.5987 -35.115 -21.528 -18.5359 -21.528 9.79537 GPRESSAVG: 2095000 -11.6268 22.3899 -18.9157 24.5879 -35.1618 -21.6603 -17.4161 -20.8056 9.63975 TIMING: 2095000 CPU: 6608.49, 0.00320291/step Wall: 6608.49, 0.00320291/step, 2.58457 hours remaining, 237.839844 MB of memory in use. ENERGY: 2095000 4014.3559 20359.8349 14524.9337 252.7263 -203449.2414 2545.0427 0.0000 0.0000 52083.8454 -109668.5027 299.3266 -161752.3480 -109314.5705 299.2005 -148.4540 -122.9143 760985.4712 -12.3912 -12.3829 PRESSURE: 2095200 114.556 211.962 -85.8779 211.962 138.99 -251.75 -85.8781 -251.75 29.5098 GPRESSURE: 2095200 142.647 248.071 -14.2208 70.1055 196.332 -241.078 0.98466 -242.973 35.277 PRESSAVG: 2095200 -56.125 -6.26974 12.0542 -6.26975 47.7025 -12.1941 12.0542 -12.1942 15.0361 GPRESSAVG: 2095200 -57.5192 -5.67111 13.4667 -6.86597 48.9764 -12.8291 11.5613 -13.8658 15.1761 TIMING: 2095200 CPU: 6609.14, 0.00320172/step Wall: 6609.14, 0.00320172/step, 2.58343 hours remaining, 237.839844 MB of memory in use. ENERGY: 2095200 4008.6424 20469.9143 14459.3614 258.1654 -204026.2054 2941.8344 0.0000 0.0000 52219.2410 -109669.0466 300.1047 -161888.2876 -109305.0463 298.7011 94.3519 124.7520 761185.7432 2.2045 2.2111 PRESSURE: 2095400 -548.813 -232.834 317.288 -232.834 96.5965 -17.2375 317.288 -17.2368 59.2382 GPRESSURE: 2095400 -382.918 -161.199 331.592 -185.719 42.6767 -26.9812 281.667 -98.0638 19.7052 PRESSAVG: 2095400 -54.5473 61.4367 31.1173 61.4366 31.425 7.6133 31.1173 7.61336 -7.6661 GPRESSAVG: 2095400 -52.9831 62.0627 30.3615 63.1808 29.9872 7.00554 30.6132 9.30692 -7.81719 TIMING: 2095400 CPU: 6609.78, 0.00320706/step Wall: 6609.78, 0.00320706/step, 2.58756 hours remaining, 237.839844 MB of memory in use. ENERGY: 2095400 3933.3739 20414.7201 14553.9824 256.9680 -203391.2234 2530.2920 0.0000 0.0000 52018.7926 -109683.0944 298.9527 -161701.8870 -109312.1017 298.5510 -130.9928 -106.8454 761246.0639 -10.2628 -10.2710 PRESSURE: 2095600 276.083 -6.60043 200.866 -6.60042 43.0039 38.6846 200.866 38.685 58.6345 GPRESSURE: 2095600 239.819 -32.309 146.573 -65.1005 61.4286 93.9897 305.461 80.7954 126.144 PRESSAVG: 2095600 27.7915 -22.6649 15.637 -22.6649 31.5972 87.0766 15.6371 87.0766 11.5843 GPRESSAVG: 2095600 27.0806 -23.9292 16.4813 -22.5805 33.1993 87.9381 15.8211 86.4481 11.0705 TIMING: 2095600 CPU: 6610.41, 0.00319043/step Wall: 6610.41, 0.00319043/step, 2.57397 hours remaining, 237.839844 MB of memory in use. ENERGY: 2095600 4057.2744 20575.5610 14491.2346 238.0261 -203498.6706 2370.2583 0.0000 0.0000 52222.7214 -109543.5947 300.1247 -161766.3161 -109192.1945 298.6298 125.9072 142.4639 761725.1862 23.6577 23.7835 PRESSURE: 2095800 174.72 -16.43 -94.9068 -16.4307 -275.426 91.4003 -94.9066 91.3998 -265.113 GPRESSURE: 2095800 211.069 23.1258 -92.4497 -13.4494 -325.901 -38.7203 -51.5893 261.544 -177.407 PRESSAVG: 2095800 -20.0083 2.54748 12.9196 2.54743 17.4259 -0.312832 12.9195 -0.312843 21.205 GPRESSAVG: 2095800 -18.784 3.52405 13.0321 1.73782 15.5164 -0.557721 12.4514 -0.268234 21.5184 TIMING: 2095800 CPU: 6611.05, 0.00319711/step Wall: 6611.05, 0.00319711/step, 2.57918 hours remaining, 237.839844 MB of memory in use. ENERGY: 2095800 4035.6650 20577.2369 14544.9709 244.1378 -203395.6674 2607.6068 0.0000 0.0000 51815.0223 -109571.0279 297.7816 -161386.0502 -109208.2108 298.5674 -121.9395 -97.4130 762107.5908 6.2075 6.0836 PRESSURE: 2096000 -283.094 61.3973 -186.092 61.3974 -50.3045 -138.527 -186.093 -138.527 -367.078 GPRESSURE: 2096000 -209.943 107.77 -199.781 150.408 -58.7249 -34.0545 -142.961 -159.429 -336.19 PRESSAVG: 2096000 -11.2501 9.82196 12.5661 9.82195 35.0299 -42.7052 12.5662 -42.7052 -9.87964 GPRESSAVG: 2096000 -12.7247 6.7983 12.0976 11.1995 35.8722 -42.2668 12.331 -44.5141 -9.26393 TIMING: 2096000 CPU: 6611.7, 0.00320834/step Wall: 6611.7, 0.00320834/step, 2.58806 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2096000 4040.7382 20530.7173 14566.7822 236.6429 -203665.1537 2565.5991 0.0000 0.0000 52215.7983 -109508.8757 300.0849 -161724.6740 -109141.1143 299.3719 -233.4920 -201.6193 760943.7802 4.6334 4.6279 PRESSURE: 2096200 49.7961 -186.078 -44.8957 -186.077 300.898 112.642 -44.8963 112.642 271.036 GPRESSURE: 2096200 13.7166 -253.78 8.39823 -202.632 397.271 142.006 -112.096 200.825 303.562 PRESSAVG: 2096200 1.46151 -1.74966 -31.2151 -1.74963 52.3846 -13.5402 -31.215 -13.5402 -11.0641 GPRESSAVG: 2096200 1.31734 2.41902 -30.4491 -2.52077 53.1594 -12.2253 -30.4423 -12.8094 -11.5553 TIMING: 2096200 CPU: 6612.33, 0.00319273/step Wall: 6612.33, 0.00319273/step, 2.57529 hours remaining, 237.839844 MB of memory in use. ENERGY: 2096200 4089.8473 20487.7979 14581.3993 258.7330 -204004.0318 2959.6112 0.0000 0.0000 52035.4882 -109591.1549 299.0487 -161626.6431 -109231.5791 299.3753 207.2432 238.1830 759804.1326 14.2607 14.3072 LDB: ============= START OF LOAD BALANCING ============== 6624.74 LDB: ============== END OF LOAD BALANCING =============== 6624.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6624.74 LDB: ============= START OF LOAD BALANCING ============== 6625.06 LDB: Largest compute 7034 load 0.038147 is 19.5% of average load 0.195964 LDB: Average compute 0.004405 is 2.2% of average load 0.195964 LDB: TIME 6625.06 LOAD: AVG 0.195964 MAX 0.214637 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.688 MB LDB: TIME 6625.06 LOAD: AVG 0.195964 MAX 0.214637 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: TIME 6625.06 LOAD: AVG 0.195964 MAX 0.214637 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: ============== END OF LOAD BALANCING =============== 6625.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6625.07 PRESSURE: 2096400 54.5562 -78.9184 171.439 -78.9196 -1.86868 -11.9493 171.438 -11.9489 -344.373 GPRESSURE: 2096400 66.6878 -107.222 189.535 17.4405 41.092 19.7775 -50.3949 -9.19902 -325.023 PRESSAVG: 2096400 14.473 8.69678 -28.0923 8.6968 -27.6519 45.9378 -28.0924 45.9378 -17.7886 GPRESSAVG: 2096400 14.8018 9.32717 -29.13 8.91844 -28.7188 44.3501 -29.9583 48.2146 -16.721 TIMING: 2096400 CPU: 6612.99, 0.00326529/step Wall: 6612.99, 0.00326529/step, 2.63364 hours remaining, 238.464844 MB of memory in use. ENERGY: 2096400 3982.8700 20510.6091 14515.1588 249.2779 -203686.6936 2503.7654 0.0000 0.0000 52128.2130 -109796.7995 299.5816 -161925.0124 -109428.7141 298.8927 -97.2284 -72.4144 761264.2364 -10.3225 -10.2126 PRESSURE: 2096600 43.6564 146.952 -234.826 146.951 -72.2231 96.5766 -234.825 96.577 11.8995 GPRESSURE: 2096600 28.3349 63.2303 -213.155 154.657 -39.2242 117.732 -288.706 112.055 79.1272 PRESSAVG: 2096600 6.81623 -26.312 -14.943 -26.312 48.3652 33.6532 -14.943 33.6532 15.6447 GPRESSAVG: 2096600 8.13804 -27.3429 -15.0203 -28.0231 48.6513 34.0472 -15.1801 30.7403 13.7243 TIMING: 2096600 CPU: 6613.62, 0.00316367/step Wall: 6613.62, 0.00316366/step, 2.5515 hours remaining, 238.535156 MB of memory in use. ENERGY: 2096600 4013.8700 20614.9506 14525.4799 237.8957 -203567.5925 2494.4280 0.0000 0.0000 51943.4472 -109737.5211 298.5197 -161680.9683 -109383.5606 298.6528 -5.5557 22.7460 761302.9758 23.6087 23.5046 PRESSURE: 2096800 307.677 -41.0919 87.482 -41.0922 133.602 -18.7144 87.4818 -18.7145 502.161 GPRESSURE: 2096800 315.917 -66.368 103.623 -34.8042 147.167 64.7657 242.73 79.1794 571.316 PRESSAVG: 2096800 48.6002 12.6185 -42.7892 12.6185 21.8115 -9.17017 -42.7892 -9.17022 2.68472 GPRESSAVG: 2096800 46.3734 10.2204 -43.0083 13.1127 22.3951 -10.4589 -40.7888 -4.9601 4.26408 TIMING: 2096800 CPU: 6614.26, 0.00318178/step Wall: 6614.26, 0.00318177/step, 2.56592 hours remaining, 238.535156 MB of memory in use. ENERGY: 2096800 3970.8643 20578.9027 14412.9980 242.4075 -203932.1505 2861.2346 0.0000 0.0000 52015.1137 -109850.6297 298.9316 -161865.7434 -109487.6688 298.4567 314.4798 344.8003 760476.2831 24.3655 24.3442 PRESSURE: 2097000 -63.6293 9.96051 127.565 9.96051 -24.673 29.0128 127.566 29.0128 237.657 GPRESSURE: 2097000 -43.4055 115.538 139.99 -21.0069 65.1021 65.931 118.681 -20.1774 225.316 PRESSAVG: 2097000 50.0428 17.201 55.2894 17.201 -39.486 17.2312 55.2894 17.2313 0.635848 GPRESSAVG: 2097000 51.3001 19.2862 56.3596 16.6668 -39.8933 20.6104 54.1843 15.2701 -0.0148084 TIMING: 2097000 CPU: 6614.9, 0.00321791/step Wall: 6614.9, 0.00321792/step, 2.59489 hours remaining, 238.535156 MB of memory in use. ENERGY: 2097000 3965.5656 20668.7096 14467.8134 265.6592 -203563.5930 2539.5955 0.0000 0.0000 51878.5578 -109777.6920 298.1468 -161656.2499 -109415.3388 298.8018 49.7848 82.3374 759927.9923 3.7309 3.7973 PRESSURE: 2097200 136.67 124.697 -34.3787 124.697 -312.233 122.077 -34.3782 122.077 10.361 GPRESSURE: 2097200 191.398 17.8027 -11.8225 61.0586 -239.666 90.4032 31.1437 131.194 -5.4311 PRESSAVG: 2097200 85.0011 26.1534 13.218 26.1534 -69.996 -6.29929 13.218 -6.29924 24.9234 GPRESSAVG: 2097200 84.9844 25.4198 13.4351 28.2699 -70.6287 -7.9219 12.3688 -5.23184 25.5231 TIMING: 2097200 CPU: 6615.54, 0.00319207/step Wall: 6615.54, 0.00319207/step, 2.57387 hours remaining, 238.535156 MB of memory in use. ENERGY: 2097200 3896.9833 20494.3363 14485.1049 252.0350 -203643.5739 2586.4388 0.0000 0.0000 52176.8046 -109751.8710 299.8608 -161928.6756 -109391.8962 298.8044 -55.0674 -17.8997 762173.5255 13.3095 13.2929 PRESSURE: 2097400 78.4168 265.573 -7.5932 265.572 -61.8402 230.305 -7.59359 230.304 -62.1597 GPRESSURE: 2097400 137.389 140.293 -82.1959 317.46 -34.2049 170.322 -2.95794 207.157 -70.0709 PRESSAVG: 2097400 -16.2697 7.75018 -19.5498 7.75016 -18.0107 10.9626 -19.5497 10.9627 -24.8717 GPRESSAVG: 2097400 -15.5506 7.97241 -20.5976 7.84133 -19.0101 11.5972 -19.0132 9.13915 -24.6009 TIMING: 2097400 CPU: 6616.17, 0.00316713/step Wall: 6616.17, 0.00316713/step, 2.55358 hours remaining, 238.535156 MB of memory in use. ENERGY: 2097400 3991.3456 20598.3559 14417.5747 256.1886 -203718.8551 2765.6080 0.0000 0.0000 51643.8605 -110045.9218 296.7980 -161689.7824 -109686.4460 298.3792 -15.1944 11.0377 760356.9361 -19.7174 -19.7205 PRESSURE: 2097600 -1.11606 281.043 187.81 281.044 99.4231 296.825 187.81 296.825 252.52 GPRESSURE: 2097600 85.7783 200.539 143.219 329.634 146.25 220.939 166.496 331.848 209.169 PRESSAVG: 2097600 27.049 41.0632 21.0927 41.0632 -36.5271 -5.02695 21.0928 -5.02699 10.5093 GPRESSAVG: 2097600 26.9907 41.6762 19.8408 39.2601 -35.1912 -5.07867 21.3513 -5.92678 9.66367 TIMING: 2097600 CPU: 6616.8, 0.00316273/step Wall: 6616.8, 0.00316273/step, 2.54986 hours remaining, 238.535156 MB of memory in use. ENERGY: 2097600 3973.0670 20585.3346 14514.3667 259.3410 -203513.7721 2558.9654 0.0000 0.0000 51899.5430 -109723.1543 298.2674 -161622.6973 -109367.1768 298.5689 116.9423 147.0658 758593.1450 0.3437 0.4877 PRESSURE: 2097800 -163.536 -92.5486 -20.1903 -92.5489 501.627 -16.2247 -20.1909 -16.2244 192.742 GPRESSURE: 2097800 -156.664 -52.8767 -36.8967 -63.9876 560.78 -2.57677 28.2162 80.8267 195.925 PRESSAVG: 2097800 35.0632 -60.0206 8.7541 -60.0206 -19.9506 1.79488 8.7541 1.79481 14.4455 GPRESSAVG: 2097800 34.1369 -61.2144 9.26126 -56.1874 -19.0056 3.44951 8.42807 3.03828 14.5858 TIMING: 2097800 CPU: 6617.44, 0.00318991/step Wall: 6617.44, 0.00318991/step, 2.5716 hours remaining, 238.535156 MB of memory in use. ENERGY: 2097800 3982.9866 20650.8386 14428.4544 239.6722 -203502.8653 2522.9314 0.0000 0.0000 51967.6038 -109710.3783 298.6585 -161677.9820 -109352.6083 299.2513 176.9444 200.0138 760082.9088 9.8527 9.9057 PRESSURE: 2098000 -2.93582 -144.953 -92.2472 -144.953 -238.888 143.378 -92.2472 143.378 415.308 GPRESSURE: 2098000 78.9101 -63.9368 -118.292 -108.68 -198.038 39.2323 -132.793 152.998 366.425 PRESSAVG: 2098000 30.1669 3.79836 38.21 3.79845 -43.868 3.3103 38.2099 3.31033 -27.4796 GPRESSAVG: 2098000 31.5383 3.31847 38.4071 2.87569 -44.4655 2.76875 37.5055 4.25929 -28.0472 TIMING: 2098000 CPU: 6618.07, 0.00315958/step Wall: 6618.07, 0.00315958/step, 2.54698 hours remaining, 238.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2098000 3949.2276 20423.0360 14509.5179 241.2442 -203663.7663 2643.6396 0.0000 0.0000 52111.5154 -109785.5855 299.4856 -161897.1010 -109423.3375 298.4535 57.8281 82.4323 759631.9826 -13.7269 -13.6582 PRESSURE: 2098200 56.1034 -108.024 39.6454 -108.023 27.5186 64.4191 39.6452 64.4179 211.106 GPRESSURE: 2098200 103.941 22.5159 51.4998 -134.64 13.7332 69.0347 -68.2348 25.4261 249.802 PRESSAVG: 2098200 111.512 5.62324 -21.7614 5.62325 -86.4031 39.3906 -21.7614 39.3907 15.1231 GPRESSAVG: 2098200 109.222 6.75895 -21.4147 5.46764 -85.8107 38.5883 -20.8762 38.2522 15.9905 TIMING: 2098200 CPU: 6618.7, 0.0031458/step Wall: 6618.7, 0.0031458/step, 2.53569 hours remaining, 238.535156 MB of memory in use. ENERGY: 2098200 3976.3683 20376.9311 14444.4174 246.6669 -203710.2287 2531.9260 0.0000 0.0000 52172.9888 -109960.9301 299.8389 -162133.9189 -109596.9024 298.9953 98.2426 122.4921 758935.2001 13.4105 13.1339 PRESSURE: 2098400 52.7058 28.4429 -76.7824 28.4429 340.728 -219.003 -76.7825 -219.003 284.333 GPRESSURE: 2098400 151.866 159.062 -36.9984 -4.90131 329.299 -216.075 -71.614 -318.261 300.688 PRESSAVG: 2098400 21.8618 -14.906 26.3293 -14.9059 25.4245 13.6606 26.3294 13.6606 13.9563 GPRESSAVG: 2098400 23.8152 -15.9384 25.2873 -13.8173 23.9733 13.8581 25.7711 13.6575 13.5709 TIMING: 2098400 CPU: 6619.34, 0.00316019/step Wall: 6619.34, 0.00316019/step, 2.54711 hours remaining, 238.535156 MB of memory in use. ENERGY: 2098400 4028.2436 20509.2180 14440.3261 239.3210 -203979.1017 2923.6964 0.0000 0.0000 52051.6947 -109786.6019 299.1418 -161838.2966 -109427.1362 298.9648 225.9223 260.6175 758392.3375 20.4142 20.4531 PRESSURE: 2098600 -267.011 333.096 10.6739 333.096 -134.337 -29.6468 10.673 -29.6468 -203.716 GPRESSURE: 2098600 -182.548 325.515 132.24 385.497 -123.391 4.08943 -46.8206 -38.7379 -227.198 PRESSAVG: 2098600 -23.1189 -24.6576 -1.24863 -24.6576 79.9509 -11.0937 -1.24859 -11.0936 19.7813 GPRESSAVG: 2098600 -23.0821 -24.7219 0.316785 -24.6684 79.7145 -11.8336 -1.50378 -11.2973 19.6179 TIMING: 2098600 CPU: 6619.97, 0.00318128/step Wall: 6619.97, 0.00318128/step, 2.56393 hours remaining, 238.535156 MB of memory in use. ENERGY: 2098600 4025.3576 20649.6893 14461.5783 225.4153 -203963.1691 2809.7336 0.0000 0.0000 52145.8261 -109645.5690 299.6828 -161791.3951 -109280.2330 299.4977 -201.6879 -177.7125 759130.1513 25.5378 25.4168 PRESSURE: 2098800 -289.469 -154.862 -95.7201 -154.862 56.0187 259.928 -95.7199 259.928 -79.1479 GPRESSURE: 2098800 -245.235 -216.291 -125.93 -47.5397 111.807 218.748 -141.246 353.919 -79.4785 PRESSAVG: 2098800 50.2463 14.1044 -9.61473 14.1045 -47.0403 33.7174 -9.61477 33.7174 -6.68349 GPRESSAVG: 2098800 50.0041 14.021 -10.8923 11.2259 -45.7827 36.035 -9.27954 34.224 -7.28863 TIMING: 2098800 CPU: 6620.6, 0.00316047/step Wall: 6620.6, 0.00316047/step, 2.54699 hours remaining, 238.535156 MB of memory in use. ENERGY: 2098800 4078.6892 20500.4969 14432.9404 251.0301 -203644.3887 2634.6324 0.0000 0.0000 52114.9790 -109631.6207 299.5055 -161746.5998 -109270.3824 299.7367 -104.1994 -70.9687 759904.8004 -1.1592 -1.0224 PRESSURE: 2099000 154.798 172.298 -13.8609 172.299 -246.665 156.1 -13.8607 156.101 167.451 GPRESSURE: 2099000 205.852 168.208 -28.173 124.889 -198.98 148.295 118.245 2.62064 137.302 PRESSAVG: 2099000 18.7793 -17.8864 12.6693 -17.8864 -47.9853 53.5146 12.6694 53.5145 5.80498 GPRESSAVG: 2099000 18.7144 -18.0722 13.4424 -16.2754 -47.0738 51.7131 14.823 52.2728 4.45303 TIMING: 2099000 CPU: 6621.23, 0.00315147/step Wall: 6621.23, 0.00315147/step, 2.53956 hours remaining, 238.535156 MB of memory in use. ENERGY: 2099000 4015.7425 20620.5633 14400.3245 242.0576 -203293.4246 2274.0382 0.0000 0.0000 52161.8143 -109578.8841 299.7747 -161740.6985 -109219.9670 298.8788 25.1948 48.0578 758921.2376 -7.8003 -7.9688 PRESSURE: 2099200 132.202 -71.8599 14.4028 -71.8605 -227.409 5.44317 14.4023 5.44363 -454.369 GPRESSURE: 2099200 74.487 -134.801 64.0011 -41.356 -159.25 -70.2639 -88.2621 47.0716 -398.297 PRESSAVG: 2099200 61.4755 -56.8753 12.6462 -56.8753 -45.7405 -1.20378 12.6462 -1.20373 -2.505 GPRESSAVG: 2099200 60.3911 -57.4423 12.8908 -57.0771 -46.8895 -1.54394 11.1203 -0.439359 0.38136 TIMING: 2099200 CPU: 6621.87, 0.00316279/step Wall: 6621.87, 0.00316279/step, 2.5485 hours remaining, 238.535156 MB of memory in use. ENERGY: 2099200 4029.7967 20582.7889 14412.5563 253.0149 -203358.5896 2332.9155 0.0000 0.0000 52201.2344 -109546.2829 300.0012 -161747.5173 -109185.8489 300.1459 -183.1918 -161.0202 760534.1605 4.4100 4.6276 PRESSURE: 2099400 516.591 -21.7036 -64.9497 -21.7031 -36.3088 -59.5341 -64.9493 -59.5336 5.2861 GPRESSURE: 2099400 506.75 -69.2331 -55.1167 54.379 -7.034 43.9611 -130.111 -3.30826 59.2017 PRESSAVG: 2099400 27.7317 -43.322 -58.6825 -43.322 -38.3702 -40.2653 -58.6824 -40.2653 23.7458 GPRESSAVG: 2099400 28.4954 -42.1277 -58.7845 -42.5584 -38.2512 -39.2943 -59.9768 -38.5714 22.3842 TIMING: 2099400 CPU: 6622.5, 0.0031601/step Wall: 6622.5, 0.0031601/step, 2.54616 hours remaining, 238.535156 MB of memory in use. ENERGY: 2099400 3950.3736 20605.7082 14384.2487 246.7334 -203559.7336 2509.3626 0.0000 0.0000 52186.0668 -109677.2404 299.9140 -161863.3072 -109309.6998 299.2545 161.8560 186.3058 758960.7474 4.3691 4.2095 PRESSURE: 2099600 -180.145 -185.748 -118.191 -185.748 18.253 132.367 -118.191 132.367 -159.796 GPRESSURE: 2099600 -84.6166 -150.636 -33.5243 -129.268 -1.2745 123.183 -138.832 15.2099 -160.849 PRESSAVG: 2099600 13.4444 3.29264 -11.7462 3.29264 3.00416 9.86464 -11.7461 9.8647 17.7746 GPRESSAVG: 2099600 13.6137 3.7673 -10.1047 1.96784 2.01481 9.51989 -12.3917 9.10731 18.1466 TIMING: 2099600 CPU: 6623.14, 0.00319095/step Wall: 6623.14, 0.00319095/step, 2.57084 hours remaining, 238.535156 MB of memory in use. ENERGY: 2099600 3976.0748 20523.9144 14425.6869 251.2215 -203287.9452 2342.3699 0.0000 0.0000 52233.8021 -109534.8756 300.1884 -161768.6777 -109169.2152 299.9516 -107.2294 -82.2467 759747.8011 11.4077 11.2584 PRESSURE: 2099800 58.3343 -72.9973 57.4207 -72.9969 -308.863 235.739 57.4215 235.738 -80.1907 GPRESSURE: 2099800 62.0451 -42.2207 -6.06472 -32.5553 -187.979 303.368 86.6288 154.417 -117.746 PRESSAVG: 2099800 25.5121 13.1543 39.6235 13.1543 -16.8228 20.3373 39.6236 20.3373 -12.0178 GPRESSAVG: 2099800 25.8536 15.1113 38.7541 12.3599 -17.301 19.3495 42.2037 19.5988 -11.8711 TIMING: 2099800 CPU: 6623.77, 0.0031666/step Wall: 6623.77, 0.0031666/step, 2.55105 hours remaining, 238.535156 MB of memory in use. ENERGY: 2099800 3987.8153 20651.5668 14505.1553 244.0687 -203280.6653 2397.0857 0.0000 0.0000 51996.0277 -109498.9458 298.8219 -161494.9735 -109135.0352 299.6727 -110.2398 -81.2265 761668.5195 -1.1095 -1.1062 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2100000 -469.502 -64.2943 -73.8751 -64.2939 -327.765 -39.5156 -73.8757 -39.5148 186.452 GPRESSURE: 2100000 -410.89 113.679 -153.794 -219.673 -292.078 7.073 137.497 -130.483 186.02 PRESSAVG: 2100000 20.7494 14.0145 33.5946 14.0145 -8.66305 22.1125 33.5946 22.1125 -5.28704 GPRESSAVG: 2100000 21.1455 11.3669 31.6516 13.3354 -7.23984 21.7184 34.5798 24.1324 -7.1248 TIMING: 2100000 CPU: 6624.42, 0.00323962/step Wall: 6624.42, 0.00323962/step, 2.60969 hours remaining, 238.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2100000 3995.5077 20494.0193 14480.2479 250.9459 -203421.7502 2615.5741 0.0000 0.0000 52202.1038 -109383.3516 300.0062 -161585.4554 -109034.6916 299.4673 -203.6051 -172.3162 762600.4813 2.2664 2.2603 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 94.4227 138.738 76.0712 138.738 40.1433 65.409 76.0713 65.4093 -460.903 GPRESSURE: 2100200 124.599 172.055 165.179 58.4287 58.2165 20.6333 73.1754 -43.0419 -438.994 PRESSAVG: 2100200 34.6101 28.1225 32.5474 28.1226 -44.548 19.0704 32.5474 19.0704 -7.29838 GPRESSAVG: 2100200 32.9768 28.716 33.7149 28.9342 -44.9761 20.9912 31.9489 17.8507 -5.31449 TIMING: 2100200 CPU: 6625.06, 0.00319031/step Wall: 6625.06, 0.00319031/step, 2.5698 hours remaining, 238.535156 MB of memory in use. ENERGY: 2100200 3996.3343 20349.5657 14504.8306 278.6174 -203444.8957 2481.0679 0.0000 0.0000 52355.5905 -109478.8892 300.8883 -161834.4797 -109114.9637 299.3295 -108.7791 -85.3930 760399.7670 -5.7454 -5.7713 LDB: ============= START OF LOAD BALANCING ============== 6637.45 LDB: ============== END OF LOAD BALANCING =============== 6637.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6637.46 LDB: ============= START OF LOAD BALANCING ============== 6637.77 LDB: Largest compute 7025 load 0.035588 is 18.2% of average load 0.195914 LDB: Average compute 0.004407 is 2.2% of average load 0.195914 LDB: TIME 6637.77 LOAD: AVG 0.195914 MAX 0.216713 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.746 MB LDB: TIME 6637.77 LOAD: AVG 0.195914 MAX 0.216713 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.816 MB LDB: TIME 6637.77 LOAD: AVG 0.195914 MAX 0.216713 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.816 MB LDB: ============== END OF LOAD BALANCING =============== 6637.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6637.78 PRESSURE: 2100400 -272.04 142.035 -175.326 142.035 -141.515 77.4581 -175.326 77.4588 -387.722 GPRESSURE: 2100400 -218.213 160.103 -99.5909 204.124 -186.391 103.875 -78.5567 26.7236 -305.526 PRESSAVG: 2100400 59.7011 -12.8636 48.8174 -12.8635 -35.6746 41.3047 48.8174 41.3047 -3.90776 GPRESSAVG: 2100400 60.9036 -12.1042 48.753 -14.9548 -35.3744 41.1718 48.9183 40.8556 -4.7874 TIMING: 2100400 CPU: 6625.7, 0.0032132/step Wall: 6625.7, 0.0032132/step, 2.58806 hours remaining, 238.917969 MB of memory in use. ENERGY: 2100400 4112.8036 20580.8955 14428.2819 260.1800 -203235.1177 2405.1758 0.0000 0.0000 51922.8165 -109524.9644 298.4011 -161447.7809 -109167.9053 299.5921 -267.0921 -236.7101 761937.3193 6.7062 6.9139 PRESSURE: 2100600 86.5904 -5.84676 -99.6889 -5.84676 -99.3948 214.695 -99.6885 214.695 112.173 GPRESSURE: 2100600 61.8284 -159.497 -96.832 -21.7371 -6.18692 208.449 -101.213 101.706 123.119 PRESSAVG: 2100600 47.396 8.41294 37.3645 8.4129 -55.6615 40.2665 37.3645 40.2665 -11.1226 GPRESSAVG: 2100600 47.184 6.10681 37.5649 8.8025 -54.7021 39.5737 38.0674 42.9925 -11.6233 TIMING: 2100600 CPU: 6626.33, 0.00313247/step Wall: 6626.33, 0.00313247/step, 2.52285 hours remaining, 239.121094 MB of memory in use. ENERGY: 2100600 3931.7221 20655.8611 14381.5648 244.0183 -203070.4676 2359.7093 0.0000 0.0000 51946.0439 -109551.5481 298.5346 -161497.5921 -109184.5169 298.9541 33.1228 59.5868 761496.6474 -6.4627 -6.3805 PRESSURE: 2100800 -160.218 -61.0112 -185.151 -61.0118 2.62324 -24.5711 -185.151 -24.5724 145.287 GPRESSURE: 2100800 -97.2556 -161.664 -198.521 -94.9593 33.9845 -86.0683 -127.415 -31.3572 128.547 PRESSAVG: 2100800 -30.4579 35.6615 3.6773 35.6614 8.16956 54.4562 3.67731 54.4562 -14.1789 GPRESSAVG: 2100800 -28.9872 37.7211 4.41007 34.8819 6.94529 54.4524 3.79722 50.6433 -14.0611 TIMING: 2100800 CPU: 6626.96, 0.00315122/step Wall: 6626.96, 0.00315122/step, 2.53778 hours remaining, 239.121094 MB of memory in use. ENERGY: 2100800 3991.0352 20512.7102 14430.1034 244.6986 -203389.4793 2618.6889 0.0000 0.0000 52039.9394 -109552.3036 299.0742 -161592.2429 -109196.4573 299.1810 -4.1025 21.7587 762663.2038 -12.1558 -12.0343 PRESSURE: 2101000 -345.716 -120.808 -150.329 -120.807 97.4147 -140.499 -150.328 -140.499 275.852 GPRESSURE: 2101000 -291.415 -110.019 -73.477 -212.788 118.624 -110.473 -135.71 -49.0719 305.987 PRESSAVG: 2101000 84.7092 -49.3315 46.7434 -49.3315 -56.7733 35.0542 46.7434 35.0543 17.0471 GPRESSAVG: 2101000 83.4912 -50.5072 45.5111 -45.5019 -55.7428 35.567 45.6671 37.7559 17.5061 TIMING: 2101000 CPU: 6627.59, 0.00318014/step Wall: 6627.59, 0.00318014/step, 2.56089 hours remaining, 239.121094 MB of memory in use. ENERGY: 2101000 4013.4030 20534.4061 14475.7029 235.4421 -203279.5099 2502.6462 0.0000 0.0000 51956.3258 -109561.5837 298.5937 -161517.9095 -109199.6261 298.8877 9.1833 44.3986 761948.6407 14.9943 15.0848 PRESSURE: 2101200 -114.965 215.193 216.927 215.192 -169.114 -5.679 216.927 -5.67839 -610 GPRESSURE: 2101200 -170.492 136.404 115.833 143.624 -95.2074 59.7398 169.86 28.0861 -533.155 PRESSAVG: 2101200 37.0067 -20.271 21.5077 -20.271 -35.7087 18.8614 21.5078 18.8614 1.46861 GPRESSAVG: 2101200 36.1738 -20.4618 21.4218 -23.1313 -35.8587 18.9673 21.3118 18.3985 2.43606 TIMING: 2101200 CPU: 6628.23, 0.00320851/step Wall: 6628.23, 0.00320851/step, 2.58356 hours remaining, 239.121094 MB of memory in use. ENERGY: 2101200 3935.4699 20588.6661 14467.6904 228.0708 -203186.3195 2379.7150 0.0000 0.0000 52315.4725 -109271.2349 300.6577 -161586.7075 -108894.7815 299.6892 -298.0262 -266.2849 762717.7869 0.9222 0.9170 PRESSURE: 2101400 165.237 -307.765 -139.635 -307.764 -134.58 129.969 -139.634 129.969 -90.6792 GPRESSURE: 2101400 155.125 -396.647 -71.6297 -199.953 -25.4496 189.634 -99.1234 149.058 -86.039 PRESSAVG: 2101400 -2.81619 -56.3859 52.4818 -56.3859 35.7659 69.1454 52.4818 69.1454 -0.763364 GPRESSAVG: 2101400 -3.09191 -56.3293 50.876 -55.1478 36.3067 69.2763 54.8823 70.2191 -1.08733 TIMING: 2101400 CPU: 6628.87, 0.00320042/step Wall: 6628.87, 0.00320042/step, 2.57687 hours remaining, 239.121094 MB of memory in use. ENERGY: 2101400 3877.5350 20445.5289 14481.7122 238.6188 -203697.7738 2710.3779 0.0000 0.0000 52357.1086 -109586.8923 300.8970 -161944.0009 -109209.1716 299.6785 -20.0073 14.5455 761520.5639 10.7288 10.7091 PRESSURE: 2101600 132.055 -255.474 -88.12 -255.474 131.357 29.6369 -88.1198 29.6376 233.699 GPRESSURE: 2101600 271.95 -261.048 -71.2683 -216.501 86.0397 70.4904 -181.198 -52.9971 221.572 PRESSAVG: 2101600 25.3038 -53.3868 38.0855 -53.3869 -8.78272 8.97519 38.0855 8.9752 -5.00835 GPRESSAVG: 2101600 26.1237 -54.6857 40.2481 -52.9494 -9.49428 8.88643 35.8205 6.97716 -5.1298 TIMING: 2101600 CPU: 6629.51, 0.00318695/step Wall: 6629.51, 0.00318695/step, 2.56585 hours remaining, 239.121094 MB of memory in use. ENERGY: 2101600 3921.0472 20447.6301 14453.9690 227.3417 -203463.7436 2474.3773 0.0000 0.0000 52442.6428 -109496.7353 301.3886 -161939.3781 -109124.7667 299.8613 165.7038 193.1872 761820.9308 3.8376 3.8332 PRESSURE: 2101800 13.0966 -135.668 -4.91017 -135.668 -54.7889 -52.6969 -4.90946 -52.6981 267.933 GPRESSURE: 2101800 48.687 -162.93 2.94042 -20.1853 -13.6761 -19.9613 -2.57984 -172.411 289.435 PRESSAVG: 2101800 33.0285 -42.1624 35.8167 -42.1624 -7.32136 -15.3101 35.8167 -15.3101 -12.7156 GPRESSAVG: 2101800 32.9308 -40.7378 35.661 -43.0302 -6.49589 -17.3365 35.11 -16.4048 -13.3878 TIMING: 2101800 CPU: 6630.14, 0.00315777/step Wall: 6630.14, 0.00315777/step, 2.54218 hours remaining, 239.121094 MB of memory in use. ENERGY: 2101800 3987.8565 20486.6121 14439.8283 231.4205 -203793.8739 2811.7385 0.0000 0.0000 52088.7154 -109747.7025 299.3546 -161836.4180 -109381.1361 298.9893 75.4137 108.1486 761347.7505 4.3305 4.3490 PRESSURE: 2102000 108.205 -7.72799 181.058 -7.72885 -56.3084 176.873 181.059 176.872 265.466 GPRESSURE: 2102000 106.437 -15.2897 159.019 -115.811 33.5757 159.986 27.3029 121.943 235.743 PRESSAVG: 2102000 -12.0451 -45.9367 -6.07882 -45.9367 3.16639 13.7544 -6.07879 13.7544 4.33325 GPRESSAVG: 2102000 -12.0461 -46.4115 -7.5645 -45.7433 3.32531 15.2956 -4.64972 15.2796 4.26972 TIMING: 2102000 CPU: 6630.77, 0.0031478/step Wall: 6630.77, 0.0031478/step, 2.53398 hours remaining, 239.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 3999.1446 20731.4947 14389.1524 239.7314 -204126.2432 2919.2674 0.0000 0.0000 51969.5975 -109877.8552 298.6700 -161847.4527 -109524.0510 298.6540 105.7873 125.2519 761332.2948 -1.5151 -1.4837 PRESSURE: 2102200 467.333 -60.3516 188.414 -60.3512 -14.8819 -249.593 188.415 -249.593 132.584 GPRESSURE: 2102200 480.845 -7.63269 96.2861 -165.575 -5.84708 -257.565 43.2895 -208.641 156.873 PRESSAVG: 2102200 28.5743 -34.8242 -26.8447 -34.8242 0.495189 29.0541 -26.8447 29.0541 11.1528 GPRESSAVG: 2102200 27.9194 -36.2023 -25.682 -32.9267 -1.00897 28.9931 -27.3177 29.6443 12.9694 TIMING: 2102200 CPU: 6631.4, 0.00313328/step Wall: 6631.4, 0.00313328/step, 2.52211 hours remaining, 239.121094 MB of memory in use. ENERGY: 2102200 3987.7410 20440.7055 14379.0671 264.6285 -203847.1670 2985.9002 0.0000 0.0000 51858.8284 -109930.2963 298.0334 -161789.1246 -109567.4101 298.3036 195.0116 210.6236 759763.0978 13.4074 13.2933 PRESSURE: 2102400 -323.181 -81.1373 -110.262 -81.1375 88.8637 197.639 -110.262 197.639 296.162 GPRESSURE: 2102400 -295.31 -177.104 -197.366 -99.4255 147.302 226.834 80.1618 217.141 300.472 PRESSAVG: 2102400 -3.04797 -15.4106 -17.6268 -15.4106 30.5053 36.7448 -17.6267 36.7447 -16.9284 GPRESSAVG: 2102400 -2.21974 -14.7448 -17.7969 -15.6853 30.5583 37.1872 -16.5728 34.6677 -17.5397 TIMING: 2102400 CPU: 6632.02, 0.00312682/step Wall: 6632.02, 0.00312682/step, 2.51675 hours remaining, 239.121094 MB of memory in use. ENERGY: 2102400 3995.7794 20676.8523 14347.9038 230.4721 -203068.3988 2481.6593 0.0000 0.0000 51532.8204 -109802.9115 296.1598 -161335.7319 -109450.1033 298.1779 20.6150 50.8212 761519.9713 3.5096 3.5996 PRESSURE: 2102600 207.138 -254.366 30.6831 -254.365 -185.111 -293.118 30.6833 -293.118 9.73034 GPRESSURE: 2102600 252.475 -208.688 -75.156 -199.355 -166.621 -274.299 132.179 -331.814 57.7675 PRESSAVG: 2102600 0.496627 -0.527988 8.12513 -0.52799 -13.5949 36.4393 8.12518 36.4393 5.68272 GPRESSAVG: 2102600 0.0340532 0.0244049 7.43208 -2.34604 -12.6964 36.1242 9.85991 37.0055 5.21375 TIMING: 2102600 CPU: 6632.65, 0.00311522/step Wall: 6632.65, 0.00311522/step, 2.50723 hours remaining, 239.121094 MB of memory in use. ENERGY: 2102600 3933.1366 20448.6073 14411.0398 247.8662 -203360.3344 2731.1946 0.0000 0.0000 52028.7820 -109559.7078 299.0101 -161588.4898 -109206.2971 298.3439 10.5857 47.8740 761800.9642 -2.4719 -2.4829 PRESSURE: 2102800 37.0359 -52.6144 79.8502 -52.6145 -16.702 -31.6127 79.8498 -31.6123 -270.392 GPRESSURE: 2102800 142.898 -10.1955 58.2677 -42.808 20.681 29.4297 -1.14943 -31.9656 -316.653 PRESSAVG: 2102800 11.2526 -49.2749 39.3241 -49.275 10.2783 25.1753 39.3241 25.1754 5.61366 GPRESSAVG: 2102800 11.1355 -48.5811 40.0141 -49.6152 10.6338 24.6735 37.1003 23.9587 5.23649 TIMING: 2102800 CPU: 6633.27, 0.00313325/step Wall: 6633.27, 0.00313325/step, 2.52157 hours remaining, 239.121094 MB of memory in use. ENERGY: 2102800 3912.0079 20401.2120 14481.2718 263.2595 -203347.6967 2409.4515 0.0000 0.0000 52130.4124 -109750.0815 299.5942 -161880.4939 -109386.2566 298.3372 -83.3526 -51.0244 761704.2118 9.0482 9.0019 PRESSURE: 2103000 -322.71 -133.343 149.111 -133.343 13.0755 242.501 149.111 242.502 -185.976 GPRESSURE: 2103000 -228.84 -113.444 77.1115 -161.445 -50.3148 215.774 147.635 163.443 -153.196 PRESSAVG: 2103000 -49.7664 -39.3857 -50.6576 -39.3857 33.9096 17.1829 -50.6576 17.1831 14.1145 GPRESSAVG: 2103000 -49.0155 -38.8718 -50.3281 -37.6629 32.8408 16.3253 -51.3104 19.3192 14.4856 TIMING: 2103000 CPU: 6633.9, 0.00313428/step Wall: 6633.9, 0.00313428/step, 2.52222 hours remaining, 239.121094 MB of memory in use. ENERGY: 2103000 3979.4244 20626.5386 14424.6062 239.2986 -203259.7568 2321.0458 0.0000 0.0000 52037.0484 -109631.7947 299.0576 -161668.8431 -109267.8271 298.8073 -165.2035 -144.1172 759515.8383 -0.5808 -0.5630 PRESSURE: 2103200 290.521 -203.463 -35.8787 -203.463 -389.431 227.77 -35.8786 227.769 -213.846 GPRESSURE: 2103200 320.33 -257.282 2.44304 -309.406 -347.528 286.549 -36.6342 257.647 -206.641 PRESSAVG: 2103200 -8.00463 -3.5275 -28.2171 -3.52752 43.5098 33.747 -28.2171 33.747 13.9409 GPRESSAVG: 2103200 -8.13106 -4.6084 -29.0608 -5.89055 43.6522 35.9575 -27.0694 32.3084 14.0171 TIMING: 2103200 CPU: 6634.53, 0.0031415/step Wall: 6634.53, 0.0031415/step, 2.52786 hours remaining, 239.121094 MB of memory in use. ENERGY: 2103200 3960.0177 20537.6384 14437.5543 260.3110 -203041.0487 2393.5983 0.0000 0.0000 51909.1614 -109542.7677 298.3227 -161451.9291 -109193.0780 299.0862 -104.2520 -77.9462 760392.9618 16.4820 16.5128 PRESSURE: 2103400 29.7779 -87.1567 40.9146 -87.157 592.423 89.2164 40.9149 89.2159 -277.118 GPRESSURE: 2103400 134.387 -17.9948 6.67917 -36.836 535.924 70.562 82.8736 16.5816 -250.812 PRESSAVG: 2103400 2.96305 32.4325 -15.1821 32.4324 26.3483 -13.5066 -15.1821 -13.5067 -4.29619 GPRESSAVG: 2103400 2.88744 32.3422 -14.1938 32.8102 26.3912 -14.132 -14.259 -13.7682 -3.7311 TIMING: 2103400 CPU: 6635.16, 0.0031368/step Wall: 6635.16, 0.0031368/step, 2.5239 hours remaining, 239.121094 MB of memory in use. ENERGY: 2103400 3941.7799 20529.0680 14448.7550 244.0896 -203662.9427 2744.2709 0.0000 0.0000 52218.7152 -109536.2640 300.1017 -161754.9793 -109168.6223 299.3284 115.0276 139.8331 758834.1756 8.3384 8.5158 PRESSURE: 2103600 261.583 115.196 -83.5541 115.195 -144.609 -149.177 -83.554 -149.177 62.9369 GPRESSURE: 2103600 272.27 66.4175 -3.60881 208.782 -74.193 -127.086 -91.2147 -178.136 97.5972 PRESSAVG: 2103600 15.8062 41.5829 -15.058 41.5829 3.24875 31.9083 -15.058 31.9083 -17.2199 GPRESSAVG: 2103600 16.1094 41.6422 -13.8977 43.6472 4.32805 31.5074 -15.3406 32.2437 -18.1908 TIMING: 2103600 CPU: 6635.79, 0.00314701/step Wall: 6635.79, 0.00314701/step, 2.53195 hours remaining, 239.121094 MB of memory in use. ENERGY: 2103600 4021.6938 20635.3660 14423.2456 250.0819 -203383.3429 2394.7689 0.0000 0.0000 52053.1768 -109605.0100 299.1503 -161658.1868 -109246.7258 299.1129 59.9705 98.5580 759895.5311 0.6117 0.7489 PRESSURE: 2103800 205.565 102.801 43.4344 102.802 -55.5353 7.55045 43.4345 7.55027 174.792 GPRESSURE: 2103800 197.138 132.124 66.1458 4.39373 27.5599 47.2604 -16.5688 -79.5298 209.361 PRESSAVG: 2103800 22.1804 -10.361 15.0837 -10.361 -43.7154 14.418 15.0837 14.418 16.1212 GPRESSAVG: 2103800 22.6046 -11.1752 13.4655 -11.5063 -44.6658 13.5026 15.4363 15.6578 16.1017 TIMING: 2103800 CPU: 6636.41, 0.00312828/step Wall: 6636.41, 0.00312828/step, 2.5167 hours remaining, 239.121094 MB of memory in use. ENERGY: 2103800 4041.8634 20701.4606 14420.3152 248.3234 -203267.1701 2613.0828 0.0000 0.0000 52140.1816 -109101.9430 299.6503 -161242.1246 -108745.3741 299.7442 108.2740 144.6863 763742.8133 -1.8046 -1.9865 PRESSURE: 2104000 -304.376 -26.378 -182.418 -26.378 -346.908 142.727 -182.419 142.727 -525.761 GPRESSURE: 2104000 -241.831 -90.6332 -100.849 -37.7393 -411.887 159.994 -217.538 93.7296 -453.497 PRESSAVG: 2104000 -3.46092 39.1136 -12.2842 39.1136 32.0439 5.70741 -12.2842 5.70747 28.0512 GPRESSAVG: 2104000 -4.03651 38.5199 -11.917 39.2069 32.495 5.84827 -12.8805 6.45102 27.3993 TIMING: 2104000 CPU: 6637.04, 0.00313228/step Wall: 6637.04, 0.00313228/step, 2.51974 hours remaining, 239.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2104000 3990.2707 20637.6606 14466.8578 253.1029 -202829.5435 2270.3115 0.0000 0.0000 51952.6534 -109258.6865 298.5726 -161211.3400 -108908.1205 299.8891 -392.3485 -369.0718 763099.7043 18.8781 18.6192 PRESSURE: 2104200 -346.531 186.803 18.1091 186.803 79.2277 175.436 18.1088 175.436 -562.035 GPRESSURE: 2104200 -304.256 197.655 -60.9492 106.224 9.5763 166.066 99.4746 60.1902 -443.206 PRESSAVG: 2104200 -1.1763 34.2623 -55.5718 34.2623 -32.5215 -21.6542 -55.5718 -21.6541 12.1441 GPRESSAVG: 2104200 -1.77162 36.0064 -54.2352 33.569 -32.9951 -20.2375 -56.6386 -23.115 12.7953 TIMING: 2104200 CPU: 6637.67, 0.00317022/step Wall: 6637.67, 0.00317022/step, 2.55009 hours remaining, 239.121094 MB of memory in use. ENERGY: 2104200 4073.9963 20676.1020 14413.3431 247.2927 -203301.2171 2409.0569 0.0000 0.0000 52028.0677 -109453.3584 299.0060 -161481.4262 -109089.3195 299.0983 -276.4459 -245.9618 761738.9293 -7.1846 -7.3238 LDB: ============= START OF LOAD BALANCING ============== 6650.07 LDB: ============== END OF LOAD BALANCING =============== 6650.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6650.07 LDB: ============= START OF LOAD BALANCING ============== 6650.39 LDB: Largest compute 7034 load 0.034680 is 17.7% of average load 0.195972 LDB: Average compute 0.004411 is 2.3% of average load 0.195972 LDB: TIME 6650.39 LOAD: AVG 0.195972 MAX 0.218193 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.988 MB LDB: TIME 6650.39 LOAD: AVG 0.195972 MAX 0.218193 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: TIME 6650.39 LOAD: AVG 0.195972 MAX 0.218193 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: ============== END OF LOAD BALANCING =============== 6650.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6650.4 PRESSURE: 2104400 -153.683 238.018 73.6035 238.018 -4.06714 -165.026 73.6041 -165.026 -90.4976 GPRESSURE: 2104400 -83.9536 191.662 15.8628 149.685 40.7311 -49.0419 11.1925 -247.856 -136.143 PRESSAVG: 2104400 -2.65229 11.7316 -42.8869 11.7316 -3.05005 -74.1087 -42.8869 -74.1086 17.4703 GPRESSAVG: 2104400 -3.07457 9.27893 -43.3405 11.7881 -2.79557 -73.9267 -42.6057 -73.5379 16.9424 TIMING: 2104400 CPU: 6638.31, 0.00320778/step Wall: 6638.31, 0.00320778/step, 2.58012 hours remaining, 240.472656 MB of memory in use. ENERGY: 2104400 4096.9199 20572.1564 14495.2877 254.5641 -203605.5510 2494.6063 0.0000 0.0000 52005.4071 -109686.6095 298.8758 -161692.0166 -109331.2468 299.2052 -82.7494 -59.7885 759992.4684 3.9227 3.6907 PRESSURE: 2104600 193.061 -94.1403 35.2674 -94.141 132.902 -41.8418 35.2667 -41.8433 440.025 GPRESSURE: 2104600 312.667 -51.1721 52.3857 -111.746 118.873 -73.6426 34.2962 -75.1132 419.253 PRESSAVG: 2104600 -8.3068 -4.89232 -63.404 -4.89232 19.4162 41.8146 -63.404 41.8146 0.920716 GPRESSAVG: 2104600 -9.35769 -4.26542 -66.0005 -4.94148 19.9275 39.5985 -60.249 42.1042 1.14479 TIMING: 2104600 CPU: 6638.94, 0.00314877/step Wall: 6638.94, 0.00314877/step, 2.53248 hours remaining, 240.472656 MB of memory in use. ENERGY: 2104600 4000.0684 20607.1212 14415.7750 251.8168 -203938.1785 2945.1707 0.0000 0.0000 52243.1017 -109475.1247 300.2418 -161718.2264 -109106.6907 299.7762 255.3294 283.5974 758282.8858 4.0100 3.9049 PRESSURE: 2104800 -32.8854 225.48 62.6759 225.48 -96.1776 53.6152 62.6757 53.6144 60.5884 GPRESSURE: 2104800 -32.7211 219.969 54.746 94.3181 -35.9518 -54.1052 2.1271 87.0894 87.9812 PRESSAVG: 2104800 44.7086 44.6442 -36.1726 44.6441 -19.635 16.6119 -36.1726 16.6118 52.2003 GPRESSAVG: 2104800 44.8627 42.7623 -34.7412 44.0418 -21.2871 18.0606 -39.1915 15.9675 53.4859 TIMING: 2104800 CPU: 6639.57, 0.00314776/step Wall: 6639.57, 0.00314776/step, 2.5315 hours remaining, 240.472656 MB of memory in use. ENERGY: 2104800 4023.5807 20634.7585 14505.0443 246.0456 -203753.0189 2752.4368 0.0000 0.0000 51992.5872 -109598.5657 298.8021 -161591.1529 -109235.9309 299.4828 -22.8249 6.4361 761917.3642 25.7580 25.6872 PRESSURE: 2105000 173.169 148.048 -303.295 148.047 289.809 -32.0698 -303.295 -32.0696 -245.677 GPRESSURE: 2105000 198.247 143.809 -210.871 134.048 200.357 -31.2001 -173.678 -50.6335 -88.2489 PRESSAVG: 2105000 9.87953 38.0959 2.67979 38.0959 -15.9348 -12.4593 2.67975 -12.4593 -11.0391 GPRESSAVG: 2105000 10.8927 42.0589 3.41417 37.9609 -15.7345 -11.814 4.61406 -11.6523 -11.4754 TIMING: 2105000 CPU: 6640.2, 0.00315115/step Wall: 6640.2, 0.00315115/step, 2.53405 hours remaining, 240.472656 MB of memory in use. ENERGY: 2105000 3975.8807 20555.9474 14469.8031 267.0686 -203566.6195 2571.4843 0.0000 0.0000 52130.9711 -109595.4643 299.5974 -161726.4354 -109233.1448 299.1900 72.4340 103.4517 760773.5564 -5.6981 -5.4391 PRESSURE: 2105200 -305.77 44.951 156.537 44.9513 243.076 43.6271 156.537 43.627 169.948 GPRESSURE: 2105200 -109.613 -57.8467 267.313 1.41041 120.24 35.9026 116.015 51.6457 183.331 PRESSAVG: 2105200 -56.6727 14.5438 16.9453 14.5437 36.8368 12.3972 16.9453 12.3972 2.15161 GPRESSAVG: 2105200 -54.1846 13.1694 16.3279 13.9435 35.0937 12.7997 17.2343 11.7813 1.25593 TIMING: 2105200 CPU: 6640.83, 0.00315032/step Wall: 6640.83, 0.00315032/step, 2.53321 hours remaining, 240.472656 MB of memory in use. ENERGY: 2105200 3983.3278 20695.0019 14432.9127 246.6450 -203610.1063 2628.8383 0.0000 0.0000 52199.0012 -109424.3795 299.9884 -161623.3807 -109061.9849 299.2286 35.7514 64.6528 759980.5454 -5.8947 -5.9450 PRESSURE: 2105400 83.8447 36.4478 -120.186 36.447 178.787 -447.411 -120.186 -447.41 24.5668 GPRESSURE: 2105400 72.4319 57.1245 -229.147 -9.46666 239.268 -381.619 56.2024 -291.306 80.228 PRESSAVG: 2105400 31.7381 51.3547 17.7672 51.3548 -14.5896 -32.5304 17.7672 -32.5304 -16.3687 GPRESSAVG: 2105400 30.3918 51.7609 19.036 52.0933 -13.0727 -32.6366 14.1268 -33.7301 -16.2936 TIMING: 2105400 CPU: 6641.47, 0.00318137/step Wall: 6641.47, 0.00318137/step, 2.558 hours remaining, 240.472656 MB of memory in use. ENERGY: 2105400 3968.7065 20741.5908 14495.0927 231.5664 -203686.6205 2809.5739 0.0000 0.0000 52180.3073 -109259.7828 299.8809 -161440.0901 -108908.8356 299.4775 95.7329 130.6427 760421.2545 0.2599 0.3418 PRESSURE: 2105600 211.522 -161.627 122.315 -161.627 0.15304 191.661 122.315 191.662 -198.622 GPRESSURE: 2105600 185.323 -25.1898 210.902 -172.233 75.5193 155.688 90.2697 126.687 -150.379 PRESSAVG: 2105600 -6.01794 -3.22638 -37.0756 -3.22634 30.2419 -23.3756 -37.0756 -23.3756 13.294 GPRESSAVG: 2105600 -7.58789 -3.95781 -36.8572 -1.7123 31.2058 -23.7202 -36.7513 -20.8045 13.565 TIMING: 2105600 CPU: 6642.1, 0.0031763/step Wall: 6642.1, 0.0031763/step, 2.55374 hours remaining, 240.472656 MB of memory in use. ENERGY: 2105600 4002.3038 20610.8731 14507.2915 255.5992 -203388.9986 2625.6596 0.0000 0.0000 52301.8109 -109085.4605 300.5792 -161387.2715 -108717.0483 300.1020 4.3508 36.8209 761053.8994 12.5060 12.3943 PRESSURE: 2105800 -91.4898 -29.4843 -98.64 -29.4845 225.419 -201.814 -98.6394 -201.814 312.813 GPRESSURE: 2105800 -11.9618 -61.6121 -43.7809 -46.9139 138.883 -297.815 -2.85806 -110.2 389.751 PRESSAVG: 2105800 -28.2501 29.1684 -12.0733 29.1685 60.2867 -1.40388 -12.0732 -1.40383 -5.18604 GPRESSAVG: 2105800 -27.3512 30.4329 -14.697 27.9002 59.3295 -3.33213 -9.51879 -3.43239 -5.03272 TIMING: 2105800 CPU: 6642.74, 0.00317839/step Wall: 6642.74, 0.00317839/step, 2.55525 hours remaining, 240.472656 MB of memory in use. ENERGY: 2105800 3975.2824 20786.7910 14415.8872 240.7193 -203435.0349 2766.8573 0.0000 0.0000 52098.8915 -109150.6063 299.4130 -161249.4977 -108796.0554 300.1549 148.9143 172.2242 760346.2436 8.9502 8.9818 PRESSURE: 2106000 227.784 183.763 195.815 183.764 56.181 155.437 195.815 155.437 -86.1869 GPRESSURE: 2106000 242.258 117.59 175.196 197.435 104.428 137.788 99.9042 92.7556 -77.5565 PRESSAVG: 2106000 -22.3631 27.5058 46.422 27.5059 -7.68137 17.3936 46.422 17.3936 24.5718 GPRESSAVG: 2106000 -22.4498 26.9675 48.2269 28.8915 -6.19016 18.9348 43.8559 17.5894 23.3287 TIMING: 2106000 CPU: 6643.37, 0.00316883/step Wall: 6643.37, 0.00316883/step, 2.54739 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2106000 3968.9045 20563.3589 14546.2292 255.1735 -203677.4599 2743.1622 0.0000 0.0000 52360.9175 -109239.7141 300.9189 -161600.6315 -108869.0076 299.7442 65.9261 89.7098 760421.2529 -1.8242 -1.7704 PRESSURE: 2106200 -190.775 67.9745 -122.07 67.9733 -509.634 -113.991 -122.07 -113.991 -120.007 GPRESSURE: 2106200 -136.519 80.0486 -51.8758 76.1014 -486.198 -99.1137 -184.244 -17.6794 -95.7756 PRESSAVG: 2106200 27.3944 28.0121 60.1115 28.0121 14.4525 -50.9619 60.1115 -50.962 9.47289 GPRESSAVG: 2106200 27.0811 30.3635 58.505 25.015 14.2902 -50.6388 62.4238 -50.8075 9.47886 TIMING: 2106200 CPU: 6644, 0.00312857/step Wall: 6644, 0.00312857/step, 2.51485 hours remaining, 240.472656 MB of memory in use. ENERGY: 2106200 4003.5946 20593.1796 14474.5202 232.8111 -202988.8186 2165.8146 0.0000 0.0000 52205.6148 -109313.2836 300.0264 -161518.8984 -108949.9705 299.8917 -273.4719 -239.4978 762630.4827 17.1066 16.9501 PRESSURE: 2106400 -207.171 136.065 -106.593 136.065 158.716 182.162 -106.593 182.163 -76.5095 GPRESSURE: 2106400 -163.675 102.835 -25.7245 105.547 193.913 64.7081 15.4114 209.158 -64.208 PRESSAVG: 2106400 40.9317 5.20818 41.7355 5.20812 -35.0857 25.4359 41.7355 25.4359 -10.979 GPRESSAVG: 2106400 41.7566 2.57205 43.366 7.91355 -36.8693 23.3739 40.9009 27.4713 -10.6089 TIMING: 2106400 CPU: 6644.63, 0.0031395/step Wall: 6644.63, 0.0031395/step, 2.52346 hours remaining, 240.472656 MB of memory in use. ENERGY: 2106400 4024.1833 20617.2568 14391.9336 254.5798 -203475.9754 2657.8792 0.0000 0.0000 52140.9674 -109389.1754 299.6549 -161530.1428 -109031.4308 299.6531 -41.6548 -11.3235 759355.1422 -1.7110 -1.9072 PRESSURE: 2106600 342.369 -6.3358 -51.0317 -6.3369 76.8532 178.838 -51.031 178.838 -113.278 GPRESSURE: 2106600 376.29 -8.74192 -65.4741 42.3564 156.915 112.159 -119.06 138.28 -135.073 PRESSAVG: 2106600 31.2138 32.262 29.8428 32.262 14.0247 38.5488 29.8429 38.5488 -19.2755 GPRESSAVG: 2106600 31.2489 31.4755 29.138 32.811 14.1871 38.5212 30.3852 38.0557 -20.1678 TIMING: 2106600 CPU: 6645.26, 0.00316143/step Wall: 6645.26, 0.00316143/step, 2.54091 hours remaining, 240.472656 MB of memory in use. ENERGY: 2106600 3971.0647 20522.3661 14412.5328 243.7767 -203422.9147 2672.8112 0.0000 0.0000 52280.8372 -109319.5258 300.4587 -161600.3630 -108955.6655 299.7474 101.9815 132.7108 760334.4136 8.6544 8.4227 PRESSURE: 2106800 -80.5901 -101.04 -1.6242 -101.04 253.377 278.317 -1.62454 278.317 248.579 GPRESSURE: 2106800 53.2438 -116.29 -127.159 -33.5954 276.575 270.115 74.225 288.416 184.528 PRESSAVG: 2106800 -6.06671 30.3794 6.55573 30.3794 27.741 36.7407 6.55569 36.7407 37.312 GPRESSAVG: 2106800 -7.08606 31.1554 4.78547 27.4541 28.8668 37.3582 7.2934 35.704 37.2945 TIMING: 2106800 CPU: 6645.89, 0.00315676/step Wall: 6645.89, 0.00315676/step, 2.53698 hours remaining, 240.472656 MB of memory in use. ENERGY: 2106800 3991.4039 20577.2858 14399.6270 247.3869 -203345.8228 2656.0837 0.0000 0.0000 52250.7805 -109223.2549 300.2860 -161474.0354 -108868.4944 299.8371 140.4552 171.4489 760535.0201 19.6621 19.6918 PRESSURE: 2107000 32.3941 16.143 102.779 16.1433 139.834 25.8301 102.779 25.8306 -603.961 GPRESSURE: 2107000 62.068 157.315 159.502 22.6917 191.493 4.87269 104.282 42.8579 -602.877 PRESSAVG: 2107000 -35.1399 16.6376 -39.4502 16.6376 55.1536 46.0899 -39.4503 46.09 -23.8408 GPRESSAVG: 2107000 -34.9347 18.5033 -38.8723 16.5473 55.4428 47.0086 -39.2765 46.0189 -24.2241 TIMING: 2107000 CPU: 6646.52, 0.00315481/step Wall: 6646.52, 0.00315482/step, 2.53524 hours remaining, 240.472656 MB of memory in use. ENERGY: 2107000 4029.3769 20469.3780 14411.6258 251.3624 -203297.5781 2652.0889 0.0000 0.0000 52401.0366 -109082.7094 301.1495 -161483.7460 -108711.1472 299.8182 -143.9110 -116.4386 760636.9747 -1.2757 -1.2386 PRESSURE: 2107200 0.459568 39.5927 -98.5701 39.5917 -9.67941 -135.772 -98.5686 -135.772 -228.299 GPRESSURE: 2107200 100.161 37.2515 -71.72 -53.989 -75.2955 -115.928 -51.6897 -181.146 -169.734 PRESSAVG: 2107200 -15.2032 -11.4008 -20.1966 -11.4008 10.5146 13.6654 -20.1966 13.6654 -15.2429 GPRESSAVG: 2107200 -15.4763 -13.34 -19.9872 -9.98101 8.80471 14.5067 -20.0739 13.9223 -13.8139 TIMING: 2107200 CPU: 6647.16, 0.00317265/step Wall: 6647.16, 0.00317265/step, 2.5494 hours remaining, 240.472656 MB of memory in use. ENERGY: 2107200 4023.9847 20538.0378 14535.5288 248.3570 -203115.6239 2513.1253 0.0000 0.0000 52247.5072 -109009.0831 300.2671 -161256.5903 -108645.7191 300.0009 -79.1730 -48.2894 760684.5304 -6.6438 -6.8285 PRESSURE: 2107400 -94.4772 26.0516 228.893 26.0511 -2.20369 -11.8072 228.893 -11.8074 402.008 GPRESSURE: 2107400 -65.2819 55.4394 116.529 -37.241 77.9306 15.0627 256.267 -32.149 375.165 PRESSAVG: 2107400 -17.2732 -11.1973 34.1491 -11.1973 11.6978 34.4729 34.1491 34.4728 -6.8597 GPRESSAVG: 2107400 -18.4476 -10.2155 35.0955 -10.1753 13.1165 33.8718 33.8368 33.7125 -6.84533 TIMING: 2107400 CPU: 6647.79, 0.00316618/step Wall: 6647.79, 0.00316618/step, 2.54403 hours remaining, 240.472656 MB of memory in use. ENERGY: 2107400 3903.3565 20687.6721 14460.9505 278.2657 -202726.3099 2306.3579 0.0000 0.0000 52122.5527 -108967.1546 299.5490 -161089.7073 -108606.5080 300.7492 101.7756 129.2713 762548.6162 -4.1450 -4.0588 PRESSURE: 2107600 -70.2968 27.7857 -35.7513 27.7858 -390.898 165.978 -35.7505 165.978 37.9434 GPRESSURE: 2107600 -22.5668 -37.2169 -54.6214 -17.1049 -369.227 142.882 14.3592 175.841 51.6603 PRESSAVG: 2107600 -18.5381 12.4885 6.77663 12.4885 15.8479 31.8013 6.77668 31.8012 13.6196 GPRESSAVG: 2107600 -18.5471 13.1388 5.98114 11.6731 16.9343 32.5242 7.89901 33.2798 12.2128 TIMING: 2107600 CPU: 6648.42, 0.00315881/step Wall: 6648.42, 0.00315881/step, 2.53793 hours remaining, 240.472656 MB of memory in use. ENERGY: 2107600 3920.8321 20567.3692 14445.3264 254.7345 -203209.8648 2606.1176 0.0000 0.0000 52157.9606 -109257.5244 299.7525 -161415.4850 -108898.3830 299.7594 -141.0836 -113.3779 761845.6686 3.6431 3.5333 PRESSURE: 2107800 -170.219 -61.7903 -260.247 -61.7898 3.49812 -134.072 -260.247 -134.073 -379.623 GPRESSURE: 2107800 -114.118 60.556 -272.038 -3.3998 4.05735 -94.4191 -258.878 -162.952 -367.999 PRESSAVG: 2107800 -7.78307 42.3238 -25.6968 42.3238 42.4349 61.9568 -25.6969 61.9568 38.0494 GPRESSAVG: 2107800 -7.85864 42.7173 -25.1128 42.1665 41.7092 61.5769 -28.5201 59.4637 38.7436 TIMING: 2107800 CPU: 6649.06, 0.00317634/step Wall: 6649.06, 0.00317634/step, 2.55184 hours remaining, 240.472656 MB of memory in use. ENERGY: 2107800 3933.7393 20604.3572 14490.8243 262.8924 -203038.5404 2389.5642 0.0000 0.0000 52034.1063 -109323.0566 299.0407 -161357.1629 -108950.7817 300.0195 -182.1144 -159.3535 761578.2929 24.2337 24.1981 PRESSURE: 2108000 -229.472 -59.881 -21.6124 -59.8808 -192.069 82.5487 -21.6118 82.5481 -309.848 GPRESSURE: 2108000 -151.364 -62.8444 24.6556 -149.471 -198.087 92.2498 9.47932 102.082 -284.938 PRESSAVG: 2108000 -43.6129 29.0831 -60.8774 29.0831 69.861 -5.196 -60.8774 -5.19607 -17.2985 GPRESSAVG: 2108000 -43.6621 24.9824 -61.4405 30.6942 70.8702 -5.04474 -57.445 -5.80312 -17.918 TIMING: 2108000 CPU: 6649.69, 0.00315269/step Wall: 6649.69, 0.00315269/step, 2.53266 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2108000 3953.7363 20519.4438 14452.8123 226.2371 -203399.3219 2668.0639 0.0000 0.0000 51962.4265 -109616.6020 298.6288 -161579.0285 -109261.9959 299.0386 -243.7964 -211.4634 763087.4930 2.9832 3.0967 PRESSURE: 2108200 -58.7256 -38.0318 -242.08 -38.0319 129.026 162.457 -242.079 162.457 50.8006 GPRESSURE: 2108200 38.4707 -133.464 -146.489 -24.1017 161.887 91.3183 -137.537 153.666 21.3408 PRESSAVG: 2108200 -27.0587 38.0393 -74.5908 38.0392 19.6631 13.7541 -74.5908 13.7541 -0.0169719 GPRESSAVG: 2108200 -26.0441 40.7798 -75.3641 36.2588 18.4166 12.8208 -75.409 15.9159 1.20311 TIMING: 2108200 CPU: 6650.32, 0.00316416/step Wall: 6650.32, 0.00316416/step, 2.5417 hours remaining, 240.472656 MB of memory in use. ENERGY: 2108200 4021.3619 20453.9044 14410.3444 238.4314 -203648.6111 2814.0767 0.0000 0.0000 52000.3980 -109710.0943 298.8470 -161710.4923 -109351.7912 299.2923 40.3670 73.8994 760537.2345 -2.4708 -2.1415 LDB: ============= START OF LOAD BALANCING ============== 6662.72 LDB: ============== END OF LOAD BALANCING =============== 6662.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6662.72 LDB: ============= START OF LOAD BALANCING ============== 6663.04 LDB: Largest compute 7025 load 0.034941 is 17.8% of average load 0.195920 LDB: Average compute 0.004412 is 2.3% of average load 0.195920 LDB: TIME 6663.05 LOAD: AVG 0.19592 MAX 0.215823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.641 MB LDB: TIME 6663.05 LOAD: AVG 0.19592 MAX 0.215823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.711 MB LDB: TIME 6663.05 LOAD: AVG 0.19592 MAX 0.215823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.711 MB LDB: ============== END OF LOAD BALANCING =============== 6663.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6663.05 PRESSURE: 2108400 241.335 -192.152 23.6945 -192.152 352.093 -241.031 23.6943 -241.032 -119.381 GPRESSURE: 2108400 338.856 -167.056 25.7796 -155.549 309.275 -171.545 108.519 -272.362 -101.523 PRESSAVG: 2108400 -67.183 43.3402 -11.0748 43.3401 65.3868 45.0638 -11.0748 45.0637 21.8935 GPRESSAVG: 2108400 -65.6407 41.8701 -10.7561 45.9905 64.0601 45.3316 -12.5275 45.1413 21.5378 TIMING: 2108400 CPU: 6650.97, 0.00324641/step Wall: 6650.97, 0.00324641/step, 2.60759 hours remaining, 237.839844 MB of memory in use. ENERGY: 2108400 3949.4238 20601.2175 14490.4184 230.8684 -203995.6981 2973.6472 0.0000 0.0000 51955.6865 -109794.4364 298.5900 -161750.1229 -109435.6580 298.9920 158.0157 182.2027 761366.6437 6.6991 6.6524 PRESSURE: 2108600 177.607 -20.1106 -7.09194 -20.1112 173.803 255.026 -7.09163 255.026 105.888 GPRESSURE: 2108600 224.083 -23.6686 26.7854 31.2973 181.06 244.199 -149.334 244.438 106.558 PRESSAVG: 2108600 -96.011 46.8018 -18.1043 46.8019 87.7357 39.6527 -18.1042 39.6527 -44.3701 GPRESSAVG: 2108600 -96.0025 47.3969 -16.8002 46.7547 88.1281 40.985 -19.0714 38.3147 -45.4083 TIMING: 2108600 CPU: 6651.6, 0.00315477/step Wall: 6651.6, 0.00315476/step, 2.5338 hours remaining, 237.839844 MB of memory in use. ENERGY: 2108600 4064.5568 20559.9318 14522.4014 245.5305 -204057.8101 2912.1633 0.0000 0.0000 51881.8665 -109871.3598 298.1658 -161753.2263 -109503.4090 298.4800 152.4326 170.5671 760312.8732 -17.5485 -17.7609 PRESSURE: 2108800 223.269 83.7907 48.4514 83.7909 -169.914 31.7965 48.4523 31.7958 178.794 GPRESSURE: 2108800 204.696 96.8458 37.4038 23.2366 -103.92 140.734 26.9091 14.9615 214.765 PRESSAVG: 2108800 5.62843 -7.79246 59.1744 -7.79246 43.5527 48.1658 59.1744 48.1659 29.4735 GPRESSAVG: 2108800 5.32859 -7.73083 58.337 -9.57223 43.479 48.007 59.0333 49.3833 29.8826 TIMING: 2108800 CPU: 6652.23, 0.00314118/step Wall: 6652.23, 0.00314118/step, 2.52272 hours remaining, 237.839844 MB of memory in use. ENERGY: 2108800 4005.6366 20471.1890 14525.2068 257.3467 -204011.7360 2751.7867 0.0000 0.0000 52144.4157 -109856.1544 299.6747 -162000.5702 -109497.1871 298.9166 77.3829 105.1802 760711.6094 26.2182 26.2301 PRESSURE: 2109000 -200.85 -57.9521 120.963 -57.9521 145.285 173.539 120.963 173.54 347.458 GPRESSURE: 2109000 -120.845 -63.3524 202.497 -87.3158 164.444 124.708 -2.15556 109.374 331.615 PRESSAVG: 2109000 -43.8222 -24.4623 -51.0401 -24.4623 31.1161 19.7087 -51.0401 19.7087 -8.08138 GPRESSAVG: 2109000 -44.0428 -24.0771 -51.3452 -25.2977 32.2105 17.2762 -51.7199 20.2533 -8.84794 TIMING: 2109000 CPU: 6652.86, 0.00316811/step Wall: 6652.86, 0.00316811/step, 2.54417 hours remaining, 237.839844 MB of memory in use. ENERGY: 2109000 3981.3442 20439.5012 14501.4859 243.2373 -203662.4311 2638.7103 0.0000 0.0000 52105.8172 -109752.3350 299.4528 -161858.1522 -109384.8691 299.0383 97.2977 125.0712 761417.5453 -6.9292 -6.8934 PRESSURE: 2109200 -327.952 92.9065 -46.8857 92.9072 -178.644 -11.897 -46.8855 -11.8978 -96.6879 GPRESSURE: 2109200 -260.482 150.265 -1.41324 -37.1451 -128.106 -2.51032 -43.8975 -51.9998 -118.475 PRESSAVG: 2109200 -40.9447 34.6733 -6.8106 34.6734 57.2672 -43.848 -6.81056 -43.848 -15.7025 GPRESSAVG: 2109200 -40.7837 34.9643 -6.96143 33.8575 57.2165 -43.5214 -3.56755 -45.5155 -15.3276 TIMING: 2109200 CPU: 6653.5, 0.00316786/step Wall: 6653.5, 0.00316786/step, 2.54379 hours remaining, 237.839844 MB of memory in use. ENERGY: 2109200 3901.8820 20377.5538 14530.5232 260.7086 -203218.0553 2332.9538 0.0000 0.0000 51918.7669 -109895.6672 298.3779 -161814.4340 -109525.7166 299.0713 -201.0947 -169.0211 763103.5851 0.2067 0.3684 PRESSURE: 2109400 -2.05166 64.2404 118.44 64.2412 145.079 -7.22209 118.441 -7.2229 225.538 GPRESSURE: 2109400 47.4652 91.616 73.8922 -49.9299 149.006 -132.262 147.05 -28.7496 238.65 PRESSAVG: 2109400 -53.6168 28.2566 27.2685 28.2566 49.7148 -8.81046 27.2685 -8.81028 5.20668 GPRESSAVG: 2109400 -53.3784 27.8836 29.6067 30.0566 49.2903 -8.64296 22.4751 -7.6699 5.18804 TIMING: 2109400 CPU: 6654.12, 0.00314352/step Wall: 6654.12, 0.00314353/step, 2.52408 hours remaining, 237.839844 MB of memory in use. ENERGY: 2109400 3957.9479 20395.8068 14441.3609 250.1724 -204027.5110 3056.1140 0.0000 0.0000 52024.7676 -109901.3413 298.9871 -161926.1089 -109539.1902 298.0268 122.8550 145.0404 761221.9784 0.4349 0.3667 PRESSURE: 2109600 -20.216 15.008 31.2349 15.0078 436.216 -51.2962 31.2344 -51.2974 125.442 GPRESSURE: 2109600 99.6894 -43.6457 39.3349 31.4655 326.593 -32.202 -58.1944 -15.6241 192.375 PRESSAVG: 2109600 -25.5056 25.6839 22.5042 25.684 22.3872 2.15864 22.5042 2.15866 3.78904 GPRESSAVG: 2109600 -25.222 24.6539 19.7282 24.8197 21.5004 3.7381 26.1767 1.57478 3.97765 TIMING: 2109600 CPU: 6654.76, 0.0031523/step Wall: 6654.76, 0.0031523/step, 2.53095 hours remaining, 237.839844 MB of memory in use. ENERGY: 2109600 3987.2948 20473.6046 14434.0980 248.8061 -204126.5192 3030.0675 0.0000 0.0000 52065.6842 -109886.9641 299.2222 -161952.6483 -109521.9448 298.3213 180.4806 206.2192 760021.4189 0.2235 0.0854 PRESSURE: 2109800 -64.0126 -20.4152 -2.18485 -20.4156 -49.8859 -107.236 -2.18419 -107.235 -272.896 GPRESSURE: 2109800 -24.4284 -0.349946 -68.1481 22.3172 -19.314 -90.4491 -45.0615 -41.4457 -295.237 PRESSAVG: 2109800 -9.22323 -13.4059 50.78 -13.4059 59.1305 13.9523 50.78 13.9523 -10.5199 GPRESSAVG: 2109800 -9.98743 -11.1669 50.504 -12.3106 58.5974 12.706 49.8662 13.9351 -9.94828 TIMING: 2109800 CPU: 6655.39, 0.0031549/step Wall: 6655.39, 0.0031549/step, 2.53286 hours remaining, 237.839844 MB of memory in use. ENERGY: 2109800 4064.2790 20773.6033 14435.4264 254.3695 -204066.6105 2812.1044 0.0000 0.0000 51950.0337 -109776.7943 298.5576 -161726.8279 -109407.8006 299.2545 -128.9314 -112.9932 759256.3309 13.1291 12.8872 PRESSURE: 2110000 -122.738 108.209 -193.695 108.209 8.19606 154.134 -193.694 154.134 157.997 GPRESSURE: 2110000 -29.5275 -120.425 -149.138 240.114 -0.744268 187.259 -60.293 153.607 152.479 PRESSAVG: 2110000 32.0752 57.1872 -12.7925 57.1873 -29.8912 27.6478 -12.7924 27.6478 -17.6722 GPRESSAVG: 2110000 33.5564 56.1539 -10.1739 57.2888 -30.2726 28.7638 -13.0824 27.0301 -18.4785 TIMING: 2110000 CPU: 6656.02, 0.00315226/step Wall: 6656.02, 0.00315226/step, 2.53057 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2110000 3914.5757 20524.7670 14440.5348 249.6374 -203824.0997 2790.6792 0.0000 0.0000 52266.1734 -109637.7320 300.3744 -161903.9055 -109266.9637 298.8470 14.4849 40.7358 761478.9862 -5.1627 -5.0649 PRESSURE: 2110200 328.802 -31.1524 185.339 -31.1525 -49.5886 78.9872 185.339 78.9868 30.1523 GPRESSURE: 2110200 406.926 62.2771 152.571 -83.705 -8.89033 76.9136 -13.0343 65.837 -2.11278 PRESSAVG: 2110200 33.5675 -25.6323 -15.3534 -25.6322 -11.9084 24.4009 -15.3534 24.4009 -2.60359 GPRESSAVG: 2110200 32.7426 -25.6081 -17.3222 -26.3438 -10.3615 23.6035 -14.4537 24.9258 -3.24596 TIMING: 2110200 CPU: 6656.65, 0.00315303/step Wall: 6656.65, 0.00315303/step, 2.531 hours remaining, 237.839844 MB of memory in use. ENERGY: 2110200 3972.5363 20450.0305 14453.3413 235.7208 -204022.8948 2988.9721 0.0000 0.0000 52459.7227 -109462.5711 301.4867 -161922.2938 -109085.1945 299.8049 103.1218 131.9743 760072.6617 6.3518 6.3784 PRESSURE: 2110400 39.0296 269.837 -133.827 269.836 -284.619 30.4973 -133.828 30.4978 82.0995 GPRESSURE: 2110400 21.621 235.189 -172.922 90.8224 -197.204 129.1 -112.148 48.4915 99.5942 PRESSAVG: 2110400 26.3237 10.844 10.989 10.8439 -31.929 -27.7094 10.9889 -27.7094 -0.431303 GPRESSAVG: 2110400 26.1838 11.1996 10.4509 9.94641 -32.2646 -26.0439 11.447 -29.7304 0.565505 TIMING: 2110400 CPU: 6657.27, 0.00313115/step Wall: 6657.27, 0.00313115/step, 2.51327 hours remaining, 237.839844 MB of memory in use. ENERGY: 2110400 3975.9930 20671.3267 14442.0813 231.8772 -203615.1244 2634.3102 0.0000 0.0000 52183.1581 -109476.3779 299.8973 -161659.5360 -109112.8102 299.2378 -54.4967 -25.3295 760629.6294 -2.0122 -1.8384 PRESSURE: 2110600 93.3196 199.332 63.3111 199.331 -111.354 0.38063 63.312 0.37924 -90.3521 GPRESSURE: 2110600 74.8703 116.598 -65.1005 109.439 -116.341 31.3289 50.7451 89.6304 6.13613 PRESSAVG: 2110600 -18.956 20.9204 27.4138 20.9204 -14.9653 -4.50672 27.4138 -4.50669 -22.6235 GPRESSAVG: 2110600 -18.5545 20.2292 26.4009 23.8483 -14.8831 -5.21433 26.0737 -3.57694 -23.1284 TIMING: 2110600 CPU: 6657.9, 0.003137/step Wall: 6657.9, 0.003137/step, 2.51779 hours remaining, 237.839844 MB of memory in use. ENERGY: 2110600 4108.8747 20576.8520 14469.6497 246.6583 -203481.7691 2546.1278 0.0000 0.0000 52004.9241 -109528.6824 298.8730 -161533.6065 -109170.8354 299.1341 -36.1289 -11.7781 760839.0509 -18.8483 -18.8553 PRESSURE: 2110800 200.881 -33.1062 -9.93875 -33.1064 -169.312 272.343 -9.9387 272.343 -406.3 GPRESSURE: 2110800 187.464 -26.1972 -13.4421 -0.418552 -120.452 284.438 -16.4993 92.362 -356.962 PRESSAVG: 2110800 -6.96874 -29.5088 0.659564 -29.5088 2.93176 -3.31246 0.659569 -3.31235 -28.4733 GPRESSAVG: 2110800 -6.96863 -28.3354 2.03101 -30.5438 2.82322 -4.67477 0.466109 -3.50885 -28.8329 TIMING: 2110800 CPU: 6658.53, 0.00315789/step Wall: 6658.53, 0.00315788/step, 2.53438 hours remaining, 237.839844 MB of memory in use. ENERGY: 2110800 3999.5197 20839.3380 14550.2474 240.2228 -203393.2468 2560.7387 0.0000 0.0000 52036.6834 -109166.4968 299.0555 -161203.1802 -108819.6547 299.4860 -124.9104 -96.6499 761209.9327 -10.8368 -10.9928 PRESSURE: 2111000 -80.2257 147.586 201.617 147.586 153.95 127.929 201.618 127.929 -80.5165 GPRESSURE: 2111000 -68.8059 134.664 123.326 64.0787 240.232 131.433 297.453 131.019 -89.9185 PRESSAVG: 2111000 -17.1159 10.958 -7.43154 10.958 64.1105 2.38444 -7.43157 2.3845 -1.27664 GPRESSAVG: 2111000 -18.1283 11.2037 -9.10637 11.7136 64.2979 5.75364 -5.55443 1.78975 -0.0512165 TIMING: 2111000 CPU: 6659.17, 0.00316727/step Wall: 6659.17, 0.00316727/step, 2.54173 hours remaining, 237.839844 MB of memory in use. ENERGY: 2111000 3965.9064 20386.9938 14495.9249 246.9149 -202997.1926 2427.3763 0.0000 0.0000 52267.4631 -109206.6132 300.3818 -161474.0763 -108836.5198 299.7088 -2.2639 27.1692 761756.4620 15.2393 15.3728 PRESSURE: 2111200 -297.738 14.226 196.9 14.2262 -5.92104 135.169 196.9 135.169 125.798 GPRESSURE: 2111200 -182.147 -121.753 208.965 -64.3864 -98.9787 32.2361 73.8283 50.9839 182.728 PRESSAVG: 2111200 -34.02 5.76362 -29.0954 5.76362 7.35433 -16.2426 -29.0954 -16.2426 18.072 GPRESSAVG: 2111200 -33.399 4.96371 -28.2338 4.7606 6.34761 -17.7491 -30.0144 -15.5915 17.9625 TIMING: 2111200 CPU: 6659.79, 0.00314215/step Wall: 6659.79, 0.00314215/step, 2.5214 hours remaining, 237.839844 MB of memory in use. ENERGY: 2111200 3986.7690 20757.0016 14440.9284 241.8829 -203559.7218 2861.3157 0.0000 0.0000 52255.7815 -109016.0427 300.3147 -161271.8242 -108660.7221 300.1678 -59.2871 -32.7993 762623.8452 -2.8645 -3.0296 PRESSURE: 2111400 208.273 189.868 -118.031 189.868 -418.348 86.7821 -118.03 86.7824 -89.9644 GPRESSURE: 2111400 201.673 165.013 -113.174 195.986 -400.439 60.9409 -139.436 19.5746 -28.7371 PRESSAVG: 2111400 57.2915 30.0271 -5.50585 30.027 -49.373 -44.6159 -5.50584 -44.6159 7.31276 GPRESSAVG: 2111400 56.726 30.4881 -4.46706 29.4658 -49.2068 -45.5477 -6.99964 -42.7122 7.2755 TIMING: 2111400 CPU: 6660.42, 0.0031399/step Wall: 6660.42, 0.0031399/step, 2.51942 hours remaining, 237.839844 MB of memory in use. ENERGY: 2111400 4012.8710 20682.4135 14534.1123 223.6964 -203246.2330 2565.5223 0.0000 0.0000 52219.2383 -109008.3791 300.1047 -161227.6175 -108645.9241 300.2342 -100.0132 -75.8341 763252.9992 5.0771 4.9316 PRESSURE: 2111600 -234.905 -272.361 -106.019 -272.361 344.768 45.904 -106.019 45.9046 25.4214 GPRESSURE: 2111600 -63.2193 -146.123 -91.5941 -154.803 219.829 35.3283 -48.8962 171.769 60.0778 PRESSAVG: 2111600 21.2356 11.0729 -30.2115 11.0729 -32.746 42.3402 -30.2114 42.3401 22.9027 GPRESSAVG: 2111600 21.1367 10.9543 -29.6691 12.132 -32.1645 41.3754 -28.499 42.7062 21.9777 TIMING: 2111600 CPU: 6661.05, 0.00314563/step Wall: 6661.05, 0.00314563/step, 2.52384 hours remaining, 237.839844 MB of memory in use. ENERGY: 2111600 3947.1558 20523.3815 14502.2222 221.3279 -203157.2262 2579.6829 0.0000 0.0000 52169.5373 -109213.9185 299.8190 -161383.4558 -108840.3220 300.1922 45.0950 72.2292 763470.7372 3.7974 3.6500 PRESSURE: 2111800 -110.41 209.71 24.4555 209.71 7.1316 -35.1733 24.456 -35.1726 139.794 GPRESSURE: 2111800 -39.826 176.167 -25.1712 147.357 -35.637 30.3244 -143.208 4.0276 176.206 PRESSAVG: 2111800 -2.78396 13.6268 18.8891 13.6269 -10.3654 -17.8517 18.8891 -17.8516 3.82637 GPRESSAVG: 2111800 -2.41568 14.3315 17.8991 14.3795 -11.135 -17.359 18.8106 -18.4914 4.51686 TIMING: 2111800 CPU: 6661.68, 0.00314157/step Wall: 6661.68, 0.00314157/step, 2.52041 hours remaining, 237.839844 MB of memory in use. ENERGY: 2111800 3919.7299 20480.1439 14487.8080 230.9043 -203184.8755 2693.4232 0.0000 0.0000 52328.9883 -109043.8779 300.7354 -161372.8662 -108688.5790 299.7383 12.1720 33.5810 763867.8140 -3.1077 -3.0113 PRESSURE: 2112000 -153.976 69.182 -35.4609 69.1811 167.246 35.2731 -35.4611 35.2733 184.192 GPRESSURE: 2112000 -207.434 10.5872 -100.35 -35.2568 289.259 -65.4965 38.884 110.007 181.745 PRESSAVG: 2112000 -1.7496 4.97897 5.6596 4.97896 36.7942 -33.9802 5.65966 -33.9802 4.07938 GPRESSAVG: 2112000 -1.99135 5.46249 5.17073 4.35384 36.8237 -33.2954 4.26784 -34.9713 4.23437 TIMING: 2112000 CPU: 6662.31, 0.00313666/step Wall: 6662.31, 0.00313666/step, 2.5163 hours remaining, 237.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2112000 3964.7384 20632.4896 14517.0405 245.3676 -203443.6309 2842.3281 0.0000 0.0000 52313.7169 -108927.9499 300.6476 -161241.6667 -108564.7976 300.2916 65.8204 87.8567 765069.9229 13.0413 13.0222 PRESSURE: 2112200 1.46521 -292.559 -12.514 -292.56 -648.782 -190.015 -12.5139 -190.015 156.075 GPRESSURE: 2112200 -1.48744 -255.502 -25.3586 -199.048 -502.619 -60.3234 -27.0568 -189.174 106.554 PRESSAVG: 2112200 -4.675 -31.9867 -10.7979 -31.9868 -48.125 -46.9121 -10.7979 -46.912 -26.4911 GPRESSAVG: 2112200 -4.64473 -31.5593 -10.8151 -33.0378 -46.3941 -47.4082 -8.95346 -45.9561 -27.4746 TIMING: 2112200 CPU: 6662.94, 0.00315006/step Wall: 6662.94, 0.00315006/step, 2.52688 hours remaining, 237.839844 MB of memory in use. ENERGY: 2112200 4013.3383 20539.8398 14515.1814 238.8467 -203046.1379 2530.8592 0.0000 0.0000 52174.6505 -109033.4219 299.8484 -161208.0724 -108668.9594 300.2157 -163.7472 -132.5176 763644.6734 -26.4304 -26.1711 LDB: ============= START OF LOAD BALANCING ============== 6675.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6675.34 LDB: =============== DONE WITH MIGRATION ================ 6675.34 LDB: ============= START OF LOAD BALANCING ============== 6675.65 LDB: Largest compute 7044 load 0.033986 is 17.3% of average load 0.195935 LDB: Average compute 0.004399 is 2.2% of average load 0.195935 LDB: TIME 6675.65 LOAD: AVG 0.195935 MAX 0.215904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 6675.66 LOAD: AVG 0.195935 MAX 0.215904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.555 MB LDB: TIME 6675.66 LOAD: AVG 0.195935 MAX 0.215904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.555 MB LDB: ============== END OF LOAD BALANCING =============== 6675.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6675.66 PRESSURE: 2112400 50.7348 6.03711 -47.5536 6.03693 -12.4667 -70.6364 -47.5541 -70.6356 381.558 GPRESSURE: 2112400 63.0921 67.4708 -16.9128 41.6374 26.7188 -159.663 -217.033 -176.913 427.508 PRESSAVG: 2112400 -33.2165 -10.0134 1.71275 -10.0134 -16.3619 -8.71881 1.71271 -8.71883 15.0412 GPRESSAVG: 2112400 -33.2886 -8.9321 1.06235 -8.60326 -16.687 -7.69486 0.831507 -9.80529 15.6573 TIMING: 2112400 CPU: 6663.58, 0.00321156/step Wall: 6663.58, 0.00321156/step, 2.57603 hours remaining, 240.410156 MB of memory in use. ENERGY: 2112400 3923.0663 20570.4780 14483.5967 226.3667 -203389.9722 2723.6246 0.0000 0.0000 52237.1905 -109225.6492 300.2079 -161462.8398 -108868.5072 299.7896 139.9420 172.4396 762025.3138 -11.5124 -11.4394 PRESSURE: 2112600 -19.0537 -105.403 109.346 -105.403 -28.437 107.501 109.346 107.501 -292.01 GPRESSURE: 2112600 -22.2179 -171.888 114.503 -87.5311 44.0697 164.36 116.435 60.1684 -269.885 PRESSAVG: 2112600 -5.78945 -51.0008 -54.9695 -51.0008 -34.4653 -22.1413 -54.9696 -22.1413 25.8226 GPRESSAVG: 2112600 -4.87772 -51.8784 -54.9144 -51.6399 -34.3779 -21.5895 -55.3368 -21.2756 24.4712 TIMING: 2112600 CPU: 6664.22, 0.00319038/step Wall: 6664.22, 0.00319038/step, 2.55886 hours remaining, 240.476562 MB of memory in use. ENERGY: 2112600 4054.6798 20642.8185 14491.7548 254.8892 -203551.1979 2725.1349 0.0000 0.0000 52087.3759 -109294.5448 299.3469 -161381.9207 -108926.9077 299.8146 -113.1668 -82.6779 761657.5654 -4.8107 -4.9281 PRESSURE: 2112800 415.821 -253.618 -100.247 -253.618 238.53 83.2983 -100.247 83.2994 340.227 GPRESSURE: 2112800 423.927 -240.237 -170.17 -196.248 265.781 73.8775 -75.4242 32.1853 385.751 PRESSAVG: 2112800 -17.8859 -51.7569 -77.7294 -51.7569 -52.0091 0.350692 -77.7294 0.350725 17.9112 GPRESSAVG: 2112800 -19.1708 -52.1716 -77.4326 -50.9128 -51.5238 -0.0653141 -75.0748 -0.973771 18.5418 TIMING: 2112800 CPU: 6664.85, 0.00315566/step Wall: 6664.85, 0.00315566/step, 2.53084 hours remaining, 240.476562 MB of memory in use. ENERGY: 2112800 3955.5496 20349.7645 14521.1922 247.7689 -203405.3666 2858.0468 0.0000 0.0000 52213.2731 -109259.7715 300.0704 -161473.0446 -108886.9979 299.6807 331.5259 358.4864 761847.8178 -17.3279 -17.3843 PRESSURE: 2113000 -146.04 -141.993 117.694 -141.993 89.6776 -73.5213 117.694 -73.5211 362.994 GPRESSURE: 2113000 -21.5008 -179.957 105.996 -225.507 36.821 -95.9859 32.1873 -147.142 380.666 PRESSAVG: 2113000 31.5635 -34.3736 -64.8723 -34.3735 11.2867 30.4461 -64.8722 30.4461 -1.73376 GPRESSAVG: 2113000 31.7546 -31.9115 -64.5473 -36.3483 10.3908 29.9154 -69.8684 32.0333 -1.21839 TIMING: 2113000 CPU: 6665.49, 0.00318227/step Wall: 6665.49, 0.00318227/step, 2.55201 hours remaining, 240.476562 MB of memory in use. ENERGY: 2113000 3824.4351 20503.9210 14549.5945 247.7487 -203174.3024 2709.6923 0.0000 0.0000 52089.3332 -109249.5776 299.3581 -161338.9108 -108879.7280 299.5464 102.2106 131.9953 762255.6063 13.7055 13.6423 PRESSURE: 2113200 104.955 -31.3925 -3.88715 -31.392 -221.449 -168.699 -3.88683 -168.7 -86.051 GPRESSURE: 2113200 92.2408 70.2095 -39.2505 49.0574 -156.037 -113.579 10.1667 -69.0038 -63.4176 PRESSAVG: 2113200 -12.4225 -57.0945 -4.25181 -57.0944 32.3629 -29.0319 -4.25182 -29.0319 5.37613 GPRESSAVG: 2113200 -12.0928 -60.1158 -4.11844 -56.4421 31.861 -29.4111 -3.39516 -29.3711 5.68124 TIMING: 2113200 CPU: 6666.12, 0.00316881/step Wall: 6666.12, 0.00316881/step, 2.54103 hours remaining, 240.476562 MB of memory in use. ENERGY: 2113200 3915.0295 20462.4853 14572.3096 232.6659 -203202.5193 2513.9568 0.0000 0.0000 52284.9614 -109221.1109 300.4824 -161506.0723 -108859.4593 299.5373 -67.5151 -42.4046 762813.9573 8.4389 8.4831 PRESSURE: 2113400 420.275 -62.0039 -1.75048 -62.0039 321.725 -56.7951 -1.74997 -56.7946 22.8737 GPRESSURE: 2113400 354.559 -38.4498 -32.1614 12.0858 386.53 -14.2908 10.2092 -67.1519 113.76 PRESSAVG: 2113400 25.9368 -25.4777 -35.4381 -25.4778 -85.376 76.0557 -35.4381 76.0557 1.37764 GPRESSAVG: 2113400 25.6448 -22.8027 -35.1477 -27.3193 -84.7816 77.7496 -33.566 76.9458 1.71756 TIMING: 2113400 CPU: 6666.75, 0.00315003/step Wall: 6666.75, 0.00315003/step, 2.5258 hours remaining, 240.476562 MB of memory in use. ENERGY: 2113400 3954.4207 20627.2869 14518.7628 237.2812 -203039.7308 2423.0317 0.0000 0.0000 52194.8218 -109084.1258 299.9644 -161278.9476 -108719.2601 300.0602 254.9578 284.9500 761866.8238 -19.3538 -19.1398 PRESSURE: 2113600 -132.669 120.194 -204.832 120.194 -335.478 -148.996 -204.833 -148.995 -1.03774 GPRESSURE: 2113600 -14.1786 76.0305 -102.37 -40.6722 -318.898 -161.154 -230.162 -82.0302 -40.1011 PRESSAVG: 2113600 0.454903 8.63779 34.304 8.63775 -5.37473 -3.58718 34.304 -3.58716 8.80062 GPRESSAVG: 2113600 0.95291 6.80504 34.625 10.6169 -5.68044 -4.12815 33.7345 -4.95422 8.21309 TIMING: 2113600 CPU: 6667.38, 0.00315589/step Wall: 6667.38, 0.00315589/step, 2.53032 hours remaining, 240.476562 MB of memory in use. ENERGY: 2113600 4058.9497 20504.8603 14487.5439 238.8393 -203445.2902 2603.1959 0.0000 0.0000 52279.1714 -109272.7297 300.4491 -161551.9012 -108914.9110 300.0816 -156.3948 -124.3925 761162.8622 1.2936 1.1619 PRESSURE: 2113800 227.096 -315.972 15.0388 -315.972 -114.551 -118.05 15.0389 -118.05 239.198 GPRESSURE: 2113800 215.249 -241.249 -16.8831 -217.56 34.0239 -68.4368 -144.37 -54.1245 205.221 PRESSAVG: 2113800 3.56949 -73.9482 -49.2712 -73.9483 -45.6729 -15.0007 -49.2712 -15.0008 11.8355 GPRESSAVG: 2113800 3.29379 -73.5197 -49.0446 -74.2113 -44.924 -13.4752 -48.3126 -14.4997 11.0151 TIMING: 2113800 CPU: 6668.01, 0.00315064/step Wall: 6668.01, 0.00315064/step, 2.52594 hours remaining, 240.476562 MB of memory in use. ENERGY: 2113800 4051.5768 20373.6245 14481.3266 253.1833 -203327.6967 2571.9204 0.0000 0.0000 52052.8148 -109543.2502 299.1482 -161596.0650 -109189.2064 298.9611 117.2475 151.4979 760729.4474 -10.0893 -10.2050 PRESSURE: 2114000 -143.716 -46.8841 -243.336 -46.8848 125.169 63.2943 -243.336 63.2936 -261.147 GPRESSURE: 2114000 -49.0976 -104.99 -185.893 -48.077 103.451 138.532 -275.349 7.03137 -234.593 PRESSAVG: 2114000 15.539 -68.2969 -16.0305 -68.2969 -12.792 25.5125 -16.0305 25.5126 -7.38997 GPRESSAVG: 2114000 15.8092 -68.919 -17.6102 -67.7674 -13.0624 24.9277 -14.853 24.9343 -7.76913 TIMING: 2114000 CPU: 6668.64, 0.00315424/step Wall: 6668.64, 0.00315424/step, 2.52865 hours remaining, 240.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2114000 3998.5957 20353.5565 14480.5348 255.2046 -202877.0684 2360.4637 0.0000 0.0000 52022.0583 -109406.6548 298.9715 -161428.7131 -109045.3670 299.3615 -93.2312 -60.0801 761517.0699 -1.5477 -1.6741 PRESSURE: 2114200 -268.146 -38.2961 29.2478 -38.2962 -55.8529 -86.9744 29.2471 -86.9735 200.644 GPRESSURE: 2114200 -296.64 -83.707 86.3237 -12.2432 14.5809 -109.037 -35.9197 -21.1216 240.984 PRESSAVG: 2114200 -51.6748 0.423854 -42.2072 0.423915 1.65609 -11.131 -42.2071 -11.131 -0.828684 GPRESSAVG: 2114200 -51.9039 -1.34529 -41.1447 1.38124 1.65656 -12.0645 -44.4634 -10.7114 -0.178533 TIMING: 2114200 CPU: 6669.27, 0.00316032/step Wall: 6669.27, 0.00316032/step, 2.53335 hours remaining, 240.476562 MB of memory in use. ENERGY: 2114200 3962.6484 20572.0215 14515.1883 247.8949 -203213.7619 2596.0881 0.0000 0.0000 52100.0892 -109219.8316 299.4199 -161319.9208 -108860.3630 299.5345 -41.1185 -13.6916 760904.3434 -16.9491 -16.8086 PRESSURE: 2114400 31.5276 -134.116 -169.391 -134.116 -135.967 88.0174 -169.393 88.0184 -401.206 GPRESSURE: 2114400 7.44371 -97.305 -221.998 -142.876 -101.832 39.2037 -65.1051 13.5277 -340.728 PRESSAVG: 2114400 -0.391505 13.5589 -26.5126 13.5588 22.564 13.7931 -26.5126 13.7932 -14.1924 GPRESSAVG: 2114400 -1.8541 17.2268 -26.7324 12.4247 22.7571 13.5642 -25.9033 13.4433 -13.5008 TIMING: 2114400 CPU: 6669.9, 0.00315025/step Wall: 6669.9, 0.00315026/step, 2.5251 hours remaining, 240.476562 MB of memory in use. ENERGY: 2114400 3918.5272 20540.0376 14535.8394 234.9106 -203217.4663 2519.1803 0.0000 0.0000 52062.3502 -109406.6209 299.2030 -161468.9710 -109046.3938 299.4501 -168.5486 -145.0390 762217.2688 2.6600 2.4674 PRESSURE: 2114600 141.124 -33.6193 -9.07507 -33.6189 -299.215 16.1003 -9.07506 16.1004 -176.018 GPRESSURE: 2114600 190.435 9.85601 -133.053 -33.4051 -201.389 -19.3035 -30.1998 24.5838 -215.175 PRESSAVG: 2114600 15.0027 -7.98172 -36.7653 -7.98176 4.12555 14.7126 -36.7654 14.7126 -12.7911 GPRESSAVG: 2114600 15.7064 -10.6172 -38.1679 -6.40257 4.3498 15.1743 -35.3673 14.5093 -13.5895 TIMING: 2114600 CPU: 6670.53, 0.00315459/step Wall: 6670.53, 0.00315459/step, 2.5284 hours remaining, 240.476562 MB of memory in use. ENERGY: 2114600 4074.3939 20371.6688 14448.2899 257.5350 -202746.9422 2318.4040 0.0000 0.0000 52037.5911 -109239.0594 299.0608 -161276.6505 -108879.9550 299.4485 -111.3695 -75.3761 762011.8874 2.1124 2.1556 PRESSURE: 2114800 -299.018 -254.31 113.915 -254.31 -191.963 45.3874 113.915 45.3865 93.4229 GPRESSURE: 2114800 -313.833 -108.252 174.899 -152.696 -146.911 119.737 -2.07274 33.5613 127.221 PRESSAVG: 2114800 16.4613 -14.7277 -40.1298 -14.7278 19.9587 2.0083 -40.1298 2.00828 22.0878 GPRESSAVG: 2114800 16.7782 -14.8626 -37.0024 -14.5059 19.9391 -0.754208 -43.6626 2.9854 21.3815 TIMING: 2114800 CPU: 6671.16, 0.00313199/step Wall: 6671.16, 0.00313199/step, 2.51012 hours remaining, 240.476562 MB of memory in use. ENERGY: 2114800 4034.2379 20431.3366 14515.7438 262.7365 -203161.1044 2629.4925 0.0000 0.0000 52172.2720 -109115.2850 299.8348 -161287.5570 -108747.8007 299.8408 -132.5196 -111.1741 761148.1447 19.5026 19.3663 PRESSURE: 2115000 256.446 -38.5268 87.4202 -38.5271 -33.1254 -0.450943 87.4203 -0.451544 361.786 GPRESSURE: 2115000 320.055 -142.293 133.001 -156.76 -20.6646 -58.3559 77.3475 68.2252 342.138 PRESSAVG: 2115000 -14.4523 -13.8114 -42.3346 -13.8114 3.10615 7.73178 -42.3346 7.7318 -10.5847 GPRESSAVG: 2115000 -14.7333 -14.6346 -42.5232 -13.8269 3.08842 11.0446 -40.6651 6.10849 -10.7673 TIMING: 2115000 CPU: 6671.79, 0.00314548/step Wall: 6671.79, 0.00314547/step, 2.52075 hours remaining, 240.476562 MB of memory in use. ENERGY: 2115000 3873.8018 20419.8664 14506.4511 251.9879 -203009.6201 2497.6464 0.0000 0.0000 52157.2095 -109302.6570 299.7482 -161459.8664 -108940.3921 299.2368 195.0355 213.8428 762764.8440 -7.3103 -7.4707 PRESSURE: 2115200 -92.7245 -35.6663 131.743 -35.6671 -85.2492 182.602 131.743 182.603 -156.767 GPRESSURE: 2115200 -115.266 -101.408 142.418 47.7299 15.2648 139.729 127.025 202.672 -143.303 PRESSAVG: 2115200 33.3618 48.207 2.45889 48.2069 -45.2426 55.4353 2.45891 55.4353 -0.525999 GPRESSAVG: 2115200 33.7867 49.7518 1.22059 47.5904 -45.2634 53.556 5.13632 58.4834 -0.447865 TIMING: 2115200 CPU: 6672.42, 0.00313585/step Wall: 6672.42, 0.00313585/step, 2.51286 hours remaining, 240.476562 MB of memory in use. ENERGY: 2115200 4074.5271 20612.8777 14435.9028 262.5921 -203474.9707 2852.9905 0.0000 0.0000 52125.3066 -109110.7739 299.5649 -161236.0805 -108752.6150 299.6312 -111.5803 -81.1013 762828.8894 -4.1356 -3.9749 PRESSURE: 2115400 35.6779 161.726 -366.491 161.726 88.196 -42.7234 -366.491 -42.7248 -108.179 GPRESSURE: 2115400 47.2325 154.188 -311.257 111.825 99.2162 -31.1391 -343.639 72.2944 -45.9396 PRESSAVG: 2115400 -6.8876 6.31807 -54.1363 6.3181 59.1642 1.43904 -54.1363 1.43902 5.07888 GPRESSAVG: 2115400 -8.25452 5.04162 -53.4452 5.86288 59.6022 1.82855 -56.5593 1.15835 5.72644 TIMING: 2115400 CPU: 6673.04, 0.00313962/step Wall: 6673.04, 0.00313962/step, 2.51571 hours remaining, 240.476562 MB of memory in use. ENERGY: 2115400 4111.7663 20521.1601 14579.9450 257.8521 -203607.0677 2638.6406 0.0000 0.0000 52290.0234 -109207.6801 300.5115 -161497.7035 -108844.2960 300.2019 5.2318 33.5030 761123.2660 19.1185 19.0247 PRESSURE: 2115600 -106.848 38.1125 -75.7419 38.1115 -133.204 129.28 -75.7419 129.281 256.395 GPRESSURE: 2115600 -6.58403 57.0287 -124.242 6.53031 -102.922 220.835 -108.189 194.647 209.139 PRESSAVG: 2115600 -47.8956 -12.7887 -3.07503 -12.7887 13.1021 17.0039 -3.07501 17.0039 8.35155 GPRESSAVG: 2115600 -46.211 -12.7637 -3.29642 -14.2856 13.198 17.7204 -1.87136 16.8941 6.87127 TIMING: 2115600 CPU: 6673.67, 0.00312856/step Wall: 6673.67, 0.00312856/step, 2.50668 hours remaining, 240.476562 MB of memory in use. ENERGY: 2115600 3976.4376 20590.5259 14502.0257 229.9914 -203008.2827 2236.5934 0.0000 0.0000 52505.2513 -108967.4572 301.7484 -161472.7085 -108608.3705 299.9513 5.4473 33.2109 761463.9025 -8.8140 -8.7139 PRESSURE: 2115800 -181.05 63.6543 5.24326 63.6555 230.7 16.1536 5.24293 16.1536 185.386 GPRESSURE: 2115800 -107.4 9.49432 31.4409 -78.5927 194.458 103.352 -119.951 0.681426 226.597 PRESSAVG: 2115800 -31.7299 -2.57099 -27.933 -2.57103 43.01 41.7992 -27.933 41.7991 7.91153 GPRESSAVG: 2115800 -32.623 -1.58629 -27.3478 -2.08782 41.624 40.179 -29.8407 41.6637 10.3131 TIMING: 2115800 CPU: 6674.3, 0.00316225/step Wall: 6674.3, 0.00316225/step, 2.53349 hours remaining, 240.476562 MB of memory in use. ENERGY: 2115800 4033.4889 20482.3444 14534.1982 233.4044 -203009.1568 2478.4349 0.0000 0.0000 52406.0920 -108841.1939 301.1785 -161247.2859 -108476.2592 300.9090 78.3452 104.5516 760098.8973 6.3972 6.4380 PRESSURE: 2116000 -366.114 -114.022 278.434 -114.022 -110.989 95.2263 278.433 95.2256 -70.5662 GPRESSURE: 2116000 -256.146 -153.73 268.559 -11.4709 -194.83 81.5944 73.6057 182.914 -31.1754 PRESSAVG: 2116000 44.8266 -50.8981 -20.5667 -50.898 -58.4222 10.038 -20.5668 10.0379 -0.982815 GPRESSAVG: 2116000 45.398 -51.0485 -20.5297 -49.072 -58.7138 10.4364 -19.3239 9.21122 -1.609 TIMING: 2116000 CPU: 6674.93, 0.0031479/step Wall: 6674.93, 0.0031479/step, 2.52182 hours remaining, 240.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2116000 4062.0919 20545.6889 14506.5532 235.1065 -202544.6677 2047.0459 0.0000 0.0000 52001.8880 -109146.2933 298.8556 -161148.1813 -108791.3600 300.2911 -182.5563 -160.7171 759885.5056 -4.8595 -4.9749 PRESSURE: 2116200 -84.6314 287.349 -157.675 287.348 8.11825 105.473 -157.675 105.474 550.96 GPRESSURE: 2116200 -10.242 253.372 -199.9 239.778 30.6869 42.4661 -115.83 -78.4608 531.768 PRESSAVG: 2116200 1.49837 -5.81396 -8.49173 -5.81397 12.7635 33.6078 -8.4918 33.6078 20.6126 GPRESSAVG: 2116200 2.38326 -6.65171 -9.6695 -6.6469 13.3193 34.6832 -7.99721 31.8104 19.8955 TIMING: 2116200 CPU: 6675.56, 0.00315045/step Wall: 6675.56, 0.00315045/step, 2.52369 hours remaining, 240.476562 MB of memory in use. ENERGY: 2116200 3986.7594 20510.5045 14530.4492 256.6731 -203025.9578 2583.1068 0.0000 0.0000 52165.4734 -108992.9912 299.7957 -161158.4647 -108628.6806 300.1906 158.1489 184.0709 761225.1134 11.6248 11.8660 LDB: ============= START OF LOAD BALANCING ============== 6687.96 LDB: ============== END OF LOAD BALANCING =============== 6687.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6687.96 LDB: ============= START OF LOAD BALANCING ============== 6688.28 LDB: Largest compute 7034 load 0.034102 is 17.4% of average load 0.195976 LDB: Average compute 0.004395 is 2.2% of average load 0.195976 LDB: TIME 6688.28 LOAD: AVG 0.195976 MAX 0.21753 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 6688.28 LOAD: AVG 0.195976 MAX 0.21753 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 6688.28 LOAD: AVG 0.195976 MAX 0.21753 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 6688.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6688.29 PRESSURE: 2116400 -154.427 -259.861 -161.594 -259.86 32.1794 188.674 -161.594 188.673 -246.344 GPRESSURE: 2116400 -219.909 -82.8323 -192.13 -221.076 76.5797 185.56 -177.837 158.805 -161.566 PRESSAVG: 2116400 -28.7984 -17.6962 -28.4466 -17.6962 11.7141 -9.02718 -28.4465 -9.02717 25.9282 GPRESSAVG: 2116400 -29.9526 -13.6033 -28.1834 -17.1594 12.3704 -9.29998 -30.4103 -8.75573 27.079 TIMING: 2116400 CPU: 6676.21, 0.00322505/step Wall: 6676.21, 0.00322505/step, 2.58327 hours remaining, 238.609375 MB of memory in use. ENERGY: 2116400 4026.3369 20602.9655 14450.3604 253.6878 -203180.6440 2552.0405 0.0000 0.0000 52214.9450 -109080.3080 300.0800 -161295.2530 -108718.7366 299.9804 -122.8638 -101.6317 760457.8628 2.9480 3.1656 PRESSURE: 2116600 -55.6382 165.948 -141.63 165.947 269.439 -85.0981 -141.629 -85.0978 285.791 GPRESSURE: 2116600 47.8543 2.86912 -103.885 112.151 208.137 24.8512 -205.342 -49.0194 313.263 PRESSAVG: 2116600 21.2745 39.2227 -12.0733 39.2227 21.7941 59.1638 -12.0733 59.1638 21.4424 GPRESSAVG: 2116600 21.5167 36.124 -12.9315 38.6171 22.1872 58.4659 -11.3802 61.6617 20.8146 TIMING: 2116600 CPU: 6676.84, 0.00316405/step Wall: 6676.84, 0.00316405/step, 2.53423 hours remaining, 238.609375 MB of memory in use. ENERGY: 2116600 4058.5918 20472.2655 14561.9192 243.3369 -203445.2027 2784.9484 0.0000 0.0000 52238.0684 -109086.0726 300.2129 -161324.1410 -108727.3750 299.8682 166.5308 189.7513 759967.6191 21.5037 21.5062 PRESSURE: 2116800 -34.8868 78.3326 120.629 78.3323 124.044 -212.935 120.628 -212.935 -68.425 GPRESSURE: 2116800 -83.7553 123.093 106.643 74.6593 221.862 -215.038 144.387 -201.123 -27.8967 PRESSAVG: 2116800 -53.4355 11.9536 21.0486 11.9536 26.4522 25.3968 21.0486 25.3967 3.86816 GPRESSAVG: 2116800 -54.4697 12.9146 22.448 12.0942 27.7092 26.4976 19.7778 23.7221 3.42124 TIMING: 2116800 CPU: 6677.47, 0.00315324/step Wall: 6677.47, 0.00315324/step, 2.5254 hours remaining, 238.609375 MB of memory in use. ENERGY: 2116800 3980.2581 20585.5847 14437.2762 237.5589 -203028.3895 2508.8411 0.0000 0.0000 52203.8915 -109074.9790 300.0165 -161278.8704 -108706.5391 300.2503 6.9108 36.7368 761404.6777 -7.7050 -7.7798 PRESSURE: 2117000 -25.5278 124.255 -59.2792 124.254 -177.762 -193.93 -59.2794 -193.93 -202.136 GPRESSURE: 2117000 -3.60258 146.466 -55.7225 200.827 -167.253 -225.627 -1.9671 -64.1654 -149.115 PRESSAVG: 2117000 7.66185 51.5771 -39.3482 51.5771 22.2832 -5.74069 -39.3483 -5.74071 -29.3717 GPRESSAVG: 2117000 9.39765 50.6357 -40.7634 50.5993 18.996 -7.01953 -37.9577 -4.52177 -28.4063 TIMING: 2117000 CPU: 6678.1, 0.00315605/step Wall: 6678.1, 0.00315605/step, 2.52747 hours remaining, 238.609375 MB of memory in use. ENERGY: 2117000 4048.1804 20494.6668 14493.1240 243.2526 -203134.6576 2452.1809 0.0000 0.0000 52080.7692 -109322.4837 299.3089 -161403.2529 -108960.0320 299.6759 -135.1419 -106.6567 762279.5324 0.1911 -0.0042 PRESSURE: 2117200 579.536 77.2503 121.795 77.2505 125.346 37.8113 121.794 37.8113 841.245 GPRESSURE: 2117200 560.394 129.305 100.539 146.616 277.884 98.265 25.1025 67.946 792.436 PRESSAVG: 2117200 -26.2173 34.4849 -67.1426 34.4849 65.439 -2.5737 -67.1426 -2.57366 17.9171 GPRESSAVG: 2117200 -26.3966 35.6821 -66.185 35.3567 67.5183 -0.480299 -67.6804 -4.19544 15.7186 TIMING: 2117200 CPU: 6678.73, 0.00315638/step Wall: 6678.73, 0.00315638/step, 2.52756 hours remaining, 238.609375 MB of memory in use. ENERGY: 2117200 3934.6292 20413.6062 14562.9568 274.4739 -203519.7193 2676.7247 0.0000 0.0000 52168.5623 -109488.7662 299.8134 -161657.3285 -109122.0230 299.4006 515.3760 543.5711 759577.3273 19.0463 18.9468 PRESSURE: 2117400 -368.934 108.344 257.712 108.343 272.932 5.56368 257.711 5.56345 5.4864 GPRESSURE: 2117400 -333.036 64.866 165.473 136.27 299.305 40.0816 125.122 71.5709 24.159 PRESSAVG: 2117400 -3.65568 60.1148 -37.7124 60.1148 19.0484 -5.84039 -37.7124 -5.84038 6.43095 GPRESSAVG: 2117400 -3.96722 59.2465 -37.5352 61.6596 18.3962 -6.22958 -39.3654 -3.94793 7.44892 TIMING: 2117400 CPU: 6679.37, 0.00316869/step Wall: 6679.37, 0.00316869/step, 2.53724 hours remaining, 238.609375 MB of memory in use. ENERGY: 2117400 4027.2404 20432.6954 14500.7982 254.7875 -203100.3322 2398.4548 0.0000 0.0000 52180.5591 -109305.7969 299.8824 -161486.3560 -108946.0942 299.2244 -30.1717 -3.1908 760203.1201 7.2746 7.2926 PRESSURE: 2117600 -13.7622 43.9678 71.497 43.9675 282.485 143.405 71.4975 143.406 23.4112 GPRESSURE: 2117600 101.767 44.6527 99.7733 48.3896 227.625 113.964 156.128 93.2655 44.9088 PRESSAVG: 2117600 39.065 35.9224 -38.4333 35.9224 -40.5587 61.5057 -38.4334 61.5057 7.29643 GPRESSAVG: 2117600 38.4115 35.4496 -38.3654 34.6571 -39.748 60.8764 -38.3738 60.1829 7.16577 TIMING: 2117600 CPU: 6680, 0.00315607/step Wall: 6680, 0.00315607/step, 2.52696 hours remaining, 238.609375 MB of memory in use. ENERGY: 2117600 3954.4494 20440.3979 14495.5854 250.8282 -203243.2971 2666.6614 0.0000 0.0000 52256.5503 -109178.8246 300.3191 -161435.3749 -108820.8891 299.5803 97.3779 124.7671 760258.6853 1.9343 1.9431 PRESSURE: 2117800 141.955 108.493 -82.0421 108.492 -107.027 43.3669 -82.0429 43.3672 145.258 GPRESSURE: 2117800 198.395 -61.9448 -78.5431 139.646 -17.5632 0.236604 -7.81214 94.2196 80.336 PRESSAVG: 2117800 -4.35847 42.6281 -53.5589 42.628 41.9939 -47.2317 -53.559 -47.2317 4.48196 GPRESSAVG: 2117800 -4.89958 42.5544 -54.4161 43.8964 42.4028 -47.3586 -50.5963 -44.8494 4.90458 TIMING: 2117800 CPU: 6680.63, 0.00314446/step Wall: 6680.63, 0.00314446/step, 2.51749 hours remaining, 238.609375 MB of memory in use. ENERGY: 2117800 4056.0788 20533.5264 14509.0956 236.4542 -203142.6388 2606.6495 0.0000 0.0000 52253.5393 -108947.2949 300.3018 -161200.8342 -108597.3813 299.9267 60.0620 87.0558 760723.3734 14.0391 14.1359 PRESSURE: 2118000 -225.811 17.7267 227.822 17.7271 -73.1758 86.4627 227.822 86.4621 123.765 GPRESSURE: 2118000 -166.654 -29.7201 98.3182 -69.0023 -44.7239 21.9755 175.341 88.1024 105.549 PRESSAVG: 2118000 -12.1412 53.6709 4.02441 53.6709 -6.99907 -21.4294 4.0244 -21.4294 1.99166 GPRESSAVG: 2118000 -10.6955 54.2122 3.51816 54.0165 -8.39815 -21.27 3.20496 -22.8226 2.06744 TIMING: 2118000 CPU: 6681.26, 0.00316162/step Wall: 6681.26, 0.00316162/step, 2.53105 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2118000 3945.0838 20608.9125 14453.1255 229.7190 -203162.4256 2584.8381 0.0000 0.0000 52380.8109 -108959.9358 301.0332 -161340.7467 -108596.6565 300.1449 -58.4070 -35.2764 762658.5915 -5.7162 -5.6754 PRESSURE: 2118200 -124.824 189.462 247.171 189.462 -63.4615 -38.5843 247.17 -38.5831 -173.447 GPRESSURE: 2118200 -109.576 204.774 214.546 150.1 45.043 -48.3816 257.665 133.822 -217.369 PRESSAVG: 2118200 -57.066 73.9062 8.22979 73.9063 16.0943 -10.7377 8.22978 -10.7377 14.9228 GPRESSAVG: 2118200 -57.876 75.0223 7.88794 72.057 16.4755 -10.6918 6.9264 -11.4694 15.3164 TIMING: 2118200 CPU: 6681.89, 0.00315501/step Wall: 6681.89, 0.003155/step, 2.52558 hours remaining, 238.609375 MB of memory in use. ENERGY: 2118200 4014.1146 20573.6545 14528.1002 250.8320 -203200.4677 2547.8479 0.0000 0.0000 52280.8146 -109005.1038 300.4586 -161285.9184 -108641.7745 300.2774 -120.5777 -93.9675 760340.9816 -8.6830 -8.6947 PRESSURE: 2118400 -113.577 -54.6983 -40.8524 -54.698 172.749 98.6772 -40.852 98.677 -547.42 GPRESSURE: 2118400 -30.363 -41.1176 -74.8028 -108.414 126.196 75.3853 11.9016 176.326 -487.259 PRESSAVG: 2118400 -55.4757 9.95523 -62.8497 9.95521 75.7765 56.5999 -62.8497 56.5999 -13.4722 GPRESSAVG: 2118400 -55.764 9.24715 -60.8231 10.4731 76.3661 53.8807 -62.6777 56.8824 -13.6082 TIMING: 2118400 CPU: 6682.52, 0.00317049/step Wall: 6682.52, 0.00317049/step, 2.5378 hours remaining, 238.609375 MB of memory in use. ENERGY: 2118400 3964.0073 20741.9460 14481.9103 245.3411 -202956.7693 2216.9716 0.0000 0.0000 52216.4299 -109090.1631 300.0885 -161306.5930 -108728.6657 300.3980 -162.7492 -130.4753 760557.2772 2.2762 2.3313 PRESSURE: 2118600 -484.005 182.955 25.5834 182.956 293.128 -157.898 25.5832 -157.898 -19.1245 GPRESSURE: 2118600 -417.512 100.691 110.384 120.761 231.086 -211.881 -41.4781 -71.6491 41.8078 PRESSAVG: 2118600 -70.6481 -22.6467 -42.2105 -22.6467 80.4733 36.9911 -42.2105 36.991 0.743709 GPRESSAVG: 2118600 -69.3098 -23.0977 -43.0929 -22.6122 79.4999 39.31 -43.1018 36.9331 -0.510278 TIMING: 2118600 CPU: 6683.16, 0.00315798/step Wall: 6683.16, 0.00315798/step, 2.52761 hours remaining, 238.609375 MB of memory in use. ENERGY: 2118600 3974.6323 20475.4163 14489.7299 241.6854 -203135.6722 2469.9854 0.0000 0.0000 52436.8177 -109047.4053 301.3551 -161484.2230 -108674.7909 300.2448 -70.0003 -48.2060 761980.1766 3.5230 3.2266 PRESSURE: 2118800 -206.809 -69.1341 -54.2358 -69.133 -54.0337 17.2317 -54.2359 17.2317 -58.8312 GPRESSURE: 2118800 -146.454 -26.0206 -85.7989 -87.3768 -66.0835 77.1795 -75.5545 -6.79423 -32.2807 PRESSAVG: 2118800 -21.2016 16.5546 -43.8197 16.5546 41.4633 13.7851 -43.8197 13.7851 -14.5228 GPRESSAVG: 2118800 -22.1618 17.3518 -44.7306 14.034 41.3441 15.1018 -40.8821 13.536 -13.3259 TIMING: 2118800 CPU: 6683.79, 0.00318284/step Wall: 6683.79, 0.00318284/step, 2.54733 hours remaining, 238.609375 MB of memory in use. ENERGY: 2118800 4027.6907 20613.2956 14497.9256 264.0463 -203183.5540 2400.9167 0.0000 0.0000 52265.4536 -109114.2256 300.3703 -161379.6792 -108745.5817 300.2191 -106.5580 -81.6062 762004.9521 1.9130 1.9521 PRESSURE: 2119000 -184.168 114.484 -73.6089 114.484 105.81 -66.5004 -73.6096 -66.4996 0.0894648 GPRESSURE: 2119000 -130.541 197.212 23.8685 -36.8776 128.456 -89.8443 -32.4192 -130.507 7.02723 PRESSAVG: 2119000 -25.5416 14.9996 -19.6035 14.9996 8.90672 3.02264 -19.6035 3.02269 -8.149 GPRESSAVG: 2119000 -25.8952 15.2772 -18.7497 17.1597 10.7262 2.15981 -20.8284 4.89024 -9.52648 TIMING: 2119000 CPU: 6684.43, 0.00317536/step Wall: 6684.43, 0.00317536/step, 2.54117 hours remaining, 238.609375 MB of memory in use. ENERGY: 2119000 3980.6552 20714.3907 14515.7625 246.6876 -203476.9800 2677.3486 0.0000 0.0000 52377.5895 -108964.5459 301.0147 -161342.1354 -108598.2171 300.4591 -26.0895 1.6473 762223.2489 -8.2613 -8.2318 PRESSURE: 2119200 57.4928 61.4543 -128.98 61.4549 -20.3759 34.5474 -128.979 34.5465 -593.958 GPRESSURE: 2119200 25.5771 -2.80099 -121.471 2.84567 -42.1679 36.0562 -169.285 115.231 -456.463 PRESSAVG: 2119200 -25.8991 -20.0951 -35.7568 -20.0951 -3.9061 11.385 -35.7569 11.385 -4.45691 GPRESSAVG: 2119200 -25.7839 -20.7746 -36.1909 -20.8936 -4.42363 8.72142 -34.7426 11.1987 -3.66024 TIMING: 2119200 CPU: 6685.06, 0.00313779/step Wall: 6685.06, 0.00313779/step, 2.51093 hours remaining, 238.609375 MB of memory in use. ENERGY: 2119200 3989.5805 20621.7984 14432.2685 241.5568 -203138.6227 2356.5466 0.0000 0.0000 52406.5781 -109090.2938 301.1813 -161496.8719 -108726.4872 300.3177 -185.6138 -157.6847 762412.4991 -11.4207 -11.2893 PRESSURE: 2119400 337.091 -125.232 -103.441 -125.232 -260.787 66.3588 -103.441 66.3585 5.38729 GPRESSURE: 2119400 376.787 -15.8527 -37.5558 -107.443 -246.471 67.7128 -258.47 99.4156 37.1348 PRESSAVG: 2119400 24.7129 49.3727 -24.659 49.3727 -23.7775 62.7487 -24.659 62.7488 18.3057 GPRESSAVG: 2119400 26.9182 49.8484 -24.2103 50.5079 -24.5933 64.6209 -24.3093 63.0884 17.6949 TIMING: 2119400 CPU: 6685.69, 0.00315514/step Wall: 6685.69, 0.00315514/step, 2.52464 hours remaining, 238.609375 MB of memory in use. ENERGY: 2119400 3969.7772 20625.4715 14471.8039 248.6083 -203551.5795 2859.0152 0.0000 0.0000 52178.7620 -109198.1414 299.8721 -161376.9034 -108838.7671 300.1000 27.2302 55.8169 763383.7553 6.4137 6.6733 PRESSURE: 2119600 433.772 -71.096 -114.028 -71.0952 -321.887 115.147 -114.028 115.146 94.9535 GPRESSURE: 2119600 405.376 19.4695 -223.609 -55.1123 -307.984 110.401 -182.74 76.5705 175.738 PRESSAVG: 2119600 -3.65716 -37.5584 -46.9843 -37.5584 -18.8041 31.4944 -46.9843 31.4943 3.3711 GPRESSAVG: 2119600 -4.58963 -38.4407 -47.7783 -37.6493 -17.4766 31.8356 -48.0918 28.8897 3.30909 TIMING: 2119600 CPU: 6686.32, 0.00316211/step Wall: 6686.32, 0.00316211/step, 2.53004 hours remaining, 238.609375 MB of memory in use. ENERGY: 2119600 4000.8065 20689.2535 14472.6988 254.7825 -203376.7844 2608.6025 0.0000 0.0000 52027.7790 -109322.8617 299.0044 -161350.6407 -108957.4675 299.9317 68.9463 91.0432 762349.9873 -6.3634 -6.2524 PRESSURE: 2119800 204.315 75.6356 43.7257 75.636 106.38 154.434 43.725 154.435 -31.1127 GPRESSURE: 2119800 108.834 53.0076 56.912 44.7415 219.581 229.561 2.57782 177.405 19.4589 PRESSAVG: 2119800 -7.05668 -5.0754 8.79196 -5.07545 -0.801938 -5.95097 8.79194 -5.95107 -2.16435 GPRESSAVG: 2119800 -7.36799 -3.30707 8.8434 -3.42593 -1.20424 -5.87161 10.1598 -5.9997 -1.54944 TIMING: 2119800 CPU: 6686.95, 0.00315766/step Wall: 6686.95, 0.00315766/step, 2.52631 hours remaining, 238.609375 MB of memory in use. ENERGY: 2119800 4002.7385 20609.7052 14497.6353 244.4300 -203251.4114 2624.4973 0.0000 0.0000 51838.5374 -109433.8677 297.9168 -161272.4050 -109075.6010 299.1901 93.1941 115.9578 763166.5133 -3.3410 -3.3739 PRESSURE: 2120000 -286.849 -108.996 -55.6322 -108.996 -262.252 32.3248 -55.6327 32.3237 -28.141 GPRESSURE: 2120000 -236.635 -217.784 -14.8976 72.9685 -233.195 -18.8143 -100.883 183.098 -32.5694 PRESSAVG: 2120000 -35.3666 1.71875 -46.3435 1.71877 52.5105 75.4341 -46.3434 75.4341 -1.11048 GPRESSAVG: 2120000 -34.6167 -0.139664 -47.1182 0.484485 51.0485 74.9644 -46.9837 77.1973 -0.896728 TIMING: 2120000 CPU: 6687.58, 0.00313889/step Wall: 6687.58, 0.00313889/step, 2.51111 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2120000 3867.9027 20448.0483 14399.9005 245.8322 -203153.8787 2445.2501 0.0000 0.0000 52303.3892 -109443.5556 300.5883 -161746.9448 -109071.1246 299.2187 -192.4140 -167.4664 763032.6271 5.3445 5.1784 PRESSURE: 2120200 -39.1921 -47.3414 -166.186 -47.3414 -85.2303 18.823 -166.186 18.8229 -163.425 GPRESSURE: 2120200 -11.992 -22.433 -182.983 -70.7811 -89.2565 -98.476 -100.705 18.6428 -107.315 PRESSAVG: 2120200 13.9558 6.8269 -74.206 6.82689 -15.1665 35.5588 -74.206 35.5587 -22.3316 GPRESSAVG: 2120200 13.6754 7.74117 -74.8875 6.62558 -15.8254 34.6319 -74.6944 35.5324 -21.5128 TIMING: 2120200 CPU: 6688.21, 0.00316997/step Wall: 6688.21, 0.00316997/step, 2.5358 hours remaining, 238.609375 MB of memory in use. ENERGY: 2120200 3923.9742 20509.0833 14488.9596 264.5568 -203297.9342 2675.9215 0.0000 0.0000 51889.7460 -109545.6928 298.2111 -161435.4388 -109192.6836 299.3986 -95.9493 -69.5212 761851.8398 -7.8474 -7.8876 LDB: ============= START OF LOAD BALANCING ============== 6700.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6700.61 LDB: =============== DONE WITH MIGRATION ================ 6700.61 LDB: ============= START OF LOAD BALANCING ============== 6700.93 LDB: Largest compute 7048 load 0.033950 is 17.3% of average load 0.195930 LDB: Average compute 0.004405 is 2.2% of average load 0.195930 LDB: TIME 6700.93 LOAD: AVG 0.19593 MAX 0.219672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.148 MB LDB: TIME 6700.93 LOAD: AVG 0.19593 MAX 0.219672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: TIME 6700.93 LOAD: AVG 0.19593 MAX 0.217496 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.352 MB LDB: ============== END OF LOAD BALANCING =============== 6700.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6700.94 PRESSURE: 2120400 14.5398 -45.9423 -172.736 -45.9429 -376.472 140.099 -172.737 140.098 -104.016 GPRESSURE: 2120400 7.70575 -99.6499 -197.192 -110.968 -175.448 158.832 -110.701 -49.6729 -210.853 PRESSAVG: 2120400 -8.67023 2.97093 -53.611 2.97088 26.4875 17.0934 -53.611 17.0934 -17.7803 GPRESSAVG: 2120400 -8.49064 1.70204 -53.6006 3.20981 28.3283 18.8626 -52.2289 14.0024 -19.9245 TIMING: 2120400 CPU: 6688.85, 0.00320798/step Wall: 6688.85, 0.00320798/step, 2.56603 hours remaining, 238.148438 MB of memory in use. ENERGY: 2120400 4066.5906 20464.3347 14412.9204 260.3522 -203251.2235 2548.7089 0.0000 0.0000 51751.7580 -109746.5586 297.4181 -161498.3166 -109385.3033 299.0892 -155.3159 -126.1986 762787.9628 0.0123 -0.0289 PRESSURE: 2120600 84.7673 41.0917 56.4719 41.0908 -248.689 227.395 56.4719 227.397 81.9763 GPRESSURE: 2120600 -12.2302 34.0965 109.412 27.6512 -88.0677 296.948 142.213 59.6095 102.931 PRESSAVG: 2120600 -10.0086 -61.9643 -73.4728 -61.9643 9.10714 -0.857775 -73.4728 -0.857732 0.475549 GPRESSAVG: 2120600 -10.8796 -61.3907 -73.5247 -61.7164 9.40909 -1.10475 -73.2046 -0.551213 1.48843 TIMING: 2120600 CPU: 6689.49, 0.00317045/step Wall: 6689.49, 0.00317045/step, 2.53583 hours remaining, 238.351562 MB of memory in use. ENERGY: 2120600 4050.8124 20525.0583 14464.2092 265.1533 -203495.3535 2600.4891 0.0000 0.0000 51846.5727 -109743.0586 297.9630 -161589.6313 -109386.1429 298.7645 -27.3151 0.8778 760759.7751 -0.1420 0.0060 PRESSURE: 2120800 -248.451 130.117 -69.8559 130.118 -367.473 -44.4815 -69.8558 -44.4819 -232.254 GPRESSURE: 2120800 -209.288 49.7264 -62.8445 76.2893 -421.894 -195.363 117.72 88.3027 -132.88 PRESSAVG: 2120800 -7.15536 21.9619 5.67882 21.9621 -5.52511 -2.40677 5.67885 -2.40682 -15.6624 GPRESSAVG: 2120800 -6.93664 23.0428 7.51636 21.6671 -5.72858 -3.35597 3.83997 0.483524 -15.993 TIMING: 2120800 CPU: 6690.12, 0.00316134/step Wall: 6690.12, 0.00316134/step, 2.52837 hours remaining, 238.351562 MB of memory in use. ENERGY: 2120800 3995.0582 20408.2209 14446.5448 247.1459 -203292.3462 2421.3884 0.0000 0.0000 51738.1340 -110035.8539 297.3398 -161773.9879 -109670.5548 298.2532 -282.7261 -254.6871 759894.2317 -9.4476 -9.5527 PRESSURE: 2121000 35.9489 134.913 39.3185 134.913 -26.5713 38.8745 39.3185 38.8735 8.73501 GPRESSURE: 2121000 87.6029 182.201 62.4299 238.171 3.75981 -9.14593 -201.57 105.962 26.595 PRESSAVG: 2121000 -22.3161 25.5259 -28.7906 25.5259 20.754 49.3067 -28.7906 49.3068 16.2158 GPRESSAVG: 2121000 -23.2542 24.2446 -30.3436 26.4227 21.3417 50.6134 -27.2738 50.0115 17.4563 TIMING: 2121000 CPU: 6690.76, 0.00318297/step Wall: 6690.76, 0.00318297/step, 2.54549 hours remaining, 238.351562 MB of memory in use. ENERGY: 2121000 4009.0375 20423.5007 14397.8258 263.3121 -203903.7739 2796.7671 0.0000 0.0000 51838.4330 -110174.8976 297.9162 -162013.3306 -109810.9910 297.4990 6.0375 39.3192 760560.4318 4.8846 5.1813 PRESSURE: 2121200 280.058 -219.36 91.624 -219.359 -101.907 78.2921 91.623 78.2919 427.584 GPRESSURE: 2121200 312.404 -127.267 119.561 -229.778 -71.9117 62.6326 190.135 -30.0998 420.084 PRESSAVG: 2121200 27.9836 -9.45988 51.2044 -9.4599 -21.8734 64.139 51.2044 64.139 2.7776 GPRESSAVG: 2121200 30.4915 -7.52598 51.4091 -8.42564 -23.8889 65.5523 48.8516 60.884 1.49129 TIMING: 2121200 CPU: 6691.39, 0.00315508/step Wall: 6691.39, 0.00315508/step, 2.52301 hours remaining, 238.351562 MB of memory in use. ENERGY: 2121200 3999.3053 20492.3260 14453.6035 234.7565 -204096.7717 2887.3598 0.0000 0.0000 52008.7162 -110020.7046 298.8948 -162029.4207 -109651.5329 297.9908 201.9113 220.1920 759140.8670 2.9626 2.6980 PRESSURE: 2121400 -72.5647 100.456 -95.6902 100.456 -538.373 -57.6184 -95.689 -57.6181 -349.5 GPRESSURE: 2121400 -136.692 62.0094 -133.924 96.4073 -420.961 -125.974 -61.9486 15.4288 -312.68 PRESSAVG: 2121400 33.5571 52.9632 -2.35884 52.9632 -3.4865 -5.73789 -2.35884 -5.73794 1.20875 GPRESSAVG: 2121400 31.2078 50.9022 -1.83407 51.8336 -2.38586 -8.82133 -1.75818 -3.60689 2.36694 TIMING: 2121400 CPU: 6692.02, 0.00315927/step Wall: 6692.02, 0.00315927/step, 2.52619 hours remaining, 238.351562 MB of memory in use. ENERGY: 2121400 3947.0845 20443.8766 14472.7877 228.1479 -203397.5281 2297.4499 0.0000 0.0000 51949.7449 -110058.4366 298.5559 -162008.1815 -109713.8002 298.4056 -320.1457 -290.1111 761676.8429 10.4265 10.3963 PRESSURE: 2121600 51.5406 216.543 -56.0433 216.543 -223.167 -7.41909 -56.0442 -7.41962 68.9793 GPRESSURE: 2121600 31.7568 110.189 -82.3259 257.327 -134.827 -55.065 86.5834 -75.0332 77.9621 PRESSAVG: 2121600 15.5548 6.54751 33.3917 6.54753 0.71226 8.30273 33.3917 8.3028 -15.1755 GPRESSAVG: 2121600 16.5982 8.58994 32.8563 7.27961 -0.363872 9.69997 35.7397 5.69882 -15.3759 TIMING: 2121600 CPU: 6692.65, 0.00316747/step Wall: 6692.65, 0.00316747/step, 2.53257 hours remaining, 238.351562 MB of memory in use. ENERGY: 2121600 3973.2537 20543.2055 14479.6564 253.6893 -203532.9299 2489.9744 0.0000 0.0000 51812.1001 -109981.0505 297.7649 -161793.1505 -109620.4375 298.3146 -34.2158 -8.3692 761314.4389 0.3639 0.2861 PRESSURE: 2121800 -154.504 151.153 139.633 151.153 95.4746 115.441 139.633 115.442 -38.4932 GPRESSURE: 2121800 -75.0926 192.418 101.979 75.0519 142.207 115.736 113.018 63.0076 -73.7816 PRESSAVG: 2121800 7.10474 17.353 30.1436 17.353 -2.11271 -41.5865 30.1436 -41.5865 -11.0364 GPRESSAVG: 2121800 8.71436 15.8928 29.4996 15.8864 -2.79038 -41.176 27.9694 -39.2976 -11.2923 TIMING: 2121800 CPU: 6693.29, 0.00316711/step Wall: 6693.29, 0.00316711/step, 2.53211 hours remaining, 238.351562 MB of memory in use. ENERGY: 2121800 3943.3252 20305.8861 14483.2750 220.7918 -203587.0882 2663.8927 0.0000 0.0000 51894.1273 -110075.7901 298.2363 -161969.9174 -109707.4539 297.6348 -32.5076 -2.2224 761511.2118 -2.0148 -1.7894 PRESSURE: 2122000 -278.627 22.3423 159.619 22.3429 -184.622 -11.1517 159.62 -11.1506 199.836 GPRESSURE: 2122000 -250.935 121.552 143.84 -19.363 -88.0415 -64.0528 121.059 52.784 144.41 PRESSAVG: 2122000 17.2841 10.7776 -6.24871 10.7775 -47.0711 8.05658 -6.24872 8.05661 1.83547 GPRESSAVG: 2122000 16.651 10.3822 -5.22807 9.82949 -45.8697 7.64346 -5.40965 8.94381 0.94478 TIMING: 2122000 CPU: 6693.92, 0.00315858/step Wall: 6693.92, 0.00315858/step, 2.52511 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2122000 3908.1303 20388.7754 14535.8885 244.5499 -203381.9263 2540.1881 0.0000 0.0000 51710.4378 -110053.9563 297.1806 -161764.3941 -109696.9803 297.1696 -87.8042 -64.8558 762627.7322 -9.3172 -9.4246 PRESSURE: 2122200 -273.128 -146.464 131.03 -146.463 261.893 -98.1403 131.03 -98.1413 176.098 GPRESSURE: 2122200 -159.896 -54.8671 109.604 -65.2777 256.018 -13.0604 106.056 -110.817 147.663 PRESSAVG: 2122200 57.5007 12.8082 -4.50685 12.8082 -9.41719 42.9448 -4.5069 42.9449 2.97609 GPRESSAVG: 2122200 54.7789 14.6057 -3.13138 13.8481 -8.63956 42.203 -5.62583 41.1653 4.9045 TIMING: 2122200 CPU: 6694.55, 0.00315508/step Wall: 6694.55, 0.00315508/step, 2.52213 hours remaining, 238.351562 MB of memory in use. ENERGY: 2122200 3937.3458 20449.2700 14514.4328 242.5294 -204012.6332 2943.1137 0.0000 0.0000 51964.7705 -109961.1711 298.6423 -161925.9415 -109603.1901 297.8242 54.9545 81.2616 761986.3281 17.0199 17.0146 PRESSURE: 2122400 175.227 180.215 -273.32 180.214 -128.497 -265.111 -273.32 -265.111 63.9436 GPRESSURE: 2122400 246.33 38.6948 -177.107 109.029 -145.124 -248.223 -203.353 -224.478 83.121 PRESSAVG: 2122400 39.0961 67.2099 -68.4665 67.2099 -2.40642 0.78231 -68.4665 0.782367 -7.06012 GPRESSAVG: 2122400 40.0706 64.8718 -70.7468 68.479 -2.55427 1.77454 -65.4768 5.07239 -8.28063 TIMING: 2122400 CPU: 6695.19, 0.00318059/step Wall: 6695.19, 0.00318059/step, 2.54235 hours remaining, 238.351562 MB of memory in use. ENERGY: 2122400 3906.5818 20483.5928 14406.2081 224.3075 -203797.1678 2768.6629 0.0000 0.0000 52106.9830 -109900.8317 299.4595 -162007.8147 -109535.7499 298.5636 36.8912 61.4421 762534.2455 9.8765 9.7452 PRESSURE: 2122600 186.466 -146.185 18.4905 -146.185 150.821 -19.5571 18.4909 -19.5568 -38.3001 GPRESSURE: 2122600 150.813 -181.067 2.75381 -163.845 193.588 -50.279 85.0104 3.90971 27.261 PRESSAVG: 2122600 53.979 18.8721 4.93879 18.8721 -39.9129 29.5849 4.93884 29.5849 1.61581 GPRESSAVG: 2122600 54.1905 21.2471 5.763 18.1285 -39.5041 29.6225 3.7188 27.3701 1.06966 TIMING: 2122600 CPU: 6695.82, 0.00314813/step Wall: 6695.82, 0.00314813/step, 2.51623 hours remaining, 238.351562 MB of memory in use. ENERGY: 2122600 4000.5924 20492.6337 14432.3545 245.0448 -203599.3042 2736.7508 0.0000 0.0000 51940.4800 -109751.4479 298.5027 -161691.9280 -109395.2184 298.4115 99.6626 123.8873 762244.5198 5.2273 5.2520 PRESSURE: 2122800 110.74 210.221 185.462 210.22 111.299 3.96861 185.463 3.97013 214.915 GPRESSURE: 2122800 175.603 237.903 90.1737 203.197 130.305 50.2105 106.329 -100.191 216.844 PRESSAVG: 2122800 40.754 -4.94898 25.6827 -4.94897 -31.7917 33.9086 25.6827 33.9087 13.0408 GPRESSAVG: 2122800 41.0879 -6.7136 26.4259 -5.74566 -33.0879 33.2687 25.8534 33.8101 13.767 TIMING: 2122800 CPU: 6696.46, 0.00321352/step Wall: 6696.46, 0.00321353/step, 2.56832 hours remaining, 238.351562 MB of memory in use. ENERGY: 2122800 3980.4084 20556.4540 14504.4298 256.8663 -203931.1608 2919.4991 0.0000 0.0000 51714.4604 -109999.0427 297.2037 -161713.5031 -109642.5532 298.3523 145.6513 174.2508 762397.0421 7.3344 7.2557 PRESSURE: 2123000 -211.361 50.431 93.1208 50.4308 -60.2324 -179.859 93.1217 -179.859 -386.964 GPRESSURE: 2123000 -229.92 103.503 163.456 61.2498 34.917 -148.827 90.9778 -122.385 -375.631 PRESSAVG: 2123000 18.7655 21.8683 4.21617 21.8683 -2.33533 18.6363 4.21617 18.6363 5.45925 GPRESSAVG: 2123000 17.9301 23.3776 4.36675 23.0632 -1.36463 18.6248 3.16337 18.0416 4.52026 TIMING: 2123000 CPU: 6697.09, 0.00317542/step Wall: 6697.09, 0.00317542/step, 2.53769 hours remaining, 238.351562 MB of memory in use. ENERGY: 2123000 3972.8759 20642.4619 14417.2216 262.8927 -203583.4894 2530.1072 0.0000 0.0000 52008.4099 -109749.5203 298.8930 -161757.9302 -109393.9259 298.5843 -219.5191 -190.2113 761497.7958 7.2965 7.0286 PRESSURE: 2123200 -133.505 -19.2429 223.281 -19.2436 102.244 -48.5504 223.281 -48.5509 518.078 GPRESSURE: 2123200 -55.8458 27.7653 153.735 1.66837 90.6906 -86.4994 180.2 -47.4985 540.796 PRESSAVG: 2123200 -69.5613 -17.0356 -25.2084 -17.0357 75.3629 -10.2674 -25.2085 -10.2674 8.94883 GPRESSAVG: 2123200 -70.3515 -17.8232 -25.5035 -15.653 76.3113 -10.5348 -23.7681 -10.3259 8.99574 TIMING: 2123200 CPU: 6697.73, 0.00317007/step Wall: 6697.73, 0.00317007/step, 2.53323 hours remaining, 238.351562 MB of memory in use. ENERGY: 2123200 3957.4007 20468.6589 14503.2067 247.2588 -203478.3959 2633.3054 0.0000 0.0000 51992.4001 -109676.1653 298.8010 -161668.5654 -109314.0612 298.7973 162.2724 191.8802 763561.2995 4.9168 4.9852 PRESSURE: 2123400 304.449 -64.7596 50.2695 -64.7596 -38.0084 -217.469 50.2688 -217.469 -188.304 GPRESSURE: 2123400 376.239 -98.8467 19.1242 53.7842 13.1685 -212.323 13.2206 -121.829 -228.393 PRESSAVG: 2123400 -76.5694 14.9666 -12.5624 14.9666 29.0033 -22.1173 -12.5624 -22.1172 13.7183 GPRESSAVG: 2123400 -74.6423 14.4944 -12.5835 13.3788 28.1642 -23.6744 -14.5306 -20.0581 12.7059 TIMING: 2123400 CPU: 6698.36, 0.00316374/step Wall: 6698.36, 0.00316375/step, 2.52801 hours remaining, 238.351562 MB of memory in use. ENERGY: 2123400 4062.9029 20581.5268 14482.7979 241.9354 -203691.2573 2806.6724 0.0000 0.0000 52175.4482 -109339.9737 299.8530 -161515.4220 -108974.0922 299.5547 26.0457 53.6714 761498.6184 -11.2826 -11.2574 PRESSURE: 2123600 65.2505 -76.5139 -72.8415 -76.5136 91.761 6.88123 -72.8412 6.88143 -492.623 GPRESSURE: 2123600 90.4128 -120.15 10.4821 -296.78 58.9954 -51.5057 -73.6856 8.51828 -417.706 PRESSAVG: 2123600 -36.7999 -5.81561 -16.7682 -5.8156 92.1882 0.209886 -16.7682 0.20985 0.546751 GPRESSAVG: 2123600 -37.4445 -6.80956 -15.3782 -7.25162 92.511 2.24191 -15.8681 -0.960618 1.31377 TIMING: 2123600 CPU: 6699, 0.003197/step Wall: 6699, 0.003197/step, 2.5544 hours remaining, 238.351562 MB of memory in use. ENERGY: 2123600 4060.8177 20669.0114 14434.1463 263.7604 -203880.3268 2727.7452 0.0000 0.0000 52111.8257 -109613.0201 299.4874 -161724.8458 -109255.4082 299.6965 -111.8706 -89.4326 762269.9052 18.6450 18.7934 PRESSURE: 2123800 -7.7271 -162.862 -93.6645 -162.861 296.738 147.974 -93.6641 147.974 302.179 GPRESSURE: 2123800 222.214 -158.742 -78.41 -154.325 225.152 204.152 -194.108 -14.5303 225.697 PRESSAVG: 2123800 -21.4455 -12.2182 0.313599 -12.2182 41.6188 23.8391 0.313632 23.8392 6.27664 GPRESSAVG: 2123800 -20.7119 -12.664 0.345679 -9.48755 41.2475 23.5113 0.407197 22.0615 5.71883 TIMING: 2123800 CPU: 6699.63, 0.00317375/step Wall: 6699.63, 0.00317375/step, 2.53565 hours remaining, 238.351562 MB of memory in use. ENERGY: 2123800 4069.3914 20620.7216 14427.7646 269.4408 -203844.4040 2874.7395 0.0000 0.0000 52089.4698 -109492.8763 299.3589 -161582.3462 -109133.7294 299.5482 197.0634 224.3545 759637.0318 8.8167 8.7515 PRESSURE: 2124000 -190.831 -75.1179 123.956 -75.1186 187.335 -87.4452 123.956 -87.4442 22.8421 GPRESSURE: 2124000 -104.422 -97.6965 138.674 -119.175 134.591 4.41465 97.1673 -67.7249 94.1801 PRESSAVG: 2124000 -19.6958 2.14866 12.8696 2.14872 43.8161 18.134 12.8697 18.1339 17.3048 GPRESSAVG: 2124000 -20.0387 3.11347 13.0865 0.0100394 43.2223 17.9216 13.9144 18.1337 18.7019 TIMING: 2124000 CPU: 6700.27, 0.00316204/step Wall: 6700.27, 0.00316204/step, 2.52612 hours remaining, 238.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2124000 4010.2200 20511.2059 14429.5715 248.4023 -203107.2410 2458.6087 0.0000 0.0000 52063.5289 -109385.7038 299.2098 -161449.2327 -109026.6122 299.9132 6.4485 41.4496 760211.0424 13.8084 13.9618 PRESSURE: 2124200 -219.137 -113.504 -152.537 -113.504 -29.7479 -57.8232 -152.537 -57.8233 299.525 GPRESSURE: 2124200 -153.548 1.74929 -127.35 -135.132 -9.91525 -46.8889 2.78698 69.6115 295.735 PRESSAVG: 2124200 -47.1192 -27.244 18.443 -27.244 19.8936 -7.40637 18.443 -7.40641 -15.2045 GPRESSAVG: 2124200 -48.3284 -26.8757 16.8383 -27.2591 21.7743 -7.35538 19.1697 -5.14342 -16.4129 TIMING: 2124200 CPU: 6700.9, 0.00316441/step Wall: 6700.9, 0.00316441/step, 2.52783 hours remaining, 238.351562 MB of memory in use. ENERGY: 2124200 4047.8176 20548.6413 14406.4421 260.3572 -203657.9905 2621.8636 0.0000 0.0000 52147.0218 -109625.8468 299.6897 -161772.8687 -109265.1233 299.7547 16.8802 44.0907 759289.1907 -14.1434 -14.3223 LDB: ============= START OF LOAD BALANCING ============== 6713.3 LDB: ============== END OF LOAD BALANCING =============== 6713.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6713.3 LDB: ============= START OF LOAD BALANCING ============== 6713.62 LDB: Largest compute 7025 load 0.034711 is 17.7% of average load 0.195868 LDB: Average compute 0.004403 is 2.2% of average load 0.195868 LDB: TIME 6713.62 LOAD: AVG 0.195868 MAX 0.214758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.688 MB LDB: TIME 6713.62 LOAD: AVG 0.195868 MAX 0.214758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: TIME 6713.62 LOAD: AVG 0.195868 MAX 0.214758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: ============== END OF LOAD BALANCING =============== 6713.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6713.63 PRESSURE: 2124400 -250.564 -222.439 316.697 -222.439 146.006 141.218 316.696 141.22 132.394 GPRESSURE: 2124400 -201.93 -284.086 300.489 -260.382 179.454 179.36 270.719 165.947 123.388 PRESSAVG: 2124400 -22.7526 -9.01982 -2.90787 -9.01987 -19.1724 18.2327 -2.90784 18.2328 17.5623 GPRESSAVG: 2124400 -21.2755 -10.1306 -1.83725 -7.46465 -20.5407 18.4058 -4.28713 18.1618 17.4758 TIMING: 2124400 CPU: 6701.55, 0.00323312/step Wall: 6701.55, 0.00323312/step, 2.58255 hours remaining, 239.878906 MB of memory in use. ENERGY: 2124400 4010.7343 20675.4180 14399.6199 256.6100 -203478.4640 2539.8669 0.0000 0.0000 52017.1458 -109579.0690 298.9433 -161596.2148 -109225.0545 299.6326 9.2788 33.6375 760164.9756 -8.1209 -8.1135 PRESSURE: 2124600 -131.288 74.2069 95.2508 74.2072 -53.5592 133.917 95.2509 133.916 -36.1349 GPRESSURE: 2124600 -222.893 31.3715 118.823 124.551 73.1726 106.736 36.673 89.9126 -10.5181 PRESSAVG: 2124600 25.7237 -21.1729 -11.8649 -21.1729 21.5368 44.6052 -11.8649 44.6052 37.2081 GPRESSAVG: 2124600 25.668 -19.5659 -13.4876 -22.6227 22.0904 44.355 -13.4766 43.342 36.4964 TIMING: 2124600 CPU: 6702.17, 0.00314366/step Wall: 6702.17, 0.00314366/step, 2.51091 hours remaining, 239.945312 MB of memory in use. ENERGY: 2124600 3982.1338 20543.5882 14433.3478 235.7993 -203570.8905 2695.5742 0.0000 0.0000 51943.0818 -109737.3655 298.5176 -161680.4473 -109375.0489 299.1631 -73.6607 -53.4129 761781.2322 28.1562 28.0849 PRESSURE: 2124800 35.5235 6.20669 -13.2295 6.20781 -107.699 -129.635 -13.2285 -129.635 112.668 GPRESSURE: 2124800 -7.56452 10.1955 28.8399 -11.0595 10.4369 -98.9716 -76.0032 -35.2626 112.408 PRESSAVG: 2124800 -28.8863 -8.76506 -38.6393 -8.76505 13.2882 8.19653 -38.6392 8.19662 9.18188 GPRESSAVG: 2124800 -28.9378 -9.76683 -37.2466 -8.62388 13.9611 8.78915 -36.5134 7.3821 8.51974 TIMING: 2124800 CPU: 6702.81, 0.00315389/step Wall: 6702.81, 0.00315389/step, 2.51891 hours remaining, 239.945312 MB of memory in use. ENERGY: 2124800 4023.1621 20577.8782 14412.6224 249.6095 -203423.4231 2412.2930 0.0000 0.0000 51992.8860 -109754.9719 298.8038 -161747.8579 -109397.4700 298.9621 13.4976 38.4269 761182.6595 -2.1387 -2.1523 PRESSURE: 2125000 -298.365 39.8267 63.0133 39.8271 -30.3245 -209.659 63.013 -209.661 104.031 GPRESSURE: 2125000 -229.534 18.1861 39.2919 -23.0351 -55.0786 -258.049 29.5516 -69.1503 147.824 PRESSAVG: 2125000 38.4779 -4.61219 8.16273 -4.61214 -56.5832 46.2586 8.16277 46.2586 -2.43517 GPRESSAVG: 2125000 37.4837 -5.81943 7.58675 -3.58701 -56.3092 45.1381 8.1056 47.3309 -1.84445 TIMING: 2125000 CPU: 6703.44, 0.00314953/step Wall: 6703.44, 0.00314952/step, 2.51525 hours remaining, 239.945312 MB of memory in use. ENERGY: 2125000 3954.8452 20520.8826 14416.1448 227.6029 -203637.7838 2570.1023 0.0000 0.0000 52215.9968 -109732.2093 300.0861 -161948.2061 -109369.9778 299.3067 -74.8863 -45.5963 759205.7413 -6.8468 -6.8900 PRESSURE: 2125200 322.191 18.9009 -149.268 18.9009 -70.8493 -137.387 -149.268 -137.388 74.8205 GPRESSURE: 2125200 249.329 -94.4444 -210.188 -28.9715 43.2135 -53.7761 -148.387 -164.465 128.122 PRESSAVG: 2125200 62.7374 -1.16149 -23.754 -1.16151 -20.7208 -44.4255 -23.7539 -44.4255 -2.21812 GPRESSAVG: 2125200 63.4292 -0.0162255 -23.482 -2.49798 -20.0997 -42.7315 -22.9825 -47.1964 -2.97792 TIMING: 2125200 CPU: 6704.06, 0.0031225/step Wall: 6704.06, 0.0031225/step, 2.49349 hours remaining, 239.945312 MB of memory in use. ENERGY: 2125200 3899.6446 20441.5066 14474.9614 244.4472 -203151.9427 2616.9115 0.0000 0.0000 51815.6911 -109658.7801 297.7855 -161474.4712 -109295.8359 298.8508 108.7208 140.2214 760933.8308 13.2662 13.4505 PRESSURE: 2125400 -275.951 -24.2566 151.37 -24.2563 48.0677 79.9468 151.371 79.9467 -45.7519 GPRESSURE: 2125400 -154.668 -31.8103 144.88 60.5984 25.8112 3.2663 100.722 149.122 -45.9049 PRESSAVG: 2125400 -35.6276 -1.66167 -14.8218 -1.66176 39.5589 -20.0447 -14.8218 -20.0447 -0.452435 GPRESSAVG: 2125400 -36.5288 -1.02518 -13.4728 -1.14423 38.1974 -21.0227 -17.7364 -18.2405 1.36763 TIMING: 2125400 CPU: 6704.69, 0.00314326/step Wall: 6704.69, 0.00314326/step, 2.50989 hours remaining, 239.945312 MB of memory in use. ENERGY: 2125400 4035.6067 20670.8077 14472.3251 230.7567 -203404.4869 2567.5093 0.0000 0.0000 52014.4176 -109413.0638 298.9276 -161427.4814 -109054.4633 299.0415 -91.2118 -58.2540 759793.1844 1.1596 1.0121 PRESSURE: 2125600 246.635 -38.3242 53.086 -38.3236 294.584 -24.1966 53.0859 -24.1974 -33.5568 GPRESSURE: 2125600 256.25 -32.5694 56.1426 63.2627 380.044 3.99532 32.2349 127.86 -12.145 PRESSAVG: 2125600 -1.40519 -13.1716 23.0028 -13.1717 33.4243 -13.5838 23.0029 -13.5839 -3.70453 GPRESSAVG: 2125600 -1.2154 -13.0728 21.8313 -12.561 34.0348 -13.0178 24.8665 -14.0986 -4.17703 TIMING: 2125600 CPU: 6705.32, 0.00314562/step Wall: 6705.32, 0.00314562/step, 2.5116 hours remaining, 239.945312 MB of memory in use. ENERGY: 2125600 3893.9426 20656.2420 14413.4543 228.4348 -203159.2097 2605.2163 0.0000 0.0000 52140.6143 -109221.3055 299.6528 -161361.9198 -108861.6083 299.9056 169.2208 208.0497 758887.6216 9.4382 9.5474 PRESSURE: 2125800 97.8338 -43.6445 80.4816 -43.6452 126.143 -249.077 80.482 -249.076 -265.852 GPRESSURE: 2125800 64.2775 -119.403 56.7871 -177.789 162.541 -176.286 74.1652 -249.542 -211.387 PRESSAVG: 2125800 -22.7565 19.6281 -39.1371 19.6281 32.2954 -30.8639 -39.1371 -30.8639 13.2275 GPRESSAVG: 2125800 -21.5344 19.4793 -39.3545 18.5907 32.1625 -32.0341 -41.2037 -29.7278 12.8698 TIMING: 2125800 CPU: 6705.95, 0.00316991/step Wall: 6705.95, 0.00316991/step, 2.53082 hours remaining, 239.945312 MB of memory in use. ENERGY: 2125800 4071.9768 20568.5128 14527.0706 255.4089 -203259.0504 2630.5498 0.0000 0.0000 52168.6047 -109036.9269 299.8137 -161205.5316 -108672.7683 299.8267 -13.9586 5.1439 761381.5670 7.5888 7.8326 PRESSURE: 2126000 93.0843 122.621 -27.296 122.621 154.002 23.7522 -27.2959 23.7526 -404.069 GPRESSURE: 2126000 68.5932 231.916 31.1056 135.516 119.9 40.8065 -67.0561 -2.60093 -279.478 PRESSAVG: 2126000 3.58555 -7.15514 -33.0676 -7.15519 33.114 -33.7015 -33.0675 -33.7015 12.6835 GPRESSAVG: 2126000 3.64285 -6.77628 -31.3511 -7.75645 32.7201 -36.0923 -32.6559 -35.3249 13.1348 TIMING: 2126000 CPU: 6706.59, 0.00317383/step Wall: 6706.59, 0.00317383/step, 2.53377 hours remaining, 239.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2126000 4041.4396 20627.4461 14452.1677 232.1604 -203182.1971 2590.2538 0.0000 0.0000 52190.4341 -109048.2953 299.9391 -161238.7295 -108688.4503 300.2946 -52.3275 -30.3282 760682.9746 16.4610 16.4992 PRESSURE: 2126200 -5.2764 68.647 -187.677 68.6475 -95.6783 -109.098 -187.677 -109.098 62.1328 GPRESSURE: 2126200 -13.1213 9.52894 -248.861 33.4075 -48.0172 -131.487 -192.274 -106.556 97.6008 PRESSAVG: 2126200 -6.92912 -43.3408 -70.8333 -43.3409 35.7192 -9.66443 -70.8333 -9.66437 -4.86122 GPRESSAVG: 2126200 -8.24524 -45.3816 -72.289 -43.1681 36.8368 -7.48221 -68.6632 -8.75969 -5.0663 TIMING: 2126200 CPU: 6707.22, 0.00319295/step Wall: 6707.22, 0.00319295/step, 2.54886 hours remaining, 239.945312 MB of memory in use. ENERGY: 2126200 3859.3109 20688.3547 14523.0573 246.2278 -203307.9257 2664.8168 0.0000 0.0000 52138.9102 -109187.2480 299.6430 -161326.1582 -108825.1599 300.1682 -12.9407 12.1541 761380.4478 7.9763 7.8418 PRESSURE: 2126400 -188.358 -23.0447 -18.8473 -23.0452 -192.114 -64.9941 -18.8473 -64.9937 -410.651 GPRESSURE: 2126400 -257.259 34.5193 97.4 -24.4207 -54.8135 -116.44 10.8231 -25.8441 -389.33 PRESSAVG: 2126400 18.2999 -49.8582 1.05496 -49.8582 -2.53812 -5.68279 1.05493 -5.6828 24.6478 GPRESSAVG: 2126400 18.7462 -48.8819 3.37092 -50.4698 -2.77152 -6.66967 -0.877277 -4.74635 24.2415 TIMING: 2126400 CPU: 6707.86, 0.00317659/step Wall: 6707.86, 0.00317659/step, 2.53562 hours remaining, 239.945312 MB of memory in use. ENERGY: 2126400 3998.2993 20556.3784 14498.9700 258.1199 -203091.9231 2441.1030 0.0000 0.0000 52036.9520 -109302.1006 299.0571 -161339.0526 -108952.2338 299.6404 -263.7079 -233.8010 761910.7203 13.4699 13.4054 PRESSURE: 2126600 335.665 178.235 -101.72 178.234 -120.047 -25.623 -101.719 -25.6228 87.1068 GPRESSURE: 2126600 351.43 209.022 -100.712 145.645 -72.1021 -60.7279 69.0522 -19.1 101.146 PRESSAVG: 2126600 -11.4991 -36.2497 -24.6564 -36.2497 29.3413 -16.0975 -24.6564 -16.0975 -21.8455 GPRESSAVG: 2126600 -11.204 -36.3727 -27.64 -34.5947 28.937 -15.5898 -22.8746 -17.7508 -21.5777 TIMING: 2126600 CPU: 6708.49, 0.00315523/step Wall: 6708.49, 0.00315523/step, 2.5184 hours remaining, 239.945312 MB of memory in use. ENERGY: 2126600 3978.0947 20580.8669 14473.0625 249.2257 -203495.0591 2919.4000 0.0000 0.0000 52035.6575 -109258.7518 299.0496 -161294.4093 -108893.7230 299.7014 100.9081 126.8245 761142.7529 -1.3344 -1.2816 PRESSURE: 2126800 -131.767 -17.0811 -136.777 -17.0807 227.937 -39.0297 -136.777 -39.0298 63.1281 GPRESSURE: 2126800 -67.3309 24.0093 -167.678 -74.55 245.779 -75.3539 -104.875 -66.2338 58.8443 PRESSAVG: 2126800 -42.1429 -19.5773 -38.0044 -19.5772 42.5514 10.0774 -38.0044 10.0774 18.6586 GPRESSAVG: 2126800 -42.0012 -19.9269 -36.1546 -20.0009 42.5721 10.1437 -38.4466 11.2979 18.5719 TIMING: 2126800 CPU: 6709.13, 0.00318078/step Wall: 6709.13, 0.00318078/step, 2.53862 hours remaining, 239.945312 MB of memory in use. ENERGY: 2126800 3962.5726 20473.8755 14506.2292 241.3219 -203391.6970 2403.6156 0.0000 0.0000 52358.9683 -109445.1139 300.9077 -161804.0822 -109075.1747 299.9622 53.0992 79.0974 759511.5320 6.3557 6.3809 PRESSURE: 2127000 125.114 307.865 -20.8816 307.866 229.205 185.002 -20.8801 185.001 64.6535 GPRESSURE: 2127000 121.652 146.435 -19.7991 191.102 249.406 109.541 22.2557 78.2302 125.036 PRESSAVG: 2127000 -44.1249 -64.3543 -65.0271 -64.3543 22.4969 10.2589 -65.0271 10.2589 -1.75752 GPRESSAVG: 2127000 -44.0355 -64.0899 -66.2791 -67.279 21.6171 9.59882 -62.1015 10.4693 -1.55821 TIMING: 2127000 CPU: 6709.75, 0.00313566/step Wall: 6709.75, 0.00313566/step, 2.50243 hours remaining, 239.945312 MB of memory in use. ENERGY: 2127000 4023.5316 20662.2205 14507.7492 257.8954 -203440.7586 2591.2165 0.0000 0.0000 51753.9133 -109644.2319 297.4305 -161398.1453 -109286.0095 299.0602 139.6575 165.3645 759541.9522 -7.7952 -7.9922 PRESSURE: 2127200 -126.082 75.5527 49.422 75.5519 -131.383 99.6748 49.4224 99.6739 158.523 GPRESSURE: 2127200 -85.9257 54.4706 2.34827 129.053 -91.1435 157.649 28.5203 126.361 170.379 PRESSAVG: 2127200 24.8261 43.0838 21.7126 43.0838 -22.7602 10.0537 21.7126 10.0538 -11.2036 GPRESSAVG: 2127200 23.9211 42.1094 23.2361 45.7034 -21.1661 10.432 18.0953 10.3422 -11.6767 TIMING: 2127200 CPU: 6710.38, 0.00314764/step Wall: 6710.38, 0.00314764/step, 2.51182 hours remaining, 239.945312 MB of memory in use. ENERGY: 2127200 4021.9172 20532.2649 14416.2433 251.9527 -203392.4619 2517.0739 0.0000 0.0000 52300.5971 -109352.4128 300.5723 -161653.0099 -108996.3586 299.5835 -32.9807 -2.2302 760769.0743 -3.0459 -2.9739 PRESSURE: 2127400 -187.488 131.482 -83.7039 131.483 -316.534 -251.825 -83.7051 -251.824 -105.298 GPRESSURE: 2127400 -102.467 65.0388 -121.212 106.646 -305.2 -268.219 -83.3915 -156.515 -93.3437 PRESSAVG: 2127400 -19.1983 51.233 18.0566 51.233 37.2863 1.71742 18.0565 1.71743 -10.3742 GPRESSAVG: 2127400 -18.1407 51.3375 17.4499 52.0246 36.8911 0.378543 17.2439 0.700538 -11.0622 TIMING: 2127400 CPU: 6711.02, 0.00316677/step Wall: 6711.02, 0.00316677/step, 2.52691 hours remaining, 239.945312 MB of memory in use. ENERGY: 2127400 3930.6103 20528.2386 14432.7208 240.7214 -202590.4886 1881.0858 0.0000 0.0000 52272.6627 -109304.4489 300.4117 -161577.1116 -108941.6603 299.7800 -203.1065 -167.0034 760756.2173 2.5713 2.5627 PRESSURE: 2127600 193.704 -66.072 186.314 -66.0721 85.2911 122.876 186.314 122.877 221.774 GPRESSURE: 2127600 160.699 -31.0606 200.379 -3.41119 183.995 143.475 111.137 160.973 241.219 PRESSAVG: 2127600 -14.6571 7.06611 42.966 7.06621 46.8196 13.9337 42.966 13.9336 -24.7292 GPRESSAVG: 2127600 -16.7221 7.25297 41.5785 7.48606 46.192 15.352 47.4255 13.5311 -22.6067 TIMING: 2127600 CPU: 6711.65, 0.00316277/step Wall: 6711.65, 0.00316277/step, 2.52354 hours remaining, 239.945312 MB of memory in use. ENERGY: 2127600 3936.6825 20629.2320 14428.8049 239.4356 -203237.2480 2658.3861 0.0000 0.0000 52275.1486 -109069.5583 300.4260 -161344.7069 -108707.9504 300.2475 166.9228 195.3041 760526.8705 2.4778 2.2877 PRESSURE: 2127800 -179.559 91.8019 46.9236 91.8021 -74.1023 -202.34 46.9235 -202.339 -27.0588 GPRESSURE: 2127800 -189.827 92.8425 54.2752 152.952 -14.0163 -172.744 262.03 -141.493 13.465 PRESSAVG: 2127800 8.59429 1.2499 -49.4869 1.24993 16.6512 18.0211 -49.487 18.0211 13.6008 GPRESSAVG: 2127800 9.95931 2.0382 -48.4465 -0.323037 17.9735 18.9917 -52.69 17.8333 10.8019 TIMING: 2127800 CPU: 6712.28, 0.00316811/step Wall: 6712.28, 0.00316811/step, 2.52762 hours remaining, 239.945312 MB of memory in use. ENERGY: 2127800 3985.0576 20721.2046 14487.3139 258.1765 -203422.6052 2696.5226 0.0000 0.0000 52272.6612 -109001.6688 300.4117 -161274.3300 -108642.6579 300.2553 -93.5735 -63.4595 761878.0293 12.9488 12.9116 PRESSURE: 2128000 -167.729 -183.264 -142.413 -183.264 -138.572 -119.059 -142.412 -119.058 -420.041 GPRESSURE: 2128000 -252.162 -126.641 -185.848 -21.7346 0.438422 -205.337 -130.791 -38.1465 -384.008 PRESSAVG: 2128000 37.7595 -8.65459 18.6736 -8.65457 -35.8669 -38.3095 18.6736 -38.3095 37.5237 GPRESSAVG: 2128000 38.099 -9.25875 18.4649 -6.46991 -37.5498 -40.507 21.0471 -37.6778 38.5138 TIMING: 2128000 CPU: 6712.92, 0.00316958/step Wall: 6712.92, 0.00316958/step, 2.52862 hours remaining, 239.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2128000 3963.5961 20454.8882 14426.8308 268.6605 -202792.1839 2458.5454 0.0000 0.0000 52275.3687 -108944.2942 300.4273 -161219.6628 -108578.6964 300.8186 -242.1143 -211.9106 763815.8562 13.1388 13.0210 PRESSURE: 2128200 64.9166 -103.787 -83.4476 -103.788 -185.229 47.593 -83.4474 47.592 417.508 GPRESSURE: 2128200 -1.1569 -76.6559 1.79333 93.6163 -56.2198 95.1902 -203.9 0.297177 417.985 PRESSAVG: 2128200 -9.36554 14.2396 5.36579 14.2396 -62.6107 15.4563 5.3657 15.4563 -6.01272 GPRESSAVG: 2128200 -10.3327 15.264 6.79611 13.3829 -62.2253 16.1054 3.40902 14.0489 -5.45954 TIMING: 2128200 CPU: 6713.56, 0.00319908/step Wall: 6713.56, 0.00319908/step, 2.55198 hours remaining, 239.945312 MB of memory in use. ENERGY: 2128200 4002.8021 20596.9706 14437.5807 246.4539 -203137.1542 2645.2767 0.0000 0.0000 52186.5433 -109021.5268 299.9168 -161208.0701 -108666.9913 300.0489 99.0653 120.2029 762819.7974 -25.9963 -26.0058 LDB: ============= START OF LOAD BALANCING ============== 6725.96 LDB: ============== END OF LOAD BALANCING =============== 6725.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6725.96 LDB: ============= START OF LOAD BALANCING ============== 6726.28 LDB: Largest compute 7025 load 0.038501 is 19.7% of average load 0.195886 LDB: Average compute 0.004420 is 2.3% of average load 0.195886 LDB: TIME 6726.29 LOAD: AVG 0.195886 MAX 0.215455 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.039 MB LDB: TIME 6726.29 LOAD: AVG 0.195886 MAX 0.215455 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.039 MB LDB: TIME 6726.29 LOAD: AVG 0.195886 MAX 0.215455 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.039 MB LDB: ============== END OF LOAD BALANCING =============== 6726.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6726.29 PRESSURE: 2128400 146.053 60.58 -10.0916 60.5801 46.3588 -67.2081 -10.0927 -67.2089 -663.575 GPRESSURE: 2128400 243.817 -17.4265 -19.7224 -35.5955 23.4459 -174.757 -7.51406 -127.378 -659.905 PRESSAVG: 2128400 54.8517 -25.6091 -21.5071 -25.6091 -18.0418 -41.6938 -21.5071 -41.6939 2.22966 GPRESSAVG: 2128400 54.5509 -25.1659 -21.8921 -26.9467 -17.9062 -41.4782 -20.4193 -41.889 2.18543 TIMING: 2128400 CPU: 6714.21, 0.00326592/step Wall: 6714.21, 0.00326592/step, 2.60512 hours remaining, 238.910156 MB of memory in use. ENERGY: 2128400 3945.2992 20458.9932 14474.5664 240.2273 -203228.1822 2620.6505 0.0000 0.0000 52335.0315 -109153.4139 300.7701 -161488.4455 -108779.8476 299.9075 -157.0543 -130.8810 763919.6934 13.0132 12.9434 PRESSURE: 2128600 -87.7514 14.6893 -158.608 14.6889 -22.0031 -153.74 -158.607 -153.74 107.422 GPRESSURE: 2128600 -73.4595 61.2784 -115.485 -71.1884 -0.144253 -176.692 -177.432 -155.936 141.27 PRESSAVG: 2128600 9.95776 -17.6697 -13.0866 -17.6697 -38.701 -47.4738 -13.0866 -47.4738 -13.8671 GPRESSAVG: 2128600 10.8384 -20.1655 -13.4114 -16.6531 -39.4615 -46.2291 -12.8163 -46.212 -14.3515 TIMING: 2128600 CPU: 6714.84, 0.00316905/step Wall: 6714.84, 0.00316905/step, 2.52767 hours remaining, 239.113281 MB of memory in use. ENERGY: 2128600 3922.7858 20612.1805 14432.1388 241.0860 -203170.0530 2490.7501 0.0000 0.0000 52149.5820 -109321.5299 299.7044 -161471.1119 -108962.2229 299.7951 -0.7776 22.5556 762695.6009 -14.2034 -14.3249 PRESSURE: 2128800 -129.629 -4.49021 -63.3701 -4.49049 -92.5386 246.781 -63.371 246.782 -119.273 GPRESSURE: 2128800 -194.573 -52.4139 -60.9539 -10.9756 26.6849 191.407 -189.01 170.123 -94.6051 PRESSAVG: 2128800 -41.0624 -57.6431 12.5319 -57.643 35.6393 -3.85816 12.5318 -3.85808 6.70278 GPRESSAVG: 2128800 -42.846 -53.573 12.3024 -58.7695 36.9443 -4.8827 12.2525 -5.4696 7.42295 TIMING: 2128800 CPU: 6715.48, 0.00318708/step Wall: 6715.48, 0.00318708/step, 2.54187 hours remaining, 239.113281 MB of memory in use. ENERGY: 2128800 4068.6772 20685.3821 14476.7248 246.6022 -203248.1950 2818.5412 0.0000 0.0000 51879.9728 -109072.2947 298.1549 -160952.2675 -108724.8008 299.8627 -113.8137 -87.4976 763354.6488 0.4266 0.5071 PRESSURE: 2129000 165.241 -17.5268 -106.49 -17.5266 -448.117 72.5677 -106.49 72.5662 253.761 GPRESSURE: 2129000 147.041 92.8876 -212.231 -92.4224 -373.108 -13.0112 -67.3093 81.106 275.222 PRESSAVG: 2129000 2.26017 32.5052 -14.5921 32.5052 1.31139 23.909 -14.5921 23.909 3.97414 GPRESSAVG: 2129000 3.11432 29.1696 -14.6429 34.7505 1.34182 23.3663 -14.737 25.3047 3.6582 TIMING: 2129000 CPU: 6716.11, 0.003154/step Wall: 6716.11, 0.003154/step, 2.51531 hours remaining, 239.113281 MB of memory in use. ENERGY: 2129000 3920.2629 20564.5937 14521.7005 247.7670 -203094.4518 2707.8143 0.0000 0.0000 52055.8793 -109076.4342 299.1659 -161132.3135 -108724.2466 300.2847 -9.7051 16.3848 762241.1948 2.5152 2.7048 PRESSURE: 2129200 -136.194 -146.258 21.8151 -146.258 -43.4803 39.8518 21.816 39.8509 35.1059 GPRESSURE: 2129200 -118.502 -123.716 39.1356 19.147 51.2003 56.0898 116.841 -16.941 -3.24362 PRESSAVG: 2129200 -32.286 43.6326 37.141 43.6326 11.3081 12.3588 37.141 12.3589 -28.4334 GPRESSAVG: 2129200 -31.898 43.8675 36.9283 42.5623 11.349 13.1382 36.4977 12.3681 -28.4901 TIMING: 2129200 CPU: 6716.74, 0.00314713/step Wall: 6716.74, 0.00314713/step, 2.50966 hours remaining, 239.113281 MB of memory in use. ENERGY: 2129200 4029.9866 20421.4208 14445.5794 241.5710 -203024.3802 2704.0969 0.0000 0.0000 52171.9416 -109009.7838 299.8329 -161181.7254 -108632.0899 299.7337 -48.1894 -23.5152 764128.2646 -16.4704 -16.3464 PRESSURE: 2129400 118.145 7.88433 135.324 7.88395 -424.428 -42.2471 135.324 -42.2474 68.6366 GPRESSURE: 2129400 161.9 25.6502 89.7041 -36.1219 -380.237 -38.5078 34.9308 -13.3689 52.1511 PRESSAVG: 2129400 -38.2676 15.7202 9.08649 15.7203 32.5881 -22.441 9.08646 -22.4411 7.49002 GPRESSAVG: 2129400 -37.7975 18.1963 9.56672 14.3359 31.2126 -22.8025 8.39544 -22.3205 8.40496 TIMING: 2129400 CPU: 6717.37, 0.00315235/step Wall: 6717.37, 0.00315235/step, 2.51365 hours remaining, 239.113281 MB of memory in use. ENERGY: 2129400 3983.3200 20479.7271 14466.2974 245.5974 -203065.9955 2529.0745 0.0000 0.0000 52271.7427 -109090.2364 300.4064 -161361.9792 -108711.6716 299.8444 -79.2155 -55.3953 763855.0794 0.6035 0.6067 PRESSURE: 2129600 98.3553 -186.294 297.505 -186.294 -264.103 38.5564 297.505 38.5562 209.536 GPRESSURE: 2129600 11.4575 -53.6325 268.56 -33.4643 -128.545 83.665 285.299 -13.1807 230.597 PRESSAVG: 2129600 2.45032 -56.9881 1.91888 -56.9881 9.00318 -8.7646 1.91883 -8.76471 -3.13578 GPRESSAVG: 2129600 2.40884 -57.5339 0.658139 -57.0354 9.00518 -7.22975 3.84953 -9.73301 -3.2318 TIMING: 2129600 CPU: 6718, 0.0031565/step Wall: 6718, 0.0031565/step, 2.51678 hours remaining, 239.113281 MB of memory in use. ENERGY: 2129600 4028.1559 20565.2944 14386.1983 261.9890 -203327.0005 2558.6574 0.0000 0.0000 52297.8303 -109228.8752 300.5563 -161526.7055 -108861.1921 300.3119 14.5961 37.8364 760626.0318 2.7726 2.7274 PRESSURE: 2129800 -146.877 285.836 -138.07 285.836 -331.695 213.583 -138.07 213.583 -47.1208 GPRESSURE: 2129800 -84.9958 277.546 -203.942 303.035 -380.544 206.525 -183.433 228.777 32.4237 PRESSAVG: 2129800 2.39154 -9.77597 61.1546 -9.77604 -19.3038 60.866 61.1546 60.8659 2.75468 GPRESSAVG: 2129800 1.55761 -11.7359 62.2888 -8.91246 -17.531 58.9328 58.4 63.8463 1.55733 TIMING: 2129800 CPU: 6718.63, 0.00314808/step Wall: 6718.63, 0.00314808/step, 2.5099 hours remaining, 239.113281 MB of memory in use. ENERGY: 2129800 3962.1805 20561.5068 14508.0880 259.5137 -203288.9410 2485.7509 0.0000 0.0000 52192.9679 -109318.9332 299.9537 -161511.9011 -108959.0708 299.7775 -175.2307 -144.3721 762014.1874 -4.7192 -4.8054 PRESSURE: 2130000 -360.11 -66.4985 6.30246 -66.4983 171.163 2.99075 6.30353 2.99065 -110.858 GPRESSURE: 2130000 -342.78 14.4408 41.9752 -41.693 167.955 -36.2782 77.7442 -23.4991 -46.0383 PRESSAVG: 2130000 -10.6054 44.3536 -21.1159 44.3536 12.1434 53.5972 -21.1158 53.5972 1.84012 GPRESSAVG: 2130000 -9.79411 45.8103 -20.0947 43.3288 10.8847 53.6693 -19.5292 52.0189 2.46765 TIMING: 2130000 CPU: 6719.26, 0.00315834/step Wall: 6719.26, 0.00315834/step, 2.5179 hours remaining, 239.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2130000 4073.9458 20565.3152 14438.0011 253.2054 -202949.4926 2405.2966 0.0000 0.0000 51941.0355 -109272.6930 298.5058 -161213.7284 -108917.7218 299.9691 -99.9350 -73.6210 763338.9962 1.1261 1.1861 PRESSURE: 2130200 -142.973 91.0705 214.061 91.07 -776.988 -252.935 214.061 -252.935 303.063 GPRESSURE: 2130200 -133.16 127.785 139.693 130.772 -634.161 -348.908 245.242 -148.376 215.259 PRESSAVG: 2130200 -24.7531 -13.5069 0.648721 -13.5069 50.5241 -1.11056 0.648667 -1.11055 4.06071 GPRESSAVG: 2130200 -24.5652 -14.7674 0.281969 -10.2802 49.8883 -3.16696 0.0740373 0.294476 4.65466 TIMING: 2130200 CPU: 6719.9, 0.00317413/step Wall: 6719.9, 0.00317413/step, 2.53031 hours remaining, 239.113281 MB of memory in use. ENERGY: 2130200 3993.2018 20461.9444 14494.2671 235.5281 -202924.0407 2264.2473 0.0000 0.0000 52136.0142 -109338.8377 299.6264 -161474.8519 -108970.0638 299.4224 -205.6326 -184.0207 762287.5637 9.9439 9.9926 PRESSURE: 2130400 73.6111 -168.291 9.90155 -168.292 -51.7565 31.5198 9.90147 31.5196 422.66 GPRESSURE: 2130400 151.586 -176.387 31.9583 -179.463 45.1252 56.6835 -116.232 16.0062 363.392 PRESSAVG: 2130400 -12.1988 45.9315 -25.4231 45.9315 -9.99064 7.80141 -25.4232 7.80141 -9.68222 GPRESSAVG: 2130400 -12.5432 47.1064 -24.7109 44.1174 -8.79681 11.4605 -24.6366 6.16295 -10.7483 TIMING: 2130400 CPU: 6720.53, 0.00316591/step Wall: 6720.53, 0.00316591/step, 2.52358 hours remaining, 239.113281 MB of memory in use. ENERGY: 2130400 3930.9975 20497.0500 14455.8258 248.7870 -203498.2593 2693.3509 0.0000 0.0000 52145.3200 -109526.9282 299.6799 -161672.2482 -109152.7334 299.4203 148.1715 186.7011 762638.0859 -10.6239 -10.6961 PRESSURE: 2130600 -69.9349 -162.204 -64.0054 -162.204 -449.16 34.5591 -64.0057 34.5606 -310.238 GPRESSURE: 2130600 -17.5943 -121.101 1.85949 -120.215 -380.889 64.5226 0.282641 49.94 -347.56 PRESSAVG: 2130600 -62.9795 -54.0141 17.7948 -54.0142 49.011 24.4254 17.7947 24.4254 10.3383 GPRESSAVG: 2130600 -64.178 -55.1006 17.8565 -54.7964 48.9593 22.5754 16.8076 26.9922 11.2351 TIMING: 2130600 CPU: 6721.17, 0.00318128/step Wall: 6721.17, 0.00318128/step, 2.53566 hours remaining, 239.113281 MB of memory in use. ENERGY: 2130600 3885.2999 20533.3896 14417.7949 242.4130 -203264.7089 2314.5997 0.0000 0.0000 51904.1869 -109967.0249 298.2941 -161871.2118 -109604.3403 299.1075 -276.4443 -248.6812 760598.9835 -1.2101 -1.3278 PRESSURE: 2130800 92.5574 126.293 3.8651 126.294 -261.854 157.922 3.86459 157.922 -433.394 GPRESSURE: 2130800 71.5931 116.175 72.9963 178.32 -208.379 101.07 -63.9304 159.571 -393.372 PRESSAVG: 2130800 35.1993 -8.59523 12.6625 -8.59525 -38.3218 31.3866 12.6626 31.3866 5.05679 GPRESSAVG: 2130800 36.2238 -6.84879 12.5216 -8.86865 -40.017 31.5951 14.746 28.5806 5.36682 TIMING: 2130800 CPU: 6721.8, 0.0031757/step Wall: 6721.8, 0.0031757/step, 2.53103 hours remaining, 239.113281 MB of memory in use. ENERGY: 2130800 3982.8177 20444.3038 14493.0470 245.6924 -203627.8827 2503.0931 0.0000 0.0000 52005.9095 -109953.0192 298.8787 -161958.9287 -109581.2320 297.9853 -200.8968 -176.7191 761104.1595 0.6447 0.5245 PRESSURE: 2131000 -272.086 -104.931 -173.355 -104.931 -65.7321 -10.9167 -173.355 -10.9173 -74.4419 GPRESSURE: 2131000 -216.009 -60.141 -180.693 -155.589 -70.58 -11.8862 -115.744 119.611 -66.4809 PRESSAVG: 2131000 0.50682 9.15131 -16.5861 9.15138 40.852 38.068 -16.586 38.068 -5.64895 GPRESSAVG: 2131000 1.01862 7.15603 -17.6801 7.61436 41.1126 37.4422 -17.4903 40.7443 -6.84339 TIMING: 2131000 CPU: 6722.44, 0.00319336/step Wall: 6722.44, 0.00319336/step, 2.54493 hours remaining, 239.113281 MB of memory in use. ENERGY: 2131000 4033.5424 20602.0440 14396.8162 248.5653 -203325.4593 2488.1387 0.0000 0.0000 52237.7161 -109318.6366 300.2109 -161556.3527 -108956.9533 299.4868 -137.4199 -117.6901 761414.1022 11.9033 11.7626 PRESSURE: 2131200 348.587 86.8848 62.3078 86.8852 -40.6514 13.3927 62.3077 13.392 -371.816 GPRESSURE: 2131200 378.243 156.005 5.4263 127.377 -55.5582 -40.2576 121.657 106.284 -299.286 PRESSAVG: 2131200 3.98862 13.1744 26.7134 13.1743 -36.3329 3.56196 26.7135 3.562 -33.4736 GPRESSAVG: 2131200 4.40311 13.0362 27.4098 15.06 -36.918 5.87713 27.6275 1.04696 -33.0949 TIMING: 2131200 CPU: 6723.08, 0.00318997/step Wall: 6723.08, 0.00318997/step, 2.54205 hours remaining, 239.113281 MB of memory in use. ENERGY: 2131200 3991.0380 20576.5354 14445.6107 240.1938 -203706.3348 2828.0695 0.0000 0.0000 52103.0207 -109521.8667 299.4368 -161624.8874 -109163.5478 299.3894 -21.2934 7.7997 760647.2583 -21.9393 -21.8699 PRESSURE: 2131400 336.665 105.883 -46.7863 105.881 -83.2204 -55.3223 -46.7869 -55.3231 -136.883 GPRESSURE: 2131400 296.824 107.773 -33.6519 72.5371 -42.248 -125.792 -0.883134 -14.683 -53.0315 PRESSAVG: 2131400 -0.840919 1.29514 -20.253 1.29514 -21.5874 11.7802 -20.253 11.7802 5.79148 GPRESSAVG: 2131400 -2.08196 2.39426 -21.4667 -0.17135 -20.1245 10.1222 -19.7545 11.2323 5.5706 TIMING: 2131400 CPU: 6723.71, 0.00316007/step Wall: 6723.71, 0.00316007/step, 2.51805 hours remaining, 239.113281 MB of memory in use. ENERGY: 2131400 3923.9000 20458.6310 14388.5787 227.0156 -202936.0959 2421.1084 0.0000 0.0000 51958.1516 -109558.7106 298.6042 -161516.8622 -109196.6833 299.0141 38.8540 67.1816 762141.7761 -5.5456 -5.5453 PRESSURE: 2131600 94.136 -45.0845 134.205 -45.0848 -40.5377 -145.163 134.205 -145.164 476.986 GPRESSURE: 2131600 41.5505 20.1923 42.6714 -63.2909 97.1525 -125.731 154.213 -72.4418 468.438 PRESSAVG: 2131600 30.0611 55.4262 7.00941 55.4262 -29.3588 6.44167 7.00945 6.4417 16.7956 GPRESSAVG: 2131600 29.4217 55.773 6.76649 57.084 -28.5664 7.68024 5.60088 7.77369 16.7589 TIMING: 2131600 CPU: 6724.35, 0.00317483/step Wall: 6724.35, 0.00317483/step, 2.52964 hours remaining, 239.113281 MB of memory in use. ENERGY: 2131600 3967.5290 20562.9636 14517.4990 251.7681 -203418.7841 2720.4206 0.0000 0.0000 51993.7474 -109404.8564 298.8088 -161398.6038 -109047.3107 299.5195 176.8615 202.3803 760311.6386 5.8326 5.8714 PRESSURE: 2131800 157.778 -51.3914 -89.5736 -51.391 49.5839 -434.902 -89.5736 -434.901 106.4 GPRESSURE: 2131800 180.378 -46.0618 -128.405 -80.0419 123.738 -440.755 -58.1023 -218.189 103.311 PRESSAVG: 2131800 26.2152 -9.10806 42.3458 -9.10803 35.2837 -23.7963 42.3458 -23.7962 -9.64576 GPRESSAVG: 2131800 27.5274 -10.2343 41.9498 -11.1013 34.7154 -22.9669 43.3712 -26.1907 -9.88794 TIMING: 2131800 CPU: 6724.98, 0.00316304/step Wall: 6724.98, 0.00316304/step, 2.52007 hours remaining, 239.113281 MB of memory in use. ENERGY: 2131800 3959.5076 20564.7891 14463.9205 238.3504 -203471.9624 2799.5286 0.0000 0.0000 52154.2609 -109291.6052 299.7313 -161445.8661 -108935.2905 300.0107 104.5872 135.8090 761799.1985 17.2844 17.4516 PRESSURE: 2132000 162.981 -150.072 -103.833 -150.072 66.7139 5.74853 -103.833 5.74878 156.925 GPRESSURE: 2132000 85.739 -45.4738 -242.373 -51.0596 142.873 -92.8053 50.2107 -2.68399 243.834 PRESSAVG: 2132000 6.39993 -16.2103 2.40522 -16.2102 -54.2558 10.704 2.4052 10.704 7.42646 GPRESSAVG: 2132000 6.03875 -16.254 4.39545 -13.1104 -54.3472 8.58774 0.412447 14.2764 7.78765 TIMING: 2132000 CPU: 6725.61, 0.0031445/step Wall: 6725.61, 0.0031445/step, 2.50512 hours remaining, 239.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2132000 4002.9017 20561.4629 14459.6123 230.2047 -203108.8412 2422.2058 0.0000 0.0000 52262.4397 -109170.0142 300.3530 -161432.4539 -108798.3347 299.5382 128.8734 157.4819 760278.8256 -13.4765 -13.5069 PRESSURE: 2132200 -349.928 -104.021 63.6526 -104.021 -435.971 26.6682 63.6513 26.6681 -486.356 GPRESSURE: 2132200 -220.5 -208.315 130.77 -148.415 -459.248 -24.8679 59.8953 21.9931 -517.803 PRESSAVG: 2132200 78.7317 -19.8429 6.04828 -19.8429 -85.6994 -11.0947 6.04821 -11.0947 8.11807 GPRESSAVG: 2132200 80.5434 -18.6415 3.98679 -23.4706 -86.3574 -10.0305 6.78612 -13.9032 7.38954 TIMING: 2132200 CPU: 6726.24, 0.00315857/step Wall: 6726.24, 0.00315857/step, 2.51615 hours remaining, 239.113281 MB of memory in use. ENERGY: 2132200 4051.2781 20723.7818 14515.2100 251.0982 -203140.8046 2443.7182 0.0000 0.0000 51870.5044 -109285.2140 298.1005 -161155.7184 -108922.7412 299.8931 -424.0848 -399.1839 763322.1684 0.3835 0.5252 LDB: ============= START OF LOAD BALANCING ============== 6738.64 LDB: ============== END OF LOAD BALANCING =============== 6738.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6738.64 LDB: ============= START OF LOAD BALANCING ============== 6738.96 LDB: Largest compute 7044 load 0.035021 is 17.9% of average load 0.195941 LDB: Average compute 0.004403 is 2.2% of average load 0.195941 LDB: TIME 6738.96 LOAD: AVG 0.195941 MAX 0.216159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 6738.96 LOAD: AVG 0.195941 MAX 0.216159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: TIME 6738.96 LOAD: AVG 0.195941 MAX 0.216159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: ============== END OF LOAD BALANCING =============== 6738.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6738.97 PRESSURE: 2132400 -370.178 153.962 -7.82959 153.963 -138.684 -80.8959 -7.82948 -80.8954 -110.964 GPRESSURE: 2132400 -372.75 209.72 -10.1599 40.7136 -138.283 34.9827 -19.1058 -43.7427 -10.4464 PRESSAVG: 2132400 65.5305 -33.4561 -31.7645 -33.456 -47.6988 7.10586 -31.7645 7.10581 -6.23969 GPRESSAVG: 2132400 64.0846 -32.7279 -32.4856 -33.4354 -47.113 6.97387 -29.5624 7.78924 -5.251 TIMING: 2132400 CPU: 6726.88, 0.00321822/step Wall: 6726.88, 0.00321822/step, 2.56349 hours remaining, 238.921875 MB of memory in use. ENERGY: 2132400 4008.7621 20591.8322 14488.4159 244.2419 -203049.6658 2254.5660 0.0000 0.0000 51911.7238 -109550.1238 298.3374 -161461.8476 -109192.2188 299.7690 -206.6089 -173.8265 761636.1652 3.8640 3.9069 PRESSURE: 2132600 251.642 -125.981 69.3021 -125.98 -97.9043 54.8416 69.3011 54.841 -295.222 GPRESSURE: 2132600 206.12 -133.161 84.1688 -155.441 -7.13868 42.685 28.8386 -37.9718 -269.585 PRESSAVG: 2132600 25.0122 -29.9227 14.3339 -29.9229 -16.6495 22.8901 14.3338 22.89 21.8013 GPRESSAVG: 2132600 24.9541 -30.3821 13.9017 -28.2736 -15.6249 21.139 13.0619 23.4327 21.2331 TIMING: 2132600 CPU: 6727.52, 0.00318095/step Wall: 6727.52, 0.00318095/step, 2.53363 hours remaining, 239.125000 MB of memory in use. ENERGY: 2132600 3969.6393 20549.9742 14421.3261 264.9705 -203418.7468 2534.5552 0.0000 0.0000 52031.4158 -109646.8658 299.0253 -161678.2816 -109273.4031 298.7435 -47.1612 -23.5343 762570.5124 10.0547 10.1874 PRESSURE: 2132800 -244.751 -85.7178 -55.4711 -85.7169 -184.549 74.813 -55.4713 74.8124 274.783 GPRESSURE: 2132800 -254.635 -165.185 -85.0622 -147.818 -126.304 121.395 -135.066 84.7893 322.119 PRESSAVG: 2132800 23.1976 -58.9789 -52.5958 -58.9789 1.61379 35.8329 -52.5958 35.8329 14.8033 GPRESSAVG: 2132800 21.4285 -58.7652 -50.7627 -59.4695 1.88042 37.8014 -52.9699 37.4424 15.8167 TIMING: 2132800 CPU: 6728.16, 0.00318637/step Wall: 6728.16, 0.00318637/step, 2.53777 hours remaining, 239.125000 MB of memory in use. ENERGY: 2132800 4022.3970 20653.2802 14415.7157 256.5954 -203741.4349 2772.8792 0.0000 0.0000 51929.1323 -109691.4351 298.4374 -161620.5674 -109332.5253 299.0965 -51.5058 -19.6064 763104.3381 13.2049 13.0418 PRESSURE: 2133000 25.6516 37.3008 -147.426 37.3007 92.0003 123.88 -147.427 123.88 147.713 GPRESSURE: 2133000 45.1232 77.8809 -140.326 132.342 92.4975 59.8138 -36.1559 33.372 208.019 PRESSAVG: 2133000 -8.43063 -61.013 -8.38624 -61.013 19.1139 67.5871 -8.38625 67.5872 6.05034 GPRESSAVG: 2133000 -7.3381 -59.3492 -8.77949 -61.8212 17.8106 66.4371 -9.05708 64.5042 6.48523 TIMING: 2133000 CPU: 6728.79, 0.00316896/step Wall: 6728.79, 0.00316896/step, 2.52372 hours remaining, 239.125000 MB of memory in use. ENERGY: 2133000 3977.8272 20660.9518 14448.9634 230.5017 -204072.0544 2944.5086 0.0000 0.0000 51963.4731 -109845.8286 298.6348 -161809.3017 -109496.0712 298.6238 88.4549 115.2133 759032.0767 5.5779 5.6526 PRESSURE: 2133200 -163.569 133.757 -0.3433 133.758 -15.0776 284.818 -0.343264 284.818 283.536 GPRESSURE: 2133200 -82.2786 93.4489 64.1938 177.235 35.9187 245.416 -2.98878 167.037 244.097 PRESSAVG: 2133200 9.90194 -34.3614 7.47974 -34.3614 9.64583 35.2396 7.47976 35.2397 18.3294 GPRESSAVG: 2133200 10.8709 -36.5776 7.3038 -33.3367 9.1621 35.8852 9.77263 34.6022 18.1242 TIMING: 2133200 CPU: 6729.43, 0.00316832/step Wall: 6729.43, 0.00316832/step, 2.52304 hours remaining, 239.125000 MB of memory in use. ENERGY: 2133200 3974.2376 20635.7943 14443.4955 261.7233 -203418.3227 2298.1622 0.0000 0.0000 51855.8800 -109949.0299 298.0165 -161804.9099 -109585.9655 298.9331 34.9633 65.9125 761634.7101 12.6257 12.7191 PRESSURE: 2133400 -119.52 -206.465 -2.30196 -206.464 -276.867 -66.8829 -2.30198 -66.8825 -547.657 GPRESSURE: 2133400 -203.6 -228.92 97.8117 -269.415 -217.748 -116.772 -58.381 -173.409 -415.527 PRESSAVG: 2133400 -2.47704 -43.5595 11.5149 -43.5595 23.1919 12.3279 11.5149 12.3279 -2.3729 GPRESSAVG: 2133400 -1.61661 -43.0253 12.7696 -43.2456 24.1011 12.8193 8.36062 14.2882 -3.88752 TIMING: 2133400 CPU: 6730.06, 0.00315308/step Wall: 6730.06, 0.00315308/step, 2.51072 hours remaining, 239.125000 MB of memory in use. ENERGY: 2133400 4077.3796 20462.8066 14472.2081 245.8357 -203598.4874 2628.7281 0.0000 0.0000 51920.1222 -109791.4071 298.3857 -161711.5293 -109435.4005 298.3146 -314.6815 -278.9583 760857.4788 6.1140 6.1990 PRESSURE: 2133600 20.1771 23.2789 64.204 23.2794 -502.815 -123.63 64.204 -123.63 -97.8123 GPRESSURE: 2133600 -3.30306 139.301 95.6851 -7.98954 -446.832 -79.1698 169.189 -79.2618 -62.484 PRESSAVG: 2133600 -29.2817 -5.75161 21.5145 -5.75158 9.65254 21.6903 21.5144 21.6903 -8.86879 GPRESSAVG: 2133600 -31.4248 -5.70527 19.9257 -5.68209 9.8153 20.3801 24.8794 20.8132 -7.08714 TIMING: 2133600 CPU: 6730.68, 0.00314112/step Wall: 6730.68, 0.00314112/step, 2.50103 hours remaining, 239.125000 MB of memory in use. ENERGY: 2133600 3954.5513 20726.8418 14524.4993 255.5886 -203896.7626 2546.1155 0.0000 0.0000 52048.2419 -109840.9243 299.1220 -161889.1662 -109478.4357 298.9206 -193.4833 -170.8730 760661.7795 -9.4993 -9.5656 PRESSURE: 2133800 194.678 -243.349 -214.817 -243.349 252.373 -61.3214 -214.818 -61.3219 355.922 GPRESSURE: 2133800 303.599 -257.269 -149.767 -91.097 271.264 -125.286 -126.857 -50.4592 318.839 PRESSAVG: 2133800 24.8516 3.96483 12.9208 3.9648 -4.83647 36.105 12.9207 36.105 7.76349 GPRESSAVG: 2133800 24.2308 3.95406 13.5137 4.38187 -3.34033 37.0927 11.4365 36.1119 6.72054 TIMING: 2133800 CPU: 6731.32, 0.00316138/step Wall: 6731.32, 0.00316138/step, 2.51698 hours remaining, 239.125000 MB of memory in use. ENERGY: 2133800 3972.4930 20655.4234 14444.2533 248.7837 -203899.5621 2772.6965 0.0000 0.0000 51882.2146 -109923.6976 298.1678 -161805.9123 -109568.0159 298.4132 267.6576 297.9003 759027.5906 9.2595 9.2037 PRESSURE: 2134000 -239.75 29.2898 154.936 29.2903 -232.894 -15.1105 154.935 -15.1111 243.804 GPRESSURE: 2134000 -155.824 44.9807 73.0117 -19.4711 -203.737 -42.9738 46.7935 -140.272 222.34 PRESSAVG: 2134000 -50.9799 36.4453 -18.2918 36.4453 40.6355 41.2498 -18.2918 41.2497 -9.77011 GPRESSAVG: 2134000 -49.8659 36.3823 -19.4745 36.8379 40.322 41.1559 -18.3197 41.9004 -10.5565 TIMING: 2134000 CPU: 6731.95, 0.00314256/step Wall: 6731.95, 0.00314256/step, 2.50183 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2134000 4019.2699 20763.4713 14471.6551 249.8185 -204182.8197 2975.9299 0.0000 0.0000 51883.7213 -109818.9536 298.1765 -161702.6749 -109461.8404 298.6213 -76.2803 -45.7404 761421.2956 -6.7048 -6.7001 PRESSURE: 2134200 -22.2477 -102.411 103.506 -102.41 -90.1871 -157.311 103.506 -157.311 -57.2732 GPRESSURE: 2134200 18.0216 -76.7137 117.793 -25.615 -97.7727 -169.339 187.274 -187.264 -28.0892 PRESSAVG: 2134200 -15.2724 10.6469 -7.50779 10.6469 -4.81119 -13.0371 -7.5078 -13.0372 -6.10004 GPRESSAVG: 2134200 -16.1239 10.8691 -5.28991 10.7048 -4.84916 -14.4966 -7.89387 -11.8457 -5.86551 TIMING: 2134200 CPU: 6732.58, 0.00315301/step Wall: 6732.58, 0.00315301/step, 2.50997 hours remaining, 239.125000 MB of memory in use. ENERGY: 2134200 3974.6994 20569.2059 14515.7009 256.7497 -203789.8556 2708.5365 0.0000 0.0000 52004.3287 -109760.6345 298.8696 -161764.9632 -109394.5174 298.6388 -56.5693 -35.9468 760786.6399 -8.7279 -8.9462 PRESSURE: 2134400 -19.376 -78.8499 -100.25 -78.8498 40.2864 -159.294 -100.251 -159.295 69.8583 GPRESSURE: 2134400 1.54734 -132.481 -55.4439 -69.574 114.659 -174.091 -161.422 -67.4786 88.3563 PRESSAVG: 2134400 44.0873 -24.2196 -59.0214 -24.2196 -17.5822 35.4655 -59.0214 35.4654 -12.7116 GPRESSAVG: 2134400 45.3211 -25.2229 -61.7051 -24.2554 -18.8113 36.9552 -58.8789 32.9712 -12.5813 TIMING: 2134400 CPU: 6733.21, 0.00315376/step Wall: 6733.21, 0.00315375/step, 2.51039 hours remaining, 239.125000 MB of memory in use. ENERGY: 2134400 3996.8650 20514.2223 14379.8124 251.2671 -203838.4233 2825.3724 0.0000 0.0000 52130.4799 -109740.4042 299.5946 -161870.8842 -109374.5798 298.8066 30.2562 68.1875 760058.5132 4.5978 4.6428 PRESSURE: 2134600 200.743 -377.9 -23.3226 -377.9 72.5436 -35.611 -23.3227 -35.6114 241.462 GPRESSURE: 2134600 201.311 -279.511 -8.82669 -372.14 125.971 -140.758 23.7563 73.2922 269.092 PRESSAVG: 2134600 29.3659 -32.1739 0.525887 -32.174 25.6915 31.4924 0.525841 31.4924 24.2602 GPRESSAVG: 2134600 29.9437 -29.4157 2.07422 -33.8859 26.4678 31.9746 0.491332 31.9311 24.1995 TIMING: 2134600 CPU: 6733.84, 0.00314418/step Wall: 6733.84, 0.00314418/step, 2.50259 hours remaining, 239.125000 MB of memory in use. ENERGY: 2134600 3955.6354 20632.5159 14466.4189 255.0009 -203467.3241 2594.1145 0.0000 0.0000 51620.6407 -109942.9978 296.6645 -161563.6385 -109573.3050 298.4840 171.5829 198.7914 758818.2549 26.4392 26.8704 PRESSURE: 2134800 -74.5941 -228.446 365.484 -228.447 74.8068 -295.039 365.484 -295.039 340.604 GPRESSURE: 2134800 8.89366 -228.356 317.712 -373.294 81.5148 -308.177 307.983 -318.381 334.726 PRESSAVG: 2134800 18.5513 -84.172 15.7254 -84.172 -29.7212 -20.138 15.7254 -20.138 -11.4225 GPRESSAVG: 2134800 17.7624 -84.594 14.748 -84.8818 -29.9226 -21.1947 17.6612 -17.5415 -11.2488 TIMING: 2134800 CPU: 6734.47, 0.0031612/step Wall: 6734.47, 0.0031612/step, 2.51597 hours remaining, 239.125000 MB of memory in use. ENERGY: 2134800 3967.4250 20653.6548 14434.3081 251.0238 -203835.1172 2718.7835 0.0000 0.0000 52025.4009 -109784.5211 298.9907 -161809.9220 -109417.9705 298.6030 113.6055 141.7114 758922.6041 -7.5308 -7.8030 PRESSURE: 2135000 -33.3237 -238.533 -125.667 -238.533 -52.7554 155.608 -125.667 155.607 228.189 GPRESSURE: 2135000 -11.9247 -248.217 -112.317 -113.455 -32.9314 149.2 -126.454 110.703 276.081 PRESSAVG: 2135000 2.95372 -83.2756 27.9343 -83.2756 -41.6406 1.19682 27.9343 1.1969 10.0319 GPRESSAVG: 2135000 2.31812 -85.8095 28.4321 -82.4992 -41.1236 1.9866 26.3141 0.809435 9.97403 TIMING: 2135000 CPU: 6735.1, 0.00316958/step Wall: 6735.1, 0.00316958/step, 2.52246 hours remaining, 239.125000 MB of memory in use. ENERGY: 2135000 4000.9531 20608.9166 14480.8321 248.3467 -203667.9551 2722.8276 0.0000 0.0000 51887.8399 -109718.2391 298.2001 -161606.0790 -109356.0666 298.6956 47.3700 77.0749 760366.4776 -9.5517 -9.6105 PRESSURE: 2135200 -436.443 -183.075 149.15 -183.075 -123.007 36.8267 149.149 36.827 -348.137 GPRESSURE: 2135200 -437.807 -202.09 232.596 -70.2679 -87.2889 47.2316 153.166 92.2203 -293.504 PRESSAVG: 2135200 -6.23961 -73.0756 -14.2982 -73.0755 -9.04018 -12.583 -14.2982 -12.583 11.464 GPRESSAVG: 2135200 -6.22299 -71.4499 -14.6014 -73.1752 -8.84518 -13.4763 -15.6449 -13.7994 11.5673 TIMING: 2135200 CPU: 6735.73, 0.00314407/step Wall: 6735.73, 0.00314407/step, 2.50198 hours remaining, 239.125000 MB of memory in use. ENERGY: 2135200 3988.8828 20598.6161 14469.7654 234.9510 -203080.5550 2156.8672 0.0000 0.0000 51911.3725 -109720.1001 298.3354 -161631.4726 -109365.9689 298.8503 -302.5290 -272.8666 761809.1214 -1.2719 -1.1670 PRESSURE: 2135400 146.875 -47.6928 -38.8603 -47.6942 -39.8026 -182.854 -38.8611 -182.854 226.951 GPRESSURE: 2135400 112.749 -27.126 -40.9945 -67.3312 83.6755 -106.349 -37.5481 -121.032 208.848 PRESSAVG: 2135400 19.0604 -75.565 -5.46925 -75.5651 -12.524 -18.9498 -5.46925 -18.9498 -22.0293 GPRESSAVG: 2135400 18.2785 -75.5108 -4.57348 -76.119 -11.9279 -18.6466 -1.98716 -19.1995 -22.0238 TIMING: 2135400 CPU: 6736.36, 0.00316333/step Wall: 6736.36, 0.00316333/step, 2.51713 hours remaining, 239.125000 MB of memory in use. ENERGY: 2135400 3983.2072 20561.4887 14469.1533 240.7898 -203531.6103 2554.2055 0.0000 0.0000 52018.3868 -109704.3789 298.9504 -161722.7657 -109339.1273 298.8582 111.3412 135.0910 760940.6811 -5.1643 -5.2244 PRESSURE: 2135600 -153.649 84.6977 -14.876 84.698 -354.051 -115.9 -14.8759 -115.901 -63.9477 GPRESSURE: 2135600 -58.3407 39.7221 -18.6244 150.344 -416.456 -66.057 -53.6149 -161.965 -20.184 PRESSAVG: 2135600 -43.569 -34.0147 -2.87216 -34.0147 41.6018 -38.9351 -2.87216 -38.9351 0.973776 GPRESSAVG: 2135600 -41.9272 -33.8955 -3.92681 -34.4702 40.829 -37.3353 -5.15586 -39.026 -0.142726 TIMING: 2135600 CPU: 6736.99, 0.00315399/step Wall: 6736.99, 0.00315399/step, 2.50953 hours remaining, 239.125000 MB of memory in use. ENERGY: 2135600 4027.6636 20505.8588 14508.8942 247.3703 -203184.1553 2373.8547 0.0000 0.0000 51896.0404 -109624.4732 298.2473 -161520.5136 -109270.4717 298.5381 -190.5491 -164.9937 762021.2405 -0.3311 -0.4136 PRESSURE: 2135800 -82.5639 -50.4714 200.087 -50.4713 -300.365 -29.7482 200.087 -29.7487 56.6407 GPRESSURE: 2135800 -89.8461 85.8598 179.306 -50.7759 -171.33 -128.068 4.37087 -6.80608 -6.32016 PRESSAVG: 2135800 10.9988 -3.3228 21.0895 -3.32282 4.23992 -28.8554 21.0895 -28.8553 -12.1891 GPRESSAVG: 2135800 11.0134 -3.09083 22.0619 -2.34418 5.075 -30.5647 19.538 -28.9381 -12.5182 TIMING: 2135800 CPU: 6737.63, 0.00316527/step Wall: 6737.63, 0.00316527/step, 2.51833 hours remaining, 239.125000 MB of memory in use. ENERGY: 2135800 4010.6054 20600.8235 14480.6091 252.3741 -202833.6408 2217.2654 0.0000 0.0000 51655.5146 -109616.4487 296.8650 -161271.9633 -109261.3378 298.6329 -108.7626 -89.1653 762802.5222 1.0166 1.1901 PRESSURE: 2136000 52.7151 101.022 51.3187 101.021 279.263 -105.24 51.3189 -105.24 88.2901 GPRESSURE: 2136000 61.1183 41.8533 120.796 20.0734 318.206 -131.349 152.297 -34.4499 116.709 PRESSAVG: 2136000 44.6618 2.95672 -49.3508 2.95668 -40.0637 -30.4025 -49.3507 -30.4024 -10.347 GPRESSAVG: 2136000 44.4614 2.12748 -48.8998 3.92764 -40.1208 -29.2925 -46.703 -31.219 -9.58482 TIMING: 2136000 CPU: 6738.26, 0.00318433/step Wall: 6738.26, 0.00318433/step, 2.53331 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2136000 3994.4143 20467.9533 14464.1026 269.2827 -203615.7435 2666.7386 0.0000 0.0000 51953.9108 -109799.3411 298.5798 -161753.2520 -109427.6774 298.4174 140.0893 165.3442 760617.3333 -1.9163 -1.7481 PRESSURE: 2136200 205.764 -293.02 -82.0074 -293.02 -93.8085 369.888 -82.0083 369.888 -115.018 GPRESSURE: 2136200 245.296 -248.269 -50.7296 -251.687 -21.6581 290.917 29.2639 366.973 -148.187 PRESSAVG: 2136200 -25.1608 15.112 -41.2569 15.112 -9.76377 -16.3089 -41.2569 -16.3089 -9.51332 GPRESSAVG: 2136200 -24.7531 16.0289 -40.9524 14.1125 -11.2904 -17.0321 -42.0171 -14.9788 -8.64849 TIMING: 2136200 CPU: 6738.9, 0.00316826/step Wall: 6738.9, 0.00316826/step, 2.52035 hours remaining, 239.125000 MB of memory in use. ENERGY: 2136200 3887.8114 20573.0396 14342.2025 244.2926 -202987.6344 2164.6366 0.0000 0.0000 52035.4715 -109740.1803 299.0486 -161775.6518 -109381.3151 298.2417 -1.0210 25.1502 761868.3664 -14.8126 -14.8973 LDB: ============= START OF LOAD BALANCING ============== 6751.3 LDB: ============== END OF LOAD BALANCING =============== 6751.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.3 LDB: ============= START OF LOAD BALANCING ============== 6751.62 LDB: Largest compute 7044 load 0.036291 is 18.5% of average load 0.195882 LDB: Average compute 0.004411 is 2.3% of average load 0.195882 LDB: TIME 6751.62 LOAD: AVG 0.195882 MAX 0.221837 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.352 MB LDB: TIME 6751.62 LOAD: AVG 0.195882 MAX 0.221837 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 6751.62 LOAD: AVG 0.195882 MAX 0.218543 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 6751.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.63 PRESSURE: 2136400 28.4906 -52.4678 135.341 -52.4672 -87.7996 42.9723 135.342 42.9721 379.154 GPRESSURE: 2136400 34.4768 -59.9575 132.291 -122.508 -41.2985 71.6993 118.483 -29.0832 423.456 PRESSAVG: 2136400 39.3397 -31.1225 -8.34622 -31.1225 -35.6467 -43.3441 -8.34626 -43.3442 6.21582 GPRESSAVG: 2136400 38.3446 -31.5354 -8.8203 -29.9717 -34.85 -42.8541 -7.69055 -41.7756 6.46706 TIMING: 2136400 CPU: 6739.55, 0.00323789/step Wall: 6739.55, 0.00323789/step, 2.57556 hours remaining, 239.386719 MB of memory in use. ENERGY: 2136400 3883.8026 20565.3303 14427.4206 258.7660 -203665.5748 2800.2332 0.0000 0.0000 52055.7155 -109674.3067 299.1649 -161730.0221 -109306.0149 298.3325 106.6151 138.8782 760903.2679 3.3029 3.3206 PRESSURE: 2136600 192.083 42.3225 14.722 42.3222 405.104 -122.609 14.7218 -122.608 21.183 GPRESSURE: 2136600 302.791 -106.24 -61.7869 47.6462 367.106 -108.689 -2.12269 -183.66 52.2063 PRESSAVG: 2136600 41.3751 -13.276 -49.3636 -13.276 -30.4761 12.202 -49.3637 12.202 -2.56909 GPRESSAVG: 2136600 41.0613 -13.426 -49.0235 -14.5347 -29.5942 13.388 -50.5925 10.3596 -3.27228 TIMING: 2136600 CPU: 6740.17, 0.00313963/step Wall: 6740.17, 0.00313963/step, 2.49723 hours remaining, 239.386719 MB of memory in use. ENERGY: 2136600 3940.8451 20481.3041 14404.9101 231.1893 -203465.5224 2520.8263 0.0000 0.0000 52097.0819 -109789.3655 299.4026 -161886.4474 -109421.4771 298.7515 206.1232 240.7013 758975.9081 2.7766 2.7316 PRESSURE: 2136800 -153.087 -123.144 -23.2097 -123.145 -129.323 96.8324 -23.2094 96.8322 188.057 GPRESSURE: 2136800 -37.1485 -44.0094 -49.965 -147.692 -173.855 57.8978 125.675 124.275 195.123 PRESSAVG: 2136800 62.9253 -3.62635 -3.42602 -3.62634 -39.4992 21.5698 -3.42597 21.5698 -3.63512 GPRESSAVG: 2136800 64.9292 -2.27484 -4.92628 -4.84625 -40.4857 20.8264 -2.29261 21.8032 -4.12256 TIMING: 2136800 CPU: 6740.81, 0.00317949/step Wall: 6740.81, 0.00317949/step, 2.52876 hours remaining, 239.386719 MB of memory in use. ENERGY: 2136800 3963.6699 20331.4869 14476.6415 249.2040 -203339.9563 2531.0038 0.0000 0.0000 52037.6383 -109750.3119 299.0610 -161787.9503 -109388.3618 298.2599 -31.4509 -5.2934 760567.5687 6.5970 6.7736 PRESSURE: 2137000 -12.0015 120.54 -30.6466 120.54 20.85 -290.182 -30.6464 -290.182 -207.409 GPRESSURE: 2137000 -3.65411 111.851 -1.26766 45.7301 60.7066 -284.248 14.7785 -194.111 -163.735 PRESSAVG: 2137000 62.3223 -3.13397 -9.43128 -3.13404 -13.9403 -36.0093 -9.43134 -36.0093 19.4405 GPRESSAVG: 2137000 61.7063 -4.25067 -8.29847 -3.32977 -13.7519 -36.1709 -11.6728 -36.0272 20.3316 TIMING: 2137000 CPU: 6741.44, 0.00317374/step Wall: 6741.44, 0.00317374/step, 2.52401 hours remaining, 239.386719 MB of memory in use. ENERGY: 2137000 4003.1374 20454.1017 14421.8756 242.6147 -203091.7061 2342.0615 0.0000 0.0000 51991.9754 -109635.9398 298.7986 -161627.9152 -109270.8549 298.7119 -66.1870 -35.5608 759632.7448 22.6075 22.7620 PRESSURE: 2137200 174.653 -184.14 -64.7183 -184.14 19.2296 259.622 -64.7189 259.622 35.914 GPRESSURE: 2137200 266.179 -187.493 43.4013 -177.659 -45.9533 259.404 71.2863 184.424 106.288 PRESSAVG: 2137200 59.2076 -32.1432 20.2564 -32.1433 -38.3397 13.5519 20.2565 13.5518 -8.30645 GPRESSAVG: 2137200 58.4181 -31.7027 20.2596 -31.4614 -37.5816 13.163 22.8045 13.8592 -8.49776 TIMING: 2137200 CPU: 6742.08, 0.00317663/step Wall: 6742.08, 0.00317663/step, 2.52613 hours remaining, 239.386719 MB of memory in use. ENERGY: 2137200 3948.4614 20636.2036 14426.8859 238.7870 -203425.0934 2721.4942 0.0000 0.0000 51809.4772 -109643.7842 297.7498 -161453.2614 -109287.3995 298.5157 76.5987 108.8381 759615.4782 4.1872 4.1129 PRESSURE: 2137400 -48.9788 98.445 -170.559 98.4452 -87.7946 58.2825 -170.559 58.2822 113.825 GPRESSURE: 2137400 7.49637 87.1275 -170.666 71.7143 -124.173 -30.8209 -114.6 18.1432 168.863 PRESSAVG: 2137400 31.8331 -19.8891 -28.5219 -19.8891 -5.73719 -20.9831 -28.522 -20.9831 7.1675 GPRESSAVG: 2137400 33.2399 -20.692 -27.5888 -18.4386 -7.61071 -20.3167 -30.0572 -20.9802 8.46418 TIMING: 2137400 CPU: 6742.72, 0.00319425/step Wall: 6742.72, 0.00319425/step, 2.53996 hours remaining, 239.386719 MB of memory in use. ENERGY: 2137400 3930.4637 20483.5487 14491.6772 228.5789 -203425.2026 2615.3693 0.0000 0.0000 51838.9950 -109836.5698 297.9194 -161675.5648 -109472.2316 298.3949 -7.6494 17.3954 762526.8043 11.0878 11.3645 PRESSURE: 2137600 -317.507 -28.391 -58.501 -28.3916 -438.068 240.835 -58.5001 240.834 165.795 GPRESSURE: 2137600 -340.621 -237.615 -23.6128 -55.3007 -345.529 235.906 -243.657 275.562 167.96 PRESSAVG: 2137600 29.9655 32.3837 -77.1235 32.3838 -44.8614 16.9749 -77.1235 16.9749 11.6473 GPRESSAVG: 2137600 29.1491 32.1473 -76.997 31.2358 -43.1045 16.2952 -77.152 16.6198 10.9405 TIMING: 2137600 CPU: 6743.36, 0.00318838/step Wall: 6743.36, 0.00318838/step, 2.53511 hours remaining, 239.386719 MB of memory in use. ENERGY: 2137600 3973.5448 20640.2789 14524.0170 255.4919 -203430.3606 2616.6503 0.0000 0.0000 51624.9340 -109795.4437 296.6892 -161420.3777 -109436.4949 298.0111 -196.5933 -172.7299 761362.4935 -1.0829 -1.0050 PRESSURE: 2137800 -129.251 -119.151 115.897 -119.15 -48.3303 -104.795 115.897 -104.796 -75.5561 GPRESSURE: 2137800 -99.3951 -107.315 54.9561 -173.989 -15.3254 -41.1708 94.3505 -51.949 -76.9462 PRESSAVG: 2137800 19.9125 29.0259 -43.452 29.0259 -30.4778 70.7111 -43.4521 70.7111 3.55596 GPRESSAVG: 2137800 20.3542 31.8332 -44.6251 28.0925 -30.8079 70.8372 -45.0911 70.7586 3.32939 TIMING: 2137800 CPU: 6744, 0.00320729/step Wall: 6744, 0.00320729/step, 2.54997 hours remaining, 239.386719 MB of memory in use. ENERGY: 2137800 4054.5232 20473.7200 14396.6459 245.8035 -204118.5430 2743.6132 0.0000 0.0000 52177.6689 -110026.5683 299.8658 -162204.2372 -109657.8232 298.3961 -84.3791 -63.8889 758775.6212 -2.3365 -2.3748 PRESSURE: 2138000 56.3054 -20.5016 77.4745 -20.5018 276.074 46.7295 77.4751 46.7297 429.527 GPRESSURE: 2138000 194.277 -37.9588 27.0051 17.979 253.572 -6.52278 -112.209 136.032 410.125 PRESSAVG: 2138000 -8.72309 15.576 -19.7849 15.576 -22.786 -21.4337 -19.785 -21.4337 -4.90593 GPRESSAVG: 2138000 -7.60282 15.4145 -20.6418 15.29 -23.321 -19.5202 -18.7115 -20.0558 -5.62696 TIMING: 2138000 CPU: 6744.63, 0.00317139/step Wall: 6744.63, 0.00317139/step, 2.52125 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2138000 3975.3043 20631.6426 14486.0689 232.8155 -203869.0698 2663.3481 0.0000 0.0000 51961.6418 -109918.2486 298.6243 -161879.8905 -109561.1049 298.5132 253.9686 285.9915 759759.7357 -12.1383 -12.1836 PRESSURE: 2138200 -126.813 222.488 -136.366 222.487 -73.3126 -4.86363 -136.366 -4.86262 193.139 GPRESSURE: 2138200 -129.751 275.574 -91.759 158.511 -5.62187 36.6251 -90.9523 -71.8953 206.611 PRESSAVG: 2138200 -51.3272 58.0971 7.80901 58.0971 16.0223 -15.2968 7.80902 -15.2968 26.1877 GPRESSAVG: 2138200 -52.011 54.7366 7.92359 59.3118 16.0125 -16.3757 7.90875 -16.4966 27.393 TIMING: 2138200 CPU: 6745.27, 0.00319349/step Wall: 6745.27, 0.00319349/step, 2.53865 hours remaining, 239.386719 MB of memory in use. ENERGY: 2138200 4028.6514 20531.9437 14365.9404 236.8498 -203687.9723 2649.2271 0.0000 0.0000 52023.1539 -109852.2060 298.9778 -161875.3599 -109489.3955 298.3084 -2.3287 23.7459 761831.5588 -3.0391 -2.8685 PRESSURE: 2138400 -35.9821 111.724 76.4859 111.723 -214.214 -0.330783 76.4851 -0.330057 -261.725 GPRESSURE: 2138400 -1.83382 48.303 -21.6957 26.3467 -110.963 72.7202 78.8466 -66.0009 -302.449 PRESSAVG: 2138400 1.0799 39.7765 -33.8755 39.7764 8.01035 -74.2259 -33.8755 -74.2259 18.7558 GPRESSAVG: 2138400 0.904449 39.1424 -33.8383 39.9208 9.0233 -74.4916 -32.9568 -72.5521 17.4148 TIMING: 2138400 CPU: 6745.91, 0.00318748/step Wall: 6745.91, 0.00318748/step, 2.53369 hours remaining, 239.386719 MB of memory in use. ENERGY: 2138400 3970.7266 20715.5937 14481.4189 252.7114 -203388.8689 2448.8136 0.0000 0.0000 51797.2134 -109722.3915 297.6793 -161519.6049 -109366.0907 298.2624 -170.6404 -138.4152 761690.9361 9.2820 9.1142 PRESSURE: 2138600 -53.4282 44.7273 -88.9664 44.7264 -94.8507 23.6883 -88.9662 23.6882 -75.3101 GPRESSURE: 2138600 -6.12855 -33.6819 -69.4868 2.94273 -138.426 87.0881 -139.715 31.7352 4.90818 PRESSAVG: 2138600 27.4819 18.4052 -71.9919 18.4052 -13.9229 -11.3805 -71.9919 -11.3805 -33.114 GPRESSAVG: 2138600 27.1764 18.2297 -71.9411 19.9974 -13.9904 -11.479 -70.5278 -13.1501 -32.6678 TIMING: 2138600 CPU: 6746.54, 0.00317341/step Wall: 6746.54, 0.00317341/step, 2.52233 hours remaining, 239.386719 MB of memory in use. ENERGY: 2138600 3989.8998 20565.7381 14532.3076 260.3896 -203690.9385 2710.6526 0.0000 0.0000 52079.6593 -109552.2914 299.3025 -161631.9507 -109187.3984 299.2890 -74.5297 -46.5487 761338.9704 -6.5183 -6.4939 PRESSURE: 2138800 -27.4306 -194.36 -98.7574 -194.36 202.06 -41.4976 -98.7576 -41.498 79.1443 GPRESSURE: 2138800 37.9142 -204.099 -92.4992 -277.665 236.176 -73.2759 -53.4416 33.5615 64.8976 PRESSAVG: 2138800 7.89179 18.2659 -52.1143 18.266 -7.47432 5.69243 -52.1143 5.69252 36.9206 GPRESSAVG: 2138800 9.40062 19.0263 -51.6037 17.1846 -7.65357 5.67575 -54.32 7.97322 35.4293 TIMING: 2138800 CPU: 6747.18, 0.00320051/step Wall: 6747.18, 0.00320051/step, 2.5437 hours remaining, 239.386719 MB of memory in use. ENERGY: 2138800 3996.0415 20520.7402 14500.8057 248.4953 -203574.5021 2732.9011 0.0000 0.0000 51987.4266 -109588.0916 298.7725 -161575.5183 -109233.0074 298.9953 84.5913 112.9960 761036.4704 12.4460 12.3921 PRESSURE: 2139000 105.149 74.9613 72.5748 74.9605 86.2381 16.8268 72.5743 16.8257 256.234 GPRESSURE: 2139000 67.438 95.2744 36.7854 300.7 161.851 28.0332 99.2573 51.8693 270.438 PRESSAVG: 2139000 27.4951 20.8405 -67.831 20.8405 -21.8917 12.7561 -67.831 12.7561 2.77301 GPRESSAVG: 2139000 25.295 21.5272 -67.1047 22.4601 -21.6907 13.7663 -67.0033 12.0653 4.14882 TIMING: 2139000 CPU: 6747.82, 0.0031905/step Wall: 6747.82, 0.0031905/step, 2.53556 hours remaining, 239.386719 MB of memory in use. ENERGY: 2139000 3924.6782 20571.4244 14451.3328 248.7260 -203585.9271 2757.1333 0.0000 0.0000 52261.1746 -109371.4578 300.3457 -161632.6323 -109004.2668 299.4125 149.2071 166.5755 760327.3822 2.7921 2.5844 PRESSURE: 2139200 -100.73 68.6326 25.5228 68.6321 -92.1379 -18.0978 25.5225 -18.0978 180.494 GPRESSURE: 2139200 -43.1461 155.272 -39.9504 -29.9714 -41.2416 -14.3555 -67.2049 -17.5627 157.524 PRESSAVG: 2139200 36.5098 22.1317 -34.6897 22.1317 -7.43623 -43.5897 -34.6898 -43.5897 -0.597446 GPRESSAVG: 2139200 36.4259 21.5002 -35.1077 21.7662 -5.99304 -44.3941 -35.9505 -44.1066 -2.04923 TIMING: 2139200 CPU: 6748.45, 0.00317223/step Wall: 6748.45, 0.00317223/step, 2.52087 hours remaining, 239.386719 MB of memory in use. ENERGY: 2139200 4077.0085 20500.3526 14451.9384 240.3923 -203674.1195 2710.8044 0.0000 0.0000 52072.0349 -109621.5884 299.2587 -161693.6233 -109249.9328 299.2395 -4.1246 24.3789 759562.2933 9.4920 9.4612 PRESSURE: 2139400 -53.0286 -226.248 -216.713 -226.248 -221.367 19.4758 -216.713 19.4756 -118.657 GPRESSURE: 2139400 -46.3202 -194.706 -265.295 -172.441 -159.309 -18.3144 -29.8015 86.6542 -90.3242 PRESSAVG: 2139400 58.4198 -25.5158 -13.5873 -25.5158 -42.4954 -41.1656 -13.5873 -41.1656 -10.1032 GPRESSAVG: 2139400 58.3747 -24.2629 -13.2394 -25.9671 -43.2417 -41.0037 -14.1717 -41.9599 -9.22837 TIMING: 2139400 CPU: 6749.09, 0.00316701/step Wall: 6749.09, 0.00316701/step, 2.51654 hours remaining, 239.386719 MB of memory in use. ENERGY: 2139400 3977.7518 20534.8748 14500.6944 234.2058 -203233.2537 2282.5218 0.0000 0.0000 52105.2956 -109597.9095 299.4499 -161703.2051 -109235.0151 298.7173 -131.0175 -98.6511 761480.8950 1.9404 1.9682 PRESSURE: 2139600 165.586 190.093 -81.0875 190.093 -98.0799 70.9744 -81.0873 70.9743 -157.191 GPRESSURE: 2139600 185.445 12.3932 -86.8354 186.41 -41.9026 58.1829 -178.363 108.867 -143.98 PRESSAVG: 2139600 25.9065 20.4575 -18.7671 20.4575 -39.5325 7.05189 -18.767 7.05193 25.3811 GPRESSAVG: 2139600 27.0586 20.6075 -19.7711 20.2063 -39.9159 5.74148 -17.903 7.8025 24.9167 TIMING: 2139600 CPU: 6749.72, 0.00317352/step Wall: 6749.72, 0.00317352/step, 2.52154 hours remaining, 239.386719 MB of memory in use. ENERGY: 2139600 3913.2441 20605.8857 14548.3571 243.7763 -203353.3698 2422.3095 0.0000 0.0000 52136.7897 -109483.0074 299.6308 -161619.7971 -109127.7246 299.4535 -29.8948 -0.1461 760641.1663 3.9184 4.0198 PRESSURE: 2139800 15.7367 108.436 -185.634 108.436 -174.61 -55.4527 -185.634 -55.4536 -169.237 GPRESSURE: 2139800 58.399 44.9743 -192.504 56.6886 -105.521 19.2255 -73.8669 -146.737 -197.262 PRESSAVG: 2139800 -26.4731 -18.3262 -25.3072 -18.3262 11.2308 -27.6433 -25.3071 -27.6433 -23.7175 GPRESSAVG: 2139800 -24.5035 -19.1441 -22.0329 -18.2501 9.72071 -25.2855 -27.289 -28.1034 -24.202 TIMING: 2139800 CPU: 6750.36, 0.00317504/step Wall: 6750.36, 0.00317504/step, 2.52257 hours remaining, 239.386719 MB of memory in use. ENERGY: 2139800 3970.7209 20430.8627 14468.8728 248.8917 -203166.6353 2471.3188 0.0000 0.0000 52072.8761 -109503.0922 299.2635 -161575.9684 -109136.7302 298.9009 -109.3701 -81.4611 760970.5398 -12.9866 -12.9949 PRESSURE: 2140000 27.4179 291.771 164.635 291.771 -65.7774 -16.1107 164.635 -16.1115 281.292 GPRESSURE: 2140000 74.8627 338.829 123.13 215.725 19.1932 43.1073 133.719 11.405 213.89 PRESSAVG: 2140000 -14.1163 41.873 6.52894 41.873 -35.2168 27.854 6.52893 27.8541 18.1486 GPRESSAVG: 2140000 -15.7993 43.6581 4.682 40.5295 -32.5814 25.6591 9.53264 27.6156 18.0112 TIMING: 2140000 CPU: 6750.99, 0.00317116/step Wall: 6750.99, 0.00317116/step, 2.51931 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2140000 3947.0812 20465.3911 14495.6339 252.3757 -203969.6304 2858.2303 0.0000 0.0000 52171.6143 -109779.3039 299.8310 -161950.9182 -109411.6934 298.9537 80.9777 102.6488 761237.1189 -10.3949 -10.1231 PRESSURE: 2140200 79.8071 -16.9924 -47.0398 -16.9935 -297.74 -10.7344 -47.0393 -10.7339 -92.1368 GPRESSURE: 2140200 116.917 32.8805 -51.2059 -115.513 -246.587 -23.2633 -159.507 65.72 -123.183 PRESSAVG: 2140200 40.6223 14.5822 -19.2461 14.5823 -0.439817 15.2185 -19.2461 15.2186 26.1665 GPRESSAVG: 2140200 40.2356 13.6226 -21.736 17.4591 -1.06105 16.9701 -20.1152 15.6662 26.9075 TIMING: 2140200 CPU: 6751.62, 0.00315761/step Wall: 6751.62, 0.00315761/step, 2.50837 hours remaining, 239.386719 MB of memory in use. ENERGY: 2140200 3984.8924 20494.6512 14499.1706 259.2282 -203795.8636 2762.8886 0.0000 0.0000 52190.9007 -109604.1319 299.9418 -161795.0327 -109245.4748 299.2414 -103.3565 -84.2842 761785.1751 22.1164 22.0273 LDB: ============= START OF LOAD BALANCING ============== 6764.02 LDB: ============== END OF LOAD BALANCING =============== 6764.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6764.02 LDB: ============= START OF LOAD BALANCING ============== 6764.34 LDB: Largest compute 7025 load 0.036465 is 18.6% of average load 0.196038 LDB: Average compute 0.004409 is 2.2% of average load 0.196038 LDB: TIME 6764.34 LOAD: AVG 0.196038 MAX 0.216644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.871 MB LDB: TIME 6764.34 LOAD: AVG 0.196038 MAX 0.216644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 6764.34 LOAD: AVG 0.196038 MAX 0.216644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 6764.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6764.35 PRESSURE: 2140400 -320.933 -39.2902 -97.0871 -39.2906 -347.994 -56.3642 -97.0866 -56.3644 -236.443 GPRESSURE: 2140400 -324.625 -37.5138 -138.049 -78.3633 -257.797 -11.92 -25.9093 -72.443 -263.066 PRESSAVG: 2140400 3.00965 -15.9616 -42.3259 -15.9616 16.5326 27.5898 -42.3259 27.5898 14.0564 GPRESSAVG: 2140400 1.8445 -17.4277 -42.5316 -17.5324 16.2746 27.6429 -41.6964 25.4585 15.1302 TIMING: 2140400 CPU: 6752.27, 0.00321716/step Wall: 6752.27, 0.00321716/step, 2.5555 hours remaining, 238.285156 MB of memory in use. ENERGY: 2140400 4069.1938 20442.4360 14456.0225 250.0754 -203275.0758 2293.0920 0.0000 0.0000 52166.9196 -109597.3365 299.8040 -161764.2561 -109228.0353 299.2000 -301.7901 -281.8292 761577.0797 11.1996 11.0831 PRESSURE: 2140600 17.5521 104.897 22.5461 104.897 -7.44657 -179.562 22.5458 -179.562 34.3806 GPRESSURE: 2140600 101.421 136.443 -4.4155 21.7875 -28.716 -218.22 -81.2137 -263.11 42.5222 PRESSAVG: 2140600 -24.0494 -1.00602 -15.1075 -1.00601 -3.60116 -11.8759 -15.1075 -11.876 14.9589 GPRESSAVG: 2140600 -23.0261 0.472187 -14.0091 -2.54107 -3.99271 -13.5146 -15.791 -12.1299 14.214 TIMING: 2140600 CPU: 6752.9, 0.00314652/step Wall: 6752.9, 0.00314652/step, 2.49921 hours remaining, 238.488281 MB of memory in use. ENERGY: 2140600 3984.6347 20495.6374 14591.4680 262.3080 -203732.7590 2898.2695 0.0000 0.0000 51946.2435 -109554.1978 298.5358 -161500.4413 -109197.8098 299.0754 14.8287 38.4092 760104.6935 -4.2305 -4.2683 PRESSURE: 2140800 -307.122 -168.445 33.9903 -168.445 150.556 22.4033 33.9901 22.4041 -86.6151 GPRESSURE: 2140800 -269.199 -131.314 13.9519 -176.033 155.365 96.4903 35.7388 -49.6896 -49.7407 PRESSAVG: 2140800 -56.2676 -32.03 -37.4948 -32.0299 30.4096 -58.297 -37.4948 -58.2969 19.4519 GPRESSAVG: 2140800 -56.0394 -30.3618 -36.3492 -28.6349 30.0898 -55.8434 -36.2596 -56.956 19.1591 TIMING: 2140800 CPU: 6753.52, 0.00314011/step Wall: 6753.52, 0.00314011/step, 2.49395 hours remaining, 238.488281 MB of memory in use. ENERGY: 2140800 4031.7215 20548.2940 14524.1323 236.9940 -203508.2776 2613.2674 0.0000 0.0000 51865.5418 -109688.3266 298.0720 -161553.8684 -109327.8920 298.9890 -81.0603 -54.5246 759526.9387 -2.1354 -2.2635 PRESSURE: 2141000 -8.20552 24.5519 54.751 24.5528 -287.726 -261.436 54.7513 -261.436 -597.467 GPRESSURE: 2141000 6.71543 -70.425 -33.1507 43.7373 -210.562 -245.148 -82.3216 -204.48 -597.351 PRESSAVG: 2141000 12.2281 -18.9646 -71.3944 -18.9646 -17.599 6.05685 -71.3943 6.05686 -16.9003 GPRESSAVG: 2141000 12.392 -21.1297 -72.0025 -20.7908 -17.49 5.17616 -73.7259 7.30843 -17.004 TIMING: 2141000 CPU: 6754.15, 0.0031454/step Wall: 6754.15, 0.0031454/step, 2.49797 hours remaining, 238.488281 MB of memory in use. ENERGY: 2141000 3959.9221 20712.4353 14505.4111 233.1932 -202680.0443 1948.1867 0.0000 0.0000 51784.4833 -109536.4126 297.6061 -161320.8959 -109182.3690 299.0453 -297.7995 -267.0657 760455.0646 -7.4238 -7.3674 PRESSURE: 2141200 163.759 6.98164 64.3304 6.98141 -327.403 -97.4601 64.3307 -97.4608 56.3783 GPRESSURE: 2141200 142.207 2.06978 -17.9191 -11.1564 -234.853 -135.07 123.822 45.028 68.8567 PRESSAVG: 2141200 36.3095 -10.1247 -11.6221 -10.1247 -5.65906 2.31 -11.6222 2.30999 31.3407 GPRESSAVG: 2141200 36.1213 -10.4608 -12.2748 -9.44107 -5.33428 3.09131 -10.2307 2.96361 31.2889 TIMING: 2141200 CPU: 6754.78, 0.0031507/step Wall: 6754.78, 0.0031507/step, 2.502 hours remaining, 238.488281 MB of memory in use. ENERGY: 2141200 3930.6733 20408.5291 14462.2120 225.2800 -203377.6805 2521.7879 0.0000 0.0000 51937.3232 -109891.8750 298.4845 -161829.1982 -109527.4425 299.1061 -35.7552 -7.9298 759713.5240 20.6637 20.6920 PRESSURE: 2141400 -1.53915 -106.2 38.2062 -106.2 -469.602 71.8979 38.2059 71.8979 -94.1691 GPRESSURE: 2141400 49.0815 -51.5599 3.22593 -36.9186 -416.449 94.8437 21.9742 -16.2963 -125.255 PRESSAVG: 2141400 -57.926 -11.085 9.46924 -11.085 -18.7232 -32.7081 9.46928 -32.7082 12.635 GPRESSAVG: 2141400 -56.8931 -11.1985 10.6676 -10.0085 -18.7402 -34.1308 6.28801 -33.1669 12.1691 TIMING: 2141400 CPU: 6755.41, 0.00313731/step Wall: 6755.41, 0.00313731/step, 2.4912 hours remaining, 238.488281 MB of memory in use. ENERGY: 2141400 3957.5379 20393.8613 14518.3101 241.4885 -203531.1294 2705.4516 0.0000 0.0000 51883.4371 -109831.0428 298.1748 -161714.4800 -109466.1229 298.0488 -188.4367 -164.2074 759889.6009 -21.3381 -21.1547 PRESSURE: 2141600 88.5903 82.7816 -116.134 82.7813 17.8156 10.8887 -116.134 10.8878 199.692 GPRESSURE: 2141600 180.866 -23.7421 -154.227 86.3537 54.4527 -17.3653 -55.1165 67.885 142.984 PRESSAVG: 2141600 64.4262 13.6664 20.4432 13.6663 -37.1893 22.7672 20.4432 22.7673 15.3948 GPRESSAVG: 2141600 64.1055 13.3654 20.7368 12.9423 -37.5221 21.086 23.138 22.3262 15.8664 TIMING: 2141600 CPU: 6756.04, 0.00314278/step Wall: 6756.04, 0.00314278/step, 2.49537 hours remaining, 238.488281 MB of memory in use. ENERGY: 2141600 3882.6088 20476.7063 14573.0632 266.0365 -204056.9706 2838.7845 0.0000 0.0000 52131.1592 -109888.6121 299.5985 -162019.7713 -109531.9095 298.7452 102.0328 126.1007 760554.7121 14.2106 14.1499 PRESSURE: 2141800 78.5634 63.3752 -256.305 63.3755 -33.3492 -72.1944 -256.304 -72.1952 -606.957 GPRESSURE: 2141800 74.7091 146.228 -257.679 63.2123 -141.298 -2.08549 -96.6918 -78.919 -432.786 PRESSAVG: 2141800 30.9125 10.3061 -34.7132 10.3061 -16.4284 9.25874 -34.7132 9.25867 13.0923 GPRESSAVG: 2141800 31.6429 13.3214 -34.2228 9.45869 -17.3498 10.0044 -35.9615 8.77195 13.3154 TIMING: 2141800 CPU: 6756.67, 0.00317685/step Wall: 6756.67, 0.00317685/step, 2.52224 hours remaining, 238.488281 MB of memory in use. ENERGY: 2141800 4008.7702 20428.3584 14489.5703 257.5940 -203270.8927 2600.5806 0.0000 0.0000 51877.3462 -109608.6730 298.1398 -161486.0192 -109262.7165 298.0517 -187.2475 -166.4581 762159.1220 9.1922 9.2028 PRESSURE: 2142000 -256.301 -79.5111 49.0218 -79.5114 -78.4901 85.3435 49.0216 85.3438 201.252 GPRESSURE: 2142000 -229.059 -52.7895 117.022 -167.394 -69.6531 35.987 -23.7097 115.246 264.973 PRESSAVG: 2142000 7.24961 -16.6657 4.84578 -16.6656 -35.1438 -7.77507 4.84576 -7.77523 -28.4471 GPRESSAVG: 2142000 6.70677 -19.0326 0.724406 -16.3009 -34.7506 -8.29533 7.67091 -6.00104 -28.3765 TIMING: 2142000 CPU: 6757.3, 0.00314832/step Wall: 6757.3, 0.00314832/step, 2.49942 hours remaining, 238.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2142000 3903.7892 20448.8425 14449.1416 236.1209 -203157.0216 2510.1633 0.0000 0.0000 51990.0803 -109618.8838 298.7877 -161608.9641 -109258.8910 298.4304 -44.5129 -11.2464 762835.6015 -18.7804 -18.8068 PRESSURE: 2142200 313.824 52.9627 -89.4988 52.9624 109.787 23.6129 -89.4989 23.6132 215.287 GPRESSURE: 2142200 310.268 11.6981 -90.9901 96.4282 193.36 3.20313 -108.135 53.4183 223.338 PRESSAVG: 2142200 -16.0079 -13.6319 -10.7032 -13.632 15.2867 45.0825 -10.7033 45.0824 21.6152 GPRESSAVG: 2142200 -17.1625 -14.6022 -9.03878 -12.0675 15.4483 46.6738 -12.978 43.4293 22.919 TIMING: 2142200 CPU: 6757.94, 0.0031669/step Wall: 6757.94, 0.0031669/step, 2.51399 hours remaining, 238.488281 MB of memory in use. ENERGY: 2142200 3930.9026 20557.4529 14497.0278 243.0417 -203168.7126 2425.5900 0.0000 0.0000 51951.9591 -109562.7384 298.5686 -161514.6975 -109203.9281 298.6093 212.9662 242.3220 761497.0588 6.9647 7.0683 PRESSURE: 2142400 -425.394 7.12519 272.884 7.12562 -51.2737 -174.851 272.883 -174.852 111.136 GPRESSURE: 2142400 -306.179 180.472 259.988 -34.8399 -67.4632 -184.632 278.678 -36.608 83.5411 PRESSAVG: 2142400 8.98719 -14.8318 28.8823 -14.8317 5.50335 47.1146 28.8823 47.1147 11.0384 GPRESSAVG: 2142400 10.2475 -12.5892 29.2046 -16.6493 5.17462 44.2596 29.2707 51.4729 10.3133 TIMING: 2142400 CPU: 6758.57, 0.00316198/step Wall: 6758.57, 0.00316198/step, 2.50991 hours remaining, 238.488281 MB of memory in use. ENERGY: 2142400 3978.6585 20523.8659 14539.4624 229.5779 -203477.9322 2607.4142 0.0000 0.0000 52177.6349 -109421.3185 299.8656 -161598.9534 -109059.6074 299.0183 -121.8439 -96.7005 761225.9339 8.5096 8.5785 PRESSURE: 2142600 -15.3137 99.4135 -216.223 99.4133 -182.038 242.915 -216.223 242.916 -90.5887 GPRESSURE: 2142600 -44.1875 25.4326 -186.234 91.403 -101.785 97.7865 -207.552 123.935 -81.9581 PRESSAVG: 2142600 -7.70663 -18.8058 -9.23699 -18.8058 6.38063 46.2563 -9.23701 46.2562 -7.00291 GPRESSAVG: 2142600 -8.57364 -21.2573 -8.38888 -15.8784 6.64965 48.0658 -8.53497 43.7026 -6.63197 TIMING: 2142600 CPU: 6759.2, 0.00316877/step Wall: 6759.2, 0.00316877/step, 2.51513 hours remaining, 238.488281 MB of memory in use. ENERGY: 2142600 3971.6426 20652.7507 14434.0673 238.7203 -203122.9281 2446.6283 0.0000 0.0000 51906.7659 -109472.3531 298.3089 -161379.1190 -109113.3102 299.7405 -95.9800 -75.9767 761550.8838 -2.7763 -2.8520 PRESSURE: 2142800 -48.3991 47.8454 135.577 47.8448 208.137 40.7254 135.577 40.7251 108.872 GPRESSURE: 2142800 46.9897 26.4184 105.868 34.7112 217.004 99.0459 136.351 144.556 82.9805 PRESSAVG: 2142800 -19.6757 -20.6 -12.0278 -20.6 9.7571 29.0863 -12.0279 29.0862 -16.6303 GPRESSAVG: 2142800 -19.4688 -19.0049 -12.7122 -24.2918 10.6975 30.0285 -12.8878 28.4918 -17.4048 TIMING: 2142800 CPU: 6759.83, 0.00314035/step Wall: 6759.83, 0.00314035/step, 2.49239 hours remaining, 238.488281 MB of memory in use. ENERGY: 2142800 3980.0606 20534.5049 14551.6271 239.6833 -203319.3215 2542.1370 0.0000 0.0000 52115.3318 -109355.9770 299.5075 -161471.3087 -108996.5038 299.4803 89.5368 115.6582 762344.6264 -8.8496 -8.7254 PRESSURE: 2143000 -147.837 -232.293 -7.86108 -232.293 0.129077 -64.2971 -7.86164 -64.2963 -36.9624 GPRESSURE: 2143000 -125.091 -178.147 -71.9012 -223.463 32.6395 -39.9263 88.9437 -50.6363 -12.1934 PRESSAVG: 2143000 2.17481 24.4868 8.21598 24.4869 -9.48244 8.96937 8.21598 8.96941 3.74527 GPRESSAVG: 2143000 2.93312 22.5001 7.78396 26.8851 -9.60251 7.09936 9.18452 8.71506 3.30885 TIMING: 2143000 CPU: 6760.46, 0.00314677/step Wall: 6760.46, 0.00314677/step, 2.49731 hours remaining, 238.488281 MB of memory in use. ENERGY: 2143000 3890.6386 20492.7327 14575.1039 232.6489 -203049.5241 2218.7757 0.0000 0.0000 51978.1527 -109661.4716 298.7192 -161639.6243 -109290.5372 298.9630 -61.5569 -34.8815 761556.6822 -1.1875 -1.1202 PRESSURE: 2143200 180.622 -21.9923 -89.5928 -21.9924 189.672 -22.2465 -89.593 -22.2461 14.4222 GPRESSURE: 2143200 233.142 31.2884 12.8546 -3.59721 229.895 -48.3252 -135.619 -76.9913 3.16098 PRESSAVG: 2143200 -36.8937 2.61126 -6.68181 2.61122 33.701 -28.9624 -6.68179 -28.9624 -2.27143 GPRESSAVG: 2143200 -37.5247 2.70695 -6.70515 3.11413 33.7979 -29.2858 -5.52586 -26.5385 -1.66251 TIMING: 2143200 CPU: 6761.1, 0.00317016/step Wall: 6761.1, 0.00317016/step, 2.5157 hours remaining, 238.488281 MB of memory in use. ENERGY: 2143200 3959.1615 20469.6751 14448.4086 232.0099 -203944.5390 2985.5628 0.0000 0.0000 52104.5176 -109745.2036 299.4454 -161849.7211 -109384.1632 298.6623 128.2388 155.3992 760264.0627 -1.8214 -1.7964 PRESSURE: 2143400 -332.714 22.7626 111.238 22.7623 -678.383 99.7178 111.238 99.7195 -206.256 GPRESSURE: 2143400 -357.446 -55.5995 96.9314 52.0512 -549.415 26.397 -6.87512 -31.4481 -217.284 PRESSAVG: 2143400 32.1078 -35.8169 12.1214 -35.8169 -32.97 15.4624 12.1215 15.4624 -4.83607 GPRESSAVG: 2143400 31.6311 -35.3288 13.6185 -36.2426 -32.166 14.6395 11.0357 14.6529 -5.2269 TIMING: 2143400 CPU: 6761.73, 0.00316207/step Wall: 6761.73, 0.00316207/step, 2.50911 hours remaining, 238.488281 MB of memory in use. ENERGY: 2143400 4008.4893 20547.2439 14461.1953 241.7940 -202868.4999 2072.0490 0.0000 0.0000 51953.1103 -109584.6181 298.5752 -161537.7284 -109227.7525 299.3315 -405.7841 -374.7148 762112.3609 -1.8994 -1.9206 PRESSURE: 2143600 87.6422 31.2704 125.692 31.2701 193.631 -3.03148 125.692 -3.03174 168.938 GPRESSURE: 2143600 73.4284 4.62522 36.1908 3.85466 204.979 20.1758 101.323 163.347 258.32 PRESSAVG: 2143600 30.0736 -31.2628 14.0402 -31.2628 -76.3278 21.2042 14.0401 21.2041 -28.4605 GPRESSAVG: 2143600 30.8153 -31.2432 11.5849 -31.8643 -77.1605 23.8036 13.2779 20.967 -28.4287 TIMING: 2143600 CPU: 6762.36, 0.0031563/step Wall: 6762.36, 0.0031563/step, 2.50435 hours remaining, 238.488281 MB of memory in use. ENERGY: 2143600 3932.8207 20514.0743 14450.4992 250.8692 -203357.0541 2732.7352 0.0000 0.0000 51742.6607 -109733.3947 297.3658 -161476.0554 -109373.4412 298.7516 150.0706 178.9091 761031.3435 -24.9049 -24.9247 PRESSURE: 2143800 332.789 -103.931 51.4964 -103.93 187.496 -102.886 51.4967 -102.886 -189.715 GPRESSURE: 2143800 371.891 -52.6082 0.482816 -115.536 176.77 -86.3073 -36.0063 -51.7392 -112.355 PRESSAVG: 2143800 48.7335 -19.8042 -19.5606 -19.8043 -21.8545 23.0496 -19.5607 23.0496 10.7111 GPRESSAVG: 2143800 47.7206 -18.6064 -17.0633 -19.5912 -20.7182 23.1132 -20.1703 23.2471 10.7915 TIMING: 2143800 CPU: 6762.99, 0.00317542/step Wall: 6762.99, 0.00317542/step, 2.51934 hours remaining, 238.488281 MB of memory in use. ENERGY: 2143800 3975.8609 20532.2546 14479.0498 232.1396 -203344.2385 2344.3751 0.0000 0.0000 52245.6437 -109534.9147 300.2564 -161780.5584 -109161.5889 299.1700 110.1899 145.4353 759886.4467 12.5300 12.5980 PRESSURE: 2144000 -299.211 -4.81639 -230.038 -4.81642 195.264 -10.0583 -230.039 -10.0585 -161.111 GPRESSURE: 2144000 -96.6008 36.4795 -212.215 -88.4846 159.913 21.8904 -228.719 54.4658 -234.998 PRESSAVG: 2144000 -37.9943 7.77344 -18.4411 7.77344 48.9073 -28.2135 -18.441 -28.2134 -6.30131 GPRESSAVG: 2144000 -36.8698 8.11129 -17.948 8.51017 47.2161 -29.2145 -19.3025 -27.6046 -5.89295 TIMING: 2144000 CPU: 6763.63, 0.0031777/step Wall: 6763.63, 0.0031777/step, 2.52097 hours remaining, 238.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2144000 4018.5869 20471.7776 14459.1434 261.5609 -202964.8866 2254.3005 0.0000 0.0000 52086.8663 -109412.6508 299.3439 -161499.5172 -109046.7403 299.6684 -88.3525 -57.2285 762292.8339 1.5372 1.4845 PRESSURE: 2144200 -57.3801 75.7928 -152.962 75.7924 -190.316 -129.792 -152.962 -129.792 -6.37283 GPRESSURE: 2144200 -116.705 12.0195 -5.67718 -31.963 -61.6734 -120.712 -84.8112 -107.802 21.0789 PRESSAVG: 2144200 18.7334 -13.1927 -13.7555 -13.1927 7.81793 -26.8769 -13.7555 -26.8769 0.0558644 GPRESSAVG: 2144200 18.5322 -15.2339 -15.5251 -12.7409 7.94437 -27.3913 -11.54 -26.4867 -0.563093 TIMING: 2144200 CPU: 6764.26, 0.00316513/step Wall: 6764.26, 0.00316513/step, 2.51083 hours remaining, 238.488281 MB of memory in use. ENERGY: 2144200 4074.6773 20452.1655 14390.9384 229.2353 -202959.0544 2351.5324 0.0000 0.0000 51982.6789 -109477.8268 298.7452 -161460.5057 -109115.0099 299.4889 -84.6895 -52.4332 760550.1850 8.8691 8.6378 LDB: ============= START OF LOAD BALANCING ============== 6776.66 LDB: ============== END OF LOAD BALANCING =============== 6776.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6776.66 LDB: ============= START OF LOAD BALANCING ============== 6776.98 LDB: Largest compute 7025 load 0.037279 is 19.0% of average load 0.195963 LDB: Average compute 0.004417 is 2.3% of average load 0.195963 LDB: TIME 6776.98 LOAD: AVG 0.195963 MAX 0.219047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.773 MB LDB: TIME 6776.98 LOAD: AVG 0.195963 MAX 0.219047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.773 MB LDB: TIME 6776.98 LOAD: AVG 0.195963 MAX 0.219047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6776.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6776.99 PRESSURE: 2144400 58.8761 5.39517 -125.009 5.39573 174.908 -92.4642 -125.01 -92.4633 397.321 GPRESSURE: 2144400 113.033 -19.8231 -168.597 -142.878 149.157 -34.3102 -67.1716 -53.4917 449.302 PRESSAVG: 2144400 -35.4554 6.72363 15.9328 6.72369 5.61709 2.81948 15.9328 2.81951 -28.226 GPRESSAVG: 2144400 -35.0206 8.40041 16.4159 4.47973 5.50953 3.95643 15.038 2.18843 -28.2805 TIMING: 2144400 CPU: 6764.91, 0.00322836/step Wall: 6764.91, 0.00322836/step, 2.56081 hours remaining, 239.578125 MB of memory in use. ENERGY: 2144400 3984.2907 20624.6693 14459.7305 240.0073 -203021.6155 2322.2826 0.0000 0.0000 51992.7740 -109397.8610 298.8032 -161390.6351 -109038.9733 299.2996 210.3683 237.1641 760314.7050 -19.3548 -19.2639 PRESSURE: 2144600 -349.295 82.1163 -66.1431 82.117 277.484 -167.106 -66.1434 -167.106 -165.923 GPRESSURE: 2144600 -247.324 -4.58899 -105.059 51.3412 186.294 -108.645 -162.542 -71.7831 -110.592 PRESSAVG: 2144600 -36.2505 -2.51383 5.65182 -2.51373 -8.2924 37.4693 5.65177 37.4693 2.76323 GPRESSAVG: 2144600 -36.6011 -2.7586 6.00324 -0.0556265 -8.19243 38.0755 5.45066 37.7208 2.89207 TIMING: 2144600 CPU: 6765.54, 0.0031475/step Wall: 6765.54, 0.0031475/step, 2.49649 hours remaining, 239.578125 MB of memory in use. ENERGY: 2144600 4094.3271 20516.6087 14435.4386 238.6343 -203174.9206 2436.9913 0.0000 0.0000 52139.1424 -109313.7783 299.6444 -161452.9207 -108952.3345 299.6197 -79.2448 -57.2073 761626.7530 -13.9266 -13.9672 PRESSURE: 2144800 -408.399 65.4009 -19.6884 65.401 -19.7053 261.302 -19.6891 261.302 -76.8699 GPRESSURE: 2144800 -282.236 52.1094 51.4482 7.4095 -77.4482 208.247 -136.412 193.702 -61.1092 PRESSAVG: 2144800 -10.6553 33.0418 -16.1876 33.0418 28.071 55.417 -16.1876 55.4172 8.36316 GPRESSAVG: 2144800 -10.4549 34.4678 -15.5799 32.6594 28.209 56.0802 -16.8641 54.5332 8.5096 TIMING: 2144800 CPU: 6766.17, 0.00316512/step Wall: 6766.17, 0.00316512/step, 2.51029 hours remaining, 239.578125 MB of memory in use. ENERGY: 2144800 3957.8526 20686.0350 14511.8705 240.2162 -203151.4514 2353.4016 0.0000 0.0000 52128.1817 -109273.8939 299.5814 -161402.0756 -108920.3191 299.5330 -168.3249 -140.2645 762269.3136 8.5930 8.7546 PRESSURE: 2145000 150.762 2.25453 -46.1629 2.2546 -275.183 144.855 -46.1633 144.856 12.4006 GPRESSURE: 2145000 182.519 -40.8919 54.5683 -84.8587 -175.057 247.045 -78.8994 67.1953 4.34196 PRESSAVG: 2145000 -8.34442 63.0167 2.42094 63.0167 -25.5184 19.6256 2.42097 19.6257 5.50703 GPRESSAVG: 2145000 -7.68289 61.2271 2.54596 62.3378 -25.9318 20.0947 3.69477 19.1626 5.27702 TIMING: 2145000 CPU: 6766.8, 0.00316777/step Wall: 6766.8, 0.00316777/step, 2.51222 hours remaining, 239.578125 MB of memory in use. ENERGY: 2145000 4008.1601 20570.0089 14509.9132 248.7329 -202970.1271 2350.5706 0.0000 0.0000 52020.7000 -109262.0414 298.9637 -161282.7413 -108904.9873 298.9256 -37.3401 3.9346 761398.2787 -9.4519 -9.4459 PRESSURE: 2145200 300.885 -214.766 -125.588 -214.766 358.003 79.8307 -125.588 79.8313 469.395 GPRESSURE: 2145200 333.676 -191.209 -102.03 -196.025 396.404 91.6196 -76.703 89.012 472.244 PRESSAVG: 2145200 104.589 -17.6953 13.2 -17.6954 -89.6333 47.5012 13.2 47.5011 12.1107 GPRESSAVG: 2145200 105.526 -18.1855 12.8007 -18.5653 -90.7266 46.576 13.8988 47.6291 12.0853 TIMING: 2145200 CPU: 6767.44, 0.00316018/step Wall: 6767.44, 0.00316018/step, 2.50602 hours remaining, 239.578125 MB of memory in use. ENERGY: 2145200 4010.0491 20587.3344 14493.0514 257.3422 -203372.5151 2912.1449 0.0000 0.0000 51962.6098 -109149.9834 298.6298 -161112.5932 -108794.8312 299.8408 376.0943 400.7748 760429.1731 9.0220 8.9614 PRESSURE: 2145400 -429.495 154.031 50.6862 154.031 -92.3825 -165.302 50.6857 -165.302 252.045 GPRESSURE: 2145400 -315.527 230.296 8.40052 134.787 -46.5233 -123.579 107.351 -271.524 162.782 PRESSAVG: 2145400 23.3149 -21.0881 26.8066 -21.0881 -33.3651 19.931 26.8066 19.931 12.0246 GPRESSAVG: 2145400 23.2821 -17.2275 26.4109 -21.5893 -32.7912 20.6708 28.5739 18.5311 11.1832 TIMING: 2145400 CPU: 6768.07, 0.00317192/step Wall: 6768.07, 0.00317192/step, 2.51516 hours remaining, 239.578125 MB of memory in use. ENERGY: 2145400 3994.7411 20634.0126 14472.8686 248.0582 -203056.7115 2359.3341 0.0000 0.0000 52260.4655 -109087.2315 300.3416 -161347.6969 -108725.3696 300.0740 -89.9441 -66.4229 762477.2270 0.6581 0.5580 PRESSURE: 2145600 -341.923 -167.873 -282.952 -167.873 206.764 -32.757 -282.952 -32.756 -368.833 GPRESSURE: 2145600 -272.399 -149.456 -265.032 -175.248 193.635 0.886414 -403.179 24.2063 -330.037 PRESSAVG: 2145600 41.1481 -4.60038 5.79423 -4.60033 -31.2945 -13.3443 5.79421 -13.3442 13.7072 GPRESSAVG: 2145600 41.4292 -9.26268 4.93869 -2.79544 -30.3636 -15.049 2.21165 -9.59607 13.4296 TIMING: 2145600 CPU: 6768.71, 0.00318568/step Wall: 6768.71, 0.00318568/step, 2.52589 hours remaining, 239.578125 MB of memory in use. ENERGY: 2145600 4008.8515 20559.0367 14460.3865 244.0230 -203177.5207 2527.9132 0.0000 0.0000 52299.5816 -109077.7282 300.5664 -161377.3098 -108709.8191 300.0720 -167.9973 -136.2667 762164.7077 7.8536 8.1650 PRESSURE: 2145800 158.843 -179.554 -15.4052 -179.554 123.311 137.271 -15.4049 137.27 128.388 GPRESSURE: 2145800 240.829 -154.974 -38.2145 -176.575 158.676 84.148 -8.79002 101.391 91.4732 PRESSAVG: 2145800 20.7916 -16.1119 -37.346 -16.1119 -26.3865 -28.9282 -37.346 -28.9282 8.61169 GPRESSAVG: 2145800 21.1188 -14.1877 -38.5348 -16.4995 -26.8782 -27.5873 -35.5574 -31.6116 9.38042 TIMING: 2145800 CPU: 6769.34, 0.00316401/step Wall: 6769.34, 0.00316401/step, 2.50853 hours remaining, 239.578125 MB of memory in use. ENERGY: 2145800 3945.5825 20564.9486 14440.6322 238.2153 -203084.8242 2511.3380 0.0000 0.0000 52135.2223 -109248.8853 299.6218 -161384.1076 -108882.2221 300.0554 136.8475 163.6596 760887.0799 1.0056 1.2070 PRESSURE: 2146000 176.759 -82.7903 -275.337 -82.7905 130.256 126.361 -275.338 126.361 -272.724 GPRESSURE: 2146000 205.946 -136.047 -350.354 -52.3367 103.642 110.86 -132.654 183.831 -174.738 PRESSAVG: 2146000 71.195 0.0885579 -42.1772 0.0885444 -40.101 -9.00867 -42.1772 -9.00867 -29.8797 GPRESSAVG: 2146000 69.0776 -0.316879 -39.6889 -0.615848 -38.674 -8.25281 -42.1671 -10.3081 -29.0796 TIMING: 2146000 CPU: 6769.97, 0.00316576/step Wall: 6769.97, 0.00316576/step, 2.50975 hours remaining, 239.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2146000 4038.8714 20524.1172 14486.5691 241.3049 -202976.1376 2391.1850 0.0000 0.0000 52090.1781 -109203.9118 299.3630 -161294.0899 -108839.1988 299.6646 11.4301 44.9499 760700.6568 0.4048 0.4413 PRESSURE: 2146200 208.763 -41.5073 28.3818 -41.5082 -376.792 145.121 28.3822 145.121 -95.4976 GPRESSURE: 2146200 122.5 -18.164 63.8701 -96.1924 -245.135 119.641 0.684855 195.985 -57.4438 PRESSAVG: 2146200 36.091 8.69501 -20.424 8.69504 -15.0163 -38.4855 -20.424 -38.4855 16.0785 GPRESSAVG: 2146200 37.8574 9.44557 -22.1985 7.96067 -15.9254 -40.1057 -20.8383 -38.806 15.1551 TIMING: 2146200 CPU: 6770.61, 0.00317253/step Wall: 6770.61, 0.00317253/step, 2.51493 hours remaining, 239.578125 MB of memory in use. ENERGY: 2146200 4099.3988 20708.4385 14525.0244 267.3052 -203584.2630 2564.8213 0.0000 0.0000 52321.0467 -109098.2280 300.6898 -161419.2747 -108734.9740 299.9035 -87.8423 -60.0262 760037.4832 12.3844 12.3623 PRESSURE: 2146400 -436.322 -55.2626 296.083 -55.2628 184.646 133.278 296.083 133.278 -15.4925 GPRESSURE: 2146400 -333.302 -72.0682 321.497 -145.534 93.6237 148.883 145.22 126.896 69.3045 PRESSAVG: 2146400 -19.9127 -27.8566 -22.6007 -27.8566 42.3846 64.7909 -22.6008 64.791 -10.1903 GPRESSAVG: 2146400 -20.2691 -28.7697 -22.1335 -26.4684 42.2285 64.5905 -23.6454 67.6407 -9.21836 TIMING: 2146400 CPU: 6771.25, 0.00319034/step Wall: 6771.25, 0.00319034/step, 2.52888 hours remaining, 239.578125 MB of memory in use. ENERGY: 2146400 3999.8208 20694.0446 14472.1780 259.6744 -203213.3011 2508.9120 0.0000 0.0000 52111.7087 -109166.9627 299.4867 -161278.6713 -108808.9427 300.0543 -89.0562 -56.7912 759627.6294 4.0939 4.2470 PRESSURE: 2146600 168.713 94.1217 -201.071 94.1206 -69.6902 64.5939 -201.072 64.5949 251.825 GPRESSURE: 2146600 138.392 111.979 -192.269 151.848 81.858 -1.85456 -156.36 122.621 209.227 PRESSAVG: 2146600 5.60764 0.901727 7.74387 0.901798 47.148 46.6783 7.74386 46.6783 11.7877 GPRESSAVG: 2146600 5.35041 1.71444 7.19986 -0.728229 47.3412 47.5825 9.197 44.9304 12.0186 TIMING: 2146600 CPU: 6771.88, 0.00315411/step Wall: 6771.88, 0.00315411/step, 2.49998 hours remaining, 239.578125 MB of memory in use. ENERGY: 2146600 4053.4145 20679.5510 14473.3710 276.7625 -203636.8320 2605.6338 0.0000 0.0000 52171.4576 -109376.6418 299.8301 -161548.0993 -109012.5807 299.8142 116.9494 143.1591 758729.8534 21.5144 21.5701 PRESSURE: 2146800 -13.7402 24.0869 -22.6689 24.0866 138.371 319.232 -22.669 319.23 174.469 GPRESSURE: 2146800 93.0431 66.6233 7.88962 178.306 73.8615 310.666 -30.5527 221.599 207.348 PRESSAVG: 2146800 27.8571 27.7597 7.8658 27.7598 -48.0821 -14.3474 7.86589 -14.3474 -7.6543 GPRESSAVG: 2146800 28.4006 27.6478 8.87184 29.3973 -48.6274 -16.6321 8.84714 -12.9278 -7.13508 TIMING: 2146800 CPU: 6772.51, 0.0031802/step Wall: 6772.51, 0.0031802/step, 2.52048 hours remaining, 239.578125 MB of memory in use. ENERGY: 2146800 3935.8811 20664.4163 14521.6619 241.0369 -203502.8681 2557.5660 0.0000 0.0000 52158.9610 -109423.3449 299.7583 -161582.3059 -109055.2718 299.4019 99.7000 124.7507 761692.4382 -9.2931 -9.1206 PRESSURE: 2147000 106.578 -78.7538 -151.008 -78.754 -216.578 -7.01056 -151.007 -7.01046 -154.923 GPRESSURE: 2147000 189.837 -52.9267 -51.6761 29.7928 -148.61 18.1871 -176.58 -47.859 -234.536 PRESSAVG: 2147000 8.62178 9.24679 12.5154 9.24676 -33.8995 21.0838 12.5154 21.0838 12.1252 GPRESSAVG: 2147000 8.11322 10.4941 13.665 8.31988 -32.9468 22.656 10.2464 21.573 11.7331 TIMING: 2147000 CPU: 6773.15, 0.00316085/step Wall: 6773.15, 0.00316085/step, 2.50498 hours remaining, 239.578125 MB of memory in use. ENERGY: 2147000 3913.0062 20575.0159 14561.0155 265.3406 -203538.0320 2511.7719 0.0000 0.0000 52339.8099 -109372.0720 300.7976 -161711.8819 -109006.1617 299.6632 -88.3077 -64.4365 760854.1925 -4.3842 -4.3668 PRESSURE: 2147200 223.14 91.9354 229.071 91.9353 132.394 16.1633 229.07 16.1635 267.691 GPRESSURE: 2147200 192.505 59.2265 247.797 30.6859 161.615 91.2216 144.319 30.1375 367.34 PRESSAVG: 2147200 24.1322 7.57289 -54.1818 7.57288 -28.6054 -53.8739 -54.1818 -53.874 -1.72243 GPRESSAVG: 2147200 24.6318 8.94817 -56.3413 6.39066 -28.9337 -53.1685 -52.8092 -52.5779 -1.84327 TIMING: 2147200 CPU: 6773.77, 0.00314243/step Wall: 6773.77, 0.00314243/step, 2.4902 hours remaining, 239.578125 MB of memory in use. ENERGY: 2147200 3933.0957 20580.2611 14444.0798 258.0553 -203782.3329 2943.2650 0.0000 0.0000 52118.4549 -109505.1211 299.5255 -161623.5759 -109142.6838 299.7769 207.7416 240.4867 759532.4109 -2.0652 -2.0484 PRESSURE: 2147400 -189.777 -21.3934 -18.2609 -21.3941 -281.402 139.979 -18.2615 139.978 82.0703 GPRESSURE: 2147400 -82.3536 -86.552 37.4696 9.94023 -352.727 113.718 -94.3807 176.97 140.022 PRESSAVG: 2147400 -8.41627 26.3255 -23.4813 26.3255 23.1381 2.75273 -23.4814 2.75272 23.5734 GPRESSAVG: 2147400 -8.88234 24.8883 -21.9509 27.2589 22.9946 3.53301 -23.4107 1.87493 23.68 TIMING: 2147400 CPU: 6774.4, 0.0031497/step Wall: 6774.4, 0.0031497/step, 2.49579 hours remaining, 239.578125 MB of memory in use. ENERGY: 2147400 4088.5956 20575.8860 14468.8233 232.2497 -203142.4813 2416.8435 0.0000 0.0000 51903.4202 -109456.6629 298.2897 -161360.0831 -109097.3652 299.1847 -129.7030 -98.3530 761343.2654 12.7651 12.5974 PRESSURE: 2147600 -228.183 2.75354 136.565 2.75261 -5.7497 63.3973 136.565 63.3975 -246.531 GPRESSURE: 2147600 -159.241 53.0268 85.397 -78.0452 17.6003 34.8928 23.1869 92.9109 -261.68 PRESSAVG: 2147600 -32.1761 35.6705 27.2917 35.6705 19.4425 -27.0309 27.2917 -27.031 -10.8613 GPRESSAVG: 2147600 -33.4295 36.3241 27.3954 34.397 20.803 -26.5036 26.8404 -26.8912 -11.5253 TIMING: 2147600 CPU: 6775.04, 0.00317332/step Wall: 6775.04, 0.00317332/step, 2.51433 hours remaining, 239.578125 MB of memory in use. ENERGY: 2147600 3964.3907 20604.7351 14504.6833 239.6260 -203610.8428 2349.8835 0.0000 0.0000 52244.8407 -109702.6834 300.2518 -161947.5241 -109341.0153 299.6033 -160.1546 -134.4402 759564.7084 -7.8650 -8.0506 PRESSURE: 2147800 -289.947 30.7536 -69.9808 30.7529 -116.735 -113.409 -69.9806 -113.41 171.908 GPRESSURE: 2147800 -270.271 -20.3975 -151.017 51.7539 -119.333 -193.414 136.549 -165.893 227.058 PRESSAVG: 2147800 22.5445 -35.7127 -7.8592 -35.7128 44.5719 -10.5326 -7.8592 -10.5326 -15.5171 GPRESSAVG: 2147800 23.0655 -37.7288 -9.31435 -34.3087 44.2932 -12.5915 -5.91363 -11.3796 -15.9073 TIMING: 2147800 CPU: 6775.67, 0.00315273/step Wall: 6775.67, 0.00315274/step, 2.49784 hours remaining, 239.578125 MB of memory in use. ENERGY: 2147800 3927.6412 20553.3803 14388.8148 240.4320 -203425.7258 2393.2871 0.0000 0.0000 52106.6364 -109815.5340 299.4576 -161922.1704 -109447.6283 299.1646 -78.2581 -54.1819 759691.1099 17.1997 17.1504 PRESSURE: 2148000 -181.301 69.8331 150.235 69.8323 -125.622 46.5569 150.234 46.5581 -78.5157 GPRESSURE: 2148000 -191.991 166.921 204.044 -38.4496 -95.6391 87.9995 107.428 39.322 -2.97913 PRESSAVG: 2148000 -19.2685 6.67199 -2.44213 6.67204 6.5155 -41.1155 -2.44221 -41.1155 0.890798 GPRESSAVG: 2148000 -18.7851 9.41058 -1.58171 6.33366 5.70589 -38.969 -4.70501 -41.4609 1.53114 TIMING: 2148000 CPU: 6776.3, 0.00316056/step Wall: 6776.3, 0.00316056/step, 2.50387 hours remaining, 239.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2148000 3883.7204 20610.8226 14461.7504 249.5206 -203529.8635 2394.7721 0.0000 0.0000 51877.2101 -110052.0673 298.1390 -161929.2773 -109696.4431 298.6231 -128.4794 -96.8696 759049.9898 -3.9541 -3.8493 PRESSURE: 2148200 138.393 -102.944 64.2176 -102.944 127.721 17.2104 64.2175 17.21 81.5653 GPRESSURE: 2148200 224.395 -190.831 36.6505 -79.8701 142.855 27.3132 116.837 116.358 96.5913 PRESSAVG: 2148200 -25.2304 0.192991 4.39991 0.192958 58.0205 -17.5581 4.39996 -17.5581 -15.1586 GPRESSAVG: 2148200 -24.9073 -2.59281 3.4829 0.51178 57.4471 -17.1059 4.77536 -16.2401 -15.0542 TIMING: 2148200 CPU: 6776.94, 0.00317704/step Wall: 6776.94, 0.00317704/step, 2.51674 hours remaining, 239.578125 MB of memory in use. ENERGY: 2148200 4011.0782 20524.5801 14451.1459 236.2540 -203746.9388 2727.5990 0.0000 0.0000 52100.2596 -109696.0220 299.4209 -161796.2815 -109329.2695 298.4235 115.8932 154.6138 758839.5555 5.8772 5.8285 LDB: ============= START OF LOAD BALANCING ============== 6789.34 LDB: ============== END OF LOAD BALANCING =============== 6789.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6789.34 LDB: ============= START OF LOAD BALANCING ============== 6789.65 LDB: Largest compute 7025 load 0.036485 is 18.6% of average load 0.195932 LDB: Average compute 0.004395 is 2.2% of average load 0.195932 LDB: TIME 6789.66 LOAD: AVG 0.195932 MAX 0.217368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.176 MB LDB: TIME 6789.66 LOAD: AVG 0.195932 MAX 0.217368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.176 MB LDB: TIME 6789.66 LOAD: AVG 0.195932 MAX 0.217368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.176 MB LDB: ============== END OF LOAD BALANCING =============== 6789.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6789.66 PRESSURE: 2148400 -49.9823 50.4944 21.2834 50.495 141.069 121.221 21.2836 121.222 -54.976 GPRESSURE: 2148400 -88.1738 29.8339 -66.766 90.0176 198.682 138.538 35.9243 -81.4372 34.8157 PRESSAVG: 2148400 29.0852 -7.01179 -14.2407 -7.01174 17.6939 -12.7616 -14.2407 -12.7616 6.41101 GPRESSAVG: 2148400 28.516 -6.37575 -14.3253 -7.18168 17.9971 -14.4168 -13.1725 -14.5002 6.52964 TIMING: 2148400 CPU: 6777.58, 0.00322067/step Wall: 6777.58, 0.00322067/step, 2.55113 hours remaining, 237.332031 MB of memory in use. ENERGY: 2148400 3994.6495 20454.9809 14474.8897 246.6885 -203797.4836 2797.5562 0.0000 0.0000 52057.7231 -109770.9957 299.1764 -161828.7188 -109408.5379 299.0645 12.0369 48.4412 759129.1185 17.7300 17.6809 PRESSURE: 2148600 -120.26 -31.6707 -329.996 -31.6708 84.0122 -64.3222 -329.996 -64.3222 25.101 GPRESSURE: 2148600 -84.7922 -1.54775 -358.013 -40.2587 124.629 -24.7514 -262.007 -42.0109 42.3733 PRESSAVG: 2148600 -14.7837 -1.53006 7.38219 -1.53 -31.2475 -17.246 7.38214 -17.2459 -6.92816 GPRESSAVG: 2148600 -13.9219 -1.6631 7.41159 -1.55773 -31.0835 -16.2538 5.88269 -16.5429 -7.38257 TIMING: 2148600 CPU: 6778.21, 0.0031485/step Wall: 6778.21, 0.0031485/step, 2.49379 hours remaining, 237.332031 MB of memory in use. ENERGY: 2148600 3892.2162 20435.3330 14473.3587 247.7509 -203199.4012 2443.2083 0.0000 0.0000 51621.2535 -110086.2807 296.6681 -161707.5342 -109727.9001 298.5185 -3.7155 27.4034 760917.4305 -17.6531 -17.4626 PRESSURE: 2148800 -148.91 65.2305 -102.173 65.231 161.484 -175.477 -102.173 -175.475 75.1566 GPRESSURE: 2148800 -179.528 17.5341 -75.5239 111.449 209.571 -174.931 170.68 -86.5967 127.26 PRESSAVG: 2148800 -61.893 32.431 -49.1809 32.4311 11.7541 -18.8674 -49.1809 -18.8675 8.32259 GPRESSAVG: 2148800 -63.3582 31.7595 -47.9419 32.1319 13.1771 -19.7199 -49.2468 -20.2498 8.36856 TIMING: 2148800 CPU: 6778.84, 0.00314738/step Wall: 6778.84, 0.00314738/step, 2.49272 hours remaining, 237.332031 MB of memory in use. ENERGY: 2148800 3935.5862 20475.0846 14444.8575 255.0701 -203549.7114 2580.3063 0.0000 0.0000 51776.7095 -110082.0971 297.5615 -161858.8067 -109725.1646 298.2077 29.2434 52.4343 758455.2586 -13.9388 -13.9375 PRESSURE: 2149000 99.1143 147.586 -139.304 147.585 226.639 37.2606 -139.303 37.259 137.519 GPRESSURE: 2149000 134.269 131.503 -155.52 108.397 271.546 80.5831 -70.6894 -19.2975 122.876 PRESSAVG: 2149000 10.5188 5.10249 -3.08481 5.10251 19.2724 19.8677 -3.08478 19.8676 19.9774 GPRESSAVG: 2149000 11.2456 6.30216 -3.14322 4.91207 19.0866 20.7649 -2.8918 22.5417 18.9322 TIMING: 2149000 CPU: 6779.47, 0.00316223/step Wall: 6779.47, 0.00316223/step, 2.50431 hours remaining, 237.332031 MB of memory in use. ENERGY: 2149000 3940.6675 20442.4068 14408.7729 245.5627 -203840.3823 2714.4983 0.0000 0.0000 51799.3664 -110289.1078 297.6917 -162088.4742 -109922.7271 298.0499 154.4240 176.2302 760876.7463 16.5895 16.4215 PRESSURE: 2149200 -243.491 28.8215 81.573 28.8212 63.6478 -113.555 81.5724 -113.555 -12.0484 GPRESSURE: 2149200 -158.58 35.6702 60.9626 118.921 128.96 -168.931 197.073 -145.204 -92.0461 PRESSAVG: 2149200 -18.2761 28.2314 -19.1671 28.2314 16.7843 12.222 -19.1671 12.2219 -7.81817 GPRESSAVG: 2149200 -18.8239 28.3133 -19.033 28.68 16.4367 11.5003 -17.8306 12.0503 -6.80614 TIMING: 2149200 CPU: 6780.11, 0.00317348/step Wall: 6780.11, 0.00317348/step, 2.51304 hours remaining, 237.332031 MB of memory in use. ENERGY: 2149200 3916.7626 20452.5641 14400.1664 254.9932 -203454.6441 2462.9122 0.0000 0.0000 51884.4470 -110082.7985 298.1806 -161967.2455 -109718.9689 297.7117 -63.9640 -40.5553 762365.4996 -3.1033 -3.0644 PRESSURE: 2149400 -51.0345 0.884792 65.5448 0.884727 -69.0902 -78.5901 65.5441 -78.5906 -103.571 GPRESSURE: 2149400 13.576 52.3391 34.8013 60.5944 -88.2747 -54.5251 -25.1266 -75.6856 -75.2397 PRESSAVG: 2149400 5.3 -5.9643 -68.3089 -5.96427 -25.3463 -77.2752 -68.3088 -77.2752 2.13486 GPRESSAVG: 2149400 4.26763 -5.79983 -67.5285 -7.02408 -25.705 -77.5788 -70.2277 -76.6121 2.9504 TIMING: 2149400 CPU: 6780.74, 0.0031771/step Wall: 6780.74, 0.0031771/step, 2.51573 hours remaining, 237.332031 MB of memory in use. ENERGY: 2149400 4026.1978 20771.2531 14375.3991 226.7369 -203859.8550 2653.4727 0.0000 0.0000 51910.6088 -109896.1868 298.3310 -161806.7956 -109524.5762 298.0685 -74.5653 -49.9794 759384.6337 -5.9705 -6.1623 PRESSURE: 2149600 -446.406 -183.57 -349.611 -183.571 -291.301 -11.9523 -349.611 -11.9533 -166.426 GPRESSURE: 2149600 -388.183 -159.451 -252.448 -63.5775 -318.632 -40.4736 -400.228 -57.3522 -106.574 PRESSAVG: 2149600 -15.9114 5.03052 -39.8916 5.03049 22.2895 -27.1387 -39.8917 -27.1386 19.054 GPRESSAVG: 2149600 -13.9674 6.76815 -38.8523 5.3711 21.5884 -27.6384 -39.9127 -28.3531 17.6364 TIMING: 2149600 CPU: 6781.37, 0.00314647/step Wall: 6781.37, 0.00314647/step, 2.4913 hours remaining, 237.332031 MB of memory in use. ENERGY: 2149600 4035.9677 20464.5146 14368.9092 230.6478 -203034.2946 2186.2118 0.0000 0.0000 51764.9564 -109983.0870 297.4939 -161748.0434 -109630.5626 298.4644 -301.3777 -271.1297 760401.6315 8.4774 8.4191 PRESSURE: 2149800 -222.693 -51.8979 -247.521 -51.8984 219.011 -76.1964 -247.522 -76.197 -261.653 GPRESSURE: 2149800 -67.1849 -58.3639 -198.076 -55.7776 185.859 -101.716 -246.623 51.355 -280.053 PRESSAVG: 2149800 4.43191 -3.42674 -47.185 -3.4267 3.65093 0.672838 -47.1849 0.672866 -11.4861 GPRESSAVG: 2149800 4.14914 -2.23936 -49.4156 -4.75324 3.51416 1.05412 -47.0639 0.999596 -10.8839 TIMING: 2149800 CPU: 6782, 0.0031528/step Wall: 6782, 0.0031528/step, 2.49614 hours remaining, 237.332031 MB of memory in use. ENERGY: 2149800 4055.6324 20464.5522 14383.2524 245.8089 -203819.6477 2931.8864 0.0000 0.0000 51805.1798 -109933.3356 297.7251 -161738.5154 -109577.4133 298.0682 -88.4449 -53.7932 761628.2077 -1.1344 -1.0735 PRESSURE: 2150000 232.421 178.031 140.348 178.031 -135.072 39.1345 140.348 39.1334 9.64057 GPRESSURE: 2150000 150.491 162.449 91.9611 222.353 49.2714 87.2929 97.0452 -3.58239 4.84387 PRESSAVG: 2150000 -17.6139 -37.1026 11.8609 -37.1026 25.5007 -7.23871 11.861 -7.23873 -18.141 GPRESSAVG: 2150000 -17.5376 -40.0239 11.5079 -34.9682 27.1872 -7.21672 12.1651 -8.9741 -19.8807 TIMING: 2150000 CPU: 6782.63, 0.00316009/step Wall: 6782.63, 0.00316009/step, 2.50174 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2150000 4001.9160 20503.6113 14412.9128 242.0980 -203746.7259 2610.7341 0.0000 0.0000 51939.9190 -110035.5349 298.4994 -161975.4538 -109673.4207 298.1075 35.6629 68.2022 760640.0148 -3.4180 -3.4103 PRESSURE: 2150200 -170.655 -86.5796 -218.425 -86.5805 135.518 -31.4811 -218.425 -31.4807 241.146 GPRESSURE: 2150200 -155.159 -16.2505 -351.789 -93.1649 148.264 -75.1096 -255.721 -6.0424 283.098 PRESSAVG: 2150200 -7.98069 -11.1032 -5.5236 -11.1031 -13.9778 32.3182 -5.52359 32.3182 2.32537 GPRESSAVG: 2150200 -9.15632 -11.0639 -3.36529 -12.1865 -14.5936 31.8309 -5.44508 32.7918 4.27114 TIMING: 2150200 CPU: 6783.27, 0.00315313/step Wall: 6783.27, 0.00315313/step, 2.49605 hours remaining, 237.332031 MB of memory in use. ENERGY: 2150200 3944.4591 20597.8222 14471.5115 229.0300 -203596.9028 2499.0712 0.0000 0.0000 51839.4408 -110015.5680 297.9220 -161855.0088 -109654.9292 298.5243 68.6697 92.0677 758870.7730 -6.5444 -6.4929 PRESSURE: 2150400 5.17075 -12.2062 -28.588 -12.2064 -51.0551 22.4209 -28.5881 22.4198 -48.4016 GPRESSURE: 2150400 21.3843 -42.3076 -54.103 60.9127 29.6801 83.3075 9.79809 65.7124 -41.9652 PRESSAVG: 2150400 -16.9631 -36.4201 4.42507 -36.42 16.7941 13.0705 4.42502 13.0705 -14.6926 GPRESSAVG: 2150400 -16.0795 -37.4214 4.28875 -34.8819 16.79 13.7318 3.97629 12.3689 -15.9926 TIMING: 2150400 CPU: 6783.9, 0.0031553/step Wall: 6783.9, 0.0031553/step, 2.4976 hours remaining, 237.332031 MB of memory in use. ENERGY: 2150400 3980.1005 20523.5429 14482.8972 282.8653 -203690.9041 2374.9638 0.0000 0.0000 52042.5326 -110004.0018 299.0892 -162046.5344 -109635.7155 298.5670 -31.4287 3.0331 757479.7941 -4.9539 -5.0940 PRESSURE: 2150600 -92.8926 -89.7337 -239.175 -89.734 10.5407 -66.8256 -239.175 -66.8249 -262.496 GPRESSURE: 2150600 -72.934 -60.0584 -148.479 -116.524 -40.2116 -74.8695 -268.353 24.621 -167.75 PRESSAVG: 2150600 41.6158 -63.1567 42.8922 -63.1568 -21.242 22.6764 42.8922 22.6765 9.54474 GPRESSAVG: 2150600 41.7481 -60.3112 43.1255 -66.0258 -21.6236 22.6082 43.7117 24.1552 10.1054 TIMING: 2150600 CPU: 6784.53, 0.00317319/step Wall: 6784.53, 0.00317319/step, 2.51158 hours remaining, 237.332031 MB of memory in use. ENERGY: 2150600 4000.5273 20578.0619 14433.6083 224.6756 -203157.1375 2164.3974 0.0000 0.0000 51850.1673 -109905.6997 297.9836 -161755.8669 -109556.9436 298.6651 -114.9492 -93.6320 759362.2293 9.9728 10.0766 PRESSURE: 2150800 247.55 -7.90206 -99.0112 -7.90219 177.825 14.7345 -99.0111 14.7349 -238.456 GPRESSURE: 2150800 233.602 -27.4894 -59.2413 -25.2398 165.475 -27.9887 -30.9509 -18.4487 -133.822 PRESSAVG: 2150800 49.0683 -1.18166 -9.57229 -1.18171 -50.926 7.649 -9.57227 7.64899 -24.0674 GPRESSAVG: 2150800 49.1575 -3.78348 -11.5208 1.11983 -50.1885 7.05628 -10.6028 8.06572 -24.649 TIMING: 2150800 CPU: 6785.16, 0.00316254/step Wall: 6785.16, 0.00316254/step, 2.50298 hours remaining, 237.332031 MB of memory in use. ENERGY: 2150800 3998.9799 20420.7835 14396.6063 251.0299 -203659.5829 2713.7422 0.0000 0.0000 52152.5898 -109725.8513 299.7217 -161878.4411 -109355.5590 298.7301 62.3064 88.4184 761009.8875 -8.6417 -8.5600 PRESSURE: 2151000 151.273 -126.023 -93.8367 -126.024 -65.1382 116.454 -93.8367 116.455 4.98028 GPRESSURE: 2151000 133.289 -184.671 -89.912 -21.6708 63.0571 93.8971 -230.674 86.8066 -1.46926 PRESSAVG: 2151000 -83.1098 -60.599 -61.4452 -60.599 68.3761 4.98768 -61.4452 4.98777 -18.1792 GPRESSAVG: 2151000 -83.8503 -60.0117 -60.6995 -59.8303 68.7486 3.57436 -61.9944 5.65714 -18.0484 TIMING: 2151000 CPU: 6785.8, 0.00316689/step Wall: 6785.8, 0.00316689/step, 2.50624 hours remaining, 237.332031 MB of memory in use. ENERGY: 2151000 3933.0944 20617.4677 14431.3057 250.3233 -203478.0209 2391.7777 0.0000 0.0000 52033.1252 -109820.9270 299.0351 -161854.0522 -109466.7722 298.9525 30.3716 64.9588 761668.2161 -10.9710 -11.0500 PRESSURE: 2151200 -278.119 -32.4604 -75.6273 -32.4606 -151.583 44.8444 -75.6266 44.8446 -193.783 GPRESSURE: 2151200 -214.368 -76.8249 -40.1698 23.5496 -111.787 -22.2302 -120.129 -2.15571 -207.903 PRESSAVG: 2151200 -8.45671 -10.9343 -7.88021 -10.9343 7.29107 15.5733 -7.88018 15.5734 -12.5317 GPRESSAVG: 2151200 -7.80482 -11.4182 -7.21718 -12.7227 6.52755 18.4496 -6.25725 13.6431 -11.7434 TIMING: 2151200 CPU: 6786.43, 0.00315062/step Wall: 6786.43, 0.00315062/step, 2.49319 hours remaining, 237.332031 MB of memory in use. ENERGY: 2151200 4033.4545 20469.2577 14428.1618 249.5218 -203553.3047 2421.4491 0.0000 0.0000 52070.9347 -109880.5250 299.2524 -161951.4597 -109518.4610 299.0747 -207.8284 -178.0195 760912.6660 -4.5658 -4.3402 PRESSURE: 2151400 239.675 5.53787 123.665 5.53891 -81.5684 13.9446 123.665 13.9448 318.975 GPRESSURE: 2151400 240.908 35.1139 87.9574 48.8908 -11.3844 49.0128 104.575 -5.85751 341.918 PRESSAVG: 2151400 -22.5051 4.50144 -55.7113 4.50148 21.7715 -22.5855 -55.7112 -22.5855 9.46018 GPRESSAVG: 2151400 -20.1153 5.14776 -57.4024 4.302 21.4961 -23.5945 -57.8002 -21.4751 7.27149 TIMING: 2151400 CPU: 6787.06, 0.00314335/step Wall: 6787.06, 0.00314335/step, 2.48726 hours remaining, 237.332031 MB of memory in use. ENERGY: 2151400 3906.2235 20485.8882 14414.7308 250.7878 -204214.8043 2841.5612 0.0000 0.0000 52383.6749 -109931.9379 301.0497 -162315.6128 -109572.6513 299.4030 159.0272 190.4805 758664.5934 2.9089 2.8841 PRESSURE: 2151600 36.8907 -182.058 -355.039 -182.059 -20.6413 209.607 -355.039 209.607 -62.014 GPRESSURE: 2151600 -44.6849 -134.007 -371.448 -131.423 178.589 212.454 -340.848 171.253 -84.5525 PRESSAVG: 2151600 -17.8087 -46.2947 -7.34534 -46.2947 29.0266 56.4494 -7.34539 56.4494 -2.77587 GPRESSAVG: 2151600 -20.7704 -46.8167 -5.71961 -45.2207 30.0235 57.0778 -7.18879 54.585 -0.306352 TIMING: 2151600 CPU: 6787.68, 0.00314481/step Wall: 6787.68, 0.00314481/step, 2.48825 hours remaining, 237.332031 MB of memory in use. ENERGY: 2151600 3924.4265 20512.4923 14453.3722 237.4141 -203496.0320 2460.8906 0.0000 0.0000 52035.6322 -109871.8041 299.0495 -161907.4363 -109509.0025 298.9968 -15.2548 16.4507 760089.2684 2.8140 2.9822 PRESSURE: 2151800 184.026 100.058 92.5854 100.059 103.565 -91.0735 92.5851 -91.0725 23.8902 GPRESSURE: 2151800 186.961 86.2332 124.914 38.8083 140.114 -37.9486 55.6854 -26.4773 67.3982 PRESSAVG: 2151800 -48.89 -36.0206 -22.4181 -36.0206 74.6483 -2.94966 -22.4181 -2.94966 10.5547 GPRESSAVG: 2151800 -47.5578 -35.5602 -22.3245 -36.1348 74.0877 -3.07854 -21.4618 -2.72194 9.69781 TIMING: 2151800 CPU: 6788.32, 0.0031573/step Wall: 6788.32, 0.0031573/step, 2.49795 hours remaining, 237.332031 MB of memory in use. ENERGY: 2151800 3947.3273 20582.6904 14484.0894 263.1992 -204238.7160 3081.9527 0.0000 0.0000 51879.8776 -109999.5795 298.1544 -161879.4570 -109645.7898 298.4950 103.8273 131.4911 758688.1437 12.1043 12.0759 PRESSURE: 2152000 -342.94 101.873 59.275 101.873 8.10115 293.692 59.2746 293.693 -43.6946 GPRESSURE: 2152000 -335.188 35.3961 57.7414 67.7044 43.1573 273.617 -31.2924 163.375 -8.07729 PRESSAVG: 2152000 -23.7484 -17.2442 -14.8145 -17.2442 51.7626 23.9513 -14.8145 23.9514 -6.43134 GPRESSAVG: 2152000 -24.5777 -17.46 -16.1512 -17.2711 52.1679 22.0815 -15.7305 25.5104 -6.56232 TIMING: 2152000 CPU: 6788.95, 0.00317792/step Wall: 6788.95, 0.00317792/step, 2.51409 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2152000 3967.8153 20312.9160 14495.9816 243.8103 -203910.4139 2632.4682 0.0000 0.0000 52165.1906 -110092.2319 299.7941 -162257.4225 -109724.2024 298.4639 -126.1777 -100.0359 758018.8273 7.1943 7.0093 PRESSURE: 2152200 -73.1442 8.25005 12.0479 8.25077 173.027 190.337 12.0484 190.337 553.318 GPRESSURE: 2152200 133.194 -33.2082 -8.61969 150.037 136.313 81.7653 52.3161 200.714 480.736 PRESSAVG: 2152200 25.314 48.3272 -40.7597 48.3273 -42.1048 53.2191 -40.7597 53.219 10.0177 GPRESSAVG: 2152200 25.9704 49.6455 -39.2032 48.2325 -41.9757 52.8977 -40.0199 53.618 9.82475 TIMING: 2152200 CPU: 6789.58, 0.00315963/step Wall: 6789.58, 0.00315963/step, 2.49944 hours remaining, 237.332031 MB of memory in use. ENERGY: 2152200 4029.0630 20391.1861 14409.7770 250.9134 -204252.9423 2970.0736 0.0000 0.0000 51920.5107 -110281.4187 298.3879 -162201.9294 -109917.0831 298.2054 217.7336 250.0812 757149.2351 -2.2577 -2.0602 LDB: ============= START OF LOAD BALANCING ============== 6801.98 LDB: ============== END OF LOAD BALANCING =============== 6801.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6801.98 LDB: ============= START OF LOAD BALANCING ============== 6802.3 LDB: Largest compute 7077 load 0.035542 is 18.1% of average load 0.195888 LDB: Average compute 0.004407 is 2.2% of average load 0.195888 LDB: TIME 6802.3 LOAD: AVG 0.195888 MAX 0.21622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 6802.3 LOAD: AVG 0.195888 MAX 0.21622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 6802.3 LOAD: AVG 0.195888 MAX 0.21622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 6802.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6802.31 PRESSURE: 2152400 -139.289 -58.9568 -89.1607 -58.9561 -134.397 -50.8478 -89.1611 -50.8487 -95.3558 GPRESSURE: 2152400 -132.232 -51.5547 -37.155 -76.978 -31.0801 -12.6681 -82.353 -156.489 -117.006 PRESSAVG: 2152400 -32.5444 0.634866 -1.70694 0.634777 32.6718 12.8605 -1.70697 12.8604 -0.339888 GPRESSAVG: 2152400 -32.7091 0.754844 -2.87318 -2.27012 31.483 14.6565 -2.48985 11.4817 0.650054 TIMING: 2152400 CPU: 6790.23, 0.00321806/step Wall: 6790.23, 0.00321806/step, 2.54549 hours remaining, 237.843750 MB of memory in use. ENERGY: 2152400 3977.4517 20460.1951 14438.0821 251.1512 -203990.7388 2608.9275 0.0000 0.0000 52218.1668 -110036.7642 300.0985 -162254.9311 -109672.7616 298.1406 -123.0139 -93.4394 759224.0263 -0.0708 -0.1920 PRESSURE: 2152600 -143.986 228.186 -163.385 228.187 -33.6063 -39.9975 -163.386 -39.9966 -459.813 GPRESSURE: 2152600 -28.4533 197.844 -61.8701 154.039 -74.9111 -44.11 -212.648 -124.077 -448.832 PRESSAVG: 2152600 -20.5133 44.2569 -12.3184 44.2569 1.42638 -22.1113 -12.3185 -22.1113 4.31948 GPRESSAVG: 2152600 -20.1396 45.3927 -12.1585 44.2601 2.00034 -23.2853 -12.2127 -20.8556 3.12255 TIMING: 2152600 CPU: 6790.86, 0.00316926/step Wall: 6790.86, 0.00316926/step, 2.50671 hours remaining, 237.843750 MB of memory in use. ENERGY: 2152600 4055.2208 20563.2440 14491.0751 244.1166 -203820.5127 2583.6084 0.0000 0.0000 51791.2114 -110092.0363 297.6448 -161883.2477 -109720.1901 298.7026 -212.4685 -184.0655 760586.5245 -4.9225 -5.0056 PRESSURE: 2152800 -87.8425 -170.03 -206.03 -170.031 -179.502 -33.268 -206.03 -33.269 -205.756 GPRESSURE: 2152800 -49.9404 -99.5969 -172.977 -66.0555 -145.474 -87.5331 -107.931 19.3892 -221.105 PRESSAVG: 2152800 64.7645 -6.93342 -25.2727 -6.93345 -14.1714 5.58172 -25.2727 5.58169 1.44651 GPRESSAVG: 2152800 65.016 -7.45222 -25.7168 -5.81318 -14.3725 5.74053 -23.2034 4.41324 1.60722 TIMING: 2152800 CPU: 6791.49, 0.00315658/step Wall: 6791.49, 0.00315658/step, 2.4965 hours remaining, 237.843750 MB of memory in use. ENERGY: 2152800 4042.0103 20471.4502 14428.5252 233.5371 -203815.4910 2598.3025 0.0000 0.0000 52052.7424 -109988.9234 299.1478 -162041.6658 -109628.3513 299.1054 -157.7004 -138.8398 759363.6414 17.3465 17.4169 PRESSURE: 2153000 -388.069 -29.3606 -88.066 -29.361 -182.935 100.722 -88.0656 100.722 168.97 GPRESSURE: 2153000 -364.197 -125.651 -53.5794 -115.405 -223.824 198.594 -93.7911 151.858 263.627 PRESSAVG: 2153000 3.01266 3.40403 -60.0425 3.40407 -9.54122 2.38425 -60.0426 2.38429 15.8369 GPRESSAVG: 2153000 1.70313 0.311639 -62.2826 2.69463 -7.90696 2.69688 -60.1841 3.33692 16.188 TIMING: 2153000 CPU: 6792.12, 0.00316181/step Wall: 6792.12, 0.00316181/step, 2.50046 hours remaining, 237.843750 MB of memory in use. ENERGY: 2153000 3958.8917 20399.1553 14405.8603 243.8136 -203190.2925 2361.9139 0.0000 0.0000 52076.8206 -109743.8370 299.2862 -161820.6576 -109369.4473 298.8675 -134.0110 -108.1315 761406.2467 3.1028 3.3281 PRESSURE: 2153200 103.175 -46.9502 193.597 -46.9494 139.874 -115.354 193.597 -115.352 210.699 GPRESSURE: 2153200 119.398 -124.483 212.398 -75.2305 121.394 -137.502 142.708 -195.362 302.818 PRESSAVG: 2153200 -44.7507 -25.7978 -25.2932 -25.7978 115.502 22.4576 -25.2932 22.4576 23.4467 GPRESSAVG: 2153200 -44.934 -22.8786 -24.3171 -26.4497 116.064 24.2773 -27.2019 22.1853 23.337 TIMING: 2153200 CPU: 6792.76, 0.00316799/step Wall: 6792.76, 0.00316799/step, 2.50517 hours remaining, 237.843750 MB of memory in use. ENERGY: 2153200 4031.6639 20532.8843 14437.9307 254.1286 -203850.4813 3006.3687 0.0000 0.0000 51872.1182 -109715.3870 298.1098 -161587.5052 -109349.3284 298.9854 151.2495 181.2033 759697.7532 31.3994 31.4891 PRESSURE: 2153400 157.489 -89.2204 -90.8037 -89.2207 -8.81079 -90.4913 -90.804 -90.4903 -10.7354 GPRESSURE: 2153400 199.459 -65.806 18.3312 -39.9047 25.0618 -61.5391 -204.171 -89.2292 11.1272 PRESSAVG: 2153400 -33.8469 -7.73721 -17.5566 -7.73731 26.1301 -29.9705 -17.5565 -29.9704 4.24791 GPRESSAVG: 2153400 -31.2436 -9.01967 -16.0893 -5.34289 24.6946 -29.7898 -15.8301 -30.7021 3.35627 TIMING: 2153400 CPU: 6793.39, 0.00316301/step Wall: 6793.39, 0.00316301/step, 2.50106 hours remaining, 237.843750 MB of memory in use. ENERGY: 2153400 4015.7366 20445.8552 14433.6899 231.4251 -203585.4916 2659.0772 0.0000 0.0000 52091.9486 -109707.7590 299.3731 -161799.7076 -109344.8038 299.0475 45.9810 78.5492 760659.1620 -1.1563 -1.0642 PRESSURE: 2153600 33.8333 -195.064 -142.334 -195.064 -84.438 -19.0613 -142.334 -19.0604 -191.97 GPRESSURE: 2153600 74.6945 -163.379 -123.809 -215.873 -16.7986 34.4293 -121.619 103.595 -220.916 PRESSAVG: 2153600 -49.8697 -56.5723 -24.4865 -56.5723 10.3929 22.3545 -24.4865 22.3543 9.77456 GPRESSAVG: 2153600 -50.0152 -56.6232 -24.3628 -55.3839 10.6259 21.1068 -24.6366 23.1923 10.0784 TIMING: 2153600 CPU: 6794.02, 0.00316147/step Wall: 6794.02, 0.00316147/step, 2.49967 hours remaining, 237.843750 MB of memory in use. ENERGY: 2153600 4032.3160 20504.7474 14513.1921 248.7524 -203737.4606 2675.7659 0.0000 0.0000 52264.3939 -109498.2929 300.3642 -161762.6868 -109136.1615 299.7795 -80.8583 -54.3400 759270.4783 -9.9008 -9.7703 PRESSURE: 2153800 138.77 -6.72695 176.256 -6.72666 1.03668 44.4475 176.256 44.4478 -156.274 GPRESSURE: 2153800 147.234 -46.6645 129.038 -94.3775 75.1634 59.7075 210.862 75.1869 -170.545 PRESSAVG: 2153800 -52.8128 51.0567 5.60123 51.0568 68.7478 14.0835 5.60121 14.0836 27.591 GPRESSAVG: 2153800 -54.4507 52.0084 5.67242 47.5356 69.7107 14.0073 5.46961 13.3534 28.5421 TIMING: 2153800 CPU: 6794.65, 0.00315716/step Wall: 6794.65, 0.00315716/step, 2.49609 hours remaining, 237.843750 MB of memory in use. ENERGY: 2153800 3961.4071 20587.8089 14443.0152 243.9053 -203253.8039 2545.6254 0.0000 0.0000 52217.6697 -109254.3724 300.0957 -161472.0421 -108879.1828 300.0253 -5.4890 17.2840 760778.7789 14.5087 14.6007 PRESSURE: 2154000 -240.607 6.72636 211.362 6.7261 359.76 234.927 211.362 234.927 353.425 GPRESSURE: 2154000 -59.7594 19.7415 152.63 67.2434 246.515 142.908 210.009 293.015 367.28 PRESSAVG: 2154000 24.4404 25.7577 -24.0407 25.7577 28.1579 13.8875 -24.0407 13.8874 5.5203 GPRESSAVG: 2154000 26.0056 25.1919 -24.3653 28.9584 27.5864 15.075 -23.6675 13.4266 5.05546 TIMING: 2154000 CPU: 6795.28, 0.0031476/step Wall: 6795.28, 0.0031476/step, 2.48835 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2154000 3898.3697 20648.0604 14422.9655 238.5760 -203388.4645 2603.5603 0.0000 0.0000 52260.7077 -109316.2249 300.3430 -161576.9326 -108947.3246 300.1880 157.5257 184.6787 761089.7943 19.3729 19.5492 PRESSURE: 2154200 168.957 -56.0112 -8.11683 -56.0113 438.083 83.4667 -8.1166 83.4659 125.415 GPRESSURE: 2154200 211.942 -65.6723 -62.9744 38.8999 422.794 68.9938 45.4237 188.681 155.977 PRESSAVG: 2154200 18.7631 8.34942 -5.41521 8.34933 -8.84316 -3.17154 -5.41516 -3.17147 -9.37091 GPRESSAVG: 2154200 17.8325 7.64946 -6.18717 7.63316 -9.58563 -4.98096 -4.74811 -2.82852 -8.38683 TIMING: 2154200 CPU: 6795.91, 0.00315331/step Wall: 6795.91, 0.00315331/step, 2.49269 hours remaining, 237.843750 MB of memory in use. ENERGY: 2154200 3905.7902 20746.3575 14492.7699 266.1424 -203225.7410 2388.5907 0.0000 0.0000 52258.4246 -109167.6657 300.3299 -161426.0902 -108807.1045 300.0903 244.1518 263.5712 761109.2414 0.1830 -0.0467 PRESSURE: 2154400 -102.237 -2.51946 -34.8635 -2.5202 -167.621 -124.721 -34.8628 -124.72 -142.469 GPRESSURE: 2154400 -37.8323 -101.712 37.3838 -83.3172 -156.876 -12.4742 -21.1104 -45.0279 -136.582 PRESSAVG: 2154400 -28.3505 11.8915 -9.47113 11.8915 27.6871 57.2493 -9.47112 57.2493 -10.9653 GPRESSAVG: 2154400 -26.7761 12.5752 -10.3963 11.4601 26.9462 58.255 -10.0717 59.738 -11.3659 TIMING: 2154400 CPU: 6796.55, 0.00316359/step Wall: 6796.55, 0.0031636/step, 2.50065 hours remaining, 237.843750 MB of memory in use. ENERGY: 2154400 3922.6958 20562.3619 14402.8544 221.3686 -203134.0385 2661.1270 0.0000 0.0000 52321.1450 -109042.4859 300.6903 -161363.6309 -108673.5909 300.1799 -137.4425 -110.4300 764231.5094 -3.8762 -3.7319 PRESSURE: 2154600 -293.87 35.6162 -70.1091 35.6163 -250.011 185.529 -70.1093 185.529 228.925 GPRESSURE: 2154600 -236.856 72.0342 -66.5119 12.5441 -196.433 284.112 -137.878 116.477 219.868 PRESSAVG: 2154600 1.13948 -21.1689 -15.9793 -21.1688 -0.561891 -7.6091 -15.9792 -7.60913 -7.30715 GPRESSAVG: 2154600 0.235171 -22.7432 -14.8152 -19.892 0.354693 -9.406 -17.6779 -8.54737 -6.90411 TIMING: 2154600 CPU: 6797.18, 0.00316474/step Wall: 6797.18, 0.00316474/step, 2.50138 hours remaining, 237.843750 MB of memory in use. ENERGY: 2154600 4017.3638 20474.7884 14438.6802 234.2293 -203131.0215 2660.1316 0.0000 0.0000 52315.1269 -108990.7013 300.6558 -161305.8282 -108626.7378 300.5667 -104.9852 -71.1402 761967.6795 -2.2432 -2.1047 PRESSURE: 2154800 154.282 -158.997 -170.013 -158.996 2.22959 -103.3 -170.012 -103.299 129.925 GPRESSURE: 2154800 288.949 -74.1482 -272.607 -71.069 -23.9211 -79.679 -79.2353 -91.3683 110.172 PRESSAVG: 2154800 23.9124 -56.0726 -13.2053 -56.0726 7.43126 45.5663 -13.2053 45.5663 -1.50885 GPRESSAVG: 2154800 23.2734 -55.3801 -13.8625 -56.4778 7.42632 46.2405 -10.4318 47.6736 -1.75233 TIMING: 2154800 CPU: 6797.81, 0.00314796/step Wall: 6797.81, 0.00314796/step, 2.48794 hours remaining, 237.843750 MB of memory in use. ENERGY: 2154800 3930.6412 20580.8733 14455.1015 241.2004 -202660.3740 2470.1878 0.0000 0.0000 52043.2825 -108939.0873 299.0935 -160982.3699 -108575.5351 300.2423 95.4791 125.0665 763130.6689 9.9449 9.6491 PRESSURE: 2155000 278.01 -326.173 70.5121 -326.173 18.6516 -52.8993 70.512 -52.8993 259.508 GPRESSURE: 2155000 273.656 -297.599 28.3847 -250.293 18.865 -39.1881 37.1641 -114.394 341.9 PRESSAVG: 2155000 6.36645 3.89916 16.6603 3.89918 -6.97648 12.0561 16.6603 12.0561 -1.28527 GPRESSAVG: 2155000 5.58235 4.5203 17.3289 2.35301 -6.02227 13.7567 17.8572 10.9625 -1.04867 TIMING: 2155000 CPU: 6798.44, 0.00316421/step Wall: 6798.44, 0.00316421/step, 2.50061 hours remaining, 237.843750 MB of memory in use. ENERGY: 2155000 3893.2807 20449.3521 14448.3331 242.5061 -203175.5965 2888.9839 0.0000 0.0000 52225.6500 -109027.4906 300.1415 -161253.1406 -108663.6542 299.7864 185.3899 211.4736 762182.4546 -0.6318 -0.4962 PRESSURE: 2155200 -147.22 236.927 -125.143 236.927 -377.847 -64.8485 -125.142 -64.8491 -368.384 GPRESSURE: 2155200 -157.188 153.355 -170.029 224.724 -332.028 -77.2757 63.0342 0.421713 -335.772 PRESSAVG: 2155200 23.6489 -37.3238 24.0192 -37.3238 0.728218 12.4809 24.0192 12.4808 23.3886 GPRESSAVG: 2155200 24.9141 -38.5878 22.9796 -37.6078 0.930367 10.9077 22.8771 13.3925 21.6701 TIMING: 2155200 CPU: 6799.08, 0.00317785/step Wall: 6799.08, 0.00317785/step, 2.51121 hours remaining, 237.843750 MB of memory in use. ENERGY: 2155200 4073.3729 20494.6030 14480.3789 243.6036 -202771.0013 2243.3802 0.0000 0.0000 52149.0715 -109086.5912 299.7014 -161235.6626 -108725.6192 299.8936 -297.8171 -274.9958 761817.1942 15.9219 15.8382 PRESSURE: 2155400 -281.43 -166.951 -42.3655 -166.952 -360.126 -71.8283 -42.3651 -71.8293 -89.3786 GPRESSURE: 2155400 -208.213 -176.204 18.151 -215.496 -341.83 -38.9029 -51.0205 -198.688 -96.7547 PRESSAVG: 2155400 -17.4437 -6.30481 15.3105 -6.30481 17.9919 21.7398 15.3106 21.7398 -8.74075 GPRESSAVG: 2155400 -17.2436 -5.37406 15.9331 -3.8597 16.589 22.2716 15.9879 20.9471 -7.25222 TIMING: 2155400 CPU: 6799.71, 0.0031611/step Wall: 6799.71, 0.0031611/step, 2.49779 hours remaining, 237.843750 MB of memory in use. ENERGY: 2155400 3984.6411 20525.4299 14399.2988 206.4608 -203058.4616 2358.4986 0.0000 0.0000 52213.6332 -109370.4992 300.0725 -161584.1324 -108995.1765 299.2259 -243.6449 -215.5991 761808.0093 -2.7309 -2.6356 PRESSURE: 2155600 -253.91 218.005 16.7917 218.005 -258.23 -103.379 16.7924 -103.38 99.865 GPRESSURE: 2155600 -217.732 144.629 -6.08696 138.768 -254.96 -151.498 -33.6086 -182.766 149.881 PRESSAVG: 2155600 39.4352 12.834 -28.786 12.8339 -21.2838 23.1334 -28.7859 23.1333 26.4933 GPRESSAVG: 2155600 38.7327 12.171 -28.0077 10.3602 -19.7765 23.4789 -28.6322 22.3271 25.6637 TIMING: 2155600 CPU: 6800.35, 0.00317708/step Wall: 6800.35, 0.00317708/step, 2.51025 hours remaining, 237.843750 MB of memory in use. ENERGY: 2155600 3957.7800 20498.2679 14476.0235 258.4589 -202914.2561 2150.1195 0.0000 0.0000 51752.5795 -109821.0268 297.4228 -161573.6063 -109460.6445 298.9820 -137.4248 -107.6034 760537.9698 14.8816 14.8733 PRESSURE: 2155800 71.4867 -174.374 -209.748 -174.375 -73.4269 -110.171 -209.749 -110.171 17.095 GPRESSURE: 2155800 122.756 -100.332 -122.881 -177.099 -58.6494 -178.593 -257.884 9.99893 12.4943 PRESSAVG: 2155800 -12.4041 -18.7639 33.0832 -18.7638 -11.8169 18.7023 33.0832 18.7023 1.28085 GPRESSAVG: 2155800 -11.8336 -17.0507 33.5876 -18.9693 -12.6499 18.4068 32.1122 19.8784 1.70137 TIMING: 2155800 CPU: 6800.98, 0.00317582/step Wall: 6800.98, 0.00317582/step, 2.50907 hours remaining, 237.843750 MB of memory in use. ENERGY: 2155800 4040.9719 20250.8859 14505.2308 258.6869 -203365.4890 2607.9735 0.0000 0.0000 51971.2274 -109730.5125 298.6794 -161701.7400 -109372.5479 298.2830 5.0516 25.5336 760137.7092 -7.6467 -7.5940 PRESSURE: 2156000 318.664 32.8774 -238.547 32.878 283.453 177.349 -238.547 177.349 -235.235 GPRESSURE: 2156000 345.383 69.4855 -169.624 99.6666 363.07 254.959 -204.134 60.2835 -262.859 PRESSAVG: 2156000 23.7717 -16.885 9.98652 -16.885 -9.06605 45.159 9.98657 45.159 22.3982 GPRESSAVG: 2156000 22.5772 -17.4264 8.93991 -16.8227 -9.12103 45.8384 9.29215 46.7479 23.3059 TIMING: 2156000 CPU: 6801.61, 0.00316541/step Wall: 6801.61, 0.00316541/step, 2.50068 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2156000 4007.0356 20443.8995 14496.1285 250.7405 -203464.4833 2641.2250 0.0000 0.0000 51860.5267 -109764.9275 298.0432 -161625.4542 -109402.4497 298.5374 122.2939 148.5315 760644.7466 12.3680 12.2540 PRESSURE: 2156200 -36.2876 -223.118 -100.743 -223.117 236.264 -155.145 -100.742 -155.144 -491.702 GPRESSURE: 2156200 51.8368 -138.409 -33.2824 -291.343 172.638 -147.121 40.8677 -124.196 -426.898 PRESSAVG: 2156200 -3.02901 -13.6434 -19.9614 -13.6434 -0.481469 59.2742 -19.9614 59.2741 -3.26511 GPRESSAVG: 2156200 -3.77885 -14.0885 -18.9562 -15.0539 0.540198 58.0999 -17.1591 57.7861 -4.00196 TIMING: 2156200 CPU: 6802.25, 0.00316691/step Wall: 6802.25, 0.00316691/step, 2.50169 hours remaining, 237.843750 MB of memory in use. ENERGY: 2156200 3969.1337 20480.4720 14388.7976 257.3929 -203378.4375 2586.6855 0.0000 0.0000 51935.8048 -109760.1511 298.4758 -161695.9558 -109400.7965 298.3981 -97.2421 -67.4744 761763.7365 -2.2585 -2.4135 LDB: ============= START OF LOAD BALANCING ============== 6814.65 LDB: ============== END OF LOAD BALANCING =============== 6814.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6814.65 LDB: ============= START OF LOAD BALANCING ============== 6814.97 LDB: Largest compute 7076 load 0.035023 is 17.9% of average load 0.195908 LDB: Average compute 0.004409 is 2.3% of average load 0.195908 LDB: TIME 6814.97 LOAD: AVG 0.195908 MAX 0.213682 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.344 MB LDB: TIME 6814.97 LOAD: AVG 0.195908 MAX 0.213682 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.547 MB LDB: TIME 6814.97 LOAD: AVG 0.195908 MAX 0.213682 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.547 MB LDB: ============== END OF LOAD BALANCING =============== 6814.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6814.98 PRESSURE: 2156400 43.1319 -112.955 114.419 -112.954 72.8101 106.083 114.419 106.084 413.443 GPRESSURE: 2156400 39.7067 -31.9638 101.598 -8.53361 121.27 108.613 -23.8568 119.395 449.893 PRESSAVG: 2156400 -9.81953 -36.6227 14.6998 -36.6227 44.4875 18.7444 14.6998 18.7445 -14.853 GPRESSAVG: 2156400 -9.01422 -35.9624 13.8667 -33.2437 42.9618 19.008 12.353 18.2676 -14.2934 TIMING: 2156400 CPU: 6802.89, 0.00323187/step Wall: 6802.89, 0.00323187/step, 2.55282 hours remaining, 239.496094 MB of memory in use. ENERGY: 2156400 3884.3576 20445.2280 14334.6428 234.0745 -203297.8518 2569.8714 0.0000 0.0000 52107.3276 -109722.3498 299.4615 -161829.6774 -109364.1689 298.7367 176.4617 203.6232 761664.1437 6.6050 6.5514 PRESSURE: 2156600 -193.738 -31.1678 82.5525 -31.168 99.9449 283.12 82.5524 283.119 333.565 GPRESSURE: 2156600 -99.6382 -117.908 57.3881 -71.9989 154.289 261.585 95.0188 166.692 269.17 PRESSAVG: 2156600 -4.34295 13.995 2.19851 13.9951 -2.56763 -17.2497 2.19852 -17.2497 -5.42579 GPRESSAVG: 2156600 -4.08574 12.4534 1.83128 13.6955 -2.3691 -16.7699 1.93739 -19.2263 -6.25577 TIMING: 2156600 CPU: 6803.53, 0.00318912/step Wall: 6803.53, 0.00318912/step, 2.51887 hours remaining, 239.699219 MB of memory in use. ENERGY: 2156600 4010.2126 20308.8878 14413.1085 251.6424 -203241.8131 2718.7454 0.0000 0.0000 51923.8525 -109615.3638 298.4071 -161539.2163 -109251.0390 298.6553 79.9237 107.9405 761150.7747 -4.1121 -4.2369 PRESSURE: 2156800 -328.616 36.7018 -362.433 36.7016 -176.978 -122.39 -362.433 -122.39 -304.174 GPRESSURE: 2156800 -243.087 -6.97121 -397.484 172.905 -231.774 -138.131 -196.802 -10.8848 -238.91 PRESSAVG: 2156800 -18.348 30.1555 -20.1099 30.1555 14.9839 24.6513 -20.1098 24.6513 -22.5891 GPRESSAVG: 2156800 -18.8216 31.5033 -20.3014 29.2415 15.8717 23.0227 -18.0643 25.7052 -23.1771 TIMING: 2156800 CPU: 6804.17, 0.00317082/step Wall: 6804.17, 0.00317082/step, 2.50425 hours remaining, 239.699219 MB of memory in use. ENERGY: 2156800 3926.7666 20496.0499 14447.2421 239.1492 -202665.0550 2080.2149 0.0000 0.0000 51641.5364 -109834.0959 296.7846 -161475.6322 -109485.3209 298.6576 -269.9227 -237.9236 763637.6206 -8.6511 -8.7090 PRESSURE: 2157000 26.2673 -291.977 -122.6 -291.976 77.8187 -148.333 -122.601 -148.332 332.176 GPRESSURE: 2157000 71.1659 -192.231 -102.16 -276.459 114.611 -153.727 -108.761 -95.2802 344.229 PRESSAVG: 2157000 35.4088 8.21372 11.0775 8.21373 -10.0825 24.0277 11.0775 24.0277 -5.08384 GPRESSAVG: 2157000 35.8898 8.14355 12.638 7.19954 -11.2646 28.4149 9.47039 24.328 -4.48265 TIMING: 2157000 CPU: 6804.8, 0.00317883/step Wall: 6804.8, 0.00317883/step, 2.51039 hours remaining, 239.699219 MB of memory in use. ENERGY: 2157000 3950.1358 20541.7254 14466.7317 232.5832 -203181.9665 2407.4175 0.0000 0.0000 51818.0278 -109765.3451 297.7989 -161583.3729 -109404.0710 298.3660 145.4207 176.6687 761867.7890 6.7475 6.7142 PRESSURE: 2157200 152.663 23.8354 229.44 23.8342 115.296 -48.8438 229.44 -48.8437 -207.106 GPRESSURE: 2157200 128.486 72.6363 164.109 136.943 179.007 -0.516155 252.995 -64.2646 -149.562 PRESSAVG: 2157200 33.8554 53.2002 -21.1766 53.2001 -13.0619 11.2946 -21.1767 11.2947 6.39244 GPRESSAVG: 2157200 33.3976 53.4658 -24.2368 52.2901 -12.0386 9.25856 -19.9624 11.3277 6.14651 TIMING: 2157200 CPU: 6805.44, 0.00319061/step Wall: 6805.44, 0.00319061/step, 2.51952 hours remaining, 239.699219 MB of memory in use. ENERGY: 2157200 3901.2463 20467.8877 14521.1079 242.9879 -203516.4567 2417.2436 0.0000 0.0000 52105.2714 -109860.7119 299.4497 -161965.9832 -109493.6376 298.8364 20.2844 52.6440 760630.3319 9.0620 9.1685 PRESSURE: 2157400 -326.452 -14.3445 74.2559 -14.3444 -58.903 55.4741 74.2564 55.4758 63.4251 GPRESSURE: 2157400 -207.297 -4.43425 68.8339 132.456 -39.0765 75.5255 58.1815 17.7063 15.9158 PRESSAVG: 2157400 -14.6076 29.0842 31.2796 29.0842 -7.356 -32.4326 31.2796 -32.4325 -5.87763 GPRESSAVG: 2157400 -13.4654 28.7057 33.3619 27.9768 -9.01678 -33.726 28.1611 -30.8386 -4.99882 TIMING: 2157400 CPU: 6806.07, 0.00316106/step Wall: 6806.07, 0.00316106/step, 2.496 hours remaining, 239.699219 MB of memory in use. ENERGY: 2157400 3946.2990 20431.5270 14493.9959 256.5460 -203602.8860 2636.3182 0.0000 0.0000 52109.3743 -109728.8256 299.4733 -161838.1999 -109360.9414 298.8957 -107.3101 -76.8194 762510.5624 -9.2804 -9.1603 PRESSURE: 2157600 -84.504 71.3102 142.372 71.31 -531.673 80.1193 142.373 80.1202 -312.165 GPRESSURE: 2157600 -141.517 164.433 45.4216 162.178 -488.798 9.60418 37.7274 -71.0346 -219.332 PRESSAVG: 2157600 -39.5106 52.5028 15.8363 52.5028 14.0427 -24.3852 15.8363 -24.3852 -4.24063 GPRESSAVG: 2157600 -39.8149 52.6388 14.3193 56.0443 15.1737 -24.1956 18.148 -25.1215 -4.63128 TIMING: 2157600 CPU: 6806.71, 0.00316986/step Wall: 6806.71, 0.00316986/step, 2.50278 hours remaining, 239.699219 MB of memory in use. ENERGY: 2157600 3952.9574 20216.3230 14476.4631 249.6462 -203407.9306 2477.9241 0.0000 0.0000 52194.7074 -109839.9093 299.9637 -162034.6167 -109470.0899 298.6600 -309.4474 -283.2160 762053.1718 -9.9029 -9.7575 PRESSURE: 2157800 27.5705 77.3766 225.626 77.3754 -67.8926 -109.986 225.627 -109.986 -200.757 GPRESSURE: 2157800 37.3303 101.002 146.885 1.30381 -5.07252 -159.953 234.559 -122.413 -184.277 PRESSAVG: 2157800 -46.123 -8.01759 -24.2256 -8.01761 57.5236 38.2269 -24.2256 38.2269 -4.47446 GPRESSAVG: 2157800 -47.1314 -8.70296 -23.1853 -9.55146 57.4995 37.4812 -25.5187 38.0632 -3.31901 TIMING: 2157800 CPU: 6807.34, 0.0031576/step Wall: 6807.34, 0.0031576/step, 2.49292 hours remaining, 239.699219 MB of memory in use. ENERGY: 2157800 4047.1833 20222.7200 14421.4550 250.5687 -203468.7213 2537.9170 0.0000 0.0000 51999.2199 -109989.6574 298.8402 -161988.8773 -109629.0415 298.5960 -80.3595 -50.6730 761685.4005 2.3087 2.3497 PRESSURE: 2158000 108.303 200.543 -252.316 200.544 231.962 189.713 -252.316 189.713 115.15 GPRESSURE: 2158000 101.597 194.864 -206.133 167.736 302.064 192.723 -212.049 160.848 144.049 PRESSAVG: 2158000 -15.4901 62.6498 -0.161964 62.6498 49.2716 -2.97605 -0.161995 -2.97601 3.64548 GPRESSAVG: 2158000 -14.62 63.3813 0.122644 63.0634 50.1889 -3.41671 3.64651 -2.53682 2.58336 TIMING: 2158000 CPU: 6807.97, 0.00315975/step Wall: 6807.97, 0.00315976/step, 2.49445 hours remaining, 239.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2158000 3986.6917 20218.3356 14450.7069 252.7680 -203477.2192 2711.1631 0.0000 0.0000 51968.4947 -109889.0592 298.6637 -161857.5539 -109526.5210 298.5425 151.8047 182.5699 760905.3133 12.4757 12.7174 PRESSURE: 2158200 2.85684 -25.6208 -212.915 -25.621 -406.507 -71.2552 -212.915 -71.2552 -97.2212 GPRESSURE: 2158200 16.9091 29.949 -262.187 -50.5995 -290.559 -61.9936 -213.464 -51.3468 -145.845 PRESSAVG: 2158200 -43.9936 -22.1701 -36.4785 -22.1702 47.1538 -2.86235 -36.4786 -2.86234 -2.3484 GPRESSAVG: 2158200 -44.502 -22.2318 -36.2531 -20.8565 47.7881 -0.631058 -38.8072 -4.46055 -2.33132 TIMING: 2158200 CPU: 6808.61, 0.00318593/step Wall: 6808.61, 0.00318593/step, 2.51494 hours remaining, 239.699219 MB of memory in use. ENERGY: 2158200 4055.7706 20525.6973 14418.9880 263.8035 -203542.4222 2636.6286 0.0000 0.0000 51998.8771 -109642.6571 298.8383 -161641.5342 -109284.2819 299.0186 -166.9572 -139.8317 761465.1074 0.2706 0.3183 PRESSURE: 2158400 -302.046 26.7692 141.581 26.7681 -462.941 236.173 141.581 236.173 -69.4461 GPRESSURE: 2158400 -170.999 12.9224 94.6376 -34.9601 -476.472 262.679 61.4906 187.24 -74.9163 PRESSAVG: 2158400 -32.2757 25.681 1.63845 25.681 -14.147 -10.6997 1.63841 -10.6998 -11.9702 GPRESSAVG: 2158400 -30.9329 25.0412 1.67497 23.0933 -15.5842 -10.3027 2.1188 -9.18966 -11.1926 TIMING: 2158400 CPU: 6809.25, 0.00319219/step Wall: 6809.25, 0.00319219/step, 2.5197 hours remaining, 239.699219 MB of memory in use. ENERGY: 2158400 3926.4119 20345.4285 14455.6396 250.4784 -203100.2309 2510.5086 0.0000 0.0000 51961.0389 -109650.7252 298.6208 -161611.7641 -109289.9744 299.1782 -278.1444 -240.7956 762782.3484 -19.4643 -19.2366 PRESSURE: 2158600 -125.084 -155.471 -45.3796 -155.471 -91.4603 137.313 -45.3801 137.314 14.7004 GPRESSURE: 2158600 -122.847 -160.323 -70.7126 -180.382 -12.2237 142.413 -249.919 104.832 8.32544 PRESSAVG: 2158600 69.7362 -38.4319 -0.231462 -38.4319 -24.6614 37.8272 -0.231509 37.8271 13.7178 GPRESSAVG: 2158600 68.7487 -40.0466 -0.734724 -34.7915 -22.5354 37.0896 -1.86816 36.58 12.7607 TIMING: 2158600 CPU: 6809.88, 0.00318956/step Wall: 6809.88, 0.00318956/step, 2.51745 hours remaining, 239.699219 MB of memory in use. ENERGY: 2158600 4033.0417 20497.0878 14472.6184 244.3155 -203502.5000 2617.6323 0.0000 0.0000 51968.7421 -109669.0624 298.6651 -161637.8045 -109324.8441 298.7992 -67.2812 -42.2485 759016.3745 19.5975 19.6580 PRESSURE: 2158800 -50.8904 141.487 -22.6571 141.487 -304.562 -151.964 -22.6568 -151.966 -181.044 GPRESSURE: 2158800 -85.8209 145.883 12.5144 143.921 -202.68 -190.703 87.8257 10.6843 -161.86 PRESSAVG: 2158800 -73.9844 -36.2817 6.99128 -36.2817 50.0816 33.3979 6.99121 33.3978 11.6083 GPRESSAVG: 2158800 -73.2772 -35.4208 7.69792 -37.0737 49.6289 33.4695 6.93136 35.1958 11.8511 TIMING: 2158800 CPU: 6810.52, 0.00318682/step Wall: 6810.52, 0.00318682/step, 2.51511 hours remaining, 239.699219 MB of memory in use. ENERGY: 2158800 4014.2060 20337.4008 14477.4781 257.4694 -203909.9715 2824.0884 0.0000 0.0000 52159.2046 -109840.1242 299.7597 -161999.3287 -109480.5228 298.4923 -178.8323 -150.1204 760608.9377 -4.0982 -3.9324 PRESSURE: 2159000 -9.14009 -80.1265 18.6347 -80.127 322.22 -242.045 18.6351 -242.045 289.337 GPRESSURE: 2159000 31.3352 -106.591 -52.5348 -49.5865 345.174 -192.781 10.2291 -252.396 314.3 PRESSAVG: 2159000 -39.3123 -38.3652 46.8195 -38.3652 -8.75556 -28.7958 46.8195 -28.7958 4.74476 GPRESSAVG: 2159000 -38.8742 -35.6831 46.397 -40.0493 -9.95673 -28.433 47.8528 -30.3991 5.43696 TIMING: 2159000 CPU: 6811.16, 0.0031963/step Wall: 6811.16, 0.0031963/step, 2.52241 hours remaining, 239.699219 MB of memory in use. ENERGY: 2159000 3962.4713 20482.2409 14445.7698 255.7769 -203849.8490 2792.1903 0.0000 0.0000 51811.3099 -110100.0899 297.7603 -161911.3997 -109734.5506 298.3840 200.8056 230.2698 761989.9797 -14.4410 -14.4646 PRESSURE: 2159200 270.159 -24.8562 105.42 -24.8555 64.5646 266.008 105.422 266.009 104.682 GPRESSURE: 2159200 257.607 67.0916 182.203 -46.8693 98.3959 223.286 202.619 213.112 153.691 PRESSAVG: 2159200 -45.9256 -47.0249 25.9798 -47.0249 50.9346 36.1295 25.9799 36.1295 -29.5555 GPRESSAVG: 2159200 -46.2813 -48.4528 26.3152 -43.8588 52.7735 32.9721 26.0313 37.3992 -30.3817 TIMING: 2159200 CPU: 6811.8, 0.00319876/step Wall: 6811.8, 0.00319876/step, 2.52418 hours remaining, 239.699219 MB of memory in use. ENERGY: 2159200 3985.2883 20414.4997 14433.7913 243.4316 -203170.3666 2516.0938 0.0000 0.0000 51656.7487 -109920.5133 296.8720 -161577.2620 -109551.9524 298.2603 146.4685 169.8978 761738.5215 -8.1821 -7.9631 PRESSURE: 2159400 324.811 129.029 -8.08436 129.03 150.695 38.8687 -8.0841 38.8691 132.974 GPRESSURE: 2159400 381.453 173.113 19.2473 73.1662 178.93 22.4952 23.9246 104.427 113.046 PRESSAVG: 2159400 14.7731 0.772578 32.3307 0.772525 32.5771 -47.9927 32.3307 -47.9927 14.5401 GPRESSAVG: 2159400 15.8762 1.13143 33.6303 0.614587 30.5025 -44.9259 31.8614 -47.6136 15.4434 TIMING: 2159400 CPU: 6812.44, 0.00318652/step Wall: 6812.44, 0.00318652/step, 2.51434 hours remaining, 239.699219 MB of memory in use. ENERGY: 2159400 4006.0821 20535.1407 14484.8179 235.2750 -203911.6542 2899.1359 0.0000 0.0000 52034.7442 -109716.4585 299.0444 -161751.2026 -109364.2885 298.1177 202.8270 224.4764 761848.2637 20.6301 20.6074 PRESSURE: 2159600 269.38 49.8717 86.3195 49.8712 -40.5635 -107.79 86.3191 -107.79 -43.5817 GPRESSURE: 2159600 324.746 121.036 137.582 -37.3555 -61.694 -85.0968 3.31036 -159.976 0.351769 PRESSAVG: 2159600 25.2989 2.33378 5.30937 2.33378 -15.3166 41.2418 5.30931 41.2418 27.1254 GPRESSAVG: 2159600 24.704 0.583451 4.98842 0.959647 -14.8163 40.2633 5.75503 39.6774 26.9277 TIMING: 2159600 CPU: 6813.07, 0.00318101/step Wall: 6813.07, 0.00318101/step, 2.50982 hours remaining, 239.699219 MB of memory in use. ENERGY: 2159600 4014.6281 20365.9746 14470.7193 242.3958 -203570.9593 2683.2280 0.0000 0.0000 52010.1938 -109783.8197 298.9033 -161794.0135 -109422.6258 298.4020 61.7451 87.8012 762380.6939 12.3692 12.2718 PRESSURE: 2159800 -137.908 -15.5953 -99.7233 -15.5951 -20.4592 -87.3161 -99.7225 -87.3172 -179.718 GPRESSURE: 2159800 -156.501 -129.73 -106.42 30.251 124.771 -31.7466 -186.156 -108.807 -224.143 PRESSAVG: 2159800 -14.3152 16.2338 -51.176 16.2338 71.4142 26.6426 -51.1759 26.6427 -24.8976 GPRESSAVG: 2159800 -15.6386 16.8429 -52.3867 17.439 72.7579 27.6216 -50.9443 27.4716 -24.8945 TIMING: 2159800 CPU: 6813.71, 0.00319057/step Wall: 6813.71, 0.00319057/step, 2.51718 hours remaining, 239.699219 MB of memory in use. ENERGY: 2159800 3977.8900 20402.8945 14397.6501 244.2209 -203547.7056 2655.9859 0.0000 0.0000 52059.4151 -109809.6491 299.1862 -161869.0642 -109446.0479 298.4722 -112.6948 -85.2911 761173.3048 10.7338 10.7416 PRESSURE: 2160000 -107.086 -80.1992 -101.071 -80.2 101.354 108.362 -101.07 108.362 -471.288 GPRESSURE: 2160000 -53.483 -104.759 -61.7908 -66.8238 89.7832 59.7568 9.03907 197.432 -423.579 PRESSAVG: 2160000 -18.6757 12.9639 -44.6122 12.9639 12.0522 21.6293 -44.6123 21.6293 -9.09866 GPRESSAVG: 2160000 -18.4463 12.8076 -43.6112 11.057 10.7866 21.4363 -44.7509 23.6122 -8.66478 TIMING: 2160000 CPU: 6814.35, 0.00319427/step Wall: 6814.35, 0.00319427/step, 2.51992 hours remaining, 239.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2160000 4040.5931 20550.1462 14518.4515 250.8897 -203741.5646 2624.8824 0.0000 0.0000 52155.1950 -109601.4066 299.7366 -161756.6017 -109250.1147 298.9431 -159.0068 -129.0929 760253.4354 -5.2407 -5.4415 PRESSURE: 2160200 -144.401 -23.3401 40.768 -23.3403 -102.276 357.832 40.7685 357.832 -84.701 GPRESSURE: 2160200 -60.6279 -82.502 -18.4865 -111.703 -162.346 265.967 26.8525 185.181 -11.6278 PRESSAVG: 2160200 -22.0979 -28.1513 -12.6172 -28.1513 59.242 -24.3016 -12.6172 -24.3017 2.46665 GPRESSAVG: 2160200 -22.1468 -28.3592 -13.8071 -26.9892 58.784 -25.2234 -11.117 -26.9797 2.60168 TIMING: 2160200 CPU: 6814.98, 0.00315686/step Wall: 6814.98, 0.00315686/step, 2.49023 hours remaining, 239.699219 MB of memory in use. ENERGY: 2160200 3972.1865 20717.1273 14412.5522 235.7841 -203653.2520 2612.8844 0.0000 0.0000 52047.4133 -109655.3043 299.1172 -161702.7176 -109300.8503 299.4192 -110.4594 -78.2005 761181.3573 13.2036 13.0796 LDB: ============= START OF LOAD BALANCING ============== 6827.38 LDB: ============== END OF LOAD BALANCING =============== 6827.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6827.38 LDB: ============= START OF LOAD BALANCING ============== 6827.7 LDB: Largest compute 7058 load 0.034311 is 17.5% of average load 0.195972 LDB: Average compute 0.004421 is 2.3% of average load 0.195972 LDB: TIME 6827.7 LOAD: AVG 0.195972 MAX 0.216221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.262 MB LDB: TIME 6827.71 LOAD: AVG 0.195972 MAX 0.216221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.262 MB LDB: TIME 6827.71 LOAD: AVG 0.195972 MAX 0.216221 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.262 MB LDB: ============== END OF LOAD BALANCING =============== 6827.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6827.71 PRESSURE: 2160400 -475.216 2.32708 -81.0027 2.32755 216.124 114.297 -81.0031 114.297 -129.907 GPRESSURE: 2160400 -501.143 15.2837 -85.3409 -20.3312 341.824 139.172 -118.225 -0.533141 -127.98 PRESSAVG: 2160400 -33.1404 -50.4246 -22.9759 -50.4245 47.138 6.39845 -22.9759 6.39836 15.6845 GPRESSAVG: 2160400 -31.9134 -47.8634 -20.7746 -51.2214 47.1227 7.60071 -23.5258 4.34869 15.0985 TIMING: 2160400 CPU: 6815.63, 0.00324011/step Wall: 6815.63, 0.00324011/step, 2.55573 hours remaining, 238.285156 MB of memory in use. ENERGY: 2160400 4026.7785 20507.6907 14474.4605 251.7218 -203419.8744 2447.3679 0.0000 0.0000 52234.4148 -109477.4401 300.1919 -161711.8550 -109117.8791 299.5450 -129.6662 -95.7667 760770.2270 9.8940 10.1026 PRESSURE: 2160600 -57.5225 85.3808 -268.683 85.3799 9.45041 -216.598 -268.684 -216.599 -48.5607 GPRESSURE: 2160600 -29.1927 32.6753 -219.124 67.1217 76.5397 -247.168 -215.601 -89.678 -34.2231 PRESSAVG: 2160600 -71.1219 9.84936 -32.4884 9.84927 57.6055 -7.13041 -32.4885 -7.1304 7.1264 GPRESSAVG: 2160600 -71.9427 5.65274 -35.4938 10.0789 58.979 -9.33735 -33.2976 -3.96082 7.21109 TIMING: 2160600 CPU: 6816.26, 0.00315243/step Wall: 6816.26, 0.00315243/step, 2.48639 hours remaining, 238.488281 MB of memory in use. ENERGY: 2160600 3992.6503 20591.5652 14529.6087 241.2059 -203333.5264 2368.4409 0.0000 0.0000 52105.5545 -109504.5009 299.4513 -161610.0554 -109155.7618 299.4438 -32.2109 4.3746 760841.3022 -2.1300 -1.9175 PRESSURE: 2160800 -277.738 5.35068 69.6001 5.35078 7.61913 -113.731 69.5996 -113.731 206.369 GPRESSURE: 2160800 -180.72 91.5555 59.8024 -90.3693 1.39975 -145.576 37.9156 -265.847 208.16 PRESSAVG: 2160800 -71.7502 0.903239 24.737 0.903213 65.6156 -13.0784 24.737 -13.0786 9.86637 GPRESSAVG: 2160800 -71.5657 3.92807 25.1182 0.453474 64.8268 -11.8308 23.1174 -13.7672 10.1015 TIMING: 2160800 CPU: 6816.89, 0.00316774/step Wall: 6816.89, 0.00316774/step, 2.49829 hours remaining, 238.488281 MB of memory in use. ENERGY: 2160800 3986.1325 20545.8063 14388.0550 262.5578 -203656.4553 2843.1370 0.0000 0.0000 51995.2063 -109635.5604 298.8172 -161630.7667 -109272.5230 299.0143 -21.2499 9.6131 759742.8391 1.2439 1.1209 PRESSURE: 2161000 500.683 -14.8747 76.3597 -14.875 220.327 151.922 76.3601 151.922 -160.473 GPRESSURE: 2161000 539.725 -19.315 143.6 28.2713 188.69 156.258 28.7093 56.8062 -87.6139 PRESSAVG: 2161000 -20.6893 -30.7393 -21.7289 -30.7393 24.0712 -40.3153 -21.7289 -40.3153 8.22068 GPRESSAVG: 2161000 -20.3148 -30.8269 -22.1706 -30.2622 22.9289 -39.251 -19.6946 -41.9678 8.85511 TIMING: 2161000 CPU: 6817.53, 0.00316881/step Wall: 6817.53, 0.00316881/step, 2.49896 hours remaining, 238.488281 MB of memory in use. ENERGY: 2161000 3885.2958 20561.9572 14446.3878 241.9117 -203259.3830 2575.7054 0.0000 0.0000 51983.5854 -109564.5398 298.7504 -161548.1252 -109201.0510 298.7557 186.8459 213.6003 761765.5750 3.8675 3.8231 PRESSURE: 2161200 -0.0987071 -108.062 -12.811 -108.061 -19.479 230.93 -12.8116 230.928 226.563 GPRESSURE: 2161200 76.9492 -133.903 34.8777 -58.3029 10.7209 248.433 -25.5337 202.679 184.958 PRESSAVG: 2161200 30.3174 -46.6121 -63.8305 -46.6121 19.0971 64.4214 -63.8305 64.4214 4.61757 GPRESSAVG: 2161200 29.8851 -47.9094 -61.9683 -46.9286 19.6261 62.7726 -62.4834 67.3141 3.72109 TIMING: 2161200 CPU: 6818.16, 0.00316145/step Wall: 6818.16, 0.00316145/step, 2.49298 hours remaining, 238.488281 MB of memory in use. ENERGY: 2161200 3950.0768 20337.3833 14411.7300 234.9281 -203177.1183 2408.9492 0.0000 0.0000 52268.3577 -109565.6932 300.3870 -161834.0509 -109200.8749 298.7070 68.9952 90.8760 761430.3019 18.0107 17.7441 PRESSURE: 2161400 53.133 -139.261 -178.23 -139.261 -147.015 55.4602 -178.229 55.4609 -325.203 GPRESSURE: 2161400 39.047 -185.888 -171.788 -161.446 -80.5501 94.1994 -192.792 22.3225 -305.963 PRESSAVG: 2161400 -34.2654 -24.2694 -42.3597 -24.2694 10.7857 45.9876 -42.3597 45.9876 3.38982 GPRESSAVG: 2161400 -33.7095 -22.3358 -42.3581 -24.9218 11.0068 46.7024 -45.1888 45.1717 3.03132 TIMING: 2161400 CPU: 6818.79, 0.00316485/step Wall: 6818.79, 0.00316485/step, 2.49548 hours remaining, 238.488281 MB of memory in use. ENERGY: 2161400 3974.6763 20474.3096 14347.0700 243.6717 -203468.8606 2602.7570 0.0000 0.0000 52225.1158 -109601.2603 300.1385 -161826.3760 -109245.2134 299.2889 -139.6951 -115.8220 762183.2333 -6.6966 -6.5571 PRESSURE: 2161600 95.7374 20.4586 134.029 20.459 -31.4734 -195.245 134.028 -195.245 148.358 GPRESSURE: 2161600 63.5744 -22.9364 20.6316 85.4693 -22.9116 -214.872 212.522 -133.54 252.584 PRESSAVG: 2161600 -7.40385 -51.177 -38.5308 -51.177 61.9544 16.4928 -38.5308 16.4928 -7.27763 GPRESSAVG: 2161600 -9.38543 -50.029 -39.5638 -51.5865 62.0869 15.9147 -37.2141 16.0684 -5.90554 TIMING: 2161600 CPU: 6819.43, 0.0031679/step Wall: 6819.43, 0.0031679/step, 2.49771 hours remaining, 238.488281 MB of memory in use. ENERGY: 2161600 4022.9441 20469.0698 14366.6152 224.9098 -203408.6860 2632.0798 0.0000 0.0000 52102.1351 -109590.9323 299.4317 -161693.0674 -109224.9832 299.4351 70.8738 97.7488 761863.0713 15.7576 15.5987 PRESSURE: 2161800 -117.154 -33.2646 45.1611 -33.2648 -24.0766 25.3626 45.1616 25.3618 139.712 GPRESSURE: 2161800 -34.5614 -11.1849 90.2693 -12.3069 -53.7163 54.5892 57.4705 -10.1332 153.309 PRESSAVG: 2161800 -55.7084 -0.156431 37.567 -0.156427 15.2977 2.9851 37.567 2.98521 9.12288 GPRESSAVG: 2161800 -53.8103 -1.98602 37.6072 -0.636403 14.9023 3.09696 37.0807 5.50397 7.5418 TIMING: 2161800 CPU: 6820.06, 0.00317837/step Wall: 6820.06, 0.00317838/step, 2.5058 hours remaining, 238.488281 MB of memory in use. ENERGY: 2161800 4026.0861 20340.2153 14334.6053 228.9171 -203464.2845 2820.8126 0.0000 0.0000 52026.2472 -109687.4009 298.9956 -161713.6481 -109312.8261 298.5383 -0.5063 21.6772 763094.1550 -10.4293 -10.4554 PRESSURE: 2162000 -565.824 -21.8607 100.543 -21.8598 -219.558 -42.982 100.543 -42.9821 -558.981 GPRESSURE: 2162000 -442.812 63.3646 12.5287 -33.355 -303.852 3.00422 149.081 43.5523 -500.095 PRESSAVG: 2162000 -41.8256 -19.1928 1.82319 -19.1928 22.2423 -21.4541 1.82324 -21.4541 16.8009 GPRESSAVG: 2162000 -40.6697 -19.8945 1.16633 -16.1857 20.6139 -21.1674 1.72491 -22.264 17.472 TIMING: 2162000 CPU: 6820.69, 0.00316533/step Wall: 6820.69, 0.00316533/step, 2.49534 hours remaining, 238.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2162000 4077.3117 20542.6556 14420.1075 253.9025 -202915.4642 1925.3317 0.0000 0.0000 51995.3820 -109700.7731 298.8182 -161696.1551 -109338.7468 298.6591 -448.1212 -415.5863 763523.7126 -0.9275 -0.8613 PRESSURE: 2162200 -272.216 13.0005 -8.13084 13.0008 -567.94 251.102 -8.13084 251.101 -373.852 GPRESSURE: 2162200 -277.896 24.2261 -66.3101 -74.6186 -429.3 143.5 48.8376 210.493 -424.389 PRESSAVG: 2162200 3.82641 -24.8103 13.9428 -24.8103 -27.9262 34.616 13.9428 34.6161 0.396362 GPRESSAVG: 2162200 1.97618 -24.6674 15.5592 -27.1756 -25.6267 34.9864 13.6436 33.9991 0.225943 TIMING: 2162200 CPU: 6821.33, 0.00317185/step Wall: 6821.33, 0.00317185/step, 2.5003 hours remaining, 238.488281 MB of memory in use. ENERGY: 2162200 4038.8465 20469.4508 14450.8564 234.3597 -203527.7993 2646.3732 0.0000 0.0000 52095.8696 -109592.0431 299.3957 -161687.9127 -109231.5911 298.5444 -404.6693 -377.1948 762023.5778 -7.9011 -7.8082 PRESSURE: 2162400 -128.894 27.1432 -132.149 27.1432 183.234 -138.657 -132.148 -138.657 -113.674 GPRESSURE: 2162400 -124.856 64.083 -62.2383 -59.2741 222.741 -143.159 -116.671 -116.341 -77.1456 PRESSAVG: 2162400 -41.5081 -4.43154 10.5812 -4.43156 54.4455 -27.8834 10.5812 -27.8834 4.07434 GPRESSAVG: 2162400 -40.4082 -4.28147 7.32935 -3.57156 52.5509 -27.3368 11.1919 -28.8048 4.94383 TIMING: 2162400 CPU: 6821.96, 0.00315243/step Wall: 6821.96, 0.00315243/step, 2.48482 hours remaining, 238.488281 MB of memory in use. ENERGY: 2162400 3988.8435 20480.3057 14517.4061 250.7168 -203606.1082 2828.0673 0.0000 0.0000 51835.9985 -109704.7703 297.9022 -161540.7688 -109348.8930 298.3953 -19.7778 6.9132 762466.6837 5.6706 5.6955 PRESSURE: 2162600 12.8954 37.5592 92.8368 37.5589 201.896 -217.825 92.8368 -217.824 202.883 GPRESSURE: 2162600 68.004 -33.3342 87.2416 -37.9231 258.927 -251.937 283.68 -11.8516 167.173 PRESSAVG: 2162600 13.7361 -17.3909 -12.5097 -17.3909 -8.65299 16.3491 -12.5097 16.3491 -20.8449 GPRESSAVG: 2162600 13.9893 -19.9632 -10.6233 -17.8761 -7.23489 16.8393 -12.4168 18.2812 -22.7471 TIMING: 2162600 CPU: 6822.59, 0.00317338/step Wall: 6822.59, 0.00317338/step, 2.50116 hours remaining, 238.488281 MB of memory in use. ENERGY: 2162600 4018.2900 20531.8904 14436.0361 231.4953 -203568.2135 2562.7778 0.0000 0.0000 51904.4697 -109883.2542 298.2957 -161787.7239 -109524.2503 298.9125 139.2246 164.7014 760932.7402 -5.2539 -5.3309 PRESSURE: 2162800 -378.813 25.4793 -81.3357 25.4796 -148.144 150.83 -81.3353 150.83 -187.615 GPRESSURE: 2162800 -248.506 13.2585 -62.7379 -14.1991 -133.285 175.65 68.944 304.45 -250.018 PRESSAVG: 2162800 -12.0385 -46.9281 27.7046 -46.9282 -5.75924 26.7843 27.7046 26.7843 9.6809 GPRESSAVG: 2162800 -12.8651 -43.5746 26.4068 -45.386 -4.69661 24.9502 26.951 26.9826 9.83011 TIMING: 2162800 CPU: 6823.23, 0.00317242/step Wall: 6823.23, 0.00317242/step, 2.50022 hours remaining, 238.488281 MB of memory in use. ENERGY: 2162800 3966.2187 20343.0084 14463.4582 253.4554 -203552.3619 2413.3797 0.0000 0.0000 51961.9154 -110150.9260 298.6258 -162112.8414 -109778.9623 298.9129 -238.1909 -210.6031 760531.5943 -2.7056 -2.5772 PRESSURE: 2163000 -5.26221 108.057 -47.9112 108.057 -570.285 -106.646 -47.9119 -106.647 1.60193 GPRESSURE: 2163000 -23.1475 166.498 19.2334 10.1291 -429.05 -9.05235 14.8703 -278.374 -37.4216 PRESSAVG: 2163000 -29.1459 -0.401552 6.5704 -0.401583 -1.23477 -30.635 6.5704 -30.6351 -3.75096 GPRESSAVG: 2163000 -28.5821 -2.62942 8.06624 -0.466567 -2.34241 -28.0861 7.70156 -32.5051 -3.06202 TIMING: 2163000 CPU: 6823.86, 0.00317766/step Wall: 6823.86, 0.00317766/step, 2.50417 hours remaining, 238.488281 MB of memory in use. ENERGY: 2163000 3988.4963 20468.8039 14432.1172 244.8361 -203423.9370 2272.5792 0.0000 0.0000 51869.7494 -110147.3550 298.0962 -162017.1044 -109782.8495 298.4235 -191.3149 -163.2064 759899.6483 -11.3772 -11.3288 PRESSURE: 2163200 185.701 59.2591 -230.874 59.2581 25.7335 152.693 -230.874 152.694 306.964 GPRESSURE: 2163200 126.964 79.8358 -213.235 -7.12542 106.717 151.557 -172.418 128.58 377.034 PRESSAVG: 2163200 -17.8956 -60.3519 -2.75391 -60.352 11.596 28.4448 -2.75391 28.4447 -8.65272 GPRESSAVG: 2163200 -19.2211 -58.5904 -1.76886 -61.137 12.8457 26.7519 -6.21151 30.6192 -8.19212 TIMING: 2163200 CPU: 6824.5, 0.00319491/step Wall: 6824.5, 0.00319491/step, 2.51759 hours remaining, 238.488281 MB of memory in use. ENERGY: 2163200 3913.2785 20521.2034 14493.4446 254.7006 -203956.2922 2852.2534 0.0000 0.0000 51855.0996 -110066.3121 298.0120 -161921.4118 -109698.7878 298.5524 172.7995 203.5715 760323.7665 -4.9841 -4.8558 PRESSURE: 2163400 -154.888 0.0302571 -129.341 0.0292168 99.1253 -27.9423 -129.341 -27.9425 -95.7734 GPRESSURE: 2163400 -86.5368 -60.0862 -103.039 25.6571 111.484 -20.0074 -134.529 99.1421 -88.6211 PRESSAVG: 2163400 27.3804 -45.6566 10.4324 -45.6566 -4.08319 25.5615 10.4323 25.5615 8.75171 GPRESSAVG: 2163400 27.6042 -46.6007 7.89863 -43.823 -5.84167 26.3007 13.5058 24.0727 9.79084 TIMING: 2163400 CPU: 6825.14, 0.00318509/step Wall: 6825.14, 0.00318509/step, 2.50968 hours remaining, 238.488281 MB of memory in use. ENERGY: 2163400 3910.7980 20666.5306 14482.2064 244.7921 -203585.4761 2406.5127 0.0000 0.0000 51789.5738 -110085.0627 297.6354 -161874.6365 -109711.5132 298.1389 -50.5120 -21.2247 762212.0708 10.6830 10.5178 PRESSURE: 2163600 -45.522 43.7823 -106.477 43.7814 -195.486 -16.5269 -106.477 -16.5271 -151.728 GPRESSURE: 2163600 -92.1625 -165.117 -77.9284 17.2469 -171.405 -79.7567 -73.2726 12.2896 -53.3941 PRESSAVG: 2163600 28.5855 -44.6582 0.375964 -44.6581 -23.3184 29.3323 0.375917 29.3323 -10.1659 GPRESSAVG: 2163600 29.3678 -45.7222 0.984546 -47.4536 -21.9601 28.8757 1.27172 28.1416 -12.1811 TIMING: 2163600 CPU: 6825.78, 0.00321128/step Wall: 6825.78, 0.00321128/step, 2.53013 hours remaining, 238.488281 MB of memory in use. ENERGY: 2163600 3936.2180 20436.3160 14482.8607 238.0722 -203008.4502 2120.4682 0.0000 0.0000 51835.4058 -109959.1092 297.8988 -161794.5150 -109593.0620 298.2772 -130.9120 -105.6539 760599.4067 -1.6329 -1.5911 PRESSURE: 2163800 26.4787 -57.0871 41.704 -57.0872 315.571 107.406 41.705 107.406 329.299 GPRESSURE: 2163800 101.312 -134.408 -1.78648 -41.8734 305.243 106.522 -100.136 43.4985 334.222 PRESSAVG: 2163800 -18.9949 -21.6468 -22.0249 -21.6468 18.1221 -32.0765 -22.025 -32.0764 16.8599 GPRESSAVG: 2163800 -20.8702 -21.0527 -22.8637 -20.1229 18.571 -33.0388 -23.0968 -31.2663 17.8878 TIMING: 2163800 CPU: 6826.42, 0.00320213/step Wall: 6826.42, 0.00320213/step, 2.52274 hours remaining, 238.488281 MB of memory in use. ENERGY: 2163800 3906.1103 20363.0118 14429.7949 237.4499 -203858.9072 2750.4071 0.0000 0.0000 52135.0548 -110037.0784 299.6209 -162172.1333 -109668.1911 298.5718 223.7828 246.9256 758087.6562 5.3290 5.1962 PRESSURE: 2164000 -119.845 -164.481 50.8793 -164.481 72.178 -135.626 50.8795 -135.625 452.122 GPRESSURE: 2164000 29.7139 -234.665 143.817 -188.602 7.90618 -75.0487 136.202 -48.1745 472.476 PRESSAVG: 2164000 -29.7928 -53.524 16.9711 -53.524 23.6432 21.6803 16.971 21.6803 22.3602 GPRESSAVG: 2164000 -28.022 -53.6549 18.1032 -54.1987 21.8562 23.2484 16.4405 24.3758 21.5664 TIMING: 2164000 CPU: 6827.06, 0.00319086/step Wall: 6827.06, 0.00319086/step, 2.51369 hours remaining, 238.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2164000 3984.6307 20540.7043 14434.9635 270.7576 -203422.5688 2476.4135 0.0000 0.0000 51712.7509 -110002.3483 297.1939 -161715.0992 -109641.1265 298.9709 134.8180 170.0321 760115.6236 5.4035 5.1335 PRESSURE: 2164200 -298.572 -6.09895 -64.1246 -6.09965 -140.663 -120.369 -64.1246 -120.37 -180.402 GPRESSURE: 2164200 -322.837 28.3156 -42.4409 35.1458 -53.2579 -158.24 132.997 -134.41 -161.522 PRESSAVG: 2164200 -22.3266 -107.19 -6.73147 -107.19 33.2809 -11.365 -6.73152 -11.365 15.1488 GPRESSAVG: 2164200 -22.6169 -105.26 -7.87416 -108.241 33.3545 -10.4402 -4.82534 -15.5783 15.7233 TIMING: 2164200 CPU: 6827.7, 0.00318616/step Wall: 6827.7, 0.00318616/step, 2.50981 hours remaining, 238.488281 MB of memory in use. ENERGY: 2164200 3978.9091 20657.3413 14448.5876 256.1883 -203284.6719 2208.3708 0.0000 0.0000 51855.3013 -109879.9735 298.0131 -161735.2748 -109518.8824 298.9601 -206.5455 -179.2058 761002.1999 8.7010 8.8203 LDB: ============= START OF LOAD BALANCING ============== 6840.1 LDB: ============== END OF LOAD BALANCING =============== 6840.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6840.1 LDB: ============= START OF LOAD BALANCING ============== 6840.41 LDB: Largest compute 7076 load 0.035583 is 18.2% of average load 0.195941 LDB: Average compute 0.004408 is 2.2% of average load 0.195941 LDB: TIME 6840.42 LOAD: AVG 0.195941 MAX 0.216412 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.285 MB LDB: TIME 6840.42 LOAD: AVG 0.195941 MAX 0.216412 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.289 MB LDB: TIME 6840.42 LOAD: AVG 0.195941 MAX 0.216412 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.289 MB LDB: ============== END OF LOAD BALANCING =============== 6840.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6840.43 PRESSURE: 2164400 -313.297 -132.536 2.55365 -132.536 218.174 -132.823 2.55382 -132.823 117.779 GPRESSURE: 2164400 -210.317 -92.4133 12.8213 -193.734 165.675 -141.89 -77.6227 -176.699 139.374 PRESSAVG: 2164400 -58.3216 -50.4211 1.81297 -50.4211 58.1062 -66.454 1.81292 -66.454 -0.84258 GPRESSAVG: 2164400 -58.1842 -52.3254 2.08296 -47.0645 57.5558 -67.9218 1.22108 -65.6579 -0.292575 TIMING: 2164400 CPU: 6828.34, 0.0032227/step Wall: 6828.34, 0.00322269/step, 2.53841 hours remaining, 239.183594 MB of memory in use. ENERGY: 2164400 3977.5135 20732.5666 14511.9357 242.0268 -203391.2594 2291.3520 0.0000 0.0000 51813.8720 -109821.9928 297.7750 -161635.8648 -109473.5959 298.9059 7.5519 31.5771 759227.7842 -0.3526 -0.3070 PRESSURE: 2164600 83.8516 -72.1061 -11.6161 -72.1063 -49.7497 -16.9308 -11.6164 -16.9291 -315.011 GPRESSURE: 2164600 110.427 -75.1714 92.2986 -152.457 -11.6632 -76.4562 -39.8912 86.4507 -283.394 PRESSAVG: 2164600 -16.1978 -36.6805 21.9253 -36.6805 20.0139 31.4083 21.9253 31.4083 0.835337 GPRESSAVG: 2164600 -16.9263 -36.0507 22.1133 -39.071 20.785 30.6433 20.6998 31.627 1.03546 TIMING: 2164600 CPU: 6828.98, 0.00317723/step Wall: 6828.98, 0.00317723/step, 2.50242 hours remaining, 239.183594 MB of memory in use. ENERGY: 2164600 3980.5329 20471.4425 14375.6740 249.3460 -203584.0297 2475.1831 0.0000 0.0000 52215.9200 -109815.9313 300.0856 -162031.8512 -109449.8141 298.7599 -93.6362 -61.5433 761108.6958 1.5505 1.6314 PRESSURE: 2164800 -180.679 -167.989 -77.7455 -167.989 -118.654 151.472 -77.7447 151.472 -191.535 GPRESSURE: 2164800 -151.603 -153.908 -1.67398 -151.349 -53.6501 97.6479 70.6572 82.6724 -213.231 PRESSAVG: 2164800 2.8841 -13.0913 -28.4907 -13.0913 -2.83565 -22.3792 -28.4907 -22.3792 -7.94806 GPRESSAVG: 2164800 2.98045 -12.5779 -28.6172 -12.6164 -2.58908 -21.5914 -28.4067 -21.9148 -8.09649 TIMING: 2164800 CPU: 6829.61, 0.00315189/step Wall: 6829.61, 0.00315189/step, 2.48229 hours remaining, 239.183594 MB of memory in use. ENERGY: 2164800 3935.1096 20616.1823 14474.5687 235.1655 -203652.6794 2752.0569 0.0000 0.0000 52108.6373 -109530.9592 299.4691 -161639.5965 -109166.7519 299.7527 -163.6226 -139.4945 761366.8190 -2.6332 -2.5684 PRESSURE: 2165000 212.336 -109.651 50.8233 -109.651 -170.305 78.9899 50.8231 78.9899 -175.311 GPRESSURE: 2165000 175.923 -45.3053 18.0015 88.5712 -92.6446 29.6715 182.212 -64.1438 -130.102 PRESSAVG: 2165000 31.6786 -9.51861 4.28202 -9.51851 -27.0597 -14.2992 4.282 -14.2993 -15.3416 GPRESSAVG: 2165000 30.8811 -9.39746 3.37899 -8.64025 -26.104 -14.0848 6.49939 -13.4862 -15.6083 TIMING: 2165000 CPU: 6830.24, 0.00317725/step Wall: 6830.24, 0.00317725/step, 2.50208 hours remaining, 239.183594 MB of memory in use. ENERGY: 2165000 4018.6983 20560.8002 14482.6189 250.0424 -203182.6690 2543.0417 0.0000 0.0000 51884.2699 -109443.1975 298.1796 -161327.4675 -109081.9509 299.4875 -44.4267 -15.6079 760948.5492 -3.5742 -3.6104 PRESSURE: 2165200 11.7647 152.219 307.098 152.217 -305.042 183.266 307.099 183.267 -54.3662 GPRESSURE: 2165200 35.5346 131.502 293.352 62.1462 -264.351 202.973 184.72 214.37 -23.2329 PRESSAVG: 2165200 4.96024 -39.3598 47.7545 -39.3599 4.14086 1.90185 47.7545 1.9018 4.69036 GPRESSAVG: 2165200 5.56125 -39.0036 50.3089 -42.7994 2.91041 1.47677 46.0618 1.08665 5.37455 TIMING: 2165200 CPU: 6830.88, 0.00318215/step Wall: 6830.88, 0.00318215/step, 2.50577 hours remaining, 239.183594 MB of memory in use. ENERGY: 2165200 3989.6601 20462.2037 14424.1859 244.4851 -203340.6226 2560.1583 0.0000 0.0000 52177.0512 -109482.8782 299.8622 -161659.9294 -109113.0827 299.3862 -115.8812 -84.0163 760529.4921 4.5972 4.6154 PRESSURE: 2165400 -210.247 -41.9595 170.797 -41.9608 -55.7945 -57.7041 170.798 -57.7042 -269.326 GPRESSURE: 2165400 -119.933 -78.2268 136.185 -25.5341 -96.0447 2.53304 66.1916 -33.8518 -259.668 PRESSAVG: 2165400 0.63765 -32.9878 41.5812 -32.9878 -3.90229 32.2221 41.5813 32.2221 8.56051 GPRESSAVG: 2165400 2.04439 -32.0467 40.1822 -31.3773 -5.05239 33.9687 39.8187 32.9996 8.69895 TIMING: 2165400 CPU: 6831.51, 0.00316083/step Wall: 6831.51, 0.00316083/step, 2.4888 hours remaining, 239.183594 MB of memory in use. ENERGY: 2165400 3997.5755 20388.1208 14423.7451 242.3412 -202882.3656 2226.1083 0.0000 0.0000 52081.4527 -109523.0221 299.3128 -161604.4747 -109160.1870 299.5717 -178.4558 -158.5486 760609.0171 1.7653 1.8970 PRESSURE: 2165600 -286.521 284.279 39.5269 284.28 -23.4552 171.416 39.5272 171.415 216.697 GPRESSURE: 2165600 -271.599 299.857 18.386 188.671 -2.28076 114.573 86.6928 197.995 246.21 PRESSAVG: 2165600 1.18485 12.1342 21.0137 12.1342 20.1649 -4.34584 21.0137 -4.34587 -3.67379 GPRESSAVG: 2165600 1.10853 12.0967 20.7585 12.2347 21.3752 -6.8128 22.1171 -4.81546 -4.21507 TIMING: 2165600 CPU: 6832.15, 0.00316595/step Wall: 6832.15, 0.00316595/step, 2.49266 hours remaining, 239.183594 MB of memory in use. ENERGY: 2165600 3883.7710 20426.1148 14496.5257 233.1423 -203190.0795 2409.6851 0.0000 0.0000 52197.2132 -109543.6274 299.9781 -161740.8406 -109173.4892 299.4682 -31.0931 -9.2235 761860.9796 5.8920 6.0896 PRESSURE: 2165800 -391.775 -11.2638 -162.413 -11.2636 -343.214 132.843 -162.413 132.843 -115.215 GPRESSURE: 2165800 -371.249 -47.6537 -84.1036 -38.9211 -244.826 45.437 -163.19 123.817 -163.394 PRESSAVG: 2165800 2.2487 -17.6402 40.2512 -17.6402 -19.1305 11.2761 40.2512 11.276 8.8322 GPRESSAVG: 2165800 0.461898 -17.8763 40.8569 -18.8824 -17.6228 11.6054 40.9722 12.7469 8.64051 TIMING: 2165800 CPU: 6832.78, 0.00316298/step Wall: 6832.78, 0.00316298/step, 2.49014 hours remaining, 239.183594 MB of memory in use. ENERGY: 2165800 3973.6753 20619.2888 14440.3029 231.5969 -203073.7188 2153.4698 0.0000 0.0000 51839.6148 -109815.7702 297.9230 -161655.3850 -109462.1447 298.5217 -283.4014 -259.8229 760663.9756 -2.6832 -2.8401 PRESSURE: 2166000 -496.407 -278.091 54.4507 -278.091 -372.511 65.5313 54.4514 65.5314 -273.526 GPRESSURE: 2166000 -413.342 -236.025 6.32177 -186.437 -374.626 84.1691 -51.3229 128.239 -271.856 PRESSAVG: 2166000 43.3176 -24.9323 -10.2786 -24.9324 -38.6974 -34.1837 -10.2786 -34.1838 7.13342 GPRESSAVG: 2166000 43.0297 -26.2993 -11.0657 -24.4635 -38.9789 -31.2987 -10.9303 -34.9745 7.42391 TIMING: 2166000 CPU: 6833.42, 0.00319744/step Wall: 6833.42, 0.00319744/step, 2.5171 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2166000 4000.1521 20523.2467 14440.0312 227.3521 -202867.7996 2220.9889 0.0000 0.0000 51963.7356 -109492.2929 298.6363 -161456.0285 -109130.2372 298.9493 -380.8146 -353.2747 762919.4149 3.9179 3.8249 PRESSURE: 2166200 -67.1917 101.413 -141.192 101.413 186.342 -75.7493 -141.192 -75.7488 447.988 GPRESSURE: 2166200 -21.6082 16.9023 -179.61 107.361 207.367 -135.113 -92.8704 -94.524 462.651 PRESSAVG: 2166200 -45.1335 -23.0504 -6.56221 -23.0504 42.646 -50.6151 -6.56216 -50.6152 11.5706 GPRESSAVG: 2166200 -44.5541 -22.6126 -6.98036 -20.6428 42.3706 -52.8759 -5.36058 -49.8673 11.2478 TIMING: 2166200 CPU: 6834.06, 0.00319836/step Wall: 6834.06, 0.00319836/step, 2.51764 hours remaining, 239.183594 MB of memory in use. ENERGY: 2166200 4050.6621 20447.0231 14482.7150 249.8344 -203235.1130 2664.5242 0.0000 0.0000 51870.0219 -109470.3323 298.0977 -161340.3542 -109106.4924 299.4768 189.0461 216.1366 762182.9781 3.0277 3.0214 PRESSURE: 2166400 -111.677 -162.917 41.3674 -162.917 -158.266 -5.69847 41.3671 -5.6986 108.782 GPRESSURE: 2166400 -116.706 -213.916 134.589 -89.3969 -33.1378 8.07997 -5.18188 -112.216 72.9287 PRESSAVG: 2166400 -35.8444 -23.7357 -38.8153 -23.7357 14.7527 -6.20624 -38.8153 -6.20631 0.0705023 GPRESSAVG: 2166400 -36.3713 -24.0823 -38.2391 -23.3605 15.3683 -5.83754 -38.9047 -8.29216 0.348869 TIMING: 2166400 CPU: 6834.69, 0.00316366/step Wall: 6834.69, 0.00316366/step, 2.49015 hours remaining, 239.183594 MB of memory in use. ENERGY: 2166400 4042.0943 20502.6924 14384.8685 248.6424 -203489.2184 2592.1902 0.0000 0.0000 52241.3897 -109477.3408 300.2320 -161718.7305 -109121.7983 299.7926 -53.7203 -25.6385 761626.0491 -7.0071 -6.8847 PRESSURE: 2166600 -203.272 21.0398 -53.9545 21.0408 99.5586 235.846 -53.9553 235.847 -274.352 GPRESSURE: 2166600 -240.65 29.3585 -70.8581 -154.812 198.893 162.144 -20.5925 259.229 -244.407 PRESSAVG: 2166600 -22.8609 -47.9101 -34.6647 -47.9101 -12.0123 9.7526 -34.6646 9.75261 -5.81912 GPRESSAVG: 2166600 -22.4853 -45.1538 -35.002 -50.4078 -12.9951 9.19682 -37.3491 11.3766 -5.45114 TIMING: 2166600 CPU: 6835.33, 0.00317239/step Wall: 6835.33, 0.00317239/step, 2.49685 hours remaining, 239.183594 MB of memory in use. ENERGY: 2166600 3980.8642 20553.3515 14401.0798 252.4472 -203207.1187 2627.5426 0.0000 0.0000 52147.2245 -109244.6089 299.6908 -161391.8335 -108887.9183 299.4630 -126.0217 -95.3882 762400.8280 -13.5641 -13.6438 PRESSURE: 2166800 -245.939 -172.794 223.943 -172.794 90.2351 110.011 223.943 110.011 -494.104 GPRESSURE: 2166800 -150.26 -21.4568 170.434 -156.275 53.7402 120.09 290.183 170.848 -474.676 PRESSAVG: 2166800 -55.2541 -28.7867 26.6084 -28.7866 46.8209 12.434 26.6084 12.4339 -1.45108 GPRESSAVG: 2166800 -54.7699 -31.3401 28.2963 -25.6839 47.1177 12.5226 26.7776 12.7562 -2.53733 TIMING: 2166800 CPU: 6835.96, 0.00315731/step Wall: 6835.96, 0.00315731/step, 2.48481 hours remaining, 239.183594 MB of memory in use. ENERGY: 2166800 3982.1441 20552.5618 14472.1529 252.4525 -203184.3414 2533.2073 0.0000 0.0000 52141.2229 -109250.5999 299.6563 -161391.8228 -108891.3351 299.9652 -216.6026 -190.3985 763308.6932 -3.2948 -3.3965 PRESSURE: 2167000 -36.5289 -47.0006 222.212 -47.0005 -178.454 -7.43725 222.212 -7.43759 -106.564 GPRESSURE: 2167000 6.39039 -116.026 260.818 -103.411 -41.2937 -15.5931 -50.9711 -7.79241 -191.848 PRESSAVG: 2167000 -57.8938 -35.1543 55.4089 -35.1543 67.3719 3.73342 55.4089 3.73342 -5.18855 GPRESSAVG: 2167000 -58.1403 -34.2749 54.2896 -38.5462 67.382 3.82982 56.592 1.69763 -4.69355 TIMING: 2167000 CPU: 6836.59, 0.00315535/step Wall: 6836.59, 0.00315535/step, 2.48308 hours remaining, 239.183594 MB of memory in use. ENERGY: 2167000 3994.2145 20432.1301 14471.1709 265.2984 -203689.6178 2928.8699 0.0000 0.0000 52388.5792 -109209.3547 301.0779 -161597.9339 -108843.0858 299.9959 -107.1821 -75.5836 761940.1489 1.4299 1.5160 PRESSURE: 2167200 -133.918 -28.3315 -27.2033 -28.331 -7.80366 46.5071 -27.2034 46.5066 -145.286 GPRESSURE: 2167200 -200.222 160.002 -65.7143 2.97715 111.887 28.7508 -69.6789 102.587 -114.75 PRESSAVG: 2167200 -23.0883 -31.988 20.3266 -31.988 35.4876 -9.27223 20.3266 -9.27223 1.84122 GPRESSAVG: 2167200 -22.678 -31.6825 21.8375 -30.1708 34.6684 -9.74092 20.7799 -7.07979 2.8352 TIMING: 2167200 CPU: 6837.22, 0.00316418/step Wall: 6837.22, 0.00316418/step, 2.48985 hours remaining, 239.183594 MB of memory in use. ENERGY: 2167200 3955.2077 20554.2289 14519.0798 234.1308 -203319.5507 2371.4900 0.0000 0.0000 52250.9488 -109434.4647 300.2869 -161685.4136 -109071.5339 300.2846 -95.6695 -67.6951 762758.2171 4.7468 4.9419 PRESSURE: 2167400 -14.7481 19.0036 -51.703 19.0034 324.925 149.089 -51.7031 149.089 299.08 GPRESSURE: 2167400 94.6886 -45.2037 -37.5513 107.427 423.357 181.811 -25.9001 103.953 179.938 PRESSAVG: 2167400 -38.4579 -17.4905 -7.7561 -17.4905 66.2834 -14.4937 -7.75603 -14.4937 11.217 GPRESSAVG: 2167400 -38.2673 -17.9368 -9.62297 -19.7799 68.115 -13.6147 -5.32219 -14.3906 9.66904 TIMING: 2167400 CPU: 6837.86, 0.00318081/step Wall: 6837.86, 0.00318081/step, 2.50276 hours remaining, 239.183594 MB of memory in use. ENERGY: 2167400 4030.2812 20457.1466 14429.9986 244.9649 -203707.3074 2797.6791 0.0000 0.0000 52233.6179 -109513.6191 300.1873 -161747.2370 -109150.3741 298.9707 203.0859 232.6614 761700.4431 13.0142 13.1722 PRESSURE: 2167600 99.2151 -167.76 -316.825 -167.761 -210.529 126.976 -316.825 126.977 74.0977 GPRESSURE: 2167600 141.787 -128.976 -265.019 -230.244 -83.5988 177.858 -291.827 368.4 3.96667 PRESSAVG: 2167600 -52.1061 3.62 -28.2711 3.61999 82.7927 -9.07869 -28.2711 -9.07872 -9.05889 GPRESSAVG: 2167600 -51.6791 4.53003 -27.2767 3.10155 82.3304 -8.87714 -30.2244 -10.6476 -8.63461 TIMING: 2167600 CPU: 6838.49, 0.0031648/step Wall: 6838.49, 0.0031648/step, 2.48999 hours remaining, 239.183594 MB of memory in use. ENERGY: 2167600 3932.8633 20484.6960 14460.7081 249.4051 -203281.4160 2661.6655 0.0000 0.0000 52099.7508 -109392.3271 299.4180 -161492.0779 -109033.8891 299.2712 -12.4056 20.7181 762499.5386 7.2092 7.3389 PRESSURE: 2167800 15.8772 225.726 49.2932 225.726 255.578 -63.7733 49.2945 -63.7743 62.601 GPRESSURE: 2167800 -5.58618 68.1584 129.633 175.396 395.953 -46.6392 7.12989 -31.6957 35.8429 PRESSAVG: 2167800 -81.4255 29.887 5.42999 29.8871 31.2254 23.1191 5.43002 23.1191 3.44468 GPRESSAVG: 2167800 -82.1427 28.0604 6.21024 32.0809 31.9987 22.7392 4.85975 23.8789 3.92391 TIMING: 2167800 CPU: 6839.12, 0.00315626/step Wall: 6839.12, 0.00315626/step, 2.4831 hours remaining, 239.183594 MB of memory in use. ENERGY: 2167800 3925.1037 20502.5744 14439.4503 228.5879 -203309.5732 2485.1152 0.0000 0.0000 52241.2181 -109487.5236 300.2310 -161728.7417 -109124.2059 298.7946 111.3522 142.0700 761516.8093 -15.5852 -15.4067 PRESSURE: 2168000 -42.0436 -122.167 -74.553 -122.168 52.8861 -12.0756 -74.5527 -12.0765 -145.259 GPRESSURE: 2168000 35.6016 -195.713 -217.19 -100.319 101.6 -67.6682 -78.1513 -105.191 -185.893 PRESSAVG: 2168000 -18.2482 -12.8475 -3.74348 -12.8475 29.6164 -10.5695 -3.74348 -10.5695 -18.2502 GPRESSAVG: 2168000 -18.0123 -13.7488 -3.98303 -12.113 28.8662 -11.5449 -2.98594 -10.6491 -18.2142 TIMING: 2168000 CPU: 6839.76, 0.00318477/step Wall: 6839.76, 0.00318477/step, 2.50535 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2168000 3937.7903 20548.8398 14521.1591 261.0135 -202716.9607 2149.5632 0.0000 0.0000 51901.5267 -109397.0681 298.2788 -161298.5948 -109040.4425 299.2224 -44.8054 -16.2305 760911.0379 -2.2940 -2.4534 PRESSURE: 2168200 -93.5907 -48.132 10.1707 -48.1316 209 -116.471 10.1706 -116.471 500.83 GPRESSURE: 2168200 -22.2036 -132.017 -51.3769 -57.2534 297.981 -60.7404 152.804 -248.983 423.332 PRESSAVG: 2168200 -24.7995 -6.39334 7.12674 -6.3933 53.9934 -16.8652 7.1267 -16.8652 -15.7849 GPRESSAVG: 2168200 -24.3741 -2.85487 7.6344 -9.11039 54.9829 -15.8258 5.42432 -18.2274 -17.2445 TIMING: 2168200 CPU: 6840.4, 0.00319492/step Wall: 6840.4, 0.00319492/step, 2.51316 hours remaining, 239.183594 MB of memory in use. ENERGY: 2168200 4035.1196 20386.6892 14501.8728 243.5252 -203286.6159 2511.1797 0.0000 0.0000 52217.5652 -109390.6641 300.0951 -161608.2293 -109013.2056 299.3487 205.4130 233.0364 760648.7004 4.4696 4.4548 LDB: ============= START OF LOAD BALANCING ============== 6852.8 LDB: ============== END OF LOAD BALANCING =============== 6852.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6852.8 LDB: ============= START OF LOAD BALANCING ============== 6853.12 LDB: Largest compute 7025 load 0.037062 is 18.9% of average load 0.195995 LDB: Average compute 0.004402 is 2.2% of average load 0.195995 LDB: TIME 6853.12 LOAD: AVG 0.195995 MAX 0.21836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.543 MB LDB: TIME 6853.12 LOAD: AVG 0.195995 MAX 0.21836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.543 MB LDB: TIME 6853.12 LOAD: AVG 0.195995 MAX 0.21836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6853.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6853.13 PRESSURE: 2168400 -93.3203 -39.1796 -262.456 -39.1789 388.309 141.559 -262.455 141.56 369.082 GPRESSURE: 2168400 15.9704 -79.2151 -264.74 -6.43414 409.008 177.403 -187.497 171.956 324.325 PRESSAVG: 2168400 -5.74334 -96.0905 2.73795 -96.0905 -41.2828 11.6894 2.7379 11.6895 -1.61073 GPRESSAVG: 2168400 -6.31759 -97.8914 1.60035 -94.1699 -41.759 11.1074 5.28416 10.8174 -0.0795466 TIMING: 2168400 CPU: 6841.05, 0.00325972/step Wall: 6841.05, 0.00325972/step, 2.56395 hours remaining, 239.644531 MB of memory in use. ENERGY: 2168400 3979.9513 20602.2386 14438.4174 259.3548 -203547.9392 2673.3062 0.0000 0.0000 52302.4369 -109292.2341 300.5828 -161594.6710 -108929.8602 299.7531 221.3570 249.7676 760015.4944 -16.2123 -16.0520 PRESSURE: 2168600 -172.393 -3.9565 10.3759 -3.95745 -218.439 -13.508 10.3749 -13.5084 -150.119 GPRESSURE: 2168600 5.14096 -89.6841 -4.66329 9.52321 -262.67 8.80407 34.7304 -43.9596 -208.709 PRESSAVG: 2168600 26.629 -14.832 -7.09101 -14.8321 -5.83322 47.8126 -7.091 47.8126 14.1824 GPRESSAVG: 2168600 26.7505 -17.5082 -7.50673 -15.0228 -6.273 48.1915 -6.91207 47.4085 13.837 TIMING: 2168600 CPU: 6841.69, 0.00319551/step Wall: 6841.69, 0.00319551/step, 2.51327 hours remaining, 239.714844 MB of memory in use. ENERGY: 2168600 4039.6831 20505.6276 14558.9169 244.4658 -203375.3854 2470.1939 0.0000 0.0000 52244.9178 -109311.5803 300.2523 -161556.4980 -108947.6560 300.0988 -180.3173 -155.4127 761405.1181 11.6594 11.4382 PRESSURE: 2168800 83.8199 111.67 -82.3827 111.67 -130.853 70.2318 -82.3822 70.2312 239.087 GPRESSURE: 2168800 118.544 178.609 -90.2467 180.106 -18.6785 171.407 -54.4381 86.0003 208.416 PRESSAVG: 2168800 -20.2222 -21.0748 -15.6651 -21.0748 32.6242 31.6686 -15.6651 31.6686 -30.3303 GPRESSAVG: 2168800 -21.6714 -17.4043 -15.6934 -19.8587 34.2444 32.1251 -17.4616 33.4733 -29.9813 TIMING: 2168800 CPU: 6842.32, 0.00318171/step Wall: 6842.32, 0.00318171/step, 2.50224 hours remaining, 239.714844 MB of memory in use. ENERGY: 2168800 3988.0666 20333.4850 14483.5853 241.2365 -202796.1011 2391.0690 0.0000 0.0000 52171.1866 -109187.4721 299.8285 -161358.6587 -108825.6856 299.7618 64.0179 102.7605 762241.4745 -5.9761 -5.8028 PRESSURE: 2169000 58.6286 21.6908 204.27 21.6905 -147.071 -128.275 204.269 -128.275 215.644 GPRESSURE: 2169000 129.539 89.6938 185.455 -40.6716 -142.35 -118.623 130.832 -106.837 204.361 PRESSAVG: 2169000 -15.7002 6.22082 -2.68675 6.22082 12.7536 16.1024 -2.68676 16.1024 4.60674 GPRESSAVG: 2169000 -14.0397 4.02026 -3.39205 3.68006 11.2873 15.3356 -2.91842 15.8928 4.3087 TIMING: 2169000 CPU: 6842.96, 0.00316699/step Wall: 6842.96, 0.00316699/step, 2.49049 hours remaining, 239.714844 MB of memory in use. ENERGY: 2169000 3935.9131 20571.9152 14515.4009 261.9361 -203164.0367 2659.7973 0.0000 0.0000 52070.2849 -109148.7893 299.2486 -161219.0741 -108798.9870 299.6640 42.4007 63.8501 761920.4197 0.5534 0.5188 PRESSURE: 2169200 -25.8259 122.382 -100.772 122.382 -110.579 122.423 -100.771 122.422 -183.474 GPRESSURE: 2169200 -20.6821 79.9967 -83.5323 68.9949 -33.6771 149.462 -159.911 199.096 -160.773 PRESSAVG: 2169200 27.2108 -6.35519 13.9351 -6.35518 -20.8726 -12.2545 13.935 -12.2545 11.5072 GPRESSAVG: 2169200 26.8901 -6.22388 14.9192 -5.59906 -20.5711 -12.1078 13.7542 -12.4752 11.5876 TIMING: 2169200 CPU: 6843.59, 0.00318535/step Wall: 6843.59, 0.00318535/step, 2.50474 hours remaining, 239.714844 MB of memory in use. ENERGY: 2169200 3976.5759 20472.9822 14466.8634 249.3578 -203366.4722 2610.4969 0.0000 0.0000 52451.7619 -109138.4340 301.4410 -161590.1960 -108771.2310 299.8387 -106.6263 -71.7106 761654.9392 5.9485 5.9688 PRESSURE: 2169400 183.614 -84.8809 -100.421 -84.8805 -162.668 260.928 -100.42 260.929 -230.899 GPRESSURE: 2169400 136.668 50.6157 -238.418 -129.853 -94.5551 358.004 -0.32814 188.371 -180.429 PRESSAVG: 2169400 -39.4199 -19.3259 8.83655 -19.3259 23.0566 24.8297 8.8365 24.8297 -25.0319 GPRESSAVG: 2169400 -39.3501 -17.0319 9.66547 -21.7258 22.9376 25.233 7.73282 26.0618 -25.6007 TIMING: 2169400 CPU: 6844.23, 0.00317127/step Wall: 6844.23, 0.00317127/step, 2.4935 hours remaining, 239.714844 MB of memory in use. ENERGY: 2169400 4045.3532 20497.9271 14395.8720 258.9310 -202786.4379 2399.3622 0.0000 0.0000 52030.1425 -109158.8498 299.0179 -161188.9924 -108787.3722 300.2462 -69.9844 -46.1052 763709.6443 -13.7984 -14.0044 PRESSURE: 2169600 207.533 -52.2241 77.6047 -52.2253 44.2212 74.6656 77.6051 74.6657 212.659 GPRESSURE: 2169600 225.683 -184.18 61.4464 -48.6494 140.581 102.057 149.269 92.2721 165.381 PRESSAVG: 2169600 9.27787 -4.86535 -35.6836 -4.8653 1.8014 -5.97569 -35.6836 -5.97556 -1.18451 GPRESSAVG: 2169600 9.71375 -5.79923 -35.924 -1.16471 1.02998 -7.46615 -34.1219 -7.23047 -0.467254 TIMING: 2169600 CPU: 6844.86, 0.00316624/step Wall: 6844.86, 0.00316624/step, 2.48937 hours remaining, 239.714844 MB of memory in use. ENERGY: 2169600 3838.7976 20628.3008 14426.0015 266.5974 -203180.9376 2382.1551 0.0000 0.0000 52499.9696 -109139.1156 301.7180 -161639.0853 -108775.4181 300.2195 154.8047 177.2149 762217.0375 3.2983 3.4255 PRESSURE: 2169800 -211.683 -294.88 -158.489 -294.879 -548.588 -110.894 -158.489 -110.895 -521.373 GPRESSURE: 2169800 -260.221 -164.511 -111.516 -109.467 -416.518 -82.508 -185.342 -69.225 -534.148 PRESSAVG: 2169800 59.3993 -62.2601 -15.8216 -62.2601 -38.2724 16.5832 -15.8216 16.5832 -27.0264 GPRESSAVG: 2169800 58.3261 -60.6953 -16.5008 -65.7187 -36.3231 18.169 -18.2535 20.1958 -27.7323 TIMING: 2169800 CPU: 6845.5, 0.00317852/step Wall: 6845.5, 0.00317852/step, 2.49885 hours remaining, 239.714844 MB of memory in use. ENERGY: 2169800 4014.5503 20504.3546 14396.8551 247.5116 -203181.0140 2471.9548 0.0000 0.0000 52187.9194 -109357.8683 299.9247 -161545.7877 -109001.0636 299.8421 -427.2147 -403.6292 761212.8774 -1.9665 -1.9097 PRESSURE: 2170000 294.547 36.8851 33.4336 36.8853 18.3621 21.6675 33.4345 21.6667 20.7559 GPRESSURE: 2170000 386.924 -28.5268 -23.4768 46.0076 2.46717 34.7439 52.4874 -55.2724 25.7476 PRESSAVG: 2170000 34.077 -56.1327 12.2291 -56.1326 9.3588 32.2248 12.2291 32.2248 2.96703 GPRESSAVG: 2170000 34.5038 -58.0333 13.3735 -52.7162 8.62387 31.431 13.7262 29.9552 3.90389 TIMING: 2170000 CPU: 6846.13, 0.00317647/step Wall: 6846.13, 0.00317647/step, 2.49706 hours remaining, 239.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2170000 4008.8654 20553.9803 14347.0938 225.3884 -203275.6150 2644.7859 0.0000 0.0000 51984.4679 -109511.0333 298.7555 -161495.5013 -109152.6176 299.5528 111.2218 138.3797 760559.1089 15.4676 15.6772 PRESSURE: 2170200 -154.286 120.956 -22.1458 120.956 167.023 84.7032 -22.1466 84.704 140.055 GPRESSURE: 2170200 -99.9049 96.8529 -64.2502 75.8864 180.255 -24.5857 -10.907 104.037 164.621 PRESSAVG: 2170200 23.5007 -11.6906 -9.61452 -11.6906 -54.2086 -8.18091 -9.61458 -8.18087 -2.66948 GPRESSAVG: 2170200 24.547 -9.92051 -10.8815 -14.372 -54.7396 -5.60156 -6.83894 -9.10249 -2.93906 TIMING: 2170200 CPU: 6846.77, 0.00316104/step Wall: 6846.77, 0.00316104/step, 2.48475 hours remaining, 239.714844 MB of memory in use. ENERGY: 2170200 3969.9854 20378.8891 14396.1507 252.8964 -203065.8865 2401.1701 0.0000 0.0000 51966.2458 -109700.5491 298.6507 -161666.7949 -109334.8063 298.6662 50.9311 81.6570 762373.5462 -11.1258 -11.0439 PRESSURE: 2170400 -202.765 26.5883 95.3772 26.5887 -140.396 22.8064 95.3777 22.806 -502.632 GPRESSURE: 2170400 -147.352 -41.1885 167.02 64.946 -111.508 105.257 -21.6133 -96.747 -455.999 PRESSAVG: 2170400 1.2992 -17.9777 27.0377 -17.9777 -20.0072 26.1226 27.0376 26.1225 -3.03433 GPRESSAVG: 2170400 0.134415 -17.8281 29.3705 -20.3071 -19.2623 24.0445 22.1116 24.9559 -2.5895 TIMING: 2170400 CPU: 6847.4, 0.00317251/step Wall: 6847.4, 0.00317251/step, 2.49359 hours remaining, 239.714844 MB of memory in use. ENERGY: 2170400 3979.5842 20280.4202 14368.2723 240.7137 -203081.9137 2473.7071 0.0000 0.0000 52036.6067 -109702.6095 299.0551 -161739.2162 -109328.6079 298.5022 -281.9309 -238.2864 761428.0018 -7.2474 -7.2391 PRESSURE: 2170600 -138.773 -152.816 -38.3067 -152.816 -251.867 -101.023 -38.3068 -101.023 -16.711 GPRESSURE: 2170600 -90.2821 -69.1369 -72.4408 -154.891 -187.049 -110.618 -139 -170.932 -29.9674 PRESSAVG: 2170600 -21.4762 19.8326 -3.68212 19.8325 9.17952 18.9534 -3.6822 18.9533 -3.57625 GPRESSAVG: 2170600 -20.2502 19.017 -5.82762 21.6942 7.38976 19.6701 -2.92624 18.839 -3.7573 TIMING: 2170600 CPU: 6848.04, 0.00318628/step Wall: 6848.04, 0.00318628/step, 2.50424 hours remaining, 239.714844 MB of memory in use. ENERGY: 2170600 3993.8263 20501.9659 14428.4780 254.4193 -203503.8914 2424.8464 0.0000 0.0000 52298.8072 -109601.5483 300.5620 -161900.3555 -109244.5990 299.1928 -135.7835 -102.4330 760252.8127 -5.2910 -5.5392 PRESSURE: 2170800 -56.6646 -62.4744 1.64697 -62.475 24.1187 -212.401 1.64664 -212.401 57.8655 GPRESSURE: 2170800 42.9122 -92.3791 -32.3464 -3.53274 12.4524 -75.8167 -65.8037 -113.18 41.0747 PRESSAVG: 2170800 -0.00421143 -38.5653 -19.5818 -38.5654 61.1458 9.58158 -19.5818 9.58154 3.58645 GPRESSAVG: 2170800 -1.04943 -37.7765 -18.9523 -36.3732 61.6004 10.36 -19.1263 10.1772 4.25458 TIMING: 2170800 CPU: 6848.67, 0.00317558/step Wall: 6848.67, 0.00317558/step, 2.49565 hours remaining, 239.714844 MB of memory in use. ENERGY: 2170800 4038.6911 20435.4405 14463.3791 226.5362 -203362.1873 2341.4946 0.0000 0.0000 52214.1305 -109642.5153 300.0753 -161856.6458 -109283.0226 299.1123 8.4399 32.1464 759888.9064 21.5760 21.6018 PRESSURE: 2171000 32.1028 -166.183 27.4288 -166.182 -175.328 -13.3812 27.4293 -13.3814 -225.902 GPRESSURE: 2171000 86.5403 -163.843 80.059 -106.274 -142.871 42.5875 4.08382 -26.5711 -222.767 PRESSAVG: 2171000 -27.6165 -79.681 16.8972 -79.6811 19.12 -2.9981 16.8973 -2.99811 -14.6378 GPRESSAVG: 2171000 -26.7035 -81.9718 15.9514 -79.602 19.3294 -4.0378 18.5827 -0.104679 -15.6627 TIMING: 2171000 CPU: 6849.31, 0.00317099/step Wall: 6849.31, 0.00317099/step, 2.49187 hours remaining, 239.714844 MB of memory in use. ENERGY: 2171000 4017.3779 20383.5925 14460.8611 220.8738 -203229.4371 2476.3995 0.0000 0.0000 52039.9715 -109630.3608 299.0744 -161670.3324 -109264.4924 298.8926 -123.0425 -93.0325 760569.1120 -7.7114 -7.6789 PRESSURE: 2171200 -36.501 53.2162 -226.111 53.2162 -263.986 99.0427 -226.111 99.0417 -43.1478 GPRESSURE: 2171200 14.7577 83.0672 -182.844 44.6622 -120.325 16.2434 -211.44 40.2823 -160.495 PRESSAVG: 2171200 6.76478 -10.3872 28.3626 -10.3872 -18.5373 41.6055 28.3626 41.6054 12.5835 GPRESSAVG: 2171200 6.36764 -8.31197 29.0283 -11.3892 -16.967 42.711 27.1642 38.8336 11.4909 TIMING: 2171200 CPU: 6849.95, 0.00321275/step Wall: 6849.95, 0.00321275/step, 2.52451 hours remaining, 239.714844 MB of memory in use. ENERGY: 2171200 3989.3524 20556.0628 14493.3219 243.5096 -203407.9621 2429.7623 0.0000 0.0000 52145.9167 -109550.0364 299.6833 -161695.9531 -109194.4957 298.9874 -114.5449 -88.6873 761451.6985 0.2703 0.2972 PRESSURE: 2171400 169.165 60.6204 -129.506 60.6207 198.124 107.333 -129.506 107.333 174.969 GPRESSURE: 2171400 218.241 106.758 -219.58 67.8213 154.597 195.751 -29.5488 90.8517 257.01 PRESSAVG: 2171400 19.7812 -54.2938 -51.0314 -54.2938 1.00604 -0.646263 -51.0313 -0.646324 -2.10674 GPRESSAVG: 2171400 20.1842 -54.5667 -50.9939 -53.6296 -0.839563 -0.932898 -50.9839 -1.04306 -0.499572 TIMING: 2171400 CPU: 6850.59, 0.00319415/step Wall: 6850.59, 0.00319415/step, 2.50971 hours remaining, 239.714844 MB of memory in use. ENERGY: 2171400 3906.4955 20391.7561 14432.2948 252.8926 -203553.6427 2654.4925 0.0000 0.0000 52231.7273 -109683.9839 300.1765 -161915.7111 -109313.1807 299.0264 180.7528 209.9494 759002.0631 6.2268 6.2817 PRESSURE: 2171600 170.661 -93.6939 -195.941 -93.6925 30.174 -34.2548 -195.941 -34.2558 350.684 GPRESSURE: 2171600 231.817 -120.908 -196.011 -7.47641 52.7973 -12.2537 -132.448 66.9927 335.083 PRESSAVG: 2171600 -37.3812 4.82341 56.7946 4.82339 -3.42524 -9.12624 56.7947 -9.12623 21.6685 GPRESSAVG: 2171600 -38.2888 3.96626 56.6958 5.81009 -3.81485 -8.29039 55.8485 -7.77858 22.8156 TIMING: 2171600 CPU: 6851.22, 0.00315487/step Wall: 6851.22, 0.00315487/step, 2.47868 hours remaining, 239.714844 MB of memory in use. ENERGY: 2171600 3899.0273 20526.2901 14490.1301 259.1105 -203300.2823 2526.7851 0.0000 0.0000 51899.1369 -109699.8022 298.2651 -161598.9391 -109336.2497 298.8625 183.8397 206.5658 759885.0141 -6.3793 -6.4293 PRESSURE: 2171800 -344.178 54.2192 88.1855 54.2189 19.9772 -103.053 88.186 -103.054 -182.976 GPRESSURE: 2171800 -313.887 233.821 37.4151 4.98512 73.8974 -134.42 13.427 -174.087 -179.063 PRESSAVG: 2171800 -40.3661 -10.9147 27.6302 -10.9147 12.439 -5.2319 27.6302 -5.23188 -11.0615 GPRESSAVG: 2171800 -39.652 -11.0973 26.7722 -10.6373 13.7161 -6.80844 28.3682 -6.08134 -12.6753 TIMING: 2171800 CPU: 6851.85, 0.00315049/step Wall: 6851.85, 0.00315049/step, 2.47506 hours remaining, 239.714844 MB of memory in use. ENERGY: 2171800 3980.2633 20585.2105 14509.3423 229.4711 -203197.5437 2429.5037 0.0000 0.0000 51936.2398 -109527.5132 298.4783 -161463.7530 -109165.5759 299.1837 -169.0589 -139.6842 761639.7574 -12.9962 -12.8704 PRESSURE: 2172000 -263.288 37.5387 -212.37 37.5384 -73.4954 -220.203 -212.371 -220.202 272.255 GPRESSURE: 2172000 -318.137 20.7649 -212.585 67.9893 63.2358 -206.172 -235.483 -117.509 277.396 PRESSAVG: 2172000 -33.9791 -11.7598 7.48392 -11.7598 48.7176 51.7639 7.48396 51.7639 13.2084 GPRESSAVG: 2172000 -34.6174 -11.6259 8.33664 -13.7379 49.5813 52.6426 5.7968 51.6185 12.4736 TIMING: 2172000 CPU: 6852.48, 0.00317426/step Wall: 6852.48, 0.00317426/step, 2.49355 hours remaining, 239.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2172000 3994.4154 20605.5932 14502.5039 248.1494 -203184.4199 2369.4519 0.0000 0.0000 51894.7932 -109569.5131 298.2401 -161464.3063 -109201.9226 299.0356 -21.5096 7.4986 761641.9523 9.3156 9.1458 PRESSURE: 2172200 -20.5169 168.033 113.527 168.033 160.678 98.9443 113.528 98.9445 662.032 GPRESSURE: 2172200 66.3193 224.568 113.69 122.793 214.585 29.742 114.49 212.974 604.049 PRESSAVG: 2172200 13.51 10.1819 -12.6798 10.1819 -42.9035 8.27737 -12.6797 8.27735 1.15906 GPRESSAVG: 2172200 13.4007 10.4499 -13.3418 11.5417 -43.8371 7.93132 -10.4606 8.26996 1.60455 TIMING: 2172200 CPU: 6853.12, 0.00316298/step Wall: 6853.12, 0.00316298/step, 2.48452 hours remaining, 239.714844 MB of memory in use. ENERGY: 2172200 3998.5216 20545.5221 14542.3411 247.7207 -203390.3850 2665.4460 0.0000 0.0000 51870.5117 -109520.3217 298.1005 -161390.8334 -109162.8779 298.7436 267.3977 294.9844 759969.8410 -9.4115 -9.6106 LDB: ============= START OF LOAD BALANCING ============== 6865.52 LDB: ============== END OF LOAD BALANCING =============== 6865.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.52 LDB: ============= START OF LOAD BALANCING ============== 6865.84 LDB: Largest compute 7076 load 0.036111 is 18.4% of average load 0.195825 LDB: Average compute 0.004413 is 2.3% of average load 0.195825 LDB: TIME 6865.84 LOAD: AVG 0.195825 MAX 0.216517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 6865.84 LOAD: AVG 0.195825 MAX 0.216517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 6865.84 LOAD: AVG 0.195825 MAX 0.216517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 6865.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.85 PRESSURE: 2172400 12.8555 6.46861 89.4494 6.46999 -33.9425 -232.271 89.4496 -232.271 -286.335 GPRESSURE: 2172400 -0.129036 -6.15017 95.1819 -86.2768 47.2567 -206.944 25.1583 -146.634 -263.929 PRESSAVG: 2172400 24.929 -19.429 61.4103 -19.429 -35.3125 -22.3903 61.4102 -22.3903 -11.2155 GPRESSAVG: 2172400 24.0271 -20.4616 64.0791 -19.7229 -34.3057 -22.8851 60.981 -19.7264 -11.3114 TIMING: 2172400 CPU: 6853.76, 0.00323944/step Wall: 6853.76, 0.00323944/step, 2.5444 hours remaining, 239.386719 MB of memory in use. ENERGY: 2172400 3983.0174 20632.8594 14500.6415 236.5803 -203405.8208 2449.3752 0.0000 0.0000 51942.7176 -109660.6295 298.5155 -161603.3471 -109299.6881 299.4682 -102.4740 -72.2671 761116.7820 -7.1997 -7.1967 PRESSURE: 2172600 266.616 -12.7099 -31.7827 -12.7102 144.416 167.089 -31.7835 167.089 -143.156 GPRESSURE: 2172600 325.012 29.7125 13.4558 -40.9746 172.936 128.74 -206.764 151.919 -147.18 PRESSAVG: 2172600 9.52948 25.0151 32.9685 25.0151 -27.3579 23.693 32.9685 23.693 11.6914 GPRESSAVG: 2172600 10.0552 26.4902 31.2328 22.8998 -27.692 22.858 31.4529 21.3254 11.4871 TIMING: 2172600 CPU: 6854.4, 0.00317119/step Wall: 6854.4, 0.00317119/step, 2.49062 hours remaining, 239.386719 MB of memory in use. ENERGY: 2172600 3902.2203 20558.8690 14428.2076 246.6397 -203641.2039 2658.7473 0.0000 0.0000 52007.8927 -109838.6273 298.8901 -161846.5200 -109479.7439 299.0498 89.2918 116.9225 761210.8680 -2.0457 -2.0499 PRESSURE: 2172800 109.991 68.737 -41.4424 68.737 -31.5637 48.4381 -41.4419 48.4375 74.5172 GPRESSURE: 2172800 170.861 -77.0026 -56.1777 131.528 -65.1393 68.712 -124.942 -16.4875 118.11 PRESSAVG: 2172800 37.6513 -2.69584 -33.2367 -2.6958 -24.2806 1.44763 -33.2367 1.44762 -13.0427 GPRESSAVG: 2172800 37.8337 -2.55342 -34.5461 -0.636896 -24.2371 2.24127 -30.9064 1.54684 -13.0182 TIMING: 2172800 CPU: 6855.03, 0.00316262/step Wall: 6855.03, 0.00316262/step, 2.48371 hours remaining, 239.386719 MB of memory in use. ENERGY: 2172800 4003.7861 20512.0575 14444.8717 254.2753 -203634.5260 2643.1242 0.0000 0.0000 51869.9052 -109906.5062 298.0971 -161776.4113 -109538.2543 298.7373 50.9815 74.6107 759936.2776 0.1093 0.1928 PRESSURE: 2173000 -245.064 116.853 105.905 116.854 -1.8091 -72.4391 105.904 -72.4402 -6.41744 GPRESSURE: 2173000 -183.296 35.7014 60.6396 -19.4664 32.4331 -38.1332 168.369 -95.4886 -24.0861 PRESSAVG: 2173000 -24.5624 -39.0624 -6.06677 -39.0624 56.7589 1.07769 -6.0668 1.07779 -21.9283 GPRESSAVG: 2173000 -24.4763 -38.4433 -6.57259 -39.8644 56.3475 0.961505 -6.6787 1.73729 -21.2655 TIMING: 2173000 CPU: 6855.66, 0.00314871/step Wall: 6855.66, 0.00314871/step, 2.47261 hours remaining, 239.386719 MB of memory in use. ENERGY: 2173000 4066.2994 20395.6581 14426.7267 272.1687 -203750.8168 2504.0312 0.0000 0.0000 51910.5048 -110175.4278 298.3304 -162085.9326 -109817.2130 297.9243 -84.4301 -58.3164 760620.1142 3.4227 3.5352 PRESSURE: 2173200 66.075 -145.994 -30.5755 -145.993 -194.255 -65.329 -30.5749 -65.3295 -8.50133 GPRESSURE: 2173200 100.937 -71.9344 13.3949 -227.506 -101.731 -1.36698 -13.6606 -231.172 -51.4961 PRESSAVG: 2173200 -10.5782 -53.5801 13.5489 -53.5801 -1.88168 10.8299 13.5489 10.8299 6.93575 GPRESSAVG: 2173200 -9.41699 -55.1633 14.4321 -52.4686 -1.77294 10.7842 13.8544 11.7477 5.55703 TIMING: 2173200 CPU: 6856.3, 0.00317254/step Wall: 6856.3, 0.00317254/step, 2.49115 hours remaining, 239.386719 MB of memory in use. ENERGY: 2173200 3940.4523 20377.2502 14476.2342 271.1998 -203595.7760 2576.2048 0.0000 0.0000 51926.8994 -110027.5353 298.4246 -161954.4347 -109667.9346 297.9478 -45.5603 -17.4299 760681.3818 -1.8414 -1.8776 PRESSURE: 2173400 179.491 71.4118 -113.78 71.4119 56.2414 116.327 -113.78 116.327 -250.585 GPRESSURE: 2173400 142.516 202.177 -219.276 107.214 70.176 230.97 -38.9571 -0.264411 -135.122 PRESSAVG: 2173400 22.2654 -3.68224 11.0711 -3.68225 -29.2927 -3.9326 11.0711 -3.93257 21.7532 GPRESSAVG: 2173400 21.6371 -1.38769 11.1104 -4.6736 -30.283 -3.47044 10.6931 -3.83716 23.0862 TIMING: 2173400 CPU: 6856.93, 0.00319723/step Wall: 6856.93, 0.00319723/step, 2.51036 hours remaining, 239.386719 MB of memory in use. ENERGY: 2173400 3887.2169 20402.7573 14389.1404 258.8578 -203927.5354 2894.2596 0.0000 0.0000 51941.8957 -110153.4077 298.5108 -162095.3033 -109784.1064 297.9087 -4.9509 25.8569 760001.0553 4.9086 4.8135 PRESSURE: 2173600 -320.301 166.006 -138.495 166.005 -310.836 101.271 -138.495 101.271 -163.319 GPRESSURE: 2173600 -382.719 94.733 -199.141 218.744 -245.038 109.31 -127.277 -31.7918 -89.4866 PRESSAVG: 2173600 26.9049 15.7498 46.7094 15.7498 -18.8413 -42.9476 46.7094 -42.9475 12.0018 GPRESSAVG: 2173600 26.1162 12.9293 47.0805 17.6207 -18.7676 -42.4934 46.4929 -45.0838 12.6919 TIMING: 2173600 CPU: 6857.57, 0.00318292/step Wall: 6857.57, 0.00318292/step, 2.49895 hours remaining, 239.386719 MB of memory in use. ENERGY: 2173600 3941.0401 20462.7201 14459.4835 260.6195 -203562.4012 2541.8241 0.0000 0.0000 52004.0185 -109892.6954 298.8678 -161896.7139 -109531.1598 298.6324 -264.8189 -239.0811 761124.8197 6.6885 6.6802 PRESSURE: 2173800 -181.137 -104.9 209.048 -104.9 -37.318 -64.2556 209.047 -64.2554 133.083 GPRESSURE: 2173800 -57.1802 -336.213 261.337 -53.4159 -84.0674 -46.7184 182.946 -96.1694 128.216 PRESSAVG: 2173800 -21.1636 31.2142 -53.7597 31.2141 -9.15254 -45.9851 -53.7597 -45.9851 0.827051 GPRESSAVG: 2173800 -20.8758 31.3999 -53.6628 29.5194 -8.82682 -46.6578 -53.1723 -46.11 0.0216919 TIMING: 2173800 CPU: 6858.21, 0.00318058/step Wall: 6858.21, 0.00318058/step, 2.49693 hours remaining, 239.386719 MB of memory in use. ENERGY: 2173800 4013.2239 20618.9378 14397.0318 248.9582 -203349.6486 2310.1336 0.0000 0.0000 52087.7736 -109673.5897 299.3492 -161761.3633 -109316.8415 298.9683 -28.4574 -4.3438 760950.8575 -9.8297 -9.8937 PRESSURE: 2174000 -24.7598 -8.36893 -179.236 -8.36909 -384.759 133.078 -179.236 133.079 49.2354 GPRESSURE: 2174000 -1.596 50.766 -218.473 57.9692 -328.102 155.332 -196.296 43.7818 80.4038 PRESSAVG: 2174000 -20.3931 -6.49711 16.67 -6.49717 1.25422 -12.41 16.67 -12.41 3.54315 GPRESSAVG: 2174000 -21.2635 -5.59002 15.3427 -6.31447 0.678003 -13.3415 15.9754 -10.8744 5.02226 TIMING: 2174000 CPU: 6858.84, 0.00318715/step Wall: 6858.84, 0.00318715/step, 2.50191 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2174000 4051.3206 20298.3672 14450.8728 247.4721 -203624.6517 2405.9490 0.0000 0.0000 52289.3081 -109881.3620 300.5074 -162170.6700 -109514.5657 299.2189 -120.0946 -83.0982 760200.3004 -5.1986 -5.1877 PRESSURE: 2174200 116.748 -107.206 -10.1881 -107.207 47.3111 -171.773 -10.1879 -171.773 -133.069 GPRESSURE: 2174200 169.955 -153.923 -33.0871 -105.892 57.6062 -173.539 63.1634 -53.0933 -112.207 PRESSAVG: 2174200 -3.47134 -41.3884 14.2235 -41.3884 -0.331318 57.6648 14.2236 57.6648 -24.1015 GPRESSAVG: 2174200 -3.12175 -42.0278 13.8327 -41.9566 0.329652 58.6183 12.3817 56.8745 -24.8154 TIMING: 2174200 CPU: 6859.48, 0.00316837/step Wall: 6859.48, 0.00316837/step, 2.487 hours remaining, 239.386719 MB of memory in use. ENERGY: 2174200 3987.9520 20501.9989 14446.6703 246.0271 -203419.7001 2598.0819 0.0000 0.0000 51952.8002 -109686.1698 298.5735 -161638.9700 -109313.9098 298.8220 10.3299 38.4515 761189.8092 -9.3014 -9.2025 PRESSURE: 2174400 -228.518 186.387 -77.9301 186.387 -115.248 178.811 -77.9308 178.811 -180.967 GPRESSURE: 2174400 -200.42 98.1049 -12.6781 129.432 -131.525 212.441 -80.4269 98.1191 -107.994 PRESSAVG: 2174400 -13.7723 -5.97588 -26.9762 -5.97589 -3.68677 10.2232 -26.9761 10.2232 -2.70418 GPRESSAVG: 2174400 -13.9417 -4.82644 -26.2868 -7.52905 -3.27794 12.1062 -27.0394 10.1596 -3.61673 TIMING: 2174400 CPU: 6860.11, 0.00318258/step Wall: 6860.11, 0.00318259/step, 2.49798 hours remaining, 239.386719 MB of memory in use. ENERGY: 2174400 4015.6409 20449.7334 14383.4448 260.6409 -202948.6098 2196.7310 0.0000 0.0000 52262.7571 -109379.6616 300.3548 -161642.4187 -109012.5280 299.6856 -174.9111 -146.6464 761699.1960 -6.7211 -6.9455 PRESSURE: 2174600 -162.597 275.705 189.859 275.705 -241.98 -212.017 189.859 -212.017 299.614 GPRESSURE: 2174600 -29.4349 313.723 110.661 122.157 -290.758 -100.569 135.196 -223.654 312.18 PRESSAVG: 2174600 19.8036 -31.4054 -6.15818 -31.4054 30.5674 48.664 -6.15821 48.664 16.0238 GPRESSAVG: 2174600 21.552 -30.8656 -5.19647 -29.0582 29.1488 48.5116 -3.93999 48.0435 15.5154 TIMING: 2174600 CPU: 6860.75, 0.00316719/step Wall: 6860.75, 0.00316719/step, 2.48571 hours remaining, 239.386719 MB of memory in use. ENERGY: 2174600 3979.6673 20489.6421 14427.6232 232.0931 -203324.0747 2531.1666 0.0000 0.0000 52209.3615 -109454.5208 300.0479 -161663.8823 -109085.3505 300.1571 -34.9874 -2.6712 761039.6789 22.1316 22.0720 PRESSURE: 2174800 131.338 -165.997 -79.0019 -165.997 -299.274 137.888 -79.0024 137.888 273.205 GPRESSURE: 2174800 253.073 -149.668 6.86083 -6.36583 -326.193 104.485 1.48435 108.341 274.166 PRESSAVG: 2174800 3.12836 -44.0195 -10.4391 -44.0194 -47.9433 62.097 -10.4391 62.097 -0.137831 GPRESSAVG: 2174800 2.99571 -45.7616 -11.6858 -42.7468 -48.2879 62.1587 -10.947 63.4009 0.119912 TIMING: 2174800 CPU: 6861.39, 0.00319064/step Wall: 6861.39, 0.00319064/step, 2.50394 hours remaining, 239.386719 MB of memory in use. ENERGY: 2174800 3965.4450 20449.6292 14386.8700 242.3155 -203239.4470 2628.0756 0.0000 0.0000 52174.8659 -109392.2457 299.8497 -161567.1117 -109015.6109 299.9636 35.0898 67.0154 760698.2579 -14.9842 -15.0574 PRESSURE: 2175000 287.198 -34.481 -10.4188 -34.4815 -66.5329 -176.384 -10.4186 -176.384 225.37 GPRESSURE: 2175000 309.782 -67.2261 -22.2944 -49.1836 4.723 -166.64 -22.4417 -152.162 222.723 PRESSAVG: 2175000 24.5505 -10.8181 18.422 -10.8181 2.88445 25.5418 18.422 25.5418 -12.3994 GPRESSAVG: 2175000 24.47 -8.56326 19.3594 -13.3646 1.66027 26.9322 18.3231 26.4493 -11.6689 TIMING: 2175000 CPU: 6862.03, 0.00319357/step Wall: 6862.03, 0.00319357/step, 2.50607 hours remaining, 239.386719 MB of memory in use. ENERGY: 2175000 4007.3495 20655.9183 14410.7888 257.1713 -203693.3800 2624.8992 0.0000 0.0000 52275.4334 -109461.8194 300.4276 -161737.2528 -109108.4853 300.0341 148.6784 179.0762 760611.8107 5.0118 4.8205 PRESSURE: 2175200 -15.0304 -133.656 -191.089 -133.656 -415.54 186.876 -191.089 186.875 -242.769 GPRESSURE: 2175200 38.1714 -187.37 -148.939 -198.667 -387.963 118.731 -284.193 109.086 -238.878 PRESSAVG: 2175200 22.0241 -23.3488 -29.7651 -23.3488 -31.194 1.26154 -29.7651 1.26158 4.95333 GPRESSAVG: 2175200 21.0845 -24.6482 -30.3862 -22.5834 -30.0344 0.374611 -30.3068 -1.0769 4.67963 TIMING: 2175200 CPU: 6862.66, 0.00319801/step Wall: 6862.66, 0.00319801/step, 2.50937 hours remaining, 239.386719 MB of memory in use. ENERGY: 2175200 4026.9940 20617.1125 14494.4757 245.0062 -203168.1329 2228.3279 0.0000 0.0000 52089.9935 -109466.2231 299.3619 -161556.2166 -109108.1527 300.0335 -224.4465 -196.2232 761316.7818 -1.4055 -1.4234 PRESSURE: 2175400 -208.919 -23.6614 -114.196 -23.6608 298.461 -124.394 -114.197 -124.394 304.99 GPRESSURE: 2175400 -176.108 82.3618 -86.0015 -62.2265 261.922 -116.323 -49.7301 -140.57 388.948 PRESSAVG: 2175400 49.4679 -42.9822 -6.19122 -42.9823 15.8374 4.62939 -6.19118 4.62935 -11.4353 GPRESSAVG: 2175400 48.7968 -42.5729 -4.57311 -42.0996 14.7641 3.11083 -5.8779 4.62605 -10.6094 TIMING: 2175400 CPU: 6863.3, 0.00319347/step Wall: 6863.3, 0.00319347/step, 2.50563 hours remaining, 239.386719 MB of memory in use. ENERGY: 2175400 3944.2734 20458.8035 14393.7291 268.0564 -203086.8629 2324.6987 0.0000 0.0000 52434.4124 -109262.8894 301.3413 -161697.3018 -108893.6128 299.9055 131.5105 158.2541 760913.6082 17.9566 17.6505 PRESSURE: 2175600 -351.232 22.6361 -105.228 22.6363 -248.693 -199.416 -105.227 -199.416 -105.589 GPRESSURE: 2175600 -286.462 171.835 -149.352 41.7006 -236.652 -299.93 -58.4577 -144.172 -119.052 PRESSAVG: 2175600 -26.193 -52.0777 -1.76132 -52.0776 17.2286 -40.6329 -1.76135 -40.6329 -12.0333 GPRESSAVG: 2175600 -25.477 -53.3231 -3.62499 -50.7639 17.8857 -40.974 1.03264 -39.8295 -13.1669 TIMING: 2175600 CPU: 6863.94, 0.00317427/step Wall: 6863.94, 0.00317427/step, 2.49039 hours remaining, 239.386719 MB of memory in use. ENERGY: 2175600 4103.1458 20655.8861 14456.4873 249.6726 -203534.9049 2513.0855 0.0000 0.0000 52200.3981 -109356.2295 299.9964 -161556.6276 -109000.1865 300.5024 -235.1714 -214.0553 758386.5597 -6.9992 -6.9194 PRESSURE: 2175800 -45.6182 -111.613 -196.662 -111.612 -11.8811 -89.5247 -196.662 -89.5235 -131.389 GPRESSURE: 2175800 -25.3411 -13.4773 -166.136 -24.4066 68.5948 -118.695 -180.813 -73.7732 -141.486 PRESSAVG: 2175800 -22.5327 -17.3373 -35.1164 -17.3373 47.984 -51.7924 -35.1165 -51.7924 -3.78094 GPRESSAVG: 2175800 -23.387 -17.8671 -33.2853 -18.7922 48.0376 -52.1637 -38.1668 -53.2029 -3.07946 TIMING: 2175800 CPU: 6864.57, 0.0031819/step Wall: 6864.57, 0.0031819/step, 2.4962 hours remaining, 239.386719 MB of memory in use. ENERGY: 2175800 3965.8531 20581.0653 14361.2054 247.7336 -203135.4952 2307.3103 0.0000 0.0000 52215.3967 -109456.9309 300.0826 -161672.3275 -109104.4124 299.9614 -62.9629 -32.7442 761084.4566 7.2235 7.1904 PRESSURE: 2176000 -153.607 -28.1069 -8.82685 -28.1062 3.34875 59.0251 -8.82575 59.0247 11.3918 GPRESSURE: 2176000 -140.176 66.7255 46.1709 51.7198 64.1434 85.0891 -157.363 -105.288 27.6238 PRESSAVG: 2176000 1.61549 -1.14105 7.34898 -1.14105 -8.44641 -15.9205 7.34894 -15.9205 9.49605 GPRESSAVG: 2176000 2.6883 0.758723 8.27727 -2.19606 -9.964 -13.6782 8.40072 -14.6099 9.30365 TIMING: 2176000 CPU: 6865.21, 0.00315786/step Wall: 6865.21, 0.00315786/step, 2.47716 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2176000 4057.7628 20625.1342 14426.0058 260.0046 -203223.1593 2304.1122 0.0000 0.0000 51974.7322 -109575.4074 298.6995 -161550.1396 -109210.6133 299.5845 -46.2889 -16.1364 758925.2987 0.8884 0.6760 PRESSURE: 2176200 580.543 -110.772 20.747 -110.772 -39.3609 -57.8554 20.7476 -57.8549 -35.3751 GPRESSURE: 2176200 547.835 -113.905 71.168 -85.148 85.8658 -2.9433 -60.5037 -36.2681 -46.0626 PRESSAVG: 2176200 3.3299 -33.1016 -5.87867 -33.1016 -19.296 -63.2823 -5.87867 -63.2823 1.67923 GPRESSAVG: 2176200 2.7745 -35.7188 -8.20387 -31.8253 -19.084 -64.5797 -4.75446 -63.5886 2.11182 TIMING: 2176200 CPU: 6865.84, 0.003172/step Wall: 6865.84, 0.003172/step, 2.48808 hours remaining, 239.386719 MB of memory in use. ENERGY: 2176200 3980.8032 20642.1854 14422.5559 240.1663 -203563.8350 2687.3564 0.0000 0.0000 52114.5782 -109476.1895 299.5032 -161590.7677 -109113.7803 299.8203 168.6024 195.8795 759123.5803 -4.7623 -4.7326 LDB: ============= START OF LOAD BALANCING ============== 6878.24 LDB: ============== END OF LOAD BALANCING =============== 6878.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6878.25 LDB: ============= START OF LOAD BALANCING ============== 6878.56 LDB: Largest compute 7034 load 0.034447 is 17.6% of average load 0.195994 LDB: Average compute 0.004396 is 2.2% of average load 0.195994 LDB: TIME 6878.57 LOAD: AVG 0.195994 MAX 0.216523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.195 MB LDB: TIME 6878.57 LOAD: AVG 0.195994 MAX 0.216523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 6878.57 LOAD: AVG 0.195994 MAX 0.216523 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 6878.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6878.57 PRESSURE: 2176400 116.328 21.494 -128.919 21.495 182.344 -134.971 -128.92 -134.971 107.715 GPRESSURE: 2176400 162.017 40.3582 -175.802 110.653 268.615 -81.7436 -186.906 -100.432 68.1212 PRESSAVG: 2176400 -1.52214 -67.6337 -26.1403 -67.6337 22.6075 -4.0986 -26.1403 -4.09862 17.0662 GPRESSAVG: 2176400 -0.458333 -66.1864 -24.8623 -67.3572 22.1903 -3.44019 -28.3429 -4.36169 16.3852 TIMING: 2176400 CPU: 6866.49, 0.0032537/step Wall: 6866.49, 0.0032537/step, 2.55199 hours remaining, 237.843750 MB of memory in use. ENERGY: 2176400 3935.0494 20605.1045 14375.3624 267.9546 -203383.3586 2651.6811 0.0000 0.0000 52055.8018 -109492.4048 299.1654 -161548.2066 -109124.1745 299.2586 135.4626 166.2510 760074.8835 12.7172 12.7057 PRESSURE: 2176600 -66.4796 -20.575 206.209 -20.5754 93.1566 193.874 206.208 193.873 -47.9318 GPRESSURE: 2176600 -56.2702 -82.8355 232.278 -76.2491 102.287 238.416 16.8985 100.095 12.683 PRESSAVG: 2176600 -13.8685 -23.8286 2.44996 -23.8286 36.2994 10.9694 2.44999 10.9693 -13.0279 GPRESSAVG: 2176600 -15.1653 -22.1362 1.43703 -23.5864 36.4168 10.0919 2.4088 13.1484 -11.9789 TIMING: 2176600 CPU: 6867.12, 0.00316599/step Wall: 6867.12, 0.00316599/step, 2.48302 hours remaining, 238.046875 MB of memory in use. ENERGY: 2176600 3960.2367 20693.5569 14423.1554 230.7562 -202925.9101 2240.2007 0.0000 0.0000 51972.4758 -109405.5285 298.6865 -161378.0043 -109038.5809 299.4533 -7.0850 19.5665 760459.5210 3.1343 3.0909 PRESSURE: 2176800 -100.036 28.7019 139.907 28.7031 -313.497 -66.9106 139.908 -66.9108 -182.686 GPRESSURE: 2176800 -33.6882 47.7407 79.5821 37.0099 -250.183 -120.676 97.497 109.055 -230.26 PRESSAVG: 2176800 -41.8585 -14.5015 -40.6121 -14.5015 16.4618 -15.7069 -40.6121 -15.7069 -16.7932 GPRESSAVG: 2176800 -39.9558 -15.0906 -42.215 -16.1297 16.4133 -15.4769 -37.2802 -16.271 -18.2666 TIMING: 2176800 CPU: 6867.76, 0.0031691/step Wall: 6867.76, 0.0031691/step, 2.48528 hours remaining, 238.046875 MB of memory in use. ENERGY: 2176800 3953.0490 20495.5571 14469.9128 243.3712 -202869.1122 2325.8713 0.0000 0.0000 51945.7969 -109435.5539 298.5332 -161381.3508 -109072.1882 299.2657 -198.7395 -171.3771 761285.6636 -14.0633 -13.9364 PRESSURE: 2177000 -142.042 8.26999 -116.584 8.26958 -11.3956 287.196 -116.585 287.196 -172.288 GPRESSURE: 2177000 -71.1964 120.539 -91.0904 40.2683 -23.679 246.064 -95.4608 163.058 -134.286 PRESSAVG: 2177000 -10.6204 -59.0463 5.91945 -59.0462 4.06384 10.6188 5.91945 10.6188 1.64322 GPRESSAVG: 2177000 -10.1447 -57.4645 8.42905 -58.762 3.87287 11.8174 4.15669 9.27636 2.06053 TIMING: 2177000 CPU: 6868.4, 0.00320831/step Wall: 6868.4, 0.00320831/step, 2.51585 hours remaining, 238.046875 MB of memory in use. ENERGY: 2177000 4055.8430 20705.4146 14417.9846 250.5173 -203406.8476 2397.3684 0.0000 0.0000 52078.8998 -109500.8200 299.2982 -161579.7198 -109148.6364 299.3933 -108.5752 -76.3873 761020.5162 -1.6378 -1.4038 PRESSURE: 2177200 -23.7322 68.1094 36.792 68.1096 47.0328 -149.341 36.7926 -149.341 -77.3769 GPRESSURE: 2177200 -23.4797 -78.5244 48.4853 12.9537 161.967 -225.974 -49.9235 -55.5999 -124.02 PRESSAVG: 2177200 -39.1103 -1.60463 -2.48202 -1.60459 38.2938 0.558207 -2.48205 0.55814 7.7125 GPRESSAVG: 2177200 -39.7483 -3.53807 -4.62036 -0.584339 39.5476 -1.39988 -2.11468 1.43517 7.02948 TIMING: 2177200 CPU: 6869.03, 0.00315604/step Wall: 6869.03, 0.00315604/step, 2.47469 hours remaining, 238.046875 MB of memory in use. ENERGY: 2177200 4031.2162 20567.7212 14428.7268 244.5594 -203370.5788 2452.9928 0.0000 0.0000 52143.2709 -109502.0915 299.6681 -161645.3623 -109134.1278 299.0425 -18.0254 4.8225 761338.3586 2.2987 2.2763 PRESSURE: 2177400 -56.0418 124.88 82.1982 124.879 62.0727 148.833 82.1982 148.833 -192.617 GPRESSURE: 2177400 -45.0139 11.8136 154.455 15.1859 35.0756 236.76 -33.2309 103.492 -105.279 PRESSAVG: 2177400 -7.38095 2.46431 -32.8567 2.4643 -3.38109 -6.10111 -32.8567 -6.10108 -5.66243 GPRESSAVG: 2177400 -7.53491 3.51459 -30.7529 0.209326 -4.07562 -3.13502 -33.1275 -7.76019 -5.04807 TIMING: 2177400 CPU: 6869.66, 0.00316474/step Wall: 6869.66, 0.00316474/step, 2.48133 hours remaining, 238.046875 MB of memory in use. ENERGY: 2177400 4029.3334 20556.5759 14468.8606 243.3120 -203674.3100 2621.4348 0.0000 0.0000 52113.3216 -109641.4717 299.4960 -161754.7934 -109280.3669 298.9191 -62.1953 -38.4056 760703.1415 -5.4748 -5.5529 PRESSURE: 2177600 410.405 34.3734 58.1352 34.3731 -238.677 130.481 58.1352 130.481 201.424 GPRESSURE: 2177600 433.172 1.09683 91.2911 20.6094 -115.932 71.203 32.0744 93.9982 155.82 PRESSAVG: 2177600 79.2529 -19.6523 12.3289 -19.6523 -81.0068 -17.1427 12.3289 -17.1427 0.358213 GPRESSAVG: 2177600 79.4018 -21.3456 12.4339 -18.6042 -81.2118 -18.8237 13.015 -17.0435 0.530088 TIMING: 2177600 CPU: 6870.29, 0.00315231/step Wall: 6870.29, 0.00315231/step, 2.47141 hours remaining, 238.046875 MB of memory in use. ENERGY: 2177600 3931.7314 20492.7785 14475.4299 234.6870 -203376.0889 2435.9876 0.0000 0.0000 52284.4547 -109521.0199 300.4795 -161805.4746 -109149.2012 299.2946 124.3842 157.6870 760974.0783 -0.4652 -0.4266 PRESSURE: 2177800 -233.819 93.4601 -50.9663 93.4614 161.303 1.9619 -50.966 1.96189 -345.436 GPRESSURE: 2177800 -200.176 94.5524 -14.5114 175.278 101.685 -8.76766 -22.4813 14.7017 -236.18 PRESSAVG: 2177800 34.1209 23.0151 -18.9992 23.0151 -12.7097 -21.9661 -18.9992 -21.9661 -24.1913 GPRESSAVG: 2177800 34.0959 23.4232 -18.2617 23.9018 -12.9504 -22.2567 -20.4029 -23.1983 -23.985 TIMING: 2177800 CPU: 6870.93, 0.00316619/step Wall: 6870.93, 0.00316619/step, 2.48212 hours remaining, 238.046875 MB of memory in use. ENERGY: 2177800 3960.2954 20722.3849 14488.3727 247.4074 -203563.1656 2295.6861 0.0000 0.0000 52159.0646 -109689.9546 299.7589 -161849.0192 -109318.8548 298.9158 -139.3174 -111.5570 760482.5374 -0.9267 -0.9465 PRESSURE: 2178000 205.884 -62.6723 48.3336 -62.6724 21.5096 72.2044 48.3333 72.2038 80.0744 GPRESSURE: 2178000 211.144 -49.5475 -79.5375 -101.07 52.1544 129.87 118.572 26.4836 114.435 PRESSAVG: 2178000 13.726 -20.9078 -11.043 -20.9078 24.4023 21.8373 -11.0431 21.8373 13.5783 GPRESSAVG: 2178000 12.6122 -21.78 -13.9064 -20.7595 25.0187 23.1884 -9.39446 21.758 14.4489 TIMING: 2178000 CPU: 6871.57, 0.00320136/step Wall: 6871.57, 0.00320136/step, 2.50951 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2178000 3973.3524 20764.4756 14372.6569 240.8430 -203628.0701 2480.5745 0.0000 0.0000 52141.6854 -109654.4823 299.6590 -161796.1677 -109290.0747 300.0048 102.4893 125.9112 759557.5164 17.2355 17.3599 PRESSURE: 2178200 -315.349 -7.66453 211.679 -7.66496 180.169 -372.511 211.679 -372.512 256.014 GPRESSURE: 2178200 -220.139 56.7879 224.724 -64.1968 161.601 -225.676 168.493 -352.576 277.814 PRESSAVG: 2178200 8.19964 15.2557 -73.6127 15.2557 39.8021 -18.9669 -73.6128 -18.967 -24.5193 GPRESSAVG: 2178200 8.51186 16.7409 -72.0131 14.9756 39.3407 -17.9339 -73.6568 -19.4622 -24.4669 TIMING: 2178200 CPU: 6872.21, 0.00320118/step Wall: 6872.21, 0.00320118/step, 2.50919 hours remaining, 238.046875 MB of memory in use. ENERGY: 2178200 3944.1518 20644.1846 14453.8524 247.4273 -204005.0435 2828.7206 0.0000 0.0000 52200.7615 -109685.9453 299.9985 -161886.7067 -109322.9504 299.5167 40.2783 73.0919 760635.0834 7.8275 7.7952 PRESSURE: 2178400 -16.4839 -282.809 -198.871 -282.809 105.572 -22.1439 -198.87 -22.1445 185.961 GPRESSURE: 2178400 -8.63405 -181.635 -208.25 -163.765 97.5435 91.0544 -30.8872 -89.0234 259.408 PRESSAVG: 2178400 -55.2181 3.10525 25.5215 3.10527 62.8834 -26.0136 25.5214 -26.0137 -1.25685 GPRESSAVG: 2178400 -55.2436 3.80446 26.182 2.75874 63.327 -28.6896 25.3192 -25.4082 -1.49411 TIMING: 2178400 CPU: 6872.86, 0.00324037/step Wall: 6872.86, 0.00324036/step, 2.53973 hours remaining, 238.046875 MB of memory in use. ENERGY: 2178400 3915.0484 20623.1010 14452.0888 247.5645 -203656.4719 2503.8251 0.0000 0.0000 52230.9415 -109683.9026 300.1719 -161914.8441 -109325.0096 299.1487 91.6830 116.1059 759635.9435 2.1361 2.1964 PRESSURE: 2178600 -27.2197 41.673 254.95 41.6728 156.08 50.8224 254.951 50.8223 560.871 GPRESSURE: 2178600 6.84163 -37.9627 223.293 27.1558 175.18 5.05335 275.946 8.77595 582.29 PRESSAVG: 2178600 14.5736 -39.32 22.6957 -39.32 12.1638 4.04746 22.6957 4.04742 -1.69501 GPRESSAVG: 2178600 14.4305 -40.6181 21.3941 -39.5852 11.5755 5.0759 22.4486 3.38116 -0.898607 TIMING: 2178600 CPU: 6873.5, 0.0031955/step Wall: 6873.5, 0.0031955/step, 2.50439 hours remaining, 238.046875 MB of memory in use. ENERGY: 2178600 3966.8851 20530.7838 14458.6650 234.3592 -203788.6007 2616.3566 0.0000 0.0000 52321.9319 -109659.6192 300.6949 -161981.5511 -109302.4195 299.5402 229.9103 254.7706 758797.2963 8.3475 8.3691 PRESSURE: 2178800 -91.8823 26.2877 -67.9204 26.2875 -297.797 -65.7241 -67.9208 -65.7232 413.655 GPRESSURE: 2178800 -45.0998 -47.5578 -25.9649 -16.138 -158.423 -16.126 -138.775 -82.9846 300.933 PRESSAVG: 2178800 56.4622 -7.72496 3.3125 -7.72494 -5.87884 15.337 3.31254 15.3369 4.38574 GPRESSAVG: 2178800 56.379 -8.61821 4.4493 -9.43302 -3.48707 14.031 0.895712 17.8922 2.39578 TIMING: 2178800 CPU: 6874.13, 0.00318176/step Wall: 6874.13, 0.00318176/step, 2.49344 hours remaining, 238.046875 MB of memory in use. ENERGY: 2178800 4042.9461 20565.7515 14526.4594 241.3166 -203834.3208 2809.3447 0.0000 0.0000 52248.8557 -109399.6468 300.2749 -161648.5025 -109046.6895 299.4545 7.9919 32.4700 761882.8856 18.3230 18.4292 PRESSURE: 2179000 162.719 -90.9816 -5.08302 -90.98 -151.513 216.492 -5.08303 216.492 91.9824 GPRESSURE: 2179000 147.761 -26.4963 -47.6469 -41.4791 -86.5775 223.682 35.4661 134.269 124.68 PRESSAVG: 2179000 22.3489 -24.3004 11.7099 -24.3004 -41.6893 -14.255 11.7099 -14.2551 -9.52978 GPRESSAVG: 2179000 21.8013 -22.9975 10.4758 -23.4437 -42.6934 -13.8658 12.3882 -15.7835 -7.82689 TIMING: 2179000 CPU: 6874.77, 0.00317663/step Wall: 6874.77, 0.00317663/step, 2.48925 hours remaining, 238.046875 MB of memory in use. ENERGY: 2179000 4065.5073 20646.8536 14508.4912 232.9817 -203147.3034 2419.4668 0.0000 0.0000 52109.9197 -109164.0831 299.4764 -161274.0028 -108815.6599 299.6864 34.3960 61.9543 761912.2022 -9.6234 -9.5730 PRESSURE: 2179200 21.1437 7.94837 14.1204 7.94764 171.355 61.613 14.1208 61.6128 -293.436 GPRESSURE: 2179200 130.914 5.29262 -21.2358 -55.91 111.159 123.806 -31.8903 5.52393 -247.356 PRESSAVG: 2179200 57.189 -7.2445 28.5077 -7.24454 -59.1038 -3.53275 28.5077 -3.53278 -3.37408 GPRESSAVG: 2179200 58.2084 -7.14341 28.0594 -5.9569 -60.2506 -3.87146 30.6002 -3.28507 -3.39739 TIMING: 2179200 CPU: 6875.41, 0.00320088/step Wall: 6875.41, 0.00320088/step, 2.50807 hours remaining, 238.046875 MB of memory in use. ENERGY: 2179200 3946.1198 20616.3842 14465.8495 236.9270 -203131.4005 2258.6215 0.0000 0.0000 52177.3544 -109430.1442 299.8640 -161607.4986 -109071.7015 299.9234 -33.6459 -1.7609 761987.9621 -1.7630 -1.8132 PRESSURE: 2179400 201.058 -114.356 -102.174 -114.356 -31.1785 -291.264 -102.174 -291.265 182.928 GPRESSURE: 2179400 306.02 -127.748 53.1221 -0.579011 -19.4939 -284.737 -214.241 -203.939 158.467 PRESSAVG: 2179400 8.87262 9.81464 -13.7688 9.81462 8.02073 -29.3763 -13.7688 -29.3763 -10.8291 GPRESSAVG: 2179400 10.7536 10.6059 -12.4139 8.82487 8.46101 -30.6522 -14.8585 -27.0082 -12.3155 TIMING: 2179400 CPU: 6876.05, 0.0032142/step Wall: 6876.05, 0.0032142/step, 2.51833 hours remaining, 238.046875 MB of memory in use. ENERGY: 2179400 3963.4133 20790.6317 14518.9393 240.2869 -203484.8680 2515.1405 0.0000 0.0000 52058.3373 -109398.1191 299.1800 -161456.4564 -109042.6266 299.7421 117.6025 148.3310 761500.2104 2.0214 2.2997 PRESSURE: 2179600 -78.3794 -236.933 200.108 -236.933 -5.35418 191.452 200.108 191.452 362.947 GPRESSURE: 2179600 -96.4982 -149.421 213.674 -171.967 111.175 43.5556 202.687 148.461 351.871 PRESSAVG: 2179600 61.814 27.7972 13.2262 27.7972 -65.3014 -40.8246 13.2262 -40.8246 -7.61101 GPRESSAVG: 2179600 60.7856 27.1704 13.7997 27.623 -65.6993 -37.9579 14.5772 -43.0443 -6.16245 TIMING: 2179600 CPU: 6876.69, 0.00320555/step Wall: 6876.69, 0.00320555/step, 2.51137 hours remaining, 238.046875 MB of memory in use. ENERGY: 2179600 3869.2733 20589.0728 14486.8087 243.5647 -203444.7163 2546.4160 0.0000 0.0000 52350.8681 -109358.7126 300.8612 -161709.5807 -108991.1779 299.7502 93.0710 122.1825 760885.7475 -3.6995 -3.6920 PRESSURE: 2179800 196.924 191.497 -26.1527 191.498 -416.398 117.759 -26.1518 117.759 -419.604 GPRESSURE: 2179800 155.079 136.813 14.1195 78.9424 -440.39 73.8298 -168.482 77.1883 -283.976 PRESSAVG: 2179800 13.4292 32.5363 -26.2699 32.5363 -34.8902 38.3062 -26.27 38.3063 20.2317 GPRESSAVG: 2179800 13.2771 31.744 -26.3146 34.7158 -34.7365 37.4784 -27.7366 38.371 19.7478 TIMING: 2179800 CPU: 6877.34, 0.00324896/step Wall: 6877.34, 0.00324896/step, 2.5452 hours remaining, 238.046875 MB of memory in use. ENERGY: 2179800 3976.2797 20757.4161 14511.8782 254.1549 -202932.6963 2032.0197 0.0000 0.0000 52123.9905 -109276.9573 299.5573 -161400.9478 -108919.8175 300.0142 -213.0259 -189.7624 762352.5627 -0.4098 -0.5705 PRESSURE: 2180000 180.019 -14.3291 -146.388 -14.3293 216.681 -202.522 -146.388 -202.523 142.55 GPRESSURE: 2180000 116.775 43.7855 -202.549 34.8661 274.09 -185.09 -111.149 -179.324 209.356 PRESSAVG: 2180000 53.2382 8.55737 -33.4927 8.55749 -11.2912 50.1693 -33.4927 50.1694 18.3382 GPRESSAVG: 2180000 50.5462 9.51267 -34.0541 6.44245 -9.77444 51.39 -34.0662 50.8414 19.0225 TIMING: 2180000 CPU: 6877.99, 0.00325291/step Wall: 6877.99, 0.00325291/step, 2.54812 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2180000 3980.6693 20434.6500 14544.3705 275.2136 -203148.1413 2281.5254 0.0000 0.0000 52076.0338 -109555.6787 299.2817 -161631.7125 -109186.5614 299.5085 179.7500 200.0737 760222.6535 20.0951 19.9314 PRESSURE: 2180200 325.487 83.7147 134.796 83.7149 170.428 -48.7242 134.795 -48.7233 136.852 GPRESSURE: 2180200 331.625 53.8944 234.169 -9.2374 244.873 -44.7102 107.489 35.9845 151.073 PRESSAVG: 2180200 60.6874 -16.1277 15.2976 -16.1278 -49.2083 -10.8486 15.2976 -10.8485 -12.0684 GPRESSAVG: 2180200 61.5297 -18.7865 14.441 -14.819 -49.9184 -12.4899 16.247 -11.3868 -12.1977 TIMING: 2180200 CPU: 6878.64, 0.00324631/step Wall: 6878.64, 0.00324631/step, 2.54276 hours remaining, 238.046875 MB of memory in use. ENERGY: 2180200 3933.1026 20526.0453 14558.9625 246.1467 -203377.3690 2604.4559 0.0000 0.0000 52113.3924 -109395.2635 299.4964 -161508.6559 -109035.8232 299.6784 210.9224 242.5238 760566.9954 -0.1964 -0.1955 LDB: ============= START OF LOAD BALANCING ============== 6891.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6891.04 LDB: =============== DONE WITH MIGRATION ================ 6891.05 LDB: ============= START OF LOAD BALANCING ============== 6891.36 LDB: Largest compute 7034 load 0.035581 is 18.2% of average load 0.195987 LDB: Average compute 0.004416 is 2.3% of average load 0.195987 LDB: TIME 6891.37 LOAD: AVG 0.195987 MAX 0.215394 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 6891.37 LOAD: AVG 0.195987 MAX 0.215394 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 6891.37 LOAD: AVG 0.195987 MAX 0.215394 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 6891.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6891.37 PRESSURE: 2180400 -96.2649 -82.4828 53.5889 -82.4825 -455.597 -8.63009 53.5891 -8.63054 -509.446 GPRESSURE: 2180400 -134.4 -6.94997 46.5448 1.79958 -422.571 -22.3081 54.0567 27.3837 -394.233 PRESSAVG: 2180400 34.6799 -11.9784 -25.9068 -11.9783 -39.313 -5.40034 -25.9069 -5.40036 -3.10205 GPRESSAVG: 2180400 35.2563 -10.4067 -25.4004 -14.1034 -38.8746 -5.93451 -24.1121 -5.75385 -3.76 TIMING: 2180400 CPU: 6879.29, 0.0032549/step Wall: 6879.29, 0.0032549/step, 2.54931 hours remaining, 237.128906 MB of memory in use. ENERGY: 2180400 3954.8450 20575.4295 14497.6036 244.5706 -203269.5666 2535.1539 0.0000 0.0000 52106.8099 -109355.1542 299.4586 -161461.9641 -108992.2489 299.6456 -353.7693 -317.0680 761396.8939 -2.5784 -2.4595 PRESSURE: 2180600 -269.906 140.056 44.3964 140.057 -98.0944 183.972 44.3949 183.972 260.409 GPRESSURE: 2180600 -210.201 90.7994 56.4139 77.6486 -98.9689 140.419 -11.5909 294.572 272.464 PRESSAVG: 2180600 -17.1829 -34.0425 -8.52478 -34.0425 -20.2487 8.64597 -8.52477 8.64598 1.68199 GPRESSAVG: 2180600 -16.767 -35.2088 -9.50941 -31.0564 -21.5032 9.70123 -11.4288 7.20347 1.91171 TIMING: 2180600 CPU: 6879.93, 0.00318972/step Wall: 6879.93, 0.00318972/step, 2.49808 hours remaining, 237.332031 MB of memory in use. ENERGY: 2180600 4007.5524 20427.5369 14499.2445 242.6939 -203169.0726 2635.0918 0.0000 0.0000 51997.4518 -109359.5013 298.8301 -161356.9531 -108992.8276 299.3884 -35.8638 -12.2356 762387.4839 -11.9165 -12.1195 PRESSURE: 2180800 349.355 34.79 -69.9105 34.7901 -44.9435 -54.3127 -69.9113 -54.3122 240.404 GPRESSURE: 2180800 300.268 -89.5129 -138.078 89.5263 74.5246 -97.1019 70.6415 63.7362 261.511 PRESSAVG: 2180800 -16.2575 -3.5254 -23.5076 -3.52542 11.5034 23.2601 -23.5075 23.2601 10.6917 GPRESSAVG: 2180800 -17.0948 -3.64585 -20.7303 -5.83314 12.2292 21.4918 -23.0889 24.7687 10.5197 TIMING: 2180800 CPU: 6880.57, 0.00318326/step Wall: 6880.57, 0.00318326/step, 2.49285 hours remaining, 237.332031 MB of memory in use. ENERGY: 2180800 3951.9119 20441.8604 14497.2286 234.4907 -203309.0217 2740.2901 0.0000 0.0000 52154.7593 -109288.4808 299.7341 -161443.2401 -108923.1627 299.7491 181.6049 212.1013 761256.2582 1.9792 1.8847 PRESSURE: 2181000 18.1555 -26.6655 -31.1025 -26.6659 31.1467 7.37251 -31.1022 7.37232 231.622 GPRESSURE: 2181000 -29.9643 -74.0037 -11.7861 -155.971 140.647 -30.726 -58.154 -154.969 244.147 PRESSAVG: 2181000 -24.3574 3.05905 17.7561 3.05911 25.7153 7.56918 17.7561 7.5692 0.0451295 GPRESSAVG: 2181000 -23.8409 5.52922 16.9354 2.65606 25.6227 9.05165 19.2113 6.03407 -0.0581779 TIMING: 2181000 CPU: 6881.21, 0.00319997/step Wall: 6881.21, 0.00319997/step, 2.50576 hours remaining, 237.332031 MB of memory in use. ENERGY: 2181000 3890.6526 20509.9607 14508.3290 267.7371 -203316.0364 2586.5016 0.0000 0.0000 51995.9492 -109556.9060 298.8214 -161552.8553 -109202.5209 299.3561 93.6413 118.2768 760194.5303 0.4677 0.5745 PRESSURE: 2181200 114.201 -40.725 233.766 -40.7239 226.123 -146.066 233.766 -146.068 27.4187 GPRESSURE: 2181200 213.877 41.9024 211.81 -2.77093 249.081 -278.951 115.59 -43.7184 5.65216 PRESSAVG: 2181200 15.7185 6.72855 35.4379 6.72852 -65.6094 -28.0775 35.4379 -28.0775 -5.83518 GPRESSAVG: 2181200 15.7605 6.82847 34.9975 9.85478 -65.4995 -28.1995 33.7103 -25.8862 -6.70735 TIMING: 2181200 CPU: 6881.85, 0.00320947/step Wall: 6881.85, 0.00320947/step, 2.51302 hours remaining, 237.332031 MB of memory in use. ENERGY: 2181200 3966.7910 20500.1258 14429.1534 252.5179 -203375.8567 2710.8719 0.0000 0.0000 51954.6535 -109561.7433 298.5841 -161516.3968 -109217.3396 299.3598 122.5808 156.2035 759253.2290 -18.5754 -18.8155 PRESSURE: 2181400 -141.541 -237.281 -123.703 -237.281 106.846 -35.7179 -123.704 -35.7176 51.3711 GPRESSURE: 2181400 -136.347 -240.85 -100.069 -120.276 82.6809 -91.3517 -57.9413 53.6588 149.652 PRESSAVG: 2181400 -11.4184 -40.8031 -16.6346 -40.8031 3.14595 -44.5382 -16.6346 -44.5383 24.9257 GPRESSAVG: 2181400 -13.2248 -43.4107 -14.3545 -42.5247 3.27581 -44.4929 -17.2451 -46.5628 26.4048 TIMING: 2181400 CPU: 6882.49, 0.00320206/step Wall: 6882.49, 0.00320206/step, 2.50704 hours remaining, 237.332031 MB of memory in use. ENERGY: 2181400 3960.1012 20521.1890 14473.6073 241.3725 -203415.3824 2442.7113 0.0000 0.0000 52012.1563 -109764.2447 298.9146 -161776.4010 -109387.9781 299.2020 5.5584 31.9953 760825.6367 5.5511 5.4853 PRESSURE: 2181600 -0.818453 192.304 -81.6286 192.303 -139.627 -203.878 -81.6281 -203.878 183.261 GPRESSURE: 2181600 -19.8416 292.066 -123.058 140.593 -6.06571 -307.437 -64.6739 -159.189 150.748 PRESSAVG: 2181600 38.9106 -5.44721 -27.4219 -5.44716 -17.136 5.59482 -27.4219 5.59485 -7.25382 GPRESSAVG: 2181600 39.9087 -4.1933 -28.8629 -4.89971 -17.0271 4.19495 -28.6202 8.71286 -8.03083 TIMING: 2181600 CPU: 6883.13, 0.00318633/step Wall: 6883.13, 0.00318633/step, 2.49454 hours remaining, 237.332031 MB of memory in use. ENERGY: 2181600 3993.1145 20326.3911 14447.3424 250.1442 -203463.3210 2495.4826 0.0000 0.0000 52295.1599 -109655.6863 300.5410 -161950.8462 -109287.5838 299.4024 14.2719 41.6135 759934.1252 4.8402 4.9503 PRESSURE: 2181800 159.033 -55.2458 -101.683 -55.2454 7.46797 -22.4844 -101.682 -22.4844 368.383 GPRESSURE: 2181800 180.148 -48.3687 -160.424 -54.6177 7.15427 -28.5991 -104.368 -33.553 431.684 PRESSAVG: 2181800 40.701 9.54407 -88.8296 9.54404 -62.6921 7.91089 -88.8296 7.91097 -7.47717 GPRESSAVG: 2181800 40.7599 9.52034 -88.1679 8.71219 -62.6635 8.52532 -87.8571 5.66687 -7.83237 TIMING: 2181800 CPU: 6883.77, 0.00323413/step Wall: 6883.77, 0.00323413/step, 2.53178 hours remaining, 237.332031 MB of memory in use. ENERGY: 2181800 4024.4747 20556.5168 14470.3275 272.9223 -203324.2315 2639.0284 0.0000 0.0000 51818.6114 -109542.3503 297.8023 -161360.9617 -109189.6042 298.9322 178.2945 206.3288 759451.8964 -9.8228 -9.9120 PRESSURE: 2182000 76.4655 147.181 14.0986 147.181 -359.688 213.295 14.0983 213.296 -191.41 GPRESSURE: 2182000 144.341 165.111 -23.4603 122.542 -328.879 188.414 95.0878 182.566 -202.316 PRESSAVG: 2182000 60.5662 19.5623 -13.8702 19.5623 -66.3948 44.9471 -13.8701 44.9472 -20.7709 GPRESSAVG: 2182000 61.5377 19.7487 -14.3512 19.2804 -67.3427 44.485 -11.8735 45.8642 -20.7865 TIMING: 2182000 CPU: 6884.42, 0.00324015/step Wall: 6884.42, 0.00324015/step, 2.53632 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2182000 3961.3689 20335.3328 14497.2773 241.6971 -202956.8670 2146.8373 0.0000 0.0000 51880.0505 -109894.3031 298.1554 -161774.3536 -109538.8251 298.9820 -158.2110 -128.9512 761325.9678 -8.8665 -8.8638 PRESSURE: 2182200 -244.974 33.3517 -189.911 33.3518 -298.47 214.41 -189.911 214.41 -84.1682 GPRESSURE: 2182200 -152.327 2.7352 -161.039 -45.3598 -291.673 188.342 -249.93 249.234 -99.528 PRESSAVG: 2182200 114.091 25.8276 -11.228 25.8275 -67.534 18.3626 -11.228 18.3625 -4.61737 GPRESSAVG: 2182200 114.932 24.9758 -9.2836 25.5464 -67.8128 18.6592 -13.5839 17.7413 -5.38494 TIMING: 2182200 CPU: 6885.06, 0.0032188/step Wall: 6885.06, 0.0032188/step, 2.51943 hours remaining, 237.332031 MB of memory in use. ENERGY: 2182200 3901.6846 20527.8466 14554.8770 254.7430 -203320.5828 2492.9089 0.0000 0.0000 51676.1590 -109912.3637 296.9836 -161588.5227 -109550.6577 298.6047 -209.2039 -181.1759 759979.4572 13.9797 13.9113 PRESSURE: 2182400 399.297 67.0348 -43.4884 67.0351 215.02 -12.4567 -43.4883 -12.4559 -42.1005 GPRESSURE: 2182400 425.985 -2.47166 26.8425 8.16403 154.623 -42.4024 -96.2544 -118.706 70.9983 PRESSAVG: 2182400 13.924 -25.0329 -31.9523 -25.0329 -12.0752 49.4098 -31.9523 49.4098 -3.81511 GPRESSAVG: 2182400 13.3182 -23.3404 -32.9151 -24.7102 -12.7871 50.6786 -31.3003 48.8744 -2.67568 TIMING: 2182400 CPU: 6885.71, 0.00322229/step Wall: 6885.71, 0.00322229/step, 2.52198 hours remaining, 237.332031 MB of memory in use. ENERGY: 2182400 3952.7248 20375.4081 14436.7247 250.5571 -203711.7180 2738.8061 0.0000 0.0000 52108.0313 -109849.4659 299.4656 -161957.4972 -109478.8844 298.0867 190.7387 217.2021 761110.3181 -0.6555 -0.7148 PRESSURE: 2182600 -18.7206 -127.174 -86.599 -127.174 39.6905 52.4376 -86.5985 52.437 -107.29 GPRESSURE: 2182600 -30.328 -39.2782 3.05265 -192.695 93.8004 -34.3 -21.9344 215.504 -51.9415 PRESSAVG: 2182600 15.5949 -24.4663 19.7759 -24.4663 -43.3027 4.74185 19.7759 4.74178 12.8462 GPRESSAVG: 2182600 14.9098 -25.0921 20.8433 -24.6968 -42.8756 3.15817 18.4955 3.7573 12.494 TIMING: 2182600 CPU: 6886.36, 0.00323037/step Wall: 6886.36, 0.00323037/step, 2.52812 hours remaining, 237.332031 MB of memory in use. ENERGY: 2182600 3978.0437 20412.4654 14452.6044 238.5186 -203223.3352 2290.7020 0.0000 0.0000 52021.0206 -109829.9806 298.9655 -161851.0012 -109467.1969 298.7141 -28.7734 3.8436 760613.9256 -4.9539 -5.1573 PRESSURE: 2182800 87.7529 -201.146 -184.854 -201.146 182.6 293.625 -184.853 293.625 -128.971 GPRESSURE: 2182800 112.41 -190.171 -175.048 -265.405 234.405 341.568 -279.553 215.23 -145.471 PRESSAVG: 2182800 -10.279 5.39845 2.52526 5.39847 37.059 63.1348 2.52531 63.1349 -4.62101 GPRESSAVG: 2182800 -9.62134 5.68285 1.09018 4.61699 37.7005 64.1818 5.15561 64.7153 -5.32731 TIMING: 2182800 CPU: 6887, 0.00323096/step Wall: 6887, 0.00323096/step, 2.52841 hours remaining, 237.332031 MB of memory in use. ENERGY: 2182800 4032.7997 20465.9654 14490.0104 236.9833 -203234.1388 2603.5535 0.0000 0.0000 51777.0792 -109627.7473 297.5636 -161404.8265 -109275.9275 298.3638 47.1272 67.1149 762166.4641 7.3863 7.5839 PRESSURE: 2183000 107.755 186.956 -196.927 186.956 106.509 145.86 -196.928 145.86 71.0671 GPRESSURE: 2183000 142.166 105.077 -194.23 236.811 38.7272 152.53 -238.455 -5.1154 195.275 PRESSAVG: 2183000 28.2228 -33.792 -24.437 -33.792 6.54802 45.4775 -24.4369 45.4775 12.9414 GPRESSAVG: 2183000 26.9053 -35.7574 -25.0276 -32.2392 7.42413 46.0744 -25.0996 42.3194 13.6279 TIMING: 2183000 CPU: 6887.65, 0.00324562/step Wall: 6887.65, 0.00324562/step, 2.5397 hours remaining, 237.332031 MB of memory in use. ENERGY: 2183000 3949.7027 20594.9343 14467.5853 252.8661 -203297.0984 2435.2542 0.0000 0.0000 51880.2822 -109716.4736 298.1567 -161596.7558 -109366.1308 298.6545 95.1104 125.3894 761674.4695 15.9041 15.9858 PRESSURE: 2183200 66.1408 -1.78365 -19.405 -1.78465 -362.76 49.7268 -19.4052 49.7267 -144.94 GPRESSURE: 2183200 8.69762 -4.92948 13.9382 -15.0403 -217.535 -69.8453 43.524 116.061 -126.963 PRESSAVG: 2183200 80.4438 -21.0683 20.679 -21.0683 -102.9 17.4739 20.679 17.4739 10.2896 GPRESSAVG: 2183200 81.6755 -19.8371 21.4151 -22.5033 -103.661 16.8657 22.6417 20.3302 9.91902 TIMING: 2183200 CPU: 6888.3, 0.00323456/step Wall: 6888.3, 0.00323456/step, 2.53086 hours remaining, 237.332031 MB of memory in use. ENERGY: 2183200 3959.2223 20393.9901 14546.1293 249.7670 -203716.6498 2694.3800 0.0000 0.0000 51928.9975 -109944.1637 298.4367 -161873.1612 -109575.1087 298.7112 -147.1864 -111.9335 761272.9116 -4.0557 -4.0222 PRESSURE: 2183400 42.2079 187.038 110.969 187.038 425.532 11.625 110.968 11.6243 211.721 GPRESSURE: 2183400 170.774 151.394 114.478 151.402 374.255 34.14 -2.13814 40.5366 205.179 PRESSAVG: 2183400 76.2337 -35.0378 36.89 -35.0378 -27.6338 5.73102 36.8899 5.73106 10.9928 GPRESSAVG: 2183400 76.7534 -35.2244 36.9842 -33.4159 -28.7211 5.15841 36.0479 4.96631 11.3485 TIMING: 2183400 CPU: 6888.94, 0.00320845/step Wall: 6888.94, 0.00320845/step, 2.51025 hours remaining, 237.332031 MB of memory in use. ENERGY: 2183400 3947.3249 20563.4397 14446.5162 231.0879 -203935.4863 2665.4607 0.0000 0.0000 52105.1887 -109976.4683 299.4492 -162081.6570 -109610.5637 298.3727 226.4869 250.0694 760290.6214 19.8643 19.7936 PRESSURE: 2183600 297.826 -114.34 -116.858 -114.339 -235.292 -199.755 -116.858 -199.755 -197.208 GPRESSURE: 2183600 326.068 -97.6544 -7.80699 -137.568 -185.18 -145.27 -91.6012 -126.798 -198.82 PRESSAVG: 2183600 105.386 -10.5583 42.4 -10.5582 -80.1912 36.6049 42.3999 36.6049 -6.17798 GPRESSAVG: 2183600 106.393 -8.93519 43.3757 -12.7612 -79.9774 36.9501 41.9128 39.1635 -7.58508 TIMING: 2183600 CPU: 6889.58, 0.00321493/step Wall: 6889.58, 0.00321493/step, 2.51515 hours remaining, 237.332031 MB of memory in use. ENERGY: 2183600 3947.8927 20434.1079 14460.9865 256.4827 -203620.2723 2624.0125 0.0000 0.0000 52161.9622 -109734.8279 299.7755 -161896.7901 -109377.2108 299.1910 -44.8913 -19.3106 760436.2312 6.3390 6.2767 PRESSURE: 2183800 -203.099 -89.7652 36.2728 -89.7654 -501.709 -43.5218 36.2726 -43.5223 -380.08 GPRESSURE: 2183800 -243.297 -147.477 11.9745 -190.754 -451.305 -25.368 78.2968 -30.4034 -296.848 PRESSAVG: 2183800 29.8564 -63.1456 49.1237 -63.1456 -31.6689 16.1856 49.1236 16.1856 -4.97804 GPRESSAVG: 2183800 29.3219 -64.4238 48.0822 -61.6501 -30.6335 14.8449 49.4205 12.9795 -4.87423 TIMING: 2183800 CPU: 6890.22, 0.00320808/step Wall: 6890.22, 0.00320808/step, 2.50961 hours remaining, 237.332031 MB of memory in use. ENERGY: 2183800 3984.1999 20439.2407 14429.4607 239.6712 -203124.8875 2329.5607 0.0000 0.0000 51829.2789 -109873.4754 297.8636 -161702.7543 -109515.6857 299.1983 -361.6296 -330.4832 764180.3581 -2.2635 -2.0619 PRESSURE: 2184000 118.406 47.8675 13.094 47.8681 -209.701 278.487 13.0942 278.486 -235.146 GPRESSURE: 2184000 87.6113 53.4974 -4.46324 83.6373 -68.1356 280.713 46.5967 254.01 -237.562 PRESSAVG: 2184000 75.1755 -17.3971 2.6333 -17.3972 -93.4852 49.2573 2.63333 49.2572 9.3951 GPRESSAVG: 2184000 74.1415 -16.3194 2.64236 -19.6855 -94.2289 50.7422 2.3138 51.2921 11.214 TIMING: 2184000 CPU: 6890.87, 0.00323312/step Wall: 6890.87, 0.00323312/step, 2.52901 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2184000 4056.0409 20507.8510 14422.0309 230.3879 -203560.1655 2491.1404 0.0000 0.0000 52253.8518 -109598.8626 300.3036 -161852.7144 -109228.4364 298.8129 -108.8135 -72.6953 760786.7798 -2.9715 -2.9578 PRESSURE: 2184200 -276.98 -30.2296 -281.957 -30.2303 -507.606 -72.4885 -281.957 -72.4899 61.6991 GPRESSURE: 2184200 -211.617 -17.5029 -257.94 98.2128 -478.244 -42.8978 -112.615 -127.59 39.0256 PRESSAVG: 2184200 15.5621 -42.0097 -22.0922 -42.0097 -23.8265 12.4187 -22.0922 12.4188 -5.10895 GPRESSAVG: 2184200 15.9392 -42.9732 -22.3604 -39.1246 -23.3588 11.955 -22.6384 12.18 -6.14581 TIMING: 2184200 CPU: 6891.52, 0.00323873/step Wall: 6891.52, 0.00323873/step, 2.53323 hours remaining, 237.332031 MB of memory in use. ENERGY: 2184200 4003.0703 20453.3287 14455.4723 256.1104 -203281.4903 2248.1954 0.0000 0.0000 52267.9671 -109597.3461 300.3847 -161865.3132 -109230.9037 299.5745 -240.9621 -216.9449 759757.5145 -4.4578 -4.5218 LDB: ============= START OF LOAD BALANCING ============== 6903.92 LDB: ============== END OF LOAD BALANCING =============== 6903.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6903.92 LDB: ============= START OF LOAD BALANCING ============== 6904.25 LDB: Largest compute 7025 load 0.036809 is 18.8% of average load 0.195910 LDB: Average compute 0.004422 is 2.3% of average load 0.195910 LDB: TIME 6904.25 LOAD: AVG 0.19591 MAX 0.214168 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 6904.25 LOAD: AVG 0.19591 MAX 0.214168 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 6904.25 LOAD: AVG 0.19591 MAX 0.214168 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 6904.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6904.26 PRESSURE: 2184400 -0.750985 -178.736 49.5496 -178.736 -69.2726 45.3806 49.5489 45.3804 -276.215 GPRESSURE: 2184400 86.1515 -166.751 21.48 -211.24 -7.48293 120.156 58.6816 45.595 -341.338 PRESSAVG: 2184400 44.9847 0.592089 -6.27694 0.592092 -37.1277 -19.9928 -6.2769 -19.9927 8.2691 GPRESSAVG: 2184400 44.1484 0.838121 -5.71794 -1.23724 -36.8486 -20.7533 -4.94624 -20.1254 8.16552 TIMING: 2184400 CPU: 6892.18, 0.00328611/step Wall: 6892.18, 0.00328611/step, 2.5701 hours remaining, 237.902344 MB of memory in use. ENERGY: 2184400 3934.1721 20507.7018 14490.1983 270.0697 -203476.7912 2412.0798 0.0000 0.0000 52153.4087 -109709.1608 299.7264 -161862.5695 -109346.7174 299.5246 -115.4130 -87.5566 759860.1959 5.3753 5.1551 PRESSURE: 2184600 -25.5554 103.038 -134.069 103.04 -47.3534 -32.1093 -134.069 -32.1105 214.935 GPRESSURE: 2184600 79.6028 229.609 -72.1082 45.3258 -4.58879 56.1792 -88.3114 2.04161 165.756 PRESSAVG: 2184600 2.28688 -48.5291 14.0604 -48.529 29.4123 -29.7202 14.0605 -29.7203 3.79369 GPRESSAVG: 2184600 2.51657 -48.7028 12.3108 -47.7795 29.009 -29.0232 14.8093 -31.2443 3.88351 TIMING: 2184600 CPU: 6892.82, 0.00322582/step Wall: 6892.82, 0.00322582/step, 2.52277 hours remaining, 237.902344 MB of memory in use. ENERGY: 2184600 3994.1925 20493.2372 14537.3950 251.1450 -203609.8714 2429.4716 0.0000 0.0000 52288.6001 -109615.8300 300.5033 -161904.4301 -109253.4876 299.6915 47.3421 80.2568 758918.3267 11.8310 11.8030 PRESSURE: 2184800 20.0206 -283.049 266.53 -283.049 -361.319 -177.899 266.529 -177.899 -113.95 GPRESSURE: 2184800 44.5982 -281.09 335.794 -220.648 -337.999 -149.953 89.1978 -217.7 -68.3936 PRESSAVG: 2184800 91.4489 -34.2437 -8.98556 -34.2437 -77.1096 -5.37589 -8.98557 -5.37584 11.4845 GPRESSAVG: 2184800 92.6068 -34.8026 -6.88457 -34.6194 -77.4086 -5.83209 -11.4361 -3.47873 10.557 TIMING: 2184800 CPU: 6893.47, 0.00323604/step Wall: 6893.47, 0.00323604/step, 2.53058 hours remaining, 237.902344 MB of memory in use. ENERGY: 2184800 4023.1746 20546.7750 14445.2308 254.6512 -203936.0853 2677.3725 0.0000 0.0000 52108.1297 -109880.7514 299.4661 -161988.8812 -109522.4965 299.6030 -151.7496 -120.5981 759326.2855 8.6079 8.5851 PRESSURE: 2185000 -82.2128 149.981 19.1943 149.981 34.8501 316.335 19.1941 316.335 -35.5982 GPRESSURE: 2185000 43.0599 169.366 101.453 195.556 41.051 248.174 24.0564 333.087 -88.7987 PRESSAVG: 2185000 78.881 -34.8838 41.8702 -34.8838 -29.2519 35.2697 41.8701 35.2698 14.6376 GPRESSAVG: 2185000 78.024 -34.1632 42.2755 -34.8131 -28.7564 35.145 42.9844 34.8156 15.1134 TIMING: 2185000 CPU: 6894.12, 0.00325657/step Wall: 6894.12, 0.00325658/step, 2.54646 hours remaining, 237.902344 MB of memory in use. ENERGY: 2185000 3985.4783 20584.9954 14503.3514 242.9321 -203987.7251 2680.6797 0.0000 0.0000 52107.2881 -109883.0001 299.4613 -161990.2882 -109526.0228 299.1949 -27.6536 -1.5626 759785.8899 21.4223 21.4603 PRESSURE: 2185200 -69.3155 73.6221 46.8065 73.6217 -9.17688 68.3287 46.8055 68.3296 -218.895 GPRESSURE: 2185200 -14.5868 104.461 45.5512 -49.9232 -31.1173 -9.29155 71.1085 0.689009 -169.173 PRESSAVG: 2185200 93.0418 -40.2227 -14.5765 -40.2226 -94.3959 -11.1077 -14.5765 -11.1078 2.35767 GPRESSAVG: 2185200 93.6215 -42.1635 -16.8317 -38.2634 -94.9029 -10.4057 -13.8266 -11.5111 2.3819 TIMING: 2185200 CPU: 6894.77, 0.00325716/step Wall: 6894.77, 0.00325716/step, 2.54673 hours remaining, 237.902344 MB of memory in use. ENERGY: 2185200 3987.6364 20600.1273 14477.2655 243.6603 -203890.2954 2871.1145 0.0000 0.0000 51637.1956 -110073.2960 296.7597 -161710.4915 -109729.4022 299.2716 -99.1292 -71.6256 758011.8676 0.3345 0.3668 PRESSURE: 2185400 -267.819 -28.7933 -48.8802 -28.7928 -194.335 -29.6912 -48.8806 -29.6915 9.88958 GPRESSURE: 2185400 -208.488 33.0628 -1.66947 -35.2817 -129.674 -59.6173 -74.1588 -88.1061 -26.6584 PRESSAVG: 2185400 -5.15437 -64.5292 -37.8589 -64.5292 -17.2915 -32.1809 -37.8589 -32.1809 -10.7457 GPRESSAVG: 2185400 -6.01459 -61.5644 -36.8779 -65.5769 -16.6095 -33.2369 -38.8219 -31.6788 -10.2836 TIMING: 2185400 CPU: 6895.42, 0.00322639/step Wall: 6895.42, 0.00322639/step, 2.5225 hours remaining, 237.902344 MB of memory in use. ENERGY: 2185400 3980.9539 20364.5903 14509.1658 242.8103 -203615.6294 2390.7585 0.0000 0.0000 52000.7868 -110126.5638 298.8492 -162127.3506 -109754.8903 298.3619 -150.7547 -121.6067 761118.3368 -11.0639 -10.9692 PRESSURE: 2185600 -36.8616 -288.205 128.116 -288.206 -151.73 148.209 128.116 148.21 -220.988 GPRESSURE: 2185600 46.2084 -253.386 104.42 -273.875 -134.428 150.01 45.3985 248.238 -238.421 PRESSAVG: 2185600 77.6337 -36.7723 -0.619778 -36.7724 -30.9619 -28.1583 -0.619766 -28.1583 -3.62893 GPRESSAVG: 2185600 78.2725 -36.4225 0.0768519 -36.7027 -30.4842 -28.2024 -0.615461 -28.6314 -4.15493 TIMING: 2185600 CPU: 6896.05, 0.00318254/step Wall: 6896.05, 0.00318254/step, 2.48804 hours remaining, 237.902344 MB of memory in use. ENERGY: 2185600 3985.3316 20459.0098 14467.6705 247.6966 -203312.0498 2238.3601 0.0000 0.0000 52013.0663 -109900.9151 298.9198 -161913.9814 -109541.3438 298.0625 -136.5265 -108.8803 759984.4017 14.3476 14.5445 PRESSURE: 2185800 127.947 59.6368 -24.7579 59.6358 203.657 72.9441 -24.7586 72.9428 224.253 GPRESSURE: 2185800 248.447 -41.1846 -14.7465 56.1387 196.694 155.109 -17.1639 121.291 198.415 PRESSAVG: 2185800 17.3808 -67.1997 -10.0027 -67.1997 -46.6499 -30.0658 -10.0027 -30.0659 18.5258 GPRESSAVG: 2185800 16.7595 -66.4949 -10.2293 -67.8429 -46.7598 -29.4431 -12.7277 -27.9443 19.3671 TIMING: 2185800 CPU: 6896.69, 0.00317108/step Wall: 6896.69, 0.00317108/step, 2.4789 hours remaining, 237.902344 MB of memory in use. ENERGY: 2185800 3929.6455 20457.7811 14476.4076 233.8212 -203208.5259 2410.4743 0.0000 0.0000 51860.3825 -109840.0137 298.0423 -161700.3962 -109488.7936 298.9614 185.2852 214.5186 760546.2898 -3.5811 -3.5444 PRESSURE: 2186000 51.3375 -68.8606 -62.1424 -68.8606 -162.899 -9.39283 -62.1435 -9.39263 327.253 GPRESSURE: 2186000 154.948 -77.6559 -164.91 39.4344 -102.11 -7.02346 -10.8399 -84.1322 243.107 PRESSAVG: 2186000 9.62588 -46.9664 -13.2308 -46.9665 -15.9752 15.1711 -13.2307 15.171 -3.87147 GPRESSAVG: 2186000 9.59373 -48.8958 -14.7975 -46.366 -15.2424 16.5164 -11.0881 12.8664 -3.87198 TIMING: 2186000 CPU: 6897.33, 0.00319863/step Wall: 6897.33, 0.00319863/step, 2.50027 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2186000 3903.1428 20460.6590 14517.8824 234.3057 -203563.3793 2605.9559 0.0000 0.0000 52049.4354 -109791.9981 299.1288 -161841.4335 -109427.0479 298.9537 71.8972 98.6481 760680.5317 -3.4069 -3.1736 PRESSURE: 2186200 28.1084 -86.1122 -171.158 -86.112 -45.821 136.94 -171.157 136.94 -254.855 GPRESSURE: 2186200 -0.164786 -73.7734 -242.471 -141.348 80.5997 106.077 -62.9848 171.993 -272.207 PRESSAVG: 2186200 42.5043 -28.5963 45.4932 -28.5964 -45.2797 -46.338 45.4932 -46.338 -14.2163 GPRESSAVG: 2186200 41.7019 -28.2039 47.2964 -26.9385 -46.2551 -47.2785 43.2794 -46.2344 -12.5977 TIMING: 2186200 CPU: 6897.96, 0.00317893/step Wall: 6897.96, 0.00317893/step, 2.48468 hours remaining, 237.902344 MB of memory in use. ENERGY: 2186200 3949.5649 20332.6602 14451.5269 257.5348 -203702.7329 2610.1652 0.0000 0.0000 52350.1851 -109751.0959 300.8572 -162101.2809 -109390.8113 299.0924 -90.8560 -63.9239 761414.3235 -5.6639 -5.7170 PRESSURE: 2186400 26.9266 42.3418 79.0706 42.3421 -32.8711 -125.532 79.0697 -125.532 -71.0299 GPRESSURE: 2186400 16.5221 39.4844 97.2778 63.3278 18.0783 -111.63 104.091 -139.2 -11.9989 PRESSAVG: 2186400 -33.9542 -47.6063 2.45419 -47.6064 21.3661 27.0473 2.45414 27.0473 37.4788 GPRESSAVG: 2186400 -32.0678 -46.5963 1.47309 -49.7451 20.8824 26.3361 5.02171 25.4271 36.03 TIMING: 2186400 CPU: 6898.6, 0.00318851/step Wall: 6898.6, 0.00318851/step, 2.492 hours remaining, 237.902344 MB of memory in use. ENERGY: 2186400 4051.0414 20421.4688 14458.6593 237.6963 -203872.9785 2801.3684 0.0000 0.0000 52179.9074 -109722.8370 299.8786 -161902.7444 -109359.2501 299.1038 -25.6581 7.5338 758909.9984 8.2969 8.2816 PRESSURE: 2186600 211.568 -30.373 134.766 -30.3722 -76.9336 29.6511 134.766 29.6517 108.893 GPRESSURE: 2186600 301.593 -114.556 124.813 62.7281 -25.6414 49.7723 191.268 10.3844 56.8019 PRESSAVG: 2186600 25.5803 42.4235 22.1927 42.4235 2.50253 -29.5249 22.1928 -29.5249 -1.73257 GPRESSAVG: 2186600 25.884 42.2907 21.0339 43.2336 2.83506 -29.3999 22.9776 -27.736 -1.89161 TIMING: 2186600 CPU: 6899.24, 0.00320033/step Wall: 6899.24, 0.00320033/step, 2.50106 hours remaining, 237.902344 MB of memory in use. ENERGY: 2186600 3999.8332 20514.5859 14534.1810 248.7455 -203531.8963 2468.4975 0.0000 0.0000 52177.1675 -109588.8856 299.8629 -161766.0531 -109230.9567 299.4424 81.1758 110.9179 759465.8926 8.7834 8.9425 PRESSURE: 2186800 91.5388 95.0117 182.92 95.0111 252.956 -273.428 182.92 -273.427 112.113 GPRESSURE: 2186800 203.721 88.8711 259.457 15.2621 200.775 -216.218 115.484 -127.091 134.325 PRESSAVG: 2186800 78.384 -27.6939 38.8442 -27.6939 -36.7829 44.8 38.8442 44.8 -28.7621 GPRESSAVG: 2186800 77.5132 -26.9646 40.203 -29.3186 -36.6113 44.8152 38.5176 44.4193 -28.2038 TIMING: 2186800 CPU: 6899.88, 0.00318041/step Wall: 6899.88, 0.00318041/step, 2.48531 hours remaining, 237.902344 MB of memory in use. ENERGY: 2186800 3937.9233 20580.3881 14513.0029 239.3196 -203092.2751 2365.8449 0.0000 0.0000 52023.2263 -109432.5699 298.9782 -161455.7962 -109086.1410 299.3325 152.2026 179.6073 760914.5078 4.2797 4.2327 PRESSURE: 2187000 76.5998 35.6313 128.984 35.6307 14.4113 187.633 128.984 187.634 181.052 GPRESSURE: 2187000 165.357 64.6101 90.9427 52.6368 34.8889 282.285 170.76 286.709 167.499 PRESSAVG: 2187000 42.6917 -27.5187 36.4118 -27.5187 -34.1939 40.4065 36.4118 40.4064 21.5231 GPRESSAVG: 2187000 42.1354 -27.6542 34.8655 -28.7129 -32.8307 42.6004 36.3611 39.1726 20.1918 TIMING: 2187000 CPU: 6900.51, 0.00319388/step Wall: 6900.51, 0.00319388/step, 2.49567 hours remaining, 237.902344 MB of memory in use. ENERGY: 2187000 3982.9365 20561.5357 14474.8724 244.2278 -203584.5165 2810.0234 0.0000 0.0000 51997.2158 -109513.7048 298.8287 -161510.9206 -109148.0556 299.3209 90.6878 122.5816 759626.5015 10.0069 9.8322 PRESSURE: 2187200 223.952 101.058 -200.424 101.058 106.654 75.6723 -200.424 75.6738 294.197 GPRESSURE: 2187200 290.49 77.1208 -146.578 144.815 148.114 32.2583 -23.399 121.48 263.995 PRESSAVG: 2187200 -12.6068 -24.3108 20.6564 -24.3108 17.083 -8.36784 20.6564 -8.36789 -13.1031 GPRESSAVG: 2187200 -10.8202 -26.5323 21.388 -21.0023 15.1914 -12.5805 20.4688 -5.69853 -13.006 TIMING: 2187200 CPU: 6901.16, 0.00322418/step Wall: 6901.16, 0.00322418/step, 2.51916 hours remaining, 237.902344 MB of memory in use. ENERGY: 2187200 3930.6283 20578.3121 14482.0003 259.5836 -203699.9090 2596.0107 0.0000 0.0000 52178.4613 -109674.9127 299.8703 -161853.3740 -109314.4919 299.2831 208.2676 234.1996 761794.9738 -2.8756 -2.8783 PRESSURE: 2187400 68.1722 147.666 216.602 147.666 79.5617 37.4668 216.601 37.4668 73.109 GPRESSURE: 2187400 80.9861 41.4369 234.891 196.781 128.941 73.957 107.707 27.4371 103.413 PRESSAVG: 2187400 52.6691 24.0323 29.0295 24.0323 -50.2744 20.6526 29.0294 20.6526 -1.82089 GPRESSAVG: 2187400 51.2946 26.5148 29.4079 22.8612 -49.7013 22.1006 29.459 19.1916 -0.428618 TIMING: 2187400 CPU: 6901.81, 0.00323499/step Wall: 6901.81, 0.00323499/step, 2.52742 hours remaining, 237.902344 MB of memory in use. ENERGY: 2187400 3934.4023 20522.0695 14452.9952 258.3862 -203623.8601 2741.1008 0.0000 0.0000 52131.9811 -109582.9251 299.6032 -161714.9062 -109227.5643 299.5437 73.6143 104.4465 761800.0529 0.1913 0.3882 PRESSURE: 2187600 28.5479 -107.206 116.437 -107.205 -3.01085 13.5325 116.437 13.5321 -382.152 GPRESSURE: 2187600 151.71 -58.0573 142.114 -69.755 -38.9973 -37.752 24.3003 25.8988 -370.139 PRESSAVG: 2187600 -2.41256 -29.838 6.98177 -29.8381 17.9154 31.3986 6.98181 31.3987 20.55 GPRESSAVG: 2187600 -1.55809 -31.0949 6.44579 -29.6635 18.0297 31.1712 5.95886 32.4 19.6596 TIMING: 2187600 CPU: 6902.44, 0.00319135/step Wall: 6902.44, 0.00319135/step, 2.49316 hours remaining, 237.902344 MB of memory in use. ENERGY: 2187600 4067.7466 20559.5023 14462.3256 250.2111 -203008.3321 2177.7986 0.0000 0.0000 51871.0157 -109619.7322 298.1034 -161490.7478 -109263.5859 298.7274 -118.8716 -85.8089 761433.6461 12.0176 12.0437 PRESSURE: 2187800 -165.135 -57.1639 164.709 -57.1632 -66.2009 79.2192 164.709 79.2187 167.354 GPRESSURE: 2187800 -143.943 22.9532 158.292 -29.4179 -19.0412 41.2058 156.062 94.8735 189.728 PRESSAVG: 2187800 4.23396 -1.77771 23.6229 -1.77773 6.43786 20.5907 23.623 20.5907 -7.42932 GPRESSAVG: 2187800 4.42548 -1.20463 23.2884 -2.47258 6.30889 22.25 23.9412 19.6555 -7.6162 TIMING: 2187800 CPU: 6903.09, 0.00322037/step Wall: 6903.09, 0.00322037/step, 2.51565 hours remaining, 237.902344 MB of memory in use. ENERGY: 2187800 4059.5191 20582.5153 14420.1484 233.6148 -203814.4242 2949.9778 0.0000 0.0000 52097.3228 -109471.3260 299.4040 -161568.6488 -109105.9407 299.2538 -21.3270 8.9146 762530.1207 1.0808 1.0394 PRESSURE: 2188000 -39.0874 -24.4775 33.7179 -24.4777 -41.5546 -227.254 33.7182 -227.254 -178.322 GPRESSURE: 2188000 11.2552 -26.4889 -43.2203 -51.5152 -63.3994 -215.319 17.0908 -208.887 -123.909 PRESSAVG: 2188000 18.1502 -17.6553 18.5863 -17.6553 -20.4668 38.801 18.5863 38.8009 -8.83437 GPRESSAVG: 2188000 17.2729 -18.5925 17.7115 -16.306 -20.4007 38.4933 18.525 38.3487 -7.88024 TIMING: 2188000 CPU: 6903.73, 0.00320602/step Wall: 6903.73, 0.00320602/step, 2.50426 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2188000 4051.2286 20442.5381 14328.9076 237.5078 -203124.0545 2429.9491 0.0000 0.0000 52159.4836 -109474.4397 299.7613 -161633.9233 -109105.5686 299.8628 -86.3213 -58.6843 761121.3801 -3.7170 -3.6693 PRESSURE: 2188200 405.243 -58.1338 84.8889 -58.1335 -230.554 93.7499 84.8898 93.7496 -185.204 GPRESSURE: 2188200 320.056 1.42087 23.1957 -6.81427 -167.3 137.058 186.095 53.3797 -97.8682 PRESSAVG: 2188200 57.0648 11.9084 5.74625 11.9084 -74.3354 -31.9498 5.74622 -31.9499 3.61036 GPRESSAVG: 2188200 58.0265 11.1604 7.57482 10.3817 -75.3809 -32.6276 6.2647 -31.4638 3.5147 TIMING: 2188200 CPU: 6904.38, 0.00322957/step Wall: 6904.38, 0.00322957/step, 2.52248 hours remaining, 237.902344 MB of memory in use. ENERGY: 2188200 3954.5330 20420.2982 14469.0294 235.8911 -203121.6511 2392.3197 0.0000 0.0000 51985.1442 -109664.4356 298.7593 -161649.5798 -109302.6044 298.6544 -3.5050 18.2961 761362.2786 -4.5534 -4.6132 LDB: ============= START OF LOAD BALANCING ============== 6916.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6916.78 LDB: =============== DONE WITH MIGRATION ================ 6916.78 LDB: ============= START OF LOAD BALANCING ============== 6917.11 LDB: Largest compute 7034 load 0.037996 is 19.4% of average load 0.195901 LDB: Average compute 0.004397 is 2.2% of average load 0.195901 LDB: TIME 6917.11 LOAD: AVG 0.195901 MAX 0.216728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 6917.11 LOAD: AVG 0.195901 MAX 0.216728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 6917.11 LOAD: AVG 0.195901 MAX 0.216728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 6917.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6917.12 PRESSURE: 2188400 -297.03 89.0393 6.15767 89.0388 -6.27831 205.773 6.15864 205.774 -149.933 GPRESSURE: 2188400 -132.418 57.9833 -6.23206 -30.7459 -6.82913 157.162 -15.1412 89.5025 -231.849 PRESSAVG: 2188400 36.9081 -17.4673 67.8746 -17.4673 -15.8327 -25.7772 67.8746 -25.7771 -6.29544 GPRESSAVG: 2188400 37.6417 -14.8744 68.9503 -17.2568 -14.7766 -27.2009 65.5788 -25.5743 -7.8744 TIMING: 2188400 CPU: 6905.04, 0.00330255/step Wall: 6905.04, 0.00330255/step, 2.57929 hours remaining, 239.125000 MB of memory in use. ENERGY: 2188400 3985.8270 20565.0497 14480.8487 241.1315 -203259.5038 2503.3028 0.0000 0.0000 51930.5037 -109552.8404 298.4453 -161483.3440 -109193.0189 298.9352 -151.0804 -123.6988 760515.9341 4.9266 4.9969 PRESSURE: 2188600 207.461 395.817 -120.937 395.817 -180.32 157.805 -120.936 157.804 -14.1824 GPRESSURE: 2188600 270.864 358.261 -120.618 338.138 -203.184 142.236 85.2191 229.729 19.4219 PRESSAVG: 2188600 58.6588 -29.1175 9.12193 -29.1176 -82.0939 14.5446 9.12189 14.5446 -26.459 GPRESSAVG: 2188600 57.4973 -29.4749 6.39974 -29.9331 -82.7673 15.1443 11.9623 14.1994 -24.7579 TIMING: 2188600 CPU: 6905.68, 0.00322427/step Wall: 6905.68, 0.00322427/step, 2.51798 hours remaining, 239.125000 MB of memory in use. ENERGY: 2188600 3943.3021 20443.4402 14486.7719 252.0169 -203365.4448 2682.6042 0.0000 0.0000 52125.6024 -109431.7070 299.5666 -161557.3094 -109074.8430 299.5561 4.3197 29.0341 759632.7235 -16.6314 -16.6760 PRESSURE: 2188800 190.438 -127.305 -410.052 -127.305 -181.186 -181.394 -410.051 -181.395 46.6764 GPRESSURE: 2188800 89.304 -161.853 -435.192 -227.417 -16.7053 -208.797 -421.864 -164.296 60.7291 PRESSAVG: 2188800 46.5361 -34.2666 -48.3414 -34.2667 -10.9293 8.4684 -48.3414 8.4683 6.67015 GPRESSAVG: 2188800 46.074 -34.0216 -48.0594 -35.2277 -9.69772 8.95824 -48.2488 6.94857 6.38448 TIMING: 2188800 CPU: 6906.33, 0.00322175/step Wall: 6906.33, 0.00322175/step, 2.51583 hours remaining, 239.125000 MB of memory in use. ENERGY: 2188800 4058.2016 20509.4424 14563.4455 246.0079 -203525.4446 2651.5835 0.0000 0.0000 52017.7943 -109478.9695 298.9470 -161496.7638 -109128.8951 299.4539 18.6430 44.4426 759663.8390 14.0923 14.2536 PRESSURE: 2189000 -393.194 -12.2318 77.0043 -12.2314 258.461 48.1828 77.004 48.1838 -78.6318 GPRESSURE: 2189000 -297.822 -136.31 5.98452 -89.3931 227.133 75.3222 62.5432 -129.838 -76.2184 PRESSAVG: 2189000 29.2781 -72.878 -15.9241 -72.878 -30.9924 8.60611 -15.9241 8.6062 15.8565 GPRESSAVG: 2189000 30.7127 -74.7477 -15.778 -72.6629 -32.6781 9.12924 -19.0563 9.15553 16.4314 TIMING: 2189000 CPU: 6906.97, 0.0032401/step Wall: 6906.97, 0.0032401/step, 2.52998 hours remaining, 239.125000 MB of memory in use. ENERGY: 2189000 3983.4174 20763.2732 14575.7390 257.0259 -203274.6418 2564.7766 0.0000 0.0000 51900.2725 -109230.1372 298.2716 -161130.4097 -108870.7815 299.3233 -71.1215 -48.9692 760427.6379 4.7141 4.8220 PRESSURE: 2189200 304.04 -89.0233 213.715 -89.0221 -108.217 -193.258 213.717 -193.258 31.1144 GPRESSURE: 2189200 343.677 81.9002 245.747 16.7074 -91.5174 -73.8005 326.571 -223.653 54.5221 PRESSAVG: 2189200 47.758 8.73934 -4.27682 8.73931 -35.0576 -36.218 -4.27683 -36.2178 -29.1554 GPRESSAVG: 2189200 47.6303 10.5126 -3.10087 8.29389 -34.5549 -35.3363 -1.57395 -36.1687 -29.7692 TIMING: 2189200 CPU: 6907.62, 0.00321323/step Wall: 6907.62, 0.00321323/step, 2.50882 hours remaining, 239.125000 MB of memory in use. ENERGY: 2189200 4051.6714 20545.7400 14519.9600 247.0228 -203368.5137 2352.0733 0.0000 0.0000 52289.5454 -109362.5008 300.5087 -161652.0462 -109008.6575 300.2952 75.6459 102.2272 760754.3139 -5.4850 -5.5646 PRESSURE: 2189400 -169.951 125.757 140.079 125.756 -22.7663 196.208 140.078 196.209 81.0869 GPRESSURE: 2189400 -50.664 146.366 189.578 -90.2559 -8.91572 157.968 93.8738 188.225 43.5383 PRESSAVG: 2189400 -8.40732 19.1673 37.7413 19.1674 2.07185 -21.796 37.7414 -21.7961 -27.5462 GPRESSAVG: 2189400 -8.04282 19.3304 35.8066 20.0985 1.57082 -23.5349 36.8063 -21.3613 -27.0172 TIMING: 2189400 CPU: 6908.27, 0.00324418/step Wall: 6908.27, 0.00324418/step, 2.5328 hours remaining, 239.125000 MB of memory in use. ENERGY: 2189400 4005.2442 20599.0704 14589.4297 257.6931 -203171.9751 2333.3881 0.0000 0.0000 52081.4823 -109305.6673 299.3130 -161387.1497 -108950.0590 299.6787 -37.2103 -5.3472 758765.7195 -11.2939 -11.1631 PRESSURE: 2189600 202.346 -109.044 -90.3565 -109.045 -311.515 190.44 -90.3565 190.44 260.668 GPRESSURE: 2189600 215.679 -151.479 -133.189 15.9714 -153.168 255.766 6.86095 201.821 163.66 PRESSAVG: 2189600 -25.5401 -2.70131 7.35948 -2.70137 12.8103 16.4726 7.35946 16.4725 -4.46635 GPRESSAVG: 2189600 -25.1938 -3.07756 8.29835 -2.61965 13.0502 16.8319 5.87639 15.14 -4.63876 TIMING: 2189600 CPU: 6908.91, 0.0032308/step Wall: 6908.91, 0.0032308/step, 2.52218 hours remaining, 239.125000 MB of memory in use. ENERGY: 2189600 4034.3755 20577.6104 14435.3739 234.3032 -203676.4440 2745.1801 0.0000 0.0000 52250.8327 -109398.7682 300.2863 -161649.6009 -109032.2590 299.7945 50.5001 75.3902 760185.5014 -5.7321 -5.5941 PRESSURE: 2189800 314.971 -191.959 -332.839 -191.96 -152.907 -71.0474 -332.839 -71.0483 -209.098 GPRESSURE: 2189800 238.188 -270.969 -412.952 -60.0255 -81.0871 -132.47 -286.243 -94.1419 -122.752 PRESSAVG: 2189800 -5.57261 -46.9434 11.9106 -46.9434 5.07716 -44.5055 11.9105 -44.5054 21.7673 GPRESSAVG: 2189800 -7.16523 -47.2588 12.069 -47.4773 7.25524 -45.8 13.5214 -42.6896 22.0105 TIMING: 2189800 CPU: 6909.56, 0.00322345/step Wall: 6909.56, 0.00322345/step, 2.51626 hours remaining, 239.125000 MB of memory in use. ENERGY: 2189800 3975.2069 20585.8588 14477.9947 220.1491 -203651.5110 2680.9947 0.0000 0.0000 52324.1859 -109387.1208 300.7078 -161711.3068 -109023.2788 299.8701 -15.6777 11.4498 758564.7310 7.0906 7.3668 PRESSURE: 2190000 -340.467 -83.6657 207.823 -83.6662 -404.043 207.605 207.823 207.605 -828.601 GPRESSURE: 2190000 -317.927 26.9229 242.345 -54.6755 -289.524 184.614 246.794 194.905 -878.498 PRESSAVG: 2190000 9.22886 -11.475 -4.62787 -11.475 -18.8246 24.7598 -4.62792 24.7598 -7.36307 GPRESSAVG: 2190000 11.2754 -10.0808 -4.95334 -10.9111 -19.4836 25.0015 -4.35752 23.8902 -8.4724 TIMING: 2190000 CPU: 6910.2, 0.00322104/step Wall: 6910.2, 0.00322104/step, 2.5142 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2190000 4135.3679 20542.8061 14517.4975 249.0625 -203216.6729 2131.0271 0.0000 0.0000 52334.4959 -109306.4159 300.7671 -161640.9118 -108938.4910 299.8691 -524.3705 -495.3163 761328.2651 -5.6529 -5.5602 PRESSURE: 2190200 -146.946 216.237 -22.9132 216.237 -481.588 34.7512 -22.9135 34.7514 -224.721 GPRESSURE: 2190200 -88.8005 119.869 6.69131 255.066 -405.989 130.621 -25.8758 -22.3813 -258.746 PRESSAVG: 2190200 7.80234 14.3065 3.95929 14.3064 21.2746 -33.3422 3.95929 -33.3423 -6.92758 GPRESSAVG: 2190200 7.87776 14.5124 2.57461 13.6807 22.1878 -33.5835 5.18139 -33.1867 -8.07348 TIMING: 2190200 CPU: 6910.84, 0.00322264/step Wall: 6910.84, 0.00322264/step, 2.51527 hours remaining, 239.125000 MB of memory in use. ENERGY: 2190200 3997.9466 20680.3884 14525.2539 239.7443 -203500.0627 2424.8465 0.0000 0.0000 52211.5385 -109420.3445 300.0604 -161631.8830 -109051.5822 299.4121 -284.4180 -251.1786 761842.0521 7.3831 7.3307 PRESSURE: 2190400 -73.5056 57.6606 -33.332 57.6611 87.2194 31.7635 -33.3324 31.7634 -61.004 GPRESSURE: 2190400 -36.0561 -40.7382 -27.6462 77.166 116.696 -8.49521 -39.1792 170.128 -60.5874 PRESSAVG: 2190400 57.9865 5.6488 -11.6387 5.64885 -75.3198 -8.01573 -11.6387 -8.01574 -3.13286 GPRESSAVG: 2190400 56.649 3.59172 -11.1398 6.84654 -76.0791 -7.83085 -13.8678 -6.77424 -1.2861 TIMING: 2190400 CPU: 6911.49, 0.00322828/step Wall: 6911.49, 0.00322828/step, 2.51949 hours remaining, 239.125000 MB of memory in use. ENERGY: 2190400 4035.1272 20499.7623 14465.7644 252.4365 -203401.4538 2588.9165 0.0000 0.0000 51972.7478 -109586.6990 298.6881 -161559.4468 -109229.1242 299.4959 -15.7634 6.6842 763000.7478 -6.8220 -6.9054 PRESSURE: 2190600 -144.709 -119.102 -305.078 -119.102 -380.872 52.1934 -305.077 52.1941 106.752 GPRESSURE: 2190600 -117.381 -44.1826 -294.775 -141.469 -304.512 117.136 -242.263 -44.5594 98.7614 PRESSAVG: 2190600 -52.2075 9.97697 -1.9305 9.97698 49.5986 20.5055 -1.93048 20.5055 -3.35159 GPRESSAVG: 2190600 -52.5336 11.1157 0.0788139 10.2653 50.0853 21.6125 -0.338673 19.3706 -3.63098 TIMING: 2190600 CPU: 6912.14, 0.00322814/step Wall: 6912.14, 0.00322814/step, 2.5192 hours remaining, 239.125000 MB of memory in use. ENERGY: 2190600 3932.6479 20620.3029 14417.3814 234.8054 -203515.6850 2507.4894 0.0000 0.0000 51939.9999 -109863.0582 298.4999 -161803.0580 -109497.3066 298.7894 -139.6096 -107.7107 761398.4463 -1.9868 -2.0264 PRESSURE: 2190800 -306.541 -51.1797 -99.0108 -51.1796 418.421 38.6992 -99.0108 38.6994 -636.927 GPRESSURE: 2190800 -231.609 21.9813 -84.316 -47.7392 445.123 -1.70457 -138.845 47.9974 -628.349 PRESSAVG: 2190800 -51.952 -48.0447 9.11672 -48.0447 54.407 53.4747 9.11673 53.4747 7.80487 GPRESSAVG: 2190800 -51.8706 -46.3937 7.97089 -48.5069 56.2522 53.0149 6.94511 51.3862 6.26128 TIMING: 2190800 CPU: 6912.78, 0.0032335/step Wall: 6912.78, 0.0032335/step, 2.52321 hours remaining, 239.125000 MB of memory in use. ENERGY: 2190800 4075.0458 20801.7568 14414.4409 236.1471 -203514.6855 2650.7193 0.0000 0.0000 51688.9986 -109647.5769 297.0574 -161336.5755 -109297.5347 298.6252 -175.0157 -138.2785 761706.7394 3.4199 3.5476 PRESSURE: 2191000 -107.599 -144.067 151.224 -144.068 73.9947 -42.0076 151.224 -42.0078 -369.597 GPRESSURE: 2191000 -64.0113 -176.125 64.2306 -159.42 72.0338 -19.8575 162.363 -5.66631 -337.079 PRESSAVG: 2191000 2.14743 2.33672 27.949 2.33673 28.6254 25.9502 27.949 25.9502 -7.85146 GPRESSAVG: 2191000 4.91817 1.69416 27.7104 4.06096 24.9726 25.6934 28.8452 29.678 -7.70459 TIMING: 2191000 CPU: 6913.43, 0.00324075/step Wall: 6913.43, 0.00324075/step, 2.52868 hours remaining, 239.125000 MB of memory in use. ENERGY: 2191000 3992.7724 20587.4185 14463.6442 261.9752 -203776.4315 2686.9165 0.0000 0.0000 52283.6234 -109500.0813 300.4747 -161783.7047 -109142.5504 299.0546 -134.4007 -109.6855 761566.7740 7.6405 7.3954 PRESSURE: 2191200 -342.353 61.6208 -249.52 61.62 -312.506 171.342 -249.521 171.343 385.112 GPRESSURE: 2191200 -347.591 67.0139 -212.743 18.0978 -195.881 244.882 -149.857 -57.6066 363.654 PRESSAVG: 2191200 -53.0611 -22.9695 -38.7309 -22.9695 69.747 -13.8439 -38.7309 -13.8439 1.31262 GPRESSAVG: 2191200 -55.3421 -22.3695 -37.8458 -24.1966 71.5058 -13.1416 -36.4884 -16.4388 1.84305 TIMING: 2191200 CPU: 6914.07, 0.00320104/step Wall: 6914.07, 0.00320104/step, 2.49752 hours remaining, 239.125000 MB of memory in use. ENERGY: 2191200 4015.8210 20426.7203 14496.5371 242.9741 -203344.4116 2485.5525 0.0000 0.0000 51955.2643 -109721.5422 298.5876 -161676.8065 -109369.4694 299.2623 -89.9158 -59.9393 760241.7604 5.9995 6.0022 PRESSURE: 2191400 -371.831 33.8846 -77.6261 33.8844 31.6036 -40.5246 -77.6262 -40.5239 -252.19 GPRESSURE: 2191400 -291.598 -66.6551 42.753 8.57714 46.0658 35.1621 -34.5105 59.7578 -253.212 PRESSAVG: 2191400 -64.0432 7.56918 -1.41914 7.56919 38.392 -17.7229 -1.41912 -17.7228 -8.50718 GPRESSAVG: 2191400 -63.9162 6.45066 -1.85936 7.74143 37.9814 -18.1491 -2.44683 -16.2109 -8.4006 TIMING: 2191400 CPU: 6914.72, 0.00321923/step Wall: 6914.72, 0.00321923/step, 2.51154 hours remaining, 239.125000 MB of memory in use. ENERGY: 2191400 3948.3241 20476.2762 14439.6576 250.9575 -203196.6825 2366.6123 0.0000 0.0000 52026.1446 -109688.7101 298.9950 -161714.8547 -109330.4217 298.6661 -197.4727 -166.2479 761899.8208 -11.3861 -11.4451 PRESSURE: 2191600 -130.395 -107.514 247.337 -107.515 -20.9951 60.8035 247.338 60.8026 3.2613 GPRESSURE: 2191600 -92.4196 -187.916 263.086 -9.48612 -37.5801 45.7577 37.6405 92.0745 43.1306 PRESSAVG: 2191600 -2.01793 -8.6613 25.2713 -8.66135 -24.5024 10.8144 25.2713 10.8144 -24.7109 GPRESSAVG: 2191600 -2.41954 -8.04606 25.6271 -9.25751 -25.6623 10.1905 23.5435 9.51384 -22.959 TIMING: 2191600 CPU: 6915.36, 0.00324072/step Wall: 6915.36, 0.00324072/step, 2.52812 hours remaining, 239.125000 MB of memory in use. ENERGY: 2191600 3941.9328 20447.0091 14459.9403 247.3019 -203463.4664 2607.2119 0.0000 0.0000 52046.7332 -109713.3371 299.1133 -161760.0704 -109343.1260 298.4924 -49.3764 -28.9564 760755.3796 -17.0771 -17.0136 PRESSURE: 2191800 -245.65 -128.746 -68.432 -128.745 -99.9746 198.477 -68.4322 198.476 -229.847 GPRESSURE: 2191800 -215.58 -118.547 -212.44 -146.504 -102.871 228.918 -50.2355 149.819 -160.823 PRESSAVG: 2191800 -34.1383 -10.4466 -12.3897 -10.4466 40.6012 5.81037 -12.3897 5.81034 -0.321408 GPRESSAVG: 2191800 -33.2939 -11.3724 -13.0711 -9.45773 41.113 7.87467 -13.4855 6.80561 -1.37313 TIMING: 2191800 CPU: 6916.01, 0.00321815/step Wall: 6916.01, 0.00321815/step, 2.51033 hours remaining, 239.125000 MB of memory in use. ENERGY: 2191800 4095.7362 20366.0058 14434.4060 235.5820 -203574.4992 2590.1506 0.0000 0.0000 52225.8070 -109626.8116 300.1424 -161852.6186 -109267.3529 298.7327 -191.8240 -159.7581 760453.4892 2.0472 2.1486 PRESSURE: 2192000 47.3679 -38.183 -117.968 -38.1818 -297.93 -83.9739 -117.969 -83.9749 82.0001 GPRESSURE: 2192000 96.3517 13.247 -109.178 -106.566 -342.297 -55.0318 -89.8078 -202.024 184.843 PRESSAVG: 2192000 37.2987 20.3751 15.6642 20.3751 18.3425 23.4226 15.6643 23.4225 -8.82649 GPRESSAVG: 2192000 37.1332 16.5903 14.6347 21.3391 18.6186 21.7949 17.0928 21.3893 -9.25881 TIMING: 2192000 CPU: 6916.65, 0.00322922/step Wall: 6916.65, 0.00322922/step, 2.51879 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2192000 4003.9649 20501.1310 14487.3525 252.6324 -203347.6326 2500.4775 0.0000 0.0000 51988.1969 -109613.8775 298.7769 -161602.0744 -109252.7672 299.1078 -56.1873 -20.3674 760153.3992 15.6049 15.4977 PRESSURE: 2192200 -136.778 45.6383 -172.901 45.6381 -127.776 -206.253 -172.902 -206.253 92.5882 GPRESSURE: 2192200 -221.151 82.4165 -154.226 67.1806 -57.7341 -218.704 -112.658 -202.696 198.498 PRESSAVG: 2192200 -15.6641 67.7591 -14.2184 67.7592 -9.59267 11.5448 -14.2185 11.5448 11.0412 GPRESSAVG: 2192200 -15.2764 71.787 -12.7538 65.8381 -9.48065 11.6576 -12.9149 13.5598 10.355 TIMING: 2192200 CPU: 6917.29, 0.00320665/step Wall: 6917.29, 0.00320665/step, 2.50101 hours remaining, 239.125000 MB of memory in use. ENERGY: 2192200 3951.8741 20379.9525 14485.5854 241.1281 -203107.1682 2349.2076 0.0000 0.0000 52134.1792 -109565.2414 299.6158 -161699.4206 -109208.7907 299.1842 -57.3220 -26.7958 762670.8976 -4.7385 -4.8007 LDB: ============= START OF LOAD BALANCING ============== 6929.7 LDB: ============== END OF LOAD BALANCING =============== 6929.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6929.7 LDB: ============= START OF LOAD BALANCING ============== 6930.02 LDB: Largest compute 7034 load 0.035256 is 18.0% of average load 0.195938 LDB: Average compute 0.004408 is 2.2% of average load 0.195938 LDB: TIME 6930.03 LOAD: AVG 0.195938 MAX 0.219319 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 6930.03 LOAD: AVG 0.195938 MAX 0.219319 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: TIME 6930.03 LOAD: AVG 0.195938 MAX 0.217005 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: ============== END OF LOAD BALANCING =============== 6930.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6930.03 PRESSURE: 2192400 -301.648 -122.265 -14.7544 -122.265 3.22275 65.5304 -14.7548 65.5303 -33.128 GPRESSURE: 2192400 -250.105 -114.889 -26.0424 -177.815 -2.37809 107.96 43.043 68.5514 21.725 PRESSAVG: 2192400 -74.2367 10.0245 -9.18847 10.0245 81.7879 -1.62752 -9.18837 -1.62741 7.28479 GPRESSAVG: 2192400 -75.2335 8.87553 -9.7726 10.3106 81.4622 -0.306553 -10.9866 -1.91205 8.91425 TIMING: 2192400 CPU: 6917.95, 0.00327842/step Wall: 6917.95, 0.00327842/step, 2.55681 hours remaining, 238.410156 MB of memory in use. ENERGY: 2192400 4027.6984 20479.6768 14553.3443 242.7627 -203390.6891 2534.4557 0.0000 0.0000 51853.4457 -109699.3055 298.0025 -161552.7511 -109341.0188 299.0215 -110.5177 -76.9192 760454.1917 4.9453 5.0476 PRESSURE: 2192600 -55.5296 54.2262 51.7008 54.2264 -10.0321 -106.372 51.7006 -106.372 -254.995 GPRESSURE: 2192600 2.46704 186.034 28.9549 73.0971 -85.8887 -95.2781 -74.1681 -34.0203 -165.528 PRESSAVG: 2192600 22.0995 3.93921 23.4474 3.93918 -22.5321 -53.341 23.4473 -53.3409 2.79442 GPRESSAVG: 2192600 24.2155 5.69732 23.818 3.95196 -23.7394 -52.9941 25.3056 -52.7287 1.78583 TIMING: 2192600 CPU: 6918.59, 0.00319489/step Wall: 6918.59, 0.00319489/step, 2.49148 hours remaining, 238.613281 MB of memory in use. ENERGY: 2192600 3908.2200 20539.9939 14507.4000 245.5443 -203442.5677 2423.4369 0.0000 0.0000 52207.9156 -109610.0569 300.0396 -161817.9725 -109252.9953 298.4753 -106.8523 -82.9831 760198.1733 0.7873 0.7540 PRESSURE: 2192800 19.4574 -142.987 5.99744 -142.988 -76.6891 -315.735 5.99825 -315.736 147.44 GPRESSURE: 2192800 -13.6428 -188.515 -24.7844 -157.922 66.1265 -280.284 -29.2121 -287.617 114.915 PRESSAVG: 2192800 -15.9909 -33.3356 -16.0188 -33.3356 43.883 -15.3775 -16.0187 -15.3773 1.04495 GPRESSAVG: 2192800 -17.2647 -35.9057 -16.261 -31.8084 45.83 -16.5409 -16.3638 -16.386 0.0874155 TIMING: 2192800 CPU: 6919.24, 0.00323422/step Wall: 6919.24, 0.00323422/step, 2.52197 hours remaining, 238.613281 MB of memory in use. ENERGY: 2192800 3947.2113 20484.3930 14462.3201 226.8897 -203321.7253 2354.2364 0.0000 0.0000 52023.9667 -109822.7080 298.9825 -161846.6748 -109459.3555 298.8917 30.0695 55.7995 759173.4870 9.6457 9.5509 PRESSURE: 2193000 -236.225 -14.0743 147.188 -14.0746 -332.004 -156.098 147.188 -156.099 -15.2375 GPRESSURE: 2193000 -199.379 -172.405 148.869 -82.0428 -320.325 -186.665 149.708 -176.623 5.2159 PRESSAVG: 2193000 9.17285 55.7286 40.7365 55.7286 -15.7306 -53.0314 40.7365 -53.0314 8.5848 GPRESSAVG: 2193000 8.7722 56.8479 42.6189 54.5365 -16.565 -53.1898 41.2106 -52.4162 9.59437 TIMING: 2193000 CPU: 6919.88, 0.00323446/step Wall: 6919.88, 0.00323446/step, 2.52198 hours remaining, 238.613281 MB of memory in use. ENERGY: 2193000 3948.2940 20402.7627 14520.5019 266.2231 -203570.5137 2440.6147 0.0000 0.0000 52031.3261 -109960.7913 299.0247 -161992.1174 -109606.5425 298.0640 -194.4889 -171.4958 760545.7313 0.6757 0.6005 PRESSURE: 2193200 43.2587 -156.164 -213.527 -156.165 320.786 -155.621 -213.526 -155.622 175.539 GPRESSURE: 2193200 64.4241 -22.1726 -244.155 -209.336 300.946 -145.494 -145.321 -166.238 246.014 PRESSAVG: 2193200 -11.7768 21.9131 -14.7739 21.9131 5.59251 -76.8841 -14.7739 -76.8841 -9.3305 GPRESSAVG: 2193200 -12.1971 25.778 -15.6073 19.5976 5.26093 -76.0585 -14.7549 -77.4598 -9.18421 TIMING: 2193200 CPU: 6920.53, 0.00322885/step Wall: 6920.53, 0.00322885/step, 2.51743 hours remaining, 238.613281 MB of memory in use. ENERGY: 2193200 3930.4238 20459.5072 14450.6962 243.5631 -203780.1748 2965.5736 0.0000 0.0000 51894.1910 -109836.2199 298.2366 -161730.4109 -109484.3550 298.6630 179.8614 203.7947 761614.6156 -5.1716 -5.3735 PRESSURE: 2193400 32.8557 -66.8432 55.5927 -66.8424 46.5598 293.843 55.5924 293.843 177.474 GPRESSURE: 2193400 15.941 -61.2238 157.55 -203.305 188.123 203.539 47.5541 396.555 147.545 PRESSAVG: 2193400 -8.87899 -1.966 25.6955 -1.96598 -21.2891 -22.5838 25.6955 -22.5838 3.56713 GPRESSAVG: 2193400 -8.70133 -5.0825 26.0294 0.0273323 -20.9802 -23.8223 24.8286 -21.8599 3.15252 TIMING: 2193400 CPU: 6921.17, 0.00322289/step Wall: 6921.17, 0.00322289/step, 2.5126 hours remaining, 238.613281 MB of memory in use. ENERGY: 2193400 3901.2306 20516.1261 14486.0880 235.2451 -203757.0492 2640.5467 0.0000 0.0000 52063.2897 -109914.5230 299.2084 -161977.8126 -109554.3458 298.1098 85.6299 117.2031 760831.0047 -8.8670 -8.8430 PRESSURE: 2193600 160.28 -202.702 -42.7938 -202.702 313.75 28.622 -42.7933 28.6227 471.462 GPRESSURE: 2193600 233.409 -198.83 14.243 -153.061 264.162 14.2511 -147.527 -3.98328 508.799 PRESSAVG: 2193600 -36.2819 8.40078 75.9301 8.40085 75.3935 -6.33222 75.9301 -6.33215 8.17907 GPRESSAVG: 2193600 -35.961 8.97287 76.0816 7.26852 74.4622 -6.08542 74.029 -7.25836 8.80779 TIMING: 2193600 CPU: 6921.82, 0.0032351/step Wall: 6921.82, 0.0032351/step, 2.52194 hours remaining, 238.613281 MB of memory in use. ENERGY: 2193600 3918.7748 20568.0428 14540.1772 248.8934 -203647.0600 2743.0933 0.0000 0.0000 51840.4855 -109787.5931 297.9280 -161628.0786 -109434.4928 298.9129 315.1640 335.4570 761855.3137 15.7636 15.7696 PRESSURE: 2193800 245.314 -33.6364 22.2786 -33.637 -118.714 -71.5301 22.2783 -71.5309 172.812 GPRESSURE: 2193800 235.473 51.9321 65.9784 -10.338 -45.0595 4.40744 2.32051 6.44899 188.076 PRESSAVG: 2193800 -37.7411 -25.9632 33.3333 -25.9632 18.7655 -46.1175 33.3333 -46.1175 7.87676 GPRESSAVG: 2193800 -38.9349 -25.8352 32.0022 -24.7157 21.2747 -47.6205 36.6601 -46.3459 7.13033 TIMING: 2193800 CPU: 6922.46, 0.00321608/step Wall: 6922.46, 0.00321608/step, 2.50693 hours remaining, 238.613281 MB of memory in use. ENERGY: 2193800 3987.9852 20564.0558 14501.6496 222.7001 -203393.2595 2492.3595 0.0000 0.0000 51746.5778 -109877.9315 297.3883 -161624.5093 -109523.6131 298.7264 99.8040 126.1633 760474.7999 -3.6996 -3.5100 PRESSURE: 2194000 -106.982 -79.3594 22.8771 -79.3598 142.778 119.004 22.8774 119.005 -72.4051 GPRESSURE: 2194000 -8.23637 -101.752 94.2898 -143.079 101.854 112.256 -12.9521 73.6862 -52.3846 PRESSAVG: 2194000 30.3622 -95.1107 50.8218 -95.1107 -42.7043 -10.7232 50.8217 -10.7232 -13.0703 GPRESSAVG: 2194000 30.6624 -94.2329 51.2904 -96.5763 -43.6008 -9.46932 49.7971 -7.59573 -12.4858 TIMING: 2194000 CPU: 6923.11, 0.00324599/step Wall: 6923.11, 0.00324599/step, 2.53007 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2194000 3889.8593 20554.2654 14482.3500 233.7770 -203805.4871 2718.3367 0.0000 0.0000 52227.0711 -109699.8277 300.1497 -161926.8988 -109335.6883 298.8248 -12.2030 13.7444 761078.6229 -8.4708 -8.4748 PRESSURE: 2194200 -149.098 6.38612 35.6042 6.38643 -58.5947 4.86502 35.6031 4.86465 -331.462 GPRESSURE: 2194200 -170.15 -93.8436 -11.1626 104.325 -69.8978 72.8324 -66.0495 -53.6855 -218.455 PRESSAVG: 2194200 9.82907 -33.5668 18.82 -33.5667 11.7817 14.0863 18.82 14.0863 -4.10093 GPRESSAVG: 2194200 9.68564 -33.614 17.9757 -32.4294 11.9721 14.1272 18.3931 12.8047 -4.06712 TIMING: 2194200 CPU: 6923.76, 0.00321416/step Wall: 6923.76, 0.00321416/step, 2.50508 hours remaining, 238.613281 MB of memory in use. ENERGY: 2194200 3955.8916 20340.4570 14541.9771 237.2235 -203201.2486 2258.1318 0.0000 0.0000 52044.2098 -109823.3577 299.0988 -161867.5675 -109453.4370 298.9111 -179.7183 -152.8342 761311.1886 5.8366 5.8635 PRESSURE: 2194400 -304.697 83.1411 51.0381 83.1417 -217.958 -1.50668 51.0379 -1.50688 275.443 GPRESSURE: 2194400 -249.599 -10.4307 4.38034 136.874 -156.169 25.751 172.9 3.58464 243.104 PRESSAVG: 2194400 -69.9277 33.0225 17.0609 33.0225 9.58436 5.405 17.0609 5.40506 -5.58343 GPRESSAVG: 2194400 -70.3185 32.2315 17.4771 33.2421 9.66135 5.13112 16.9034 4.78806 -5.37635 TIMING: 2194400 CPU: 6924.4, 0.00321677/step Wall: 6924.4, 0.00321677/step, 2.50694 hours remaining, 238.613281 MB of memory in use. ENERGY: 2194400 4025.8064 20620.7813 14442.4584 247.2518 -203519.6562 2624.8845 0.0000 0.0000 51945.3280 -109613.1459 298.5305 -161558.4739 -109262.1824 298.6604 -82.4044 -54.2215 762608.0366 -21.9756 -22.0112 PRESSURE: 2194600 -9.00391 -93.8677 99.1489 -93.869 36.7556 -166.782 99.1493 -166.781 -218.872 GPRESSURE: 2194600 9.25369 -150.816 71.4217 -71.3707 121.426 -150.873 168.241 -109.416 -251.308 PRESSAVG: 2194600 18.2643 53.3993 -9.70219 53.3993 -42.7036 -18.764 -9.70218 -18.764 -9.71549 GPRESSAVG: 2194600 18.6669 52.9891 -9.21231 53.6543 -41.9724 -18.0079 -9.53005 -16.8423 -10.9248 TIMING: 2194600 CPU: 6925.04, 0.00321428/step Wall: 6925.04, 0.00321428/step, 2.50482 hours remaining, 238.613281 MB of memory in use. ENERGY: 2194600 3998.5365 20515.9574 14480.4128 236.9673 -203787.6767 2698.7762 0.0000 0.0000 52060.3857 -109796.6408 299.1918 -161857.0265 -109440.1250 299.1554 -63.7069 -40.2093 763032.7724 -11.3850 -11.4101 PRESSURE: 2194800 -131.469 143.978 183.884 143.977 -359.118 -166.675 183.884 -166.675 134.666 GPRESSURE: 2194800 -74.9407 114.274 102.77 151.571 -252.353 -153.939 9.53536 -84.4383 52.5275 PRESSAVG: 2194800 -5.44069 11.9337 -49.3561 11.9338 28.763 -21.6089 -49.3562 -21.609 24.054 GPRESSAVG: 2194800 -5.74974 11.4387 -49.1555 11.3964 28.7963 -21.1205 -52.7483 -22.3789 24.5086 TIMING: 2194800 CPU: 6925.69, 0.00322787/step Wall: 6925.69, 0.00322787/step, 2.51523 hours remaining, 238.613281 MB of memory in use. ENERGY: 2194800 3974.2268 20613.6096 14427.4481 233.1616 -203626.2990 2662.2530 0.0000 0.0000 52000.3128 -109715.2870 298.8465 -161715.5998 -109342.6841 299.0205 -118.6404 -91.5887 762148.7131 15.7921 15.8517 PRESSURE: 2195000 -536.082 -4.35835 205.477 -4.3583 113.864 74.487 205.477 74.4881 -142.942 GPRESSURE: 2195000 -401.451 -32.4612 166.679 -45.6392 56.725 14.7171 112.053 8.09502 -145.544 PRESSAVG: 2195000 -60.1755 17.619 1.88443 17.619 73.7571 1.88334 1.88442 1.8833 -1.93697 GPRESSAVG: 2195000 -59.6091 18.868 -0.0792593 17.4781 72.9304 1.59113 5.01706 0.837771 -1.69709 TIMING: 2195000 CPU: 6926.33, 0.00320222/step Wall: 6926.33, 0.00320222/step, 2.49506 hours remaining, 238.613281 MB of memory in use. ENERGY: 2195000 3949.6948 20494.9120 14434.6813 228.4449 -203306.8611 2308.9367 0.0000 0.0000 51997.9050 -109892.2863 298.8327 -161890.1913 -109530.5050 299.0545 -188.3865 -163.4232 760140.6395 3.8815 3.8747 PRESSURE: 2195200 82.3523 -29.0396 -54.9447 -29.0389 -214.712 68.1654 -54.9447 68.1648 -349.432 GPRESSURE: 2195200 153.929 -124.437 -81.4348 -34.8382 -186.624 -5.05237 29.6811 173.588 -350.383 PRESSAVG: 2195200 20.2538 -28.8564 2.28088 -28.8564 -11.5818 -32.0992 2.28085 -32.0991 0.433186 GPRESSAVG: 2195200 20.4556 -31.166 3.86238 -26.9129 -10.7344 -32.0382 4.93947 -31.9056 -0.305648 TIMING: 2195200 CPU: 6926.97, 0.00319533/step Wall: 6926.97, 0.00319533/step, 2.48952 hours remaining, 238.613281 MB of memory in use. ENERGY: 2195200 4018.0253 20477.5189 14491.8811 238.2671 -203475.6762 2405.9887 0.0000 0.0000 51948.0469 -109895.9483 298.5461 -161843.9951 -109545.1540 298.5426 -160.5972 -127.6925 761611.8408 3.0351 3.1385 PRESSURE: 2195400 20.1381 53.1012 225.365 53.1006 -47.2189 -297.441 225.365 -297.44 -351.015 GPRESSURE: 2195400 -20.1693 95.0553 194.527 -20.8113 -23.9158 -218.032 163.29 -300.57 -254.145 PRESSAVG: 2195400 34.2824 4.22179 41.6394 4.2218 -6.79862 -68.3105 41.6395 -68.3106 -10.7289 GPRESSAVG: 2195400 33.1002 6.07859 41.4425 0.523571 -7.33687 -66.4985 37.7521 -69.2364 -9.1634 TIMING: 2195400 CPU: 6927.6, 0.00319008/step Wall: 6927.6, 0.00319008/step, 2.48525 hours remaining, 238.613281 MB of memory in use. ENERGY: 2195400 4014.8509 20474.4716 14486.0322 228.5567 -203835.4544 2760.7692 0.0000 0.0000 52016.6147 -109854.1591 298.9402 -161870.7738 -109485.6580 299.0188 -126.0319 -99.4101 761079.8048 5.5850 5.5333 PRESSURE: 2195600 49.1091 -24.5054 74.8581 -24.505 -157.724 -100.505 74.8588 -100.505 171.746 GPRESSURE: 2195600 154.653 -53.1477 86.0904 -98.1537 -197.516 -9.07763 -66.9885 -150.553 178.192 PRESSAVG: 2195600 23.7029 -52.1348 37.0684 -52.1348 -13.058 -51.8617 37.0683 -51.8616 11.2717 GPRESSAVG: 2195600 23.7607 -53.3247 35.2267 -48.9103 -11.9972 -52.9488 39.1147 -51.3858 9.86035 TIMING: 2195600 CPU: 6928.24, 0.00317861/step Wall: 6928.24, 0.00317861/step, 2.47613 hours remaining, 238.613281 MB of memory in use. ENERGY: 2195600 4000.7029 20312.7718 14476.3040 232.5335 -203696.9188 2656.3332 0.0000 0.0000 52227.8482 -109790.4252 300.1542 -162018.2734 -109413.9122 298.8296 21.0437 45.1098 760123.2867 7.3055 7.2079 PRESSURE: 2195800 -93.9992 104.472 79.1361 104.472 327.02 137.77 79.1363 137.769 204.053 GPRESSURE: 2195800 -125.301 101.293 113.919 205.332 351.332 25.1479 48.3179 206.89 304.172 PRESSAVG: 2195800 25.6534 26.7226 -25.0457 26.7226 -30.3439 -56.1907 -25.0458 -56.1907 5.45477 GPRESSAVG: 2195800 26.8912 26.8227 -23.5861 25.2402 -31.0831 -57.6841 -25.5107 -54.1337 4.88933 TIMING: 2195800 CPU: 6928.88, 0.00319286/step Wall: 6928.88, 0.00319286/step, 2.48706 hours remaining, 238.613281 MB of memory in use. ENERGY: 2195800 3957.4634 20724.2233 14437.3263 247.6498 -203382.0171 2504.0945 0.0000 0.0000 51893.9735 -109617.2862 298.2354 -161511.2597 -109261.9751 299.3575 145.6914 176.7339 761294.9768 0.2547 0.2325 PRESSURE: 2196000 -8.55873 -330.189 250.801 -330.191 -260.354 -16.1494 250.8 -16.1501 155.657 GPRESSURE: 2196000 -9.66074 -194.291 209.069 -283.467 -161.061 4.53336 203.958 -86.1235 135.598 PRESSAVG: 2196000 2.31491 -15.3158 31.8066 -15.3157 -17.8977 19.2712 31.8066 19.2711 -5.66229 GPRESSAVG: 2196000 3.29429 -14.7152 31.6828 -14.4398 -18.0672 18.9054 33.0848 16.764 -5.80032 TIMING: 2196000 CPU: 6929.52, 0.00322755/step Wall: 6929.52, 0.00322755/step, 2.5139 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2196000 4006.5248 20345.4530 14386.4263 243.5049 -203786.9472 2729.1692 0.0000 0.0000 52266.3068 -109809.5622 300.3752 -162075.8690 -109439.3110 298.8648 -37.7519 -11.7079 761266.9171 -7.0817 -6.8578 PRESSURE: 2196200 -13.4949 -219.398 -133.329 -219.397 -273.666 83.1863 -133.329 83.1866 -252.219 GPRESSURE: 2196200 80.4017 -164.495 -90.6328 -159.885 -237.097 66.8242 -183.464 -27.763 -306.647 PRESSAVG: 2196200 -15.9973 -58.004 -29.6108 -58.004 -27.5961 34.2577 -29.6109 34.2576 14.9059 GPRESSAVG: 2196200 -16.6099 -59.0837 -29.5592 -56.7225 -27.562 33.5625 -31.2665 35.9429 15.2154 TIMING: 2196200 CPU: 6930.17, 0.003211/step Wall: 6930.17, 0.003211/step, 2.50083 hours remaining, 238.613281 MB of memory in use. ENERGY: 2196200 4018.3446 20479.7656 14413.2659 246.0973 -203461.8762 2494.1863 0.0000 0.0000 51888.0843 -109922.1322 298.2015 -161810.2165 -109555.3723 298.4386 -179.7935 -154.4476 761144.3523 -9.5625 -9.6522 LDB: ============= START OF LOAD BALANCING ============== 6942.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6942.57 LDB: =============== DONE WITH MIGRATION ================ 6942.57 LDB: ============= START OF LOAD BALANCING ============== 6942.89 LDB: Largest compute 7034 load 0.035585 is 18.2% of average load 0.195913 LDB: Average compute 0.004408 is 2.3% of average load 0.195913 LDB: TIME 6942.9 LOAD: AVG 0.195913 MAX 0.219096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.215 MB LDB: TIME 6942.9 LOAD: AVG 0.195913 MAX 0.219096 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.215 MB LDB: TIME 6942.9 LOAD: AVG 0.195913 MAX 0.216767 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.215 MB LDB: ============== END OF LOAD BALANCING =============== 6942.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6942.91 PRESSURE: 2196400 50.2998 11.3123 113.481 11.3123 -73.8377 238.361 113.481 238.36 -233.699 GPRESSURE: 2196400 10.4045 84.472 176.813 84.2876 -74.7849 215.352 68.458 279.873 -119.708 PRESSAVG: 2196400 22.0341 -51.3419 10.356 -51.3419 53.5707 50.4321 10.356 50.4321 -17.9804 GPRESSAVG: 2196400 19.641 -47.6108 10.5113 -52.6502 54.3145 52.9798 8.95342 48.1932 -16.2153 TIMING: 2196400 CPU: 6930.82, 0.00328484/step Wall: 6930.82, 0.00328485/step, 2.55816 hours remaining, 237.640625 MB of memory in use. ENERGY: 2196400 4028.7317 20486.5584 14358.7859 236.6163 -203390.9673 2440.7405 0.0000 0.0000 51987.0071 -109852.5276 298.7700 -161839.5347 -109485.6332 299.1362 -85.7458 -61.3626 762155.8600 19.2081 19.2467 PRESSURE: 2196600 38.0076 -121.172 65.8188 -121.171 -103.005 202.936 65.8195 202.935 352.227 GPRESSURE: 2196600 135.927 -143.565 89.0526 -37.3146 -156.779 163.509 115.741 146.009 393.577 PRESSAVG: 2196600 37.1019 2.04669 48.7085 2.04667 -19.2527 4.13613 48.7085 4.13612 9.7352 GPRESSAVG: 2196600 38.9039 -0.36084 48.9226 1.79153 -20.0358 4.97735 51.9755 4.80577 8.62798 TIMING: 2196600 CPU: 6931.46, 0.00317005/step Wall: 6931.46, 0.00317005/step, 2.46859 hours remaining, 237.640625 MB of memory in use. ENERGY: 2196600 3883.8144 20506.7689 14413.2281 240.7376 -203203.1116 2383.7745 0.0000 0.0000 52121.5658 -109653.2223 299.5434 -161774.7881 -109279.6780 298.8249 95.7430 124.2417 760778.4713 9.1948 9.1654 PRESSURE: 2196800 -22.8948 -39.6027 -43.2071 -39.6029 -276.182 116.98 -43.2076 116.979 -228.185 GPRESSURE: 2196800 -30.4507 -87.4861 -11.4956 -68.9673 -240.814 154.007 -129.798 85.575 -177.782 PRESSAVG: 2196800 42.9353 -39.1893 12.3664 -39.1892 9.49046 30.9421 12.3664 30.9421 13.7254 GPRESSAVG: 2196800 42.9853 -39.2436 11.4852 -38.0042 9.84784 29.2129 13.4243 30.3143 13.4277 TIMING: 2196800 CPU: 6932.1, 0.00320463/step Wall: 6932.1, 0.00320463/step, 2.49534 hours remaining, 237.640625 MB of memory in use. ENERGY: 2196800 4037.5247 20385.9208 14487.3047 256.4882 -203316.7778 2479.9191 0.0000 0.0000 52171.0830 -109498.5374 299.8279 -161669.6204 -109146.4778 299.2152 -175.7539 -149.6823 761353.4319 22.0504 22.0870 PRESSURE: 2197000 -133.14 -149.397 38.3741 -149.397 -118.554 -175.97 38.3751 -175.969 136.721 GPRESSURE: 2197000 -61.621 -48.7797 -56.2069 -13.589 -51.6923 -193.268 64.0547 -92.6456 100.929 PRESSAVG: 2197000 -3.86486 -15.5066 35.2916 -15.5066 -13.8951 6.15356 35.2916 6.1536 -9.6128 GPRESSAVG: 2197000 -4.02287 -12.7513 35.6506 -17.0174 -14.0716 4.97863 31.0724 5.88273 -10.0569 TIMING: 2197000 CPU: 6932.74, 0.00320052/step Wall: 6932.74, 0.00320052/step, 2.49196 hours remaining, 237.640625 MB of memory in use. ENERGY: 2197000 3981.9279 20471.8357 14434.1125 256.4619 -203172.1001 2307.3578 0.0000 0.0000 52122.8383 -109597.5660 299.5507 -161720.4043 -109244.9466 298.9192 -38.3243 -4.1280 761007.4964 -9.1243 -9.3838 PRESSURE: 2197200 2.72755 34.6208 -85.3123 34.6206 -12.7528 176.367 -85.3126 176.367 -191.166 GPRESSURE: 2197200 7.62051 35.6087 -75.6275 173.421 24.5752 267.15 -48.1323 96.3273 -168.873 PRESSAVG: 2197200 -7.5557 -88.051 50.0915 -88.051 -31.8893 -1.65076 50.0916 -1.65083 -1.19783 GPRESSAVG: 2197200 -8.87079 -90.1321 49.5281 -86.5804 -31.0929 -0.0341812 50.5187 -0.554539 -0.907362 TIMING: 2197200 CPU: 6933.38, 0.00318879/step Wall: 6933.38, 0.00318879/step, 2.48265 hours remaining, 237.640625 MB of memory in use. ENERGY: 2197200 3995.2946 20605.8150 14502.5646 242.7749 -203447.1271 2514.5095 0.0000 0.0000 51955.8662 -109630.3022 298.5911 -161586.1684 -109273.0548 299.3723 -67.0636 -45.5590 760188.1083 -13.5476 -13.6237 PRESSURE: 2197400 -97.3105 -23.5586 -120.394 -23.5584 -80.8963 264.225 -120.394 264.224 97.9762 GPRESSURE: 2197400 14.3829 -64.9322 -120.294 16.3669 -61.0791 206.019 -114.585 138.351 52.0698 PRESSAVG: 2197400 32.7443 12.0014 -78.2732 12.0013 -29.0665 16.2898 -78.2733 16.2898 -22.4117 GPRESSAVG: 2197400 34.8314 11.5534 -78.4515 11.2464 -29.7602 15.3736 -76.6259 14.594 -23.4732 TIMING: 2197400 CPU: 6934.02, 0.00321157/step Wall: 6934.02, 0.00321157/step, 2.50021 hours remaining, 237.640625 MB of memory in use. ENERGY: 2197400 3990.0092 20479.7311 14499.1480 236.0997 -203709.5442 2801.4005 0.0000 0.0000 51975.4120 -109727.7437 298.7034 -161703.1556 -109363.9775 298.9396 -26.7436 1.7912 761143.6956 -6.2446 -6.1340 PRESSURE: 2197600 224.185 6.3069 -26.6483 6.3067 74.8634 155.653 -26.6472 155.654 -570.16 GPRESSURE: 2197600 270.093 -68.4816 -24.6084 -99.9332 115.606 128.312 -47.6988 32.9352 -565.908 PRESSAVG: 2197600 35.4252 9.14298 12.8754 9.14302 -17.9464 72.8421 12.8754 72.8421 12.3287 GPRESSAVG: 2197600 35.1999 9.25003 13.4529 8.37902 -18.6119 72.4632 11.6296 73.2235 13.5954 TIMING: 2197600 CPU: 6934.66, 0.00320493/step Wall: 6934.66, 0.00320493/step, 2.49486 hours remaining, 237.640625 MB of memory in use. ENERGY: 2197600 3968.1344 20484.3492 14418.0578 249.0571 -203543.4339 2481.9383 0.0000 0.0000 51901.9423 -110039.9549 298.2812 -161941.8972 -109673.1276 298.6054 -90.3706 -60.0697 761718.4647 9.9358 10.0611 PRESSURE: 2197800 49.9706 -74.5412 43.9255 -74.5404 132.945 -46.6388 43.9265 -46.6388 -173.758 GPRESSURE: 2197800 87.3152 -108.966 -30.0008 -71.176 155.901 -23.6131 -58.517 -124.312 -149.77 PRESSAVG: 2197800 -37.8437 -34.2755 -26.3584 -34.2755 -0.633528 -11.2531 -26.3584 -11.2531 -11.067 GPRESSAVG: 2197800 -37.2332 -34.0424 -26.6391 -33.9405 -0.46853 -11.4001 -26.6343 -9.34367 -11.6942 TIMING: 2197800 CPU: 6935.31, 0.00322919/step Wall: 6935.31, 0.00322919/step, 2.51356 hours remaining, 237.640625 MB of memory in use. ENERGY: 2197800 3930.1944 20306.2293 14476.9624 259.5100 -203706.6723 2675.9077 0.0000 0.0000 52089.8496 -109968.0189 299.3611 -162057.8685 -109603.7836 297.9756 3.0526 31.1489 761810.2841 -16.5147 -16.4653 PRESSURE: 2198000 75.977 -266.937 75.4439 -266.937 238.22 -46.7418 75.4445 -46.7411 182.24 GPRESSURE: 2198000 107.471 -208.741 52.0128 -113.816 252.386 -34.7155 -36.4766 -121.388 214.304 PRESSAVG: 2198000 8.53309 -26.6519 -13.1405 -26.6519 -29.016 13.0269 -13.1404 13.0269 35.9495 GPRESSAVG: 2198000 9.13268 -26.2897 -13.9828 -27.3325 -28.8656 15.7175 -13.1419 10.6095 35.5532 TIMING: 2198000 CPU: 6935.95, 0.00320279/step Wall: 6935.95, 0.00320279/step, 2.49284 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2198000 3894.1925 20611.6057 14526.2862 241.4270 -203802.7366 2730.4717 0.0000 0.0000 51893.2833 -109905.4702 298.2314 -161798.7535 -109557.1575 298.2640 165.4789 191.3871 762156.2923 5.1555 5.2734 PRESSURE: 2198200 80.5296 -135.374 78.5148 -135.374 -43.4275 93.6325 78.514 93.6335 -184.097 GPRESSURE: 2198200 92.748 -113.075 83.4015 -157.064 -84.2024 39.0714 98.3762 163.62 -84.7298 PRESSAVG: 2198200 7.91411 11.184 -27.7901 11.184 -35.8692 29.6889 -27.7902 29.6889 -11.8896 GPRESSAVG: 2198200 7.67249 11.5472 -26.9502 9.85935 -36.4043 26.7957 -27.4089 30.4261 -11.9644 TIMING: 2198200 CPU: 6936.58, 0.00319411/step Wall: 6936.58, 0.00319411/step, 2.4859 hours remaining, 237.640625 MB of memory in use. ENERGY: 2198200 3907.2293 20533.7704 14413.0011 251.6576 -203706.6331 2712.0135 0.0000 0.0000 51970.2538 -109918.7075 298.6738 -161888.9613 -109556.7567 297.8688 -48.9982 -25.3947 761459.6564 -13.2816 -13.5654 PRESSURE: 2198400 -137.527 -99.9284 -78.3817 -99.9285 -149.01 20.1612 -78.3814 20.1618 61.7904 GPRESSURE: 2198400 -102.659 -43.741 -45.3034 -102.181 -51.5817 -35.4718 -214.703 62.2395 25.4149 PRESSAVG: 2198400 -23.0697 6.64823 -23.3039 6.64824 -10.3085 57.3581 -23.3039 57.3581 -30.9203 GPRESSAVG: 2198400 -24.2427 8.07917 -23.3442 6.42397 -8.94051 58.1172 -24.0439 57.7944 -31.2435 TIMING: 2198400 CPU: 6937.23, 0.00321615/step Wall: 6937.23, 0.00321615/step, 2.50288 hours remaining, 237.640625 MB of memory in use. ENERGY: 2198400 4022.4717 20502.5299 14437.1469 236.4308 -203982.9341 2959.9584 0.0000 0.0000 51963.1412 -109861.2553 298.6329 -161824.3964 -109505.5604 298.5754 -74.9157 -42.9421 761057.9351 -21.4328 -21.4755 PRESSURE: 2198600 97.2191 156.575 33.0735 156.575 377.524 -67.257 33.0732 -67.2578 115.249 GPRESSURE: 2198600 193.008 203.995 -31.2778 46.2274 340.482 33.6613 6.55942 -72.6368 132.863 PRESSAVG: 2198600 1.6978 13.0665 -12.3248 13.0665 -0.168693 -38.8716 -12.3248 -38.8715 22.7664 GPRESSAVG: 2198600 0.455269 10.938 -12.6721 13.2784 -0.912186 -38.5428 -12.8592 -37.1416 24.4115 TIMING: 2198600 CPU: 6937.87, 0.00321538/step Wall: 6937.87, 0.00321539/step, 2.50211 hours remaining, 237.640625 MB of memory in use. ENERGY: 2198600 3961.9467 20406.7770 14476.2790 240.2122 -203335.1434 2626.2932 0.0000 0.0000 51885.8101 -109737.8251 298.1885 -161623.6352 -109389.7713 298.6328 196.6640 222.1179 761997.1763 8.0985 7.9849 PRESSURE: 2198800 141.19 -179.226 107.711 -179.227 -37.7255 -329.005 107.71 -329.005 -289.717 GPRESSURE: 2198800 157.623 -199.531 12.266 -90.024 1.34552 -283.295 16.4247 -377.073 -258.251 PRESSAVG: 2198800 22.1907 33.8463 -36.608 33.8462 -35.7887 -62.5918 -36.608 -62.5919 14.345 GPRESSAVG: 2198800 24.3993 34.725 -36.4315 34.6102 -37.5163 -61.4138 -33.6415 -64.3195 13.1116 TIMING: 2198800 CPU: 6938.51, 0.00319712/step Wall: 6938.51, 0.00319712/step, 2.48771 hours remaining, 237.640625 MB of memory in use. ENERGY: 2198800 3970.1763 20406.1625 14505.9446 249.1691 -203651.8501 2577.2855 0.0000 0.0000 52204.0661 -109739.0459 300.0175 -161943.1120 -109380.9361 298.9673 -62.0840 -33.0942 759070.3521 0.2490 -0.0018 PRESSURE: 2199000 45.1895 92.0094 34.09 92.01 156.192 150.479 34.0898 150.478 104.321 GPRESSURE: 2199000 46.5949 126.361 7.63771 74.0121 269.726 56.0807 -18.0886 179.338 89.3795 PRESSAVG: 2199000 -2.4185 -23.4429 -29.6101 -23.4429 -14.2873 -8.46746 -29.6101 -8.46739 4.34821 GPRESSAVG: 2199000 -3.07963 -23.4181 -30.3646 -23.4172 -13.9997 -9.98349 -32.4779 -7.96997 4.49012 TIMING: 2199000 CPU: 6939.14, 0.00317275/step Wall: 6939.14, 0.00317275/step, 2.46858 hours remaining, 237.640625 MB of memory in use. ENERGY: 2199000 3890.8291 20369.4429 14433.3280 249.1402 -203100.3532 2443.7740 0.0000 0.0000 52024.1327 -109689.7062 298.9834 -161713.8390 -109329.3013 298.7011 101.9007 135.2335 760300.9008 -4.1192 -4.1964 PRESSURE: 2199200 88.5689 34.5083 -12.49 34.5085 21.9785 358.146 -12.4893 358.146 -180.621 GPRESSURE: 2199200 162.516 66.1714 32.4559 5.44991 78.3097 302.333 4.41387 205.349 -212.142 PRESSAVG: 2199200 -21.2096 -44.7441 -32.8502 -44.7441 65.3214 -10.9083 -32.8503 -10.9083 -7.24576 GPRESSAVG: 2199200 -20.9402 -44.619 -31.7281 -46.2937 64.7247 -11.5229 -32.7586 -11.0134 -6.83022 TIMING: 2199200 CPU: 6939.78, 0.00315365/step Wall: 6939.78, 0.00315365/step, 2.45354 hours remaining, 237.640625 MB of memory in use. ENERGY: 2199200 3979.9007 20413.6206 14532.9741 244.2732 -203092.1903 2385.5187 0.0000 0.0000 52212.5419 -109323.3610 300.0662 -161535.9030 -108958.3702 299.0689 -23.3577 9.5613 761531.5604 12.2887 12.3181 PRESSURE: 2199400 -280.585 -166.674 -142.853 -166.674 -64.7026 26.4011 -142.853 26.401 168.403 GPRESSURE: 2199400 -252.156 -73.2883 -226.835 -106.539 -30.4847 68.0217 -92.8272 -93.1258 193.086 PRESSAVG: 2199400 19.6118 42.4528 6.4824 42.4528 5.66854 -42.2523 6.48244 -42.2522 17.9885 GPRESSAVG: 2199400 20.5697 42.1178 6.04537 45.0024 5.78115 -41.8954 8.27742 -42.4836 16.9882 TIMING: 2199400 CPU: 6940.41, 0.00318998/step Wall: 6940.41, 0.00318998/step, 2.48163 hours remaining, 237.640625 MB of memory in use. ENERGY: 2199400 3948.5199 20452.4521 14480.8315 234.9013 -203243.6650 2602.6577 0.0000 0.0000 52196.0739 -109328.2286 299.9716 -161524.3024 -108974.6129 299.3575 -58.9616 -29.8517 760991.3637 14.4229 14.4464 PRESSURE: 2199600 -348.822 89.3453 0.84047 89.3444 -15.4727 -237.414 0.840229 -237.413 -183.465 GPRESSURE: 2199600 -300.194 178.222 68.7845 29.3038 42.4126 -195.079 68.2519 -216.971 -213.573 PRESSAVG: 2199600 -8.24443 11.7246 20.7902 11.7246 -7.49498 29.7017 20.7902 29.7016 12.2899 GPRESSAVG: 2199600 -8.31442 13.0913 23.1076 11.7256 -6.03767 29.9351 20.2977 28.1511 10.7721 TIMING: 2199600 CPU: 6941.06, 0.00323169/step Wall: 6941.06, 0.00323169/step, 2.51389 hours remaining, 237.640625 MB of memory in use. ENERGY: 2199600 3950.4173 20563.1683 14464.6865 227.3421 -202928.9915 2223.1795 0.0000 0.0000 52245.5908 -109254.6071 300.2561 -161500.1979 -108891.4392 299.6501 -182.5866 -157.1183 762285.6202 -1.1498 -1.1933 PRESSURE: 2199800 -87.2573 -212.853 136.92 -212.853 -109.724 -70.7142 136.92 -70.714 236.259 GPRESSURE: 2199800 -105.666 -113.065 103.406 -227.674 -54.1027 -107.505 81.2321 45.954 258.07 PRESSAVG: 2199800 3.00487 26.919 -24.5289 26.919 -6.7579 -3.93414 -24.529 -3.93414 -33.0197 GPRESSAVG: 2199800 1.62875 26.427 -26.6627 25.6362 -7.24461 -3.67404 -24.0888 -1.81191 -31.5746 TIMING: 2199800 CPU: 6941.71, 0.00324516/step Wall: 6941.71, 0.00324516/step, 2.5242 hours remaining, 237.640625 MB of memory in use. ENERGY: 2199800 3990.3889 20509.2288 14462.1005 247.2576 -202865.9683 2341.8779 0.0000 0.0000 52108.9022 -109206.2122 299.4706 -161315.1144 -108847.1077 299.5673 13.0926 32.7672 762196.6217 -12.2576 -12.3968 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2200000 -347.834 -151.989 -73.3093 -151.99 -119.993 145.62 -73.3092 145.62 -323.109 GPRESSURE: 2200000 -275.575 -129.257 -120.078 -207.382 -65.1459 204.533 -12.4168 20.2767 -335.651 PRESSAVG: 2200000 50.6087 11.9852 -19.6707 11.9852 -65.4321 46.2032 -19.6707 46.2032 16.2772 GPRESSAVG: 2200000 49.6487 12.6233 -19.3655 11.3289 -63.8278 45.5343 -20.4184 45.7331 15.6673 TIMING: 2200000 CPU: 6942.37, 0.00331527/step Wall: 6942.37, 0.00331527/step, 2.57854 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2200000 4007.2870 20460.0237 14458.3928 261.7410 -203203.0861 2538.8055 0.0000 0.0000 52308.8364 -109167.9996 300.6196 -161476.8360 -108803.5808 299.7634 -263.6453 -225.4571 761934.1719 0.4846 0.4961 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 64.9322 -142.91 121.426 -142.91 -244.612 -151.979 121.426 -151.978 -81.1508 GPRESSURE: 2200200 104.099 -105.36 152.221 -117.984 -218.605 -123.442 146.867 -200.474 -46.761 PRESSAVG: 2200200 65.0514 -34.3557 -6.97712 -34.3557 -33.5037 -1.04782 -6.97707 -1.0479 -0.0432565 GPRESSAVG: 2200200 67.0343 -35.0152 -6.89921 -33.2506 -36.8005 -0.120861 -8.55676 -0.480013 1.33457 TIMING: 2200200 CPU: 6943.02, 0.00326094/step Wall: 6943.02, 0.00326094/step, 2.5361 hours remaining, 237.640625 MB of memory in use. ENERGY: 2200200 4014.2892 20204.7692 14492.0031 247.6181 -202967.7396 2398.4098 0.0000 0.0000 52414.6840 -109195.9662 301.2279 -161610.6502 -108838.6319 299.6809 -86.9435 -53.7556 761704.4094 10.5015 10.5228 LDB: ============= START OF LOAD BALANCING ============== 6955.43 LDB: ============== END OF LOAD BALANCING =============== 6955.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6955.43 LDB: ============= START OF LOAD BALANCING ============== 6955.75 LDB: Largest compute 7034 load 0.035722 is 18.2% of average load 0.195863 LDB: Average compute 0.004391 is 2.2% of average load 0.195863 LDB: TIME 6955.75 LOAD: AVG 0.195863 MAX 0.21993 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 6955.75 LOAD: AVG 0.195863 MAX 0.21993 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 6955.75 LOAD: AVG 0.195863 MAX 0.218586 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 6955.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6955.76 PRESSURE: 2200400 91.6735 -24.2472 -5.28964 -24.2469 -154.965 -26.1917 -5.28971 -26.1916 -712.824 GPRESSURE: 2200400 74.0672 -52.0918 -70.8012 -50.6095 -38.3818 5.74084 40.247 -80.4892 -740.389 PRESSAVG: 2200400 22.5154 -8.48579 8.184 -8.4857 -52.0489 -25.0714 8.184 -25.0714 -17.7445 GPRESSAVG: 2200400 21.3036 -9.16864 5.97543 -9.48784 -50.7357 -25.2924 9.71629 -27.2255 -17.9742 TIMING: 2200400 CPU: 6943.68, 0.00325426/step Wall: 6943.68, 0.00325426/step, 2.53073 hours remaining, 238.671875 MB of memory in use. ENERGY: 2200400 4058.0125 20357.4861 14449.1893 253.3385 -203139.8132 2403.1788 0.0000 0.0000 52511.9356 -109106.6724 301.7868 -161618.6079 -108748.2440 300.0068 -258.7053 -234.9010 762251.4712 -15.7593 -15.8021 PRESSURE: 2200600 241.394 26.8768 -159.395 26.8776 490.487 145.237 -159.396 145.236 320.241 GPRESSURE: 2200600 247.83 59.0593 -87.003 -21.8823 582.283 143.884 -60.102 -12.1408 313.453 PRESSAVG: 2200600 34.4801 -8.18947 -23.7009 -8.18943 -48.6989 -31.9855 -23.7009 -31.9855 37.8453 GPRESSAVG: 2200600 34.1739 -5.63212 -22.6343 -9.77929 -49.3097 -32.4869 -23.5237 -30.544 38.7985 TIMING: 2200600 CPU: 6944.31, 0.0031965/step Wall: 6944.31, 0.0031965/step, 2.48564 hours remaining, 238.671875 MB of memory in use. ENERGY: 2200600 4082.0332 20489.2315 14444.2360 244.5089 -203341.8753 2789.2263 0.0000 0.0000 52053.4600 -109239.1794 299.1520 -161292.6394 -108886.1793 300.1871 350.7073 381.1887 760566.1591 7.8755 7.8876 PRESSURE: 2200800 6.72206 -134.629 -43.7499 -134.63 -51.5974 -309.436 -43.7509 -309.435 94.8896 GPRESSURE: 2200800 -5.91204 -279.029 -79.4865 -80.1291 41.6318 -246.185 -79.5555 -217.415 98.2767 PRESSAVG: 2200800 -44.0861 -23.4107 -20.9672 -23.4107 13.0611 -35.6495 -20.9673 -35.6494 13.1004 GPRESSAVG: 2200800 -44.8398 -25.6419 -20.4215 -20.7748 14.158 -34.908 -21.0171 -35.5032 12.9581 TIMING: 2200800 CPU: 6944.96, 0.00321421/step Wall: 6944.96, 0.00321421/step, 2.49923 hours remaining, 238.671875 MB of memory in use. ENERGY: 2200800 3929.6586 20384.2157 14533.5140 245.0892 -203520.7316 2810.0527 0.0000 0.0000 52115.2999 -109502.9015 299.5073 -161618.2014 -109131.4707 299.4000 16.6714 44.6655 762040.8102 -5.9749 -5.9079 PRESSURE: 2201000 -373.226 -74.5407 101.237 -74.5407 84.3971 125.721 101.237 125.72 33.3068 GPRESSURE: 2201000 -254.995 -41.0913 28.6448 -222.42 82.8735 146.676 44.9053 82.9454 3.14895 PRESSAVG: 2201000 -33.1449 35.9561 -20.5843 35.9561 20.0629 23.8912 -20.5842 23.8911 0.107612 GPRESSAVG: 2201000 -31.9783 36.3441 -22.065 34.9339 20.4898 23.4245 -20.5247 23.9411 -1.64487 TIMING: 2201000 CPU: 6945.6, 0.00321564/step Wall: 6945.6, 0.00321564/step, 2.50016 hours remaining, 238.671875 MB of memory in use. ENERGY: 2201000 3978.2888 20353.6483 14430.8214 254.7611 -202915.2897 2323.5952 0.0000 0.0000 51934.3010 -109639.8739 298.4671 -161574.1750 -109275.2911 298.6282 -85.1740 -56.3241 762329.0251 -4.3248 -4.3778 PRESSURE: 2201200 -61.8608 -83.5029 19.7268 -83.5023 -146.937 -134.08 19.7278 -134.08 -32.7941 GPRESSURE: 2201200 -51.663 -123.765 19.5297 -113.196 -97.9606 -132.655 107.778 -22.1675 -36.4246 PRESSAVG: 2201200 -57.2062 -45.4667 -23.1735 -45.4667 47.1251 36.9384 -23.1735 36.9383 -9.48557 GPRESSAVG: 2201200 -57.5034 -47.4536 -23.4424 -44.3014 44.8823 37.3726 -22.6803 36.6353 -8.06863 TIMING: 2201200 CPU: 6946.24, 0.00321701/step Wall: 6946.24, 0.00321701/step, 2.50104 hours remaining, 238.671875 MB of memory in use. ENERGY: 2201200 3975.4652 20396.7205 14469.4155 229.3469 -203206.1556 2534.2767 0.0000 0.0000 52048.8755 -109552.0554 299.1256 -161600.9309 -109178.9367 298.6270 -80.5307 -62.0160 760730.8630 -6.5222 -6.8966 PRESSURE: 2201400 231.297 179.631 -85.5474 179.633 1.46421 -14.4234 -85.5475 -14.4239 398.866 GPRESSURE: 2201400 321.425 151.338 -37.1383 101.541 -37.9067 -101.507 -90.1897 -35.8063 431.804 PRESSAVG: 2201400 3.72727 -26.1238 -10.8587 -26.1239 41.0103 43.485 -10.8587 43.485 7.8704 GPRESSAVG: 2201400 3.22087 -23.2364 -11.2985 -27.5375 42.0306 43.0993 -11.6955 44.1329 7.84329 TIMING: 2201400 CPU: 6946.89, 0.00323359/step Wall: 6946.89, 0.00323359/step, 2.51376 hours remaining, 238.671875 MB of memory in use. ENERGY: 2201400 3971.4951 20323.9624 14497.1478 247.9916 -203259.6912 2628.6306 0.0000 0.0000 51983.4724 -109606.9914 298.7497 -161590.4638 -109251.7385 298.8168 210.5424 238.4408 760482.9877 17.5360 17.6982 PRESSURE: 2201600 -104.08 36.332 49.2026 36.3325 -41.8934 -237.816 49.2024 -237.816 14.9658 GPRESSURE: 2201600 77.878 71.6211 29.0631 -9.11964 -24.3036 -289.711 91.9149 -148.708 -78.959 PRESSAVG: 2201600 55.1304 -50.183 14.0195 -50.183 -56.366 3.44412 14.0195 3.44412 6.03655 GPRESSAVG: 2201600 55.7993 -51.0669 15.174 -49.9031 -57.3914 3.18591 15.6925 2.1319 6.42425 TIMING: 2201600 CPU: 6947.53, 0.00321215/step Wall: 6947.53, 0.00321214/step, 2.49691 hours remaining, 238.671875 MB of memory in use. ENERGY: 2201600 3994.9295 20366.4019 14507.3468 250.8296 -203549.2759 2632.2446 0.0000 0.0000 52263.4107 -109534.1127 300.3585 -161797.5234 -109166.6491 298.9873 -43.6692 -8.4615 759793.5921 1.6003 1.6107 PRESSURE: 2201800 94.7106 123.269 36.1224 123.27 3.79045 -147.129 36.1215 -147.129 62.3199 GPRESSURE: 2201800 88.6973 191.653 21.6306 65.7456 71.6549 -118 -29.7167 -178.97 63.77 PRESSAVG: 2201800 31.3665 0.528416 -50.8039 0.528431 -19.933 35.4765 -50.8038 35.4764 -10.7148 GPRESSAVG: 2201800 30.9529 0.942588 -49.3106 -0.0732726 -19.2138 36.1688 -52.5629 37.1618 -11.1652 TIMING: 2201800 CPU: 6948.17, 0.00319084/step Wall: 6948.17, 0.00319084/step, 2.48017 hours remaining, 238.671875 MB of memory in use. ENERGY: 2201800 4003.0492 20371.2868 14424.8842 246.6521 -203229.8043 2561.7251 0.0000 0.0000 52070.6929 -109551.5141 299.2510 -161622.2070 -109191.9545 299.1210 53.6070 74.7074 760606.4181 0.2396 0.1913 PRESSURE: 2202000 -11.5603 34.2557 -205.349 34.2558 -9.45001 -97.6372 -205.349 -97.6372 269.038 GPRESSURE: 2202000 49.376 21.2299 -261.469 50.4769 63.1711 -79.572 -123.9 -25.6673 218.368 PRESSAVG: 2202000 78.5679 10.7388 -6.69827 10.7388 -12.3148 41.8406 -6.69827 41.8405 31.351 GPRESSAVG: 2202000 77.9369 10.8665 -8.42302 11.1812 -11.4066 41.7353 -6.17139 41.0197 31.0016 TIMING: 2202000 CPU: 6948.81, 0.00319777/step Wall: 6948.81, 0.00319777/step, 2.48538 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2202000 3959.1502 20406.0777 14508.9850 243.8846 -203366.7245 2739.2925 0.0000 0.0000 51850.7704 -109658.5641 297.9871 -161509.3345 -109305.0175 298.8048 82.6760 110.3050 761141.8920 32.5347 32.5106 PRESSURE: 2202200 -102.277 -59.2919 -0.683401 -59.2934 -180.007 -20.063 -0.683445 -20.0629 157.01 GPRESSURE: 2202200 -11.9578 -4.07762 -27.5731 -137.43 -157.317 -30.8496 -50.6654 -58.7458 115.293 PRESSAVG: 2202200 12.683 5.01291 15.9659 5.01286 -3.79805 -1.27696 15.9659 -1.27694 37.3318 GPRESSAVG: 2202200 14.1789 6.06382 16.9522 4.15635 -5.42812 -1.98819 16.3957 -0.257185 37.4505 TIMING: 2202200 CPU: 6949.45, 0.00317182/step Wall: 6949.45, 0.00317182/step, 2.46503 hours remaining, 238.671875 MB of memory in use. ENERGY: 2202200 3935.7571 20591.2701 14530.6299 262.1804 -203062.0122 2328.0944 0.0000 0.0000 51977.5917 -109436.4886 298.7159 -161414.0803 -109075.8055 299.4003 -41.7580 -17.9940 760385.4803 15.4056 15.4004 PRESSURE: 2202400 365.339 -24.0886 108.968 -24.0869 14.5228 9.64861 108.967 9.64902 -122.004 GPRESSURE: 2202400 321.598 -83.9723 103.178 151.364 122.18 -34.2886 4.6131 -22.9595 -119.377 PRESSAVG: 2202400 -6.70995 -69.0772 -36.9825 -69.0772 34.3805 -17.0681 -36.9825 -17.0681 -8.92339 GPRESSAVG: 2202400 -7.22025 -69.3381 -37.2662 -68.0531 34.9915 -17.1147 -38.9774 -19.7262 -9.25261 TIMING: 2202400 CPU: 6950.08, 0.00318621/step Wall: 6950.08, 0.00318621/step, 2.47604 hours remaining, 238.671875 MB of memory in use. ENERGY: 2202400 4044.6149 20590.1579 14408.8673 244.1792 -203693.4592 2827.9813 0.0000 0.0000 51816.6094 -109761.0492 297.7908 -161577.6586 -109399.0205 298.6643 85.9526 108.1339 758817.5821 6.2490 6.1729 PRESSURE: 2202600 260.022 -22.8096 -219.606 -22.8097 1.81038 -4.6042 -219.606 -4.60349 -142.985 GPRESSURE: 2202600 241.744 -54.2516 -194.18 -51.2777 72.9722 -53.2006 -112.507 117.705 -100.397 PRESSAVG: 2202600 16.7231 3.02195 0.551691 3.02191 11.2867 29.1375 0.551722 29.1375 -12.0354 GPRESSAVG: 2202600 16.3193 1.40865 0.641714 4.6842 10.8072 30.3625 1.82989 30.0785 -11.2465 TIMING: 2202600 CPU: 6950.72, 0.00317234/step Wall: 6950.72, 0.00317234/step, 2.46508 hours remaining, 238.671875 MB of memory in use. ENERGY: 2202600 3983.8292 20587.0776 14481.3052 243.2310 -203130.0975 2457.6644 0.0000 0.0000 51718.1680 -109658.8221 297.2250 -161376.9901 -109305.4842 298.7574 39.6157 71.4395 760890.6335 5.3248 5.2933 PRESSURE: 2202800 62.0819 20.0728 -372.834 20.0731 -275.794 7.45068 -372.834 7.45165 221.491 GPRESSURE: 2202800 112.088 -86.8851 -336.399 15.962 -197.678 55.0748 -281.841 -51.0469 178.359 PRESSAVG: 2202800 -14.4109 20.1713 -17.3478 20.1712 -67.8006 -29.1316 -17.3478 -29.1316 20.2453 GPRESSAVG: 2202800 -15.2819 19.3498 -17.6129 17.4924 -66.1923 -29.3269 -16.9305 -29.3037 19.6914 TIMING: 2202800 CPU: 6951.35, 0.00317845/step Wall: 6951.35, 0.00317845/step, 2.46966 hours remaining, 238.671875 MB of memory in use. ENERGY: 2202800 4052.4886 20641.4083 14406.8633 234.6487 -203481.9635 2624.1182 0.0000 0.0000 51785.8305 -109736.6059 297.6139 -161522.4364 -109385.7691 299.0078 2.5928 30.9228 760337.2348 -20.6554 -20.5943 PRESSURE: 2203000 89.2847 -197.876 98.748 -197.876 428.043 54.7922 98.7484 54.7924 120.167 GPRESSURE: 2203000 167.371 -371.887 180.308 -151.732 436.232 66.1625 93.6021 170.114 135.668 PRESSAVG: 2203000 -8.88823 -65.1418 41.0807 -65.1419 4.34768 -10.223 41.0807 -10.2231 -5.84518 GPRESSAVG: 2203000 -7.99435 -65.0756 42.003 -63.5737 2.76424 -10.1876 41.3364 -9.64144 -4.67727 TIMING: 2203000 CPU: 6951.99, 0.00320207/step Wall: 6951.99, 0.00320208/step, 2.48783 hours remaining, 238.671875 MB of memory in use. ENERGY: 2203000 3991.9740 20402.7723 14400.5751 245.5223 -203456.9771 2511.4068 0.0000 0.0000 52324.5544 -109580.1722 300.7099 -161904.7266 -109222.6615 298.9077 212.4983 246.4237 759813.3442 -3.4619 -3.3025 PRESSURE: 2203200 -260.044 -332.18 48.5849 -332.18 -193.454 61.2144 48.586 61.2138 50.0982 GPRESSURE: 2203200 -251.364 -281.257 67.0894 -240.455 -152.994 87.1006 226.199 61.3406 94.2159 PRESSAVG: 2203200 70.161 -42.3409 11.9313 -42.3409 -58.1962 8.50778 11.9312 8.50781 -5.96994 GPRESSAVG: 2203200 69.774 -42.0548 11.8129 -42.9574 -58.0651 6.8 10.6277 8.82946 -5.86607 TIMING: 2203200 CPU: 6952.63, 0.00319195/step Wall: 6952.63, 0.00319195/step, 2.47979 hours remaining, 238.671875 MB of memory in use. ENERGY: 2203200 4017.7239 20414.9935 14412.4624 268.9033 -203043.9700 2354.6999 0.0000 0.0000 51873.0292 -109702.1578 298.1150 -161575.1870 -109343.6134 299.0066 -134.4666 -103.3807 761055.8339 1.9983 1.9476 PRESSURE: 2203400 -300.59 0.742232 -40.2987 0.741575 -364.741 11.5733 -40.2992 11.5741 229.636 GPRESSURE: 2203400 -330.118 69.1533 -106.906 -154.358 -234.246 36.3302 -166.362 6.80626 234.174 PRESSAVG: 2203400 16.4836 -28.8009 -35.9475 -28.8009 -18.9675 -21.5345 -35.9475 -21.5346 14.4638 GPRESSAVG: 2203400 16.8091 -26.7174 -38.1314 -27.8179 -19.4901 -18.2195 -35.1606 -22.2402 14.7785 TIMING: 2203400 CPU: 6953.27, 0.00318021/step Wall: 6953.27, 0.00318021/step, 2.47049 hours remaining, 238.671875 MB of memory in use. ENERGY: 2203400 3985.5809 20375.8701 14454.4785 240.5312 -203312.4970 2393.2048 0.0000 0.0000 52360.0752 -109502.7563 300.9141 -161862.8315 -109127.2073 299.1218 -145.2315 -110.0636 761470.1605 3.9933 4.0325 PRESSURE: 2203600 -199.776 -72.6955 1.53548 -72.6961 203.173 -10.5202 1.5361 -10.5203 -85.5139 GPRESSURE: 2203600 -104.841 -111.274 -66.3347 -169.45 232.944 -99.1095 -4.40452 -54.4411 -134.041 PRESSAVG: 2203600 23.3828 -56.9904 -20.5667 -56.9904 -16.2895 -30.606 -20.5668 -30.6061 -6.48998 GPRESSAVG: 2203600 23.1735 -59.6344 -19.6082 -58.3248 -15.3454 -32.2068 -19.9221 -29.3475 -7.57801 TIMING: 2203600 CPU: 6953.91, 0.00320729/step Wall: 6953.91, 0.00320729/step, 2.49135 hours remaining, 238.671875 MB of memory in use. ENERGY: 2203600 3878.3874 20419.0270 14483.0272 238.0065 -203060.3671 2449.9598 0.0000 0.0000 51965.2011 -109626.7580 298.6447 -161591.9591 -109271.8395 298.8891 -27.3724 -1.9793 761716.9586 0.2011 0.0833 PRESSURE: 2203800 238.64 -103.27 -47.4631 -103.27 48.1714 218.895 -47.4632 218.894 416.586 GPRESSURE: 2203800 265.175 -126.413 91.6373 -6.54537 115.688 209.078 23.4906 159.408 416.479 PRESSAVG: 2203800 -22.3199 -30.9731 -1.44195 -30.9731 34.9101 44.0046 -1.442 44.0046 2.31214 GPRESSAVG: 2203800 -23.2321 -31.4484 0.219498 -29.5313 35.0953 43.6862 -1.84296 42.6101 2.93073 TIMING: 2203800 CPU: 6954.55, 0.00320752/step Wall: 6954.55, 0.00320752/step, 2.49135 hours remaining, 238.671875 MB of memory in use. ENERGY: 2203800 3968.9403 20543.3984 14493.9062 256.9664 -203745.7869 3033.3916 0.0000 0.0000 52038.9835 -109410.2006 299.0688 -161449.1841 -109058.2562 299.1583 234.4659 265.7810 760616.0833 4.9674 4.9313 PRESSURE: 2204000 -117.038 65.513 186.498 65.5139 109.839 200.123 186.498 200.123 6.65042 GPRESSURE: 2204000 -135.889 27.6549 191.187 49.4784 183.976 113.437 184.057 103.93 43.334 PRESSAVG: 2204000 -63.1143 -13.121 -30.5657 -13.121 43.1799 -14.7031 -30.5656 -14.703 28.1429 GPRESSAVG: 2204000 -62.2539 -11.7209 -31.6065 -12.9358 43.4693 -14.5719 -29.0233 -14.6699 27.5051 TIMING: 2204000 CPU: 6955.19, 0.00320134/step Wall: 6955.19, 0.00320134/step, 2.48638 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2204000 3896.9927 20483.8432 14458.0154 270.8145 -203234.7642 2518.4784 0.0000 0.0000 52056.8970 -109549.7231 299.1717 -161606.6200 -109192.0717 298.6445 -0.1829 30.4737 761031.7929 2.7362 2.9068 PRESSURE: 2204200 -157.286 -170.281 -109.934 -170.281 -27.4469 -20.4991 -109.934 -20.4992 -144.989 GPRESSURE: 2204200 -69.513 -88.9008 -150.949 -50.1882 -143.785 -14.0798 -264.169 -79.9013 -21.0791 PRESSAVG: 2204200 -9.88769 -30.3504 -13.3502 -30.3504 14.1934 -0.0483642 -13.3502 -0.0483941 12.6481 GPRESSAVG: 2204200 -9.34199 -30.457 -12.6554 -30.1263 13.988 0.295335 -15.6065 0.159721 12.6524 TIMING: 2204200 CPU: 6955.84, 0.00322639/step Wall: 6955.84, 0.00322639/step, 2.50565 hours remaining, 238.671875 MB of memory in use. ENERGY: 2204200 3958.6200 20542.3460 14523.4043 247.5788 -203556.9487 2644.4923 0.0000 0.0000 51877.2330 -109763.2743 298.1392 -161640.5073 -109405.6720 298.9016 -109.9076 -78.1256 759708.5666 5.6513 5.7661 LDB: ============= START OF LOAD BALANCING ============== 6968.24 LDB: ============== END OF LOAD BALANCING =============== 6968.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6968.25 LDB: ============= START OF LOAD BALANCING ============== 6968.57 LDB: Largest compute 7025 load 0.035658 is 18.2% of average load 0.195908 LDB: Average compute 0.004382 is 2.2% of average load 0.195908 LDB: TIME 6968.57 LOAD: AVG 0.195908 MAX 0.214828 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.855 MB LDB: TIME 6968.57 LOAD: AVG 0.195908 MAX 0.214828 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.855 MB LDB: TIME 6968.57 LOAD: AVG 0.195908 MAX 0.214828 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.855 MB LDB: ============== END OF LOAD BALANCING =============== 6968.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6968.58 PRESSURE: 2204400 515.926 -24.4138 -96.075 -24.4142 306.574 360.326 -96.0748 360.326 526.465 GPRESSURE: 2204400 550.026 16.0594 -110.73 -34.1404 348.688 253.304 -63.4627 373.715 521.087 PRESSAVG: 2204400 8.31599 -73.7352 -34.1428 -73.7352 -32.308 -14.9622 -34.1427 -14.9621 8.27141 GPRESSAVG: 2204400 7.31023 -73.3219 -33.3958 -74.5542 -31.9205 -14.4482 -33.1905 -16.9179 8.53028 TIMING: 2204400 CPU: 6956.5, 0.00330173/step Wall: 6956.5, 0.00330173/step, 2.56398 hours remaining, 238.921875 MB of memory in use. ENERGY: 2204400 3961.0680 20331.0680 14394.9222 232.3530 -203489.9817 2749.8829 0.0000 0.0000 52026.1554 -109794.5323 298.9950 -161820.6877 -109428.1384 298.4890 449.6552 473.2666 760885.7986 -5.2402 -5.3600 PRESSURE: 2204600 26.0656 -178.647 97.7154 -178.646 -4.92691 113.169 97.7156 113.169 55.5465 GPRESSURE: 2204600 29.3353 -187.315 73.9369 -265.197 47.5084 61.4141 50.3727 131.339 80.3356 PRESSAVG: 2204600 22.5902 -42.5124 -33.5271 -42.5123 -38.4766 -5.30956 -33.5272 -5.30958 18.4695 GPRESSAVG: 2204600 22.2661 -43.6512 -34.5201 -41.9644 -38.5204 -5.97576 -33.373 -4.77368 19.0864 TIMING: 2204600 CPU: 6957.14, 0.00320072/step Wall: 6957.14, 0.00320072/step, 2.48536 hours remaining, 239.125000 MB of memory in use. ENERGY: 2204600 3921.0488 20412.4727 14427.9955 254.3332 -203584.6268 2633.2907 0.0000 0.0000 52207.2631 -109728.2227 300.0359 -161935.4859 -109372.6412 298.8084 25.5617 52.3931 761579.0392 0.8610 0.9441 PRESSURE: 2204800 -164.36 -7.10837 110.385 -7.10806 318.455 41.0056 110.385 41.0044 -112.589 GPRESSURE: 2204800 -87.9041 -87.3274 218.718 -69.6103 288.746 -20.0065 45.1308 98.6127 -82.1803 PRESSAVG: 2204800 -30.2031 -47.1655 -0.845766 -47.1655 -2.14721 -2.48064 -0.845797 -2.48073 -6.14686 GPRESSAVG: 2204800 -28.1212 -45.5369 0.644813 -48.2144 -3.61672 -1.56731 -1.09574 -2.38358 -6.85097 TIMING: 2204800 CPU: 6957.77, 0.0031797/step Wall: 6957.77, 0.00317971/step, 2.46886 hours remaining, 239.125000 MB of memory in use. ENERGY: 2204800 3917.2622 20457.1728 14433.6280 259.8390 -203277.8865 2447.4692 0.0000 0.0000 51966.7979 -109795.7176 298.6539 -161762.5154 -109439.5997 298.3743 13.8350 39.5539 760975.0993 -12.8324 -12.8630 PRESSURE: 2205000 -111.916 -151.889 79.7676 -151.888 -147.463 66.5593 79.7675 66.5589 -122.366 GPRESSURE: 2205000 -137.003 -148.299 95.0463 -176.767 -122.633 44.2356 -21.5836 86.2322 -23.9415 PRESSAVG: 2205000 -15.0078 -5.42221 -49.261 -5.42222 68.6294 79.3121 -49.2609 79.3121 2.03665 GPRESSAVG: 2205000 -15.7432 -6.51039 -49.0626 -5.04152 69.6146 77.7939 -49.8583 81.5298 2.00594 TIMING: 2205000 CPU: 6958.41, 0.00317609/step Wall: 6958.41, 0.00317609/step, 2.46588 hours remaining, 239.125000 MB of memory in use. ENERGY: 2205000 3930.6929 20608.5671 14449.3266 243.0493 -203322.0288 2368.5723 0.0000 0.0000 51979.4027 -109742.4177 298.7263 -161721.8205 -109387.4048 298.7700 -127.2484 -94.5259 761461.5164 18.5528 18.6258 PRESSURE: 2205200 -183.054 8.37836 22.6388 8.37731 -260.424 180.945 22.6392 180.944 96.9235 GPRESSURE: 2205200 -107.398 0.936536 29.4467 68.315 -207.519 147.447 -55.8406 39.9151 51.51 PRESSAVG: 2205200 -36.598 -61.9953 -17.4562 -61.9954 80.5055 42.3919 -17.4562 42.3919 2.20828 GPRESSAVG: 2205200 -36.2597 -62.5583 -18.1209 -62.3634 80.1606 42.2276 -17.2411 39.59 2.01405 TIMING: 2205200 CPU: 6959.05, 0.00323158/step Wall: 6959.05, 0.00323158/step, 2.50878 hours remaining, 239.125000 MB of memory in use. ENERGY: 2205200 3988.5876 20329.4509 14474.2934 237.8276 -203555.3027 2614.1546 0.0000 0.0000 52168.4249 -109742.5637 299.8127 -161910.9886 -109371.2938 299.0051 -115.5184 -87.8024 762314.5661 15.3719 15.3050 PRESSURE: 2205400 -379.598 -76.6466 61.134 -76.6458 104.105 53.7527 61.134 53.7519 -148.082 GPRESSURE: 2205400 -315.087 -24.7498 -16.9936 -90.1512 115.916 103.132 104.557 34.0991 -149.255 PRESSAVG: 2205400 -38.6409 -19.2261 -31.8811 -19.2261 6.96077 -43.8236 -31.8811 -43.8236 -0.238527 GPRESSAVG: 2205400 -40.3416 -18.4035 -31.9826 -19.5124 8.36227 -44.6534 -31.9258 -40.483 -0.0144691 TIMING: 2205400 CPU: 6959.69, 0.00318585/step Wall: 6959.69, 0.00318585/step, 2.4731 hours remaining, 239.125000 MB of memory in use. ENERGY: 2205400 3928.7156 20421.8065 14552.7725 239.6738 -203087.7164 2267.0408 0.0000 0.0000 52002.5593 -109675.1479 298.8594 -161677.7071 -109313.7474 298.3311 -141.1912 -116.1417 762648.9232 -10.6396 -10.6646 PRESSURE: 2205600 29.9148 -2.03143 -25.7328 -2.03236 -425.859 37.5177 -25.7321 37.5173 -513.502 GPRESSURE: 2205600 37.281 -109.163 28.3561 -93.1849 -374.134 -30.5045 35.4335 -10.6786 -493.198 PRESSAVG: 2205600 34.2568 -31.2192 33.9838 -31.2191 -14.671 66.0616 33.9838 66.0617 11.9107 GPRESSAVG: 2205600 35.5414 -31.3068 35.2446 -32.1683 -15.5479 67.0894 34.4334 64.9513 11.6519 TIMING: 2205600 CPU: 6960.33, 0.00318267/step Wall: 6960.33, 0.00318267/step, 2.47046 hours remaining, 239.125000 MB of memory in use. ENERGY: 2205600 3894.8434 20286.2600 14458.2238 252.1702 -202901.7213 2398.4304 0.0000 0.0000 51799.8932 -109811.9003 297.6947 -161611.7935 -109453.5486 298.4678 -303.1486 -276.6836 762148.2973 10.4988 10.5485 PRESSURE: 2205800 165.325 60.4421 -20.6209 60.4431 -88.7951 79.0938 -20.6215 79.0922 261.365 GPRESSURE: 2205800 88.4071 0.390498 4.66773 289.334 35.1862 29.1 -58.3071 184.768 299.763 PRESSAVG: 2205800 47.6255 -9.81527 30.2 -9.81539 -46.5202 -9.41149 30.2 -9.4115 -16.0379 GPRESSAVG: 2205800 46.3606 -8.88451 31.0105 -8.84813 -46.8125 -9.25599 29.0446 -9.93369 -14.5415 TIMING: 2205800 CPU: 6960.96, 0.00318578/step Wall: 6960.96, 0.00318578/step, 2.4727 hours remaining, 239.125000 MB of memory in use. ENERGY: 2205800 3959.7329 20436.7120 14496.7063 239.7755 -203446.0001 2660.2023 0.0000 0.0000 51906.6874 -109746.1837 298.3084 -161652.8711 -109388.9445 297.9541 112.6317 141.1188 761094.9002 -4.9775 -4.9978 PRESSURE: 2206000 -3.30408 -74.0983 115.665 -74.0977 -83.9886 -22.855 115.665 -22.8548 186.435 GPRESSURE: 2206000 0.814595 -178.367 28.7691 24.8705 -53.6806 -7.9117 162.665 -0.343245 242.552 PRESSAVG: 2206000 65.0303 0.461668 -19.1117 0.461603 -22.8435 68.83 -19.1117 68.8299 -4.19512 GPRESSAVG: 2206000 65.9667 1.5274 -20.7233 1.45985 -21.91 69.4415 -19.4494 67.7736 -5.75913 TIMING: 2206000 CPU: 6961.6, 0.00317469/step Wall: 6961.6, 0.00317469/step, 2.46391 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2206000 3994.3271 20490.1102 14446.6556 249.2981 -203423.5003 2581.4205 0.0000 0.0000 52022.3905 -109639.2984 298.9734 -161661.6888 -109289.0445 298.7952 33.0474 63.2286 761680.0931 12.6639 12.7659 PRESSURE: 2206200 291.049 59.2499 29.0692 59.2509 24.1985 -264.224 29.0691 -264.224 -114.48 GPRESSURE: 2206200 331.758 -16.345 -28.213 27.0342 65.3848 -225.805 -7.88105 -139.38 -116.279 PRESSAVG: 2206200 3.26481 17.5004 -10.6297 17.5004 11.9506 16.86 -10.6297 16.8601 -8.8475 GPRESSAVG: 2206200 2.66481 14.9122 -10.871 16.3096 13.1492 16.2582 -9.00861 17.0716 -9.18732 TIMING: 2206200 CPU: 6962.23, 0.00317446/step Wall: 6962.23, 0.00317446/step, 2.46356 hours remaining, 239.125000 MB of memory in use. ENERGY: 2206200 3896.5207 20616.6943 14330.5830 254.7630 -203297.0650 2621.6486 0.0000 0.0000 51931.0585 -109645.7969 298.4485 -161576.8554 -109291.4044 298.9798 66.9224 93.6210 761660.2935 2.1226 2.2089 PRESSURE: 2206400 -358.929 -193.681 342.806 -193.682 351.449 -59.8178 342.806 -59.8181 -180.076 GPRESSURE: 2206400 -327.348 -180.493 303.794 -57.4861 386.266 34.8586 320.415 -95.8938 -153.525 PRESSAVG: 2206400 -5.8651 -39.2301 -32.6325 -39.2301 -5.23241 0.425067 -32.6325 0.425057 -6.2326 GPRESSAVG: 2206400 -4.33356 -36.9922 -32.7479 -39.4475 -7.65911 -0.64336 -32.4997 2.54726 -5.61289 TIMING: 2206400 CPU: 6962.87, 0.00316746/step Wall: 6962.87, 0.00316746/step, 2.45795 hours remaining, 239.125000 MB of memory in use. ENERGY: 2206400 4003.8443 20350.6684 14442.4599 248.5897 -203167.5192 2301.3717 0.0000 0.0000 51833.7284 -109986.8568 297.8891 -161820.5852 -109613.6961 298.9925 -62.5185 -31.5356 760990.0346 -5.7767 -5.8685 PRESSURE: 2206600 -241.102 -125.613 -86.0972 -125.614 -101.042 224.396 -86.096 224.396 -213.021 GPRESSURE: 2206600 -133.834 -71.7897 -90.751 -221.32 -56.0865 275.453 -95.3513 298.462 -246.392 PRESSAVG: 2206600 -8.17293 -60.7621 42.2018 -60.7621 -6.17923 -38.7283 42.2017 -38.7283 27.408 GPRESSAVG: 2206600 -8.38245 -60.0392 42.5756 -60.1339 -4.94942 -36.7995 41.7572 -40.0608 26.6334 TIMING: 2206600 CPU: 6963.5, 0.00318198/step Wall: 6963.5, 0.00318198/step, 2.46904 hours remaining, 239.125000 MB of memory in use. ENERGY: 2206600 3935.9903 20251.1389 14373.3264 255.6077 -203548.9571 2639.7105 0.0000 0.0000 51996.5526 -110096.6307 298.8249 -162093.1833 -109727.5432 298.6195 -185.0551 -145.4373 761452.3270 4.3520 4.4339 PRESSURE: 2206800 5.62036 70.8178 12.9007 70.8179 388.878 -113.703 12.9005 -113.703 -86.4416 GPRESSURE: 2206800 24.5879 56.0486 -86.4251 48.2279 393.513 -107.974 24.8254 -69.958 -43.2033 PRESSAVG: 2206800 -21.7356 3.99815 -6.41814 3.99814 -1.05908 -14.0097 -6.4182 -14.0096 -11.4663 GPRESSAVG: 2206800 -20.6705 2.22973 -5.8824 4.28524 -2.6918 -14.0447 -7.40197 -15.1867 -11.4511 TIMING: 2206800 CPU: 6964.14, 0.00317701/step Wall: 6964.14, 0.00317701/step, 2.46501 hours remaining, 239.125000 MB of memory in use. ENERGY: 2206800 3954.2577 20378.8818 14436.6785 228.2527 -203446.4851 2620.4412 0.0000 0.0000 52093.7619 -109734.2113 299.3836 -161827.9732 -109379.8354 298.4483 102.6855 124.9659 760157.0775 -11.4203 -11.6045 PRESSURE: 2207000 435.631 133.33 66.0297 133.329 207.324 -52.3511 66.0304 -52.352 376.942 GPRESSURE: 2207000 414.441 206.644 43.993 120.881 231.596 -44.8398 79.7154 -72.6835 439.371 PRESSAVG: 2207000 10.6465 -23.0856 -29.6927 -23.0855 -35.1235 0.289126 -29.6927 0.289056 6.48731 GPRESSAVG: 2207000 8.46633 -22.9708 -30.0729 -21.7689 -33.5715 0.00325195 -28.8044 -0.518847 6.64996 TIMING: 2207000 CPU: 6964.78, 0.00322164/step Wall: 6964.78, 0.00322164/step, 2.49946 hours remaining, 239.125000 MB of memory in use. ENERGY: 2207000 3940.8164 20569.5161 14493.1897 254.4920 -203802.6611 2993.3233 0.0000 0.0000 51838.7897 -109712.5339 297.9182 -161551.3235 -109355.8231 298.6303 339.9655 361.8026 760499.2556 -5.9966 -6.1517 PRESSURE: 2207200 -81.186 -134.88 56.8907 -134.879 -95.0741 -66.4688 56.8915 -66.4683 157.518 GPRESSURE: 2207200 -25.3426 -70.8097 44.6935 -105.633 -69.2803 14.5652 60.5957 -30.5232 154.564 PRESSAVG: 2207200 -84.4346 7.87504 39.0358 7.8751 57.6382 35.3871 39.0358 35.3871 7.94877 GPRESSAVG: 2207200 -84.0313 10.2802 39.5545 4.57715 56.1831 36.1598 40.1939 37.2639 8.95846 TIMING: 2207200 CPU: 6965.43, 0.003213/step Wall: 6965.43, 0.003213/step, 2.49257 hours remaining, 239.125000 MB of memory in use. ENERGY: 2207200 4000.5994 20331.6052 14496.8653 255.6678 -203759.6622 2689.9376 0.0000 0.0000 51977.0925 -110007.8943 298.7131 -161984.9868 -109638.7624 298.5573 -6.2473 19.9804 759485.1739 -6.2825 -6.2966 PRESSURE: 2207400 357.563 -97.2958 -293.291 -97.2963 -211.484 -46.0838 -293.291 -46.0841 131.698 GPRESSURE: 2207400 377.312 -205.645 -249.148 -91.0896 -150.733 -54.1002 -161.918 -242.402 139.8 PRESSAVG: 2207400 -17.5965 -19.8758 4.79853 -19.8758 26.8575 34.7611 4.79849 34.7611 -8.37025 GPRESSAVG: 2207400 -17.3307 -21.6862 5.71216 -19.4721 28.158 33.6306 4.81076 34.8935 -10.2401 TIMING: 2207400 CPU: 6966.07, 0.00321524/step Wall: 6966.07, 0.00321524/step, 2.49413 hours remaining, 239.125000 MB of memory in use. ENERGY: 2207400 3972.7455 20318.3562 14510.9915 240.3248 -203898.5201 3001.4217 0.0000 0.0000 52002.7473 -109851.9329 298.8605 -161854.6802 -109493.6541 298.8150 92.5922 122.1261 758941.5356 0.2969 0.1957 PRESSURE: 2207600 16.8834 93.6611 -38.6917 93.661 -88.9971 -33.1362 -38.691 -33.1363 -136.45 GPRESSURE: 2207600 -29.2897 194.459 -0.836441 7.51176 14.8372 56.1493 -2.66473 21.1461 -84.2877 PRESSAVG: 2207600 -59.1451 -34.0406 1.35845 -34.0407 26.0553 44.601 1.35841 44.6011 2.16543 GPRESSAVG: 2207600 -59.2673 -32.7971 -0.30647 -33.0633 24.953 45.7404 0.855865 44.7681 4.14739 TIMING: 2207600 CPU: 6966.71, 0.00319682/step Wall: 6966.71, 0.00319682/step, 2.47967 hours remaining, 239.125000 MB of memory in use. ENERGY: 2207600 3984.3643 20656.0957 14418.9369 242.0539 -203501.7585 2504.3598 0.0000 0.0000 51857.5501 -109838.3978 298.0261 -161695.9479 -109480.6838 298.6143 -69.5214 -32.9134 759960.1379 -10.3081 -10.0557 PRESSURE: 2207800 12.6243 -118.839 -214.591 -118.84 -75.2735 -148.143 -214.59 -148.144 117.411 GPRESSURE: 2207800 87.7309 -52.0539 -260.973 -197.836 -8.87365 -199.328 -277.196 -159.68 30.4055 PRESSAVG: 2207800 26.8648 -5.50835 -42.5922 -5.5083 11.1526 23.4532 -42.5922 23.4531 2.42368 GPRESSAVG: 2207800 26.4726 -6.88955 -41.29 -5.71947 12.5904 22.5658 -44.2389 21.5253 1.68418 TIMING: 2207800 CPU: 6967.35, 0.00322943/step Wall: 6967.35, 0.00322943/step, 2.50478 hours remaining, 239.125000 MB of memory in use. ENERGY: 2207800 3915.5283 20629.3699 14520.6075 239.2169 -203593.6342 2472.9788 0.0000 0.0000 52060.1583 -109755.7745 299.1904 -161815.9328 -109399.7549 299.1066 18.2540 36.4209 760014.9993 13.4804 13.5824 PRESSURE: 2208000 -141.506 14.1781 -157.968 14.1781 -303.784 171.777 -157.968 171.777 -81.4705 GPRESSURE: 2208000 -102.022 60.6505 -160.714 13.2514 -250.517 123.48 -121.204 40.607 -112.306 PRESSAVG: 2208000 -6.27431 -24.4832 -36.6074 -24.4832 24.8817 13.6492 -36.6073 13.6492 6.69794 GPRESSAVG: 2208000 -5.70547 -22.722 -37.3924 -25.0859 23.2309 14.4204 -36.3002 13.1851 7.55833 TIMING: 2208000 CPU: 6968, 0.00320491/step Wall: 6968, 0.00320491/step, 2.48559 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2208000 4019.3503 20532.0476 14583.1337 247.5672 -203389.7905 2511.9925 0.0000 0.0000 51914.0946 -109581.6047 298.3510 -161495.6992 -109216.6793 298.9647 -175.5869 -154.9483 762228.7145 8.4351 8.3613 PRESSURE: 2208200 -456.029 -130.499 354.46 -130.499 -144.151 -104.66 354.459 -104.66 -5.82418 GPRESSURE: 2208200 -351.92 -170.426 340.968 -161.763 -138.091 -95.0226 360.757 -106.037 2.06724 PRESSAVG: 2208200 -30.8504 20.7996 59.9989 20.7996 2.33535 -16.9512 59.9988 -16.9512 -4.45318 GPRESSAVG: 2208200 -31.3589 20.4654 60.4948 21.4549 3.71708 -17.6012 61.0958 -14.2133 -4.43818 TIMING: 2208200 CPU: 6968.65, 0.00324846/step Wall: 6968.65, 0.00324846/step, 2.51918 hours remaining, 239.125000 MB of memory in use. ENERGY: 2208200 3989.1366 20499.6339 14503.6331 232.5910 -203501.2006 2426.1182 0.0000 0.0000 52133.5966 -109716.4911 299.6125 -161850.0877 -109367.6815 298.9705 -202.0014 -162.6481 760159.2853 -10.9894 -10.6933 LDB: ============= START OF LOAD BALANCING ============== 6981.05 LDB: ============== END OF LOAD BALANCING =============== 6981.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6981.05 LDB: ============= START OF LOAD BALANCING ============== 6981.37 LDB: Largest compute 7075 load 0.034069 is 17.4% of average load 0.195924 LDB: Average compute 0.004384 is 2.2% of average load 0.195924 LDB: TIME 6981.37 LOAD: AVG 0.195924 MAX 0.21607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.766 MB LDB: TIME 6981.37 LOAD: AVG 0.195924 MAX 0.21607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.77 MB LDB: TIME 6981.37 LOAD: AVG 0.195924 MAX 0.21607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.77 MB LDB: ============== END OF LOAD BALANCING =============== 6981.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6981.38 PRESSURE: 2208400 96.0198 114.994 -58.7249 114.993 118.469 266.49 -58.7246 266.489 281.787 GPRESSURE: 2208400 88.6992 166.555 -107.951 138.655 210.629 311.594 -24.4751 225.241 278.61 PRESSAVG: 2208400 0.49758 -1.26609 13.4807 -1.26606 -5.07103 27.7544 13.4807 27.7544 -6.15687 GPRESSAVG: 2208400 0.991762 -3.06538 13.204 -1.29375 -5.53427 27.5785 11.7471 26.8731 -6.56348 TIMING: 2208400 CPU: 6969.29, 0.00324016/step Wall: 6969.29, 0.00324016/step, 2.51256 hours remaining, 240.011719 MB of memory in use. ENERGY: 2208400 4059.4706 20577.9064 14513.2835 255.8130 -203580.9234 2857.4712 0.0000 0.0000 51818.5122 -109498.4665 297.8017 -161316.9787 -109138.8366 299.6209 165.4250 192.6461 759015.5332 -3.5768 -3.7020 PRESSURE: 2208600 -81.36 248.008 109.247 248.008 -260.319 -89.8718 109.248 -89.8721 142.098 GPRESSURE: 2208600 -57.8104 132.187 126.365 319.648 -212.516 -56.972 -17.6353 -55.5395 139.409 PRESSAVG: 2208600 5.30743 -10.0716 9.90017 -10.0716 -15.9772 61.1921 9.90014 61.1921 22.0321 GPRESSAVG: 2208600 5.57203 -10.077 9.70571 -9.87363 -16.9679 60.6675 9.65693 60.9403 22.7023 TIMING: 2208600 CPU: 6969.94, 0.00321437/step Wall: 6969.94, 0.00321437/step, 2.49239 hours remaining, 240.011719 MB of memory in use. ENERGY: 2208600 3983.6402 20617.9568 14457.8837 264.9409 -203501.0996 2823.3116 0.0000 0.0000 51953.0232 -109400.3432 298.5747 -161353.3664 -109046.2103 300.2056 -66.5271 -43.6391 762248.9953 3.7874 3.7688 PRESSURE: 2208800 -178.137 105.892 -58.4301 105.892 79.7477 -17.0192 -58.4306 -17.019 117.096 GPRESSURE: 2208800 -123.739 2.56482 -21.9042 118.644 117.162 109.272 -65.8812 -83.6113 99.253 PRESSAVG: 2208800 19.5444 17.9523 -8.09138 17.9523 -19.022 33.53 -8.0914 33.53 -7.82916 GPRESSAVG: 2208800 19.4581 16.203 -8.08733 19.9929 -18.6246 33.1684 -5.59243 32.7193 -7.54291 TIMING: 2208800 CPU: 6970.58, 0.00321234/step Wall: 6970.58, 0.00321234/step, 2.49064 hours remaining, 240.011719 MB of memory in use. ENERGY: 2208800 4005.3727 20566.6239 14517.3767 264.1709 -203919.2028 2698.0932 0.0000 0.0000 52379.0307 -109488.5347 301.0230 -161867.5654 -109131.7628 299.3795 6.2356 30.8920 760954.9173 -2.4356 -2.2365 PRESSURE: 2209000 146.526 43.0492 -179.851 43.0485 -325.222 178.495 -179.851 178.495 -531.507 GPRESSURE: 2209000 211.778 106.033 -105.851 -23.4824 -279.748 130.898 -90.1243 284.843 -554.211 PRESSAVG: 2209000 20.5163 53.4306 -11.1209 53.4305 -14.0579 -21.4242 -11.1208 -21.4242 15.9271 GPRESSAVG: 2209000 20.5924 55.8683 -11.8164 51.1781 -14.0842 -19.6097 -14.4399 -20.3395 16.1351 TIMING: 2209000 CPU: 6971.23, 0.00323057/step Wall: 6971.23, 0.00323057/step, 2.50459 hours remaining, 240.011719 MB of memory in use. ENERGY: 2209000 3984.9596 20447.8756 14479.8177 254.2985 -203197.9371 2480.1708 0.0000 0.0000 52201.3511 -109349.4637 300.0019 -161550.8148 -108985.1320 299.5636 -236.7343 -207.3938 761667.4442 7.4618 7.5478 PRESSURE: 2209200 -184.633 -101.959 -2.58435 -101.959 174.704 -163.392 -2.585 -163.392 252.866 GPRESSURE: 2209200 -112.227 -56.3575 -71.5798 -131.448 202.098 -160.7 88.4623 -292.157 240.001 PRESSAVG: 2209200 -23.8136 32.0765 -10.1115 32.0765 -19.4142 12.2629 -10.1115 12.2629 -0.589052 GPRESSAVG: 2209200 -24.6135 30.0208 -8.85264 32.5008 -17.8856 11.7485 -9.48185 11.2537 -1.32436 TIMING: 2209200 CPU: 6971.88, 0.00325316/step Wall: 6971.88, 0.00325316/step, 2.52192 hours remaining, 240.011719 MB of memory in use. ENERGY: 2209200 3886.6194 20615.7358 14519.5346 240.5863 -203345.2530 2643.6780 0.0000 0.0000 52088.6891 -109350.4099 299.3544 -161439.0990 -108985.9338 299.7307 80.9789 109.9573 762093.7637 -14.6056 -14.6078 PRESSURE: 2209400 -133.208 171.171 89.9953 171.171 -90.8101 15.894 89.9958 15.8942 144.171 GPRESSURE: 2209400 -97.114 155.591 59.2228 109.583 -140.118 -23.7592 -15.7977 160.164 231.005 PRESSAVG: 2209400 -22.6667 -18.4091 35.6834 -18.409 16.3662 6.46209 35.6834 6.4621 10.8302 GPRESSAVG: 2209400 -21.3996 -16.8079 35.3549 -18.1195 14.549 5.77191 32.9892 9.36624 11.3577 TIMING: 2209400 CPU: 6972.52, 0.00320376/step Wall: 6972.52, 0.00320376/step, 2.48345 hours remaining, 240.011719 MB of memory in use. ENERGY: 2209400 4050.6145 20492.4740 14428.5295 238.8866 -202876.0866 2198.6678 0.0000 0.0000 52120.0603 -109346.8539 299.5347 -161466.9142 -108983.7259 299.7356 -26.6158 -2.0757 760852.1947 1.5099 1.5024 PRESSURE: 2209600 -431.163 3.6394 159.788 3.63889 -180.998 61.8978 159.789 61.8976 -131.394 GPRESSURE: 2209600 -479.757 -53.4969 304.431 28.3844 -104.959 45.0863 109.914 12.5202 -84.6765 PRESSAVG: 2209600 -69.0606 4.68028 6.7887 4.68025 85.777 -18.9574 6.78865 -18.9574 14.4676 GPRESSAVG: 2209600 -69.0795 4.76883 8.64315 3.12163 85.3451 -17.4779 8.06681 -20.8631 14.527 TIMING: 2209600 CPU: 6973.15, 0.00316219/step Wall: 6973.15, 0.00316219/step, 2.45105 hours remaining, 240.011719 MB of memory in use. ENERGY: 2209600 3924.5721 20455.0259 14438.3394 231.3073 -203067.0437 2202.2878 0.0000 0.0000 52274.0184 -109541.4928 300.4195 -161815.5112 -109162.1277 299.6276 -247.8517 -223.1310 762461.5463 10.3947 10.2642 PRESSURE: 2209800 -185.1 101.354 93.5168 101.354 -118.256 -112.099 93.5166 -112.099 -93.7238 GPRESSURE: 2209800 -205.647 88.5527 86.7067 123.032 -74.3782 -80.7877 -5.89444 -121.427 -33.352 PRESSAVG: 2209800 -30.3602 -26.1568 8.40145 -26.1568 47.3914 -28.6326 8.40151 -28.6326 -10.4761 GPRESSAVG: 2209800 -31.2346 -24.7378 6.67937 -24.5493 48.1481 -29.3409 9.17068 -27.8736 -10.4031 TIMING: 2209800 CPU: 6973.79, 0.00318277/step Wall: 6973.79, 0.00318277/step, 2.46683 hours remaining, 240.011719 MB of memory in use. ENERGY: 2209800 3980.0618 20343.6393 14526.4999 249.9507 -203606.1987 2699.0318 0.0000 0.0000 52142.8402 -109664.1751 299.6656 -161807.0153 -109307.2077 298.8580 -132.3598 -104.4590 761334.2670 2.1850 2.1701 PRESSURE: 2210000 174.955 -4.49014 92.8481 -4.4898 181.067 119.676 92.8484 119.676 162.629 GPRESSURE: 2210000 225.711 -86.1928 156.995 -3.5548 154.465 74.5887 62.2673 86.2313 222.528 PRESSAVG: 2210000 -27.2154 46.8805 60.2826 46.8805 33.7286 78.0274 60.2826 78.0275 -5.83179 GPRESSAVG: 2210000 -26.1084 47.7471 61.0754 45.1553 34.2391 77.9803 60.8627 78.3674 -7.24874 TIMING: 2210000 CPU: 6974.42, 0.00317587/step Wall: 6974.42, 0.00317587/step, 2.4613 hours remaining, 240.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2210000 3962.9410 20344.1707 14557.1746 254.5724 -203578.3528 2723.9607 0.0000 0.0000 52109.1074 -109626.4259 299.4718 -161735.5333 -109257.9032 299.0133 172.8839 200.9016 761406.4900 0.2271 0.2940 PRESSURE: 2210200 -69.8262 -27.7239 -23.9899 -27.7237 -162.678 -5.93869 -23.9905 -5.9399 62.9148 GPRESSURE: 2210200 -131.153 -22.1177 -48.7225 18.9196 -64.2997 -34.6425 -31.6335 -48.3107 96.6982 PRESSAVG: 2210200 -22.6098 36.2721 46.7407 36.2721 -0.913715 4.38504 46.7406 4.38502 -17.8966 GPRESSAVG: 2210200 -24.5601 35.3415 46.4092 35.858 -0.256453 5.30176 45.9019 2.29304 -16.9523 TIMING: 2210200 CPU: 6975.05, 0.00314419/step Wall: 6975.05, 0.00314419/step, 2.43657 hours remaining, 240.011719 MB of memory in use. ENERGY: 2210200 4004.4152 20660.0190 14440.7504 242.2238 -203264.7474 2301.6180 0.0000 0.0000 52180.8794 -109434.8417 299.8842 -161615.7211 -109073.7042 299.2620 -56.5297 -32.9182 760421.2457 -13.8067 -13.9230 PRESSURE: 2210400 195.055 95.5943 73.3358 95.5928 92.8407 237.173 73.336 237.173 520.225 GPRESSURE: 2210400 230.473 107.36 140.1 130.145 92.0781 187.162 -84.7391 200.632 554.654 PRESSAVG: 2210400 23.2966 15.518 62.7501 15.518 7.75215 -7.11162 62.7501 -7.11166 -4.43665 GPRESSAVG: 2210400 24.7028 12.4807 63.8489 15.7845 7.56677 -9.25591 62.3183 -3.60394 -5.80095 TIMING: 2210400 CPU: 6975.68, 0.00317323/step Wall: 6975.68, 0.00317323/step, 2.4589 hours remaining, 240.011719 MB of memory in use. ENERGY: 2210400 3992.7510 20533.2309 14418.7143 251.0428 -203478.7399 2722.0831 0.0000 0.0000 52015.4568 -109545.4609 298.9335 -161560.9177 -109192.6826 299.6354 269.3738 292.4016 761147.2239 8.8707 8.8229 PRESSURE: 2210600 -297.904 195.398 77.2073 195.398 5.24652 -208.481 77.2066 -208.481 -22.246 GPRESSURE: 2210600 -203.389 93.916 102.754 151.172 58.1518 -127.961 -82.7807 -214.395 -90.653 PRESSAVG: 2210600 -3.7034 -11.3678 27.2121 -11.3678 -48.0532 -3.2952 27.2122 -3.29512 16.9906 GPRESSAVG: 2210600 -3.6124 -7.93726 25.2416 -12.6847 -48.164 -2.31285 27.3492 -5.38668 17.3685 TIMING: 2210600 CPU: 6976.32, 0.00316407/step Wall: 6976.32, 0.00316407/step, 2.45163 hours remaining, 240.011719 MB of memory in use. ENERGY: 2210600 3912.9354 20495.3401 14413.1927 233.0149 -203293.0416 2394.3222 0.0000 0.0000 52125.3994 -109718.8369 299.5654 -161844.2363 -109361.0126 298.5874 -104.9680 -78.6302 761455.0266 -11.5887 -11.4693 PRESSURE: 2210800 -252.108 69.8984 64.1613 69.898 -206.28 89.003 64.1613 89.0036 -429.516 GPRESSURE: 2210800 -220.006 86.3492 157.673 3.12576 -247.103 43.3147 -46.5992 247.392 -331.358 PRESSAVG: 2210800 -16.7349 -30.6236 44.2691 -30.6236 32.7556 -33.6575 44.2691 -33.6576 13.982 GPRESSAVG: 2210800 -16.7555 -32.1115 44.8337 -29.6245 32.9924 -33.5686 45.4872 -31.9442 13.9368 TIMING: 2210800 CPU: 6976.95, 0.00318201/step Wall: 6976.95, 0.00318201/step, 2.46535 hours remaining, 240.011719 MB of memory in use. ENERGY: 2210800 3958.0660 20399.9752 14502.2441 265.7089 -203185.0860 2230.9407 0.0000 0.0000 52066.1260 -109762.0251 299.2247 -161828.1511 -109405.1405 298.7720 -295.9684 -266.1557 761372.6729 10.0009 10.0579 PRESSURE: 2211000 244.342 -293.883 170.535 -293.884 211.182 148.396 170.534 148.396 401.298 GPRESSURE: 2211000 260.702 -166.748 114.857 -312.872 332.42 147.518 56.5053 212.055 377.345 PRESSAVG: 2211000 -8.75759 -9.09293 11.8699 -9.09298 74.2255 16.8431 11.87 16.8432 -7.55037 GPRESSAVG: 2211000 -9.62475 -9.23779 13.3243 -10.0792 73.7566 17.2854 11.4725 16.3731 -6.41861 TIMING: 2211000 CPU: 6977.59, 0.00316077/step Wall: 6977.59, 0.00316077/step, 2.44872 hours remaining, 240.011719 MB of memory in use. ENERGY: 2211000 3999.5620 20456.3181 14406.1260 258.2966 -204208.2598 3004.4394 0.0000 0.0000 52239.2788 -109844.2388 300.2199 -162083.5177 -109485.0914 298.7684 285.6076 323.4891 758599.2736 19.3059 19.2377 PRESSURE: 2211200 -99.0581 15.8901 -30.9428 15.8898 -107.977 40.2356 -30.9425 40.2355 271.996 GPRESSURE: 2211200 -74.9856 -76.2444 -86.6063 2.71437 -11.2147 -109.97 -15.4117 -95.0707 228.246 PRESSAVG: 2211200 -12.6997 -64.3664 -6.98538 -64.3664 -27.9517 8.16604 -6.9854 8.16598 40.2051 GPRESSAVG: 2211200 -13.5538 -63.4226 -7.79435 -63.7266 -27.6964 8.15345 -8.30348 5.17467 40.4427 TIMING: 2211200 CPU: 6978.22, 0.00317264/step Wall: 6978.22, 0.00317264/step, 2.45774 hours remaining, 240.011719 MB of memory in use. ENERGY: 2211200 3983.6578 20372.1988 14422.0490 249.3365 -203375.7135 2315.3263 0.0000 0.0000 52162.7656 -109870.3795 299.7801 -162033.1451 -109504.1463 298.7915 21.6535 47.3487 760794.8901 -0.1488 -0.2692 PRESSURE: 2211400 -145.618 140.062 176.313 140.062 -256.945 82.9811 176.312 82.9797 -98.485 GPRESSURE: 2211400 -339.845 61.4964 160.322 5.98208 -44.1838 87.7784 197.918 137.054 4.85008 PRESSAVG: 2211400 -3.70587 3.0594 -46.2033 3.05941 -22.533 -0.872935 -46.2032 -0.872976 -4.79507 GPRESSAVG: 2211400 -2.17651 2.25162 -47.1215 3.27267 -22.8445 -0.683491 -44.612 -1.2181 -5.83495 TIMING: 2211400 CPU: 6978.86, 0.00318461/step Wall: 6978.86, 0.00318461/step, 2.46683 hours remaining, 240.011719 MB of memory in use. ENERGY: 2211400 4045.8571 20416.1025 14401.6069 255.4866 -203147.2231 2462.2069 0.0000 0.0000 51885.4066 -109680.5565 298.1861 -161565.9631 -109331.9321 298.8702 -167.0160 -126.3930 761047.3988 -10.3446 -10.2853 PRESSURE: 2211600 237.549 248.938 143.18 248.938 205.135 -23.8889 143.181 -23.8901 347.979 GPRESSURE: 2211600 223.386 168.39 169.184 239.331 275.365 10.4275 25.4675 -24.9999 368.064 PRESSAVG: 2211600 -38.0512 6.82868 0.237727 6.82865 22.6273 -62.6558 0.237709 -62.656 -5.47682 GPRESSAVG: 2211600 -38.3936 5.94779 -1.35028 5.04439 22.4434 -60.2381 0.862131 -63.0176 -5.05532 TIMING: 2211600 CPU: 6979.49, 0.00318238/step Wall: 6979.49, 0.00318238/step, 2.46493 hours remaining, 240.011719 MB of memory in use. ENERGY: 2211600 3887.9946 20351.9847 14488.4377 239.9906 -202825.8120 2336.7835 0.0000 0.0000 51875.4285 -109645.1924 298.1288 -161520.6208 -109290.4390 299.3814 263.5543 288.9384 761194.0274 -6.9669 -7.0018 PRESSURE: 2211800 -417.202 1.26441 -97.275 1.26437 -154.873 134.51 -97.2754 134.511 -377.559 GPRESSURE: 2211800 -377.837 -75.3632 -111.04 -26.8641 -173.17 110.78 -104.768 124.629 -314.255 PRESSAVG: 2211800 -45.8905 7.80068 3.66296 7.80065 13.1763 20.2513 3.66289 20.2513 -15.9867 GPRESSAVG: 2211800 -47.2963 8.73202 5.04071 9.91942 13.7543 17.3335 3.34208 21.3552 -14.9143 TIMING: 2211800 CPU: 6980.13, 0.00316548/step Wall: 6980.13, 0.00316548/step, 2.45167 hours remaining, 240.011719 MB of memory in use. ENERGY: 2211800 3991.1174 20427.2194 14510.5856 254.4883 -203222.7999 2389.8508 0.0000 0.0000 51899.1671 -109750.3713 298.2652 -161649.5384 -109389.0248 298.6100 -316.5446 -288.4207 761558.0443 -16.2336 -16.1521 PRESSURE: 2212000 38.5248 32.8642 -52.4575 32.8646 -17.3974 40.8164 -52.4569 40.8157 -25.1734 GPRESSURE: 2212000 90.3177 126.331 -32.814 -8.08951 -34.0393 -45.8412 24.7599 5.70495 9.1911 PRESSAVG: 2212000 -4.10414 42.4024 -7.50235 42.4024 -6.80069 24.7062 -7.50236 24.7061 -33.2769 GPRESSAVG: 2212000 -2.23862 42.7242 -7.69552 41.4092 -7.25019 25.6331 -6.97579 25.3819 -34.7258 TIMING: 2212000 CPU: 6980.76, 0.00317565/step Wall: 6980.76, 0.00317565/step, 2.45936 hours remaining, 240.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2212000 3964.9779 20595.8698 14471.9991 264.3439 -203272.6992 2311.5058 0.0000 0.0000 51760.3300 -109903.6727 297.4673 -161664.0027 -109551.0624 298.4450 -1.3487 21.8231 761129.0322 -14.7273 -14.7382 PRESSURE: 2212200 -23.9846 -119.988 18.0431 -119.988 -117.338 -0.91541 18.0429 -0.916041 -366.752 GPRESSURE: 2212200 -40.0866 -43.5304 -13.7987 -177.397 -81.2352 -20.8904 -37.2896 17.664 -305.531 PRESSAVG: 2212200 61.6017 27.295 0.475834 27.2951 -33.9534 4.85508 0.475801 4.8551 -8.19468 GPRESSAVG: 2212200 62.0999 26.2028 0.986079 26.8104 -34.6198 4.7074 -2.85873 4.65827 -7.42796 TIMING: 2212200 CPU: 6981.4, 0.00318818/step Wall: 6981.4, 0.00318818/step, 2.46889 hours remaining, 240.011719 MB of memory in use. ENERGY: 2212200 3961.0890 20208.2662 14483.8910 269.2804 -203356.2280 2406.7684 0.0000 0.0000 52262.4270 -109764.5060 300.3529 -162026.9330 -109390.4786 298.5251 -169.3582 -142.2842 761000.5997 6.4845 6.6841 LDB: ============= START OF LOAD BALANCING ============== 6993.8 LDB: ============== END OF LOAD BALANCING =============== 6993.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6993.81 LDB: ============= START OF LOAD BALANCING ============== 6994.13 LDB: Largest compute 7034 load 0.036229 is 18.5% of average load 0.195849 LDB: Average compute 0.004412 is 2.3% of average load 0.195849 LDB: TIME 6994.13 LOAD: AVG 0.195849 MAX 0.217004 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.535 MB LDB: TIME 6994.13 LOAD: AVG 0.195849 MAX 0.217004 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.535 MB LDB: TIME 6994.13 LOAD: AVG 0.195849 MAX 0.217004 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.535 MB LDB: ============== END OF LOAD BALANCING =============== 6994.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6994.14 PRESSURE: 2212400 -195.254 -46.352 313.926 -46.3522 48.2323 -143.574 313.927 -143.575 -72.7592 GPRESSURE: 2212400 -221.905 72.2377 220.263 -76.5015 152.585 -110.727 349.578 -70.8945 -61.2121 PRESSAVG: 2212400 -22.1593 -63.496 -10.0202 -63.496 -0.304797 -10.9084 -10.0202 -10.9084 11.8657 GPRESSAVG: 2212400 -23.3737 -62.8923 -8.44467 -60.6973 0.921112 -11.5239 -6.41916 -10.2914 12.0525 TIMING: 2212400 CPU: 6982.05, 0.0032726/step Wall: 6982.05, 0.0032726/step, 2.53408 hours remaining, 238.925781 MB of memory in use. ENERGY: 2212400 3998.1656 20407.2808 14465.8925 233.4853 -203649.0576 2660.9282 0.0000 0.0000 52128.0080 -109755.2971 299.5804 -161883.3051 -109399.9596 298.7658 -73.2603 -43.5108 760856.8599 -3.5328 -3.4667 PRESSURE: 2212600 -135.33 -36.965 73.6054 -36.9654 -91.7179 56.5971 73.6058 56.5979 -88.113 GPRESSURE: 2212600 -42.0139 -17.1885 153.032 -104.914 -114.463 -95.0725 22.2468 16.416 -95.3292 PRESSAVG: 2212600 8.80999 -45.1012 9.73941 -45.1013 -11.2933 -10.1855 9.73943 -10.1854 25.9958 GPRESSAVG: 2212600 10.3972 -45.6479 8.05196 -46.3534 -12.4242 -10.7824 7.949 -11.2216 25.795 TIMING: 2212600 CPU: 6982.69, 0.00319263/step Wall: 6982.69, 0.00319263/step, 2.47199 hours remaining, 239.128906 MB of memory in use. ENERGY: 2212600 4002.8865 20384.8494 14497.5973 243.3073 -203450.1806 2404.3347 0.0000 0.0000 51934.9694 -109982.2360 298.4710 -161917.2054 -109623.4787 298.9669 -105.0537 -83.9354 759398.9234 7.8375 7.9227 PRESSURE: 2212800 -60.8778 -42.9402 214.017 -42.9404 155.428 3.93392 214.017 3.93442 50.5878 GPRESSURE: 2212800 -92.7829 8.18048 179.625 1.78051 319.37 30.7936 245.959 -34.6499 8.58621 PRESSAVG: 2212800 -38.6285 -42.6992 -23.0364 -42.6992 19.8871 41.6378 -23.0364 41.6377 -6.36314 GPRESSAVG: 2212800 -38.9241 -41.8257 -24.3487 -43.3254 21.0148 41.7248 -22.6831 41.8936 -7.17486 TIMING: 2212800 CPU: 6983.33, 0.00320141/step Wall: 6983.33, 0.00320141/step, 2.4786 hours remaining, 239.128906 MB of memory in use. ENERGY: 2212800 3869.1451 20451.5849 14447.8273 225.1406 -203380.6160 2534.2992 0.0000 0.0000 51837.9045 -110014.7144 297.9131 -161852.6189 -109656.3825 297.6501 48.3794 78.3910 759509.3507 -8.3682 -8.3614 PRESSURE: 2213000 54.6786 -29.1729 -96.471 -29.1722 -243.038 1.11701 -96.4703 1.11724 4.10491 GPRESSURE: 2213000 -20.4903 87.8378 -6.20295 -106.462 -173.316 -4.11027 -96.0411 -32.4528 91.0295 PRESSAVG: 2213000 -14.277 -6.19348 -42.6897 -6.19344 48.3761 -26.0736 -42.6897 -26.0736 4.49308 GPRESSAVG: 2213000 -16.1209 -6.56671 -41.7651 -5.97814 50.0834 -24.3373 -44.6956 -25.6602 4.50453 TIMING: 2213000 CPU: 6983.97, 0.00320447/step Wall: 6983.97, 0.00320447/step, 2.48079 hours remaining, 239.128906 MB of memory in use. ENERGY: 2213000 3919.2487 20257.9391 14489.8939 240.6895 -203710.1782 2717.7317 0.0000 0.0000 51962.5623 -110122.1131 298.6296 -162084.6754 -109765.6129 298.1244 -61.4181 -34.2589 760127.7093 12.8641 12.8223 PRESSURE: 2213200 211.034 -215.933 -163.202 -215.932 217.109 -14.152 -163.202 -14.1514 76.5063 GPRESSURE: 2213200 244.081 -337.388 -117.204 -172.263 263.719 -20.433 -104.078 -4.96073 80.875 PRESSAVG: 2213200 -34.1154 -26.7777 -26.1054 -26.7777 61.7357 21.4303 -26.1054 21.4303 1.76675 GPRESSAVG: 2213200 -32.7664 -25.9228 -27.2881 -25.8957 60.4656 21.1658 -22.4381 20.8698 2.37657 TIMING: 2213200 CPU: 6984.62, 0.00320882/step Wall: 6984.62, 0.00320882/step, 2.48398 hours remaining, 239.128906 MB of memory in use. ENERGY: 2213200 3976.3662 20445.2275 14513.0946 244.7439 -203052.5961 2287.4089 0.0000 0.0000 51499.4920 -110086.2630 295.9683 -161585.7550 -109721.5791 297.7726 168.2164 196.2250 759830.9201 9.7957 10.0253 PRESSURE: 2213400 109.854 196.164 -332.976 196.164 294.238 103.174 -332.976 103.174 -395.421 GPRESSURE: 2213400 152.118 208.529 -349.398 101.376 237.165 82.0216 -292.835 79.8416 -313.031 PRESSAVG: 2213400 6.64683 7.31402 25.5536 7.31402 10.0938 8.48426 25.5535 8.48417 -23.3579 GPRESSAVG: 2213400 6.01096 6.28858 27.3022 4.80733 10.6847 8.53446 23.4894 7.96932 -22.7986 TIMING: 2213400 CPU: 6985.26, 0.00321119/step Wall: 6985.26, 0.00321119/step, 2.48564 hours remaining, 239.128906 MB of memory in use. ENERGY: 2213400 4030.4482 20557.7347 14434.4198 229.8781 -203782.8577 2726.8506 0.0000 0.0000 51572.5742 -110230.9523 296.3883 -161803.5265 -109876.3887 297.6370 2.8902 25.4172 758973.0425 -2.2058 -2.0343 PRESSURE: 2213600 65.3929 40.0212 -86.0563 40.0212 -199.711 -1.87861 -86.0564 -1.87917 -169.774 GPRESSURE: 2213600 138.481 -72.3036 -122.232 -80.7753 -175.442 -25.1917 -134.616 54.8598 -187.841 PRESSAVG: 2213600 -23.3035 -52.733 17.9113 -52.733 17.2975 -43.7592 17.9114 -43.7592 33.2649 GPRESSAVG: 2213600 -21.874 -52.03 16.3029 -52.4063 17.3147 -42.4964 17.9329 -43.2005 32.579 TIMING: 2213600 CPU: 6985.91, 0.00324227/step Wall: 6985.91, 0.00324227/step, 2.50952 hours remaining, 239.128906 MB of memory in use. ENERGY: 2213600 3959.2776 20514.0216 14440.5618 233.6960 -203894.8434 2749.5754 0.0000 0.0000 51821.5673 -110176.1437 297.8193 -161997.7111 -109824.2441 298.0377 -101.3640 -74.9340 760347.5427 9.0863 9.3399 PRESSURE: 2213800 -168.75 -149.578 -90.6515 -149.578 277.764 121.382 -90.6521 121.383 335.036 GPRESSURE: 2213800 -83.3701 -79.1753 -71.0782 -216.078 245.855 42.9255 -14.6614 98.0079 350.87 PRESSAVG: 2213800 9.47877 -29.6643 -24.8405 -29.6643 -19.0925 -32.2176 -24.8404 -32.2176 11.9742 GPRESSAVG: 2213800 9.15581 -30.0777 -24.2341 -29.9581 -19.2072 -35.2644 -23.2312 -29.5962 12.1504 TIMING: 2213800 CPU: 6986.55, 0.00320525/step Wall: 6986.55, 0.00320525/step, 2.48069 hours remaining, 239.128906 MB of memory in use. ENERGY: 2213800 3930.9013 20413.7689 14345.8520 238.0848 -203460.7310 2622.6341 0.0000 0.0000 51805.5254 -110103.9646 297.7271 -161909.4900 -109736.5817 297.9819 148.0168 171.1180 759940.9339 0.7868 0.6997 PRESSURE: 2214000 -347.162 -38.6616 -62.8035 -38.6619 -23.8798 145.413 -62.804 145.414 -263.317 GPRESSURE: 2214000 -317.886 -98.6995 -21.0209 -2.43325 -27.6461 164.124 -33.0588 14.8186 -207.896 PRESSAVG: 2214000 -1.07329 -38.7323 20.2058 -38.7323 -5.39495 -10.0147 20.2058 -10.0147 -2.64728 GPRESSAVG: 2214000 -1.83043 -38.6251 21.0412 -37.4337 -5.76855 -9.28279 18.6659 -10.9405 -2.00215 TIMING: 2214000 CPU: 6987.18, 0.00318902/step Wall: 6987.18, 0.00318902/step, 2.46795 hours remaining, 239.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2214000 4086.5750 20385.2046 14344.5053 248.2211 -203571.9588 2508.0964 0.0000 0.0000 51851.5897 -110147.7667 297.9918 -161999.3564 -109798.6848 298.0936 -211.4530 -184.4759 759937.4158 -3.0385 -3.2004 PRESSURE: 2214200 -227.445 73.1967 63.4183 73.1962 -139.434 134.21 63.418 134.21 -495.322 GPRESSURE: 2214200 -292.669 88.3756 154.874 165.729 -3.50848 112.008 -58.0381 94.2429 -475.049 PRESSAVG: 2214200 -9.14933 14.6545 11.0473 14.6545 16.1722 -24.9188 11.0473 -24.9188 -1.2439 GPRESSAVG: 2214200 -9.51979 13.9376 9.54314 14.6332 17.6673 -24.0352 12.3462 -27.823 -1.76869 TIMING: 2214200 CPU: 6987.82, 0.00318817/step Wall: 6987.82, 0.00318817/step, 2.46712 hours remaining, 239.128906 MB of memory in use. ENERGY: 2214200 4000.4402 20492.6286 14426.4475 241.6902 -203455.2601 2389.4432 0.0000 0.0000 51997.8207 -109906.7898 298.8322 -161904.6105 -109553.4148 298.2759 -287.4001 -257.0757 758949.0175 1.9263 2.1263 PRESSURE: 2214400 -234.777 266.463 11.9224 266.464 -183.535 17.0401 11.9226 17.0407 -133.925 GPRESSURE: 2214400 -67.9449 207.934 -75.7394 296.359 -203.12 74.5777 -36.3151 32.5445 -211.486 PRESSAVG: 2214400 9.75536 -8.833 -18.1628 -8.83295 0.946878 6.734 -18.1629 6.73388 23.9028 GPRESSAVG: 2214400 9.40132 -6.70648 -18.1012 -7.69774 1.11515 8.85291 -19.4135 8.47636 23.898 TIMING: 2214400 CPU: 6988.46, 0.00317921/step Wall: 6988.46, 0.00317921/step, 2.46 hours remaining, 239.128906 MB of memory in use. ENERGY: 2214400 4054.1846 20421.8868 14439.9713 235.8236 -202903.2671 2092.0915 0.0000 0.0000 51714.5855 -109944.7238 297.2044 -161659.3093 -109596.7236 299.0013 -184.0793 -160.8502 761597.8146 11.5350 11.4715 PRESSURE: 2214600 184.912 161.654 -16.7357 161.653 -96.311 -217.597 -16.7362 -217.597 -207.105 GPRESSURE: 2214600 160.728 20.1313 -30.9483 241.947 1.43184 -240.573 3.18655 -64.4624 -204.707 PRESSAVG: 2214600 27.1003 38.363 -26.5257 38.3631 -26.3561 6.78906 -26.5257 6.78902 -23.0716 GPRESSAVG: 2214600 29.1325 37.9931 -25.481 37.1233 -28.5619 4.52196 -25.1283 4.4775 -23.2909 TIMING: 2214600 CPU: 6989.09, 0.00318199/step Wall: 6989.09, 0.00318199/step, 2.46198 hours remaining, 239.128906 MB of memory in use. ENERGY: 2214600 4005.4504 20605.7043 14428.7197 258.1776 -203287.8114 2398.0025 0.0000 0.0000 51805.2922 -109786.4648 297.7257 -161591.7570 -109427.3522 298.6431 -39.5015 -14.1825 760612.5215 -7.4425 -7.5734 PRESSURE: 2214800 -64.4418 60.8179 -16.7209 60.8169 -87.7663 -2.64923 -16.7218 -2.6499 396.819 GPRESSURE: 2214800 9.55103 53.5487 -71.7939 39.4397 -45.0092 -109.967 -56.242 -83.8456 376.075 PRESSAVG: 2214800 36.8396 81.4756 41.6429 81.4755 -64.9491 -8.10912 41.643 -8.1092 -24.7406 GPRESSAVG: 2214800 35.9262 79.9499 40.2081 81.6018 -65.0104 -7.12105 40.0636 -5.08117 -24.7 TIMING: 2214800 CPU: 6989.73, 0.00317885/step Wall: 6989.73, 0.00317885/step, 2.45937 hours remaining, 239.128906 MB of memory in use. ENERGY: 2214800 3984.3636 20560.8010 14433.1068 238.5229 -203412.2256 2549.9297 0.0000 0.0000 51894.0111 -109751.4905 298.2356 -161645.5016 -109398.9716 298.8434 81.5368 113.5388 760193.6301 -17.6167 -17.9280 PRESSURE: 2215000 198.657 135.869 55.1548 135.87 191.192 15.2617 55.1552 15.2618 297.531 GPRESSURE: 2215000 286.519 119.39 -7.26036 191.827 110.287 -21.3859 141.837 101.603 355.447 PRESSAVG: 2215000 -13.7813 -0.379919 18.5515 -0.37988 -9.08515 24.4994 18.5515 24.4993 -0.351878 GPRESSAVG: 2215000 -14.7574 0.82051 19.8806 0.0508606 -8.24367 24.6441 18.3134 24.3779 0.0153106 TIMING: 2215000 CPU: 6990.37, 0.00319395/step Wall: 6990.37, 0.00319395/step, 2.47088 hours remaining, 239.128906 MB of memory in use. ENERGY: 2215000 3898.3437 20590.6037 14391.6767 254.1267 -203160.5788 2313.4319 0.0000 0.0000 51899.6248 -109812.7713 298.2679 -161712.3961 -109452.2978 298.7751 229.1266 250.7510 760857.0391 -7.7394 -7.6619 PRESSURE: 2215200 -144.693 -45.0401 147.547 -45.0402 352.63 26.8403 147.546 26.8407 271.303 GPRESSURE: 2215200 -24.163 74.7823 250.88 -139.57 372.848 -42.4426 95.069 -90.6845 228.373 PRESSAVG: 2215200 -9.68602 25.8497 30.6403 25.8497 45.0527 16.1162 30.6404 16.1163 -5.78171 GPRESSAVG: 2215200 -9.0968 23.7727 30.2839 27.2777 43.8371 15.0752 31.1152 15.9292 -5.6426 TIMING: 2215200 CPU: 6991.01, 0.00318066/step Wall: 6991.01, 0.00318066/step, 2.46041 hours remaining, 239.128906 MB of memory in use. ENERGY: 2215200 3961.0213 20540.0571 14401.5633 233.5707 -203355.8087 2451.0366 0.0000 0.0000 51898.2880 -109870.2717 298.2602 -161768.5598 -109509.0712 298.5454 159.7465 192.3525 759935.6963 9.8617 9.6992 PRESSURE: 2215400 191.686 -62.4516 32.7369 -62.4508 -342.106 99.8122 32.7362 99.8124 -107.665 GPRESSURE: 2215400 120.434 -201.375 -71.1374 -80.5605 -214.574 124.489 -59.3888 74.3885 -73.7152 PRESSAVG: 2215400 22.9889 -22.7779 36.0391 -22.7778 -1.60206 36.1734 36.039 36.1734 18.9397 GPRESSAVG: 2215400 22.0344 -21.3114 35.8505 -22.8917 -0.038481 36.6221 35.6715 35.4114 18.9345 TIMING: 2215400 CPU: 6991.64, 0.00317459/step Wall: 6991.64, 0.00317459/step, 2.45554 hours remaining, 239.128906 MB of memory in use. ENERGY: 2215400 4043.8691 20546.5578 14429.8162 248.3181 -203558.9741 2414.2170 0.0000 0.0000 51989.4485 -109886.7474 298.7841 -161876.1959 -109528.6765 298.3290 -86.0279 -55.9518 760932.7702 13.4422 13.6435 PRESSURE: 2215600 124.982 -203.02 33.8967 -203.02 -155.381 21.3859 33.8964 21.3856 -261.841 GPRESSURE: 2215600 88.1934 -39.1214 -14.3403 -265.711 -21.7355 95.8002 -16.101 -32.4569 -262.752 PRESSAVG: 2215600 39.9544 -12.8791 6.14605 -12.8791 -51.2236 -9.76961 6.14606 -9.76959 -11.0868 GPRESSAVG: 2215600 41.3929 -11.5703 5.73522 -14.4434 -52.0151 -9.21244 8.47959 -6.09747 -11.4283 TIMING: 2215600 CPU: 6992.28, 0.00318125/step Wall: 6992.28, 0.00318125/step, 2.46052 hours remaining, 239.128906 MB of memory in use. ENERGY: 2215600 4010.8781 20611.5660 14446.3444 245.4771 -203646.6605 2582.3159 0.0000 0.0000 51909.2110 -109840.8679 298.3229 -161750.0789 -109480.1320 298.4464 -97.4132 -65.4313 761766.2520 -7.4520 -7.3502 PRESSURE: 2215800 -301.85 -28.1474 81.1947 -28.1476 -94.1049 84.4584 81.1943 84.4586 -189.035 GPRESSURE: 2215800 -232.461 -52.2933 -6.50468 -6.12952 -67.4612 120.112 81.0111 1.30555 -193.459 PRESSAVG: 2215800 -21.0711 9.87288 39.8365 9.87292 -25.39 9.76723 39.8364 9.76727 1.44852 GPRESSAVG: 2215800 -21.0807 6.65405 40.554 12.1764 -24.4388 7.47883 36.6931 8.06595 0.846871 TIMING: 2215800 CPU: 6992.92, 0.00319844/step Wall: 6992.92, 0.00319844/step, 2.47364 hours remaining, 239.128906 MB of memory in use. ENERGY: 2215800 3905.8739 20660.8610 14385.7131 255.9777 -203539.9629 2674.9179 0.0000 0.0000 52075.4257 -109581.1936 299.2782 -161656.6193 -109221.3863 298.5939 -194.9967 -164.4604 762239.2506 -15.0042 -14.8909 PRESSURE: 2216000 247.74 70.0381 -53.2196 70.0382 -187.493 126.378 -53.2192 126.378 82.8125 GPRESSURE: 2216000 98.5931 103.215 -42.559 160.519 -15.5064 90.6526 15.501 23.4509 160.76 PRESSAVG: 2216000 22.7295 7.86354 -14.8946 7.86352 25.455 -6.26212 -14.8946 -6.26214 13.0715 GPRESSAVG: 2216000 21.7536 9.4685 -15.5456 7.85439 26.0925 -4.01324 -13.9981 -6.75882 13.9209 TIMING: 2216000 CPU: 6993.56, 0.00319882/step Wall: 6993.56, 0.00319882/step, 2.47376 hours remaining, 239.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2216000 4056.3701 20622.0321 14466.7480 257.1429 -203351.0775 2616.5812 0.0000 0.0000 51815.6623 -109516.5408 297.7853 -161332.2032 -109151.9130 299.5723 47.6866 81.2822 760649.3944 20.4187 20.5890 PRESSURE: 2216200 -44.6989 165.459 -81.9213 165.458 -389.643 171.134 -81.9221 171.133 -218.648 GPRESSURE: 2216200 -105.997 128.932 -126.747 204.594 -373.928 160.651 -18.6578 10.9547 -95.4645 PRESSAVG: 2216200 -7.47103 -4.36819 11.9943 -4.36821 4.84212 -43.2532 11.9944 -43.2532 -4.56833 GPRESSAVG: 2216200 -7.09454 -3.5205 13.4577 -6.55808 4.14041 -42.9713 13.1499 -45.3868 -4.23241 TIMING: 2216200 CPU: 6994.19, 0.00318914/step Wall: 6994.19, 0.00318914/step, 2.46609 hours remaining, 239.128906 MB of memory in use. ENERGY: 2216200 3915.2401 20635.8973 14445.7025 245.9048 -203239.7767 2511.9650 0.0000 0.0000 52120.2776 -109364.7894 299.5360 -161485.0670 -109017.8747 299.6207 -217.6633 -191.7964 762843.5999 -2.3991 -2.3955 LDB: ============= START OF LOAD BALANCING ============== 7006.6 LDB: ============== END OF LOAD BALANCING =============== 7006.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7006.6 LDB: ============= START OF LOAD BALANCING ============== 7006.93 LDB: Largest compute 7034 load 0.036021 is 18.4% of average load 0.195912 LDB: Average compute 0.004390 is 2.2% of average load 0.195912 LDB: TIME 7006.93 LOAD: AVG 0.195912 MAX 0.214774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7006.93 LOAD: AVG 0.195912 MAX 0.214774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7006.93 LOAD: AVG 0.195912 MAX 0.214774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7006.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7006.94 PRESSURE: 2216400 74.236 175.365 -61.4899 175.364 16.8824 -77.1399 -61.4896 -77.1403 -165.457 GPRESSURE: 2216400 123.457 132.706 -35.5556 177.258 16.9637 -63.6614 -72.6585 5.8454 -135.505 PRESSAVG: 2216400 -16.0799 5.01716 -1.06304 5.0171 51.4287 1.25677 -1.06308 1.25674 -7.23382 GPRESSAVG: 2216400 -16.3816 2.84593 -1.62187 7.6454 51.7503 0.306412 -2.9487 1.961 -7.20877 TIMING: 2216400 CPU: 6994.85, 0.00330165/step Wall: 6994.85, 0.00330165/step, 2.55291 hours remaining, 238.613281 MB of memory in use. ENERGY: 2216400 3927.6133 20629.6198 14459.5495 246.1166 -203724.0424 2749.6670 0.0000 0.0000 52328.9730 -109382.5031 300.7353 -161711.4762 -109020.1193 299.2693 -24.7794 1.6385 762712.8448 9.3716 9.3866 PRESSURE: 2216600 109.373 -2.0181 244.445 -2.0177 153.947 163.873 244.445 163.873 410.597 GPRESSURE: 2216600 179.168 7.36039 285.012 -124.896 182.509 229.862 234.889 171.101 414.41 PRESSAVG: 2216600 23.1212 16.7008 -20.8778 16.7009 -17.6015 56.0146 -20.8778 56.0146 -5.66832 GPRESSAVG: 2216600 24.6446 16.6664 -21.1562 14.8579 -16.9239 56.2732 -18.9187 57.94 -7.76141 TIMING: 2216600 CPU: 6995.5, 0.00324144/step Wall: 6995.5, 0.00324144/step, 2.50618 hours remaining, 238.613281 MB of memory in use. ENERGY: 2216600 3961.1309 20601.0055 14439.1217 264.0505 -203498.3049 2738.8529 0.0000 0.0000 51899.3452 -109594.7982 298.2663 -161494.1435 -109234.8802 298.7307 224.6388 258.6955 762512.9376 -0.0495 -0.0136 PRESSURE: 2216800 220.311 -131.096 -100.513 -131.095 478.309 -73.6906 -100.513 -73.6909 -23.009 GPRESSURE: 2216800 302.315 -179.067 -113.759 -137.309 454.349 -165.453 -75.1664 -55.1694 -9.09615 PRESSAVG: 2216800 10.2336 -26.7451 37.4637 -26.7451 -1.63242 -16.0708 37.4637 -16.0708 -8.54174 GPRESSAVG: 2216800 8.08968 -25.4997 37.4297 -27.4065 -1.25565 -14.9222 36.5672 -17.5754 -7.06647 TIMING: 2216800 CPU: 6996.14, 0.00319919/step Wall: 6996.14, 0.00319919/step, 2.47333 hours remaining, 238.613281 MB of memory in use. ENERGY: 2216800 3992.4328 20664.7695 14434.7488 251.6945 -203784.0525 2876.8361 0.0000 0.0000 52224.0586 -109339.5122 300.1324 -161563.5708 -108983.5122 299.3234 225.2036 249.1891 762490.2599 0.0198 -0.0775 PRESSURE: 2217000 15.8998 -149.795 103.158 -149.795 86.5161 -103.818 103.157 -103.817 14.86 GPRESSURE: 2217000 12.1551 -75.7734 96.8397 -160.498 83.8725 -138.759 147.746 -81.4749 87.6282 PRESSAVG: 2217000 23.3172 -28.2935 18.2842 -28.2935 38.9896 -21.1921 18.2842 -21.1921 19.2625 GPRESSAVG: 2217000 25.132 -28.5661 19.0108 -27.6178 37.4148 -22.3721 20.1844 -20.1432 18.7197 TIMING: 2217000 CPU: 6996.78, 0.00319577/step Wall: 6996.78, 0.00319577/step, 2.4705 hours remaining, 238.613281 MB of memory in use. ENERGY: 2217000 3937.6484 20810.2053 14526.5689 242.1307 -203567.5569 2653.2678 0.0000 0.0000 52269.8225 -109127.9132 300.3954 -161397.7357 -108769.9143 299.8860 39.0920 61.2186 762850.1237 27.1898 27.0888 PRESSURE: 2217200 -30.3412 160.979 145.655 160.979 73.6576 -95.3422 145.655 -95.3426 -248.983 GPRESSURE: 2217200 28.8386 250.217 163.566 216.798 84.1724 -42.8272 83.6497 -1.89645 -222.204 PRESSAVG: 2217200 14.9537 43.4446 29.7828 43.4446 -22.275 4.06198 29.7828 4.06196 -20.4227 GPRESSAVG: 2217200 15.018 44.4269 29.8985 42.2037 -22.2053 5.36805 26.6801 5.02503 -19.3946 TIMING: 2217200 CPU: 6997.42, 0.00320228/step Wall: 6997.42, 0.00320228/step, 2.47536 hours remaining, 238.613281 MB of memory in use. ENERGY: 2217200 4018.3089 20498.3330 14442.4749 244.3947 -203498.6302 2748.6044 0.0000 0.0000 52017.6046 -109528.9097 298.9459 -161546.5143 -109162.9268 299.6707 -68.5556 -36.3978 762063.8182 -9.2480 -8.8606 PRESSURE: 2217400 110.24 -91.0516 -41.3102 -91.0515 141.524 -122.617 -41.3097 -122.617 43.1806 GPRESSURE: 2217400 129.632 -157.619 -68.5173 -205.117 149.433 -67.0068 37.4686 -135.864 104.304 PRESSAVG: 2217400 -64.8632 -27.8765 -13.8528 -27.8766 60.7776 14.0955 -13.8528 14.0955 25.5336 GPRESSAVG: 2217400 -65.4031 -28.4366 -13.8145 -27.7175 60.9382 12.8062 -13.7416 15.1039 25.3574 TIMING: 2217400 CPU: 6998.06, 0.00318655/step Wall: 6998.06, 0.00318655/step, 2.46302 hours remaining, 238.613281 MB of memory in use. ENERGY: 2217400 3930.5601 20563.3505 14449.0502 248.6607 -203489.5123 2641.1354 0.0000 0.0000 52152.2586 -109504.4967 299.7197 -161656.7553 -109137.3518 299.5810 98.3147 127.7898 760432.2471 7.1493 6.9642 PRESSURE: 2217600 -56.1893 25.6449 -64.3561 25.6451 230.944 -301.118 -64.3564 -301.118 333.491 GPRESSURE: 2217600 -43.3419 70.3957 -195.384 28.304 260.664 -257.631 98.8999 -274.777 385.067 PRESSAVG: 2217600 -22.6518 -8.3381 -1.95857 -8.33807 23.2468 -4.62391 -1.95857 -4.62392 5.02037 GPRESSAVG: 2217600 -22.7218 -8.31233 -3.41768 -5.74873 23.2137 -2.50126 0.983737 -7.39342 5.82902 TIMING: 2217600 CPU: 6998.7, 0.00319824/step Wall: 6998.7, 0.00319823/step, 2.47188 hours remaining, 238.613281 MB of memory in use. ENERGY: 2217600 3922.5498 20494.0360 14477.7869 244.9874 -203190.3682 2544.9305 0.0000 0.0000 52094.7578 -109411.3198 299.3893 -161506.0776 -109051.5488 299.3422 169.4151 200.7963 760642.4332 1.8718 2.1070 PRESSURE: 2217800 -556.121 106.01 37.6537 106.01 -50.1193 97.533 37.6538 97.5334 218.691 GPRESSURE: 2217800 -426.896 158.155 -1.4176 64.0572 -17.7457 60.3038 133.373 -76.5804 165.257 PRESSAVG: 2217800 -24.6146 22.5632 -7.1182 22.5632 62.6311 -29.3023 -7.11822 -29.3024 -11.982 GPRESSAVG: 2217800 -23.9666 21.272 -6.28466 22.1407 62.2309 -28.4553 -8.93885 -28.929 -12.0956 TIMING: 2217800 CPU: 6999.34, 0.00319792/step Wall: 6999.34, 0.00319792/step, 2.47146 hours remaining, 238.613281 MB of memory in use. ENERGY: 2217800 3925.6530 20354.2332 14364.0825 242.4674 -202956.2853 2408.4900 0.0000 0.0000 52266.2904 -109395.0688 300.3751 -161661.3592 -109021.1132 299.0388 -129.1833 -93.1282 761179.7136 8.6782 8.7229 PRESSURE: 2218000 101.502 196.027 13.1369 196.026 231.553 -43.1665 13.1365 -43.1661 48.3261 GPRESSURE: 2218000 83.6759 101.301 -45.6699 184.939 214.87 -129.315 30.4531 -66.9093 180.012 PRESSAVG: 2218000 13.3154 41.2132 3.8411 41.2132 -22.882 -18.1285 3.84109 -18.1286 -7.98191 GPRESSAVG: 2218000 12.0988 41.4594 2.19388 40.0591 -21.718 -20.5012 4.74806 -18.8632 -7.76772 TIMING: 2218000 CPU: 6999.98, 0.0032061/step Wall: 6999.98, 0.0032061/step, 2.47761 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2218000 3945.8622 20432.5794 14489.1249 239.3130 -203325.8767 2640.0028 0.0000 0.0000 52078.6306 -109500.3637 299.2966 -161578.9943 -109153.6029 299.0681 127.1272 159.5194 762059.2490 -5.8495 -5.7957 PRESSURE: 2218200 16.1773 -79.5491 181.446 -79.5492 133.214 -222.404 181.446 -222.404 -294.527 GPRESSURE: 2218200 23.7969 -50.4559 97.1582 10.584 173.138 -127.226 122.795 -194.599 -234.929 PRESSAVG: 2218200 45.7254 1.60398 18.6424 1.60399 -71.2195 18.6433 18.6424 18.6434 4.76709 GPRESSAVG: 2218200 47.6955 1.31709 18.0782 2.99551 -72.3178 20.2149 17.508 18.9662 3.87745 TIMING: 2218200 CPU: 7000.63, 0.00324911/step Wall: 7000.63, 0.00324911/step, 2.51066 hours remaining, 238.613281 MB of memory in use. ENERGY: 2218200 3995.5993 20399.6292 14391.9936 242.1520 -203240.3960 2588.6892 0.0000 0.0000 52113.8120 -109508.5207 299.4988 -161622.3326 -109140.6431 298.5506 -48.3785 -12.6647 763285.8149 -6.9090 -6.9150 PRESSURE: 2218400 32.0931 135.273 -298.564 135.274 -210.14 -42.7731 -298.563 -42.7737 167.334 GPRESSURE: 2218400 122.166 138.742 -201 135.096 -201.045 -102.866 -118.479 -16.1592 143.159 PRESSAVG: 2218400 67.5728 1.15832 -13.9637 1.15834 -27.9241 -38.072 -13.9637 -38.0719 -5.14 GPRESSAVG: 2218400 67.6402 0.123491 -12.0098 -1.11752 -27.9695 -38.9273 -13.6069 -37.9394 -5.40948 TIMING: 2218400 CPU: 7001.27, 0.00321761/step Wall: 7001.27, 0.00321761/step, 2.48614 hours remaining, 238.613281 MB of memory in use. ENERGY: 2218400 3875.5894 20376.3877 14398.3834 251.2726 -203088.4176 2565.2317 0.0000 0.0000 52057.9089 -109563.6440 299.1775 -161621.5529 -109200.1299 298.8039 -3.5710 21.4266 762864.3146 11.5029 11.4204 PRESSURE: 2218600 -294.977 -40.7216 212.935 -40.721 69.4633 -84.0595 212.935 -84.059 212.76 GPRESSURE: 2218600 -205.616 -131.753 203.34 -108.729 36.4419 -151.305 243.834 -80.7516 226.426 PRESSAVG: 2218600 46.4752 -27.436 -10.5279 -27.4359 -58.3387 -79.1084 -10.5279 -79.1084 -1.04137 GPRESSAVG: 2218600 46.096 -25.6912 -9.83469 -26.8347 -58.8827 -79.0599 -9.02513 -78.7208 0.16555 TIMING: 2218600 CPU: 7001.91, 0.00319335/step Wall: 7001.91, 0.00319335/step, 2.46722 hours remaining, 238.613281 MB of memory in use. ENERGY: 2218600 4009.5722 20500.4790 14502.3462 241.3657 -203215.8113 2414.7204 0.0000 0.0000 52023.2477 -109524.0802 298.9783 -161547.3279 -109159.9091 299.1982 -4.2511 19.0837 761332.5109 -4.3016 -4.2071 PRESSURE: 2218800 -123.396 103.601 -208.817 103.601 184.307 196.307 -208.818 196.309 9.58739 GPRESSURE: 2218800 4.33021 17.0794 -255.007 40.6889 171.932 137.731 -159.966 162.077 -23.6993 PRESSAVG: 2218800 33.4491 16.4545 -37.1067 16.4545 -24.7992 -59.6104 -37.1066 -59.6104 34.523 GPRESSAVG: 2218800 33.9756 16.0462 -37.6432 16.9688 -24.2286 -58.8124 -38.7537 -59.9091 33.6154 TIMING: 2218800 CPU: 7002.55, 0.00318899/step Wall: 7002.55, 0.00318899/step, 2.46367 hours remaining, 238.613281 MB of memory in use. ENERGY: 2218800 3987.8241 20422.8314 14499.7291 232.2570 -203149.9072 2582.4230 0.0000 0.0000 52021.6895 -109403.1531 298.9694 -161424.8426 -109048.1777 299.3416 23.4994 50.8544 761578.6493 14.3909 14.4541 PRESSURE: 2219000 -177.525 -76.9036 -135.076 -76.9036 165.024 177.411 -135.076 177.411 173.456 GPRESSURE: 2219000 -13.8479 -75.1317 -92.2181 74.3695 143.462 190.76 -103.979 189.133 123.433 PRESSAVG: 2219000 71.3827 -2.25759 -26.2332 -2.25763 -20.6389 5.02204 -26.2332 5.022 18.9475 GPRESSAVG: 2219000 71.1876 -3.92848 -25.9083 -2.65799 -21.1778 4.22611 -27.7986 4.35839 20.2646 TIMING: 2219000 CPU: 7003.19, 0.00318989/step Wall: 7003.19, 0.00318989/step, 2.46419 hours remaining, 238.613281 MB of memory in use. ENERGY: 2219000 4016.7470 20500.2895 14493.6785 234.7360 -202878.5637 2553.0214 0.0000 0.0000 51844.4073 -109235.6840 297.9505 -161080.0914 -108877.9961 299.0526 53.6519 84.3490 761339.4049 23.2304 23.4248 PRESSURE: 2219200 426.432 83.9387 -17.2819 83.9379 -196.957 166.932 -17.2826 166.932 -73.5571 GPRESSURE: 2219200 407.751 73.2284 -40.3781 199.092 -6.07097 139.54 -0.733398 197.887 -159.601 PRESSAVG: 2219200 39.6866 3.18589 24.0507 3.1858 -61.1393 3.59155 24.0507 3.59151 -3.44197 GPRESSAVG: 2219200 39.8857 3.00539 24.8555 5.14492 -60.487 3.85743 26.6649 5.69172 -4.38916 TIMING: 2219200 CPU: 7003.83, 0.00320922/step Wall: 7003.83, 0.00320922/step, 2.47895 hours remaining, 238.613281 MB of memory in use. ENERGY: 2219200 4090.6444 20552.6863 14434.2985 248.1760 -203303.2306 2650.7690 0.0000 0.0000 52065.5584 -109261.0981 299.2215 -161326.6564 -108899.2277 299.2286 51.9727 80.6931 760465.0030 -8.2982 -8.3302 PRESSURE: 2219400 79.8769 -7.78567 73.7873 -7.78605 -215.912 -41.2077 73.7871 -41.2085 20.026 GPRESSURE: 2219400 115.653 63.7513 56.3223 -78.0949 -64.1142 -66.6613 157.75 -8.59762 -81.3577 PRESSAVG: 2219400 87.4269 1.24873 18.6141 1.2487 -118.217 -5.41905 18.6142 -5.41911 17.0361 GPRESSAVG: 2219400 86.1702 4.39299 17.164 -1.47943 -116.446 -5.12219 19.2595 -5.22485 16.8129 TIMING: 2219400 CPU: 7004.47, 0.00318904/step Wall: 7004.47, 0.00318904/step, 2.46318 hours remaining, 238.613281 MB of memory in use. ENERGY: 2219400 4082.9237 20677.0221 14470.7110 247.1661 -203316.5288 2692.0716 0.0000 0.0000 51972.8848 -109173.7496 298.6889 -161146.6344 -108827.8823 299.8251 -38.6698 -9.9396 760712.8746 -4.5847 -4.4876 PRESSURE: 2219600 38.5865 -164.727 -182.384 -164.728 285.054 98.236 -182.383 98.2344 303.396 GPRESSURE: 2219600 138.333 -240.189 -189.207 -161.653 342.45 145.133 -76.2876 127.058 247.773 PRESSAVG: 2219600 28.0434 2.67627 4.39726 2.6762 -17.8401 -36.9889 4.39726 -36.9889 -11.2746 GPRESSAVG: 2219600 28.0415 0.770344 5.90935 4.59017 -18.0174 -38.1985 2.51138 -37.1101 -10.7416 TIMING: 2219600 CPU: 7005.1, 0.00317951/step Wall: 7005.1, 0.00317951/step, 2.45564 hours remaining, 238.613281 MB of memory in use. ENERGY: 2219600 3940.5435 20630.2465 14418.2544 249.8196 -203198.2779 2438.8684 0.0000 0.0000 52084.9613 -109435.5841 299.3330 -161520.5454 -109069.7088 299.9473 209.0121 242.8521 760754.8491 -0.3571 -0.2392 PRESSURE: 2219800 -113.489 -227.713 48.5331 -227.713 6.17436 -198.014 48.532 -198.014 -382.23 GPRESSURE: 2219800 -139.685 -184.592 96.7113 -136.137 17.8579 -134.745 -46.7396 -159.891 -277.754 PRESSAVG: 2219800 -49.3377 -23.7619 23.2699 -23.7619 44.9339 17.3889 23.27 17.3889 14.5653 GPRESSAVG: 2219800 -49.007 -23.7958 22.6693 -23.7101 44.3739 19.1382 23.8786 15.3639 14.1337 TIMING: 2219800 CPU: 7005.75, 0.00323237/step Wall: 7005.75, 0.00323237/step, 2.49629 hours remaining, 238.613281 MB of memory in use. ENERGY: 2219800 4041.3841 20497.1252 14405.4593 263.4662 -203280.3628 2652.3311 0.0000 0.0000 51961.0043 -109459.5926 298.6206 -161420.5969 -109098.4840 299.4255 -163.1814 -133.1936 761808.4559 3.3872 3.1669 PRESSURE: 2220000 -0.356732 -71.7329 -320.974 -71.733 -1.39143 -146.984 -320.974 -146.984 350.871 GPRESSURE: 2220000 -46.6362 -128.878 -227.626 -51.2527 55.5869 -171.603 -487.829 -178.089 424.387 PRESSAVG: 2220000 11.1095 -30.7863 11.7945 -30.7863 -2.82211 -72.5767 11.7946 -72.5767 13.5497 GPRESSAVG: 2220000 10.7533 -31.7436 12.0752 -30.656 -2.83851 -72.0437 10.3603 -72.8989 14.6616 TIMING: 2220000 CPU: 7006.39, 0.00322561/step Wall: 7006.39, 0.00322561/step, 2.49089 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2220000 3961.7681 20590.1807 14499.4176 262.1177 -203550.0092 2859.7143 0.0000 0.0000 51914.1901 -109462.6207 298.3516 -161376.8108 -109102.3806 299.0007 116.3743 144.4460 759994.5324 7.2790 7.5255 PRESSURE: 2220200 36.8895 173.801 6.97602 173.801 -40.8203 -196.947 6.97614 -196.948 260.155 GPRESSURE: 2220200 139.547 202.186 60.4623 231.656 -111.03 -205.352 91.3334 -349.879 303.934 PRESSAVG: 2220200 -28.771 8.34074 -78.7309 8.34075 48.048 -38.8482 -78.7309 -38.8482 16.4688 GPRESSAVG: 2220200 -28.5332 9.1416 -78.9809 8.15763 47.9074 -39.1554 -76.6765 -39.2524 15.7228 TIMING: 2220200 CPU: 7007.03, 0.00320018/step Wall: 7007.03, 0.00320018/step, 2.47107 hours remaining, 238.613281 MB of memory in use. ENERGY: 2220200 4062.7295 20486.5081 14546.6230 248.3686 -203267.2780 2414.1084 0.0000 0.0000 51992.1556 -109516.7848 298.7996 -161508.9404 -109156.0692 298.9350 85.4080 110.8169 759735.0301 11.9153 11.6990 LDB: ============= START OF LOAD BALANCING ============== 7019.43 LDB: ============== END OF LOAD BALANCING =============== 7019.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7019.43 LDB: ============= START OF LOAD BALANCING ============== 7019.75 LDB: Largest compute 7074 load 0.033600 is 17.1% of average load 0.195949 LDB: Average compute 0.004406 is 2.2% of average load 0.195949 LDB: TIME 7019.75 LOAD: AVG 0.195949 MAX 0.214758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 7019.75 LOAD: AVG 0.195949 MAX 0.214758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 7019.75 LOAD: AVG 0.195949 MAX 0.214758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 7019.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7019.76 PRESSURE: 2220400 27.6754 269.441 -87.5311 269.441 122.729 36.5324 -87.5303 36.5333 232.719 GPRESSURE: 2220400 107.566 264.465 -87.511 190.427 124.75 47.554 -138.075 34.0342 240.101 PRESSAVG: 2220400 -25.0601 25.1546 -17.8903 25.1546 53.8901 -47.0588 -17.8903 -47.0589 -0.533294 GPRESSAVG: 2220400 -24.0232 25.4115 -18.0866 27.9316 52.9603 -48.7778 -16.7558 -47.8466 -0.722399 TIMING: 2220400 CPU: 7007.68, 0.00322111/step Wall: 7007.68, 0.00322111/step, 2.48705 hours remaining, 238.152344 MB of memory in use. ENERGY: 2220400 4060.4481 20668.3418 14389.3954 235.7243 -203187.6412 2534.1806 0.0000 0.0000 51711.6721 -109587.8789 297.1877 -161299.5511 -109224.2880 298.9795 127.7078 157.4721 762095.9312 9.4322 9.4049 PRESSURE: 2220600 -412.852 32.0678 173.567 32.068 -289.309 50.8172 173.567 50.8174 -451.216 GPRESSURE: 2220600 -362.612 2.91499 94.2218 5.35079 -234.215 108.817 146.862 -44.6377 -477.238 PRESSAVG: 2220600 19.7593 2.07329 26.5765 2.07324 20.2259 9.64184 26.5765 9.6419 8.59018 GPRESSAVG: 2220600 19.3339 1.8601 25.005 -0.343435 21.2753 9.72246 26.0632 11.8105 7.31153 TIMING: 2220600 CPU: 7008.31, 0.00316759/step Wall: 7008.31, 0.00316759/step, 2.44556 hours remaining, 238.355469 MB of memory in use. ENERGY: 2220600 4050.0236 20587.3516 14494.8105 237.7105 -203408.7569 2409.5627 0.0000 0.0000 52068.5411 -109560.7569 299.2386 -161629.2980 -109189.5216 299.3557 -384.4590 -358.0217 761274.6048 16.1918 15.9736 PRESSURE: 2220800 142.837 -154.787 -276.823 -154.786 100.643 -77.3172 -276.823 -77.3171 202.262 GPRESSURE: 2220800 227.931 -143.788 -267.855 -16.1921 68.1966 -67.7567 -108.901 -144.34 225.809 PRESSAVG: 2220800 -22.4976 -32.1861 24.5283 -32.1862 35.032 23.4486 24.5282 23.4486 0.539609 GPRESSAVG: 2220800 -22.6739 -32.0264 25.6612 -32.6351 33.2408 23.7624 25.0766 21.2616 2.52002 TIMING: 2220800 CPU: 7008.95, 0.00319453/step Wall: 7008.95, 0.00319453/step, 2.46618 hours remaining, 238.355469 MB of memory in use. ENERGY: 2220800 3855.9704 20522.8231 14518.6946 246.0598 -203437.5773 2566.3975 0.0000 0.0000 52016.1900 -109711.4418 298.9378 -161727.6319 -109341.9480 299.0404 148.5807 173.9788 761227.7408 4.3580 4.3623 PRESSURE: 2221000 17.4732 12.073 -25.4413 12.0728 -65.3327 -158.865 -25.4415 -158.865 -2.10623 GPRESSURE: 2221000 -25.8054 149.276 -50.0373 55.9299 35.135 -94.9393 -112.893 -152.655 18.9153 PRESSAVG: 2221000 23.216 10.2307 -17.6432 10.2307 -4.34543 14.8608 -17.6432 14.8608 -12.7278 GPRESSAVG: 2221000 22.8135 11.9483 -18.5079 11.3878 -3.33535 14.9355 -18.0162 13.7876 -13.4908 TIMING: 2221000 CPU: 7009.58, 0.00316392/step Wall: 7009.58, 0.00316392/step, 2.44237 hours remaining, 238.355469 MB of memory in use. ENERGY: 2221000 3914.2059 20530.4979 14456.1972 268.6570 -203206.0563 2321.4009 0.0000 0.0000 52225.4977 -109489.5997 300.1407 -161715.0974 -109117.8129 298.8607 -16.6552 9.4150 761348.0568 2.0476 1.9958 PRESSURE: 2221200 20.8325 -143.868 -100.627 -143.868 32.5876 -21.341 -100.627 -21.3408 120.585 GPRESSURE: 2221200 36.4902 -3.57295 -80.723 -103.989 144.624 15.4901 -19.5703 26.9709 73.4987 PRESSAVG: 2221200 35.8992 -51.7432 -24.7438 -51.7432 -23.2181 39.4498 -24.7439 39.4497 4.41221 GPRESSAVG: 2221200 36.7793 -52.4972 -24.5315 -50.3124 -23.2177 38.9959 -24.6699 42.0488 4.03872 TIMING: 2221200 CPU: 7010.21, 0.003149/step Wall: 7010.21, 0.003149/step, 2.43068 hours remaining, 238.355469 MB of memory in use. ENERGY: 2221200 4019.6756 20537.9627 14462.6396 253.4949 -203591.6405 2753.4728 0.0000 0.0000 52163.0178 -109401.3770 299.7816 -161564.3948 -109034.0427 298.9068 58.0018 84.8709 763607.6127 5.6978 5.8668 PRESSURE: 2221400 -6.08902 40.9657 -164.756 40.9658 50.9835 -343.93 -164.756 -343.931 43.7678 GPRESSURE: 2221400 18.6546 12.9347 -108.062 27.2299 29.8027 -330.778 -233.994 -268.766 135.826 PRESSAVG: 2221400 -22.0743 -1.62259 -55.2511 -1.62265 -13.0177 -34.4853 -55.2511 -34.4853 -0.962946 GPRESSAVG: 2221400 -20.6733 -2.22504 -53.6264 -3.95333 -14.4419 -36.4227 -58.2161 -34.3201 -0.253728 TIMING: 2221400 CPU: 7010.85, 0.0031764/step Wall: 7010.85, 0.0031764/step, 2.45165 hours remaining, 238.355469 MB of memory in use. ENERGY: 2221400 4070.0947 20644.7345 14466.4369 238.7434 -203415.9485 2651.4281 0.0000 0.0000 52036.8840 -109307.6270 299.0567 -161344.5110 -108941.3172 299.1043 29.5541 61.4276 762881.9208 -12.0183 -11.7896 PRESSURE: 2221600 -231.668 -200.085 27.8308 -200.085 -133.256 214.318 27.8314 214.317 -89.2189 GPRESSURE: 2221600 -138.021 -198.531 -20.7621 -191.712 -143.34 241.768 71.1862 199.107 -83.779 PRESSAVG: 2221600 27.4078 -9.80931 -20.5473 -9.80936 -11.8362 -4.36095 -20.5473 -4.36097 -1.36771 GPRESSAVG: 2221600 26.5691 -9.58702 -21.6125 -9.36782 -10.682 -1.8636 -19.3265 -4.50042 -2.20804 TIMING: 2221600 CPU: 7011.49, 0.00320207/step Wall: 7011.49, 0.00320207/step, 2.47129 hours remaining, 238.355469 MB of memory in use. ENERGY: 2221600 3929.8142 20590.3181 14507.3233 242.0550 -202932.9378 2566.9985 0.0000 0.0000 52069.2768 -109027.1518 299.2428 -161096.4286 -108667.7830 300.2276 -151.3807 -121.7133 763534.5746 4.7346 4.5597 PRESSURE: 2221800 204.176 86.4509 146.709 86.4514 -205.527 -3.38351 146.709 -3.3825 -251.805 GPRESSURE: 2221800 163.371 187.736 105.771 131.805 -113.611 -21.8761 159.293 -63.1415 -226.334 PRESSAVG: 2221800 -4.56759 25.9694 9.83931 25.9694 28.0333 -6.87811 9.83933 -6.87816 10.7076 GPRESSAVG: 2221800 -5.29069 27.5573 6.51908 27.1086 28.3173 -8.05954 12.855 -7.27162 10.9251 TIMING: 2221800 CPU: 7012.12, 0.00315985/step Wall: 7012.12, 0.00315985/step, 2.43853 hours remaining, 238.355469 MB of memory in use. ENERGY: 2221800 4004.3149 20678.2516 14466.7146 255.7148 -203523.9942 2571.6713 0.0000 0.0000 52411.3318 -109135.9950 301.2086 -161547.3269 -108772.7470 300.1903 -84.3853 -58.8582 762212.4308 11.3911 11.3173 PRESSURE: 2222000 -112.542 -193.443 -15.5733 -193.444 -271.758 -216.685 -15.5738 -216.685 -231.102 GPRESSURE: 2222000 -63.1564 -252.726 -1.33739 10.8378 -220.539 -241.196 -55.4844 -128.616 -258.182 PRESSAVG: 2222000 40.4214 -4.3566 3.56671 -4.3566 -56.3257 9.14081 3.56667 9.1408 43.646 GPRESSAVG: 2222000 39.8294 -3.79063 5.93414 -5.03016 -56.1706 8.63374 0.624644 9.20747 43.3178 TIMING: 2222000 CPU: 7012.76, 0.00318043/step Wall: 7012.76, 0.00318043/step, 2.45423 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2222000 4079.1601 20757.0352 14473.5689 246.7832 -203340.8057 2461.3396 0.0000 0.0000 52137.4756 -109185.4431 299.6348 -161322.9187 -108832.0234 300.0809 -205.1340 -180.6257 762029.8788 9.2472 8.9922 PRESSURE: 2222200 156.491 -250.336 144.087 -250.337 -186.579 23.4701 144.087 23.4701 190.472 GPRESSURE: 2222200 173 -214.898 121.14 -214.979 -158.448 42.6124 219.616 94.2953 250.312 PRESSAVG: 2222200 40.7156 -17.1887 30.065 -17.1888 -30.5665 -27.439 30.065 -27.4389 -4.03031 GPRESSAVG: 2222200 41.236 -18.0359 31.4019 -19.309 -31.759 -26.3239 30.2392 -27.3563 -3.66473 TIMING: 2222200 CPU: 7013.4, 0.00318681/step Wall: 7013.4, 0.00318681/step, 2.45898 hours remaining, 238.355469 MB of memory in use. ENERGY: 2222200 3841.8547 20564.5358 14419.9175 249.5967 -203213.6327 2581.6038 0.0000 0.0000 52266.6913 -109289.4330 300.3774 -161556.1242 -108927.4516 300.0690 53.4617 88.2881 761348.0239 2.0396 1.9374 PRESSURE: 2222400 37.3381 -43.7072 88.4279 -43.7074 36.608 214.063 88.427 214.063 -112.104 GPRESSURE: 2222400 -9.26964 -74.0428 14.1447 -38.8298 100.14 188.003 201.93 259.467 -39.0222 PRESSAVG: 2222400 -5.46549 -30.1494 -9.15399 -30.1494 17.1477 -4.14735 -9.15398 -4.14731 9.54081 GPRESSAVG: 2222400 -5.84173 -29.951 -10.6592 -29.8254 18.1144 -4.27966 -8.38364 -4.8358 8.85074 TIMING: 2222400 CPU: 7014.03, 0.00316634/step Wall: 7014.03, 0.00316634/step, 2.44301 hours remaining, 238.355469 MB of memory in use. ENERGY: 2222400 3975.0934 20511.5450 14462.7594 240.5023 -203166.4410 2528.0080 0.0000 0.0000 52281.9519 -109166.5812 300.4651 -161448.5330 -108799.2978 300.1901 -12.7193 17.2827 761071.2484 7.0743 7.0411 PRESSURE: 2222600 -55.7137 161.421 -134.456 161.421 -208.396 -122.492 -134.455 -122.492 20.0123 GPRESSURE: 2222600 41.0388 174.967 -235.986 217.134 -235.068 -88.1861 -10.7775 -262.144 15.2901 PRESSAVG: 2222600 47.8904 -6.80659 -26.7175 -6.8066 -29.2877 76.6801 -26.7174 76.68 -8.34285 GPRESSAVG: 2222600 47.7363 -5.57493 -25.1219 -5.5866 -29.4488 76.7446 -26.4667 75.884 -7.71433 TIMING: 2222600 CPU: 7014.66, 0.00317889/step Wall: 7014.66, 0.00317889/step, 2.45251 hours remaining, 238.355469 MB of memory in use. ENERGY: 2222600 4026.1148 20610.9278 14422.8176 257.6102 -203377.6000 2545.6071 0.0000 0.0000 52192.6200 -109321.9025 299.9517 -161514.5225 -108960.4829 299.9428 -81.3659 -59.5798 760377.4831 3.4199 3.5244 PRESSURE: 2222800 53.1558 -46.811 -38.1242 -46.8109 -290.289 -170.936 -38.1244 -170.936 64.9667 GPRESSURE: 2222800 94.3098 62.866 -106.544 -43.8875 -298.19 -154.843 -139.438 -223.157 129.504 PRESSAVG: 2222800 42.3298 -46.724 -57.7845 -46.7241 -35.2043 -9.02581 -57.7845 -9.02584 11.2193 GPRESSAVG: 2222800 43.0469 -46.8109 -58.9192 -48.1505 -36.2883 -9.25828 -55.0905 -8.93193 11.3605 TIMING: 2222800 CPU: 7015.3, 0.00315719/step Wall: 7015.3, 0.00315719/step, 2.4356 hours remaining, 238.355469 MB of memory in use. ENERGY: 2222800 4017.3835 20649.2176 14388.1717 245.6132 -203122.7890 2512.1179 0.0000 0.0000 52075.3508 -109234.9342 299.2778 -161310.2851 -108865.7999 299.9514 -57.3887 -24.7918 760530.6925 6.1150 6.0397 PRESSURE: 2223000 245.185 64.7017 1.5759 64.7013 -35.5901 24.9379 1.57649 24.9358 -151.011 GPRESSURE: 2223000 235.73 58.5771 14.7984 -53.5298 22.3065 67.4184 10.2325 65.335 -122.551 PRESSAVG: 2223000 11.3305 -30.3732 -45.5006 -30.3733 -52.7169 -34.7153 -45.5006 -34.7154 21.9616 GPRESSAVG: 2223000 10.3098 -32.3652 -46.2258 -28.48 -52.4089 -34.5819 -49.3969 -33.4819 22.4033 TIMING: 2223000 CPU: 7015.93, 0.00317076/step Wall: 7015.93, 0.00317076/step, 2.44589 hours remaining, 238.355469 MB of memory in use. ENERGY: 2223000 4024.4004 20387.6967 14408.7665 245.6142 -203511.3623 2631.4372 0.0000 0.0000 52426.6534 -109386.7939 301.2967 -161813.4473 -109018.6702 299.6202 19.5279 45.1620 759373.6879 -6.4749 -6.5653 PRESSURE: 2223200 115.363 149.365 143.918 149.365 339.868 -251.629 143.918 -251.629 335.118 GPRESSURE: 2223200 186.7 69.8337 197.372 182.045 323.832 -231.351 176.568 -239.743 349.132 PRESSAVG: 2223200 -7.53978 11.0872 -47.6134 11.0872 -33.2845 -26.0873 -47.6133 -26.0875 -3.50951 GPRESSAVG: 2223200 -7.72298 11.5615 -46.8745 11.1308 -32.8806 -24.9132 -45.605 -27.2743 -3.70015 TIMING: 2223200 CPU: 7016.56, 0.00316187/step Wall: 7016.56, 0.00316187/step, 2.43886 hours remaining, 238.355469 MB of memory in use. ENERGY: 2223200 3930.4959 20522.6979 14466.7801 263.5771 -203628.8812 2910.3129 0.0000 0.0000 52226.1506 -109308.8667 300.1444 -161535.0173 -108949.0536 299.7727 263.4499 286.5547 760440.6755 -14.7779 -14.7679 PRESSURE: 2223400 245.603 -53.5569 -244.981 -53.5564 -334.008 110.553 -244.98 110.554 129.62 GPRESSURE: 2223400 245.673 -63.7558 -216.869 -130.881 -303.262 103.895 -271.223 254.335 190.579 PRESSAVG: 2223400 44.0607 46.9764 -18.469 46.9764 -31.8842 -2.37273 -18.469 -2.37263 -16.0718 GPRESSAVG: 2223400 45.1985 46.0084 -17.5744 48.4967 -32.5085 -4.77561 -20.7306 -0.213342 -16.4782 TIMING: 2223400 CPU: 7017.2, 0.0031713/step Wall: 7017.2, 0.0031713/step, 2.44596 hours remaining, 238.355469 MB of memory in use. ENERGY: 2223400 3917.0869 20644.2563 14474.2025 272.8836 -203365.8070 2461.7763 0.0000 0.0000 52095.7712 -109499.8303 299.3951 -161595.6014 -109140.5924 299.3760 13.7384 44.3299 760816.6015 -1.2984 -1.2627 PRESSURE: 2223600 22.2658 244.623 13.9792 244.623 -486.881 56.0882 13.9786 56.0901 55.106 GPRESSURE: 2223600 53.2529 345.65 129.386 154.007 -365.658 124.603 -9.46104 16.1016 -6.24259 PRESSAVG: 2223600 75.0993 12.6191 -70.4134 12.6192 -60.5561 23.8596 -70.4134 23.8597 14.915 GPRESSAVG: 2223600 74.5968 14.1067 -70.671 9.90199 -59.3953 26.3342 -69.4498 22.5094 13.8531 TIMING: 2223600 CPU: 7017.83, 0.00316838/step Wall: 7017.83, 0.00316838/step, 2.44352 hours remaining, 238.355469 MB of memory in use. ENERGY: 2223600 3979.7260 20566.4463 14461.2130 247.1123 -203477.5378 2566.2913 0.0000 0.0000 52254.4672 -109402.2817 300.3071 -161656.7489 -109039.9317 299.6363 -136.5031 -106.2159 759280.5986 9.8194 9.6848 PRESSURE: 2223800 240.495 -274.537 41.1541 -274.537 -25.697 137.732 41.1545 137.731 -214.253 GPRESSURE: 2223800 219.568 -209.835 -38.1097 -325.079 10.6939 25.0973 20.056 53.2515 -162.963 PRESSAVG: 2223800 31.2511 15.0116 12.3064 15.0117 -24.4194 -61.0999 12.3064 -61.0998 5.08599 GPRESSAVG: 2223800 31.817 15.9404 10.8471 16.8012 -25.786 -62.3613 12.5914 -61.9656 5.59218 TIMING: 2223800 CPU: 7018.46, 0.00317475/step Wall: 7018.46, 0.00317475/step, 2.44826 hours remaining, 238.355469 MB of memory in use. ENERGY: 2223800 4031.0577 20655.5218 14524.8019 261.1832 -203288.4240 2500.6959 0.0000 0.0000 52269.9643 -109045.1992 300.3962 -161315.1635 -108680.5032 300.1270 0.1815 22.4333 759755.7483 3.9726 3.8744 PRESSURE: 2224000 69.1111 -27.9222 -67.4169 -27.9224 4.2651 -263.638 -67.4165 -263.64 359.331 GPRESSURE: 2224000 135.083 35.9843 -52.1806 106.801 55.8452 -239.419 -6.85937 -321.705 324.403 PRESSAVG: 2224000 15.4729 4.50176 17.4735 4.50178 -8.94006 -46.6538 17.4735 -46.6538 -0.0845276 GPRESSAVG: 2224000 15.7071 2.70053 18.9315 4.98453 -8.46553 -46.6862 16.5651 -44.4292 -0.785996 TIMING: 2224000 CPU: 7019.09, 0.00314363/step Wall: 7019.09, 0.00314363/step, 2.42409 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2224000 4016.9002 20670.2945 14438.5093 255.2014 -203008.0838 2364.2257 0.0000 0.0000 52358.4519 -108904.5008 300.9047 -161262.9527 -108536.4208 300.7533 144.2358 171.7770 760597.9443 2.1494 2.1518 PRESSURE: 2224200 101.426 92.4222 -69.8125 92.4217 -131.225 2.60266 -69.8122 2.60171 -351.838 GPRESSURE: 2224200 68.6895 91.872 -97.0297 58.969 -47.5864 28.0264 -86.0535 5.01594 -300.175 PRESSAVG: 2224200 48.9829 18.0162 31.3773 18.0163 -27.4319 11.4039 31.3773 11.4039 -9.2046 GPRESSAVG: 2224200 48.2145 20.9905 29.4707 18.5725 -26.8421 13.4179 34.6183 8.50293 -8.50595 TIMING: 2224200 CPU: 7019.73, 0.00320264/step Wall: 7019.73, 0.00320264/step, 2.46941 hours remaining, 238.355469 MB of memory in use. ENERGY: 2224200 4021.7298 20534.7829 14488.3865 226.1287 -202841.7439 2265.3302 0.0000 0.0000 52349.0049 -108956.3809 300.8505 -161305.3858 -108589.5772 300.2951 -127.2123 -93.0239 761137.4618 4.1155 4.2888 LDB: ============= START OF LOAD BALANCING ============== 7032.13 LDB: ============== END OF LOAD BALANCING =============== 7032.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7032.14 LDB: ============= START OF LOAD BALANCING ============== 7032.45 LDB: Largest compute 7075 load 0.034740 is 17.7% of average load 0.195895 LDB: Average compute 0.004386 is 2.2% of average load 0.195895 LDB: TIME 7032.46 LOAD: AVG 0.195895 MAX 0.215954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 7032.46 LOAD: AVG 0.195895 MAX 0.215954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.988 MB LDB: TIME 7032.46 LOAD: AVG 0.195895 MAX 0.215954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.988 MB LDB: ============== END OF LOAD BALANCING =============== 7032.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7032.47 PRESSURE: 2224400 368.913 1.46695 118.364 1.46659 173.994 -54.7602 118.364 -54.7604 -3.90436 GPRESSURE: 2224400 371.59 2.30175 128.073 2.57183 141.106 -44.3434 9.7156 -101.875 100.18 PRESSAVG: 2224400 37.0024 5.5648 -21.706 5.56482 -30.0182 1.56809 -21.706 1.56807 12.9474 GPRESSAVG: 2224400 37.5439 5.52734 -19.3108 4.18536 -30.5705 0.356194 -24.3277 1.99839 13.0285 TIMING: 2224400 CPU: 7020.38, 0.00325139/step Wall: 7020.38, 0.00325139/step, 2.50682 hours remaining, 237.699219 MB of memory in use. ENERGY: 2224400 3996.0014 20653.0451 14427.0427 253.3770 -203373.1829 2691.5965 0.0000 0.0000 52252.6367 -109099.4835 300.2966 -161352.1202 -108727.5321 300.2646 179.6675 204.2918 761637.8889 6.6438 6.6673 PRESSURE: 2224600 -155.592 268.974 -100.451 268.974 -178.55 40.6152 -100.451 40.6148 -194.898 GPRESSURE: 2224600 -108.705 268.325 -146.69 218.019 -120.879 79.9147 99.7435 158.07 -231.976 PRESSAVG: 2224600 53.9947 43.7329 4.9863 43.7329 -54.1816 10.2893 4.98635 10.2892 -4.60566 GPRESSAVG: 2224600 53.9012 40.8884 3.54737 46.3791 -53.5386 10.7134 5.87081 10.8194 -4.70635 TIMING: 2224600 CPU: 7021.02, 0.00318238/step Wall: 7021.02, 0.00318238/step, 2.45343 hours remaining, 237.699219 MB of memory in use. ENERGY: 2224600 4032.1064 20797.3575 14482.0614 243.9941 -203107.0810 2401.4839 0.0000 0.0000 52104.5749 -109045.5027 299.4457 -161150.0776 -108689.8816 300.4907 -176.3469 -153.8533 761247.2585 -1.5975 -1.4479 PRESSURE: 2224800 -53.5988 -10.9689 -92.9722 -10.9689 -293.386 -117.891 -92.972 -117.891 -286.195 GPRESSURE: 2224800 -72.458 -0.0509751 -115.397 74.488 -220.368 -69.624 -90.0161 -65.4898 -265.832 PRESSAVG: 2224800 80.8539 1.04646 -28.7713 1.04646 -79.19 -23.8707 -28.7713 -23.8707 -20.2743 GPRESSAVG: 2224800 80.8318 2.21409 -29.7421 0.170317 -79.4948 -25.0042 -29.8788 -22.4675 -19.9664 TIMING: 2224800 CPU: 7021.66, 0.00318394/step Wall: 7021.66, 0.00318394/step, 2.45446 hours remaining, 237.699219 MB of memory in use. ENERGY: 2224800 4047.1721 20569.9833 14475.6956 257.4077 -202607.4427 2277.9611 0.0000 0.0000 51902.1332 -109077.0897 298.2823 -160979.2229 -108720.8622 300.1462 -211.0601 -186.2192 761534.4718 -6.2035 -6.2098 PRESSURE: 2225000 -216.836 218.131 351.365 218.132 -53.9569 13.594 351.365 13.5932 84.7318 GPRESSURE: 2225000 -105.392 55.9887 235.047 242.486 -35.2239 41.611 309.687 -97.7046 59.1638 PRESSAVG: 2225000 45.9314 53.648 0.677461 53.6481 -25.8274 -11.3753 0.67744 -11.3753 15.28 GPRESSAVG: 2225000 46.2437 53.3328 0.822825 53.6997 -25.6982 -11.093 1.11513 -12.685 14.8587 TIMING: 2225000 CPU: 7022.3, 0.00320292/step Wall: 7022.3, 0.00320292/step, 2.46892 hours remaining, 237.699219 MB of memory in use. ENERGY: 2225000 4020.9965 20389.7221 14443.9579 236.6189 -202778.3887 2284.9161 0.0000 0.0000 52282.3399 -109119.8373 300.4673 -161402.1772 -108746.8947 300.3132 -62.0202 -27.1507 762416.5570 11.7947 11.8014 PRESSURE: 2225200 162.111 124.968 284.222 124.968 -329.71 141.931 284.222 141.93 -848.045 GPRESSURE: 2225200 119.356 136.858 253.43 125.12 -230.222 185.47 183.632 155.486 -833.807 PRESSAVG: 2225200 -8.76335 71.792 13.1874 71.792 -4.36733 -26.5517 13.1874 -26.5517 -30.8051 GPRESSAVG: 2225200 -9.85379 73.2466 15.2379 70.5822 -4.45348 -25.0095 13.4376 -25.9002 -30.0622 TIMING: 2225200 CPU: 7022.94, 0.00318987/step Wall: 7022.94, 0.00318987/step, 2.45868 hours remaining, 237.699219 MB of memory in use. ENERGY: 2225200 3977.1958 20515.6449 14357.2416 234.1686 -203145.5839 2566.4316 0.0000 0.0000 52106.1742 -109388.7272 299.4549 -161494.9014 -109019.0072 299.5338 -338.5478 -314.8910 762814.3021 -14.6453 -14.7898 PRESSURE: 2225400 286.336 -151.792 -59.0971 -151.791 222.893 -72.7998 -59.0969 -72.8 -21.4294 GPRESSURE: 2225400 340.043 -93.9953 -102.424 -98.4912 148.537 -76.9094 42.3839 -53.3685 70.4427 PRESSAVG: 2225400 6.31119 11.0851 60.2863 11.085 -1.83024 34.3275 60.2864 34.3275 10.4485 GPRESSAVG: 2225400 7.26218 10.435 60.3328 11.969 -2.5055 31.6722 60.3732 33.4086 9.78343 TIMING: 2225400 CPU: 7023.57, 0.00319361/step Wall: 7023.57, 0.00319361/step, 2.46138 hours remaining, 237.699219 MB of memory in use. ENERGY: 2225400 4063.2469 20456.3949 14440.6611 247.5709 -203726.0547 2852.3182 0.0000 0.0000 52296.3903 -109369.4723 300.5481 -161665.8627 -109005.3619 299.2625 162.5999 186.3409 759885.8731 4.9765 4.8467 PRESSURE: 2225600 -276.348 -11.2475 98.4339 -11.2467 -110.296 -308.175 98.4326 -308.175 91.9308 GPRESSURE: 2225600 -249.14 -34.313 15.5178 -135.293 -34.9846 -184.858 252.986 -288.678 77.3327 PRESSAVG: 2225600 62.3541 -32.6112 64.0376 -32.6113 -41.7551 -24.9439 64.0376 -24.9439 16.8689 GPRESSAVG: 2225600 61.3319 -32.9858 62.6104 -32.6206 -41.6685 -23.3378 63.9093 -23.6456 17.8508 TIMING: 2225600 CPU: 7024.21, 0.00319147/step Wall: 7024.21, 0.00319147/step, 2.45956 hours remaining, 237.699219 MB of memory in use. ENERGY: 2225600 4040.5218 20625.0814 14367.5289 255.7489 -203464.0383 2772.5260 0.0000 0.0000 52077.8421 -109324.7892 299.2921 -161402.6313 -108961.9628 299.9150 -98.2379 -68.9305 763417.6545 12.4893 12.5048 PRESSURE: 2225800 -58.6931 40.7542 324.81 40.7539 -242.885 40.4416 324.809 40.442 -290.959 GPRESSURE: 2225800 -30.1555 157.378 303.233 -82.9779 -222.265 -37.6004 325.158 16.7881 -247.277 PRESSAVG: 2225800 -1.04668 -21.0362 -11.1331 -21.0363 -58.5742 16.5026 -11.1331 16.5026 6.74765 GPRESSAVG: 2225800 0.68598 -21.7559 -9.95076 -20.2484 -59.9268 15.8295 -10.8688 15.5566 6.29099 TIMING: 2225800 CPU: 7024.85, 0.00317109/step Wall: 7024.85, 0.00317109/step, 2.44368 hours remaining, 237.699219 MB of memory in use. ENERGY: 2225800 4011.7258 20523.4016 14473.2805 248.6186 -203126.7184 2352.8120 0.0000 0.0000 52055.1320 -109461.7479 299.1616 -161516.8799 -109097.9019 299.6143 -197.5123 -166.5657 763512.8968 -17.6244 -17.6499 PRESSURE: 2226000 -220.545 -24.142 -78.1035 -24.1419 318.91 74.2986 -78.1029 74.2988 362.032 GPRESSURE: 2226000 -162.112 51.0674 -110.013 -3.67176 320.958 48.3018 -103.419 18.6884 389.563 PRESSAVG: 2226000 26.2186 -35.9759 -4.67353 -35.9759 -37.7325 -19.4108 -4.67353 -19.4108 -12.6724 GPRESSAVG: 2226000 24.4793 -35.878 -5.68618 -36.5555 -37.1797 -20.6258 -4.74741 -19.1943 -12.1308 TIMING: 2226000 CPU: 7025.48, 0.0031651/step Wall: 7025.48, 0.00316509/step, 2.43888 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2226000 3965.7811 20490.8512 14383.1942 251.3827 -203492.8511 2775.3374 0.0000 0.0000 52193.4681 -109432.8363 299.9566 -161626.3044 -109067.1053 299.2683 153.4654 182.8028 762684.0244 -8.0621 -8.2771 PRESSURE: 2226200 -30.9137 340.267 -140.147 340.268 -347.452 -120.982 -140.147 -120.981 26.8862 GPRESSURE: 2226200 -14.3192 236.275 -185.944 365.642 -272.428 -106.365 -125.092 -65.5828 33.9468 PRESSAVG: 2226200 -35.8149 -22.5706 -21.8965 -22.5706 26.6376 32.1899 -21.8965 32.1899 9.09772 GPRESSAVG: 2226200 -35.644 -20.5065 -21.7443 -23.0178 27.4914 32.8268 -21.7014 33.1363 7.91116 TIMING: 2226200 CPU: 7026.12, 0.00317857/step Wall: 7026.12, 0.00317857/step, 2.44909 hours remaining, 237.699219 MB of memory in use. ENERGY: 2226200 4071.2606 20520.4819 14467.9038 259.0395 -203258.4998 2710.8395 0.0000 0.0000 51939.9073 -109289.0672 298.4994 -161228.9745 -108925.6320 299.3713 -117.1597 -84.2669 762273.7315 -0.0265 -0.0805 PRESSURE: 2226400 217.325 43.3821 -7.49555 43.3818 112.976 54.2975 -7.49534 54.2974 362.847 GPRESSURE: 2226400 201.88 -35.9731 -60.6631 80.2662 184.091 10.7869 -49.7664 85.7381 403.653 PRESSAVG: 2226400 3.69798 -33.1726 -54.6659 -33.1726 -4.84597 41.5603 -54.6658 41.5603 12.8986 GPRESSAVG: 2226400 3.73869 -34.4234 -55.4723 -33.0006 -5.00267 43.1152 -54.5846 39.4446 12.1744 TIMING: 2226400 CPU: 7026.76, 0.00319441/step Wall: 7026.76, 0.00319441/step, 2.46112 hours remaining, 237.699219 MB of memory in use. ENERGY: 2226400 4007.7005 20496.7507 14408.7011 238.0923 -203431.9112 2813.1300 0.0000 0.0000 52043.3918 -109424.1448 299.0941 -161467.5366 -109061.9793 300.1563 231.0495 263.2081 761500.1087 3.9169 3.6368 PRESSURE: 2226600 -334.995 104.569 -60.3145 104.569 -52.231 3.82887 -60.3162 3.82849 -213.065 GPRESSURE: 2226600 -285.441 114.606 -14.7458 11.6561 -130.789 -60.5612 -48.9168 129.152 -106.828 PRESSAVG: 2226600 30.7928 -36.4666 14.3964 -36.4666 -5.45599 19.5092 14.3965 19.5091 0.410869 GPRESSAVG: 2226600 30.5119 -37.1021 14.7367 -38.6178 -5.76283 19.0022 14.9064 18.9027 1.15393 TIMING: 2226600 CPU: 7027.39, 0.00319257/step Wall: 7027.39, 0.00319257/step, 2.45952 hours remaining, 237.699219 MB of memory in use. ENERGY: 2226600 4058.0738 20447.7101 14402.4312 253.4604 -203296.9795 2658.0720 0.0000 0.0000 52040.6154 -109436.6168 299.0781 -161477.2322 -109069.7800 299.5134 -200.0970 -174.3528 760878.7169 8.5826 8.6343 PRESSURE: 2226800 -254.56 29.6675 -60.2145 29.6675 -362.377 -14.6517 -60.2146 -14.6517 -137.161 GPRESSURE: 2226800 -144.8 21.997 -60.4848 75.9261 -362.958 -51.7233 -24.7729 39.5703 -145.018 PRESSAVG: 2226800 40.8333 -59.9582 -29.4422 -59.9583 -1.3727 -22.3606 -29.4422 -22.3604 5.3847 GPRESSAVG: 2226800 41.9572 -61.1718 -29.7132 -58.6836 -1.86344 -21.4276 -31.3442 -22.3764 5.26395 TIMING: 2226800 CPU: 7028.03, 0.00317523/step Wall: 7028.03, 0.00317523/step, 2.44598 hours remaining, 237.699219 MB of memory in use. ENERGY: 2226800 3956.5456 20485.3509 14449.6525 244.6508 -203113.2799 2399.0082 0.0000 0.0000 52089.6685 -109488.4034 299.3600 -161578.0719 -109126.5948 299.1432 -251.3658 -217.5919 760778.9033 14.9484 15.1192 PRESSURE: 2227000 66.303 -276.741 130.808 -276.741 1.51514 -38.2771 130.808 -38.2775 13.232 GPRESSURE: 2227000 137.562 -216.975 147.525 -191.449 -14.4131 -115.296 159.088 -24.3192 25.544 PRESSAVG: 2227000 -1.3592 -66.4277 -27.4686 -66.4277 -35.6564 -3.46867 -27.4686 -3.4687 -3.04021 GPRESSAVG: 2227000 -0.550479 -66.073 -27.2564 -65.6369 -36.8669 -3.79559 -26.7889 -4.49488 -3.00646 TIMING: 2227000 CPU: 7028.66, 0.00316513/step Wall: 7028.66, 0.00316513/step, 2.43803 hours remaining, 237.699219 MB of memory in use. ENERGY: 2227000 4004.6488 20543.0645 14441.8339 249.8535 -203133.0748 2375.2874 0.0000 0.0000 51870.0287 -109648.3582 298.0978 -161518.3868 -109293.0673 299.0331 27.0167 49.5643 761871.9676 -13.3519 -13.4746 PRESSURE: 2227200 411.6 43.3087 -42.8812 43.3081 118.516 124.187 -42.8812 124.187 299.282 GPRESSURE: 2227200 441.957 6.75755 14.6578 90.0046 216.195 98.9282 -57.9963 177.219 245.006 PRESSAVG: 2227200 13.3601 -8.91805 27.7774 -8.91807 -31.0109 28.3084 27.7774 28.3083 8.20573 GPRESSAVG: 2227200 12.225 -8.35004 27.7387 -8.09864 -29.7972 25.9749 29.0042 30.0543 7.88235 TIMING: 2227200 CPU: 7029.3, 0.00316869/step Wall: 7029.3, 0.00316869/step, 2.4406 hours remaining, 237.699219 MB of memory in use. ENERGY: 2227200 4013.7506 20566.0882 14349.8931 249.4755 -203424.2392 2829.3442 0.0000 0.0000 51838.8311 -109576.8565 297.9185 -161415.6876 -109212.2286 298.6001 276.4659 301.0528 760784.0356 -3.1483 -3.2300 PRESSURE: 2227400 -85.9018 -3.67515 122.307 -3.67488 -359.75 -84.7124 122.307 -84.7125 36.3725 GPRESSURE: 2227400 -67.2462 12.9025 117.687 -24.7524 -288.605 -128.035 18.7005 -35.8095 35.5801 PRESSAVG: 2227400 19.6121 33.8621 27.3476 33.8621 2.14733 -14.9089 27.3477 -14.9089 11.3056 GPRESSAVG: 2227400 19.5057 35.6466 28.7962 32.0181 1.56168 -13.777 24.6756 -13.9434 12.2825 TIMING: 2227400 CPU: 7029.94, 0.00321437/step Wall: 7029.94, 0.00321437/step, 2.4756 hours remaining, 237.699219 MB of memory in use. ENERGY: 2227400 4031.1349 20555.3566 14425.2046 257.8351 -203562.2387 2686.9773 0.0000 0.0000 51988.8275 -109616.9027 298.7805 -161605.7303 -109265.1205 298.8968 -136.4265 -106.7571 761125.3013 11.0217 11.1166 PRESSURE: 2227600 -34.0146 35.7165 97.4768 35.7151 69.4175 -17.6541 97.4776 -17.6534 -321.031 GPRESSURE: 2227600 -10.4942 158.674 74.1931 -4.2707 43.7924 -5.08854 67.0776 -114.183 -237.269 PRESSAVG: 2227600 58.5533 50.4407 1.93349 50.4407 -73.4078 -30.6563 1.93347 -30.6564 -20.4043 GPRESSAVG: 2227600 58.1327 49.6893 1.85595 52.0799 -72.889 -30.0893 2.6868 -33.9534 -20.3796 TIMING: 2227600 CPU: 7030.58, 0.00320349/step Wall: 7030.58, 0.00320349/step, 2.46704 hours remaining, 237.699219 MB of memory in use. ENERGY: 2227600 4017.3376 20666.2559 14519.8397 251.5992 -203145.9431 2349.4469 0.0000 0.0000 51796.6550 -109544.8087 297.6761 -161341.4638 -109195.0151 299.0537 -95.2093 -67.9904 761063.2136 -11.7529 -11.7120 PRESSURE: 2227800 276.11 -174.241 -11.2867 -174.24 -211.858 -101.244 -11.2868 -101.244 214.988 GPRESSURE: 2227800 299.279 -216.639 34.9119 -144.33 -145.89 20.6024 -1.82287 -238.76 235.226 PRESSAVG: 2227800 54.337 5.85156 40.0561 5.85153 -40.9068 -2.92691 40.0561 -2.92684 24.3109 GPRESSAVG: 2227800 54.1687 7.20584 39.1358 3.86937 -41.493 -3.36474 41.1902 1.45439 24.7915 TIMING: 2227800 CPU: 7031.22, 0.00322172/step Wall: 7031.22, 0.00322172/step, 2.4809 hours remaining, 237.699219 MB of memory in use. ENERGY: 2227800 3979.6604 20410.7020 14465.8605 255.6310 -203270.4282 2649.0487 0.0000 0.0000 51870.8234 -109638.7022 298.1023 -161509.5256 -109274.8728 299.4309 93.0800 129.5384 761335.6425 12.5804 12.4891 PRESSURE: 2228000 25.2179 21.1315 -16.1497 21.1318 119.173 27.7993 -16.1492 27.7994 -39.5354 GPRESSURE: 2228000 45.9754 -45.5134 -16.2444 9.13385 208.488 -0.497219 39.2709 -15.6358 -81.4257 PRESSAVG: 2228000 48.2804 -41.3257 -11.7393 -41.3257 -78.6935 34.1397 -11.7394 34.1396 -28.8297 GPRESSAVG: 2228000 48.0604 -43.6306 -10.7163 -40.3002 -77.4422 33.0902 -12.9878 32.193 -30.1665 TIMING: 2228000 CPU: 7031.87, 0.00323373/step Wall: 7031.87, 0.00323373/step, 2.48997 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2228000 4001.4959 20454.4248 14526.9333 260.2153 -203796.2481 2672.8422 0.0000 0.0000 52229.5779 -109650.7587 300.1641 -161880.3366 -109285.7379 299.0042 34.9517 57.6792 760590.9706 -19.7476 -19.8495 PRESSURE: 2228200 -356.584 -3.26721 337.078 -3.2669 -112.658 -296.959 337.078 -296.959 122.348 GPRESSURE: 2228200 -213.588 62.578 284.464 46.932 -119.052 -425.43 167.845 -112.148 78.472 PRESSAVG: 2228200 -9.55466 36.729 19.6988 36.729 -12.345 26.3355 19.6988 26.3355 5.60251 GPRESSAVG: 2228200 -8.39931 37.3877 18.54 36.4243 -13.8706 27.8783 19.0842 26.3118 6.23755 TIMING: 2228200 CPU: 7032.5, 0.00317294/step Wall: 7032.5, 0.00317294/step, 2.44298 hours remaining, 237.699219 MB of memory in use. ENERGY: 2228200 4027.3230 20657.1631 14442.7700 244.1335 -203464.6422 2659.9279 0.0000 0.0000 51812.8574 -109620.4672 297.7692 -161433.3246 -109273.5312 299.2372 -115.6311 -84.7227 761210.4230 -5.4324 -5.3441 LDB: ============= START OF LOAD BALANCING ============== 7044.91 LDB: ============== END OF LOAD BALANCING =============== 7044.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7044.91 LDB: ============= START OF LOAD BALANCING ============== 7045.23 LDB: Largest compute 7066 load 0.036948 is 18.9% of average load 0.195905 LDB: Average compute 0.004387 is 2.2% of average load 0.195905 LDB: TIME 7045.23 LOAD: AVG 0.195905 MAX 0.217728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.785 MB LDB: TIME 7045.23 LOAD: AVG 0.195905 MAX 0.217728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.988 MB LDB: TIME 7045.23 LOAD: AVG 0.195905 MAX 0.217728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.988 MB LDB: ============== END OF LOAD BALANCING =============== 7045.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7045.24 PRESSURE: 2228400 -56.6825 -53.4191 -236.463 -53.4186 -194.863 106.103 -236.464 106.103 -166.975 GPRESSURE: 2228400 -35.7215 -103.751 -163.644 -86.1075 -230.372 164.588 -215.111 -68.6569 -64.7599 PRESSAVG: 2228400 27.9105 -44.9915 -27.8705 -44.9915 6.89647 -2.61191 -27.8705 -2.61185 15.4305 GPRESSAVG: 2228400 27.2559 -44.1147 -27.6434 -44.1824 7.50382 -3.50622 -25.4171 -2.21355 16.0114 TIMING: 2228400 CPU: 7033.16, 0.00326167/step Wall: 7033.16, 0.00326167/step, 2.51112 hours remaining, 238.472656 MB of memory in use. ENERGY: 2228400 3975.3848 20553.4113 14430.2293 241.5179 -203299.7375 2407.7274 0.0000 0.0000 52119.1897 -109572.2771 299.5297 -161691.4668 -109207.3462 299.0262 -139.5068 -110.2846 759765.5713 16.7458 16.9237 PRESSURE: 2228600 -273.088 -28.7223 -94.1592 -28.7234 -74.5107 -112.005 -94.1596 -112.004 192.019 GPRESSURE: 2228600 -273.25 43.6041 -87.987 -64.5423 18.6726 -78.0946 66.8973 -138.953 190.735 PRESSAVG: 2228600 17.1321 32.5809 4.36561 32.5809 -7.77869 68.9318 4.36567 68.9318 19.4034 GPRESSAVG: 2228600 16.7758 31.6904 4.66379 32.9873 -7.23321 70.1609 3.55202 67.8839 19.0287 TIMING: 2228600 CPU: 7033.8, 0.00320758/step Wall: 7033.8, 0.00320758/step, 2.4693 hours remaining, 238.472656 MB of memory in use. ENERGY: 2228600 3990.7305 20613.6742 14439.1626 259.0510 -203410.0898 2467.0169 0.0000 0.0000 51985.1666 -109655.2880 298.7595 -161640.4546 -109293.4580 299.5206 -51.8597 -21.2808 760068.4027 9.5856 9.5238 PRESSURE: 2228800 274.775 89.0924 58.98 89.0927 -68.6843 -40.5363 58.9788 -40.5361 -189.017 GPRESSURE: 2228800 214.093 75.5345 17.4463 196.208 49.8311 21.6759 107.922 50.0113 -160.379 PRESSAVG: 2228800 39.553 0.705818 6.27054 0.70576 5.58598 -21.4154 6.27049 -21.4155 -8.67566 GPRESSAVG: 2228800 39.3201 1.59349 7.20214 -0.355003 5.52715 -22.5339 4.20429 -18.4047 -8.62377 TIMING: 2228800 CPU: 7034.44, 0.00321168/step Wall: 7034.44, 0.00321169/step, 2.47228 hours remaining, 238.472656 MB of memory in use. ENERGY: 2228800 4025.5653 20453.0122 14461.0024 247.8427 -203598.2221 2608.6301 0.0000 0.0000 52055.6726 -109746.4969 299.1647 -161802.1695 -109387.1413 299.1417 5.6912 34.5149 760523.5594 12.1545 12.0745 PRESSURE: 2229000 107.987 -163.275 -147.918 -163.275 -74.1913 104.67 -147.918 104.669 32.8506 GPRESSURE: 2229000 125.947 -98.4524 -122.528 -117.505 -111.316 166.136 9.39305 13.4425 150.135 PRESSAVG: 2229000 -0.740973 17.8721 59.0651 17.872 18.6001 34.8706 59.0651 34.8707 12.856 GPRESSAVG: 2229000 -0.453904 17.1543 57.5394 19.0698 19.6999 35.6243 61.0873 33.3445 11.9378 TIMING: 2229000 CPU: 7035.09, 0.00326478/step Wall: 7035.09, 0.00326478/step, 2.51297 hours remaining, 238.472656 MB of memory in use. ENERGY: 2229000 3969.9897 20586.0527 14515.4508 237.2025 -203377.2685 2639.8108 0.0000 0.0000 51898.4802 -109530.2818 298.2613 -161428.7620 -109173.9922 299.1095 22.2154 54.9219 759824.2904 10.2384 10.3946 PRESSURE: 2229200 178.971 -35.8259 -205.439 -35.8254 80.0314 139.812 -205.438 139.812 -50.2039 GPRESSURE: 2229200 138.964 -27.4254 -120.31 -80.9851 173.055 118.187 -177.472 32.4042 -9.47395 PRESSAVG: 2229200 24.8812 -0.85257 20.2499 -0.8526 -23.2386 -17.5687 20.2499 -17.5687 9.92861 GPRESSAVG: 2229200 25.0278 -1.40276 20.6941 -1.60489 -23.4621 -16.9165 20.5833 -19.6858 10.2662 TIMING: 2229200 CPU: 7035.74, 0.00325208/step Wall: 7035.74, 0.00325208/step, 2.50302 hours remaining, 238.472656 MB of memory in use. ENERGY: 2229200 4017.6553 20403.7851 14471.3199 255.8170 -203790.1589 2601.9921 0.0000 0.0000 52402.5709 -109637.0187 301.1583 -162039.5896 -109271.4326 299.0212 69.5995 100.8483 760418.1147 3.8571 3.9440 PRESSURE: 2229400 310.349 152.905 118.692 152.904 184.881 -47.6759 118.693 -47.6758 -80.0476 GPRESSURE: 2229400 342.167 133.63 171.072 156.279 238.068 -0.635287 -29.7207 -97.2856 -105.346 PRESSAVG: 2229400 42.4863 -25.5378 28.7531 -25.5378 -7.41267 -29.5453 28.7531 -29.5453 -5.10613 GPRESSAVG: 2229400 43.0985 -23.4607 30.1032 -24.1615 -8.17216 -30.6878 27.7177 -28.2584 -4.83285 TIMING: 2229400 CPU: 7036.38, 0.00319017/step Wall: 7036.38, 0.00319017/step, 2.45519 hours remaining, 238.472656 MB of memory in use. ENERGY: 2229400 4037.9108 20696.4043 14435.9718 232.9043 -203431.9258 2473.4488 0.0000 0.0000 51932.9905 -109622.2952 298.4596 -161555.2857 -109264.3466 299.4645 138.3941 158.2959 760134.0744 9.9892 10.0312 PRESSURE: 2229600 329.98 25.4969 268.438 25.4967 -27.7193 153.641 268.437 153.641 282.404 GPRESSURE: 2229600 342.127 -54.723 118.991 -84.996 48.676 105.16 353.969 57.5849 280.908 PRESSAVG: 2229600 13.9327 16.3416 51.3254 16.3416 2.3023 -52.3672 51.3254 -52.3673 0.422226 GPRESSAVG: 2229600 14.0508 13.2933 49.1824 13.4426 2.69941 -52.0676 49.7723 -53.9017 0.227955 TIMING: 2229600 CPU: 7037.02, 0.00321079/step Wall: 7037.02, 0.00321079/step, 2.47088 hours remaining, 238.472656 MB of memory in use. ENERGY: 2229600 3999.4675 20489.9218 14490.4922 245.8905 -203729.2746 2741.7597 0.0000 0.0000 52084.6311 -109677.1119 299.3311 -161761.7430 -109315.0888 298.9655 194.8884 223.9037 759261.2071 5.5524 5.6594 PRESSURE: 2229800 -100.516 258.729 25.1152 258.729 -3.55869 250.903 25.1156 250.903 101.462 GPRESSURE: 2229800 -38.3266 171.95 7.00807 262.86 34.7172 223.182 82.0145 255.564 106.831 PRESSAVG: 2229800 -3.1377 -46.637 48.7841 -46.637 25.7118 48.915 48.7841 48.915 8.30768 GPRESSAVG: 2229800 -3.11604 -45.1343 46.7038 -44.8275 25.2776 48.9882 52.688 50.2892 8.76124 TIMING: 2229800 CPU: 7037.66, 0.00318991/step Wall: 7037.66, 0.00318991/step, 2.45464 hours remaining, 238.472656 MB of memory in use. ENERGY: 2229800 3997.9296 20558.4429 14320.6271 260.8934 -203829.9895 2963.6297 0.0000 0.0000 52012.0769 -109716.3899 298.9141 -161728.4667 -109348.8736 298.9521 -0.8711 34.4073 759953.6504 10.2939 10.3076 PRESSURE: 2230000 43.8271 -313.481 186.621 -313.481 -320.461 267.002 186.621 267.002 -116.625 GPRESSURE: 2230000 66.046 -220.731 215.808 -340.297 -234.66 366.289 134.794 250.112 -131.31 PRESSAVG: 2230000 28.0045 41.2709 35.0774 41.2709 -1.47973 27.8192 35.0774 27.8192 14.8571 GPRESSAVG: 2230000 28.7145 41.9337 37.7879 39.7852 -2.01233 26.6512 30.6787 27.1426 14.9921 TIMING: 2230000 CPU: 7038.3, 0.00317486/step Wall: 7038.3, 0.00317486/step, 2.44288 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2230000 4016.6837 20484.7774 14408.0360 237.0013 -203092.0893 2288.2301 0.0000 0.0000 51989.6479 -109667.7129 298.7852 -161657.3608 -109302.0802 298.9077 -131.0861 -99.9746 760538.5236 13.7940 13.8981 PRESSURE: 2230200 -262.981 52.0962 38.1438 52.096 -353.726 86.6971 38.144 86.6977 -460.697 GPRESSURE: 2230200 -208.414 101.277 71.882 91.2459 -291.329 150.515 24.5614 110.009 -480.649 PRESSAVG: 2230200 38.4876 11.8503 37.1551 11.8502 -57.3636 56.8341 37.1551 56.8341 -4.04317 GPRESSAVG: 2230200 37.5664 11.5888 36.8503 11.9603 -56.7555 55.5645 41.0209 58.8023 -3.81187 TIMING: 2230200 CPU: 7038.93, 0.00317451/step Wall: 7038.93, 0.00317451/step, 2.44243 hours remaining, 238.472656 MB of memory in use. ENERGY: 2230200 4078.9490 20418.1838 14438.3464 253.7860 -203064.6085 2128.8941 0.0000 0.0000 52146.6575 -109599.7918 299.6876 -161746.4493 -109250.9318 299.1220 -359.1347 -326.7975 761034.1865 -7.6397 -7.6670 PRESSURE: 2230400 188.006 97.5618 1.44773 97.5619 88.9521 79.9253 1.44737 79.9253 130.167 GPRESSURE: 2230400 271.332 191.229 -38.6825 157.299 75.6523 74.9091 -58.6797 100.363 136.622 PRESSAVG: 2230400 36.268 -3.84801 65.3781 -3.84805 -52.5882 29.7732 65.3781 29.7733 -9.69595 GPRESSAVG: 2230400 37.3574 -3.19093 63.9342 -3.66562 -53.7215 30.9122 65.5355 27.9917 -9.82015 TIMING: 2230400 CPU: 7039.57, 0.00318836/step Wall: 7039.57, 0.00318836/step, 2.45291 hours remaining, 238.472656 MB of memory in use. ENERGY: 2230400 4079.7812 20542.5603 14520.1248 248.0116 -203578.7710 2652.6029 0.0000 0.0000 52103.8171 -109431.8731 299.4414 -161535.6902 -109069.3250 299.3249 135.7084 161.2022 759406.3254 -8.6720 -8.7281 PRESSURE: 2230600 465.117 -76.2904 -100.391 -76.2913 -253.56 -78.8259 -100.393 -78.8266 66.2626 GPRESSURE: 2230600 441.259 -71.8469 -169.882 -144.497 -199.781 -14.587 -101.343 -26.0068 118.131 PRESSAVG: 2230600 23.9264 16.9548 -11.2878 16.9547 40.3799 33.0018 -11.2879 33.0019 20.1956 GPRESSAVG: 2230600 22.6433 16.7502 -8.46368 15.9605 42.7334 33.9033 -14.1938 33.2719 19.7206 TIMING: 2230600 CPU: 7040.2, 0.00316934/step Wall: 7040.2, 0.00316934/step, 2.43811 hours remaining, 238.472656 MB of memory in use. ENERGY: 2230600 3995.1762 20598.2960 14430.5676 239.1704 -202920.3663 2383.8007 0.0000 0.0000 52000.6549 -109272.7005 298.8485 -161273.3554 -108917.0356 299.2780 92.6064 119.8697 761087.2888 28.1673 28.3658 PRESSURE: 2230800 -31.8518 34.8763 -23.7875 34.8773 -91.4906 -172.882 -23.7877 -172.882 258.624 GPRESSURE: 2230800 94.6888 -53.4965 -99.4938 78.7361 -61.4662 -150.022 119.013 -245.584 182.59 PRESSAVG: 2230800 19.4981 -39.0429 58.0834 -39.0429 -11.4363 36.0873 58.0834 36.0872 -19.7285 GPRESSAVG: 2230800 19.9595 -39.1561 56.6523 -39.4053 -13.9511 35.2639 59.6066 36.6371 -17.8416 TIMING: 2230800 CPU: 7040.84, 0.00317632/step Wall: 7040.84, 0.00317632/step, 2.4433 hours remaining, 238.472656 MB of memory in use. ENERGY: 2230800 3991.0406 20516.7757 14485.9757 234.7282 -202931.6177 2226.4757 0.0000 0.0000 52258.4368 -109218.1850 300.3300 -161476.6218 -108854.1519 299.4595 45.0940 71.9374 759576.1640 -3.8889 -3.9444 PRESSURE: 2231000 -68.2272 -56.6522 -175.66 -56.652 7.37856 140.003 -175.66 140.004 31.7758 GPRESSURE: 2231000 -75.6721 -102.097 -206.141 -37.8525 83.1549 221.135 -116.092 21.7734 42.1514 PRESSAVG: 2231000 -33.8709 -7.91133 0.549551 -7.91139 10.2227 21.5911 0.549525 21.5911 16.5012 GPRESSAVG: 2231000 -34.625 -8.32157 1.18661 -7.47226 12.401 23.7361 1.30045 20.039 15.1405 TIMING: 2231000 CPU: 7041.48, 0.0031915/step Wall: 7041.48, 0.0031915/step, 2.4548 hours remaining, 238.472656 MB of memory in use. ENERGY: 2231000 4037.8108 20531.7143 14417.0288 251.8252 -203545.8296 2901.2277 0.0000 0.0000 52178.7416 -109227.4811 299.8719 -161406.2227 -108872.7141 299.4437 -9.6909 16.5448 758294.2178 -2.3823 -2.3612 PRESSURE: 2231200 3.29633 -36.9709 156.046 -36.9712 -91.6258 29.8133 156.046 29.8128 5.73488 GPRESSURE: 2231200 51.0869 -86.0939 17.1503 -4.81341 -126.786 14.0432 19.3461 15.2456 88.1319 PRESSAVG: 2231200 -59.1732 17.9909 65.7647 17.9909 -1.5699 1.78789 65.7648 1.78788 14.1887 GPRESSAVG: 2231200 -57.3522 18.7002 64.8607 19.4921 -3.2755 -0.406273 63.5073 2.56477 14.3906 TIMING: 2231200 CPU: 7042.12, 0.00320889/step Wall: 7042.12, 0.00320889/step, 2.46799 hours remaining, 238.472656 MB of memory in use. ENERGY: 2231200 4004.1275 20625.2486 14384.5977 226.5848 -202612.3247 2212.6095 0.0000 0.0000 51819.4872 -109339.6693 297.8073 -161159.1565 -108978.2819 299.6156 -27.5315 4.1441 762173.7288 -15.5181 -15.4124 PRESSURE: 2231400 -45.758 -136.825 -391.487 -136.825 -159.899 -109.949 -391.487 -109.949 37.5559 GPRESSURE: 2231400 -89.3845 -20.3542 -388.696 -131.415 -27.9913 -76.6256 -295.403 -117.705 33.5155 PRESSAVG: 2231400 25.9261 -39.0543 30.7626 -39.0542 0.0995266 12.5528 30.7627 12.5528 -9.15252 GPRESSAVG: 2231400 25.5236 -37.692 31.4131 -39.8945 0.695828 12.3339 30.5079 14.318 -8.74478 TIMING: 2231400 CPU: 7042.76, 0.00319976/step Wall: 7042.76, 0.00319976/step, 2.46079 hours remaining, 238.472656 MB of memory in use. ENERGY: 2231400 3971.1028 20478.9726 14449.8349 231.6678 -203122.1400 2486.1466 0.0000 0.0000 52248.7320 -109255.6834 300.2742 -161504.4154 -108887.6706 299.3181 -56.0336 -27.9534 761116.2841 5.6244 5.8249 PRESSURE: 2231600 -172.572 -0.920036 -38.8579 -0.920851 19.5362 -57.2214 -38.8582 -57.2226 -268.905 GPRESSURE: 2231600 -120.862 -49.9862 24.9157 -7.94576 123.908 -2.56668 -49.6552 -68.6173 -336.428 PRESSAVG: 2231600 -9.00589 -16.8444 27.1776 -16.8444 -9.09842 -7.64842 27.1776 -7.64847 9.20828 GPRESSAVG: 2231600 -8.27449 -17.921 27.7547 -15.3893 -10.7394 -6.03146 28.1948 -9.78218 10.1329 TIMING: 2231600 CPU: 7043.4, 0.00319668/step Wall: 7043.4, 0.00319668/step, 2.45825 hours remaining, 238.472656 MB of memory in use. ENERGY: 2231600 3965.2920 20479.2017 14414.3421 252.4519 -203130.6238 2392.1285 0.0000 0.0000 52249.8472 -109377.3604 300.2806 -161627.2076 -109015.6846 299.7080 -140.6467 -111.1274 761836.5319 -2.9653 -2.9603 PRESSURE: 2231800 62.8568 19.3806 -40.2983 19.381 278.722 -168.74 -40.2977 -168.74 -382.775 GPRESSURE: 2231800 36.3972 -15.9469 -16.1206 5.45354 374.513 -231.335 -100.266 -137.633 -338.038 PRESSAVG: 2231800 10.1482 5.5443 4.43353 5.54433 10.0928 -41.7552 4.4335 -41.7553 0.958512 GPRESSAVG: 2231800 9.64719 5.26846 4.11208 4.34748 11.3461 -43.0574 4.72898 -41.0524 0.131429 TIMING: 2231800 CPU: 7044.04, 0.00322601/step Wall: 7044.04, 0.00322601/step, 2.48062 hours remaining, 238.472656 MB of memory in use. ENERGY: 2231800 4013.0042 20409.2414 14417.9902 255.9959 -203010.4827 2390.4475 0.0000 0.0000 52010.8203 -109512.9831 298.9069 -161523.8034 -109155.0277 299.8058 -13.7320 24.2907 759828.0624 7.0665 7.0416 PRESSURE: 2232000 -118.877 165.545 -82.3296 165.545 -205.201 257.63 -82.3294 257.629 148.271 GPRESSURE: 2232000 -29.6294 165.026 -24.1968 156.255 -156.987 149.159 -149.134 275.541 104.985 PRESSAVG: 2232000 -16.4376 -36.5289 21.1353 -36.5289 5.86193 -25.7752 21.1353 -25.7753 6.23883 GPRESSAVG: 2232000 -16.9539 -35.3681 22.5101 -35.3281 7.29023 -25.772 21.4444 -25.5151 6.10907 TIMING: 2232000 CPU: 7044.69, 0.0032201/step Wall: 7044.69, 0.00322011/step, 2.4759 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2232000 4023.4014 20438.1896 14418.8366 233.6484 -203294.9007 2638.7063 0.0000 0.0000 51880.0634 -109662.0551 298.1554 -161542.1184 -109295.7018 299.2610 -58.6022 -27.2104 761701.3611 -1.4456 -1.1849 PRESSURE: 2232200 -256.845 -58.0609 136.279 -58.0613 -47.736 -100.741 136.28 -100.742 -331.278 GPRESSURE: 2232200 -285.883 -134.613 120.14 -85.0966 -14.9465 -144.757 131.488 -81.2594 -280.411 PRESSAVG: 2232200 -28.6629 -20.722 37.1358 -20.722 32.802 -29.4845 37.1358 -29.4845 2.09759 GPRESSAVG: 2232200 -27.7161 -20.5038 37.7478 -22.8923 31.0471 -29.8441 35.3609 -30.2671 3.14497 TIMING: 2232200 CPU: 7045.34, 0.00323855/step Wall: 7045.34, 0.00323855/step, 2.48991 hours remaining, 238.472656 MB of memory in use. ENERGY: 2232200 4037.9956 20275.2069 14491.0988 242.2224 -203305.0862 2366.6421 0.0000 0.0000 52052.4825 -109839.4380 299.1463 -161891.9205 -109463.5593 298.2175 -211.9529 -193.7467 760806.8781 2.0789 2.1587 LDB: ============= START OF LOAD BALANCING ============== 7057.74 LDB: ============== END OF LOAD BALANCING =============== 7057.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7057.74 LDB: ============= START OF LOAD BALANCING ============== 7058.06 LDB: Largest compute 7034 load 0.036207 is 18.5% of average load 0.195803 LDB: Average compute 0.004388 is 2.2% of average load 0.195803 LDB: TIME 7058.07 LOAD: AVG 0.195803 MAX 0.216269 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7058.07 LOAD: AVG 0.195803 MAX 0.216269 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 7058.07 LOAD: AVG 0.195803 MAX 0.216269 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 7058.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7058.08 PRESSURE: 2232400 -166.566 151.667 -29.3124 151.668 -62.2289 91.2684 -29.3126 91.2677 309.66 GPRESSURE: 2232400 -266.068 159.959 -125.721 101.553 84.318 156.195 -65.9345 135.404 354.479 PRESSAVG: 2232400 -41.836 -15.6427 31.4906 -15.6426 54.6658 -15.5554 31.4906 -15.5555 -11.8161 GPRESSAVG: 2232400 -42.94 -16.7132 29.5396 -15.4118 56.7688 -15.3794 33.5152 -12.8667 -13.4401 TIMING: 2232400 CPU: 7045.99, 0.00329101/step Wall: 7045.99, 0.00329101/step, 2.53005 hours remaining, 238.355469 MB of memory in use. ENERGY: 2232400 3936.9457 20400.4484 14518.5645 242.4514 -203236.5286 2528.8117 0.0000 0.0000 51779.5868 -109829.7200 297.5780 -161609.3068 -109476.8028 298.3744 26.9549 57.5762 762439.5436 0.3379 0.1296 PRESSURE: 2232600 -302.098 2.47091 -99.2961 2.47099 -339.619 84.3292 -99.2966 84.3292 -364.329 GPRESSURE: 2232600 -324.996 194.161 -44.2903 80.6057 -268.809 156.747 -24.1745 26.8017 -329.541 PRESSAVG: 2232600 8.55914 3.97459 -16.1024 3.97461 -2.15285 23.244 -16.1025 23.2439 12.5177 GPRESSAVG: 2232600 9.22975 3.88937 -16.2568 5.79667 -3.30313 24.4484 -16.6716 19.2407 12.7898 TIMING: 2232600 CPU: 7046.64, 0.00324963/step Wall: 7046.64, 0.00324963/step, 2.49806 hours remaining, 238.558594 MB of memory in use. ENERGY: 2232600 3957.5242 20376.5048 14396.2317 235.7674 -203363.3335 2374.4654 0.0000 0.0000 51952.8712 -110069.9687 298.5739 -162022.8400 -109706.4896 298.2121 -335.3489 -307.7818 761884.1620 6.3080 6.2388 PRESSURE: 2232800 -121.909 190.709 131.719 190.71 -192.403 109.406 131.719 109.406 -173.938 GPRESSURE: 2232800 -52.6147 39.1948 166.829 142.012 -138.591 101.154 23.3279 -27.6675 -194.276 PRESSAVG: 2232800 3.51538 44.5114 -3.09784 44.5114 19.6942 -11.4107 -3.09783 -11.4106 24.4267 GPRESSAVG: 2232800 2.11752 42.1887 -2.96112 43.0226 20.593 -13.6087 -2.12801 -9.53051 25.1444 TIMING: 2232800 CPU: 7047.29, 0.00324738/step Wall: 7047.29, 0.00324738/step, 2.49615 hours remaining, 238.558594 MB of memory in use. ENERGY: 2232800 4058.2615 20463.1098 14445.1697 242.3770 -203426.5365 2506.9671 0.0000 0.0000 51673.7232 -110036.9282 296.9696 -161710.6514 -109682.3551 298.1887 -162.7498 -128.4938 759805.1528 15.8788 15.9516 PRESSURE: 2233000 -259.657 -117.41 -72.5734 -117.41 -281.162 -213.786 -72.5738 -213.786 -43.1307 GPRESSURE: 2233000 -258.496 -135.115 -48.5869 -60.0623 -213.981 -252.217 -20.3375 -164.663 -18.161 PRESSAVG: 2233000 0.340098 22.0709 39.0135 22.071 1.64234 -11.121 39.0135 -11.121 -16.4141 GPRESSAVG: 2233000 1.52485 22.9453 40.82 22.2196 0.870873 -10.4518 37.3419 -11.677 -16.3924 TIMING: 2233000 CPU: 7047.93, 0.00320948/step Wall: 7047.93, 0.00320948/step, 2.46684 hours remaining, 238.558594 MB of memory in use. ENERGY: 2233000 4034.0995 20441.4704 14447.2657 250.6952 -203489.9662 2406.8714 0.0000 0.0000 51841.9159 -110067.6481 297.9362 -161909.5640 -109712.3144 297.9638 -194.6499 -163.5460 760528.1537 -4.8106 -4.6656 PRESSURE: 2233200 141.965 3.97808 -90.7455 3.97776 -280.536 -32.3167 -90.7459 -32.3177 117.728 GPRESSURE: 2233200 147.369 -27.3484 -168.19 -46.5015 -264.119 -0.590519 -38.992 27.0026 168.948 PRESSAVG: 2233200 17.1112 22.513 -22.6594 22.5129 -24.2956 45.7672 -22.6594 45.7672 5.34697 GPRESSAVG: 2233200 18.4456 23.4711 -22.9322 22.2622 -24.4932 46.2161 -22.1431 46.7396 4.83448 TIMING: 2233200 CPU: 7048.58, 0.00320557/step Wall: 7048.58, 0.00320557/step, 2.46366 hours remaining, 238.558594 MB of memory in use. ENERGY: 2233200 3838.4524 20528.9327 14431.4955 240.1453 -203557.6555 2444.1659 0.0000 0.0000 51835.1462 -110239.3175 297.8973 -162074.4637 -109877.9519 298.1436 -6.9473 17.3992 760081.0641 -0.6125 -0.4044 PRESSURE: 2233400 -63.9172 -177.847 273.22 -177.848 -180.974 275.65 273.22 275.65 -145.198 GPRESSURE: 2233400 20.5267 -155.25 338.212 -123.088 -158.092 280.753 103.582 181.449 -178.865 PRESSAVG: 2233400 38.8786 -14.1982 76.0689 -14.1982 -29.538 -9.64998 76.0689 -9.64996 -9.1612 GPRESSAVG: 2233400 37.4742 -16.7552 73.9745 -12.7505 -30.0207 -9.60769 76.6424 -9.1879 -8.34145 TIMING: 2233400 CPU: 7049.22, 0.00320289/step Wall: 7049.22, 0.00320289/step, 2.46142 hours remaining, 238.558594 MB of memory in use. ENERGY: 2233400 3996.7887 20338.1812 14457.3798 229.2991 -203640.5018 2706.0450 0.0000 0.0000 51771.6420 -110141.1660 297.5323 -161912.8081 -109776.2348 297.5779 -130.0299 -105.4766 761697.6045 0.0598 -0.2960 PRESSURE: 2233600 264.036 -267.746 -346.392 -267.746 -19.9699 -49.7496 -346.392 -49.7486 -462.134 GPRESSURE: 2233600 258.173 -235.298 -298.884 -123.262 -16.8679 -81.3981 -396.789 -16.9587 -370.425 PRESSAVG: 2233600 16.3565 -3.20294 42.5972 -3.20293 -27.3865 -7.97376 42.5972 -7.97369 -0.61258 GPRESSAVG: 2233600 17.2982 -2.84802 44.592 -1.52462 -27.1764 -9.19454 42.2034 -7.60711 -1.16851 TIMING: 2233600 CPU: 7049.85, 0.00318493/step Wall: 7049.85, 0.00318493/step, 2.44744 hours remaining, 238.558594 MB of memory in use. ENERGY: 2233600 3982.1024 20519.7121 14473.0814 248.0435 -203300.0113 2436.3352 0.0000 0.0000 51779.9543 -109860.7823 297.5801 -161640.7366 -109503.5863 298.1012 -72.6893 -43.0398 760740.9777 -3.8808 -3.6823 PRESSURE: 2233800 -203.467 3.88943 -144.88 3.88992 -270.961 -118.238 -144.88 -118.238 0.504555 GPRESSURE: 2233800 -251.96 -90.7234 -267.238 -7.42407 -136.003 -54.6763 -20.6477 -18.118 26.7757 PRESSAVG: 2233800 -11.9908 2.6408 16.9652 2.64079 -19.6086 24.2165 16.9652 24.2166 -7.97822 GPRESSAVG: 2233800 -11.8464 3.06706 15.5703 0.0610465 -19.9418 23.217 18.0242 23.6364 -7.44228 TIMING: 2233800 CPU: 7050.49, 0.00319655/step Wall: 7050.49, 0.00319655/step, 2.45619 hours remaining, 238.558594 MB of memory in use. ENERGY: 2233800 3995.2715 20577.2849 14460.4274 262.1833 -203251.4398 2322.5573 0.0000 0.0000 51867.4077 -109766.3076 298.0827 -161633.7153 -109415.5522 298.7691 -157.9745 -120.3956 761860.3864 -13.1925 -13.0769 PRESSURE: 2234000 -9.41448 16.3265 202.508 16.3276 78.6019 -4.68211 202.51 -4.68298 -7.1001 GPRESSURE: 2234000 93.7265 71.4523 210.835 -48.5896 11.7542 29.521 191.237 50.6594 46.9168 PRESSAVG: 2234000 -23.3906 12.3996 26.5353 12.3995 -12.7848 -12.8728 26.5353 -12.8728 17.763 GPRESSAVG: 2234000 -23.82 12.8461 25.8733 12.4736 -13.1456 -11.2943 24.5945 -14.0537 18.2132 TIMING: 2234000 CPU: 7051.14, 0.0032251/step Wall: 7051.14, 0.0032251/step, 2.47795 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2234000 4011.5304 20524.5574 14380.1379 247.7627 -203610.7280 2656.6948 0.0000 0.0000 52053.7671 -109736.2777 299.1537 -161790.0448 -109384.6677 299.3392 20.6958 50.7992 759601.0701 -6.1375 -6.2508 PRESSURE: 2234200 -150.806 -108.501 -219.925 -108.5 -41.5476 326.2 -219.924 326.2 -384.554 GPRESSURE: 2234200 -110.718 -160.211 -214.805 -137.247 2.2945 363.979 -102.442 179.986 -380.176 PRESSAVG: 2234200 -8.71862 25.4119 -21.2111 25.412 50.0769 70.5144 -21.2111 70.5144 0.213384 GPRESSAVG: 2234200 -8.90519 24.0952 -20.607 25.4379 50.9408 70.8707 -20.7244 69.9228 -0.225242 TIMING: 2234200 CPU: 7051.79, 0.00323637/step Wall: 7051.79, 0.00323637/step, 2.48643 hours remaining, 238.558594 MB of memory in use. ENERGY: 2234200 4026.9500 20376.7263 14391.9843 233.4677 -203107.9612 2229.5290 0.0000 0.0000 52073.1357 -109776.1682 299.2650 -161849.3039 -109424.0814 299.1762 -192.3025 -162.8663 760775.9704 13.8572 13.9368 PRESSURE: 2234400 122.122 168.517 -12.7145 168.518 -31.2375 -12.0853 -12.7141 -12.085 19.8059 GPRESSURE: 2234400 233.339 167.741 -22.08 177.215 -9.87405 4.13745 -6.67988 -25.2582 -17.0163 PRESSAVG: 2234400 7.97788 21.6102 -24.2854 21.6102 58.6353 47.7857 -24.2854 47.7857 -14.1698 GPRESSAVG: 2234400 8.82904 21.9309 -23.23 20.4621 58.3698 48.0749 -23.3482 49.7312 -15.2522 TIMING: 2234400 CPU: 7052.43, 0.0032029/step Wall: 7052.43, 0.0032029/step, 2.46054 hours remaining, 238.558594 MB of memory in use. ENERGY: 2234400 3973.2362 20374.6211 14425.9469 255.3447 -203791.0414 2687.3695 0.0000 0.0000 52146.1369 -109928.3861 299.6846 -162074.5229 -109558.9721 298.6814 36.8969 68.8164 759783.9616 17.4811 17.3155 PRESSURE: 2234600 -158.472 -106.134 50.7932 -106.134 -405.387 -170.388 50.7937 -170.389 -362.424 GPRESSURE: 2234600 -104.764 -66.5997 72.5011 -166.033 -372.522 -74.555 61.2071 -189.502 -347.796 PRESSAVG: 2234600 40.2265 12.9947 -21.5015 12.9947 -23.4259 23.5432 -21.5015 23.5431 -15.1279 GPRESSAVG: 2234600 39.6256 12.7801 -21.9214 13.6458 -23.0626 22.9461 -21.5582 23.9371 -14.7006 TIMING: 2234600 CPU: 7053.06, 0.00316537/step Wall: 7053.06, 0.00316537/step, 2.43153 hours remaining, 238.558594 MB of memory in use. ENERGY: 2234600 3934.2051 20337.2875 14337.6796 239.6866 -203115.5911 2142.5795 0.0000 0.0000 52174.7760 -109949.3768 299.8492 -162124.1528 -109583.3821 298.3208 -308.7610 -275.0276 760964.5179 0.5576 0.6208 PRESSURE: 2234800 -225.422 -219.746 164.23 -219.746 -139.34 45.685 164.231 45.6855 -424.339 GPRESSURE: 2234800 -180.778 -68.0197 81.4192 -75.7727 -159.836 63.9061 66.8392 149.129 -386.729 PRESSAVG: 2234800 57.8543 -20.0825 6.51569 -20.0824 -14.0414 21.9193 6.51568 21.9192 -8.15204 GPRESSAVG: 2234800 56.9539 -18.5061 7.43989 -19.6159 -13.9931 22.8164 4.31195 18.4722 -7.27375 TIMING: 2234800 CPU: 7053.69, 0.00316239/step Wall: 7053.69, 0.00316239/step, 2.42906 hours remaining, 238.558594 MB of memory in use. ENERGY: 2234800 4002.6348 20423.0704 14354.7918 246.2160 -203454.0999 2497.2406 0.0000 0.0000 51940.9248 -109989.2217 298.5052 -161930.1465 -109626.1643 297.6444 -263.0341 -242.4478 760767.1695 11.8869 11.8957 PRESSURE: 2235000 52.51 188.572 -50.0584 188.573 150.16 -31.6111 -50.0577 -31.6113 385.234 GPRESSURE: 2235000 129.248 145.467 42.4548 206.578 104.066 -70.4045 -121.418 142.075 434.687 PRESSAVG: 2235000 -23.5046 3.81055 -36.7454 3.81057 54.4489 -12.6253 -36.7453 -12.6253 -2.83963 GPRESSAVG: 2235000 -22.2459 5.20983 -37.4173 3.0918 54.0647 -12.3591 -34.4518 -8.27651 -3.95268 TIMING: 2235000 CPU: 7054.33, 0.00320411/step Wall: 7054.33, 0.00320411/step, 2.46093 hours remaining, 238.558594 MB of memory in use. ENERGY: 2235000 3989.9238 20512.7249 14442.6702 239.5016 -203367.1230 2440.0667 0.0000 0.0000 51775.9853 -109966.2505 297.5573 -161742.2358 -109601.9578 298.4448 195.9681 222.6671 758773.1328 9.3682 9.2887 PRESSURE: 2235200 179.977 -202.255 -193.223 -202.254 304.316 -28.0314 -193.223 -28.0322 73.9473 GPRESSURE: 2235200 239.318 -134.779 -171.555 -186.217 389.603 2.77361 -82.5661 -102.361 10.4662 PRESSAVG: 2235200 -29.3447 -3.06735 23.2869 -3.06736 11.0728 37.0357 23.2869 37.0356 25.5251 GPRESSAVG: 2235200 -28.6792 -3.99916 22.7646 -2.55489 10.7194 35.9476 23.1255 36.5244 25.1609 TIMING: 2235200 CPU: 7054.98, 0.0032273/step Wall: 7054.98, 0.0032273/step, 2.47857 hours remaining, 238.558594 MB of memory in use. ENERGY: 2235200 3959.2009 20517.2658 14470.2911 243.4795 -204183.0890 3035.5137 0.0000 0.0000 51972.7229 -109984.6151 298.6880 -161957.3379 -109629.9792 298.2228 186.0801 213.1290 760342.8681 2.4177 2.4004 PRESSURE: 2235400 -185.803 -72.3367 -47.398 -72.3373 -146.545 8.19897 -47.3985 8.19948 -307.96 GPRESSURE: 2235400 -135.993 -69.6442 -62.3214 -107.493 -93.7008 -2.36419 -138.191 -156.675 -311.155 PRESSAVG: 2235400 -28.6624 -3.20119 -17.7957 -3.20124 33.856 -27.0985 -17.7957 -27.0985 -5.97344 GPRESSAVG: 2235400 -28.985 -1.94482 -18.9082 -4.29957 34.2738 -27.9083 -18.3977 -27.8809 -5.86405 TIMING: 2235400 CPU: 7055.62, 0.00322355/step Wall: 7055.62, 0.00322355/step, 2.47551 hours remaining, 238.558594 MB of memory in use. ENERGY: 2235400 3993.1377 20422.2806 14426.1273 246.5832 -203446.7162 2413.9479 0.0000 0.0000 51620.6358 -110324.0036 296.6645 -161944.6394 -109968.4889 298.1440 -213.4357 -180.2828 760682.2377 -0.2600 -0.1917 PRESSURE: 2235600 -199.343 122.209 72.5902 122.21 125.031 -53.9831 72.5905 -53.9823 224.316 GPRESSURE: 2235600 -109.384 -50.9382 58.6695 2.40479 134.507 47.3408 95.1205 -152.749 205.945 PRESSAVG: 2235600 -38.263 3.1181 -43.4579 3.1181 22.7236 -21.3763 -43.4579 -21.3764 7.14954 GPRESSAVG: 2235600 -39.4029 3.41787 -43.4227 1.63683 21.9268 -21.9971 -41.3269 -21.3714 8.89868 TIMING: 2235600 CPU: 7056.27, 0.00323046/step Wall: 7056.27, 0.00323046/step, 2.48064 hours remaining, 238.558594 MB of memory in use. ENERGY: 2235600 4115.7806 20520.6426 14380.3206 252.7601 -203694.7198 2527.3191 0.0000 0.0000 51939.3431 -109958.5538 298.4961 -161897.8969 -109602.0269 298.2095 50.0014 77.0224 760189.2545 -2.7966 -2.8591 PRESSURE: 2235800 -200.189 -16.5731 -63.2055 -16.5726 -651.78 -208.614 -63.2049 -208.615 -274.057 GPRESSURE: 2235800 -270.341 42.4728 42.7161 -52.4246 -467.997 -212.657 -168.757 -303.429 -317.912 PRESSAVG: 2235800 20.2264 -3.43593 -24.575 -3.43593 12.5666 -9.19115 -24.5749 -9.1912 -6.98657 GPRESSAVG: 2235800 20.7876 -7.00505 -22.5702 -1.06355 12.9723 -9.09967 -25.6276 -9.57865 -8.4058 TIMING: 2235800 CPU: 7056.92, 0.00323343/step Wall: 7056.92, 0.00323343/step, 2.48274 hours remaining, 238.558594 MB of memory in use. ENERGY: 2235800 3988.1661 20555.4852 14421.6748 238.6636 -203422.6488 2258.6338 0.0000 0.0000 52046.5630 -109913.4624 299.1123 -161960.0254 -109545.8079 298.8994 -375.3420 -352.0833 761651.8673 8.6021 8.4514 PRESSURE: 2236000 -98.6815 64.3666 -237.541 64.3671 158.965 -33.4131 -237.541 -33.4138 380.11 GPRESSURE: 2236000 -44.4621 196.687 -168.566 6.09053 288.713 -96.2126 -198.105 151.094 280.674 PRESSAVG: 2236000 -61.9089 -8.26674 -23.2682 -8.26669 -4.0864 -71.3474 -23.2682 -71.3474 2.69518 GPRESSAVG: 2236000 -61.8324 -7.35628 -23.0966 -7.63776 -4.62414 -71.9664 -22.5738 -70.4622 2.97799 TIMING: 2236000 CPU: 7057.55, 0.00318012/step Wall: 7057.55, 0.00318012/step, 2.44163 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2236000 4056.4701 20446.6031 14413.3668 240.4626 -203738.8606 2535.7939 0.0000 0.0000 52071.6887 -109974.4755 299.2567 -162046.1642 -109621.1959 298.7449 146.7981 174.9752 760067.0684 -21.1000 -21.1595 PRESSURE: 2236200 113.637 -113.507 157.271 -113.507 -145.47 55.1096 157.271 55.1093 -141.508 GPRESSURE: 2236200 171.855 -125.81 166.136 -86.309 -110.664 5.35 62.1822 45.1217 -153.663 PRESSAVG: 2236200 -1.57177 -21.4094 -44.2628 -21.4094 27.3209 -57.2826 -44.2628 -57.2826 1.03742 GPRESSAVG: 2236200 -2.15531 -18.6332 -44.5596 -22.3924 28.3707 -55.576 -47.5789 -57.4233 1.23546 TIMING: 2236200 CPU: 7058.2, 0.00322123/step Wall: 7058.2, 0.00322123/step, 2.47301 hours remaining, 238.558594 MB of memory in use. ENERGY: 2236200 4016.7728 20449.1528 14490.8147 226.0233 -203588.3380 2464.1552 0.0000 0.0000 52296.3870 -109645.0322 300.5481 -161941.4192 -109278.6660 299.3167 -57.7804 -30.8238 758952.3434 8.9288 9.1503 LDB: ============= START OF LOAD BALANCING ============== 7070.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7070.6 LDB: =============== DONE WITH MIGRATION ================ 7070.6 LDB: ============= START OF LOAD BALANCING ============== 7070.92 LDB: Largest compute 7034 load 0.035444 is 18.1% of average load 0.195932 LDB: Average compute 0.004396 is 2.2% of average load 0.195932 LDB: TIME 7070.93 LOAD: AVG 0.195932 MAX 0.213599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7070.93 LOAD: AVG 0.195932 MAX 0.213599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 7070.93 LOAD: AVG 0.195932 MAX 0.213599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 7070.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7070.94 PRESSURE: 2236400 -233.101 10.8583 -327.063 10.8587 12.9137 22.6905 -327.062 22.6909 -4.69798 GPRESSURE: 2236400 -136.065 -69.71 -304.556 111.94 -1.63487 49.1195 -320.388 -7.43866 -0.352932 PRESSAVG: 2236400 17.8925 57.1196 -47.8601 57.1195 -31.386 -2.49967 -47.8601 -2.49971 -0.672586 GPRESSAVG: 2236400 19.4132 55.4593 -50.0181 58.5481 -32.538 -3.25452 -43.8132 -3.49148 -0.736223 TIMING: 2236400 CPU: 7058.85, 0.00328682/step Wall: 7058.85, 0.00328682/step, 2.52318 hours remaining, 238.355469 MB of memory in use. ENERGY: 2236400 3983.5819 20622.9779 14493.5052 250.8791 -203719.7442 2423.2881 0.0000 0.0000 51885.0964 -110060.4156 298.1844 -161945.5120 -109702.9686 298.5055 -74.9616 -46.0175 760134.9415 -4.7220 -4.6203 PRESSURE: 2236600 -390.269 102.248 -33.2028 102.247 -247.125 -180.528 -33.2037 -180.53 52.5306 GPRESSURE: 2236600 -355.195 73.9571 -13.3917 38.389 -168.824 -196.326 -111.873 -236.133 9.21124 PRESSAVG: 2236600 23.31 36.1686 -10.557 36.1686 -64.1097 -34.7717 -10.557 -34.7717 3.82126 GPRESSAVG: 2236600 23.5778 35.2387 -9.907 34.6829 -64.7109 -34.8456 -10.9537 -34.7652 4.09492 TIMING: 2236600 CPU: 7059.49, 0.00320078/step Wall: 7059.49, 0.00320078/step, 2.45695 hours remaining, 238.355469 MB of memory in use. ENERGY: 2236600 3945.8370 20492.8478 14450.3555 245.5573 -203362.7122 2376.6686 0.0000 0.0000 51904.9462 -109946.4997 298.2984 -161851.4459 -109593.3856 298.1315 -194.9545 -171.6028 760113.9550 -12.3262 -12.3461 PRESSURE: 2236800 39.9971 64.5561 -147.612 64.5559 90.0437 46.0015 -147.612 46.0008 -112.409 GPRESSURE: 2236800 90.3327 80.5698 -106.524 3.75869 130.583 -8.36182 -143.989 79.674 -109.936 PRESSAVG: 2236800 -42.0122 13.007 -70.4547 13.0069 53.7472 -30.6948 -70.4547 -30.6947 -10.4676 GPRESSAVG: 2236800 -44.3496 13.4306 -68.8559 12.4478 55.8487 -29.7581 -71.2339 -30.9535 -10.6837 TIMING: 2236800 CPU: 7060.13, 0.00320734/step Wall: 7060.13, 0.00320734/step, 2.46181 hours remaining, 238.355469 MB of memory in use. ENERGY: 2236800 3965.1547 20462.5926 14495.1420 276.3570 -204170.3835 2817.4301 0.0000 0.0000 52320.6700 -109833.0372 300.6876 -162153.7072 -109461.2044 298.6473 5.8772 36.9933 760090.8627 0.4224 0.2718 PRESSURE: 2237000 -498.387 -33.0612 188.865 -33.0612 11.9054 60.7882 188.865 60.7888 -268.68 GPRESSURE: 2237000 -428.057 -21.6018 134.184 -110.76 -1.03908 104.132 193.316 1.55909 -239.709 PRESSAVG: 2237000 14.332 11.1787 -58.7263 11.1787 -6.10794 30.7243 -58.7263 30.7242 0.468573 GPRESSAVG: 2237000 16.5569 13.1559 -60.1213 8.51043 -7.46033 32.4344 -58.5492 31.0837 -0.44172 TIMING: 2237000 CPU: 7060.78, 0.00321495/step Wall: 7060.78, 0.00321495/step, 2.46747 hours remaining, 238.355469 MB of memory in use. ENERGY: 2237000 4065.7257 20425.5733 14447.3935 237.0914 -203414.2689 2474.7965 0.0000 0.0000 51941.4250 -109822.2635 298.5081 -161763.6885 -109455.9331 298.4818 -251.7207 -222.9351 760144.7068 2.8976 2.8850 PRESSURE: 2237200 4.66591 36.0446 7.91905 36.0433 -35.0329 -10.92 7.91852 -10.9198 -71.0925 GPRESSURE: 2237200 14.18 79.3015 -31.4288 -42.3748 4.80695 73.6945 81.1503 -10.4996 -41.1821 PRESSAVG: 2237200 18.98 27.3286 37.8711 27.3286 -31.9188 -0.467203 37.8712 -0.467249 -4.95557 GPRESSAVG: 2237200 17.6116 26.8826 38.1235 29.4081 -30.3463 -1.49668 38.5314 -0.973701 -4.84633 TIMING: 2237200 CPU: 7061.42, 0.00320738/step Wall: 7061.42, 0.00320738/step, 2.46148 hours remaining, 238.355469 MB of memory in use. ENERGY: 2237200 3934.2879 20480.0249 14467.2938 240.7838 -203372.4698 2269.1926 0.0000 0.0000 52147.0032 -109833.8837 299.6895 -161980.8868 -109474.6072 298.4867 -33.8198 -7.3984 759037.0777 -5.9648 -5.8603 PRESSURE: 2237400 42.1869 128.021 93.8561 128.021 -232.054 34.1288 93.8558 34.1282 -428.574 GPRESSURE: 2237400 12.2887 87.864 43.1346 63.8982 -204.008 14.2964 -26.6468 120.648 -354.678 PRESSAVG: 2237400 0.632375 40.5113 47.4238 40.5112 -47.6053 -29.5458 47.4239 -29.5458 14.0081 GPRESSAVG: 2237400 0.62749 39.5426 47.4178 40.7721 -49.6102 -31.088 46.1107 -27.4584 15.3591 TIMING: 2237400 CPU: 7062.06, 0.00320615/step Wall: 7062.06, 0.00320616/step, 2.46037 hours remaining, 238.355469 MB of memory in use. ENERGY: 2237400 3954.9179 20534.9708 14457.9136 258.5958 -202865.7447 2133.9685 0.0000 0.0000 51654.5572 -109870.8211 296.8595 -161525.3782 -109514.0670 298.4342 -206.1470 -182.1324 759048.6679 -10.9883 -11.2079 PRESSURE: 2237600 -18.145 129.971 8.97245 129.971 -126.114 30.9271 8.97261 30.9264 -99.4824 GPRESSURE: 2237600 182.76 138.448 -19.9904 244.276 -236.85 1.57217 108.21 -98.2894 -79.2659 PRESSAVG: 2237600 43.152 28.2644 -27.6955 28.2644 -44.2797 20.6923 -27.6955 20.6922 -20.7974 GPRESSAVG: 2237600 43.8766 29.157 -27.6831 27.6087 -43.6162 21.5292 -27.5843 18.9672 -21.9269 TIMING: 2237600 CPU: 7062.7, 0.00320684/step Wall: 7062.7, 0.00320684/step, 2.46071 hours remaining, 238.355469 MB of memory in use. ENERGY: 2237600 4003.3708 20347.4449 14436.6705 230.0594 -203212.5050 2522.7298 0.0000 0.0000 51967.9370 -109704.2926 298.6604 -161672.2296 -109342.4808 298.1396 -81.2471 -44.4519 761256.2761 -7.3084 -7.2222 PRESSURE: 2237800 46.371 -12.5909 126.13 -12.591 48.7151 -103.74 126.129 -103.739 169.828 GPRESSURE: 2237800 31.7217 32.7977 69.3531 -117.606 105.269 -81.8801 233.146 -42.3166 221.388 PRESSAVG: 2237800 31.1141 53.1907 32.6381 53.1907 -51.5966 10.2387 32.638 10.2386 -6.59451 GPRESSAVG: 2237800 30.2891 51.7733 33.9774 55.3012 -51.4189 10.5019 32.2888 8.45876 -5.97422 TIMING: 2237800 CPU: 7063.34, 0.00317048/step Wall: 7063.34, 0.00317048/step, 2.43264 hours remaining, 238.355469 MB of memory in use. ENERGY: 2237800 3971.4805 20584.8834 14430.8735 250.9431 -203631.6949 2651.9603 0.0000 0.0000 51991.3807 -109750.1734 298.7952 -161741.5541 -109388.8123 298.5347 88.3045 119.4597 760875.6168 -9.0257 -9.0347 PRESSURE: 2238000 -351.039 -146.817 142.343 -146.817 -71.6772 82.5022 142.343 82.5018 125.255 GPRESSURE: 2238000 -261.946 -76.3184 81.2121 -235.354 -13.2023 128.949 64.3457 114.303 58.6592 PRESSAVG: 2238000 -28.4871 -12.9099 -42.5633 -12.9099 5.99134 -3.92135 -42.5633 -3.92135 -15.8339 GPRESSAVG: 2238000 -28.7251 -11.8825 -43.6341 -12.7535 5.99943 -2.71042 -41.8147 -2.22713 -15.7224 TIMING: 2238000 CPU: 7063.97, 0.00318706/step Wall: 7063.97, 0.00318706/step, 2.44518 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2238000 3977.7101 20497.5075 14391.1402 243.3526 -203314.7656 2451.7951 0.0000 0.0000 51995.1767 -109758.0834 298.8170 -161753.2601 -109396.5393 298.6270 -99.1536 -72.1632 760756.0956 -12.7766 -12.8160 PRESSURE: 2238200 -383.987 132.254 -157.03 132.254 66.0234 104.032 -157.031 104.033 -116.755 GPRESSURE: 2238200 -237.606 156.581 -244.408 143.847 5.62357 128.308 -56.7849 50.7654 -120.833 PRESSAVG: 2238200 -16.6296 8.82046 -56.674 8.82042 42.7786 20.4342 -56.674 20.4342 -3.84487 GPRESSAVG: 2238200 -16.5231 7.85705 -57.7083 7.23532 42.634 19.5402 -56.4398 20.4718 -4.1805 TIMING: 2238200 CPU: 7064.61, 0.00316748/step Wall: 7064.61, 0.00316749/step, 2.42999 hours remaining, 238.355469 MB of memory in use. ENERGY: 2238200 3956.5361 20540.8377 14394.5993 249.1476 -203535.9679 2335.5590 0.0000 0.0000 52106.7787 -109952.5096 299.4584 -162059.2883 -109591.2580 298.7362 -144.9063 -117.6050 760045.0372 7.4347 7.3101 PRESSURE: 2238400 160.914 -33.9892 -148.226 -33.9898 -109.429 -210.623 -148.226 -210.623 122.366 GPRESSURE: 2238400 119.704 -7.32108 -115.287 -75.2791 -38.46 -181.621 -101.771 -93.6394 192.641 PRESSAVG: 2238400 -29.7508 -1.44107 -16.143 -1.44108 6.61506 68.0013 -16.1431 68.0014 23.0762 GPRESSAVG: 2238400 -29.5048 -1.52664 -16.3319 0.184881 6.89762 68.0377 -18.738 68.6388 22.1574 TIMING: 2238400 CPU: 7065.24, 0.00316887/step Wall: 7065.24, 0.00316887/step, 2.43088 hours remaining, 238.355469 MB of memory in use. ENERGY: 2238400 3918.9403 20460.1900 14365.3955 228.2278 -204074.0171 2798.6723 0.0000 0.0000 51997.0765 -110305.5149 298.8279 -162302.5914 -109941.7500 298.3235 57.9502 91.2951 758229.1091 -0.0199 -0.1499 PRESSURE: 2238600 -111.959 -25.7272 323.405 -25.726 216.072 -209.921 323.405 -209.922 -458.9 GPRESSURE: 2238600 -89.1687 -68.8024 361.107 24.6961 225.563 -198.444 387.968 -195.504 -402.774 PRESSAVG: 2238600 -40.3582 -6.70423 35.23 -6.70427 32.2308 2.14705 35.2299 2.14699 19.6822 GPRESSAVG: 2238600 -39.9792 -5.31518 36.0929 -7.75135 31.8862 2.16378 35.1262 0.205516 19.8328 TIMING: 2238600 CPU: 7065.88, 0.00318772/step Wall: 7065.88, 0.00318772/step, 2.44516 hours remaining, 238.355469 MB of memory in use. ENERGY: 2238600 3987.0147 20424.5889 14410.0433 240.7419 -203663.2877 2391.6508 0.0000 0.0000 51837.0365 -110372.2117 297.9082 -162209.2482 -110002.6723 297.9360 -118.2622 -88.7934 759717.8943 3.8516 3.9133 PRESSURE: 2238800 301.654 -170 43.6955 -170.001 229.464 26.5077 43.6957 26.5083 100.769 GPRESSURE: 2238800 358.929 -52.9868 47.0461 -173.378 322.703 70.791 25.0946 -43.7212 24.4534 PRESSAVG: 2238800 -11.5338 -8.02439 5.04579 -8.02443 58.6073 28.8262 5.04579 28.8262 -9.48315 GPRESSAVG: 2238800 -12.245 -8.13019 4.85551 -7.47688 58.0464 29.3326 7.75781 30.743 -8.502 TIMING: 2238800 CPU: 7066.52, 0.00320561/step Wall: 7066.52, 0.00320561/step, 2.45871 hours remaining, 238.355469 MB of memory in use. ENERGY: 2238800 3938.9247 20607.4563 14413.8027 256.0100 -203961.2845 2593.1797 0.0000 0.0000 51811.4278 -110340.4834 297.7610 -162151.9112 -109987.6350 298.1949 210.6289 235.3620 759922.4192 12.5301 12.4331 PRESSURE: 2239000 70.4806 16.819 -52.7146 16.8195 -294.516 255.626 -52.7139 255.626 27.7183 GPRESSURE: 2239000 35.9995 72.6913 37.7631 97.1349 -184.009 373.404 -188.16 86.7349 38.4148 PRESSAVG: 2239000 -16.4907 -10.3346 -53.8544 -10.3345 3.91629 50.1487 -53.8544 50.1486 10.2633 GPRESSAVG: 2239000 -14.6975 -10.6521 -52.5914 -11.6537 4.08347 49.2297 -55.7165 49.25 8.41987 TIMING: 2239000 CPU: 7067.15, 0.00316874/step Wall: 7067.15, 0.00316874/step, 2.43025 hours remaining, 238.355469 MB of memory in use. ENERGY: 2239000 3982.3406 20639.6906 14353.0431 262.3529 -203619.4049 2454.5283 0.0000 0.0000 51486.7253 -110440.7241 295.8949 -161927.4493 -110085.0507 297.5202 -65.4389 -36.5316 761297.1405 -0.7704 -0.7314 PRESSURE: 2239200 178.475 -35.904 135.591 -35.9043 -191.973 23.9891 135.59 23.989 -222.095 GPRESSURE: 2239200 154.79 -62.4633 138.753 -45.9854 -108.469 -26.6348 122.927 76.7237 -191.974 PRESSAVG: 2239200 16.4136 -32.6233 18.5733 -32.6233 17.1288 73.3153 18.5733 73.3153 -10.3437 GPRESSAVG: 2239200 14.411 -35.3885 18.3205 -31.02 17.5086 72.8265 19.1121 74.9857 -8.9295 TIMING: 2239200 CPU: 7067.79, 0.00316253/step Wall: 7067.79, 0.00316253/step, 2.42531 hours remaining, 238.355469 MB of memory in use. ENERGY: 2239200 3983.2294 20330.8418 14458.0270 256.0889 -204062.2797 2832.3047 0.0000 0.0000 51936.6103 -110265.1777 298.4804 -162201.7881 -109913.2013 297.7651 -78.5313 -48.5509 759164.9701 7.7329 7.6634 PRESSURE: 2239400 103.852 -72.4383 -94.2097 -72.4383 -30.4771 -38.7925 -94.2103 -38.7925 87.2192 GPRESSURE: 2239400 196.894 -64.9015 -153.194 -62.8103 -7.67484 -87.6668 -3.72962 -50.5356 47.9084 PRESSAVG: 2239400 -33.2891 13.6127 30.091 13.6127 18.7134 -31.7233 30.091 -31.7233 -0.284391 GPRESSAVG: 2239400 -33.7732 17.0929 28.9825 12.7079 19.4042 -32.1799 30.0646 -33.7358 -0.126159 TIMING: 2239400 CPU: 7068.42, 0.00319439/step Wall: 7068.42, 0.00319439/step, 2.44956 hours remaining, 238.355469 MB of memory in use. ENERGY: 2239400 4006.3461 20513.0389 14356.1151 238.5938 -203476.2805 2464.1209 0.0000 0.0000 51748.3751 -110149.6906 297.3986 -161898.0657 -109793.9192 298.4578 53.5314 79.0424 759286.7951 -4.9534 -4.8317 PRESSURE: 2239600 -72.5695 59.8872 -169.142 59.8874 -82.7899 0.266521 -169.143 0.266273 209.933 GPRESSURE: 2239600 -112.542 -4.53041 -172.997 33.9424 20.4834 -67.2874 -173.748 81.877 226.914 PRESSAVG: 2239600 -0.380492 -11.3314 -36.8199 -11.3314 -14.9691 53.1653 -36.8199 53.1654 15.2284 GPRESSAVG: 2239600 -0.0398728 -13.4153 -37.4701 -10.3045 -15.3456 52.5224 -38.6493 54.8239 15.3822 TIMING: 2239600 CPU: 7069.06, 0.00319284/step Wall: 7069.06, 0.00319284/step, 2.4482 hours remaining, 238.355469 MB of memory in use. ENERGY: 2239600 3895.5129 20661.1214 14460.2470 249.2234 -203722.7687 2571.0952 0.0000 0.0000 51743.6625 -110141.9063 297.3715 -161885.5688 -109787.9600 297.9846 18.1913 44.9518 759206.5057 -0.0404 -0.0011 PRESSURE: 2239800 51.9153 -181.107 -287.591 -181.108 447.479 -54.7822 -287.591 -54.7819 161.009 GPRESSURE: 2239800 40.0471 -200.452 -181.08 -140.724 450.965 -39.3772 -289.429 -26.1468 258.068 PRESSAVG: 2239800 -12.9698 -20.1229 -6.33894 -20.1229 54.1885 4.34259 -6.33892 4.34264 -12.203 GPRESSAVG: 2239800 -11.3456 -17.2515 -4.57954 -20.9761 52.385 4.87495 -5.41167 3.90931 -11.8516 TIMING: 2239800 CPU: 7069.7, 0.00317446/step Wall: 7069.7, 0.00317446/step, 2.43393 hours remaining, 238.355469 MB of memory in use. ENERGY: 2239800 3871.7037 20522.9549 14379.0028 243.5529 -203763.2270 2708.3123 0.0000 0.0000 51834.7030 -110202.9974 297.8948 -162037.7004 -109852.5557 298.3600 220.1344 249.6933 758778.3744 9.6719 9.7293 PRESSURE: 2240000 -214.519 -194.422 192.728 -194.422 -82.7637 166.725 192.729 166.725 -55.7868 GPRESSURE: 2240000 -217.728 -213.228 253.011 -213.701 16.3267 266.449 206.84 20.9401 -40.4911 PRESSAVG: 2240000 -14.144 -60.3137 -50.8322 -60.3137 48.285 32.7171 -50.8323 32.7171 16.417 GPRESSAVG: 2240000 -14.8963 -63.6545 -52.2265 -57.445 49.5302 34.6589 -49.0956 30.1482 15.958 TIMING: 2240000 CPU: 7070.33, 0.00317539/step Wall: 7070.33, 0.00317539/step, 2.43446 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2240000 3987.7179 20460.3565 14400.5629 240.0611 -203438.0317 2336.7921 0.0000 0.0000 51873.5700 -110138.9712 298.1181 -162012.5412 -109779.2654 298.2077 -117.6898 -80.6307 758221.8809 16.8527 16.8640 PRESSURE: 2240200 -302.318 7.08812 13.1679 7.08773 -196.627 -353.29 13.1672 -353.288 -262.416 GPRESSURE: 2240200 -294.283 47.6239 61.4201 -79.2087 -159.544 -346.195 35.6637 -287.56 -241.6 PRESSAVG: 2240200 -31.4141 -41.5162 -54.5911 -41.5162 -0.0333752 -15.0926 -54.5911 -15.0926 11.3928 GPRESSAVG: 2240200 -30.7794 -39.9215 -55.066 -47.3774 -0.0661531 -16.1162 -55.2649 -12.9856 11.2425 TIMING: 2240200 CPU: 7070.97, 0.00318228/step Wall: 7070.97, 0.00318228/step, 2.43957 hours remaining, 238.355469 MB of memory in use. ENERGY: 2240200 3982.3738 20476.2744 14442.3580 251.6536 -203286.9722 2208.2737 0.0000 0.0000 52046.2314 -109879.8073 299.1104 -161926.0387 -109518.0773 298.1812 -253.7870 -231.8089 759343.6365 -6.6849 -6.5344 LDB: ============= START OF LOAD BALANCING ============== 7083.37 LDB: ============== END OF LOAD BALANCING =============== 7083.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7083.37 LDB: ============= START OF LOAD BALANCING ============== 7083.69 LDB: Largest compute 7066 load 0.035510 is 18.1% of average load 0.195807 LDB: Average compute 0.004405 is 2.2% of average load 0.195807 LDB: TIME 7083.7 LOAD: AVG 0.195807 MAX 0.217 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 7083.7 LOAD: AVG 0.195807 MAX 0.217 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: TIME 7083.7 LOAD: AVG 0.195807 MAX 0.217 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: ============== END OF LOAD BALANCING =============== 7083.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7083.7 PRESSURE: 2240400 47.7737 -18.3653 98.2088 -18.3644 241.274 26.8318 98.2095 26.832 -344.725 GPRESSURE: 2240400 65.7204 -17.9992 111.274 -0.367868 241.945 -10.4245 62.939 15.2081 -279.768 PRESSAVG: 2240400 10.0697 -7.76685 -42.0058 -7.76683 -40.205 -4.16501 -42.0058 -4.16511 18.0353 GPRESSAVG: 2240400 9.84189 -7.19269 -40.9911 -4.11602 -40.2222 -4.58894 -40.9662 -4.23104 17.6985 TIMING: 2240400 CPU: 7071.62, 0.00325691/step Wall: 7071.62, 0.00325691/step, 2.4966 hours remaining, 237.332031 MB of memory in use. ENERGY: 2240400 3965.1447 20461.2625 14388.7296 241.7398 -203494.9191 2508.7620 0.0000 0.0000 52073.8120 -109855.4685 299.2689 -161929.2805 -109490.8774 298.7259 -18.5592 9.2989 759341.3702 -4.0333 -4.2273 PRESSURE: 2240600 -148 74.0317 -146.056 74.0309 -203.104 -79.4041 -146.056 -79.4031 -148.185 GPRESSURE: 2240600 -52.6962 12.9164 -152.339 152.493 -198.885 -130.727 -50.4771 -53.3209 -149.327 PRESSAVG: 2240600 -45.9952 -0.176515 -14.7905 -0.176614 36.0893 -41.0749 -14.7905 -41.0748 -3.3177 GPRESSAVG: 2240600 -45.6798 0.852637 -16.0273 0.863589 34.9585 -41.6759 -14.9948 -41.2249 -2.17844 TIMING: 2240600 CPU: 7072.26, 0.0031786/step Wall: 7072.26, 0.0031786/step, 2.4364 hours remaining, 237.332031 MB of memory in use. ENERGY: 2240600 4035.5280 20552.8711 14500.3952 242.5033 -203547.4934 2524.7929 0.0000 0.0000 51920.0671 -109771.3360 298.3853 -161691.4030 -109423.2686 299.6096 -166.4296 -133.6363 760062.9663 -4.4079 -4.2999 PRESSURE: 2240800 -493.893 130.223 -70.8948 130.223 -46.6036 -110.997 -70.894 -110.996 -209.282 GPRESSURE: 2240800 -400.297 145.178 -33.5812 136.465 -77.532 -84.4687 -26.4916 4.08877 -176.636 PRESSAVG: 2240800 -3.8043 63.225 -54.7532 63.225 -7.57976 -4.53534 -54.7533 -4.53537 2.01048 GPRESSAVG: 2240800 -3.75532 60.9807 -52.5641 62.7556 -7.91908 -4.27765 -53.1678 -4.34973 2.27332 TIMING: 2240800 CPU: 7072.9, 0.00320198/step Wall: 7072.9, 0.00320198/step, 2.45414 hours remaining, 237.332031 MB of memory in use. ENERGY: 2240800 3919.7616 20583.3682 14431.2990 253.4988 -203032.3030 2063.8941 0.0000 0.0000 51818.6788 -109961.8026 297.8027 -161780.4814 -109601.3472 298.3264 -249.9261 -218.1551 760300.8919 -3.1245 -3.1337 PRESSURE: 2241000 38.8181 -84.5799 -49.1943 -84.5799 -374.618 27.7503 -49.194 27.75 23.4473 GPRESSURE: 2241000 23.0364 173.008 -93.4865 -57.95 -301.235 50.4742 37.1322 -133.709 61.2107 PRESSAVG: 2241000 -4.60282 30.2572 -15.8585 30.2571 -2.59494 13.1972 -15.8585 13.1972 -13.8788 GPRESSAVG: 2241000 -5.70893 35.0474 -17.6952 29.2116 -2.59771 13.1766 -16.9081 12.8854 -13.5053 TIMING: 2241000 CPU: 7073.53, 0.00318858/step Wall: 7073.53, 0.00318858/step, 2.44369 hours remaining, 237.332031 MB of memory in use. ENERGY: 2241000 4008.6918 20628.5034 14372.4547 229.5310 -203535.2397 2639.0852 0.0000 0.0000 51768.4283 -109888.5454 297.5139 -161656.9737 -109537.6006 298.6902 -104.1174 -72.3292 760401.7890 -7.0255 -7.2706 PRESSURE: 2241200 274.676 -96.9353 279.962 -96.935 -34.0245 108.342 279.962 108.343 174.971 GPRESSURE: 2241200 327.546 -90.9491 193.359 -147.338 -90.2272 62.5045 264.313 10.9044 275.108 PRESSAVG: 2241200 97.4403 -12.9162 12.9832 -12.9162 -53.0886 -33.0057 12.9831 -33.0057 0.591268 GPRESSAVG: 2241200 97.2198 -17.0707 13.907 -12.3177 -51.9513 -33.4602 12.6089 -32.1248 -0.15497 TIMING: 2241200 CPU: 7074.17, 0.00318024/step Wall: 7074.17, 0.00318024/step, 2.43712 hours remaining, 237.332031 MB of memory in use. ENERGY: 2241200 3939.0323 20577.5450 14389.0300 216.8220 -203785.3252 2637.7583 0.0000 0.0000 52080.8593 -109944.2783 299.3094 -162025.1376 -109580.3945 298.4094 138.5410 170.8088 759452.2725 14.9810 15.0378 PRESSURE: 2241400 -379.195 -249.436 -30.5665 -249.436 -367.273 -99.5546 -30.5667 -99.5546 -125.914 GPRESSURE: 2241400 -345.374 -270.087 -7.49055 -257.894 -313.974 -113.398 47.6383 -65.2288 -116.495 PRESSAVG: 2241400 -23.8595 -41.6403 -17.5595 -41.6404 -51.0184 37.2559 -17.5594 37.2559 -2.4538 GPRESSAVG: 2241400 -22.7395 -38.8849 -19.4688 -43.1914 -51.0381 38.1459 -15.9645 36.8005 -3.03461 TIMING: 2241400 CPU: 7074.81, 0.00320047/step Wall: 7074.81, 0.00320047/step, 2.45245 hours remaining, 237.332031 MB of memory in use. ENERGY: 2241400 4042.2734 20526.8628 14450.0102 268.6439 -203713.5721 2710.9179 0.0000 0.0000 51835.6771 -109879.1869 297.9003 -161714.8640 -109519.8582 298.2540 -290.7937 -258.6143 762056.7533 -25.7772 -25.6041 PRESSURE: 2241600 -75.0587 -27.8003 -125.556 -27.8002 27.0042 135.523 -125.557 135.523 -83.1205 GPRESSURE: 2241600 9.17383 11.8761 -56.7337 -0.0637892 96.0662 214.694 -13.3016 -44.9322 -157.864 PRESSAVG: 2241600 -5.22645 -54.1678 -7.57793 -54.1678 10.5516 1.82575 -7.57795 1.82574 -3.4305 GPRESSAVG: 2241600 -5.53011 -54.1039 -6.6176 -53.2625 10.3338 3.63508 -7.80049 1.02362 -2.67125 TIMING: 2241600 CPU: 7075.45, 0.00319071/step Wall: 7075.45, 0.00319071/step, 2.44479 hours remaining, 237.332031 MB of memory in use. ENERGY: 2241600 3999.7273 20464.5196 14410.1178 262.7005 -203515.0105 2543.2836 0.0000 0.0000 51914.2456 -109920.4161 298.3519 -161834.6617 -109563.2286 298.3447 -43.7250 -17.5413 761500.3711 0.6316 0.7108 PRESSURE: 2241800 32.6863 -21.5619 -49.5234 -21.5616 -181.624 220.301 -49.5225 220.301 -171.487 GPRESSURE: 2241800 129.38 -9.64435 -193.57 62.2898 -107.686 216.212 3.00138 169.444 -262.658 PRESSAVG: 2241800 -7.76035 -17.9458 -4.95743 -17.9458 -14.6807 20.4709 -4.95735 20.4709 -9.89374 GPRESSAVG: 2241800 -8.33388 -20.1099 -6.46438 -18.7649 -14.0062 17.7547 -5.47553 22.799 -10.1376 TIMING: 2241800 CPU: 7076.09, 0.00319414/step Wall: 7076.09, 0.00319414/step, 2.44724 hours remaining, 237.332031 MB of memory in use. ENERGY: 2241800 3995.7955 20483.5038 14363.1541 249.3009 -203490.6313 2661.9459 0.0000 0.0000 52165.4209 -109571.5103 299.7954 -161736.9312 -109212.6638 298.0061 -106.8083 -80.3214 761118.5974 -10.7783 -10.8259 PRESSURE: 2242000 -71.3446 -132.484 -190.755 -132.483 27.5838 -102.16 -190.755 -102.163 -156.728 GPRESSURE: 2242000 8.04408 -199.526 -132.534 -78.1018 -30.9718 -63.1507 -45.5773 -122.931 -92.2081 PRESSAVG: 2242000 56.5495 -34.7442 -21.416 -34.7441 2.37526 12.916 -21.416 12.916 -20.9281 GPRESSAVG: 2242000 56.1433 -33.3625 -20.2835 -34.934 2.60612 13.0564 -21.2349 11.0384 -20.7421 TIMING: 2242000 CPU: 7076.73, 0.00320815/step Wall: 7076.73, 0.00320815/step, 2.4578 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2242000 3932.4747 20567.8257 14418.8957 252.4367 -203925.7850 2942.2639 0.0000 0.0000 52049.2165 -109762.6718 299.1276 -161811.8883 -109404.4013 299.1031 -66.8298 -38.3786 762125.3021 12.6655 12.6691 PRESSURE: 2242200 -102.587 -91.2647 63.9088 -91.2654 82.6019 82.9526 63.9093 82.9528 -154.727 GPRESSURE: 2242200 -81.2483 -50.6474 18.0976 -121.615 119.96 118.459 187.348 -102.642 -136.199 PRESSAVG: 2242200 -6.40799 1.65604 15.5972 1.65606 3.60832 17.7839 15.5972 17.7839 -4.39474 GPRESSAVG: 2242200 -5.30078 2.73008 16.215 1.98267 1.67999 19.0059 16.0839 16.6426 -3.17585 TIMING: 2242200 CPU: 7077.37, 0.00318446/step Wall: 7077.37, 0.00318446/step, 2.43947 hours remaining, 237.332031 MB of memory in use. ENERGY: 2242200 3973.7507 20638.6857 14441.7313 222.4410 -203776.1172 2661.9813 0.0000 0.0000 52240.0729 -109597.4543 300.2244 -161837.5272 -109240.1619 298.5272 -58.2376 -32.4958 762081.1585 -2.3981 -2.2655 PRESSURE: 2242400 -200.586 171.557 -21.2916 171.556 -121.321 335.281 -21.2912 335.281 -250.41 GPRESSURE: 2242400 -160.695 246.42 13.3548 85.5877 -48.9642 319.735 1.23549 228.489 -288.32 PRESSAVG: 2242400 -9.95386 3.15971 -2.0509 3.15967 -6.57291 76.4764 -2.05088 76.4764 8.15852 GPRESSAVG: 2242400 -10.8263 1.28162 -3.05929 4.77401 -5.3425 76.8165 -4.52347 76.733 7.55116 TIMING: 2242400 CPU: 7078, 0.00317321/step Wall: 7078, 0.00317321/step, 2.43068 hours remaining, 237.332031 MB of memory in use. ENERGY: 2242400 4019.7700 20484.9387 14509.0039 250.9750 -203236.3906 2339.2073 0.0000 0.0000 52177.0514 -109455.4443 299.8622 -161632.4957 -109083.0362 298.9677 -190.7724 -165.9929 762156.5634 -2.7894 -2.8725 PRESSURE: 2242600 -47.579 29.6037 325.867 29.6041 -107.615 -225.23 325.866 -225.231 -329.766 GPRESSURE: 2242600 -122.738 46.3456 249.54 18.8654 122.862 -193.655 348.567 -187.778 -407.825 PRESSAVG: 2242600 -33.7146 -35.414 -10.6625 -35.414 20.8441 32.4169 -10.6625 32.4169 -0.274607 GPRESSAVG: 2242600 -32.3423 -33.5925 -9.92618 -37.1148 19.9537 33.7887 -8.42911 32.1011 -0.421651 TIMING: 2242600 CPU: 7078.64, 0.00318832/step Wall: 7078.64, 0.00318832/step, 2.44207 hours remaining, 237.332031 MB of memory in use. ENERGY: 2242600 4004.5237 20621.7897 14483.4632 259.6065 -203055.4195 2078.3370 0.0000 0.0000 51749.5144 -109858.1848 297.4052 -161607.6992 -109500.1329 298.9520 -161.6533 -135.9001 760704.7350 -4.3817 -4.2701 PRESSURE: 2242800 -292.974 -36.7332 308.923 -36.7328 -402.33 -136.942 308.923 -136.942 -139.28 GPRESSURE: 2242800 -230.166 -3.89561 328.318 -14.1047 -387.648 -119.346 199.303 -102.882 -138.483 PRESSAVG: 2242800 34.5216 -8.97537 49.734 -8.97539 -52.3333 45.2768 49.7341 45.2767 -21.1602 GPRESSAVG: 2242800 33.3064 -9.86742 50.0312 -9.18383 -52.4733 43.2564 49.688 45.4035 -19.9917 TIMING: 2242800 CPU: 7079.28, 0.00318831/step Wall: 7079.28, 0.00318831/step, 2.44189 hours remaining, 237.332031 MB of memory in use. ENERGY: 2242800 3934.9068 20495.0960 14413.3474 241.8921 -202968.5542 2196.0599 0.0000 0.0000 51896.5112 -109790.7408 298.2500 -161687.2521 -109432.9492 298.6578 -278.1944 -252.0987 761824.0105 -12.9906 -13.0529 PRESSURE: 2243000 -93.0041 42.7564 -166.618 42.7575 -131.137 -107.522 -166.618 -107.523 -333.643 GPRESSURE: 2243000 83.5015 62.3774 -224.587 -57.6506 -208.832 -124.229 -164.778 -45.5027 -346.859 PRESSAVG: 2243000 52.1792 7.48903 36.5007 7.489 -43.6622 -34.1833 36.5008 -34.1834 -40.1123 GPRESSAVG: 2243000 52.6219 8.77489 36.9964 6.47179 -44.2276 -32.8335 34.1601 -33.4225 -40.4366 TIMING: 2243000 CPU: 7079.92, 0.00320444/step Wall: 7079.92, 0.00320444/step, 2.45407 hours remaining, 237.332031 MB of memory in use. ENERGY: 2243000 4012.1148 20372.8407 14439.6184 243.0072 -203346.3420 2298.2069 0.0000 0.0000 52284.3528 -109696.2012 300.4789 -161980.5540 -109334.2472 298.6184 -185.9281 -157.3966 762092.0082 -10.5318 -10.6807 PRESSURE: 2243200 -139.733 2.51075 -31.0267 2.51164 -521.3 98.5822 -31.0269 98.5829 -238.328 GPRESSURE: 2243200 -137.642 -49.6506 -28.431 -59.4505 -466.773 80.668 -10.5575 123.259 -219.162 PRESSAVG: 2243200 45.5461 -38.2176 13.7866 -38.2176 -18.7823 13.401 13.7866 13.4009 -7.76765 GPRESSAVG: 2243200 45.3138 -40.1253 13.908 -37.3601 -17.5971 13.8489 14.406 11.5107 -8.36203 TIMING: 2243200 CPU: 7080.56, 0.0032002/step Wall: 7080.56, 0.0032002/step, 2.45064 hours remaining, 237.332031 MB of memory in use. ENERGY: 2243200 4015.8567 20419.7685 14483.7624 255.9832 -203096.9084 2111.2934 0.0000 0.0000 51991.8865 -109818.3577 298.7981 -161810.2442 -109449.6562 298.8208 -299.7873 -274.5254 762786.0526 6.3320 6.4515 PRESSURE: 2243400 -25.8533 -63.2963 47.8896 -63.2957 -25.7553 40.4832 47.8895 40.4844 11.4467 GPRESSURE: 2243400 -21.7353 -173.147 87.0754 -8.87243 -48.6107 117.702 185.545 44.9748 101.139 PRESSAVG: 2243400 50.9347 -28.2576 -8.24073 -28.2576 -56.5512 38.0182 -8.24069 38.0182 -3.46464 GPRESSAVG: 2243400 50.8614 -27.5933 -7.59831 -25.9512 -56.657 35.7314 -7.50729 40.3063 -3.74381 TIMING: 2243400 CPU: 7081.2, 0.00319744/step Wall: 7081.2, 0.00319744/step, 2.44835 hours remaining, 237.332031 MB of memory in use. ENERGY: 2243400 3977.5602 20554.6004 14476.3064 253.6890 -203692.5786 2627.9516 0.0000 0.0000 51883.6752 -109918.7958 298.1762 -161802.4710 -109541.1025 298.7719 -13.3873 10.2643 757967.7702 -3.0271 -3.1798 PRESSURE: 2243600 41.721 48.3025 17.4294 48.3022 -40.8505 246.416 17.4288 246.416 95.2434 GPRESSURE: 2243600 72.9205 45.4847 65.4149 -24.7019 -77.4049 250.134 33.3603 228.032 158.369 PRESSAVG: 2243600 22.1994 11.2134 42.431 11.2134 -32.1174 37.8852 42.4311 37.8852 -7.45704 GPRESSAVG: 2243600 22.9271 10.5547 40.4348 10.1989 -33.4945 39.7201 44.2584 37.4233 -7.04817 TIMING: 2243600 CPU: 7081.84, 0.00319709/step Wall: 7081.84, 0.00319709/step, 2.44791 hours remaining, 237.332031 MB of memory in use. ENERGY: 2243600 4005.5928 20418.8670 14517.1671 240.9527 -203520.6549 2401.8718 0.0000 0.0000 52337.3886 -109598.8149 300.7837 -161936.2034 -109242.5623 298.2087 32.0380 51.2950 759471.4456 -5.7917 -5.8719 PRESSURE: 2243800 -30.9575 -42.8895 -125.768 -42.8904 19.5346 -191.085 -125.766 -191.085 13.5449 GPRESSURE: 2243800 32.2026 -126.902 -151.863 -19.1928 51.1401 -149.922 -14.5327 51.6638 -3.89681 PRESSAVG: 2243800 -3.98903 -47.5322 4.69344 -47.5322 -12.1458 44.7967 4.69343 44.7967 -16.0766 GPRESSAVG: 2243800 -4.2832 -47.8534 5.56789 -45.3528 -12.4036 44.6311 3.30511 45.5565 -16.1098 TIMING: 2243800 CPU: 7082.47, 0.00318254/step Wall: 7082.47, 0.00318254/step, 2.43659 hours remaining, 237.332031 MB of memory in use. ENERGY: 2243800 3947.6575 20579.8361 14430.3118 243.3676 -203301.3588 2511.6983 0.0000 0.0000 52106.7199 -109481.7678 299.4580 -161588.4877 -109117.0211 299.5812 0.7073 26.4820 762024.1775 -10.7371 -10.9322 PRESSURE: 2244000 171.909 -15.8067 -84.0745 -15.806 48.2922 264.069 -84.0732 264.069 245.317 GPRESSURE: 2244000 221.381 -100.135 34.4037 -43.3392 102.485 408.585 -192.632 56.3614 212.722 PRESSAVG: 2244000 -1.37151 2.7943 11.7687 2.79434 -22.8997 12.4581 11.7686 12.4581 0.597147 GPRESSAVG: 2244000 -2.07884 3.91467 12.9696 1.09558 -22.3457 12.5992 12.0401 10.1462 1.1501 TIMING: 2244000 CPU: 7083.11, 0.00318555/step Wall: 7083.11, 0.00318555/step, 2.43872 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2244000 3976.8385 20521.9320 14389.0022 227.5195 -202918.1984 2245.8029 0.0000 0.0000 52139.8461 -109417.2572 299.6484 -161557.1034 -109049.4502 299.7411 155.1726 178.8625 760883.9809 -7.8913 -7.7581 PRESSURE: 2244200 232.138 182.33 -23.6938 182.33 -224.493 103.781 -23.6937 103.78 35.3138 GPRESSURE: 2244200 283.889 161.137 -38.9563 105.969 -175.631 137.196 -69.6684 103.15 35.268 PRESSAVG: 2244200 77.4225 -1.85547 -30.8192 -1.85553 -40.304 30.41 -30.8192 30.41 36.4812 GPRESSAVG: 2244200 79.062 -2.46002 -31.9783 -2.72482 -41.1825 31.1448 -29.8376 32.5896 35.7497 TIMING: 2244200 CPU: 7083.75, 0.00319899/step Wall: 7083.75, 0.00319899/step, 2.44883 hours remaining, 237.332031 MB of memory in use. ENERGY: 2244200 3952.0608 20633.2363 14444.8866 231.4983 -203388.9874 2487.1307 0.0000 0.0000 52164.0200 -109476.1548 299.7873 -161640.1748 -109112.2504 300.0753 14.3198 47.8422 759256.6711 24.5332 24.5431 LDB: ============= START OF LOAD BALANCING ============== 7096.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7096.15 LDB: =============== DONE WITH MIGRATION ================ 7096.15 LDB: ============= START OF LOAD BALANCING ============== 7096.47 LDB: Largest compute 7067 load 0.033821 is 17.3% of average load 0.195865 LDB: Average compute 0.004372 is 2.2% of average load 0.195865 LDB: TIME 7096.47 LOAD: AVG 0.195865 MAX 0.215307 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 7096.47 LOAD: AVG 0.195865 MAX 0.215307 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: TIME 7096.47 LOAD: AVG 0.195865 MAX 0.215307 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: ============== END OF LOAD BALANCING =============== 7096.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7096.48 PRESSURE: 2244400 -23.6188 -31.3376 -77.6566 -31.3385 88.4812 75.2492 -77.6575 75.249 -214.567 GPRESSURE: 2244400 94.0653 -49.4833 -149.361 -229.28 92.9688 102.72 -27.396 69.6083 -260.157 PRESSAVG: 2244400 17.1716 -10.2075 -26.9182 -10.2075 -34.9462 51.1391 -26.9183 51.1391 -20.3644 GPRESSAVG: 2244400 16.2814 -11.7632 -27.7863 -8.45961 -34.07 51.0024 -26.7 49.6139 -20.4061 TIMING: 2244400 CPU: 7084.4, 0.00324341/step Wall: 7084.4, 0.00324341/step, 2.48265 hours remaining, 237.332031 MB of memory in use. ENERGY: 2244400 3991.8405 20473.1944 14469.5216 244.6512 -203298.3300 2541.2378 0.0000 0.0000 52270.6737 -109307.2108 300.4003 -161577.8845 -108947.2630 299.8728 -49.9014 -24.3741 761294.9346 -12.7130 -12.7316 PRESSURE: 2244600 59.4662 -259.583 373.184 -259.583 -17.6328 -66.2875 373.184 -66.2876 576.312 GPRESSURE: 2244600 93.0756 -117.417 304.601 -273.802 87.8124 22.184 316.393 -110.332 515.249 PRESSAVG: 2244600 44.6147 -51.9516 -28.4454 -51.9516 -45.7888 39.1081 -28.4455 39.1081 15.3702 GPRESSAVG: 2244600 44.4294 -49.1463 -28.2752 -51.8347 -44.8529 38.1651 -28.4922 37.8257 14.7527 TIMING: 2244600 CPU: 7085.04, 0.00319016/step Wall: 7085.04, 0.00319016/step, 2.44172 hours remaining, 237.332031 MB of memory in use. ENERGY: 2244600 3997.7936 20522.6516 14386.4198 241.6459 -203065.9631 2554.5113 0.0000 0.0000 52062.4209 -109300.5200 299.2034 -161362.9409 -108933.3698 299.5944 206.0486 232.0458 760923.6075 4.7320 4.7764 PRESSURE: 2244800 -72.7782 -19.3465 169.749 -19.347 173.07 134.05 169.748 134.05 -103.208 GPRESSURE: 2244800 -19.1562 7.97601 79.9343 31.5126 165.696 115.883 69.4462 176.011 -66.0646 PRESSAVG: 2244800 54.9066 -66.4808 40.2077 -66.4808 -107.913 44.5771 40.2077 44.5771 -10.5543 GPRESSAVG: 2244800 53.7127 -67.561 40.8007 -66.144 -107.294 44.9423 39.6066 46.1958 -9.92487 TIMING: 2244800 CPU: 7085.67, 0.00316593/step Wall: 7085.67, 0.00316593/step, 2.42299 hours remaining, 237.332031 MB of memory in use. ENERGY: 2244800 4116.9080 20429.1663 14429.2554 242.5546 -203463.5638 2795.2415 0.0000 0.0000 52254.3842 -109196.0538 300.3067 -161450.4380 -108833.9640 299.8280 -0.9720 26.8249 760081.9841 -21.1870 -21.1686 PRESSURE: 2245000 -11.5555 -123.479 118.922 -123.478 -76.3012 -2.46568 118.922 -2.46518 -432.468 GPRESSURE: 2245000 -42.7934 -92.1026 96.1941 -97.7605 2.17269 38.5642 151.206 -31.2534 -375.195 PRESSAVG: 2245000 79.7198 -45.297 34.9987 -45.297 -35.2136 59.879 34.9987 59.8791 24.4258 GPRESSAVG: 2245000 80.2208 -43.976 33.9234 -44.3815 -35.247 59.0745 34.9994 61.3373 23.1718 TIMING: 2245000 CPU: 7086.31, 0.00318105/step Wall: 7086.31, 0.00318104/step, 2.43438 hours remaining, 237.332031 MB of memory in use. ENERGY: 2245000 4010.0974 20474.2501 14470.4041 262.0093 -203220.7532 2336.9466 0.0000 0.0000 52541.9193 -109125.1264 301.9591 -161667.0457 -108748.5125 300.2250 -173.4414 -138.6052 760932.1379 22.9773 22.7152 PRESSURE: 2245200 -46.3411 -254.33 228.775 -254.329 -252.185 -96.3894 228.775 -96.3904 -110.903 GPRESSURE: 2245200 -43.8073 -117.029 268.629 -197.426 -245.688 -54.1668 218.436 -136.674 -33.246 PRESSAVG: 2245200 57.426 -37.1846 -9.72215 -37.1846 -79.5481 19.0156 -9.72214 19.0155 -11.6154 GPRESSAVG: 2245200 57.0332 -38.1133 -7.9418 -38.0652 -81.6633 20.1973 -8.65095 18.1744 -9.5203 TIMING: 2245200 CPU: 7086.94, 0.00316292/step Wall: 7086.94, 0.00316292/step, 2.42033 hours remaining, 237.332031 MB of memory in use. ENERGY: 2245200 3953.0220 20499.1966 14527.3060 247.9731 -203056.1975 2278.8920 0.0000 0.0000 52466.2683 -109083.5395 301.5244 -161549.8078 -108724.1227 300.7410 -136.4762 -107.5803 760647.1682 -11.2459 -11.3835 PRESSURE: 2245400 68.0357 -69.7498 62.8981 -69.7508 21.9228 -21.5126 62.8977 -21.5125 -180.964 GPRESSURE: 2245400 219.94 -145.532 68.229 -134.957 -45.4946 -16.4077 -26.9652 -120.415 -185.066 PRESSAVG: 2245400 111.589 -12.6993 -25.4408 -12.6992 -55.5612 16.3546 -25.4408 16.3547 12.9894 GPRESSAVG: 2245400 112.471 -12.4293 -26.1776 -14.3087 -55.081 14.7666 -28.8488 14.4084 11.1311 TIMING: 2245400 CPU: 7087.57, 0.00317362/step Wall: 7087.57, 0.00317362/step, 2.42835 hours remaining, 237.332031 MB of memory in use. ENERGY: 2245400 3965.2073 20567.5436 14407.9462 256.4755 -202960.9147 2314.0600 0.0000 0.0000 52255.6365 -109194.0456 300.3139 -161449.6821 -108839.3659 300.5028 -30.3352 -3.5401 758250.8801 23.0059 22.8404 PRESSURE: 2245600 53.5422 67.9122 -20.2525 67.9128 23.5495 -211.122 -20.2525 -211.121 74.7702 GPRESSURE: 2245600 32.633 151.822 -13.599 84.7049 117.462 -194.904 -34.4551 -207.229 89.2773 PRESSAVG: 2245600 8.45174 -6.8713 -14.7035 -6.87132 15.3371 -17.4605 -14.7036 -17.4605 -5.33309 GPRESSAVG: 2245600 6.75394 -8.15002 -14.6461 -6.14123 15.7537 -16.9214 -13.0175 -16.4007 -3.64943 TIMING: 2245600 CPU: 7088.21, 0.00317234/step Wall: 7088.21, 0.00317234/step, 2.42719 hours remaining, 237.332031 MB of memory in use. ENERGY: 2245600 3971.8900 20463.5149 14415.3905 255.6008 -203216.7000 2529.4201 0.0000 0.0000 52291.8102 -109289.0736 300.5218 -161580.8838 -108927.2763 300.0580 50.6206 79.7908 759458.4119 6.1519 6.2861 PRESSURE: 2245800 -21.0593 -136.384 153.6 -136.384 -39.0853 163.752 153.599 163.751 259.493 GPRESSURE: 2245800 -31.7332 -170.076 178.739 -205.68 73.1845 251.675 12.8185 17.8962 224.903 PRESSAVG: 2245800 8.66365 -1.25479 -51.339 -1.25479 18.5877 -28.7029 -51.339 -28.7029 8.42061 GPRESSAVG: 2245800 8.79912 1.92404 -50.7407 -2.48827 18.6033 -26.709 -53.6388 -29.3401 8.32602 TIMING: 2245800 CPU: 7088.84, 0.00317495/step Wall: 7088.84, 0.00317495/step, 2.42901 hours remaining, 237.332031 MB of memory in use. ENERGY: 2245800 4024.3927 20546.4878 14454.1850 229.6344 -202848.1527 2262.5710 0.0000 0.0000 52011.6798 -109319.2020 298.9118 -161330.8818 -108953.9824 300.1537 66.4496 88.7849 760900.2422 11.8906 11.9095 PRESSURE: 2246000 16.0539 65.5715 -3.01474 65.5719 75.9421 82.801 -3.01487 82.8021 73.3759 GPRESSURE: 2246000 85.7934 -48.1038 92.7767 68.4391 68.3578 87.1837 176.889 12.2656 87.6314 PRESSAVG: 2246000 1.17216 17.1175 -12.4985 17.1175 -20.6481 -9.74814 -12.4985 -9.74821 8.63846 GPRESSAVG: 2246000 1.81346 15.5068 -12.3816 18.0104 -20.697 -12.3959 -10.3657 -7.72176 7.85567 TIMING: 2246000 CPU: 7089.48, 0.00320442/step Wall: 7089.48, 0.00320442/step, 2.45138 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2246000 4055.7295 20521.5279 14434.6451 248.7355 -203378.7530 2692.7212 0.0000 0.0000 52326.0158 -109099.3779 300.7183 -161425.3938 -108745.3428 300.2413 55.1240 80.5942 760870.8810 -3.6125 -3.6759 PRESSURE: 2246200 -126.717 -311.466 -29.7937 -311.467 -279.255 -35.2504 -29.794 -35.2502 29.4108 GPRESSURE: 2246200 -53.8415 -327.374 16.5903 -271.755 -176.396 -34.3031 -167.27 -29.3675 -40.9967 PRESSAVG: 2246200 26.5072 -46.0468 10.085 -46.0468 0.750887 -0.68454 10.085 -0.684459 -3.5701 GPRESSAVG: 2246200 27.3563 -46.2862 10.5609 -47.2837 0.801926 1.56507 8.72865 -2.53391 -3.65869 TIMING: 2246200 CPU: 7090.12, 0.00319107/step Wall: 7090.12, 0.00319107/step, 2.44099 hours remaining, 237.332031 MB of memory in use. ENERGY: 2246200 3909.0253 20773.8647 14454.2025 232.8671 -203052.9775 2187.1608 0.0000 0.0000 52274.5682 -109221.2887 300.4227 -161495.8570 -108858.1452 300.2840 -125.5204 -90.4114 760041.7888 7.8960 8.1665 PRESSURE: 2246400 148.54 -127.862 214.237 -127.862 133.863 77.1728 214.236 77.1728 -379.749 GPRESSURE: 2246400 156.656 -97.4758 264.23 -149.649 80.2012 -32.1595 214.462 48.366 -261.65 PRESSAVG: 2246400 30.7285 -87.6559 -26.8961 -87.6559 -37.7643 -17.8447 -26.8962 -17.8448 -5.78624 GPRESSAVG: 2246400 29.5675 -87.6273 -27.64 -87.5832 -38.384 -19.9604 -25.5754 -17.4765 -4.83272 TIMING: 2246400 CPU: 7090.76, 0.00317645/step Wall: 7090.76, 0.00317645/step, 2.42963 hours remaining, 237.332031 MB of memory in use. ENERGY: 2246400 4047.2479 20643.8346 14454.3998 258.7919 -203547.2020 2667.4479 0.0000 0.0000 52221.9792 -109253.5007 300.1204 -161475.4799 -108875.5642 300.2765 -32.4487 -8.2642 760571.0334 -4.2740 -4.5498 PRESSURE: 2246600 -26.4208 171.621 -96.7493 171.621 -297.695 246.014 -96.7489 246.014 -256.983 GPRESSURE: 2246600 18.4924 222.541 -10.4368 94.6437 -255.933 290.975 -119.765 124.422 -278.005 PRESSAVG: 2246600 4.96015 -23.2908 -5.71364 -23.2908 14.5496 -18.1192 -5.71362 -18.1193 -6.74589 GPRESSAVG: 2246600 6.06985 -24.5284 -6.62816 -22.2692 14.9417 -18.7413 -3.72707 -17.3851 -8.27571 TIMING: 2246600 CPU: 7091.39, 0.00315958/step Wall: 7091.39, 0.00315958/step, 2.41655 hours remaining, 237.332031 MB of memory in use. ENERGY: 2246600 4071.1697 20558.6365 14480.3433 253.3996 -203251.5984 2468.6671 0.0000 0.0000 52092.5768 -109326.8053 299.3768 -161419.3821 -108974.6462 300.4707 -193.6996 -171.8150 760900.3354 4.2546 4.2453 PRESSURE: 2246800 -88.7594 28.5885 45.7469 28.5884 191.899 -52.6426 45.7476 -52.6423 -91.7235 GPRESSURE: 2246800 -90.1767 30.4675 4.23786 191.268 251.205 -88.7639 94.4312 -24.9924 -65.9584 PRESSAVG: 2246800 -11.2252 -37.087 12.4377 -37.0871 16.5641 -5.53212 12.4377 -5.53217 -3.98145 GPRESSAVG: 2246800 -10.7324 -36.717 11.3943 -35.782 15.5105 -5.41285 11.01 -6.50453 -2.86213 TIMING: 2246800 CPU: 7092.02, 0.00318328/step Wall: 7092.02, 0.00318328/step, 2.4345 hours remaining, 237.332031 MB of memory in use. ENERGY: 2246800 3947.6284 20675.1202 14404.4448 257.2114 -203084.9831 2306.3636 0.0000 0.0000 52362.8885 -109131.3263 300.9302 -161494.2148 -108755.9911 300.3463 3.8052 31.6900 761361.6566 0.4525 0.6386 PRESSURE: 2247000 -178.925 19.2138 27.5013 19.214 -107.408 -203.495 27.5011 -203.495 -404.811 GPRESSURE: 2247000 -181.979 22.115 66.2225 167.988 -16.7976 -209.421 -3.24716 -134.005 -419.629 PRESSAVG: 2247000 11.541 -7.71104 5.73441 -7.71095 -3.45707 13.1297 5.73436 13.1297 -11.0356 GPRESSAVG: 2247000 12.49 -8.61581 6.17526 -8.70395 -1.57009 14.9893 5.84916 13.6568 -13.2482 TIMING: 2247000 CPU: 7092.66, 0.00317678/step Wall: 7092.66, 0.00317678/step, 2.42936 hours remaining, 237.332031 MB of memory in use. ENERGY: 2247000 4013.0333 20585.8625 14437.2063 259.2712 -203354.1736 2633.6067 0.0000 0.0000 52320.5005 -109104.6931 300.6866 -161425.1937 -108742.5500 300.6029 -230.3813 -206.1351 761101.6866 -0.9839 -0.7761 PRESSURE: 2247200 32.2926 79.7403 195.167 79.7405 43.7483 -130.8 195.167 -130.8 -285.538 GPRESSURE: 2247200 139.791 84.9609 182.833 210.456 -49.1035 -115.26 131.148 -140.027 -196.445 PRESSAVG: 2247200 88.0113 -7.07032 30.5757 -7.0703 -62.1466 -20.1517 30.5757 -20.1517 -17.6875 GPRESSAVG: 2247200 85.9989 -6.76458 30.9598 -5.74468 -62.7747 -21.6213 28.4939 -20.549 -14.9882 TIMING: 2247200 CPU: 7093.3, 0.0031803/step Wall: 7093.3, 0.0031803/step, 2.43187 hours remaining, 237.332031 MB of memory in use. ENERGY: 2247200 4039.0221 20435.7908 14469.8258 233.9689 -203256.4319 2705.0122 0.0000 0.0000 52465.6110 -108907.2009 301.5206 -161372.8120 -108542.9506 300.5026 -69.8323 -35.2525 761540.2337 2.7257 2.7453 PRESSURE: 2247400 364.722 48.0866 184.308 48.0872 576.563 235.219 184.308 235.22 373.158 GPRESSURE: 2247400 410.401 77.9112 239.952 -77.2384 498.557 113.764 202.698 123.841 493.653 PRESSAVG: 2247400 55.4027 9.68872 33.318 9.68879 1.96637 34.9994 33.3181 34.9994 3.0003 GPRESSAVG: 2247400 54.5903 11.6024 35.3081 8.30166 2.50037 33.9256 33.4142 34.8058 2.87512 TIMING: 2247400 CPU: 7093.94, 0.00319434/step Wall: 7093.94, 0.00319434/step, 2.44243 hours remaining, 237.332031 MB of memory in use. ENERGY: 2247400 3989.5840 20660.4765 14505.9224 254.8032 -203467.3875 2929.3800 0.0000 0.0000 52186.8934 -108940.3281 299.9188 -161127.2215 -108583.4741 300.7800 438.1476 467.5371 761376.4528 20.1231 19.9886 PRESSURE: 2247600 -555.336 163.846 -26.4851 163.847 42.109 -77.4757 -26.4864 -77.4752 -54.5487 GPRESSURE: 2247600 -435.291 45.6024 -19.8787 168.013 60.2811 -160.978 -109.431 23.3431 -101.61 PRESSAVG: 2247600 7.61297 55.0774 8.29203 55.0775 21.0442 43.8874 8.29202 43.8874 19.6668 GPRESSAVG: 2247600 10.095 54.0892 6.50422 55.8497 19.9031 44.9324 9.80254 43.3253 18.9146 TIMING: 2247600 CPU: 7094.58, 0.00322717/step Wall: 7094.58, 0.00322717/step, 2.46735 hours remaining, 237.332031 MB of memory in use. ENERGY: 2247600 3952.5134 20513.9636 14506.5049 251.0278 -203146.7666 2522.5621 0.0000 0.0000 52290.0865 -109110.1082 300.5118 -161400.1947 -108736.0876 301.0322 -189.2585 -158.8733 763717.4135 16.1080 16.3042 PRESSURE: 2247800 378.002 -5.7914 263.085 -5.79184 -99.7196 -94.6887 263.086 -94.688 182.635 GPRESSURE: 2247800 376.74 17.8499 189.243 -83.954 -35.4609 17.9474 287.182 -210.057 181.983 PRESSAVG: 2247800 -9.71349 -26.3022 14.1901 -26.3022 33.538 -31.2549 14.1901 -31.2549 9.43373 GPRESSAVG: 2247800 -10.7627 -27.7628 13.4677 -25.3288 34.6583 -30.4636 14.1911 -31.0483 9.66858 TIMING: 2247800 CPU: 7095.23, 0.0032327/step Wall: 7095.23, 0.0032327/step, 2.4714 hours remaining, 237.332031 MB of memory in use. ENERGY: 2247800 4016.3257 20666.2000 14426.6811 257.3671 -203096.1240 2315.0561 0.0000 0.0000 52244.8280 -109169.6659 300.2517 -161414.4940 -108823.2190 300.6023 153.6392 174.4207 760952.8602 11.0861 11.1880 PRESSURE: 2248000 23.6333 151.01 243.532 151.012 -25.0909 -25.9827 243.532 -25.983 -101.067 GPRESSURE: 2248000 29.4821 106.12 174.825 152.489 85.7921 -29.2744 62.4616 -36.8121 -117.042 PRESSAVG: 2248000 19.4696 -4.753 -18.7033 -4.75301 5.47965 -29.6771 -18.7033 -29.677 -2.94915 GPRESSAVG: 2248000 19.3153 -4.38981 -15.9916 -3.90098 5.50022 -30.1662 -22.1808 -27.2369 -2.75915 TIMING: 2248000 CPU: 7095.87, 0.00323781/step Wall: 7095.87, 0.00323781/step, 2.47512 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2248000 3945.0474 20497.5086 14398.7782 236.6539 -203935.2799 2963.0356 0.0000 0.0000 52535.9309 -109358.3253 301.9247 -161894.2562 -108993.8587 300.1249 -34.1749 -0.5894 761062.9394 7.3334 7.3521 PRESSURE: 2248200 -364.866 -180.83 -386.981 -180.831 -204.628 -52.3893 -386.98 -52.3893 89.8345 GPRESSURE: 2248200 -260.862 21.2799 -448.617 -260.211 -304.033 -59.5066 -222.803 -33.6488 166.244 PRESSAVG: 2248200 2.49959 -17.4388 2.22248 -17.4387 -0.21705 -51.954 2.22251 -51.954 23.581 GPRESSAVG: 2248200 4.04941 -14.1343 0.656241 -19.1339 -1.73828 -51.9287 6.4259 -53.4788 23.0795 TIMING: 2248200 CPU: 7096.52, 0.00324409/step Wall: 7096.52, 0.00324409/step, 2.47975 hours remaining, 237.332031 MB of memory in use. ENERGY: 2248200 3967.3711 20405.2178 14415.1492 243.1417 -203241.9099 2601.5500 0.0000 0.0000 52030.4340 -109579.0460 299.0196 -161609.4800 -109205.1335 299.7264 -159.8864 -132.8838 762146.8250 8.6212 8.4636 LDB: ============= START OF LOAD BALANCING ============== 7108.93 LDB: ============== END OF LOAD BALANCING =============== 7108.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7108.93 LDB: ============= START OF LOAD BALANCING ============== 7109.25 LDB: Largest compute 7034 load 0.035909 is 18.3% of average load 0.195841 LDB: Average compute 0.004398 is 2.2% of average load 0.195841 LDB: TIME 7109.25 LOAD: AVG 0.195841 MAX 0.216591 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 7109.26 LOAD: AVG 0.195841 MAX 0.216591 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: TIME 7109.26 LOAD: AVG 0.195841 MAX 0.216591 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: ============== END OF LOAD BALANCING =============== 7109.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7109.26 PRESSURE: 2248400 200.49 -155.091 -24.2816 -155.092 -196.052 -31.9925 -24.2816 -31.9933 -104.128 GPRESSURE: 2248400 211.441 -240.845 -121.373 -103.357 -175.416 -132.87 13.6602 -146.195 -49.8979 PRESSAVG: 2248400 14.2754 -31.807 -23.8664 -31.8071 -18.4936 -39.4406 -23.8664 -39.4406 6.52466 GPRESSAVG: 2248400 14.0582 -33.5824 -22.9801 -32.3638 -18.7534 -39.7467 -25.0051 -40.6315 6.90923 TIMING: 2248400 CPU: 7097.18, 0.00328437/step Wall: 7097.18, 0.00328437/step, 2.51035 hours remaining, 240.722656 MB of memory in use. ENERGY: 2248400 4010.7246 20440.1624 14428.5627 248.5764 -203341.8567 2449.3790 0.0000 0.0000 52293.1678 -109471.2837 300.5296 -161764.4515 -109099.9348 299.2888 -33.2301 -4.6241 760113.0833 0.7688 0.7380 PRESSURE: 2248600 -155.061 -271.761 -168.889 -271.76 -396.896 -78.2704 -168.888 -78.2702 -142.679 GPRESSURE: 2248600 -192.005 -322.212 -100.526 -173.355 -330.951 -117.172 -193.341 25.2291 -103.121 PRESSAVG: 2248600 60.3723 -61.1666 -20.9668 -61.1667 -65.9554 -6.87073 -20.9668 -6.87071 4.81281 GPRESSAVG: 2248600 59.0842 -62.0285 -19.2611 -59.836 -66.2295 -7.55078 -22.3919 -3.95024 6.28078 TIMING: 2248600 CPU: 7097.83, 0.00325765/step Wall: 7097.83, 0.00325765/step, 2.48975 hours remaining, 240.925781 MB of memory in use. ENERGY: 2248600 4051.1357 20527.6189 14390.3997 241.4977 -203056.4124 2354.0875 0.0000 0.0000 52005.1384 -109486.5346 298.8742 -161491.6730 -109129.5729 299.3445 -231.5453 -208.6925 760263.2985 -0.2568 -0.2882 PRESSURE: 2248800 127.88 -54.217 -98.6168 -54.2169 -213.906 2.27247 -98.6165 2.27347 35.7401 GPRESSURE: 2248800 165.02 -56.5682 -185.625 12.087 -242.892 15.62 -152.731 -32.889 96.4159 PRESSAVG: 2248800 36.4718 -41.7268 -51.2575 -41.7268 -38.9715 -37.944 -51.2575 -37.944 7.89309 GPRESSAVG: 2248800 35.8886 -40.1038 -53.8862 -43.9006 -38.0861 -37.7771 -50.0222 -39.2253 7.00713 TIMING: 2248800 CPU: 7098.48, 0.00324727/step Wall: 7098.48, 0.00324727/step, 2.48164 hours remaining, 240.925781 MB of memory in use. ENERGY: 2248800 4043.1967 20563.7472 14434.6069 256.5167 -203499.9813 2761.8032 0.0000 0.0000 51811.4266 -109628.6841 297.7610 -161440.1107 -109271.9964 299.2007 -16.7621 6.1813 759457.8662 1.7978 1.6032 PRESSURE: 2249000 380.185 -19.0926 59.066 -19.0929 -127.378 -222.49 59.0656 -222.492 110.052 GPRESSURE: 2249000 382.258 5.79295 64.797 -82.5545 -70.6349 -173.927 117.278 -222.828 163.059 PRESSAVG: 2249000 38.1548 0.564616 -14.3141 0.564576 -37.1285 -22.1923 -14.3141 -22.1924 26.4543 GPRESSAVG: 2249000 39.2492 -1.35295 -15.796 2.92739 -36.5459 -21.2935 -15.1941 -22.8793 25.0468 TIMING: 2249000 CPU: 7099.13, 0.00324507/step Wall: 7099.13, 0.00324507/step, 2.47978 hours remaining, 240.925781 MB of memory in use. ENERGY: 2249000 4012.1859 20419.2331 14395.3282 243.1431 -203166.1224 2511.9123 0.0000 0.0000 52011.7197 -109572.6001 298.9121 -161584.3198 -109203.2532 298.8620 120.9528 158.2271 758764.6212 9.1602 9.2500 PRESSURE: 2249200 -154.171 19.3899 222.864 19.39 353.703 -189.738 222.864 -189.737 106.632 GPRESSURE: 2249200 -73.9316 39.8354 222.443 -35.6801 353.599 -106.719 277.705 -107.295 109.776 PRESSAVG: 2249200 44.3258 -30.8654 28.8459 -30.8654 -10.1654 -31.8055 28.846 -31.8055 -4.9101 GPRESSAVG: 2249200 45.3433 -30.8439 31.2523 -32.8825 -11.0752 -31.3129 29.5672 -30.8019 -5.85405 TIMING: 2249200 CPU: 7099.78, 0.00324849/step Wall: 7099.78, 0.00324849/step, 2.48221 hours remaining, 240.925781 MB of memory in use. ENERGY: 2249200 3944.9701 20688.5584 14443.3338 250.9392 -203553.4444 2750.0346 0.0000 0.0000 52063.8116 -109411.7967 299.2114 -161475.6083 -109063.4164 298.8228 102.0547 129.8142 759146.6905 9.7501 9.4713 PRESSURE: 2249400 4.22472 122.661 97.8813 122.661 -70.0008 -184.42 97.8815 -184.42 -138.519 GPRESSURE: 2249400 26.9278 205.305 199.644 78.0296 2.51376 -144.902 31.6947 -225.458 -139.269 PRESSAVG: 2249400 55.6991 -40.0443 69.6282 -40.0443 -79.8202 -55.6963 69.6282 -55.6963 -11.7437 GPRESSAVG: 2249400 55.4471 -39.2914 70.1649 -40.0421 -80.1232 -55.4404 67.6538 -56.0849 -11.4476 TIMING: 2249400 CPU: 7100.43, 0.00324291/step Wall: 7100.43, 0.00324291/step, 2.47777 hours remaining, 240.925781 MB of memory in use. ENERGY: 2249400 4068.9431 20484.4383 14498.1788 260.7221 -203460.9109 2646.5401 0.0000 0.0000 52179.2204 -109322.8682 299.8747 -161502.0885 -108966.9364 299.6905 -68.0983 -36.6091 761515.8078 -11.9549 -12.0412 PRESSURE: 2249600 -310.437 -65.6731 -393.951 -65.6731 531.086 56.0181 -393.95 56.0178 185.293 GPRESSURE: 2249600 -268.482 -36.7911 -425.194 -23.0218 499.179 51.3821 -351.073 4.73473 246.526 PRESSAVG: 2249600 33.5356 17.6836 -3.35801 17.6837 -49.624 -42.3196 -3.35803 -42.3196 2.00314 GPRESSAVG: 2249600 33.2041 18.7534 -4.72051 17.3849 -50.3313 -41.7362 0.378568 -43.2609 2.59597 TIMING: 2249600 CPU: 7101.08, 0.00326396/step Wall: 7101.08, 0.00326396/step, 2.49367 hours remaining, 240.925781 MB of memory in use. ENERGY: 2249600 4086.2233 20605.7551 14499.0668 242.7336 -203688.7950 2698.2460 0.0000 0.0000 52288.2659 -109268.5043 300.5014 -161556.7702 -108909.4545 299.5361 135.3144 159.0742 761134.7196 -4.6951 -4.8438 PRESSURE: 2249800 -115.165 -47.0228 24.7227 -47.0222 223.584 -33.4687 24.7229 -33.4692 -400.962 GPRESSURE: 2249800 -44.8212 -87.7663 74.0345 -109.136 211.593 31.0798 -27.2629 -49.6757 -379.51 PRESSAVG: 2249800 -5.67285 -35.3251 37.8995 -35.3251 -11.114 -19.5792 37.8995 -19.5792 1.04081 GPRESSAVG: 2249800 -5.71826 -37.7212 36.8129 -34.7195 -11.4046 -21.1059 35.7671 -18.033 0.937858 TIMING: 2249800 CPU: 7101.73, 0.00324062/step Wall: 7101.73, 0.00324062/step, 2.47565 hours remaining, 240.925781 MB of memory in use. ENERGY: 2249800 3976.0931 20575.8332 14403.9340 237.3565 -203098.6393 2518.4114 0.0000 0.0000 52002.3579 -109384.6532 298.8583 -161387.0110 -109023.0925 299.8940 -97.5142 -70.9128 761450.9066 -5.2487 -5.3950 PRESSURE: 2250000 -253.035 122.942 137.219 122.942 -127.28 62.9807 137.22 62.98 146.794 GPRESSURE: 2250000 -179.444 6.39146 71.9605 119.558 -114.26 77.4097 223.904 117.014 111.772 PRESSAVG: 2250000 41.0776 -53.627 45.7922 -53.627 -21.0163 -25.1857 45.7922 -25.1858 -14.1583 GPRESSAVG: 2250000 40.3871 -53.1121 46.1943 -53.299 -21.0161 -25.144 46.4246 -25.6417 -13.7276 TIMING: 2250000 CPU: 7102.39, 0.00327912/step Wall: 7102.39, 0.00327912/step, 2.50488 hours remaining, 240.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2250000 4051.4144 20614.0699 14448.6641 241.3901 -203366.0023 2283.3728 0.0000 0.0000 52130.8608 -109596.2302 299.5968 -161727.0911 -109228.8011 299.1697 -77.8404 -60.6441 761184.8877 1.9677 1.8811 PRESSURE: 2250200 27.8256 -126.074 160.811 -126.074 -155.645 96.1774 160.81 96.1779 -183.366 GPRESSURE: 2250200 45.1897 -49.866 57.2178 -58.4769 -121.73 111.751 110.663 180.569 -146.145 PRESSAVG: 2250200 62.9385 -56.4493 7.20778 -56.4492 8.33406 -27.6244 7.20775 -27.6245 1.37694 GPRESSAVG: 2250200 63.0193 -55.155 5.75299 -57.0153 9.39156 -28.7234 7.17404 -28.0484 0.528837 TIMING: 2250200 CPU: 7103.03, 0.00322293/step Wall: 7103.03, 0.00322293/step, 2.46178 hours remaining, 240.925781 MB of memory in use. ENERGY: 2250200 4008.6000 20591.7201 14384.8478 244.3270 -203205.2763 2452.3344 0.0000 0.0000 52055.2552 -109468.1917 299.1623 -161523.4469 -109116.2913 299.6769 -103.7286 -74.2283 760924.9522 24.2165 24.3132 PRESSURE: 2250400 -220.358 98.8587 -165.011 98.859 -97.1758 -88.4021 -165.011 -88.4027 -234.599 GPRESSURE: 2250400 -201.623 126.569 -170.79 -35.3414 -84.5864 -82.5682 -96.3981 -113.122 -172.586 PRESSAVG: 2250400 37.018 -53.3052 22.2793 -53.3051 -10.1578 -9.89662 22.2793 -9.89666 -21.957 GPRESSAVG: 2250400 37.5809 -54.253 23.0783 -54.9469 -10.5087 -8.44759 19.1389 -10.7713 -21.9505 TIMING: 2250400 CPU: 7103.68, 0.00324453/step Wall: 7103.68, 0.00324453/step, 2.4781 hours remaining, 240.925781 MB of memory in use. ENERGY: 2250400 4049.0248 20526.2792 14452.1819 238.5081 -202985.9658 2247.1474 0.0000 0.0000 51924.5793 -109548.2450 298.4113 -161472.8243 -109190.1289 299.0466 -184.0441 -152.9316 761031.3737 1.6344 1.7072 PRESSURE: 2250600 76.5511 82.6045 -208.776 82.6036 17.7427 14.5948 -208.775 14.5946 -204.699 GPRESSURE: 2250600 59.8388 -96.5786 -242.472 66.7495 125.746 -53.8769 -257.304 132.717 -223.24 PRESSAVG: 2250600 -38.7276 -80.1038 -79.5482 -80.1038 20.6066 -54.6479 -79.5482 -54.6479 -0.541302 GPRESSAVG: 2250600 -38.642 -80.8189 -78.5061 -78.788 21.0437 -55.6153 -78.9822 -51.8213 -1.68441 TIMING: 2250600 CPU: 7104.33, 0.00323343/step Wall: 7104.33, 0.00323343/step, 2.46944 hours remaining, 240.925781 MB of memory in use. ENERGY: 2250600 3947.5235 20556.4608 14430.0004 249.0136 -203093.8974 2401.5156 0.0000 0.0000 51927.7360 -109581.6476 298.4294 -161509.3836 -109213.4971 299.1251 -36.8018 -12.5519 761065.0800 -6.2208 -6.4276 PRESSURE: 2250800 -229.148 -240.767 -69.6868 -240.766 -209.779 -194.264 -69.6861 -194.264 -152.271 GPRESSURE: 2250800 -131.282 -46.6427 -153.455 -195.687 -217.393 -160.394 49.1585 -191.304 -163.472 PRESSAVG: 2250800 8.24449 -15.854 -2.55877 -15.854 -31.5884 -6.61254 -2.55884 -6.61242 1.59482 GPRESSAVG: 2250800 6.28222 -14.9326 -3.45387 -15.7652 -30.389 -7.41258 -1.10535 -7.44103 2.13082 TIMING: 2250800 CPU: 7104.98, 0.00325066/step Wall: 7104.98, 0.00325066/step, 2.48242 hours remaining, 240.925781 MB of memory in use. ENERGY: 2250800 4050.6357 20517.3120 14388.6204 244.0491 -203062.1744 2333.1344 0.0000 0.0000 51943.0250 -109585.3978 298.5173 -161528.4228 -109219.1811 299.4290 -197.0659 -170.7155 761661.1896 -7.2497 -7.3253 PRESSURE: 2251000 -191.451 -52.8155 -237.864 -52.8149 52.1576 11.8362 -237.864 11.8361 149.088 GPRESSURE: 2251000 -180.865 -68.8819 -119.776 -33.5513 101.464 -1.76074 -212.265 3.02145 189.408 PRESSAVG: 2251000 16.8945 -17.1408 -38.7759 -17.1408 -17.9893 -36.1808 -38.776 -36.1807 -34.8767 GPRESSAVG: 2251000 18.4649 -17.6829 -37.6234 -15.3105 -19.5241 -35.8635 -37.7487 -37.9066 -35.0979 TIMING: 2251000 CPU: 7105.61, 0.00318229/step Wall: 7105.61, 0.00318229/step, 2.43003 hours remaining, 240.925781 MB of memory in use. ENERGY: 2251000 3964.7814 20579.9601 14314.5621 240.3549 -203576.1095 2748.4044 0.0000 0.0000 52228.9142 -109499.1324 300.1603 -161728.0466 -109137.7445 299.1237 3.2651 36.6691 760733.1498 -11.9905 -12.0524 PRESSURE: 2251200 -56.3832 11.9951 140.839 11.9943 85.7816 -103.605 140.84 -103.605 232.394 GPRESSURE: 2251200 29.1465 -96.7534 142.002 -10.5591 113.38 8.62477 -137.541 -105.383 215.202 PRESSAVG: 2251200 5.61958 -23.6989 8.87744 -23.6989 -42.2634 -16.8206 8.87743 -16.8206 -6.22716 GPRESSAVG: 2251200 4.61542 -24.1389 7.81371 -25.6495 -41.8006 -16.6608 6.57649 -16.4253 -5.86905 TIMING: 2251200 CPU: 7106.26, 0.00322617/step Wall: 7106.26, 0.00322617/step, 2.46336 hours remaining, 240.925781 MB of memory in use. ENERGY: 2251200 3974.4501 20542.5465 14377.2050 244.0402 -203408.9728 2598.2174 0.0000 0.0000 52154.5607 -109517.9529 299.7330 -161672.5136 -109168.1834 299.0316 87.2641 119.2429 760682.1414 -14.2903 -14.3514 PRESSURE: 2251400 143.572 63.3704 -57.832 63.3701 -301.874 -168.633 -57.8314 -168.634 -470.711 GPRESSURE: 2251400 133.789 -6.38437 -107.096 21.9642 -206.032 -164.576 3.4023 -73.5165 -489.958 PRESSAVG: 2251400 11.2577 30.9649 21.2092 30.9649 -4.37499 -2.77515 21.2092 -2.77523 29.0475 GPRESSAVG: 2251400 11.5224 31.8807 21.0947 31.1504 -3.66513 -1.96353 23.2962 -1.42566 27.575 TIMING: 2251400 CPU: 7106.9, 0.00323226/step Wall: 7106.9, 0.00323226/step, 2.46783 hours remaining, 240.925781 MB of memory in use. ENERGY: 2251400 4038.1207 20503.2739 14404.3467 247.6159 -202826.0570 2256.3337 0.0000 0.0000 52087.6580 -109288.7080 299.3485 -161376.3660 -108927.9549 299.5954 -209.6712 -187.4003 761755.9655 11.9767 11.8108 PRESSURE: 2251600 394.171 94.8196 55.6323 94.8197 235.543 49.6471 55.6331 49.6471 466.403 GPRESSURE: 2251600 514.883 -22.5552 153.909 22.7617 220.59 99.7944 246.123 -87.1895 433.981 PRESSAVG: 2251600 -41.9912 25.164 -34.1842 25.164 39.095 -28.3376 -34.1842 -28.3376 -17.9531 GPRESSAVG: 2251600 -42.1307 24.0056 -34.2111 26.4156 38.1885 -30.014 -31.8219 -28.2929 -16.943 TIMING: 2251600 CPU: 7107.55, 0.00325555/step Wall: 7107.55, 0.00325555/step, 2.48543 hours remaining, 240.925781 MB of memory in use. ENERGY: 2251600 3992.1338 20724.8705 14456.4293 240.4028 -203557.7174 2800.0798 0.0000 0.0000 52056.9093 -109286.8918 299.1718 -161343.8012 -108929.3929 299.7246 365.3724 389.8182 760369.2022 -6.9498 -6.9617 PRESSURE: 2251800 -55.9956 -6.08146 149.148 -6.08215 -283.797 32.5613 149.148 32.5619 -184.608 GPRESSURE: 2251800 8.02381 185.136 105.341 67.8166 -212.459 -3.58667 103.235 27.0082 -222.216 PRESSAVG: 2251800 45.4233 38.7917 -18.9788 38.7918 -17.6814 -40.2923 -18.9788 -40.2924 -8.02436 GPRESSAVG: 2251800 46.501 40.6219 -19.3834 36.9993 -18.0981 -40.2643 -20.384 -40.1661 -8.26654 TIMING: 2251800 CPU: 7108.21, 0.00327488/step Wall: 7108.21, 0.00327488/step, 2.5 hours remaining, 240.925781 MB of memory in use. ENERGY: 2251800 3962.4095 20594.8808 14482.3306 235.7821 -202828.1112 2136.0637 0.0000 0.0000 52062.3772 -109354.2674 299.2032 -161416.6446 -108992.0206 299.7908 -174.8003 -142.2172 760625.3784 6.5725 6.7121 PRESSURE: 2252000 -154.649 52.4821 -132.253 52.4821 -176.635 92.4367 -132.253 92.4368 79.3191 GPRESSURE: 2252000 -113.308 -20.0255 -79.7504 70.3236 -173.664 82.3575 -84.7108 72.555 140.175 PRESSAVG: 2252000 43.9587 -18.7333 25.0201 -18.7333 2.15879 -22.7798 25.0202 -22.7798 6.66489 GPRESSAVG: 2252000 43.1165 -19.0105 26.6971 -18.3556 2.41714 -21.8292 22.765 -23.9265 7.2654 TIMING: 2252000 CPU: 7108.86, 0.0032558/step Wall: 7108.86, 0.0032558/step, 2.48526 hours remaining, 240.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2252000 4029.7215 20622.0744 14368.6429 245.4624 -202885.6672 2248.9133 0.0000 0.0000 51876.9159 -109493.9368 298.1373 -161370.8527 -109125.9367 299.4362 -83.9881 -48.9323 761854.1897 17.5941 17.5997 PRESSURE: 2252200 141.188 -55.1918 194.332 -55.1916 -79.8889 -241.041 194.332 -241.041 360.491 GPRESSURE: 2252200 122.666 -45.1642 127.837 -39.8788 19.8283 -255.011 173.545 -191.662 337.092 PRESSAVG: 2252200 -40.6253 -4.64295 -5.7037 -4.64294 6.11792 -0.0811529 -5.70366 -0.0811608 -9.27129 GPRESSAVG: 2252200 -40.7138 -4.63515 -7.3373 -4.6794 6.66249 -2.72952 -4.12133 1.16193 -9.76339 TIMING: 2252200 CPU: 7109.51, 0.00324319/step Wall: 7109.51, 0.00324319/step, 2.47545 hours remaining, 240.925781 MB of memory in use. ENERGY: 2252200 3983.3769 20557.3169 14437.1571 248.5125 -203687.9500 2638.6344 0.0000 0.0000 52124.4295 -109698.5228 299.5598 -161822.9523 -109331.7320 298.8900 140.5964 159.8620 759600.0306 -14.5929 -14.6049 LDB: ============= START OF LOAD BALANCING ============== 7121.92 LDB: ============== END OF LOAD BALANCING =============== 7121.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7121.92 LDB: ============= START OF LOAD BALANCING ============== 7122.24 LDB: Largest compute 7034 load 0.037684 is 19.2% of average load 0.195843 LDB: Average compute 0.004398 is 2.2% of average load 0.195843 LDB: TIME 7122.25 LOAD: AVG 0.195843 MAX 0.218169 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.188 MB LDB: TIME 7122.25 LOAD: AVG 0.195843 MAX 0.218169 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: TIME 7122.25 LOAD: AVG 0.195843 MAX 0.218169 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: ============== END OF LOAD BALANCING =============== 7122.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7122.25 PRESSURE: 2252400 103.337 -85.2077 109.583 -85.2075 -106.03 -103.347 109.583 -103.349 -137.419 GPRESSURE: 2252400 184.754 4.29233 142.115 -69.8969 -129.723 -122.254 169.335 -65.7475 -120.714 PRESSAVG: 2252400 16.4763 -18.7944 4.25741 -18.7944 -18.8679 17.167 4.25741 17.1671 3.96683 GPRESSAVG: 2252400 16.4863 -18.1142 5.16665 -19.359 -19.8933 19.6115 4.25314 17.3414 4.30574 TIMING: 2252400 CPU: 7110.17, 0.0033105/step Wall: 7110.17, 0.0033105/step, 2.52665 hours remaining, 238.355469 MB of memory in use. ENERGY: 2252400 3995.1944 20567.8697 14345.1229 259.1742 -203488.5851 2542.7413 0.0000 0.0000 52093.8783 -109684.6044 299.3842 -161778.4827 -109318.2031 298.7170 -46.7041 -21.8945 758907.5692 0.5251 0.2996 PRESSURE: 2252600 -38.3197 -144.357 173.74 -144.358 258.555 187.595 173.74 187.595 82.8564 GPRESSURE: 2252600 -71.6494 -116.564 77.4071 -134.493 275.584 145.965 71.8394 220.334 187.611 PRESSAVG: 2252600 -14.3254 -33.0752 -10.4021 -33.0752 -41.9001 26.8573 -10.4021 26.8573 -5.53819 GPRESSAVG: 2252600 -14.2403 -35.7805 -10.4413 -32.0078 -42.006 26.3538 -11.4862 25.5892 -4.72628 TIMING: 2252600 CPU: 7110.82, 0.00323348/step Wall: 7110.82, 0.00323348/step, 2.46768 hours remaining, 238.355469 MB of memory in use. ENERGY: 2252600 3974.3843 20443.5909 14376.1461 266.7609 -203628.6236 2670.6427 0.0000 0.0000 51924.4996 -109972.5992 298.4108 -161897.0988 -109621.9137 298.7973 101.0304 130.5154 760244.0226 -20.5879 -20.3242 PRESSURE: 2252800 167.806 -78.0064 36.6805 -78.0061 -137.469 -30.1776 36.6804 -30.1777 309.068 GPRESSURE: 2252800 265.1 -139.407 107.457 -31.7094 -66.4835 -52.4605 -49.3885 24.2028 218.593 PRESSAVG: 2252800 5.03946 -36.3953 9.40385 -36.3953 -36.7289 55.9042 9.40385 55.9041 -21.6135 GPRESSAVG: 2252800 6.63243 -35.3052 10.0445 -37.3912 -36.9333 56.8233 11.7048 54.6451 -23.0265 TIMING: 2252800 CPU: 7111.46, 0.00321988/step Wall: 7111.46, 0.00321987/step, 2.45712 hours remaining, 238.355469 MB of memory in use. ENERGY: 2252800 3901.8641 20530.9799 14443.7979 251.9545 -203553.4214 2702.5931 0.0000 0.0000 51894.7726 -109827.4593 298.2400 -161722.2319 -109460.5078 298.4972 113.1349 139.0697 759741.9762 -17.7676 -17.7758 PRESSURE: 2253000 155.518 9.21512 -75.8138 9.21519 559.121 4.5036 -75.8143 4.50398 66.3313 GPRESSURE: 2253000 231.046 -31.9625 -55.0272 4.13041 531.584 34.5772 -128.864 -86.8735 98.5085 PRESSAVG: 2253000 23.7304 -51.8202 -23.3263 -51.8201 8.02026 27.4344 -23.3263 27.4343 3.53224 GPRESSAVG: 2253000 22.6012 -50.5078 -24.6985 -51.4055 9.65068 28.1649 -24.3268 28.2604 3.51193 TIMING: 2253000 CPU: 7112.1, 0.00320174/step Wall: 7112.1, 0.00320174/step, 2.44311 hours remaining, 238.355469 MB of memory in use. ENERGY: 2253000 3914.6406 20487.9205 14402.0846 266.4206 -203954.4114 3011.1801 0.0000 0.0000 51998.1900 -109873.9748 298.8343 -161872.1649 -109518.0800 298.4778 260.3233 287.0462 760430.6589 11.7610 11.9213 PRESSURE: 2253200 173.877 -24.8784 -154.312 -24.8786 14.1418 153.128 -154.311 153.128 135.093 GPRESSURE: 2253200 184.764 -117.995 -177.361 -2.40624 108.281 219.046 -34.7758 256.66 129.568 PRESSAVG: 2253200 5.78347 6.50609 -18.0487 6.50606 17.8665 31.3984 -18.0487 31.3984 2.94815 GPRESSAVG: 2253200 3.68739 5.58725 -17.3311 9.05447 17.9042 31.0746 -16.477 31.841 4.4086 TIMING: 2253200 CPU: 7112.75, 0.00321786/step Wall: 7112.75, 0.00321786/step, 2.45522 hours remaining, 238.355469 MB of memory in use. ENERGY: 2253200 3914.0469 20304.0074 14394.5063 244.3392 -203710.5613 2814.2469 0.0000 0.0000 52198.0792 -109841.3352 299.9831 -162039.4144 -109467.8127 298.8382 107.7038 140.8711 760929.6591 8.8660 8.6667 PRESSURE: 2253400 508.915 -67.5011 116.168 -67.5011 297.241 -16.4413 116.168 -16.4399 360.286 GPRESSURE: 2253400 546.306 -42.165 120.597 -32.6736 286.349 -76.5345 97.4121 -12.884 428.727 PRESSAVG: 2253400 5.70995 -5.96935 14.7891 -5.96931 -59.8641 -5.81627 14.7891 -5.81627 17.6316 GPRESSAVG: 2253400 6.52631 -5.55917 15.4219 -8.40376 -59.5292 -6.72614 12.9989 -5.19797 16.4643 TIMING: 2253400 CPU: 7113.39, 0.00322691/step Wall: 7113.39, 0.00322691/step, 2.46196 hours remaining, 238.355469 MB of memory in use. ENERGY: 2253400 4065.6778 20550.0983 14373.6282 235.9701 -204061.0705 2903.6480 0.0000 0.0000 52011.0376 -109921.0105 298.9081 -161932.0481 -109560.6775 298.5085 388.8140 420.4608 760460.6204 -12.1742 -12.1795 PRESSURE: 2253600 28.3565 105.494 5.4659 105.494 -43.9186 72.1677 5.46615 72.1683 -144.44 GPRESSURE: 2253600 99.0914 137.181 -3.77667 147.435 -36.8528 84.3887 -13.1768 156.641 -132.137 PRESSAVG: 2253600 68.1195 23.4783 10.8818 23.4782 -11.888 -23.7281 10.8818 -23.7281 1.56064 GPRESSAVG: 2253600 68.6336 23.5071 9.54998 24.9958 -12.06 -24.5479 11.1486 -25.1876 1.68948 TIMING: 2253600 CPU: 7114.03, 0.00319719/step Wall: 7114.03, 0.00319719/step, 2.4391 hours remaining, 238.355469 MB of memory in use. ENERGY: 2253600 3889.0276 20542.8021 14391.5537 244.0763 -203565.3152 2446.9647 0.0000 0.0000 52274.8236 -109776.0672 300.4241 -162050.8908 -109395.1679 299.0813 -53.3342 -23.2994 759624.1540 19.2640 19.4210 PRESSURE: 2253800 38.2854 -231.424 -47.9831 -231.424 -106.567 -363.242 -47.9831 -363.242 -467.767 GPRESSURE: 2253800 145.821 -155.505 13.4942 -135.371 -108.066 -396.418 -161.173 -271.984 -466.062 PRESSAVG: 2253800 8.09368 33.3082 11.8707 33.3081 9.16115 -58.0296 11.8707 -58.0296 -13.8594 GPRESSAVG: 2253800 9.73586 35.1953 11.8369 32.5549 8.89476 -56.7377 13.0293 -57.243 -15.1406 TIMING: 2253800 CPU: 7114.67, 0.00321712/step Wall: 7114.67, 0.00321712/step, 2.45413 hours remaining, 238.355469 MB of memory in use. ENERGY: 2253800 4003.9198 20351.8159 14413.1718 225.3662 -203317.1603 2357.2555 0.0000 0.0000 52108.5929 -109857.0382 299.4688 -161965.6312 -109486.1279 298.8926 -178.6827 -142.7688 759025.6170 1.1318 1.1633 PRESSURE: 2254000 -167.434 118.763 -143.341 118.763 -390.134 189.561 -143.341 189.561 -246.34 GPRESSURE: 2254000 -210.776 48.2302 -138.217 161.733 -308.39 190.008 -62.3442 256.31 -217.432 PRESSAVG: 2254000 75.6341 18.8931 43.1761 18.8931 2.87853 -9.70014 43.1762 -9.70009 3.11555 GPRESSAVG: 2254000 74.0877 15.7932 43.7278 16.6396 2.52277 -11.5928 41.4324 -8.0454 4.43807 TIMING: 2254000 CPU: 7115.32, 0.00325128/step Wall: 7115.32, 0.00325128/step, 2.48001 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2254000 3940.5237 20680.8343 14356.4715 263.9742 -203216.6175 2067.2737 0.0000 0.0000 52069.4836 -109838.0564 299.2440 -161907.5400 -109481.9296 298.9193 -267.9692 -245.5324 760334.8275 27.2094 27.0162 PRESSURE: 2254200 -8.23311 -9.44569 118.222 -9.44609 -119.461 65.4662 118.222 65.466 -81.6523 GPRESSURE: 2254200 71.8459 8.40848 0.313997 91.7334 -193.696 96.9168 127.643 16.0548 -34.1373 PRESSAVG: 2254200 6.4678 21.1643 35.0511 21.1643 -0.060747 1.68589 35.051 1.68589 6.63631 GPRESSAVG: 2254200 7.10885 21.6844 34.4396 24.2294 -0.889708 4.69507 35.523 -0.587463 6.6803 TIMING: 2254200 CPU: 7115.97, 0.00322344/step Wall: 7115.97, 0.00322344/step, 2.45859 hours remaining, 238.355469 MB of memory in use. ENERGY: 2254200 3901.1782 20502.7159 14434.6336 243.3238 -203472.0086 2437.1292 0.0000 0.0000 51976.9685 -109976.0594 298.7124 -161953.0279 -109609.1812 298.7978 -69.7822 -51.9958 759569.4702 4.3478 4.2998 PRESSURE: 2254400 23.8353 13.8223 308.04 13.8231 360.036 82.9421 308.04 82.9401 273.71 GPRESSURE: 2254400 102.62 -106.531 336.469 13.4102 377.75 58.7772 267.893 -33.9753 265.037 PRESSAVG: 2254400 -40.2713 8.40924 1.23393 8.40925 9.68787 -51.3238 1.23397 -51.3238 6.21184 GPRESSAVG: 2254400 -39.6835 6.94728 2.46378 7.48136 10.0463 -54.1723 0.999115 -50.263 5.43907 TIMING: 2254400 CPU: 7116.61, 0.00322023/step Wall: 7116.61, 0.00322023/step, 2.45597 hours remaining, 238.355469 MB of memory in use. ENERGY: 2254400 3990.5271 20540.2415 14389.8010 246.1878 -203416.8785 2656.3352 0.0000 0.0000 51816.3442 -109777.4418 297.7892 -161593.7860 -109422.5207 298.7317 219.1937 248.4692 758616.6840 -8.1239 -8.0660 PRESSURE: 2254600 -145.556 -234.132 45.2856 -234.132 18.466 161.414 45.2854 161.414 61.7911 GPRESSURE: 2254600 -99.5427 -194.284 92.555 -343.405 48.5337 202.966 -76.411 255.661 74.2335 PRESSAVG: 2254600 57.3491 12.9252 -8.55046 12.9252 -53.1125 -36.6484 -8.55044 -36.6484 16.4841 GPRESSAVG: 2254600 57.3386 13.5805 -9.83171 12.5668 -52.673 -35.7131 -6.75244 -37.015 16.5404 TIMING: 2254600 CPU: 7117.26, 0.00322383/step Wall: 7117.26, 0.00322383/step, 2.45853 hours remaining, 238.355469 MB of memory in use. ENERGY: 2254600 3971.8960 20524.4181 14325.3499 224.7090 -203313.6827 2361.9649 0.0000 0.0000 52174.9177 -109730.4272 299.8500 -161905.3449 -109372.4290 298.7512 -21.7662 7.7415 759562.7040 6.9069 7.0687 PRESSURE: 2254800 -230.845 -84.4889 2.40705 -84.4896 45.2258 -122.885 2.40733 -122.884 -321.695 GPRESSURE: 2254800 -154.362 -18.0121 -21.6833 -26.6986 34.7858 -127.017 12.2928 -22.7048 -315.61 PRESSAVG: 2254800 19.208 -14.5528 -3.99178 -14.5529 -22.5814 1.30856 -3.99179 1.30855 16.8414 GPRESSAVG: 2254800 19.192 -14.6743 -3.7216 -14.2426 -22.7693 0.998303 -4.62279 3.53435 16.8279 TIMING: 2254800 CPU: 7117.91, 0.00323634/step Wall: 7117.91, 0.00323634/step, 2.46789 hours remaining, 238.355469 MB of memory in use. ENERGY: 2254800 3969.3020 20452.7129 14488.5139 237.8503 -203773.3919 2550.2234 0.0000 0.0000 52095.8207 -109978.9687 299.3954 -162074.7895 -109617.1288 298.8040 -169.1047 -145.0619 759628.4165 4.4893 4.4169 PRESSURE: 2255000 -152.412 72.9577 -269.429 72.9576 -415.506 307.199 -269.43 307.2 -242.579 GPRESSURE: 2255000 -89.2903 96.075 -275.259 109.013 -306.307 301.98 -75.1355 238.481 -318.979 PRESSAVG: 2255000 -2.49311 -30.8188 28.8018 -30.8188 11.635 22.7229 28.8018 22.7229 -7.21034 GPRESSAVG: 2255000 -2.58826 -28.5648 30.458 -30.4022 12.5658 24.2412 29.9652 20.8193 -7.65458 TIMING: 2255000 CPU: 7118.56, 0.00325324/step Wall: 7118.56, 0.00325324/step, 2.4806 hours remaining, 238.355469 MB of memory in use. ENERGY: 2255000 4046.2723 20542.3590 14370.7730 230.2714 -203339.0845 2245.4501 0.0000 0.0000 52116.6077 -109787.3510 299.5149 -161903.9586 -109426.5529 299.2179 -270.1657 -238.1923 760158.9260 0.6439 0.7743 PRESSURE: 2255200 13.9563 -2.59997 118.514 -2.60054 89.8055 -70.3831 118.515 -70.3842 134.654 GPRESSURE: 2255200 51.1525 100.645 207.89 -18.6794 111.946 -85.0202 181.641 -80.2555 156.815 PRESSAVG: 2255200 35.277 -12.8474 25.9038 -12.8474 -7.69829 -16.1597 25.9039 -16.1597 -4.64154 GPRESSAVG: 2255200 34.6127 -16.3032 23.6659 -11.8367 -7.43727 -16.1743 25.0066 -14.8754 -4.39549 TIMING: 2255200 CPU: 7119.21, 0.00326322/step Wall: 7119.21, 0.00326322/step, 2.48803 hours remaining, 238.355469 MB of memory in use. ENERGY: 2255200 3947.1785 20537.4217 14428.2551 255.1260 -203626.5727 2643.6731 0.0000 0.0000 52037.5454 -109777.3730 299.0605 -161814.9184 -109411.9370 299.2022 79.4720 106.6377 759878.9536 7.6457 7.5933 PRESSURE: 2255400 112.696 -47.1214 325.531 -47.1204 49.2902 -47.4998 325.531 -47.4994 290.676 GPRESSURE: 2255400 107.894 -40.0048 295.511 -134.252 90.4384 -26.6035 218.865 -18.8725 340.106 PRESSAVG: 2255400 67.5739 -16.3779 71.6496 -16.3778 -0.316012 57.9059 71.6496 57.9058 8.44875 GPRESSAVG: 2255400 67.7791 -14.9712 73.2356 -16.3332 -1.14358 58.8988 71.7222 56.5079 8.97898 TIMING: 2255400 CPU: 7119.86, 0.00324067/step Wall: 7119.86, 0.00324067/step, 2.47065 hours remaining, 238.355469 MB of memory in use. ENERGY: 2255400 3932.1733 20459.3423 14458.4394 234.9918 -203041.6333 2255.2964 0.0000 0.0000 51856.6616 -109844.7285 298.0209 -161701.3900 -109478.4799 298.9689 150.8875 179.4796 760071.1656 25.2356 25.2048 PRESSURE: 2255600 -285.452 21.553 -118.715 21.554 406.336 202.541 -118.715 202.54 152.143 GPRESSURE: 2255600 -205.344 -45.4926 -77.1806 67.6151 347.165 237.096 -67.354 192.795 200.462 PRESSAVG: 2255600 39.2708 -28.9341 -2.50354 -28.9342 -36.4546 -11.5445 -2.50352 -11.5445 1.24187 GPRESSAVG: 2255600 41.018 -28.4925 -2.52823 -30.2231 -36.7109 -13.9537 -3.67406 -9.14232 0.143751 TIMING: 2255600 CPU: 7120.5, 0.0032138/step Wall: 7120.5, 0.0032138/step, 2.44998 hours remaining, 238.355469 MB of memory in use. ENERGY: 2255600 3990.4534 20532.8280 14456.8356 236.5042 -203629.0094 2584.3636 0.0000 0.0000 51919.2285 -109908.7961 298.3805 -161828.0246 -109536.4059 298.6726 91.0091 114.0943 762203.8655 1.3527 1.4836 PRESSURE: 2255800 -262.708 -16.7556 79.5798 -16.7561 -324.048 -25.5695 79.5796 -25.5691 -289.888 GPRESSURE: 2255800 -203.335 61.3612 70.3924 0.266093 -338.748 -13.6982 -23.3675 -13.1175 -259.34 PRESSAVG: 2255800 29.7658 -22.4827 29.7903 -22.4827 -12.6707 58.0358 29.7902 58.0358 -9.91952 GPRESSAVG: 2255800 28.0618 -22.1103 30.18 -22.3941 -11.5325 58.2178 26.9045 56.559 -9.31214 TIMING: 2255800 CPU: 7121.14, 0.00321941/step Wall: 7121.14, 0.00321941/step, 2.45408 hours remaining, 238.355469 MB of memory in use. ENERGY: 2255800 3983.9821 20516.9939 14474.2718 244.6418 -203566.3124 2381.4203 0.0000 0.0000 52016.7174 -109948.2851 298.9408 -161965.0024 -109586.2041 298.3260 -292.2145 -267.1412 761274.0327 2.3919 2.4057 PRESSURE: 2256000 37.2494 -296.961 -146.167 -296.961 -154.37 -243.423 -146.168 -243.423 -355.151 GPRESSURE: 2256000 18.401 -176.466 -141.214 -257.986 -71.4901 -176.706 -251.132 -202.479 -353.321 PRESSAVG: 2256000 69.7885 11.9281 -16.7923 11.928 -64.901 -13.9844 -16.7922 -13.9844 -20.2871 GPRESSAVG: 2256000 69.6409 11.7597 -16.3989 12.966 -64.0875 -12.6321 -15.1609 -14.169 -20.0172 TIMING: 2256000 CPU: 7121.79, 0.00323555/step Wall: 7121.79, 0.00323555/step, 2.46621 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2256000 3985.8682 20541.3596 14457.2655 248.0725 -203169.5292 2096.5856 0.0000 0.0000 51953.3744 -109887.0035 298.5768 -161840.3779 -109537.4529 298.6811 -157.4238 -135.4701 759959.0038 -5.1332 -4.8213 PRESSURE: 2256200 67.2493 -61.8474 -224.432 -61.8473 337.723 64.2778 -224.433 64.2777 134.641 GPRESSURE: 2256200 85.6651 -131.418 -194.792 -104.818 437.377 139.338 -261.88 31.1165 117.418 PRESSAVG: 2256200 10.2947 -40.1303 3.50616 -40.1303 21.138 -8.75597 3.50613 -8.75592 -4.5881 GPRESSAVG: 2256200 11.2178 -41.0582 3.04298 -41.2832 20.6677 -8.23923 4.91873 -11.3385 -4.7367 TIMING: 2256200 CPU: 7122.44, 0.00324809/step Wall: 7122.44, 0.00324809/step, 2.47559 hours remaining, 238.355469 MB of memory in use. ENERGY: 2256200 3957.3967 20588.1425 14474.4967 237.8488 -204065.0370 2768.5878 0.0000 0.0000 52120.6796 -109917.8849 299.5383 -162038.5645 -109555.6627 299.0261 179.8711 213.4866 759319.7870 8.9482 9.0496 LDB: ============= START OF LOAD BALANCING ============== 7134.85 LDB: ============== END OF LOAD BALANCING =============== 7134.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7134.85 LDB: ============= START OF LOAD BALANCING ============== 7135.18 LDB: Largest compute 7034 load 0.038205 is 19.5% of average load 0.195842 LDB: Average compute 0.004401 is 2.2% of average load 0.195842 LDB: TIME 7135.18 LOAD: AVG 0.195842 MAX 0.21604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7135.18 LOAD: AVG 0.195842 MAX 0.21604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7135.18 LOAD: AVG 0.195842 MAX 0.21604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7135.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7135.19 PRESSURE: 2256400 -168.058 -103.8 99.0298 -103.801 -112.298 -140.036 99.0304 -140.035 -217.942 GPRESSURE: 2256400 -70.4868 -106.594 50.5926 -161.992 -95.7871 -199.86 89.5288 -199.489 -236.094 PRESSAVG: 2256400 28.176 -33.0309 -20.5246 -33.0309 -12.3089 -21.7037 -20.5246 -21.7036 -10.3583 GPRESSAVG: 2256400 28.2028 -32.9943 -21.5132 -31.8222 -12.514 -23.4127 -19.2453 -18.8925 -10.1855 TIMING: 2256400 CPU: 7123.11, 0.00334413/step Wall: 7123.11, 0.00334413/step, 2.5486 hours remaining, 239.125000 MB of memory in use. ENERGY: 2256400 4020.2849 20536.8147 14456.7600 237.5238 -203573.3815 2255.9164 0.0000 0.0000 51992.2958 -110073.7860 298.8004 -162066.0817 -109709.5636 298.8110 -166.0993 -134.1225 759145.7605 1.8363 1.8344 PRESSURE: 2256600 -10.3419 81.1498 186.362 81.1501 18.8777 4.72499 186.363 4.72466 82.1698 GPRESSURE: 2256600 -26.4733 -70.9444 179.281 159.204 94.1988 9.75071 46.3937 3.09487 100.076 PRESSAVG: 2256600 22.9206 60.6365 2.46617 60.6365 -37.7215 -43.4296 2.46614 -43.4296 8.26079 GPRESSAVG: 2256600 23.0453 61.4039 1.26731 61.3627 -37.3469 -43.3288 0.962934 -44.2943 8.08818 TIMING: 2256600 CPU: 7123.75, 0.00321674/step Wall: 7123.75, 0.00321674/step, 2.45134 hours remaining, 239.125000 MB of memory in use. ENERGY: 2256600 3993.0755 20482.7330 14425.1506 246.2005 -203861.8931 2529.2366 0.0000 0.0000 52001.5873 -110183.9095 298.8538 -162185.4968 -109816.3816 298.3591 30.2352 55.9339 758207.9648 -2.1801 -2.0711 PRESSURE: 2256800 188.047 -46.2533 -77.8703 -46.2527 99.4661 24.5054 -77.8704 24.5055 354.919 GPRESSURE: 2256800 250.105 26.2713 -29.711 -86.8571 55.4216 -27.2358 -22.5975 -115.528 421.703 PRESSAVG: 2256800 58.073 46.9269 -23.7032 46.9269 -37.8469 23.0137 -23.7031 23.0136 -7.10555 GPRESSAVG: 2256800 58.2378 46.5096 -22.3654 45.5292 -37.7919 23.5583 -22.3748 22.0774 -7.10948 TIMING: 2256800 CPU: 7124.4, 0.0032392/step Wall: 7124.4, 0.0032392/step, 2.46827 hours remaining, 239.125000 MB of memory in use. ENERGY: 2256800 3960.6719 20572.6159 14355.9099 234.5618 -203792.7851 2691.8042 0.0000 0.0000 51945.0718 -110032.1495 298.5290 -161977.2214 -109670.4539 298.4351 214.1441 242.4100 760564.1782 4.3735 4.4455 PRESSURE: 2257000 -44.606 35.0547 -77.0715 35.0553 161.026 31.6133 -77.0715 31.6136 -57.0649 GPRESSURE: 2257000 -13.4982 101.537 -81.5022 40.943 224.847 67.7092 -79.0323 140.381 -63.8213 PRESSAVG: 2257000 -37.809 23.733 17.2941 23.733 38.1636 22.4435 17.2941 22.4436 34.1703 GPRESSAVG: 2257000 -37.7844 23.3057 17.2771 24.0124 37.8936 22.7402 15.1439 24.6924 34.0772 TIMING: 2257000 CPU: 7125.05, 0.00326893/step Wall: 7125.05, 0.00326893/step, 2.49075 hours remaining, 239.125000 MB of memory in use. ENERGY: 2257000 3926.8947 20443.5523 14459.0123 247.1975 -203462.1733 2510.0538 0.0000 0.0000 52050.3145 -109825.1483 299.1339 -161875.4628 -109450.4223 298.7456 19.7849 49.1759 761639.5173 11.5083 11.3955 PRESSURE: 2257200 -147.907 -12.8896 139.188 -12.8888 -172.468 270.194 139.187 270.194 201.318 GPRESSURE: 2257200 -76.8441 57.1183 44.8707 10.2683 -95.2492 236.595 101.567 365.407 131.396 PRESSAVG: 2257200 -9.93185 30.0319 9.68152 30.0319 29.8099 26.6795 9.68151 26.6795 15.5441 GPRESSAVG: 2257200 -9.63744 31.2737 8.92694 30.2567 30.0626 26.851 10.7612 27.7196 15.0188 TIMING: 2257200 CPU: 7125.71, 0.0032572/step Wall: 7125.71, 0.0032572/step, 2.48162 hours remaining, 239.125000 MB of memory in use. ENERGY: 2257200 3919.8041 20553.0716 14370.1782 265.0157 -203533.2491 2553.9187 0.0000 0.0000 52023.8509 -109847.4099 298.9818 -161871.2608 -109479.0332 298.8623 -39.6859 -13.5659 760744.2752 11.8074 11.8147 PRESSURE: 2257400 387.034 -56.099 23.1468 -56.0988 166.994 -2.24532 23.1468 -2.24542 -64.6951 GPRESSURE: 2257400 344.879 12.0827 -9.39944 -82.0827 195.866 38.5501 -72.7045 -131.844 22.6624 PRESSAVG: 2257400 4.19632 -41.2384 13.1031 -41.2384 7.0834 8.67506 13.1031 8.67505 6.62992 GPRESSAVG: 2257400 3.94191 -41.1406 12.3485 -42.6256 6.42788 8.79638 13.0129 6.57814 8.30506 TIMING: 2257400 CPU: 7126.36, 0.00324717/step Wall: 7126.36, 0.00324717/step, 2.4738 hours remaining, 239.125000 MB of memory in use. ENERGY: 2257400 3992.8862 20440.5491 14342.4784 248.5569 -203467.4362 2608.6103 0.0000 0.0000 52014.8099 -109819.5455 298.9298 -161834.3554 -109453.5519 298.7453 163.1109 187.8026 760936.0861 5.9699 6.2249 PRESSURE: 2257600 60.9009 73.974 -93.3124 73.9739 76.7145 -78.2279 -93.3122 -78.2275 176.768 GPRESSURE: 2257600 123.008 113.908 5.43588 -52.4947 83.2588 -109.211 -157.858 -103.859 211.446 PRESSAVG: 2257600 -14.6177 -22.0692 -3.72893 -22.0691 2.67755 41.5831 -3.72894 41.5831 -3.5347 GPRESSAVG: 2257600 -15.2754 -23.0025 -2.89794 -22.7971 4.68434 41.407 -2.61789 42.2291 -4.73013 TIMING: 2257600 CPU: 7127, 0.00323124/step Wall: 7127, 0.00323124/step, 2.46149 hours remaining, 239.125000 MB of memory in use. ENERGY: 2257600 4058.0038 20600.4050 14432.5586 253.2515 -203725.6589 2535.1755 0.0000 0.0000 51937.2363 -109909.0282 298.4840 -161846.2645 -109562.2164 298.6857 104.7944 139.2375 759996.2924 -5.1583 -5.1071 PRESSURE: 2257800 -234.255 -132.392 -240.456 -132.393 -354.276 -4.48636 -240.456 -4.48613 -320.766 GPRESSURE: 2257800 -239.468 -94.0538 -166.605 -183.97 -243.003 6.60399 -124.598 29.7247 -365 PRESSAVG: 2257800 28.8114 6.82592 11.7153 6.82587 -50.4939 11.8499 11.7153 11.8499 -2.09526 GPRESSAVG: 2257800 30.3083 6.71778 13.414 7.84282 -51.8989 11.5415 9.40808 11.802 -1.9211 TIMING: 2257800 CPU: 7127.65, 0.00322904/step Wall: 7127.65, 0.00322904/step, 2.45963 hours remaining, 239.125000 MB of memory in use. ENERGY: 2257800 4058.0972 20500.9205 14366.5960 237.1539 -203764.5573 2483.0976 0.0000 0.0000 52002.2923 -110116.3998 298.8579 -162118.6921 -109752.4098 298.8489 -303.0991 -282.4900 761122.5923 -7.9259 -7.8372 PRESSURE: 2258000 -47.2288 -144.018 53.4903 -144.018 19.7466 37.4415 53.4913 37.442 -318.559 GPRESSURE: 2258000 -0.0823322 -143.972 24.5842 -69.736 57.9304 79.7661 56.8228 -191.099 -323.669 PRESSAVG: 2258000 21.658 -2.48835 -16.0208 -2.48831 -10.9645 9.36978 -16.0208 9.36985 -3.24596 GPRESSAVG: 2258000 20.6562 -2.72807 -16.3258 -3.59704 -10.8823 9.65487 -15.9008 7.98332 -2.1775 TIMING: 2258000 CPU: 7128.3, 0.00324107/step Wall: 7128.3, 0.00324107/step, 2.46862 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2258000 4022.6996 20581.2867 14390.5611 250.1311 -203478.9409 2407.5962 0.0000 0.0000 51712.0462 -110114.6200 297.1898 -161826.6662 -109759.7428 298.3145 -115.3472 -88.6069 759800.4164 2.4825 2.5321 PRESSURE: 2258200 41.4897 -53.3973 -138.864 -53.3974 83.4674 72.2668 -138.864 72.2674 60.1773 GPRESSURE: 2258200 177.265 -37.6566 -159.592 -24.7666 72.333 21.6351 -151.976 113.933 25.7173 PRESSAVG: 2258200 4.7246 -3.02677 -3.37824 -3.02673 61.6271 -43.994 -3.37813 -43.994 11.2576 GPRESSAVG: 2258200 4.85025 -2.55717 -3.68321 -1.37905 62.632 -44.2298 -2.18687 -44.2707 10.0798 TIMING: 2258200 CPU: 7128.94, 0.00322469/step Wall: 7128.94, 0.00322469/step, 2.45596 hours remaining, 239.125000 MB of memory in use. ENERGY: 2258200 3921.2633 20524.0184 14441.9877 257.4439 -203517.7018 2441.6909 0.0000 0.0000 51810.8447 -110120.4530 297.7576 -161931.2977 -109761.2786 298.1747 61.7114 91.7719 759111.1203 25.8698 25.8540 PRESSURE: 2258400 -280.993 149.057 231.876 149.058 -374.694 -165.445 231.877 -165.445 -354.126 GPRESSURE: 2258400 -282.786 218.203 260.213 74.7438 -209.722 -109.66 167.263 -125.416 -404.727 PRESSAVG: 2258400 -57.2865 44.2744 20.3673 44.2745 22.1036 -0.542791 20.3674 -0.542736 -0.931462 GPRESSAVG: 2258400 -57.6354 46.3641 20.1901 41.215 21.9597 0.884971 23.2515 -0.487623 -0.394837 TIMING: 2258400 CPU: 7129.58, 0.00320851/step Wall: 7129.58, 0.00320851/step, 2.44346 hours remaining, 239.125000 MB of memory in use. ENERGY: 2258400 3976.2435 20522.7864 14461.7340 246.5537 -203508.4596 2349.2451 0.0000 0.0000 51875.8662 -110076.0308 298.1313 -161951.8970 -109717.2752 298.0287 -336.6041 -299.0786 760070.5993 -12.0381 -12.0235 PRESSURE: 2258600 -362.567 16.1613 56.111 16.1622 -1.83369 -38.6002 56.1124 -38.6005 -325.912 GPRESSURE: 2258600 -312.233 -10.4917 -12.9681 10.0386 -10.5365 -5.55127 58.229 0.814309 -257.623 PRESSAVG: 2258600 -6.13832 9.59202 -40.0269 9.59195 -13.2351 18.1554 -40.027 18.1554 -2.54632 GPRESSAVG: 2258600 -5.30344 6.09804 -41.7566 11.2288 -14.5487 17.1551 -42.7904 20.4996 -1.76915 TIMING: 2258600 CPU: 7130.23, 0.00321852/step Wall: 7130.23, 0.00321852/step, 2.45091 hours remaining, 239.125000 MB of memory in use. ENERGY: 2258600 4016.2182 20415.0379 14457.4002 259.7575 -203618.7945 2563.0057 0.0000 0.0000 51907.4417 -109999.9335 298.3128 -161907.3752 -109631.4765 298.1029 -230.1041 -193.4640 760572.6507 -7.3066 -7.2071 PRESSURE: 2258800 -198.248 -39.5062 -114.9 -39.5054 -221.564 -8.86396 -114.9 -8.86487 0.0829818 GPRESSURE: 2258800 -130.366 8.72859 -98.4541 -24.111 -191.051 89.0044 -183.458 -9.7576 -15.0758 PRESSAVG: 2258800 -9.79045 51.4363 -34.4539 51.4363 0.509561 -20.6999 -34.4538 -20.6999 11.9957 GPRESSAVG: 2258800 -10.9331 52.6546 -32.856 51.617 2.17927 -22.4702 -33.832 -23.3595 11.5298 TIMING: 2258800 CPU: 7130.87, 0.00322791/step Wall: 7130.87, 0.00322791/step, 2.45787 hours remaining, 239.125000 MB of memory in use. ENERGY: 2258800 3950.4481 20425.6600 14384.5128 245.1434 -203182.1190 2177.8262 0.0000 0.0000 51941.8002 -110056.7284 298.5102 -161998.5286 -109687.9855 298.2016 -139.9096 -112.1644 760636.9715 0.9049 0.9253 PRESSURE: 2259000 -169.132 36.3584 -27.8139 36.3579 -115.336 64.2985 -27.8149 64.3007 -352.427 GPRESSURE: 2259000 -126.813 -4.50742 80.9188 98.2231 -110.41 82.7581 -59.0089 45.6785 -297.221 PRESSAVG: 2259000 -35.1891 12.7862 15.7987 12.7862 49.3596 -23.7809 15.7986 -23.7809 11.7012 GPRESSAVG: 2259000 -35.1251 13.5701 16.1967 12.5912 49.7364 -21.6294 13.9541 -22.3084 11.558 TIMING: 2259000 CPU: 7131.51, 0.00319395/step Wall: 7131.51, 0.00319394/step, 2.43183 hours remaining, 239.125000 MB of memory in use. ENERGY: 2259000 3996.6861 20303.6703 14480.5719 270.6123 -203717.6889 2505.4805 0.0000 0.0000 51898.6017 -110262.0662 298.2620 -162160.6679 -109902.6238 298.1076 -212.2983 -178.1479 760104.6666 8.6239 8.7231 PRESSURE: 2259200 -190.627 -3.22971 216.348 -3.22813 -9.65491 57.4189 216.348 57.4193 188.636 GPRESSURE: 2259200 -88.6457 -12.8869 199.63 -61.5895 35.8762 79.5471 160.203 151.334 131.82 PRESSAVG: 2259200 43.7752 -0.384055 -24.9842 -0.383996 -57.7235 68.5204 -24.9842 68.5204 -18.772 GPRESSAVG: 2259200 43.9493 -2.05629 -23.6747 -1.58317 -58.8803 68.9395 -22.6369 67.1731 -17.6739 TIMING: 2259200 CPU: 7132.15, 0.00320855/step Wall: 7132.15, 0.00320855/step, 2.44278 hours remaining, 239.125000 MB of memory in use. ENERGY: 2259200 4075.5685 20453.0308 14443.1832 242.4708 -203807.8330 2462.2545 0.0000 0.0000 52023.4836 -110107.8415 298.9797 -162131.3252 -109743.1118 297.8956 -3.8818 26.3501 759357.9165 -10.9068 -10.8683 PRESSURE: 2259400 158.652 -88.0266 44.5151 -88.0265 228.811 -178.876 44.5146 -178.877 202.929 GPRESSURE: 2259400 195.427 149.362 -33.8288 -192.589 193.837 -208.698 11.4613 -324.078 278.995 PRESSAVG: 2259400 -8.89828 -7.91114 27.0715 -7.91111 -22.6244 52.7843 27.0715 52.7843 0.274486 GPRESSAVG: 2259400 -7.50054 -6.65771 25.5135 -8.06495 -22.5795 51.8731 26.1569 54.4102 -1.40632 TIMING: 2259400 CPU: 7132.79, 0.00320624/step Wall: 7132.79, 0.00320624/step, 2.44084 hours remaining, 239.125000 MB of memory in use. ENERGY: 2259400 4052.6639 20636.9606 14403.1068 241.6467 -204077.8300 2640.9548 0.0000 0.0000 52024.5476 -110077.9496 298.9858 -162102.4972 -109723.1241 298.4046 196.7975 222.7531 759869.5392 -10.4161 -10.4955 PRESSURE: 2259600 -63.1801 -194.577 239.893 -194.576 -281.488 53.3451 239.892 53.3459 162.492 GPRESSURE: 2259600 -98.4043 -182.783 300.757 -163.769 -148.674 51.359 118.366 102.083 162.865 PRESSAVG: 2259600 10.8929 -51.6689 -27.5832 -51.6689 -20.535 -35.7283 -27.5831 -35.7282 9.50972 GPRESSAVG: 2259600 9.487 -51.8754 -27.6534 -50.6979 -19.7739 -35.8799 -29.2401 -35.7049 10.0332 TIMING: 2259600 CPU: 7133.44, 0.00322699/step Wall: 7133.44, 0.00322699/step, 2.45646 hours remaining, 239.125000 MB of memory in use. ENERGY: 2259600 3954.0471 20400.2856 14427.4195 229.9245 -203397.2899 2409.9358 0.0000 0.0000 51946.6748 -110029.0025 298.5383 -161975.6773 -109665.1889 298.1575 -60.7256 -28.0709 759966.5848 -0.0441 -0.0846 PRESSURE: 2259800 -152.298 114.113 -6.56165 114.112 61.2291 -141.225 -6.56245 -141.224 -175.929 GPRESSURE: 2259800 -144.622 70.4168 -6.098 83.8828 89.9513 -114.208 49.8734 -148.873 -135.396 PRESSAVG: 2259800 -42.5328 62.4763 21.0976 62.4763 10.1195 16.6569 21.0976 16.657 34.0291 GPRESSAVG: 2259800 -43.7301 62.5835 22.2802 61.4417 10.7233 16.8346 19.9016 17.2894 34.8698 TIMING: 2259800 CPU: 7134.08, 0.00321709/step Wall: 7134.08, 0.00321709/step, 2.44875 hours remaining, 239.125000 MB of memory in use. ENERGY: 2259800 4047.9442 20364.0675 14506.8844 255.0631 -203280.5702 2551.4781 0.0000 0.0000 51704.4095 -109850.7235 297.1460 -161555.1330 -109497.0098 298.1670 -88.9993 -63.3555 760325.2125 0.5386 0.6210 PRESSURE: 2260000 -336.52 29.4374 -213.121 29.4384 -96.8039 -116.854 -213.121 -116.855 -372.1 GPRESSURE: 2260000 -251.366 -120.993 -130.401 -58.231 -137.921 8.13352 -94.8523 -158.494 -314.559 PRESSAVG: 2260000 -12.763 -73.5729 -9.30715 -73.5729 5.18629 28.412 -9.30716 28.412 3.52803 GPRESSAVG: 2260000 -10.8505 -74.5728 -9.8433 -72.6422 3.51207 28.8876 -4.73216 26.867 3.4462 TIMING: 2260000 CPU: 7134.73, 0.00323221/step Wall: 7134.73, 0.00323221/step, 2.46007 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2260000 4008.1203 20365.8407 14544.5228 235.6959 -202920.5852 2146.3589 0.0000 0.0000 51869.8755 -109750.1712 298.0969 -161620.0467 -109383.2315 298.8308 -268.4746 -234.6156 761156.9585 -1.3496 -1.2974 PRESSURE: 2260200 -297.03 -7.20917 -19.5583 -7.20921 55.7598 109.093 -19.5577 109.092 190.387 GPRESSURE: 2260200 -139.015 1.99814 -23.7291 76.7058 -11.0218 98.1305 -4.44545 162.761 180.954 PRESSAVG: 2260200 -2.44789 19.1288 -4.76456 19.1287 -28.4495 48.4074 -4.76451 48.4073 -19.8444 GPRESSAVG: 2260200 -2.43098 19.1201 -3.8205 18.7952 -29.1552 48.8395 -6.44053 48.2975 -19.3872 TIMING: 2260200 CPU: 7135.37, 0.00322429/step Wall: 7135.37, 0.00322429/step, 2.45386 hours remaining, 239.125000 MB of memory in use. ENERGY: 2260200 4005.1096 20479.6195 14403.1952 257.1481 -203248.1839 2432.5307 0.0000 0.0000 51990.7444 -109679.8364 298.7915 -161670.5808 -109327.4186 298.8486 -16.9609 10.3056 761398.2177 -16.9139 -16.9911 LDB: ============= START OF LOAD BALANCING ============== 7147.78 LDB: ============== END OF LOAD BALANCING =============== 7147.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7147.78 LDB: ============= START OF LOAD BALANCING ============== 7148.11 LDB: Largest compute 7034 load 0.036922 is 18.8% of average load 0.195880 LDB: Average compute 0.004420 is 2.3% of average load 0.195880 LDB: TIME 7148.11 LOAD: AVG 0.19588 MAX 0.218083 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 7148.11 LOAD: AVG 0.19588 MAX 0.218083 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: TIME 7148.11 LOAD: AVG 0.19588 MAX 0.218083 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: ============== END OF LOAD BALANCING =============== 7148.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7148.12 PRESSURE: 2260400 102.416 11.3044 -250.931 11.3041 53.2454 -142.466 -250.931 -142.464 -278.877 GPRESSURE: 2260400 150.993 -25.0439 -216.704 29.6522 80.0883 -208.788 -183.182 77.2932 -278.531 PRESSAVG: 2260400 -48.4089 24.0701 -28.6412 24.07 10.9645 34.1596 -28.6412 34.1597 4.97243 GPRESSAVG: 2260400 -49.0238 24.7611 -28.8767 24.6683 11.7123 33.5769 -28.2537 35.0067 4.74359 TIMING: 2260400 CPU: 7136.04, 0.00332037/step Wall: 7136.04, 0.00332037/step, 2.5268 hours remaining, 239.894531 MB of memory in use. ENERGY: 2260400 3917.0611 20549.6971 14448.5586 257.9453 -203497.8444 2635.5003 0.0000 0.0000 51923.6473 -109765.4347 298.4059 -161689.0820 -109392.8128 298.8247 -41.0719 -15.8166 759540.2818 -10.8240 -10.8560 PRESSURE: 2260600 -334.932 -79.9668 -229.364 -79.9669 -127.401 142.266 -229.363 142.267 253.641 GPRESSURE: 2260600 -319.257 82.7706 -280.54 -47.4227 -4.68561 41.3649 -256.292 55.6049 188.78 PRESSAVG: 2260600 -39.7149 30.3681 -49.5729 30.3681 55.0899 56.9334 -49.5729 56.9335 6.06358 GPRESSAVG: 2260600 -39.9113 30.4927 -50.1759 30.1918 55.9874 55.5914 -51.555 57.5688 5.56208 TIMING: 2260600 CPU: 7136.68, 0.00321678/step Wall: 7136.68, 0.00321678/step, 2.44779 hours remaining, 239.894531 MB of memory in use. ENERGY: 2260600 4021.6853 20421.9133 14479.6035 258.2730 -203640.6201 2874.3426 0.0000 0.0000 51896.6831 -109688.1193 298.2510 -161584.8024 -109329.5093 299.3636 -69.5641 -45.0541 759689.1469 7.1462 7.2127 PRESSURE: 2260800 202.077 144.601 -2.47466 144.601 121.181 -29.9964 -2.47509 -29.9967 118.279 GPRESSURE: 2260800 240.766 62.4336 -57.7578 128.416 231.309 28.0993 46.054 -200.032 51.8176 PRESSAVG: 2260800 -22.0689 -11.3604 -18.9779 -11.3604 28.8508 60.0144 -18.9779 60.0143 3.45119 GPRESSAVG: 2260800 -22.0221 -10.2402 -18.9795 -14.0415 28.5903 60.7052 -18.0845 57.9744 3.62046 TIMING: 2260800 CPU: 7137.33, 0.00322711/step Wall: 7137.33, 0.00322711/step, 2.45547 hours remaining, 239.894531 MB of memory in use. ENERGY: 2260800 3963.6777 20490.3459 14374.1105 242.3492 -203311.0013 2726.3575 0.0000 0.0000 51930.8127 -109583.3478 298.4471 -161514.1605 -109231.6121 299.2408 147.1788 174.6310 760942.7651 3.4110 3.3962 PRESSURE: 2261000 -126.39 -153.477 -79.9408 -153.477 -381.128 248.459 -79.9413 248.459 -467.541 GPRESSURE: 2261000 -143.697 -143.959 -161.392 -188.086 -268.29 267.996 -20.6592 311.653 -456.926 PRESSAVG: 2261000 -27.8197 -38.5453 -32.65 -38.5453 -1.17725 20.5147 -32.65 20.5146 -0.0211293 GPRESSAVG: 2261000 -27.6248 -41.6527 -32.9097 -38.0591 -1.69618 20.2622 -31.3548 22.7812 0.610188 TIMING: 2261000 CPU: 7137.98, 0.00324989/step Wall: 7137.98, 0.00324989/step, 2.47262 hours remaining, 239.894531 MB of memory in use. ENERGY: 2261000 3912.2794 20409.6993 14462.0475 257.0616 -202794.3407 2342.6150 0.0000 0.0000 51854.1016 -109556.5362 298.0062 -161410.6379 -109204.5112 299.0050 -325.0197 -289.6378 762289.9882 -9.6727 -9.5703 PRESSURE: 2261200 -125.838 52.4304 -40.4359 52.4305 -4.67659 -219.903 -40.4352 -219.904 688.917 GPRESSURE: 2261200 -123.287 35.6594 -21.8108 111.787 37.9249 -233.414 -9.85569 -127.957 730.714 PRESSAVG: 2261200 -4.07907 -20.5696 -7.27599 -20.5696 -0.432146 -8.2498 -7.27601 -8.24977 7.10839 GPRESSAVG: 2261200 -4.02824 -18.3665 -7.59661 -18.7387 -0.278257 -7.50758 -9.24632 -10.3742 6.66271 TIMING: 2261200 CPU: 7138.62, 0.00322421/step Wall: 7138.62, 0.00322421/step, 2.45291 hours remaining, 239.894531 MB of memory in use. ENERGY: 2261200 3940.5657 20486.6603 14400.4794 239.6063 -203412.5380 2802.9328 0.0000 0.0000 52056.0205 -109486.2730 299.1667 -161542.2935 -109124.5271 299.2264 186.1341 215.1172 761113.4422 0.8657 0.7854 PRESSURE: 2261400 80.494 -104.968 135.297 -104.967 -60.2137 37.2795 135.297 37.2784 -44.8223 GPRESSURE: 2261400 15.3858 -63.2949 79.3451 -45.2273 62.3771 6.75652 63.7103 5.39484 -29.6794 PRESSAVG: 2261400 -24.9436 7.17461 -15.5923 7.17467 77.0488 35.1145 -15.5923 35.1146 21.9116 GPRESSAVG: 2261400 -24.6975 5.017 -15.6814 9.05699 76.866 36.1183 -13.6026 35.2416 21.431 TIMING: 2261400 CPU: 7139.27, 0.00324406/step Wall: 7139.27, 0.00324406/step, 2.46783 hours remaining, 239.894531 MB of memory in use. ENERGY: 2261400 3967.8204 20464.8068 14406.2519 242.5440 -203321.5052 2398.2549 0.0000 0.0000 52327.5331 -109514.2943 300.7271 -161841.8274 -109155.8640 299.7419 -8.1806 16.0279 759649.9661 24.6723 24.5332 PRESSURE: 2261600 -130.846 -100.83 -16.3308 -100.831 11.7729 81.8638 -16.3302 81.866 201.934 GPRESSURE: 2261600 -17.1666 -76.3414 -47.5311 -13.8026 83.4852 29.1865 49.4111 42.131 103.637 PRESSAVG: 2261600 -61.9854 12.9775 -21.2283 12.9775 11.0771 -16.3006 -21.2283 -16.3006 7.10018 GPRESSAVG: 2261600 -62.3656 14.2198 -22.3613 11.4214 11.1959 -17.5623 -21.4527 -17.5719 7.75823 TIMING: 2261600 CPU: 7139.92, 0.0032317/step Wall: 7139.92, 0.0032317/step, 2.45825 hours remaining, 239.894531 MB of memory in use. ENERGY: 2261600 3938.6253 20530.3061 14468.7806 254.9627 -203336.2425 2444.8948 0.0000 0.0000 51973.3541 -109725.3189 298.6916 -161698.6730 -109364.1245 299.4372 27.6202 56.6518 759430.4728 -14.6027 -14.4705 PRESSURE: 2261800 -119.537 138.789 83.6494 138.789 152.311 43.893 83.6508 43.892 -230.489 GPRESSURE: 2261800 -86.4326 233.642 21.1765 -5.05665 106.122 84.6977 175.162 59.4081 -121.408 PRESSAVG: 2261800 14.4684 -2.3911 -11.6507 -2.39111 -4.47992 -36.4342 -11.6508 -36.4342 -12.136 GPRESSAVG: 2261800 13.8847 -0.997782 -10.0715 -2.09879 -4.26113 -34.6322 -12.6124 -37.7373 -11.3574 TIMING: 2261800 CPU: 7140.56, 0.00322185/step Wall: 7140.56, 0.00322185/step, 2.45057 hours remaining, 239.894531 MB of memory in use. ENERGY: 2261800 3973.6520 20628.3311 14434.0894 266.9245 -203381.5802 2316.9669 0.0000 0.0000 52061.4218 -109700.1946 299.1977 -161761.6164 -109346.0194 299.4664 -65.9047 -33.9063 759178.3738 -0.7158 -0.5779 PRESSURE: 2262000 108.495 -14.6349 -121.276 -14.6351 67.766 -112.754 -121.276 -112.755 323.929 GPRESSURE: 2262000 179.179 90.6977 -78.2673 -50.6072 97.5078 -131.44 -144.984 45.6811 314.347 PRESSAVG: 2262000 -3.67144 -48.1751 -6.63915 -48.1751 2.96701 -22.8861 -6.6391 -22.8861 -11.3091 GPRESSAVG: 2262000 -3.63611 -49.4657 -7.55552 -48.7966 2.98366 -23.9822 -5.06867 -20.2168 -11.9205 TIMING: 2262000 CPU: 7141.2, 0.00321823/step Wall: 7141.2, 0.00321823/step, 2.44764 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2262000 3952.0416 20411.6638 14454.6977 245.3280 -203594.1029 2712.9677 0.0000 0.0000 52269.8675 -109547.5366 300.3956 -161817.4042 -109185.1525 299.5817 166.7300 197.0114 760218.2811 -4.0045 -4.1910 PRESSURE: 2262200 -168.691 -25.3081 -68.3939 -25.3078 116.909 64.0419 -68.3936 64.0415 361.827 GPRESSURE: 2262200 -137.544 -53.1911 -98.1464 -7.99425 156.532 57.4887 -212.694 226.827 363.717 PRESSAVG: 2262200 -28.1319 13.019 21.1109 13.019 0.314815 -8.20745 21.111 -8.20748 7.31363 GPRESSAVG: 2262200 -27.8462 14.3237 21.6634 13.1329 -0.682248 -7.78387 19.3264 -7.29523 7.84841 TIMING: 2262200 CPU: 7141.85, 0.00321405/step Wall: 7141.85, 0.00321406/step, 2.44429 hours remaining, 239.894531 MB of memory in use. ENERGY: 2262200 3904.2252 20464.8448 14433.9696 229.6610 -203239.0624 2170.1678 0.0000 0.0000 52237.7281 -109798.4657 300.2109 -162036.1939 -109431.7429 299.0467 103.3485 127.5684 761282.3919 -6.8345 -6.8934 PRESSURE: 2262400 -40.3054 -132.792 -83.9799 -132.791 321.73 -103.909 -83.9803 -103.909 17.6943 GPRESSURE: 2262400 63.4398 -130.421 -113.63 -90.7085 287.246 -54.5982 -99.6992 -136.507 44.9155 PRESSAVG: 2262400 -22.6087 12.0929 -35.1198 12.0929 46.1914 44.6351 -35.1197 44.6351 -2.24884 GPRESSAVG: 2262400 -21.5575 12.7011 -36.2091 11.2475 46.7598 43.0071 -33.9029 43.4735 -3.52381 TIMING: 2262400 CPU: 7142.49, 0.00320397/step Wall: 7142.49, 0.00320397/step, 2.43644 hours remaining, 239.894531 MB of memory in use. ENERGY: 2262400 4071.9392 20558.5667 14422.5524 254.1131 -203859.8219 2827.2462 0.0000 0.0000 52113.7947 -109611.6096 299.4987 -161725.4043 -109245.2568 299.2143 99.7062 131.8671 758793.5493 7.1113 7.2262 PRESSURE: 2262600 -182.172 30.4429 -146.323 30.4423 -325.972 201.604 -146.323 201.604 -347.906 GPRESSURE: 2262600 -62.7946 -27.585 -79.4179 -0.623665 -310.137 129.623 -18.0801 95.1607 -393.215 PRESSAVG: 2262600 31.9316 43.4459 -8.38102 43.4459 -34.2084 79.1384 -8.38096 79.1384 12.4854 GPRESSAVG: 2262600 31.1064 42.8808 -7.29433 44.2467 -33.5865 81.0004 -8.92383 77.852 13.3195 TIMING: 2262600 CPU: 7143.13, 0.00322188/step Wall: 7143.13, 0.00322189/step, 2.44989 hours remaining, 239.894531 MB of memory in use. ENERGY: 2262600 4019.3161 20524.6193 14417.8060 231.7883 -203086.9580 2049.8595 0.0000 0.0000 52170.5401 -109673.0288 299.8248 -161843.5688 -109314.5694 299.2193 -285.3503 -255.3821 760267.6072 3.4029 3.6131 PRESSURE: 2262800 -276.287 1.09192 -40.4654 1.0928 -156.834 117.77 -40.4641 117.769 -284.42 GPRESSURE: 2262800 -253.918 -12.7994 -76.7358 -73.2589 -181.733 185.995 -121.687 -9.07086 -195.894 PRESSAVG: 2262800 -2.47013 41.6757 4.44829 41.6757 -22.5117 48.3252 4.44831 48.3252 -5.06251 GPRESSAVG: 2262800 -2.17998 40.9333 4.40644 41.9261 -21.8861 46.1101 4.70465 48.7789 -5.72641 TIMING: 2262800 CPU: 7143.78, 0.00323122/step Wall: 7143.78, 0.00323121/step, 2.4568 hours remaining, 239.894531 MB of memory in use. ENERGY: 2262800 3983.5690 20404.5303 14426.7087 258.5885 -202823.2730 2254.3186 0.0000 0.0000 51919.8404 -109575.7174 298.3840 -161495.5578 -109221.3611 299.5536 -239.1803 -210.5152 762134.2247 -10.0148 -9.9308 PRESSURE: 2263000 241.034 -57.3571 -100.014 -57.3578 164.386 -89.5784 -100.013 -89.5787 -342.575 GPRESSURE: 2263000 283.158 -93.5501 -51.949 -98.928 197.822 -68.8838 -111.977 -69.6566 -336.095 PRESSAVG: 2263000 5.58414 23.9707 9.20753 23.9706 15.9644 24.3674 9.20752 24.3675 9.77529 GPRESSAVG: 2263000 5.32537 24.368 7.91543 24.6999 15.0356 24.3174 11.0188 27.0469 10.4806 TIMING: 2263000 CPU: 7144.42, 0.00321034/step Wall: 7144.42, 0.00321034/step, 2.44075 hours remaining, 239.894531 MB of memory in use. ENERGY: 2263000 4004.3562 20593.5603 14483.1008 246.3797 -203229.0184 2487.4238 0.0000 0.0000 52118.1786 -109296.0191 299.5239 -161414.1977 -108927.1490 299.7397 20.9484 48.2946 759717.9021 10.4413 10.2805 PRESSURE: 2263200 -100.906 9.39085 16.5148 9.39097 -320.842 14.4151 16.5154 14.4152 138.936 GPRESSURE: 2263200 -127.814 -8.65394 2.45451 -55.5617 -242.884 84.4385 34.3308 -119.735 165.762 PRESSAVG: 2263200 -9.07354 -25.1175 -42.1499 -25.1175 38.284 -1.72825 -42.1499 -1.72816 10.5226 GPRESSAVG: 2263200 -8.40862 -23.0858 -40.9292 -27.2487 37.8586 0.905508 -43.7682 -5.82304 10.0981 TIMING: 2263200 CPU: 7145.06, 0.00321115/step Wall: 7145.06, 0.00321115/step, 2.44119 hours remaining, 239.894531 MB of memory in use. ENERGY: 2263200 4051.8333 20462.8428 14455.8805 272.2140 -203269.7845 2463.1446 0.0000 0.0000 52166.1815 -109397.6878 299.7998 -161563.8693 -109033.9306 300.0325 -94.2707 -68.3119 760695.6347 13.2444 13.1827 PRESSURE: 2263400 -72.5154 184.486 -138.727 184.486 242.317 136.036 -138.727 136.037 -23.7488 GPRESSURE: 2263400 -82.9583 183.331 -154.714 64.0749 316.217 108.509 -118.4 18.1188 5.01323 PRESSAVG: 2263400 -29.4467 -1.61869 16.3298 -1.61871 68.2496 -24.4718 16.3298 -24.4718 5.71499 GPRESSAVG: 2263400 -29.425 -3.71684 15.3706 0.165391 68.0556 -27.3118 15.5755 -23.066 5.93399 TIMING: 2263400 CPU: 7145.71, 0.00322257/step Wall: 7145.71, 0.00322256/step, 2.44969 hours remaining, 239.894531 MB of memory in use. ENERGY: 2263400 3972.0659 20588.6947 14419.4734 253.5122 -202818.7900 2173.6860 0.0000 0.0000 52024.2540 -109387.1039 298.9841 -161411.3579 -109029.9677 299.3820 48.6844 79.4238 760057.8975 14.8393 14.8549 PRESSURE: 2263600 -81.6358 -4.79312 -108.309 -4.79321 -309.508 10.6612 -108.309 10.6604 249.115 GPRESSURE: 2263600 -57.7702 31.0249 -66.8519 -74.0855 -249.801 -1.86662 -76.1641 107.559 238.345 PRESSAVG: 2263600 -61.477 6.23928 7.05939 6.23931 24.7907 -41.4354 7.05939 -41.4354 -4.20919 GPRESSAVG: 2263600 -62.447 5.25274 8.61624 6.49002 25.061 -39.5807 7.46589 -41.6647 -3.54541 TIMING: 2263600 CPU: 7146.35, 0.00322492/step Wall: 7146.35, 0.00322492/step, 2.4513 hours remaining, 239.894531 MB of memory in use. ENERGY: 2263600 4007.6691 20638.8716 14435.0409 260.4955 -203494.9199 2483.7059 0.0000 0.0000 52295.0047 -109374.1322 300.5401 -161669.1369 -109022.8613 299.2339 -47.3426 -23.0755 761806.3599 -13.6318 -13.6438 PRESSURE: 2263800 282.689 285.849 -55.9109 285.848 1.59021 -72.4569 -55.9102 -72.4572 -97.707 GPRESSURE: 2263800 291.571 232.155 -95.9514 249.839 -20.8673 -129.966 -30.5237 -84.7765 12.2236 PRESSAVG: 2263800 -15.1714 -35.7063 31.6217 -35.7064 -12.9498 19.3115 31.6217 19.3115 8.06832 GPRESSAVG: 2263800 -15.3317 -35.5429 32.3971 -35.3896 -12.3498 18.9785 29.4308 20.1705 7.31331 TIMING: 2263800 CPU: 7147, 0.00326374/step Wall: 7147, 0.00326374/step, 2.48062 hours remaining, 239.894531 MB of memory in use. ENERGY: 2263800 4144.4600 20364.7441 14478.7127 240.8144 -203143.9125 2568.7704 0.0000 0.0000 51916.7853 -109429.6255 298.3665 -161346.4108 -109073.1240 299.1412 62.1906 94.3092 761009.8091 -6.6843 -6.7894 PRESSURE: 2264000 200.41 32.098 33.5333 32.0976 -81.0743 -315.002 33.5321 -315.002 165.16 GPRESSURE: 2264000 199.952 -87.697 55.7666 -11.919 -45.9091 -229.557 -2.29023 -321.076 230.923 PRESSAVG: 2264000 -0.777355 3.8875 6.95758 3.8875 -17.2029 -6.10849 6.95757 -6.10852 6.00665 GPRESSAVG: 2264000 0.32236 3.04334 6.57311 3.94648 -18.4826 -5.20063 8.95639 -6.76099 5.8876 TIMING: 2264000 CPU: 7147.64, 0.00318729/step Wall: 7147.64, 0.00318729/step, 2.42234 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2264000 3975.2024 20407.8223 14460.2093 256.0209 -202935.2889 2192.5305 0.0000 0.0000 51928.3789 -109715.1246 298.4331 -161643.5035 -109349.9930 299.0823 94.8319 128.3220 760605.9657 -3.9912 -4.0909 PRESSURE: 2264200 -108.922 -103.668 -277.921 -103.668 -219.702 203.355 -277.922 203.356 -118.824 GPRESSURE: 2264200 -100.772 28.4292 -145.623 -47.2737 -150.266 158.89 -315.689 204.225 -95.1315 PRESSAVG: 2264200 28.5447 35.4508 -53.1617 35.4508 -5.40903 -19.5016 -53.1618 -19.5016 -14.6335 GPRESSAVG: 2264200 27.9844 37.3684 -53.4075 36.6432 -4.729 -21.0209 -54.943 -17.9777 -14.3154 TIMING: 2264200 CPU: 7148.29, 0.00322573/step Wall: 7148.29, 0.00322573/step, 2.45138 hours remaining, 239.894531 MB of memory in use. ENERGY: 2264200 3932.1094 20466.8617 14390.9674 236.1668 -202921.7854 2140.3866 0.0000 0.0000 51938.2975 -109816.9960 298.4901 -161755.2936 -109447.6051 299.0245 -149.1489 -115.3899 760601.6044 2.8340 2.9800 LDB: ============= START OF LOAD BALANCING ============== 7160.69 LDB: ============== END OF LOAD BALANCING =============== 7160.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7160.69 LDB: ============= START OF LOAD BALANCING ============== 7161.01 LDB: Largest compute 7047 load 0.034552 is 17.6% of average load 0.195866 LDB: Average compute 0.004407 is 2.3% of average load 0.195866 LDB: TIME 7161.01 LOAD: AVG 0.195866 MAX 0.21567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 7161.01 LOAD: AVG 0.195866 MAX 0.21567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: TIME 7161.01 LOAD: AVG 0.195866 MAX 0.21567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: ============== END OF LOAD BALANCING =============== 7161.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7161.02 PRESSURE: 2264400 -156.316 85.8997 62.5997 85.8987 269.402 222.848 62.5991 222.847 423.14 GPRESSURE: 2264400 -49.961 41.4606 -3.87489 94.6811 278.556 299.948 63.1354 111.531 393.052 PRESSAVG: 2264400 -30.116 -21.798 3.51483 -21.798 89.278 26.8998 3.51483 26.8999 1.61441 GPRESSAVG: 2264400 -29.9006 -21.8787 3.46499 -23.3309 89.4669 28.0873 4.32117 23.3954 1.01602 TIMING: 2264400 CPU: 7148.94, 0.00324362/step Wall: 7148.94, 0.00324362/step, 2.46479 hours remaining, 238.468750 MB of memory in use. ENERGY: 2264400 3957.7752 20321.3565 14426.9756 250.8535 -203454.6997 2540.2948 0.0000 0.0000 51925.0846 -110032.3596 298.4142 -161957.4441 -109665.9581 298.1831 178.7422 207.2157 760264.0591 20.2588 20.1941 PRESSURE: 2264600 -83.0985 78.9308 121.257 78.9301 -350.413 152.898 121.258 152.898 -92.1719 GPRESSURE: 2264600 -80.5827 128.509 37.7855 -85.9555 -191.93 220.357 51.0513 132.71 -168.795 PRESSAVG: 2264600 2.85339 -19.6881 48.2673 -19.6881 37.2148 -30.0616 48.2673 -30.0616 -4.72415 GPRESSAVG: 2264600 2.37622 -18.2161 47.5984 -21.2231 37.1916 -31.136 49.1587 -30.7309 -4.2635 TIMING: 2264600 CPU: 7149.57, 0.00318426/step Wall: 7149.57, 0.00318426/step, 2.41951 hours remaining, 238.535156 MB of memory in use. ENERGY: 2264600 4024.3003 20551.7545 14477.7356 253.8181 -203374.7691 2393.7291 0.0000 0.0000 51948.6366 -109724.7950 298.5495 -161673.4316 -109362.7635 298.7827 -175.2278 -147.1027 759954.6190 11.7813 11.7681 PRESSURE: 2264800 -10.4481 64.0253 85.4637 64.0253 318.602 -290.243 85.464 -290.243 44.3854 GPRESSURE: 2264800 19.143 64.7087 185.425 46.2052 315.69 -233.26 10.1255 -185.535 119.31 PRESSAVG: 2264800 -31.7339 -25.0037 22.9168 -25.0038 47.4169 45.6113 22.9168 45.6114 -26.9125 GPRESSAVG: 2264800 -32.271 -24.46 22.3434 -24.7552 47.5782 47.0204 22.6951 47.29 -26.7111 TIMING: 2264800 CPU: 7150.21, 0.00318213/step Wall: 7150.21, 0.00318213/step, 2.41771 hours remaining, 238.535156 MB of memory in use. ENERGY: 2264800 3943.5163 20617.0468 14377.5394 252.8786 -203963.1361 2743.3026 0.0000 0.0000 52039.2256 -109989.6268 299.0701 -162028.8524 -109632.2140 298.3914 117.5132 151.3812 758483.5454 -3.7432 -3.8013 PRESSURE: 2265000 -94.9774 -35.1105 306.047 -35.1114 -287.552 94.0702 306.047 94.0703 239.367 GPRESSURE: 2265000 -44.8829 -66.7827 351.385 -65.4935 -277.042 86.3617 195.32 25.0009 251.137 PRESSAVG: 2265000 -21.4553 -29.9481 77.6284 -29.9481 29.5222 13.2541 77.6284 13.2542 -17.7436 GPRESSAVG: 2265000 -22.0729 -29.8851 78.6224 -27.9553 29.1142 12.004 76.9771 14.8912 -17.1087 TIMING: 2265000 CPU: 7150.85, 0.00319706/step Wall: 7150.85, 0.00319706/step, 2.42887 hours remaining, 238.535156 MB of memory in use. ENERGY: 2265000 3998.8786 20421.4353 14427.0866 245.0388 -202766.4556 2077.4137 0.0000 0.0000 51837.7352 -109758.8675 297.9122 -161596.6027 -109399.4757 298.2377 -47.7211 -23.5959 762025.8730 -3.2255 -3.3558 PRESSURE: 2265200 3.53593 -78.8175 -119.808 -78.8171 408.003 318.569 -119.808 318.568 452.837 GPRESSURE: 2265200 145.093 -124.969 -135.729 1.42764 351.724 371.883 -42.3379 122.796 469.904 PRESSAVG: 2265200 0.732348 -3.22305 30.0621 -3.223 48.7984 23.6249 30.0621 23.6248 2.19403 GPRESSAVG: 2265200 3.31164 -3.68037 30.6661 -4.40205 48.4724 24.0865 29.4596 20.7379 0.778629 TIMING: 2265200 CPU: 7151.5, 0.00323207/step Wall: 7151.5, 0.00323207/step, 2.4553 hours remaining, 238.535156 MB of memory in use. ENERGY: 2265200 3949.3811 20319.2539 14488.3071 257.7658 -202855.9099 2104.8575 0.0000 0.0000 52033.1653 -109703.1791 299.0353 -161736.3444 -109346.2065 298.3634 288.1251 322.2404 758900.3573 17.2416 17.5209 PRESSURE: 2265400 15.6014 -121.644 -180.711 -121.644 38.5977 1.05188 -180.711 1.05121 784.507 GPRESSURE: 2265400 67.2711 -113.89 -170.593 -134.5 138.7 -101.513 -114.779 65.8826 717.861 PRESSAVG: 2265400 -3.08437 8.6224 -14.6662 8.62241 33.5339 3.19999 -14.6662 3.20004 -14.0008 GPRESSAVG: 2265400 -3.49141 7.73419 -14.2915 10.3896 34.0271 3.50843 -14.8945 5.83099 -14.4049 TIMING: 2265400 CPU: 7152.13, 0.00319447/step Wall: 7152.13, 0.00319447/step, 2.42656 hours remaining, 238.535156 MB of memory in use. ENERGY: 2265400 3931.6533 20518.2248 14492.8901 255.1216 -203238.0707 2408.7005 0.0000 0.0000 52045.4667 -109586.0137 299.1060 -161631.4804 -109232.2875 298.2970 279.5688 307.9441 758172.2643 5.4829 5.3769 PRESSURE: 2265600 -193.734 -73.7432 -105.521 -73.7437 28.7972 148.143 -105.52 148.144 42.3731 GPRESSURE: 2265600 -179.545 -53.2577 -142.635 -81.4975 96.7278 201.766 -36.1943 82.207 50.7327 PRESSAVG: 2265600 -25.1207 -14.4531 7.08891 -14.4531 40.3272 23.6283 7.08888 23.6283 -1.51103 GPRESSAVG: 2265600 -26.5697 -13.069 6.58273 -15.9037 41.6811 23.4567 9.83948 22.5257 -0.800461 TIMING: 2265600 CPU: 7152.77, 0.00318386/step Wall: 7152.77, 0.00318386/step, 2.41832 hours remaining, 238.535156 MB of memory in use. ENERGY: 2265600 3880.3543 20406.6820 14376.2900 243.8234 -202968.1323 2236.4340 0.0000 0.0000 52190.4907 -109634.0579 299.9395 -161824.5485 -109275.5578 298.9343 -40.8546 -10.6949 760496.0663 4.5652 4.7703 PRESSURE: 2265800 155.101 80.5574 -104.058 80.5561 -180.257 -74.8627 -104.058 -74.8624 272.807 GPRESSURE: 2265800 122.275 22.7019 -56.0788 92.1705 -24.6802 -27.9421 -211.541 -90.5828 235.695 PRESSAVG: 2265800 -15.8703 -36.5014 17.2661 -36.5014 -17.6956 4.31286 17.2661 4.31284 -5.14012 GPRESSAVG: 2265800 -15.2736 -38.182 15.3184 -35.8025 -17.7789 2.76165 18.2003 5.63746 -6.15365 TIMING: 2265800 CPU: 7153.42, 0.00324123/step Wall: 7153.42, 0.00324123/step, 2.46171 hours remaining, 238.535156 MB of memory in use. ENERGY: 2265800 3936.6884 20331.4061 14405.0269 250.1923 -202780.3951 2245.1525 0.0000 0.0000 52015.7059 -109596.2229 298.9350 -161611.9288 -109227.1139 299.0302 82.5505 111.0969 760719.0809 -12.9020 -13.0687 PRESSURE: 2266000 432.091 56.5641 157.305 56.5637 201.394 0.65679 157.306 0.657013 375.464 GPRESSURE: 2266000 422.504 40.3988 154.789 15.6902 303.3 85.3059 91.9162 34.0224 364.971 PRESSAVG: 2266000 -9.13659 -17.8146 -1.88756 -17.8146 18.877 66.5534 -1.88754 66.5534 -1.62752 GPRESSAVG: 2266000 -9.2672 -16.4051 -1.18453 -19.2753 18.3301 67.1837 -2.41233 66.2641 -0.987345 TIMING: 2266000 CPU: 7154.06, 0.00321025/step Wall: 7154.06, 0.00321025/step, 2.438 hours remaining, 238.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2266000 3956.3198 20419.5188 14462.0009 250.7286 -202838.4757 2368.8117 0.0000 0.0000 51977.8188 -109403.2770 298.7172 -161381.0958 -109043.4711 299.3167 336.3162 363.5919 761770.6190 2.7043 2.6918 PRESSURE: 2266200 203.535 118.316 245.097 118.316 270.429 229.371 245.097 229.371 -452.484 GPRESSURE: 2266200 247.196 122.789 190.827 167.982 247.625 170.25 220.25 90.5502 -391.113 PRESSAVG: 2266200 8.7687 15.8557 30.5229 15.8557 1.58232 68.1241 30.5229 68.124 6.46506 GPRESSAVG: 2266200 8.18081 15.447 31.0114 18.082 1.25447 68.0904 29.7863 67.6911 6.87747 TIMING: 2266200 CPU: 7154.7, 0.00318512/step Wall: 7154.7, 0.00318512/step, 2.41874 hours remaining, 238.535156 MB of memory in use. ENERGY: 2266200 3981.1245 20461.7052 14488.7961 245.1880 -203435.8042 2748.6368 0.0000 0.0000 52158.1535 -109352.2000 299.7536 -161510.3535 -108998.6585 299.4527 7.1600 34.5696 761830.2894 5.6054 5.4376 PRESSURE: 2266400 175.626 54.2826 119.729 54.2822 88.4781 121.995 119.728 121.996 -16.5271 GPRESSURE: 2266400 195.444 145.159 148.988 54.6289 144.609 79.5783 20.2519 113.877 -22.5291 PRESSAVG: 2266400 9.27813 56.8387 55.298 56.8388 3.37514 14.3955 55.298 14.3955 7.85465 GPRESSAVG: 2266400 10.1123 54.6557 56.0148 57.2603 2.34934 13.1748 54.4374 12.0937 7.5077 TIMING: 2266400 CPU: 7155.35, 0.00323419/step Wall: 7155.35, 0.00323419/step, 2.45583 hours remaining, 238.535156 MB of memory in use. ENERGY: 2266400 4003.3502 20474.9510 14442.6796 264.0751 -203196.8349 2396.7196 0.0000 0.0000 52363.9959 -109251.0635 300.9366 -161615.0594 -108888.7369 300.0522 82.5256 105.8415 760492.8848 6.8360 6.6564 PRESSURE: 2266600 -77.5537 90.5924 -179.757 90.5926 -223.277 85.649 -179.758 85.6484 276.29 GPRESSURE: 2266600 73.8542 110.629 -282.221 161.516 -201.846 77.8746 0.941759 168.168 173.788 PRESSAVG: 2266600 3.23963 32.2574 31.0987 32.2573 -3.5423 27.9259 31.0987 27.9259 -16.3832 GPRESSAVG: 2266600 4.48558 33.6609 29.3159 33.4511 -3.50956 28.2737 32.7436 30.3451 -17.3798 TIMING: 2266600 CPU: 7155.99, 0.00324056/step Wall: 7155.99, 0.00324056/step, 2.46048 hours remaining, 238.535156 MB of memory in use. ENERGY: 2266600 4007.7852 20402.5186 14454.5848 253.4706 -202779.9234 2198.5953 0.0000 0.0000 52355.5561 -109107.4127 300.8881 -161462.9688 -108732.0262 299.9207 -8.1802 15.2655 760006.3420 -5.5620 -5.4679 PRESSURE: 2266800 -58.0915 54.6772 -48.0652 54.6769 260.044 -1.30706 -48.0644 -1.30652 -85.8008 GPRESSURE: 2266800 -38.2889 215.385 -44.92 15.0224 378.363 -10.9109 105.19 37.7036 -146.417 PRESSAVG: 2266800 -46.2549 4.26689 23.1316 4.26689 49.4666 35.7921 23.1316 35.7921 -21.6353 GPRESSAVG: 2266800 -47.0281 5.60454 24.019 2.29385 50.7988 36.9295 23.3214 35.4699 -21.3501 TIMING: 2266800 CPU: 7156.63, 0.00319455/step Wall: 7156.63, 0.00319454/step, 2.42537 hours remaining, 238.535156 MB of memory in use. ENERGY: 2266800 3976.7701 20501.3129 14408.7629 232.9939 -203213.1480 2503.9663 0.0000 0.0000 52391.8111 -109197.5308 301.0965 -161589.3419 -108835.8278 300.4651 38.7174 64.5527 760546.0290 -6.1412 -5.8598 PRESSURE: 2267000 285.871 21.0991 -64.9635 21.0996 231.231 248.984 -64.9648 248.983 -166.45 GPRESSURE: 2267000 302.759 -62.2065 -109.397 36.7002 195.251 238.134 -94.5824 223.227 -67.5635 PRESSAVG: 2267000 -45.4415 35.146 -5.91804 35.1459 33.2808 35.7547 -5.918 35.7548 1.80593 GPRESSAVG: 2267000 -44.7701 36.1918 -5.95151 34.5853 32.4722 35.9358 -7.33779 34.0081 2.05188 TIMING: 2267000 CPU: 7157.26, 0.00316172/step Wall: 7157.26, 0.00316172/step, 2.40027 hours remaining, 238.535156 MB of memory in use. ENERGY: 2267000 3924.2157 20498.7543 14456.8755 267.2148 -203589.4153 2616.9075 0.0000 0.0000 52405.4729 -109419.9745 301.1750 -161825.4475 -109046.6909 300.1207 116.8839 143.4822 759837.2410 -3.4516 -3.4154 PRESSURE: 2267200 459.886 -28.3092 127.26 -28.3089 255.118 226.246 127.26 226.246 94.7657 GPRESSURE: 2267200 488.667 47.6405 114.123 -178.542 225.914 188.146 36.0086 220.988 186.831 PRESSAVG: 2267200 32.7794 -7.542 -26.7739 -7.54203 -13.3655 95.9828 -26.7739 95.9828 -3.06136 GPRESSAVG: 2267200 32.8543 -6.92569 -26.3446 -9.2882 -14.2427 96.1772 -26.2628 97.7964 -2.22714 TIMING: 2267200 CPU: 7157.9, 0.00318323/step Wall: 7157.9, 0.00318323/step, 2.41643 hours remaining, 238.535156 MB of memory in use. ENERGY: 2267200 4020.7161 20690.6781 14447.7178 268.5675 -203088.5977 2598.0384 0.0000 0.0000 52038.0993 -109024.7805 299.0637 -161062.8798 -108667.6942 300.3771 269.9231 300.4709 758693.1762 5.4509 5.4615 PRESSURE: 2267400 81.5084 217.033 -148.018 217.032 -33.0162 -198.31 -148.017 -198.31 -158.651 GPRESSURE: 2267400 125.463 45.1291 -96.5302 228.577 -80.1245 -203.326 -30.5495 -36.9583 -59.7485 PRESSAVG: 2267400 -22.6825 30.0872 -21.5163 30.0872 20.3044 75.4475 -21.5163 75.4474 7.97025 GPRESSAVG: 2267400 -21.8609 27.5083 -20.9394 33.5552 20.105 75.2009 -20.8172 75.1364 7.30623 TIMING: 2267400 CPU: 7158.55, 0.00322105/step Wall: 7158.55, 0.00322104/step, 2.44495 hours remaining, 238.535156 MB of memory in use. ENERGY: 2267400 4019.0943 20612.7192 14389.8079 232.2830 -203523.2451 2766.5497 0.0000 0.0000 52384.8245 -109117.9665 301.0563 -161502.7909 -108742.7201 300.5206 -36.7197 -4.8034 759341.5970 1.8641 1.8501 PRESSURE: 2267600 -2.87938 31.9826 -12.1714 31.9825 -267.061 177.969 -12.1704 177.968 -383.177 GPRESSURE: 2267600 -38.7378 80.6674 -2.7246 -25.7101 -185.401 102.114 -40.153 158.091 -343.116 PRESSAVG: 2267600 70.8888 71.0235 6.45244 71.0235 -22.1595 75.4308 6.45237 75.4308 -21.6624 GPRESSAVG: 2267600 69.8542 70.8404 4.25878 70.596 -20.4066 76.4008 5.63957 74.2207 -22.2398 TIMING: 2267600 CPU: 7159.19, 0.00322045/step Wall: 7159.19, 0.00322045/step, 2.44432 hours remaining, 238.535156 MB of memory in use. ENERGY: 2267600 4052.1686 20573.9196 14444.7859 231.3507 -203200.7340 2378.9026 0.0000 0.0000 52226.3333 -109293.2735 300.1455 -161519.6067 -108928.7042 300.7002 -217.7059 -189.0849 758356.2441 9.0223 9.0693 PRESSURE: 2267800 -140.734 -13.6523 -76.039 -13.6526 43.4872 -142.98 -76.0386 -142.979 -35.5083 GPRESSURE: 2267800 -131.44 103.95 -106.478 110.253 111.513 -98.5324 -10.3648 -127.747 -13.6803 PRESSAVG: 2267800 13.7564 28.6902 -5.96819 28.6901 16.3455 10.556 -5.96815 10.5561 -33.3429 GPRESSAVG: 2267800 13.1242 29.7486 -3.6332 30.851 15.5187 8.63008 -6.38071 11.5407 -32.2833 TIMING: 2267800 CPU: 7159.83, 0.00321424/step Wall: 7159.83, 0.00321424/step, 2.43943 hours remaining, 238.535156 MB of memory in use. ENERGY: 2267800 3973.3220 20445.6962 14446.7495 247.6566 -203071.9433 2361.5239 0.0000 0.0000 52009.2567 -109587.7384 298.8979 -161596.9952 -109223.0926 299.7343 -44.2517 -11.2024 759862.5628 -1.0803 -1.2135 PRESSURE: 2268000 273.294 5.28286 81.4134 5.28355 208.771 -55.6322 81.414 -55.6327 566.707 GPRESSURE: 2268000 290.366 -21.3384 22.4147 41.9758 296.484 -50.7837 102.464 -3.97658 557.478 PRESSAVG: 2268000 4.05138 5.40964 -33.9832 5.40964 3.18839 17.8836 -33.9832 17.8836 20.187 GPRESSAVG: 2268000 3.63403 7.21559 -34.5097 3.891 4.53378 17.5084 -32.6727 22.2731 19.5083 TIMING: 2268000 CPU: 7160.48, 0.00322695/step Wall: 7160.48, 0.00322695/step, 2.4489 hours remaining, 238.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2268000 3903.3247 20569.6325 14457.2706 248.5519 -203675.8705 2606.1769 0.0000 0.0000 52158.7657 -109732.1482 299.7571 -161890.9139 -109375.8401 299.4377 349.5905 381.4425 757942.6776 9.1423 9.2254 PRESSURE: 2268200 -273.715 -67.643 -73.6536 -67.6434 -107.538 174.743 -73.6523 174.742 -388.999 GPRESSURE: 2268200 -307.633 51.435 107.854 -23.8321 -45.2672 117.749 -104.171 87.3887 -319.852 PRESSAVG: 2268200 -10.6732 44.5282 12.4535 44.5282 47.6555 26.2934 12.4535 26.2933 29.7694 GPRESSAVG: 2268200 -10.7317 44.0565 9.33097 42.5191 47.6251 27.6349 12.7295 20.7621 29.9517 TIMING: 2268200 CPU: 7161.12, 0.0032183/step Wall: 7161.12, 0.0032183/step, 2.44215 hours remaining, 238.535156 MB of memory in use. ENERGY: 2268200 3980.4808 20519.9761 14431.5999 254.9974 -202984.6974 2332.6578 0.0000 0.0000 51942.1782 -109522.8072 298.5124 -161464.9854 -109145.4786 299.0628 -256.7506 -224.2506 760683.0567 22.2506 22.2817 LDB: ============= START OF LOAD BALANCING ============== 7173.52 LDB: ============== END OF LOAD BALANCING =============== 7173.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7173.53 LDB: ============= START OF LOAD BALANCING ============== 7173.84 LDB: Largest compute 7034 load 0.034950 is 17.8% of average load 0.195944 LDB: Average compute 0.004400 is 2.2% of average load 0.195944 LDB: TIME 7173.85 LOAD: AVG 0.195944 MAX 0.218882 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.109 MB LDB: TIME 7173.85 LOAD: AVG 0.195944 MAX 0.218882 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.312 MB LDB: TIME 7173.85 LOAD: AVG 0.195944 MAX 0.217742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.312 MB LDB: ============== END OF LOAD BALANCING =============== 7173.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7173.85 PRESSURE: 2268400 -140.063 7.68736 57.4093 7.68738 -148.189 -71.4265 57.4104 -71.4262 -502.559 GPRESSURE: 2268400 -76.1391 112.996 74.7321 114.149 -139.451 -133.182 -14.1493 83.4404 -489.412 PRESSAVG: 2268400 13.6626 30.1074 -19.2831 30.1074 18.5583 63.7371 -19.2831 63.7371 3.67269 GPRESSAVG: 2268400 14.6521 31.5396 -17.3193 30.2989 17.9709 62.0962 -20.7045 67.0154 3.6544 TIMING: 2268400 CPU: 7161.77, 0.00325171/step Wall: 7161.77, 0.00325171/step, 2.46733 hours remaining, 237.699219 MB of memory in use. ENERGY: 2268400 3987.4244 20587.6621 14456.3299 244.9723 -203194.8540 2341.3220 0.0000 0.0000 52069.2601 -109507.8832 299.2428 -161577.1434 -109152.9123 299.6905 -263.6034 -235.0006 760372.3971 11.9645 12.0925 PRESSURE: 2268600 126.113 -122.011 -71.9296 -122.011 -80.5176 -27.9916 -71.9302 -27.9917 -68.5256 GPRESSURE: 2268600 69.7689 -107.155 -20.9139 -12.7765 12.1693 -78.1794 -64.7039 69.4218 -21.4348 PRESSAVG: 2268600 3.13071 23.1364 -4.7635 23.1364 5.90328 63.4537 -4.76351 63.4537 27.7623 GPRESSAVG: 2268600 3.02441 22.045 -5.76215 24.4973 6.81724 65.9626 -3.50385 60.6125 27.4041 TIMING: 2268600 CPU: 7162.41, 0.00317925/step Wall: 7162.41, 0.00317925/step, 2.41217 hours remaining, 237.699219 MB of memory in use. ENERGY: 2268600 3902.4608 20474.4508 14422.8876 234.5648 -203263.3143 2477.7412 0.0000 0.0000 52262.6828 -109488.5262 300.3544 -161751.2091 -109113.0566 299.8322 -7.6435 20.1678 760864.6603 12.2654 12.4153 PRESSURE: 2268800 193.793 -67.1042 -95.0711 -67.1032 173.972 23.6254 -95.0714 23.6254 224.515 GPRESSURE: 2268800 237.085 -59.4189 -89.802 -161.999 202.667 66.8742 -150.039 45.9744 231.527 PRESSAVG: 2268800 36.5173 9.53422 11.182 9.53423 -14.8771 15.4844 11.182 15.4844 -14.1454 GPRESSAVG: 2268800 36.8205 6.66265 12.9003 9.25661 -14.8741 12.753 10.3023 17.9862 -14.3445 TIMING: 2268800 CPU: 7163.06, 0.00325322/step Wall: 7163.06, 0.00325322/step, 2.46811 hours remaining, 237.699219 MB of memory in use. ENERGY: 2268800 3980.0175 20640.0106 14409.6564 242.8814 -203243.3505 2570.3287 0.0000 0.0000 51805.1677 -109595.2883 297.7250 -161400.4560 -109245.7096 298.9617 197.4268 223.7598 758898.5722 2.4983 2.5340 PRESSURE: 2269000 -268.151 -164.885 -3.84924 -164.885 172.001 83.3205 -3.84923 83.32 -380.613 GPRESSURE: 2269000 -249.962 -81.1389 -18.0135 -230.438 202.064 121.83 -37.8891 146.967 -341.399 PRESSAVG: 2269000 -72.5836 18.4239 -23.9383 18.424 53.3708 -17.9023 -23.9383 -17.9024 -25.1997 GPRESSAVG: 2269000 -72.1373 20.2789 -25.3505 18.0196 51.5366 -16.239 -23.0483 -17.6017 -23.8761 TIMING: 2269000 CPU: 7163.71, 0.00323669/step Wall: 7163.71, 0.00323669/step, 2.45539 hours remaining, 237.699219 MB of memory in use. ENERGY: 2269000 4011.4759 20424.3574 14446.9933 256.9008 -203273.6283 2286.4895 0.0000 0.0000 52294.4316 -109552.9798 300.5368 -161847.4114 -109178.8805 299.2850 -158.9213 -129.7660 759933.6346 -14.8042 -14.8256 PRESSURE: 2269200 -134.622 60.5421 279.366 60.5423 190.511 -247.566 279.366 -247.566 43.2222 GPRESSURE: 2269200 -34.9056 142.991 197.685 -19.0894 148.106 -265.052 248.74 -357.261 76.9815 PRESSAVG: 2269200 -35.4959 -10.2086 26.4266 -10.2086 50.3367 14.8832 26.4266 14.8831 4.1259 GPRESSAVG: 2269200 -35.8735 -11.1062 27.6245 -9.48962 50.0198 15.9241 25.3204 12.6267 4.64588 TIMING: 2269200 CPU: 7164.35, 0.00323535/step Wall: 7164.35, 0.00323535/step, 2.45419 hours remaining, 237.699219 MB of memory in use. ENERGY: 2269200 3867.6422 20611.7463 14445.9717 244.7070 -202606.7505 2084.4898 0.0000 0.0000 51748.2758 -109603.9177 297.3981 -161352.1935 -109250.0738 299.0340 33.0371 63.3940 760321.1946 6.3222 6.2641 PRESSURE: 2269400 63.4017 98.993 -3.40578 98.9934 -276.584 75.5816 -3.40612 75.5821 -50.3944 GPRESSURE: 2269400 175.429 35.2531 15.1269 110.575 -219.372 127.018 147 14.7517 -128.182 PRESSAVG: 2269400 -41.3749 -76.0893 -28.8093 -76.0893 32.6891 -33.8741 -28.8093 -33.8742 7.09804 GPRESSAVG: 2269400 -41.7938 -73.0209 -28.6808 -77.3538 33.2561 -35.5667 -27.2452 -31.755 6.8897 TIMING: 2269400 CPU: 7165, 0.00322685/step Wall: 7165, 0.00322685/step, 2.44757 hours remaining, 237.699219 MB of memory in use. ENERGY: 2269400 3889.9728 20485.0706 14424.5928 237.6688 -203364.7893 2408.2126 0.0000 0.0000 52275.7954 -109643.4763 300.4297 -161919.2717 -109266.1179 299.1163 -87.8591 -57.3748 761985.8589 -0.5293 -0.5493 PRESSURE: 2269600 66.9982 -45.4334 22.6509 -45.4341 -444.54 120.585 22.6514 120.585 -244.664 GPRESSURE: 2269600 23.9919 -27.5344 -45.8576 -87.1409 -365.695 127.288 55.8185 196.179 -189.76 PRESSAVG: 2269600 37.6398 6.31202 -25.9378 6.31204 -37.8563 4.339 -25.9377 4.33891 -3.16163 GPRESSAVG: 2269600 38.6825 4.37313 -25.9468 4.51815 -38.1363 6.52871 -26.0664 3.80384 -3.4955 TIMING: 2269600 CPU: 7165.65, 0.00324435/step Wall: 7165.65, 0.00324435/step, 2.46066 hours remaining, 237.699219 MB of memory in use. ENERGY: 2269600 4034.5471 20602.0809 14502.9434 250.6339 -203404.6246 2394.7015 0.0000 0.0000 51990.8542 -109628.8637 298.7922 -161619.7179 -109274.4185 299.2934 -207.4020 -177.1541 761900.1592 -1.1260 -0.9831 PRESSURE: 2269800 89.0801 -36.7146 -110.92 -36.7147 222.57 217.045 -110.919 217.046 -123.26 GPRESSURE: 2269800 105.848 -24.5775 -98.2252 -93.96 309.56 222.41 -179.091 171.204 -145.71 PRESSAVG: 2269800 11.3422 -3.95877 -54.7813 -3.9587 -49.1451 -2.63491 -54.7812 -2.63491 -18.6875 GPRESSAVG: 2269800 11.1741 -5.54875 -56.175 0.139795 -47.5459 -4.19081 -55.5299 -1.9616 -19.6697 TIMING: 2269800 CPU: 7166.29, 0.00322657/step Wall: 7166.29, 0.00322657/step, 2.447 hours remaining, 237.699219 MB of memory in use. ENERGY: 2269800 4035.9633 20590.7269 14489.8345 258.2894 -203754.9487 2804.7786 0.0000 0.0000 51890.7412 -109684.6147 298.2168 -161575.3559 -109316.3085 298.7935 62.7965 89.8992 760858.7953 -18.8301 -18.6805 PRESSURE: 2270000 -242.267 -182.513 -41.8506 -182.513 -353.778 241.698 -41.8506 241.698 100.969 GPRESSURE: 2270000 -222.069 -202.553 -78.6843 -185.503 -270.271 218.759 5.33292 171.443 104.402 PRESSAVG: 2270000 74.7399 19.8976 -24.8838 19.8977 -38.3255 32.4451 -24.8838 32.4452 -14.5774 GPRESSAVG: 2270000 73.0099 18.7802 -23.3682 19.7959 -37.6725 31.5531 -24.1997 30.4299 -13.8691 TIMING: 2270000 CPU: 7166.94, 0.00323054/step Wall: 7166.94, 0.00323054/step, 2.44983 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2270000 3939.7916 20439.5558 14488.5481 244.1691 -203325.7816 2701.5546 0.0000 0.0000 51778.0345 -109734.1280 297.5691 -161512.1625 -109371.6590 298.6445 -165.0254 -129.3127 763361.7120 7.2790 7.1561 PRESSURE: 2270200 -20.3765 42.0532 14.5797 42.0541 13.5377 -218.379 14.5807 -218.379 125.257 GPRESSURE: 2270200 69.8468 -9.88128 51.4742 63.0499 -48.6547 -175.092 69.6961 -264.921 188.156 PRESSAVG: 2270200 64.1704 21.0914 5.61023 21.0914 -82.0288 24.3567 5.61031 24.3568 -36.0103 GPRESSAVG: 2270200 64.5614 23.392 4.87225 20.1319 -83.1719 27.1944 5.2209 25.2342 -34.939 TIMING: 2270200 CPU: 7167.59, 0.00323649/step Wall: 7167.59, 0.00323649/step, 2.45416 hours remaining, 237.699219 MB of memory in use. ENERGY: 2270200 3996.9232 20492.0496 14387.3084 250.8692 -203325.3410 2439.6966 0.0000 0.0000 52020.6163 -109737.8778 298.9632 -161758.4941 -109379.7258 298.7377 39.4726 69.7828 762674.4487 -17.9562 -17.8498 PRESSURE: 2270400 -341.23 -30.6102 173.791 -30.6101 -366.4 156.953 173.791 156.954 -267.054 GPRESSURE: 2270400 -330.225 -102.872 142.64 -107.44 -304.889 116.081 144.226 303.865 -256.901 PRESSAVG: 2270400 37.0254 -10.9442 -19.7154 -10.9441 -20.9632 -12.8259 -19.7154 -12.8259 8.04743 GPRESSAVG: 2270400 38.3896 -11.6454 -20.1488 -10.5389 -21.8106 -13.8344 -19.6402 -12.7921 7.10683 TIMING: 2270400 CPU: 7168.23, 0.00322344/step Wall: 7168.23, 0.00322343/step, 2.44408 hours remaining, 237.699219 MB of memory in use. ENERGY: 2270400 3984.9610 20426.9304 14484.7384 243.5272 -203158.2592 2305.3858 0.0000 0.0000 51931.4685 -109781.2479 298.4509 -161712.7165 -109418.6380 298.4236 -324.8944 -297.3384 761958.5823 8.0365 7.8953 PRESSURE: 2270600 84.1696 -79.4787 155.233 -79.4788 -80.4547 -109.928 155.234 -109.927 60.3008 GPRESSURE: 2270600 93.938 -52.9453 113.238 -102.882 46.3584 -112.398 286.385 -126.862 1.46873 PRESSAVG: 2270600 50.6854 -22.3393 -2.55389 -22.3393 -27.4413 -37.7564 -2.55387 -37.7564 4.0887 GPRESSAVG: 2270600 50.8588 -23.8844 -1.5154 -22.3374 -27.3415 -38.205 -1.47238 -38.6418 3.8333 TIMING: 2270600 CPU: 7168.87, 0.00320652/step Wall: 7168.87, 0.00320652/step, 2.43108 hours remaining, 237.699219 MB of memory in use. ENERGY: 2270600 3942.3169 20505.6502 14486.4850 232.4301 -203408.2211 2463.1418 0.0000 0.0000 52137.2629 -109640.9343 299.6336 -161778.1972 -109284.4777 298.7953 21.3386 47.2551 760117.4676 9.1109 9.1169 PRESSURE: 2270800 87.5876 298.448 294.756 298.449 -148.821 -79.4377 294.757 -79.4375 -334.687 GPRESSURE: 2270800 83.8269 226.315 204.636 221.155 -38.9863 -88.5294 298.91 -87.1952 -351.377 PRESSAVG: 2270800 23.4051 30.2535 74.6691 30.2535 46.357 10.0478 74.6691 10.0477 -7.83619 GPRESSAVG: 2270800 22.0899 32.9681 73.1332 26.948 48.1383 10.5374 73.6413 10.1787 -7.78351 TIMING: 2270800 CPU: 7169.52, 0.00323812/step Wall: 7169.52, 0.00323812/step, 2.45485 hours remaining, 237.699219 MB of memory in use. ENERGY: 2270800 3891.2579 20436.7650 14470.4198 248.9254 -203231.6076 2510.1365 0.0000 0.0000 52039.2348 -109634.8682 299.0702 -161674.1031 -109269.4427 299.3244 -131.9735 -102.1789 760866.6774 20.6420 20.8149 PRESSURE: 2271000 -15.3117 -102.497 -164.058 -102.498 59.2029 -56.79 -164.058 -56.7886 -65.0246 GPRESSURE: 2271000 20.2954 -126.947 -156.136 -192.856 114.481 -124.849 -159.201 -92.9559 -57.3756 PRESSAVG: 2271000 -28.8694 19.6081 5.91655 19.6081 -3.3402 7.06793 5.91659 7.06796 13.456 GPRESSAVG: 2271000 -27.9342 16.4631 7.44571 23.4929 -4.17636 7.25065 4.50055 7.98758 13.7867 TIMING: 2271000 CPU: 7170.17, 0.00324096/step Wall: 7170.17, 0.00324096/step, 2.45683 hours remaining, 237.699219 MB of memory in use. ENERGY: 2271000 3953.9937 20370.3896 14488.9292 239.1178 -203170.0915 2304.9308 0.0000 0.0000 52099.4297 -109713.3006 299.4161 -161812.7303 -109355.3010 298.7147 -7.0445 25.8004 760917.7643 -6.2512 -6.1080 PRESSURE: 2271200 0.459183 -31.1683 -109.24 -31.1688 -187.187 -113.001 -109.24 -113.001 316.468 GPRESSURE: 2271200 61.5157 -6.48872 -75.117 55.7553 -196.569 -60.3989 62.6823 -29.6939 351.118 PRESSAVG: 2271200 50.489 9.51128 -14.446 9.51125 -16.8611 -12.783 -14.446 -12.783 -0.154943 GPRESSAVG: 2271200 50.6249 11.1997 -14.6849 10.3006 -17.1743 -13.3184 -13.1331 -13.5066 -0.288828 TIMING: 2271200 CPU: 7170.81, 0.00320995/step Wall: 7170.81, 0.00320995/step, 2.43314 hours remaining, 237.699219 MB of memory in use. ENERGY: 2271200 3955.0066 20553.7731 14371.4127 253.2235 -203415.2654 2538.8396 0.0000 0.0000 52081.9983 -109661.0116 299.3160 -161743.0099 -109308.3853 298.6664 43.2468 72.0213 759510.4710 11.1576 11.0539 PRESSURE: 2271400 176.724 -161.736 -124.771 -161.737 113.854 60.0094 -124.771 60.0083 -411.87 GPRESSURE: 2271400 239.83 -240.13 -130.379 -153.65 180.956 32.2708 -154.883 48.7447 -443.9 PRESSAVG: 2271400 73.0199 4.45373 14.0358 4.45365 -84.7105 11.7419 14.0357 11.7419 0.100918 GPRESSAVG: 2271400 72.9195 3.75542 13.1433 2.04817 -84.7809 10.7585 14.1941 12.7852 0.508085 TIMING: 2271400 CPU: 7171.46, 0.003246/step Wall: 7171.46, 0.003246/step, 2.46028 hours remaining, 237.699219 MB of memory in use. ENERGY: 2271400 3939.2743 20380.5348 14474.8133 247.6063 -203558.5770 2749.5144 0.0000 0.0000 52095.3743 -109671.4595 299.3928 -161766.8339 -109300.9376 298.9270 -40.4309 -7.7049 759977.9324 -3.8632 -3.7844 PRESSURE: 2271600 47.9087 -36.1837 41.7579 -36.1838 -215.671 258.905 41.7582 258.904 105.012 GPRESSURE: 2271600 18.911 -75.4055 116.462 -8.56021 -104.62 161.701 125.293 233.154 99.5436 PRESSAVG: 2271600 -19.0649 -34.7801 21.9658 -34.7801 -19.9589 5.57096 21.9658 5.57085 -8.38272 GPRESSAVG: 2271600 -19.5213 -34.2453 23.4018 -35.7042 -19.5786 8.06503 19.0973 4.60599 -8.20182 TIMING: 2271600 CPU: 7172.1, 0.0032093/step Wall: 7172.1, 0.0032093/step, 2.43229 hours remaining, 237.699219 MB of memory in use. ENERGY: 2271600 3897.3887 20576.0868 14524.7063 250.5154 -203147.5286 2316.6191 0.0000 0.0000 51973.7617 -109608.4506 298.6939 -161582.2123 -109248.5470 298.9055 -20.9168 4.6114 760185.0663 -15.8021 -15.7673 PRESSURE: 2271800 147.896 -236.482 322.372 -236.482 231.122 -77.8608 322.372 -77.8622 156.855 GPRESSURE: 2271800 139.823 -133.707 354.009 -85.5401 304.228 -35.9181 412.692 -48.6715 182.54 PRESSAVG: 2271800 36.7368 5.00153 38.0165 5.00153 -92.3046 0.847367 38.0164 0.847392 -18.7359 GPRESSAVG: 2271800 36.2319 4.50449 36.2745 9.09333 -91.6144 0.297586 41.2212 1.55819 -18.756 TIMING: 2271800 CPU: 7172.75, 0.00322545/step Wall: 7172.75, 0.00322545/step, 2.44435 hours remaining, 237.699219 MB of memory in use. ENERGY: 2271800 4010.7970 20496.6808 14540.1513 235.1559 -203436.9631 2585.7009 0.0000 0.0000 51931.7214 -109636.7558 298.4523 -161568.4772 -109276.8459 298.7836 178.6240 208.8639 759334.6438 -24.7679 -24.7128 PRESSURE: 2272000 -67.3267 85.5776 48.5457 85.5778 -17.3343 -198.761 48.5453 -198.762 21.9614 GPRESSURE: 2272000 27.5445 29.2273 102.78 62.3122 -0.418279 -222.882 -7.55903 -47.7966 -3.56876 PRESSAVG: 2272000 43.4897 1.17177 45.6021 1.17178 -4.88976 -23.817 45.6021 -23.8171 8.17776 GPRESSAVG: 2272000 44.7628 2.99823 46.2392 -1.40745 -6.4135 -25.7041 44.4701 -21.2679 8.56913 TIMING: 2272000 CPU: 7173.39, 0.00320574/step Wall: 7173.39, 0.00320574/step, 2.42924 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2272000 3976.6883 20501.4437 14421.8385 256.3940 -203482.9983 2627.6048 0.0000 0.0000 52038.9131 -109660.1158 299.0683 -161699.0290 -109300.0803 298.6314 -20.8998 7.8525 760623.0364 15.5926 15.6395 PRESSURE: 2272200 -26.6885 213.786 -192.799 213.786 29.7975 88.7137 -192.8 88.7127 -51.4682 GPRESSURE: 2272200 -26.6557 171.059 -225.294 231.747 32.3925 161.148 -187.785 66.4492 -5.31675 PRESSAVG: 2272200 21.8867 44.5024 17.1624 44.5024 -44.8544 24.6041 17.1624 24.6041 4.1683 GPRESSAVG: 2272200 22.3049 45.1201 15.6078 42.1792 -45.4518 25.8898 16.6926 22.3041 3.89302 TIMING: 2272200 CPU: 7174.03, 0.00320979/step Wall: 7174.03, 0.00320979/step, 2.43213 hours remaining, 237.699219 MB of memory in use. ENERGY: 2272200 3919.2059 20571.3583 14484.2050 244.4018 -203171.9500 2397.3153 0.0000 0.0000 51897.0671 -109658.3966 298.2532 -161555.4637 -109306.2640 299.0665 -16.1197 0.1400 761155.9028 -6.2664 -6.4180 LDB: ============= START OF LOAD BALANCING ============== 7186.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7186.44 LDB: =============== DONE WITH MIGRATION ================ 7186.44 LDB: ============= START OF LOAD BALANCING ============== 7186.77 LDB: Largest compute 7034 load 0.037997 is 19.4% of average load 0.195901 LDB: Average compute 0.004403 is 2.2% of average load 0.195901 LDB: TIME 7186.77 LOAD: AVG 0.195901 MAX 0.216394 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 7186.77 LOAD: AVG 0.195901 MAX 0.216394 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: TIME 7186.77 LOAD: AVG 0.195901 MAX 0.216394 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: ============== END OF LOAD BALANCING =============== 7186.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7186.78 PRESSURE: 2272400 444.853 56.8705 -102.201 56.8713 47.0183 89.2856 -102.202 89.2862 -93.2721 GPRESSURE: 2272400 427.08 18.1261 -68.9352 88.8206 156.363 156.595 56.8652 -48.6172 -84.0354 PRESSAVG: 2272400 78.5498 -16.3382 -22.5216 -16.3382 -103.471 14.454 -22.5216 14.454 -7.87386 GPRESSAVG: 2272400 76.189 -17.9411 -21.2412 -15.0666 -101.595 14.0325 -21.0031 14.0188 -8.09832 TIMING: 2272400 CPU: 7174.7, 0.00333377/step Wall: 7174.7, 0.00333377/step, 2.52589 hours remaining, 237.757812 MB of memory in use. ENERGY: 2272400 3997.5847 20516.5938 14444.3333 226.9492 -203500.5703 2603.4712 0.0000 0.0000 52033.5826 -109678.0555 299.0377 -161711.6381 -109317.9773 298.4349 132.8663 166.4691 761876.9853 -10.9318 -11.1682 PRESSURE: 2272600 69.5503 -40.8651 -72.3506 -40.8644 -16.1933 -175.299 -72.3512 -175.299 114.874 GPRESSURE: 2272600 80.8137 -41.1926 18.3686 23.294 35.8382 -195.947 -207.295 -151.475 122.583 PRESSAVG: 2272600 16.8553 -21.953 -53.0214 -21.953 -20.2689 60.8187 -53.0214 60.8186 -5.63907 GPRESSAVG: 2272600 16.9368 -25.1467 -53.8236 -21.153 -20.9409 59.8044 -53.7531 60.1335 -4.50177 TIMING: 2272600 CPU: 7175.35, 0.00326173/step Wall: 7175.35, 0.00326173/step, 2.47112 hours remaining, 237.757812 MB of memory in use. ENERGY: 2272600 4049.4243 20596.4602 14512.2533 247.9132 -203526.0371 2647.3224 0.0000 0.0000 51941.7014 -109530.9623 298.5097 -161472.6638 -109169.0311 298.8681 56.0770 79.7451 760646.2624 -3.0176 -2.8353 PRESSURE: 2272800 -67.4617 -76.781 -136.929 -76.7817 -284.336 108.191 -136.93 108.191 -101.331 GPRESSURE: 2272800 47.4575 -184.834 -134.648 -141.147 -314.939 45.6661 -113.634 122.745 -92.5473 PRESSAVG: 2272800 47.2986 -84.2869 -33.5614 -84.2869 -61.8457 28.0361 -33.5614 28.036 -11.9639 GPRESSAVG: 2272800 48.9108 -83.407 -32.3356 -85.1022 -61.2622 29.0144 -34.7937 30.3244 -14.0264 TIMING: 2272800 CPU: 7176.01, 0.00328767/step Wall: 7176.01, 0.00328767/step, 2.4906 hours remaining, 237.757812 MB of memory in use. ENERGY: 2272800 3975.2974 20640.9418 14538.1447 253.8235 -203241.0794 2363.2666 0.0000 0.0000 52011.6112 -109457.9942 298.9114 -161469.6054 -109098.5999 298.9776 -151.0427 -120.0095 760431.7698 -8.8370 -8.7926 PRESSURE: 2273000 41.7157 104.222 -81.3315 104.222 -249.168 -111.368 -81.332 -111.368 0.313923 GPRESSURE: 2273000 -25.3047 119.361 -135.211 58.2358 -123.503 -81.2331 34.4186 -88.9513 44.1597 PRESSAVG: 2273000 65.4236 -23.3989 -50.9855 -23.3988 -23.4282 63.7022 -50.9855 63.7023 -9.1201 GPRESSAVG: 2273000 64.5567 -23.5385 -52.3464 -20.8548 -23.8474 63.9538 -48.3292 63.7491 -7.74048 TIMING: 2273000 CPU: 7176.65, 0.00324531/step Wall: 7176.65, 0.00324531/step, 2.45832 hours remaining, 237.757812 MB of memory in use. ENERGY: 2273000 3979.4056 20568.6373 14464.4988 233.2296 -203242.6532 2273.4228 0.0000 0.0000 52180.8236 -109542.6355 299.8839 -161723.4591 -109177.7759 298.9206 -69.0460 -34.8826 759424.1748 10.9584 10.9896 PRESSURE: 2273200 -243.26 148.48 88.8869 148.48 -308.641 390.937 88.8863 390.937 -373.619 GPRESSURE: 2273200 -108.26 -83.2436 94.0487 94.0017 -333.419 393.04 166.127 280.101 -398.527 PRESSAVG: 2273200 37.8454 -45.1344 72.5188 -45.1344 -54.103 40.1172 72.5188 40.1172 -19.7358 GPRESSAVG: 2273200 37.9255 -45.7974 72.2162 -46.5089 -54.1194 39.292 71.353 40.2564 -20.0615 TIMING: 2273200 CPU: 7177.3, 0.00325339/step Wall: 7177.3, 0.00325339/step, 2.46427 hours remaining, 237.757812 MB of memory in use. ENERGY: 2273200 4066.1767 20545.1902 14510.1847 261.5821 -203203.5567 2260.0825 0.0000 0.0000 52091.7896 -109468.5508 299.3722 -161560.3405 -109109.2578 299.2216 -308.5066 -280.0687 761731.3191 -11.9978 -12.0851 PRESSURE: 2273400 -168.401 93.1987 -76.8909 93.1978 312.044 40.0791 -76.8904 40.0796 251.986 GPRESSURE: 2273400 -118.156 68.1314 5.32551 129.133 299.987 113.71 -125.593 -74.5282 309.719 PRESSAVG: 2273400 -25.3229 -29.1627 -11.1559 -29.1627 -63.3868 22.2825 -11.156 22.2825 -14.0813 GPRESSAVG: 2273400 -25.7298 -28.945 -10.0148 -28.3874 -63.1709 23.3028 -11.4254 20.2812 -13.0167 TIMING: 2273400 CPU: 7177.96, 0.00325206/step Wall: 7177.96, 0.00325206/step, 2.46307 hours remaining, 237.757812 MB of memory in use. ENERGY: 2273400 3989.6498 20466.2054 14493.6434 244.9158 -203182.3444 2500.5907 0.0000 0.0000 52147.7025 -109339.6368 299.6936 -161487.3392 -108967.2238 299.4436 131.8762 163.8499 761743.4307 -34.2637 -33.9725 PRESSURE: 2273600 207.17 283.886 -220.389 283.887 -374.335 -322.002 -220.388 -322.003 237.872 GPRESSURE: 2273600 241.877 208.73 -258.604 248.723 -310.594 -351.781 -103.827 -314.388 208.379 PRESSAVG: 2273600 -7.8044 27.9081 -26.7554 27.9082 25.9954 -39.8867 -26.7554 -39.8866 24.3061 GPRESSAVG: 2273600 -7.51839 28.306 -26.0753 27.0021 27.3379 -41.5082 -27.6974 -36.7353 22.8948 TIMING: 2273600 CPU: 7178.61, 0.00324921/step Wall: 7178.61, 0.00324921/step, 2.46073 hours remaining, 237.757812 MB of memory in use. ENERGY: 2273600 3923.8040 20553.5969 14423.3325 250.3245 -203358.4270 2648.5303 0.0000 0.0000 52225.8398 -109332.9992 300.1426 -161558.8389 -108962.5246 299.4537 23.5691 46.5543 761660.8560 14.1657 14.2381 PRESSURE: 2273800 63.2334 -136.442 -162.646 -136.442 -154.966 44.7615 -162.646 44.7595 -244.841 GPRESSURE: 2273800 48.6657 -124.47 -188.926 -51.5132 -133.3 56.4606 -73.3596 78.0416 -157.208 PRESSAVG: 2273800 50.4628 0.257359 -42.7737 0.257354 -24.7079 31.7005 -42.7736 31.7005 -3.04302 GPRESSAVG: 2273800 51.5988 0.865615 -42.7157 -0.126823 -25.4183 30.566 -42.4363 31.2665 -3.30592 TIMING: 2273800 CPU: 7179.25, 0.00322094/step Wall: 7179.25, 0.00322094/step, 2.43915 hours remaining, 237.757812 MB of memory in use. ENERGY: 2273800 4049.6730 20715.0740 14510.3525 235.6822 -203467.7150 2605.7150 0.0000 0.0000 52057.5879 -109293.6303 299.1757 -161351.2182 -108929.6329 300.3194 -112.1909 -80.6140 761181.7112 7.5707 7.6249 PRESSURE: 2274000 -27.6508 -146.284 19.1505 -146.285 -417.516 -33.3264 19.1503 -33.3263 -215.954 GPRESSURE: 2274000 -66.6716 -158.332 -68.9487 -20.7898 -331.758 56.6711 -7.94022 -16.9111 -190.156 PRESSAVG: 2274000 8.42043 20.8064 -60.5832 20.8064 -28.3349 51.5211 -60.5831 51.521 10.0878 GPRESSAVG: 2274000 7.87008 20.5307 -61.7667 21.901 -28.7141 54.2263 -60.3857 49.6769 10.633 TIMING: 2274000 CPU: 7179.9, 0.00326673/step Wall: 7179.9, 0.00326673/step, 2.47364 hours remaining, 237.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2274000 3997.7850 20679.3404 14563.9122 241.6909 -203546.3711 2557.7099 0.0000 0.0000 52379.7843 -109126.1483 301.0273 -161505.9326 -108759.6018 300.0283 -220.3738 -196.1951 760910.9582 -3.2756 -3.4037 PRESSURE: 2274200 148.254 0.508382 -145.983 0.508009 -32.0138 -161.955 -145.983 -161.955 485.223 GPRESSURE: 2274200 288.979 -97.3624 -161.293 -74.9146 -57.584 -151.999 -184.997 -64.539 445.593 PRESSAVG: 2274200 0.264154 46.4194 13.8011 46.4193 -9.25915 8.67861 13.801 8.67869 5.75729 GPRESSAVG: 2274200 -0.101068 46.4543 12.4255 43.4996 -8.35687 7.62967 13.9018 10.4463 4.984 TIMING: 2274200 CPU: 7180.56, 0.00326364/step Wall: 7180.56, 0.00326364/step, 2.47112 hours remaining, 237.757812 MB of memory in use. ENERGY: 2274200 3959.0802 20597.2344 14539.1039 263.8774 -204096.4524 3030.9875 0.0000 0.0000 52511.0917 -109195.0775 301.7820 -161706.1691 -108830.6518 300.6232 200.4878 225.6625 758345.7712 -1.0792 -1.1580 PRESSURE: 2274400 419.094 22.2831 -81.4478 22.2828 115.643 -100.029 -81.4486 -100.03 -96.2578 GPRESSURE: 2274400 467.146 3.85293 -42.2803 129.247 181.488 -150.082 -23.0999 -185.922 -113.051 PRESSAVG: 2274400 67.4305 -13.0213 29.6144 -13.0213 -65.176 41.0557 29.6144 41.0557 10.2446 GPRESSAVG: 2274400 69.716 -12.4344 30.2943 -9.93955 -64.9798 39.6212 30.3938 42.4132 8.75983 TIMING: 2274400 CPU: 7181.2, 0.00323747/step Wall: 7181.2, 0.00323747/step, 2.45112 hours remaining, 237.757812 MB of memory in use. ENERGY: 2274400 4037.6047 20746.7186 14375.4245 261.9488 -203327.4739 2512.7878 0.0000 0.0000 52344.8291 -109048.1605 300.8265 -161392.9896 -108681.0970 301.0310 146.1597 178.5278 759699.1618 4.1664 4.4987 PRESSURE: 2274600 114.287 -80.2303 -84.8657 -80.2304 -64.7469 -348.29 -84.8648 -348.291 -12.8531 GPRESSURE: 2274600 93.1971 -144.312 -61.0868 -85.3678 -0.443696 -343.206 -72.6852 -299.215 12.1398 PRESSAVG: 2274600 78.147 -1.6038 1.21342 -1.60382 18.0582 -27.6951 1.21347 -27.695 -19.9401 GPRESSAVG: 2274600 76.8428 -1.36975 1.34241 -3.70416 17.6931 -25.0934 1.26747 -28.7941 -18.0273 TIMING: 2274600 CPU: 7181.85, 0.00324077/step Wall: 7181.85, 0.00324077/step, 2.45344 hours remaining, 237.757812 MB of memory in use. ENERGY: 2274600 4010.8020 20716.6970 14499.3877 250.3907 -203378.9229 2609.4091 0.0000 0.0000 52078.7996 -109213.4369 299.2976 -161292.2364 -108854.5435 300.7004 12.2288 34.9644 760482.8814 25.4217 25.5028 PRESSURE: 2274800 -252.283 245.11 21.6395 245.11 -160.801 204.26 21.64 204.259 155.635 GPRESSURE: 2274800 -237.023 260.695 7.65875 149.862 -181.949 182.957 116.667 348.629 234.774 PRESSAVG: 2274800 73.9327 -19.2814 15.8245 -19.2814 -20.587 9.79537 15.8245 9.79538 16.2268 GPRESSAVG: 2274800 74.1883 -17.2667 16.3559 -19.0352 -21.9634 8.75206 16.5798 9.15582 16.1984 TIMING: 2274800 CPU: 7182.5, 0.00325551/step Wall: 7182.5, 0.00325551/step, 2.46442 hours remaining, 237.757812 MB of memory in use. ENERGY: 2274800 4004.5391 20655.1025 14483.0979 235.9210 -203139.2951 2159.9605 0.0000 0.0000 52192.8971 -109407.7769 299.9533 -161600.6740 -109037.8513 300.0742 -85.8164 -61.3996 761855.7338 23.1908 22.8078 PRESSURE: 2275000 18.0026 27.1643 170.639 27.1647 325.932 82.6793 170.639 82.6784 289.653 GPRESSURE: 2275000 162.551 18.7947 70.9184 54.5889 262.364 87.6088 -41.4622 82.4378 313.2 PRESSAVG: 2275000 -27.919 -72.637 9.46859 -72.637 23.8707 65.8376 9.46858 65.8375 -9.11608 GPRESSAVG: 2275000 -28.4602 -75.2834 8.69579 -72.1951 25.2144 65.8857 8.9247 65.9791 -9.74319 TIMING: 2275000 CPU: 7183.16, 0.00327847/step Wall: 7183.16, 0.00327847/step, 2.48162 hours remaining, 237.757812 MB of memory in use. ENERGY: 2275000 4029.6273 20633.0475 14438.9475 241.7186 -203597.2378 2701.7875 0.0000 0.0000 52065.0075 -109487.1019 299.2183 -161552.1094 -109128.4581 299.5582 211.1962 246.0385 759797.2230 -4.3881 -4.3296 PRESSURE: 2275200 -242.386 26.9182 108.372 26.9179 -181.101 81.2331 108.373 81.2324 -354.119 GPRESSURE: 2275200 -222.098 3.46416 -1.93799 94.5915 -163.876 40.9605 215.6 -22.6161 -327.677 PRESSAVG: 2275200 13.3739 -10.1149 22.4047 -10.1149 -9.6142 41.4625 22.4047 41.4626 -20.3381 GPRESSAVG: 2275200 13.678 -9.81986 23.7629 -10.9091 -10.2036 39.5396 21.7853 40.937 -20.4986 TIMING: 2275200 CPU: 7183.81, 0.00323609/step Wall: 7183.81, 0.00323609/step, 2.44936 hours remaining, 237.757812 MB of memory in use. ENERGY: 2275200 4047.9900 20522.0607 14472.1394 259.0939 -202959.4163 2126.0616 0.0000 0.0000 52299.3861 -109232.6845 300.5653 -161532.0707 -108869.8042 299.6322 -259.2024 -237.8837 761830.0659 -5.5261 -5.6747 PRESSURE: 2275400 -63.9983 -175.595 9.53331 -175.595 10.8395 49.377 9.53361 49.3771 225.796 GPRESSURE: 2275400 14.4189 -23.4849 54.4312 -102.694 -9.99985 161.475 17.1434 90.6392 247.482 PRESSAVG: 2275400 15.458 18.8452 8.39222 18.8452 -28.258 5.79022 8.39225 5.79019 5.03293 GPRESSAVG: 2275400 16.0153 18.0527 8.63897 17.996 -29.5827 6.50353 9.12129 6.08463 5.39581 TIMING: 2275400 CPU: 7184.45, 0.00319983/step Wall: 7184.45, 0.00319983/step, 2.42174 hours remaining, 237.757812 MB of memory in use. ENERGY: 2275400 4025.4938 20631.7155 14497.3610 236.7325 -202667.1956 2183.0001 0.0000 0.0000 52146.7546 -108946.1381 299.6881 -161092.8927 -108590.5507 300.7989 57.5458 83.9671 760724.2522 -2.5890 -2.7239 PRESSURE: 2275600 18.8747 43.9728 214.292 43.9728 -113.576 -199.086 214.292 -199.086 -18.8405 GPRESSURE: 2275600 18.7223 18.2584 264.098 30.0767 -176.811 -173.45 73.9497 -109.607 117.555 PRESSAVG: 2275600 8.97253 -28.0064 23.3724 -28.0064 -1.56308 -15.164 23.3724 -15.1641 -18.7111 GPRESSAVG: 2275600 7.8971 -27.3882 23.0207 -27.8512 -0.993635 -13.5651 22.4474 -14.1803 -18.1883 TIMING: 2275600 CPU: 7185.1, 0.00325029/step Wall: 7185.1, 0.00325029/step, 2.45975 hours remaining, 237.757812 MB of memory in use. ENERGY: 2275600 4091.5761 20702.9807 14434.8428 230.7758 -203012.0785 2305.2480 0.0000 0.0000 52236.1463 -109010.5089 300.2019 -161246.6552 -108661.8469 300.7830 -37.8471 -13.5111 760671.6915 -3.7672 -3.7616 PRESSURE: 2275800 -7.09171 85.6404 286.99 85.6413 -63.6741 369.657 286.991 369.657 23.4572 GPRESSURE: 2275800 16.178 24.8659 318.153 23.586 -53.6775 288.608 300.582 140.747 41.8639 PRESSAVG: 2275800 -1.20111 -34.6353 17.3471 -34.6353 -2.95494 55.1575 17.3471 55.1575 7.93359 GPRESSAVG: 2275800 -0.107428 -36.8154 17.3476 -32.7189 -3.25382 52.4549 19.1504 54.0563 7.49248 TIMING: 2275800 CPU: 7185.75, 0.00328512/step Wall: 7185.75, 0.00328512/step, 2.48592 hours remaining, 237.757812 MB of memory in use. ENERGY: 2275800 4015.9126 20710.7114 14417.2175 243.1004 -203187.3158 2458.5497 0.0000 0.0000 52178.3775 -109163.4467 299.8699 -161341.8242 -108800.1197 301.0287 -15.7695 1.4548 759648.3600 1.2592 1.3771 PRESSURE: 2276000 -112.136 55.6676 -133.895 55.6678 263.092 -38.676 -133.893 -38.6756 -273.006 GPRESSURE: 2276000 -46.5849 -36.3785 -203.859 -76.4161 355.952 -84.5029 -94.2588 -139.896 -351.546 PRESSAVG: 2276000 -45.3678 -31.4137 -11.3645 -31.4138 11.1856 21.0104 -11.3645 21.0103 -14.2955 GPRESSAVG: 2276000 -44.4865 -30.216 -11.8969 -31.2916 11.6665 24.0732 -13.4107 18.7422 -15.4741 TIMING: 2276000 CPU: 7186.4, 0.00324712/step Wall: 7186.4, 0.00324712/step, 2.45699 hours remaining, 237.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2276000 4003.2811 20709.1621 14412.1299 262.5267 -203199.8257 2401.8284 0.0000 0.0000 52182.8826 -109228.0150 299.8957 -161410.8976 -108864.7720 300.1921 -40.6832 -14.0597 760667.7146 -16.1592 -16.0980 PRESSURE: 2276200 -101.926 -80.1957 212.806 -80.1964 92.2701 147.45 212.807 147.451 164.186 GPRESSURE: 2276200 0.997142 -85.8459 293.061 -2.04657 68.4916 -7.84887 79.1447 145.097 179.957 PRESSAVG: 2276200 1.43007 -29.2367 7.55372 -29.2368 -2.61841 -3.40603 7.55372 -3.4061 -14.4057 GPRESSAVG: 2276200 0.76359 -28.4931 8.49438 -30.4685 -2.30936 -4.38491 8.39721 -3.3196 -13.7228 TIMING: 2276200 CPU: 7187.05, 0.00325932/step Wall: 7187.05, 0.00325932/step, 2.46604 hours remaining, 237.757812 MB of memory in use. ENERGY: 2276200 3936.0878 20512.7626 14439.4333 247.7603 -203284.1504 2564.1263 0.0000 0.0000 52508.7323 -109075.2477 301.7684 -161583.9800 -108710.7198 300.3752 51.5098 83.1486 759839.4674 -5.1980 -5.0895 LDB: ============= START OF LOAD BALANCING ============== 7199.46 LDB: ============== END OF LOAD BALANCING =============== 7199.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7199.46 LDB: ============= START OF LOAD BALANCING ============== 7199.78 LDB: Largest compute 7034 load 0.036227 is 18.5% of average load 0.195970 LDB: Average compute 0.004389 is 2.2% of average load 0.195970 LDB: TIME 7199.78 LOAD: AVG 0.19597 MAX 0.215142 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 7199.78 LOAD: AVG 0.19597 MAX 0.215142 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7199.78 LOAD: AVG 0.19597 MAX 0.215142 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7199.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7199.79 PRESSURE: 2276400 -79.1252 133.271 64.3415 133.272 117.258 48.3608 64.3413 48.3624 218.342 GPRESSURE: 2276400 0.892761 104.032 75.8129 90.5561 165.793 49.8596 73.3075 -52.3478 203.258 PRESSAVG: 2276400 1.32056 -41.6471 14.9776 -41.6471 -13.1739 18.0053 14.9777 18.0053 9.7977 GPRESSAVG: 2276400 1.94497 -42.1338 12.2558 -41.497 -13.6372 16.7617 16.2671 18.855 9.6463 TIMING: 2276400 CPU: 7187.71, 0.00327673/step Wall: 7187.71, 0.00327673/step, 2.47903 hours remaining, 238.355469 MB of memory in use. ENERGY: 2276400 3943.3653 20620.7481 14345.8787 257.0551 -202883.8127 2382.3583 0.0000 0.0000 52302.9023 -109031.5049 300.5855 -161334.4072 -108671.0004 300.2853 85.4915 123.3143 759913.0181 -0.6852 -0.6820 PRESSURE: 2276600 -255.518 73.1258 -164.205 73.1257 175.209 -141.519 -164.205 -141.517 -171.538 GPRESSURE: 2276600 -237.32 76.1767 -140.473 46.0229 210.601 -149.417 -252.793 -36.2884 -151.022 PRESSAVG: 2276600 -17.193 -28.9149 -2.7681 -28.9149 -19.9817 40.1268 -2.76808 40.1268 -6.67737 GPRESSAVG: 2276600 -17.5523 -29.001 -2.8908 -27.9424 -19.9915 41.0655 -3.30173 42.5906 -6.36877 TIMING: 2276600 CPU: 7188.36, 0.00325501/step Wall: 7188.36, 0.00325501/step, 2.46241 hours remaining, 238.355469 MB of memory in use. ENERGY: 2276600 4052.6310 20468.4227 14489.3839 278.1931 -202954.6025 2178.0162 0.0000 0.0000 52299.7056 -109188.2500 300.5671 -161487.9555 -108817.6493 299.7731 -83.9493 -59.2470 761479.7044 -14.6173 -14.6375 PRESSURE: 2276800 -184.665 -98.2583 -86.7868 -98.2593 18.6604 102.171 -86.7861 102.171 9.6649 GPRESSURE: 2276800 -151.934 -104.027 -96.6947 -192.325 10.1941 127.067 -45.7372 -5.03071 88.8941 PRESSAVG: 2276800 -60.8789 18.6854 -54.6865 18.6855 22.2981 -34.4205 -54.6865 -34.4204 3.42025 GPRESSAVG: 2276800 -61.7072 18.9524 -52.9726 18.6509 22.835 -34.214 -55.0423 -34.6166 3.94269 TIMING: 2276800 CPU: 7189.01, 0.00325384/step Wall: 7189.01, 0.00325384/step, 2.46135 hours remaining, 238.355469 MB of memory in use. ENERGY: 2276800 3918.8815 20649.9881 14435.2379 271.0948 -202925.5590 2163.5703 0.0000 0.0000 52268.0178 -109218.7686 300.3850 -161486.7864 -108863.6147 299.9894 -52.1133 -17.6152 759931.0090 -11.7202 -11.6432 PRESSURE: 2277000 -87.7462 -0.175521 97.3558 -0.175208 -115.589 201.932 97.3559 201.932 -319.504 GPRESSURE: 2277000 -59.0822 55.0261 126.999 -15.6532 -60.161 70.497 -14.844 258.272 -318.455 PRESSAVG: 2277000 -31.1467 -21.5636 20.5347 -21.5636 47.1286 -13.1398 20.5347 -13.1399 -34.4445 GPRESSAVG: 2277000 -31.0858 -19.336 21.521 -24.0035 48.2937 -13.92 19.7515 -13.726 -35.4484 TIMING: 2277000 CPU: 7189.66, 0.0032541/step Wall: 7189.66, 0.0032541/step, 2.46136 hours remaining, 238.355469 MB of memory in use. ENERGY: 2277000 4008.9793 20519.1796 14427.1331 235.8685 -203051.7134 2330.5186 0.0000 0.0000 52283.6204 -109246.4140 300.4747 -161530.0344 -108876.2854 299.8935 -174.2796 -145.8995 760795.5789 -6.1542 -6.0802 PRESSURE: 2277200 -358.555 -34.5981 177.577 -34.5969 -73.7582 -59.2603 177.578 -59.2598 -190.582 GPRESSURE: 2277200 -253.01 37.5643 179.708 17.7259 -144.249 -15.002 123.995 49.8791 -143.926 PRESSAVG: 2277200 25.1388 -91.0943 27.2236 -91.0943 -62.7018 -51.6392 27.2236 -51.6392 -5.42993 GPRESSAVG: 2277200 25.7719 -93.121 27.1639 -89.4148 -63.778 -49.771 27.775 -53.1474 -5.12525 TIMING: 2277200 CPU: 7190.31, 0.00323272/step Wall: 7190.31, 0.00323272/step, 2.44502 hours remaining, 238.355469 MB of memory in use. ENERGY: 2277200 4116.8509 20598.7984 14394.3530 250.9672 -202767.9575 2174.5491 0.0000 0.0000 51914.7161 -109317.7227 298.3546 -161232.4388 -108949.4075 299.8080 -207.6318 -180.3951 762572.0934 -14.3310 -14.3771 PRESSURE: 2277400 93.2787 -57.9775 63.6119 -57.9775 158.437 -119.908 63.6117 -119.908 265.261 GPRESSURE: 2277400 45.0544 31.0675 94.7191 46.8553 231.817 -91.3036 -15.6185 -63.5147 309.597 PRESSAVG: 2277400 37.9076 -24.5937 15.888 -24.5937 -42.0343 -14.7673 15.8879 -14.7674 -17.6102 GPRESSAVG: 2277400 36.9829 -24.3395 16.7467 -22.7 -42.7711 -16.0542 16.4361 -14.2349 -16.9093 TIMING: 2277400 CPU: 7190.95, 0.00323014/step Wall: 7190.95, 0.00323014/step, 2.44288 hours remaining, 238.355469 MB of memory in use. ENERGY: 2277400 3993.1356 20547.0591 14421.7744 230.0808 -203463.0491 2715.1101 0.0000 0.0000 52275.8526 -109280.0365 300.4300 -161555.8891 -108917.5965 299.9154 172.3256 195.4893 759393.7188 -7.2456 -7.5658 PRESSURE: 2277600 -209.239 -139.438 -146.063 -139.438 -217.489 -66.6855 -146.063 -66.6854 -93.2779 GPRESSURE: 2277600 -179.119 -132.6 -197.063 -36.1081 -196.757 -70.2764 -44.4336 34.3452 -47.361 PRESSAVG: 2277600 -12.7636 -26.854 11.8108 -26.8539 35.8846 11.2844 11.8108 11.2843 -2.52232 GPRESSAVG: 2277600 -12.3994 -26.2715 10.7222 -27.3858 36.5234 10.9315 11.3247 12.3994 -3.64308 TIMING: 2277600 CPU: 7191.6, 0.00323591/step Wall: 7191.6, 0.00323591/step, 2.44707 hours remaining, 238.355469 MB of memory in use. ENERGY: 2277600 3992.4269 20432.7115 14467.0225 241.7650 -202953.2743 2311.6693 0.0000 0.0000 52205.8018 -109301.8774 300.0275 -161507.6792 -108944.3602 299.9159 -173.3350 -141.0789 761833.3694 6.8662 6.8270 PRESSURE: 2277800 107.604 -78.958 -85.6002 -78.9593 -207.272 118.231 -85.5996 118.232 -180.411 GPRESSURE: 2277800 73.8984 -72.2688 -97.9455 -21.4654 -116.138 84.9614 -36.4573 91.2802 -165.592 PRESSAVG: 2277800 8.00478 -0.35139 26.2523 -0.351434 3.38168 50.5851 26.2524 50.585 -19.6012 GPRESSAVG: 2277800 6.61426 -0.332082 27.0259 -1.89552 2.9859 51.779 28.0812 48.6117 -17.6502 TIMING: 2277800 CPU: 7192.24, 0.00321368/step Wall: 7192.24, 0.00321369/step, 2.43008 hours remaining, 238.355469 MB of memory in use. ENERGY: 2277800 3959.5000 20561.6550 14458.8599 243.9261 -203064.7052 2517.9631 0.0000 0.0000 52124.0500 -109198.7511 299.5576 -161322.8011 -108851.8432 300.1250 -93.3597 -69.2771 761424.8871 -2.7382 -2.6833 PRESSURE: 2278000 111.499 -177.273 86.7408 -177.274 17.6236 -124.339 86.7403 -124.339 -193.184 GPRESSURE: 2278000 110.985 -218.656 211.298 -264.279 79.3573 -141.072 -7.99891 33.3586 -165.835 PRESSAVG: 2278000 -15.7393 -14.2271 -16.8343 -14.2271 19.1713 -21.0554 -16.8343 -21.0555 25.3152 GPRESSAVG: 2278000 -15.8726 -15.0002 -16.2394 -12.1261 19.8074 -22.7699 -17.7004 -18.6739 24.9333 TIMING: 2278000 CPU: 7192.89, 0.00321881/step Wall: 7192.89, 0.00321881/step, 2.43378 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2278000 4033.7566 20640.6413 14461.6178 248.1170 -203256.5022 2598.7177 0.0000 0.0000 52037.3603 -109236.2914 299.0594 -161273.6518 -108868.9980 299.8368 -21.3540 8.1690 761244.0026 9.5824 9.6227 PRESSURE: 2278200 175.685 -92.574 -48.5525 -92.5735 268.694 104.036 -48.5526 104.036 -182.951 GPRESSURE: 2278200 210.075 -134.177 -11.038 -60.1886 307.363 142.959 -100.787 68.7535 -166.442 PRESSAVG: 2278200 11.4763 -21.8985 -34.27 -21.8986 0.365586 -53.5154 -34.2699 -53.5154 -18.9018 GPRESSAVG: 2278200 11.7076 -22.6498 -34.5424 -23.6995 0.53926 -51.3812 -33.7541 -54.7039 -19.0055 TIMING: 2278200 CPU: 7193.53, 0.00323053/step Wall: 7193.53, 0.00323053/step, 2.44246 hours remaining, 238.355469 MB of memory in use. ENERGY: 2278200 3970.6330 20597.2065 14430.2257 257.0247 -203008.0362 2387.1936 0.0000 0.0000 52177.6093 -109188.1435 299.8654 -161365.7527 -108831.1644 300.1962 87.1425 116.9989 760363.7384 -2.3533 -2.2529 PRESSURE: 2278400 -185.502 42.1241 1.054 42.1239 -95.0861 98.6662 1.05421 98.6661 73.8043 GPRESSURE: 2278400 -176.242 -31.8165 38.3622 35.8566 18.2402 106.678 -67.7938 78.2986 35.2249 PRESSAVG: 2278400 9.25232 -14.4278 49.4762 -14.4277 -3.39164 7.3153 49.4762 7.31533 -5.52854 GPRESSAVG: 2278400 11.4939 -13.1423 49.4932 -14.6498 -4.78038 7.26021 49.0902 5.08004 -5.95878 TIMING: 2278400 CPU: 7194.17, 0.00319954/step Wall: 7194.17, 0.00319954/step, 2.41885 hours remaining, 238.355469 MB of memory in use. ENERGY: 2278400 4011.2568 20513.4503 14442.6660 234.4445 -202950.6831 2273.3693 0.0000 0.0000 52212.1540 -109263.3422 300.0640 -161475.4963 -108890.3905 299.5535 -68.9278 -40.9256 761281.3210 0.1107 0.2516 PRESSURE: 2278600 250.233 22.9168 -116.1 22.9177 83.4599 -163.35 -116.1 -163.351 -333.738 GPRESSURE: 2278600 238.66 4.29416 -155.54 55.6283 173.987 -140.427 -66.9914 -90.9497 -316.642 PRESSAVG: 2278600 -2.19838 5.06587 -9.87988 5.06581 -15.3251 8.13034 -9.87989 8.13027 19.3887 GPRESSAVG: 2278600 -2.31863 5.53706 -9.25456 5.47886 -15.0342 8.14483 -11.6993 9.33499 19.0842 TIMING: 2278600 CPU: 7194.81, 0.00319822/step Wall: 7194.81, 0.00319822/step, 2.41767 hours remaining, 238.355469 MB of memory in use. ENERGY: 2278600 3913.6859 20426.9001 14553.6876 262.2488 -202693.7856 2271.8774 0.0000 0.0000 52049.2223 -109216.1635 299.1276 -161265.3858 -108846.9197 299.9553 -0.0149 32.0017 759223.1986 0.6217 0.5771 PRESSURE: 2278800 -361.426 -31.3593 190.829 -31.359 -325.213 -20.1124 190.83 -20.1116 -285.083 GPRESSURE: 2278800 -316.915 -64.7435 132.202 -14.6846 -289.457 -28.736 57.0376 -72.3897 -275.201 PRESSAVG: 2278800 29.3512 23.6757 1.76578 23.6757 -36.8583 -37.0882 1.76575 -37.0882 -8.43843 GPRESSAVG: 2278800 28.9059 24.1808 0.98357 23.1889 -35.8071 -37.3254 1.98045 -36.5904 -8.81508 TIMING: 2278800 CPU: 7195.45, 0.00320636/step Wall: 7195.45, 0.00320636/step, 2.42365 hours remaining, 238.355469 MB of memory in use. ENERGY: 2278800 3981.8485 20621.5696 14455.1406 258.6677 -202723.8230 2121.9418 0.0000 0.0000 52149.9606 -109134.6942 299.7065 -161284.6548 -108768.6495 299.7979 -323.9074 -293.8577 762167.2983 -5.3152 -5.2388 PRESSURE: 2279000 -4.42452 78.2862 106.46 78.2852 194.181 202.414 106.46 202.414 32.4971 GPRESSURE: 2279000 40.3267 61.0753 113.441 98.5915 229.644 213.176 65.4726 59.574 18.0388 PRESSAVG: 2279000 1.55734 -1.15506 21.1302 -1.15507 -8.69029 -20.3806 21.1302 -20.3805 -26.9663 GPRESSAVG: 2279000 1.03051 -0.843831 21.1077 -1.44135 -9.50493 -21.8844 20.3334 -19.633 -25.9525 TIMING: 2279000 CPU: 7196.1, 0.00322353/step Wall: 7196.1, 0.00322353/step, 2.43645 hours remaining, 238.355469 MB of memory in use. ENERGY: 2279000 3962.6414 20393.0364 14462.3572 261.9572 -202610.5648 2179.3943 0.0000 0.0000 52096.1713 -109255.0071 299.3974 -161351.1784 -108886.6668 299.2983 74.0845 96.0032 760585.9106 -11.3664 -11.4756 PRESSURE: 2279200 -1.63086 7.36206 216.987 7.3627 -25.087 -74.8086 216.987 -74.8088 70.5728 GPRESSURE: 2279200 44.4297 56.2289 284.169 69.936 -47.2684 -41.2842 227.421 -82.0777 120.665 PRESSAVG: 2279200 51.8923 25.9574 -5.93382 25.9574 -36.6779 -7.43933 -5.93389 -7.43938 -0.568514 GPRESSAVG: 2279200 51.3519 25.1979 -5.65949 26.2817 -35.7893 -7.08512 -4.29736 -7.61533 -0.539076 TIMING: 2279200 CPU: 7196.75, 0.00323732/step Wall: 7196.75, 0.00323732/step, 2.4467 hours remaining, 238.355469 MB of memory in use. ENERGY: 2279200 4026.5782 20390.5511 14536.1441 264.0500 -203061.7525 2463.3987 0.0000 0.0000 52075.4341 -109305.5962 299.2782 -161381.0303 -108941.9014 299.3043 14.6183 39.2756 760274.0302 4.8819 5.0078 PRESSURE: 2279400 -185.354 144.88 -148.003 144.881 18.0618 14.2788 -148.002 14.2792 58.2733 GPRESSURE: 2279400 -48.3651 138.99 -160.42 66.8819 23.0142 48.7958 -141.658 -102.475 5.94207 PRESSAVG: 2279400 -19.8625 -3.30203 -0.748616 -3.30197 21.7788 -31.715 -0.748603 -31.715 -20.338 GPRESSAVG: 2279400 -20.7026 -3.81352 0.320954 -5.25874 21.7761 -31.3786 -1.55951 -31.6411 -19.3712 TIMING: 2279400 CPU: 7197.4, 0.0032417/step Wall: 7197.4, 0.0032417/step, 2.44983 hours remaining, 238.355469 MB of memory in use. ENERGY: 2279400 4016.8769 20605.2886 14466.9582 252.1702 -203191.7692 2586.1275 0.0000 0.0000 51988.2214 -109276.1265 298.7770 -161264.3478 -108912.4466 299.8514 -36.3397 -6.4696 760092.9767 -6.1406 -6.0992 PRESSURE: 2279600 45.6652 -191.689 -330.815 -191.688 80.4892 -332.479 -330.816 -332.479 -101.683 GPRESSURE: 2279600 27.3542 -70.2396 -323.537 -193.445 77.867 -387.669 -416.966 -223.169 -13.484 PRESSAVG: 2279600 17.8165 -29.6599 11.9486 -29.6598 1.32627 12.2566 11.9487 12.2565 11.426 GPRESSAVG: 2279600 18.8887 -28.0525 11.2688 -28.3955 0.268728 11.0096 14.1334 12.863 11.1108 TIMING: 2279600 CPU: 7198.04, 0.00323217/step Wall: 7198.04, 0.00323217/step, 2.44244 hours remaining, 238.355469 MB of memory in use. ENERGY: 2279600 3951.2606 20636.3135 14427.6846 244.4970 -203500.4298 2623.7400 0.0000 0.0000 52163.0078 -109453.9263 299.7815 -161616.9341 -109084.5686 299.9021 8.1571 30.5791 760469.2282 10.1896 10.0894 PRESSURE: 2279800 68.479 149.169 55.9523 149.169 -96.4177 29.0153 55.9533 29.0152 -148.387 GPRESSURE: 2279800 23.3167 10.7128 18.0372 109.512 -35.2028 112.474 -34.8177 42.2158 -83.1932 PRESSAVG: 2279800 9.35745 -40.7257 -57.046 -40.7257 21.7329 8.96767 -57.0459 8.96774 -20.9407 GPRESSAVG: 2279800 10.1936 -44.1864 -56.9406 -39.042 20.748 9.71959 -58.5437 8.83393 -20.7555 TIMING: 2279800 CPU: 7198.69, 0.00322159/step Wall: 7198.69, 0.00322159/step, 2.43427 hours remaining, 238.355469 MB of memory in use. ENERGY: 2279800 4049.6892 20653.6099 14499.7291 231.8814 -202959.5077 2149.7717 0.0000 0.0000 52070.6146 -109304.2119 299.2505 -161374.8264 -108948.2719 299.7533 -58.7753 -31.6931 762175.8728 3.3832 3.3954 PRESSURE: 2280000 -22.9235 -183.433 16.9526 -183.434 -313.927 124.487 16.953 124.487 316.159 GPRESSURE: 2280000 -2.69579 -246.144 27.9125 -268.562 -215.517 129.494 34.489 100.287 269.268 PRESSAVG: 2280000 -0.158365 7.30385 14.8263 7.30385 -11.0023 -13.0794 14.8262 -13.0794 23.9724 GPRESSAVG: 2280000 -0.923654 5.95275 15.4879 6.9842 -9.56736 -13.1855 13.6241 -13.411 23.3398 TIMING: 2280000 CPU: 7199.33, 0.00322094/step Wall: 7199.33, 0.00322094/step, 2.4336 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2280000 3984.1067 20403.0817 14525.8870 250.9063 -203409.1816 2514.1684 0.0000 0.0000 52154.1610 -109576.8704 299.7307 -161731.0314 -109210.1211 299.3106 -6.8973 17.0186 760561.6818 4.2706 4.2829 PRESSURE: 2280200 -131.026 -291.641 -240.993 -291.64 58.4951 -24.1729 -240.992 -24.1739 -170.667 GPRESSURE: 2280200 -71.1671 -204.05 -190.203 -189.361 76.8846 -90.2343 -277.314 31.1028 -155.538 PRESSAVG: 2280200 -3.42298 17.6634 -6.77488 17.6634 13.5219 -2.49716 -6.77487 -2.49716 1.74604 GPRESSAVG: 2280200 -2.82657 20.6286 -7.05858 16.1977 12.3077 -2.12988 -5.64596 -4.15621 2.55328 TIMING: 2280200 CPU: 7199.97, 0.00321607/step Wall: 7199.97, 0.00321607/step, 2.42974 hours remaining, 238.355469 MB of memory in use. ENERGY: 2280200 4020.5174 20339.7609 14409.6031 279.3859 -203441.9844 2454.4788 0.0000 0.0000 52237.2294 -109701.0089 300.2081 -161938.2384 -109342.2559 299.0751 -81.0660 -49.9401 758356.3239 3.9483 4.0115 LDB: ============= START OF LOAD BALANCING ============== 7212.38 LDB: ============== END OF LOAD BALANCING =============== 7212.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7212.38 LDB: ============= START OF LOAD BALANCING ============== 7212.7 LDB: Largest compute 7034 load 0.035761 is 18.3% of average load 0.195949 LDB: Average compute 0.004376 is 2.2% of average load 0.195949 LDB: TIME 7212.71 LOAD: AVG 0.195949 MAX 0.216407 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 7212.71 LOAD: AVG 0.195949 MAX 0.216407 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 7212.71 LOAD: AVG 0.195949 MAX 0.216407 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 7212.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7212.71 PRESSURE: 2280400 -141.45 -268.069 -42.0482 -268.069 -244.209 82.7617 -42.0473 82.7615 -117.265 GPRESSURE: 2280400 -144.322 -222.696 -184.815 -119.858 -165.088 28.3185 -67.6078 188.964 -102.914 PRESSAVG: 2280400 64.6574 -27.2275 -30.2334 -27.2275 -26.5191 -59.5481 -30.2333 -59.5482 -21.0887 GPRESSAVG: 2280400 63.2868 -26.7471 -31.4635 -27.7054 -25.4233 -59.8494 -31.1794 -59.7717 -20.497 TIMING: 2280400 CPU: 7200.63, 0.00328627/step Wall: 7200.63, 0.00328627/step, 2.4826 hours remaining, 240.406250 MB of memory in use. ENERGY: 2280400 3936.2919 20452.7337 14423.9704 257.3631 -202556.2483 1875.1775 0.0000 0.0000 51988.2734 -109622.4384 298.7773 -161610.7118 -109261.8520 299.3955 -167.6413 -137.4413 759074.3207 5.6832 5.7888 PRESSURE: 2280600 228.416 -130.722 -26.2189 -130.723 -25.4621 -473.363 -26.2176 -473.362 30.4134 GPRESSURE: 2280600 367.768 -124.931 -87.5117 -227.369 -33.1023 -465.551 65.5354 -349.139 -16.1109 PRESSAVG: 2280600 6.28824 -7.92947 -49.6818 -7.92947 -12.5167 -5.76096 -49.6818 -5.76088 2.72681 GPRESSAVG: 2280600 6.69591 -7.79508 -50.0908 -7.40358 -12.8797 -5.11997 -47.7467 -5.30508 2.65998 TIMING: 2280600 CPU: 7201.27, 0.00321045/step Wall: 7201.27, 0.00321045/step, 2.42513 hours remaining, 240.609375 MB of memory in use. ENERGY: 2280600 4035.0287 20542.3293 14465.2361 254.8670 -203687.3445 2639.3528 0.0000 0.0000 52123.4352 -109627.0954 299.5541 -161750.5306 -109266.3431 299.3749 77.7891 106.1850 760596.2300 -1.1672 -1.1746 PRESSURE: 2280800 -237.508 -34.3501 60.4328 -34.3513 -140.541 45.3122 60.4322 45.3113 66.2373 GPRESSURE: 2280800 -164.224 -23.7405 39.6108 56.8685 -160.355 93.1899 93.7493 118.109 96.6332 PRESSAVG: 2280800 -3.78162 -25.9597 -43.1632 -25.9597 -16.2618 -16.3119 -43.1632 -16.3118 4.88187 GPRESSAVG: 2280800 -3.67608 -26.5529 -43.5034 -25.6023 -15.8809 -16.6359 -43.627 -13.2234 4.63944 TIMING: 2280800 CPU: 7201.91, 0.00319554/step Wall: 7201.91, 0.00319554/step, 2.4137 hours remaining, 240.609375 MB of memory in use. ENERGY: 2280800 3925.8725 20438.8040 14388.2921 240.1587 -203360.3663 2523.4729 0.0000 0.0000 52048.5752 -109795.1910 299.1239 -161843.7662 -109434.4779 298.8058 -103.9372 -75.9816 761117.7173 -5.0539 -4.9725 PRESSURE: 2281000 -66.5169 -17.4047 176.627 -17.4044 -54.4828 8.11853 176.627 8.11793 -4.29778 GPRESSURE: 2281000 -29.6396 44.5842 173.901 -141.055 -8.63481 -20.2754 114.85 82.835 21.4157 PRESSAVG: 2281000 15.262 -16.6422 -44.5886 -16.6421 -27.5445 4.03243 -44.5886 4.03245 -52.981 GPRESSAVG: 2281000 15.9259 -17.6617 -44.4604 -17.7229 -28.6016 2.4533 -46.0952 3.11913 -52.9664 TIMING: 2281000 CPU: 7202.56, 0.00322303/step Wall: 7202.56, 0.00322303/step, 2.43429 hours remaining, 240.609375 MB of memory in use. ENERGY: 2281000 3939.3794 20388.8748 14491.0591 261.2165 -203615.5322 2591.1430 0.0000 0.0000 52250.2204 -109693.6391 300.2827 -161943.8594 -109324.8483 298.9800 -41.7658 -5.6196 758581.4797 -21.7545 -21.8807 PRESSURE: 2281200 -518.968 143.009 -194.611 143.009 -66.5679 -116.709 -194.611 -116.708 -299.68 GPRESSURE: 2281200 -476.423 68.7004 -291.836 91.3356 -22.0432 -104.797 -50.6954 -86.5997 -323.454 PRESSAVG: 2281200 -32.3222 -50.9489 -6.76326 -50.9489 19.1897 9.40588 -6.76323 9.40592 12.2445 GPRESSAVG: 2281200 -33.2452 -50.9138 -6.33937 -51.1021 20.1961 10.7319 -6.30295 7.53194 11.6794 TIMING: 2281200 CPU: 7203.2, 0.00323728/step Wall: 7203.2, 0.00323728/step, 2.44486 hours remaining, 240.609375 MB of memory in use. ENERGY: 2281200 4058.6924 20508.3028 14400.7735 254.0376 -203351.0385 2358.4189 0.0000 0.0000 52211.9495 -109558.8639 300.0628 -161770.8134 -109196.7423 299.0566 -295.0721 -273.9734 761589.0134 -0.2960 -0.4566 PRESSURE: 2281400 -296.22 -27.5442 -38.6318 -27.5446 -194.811 -203.39 -38.6317 -203.391 23.7815 GPRESSURE: 2281400 -240.512 -37.143 -45.7185 -61.5238 -160.289 -191.647 -18.1169 -91.3315 5.22409 PRESSAVG: 2281400 -35.3515 -17.1138 63.2033 -17.1137 32.8398 -30.6549 63.2034 -30.655 24.5483 GPRESSAVG: 2281400 -34.8775 -17.1035 64.9973 -16.0914 33.1585 -31.1891 63.5589 -29.1895 24.5191 TIMING: 2281400 CPU: 7203.85, 0.00322615/step Wall: 7203.85, 0.00322615/step, 2.43628 hours remaining, 240.609375 MB of memory in use. ENERGY: 2281400 3907.3475 20731.0239 14472.6351 253.8427 -203535.9741 2466.8189 0.0000 0.0000 52219.4519 -109484.8540 300.1059 -161704.3059 -109123.3923 299.9971 -155.7499 -131.8588 759600.4502 7.3456 7.6000 PRESSURE: 2281600 -36.7424 8.80231 -68.662 8.80275 -325.318 -43.6925 -68.6624 -43.6922 -339.94 GPRESSURE: 2281600 -63.5655 -63.2616 -113.738 67.2739 -309.577 -48.3936 -215.714 -37.5346 -265.694 PRESSAVG: 2281600 -17.7656 -35.7595 28.8254 -35.7595 6.99603 33.1468 28.8253 33.1468 -6.78363 GPRESSAVG: 2281600 -18.2115 -36.5273 27.3443 -35.4099 5.46723 33.2473 29.7661 33.6328 -5.40932 TIMING: 2281600 CPU: 7204.49, 0.00323004/step Wall: 7204.49, 0.00323004/step, 2.43904 hours remaining, 240.609375 MB of memory in use. ENERGY: 2281600 3953.9298 20553.6525 14398.1646 236.9728 -203162.9215 2075.0805 0.0000 0.0000 52213.3418 -109731.7795 300.0708 -161945.1212 -109362.8868 299.5262 -233.9999 -212.9452 760879.3114 -5.8511 -6.0512 PRESSURE: 2281800 45.0333 -1.40035 -282.248 -1.40023 -336.19 15.8183 -282.249 15.8182 -4.10145 GPRESSURE: 2281800 78.1571 10.4616 -167.378 -99.7595 -325.939 48.31 -195.302 -182.666 45.5767 PRESSAVG: 2281800 14.7715 -48.6691 -46.3651 -48.6691 -27.0362 -36.8478 -46.3651 -36.8479 11.4692 GPRESSAVG: 2281800 13.9637 -48.7177 -46.7701 -48.8086 -26.8788 -35.4782 -48.285 -37.5128 12.1361 TIMING: 2281800 CPU: 7205.14, 0.00324112/step Wall: 7205.14, 0.00324112/step, 2.44723 hours remaining, 240.609375 MB of memory in use. ENERGY: 2281800 4060.5694 20591.5229 14379.0345 244.1146 -203851.9088 2671.8993 0.0000 0.0000 52133.7848 -109770.9833 299.6136 -161904.7681 -109399.0521 298.6744 -98.4195 -67.4018 760679.0888 -0.2652 -0.2597 PRESSURE: 2282000 427.299 39.8495 -243.007 39.8494 210.127 -55.2782 -243.007 -55.2786 -100.263 GPRESSURE: 2282000 345.706 114.707 -133.507 -30.2163 271.523 -104.188 -205.012 76.7459 -26.3047 PRESSAVG: 2282000 67.2303 -11.451 -18.7105 -11.451 -73.5829 -18.9258 -18.7105 -18.9258 1.65648 GPRESSAVG: 2282000 67.9937 -10.3413 -17.3647 -13.4715 -73.7732 -21.188 -18.9642 -17.727 1.0632 TIMING: 2282000 CPU: 7205.79, 0.00323689/step Wall: 7205.79, 0.00323689/step, 2.44385 hours remaining, 240.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2282000 4024.2021 20441.3341 14445.3395 266.9504 -203654.5089 2591.9119 0.0000 0.0000 52091.8671 -109792.9038 299.3727 -161884.7709 -109422.1224 299.4227 179.0541 196.9749 761326.1281 -1.5654 -1.5721 PRESSURE: 2282200 -30.7595 -25.7866 -51.9994 -25.7869 -78.8542 -128.515 -51.9995 -128.514 -25.2761 GPRESSURE: 2282200 -29.0841 16.2256 -89.8904 -34.7105 -92.3166 -114.441 -130.221 -105.719 76.1371 PRESSAVG: 2282200 11.401 19.7346 14.0106 19.7346 -16.6178 -65.1317 14.0106 -65.1318 -7.71121 GPRESSAVG: 2282200 10.6021 20.4072 12.3664 20.692 -16.5819 -65.3258 14.605 -66.6866 -7.00783 TIMING: 2282200 CPU: 7206.44, 0.00322278/step Wall: 7206.44, 0.00322278/step, 2.43302 hours remaining, 240.609375 MB of memory in use. ENERGY: 2282200 3979.9205 20545.6065 14515.8924 231.3733 -203677.4113 2598.6993 0.0000 0.0000 52173.1217 -109632.7977 299.8396 -161805.9193 -109266.8833 299.0048 -44.9633 -15.0879 760368.5271 -4.3094 -4.3292 PRESSURE: 2282400 309.248 100.735 -263.629 100.735 170.736 43.8179 -263.629 43.8182 411.151 GPRESSURE: 2282400 341.691 138.792 -325.178 -23.1458 208.698 1.83111 -214.734 -99.7633 424.521 PRESSAVG: 2282400 -13.2483 25.6908 -8.97217 25.6908 8.98675 -52.8885 -8.97211 -52.8884 24.9132 GPRESSAVG: 2282400 -11.7125 27.3415 -8.57578 26.9978 8.83661 -52.5321 -8.51229 -52.4989 23.9963 TIMING: 2282400 CPU: 7207.08, 0.00320467/step Wall: 7207.08, 0.00320467/step, 2.41917 hours remaining, 240.609375 MB of memory in use. ENERGY: 2282400 3923.1224 20500.3828 14509.4705 257.6155 -203725.0763 2804.4742 0.0000 0.0000 52147.6279 -109582.3829 299.6931 -161730.0108 -109214.9197 299.6140 297.0450 324.9699 760387.1694 6.8839 7.0402 PRESSURE: 2282600 182.312 219.701 52.9416 219.7 354.344 6.16934 52.9411 6.16863 248.378 GPRESSURE: 2282600 146.58 46.5927 122.264 132.156 422.988 40.4482 144.277 -6.5142 285.237 PRESSAVG: 2282600 -28.5512 -27.7504 -34.22 -27.7505 13.8683 -0.637691 -34.2201 -0.637636 22.198 GPRESSAVG: 2282600 -29.0686 -29.2474 -31.804 -29.8835 14.6621 -1.16401 -34.2131 -0.446669 21.7886 TIMING: 2282600 CPU: 7207.72, 0.00323909/step Wall: 7207.72, 0.00323909/step, 2.44497 hours remaining, 240.609375 MB of memory in use. ENERGY: 2282600 3871.4372 20421.8486 14510.0860 235.3053 -203751.5403 2587.4167 0.0000 0.0000 52336.5704 -109788.8761 300.7790 -162125.4465 -109423.7708 299.6692 261.6778 284.9350 759234.7334 2.5050 2.4607 PRESSURE: 2282800 135.532 -264.882 143.068 -264.882 229.591 -42.2283 143.068 -42.2274 223.659 GPRESSURE: 2282800 181.391 -334.658 80.7842 -187.272 252.985 -38.6004 113.757 -96.3688 229.906 PRESSAVG: 2282800 -26.5871 -4.62745 32.9643 -4.6274 -20.7476 -30.3306 32.9643 -30.3306 -22.7645 GPRESSAVG: 2282800 -25.9987 -5.76027 29.6953 -4.61985 -21.8515 -28.2892 32.3617 -30.2981 -21.5603 TIMING: 2282800 CPU: 7208.37, 0.00322588/step Wall: 7208.37, 0.00322588/step, 2.43482 hours remaining, 240.609375 MB of memory in use. ENERGY: 2282800 4007.0960 20646.4740 14460.9948 256.5363 -203444.0382 2248.4438 0.0000 0.0000 51997.1320 -109827.3614 298.8282 -161824.4934 -109463.0837 298.8790 196.2607 221.4274 759178.8677 -23.3664 -23.1368 PRESSURE: 2283000 -47.4899 -81.0716 16.1729 -81.07 85.7182 -89.2162 16.1722 -89.2162 -179.508 GPRESSURE: 2283000 -54.6704 3.76252 26.8846 -117.623 112.248 -97.4179 26.9795 -115.627 -125.712 PRESSAVG: 2283000 -16.4511 -25.2313 -29.317 -25.2313 18.9073 10.2408 -29.317 10.2408 10.3771 GPRESSAVG: 2283000 -17.7294 -23.8611 -28.2745 -24.1874 20.0406 8.95536 -28.6958 7.9436 10.266 TIMING: 2283000 CPU: 7209.02, 0.00327348/step Wall: 7209.02, 0.00327348/step, 2.47057 hours remaining, 240.609375 MB of memory in use. ENERGY: 2283000 3959.2704 20640.9493 14421.3905 266.6413 -203722.6926 2392.6851 0.0000 0.0000 52108.1336 -109933.6224 299.4662 -162041.7560 -109568.0923 299.0032 -47.0933 -22.7114 759173.8364 4.2778 4.1924 PRESSURE: 2283200 182.774 -184.148 -88.2216 -184.148 -16.7902 110.156 -88.2218 110.155 -106.459 GPRESSURE: 2283200 184.346 -135.116 -18.516 -76.7608 -73.9268 21.1349 -41.6258 43.4755 7.93249 PRESSAVG: 2283200 -41.8601 -4.46401 -38.9186 -4.46393 29.8313 2.75345 -38.9186 2.75348 -14.2318 GPRESSAVG: 2283200 -42.0725 -1.99161 -39.4086 -3.31195 29.3888 3.09784 -41.6395 3.87813 -13.6785 TIMING: 2283200 CPU: 7209.67, 0.00324834/step Wall: 7209.67, 0.00324834/step, 2.45142 hours remaining, 240.609375 MB of memory in use. ENERGY: 2283200 3932.4807 20580.1758 14468.0043 244.3236 -203821.3466 2443.8729 0.0000 0.0000 52093.7919 -110058.6974 299.3837 -162152.4893 -109698.9144 298.7471 19.8416 39.4506 759091.4420 -8.7535 -8.7874 PRESSURE: 2283400 -139.234 122.485 -161.894 122.484 89.1567 237.633 -161.894 237.632 88.7107 GPRESSURE: 2283400 -13.496 176.637 -159.943 17.4717 170.082 170.087 -168.98 154.485 -21.7534 PRESSAVG: 2283400 -46.2048 14.3046 -66.177 14.3046 25.765 -14.2882 -66.177 -14.2882 28.4205 GPRESSAVG: 2283400 -44.2217 13.7415 -65.6921 12.9626 25.4926 -14.0951 -64.0846 -14.222 27.1042 TIMING: 2283400 CPU: 7210.32, 0.0032236/step Wall: 7210.32, 0.0032236/step, 2.43256 hours remaining, 240.609375 MB of memory in use. ENERGY: 2283400 3936.5758 20519.4534 14434.1642 254.5117 -203636.6454 2441.0770 0.0000 0.0000 51905.2583 -110145.6050 298.3002 -162050.8633 -109784.9661 298.4055 12.8777 44.9442 758558.2758 2.6602 2.7917 PRESSURE: 2283600 -154.205 117.23 179.502 117.231 26.6666 251.619 179.502 251.619 224.695 GPRESSURE: 2283600 -78.3272 95.694 117.482 160.868 61.0139 252.927 198.28 201.686 200.548 PRESSAVG: 2283600 -67.6414 -27.0362 -13.2051 -27.0362 38.4114 15.6394 -13.2052 15.6394 16.3153 GPRESSAVG: 2283600 -69.5272 -29.1899 -13.1771 -27.3048 39.7513 16.4444 -13.1378 15.415 16.4608 TIMING: 2283600 CPU: 7210.96, 0.00318634/step Wall: 7210.96, 0.00318634/step, 2.40427 hours remaining, 240.609375 MB of memory in use. ENERGY: 2283600 3971.2461 20555.1923 14506.5175 268.6329 -203687.6975 2717.2137 0.0000 0.0000 51352.7274 -110316.1675 295.1248 -161668.8949 -109961.8891 297.5769 32.3856 61.0783 759024.5851 -4.3049 -4.4383 PRESSURE: 2283800 -233.692 -369.559 -182.468 -369.558 -101.016 -91.2627 -182.467 -91.2624 15.9085 GPRESSURE: 2283800 -222.417 -291.047 -212.157 -431.7 -91.9955 -37.1728 -150.962 -175.984 88.7927 PRESSAVG: 2283800 -48.9427 -4.15322 -55.1238 -4.15325 14.9992 21.4752 -55.1238 21.4753 -3.93259 GPRESSAVG: 2283800 -48.8118 -3.0084 -54.9172 -3.60152 13.8861 20.9348 -56.0523 24.4116 -2.88151 TIMING: 2283800 CPU: 7211.6, 0.00322228/step Wall: 7211.6, 0.00322228/step, 2.43121 hours remaining, 240.609375 MB of memory in use. ENERGY: 2283800 4049.3938 20642.3069 14428.6246 248.8420 -204021.4275 2713.4649 0.0000 0.0000 51880.8585 -110057.9368 298.1600 -161938.7953 -109700.3852 297.7655 -106.2666 -75.2066 762414.1808 -12.6253 -12.6024 PRESSURE: 2284000 449.676 15.4083 67.5881 15.4093 166.887 78.2298 67.5881 78.2296 -197.189 GPRESSURE: 2284000 382.475 0.649412 72.659 117.594 245.892 116.542 35.1291 -45.269 -129.66 PRESSAVG: 2284000 -30.5437 -51.9418 -16.8568 -51.9419 80.7029 -31.3685 -16.8567 -31.3686 -8.17077 GPRESSAVG: 2284000 -30.3149 -52.246 -16.8982 -49.9433 81.4102 -31.5982 -15.6397 -31.7238 -9.22042 TIMING: 2284000 CPU: 7212.25, 0.00323313/step Wall: 7212.25, 0.00323313/step, 2.43922 hours remaining, 240.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2284000 3964.4966 20683.1575 14478.6341 244.0755 -204096.4487 2970.8631 0.0000 0.0000 51596.2983 -110158.9236 296.5246 -161755.2218 -109807.5633 297.9743 139.7915 166.2356 759656.3410 13.9961 13.9583 PRESSURE: 2284200 -441.249 -2.58795 -38.6618 -2.58838 -329.465 205.34 -38.6608 205.342 -241.161 GPRESSURE: 2284200 -430.055 -173.799 -70.3777 -24.5195 -217.927 204.479 -141.519 166.508 -274.869 PRESSAVG: 2284200 10.7508 -13.4217 15.9361 -13.4218 -2.53216 39.3669 15.9361 39.3669 8.26263 GPRESSAVG: 2284200 9.74116 -11.8522 17.0083 -16.8441 -1.80305 39.6169 14.8602 36.9433 8.35732 TIMING: 2284200 CPU: 7212.89, 0.00321348/step Wall: 7212.89, 0.00321348/step, 2.42421 hours remaining, 240.609375 MB of memory in use. ENERGY: 2284200 3979.8447 20676.8654 14466.6127 258.5970 -203726.9296 2324.6055 0.0000 0.0000 51974.4134 -110045.9909 298.6977 -162020.4043 -109698.6387 298.0564 -337.2917 -307.6170 761462.7787 5.4938 5.4318 LDB: ============= START OF LOAD BALANCING ============== 7225.29 LDB: ============== END OF LOAD BALANCING =============== 7225.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7225.29 LDB: ============= START OF LOAD BALANCING ============== 7225.62 LDB: Largest compute 7058 load 0.035014 is 17.9% of average load 0.195908 LDB: Average compute 0.004388 is 2.2% of average load 0.195908 LDB: TIME 7225.62 LOAD: AVG 0.195908 MAX 0.216589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.605 MB LDB: TIME 7225.62 LOAD: AVG 0.195908 MAX 0.216589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: TIME 7225.62 LOAD: AVG 0.195908 MAX 0.216589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: ============== END OF LOAD BALANCING =============== 7225.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7225.63 PRESSURE: 2284400 -186.045 -119.805 54.4114 -119.806 -106.741 -7.53292 54.4114 -7.5322 -121.927 GPRESSURE: 2284400 -206.727 -83.2316 56.4449 -133.066 -46.233 -4.87541 31.2574 14.45 -79.0491 PRESSAVG: 2284400 -25.0067 -27.3345 17.5583 -27.3344 -5.78939 9.32374 17.5584 9.3237 1.64061 GPRESSAVG: 2284400 -25.0508 -27.7002 17.0132 -28.0366 -7.19393 8.85662 17.0756 11.3605 2.72507 TIMING: 2284400 CPU: 7213.54, 0.00327647/step Wall: 7213.54, 0.00327647/step, 2.47155 hours remaining, 237.640625 MB of memory in use. ENERGY: 2284400 4029.6931 20420.5763 14494.9804 251.0270 -203361.5585 2497.2209 0.0000 0.0000 51799.8537 -109868.2071 297.6945 -161668.0608 -109512.4676 298.6384 -138.2373 -110.6696 760037.4109 -9.7185 -9.8399 PRESSURE: 2284600 14.677 -206.71 -288.282 -206.709 33.7487 9.61926 -288.281 9.61928 -73.3218 GPRESSURE: 2284600 92.6081 -215.947 -415.476 -176.722 33.2987 27.3895 -140.717 46.293 -73.0423 PRESSAVG: 2284600 -38.3602 -45.2854 10.1965 -45.2854 43.4693 8.30738 10.1964 8.3073 3.54687 GPRESSAVG: 2284600 -38.0772 -45.7704 10.0659 -44.2176 42.9402 8.13666 10.3286 8.12301 3.02563 TIMING: 2284600 CPU: 7214.18, 0.00317844/step Wall: 7214.18, 0.00317844/step, 2.39743 hours remaining, 237.843750 MB of memory in use. ENERGY: 2284600 3977.7458 20533.1411 14489.4530 220.1220 -203418.8088 2473.1698 0.0000 0.0000 51764.1186 -109961.0584 297.4891 -161725.1770 -109614.5065 298.1008 -8.2987 17.6215 760567.1755 2.8853 2.6295 PRESSURE: 2284800 333.003 -61.4272 222.827 -61.4271 -1.64763 -90.6706 222.827 -90.6702 -258.64 GPRESSURE: 2284800 352.623 49.5012 184.684 -73.6649 20.0831 -159.533 151.951 -23.8128 -202.986 PRESSAVG: 2284800 -11.4379 -48.4809 12.7086 -48.481 -1.22794 24.8296 12.7087 24.8297 6.04924 GPRESSAVG: 2284800 -10.8404 -48.2625 11.876 -48.1359 -0.846658 24.7629 11.6093 24.7331 4.87258 TIMING: 2284800 CPU: 7214.82, 0.00319898/step Wall: 7214.82, 0.00319898/step, 2.41274 hours remaining, 237.843750 MB of memory in use. ENERGY: 2284800 3941.8316 20509.9972 14464.4101 258.0542 -203625.2042 2505.5897 0.0000 0.0000 52026.1313 -109919.1902 298.9949 -161945.3215 -109554.7448 298.3757 24.2384 56.5733 760925.4134 -2.2055 -2.2715 PRESSURE: 2285000 -26.8671 42.9024 -125.019 42.903 207.537 362.885 -125.019 362.884 316.208 GPRESSURE: 2285000 4.57409 93.9784 -109.044 -24.4115 242.684 406.633 -206.354 209.679 333.749 PRESSAVG: 2285000 27.5009 -15.9309 -6.55319 -15.9309 32.2474 -31.7766 -6.55324 -31.7766 -11.5804 GPRESSAVG: 2285000 27.2529 -15.1353 -7.69771 -14.6537 31.7447 -31.1575 -4.77889 -31.8549 -10.5548 TIMING: 2285000 CPU: 7215.45, 0.00316289/step Wall: 7215.45, 0.00316289/step, 2.38535 hours remaining, 237.843750 MB of memory in use. ENERGY: 2285000 3958.4366 20600.8234 14414.0976 227.7103 -204029.6124 2747.3946 0.0000 0.0000 52099.1487 -109982.0011 299.4145 -162081.1498 -109636.4589 298.5310 165.6261 193.6690 759729.0819 16.0560 16.1476 PRESSURE: 2285200 106.842 -205.834 -353.74 -205.834 -172.579 -52.3468 -353.74 -52.3466 415.929 GPRESSURE: 2285200 52.5554 -112.008 -258.77 -226.706 -45.7945 -55.6409 -468.968 3.62531 426.775 PRESSAVG: 2285200 -15.4357 -26.4678 -50.2677 -26.4677 14.8313 0.146813 -50.2677 0.146853 7.90468 GPRESSAVG: 2285200 -14.9214 -27.63 -48.1894 -27.4115 15.0785 -0.906212 -49.8579 -0.543137 7.17817 TIMING: 2285200 CPU: 7216.08, 0.00315043/step Wall: 7216.08, 0.00315043/step, 2.37577 hours remaining, 237.843750 MB of memory in use. ENERGY: 2285200 3929.9262 20584.2505 14495.2940 255.1713 -203675.1292 2566.3572 0.0000 0.0000 51902.6803 -109941.4497 298.2854 -161844.1301 -109579.9768 298.2491 116.7307 144.5119 759466.4273 2.4334 2.4451 PRESSURE: 2285400 9.58238 153.513 8.71455 153.513 -109.458 -7.54696 8.71454 -7.54676 124.985 GPRESSURE: 2285400 20.0627 38.8734 40.0785 186.87 -137.589 -10.4013 45.5434 -2.66584 243.381 PRESSAVG: 2285400 -22.7074 1.68175 21.0977 1.6818 -12.1817 -7.94021 21.0977 -7.9402 4.37839 GPRESSAVG: 2285400 -22.6997 -0.309418 20.5096 2.78108 -14.0424 -7.87723 20.1029 -8.10134 5.68213 TIMING: 2285400 CPU: 7216.71, 0.00315684/step Wall: 7216.71, 0.00315684/step, 2.38043 hours remaining, 237.843750 MB of memory in use. ENERGY: 2285400 3939.6974 20541.1025 14379.9423 247.8699 -203542.6365 2563.8657 0.0000 0.0000 52145.4692 -109724.6896 299.6807 -161870.1588 -109358.1527 298.4529 8.3696 41.9513 760585.0765 -10.1703 -10.3533 PRESSURE: 2285600 -10.6429 146.077 -232.373 146.078 53.9256 242.889 -232.373 242.891 -6.46734 GPRESSURE: 2285600 48.3018 68.604 -173.082 59.5936 87.8939 240.419 -102.853 169.989 -20.3447 PRESSAVG: 2285600 -0.135141 8.71147 -18.1016 8.71149 35.7188 8.42633 -18.1016 8.42626 14.6653 GPRESSAVG: 2285600 -0.289463 8.51171 -16.5097 7.36541 36.451 7.21727 -16.013 8.171 15.1255 TIMING: 2285600 CPU: 7217.35, 0.00316983/step Wall: 7217.35, 0.00316983/step, 2.39005 hours remaining, 237.843750 MB of memory in use. ENERGY: 2285600 3965.4420 20736.5175 14460.2268 244.5554 -203281.4732 2367.2682 0.0000 0.0000 51772.6899 -109734.7734 297.5384 -161507.4633 -109384.1903 298.9239 12.2718 38.6170 760429.5511 16.7497 17.0957 PRESSURE: 2285800 -164.143 9.73099 -84.8851 9.72993 -130.944 83.2779 -84.8856 83.2784 -27.3896 GPRESSURE: 2285800 -63.1564 -77.2168 -133.288 32.0076 -197.737 70.475 -78.1367 154.954 28.162 PRESSAVG: 2285800 -29.7846 -36.3783 16.5199 -36.3783 45.5513 6.9954 16.52 6.99551 -4.60006 GPRESSAVG: 2285800 -29.0431 -36.7154 14.157 -35.8889 44.7872 7.74575 14.7467 8.51 -5.03881 TIMING: 2285800 CPU: 7217.98, 0.00318406/step Wall: 7217.98, 0.00318406/step, 2.4006 hours remaining, 237.843750 MB of memory in use. ENERGY: 2285800 4029.0265 20486.0437 14495.4166 247.8230 -203727.2458 2824.4354 0.0000 0.0000 51978.6686 -109665.8320 298.7221 -161644.5005 -109305.6627 298.9731 -107.4922 -77.5773 760743.5386 3.7222 3.5684 PRESSURE: 2286000 -218.735 -49.4625 -219.903 -49.4623 -199.442 -9.9176 -219.902 -9.91773 -188.393 GPRESSURE: 2286000 -231.928 35.3483 -252.634 -83.6689 -128.097 21.8461 -191.526 -20.9411 -143.635 PRESSAVG: 2286000 -13.8507 58.2901 -11.7592 58.2901 0.530687 3.98741 -11.7592 3.98751 5.1012 GPRESSAVG: 2286000 -14.6425 58.9785 -12.5055 58.1091 0.252762 4.90373 -11.4102 3.19932 6.20886 TIMING: 2286000 CPU: 7218.62, 0.00316793/step Wall: 7218.62, 0.00316793/step, 2.38827 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2286000 4070.4692 20360.0595 14455.9077 232.6818 -203548.6375 2409.5060 0.0000 0.0000 52188.7965 -109831.2169 299.9297 -162020.0134 -109456.7092 298.9876 -202.1898 -167.8868 761240.5024 -2.7396 -2.7270 PRESSURE: 2286200 -33.9689 -46.7234 174.649 -46.7237 219.427 298.022 174.649 298.021 138.607 GPRESSURE: 2286200 -21.2472 -53.562 81.0588 -3.18171 263.858 271.46 82.8615 261.662 173.405 PRESSAVG: 2286200 70.3512 -18.5006 -15.5464 -18.5006 -51.1724 -35.2059 -15.5463 -35.2059 -0.699343 GPRESSAVG: 2286200 70.5007 -19.0631 -15.0039 -18.4283 -50.8722 -35.0479 -15.4566 -36.1879 -1.80913 TIMING: 2286200 CPU: 7219.25, 0.00316203/step Wall: 7219.25, 0.00316203/step, 2.38365 hours remaining, 237.843750 MB of memory in use. ENERGY: 2286200 4022.9651 20398.9153 14516.3880 255.7474 -203437.4344 2449.7079 0.0000 0.0000 52063.8388 -109729.8719 299.2116 -161793.7107 -109371.0789 298.7623 108.0217 138.6720 759808.8804 6.1598 5.9398 PRESSURE: 2286400 -122.813 70.7075 -215.348 70.7078 -254.528 -49.7459 -215.348 -49.7456 -197.373 GPRESSURE: 2286400 -107.148 41.6099 -182.187 35.4611 -145.897 -89.1429 -191.487 -17.9887 -215.692 PRESSAVG: 2286400 45.2131 -9.36891 36.8602 -9.36892 -53.2196 -34.697 36.8601 -34.6969 -28.7066 GPRESSAVG: 2286400 44.557 -7.41441 38.0515 -9.24959 -51.4472 -34.9027 35.6816 -32.958 -30.0375 TIMING: 2286400 CPU: 7219.89, 0.0031903/step Wall: 7219.89, 0.0031903/step, 2.40477 hours remaining, 237.843750 MB of memory in use. ENERGY: 2286400 4011.5943 20635.9576 14500.6400 254.6129 -202900.2260 2062.1188 0.0000 0.0000 51792.8852 -109642.4171 297.6544 -161435.3024 -109283.5736 299.0963 -191.5711 -156.2457 761335.1780 -12.2377 -12.3092 PRESSURE: 2286600 74.437 -97.4975 -91.416 -97.4971 -228.263 133.386 -91.4166 133.386 178.35 GPRESSURE: 2286600 79.4542 -116.848 -129.246 -141.163 -174.884 60.9253 -24.2191 57.7821 222.661 PRESSAVG: 2286600 8.9249 -58.358 11.1756 -58.358 -14.7072 5.8865 11.1755 5.88649 9.54853 GPRESSAVG: 2286600 9.59316 -61.9621 10.9709 -57.6271 -15.5671 5.48536 11.6098 4.82571 10.0841 TIMING: 2286600 CPU: 7220.52, 0.00316796/step Wall: 7220.52, 0.00316796/step, 2.38776 hours remaining, 237.843750 MB of memory in use. ENERGY: 2286600 3966.7412 20516.3563 14415.8584 243.2990 -203419.6582 2452.3618 0.0000 0.0000 52032.4748 -109792.5669 299.0313 -161825.0416 -109426.4012 299.0760 8.1748 42.4106 761516.5708 1.2554 1.3701 PRESSURE: 2286800 -158.992 -143.555 191.77 -143.556 217.082 -19.2791 191.769 -19.2804 204.331 GPRESSURE: 2286800 -3.084 -95.3525 185.729 -64.1414 238.281 -25.7538 132.639 -55.8693 127.27 PRESSAVG: 2286800 -8.75033 -45.6853 -34.7704 -45.6853 17.5659 -76.2836 -34.7705 -76.2835 5.07001 GPRESSAVG: 2286800 -8.68918 -42.848 -34.2473 -46.5566 18.172 -77.6001 -33.8505 -73.8729 4.57542 TIMING: 2286800 CPU: 7221.16, 0.00319408/step Wall: 7221.16, 0.00319408/step, 2.40727 hours remaining, 237.843750 MB of memory in use. ENERGY: 2286800 3961.1701 20500.0262 14401.6524 257.7685 -203304.0654 2505.2023 0.0000 0.0000 51882.0882 -109796.1576 298.1671 -161678.2459 -109433.1547 298.6166 87.4734 120.8224 761327.7215 4.6285 4.6861 PRESSURE: 2287000 -108.34 13.4938 -168.718 13.4943 114.465 94.4119 -168.718 94.4121 -562.07 GPRESSURE: 2287000 -142.628 21.8107 -138.011 -113.543 133.431 33.2373 -187.806 -24.3089 -458.359 PRESSAVG: 2287000 -48.6022 -10.0027 -18.5515 -10.0027 15.5917 -57.2205 -18.5514 -57.2204 36.721 GPRESSAVG: 2287000 -49.8663 -10.3185 -20.4231 -9.49851 16.5419 -55.9353 -18.9651 -59.6617 36.9956 TIMING: 2287000 CPU: 7221.8, 0.00318559/step Wall: 7221.8, 0.00318559/step, 2.40069 hours remaining, 237.843750 MB of memory in use. ENERGY: 2287000 3976.3567 20526.8249 14362.6321 244.8356 -203533.4715 2525.5548 0.0000 0.0000 51919.8659 -109977.4015 298.3842 -161897.2673 -109615.7421 298.4889 -185.3149 -155.8520 760597.1790 1.2368 1.2238 PRESSURE: 2287200 -94.5396 -170.577 -64.2608 -170.577 74.6295 -108.25 -64.2604 -108.25 217.811 GPRESSURE: 2287200 -6.54534 -180.384 -11.4724 -127.428 117.154 -156.199 -77.4808 -20.46 170.186 PRESSAVG: 2287200 1.07057 21.4848 7.65369 21.4848 -24.17 -57.2844 7.65363 -57.2844 4.04656 GPRESSAVG: 2287200 2.49436 18.9475 8.49801 19.8529 -24.9822 -58.4887 6.52394 -58.4942 3.59269 TIMING: 2287200 CPU: 7222.43, 0.00315302/step Wall: 7222.43, 0.00315302/step, 2.37597 hours remaining, 237.843750 MB of memory in use. ENERGY: 2287200 3947.9680 20535.2542 14453.4447 237.5557 -203771.3167 2636.5363 0.0000 0.0000 51885.6772 -110074.8805 298.1877 -161960.5577 -109715.7432 298.3907 65.9668 93.5981 758250.7250 -6.3510 -6.2984 PRESSURE: 2287400 -161.898 2.97004 -82.0272 2.9696 -199.838 -178.42 -82.0269 -178.421 -126.774 GPRESSURE: 2287400 -81.6216 -28.8458 -32.9793 -74.7978 -233.816 -260.371 -111.94 -218.864 -86.033 PRESSAVG: 2287400 -82.8443 -16.2203 -7.54362 -16.2204 131.332 -91.5819 -7.54357 -91.5818 8.11517 GPRESSAVG: 2287400 -83.2377 -13.3666 -7.08378 -16.5382 131.798 -91.2887 -7.94353 -88.4888 7.77022 TIMING: 2287400 CPU: 7223.06, 0.00315681/step Wall: 7223.06, 0.00315681/step, 2.37866 hours remaining, 237.843750 MB of memory in use. ENERGY: 2287400 3871.7816 20589.7778 14411.6901 254.6927 -203632.9645 2535.3261 0.0000 0.0000 51660.8865 -110308.8098 296.8958 -161969.6963 -109942.8126 297.8441 -162.8365 -133.8236 759993.9219 18.8677 18.7768 PRESSURE: 2287600 90.0862 42.3033 158.028 42.3039 -101.579 -14.2484 158.03 -14.2474 181.179 GPRESSURE: 2287600 224.736 -46.1624 126.211 174.713 -135.701 41.8784 132.257 -149.118 167.729 PRESSAVG: 2287600 -30.3746 -14.9796 19.1488 -14.9797 48.4925 -54.0998 19.1488 -54.0998 24.1729 GPRESSAVG: 2287600 -31.352 -17.236 17.9442 -11.9319 49.5403 -52.359 20.175 -57.235 24.1219 TIMING: 2287600 CPU: 7223.7, 0.00318998/step Wall: 7223.7, 0.00318998/step, 2.40348 hours remaining, 237.843750 MB of memory in use. ENERGY: 2287600 4003.7830 20298.6218 14434.9512 247.8834 -203647.2964 2341.4738 0.0000 0.0000 51877.8259 -110442.7573 298.1426 -162320.5832 -110084.9300 297.8712 56.5619 85.5881 758897.7960 14.0970 14.1034 PRESSURE: 2287800 -36.123 -204.089 15.924 -204.088 -364.619 81.2484 15.9235 81.248 -88.5211 GPRESSURE: 2287800 34.2966 -177.89 86.4774 -140.908 -378.989 83.3092 -35.4816 52.8145 -59.2348 PRESSAVG: 2287800 28.9601 13.9912 -5.24358 13.9912 -27.9905 -42.3124 -5.24358 -42.3124 -8.89767 GPRESSAVG: 2287800 30.0042 13.4603 -5.68518 12.9789 -28.9456 -44.1034 -5.35891 -40.7359 -8.51072 TIMING: 2287800 CPU: 7224.33, 0.00316389/step Wall: 7224.33, 0.00316389/step, 2.38364 hours remaining, 237.843750 MB of memory in use. ENERGY: 2287800 4007.3162 20453.0395 14417.2249 217.9104 -203179.3124 2226.1629 0.0000 0.0000 51607.5222 -110250.1362 296.5891 -161857.6584 -109890.4713 297.6828 -163.0878 -134.6425 758986.2056 -2.6427 -2.4840 PRESSURE: 2288000 6.914 -167.797 -24.2718 -167.797 157.453 68.3936 -24.272 68.3929 445.284 GPRESSURE: 2288000 74.2447 -190.042 84.6431 -71.6457 181.076 66.2342 -55.2787 66.9293 439.802 PRESSAVG: 2288000 0.806377 -37.315 22.8703 -37.3149 -11.3299 -17.8687 22.8703 -17.8686 1.05572 GPRESSAVG: 2288000 0.610693 -35.5071 25.0834 -38.0129 -11.0443 -15.9832 24.2865 -17.5704 1.41738 TIMING: 2288000 CPU: 7224.96, 0.00315881/step Wall: 7224.96, 0.00315881/step, 2.37964 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2288000 3925.0135 20440.0504 14376.8744 252.8689 -203459.6031 2317.9757 0.0000 0.0000 51821.8523 -110324.9679 297.8209 -162146.8201 -109953.4924 297.8015 203.2172 231.7077 758798.5473 -3.1559 -3.0054 PRESSURE: 2288200 361.938 16.1463 251.684 16.1469 395.564 95.8849 251.685 95.8851 203.997 GPRESSURE: 2288200 308.549 -17.9585 201.635 -14.1061 398.639 106.726 107.729 48.6311 337.795 PRESSAVG: 2288200 -13.2582 -18.2951 44.3485 -18.2952 5.11673 -97.5351 44.3485 -97.5353 7.09611 GPRESSAVG: 2288200 -13.3981 -20.192 42.1552 -18.0869 3.98459 -98.565 44.4655 -98.8377 7.88645 TIMING: 2288200 CPU: 7225.6, 0.00320177/step Wall: 7225.6, 0.00320177/step, 2.41182 hours remaining, 237.843750 MB of memory in use. ENERGY: 2288200 4004.6715 20487.9381 14466.9734 241.6091 -204192.1347 2672.3939 0.0000 0.0000 51948.9612 -110369.5876 298.5514 -162318.5488 -110011.2520 297.6946 320.4999 348.3277 757985.2285 -0.3485 -0.5090 LDB: ============= START OF LOAD BALANCING ============== 7238.01 LDB: ============== END OF LOAD BALANCING =============== 7238.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7238.01 LDB: ============= START OF LOAD BALANCING ============== 7238.32 LDB: Largest compute 7034 load 0.034270 is 17.5% of average load 0.195965 LDB: Average compute 0.004390 is 2.2% of average load 0.195965 LDB: TIME 7238.33 LOAD: AVG 0.195965 MAX 0.219361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 7238.33 LOAD: AVG 0.195965 MAX 0.219361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: TIME 7238.33 LOAD: AVG 0.195965 MAX 0.217549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: ============== END OF LOAD BALANCING =============== 7238.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7238.34 PRESSURE: 2288400 14.2711 68.9495 124.414 68.9493 -2.80605 -159.613 124.415 -159.613 154.756 GPRESSURE: 2288400 -21.8439 -78.2386 198.126 12.7221 106.473 -133.627 109.379 -192.063 171.141 PRESSAVG: 2288400 -13.6699 -3.78479 31.1738 -3.78486 15.6174 14.4645 31.1738 14.4644 12.5422 GPRESSAVG: 2288400 -15.1699 -2.12004 32.6598 -2.762 17.1313 15.9326 28.7262 14.9653 11.9991 TIMING: 2288400 CPU: 7226.25, 0.00324858/step Wall: 7226.25, 0.00324858/step, 2.4469 hours remaining, 240.148438 MB of memory in use. ENERGY: 2288400 4012.2144 20438.8922 14540.5932 277.8240 -203553.1833 2457.2178 0.0000 0.0000 51705.0737 -110121.3681 297.1498 -161826.4418 -109765.7865 298.1448 55.4071 85.2567 759106.4354 4.8299 4.6535 PRESSURE: 2288600 -183.139 206.535 63.9377 206.536 196.994 -57.2649 63.9382 -57.2654 547.432 GPRESSURE: 2288600 -118.734 168.012 138.594 169.103 268.272 -3.65478 136.609 -66.143 493.46 PRESSAVG: 2288600 28.9456 -31.4914 74.4861 -31.4914 -46.5222 -5.29649 74.486 -5.29653 -2.95788 GPRESSAVG: 2288600 28.9579 -32.4211 74.4581 -31.5129 -46.6495 -6.06622 77.2773 -4.22732 -2.81428 TIMING: 2288600 CPU: 7226.89, 0.00316837/step Wall: 7226.89, 0.00316837/step, 2.38631 hours remaining, 240.351562 MB of memory in use. ENERGY: 2288600 3886.1218 20479.2632 14489.6822 245.7729 -203739.8053 2539.1593 0.0000 0.0000 51910.0722 -110189.7337 298.3279 -162099.8059 -109827.5899 297.5712 187.0958 214.3326 760765.9176 -6.8448 -6.8353 PRESSURE: 2288800 102.093 -64.2468 5.83468 -64.2473 240.545 -111.767 5.83518 -111.767 114.002 GPRESSURE: 2288800 109.639 -41.6777 98.7308 -91.0734 339.647 -175.579 74.3813 -9.99207 88.1526 PRESSAVG: 2288800 -51.6547 -2.49835 28.7659 -2.49845 53.357 16.0378 28.766 16.0378 -11.3378 GPRESSAVG: 2288800 -50.9753 -2.5956 27.7139 -3.84219 52.6112 15.734 26.8614 16.4558 -11.3655 TIMING: 2288800 CPU: 7227.53, 0.00319864/step Wall: 7227.53, 0.00319864/step, 2.40893 hours remaining, 240.351562 MB of memory in use. ENERGY: 2288800 4062.0386 20435.7435 14438.2135 263.8084 -204229.0623 3069.4407 0.0000 0.0000 51764.3430 -110195.4747 297.4904 -161959.8177 -109844.6016 297.8890 152.2130 179.1462 759055.8356 -3.2118 -3.2432 PRESSURE: 2289000 64.834 -206.33 81.7387 -206.33 -334.334 -66.9577 81.7389 -66.9588 -156.07 GPRESSURE: 2289000 73.3859 -201.675 24.3635 -99.2839 -285.499 -21.2923 78.9429 -73.1372 -134.169 PRESSAVG: 2289000 -27.7659 -17.7732 19.4789 -17.7731 -4.81538 10.0954 19.4791 10.0954 3.88801 GPRESSAVG: 2289000 -27.8479 -18.3547 19.8774 -15.6758 -3.22222 10.1253 20.6762 9.28173 2.8071 TIMING: 2289000 CPU: 7228.16, 0.00318867/step Wall: 7228.16, 0.00318867/step, 2.40124 hours remaining, 240.351562 MB of memory in use. ENERGY: 2289000 4013.4222 20583.9803 14394.9821 259.4463 -203445.2482 2354.4576 0.0000 0.0000 51725.3372 -110113.6223 297.2662 -161838.9596 -109755.4279 297.5955 -141.8569 -115.4275 760893.9104 -9.5644 -9.4210 PRESSURE: 2289200 131.097 205.02 -144.38 205.019 380.182 -40.6303 -144.38 -40.6305 -6.54454 GPRESSURE: 2289200 105.57 215.744 -107.234 170.22 398.591 -21.1269 -51.3373 -99.7278 98.303 PRESSAVG: 2289200 1.36942 -50.245 11.0471 -50.2449 7.11156 9.97025 11.0471 9.97023 -15.4713 GPRESSAVG: 2289200 1.65677 -47.4267 11.3005 -51.2234 4.78865 10.393 11.1549 7.46371 -13.5796 TIMING: 2289200 CPU: 7228.8, 0.00317564/step Wall: 7228.8, 0.00317564/step, 2.39126 hours remaining, 240.351562 MB of memory in use. ENERGY: 2289200 4022.2184 20485.5947 14383.8654 259.5796 -203751.9998 2741.3610 0.0000 0.0000 52029.9155 -109829.4653 299.0166 -161859.3808 -109468.4038 297.9344 168.2446 200.8212 759966.6181 -2.3301 -2.3781 PRESSURE: 2289400 -40.0726 65.401 284.229 65.4007 -186.682 -25.5692 284.229 -25.5703 145.333 GPRESSURE: 2289400 15.0874 37.1824 276.15 87.0703 -148.879 2.30914 181.534 35.6125 123.85 PRESSAVG: 2289400 4.34721 2.13931 41.6495 2.13934 -36.6975 -71.9335 41.6495 -71.9335 -15.1321 GPRESSAVG: 2289400 4.09009 0.90866 42.7264 1.79697 -36.0905 -73.186 39.4618 -69.2977 -15.3781 TIMING: 2289400 CPU: 7229.43, 0.003175/step Wall: 7229.43, 0.003175/step, 2.3906 hours remaining, 240.351562 MB of memory in use. ENERGY: 2289400 3937.5173 20496.7965 14421.7292 257.2890 -203258.3653 2449.6293 0.0000 0.0000 51867.0662 -109828.3377 298.0807 -161695.4040 -109455.2652 298.3719 -27.1407 -3.3138 761196.9776 -15.8275 -15.7928 PRESSURE: 2289600 81.7724 67.1476 -154.967 67.1475 -70.4863 126.214 -154.967 126.214 -322.797 GPRESSURE: 2289600 59.8975 36.5004 -149.341 134.108 24.4022 105.692 37.8783 -127.343 -311.173 PRESSAVG: 2289600 45.1456 13.6134 41.2435 13.6134 -32.4791 -6.03828 41.2434 -6.0382 6.53793 GPRESSAVG: 2289600 45.4658 13.8833 41.3357 13.854 -31.6783 -5.3346 45.753 -6.12592 5.14619 TIMING: 2289600 CPU: 7230.08, 0.00321164/step Wall: 7230.08, 0.00321164/step, 2.41801 hours remaining, 240.351562 MB of memory in use. ENERGY: 2289600 4002.2896 20466.9520 14380.0826 251.2487 -203317.3179 2411.2305 0.0000 0.0000 51926.6111 -109878.9034 298.4229 -161805.5146 -109519.8668 298.4235 -103.8369 -75.6244 760999.7082 6.4015 6.3112 PRESSURE: 2289800 -30.9541 66.1211 47.1563 66.1206 54.4763 -106.378 47.1559 -106.379 231.277 GPRESSURE: 2289800 82.6652 136.975 63.8373 -17.3311 31.3032 -102.846 121.754 -108.108 217.403 PRESSAVG: 2289800 -0.342682 -0.959577 4.03125 -0.959622 -5.82674 -3.74194 4.03129 -3.74195 -13.9988 GPRESSAVG: 2289800 0.273891 -0.266163 1.57096 -3.66909 -6.1659 -3.94749 3.84846 -5.46866 -14.0634 TIMING: 2289800 CPU: 7230.72, 0.00319257/step Wall: 7230.72, 0.00319257/step, 2.40347 hours remaining, 240.351562 MB of memory in use. ENERGY: 2289800 3944.3408 20539.3652 14499.5401 238.9077 -203333.2097 2460.6618 0.0000 0.0000 51815.1835 -109835.2107 297.7826 -161650.3942 -109478.1019 297.9095 84.9330 110.4571 761177.1970 -6.7227 -6.6518 PRESSURE: 2290000 144.527 -97.4889 -66.5763 -97.4885 65.5982 -253.945 -66.5765 -253.946 179.268 GPRESSURE: 2290000 223.035 -118.952 -142.795 -43.6013 98.1063 -258.16 -53.5982 -247.542 146.984 PRESSAVG: 2290000 50.3873 3.08024 67.2727 3.08026 -49.2398 4.23812 67.2728 4.23809 -13.3424 GPRESSAVG: 2290000 50.2253 2.04318 67.1717 3.87625 -48.735 4.7918 66.3038 3.23812 -13.6498 TIMING: 2290000 CPU: 7231.35, 0.0031995/step Wall: 7231.35, 0.0031995/step, 2.40851 hours remaining, 240.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2290000 3978.2734 20397.2070 14403.8265 230.7937 -203243.2583 2532.3757 0.0000 0.0000 51994.8512 -109705.9308 298.8151 -161700.7820 -109344.6178 298.6226 129.7979 156.0417 761804.9175 -4.0650 -4.0531 PRESSURE: 2290200 183.02 66.7042 46.7636 66.7045 40.3928 -430.015 46.7635 -430.015 -25.1202 GPRESSURE: 2290200 204.662 51.9373 41.6844 141.126 70.2164 -470.244 151.788 -336.689 -18.4953 PRESSAVG: 2290200 26.6091 -14.3807 41.6201 -14.3807 -22.0388 21.7704 41.6201 21.7704 17.0429 GPRESSAVG: 2290200 27.8485 -14.056 42.8535 -11.6146 -23.4084 20.6537 39.0621 23.1416 17.2826 TIMING: 2290200 CPU: 7231.99, 0.00318779/step Wall: 7231.99, 0.00318779/step, 2.39952 hours remaining, 240.351562 MB of memory in use. ENERGY: 2290200 4021.0093 20462.2240 14438.1733 240.2360 -203714.4170 2727.6709 0.0000 0.0000 51969.3748 -109855.7288 298.6687 -161825.1036 -109487.6596 298.7664 66.0974 85.4610 760056.5995 7.2044 7.2409 PRESSURE: 2290400 -208.481 159.398 -151.712 159.397 -187.369 127.859 -151.711 127.859 -485.19 GPRESSURE: 2290400 -198.892 -9.04022 -40.5849 158.995 -168.62 114.088 -115.153 128.739 -449.202 PRESSAVG: 2290400 27.2647 3.63667 -20.5631 3.63669 16.529 33.6465 -20.5631 33.6465 -6.26516 GPRESSAVG: 2290400 26.8219 3.61958 -18.6125 4.05522 16.9927 34.1503 -19.0798 33.3602 -5.94564 TIMING: 2290400 CPU: 7232.63, 0.00317074/step Wall: 7232.63, 0.00317074/step, 2.38651 hours remaining, 240.351562 MB of memory in use. ENERGY: 2290400 3988.5419 20485.1124 14397.3739 268.1042 -203110.6742 2333.6262 0.0000 0.0000 51778.5775 -109859.3380 297.5722 -161637.9156 -109500.5066 298.5214 -293.6799 -272.2379 762347.8680 12.5095 12.6230 PRESSURE: 2290600 56.5822 -184.231 -20.8875 -184.23 -53.1588 16.1622 -20.8875 16.1633 -113.214 GPRESSURE: 2290600 141.284 -244.438 -51.487 25.8568 -6.84944 -25.1142 57.9874 -29.5224 -167.045 PRESSAVG: 2290600 10.6149 -10.278 67.1791 -10.278 -4.92499 11.9475 67.1791 11.9476 12.8543 GPRESSAVG: 2290600 10.5609 -11.661 64.7202 -10.2331 -4.80817 11.5358 67.8149 10.2068 12.7818 TIMING: 2290600 CPU: 7233.26, 0.00316303/step Wall: 7233.26, 0.00316303/step, 2.38053 hours remaining, 240.351562 MB of memory in use. ENERGY: 2290600 3977.2868 20347.5263 14491.7489 250.9365 -203286.7460 2494.7570 0.0000 0.0000 51908.4673 -109816.0233 298.3187 -161724.4906 -109449.3437 298.1796 -36.5970 -10.8702 761229.2191 6.1814 6.1782 PRESSURE: 2290800 92.5148 92.3102 -144.677 92.3098 -188.642 -86.1447 -144.678 -86.1442 -49.36 GPRESSURE: 2290800 104.618 91.6222 -111.949 98.4869 -103.216 -100.985 -231.626 5.87796 -67.2973 PRESSAVG: 2290800 -9.21667 2.94387 -41.8567 2.94378 31.639 -26.9173 -41.8567 -26.9172 11.7008 GPRESSAVG: 2290800 -9.73014 3.4321 -40.7883 0.503148 31.5897 -26.581 -42.7383 -25.5444 13.0843 TIMING: 2290800 CPU: 7233.89, 0.00316961/step Wall: 7233.89, 0.00316961/step, 2.38531 hours remaining, 240.351562 MB of memory in use. ENERGY: 2290800 3962.1569 20404.2004 14464.5270 227.0927 -203399.6250 2501.0624 0.0000 0.0000 51774.0278 -110066.5578 297.5460 -161840.5856 -109713.2712 297.8875 -48.4958 -21.9650 760970.8564 11.3744 11.6480 PRESSURE: 2291000 -140.277 152.733 132.444 152.734 309.075 38.1902 132.444 38.19 55.7387 GPRESSURE: 2291000 -151.165 202.113 132.288 147.795 369.2 62.7434 109.283 -8.51661 70.1313 PRESSAVG: 2291000 -11.3044 -25.2136 -19.9131 -25.2137 37.4766 31.8291 -19.9132 31.8291 13.0548 GPRESSAVG: 2291000 -9.99877 -22.9849 -20.501 -24.9243 37.4329 30.5002 -18.6127 34.2236 12.2741 TIMING: 2291000 CPU: 7234.53, 0.0032028/step Wall: 7234.53, 0.0032028/step, 2.41011 hours remaining, 240.351562 MB of memory in use. ENERGY: 2291000 3983.0155 20583.1423 14439.3257 248.3533 -203692.1602 2593.8125 0.0000 0.0000 51715.8988 -110128.6121 297.2120 -161844.5109 -109780.8258 297.2476 74.8455 96.0554 759962.9739 13.0756 13.2361 PRESSURE: 2291200 190.478 -192.671 -43.0801 -192.673 -146.658 -278.838 -43.0802 -278.838 -306.897 GPRESSURE: 2291200 153.831 -304.123 -13.6897 -65.7302 -111.25 -283.55 -130.071 -224.787 -235.648 PRESSAVG: 2291200 20.7066 -39.9997 8.26623 -39.9996 -36.1288 -28.1002 8.26618 -28.1002 8.03287 GPRESSAVG: 2291200 19.6835 -43.6482 7.79467 -37.0488 -35.9291 -25.7565 6.69496 -29.5567 9.10375 TIMING: 2291200 CPU: 7235.16, 0.00315165/step Wall: 7235.16, 0.00315165/step, 2.37144 hours remaining, 240.351562 MB of memory in use. ENERGY: 2291200 3927.5003 20423.2422 14474.6054 275.0099 -203592.6501 2540.5318 0.0000 0.0000 51809.8935 -110141.8670 297.7522 -161951.7606 -109782.0846 297.9447 -87.6925 -64.3555 759035.0512 -2.4631 -2.3806 PRESSURE: 2291400 -147.992 -41.1315 14.0007 -41.1309 190.923 210.435 14.0007 210.435 -578.629 GPRESSURE: 2291400 -102.078 -36.0916 -16.359 17.1235 201.42 171.961 76.8288 159.37 -537.714 PRESSAVG: 2291400 48.4605 7.98114 -0.726106 7.98116 -37.1128 -28.773 -0.726043 -28.7731 23.9613 GPRESSAVG: 2291400 48.7667 10.4134 0.374627 6.57003 -36.5228 -29.8238 1.93694 -28.3488 23.5386 TIMING: 2291400 CPU: 7235.8, 0.00317046/step Wall: 7235.8, 0.00317046/step, 2.38542 hours remaining, 240.351562 MB of memory in use. ENERGY: 2291400 3962.5129 20545.7960 14411.9363 248.6509 -203455.2466 2697.3185 0.0000 0.0000 51826.7690 -109762.2629 297.8492 -161589.0319 -109407.6588 298.2725 -178.5661 -146.1239 759188.9507 11.7697 11.9275 PRESSURE: 2291600 100.15 226.625 16.6907 226.626 -89.458 39.8197 16.6909 39.8202 71.1481 GPRESSURE: 2291600 199.494 119.641 -21.7591 96.6144 -130.632 74.6447 -18.5709 -72.1699 100.667 PRESSAVG: 2291600 16.5451 -29.7213 -0.105022 -29.7213 4.57678 21.9493 -0.105009 21.9494 -11.44 GPRESSAVG: 2291600 16.877 -29.7041 -0.239946 -31.4775 3.21039 23.0237 -1.96611 18.5693 -10.6967 TIMING: 2291600 CPU: 7236.44, 0.00320752/step Wall: 7236.44, 0.00320752/step, 2.41312 hours remaining, 240.351562 MB of memory in use. ENERGY: 2291600 4005.0620 20324.1690 14533.2400 254.7490 -203696.3688 2727.8677 0.0000 0.0000 52129.4141 -109721.8669 299.5885 -161851.2810 -109356.8782 298.9074 27.2800 56.5096 759233.1952 3.2273 3.1302 PRESSURE: 2291800 -172.865 115.759 27.9861 115.758 -304.166 199.704 27.986 199.705 230.464 GPRESSURE: 2291800 -213.639 199.579 18.6928 87.7602 -183.415 260.24 -20.4829 142.103 245.92 PRESSAVG: 2291800 -2.92269 3.25388 1.91921 3.25393 11.5785 20.6737 1.91921 20.6738 1.94396 GPRESSAVG: 2291800 -2.3589 4.67822 2.92523 4.32013 12.3725 20.2017 0.318769 23.6072 0.916563 TIMING: 2291800 CPU: 7237.08, 0.00318556/step Wall: 7237.08, 0.00318556/step, 2.39643 hours remaining, 240.351562 MB of memory in use. ENERGY: 2291800 3872.7879 20549.4675 14478.2709 236.3662 -202895.4546 2259.8819 0.0000 0.0000 52150.2064 -109348.4738 299.7080 -161498.6803 -108982.8954 298.9452 -82.1889 -50.3779 760626.4573 3.5333 3.6434 PRESSURE: 2292000 333.579 56.2631 -148.478 56.2633 65.8696 -43.9373 -148.479 -43.9375 96.2163 GPRESSURE: 2292000 251.638 -43.1543 -170.233 66.7187 161.722 53.3995 -96.2406 -56.0212 153.281 PRESSAVG: 2292000 -27.4009 3.00966 -41.8386 3.00969 11.6056 -18.9279 -41.8387 -18.9279 -8.15164 GPRESSAVG: 2292000 -29.4227 1.83315 -42.0422 1.45568 12.5049 -19.8554 -41.2928 -19.7973 -7.40407 TIMING: 2292000 CPU: 7237.71, 0.00317272/step Wall: 7237.71, 0.00317272/step, 2.38659 hours remaining, 240.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2292000 4036.2355 20591.6382 14452.0398 227.1425 -203315.8281 2395.2086 0.0000 0.0000 52177.4254 -109436.1381 299.8644 -161613.5635 -109081.1650 299.3788 165.2215 188.8803 759978.8474 -7.9823 -8.1073 PRESSURE: 2292200 -191.059 77.7153 116.797 77.715 172.312 25.5251 116.798 25.5254 -18.0204 GPRESSURE: 2292200 -115.855 106.769 111.602 6.66112 225.765 47.9709 251.518 49.1374 -64.2958 PRESSAVG: 2292200 3.57066 5.08403 -80.9642 5.08399 -10.2612 -44.8913 -80.9642 -44.8913 -3.95523 GPRESSAVG: 2292200 4.43093 3.77218 -81.9331 5.57447 -10.0568 -44.3909 -79.1206 -45.0674 -4.98851 TIMING: 2292200 CPU: 7238.35, 0.00317523/step Wall: 7238.35, 0.00317523/step, 2.3883 hours remaining, 240.351562 MB of memory in use. ENERGY: 2292200 4039.8029 20478.7474 14441.8508 233.0454 -203884.9501 2963.0415 0.0000 0.0000 52495.3479 -109233.1142 301.6915 -161728.4621 -108868.0937 299.7497 -12.2558 15.2045 760740.7432 -3.5486 -3.5381 LDB: ============= START OF LOAD BALANCING ============== 7250.75 LDB: ============== END OF LOAD BALANCING =============== 7250.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7250.75 LDB: ============= START OF LOAD BALANCING ============== 7251.07 LDB: Largest compute 7034 load 0.034439 is 17.6% of average load 0.195890 LDB: Average compute 0.004396 is 2.2% of average load 0.195890 LDB: TIME 7251.07 LOAD: AVG 0.19589 MAX 0.215948 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 7251.07 LOAD: AVG 0.19589 MAX 0.215948 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 7251.07 LOAD: AVG 0.19589 MAX 0.215948 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 7251.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7251.08 PRESSURE: 2292400 68.018 112.31 31.2574 112.31 424.144 160.616 31.2568 160.617 -57.823 GPRESSURE: 2292400 105.329 129.39 56.5578 154.31 443.869 151.915 56.9156 108.826 -28.9196 PRESSAVG: 2292400 1.90712 38.8607 40.6115 38.8607 75.7574 10.1478 40.6115 10.1477 3.06965 GPRESSAVG: 2292400 1.26204 38.0869 42.2327 42.2698 75.277 8.18186 39.0493 12.837 3.81209 TIMING: 2292400 CPU: 7239, 0.00324428/step Wall: 7239, 0.00324428/step, 2.44006 hours remaining, 237.640625 MB of memory in use. ENERGY: 2292400 4004.4631 20643.2892 14434.6352 248.1312 -203285.8657 2822.2933 0.0000 0.0000 51933.6583 -109199.3954 298.4634 -161133.0537 -108844.4210 300.0651 144.7796 173.4263 760305.8161 26.9114 26.7837 PRESSURE: 2292600 -119.785 -47.5917 -34.8172 -47.5919 -437.38 -147.931 -34.818 -147.932 474.938 GPRESSURE: 2292600 34.9261 -74.788 -13.1606 -150.969 -417.594 -139.198 6.53642 -163.342 392.446 PRESSAVG: 2292600 -20.5061 -67.5074 -28.472 -67.5074 11.7963 -59.8024 -28.472 -59.8024 0.746969 GPRESSAVG: 2292600 -19.722 -67.7449 -30.5632 -68.4017 10.5962 -55.5861 -28.243 -62.6137 1.47907 TIMING: 2292600 CPU: 7239.62, 0.00312855/step Wall: 7239.62, 0.00312855/step, 2.35284 hours remaining, 237.843750 MB of memory in use. ENERGY: 2292600 4045.0730 20323.3292 14472.7143 256.1482 -202532.6744 2149.6675 0.0000 0.0000 52082.6401 -109203.1019 299.3196 -161285.7421 -108822.8123 299.4303 -27.4093 3.2593 760532.2552 -2.6543 -2.5489 PRESSURE: 2292800 173.206 134.878 -97.1857 134.877 17.9703 -32.1423 -97.1863 -32.1424 -6.16453 GPRESSURE: 2292800 125.428 75.4607 -69.6603 192.211 115.535 130.368 28.8474 27.9007 8.12531 PRESSAVG: 2292800 -20.0509 8.2868 33.555 8.28681 7.08441 -15.2344 33.555 -15.2343 8.20267 GPRESSAVG: 2292800 -21.0826 7.64939 34.4482 7.1973 8.45005 -17.0528 35.4808 -13.4051 7.69186 TIMING: 2292800 CPU: 7240.26, 0.00317092/step Wall: 7240.26, 0.00317092/step, 2.38453 hours remaining, 237.843750 MB of memory in use. ENERGY: 2292800 3838.6583 20625.2593 14459.0164 244.0507 -203007.3841 2423.7996 0.0000 0.0000 52052.3407 -109364.2591 299.1455 -161416.5998 -109002.2819 299.7420 61.6704 83.0294 762302.4759 -1.5879 -1.6469 PRESSURE: 2293000 35.0289 -13.1216 153.583 -13.1213 -136.405 -92.7839 153.583 -92.7853 77.9108 GPRESSURE: 2293000 103.962 11.9447 111.203 -63.8894 -121.031 -32.6223 -45.7308 -139.87 65.2894 PRESSAVG: 2293000 -16.0886 44.498 16.6284 44.4979 14.0894 -46.9355 16.6284 -46.9354 -23.3165 GPRESSAVG: 2293000 -16.175 45.2885 15.7269 45.8562 14.4282 -48.3627 13.4159 -45.403 -23.406 TIMING: 2293000 CPU: 7240.89, 0.00317014/step Wall: 7240.89, 0.00317014/step, 2.38377 hours remaining, 237.843750 MB of memory in use. ENERGY: 2293000 4015.1579 20406.3697 14387.3249 241.9130 -202871.8946 2381.4951 0.0000 0.0000 52102.1181 -109337.5159 299.4316 -161439.6340 -108967.7635 298.7601 -7.8217 16.0738 761391.4966 -8.4386 -8.3843 PRESSURE: 2293200 -265.329 21.5412 -216.409 21.5406 -84.9455 32.5708 -216.408 32.57 -454.597 GPRESSURE: 2293200 -253.061 60.4434 -240.939 75.8916 -48.7121 20.4046 -205.439 -41.0933 -414.728 PRESSAVG: 2293200 18.3866 33.2712 -10.2528 33.2711 4.37949 -49.001 -10.2527 -49.0011 -9.51141 GPRESSAVG: 2293200 18.6904 35.3067 -8.50204 31.8145 4.82897 -50.117 -8.64196 -51.9078 -10.2269 TIMING: 2293200 CPU: 7241.53, 0.00322235/step Wall: 7241.53, 0.00322235/step, 2.42285 hours remaining, 237.843750 MB of memory in use. ENERGY: 2293200 4037.9071 20415.8818 14416.8256 255.7528 -202790.1752 2252.3037 0.0000 0.0000 52031.4445 -109380.0597 299.0254 -161411.5042 -109026.7898 299.1608 -268.2906 -238.8337 760455.4859 4.4182 4.4308 PRESSURE: 2293400 72.0246 342.973 -196.769 342.973 99.509 -39.475 -196.769 -39.476 408.511 GPRESSURE: 2293400 213.843 292.475 -154.178 148.566 58.3889 -38.5166 -113.995 -85.7987 400.498 PRESSAVG: 2293400 41.8561 -3.01069 -7.48685 -3.01067 -5.34469 -81.687 -7.4869 -81.687 -2.90189 GPRESSAVG: 2293400 42.3953 -4.11304 -7.50539 -2.64729 -6.52441 -81.3516 -7.95678 -80.4924 -2.28466 TIMING: 2293400 CPU: 7242.17, 0.00315712/step Wall: 7242.17, 0.00315712/step, 2.37363 hours remaining, 237.843750 MB of memory in use. ENERGY: 2293400 3956.4015 20503.8041 14403.3002 260.9289 -203055.1302 2566.1144 0.0000 0.0000 51993.9530 -109370.6281 298.8100 -161364.5811 -109005.1899 299.1367 193.3484 224.2434 760308.1805 11.2032 11.1954 PRESSURE: 2293600 406.84 -71.0851 93.8016 -71.0846 -4.08252 27.3899 93.8016 27.3902 -185.734 GPRESSURE: 2293600 300.662 -102.674 70.39 -148.945 121.974 6.90931 151.038 37.3744 -107.485 PRESSAVG: 2293600 21.2564 -47.6432 -31.6839 -47.6431 -54.6259 -2.29954 -31.6839 -2.29958 1.6464 GPRESSAVG: 2293600 21.0687 -46.5483 -32.3831 -47.5718 -52.9916 -1.21807 -31.3793 -3.48874 0.599569 TIMING: 2293600 CPU: 7242.8, 0.00316323/step Wall: 7242.8, 0.00316323/step, 2.37805 hours remaining, 237.843750 MB of memory in use. ENERGY: 2293600 3947.9392 20495.1914 14451.3890 249.2127 -203209.2745 2692.4030 0.0000 0.0000 52104.9723 -109268.1669 299.4480 -161373.1392 -108903.3706 299.2263 72.3412 105.0502 761520.6775 -10.5744 -10.4411 PRESSURE: 2293800 -118.875 -153.062 59.8892 -153.062 43.8415 -287.083 59.89 -287.082 86.0736 GPRESSURE: 2293800 -25.0436 -191.625 106.791 -111.32 12.4273 -250.301 89.2288 -234.57 89.8382 PRESSAVG: 2293800 -2.39762 -24.8524 -53.1715 -24.8524 10.3433 -14.2104 -53.1716 -14.2104 8.77305 GPRESSAVG: 2293800 -3.44251 -25.2791 -52.7754 -25.1557 9.71107 -12.8812 -53.2191 -14.9392 10.3404 TIMING: 2293800 CPU: 7243.44, 0.00318847/step Wall: 7243.44, 0.00318847/step, 2.39684 hours remaining, 237.843750 MB of memory in use. ENERGY: 2293800 3937.8593 20670.6678 14496.8989 250.5942 -203338.6669 2599.8958 0.0000 0.0000 52041.7344 -109341.0167 299.0846 -161382.7510 -108983.0900 299.5039 3.6802 25.7406 759548.9383 5.5729 5.5363 PRESSURE: 2294000 -135.393 110.121 -73.3376 110.122 -14.2054 40.3298 -73.339 40.3291 -241.91 GPRESSURE: 2294000 -151.852 88.33 -126.276 229.007 16.8652 150.715 -62.6737 48.2346 -175.683 PRESSAVG: 2294000 6.32992 4.22661 2.69586 4.22661 -19.9796 -25.5543 2.6959 -25.5544 -14.8864 GPRESSAVG: 2294000 6.5799 3.08 1.30535 5.69766 -19.4196 -25.1821 2.7185 -23.3618 -15.7633 TIMING: 2294000 CPU: 7244.07, 0.00317586/step Wall: 7244.07, 0.00317586/step, 2.38719 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2294000 4042.3564 20483.4508 14488.7327 248.9780 -203047.8114 2492.8526 0.0000 0.0000 52031.8939 -109259.5470 299.0280 -161291.4409 -108900.5270 299.5772 -130.5025 -103.5566 763028.7881 -9.5120 -9.5343 PRESSURE: 2294200 -26.6339 -39.354 -60.3068 -39.3541 -41.6147 160.659 -60.3073 160.66 235.37 GPRESSURE: 2294200 -54.851 -98.7593 -100.732 -126.818 23.1316 155.023 -139.265 157.838 275.008 PRESSAVG: 2294200 -18.7732 25.7478 6.82827 25.7479 -6.94654 -24.2378 6.82834 -24.2379 32.7803 GPRESSAVG: 2294200 -18.6049 29.2106 8.04154 23.9077 -7.44104 -25.8957 7.02044 -25.735 32.9168 TIMING: 2294200 CPU: 7244.71, 0.00320876/step Wall: 7244.71, 0.00320876/step, 2.41174 hours remaining, 237.843750 MB of memory in use. ENERGY: 2294200 3993.2641 20629.0098 14449.2312 238.7310 -203243.7189 2486.9417 0.0000 0.0000 52040.2928 -109406.2484 299.0763 -161446.5412 -109048.7412 299.5002 55.7071 81.0962 762610.1606 2.3535 2.2903 PRESSURE: 2294400 37.6608 45.6517 0.824371 45.6518 518.327 -96.8549 0.824748 -96.8551 226.468 GPRESSURE: 2294400 121.461 -5.19122 77.5812 49.4205 458.852 -99.1248 -12.8687 -105.101 306.9 PRESSAVG: 2294400 -29.4671 -20.4034 2.96741 -20.4033 21.0428 19.793 2.96738 19.793 -35.0327 GPRESSAVG: 2294400 -28.7333 -22.582 1.61753 -18.6729 20.0024 19.691 2.13482 20.8028 -34.3132 TIMING: 2294400 CPU: 7245.35, 0.00318688/step Wall: 7245.35, 0.00318688/step, 2.39512 hours remaining, 237.843750 MB of memory in use. ENERGY: 2294400 3980.6936 20637.7390 14430.5996 261.2265 -203191.1779 2677.2641 0.0000 0.0000 51814.7620 -109388.8932 297.7801 -161203.6552 -109038.8514 298.9272 260.8186 295.7377 760532.6952 -14.4857 -14.3480 PRESSURE: 2294600 -172.578 -53.3667 -173.14 -53.3666 305.663 -0.644526 -173.14 -0.644026 -239.442 GPRESSURE: 2294600 -182.186 -73.9825 -194.317 -31.8442 316.963 62.8673 -51.3351 -184.045 -148.863 PRESSAVG: 2294600 26.7399 17.5005 -43.8033 17.5005 -12.8155 -26.095 -43.8032 -26.0949 -15.9166 GPRESSAVG: 2294600 27.0586 15.5324 -43.5791 16.4482 -13.0548 -26.4637 -41.3969 -24.826 -15.7135 TIMING: 2294600 CPU: 7245.99, 0.00319453/step Wall: 7245.99, 0.00319453/step, 2.40069 hours remaining, 237.843750 MB of memory in use. ENERGY: 2294600 3913.5369 20647.4891 14483.3455 253.7170 -202678.8679 2173.8583 0.0000 0.0000 52072.1886 -109134.7325 299.2596 -161206.9211 -108771.9852 299.4547 -35.4527 -4.6952 761476.5052 -0.6641 -0.5699 PRESSURE: 2294800 -323.473 -49.8242 -14.0896 -49.8248 -151.671 121.061 -14.0892 121.062 303.186 GPRESSURE: 2294800 -291.476 -72.4698 65.8192 -22.4991 -132.732 102.479 74.3932 -8.37127 326.814 PRESSAVG: 2294800 -16.0973 74.75 -25.4885 74.7501 8.04017 3.52324 -25.4886 3.52326 7.13543 GPRESSAVG: 2294800 -17.6315 75.7522 -24.812 74.1951 10.1874 3.84827 -26.2748 0.906728 6.58693 TIMING: 2294800 CPU: 7246.63, 0.00322608/step Wall: 7246.63, 0.00322608/step, 2.42422 hours remaining, 237.843750 MB of memory in use. ENERGY: 2294800 3980.0489 20463.5329 14453.4423 254.5513 -203057.8088 2596.9271 0.0000 0.0000 52227.8159 -109081.4905 300.1540 -161309.3064 -108723.0463 299.6650 -57.3195 -32.4647 761290.5561 -0.3072 -0.2857 PRESSURE: 2295000 -117.911 -144.626 86.8241 -144.627 -32.1619 97.7113 86.8242 97.7111 -82.8268 GPRESSURE: 2295000 -136.393 -81.4425 53.2339 -16.4535 -3.26432 92.0829 135.24 221.967 -1.65319 PRESSAVG: 2295000 50.6891 -15.3037 19.275 -15.3037 -65.7584 0.413715 19.275 0.413757 -11.4336 GPRESSAVG: 2295000 51.8842 -13.908 21.4258 -14.1774 -67.5398 0.968319 17.4723 2.4214 -11.2467 TIMING: 2295000 CPU: 7247.28, 0.00322773/step Wall: 7247.28, 0.00322773/step, 2.42528 hours remaining, 237.843750 MB of memory in use. ENERGY: 2295000 4000.5089 20378.8462 14466.9501 243.7681 -203139.6082 2686.2631 0.0000 0.0000 52248.0679 -109115.2039 300.2704 -161363.2718 -108752.4573 299.6331 -77.6334 -47.1036 762477.8657 -8.8343 -8.9675 PRESSURE: 2295200 -297.399 -33.0447 -51.0624 -33.0444 286.191 33.4401 -51.0618 33.4397 265.505 GPRESSURE: 2295200 -134.176 56.3963 -95.828 -58.9087 251.754 14.4995 108.704 104.77 226.758 PRESSAVG: 2295200 31.4056 -23.1434 60.3706 -23.1434 38.2766 -31.6227 60.3706 -31.6227 8.71181 GPRESSAVG: 2295200 31.7014 -22.9567 57.9699 -23.6847 39.1545 -32.0572 62.6567 -33.0627 7.71623 TIMING: 2295200 CPU: 7247.92, 0.00320361/step Wall: 7247.92, 0.00320361/step, 2.40698 hours remaining, 237.843750 MB of memory in use. ENERGY: 2295200 3971.1369 20590.2178 14388.1189 243.3782 -203134.8741 2593.9862 0.0000 0.0000 52199.4155 -109148.6206 299.9908 -161348.0361 -108787.7583 299.6724 84.7659 114.7787 761903.8633 26.1313 26.1907 PRESSURE: 2295400 -368.861 37.0626 333.715 37.0616 313.376 -142.307 333.715 -142.308 259.873 GPRESSURE: 2295400 -262.319 -21.7138 337.188 -9.13506 296.584 -108.876 189.135 44.2288 246.977 PRESSAVG: 2295400 -16.6513 -34.5654 3.89283 -34.5654 13.3656 -37.4805 3.89278 -37.4805 24.5805 GPRESSAVG: 2295400 -16.0399 -35.4584 3.67581 -34.1698 12.5231 -36.2506 2.54995 -36.3586 24.5577 TIMING: 2295400 CPU: 7248.57, 0.00323053/step Wall: 7248.57, 0.00323053/step, 2.42702 hours remaining, 237.843750 MB of memory in use. ENERGY: 2295400 4015.1937 20558.1819 14436.2372 239.5475 -203297.9703 2662.6316 0.0000 0.0000 52163.2462 -109222.9322 299.7829 -161386.1784 -108860.4129 299.4619 68.1291 93.7472 761582.6839 7.0983 7.0136 PRESSURE: 2295600 -56.4437 -69.4921 275.538 -69.4922 16.1423 171.453 275.538 171.452 -99.5401 GPRESSURE: 2295600 -148.862 -159.177 292.304 -5.89257 154.593 185.514 284.862 25.4252 -61.8106 PRESSAVG: 2295600 13.7258 26.239 0.66676 26.239 -17.4165 -29.845 0.666769 -29.845 -23.5939 GPRESSAVG: 2295600 12.6662 26.1769 1.9281 27.7902 -16.4957 -30.1252 -0.705931 -31.5691 -23.2769 TIMING: 2295600 CPU: 7249.21, 0.00323683/step Wall: 7249.21, 0.00323683/step, 2.43158 hours remaining, 237.843750 MB of memory in use. ENERGY: 2295600 3966.0655 20539.5163 14533.9650 232.4189 -203537.8508 2919.8204 0.0000 0.0000 52134.2235 -109211.8413 299.6161 -161346.0647 -108853.5335 299.6631 -46.6138 -18.6933 761974.1064 -9.0949 -9.0355 PRESSURE: 2295800 175.48 228.267 56.7892 228.267 161.569 -194.879 56.7902 -194.879 -134.659 GPRESSURE: 2295800 178.213 112.737 75.9234 203.665 140.154 -138.22 105.146 -138.92 -26.943 PRESSAVG: 2295800 -26.5327 -25.4667 -33.2406 -25.4667 13.398 -50.1772 -33.2406 -50.1772 -18.9809 GPRESSAVG: 2295800 -26.3705 -23.1053 -34.5655 -29.8822 12.5111 -48.6154 -29.853 -50.4807 -18.8738 TIMING: 2295800 CPU: 7249.86, 0.0032357/step Wall: 7249.86, 0.0032357/step, 2.43055 hours remaining, 237.843750 MB of memory in use. ENERGY: 2295800 4033.1651 20602.3249 14486.6887 245.4424 -203461.5969 2651.5896 0.0000 0.0000 52245.1268 -109197.2594 300.2535 -161442.3862 -108840.4777 299.5529 67.4633 97.1413 762020.1602 -10.7052 -10.9110 PRESSURE: 2296000 87.9995 -160.466 104.953 -160.467 -126.092 88.6804 104.952 88.6803 193.517 GPRESSURE: 2296000 77.6634 -169.197 34.415 -249.241 -2.71835 123.891 14.516 68.2984 170.463 PRESSAVG: 2296000 30.7289 -17.3607 -20.8589 -17.3606 -34.8423 -52.1005 -20.8587 -52.1005 9.91752 GPRESSAVG: 2296000 30.9814 -18.6667 -20.2597 -13.6472 -33.9141 -54.5172 -24.06 -52.3373 8.92599 TIMING: 2296000 CPU: 7250.51, 0.00326272/step Wall: 7250.51, 0.00326272/step, 2.45066 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2296000 3966.4837 20800.5991 14531.4230 253.5112 -203392.1983 2430.3961 0.0000 0.0000 52052.8514 -109356.9339 299.1485 -161409.7853 -109007.3941 299.6838 51.8079 81.8027 760714.6902 1.9347 1.9977 PRESSURE: 2296200 -363.041 -13.3454 28.5465 -13.3464 -176.196 125.835 28.547 125.837 35.6339 GPRESSURE: 2296200 -307.135 -18.204 5.93106 -81.8943 -146.329 106.921 66.0398 16.4815 28.6163 PRESSAVG: 2296200 59.244 19.505 10.207 19.505 -52.3632 -32.5039 10.207 -32.5039 -6.59246 GPRESSAVG: 2296200 57.5058 19.1529 9.01228 19.7254 -51.2326 -32.3999 10.9113 -32.1487 -6.19331 TIMING: 2296200 CPU: 7251.16, 0.00324691/step Wall: 7251.16, 0.00324691/step, 2.43861 hours remaining, 237.843750 MB of memory in use. ENERGY: 2296200 4057.8207 20589.3187 14416.5374 240.6196 -203411.5435 2462.3248 0.0000 0.0000 52228.9808 -109415.9416 300.1607 -161644.9224 -109055.4043 299.6056 -167.8677 -141.6160 760199.7488 0.0961 0.0266 LDB: ============= START OF LOAD BALANCING ============== 7263.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7263.57 LDB: =============== DONE WITH MIGRATION ================ 7263.57 LDB: ============= START OF LOAD BALANCING ============== 7263.9 LDB: Largest compute 7034 load 0.036235 is 18.5% of average load 0.196008 LDB: Average compute 0.004370 is 2.2% of average load 0.196008 LDB: TIME 7263.9 LOAD: AVG 0.196008 MAX 0.214587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.543 MB LDB: TIME 7263.9 LOAD: AVG 0.196008 MAX 0.214587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.75 MB LDB: TIME 7263.9 LOAD: AVG 0.196008 MAX 0.214587 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.75 MB LDB: ============== END OF LOAD BALANCING =============== 7263.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7263.91 PRESSURE: 2296400 -303.313 -22.2314 -183.243 -22.2311 -222.097 125.458 -183.243 125.458 -610.295 GPRESSURE: 2296400 -192.761 -75.0202 -150.553 -0.917314 -301.011 117.675 -182.045 58.0263 -562.881 PRESSAVG: 2296400 37.4888 -17.341 1.37745 -17.341 6.07323 -9.19352 1.37745 -9.19352 -7.46993 GPRESSAVG: 2296400 39.052 -16.6578 2.33588 -18.6551 3.94506 -9.08287 2.91339 -7.61962 -6.45509 TIMING: 2296400 CPU: 7251.82, 0.00331195/step Wall: 7251.82, 0.00331195/step, 2.48727 hours remaining, 238.796875 MB of memory in use. ENERGY: 2296400 4015.0006 20619.3742 14479.6033 256.9913 -202843.8188 2108.9115 0.0000 0.0000 52022.2474 -109341.6904 298.9726 -161363.9379 -108980.9406 299.3877 -378.5682 -352.2179 761695.2973 12.0307 12.1807 PRESSURE: 2296600 -363.27 -50.2787 109.074 -50.2792 99.9031 -9.32701 109.074 -9.32693 -68.0711 GPRESSURE: 2296600 -353.502 -55.3972 129.165 -69.4401 126.379 35.4798 -53.3398 -6.42011 -25.0448 PRESSAVG: 2296600 54.4973 -0.615464 10.492 -0.615451 -46.7769 -36.7396 10.4919 -36.7396 4.40633 GPRESSAVG: 2296600 54.1839 -0.985635 10.55 -0.106378 -45.9796 -35.3742 8.35163 -40.0991 4.0906 TIMING: 2296600 CPU: 7252.47, 0.00323181/step Wall: 7252.47, 0.00323181/step, 2.42691 hours remaining, 238.796875 MB of memory in use. ENERGY: 2296600 4020.3907 20383.6622 14432.4591 254.5878 -203172.6351 2493.0131 0.0000 0.0000 52263.5828 -109324.9394 300.3595 -161588.5222 -108958.7713 299.0905 -110.4795 -84.0557 759977.4758 4.0423 4.0983 PRESSURE: 2296800 -29.9545 -1.98087 34.6119 -1.98049 14.0205 66.478 34.6122 66.4777 67.215 GPRESSURE: 2296800 17.2728 49.7181 23.6768 34.5739 41.6882 155.938 121.128 -41.9491 78.5349 PRESSAVG: 2296800 56.4684 7.02543 16.4521 7.02543 1.75898 -51.865 16.4521 -51.865 24.3606 GPRESSAVG: 2296800 56.1059 6.85288 16.8783 6.01519 2.13748 -53.151 17.9683 -48.5477 23.8193 TIMING: 2296800 CPU: 7253.12, 0.00322881/step Wall: 7253.12, 0.00322881/step, 2.42448 hours remaining, 238.796875 MB of memory in use. ENERGY: 2296800 3944.7206 20424.8294 14445.5356 265.9048 -202911.0474 2373.4588 0.0000 0.0000 52066.5984 -109389.9997 299.2275 -161456.5980 -109032.0120 299.3493 17.0937 45.8320 761250.5444 27.5293 27.3542 PRESSURE: 2297000 160.927 18.4465 374.232 18.4468 16.1337 61.3109 374.232 61.311 187.597 GPRESSURE: 2297000 231.669 22.0938 323.45 22.3578 3.83941 91.5867 203.579 211.878 190.463 PRESSAVG: 2297000 14.8428 -10.4674 -15.253 -10.4673 13.0428 -32.1009 -15.253 -32.1009 -6.13329 GPRESSAVG: 2297000 16.6711 -11.3951 -15.6603 -7.95675 12.074 -33.3333 -15.8365 -35.052 -6.83044 TIMING: 2297000 CPU: 7253.76, 0.00318952/step Wall: 7253.76, 0.00318952/step, 2.3948 hours remaining, 238.796875 MB of memory in use. ENERGY: 2297000 3938.1713 20735.6692 14427.2694 253.8178 -203321.8309 2330.7262 0.0000 0.0000 52259.3939 -109376.7832 300.3355 -161636.1770 -109006.6634 299.1679 121.5527 141.9905 758832.6368 7.2508 7.3049 PRESSURE: 2297200 -12.196 74.6061 -314.049 74.606 117.461 -81.5765 -314.047 -81.577 450.801 GPRESSURE: 2297200 61.8037 97.5968 -287.319 118.674 106.52 -94.2873 -125.058 -25.9998 469.171 PRESSAVG: 2297200 79.0432 2.54997 -2.50619 2.54991 -43.9643 4.32848 -2.50612 4.32841 25.6867 GPRESSAVG: 2297200 77.8833 3.45475 -3.24188 0.0732601 -44.0533 6.30765 -0.697071 6.11338 26.8618 TIMING: 2297200 CPU: 7254.39, 0.00317865/step Wall: 7254.39, 0.00317865/step, 2.38646 hours remaining, 238.796875 MB of memory in use. ENERGY: 2297200 3927.3917 20582.6413 14450.6612 249.3778 -203413.3107 2756.0492 0.0000 0.0000 52312.2491 -109134.9403 300.6392 -161447.1894 -108771.5990 299.7449 185.3555 212.4983 760441.1900 20.2552 20.2306 PRESSURE: 2297400 -484.45 -1.23416 49.2794 -1.23427 43.0805 -220.669 49.2799 -220.668 -245.418 GPRESSURE: 2297400 -281.29 -25.3714 151.688 -19.1247 -38.7562 -283.784 -18.9584 -148.298 -275.543 PRESSAVG: 2297400 17.5851 -47.9241 -34.6522 -47.924 -10.3572 16.9311 -34.6523 16.9311 -35.6964 GPRESSAVG: 2297400 17.5136 -48.8575 -32.1651 -48.1312 -10.1723 16.4586 -36.7761 17.7348 -35.357 TIMING: 2297400 CPU: 7255.02, 0.00317117/step Wall: 7255.02, 0.00317117/step, 2.38066 hours remaining, 238.796875 MB of memory in use. ENERGY: 2297400 3918.3957 20531.1297 14473.5312 240.2869 -202757.9849 2168.2054 0.0000 0.0000 52142.6688 -109283.7674 299.6646 -161426.4362 -108918.4672 299.6216 -228.9292 -198.5300 762548.6808 -9.4895 -9.3386 PRESSURE: 2297600 381.755 -35.9385 5.89237 -35.9388 551.805 118.61 5.89216 118.609 570.405 GPRESSURE: 2297600 426.6 -47.3448 56.1563 -77.6176 566.534 116.433 -28.3211 85.9789 608.29 PRESSAVG: 2297600 30.1288 -15.3276 -25.8314 -15.3276 -33.9285 13.3403 -25.8314 13.3403 -0.017205 GPRESSAVG: 2297600 31.2121 -15.4799 -28.6375 -14.1483 -33.9432 12.3697 -23.9036 11.7782 -1.1292 TIMING: 2297600 CPU: 7255.66, 0.00319462/step Wall: 7255.66, 0.00319462/step, 2.39809 hours remaining, 238.796875 MB of memory in use. ENERGY: 2297600 3981.9716 20667.2344 14475.6072 251.6239 -203343.0736 2701.6806 0.0000 0.0000 52112.9785 -109151.9775 299.4940 -161264.9560 -108798.6764 299.5793 501.3219 533.8081 761383.1349 -1.2723 -1.2868 PRESSURE: 2297800 25.8506 -7.97551 61.775 -7.97568 367.349 44.2863 61.7745 44.2858 52.361 GPRESSURE: 2297800 143.769 6.34121 119.954 -34.7644 238.166 134.538 -35.3251 -2.12525 155.197 PRESSAVG: 2297800 30.7236 24.7278 -13.3142 24.7278 -7.60218 -32.763 -13.3142 -32.7631 1.79912 GPRESSAVG: 2297800 29.9242 25.1935 -12.7003 22.3726 -8.01154 -31.4283 -13.4632 -30.939 3.26875 TIMING: 2297800 CPU: 7256.31, 0.00320636/step Wall: 7256.31, 0.00320636/step, 2.40673 hours remaining, 238.796875 MB of memory in use. ENERGY: 2297800 3976.0403 20697.5958 14469.5353 256.6524 -203511.3228 2533.9585 0.0000 0.0000 52457.5650 -109119.9756 301.4743 -161577.5406 -108757.3211 299.9710 148.5201 179.0442 760024.5379 8.3069 8.3938 PRESSURE: 2298000 -48.2695 -237.574 28.8154 -237.574 -6.61633 -163.449 28.8172 -163.449 -120.159 GPRESSURE: 2298000 -9.18568 -152.758 58.799 -211.536 -0.114386 -124.834 -51.027 -321.237 -84.7923 PRESSAVG: 2298000 27.2697 0.977473 -4.07342 0.977502 -7.05834 -1.94881 -4.07339 -1.94872 20.3636 GPRESSAVG: 2298000 27.054 -0.164269 -3.27951 2.66191 -7.09459 -3.42689 -7.01669 -3.0617 20.4573 TIMING: 2298000 CPU: 7256.95, 0.00320209/step Wall: 7256.95, 0.00320209/step, 2.40335 hours remaining, 238.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2298000 3947.0117 20595.2114 14445.0584 244.9297 -203159.3355 2468.0757 0.0000 0.0000 52193.2142 -109265.8344 299.9551 -161459.0486 -108895.1042 299.7869 -58.3484 -31.3641 761799.6653 13.5250 13.4722 PRESSURE: 2298200 129.379 115.267 -36.3826 115.268 -100.114 -84.9661 -36.3817 -84.9675 418.184 GPRESSURE: 2298200 317.836 150.509 -61.1336 110.533 -60.304 7.16742 88.1165 -33.3752 295.893 PRESSAVG: 2298200 -29.6181 7.42307 15.2271 7.42306 17.612 28.5439 15.2271 28.5439 7.33769 GPRESSAVG: 2298200 -27.4308 8.36582 14.6575 7.24659 18.7976 29.5513 16.6803 28.8696 4.11061 TIMING: 2298200 CPU: 7257.58, 0.00318535/step Wall: 7257.58, 0.00318535/step, 2.39061 hours remaining, 238.796875 MB of memory in use. ENERGY: 2298200 3934.6666 20708.8410 14446.3017 246.2731 -203362.6126 2835.3964 0.0000 0.0000 52063.7685 -109127.3652 299.2112 -161191.1338 -108768.2038 299.8647 149.1497 184.4749 761154.1827 -1.5562 -1.5076 PRESSURE: 2298400 179.728 -103.192 -117.657 -103.191 -41.0907 5.39499 -117.658 5.39583 234.392 GPRESSURE: 2298400 188.995 -157.149 -167.392 -85.0731 -6.5155 -4.21367 -55.8612 -3.77705 275.914 PRESSAVG: 2298400 39.1567 -11.335 6.41168 -11.335 -57.7095 53.0032 6.41167 53.0032 -15.2155 GPRESSAVG: 2298400 37.0342 -11.1222 5.89881 -11.0195 -58.2603 52.2797 7.4565 53.5144 -12.9902 TIMING: 2298400 CPU: 7258.23, 0.00323156/step Wall: 7258.23, 0.00323156/step, 2.42511 hours remaining, 238.796875 MB of memory in use. ENERGY: 2298400 4034.7278 20633.8848 14511.6193 243.4209 -203345.1709 2580.7674 0.0000 0.0000 52352.8978 -108987.8529 300.8728 -161340.7507 -108629.1332 300.0440 124.3433 152.7976 761182.1189 -11.2561 -11.4054 PRESSURE: 2298600 -4.1449 8.65169 -6.92697 8.65216 -104.575 129.401 -6.92655 129.401 -135.257 GPRESSURE: 2298600 13.5563 -19.7182 -44.4037 15.353 6.32639 -15.392 -17.6973 97.2743 -175.375 PRESSAVG: 2298600 11.1673 -0.729143 18.3082 -0.729111 -39.7982 -1.90637 18.3082 -1.90641 20.1717 GPRESSAVG: 2298600 11.6215 -1.17246 18.554 -0.977964 -40.1708 -2.95589 18.0274 -1.21104 20.6164 TIMING: 2298600 CPU: 7258.87, 0.00320339/step Wall: 7258.87, 0.00320339/step, 2.40379 hours remaining, 238.796875 MB of memory in use. ENERGY: 2298600 3965.2383 20541.5072 14445.3326 239.2699 -203145.7820 2558.3152 0.0000 0.0000 52038.6647 -109357.4540 299.0669 -161396.1188 -108986.3420 299.8480 -81.3259 -51.8308 761944.6036 -2.8198 -2.6443 PRESSURE: 2298800 42.5922 -222.312 79.3546 -222.312 130.394 -33.1974 79.3542 -33.1972 263.536 GPRESSURE: 2298800 84.4294 -214.651 124.525 -207.728 167.846 53.0841 47.2697 -30.8356 265.166 PRESSAVG: 2298800 19.9691 37.6457 40.4543 37.6457 1.82833 25.2021 40.4543 25.2022 6.16939 GPRESSAVG: 2298800 20.4582 37.5458 42.0357 37.763 2.13464 26.9044 39.2415 24.0931 5.37564 TIMING: 2298800 CPU: 7259.51, 0.00320397/step Wall: 7259.51, 0.00320397/step, 2.40404 hours remaining, 238.796875 MB of memory in use. ENERGY: 2298800 3942.9993 20665.7247 14488.4807 246.0373 -202962.3216 2552.5342 0.0000 0.0000 52127.8679 -108938.6774 299.5796 -161066.5452 -108573.8219 299.5254 145.5074 172.4806 762061.6345 9.3223 9.3228 PRESSURE: 2299000 -176.798 47.9044 -118.756 47.9034 -173.936 138.239 -118.755 138.24 -4.41994 GPRESSURE: 2299000 -152.857 128.665 -145.697 22.5439 -106.178 75.5428 -82.6376 137.082 -12.238 PRESSAVG: 2299000 9.69654 8.26075 4.20267 8.26074 -4.16141 40.5668 4.20265 40.5668 -20.6668 GPRESSAVG: 2299000 10.5462 8.26583 5.38638 8.24298 -5.16588 39.4642 4.3399 42.5051 -20.2198 TIMING: 2299000 CPU: 7260.15, 0.0032222/step Wall: 7260.15, 0.0032222/step, 2.41755 hours remaining, 238.796875 MB of memory in use. ENERGY: 2299000 4049.3336 20597.9116 14502.7634 252.0618 -203226.7038 2466.4631 0.0000 0.0000 52251.3943 -109106.7760 300.2895 -161358.1704 -108731.1495 300.3163 -118.3846 -90.4245 761901.9306 -5.0439 -4.9465 PRESSURE: 2299200 380.214 63.2328 -6.43938 63.2327 71.806 33.0728 -6.43991 33.0728 -95.253 GPRESSURE: 2299200 394.728 41.5386 -40.0808 100.022 182.675 -39.8024 -47.4047 46.5283 -128.237 PRESSAVG: 2299200 21.2617 35.5718 10.8935 35.5717 -16.8445 43.7467 10.8935 43.7467 4.35708 GPRESSAVG: 2299200 20.3322 36.0645 8.94948 35.9374 -15.5154 44.0355 11.3394 42.1841 4.17085 TIMING: 2299200 CPU: 7260.8, 0.00323976/step Wall: 7260.8, 0.00323976/step, 2.43054 hours remaining, 238.796875 MB of memory in use. ENERGY: 2299200 3971.8826 20683.3688 14445.7708 277.6800 -203364.5073 2418.0103 0.0000 0.0000 52350.4234 -109217.3714 300.8586 -161567.7948 -108844.9855 300.2707 118.9224 149.7221 760593.2764 2.9248 2.9959 PRESSURE: 2299400 236.083 133.367 48.8636 133.366 -241.387 49.1018 48.8643 49.1016 -110.153 GPRESSURE: 2299400 228.075 232.606 40.386 220.742 -199.121 84.8625 -26.5429 118.774 -85.5651 PRESSAVG: 2299400 67.8474 -30.4931 -6.50485 -30.4931 -35.6887 33.217 -6.50488 33.217 -2.64483 GPRESSAVG: 2299400 68.7023 -29.2022 -5.16176 -30.4959 -35.9125 33.2652 -7.00639 33.731 -3.48645 TIMING: 2299400 CPU: 7261.45, 0.00321861/step Wall: 7261.45, 0.00321861/step, 2.4145 hours remaining, 238.796875 MB of memory in use. ENERGY: 2299400 4042.1990 20689.4849 14372.1417 261.5778 -203246.5727 2446.3216 0.0000 0.0000 52191.1522 -109243.6956 299.9433 -161434.8478 -108881.7161 300.0089 -38.4856 -18.8705 762008.0703 9.8380 9.7678 PRESSURE: 2299600 253.042 -27.1989 -75.5662 -27.2 176.326 141.245 -75.5672 141.244 111.874 GPRESSURE: 2299600 243.341 -58.151 2.34189 -52.7549 244.987 73.111 26.5652 179.827 146.52 PRESSAVG: 2299600 41.3524 28.467 -17.2317 28.467 20.132 -16.5258 -17.2317 -16.5258 -17.993 GPRESSAVG: 2299600 39.6983 27.5079 -18.4304 28.1399 21.3332 -15.8994 -18.087 -15.1801 -17.2128 TIMING: 2299600 CPU: 7262.09, 0.00321172/step Wall: 7262.09, 0.00321171/step, 2.40914 hours remaining, 238.796875 MB of memory in use. ENERGY: 2299600 3929.2352 20604.3019 14447.9456 230.8198 -203453.6517 2877.5598 0.0000 0.0000 52293.9589 -109069.8307 300.5341 -161363.7896 -108708.6368 299.9132 180.4142 211.6159 760830.9425 14.4971 14.6062 PRESSURE: 2299800 145.074 41.846 73.4956 41.845 -240.775 -7.96449 73.4956 -7.96488 -112.435 GPRESSURE: 2299800 229.418 85.1786 -48.1779 -33.473 -200.213 -3.61052 111.065 141.406 -134.917 PRESSAVG: 2299800 50.3281 -28.5882 -18.8849 -28.5882 -55.3951 26.019 -18.885 26.0191 11.9906 GPRESSAVG: 2299800 50.7718 -27.7588 -18.2965 -29.7178 -55.5587 25.3514 -17.5993 26.5973 11.7352 TIMING: 2299800 CPU: 7262.73, 0.00322742/step Wall: 7262.73, 0.00322742/step, 2.42074 hours remaining, 238.796875 MB of memory in use. ENERGY: 2299800 3947.5266 20673.7904 14391.5575 248.8919 -203321.1045 2750.7427 0.0000 0.0000 52343.3839 -108965.2116 300.8181 -161308.5954 -108601.8616 300.1288 -69.3784 -35.2376 762082.4396 2.3079 2.3161 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300000 -240.911 -32.3008 75.6099 -32.3005 -102.69 100.059 75.6097 100.06 45.8474 GPRESSURE: 2300000 -216.276 -7.39317 43.8759 -23.6856 -46.5395 76.9593 -33.6286 39.1576 50.0471 PRESSAVG: 2300000 15.902 -49.0787 -18.5047 -49.0787 -18.6381 10.3175 -18.5047 10.3175 -16.9308 GPRESSAVG: 2300000 16.0361 -49.4737 -18.8332 -47.3895 -20.3805 10.1607 -18.7706 8.5351 -15.1618 TIMING: 2300000 CPU: 7263.4, 0.00330452/step Wall: 7263.4, 0.00330452/step, 2.47839 hours remaining, 238.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2300000 3983.0760 20572.2580 14410.4525 253.5647 -202885.5273 2461.4509 0.0000 0.0000 52185.2448 -109019.4804 299.9093 -161204.7252 -108651.6215 300.5936 -99.2512 -70.9227 761855.4116 -6.5556 -6.5020 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 PRESSURE: 2300200 79.7161 -127.359 129.221 -127.359 -196.628 -231.214 129.222 -231.214 -29.3484 GPRESSURE: 2300200 -19.0874 -124.429 155.465 -47.9112 -75.0923 -271.549 83.2158 -217.902 8.19752 PRESSAVG: 2300200 55.9142 -5.63209 10.0771 -5.63211 -35.9229 8.13413 10.0771 8.13416 8.94296 GPRESSAVG: 2300200 55.7025 -9.64821 9.33336 -5.17106 -34.0126 8.59387 7.39838 8.2599 7.53103 TIMING: 2300200 CPU: 7264.04, 0.0032352/step Wall: 7264.04, 0.0032352/step, 2.42622 hours remaining, 238.796875 MB of memory in use. ENERGY: 2300200 3925.4180 20602.5985 14441.4519 277.1554 -202796.7762 2344.5638 0.0000 0.0000 52377.7399 -108827.8488 301.0156 -161205.5887 -108459.6823 300.0257 -48.7535 -28.6607 761175.0129 9.6448 9.7403 LDB: ============= START OF LOAD BALANCING ============== 7276.45 LDB: ============== END OF LOAD BALANCING =============== 7276.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7276.45 LDB: ============= START OF LOAD BALANCING ============== 7276.77 LDB: Largest compute 7033 load 0.035402 is 18.1% of average load 0.195963 LDB: Average compute 0.004392 is 2.2% of average load 0.195963 LDB: TIME 7276.77 LOAD: AVG 0.195963 MAX 0.217209 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.984 MB LDB: TIME 7276.77 LOAD: AVG 0.195963 MAX 0.217209 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.984 MB LDB: TIME 7276.77 LOAD: AVG 0.195963 MAX 0.217209 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.984 MB LDB: ============== END OF LOAD BALANCING =============== 7276.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7276.78 PRESSURE: 2300400 -140.734 274.624 153.314 274.625 346.339 203.803 153.313 203.803 -231.261 GPRESSURE: 2300400 18.228 204.869 185.369 126.293 297.109 201.378 170.329 109.871 -256.561 PRESSAVG: 2300400 -3.44809 12.3443 -16.7588 12.3442 19.9624 -12.01 -16.7588 -12.01 3.5958 GPRESSAVG: 2300400 -2.50891 15.0577 -17.4757 11.4789 18.8038 -10.2991 -15.6171 -13.7903 3.50186 TIMING: 2300400 CPU: 7264.7, 0.00328405/step Wall: 7264.7, 0.00328405/step, 2.46268 hours remaining, 238.613281 MB of memory in use. ENERGY: 2300400 3954.9111 20535.5991 14366.5395 241.1532 -202679.7506 2337.0769 0.0000 0.0000 52318.9005 -108925.5703 300.6774 -161244.4709 -108562.7625 300.2171 -8.5520 19.5919 761250.9614 6.7034 6.5989 PRESSURE: 2300600 -443.594 -44.5235 -31.2631 -44.5227 -303.298 72.7187 -31.2629 72.7194 -351.495 GPRESSURE: 2300600 -431.719 -8.79646 -48.4135 -46.296 -243.964 7.48426 -106.068 107.106 -327.17 PRESSAVG: 2300600 19.924 -43.1804 -7.98994 -43.1805 -26.3217 -20.7903 -7.98991 -20.7903 2.70418 GPRESSAVG: 2300600 20.4176 -43.2046 -6.99553 -42.2882 -27.1399 -22.0213 -8.11921 -20.6794 2.60187 TIMING: 2300600 CPU: 7265.35, 0.00324107/step Wall: 7265.35, 0.00324107/step, 2.43027 hours remaining, 238.816406 MB of memory in use. ENERGY: 2300600 4096.9894 20503.6315 14400.2226 244.2904 -202839.4501 2376.8340 0.0000 0.0000 52198.0151 -109019.4672 299.9827 -161217.4823 -108655.2167 300.0189 -366.1288 -334.2845 762682.0349 -1.2312 -1.3735 PRESSURE: 2300800 52.6485 28.1154 81.2351 28.1159 -1.54748 -3.72519 81.2354 -3.72467 -174.771 GPRESSURE: 2300800 -0.794688 123.717 10.1147 169.492 70.8204 -80.4008 10.8357 -131.192 -101.649 PRESSAVG: 2300800 -23.0453 -50.2632 71.4074 -50.2632 -41.1547 -29.6619 71.4074 -29.6619 -15.2284 GPRESSAVG: 2300800 -24.1257 -49.9328 70.8776 -51.3257 -40.2873 -30.8219 72.39 -27.9182 -14.4247 TIMING: 2300800 CPU: 7265.99, 0.003233/step Wall: 7265.99, 0.003233/step, 2.42403 hours remaining, 238.816406 MB of memory in use. ENERGY: 2300800 4054.6433 20624.1010 14427.4329 229.4622 -203314.3276 2799.6167 0.0000 0.0000 52303.3283 -108875.7433 300.5879 -161179.0716 -108523.3877 300.1673 -41.2233 -10.5411 762352.7762 -26.4762 -26.2792 PRESSURE: 2301000 -241.063 -270.919 -83.7844 -270.92 399.497 136.075 -83.7838 136.075 210.01 GPRESSURE: 2301000 -126.613 -230.907 -16.5201 -417.615 352.76 92.9029 -183.005 83.2061 218.718 PRESSAVG: 2301000 -2.77056 -48.1464 -16.1874 -48.1464 52.4112 -17.5666 -16.1875 -17.5665 -0.700234 GPRESSAVG: 2301000 -1.6078 -48.3497 -15.3025 -50.3711 51.4216 -14.9559 -18.5639 -19.1074 -0.936039 TIMING: 2301000 CPU: 7266.64, 0.00325016/step Wall: 7266.64, 0.00325016/step, 2.43671 hours remaining, 238.816406 MB of memory in use. ENERGY: 2301000 3977.1783 20629.4066 14453.8622 235.5238 -202428.1916 2077.4959 0.0000 0.0000 52250.4763 -108804.2484 300.2842 -161054.7247 -108443.9753 300.1990 122.8145 148.2883 760737.8583 16.3135 16.2926 PRESSURE: 2301200 -87.6645 -187.382 -74.3589 -187.383 12.1275 -320.611 -74.3581 -320.611 -577.472 GPRESSURE: 2301200 -19.0143 -279.095 -66.727 -164.539 38.7877 -313.457 -66.2582 -338.024 -581.355 PRESSAVG: 2301200 -21.9969 -30.3704 38.3211 -30.3705 51.0367 -57.3812 38.3211 -57.3812 -14.5944 GPRESSAVG: 2301200 -24.1872 -32.3746 37.7571 -26.6831 52.2573 -58.7454 40.6992 -55.2342 -14.0074 TIMING: 2301200 CPU: 7267.29, 0.00323846/step Wall: 7267.29, 0.00323846/step, 2.42776 hours remaining, 238.816406 MB of memory in use. ENERGY: 2301200 4069.7328 20378.7514 14425.1307 229.1859 -203163.2678 2571.6154 0.0000 0.0000 52535.1539 -108953.6976 301.9203 -161488.8516 -108578.1507 300.2910 -217.6696 -187.1941 762893.2640 4.8151 4.6875 PRESSURE: 2301400 -126.911 -111.985 180.439 -111.986 -294.705 165.071 180.439 165.072 2.96661 GPRESSURE: 2301400 -37.4043 -117.128 280.602 -57.6784 -318.231 95.0483 128.469 173.796 35.6539 PRESSAVG: 2301400 -16.4783 -35.0736 70.1213 -35.0735 8.14227 -17.186 70.1214 -17.186 -13.9655 GPRESSAVG: 2301400 -15.552 -34.1341 71.158 -35.9526 7.26737 -15.8552 70.5758 -18.5187 -14.6971 TIMING: 2301400 CPU: 7267.94, 0.0032361/step Wall: 7267.94, 0.0032361/step, 2.42582 hours remaining, 238.816406 MB of memory in use. ENERGY: 2301400 4051.9140 20660.4283 14446.8843 258.5089 -202947.1824 2428.3338 0.0000 0.0000 52151.0197 -108950.0935 299.7126 -161101.1131 -108589.7024 300.2814 -139.5499 -106.6605 762896.2241 -7.4338 -7.6606 PRESSURE: 2301600 -376.16 18.0949 129.045 18.0954 -226.718 175.757 129.046 175.758 -378.789 GPRESSURE: 2301600 -297.783 111.435 113.004 12.7659 -270.41 68.4193 108.439 172.493 -325.097 PRESSAVG: 2301600 -32.9749 -9.70774 63.2934 -9.70773 -5.40104 7.42567 63.2935 7.42575 20.8754 GPRESSAVG: 2301600 -32.7242 -9.12038 62.0512 -10.1471 -5.55773 5.64228 62.2326 7.60546 20.6324 TIMING: 2301600 CPU: 7268.59, 0.00325012/step Wall: 7268.59, 0.00325012/step, 2.43615 hours remaining, 238.816406 MB of memory in use. ENERGY: 2301600 3965.4443 20568.2321 14522.3779 244.4413 -202997.1280 2383.1114 0.0000 0.0000 52193.3150 -109120.2059 299.9557 -161313.5209 -108752.5188 299.6953 -327.2224 -297.7637 762867.6307 -5.8335 -5.8832 PRESSURE: 2301800 19.1114 170.241 -75.6015 170.241 -236.326 -199.662 -75.6021 -199.663 -109.58 GPRESSURE: 2301800 -22.2503 160.684 -45.6364 159.959 -158.251 -151.331 -34.3767 -241.549 -48.2984 PRESSAVG: 2301800 -30.261 -38.6934 -9.14677 -38.6934 11.5722 40.1604 -9.14679 40.1604 -20.2561 GPRESSAVG: 2301800 -30.5042 -40.751 -8.96227 -38.0629 11.5706 41.0181 -6.26339 39.9868 -20.0176 TIMING: 2301800 CPU: 7269.24, 0.00323537/step Wall: 7269.24, 0.00323537/step, 2.42491 hours remaining, 238.816406 MB of memory in use. ENERGY: 2301800 4034.3050 20611.4287 14495.1240 247.2864 -203016.8170 2396.9897 0.0000 0.0000 52255.9666 -108975.7167 300.3158 -161231.6833 -108618.2330 300.1228 -108.9315 -76.2666 762163.0429 -12.9816 -12.9838 PRESSURE: 2302000 -143.538 -35.0807 -198.494 -35.0814 227.183 142.687 -198.494 142.687 -305.869 GPRESSURE: 2302000 -83.6478 79.4215 -248.127 -66.6162 188.679 137.176 -195.478 88.7074 -254.055 PRESSAVG: 2302000 -27.9523 -46.4107 -16.0368 -46.4107 1.42985 -40.4449 -16.0368 -40.4448 -16.3428 GPRESSAVG: 2302000 -28.45 -43.8685 -15.355 -45.986 0.996153 -40.8478 -18.7685 -40.1937 -15.605 TIMING: 2302000 CPU: 7269.89, 0.00326444/step Wall: 7269.89, 0.00326444/step, 2.44651 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2302000 3950.0565 20624.7982 14478.9670 255.0204 -203490.1490 2599.1432 0.0000 0.0000 52333.2227 -109248.9409 300.7598 -161582.1636 -108896.6192 299.7026 -74.0745 -49.6745 763278.8935 -14.2884 -14.3529 PRESSURE: 2302200 104.782 32.7652 47.2492 32.7648 -144.665 -358.671 47.2496 -358.671 -69.434 GPRESSURE: 2302200 173.567 33.0965 35.8468 3.01914 -81.0148 -326.91 111.481 -424.208 -109.015 PRESSAVG: 2302200 4.34839 36.5708 -7.22533 36.5709 -18.3406 -23.8814 -7.22533 -23.8814 -1.33867 GPRESSAVG: 2302200 4.51597 34.0892 -7.84412 36.0055 -17.0125 -25.2771 -6.58175 -23.3298 -2.8551 TIMING: 2302200 CPU: 7270.54, 0.00327595/step Wall: 7270.54, 0.00327595/step, 2.45496 hours remaining, 238.816406 MB of memory in use. ENERGY: 2302200 3985.1657 20559.8126 14464.6565 272.2077 -203122.1955 2256.7329 0.0000 0.0000 52105.4641 -109478.1560 299.4508 -161583.6200 -109115.3437 299.3688 -36.4392 -5.4875 760510.2958 -5.1103 -5.1172 PRESSURE: 2302400 -254.128 -13.6801 145.62 -13.6802 -159.293 -131.581 145.62 -131.582 -199.568 GPRESSURE: 2302400 -187.781 45.9709 233.515 -41.2877 -205.728 -208.33 60.5192 -152.185 -138.555 PRESSAVG: 2302400 -19.5628 -13.9744 56.2657 -13.9745 42.5849 -38.8921 56.2658 -38.8921 -7.95088 GPRESSAVG: 2302400 -18.8455 -10.9534 55.8497 -16.0375 40.8315 -36.7899 56.2814 -38.8008 -7.12653 TIMING: 2302400 CPU: 7271.19, 0.00323891/step Wall: 7271.19, 0.00323891/step, 2.42703 hours remaining, 238.816406 MB of memory in use. ENERGY: 2302400 4122.6960 20486.0006 14563.3960 254.2842 -203618.0319 2742.5023 0.0000 0.0000 52070.2584 -109378.8944 299.2485 -161449.1528 -109012.7078 299.4132 -204.3296 -177.3550 760891.8957 5.0237 4.9532 PRESSURE: 2302600 -151.063 -141.432 139.329 -141.432 -412.846 16.802 139.329 16.8018 -126.796 GPRESSURE: 2302600 -96.3547 -58.9522 155.904 -148.917 -336.649 -25.7753 111.669 -11.1993 -151.903 PRESSAVG: 2302600 -18.2563 -3.40625 8.25468 -3.40624 39.3611 -19.4367 8.25467 -19.4366 -10.2307 GPRESSAVG: 2302600 -18.5569 -4.00904 10.1508 -2.27163 39.4323 -22.0806 5.91467 -20.8113 -10.3055 TIMING: 2302600 CPU: 7271.85, 0.00328059/step Wall: 7271.85, 0.00328059/step, 2.45807 hours remaining, 238.816406 MB of memory in use. ENERGY: 2302600 4034.2372 20507.7677 14551.3038 239.8717 -203551.5992 2547.8901 0.0000 0.0000 52364.5441 -109305.9846 300.9398 -161670.5287 -108938.3086 299.7362 -230.2350 -194.9689 761993.9533 3.6247 3.5233 PRESSURE: 2302800 127.419 -47.728 20.2901 -47.7278 -253.092 -279.88 20.2899 -279.881 35.1867 GPRESSURE: 2302800 50.9015 -160.176 -7.46796 -35.3093 -177.106 -269.821 70.6481 -190.284 104.661 PRESSAVG: 2302800 33.9506 59.4885 27.0556 59.4885 -58.9021 21.0964 27.0556 21.0964 -26.1348 GPRESSAVG: 2302800 33.1149 60.5856 26.0346 58.0816 -58.3342 23.6996 29.7484 19.3135 -25.9627 TIMING: 2302800 CPU: 7272.5, 0.00326483/step Wall: 7272.5, 0.00326483/step, 2.44608 hours remaining, 238.816406 MB of memory in use. ENERGY: 2302800 4037.7036 20595.6250 14459.5736 243.1735 -203564.5340 2664.9361 0.0000 0.0000 52242.6198 -109320.9025 300.2391 -161563.5223 -108950.2421 299.8731 -30.1622 -7.1810 761261.8825 -17.0288 -17.0607 PRESSURE: 2303000 -17.2408 -53.9515 158.677 -53.9523 283.425 -237 158.678 -237 227.629 GPRESSURE: 2303000 74.8083 -86.9193 107.311 -106.627 329.741 -172.661 216.29 -136.115 175.869 PRESSAVG: 2303000 38.0005 25.5655 -16.4972 25.5654 -62.6496 -2.48473 -16.4972 -2.48466 21.7878 GPRESSAVG: 2303000 37.5811 23.2255 -16.7868 27.7965 -61.3372 -2.62585 -16.1433 -0.437176 21.5026 TIMING: 2303000 CPU: 7273.16, 0.0032732/step Wall: 7273.16, 0.0032732/step, 2.45217 hours remaining, 238.816406 MB of memory in use. ENERGY: 2303000 3962.2290 20654.5565 14460.2567 228.6138 -203617.9708 2743.9555 0.0000 0.0000 52092.1767 -109476.1826 299.3745 -161568.3593 -109114.6761 299.1441 164.6047 193.4729 760934.4621 -0.9538 -0.7512 PRESSURE: 2303200 -70.6703 6.41966 -367.397 6.41906 -217.833 133.842 -367.397 133.842 -371.696 GPRESSURE: 2303200 43.6154 19.0536 -365.047 20.1053 -283.08 128.485 -359.675 114.999 -348.567 PRESSAVG: 2303200 18.28 12.3098 -45.1319 12.3098 -21.0575 -32.7044 -45.1319 -32.7044 -19.1941 GPRESSAVG: 2303200 19.4866 10.8161 -44.2162 12.8067 -22.0428 -34.7422 -44.5961 -32.1972 -19.3853 TIMING: 2303200 CPU: 7273.81, 0.00326542/step Wall: 7273.81, 0.00326542/step, 2.44616 hours remaining, 238.816406 MB of memory in use. ENERGY: 2303200 3994.6345 20519.5241 14495.0978 253.4741 -203422.3503 2570.4386 0.0000 0.0000 52231.0452 -109358.1360 300.1725 -161589.1811 -108990.3072 299.0776 -220.0662 -196.0104 760821.7367 -7.3239 -7.3138 PRESSURE: 2303400 -463.456 -145.933 -144.208 -145.934 -424.799 -234.481 -144.207 -234.48 -215.095 GPRESSURE: 2303400 -423.045 -256.24 -122.221 -46.5769 -359.71 -219.031 -199.238 -216.108 -219.337 PRESSAVG: 2303400 -33.113 13.8585 -12.1725 13.8585 30.7495 -46.8841 -12.1724 -46.8842 -2.28917 GPRESSAVG: 2303400 -33.742 12.7709 -11.7864 13.3065 30.5252 -47.4745 -13.6469 -45.5009 -1.24521 TIMING: 2303400 CPU: 7274.46, 0.00325056/step Wall: 7274.46, 0.00325056/step, 2.43485 hours remaining, 238.816406 MB of memory in use. ENERGY: 2303400 4078.8912 20520.5646 14451.6267 250.2494 -203348.3213 2390.8583 0.0000 0.0000 52217.4997 -109438.6314 300.0947 -161656.1312 -109071.4515 299.5503 -367.7836 -334.0308 760607.2600 -1.5509 -1.4873 PRESSURE: 2303600 203.507 32.6703 30.0745 32.6699 -69.8178 296.188 30.0736 296.187 -1.19466 GPRESSURE: 2303600 219.991 73.4922 57.4232 61.623 56.3966 229.107 176.672 222.662 -40.4416 PRESSAVG: 2303600 -1.65017 -12.8034 -33.3032 -12.8033 -16.3751 16.3008 -33.3031 16.3009 -1.27632 GPRESSAVG: 2303600 -0.772901 -10.7499 -33.597 -10.6952 -16.2514 17.8378 -32.9197 16.0161 -2.23493 TIMING: 2303600 CPU: 7275.11, 0.00325511/step Wall: 7275.11, 0.00325511/step, 2.43808 hours remaining, 238.816406 MB of memory in use. ENERGY: 2303600 3974.5607 20429.5037 14493.8939 257.7874 -203304.6955 2445.9022 0.0000 0.0000 52233.3094 -109469.7383 300.1855 -161703.0477 -109100.1731 299.6284 44.1649 78.6488 759978.8926 -6.4338 -6.4197 PRESSURE: 2303800 -19.4241 -75.9865 121.225 -75.9873 -134.374 -72.3981 121.225 -72.3977 101.71 GPRESSURE: 2303800 -49.2373 8.57236 74.9024 -116.778 -41.7457 -0.900605 4.73403 -73.7832 115.403 PRESSAVG: 2303800 44.067 -5.58864 -31.255 -5.58864 -19.1038 32.8239 -31.2549 32.8239 -11.8266 GPRESSAVG: 2303800 42.4027 -7.26258 -31.1889 -3.52717 -18.2634 33.6644 -30.4063 30.6995 -11.3693 TIMING: 2303800 CPU: 7275.76, 0.00324382/step Wall: 7275.76, 0.00324382/step, 2.42944 hours remaining, 238.816406 MB of memory in use. ENERGY: 2303800 4028.3518 20622.9238 14440.1593 252.4544 -203871.0930 2785.7336 0.0000 0.0000 52009.6628 -109731.8073 298.9002 -161741.4701 -109379.1698 299.1062 -17.3627 8.1399 760219.9996 4.3789 4.2567 PRESSURE: 2304000 -67.2095 180.719 -72.6713 180.718 104.421 -172.427 -72.6713 -172.426 45.1161 GPRESSURE: 2304000 -66.7529 76.348 -67.763 151.98 124.519 -195.334 -108.384 -127.738 104.677 PRESSAVG: 2304000 50.1179 31.451 -40.5051 31.451 -55.1349 -26.1781 -40.505 -26.1781 3.41736 GPRESSAVG: 2304000 50.4103 33.6897 -41.378 27.2936 -54.6703 -26.0402 -41.9431 -24.3412 3.0109 TIMING: 2304000 CPU: 7276.4, 0.00321231/step Wall: 7276.4, 0.00321231/step, 2.40567 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2304000 4021.4230 20460.6917 14472.6201 259.9985 -204060.5460 2887.2728 0.0000 0.0000 52194.0511 -109764.4888 299.9599 -161958.5399 -109402.5464 298.5497 27.4424 54.1477 759499.5453 -0.5332 -0.4164 PRESSURE: 2304200 56.8569 -254.231 -77.3181 -254.23 -168.013 -176.653 -77.3188 -176.653 -111.133 GPRESSURE: 2304200 73.8559 -308.442 -32.0494 -197.5 -146.281 -188.612 -26.6892 -102.237 -75.4934 PRESSAVG: 2304200 69.6017 -36.7547 -48.1871 -36.7547 -32.6472 -28.111 -48.1871 -28.111 11.1562 GPRESSAVG: 2304200 69.8595 -37.2689 -47.0811 -35.0949 -33.321 -29.5103 -48.4161 -27.6942 11.6439 TIMING: 2304200 CPU: 7277.05, 0.00326269/step Wall: 7277.05, 0.00326269/step, 2.44321 hours remaining, 238.816406 MB of memory in use. ENERGY: 2304200 3968.5607 20516.3882 14399.5463 252.9407 -203635.2193 2466.0937 0.0000 0.0000 52135.1013 -109896.5884 299.6211 -162031.6897 -109539.2424 298.4802 -74.0963 -49.3060 760501.2118 16.0369 16.0608 LDB: ============= START OF LOAD BALANCING ============== 7289.46 LDB: ============== END OF LOAD BALANCING =============== 7289.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7289.47 LDB: ============= START OF LOAD BALANCING ============== 7289.8 LDB: Largest compute 7033 load 0.037991 is 19.4% of average load 0.195917 LDB: Average compute 0.004405 is 2.2% of average load 0.195917 LDB: TIME 7289.8 LOAD: AVG 0.195917 MAX 0.216395 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 7289.8 LOAD: AVG 0.195917 MAX 0.216395 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 7289.8 LOAD: AVG 0.195917 MAX 0.216395 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 7289.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7289.81 PRESSURE: 2304400 -338.318 191.347 67.132 191.346 -111.546 95.1439 67.1313 95.1442 -151.033 GPRESSURE: 2304400 -351.166 61.4579 167.435 107.907 -52.5155 87.3859 17.9196 55.8186 -124.155 PRESSAVG: 2304400 31.1666 -42.0405 12.0345 -42.0406 -48.749 -69.3911 12.0346 -69.3911 16.9378 GPRESSAVG: 2304400 31.2738 -41.1505 13.2712 -44.5536 -49.2681 -68.6095 13.3837 -69.9613 17.2967 TIMING: 2304400 CPU: 7277.73, 0.00336114/step Wall: 7277.73, 0.00336114/step, 2.51675 hours remaining, 238.355469 MB of memory in use. ENERGY: 2304400 3974.8577 20402.6335 14439.1507 233.2418 -203665.6159 2538.1374 0.0000 0.0000 52103.2604 -109974.3345 299.4382 -162077.5948 -109610.2583 298.4194 -200.2993 -175.9454 762747.0517 -0.2149 -0.2325 PRESSURE: 2304600 32.3179 -48.0304 30.2335 -48.0306 -12.598 -84.8561 30.2336 -84.8561 127.201 GPRESSURE: 2304600 56.6181 -74.9865 -71.874 -257.289 -69.7185 -210.121 -45.4829 19.6436 231.441 PRESSAVG: 2304600 44.6428 13.8176 -25.1381 13.8176 -25.2453 -3.9774 -25.138 -3.97729 12.5095 GPRESSAVG: 2304600 44.9472 12.4956 -26.8255 14.9709 -25.4065 -5.42342 -25.6449 -3.46706 12.6327 TIMING: 2304600 CPU: 7278.38, 0.00327409/step Wall: 7278.38, 0.00327409/step, 2.45138 hours remaining, 238.355469 MB of memory in use. ENERGY: 2304600 3892.7832 20499.9292 14466.5741 238.8572 -203714.5143 2732.5380 0.0000 0.0000 51898.1469 -109985.6857 298.2594 -161883.8326 -109624.7656 298.0688 48.9736 72.7802 760755.3381 10.6356 10.7245 PRESSURE: 2304800 102.65 1.25584 86.5334 1.25534 95.6347 85.2654 86.5328 85.2648 -86.5527 GPRESSURE: 2304800 157.568 -12.1764 102.171 -89.2613 113.872 41.9839 -33.5363 -78.2677 -83.1118 PRESSAVG: 2304800 -18.2879 -44.4872 -4.41487 -44.4872 -6.20417 0.765196 -4.41493 0.765169 25.1708 GPRESSAVG: 2304800 -18.8249 -46.5537 -4.73125 -42.3844 -5.91172 1.24138 -5.02529 0.23104 25.0876 TIMING: 2304800 CPU: 7279.03, 0.00325195/step Wall: 7279.03, 0.00325195/step, 2.43463 hours remaining, 238.355469 MB of memory in use. ENERGY: 2304800 3992.7805 20495.5709 14424.7016 254.5858 -203864.7696 2648.5445 0.0000 0.0000 52083.6531 -109964.9331 299.3255 -162048.5862 -109600.9371 298.1688 37.2439 62.7758 760025.4637 0.2262 0.1170 PRESSURE: 2305000 -47.2982 238.896 -69.9917 238.897 -152.147 68.6298 -69.9912 68.6301 -74.17 GPRESSURE: 2305000 -33.7648 157.464 35.5989 162.78 -99.2748 106.361 -29.3241 78.4688 -51.9588 PRESSAVG: 2305000 33.8282 -5.52096 6.66483 -5.52097 -51.6766 21.2959 6.66483 21.2959 -5.34245 GPRESSAVG: 2305000 35.9906 -5.48709 7.25973 -5.75039 -52.0178 20.9202 8.31214 20.752 -6.53977 TIMING: 2305000 CPU: 7279.69, 0.00328913/step Wall: 7279.69, 0.00328913/step, 2.46228 hours remaining, 238.355469 MB of memory in use. ENERGY: 2305000 3939.8342 20432.5743 14419.2412 253.7738 -204014.1450 2604.0619 0.0000 0.0000 52125.2054 -110239.4542 299.5643 -162364.6595 -109876.2606 298.9500 -91.2052 -61.6661 760072.5538 -7.7303 -7.5223 PRESSURE: 2305200 -335.246 -147.415 56.5593 -147.414 -40.9522 150.417 56.559 150.417 -123.498 GPRESSURE: 2305200 -216.385 -52.1133 26.1997 -173.497 -48.2874 186.744 1.39506 141.598 -139.936 PRESSAVG: 2305200 48.5267 31.4377 -9.35834 31.4376 -7.36665 23.244 -9.35826 23.244 -9.03577 GPRESSAVG: 2305200 46.0987 33.2978 -9.1345 29.16 -5.65088 25.0762 -10.2701 22.1287 -8.12264 TIMING: 2305200 CPU: 7280.34, 0.0032691/step Wall: 7280.34, 0.0032691/step, 2.44711 hours remaining, 238.355469 MB of memory in use. ENERGY: 2305200 3967.9463 20408.8852 14452.6347 253.8242 -203351.5333 2303.8171 0.0000 0.0000 51863.3225 -110101.1034 298.0592 -161964.4259 -109741.6430 298.4323 -166.5656 -134.8695 760651.5081 10.7081 10.7750 PRESSURE: 2305400 101.126 132.098 -58.3643 132.098 117.501 -280.494 -58.3648 -280.494 215.451 GPRESSURE: 2305400 155.575 209.155 -164.218 -19.2833 168.974 -337.347 32.0956 -212.44 205.11 PRESSAVG: 2305400 13.4047 26.0381 -3.79948 26.0381 14.0217 -68.2711 -3.79945 -68.2711 13.4433 GPRESSAVG: 2305400 13.3012 25.7876 -4.73016 26.7341 13.5836 -69.6022 -3.5372 -67.5627 13.3644 TIMING: 2305400 CPU: 7281, 0.00327274/step Wall: 7281, 0.00327274/step, 2.44964 hours remaining, 238.355469 MB of memory in use. ENERGY: 2305400 3981.1347 20291.3236 14394.7144 256.8833 -203627.1300 2783.3534 0.0000 0.0000 51954.1608 -109965.5599 298.5813 -161919.7206 -109593.2014 298.4742 144.6926 176.5531 760953.1158 13.6232 13.4164 PRESSURE: 2305600 226.111 -0.828319 538.888 -0.828441 125.451 -64.0449 538.888 -64.0447 -29.1085 GPRESSURE: 2305600 223.006 15.8349 517.026 31.4758 173.604 -62.1492 466.986 -188.032 2.82033 PRESSAVG: 2305600 -3.31782 23.2353 -4.77236 23.2353 -32.3949 -44.2994 -4.77234 -44.2993 -9.19616 GPRESSAVG: 2305600 -3.33004 22.3846 -4.76391 23.228 -32.5986 -42.3945 -5.88438 -44.7143 -8.89207 TIMING: 2305600 CPU: 7281.65, 0.00326294/step Wall: 7281.65, 0.00326295/step, 2.44213 hours remaining, 238.355469 MB of memory in use. ENERGY: 2305600 3921.0734 20686.1112 14396.4468 258.9310 -203748.5772 2857.3210 0.0000 0.0000 51793.0945 -109835.5992 297.6556 -161628.6937 -109480.2858 298.4486 107.4846 133.1433 761391.2734 -14.9696 -14.9402 PRESSURE: 2305800 -338.14 -25.1181 -77.1186 -25.1183 -325.753 -11.3188 -77.1169 -11.3195 -112.507 GPRESSURE: 2305800 -356.345 -36.2822 -36.6701 -8.95969 -242.93 26.298 -43.832 6.6882 -99.2516 PRESSAVG: 2305800 0.306642 -31.8672 -11.8975 -31.8672 -14.4433 -35.1605 -11.8975 -35.1606 24.1243 GPRESSAVG: 2305800 -0.149 -31.6024 -11.2701 -31.9997 -13.8234 -35.7145 -11.2787 -36.6302 24.4326 TIMING: 2305800 CPU: 7282.3, 0.00322995/step Wall: 7282.3, 0.00322995/step, 2.41726 hours remaining, 238.355469 MB of memory in use. ENERGY: 2305800 4002.3696 20504.1146 14477.3441 228.6467 -203318.1372 2379.1067 0.0000 0.0000 51744.8530 -109981.7027 297.3784 -161726.5556 -109621.3055 297.9506 -258.7996 -232.8422 762344.9817 3.3292 3.4867 PRESSURE: 2306000 131.122 191.732 -116.424 191.731 -60.7002 0.686521 -116.424 0.684594 -108.713 GPRESSURE: 2306000 47.7966 135.264 -169.673 104.158 46.3222 -13.6473 -47.6582 31.7584 -43.5171 PRESSAVG: 2306000 8.47005 -9.01543 -8.8492 -9.01546 -13.0357 -47.2313 -8.84924 -47.2313 -10.7711 GPRESSAVG: 2306000 8.25149 -7.93951 -9.74017 -9.75358 -12.1307 -47.3861 -5.62198 -47.8667 -11.4534 TIMING: 2306000 CPU: 7282.94, 0.00321903/step Wall: 7282.94, 0.00321903/step, 2.40891 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2306000 4072.8811 20539.4785 14416.2812 235.4628 -203343.0983 2670.0074 0.0000 0.0000 51605.2266 -109803.7607 296.5759 -161408.9873 -109445.0655 298.0201 -12.7636 16.8673 760984.0123 -5.1122 -5.1108 PRESSURE: 2306200 -52.2028 -46.5316 104.411 -46.5307 -52.0818 81.5521 104.41 81.5514 -120.785 GPRESSURE: 2306200 -81.7577 -97.8712 120.87 19.9881 7.49267 91.3338 -81.2017 87.86 -85.2658 PRESSAVG: 2306200 44.1117 12.8173 -28.0742 12.8173 7.94742 -28.691 -28.0743 -28.691 -4.83447 GPRESSAVG: 2306200 43.5431 12.2001 -27.1629 11.7535 7.44651 -28.6977 -32.2268 -27.8748 -4.04612 TIMING: 2306200 CPU: 7283.59, 0.00325794/step Wall: 7283.59, 0.00325794/step, 2.43785 hours remaining, 238.355469 MB of memory in use. ENERGY: 2306200 3990.9495 20708.2597 14453.1871 243.3392 -203130.6889 2198.6485 0.0000 0.0000 51637.0722 -109899.2327 296.7590 -161536.3049 -109543.6849 298.2331 -75.0233 -53.1770 761970.7314 15.7415 15.6478 PRESSURE: 2306400 -57.3498 24.4014 -111.589 24.4009 384.987 44.5551 -111.589 44.5543 254.692 GPRESSURE: 2306400 90.172 65.9597 -83.451 -26.374 297.743 39.0597 -97.2112 28.2807 255.228 PRESSAVG: 2306400 -33.7378 2.98796 -17.6428 2.98791 35.9066 0.814074 -17.6428 0.814111 -13.5097 GPRESSAVG: 2306400 -32.4172 2.75894 -18.3405 5.9346 35.3966 0.703165 -15.1477 0.127827 -14.8053 TIMING: 2306400 CPU: 7284.24, 0.00323331/step Wall: 7284.24, 0.00323331/step, 2.41924 hours remaining, 238.355469 MB of memory in use. ENERGY: 2306400 3988.6096 20520.9707 14376.5272 232.7932 -203881.7001 2899.9990 0.0000 0.0000 52059.4981 -109803.3023 299.1867 -161862.8004 -109440.3683 298.6972 194.1096 214.3811 760215.8992 -3.7803 -3.9420 PRESSURE: 2306600 -157.693 -121.661 -166.955 -121.661 84.1368 -71.4082 -166.955 -71.408 203.283 GPRESSURE: 2306600 -103.555 -153.825 -116.769 -71.7827 91.5983 -107.162 -113.753 5.75884 236.497 PRESSAVG: 2306600 -26.9723 -5.72319 8.31518 -5.72315 35.6306 -24.9136 8.31521 -24.9136 -7.69186 GPRESSAVG: 2306600 -27.7376 -5.63433 8.18597 -8.19771 35.6437 -25.7821 7.7229 -22.5389 -6.8258 TIMING: 2306600 CPU: 7284.88, 0.00321381/step Wall: 7284.88, 0.00321381/step, 2.40446 hours remaining, 238.355469 MB of memory in use. ENERGY: 2306600 3987.2990 20375.4663 14386.8424 247.6731 -203535.8353 2524.4094 0.0000 0.0000 52043.1962 -109970.9489 299.0930 -162014.1451 -109600.9805 297.9899 43.2420 74.8467 760385.2580 0.3221 0.3601 PRESSURE: 2306800 -189.288 -150.593 -61.8454 -150.593 61.4918 287.421 -61.8442 287.421 26.9403 GPRESSURE: 2306800 -117.251 -10.427 -50.3257 -200.381 47.9205 222.085 -240.993 214.724 59.5049 PRESSAVG: 2306800 -41.2037 2.79862 -2.05943 2.7987 31.6538 22.9171 -2.05939 22.9171 4.16767 GPRESSAVG: 2306800 -40.3423 3.02495 -2.24388 3.6307 30.8525 24.4201 -2.27955 20.8261 4.19441 TIMING: 2306800 CPU: 7285.53, 0.00322787/step Wall: 7285.53, 0.00322787/step, 2.41481 hours remaining, 238.355469 MB of memory in use. ENERGY: 2306800 3990.8383 20514.7205 14411.9932 231.4446 -203630.0425 2430.0135 0.0000 0.0000 52174.4619 -109876.5706 299.8473 -162051.0325 -109516.5255 298.3826 -33.6187 -3.2753 759383.3967 -1.7941 -1.7651 PRESSURE: 2307000 488.483 -99.7491 -169.041 -99.7484 222.313 -231.809 -169.041 -231.809 -121.448 GPRESSURE: 2307000 476.058 -53.5969 -119.078 -109.032 233.518 -119.383 -14.9021 -175.283 -54.824 PRESSAVG: 2307000 -22.1525 -16.1556 -43.7969 -16.1556 -18.2696 -9.40902 -43.7969 -9.40902 25.9554 GPRESSAVG: 2307000 -22.3847 -17.6096 -44.269 -15.2115 -18.259 -10.2666 -45.8978 -7.59112 26.1291 TIMING: 2307000 CPU: 7286.17, 0.00323927/step Wall: 7286.17, 0.00323927/step, 2.42315 hours remaining, 238.355469 MB of memory in use. ENERGY: 2307000 3905.9305 20399.8568 14348.1022 257.1522 -203755.9850 3055.0875 0.0000 0.0000 52155.0346 -109634.8211 299.7357 -161789.8557 -109276.1840 298.5427 196.4494 218.2507 759971.4414 -4.8223 -4.8382 PRESSURE: 2307200 68.3146 20.168 -312.693 20.1676 -115.637 -31.4036 -312.692 -31.4044 50.0449 GPRESSURE: 2307200 71.3938 -16.1525 -193.577 35.7516 -34.77 -27.1778 -251.252 -34.7177 56.3929 PRESSAVG: 2307200 33.3346 -3.12268 -35.184 -3.12265 -17.2341 15.1816 -35.184 15.1817 11.4047 GPRESSAVG: 2307200 33.7152 -1.88806 -33.1959 -3.66476 -17.0764 14.0072 -33.5614 14.7414 10.431 TIMING: 2307200 CPU: 7286.82, 0.00321723/step Wall: 7286.82, 0.00321723/step, 2.40649 hours remaining, 238.355469 MB of memory in use. ENERGY: 2307200 4012.2247 20470.0083 14409.1571 267.6116 -203330.0318 2605.0921 0.0000 0.0000 51906.5221 -109659.4158 298.3075 -161565.9380 -109297.6118 298.4969 0.9074 31.0056 761083.9035 9.1684 9.0233 PRESSURE: 2307400 17.1666 26.6389 189 26.6378 92.8381 -317.865 189 -317.864 -29.4483 GPRESSURE: 2307400 -22.2563 101.307 157.302 -42.4485 103.181 -296.513 74.2639 -259.781 72.3609 PRESSAVG: 2307400 28.9866 -36.6669 -20.9835 -36.6669 -32.5157 3.0897 -20.9835 3.08973 37.5775 GPRESSAVG: 2307400 30.6587 -35.8425 -21.8971 -35.0033 -33.8458 4.22902 -19.8855 2.23612 37.3884 TIMING: 2307400 CPU: 7287.46, 0.00323627/step Wall: 7287.46, 0.00323627/step, 2.42055 hours remaining, 238.355469 MB of memory in use. ENERGY: 2307400 4029.5446 20593.3139 14437.5208 245.1580 -203525.4789 2635.6913 0.0000 0.0000 51900.4119 -109683.8383 298.2724 -161584.2502 -109329.6152 298.6937 26.8521 51.0953 761566.0104 11.3495 11.4005 PRESSURE: 2307600 428.303 91.7886 103.832 91.7881 -179.958 105.549 103.832 105.55 164.545 GPRESSURE: 2307600 412.646 77.0775 57.5014 104.858 -81.8692 74.697 179.111 221.441 180.925 PRESSAVG: 2307600 80.9662 17.4859 -3.96027 17.4858 -62.3632 53.3476 -3.96017 53.3477 7.42854 GPRESSAVG: 2307600 78.4674 17.5908 -4.98212 16.9258 -60.5995 52.7041 -4.65901 55.2594 8.14612 TIMING: 2307600 CPU: 7288.11, 0.00323716/step Wall: 7288.11, 0.00323717/step, 2.42104 hours remaining, 238.355469 MB of memory in use. ENERGY: 2307600 3936.8477 20588.4657 14467.3699 273.3158 -203727.2730 2857.2807 0.0000 0.0000 51954.8789 -109649.1144 298.5854 -161603.9933 -109287.7155 298.5793 137.6301 170.5673 760703.4660 8.6772 8.6714 PRESSURE: 2307800 -183.675 5.82782 -101.364 5.82812 -73.1333 -15.0772 -101.364 -15.0781 9.11484 GPRESSURE: 2307800 -218.17 -30.4789 -113.985 -45.1764 38.2561 -17.1919 -107.371 -52.6357 7.11639 PRESSAVG: 2307800 -4.97555 41.7257 -6.67658 41.7257 31.7605 17.8527 -6.67662 17.8526 10.3098 GPRESSAVG: 2307800 -4.11068 41.4571 -4.66054 40.7791 32.1237 20.2 -7.52865 16.8842 8.42129 TIMING: 2307800 CPU: 7288.76, 0.00323234/step Wall: 7288.76, 0.00323234/step, 2.41725 hours remaining, 238.355469 MB of memory in use. ENERGY: 2307800 3955.5713 20382.1034 14407.7960 263.6890 -203220.4820 2438.1594 0.0000 0.0000 52093.6434 -109679.5196 299.3829 -161773.1630 -109304.7510 299.1557 -82.5645 -57.5992 762472.9885 12.3649 12.1448 PRESSURE: 2308000 -328.66 71.8278 -2.64032 71.8268 -276.383 -156.65 -2.64007 -156.651 -255.09 GPRESSURE: 2308000 -247.944 127.032 -25.3569 59.559 -262.215 -205.202 75.0077 6.66585 -257.162 PRESSAVG: 2308000 2.87536 -23.488 -9.88943 -23.488 18.7555 -18.1877 -9.88948 -18.1877 5.23341 GPRESSAVG: 2308000 1.73885 -23.7352 -11.0456 -22.1642 18.1925 -19.6311 -10.2481 -20.0507 7.06513 TIMING: 2308000 CPU: 7289.4, 0.00321311/step Wall: 7289.4, 0.00321311/step, 2.40269 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2308000 4039.6628 20494.6059 14396.1359 249.5593 -203351.7585 2512.6161 0.0000 0.0000 52230.9101 -109428.2685 300.1718 -161659.1786 -109063.5489 299.0939 -286.7109 -255.7736 762552.0829 8.9547 8.9988 PRESSURE: 2308200 -250.96 57.9603 -201.577 57.9609 -278.296 19.0987 -201.576 19.0976 -329.694 GPRESSURE: 2308200 -220.966 144.421 -222.935 5.31449 -352.406 5.22874 -210.972 26.7457 -219.357 PRESSAVG: 2308200 15.0356 -54.3141 -44.0944 -54.3141 -16.6318 -23.8766 -44.0944 -23.8766 10.8723 GPRESSAVG: 2308200 15.0973 -54.228 -44.1868 -54.9406 -16.5807 -23.2819 -39.5263 -21.9556 10.5316 TIMING: 2308200 CPU: 7290.04, 0.00320194/step Wall: 7290.04, 0.00320194/step, 2.39416 hours remaining, 238.355469 MB of memory in use. ENERGY: 2308200 4051.1664 20544.4691 14386.0021 252.8915 -202956.5532 2289.9057 0.0000 0.0000 51981.5652 -109450.5533 298.7388 -161432.1185 -109094.4352 299.4741 -286.3167 -264.2428 761436.6316 3.0920 3.0161 LDB: ============= START OF LOAD BALANCING ============== 7302.45 LDB: ============== END OF LOAD BALANCING =============== 7302.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7302.45 LDB: ============= START OF LOAD BALANCING ============== 7302.78 LDB: Largest compute 7034 load 0.037037 is 18.9% of average load 0.195843 LDB: Average compute 0.004396 is 2.2% of average load 0.195843 LDB: TIME 7302.78 LOAD: AVG 0.195843 MAX 0.217453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 7302.78 LOAD: AVG 0.195843 MAX 0.217453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 7302.78 LOAD: AVG 0.195843 MAX 0.217453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 7302.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7302.79 PRESSURE: 2308400 38.564 71.576 15.9248 71.5769 -446.589 -26.2705 15.9243 -26.2705 -287.144 GPRESSURE: 2308400 -3.84418 89.1541 -30.4794 -74.402 -429.048 88.8392 8.04688 -153.991 -180.714 PRESSAVG: 2308400 12.3091 -48.3052 -20.3596 -48.3052 -18.5212 -5.37566 -20.3595 -5.37563 -16.6073 GPRESSAVG: 2308400 12.6746 -48.699 -19.558 -46.7724 -18.2023 -4.77417 -24.7616 -9.22297 -17.2128 TIMING: 2308400 CPU: 7290.71, 0.00332422/step Wall: 7290.71, 0.00332422/step, 2.4854 hours remaining, 240.984375 MB of memory in use. ENERGY: 2308400 4021.2269 20487.0234 14431.4370 235.2816 -203717.8388 2860.1477 0.0000 0.0000 52092.8987 -109589.8233 299.3786 -161682.7220 -109229.5973 298.9870 -231.7232 -204.5353 761737.2448 -7.6065 -7.5802 PRESSURE: 2308600 2.28901 77.724 174.481 77.7238 130.337 -69.9727 174.482 -69.9727 168.679 GPRESSURE: 2308600 79.0288 52.7848 151.147 112.849 137.379 42.4779 56.363 -100.918 167.435 PRESSAVG: 2308600 39.3445 -23.2945 -5.32691 -23.2945 -21.7334 -25.6166 -5.32683 -25.6166 -14.3272 GPRESSAVG: 2308600 38.793 -21.7738 -3.52818 -24.7545 -21.7864 -25.3108 -4.64294 -22.0009 -13.9273 TIMING: 2308600 CPU: 7291.37, 0.00331076/step Wall: 7291.37, 0.00331076/step, 2.47516 hours remaining, 241.054688 MB of memory in use. ENERGY: 2308600 3962.3405 20445.3886 14483.0058 246.9514 -203317.2222 2459.5898 0.0000 0.0000 52245.1916 -109474.7545 300.2538 -161719.9461 -109097.9406 299.1902 100.4350 127.9475 761758.4660 1.0946 1.0264 PRESSURE: 2308800 229.838 123.43 -86.4909 123.43 91.9651 123.026 -86.492 123.025 -17.5435 GPRESSURE: 2308800 317.22 144.032 -133.924 169.645 126.512 6.4748 -106.932 47.1122 -39.6069 PRESSAVG: 2308800 57.9539 -39.7114 0.931517 -39.7115 -50.5824 -54.4822 0.931478 -54.4822 -4.47601 GPRESSAVG: 2308800 58.1903 -41.0599 0.486325 -38.0835 -50.3827 -55.952 -0.695027 -54.877 -5.07848 TIMING: 2308800 CPU: 7292.02, 0.00327363/step Wall: 7292.02, 0.00327363/step, 2.44722 hours remaining, 241.054688 MB of memory in use. ENERGY: 2308800 4015.9729 20587.4595 14454.3980 243.7384 -203504.8113 2650.5745 0.0000 0.0000 52101.0881 -109451.5799 299.4257 -161552.6680 -109090.7407 299.4334 101.4199 134.7082 760273.4128 0.9652 0.9097 PRESSURE: 2309000 -112.94 -76.066 9.74306 -76.066 -50.4677 58.9948 9.74195 58.9946 -216.22 GPRESSURE: 2309000 -120.906 -32.0158 -21.5502 -55.5904 19.3308 33.7233 -80.1449 -77.9684 -189.884 PRESSAVG: 2309000 -14.9592 -52.8225 1.53087 -52.8225 37.3213 -6.61153 1.53088 -6.61143 6.55125 GPRESSAVG: 2309000 -15.4049 -51.9567 -0.177359 -53.6205 37.3512 -6.51193 2.94733 -8.17576 7.59203 TIMING: 2309000 CPU: 7292.67, 0.0032374/step Wall: 7292.67, 0.0032374/step, 2.41996 hours remaining, 241.054688 MB of memory in use. ENERGY: 2309000 4019.6612 20466.0169 14412.8280 251.2006 -203424.3572 2745.9227 0.0000 0.0000 52187.5513 -109341.1766 299.9226 -161528.7278 -108978.9786 299.9933 -126.5427 -97.1532 761673.6709 9.6378 9.8461 PRESSURE: 2309200 329.93 -0.648747 -114.804 -0.648965 -170.813 104.707 -114.804 104.707 344.973 GPRESSURE: 2309200 362.65 32.2045 -80.5021 -64.3198 -132.795 180.086 -207.834 64.2989 353.997 PRESSAVG: 2309200 80.8789 3.12846 19.2529 3.12842 -48.0455 26.0793 19.2529 26.0793 6.74074 GPRESSAVG: 2309200 82.5883 1.02704 17.5809 3.12725 -49.1576 27.0912 20.9137 25.1901 5.4409 TIMING: 2309200 CPU: 7293.32, 0.00326484/step Wall: 7293.32, 0.00326484/step, 2.44028 hours remaining, 241.054688 MB of memory in use. ENERGY: 2309200 3969.8521 20486.1981 14375.0103 258.2469 -203157.9493 2466.9272 0.0000 0.0000 52208.9555 -109392.7592 300.0456 -161601.7148 -109031.9395 299.4024 168.0301 194.6172 762199.6399 13.1914 12.9572 PRESSURE: 2309400 -163.415 -89.7921 166.018 -89.7918 3.02304 72.9196 166.018 72.918 -182.842 GPRESSURE: 2309400 -154.228 -110.256 304.796 -199.002 115.537 94.4287 136.334 136.056 -223.017 PRESSAVG: 2309400 -21.9518 -10.2644 36.6765 -10.2645 23.6141 -20.0005 36.6766 -20.0005 -10.4838 GPRESSAVG: 2309400 -23.1478 -7.63962 39.6245 -10.0415 23.8738 -20.9228 35.5568 -17.1647 -9.5501 TIMING: 2309400 CPU: 7293.97, 0.00322553/step Wall: 7293.97, 0.00322553/step, 2.41073 hours remaining, 241.054688 MB of memory in use. ENERGY: 2309400 4031.9132 20485.4126 14387.7750 241.9605 -203005.6344 2320.8354 0.0000 0.0000 52044.9708 -109492.7669 299.1032 -161537.7377 -109135.1204 299.2372 -114.4113 -87.2360 764384.2784 -2.9405 -2.9414 PRESSURE: 2309600 126.419 -0.944351 -158.033 -0.943578 -268.351 63.8856 -158.033 63.8864 215.555 GPRESSURE: 2309600 51.7576 16.9956 -156.121 15.6972 -103.907 11.7628 -153.142 102.165 216.542 PRESSAVG: 2309600 12.6407 -24.818 10.3904 -24.818 -48.3541 18.6336 10.3904 18.6336 -18.7141 GPRESSAVG: 2309600 12.678 -24.2094 9.45219 -24.6138 -48.0439 18.9066 10.1053 15.6497 -19.313 TIMING: 2309600 CPU: 7294.61, 0.00322385/step Wall: 7294.61, 0.00322385/step, 2.40929 hours remaining, 241.054688 MB of memory in use. ENERGY: 2309600 3957.3579 20455.3706 14411.3139 241.0847 -203254.7394 2383.8746 0.0000 0.0000 52288.2616 -109517.4761 300.5014 -161805.7377 -109151.6887 298.9853 24.5410 54.7974 761909.0688 -18.1425 -18.2263 PRESSURE: 2309800 276.251 100.434 136.216 100.434 58.7745 -198.819 136.217 -198.818 -92.4727 GPRESSURE: 2309800 371.361 13.8468 32.2686 0.763324 25.3653 -183.822 129.457 -106.663 -61.2772 PRESSAVG: 2309800 46.848 24.2108 -56.739 24.2108 -62.4177 -17.2834 -56.739 -17.2833 3.34844 GPRESSAVG: 2309800 46.3555 22.9016 -57.4539 22.619 -61.8491 -18.2484 -55.0111 -15.5584 2.92464 TIMING: 2309800 CPU: 7295.27, 0.00325895/step Wall: 7295.27, 0.00325895/step, 2.43534 hours remaining, 241.054688 MB of memory in use. ENERGY: 2309800 3962.7117 20602.8672 14377.2691 249.7696 -202917.8440 2324.5861 0.0000 0.0000 51897.7067 -109502.9336 298.2568 -161400.6403 -109143.7316 299.1140 80.8510 111.8165 760962.3671 -4.0737 -4.1896 PRESSURE: 2310000 144.184 -51.8547 -35.3465 -51.8539 -280.612 -78.8777 -35.3452 -78.8784 207.783 GPRESSURE: 2310000 138.281 71.0009 -26.445 4.49733 -273.211 -106.484 -62.2366 -13.5197 289.557 PRESSAVG: 2310000 86.9217 50.4401 -0.189548 50.4401 -79.5885 -34.2312 -0.189617 -34.2313 -13.7531 GPRESSAVG: 2310000 86.6469 49.8169 0.0690815 51.645 -79.3284 -33.9122 -1.22418 -33.2444 -13.8089 TIMING: 2310000 CPU: 7295.92, 0.00328003/step Wall: 7295.92, 0.00328003/step, 2.45091 hours remaining, 241.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2310000 3914.6720 20492.1324 14436.3872 256.6862 -203137.2018 2435.9933 0.0000 0.0000 52183.9295 -109417.4013 299.9018 -161601.3308 -109053.6094 299.5357 23.7850 51.5421 760243.5295 -2.1400 -2.1635 PRESSURE: 2310200 -114.456 77.6394 -81.7599 77.6397 -109.543 71.8744 -81.7602 71.8751 -8.24983 GPRESSURE: 2310200 -129.041 -83.014 -123.394 137.724 0.584876 60.5574 -57.997 7.30086 -39.8152 PRESSAVG: 2310200 80.9194 27.686 -29.8508 27.686 -41.8635 13.2447 -29.8507 13.2447 13.4185 GPRESSAVG: 2310200 80.912 29.2228 -29.5984 27.0345 -42.5405 13.2738 -28.0974 11.8458 14.0491 TIMING: 2310200 CPU: 7296.57, 0.00326756/step Wall: 7296.57, 0.00326756/step, 2.44141 hours remaining, 241.054688 MB of memory in use. ENERGY: 2310200 3940.5417 20587.8737 14353.1279 244.8540 -202987.4781 2254.9479 0.0000 0.0000 52062.0874 -109544.0454 299.2015 -161606.1328 -109184.6082 299.4798 -77.4163 -56.0905 759881.4904 17.4915 17.4735 PRESSURE: 2310400 117.931 -119.922 -64.8495 -119.922 202.92 -74.2289 -64.8491 -74.2282 -327.128 GPRESSURE: 2310400 175.753 -38.1986 -82.3067 -93.8228 126.521 -48.887 -100.819 -57.9387 -220.536 PRESSAVG: 2310400 -16.7743 -39.0963 -4.82197 -39.0963 52.7845 5.91163 -4.82199 5.91167 13.0807 GPRESSAVG: 2310400 -15.4099 -39.3805 -5.96753 -39.9668 52.4489 6.76716 -4.18145 5.08714 12.2677 TIMING: 2310400 CPU: 7297.22, 0.0032483/step Wall: 7297.22, 0.0032483/step, 2.42684 hours remaining, 241.054688 MB of memory in use. ENERGY: 2310400 4025.7470 20593.8593 14370.8323 256.2960 -203277.6323 2468.9396 0.0000 0.0000 52047.2657 -109514.6925 299.1164 -161561.9582 -109161.0061 298.9892 -2.0921 27.2459 759623.6335 16.3637 16.4356 PRESSURE: 2310600 137.341 -26.9295 -17.2936 -26.929 282.096 85.4697 -17.2934 85.4696 342.639 GPRESSURE: 2310600 46.2109 -107.837 -51.7135 22.7277 376.752 58.5825 -17.6403 75.2652 416.931 PRESSAVG: 2310600 15.8662 15.6066 54.598 15.6066 7.22933 14.9405 54.598 14.9405 -4.35 GPRESSAVG: 2310600 14.2797 15.0451 55.806 17.2734 8.35609 15.7756 53.4605 16.401 -3.61537 TIMING: 2310600 CPU: 7297.87, 0.00324553/step Wall: 7297.87, 0.00324553/step, 2.42459 hours remaining, 241.054688 MB of memory in use. ENERGY: 2310600 3936.8940 20521.0682 14389.6568 274.1240 -203261.4352 2545.5861 0.0000 0.0000 52146.8177 -109447.2882 299.6885 -161594.1059 -109082.9144 299.4709 254.0254 279.9645 759801.4696 6.2485 6.3401 PRESSURE: 2310800 -12.9453 -162.43 200.66 -162.43 404.371 100.785 200.66 100.785 355.612 GPRESSURE: 2310800 60.5751 9.83699 173.729 -199.649 394.983 -6.52759 318.597 56.6495 387.182 PRESSAVG: 2310800 3.64916 12.0173 19.8571 12.0174 40.1989 -41.4363 19.8571 -41.4365 -10.7569 GPRESSAVG: 2310800 4.61729 12.1162 19.4015 10.311 39.1029 -42.4587 19.4873 -41.9416 -10.453 TIMING: 2310800 CPU: 7298.52, 0.00324287/step Wall: 7298.52, 0.00324287/step, 2.42242 hours remaining, 241.054688 MB of memory in use. ENERGY: 2310800 3990.9054 20452.2777 14441.6616 245.5617 -202906.7105 2234.1133 0.0000 0.0000 52101.4589 -109440.7318 299.4278 -161542.1908 -109074.9781 299.6718 249.0124 280.9132 760136.8520 11.0304 11.0891 PRESSURE: 2311000 -408.878 126.275 5.7027 126.274 -117.268 -50.5359 5.70297 -50.5358 -131.02 GPRESSURE: 2311000 -270.845 218.871 39.1435 147.647 -160.15 -70.2312 3.22592 -54.1622 -118.779 PRESSAVG: 2311000 35.1958 -12.2825 -8.85573 -12.2825 -45.8062 -0.126471 -8.85574 -0.126474 -7.43087 GPRESSAVG: 2311000 33.2557 -12.2552 -7.95979 -10.7975 -44.4018 -0.709824 -9.55326 -0.426501 -7.59946 TIMING: 2311000 CPU: 7299.17, 0.00326048/step Wall: 7299.17, 0.00326048/step, 2.4354 hours remaining, 241.054688 MB of memory in use. ENERGY: 2311000 4038.6591 20464.9704 14340.4661 249.8419 -202838.7242 2484.2696 0.0000 0.0000 51895.8955 -109364.6216 298.2464 -161260.5171 -109007.9310 299.2523 -219.0554 -183.2580 761154.1589 -6.0137 -6.2485 PRESSURE: 2311200 -36.6809 12.9163 -76.9731 12.9163 108.331 6.30614 -76.9722 6.30588 83.4602 GPRESSURE: 2311200 9.93836 -93.8756 -68.0359 103.577 159.178 41.052 -143.258 35.578 85.9117 PRESSAVG: 2311200 -12.9828 -19.9108 -38.584 -19.9107 15.1106 0.796638 -38.5839 0.79667 11.2291 GPRESSAVG: 2311200 -10.9448 -18.9819 -38.7984 -23.1802 14.904 0.750734 -37.4228 0.351469 10.3071 TIMING: 2311200 CPU: 7299.83, 0.00325668/step Wall: 7299.83, 0.00325668/step, 2.43238 hours remaining, 241.054688 MB of memory in use. ENERGY: 2311200 4122.0772 20338.7798 14459.1142 255.3322 -202684.7171 2261.0127 0.0000 0.0000 52008.3012 -109240.0998 298.8924 -161248.4010 -108874.9043 299.5857 51.7035 85.0092 760847.3730 4.4523 4.7554 PRESSURE: 2311400 33.9021 -78.9881 -44.701 -78.9878 -489.86 -95.3056 -44.7011 -95.3055 -326.003 GPRESSURE: 2311400 39.3221 68.0542 -39.277 -95.8446 -424.751 44.515 -51.1086 -66.171 -305.364 PRESSAVG: 2311400 45.9055 19.2607 -40.811 19.2606 4.22622 -3.83413 -40.811 -3.83408 -2.39334 GPRESSAVG: 2311400 46.2544 19.1852 -41.4034 22.3326 4.66278 -3.00047 -42.3824 -3.17868 -3.11514 TIMING: 2311400 CPU: 7300.48, 0.0032634/step Wall: 7300.48, 0.0032634/step, 2.43721 hours remaining, 241.054688 MB of memory in use. ENERGY: 2311400 3984.7492 20592.1994 14515.7479 250.7990 -202832.7161 2295.7936 0.0000 0.0000 51977.7480 -109215.6790 298.7168 -161193.4270 -108863.8162 300.0524 -260.6536 -230.2642 762332.8980 15.9128 15.9340 PRESSURE: 2311600 149.624 106.792 46.7229 106.792 -202.942 -142.446 46.7234 -142.445 -26.9592 GPRESSURE: 2311600 153.304 53.9841 25.6904 192.919 -203.914 -259.388 28.7717 -93.0939 46.5789 PRESSAVG: 2311600 28.3339 0.290101 -43.1272 0.29013 -111.118 -12.5352 -43.1272 -12.5352 13.795 GPRESSAVG: 2311600 27.3533 -0.127397 -42.7262 -0.163972 -111.765 -13.5448 -42.4147 -11.8904 15.7617 TIMING: 2311600 CPU: 7301.13, 0.00324703/step Wall: 7301.13, 0.00324703/step, 2.42481 hours remaining, 241.054688 MB of memory in use. ENERGY: 2311600 3943.6481 20457.0095 14375.9853 231.9938 -202997.3058 2418.4629 0.0000 0.0000 52360.2802 -109209.9260 300.9152 -161570.2062 -108844.4411 299.9528 -26.7591 -1.3439 760914.5104 -22.9963 -22.8833 PRESSURE: 2311800 51.3403 -74.3103 27.8427 -74.3096 136.821 48.8399 27.8426 48.8403 351.985 GPRESSURE: 2311800 112.564 -36.2237 23.4467 11.8668 136.182 -3.93257 37.1808 114.567 372.181 PRESSAVG: 2311800 59.5878 3.44625 -25.2421 3.44621 -64.3871 17.492 -25.242 17.4919 -7.80393 GPRESSAVG: 2311800 59.5676 2.91157 -25.5301 2.82266 -63.8586 16.3701 -24.8674 16.7679 -8.70095 TIMING: 2311800 CPU: 7301.78, 0.00324581/step Wall: 7301.78, 0.00324581/step, 2.42372 hours remaining, 241.054688 MB of memory in use. ENERGY: 2311800 3953.9892 20575.9707 14460.2211 251.2874 -203088.1031 2394.8237 0.0000 0.0000 52087.7053 -109364.1056 299.3488 -161451.8109 -109011.6833 299.8567 180.0487 206.9755 759226.2735 -4.2011 -4.3307 PRESSURE: 2312000 40.6139 156.368 27.1723 156.366 83.1736 194.169 27.1723 194.17 501.671 GPRESSURE: 2312000 80.6427 27.6927 13.0449 164.616 179.924 246.112 -31.1018 -7.30352 458.747 PRESSAVG: 2312000 59.1558 7.47928 29.2637 7.47925 -75.8815 -23.1016 29.2636 -23.1016 26.7687 GPRESSAVG: 2312000 59.6761 7.40564 28.9005 10.8822 -75.6859 -20.6236 29.4876 -24.0914 26.5116 TIMING: 2312000 CPU: 7302.43, 0.00327531/step Wall: 7302.43, 0.00327531/step, 2.44556 hours remaining, 241.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2312000 3976.3978 20382.5872 14385.7507 262.7804 -202802.5079 2283.5633 0.0000 0.0000 52190.8907 -109320.5378 299.9418 -161511.4285 -108961.5462 299.2262 208.4862 239.7713 760272.1670 3.3477 3.5006 PRESSURE: 2312200 33.0658 -47.3623 -107.462 -47.3619 -96.1465 14.4861 -107.463 14.4858 265.614 GPRESSURE: 2312200 -10.8012 -129.584 -181.839 -132.206 46.2581 20.4108 -103.609 7.90965 231.914 PRESSAVG: 2312200 39.3838 42.3759 19.4013 42.3759 -45.5982 18.1107 19.4013 18.1108 -3.05733 GPRESSAVG: 2312200 39.1613 40.6722 19.1025 40.2041 -45.7916 16.8473 18.3836 20.0655 -2.3997 TIMING: 2312200 CPU: 7303.08, 0.0032408/step Wall: 7303.08, 0.0032408/step, 2.41962 hours remaining, 241.054688 MB of memory in use. ENERGY: 2312200 4022.7750 20469.1187 14463.7888 253.3830 -203061.4298 2670.9795 0.0000 0.0000 52097.8607 -109083.5241 299.4071 -161181.3849 -108715.1312 300.0166 67.5111 89.1235 762051.2591 -3.0906 -3.0100 LDB: ============= START OF LOAD BALANCING ============== 7315.49 LDB: ============== END OF LOAD BALANCING =============== 7315.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7315.49 LDB: ============= START OF LOAD BALANCING ============== 7315.81 LDB: Largest compute 7034 load 0.037624 is 19.2% of average load 0.195951 LDB: Average compute 0.004399 is 2.2% of average load 0.195951 LDB: TIME 7315.81 LOAD: AVG 0.195951 MAX 0.217359 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.957 MB LDB: TIME 7315.81 LOAD: AVG 0.195951 MAX 0.217359 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: TIME 7315.81 LOAD: AVG 0.195951 MAX 0.217359 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: ============== END OF LOAD BALANCING =============== 7315.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7315.82 PRESSURE: 2312400 581.096 -221.022 -48.2856 -221.022 -53.385 -88.1086 -48.2861 -88.1084 -8.45023 GPRESSURE: 2312400 513.316 -188.444 -86.7973 -151.279 45.9309 -80.781 25.2143 -129.956 49.415 PRESSAVG: 2312400 54.781 24.1177 25.313 24.1177 -52.4023 57.8181 25.313 57.8181 4.70491 GPRESSAVG: 2312400 53.7268 24.8671 26.8094 23.277 -52.2534 57.6289 26.9032 58.5014 6.04276 TIMING: 2312400 CPU: 7303.74, 0.00329403/step Wall: 7303.74, 0.00329403/step, 2.45918 hours remaining, 238.789062 MB of memory in use. ENERGY: 2312400 3998.0540 20605.4146 14457.3798 245.6750 -203171.4225 2572.6926 0.0000 0.0000 52167.5900 -109124.6166 299.8079 -161292.2066 -108772.5406 300.0045 173.0869 202.8874 760462.4520 2.3612 2.5054 PRESSURE: 2312600 380.656 210.903 201.11 210.903 -47.7289 -63.301 201.11 -63.3012 -94.4372 GPRESSURE: 2312600 388.392 138.008 210.627 276.555 -42.3256 -106.897 106.175 33.0949 -27.3493 PRESSAVG: 2312600 58.667 -39.9323 -31.0339 -39.9323 -71.7551 47.9107 -31.0339 47.9108 -17.8173 GPRESSAVG: 2312600 59.4959 -39.803 -29.9313 -39.512 -71.0216 46.5704 -31.2764 45.1537 -19.3842 TIMING: 2312600 CPU: 7304.38, 0.00320836/step Wall: 7304.38, 0.00320836/step, 2.39504 hours remaining, 238.789062 MB of memory in use. ENERGY: 2312600 3929.9985 20479.1130 14375.6663 245.2621 -203311.8284 2764.1511 0.0000 0.0000 52287.9992 -109229.6381 300.4999 -161517.6374 -108863.6090 299.6683 79.4965 106.2389 760704.0756 -10.3018 -10.3033 PRESSURE: 2312800 332.733 -104.787 -322.793 -104.787 83.4064 -81.7064 -322.793 -81.7074 437.487 GPRESSURE: 2312800 289.3 11.3319 -306.798 -35.5709 277.432 -36.3632 -296.194 52.9937 365.261 PRESSAVG: 2312800 -7.30802 7.1632 3.33451 7.16318 25.559 -9.78188 3.33456 -9.78187 11.7007 GPRESSAVG: 2312800 -8.12338 9.50881 2.38148 5.75259 26.6833 -7.23411 2.23312 -9.30246 11.2296 TIMING: 2312800 CPU: 7305.02, 0.0032128/step Wall: 7305.02, 0.0032128/step, 2.39818 hours remaining, 238.789062 MB of memory in use. ENERGY: 2312800 3922.3022 20369.0700 14409.2106 252.5031 -202682.1870 2283.0334 0.0000 0.0000 51900.3121 -109545.7556 298.2718 -161446.0677 -109179.6057 299.3091 284.5422 310.6644 760256.8429 9.9839 9.9298 PRESSURE: 2313000 326.491 -101.57 -26.164 -101.57 55.736 20.4077 -26.1644 20.4075 -70.5672 GPRESSURE: 2313000 378.703 -121.507 44.7198 -12.0186 92.0655 -50.418 -124.143 -15.6228 -78.8451 PRESSAVG: 2313000 45.7435 65.0119 -49.4122 65.0118 1.44634 32.5802 -49.4121 32.5803 2.00349 GPRESSAVG: 2313000 45.6936 63.7943 -51.2665 68.3683 0.990165 31.5275 -46.6742 34.0298 3.01895 TIMING: 2313000 CPU: 7305.67, 0.00322448/step Wall: 7305.67, 0.00322448/step, 2.40671 hours remaining, 238.789062 MB of memory in use. ENERGY: 2313000 4007.4627 20599.7215 14488.2065 261.2206 -203552.2218 2711.2593 0.0000 0.0000 52031.8919 -109452.4592 299.0280 -161484.3511 -109103.6459 298.8520 103.8867 130.6412 758852.4552 16.3978 16.5676 PRESSURE: 2313200 25.813 234.776 -14.6426 234.776 -289.92 2.99375 -14.6434 2.99242 -539.255 GPRESSURE: 2313200 97.5448 207.379 -7.32493 184.68 -304.634 108.647 -29.9209 -6.84503 -533.995 PRESSAVG: 2313200 24.0691 58.9796 9.09716 58.9796 -31.6252 21.9091 9.09718 21.9091 -9.14118 GPRESSAVG: 2313200 26.4589 57.7318 9.05401 57.5901 -34.2433 21.3132 9.04365 20.5272 -8.73901 TIMING: 2313200 CPU: 7306.32, 0.00326382/step Wall: 7306.32, 0.00326382/step, 2.4359 hours remaining, 238.789062 MB of memory in use. ENERGY: 2313200 4060.3351 20665.6614 14492.8331 242.5799 -203122.0703 2257.8527 0.0000 0.0000 52037.4884 -109365.3195 299.0602 -161402.8079 -108999.2708 299.1037 -267.7874 -247.0278 760007.6349 -5.5658 -5.5078 PRESSURE: 2313400 -513.089 76.8229 9.72029 76.8231 -336.176 126.713 9.72137 126.713 -105.947 GPRESSURE: 2313400 -484.22 30.4329 41.6986 106.229 -237.69 231.049 82.3044 75.7742 -165.411 PRESSAVG: 2313400 16.2399 23.5674 -60.8591 23.5674 -9.00147 34.0264 -60.859 34.0265 -4.03611 GPRESSAVG: 2313400 15.5616 24.2246 -57.9678 22.7052 -7.30466 36.1576 -63.3162 35.3948 -5.34654 TIMING: 2313400 CPU: 7306.97, 0.00324744/step Wall: 7306.97, 0.00324744/step, 2.42349 hours remaining, 238.789062 MB of memory in use. ENERGY: 2313400 4072.8669 20362.2088 14450.0416 245.1473 -203108.0445 2360.3935 0.0000 0.0000 52298.0655 -109319.3207 300.5577 -161617.3862 -108962.3334 299.6692 -318.4038 -295.7736 760710.9269 1.0674 0.9701 PRESSURE: 2313600 86.8078 -9.36948 45.118 -9.37008 29.2456 -60.787 45.1187 -60.7868 -40.9283 GPRESSURE: 2313600 109.552 36.139 64.6204 -62.2906 79.0106 -52.1923 158.139 -74.701 -25.1301 PRESSAVG: 2313600 26.3938 51.9726 11.0416 51.9727 -10.48 59.0397 11.0416 59.0397 -26.7314 GPRESSAVG: 2313600 26.5636 52.6424 8.87986 50.051 -11.1105 57.5021 11.8908 57.6384 -26.4478 TIMING: 2313600 CPU: 7307.62, 0.00322475/step Wall: 7307.62, 0.00322475/step, 2.40638 hours remaining, 238.789062 MB of memory in use. ENERGY: 2313600 3972.9456 20477.5019 14491.5303 251.4327 -203129.7263 2327.0534 0.0000 0.0000 52097.2372 -109512.0253 299.4035 -161609.2625 -109147.4097 299.5306 25.0417 54.4774 761127.2541 -3.6059 -3.6649 PRESSURE: 2313800 -150.263 151.387 -249.186 151.387 -229.056 -100.988 -249.187 -100.99 71.2646 GPRESSURE: 2313800 -236.176 179.986 -265.462 59.7832 -88.5925 -195.981 -201.367 85.2911 111.45 PRESSAVG: 2313800 -42.6069 17.4433 25.2286 17.4432 40.8001 33.6626 25.2286 33.6626 -24.407 GPRESSAVG: 2313800 -43.9117 16.5919 27.7459 20.1205 41.9099 34.3307 24.1784 35.1147 -24.4804 TIMING: 2313800 CPU: 7308.26, 0.00323832/step Wall: 7308.26, 0.00323832/step, 2.41633 hours remaining, 238.789062 MB of memory in use. ENERGY: 2313800 3911.1030 20654.4921 14396.3316 239.0753 -202725.3392 2280.6387 0.0000 0.0000 51979.8584 -109263.8401 298.7290 -161243.6985 -108910.5806 298.8895 -102.6847 -71.1061 762281.2482 -8.7379 -8.8274 PRESSURE: 2314000 165.88 -52.5775 -281.946 -52.5781 139.11 -18.5783 -281.944 -18.5781 167.063 GPRESSURE: 2314000 106.826 5.3653 -338.153 -155.502 217.793 -32.2267 -162.971 -25.0327 228.823 PRESSAVG: 2314000 -51.8278 33.5942 -46.5048 33.5942 29.4905 34.2669 -46.5048 34.267 15.6433 GPRESSAVG: 2314000 -51.3941 33.8351 -45.8023 32.8069 29.1432 33.7032 -47.6747 34.358 15.8786 TIMING: 2314000 CPU: 7308.91, 0.00324028/step Wall: 7308.91, 0.00324028/step, 2.41761 hours remaining, 238.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2314000 4023.9219 20606.6658 14484.5630 259.7772 -203356.9097 2682.6700 0.0000 0.0000 51999.1276 -109300.1843 298.8397 -161299.3119 -108941.1609 299.3275 157.3511 184.4808 762439.7940 -2.2313 -2.1241 PRESSURE: 2314200 -161.509 -69.0673 -85.1528 -69.0667 -127.75 -23.572 -85.1527 -23.5716 -76.9647 GPRESSURE: 2314200 -75.9856 -116.554 -165.372 -29.6747 -96.8193 7.27047 108.43 -65.4175 -104.354 PRESSAVG: 2314200 -43.3546 8.22663 -24.4544 8.22663 9.89593 6.3606 -24.4544 6.3605 14.7803 GPRESSAVG: 2314200 -44.6939 7.91675 -24.4006 8.39677 11.9142 6.17213 -23.0075 5.95161 14.0616 TIMING: 2314200 CPU: 7309.57, 0.00327877/step Wall: 7309.57, 0.00327877/step, 2.44615 hours remaining, 238.789062 MB of memory in use. ENERGY: 2314200 3979.0041 20471.3807 14385.7602 235.3880 -203044.5899 2672.7998 0.0000 0.0000 52130.8630 -109169.3942 299.5968 -161300.2572 -108810.0634 299.4495 -122.0744 -92.3864 762355.5070 -6.2261 -6.2394 PRESSURE: 2314400 24.7609 -96.3731 -259.843 -96.3722 201.138 -171.018 -259.843 -171.018 207.908 GPRESSURE: 2314400 94.686 -135.974 -259.164 -181.219 218.65 -181.143 -204.242 -122.372 221.893 PRESSAVG: 2314400 17.6938 23.4998 -57.587 23.4998 26.5184 -6.90959 -57.5871 -6.90957 -12.3253 GPRESSAVG: 2314400 19.2206 22.994 -58.2427 23.4863 24.1425 -6.5043 -56.626 -8.40817 -11.8106 TIMING: 2314400 CPU: 7310.21, 0.00323659/step Wall: 7310.21, 0.00323659/step, 2.4145 hours remaining, 238.789062 MB of memory in use. ENERGY: 2314400 3945.0209 20508.2398 14411.7807 243.8654 -203433.6832 2894.3177 0.0000 0.0000 52296.5658 -109133.8928 300.5491 -161430.4587 -108779.5609 299.4249 144.6025 178.4097 762692.1872 10.6290 10.5175 PRESSURE: 2314600 65.1 -20.3032 -66.4419 -20.3032 -346.052 14.2336 -66.4411 14.2349 -379.079 GPRESSURE: 2314600 -18.6318 -146.596 -14.5431 100.268 -196.844 -11.639 -70.7903 -22.2171 -348.947 PRESSAVG: 2314600 -64.5735 29.2266 -26.3932 29.2265 76.7758 23.0808 -26.3932 23.0809 -11.7672 GPRESSAVG: 2314600 -65.1532 31.7049 -25.8248 28.658 77.2546 23.0242 -26.5866 24.293 -11.9524 TIMING: 2314600 CPU: 7310.86, 0.00324129/step Wall: 7310.86, 0.00324129/step, 2.41782 hours remaining, 238.789062 MB of memory in use. ENERGY: 2314600 3918.1744 20572.9122 14403.9016 239.6952 -202667.6688 2077.5050 0.0000 0.0000 52085.6684 -109369.8120 299.3371 -161455.4804 -109001.4201 299.3485 -220.0103 -188.1411 761394.4833 0.1450 0.0497 PRESSURE: 2314800 -203.293 -15.3125 48.2733 -15.3124 415.15 9.44396 48.2735 9.44444 -134.769 GPRESSURE: 2314800 -70.1748 71.6135 18.8379 -25.4592 293.779 115.26 2.8972 -60.9509 -67.6685 PRESSAVG: 2314800 -43.5166 -10.1007 -47.8379 -10.1007 20.4872 36.3615 -47.838 36.3614 19.0551 GPRESSAVG: 2314800 -43.597 -12.2844 -50.1372 -10.046 19.9373 35.8697 -46.8821 36.3834 19.5307 TIMING: 2314800 CPU: 7311.52, 0.00326822/step Wall: 7311.52, 0.00326822/step, 2.43773 hours remaining, 238.789062 MB of memory in use. ENERGY: 2314800 4007.8317 20485.3630 14392.6706 246.2862 -203289.5872 2643.7285 0.0000 0.0000 52254.5225 -109259.1847 300.3075 -161513.7072 -108906.5672 299.7229 25.6959 51.9785 759256.5995 -1.3248 -1.3763 PRESSURE: 2315000 -71.832 -1.12982 -106.685 -1.12928 -292.234 102.288 -106.685 102.288 -193.735 GPRESSURE: 2315000 -81.9276 0.658889 -204.675 37.1633 -204.164 125.173 -103.27 126.197 -169.597 PRESSAVG: 2315000 -57.5973 -14.4295 -46.4406 -14.4295 61.9934 14.2253 -46.4405 14.2252 -16.1973 GPRESSAVG: 2315000 -56.9448 -14.1351 -44.9891 -14.5991 62.1939 13.2096 -48.4746 15.1068 -16.7805 TIMING: 2315000 CPU: 7312.16, 0.00323021/step Wall: 7312.16, 0.00323021/step, 2.4092 hours remaining, 238.789062 MB of memory in use. ENERGY: 2315000 4033.5198 20301.1354 14511.0356 227.1004 -203108.3532 2072.5149 0.0000 0.0000 52330.3890 -109632.6581 300.7435 -161963.0471 -109265.1735 299.9706 -185.9336 -151.8963 759844.6213 -3.9337 -3.8438 PRESSURE: 2315200 93.7148 -65.5576 -20.0072 -65.5571 -385.859 36.5381 -20.0067 36.538 -154.447 GPRESSURE: 2315200 58.4597 25.8588 41.0442 -51.3552 -231.948 -2.89257 -27.2339 74.2353 -175.123 PRESSAVG: 2315200 -1.20393 30.3583 9.59659 30.3582 -1.27905 8.2894 9.59656 8.28942 7.52259 GPRESSAVG: 2315200 -2.74304 31.2241 8.422 30.4453 -0.175765 10.6556 11.0706 7.29079 7.92522 TIMING: 2315200 CPU: 7312.81, 0.00323657/step Wall: 7312.81, 0.00323657/step, 2.41376 hours remaining, 238.789062 MB of memory in use. ENERGY: 2315200 4049.2429 20587.0132 14390.0729 229.4222 -203434.2381 2656.6476 0.0000 0.0000 52103.7665 -109418.0728 299.4411 -161521.8394 -109058.3647 299.5971 -148.8639 -116.2040 759957.3659 1.6799 1.6688 PRESSURE: 2315400 -126.069 141.614 11.4918 141.614 -127.388 -4.8132 11.4916 -4.81258 535.623 GPRESSURE: 2315400 -61.7595 85.8338 -20.7066 203.51 -134.829 22.6463 34.6483 -119.508 556.826 PRESSAVG: 2315400 4.88712 17.7854 -66.7489 17.7854 24.0068 30.1465 -66.7489 30.1465 25.2611 GPRESSAVG: 2315400 6.94131 15.9387 -66.0465 16.7082 22.711 29.7044 -66.1347 29.4953 24.276 TIMING: 2315400 CPU: 7313.45, 0.00320961/step Wall: 7313.45, 0.00320961/step, 2.39348 hours remaining, 238.789062 MB of memory in use. ENERGY: 2315400 4005.2808 20786.1854 14375.5083 240.8331 -203971.0636 3048.1839 0.0000 0.0000 52277.7854 -109237.2867 300.4412 -161515.0721 -108880.0712 300.1186 94.0552 120.0790 760875.3718 18.0517 17.9761 PRESSURE: 2315600 -351.66 85.4756 -11.357 85.4761 291.304 292.109 -11.3568 292.109 98.2669 GPRESSURE: 2315600 -265.781 51.8842 19.0565 38.7167 355.254 244.916 -50.8275 205.155 43.39 PRESSAVG: 2315600 10.276 -6.39254 -71.6215 -6.39249 -6.76081 56.1864 -71.6216 56.1865 -6.27425 GPRESSAVG: 2315600 9.85756 -4.311 -70.7265 -5.93291 -6.6737 55.4136 -72.9084 55.7941 -6.46318 TIMING: 2315600 CPU: 7314.1, 0.00326485/step Wall: 7314.1, 0.00326485/step, 2.43449 hours remaining, 238.789062 MB of memory in use. ENERGY: 2315600 3981.7299 20642.4239 14409.0358 238.5333 -203346.8297 2590.3244 0.0000 0.0000 52280.3245 -109204.4580 300.4557 -161484.7825 -108838.0066 299.6774 12.6370 44.2877 762482.8619 -0.9197 -1.0931 PRESSURE: 2315800 131.453 -9.60797 159.685 -9.60735 50.0285 -54.8202 159.684 -54.8206 -397.338 GPRESSURE: 2315800 206.453 -13.7654 169.17 -0.606521 97.6513 -111.977 128.203 117.79 -424.661 PRESSAVG: 2315800 -18.915 17.9384 -14.8049 17.9384 16.6832 -17.9347 -14.8049 -17.9347 -2.24102 GPRESSAVG: 2315800 -17.6105 17.9585 -17.7102 16.8869 16.8717 -17.3237 -13.9067 -15.7544 -2.88639 TIMING: 2315800 CPU: 7314.75, 0.00324348/step Wall: 7314.75, 0.00324348/step, 2.41838 hours remaining, 238.789062 MB of memory in use. ENERGY: 2315800 4108.1632 20449.5816 14565.1186 237.7014 -203334.8653 2601.1720 0.0000 0.0000 52182.2918 -109190.8367 299.8923 -161373.1285 -108829.0364 300.1264 -71.9523 -40.1856 762025.3819 -1.4909 -1.2084 PRESSURE: 2316000 -204.801 -63.9675 -13.282 -63.9674 291.65 12.5267 -13.2817 12.5262 207.822 GPRESSURE: 2316000 -147.812 -1.22255 37.0739 -40.2776 338.469 34.916 -44.6107 69.1663 183.866 PRESSAVG: 2316000 -28.2246 41.3355 -1.03945 41.3355 30.9476 30.3733 -1.0394 30.3732 -7.89113 GPRESSAVG: 2316000 -29.8804 41.6767 -0.335611 42.7123 32.423 27.7689 -0.584381 32.0624 -7.00763 TIMING: 2316000 CPU: 7315.39, 0.00320333/step Wall: 7315.39, 0.00320333/step, 2.38826 hours remaining, 238.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2316000 4045.3123 20550.1606 14393.0315 250.8572 -203119.1536 2652.4173 0.0000 0.0000 52179.9610 -109047.4136 299.8790 -161227.3746 -108688.5570 300.0538 98.2234 124.8409 762950.2829 -1.7227 -1.4883 PRESSURE: 2316200 54.7258 -353.075 -48.4527 -353.074 114.895 120.401 -48.4525 120.4 -140.025 GPRESSURE: 2316200 191.838 -230.421 -82.0673 -253.058 150.909 106.384 21.4208 191.066 -241.631 PRESSAVG: 2316200 -50.806 -3.2777 -27.2985 -3.27765 55.0961 57.7637 -27.2985 57.7637 7.82469 GPRESSAVG: 2316200 -51.1662 -3.95394 -27.8528 -4.41572 55.5023 61.5036 -28.1606 53.9858 7.26425 TIMING: 2316200 CPU: 7316.04, 0.00322416/step Wall: 7316.04, 0.00322416/step, 2.40361 hours remaining, 238.789062 MB of memory in use. ENERGY: 2316200 4072.8208 20516.2004 14399.1566 237.9035 -202962.1006 2588.0276 0.0000 0.0000 52246.0443 -108901.9474 300.2587 -161147.9917 -108535.8255 300.3721 9.8652 33.7052 763016.3778 4.0383 3.8668 LDB: ============= START OF LOAD BALANCING ============== 7328.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7328.44 LDB: =============== DONE WITH MIGRATION ================ 7328.44 LDB: ============= START OF LOAD BALANCING ============== 7328.77 LDB: Largest compute 7034 load 0.037047 is 18.9% of average load 0.195851 LDB: Average compute 0.004396 is 2.2% of average load 0.195851 LDB: TIME 7328.77 LOAD: AVG 0.195851 MAX 0.21708 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 7328.77 LOAD: AVG 0.195851 MAX 0.21708 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.844 MB LDB: TIME 7328.77 LOAD: AVG 0.195851 MAX 0.21708 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.844 MB LDB: ============== END OF LOAD BALANCING =============== 7328.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7328.78 PRESSURE: 2316400 -18.2204 155.134 19.1564 155.135 -246.483 307.258 19.1565 307.258 383.247 GPRESSURE: 2316400 96.724 52.2323 -32.1337 58.5839 -201.767 288.676 113.749 345.86 339.696 PRESSAVG: 2316400 9.42463 -16.3355 3.15541 -16.3355 -2.38571 54.5366 3.15542 54.5366 -4.69709 GPRESSAVG: 2316400 9.97342 -17.4267 4.38403 -15.3924 -4.94759 53.5218 5.35329 56.7023 -2.86098 TIMING: 2316400 CPU: 7316.7, 0.00328683/step Wall: 7316.7, 0.00328683/step, 2.45015 hours remaining, 237.843750 MB of memory in use. ENERGY: 2316400 4079.9223 20583.3380 14509.8617 254.6389 -202897.8270 2350.5842 0.0000 0.0000 52310.0305 -108809.4513 300.6265 -161119.4819 -108444.3526 300.1457 39.5143 78.2177 762408.7844 0.7806 0.7216 PRESSURE: 2316600 82.9316 20.7328 -169.055 20.7339 -235.11 87.4734 -169.055 87.4739 40.956 GPRESSURE: 2316600 99.3473 -46.1799 -196.522 80.2382 -137.358 -16.7151 -200.384 -0.536344 23.8521 PRESSAVG: 2316600 -1.93816 -7.53761 -85.1736 -7.53761 13.043 31.7132 -85.1736 31.7133 15.4179 GPRESSAVG: 2316600 -2.04344 -7.95086 -83.3005 -8.72767 13.9713 30.8776 -88.1573 29.262 13.9971 TIMING: 2316600 CPU: 7317.35, 0.00325847/step Wall: 7317.35, 0.00325847/step, 2.42883 hours remaining, 237.843750 MB of memory in use. ENERGY: 2316600 4005.0845 20619.3584 14443.1454 267.2644 -203018.5608 2529.4607 0.0000 0.0000 52367.3938 -108786.8535 300.9561 -161154.2473 -108422.1174 300.6142 -37.0741 -4.7197 761922.0698 8.8409 8.6417 PRESSURE: 2316800 349.583 136.343 -21.3621 136.342 287.624 -167.967 -21.3626 -167.968 18.2582 GPRESSURE: 2316800 374.842 209.306 -120.666 275.033 324.637 -70.5795 -44.2312 -93.0353 45.863 PRESSAVG: 2316800 -17.6703 -4.29248 -3.98569 -4.29247 9.41114 -27.7234 -3.98573 -27.7234 -11.7012 GPRESSAVG: 2316800 -18.4329 -1.92696 -5.71097 -3.42321 9.58138 -28.2385 -4.41611 -24.9924 -11.036 TIMING: 2316800 CPU: 7318.01, 0.0032897/step Wall: 7318.01, 0.0032897/step, 2.45193 hours remaining, 237.843750 MB of memory in use. ENERGY: 2316800 4005.1148 20760.4233 14453.4688 262.4041 -203049.7218 2521.7937 0.0000 0.0000 52162.9652 -108883.5520 299.7813 -161046.5171 -108528.4962 300.6600 218.4885 248.4475 760650.7522 -6.6534 -6.6292 PRESSURE: 2317000 -203.238 -117.627 -55.4997 -117.626 -28.108 275.178 -55.4997 275.176 198.399 GPRESSURE: 2317000 -76.2443 -120.078 -42.5227 -96.1965 -5.37806 151.279 -90.129 155.773 148.304 PRESSAVG: 2317000 -15.544 15.4741 -55.6021 15.4741 37.294 31.4566 -55.6021 31.4565 -15.5038 GPRESSAVG: 2317000 -15.4328 15.1207 -55.4885 15.0961 37.2034 30.0583 -53.7146 32.5894 -15.6414 TIMING: 2317000 CPU: 7318.66, 0.00327578/step Wall: 7318.66, 0.00327578/step, 2.44137 hours remaining, 237.843750 MB of memory in use. ENERGY: 2317000 3974.9670 20522.2310 14488.9923 256.6241 -202902.0431 2364.4042 0.0000 0.0000 52029.6050 -109265.2196 299.0149 -161294.8245 -108910.1406 300.3170 -10.9824 22.2274 762376.8522 2.0821 2.0430 PRESSURE: 2317200 -284.28 -34.0826 -35.1567 -34.0831 -83.3517 114.609 -35.1565 114.609 -154.777 GPRESSURE: 2317200 -155.651 -30.078 -6.17787 1.80719 -39.552 144.249 -52.0416 166.52 -228.229 PRESSAVG: 2317200 -29.7654 3.51657 -3.43905 3.51665 7.38432 8.94826 -3.43907 8.94827 0.232906 GPRESSAVG: 2317200 -29.3033 3.88867 -2.83023 3.17703 8.69652 10.413 -5.11603 9.35343 -1.25696 TIMING: 2317200 CPU: 7319.31, 0.0032648/step Wall: 7319.31, 0.0032648/step, 2.433 hours remaining, 237.843750 MB of memory in use. ENERGY: 2317200 3961.7381 20547.5894 14430.0152 251.4454 -202620.8335 2329.7964 0.0000 0.0000 51783.7788 -109316.4702 297.6021 -161100.2490 -108963.5600 299.1802 -174.1360 -141.1440 762177.3477 -7.3827 -7.2879 PRESSURE: 2317400 261.987 169.483 -56.7328 169.483 -74.388 49.6572 -56.732 49.6581 -181.568 GPRESSURE: 2317400 254.677 89.0319 27.0544 299.56 -71.8652 -54.3299 -86.7661 69.888 -76.6087 PRESSAVG: 2317400 -3.47169 -0.281877 -46.9258 -0.281943 11.0953 44.1571 -46.9258 44.1571 10.5529 GPRESSAVG: 2317400 -3.66978 -2.19163 -46.7563 -0.16609 10.4806 43.948 -47.3088 42.3242 11.2224 TIMING: 2317400 CPU: 7319.96, 0.00325194/step Wall: 7319.96, 0.00325194/step, 2.42324 hours remaining, 237.843750 MB of memory in use. ENERGY: 2317400 3947.1936 20630.9087 14407.0076 236.3653 -203440.8357 2682.4271 0.0000 0.0000 52137.5169 -109399.4165 299.6350 -161536.9334 -109037.7235 299.8422 2.0102 35.4012 760422.6536 6.0588 6.0111 PRESSURE: 2317600 -122.207 -41.9868 14.5208 -41.9862 -363.195 -76.406 14.5214 -76.4055 180.358 GPRESSURE: 2317600 -132.441 5.4096 -40.2045 -7.00439 -265.382 -6.71251 -122.365 6.1042 171.004 PRESSAVG: 2317600 -2.15724 17.0324 -33.5275 17.0323 36.598 -38.7769 -33.5275 -38.7769 -6.98895 GPRESSAVG: 2317600 -1.99259 17.8972 -34.3193 19.0183 35.1301 -37.5548 -33.511 -39.7868 -5.54893 TIMING: 2317600 CPU: 7320.62, 0.0032859/step Wall: 7320.62, 0.0032859/step, 2.44836 hours remaining, 237.843750 MB of memory in use. ENERGY: 2317600 3993.4995 20541.8119 14468.4556 231.9456 -203332.7234 2636.7659 0.0000 0.0000 52139.5342 -109320.7106 299.6466 -161460.2448 -108956.0329 299.6864 -101.6815 -75.6063 763148.7356 9.1506 9.1962 PRESSURE: 2317800 61.3909 -168.4 124.146 -168.401 53.7603 -93.7616 124.147 -93.7608 -50.8447 GPRESSURE: 2317800 120.469 -145.417 97.3984 -34.1762 137.659 -99.1759 89.8701 -57.0415 -131.181 PRESSAVG: 2317800 -57.3174 -26.4119 -1.5092 -26.4119 32.5273 -35.9602 -1.50924 -35.9603 -2.23348 GPRESSAVG: 2317800 -57.695 -25.0122 -0.358429 -28.8243 33.5785 -35.6074 0.288867 -32.9163 -3.19955 TIMING: 2317800 CPU: 7321.27, 0.00325908/step Wall: 7321.27, 0.00325908/step, 2.4282 hours remaining, 237.843750 MB of memory in use. ENERGY: 2317800 4026.1068 20528.1898 14481.1926 251.2181 -203497.5984 2668.1328 0.0000 0.0000 52103.8064 -109438.9518 299.4413 -161542.7583 -109085.8451 299.3617 21.4355 42.3156 763150.8919 -9.0079 -9.1053 PRESSURE: 2318000 -208.355 -38.0347 -132.704 -38.0356 -222.814 -144.119 -132.704 -144.12 -588.092 GPRESSURE: 2318000 -159.415 184.061 -154.239 -59.9742 -235.533 -230.938 -205.486 -84.6638 -529.735 PRESSAVG: 2318000 -20.926 32.7879 -17.17 32.7878 40.4291 -11.3147 -17.1699 -11.3147 22.7825 GPRESSAVG: 2318000 -21.6046 33.6708 -18.0724 33.3736 40.0132 -11.9162 -17.8588 -12.6845 23.5063 TIMING: 2318000 CPU: 7321.93, 0.00326448/step Wall: 7321.93, 0.00326448/step, 2.43204 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2318000 4029.3020 20474.7132 14371.2252 246.4796 -202967.4890 2198.9551 0.0000 0.0000 52309.2550 -109337.5589 300.6220 -161646.8139 -108973.3102 299.9975 -339.7535 -308.2278 762332.6025 14.0952 13.9717 PRESSURE: 2318200 165.285 -224.747 245.148 -224.747 302.217 -51.2176 245.149 -51.2187 -36.4997 GPRESSURE: 2318200 228.228 -107.482 169.866 -245.866 246.803 -34.1766 143.893 -130.408 32.8984 PRESSAVG: 2318200 -29.8116 -18.647 -20.2539 -18.647 28.9496 -16.8857 -20.2539 -16.8857 -27.429 GPRESSAVG: 2318200 -28.7795 -20.2727 -20.1065 -16.0622 29.765 -16.3721 -21.2122 -17.3473 -28.6768 TIMING: 2318200 CPU: 7322.58, 0.00327834/step Wall: 7322.58, 0.00327834/step, 2.44218 hours remaining, 237.843750 MB of memory in use. ENERGY: 2318200 4033.3696 20555.0348 14472.7869 258.3247 -203377.8097 2765.3236 0.0000 0.0000 52125.6208 -109167.3493 299.5667 -161292.9701 -108801.5097 300.0323 143.6677 169.3097 762106.9310 -9.4303 -9.2304 PRESSURE: 2318400 -205.567 235.574 112.327 235.575 -138.995 55.4713 112.327 55.4707 94.725 GPRESSURE: 2318400 -136.301 145.302 103.563 185.287 -113.151 18.4589 2.20648 -22.6294 79.1498 PRESSAVG: 2318400 -14.8854 8.37753 26.8262 8.37759 -3.88748 11.0141 26.8261 11.0141 2.70243 GPRESSAVG: 2318400 -14.8918 6.06914 26.2761 6.96889 -4.81136 11.247 27.7152 10.5702 4.37938 TIMING: 2318400 CPU: 7323.23, 0.00324308/step Wall: 7323.23, 0.00324308/step, 2.41574 hours remaining, 237.843750 MB of memory in use. ENERGY: 2318400 3965.7807 20609.4514 14451.3178 234.7403 -203017.9956 2603.3704 0.0000 0.0000 52056.9478 -109096.3870 299.1720 -161153.3348 -108743.0494 300.1654 -83.2791 -56.7674 761149.1770 -5.3568 -5.1079 PRESSURE: 2318600 292.75 29.4407 -156.504 29.4412 17.0029 -272.271 -156.505 -272.271 19.1603 GPRESSURE: 2318600 256.062 -32.6499 -191.602 -5.04122 98.6197 -233.479 -133.304 -251.097 51.2329 PRESSAVG: 2318600 -20.848 -2.10417 -31.0619 -2.1041 17.9685 -42.4073 -31.0618 -42.4073 24.3306 GPRESSAVG: 2318600 -20.7256 -1.22798 -30.7768 -1.41345 18.068 -42.5004 -31.7247 -42.9557 24.0815 TIMING: 2318600 CPU: 7323.88, 0.00322992/step Wall: 7323.88, 0.00322992/step, 2.40575 hours remaining, 237.843750 MB of memory in use. ENERGY: 2318600 4023.5573 20531.8127 14524.6493 248.0758 -203156.9341 2587.9789 0.0000 0.0000 52123.9598 -109116.9003 299.5571 -161240.8601 -108768.0039 299.7697 109.6376 135.3050 763258.3980 7.1504 7.1413 PRESSURE: 2318800 -20.3092 -112.933 -143.58 -112.933 63.6016 -79.4147 -143.579 -79.4136 -571.63 GPRESSURE: 2318800 10.8199 -89.4451 -46.9521 -253.951 6.60154 -119.621 -232.044 -74.6374 -459.129 PRESSAVG: 2318800 -13.8107 -13.0849 -25.0707 -13.0849 21.4691 36.3422 -25.0708 36.3422 1.52432 GPRESSAVG: 2318800 -14.1336 -11.2504 -23.9299 -14.3989 22.416 37.9271 -22.4977 36.7233 0.948445 TIMING: 2318800 CPU: 7324.52, 0.00323023/step Wall: 7324.52, 0.00323023/step, 2.4058 hours remaining, 237.843750 MB of memory in use. ENERGY: 2318800 4033.2732 20503.1527 14477.9196 242.5529 -202939.1514 2361.2186 0.0000 0.0000 52172.2106 -109148.8238 299.8344 -161321.0344 -108788.4076 299.3811 -176.1124 -147.2360 762784.5200 3.0609 3.0769 PRESSURE: 2319000 -103.904 -232.902 -59.7849 -232.903 -372.998 62.2268 -59.7847 62.2271 -400.28 GPRESSURE: 2319000 -7.2923 -165.255 14.2835 -181.325 -354.056 18.2526 -96.8067 133.825 -417.236 PRESSAVG: 2319000 -2.89407 -24.1593 -10.3527 -24.1592 39.1005 24.4046 -10.3527 24.4045 16.3011 GPRESSAVG: 2319000 -3.16003 -27.2446 -11.6962 -24.4151 39.5655 20.9949 -12.1631 24.7921 15.8417 TIMING: 2319000 CPU: 7325.17, 0.00325335/step Wall: 7325.17, 0.00325335/step, 2.42284 hours remaining, 237.843750 MB of memory in use. ENERGY: 2319000 3978.2101 20535.2191 14500.2064 249.8519 -203258.7476 2542.4316 0.0000 0.0000 52156.9133 -109295.9153 299.7465 -161452.8285 -108937.1036 299.3471 -292.3939 -259.5281 762313.5455 17.5025 17.4157 PRESSURE: 2319200 1.9285 -69.9064 -38.8987 -69.9063 89.7924 459.793 -38.8995 459.793 -14.5593 GPRESSURE: 2319200 81.9052 90.1372 -43.7105 -59.0153 97.2438 376.332 -46.065 496.463 -16.2753 PRESSAVG: 2319200 -49.4568 -64.7206 -55.5398 -64.7206 11.1423 29.5756 -55.5397 29.5756 -15.5882 GPRESSAVG: 2319200 -48.8072 -60.9803 -54.945 -64.5558 9.82917 31.8909 -56.4773 30.3512 -14.2784 TIMING: 2319200 CPU: 7325.81, 0.00320916/step Wall: 7325.81, 0.00320916/step, 2.38975 hours remaining, 237.843750 MB of memory in use. ENERGY: 2319200 4013.6723 20424.0009 14487.8490 254.9338 -203350.8701 2758.4613 0.0000 0.0000 51949.2404 -109462.7124 298.5530 -161411.9528 -109097.0200 298.9217 25.7205 54.2912 763311.0780 -17.9676 -17.7522 PRESSURE: 2319400 110.564 351.574 -288.414 351.573 158.717 18.1016 -288.415 18.1014 462.918 GPRESSURE: 2319400 84.6497 261.628 -324.153 183.373 221.951 121.815 -208.71 -201.518 513.197 PRESSAVG: 2319400 56.853 -59.8319 -83.307 -59.8319 -21.541 6.1046 -83.3069 6.10462 10.5849 GPRESSAVG: 2319400 57.406 -64.8219 -83.3272 -58.6076 -21.8797 5.12534 -82.1058 4.81047 10.4348 TIMING: 2319400 CPU: 7326.46, 0.00321971/step Wall: 7326.46, 0.00321971/step, 2.39743 hours remaining, 237.843750 MB of memory in use. ENERGY: 2319400 3976.6356 20380.7030 14521.6198 255.5878 -203562.2439 2859.4054 0.0000 0.0000 52142.6167 -109425.6756 299.6643 -161568.2923 -109068.8021 299.1185 244.0663 273.2660 760790.9107 15.2990 15.3204 PRESSURE: 2319600 413.52 -187.51 9.15011 -187.51 -185.175 -160.57 9.14969 -160.57 190.921 GPRESSURE: 2319600 448.641 -300.036 -34.1837 -200.552 -67.9977 -109.672 6.10826 -204.28 125.173 PRESSAVG: 2319600 -4.51907 -2.86282 6.05096 -2.86282 -33.3324 -44.0156 6.051 -44.0157 -15.7408 GPRESSAVG: 2319600 -4.89375 -0.16596 7.68161 -4.89215 -32.0987 -44.6272 5.05491 -43.3747 -15.8803 TIMING: 2319600 CPU: 7327.11, 0.0032362/step Wall: 7327.11, 0.0032362/step, 2.40953 hours remaining, 237.843750 MB of memory in use. ENERGY: 2319600 4019.7518 20349.7484 14442.5499 243.2653 -203669.0631 2635.8581 0.0000 0.0000 52454.2435 -109523.6460 301.4553 -161977.8895 -109166.8666 298.8457 139.7552 168.6057 761967.6663 -17.8641 -17.6242 PRESSURE: 2319800 -114.632 -115.633 -47.7446 -115.633 82.4065 73.8381 -47.744 73.8372 -75.3971 GPRESSURE: 2319800 -124.464 -8.84702 -45.6837 -38.4958 137.763 93.3091 -71.6171 72.6461 -54.1247 PRESSAVG: 2319800 11.1659 -17.9167 18.4843 -17.9167 -9.5678 -37.7218 18.4843 -37.7218 5.9469 GPRESSAVG: 2319800 11.3664 -18.4161 17.1746 -16.0212 -10.8283 -37.8356 18.9065 -36.4757 6.87909 TIMING: 2319800 CPU: 7327.75, 0.00321695/step Wall: 7327.75, 0.00321695/step, 2.39502 hours remaining, 237.843750 MB of memory in use. ENERGY: 2319800 3955.1114 20357.5063 14374.1211 247.3542 -203229.8519 2494.3740 0.0000 0.0000 51969.1825 -109832.2024 298.6676 -161801.3849 -109465.9235 298.6985 -35.8743 -13.6087 762533.8957 2.5150 2.4724 PRESSURE: 2320000 -0.185657 104.031 85.1768 104.031 -468.329 -70.5485 85.1772 -70.549 -210.023 GPRESSURE: 2320000 -87.8336 175.886 14.5028 88.282 -364.106 -147.862 55.2682 -22.1569 -138.681 PRESSAVG: 2320000 -3.95436 5.5161 -25.0218 5.51613 -8.02463 -51.508 -25.0218 -51.508 -13.4973 GPRESSAVG: 2320000 -4.28784 6.44164 -25.2906 3.74702 -7.89563 -50.8949 -24.4539 -53.0614 -13.6785 TIMING: 2320000 CPU: 7328.39, 0.00320856/step Wall: 7328.39, 0.00320856/step, 2.38859 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2320000 4055.6082 20360.2832 14381.4627 248.6296 -203421.7899 2613.9982 0.0000 0.0000 52054.6972 -109707.1109 299.1591 -161761.8081 -109345.6960 298.6692 -226.1790 -196.8736 761807.0550 -8.4921 -8.6207 PRESSURE: 2320200 -223.497 -95.6718 109.28 -95.6724 11.7618 -6.62865 109.28 -6.62894 -109.376 GPRESSURE: 2320200 -137.374 -119.227 176.643 -114.814 121.406 63.5574 -26.4736 -71.6827 -183.111 PRESSAVG: 2320200 1.30082 16.7187 37.0081 16.7186 -30.1571 -31.1828 37.0082 -31.1827 -19.4156 GPRESSAVG: 2320200 1.08348 15.8283 37.6674 18.3371 -29.3613 -30.7231 37.7315 -30.9222 -19.9733 TIMING: 2320200 CPU: 7329.03, 0.00319979/step Wall: 7329.03, 0.00319979/step, 2.38189 hours remaining, 237.843750 MB of memory in use. ENERGY: 2320200 3908.8158 20438.9614 14525.7767 247.1790 -203275.9448 2485.8300 0.0000 0.0000 51888.1345 -109781.2475 298.2018 -161669.3820 -109424.3445 298.4987 -107.0370 -66.3599 762369.8808 -16.0907 -16.0837 LDB: ============= START OF LOAD BALANCING ============== 7341.43 LDB: ============== END OF LOAD BALANCING =============== 7341.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7341.44 LDB: ============= START OF LOAD BALANCING ============== 7341.76 LDB: Largest compute 7033 load 0.033861 is 17.3% of average load 0.195951 LDB: Average compute 0.004389 is 2.2% of average load 0.195951 LDB: TIME 7341.76 LOAD: AVG 0.195951 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7341.76 LOAD: AVG 0.195951 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7341.76 LOAD: AVG 0.195951 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7341.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7341.77 PRESSURE: 2320400 3.1572 -14.5804 155.949 -14.5806 -149.423 -23.5366 155.949 -23.5372 -44.0155 GPRESSURE: 2320400 24.9649 22.3215 98.1432 -86.8166 -130.666 -70.2985 139.494 65.8949 -10.3303 PRESSAVG: 2320400 6.74473 -32.0289 61.8193 -32.0289 -1.15892 -5.49094 61.8193 -5.49095 2.34079 GPRESSAVG: 2320400 6.02279 -32.8446 60.658 -32.6791 -0.955373 -5.27633 62.4428 -5.68981 2.73719 TIMING: 2320400 CPU: 7329.69, 0.00327736/step Wall: 7329.69, 0.00327736/step, 2.43945 hours remaining, 239.765625 MB of memory in use. ENERGY: 2320400 3937.0852 20351.1537 14502.3440 250.0876 -203109.8595 2381.9420 0.0000 0.0000 51938.0391 -109749.2078 298.4886 -161687.2469 -109376.1841 298.3897 -63.4271 -38.6772 761340.1507 2.6422 2.6015 PRESSURE: 2320600 -344.682 50.4541 -109.415 50.4533 -167.145 -72.0846 -109.414 -72.0839 33.0422 GPRESSURE: 2320600 -347.373 3.67195 -53.284 22.2582 -111.49 -31.0526 -158.956 21.6405 33.8984 PRESSAVG: 2320600 -44.8136 -6.24333 5.93971 -6.2433 9.54134 -5.52181 5.93974 -5.52171 0.781728 GPRESSAVG: 2320600 -45.031 -6.00369 6.82719 -6.74386 9.91096 -5.39709 3.30516 -6.28388 0.526736 TIMING: 2320600 CPU: 7330.33, 0.00321302/step Wall: 7330.33, 0.00321302/step, 2.39138 hours remaining, 239.968750 MB of memory in use. ENERGY: 2320600 3954.0180 20423.6452 14428.6042 253.1449 -203491.3119 2477.8493 0.0000 0.0000 52203.9529 -109750.0973 300.0168 -161954.0502 -109392.4584 298.5230 -159.5950 -141.6549 761736.9406 -11.4968 -11.5311 PRESSURE: 2320800 193.904 42.1746 -15.5758 42.175 -113.167 -5.32368 -15.5756 -5.32485 376.358 GPRESSURE: 2320800 243.84 -17.5512 -26.5578 78.6318 -109.972 89.5405 84.8984 23.5845 407.677 PRESSAVG: 2320800 -43.3202 -6.083 -4.38565 -6.08299 76.2438 -28.486 -4.38559 -28.486 -6.71499 GPRESSAVG: 2320800 -42.352 -6.39146 -5.84899 -5.03554 76.265 -28.7044 -3.32148 -28.3487 -7.2161 TIMING: 2320800 CPU: 7330.96, 0.00317383/step Wall: 7330.96, 0.00317383/step, 2.36203 hours remaining, 239.968750 MB of memory in use. ENERGY: 2320800 3945.1686 20485.3809 14499.1882 239.7886 -203299.2133 2674.1055 0.0000 0.0000 51880.0072 -109575.5743 298.1551 -161455.5815 -109229.7795 298.9740 152.3654 180.5148 762824.2592 8.7362 8.8990 PRESSURE: 2321000 52.7904 -115.512 -11.1745 -115.512 -74.5994 -181.664 -11.1742 -181.663 449.579 GPRESSURE: 2321000 146.43 -139.975 -21.0022 -77.9999 -48.1106 -188.863 -30.3408 -7.90866 427.739 PRESSAVG: 2321000 -34.6586 -30.9418 -40.5074 -30.9418 24.8212 -64.5633 -40.5074 -64.5633 24.5115 GPRESSAVG: 2321000 -34.6613 -31.1823 -39.2591 -29.9416 25.8675 -64.5153 -38.5816 -62.6685 24.0099 TIMING: 2321000 CPU: 7331.6, 0.00318628/step Wall: 7331.6, 0.00318628/step, 2.37112 hours remaining, 239.968750 MB of memory in use. ENERGY: 2321000 3977.4082 20597.0733 14502.2015 237.8372 -203537.0102 2837.2384 0.0000 0.0000 51885.6541 -109499.5976 298.1876 -161385.2517 -109135.6053 298.8414 142.5901 175.3528 760580.9311 4.8914 5.0720 PRESSURE: 2321200 -86.4362 -159.479 137.025 -159.479 -332.409 -34.5653 137.025 -34.5652 55.2922 GPRESSURE: 2321200 -30.4254 -24.1473 90.8646 -20.6863 -307.549 -1.30642 110.477 -235.701 72.8859 PRESSAVG: 2321200 23.4693 -19.4434 3.20375 -19.4433 -17.0211 20.9144 3.20378 20.9144 -7.91 GPRESSAVG: 2321200 24.9395 -19.5891 4.49854 -20.821 -19.5222 21.8287 -1.55553 19.1398 -6.36695 TIMING: 2321200 CPU: 7332.24, 0.00318207/step Wall: 7332.24, 0.00318207/step, 2.36781 hours remaining, 239.968750 MB of memory in use. ENERGY: 2321200 3987.5337 20529.7442 14491.2254 256.4067 -203170.8914 2371.1715 0.0000 0.0000 51819.3055 -109715.5044 297.8063 -161534.8099 -109359.5599 298.9149 -121.1842 -88.3629 762986.7622 -0.4873 -0.3166 PRESSURE: 2321400 14.6627 -93.4604 -142.29 -93.4605 -30.5799 -40.2939 -142.291 -40.2928 192.134 GPRESSURE: 2321400 10.9171 -89.8175 -158.926 -37.7311 -0.477212 -49.65 -107.454 4.49481 249.211 PRESSAVG: 2321400 -14.4034 31.9732 14.0979 31.9732 5.41226 -28.7621 14.0979 -28.7621 11.1516 GPRESSAVG: 2321400 -15.7276 31.7611 13.8751 32.5521 6.22969 -30.491 16.2704 -29.163 11.4841 TIMING: 2321400 CPU: 7332.87, 0.00317522/step Wall: 7332.87, 0.00317522/step, 2.36254 hours remaining, 239.968750 MB of memory in use. ENERGY: 2321400 4006.1617 20391.1391 14438.5849 251.2351 -202957.8063 2480.9650 0.0000 0.0000 51853.2863 -109536.4341 298.0015 -161389.7204 -109186.4801 298.7776 58.7391 86.5502 762355.9488 0.7201 0.6621 PRESSURE: 2321600 -71.6764 -88.1942 -104.103 -88.1938 -173.731 -14.58 -104.104 -14.5793 -369.631 GPRESSURE: 2321600 -19.3024 -36.7472 -85.7479 -60.6229 -93.1493 -31.0699 47.2535 47.8465 -422.941 PRESSAVG: 2321600 -10.4902 -49.0069 26.9585 -49.0069 -17.1803 -40.5406 26.9585 -40.5405 24.0762 GPRESSAVG: 2321600 -9.62259 -47.6618 24.9756 -49.212 -17.4114 -39.165 29.7292 -41.981 23.563 TIMING: 2321600 CPU: 7333.51, 0.00318153/step Wall: 7333.51, 0.00318153/step, 2.36706 hours remaining, 239.968750 MB of memory in use. ENERGY: 2321600 4041.0932 20544.7745 14414.4716 244.7211 -203682.6435 2734.0356 0.0000 0.0000 51932.3752 -109771.1722 298.4561 -161703.5474 -109414.2027 298.6558 -205.0130 -178.4642 762428.5154 -1.1981 -1.1570 PRESSURE: 2321800 39.0497 -80.0963 -90.1099 -80.0959 150.531 -4.09897 -90.1095 -4.09983 217.021 GPRESSURE: 2321800 -0.630761 -127.067 -145.809 -173.646 227.239 56.2688 87.6992 -131.586 268.115 PRESSAVG: 2321800 -34.4774 23.6944 24.3938 23.6945 41.1576 -24.7235 24.3938 -24.7235 -2.23099 GPRESSAVG: 2321800 -34.4322 26.1312 24.8612 23.5061 41.6328 -23.7924 22.6267 -24.3386 -3.11207 TIMING: 2321800 CPU: 7334.15, 0.00318786/step Wall: 7334.15, 0.00318786/step, 2.37159 hours remaining, 239.968750 MB of memory in use. ENERGY: 2321800 4062.8340 20298.7211 14372.8545 253.1458 -203537.2298 2639.7949 0.0000 0.0000 52087.7669 -109822.1125 299.3491 -161909.8794 -109459.2813 299.0349 135.5337 164.9079 758635.2665 1.4831 1.3628 PRESSURE: 2322000 -245.507 -117.523 -126.339 -117.523 236.186 -23.7322 -126.338 -23.7323 31.9222 GPRESSURE: 2322000 -185.203 -123.922 -92.0456 -118.356 199.101 -51.0141 -82.0549 4.73499 85.2275 PRESSAVG: 2322000 33.3003 -20.2402 -13.2175 -20.2402 -27.7326 13.3075 -13.2176 13.3075 17.2613 GPRESSAVG: 2322000 31.9216 -23.079 -12.9063 -20.0195 -27.3634 11.4499 -12.1166 13.3482 18.429 TIMING: 2322000 CPU: 7334.79, 0.00323303/step Wall: 7334.79, 0.00323303/step, 2.40502 hours remaining, 239.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2322000 4024.6075 20470.5089 14412.2474 242.0500 -203323.6213 2414.6225 0.0000 0.0000 51933.3976 -109826.1873 298.4620 -161759.5849 -109473.3528 298.4461 7.5335 33.0421 760931.4520 7.6097 7.6624 PRESSURE: 2322200 -612.209 -111.575 -145.443 -111.574 -161.176 -29.6251 -145.443 -29.6247 -196.214 GPRESSURE: 2322200 -492.523 -117.396 -178.055 -72.6914 -133.907 -11.3197 -95.0901 71.9229 -269.35 PRESSAVG: 2322200 -18.2768 -25.9642 22.5096 -25.9642 18.3491 16.553 22.5096 16.553 -4.55945 GPRESSAVG: 2322200 -17.354 -25.8527 21.4135 -26.0125 17.3008 15.3615 22.8905 17.4402 -4.69348 TIMING: 2322200 CPU: 7335.44, 0.00323174/step Wall: 7335.44, 0.00323174/step, 2.40387 hours remaining, 239.968750 MB of memory in use. ENERGY: 2322200 3964.2298 20513.4915 14393.8626 248.0060 -203775.4309 2708.3139 0.0000 0.0000 51998.3387 -109949.1883 298.8352 -161947.5270 -109583.5269 299.0592 -323.1997 -298.5931 760278.6606 -1.4957 -1.5822 PRESSURE: 2322400 78.9324 -147.986 -114.145 -147.985 -103.117 -14.3956 -114.146 -14.3959 -59.2598 GPRESSURE: 2322400 130.899 -115.544 -106.88 -226.135 -39.4194 -67.8047 -186.97 48.0587 -87.2083 PRESSAVG: 2322400 2.34923 43.1235 -18.1028 43.1235 -4.13358 28.7968 -18.1028 28.7969 -5.33247 GPRESSAVG: 2322400 1.84388 44.5005 -16.0131 41.0171 -3.03151 30.35 -21.4216 26.9856 -4.84393 TIMING: 2322400 CPU: 7336.08, 0.00320755/step Wall: 7336.08, 0.00320755/step, 2.38571 hours remaining, 239.968750 MB of memory in use. ENERGY: 2322400 4056.5330 20705.8814 14427.0668 266.0496 -203280.1408 2403.3772 0.0000 0.0000 51551.3434 -109869.8894 296.2663 -161421.2328 -109521.1038 298.6804 -27.8148 1.4239 761037.1327 -2.3723 -2.0105 PRESSURE: 2322600 -24.8859 224.897 -135.353 224.897 -9.17883 -4.31598 -135.354 -4.31543 -95.4984 GPRESSURE: 2322600 57.2248 221.989 -132.04 242.258 6.27318 123.109 -103.762 -26.5521 -84.2271 PRESSAVG: 2322600 3.56566 40.2524 -75.1216 40.2523 -39.2384 5.74151 -75.1216 5.74162 6.3792 GPRESSAVG: 2322600 4.29232 39.8978 -74.9575 41.5671 -40.1504 5.64139 -72.8781 7.73726 7.27525 TIMING: 2322600 CPU: 7336.73, 0.00322151/step Wall: 7336.73, 0.00322151/step, 2.39591 hours remaining, 239.968750 MB of memory in use. ENERGY: 2322600 3926.5579 20675.7791 14470.0540 238.2326 -203781.2455 2678.7354 0.0000 0.0000 52018.8472 -109773.0392 298.9530 -161791.8864 -109417.5733 298.6911 -43.1877 -6.9097 760597.2451 -9.7645 -9.5276 PRESSURE: 2322800 37.3474 83.6508 -166.54 83.6508 -175.331 154.113 -166.54 154.112 -206.651 GPRESSURE: 2322800 -9.53986 110.897 -207.519 130.534 -117.609 162.556 -146.667 166.798 -127.774 PRESSAVG: 2322800 11.8799 62.9629 -34.5826 62.963 -50.6702 25.025 -34.5825 25.0249 -7.77849 GPRESSAVG: 2322800 11.114 60.7515 -35.5149 64.2873 -50.1913 24.4649 -35.5065 25.4359 -7.55449 TIMING: 2322800 CPU: 7337.37, 0.00320048/step Wall: 7337.37, 0.00320048/step, 2.38009 hours remaining, 239.968750 MB of memory in use. ENERGY: 2322800 3914.1668 20380.1701 14522.1209 234.0823 -203262.6457 2283.0787 0.0000 0.0000 52138.6123 -109790.4146 299.6413 -161929.0268 -109425.2227 298.6650 -114.8784 -84.9744 760825.9032 -15.5230 -15.5439 PRESSURE: 2323000 310.227 -178.16 -146.58 -178.16 324.604 98.8273 -146.58 98.8269 494.14 GPRESSURE: 2323000 351.257 -192.045 -167.831 -186.893 372.439 123.574 -45.9153 150.931 489.865 PRESSAVG: 2323000 -4.78013 -33.3375 22.9535 -33.3375 -8.02914 63.648 22.9535 63.648 12.742 GPRESSAVG: 2323000 -3.5366 -29.9286 21.4636 -34.1737 -8.6623 65.6878 24.0253 61.8986 12.322 TIMING: 2323000 CPU: 7338.01, 0.0032194/step Wall: 7338.01, 0.0032194/step, 2.39398 hours remaining, 239.968750 MB of memory in use. ENERGY: 2323000 3940.8384 20505.0445 14437.8962 250.4247 -203913.3826 3105.8129 0.0000 0.0000 51994.3994 -109678.9664 298.8125 -161673.3658 -109311.2921 298.8667 376.3237 404.5206 759564.2487 -0.0224 0.0410 PRESSURE: 2323200 -216.046 138.096 -164.705 138.097 -107.304 91.1506 -164.705 91.1506 -299.114 GPRESSURE: 2323200 -201.893 11.1891 -286.854 35.9321 -67.3541 116.09 -174.797 -36.8175 -273.712 PRESSAVG: 2323200 54.0742 9.81036 -43.9783 9.81037 -41.0182 25.4648 -43.9783 25.4648 5.40424 GPRESSAVG: 2323200 54.6371 9.63533 -42.4925 7.52299 -39.9263 23.8777 -44.9468 26.8219 3.77808 TIMING: 2323200 CPU: 7338.65, 0.00319079/step Wall: 7338.65, 0.00319079/step, 2.37253 hours remaining, 239.968750 MB of memory in use. ENERGY: 2323200 3960.9369 20305.7918 14475.5776 260.6762 -203551.0740 2614.4138 0.0000 0.0000 52210.5220 -109723.1557 300.0546 -161933.6777 -109351.3909 299.4286 -207.4880 -180.9862 760107.2643 6.1534 6.1629 PRESSURE: 2323400 -108.732 -50.1641 -262.411 -50.1642 -39.647 181.104 -262.411 181.103 -61.7598 GPRESSURE: 2323400 -96.8321 81.009 -212.664 -69.9318 1.91393 148.755 -149.111 124.804 -34.701 PRESSAVG: 2323400 13.6889 25.9126 -15.4598 25.9126 25.5015 0.849339 -15.4598 0.849258 -8.30933 GPRESSAVG: 2323400 13.2661 25.2634 -17.1643 29.343 23.9863 1.02139 -12.8003 -0.95155 -6.10114 TIMING: 2323400 CPU: 7339.29, 0.00321/step Wall: 7339.29, 0.00321/step, 2.38664 hours remaining, 239.968750 MB of memory in use. ENERGY: 2323400 4033.0769 20479.0701 14438.9373 249.9430 -203181.2503 2326.6224 0.0000 0.0000 52177.9815 -109475.6191 299.8676 -161653.6007 -109114.6466 299.4516 -70.0462 -43.2064 760638.0548 10.2937 10.3838 PRESSURE: 2323600 -272.408 219.094 140.92 219.094 -126.146 -215.923 140.92 -215.922 -28.2542 GPRESSURE: 2323600 -231.682 92.5397 143.496 257.305 -142.031 -256.588 7.1422 -276.994 25.5237 PRESSAVG: 2323600 -12.8309 25.5212 9.55763 25.5212 28.5451 -50.5031 9.55772 -50.5032 5.55845 GPRESSAVG: 2323600 -13.3495 25.0026 10.7094 25.5695 30.5213 -50.4408 8.79075 -49.957 4.01584 TIMING: 2323600 CPU: 7339.94, 0.00326058/step Wall: 7339.94, 0.00326058/step, 2.42406 hours remaining, 239.968750 MB of memory in use. ENERGY: 2323600 4064.8572 20599.2868 14455.3265 243.7593 -203575.5165 2629.5202 0.0000 0.0000 52118.2504 -109464.5162 299.5243 -161582.7666 -109105.7217 299.9088 -142.2694 -116.0631 760413.2861 7.0909 7.0626 PRESSURE: 2323800 -422.266 -72.8304 -14.9187 -72.8297 160.937 9.24298 -14.9183 9.24401 -267.873 GPRESSURE: 2323800 -385.47 -31.5157 -64.9255 -29.5885 175.892 -54.4803 15.5383 -152.397 -244.123 PRESSAVG: 2323800 -12.8397 19.0459 -45.883 19.0459 -1.70798 -42.1448 -45.8829 -42.1447 -5.52868 GPRESSAVG: 2323800 -12.6175 18.8121 -45.6915 18.0178 -1.66688 -43.996 -46.7427 -41.6253 -5.93725 TIMING: 2323800 CPU: 7340.58, 0.00321667/step Wall: 7340.58, 0.00321667/step, 2.39124 hours remaining, 239.968750 MB of memory in use. ENERGY: 2323800 4110.0431 20612.8844 14471.6030 244.6566 -203290.8541 2414.6398 0.0000 0.0000 52186.9553 -109250.0719 299.9191 -161437.0272 -108900.9607 299.8223 -176.4008 -151.2338 758854.7786 -6.6921 -6.7405 PRESSURE: 2324000 -85.492 106.914 -165.633 106.914 195.983 -122.852 -165.633 -122.851 -421.391 GPRESSURE: 2324000 -40.1449 63.4224 -172.357 154.045 219.093 -191.063 -48.1801 -126.772 -414.948 PRESSAVG: 2324000 -44.8282 11.8991 -39.975 11.8991 45.1548 4.98017 -39.975 4.98018 7.6936 GPRESSAVG: 2324000 -44.1674 12.4128 -39.9466 12.19 44.2899 5.13983 -40.289 6.11726 7.60413 TIMING: 2324000 CPU: 7341.24, 0.00327262/step Wall: 7341.24, 0.00327262/step, 2.43264 hours remaining, 239.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2324000 4045.7361 20406.1177 14412.8449 238.3100 -203312.0396 2577.8680 0.0000 0.0000 52241.5997 -109389.5633 300.2332 -161631.1630 -109020.8703 299.5763 -103.6333 -78.6665 759959.4332 2.6734 2.5756 PRESSURE: 2324200 133.098 -42.6953 53.9784 -42.6944 -384.914 -63.4861 53.9785 -63.4871 -117.679 GPRESSURE: 2324200 111.567 -84.1783 15.0182 1.85662 -294.77 -73.3697 8.73617 -139.191 -90.3174 PRESSAVG: 2324200 35.9213 29.7393 -14.93 29.7393 -28.3958 26.668 -14.9301 26.668 9.59954 GPRESSAVG: 2324200 35.5608 27.8384 -15.7219 31.5747 -28.2614 28.0485 -14.6858 25.9685 9.6827 TIMING: 2324200 CPU: 7341.89, 0.00323113/step Wall: 7341.89, 0.00323113/step, 2.40163 hours remaining, 239.968750 MB of memory in use. ENERGY: 2324200 4030.4233 20414.9237 14423.7819 256.1096 -203307.7599 2603.5431 0.0000 0.0000 52146.1827 -109432.7956 299.6848 -161578.9782 -109068.3046 299.6569 -123.1650 -91.1736 761389.9073 5.7084 5.6607 LDB: ============= START OF LOAD BALANCING ============== 7354.29 LDB: ============== END OF LOAD BALANCING =============== 7354.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7354.3 LDB: ============= START OF LOAD BALANCING ============== 7354.62 LDB: Largest compute 7033 load 0.037922 is 19.4% of average load 0.195877 LDB: Average compute 0.004395 is 2.2% of average load 0.195877 LDB: TIME 7354.63 LOAD: AVG 0.195877 MAX 0.217383 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 7354.63 LOAD: AVG 0.195877 MAX 0.217383 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: TIME 7354.63 LOAD: AVG 0.195877 MAX 0.217383 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: ============== END OF LOAD BALANCING =============== 7354.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7354.63 PRESSURE: 2324400 2.53747 -36.5622 -141.717 -36.5615 168.524 182.198 -141.716 182.197 -224.356 GPRESSURE: 2324400 40.8504 -41.6143 -169.91 3.73527 115.511 108.207 -200.555 89.0127 -122.38 PRESSAVG: 2324400 46.3651 31.1235 -29.2019 31.1235 -41.5149 -23.0278 -29.2019 -23.0278 8.0292 GPRESSAVG: 2324400 45.7051 32.3645 -29.4608 29.0199 -41.1557 -24.2992 -28.0167 -22.5992 8.1005 TIMING: 2324400 CPU: 7342.55, 0.00332524/step Wall: 7342.55, 0.00332524/step, 2.47139 hours remaining, 239.242188 MB of memory in use. ENERGY: 2324400 3959.6895 20423.4770 14429.7527 243.5054 -203430.7646 2650.3528 0.0000 0.0000 52142.1424 -109581.8448 299.6616 -161723.9872 -109219.7151 299.8868 -17.7649 11.3273 760444.4133 4.2931 4.2166 PRESSURE: 2324600 0.825937 -59.0004 -43.1479 -59.0011 -176.684 27.1118 -43.1464 27.1109 251.418 GPRESSURE: 2324600 -11.6371 97.5857 -104.108 4.64103 -87.538 31.0896 -50.4686 109.451 243.309 PRESSAVG: 2324600 -11.2898 -2.7182 -77.69 -2.71824 51.7481 42.0956 -77.69 42.0956 -8.94459 GPRESSAVG: 2324600 -10.2765 -1.42625 -78.025 -1.62705 50.1777 43.4818 -78.8954 40.2731 -8.03973 TIMING: 2324600 CPU: 7343.21, 0.00328591/step Wall: 7343.21, 0.00328591/step, 2.44198 hours remaining, 239.445312 MB of memory in use. ENERGY: 2324600 3951.0304 20247.0970 14398.1167 258.8426 -203055.8452 2594.4735 0.0000 0.0000 52012.1777 -109594.1073 298.9147 -161606.2850 -109226.7036 298.9571 25.1867 48.0447 761896.4352 10.5046 10.6205 PRESSURE: 2324800 -187.715 131.525 81.9585 131.525 306.227 -114.063 81.9595 -114.062 -382.964 GPRESSURE: 2324800 -182.291 79.544 122.549 129.986 308.731 -200.29 114.851 -117.582 -292.142 PRESSAVG: 2324800 -55.9219 1.04125 -12.8764 1.04124 54.4026 -32.105 -12.8764 -32.1051 -2.86023 GPRESSAVG: 2324800 -55.6145 -0.919688 -10.5954 2.08442 54.727 -32.8949 -10.9087 -29.0207 -3.26578 TIMING: 2324800 CPU: 7343.85, 0.00323489/step Wall: 7343.85, 0.00323489/step, 2.40388 hours remaining, 239.445312 MB of memory in use. ENERGY: 2324800 3965.7793 20426.5404 14381.6177 250.7282 -203055.2109 2276.9592 0.0000 0.0000 52157.3460 -109596.2400 299.7490 -161753.5860 -109236.7669 298.8648 -88.1507 -55.2340 761118.4143 -1.4598 -1.3844 PRESSURE: 2325000 -166.925 173.486 -11.909 173.487 -48.0106 133.48 -11.9092 133.48 -249.592 GPRESSURE: 2325000 -155.463 242.821 -49.2021 211.78 -20.1267 73.2873 -99.8177 148.198 -217.215 PRESSAVG: 2325000 -38.2931 66.8105 -37.0405 66.8104 46.4284 7.57625 -37.0405 7.5763 -4.61306 GPRESSAVG: 2325000 -39.6215 67.8075 -39.9886 67.0317 48.5294 7.42339 -37.1963 6.51293 -4.97261 TIMING: 2325000 CPU: 7344.5, 0.00322381/step Wall: 7344.5, 0.00322381/step, 2.39547 hours remaining, 239.445312 MB of memory in use. ENERGY: 2325000 3987.4933 20545.1519 14483.8100 238.6147 -202627.1960 2120.3692 0.0000 0.0000 51715.9506 -109535.8062 297.2123 -161251.7568 -109178.8258 298.6474 -154.8426 -130.9350 760181.5130 1.1741 1.3118 PRESSURE: 2325200 -167.295 266.536 -142.516 266.536 301.233 -101.29 -142.516 -101.289 -31.5771 GPRESSURE: 2325200 -129.764 233.741 -147.732 200.13 351.573 -58.7942 -155.513 -132.276 -38.1039 PRESSAVG: 2325200 -13.405 39.3846 -36.7618 39.3846 6.88786 -43.6756 -36.7619 -43.6755 11.707 GPRESSAVG: 2325200 -11.4417 41.0111 -35.5042 37.6625 5.85302 -42.9603 -38.6555 -41.5391 11.2593 TIMING: 2325200 CPU: 7345.15, 0.00322867/step Wall: 7345.15, 0.00322867/step, 2.3989 hours remaining, 239.445312 MB of memory in use. ENERGY: 2325200 3995.2676 20451.0829 14492.9056 234.7497 -203236.3635 2630.6154 0.0000 0.0000 52054.0991 -109377.6432 299.1556 -161431.7423 -109018.4333 299.0271 34.1203 61.2350 759519.4776 1.7299 1.8902 PRESSURE: 2325400 419.121 195.26 -92.8363 195.26 155.692 -56.2793 -92.836 -56.2803 534.062 GPRESSURE: 2325400 445.469 182.904 -83.8856 190.358 192.227 -67.3401 -163.03 -72.3859 558.202 PRESSAVG: 2325400 24.1574 64.7976 -58.3396 64.7976 9.71989 20.209 -58.3397 20.209 -5.73107 GPRESSAVG: 2325400 22.3709 62.4068 -57.9647 64.5431 10.7326 18.9155 -57.2068 18.4831 -5.17454 TIMING: 2325400 CPU: 7345.79, 0.00322342/step Wall: 7345.79, 0.00322342/step, 2.39482 hours remaining, 239.445312 MB of memory in use. ENERGY: 2325400 3905.2041 20380.6882 14496.3019 260.3040 -203291.2183 2731.7739 0.0000 0.0000 52221.5881 -109295.3579 300.1182 -161516.9461 -108924.7412 299.6254 369.6249 398.6324 759674.7799 9.3821 9.3096 PRESSURE: 2325600 -96.6581 -26.7049 79.9494 -26.7045 88.2835 15.0947 79.9493 15.0942 44.3754 GPRESSURE: 2325600 -5.70379 -12.0425 79.7151 39.7593 71.4305 96.9042 118.56 7.77347 54.7124 PRESSAVG: 2325600 -65.9505 -27.9916 9.87855 -27.9916 18.7428 57.9749 9.8786 57.9748 25.6325 GPRESSAVG: 2325600 -65.0537 -28.2896 9.06349 -28.8638 17.2698 60.6877 11.3994 58.0259 26.3919 TIMING: 2325600 CPU: 7346.44, 0.00323113/step Wall: 7346.44, 0.00323113/step, 2.40037 hours remaining, 239.445312 MB of memory in use. ENERGY: 2325600 4014.2153 20387.2520 14425.7574 249.4633 -203270.1834 2632.4261 0.0000 0.0000 52103.3014 -109457.7679 299.4384 -161561.0692 -109093.5351 299.6103 12.0003 40.1464 761134.2200 -7.1917 -7.1307 PRESSURE: 2325800 -223.85 -132.042 -42.3009 -132.042 206.834 -53.8007 -42.3009 -53.8003 -166.645 GPRESSURE: 2325800 -86.9816 -117.597 -65.2852 -101.259 167.023 -73.0111 -64.5629 31.6119 -195.985 PRESSAVG: 2325800 6.07194 13.3565 -30.3489 13.3565 18.8559 61.5189 -30.3489 61.5189 -4.4194 GPRESSAVG: 2325800 6.70009 11.0824 -29.342 15.2586 19.0279 60.9319 -32.0815 63.7508 -5.66046 TIMING: 2325800 CPU: 7347.08, 0.00322019/step Wall: 7347.08, 0.00322019/step, 2.39206 hours remaining, 239.445312 MB of memory in use. ENERGY: 2325800 3941.8756 20516.7802 14531.0302 249.6892 -203204.3870 2451.3459 0.0000 0.0000 52096.4689 -109417.1970 299.3991 -161513.6658 -109053.5021 298.7305 -61.2201 -38.6479 760870.9181 6.8362 6.6892 PRESSURE: 2326000 -76.8668 -38.1337 108.514 -38.1334 -14.3148 228.165 108.514 228.167 -587.24 GPRESSURE: 2326000 -75.9342 23.3484 36.3173 -92.3848 66.3887 249.155 273.612 116.203 -593.511 PRESSAVG: 2326000 -30.5383 -18.2956 -17.6979 -18.2957 51.5275 60.5347 -17.6979 60.5348 -15.3233 GPRESSAVG: 2326000 -30.953 -15.772 -16.8405 -20.6704 51.4033 60.0997 -19.2307 57.5265 -14.5546 TIMING: 2326000 CPU: 7347.72, 0.00322354/step Wall: 7347.72, 0.00322354/step, 2.39438 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2326000 4077.0534 20512.8559 14477.2720 234.5893 -202963.8585 2334.8886 0.0000 0.0000 52253.7424 -109073.4569 300.3030 -161327.1993 -108705.3277 299.7858 -226.1407 -201.0188 761470.0097 1.8886 1.9652 PRESSURE: 2326200 -36.3541 -64.9336 48.8194 -64.9339 152.086 72.0696 48.8196 72.0696 281.119 GPRESSURE: 2326200 50.8067 -138.21 15.7346 -122.471 80.1742 56.0972 -24.5964 123.409 359.05 PRESSAVG: 2326200 7.18739 -16.5952 -29.1253 -16.5951 -8.19742 43.0139 -29.1253 43.0139 40.0733 GPRESSAVG: 2326200 5.83839 -19.5021 -29.6164 -12.9257 -7.44063 42.9502 -26.1934 43.128 40.4237 TIMING: 2326200 CPU: 7348.37, 0.003205/step Wall: 7348.37, 0.003205/step, 2.38042 hours remaining, 239.445312 MB of memory in use. ENERGY: 2326200 4025.0535 20474.3000 14401.9764 261.4169 -202768.6201 2116.5519 0.0000 0.0000 52228.7264 -109260.5951 300.1592 -161489.3214 -108896.3273 300.1421 132.2839 163.3436 760396.3107 13.0211 12.9405 PRESSURE: 2326400 -61.5663 -173.346 151.641 -173.346 130.427 -296.114 151.642 -296.114 -191.781 GPRESSURE: 2326400 -38.2138 -139.618 128.378 -112.222 217.236 -257.333 84.3833 -246.151 -197.097 PRESSAVG: 2326400 4.9104 46.8778 7.55412 46.8778 -2.45796 4.25225 7.55413 4.25219 12.3152 GPRESSAVG: 2326400 5.64664 50.526 7.47269 45.2452 -2.97499 3.44243 5.51352 5.18378 12.0411 TIMING: 2326400 CPU: 7349.02, 0.00324826/step Wall: 7349.02, 0.00324826/step, 2.41238 hours remaining, 239.445312 MB of memory in use. ENERGY: 2326400 4067.4763 20532.2964 14417.3179 252.8389 -202954.1374 2457.7381 0.0000 0.0000 52070.6672 -109155.8026 299.2508 -161226.4698 -108792.1053 300.0072 -40.9733 -6.0252 761776.5391 4.9225 4.9043 PRESSURE: 2326600 137.583 12.8666 127.985 12.8672 -143.271 224.664 127.985 224.665 48.0747 GPRESSURE: 2326600 251.633 68.2745 171.227 99.2435 -125.841 339.648 12.0211 249.534 16.5148 PRESSAVG: 2326600 30.9371 25.3202 -5.17107 25.3202 -17.1776 14.5139 -5.17102 14.5139 -19.0394 GPRESSAVG: 2326600 30.9154 22.9602 -6.13808 26.2623 -17.3778 15.4301 -5.20213 15.9392 -19.2531 TIMING: 2326600 CPU: 7349.66, 0.00321768/step Wall: 7349.66, 0.00321768/step, 2.38948 hours remaining, 239.445312 MB of memory in use. ENERGY: 2326600 4035.4279 20430.3855 14417.6017 253.1944 -203459.5882 2561.4379 0.0000 0.0000 52493.1032 -109268.4376 301.6786 -161761.5408 -108899.3014 299.9858 14.1290 47.4355 762382.6202 -1.7600 -1.9051 PRESSURE: 2326800 -216.367 154.179 50.7253 154.179 -110.082 105.736 50.7254 105.737 -19.344 GPRESSURE: 2326800 -175.595 94.2881 22.0048 177.039 -159.571 138.544 32.331 56.9662 86.0376 PRESSAVG: 2326800 11.2962 46.6346 -7.11873 46.6345 -45.9949 7.38123 -7.11874 7.38128 14.5275 GPRESSAVG: 2326800 11.6712 48.5147 -6.78467 47.7852 -46.9878 7.47404 -9.29504 6.87323 14.9066 TIMING: 2326800 CPU: 7350.3, 0.00321299/step Wall: 7350.3, 0.00321299/step, 2.38583 hours remaining, 239.445312 MB of memory in use. ENERGY: 2326800 4002.8186 20528.5804 14439.1644 236.9212 -203023.8586 2290.3403 0.0000 0.0000 52279.8179 -109246.2158 300.4528 -161526.0336 -108889.2170 300.0447 -115.2643 -83.0430 762709.9837 -6.7237 -6.8033 PRESSURE: 2327000 -204.639 -112.254 -0.574014 -112.255 -338.804 125.218 -0.574324 125.218 -145.449 GPRESSURE: 2327000 -180.49 -157.726 -107.465 -117.051 -268.768 117.479 95.9063 209.213 -133.643 PRESSAVG: 2327000 55.3212 30.2927 -47.5097 30.2928 -51.9856 -4.46511 -47.5097 -4.46505 4.4683 GPRESSAVG: 2327000 53.7692 28.7024 -46.0277 30.0752 -49.9953 -4.6834 -44.0986 -4.88332 4.36861 TIMING: 2327000 CPU: 7350.94, 0.00321343/step Wall: 7350.94, 0.00321343/step, 2.38597 hours remaining, 239.445312 MB of memory in use. ENERGY: 2327000 3987.7410 20519.5434 14432.1623 271.6597 -203169.0830 2407.4373 0.0000 0.0000 52115.3518 -109435.1874 299.5076 -161550.5391 -109072.0154 299.7783 -229.6308 -194.3001 762349.5525 2.6013 2.7142 PRESSURE: 2327200 287.199 23.2459 8.48896 23.2452 53.0611 -85.9302 8.48904 -85.9308 226.949 GPRESSURE: 2327200 343.207 -69.6014 25.2739 -43.6053 88.2618 -119.897 -85.9124 -19.8832 223.082 PRESSAVG: 2327200 5.18382 -17.1487 -22.8064 -17.1487 -14.3234 8.94784 -22.8063 8.94787 17.6261 GPRESSAVG: 2327200 6.19355 -17.1667 -22.4867 -18.7456 -15.2368 9.79113 -24.8975 8.30552 17.9513 TIMING: 2327200 CPU: 7351.59, 0.00321157/step Wall: 7351.59, 0.00321157/step, 2.38442 hours remaining, 239.445312 MB of memory in use. ENERGY: 2327200 4030.8056 20504.8539 14457.6998 232.9343 -203478.0224 2552.9636 0.0000 0.0000 52369.7616 -109329.0037 300.9697 -161698.7652 -108959.6590 299.9995 189.0698 218.1835 759195.5186 2.8288 2.9694 PRESSURE: 2327400 275.142 -36.8088 112.018 -36.8097 23.2049 -133.739 112.017 -133.74 375.247 GPRESSURE: 2327400 329.913 171.236 61.3279 -41.246 112.814 -187.252 116.519 -122.099 303.362 PRESSAVG: 2327400 59.4252 15.2731 -6.84569 15.2732 -26.7815 -8.25007 -6.84572 -8.25009 13.5441 GPRESSAVG: 2327400 59.3472 15.5926 -8.93438 16.3623 -26.8243 -9.89457 -4.82826 -7.35131 13.3811 TIMING: 2327400 CPU: 7352.22, 0.00319093/step Wall: 7352.22, 0.00319093/step, 2.36891 hours remaining, 239.445312 MB of memory in use. ENERGY: 2327400 3887.5498 20625.2986 14462.2789 259.0064 -203108.2217 2355.6630 0.0000 0.0000 52124.8496 -109393.5754 299.5622 -161518.4250 -109022.9195 299.9437 224.5313 248.6961 761141.9674 15.3959 15.3013 PRESSURE: 2327600 -169.924 -58.5186 -77.3373 -58.5178 9.0671 -149.18 -77.3376 -149.18 -207.214 GPRESSURE: 2327600 -85.5023 -53.7247 -104.148 16.7175 -37.636 -211.453 -10.5488 -91.8906 -183.494 PRESSAVG: 2327600 29.2014 -14.0169 -47.3517 -14.0169 -39.0795 -42.4672 -47.3517 -42.4673 2.48605 GPRESSAVG: 2327600 30.2386 -12.209 -46.0319 -13.8158 -39.299 -41.2812 -47.303 -43.0199 1.37845 TIMING: 2327600 CPU: 7352.87, 0.00321426/step Wall: 7352.87, 0.00321426/step, 2.38605 hours remaining, 239.445312 MB of memory in use. ENERGY: 2327600 3969.9318 20804.3096 14467.5429 241.6746 -203351.2243 2325.7228 0.0000 0.0000 52216.7661 -109325.2765 300.0905 -161542.0426 -108969.0689 300.3524 -122.6903 -102.2108 760911.9616 -2.4640 -2.5606 PRESSURE: 2327800 92.364 73.4929 -64.2227 73.4936 283.845 -138.186 -64.2224 -138.186 383.582 GPRESSURE: 2327800 172.483 120.226 -32.1056 4.81047 277.811 -40.0719 -114.057 -158.951 397.755 PRESSAVG: 2327800 88.4603 57.8754 -27.3399 57.8754 -63.5838 -12.8538 -27.3399 -12.8538 -6.12336 GPRESSAVG: 2327800 87.9044 56.5946 -27.4898 56.3996 -64.0948 -13.3826 -27.9094 -14.4409 -5.08182 TIMING: 2327800 CPU: 7353.51, 0.00321383/step Wall: 7353.51, 0.00321383/step, 2.38556 hours remaining, 239.445312 MB of memory in use. ENERGY: 2327800 3938.8469 20669.6495 14475.8557 262.0126 -203809.6500 2671.2993 0.0000 0.0000 52163.8982 -109628.0877 299.7866 -161791.9859 -109248.7050 299.9271 253.2638 282.6828 758679.8130 6.2511 6.2426 PRESSURE: 2328000 10.4636 185.769 -123.842 185.769 -297.481 -261.919 -123.843 -261.918 97.5566 GPRESSURE: 2328000 -3.43534 201.663 -48.8439 240.219 -247.535 -274.428 -126.096 -181.705 132.568 PRESSAVG: 2328000 -2.83698 -37.3337 22.5382 -37.3337 23.484 -47.2525 22.5382 -47.2525 17.3021 GPRESSAVG: 2328000 -4.24111 -35.4832 22.7228 -38.126 24.5964 -46.9232 21.609 -42.5803 17.2316 TIMING: 2328000 CPU: 7354.16, 0.00324481/step Wall: 7354.16, 0.00324481/step, 2.40837 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2328000 3952.8616 20555.0919 14497.2223 268.8881 -203492.4939 2475.9284 0.0000 0.0000 52112.5938 -109629.9078 299.4918 -161742.5016 -109261.4787 299.2554 -63.1536 -39.4675 759330.6863 12.6497 12.5289 PRESSURE: 2328200 184.851 34.6955 29.7918 34.6961 10.0058 36.7216 29.7902 36.7206 233.971 GPRESSURE: 2328200 240.716 -83.5348 13.3123 14.064 87.6318 31.2031 -64.1672 -48.9521 183.596 PRESSAVG: 2328200 83.6115 -15.6594 4.47839 -15.6594 -64.0896 -12.0272 4.47835 -12.0272 1.13268 GPRESSAVG: 2328200 84.3695 -18.0619 4.21575 -14.9303 -64.7607 -11.3888 4.92149 -15.0822 0.578247 TIMING: 2328200 CPU: 7354.8, 0.0032221/step Wall: 7354.8, 0.0032221/step, 2.39134 hours remaining, 239.445312 MB of memory in use. ENERGY: 2328200 3968.0858 20566.2935 14458.7539 233.7470 -203631.7081 2814.0811 0.0000 0.0000 52160.3898 -109430.3570 299.7665 -161590.7468 -109081.3181 300.0776 142.9426 170.6481 760653.8337 6.8849 6.7290 LDB: ============= START OF LOAD BALANCING ============== 7367.21 LDB: ============== END OF LOAD BALANCING =============== 7367.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7367.21 LDB: ============= START OF LOAD BALANCING ============== 7367.54 LDB: Largest compute 7033 load 0.035327 is 18.0% of average load 0.195920 LDB: Average compute 0.004382 is 2.2% of average load 0.195920 LDB: TIME 7367.54 LOAD: AVG 0.19592 MAX 0.217206 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 7367.54 LOAD: AVG 0.19592 MAX 0.217206 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 7367.54 LOAD: AVG 0.19592 MAX 0.217206 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: ============== END OF LOAD BALANCING =============== 7367.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7367.55 PRESSURE: 2328400 51.6746 -36.3712 10.7904 -36.3711 -112.457 47.1797 10.7904 47.1801 -5.78675 GPRESSURE: 2328400 89.9677 -73.0036 95.9053 -131.91 -83.0222 -48.4324 113.248 -62.7536 1.66095 PRESSAVG: 2328400 21.5081 -5.07778 22.0491 -5.07776 -30.1197 -77.8663 22.049 -77.8663 -5.5106 GPRESSAVG: 2328400 21.3161 -4.05661 22.0902 -5.88391 -30.4813 -78.8978 23.5531 -78.3131 -5.41544 TIMING: 2328400 CPU: 7355.46, 0.00330284/step Wall: 7355.46, 0.00330284/step, 2.45107 hours remaining, 239.125000 MB of memory in use. ENERGY: 2328400 3961.9331 20684.3386 14462.2804 254.6759 -203626.9818 2757.5271 0.0000 0.0000 51969.7120 -109536.5148 298.6706 -161506.2268 -109179.2052 299.9823 -22.1898 2.8688 761277.9108 -4.7074 -4.8602 PRESSURE: 2328600 -94.0279 201.838 287.541 201.84 -8.32902 -159.863 287.541 -159.862 -317.079 GPRESSURE: 2328600 -78.6927 155.666 259.89 211.829 13.54 -119.439 178.723 48.006 -271.623 PRESSAVG: 2328600 12.346 21.26 -26.3993 21.2601 13.7033 -57.6497 -26.3993 -57.6498 -6.95219 GPRESSAVG: 2328600 12.5044 17.7065 -25.1499 22.5567 13.9523 -56.8567 -27.1171 -56.5593 -6.90068 TIMING: 2328600 CPU: 7356.11, 0.00320386/step Wall: 7356.11, 0.00320386/step, 2.37744 hours remaining, 239.328125 MB of memory in use. ENERGY: 2328600 4040.1221 20617.0395 14389.0505 249.2065 -203736.4034 2746.1335 0.0000 0.0000 52173.7831 -109521.0682 299.8434 -161694.8513 -109152.3761 299.9229 -139.8120 -112.2587 761617.8760 6.3657 6.5187 PRESSURE: 2328800 -416.543 111.334 -137.4 111.334 284.693 -48.2827 -137.4 -48.2829 -293.956 GPRESSURE: 2328800 -395.049 60.9586 -128.61 31.2944 350.825 -35.773 -170.038 -10.0382 -280.412 PRESSAVG: 2328800 68.5001 22.9479 8.03026 22.9479 -27.2314 -50.3798 8.03023 -50.3798 7.56362 GPRESSAVG: 2328800 69.6903 26.0861 7.24618 23.6294 -27.9741 -50.1217 8.82686 -51.7767 6.93742 TIMING: 2328800 CPU: 7356.75, 0.00322499/step Wall: 7356.75, 0.00322499/step, 2.39294 hours remaining, 239.328125 MB of memory in use. ENERGY: 2328800 4046.3502 20438.2615 14362.8361 271.2528 -203556.0898 2598.1809 0.0000 0.0000 52312.9112 -109526.2972 300.6430 -161839.2084 -109154.0834 299.8802 -141.9353 -108.2120 761262.0892 16.2774 16.2179 PRESSURE: 2329000 20.2321 -138.142 -136.911 -138.142 37.9407 -276.951 -136.91 -276.951 -44.1583 GPRESSURE: 2329000 22.836 -110.579 -116.954 -172.766 52.4653 -277.72 -34.8385 -168.927 10.722 PRESSAVG: 2329000 58.9763 -31.6288 -49.5371 -31.6289 -68.7354 -3.02141 -49.5371 -3.02138 5.68955 GPRESSAVG: 2329000 57.7726 -33.4217 -50.8689 -29.9766 -67.8811 -3.36056 -50.5875 -2.43934 6.19996 TIMING: 2329000 CPU: 7357.39, 0.00320486/step Wall: 7357.39, 0.00320486/step, 2.37783 hours remaining, 239.328125 MB of memory in use. ENERGY: 2329000 3983.8505 20564.9640 14477.4707 265.1809 -203530.6513 2439.4421 0.0000 0.0000 52094.4343 -109705.3089 299.3874 -161799.7431 -109340.3757 299.5503 4.6715 28.6744 760835.7015 -1.3565 -1.3028 PRESSURE: 2329200 12.263 -143.443 -20.5671 -143.443 -362.624 13.2654 -20.5666 13.2663 184.614 GPRESSURE: 2329200 45.8387 -108.097 28.3825 -240.972 -346.321 -29.3033 -105.988 -51.5602 211.68 PRESSAVG: 2329200 -17.7737 -10.3905 -36.2689 -10.3906 -0.0165349 -63.5769 -36.2689 -63.5768 -5.13846 GPRESSAVG: 2329200 -18.2228 -8.43555 -37.6138 -14.6584 0.534694 -63.5642 -35.2077 -63.6439 -4.86691 TIMING: 2329200 CPU: 7358.04, 0.00322022/step Wall: 7358.04, 0.00322022/step, 2.38904 hours remaining, 239.328125 MB of memory in use. ENERGY: 2329200 3949.7416 20441.1373 14433.9607 250.5290 -203269.1861 2578.6095 0.0000 0.0000 51881.1614 -109734.0466 298.1617 -161615.2080 -109365.3690 298.6664 -55.2493 -29.6005 762542.9110 -7.6429 -7.5183 PRESSURE: 2329400 -414.55 -112.859 -129.881 -112.859 -91.5238 -13.3237 -129.881 -13.3234 115.566 GPRESSURE: 2329400 -314.856 8.17799 -132.29 -79.1203 -110.465 11.3648 -134.815 -121.002 106.671 PRESSAVG: 2329400 67.6538 -46.7528 -2.67361 -46.7527 -18.5507 -53.1087 -2.67359 -53.1087 17.3297 GPRESSAVG: 2329400 68.2063 -45.9584 -0.257307 -45.2951 -20.1623 -53.5756 -2.80275 -52.9828 18.0663 TIMING: 2329400 CPU: 7358.68, 0.00323124/step Wall: 7358.68, 0.00323124/step, 2.39704 hours remaining, 239.328125 MB of memory in use. ENERGY: 2329400 3930.5155 20592.9302 14449.9982 245.9462 -203030.0567 2277.9401 0.0000 0.0000 51998.9794 -109533.7471 298.8388 -161532.7265 -109170.0077 299.0779 -130.1691 -106.2166 761545.3466 22.1442 22.0368 PRESSURE: 2329600 282.818 53.6727 -15.3581 53.6725 237.035 -256.92 -15.3579 -256.92 161.185 GPRESSURE: 2329600 245.678 -57.0929 -96.8387 95.5818 349.312 -241.799 -95.0943 -267.332 163.951 PRESSAVG: 2329600 2.53475 19.2669 -17.3333 19.2669 -16.6422 -34.3495 -17.3333 -34.3495 -0.375202 GPRESSAVG: 2329600 1.96311 19.2592 -19.2745 18.3499 -14.9934 -34.8649 -16.2425 -34.0059 -1.08004 TIMING: 2329600 CPU: 7359.33, 0.00322654/step Wall: 7359.33, 0.00322654/step, 2.39338 hours remaining, 239.328125 MB of memory in use. ENERGY: 2329600 3871.2723 20526.9138 14472.9547 240.1878 -203821.1758 2838.1726 0.0000 0.0000 52440.2279 -109431.4467 301.3747 -161871.6746 -109073.9804 299.3705 227.0126 252.9801 759175.1034 -4.8275 -4.7034 PRESSURE: 2329800 -69.1943 -113.32 -65.6619 -113.32 145.842 41.0976 -65.6622 41.0976 -110.107 GPRESSURE: 2329800 -52.4766 35.596 30.9783 -63.0859 195.536 90.8521 -147.949 -82.5884 -107.057 PRESSAVG: 2329800 -71.1941 -13.878 -39.7284 -13.878 75.9701 -47.1592 -39.7284 -47.1592 0.960792 GPRESSAVG: 2329800 -69.9676 -14.8363 -39.2937 -11.4433 75.5021 -44.6065 -42.0655 -48.6457 0.0455315 TIMING: 2329800 CPU: 7359.98, 0.00324587/step Wall: 7359.98, 0.00324587/step, 2.40754 hours remaining, 239.328125 MB of memory in use. ENERGY: 2329800 3982.2895 20550.3030 14466.7731 241.9372 -203277.3907 2260.6373 0.0000 0.0000 52303.1091 -109472.3414 300.5867 -161775.4505 -109103.1462 299.5400 -11.1530 12.0010 762638.2614 1.9123 1.8600 PRESSURE: 2330000 -21.2317 -84.1869 -226.216 -84.1877 -8.40376 255.195 -226.216 255.195 -254.161 GPRESSURE: 2330000 -84.5279 -19.4852 -173.013 -153.4 121.243 179.842 -166.947 126.464 -243.405 PRESSAVG: 2330000 9.47604 26.9299 -23.8438 26.9299 35.7888 31.0806 -23.8438 31.0806 16.381 GPRESSAVG: 2330000 8.48549 25.3954 -24.6516 25.7217 34.2535 27.2269 -22.2178 32.018 18.299 TIMING: 2330000 CPU: 7360.62, 0.00323669/step Wall: 7360.62, 0.00323669/step, 2.40055 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2330000 4017.7960 20668.8168 14438.5315 252.1380 -203446.0803 2506.7768 0.0000 0.0000 51988.8268 -109573.1944 298.7805 -161562.0212 -109216.0410 299.5542 -94.5987 -68.8969 760675.0135 20.5486 20.3460 PRESSURE: 2330200 -295.535 -299.342 109.874 -299.342 -84.9056 -141.116 109.874 -141.116 119.106 GPRESSURE: 2330200 -242.725 -197.325 137.478 -211.761 2.63268 -66.3221 53.3233 -187.455 45.7396 PRESSAVG: 2330200 -5.27333 -43.0128 -46.4079 -43.0129 39.8323 13.7926 -46.4079 13.7926 -11.3469 GPRESSAVG: 2330200 -6.74433 -42.6951 -44.2294 -41.9864 42.2862 14.9143 -47.8178 13.4934 -12.4546 TIMING: 2330200 CPU: 7361.27, 0.00321738/step Wall: 7361.27, 0.00321738/step, 2.38605 hours remaining, 239.328125 MB of memory in use. ENERGY: 2330200 4006.9882 20577.6686 14417.9050 244.0922 -203647.3393 2427.8738 0.0000 0.0000 52184.0623 -109788.7492 299.9025 -161972.8115 -109429.0428 299.0793 -87.1116 -64.7841 761082.5338 7.7373 7.6958 PRESSURE: 2330400 161.717 37.6293 -32.5128 37.6301 -4.36091 -56.192 -32.5137 -56.193 72.6318 GPRESSURE: 2330400 231.842 -19.9256 90.995 123.408 -2.03123 -39.9573 -28.3793 57.0789 93.3686 PRESSAVG: 2330400 -13.1636 -14.5674 -20.5683 -14.5674 -8.76302 -41.6585 -20.5682 -41.6585 -34.8024 GPRESSAVG: 2330400 -11.6093 -14.5709 -20.75 -15.536 -9.97507 -41.7198 -20.1377 -42.1575 -35.0266 TIMING: 2330400 CPU: 7361.91, 0.00323606/step Wall: 7361.91, 0.00323606/step, 2.39972 hours remaining, 239.328125 MB of memory in use. ENERGY: 2330400 3926.5220 20535.6957 14445.4714 255.7483 -203747.5996 2581.1967 0.0000 0.0000 52218.0907 -109784.8748 300.0981 -162002.9655 -109422.3836 298.8310 76.6627 107.7264 760041.9516 -18.9097 -18.8703 PRESSURE: 2330600 -345.205 -121.972 174.243 -121.971 -19.8528 -171.925 174.243 -171.925 59.6426 GPRESSURE: 2330600 -245.983 -100.28 174.805 -64.8015 70.262 -170.936 178.809 -32.0283 -62.0866 PRESSAVG: 2330600 36.7423 18.5631 -27.4718 18.5632 -34.7673 28.7041 -27.4718 28.7041 0.210233 GPRESSAVG: 2330600 36.9376 19.701 -29.1197 18.9397 -35.1805 28.8024 -27.005 30.8364 1.12046 TIMING: 2330600 CPU: 7362.56, 0.00321877/step Wall: 7362.56, 0.00321877/step, 2.38672 hours remaining, 239.328125 MB of memory in use. ENERGY: 2330600 4007.5778 20434.2052 14414.9851 243.2343 -203357.5453 2559.4230 0.0000 0.0000 51940.9072 -109757.2129 298.5051 -161698.1201 -109394.2261 298.7552 -101.8050 -79.2692 762156.5117 0.7284 0.9592 PRESSURE: 2330800 287.395 125.802 170.77 125.802 77.2162 -40.9786 170.77 -40.9784 -60.9529 GPRESSURE: 2330800 267.182 115.331 123.233 104.582 116.459 16.0053 89.1388 -32.6376 13.0453 PRESSAVG: 2330800 52.6879 -18.0133 -24.0345 -18.0133 -40.909 10.2399 -24.0346 10.2399 -3.82888 GPRESSAVG: 2330800 51.8034 -18.0892 -22.907 -17.2706 -40.5053 10.3366 -24.1509 9.35596 -3.7528 TIMING: 2330800 CPU: 7363.2, 0.00322521/step Wall: 7363.2, 0.00322521/step, 2.39132 hours remaining, 239.328125 MB of memory in use. ENERGY: 2330800 4014.5617 20587.7248 14471.8132 262.1211 -203827.0319 3023.8390 0.0000 0.0000 51943.0081 -109523.9641 298.5172 -161466.9722 -109178.1944 298.6039 101.2195 132.2288 762712.5863 2.6500 2.5151 PRESSURE: 2331000 -202.624 -330.24 -103.032 -330.24 98.1214 135.846 -103.032 135.847 -53.5797 GPRESSURE: 2331000 -22.9179 -324.105 -139.115 -273.725 78.7932 144.84 -66.6454 -13.0119 -140.624 PRESSAVG: 2331000 31.5661 4.35338 -11.019 4.35339 7.87926 -9.45677 -11.019 -9.45671 25.7161 GPRESSAVG: 2331000 32.3195 4.5703 -12.5584 3.35507 6.85473 -11.004 -10.4812 -9.25295 25.4248 TIMING: 2331000 CPU: 7363.85, 0.00323936/step Wall: 7363.85, 0.00323936/step, 2.40162 hours remaining, 239.328125 MB of memory in use. ENERGY: 2331000 4006.4898 20545.2993 14467.7697 215.1855 -203216.4105 2345.1313 0.0000 0.0000 51965.9823 -109670.5527 298.6492 -161636.5351 -109307.1545 298.9487 -52.6941 -28.2495 762773.7821 21.7205 21.5330 PRESSURE: 2331200 14.7433 223.701 -56.2523 223.701 -29.494 -77.9758 -56.2523 -77.9769 263.814 GPRESSURE: 2331200 20.0879 133.838 -54.0357 177.343 41.3522 -73.9056 -5.19051 -99.3815 272.812 PRESSAVG: 2331200 23.1017 11.2891 -21.0337 11.2891 -20.7521 -8.57955 -21.0337 -8.57954 11.2869 GPRESSAVG: 2331200 22.8088 10.8525 -20.757 12.2917 -20.4676 -6.98022 -22.6259 -10.608 11.4142 TIMING: 2331200 CPU: 7364.5, 0.00326492/step Wall: 7364.5, 0.00326492/step, 2.42039 hours remaining, 239.328125 MB of memory in use. ENERGY: 2331200 3935.1406 20550.8427 14453.9313 243.3013 -203758.9299 2981.5179 0.0000 0.0000 51936.1482 -109658.0480 298.4778 -161594.1961 -109300.4487 298.9264 83.0210 111.4174 761451.0675 4.5455 4.5851 PRESSURE: 2331400 -144.937 18.8843 105.463 18.884 -126.306 -97.7167 105.462 -97.7153 19.0853 GPRESSURE: 2331400 -176.252 41.5397 74.6051 39.7191 9.31932 -114.623 31.1536 78.7044 -12.7291 PRESSAVG: 2331400 30.0954 75.4999 -7.64945 75.4997 -23.3476 4.84733 -7.64943 4.84735 8.44311 GPRESSAVG: 2331400 28.5335 75.2701 -6.8278 73.431 -21.6664 4.93316 -6.70325 5.77965 8.40777 TIMING: 2331400 CPU: 7365.15, 0.00321305/step Wall: 7365.15, 0.00321305/step, 2.38176 hours remaining, 239.328125 MB of memory in use. ENERGY: 2331400 3923.6374 20512.5109 14474.0147 245.5853 -203482.5999 2429.0899 0.0000 0.0000 52018.1943 -109879.5675 298.9493 -161897.7618 -109521.1970 298.6065 -84.0523 -59.8872 761644.3145 5.0637 5.0916 PRESSURE: 2331600 -309.417 -351.772 -385.7 -351.772 56.4389 16.6008 -385.7 16.6013 -90.8884 GPRESSURE: 2331600 -250.588 -313.206 -309.833 -339.332 75.653 45.1171 -380.242 29.0875 -95.3425 PRESSAVG: 2331600 -38.7655 5.84864 -16.2816 5.84865 48.4943 -36.9992 -16.2815 -36.9993 0.352789 GPRESSAVG: 2331600 -38.136 7.26998 -16.9248 6.82113 48.0406 -37.9299 -18.7284 -37.0577 0.78744 TIMING: 2331600 CPU: 7365.79, 0.00320939/step Wall: 7365.79, 0.00320939/step, 2.37887 hours remaining, 239.328125 MB of memory in use. ENERGY: 2331600 3943.4122 20438.1220 14367.4539 222.1620 -203556.9346 2453.5181 0.0000 0.0000 52456.6427 -109675.6237 301.4690 -162132.2664 -109307.6370 298.7932 -114.6222 -90.0925 761580.0378 3.3605 3.5640 PRESSURE: 2331800 -87.6804 207.184 -27.4689 207.185 -61.3102 51.4778 -27.4695 51.4781 -99.9709 GPRESSURE: 2331800 61.3079 95.5505 -96.9967 195.407 -112.942 168.262 7.99296 1.77793 -112.061 PRESSAVG: 2331800 -4.10118 -0.633463 -27.855 -0.633498 -2.75374 -28.7464 -27.855 -28.7464 3.989 GPRESSAVG: 2331800 -3.57544 -0.514206 -27.0519 -1.22082 -2.81681 -28.8546 -25.8839 -28.8566 3.32825 TIMING: 2331800 CPU: 7366.43, 0.00322349/step Wall: 7366.43, 0.00322349/step, 2.38914 hours remaining, 239.328125 MB of memory in use. ENERGY: 2331800 4023.4414 20647.8114 14463.9569 231.9359 -203688.0892 2723.3769 0.0000 0.0000 52060.0422 -109537.5245 299.1898 -161597.5667 -109172.6822 299.3635 -82.9871 -54.5648 761470.6549 -0.9553 -1.0213 PRESSURE: 2332000 41.8645 102.254 -187.483 102.254 -442.142 -76.9772 -187.483 -76.9779 -94.5218 GPRESSURE: 2332000 50.6727 193.414 -123.834 29.9283 -370.546 -207.568 -193.463 -61.8641 -100.946 PRESSAVG: 2332000 -10.5192 -12.9309 -79.8214 -12.931 5.28753 -11.3684 -79.8215 -11.3683 16.5741 GPRESSAVG: 2332000 -8.94498 -15.2056 -80.072 -12.5432 4.13217 -11.905 -78.8664 -11.7074 16.2127 TIMING: 2332000 CPU: 7367.07, 0.0032077/step Wall: 7367.07, 0.0032077/step, 2.37726 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2332000 4007.4347 20552.5145 14463.6359 237.2230 -203162.5458 2242.1234 0.0000 0.0000 51927.7098 -109731.9045 298.4293 -161659.6143 -109365.7212 299.0680 -164.9333 -140.2734 762116.3989 3.7808 3.8000 PRESSURE: 2332200 45.2852 58.3619 -26.451 58.362 -319.429 -332.359 -26.4511 -332.359 90.0631 GPRESSURE: 2332200 -59.62 60.1638 27.184 29.8342 -142.17 -195.594 -58.4901 -393.339 111.127 PRESSAVG: 2332200 1.36221 13.1186 -33.3762 13.1185 28.4098 -31.1748 -33.3761 -31.1749 -14.8342 GPRESSAVG: 2332200 -0.883176 14.5459 -33.8299 13.5076 30.6553 -31.2145 -34.6135 -28.6074 -14.7736 TIMING: 2332200 CPU: 7367.72, 0.00321173/step Wall: 7367.72, 0.00321173/step, 2.38007 hours remaining, 239.328125 MB of memory in use. ENERGY: 2332200 4014.6821 20350.2787 14445.9829 254.8366 -203430.0408 2412.6852 0.0000 0.0000 52013.6546 -109937.9208 298.9232 -161951.5754 -109579.2709 298.4848 -61.3602 -30.2208 760622.9447 4.9793 4.9995 LDB: ============= START OF LOAD BALANCING ============== 7380.12 LDB: ============== END OF LOAD BALANCING =============== 7380.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7380.12 LDB: ============= START OF LOAD BALANCING ============== 7380.44 LDB: Largest compute 7033 load 0.034049 is 17.4% of average load 0.195917 LDB: Average compute 0.004386 is 2.2% of average load 0.195917 LDB: TIME 7380.44 LOAD: AVG 0.195917 MAX 0.217025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 7380.44 LOAD: AVG 0.195917 MAX 0.217025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.652 MB LDB: TIME 7380.44 LOAD: AVG 0.195917 MAX 0.217025 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.652 MB LDB: ============== END OF LOAD BALANCING =============== 7380.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7380.45 PRESSURE: 2332400 82.989 8.07502 44.2908 8.07573 242.249 -47.1568 44.2913 -47.1578 -32.4814 GPRESSURE: 2332400 189.497 16.5703 67.7861 128.52 289.525 -96.0546 101.87 -85.7897 -98.5834 PRESSAVG: 2332400 -5.47072 -21.988 -14.2365 -21.988 7.61226 -45.0204 -14.2365 -45.0205 6.98476 GPRESSAVG: 2332400 -4.96447 -21.5348 -14.9868 -22.2815 5.40298 -43.8496 -12.0277 -49.0536 8.54048 TIMING: 2332400 CPU: 7368.37, 0.00326036/step Wall: 7368.37, 0.00326036/step, 2.41593 hours remaining, 239.894531 MB of memory in use. ENERGY: 2332400 3995.0558 20427.4017 14450.8279 246.8865 -203126.9725 2284.5378 0.0000 0.0000 51798.9340 -109923.3288 297.6892 -161722.2628 -109567.8170 298.0336 97.5854 126.8128 760772.0899 3.0421 2.9930 PRESSURE: 2332600 -121.568 314.961 -78.5636 314.961 -67.4217 -112.792 -78.5629 -112.793 191.028 GPRESSURE: 2332600 -64.8911 330.497 -160.975 356.292 55.099 -39.5603 -27.6011 -55.4946 112.569 PRESSAVG: 2332600 -32.3712 30.1065 -1.21679 30.1065 -10.6166 -11.81 -1.21683 -11.81 -11.0423 GPRESSAVG: 2332600 -32.3816 32.24 -0.345833 31.0356 -9.98429 -11.2185 -3.41403 -10.9331 -11.8246 TIMING: 2332600 CPU: 7369.02, 0.00324452/step Wall: 7369.02, 0.00324452/step, 2.40401 hours remaining, 239.894531 MB of memory in use. ENERGY: 2332600 3967.6971 20448.6215 14425.0157 247.4691 -203174.2026 2303.2086 0.0000 0.0000 51822.5333 -109959.6574 297.8248 -161782.1907 -109600.9469 297.9074 0.6793 34.2591 761242.6765 -18.0100 -18.0635 PRESSURE: 2332800 68.033 -146.141 178.2 -146.141 -164.907 193.59 178.201 193.59 -347.616 GPRESSURE: 2332800 60.4123 -177.421 241.624 -126.39 -100.826 93.2799 229.168 93.0317 -315.631 PRESSAVG: 2332800 25.6772 19.1457 23.1897 19.1458 -48.7334 -0.585647 23.1898 -0.585656 8.66899 GPRESSAVG: 2332800 26.027 18.1365 23.6386 19.0037 -49.2032 -0.372188 24.163 -1.01258 8.31949 TIMING: 2332800 CPU: 7369.66, 0.00323406/step Wall: 7369.66, 0.00323406/step, 2.39608 hours remaining, 239.894531 MB of memory in use. ENERGY: 2332800 3868.3232 20536.0205 14506.4048 222.0480 -203555.9859 2635.3378 0.0000 0.0000 51844.7403 -109943.1113 297.9524 -161787.8516 -109585.1423 298.1945 -148.1631 -118.6818 761917.0705 -4.7957 -4.9522 PRESSURE: 2333000 -382.952 112.387 -34.4046 112.388 -61.617 118.645 -34.4043 118.644 -268.984 GPRESSURE: 2333000 -348.548 -4.11474 122.01 -16.4544 15.4315 106.876 -28.2161 171.527 -309.216 PRESSAVG: 2333000 -2.63177 25.3045 43.8048 25.3046 14.1026 13.2641 43.8048 13.264 -11.8813 GPRESSAVG: 2333000 -2.30977 24.0515 46.0774 24.1222 14.0048 12.5305 43.3266 14.548 -11.6799 TIMING: 2333000 CPU: 7370.31, 0.00322952/step Wall: 7370.31, 0.00322953/step, 2.39254 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333000 3992.6706 20591.4779 14447.0960 249.8095 -203421.5353 2385.3934 0.0000 0.0000 51916.4642 -109838.6237 298.3646 -161755.0880 -109474.0565 298.4453 -237.8510 -214.1110 761663.0270 -0.1368 0.0050 PRESSURE: 2333200 25.2109 79.5729 41.4616 79.5722 204.36 190.685 41.4606 190.684 86.2187 GPRESSURE: 2333200 177.263 91.6975 90.0088 187.755 162.838 117.849 7.26933 82.6315 56.6018 PRESSAVG: 2333200 -50.8545 9.81696 33.0203 9.81697 -16.7555 12.6113 33.0203 12.6112 4.61017 GPRESSAVG: 2333200 -50.5096 8.64002 31.1767 11.1981 -16.5313 13.1636 34.1531 12.6616 4.41905 TIMING: 2333200 CPU: 7370.96, 0.00323204/step Wall: 7370.96, 0.00323204/step, 2.39422 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333200 4019.1016 20556.8979 14476.2935 252.4174 -203689.7589 2750.1118 0.0000 0.0000 52123.2032 -109511.7335 299.5528 -161634.9367 -109152.9407 298.6274 105.2633 132.2342 761504.0991 -21.0000 -20.8740 PRESSURE: 2333400 164.327 265.126 418.473 265.126 3.0128 -4.73313 418.473 -4.7332 688.399 GPRESSURE: 2333400 189.385 303.595 347.028 184.214 137.63 -64.5708 326.901 -58.287 611.783 PRESSAVG: 2333400 16.0791 34.3721 19.0129 34.3721 -14.7246 -16.4262 19.0129 -16.4262 -2.7073 GPRESSAVG: 2333400 15.0812 35.7856 17.9101 33.529 -14.1902 -17.6429 18.8225 -17.2807 -2.28567 TIMING: 2333400 CPU: 7371.6, 0.00322457/step Wall: 7371.6, 0.00322457/step, 2.38851 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333400 3901.6033 20532.1029 14356.3719 237.7232 -203345.3043 2512.3893 0.0000 0.0000 52091.2174 -109713.8964 299.3689 -161805.1138 -109356.9679 299.2663 285.2465 312.9329 762727.4815 -0.4509 -0.4649 PRESSURE: 2333600 -133.756 -64.4006 41.6258 -64.401 16.9983 60.8456 41.6265 60.8463 106.545 GPRESSURE: 2333600 26.3463 -90.4095 53.8647 36.9839 -28.3876 88.2064 24.429 62.6478 74.206 PRESSAVG: 2333600 -27.0381 33.1785 -27.2863 33.1784 20.4396 0.16139 -27.2862 0.161409 16.5501 GPRESSAVG: 2333600 -26.9732 32.492 -25.5813 32.825 19.6943 1.1963 -29.6081 1.11199 16.7067 TIMING: 2333600 CPU: 7372.25, 0.00322031/step Wall: 7372.25, 0.00322031/step, 2.38518 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333600 3928.9978 20415.7466 14439.4810 250.4342 -203074.4288 2419.9087 0.0000 0.0000 52081.1450 -109538.7156 299.3111 -161619.8605 -109185.3631 298.8956 -3.4043 24.0549 762116.9798 3.3172 3.1426 PRESSURE: 2333800 262.448 -32.7373 48.1903 -32.7379 -235.151 -198.36 48.19 -198.361 -36.8702 GPRESSURE: 2333800 225.947 40.4206 99.3073 -40.0321 -113.313 -237.289 -68.1058 -124.274 -15.0899 PRESSAVG: 2333800 -45.4846 30.4884 -10.5088 30.4884 19.1003 -24.9783 -10.5088 -24.9783 -12.2104 GPRESSAVG: 2333800 -45.6868 31.233 -10.1944 31.2288 19.0333 -26.0367 -9.60101 -24.649 -12.4969 TIMING: 2333800 CPU: 7372.89, 0.00320897/step Wall: 7372.89, 0.00320897/step, 2.3766 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333800 4098.0119 20551.0926 14400.5977 259.2405 -203465.5304 2558.1958 0.0000 0.0000 52001.6254 -109596.7665 298.8541 -161598.3919 -109238.9415 299.3719 -3.1911 32.5147 760418.3915 -12.8649 -13.0501 PRESSURE: 2334000 167.367 -27.3033 114.8 -27.3036 175.459 160.392 114.8 160.392 -75.5581 GPRESSURE: 2334000 189.069 -112.498 131.62 10.7325 243.893 175.827 177.84 119.41 -76.0405 PRESSAVG: 2334000 10.0524 -2.44101 -9.52906 -2.44107 9.106 -49.5416 -9.52913 -49.5416 23.4904 GPRESSAVG: 2334000 9.1488 -2.6316 -12.325 -3.29134 10.5119 -48.1553 -9.37863 -50.8455 22.6127 TIMING: 2334000 CPU: 7373.53, 0.00320713/step Wall: 7373.53, 0.00320713/step, 2.37506 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2334000 4020.3692 20502.9644 14470.7212 257.2666 -203370.1094 2462.7803 0.0000 0.0000 51812.3230 -109843.6846 297.7661 -161656.0076 -109488.3624 298.8928 89.0891 118.9736 760798.6081 14.2163 14.0911 PRESSURE: 2334200 235.734 -10.807 -107.027 -10.8064 -14.9806 185.767 -107.028 185.768 14.524 GPRESSURE: 2334200 173.557 -1.7916 -60.4768 -48.7836 92.5432 108.753 -59.8332 -73.343 44.002 PRESSAVG: 2334200 -8.25123 -48.2275 -25.1693 -48.2275 -1.21513 -24.46 -25.1693 -24.46 -0.797749 GPRESSAVG: 2334200 -7.08085 -47.0439 -25.2378 -46.4631 -2.38967 -23.4133 -22.4428 -24.6751 -1.4953 TIMING: 2334200 CPU: 7374.17, 0.00319619/step Wall: 7374.17, 0.00319619/step, 2.36678 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334200 4000.7673 20418.4562 14508.5927 257.1361 -203570.9764 2680.8304 0.0000 0.0000 52185.8224 -109519.3714 299.9126 -161705.1938 -109160.3807 299.3787 78.4256 103.3675 760262.5649 -3.4214 -3.6553 PRESSURE: 2334400 -138.499 37.1952 -4.9635 37.1934 -64.0998 8.45148 -4.96428 8.45136 -211.673 GPRESSURE: 2334400 -138.146 7.19028 -30.4715 43.5649 48.4759 52.2145 -11.6041 -17.1847 -239.215 PRESSAVG: 2334400 4.05824 16.4154 15.1857 16.4154 14.9079 -4.67647 15.1857 -4.67649 7.18406 GPRESSAVG: 2334400 3.69655 15.3769 17.516 14.155 14.8667 -6.19786 13.0693 -4.60614 7.65217 TIMING: 2334400 CPU: 7374.81, 0.00321343/step Wall: 7374.81, 0.00321343/step, 2.37937 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334400 4037.3553 20655.0533 14474.5253 252.4118 -203165.0080 2322.7510 0.0000 0.0000 52128.6336 -109294.2776 299.5840 -161422.9112 -108930.8740 300.3426 -138.0903 -109.6284 761223.9936 8.7167 8.7385 PRESSURE: 2334600 -63.6694 94.8154 -13.9895 94.8154 146.26 182.96 -13.9893 182.96 -407.241 GPRESSURE: 2334600 -35.4959 50.7218 1.14457 60.649 197.808 197.821 66.823 146.425 -409 PRESSAVG: 2334600 -37.5973 34.4427 -10.938 34.4428 13.512 -35.8933 -10.938 -35.8934 18.5489 GPRESSAVG: 2334600 -37.6793 33.555 -12.4811 36.3557 13.1696 -34.8861 -9.32702 -34.1709 17.833 TIMING: 2334600 CPU: 7375.46, 0.0032314/step Wall: 7375.46, 0.0032314/step, 2.39249 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334600 4043.4621 20502.1438 14523.7084 242.2210 -203565.3865 2435.4664 0.0000 0.0000 52390.3339 -109428.0509 301.0880 -161818.3848 -109057.1322 300.1282 -108.2169 -82.2290 759317.7151 -1.8455 -2.2256 PRESSURE: 2334800 -2.14562 -86.1571 151.924 -86.1576 5.37491 -99.4634 151.925 -99.4635 -100.259 GPRESSURE: 2334800 41.2036 -64.1328 129.772 -93.2589 -32.5197 -72.7232 80.557 -103.337 -7.18045 PRESSAVG: 2334800 -11.4846 -5.38667 6.80852 -5.38659 3.79429 -21.015 6.8086 -21.0149 -7.50227 GPRESSAVG: 2334800 -11.8302 -4.90967 8.90238 -7.26971 2.84917 -21.4485 2.90729 -21.819 -6.15279 TIMING: 2334800 CPU: 7376.1, 0.0032275/step Wall: 7376.1, 0.0032275/step, 2.38942 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334800 3906.8643 20567.0788 14491.5451 261.8417 -203431.6912 2459.6833 0.0000 0.0000 52141.4989 -109603.1792 299.6579 -161744.6780 -109244.9294 299.5753 -32.3433 0.5012 760698.0347 -5.0642 -5.0446 PRESSURE: 2335000 -370.079 -105.588 -380.453 -105.588 -317.535 33.5632 -380.453 33.5628 112.835 GPRESSURE: 2335000 -371.462 -152.52 -393.591 -8.58775 -220.469 -30.8133 -241.206 8.21648 98.6664 PRESSAVG: 2335000 8.96195 -81.5909 -3.69221 -81.5908 -19.5645 -41.5803 -3.69222 -41.5803 -11.8996 GPRESSAVG: 2335000 9.57883 -83.3113 -4.52367 -78.3265 -19.0282 -40.5821 -1.13853 -42.1316 -12.9939 TIMING: 2335000 CPU: 7376.74, 0.00320615/step Wall: 7376.74, 0.00320615/step, 2.37344 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335000 3993.4061 20583.5493 14430.5072 261.8035 -203352.2407 2504.2098 0.0000 0.0000 52178.6034 -109400.1614 299.8712 -161578.7648 -109047.0223 299.1492 -191.5932 -164.4215 759197.5193 -7.5007 -7.4811 PRESSURE: 2335200 -15.1642 -228.25 108.161 -228.25 -163.196 40.9553 108.159 40.9545 -91.9749 GPRESSURE: 2335200 47.3554 -152.927 134.205 -294.562 -142.346 97.4731 75.5331 153.285 -89.0387 PRESSAVG: 2335200 12.3977 -13.1381 3.80333 -13.1381 -32.5989 14.4511 3.80338 14.451 4.09537 GPRESSAVG: 2335200 11.7085 -12.3698 3.63232 -15.0439 -32.6719 13.3228 5.10327 14.7324 4.20895 TIMING: 2335200 CPU: 7377.38, 0.00320193/step Wall: 7377.38, 0.00320193/step, 2.37014 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335200 3975.0681 20607.5330 14372.3715 239.4958 -203029.4081 2176.1206 0.0000 0.0000 52184.4648 -109474.3543 299.9048 -161658.8191 -109110.9316 299.3599 -90.1118 -61.3430 760762.7111 -5.3686 -5.5848 PRESSURE: 2335400 -400.868 -151.383 165.407 -151.382 -110.406 66.3215 165.408 66.3219 -248.139 GPRESSURE: 2335400 -382.223 -142.138 120.879 -121.33 -88.3918 52.34 225.716 -13.7672 -202.485 PRESSAVG: 2335400 -55.249 -79.5769 20.7328 -79.577 -16.2232 -76.3333 20.7329 -76.3333 -15.4333 GPRESSAVG: 2335400 -55.0868 -78.3926 18.6326 -79.9546 -16.2782 -75.9762 20.9759 -76.0486 -15.0798 TIMING: 2335400 CPU: 7378.02, 0.00320337/step Wall: 7378.02, 0.00320337/step, 2.37103 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335400 4026.7445 20634.2767 14393.5985 228.3533 -203616.0439 2587.0862 0.0000 0.0000 52111.4709 -109634.5138 299.4853 -161745.9846 -109277.0015 298.9853 -253.1377 -224.3666 760014.5945 -28.9685 -28.8150 PRESSURE: 2335600 -207.933 -67.356 93.5457 -67.3558 -96.8414 21.3908 93.5456 21.3907 -286.978 GPRESSURE: 2335600 -157.987 -53.3684 43.8199 -137.586 -53.4482 -24.3753 75.7056 135.264 -289.665 PRESSAVG: 2335600 21.0103 11.4357 7.16918 11.4357 -13.2224 8.50269 7.16918 8.50266 -5.07038 GPRESSAVG: 2335600 21.213 10.665 10.5199 9.63582 -12.0217 8.42519 5.40701 8.95301 -6.55466 TIMING: 2335600 CPU: 7378.67, 0.00320505/step Wall: 7378.67, 0.00320505/step, 2.3721 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335600 4089.7301 20707.5902 14399.7789 235.3360 -203806.4897 2722.8960 0.0000 0.0000 51842.0615 -109809.0970 297.9370 -161651.1585 -109459.7397 299.1416 -197.2511 -167.0334 762119.9720 0.9058 0.8789 PRESSURE: 2335800 -74.4035 171.917 21.3584 171.916 45.0731 -255.428 21.3579 -255.428 143.177 GPRESSURE: 2335800 -11.4763 200.821 28.7009 183.263 124.054 -181.466 50.3612 -277.53 94.5703 PRESSAVG: 2335800 -37.9073 11.3199 41.4368 11.3199 1.97321 -18.2325 41.4368 -18.2325 1.89254 GPRESSAVG: 2335800 -38.2144 10.7313 40.3246 12.8682 -0.48761 -18.7134 41.3543 -17.8865 4.13314 TIMING: 2335800 CPU: 7379.3, 0.00319077/step Wall: 7379.3, 0.00319077/step, 2.36135 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335800 4015.9999 20643.4363 14414.5394 254.1673 -203613.9952 2718.5961 0.0000 0.0000 51802.2121 -109765.0440 297.7080 -161567.2561 -109403.3066 298.9876 37.9488 69.0494 761701.5143 -11.3472 -11.5230 PRESSURE: 2336000 70.0314 -61.6469 -0.347801 -61.6469 -92.0827 10.4335 -0.347514 10.4319 60.4246 GPRESSURE: 2336000 50.7163 -38.4605 -41.0501 -153.297 -23.8855 116.996 -19.1338 -70.9751 97.9272 PRESSAVG: 2336000 18.1829 -34.9034 55.1221 -34.9034 38.3951 -32.7175 55.122 -32.7175 18.436 GPRESSAVG: 2336000 17.7567 -34.5318 54.7358 -31.7192 39.7999 -31.9452 54.0334 -33.6971 17.9068 TIMING: 2336000 CPU: 7379.94, 0.00319787/step Wall: 7379.94, 0.00319787/step, 2.36642 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2336000 3921.7407 20459.5037 14469.3732 255.6994 -203685.2856 2679.2628 0.0000 0.0000 51992.3948 -109907.3110 298.8010 -161899.7058 -109548.4464 299.0406 12.7911 41.5860 761407.3981 25.0047 25.1545 PRESSURE: 2336200 -101.296 -67.2076 -13.2366 -67.2074 44.2088 155.493 -13.2379 155.493 -279.836 GPRESSURE: 2336200 -127.87 -45.9928 37.1996 -123.686 163.607 143.323 -14.9922 249.96 -303.981 PRESSAVG: 2336200 -28.6822 -8.42784 -49.5618 -8.42784 23.1656 -25.9422 -49.5618 -25.9422 2.87073 GPRESSAVG: 2336200 -28.4886 -6.74796 -47.7596 -11.3866 23.9454 -25.6996 -49.6652 -26.4666 1.92326 TIMING: 2336200 CPU: 7380.58, 0.00319516/step Wall: 7380.58, 0.00319516/step, 2.36424 hours remaining, 239.894531 MB of memory in use. ENERGY: 2336200 3984.1223 20516.1639 14351.5939 251.4277 -203613.9700 2690.4134 0.0000 0.0000 52043.7434 -109776.5054 299.0961 -161820.2488 -109420.0718 298.6231 -112.3079 -89.4147 762377.5691 -0.8820 -0.8733 LDB: ============= START OF LOAD BALANCING ============== 7392.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7392.99 LDB: =============== DONE WITH MIGRATION ================ 7392.99 LDB: ============= START OF LOAD BALANCING ============== 7393.31 LDB: Largest compute 7033 load 0.035671 is 18.2% of average load 0.195911 LDB: Average compute 0.004389 is 2.2% of average load 0.195911 LDB: TIME 7393.31 LOAD: AVG 0.195911 MAX 0.217644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 7393.31 LOAD: AVG 0.195911 MAX 0.217644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: TIME 7393.31 LOAD: AVG 0.195911 MAX 0.217644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: ============== END OF LOAD BALANCING =============== 7393.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7393.32 PRESSURE: 2336400 453.756 -153.536 222.327 -153.535 -90.3816 74.2504 222.326 74.2501 -56.2969 GPRESSURE: 2336400 447.866 -145.239 291.218 -66.6194 23.1103 91.0495 153.961 -113.725 -96.6874 PRESSAVG: 2336400 22.4739 -40.7464 7.28061 -40.7463 -31.9258 -19.6208 7.28059 -19.6208 -2.84579 GPRESSAVG: 2336400 22.1955 -40.9958 5.64051 -41.2575 -31.727 -20.9032 9.78712 -20.4924 -2.49979 TIMING: 2336400 CPU: 7381.24, 0.00327702/step Wall: 7381.24, 0.00327702/step, 2.42463 hours remaining, 237.843750 MB of memory in use. ENERGY: 2336400 3949.5063 20519.8915 14438.4211 244.6641 -204130.9299 2940.6720 0.0000 0.0000 52170.4945 -109867.2805 299.8245 -162037.7749 -109503.2402 299.0694 102.3592 124.7629 759174.0767 -4.0992 -4.0104 PRESSURE: 2336600 -711.615 92.8707 -107.187 92.8719 32.1348 -106.787 -107.187 -106.787 -130.41 GPRESSURE: 2336600 -569.909 31.4358 -48.4191 -41.519 -29.5413 -24.5495 -158.296 40.819 -112.59 PRESSAVG: 2336600 35.0397 -78.5061 15.2144 -78.5062 25.4172 -55.7845 15.2144 -55.7845 3.91705 GPRESSAVG: 2336600 36.4839 -78.4883 16.1387 -77.1906 24.1893 -53.4966 16.075 -56.5852 4.09679 TIMING: 2336600 CPU: 7381.88, 0.00321578/step Wall: 7381.88, 0.00321578/step, 2.37914 hours remaining, 238.046875 MB of memory in use. ENERGY: 2336600 3970.5863 20476.1593 14482.3961 237.9804 -203249.6764 2378.4377 0.0000 0.0000 51823.9121 -109880.2043 297.8327 -161704.1165 -109515.7085 298.6003 -269.9635 -237.3468 758894.0247 21.4580 21.5900 PRESSURE: 2336800 -397.546 -178.925 -19.0505 -178.925 269.715 -251.686 -19.0504 -251.686 -239.939 GPRESSURE: 2336800 -315.673 -93.406 73.32 -252.824 218.436 -258.929 -168.008 -234.239 -187.256 PRESSAVG: 2336800 -10.7015 -30.2197 10.5146 -30.2197 -1.20813 7.15027 10.5145 7.15029 -22.3107 GPRESSAVG: 2336800 -11.52 -30.0647 10.5533 -31.365 -1.01252 5.50054 9.1432 9.62759 -22.1854 TIMING: 2336800 CPU: 7382.53, 0.00321922/step Wall: 7382.53, 0.00321922/step, 2.38151 hours remaining, 238.046875 MB of memory in use. ENERGY: 2336800 3939.6570 20746.7990 14427.0428 264.4272 -203169.2866 2242.8320 0.0000 0.0000 51994.1433 -109554.3853 298.8111 -161548.5286 -109199.5634 299.0155 -122.5902 -94.8309 759236.0909 -11.4068 -11.5726 PRESSURE: 2337000 210.365 -127.072 -117.607 -127.072 455.986 127.001 -117.606 127.002 258.045 GPRESSURE: 2337000 220.134 -70.831 -160.03 -110.698 507.065 93.0558 -73.977 36.0988 277.79 PRESSAVG: 2337000 -7.28784 26.2662 4.53014 26.2661 30.9467 -14.6502 4.53014 -14.6502 21.4367 GPRESSAVG: 2337000 -6.73552 25.0102 4.31929 27.2067 31.1942 -14.7212 6.43815 -15.3543 20.5567 TIMING: 2337000 CPU: 7383.17, 0.00324049/step Wall: 7383.17, 0.0032405/step, 2.39707 hours remaining, 238.046875 MB of memory in use. ENERGY: 2337000 3929.6753 20619.9417 14471.8569 272.0281 -203640.8575 2653.5467 0.0000 0.0000 51993.4786 -109700.3301 298.8072 -161693.8087 -109332.6286 298.9562 308.1318 334.9964 759421.0942 15.0319 15.0051 PRESSURE: 2337200 -193.425 70.2085 95.3512 70.2078 61.9326 147.121 95.3524 147.122 41.3793 GPRESSURE: 2337200 -113.661 174.545 78.8792 36.2227 79.6945 238.146 37.6451 104.76 43.4118 PRESSAVG: 2337200 -27.0143 -27.1419 32.4233 -27.1419 -2.60697 -38.423 32.4232 -38.423 16.4958 GPRESSAVG: 2337200 -27.6774 -26.4731 31.4222 -26.7938 -1.74786 -38.9519 30.2228 -37.9419 15.852 TIMING: 2337200 CPU: 7383.82, 0.00324944/step Wall: 7383.82, 0.00324944/step, 2.4035 hours remaining, 238.046875 MB of memory in use. ENERGY: 2337200 4014.9699 20671.7159 14466.3977 256.6904 -203503.9378 2410.4793 0.0000 0.0000 52063.3952 -109620.2895 299.2090 -161683.6847 -109253.5078 299.4286 -30.0378 3.1483 759567.8712 -4.3752 -4.5244 PRESSURE: 2337400 -181.737 0.523539 41.503 0.523231 -220.838 39.7208 41.5034 39.7216 -203.657 GPRESSURE: 2337400 -201.214 36.4886 37.7613 2.35327 -154.132 53.2799 37.3023 89.0367 -168.556 PRESSAVG: 2337400 -71.7402 8.71233 -17.7064 8.71231 100.479 -12.2259 -17.7064 -12.2258 -8.68569 GPRESSAVG: 2337400 -71.6686 9.90734 -18.8856 7.80734 100.218 -10.8137 -15.174 -12.8349 -8.54504 TIMING: 2337400 CPU: 7384.47, 0.00322016/step Wall: 7384.47, 0.00322016/step, 2.38167 hours remaining, 238.046875 MB of memory in use. ENERGY: 2337400 3978.1497 20605.9098 14495.9017 257.3172 -203366.8770 2387.1544 0.0000 0.0000 52001.2444 -109641.1997 298.8519 -161642.4441 -109268.6092 299.2030 -202.0769 -174.6340 759769.8067 6.6845 6.6681 PRESSURE: 2337600 127.123 58.6887 51.7954 58.6899 285.441 -170.546 51.7961 -170.547 -337.496 GPRESSURE: 2337600 207.019 33.1267 -1.1395 118.133 312.13 -99.5369 -13.0273 -244.634 -378.111 PRESSAVG: 2337600 -43.8295 14.014 32.2975 14.014 18.699 -67.9832 32.2975 -67.9833 -15.1862 GPRESSAVG: 2337600 -44.8555 13.5162 34.3911 14.794 20.6143 -68.8009 29.5135 -68.2357 -15.7266 TIMING: 2337600 CPU: 7385.11, 0.00321881/step Wall: 7385.11, 0.00321881/step, 2.38049 hours remaining, 238.046875 MB of memory in use. ENERGY: 2337600 3958.5245 20572.7470 14393.7567 256.7152 -203928.3027 2860.2604 0.0000 0.0000 52231.2693 -109655.0295 300.1738 -161886.2989 -109283.2525 299.2398 25.0226 47.0126 759266.2378 -13.4389 -13.3226 PRESSURE: 2337800 -56.6764 -297.216 359.784 -297.216 85.4405 60.1054 359.784 60.1045 -62.1503 GPRESSURE: 2337800 101.207 -294.795 351.103 -204.465 -8.52148 -12.782 355.56 141.723 -44.0657 PRESSAVG: 2337800 -20.1338 -65.7456 25.8347 -65.7456 6.14861 -15.3877 25.8347 -15.3877 31.425 GPRESSAVG: 2337800 -17.7178 -65.9005 26.9996 -67.9354 4.57293 -14.3525 24.973 -15.358 30.7945 TIMING: 2337800 CPU: 7385.75, 0.00320793/step Wall: 7385.75, 0.00320793/step, 2.37227 hours remaining, 238.046875 MB of memory in use. ENERGY: 2337800 4012.9835 20608.8660 14433.3696 265.0343 -203627.1118 2697.9753 0.0000 0.0000 52133.1637 -109475.7194 299.6100 -161608.8831 -109119.7542 299.8206 -11.1287 16.2065 760961.5279 5.8133 5.8832 PRESSURE: 2338000 136.765 276.16 155.985 276.16 279.971 24.1716 155.985 24.1706 182.007 GPRESSURE: 2338000 135.344 244.478 166.76 174.939 402.09 84.4521 203.936 -59.6565 144.361 PRESSAVG: 2338000 20.8773 17.3289 82.6488 17.3289 4.95368 3.46648 82.6488 3.46638 -5.1027 GPRESSAVG: 2338000 19.132 18.3329 80.5296 18.1973 5.05721 1.52341 82.8746 6.16282 -3.45761 TIMING: 2338000 CPU: 7386.39, 0.00320771/step Wall: 7386.39, 0.00320771/step, 2.37192 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2338000 3904.0839 20571.5634 14342.2774 249.6595 -203484.9294 2732.9489 0.0000 0.0000 52362.2942 -109322.1021 300.9268 -161684.3962 -108954.8869 300.1622 199.5810 227.2651 759896.7411 6.9094 6.9105 PRESSURE: 2338200 -405.007 57.9096 -176.974 57.9091 -185.108 -48.9223 -176.973 -48.9225 -393.576 GPRESSURE: 2338200 -408.343 108.139 -34.3865 40.7849 -91.3676 -54.3512 -78.655 -108.383 -408.402 PRESSAVG: 2338200 -12.928 6.58929 55.6364 6.58926 -2.1279 7.31962 55.6363 7.31957 1.87398 GPRESSAVG: 2338200 -12.4335 9.85423 57.3325 6.56148 -2.17821 7.02747 55.7174 5.90894 1.25314 TIMING: 2338200 CPU: 7387.04, 0.00321877/step Wall: 7387.04, 0.00321877/step, 2.37992 hours remaining, 238.046875 MB of memory in use. ENERGY: 2338200 3950.5395 20679.2926 14352.5241 258.2325 -203064.0913 2116.9798 0.0000 0.0000 52374.3226 -109332.2002 300.9960 -161706.5228 -108965.4960 299.9170 -327.8968 -302.7043 762309.2611 -4.3940 -4.4529 PRESSURE: 2338400 -85.0902 -129.177 -92.9303 -129.177 -476.433 124.617 -92.9305 124.617 -238.356 GPRESSURE: 2338400 6.82995 -157.323 -208.937 -136.687 -356.305 146.113 -174.473 102.775 -362.12 PRESSAVG: 2338400 -13.6107 26.4195 -21.6296 26.4195 -19.5073 12.302 -21.6296 12.3021 -17.3738 GPRESSAVG: 2338400 -13.9099 23.0667 -20.7712 28.1989 -19.9502 14.232 -19.5668 11.1323 -16.8254 TIMING: 2338400 CPU: 7387.68, 0.00321639/step Wall: 7387.68, 0.00321639/step, 2.37799 hours remaining, 238.046875 MB of memory in use. ENERGY: 2338400 4027.1295 20606.8357 14361.2083 264.6947 -203222.9048 2272.8252 0.0000 0.0000 52346.0443 -109344.1672 300.8334 -161690.2115 -108976.2994 300.1375 -266.6264 -237.1984 760171.9930 -16.8306 -16.8952 PRESSURE: 2338600 78.9965 11.286 149.341 11.2855 114.275 178.853 149.342 178.853 242.086 GPRESSURE: 2338600 196.309 -10.7488 48.6881 54.8077 72.3732 240.006 -10.8783 168.078 250.217 PRESSAVG: 2338600 -0.954427 21.4429 -10.9685 21.443 11.6969 43.8643 -10.9685 43.8642 1.73771 GPRESSAVG: 2338600 -1.46644 21.1701 -11.3079 21.7706 13.4553 44.018 -11.4166 45.3486 0.79667 TIMING: 2338600 CPU: 7388.33, 0.00323045/step Wall: 7388.33, 0.00323045/step, 2.3882 hours remaining, 238.046875 MB of memory in use. ENERGY: 2338600 3965.7063 20674.9901 14403.3777 260.7527 -203333.8902 2527.0024 0.0000 0.0000 52042.3077 -109459.7535 299.0879 -161502.0611 -109093.5613 299.7543 145.1194 172.9663 760368.6577 4.1601 4.2618 PRESSURE: 2338800 235.155 -56.6155 113.308 -56.6157 202.625 17.1684 113.307 17.1673 22.94 GPRESSURE: 2338800 367.056 16.0064 93.6199 -33.5412 184.25 -10.2502 109.277 -17.198 -24.7675 PRESSAVG: 2338800 -5.3763 5.9855 -4.27625 5.9855 17.5607 -7.66974 -4.27626 -7.66983 -4.19983 GPRESSAVG: 2338800 -5.36232 4.59172 -5.48899 7.13466 15.8694 -10.0386 -5.93577 -7.47555 -2.53217 TIMING: 2338800 CPU: 7388.97, 0.0032172/step Wall: 7388.97, 0.0032172/step, 2.37822 hours remaining, 238.046875 MB of memory in use. ENERGY: 2338800 3934.2207 20601.8572 14429.6613 243.4880 -203095.0814 2479.0350 0.0000 0.0000 52054.7886 -109352.0306 299.1596 -161406.8193 -108985.6220 299.4248 153.5736 175.5126 759736.9781 2.6615 2.6583 PRESSURE: 2339000 -290.366 6.06001 118.671 6.06019 -284.366 186.967 118.672 186.968 -34.2026 GPRESSURE: 2339000 -348.065 -94.7519 89.5605 49.7572 -156.62 125.158 150.657 133.153 -11.9564 PRESSAVG: 2339000 -75.6028 12.2415 47.0116 12.2414 116.17 52.6734 47.0115 52.6734 12.6145 GPRESSAVG: 2339000 -75.8553 13.912 46.8907 12.1469 116.998 54.3324 47.8418 50.7163 11.716 TIMING: 2339000 CPU: 7389.61, 0.00322012/step Wall: 7389.61, 0.00322012/step, 2.38021 hours remaining, 238.046875 MB of memory in use. ENERGY: 2339000 3917.9875 20644.0870 14312.5770 270.4440 -202652.1469 2244.2153 0.0000 0.0000 51945.5298 -109317.3063 298.5317 -161262.8361 -108947.7539 299.3044 -202.9783 -172.2140 760410.7611 17.7271 17.6195 PRESSURE: 2339200 -222.586 63.1013 -83.7033 63.1016 -23.0149 168.979 -83.7027 168.979 -358.583 GPRESSURE: 2339200 -153.144 266.012 -30.6533 -22.6089 -40.3564 210.977 261.523 51.0105 -338.255 PRESSAVG: 2339200 -71.071 -30.3269 61.9221 -30.3269 44.2044 16.7108 61.9221 16.7108 -12.6157 GPRESSAVG: 2339200 -69.9399 -28.1054 61.2557 -32.8729 42.6006 17.937 65.778 17.9333 -13.0746 TIMING: 2339200 CPU: 7390.25, 0.00320051/step Wall: 7390.25, 0.00320051/step, 2.36553 hours remaining, 238.046875 MB of memory in use. ENERGY: 2339200 4011.8610 20535.6509 14390.0904 244.3426 -202990.2658 2343.0802 0.0000 0.0000 51982.7215 -109482.5192 298.7454 -161465.2407 -109118.7793 299.2071 -201.3946 -177.2517 760051.9033 -13.1607 -13.4713 PRESSURE: 2339400 -506.582 -245.17 -163.242 -245.168 -227.479 -47.9519 -163.241 -47.9508 -352.801 GPRESSURE: 2339400 -464.554 -230.633 -234.741 -274.277 -205.004 -43.6981 -196.264 -124.615 -333.026 PRESSAVG: 2339400 -71.5649 -1.87839 23.5146 -1.87842 30.8725 -21.6484 23.5146 -21.6484 -2.9215 GPRESSAVG: 2339400 -73.8558 -3.47711 24.3051 -1.5483 32.402 -22.0471 19.3312 -22.0459 -2.28937 TIMING: 2339400 CPU: 7390.9, 0.00320181/step Wall: 7390.9, 0.00320181/step, 2.36632 hours remaining, 238.046875 MB of memory in use. ENERGY: 2339400 3995.1407 20454.6208 14409.0188 249.8107 -203076.4305 2191.9495 0.0000 0.0000 52089.2855 -109686.6045 299.3578 -161775.8900 -109314.6942 298.1511 -362.2875 -334.1945 761899.0170 -14.5380 -14.5811 PRESSURE: 2339600 -109.584 -101.775 92.0692 -101.774 148.836 19.6616 92.0689 19.6625 -178.174 GPRESSURE: 2339600 -24.8607 -68.5174 61.8012 -114.328 142.368 64.1193 52.6901 78.6 -161.572 PRESSAVG: 2339600 -39.8974 34.7193 28.714 34.7193 19.4071 45.8358 28.714 45.8358 4.91566 GPRESSAVG: 2339600 -38.634 35.2669 28.7406 34.335 17.9959 45.6375 30.9737 45.6064 4.90485 TIMING: 2339600 CPU: 7391.54, 0.00321964/step Wall: 7391.54, 0.00321964/step, 2.37932 hours remaining, 238.046875 MB of memory in use. ENERGY: 2339600 3993.9219 20512.6869 14392.5088 251.5082 -203197.2717 2498.5221 0.0000 0.0000 52046.4286 -109501.6951 299.1115 -161548.1237 -109145.9385 298.7936 -46.3072 -14.6882 761605.3233 -5.1915 -5.2444 PRESSURE: 2339800 -447.67 139.951 51.7856 139.95 -7.09982 -15.9633 51.7854 -15.9624 -173.005 GPRESSURE: 2339800 -305.69 158.74 95.7434 63.6924 -43.2687 -14.0182 -209.687 -65.0324 -195.696 PRESSAVG: 2339800 8.41683 3.92507 24.2435 3.92508 8.47993 17.8651 24.2435 17.8651 14.1554 GPRESSAVG: 2339800 6.30407 0.818159 24.4125 4.81088 9.08543 18.2721 23.7601 18.7746 15.2011 TIMING: 2339800 CPU: 7392.18, 0.00320372/step Wall: 7392.18, 0.00320371/step, 2.36737 hours remaining, 238.046875 MB of memory in use. ENERGY: 2339800 3907.2435 20502.5008 14427.9796 242.1934 -202872.4417 2385.5119 0.0000 0.0000 52123.0514 -109283.9611 299.5519 -161407.0124 -108917.7295 299.1372 -209.2582 -181.5515 762052.3993 10.3507 10.1969 PRESSURE: 2340000 175.879 -130.504 145.347 -130.505 147.607 -28.4473 145.347 -28.4474 -534.259 GPRESSURE: 2340000 159.897 -32.362 73.8726 -77.2699 161.621 -105.503 171.426 50.973 -443.492 PRESSAVG: 2340000 -1.66999 -5.27224 -41.6803 -5.27226 32.8756 8.75028 -41.6803 8.75029 21.2113 GPRESSAVG: 2340000 -0.583569 -0.800358 -41.2077 -7.57514 32.8762 6.8434 -42.6168 9.6255 20.0937 TIMING: 2340000 CPU: 7392.82, 0.00320298/step Wall: 7392.82, 0.00320298/step, 2.36665 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2340000 3966.9646 20596.3430 14432.0352 248.3525 -203313.7265 2499.4533 0.0000 0.0000 52223.8210 -109346.7570 300.1310 -161570.5780 -108987.5747 299.6565 -70.2578 -40.6577 759638.1517 17.4723 17.4621 PRESSURE: 2340200 211.36 -195.382 -191.71 -195.384 -42.7172 -2.88476 -191.71 -2.88483 94.4051 GPRESSURE: 2340200 239.853 -155.387 -212.713 -145.085 50.2081 -18.0457 -77.4312 -75.3914 57.1858 PRESSAVG: 2340200 4.65699 -44.3788 -10.5912 -44.3788 1.42336 -2.05065 -10.5912 -2.05063 -18.4704 GPRESSAVG: 2340200 4.58568 -47.087 -10.4321 -43.2554 1.24055 -2.11756 -9.52703 -1.35061 -18.1147 TIMING: 2340200 CPU: 7393.46, 0.00322157/step Wall: 7393.46, 0.00322157/step, 2.3802 hours remaining, 238.046875 MB of memory in use. ENERGY: 2340200 3956.0585 20678.8614 14445.8990 258.3126 -202933.4040 2360.1507 0.0000 0.0000 51958.3212 -109275.8006 298.6052 -161234.1218 -108919.6557 299.6909 87.6826 115.7489 759800.8761 -4.1300 -4.0962 LDB: ============= START OF LOAD BALANCING ============== 7405.87 LDB: ============== END OF LOAD BALANCING =============== 7405.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7405.87 LDB: ============= START OF LOAD BALANCING ============== 7406.19 LDB: Largest compute 7058 load 0.035082 is 17.9% of average load 0.195942 LDB: Average compute 0.004395 is 2.2% of average load 0.195942 LDB: TIME 7406.2 LOAD: AVG 0.195942 MAX 0.217495 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 7406.2 LOAD: AVG 0.195942 MAX 0.217495 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 7406.2 LOAD: AVG 0.195942 MAX 0.217495 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 7406.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.2 PRESSURE: 2340400 -101.777 -119.749 -73.0186 -119.749 11.6232 -178.285 -73.0188 -178.285 -255.099 GPRESSURE: 2340400 -101.678 -145.4 2.53845 -58.9047 122.597 -258.591 -61.121 -166.936 -262.363 PRESSAVG: 2340400 -3.20926 -50.6569 -2.99057 -50.6568 -8.17518 38.9336 -2.99059 38.9337 4.03019 GPRESSAVG: 2340400 -3.41438 -48.943 -4.03168 -49.8734 -7.79793 39.567 -1.06197 37.2775 4.31955 TIMING: 2340400 CPU: 7394.12, 0.00328762/step Wall: 7394.12, 0.00328762/step, 2.42882 hours remaining, 238.921875 MB of memory in use. ENERGY: 2340400 3940.9941 20572.4752 14417.0300 248.6200 -202713.8049 2169.2141 0.0000 0.0000 52173.3781 -109192.0934 299.8411 -161365.4715 -108830.5732 299.5862 -115.0842 -80.4815 760923.5542 -2.4514 -2.2976 PRESSURE: 2340600 101.743 13.5314 87.0189 13.5319 31.8198 97.5534 87.0192 97.5531 33.8808 GPRESSURE: 2340600 186.596 -54.6852 73.6609 -41.9952 58.671 117.809 170.873 52.3716 26.5521 PRESSAVG: 2340600 -17.7574 -15.7167 10.9297 -15.7167 49.1369 31.778 10.9296 31.7779 23.6153 GPRESSAVG: 2340600 -17.6762 -16.1778 11.1552 -15.2451 49.5551 31.2056 8.61555 32.3852 23.8078 TIMING: 2340600 CPU: 7394.77, 0.00322092/step Wall: 7394.77, 0.00322092/step, 2.37937 hours remaining, 239.125000 MB of memory in use. ENERGY: 2340600 3949.1389 20421.9058 14393.6098 238.9439 -202875.6186 2568.4082 0.0000 0.0000 51951.3075 -109352.3046 298.5649 -161303.6121 -108989.1587 298.9187 55.8145 90.6062 759243.5485 18.3316 18.5622 PRESSURE: 2340800 503.044 201.607 -156.04 201.606 193.024 -72.9996 -156.04 -72.9995 177.512 GPRESSURE: 2340800 475.426 84.5365 -167.004 237.784 263.307 -73.0628 -146.26 -19.1487 213.612 PRESSAVG: 2340800 -26.8811 26.9009 -20.3966 26.901 40.7453 70.7516 -20.3966 70.7516 3.43777 GPRESSAVG: 2340800 -26.3348 25.6112 -20.4575 25.6272 41.1335 71.54 -18.5913 72.4274 2.12826 TIMING: 2340800 CPU: 7395.41, 0.00322647/step Wall: 7395.41, 0.00322647/step, 2.38329 hours remaining, 239.125000 MB of memory in use. ENERGY: 2340800 3936.3018 20364.5223 14446.6733 244.3972 -202985.2764 2632.9367 0.0000 0.0000 52020.7952 -109339.6499 298.9642 -161360.4452 -108975.1519 299.3534 291.1932 317.4487 760724.7686 5.7673 5.6423 PRESSURE: 2341000 -287.822 -62.426 138.674 -62.426 -97.1112 91.0474 138.674 91.0472 26.2558 GPRESSURE: 2341000 -132.867 -31.4671 126.85 -12.4282 -158.399 63.0767 146.259 20.998 8.38937 PRESSAVG: 2341000 -30.8799 -46.8072 -50.1198 -46.8072 54.7311 34.5159 -50.1197 34.5158 -4.27466 GPRESSAVG: 2341000 -31.3504 -48.0304 -49.4838 -46.2397 53.7385 37.3155 -52.8238 32.1337 -3.00618 TIMING: 2341000 CPU: 7396.07, 0.00326779/step Wall: 7396.07, 0.0032678/step, 2.41363 hours remaining, 239.125000 MB of memory in use. ENERGY: 2341000 3895.6382 20681.8786 14400.6282 232.4349 -202795.2172 2228.3541 0.0000 0.0000 51994.7699 -109361.5133 298.8147 -161356.2832 -109012.1504 299.1811 -119.5590 -94.2921 761342.7731 6.5255 6.4606 PRESSURE: 2341200 186.01 14.234 -19.8001 14.2336 -78.7096 139.805 -19.7997 139.804 -103.788 GPRESSURE: 2341200 165.056 35.2064 7.62426 90.2532 14.3756 185.037 -34.09 235.548 -82.0992 PRESSAVG: 2341200 -53.2131 -23.3966 -8.5754 -23.3966 69.816 33.1263 -8.57538 33.1263 -20.3469 GPRESSAVG: 2341200 -54.0429 -22.4412 -9.50513 -21.9051 70.8232 29.1228 -6.06008 34.9776 -20.8232 TIMING: 2341200 CPU: 7396.71, 0.00322562/step Wall: 7396.71, 0.00322562/step, 2.3823 hours remaining, 239.125000 MB of memory in use. ENERGY: 2341200 4112.9055 20562.7580 14379.5226 243.7645 -203326.7666 2607.9850 0.0000 0.0000 51992.5151 -109427.3159 298.8017 -161419.8310 -109063.3483 299.7600 1.1709 32.4442 760370.2960 -1.2480 -1.3476 PRESSURE: 2341400 -311.185 165.101 -18.2309 165.1 -68.6637 -217.63 -18.2304 -217.63 -16.9385 GPRESSURE: 2341400 -296.086 192.586 -45.5154 157.455 -75.751 -227.518 -57.6203 -153.81 58.4145 PRESSAVG: 2341400 -16.713 40.6851 -50.1816 40.6851 9.79286 7.7113 -50.1816 7.71133 -7.38001 GPRESSAVG: 2341400 -16.9313 40.0531 -49.8682 39.4594 9.03448 7.78526 -50.7951 7.26516 -6.74543 TIMING: 2341400 CPU: 7397.35, 0.0032062/step Wall: 7397.35, 0.0032062/step, 2.36778 hours remaining, 239.125000 MB of memory in use. ENERGY: 2341400 3945.7512 20413.2624 14419.9320 249.2529 -202984.5986 2437.1163 0.0000 0.0000 51903.6864 -109615.5973 298.2912 -161519.2837 -109253.0318 299.3204 -132.2625 -104.4743 761809.4994 -4.7667 -4.8807 PRESSURE: 2341600 131.598 -51.9479 -111.419 -51.9477 18.7562 -384.994 -111.418 -384.994 319.066 GPRESSURE: 2341600 109.244 -92.0134 -76.5497 35.2043 44.5723 -346.088 -144.914 -318.633 394.023 PRESSAVG: 2341600 -41.8684 -11.8076 -21.7848 -11.8076 15.4131 -27.2778 -21.7848 -27.2777 1.83815 GPRESSAVG: 2341600 -42.3822 -12.9409 -21.252 -10.1797 15.3394 -25.4952 -21.7745 -27.6787 2.85275 TIMING: 2341600 CPU: 7397.99, 0.00321645/step Wall: 7397.99, 0.00321645/step, 2.37517 hours remaining, 239.125000 MB of memory in use. ENERGY: 2341600 3900.0322 20488.6339 14463.5544 227.2886 -203030.2750 2549.3871 0.0000 0.0000 51851.3967 -109549.9820 297.9907 -161401.3788 -109191.4310 299.0555 156.4735 182.6133 761612.3241 -8.2057 -8.0633 PRESSURE: 2341800 23.1695 194.774 -20.6707 194.773 49.6953 -20.1585 -20.6705 -20.1592 -518.373 GPRESSURE: 2341800 139.443 215.542 14.4524 184.441 -29.4263 -49.5816 -186.448 15.3917 -471.572 PRESSAVG: 2341800 -62.2272 23.2335 26.2133 23.2334 42.3368 34.95 26.2133 34.95 2.72729 GPRESSAVG: 2341800 -61.8047 24.8803 26.1837 21.537 42.0563 34.5878 24.761 36.8855 1.97797 TIMING: 2341800 CPU: 7398.63, 0.00318967/step Wall: 7398.63, 0.00318967/step, 2.35522 hours remaining, 239.125000 MB of memory in use. ENERGY: 2341800 4037.7954 20197.7836 14450.5505 253.6277 -203228.0164 2440.6066 0.0000 0.0000 52307.9267 -109539.7259 300.6144 -161847.6526 -109178.4839 299.1434 -148.5029 -120.5182 761576.2142 -5.7210 -5.9235 PRESSURE: 2342000 -114.533 96.5756 87.0723 96.5749 63.1854 84.0686 87.072 84.0676 192.105 GPRESSURE: 2342000 -40.1843 66.0893 130.75 118.755 66.0413 54.1338 29.963 112.184 190.728 PRESSAVG: 2342000 -23.2252 -26.4852 28.5076 -26.4852 45.0399 -28.1094 28.5076 -28.1093 -5.82376 GPRESSAVG: 2342000 -22.6303 -25.8316 28.4704 -26.0076 44.8502 -27.6913 29.5666 -29.4396 -6.09407 TIMING: 2342000 CPU: 7399.27, 0.00319669/step Wall: 7399.27, 0.00319669/step, 2.36023 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2342000 3898.3265 20699.7982 14413.3808 242.6617 -202995.7631 2117.6697 0.0000 0.0000 52063.6947 -109560.2315 299.2108 -161623.9262 -109195.2904 298.9049 46.9192 72.1950 761768.0298 5.3303 5.3753 PRESSURE: 2342200 -103.693 -60.2473 -53.0314 -60.2475 351.481 -138.353 -53.0319 -138.354 5.10514 GPRESSURE: 2342200 -126.991 51.7762 -101.44 -156.211 405.949 -102.309 -19.9894 -54.3353 78.6214 PRESSAVG: 2342200 -34.7674 -10.2527 -1.25431 -10.2526 68.7577 -6.25278 -1.25431 -6.25285 12.0961 GPRESSAVG: 2342200 -35.2319 -10.8939 -0.560121 -10.1354 69.5014 -4.9673 -2.27712 -7.84488 12.1085 TIMING: 2342200 CPU: 7399.92, 0.00322168/step Wall: 7399.92, 0.00322168/step, 2.37849 hours remaining, 239.125000 MB of memory in use. ENERGY: 2342200 3958.8729 20561.8296 14528.8027 250.1552 -203332.2914 2612.9756 0.0000 0.0000 51876.2292 -109543.4261 298.1334 -161419.6554 -109180.0102 299.3030 84.2977 119.1933 760839.2455 15.3622 15.4594 PRESSURE: 2342400 81.2816 2.61946 67.9002 2.6191 -147.905 130.178 67.9017 130.179 255.745 GPRESSURE: 2342400 76.0983 -46.5725 142.527 28.8954 -27.4854 109.629 114.524 162.037 206.732 PRESSAVG: 2342400 -32.5006 -30.9185 50.0325 -30.9184 76.5187 -29.8423 50.0325 -29.8423 -7.8119 GPRESSAVG: 2342400 -32.4379 -29.6661 50.2089 -31.2382 76.9518 -31.7511 52.1582 -27.5799 -8.20771 TIMING: 2342400 CPU: 7400.56, 0.00322024/step Wall: 7400.56, 0.00322024/step, 2.37725 hours remaining, 239.125000 MB of memory in use. ENERGY: 2342400 3872.9905 20602.2012 14501.3473 239.0664 -203458.3980 2536.8310 0.0000 0.0000 51913.9321 -109792.0295 298.3501 -161705.9617 -109426.6643 298.6354 63.0404 85.1148 760477.9515 12.0687 12.1021 PRESSURE: 2342600 -319.132 -302.061 -131.933 -302.06 -14.2759 -250.729 -131.932 -250.727 -354.391 GPRESSURE: 2342600 -318.89 -141.435 -179.771 -186.854 -27.6194 -171.195 -32.6568 -123.459 -256.876 PRESSAVG: 2342600 -45.1515 -60.5528 72.0619 -60.5529 31.4386 -74.7505 72.0619 -74.7505 3.42509 GPRESSAVG: 2342600 -43.0748 -60.0753 71.0591 -60.035 28.7921 -74.1925 72.3482 -75.9155 3.69667 TIMING: 2342600 CPU: 7401.21, 0.00323306/step Wall: 7401.21, 0.00323306/step, 2.38654 hours remaining, 239.125000 MB of memory in use. ENERGY: 2342600 4009.3434 20315.2369 14462.4864 243.2520 -203457.4497 2521.0738 0.0000 0.0000 52037.2689 -109868.7884 299.0589 -161906.0572 -109512.0926 298.9188 -229.2662 -201.1284 762073.8012 -3.4293 -3.5287 PRESSURE: 2342800 133.188 -216.307 -15.3945 -216.307 130.154 55.0764 -15.3951 55.0766 161.918 GPRESSURE: 2342800 108.911 -188.271 -25.9709 -237.313 254.603 56.5023 2.14713 56.2797 134.957 PRESSAVG: 2342800 5.40686 -47.8147 84.0169 -47.8147 -9.589 -27.0205 84.017 -27.0204 -14.0495 GPRESSAVG: 2342800 2.74122 -47.2543 84.8942 -47.3144 -8.07417 -27.7604 83.9513 -26.6809 -12.5991 TIMING: 2342800 CPU: 7401.85, 0.00323759/step Wall: 7401.85, 0.00323759/step, 2.3897 hours remaining, 239.125000 MB of memory in use. ENERGY: 2342800 3994.2778 20478.3531 14481.6444 250.3637 -203502.3390 2603.5848 0.0000 0.0000 51723.6257 -109970.4895 297.2564 -161694.1152 -109614.6970 298.5838 141.7532 166.1573 760816.7864 -6.0772 -5.9774 PRESSURE: 2343000 -6.61726 -85.9402 -109.222 -85.9397 119.199 -69.1449 -109.223 -69.1453 -33.182 GPRESSURE: 2343000 -8.10786 25.2339 -79.7321 -83.0921 133.781 49.1703 -27.5494 -77.4354 13.0934 PRESSAVG: 2343000 66.4992 15.6404 31.3682 15.6404 0.787961 -32.4546 31.3681 -32.4545 20.0039 GPRESSAVG: 2343000 67.3851 14.8589 30.5041 15.3167 0.772399 -32.7108 30.8643 -32.4985 18.9765 TIMING: 2343000 CPU: 7402.5, 0.00324063/step Wall: 7402.5, 0.00324063/step, 2.39176 hours remaining, 239.125000 MB of memory in use. ENERGY: 2343000 4029.7924 20549.2991 14448.2856 249.7120 -203478.9143 2615.1527 0.0000 0.0000 51827.4688 -109759.2037 297.8532 -161586.6725 -109399.6901 298.9480 26.4667 46.2557 761247.9463 29.0970 29.0447 PRESSURE: 2343200 391.145 -53.6838 250.189 -53.6841 224.079 -131.648 250.19 -131.647 -40.146 GPRESSURE: 2343200 441.036 53.4839 305.494 -44.6748 252.968 -106.081 320.189 -263.934 -24.565 PRESSAVG: 2343200 -21.149 79.0072 38.3741 79.0073 -18.9537 -12.358 38.3742 -12.3579 8.96209 GPRESSAVG: 2343200 -21.1061 78.1417 38.2084 80.105 -18.3196 -13.4357 37.1322 -11.6837 8.43109 TIMING: 2343200 CPU: 7403.14, 0.0032102/step Wall: 7403.14, 0.0032102/step, 2.36913 hours remaining, 239.125000 MB of memory in use. ENERGY: 2343200 4012.1012 20400.6419 14487.6681 245.5509 -203765.5868 2594.8152 0.0000 0.0000 52405.5358 -109619.2737 301.1753 -162024.8095 -109250.7405 299.2212 191.6927 223.1464 760193.9940 -10.3802 -10.3316 PRESSURE: 2343400 8.05882 9.60532 -113.935 9.6062 25.7991 117.889 -113.936 117.889 84.5579 GPRESSURE: 2343400 16.3413 -0.877609 -69.0877 64.3454 42.285 26.644 -62.9677 41.9433 156.563 PRESSAVG: 2343400 40.8692 8.6939 23.8328 8.69386 -18.6298 -4.42829 23.8329 -4.42828 -14.0026 GPRESSAVG: 2343400 41.4169 8.25063 24.3043 6.89602 -19.3524 -1.06508 24.4095 -6.82449 -13.7453 TIMING: 2343400 CPU: 7403.79, 0.00320624/step Wall: 7403.79, 0.00320624/step, 2.36603 hours remaining, 239.125000 MB of memory in use. ENERGY: 2343400 3881.4374 20534.8863 14384.0820 245.5754 -203566.5118 2606.9399 0.0000 0.0000 52370.0437 -109543.5471 300.9714 -161913.5909 -109170.0627 299.7010 39.4719 71.7297 760398.2756 2.7456 2.7731 PRESSURE: 2343600 -327.575 -310.435 58.0016 -310.436 -294.137 78.7047 58.0007 78.7054 187.46 GPRESSURE: 2343600 -277.576 -231.379 62.4272 -139.831 -183.481 12.5661 28.787 68.291 109.058 PRESSAVG: 2343600 7.23813 -30.2791 10.5136 -30.279 -10.5938 23.4774 10.5136 23.4773 7.40635 GPRESSAVG: 2343600 8.35837 -31.5916 9.4283 -27.0626 -11.0348 21.7063 12.0837 23.7879 7.23577 TIMING: 2343600 CPU: 7404.43, 0.00321589/step Wall: 7404.43, 0.00321589/step, 2.37297 hours remaining, 239.125000 MB of memory in use. ENERGY: 2343600 4012.8062 20645.9161 14420.3273 235.9228 -203488.8627 2662.8615 0.0000 0.0000 52074.9553 -109436.0736 299.2755 -161511.0289 -109083.1977 299.7474 -144.7508 -117.3328 761549.2230 1.3502 1.5198 PRESSURE: 2343800 208.982 -169.289 -289.914 -169.288 171.575 -132.545 -289.914 -132.545 304.208 GPRESSURE: 2343800 259.087 -119.145 -318.432 -193.508 150.395 -106.911 -225.923 -159.898 364.528 PRESSAVG: 2343800 -26.1226 -5.24604 -31.2399 -5.24597 -37.8762 61.7102 -31.2398 61.7102 -6.98017 GPRESSAVG: 2343800 -26.8439 -3.71351 -31.0435 -8.45448 -37.0498 63.2101 -31.9515 61.2446 -6.7351 TIMING: 2343800 CPU: 7405.07, 0.00322135/step Wall: 7405.07, 0.00322135/step, 2.37682 hours remaining, 239.125000 MB of memory in use. ENERGY: 2343800 3936.4261 20497.9211 14418.0508 240.3480 -203276.3437 2573.3635 0.0000 0.0000 52023.6439 -109586.5903 298.9806 -161610.2342 -109227.1537 299.3980 228.2550 258.0035 762294.9767 -23.6597 -23.5429 PRESSURE: 2344000 162.457 284.174 -49.0956 284.174 149.555 -23.6737 -49.096 -23.6734 9.63258 GPRESSURE: 2344000 254.35 331.005 -116.048 322.805 177.173 -84.4545 -33.5512 -9.07817 -22.4396 PRESSAVG: 2344000 26.3823 -4.58685 -13.2614 -4.5869 -32.6393 -8.05359 -13.2614 -8.05367 -17.8231 GPRESSAVG: 2344000 27.2869 -4.49758 -12.0859 -2.24406 -33.1702 -9.98623 -14.9387 -6.87921 -17.5923 TIMING: 2344000 CPU: 7405.72, 0.00321749/step Wall: 7405.72, 0.00321749/step, 2.37379 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2344000 3972.0103 20728.6662 14437.2448 249.7844 -203730.2288 2713.1180 0.0000 0.0000 52356.8493 -109272.5557 300.8955 -161629.4050 -108902.2599 299.6087 107.2147 136.3612 759985.2605 -8.0267 -7.8252 PRESSURE: 2344200 -327.966 10.6105 -21.6603 10.6096 -207.893 61.5528 -21.6603 61.5534 31.1136 GPRESSURE: 2344200 -266.592 6.87356 -6.71081 -15.7117 -71.3259 116.003 -60.5971 185.605 -79.6491 PRESSAVG: 2344200 -21.9772 29.0449 48.2739 29.0449 47.7863 43.4135 48.2739 43.4135 -21.32 GPRESSAVG: 2344200 -21.4386 30.7861 47.8521 27.6351 48.37 44.0979 46.5228 42.5124 -22.4756 TIMING: 2344200 CPU: 7406.36, 0.00320353/step Wall: 7406.36, 0.00320353/step, 2.36332 hours remaining, 239.125000 MB of memory in use. ENERGY: 2344200 3957.8743 20512.9418 14477.7148 220.8760 -203299.7584 2348.2419 0.0000 0.0000 52565.4611 -109216.6485 302.0944 -161782.1096 -108843.1796 299.8060 -168.2486 -139.1891 761084.9946 1.4963 1.4853 LDB: ============= START OF LOAD BALANCING ============== 7418.76 LDB: ============== END OF LOAD BALANCING =============== 7418.76 LDB: =============== DONE WITH MIGRATION ================ 7418.77 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 7419.09 LDB: Largest compute 7033 load 0.035504 is 18.1% of average load 0.195961 LDB: Average compute 0.004408 is 2.2% of average load 0.195961 LDB: TIME 7419.09 LOAD: AVG 0.195961 MAX 0.21673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 7419.09 LOAD: AVG 0.195961 MAX 0.21673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.734 MB LDB: TIME 7419.09 LOAD: AVG 0.195961 MAX 0.21673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.734 MB LDB: ============== END OF LOAD BALANCING =============== 7419.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7419.1 PRESSURE: 2344400 -52.3646 2.69536 115.503 2.69475 -172.75 49.7103 115.502 49.7095 -332.517 GPRESSURE: 2344400 -66.9016 64.6719 79.8164 -119.042 -92.183 -2.50461 -11.839 -46.3687 -326.14 PRESSAVG: 2344400 -74.8476 -4.97688 -5.09908 -4.97696 56.1542 -15.4642 -5.09907 -15.4642 -11.4675 GPRESSAVG: 2344400 -75.3311 -7.40082 -5.71621 -4.69225 56.4162 -16.0501 -1.74567 -14.8001 -11.0836 TIMING: 2344400 CPU: 7407.02, 0.0032888/step Wall: 7407.02, 0.0032888/step, 2.42604 hours remaining, 239.695312 MB of memory in use. ENERGY: 2344400 3946.9817 20474.1442 14479.4266 247.6766 -203029.1641 2398.8940 0.0000 0.0000 52172.5921 -109309.4490 299.8366 -161482.0411 -108952.4403 299.8044 -185.8771 -161.7416 761924.2139 -10.0537 -9.9995 PRESSURE: 2344600 -238.117 -16.1311 1.6903 -16.1312 -79.1027 107.461 1.69112 107.461 -23.2223 GPRESSURE: 2344600 -197.344 -30.6516 -16.2865 4.5788 -48.7229 78.1879 -56.0101 119.329 -24.8276 PRESSAVG: 2344600 0.242138 13.157 23.3253 13.157 14.2349 -25.6083 23.3253 -25.6084 3.1409 GPRESSAVG: 2344600 -1.27759 14.1255 23.3133 14.0046 14.6472 -26.1421 23.3566 -25.4857 3.98907 TIMING: 2344600 CPU: 7407.66, 0.00322411/step Wall: 7407.66, 0.00322411/step, 2.37814 hours remaining, 239.839844 MB of memory in use. ENERGY: 2344600 4082.6538 20482.2249 14513.6373 255.2387 -203103.8873 2328.4156 0.0000 0.0000 52206.7319 -109234.9852 300.0328 -161441.7171 -108879.0464 300.3145 -113.4808 -90.2982 759968.5238 5.8727 5.7862 PRESSURE: 2344800 179.483 0.612046 91.0268 0.611438 -214.995 -210.137 91.0264 -210.138 -40.2986 GPRESSURE: 2344800 173.167 42.7606 185.96 -7.67428 -148.399 -244.498 68.5143 -155.055 -28.8484 PRESSAVG: 2344800 42.9696 8.9696 -19.4138 8.96957 -11.1721 -16.2129 -19.4138 -16.2128 1.71459 GPRESSAVG: 2344800 43.7473 10.3921 -21.121 7.93486 -12.5795 -14.2972 -19.3033 -17.371 2.20774 TIMING: 2344800 CPU: 7408.31, 0.00324682/step Wall: 7408.31, 0.00324682/step, 2.39471 hours remaining, 239.839844 MB of memory in use. ENERGY: 2344800 4021.4105 20643.8951 14461.6941 245.1609 -203364.0158 2633.9206 0.0000 0.0000 52113.3449 -109244.5898 299.4961 -161357.9347 -108884.1619 300.0716 -25.2699 -1.3599 761151.9403 11.1707 11.1252 PRESSURE: 2345000 -109.373 -161.844 172.838 -161.843 -84.781 47.3011 172.84 47.3018 -235.47 GPRESSURE: 2345000 -46.6653 -255.706 117.227 -290.894 -61.7133 -58.677 203.896 16.5998 -240.977 PRESSAVG: 2345000 18.0575 -1.6214 24.2148 -1.62146 0.593165 31.7076 24.2148 31.7076 24.3991 GPRESSAVG: 2345000 17.7415 -2.90628 25.8615 -1.35673 1.33233 30.2088 23.8566 32.6905 23.5643 TIMING: 2345000 CPU: 7408.96, 0.00323226/step Wall: 7408.96, 0.00323226/step, 2.38379 hours remaining, 239.839844 MB of memory in use. ENERGY: 2345000 3959.6561 20743.5357 14480.7719 223.2728 -203270.1366 2394.0878 0.0000 0.0000 52072.2146 -109396.5977 299.2597 -161468.8123 -109033.6011 299.7350 -143.2080 -116.4520 762204.1354 14.3499 14.2127 PRESSURE: 2345200 28.837 50.8034 -60.0152 50.8037 44.111 -119.148 -60.0156 -119.148 269.364 GPRESSURE: 2345200 46.9294 154.138 -62.8249 89.7665 135.41 -48.9627 37.7647 -99.2154 235.486 PRESSAVG: 2345200 -19.0098 18.8318 -5.90076 18.8318 15.6501 12.7423 -5.90081 12.7422 -14.3693 GPRESSAVG: 2345200 -18.7534 17.8543 -5.25313 19.0629 15.7811 13.637 -6.41312 13.3404 -14.3796 TIMING: 2345200 CPU: 7409.6, 0.00322158/step Wall: 7409.6, 0.00322158/step, 2.37574 hours remaining, 239.839844 MB of memory in use. ENERGY: 2345200 4052.9529 20607.9872 14523.4774 248.8735 -203394.3165 2664.2717 0.0000 0.0000 51937.6297 -109359.1240 298.4863 -161296.7538 -108998.7529 299.7742 114.1042 139.2751 760994.7847 -5.9097 -5.7840 PRESSURE: 2345400 99.8991 110.729 198.719 110.729 -258.34 -220.834 198.718 -220.833 131.236 GPRESSURE: 2345400 110.16 125.835 225.519 111.152 -126.849 -330.414 246.15 -137.792 77.1824 PRESSAVG: 2345400 24.0058 27.8821 -56.9106 27.882 -13.258 -15.2538 -56.9105 -15.2538 -38.6974 GPRESSAVG: 2345400 24.0579 29.0992 -58.8594 30.3026 -12.7356 -15.3499 -57.3588 -16.689 -39.2013 TIMING: 2345400 CPU: 7410.24, 0.00321428/step Wall: 7410.24, 0.00321428/step, 2.37018 hours remaining, 239.839844 MB of memory in use. ENERGY: 2345400 3966.6636 20545.2517 14458.4929 254.7178 -203100.6986 2501.2035 0.0000 0.0000 52028.9938 -109345.3752 299.0113 -161374.3690 -108982.2452 299.4164 -9.0681 20.1646 762628.7421 -9.3165 -9.2930 PRESSURE: 2345600 -159.989 65.0406 -56.1685 65.0404 -176.943 209.607 -56.1684 209.607 -129.236 GPRESSURE: 2345600 -79.2893 57.5625 -145.337 40.9494 -183.402 176.753 137.851 111.583 -112.223 PRESSAVG: 2345600 -34.7614 33.7573 17.3801 33.7573 7.52956 41.4595 17.38 41.4596 14.2758 GPRESSAVG: 2345600 -33.572 34.8842 18.2115 32.9082 6.17174 40.0063 18.0445 39.8824 13.6851 TIMING: 2345600 CPU: 7410.89, 0.00322508/step Wall: 7410.89, 0.00322508/step, 2.37796 hours remaining, 239.839844 MB of memory in use. ENERGY: 2345600 3976.4947 20687.7799 14427.6129 255.3108 -202814.4267 2165.3773 0.0000 0.0000 52225.2557 -109076.5954 300.1393 -161301.8511 -108726.3634 299.6256 -155.3894 -124.9715 761558.2497 -4.3187 -4.5717 PRESSURE: 2345800 -283.991 144.302 -191.167 144.302 -238.331 87.5218 -191.167 87.5229 -588.681 GPRESSURE: 2345800 -281.098 150.682 -185.47 12.8625 -278.56 252.046 -72.3676 242.708 -463.633 PRESSAVG: 2345800 -16.9211 43.5867 5.96736 43.5867 3.8057 10.5593 5.96736 10.5592 -0.413156 GPRESSAVG: 2345800 -17.9081 41.6915 4.0777 41.1868 3.78095 11.6098 7.47485 11.2731 0.673977 TIMING: 2345800 CPU: 7411.53, 0.003227/step Wall: 7411.53, 0.003227/step, 2.3792 hours remaining, 239.839844 MB of memory in use. ENERGY: 2345800 3915.6938 20559.3998 14455.1804 255.7266 -203188.4123 2446.1858 0.0000 0.0000 52302.2651 -109253.9608 300.5818 -161556.2259 -108885.9529 300.1801 -370.3342 -341.0971 762730.4970 -4.5095 -4.4844 PRESSURE: 2346000 135.373 2.0933 -149.003 2.09321 -150.614 -157.895 -149.002 -157.896 55.9632 GPRESSURE: 2346000 130.126 -7.75679 -170.534 -91.1358 -77.5483 -199.93 -100.414 -202.224 69.2188 PRESSAVG: 2346000 32.8528 62.0204 -22.2641 62.0203 -7.10255 26.6621 -22.2641 26.6621 -2.65242 GPRESSAVG: 2346000 31.8549 63.5155 -19.1672 61.5111 -6.30203 25.6442 -24.3773 30.4414 -2.70561 TIMING: 2346000 CPU: 7412.18, 0.00321969/step Wall: 7412.18, 0.00321969/step, 2.37363 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2346000 4095.6662 20480.7626 14522.4681 255.2187 -203629.6960 2793.2148 0.0000 0.0000 52083.8551 -109398.5106 299.3266 -161482.3656 -109032.9411 300.1484 13.5739 40.5990 761725.1177 7.6993 7.6157 PRESSURE: 2346200 179.551 -92.7925 91.9754 -92.7926 115.577 -77.7227 91.9749 -77.723 162.325 GPRESSURE: 2346200 242.151 -84.9799 89.2762 -54.7946 108.616 -109.535 46.9861 -179.168 197.675 PRESSAVG: 2346200 -29.0148 7.09307 26.7611 7.0931 52.1313 43.8026 26.7611 43.8026 -2.96986 GPRESSAVG: 2346200 -28.1475 5.5907 26.3944 9.85781 51.0236 44.5059 26.1597 38.3843 -2.59739 TIMING: 2346200 CPU: 7412.82, 0.0032324/step Wall: 7412.82, 0.0032324/step, 2.38282 hours remaining, 239.839844 MB of memory in use. ENERGY: 2346200 4036.4053 20644.7190 14409.0506 267.5466 -203802.0221 2808.4044 0.0000 0.0000 51984.5190 -109651.3773 298.7557 -161635.8963 -109297.3231 299.5344 152.4844 182.8138 760544.4065 6.7156 6.7596 PRESSURE: 2346400 -63.739 168.868 -23.0695 168.868 -70.6646 118.242 -23.069 118.241 -43.9241 GPRESSURE: 2346400 -51.5718 67.2241 49.5231 171.422 30.8576 67.7501 1.70558 70.3191 -65.7806 PRESSAVG: 2346400 26.0307 -44.1913 -31.8621 -44.1913 -5.35643 39.3846 -31.8621 39.3846 21.3989 GPRESSAVG: 2346400 26.527 -43.2825 -32.5589 -44.7962 -4.91412 38.7079 -30.8966 40.3403 20.6546 TIMING: 2346400 CPU: 7413.47, 0.00323727/step Wall: 7413.47, 0.00323727/step, 2.38623 hours remaining, 239.839844 MB of memory in use. ENERGY: 2346400 3919.7860 20492.9038 14434.5163 235.0791 -203260.0722 2484.8000 0.0000 0.0000 52213.1072 -109479.8798 300.0694 -161692.9870 -109116.7365 299.1607 -59.4426 -28.8316 759069.4774 14.0244 14.0891 PRESSURE: 2346600 321.713 -185.881 61.8481 -185.88 -255.367 -64.5645 61.8485 -64.5641 -14.5375 GPRESSURE: 2346600 235.848 -138.72 14.5807 -176.474 -107.015 11.815 -42.8463 3.30885 26.9736 PRESSAVG: 2346600 21.941 25.8125 58.6484 25.8125 -29.9707 -5.34989 58.6485 -5.34991 -9.45796 GPRESSAVG: 2346600 20.9513 25.7364 59.8212 24.5648 -29.5968 -4.31686 59.102 -3.82082 -9.32427 TIMING: 2346600 CPU: 7414.12, 0.00322643/step Wall: 7414.12, 0.00322643/step, 2.37806 hours remaining, 239.839844 MB of memory in use. ENERGY: 2346600 3972.3110 20330.9385 14460.1767 258.1623 -203487.9932 2505.7956 0.0000 0.0000 52258.2090 -109702.4000 300.3286 -161960.6091 -109344.3367 299.3928 17.2693 51.9356 760516.9080 -5.8292 -5.9899 PRESSURE: 2346800 274.258 -58.0843 -98.9819 -58.084 -4.11739 -170.532 -98.9824 -170.532 -140.328 GPRESSURE: 2346800 352.461 -53.4953 -88.2868 -54.1385 24.7786 -249.984 -81.3936 -153.264 -157.944 PRESSAVG: 2346800 15.5502 -3.62331 -21.9984 -3.62335 -1.51715 29.301 -21.9984 29.301 -17.962 GPRESSAVG: 2346800 16.2521 -3.42721 -23.0192 -4.13587 -2.29345 29.1421 -23.0285 28.921 -17.9142 TIMING: 2346800 CPU: 7414.76, 0.00320585/step Wall: 7414.76, 0.00320585/step, 2.36271 hours remaining, 239.839844 MB of memory in use. ENERGY: 2346800 4005.0416 20272.0606 14462.6010 264.2090 -203504.9820 2539.6737 0.0000 0.0000 52253.8150 -109707.5811 300.3034 -161961.3960 -109342.8495 299.5402 43.2710 73.0987 761440.1991 -1.3096 -1.3185 PRESSURE: 2347000 297.868 -159.002 135.438 -159.003 301.474 235.172 135.438 235.172 314.933 GPRESSURE: 2347000 257.175 -120.106 98.5881 -103.8 324.815 297.245 153.973 231.813 376.694 PRESSAVG: 2347000 -23.7174 20.3632 -20.7929 20.3632 30.2236 -9.58803 -20.7928 -9.58799 26.4216 GPRESSAVG: 2347000 -23.9668 21.0237 -19.1839 21.0538 30.8854 -10.3783 -18.9616 -7.98194 25.6331 TIMING: 2347000 CPU: 7415.4, 0.00322473/step Wall: 7415.4, 0.00322473/step, 2.37644 hours remaining, 239.839844 MB of memory in use. ENERGY: 2347000 3896.6901 20423.3421 14403.8009 258.4229 -203292.2842 2745.1447 0.0000 0.0000 51981.3902 -109583.4933 298.7378 -161564.8834 -109218.3218 298.9816 304.7584 319.5613 762483.7566 10.9759 10.8505 PRESSURE: 2347200 -200.155 -111.016 33.8953 -111.016 152.475 81.0732 33.8959 81.0721 146.354 GPRESSURE: 2347200 -100.435 -98.5853 34.9914 -20.7368 131.989 33.7147 -2.84541 -44.8377 150.062 PRESSAVG: 2347200 22.3494 34.6498 34.8405 34.6497 -12.5393 6.77442 34.8405 6.7744 4.94476 GPRESSAVG: 2347200 22.6746 32.3321 33.4286 36.0506 -12.9949 6.51317 35.0016 5.73485 5.16606 TIMING: 2347200 CPU: 7416.05, 0.00324792/step Wall: 7416.05, 0.00324792/step, 2.39335 hours remaining, 239.839844 MB of memory in use. ENERGY: 2347200 3986.5562 20467.4201 14453.6496 247.0461 -203246.7282 2667.0632 0.0000 0.0000 51836.9875 -109588.0054 297.9079 -161424.9929 -109227.9408 299.0338 32.8915 60.5387 763305.0877 4.9183 4.9486 PRESSURE: 2347400 -323.443 -139.306 -17.7847 -139.306 -112.731 38.1881 -17.785 38.1894 -229.613 GPRESSURE: 2347400 -258.987 -117.45 -27.2679 -232.501 -90.6808 16.8714 -14.247 127.379 -234.735 PRESSAVG: 2347400 -3.3805 14.7472 -17.9355 14.7471 -26.0223 18.9956 -17.9355 18.9956 4.51127 GPRESSAVG: 2347400 -3.99618 17.688 -17.8132 12.5758 -24.675 18.3375 -18.0687 19.836 4.45116 TIMING: 2347400 CPU: 7416.69, 0.00321145/step Wall: 7416.69, 0.00321145/step, 2.3663 hours remaining, 239.839844 MB of memory in use. ENERGY: 2347400 3994.8253 20328.0699 14450.6781 254.6467 -203263.4542 2629.8594 0.0000 0.0000 51945.6439 -109659.7308 298.5323 -161605.3747 -109291.3712 299.1064 -221.9290 -194.8008 762237.7343 -8.2972 -8.0733 PRESSURE: 2347600 247.921 -69.5857 -18.2858 -69.586 276.328 -9.28066 -18.2858 -9.28089 135.803 GPRESSURE: 2347600 275.965 -39.6907 -48.2854 -182.93 277.56 -50.747 -51.675 194.593 198.019 PRESSAVG: 2347600 -6.96641 39.9145 4.15665 39.9145 -6.89753 53.8152 4.15664 53.8151 -11.5384 GPRESSAVG: 2347600 -7.48131 40.5578 4.36402 41.8304 -6.84266 56.4809 3.14687 53.3909 -11.0416 TIMING: 2347600 CPU: 7417.34, 0.00321763/step Wall: 7417.34, 0.00321763/step, 2.37068 hours remaining, 239.839844 MB of memory in use. ENERGY: 2347600 3907.6299 20367.7015 14354.8658 242.6510 -203086.8611 2671.6138 0.0000 0.0000 52183.4701 -109358.9289 299.8991 -161542.3990 -109000.9401 299.3380 220.0175 250.5147 763013.1035 -8.4674 -8.4552 PRESSURE: 2347800 -294.403 131.498 -100.972 131.497 -140.763 143.781 -100.972 143.782 -190.079 GPRESSURE: 2347800 -290.411 190.136 -97.2576 89.557 -150.544 107.849 -46.0078 175.075 -93.6018 PRESSAVG: 2347800 18.2119 -0.9409 16.433 -0.940961 -10.678 11.0304 16.433 11.0304 -25.9372 GPRESSAVG: 2347800 18.6297 -3.49526 15.9816 0.297373 -11.2761 8.59829 16.2921 10.0283 -25.6256 TIMING: 2347800 CPU: 7417.98, 0.00321329/step Wall: 7417.98, 0.00321329/step, 2.3673 hours remaining, 239.839844 MB of memory in use. ENERGY: 2347800 3932.7435 20363.8914 14505.7173 236.5825 -202831.7719 2202.0710 0.0000 0.0000 52179.3674 -109411.3988 299.8755 -161590.7662 -109041.4228 299.3550 -208.4151 -178.1858 762334.6617 -6.1344 -6.0907 PRESSURE: 2348000 185.009 115.436 -97.5094 115.437 59.5041 -105.312 -97.5088 -105.313 106.372 GPRESSURE: 2348000 243.248 17.2574 -20.0962 170.583 95.0008 -151.974 -0.181167 -122.874 83.4172 PRESSAVG: 2348000 -19.8188 45.5099 -51.241 45.5099 19.7387 -11.0093 -51.241 -11.0092 -7.04103 GPRESSAVG: 2348000 -18.4092 47.7129 -49.4736 44.3614 18.1587 -11.4947 -50.392 -7.8895 -6.6893 TIMING: 2348000 CPU: 7418.63, 0.00324433/step Wall: 7418.63, 0.00324433/step, 2.38999 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2348000 3967.7813 20487.0309 14399.4887 229.4422 -203445.5346 2737.6763 0.0000 0.0000 52022.0741 -109602.0411 298.9716 -161624.1152 -109246.7881 299.2073 116.9618 140.5553 760660.0191 -2.3737 -2.3133 PRESSURE: 2348200 16.3083 148.61 18.5336 148.61 60.3295 -30.6647 18.534 -30.6657 -58.077 GPRESSURE: 2348200 89.0752 142.908 56.2734 40.1897 76.676 -62.596 -40.9348 21.0363 -85.4955 PRESSAVG: 2348200 5.80775 8.52811 -14.659 8.52811 52.8345 -61.4542 -14.659 -61.4542 7.54224 GPRESSAVG: 2348200 5.7212 7.70757 -17.1101 8.2969 54.1084 -58.519 -15.0425 -66.4997 6.33111 TIMING: 2348200 CPU: 7419.28, 0.00325205/step Wall: 7419.28, 0.00325205/step, 2.3955 hours remaining, 239.839844 MB of memory in use. ENERGY: 2348200 3947.6193 20578.1987 14394.4263 258.4723 -203251.6251 2375.5959 0.0000 0.0000 52311.1899 -109386.1227 300.6331 -161697.3126 -109023.6466 299.4649 6.1869 26.7519 759868.7181 22.0615 22.0536 LDB: ============= START OF LOAD BALANCING ============== 7431.68 LDB: ============== END OF LOAD BALANCING =============== 7431.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7431.69 LDB: ============= START OF LOAD BALANCING ============== 7432.01 LDB: Largest compute 7034 load 0.033893 is 17.3% of average load 0.195996 LDB: Average compute 0.004406 is 2.2% of average load 0.195996 LDB: TIME 7432.01 LOAD: AVG 0.195996 MAX 0.21642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 7432.01 LOAD: AVG 0.195996 MAX 0.21642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 7432.01 LOAD: AVG 0.195996 MAX 0.21642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 7432.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7432.02 PRESSURE: 2348400 -145.625 221.232 -110.913 221.232 403.531 20.044 -110.913 20.0427 24.7879 GPRESSURE: 2348400 -151.38 155.153 -120.992 120.319 383.33 50.326 -199.89 4.72683 135.926 PRESSAVG: 2348400 -31.1578 -2.95254 -43.5892 -2.95257 38.4399 -6.26846 -43.5892 -6.26848 -17.2601 GPRESSAVG: 2348400 -32.7178 -4.00552 -42.5461 -3.9416 38.4958 -7.74711 -42.1028 -2.33487 -16.3818 TIMING: 2348400 CPU: 7419.94, 0.00328232/step Wall: 7419.94, 0.00328231/step, 2.41761 hours remaining, 238.410156 MB of memory in use. ENERGY: 2348400 3916.5693 20509.7461 14398.3729 247.6014 -203187.5658 2502.9174 0.0000 0.0000 52090.7216 -109521.6372 299.3661 -161612.3588 -109157.0582 299.4119 94.2311 122.6254 760272.7231 -3.3260 -3.5346 PRESSURE: 2348600 232.421 82.5434 -123.488 82.5433 -53.8866 117.999 -123.488 118 205.756 GPRESSURE: 2348600 264.288 116.688 -64.835 -19.2565 -25.8855 109.82 7.57763 125.27 251.156 PRESSAVG: 2348600 -18.1331 -5.00456 -1.54978 -5.00457 47.6941 30.7076 -1.54977 30.7076 25.8431 GPRESSAVG: 2348600 -18.3267 -4.4086 -0.410756 -3.94895 48.0033 31.6982 -2.95729 27.5797 25.846 TIMING: 2348600 CPU: 7420.58, 0.00320044/step Wall: 7420.58, 0.00320044/step, 2.35713 hours remaining, 238.613281 MB of memory in use. ENERGY: 2348600 4039.7503 20509.0632 14430.7735 229.0463 -203483.9982 2726.3714 0.0000 0.0000 52167.8905 -109381.1030 299.8096 -161548.9935 -109020.4974 300.0735 128.0969 163.1862 759685.6752 18.4680 18.5075 PRESSURE: 2348800 198.58 145.529 97.6017 145.53 -139.158 -17.739 97.6013 -17.7398 -135.671 GPRESSURE: 2348800 180.723 139.641 125.372 80.2848 -22.4239 66.9948 8.38165 -6.50091 -144.964 PRESSAVG: 2348800 -0.74948 -32.3133 11.8587 -32.3133 13.6134 1.40882 11.8587 1.40884 -12.3143 GPRESSAVG: 2348800 -0.314146 -31.3174 13.1814 -33.5868 13.9838 0.841532 9.59691 2.98147 -13.5095 TIMING: 2348800 CPU: 7421.22, 0.00320341/step Wall: 7421.22, 0.00320341/step, 2.35913 hours remaining, 238.613281 MB of memory in use. ENERGY: 2348800 3975.0914 20423.6876 14479.8277 246.3327 -203450.0335 2549.9330 0.0000 0.0000 52274.9184 -109500.2425 300.4247 -161775.1609 -109129.5150 298.8821 -25.4163 4.4448 760950.0181 0.1832 0.0534 PRESSURE: 2349000 0.249614 94.9897 94.1609 94.9895 -121.907 -53.9744 94.1603 -53.9744 -8.96859 GPRESSURE: 2349000 42.0953 118.911 138.345 90.3436 -124.426 -88.4625 106.834 -82.4894 24.1998 PRESSAVG: 2349000 -47.0362 -35.4238 23.2769 -35.4238 21.7423 7.32372 23.2768 7.32368 27.7037 GPRESSAVG: 2349000 -46.8029 -35.4296 20.003 -34.969 21.2743 7.23337 25.2801 6.00692 27.9407 TIMING: 2349000 CPU: 7421.86, 0.00321876/step Wall: 7421.86, 0.00321876/step, 2.37026 hours remaining, 238.613281 MB of memory in use. ENERGY: 2349000 3987.2283 20741.4825 14337.9868 250.3385 -203343.7300 2547.4621 0.0000 0.0000 52076.4251 -109402.8067 299.2839 -161479.2318 -109041.2398 299.0250 -43.5421 -19.3768 761195.0388 0.8033 0.8040 PRESSURE: 2349200 -277.956 -31.2508 34.1929 -31.2504 -310.619 171.845 34.1932 171.846 -159.432 GPRESSURE: 2349200 -274.759 -2.61025 95.623 -34.1167 -212.893 202.698 71.5975 114.103 -150.786 PRESSAVG: 2349200 0.427464 -27.2612 4.33739 -27.2612 1.68136 14.973 4.33737 14.973 2.64637 GPRESSAVG: 2349200 0.297659 -28.0327 5.63019 -25.286 1.79364 14.5103 5.47792 15.1416 3.32485 TIMING: 2349200 CPU: 7422.5, 0.00319505/step Wall: 7422.5, 0.00319505/step, 2.35262 hours remaining, 238.613281 MB of memory in use. ENERGY: 2349200 4008.5366 20478.8620 14420.1953 221.0422 -203229.3600 2558.9138 0.0000 0.0000 52169.3684 -109372.4416 299.8181 -161541.8100 -109010.8235 299.7361 -249.3356 -212.8129 760778.7313 1.5851 1.8054 PRESSURE: 2349400 -85.0177 213.006 174.692 213.006 102.209 152.412 174.692 152.412 260.788 GPRESSURE: 2349400 -80.7994 192.598 238.933 288.818 151.972 101.961 -23.0122 263.145 310.185 PRESSAVG: 2349400 -48.9395 -28.9126 42.4421 -28.9126 57.2497 38.7115 42.4421 38.7116 -16.3767 GPRESSAVG: 2349400 -48.1045 -28.7484 42.3964 -29.1855 57.6438 40.3292 40.8359 40.9518 -17.1491 TIMING: 2349400 CPU: 7423.14, 0.00322118/step Wall: 7423.14, 0.00322118/step, 2.37168 hours remaining, 238.613281 MB of memory in use. ENERGY: 2349400 3941.0890 20605.1224 14407.5112 245.5621 -202977.6695 2409.6645 0.0000 0.0000 52050.3483 -109318.3720 299.1341 -161368.7203 -108959.9147 299.3868 92.6596 127.1191 760544.5218 -2.6888 -2.5366 PRESSURE: 2349600 -55.96 -144.916 -106.353 -144.917 107.307 106.699 -106.352 106.699 -54.1324 GPRESSURE: 2349600 29.6126 -178.789 -141.588 -39.7816 91.6877 70.5017 11.9161 65.0183 -24.9385 PRESSAVG: 2349600 -43.0223 6.78114 37.8601 6.78114 62.9926 54.9373 37.8601 54.9373 -6.67384 GPRESSAVG: 2349600 -44.0839 6.7424 38.7044 7.21022 62.3411 52.3304 37.4194 53.5763 -4.93699 TIMING: 2349600 CPU: 7423.79, 0.00320739/step Wall: 7423.79, 0.00320739/step, 2.36135 hours remaining, 238.613281 MB of memory in use. ENERGY: 2349600 3909.6516 20657.0173 14442.6047 228.5103 -203350.4548 2613.5797 0.0000 0.0000 51935.9474 -109563.1438 298.4766 -161499.0912 -109206.8161 299.0104 -0.9285 32.1206 761701.6351 4.4321 4.4401 PRESSURE: 2349800 7.1917 -158.395 26.9332 -158.395 44.4994 179.057 26.9336 179.057 -254.454 GPRESSURE: 2349800 63.0377 -91.2865 15.2796 -77.0299 52.4797 242.507 138.553 116.27 -241.427 PRESSAVG: 2349800 -27.6271 6.55156 -3.02108 6.55165 27.0687 36.5195 -3.02108 36.5194 -21.7127 GPRESSAVG: 2349800 -26.7276 6.99988 -4.74591 3.982 26.5772 37.1722 -1.38402 34.3182 -22.4259 TIMING: 2349800 CPU: 7424.43, 0.0032359/step Wall: 7424.43, 0.0032359/step, 2.38216 hours remaining, 238.613281 MB of memory in use. ENERGY: 2349800 4000.6937 20558.7678 14490.5941 243.0127 -203168.6718 2229.7715 0.0000 0.0000 52243.6185 -109402.2135 300.2448 -161645.8320 -109041.8635 299.6124 -67.5876 -41.9698 760785.6199 -7.4237 -7.5254 PRESSURE: 2350000 122.761 306.06 115.542 306.061 178.305 82.2221 115.541 82.222 208.274 GPRESSURE: 2350000 217.85 336.825 104.831 274.271 179.103 84.4377 62.2829 139.407 208.194 PRESSAVG: 2350000 -40.1011 -8.99518 -9.91921 -8.99519 40.3992 1.28761 -9.91924 1.28763 -4.3075 GPRESSAVG: 2350000 -39.8204 -9.54859 -8.54057 -7.98938 41.4512 0.6709 -10.9597 4.62139 -5.52831 TIMING: 2350000 CPU: 7425.08, 0.00322029/step Wall: 7425.08, 0.00322029/step, 2.37049 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2350000 3921.2258 20429.1285 14407.7317 255.1111 -203419.1520 2602.5510 0.0000 0.0000 52261.0792 -109542.3248 300.3451 -161803.4039 -109170.6424 299.4723 169.7803 201.7156 760923.4321 -1.3365 -1.2992 PRESSURE: 2350200 -399.087 -159.107 -176.258 -159.107 -21.5984 -81.5316 -176.258 -81.532 164.297 GPRESSURE: 2350200 -407.749 -70.8162 -154.665 -305.829 69.97 -77.5488 -282.662 40.6362 146.268 PRESSAVG: 2350200 2.281 -17.8982 -56.5798 -17.8982 19.097 29.6079 -56.5798 29.6078 10.767 GPRESSAVG: 2350200 1.71645 -18.2488 -56.5842 -17.3341 20.1051 30.2689 -56.6549 28.0608 10.3789 TIMING: 2350200 CPU: 7425.72, 0.00322379/step Wall: 7425.72, 0.00322379/step, 2.37289 hours remaining, 238.613281 MB of memory in use. ENERGY: 2350200 4032.3556 20558.3739 14457.0076 240.8688 -203440.0043 2488.9921 0.0000 0.0000 52280.1722 -109382.2341 300.4549 -161662.4063 -109021.5446 299.4380 -85.4626 -63.8371 759461.6459 10.7150 10.7335 PRESSURE: 2350400 85.5314 232.684 26.0037 232.685 97.5643 82.6428 26.0034 82.6421 170.262 GPRESSURE: 2350400 194.61 371.344 21.6624 149.912 99.7409 150.259 -27.9517 50.9245 139.347 PRESSAVG: 2350400 -11.4588 7.0983 14.4352 7.09824 25.6182 1.22549 14.4351 1.22548 0.689132 GPRESSAVG: 2350400 -11.7766 7.54045 12.768 5.86166 24.4581 3.12586 16.1918 1.00129 2.23543 TIMING: 2350400 CPU: 7426.37, 0.00322303/step Wall: 7426.37, 0.00322303/step, 2.37215 hours remaining, 238.613281 MB of memory in use. ENERGY: 2350400 3961.7242 20570.9533 14467.4004 227.9462 -203538.6531 2678.3666 0.0000 0.0000 52310.5398 -109321.7226 300.6294 -161632.2624 -108958.8532 299.2978 117.7859 144.5660 760070.6899 4.9495 4.9723 PRESSURE: 2350600 -18.6537 -8.9733 164.872 -8.97401 179.069 -8.83738 164.872 -8.83737 -278.064 GPRESSURE: 2350600 -1.4467 -46.2939 195.097 57.1762 247.003 -68.793 -52.0641 -65.2803 -279.321 PRESSAVG: 2350600 -15.0915 -2.47685 33.732 -2.47685 -20.1212 25.0314 33.732 25.0314 -18.0466 GPRESSAVG: 2350600 -14.5356 -2.55596 37.0915 -1.20712 -19.682 23.6081 31.6313 25.1627 -19.1841 TIMING: 2350600 CPU: 7427.01, 0.00320447/step Wall: 7427.01, 0.00320447/step, 2.35831 hours remaining, 238.613281 MB of memory in use. ENERGY: 2350600 3942.1051 20644.7284 14370.9852 253.5221 -203669.3636 2654.2160 0.0000 0.0000 52145.7678 -109658.0390 299.6824 -161803.8068 -109296.9350 299.8377 -39.2162 -11.2548 760788.4204 -17.7531 -17.8006 PRESSURE: 2350800 56.2513 -225.867 -133.012 -225.866 54.5933 88.2187 -133.012 88.2188 216.241 GPRESSURE: 2350800 126.629 -272.948 -143.935 -177.489 52.1328 157.649 20.1904 75.7556 218.133 PRESSAVG: 2350800 50.7439 -14.4103 -38.5247 -14.4104 -8.08423 8.50002 -38.5248 8.50003 -10.3473 GPRESSAVG: 2350800 50.4205 -13.6532 -37.9639 -14.7975 -8.43408 8.68103 -37.788 7.63282 -10.1004 TIMING: 2350800 CPU: 7427.65, 0.00323162/step Wall: 7427.65, 0.00323162/step, 2.37811 hours remaining, 238.613281 MB of memory in use. ENERGY: 2350800 3956.2954 20571.0682 14442.3535 260.8318 -203709.5083 2698.7003 0.0000 0.0000 52145.5844 -109634.6748 299.6814 -161780.2592 -109263.2198 299.3333 109.0284 132.2981 759492.3434 10.7708 10.6287 PRESSURE: 2351000 74.9797 8.25088 -178.655 8.25173 -78.894 -43.9919 -178.655 -43.9916 46.0736 GPRESSURE: 2351000 105.062 93.3368 -284.493 0.264937 -77.415 -5.39288 -103.541 -136.854 78.078 PRESSAVG: 2351000 -36.7058 11.4382 -21.8657 11.4382 35.6133 21.914 -21.8657 21.9139 -6.24296 GPRESSAVG: 2351000 -36.3076 9.45226 -24.658 11.3349 33.806 22.5381 -21.6863 22.4555 -5.30296 TIMING: 2351000 CPU: 7428.31, 0.00326943/step Wall: 7428.31, 0.00326943/step, 2.40575 hours remaining, 238.613281 MB of memory in use. ENERGY: 2351000 4150.0129 20485.6279 14482.5721 242.7380 -203599.2874 2561.3569 0.0000 0.0000 52231.5915 -109445.3881 300.1757 -161676.9796 -109073.7576 299.8258 14.0531 35.2417 760962.4913 -2.4451 -2.6015 PRESSURE: 2351200 -94.6649 39.0979 49.1191 39.0991 -67.6277 -268.684 49.1188 -268.684 158.292 GPRESSURE: 2351200 -72.7771 -38.8227 -65.3764 -44.1369 9.90046 -177.863 62.8469 -246.085 118.931 PRESSAVG: 2351200 -8.14327 -71.4139 -30.8412 -71.4138 20.5784 -8.2773 -30.8412 -8.27728 13.8031 GPRESSAVG: 2351200 -8.32638 -69.7106 -32.1705 -71.8764 21.8935 -8.54693 -30.3562 -9.49881 13.4945 TIMING: 2351200 CPU: 7428.95, 0.00322902/step Wall: 7428.95, 0.00322902/step, 2.37584 hours remaining, 238.613281 MB of memory in use. ENERGY: 2351200 3990.8600 20613.0764 14471.8606 250.2538 -203373.4633 2473.1213 0.0000 0.0000 51985.8195 -109588.4717 298.7632 -161574.2912 -109229.6850 299.8514 -1.3335 18.6848 761915.7918 8.7461 9.0205 PRESSURE: 2351400 54.8899 -38.5272 40.2456 -38.5272 -139.006 178.787 40.2459 178.787 12.1428 GPRESSURE: 2351400 17.46 -34.0197 -19.8809 -38.3292 -38.833 184.598 93.5347 163.679 40.5659 PRESSAVG: 2351400 -26.9532 -45.4266 -39.2293 -45.4266 -30.4545 0.196167 -39.2294 0.196194 -0.00920001 GPRESSAVG: 2351400 -26.7243 -45.0493 -36.5595 -45.1756 -30.6866 -0.785223 -39.6 2.08948 -0.195259 TIMING: 2351400 CPU: 7429.59, 0.00320596/step Wall: 7429.59, 0.00320596/step, 2.3587 hours remaining, 238.613281 MB of memory in use. ENERGY: 2351400 3942.5609 20464.5697 14418.6875 254.1060 -203557.7933 2670.2928 0.0000 0.0000 52018.3401 -109789.2363 298.9501 -161807.5764 -109418.6609 298.6745 -23.9911 6.3976 761240.8704 -19.1390 -19.2020 PRESSURE: 2351600 50.1194 -275.354 -281.52 -275.354 119.352 -19.0834 -281.52 -19.0815 -174.026 GPRESSURE: 2351600 17.0511 -317.175 -287.306 -206.576 203.597 34.037 -191.048 13.956 -123.645 PRESSAVG: 2351600 56.8103 -44.9811 -56.156 -44.9811 -26.4343 -78.1961 -56.156 -78.1961 -10.1872 GPRESSAVG: 2351600 56.5966 -45.2228 -57.6796 -42.9929 -25.7654 -78.5502 -55.1585 -79.4826 -10.2613 TIMING: 2351600 CPU: 7430.24, 0.00320946/step Wall: 7430.24, 0.00320946/step, 2.3611 hours remaining, 238.613281 MB of memory in use. ENERGY: 2351600 4026.7101 20484.8638 14365.3390 237.8397 -203485.2886 2371.6244 0.0000 0.0000 52149.5787 -109849.3329 299.7043 -161998.9115 -109490.1528 299.0305 -1.5181 32.3343 758474.1737 6.7296 6.8566 PRESSURE: 2351800 -101.448 91.5472 -389.598 91.5474 -123.525 -253.702 -389.598 -253.702 -506.067 GPRESSURE: 2351800 69.8073 62.8129 -283.915 -39.9779 -223.213 -315.343 -298.503 -200.989 -478.7 PRESSAVG: 2351800 14.7046 -37.1914 11.1714 -37.1913 6.41481 -61.2904 11.1714 -61.2905 -4.2434 GPRESSAVG: 2351800 15.7856 -38.0967 11.7206 -37.8319 4.67363 -61.9928 9.34712 -60.8535 -3.24542 TIMING: 2351800 CPU: 7430.88, 0.00322385/step Wall: 7430.88, 0.00322385/step, 2.3715 hours remaining, 238.613281 MB of memory in use. ENERGY: 2351800 4008.5505 20617.3001 14359.6071 247.9135 -203285.0211 2233.3674 0.0000 0.0000 51845.4772 -109972.8052 297.9567 -161818.2824 -109612.7735 298.7007 -243.6799 -210.7021 760137.0764 5.6253 5.7379 PRESSURE: 2352000 377.955 86.7619 -230.92 86.7607 -172.777 -74.712 -230.92 -74.7113 130.69 GPRESSURE: 2352000 311.174 72.6994 -282.402 114.375 -93.0219 -107.125 -215.451 -44.561 197.121 PRESSAVG: 2352000 1.37077 -32.2526 -0.711624 -32.2525 -21.8865 -25.4339 -0.711651 -25.4339 2.60783 GPRESSAVG: 2352000 0.727707 -32.6234 -1.50835 -32.239 -21.2921 -24.0277 -1.56631 -26.045 2.28923 TIMING: 2352000 CPU: 7431.53, 0.00324854/step Wall: 7431.53, 0.00324854/step, 2.38948 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2352000 3981.3980 20579.6982 14380.8012 207.3517 -203987.6517 2950.1044 0.0000 0.0000 52080.6954 -109807.6029 299.3085 -161888.2983 -109441.4399 298.4731 111.9560 138.4243 758957.2880 -5.9693 -6.0917 PRESSURE: 2352200 104.457 -197.119 2.99553 -197.119 6.58779 -132.542 2.99493 -132.544 -75.6984 GPRESSURE: 2352200 191.098 -154.313 -26.6016 -79.4931 -48.1854 -136.291 30.2384 -94.3162 -18.1469 PRESSAVG: 2352200 76.4562 -4.0275 -59.0621 -4.0275 -26.3616 6.92242 -59.062 6.92238 -18.741 GPRESSAVG: 2352200 76.1387 -1.80695 -58.5533 -4.72603 -25.7377 7.0331 -57.5323 6.31257 -19.2473 TIMING: 2352200 CPU: 7432.17, 0.00319436/step Wall: 7432.17, 0.00319436/step, 2.34945 hours remaining, 238.613281 MB of memory in use. ENERGY: 2352200 4024.9026 20562.6973 14407.4798 229.0114 -203261.1510 2424.1612 0.0000 0.0000 51998.8764 -109614.0223 298.8383 -161612.8987 -109260.7995 298.8522 11.7823 41.5885 760583.7453 10.4512 10.3846 LDB: ============= START OF LOAD BALANCING ============== 7444.57 LDB: ============== END OF LOAD BALANCING =============== 7444.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.57 LDB: ============= START OF LOAD BALANCING ============== 7444.9 LDB: Largest compute 7033 load 0.035662 is 18.2% of average load 0.195870 LDB: Average compute 0.004412 is 2.3% of average load 0.195870 LDB: TIME 7444.9 LOAD: AVG 0.19587 MAX 0.216126 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 7444.9 LOAD: AVG 0.19587 MAX 0.216126 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7444.9 LOAD: AVG 0.19587 MAX 0.216126 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7444.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.91 PRESSURE: 2352400 -35.7138 97.7411 81.075 97.7398 119.482 101.332 81.0741 101.332 -144.156 GPRESSURE: 2352400 46.4663 60.8776 59.5546 97.6355 111.347 84.9564 113.937 69.8793 -134.799 PRESSAVG: 2352400 21.1328 -6.20208 -53.4338 -6.20212 10.9095 17.5072 -53.4339 17.5072 22.5225 GPRESSAVG: 2352400 21.7026 -7.75361 -52.5665 -4.714 10.9263 15.8617 -52.973 18.3494 21.8493 TIMING: 2352400 CPU: 7432.82, 0.00326536/step Wall: 7432.82, 0.00326536/step, 2.40149 hours remaining, 239.183594 MB of memory in use. ENERGY: 2352400 4025.4860 20504.0466 14398.6696 250.3444 -203694.8009 2813.3842 0.0000 0.0000 52250.9397 -109451.9304 300.2869 -161702.8701 -109084.3505 299.7156 -20.1295 7.6715 759680.7635 18.1883 18.1594 PRESSURE: 2352600 149.311 150.794 -55.5366 150.794 -244.478 -22.4558 -55.5368 -22.4566 -119.298 GPRESSURE: 2352600 141.567 118.593 -168.864 31.6787 -181.683 -151.969 -151.123 14.7645 -83.1452 PRESSAVG: 2352600 6.71408 -0.0195234 -26.5896 -0.0195524 -32.0395 39.9317 -26.5896 39.9316 4.11161 GPRESSAVG: 2352600 6.39485 2.41322 -26.496 -2.84895 -31.6748 40.3272 -27.5537 39.4224 4.42065 TIMING: 2352600 CPU: 7433.46, 0.00320451/step Wall: 7433.46, 0.00320451/step, 2.35656 hours remaining, 239.253906 MB of memory in use. ENERGY: 2352600 3921.8531 20528.8454 14377.3241 244.2529 -203046.9236 2328.9828 0.0000 0.0000 52314.2801 -109331.3852 300.6509 -161645.6653 -108975.9435 299.6551 -71.4884 -41.0872 760362.0238 -7.0713 -6.9531 PRESSURE: 2352800 -601.855 54.8206 -178.2 54.8191 -360.153 45.1891 -178.201 45.1891 -232.494 GPRESSURE: 2352800 -478.519 18.2612 -190.304 59.9591 -394.545 18.761 -9.56093 -15.0576 -229.716 PRESSAVG: 2352800 14.5612 26.228 -8.91557 26.2281 -74.1172 6.17639 -8.9156 6.1764 -13.4289 GPRESSAVG: 2352800 14.7146 24.8494 -9.38058 27.115 -75.106 6.88688 -7.23602 5.85071 -12.8213 TIMING: 2352800 CPU: 7434.1, 0.0032037/step Wall: 7434.1, 0.0032037/step, 2.35579 hours remaining, 239.253906 MB of memory in use. ENERGY: 2352800 4027.4664 20525.9532 14455.8723 242.2892 -203395.4307 2335.5084 0.0000 0.0000 52044.7314 -109763.6097 299.1018 -161808.3411 -109399.8911 299.1270 -398.1672 -367.5935 759966.2781 -24.3283 -24.4043 PRESSURE: 2353000 39.777 -83.8177 113.519 -83.8172 -35.3412 -149.57 113.52 -149.57 30.5876 GPRESSURE: 2353000 75.7835 -38.2755 73.3051 -51.5561 79.0653 -199.819 142.427 -71.8502 -40.2109 PRESSAVG: 2353000 -33.5347 -1.28443 1.1732 -1.28437 20.833 -28.6138 1.17317 -28.6138 3.20019 GPRESSAVG: 2353000 -32.6572 -0.824021 1.29978 0.425412 20.5147 -28.8584 0.721418 -26.5309 2.92111 TIMING: 2353000 CPU: 7434.74, 0.00318476/step Wall: 7434.74, 0.00318476/step, 2.34168 hours remaining, 239.253906 MB of memory in use. ENERGY: 2353000 3966.7477 20601.5894 14320.8513 249.3230 -203338.4764 2416.7452 0.0000 0.0000 52139.0690 -109644.1508 299.6439 -161783.2198 -109284.3187 298.6808 11.6744 38.2126 759587.1709 -3.1672 -3.0738 PRESSURE: 2353200 -80.3669 -29.8733 31.9828 -29.8736 -110.971 167.912 31.9828 167.912 -256.288 GPRESSURE: 2353200 -7.34276 109.481 13.297 -113.484 -107.981 130.905 -63.5727 123.001 -252.485 PRESSAVG: 2353200 19.259 -8.31662 -12.093 -8.31663 18.8579 27.3281 -12.093 27.3281 19.1752 GPRESSAVG: 2353200 18.3311 -6.81456 -12.2713 -10.5186 19.6371 27.0965 -14.2549 26.5852 19.8467 TIMING: 2353200 CPU: 7435.38, 0.00320806/step Wall: 7435.38, 0.00320806/step, 2.35864 hours remaining, 239.253906 MB of memory in use. ENERGY: 2353200 3983.8324 20548.0289 14421.3295 239.0960 -203464.1833 2482.6941 0.0000 0.0000 52075.9180 -109713.2843 299.2810 -161789.2023 -109361.9826 299.1095 -149.2084 -122.6028 760416.0828 19.0974 19.2716 PRESSURE: 2353400 -31.1788 16.3002 -190.258 16.3 -179.127 147.903 -190.258 147.904 132.465 GPRESSURE: 2353400 31.3677 -76.907 -147.062 83.1628 -130.496 43.1657 -163.257 113.787 119.655 PRESSAVG: 2353400 53.4237 -56.915 -24.1266 -56.9151 -12.0068 -4.44278 -24.1266 -4.44282 -3.41756 GPRESSAVG: 2353400 53.283 -59.475 -23.5796 -54.0728 -10.8053 -4.6637 -23.9535 -2.99334 -4.1738 TIMING: 2353400 CPU: 7436.03, 0.00321906/step Wall: 7436.03, 0.00321906/step, 2.36655 hours remaining, 239.253906 MB of memory in use. ENERGY: 2353400 3960.8151 20463.8841 14426.4044 268.6901 -203279.8964 2357.8373 0.0000 0.0000 52299.9981 -109502.2673 300.5688 -161802.2654 -109137.7470 299.6302 -25.9469 6.8421 760346.2271 12.6665 12.7679 PRESSURE: 2353600 89.0136 135.34 31.0257 135.34 -68.0759 186.897 31.0256 186.897 -66.3727 GPRESSURE: 2353600 138.814 67.3138 -18.5274 133.564 -110.609 225.181 17.8707 26.3751 9.04303 PRESSAVG: 2353600 21.6352 -13.1094 -29.9189 -13.1094 -25.239 -31.3574 -29.9188 -31.3574 -9.3473 GPRESSAVG: 2353600 21.3292 -11.494 -30.6564 -16.4665 -24.9954 -28.8889 -28.3142 -36.3774 -9.55553 TIMING: 2353600 CPU: 7436.67, 0.0031904/step Wall: 7436.67, 0.0031904/step, 2.3453 hours remaining, 239.253906 MB of memory in use. ENERGY: 2353600 3999.2999 20587.7972 14486.4244 265.9369 -203558.9543 2739.7193 0.0000 0.0000 51950.8772 -109528.8994 298.5624 -161479.7766 -109178.4675 299.1827 -15.1450 12.4158 761335.5963 -4.3170 -4.4072 PRESSURE: 2353800 102.849 58.3801 85.6188 58.3806 -134.415 -201.147 85.6191 -201.148 -33.3504 GPRESSURE: 2353800 91.102 65.7966 150.899 -3.14069 -88.5673 -237.269 82.8275 -76.372 23.2998 PRESSAVG: 2353800 46.2288 -13.185 -38.9903 -13.185 -74.1571 9.7556 -38.9903 9.75548 -1.90238 GPRESSAVG: 2353800 48.3921 -12.3102 -37.9757 -12.9083 -76.21 7.92635 -39.6505 15.6989 -1.82029 TIMING: 2353800 CPU: 7437.31, 0.0032207/step Wall: 7437.31, 0.0032207/step, 2.36739 hours remaining, 239.253906 MB of memory in use. ENERGY: 2353800 3926.3871 20627.8309 14396.2807 252.9907 -203519.3898 2651.3717 0.0000 0.0000 52323.3671 -109341.1615 300.7031 -161664.5286 -108975.0441 299.0181 -21.6386 8.6115 762069.1955 -9.9436 -9.8794 PRESSURE: 2354000 194.616 33.5122 109.442 33.5136 -170.829 33.787 109.442 33.7884 -193.001 GPRESSURE: 2354000 267.467 -81.9086 61.3782 87.1653 -161.722 14.8189 113.579 -161.48 -181.067 PRESSAVG: 2354000 39.6544 -7.70785 -25.0587 -7.70786 -13.28 -12.0665 -25.0587 -12.0664 14.0998 GPRESSAVG: 2354000 36.7222 -8.8841 -25.5501 -6.08652 -11.4985 -12.9383 -25.1281 -12.9706 15.1317 TIMING: 2354000 CPU: 7437.96, 0.00323042/step Wall: 7437.96, 0.00323042/step, 2.37436 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2354000 4177.2640 20657.8310 14435.6107 254.5243 -203400.1693 2563.1170 0.0000 0.0000 51994.7030 -109317.1193 298.8143 -161311.8223 -108960.8164 300.1637 -56.4046 -25.1075 761091.0565 13.4914 13.4518 PRESSURE: 2354200 -74.7 279.7 39.1333 279.7 100.319 142.737 39.1329 142.737 -48.1234 GPRESSURE: 2354200 -3.29418 242.209 46.0432 193.224 37.8976 112.847 90.5507 82.1508 32.3516 PRESSAVG: 2354200 56.1298 13.1845 6.83622 13.1845 -50.4516 31.4669 6.83616 31.4669 -0.143986 GPRESSAVG: 2354200 58.2384 12.2416 8.11614 12.7865 -52.0388 31.7237 7.30517 30.7226 -0.285233 TIMING: 2354200 CPU: 7438.6, 0.00321098/step Wall: 7438.6, 0.00321098/step, 2.35989 hours remaining, 239.253906 MB of memory in use. ENERGY: 2354200 4003.9008 20382.1272 14440.4084 262.2781 -203136.0192 2397.0701 0.0000 0.0000 52259.3754 -109390.8592 300.3353 -161650.2345 -109023.4314 299.6709 -7.5014 22.3183 760297.1735 1.8447 1.9714 PRESSURE: 2354400 -176.174 138.984 -22.582 138.983 -315.187 -71.66 -22.5818 -71.6597 -172.377 GPRESSURE: 2354400 -107.883 123.968 -29.7827 211.58 -305.638 -21.529 85.9663 -15.5544 -166.872 PRESSAVG: 2354400 -20.1191 -11.887 -29.6809 -11.887 48.7118 -41.2917 -29.6809 -41.2916 -15.1304 GPRESSAVG: 2354400 -20.3913 -11.3799 -31.3088 -11.2527 50.0294 -42.165 -29.773 -40.9144 -16.0077 TIMING: 2354400 CPU: 7439.24, 0.00318943/step Wall: 7439.24, 0.00318943/step, 2.34388 hours remaining, 239.253906 MB of memory in use. ENERGY: 2354400 4029.8373 20613.5442 14434.6894 232.0665 -203552.0318 2565.5693 0.0000 0.0000 52229.4826 -109446.8425 300.1636 -161676.3251 -109081.7521 299.2349 -221.2462 -193.4644 758750.9863 4.4875 4.5435 PRESSURE: 2354600 -91.669 63.8538 -94.0904 63.8533 -234.781 -67.1575 -94.091 -67.1583 -430.854 GPRESSURE: 2354600 -106.543 173.891 -111.039 139.599 -91.1707 -152.636 -51.4693 -98.4476 -481.453 PRESSAVG: 2354600 26.5627 -24.3636 -36.3547 -24.3635 -51.4661 4.0577 -36.3547 4.05772 -10.403 GPRESSAVG: 2354600 25.8657 -25.0478 -37.5648 -26.7558 -51.0637 5.5075 -36.7609 4.12326 -9.92912 TIMING: 2354600 CPU: 7439.87, 0.00316132/step Wall: 7439.87, 0.00316132/step, 2.32304 hours remaining, 239.253906 MB of memory in use. ENERGY: 2354600 3904.7426 20623.6166 14418.0755 251.8378 -203110.8281 2371.2892 0.0000 0.0000 51992.2474 -109549.0190 298.8002 -161541.2664 -109190.3601 299.8999 -252.4346 -226.3891 761961.0802 -11.7688 -11.7090 PRESSURE: 2354800 49.4112 -138.223 -225.551 -138.223 175.677 35.7098 -225.552 35.7098 85.259 GPRESSURE: 2354800 4.75476 -86.7486 -160.675 -63.7591 262.214 -92.6935 -262.153 139.24 133.364 PRESSAVG: 2354800 0.513277 22.9039 -27.4491 22.9039 0.366146 28.8043 -27.449 28.8043 -2.2741 GPRESSAVG: 2354800 0.868175 22.0129 -26.0097 25.3901 -0.351382 27.7728 -27.9833 30.1266 -1.39998 TIMING: 2354800 CPU: 7440.5, 0.00316/step Wall: 7440.5, 0.00316/step, 2.3219 hours remaining, 239.253906 MB of memory in use. ENERGY: 2354800 3987.4525 20436.4686 14441.7010 251.8883 -203489.9624 2519.2213 0.0000 0.0000 52246.9561 -109606.2746 300.2640 -161853.2308 -109239.9691 299.7080 103.4492 133.4442 760189.0929 -0.4649 -0.2944 PRESSURE: 2355000 -206.189 56.634 116.59 56.6339 181.395 -122.777 116.59 -122.777 -34.1188 GPRESSURE: 2355000 -152.663 43.2698 97.745 -14.2114 219.36 -127.984 146.066 -27.0908 -18.3327 PRESSAVG: 2355000 78.8759 40.7964 11.7148 40.7965 -62.4375 -16.7663 11.7148 -16.7663 32.2519 GPRESSAVG: 2355000 79.6964 42.242 12.6951 38.9831 -62.8075 -17.1406 11.4473 -17.2552 31.9773 TIMING: 2355000 CPU: 7441.13, 0.00317212/step Wall: 7441.13, 0.00317212/step, 2.33063 hours remaining, 239.253906 MB of memory in use. ENERGY: 2355000 3934.9314 20478.8710 14379.7442 256.7585 -203125.2445 2390.9712 0.0000 0.0000 52152.5148 -109531.4534 299.7212 -161683.9682 -109155.6427 299.5403 -19.6376 16.1213 761690.3625 16.2301 16.2887 PRESSURE: 2355200 -114.138 97.5964 -131.524 97.5965 -235.372 163.27 -131.524 163.269 156.316 GPRESSURE: 2355200 -72.3643 145.131 -249.578 150.739 -170.517 183.074 -140.242 61.5779 139.846 PRESSAVG: 2355200 17.7387 -2.11196 -36.6142 -2.11202 -24.339 9.98968 -36.6142 9.98963 0.771751 GPRESSAVG: 2355200 16.5255 -1.08459 -36.7063 -2.49084 -23.1187 11.8181 -37.2807 9.24595 0.664173 TIMING: 2355200 CPU: 7441.76, 0.00315361/step Wall: 7441.76, 0.00315361/step, 2.31685 hours remaining, 239.253906 MB of memory in use. ENERGY: 2355200 4005.8678 20629.4186 14337.6450 229.7585 -203167.0917 2529.4588 0.0000 0.0000 51990.3489 -109444.5941 298.7892 -161434.9430 -109092.6825 299.6994 -64.3978 -34.3449 762229.1301 -1.9429 -1.9763 PRESSURE: 2355400 -195.783 -84.6117 161.064 -84.612 -292.249 11.1921 161.064 11.1929 -120.534 GPRESSURE: 2355400 -150.987 -126.674 159.227 -117.348 -236.849 64.0306 127.929 56.3021 -134.035 PRESSAVG: 2355400 -5.37711 -41.8543 -10.2861 -41.8543 22.232 -30.98 -10.2861 -30.9799 0.723203 GPRESSAVG: 2355400 -3.59978 -43.7185 -10.1925 -40.8638 20.2593 -32.0537 -8.43599 -29.5826 0.945971 TIMING: 2355400 CPU: 7442.4, 0.00318199/step Wall: 7442.4, 0.00318199/step, 2.33753 hours remaining, 239.253906 MB of memory in use. ENERGY: 2355400 3998.6666 20514.1068 14411.8665 231.5974 -203366.9402 2553.1320 0.0000 0.0000 52139.2529 -109518.3179 299.6450 -161657.5708 -109151.0892 299.1384 -202.8555 -173.9573 761268.0244 5.8594 5.8685 PRESSURE: 2355600 -142.973 130.883 13.8868 130.882 -412.998 -77.0644 13.8859 -77.0641 -217.003 GPRESSURE: 2355600 -52.6836 155.146 75.6769 155.216 -326.309 -71.74 -161.387 -174.678 -294.002 PRESSAVG: 2355600 -28.3904 -2.10896 17.0759 -2.10901 29.9351 -10.9671 17.0759 -10.9671 0.535114 GPRESSAVG: 2355600 -28.979 -1.19522 14.981 -3.28964 31.9205 -10.8828 17.8478 -12.7334 -0.372852 TIMING: 2355600 CPU: 7443.04, 0.00318602/step Wall: 7443.04, 0.00318602/step, 2.34031 hours remaining, 239.253906 MB of memory in use. ENERGY: 2355600 4025.7864 20365.8332 14427.5489 229.7029 -203318.0074 2486.6100 0.0000 0.0000 52026.2980 -109756.2279 298.9958 -161782.5260 -109386.3879 298.9225 -257.6579 -224.3314 761757.7555 0.6933 0.8562 PRESSURE: 2355800 469.31 -315.951 -34.4152 -315.951 8.62316 -151.147 -34.4151 -151.147 -20.9323 GPRESSURE: 2355800 517.767 -324.685 14.2656 -290.448 23.104 -147.731 38.1086 21.3236 -11.4718 PRESSAVG: 2355800 50.5006 47.8174 -8.74022 47.8175 7.87464 -24.907 -8.7402 -24.9069 -30.3557 GPRESSAVG: 2355800 51.34 48.9567 -6.12326 49.554 7.32747 -24.6465 -9.02449 -25.0171 -30.3272 TIMING: 2355800 CPU: 7443.68, 0.0031847/step Wall: 7443.68, 0.0031847/step, 2.33917 hours remaining, 239.253906 MB of memory in use. ENERGY: 2355800 4037.4295 20505.6785 14389.3051 250.9569 -203476.1822 2661.6172 0.0000 0.0000 52018.6529 -109612.5421 298.9519 -161631.1950 -109246.9122 298.7634 152.3335 176.4665 760841.5543 9.3398 9.4468 PRESSURE: 2356000 260.182 -44.9759 -76.3569 -44.9761 141.589 237.759 -76.3568 237.758 105.871 GPRESSURE: 2356000 282.865 -70.4062 -101.872 -127.639 129.424 137.643 -82.2264 253.11 172.548 PRESSAVG: 2356000 1.24008 -45.5597 20.4277 -45.5596 -47.4779 -86.6985 20.4277 -86.6985 6.12586 GPRESSAVG: 2356000 -0.205098 -46.7715 20.2043 -46.8329 -47.6302 -85.7037 17.9677 -84.9111 7.45596 TIMING: 2356000 CPU: 7444.31, 0.00319716/step Wall: 7444.31, 0.00319716/step, 2.34813 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2356000 3988.0480 20434.5130 14456.9201 227.4136 -203456.1961 2671.0765 0.0000 0.0000 52133.5933 -109544.6316 299.6125 -161678.2249 -109177.1592 298.9645 169.2141 194.9456 759362.3127 -13.3707 -13.4598 PRESSURE: 2356200 -312.447 112.521 -74.3461 112.521 240.227 -280.795 -74.3466 -280.796 -193.508 GPRESSURE: 2356200 -291.534 144.438 -34.0169 45.3859 231.925 -207.845 -184.831 -243.499 -134.589 PRESSAVG: 2356200 20.9135 10.7117 10.589 10.7118 13.7286 -24.3079 10.5889 -24.3079 36.0267 GPRESSAVG: 2356200 20.2664 11.4909 10.4768 11.5242 14.1476 -26.0798 12.7623 -25.7847 35.4913 TIMING: 2356200 CPU: 7444.95, 0.00319637/step Wall: 7444.95, 0.00319637/step, 2.34738 hours remaining, 239.253906 MB of memory in use. ENERGY: 2356200 3976.1297 20474.2064 14466.2916 237.4348 -203237.4940 2451.7579 0.0000 0.0000 52177.8680 -109453.8057 299.8669 -161631.6736 -109091.6913 299.7241 -88.5759 -64.7324 759878.3268 23.5563 23.3018 LDB: ============= START OF LOAD BALANCING ============== 7457.35 LDB: ============== END OF LOAD BALANCING =============== 7457.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.36 LDB: ============= START OF LOAD BALANCING ============== 7457.67 LDB: Largest compute 7057 load 0.034965 is 17.8% of average load 0.195967 LDB: Average compute 0.004416 is 2.3% of average load 0.195967 LDB: TIME 7457.68 LOAD: AVG 0.195967 MAX 0.217306 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.5 MB LDB: TIME 7457.68 LOAD: AVG 0.195967 MAX 0.217306 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.703 MB LDB: TIME 7457.68 LOAD: AVG 0.195967 MAX 0.217306 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.703 MB LDB: ============== END OF LOAD BALANCING =============== 7457.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.68 PRESSURE: 2356400 7.8512 -57.0694 176.648 -57.0684 231.502 128.69 176.649 128.691 214.276 GPRESSURE: 2356400 -9.5141 -31.5407 93.5823 -165.654 369.482 6.23552 268.886 169.581 180.23 PRESSAVG: 2356400 14.5091 -9.14416 -11.8812 -9.14419 14.767 20.913 -11.8813 20.9131 -1.15352 GPRESSAVG: 2356400 15.8372 -8.8819 -12.1386 -9.74423 13.5797 22.2801 -12.2398 19.8421 -1.43518 TIMING: 2356400 CPU: 7445.6, 0.00323254/step Wall: 7445.6, 0.00323254/step, 2.37376 hours remaining, 237.843750 MB of memory in use. ENERGY: 2356400 3978.0569 20430.9350 14454.4278 262.5099 -203112.8775 2496.0489 0.0000 0.0000 51804.7163 -109686.1825 297.7224 -161490.8988 -109330.1567 299.0209 151.2097 180.0662 760908.6153 9.3742 9.3272 PRESSURE: 2356600 -57.7984 -146.94 12.9244 -146.939 -113.246 67.5108 12.9248 67.5111 183.674 GPRESSURE: 2356600 -67.5148 -104.099 40.3428 -106.327 -73.4569 39.3962 155.228 72.577 237.013 PRESSAVG: 2356600 9.68367 -6.99409 -19.6965 -6.99409 -32.8979 -12.1699 -19.6965 -12.1699 -9.57097 GPRESSAVG: 2356600 9.20862 -7.15825 -22.3804 -7.26588 -32.7206 -12.7659 -20.9635 -10.2567 -9.87638 TIMING: 2356600 CPU: 7446.23, 0.00317054/step Wall: 7446.23, 0.00317054/step, 2.32806 hours remaining, 237.843750 MB of memory in use. ENERGY: 2356600 3951.4900 20422.4915 14416.3925 246.5664 -203252.1459 2402.9563 0.0000 0.0000 52146.2736 -109665.9757 299.6854 -161812.2492 -109298.9072 298.9008 4.2100 32.0139 762516.7733 -10.9284 -11.1295 PRESSURE: 2356800 208.065 25.9005 -258.961 25.8999 236.278 -146.903 -258.961 -146.903 -217.788 GPRESSURE: 2356800 230.792 -85.1067 -202.225 -63.7759 290.188 -149.603 -243.693 -227.174 -212.939 PRESSAVG: 2356800 41.27 -50.5564 -9.51142 -50.5564 -66.065 -10.2301 -9.51147 -10.2301 -3.7576 GPRESSAVG: 2356800 40.2198 -50.853 -7.04225 -50.1115 -65.3723 -11.0676 -10.7526 -11.6125 -2.97143 TIMING: 2356800 CPU: 7446.88, 0.00320572/step Wall: 7446.88, 0.00320572/step, 2.35371 hours remaining, 237.843750 MB of memory in use. ENERGY: 2356800 3939.6057 20438.2484 14450.4757 233.6201 -203355.4826 2516.0847 0.0000 0.0000 52152.0092 -109625.4389 299.7183 -161777.4481 -109261.0913 298.9734 75.5181 102.6804 760887.3621 -9.5175 -9.3747 PRESSURE: 2357000 -329.384 -50.9969 34.4445 -50.9965 125.838 -45.3065 34.4434 -45.3068 -59.3123 GPRESSURE: 2357000 -254.515 14.2819 15.7581 6.15487 190.717 -7.9514 -23.7808 -37.7895 -118.889 PRESSAVG: 2357000 -32.219 -76.4339 4.84203 -76.4338 -9.31836 23.3269 4.84202 23.3269 8.0185 GPRESSAVG: 2357000 -31.603 -76.7695 4.57669 -75.3945 -9.95891 24.5538 6.9981 21.7246 8.2127 TIMING: 2357000 CPU: 7447.51, 0.00316222/step Wall: 7447.51, 0.00316222/step, 2.3216 hours remaining, 237.843750 MB of memory in use. ENERGY: 2357000 3992.4300 20410.9046 14426.8214 226.8219 -203211.8669 2518.5820 0.0000 0.0000 51868.6645 -109767.6425 298.0899 -161636.3069 -109407.1214 298.8227 -87.6195 -60.8955 762559.7087 -11.1730 -11.1164 PRESSURE: 2357200 -42.4692 -219.325 53.4519 -219.325 -40.3223 -139.733 53.4521 -139.733 -441.179 GPRESSURE: 2357200 -95.4879 -178.235 67.0888 -209.842 33.5642 -203.113 89.1 -32.908 -366.711 PRESSAVG: 2357200 -6.71462 -34.1872 3.31067 -34.1872 21.8473 -18.3095 3.31073 -18.3094 4.78232 GPRESSAVG: 2357200 -6.67002 -33.0976 3.8674 -35.9644 22.4899 -19.3759 1.72942 -15.6615 4.55493 TIMING: 2357200 CPU: 7448.15, 0.00318808/step Wall: 7448.15, 0.00318808/step, 2.34041 hours remaining, 237.843750 MB of memory in use. ENERGY: 2357200 3974.0783 20542.1780 14378.2717 236.5661 -203624.7520 2544.5916 0.0000 0.0000 52127.2348 -109821.8315 299.5759 -161949.0663 -109457.7460 298.7754 -174.6568 -142.8782 762016.5203 6.6383 6.7916 PRESSURE: 2357400 140.055 -259.25 -18.2416 -259.249 30.6684 180.732 -18.2414 180.732 -12.6431 GPRESSURE: 2357400 198.283 -205.654 23.0955 -179.286 15.9774 251.584 -13.6779 107.01 12.2213 PRESSAVG: 2357400 52.9209 -36.4672 -25.2533 -36.4672 4.00851 -32.7597 -25.2533 -32.7596 3.6132 GPRESSAVG: 2357400 52.3947 -36.6759 -27.8466 -36.3125 3.35926 -30.9249 -23.4338 -33.4232 4.37197 TIMING: 2357400 CPU: 7448.78, 0.00319114/step Wall: 7448.78, 0.00319114/step, 2.34248 hours remaining, 237.843750 MB of memory in use. ENERGY: 2357400 3947.6575 20482.9298 14394.1221 258.7538 -203571.3291 2625.0059 0.0000 0.0000 51788.6534 -110074.2067 297.6301 -161862.8600 -109719.7624 298.0810 52.6935 75.4940 761194.0523 20.1809 20.0420 PRESSURE: 2357600 -40.9387 51.3359 167.916 51.335 47.778 211.31 167.916 211.31 0.195762 GPRESSURE: 2357600 -9.46834 85.2437 164.766 -26.1603 99.3632 137.293 218.192 176.946 -13.1311 PRESSAVG: 2357600 1.28427 2.96174 48.0948 2.96173 11.2384 -1.78127 48.0948 -1.78127 -15.7511 GPRESSAVG: 2357600 2.10573 3.25562 49.7747 1.69051 12.6325 -1.12549 47.2422 -2.62144 -17.4634 TIMING: 2357600 CPU: 7449.43, 0.00321869/step Wall: 7449.43, 0.00321869/step, 2.36252 hours remaining, 237.843750 MB of memory in use. ENERGY: 2357600 3931.5294 20441.3154 14462.1691 252.8533 -203288.7212 2456.0248 0.0000 0.0000 51859.9830 -109884.8463 298.0400 -161744.8293 -109542.7853 298.6245 2.3450 25.5879 761990.4319 -1.0761 -0.9084 PRESSURE: 2357800 375.531 -63.6853 -46.4029 -63.6871 -53.4974 -123.92 -46.4033 -123.92 -145.44 GPRESSURE: 2357800 332.645 -79.8146 -59.2236 -48.4419 68.1748 -161.024 0.305371 -65.7351 -146.259 PRESSAVG: 2357800 16.0478 -88.466 -2.65973 -88.466 12.5659 -31.2042 -2.65965 -31.2042 10.7219 GPRESSAVG: 2357800 15.411 -88.4854 -3.15362 -86.2267 10.7897 -33.5009 -1.75202 -30.4712 12.8231 TIMING: 2357800 CPU: 7450.07, 0.00321782/step Wall: 7450.07, 0.00321781/step, 2.3617 hours remaining, 237.843750 MB of memory in use. ENERGY: 2357800 4020.8127 20567.1626 14387.1973 265.1012 -203662.7473 2764.3883 0.0000 0.0000 51900.9555 -109757.1296 298.2755 -161658.0851 -109403.4954 298.8141 58.8646 84.8538 759512.4107 13.1118 13.0079 PRESSURE: 2358000 -92.3578 33.2404 -31.9128 33.24 73.219 -173.335 -31.9142 -173.334 106.791 GPRESSURE: 2358000 -43.2324 138.143 23.7415 150.137 112.228 -201.936 21.1414 -87.9035 81.0699 PRESSAVG: 2358000 72.8074 -4.58215 12.9193 -4.58212 -41.5458 -10.0079 12.9194 -10.0079 -11.1052 GPRESSAVG: 2358000 72.7415 -5.83349 13.2582 -5.16863 -40.3424 -6.98102 11.2695 -9.39682 -12.3378 TIMING: 2358000 CPU: 7450.72, 0.0032392/step Wall: 7450.72, 0.0032392/step, 2.37722 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2358000 4042.3510 20578.5571 14426.8664 249.0473 -203603.1493 2480.6676 0.0000 0.0000 52084.1730 -109741.4870 299.3285 -161825.6599 -109389.2766 298.8026 29.2173 50.0220 761343.6335 6.7188 6.6871 PRESSURE: 2358200 113.276 31.7938 -166.037 31.7935 218.531 -145.809 -166.036 -145.81 313.449 GPRESSURE: 2358200 110.044 153.716 -142.1 69.5517 312.289 -169.851 -97.7484 -55.3071 324.106 PRESSAVG: 2358200 58.3803 -11.2864 -13.8604 -11.2863 11.6688 -55.1547 -13.8604 -55.1546 25.4592 GPRESSAVG: 2358200 59.0219 -10.612 -14.0231 -10.5384 11.6126 -57.4653 -14.2358 -56.4321 25.0675 TIMING: 2358200 CPU: 7451.36, 0.00322129/step Wall: 7451.36, 0.00322129/step, 2.36389 hours remaining, 237.843750 MB of memory in use. ENERGY: 2358200 3958.2054 20618.1408 14472.4908 264.0996 -203215.8413 2296.8768 0.0000 0.0000 52056.8044 -109549.2235 299.1712 -161606.0279 -109187.3389 299.1143 215.0854 248.8127 761722.3343 31.8361 31.9006 PRESSURE: 2358400 88.3988 96.6471 -29.9023 96.6471 -167.838 192.841 -29.9014 192.842 -33.3904 GPRESSURE: 2358400 116.444 12.8569 -76.8153 -4.92318 -160.006 177.233 -39.1363 238.391 8.37773 PRESSAVG: 2358400 18.1092 -7.37876 6.25849 -7.37869 -53.881 -0.709558 6.25848 -0.709539 -3.57695 GPRESSAVG: 2358400 18.1551 -8.06273 5.2792 -6.86559 -54.5689 -0.407648 7.68444 0.39687 -3.38078 TIMING: 2358400 CPU: 7452, 0.00320414/step Wall: 7452, 0.00320414/step, 2.35112 hours remaining, 237.843750 MB of memory in use. ENERGY: 2358400 4048.9449 20326.3989 14478.6102 277.1751 -203332.1247 2620.5686 0.0000 0.0000 51915.2010 -109665.2259 298.3574 -161580.4269 -109311.5107 299.1511 -37.6099 -11.7281 762256.0909 -13.1163 -13.2649 PRESSURE: 2358600 -197.525 149.624 61.2836 149.624 153.831 101.685 61.2839 101.686 -48.6291 GPRESSURE: 2358600 -188.062 204.704 111.893 169.466 108.689 116.998 24.7345 48.9505 66.5522 PRESSAVG: 2358600 48.0829 5.85054 -3.06619 5.85048 -13.3307 -22.306 -3.0662 -22.306 -3.65376 GPRESSAVG: 2358600 47.3799 6.55991 -2.6845 4.95607 -12.5262 -22.389 -4.4994 -23.0036 -4.12861 TIMING: 2358600 CPU: 7452.64, 0.00316812/step Wall: 7452.64, 0.00316812/step, 2.32452 hours remaining, 237.843750 MB of memory in use. ENERGY: 2358600 3953.3235 20492.7782 14432.9942 244.8686 -203019.0304 2405.5197 0.0000 0.0000 51975.3694 -109514.1767 298.7032 -161489.5462 -109155.8672 299.0598 -30.7746 -4.2736 763265.3562 10.3661 10.2417 PRESSURE: 2358800 -285.49 -123.293 224.456 -123.293 -280.006 -63.6259 224.457 -63.6265 -341.993 GPRESSURE: 2358800 -275.344 -181.636 206.764 -46.49 -167.089 -112.64 172.311 -44.2941 -389.311 PRESSAVG: 2358800 13.9614 -43.6536 10.514 -43.6536 10.0456 -28.6464 10.514 -28.6464 2.32899 GPRESSAVG: 2358800 14.4219 -42.6732 10.96 -46.3138 10.5323 -29.3555 10.9018 -27.827 1.21726 TIMING: 2358800 CPU: 7453.28, 0.00318979/step Wall: 7453.28, 0.00318979/step, 2.34024 hours remaining, 237.843750 MB of memory in use. ENERGY: 2358800 3976.6486 20585.5836 14385.2862 256.4720 -203125.4429 2532.4272 0.0000 0.0000 52108.0219 -109281.0035 299.4655 -161389.0254 -108924.1946 299.1161 -302.4965 -277.2482 761688.7910 8.7786 8.7238 PRESSURE: 2359000 241.316 -9.82749 -27.3856 -9.82692 -219.859 -244.101 -27.3848 -244.102 -65.299 GPRESSURE: 2359000 305.587 -77.0329 26.6297 -141.713 -233.872 -233.013 -46.8147 -274.892 -38.1276 PRESSAVG: 2359000 75.2144 32.8433 53.5196 32.8433 -91.628 37.7936 53.5197 37.7936 -14.0235 GPRESSAVG: 2359000 74.8876 28.2245 53.4351 36.168 -91.2135 38.4199 52.0828 37.7966 -13.551 TIMING: 2359000 CPU: 7453.91, 0.00319355/step Wall: 7453.91, 0.00319355/step, 2.34282 hours remaining, 237.843750 MB of memory in use. ENERGY: 2359000 3937.8499 20596.5499 14384.0699 226.8415 -203115.8801 2562.7518 0.0000 0.0000 52023.0144 -109384.8027 298.9770 -161407.8171 -109010.9837 299.4163 -14.6142 11.1957 762475.6691 -10.1457 -9.9590 PRESSURE: 2359200 229.603 -129.303 145.748 -129.303 389.082 -143.76 145.748 -143.759 288.309 GPRESSURE: 2359200 270.065 -218.867 135.45 -9.2822 485.4 -154.233 26.5396 -31.2739 229.136 PRESSAVG: 2359200 -10.1184 0.507251 -15.2177 0.507182 -3.73684 51.9269 -15.2177 51.9268 12.9461 GPRESSAVG: 2359200 -8.90517 4.07491 -14.7153 -1.96159 -4.97815 52.3721 -14.2654 51.7645 12.8072 TIMING: 2359200 CPU: 7454.55, 0.0031921/step Wall: 7454.55, 0.0031921/step, 2.34158 hours remaining, 237.843750 MB of memory in use. ENERGY: 2359200 3958.2921 20527.2268 14452.2619 266.7282 -203328.6948 2763.2755 0.0000 0.0000 51893.4467 -109467.4637 298.2324 -161360.9104 -109113.3935 299.0386 302.3313 328.2005 760806.2372 -0.3030 -0.3587 PRESSURE: 2359400 -174.825 0.369661 -44.7627 0.368779 135.67 101.761 -44.7625 101.76 184.342 GPRESSURE: 2359400 -79.6975 127.392 -77.8323 -31.3044 164.646 115.023 -14.7816 99.0178 139.039 PRESSAVG: 2359400 -26.818 -48.1323 -0.760001 -48.1323 6.41419 -22.4898 -0.760072 -22.4898 -3.5995 GPRESSAVG: 2359400 -27.6879 -48.1804 -1.20049 -47.3877 7.10285 -22.6809 -0.80744 -23.6835 -3.45945 TIMING: 2359400 CPU: 7455.2, 0.0032183/step Wall: 7455.2, 0.0032183/step, 2.36062 hours remaining, 237.843750 MB of memory in use. ENERGY: 2359400 3989.3343 20612.6106 14486.0577 250.9668 -203597.8033 2618.7151 0.0000 0.0000 52300.3620 -109339.7569 300.5709 -161640.1188 -108984.0001 299.5920 48.3957 74.6624 760186.8915 -8.0011 -8.0148 PRESSURE: 2359600 39.8966 105.459 -204.325 105.459 -23.8675 -97.8951 -204.325 -97.8954 -312.519 GPRESSURE: 2359600 39.8728 258.622 -167 60.3063 -73.6773 -114.418 -159.041 -93.7676 -187.208 PRESSAVG: 2359600 -6.71132 -5.66655 51.9791 -5.66658 -12.0357 -64.2279 51.9791 -64.2278 5.6568 GPRESSAVG: 2359600 -6.60834 -4.44669 51.4102 -5.3975 -13.5221 -62.9497 53.7223 -64.2588 6.72521 TIMING: 2359600 CPU: 7455.85, 0.00327711/step Wall: 7455.85, 0.00327711/step, 2.40358 hours remaining, 237.843750 MB of memory in use. ENERGY: 2359600 4071.8668 20411.2160 14446.4121 241.2900 -203312.8695 2646.7287 0.0000 0.0000 51899.6755 -109595.6803 298.2681 -161495.3558 -109244.1389 299.2833 -98.8299 -73.6710 761782.4357 -4.3634 -4.4684 PRESSURE: 2359800 358.875 -58.7782 -10.6255 -58.7779 -162.163 -22.5641 -10.6253 -22.5637 351.121 GPRESSURE: 2359800 414.155 67.8992 -23.2648 -55.289 -71.639 37.858 41.7079 -127.292 274.454 PRESSAVG: 2359800 20.369 -9.35081 -18.8785 -9.35082 -13.1404 -6.21477 -18.8785 -6.21487 -13.0301 GPRESSAVG: 2359800 19.992 -10.8097 -19.5711 -8.86211 -12.2363 -7.93499 -17.2956 -6.60904 -13.8376 TIMING: 2359800 CPU: 7456.5, 0.00321559/step Wall: 7456.5, 0.00321559/step, 2.35828 hours remaining, 237.843750 MB of memory in use. ENERGY: 2359800 4022.4133 20596.8968 14424.7034 247.6104 -203347.4229 2551.5410 0.0000 0.0000 51678.0524 -109826.2055 296.9945 -161504.2579 -109474.4114 298.8099 182.6110 205.6564 759790.4819 -1.9338 -2.0273 PRESSURE: 2360000 -96.247 118.37 120.165 118.371 -51.2657 -83.0931 120.165 -83.0941 -54.7532 GPRESSURE: 2360000 -73.817 132.064 124.125 4.50898 -112.183 -8.52958 53.8185 -136.077 79.1882 PRESSAVG: 2360000 33.9276 16.5149 26.6504 16.5149 22.4378 17.1882 26.6504 17.1882 1.09248 GPRESSAVG: 2360000 34.2075 18.356 25.3188 14.4941 23.0412 17.8945 26.3017 19.6748 0.639418 TIMING: 2360000 CPU: 7457.14, 0.00321004/step Wall: 7457.14, 0.00321004/step, 2.35403 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2360000 4106.0735 20499.5433 14351.5053 257.4607 -203464.4969 2605.7965 0.0000 0.0000 51983.3497 -109660.7680 298.7490 -161644.1177 -109296.9146 298.7174 -67.4220 -35.6040 759233.2322 19.1526 19.2961 PRESSURE: 2360200 -85.8373 111.6 155.144 111.6 -64.2657 207.598 155.143 207.598 50.4158 GPRESSURE: 2360200 -90.6461 31.9962 46.9355 10.1382 -31.584 180.588 188.989 227.266 112.185 PRESSAVG: 2360200 -13.6698 -61.7683 51.257 -61.7682 -15.1726 -48.1488 51.257 -48.1488 4.46451 GPRESSAVG: 2360200 -13.4534 -63.3041 51.8123 -61.1856 -16.2156 -49.365 49.7834 -47.6726 5.70675 TIMING: 2360200 CPU: 7457.78, 0.00323498/step Wall: 7457.78, 0.00323498/step, 2.37214 hours remaining, 237.843750 MB of memory in use. ENERGY: 2360200 3977.8924 20447.7771 14409.0384 252.5175 -203287.5961 2515.4028 0.0000 0.0000 52145.2270 -109539.7409 299.6793 -161684.9679 -109179.1075 298.4977 -33.2290 -3.3484 761404.0061 -8.1260 -7.9874 LDB: ============= START OF LOAD BALANCING ============== 7470.19 LDB: ============== END OF LOAD BALANCING =============== 7470.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7470.19 LDB: ============= START OF LOAD BALANCING ============== 7470.51 LDB: Largest compute 7025 load 0.033404 is 17.0% of average load 0.195957 LDB: Average compute 0.004402 is 2.2% of average load 0.195957 LDB: TIME 7470.52 LOAD: AVG 0.195957 MAX 0.219199 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 7470.52 LOAD: AVG 0.195957 MAX 0.219199 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: TIME 7470.52 LOAD: AVG 0.195957 MAX 0.218498 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: ============== END OF LOAD BALANCING =============== 7470.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7470.52 PRESSURE: 2360400 -93.5914 -137.873 -276.985 -137.873 -537.992 -205.709 -276.986 -205.707 -40.2896 GPRESSURE: 2360400 -118.531 -166.945 -172.543 -79.6964 -485.92 -192.804 -227.329 -231.413 5.76618 PRESSAVG: 2360400 24.9434 -46.5956 43.8539 -46.5956 -31.3724 -20.9143 43.8539 -20.9142 23.4989 GPRESSAVG: 2360400 24.2681 -45.5804 46.1871 -45.9812 -29.988 -19.0339 43.1798 -22.7628 22.9093 TIMING: 2360400 CPU: 7458.44, 0.00328855/step Wall: 7458.44, 0.00328855/step, 2.41124 hours remaining, 238.355469 MB of memory in use. ENERGY: 2360400 4049.1505 20441.4009 14392.9023 245.1441 -203187.2446 2430.0331 0.0000 0.0000 52098.4725 -109530.1412 299.4106 -161628.6137 -109170.4120 298.8842 -223.9577 -199.5617 761110.0424 5.6899 5.7298 PRESSURE: 2360600 -282.649 8.89261 89.4097 8.89243 -347.304 -87.4944 89.4096 -87.4947 -62.876 GPRESSURE: 2360600 -266.817 -25.796 126.605 34.3956 -249.191 -91.3986 191.948 9.55535 -87.4719 PRESSAVG: 2360600 53.5097 -36.6407 -24.2481 -36.6407 6.90035 -30.9239 -24.2481 -30.9239 13.8766 GPRESSAVG: 2360600 54.1951 -36.9246 -25.6582 -36.0128 6.36939 -32.3281 -21.7082 -28.7454 13.7187 TIMING: 2360600 CPU: 7459.08, 0.00319093/step Wall: 7459.08, 0.00319093/step, 2.33949 hours remaining, 238.558594 MB of memory in use. ENERGY: 2360600 4025.7755 20451.6564 14463.1021 250.1346 -203187.0273 2413.4601 0.0000 0.0000 52216.2758 -109366.6228 300.0877 -161582.8986 -108997.5477 299.2509 -230.9430 -201.1600 760962.8280 24.7622 24.7611 PRESSURE: 2360800 334.454 -128.975 37.607 -128.975 -189.252 77.9588 37.6068 77.9587 176.027 GPRESSURE: 2360800 331.706 -106.053 42.9033 -104.982 -78.9446 30.2053 91.4235 96.0782 142.115 PRESSAVG: 2360800 22.103 -34.9937 62.152 -34.9937 10.6258 -25.174 62.152 -25.174 -1.13293 GPRESSAVG: 2360800 21.5393 -35.9253 62.6071 -33.8471 10.821 -25.9744 58.3918 -25.1882 -0.681716 TIMING: 2360800 CPU: 7459.72, 0.00322336/step Wall: 7459.72, 0.00322336/step, 2.36308 hours remaining, 238.558594 MB of memory in use. ENERGY: 2360800 4055.6061 20473.1182 14443.3242 254.3952 -203658.8625 2902.5041 0.0000 0.0000 52339.4464 -109190.4684 300.7955 -161529.9148 -108829.6575 299.7750 107.0763 131.6256 761475.5745 10.5320 10.5595 PRESSURE: 2361000 78.6588 119.372 -270.725 119.371 227.018 -48.4067 -270.726 -48.4072 407.719 GPRESSURE: 2361000 199.48 151.962 -313.544 141.914 97.7396 -51.098 -226.015 -34.6471 492.663 PRESSAVG: 2361000 -45.2011 16.5868 4.53538 16.5868 -0.0870046 14.715 4.53547 14.715 -12.8204 GPRESSAVG: 2361000 -44.687 17.3726 4.95494 15.4754 -0.716012 15.6786 5.7003 12.4803 -12.3534 TIMING: 2361000 CPU: 7460.37, 0.00322605/step Wall: 7460.37, 0.00322605/step, 2.36487 hours remaining, 238.558594 MB of memory in use. ENERGY: 2361000 4088.5119 20455.6826 14471.8446 229.6329 -203499.2404 2763.7030 0.0000 0.0000 52152.5619 -109337.3036 299.7215 -161489.8654 -108981.5355 299.7298 237.7987 263.2940 761041.1123 -19.3695 -19.2521 PRESSURE: 2361200 -192.683 91.3366 270.953 91.3363 -165.497 9.27075 270.954 9.27203 199.79 GPRESSURE: 2361200 -95.0761 -42.1458 249.647 37.2916 -88.2821 -7.15277 202.358 98.4268 110.193 PRESSAVG: 2361200 34.8689 -35.8072 20.0224 -35.8072 -18.9701 -60.6709 20.0224 -60.6709 -18.9877 GPRESSAVG: 2361200 33.9541 -36.8902 20.0371 -35.013 -17.9994 -61.3778 19.5219 -58.6574 -18.4194 TIMING: 2361200 CPU: 7461.01, 0.00317469/step Wall: 7461.01, 0.00317469/step, 2.32705 hours remaining, 238.558594 MB of memory in use. ENERGY: 2361200 3980.0691 20453.0683 14466.8565 273.7566 -203176.0789 2490.9084 0.0000 0.0000 52173.0115 -109338.4086 299.8390 -161511.4201 -108986.6542 299.9928 -52.7969 -24.3885 761089.3023 -1.0296 -0.8216 PRESSURE: 2361400 -181.644 -93.9031 -74.1394 -93.9032 -262.756 73.1349 -74.1396 73.1344 192.848 GPRESSURE: 2361400 -158.218 61.2305 -56.5483 -133.485 -298.483 91.4307 -72.9373 107.228 293.399 PRESSAVG: 2361400 28.0248 -36.5553 21.9524 -36.5552 -43.9166 -71.0223 21.9524 -71.0223 -5.87065 GPRESSAVG: 2361400 29.0734 -35.9231 21.5151 -37.2315 -43.8052 -69.5716 20.2651 -72.6132 -6.71552 TIMING: 2361400 CPU: 7461.64, 0.00318052/step Wall: 7461.64, 0.00318052/step, 2.33114 hours remaining, 238.558594 MB of memory in use. ENERGY: 2361400 3877.7144 20590.8375 14456.4902 257.8845 -202893.8951 2529.0390 0.0000 0.0000 51767.5339 -109414.3956 297.5087 -161181.9295 -109054.0299 299.4946 -83.8506 -54.4339 761202.6778 -7.2542 -7.1491 PRESSURE: 2361600 137.744 -53.0051 16.374 -53.0057 77.9865 247.348 16.3736 247.347 56.0595 GPRESSURE: 2361600 178.163 -117.41 -4.51279 -21.6066 139.025 262.723 123.836 201.444 59.9274 PRESSAVG: 2361600 9.77341 0.919706 -22.2346 0.919785 -3.11898 23.3671 -22.2346 23.3671 -6.30398 GPRESSAVG: 2361600 10.6878 0.325003 -22.1826 1.41566 -3.68495 23.1473 -19.0622 23.0695 -6.33006 TIMING: 2361600 CPU: 7462.28, 0.00318039/step Wall: 7462.28, 0.00318039/step, 2.33087 hours remaining, 238.558594 MB of memory in use. ENERGY: 2361600 3936.2356 20435.4228 14417.3043 254.8836 -203309.9394 2595.3668 0.0000 0.0000 52006.9832 -109663.7430 298.8848 -161670.7263 -109306.5384 298.5002 90.5966 125.7049 761414.0630 0.1168 0.2243 PRESSURE: 2361800 48.5 -99.3332 87.0504 -99.3333 -197.855 -128.236 87.0507 -128.236 42.266 GPRESSURE: 2361800 36.4822 -90.3624 40.2153 26.398 -115.811 -39.5255 75.8529 -51.8062 67.78 PRESSAVG: 2361800 14.6065 5.20626 5.09215 5.20629 8.61063 -9.87101 5.09221 -9.87101 1.36518 GPRESSAVG: 2361800 13.3359 3.81974 4.56578 7.0967 9.2476 -9.18068 5.77565 -11.9168 1.10921 TIMING: 2361800 CPU: 7462.91, 0.00318197/step Wall: 7462.91, 0.00318197/step, 2.33186 hours remaining, 238.558594 MB of memory in use. ENERGY: 2361800 3964.8514 20337.4482 14446.7997 248.4529 -203172.7838 2502.4046 0.0000 0.0000 51858.5307 -109814.2963 298.0317 -161672.8270 -109455.6378 298.2883 -35.6963 -3.8496 759541.0783 8.1941 7.8976 PRESSURE: 2362000 -44.7204 -11.8912 247.42 -11.8914 240.388 61.2216 247.421 61.2218 149.588 GPRESSURE: 2362000 11.6932 -39.4059 250.885 33.2921 232.099 5.44405 161.291 26.6049 172.989 PRESSAVG: 2362000 39.8727 43.9548 -0.442667 43.9548 -54.7418 -35.684 -0.44266 -35.684 2.13399 GPRESSAVG: 2362000 40.2954 45.025 -0.641021 41.7832 -56.6935 -37.3712 0.313116 -33.821 3.90708 TIMING: 2362000 CPU: 7463.55, 0.00320148/step Wall: 7463.55, 0.00320148/step, 2.34597 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2362000 3941.6717 20320.8173 14496.5372 228.8903 -203300.7351 2416.3183 0.0000 0.0000 52133.3030 -109763.1972 299.6108 -161896.5002 -109396.6008 298.4333 115.0851 138.9271 760823.2864 -4.2451 -4.1637 PRESSURE: 2362200 146.565 -29.5171 52.1546 -29.5177 -350.979 -169.15 52.1542 -169.15 290.685 GPRESSURE: 2362200 87.6924 79.3142 112.628 -44.523 -246.802 -179.372 -114.018 -150.26 328.095 PRESSAVG: 2362200 15.4276 17.3177 41.2405 17.3177 -23.8475 -15.0295 41.2405 -15.0296 8.96818 GPRESSAVG: 2362200 14.8223 17.5506 39.9773 16.7548 -22.4708 -14.5116 39.7053 -17.7823 7.97502 TIMING: 2362200 CPU: 7464.19, 0.00319521/step Wall: 7464.19, 0.00319521/step, 2.3412 hours remaining, 238.558594 MB of memory in use. ENERGY: 2362200 3975.0960 20496.7676 14383.1813 234.1376 -203413.6502 2747.5056 0.0000 0.0000 51941.8149 -109635.1472 298.5103 -161576.9621 -109291.8330 299.2214 28.7570 56.3285 760030.0109 0.1827 0.1088 PRESSURE: 2362400 82.8571 -131.427 119.528 -131.428 43.4131 -136.923 119.529 -136.924 282.432 GPRESSURE: 2362400 159.263 -141.932 125.742 -64.7687 28.1598 -179.141 126.351 -99.7886 305.706 PRESSAVG: 2362400 86.5651 47.0748 15.8552 47.0748 -57.6359 -24.9188 15.8552 -24.9188 -15.8526 GPRESSAVG: 2362400 86.7235 47.9413 16.2746 47.0405 -57.442 -24.1638 14.2219 -22.4059 -16.3567 TIMING: 2362400 CPU: 7464.84, 0.00321573/step Wall: 7464.84, 0.00321573/step, 2.35606 hours remaining, 238.558594 MB of memory in use. ENERGY: 2362400 3900.8620 20466.5844 14400.5628 228.0714 -203179.8238 2453.3144 0.0000 0.0000 51646.0892 -110084.3396 296.8108 -161730.4288 -109723.8460 297.9300 136.2340 164.3762 760673.7583 4.3589 4.3083 PRESSURE: 2362600 137.574 120.97 24.4641 120.97 -346.851 36.4667 24.4642 36.4671 -382.568 GPRESSURE: 2362600 140.764 146.181 -25.1182 208.306 -245.027 8.98436 270.845 70.6058 -407.512 PRESSAVG: 2362600 64.1632 30.2949 8.74566 30.2949 -68.8441 -31.9596 8.7457 -31.9597 16.3693 GPRESSAVG: 2362600 64.9012 31.0813 9.88543 30.5191 -69.3416 -32.392 9.76131 -32.9858 16.258 TIMING: 2362600 CPU: 7465.48, 0.00320375/step Wall: 7465.48, 0.00320375/step, 2.34711 hours remaining, 238.558594 MB of memory in use. ENERGY: 2362600 4021.2647 20426.3381 14529.6620 240.8085 -203809.9836 2734.3557 0.0000 0.0000 51853.7122 -110003.8424 298.0040 -161857.5546 -109642.4620 297.9360 -197.2817 -170.5918 762114.9825 3.8961 3.9392 PRESSURE: 2362800 92.3845 135.555 24.375 135.554 115.338 241.964 24.3744 241.964 -263.735 GPRESSURE: 2362800 34.5816 111.703 -0.523584 91.2844 175.799 294.422 -18.0905 289.27 -176.006 PRESSAVG: 2362800 68.8565 -19.8375 25.7073 -19.8374 -93.8433 29.4573 25.7074 29.4573 15.4963 GPRESSAVG: 2362800 67.7618 -23.08 26.7052 -19.759 -93.2655 29.1822 24.1011 30.9741 15.7497 TIMING: 2362800 CPU: 7466.12, 0.00321646/step Wall: 7466.12, 0.00321646/step, 2.35623 hours remaining, 238.558594 MB of memory in use. ENERGY: 2362800 3989.9061 20540.2491 14429.9275 232.1796 -203338.2047 2491.1143 0.0000 0.0000 51939.5914 -109715.2367 298.4975 -161654.8281 -109354.5664 298.5392 -18.6707 11.4580 760881.3060 -3.1635 -3.2514 PRESSURE: 2363000 -38.1173 -73.7636 -200.243 -73.7632 -182.539 79.6414 -200.243 79.6412 99.0833 GPRESSURE: 2363000 81.4574 -75.55 -128.792 -61.7998 -207.675 19.6685 -119.205 -82.3255 118.758 PRESSAVG: 2363000 71.2445 -10.5227 -50.1143 -10.5226 -12.1583 -39.7882 -50.1143 -39.7883 -25.1355 GPRESSAVG: 2363000 71.718 -10.405 -51.952 -11.3752 -11.8741 -39.1956 -47.7255 -40.1187 -25.5794 TIMING: 2363000 CPU: 7466.77, 0.00323079/step Wall: 7466.77, 0.00323079/step, 2.36655 hours remaining, 238.558594 MB of memory in use. ENERGY: 2363000 3985.6298 20334.8558 14442.4000 250.2977 -203551.1689 2666.5433 0.0000 0.0000 51924.0912 -109947.3511 298.4085 -161871.4423 -109586.4474 299.2259 -40.5243 -2.4868 759488.5011 11.3169 11.4215 PRESSURE: 2363200 -197.092 27.4835 -15.5466 27.4841 -162.661 92.6415 -15.5474 92.6406 -106.159 GPRESSURE: 2363200 -135.145 54.8184 -76.7613 138.809 -164.367 87.4757 42.0551 -12.2877 -71.2983 PRESSAVG: 2363200 -48.3213 -22.7385 -18.2047 -22.7386 24.0385 -22.0529 -18.2047 -22.0529 2.42215 GPRESSAVG: 2363200 -49.4046 -19.2443 -17.0592 -22.3936 22.7694 -22.4056 -18.9571 -23.1447 4.13627 TIMING: 2363200 CPU: 7467.41, 0.00320142/step Wall: 7467.41, 0.00320142/step, 2.34487 hours remaining, 238.558594 MB of memory in use. ENERGY: 2363200 4001.5370 20537.5257 14407.6283 263.8905 -203299.2943 2415.4454 0.0000 0.0000 51929.0100 -109744.2574 298.4367 -161673.2674 -109387.5832 298.2902 -155.3037 -123.6036 760537.5714 -7.2869 -7.4996 PRESSURE: 2363400 -134.284 -74.3035 135.247 -74.3026 -330.001 -326.919 135.247 -326.918 -251.923 GPRESSURE: 2363400 -54.1322 -143.342 64.6491 -76.3169 -345.036 -367.746 58.7497 -176.027 -241.925 PRESSAVG: 2363400 -17.7329 -36.1501 -39.5173 -36.15 10.4387 12.5954 -39.5174 12.5955 -12.0214 GPRESSAVG: 2363400 -17.6628 -38.1766 -40.5598 -34.7858 12.3984 13.4558 -39.9362 12.9497 -13.2497 TIMING: 2363400 CPU: 7468.05, 0.00321563/step Wall: 7468.05, 0.00321563/step, 2.35509 hours remaining, 238.558594 MB of memory in use. ENERGY: 2363400 3983.8198 20456.6725 14440.1550 246.6019 -202729.4874 2072.4397 0.0000 0.0000 51958.3047 -109571.4937 298.6051 -161529.7984 -109206.8987 298.6515 -238.7361 -213.6977 761676.4368 -6.4385 -6.1714 PRESSURE: 2363600 196.805 136.105 -18.9709 136.106 -163.837 45.2391 -18.9715 45.2383 -289.529 GPRESSURE: 2363600 216.472 231.084 7.33515 234.683 -181.205 -27.93 132.505 164.921 -218.313 PRESSAVG: 2363600 81.3717 3.81749 -31.0457 3.81751 -38.557 -1.07664 -31.0457 -1.07671 -25.3385 GPRESSAVG: 2363600 81.877 5.48942 -30.3266 3.58489 -38.9717 0.173673 -32.8 -2.15133 -25.5983 TIMING: 2363600 CPU: 7468.7, 0.00323633/step Wall: 7468.7, 0.00323633/step, 2.37007 hours remaining, 238.558594 MB of memory in use. ENERGY: 2363600 3969.4435 20590.4136 14434.5357 231.6865 -203148.3222 2337.6206 0.0000 0.0000 52042.6059 -109542.0165 299.0896 -161584.6224 -109182.8789 299.1952 -85.5204 -61.0154 759152.2701 5.8254 5.7690 PRESSURE: 2363800 43.7683 -156.642 102.482 -156.642 199.287 34.7287 102.482 34.728 346.187 GPRESSURE: 2363800 140.589 -197.972 148.766 -97.0475 147.353 50.1714 111.582 120.846 384.071 PRESSAVG: 2363800 17.1373 -33.8742 4.16577 -33.8742 28.9289 28.3409 4.16575 28.341 -16.0359 GPRESSAVG: 2363800 16.3613 -34.581 4.08579 -34.3107 28.662 28.1136 6.5897 29.0448 -15.4943 TIMING: 2363800 CPU: 7469.34, 0.00321929/step Wall: 7469.34, 0.00321929/step, 2.35742 hours remaining, 238.558594 MB of memory in use. ENERGY: 2363800 3932.1000 20455.1448 14403.4831 252.1779 -202952.7393 2333.1003 0.0000 0.0000 52135.0464 -109441.6868 299.6208 -161576.7332 -109078.0287 299.3359 196.4142 224.0042 761008.5572 10.0101 9.8430 PRESSURE: 2364000 -126.987 100.711 149.437 100.711 -151.297 125.833 149.437 125.833 155.048 GPRESSURE: 2364000 -147.238 97.8872 9.56968 102.422 -92.0343 71.5895 117.592 129.637 198.862 PRESSAVG: 2364000 -0.231846 -45.9068 -1.30213 -45.9069 -6.21153 -20.1746 -1.30211 -20.1745 -9.58167 GPRESSAVG: 2364000 1.45312 -47.5991 -0.730942 -45.8932 -8.17683 -21.8562 -4.3053 -19.6033 -9.59533 TIMING: 2364000 CPU: 7469.99, 0.00324258/step Wall: 7469.99, 0.00324257/step, 2.37428 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2364000 3974.9220 20813.9341 14442.3769 236.3672 -203152.1528 2214.0803 0.0000 0.0000 52166.3687 -109304.1035 299.8008 -161470.4723 -108948.4298 299.4921 -41.0788 -13.4699 761343.7056 -5.3417 -5.4397 PRESSURE: 2364200 -78.3171 -1.12125 126.27 -1.12217 -104.313 277.033 126.269 277.034 114.333 GPRESSURE: 2364200 -30.9198 65.526 32.3002 -191.662 -11.0958 279.5 69.5881 126.705 64.5295 PRESSAVG: 2364200 6.68215 -9.41249 -0.864147 -9.41252 8.58837 -39.5501 -0.86421 -39.55 18.9001 GPRESSAVG: 2364200 5.68789 -7.31609 -0.899071 -10.1739 9.17448 -40.3264 -1.66334 -38.9705 19.1954 TIMING: 2364200 CPU: 7470.63, 0.00321666/step Wall: 7470.63, 0.00321666/step, 2.35513 hours remaining, 238.558594 MB of memory in use. ENERGY: 2364200 3963.5352 20605.5684 14389.0147 251.3652 -202735.3070 2186.8752 0.0000 0.0000 52104.8345 -109234.1138 299.4472 -161338.9483 -108877.6069 299.7504 -22.7658 7.5046 760265.3036 11.3902 11.3526 LDB: ============= START OF LOAD BALANCING ============== 7483.04 LDB: ============== END OF LOAD BALANCING =============== 7483.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7483.04 LDB: ============= START OF LOAD BALANCING ============== 7483.36 LDB: Largest compute 7034 load 0.037076 is 18.9% of average load 0.196029 LDB: Average compute 0.004403 is 2.2% of average load 0.196029 LDB: TIME 7483.36 LOAD: AVG 0.196029 MAX 0.217483 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7483.36 LOAD: AVG 0.196029 MAX 0.217483 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 7483.36 LOAD: AVG 0.196029 MAX 0.217483 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 7483.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7483.37 PRESSURE: 2364400 -245.325 172.039 -76.7738 172.039 -504.454 75.0567 -76.7749 75.0557 -327.216 GPRESSURE: 2364400 -218.027 189.582 5.21396 118.568 -409.321 78.5528 -139.536 -68.7139 -358.333 PRESSAVG: 2364400 -11.9404 47.9952 -22.1107 47.9952 -15.3371 19.2549 -22.1107 19.2548 -9.57069 GPRESSAVG: 2364400 -11.8522 46.8683 -22.9052 48.6847 -15.1209 19.2333 -19.8387 17.823 -9.78439 TIMING: 2364400 CPU: 7471.29, 0.00327319/step Wall: 7471.29, 0.00327319/step, 2.39634 hours remaining, 238.921875 MB of memory in use. ENERGY: 2364400 4001.6232 20495.0396 14389.9873 248.0042 -202145.6730 1868.0853 0.0000 0.0000 51962.8121 -109180.1213 298.6310 -161142.9335 -108811.1729 299.9549 -358.9982 -328.5601 760486.5940 -12.2827 -12.2525 PRESSURE: 2364600 198.665 -13.6855 8.78444 -13.685 43.6654 -48.1663 8.78429 -48.1671 -403.777 GPRESSURE: 2364600 164.065 21.408 -73.1109 25.4472 149.505 20.3043 201.259 -36.6016 -396.885 PRESSAVG: 2364600 76.0033 -19.0751 61.1663 -19.0752 -35.3069 -20.915 61.1662 -20.9148 -5.09029 GPRESSAVG: 2364600 75.4969 -19.8084 62.6643 -18.6435 -35.9712 -20.1561 60.0287 -21.965 -5.00292 TIMING: 2364600 CPU: 7471.93, 0.0032068/step Wall: 7471.93, 0.0032068/step, 2.34756 hours remaining, 239.125000 MB of memory in use. ENERGY: 2364600 4024.4013 20406.2426 14407.0585 239.9574 -202650.8223 2202.9734 0.0000 0.0000 52348.6098 -109021.5795 300.8482 -161370.1893 -108652.8639 300.5519 -53.8155 -27.7716 760516.6588 11.8687 11.5076 PRESSURE: 2364800 52.7597 17.0507 145.281 17.0511 -71.3745 142.961 145.281 142.962 -687.556 GPRESSURE: 2364800 92.5907 -28.5215 117.465 24.505 -71.092 139.27 271.66 297.35 -642.797 PRESSAVG: 2364800 87.793 -13.2777 48.334 -13.2778 -64.8578 -30.7855 48.334 -30.7855 -9.06146 GPRESSAVG: 2364800 88.1418 -11.5105 46.887 -15.2579 -64.4273 -31.4598 49.3318 -27.3586 -9.30906 TIMING: 2364800 CPU: 7472.57, 0.00320711/step Wall: 7472.57, 0.00320711/step, 2.3476 hours remaining, 239.125000 MB of memory in use. ENERGY: 2364800 4076.0161 20595.6574 14367.8733 237.9988 -202982.9884 2406.2190 0.0000 0.0000 52301.5784 -108997.6454 300.5779 -161299.2238 -108645.7425 300.2373 -235.3902 -207.0995 761091.7887 4.6246 4.8018 PRESSURE: 2365000 61.2973 -72.9811 202.527 -72.981 -122.925 -104.956 202.527 -104.957 -179.894 GPRESSURE: 2365000 60.5113 -27.5508 154.809 -73.2216 -100.556 -27.8122 91.3003 -176.812 -118.929 PRESSAVG: 2365000 13.3157 -17.4992 54.9583 -17.4992 -23.6303 -2.63579 54.9583 -2.63571 14.446 GPRESSAVG: 2365000 14.3669 -17.5937 54.5924 -17.6643 -23.9451 -1.36049 55.6836 -3.19348 14.2221 TIMING: 2365000 CPU: 7473.21, 0.00320537/step Wall: 7473.21, 0.00320537/step, 2.34616 hours remaining, 239.125000 MB of memory in use. ENERGY: 2365000 3971.2640 20655.4106 14466.8796 250.2885 -203257.4416 2583.3615 0.0000 0.0000 52082.2727 -109247.9646 299.3175 -161330.2373 -108895.5907 299.9653 -80.5075 -52.9913 760762.4858 1.3771 1.5479 PRESSURE: 2365200 136.638 258.992 -164.542 258.992 257.934 159.914 -164.542 159.913 -434.802 GPRESSURE: 2365200 188.543 195.49 -105.872 180.826 351.304 80.4526 -168.234 161.451 -484.783 PRESSAVG: 2365200 -10.0624 -9.76123 2.41304 -9.76127 -10.1471 -1.178 2.41307 -1.17796 8.43258 GPRESSAVG: 2365200 -10.4268 -9.87723 2.6366 -9.80612 -10.4072 -0.668272 2.05953 -2.48475 9.41729 TIMING: 2365200 CPU: 7473.85, 0.00320484/step Wall: 7473.85, 0.00320484/step, 2.34559 hours remaining, 239.125000 MB of memory in use. ENERGY: 2365200 4005.0501 20390.0525 14425.4410 270.1366 -203222.3074 2557.1952 0.0000 0.0000 52229.5258 -109344.9063 300.1638 -161574.4321 -108988.7469 299.7576 -13.4101 18.3548 761495.7417 -3.9256 -3.8056 PRESSURE: 2365400 296.767 7.78053 -76.1942 7.78122 -201.733 -99.0877 -76.1946 -99.0875 -20.8637 GPRESSURE: 2365400 370.736 -9.88698 -157.894 10.3315 -188.481 -95.1269 47.4131 -234.618 -18.1463 PRESSAVG: 2365400 67.9013 23.0751 30.1134 23.075 -97.0451 1.8794 30.1134 1.87936 -12.7061 GPRESSAVG: 2365400 67.4511 23.8555 31.1861 22.8706 -95.3382 -0.11951 29.9537 3.25393 -13.3548 TIMING: 2365400 CPU: 7474.49, 0.00319226/step Wall: 7474.49, 0.00319226/step, 2.3362 hours remaining, 239.125000 MB of memory in use. ENERGY: 2365400 3941.6566 20427.8460 14394.4451 225.9510 -202873.6174 2103.7921 0.0000 0.0000 52250.5628 -109529.3639 300.2847 -161779.9267 -109160.2890 299.2699 24.7236 54.7030 761451.4400 -13.9500 -13.7473 PRESSURE: 2365600 28.2092 -123.795 -11.5487 -123.795 -141.215 92.2833 -11.5479 92.2831 -309.666 GPRESSURE: 2365600 54.406 -96.9923 -54.275 -107.132 -99.7974 178.339 -28.7231 -41.2491 -274.141 PRESSAVG: 2365600 32.397 -43.0425 28.644 -43.0425 -54.6546 -23.9816 28.644 -23.9816 -18.174 GPRESSAVG: 2365600 33.6185 -43.0716 27.9835 -42.1788 -56.9858 -21.4643 27.8906 -25.2179 -17.0011 TIMING: 2365600 CPU: 7475.13, 0.00320365/step Wall: 7475.13, 0.00320365/step, 2.34436 hours remaining, 239.125000 MB of memory in use. ENERGY: 2365600 4011.4387 20407.0495 14390.2576 242.7869 -203239.1683 2297.9356 0.0000 0.0000 52376.0580 -109513.6421 301.0059 -161889.7002 -109143.3532 299.2485 -140.8905 -106.5108 760346.0046 -13.4772 -13.4562 PRESSURE: 2365800 279.963 11.3036 374.57 11.3033 166.715 -52.7997 374.571 -52.8004 346.47 GPRESSURE: 2365800 271.436 123.93 374.801 -15.8401 214.372 6.8807 253.354 -112.373 395.163 PRESSAVG: 2365800 35.2864 -64.6999 13.4415 -64.6998 37.4066 32.7273 13.4415 32.7272 31.6594 GPRESSAVG: 2365800 34.2827 -64.6665 13.357 -65.1099 40.153 32.0332 14.4532 34.0641 30.3459 TIMING: 2365800 CPU: 7475.77, 0.00319987/step Wall: 7475.77, 0.00319987/step, 2.34141 hours remaining, 239.125000 MB of memory in use. ENERGY: 2365800 3966.8122 20541.8355 14519.0082 251.6184 -203577.9882 2745.9850 0.0000 0.0000 52073.6601 -109479.0688 299.2680 -161552.7289 -109127.4490 299.0372 264.3829 293.6571 759842.5263 34.7841 34.9272 PRESSURE: 2366000 91.0848 -41.0047 17.8491 -41.0042 135.669 66.7576 17.8491 66.758 -12.5948 GPRESSURE: 2366000 191.052 -139.596 21.9741 37.3846 134.604 28.0858 50.0021 -0.702602 -22.0651 PRESSAVG: 2366000 -13.741 -1.0938 -19.3351 -1.09382 -5.27453 21.9074 -19.335 21.9074 2.61555 GPRESSAVG: 2366000 -12.7617 -1.87301 -17.7047 -0.0849619 -6.13486 20.21 -21.7581 20.5181 3.1554 TIMING: 2366000 CPU: 7476.41, 0.00320565/step Wall: 7476.41, 0.00320565/step, 2.34546 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2366000 3981.0227 20401.7185 14409.8251 254.1699 -203509.2009 2990.2949 0.0000 0.0000 51992.3271 -109479.8428 298.8006 -161472.1699 -109122.6588 298.6158 71.3863 101.1968 763611.3448 -5.4666 -5.2471 PRESSURE: 2366200 -4.82523 -24.2051 -6.92879 -24.2059 -71.8831 -256.776 -6.92877 -256.775 176.194 GPRESSURE: 2366200 69.3176 -21.492 14.3627 -12.5983 -67.542 -230.657 -122.115 -110.531 183.604 PRESSAVG: 2366200 7.91866 -17.8502 21.7735 -17.8502 22.7667 39.8454 21.7736 39.8454 -16.44 GPRESSAVG: 2366200 8.036 -18.3302 20.1357 -16.8215 22.5446 39.4939 22.6986 43.1398 -16.3692 TIMING: 2366200 CPU: 7477.05, 0.00320396/step Wall: 7477.05, 0.00320396/step, 2.34406 hours remaining, 239.125000 MB of memory in use. ENERGY: 2366200 3996.8383 20448.1699 14460.3474 255.5163 -202834.3778 2402.0323 0.0000 0.0000 51975.1290 -109296.3446 298.7018 -161271.4736 -108928.9999 299.3844 33.1620 61.7931 763115.7946 4.7484 4.7371 PRESSURE: 2366400 227.098 50.2603 14.9643 50.2602 -43.0181 -330.989 14.9653 -330.989 46.9816 GPRESSURE: 2366400 220.357 67.6997 -55.7175 -48.0045 49.6224 -217.398 -1.51281 -397.598 53.2238 PRESSAVG: 2366400 29.2453 -55.5229 16.3156 -55.5229 -2.95826 -19.2232 16.3156 -19.2232 -18.4681 GPRESSAVG: 2366400 27.7477 -54.0313 16.7036 -58.2554 -3.13721 -17.5551 17.6608 -20.7368 -16.8885 TIMING: 2366400 CPU: 7477.7, 0.00321045/step Wall: 7477.7, 0.00321045/step, 2.34862 hours remaining, 239.125000 MB of memory in use. ENERGY: 2366400 3908.2012 20504.0624 14399.8984 244.1160 -203250.3894 2689.7692 0.0000 0.0000 52070.3586 -109433.9836 299.2491 -161504.3423 -109066.1068 299.1091 77.0205 107.7345 762839.3250 2.6063 2.5740 PRESSURE: 2366600 45.68 224.712 149.684 224.711 192.591 -18.7135 149.685 -18.7124 65.3595 GPRESSURE: 2366600 147.05 202.642 123.756 311.384 211.994 -53.2109 92.8397 33.361 47.1185 PRESSAVG: 2366600 6.0497 -45.8172 5.74616 -45.8172 -4.86488 21.7015 5.74618 21.7015 5.34901 GPRESSAVG: 2366600 7.20585 -47.9616 6.05693 -43.2369 -4.41289 20.9728 5.02854 22.5446 3.85604 TIMING: 2366600 CPU: 7478.34, 0.00320713/step Wall: 7478.34, 0.00320713/step, 2.34602 hours remaining, 239.125000 MB of memory in use. ENERGY: 2366600 4056.6812 20486.6064 14391.6693 234.0663 -203250.0679 2667.4689 0.0000 0.0000 51851.7983 -109561.7776 297.9930 -161413.5759 -109197.9980 298.8075 101.2103 135.3875 761857.6746 2.1779 2.2163 PRESSURE: 2366800 491.901 -210.647 -131.33 -210.647 125.222 -26.4161 -131.331 -26.4167 189.27 GPRESSURE: 2366800 516.963 -234.273 -95.4921 -100.675 163.314 4.81528 -57.6522 -59.4488 223.457 PRESSAVG: 2366800 37.5008 -43.6238 32.0483 -43.6239 8.43061 26.0541 32.0484 26.054 -5.71389 GPRESSAVG: 2366800 37.7493 -43.3848 33.1951 -45.0454 7.52354 27.2883 32.8071 25.245 -4.71635 TIMING: 2366800 CPU: 7478.98, 0.00321206/step Wall: 7478.98, 0.00321206/step, 2.34944 hours remaining, 239.125000 MB of memory in use. ENERGY: 2366800 3932.6723 20519.6124 14447.7476 243.8887 -203601.8478 2930.2825 0.0000 0.0000 51971.6042 -109556.0402 298.6815 -161527.6444 -109187.8538 298.8261 268.7977 301.2447 761931.2437 13.4058 13.5188 PRESSURE: 2367000 147.086 -23.9337 10.4657 -23.9333 -44.191 -287.71 10.4661 -287.71 -487.231 GPRESSURE: 2367000 197.735 -37.2208 89.1499 -62.086 -4.18701 -299.556 90.8515 -216.378 -494.623 PRESSAVG: 2367000 8.36523 -21.4869 22.4308 -21.4869 -2.51565 5.65054 22.4308 5.65061 -3.85855 GPRESSAVG: 2367000 8.99441 -19.2305 21.5522 -22.9966 -2.49603 5.98388 21.6144 5.10478 -4.61022 TIMING: 2367000 CPU: 7479.62, 0.00318976/step Wall: 7479.62, 0.00318975/step, 2.33295 hours remaining, 239.125000 MB of memory in use. ENERGY: 2367000 3974.2098 20415.6167 14393.4258 253.0061 -202957.7023 2309.3661 0.0000 0.0000 52037.9643 -109574.1136 299.0629 -161612.0778 -109207.1109 299.1685 -128.1120 -100.3582 761465.2836 0.6637 0.6294 PRESSURE: 2367200 38.6123 -10.0623 -196.265 -10.0625 -222.655 115.868 -196.265 115.868 -142.096 GPRESSURE: 2367200 77.6972 -22.9274 -171.199 24.4185 -171.408 144.965 -114.193 79.1486 -135.441 PRESSAVG: 2367200 -29.3131 -9.11473 18.8035 -9.11476 18.0518 -11.4986 18.8035 -11.4986 2.63549 GPRESSAVG: 2367200 -28.1887 -9.21908 18.5575 -8.8253 17.435 -12.4652 19.7443 -11.4971 2.69492 TIMING: 2367200 CPU: 7480.25, 0.00318351/step Wall: 7480.25, 0.00318351/step, 2.32821 hours remaining, 239.125000 MB of memory in use. ENERGY: 2367200 4054.6286 20462.9634 14443.4082 240.5242 -203161.8479 2572.9169 0.0000 0.0000 51820.8040 -109566.6025 297.8149 -161387.4065 -109211.4602 298.8286 -108.7127 -76.3838 761591.2056 -2.8753 -2.6863 PRESSURE: 2367400 102.172 54.0875 237.706 54.0875 332.211 167.478 237.705 167.479 14.2912 GPRESSURE: 2367400 135.121 95.1593 256.86 142.658 303.821 103.149 288.651 195.406 87.6658 PRESSAVG: 2367400 -39.4623 -15.7088 43.7411 -15.7088 65.2173 -57.6611 43.7411 -57.6611 8.79404 GPRESSAVG: 2367400 -40.9972 -16.8836 43.6286 -13.6733 66.2084 -57.8395 42.261 -58.7165 9.13673 TIMING: 2367400 CPU: 7480.89, 0.0031898/step Wall: 7480.89, 0.0031898/step, 2.33263 hours remaining, 239.125000 MB of memory in use. ENERGY: 2367400 3967.4771 20555.7622 14430.1223 247.8236 -203663.8314 2741.7085 0.0000 0.0000 52284.3459 -109436.5918 300.4789 -161720.9377 -109076.6711 299.2177 149.5579 175.5360 760404.3231 11.5163 11.4493 PRESSURE: 2367600 97.1103 267.832 155.812 267.832 -44.8848 -92.832 155.812 -92.8321 333.64 GPRESSURE: 2367600 165.428 115.598 151.621 166.631 21.6421 -63.182 200.408 -0.0689461 266.885 PRESSAVG: 2367600 -50.0105 -13.6493 53.5493 -13.6493 106.74 -23.9746 53.5494 -23.9746 -3.69563 GPRESSAVG: 2367600 -49.1604 -12.9958 55.352 -16.2029 106.178 -23.6259 51.7639 -22.0798 -4.08227 TIMING: 2367600 CPU: 7481.53, 0.0032061/step Wall: 7481.53, 0.0032061/step, 2.34437 hours remaining, 239.125000 MB of memory in use. ENERGY: 2367600 4006.6505 20609.8041 14440.2982 244.8932 -202823.1567 2179.7527 0.0000 0.0000 51991.2975 -109350.4605 298.7947 -161341.7581 -108984.4243 299.0251 128.6219 151.3184 761939.8568 17.6780 17.6451 PRESSURE: 2367800 24.9201 -23.204 -124.052 -23.203 -121.005 33.9282 -124.052 33.9285 131.388 GPRESSURE: 2367800 77.4745 -124.022 -91.1258 72.5126 -113.635 30.3678 -199.887 -20.8867 149.373 PRESSAVG: 2367800 -52.3174 -25.262 43.8308 -25.262 42.9112 -10.6909 43.8308 -10.6909 6.09719 GPRESSAVG: 2367800 -52.2087 -25.9494 41.0715 -24.5999 42.8868 -11.11 45.4703 -10.1625 6.45511 TIMING: 2367800 CPU: 7482.18, 0.00321819/step Wall: 7482.18, 0.00321819/step, 2.35304 hours remaining, 239.125000 MB of memory in use. ENERGY: 2367800 4064.6099 20502.6855 14376.3139 261.1995 -203359.0832 2590.3188 0.0000 0.0000 52221.6357 -109342.3200 300.1185 -161563.9557 -108996.0304 299.8746 11.7678 37.7374 762490.7157 -1.1030 -0.9556 PRESSURE: 2368000 -263.705 -185.33 -167.278 -185.33 168.036 -151.929 -167.278 -151.928 125.95 GPRESSURE: 2368000 -161.83 -113.293 -156.661 -55.3976 162.926 -115.593 -109.439 -234.185 124.877 PRESSAVG: 2368000 -5.93831 -29.223 45.9 -29.223 26.5335 -70.4998 45.9 -70.4997 18.8303 GPRESSAVG: 2368000 -6.0923 -29.8193 46.4867 -28.3944 26.9007 -69.5397 45.9206 -71.9017 19.8243 TIMING: 2368000 CPU: 7482.82, 0.00319684/step Wall: 7482.82, 0.00319684/step, 2.33724 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2368000 3940.9680 20509.4485 14345.5171 246.0492 -203293.3520 2803.7287 0.0000 0.0000 52061.0279 -109386.6125 299.1954 -161447.6404 -109013.5189 299.3169 10.0935 41.9909 763274.0648 13.1418 13.5442 PRESSURE: 2368200 -46.55 84.2731 -116.066 84.2733 48.9735 -74.4428 -116.065 -74.4429 218.624 GPRESSURE: 2368200 -33.6521 120.471 -121.019 101.337 84.0714 5.55203 -72.5561 -15.4301 252.493 PRESSAVG: 2368200 -72.8893 24.2256 10.9501 24.2257 29.9833 -65.6165 10.9501 -65.6165 -1.66438 GPRESSAVG: 2368200 -73.9251 25.0827 11.6416 25.2497 30.949 -65.3854 11.1044 -65.8379 -1.62146 TIMING: 2368200 CPU: 7483.45, 0.00317951/step Wall: 7483.45, 0.00317951/step, 2.3244 hours remaining, 239.125000 MB of memory in use. ENERGY: 2368200 4039.4773 20601.5879 14445.8427 248.7148 -203116.7708 2535.5391 0.0000 0.0000 52008.5710 -109237.0379 298.8940 -161245.6089 -108878.4858 299.8220 73.6824 100.9709 762400.8722 -14.8568 -14.8659 LDB: ============= START OF LOAD BALANCING ============== 7495.85 LDB: ============== END OF LOAD BALANCING =============== 7495.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.85 LDB: ============= START OF LOAD BALANCING ============== 7496.17 LDB: Largest compute 7034 load 0.034391 is 17.5% of average load 0.195987 LDB: Average compute 0.004387 is 2.2% of average load 0.195987 LDB: TIME 7496.18 LOAD: AVG 0.195987 MAX 0.215803 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.766 MB LDB: TIME 7496.18 LOAD: AVG 0.195987 MAX 0.215803 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 7496.18 LOAD: AVG 0.195987 MAX 0.215803 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: ============== END OF LOAD BALANCING =============== 7496.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7496.18 PRESSURE: 2368400 280.84 -60.9762 27.7169 -60.9771 200.126 71.868 27.717 71.8681 364.812 GPRESSURE: 2368400 244.898 -153.071 -22.3135 -148.529 341.863 -14.192 0.507414 111.669 339.438 PRESSAVG: 2368400 20.9733 27.2658 -12.7367 27.2659 17.6282 -15.8317 -12.7367 -15.8318 -3.64979 GPRESSAVG: 2368400 20.4795 26.2611 -12.7296 26.3692 19.0736 -16.9171 -12.1614 -16.4492 -4.3149 TIMING: 2368400 CPU: 7484.1, 0.00325128/step Wall: 7484.1, 0.00325128/step, 2.37668 hours remaining, 238.152344 MB of memory in use. ENERGY: 2368400 3886.9239 20643.8107 14375.3485 243.3181 -203478.2662 2767.3340 0.0000 0.0000 52108.2702 -109453.2607 299.4669 -161561.5308 -109085.5161 299.8014 281.9261 308.7330 760264.5728 11.6506 11.7461 PRESSURE: 2368600 28.8866 -75.6407 47.3213 -75.6406 85.5707 188.003 47.3215 188.002 -32.1319 GPRESSURE: 2368600 88.5547 -25.7301 -71.7717 1.39954 119.509 156.22 -4.87664 198.719 -11.8045 PRESSAVG: 2368600 4.94395 31.9738 4.82915 31.9738 11.2075 -49.5445 4.82916 -49.5445 15.6966 GPRESSAVG: 2368600 5.31523 31.7981 3.68201 31.8189 10.4125 -49.7047 4.51241 -49.0297 16.2915 TIMING: 2368600 CPU: 7484.74, 0.0031749/step Wall: 7484.74, 0.0031749/step, 2.32068 hours remaining, 238.355469 MB of memory in use. ENERGY: 2368600 3924.3090 20539.2228 14368.3566 243.3204 -203286.1844 2619.7850 0.0000 0.0000 52206.2150 -109384.9757 300.0298 -161591.1907 -109015.6677 299.2386 27.4418 65.4199 761095.1936 10.6160 10.6731 PRESSURE: 2368800 -280.28 180.638 -114.652 180.638 -86.8146 -117.158 -114.653 -117.158 105.69 GPRESSURE: 2368800 -196.925 379.822 -57.8033 159.481 5.29869 -107.407 -118.589 -60.6633 30.2678 PRESSAVG: 2368800 -34.5098 -7.21687 29.9586 -7.21678 55.3272 36.4609 29.9587 36.4609 6.10751 GPRESSAVG: 2368800 -35.0162 -5.3141 28.8886 -5.90346 56.28 35.7719 29.2099 35.8881 5.54267 TIMING: 2368800 CPU: 7485.37, 0.00318019/step Wall: 7485.37, 0.00318019/step, 2.32436 hours remaining, 238.355469 MB of memory in use. ENERGY: 2368800 3899.2690 20496.8062 14453.9514 239.5164 -203156.5928 2599.6333 0.0000 0.0000 52204.4574 -109262.9592 300.0197 -161467.4166 -108900.4565 299.7066 -87.1347 -53.7863 762947.8277 8.9750 8.9355 PRESSURE: 2369000 -225.711 -28.626 29.3159 -28.626 76.9065 71.0515 29.3153 71.0512 250.461 GPRESSURE: 2369000 -187.043 -43.4538 118.446 98.679 123.299 68.1363 68.0119 176.339 246.095 PRESSAVG: 2369000 -52.0994 2.02529 12.4121 2.02525 91.0584 -21.6802 12.4121 -21.6801 -21.1867 GPRESSAVG: 2369000 -51.4899 0.708783 14.076 1.10522 90.1927 -22.1596 13.6935 -20.0327 -20.5625 TIMING: 2369000 CPU: 7486.01, 0.00318726/step Wall: 7486.01, 0.00318726/step, 2.32935 hours remaining, 238.355469 MB of memory in use. ENERGY: 2369000 3937.1237 20599.1449 14476.5013 277.8362 -202831.8375 2357.6948 0.0000 0.0000 52021.1868 -109162.3498 298.9665 -161183.5366 -108801.5097 299.3053 33.8855 60.7836 764434.1418 5.9241 6.0468 PRESSURE: 2369200 93.6857 -146.485 92.0135 -146.485 -56.2159 98.5976 92.0125 98.5984 8.84508 GPRESSURE: 2369200 92.8198 -232.026 34.3172 43.9811 22.4199 133.893 -78.2843 124.438 24.1357 PRESSAVG: 2369200 -34.6019 -22.7858 18.1801 -22.7859 54.6002 -36.9706 18.18 -36.9705 3.0348 GPRESSAVG: 2369200 -34.5414 -20.7841 17.1239 -22.1745 54.3443 -36.2335 16.3798 -37.6582 3.77774 TIMING: 2369200 CPU: 7486.65, 0.00318591/step Wall: 7486.65, 0.00318591/step, 2.32819 hours remaining, 238.355469 MB of memory in use. ENERGY: 2369200 3928.0304 20594.4028 14511.3583 259.9674 -202960.4126 2474.3120 0.0000 0.0000 52010.4070 -109181.9347 298.9045 -161192.3418 -108818.8492 299.5284 15.4383 46.4585 761384.2567 7.6777 7.8602 PRESSURE: 2369400 177.67 -134.283 43.5701 -134.283 280.177 299.162 43.5702 299.162 93.1639 GPRESSURE: 2369400 239.255 -174.619 88.2016 -117.951 305.056 233.718 -13.6704 287.263 84.5373 PRESSAVG: 2369400 -16.4282 18.6252 -5.38661 18.6251 17.2676 7.79857 -5.38662 7.7986 8.93588 GPRESSAVG: 2369400 -15.2402 18.3175 -3.85924 18.0658 17.2517 9.37454 -6.45776 6.36936 7.95454 TIMING: 2369400 CPU: 7487.29, 0.003199/step Wall: 7487.29, 0.003199/step, 2.33758 hours remaining, 238.355469 MB of memory in use. ENERGY: 2369400 3932.9632 20613.7275 14455.1978 266.8769 -203464.9269 2715.4314 0.0000 0.0000 52290.5326 -109190.1976 300.5144 -161480.7302 -108830.0090 299.7480 183.6703 209.6160 760391.3280 3.2584 3.3220 PRESSURE: 2369600 101.71 -10.0698 57.8746 -10.0698 -91.6458 -137.713 57.8757 -137.712 203.653 GPRESSURE: 2369600 70.7132 6.55897 -1.09929 -24.7872 96.6804 -191.213 224.935 -196.914 127.849 PRESSAVG: 2369600 -16.2401 17.7799 22.2539 17.78 35.3632 5.3832 22.2538 5.38326 6.09415 GPRESSAVG: 2369600 -17.1753 16.2517 22.7416 16.2697 35.1972 4.48027 23.5852 7.7152 7.27749 TIMING: 2369600 CPU: 7487.93, 0.0031889/step Wall: 7487.93, 0.0031889/step, 2.33002 hours remaining, 238.355469 MB of memory in use. ENERGY: 2369600 3978.9387 20585.2391 14461.9084 247.8288 -203488.3609 2695.5730 0.0000 0.0000 52106.0394 -109412.8336 299.4541 -161518.8729 -109051.8782 299.5553 71.2391 98.4141 761340.4690 8.4057 8.4331 PRESSURE: 2369800 -70.1115 195.562 -68.7291 195.563 279.701 -49.9732 -68.7284 -49.9727 54.285 GPRESSURE: 2369800 -59.0219 27.6435 -136.368 203.833 273.578 -18.9586 -132.03 17.1541 137.273 PRESSAVG: 2369800 -14.4047 8.19007 66.8635 8.19005 18.6163 -15.5169 66.8636 -15.517 15.0079 GPRESSAVG: 2369800 -13.7297 6.73879 66.0674 11.0124 18.5993 -14.9724 65.5123 -16.3873 14.8184 TIMING: 2369800 CPU: 7488.56, 0.00319788/step Wall: 7488.56, 0.00319788/step, 2.33641 hours remaining, 238.355469 MB of memory in use. ENERGY: 2369800 3936.8062 20475.8166 14398.9095 232.0607 -203160.6524 2656.7820 0.0000 0.0000 51926.9476 -109533.3297 298.4249 -161460.2773 -109177.2192 298.9461 87.9581 117.2763 762173.3847 6.4065 6.5627 PRESSURE: 2370000 -257.433 -76.9861 59.9018 -76.9865 -440.061 52.409 59.9022 52.4095 31.4196 GPRESSURE: 2370000 -228.665 -43.7078 -18.6048 -139.519 -366.946 179.244 32.127 133.425 11.1758 PRESSAVG: 2370000 11.3713 14.0075 -25.7583 14.0075 -12.363 36.0585 -25.7583 36.0584 -4.27939 GPRESSAVG: 2370000 10.8284 14.9239 -27.724 13.0635 -12.17 35.7574 -24.0666 36.7334 -4.54487 TIMING: 2370000 CPU: 7489.21, 0.00321099/step Wall: 7489.21, 0.00321099/step, 2.3458 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2370000 4022.9605 20507.1870 14408.3402 241.5248 -203133.2182 2378.6704 0.0000 0.0000 52046.6178 -109527.9175 299.1126 -161574.5353 -109173.9919 298.8275 -222.0247 -194.8115 761236.9028 -1.7570 -1.9621 PRESSURE: 2370200 27.9292 79.5904 28.1117 79.5905 211.76 -44.2413 28.1118 -44.2409 265.52 GPRESSURE: 2370200 118.078 -35.4654 25.6917 184.562 187.266 -97.4145 92.8516 -97.9369 289.475 PRESSAVG: 2370200 -17.7659 56.4112 -17.5423 56.4112 -19.2482 13.863 -17.5424 13.8629 0.302351 GPRESSAVG: 2370200 -18.0559 56.2343 -15.9122 55.8304 -19.1196 11.7573 -20.2627 13.2273 0.439814 TIMING: 2370200 CPU: 7489.84, 0.00315431/step Wall: 7489.84, 0.00315431/step, 2.30423 hours remaining, 238.355469 MB of memory in use. ENERGY: 2370200 3948.1595 20654.6035 14445.8804 238.2523 -203952.5518 3050.9740 0.0000 0.0000 52029.2070 -109585.4751 299.0126 -161614.6821 -109230.7813 299.1779 168.4033 198.2732 760600.9653 -12.2372 -12.2452 PRESSURE: 2370400 -237.135 221.787 55.6409 221.787 -141.708 -99.9636 55.641 -99.9634 150.48 GPRESSURE: 2370400 -244.345 236.159 161.405 238.677 -40.7165 -40.4859 40.0559 -196.966 132.594 PRESSAVG: 2370400 -19.0319 47.8404 36.4638 47.8403 43.5297 9.34589 36.4638 9.34587 -11.6323 GPRESSAVG: 2370400 -16.5792 47.4711 37.6316 47.5266 42.3608 10.4259 38.3356 8.69173 -13.2675 TIMING: 2370400 CPU: 7490.48, 0.00318883/step Wall: 7490.48, 0.00318883/step, 2.32926 hours remaining, 238.355469 MB of memory in use. ENERGY: 2370400 4004.7076 20629.0239 14416.3942 256.8444 -203700.5097 2615.7330 0.0000 0.0000 52125.1435 -109652.6631 299.5639 -161777.8066 -109299.4641 299.3830 -76.1208 -50.8226 760676.8724 4.2885 4.1714 PRESSURE: 2370600 146.29 -110.111 -36.4697 -110.111 -156.108 -93.8877 -36.4699 -93.8876 44.4403 GPRESSURE: 2370600 191.309 14.9263 -142.086 -12.5427 -146.071 -111.388 -98.5622 -65.1196 92.3671 PRESSAVG: 2370600 -8.20808 41.423 -28.188 41.4231 9.73614 -45.635 -28.188 -45.6349 24.4144 GPRESSAVG: 2370600 -10.1194 43.5598 -28.6369 41.9722 10.797 -45.116 -30.7717 -44.4005 24.8106 TIMING: 2370600 CPU: 7491.11, 0.00319117/step Wall: 7491.11, 0.00319117/step, 2.33079 hours remaining, 238.355469 MB of memory in use. ENERGY: 2370600 4017.9539 20389.1446 14425.6295 239.2122 -203443.2857 2760.4833 0.0000 0.0000 52137.8960 -109472.9662 299.6372 -161610.8621 -109103.0390 298.7583 11.5406 45.8682 761746.7747 8.6475 8.4961 PRESSURE: 2370800 -43.7607 -118.276 89.9316 -118.276 104.589 -80.2195 89.9319 -80.2185 -113.312 GPRESSURE: 2370800 5.28523 -171.236 133.921 -121.639 124.643 -59.3946 9.92618 -134.453 -65.2107 PRESSAVG: 2370800 22.9327 -5.15264 6.66163 -5.15264 -1.65367 -3.20065 6.66167 -3.20073 -23.1395 GPRESSAVG: 2370800 22.2253 -6.12555 6.14305 -3.5741 -1.1089 -2.9198 7.7096 -4.0676 -22.9567 TIMING: 2370800 CPU: 7491.75, 0.00319427/step Wall: 7491.75, 0.00319428/step, 2.33289 hours remaining, 238.355469 MB of memory in use. ENERGY: 2370800 4066.3515 20602.9250 14403.1665 225.7077 -203500.9414 2620.0014 0.0000 0.0000 52052.6084 -109530.1809 299.1471 -161582.7893 -109171.5271 299.2015 -17.4946 21.5726 761019.6134 -0.6202 -0.6134 PRESSURE: 2371000 -182.713 -100.965 -189.937 -100.965 -8.9367 78.8302 -189.938 78.831 -61.5536 GPRESSURE: 2371000 -166.381 -76.3355 -102.927 17.7233 99.7592 -45.966 -27.1534 -5.14964 -104.254 PRESSAVG: 2371000 -37.575 7.95869 21.5152 7.95871 26.3696 9.446 21.5153 9.44603 -21.3227 GPRESSAVG: 2371000 -37.1203 7.62115 21.9879 7.02579 26.0019 8.69563 21.6373 7.96909 -20.993 TIMING: 2371000 CPU: 7492.39, 0.003197/step Wall: 7492.39, 0.003197/step, 2.3347 hours remaining, 238.355469 MB of memory in use. ENERGY: 2371000 3935.4230 20630.0488 14436.6187 236.0364 -203317.9209 2413.1936 0.0000 0.0000 52004.8560 -109661.7445 298.8726 -161666.6005 -109300.0651 299.4469 -84.4011 -56.9588 761567.6228 -10.8427 -10.7038 PRESSURE: 2371200 15.2347 82.2999 -204.613 82.3012 64.5312 115.573 -204.613 115.573 -145.563 GPRESSURE: 2371200 41.2499 60.4962 -289.94 61.4503 169.371 115.357 -80.2402 148.996 -186.18 PRESSAVG: 2371200 22.4843 -11.5467 32.5367 -11.5467 -34.1169 -1.51633 32.5367 -1.51642 -2.06051 GPRESSAVG: 2371200 22.0741 -10.624 31.6698 -13.6076 -32.4814 -1.30111 34.9644 -0.242356 -3.27037 TIMING: 2371200 CPU: 7493.03, 0.00320469/step Wall: 7493.03, 0.00320469/step, 2.34014 hours remaining, 238.355469 MB of memory in use. ENERGY: 2371200 3995.8923 20610.8686 14444.7855 242.5303 -203566.1494 2805.1768 0.0000 0.0000 52064.9006 -109401.9953 299.2177 -161466.8959 -109045.1285 299.3151 -21.9325 8.1469 759617.6946 -4.5644 -4.5592 PRESSURE: 2371400 352.068 69.424 -121.487 69.4248 351.168 29.6864 -121.487 29.6866 -184.746 GPRESSURE: 2371400 347.637 42.5724 -148.481 88.3496 309.183 11.6695 -117.584 231.617 -60.0117 PRESSAVG: 2371400 20.6698 20.3902 39.7288 20.3901 8.6639 27.8003 39.7288 27.8003 28.0463 GPRESSAVG: 2371400 21.1506 18.6398 40.4225 22.0236 6.42314 28.6012 38.2363 29.3476 29.9964 TIMING: 2371400 CPU: 7493.68, 0.00321205/step Wall: 7493.68, 0.00321205/step, 2.34533 hours remaining, 238.355469 MB of memory in use. ENERGY: 2371400 3967.2176 20625.9069 14426.1123 261.1479 -203466.4228 2546.9964 0.0000 0.0000 52281.2812 -109357.7606 300.4612 -161639.0418 -108982.3217 300.2428 172.8303 198.9363 757977.8324 19.1267 19.1901 PRESSURE: 2371600 -46.6006 34.0259 159.206 34.0255 -154.768 -115.787 159.206 -115.787 -90.9444 GPRESSURE: 2371600 -76.2109 -22.0353 122.969 101.647 -82.6212 -56.1513 113.175 -197.645 -65.7267 PRESSAVG: 2371600 15.0851 68.4278 26.2285 68.4279 5.80487 13.8747 26.2285 13.8747 -16.5091 GPRESSAVG: 2371600 15.7074 69.9013 25.3287 66.3673 5.72471 14.1647 25.7466 9.93915 -16.9797 TIMING: 2371600 CPU: 7494.32, 0.00321087/step Wall: 7494.32, 0.00321087/step, 2.34429 hours remaining, 238.355469 MB of memory in use. ENERGY: 2371600 3936.7170 20773.4979 14506.5843 270.4414 -203555.2606 2634.8849 0.0000 0.0000 51857.1307 -109576.0045 298.0236 -161433.1352 -109212.5042 299.2991 -97.4378 -74.8529 759931.0822 1.4603 1.4841 PRESSURE: 2371800 -17.9238 0.455691 106.159 0.45565 218.926 -119.909 106.158 -119.908 -286.328 GPRESSURE: 2371800 82.3411 -76.4615 8.56061 -30.6805 239.421 -182.916 49.7865 -75.0546 -332.147 PRESSAVG: 2371800 -1.4394 9.61884 -15.2087 9.61889 26.9368 -3.30285 -15.2087 -3.30275 -5.38931 GPRESSAVG: 2371800 -1.16042 8.25478 -15.2529 10.4475 27.3486 -4.1013 -15.6862 -0.685575 -6.0473 TIMING: 2371800 CPU: 7494.96, 0.00323402/step Wall: 7494.96, 0.00323402/step, 2.36101 hours remaining, 238.355469 MB of memory in use. ENERGY: 2371800 4048.4490 20521.5795 14443.2409 240.1390 -203599.4144 2589.8315 0.0000 0.0000 52145.0493 -109611.1252 299.6783 -161756.1745 -109236.7897 299.1585 -28.4420 -3.4616 759452.4292 6.7027 6.7136 PRESSURE: 2372000 32.7505 -64.0645 -101.913 -64.0647 -217.654 101.306 -101.914 101.304 -244.747 GPRESSURE: 2372000 -22.0839 13.4898 -158.756 -32.0564 -60.1339 99.9916 -73.3309 37.5447 -248.172 PRESSAVG: 2372000 1.70342 51.2148 -19.0134 51.2147 -16.0767 -10.1742 -19.0134 -10.1741 1.01934 GPRESSAVG: 2372000 0.479875 49.3179 -19.5224 51.531 -14.8422 -10.6511 -18.2343 -9.88902 1.30069 TIMING: 2372000 CPU: 7495.6, 0.00318846/step Wall: 7495.6, 0.00318846/step, 2.32758 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2372000 4018.4887 20549.6802 14396.4478 262.2660 -203224.8710 2385.5200 0.0000 0.0000 51943.3368 -109669.1315 298.5191 -161612.4682 -109313.8795 299.1271 -143.2166 -110.1299 761004.8545 -4.4513 -4.3539 PRESSURE: 2372200 -109.608 -92.1128 163.024 -92.114 -172.277 -88.4368 163.023 -88.4367 90.1428 GPRESSURE: 2372200 -86.3665 -102.614 182.01 54.1843 -56.6213 -94.0963 150.113 -91.0082 18.4115 PRESSAVG: 2372200 -17.2838 8.69748 -32.0794 8.69751 -3.3475 13.8629 -32.0793 13.8628 -12.995 GPRESSAVG: 2372200 -15.7978 11.1498 -31.1459 9.75769 -5.04159 15.6934 -34.0402 11.5847 -12.983 TIMING: 2372200 CPU: 7496.24, 0.00318889/step Wall: 7496.24, 0.00318889/step, 2.32771 hours remaining, 238.355469 MB of memory in use. ENERGY: 2372200 3936.9402 20450.1826 14461.1373 244.5253 -203486.5198 2560.3684 0.0000 0.0000 52181.1225 -109652.2433 299.8856 -161833.3658 -109285.7706 298.5497 -63.9141 -41.5254 760078.9789 -11.2088 -11.2741 LDB: ============= START OF LOAD BALANCING ============== 7508.64 LDB: ============== END OF LOAD BALANCING =============== 7508.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7508.64 LDB: ============= START OF LOAD BALANCING ============== 7508.96 LDB: Largest compute 7058 load 0.034328 is 17.5% of average load 0.195984 LDB: Average compute 0.004391 is 2.2% of average load 0.195984 LDB: TIME 7508.97 LOAD: AVG 0.195984 MAX 0.218571 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.207 MB LDB: TIME 7508.97 LOAD: AVG 0.195984 MAX 0.218571 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.207 MB LDB: TIME 7508.97 LOAD: AVG 0.195984 MAX 0.218571 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.207 MB LDB: ============== END OF LOAD BALANCING =============== 7508.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7508.97 PRESSURE: 2372400 101.253 38.2738 -72.9894 38.2735 72.7147 91.5147 -72.9895 91.5146 -179.176 GPRESSURE: 2372400 71.6591 -15.5551 -195.254 30.268 109.187 84.534 18.6965 160.745 -89.7831 PRESSAVG: 2372400 -10.8914 60.5975 -12.4439 60.5975 4.18723 10.4572 -12.4439 10.4573 24.2239 GPRESSAVG: 2372400 -11.8587 61.4263 -12.4248 58.909 6.48021 10.035 -10.7009 10.531 23.2464 TIMING: 2372400 CPU: 7496.89, 0.00325105/step Wall: 7496.89, 0.00325105/step, 2.37291 hours remaining, 239.558594 MB of memory in use. ENERGY: 2372400 4005.6237 20642.3957 14455.5446 259.6495 -203326.0070 2479.0116 0.0000 0.0000 51926.5558 -109557.2260 298.4226 -161483.7818 -109198.7936 298.9004 -1.7363 30.3542 759176.4027 5.8399 5.9560 PRESSURE: 2372600 13.9079 -9.50019 -41.3044 -9.49905 42.8875 -74.3697 -41.3037 -74.369 209.787 GPRESSURE: 2372600 48.4449 -30.8145 -18.0369 112.239 119.567 -173.42 -172.741 -51.9154 182.079 PRESSAVG: 2372600 -23.3929 17.3228 -5.85203 17.3228 26.2382 -4.8106 -5.85209 -4.81059 -8.79594 GPRESSAVG: 2372600 -22.2178 16.0071 -7.23434 19.5441 25.0223 -5.21162 -6.19765 -3.55901 -8.32525 TIMING: 2372600 CPU: 7497.52, 0.00316822/step Wall: 7497.52, 0.00316822/step, 2.31227 hours remaining, 239.625000 MB of memory in use. ENERGY: 2372600 4021.6169 20574.3247 14459.5380 250.2507 -203263.9403 2546.5439 0.0000 0.0000 52028.3697 -109383.2964 299.0078 -161411.6660 -109017.0316 299.2957 88.8608 116.6971 761459.1781 -1.9836 -1.8403 PRESSURE: 2372800 -42.3506 28.218 -30.2433 28.217 -290.321 0.894567 -30.2448 0.894915 -557.589 GPRESSURE: 2372800 -45.6198 59.8717 -21.4374 -14.4072 -194.045 -51.8522 10.4147 1.28631 -547.442 PRESSAVG: 2372800 11.051 46.1943 8.3235 46.1944 6.12364 -14.4796 8.32344 -14.4796 -19.7079 GPRESSAVG: 2372800 10.5028 46.096 10.0447 46.5114 6.00624 -15.3923 8.34669 -14.0637 -19.0799 TIMING: 2372800 CPU: 7498.16, 0.00319433/step Wall: 7498.16, 0.00319433/step, 2.33115 hours remaining, 239.625000 MB of memory in use. ENERGY: 2372800 4042.1782 20549.2871 14468.5998 248.2948 -203634.6679 2411.5953 0.0000 0.0000 52347.2154 -109567.4972 300.8402 -161914.7126 -109205.8249 299.9418 -296.7535 -262.3690 760355.8177 -0.8444 -0.8569 PRESSURE: 2373000 -13.2188 82.4911 -244.162 82.4911 -166.208 74.5474 -244.164 74.5468 -111.316 GPRESSURE: 2373000 33.375 98.4788 -173.595 22.0029 -131.36 10.3068 -227.615 24.8573 -105.767 PRESSAVG: 2373000 -27.2952 46.8495 -0.14869 46.8495 22.1556 23.3871 -0.148718 23.3871 16.9268 GPRESSAVG: 2373000 -26.5067 47.9865 -0.755353 43.2099 22.0918 22.7229 -1.51183 24.6398 16.2144 TIMING: 2373000 CPU: 7498.8, 0.00319028/step Wall: 7498.8, 0.00319028/step, 2.32802 hours remaining, 239.625000 MB of memory in use. ENERGY: 2373000 3989.0492 20596.5045 14464.0787 225.6762 -203394.2819 2654.4808 0.0000 0.0000 52012.1220 -109452.3704 298.9144 -161464.4924 -109095.1023 299.1495 -96.9141 -67.9174 760414.0557 3.9291 3.9332 PRESSURE: 2373200 -98.6101 205.539 108.273 205.539 -164.359 254.558 108.273 254.558 -204.496 GPRESSURE: 2373200 50.4198 91.6612 79.7418 89.1273 -148.679 250.363 189.026 226.913 -301.697 PRESSAVG: 2373200 -6.30045 26.417 3.92898 26.4169 -34.6766 25.811 3.92895 25.811 -35.7498 GPRESSAVG: 2373200 -8.20528 24.515 3.17112 28.0269 -33.6587 27.5639 6.5032 22.9945 -35.3862 TIMING: 2373200 CPU: 7499.45, 0.00323099/step Wall: 7499.45, 0.00323099/step, 2.35754 hours remaining, 239.625000 MB of memory in use. ENERGY: 2373200 4006.0361 20650.1086 14467.2456 246.0559 -203600.0908 2672.1003 0.0000 0.0000 52028.9017 -109529.6427 299.0108 -161558.5444 -109172.6124 299.1743 -155.8217 -133.3188 761365.9794 -25.5756 -25.7501 PRESSURE: 2373400 -120.6 40.4384 52.8568 40.4383 254.1 -85.4007 52.857 -85.4 403.074 GPRESSURE: 2373400 -80.9877 12.6722 25.1177 41.0922 324.915 -190.88 -17.1401 -1.07557 391.487 PRESSAVG: 2373400 -43.8733 -3.73525 25.7682 -3.73535 40.8135 2.59895 25.7681 2.599 8.37209 GPRESSAVG: 2373400 -42.7281 -2.73284 24.8264 -3.23798 39.7017 2.41772 25.246 5.04488 8.63172 TIMING: 2373400 CPU: 7500.08, 0.00318549/step Wall: 7500.08, 0.00318549/step, 2.32417 hours remaining, 239.625000 MB of memory in use. ENERGY: 2373400 3967.0190 20623.3445 14459.2136 251.6580 -203372.3444 2681.5819 0.0000 0.0000 52140.8420 -109248.6854 299.6541 -161389.5274 -108888.8311 300.0176 178.8580 211.8049 760143.6613 1.7708 1.8685 PRESSURE: 2373600 -186.77 10.1497 11.5763 10.1495 -182.461 19.1386 11.5759 19.1391 47.456 GPRESSURE: 2373600 -94.0766 165.4 130.434 -7.21543 -216.2 -72.1457 135.921 -14.1345 77.2067 PRESSAVG: 2373600 30.1428 0.266327 1.30332 0.266353 -7.88957 -33.039 1.30324 -33.0389 -9.90184 GPRESSAVG: 2373600 30.1547 0.369321 3.34033 0.524123 -7.8988 -32.6016 -0.0682134 -34.6294 -10.1398 TIMING: 2373600 CPU: 7500.73, 0.0032054/step Wall: 7500.73, 0.0032054/step, 2.33852 hours remaining, 239.625000 MB of memory in use. ENERGY: 2373600 4048.2820 20461.6419 14452.5396 249.7051 -203144.9539 2496.0572 0.0000 0.0000 52211.4180 -109225.3101 300.0597 -161436.7281 -108858.5668 300.1535 -107.2582 -77.6901 762193.4463 4.1171 4.0387 PRESSURE: 2373800 -261.155 -16.4564 -63.3165 -16.4568 -70.4644 160.206 -63.3158 160.207 115.76 GPRESSURE: 2373800 -195.385 -50.7074 -55.7204 -21.1546 -84.7173 180.494 -64.6964 98.3314 154.009 PRESSAVG: 2373800 -30.6626 38.8561 -30.8177 38.8562 13.4992 -4.93767 -30.8177 -4.93767 11.3698 GPRESSAVG: 2373800 -30.2781 40.1722 -30.8159 36.1063 12.7507 -3.49204 -30.8275 -4.10591 11.8244 TIMING: 2373800 CPU: 7501.37, 0.00319945/step Wall: 7501.37, 0.00319945/step, 2.334 hours remaining, 239.625000 MB of memory in use. ENERGY: 2373800 3969.0337 20368.2174 14358.4506 242.9977 -203382.5351 2589.9965 0.0000 0.0000 52314.0223 -109539.8169 300.6494 -161853.8392 -109173.8391 299.2980 -71.9531 -42.0309 761632.7476 -1.9312 -1.9010 PRESSURE: 2374000 97.5507 -12.137 249.176 -12.1361 -118.978 -164.586 249.175 -164.586 50.0239 GPRESSURE: 2374000 207.944 151.209 191.686 11.341 -93.5342 -108.902 94.7092 -167.578 16.1278 PRESSAVG: 2374000 5.73305 -29.6435 11.5769 -29.6435 -10.0721 -45.3621 11.577 -45.362 18.65 GPRESSAVG: 2374000 3.40271 -29.9545 11.0916 -28.3962 -7.59873 -47.1362 13.514 -45.006 18.4506 TIMING: 2374000 CPU: 7502.01, 0.00321324/step Wall: 7502.01, 0.00321324/step, 2.34388 hours remaining, 239.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2374000 3976.3035 20639.6835 14483.3127 264.5559 -203605.4455 2709.6148 0.0000 0.0000 52017.1237 -109514.8513 298.9431 -161531.9751 -109158.8185 299.1136 9.5322 43.5124 761411.6599 4.7703 4.7515 PRESSURE: 2374200 -126.567 -43.6055 96.2184 -43.6041 -200.686 -199.415 96.2182 -199.416 162.604 GPRESSURE: 2374200 -11.4776 3.93167 67.6533 -54.8522 -196.593 -224.401 93.3598 -217.539 128.306 PRESSAVG: 2374200 43.5518 21.2552 5.42766 21.2553 14.2623 -34.5236 5.42765 -34.5236 -4.67152 GPRESSAVG: 2374200 44.597 20.0328 4.0791 21.6751 12.8035 -34.5685 3.55784 -33.5471 -3.87362 TIMING: 2374200 CPU: 7502.65, 0.00321048/step Wall: 7502.65, 0.00321048/step, 2.34169 hours remaining, 239.625000 MB of memory in use. ENERGY: 2374200 4029.7084 20586.8838 14388.2679 248.3507 -203554.6666 2877.2834 0.0000 0.0000 51836.4461 -109587.7264 297.9048 -161424.1725 -109235.6401 298.9461 -54.8830 -26.5884 762057.2192 17.7142 17.8423 PRESSURE: 2374400 -74.1547 42.0349 222.962 42.0353 -313.208 -32.8318 222.963 -32.8323 -79.5709 GPRESSURE: 2374400 -131.095 78.7308 285.238 -86.7752 -235.532 2.14801 171.022 -51.1239 -39.677 PRESSAVG: 2374400 16.5996 -8.9062 51.8516 -8.90621 -62.6285 -47.4632 51.8516 -47.4632 -19.8037 GPRESSAVG: 2374400 16.0791 -7.70625 53.0776 -11.3258 -61.601 -46.2653 54.2246 -50.129 -20.4348 TIMING: 2374400 CPU: 7503.29, 0.00318551/step Wall: 7503.29, 0.00318551/step, 2.3233 hours remaining, 239.625000 MB of memory in use. ENERGY: 2374400 3977.0498 20538.0476 14358.3775 242.2874 -203194.5641 2309.7459 0.0000 0.0000 51998.0274 -109771.0285 298.8334 -161769.0559 -109409.3759 298.8251 -155.6444 -135.4348 764058.8218 -21.9442 -21.9856 PRESSURE: 2374600 99.6692 19.6343 -215.632 19.6346 125.42 13.792 -215.632 13.7923 171.748 GPRESSURE: 2374600 50.815 -46.8301 -201.352 62.2625 251.931 -37.0384 -98.0143 40.1015 168.113 PRESSAVG: 2374600 4.86494 41.4464 45.5537 41.4464 -24.0248 9.0722 45.5537 9.0722 -0.16735 GPRESSAVG: 2374600 5.24833 39.8312 45.5518 43.4161 -23.5226 8.72554 44.5664 9.5475 -1.25747 TIMING: 2374600 CPU: 7503.92, 0.00317021/step Wall: 7503.92, 0.00317021/step, 2.31197 hours remaining, 239.625000 MB of memory in use. ENERGY: 2374600 3941.0329 20699.9820 14440.4737 250.0292 -204067.7909 3124.0698 0.0000 0.0000 51801.7240 -109810.4793 297.7052 -161612.2033 -109455.5596 298.5048 132.2788 156.9533 762933.1772 -6.4424 -6.5106 PRESSURE: 2374800 -103.205 69.6168 136.821 69.6169 -68.9175 140.512 136.82 140.511 9.69284 GPRESSURE: 2374800 98.9306 11.5538 183.274 56.6551 -185.025 114.108 78.8736 42.1603 19.1607 PRESSAVG: 2374800 33.1435 18.4993 28.5699 18.4992 -65.8998 -27.6794 28.5699 -27.6794 -34.2825 GPRESSAVG: 2374800 32.0777 19.2626 27.7011 20.1134 -65.3197 -28.9768 28.7767 -26.3113 -33.4168 TIMING: 2374800 CPU: 7504.56, 0.00319559/step Wall: 7504.56, 0.00319559/step, 2.3303 hours remaining, 239.625000 MB of memory in use. ENERGY: 2374800 3982.8453 20725.8748 14421.8541 255.0169 -203629.9026 2668.4633 0.0000 0.0000 51897.9988 -109677.8492 298.2585 -161575.8481 -109321.9806 299.2829 -54.1432 -22.3113 762709.6364 -22.3463 -22.2196 PRESSURE: 2375000 -124.201 104.862 105.488 104.862 -18.35 -2.44195 105.488 -2.44275 309.748 GPRESSURE: 2375000 -17.0459 116.627 105.672 36.5548 -10.2453 -13.2216 55.973 64.6551 276.559 PRESSAVG: 2375000 47.2666 -29.1996 34.1521 -29.1996 -56.873 -5.59142 34.1521 -5.59131 13.1218 GPRESSAVG: 2375000 48.3284 -29.1057 33.154 -29.8356 -58.1251 -5.29223 32.9214 -7.43518 12.9236 TIMING: 2375000 CPU: 7505.2, 0.00318635/step Wall: 7505.2, 0.00318635/step, 2.32338 hours remaining, 239.625000 MB of memory in use. ENERGY: 2375000 3994.4105 20517.9286 14406.5956 237.4808 -203699.3317 2882.7346 0.0000 0.0000 52000.2284 -109659.9532 298.8460 -161660.1816 -109306.5122 298.9686 55.7324 83.0892 760840.5770 1.1718 1.0423 PRESSURE: 2375200 -169.41 177.674 -88.3024 177.674 -48.6614 68.2067 -88.3015 68.206 400.808 GPRESSURE: 2375200 -87.3407 -33.7527 -71.5672 172.419 62.2426 27.307 -68.6264 20.2239 295.262 PRESSAVG: 2375200 26.9823 22.0727 6.31222 22.0728 17.891 -9.8771 6.31215 -9.8771 0.915873 GPRESSAVG: 2375200 27.1411 21.9767 6.25099 20.9153 17.6046 -9.4758 5.29624 -8.3796 0.957078 TIMING: 2375200 CPU: 7505.83, 0.00317093/step Wall: 7505.83, 0.00317093/step, 2.31196 hours remaining, 239.625000 MB of memory in use. ENERGY: 2375200 4019.4486 20511.6674 14386.0964 256.6135 -203481.9909 2671.8608 0.0000 0.0000 51967.0223 -109669.2819 298.6552 -161636.3042 -109315.8554 298.6108 60.9122 90.0546 760603.6403 15.2631 15.2342 PRESSURE: 2375400 85.5744 47.7635 39.2566 47.7634 196.901 -125.527 39.2568 -125.527 -95.3641 GPRESSURE: 2375400 178.358 24.8196 75.2055 71.4853 196.037 -168.654 110.018 -27.735 -85.2032 PRESSAVG: 2375400 13.1339 12.0759 -13.6369 12.0759 -12.9774 28.7979 -13.6369 28.798 35.2577 GPRESSAVG: 2375400 12.764 12.4832 -12.1586 12.7804 -12.7843 28.1018 -12.2143 29.1515 35.9255 TIMING: 2375400 CPU: 7506.47, 0.00321528/step Wall: 7506.47, 0.00321528/step, 2.34412 hours remaining, 239.625000 MB of memory in use. ENERGY: 2375400 3938.6434 20690.8734 14405.3699 260.5903 -203206.8568 2513.9079 0.0000 0.0000 52025.2711 -109372.2009 298.9899 -161397.4719 -109009.1953 299.2654 62.3705 96.3973 760588.4442 11.8047 11.9684 PRESSURE: 2375600 329.006 -167.838 127.672 -167.839 -141.302 -210.065 127.672 -210.065 -211.47 GPRESSURE: 2375600 347.358 -88.7953 139.188 -99.6914 -57.738 -142.229 175.813 -117.44 -220.832 PRESSAVG: 2375600 32.8904 -16.1167 18.5892 -16.1167 27.6132 -36.5689 18.5893 -36.5689 18.3434 GPRESSAVG: 2375600 33.4525 -16.467 16.6821 -14.6918 27.905 -37.3477 20.8029 -34.3086 17.3102 TIMING: 2375600 CPU: 7507.11, 0.00318014/step Wall: 7507.11, 0.00318014/step, 2.31832 hours remaining, 239.625000 MB of memory in use. ENERGY: 2375600 4012.9610 20567.5811 14453.1612 256.7712 -203796.7293 2943.3453 0.0000 0.0000 52287.8553 -109275.0542 300.4990 -161562.9095 -108908.8957 299.4961 -7.9224 22.9293 760114.9743 26.2823 26.2226 PRESSURE: 2375800 210.138 129.984 167.113 129.984 -404.222 95.6702 167.114 95.6711 -299.419 GPRESSURE: 2375800 223.18 142.884 74.0589 198.113 -251.482 35.162 65.3756 2.11469 -368.769 PRESSAVG: 2375800 6.56811 47.2301 8.23246 47.2301 -9.61601 -7.63868 8.2325 -7.63863 -8.29721 GPRESSAVG: 2375800 6.63021 45.5644 8.92939 47.0955 -8.5904 -6.44628 6.45637 -9.33693 -9.17974 TIMING: 2375800 CPU: 7507.75, 0.00318663/step Wall: 7507.75, 0.00318663/step, 2.32288 hours remaining, 239.625000 MB of memory in use. ENERGY: 2375800 4004.8878 20548.2894 14455.1659 242.5275 -203398.7967 2684.3208 0.0000 0.0000 52307.7145 -109155.8908 300.6132 -161463.6053 -108796.2849 300.1361 -164.5008 -132.3572 761827.9205 -3.7817 -3.7133 PRESSURE: 2376000 -33.7818 88.3922 57.6853 88.3926 -5.35781 12.5963 57.686 12.5959 32.6897 GPRESSURE: 2376000 30.9254 157.967 -46.6468 96.028 -34.3754 -54.1009 -58.5623 23.5702 78.6742 PRESSAVG: 2376000 21.5821 -9.08379 21.2919 -9.08377 -24.3095 1.76717 21.2919 1.76709 0.0437193 GPRESSAVG: 2376000 21.4288 -7.80884 20.217 -11.2305 -25.9232 2.4652 20.4619 -1.7809 1.11628 TIMING: 2376000 CPU: 7508.38, 0.00317163/step Wall: 7508.38, 0.00317163/step, 2.31176 hours remaining, 239.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2376000 3995.3161 20475.6014 14430.7090 252.0264 -203245.1162 2550.3377 0.0000 0.0000 52270.7592 -109270.3664 300.4008 -161541.1256 -108893.5802 299.9238 -2.1500 25.0747 761865.6264 -0.8946 -1.1261 PRESSURE: 2376200 -433.497 174.538 40.0361 174.539 -65.4607 122.929 40.0361 122.929 -261.527 GPRESSURE: 2376200 -309.195 162.361 4.48835 114.362 -116.684 123.499 166.469 188.379 -242.116 PRESSAVG: 2376200 20.0501 10.0475 9.75639 10.0474 14.3194 -48.2848 9.75641 -48.2848 -11.9786 GPRESSAVG: 2376200 20.0096 10.6889 11.2448 10.7306 14.9799 -48.1956 9.449 -46.4255 -13.0213 TIMING: 2376200 CPU: 7509.02, 0.00316683/step Wall: 7509.02, 0.00316683/step, 2.30809 hours remaining, 239.625000 MB of memory in use. ENERGY: 2376200 4016.3184 20642.4035 14462.8953 247.4352 -203140.1806 2351.4271 0.0000 0.0000 52148.6990 -109271.0022 299.6993 -161419.7012 -108911.4570 300.1291 -253.4948 -222.6649 762151.3565 7.4636 7.3227 LDB: ============= START OF LOAD BALANCING ============== 7521.42 LDB: ============== END OF LOAD BALANCING =============== 7521.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7521.42 LDB: ============= START OF LOAD BALANCING ============== 7521.74 LDB: Largest compute 7058 load 0.037027 is 18.9% of average load 0.195949 LDB: Average compute 0.004406 is 2.2% of average load 0.195949 LDB: TIME 7521.74 LOAD: AVG 0.195949 MAX 0.216324 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 7521.74 LOAD: AVG 0.195949 MAX 0.216324 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.98 MB LDB: TIME 7521.74 LOAD: AVG 0.195949 MAX 0.216324 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.98 MB LDB: ============== END OF LOAD BALANCING =============== 7521.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7521.75 PRESSURE: 2376400 -12.6292 32.5392 -39.1283 32.5386 2.00224 -149.599 -39.1286 -149.599 147.295 GPRESSURE: 2376400 50.7023 23.8864 -42.8177 57.5182 -2.02073 -180.559 -96.7802 -78.6097 166.587 PRESSAVG: 2376400 -92.0279 16.8882 -3.8885 16.8882 33.209 -13.8012 -3.88851 -13.8011 24.5175 GPRESSAVG: 2376400 -91.752 16.6748 -3.91969 16.3326 33.2294 -14.4064 -3.12505 -13.6867 24.4983 TIMING: 2376400 CPU: 7509.67, 0.00325065/step Wall: 7509.67, 0.00325065/step, 2.369 hours remaining, 237.640625 MB of memory in use. ENERGY: 2376400 4024.0347 20479.7585 14392.5570 261.8063 -203019.5532 2500.3445 0.0000 0.0000 52120.9333 -109240.1189 299.5397 -161361.0523 -108878.6620 299.3442 45.5559 71.7562 762066.5157 -11.4338 -11.3414 PRESSURE: 2376600 95.3888 17.849 286.22 17.8485 223.537 162.53 286.22 162.529 69.7833 GPRESSURE: 2376600 144.227 78.9966 200.648 33.3077 120.341 162.586 356.539 195.599 196.803 PRESSAVG: 2376600 -17.2872 -28.2633 -13.6467 -28.2634 17.7159 -7.67836 -13.6468 -7.6784 -1.11085 GPRESSAVG: 2376600 -17.5764 -27.3032 -13.6789 -28.8831 17.1549 -9.02569 -13.0765 -7.82362 -0.163305 TIMING: 2376600 CPU: 7510.3, 0.00317462/step Wall: 7510.3, 0.00317462/step, 2.31341 hours remaining, 237.843750 MB of memory in use. ENERGY: 2376600 4054.8340 20469.0188 14451.1874 231.1998 -202944.7648 2524.3233 0.0000 0.0000 51880.7772 -109333.4242 298.1595 -161214.2014 -108975.1992 300.0759 129.5696 153.7902 760500.8093 -0.2274 -0.1949 PRESSURE: 2376800 78.5189 -148.288 -55.4583 -148.288 16.8842 162.794 -55.4581 162.795 -156.278 GPRESSURE: 2376800 162.08 -110.692 -85.1832 1.36782 30.8698 255.813 -139.006 84.6161 -165.974 PRESSAVG: 2376800 -1.94414 -15.4864 14.9524 -15.4863 -5.04213 -22.4559 14.9524 -22.4559 -2.40953 GPRESSAVG: 2376800 -0.700289 -17.7609 13.8683 -15.2001 -6.26589 -20.151 13.7364 -22.3004 -2.95712 TIMING: 2376800 CPU: 7510.94, 0.00318823/step Wall: 7510.94, 0.00318823/step, 2.32315 hours remaining, 237.843750 MB of memory in use. ENERGY: 2376800 4048.1446 20590.3620 14436.6430 256.7160 -203127.4191 2442.7793 0.0000 0.0000 52049.7114 -109303.0629 299.1304 -161352.7743 -108937.6752 299.5411 -20.2917 8.9921 760604.5949 -3.1319 -3.3078 PRESSURE: 2377000 110.035 35.7081 -187.399 35.7083 -265.283 -107.078 -187.399 -107.078 16.7772 GPRESSURE: 2377000 65.4028 47.6956 -285.899 -36.1708 -171.407 -34.1343 -205.098 -119.734 54.8463 PRESSAVG: 2377000 54.9733 -48.0854 11.2518 -48.0854 -25.8676 15.6798 11.2519 15.6797 -8.82595 GPRESSAVG: 2377000 53.9613 -46.8701 11.745 -47.4462 -24.5962 15.7454 11.2766 14.1991 -8.46412 TIMING: 2377000 CPU: 7511.57, 0.00316689/step Wall: 7511.57, 0.00316688/step, 2.30743 hours remaining, 237.843750 MB of memory in use. ENERGY: 2377000 4061.2963 20775.2377 14419.9951 244.9350 -203279.6836 2667.9010 0.0000 0.0000 52010.2371 -109100.0813 298.9035 -161110.3184 -108745.3275 299.9874 -46.1571 -17.0527 759778.8649 6.7599 6.9670 PRESSURE: 2377200 15.804 -32.4159 -48.8917 -32.4161 187.228 193.583 -48.8918 193.583 156.948 GPRESSURE: 2377200 -43.4455 -42.2493 -12.308 -184.315 276.457 220.165 83.4275 81.6267 222.535 PRESSAVG: 2377200 -27.8216 -9.38493 -23.4511 -9.38491 -5.96022 40.1638 -23.4511 40.1638 26.9421 GPRESSAVG: 2377200 -27.2353 -8.05286 -23.9303 -11.5391 -6.02441 39.7388 -23.8944 39.0778 26.7067 TIMING: 2377200 CPU: 7512.21, 0.00318645/step Wall: 7512.21, 0.00318645/step, 2.32151 hours remaining, 237.843750 MB of memory in use. ENERGY: 2377200 4008.8601 20419.7970 14471.3274 239.2354 -202979.1595 2496.4112 0.0000 0.0000 52225.4981 -109118.0302 300.1407 -161343.5283 -108757.4691 300.2592 119.9934 151.8490 760694.2634 -2.2799 -2.1843 PRESSURE: 2377400 -103.003 -119.298 -21.1104 -119.297 -585.161 54.9158 -21.1105 54.9151 -358.946 GPRESSURE: 2377400 -29.3689 -76.7353 -123.507 -130.36 -549.293 77.3396 -28.0732 71.3657 -373.915 PRESSAVG: 2377400 9.79464 -38.6417 -0.810644 -38.6417 -23.7574 24.8783 -0.810609 24.8782 7.26754 GPRESSAVG: 2377400 11.4367 -38.3464 -0.716688 -37.4236 -24.7431 24.5722 0.310823 27.0947 6.89507 TIMING: 2377400 CPU: 7512.85, 0.00318308/step Wall: 7512.85, 0.00318308/step, 2.31887 hours remaining, 237.843750 MB of memory in use. ENERGY: 2377400 3997.3971 20475.6739 14364.6671 264.3559 -202788.1805 2122.0188 0.0000 0.0000 52281.8700 -109282.1977 300.4646 -161564.0677 -108908.4128 300.0783 -349.0368 -317.5256 762490.8586 -2.2317 -2.1371 PRESSURE: 2377600 33.2914 152.538 -37.5383 152.539 5.38598 104.16 -37.5387 104.159 371.694 GPRESSURE: 2377600 31.1825 129.737 -26.4033 90.5797 68.6782 78.1119 10.8748 128.054 394.484 PRESSAVG: 2377600 13.9679 -24.7336 -26.2808 -24.7335 -20.578 -25.3478 -26.2808 -25.3478 9.10902 GPRESSAVG: 2377600 10.5947 -26.7852 -27.9553 -23.3192 -18.0867 -26.126 -26.316 -25.3477 9.8145 TIMING: 2377600 CPU: 7513.48, 0.00318243/step Wall: 7513.48, 0.00318243/step, 2.31823 hours remaining, 237.843750 MB of memory in use. ENERGY: 2377600 4025.1987 20593.0597 14433.5487 247.9270 -203031.8496 2387.9851 0.0000 0.0000 52100.0953 -109244.0351 299.4200 -161344.1304 -108889.6104 299.9484 136.7905 164.7816 761047.8855 0.8330 0.7742 PRESSURE: 2377800 -234.796 160.329 -151.143 160.329 -87.8116 52.2348 -151.142 52.2354 -105.135 GPRESSURE: 2377800 -105.757 201.313 -273.658 156.085 -192.398 37.4026 -15.9431 24.7593 -48.1392 PRESSAVG: 2377800 -5.02414 19.8186 -60.2407 19.8186 20.3566 5.19453 -60.2407 5.19454 10.0608 GPRESSAVG: 2377800 -3.51745 23.5744 -59.7072 15.423 18.7797 8.76372 -62.2781 4.25854 10.4151 TIMING: 2377800 CPU: 7514.12, 0.00316455/step Wall: 7514.12, 0.00316455/step, 2.30502 hours remaining, 237.843750 MB of memory in use. ENERGY: 2377800 3971.3693 20621.7991 14397.8176 249.0696 -202740.8644 2341.9741 0.0000 0.0000 51928.5161 -109230.3187 298.4339 -161158.8348 -108873.8030 299.7080 -142.5808 -115.4313 762262.0214 8.4644 8.5591 PRESSURE: 2378000 105.544 -2.2245 -128.465 -2.22415 -24.2609 -101.18 -128.466 -101.181 590.05 GPRESSURE: 2378000 184.866 -32.2192 -233.399 -17.9555 40.9865 -138.013 -70.9814 -52.8197 505.927 PRESSAVG: 2378000 2.61101 48.5735 -29.1636 48.5735 16.5488 28.5593 -29.1636 28.5593 -14.4499 GPRESSAVG: 2378000 2.21753 45.0218 -28.922 51.683 17.4072 25.9078 -26.0372 28.7202 -14.8105 TIMING: 2378000 CPU: 7514.75, 0.00318369/step Wall: 7514.75, 0.00318369/step, 2.31879 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2378000 3990.7281 20581.7611 14447.2981 244.0302 -203465.8228 2533.1487 0.0000 0.0000 52175.5793 -109493.2773 299.8538 -161668.8566 -109122.3413 299.9133 223.7779 243.9264 759107.7024 1.5699 1.6047 PRESSURE: 2378200 -12.7727 123.046 -27.0628 123.046 -399.182 67.0404 -27.0635 67.0415 201.463 GPRESSURE: 2378200 -80.1073 121.315 -46.8517 92.8902 -221.736 45.0976 -127.334 130.458 181.711 PRESSAVG: 2378200 -6.58981 40.5417 -56.5843 40.5417 -6.13957 26.3093 -56.5843 26.3093 18.2454 GPRESSAVG: 2378200 -5.97582 42.5172 -56.6379 37.3215 -6.6606 26.4981 -57.8853 25.2728 18.4616 TIMING: 2378200 CPU: 7515.39, 0.0031713/step Wall: 7515.39, 0.0031713/step, 2.30959 hours remaining, 237.843750 MB of memory in use. ENERGY: 2378200 4046.5273 20453.2319 14382.1366 255.4829 -203534.1278 2635.6302 0.0000 0.0000 52130.2883 -109630.8304 299.5935 -161761.1187 -109265.5450 299.5342 -70.1640 -40.0440 760673.6171 1.8387 1.9417 PRESSURE: 2378400 273.378 117.86 55.9773 117.86 -6.4961 -33.5595 55.9769 -33.5597 272.575 GPRESSURE: 2378400 237.654 64.4476 131.341 61.5761 38.9776 -32.5722 69.5111 38.778 338.217 PRESSAVG: 2378400 22.5407 36.4798 -37.7393 36.4799 3.66813 2.71502 -37.7394 2.71506 3.99902 GPRESSAVG: 2378400 21.2719 35.6472 -36.8141 38.0424 4.6502 3.56935 -37.8264 3.72932 4.89906 TIMING: 2378400 CPU: 7516.02, 0.00318225/step Wall: 7516.02, 0.00318225/step, 2.31739 hours remaining, 237.843750 MB of memory in use. ENERGY: 2378400 3965.3031 20626.6595 14431.6948 245.3894 -203528.7763 2666.3551 0.0000 0.0000 51888.6728 -109704.7017 298.2049 -161593.3744 -109348.9145 298.8225 179.8188 204.9496 759240.0923 10.0693 10.2737 PRESSURE: 2378600 7.38766 109.803 45.3231 109.802 193.681 -19.7956 45.3238 -19.7961 334.822 GPRESSURE: 2378600 130.386 100.059 -14.978 119.633 193.157 16.287 138.384 105.427 314.15 PRESSAVG: 2378600 -25.8747 50.8745 -35.6978 50.8745 47.4003 -11.1052 -35.6979 -11.1052 16.0759 GPRESSAVG: 2378600 -23.9455 49.6463 -35.9978 51.7105 46.1295 -12.8236 -36.4243 -9.88827 15.9266 TIMING: 2378600 CPU: 7516.67, 0.00322886/step Wall: 7516.67, 0.00322886/step, 2.35115 hours remaining, 237.843750 MB of memory in use. ENERGY: 2378600 3912.1004 20438.7750 14460.6469 258.4733 -203631.5671 2638.0782 0.0000 0.0000 52323.8577 -109599.6357 300.7059 -161923.4934 -109230.7063 299.0556 178.6301 212.5643 760695.9044 12.5338 12.7035 PRESSURE: 2378800 -275.332 -111.754 -115.069 -111.755 -239.508 68.933 -115.069 68.9323 -53.7175 GPRESSURE: 2378800 -164.794 -93.5171 -175.714 -91.61 -180.008 138.677 -123.804 -24.1642 -134.377 PRESSAVG: 2378800 -41.0232 -14.0802 -4.42885 -14.0803 -0.873673 41.9487 -4.42883 41.9486 -6.99634 GPRESSAVG: 2378800 -41.4426 -12.3467 -4.57046 -14.4423 -0.219636 41.6357 -3.92977 42.8987 -7.44535 TIMING: 2378800 CPU: 7517.31, 0.00318758/step Wall: 7517.31, 0.00318758/step, 2.32091 hours remaining, 237.843750 MB of memory in use. ENERGY: 2378800 3872.2183 20589.1858 14380.0434 244.0711 -203233.9806 2379.2258 0.0000 0.0000 52055.1551 -109714.0811 299.1617 -161769.2362 -109359.8128 298.1354 -189.5190 -159.7264 762746.3189 -16.2978 -16.3692 PRESSURE: 2379000 -9.20018 86.6492 -94.9682 86.6497 -171.75 -61.4664 -94.9685 -61.4669 45.397 GPRESSURE: 2379000 -77.4578 82.046 86.285 59.2766 -97.3149 -46.5551 -104.843 4.8519 131.366 PRESSAVG: 2379000 -16.6885 17.5241 16.9144 17.5241 60.5805 -39.4108 16.9144 -39.4109 9.56888 GPRESSAVG: 2379000 -18.3596 16.2332 17.1688 16.8849 61.4601 -40.0624 16.6395 -41.1302 10.1515 TIMING: 2379000 CPU: 7517.94, 0.00318537/step Wall: 7517.94, 0.00318537/step, 2.31913 hours remaining, 237.843750 MB of memory in use. ENERGY: 2379000 3969.3039 20744.8374 14410.2573 242.8966 -203561.2298 2566.0547 0.0000 0.0000 51925.5481 -109702.3320 298.4168 -161627.8800 -109342.7865 298.8677 -45.1844 -14.4688 760219.4652 17.8203 17.7507 PRESSURE: 2379200 -109.136 10.4343 83.3739 10.4343 77.5341 5.32512 83.3738 5.32484 34.4441 GPRESSURE: 2379200 -80.5724 39.0399 69.8101 9.63941 121.925 -19.3411 108.117 28.9627 36.6264 PRESSAVG: 2379200 -6.61976 -26.3283 0.980501 -26.3283 -33.4261 59.1379 0.980481 59.1379 -6.17082 GPRESSAVG: 2379200 -5.7361 -25.6208 0.461722 -25.6064 -33.7951 59.3949 0.786805 58.9852 -6.88182 TIMING: 2379200 CPU: 7518.58, 0.0032024/step Wall: 7518.58, 0.0032024/step, 2.33135 hours remaining, 237.843750 MB of memory in use. ENERGY: 2379200 3854.6095 20511.0028 14426.7908 262.3926 -203825.0149 2695.0840 0.0000 0.0000 52282.1347 -109793.0006 300.4661 -162075.1353 -109421.8849 298.8909 0.9474 25.9930 760878.6369 -15.4056 -15.4710 PRESSURE: 2379400 103.4 -262.546 42.0816 -262.546 -47.1914 -41.52 42.0816 -41.5209 -275.14 GPRESSURE: 2379400 138.391 -305.145 127.196 -148.102 28.1638 -92.6981 45.0906 -53.1632 -316.04 PRESSAVG: 2379400 -7.58408 -3.88948 -29.0073 -3.88943 8.24992 18.1907 -29.0072 18.1907 4.86965 GPRESSAVG: 2379400 -6.83113 -6.58226 -29.3332 -4.0286 7.59567 20.2007 -25.4783 17.6736 4.88441 TIMING: 2379400 CPU: 7519.22, 0.00318372/step Wall: 7519.22, 0.00318372/step, 2.31757 hours remaining, 237.843750 MB of memory in use. ENERGY: 2379400 3952.1388 20565.8706 14453.9841 251.7065 -203666.2885 2736.4662 0.0000 0.0000 51810.0507 -109896.0715 297.7531 -161706.1222 -109543.4410 298.4927 -72.9771 -49.8283 760195.4820 1.8452 1.8830 PRESSURE: 2379600 356.541 -54.203 135.741 -54.203 -158.487 -225.283 135.742 -225.283 13.7295 GPRESSURE: 2379600 295.963 -18.8782 131.195 -163.641 -73.8565 -170.725 -32.6108 -60.0859 77.8345 PRESSAVG: 2379600 -4.69529 -30.8045 45.2202 -30.8044 -2.51718 54.956 45.2202 54.956 10.3358 GPRESSAVG: 2379600 -5.03296 -28.8967 45.7956 -29.3427 -3.07184 55.6366 41.2261 56.7206 11.4789 TIMING: 2379600 CPU: 7519.86, 0.00318938/step Wall: 7519.86, 0.00318937/step, 2.32151 hours remaining, 237.843750 MB of memory in use. ENERGY: 2379600 4048.3574 20401.7416 14459.4790 244.0134 -204046.0972 3092.0420 0.0000 0.0000 51956.0986 -109844.3653 298.5924 -161800.4638 -109476.8149 298.0104 70.5944 99.9803 759647.6584 1.0411 1.1247 PRESSURE: 2379800 94.073 135.802 -98.8177 135.802 9.07754 118.429 -98.8181 118.43 -82.5299 GPRESSURE: 2379800 67.7617 12.2768 -39.2155 59.2498 -6.73377 98.7108 7.45227 153.095 47.4434 PRESSAVG: 2379800 10.5742 -42.2954 -43.9077 -42.2954 -16.2978 10.411 -43.9077 10.4111 -7.04377 GPRESSAVG: 2379800 10.1462 -40.6892 -44.0828 -44.5108 -15.9547 8.68322 -43.9023 9.43159 -7.26412 TIMING: 2379800 CPU: 7520.49, 0.00317832/step Wall: 7520.49, 0.00317832/step, 2.31328 hours remaining, 237.843750 MB of memory in use. ENERGY: 2379800 4026.3184 20485.0239 14386.0961 268.4466 -203699.3601 2678.8277 0.0000 0.0000 51954.5461 -109900.1012 298.5835 -161854.6473 -109538.8690 299.3876 6.8736 36.1571 758619.8788 -4.2558 -4.3575 PRESSURE: 2380000 -253.72 -38.3591 -88.0298 -38.3596 -182.794 -67.6262 -88.0299 -67.6259 -187.102 GPRESSURE: 2380000 -145.254 68.1967 -89.705 -8.89772 -167.613 -50.8175 -71.9789 -143.247 -239.105 PRESSAVG: 2380000 -43.173 2.46659 -27.13 2.46664 26.7513 16.0771 -27.13 16.0772 4.33973 GPRESSAVG: 2380000 -41.9787 -0.107083 -27.0069 4.82171 26.5161 17.1542 -24.7257 13.5154 2.94472 TIMING: 2380000 CPU: 7521.13, 0.00317441/step Wall: 7521.13, 0.00317441/step, 2.31026 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2380000 3994.2127 20227.2362 14418.9560 240.0020 -203306.5126 2520.2416 0.0000 0.0000 51976.9391 -109928.9252 298.7122 -161905.8642 -109567.6456 298.3735 -207.8718 -183.9908 761328.4636 -4.0273 -4.1726 PRESSURE: 2380200 40.5323 79.9785 -197.693 79.9788 -234.061 3.3752 -197.694 3.37598 100.789 GPRESSURE: 2380200 13.7213 115.4 -241.549 49.9527 -201.64 85.5641 -193.518 -9.99334 194.593 PRESSAVG: 2380200 13.2171 -34.7577 -14.2601 -34.7577 -41.9124 45.7664 -14.2601 45.7664 -0.998077 GPRESSAVG: 2380200 12.3703 -33.7636 -14.3356 -36.1829 -42.2891 45.4637 -14.6306 46.2568 0.277493 TIMING: 2380200 CPU: 7521.76, 0.00318181/step Wall: 7521.76, 0.00318181/step, 2.31547 hours remaining, 237.843750 MB of memory in use. ENERGY: 2380200 3988.1016 20591.5045 14446.0352 254.8639 -203699.1262 2562.8190 0.0000 0.0000 52040.5307 -109815.2713 299.0776 -161855.8020 -109451.5217 298.1529 -30.9133 2.2247 759860.3959 -9.8978 -9.8804 LDB: ============= START OF LOAD BALANCING ============== 7534.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7534.17 LDB: =============== DONE WITH MIGRATION ================ 7534.17 LDB: ============= START OF LOAD BALANCING ============== 7534.49 LDB: Largest compute 7058 load 0.033011 is 16.8% of average load 0.195962 LDB: Average compute 0.004394 is 2.2% of average load 0.195962 LDB: TIME 7534.49 LOAD: AVG 0.195962 MAX 0.219449 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 7534.49 LOAD: AVG 0.195962 MAX 0.219449 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 7534.49 LOAD: AVG 0.195962 MAX 0.216605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: ============== END OF LOAD BALANCING =============== 7534.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7534.5 PRESSURE: 2380400 -145.239 39.4622 -295.976 39.4627 -190.783 -78.5518 -295.976 -78.552 -104.986 GPRESSURE: 2380400 -138.326 91.2838 -237.782 12.5023 -185.875 -36.6078 -202.113 42.6824 -47.88 PRESSAVG: 2380400 -0.189783 11.5527 -11.8965 11.5528 -5.0144 36.9756 -11.8965 36.9756 40.5105 GPRESSAVG: 2380400 0.0487736 8.92884 -11.1237 12.4903 -4.84845 35.6289 -13.4859 40.9036 40.3532 TIMING: 2380400 CPU: 7522.41, 0.00324472/step Wall: 7522.41, 0.00324472/step, 2.36107 hours remaining, 238.343750 MB of memory in use. ENERGY: 2380400 4071.0919 20480.4091 14422.6319 244.4966 -203405.5271 2486.3911 0.0000 0.0000 51771.8864 -109928.6200 297.5337 -161700.5064 -109584.8814 298.6699 -147.0027 -124.0269 760855.2298 11.7688 11.8512 PRESSURE: 2380600 -6.15159 56.6155 -0.367586 56.6154 -316.415 86.1864 -0.368471 86.1867 238.053 GPRESSURE: 2380600 5.30732 -10.3947 50.8095 111.395 -184.382 36.8523 -182.526 -7.81213 190.794 PRESSAVG: 2380600 -47.7552 -18.5348 -34.3422 -18.5347 11.5399 117.748 -34.3423 117.748 -0.107147 GPRESSAVG: 2380600 -47.7478 -15.3329 -33.6093 -18.5062 12.3355 119.673 -34.0632 115.358 -0.667414 TIMING: 2380600 CPU: 7523.05, 0.00317991/step Wall: 7523.05, 0.0031799/step, 2.31373 hours remaining, 238.546875 MB of memory in use. ENERGY: 2380600 3932.5933 20494.6455 14435.5360 256.2603 -203831.2726 2759.7957 0.0000 0.0000 51891.9528 -110060.4891 298.2238 -161952.4419 -109696.2190 298.3849 -28.1711 3.9066 760335.7316 -12.1075 -12.0266 PRESSURE: 2380800 -186.021 -126.387 -163.434 -126.386 0.139074 -21.8343 -163.434 -21.8343 -127.747 GPRESSURE: 2380800 -87.1134 -33.5876 -189.228 0.442008 30.3882 -29.0591 -116.633 -10.6124 -186.262 PRESSAVG: 2380800 27.2557 -41.0972 -23.395 -41.0972 -5.36567 45.1964 -23.395 45.1964 12.2789 GPRESSAVG: 2380800 27.1329 -40.1353 -24.2261 -40.3688 -7.05507 44.5811 -23.1155 47.1745 13.7508 TIMING: 2380800 CPU: 7523.69, 0.00319355/step Wall: 7523.69, 0.00319355/step, 2.32349 hours remaining, 238.546875 MB of memory in use. ENERGY: 2380800 3993.3151 20522.6962 14383.7457 245.1934 -203767.6225 2803.3666 0.0000 0.0000 51892.2690 -109927.0363 298.2256 -161819.3053 -109574.7000 298.6173 -104.5432 -80.9958 761576.5778 11.3896 11.2762 PRESSURE: 2381000 -80.6258 -87.3202 -204.843 -87.3197 -476.604 163.14 -204.842 163.139 -65.2235 GPRESSURE: 2381000 -74.6676 -150.263 -192.375 -181.173 -397.674 192.066 -118.97 181.89 -55.2551 PRESSAVG: 2381000 83.5244 -16.9258 -37.2846 -16.9258 -85.7282 6.23938 -37.2846 6.2394 14.146 GPRESSAVG: 2381000 84.2064 -17.6929 -37.1279 -17.7213 -84.6684 6.83703 -37.879 3.37476 12.9136 TIMING: 2381000 CPU: 7524.32, 0.00317342/step Wall: 7524.32, 0.00317342/step, 2.30866 hours remaining, 238.546875 MB of memory in use. ENERGY: 2381000 4072.3285 20478.0021 14392.5855 231.5819 -203288.0382 2613.9335 0.0000 0.0000 51658.8171 -109840.7896 296.8839 -161499.6067 -109482.9745 297.8745 -207.4844 -175.8654 762057.5505 3.9807 4.1505 PRESSURE: 2381200 -109.811 177.749 101.544 177.749 -307.708 -168.626 101.544 -168.626 245.174 GPRESSURE: 2381200 -73.2223 75.6955 178.794 15.6959 -312.534 -95.8053 32.4313 -4.75208 306.121 PRESSAVG: 2381200 58.3843 4.97504 -20.4791 4.975 -35.9528 28.3087 -20.479 28.3087 -8.28535 GPRESSAVG: 2381200 58.5452 4.45642 -20.2719 5.52369 -37.0955 26.2041 -20.3495 31.4036 -7.58816 TIMING: 2381200 CPU: 7524.96, 0.00318796/step Wall: 7524.96, 0.00318796/step, 2.31906 hours remaining, 238.546875 MB of memory in use. ENERGY: 2381200 3984.9738 20464.2478 14402.5347 269.3669 -203158.6799 2563.1639 0.0000 0.0000 51725.5485 -109748.8443 297.2674 -161474.3928 -109387.2243 298.0383 -57.4482 -26.5451 761045.2081 4.7154 4.6205 PRESSURE: 2381400 226.803 -146.35 142.456 -146.35 -72.3647 -285.005 142.456 -285.004 204.671 GPRESSURE: 2381400 187.914 -200.926 233.107 -171.861 41.2305 -295.705 26.5764 -213.302 188.414 PRESSAVG: 2381400 38.9378 -46.5812 36.9919 -46.5813 -53.4698 1.48123 36.992 1.48119 -7.02218 GPRESSAVG: 2381400 38.6917 -46.7594 37.8192 -45.4917 -51.5897 3.15586 36.5376 1.62688 -8.40695 TIMING: 2381400 CPU: 7525.59, 0.00316494/step Wall: 7525.59, 0.00316494/step, 2.30214 hours remaining, 238.546875 MB of memory in use. ENERGY: 2381400 3987.1199 20385.0957 14425.3247 237.9954 -203342.1868 2431.9220 0.0000 0.0000 51858.1575 -110016.5715 298.0295 -161874.7290 -109655.4815 297.6625 119.7030 139.1862 759927.9161 -7.1847 -7.1016 PRESSURE: 2381600 224.08 -41.6832 -82.1606 -41.6832 -242.937 196.893 -82.1609 196.892 -99.7983 GPRESSURE: 2381600 138.428 -7.91612 -65.8644 -45.8005 -126.677 111.978 -47.3597 287.483 -46.1373 PRESSAVG: 2381600 16.7169 1.05662 -8.76832 1.0566 -14.0653 35.5321 -8.76829 35.5322 -3.88597 GPRESSAVG: 2381600 15.9435 2.08728 -8.80137 1.23441 -15.1492 35.5856 -9.97009 36.2212 -1.55416 TIMING: 2381600 CPU: 7526.23, 0.00315671/step Wall: 7526.23, 0.00315671/step, 2.29598 hours remaining, 238.546875 MB of memory in use. ENERGY: 2381600 3926.7946 20336.6942 14418.9650 231.4845 -203434.1958 2590.7347 0.0000 0.0000 51919.8295 -110009.6932 298.3840 -161929.5228 -109644.8447 297.8590 -39.5520 -11.4624 761136.7456 -0.4115 -0.2533 PRESSURE: 2381800 161.068 102.227 51.2814 102.227 -3.73322 -89.2165 51.2823 -89.2167 -162.034 GPRESSURE: 2381800 123.014 86.3813 67.3008 163.808 61.1173 -72.6923 52.0611 -187.876 -90.9842 PRESSAVG: 2381800 17.907 -37.1716 33.3127 -37.1715 -37.691 6.00859 33.3127 6.0086 -9.89484 GPRESSAVG: 2381800 18.3313 -38.7034 31.1086 -38.3934 -37.5797 7.73553 35.2654 4.96486 -10.9669 TIMING: 2381800 CPU: 7526.86, 0.00316721/step Wall: 7526.86, 0.00316721/step, 2.30344 hours remaining, 238.546875 MB of memory in use. ENERGY: 2381800 3985.6695 20625.0076 14365.6865 238.9922 -203459.9766 2611.5237 0.0000 0.0000 51820.0005 -109813.0967 297.8103 -161633.0972 -109463.2878 298.0340 -1.5665 31.0492 760760.6508 -9.8929 -10.0718 PRESSURE: 2382000 -201.799 86.1349 -113.903 86.1344 -488.001 -2.13127 -113.902 -2.13125 130.512 GPRESSURE: 2382000 -189.128 44.5068 -29.2035 42.6366 -403.421 -54.2257 -202.44 49.2856 120.593 PRESSAVG: 2382000 48.2601 6.73302 -51.1911 6.73306 -33.7995 -56.2949 -51.1911 -56.2949 -4.55686 GPRESSAVG: 2382000 47.4553 6.61559 -50.0337 7.0929 -32.9067 -57.034 -52.3359 -58.5958 -4.31783 TIMING: 2382000 CPU: 7527.49, 0.00314612/step Wall: 7527.49, 0.00314612/step, 2.28793 hours remaining, 238.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2382000 3955.1790 20460.2796 14375.0745 237.7561 -203219.6251 2578.6956 0.0000 0.0000 52207.7838 -109404.8564 300.0389 -161612.6402 -109045.9798 298.7134 -186.4294 -157.3188 760792.9299 3.3012 3.4103 PRESSURE: 2382200 -65.6581 -120.931 -76.0809 -120.932 213.673 -123.2 -76.0808 -123.2 -168.128 GPRESSURE: 2382200 -40.8497 -98.1439 -113.329 -179.333 273.196 -191.489 44.4352 -49.4928 -179.117 PRESSAVG: 2382200 56.1028 5.50933 -39.8494 5.50934 22.255 19.6687 -39.8494 19.6687 20.6287 GPRESSAVG: 2382200 56.3213 7.15465 -39.6969 3.76589 22.931 19.9806 -40.0761 23.0038 19.9044 TIMING: 2382200 CPU: 7528.12, 0.00317292/step Wall: 7528.12, 0.00317292/step, 2.30724 hours remaining, 238.546875 MB of memory in use. ENERGY: 2382200 4019.9608 20473.7207 14433.1826 260.2368 -203313.6300 2462.5414 0.0000 0.0000 52236.6996 -109427.2881 300.2050 -161663.9876 -109055.6228 299.3923 -6.7045 17.7433 758760.8613 32.9955 33.0522 PRESSURE: 2382400 -122.205 -10.4072 4.7206 -10.4073 29.6742 -32.7486 4.72121 -32.7484 259.448 GPRESSURE: 2382400 -90.7473 -28.429 -88.8306 -66.0312 31.9027 101.714 168.737 -221.031 305.519 PRESSAVG: 2382400 10.1507 -6.28283 -24.2427 -6.28281 34.2792 12.2778 -24.2427 12.2778 -31.7113 GPRESSAVG: 2382400 11.1665 -6.1102 -26.0953 -5.2863 32.505 11.3082 -21.4771 11.1577 -31.5035 TIMING: 2382400 CPU: 7528.77, 0.00322372/step Wall: 7528.77, 0.00322372/step, 2.344 hours remaining, 238.546875 MB of memory in use. ENERGY: 2382400 4082.4807 20448.2844 14432.0416 254.3258 -203764.0579 2793.1160 0.0000 0.0000 52230.7018 -109523.1075 300.1706 -161753.8094 -109159.2453 299.7072 55.6392 82.2249 757721.6601 4.2395 4.0560 PRESSURE: 2382600 13.4908 72.3342 239.495 72.3341 82.3425 309.678 239.495 309.677 -36.8407 GPRESSURE: 2382600 100.046 138.284 290.258 72.0597 80.2124 264.797 213.906 287.178 -21.8275 PRESSAVG: 2382600 -50.3762 -6.48981 27.614 -6.48977 -6.43402 -3.3878 27.614 -3.38776 -3.91603 GPRESSAVG: 2382600 -51.6307 -5.72217 28.3882 -8.70851 -5.09134 -2.37524 26.4843 -3.60274 -3.19064 TIMING: 2382600 CPU: 7529.4, 0.00317872/step Wall: 7529.4, 0.00317872/step, 2.31111 hours remaining, 238.546875 MB of memory in use. ENERGY: 2382600 3992.6738 20593.6879 14405.2749 245.7672 -203549.9707 2536.2238 0.0000 0.0000 52264.5726 -109511.7704 300.3652 -161776.3430 -109147.6617 299.8681 19.6642 52.8104 759443.7419 -20.2421 -19.9709 PRESSURE: 2382800 273.52 -178.182 -61.4316 -178.183 440.87 -6.02654 -61.4315 -6.02736 124.496 GPRESSURE: 2382800 321.191 -199.336 -115.072 -63.8601 419.81 -72.1202 -29.4043 67.8905 197.691 PRESSAVG: 2382800 -5.55173 -59.5357 16.172 -59.5357 43.62 -5.6184 16.172 -5.61839 10.1868 GPRESSAVG: 2382800 -4.42877 -62.6984 16.3877 -55.6869 42.1721 -6.47096 16.3642 -4.5695 10.7282 TIMING: 2382800 CPU: 7530.04, 0.00319766/step Wall: 7530.04, 0.00319766/step, 2.3247 hours remaining, 238.546875 MB of memory in use. ENERGY: 2382800 4054.9844 20598.6080 14438.5332 258.0551 -203727.8433 2500.4151 0.0000 0.0000 52382.2173 -109495.0301 301.0413 -161877.2474 -109126.0238 299.8390 279.6286 312.8975 758819.1391 16.0850 16.1572 PRESSURE: 2383000 -255.167 -82.5593 -162.721 -82.5589 -234.888 7.20165 -162.721 7.20095 -267.536 GPRESSURE: 2383000 -217.854 -2.79059 -125.06 -75.8597 -177.637 37.2512 -200.871 -44.7105 -283.204 PRESSAVG: 2383000 2.34096 -13.4025 38.2869 -13.4025 -17.9013 9.78225 38.2869 9.78225 -19.1791 GPRESSAVG: 2383000 3.51991 -10.8161 37.6339 -15.2539 -17.312 9.95309 37.8825 8.46665 -20.7831 TIMING: 2383000 CPU: 7530.68, 0.00317222/step Wall: 7530.68, 0.00317222/step, 2.30603 hours remaining, 238.546875 MB of memory in use. ENERGY: 2383000 3997.2095 20617.6434 14501.5846 253.3914 -203502.2208 2560.7621 0.0000 0.0000 52190.2826 -109381.3471 299.9383 -161571.6297 -109016.6632 299.7127 -252.5302 -226.2317 761840.3505 -11.5798 -11.5250 PRESSURE: 2383200 1.41367 -164.225 -102.417 -164.225 72.9739 -4.11079 -102.416 -4.1116 253.027 GPRESSURE: 2383200 -7.7492 -147.767 -133.768 -99.66 176.869 -49.8757 -38.6421 68.8032 237.388 PRESSAVG: 2383200 8.39876 -19.8711 -25.3396 -19.8712 45.6578 37.8631 -25.3395 37.8633 7.39967 GPRESSAVG: 2383200 6.03985 -21.7478 -23.2524 -20.1445 46.4976 39.0686 -27.0223 36.5083 9.16582 TIMING: 2383200 CPU: 7531.31, 0.00315143/step Wall: 7531.31, 0.00315143/step, 2.29074 hours remaining, 238.546875 MB of memory in use. ENERGY: 2383200 4037.1402 20774.6249 14397.1376 231.5328 -203413.1445 2556.0920 0.0000 0.0000 52121.3431 -109295.2739 299.5421 -161416.6170 -108930.1526 299.3359 109.1381 135.5026 759253.5577 20.4854 20.5678 PRESSURE: 2383400 -208.589 -134.055 12.603 -134.056 -392.289 53.1266 12.6031 53.1261 -173.359 GPRESSURE: 2383400 -211.722 -266.408 -19.3747 -96.8145 -286.985 31.1935 43.4774 -7.65302 -183.778 PRESSAVG: 2383400 44.6182 -20.5666 -38.1721 -20.5666 -34.4739 -13.1111 -38.172 -13.1111 -0.161101 GPRESSAVG: 2383400 46.9821 -19.8778 -40.4232 -19.7775 -35.0444 -14.328 -36.8136 -10.9791 -1.55935 TIMING: 2383400 CPU: 7531.94, 0.00314892/step Wall: 7531.94, 0.00314892/step, 2.28874 hours remaining, 238.546875 MB of memory in use. ENERGY: 2383400 4025.8251 20672.6552 14467.2244 239.8230 -203288.5421 2489.9876 0.0000 0.0000 51910.5976 -109482.4293 298.3309 -161393.0269 -109117.1416 299.6148 -258.0789 -227.4952 760511.6512 3.3277 3.4594 PRESSURE: 2383600 -68.8137 50.3513 53.5458 50.3506 -49.6437 86.9993 53.5454 86.9971 -142.791 GPRESSURE: 2383600 -85.4191 30.2732 -69.1982 -23.2513 -2.38925 51.5308 129.81 41.7149 -81.9899 PRESSAVG: 2383600 10.3439 -77.9888 -23.2686 -77.9887 -9.29884 -24.4276 -23.2686 -24.4277 -9.79397 GPRESSAVG: 2383600 8.95072 -79.1224 -23.5666 -77.7517 -8.08464 -25.0734 -22.5346 -28.025 -9.14782 TIMING: 2383600 CPU: 7532.56, 0.00314006/step Wall: 7532.56, 0.00314005/step, 2.28212 hours remaining, 238.546875 MB of memory in use. ENERGY: 2383600 4084.7915 20702.6467 14442.2880 254.5474 -203289.6242 2584.7043 0.0000 0.0000 52080.5758 -109140.0705 299.3078 -161220.6463 -108779.9122 299.8711 -87.0830 -56.5994 760878.9486 -2.9163 -2.7606 PRESSURE: 2383800 -100.999 -30.5151 224.738 -30.5138 -116.136 16.7637 224.738 16.7635 -99.0392 GPRESSURE: 2383800 -31.9328 125.482 305.578 -30.7663 -123.353 84.6356 242.26 53.1253 -97.7558 PRESSAVG: 2383800 20.6351 2.19271 58.2965 2.19273 0.193705 5.77561 58.2965 5.77552 10.5749 GPRESSAVG: 2383800 21.7277 3.40498 57.8293 0.879529 -0.444933 6.49697 58.5803 8.59342 9.73988 TIMING: 2383800 CPU: 7533.19, 0.00314094/step Wall: 7533.19, 0.00314094/step, 2.28259 hours remaining, 238.546875 MB of memory in use. ENERGY: 2383800 4033.5093 20661.6227 14444.1876 249.9837 -203765.7679 2665.6848 0.0000 0.0000 52340.2985 -109370.4812 300.8004 -161710.7797 -108989.8102 300.3012 -105.3914 -84.3473 760220.1992 10.4679 10.3409 PRESSURE: 2384000 59.6895 134.291 98.2567 134.292 21.0955 -22.5541 98.2568 -22.5546 -24.2796 GPRESSURE: 2384000 61.1603 155.534 39.7164 58.6715 82.4982 37.0426 86.8557 -141.857 -0.672209 PRESSAVG: 2384000 -50.7605 30.1592 34.9854 30.1592 51.0506 -3.87838 34.9854 -3.87839 0.880941 GPRESSAVG: 2384000 -51.515 29.1122 36.3917 31.9199 52.0786 -2.81474 32.2302 -2.80606 0.543631 TIMING: 2384000 CPU: 7533.83, 0.00316922/step Wall: 7533.83, 0.00316922/step, 2.30297 hours remaining, 238.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2384000 4000.0092 20664.7936 14435.2310 247.0491 -203374.4391 2668.3952 0.0000 0.0000 52006.8852 -109352.0759 298.8843 -161358.9611 -108994.9300 299.3029 18.8351 47.6621 761045.9245 0.3903 0.3691 PRESSURE: 2384200 -401.141 -186.647 -98.404 -186.646 -307.17 -174.837 -98.4041 -174.836 51.5602 GPRESSURE: 2384200 -375.32 -79.1944 -166.394 -109.839 -248.209 -181.766 -35.5413 -53.1087 59.8838 PRESSAVG: 2384200 24.9091 36.6704 -36.8623 36.6704 16.0623 -23.1999 -36.8623 -23.2 17.266 GPRESSAVG: 2384200 24.2856 37.9456 -37.5335 35.9566 16.208 -22.6149 -35.5326 -25.2502 18.1832 TIMING: 2384200 CPU: 7534.46, 0.00314049/step Wall: 7534.46, 0.00314049/step, 2.28191 hours remaining, 238.546875 MB of memory in use. ENERGY: 2384200 4005.3177 20500.5626 14466.9339 252.3294 -203072.3758 2475.9446 0.0000 0.0000 52271.2813 -109100.0063 300.4038 -161371.2875 -108743.8659 299.8590 -218.9170 -187.8818 760588.3047 19.4124 19.5589 LDB: ============= START OF LOAD BALANCING ============== 7546.85 LDB: ============== END OF LOAD BALANCING =============== 7546.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7546.85 LDB: ============= START OF LOAD BALANCING ============== 7547.17 LDB: Largest compute 7034 load 0.033756 is 17.2% of average load 0.196154 LDB: Average compute 0.004379 is 2.2% of average load 0.196154 LDB: TIME 7547.17 LOAD: AVG 0.196154 MAX 0.220897 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.543 MB LDB: TIME 7547.17 LOAD: AVG 0.196154 MAX 0.220897 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: TIME 7547.17 LOAD: AVG 0.196154 MAX 0.218959 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: ============== END OF LOAD BALANCING =============== 7547.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7547.18 PRESSURE: 2384400 425.311 -69.887 -114.9 -69.8871 163.83 43.8397 -114.9 43.8395 361.2 GPRESSURE: 2384400 501.476 -26.2024 -61.3381 -99.0448 170.409 1.93727 -64.395 127.719 358.947 PRESSAVG: 2384400 38.4857 -16.82 -22.2955 -16.82 17.4885 -16.9973 -22.2955 -16.9973 -20.1654 GPRESSAVG: 2384400 38.097 -17.3183 -20.1659 -16.8035 16.8586 -16.8133 -22.0925 -15.2692 -19.0735 TIMING: 2384400 CPU: 7535.1, 0.00321593/step Wall: 7535.1, 0.00321593/step, 2.33655 hours remaining, 238.601562 MB of memory in use. ENERGY: 2384400 4012.0585 20670.7669 14392.7251 233.1280 -203436.4825 2883.5374 0.0000 0.0000 52053.8846 -109190.3821 299.1544 -161244.2666 -108829.5530 300.0741 316.7804 343.6104 760032.6031 11.9363 11.9607 PRESSURE: 2384600 -268.724 125.015 -80.1193 125.015 50.1114 127.136 -80.1189 127.136 120.149 GPRESSURE: 2384600 -187.478 214.468 -121.936 -12.791 54.7157 156.201 -36.0342 23.8841 98.5218 PRESSAVG: 2384600 -14.8906 4.38777 6.22501 4.38779 56.6551 -11.4884 6.22503 -11.4884 7.50188 GPRESSAVG: 2384600 -14.7696 5.51109 7.2316 3.09742 57.4894 -12.0929 4.22577 -9.62238 5.40987 TIMING: 2384600 CPU: 7535.73, 0.00318219/step Wall: 7535.73, 0.00318219/step, 2.31186 hours remaining, 238.601562 MB of memory in use. ENERGY: 2384600 4007.3510 20464.7250 14428.2610 236.0020 -203316.9510 2799.3252 0.0000 0.0000 52075.9320 -109305.3548 299.2811 -161381.2868 -108941.4327 299.7144 -32.8214 -11.4136 763329.1185 16.4221 16.0432 PRESSURE: 2384800 146.89 -37.9043 -123.437 -37.905 -190.203 -2.67718 -123.437 -2.67757 187.544 GPRESSURE: 2384800 174.773 -45.9705 -58.7004 29.245 -181.031 -9.20428 -97.4939 -39.815 232.234 PRESSAVG: 2384800 47.6169 9.74778 7.74586 9.74781 -13.6608 17.1042 7.74589 17.1043 -18.9575 GPRESSAVG: 2384800 48.3838 8.51056 4.29311 12.0441 -14.8086 16.9725 9.48956 15.6723 -17.8486 TIMING: 2384800 CPU: 7536.37, 0.00316526/step Wall: 7536.37, 0.00316526/step, 2.29939 hours remaining, 238.601562 MB of memory in use. ENERGY: 2384800 3922.9062 20669.2006 14481.3668 246.4117 -203397.2717 2665.2428 0.0000 0.0000 52204.9959 -109207.1478 300.0228 -161412.1436 -108852.8874 299.9136 48.0768 75.3255 762275.5826 4.9996 5.2422 PRESSURE: 2385000 77.7286 10.0677 385.391 10.0679 283.955 -163.591 385.391 -163.591 -353.703 GPRESSURE: 2385000 136.056 152.849 325.634 -59.5268 251.992 -234.075 388.049 -130.223 -288.128 PRESSAVG: 2385000 -8.78281 -43.7084 -19.9724 -43.7084 70.7583 -30.55 -19.9724 -30.5501 -8.2888 GPRESSAVG: 2385000 -9.51232 -45.1733 -20.0044 -45.841 71.2128 -30.7692 -20.2641 -31.1383 -7.91455 TIMING: 2385000 CPU: 7537.01, 0.00319072/step Wall: 7537.01, 0.00319072/step, 2.3177 hours remaining, 238.601562 MB of memory in use. ENERGY: 2385000 3966.6919 20597.7962 14410.8891 256.2125 -203158.7120 2474.8910 0.0000 0.0000 52073.4979 -109378.7334 299.2671 -161452.2313 -109014.9487 299.6650 2.6600 33.3064 761641.9230 17.8956 17.9286 PRESSURE: 2385200 -129.931 -64.7691 81.8636 -64.7693 -111.327 105.994 81.863 105.994 -360.49 GPRESSURE: 2385200 -113.816 -140.079 45.6816 -27.6746 -64.8996 89.8846 49.5103 26.067 -324.034 PRESSAVG: 2385200 -6.47383 -76.364 32.5647 -76.3641 35.0068 32.1037 32.5647 32.1038 -13.0303 GPRESSAVG: 2385200 -6.05293 -74.2473 31.5986 -75.7783 35.1697 32.8077 35.088 31.3885 -13.4056 TIMING: 2385200 CPU: 7537.64, 0.0031775/step Wall: 7537.64, 0.0031775/step, 2.30792 hours remaining, 238.601562 MB of memory in use. ENERGY: 2385200 3963.8918 20410.3628 14388.4508 260.7584 -203472.6675 2694.7604 0.0000 0.0000 52298.2741 -109456.1691 300.5589 -161754.4432 -109091.0609 299.1867 -200.5827 -167.5833 761649.5963 5.1676 5.2370 PRESSURE: 2385400 -613.777 153.398 47.8059 153.399 -200.907 49.1779 47.8056 49.1772 -706.044 GPRESSURE: 2385400 -519.11 123.054 78.8486 121.233 -122.02 97.0628 -32.7531 38.8826 -787.899 PRESSAVG: 2385400 42.7499 -17.1898 7.21264 -17.1898 -9.75065 5.42274 7.21269 5.42278 10.1692 GPRESSAVG: 2385400 43.4006 -17.4439 9.51921 -14.4669 -10.5508 4.59432 4.86118 6.31475 9.93621 TIMING: 2385400 CPU: 7538.28, 0.00317396/step Wall: 7538.28, 0.00317396/step, 2.30518 hours remaining, 238.601562 MB of memory in use. ENERGY: 2385400 3919.9821 20521.2518 14455.6084 249.0472 -203046.6035 2322.3591 0.0000 0.0000 52191.1330 -109387.2220 299.9432 -161578.3550 -109014.7257 299.3820 -506.9091 -476.3431 761135.9884 14.3895 14.2620 PRESSURE: 2385600 -181.494 226.677 161.367 226.677 -318.924 -24.5775 161.367 -24.5772 -589.54 GPRESSURE: 2385600 -178.588 92.9464 156.151 269.105 -285.059 -4.21672 -2.2103 -11.3599 -557.511 PRESSAVG: 2385600 29.6334 2.75909 8.97693 2.75903 -29.2146 18.3486 8.97687 18.3486 -2.66108 GPRESSAVG: 2385600 29.3819 0.811957 6.49319 2.48869 -29.4677 18.1643 10.3354 16.8293 -2.24663 TIMING: 2385600 CPU: 7538.91, 0.00318409/step Wall: 7538.91, 0.00318409/step, 2.31236 hours remaining, 238.601562 MB of memory in use. ENERGY: 2385600 3947.3346 20417.4829 14415.3665 240.2217 -203145.0276 2454.1344 0.0000 0.0000 52216.7874 -109453.7001 300.0906 -161670.4875 -109095.1051 299.5109 -363.3193 -340.3859 761379.4639 -0.7474 -0.7775 PRESSURE: 2385800 265.198 -94.7217 -301.155 -94.7214 -25.8541 169.955 -301.155 169.955 243.598 GPRESSURE: 2385800 214.784 -3.67305 -277.629 102.57 98.7804 144.606 -272.891 137.149 259.048 PRESSAVG: 2385800 -0.350667 20.688 -34.0798 20.688 10.9357 30.4498 -34.0798 30.4498 14.1532 GPRESSAVG: 2385800 -0.0969232 21.0744 -32.8624 19.8423 10.6027 30.5011 -37.2089 32.4856 14.7918 TIMING: 2385800 CPU: 7539.55, 0.00317195/step Wall: 7539.55, 0.00317195/step, 2.30337 hours remaining, 238.601562 MB of memory in use. ENERGY: 2385800 3966.6008 20483.1222 14373.9585 244.4131 -203076.5830 2575.0256 0.0000 0.0000 52104.2805 -109329.1824 299.4440 -161433.4629 -108961.1318 299.3961 160.9805 190.8707 760538.4049 8.2461 8.4325 PRESSURE: 2386000 -77.7551 -15.2357 -56.451 -15.2351 101.982 -33.2833 -56.4511 -33.2829 -159.643 GPRESSURE: 2386000 31.1905 -84.3163 -69.5234 62.9755 53.0019 -77.7359 -64.4301 49.0675 -133.211 PRESSAVG: 2386000 58.4516 12.7072 -16.126 12.7072 -78.8019 -25.1796 -16.126 -25.1796 -31.6297 GPRESSAVG: 2386000 60.3095 13.5154 -14.9767 14.4281 -79.6108 -24.8289 -15.5805 -27.778 -33.1215 TIMING: 2386000 CPU: 7540.19, 0.00319452/step Wall: 7540.19, 0.00319452/step, 2.31958 hours remaining, 238.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2386000 3980.0867 20467.2754 14453.4686 239.8208 -203048.3529 2614.8222 0.0000 0.0000 52213.9950 -109078.8842 300.0745 -161292.8793 -108717.6981 299.4500 -45.1386 -16.3394 759771.6948 -17.3267 -17.4743 PRESSURE: 2386200 16.0774 -64.4586 119.133 -64.458 -218.623 -26.5281 119.132 -26.5283 26.5159 GPRESSURE: 2386200 -63.0572 -156.254 141.83 -182.093 -146.407 5.25309 134.267 -47.667 110.564 PRESSAVG: 2386200 41.9091 -35.4776 -0.960734 -35.4776 -57.2494 -29.6441 -0.960642 -29.6441 4.59069 GPRESSAVG: 2386200 39.7458 -35.1779 -0.809676 -36.7347 -55.9503 -30.7404 0.24363 -25.6941 5.37346 TIMING: 2386200 CPU: 7540.82, 0.00318323/step Wall: 7540.82, 0.00318323/step, 2.3112 hours remaining, 238.601562 MB of memory in use. ENERGY: 2386200 3966.2463 20632.7967 14399.7471 272.0324 -202973.7773 2390.9104 0.0000 0.0000 52068.3200 -109243.7244 299.2374 -161312.0445 -108889.8254 299.7015 -58.6765 -32.9668 760683.7897 -3.5832 -3.6103 PRESSURE: 2386400 178.555 -186.781 162.47 -186.781 120.225 -206.446 162.47 -206.446 -213.678 GPRESSURE: 2386400 138.122 -297.975 154.96 -272.156 187.58 -199.672 77.2732 -97.3787 -143.637 PRESSAVG: 2386400 -4.3202 18.2465 28.9686 18.2465 -6.40663 -20.5585 28.9685 -20.5586 15.9552 GPRESSAVG: 2386400 -3.41781 18.0525 27.545 17.2124 -6.90856 -20.4589 29.6197 -22.7637 15.9736 TIMING: 2386400 CPU: 7541.46, 0.00317669/step Wall: 7541.46, 0.00317669/step, 2.30628 hours remaining, 238.601562 MB of memory in use. ENERGY: 2386400 4024.6002 20639.0291 14382.0857 233.1404 -202947.8078 2288.2179 0.0000 0.0000 52051.2461 -109329.4884 299.1392 -161380.7345 -108971.6493 299.7324 28.3672 60.6879 761829.8293 1.7428 1.8824 PRESSURE: 2386600 418.731 -8.24764 -75.8858 -8.24772 225.492 -265.633 -75.8864 -265.633 -217.795 GPRESSURE: 2386600 519.724 -49.8492 -202.669 10.2691 186.353 -248.463 -56.3342 -199.853 -189.165 PRESSAVG: 2386600 50.4339 -31.8121 3.06366 -31.8121 -48.6646 -35.8751 3.06367 -35.875 -29.3567 GPRESSAVG: 2386600 50.1978 -32.0085 3.94123 -30.5187 -47.8986 -35.9589 1.78356 -35.8122 -30.0038 TIMING: 2386600 CPU: 7542.09, 0.00315341/step Wall: 7542.09, 0.00315341/step, 2.2892 hours remaining, 238.601562 MB of memory in use. ENERGY: 2386600 4001.2721 20421.3504 14447.9921 269.0878 -203473.4029 2713.7577 0.0000 0.0000 52372.7772 -109247.1655 300.9871 -161619.9427 -108879.7953 299.8399 142.1428 172.3041 759792.9015 -9.1958 -9.2349 PRESSURE: 2386800 -231.729 9.71839 201.488 9.71948 -302.121 49.1227 201.488 49.1226 312.41 GPRESSURE: 2386800 -150.592 -24.3538 159.469 158.687 -319.167 0.996017 189.892 -31.6071 323.814 PRESSAVG: 2386800 23.3554 -15.5734 -32.4684 -15.5734 -22.9228 -39.2675 -32.4684 -39.2675 -3.55727 GPRESSAVG: 2386800 23.3944 -14.0196 -33.7176 -16.6899 -23.135 -39.1372 -30.4534 -38.7739 -3.52598 TIMING: 2386800 CPU: 7542.72, 0.00315473/step Wall: 7542.72, 0.00315473/step, 2.28998 hours remaining, 238.601562 MB of memory in use. ENERGY: 2386800 3989.0397 20423.0307 14384.6844 244.5043 -203167.9627 2627.7747 0.0000 0.0000 52258.6031 -109240.3258 300.3309 -161498.9289 -108884.6266 299.7612 -73.8135 -48.6483 760759.8447 -1.0416 -1.0889 PRESSURE: 2387000 -212.257 -187.293 -142.811 -187.294 243.854 142.88 -142.81 142.88 -148.395 GPRESSURE: 2387000 -97.2694 -108.649 -166.875 -90.9558 184.172 137.343 -142.478 22.5182 -135.095 PRESSAVG: 2387000 26.378 -22.66 -3.73698 -22.66 -5.62624 4.05162 -3.73698 4.05155 14.4051 GPRESSAVG: 2387000 26.78 -21.2983 -4.39825 -20.9849 -5.59773 5.07563 -3.97677 4.81172 14.3886 TIMING: 2387000 CPU: 7543.35, 0.00316116/step Wall: 7543.35, 0.00316116/step, 2.29447 hours remaining, 238.601562 MB of memory in use. ENERGY: 2387000 4002.2522 20498.1091 14374.5513 277.1595 -203097.6594 2542.9120 0.0000 0.0000 52179.1334 -109223.5419 299.8742 -161402.6754 -108867.8284 299.7198 -38.9322 -16.0641 761789.1624 11.7189 11.8570 PRESSURE: 2387200 14.9831 -146.888 -38.02 -146.888 145.547 -168.248 -38.0185 -168.249 130.23 GPRESSURE: 2387200 122.77 -203.482 -98.2215 -140.809 89.4232 -179.352 -126.37 -43.5435 137.263 PRESSAVG: 2387200 18.1094 -51.8957 -44.2437 -51.8957 -31.5785 48.7168 -44.2437 48.7167 8.59203 GPRESSAVG: 2387200 18.2991 -55.1223 -42.2785 -52.3973 -32.94 48.68 -45.1145 47.0661 9.20346 TIMING: 2387200 CPU: 7543.99, 0.00316881/step Wall: 7543.99, 0.00316881/step, 2.29985 hours remaining, 238.601562 MB of memory in use. ENERGY: 2387200 3941.6756 20563.0721 14339.7831 256.7130 -202801.2783 2276.3445 0.0000 0.0000 52088.5679 -109335.1220 299.3537 -161423.6899 -108977.1085 299.7304 96.9202 116.4854 762688.2093 -1.6257 -1.8125 PRESSURE: 2387400 -276.085 -40.5416 72.8835 -40.5417 -289.315 -51.448 72.8837 -51.447 -555.647 GPRESSURE: 2387400 -289.178 57.5871 66.6989 -54.2631 -319.953 -132.935 137.536 117.713 -437.583 PRESSAVG: 2387400 20.9001 -2.91415 26.775 -2.9141 5.41094 -10.3732 26.7749 -10.3731 7.2047 GPRESSAVG: 2387400 19.2277 0.0455334 25.9609 -4.0227 7.51198 -12.3377 25.4868 -8.75675 6.82529 TIMING: 2387400 CPU: 7544.62, 0.00317867/step Wall: 7544.62, 0.00317867/step, 2.30683 hours remaining, 238.601562 MB of memory in use. ENERGY: 2387400 3985.3760 20570.6787 14377.5285 270.7032 -203047.2186 2632.7681 0.0000 0.0000 51946.1218 -109264.0424 298.5351 -161210.1641 -108894.3481 299.8845 -373.6822 -348.9045 761307.9013 11.1719 11.1883 PRESSURE: 2387600 -161.795 89.731 -71.9625 89.7312 35.7497 -26.0302 -71.9625 -26.0292 -552.053 GPRESSURE: 2387600 -185.314 64.2963 -19.3048 10.1359 79.0479 -6.73102 18.2447 -74.6193 -489.296 PRESSAVG: 2387600 -11.0689 -43.2775 1.94529 -43.2776 44.3936 -43.2581 1.94534 -43.2581 10.8465 GPRESSAVG: 2387600 -9.50124 -44.0119 0.624409 -42.2283 42.8106 -41.0625 3.8088 -45.8967 11.2266 TIMING: 2387600 CPU: 7545.26, 0.00317702/step Wall: 7545.26, 0.00317702/step, 2.30545 hours remaining, 238.601562 MB of memory in use. ENERGY: 2387600 4106.5916 20597.5948 14363.0502 239.4961 -203192.0601 2557.5510 0.0000 0.0000 52037.8393 -109289.9372 299.0622 -161327.7765 -108936.8713 299.5501 -226.0327 -198.5207 761647.4840 14.7237 14.8453 PRESSURE: 2387800 90.7467 53.8235 2.60835 53.8239 32.0668 -32.1734 2.60899 -32.1723 -43.6284 GPRESSURE: 2387800 151.212 134.054 -151.025 59.0601 -17.1263 -62.0142 160.334 -122.794 22.5356 PRESSAVG: 2387800 -24.3275 -15.8638 7.28934 -15.8638 44.3753 -37.3408 7.28936 -37.3408 -11.6358 GPRESSAVG: 2387800 -24.4959 -17.0879 8.83013 -15.2213 44.7172 -37.3517 7.31816 -37.2485 -11.9928 TIMING: 2387800 CPU: 7545.89, 0.0031595/step Wall: 7545.89, 0.0031595/step, 2.29257 hours remaining, 238.601562 MB of memory in use. ENERGY: 2387800 3965.5872 20534.0942 14389.3097 212.4188 -203158.2107 2709.8097 0.0000 0.0000 52042.2756 -109304.7154 299.0877 -161346.9911 -108946.3145 299.0790 26.3950 52.2072 762749.5256 2.8040 2.7428 PRESSURE: 2388000 -475.545 -216.092 304.61 -216.092 38.6022 -98.7698 304.611 -98.7704 175.828 GPRESSURE: 2388000 -467.434 -156.035 240.516 -252.204 92.2044 -133.026 347.404 -25.3391 193.713 PRESSAVG: 2388000 -1.73539 -61.1388 44.5165 -61.1389 -47.9422 11.7169 44.5164 11.7169 13.624 GPRESSAVG: 2388000 -1.78771 -59.5008 44.4154 -60.9476 -47.5829 10.2902 42.1928 15.9121 13.5094 TIMING: 2388000 CPU: 7546.52, 0.00315686/step Wall: 7546.52, 0.00315686/step, 2.29047 hours remaining, 238.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2388000 3922.9507 20657.4783 14444.3530 226.7500 -203254.2727 2546.6801 0.0000 0.0000 52270.4069 -109185.6537 300.3987 -161456.0606 -108819.6971 299.8515 -87.0381 -60.5056 761760.5459 -12.0178 -11.9537 PRESSURE: 2388200 -200.682 27.6001 160.967 27.6002 121.084 -217.692 160.968 -217.693 -91.1373 GPRESSURE: 2388200 -189.237 38.7007 152.777 59.094 127.72 -198.64 289.416 -127.54 -44.6124 PRESSAVG: 2388200 -1.12259 -0.612768 35.1049 -0.61285 5.96853 23.0773 35.1049 23.0773 5.19826 GPRESSAVG: 2388200 -1.45282 -2.68281 33.5443 -1.82444 5.98576 23.4198 36.6564 21.5241 5.22964 TIMING: 2388200 CPU: 7547.16, 0.00320021/step Wall: 7547.16, 0.00320021/step, 2.32175 hours remaining, 238.601562 MB of memory in use. ENERGY: 2388200 3957.5982 20562.5865 14386.4363 240.2461 -202494.7339 2186.6380 0.0000 0.0000 52023.8070 -109137.4218 298.9815 -161161.2288 -108782.1445 299.6677 -56.9118 -35.3766 762295.2683 3.3481 3.2542 LDB: ============= START OF LOAD BALANCING ============== 7559.56 LDB: ============== END OF LOAD BALANCING =============== 7559.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7559.56 LDB: ============= START OF LOAD BALANCING ============== 7559.88 LDB: Largest compute 7075 load 0.033026 is 16.8% of average load 0.196019 LDB: Average compute 0.004382 is 2.2% of average load 0.196019 LDB: TIME 7559.89 LOAD: AVG 0.196019 MAX 0.221429 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.055 MB LDB: TIME 7559.89 LOAD: AVG 0.196019 MAX 0.221429 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.094 MB LDB: TIME 7559.89 LOAD: AVG 0.196019 MAX 0.216645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.094 MB LDB: ============== END OF LOAD BALANCING =============== 7559.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7559.89 PRESSURE: 2388400 50.4461 -6.94859 52.6157 -6.94884 0.406849 -89.7008 52.6159 -89.7013 1.59913 GPRESSURE: 2388400 28.0016 47.8021 -34.8421 91.2602 24.9673 -154.696 -8.66739 -21.5669 88.8512 PRESSAVG: 2388400 -40.0878 7.5649 13.6054 7.56492 58.0904 4.76888 13.6055 4.76884 20.8318 GPRESSAVG: 2388400 -39.2169 8.31265 14.783 8.2343 57.3347 4.24709 13.6605 3.33807 20.492 TIMING: 2388400 CPU: 7547.81, 0.00324947/step Wall: 7547.81, 0.00324947/step, 2.35731 hours remaining, 239.316406 MB of memory in use. ENERGY: 2388400 3971.9476 20549.3699 14449.1045 257.3392 -202608.6522 2230.3308 0.0000 0.0000 52090.0924 -109060.4678 299.3625 -161150.5602 -108697.0667 299.6110 17.4840 47.2734 760603.7215 12.9448 12.8699 PRESSURE: 2388600 -124.95 84.8583 292.775 84.8589 -12.4903 24.9121 292.777 24.9109 -219.007 GPRESSURE: 2388600 -74.3867 121.208 236.764 37.7773 50.4447 87.4997 206.813 29.8987 -262.39 PRESSAVG: 2388600 -16.6698 -20.0756 0.731519 -20.0756 -14.2249 59.0371 0.731556 59.037 -8.56701 GPRESSAVG: 2388600 -18.9869 -20.613 -0.569271 -20.7441 -13.3104 59.1411 0.228008 60.4588 -7.93522 TIMING: 2388600 CPU: 7548.44, 0.00315505/step Wall: 7548.44, 0.00315505/step, 2.28864 hours remaining, 239.519531 MB of memory in use. ENERGY: 2388600 4066.1495 20556.1161 14375.2604 251.3539 -202878.2818 2529.4427 0.0000 0.0000 52106.0472 -108993.9121 299.4542 -161099.9593 -108638.4098 299.9608 -118.8157 -95.4441 761585.9777 -13.1539 -13.4108 PRESSURE: 2388800 -27.4541 293.988 -16.6942 293.989 -182.327 146.716 -16.6938 146.717 -15.4053 GPRESSURE: 2388800 55.585 301.358 11.8224 261.138 -219.925 88.0342 22.7437 206.244 42.329 PRESSAVG: 2388800 29.566 48.4355 15.5653 48.4355 -64.2482 34.7161 15.5653 34.7161 -20.8579 GPRESSAVG: 2388800 30.6154 49.0346 16.3063 48.653 -65.0657 32.9186 14.6537 34.7065 -20.8612 TIMING: 2388800 CPU: 7549.08, 0.00317499/step Wall: 7549.08, 0.00317499/step, 2.30293 hours remaining, 239.519531 MB of memory in use. ENERGY: 2388800 3968.2804 20437.8448 14411.5641 258.1626 -202558.2063 2217.1953 0.0000 0.0000 52234.8454 -109030.3135 300.1944 -161265.1590 -108662.9785 300.0608 -75.0622 -40.6705 761757.6802 -18.5134 -18.4372 PRESSURE: 2389000 -10.7212 -75.7834 10.4347 -75.7831 286.846 -59.1536 10.435 -59.1535 232.719 GPRESSURE: 2389000 5.35813 -0.184751 52.0545 -13.9695 300.402 -89.3704 -26.6078 25.8254 259.8 PRESSAVG: 2389000 -24.3018 6.83401 25.7237 6.83404 40.359 -17.493 25.7236 -17.4931 10.9728 GPRESSAVG: 2389000 -24.8275 6.62548 25.6517 5.46914 41.4725 -18.2733 26.1216 -17.6086 10.4555 TIMING: 2389000 CPU: 7549.71, 0.00317486/step Wall: 7549.71, 0.00317486/step, 2.30265 hours remaining, 239.519531 MB of memory in use. ENERGY: 2389000 3988.8140 20480.5460 14424.4355 234.9551 -203078.6343 2579.7240 0.0000 0.0000 52317.1082 -109053.0516 300.6671 -161370.1598 -108698.5663 300.0588 169.6146 188.5201 761584.0268 9.0100 9.0335 PRESSURE: 2389200 28.8729 -66.438 -294.01 -66.4379 -352.589 -285.441 -294.011 -285.44 -387.313 GPRESSURE: 2389200 83.7698 -67.2953 -249.717 -136.435 -394.262 -260.536 -337.8 -326.24 -350.11 PRESSAVG: 2389200 -43.7359 -0.0698193 -30.3154 -0.0698153 20.8493 -55.9194 -30.3154 -55.9194 11.1975 GPRESSAVG: 2389200 -43.6318 -0.535952 -28.5702 1.64566 20.0088 -53.8693 -31.6214 -57.268 11.3395 TIMING: 2389200 CPU: 7550.35, 0.00318279/step Wall: 7550.35, 0.00318279/step, 2.30823 hours remaining, 239.519531 MB of memory in use. ENERGY: 2389200 3976.5724 20532.2494 14456.2641 253.5935 -202606.2222 2240.5034 0.0000 0.0000 52083.4130 -109063.6263 299.3241 -161147.0393 -108697.1583 299.7242 -237.0097 -220.2006 763277.7826 -3.8964 -4.0945 PRESSURE: 2389400 88.552 -58.905 -313.771 -58.906 23.8831 287.917 -313.771 287.917 140.723 GPRESSURE: 2389400 155.942 -120.904 -245.788 -17.6527 77.9059 301.63 -327.83 198.341 124.339 PRESSAVG: 2389400 7.82896 -19.5181 29.9241 -19.5182 -28.8885 -9.75906 29.9241 -9.7591 8.46343 GPRESSAVG: 2389400 9.14179 -19.3719 29.5354 -19.2015 -29.1385 -10.2708 29.9205 -9.20974 6.85757 TIMING: 2389400 CPU: 7550.98, 0.00316543/step Wall: 7550.98, 0.00316543/step, 2.29546 hours remaining, 239.519531 MB of memory in use. ENERGY: 2389400 3946.8376 20415.1377 14445.9145 263.2122 -202972.1022 2621.8811 0.0000 0.0000 52213.4600 -109065.6591 300.0715 -161279.1191 -108692.3189 299.2934 84.3862 119.3956 762949.2542 -4.1987 -4.3797 PRESSURE: 2389600 104.19 15.1386 140.469 15.1383 -231.745 -96.5374 140.469 -96.5365 32.2756 GPRESSURE: 2389600 -3.557 -16.4601 137.047 -73.8594 -121.284 -159.245 44.1485 -51.3737 112.013 PRESSAVG: 2389600 -20.132 18.6025 -38.1954 18.6025 17.1792 35.4687 -38.1954 35.4688 20.6445 GPRESSAVG: 2389600 -21.9771 18.6047 -38.2433 16.7905 17.4741 36.5161 -37.5328 35.9333 21.8666 TIMING: 2389600 CPU: 7551.62, 0.00317438/step Wall: 7551.62, 0.00317438/step, 2.30177 hours remaining, 239.519531 MB of memory in use. ENERGY: 2389600 3881.7784 20556.2601 14379.8009 230.2213 -202713.2533 2492.8770 0.0000 0.0000 52059.8577 -109112.4580 299.1887 -161172.3157 -108762.3730 299.6339 -31.7598 -4.2759 763573.6910 5.8973 5.7879 PRESSURE: 2389800 223.731 222.211 -121.637 222.211 -64.4677 103.384 -121.637 103.385 -98.7426 GPRESSURE: 2389800 127.661 149.943 -159.283 194.018 57.833 270.294 -231.511 -23.1057 -39.5424 PRESSAVG: 2389800 -77.775 -29.95 -37.1767 -29.95 64.7723 68.834 -37.1767 68.834 -0.930858 GPRESSAVG: 2389800 -78.2052 -29.9837 -38.16 -26.9325 65.5342 68.3358 -36.3423 69.3533 -1.0057 TIMING: 2389800 CPU: 7552.25, 0.00316622/step Wall: 7552.25, 0.00316622/step, 2.29568 hours remaining, 239.519531 MB of memory in use. ENERGY: 2389800 4009.2865 20452.9301 14315.9276 261.6884 -203080.7368 2420.1734 0.0000 0.0000 52221.5821 -109399.1487 300.1182 -161620.7309 -109029.9631 299.2727 20.1735 48.6506 762851.0663 -4.6445 -4.5589 PRESSURE: 2390000 -58.0529 -168.652 263.672 -168.651 -12.9408 130.374 263.672 130.375 199.07 GPRESSURE: 2390000 22.0218 -155.43 257.395 -174.176 -5.09046 144.9 268.768 246.582 201.825 PRESSAVG: 2390000 -75.6657 -5.51661 -35.9635 -5.51652 42.8002 -8.26905 -35.9635 -8.26912 -4.10112 GPRESSAVG: 2390000 -74.2353 -4.68691 -35.8997 -7.44662 41.6274 -8.09109 -35.8712 -9.80412 -4.33912 TIMING: 2390000 CPU: 7552.88, 0.00314936/step Wall: 7552.88, 0.00314936/step, 2.28328 hours remaining, 239.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2390000 3973.9342 20516.8975 14357.2749 260.1324 -203043.5065 2800.2973 0.0000 0.0000 51851.6191 -109283.3512 297.9920 -161134.9703 -108919.3818 298.8982 42.6920 72.9189 763149.7913 -12.3222 -12.3157 PRESSURE: 2390200 55.5552 -92.7432 51.8803 -92.7417 58.9549 -247.619 51.8798 -247.619 62.9663 GPRESSURE: 2390200 44.378 -125.506 79.6033 -50.3843 130.363 -167.117 62.2082 -302.368 91.5527 PRESSAVG: 2390200 -15.6576 -20.9015 21.671 -20.9015 25.108 -14.9455 21.6709 -14.9456 11.9484 GPRESSAVG: 2390200 -13.9699 -20.3397 23.2907 -23.0124 24.7339 -13.1744 21.0941 -15.6344 10.9185 TIMING: 2390200 CPU: 7553.51, 0.00314792/step Wall: 7553.51, 0.00314791/step, 2.28206 hours remaining, 239.519531 MB of memory in use. ENERGY: 2390200 3926.5031 20442.5546 14366.3592 268.6988 -203135.7494 2517.0973 0.0000 0.0000 52061.2029 -109553.3334 299.1964 -161614.5363 -109192.2193 299.2393 59.1588 88.7644 761389.0004 7.1329 7.2275 PRESSURE: 2390400 -34.1037 -60.9262 57.3458 -60.9259 -103.401 234.53 57.3465 234.529 -178.226 GPRESSURE: 2390400 -163.397 -11.8904 19.7882 -65.918 -10.9411 214.507 75.768 25.298 -66.1696 PRESSAVG: 2390400 -13.4556 -24.0797 -8.20349 -24.0797 -13.3477 -63.4602 -8.20343 -63.4603 -20.6942 GPRESSAVG: 2390400 -14.8378 -23.7361 -8.58434 -22.0133 -12.9261 -66.0898 -7.32231 -62.5222 -20.2248 TIMING: 2390400 CPU: 7554.14, 0.00315239/step Wall: 7554.14, 0.00315239/step, 2.28513 hours remaining, 239.519531 MB of memory in use. ENERGY: 2390400 4057.9559 20431.5726 14391.4666 264.3002 -203275.0625 2542.2261 0.0000 0.0000 51840.0648 -109747.4763 297.9256 -161587.5411 -109397.7412 298.5846 -105.2434 -80.1691 760939.0146 -15.8325 -15.9962 PRESSURE: 2390600 -178.989 39.7276 54.7126 39.7273 -14.3326 -27.7883 54.713 -27.7876 240.14 GPRESSURE: 2390600 -99.069 -55.5851 -51.7349 43.7439 -25.3481 -72.5273 -18.1769 78.4172 246.115 PRESSAVG: 2390600 -5.80632 -6.90683 61.7226 -6.90683 22.5943 -0.988046 61.7226 -0.987974 7.60839 GPRESSAVG: 2390600 -6.95316 -6.9701 61.3938 -4.81769 23.5725 -1.23942 59.7205 0.390361 7.50775 TIMING: 2390600 CPU: 7554.77, 0.00317612/step Wall: 7554.77, 0.00317612/step, 2.30216 hours remaining, 239.519531 MB of memory in use. ENERGY: 2390600 3944.9875 20642.0681 14332.5362 259.2328 -203043.3132 2499.2014 0.0000 0.0000 51822.9784 -109542.3087 297.8274 -161365.2871 -109185.9602 298.9012 15.6061 40.5659 761808.0799 8.1321 8.0424 PRESSURE: 2390800 296.12 152.132 128.663 152.132 177.764 146.358 128.663 146.358 -141.765 GPRESSURE: 2390800 232.74 118.336 40.8395 21.3528 294.169 72.7144 211.363 58.8787 -90.2448 PRESSAVG: 2390800 5.87055 10.9478 65.275 10.9478 28.0144 58.1468 65.275 58.1468 4.64362 GPRESSAVG: 2390800 7.57267 11.6726 65.2692 7.70011 26.0582 59.0304 66.8382 56.7864 4.78272 TIMING: 2390800 CPU: 7555.41, 0.00317132/step Wall: 7555.41, 0.00317132/step, 2.2985 hours remaining, 239.519531 MB of memory in use. ENERGY: 2390800 4034.1004 20434.1682 14300.2683 273.0610 -203563.2866 2618.3906 0.0000 0.0000 52176.3180 -109726.9802 299.8580 -161903.2982 -109364.5584 299.5093 110.7060 145.5549 758658.0241 12.8429 12.8045 PRESSURE: 2391000 -132.643 93.7994 -120.392 93.7971 -297.487 149.1 -120.392 149.101 124.526 GPRESSURE: 2391000 -167.679 -45.9946 -57.6062 43.7457 -205.403 73.2084 -100.132 58.2792 167.892 PRESSAVG: 2391000 -4.83724 29.915 10.2362 29.9149 40.5066 45.3422 10.2362 45.3421 -9.59451 GPRESSAVG: 2391000 -5.90737 28.1727 11.7598 31.7752 41.7826 44.015 9.56506 46.7308 -9.73804 TIMING: 2391000 CPU: 7556.04, 0.00317627/step Wall: 7556.04, 0.00317627/step, 2.30191 hours remaining, 239.519531 MB of memory in use. ENERGY: 2391000 3983.6180 20575.3247 14366.6262 246.3329 -203155.5492 2364.6466 0.0000 0.0000 52032.1583 -109586.8426 299.0295 -161619.0009 -109239.8900 299.1129 -101.8681 -68.3965 760995.0942 8.6916 8.7124 PRESSURE: 2391200 90.8763 25.971 127.054 25.9707 109.242 -2.48796 127.053 -2.48841 -499.726 GPRESSURE: 2391200 122.137 -12.0925 33.0231 128.05 48.174 -4.80243 119.821 -42.7637 -390.394 PRESSAVG: 2391200 53.3568 3.35151 57.468 3.35147 -45.9012 -23.7766 57.4681 -23.7766 -11.8291 GPRESSAVG: 2391200 52.1212 2.46826 56.8899 4.89712 -47.0962 -22.5304 57.8044 -23.9983 -9.92108 TIMING: 2391200 CPU: 7556.68, 0.00318136/step Wall: 7556.68, 0.00318136/step, 2.30542 hours remaining, 239.519531 MB of memory in use. ENERGY: 2391200 4017.3858 20467.7172 14380.8545 267.9314 -203052.4136 2447.5934 0.0000 0.0000 51837.4001 -109633.5312 297.9103 -161470.9313 -109277.5182 298.9559 -99.8691 -73.3611 760946.5840 -1.4578 -1.6320 PRESSURE: 2391400 -98.3057 -96.7783 -41.0005 -96.7784 265.919 -195.512 -41.0001 -195.512 -368.041 GPRESSURE: 2391400 -116.766 -168.963 -38.9693 -151.316 332.755 -186.672 -78.9366 -118.543 -327.213 PRESSAVG: 2391400 26.7882 -4.7349 48.0205 -4.73488 -38.1736 6.84528 48.0205 6.84527 18.7772 GPRESSAVG: 2391400 27.8025 -2.42911 46.2734 -6.52237 -38.7639 7.25973 47.175 6.91068 18.2047 TIMING: 2391400 CPU: 7557.31, 0.00316027/step Wall: 7557.31, 0.00316027/step, 2.28997 hours remaining, 239.519531 MB of memory in use. ENERGY: 2391400 3987.2132 20523.8987 14410.7535 272.2853 -203484.3378 2676.7106 0.0000 0.0000 52028.0940 -109585.3823 299.0062 -161613.4764 -109227.0345 298.9096 -66.8092 -37.0746 762037.8785 2.4639 2.4145 PRESSURE: 2391600 -243.372 -127.101 13.6442 -127.101 -544.963 167.803 13.645 167.802 -305.234 GPRESSURE: 2391600 -232.899 -67.2512 64.5667 -30.9269 -466.892 125.862 6.33793 114.066 -304.467 PRESSAVG: 2391600 41.7859 -41.8891 -7.63478 -41.8891 -10.8453 -11.634 -7.6348 -11.6341 -1.3904 GPRESSAVG: 2391600 40.191 -42.4216 -5.41569 -40.2648 -8.36195 -13.2909 -7.15933 -11.2108 -2.74524 TIMING: 2391600 CPU: 7557.94, 0.00316231/step Wall: 7557.94, 0.00316231/step, 2.29127 hours remaining, 239.519531 MB of memory in use. ENERGY: 2391600 4059.9721 20452.4895 14442.2251 253.7745 -203138.6201 2322.8344 0.0000 0.0000 52179.4426 -109427.8819 299.8760 -161607.3245 -109059.4343 299.3405 -364.5231 -334.7527 762213.4576 9.8501 9.6946 PRESSURE: 2391800 -203.477 137.811 -117.243 137.811 -362.979 -194.667 -117.244 -194.668 -86.1318 GPRESSURE: 2391800 -119.188 62.2814 -111.648 208.6 -336.918 -227.584 -65.1495 -73.7543 -109.228 PRESSAVG: 2391800 -15.5917 25.3585 -33.6699 25.3585 -63.5745 6.56156 -33.6699 6.56153 -3.94099 GPRESSAVG: 2391800 -14.3923 25.4995 -34.4155 26.3239 -65.8942 7.00213 -33.7651 5.39922 -2.92034 TIMING: 2391800 CPU: 7558.58, 0.00315793/step Wall: 7558.58, 0.00315793/step, 2.28792 hours remaining, 239.519531 MB of memory in use. ENERGY: 2391800 3986.1632 20427.2464 14378.4687 264.8300 -203537.2107 2661.2952 0.0000 0.0000 52206.7891 -109612.4183 300.0331 -161819.2074 -109245.9431 299.1721 -217.5290 -188.4446 762887.1059 -27.7024 -27.7356 PRESSURE: 2392000 -556.654 -178.861 42.927 -178.861 -700.444 95.3869 42.9263 95.3856 -166.096 GPRESSURE: 2392000 -534.695 -90.4051 107.989 -140.647 -605.077 15.6507 34.4329 109.225 -178.169 PRESSAVG: 2392000 63.6234 -41.8049 -73.8234 -41.8049 -28.2847 10.1623 -73.8234 10.1622 14.9571 GPRESSAVG: 2392000 63.6988 -41.088 -74.6063 -43.2844 -27.5558 10.4327 -71.9946 10.4494 14.1302 TIMING: 2392000 CPU: 7559.2, 0.00314462/step Wall: 7559.2, 0.00314462/step, 2.2781 hours remaining, 239.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2392000 4016.7475 20355.5244 14441.4687 268.0581 -203076.9600 2397.1660 0.0000 0.0000 52025.1087 -109572.8865 298.9890 -161597.9952 -109204.6568 298.8356 -474.3981 -439.3136 761978.9904 16.7653 16.7577 PRESSURE: 2392200 236.808 80.5048 94.9367 80.5045 -87.8097 10.4332 94.9365 10.4329 169.24 GPRESSURE: 2392200 265.721 -45.8159 118.248 13.5751 -17.2028 8.74775 -31.0806 114.736 157.34 PRESSAVG: 2392200 -92.3362 -22.0475 -44.7548 -22.0474 78.5768 -28.4267 -44.7548 -28.4268 4.86326 GPRESSAVG: 2392200 -93.5245 -23.2921 -43.9471 -20.4973 78.2057 -28.7974 -46.1154 -29.43 6.16728 TIMING: 2392200 CPU: 7559.84, 0.00316786/step Wall: 7559.84, 0.00316786/step, 2.29476 hours remaining, 239.519531 MB of memory in use. ENERGY: 2392200 3951.1586 20607.4688 14471.4717 236.4183 -203135.0086 2509.6644 0.0000 0.0000 52052.2661 -109306.5607 299.1451 -161358.8267 -108949.1122 299.0666 106.0795 135.2862 762618.0854 -2.9654 -3.0505 LDB: ============= START OF LOAD BALANCING ============== 7572.24 LDB: ============== END OF LOAD BALANCING =============== 7572.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7572.24 LDB: ============= START OF LOAD BALANCING ============== 7572.56 LDB: Largest compute 7058 load 0.033911 is 17.3% of average load 0.196007 LDB: Average compute 0.004384 is 2.2% of average load 0.196007 LDB: TIME 7572.56 LOAD: AVG 0.196007 MAX 0.217765 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 7572.56 LOAD: AVG 0.196007 MAX 0.217765 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.73 MB LDB: TIME 7572.56 LOAD: AVG 0.196007 MAX 0.217765 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.73 MB LDB: ============== END OF LOAD BALANCING =============== 7572.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7572.57 PRESSURE: 2392400 -85.4804 -111.596 -8.18918 -111.596 -178.324 154.341 -8.18977 154.341 -195.662 GPRESSURE: 2392400 -57.9878 -111.742 -15.2236 -78.3548 -217.331 69.5063 -46.3668 222.084 -101.018 PRESSAVG: 2392400 -9.17446 8.23838 13.9496 8.23847 11.6801 32.4146 13.9496 32.4146 -10.7504 GPRESSAVG: 2392400 -9.45911 8.5469 13.0461 7.70031 12.6077 32.0919 13.7889 32.9199 -10.6395 TIMING: 2392400 CPU: 7560.48, 0.00323062/step Wall: 7560.48, 0.00323062/step, 2.34005 hours remaining, 238.269531 MB of memory in use. ENERGY: 2392400 3980.4092 20641.8561 14396.1902 243.6125 -202776.7991 2062.7903 0.0000 0.0000 52210.0587 -109241.8820 300.0519 -161451.9408 -108870.2696 299.7229 -153.1556 -125.4455 762494.3736 -2.7482 -2.4970 PRESSURE: 2392600 69.0578 -156.699 -72.0931 -156.698 -382.564 26.0113 -72.0924 26.0111 -243.02 GPRESSURE: 2392600 52.7065 -170.63 20.7817 -183.115 -309.95 -27.6153 -62.0485 86.1601 -222.823 PRESSAVG: 2392600 70.8521 44.0033 -6.72106 44.0033 -20.9828 30.7023 -6.72114 30.7022 30.6128 GPRESSAVG: 2392600 71.3143 43.8485 -7.40315 41.5248 -21.7462 31.1705 -7.98928 30.4188 31.0925 TIMING: 2392600 CPU: 7561.12, 0.00316811/step Wall: 7561.12, 0.00316811/step, 2.29459 hours remaining, 238.269531 MB of memory in use. ENERGY: 2392600 3948.1075 20610.3011 14421.4012 250.3762 -203215.3110 2417.6236 0.0000 0.0000 52195.5868 -109371.9147 299.9688 -161567.5015 -109006.0590 299.7218 -185.5087 -160.0223 760316.8165 26.8274 26.8869 PRESSURE: 2392800 -151.089 65.2292 101.695 65.2286 -163.908 167.592 101.695 167.592 29.0865 GPRESSURE: 2392800 -44.815 128.259 59.3626 159.419 -159.402 110.647 228.486 22.9108 12.8653 PRESSAVG: 2392800 14.0581 -9.64836 8.25114 -9.6484 -35.8838 73.5401 8.2512 73.5402 -8.68307 GPRESSAVG: 2392800 15.1569 -8.66009 9.97533 -7.70146 -36.0589 75.3842 12.2577 72.7552 -9.98919 TIMING: 2392800 CPU: 7561.75, 0.00318365/step Wall: 7561.75, 0.00318365/step, 2.30567 hours remaining, 238.269531 MB of memory in use. ENERGY: 2392800 3932.6819 20705.4776 14439.5617 227.5432 -203398.8632 2367.3207 0.0000 0.0000 52221.4022 -109504.8759 300.1171 -161726.2781 -109147.4757 299.6713 -95.3036 -63.7838 761167.6062 -10.1696 -10.2971 PRESSURE: 2393000 281.57 -36.2747 18.4887 -36.2743 144.32 -48.6419 18.4882 -48.6407 -582.064 GPRESSURE: 2393000 193.952 -98.7978 8.07313 -76.0962 216.535 -53.5467 -188.264 -225.051 -484.453 PRESSAVG: 2393000 21.1728 27.3952 8.69927 27.3952 8.95987 21.1202 8.69924 21.1202 -14.0482 GPRESSAVG: 2393000 19.5065 26.0907 9.40349 26.7928 10.5628 19.8326 5.36057 21.8709 -13.7134 TIMING: 2393000 CPU: 7562.4, 0.00320155/step Wall: 7562.4, 0.00320156/step, 2.31846 hours remaining, 238.269531 MB of memory in use. ENERGY: 2393000 3990.9326 20590.8231 14352.9144 254.7662 -203571.0481 2686.6636 0.0000 0.0000 52416.9830 -109277.9651 301.2411 -161694.9481 -108907.3752 300.0447 -52.0578 -24.6555 762577.1261 5.3615 5.4520 PRESSURE: 2393200 -82.7413 36.6102 9.30572 36.61 43.9005 0.211059 9.3065 0.209914 -171.044 GPRESSURE: 2393200 -8.7008 98.7634 -9.73425 -30.6221 8.81139 54.4936 133.462 -26.2072 -127.393 PRESSAVG: 2393200 -18.2135 7.37538 25.5175 7.37542 50.7061 0.979541 25.5175 0.979604 4.88977 GPRESSAVG: 2393200 -18.2818 7.82117 22.5177 7.49136 49.9979 -0.0999132 26.4093 0.288139 4.87841 TIMING: 2393200 CPU: 7563.04, 0.00320185/step Wall: 7563.04, 0.00320185/step, 2.3185 hours remaining, 238.269531 MB of memory in use. ENERGY: 2393200 4043.0291 20639.1957 14433.3954 269.9031 -204054.8534 2995.1010 0.0000 0.0000 52350.2805 -109323.9487 300.8578 -161674.2292 -108965.5657 300.2005 -69.9615 -42.4273 760824.3899 12.4608 12.1982 PRESSURE: 2393400 7.76432 74.1258 128.015 74.1256 29.3594 -183.207 128.015 -183.207 318.364 GPRESSURE: 2393400 83.9625 -26.5469 150.041 12.0061 169.794 -135.09 125.248 -65.7711 193.845 PRESSAVG: 2393400 13.7875 -42.2047 55.7355 -42.2048 19.7872 18.7207 55.7355 18.7207 -27.5802 GPRESSAVG: 2393400 14.3832 -39.1129 57.5036 -43.2503 19.0809 18.9659 56.1547 19.7407 -27.4512 TIMING: 2393400 CPU: 7563.68, 0.00319838/step Wall: 7563.68, 0.00319838/step, 2.31581 hours remaining, 238.269531 MB of memory in use. ENERGY: 2393400 3993.3654 20667.3206 14424.1103 249.8453 -203755.1172 2921.2294 0.0000 0.0000 52084.6089 -109414.6374 299.3310 -161499.2463 -109050.0724 299.6840 118.4959 149.2006 762110.2506 1.9982 2.0043 PRESSURE: 2393600 -132.733 71.513 -58.546 71.5132 3.49771 -59.4939 -58.5463 -59.4934 -208.961 GPRESSURE: 2393600 -76.4398 49.6471 -10.9933 60.2649 -9.24731 -68.8416 32.4366 47.7451 -160.749 PRESSAVG: 2393600 -20.1974 -28.4305 11.5217 -28.4305 40.8394 25.9249 11.5216 25.9249 3.6613 GPRESSAVG: 2393600 -19.702 -31.6897 11.2337 -27.4049 40.6161 26.4966 11.4054 27.7171 3.71606 TIMING: 2393600 CPU: 7564.32, 0.00321877/step Wall: 7564.32, 0.00321877/step, 2.33039 hours remaining, 238.269531 MB of memory in use. ENERGY: 2393600 4014.6633 20708.3937 14406.9318 243.3171 -203143.0563 2421.3859 0.0000 0.0000 51922.5033 -109425.8610 298.3993 -161348.3644 -109069.0776 299.4705 -112.7321 -82.1454 760924.9653 8.1011 8.2100 PRESSURE: 2393800 -302.192 -121.767 45.7664 -121.767 357.309 49.549 45.766 49.5495 267.548 GPRESSURE: 2393800 -169.675 -190.785 52.3844 -140.826 235.388 48.1991 -17.7239 2.6926 342.146 PRESSAVG: 2393800 -15.8559 -90.0841 26.5635 -90.0841 25.5932 22.1679 26.5635 22.1679 4.53736 GPRESSAVG: 2393800 -15.2456 -89.5428 26.3214 -91.7725 25.3063 22.0742 28.0015 20.5987 4.20135 TIMING: 2393800 CPU: 7564.96, 0.00318538/step Wall: 7564.96, 0.00318538/step, 2.30604 hours remaining, 238.269531 MB of memory in use. ENERGY: 2393800 3895.7516 20624.5801 14387.1521 269.2957 -203715.7536 2807.4935 0.0000 0.0000 52181.3808 -109550.0998 299.8871 -161731.4806 -109177.2945 299.5020 107.5550 135.9530 761793.3450 4.7582 4.7540 PRESSURE: 2394000 24.1135 272.956 60.6347 272.955 7.66205 152.271 60.6356 152.272 -101.067 GPRESSURE: 2394000 -2.81441 195.66 1.70505 143.818 155.058 169.194 19.6963 221.355 -124.734 PRESSAVG: 2394000 -27.6675 -33.1819 -30.3056 -33.1819 -1.31975 47.3527 -30.3056 47.3527 -24.1094 GPRESSAVG: 2394000 -26.942 -35.2576 -30.4239 -29.3764 -1.22245 46.4922 -31.8193 47.3534 -24.7466 TIMING: 2394000 CPU: 7565.59, 0.00316197/step Wall: 7565.59, 0.00316197/step, 2.28891 hours remaining, 238.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2394000 3851.3780 20704.2177 14370.3789 260.6607 -203337.9523 2643.8668 0.0000 0.0000 51961.3007 -109546.1494 298.6223 -161507.4501 -109193.4102 299.3678 -23.0972 9.1701 760675.8005 -17.6989 -17.6370 PRESSURE: 2394200 -88.3068 77.5372 203.058 77.5374 -99.5283 15.1574 203.058 15.1576 90.4367 GPRESSURE: 2394200 -6.6849 -12.8466 74.9835 121.252 -98.5305 -102.545 20.3153 -28.3369 100.381 PRESSAVG: 2394200 -18.6603 3.12973 10.9713 3.12979 36.8075 -34.3261 10.9714 -34.3263 -4.78681 GPRESSAVG: 2394200 -18.7829 5.94476 10.5059 0.623744 36.4433 -33.303 11.3874 -34.0757 -4.56818 TIMING: 2394200 CPU: 7566.23, 0.00318583/step Wall: 7566.23, 0.00318583/step, 2.30601 hours remaining, 238.269531 MB of memory in use. ENERGY: 2394200 3926.4887 20499.8244 14437.0984 250.1576 -203696.6548 2801.2590 0.0000 0.0000 52240.1597 -109541.6669 300.2249 -161781.8267 -109176.6435 299.4508 -32.4661 -1.6114 759961.0518 4.4535 4.3641 PRESSURE: 2394400 -80.2759 -84.5057 -12.0897 -84.5054 -52.6175 69.7604 -12.0904 69.7596 -72.9203 GPRESSURE: 2394400 -93.6473 -40.4078 -42.3009 -16.2364 -26.0013 83.5028 13.7441 18.5805 -21.348 PRESSAVG: 2394400 -11.4675 -33.5966 21.3692 -33.5966 -23.99 -33.1109 21.3692 -33.1109 -24.3784 GPRESSAVG: 2394400 -12.3476 -33.7201 22.0195 -33.2911 -23.5182 -32.6373 21.9983 -33.5202 -23.8346 TIMING: 2394400 CPU: 7566.86, 0.00317499/step Wall: 7566.86, 0.00317499/step, 2.29798 hours remaining, 238.269531 MB of memory in use. ENERGY: 2394400 3992.6036 20604.5919 14394.9447 256.1096 -203221.6862 2388.3564 0.0000 0.0000 52080.8015 -109504.2784 299.3091 -161585.0800 -109147.0000 299.0938 -68.6046 -46.9989 760749.6560 -19.9453 -19.9001 PRESSURE: 2394600 187.354 -157.269 -260.721 -157.268 283.5 -272.489 -260.721 -272.488 226.293 GPRESSURE: 2394600 258.386 -85.9519 -191.332 -155.359 329.324 -302.113 -170.864 -183.207 191.044 PRESSAVG: 2394600 14.9551 -41.6607 -16.6158 -41.6606 -35.8132 -58.8053 -16.6158 -58.8052 7.74707 GPRESSAVG: 2394600 14.9043 -41.9263 -14.6713 -41.5577 -35.9691 -57.8084 -18.0619 -58.9231 8.50121 TIMING: 2394600 CPU: 7567.49, 0.00314667/step Wall: 7567.49, 0.00314667/step, 2.27732 hours remaining, 238.269531 MB of memory in use. ENERGY: 2394600 3920.3312 20737.3281 14374.0654 244.6442 -203252.6086 2708.8067 0.0000 0.0000 51740.9035 -109526.5294 297.3557 -161267.4329 -109172.1977 298.9033 232.3822 259.5849 760084.0480 -4.3703 -4.1879 PRESSURE: 2394800 29.8035 -47.7181 -24.5157 -47.7181 -246.092 -55.3542 -24.5157 -55.354 231.382 GPRESSURE: 2394800 188.146 -11.7565 -40.7881 -69.5729 -168.188 -65.7852 102.274 -102.619 91.261 PRESSAVG: 2394800 8.54069 -26.5991 -11.4867 -26.5992 -4.53714 -17.7376 -11.4868 -17.7377 -0.475103 GPRESSAVG: 2394800 8.35719 -26.2778 -14.7935 -27.025 -3.48458 -19.0998 -9.29582 -16.791 -0.637831 TIMING: 2394800 CPU: 7568.12, 0.00315731/step Wall: 7568.12, 0.00315731/step, 2.28484 hours remaining, 238.269531 MB of memory in use. ENERGY: 2394800 4011.3323 20623.4686 14343.3779 256.8955 -202899.9045 2469.4787 0.0000 0.0000 51877.8463 -109317.5052 298.1427 -161195.3515 -108964.1489 299.2284 5.0313 37.0731 762304.5459 1.1762 1.4116 PRESSURE: 2395000 125.872 -51.4297 -0.150543 -51.429 -44.4273 -10.3865 -0.15011 -10.3871 108.991 GPRESSURE: 2395000 142.825 14.7832 6.93009 21.5309 85.8155 -49.57 -42.3896 -130.315 75.7545 PRESSAVG: 2395000 45.6147 -21.3771 -13.8521 -21.3771 -1.69767 -9.39021 -13.8521 -9.39014 23.0758 GPRESSAVG: 2395000 46.2815 -20.3431 -12.0409 -22.9877 -1.33175 -9.96513 -14.5131 -9.80124 22.3249 TIMING: 2395000 CPU: 7568.76, 0.00317754/step Wall: 7568.76, 0.00317754/step, 2.2993 hours remaining, 238.269531 MB of memory in use. ENERGY: 2395000 3971.8039 20523.2670 14368.7491 253.7337 -203225.3194 2654.9258 0.0000 0.0000 52270.9610 -109181.8789 300.4019 -161452.8399 -108821.5394 299.4481 63.4786 101.4649 760779.2239 22.3309 22.4249 PRESSURE: 2395200 182.097 -48.07 9.33436 -48.0697 -105.709 92.5595 9.33408 92.5598 14.8487 GPRESSURE: 2395200 184.914 -11.9759 10.2703 -95.5834 -62.8674 113.238 -24.6216 -36.9091 56.6183 PRESSAVG: 2395200 -66.3058 -43.8519 31.277 -43.8519 44.9535 -29.6502 31.2769 -29.6502 10.1527 GPRESSAVG: 2395200 -67.0798 -45.5126 30.8988 -44.0623 44.1919 -29.0791 31.0454 -30.9946 11.11 TIMING: 2395200 CPU: 7569.39, 0.00315416/step Wall: 7569.39, 0.00315416/step, 2.28221 hours remaining, 238.269531 MB of memory in use. ENERGY: 2395200 3963.2340 20546.0811 14442.6584 245.6551 -203906.5756 3160.1013 0.0000 0.0000 52108.1381 -109440.7077 299.4662 -161548.8458 -109081.3100 299.5310 30.4125 59.5549 761008.1299 -3.7332 -3.9260 PRESSURE: 2395400 -6.53496 -136.26 257.338 -136.26 -187.812 -117.551 257.338 -117.551 -44.9922 GPRESSURE: 2395400 100.712 -238.11 298.24 -50.9028 -160.556 -98.9137 271.415 -261.001 -85.6355 PRESSAVG: 2395400 42.583 27.1509 1.86076 27.1509 9.13145 -63.1932 1.86075 -63.1933 13.5738 GPRESSAVG: 2395400 43.28 26.1636 2.71493 30.6241 9.26867 -65.178 1.78713 -60.955 12.3802 TIMING: 2395400 CPU: 7570.02, 0.00314393/step Wall: 7570.02, 0.00314393/step, 2.27463 hours remaining, 238.269531 MB of memory in use. ENERGY: 2395400 3987.4187 20516.0914 14415.3293 252.9150 -203152.1302 2551.8630 0.0000 0.0000 52039.5164 -109388.9965 299.0718 -161428.5129 -109023.4792 298.8766 -79.7797 -48.4932 762078.7268 21.7627 21.6430 PRESSURE: 2395600 316.513 70.9824 24.5282 70.9826 44.2915 -118.502 24.528 -118.502 50.9943 GPRESSURE: 2395600 368.019 99.5865 71.5896 162.765 41.0015 -198.344 -114.429 -44.2796 102.297 PRESSAVG: 2395600 -10.3095 26.6711 54.7069 26.6711 56.5089 -49.8894 54.7069 -49.8894 19.7422 GPRESSAVG: 2395600 -10.2825 27.9654 54.254 23.6968 56.6334 -47.7493 53.5985 -51.1539 19.726 TIMING: 2395600 CPU: 7570.65, 0.00315909/step Wall: 7570.65, 0.00315909/step, 2.28543 hours remaining, 238.269531 MB of memory in use. ENERGY: 2395600 3942.8100 20414.0789 14392.9730 240.6642 -203293.6954 2599.3556 0.0000 0.0000 52334.9223 -109368.8912 300.7695 -161703.8135 -108999.8099 299.6333 137.2663 170.4390 760324.0825 21.9806 22.0256 PRESSURE: 2395800 -390.322 171.265 39.7741 171.265 9.88015 23.1226 39.7747 23.1221 44.2273 GPRESSURE: 2395800 -284.278 103.825 14.244 51.5531 21.5342 39.3763 165.163 198.29 0.897627 PRESSAVG: 2395800 33.4441 -43.501 87.9897 -43.5009 -2.82858 -27.3721 87.9898 -27.3721 -14.724 GPRESSAVG: 2395800 35.262 -46.071 86.8157 -42.2822 -4.33932 -28.5162 87.3858 -26.5993 -14.7376 TIMING: 2395800 CPU: 7571.28, 0.00317872/step Wall: 7571.28, 0.00317872/step, 2.29945 hours remaining, 238.269531 MB of memory in use. ENERGY: 2395800 4068.9591 20614.5919 14384.6799 252.2374 -202945.1247 2416.3623 0.0000 0.0000 51875.2227 -109333.0714 298.1276 -161208.2941 -108973.8451 299.2384 -112.0716 -87.2822 759860.9349 5.2972 5.3950 PRESSURE: 2396000 21.0813 -12.0933 -79.8284 -12.0933 -394.982 -25.3411 -79.8291 -25.3414 -113.716 GPRESSURE: 2396000 49.597 50.349 -57.114 -65.7565 -465.104 -51.5418 -32.4966 -103.738 11.0113 PRESSAVG: 2396000 79.7767 -30.6082 8.21475 -30.6082 -45.3551 18.6134 8.21479 18.6134 30.931 GPRESSAVG: 2396000 78.2925 -29.4939 8.5653 -32.5711 -43.7277 19.955 9.80121 17.6602 30.4589 TIMING: 2396000 CPU: 7571.92, 0.00316581/step Wall: 7571.92, 0.00316581/step, 2.28994 hours remaining, 238.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2396000 4096.4911 20516.4813 14408.9460 247.8887 -203039.1002 2232.2576 0.0000 0.0000 52009.7257 -109527.3099 298.9006 -161537.0356 -109164.8929 299.2564 -162.5389 -134.8319 760432.6484 21.7842 21.6746 PRESSURE: 2396200 -118.922 26.2236 231.713 26.2236 59.414 94.5856 231.713 94.5859 51.6563 GPRESSURE: 2396200 -12.8046 -8.69255 235.591 67.797 59.1332 37.8198 178.535 197.261 57.8152 PRESSAVG: 2396200 36.9324 4.21396 -31.5356 4.21404 -22.4594 37.531 -31.5355 37.531 15.3973 GPRESSAVG: 2396200 37.3693 6.51726 -29.8892 4.64752 -22.5372 36.6305 -31.5779 38.1734 14.6527 TIMING: 2396200 CPU: 7572.55, 0.00315525/step Wall: 7572.55, 0.00315525/step, 2.28212 hours remaining, 238.269531 MB of memory in use. ENERGY: 2396200 3962.5132 20488.0750 14359.2078 244.8539 -203287.7475 2654.2020 0.0000 0.0000 52005.1883 -109573.7072 298.8745 -161578.8955 -109208.2217 299.6895 -2.6173 34.7146 760132.4994 9.9568 9.8282 LDB: ============= START OF LOAD BALANCING ============== 7584.95 LDB: ============== END OF LOAD BALANCING =============== 7584.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7584.95 LDB: ============= START OF LOAD BALANCING ============== 7585.26 LDB: Largest compute 7045 load 0.032251 is 16.5% of average load 0.195893 LDB: Average compute 0.004363 is 2.2% of average load 0.195893 LDB: TIME 7585.27 LOAD: AVG 0.195893 MAX 0.219191 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 241.043 MB LDB: TIME 7585.27 LOAD: AVG 0.195893 MAX 0.219191 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.246 MB LDB: TIME 7585.27 LOAD: AVG 0.195893 MAX 0.217298 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.246 MB LDB: ============== END OF LOAD BALANCING =============== 7585.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7585.27 PRESSURE: 2396400 249.813 48.5266 93.648 48.527 -33.1912 -161.05 93.6485 -161.05 -107.872 GPRESSURE: 2396400 248.281 91.7094 41.8831 53.9604 -39.1514 -210.279 82.5396 -56.4215 -19.7739 PRESSAVG: 2396400 -12.1047 35.2114 -26.1209 35.2114 4.33035 -34.7326 -26.1209 -34.7326 -11.7727 GPRESSAVG: 2396400 -13.5893 34.0314 -28.0875 35.2666 3.98522 -33.9166 -26.1877 -35.4346 -9.40095 TIMING: 2396400 CPU: 7573.19, 0.00320944/step Wall: 7573.19, 0.00320944/step, 2.32114 hours remaining, 238.550781 MB of memory in use. ENERGY: 2396400 3971.7186 20657.6207 14413.3137 240.7653 -203117.8745 2423.6832 0.0000 0.0000 52073.1212 -109337.6517 299.2649 -161410.7729 -108979.7370 299.5962 36.2501 63.1185 761830.8489 -6.5157 -6.3350 PRESSURE: 2396600 -278.097 -179.085 -62.988 -179.085 209.59 118.858 -62.9879 118.858 -227.794 GPRESSURE: 2396600 -176.192 -106.803 -106.091 -182.981 284.006 161.714 -34.5699 266.742 -314.995 PRESSAVG: 2396600 -8.07634 -16.7004 16.5119 -16.7004 32.7325 -47.2708 16.5118 -47.2709 27.5473 GPRESSAVG: 2396600 -7.7045 -15.6984 16.6757 -18.9662 32.6289 -47.5143 16.7604 -45.3422 27.0037 TIMING: 2396600 CPU: 7573.82, 0.0031457/step Wall: 7573.82, 0.0031457/step, 2.27486 hours remaining, 238.550781 MB of memory in use. ENERGY: 2396600 4064.6318 20402.4739 14462.3097 269.5564 -202874.4413 2303.2072 0.0000 0.0000 52039.9196 -109332.3427 299.0741 -161372.2623 -108962.8971 299.6880 -98.7672 -69.0603 760525.7505 17.4011 17.3094 PRESSURE: 2396800 -353.607 47.9236 -97.8736 47.9238 -556.597 186.845 -97.8742 186.845 74.424 GPRESSURE: 2396800 -298.379 -47.2762 -51.031 57.7736 -482.392 157.087 -89.2976 102.365 51.6025 PRESSAVG: 2396800 20.6663 12.626 -8.45081 12.6259 -7.74086 -4.92434 -8.45076 -4.92431 -36.3389 GPRESSAVG: 2396800 21.8821 11.5185 -7.25973 15.0968 -7.49114 -5.51274 -6.78998 -5.88736 -37.4519 TIMING: 2396800 CPU: 7574.45, 0.0031455/step Wall: 7574.45, 0.0031455/step, 2.27454 hours remaining, 238.550781 MB of memory in use. ENERGY: 2396800 4022.1717 20484.0590 14400.1127 252.5710 -202848.1923 2249.6698 0.0000 0.0000 52198.3741 -109241.2340 299.9848 -161439.6082 -108870.8149 300.0207 -278.5932 -243.0563 759518.9192 -7.8045 -7.6870 PRESSURE: 2397000 -253.909 -213.701 312.767 -213.701 -73.1081 -33.3207 312.767 -33.3202 -3.87606 GPRESSURE: 2397000 -144.218 -237.25 319.18 -150.275 -66.0618 -88.1545 417.535 -92.5272 -60.3276 PRESSAVG: 2397000 16.3634 -46.7575 17.6553 -46.7575 -62.52 -29.9286 17.6553 -29.9286 6.74523 GPRESSAVG: 2397000 15.8908 -47.4065 16.7451 -47.4655 -61.6957 -29.3556 15.6638 -29.0516 6.60064 TIMING: 2397000 CPU: 7575.08, 0.00314564/step Wall: 7575.08, 0.00314564/step, 2.27447 hours remaining, 238.550781 MB of memory in use. ENERGY: 2397000 4037.1428 20526.4915 14360.5509 254.1344 -202644.6097 2366.5845 0.0000 0.0000 51786.1446 -109313.5608 297.6157 -161099.7054 -108960.7664 299.3246 -110.2978 -90.2023 762192.9462 -13.1371 -13.0681 PRESSURE: 2397200 -129.002 -8.90891 246.703 -8.90943 -143.778 21.3691 246.703 21.3699 -311.046 GPRESSURE: 2397200 -109.643 173.333 183.748 22.3639 -141.115 -39.3858 192.293 100.643 -257.393 PRESSAVG: 2397200 -49.9277 -64.3062 128.95 -64.3062 0.438105 -71.7923 128.95 -71.7922 -14.6267 GPRESSAVG: 2397200 -48.9303 -63.2917 129.332 -62.9765 -0.0732507 -70.8574 129.052 -73.6118 -14.9128 TIMING: 2397200 CPU: 7575.71, 0.00316307/step Wall: 7575.71, 0.00316307/step, 2.2869 hours remaining, 238.550781 MB of memory in use. ENERGY: 2397200 3996.2023 20633.3556 14359.6664 266.6809 -203141.6270 2514.1249 0.0000 0.0000 52017.4753 -109354.1215 298.9451 -161371.5969 -109002.4023 299.6221 -194.6085 -169.3835 763298.4574 -21.3721 -21.3054 PRESSURE: 2397400 -391.796 -155.463 -241.986 -155.462 -2.27784 -87.3618 -241.986 -87.3607 -306.711 GPRESSURE: 2397400 -330.082 -161.116 -244.388 74.5507 -0.619252 -150.833 -282.58 -142.637 -291.617 PRESSAVG: 2397400 -34.9773 -21.9324 -12.5859 -21.9324 22.367 -57.558 -12.5859 -57.558 -3.96954 GPRESSAVG: 2397400 -35.9437 -23.9793 -13.6503 -20.9409 22.3733 -58.5472 -12.0249 -56.4575 -2.60669 TIMING: 2397400 CPU: 7576.35, 0.0031906/step Wall: 7576.35, 0.0031906/step, 2.30663 hours remaining, 238.550781 MB of memory in use. ENERGY: 2397400 3922.8069 20555.9322 14440.5895 228.4320 -202766.0537 2237.6819 0.0000 0.0000 52049.9479 -109330.6634 299.1318 -161380.6113 -108975.8636 299.6942 -233.5951 -207.4396 762244.1624 -5.5266 -5.3924 PRESSURE: 2397600 -131.655 -33.3013 -211.102 -33.3022 83.6724 149.139 -211.101 149.139 235.359 GPRESSURE: 2397600 -78.7684 11.731 -136.815 36.5727 142.836 162.639 -174.043 126.201 225.339 PRESSAVG: 2397600 -18.7498 -16.9747 -14.1964 -16.9748 19.8809 13.2864 -14.1964 13.2864 16.5786 GPRESSAVG: 2397600 -18.195 -16.238 -13.205 -18.3548 19.3853 12.0587 -12.7295 13.0354 16.7481 TIMING: 2397600 CPU: 7576.99, 0.00318601/step Wall: 7576.99, 0.00318601/step, 2.30313 hours remaining, 238.550781 MB of memory in use. ENERGY: 2397600 3942.5041 20627.2286 14356.1804 250.1370 -202837.0396 2286.4738 0.0000 0.0000 52071.2421 -109303.2737 299.2541 -161374.5157 -108935.8215 299.2090 62.4588 96.4689 761722.6958 5.9032 5.9794 PRESSURE: 2397800 -114.454 -229.895 319.22 -229.895 -188.7 -52.4128 319.221 -52.412 474.21 GPRESSURE: 2397800 -48.7087 -262.679 291.732 -256.823 -147.509 -99.1908 276.229 7.14091 435.348 PRESSAVG: 2397800 -3.88272 -34.9166 -21.998 -34.9166 17.2177 43.4091 -21.998 43.4091 32.0586 GPRESSAVG: 2397800 -3.68714 -36.1675 -20.2434 -33.528 18.637 45.8322 -24.6611 44.096 30.7692 TIMING: 2397800 CPU: 7577.62, 0.00319032/step Wall: 7577.62, 0.00319032/step, 2.30607 hours remaining, 238.550781 MB of memory in use. ENERGY: 2397800 3974.1245 20484.2797 14434.8599 250.7546 -203704.3258 2890.8876 0.0000 0.0000 52358.3994 -109311.0203 300.9044 -161669.4197 -108955.1376 299.5717 57.0185 79.7098 760428.2503 15.1312 15.2397 PRESSURE: 2398000 -320.782 -14.8934 -158.206 -14.8935 40.6582 61.1803 -158.207 61.181 25.0217 GPRESSURE: 2398000 -192.298 -20.719 -75.9946 -26.3281 10.3378 11.0286 -136.659 111.377 10.7386 PRESSAVG: 2398000 -35.1457 -78.0559 32.2298 -78.0558 -3.9472 5.95931 32.2299 5.95924 -5.94082 GPRESSAVG: 2398000 -35.1323 -74.3176 30.663 -78.5785 -3.70175 4.53803 31.6892 5.24617 -6.37064 TIMING: 2398000 CPU: 7578.26, 0.00319042/step Wall: 7578.26, 0.00319042/step, 2.30596 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2398000 4002.0031 20589.7625 14413.3777 231.7492 -202921.4226 2336.9272 0.0000 0.0000 52125.8069 -109221.7960 299.5677 -161347.6029 -108854.5337 299.6597 -85.0340 -57.0740 762374.0550 -15.0113 -15.0682 PRESSURE: 2398200 -111.655 -85.6199 -36.6936 -85.6205 92.1959 -17.0789 -36.6941 -17.0785 125.508 GPRESSURE: 2398200 -64.0663 -94.9945 -33.7851 -241.617 110.287 -53.6013 -35.0162 -77.0133 157.733 PRESSAVG: 2398200 32.3471 -99.6169 -19.7223 -99.6169 5.77172 -11.3964 -19.7222 -11.3963 -14.2239 GPRESSAVG: 2398200 31.4143 -102.271 -18.7134 -98.9304 4.55051 -11.9051 -18.5122 -10.4598 -12.4094 TIMING: 2398200 CPU: 7578.9, 0.00317644/step Wall: 7578.9, 0.00317644/step, 2.29569 hours remaining, 238.550781 MB of memory in use. ENERGY: 2398200 3941.6923 20664.2109 14388.3356 254.9666 -203146.3194 2511.3723 0.0000 0.0000 52286.3339 -109099.4078 300.4903 -161385.7417 -108747.2976 299.8370 35.3495 67.9847 760499.5721 7.9650 7.8518 PRESSURE: 2398400 -412.868 -219.241 -60.0422 -219.242 -253.375 -133.896 -60.0416 -133.895 -457.604 GPRESSURE: 2398400 -345.309 -241.132 -118.944 -246.858 -293.409 -152.088 -159.174 67.6891 -394.441 PRESSAVG: 2398400 17.0085 -71.9442 -17.5214 -71.9442 10.6091 -3.55477 -17.5214 -3.55485 8.31251 GPRESSAVG: 2398400 17.3847 -69.4948 -18.6947 -73.8183 11.2955 -2.62152 -15.9373 -3.25468 7.33384 TIMING: 2398400 CPU: 7579.53, 0.00318238/step Wall: 7579.53, 0.00318238/step, 2.2998 hours remaining, 238.550781 MB of memory in use. ENERGY: 2398400 4056.8038 20573.9229 14467.1715 247.1367 -202778.8666 2248.1944 0.0000 0.0000 52126.0433 -109059.5940 299.5691 -161185.6373 -108704.8020 300.2220 -374.6157 -344.3862 761156.6255 11.9767 12.0047 PRESSURE: 2398600 -188.639 -25.7999 61.5367 -25.8 259.689 76.7921 61.5362 76.7909 233.76 GPRESSURE: 2398600 -80.4885 20.6483 80.9802 133.73 220.293 106.307 31.889 99.4582 237.978 PRESSAVG: 2398600 -59.3699 -4.55991 27.7807 -4.55991 23.1761 -28.6743 27.7807 -28.6742 -38.9265 GPRESSAVG: 2398600 -58.4164 -6.87142 29.0576 -2.12834 22.8143 -27.5447 24.7153 -30.3324 -39.0658 TIMING: 2398600 CPU: 7580.17, 0.00316118/step Wall: 7580.17, 0.00316118/step, 2.28431 hours remaining, 238.550781 MB of memory in use. ENERGY: 2398600 3918.5599 20518.1100 14421.6139 244.5600 -202875.6056 2291.9826 0.0000 0.0000 52384.5673 -109096.2121 301.0548 -161480.7793 -108727.5520 300.4334 101.6032 125.9272 760479.8985 -25.0401 -24.8893 PRESSURE: 2398800 81.1122 -34.1518 11.5273 -34.1513 359.19 -210.372 11.5264 -210.373 403.02 GPRESSURE: 2398800 99.0591 -78.429 -8.33862 -93.1123 470.992 -253.94 67.6421 -126.552 356.365 PRESSAVG: 2398800 -5.54821 10.5775 31.5442 10.5775 43.0121 23.566 31.5442 23.566 4.93563 GPRESSAVG: 2398800 -7.58607 10.9758 30.8803 10.1108 45.2006 22.6539 33.3893 24.4782 4.62485 TIMING: 2398800 CPU: 7580.8, 0.00317548/step Wall: 7580.8, 0.00317548/step, 2.29446 hours remaining, 238.550781 MB of memory in use. ENERGY: 2398800 4039.2220 20415.0194 14419.9765 226.7680 -203056.7141 2655.9364 0.0000 0.0000 52151.0950 -109148.6968 299.7131 -161299.7918 -108787.1555 300.2393 281.1073 308.8052 760542.1273 14.1332 14.0798 PRESSURE: 2399000 116.149 -34.2678 -19.9773 -34.2684 -42.5785 -1.9054 -19.9768 -1.90479 -38.6797 GPRESSURE: 2399000 185.173 -102.18 -71.8576 21.0515 -82.04 -36.3389 -80.6582 0.00301662 14.3521 PRESSAVG: 2399000 -9.13384 -47.452 18.9405 -47.452 -19.4608 -5.2521 18.9405 -5.25207 29.7469 GPRESSAVG: 2399000 -8.76489 -47.293 19.2585 -50.2858 -19.6782 -5.71315 18.3054 -3.90022 29.7474 TIMING: 2399000 CPU: 7581.43, 0.00316408/step Wall: 7581.43, 0.00316408/step, 2.28605 hours remaining, 238.550781 MB of memory in use. ENERGY: 2399000 3980.4827 20402.9367 14427.0410 242.1547 -203134.8810 2646.2999 0.0000 0.0000 52175.0035 -109260.9625 299.8505 -161435.9660 -108889.3528 299.9013 11.6302 39.1617 761419.8364 0.3841 0.4348 PRESSURE: 2399200 -104.061 88.4639 -51.6492 88.4638 -90.8668 -115.078 -51.6491 -115.077 -339.118 GPRESSURE: 2399200 -48.6411 114.064 15.2358 43.8661 -135.108 -131.591 -67.0434 -115.541 -266.634 PRESSAVG: 2399200 -35.7461 -28.7406 10.1117 -28.7407 -34.5536 -33.5833 10.1117 -33.5832 7.37466 GPRESSAVG: 2399200 -34.2778 -26.0221 9.11075 -28.4277 -35.7506 -33.4063 10.6042 -35.4116 7.55048 TIMING: 2399200 CPU: 7582.06, 0.00315588/step Wall: 7582.06, 0.00315588/step, 2.27995 hours remaining, 238.550781 MB of memory in use. ENERGY: 2399200 3987.0805 20671.1745 14386.4191 234.8302 -203192.2091 2568.2036 0.0000 0.0000 52083.4019 -109261.0993 299.3240 -161344.5012 -108892.0391 299.7137 -178.0152 -150.1276 760513.6830 -20.9750 -20.8260 PRESSURE: 2399400 308.495 223.401 -100.482 223.401 -76.5418 -248.077 -100.482 -248.078 -126.187 GPRESSURE: 2399400 281.157 222.883 -36.9461 153.49 -16.8585 -227.355 -57.9095 -110.696 -79.4919 PRESSAVG: 2399400 18.1996 12.6095 10.7376 12.6096 -26.0806 36.6583 10.7376 36.6584 -1.88929 GPRESSAVG: 2399400 18.109 8.96721 13.236 13.13 -25.7024 36.6573 10.5531 38.5008 -2.58661 TIMING: 2399400 CPU: 7582.7, 0.00316325/step Wall: 7582.7, 0.00316325/step, 2.2851 hours remaining, 238.550781 MB of memory in use. ENERGY: 2399400 3996.0271 20659.1565 14406.8257 245.3247 -203339.4391 2525.3715 0.0000 0.0000 52259.2122 -109247.5215 300.3344 -161506.7337 -108892.4362 299.8776 35.2553 61.6024 758772.8605 -3.2567 -3.3933 PRESSURE: 2399600 110.098 122.955 -162.748 122.955 -78.2085 25.8581 -162.748 25.8586 44.2342 GPRESSURE: 2399600 139.805 175.949 -205.462 117.245 92.8684 -5.60439 -148.45 111.547 -67.738 PRESSAVG: 2399600 -23.2835 3.22847 -42.4697 3.22849 64.0306 17.8262 -42.4698 17.8262 16.0128 GPRESSAVG: 2399600 -23.7578 4.03634 -43.6682 4.40912 64.4476 18.0651 -42.5036 17.4304 16.2239 TIMING: 2399600 CPU: 7583.33, 0.0031728/step Wall: 7583.33, 0.0031728/step, 2.29182 hours remaining, 238.550781 MB of memory in use. ENERGY: 2399600 3996.3720 20546.6752 14357.2456 238.0860 -203405.7120 2747.3862 0.0000 0.0000 52020.1195 -109499.8275 298.9603 -161519.9470 -109126.7314 299.7686 25.3746 54.9786 760381.4179 18.9200 18.9712 PRESSURE: 2399800 -86.8499 -23.0976 -42.5249 -23.0977 -197.236 124.78 -42.5251 124.78 -78.4922 GPRESSURE: 2399800 -24.9106 -113.987 6.46269 -86.9459 -202.403 146.861 -109.427 -60.307 -62.7945 PRESSAVG: 2399800 17.4508 -41.6418 -44.0962 -41.6418 -25.2452 -18.5528 -44.0963 -18.5527 -3.49342 GPRESSAVG: 2399800 18.432 -39.938 -45.8482 -43.0457 -26.2328 -16.8293 -43.3897 -18.2627 -3.56936 TIMING: 2399800 CPU: 7583.96, 0.00314009/step Wall: 7583.96, 0.00314009/step, 2.26802 hours remaining, 238.550781 MB of memory in use. ENERGY: 2399800 3993.7391 20410.9614 14344.4467 240.8078 -203097.1270 2378.5539 0.0000 0.0000 52390.8757 -109337.7424 301.0911 -161728.6181 -108968.3719 299.4332 -120.8595 -96.7027 760689.9342 -3.7626 -3.7901 PRESSURE: 2400000 194.296 -110.329 -27.0837 -110.33 58.4373 100.015 -27.084 100.016 295.182 GPRESSURE: 2400000 199.272 -75.5308 -1.99226 0.29042 88.455 40.8681 -36.0426 -82.8815 332.056 PRESSAVG: 2400000 -7.8715 8.62786 -4.26411 8.6279 9.08155 -79.5114 -4.26412 -79.5114 11.6221 GPRESSAVG: 2400000 -9.52699 8.88192 -1.78828 8.44777 8.79568 -80.8099 -3.7583 -81.537 13.0911 TIMING: 2400000 CPU: 7584.59, 0.00315509/step Wall: 7584.59, 0.00315508/step, 2.27867 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2400000 3954.3088 20562.3178 14312.8506 261.5778 -203309.6879 2717.1519 0.0000 0.0000 51996.6579 -109504.8232 298.8255 -161501.4810 -109134.5164 299.6389 182.6387 206.5945 761688.6315 4.2774 4.1199 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 -65.6635 262.99 18.1341 262.989 -213.978 -94.0818 18.1341 -94.0823 148.935 GPRESSURE: 2400200 -90.3019 204.776 39.1795 178.593 -120.509 -16.0778 -33.3619 -55.6456 185.587 PRESSAVG: 2400200 9.46243 -16.1481 -31.2596 -16.148 -64.7011 -21.2965 -31.2596 -21.2965 26.8269 GPRESSAVG: 2400200 9.25077 -16.6707 -32.412 -16.0774 -63.9671 -21.7548 -32.5188 -19.3283 25.9399 TIMING: 2400200 CPU: 7585.24, 0.00324318/step Wall: 7585.24, 0.00324318/step, 2.34211 hours remaining, 238.550781 MB of memory in use. ENERGY: 2400200 3899.8818 20387.9950 14390.1429 260.1579 -203396.4020 2645.9736 0.0000 0.0000 52347.0163 -109465.2344 300.8390 -161812.2507 -109094.5220 299.4497 -43.5689 -8.4077 762412.0729 -9.4706 -9.5921 LDB: ============= START OF LOAD BALANCING ============== 7597.64 LDB: ============== END OF LOAD BALANCING =============== 7597.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7597.64 LDB: ============= START OF LOAD BALANCING ============== 7597.96 LDB: Largest compute 7058 load 0.033775 is 17.2% of average load 0.196021 LDB: Average compute 0.004354 is 2.2% of average load 0.196021 LDB: TIME 7597.96 LOAD: AVG 0.196021 MAX 0.220987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 7597.96 LOAD: AVG 0.196021 MAX 0.220987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 7597.96 LOAD: AVG 0.196021 MAX 0.220987 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 7597.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7597.97 PRESSURE: 2400400 -223.944 54.5264 -37.161 54.5262 44.3816 -169.197 -37.1601 -169.197 -296.198 GPRESSURE: 2400400 -15.3477 8.80718 -39.3366 -2.7264 -117.49 -159.447 -83.9759 -60.8979 -251.126 PRESSAVG: 2400400 32.0797 -13.3866 -28.9261 -13.3866 11.1798 -22.7871 -28.9262 -22.7871 7.82917 GPRESSAVG: 2400400 33.1976 -13.5726 -29.1342 -13.0421 11.0516 -21.8752 -28.0621 -23.5272 6.68069 TIMING: 2400400 CPU: 7585.88, 0.00322365/step Wall: 7585.88, 0.00322365/step, 2.32783 hours remaining, 238.613281 MB of memory in use. ENERGY: 2400400 3981.7126 20564.0921 14415.1092 263.7516 -203240.3385 2372.4233 0.0000 0.0000 52073.5697 -109569.6801 299.2675 -161643.2498 -109212.4648 299.4117 -158.5866 -127.9879 760038.2886 17.0296 16.9766 PRESSURE: 2400600 -33.2732 -115.951 -163.05 -115.95 324.065 84.9036 -163.051 84.903 266.38 GPRESSURE: 2400600 7.71272 -118.766 -152.801 -54.41 361.908 129.215 -8.01777 71.3605 264.923 PRESSAVG: 2400600 62.9393 -14.8107 11.611 -14.8106 -26.1338 27.298 11.6109 27.298 -16.033 GPRESSAVG: 2400600 61.4198 -14.6432 12.4502 -13.4691 -25.8946 27.0918 12.2242 26.1107 -14.6149 TIMING: 2400600 CPU: 7586.52, 0.00316244/step Wall: 7586.52, 0.00316244/step, 2.28346 hours remaining, 238.613281 MB of memory in use. ENERGY: 2400600 3927.9980 20449.3947 14436.6394 233.7432 -203432.4374 2565.9746 0.0000 0.0000 52169.5777 -109649.1098 299.8193 -161818.6875 -109283.0594 299.0852 185.7240 211.5145 759650.9643 6.9242 6.9701 PRESSURE: 2400800 47.7186 31.6559 -28.2068 31.6559 -141.731 242.715 -28.2069 242.716 120.928 GPRESSURE: 2400800 48.7882 -8.7672 54.3961 -16.377 -76.4293 226.448 -28.24 165.642 126.621 PRESSAVG: 2400800 -0.781704 20.7606 -24.2874 20.7606 24.4241 3.45908 -24.2874 3.45914 33.303 GPRESSAVG: 2400800 1.27742 18.8737 -24.4088 20.7941 24.5161 3.51414 -23.7765 3.98534 32.3291 TIMING: 2400800 CPU: 7587.15, 0.00314748/step Wall: 7587.15, 0.00314748/step, 2.27248 hours remaining, 238.613281 MB of memory in use. ENERGY: 2400800 3957.9003 20460.0951 14417.6132 238.3289 -203426.5266 2476.9447 0.0000 0.0000 52338.0001 -109537.6444 300.7872 -161875.6445 -109174.3418 299.2019 8.9721 32.9932 760971.5130 18.9818 19.3742 PRESSURE: 2401000 82.3357 -53.5239 -10.9378 -53.5231 -9.58571 7.34559 -10.9375 7.34595 -70.278 GPRESSURE: 2401000 57.7357 -7.65412 24.8068 50.1508 44.1486 7.48296 -3.23857 -50.7701 -6.99478 PRESSAVG: 2401000 -23.5699 0.0263177 -17.867 0.0262744 22.7974 24.2425 -17.867 24.2425 -23.7382 GPRESSAVG: 2401000 -24.1281 1.22393 -17.1857 0.401121 22.4695 24.0645 -20.3261 23.2651 -22.5788 TIMING: 2401000 CPU: 7587.78, 0.00315821/step Wall: 7587.78, 0.00315821/step, 2.28005 hours remaining, 238.613281 MB of memory in use. ENERGY: 2401000 4019.0759 20488.9206 14384.4485 246.7560 -203574.0870 2722.7168 0.0000 0.0000 52092.6070 -109619.5623 299.3769 -161712.1693 -109257.7361 299.1836 0.8240 31.6299 761395.5008 -8.1702 -8.0791 PRESSURE: 2401200 -421.258 15.1809 -72.4518 15.1806 -65.5907 -285.077 -72.4511 -285.075 76.1684 GPRESSURE: 2401200 -327.578 -27.0735 -67.4308 -24.8652 -51.7465 -258.097 -82.4964 -47.0074 59.9863 PRESSAVG: 2401200 24.9829 14.5496 12.9043 14.5495 18.5806 33.5757 12.9042 33.5758 -17.0096 GPRESSAVG: 2401200 26.0757 15.1719 11.4956 12.1682 19.4084 34.4038 14.5963 36.6934 -18.5746 TIMING: 2401200 CPU: 7588.42, 0.00321172/step Wall: 7588.42, 0.00321172/step, 2.3185 hours remaining, 238.613281 MB of memory in use. ENERGY: 2401200 3916.7080 20412.1675 14420.4570 263.9005 -202990.8266 2342.9875 0.0000 0.0000 51962.3799 -109672.2262 298.6285 -161634.6061 -109298.8052 298.8223 -136.8934 -106.4462 761997.0578 8.8513 8.9698 PRESSURE: 2401400 43.564 -22.0346 34.5694 -22.0346 -131.084 -122.608 34.5703 -122.608 80.4501 GPRESSURE: 2401400 88.344 -44.717 39.4958 56.392 -144.211 -139.246 70.7309 -117.353 130.726 PRESSAVG: 2401400 24.7455 36.769 17.2497 36.769 -49.5208 -29.293 17.2497 -29.293 21.7936 GPRESSAVG: 2401400 22.9818 39.2117 17.4779 36.4354 -48.9066 -28.9537 17.9925 -31.7341 23.451 TIMING: 2401400 CPU: 7589.06, 0.00318876/step Wall: 7589.06, 0.00318876/step, 2.30175 hours remaining, 238.613281 MB of memory in use. ENERGY: 2401400 4015.3503 20563.0921 14378.9393 244.3798 -203242.0928 2588.5734 0.0000 0.0000 52129.4414 -109322.3165 299.5886 -161451.7579 -108957.0038 299.1784 -2.3568 24.9530 762282.6903 -0.9939 -0.8246 PRESSURE: 2401600 15.5474 -9.63749 -128.123 -9.63764 187.503 87.3158 -128.124 87.3152 -320.449 GPRESSURE: 2401600 -7.36129 88.3648 -138.828 -22.3033 211.597 11.405 -146.726 34.2018 -225.476 PRESSAVG: 2401600 -52.0629 26.2593 -0.485173 26.2594 55.8827 -9.58572 -0.485212 -9.58571 -8.61328 GPRESSAVG: 2401600 -51.5201 23.1629 -0.625847 28.1233 56.0005 -10.6388 -1.90036 -9.96271 -9.0468 TIMING: 2401600 CPU: 7589.69, 0.003162/step Wall: 7589.69, 0.003162/step, 2.28226 hours remaining, 238.613281 MB of memory in use. ENERGY: 2401600 4004.2350 20570.6197 14347.7453 272.9273 -203057.3702 2408.9108 0.0000 0.0000 52145.1292 -109307.8029 299.6788 -161452.9322 -108947.5592 299.8308 -39.1331 -7.0799 760634.1113 -1.5978 -1.5221 PRESSURE: 2401800 25.0425 191.454 -130.871 191.454 -26.86 72.5296 -130.871 72.5293 -309.37 GPRESSURE: 2401800 35.911 102.78 -30.1273 83.038 59.4013 14.4652 -157.057 179.592 -310.807 PRESSAVG: 2401800 -3.99699 43.652 -31.59 43.6519 53.6996 55.4598 -31.5899 55.4598 -8.47511 GPRESSAVG: 2401800 -3.03073 42.7457 -31.7792 45.0091 53.3812 54.7701 -30.6763 56.4042 -9.41913 TIMING: 2401800 CPU: 7590.33, 0.00319477/step Wall: 7590.33, 0.00319477/step, 2.30574 hours remaining, 238.613281 MB of memory in use. ENERGY: 2401800 4053.5139 20393.1908 14465.0646 242.8895 -203202.2298 2527.8761 0.0000 0.0000 52473.4727 -109046.2224 301.5658 -161519.6951 -108668.1057 299.9907 -103.7293 -71.8314 760698.7846 13.7425 13.6438 PRESSURE: 2402000 -231.949 -186.933 19.9142 -186.933 151.827 76.7299 19.9146 76.7301 -191.573 GPRESSURE: 2402000 -214.394 -85.1531 26.9601 -258.291 127.005 13.0323 74.9759 0.472954 -72.7392 PRESSAVG: 2402000 9.13481 -23.1881 -16.9808 -23.1882 1.65384 31.5713 -16.9808 31.5713 0.245466 GPRESSAVG: 2402000 6.91743 -23.6856 -16.7302 -24.4297 1.81038 32.0285 -17.3758 30.9785 1.79579 TIMING: 2402000 CPU: 7590.96, 0.00317441/step Wall: 7590.96, 0.00317441/step, 2.29087 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2402000 4065.4701 20566.4826 14416.4122 254.4978 -203073.0481 2444.0171 0.0000 0.0000 52142.6498 -109183.5186 299.6645 -161326.1684 -108819.4812 300.2041 -90.5650 -53.3759 762179.9613 3.6780 3.5079 PRESSURE: 2402200 247.413 -63.6556 -57.9685 -63.6559 224.894 165.724 -57.9679 165.724 420.572 GPRESSURE: 2402200 236.393 -17.5889 -147.058 -35.2978 246.04 215.561 -39.2325 141.023 503.154 PRESSAVG: 2402200 -37.9891 -32.2997 -16.4562 -32.2996 35.7733 -38.809 -16.4562 -38.809 -17.5281 GPRESSAVG: 2402200 -37.2391 -31.1745 -17.0199 -32.4428 35.6825 -37.6273 -14.0527 -37.2495 -18.3159 TIMING: 2402200 CPU: 7591.6, 0.00317111/step Wall: 7591.6, 0.00317111/step, 2.28831 hours remaining, 238.613281 MB of memory in use. ENERGY: 2402200 3931.1986 20477.0884 14386.3497 232.5466 -203262.4921 2535.4883 0.0000 0.0000 52459.6060 -109240.2145 301.4861 -161699.8205 -108883.4819 299.4352 297.6261 328.5290 760114.5565 -6.5813 -6.6242 PRESSURE: 2402400 -77.3352 141.316 250.919 141.318 97.2213 131.358 250.919 131.358 -274.8 GPRESSURE: 2402400 24.8997 259.991 284.994 18.4399 125.632 158.615 152.064 252.045 -335.888 PRESSAVG: 2402400 45.4627 19.1059 -42.9953 19.1058 -40.4217 29.8725 -42.9952 29.8725 37.304 GPRESSAVG: 2402400 44.153 17.1784 -44.876 20.013 -40.0355 29.2428 -44.4634 30.1575 37.7753 TIMING: 2402400 CPU: 7592.23, 0.00317012/step Wall: 7592.23, 0.00317012/step, 2.28742 hours remaining, 238.613281 MB of memory in use. ENERGY: 2402400 3928.1245 20556.4090 14325.1333 285.5404 -202701.9716 2133.2109 0.0000 0.0000 52199.2476 -109274.3059 299.9898 -161473.5535 -108906.6917 300.0414 -84.9712 -61.7852 760312.8318 14.1150 13.9643 PRESSURE: 2402600 -125.012 104.087 -172.656 104.087 -268.63 39.5241 -172.656 39.524 -356.761 GPRESSURE: 2402600 -69.4842 85.2841 -192.467 -88.9367 -313.493 -16.7441 -76.9803 -47.2382 -287.678 PRESSAVG: 2402600 27.4228 3.25073 84.287 3.25071 -54.0117 56.7755 84.287 56.7755 32.2995 GPRESSAVG: 2402600 27.9058 6.26351 87.0261 2.34746 -54.0254 57.7568 80.0487 56.3441 31.6109 TIMING: 2402600 CPU: 7592.87, 0.00316628/step Wall: 7592.87, 0.00316628/step, 2.28447 hours remaining, 238.613281 MB of memory in use. ENERGY: 2402600 3947.5454 20423.8965 14360.6050 257.7559 -202826.4506 2224.8169 0.0000 0.0000 52085.5776 -109526.2534 299.3365 -161611.8309 -109158.6355 299.3185 -250.1342 -223.5516 761581.6105 1.9035 1.8304 PRESSURE: 2402800 -190.94 -166.859 -165.104 -166.859 -65.6792 -162.618 -165.104 -162.617 -7.64381 GPRESSURE: 2402800 -112.09 -204.754 -116.992 -252.445 -102.657 -163.368 -189.128 -117.943 31.4699 PRESSAVG: 2402800 15.0612 0.208847 34.5644 0.208868 -4.78478 -20.9254 34.5644 -20.9253 -20.8134 GPRESSAVG: 2402800 17.3244 -4.51001 33.001 0.0717207 -6.67071 -22.6159 38.3048 -22.487 -21.0968 TIMING: 2402800 CPU: 7593.5, 0.00316372/step Wall: 7593.5, 0.00316372/step, 2.28245 hours remaining, 238.613281 MB of memory in use. ENERGY: 2402800 3931.8277 20556.4678 14384.5983 254.3839 -202932.2270 2389.7010 0.0000 0.0000 51869.5087 -109545.7395 298.0948 -161415.2483 -109190.3769 298.7158 -88.0877 -61.0924 760711.4308 -3.5123 -3.4811 PRESSURE: 2403000 -12.1495 -4.37903 268.076 -4.37861 127.913 27.9332 268.077 27.9337 -162.917 GPRESSURE: 2403000 50.0763 17.4432 274.201 18.3834 118.818 163.444 235.267 192.061 -132.239 PRESSAVG: 2403000 36.3546 -12.218 24.8714 -12.2179 -36.5263 -1.70156 24.8713 -1.7015 -0.525383 GPRESSAVG: 2403000 35.6429 -10.2981 26.9512 -11.27 -35.7655 -2.14185 23.149 0.432701 -0.211963 TIMING: 2403000 CPU: 7594.13, 0.00317864/step Wall: 7594.13, 0.00317864/step, 2.29304 hours remaining, 238.613281 MB of memory in use. ENERGY: 2403000 3959.0364 20353.4416 14353.1709 235.0034 -203274.9440 2443.0913 0.0000 0.0000 52029.9779 -109901.2226 299.0170 -161931.2005 -109541.5907 298.5631 -15.7179 12.2185 760213.4424 -0.2324 -0.1115 PRESSURE: 2403200 282.401 74.3966 281.206 74.3974 -103.811 -132.054 281.206 -132.055 438.977 GPRESSURE: 2403200 252.525 175.954 325.444 -9.81076 26.4472 -13.0377 246.945 -125.082 431.734 PRESSAVG: 2403200 36.1605 -51.5624 29.6377 -51.5624 -53.0489 -45.8112 29.6377 -45.8112 -8.75794 GPRESSAVG: 2403200 35.6255 -50.7443 30.2911 -51.5948 -51.8116 -43.5564 29.7083 -47.8704 -9.28706 TIMING: 2403200 CPU: 7594.77, 0.00315368/step Wall: 7594.77, 0.00315368/step, 2.27486 hours remaining, 238.613281 MB of memory in use. ENERGY: 2403200 3942.4360 20413.2007 14278.2509 231.5418 -203641.0299 2944.6644 0.0000 0.0000 51594.8784 -110236.0576 296.5165 -161830.9361 -109885.2813 297.5496 205.8555 236.9020 759969.5928 -8.5488 -8.4911 PRESSURE: 2403400 321.573 34.4589 116.115 34.4585 -66.6609 116.13 116.115 116.131 523.822 GPRESSURE: 2403400 324.412 17.851 135.852 4.62634 32.3469 68.8628 -67.2033 46.1428 492.399 PRESSAVG: 2403400 12.5081 -10.8266 38.7455 -10.8267 4.12762 6.48219 38.7455 6.48223 14.7918 GPRESSAVG: 2403400 10.3919 -9.81998 38.3955 -13.7458 5.39335 5.51231 36.6031 6.54287 15.9014 TIMING: 2403400 CPU: 7595.4, 0.00318363/step Wall: 7595.4, 0.00318363/step, 2.29628 hours remaining, 238.613281 MB of memory in use. ENERGY: 2403400 3955.8535 20316.8993 14297.9564 254.7947 -204028.5299 2882.7808 0.0000 0.0000 51964.0341 -110356.2111 298.6380 -162320.2452 -109999.5854 297.3682 259.5779 283.0525 759767.5888 10.4759 10.5622 PRESSURE: 2403600 290.847 -121.756 -188.893 -121.757 8.23546 75.4265 -188.892 75.4262 -202.954 GPRESSURE: 2403600 270.482 -98.0576 -218.805 -133.247 47.341 63.4597 25.2703 -31.1165 -121.809 PRESSAVG: 2403600 -15.6039 -58.8975 -4.22688 -58.8975 24.429 -19.8123 -4.22689 -19.8123 -1.10675 GPRESSAVG: 2403600 -14.5775 -60.4536 -4.62208 -56.9608 23.6461 -19.8634 -3.50356 -19.5975 -1.60736 TIMING: 2403600 CPU: 7596.04, 0.00318108/step Wall: 7596.04, 0.00318108/step, 2.29426 hours remaining, 238.613281 MB of memory in use. ENERGY: 2403600 3935.8565 20305.2346 14320.2467 243.6325 -203480.3887 2448.9175 0.0000 0.0000 51800.2496 -110426.2513 297.6967 -162226.5009 -110058.7540 297.6759 32.0429 65.3383 757350.6947 2.5728 2.4871 PRESSURE: 2403800 -288.533 -177.802 118.032 -177.802 -400.749 -134.241 118.032 -134.241 -383.118 GPRESSURE: 2403800 -379.486 -144.197 82.1199 -76.0108 -332.191 -194.661 263.761 -108.526 -299.35 PRESSAVG: 2403800 30.793 -30.8033 -54.4419 -30.8033 9.2513 -40.0891 -54.4419 -40.0891 -6.44109 GPRESSAVG: 2403800 31.2911 -30.9716 -55.8015 -29.4354 7.86247 -40.3735 -51.3663 -39.3507 -5.31965 TIMING: 2403800 CPU: 7596.68, 0.00319287/step Wall: 7596.68, 0.00319287/step, 2.30259 hours remaining, 238.613281 MB of memory in use. ENERGY: 2403800 3975.1386 20426.6726 14361.3186 243.4137 -203477.9506 2304.6733 0.0000 0.0000 51848.3046 -110318.4292 297.9729 -162166.7338 -109943.1736 297.2931 -357.4665 -337.0092 761280.2409 11.2011 11.2780 PRESSURE: 2404000 237.438 -116.254 82.0051 -116.255 182.426 114.7 82.0058 114.701 -125.09 GPRESSURE: 2404000 228.102 -6.08532 64.0947 -25.3239 268.8 28.3723 155.852 95.0429 -111.017 PRESSAVG: 2404000 38.8434 26.8921 15.8264 26.8921 -45.3282 -33.6105 15.8264 -33.6104 18.8811 GPRESSAVG: 2404000 39.0765 30.331 17.1683 25.8035 -44.4631 -34.7463 13.4459 -34.7666 18.4482 TIMING: 2404000 CPU: 7597.31, 0.00316085/step Wall: 7597.31, 0.00316085/step, 2.27933 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2404000 3902.7861 20596.3905 14371.6879 248.0738 -203981.6307 2608.0066 0.0000 0.0000 51864.0628 -110390.6229 298.0635 -162254.6858 -110030.9481 297.5165 98.2583 128.6285 759060.0158 4.1321 4.3539 PRESSURE: 2404200 46.5218 163.656 -152.408 163.656 -112.204 -2.73433 -152.407 -2.73513 -62.2545 GPRESSURE: 2404200 9.61895 145.442 -154.157 62.6503 -35.5089 39.2601 -138.566 -88.0419 -1.32976 PRESSAVG: 2404200 15.0669 -11.9897 15.1465 -11.9897 -27.7409 -66.4086 15.1465 -66.4087 20.0803 GPRESSAVG: 2404200 15.2933 -14.3329 15.0823 -12.9035 -27.9837 -64.6214 14.7792 -66.5888 20.3893 TIMING: 2404200 CPU: 7597.94, 0.0031622/step Wall: 7597.94, 0.0031622/step, 2.28012 hours remaining, 238.613281 MB of memory in use. ENERGY: 2404200 3916.0186 20428.3867 14393.9022 240.1188 -203400.2288 2645.8196 0.0000 0.0000 51511.6372 -110264.3457 296.0381 -161775.9829 -109906.1969 297.6639 -42.6455 -9.0732 759973.9591 2.4687 2.5663 LDB: ============= START OF LOAD BALANCING ============== 7610.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7610.34 LDB: =============== DONE WITH MIGRATION ================ 7610.34 LDB: ============= START OF LOAD BALANCING ============== 7610.66 LDB: Largest compute 7058 load 0.033058 is 16.9% of average load 0.196059 LDB: Average compute 0.004384 is 2.2% of average load 0.196059 LDB: TIME 7610.66 LOAD: AVG 0.196059 MAX 0.219388 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 7610.66 LOAD: AVG 0.196059 MAX 0.219388 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: TIME 7610.66 LOAD: AVG 0.196059 MAX 0.218701 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: ============== END OF LOAD BALANCING =============== 7610.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7610.67 PRESSURE: 2404400 42.3257 -18.5041 57.1249 -18.5047 58.8349 -50.8243 57.1246 -50.8254 743.407 GPRESSURE: 2404400 92.5303 0.196276 -10.7847 -106.749 101.574 -61.5152 92.6015 -50.158 724.979 PRESSAVG: 2404400 36.6425 5.12233 -13.1641 5.12235 -38.6488 -47.0012 -13.1641 -47.0013 -10.7372 GPRESSAVG: 2404400 37.8679 6.36168 -14.5661 3.1825 -39.5553 -46.9373 -11.8063 -48.0799 -11.3018 TIMING: 2404400 CPU: 7598.59, 0.00322411/step Wall: 7598.59, 0.00322411/step, 2.32458 hours remaining, 238.207031 MB of memory in use. ENERGY: 2404400 3936.2860 20396.4829 14440.2980 242.3095 -204163.1144 3016.1709 0.0000 0.0000 51848.4407 -110283.1264 297.9737 -162131.5671 -109917.4122 297.5583 281.5226 306.3610 760134.2888 -4.2479 -4.3297 PRESSURE: 2404600 329.099 -32.3567 31.5657 -32.3572 -312.032 -230.717 31.5661 -230.717 -143.197 GPRESSURE: 2404600 334.23 -14.6823 1.0789 -95.4693 -270.157 -262.566 40.7972 -238.832 -114.002 PRESSAVG: 2404600 49.8219 32.353 26.4734 32.353 0.685251 -2.15992 26.4734 -2.15985 16.9021 GPRESSAVG: 2404600 49.9168 32.0769 27.0565 34.4329 0.320423 -2.51605 25.1257 -2.57054 16.9095 TIMING: 2404600 CPU: 7599.22, 0.00316998/step Wall: 7599.22, 0.00316998/step, 2.28538 hours remaining, 238.277344 MB of memory in use. ENERGY: 2404600 4058.8679 20561.1514 14359.2861 242.5477 -203537.3997 2638.8889 0.0000 0.0000 51809.0100 -109867.6478 297.7471 -161676.6578 -109510.3672 298.4731 -42.0434 -16.6429 760618.3385 22.4698 22.3823 PRESSURE: 2404800 -447.693 -34.8368 -117.366 -34.8362 285.569 -237.2 -117.365 -237.199 -83.8009 GPRESSURE: 2404800 -370.503 -101.087 -236.971 14.3663 249.044 -248.874 -117.289 -221.769 -37.7895 PRESSAVG: 2404800 -16.3736 -25.1424 -1.00332 -25.1423 -10.8345 -17.6744 -1.0033 -17.6744 5.48638 GPRESSAVG: 2404800 -16.9196 -26.7141 -2.61041 -24.2281 -10.8 -17.4159 0.270913 -16.073 6.40353 TIMING: 2404800 CPU: 7599.85, 0.00315181/step Wall: 7599.85, 0.00315181/step, 2.27211 hours remaining, 238.277344 MB of memory in use. ENERGY: 2404800 3984.2262 20407.1188 14339.5140 246.8076 -203982.1725 2855.4052 0.0000 0.0000 51780.0871 -110369.0137 297.5809 -162149.1007 -110008.1229 297.9974 -81.9749 -53.0827 761095.0462 -7.2406 -7.1054 PRESSURE: 2405000 149.768 150.481 17.7677 150.482 -183.269 75.0586 17.7686 75.0579 35.2606 GPRESSURE: 2405000 152.306 87.8524 -38.8166 -1.55641 -107.907 42.945 -10.5574 120.61 40.9401 PRESSAVG: 2405000 -1.64729 -43.8631 -67.726 -43.8632 13.4417 -6.14936 -67.726 -6.14929 24.5229 GPRESSAVG: 2405000 -1.92553 -45.7197 -66.2202 -44.315 13.7602 -4.64591 -67.7096 -5.00348 24.8825 TIMING: 2405000 CPU: 7600.48, 0.00315546/step Wall: 7600.48, 0.00315546/step, 2.27456 hours remaining, 238.277344 MB of memory in use. ENERGY: 2405000 4037.1160 20458.4980 14362.9090 257.4963 -203739.1351 2723.9645 0.0000 0.0000 51683.1045 -110216.0467 297.0235 -161899.1512 -109855.1854 297.5038 0.5866 28.4462 760995.6956 12.1058 12.2391 PRESSURE: 2405200 -180.747 139.638 -86.9825 139.637 -51.7345 154.46 -86.9825 154.46 350.973 GPRESSURE: 2405200 -89.6625 73.5833 -35.579 70.0196 -79.9236 225.359 -256.349 -47.6725 365.844 PRESSAVG: 2405200 -0.29623 12.9084 -50.9376 12.9084 -34.81 -45.0613 -50.9376 -45.0613 -3.64926 GPRESSAVG: 2405200 -0.18059 15.014 -50.8458 11.6917 -34.9266 -47.4557 -51.5519 -45.9599 -3.19849 TIMING: 2405200 CPU: 7601.11, 0.0031397/step Wall: 7601.11, 0.0031397/step, 2.26303 hours remaining, 238.277344 MB of memory in use. ENERGY: 2405200 3953.0239 20517.3544 14292.1081 249.6080 -203343.1825 2399.9383 0.0000 0.0000 51756.3236 -110174.8263 297.4443 -161931.1498 -109813.1603 297.7092 39.4971 65.4193 760767.1855 -12.9185 -12.7686 PRESSURE: 2405400 35.725 45.2859 -184.28 45.2856 54.7892 87.3869 -184.278 87.3869 202.626 GPRESSURE: 2405400 36.1001 -79.8722 -149.44 30.9477 157.589 18.2988 -154.449 6.87978 179.148 PRESSAVG: 2405400 3.28227 28.8916 3.0845 28.8916 21.2336 -29.78 3.08444 -29.7801 -22.3571 GPRESSAVG: 2405400 2.48774 29.8061 4.60205 28.9148 21.638 -29.3564 3.48846 -30.1457 -22.3551 TIMING: 2405400 CPU: 7601.74, 0.00315362/step Wall: 7601.74, 0.00315362/step, 2.27288 hours remaining, 238.277344 MB of memory in use. ENERGY: 2405400 4082.1169 20373.5103 14368.5205 237.7490 -203358.8478 2564.1744 0.0000 0.0000 52022.7741 -109710.0027 298.9756 -161732.7768 -109353.8960 298.2918 97.7133 124.2792 761208.8064 0.7196 0.5902 PRESSURE: 2405600 -341.998 -135.173 200.114 -135.173 -197.908 99.0235 200.114 99.0229 29.8164 GPRESSURE: 2405600 -301.202 -160.193 212.099 -154.349 -125.765 103.98 238.811 64.0754 23.6605 PRESSAVG: 2405600 3.63816 -38.8739 -15.1535 -38.8739 15.8641 37.2875 -15.1535 37.2874 -14.5374 GPRESSAVG: 2405600 2.52429 -42.9725 -15.8333 -36.9226 16.6122 38.0297 -12.0429 38.1594 -14.2879 TIMING: 2405600 CPU: 7602.37, 0.00315145/step Wall: 7602.37, 0.00315145/step, 2.27114 hours remaining, 238.277344 MB of memory in use. ENERGY: 2405600 4011.8682 20542.0381 14345.1127 234.5531 -203125.1099 2330.4310 0.0000 0.0000 51889.4779 -109771.6289 298.2095 -161661.1068 -109410.8985 298.5467 -170.0299 -134.4356 762647.7218 1.6549 1.6162 PRESSURE: 2405800 10.3138 -68.154 -13.2486 -68.1548 128.083 -88.1626 -13.2483 -88.1624 301.94 GPRESSURE: 2405800 -1.12486 -116.357 44.4931 71.5783 163.487 -73.1797 -62.7728 -33.4436 357.43 PRESSAVG: 2405800 -6.41118 -66.9014 19.1406 -66.9013 -40.4189 47.749 19.1406 47.749 9.00174 GPRESSAVG: 2405800 -5.47251 -60.8721 18.3689 -68.6077 -39.9926 47.9755 15.4062 47.6173 7.32251 TIMING: 2405800 CPU: 7603, 0.00313286/step Wall: 7603, 0.00313286/step, 2.25757 hours remaining, 238.277344 MB of memory in use. ENERGY: 2405800 3935.6116 20512.5208 14380.2072 223.6031 -203519.8964 2743.8920 0.0000 0.0000 52111.7978 -109612.2639 299.4872 -161724.0617 -109244.3026 298.7825 146.7788 173.2641 760142.8899 -12.6094 -12.7142 PRESSURE: 2406000 4.99012 -165.218 -22.3191 -165.217 586.517 95.4826 -22.3192 95.481 187.382 GPRESSURE: 2406000 141.389 -60.0064 -67.6203 -251.689 596.6 -0.99138 49.423 112.368 130.384 PRESSAVG: 2406000 1.82836 -35.2681 -32.896 -35.2681 -38.9834 -30.132 -32.8959 -30.132 -4.03797 GPRESSAVG: 2406000 1.94526 -36.4428 -32.4965 -33.315 -38.6174 -30.7397 -33.3974 -29.9538 -4.69083 TIMING: 2406000 CPU: 7603.62, 0.00313732/step Wall: 7603.62, 0.00313732/step, 2.26061 hours remaining, 238.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2406000 4042.0960 20606.8641 14442.3942 254.0099 -203363.4878 2581.7033 0.0000 0.0000 51814.4675 -109621.9528 297.7785 -161436.4203 -109267.8995 299.1023 259.6296 289.4574 759721.5763 -13.7310 -13.7877 PRESSURE: 2406200 387.959 -63.246 144.587 -63.2448 -10.2851 -26.5202 144.587 -26.5192 -114.401 GPRESSURE: 2406200 460.724 -100.484 54.448 -57.4044 -42.0276 -40.2859 142.186 -68.5312 -65.634 PRESSAVG: 2406200 75.416 -78.9451 -75.3231 -78.945 -38.6862 47.9886 -75.3231 47.9886 0.021118 GPRESSAVG: 2406200 76.2401 -82.4307 -74.468 -79.1783 -40.4924 47.9176 -73.6725 48.8978 1.03122 TIMING: 2406200 CPU: 7604.25, 0.00313994/step Wall: 7604.25, 0.00313994/step, 2.26233 hours remaining, 238.277344 MB of memory in use. ENERGY: 2406200 3966.8275 20544.0819 14315.4268 254.7170 -203544.4192 2655.5407 0.0000 0.0000 52090.7227 -109717.1025 299.3661 -161807.8252 -109353.8217 298.8399 87.7577 117.6875 760430.2190 12.2503 12.2596 PRESSURE: 2406400 54.2765 -298.945 -57.9073 -298.945 -413.248 28.3343 -57.9065 28.3325 -387.303 GPRESSURE: 2406400 -16.056 -215.094 -65.2962 -225.069 -230.921 88.8083 70.7761 -35.4087 -397.685 PRESSAVG: 2406400 76.191 -30.5651 -76.2539 -30.565 -44.7714 27.4322 -76.2539 27.4322 -10.6843 GPRESSAVG: 2406400 76.0836 -25.7603 -76.7611 -30.7445 -42.6621 28.8186 -75.5697 24.1666 -12.2509 TIMING: 2406400 CPU: 7604.88, 0.00316098/step Wall: 7604.88, 0.00316098/step, 2.27731 hours remaining, 238.277344 MB of memory in use. ENERGY: 2406400 4026.0418 20453.4703 14371.6101 240.1281 -203284.4351 2189.0106 0.0000 0.0000 52156.1018 -109848.0723 299.7418 -162004.1741 -109481.1390 298.8623 -248.7584 -214.8874 760684.3171 6.9118 7.0569 PRESSURE: 2406600 -99.7517 -121.165 -254.694 -121.165 -94.323 -139.625 -254.694 -139.626 -238.63 GPRESSURE: 2406600 -35.8181 -59.5544 -283.632 -211.074 -100.659 -141.83 -129.237 -135.593 -183.048 PRESSAVG: 2406600 48.7215 0.529892 -52.3365 0.529817 -2.50317 -18.0714 -52.3365 -18.0714 -8.70857 GPRESSAVG: 2406600 47.7645 -2.47247 -52.2029 -0.757452 -3.53283 -18.7181 -52.268 -16.2972 -7.43022 TIMING: 2406600 CPU: 7605.52, 0.00316429/step Wall: 7605.52, 0.00316429/step, 2.27952 hours remaining, 238.277344 MB of memory in use. ENERGY: 2406600 4040.3841 20423.3299 14421.2869 248.0760 -203371.5388 2342.4992 0.0000 0.0000 52186.1010 -109709.8617 299.9142 -161895.9627 -109350.3688 298.3248 -144.2348 -106.5085 760512.9266 12.5032 12.2672 PRESSURE: 2406800 -124.153 -41.0496 -18.0078 -41.0489 -124.986 -142.486 -18.0083 -142.487 15.871 GPRESSURE: 2406800 -81.5719 -36.8438 10.4973 -54.4568 -42.035 -24.9929 -38.6679 -89.3075 -6.39257 PRESSAVG: 2406800 4.80773 -11.3572 12.9707 -11.3572 4.18695 -29.1503 12.9707 -29.1503 8.99811 GPRESSAVG: 2406800 4.61059 -10.7039 12.6078 -9.37128 3.85095 -30.9604 11.1594 -29.1521 9.95714 TIMING: 2406800 CPU: 7606.15, 0.00317118/step Wall: 7606.15, 0.00317118/step, 2.28431 hours remaining, 238.277344 MB of memory in use. ENERGY: 2406800 3948.9771 20596.5759 14382.4698 252.8051 -203323.5899 2331.7227 0.0000 0.0000 52289.7639 -109521.2753 300.5100 -161811.0392 -109153.5971 299.3048 -77.7558 -43.3332 762319.5989 5.9976 6.1396 PRESSURE: 2407000 -120.326 -42.1171 -211.538 -42.1175 -75.2158 125.52 -211.537 125.521 68.2392 GPRESSURE: 2407000 -83.2942 -69.2374 -115.67 -19.2215 -55.4237 32.7312 -236.666 25.8547 103.766 PRESSAVG: 2407000 -23.0031 9.806 36.4174 9.80595 15.3942 -36.1197 36.4175 -36.1197 -6.53979 GPRESSAVG: 2407000 -22.9867 8.33523 38.4527 10.9132 15.2706 -33.6956 37.4165 -36.9635 -6.76679 TIMING: 2407000 CPU: 7606.79, 0.00316684/step Wall: 7606.79, 0.00316684/step, 2.28101 hours remaining, 238.277344 MB of memory in use. ENERGY: 2407000 3987.0610 20762.1657 14365.2476 257.6527 -203505.0834 2660.3439 0.0000 0.0000 52007.5444 -109465.0682 298.8881 -161472.6126 -109098.0395 299.7675 -42.4343 -11.6507 760940.1341 -4.7162 -4.8276 PRESSURE: 2407200 190.703 411.185 -17.6727 411.185 164.61 -167.938 -17.6735 -167.937 253.211 GPRESSURE: 2407200 196.9 412.977 -9.8884 265.684 184.187 -176.675 8.05763 -35.2377 296.596 PRESSAVG: 2407200 55.4325 -7.79953 47.8834 -7.79945 -33.8749 44.3293 47.8834 44.3292 28.5605 GPRESSAVG: 2407200 56.4391 -6.95511 46.9738 -10.3669 -34.5517 43.3242 47.8881 42.9637 27.4393 TIMING: 2407200 CPU: 7607.42, 0.00315199/step Wall: 7607.42, 0.00315199/step, 2.27014 hours remaining, 238.277344 MB of memory in use. ENERGY: 2407200 4037.7578 20732.8882 14415.7176 241.9900 -203552.9660 2497.0852 0.0000 0.0000 52284.0443 -109343.4828 300.4771 -161627.5272 -108973.5684 299.9300 202.8413 225.8945 761230.5425 16.7060 16.4422 PRESSURE: 2407400 -49.2703 202.261 -23.804 202.262 -326.666 311.893 -23.8051 311.893 65.3294 GPRESSURE: 2407400 -9.83528 207.258 -90.4161 167.422 -282.082 356.014 72.8419 248.632 69.3873 PRESSAVG: 2407400 -58.8982 -9.62964 -1.94935 -9.6296 -4.48605 11.7555 -1.94943 11.7554 7.29375 GPRESSAVG: 2407400 -59.7914 -9.59554 -2.68364 -8.13459 -4.12172 12.4854 0.206388 13.3806 7.33349 TIMING: 2407400 CPU: 7608.05, 0.00316614/step Wall: 7608.05, 0.00316614/step, 2.28015 hours remaining, 238.277344 MB of memory in use. ENERGY: 2407400 3996.2502 20624.3480 14420.6668 262.7680 -203387.0836 2234.0235 0.0000 0.0000 52173.3663 -109675.6607 299.8411 -161849.0270 -109316.0553 299.6975 -103.5355 -74.1768 759128.1709 -18.6968 -18.8599 PRESSURE: 2407600 128.395 -10.2974 26.4248 -10.2966 -446.541 -128.864 26.4239 -128.862 -30.925 GPRESSURE: 2407600 304.708 46.3802 -25.3566 -89.0225 -454.65 -108.941 39.4546 -133.165 -121.316 PRESSAVG: 2407600 -1.17329 -0.745631 11.3443 -0.745651 -13.0243 -5.66123 11.3443 -5.6612 -5.48838 GPRESSAVG: 2407600 -0.348725 -1.329 11.2559 -2.74368 -14.834 -6.50832 9.69645 -5.46713 -4.40902 TIMING: 2407600 CPU: 7608.68, 0.00316884/step Wall: 7608.68, 0.00316884/step, 2.28192 hours remaining, 238.277344 MB of memory in use. ENERGY: 2407600 4009.5483 20530.7263 14506.9706 242.1279 -203226.7829 2480.4498 0.0000 0.0000 52094.7471 -109362.2129 299.3892 -161456.9599 -108998.5425 299.1775 -116.3570 -90.4192 758669.7772 -6.5620 -6.5306 PRESSURE: 2407800 -291.658 144.24 255.843 144.24 61.7289 15.2084 255.843 15.2086 59.6794 GPRESSURE: 2407800 -157.123 140.507 207.1 123.611 -25.7646 67.1782 154.001 -37.0199 116.318 PRESSAVG: 2407800 37.4898 -32.2304 -22.0283 -32.2304 -48.8884 8.96097 -22.0283 8.96099 -1.13275 GPRESSAVG: 2407800 37.4763 -31.4404 -21.1048 -29.6843 -48.9007 9.67802 -24.1982 9.16729 -1.18128 TIMING: 2407800 CPU: 7609.32, 0.00316996/step Wall: 7609.32, 0.00316996/step, 2.28255 hours remaining, 238.277344 MB of memory in use. ENERGY: 2407800 3943.4579 20674.6671 14346.7209 244.7641 -203145.1622 2315.4303 0.0000 0.0000 52217.7216 -109402.4004 300.0960 -161620.1219 -109033.6533 299.6544 -56.7500 -22.1898 760984.8995 -4.1771 -4.2019 PRESSURE: 2408000 115.445 -140.001 10.9473 -140.001 -42.3549 -41.7249 10.9482 -41.7251 -291.292 GPRESSURE: 2408000 79.1937 -205.839 71.6016 -109.922 56.903 -26.6469 -88.5314 -57.2545 -261.954 PRESSAVG: 2408000 -5.71216 -27.5926 -8.94249 -27.5926 -17.9484 -2.54267 -8.94248 -2.54267 12.1546 GPRESSAVG: 2408000 -6.45897 -26.9173 -10.3369 -26.8392 -16.9797 -1.88992 -8.92108 -2.65933 11.9731 TIMING: 2408000 CPU: 7609.95, 0.00316744/step Wall: 7609.95, 0.00316744/step, 2.28056 hours remaining, 238.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2408000 4053.0179 20589.5767 14470.7022 255.0154 -203330.8652 2453.4557 0.0000 0.0000 52094.2383 -109414.8590 299.3863 -161509.0974 -109048.4337 299.3215 -72.7338 -41.9526 760774.1524 -3.8353 -3.8219 PRESSURE: 2408200 -125.381 48.2598 -458.543 48.2602 -230.805 127.414 -458.542 127.415 -72.2028 GPRESSURE: 2408200 -155.372 -10.1291 -405.357 27.478 -162.147 59.1902 -357.179 123.835 -0.270155 PRESSAVG: 2408200 1.74349 -30.2816 -15.3508 -30.2816 18.2311 1.75401 -15.3508 1.75399 11.2612 GPRESSAVG: 2408200 1.97132 -31.3614 -15.6132 -30.1164 19.4865 1.17009 -13.7903 3.91817 10.322 TIMING: 2408200 CPU: 7610.58, 0.0031632/step Wall: 7610.58, 0.0031632/step, 2.27733 hours remaining, 238.277344 MB of memory in use. ENERGY: 2408200 3991.5005 20664.0210 14435.3272 247.1845 -202850.6148 2214.8440 0.0000 0.0000 52074.8979 -109222.8397 299.2752 -161297.7377 -108857.4351 299.6300 -142.7963 -105.9297 760097.4153 10.4119 10.5933 LDB: ============= START OF LOAD BALANCING ============== 7622.98 LDB: ============== END OF LOAD BALANCING =============== 7622.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.98 LDB: ============= START OF LOAD BALANCING ============== 7623.3 LDB: Largest compute 7075 load 0.033987 is 17.3% of average load 0.196032 LDB: Average compute 0.004361 is 2.2% of average load 0.196032 LDB: TIME 7623.3 LOAD: AVG 0.196032 MAX 0.220961 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 241.555 MB LDB: TIME 7623.31 LOAD: AVG 0.196032 MAX 0.220961 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.758 MB LDB: TIME 7623.31 LOAD: AVG 0.196032 MAX 0.220961 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7623.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7623.31 PRESSURE: 2408400 10.5315 -37.1107 294.02 -37.1106 12.1832 98.5658 294.019 98.566 235.844 GPRESSURE: 2408400 12.7966 4.59651 233.646 -24.2416 8.55774 25.6143 272.682 5.59966 311.236 PRESSAVG: 2408400 25.3082 -8.87831 -45.3364 -8.87829 -23.0554 24.5086 -45.3364 24.5086 3.21429 GPRESSAVG: 2408400 26.2271 -8.54775 -43.9521 -10.5503 -24.0669 25.1113 -45.6598 22.7086 3.6855 TIMING: 2408400 CPU: 7611.23, 0.00323711/step Wall: 7611.23, 0.00323711/step, 2.33036 hours remaining, 237.699219 MB of memory in use. ENERGY: 2408400 3976.0580 20646.4953 14517.6251 239.7591 -203463.9443 2575.3311 0.0000 0.0000 52208.0545 -109300.6214 300.0404 -161508.6758 -108942.5464 299.3650 86.1861 110.8634 760060.5013 1.8224 1.9486 PRESSURE: 2408600 130.241 65.9164 -75.4556 65.9157 51.3529 405.855 -75.4542 405.855 -179.413 GPRESSURE: 2408600 119.971 31.8863 -58.8231 -30.9325 69.5579 377.312 -12.068 357.514 -105.064 PRESSAVG: 2408600 50.7383 -12.814 24.3953 -12.8141 -34.9182 33.5616 24.3953 33.5616 14.7697 GPRESSAVG: 2408600 48.9183 -11.4823 23.6513 -14.3499 -33.6242 31.8607 24.7247 35.6635 15.0208 TIMING: 2408600 CPU: 7611.87, 0.00318735/step Wall: 7611.87, 0.00318735/step, 2.29436 hours remaining, 237.699219 MB of memory in use. ENERGY: 2408600 4042.7165 20538.0653 14496.1795 256.5376 -203215.5531 2508.8270 0.0000 0.0000 52184.5001 -109188.7271 299.9050 -161373.2272 -108822.8722 300.3759 0.7271 28.1550 760832.4102 10.1966 10.1049 PRESSURE: 2408800 -1.35827 23.7976 112.239 23.7971 40.2947 234.061 112.238 234.062 -224.379 GPRESSURE: 2408800 -34.9307 -121.844 106.075 43.0983 101.259 284.361 22.0842 317.26 -187.208 PRESSAVG: 2408800 30.8476 32.5487 -23.8639 32.5488 -23.2452 70.8898 -23.8639 70.8897 11.4391 GPRESSAVG: 2408800 32.8806 32.0468 -24.1582 32.9991 -24.2945 70.2612 -25.5509 70.5708 10.5203 TIMING: 2408800 CPU: 7612.5, 0.00316154/step Wall: 7612.5, 0.00316154/step, 2.27561 hours remaining, 237.699219 MB of memory in use. ENERGY: 2408800 4022.3547 20629.2065 14433.4807 246.1904 -203407.2360 2713.3696 0.0000 0.0000 52103.5616 -109259.0726 299.4399 -161362.6342 -108893.2068 299.9916 -61.8141 -40.2932 762061.4870 6.3472 6.3688 PRESSURE: 2409000 -103.958 -88.2972 83.5312 -88.297 -223.869 64.7697 83.5305 64.7697 -26.0485 GPRESSURE: 2409000 -188.481 -69.1256 107.551 -33.2741 -91.7992 69.2834 11.9194 -47.8285 29.8498 PRESSAVG: 2409000 -9.7826 16.4015 -26.7963 16.4016 -0.011891 51.0711 -26.7962 51.0712 10.7438 GPRESSAVG: 2409000 -10.5379 15.6985 -26.7298 18.464 -0.230394 53.3824 -23.6504 48.6628 11.3507 TIMING: 2409000 CPU: 7613.13, 0.00316935/step Wall: 7613.13, 0.00316936/step, 2.28106 hours remaining, 237.699219 MB of memory in use. ENERGY: 2409000 4013.9543 20646.9026 14389.1498 240.1668 -203104.8578 2469.1406 0.0000 0.0000 52125.1522 -109220.3914 299.5640 -161345.5436 -108865.0206 299.6218 -117.9585 -83.4768 762008.7305 0.3164 0.1941 PRESSURE: 2409200 -158.88 -25.6693 137.843 -25.6698 47.9667 25.9975 137.843 25.9971 -466.93 GPRESSURE: 2409200 -161.607 37.8191 113.466 74.0034 47.4413 -50.4001 79.6199 -125.492 -385.735 PRESSAVG: 2409200 36.8246 -24.4823 15.5217 -24.4823 -46.5153 1.96792 15.5216 1.96792 2.38977 GPRESSAVG: 2409200 36.89 -24.2546 16.097 -24.6217 -46.9824 0.766324 14.3602 3.43622 2.93107 TIMING: 2409200 CPU: 7613.77, 0.0031658/step Wall: 7613.77, 0.0031658/step, 2.27832 hours remaining, 237.699219 MB of memory in use. ENERGY: 2409200 4103.9174 20531.4384 14456.6923 269.9540 -203300.2296 2536.6916 0.0000 0.0000 52146.4870 -109255.0489 299.6866 -161401.5360 -108894.6510 299.7741 -192.6143 -166.6336 762285.8812 -2.4336 -2.3871 PRESSURE: 2409400 164.779 34.2024 -48.5361 34.202 52.1218 -196.626 -48.5359 -196.627 -77.0236 GPRESSURE: 2409400 152.981 -8.00077 -23.5187 32.2823 125.989 -132.452 -87.2653 -160.557 -62.5572 PRESSAVG: 2409400 9.46159 4.26953 25.7408 4.26946 -23.8511 29.7841 25.7407 29.7841 -13.012 GPRESSAVG: 2409400 8.95842 3.24884 22.5773 4.28278 -23.0773 29.628 24.6061 30.4369 -13.5789 TIMING: 2409400 CPU: 7614.4, 0.00318059/step Wall: 7614.4, 0.00318059/step, 2.28879 hours remaining, 237.699219 MB of memory in use. ENERGY: 2409400 3999.4648 20553.0012 14367.4047 272.0800 -203378.4432 2527.9762 0.0000 0.0000 52257.2539 -109401.2625 300.3232 -161658.5164 -109027.0156 299.5294 46.6257 72.1376 760311.1256 -9.1338 -9.2326 PRESSURE: 2409600 315.442 -37.9475 130.115 -37.9468 -123.259 -40.7118 130.114 -40.7118 -86.1189 GPRESSURE: 2409600 288.931 -44.5056 139.576 -119.468 -85.5941 -73.7704 218.925 -82.2099 -6.18606 PRESSAVG: 2409600 -25.0377 -17.6624 -12.6706 -17.6623 -34.1721 25.502 -12.6707 25.5019 26.9217 GPRESSAVG: 2409600 -24.0264 -14.6371 -10.9719 -18.9682 -34.983 25.7352 -12.5486 25.4002 26.8575 TIMING: 2409600 CPU: 7615.04, 0.00317637/step Wall: 7615.04, 0.00317637/step, 2.28558 hours remaining, 237.699219 MB of memory in use. ENERGY: 2409600 3945.4586 20593.2157 14399.8968 229.3364 -203371.4348 2790.8443 0.0000 0.0000 51968.4490 -109444.2341 298.6634 -161412.6830 -109074.1555 299.2913 35.3547 65.7170 762036.2587 -10.7627 -10.7173 PRESSURE: 2409800 20.6143 -78.6683 -82.2573 -78.668 -165.048 -58.6531 -82.257 -58.6528 -22.1466 GPRESSURE: 2409800 65.5863 -93.7156 -139.69 -7.79685 -157.096 5.27686 -5.62623 -44.187 4.13784 PRESSAVG: 2409800 8.733 -56.572 34.1876 -56.5719 -43.7393 4.18301 34.1876 4.18294 18.956 GPRESSAVG: 2409800 8.65488 -57.5039 34.0616 -55.3569 -43.5377 4.45253 35.6238 3.21238 19.1581 TIMING: 2409800 CPU: 7615.67, 0.00316337/step Wall: 7615.67, 0.00316337/step, 2.27605 hours remaining, 237.699219 MB of memory in use. ENERGY: 2409800 3976.3275 20476.5108 14471.4847 236.3020 -203233.9607 2355.0543 0.0000 0.0000 52243.0117 -109475.2697 300.2413 -161718.2814 -109111.4422 299.3151 -55.5269 -29.1241 760974.0669 -5.3501 -5.2416 PRESSURE: 2410000 -146.96 -14.1356 204.974 -14.1354 -137.619 -71.5587 204.973 -71.5586 -152.416 GPRESSURE: 2410000 -118.272 -126.769 229.852 40.1952 -139.512 -43.1329 10.7498 -51.622 -97.0301 PRESSAVG: 2410000 65.9283 -26.7479 -0.583194 -26.7478 -72.9505 9.79385 -0.583242 9.79378 -9.72046 GPRESSAVG: 2410000 66.2285 -26.9692 -1.02563 -26.7113 -73.4357 9.75147 -0.00695468 9.65668 -9.44462 TIMING: 2410000 CPU: 7616.31, 0.00319643/step Wall: 7616.31, 0.00319643/step, 2.29965 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2410000 4035.8046 20529.7227 14474.6714 244.9871 -203122.7647 2304.7721 0.0000 0.0000 52168.6598 -109364.1468 299.8140 -161532.8067 -108999.7876 299.1824 -145.6651 -118.2714 761030.5240 -5.5809 -5.5506 PRESSURE: 2410200 46.0043 169.514 222.126 169.513 -189.505 -35.7603 222.125 -35.7602 70.1595 GPRESSURE: 2410200 85.5249 212.553 210.598 207.025 -102.617 -70.7222 170.316 -42.5884 26.3908 PRESSAVG: 2410200 22.4437 24.7388 -8.70012 24.7388 -40.4579 -27.981 -8.70006 -27.981 -6.53059 GPRESSAVG: 2410200 22.4873 25.4714 -7.18136 22.0316 -39.3628 -28.5053 -9.33793 -26.683 -7.47409 TIMING: 2410200 CPU: 7616.95, 0.00320527/step Wall: 7616.95, 0.00320527/step, 2.30583 hours remaining, 237.699219 MB of memory in use. ENERGY: 2410200 4012.8460 20625.5266 14467.7251 240.4621 -202986.2499 2313.2696 0.0000 0.0000 52151.8891 -109174.5316 299.7176 -161326.4206 -108806.7601 299.7575 -24.4470 3.0997 762409.4581 -8.1816 -8.1165 PRESSURE: 2410400 -143.444 90.0979 40.935 90.0982 136.012 -94.2939 40.9357 -94.293 34.0959 GPRESSURE: 2410400 -70.8228 -31.1058 58.0933 92.1194 102.312 -32.6215 -17.845 -187.272 75.116 PRESSAVG: 2410400 -5.71095 45.0058 -9.87492 45.0058 27.4616 35.2012 -9.87492 35.2013 10.9931 GPRESSAVG: 2410400 -5.20507 45.1596 -10.3607 45.605 26.1285 35.4814 -11.6895 35.7018 11.5011 TIMING: 2410400 CPU: 7617.59, 0.00320942/step Wall: 7617.59, 0.00320942/step, 2.30865 hours remaining, 237.699219 MB of memory in use. ENERGY: 2410400 3975.8758 20396.2989 14419.4645 233.6337 -203298.5533 2698.8517 0.0000 0.0000 52123.4432 -109450.9855 299.5541 -161574.4287 -109084.1366 299.7106 8.8882 35.5350 764252.9171 10.9146 10.8082 PRESSURE: 2410600 243.967 48.3836 -225.397 48.3838 329.045 -32.3364 -225.397 -32.3361 143.946 GPRESSURE: 2410600 248.591 96.9869 -230.471 12.7786 382.694 -6.15273 -265.144 -76.1446 152.886 PRESSAVG: 2410600 8.05716 -20.0899 12.3144 -20.0898 32.7781 18.5796 12.3144 18.5794 -6.59916 GPRESSAVG: 2410600 7.72819 -20.6516 10.2884 -19.231 34.0536 18.9363 14.082 15.5258 -7.67007 TIMING: 2410600 CPU: 7618.23, 0.00317722/step Wall: 7618.23, 0.00317722/step, 2.28531 hours remaining, 237.699219 MB of memory in use. ENERGY: 2410600 3969.1562 20394.0856 14345.1245 249.4718 -202901.4616 2407.9696 0.0000 0.0000 51851.6190 -109684.0348 297.9920 -161535.6539 -109331.2418 298.8926 238.9864 261.3901 760373.6235 11.4120 11.3706 PRESSURE: 2410800 -325.817 -119.663 -41.5856 -119.662 72.0047 -326.291 -41.5857 -326.29 -208.617 GPRESSURE: 2410800 -225.953 -147.666 -19.4645 -205.958 115.844 -279.982 -122.689 -245.149 -248.479 PRESSAVG: 2410800 -34.6846 0.301997 58.9204 0.301883 -10.8035 17.7923 58.9205 17.7923 -23.3008 GPRESSAVG: 2410800 -36.4159 1.42516 59.4408 1.02795 -10.0442 17.1427 57.5498 20.6028 -22.4561 TIMING: 2410800 CPU: 7618.87, 0.00318794/step Wall: 7618.87, 0.00318794/step, 2.29284 hours remaining, 237.699219 MB of memory in use. ENERGY: 2410800 4079.3791 20480.0769 14434.1453 240.7354 -203550.4191 2587.6948 0.0000 0.0000 51985.3856 -109743.0021 298.7607 -161728.3876 -109382.8488 298.7395 -154.1429 -119.5295 760567.4864 -22.9296 -22.9721 PRESSURE: 2411000 -339.374 104.652 37.2203 104.651 -322.863 113.568 37.22 113.569 -288.445 GPRESSURE: 2411000 -256.969 145.885 109.421 11.2527 -344.06 162.814 23.6646 64.5575 -263.514 PRESSAVG: 2411000 31.4998 -32.5411 -3.14225 -32.5411 -47.5778 -27.1437 -3.1423 -27.1437 -1.76268 GPRESSAVG: 2411000 32.79 -32.2674 -2.29308 -32.8417 -49.0995 -27.3825 -2.17323 -26.4478 -1.14014 TIMING: 2411000 CPU: 7619.5, 0.00318357/step Wall: 7619.5, 0.00318358/step, 2.28952 hours remaining, 237.699219 MB of memory in use. ENERGY: 2411000 4018.0942 20460.7336 14422.6289 252.1344 -202912.9998 2144.6564 0.0000 0.0000 51958.0124 -109656.7398 298.6034 -161614.7522 -109292.2313 299.2917 -316.8940 -288.1813 762886.5157 -5.9469 -5.8165 PRESSURE: 2411200 -252.993 25.2163 -260.737 25.2174 -142.282 -52.3659 -260.737 -52.3669 0.841149 GPRESSURE: 2411200 -162.089 -81.3387 -212.128 21.0617 -209.152 26.9206 -256.336 -63.775 47.007 PRESSAVG: 2411200 10.1898 -23.6419 -45.6097 -23.6419 -50.9926 -17.415 -45.6097 -17.415 -14.0116 GPRESSAVG: 2411200 9.91995 -25.312 -45.0877 -25.6053 -51.1207 -15.4179 -47.5265 -20.9768 -13.5794 TIMING: 2411200 CPU: 7620.14, 0.00320894/step Wall: 7620.14, 0.00320894/step, 2.30758 hours remaining, 237.699219 MB of memory in use. ENERGY: 2411200 4034.5637 20346.2853 14381.5700 241.5810 -203608.2099 2710.6680 0.0000 0.0000 52165.7660 -109727.7759 299.7974 -161893.5419 -109362.9110 298.9908 -131.4782 -108.0778 761965.2719 -18.2714 -18.2600 PRESSURE: 2411400 26.2205 217.442 108.257 217.443 89.8905 -34.1638 108.257 -34.164 293.397 GPRESSURE: 2411400 64.9852 252.017 143.838 183.132 130.355 41.7227 159.996 107.326 330.438 PRESSAVG: 2411400 47.6021 -22.7523 -4.51479 -22.7523 -7.12632 -0.615306 -4.51481 -0.615336 22.7496 GPRESSAVG: 2411400 48.4358 -20.9294 -4.3508 -20.7313 -6.94092 -1.31617 -3.24223 1.3809 22.0484 TIMING: 2411400 CPU: 7620.78, 0.00317918/step Wall: 7620.78, 0.00317918/step, 2.286 hours remaining, 237.699219 MB of memory in use. ENERGY: 2411400 3972.8085 20343.9555 14449.4224 231.2781 -203411.8611 2575.4757 0.0000 0.0000 52016.9580 -109821.9628 298.9422 -161838.9208 -109456.9291 298.7987 136.5028 175.2595 759413.0551 21.0751 21.1811 PRESSURE: 2411600 -3.38679 -143.438 189.351 -143.438 -38.1661 85.9641 189.35 85.9638 337.224 GPRESSURE: 2411600 38.4527 -287.446 173.688 -285.419 39.4032 96.2037 105.186 105.582 297.039 PRESSAVG: 2411600 -54.7784 -12.6019 23.0643 -12.6019 65.0787 1.79358 23.0643 1.79361 1.33906 GPRESSAVG: 2411600 -55.923 -13.5055 21.2362 -14.3148 64.9334 1.36155 24.1687 1.2326 2.31769 TIMING: 2411600 CPU: 7621.41, 0.00315906/step Wall: 7621.41, 0.00315906/step, 2.27136 hours remaining, 237.699219 MB of memory in use. ENERGY: 2411600 3993.1318 20297.4215 14477.6267 258.5170 -203119.2095 2323.1248 0.0000 0.0000 52074.2080 -109695.1797 299.2712 -161769.3877 -109325.0390 298.5965 98.5570 124.9651 759665.7043 3.8798 3.7760 PRESSURE: 2411800 -137.343 308.9 152.51 308.9 -174.626 -44.5268 152.509 -44.5278 -104.09 GPRESSURE: 2411800 -128.956 251.665 194.133 276.296 -134.288 -20.7576 65.7891 -54.0375 -57.6174 PRESSAVG: 2411800 -49.138 -6.16595 17.8022 -6.16594 34.3521 21.024 17.8022 21.0241 -3.41072 GPRESSAVG: 2411800 -48.9343 -8.49373 19.1846 -3.5478 33.7395 19.3626 16.56 21.7824 -3.42926 TIMING: 2411800 CPU: 7622.04, 0.00314324/step Wall: 7622.04, 0.00314323/step, 2.25981 hours remaining, 237.699219 MB of memory in use. ENERGY: 2411800 3998.7566 20462.4674 14451.3964 255.8944 -202877.5241 1992.2370 0.0000 0.0000 52131.4073 -109585.3649 299.5999 -161716.7722 -109227.5498 299.1441 -138.6864 -106.9537 759563.6968 -6.0655 -6.2080 PRESSURE: 2412000 227.18 -157.503 -173.592 -157.503 -201.96 172.421 -173.592 172.421 54.7912 GPRESSURE: 2412000 227.827 -110.834 -221.669 -120.615 -126.892 154.465 -198.334 190.108 58.8353 PRESSAVG: 2412000 7.69644 -15.4293 -4.9797 -15.4294 -3.18691 -42.925 -4.97969 -42.9249 -9.03761 GPRESSAVG: 2412000 8.03645 -11.7767 -4.41162 -17.3543 -1.90521 -42.0806 -5.63425 -41.9522 -10.9553 TIMING: 2412000 CPU: 7622.67, 0.0031496/step Wall: 7622.67, 0.0031496/step, 2.26421 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 3983.7992 20455.7601 14433.8030 233.7967 -203091.9603 2440.1825 0.0000 0.0000 51948.2541 -109596.3646 298.5473 -161544.6187 -109236.5939 298.9457 26.6703 53.2565 762360.7649 -1.5094 -1.6080 PRESSURE: 2412200 183.136 49.4375 199.347 49.438 -140.683 22.1603 199.348 22.1598 -124.044 GPRESSURE: 2412200 187.037 169.795 171.753 -8.55738 -50.5799 -8.55216 150.855 16.7981 -135.663 PRESSAVG: 2412200 -31.1511 -18.6724 1.40134 -18.6724 48.1795 -13.3852 1.40128 -13.3852 -4.46193 GPRESSAVG: 2412200 -32.0223 -17.7954 0.267521 -18.1656 47.7799 -14.8459 0.562127 -12.7792 -3.18632 TIMING: 2412200 CPU: 7623.3, 0.00314959/step Wall: 7623.3, 0.00314959/step, 2.26403 hours remaining, 237.699219 MB of memory in use. ENERGY: 2412200 3954.9734 20495.7724 14482.1508 244.7273 -203002.3431 2346.2358 0.0000 0.0000 52023.4096 -109455.0739 298.9792 -161478.4835 -109089.7662 298.5271 -27.1972 0.2649 762755.5055 4.1888 4.1904 LDB: ============= START OF LOAD BALANCING ============== 7635.7 LDB: ============== END OF LOAD BALANCING =============== 7635.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7635.7 LDB: ============= START OF LOAD BALANCING ============== 7636.02 LDB: Largest compute 7058 load 0.033344 is 17.0% of average load 0.195961 LDB: Average compute 0.004372 is 2.2% of average load 0.195961 LDB: TIME 7636.02 LOAD: AVG 0.195961 MAX 0.220076 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 7636.02 LOAD: AVG 0.195961 MAX 0.220076 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.535 MB LDB: TIME 7636.02 LOAD: AVG 0.195961 MAX 0.218305 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.535 MB LDB: ============== END OF LOAD BALANCING =============== 7636.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7636.03 PRESSURE: 2412400 -17.554 -27.4215 10.6997 -27.4225 120.065 178.857 10.7005 178.857 -406.311 GPRESSURE: 2412400 11.0499 -64.9622 108.325 -25.6383 156.067 108.446 -22.0495 185.352 -359.677 PRESSAVG: 2412400 -1.86497 -42.2392 63.1864 -42.2392 9.60405 -42.1077 63.1865 -42.1076 -44.2154 GPRESSAVG: 2412400 -1.56886 -45.1162 63.6539 -42.5804 8.8113 -39.2741 62.7216 -44.815 -44.0303 TIMING: 2412400 CPU: 7623.94, 0.00321234/step Wall: 7623.94, 0.00321234/step, 2.30896 hours remaining, 237.640625 MB of memory in use. ENERGY: 2412400 4001.5828 20602.0381 14424.3303 250.5030 -203241.0015 2702.9259 0.0000 0.0000 51971.5022 -109288.1191 298.6809 -161259.6213 -108934.7908 299.2446 -101.2666 -64.1869 763364.2934 -12.1588 -12.2626 PRESSURE: 2412600 267.149 -253.118 83.5873 -253.119 -17.4735 -102.159 83.587 -102.159 12.739 GPRESSURE: 2412600 226.859 -234.413 149.829 -67.7832 117.181 -26.4774 92.8392 -142.895 -14.4832 PRESSAVG: 2412600 7.95078 -38.9054 -10.1591 -38.9054 13.7794 -46.782 -10.1592 -46.782 7.09075 GPRESSAVG: 2412600 8.03694 -38.5445 -9.81452 -38.0367 13.7244 -47.8185 -7.90896 -47.3913 7.23355 TIMING: 2412600 CPU: 7624.57, 0.00315806/step Wall: 7624.57, 0.00315806/step, 2.26977 hours remaining, 237.640625 MB of memory in use. ENERGY: 2412600 3952.5133 20541.9101 14327.8917 244.3139 -203384.8779 2619.7550 0.0000 0.0000 52298.9024 -109399.5916 300.5625 -161698.4940 -109019.0198 299.4592 87.4716 109.8524 762931.6178 9.6070 9.6650 PRESSURE: 2412800 -181.337 -44.7245 -178.84 -44.7245 148.777 -56.6502 -178.84 -56.6499 66.7673 GPRESSURE: 2412800 -93.9109 6.52594 -299.911 -39.1597 206.373 -58.6122 -71.298 -50.1167 3.31589 PRESSAVG: 2412800 5.29294 -14.2916 31.4828 -14.2916 -25.8135 0.618064 31.4828 0.618041 -9.00151 GPRESSAVG: 2412800 4.52359 -12.441 30.8709 -12.5368 -24.9325 -0.1629 31.9242 2.61215 -8.79212 TIMING: 2412800 CPU: 7625.21, 0.00315336/step Wall: 7625.21, 0.00315336/step, 2.26622 hours remaining, 237.640625 MB of memory in use. ENERGY: 2412800 4098.0763 20602.8646 14412.3430 248.1545 -203499.9768 2921.9397 0.0000 0.0000 52224.7354 -108991.8633 300.1363 -161216.5987 -108625.7134 299.6223 11.4025 38.5927 764116.6697 -9.8407 -9.7337 PRESSURE: 2413000 -160.117 145.543 276.741 145.543 -99.8131 6.7878 276.741 6.78693 -211.946 GPRESSURE: 2413000 -113.482 236.674 293.823 11.3476 -184.394 -91.0799 219.725 6.28425 -78.1052 PRESSAVG: 2413000 -25.4679 0.613942 20.6041 0.613945 22.5986 5.88744 20.604 5.88747 -17.2951 GPRESSAVG: 2413000 -24.6041 -0.207409 19.8091 -0.683616 22.4328 6.39723 20.344 5.46368 -17.9297 TIMING: 2413000 CPU: 7625.84, 0.0031675/step Wall: 7625.84, 0.0031675/step, 2.2762 hours remaining, 237.640625 MB of memory in use. ENERGY: 2413000 4003.2210 20592.6530 14461.8261 237.9352 -202756.3572 2351.9017 0.0000 0.0000 52060.8832 -109047.9370 299.1946 -161108.8202 -108679.1825 299.9287 -157.2920 -125.3272 764339.2806 -6.7215 -6.7003 PRESSURE: 2413200 4.29055 -24.9714 184.444 -24.9708 -76.7554 26.5231 184.444 26.5231 -191.612 GPRESSURE: 2413200 -20.6681 23.9138 237.003 -28.8033 14.0683 13.5156 167.702 -75.2345 -165.967 PRESSAVG: 2413200 29.627 62.5786 3.04466 62.5786 -12.9224 12.5257 3.04468 12.5258 0.814865 GPRESSAVG: 2413200 30.1582 62.8587 4.66373 62.0187 -13.5536 11.4333 0.993852 13.9237 1.41556 TIMING: 2413200 CPU: 7626.47, 0.00315231/step Wall: 7626.47, 0.00315231/step, 2.26511 hours remaining, 237.640625 MB of memory in use. ENERGY: 2413200 3908.8996 20547.7942 14380.4703 262.8874 -202441.5664 2244.4447 0.0000 0.0000 52052.6194 -109044.4509 299.1471 -161097.0703 -108664.0355 299.6575 -88.0254 -57.5221 764301.9281 5.8398 6.0067 PRESSURE: 2413400 165.995 0.762963 -106.849 0.761848 118.648 -22.8392 -106.849 -22.8392 -259.925 GPRESSURE: 2413400 199.877 -29.5045 -192.051 55.2263 76.921 52.3258 -81.5575 -24.7724 -172.148 PRESSAVG: 2413400 -15.2093 10.2346 0.625174 10.2346 40.6417 -2.21467 0.625196 -2.21473 -10.5066 GPRESSAVG: 2413400 -15.9139 8.80543 0.468638 12.1599 40.5909 -0.530372 2.42838 -4.45357 -9.57357 TIMING: 2413400 CPU: 7627.1, 0.00316909/step Wall: 7627.1, 0.00316909/step, 2.27699 hours remaining, 237.640625 MB of memory in use. ENERGY: 2413400 3938.0428 20491.7611 14382.6284 255.0580 -203180.1748 2684.3019 0.0000 0.0000 52374.3028 -109054.0797 300.9958 -161428.3825 -108681.3115 300.0034 8.2391 34.8834 762932.8986 4.9753 5.0345 PRESSURE: 2413600 -245.17 156.407 321.483 156.406 284.165 86.3755 321.482 86.3747 202.106 GPRESSURE: 2413600 -241.673 173.236 382.976 167.306 346.551 134.095 329.167 141.266 226.02 PRESSAVG: 2413600 -31.6451 36.7786 60.3183 36.7785 60.5713 29.1005 60.3183 29.1006 37.279 GPRESSAVG: 2413600 -31.0572 38.4272 60.9868 34.7055 60.4045 28.3172 59.4673 28.8809 36.9426 TIMING: 2413600 CPU: 7627.74, 0.00317247/step Wall: 7627.74, 0.00317247/step, 2.27924 hours remaining, 237.640625 MB of memory in use. ENERGY: 2413600 4042.9807 20692.0171 14421.5246 240.2597 -203100.2570 2500.4242 0.0000 0.0000 52001.1548 -109201.8958 298.8514 -161203.0507 -108848.6735 300.3120 80.3670 110.2995 761846.6897 22.0684 22.0966 PRESSURE: 2413800 -41.5198 -45.7292 176.117 -45.729 48.8342 -81.076 176.116 -81.0755 48.6991 GPRESSURE: 2413800 -63.3383 48.0773 257.02 -47.299 121.736 -168.689 140.94 -15.3825 83.7367 PRESSAVG: 2413800 -25.2742 6.27674 32.9953 6.27671 -18.2075 9.85176 32.9952 9.85162 -14.8905 GPRESSAVG: 2413800 -24.7972 5.47539 31.8674 7.10994 -18.2588 11.1313 31.7331 9.13435 -15.5188 TIMING: 2413800 CPU: 7628.37, 0.00317905/step Wall: 7628.37, 0.00317905/step, 2.2838 hours remaining, 237.640625 MB of memory in use. ENERGY: 2413800 3958.7577 20538.2798 14405.7911 253.1291 -203258.9585 2785.0171 0.0000 0.0000 52018.4403 -109299.5433 298.9507 -161317.9836 -108935.2567 299.4046 18.6711 47.3781 762405.4542 -19.4574 -19.5249 PRESSURE: 2414000 -635.774 133.02 -1.2744 133.02 -266.091 31.2069 -1.27518 31.2078 183.07 GPRESSURE: 2414000 -639.347 221.753 -63.606 98.5115 -190.063 -57.2035 -7.78309 -120.371 207.849 PRESSAVG: 2414000 -33.6001 -29.8598 28.057 -29.8598 62.5 -55.7668 28.0571 -55.7668 9.81982 GPRESSAVG: 2414000 -33.2548 -29.2794 27.3359 -29.5639 63.2018 -55.1239 29.8672 -55.2087 9.74379 TIMING: 2414000 CPU: 7629.01, 0.00315716/step Wall: 7629.01, 0.00315716/step, 2.26789 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2414000 4061.1313 20462.0178 14483.7748 236.9918 -202830.3540 2265.8304 0.0000 0.0000 51906.2388 -109414.3690 298.3059 -161320.6078 -109059.9196 298.9103 -239.5984 -207.1868 762653.5069 12.9066 13.2303 PRESSURE: 2414200 -4.67592 -6.95329 103.534 -6.95359 221.264 -94.7048 103.533 -94.7047 -311.516 GPRESSURE: 2414200 -7.58916 33.5874 166.861 -43.0848 206.653 -59.4842 138.639 -49.2147 -228.685 PRESSAVG: 2414200 -42.4695 -26.2835 16.9947 -26.2835 7.55883 -71.9813 16.9947 -71.9813 14.2464 GPRESSAVG: 2414200 -42.1063 -26.7427 18.741 -26.1953 7.32044 -72.6613 15.7195 -72.0187 15.1211 TIMING: 2414200 CPU: 7629.64, 0.00317663/step Wall: 7629.64, 0.00317663/step, 2.2817 hours remaining, 237.640625 MB of memory in use. ENERGY: 2414200 4016.6510 20582.9602 14452.7587 247.4370 -203484.8610 2710.7961 0.0000 0.0000 52085.3379 -109388.9201 299.3352 -161474.2581 -109024.5735 299.0715 -31.6426 -9.8735 760637.5354 -6.8881 -6.5549 PRESSURE: 2414400 97.5336 -299.511 -263.536 -299.511 -71.7352 -7.8564 -263.535 -7.85672 16.4724 GPRESSURE: 2414400 105.078 -221.663 -156.504 -230.134 -3.39528 -103.684 -174.516 74.4011 -0.527661 PRESSAVG: 2414400 -49.8578 -15.915 48.8187 -15.915 8.71627 7.93056 48.8187 7.9306 -21.3043 GPRESSAVG: 2414400 -50.1668 -15.7573 47.6229 -16.9978 9.99968 8.27317 50.1411 8.74589 -22.4429 TIMING: 2414400 CPU: 7630.27, 0.00315744/step Wall: 7630.27, 0.00315744/step, 2.26774 hours remaining, 237.640625 MB of memory in use. ENERGY: 2414400 3921.2971 20518.6099 14516.0165 252.2294 -203187.0800 2438.6640 0.0000 0.0000 52054.9822 -109485.2809 299.1607 -161540.2631 -109114.1472 299.1390 14.0903 33.7182 760096.6965 -20.8153 -20.8700 PRESSURE: 2414600 -59.2908 67.2134 -51.127 67.2134 -41.1743 97.2367 -51.1271 97.2364 164.237 GPRESSURE: 2414600 16.0642 -21.9818 -145.192 53.067 -36.0659 25.8103 22.328 170.879 151.008 PRESSAVG: 2414600 -65.7175 39.2238 26.9552 39.2238 45.4213 -38.014 26.9552 -38.014 -21.813 GPRESSAVG: 2414600 -67.1702 39.0104 26.2411 39.5444 45.6685 -39.0778 29.5251 -36.5403 -20.8383 TIMING: 2414600 CPU: 7630.9, 0.00315816/step Wall: 7630.9, 0.00315816/step, 2.26809 hours remaining, 237.640625 MB of memory in use. ENERGY: 2414600 3952.3555 20591.4954 14435.2771 236.1868 -203506.9425 2786.5042 0.0000 0.0000 52129.1305 -109375.9930 299.5868 -161505.1235 -109018.5846 299.5784 21.2574 43.6688 760786.3585 -14.0364 -14.1133 PRESSURE: 2414800 -527.811 119.945 181.627 119.946 -59.3723 -57.3466 181.626 -57.3473 -93.9499 GPRESSURE: 2414800 -528.2 140.06 100.044 132.638 5.78211 -30.4054 228.973 -158.523 -74.0631 PRESSAVG: 2414800 -47.431 13.6457 33.537 13.6457 44.2352 -41.7445 33.537 -41.7444 9.33219 GPRESSAVG: 2414800 -46.3207 13.8701 32.6269 13.3226 43.7978 -41.1201 33.274 -41.4542 9.1423 TIMING: 2414800 CPU: 7631.53, 0.00315547/step Wall: 7631.53, 0.00315546/step, 2.26597 hours remaining, 237.640625 MB of memory in use. ENERGY: 2414800 4050.9237 20646.1177 14396.6375 232.1059 -203186.7266 2521.8037 0.0000 0.0000 51977.9473 -109361.1909 298.7180 -161339.1382 -109004.2659 299.4838 -227.0445 -198.8269 762366.4930 2.0455 2.2065 PRESSURE: 2415000 -186.085 66.5885 24.8277 66.5891 232.489 116.51 24.8278 116.51 91.0908 GPRESSURE: 2415000 -97.9677 77.4748 14.7167 73.2221 287.809 123.592 69.1723 107.782 38.1021 PRESSAVG: 2415000 -23.2512 -4.13173 29.1268 -4.13171 9.72848 13.8528 29.1269 13.8528 -14.1 GPRESSAVG: 2415000 -23.4794 -2.96822 30.2451 -3.0673 10.3429 14.3125 25.6273 12.57 -14.1668 TIMING: 2415000 CPU: 7632.17, 0.00316073/step Wall: 7632.17, 0.00316073/step, 2.26958 hours remaining, 237.640625 MB of memory in use. ENERGY: 2415000 3936.7266 20428.9392 14385.5897 252.7265 -203645.2277 2780.1628 0.0000 0.0000 52289.6707 -109571.4122 300.5095 -161861.0829 -109196.1023 299.5113 45.8316 75.9811 759843.4070 -9.2075 -9.1011 PRESSURE: 2415200 152.411 -104.899 81.7332 -104.897 -71.0384 78.2574 81.7332 78.2569 121.48 GPRESSURE: 2415200 106.492 -109.268 27.2251 -117.586 15.1781 -39.1829 129.174 78.6139 159.367 PRESSAVG: 2415200 6.06249 -19.102 0.980859 -19.102 5.88988 38.7201 0.980841 38.7201 14.5114 GPRESSAVG: 2415200 6.07822 -18.2301 2.27732 -20.3715 5.57804 38.4879 2.31315 39.1472 14.9428 TIMING: 2415200 CPU: 7632.8, 0.00318638/step Wall: 7632.8, 0.00318638/step, 2.28782 hours remaining, 237.640625 MB of memory in use. ENERGY: 2415200 3992.0277 20542.2893 14420.7160 248.9598 -203514.5362 2718.8701 0.0000 0.0000 51776.3214 -109815.3520 297.5592 -161591.6735 -109449.1888 298.9934 67.6172 93.6793 759868.4201 8.8213 8.8663 PRESSURE: 2415400 -60.782 240.117 -27.0364 240.118 -124.821 22.4133 -27.0358 22.4133 107.559 GPRESSURE: 2415400 -67.9061 242.843 -95.6531 268.784 57.5318 59.5747 -106.048 89.1531 24.5191 PRESSAVG: 2415400 -54.7304 -9.18842 -1.68592 -9.18843 55.9556 -1.76014 -1.68592 -1.76006 0.796457 GPRESSAVG: 2415400 -53.7124 -9.17331 -2.64572 -10.207 55.8238 -1.73702 -2.5967 -2.59925 -0.468563 TIMING: 2415400 CPU: 7633.44, 0.00318464/step Wall: 7633.44, 0.00318464/step, 2.2864 hours remaining, 237.640625 MB of memory in use. ENERGY: 2415400 3974.0104 20640.9098 14467.5937 239.7389 -203519.3365 2661.2118 0.0000 0.0000 51864.0096 -109671.8622 298.0632 -161535.8718 -109313.5653 298.9276 -26.0149 4.7149 760884.1817 0.6739 0.5476 PRESSURE: 2415600 53.5155 5.3856 8.70816 5.38457 131.436 -59.8722 8.70771 -59.8727 72.0181 GPRESSURE: 2415600 142.429 68.4771 51.3427 20.1084 135.045 14.2356 59.1925 -54.404 78.6956 PRESSAVG: 2415600 -48.6256 -14.8397 21.425 -14.8397 36.6641 32.4873 21.4249 32.4873 3.50603 GPRESSAVG: 2415600 -49.4938 -17.7943 21.0563 -12.0845 37.1512 32.1108 21.324 32.2571 4.54041 TIMING: 2415600 CPU: 7634.08, 0.0031997/step Wall: 7634.08, 0.0031997/step, 2.29703 hours remaining, 237.640625 MB of memory in use. ENERGY: 2415600 4010.3637 20543.2666 14448.5521 266.8088 -203894.0292 2738.0813 0.0000 0.0000 52067.4551 -109819.5017 299.2324 -161886.9568 -109454.4195 298.8880 85.6567 118.7229 759881.2841 -2.8185 -2.6007 PRESSURE: 2415800 134.125 -94.6778 134.525 -94.6778 355.776 83.8755 134.525 83.8755 35.1463 GPRESSURE: 2415800 168.477 -82.0897 120.683 -7.92589 376.648 55.9447 65.6096 135.172 52.9686 PRESSAVG: 2415800 -30.443 -12.3342 29.8058 -12.3342 22.4114 -11.5202 29.806 -11.5202 14.4365 GPRESSAVG: 2415800 -30.3928 -10.6301 28.8242 -11.8587 22.5037 -10.1608 31.0739 -11.7866 14.1505 TIMING: 2415800 CPU: 7634.71, 0.00316267/step Wall: 7634.71, 0.00316267/step, 2.27027 hours remaining, 237.640625 MB of memory in use. ENERGY: 2415800 3935.5428 20605.3305 14403.7717 243.6960 -203437.1695 2565.6168 0.0000 0.0000 51891.8660 -109791.3457 298.2233 -161683.2116 -109443.4611 298.6354 175.0157 199.3646 761031.5756 2.1350 2.0871 PRESSURE: 2416000 -347.328 -151.206 -97.0329 -151.206 -4.95626 128.796 -97.0326 128.795 126.91 GPRESSURE: 2416000 -207.038 -57.6873 -75.5725 -124.213 -35.421 110.795 -100.371 287.043 116.78 PRESSAVG: 2416000 -44.9169 34.6679 6.62452 34.6679 52.8429 29.4421 6.62447 29.4421 16.8188 GPRESSAVG: 2416000 -44.8168 34.7284 8.97677 31.357 51.6349 28.3388 4.78653 30.3051 17.7999 TIMING: 2416000 CPU: 7635.35, 0.0031625/step Wall: 7635.35, 0.0031625/step, 2.26997 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2416000 3943.9668 20468.7863 14366.1421 273.9459 -203072.6956 2378.1758 0.0000 0.0000 51894.8985 -109746.7801 298.2407 -161641.6786 -109388.4098 298.7871 -75.1246 -41.8931 761376.8095 8.2483 8.2060 PRESSURE: 2416200 131.457 195.15 213.16 195.15 3.89088 -136.457 213.161 -136.456 32.7289 GPRESSURE: 2416200 161.616 257.302 183.763 81.9294 30.924 -136.348 157.941 -223.188 86.2975 PRESSAVG: 2416200 -43.5378 -19.0807 4.37507 -19.0806 67.863 -30.1297 4.37515 -30.1298 -7.70299 GPRESSAVG: 2416200 -44.3721 -19.2328 2.30476 -18.9043 68.1466 -32.2752 5.35717 -30.6619 -7.50862 TIMING: 2416200 CPU: 7635.98, 0.00317531/step Wall: 7635.98, 0.00317531/step, 2.27899 hours remaining, 237.640625 MB of memory in use. ENERGY: 2416200 4011.7243 20405.0285 14535.9364 246.0244 -203606.4429 2554.0353 0.0000 0.0000 52099.5642 -109754.1297 299.4169 -161853.6940 -109388.7809 298.4775 56.0256 92.9459 757581.7276 5.5407 5.4220 LDB: ============= START OF LOAD BALANCING ============== 7648.38 LDB: ============== END OF LOAD BALANCING =============== 7648.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7648.39 LDB: ============= START OF LOAD BALANCING ============== 7648.7 LDB: Largest compute 7058 load 0.037650 is 19.2% of average load 0.195999 LDB: Average compute 0.004389 is 2.2% of average load 0.195999 LDB: TIME 7648.71 LOAD: AVG 0.195999 MAX 0.220598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 7648.71 LOAD: AVG 0.195999 MAX 0.220598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 7648.71 LOAD: AVG 0.195999 MAX 0.220598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7648.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7648.71 PRESSURE: 2416400 -437.105 4.71711 -38.7028 4.71659 -139.861 209.492 -38.7026 209.492 63.004 GPRESSURE: 2416400 -396.004 117.584 -62.9276 -23.1409 -57.1999 221.412 95.794 196.796 33.408 PRESSAVG: 2416400 -37.8686 -22.6421 23.472 -22.6421 100.646 34.957 23.472 34.957 0.797414 GPRESSAVG: 2416400 -37.6211 -23.6297 23.4059 -22.7729 101.141 38.1525 23.5563 35.5062 0.0979875 TIMING: 2416400 CPU: 7636.63, 0.003257/step Wall: 7636.63, 0.003257/step, 2.33744 hours remaining, 239.183594 MB of memory in use. ENERGY: 2416400 3933.2734 20270.5284 14377.4412 242.0744 -202825.3922 2086.1299 0.0000 0.0000 51927.0208 -109988.9241 298.4253 -161915.9450 -109628.8484 298.5098 -171.3207 -139.9319 759304.2132 21.1917 21.2061 PRESSURE: 2416600 27.6297 -94.9376 226.175 -94.9383 -35.5031 -81.246 226.175 -81.2455 -428.371 GPRESSURE: 2416600 80.9344 -1.50378 154.571 47.2851 3.65888 -57.909 162.303 -81.0672 -428.275 PRESSAVG: 2416600 -40.0181 17.8972 71.9749 17.8972 41.6542 -29.8664 71.9749 -29.8664 -8.79699 GPRESSAVG: 2416600 -39.4646 18.6817 71.6653 19.4982 41.2207 -31.0817 72.3299 -30.1588 -8.2211 TIMING: 2416600 CPU: 7637.27, 0.00318017/step Wall: 7637.27, 0.00318017/step, 2.28213 hours remaining, 239.183594 MB of memory in use. ENERGY: 2416600 4023.5217 20477.8612 14403.1668 287.0407 -203549.5312 2425.2418 0.0000 0.0000 51918.0908 -110014.6082 298.3740 -161932.6990 -109660.8454 298.2866 -145.4149 -114.5605 760197.0443 -2.3869 -2.1550 PRESSURE: 2416800 58.5746 -20.7287 -172.438 -20.729 -258.481 -3.87979 -172.437 -3.87912 161.71 GPRESSURE: 2416800 95.7252 -37.8822 -222.643 -8.69179 -242.811 40.3244 -124.274 -60.663 203.181 PRESSAVG: 2416800 -7.49147 -12.7582 4.16025 -12.7582 31.1824 -20.5665 4.16031 -20.5664 9.58443 GPRESSAVG: 2416800 -7.40771 -12.625 6.60136 -13.5058 30.7034 -19.2936 3.47186 -24.0291 9.86092 TIMING: 2416800 CPU: 7637.9, 0.00316904/step Wall: 7637.9, 0.00316904/step, 2.27396 hours remaining, 239.183594 MB of memory in use. ENERGY: 2416800 3980.3335 20407.7919 14452.1128 266.1162 -203613.9210 2640.3346 0.0000 0.0000 51831.9819 -110035.2501 297.8791 -161867.2319 -109673.2399 298.1757 -12.7323 18.6982 760227.4304 11.0918 11.0522 PRESSURE: 2417000 -268.556 -61.7217 10.5589 -61.7216 -267.958 -29.0865 10.5588 -29.0868 -43.3136 GPRESSURE: 2417000 -196.302 -10.1865 -24.128 -45.3552 -237.795 13.9879 46.8793 98.9554 -69.8429 PRESSAVG: 2417000 14.5073 -29.225 -21.9149 -29.2249 35.9285 18.8775 -21.915 18.8775 -5.72356 GPRESSAVG: 2417000 14.4043 -27.6841 -22.8292 -28.4211 36.1292 17.6492 -19.262 22.4671 -5.33872 TIMING: 2417000 CPU: 7638.54, 0.00320782/step Wall: 7638.54, 0.00320782/step, 2.30161 hours remaining, 239.183594 MB of memory in use. ENERGY: 2417000 3955.7375 20518.1365 14521.3087 247.9290 -203395.7874 2406.6502 0.0000 0.0000 51841.1961 -109904.8293 297.9321 -161746.0254 -109536.7139 298.2401 -193.2757 -167.9801 761131.2864 14.9041 15.0649 PRESSURE: 2417200 305.272 -40.3636 138.715 -40.3643 25.1511 240.582 138.715 240.582 280.111 GPRESSURE: 2417200 346.429 -39.5949 237.09 -79.1579 26.1805 265.291 80.3919 257.796 291.4 PRESSAVG: 2417200 42.8765 39.1733 -34.9276 39.1733 -23.9493 1.3079 -34.9277 1.30796 5.89851 GPRESSAVG: 2417200 42.0132 37.2845 -35.6658 38.1702 -22.9749 0.87553 -37.6317 0.99173 4.86733 TIMING: 2417200 CPU: 7639.18, 0.00318355/step Wall: 7639.18, 0.00318355/step, 2.28402 hours remaining, 239.183594 MB of memory in use. ENERGY: 2417200 3958.2353 20595.4079 14429.0842 240.7651 -203292.9918 2407.7423 0.0000 0.0000 51874.0682 -109787.6887 298.1210 -161661.7570 -109432.2596 298.3873 203.5114 221.3365 761700.1028 8.2752 7.9685 PRESSURE: 2417400 63.5838 78.9898 42.0503 78.9895 -54.3376 193.251 42.0508 193.25 -385.773 GPRESSURE: 2417400 22.8335 -51.6654 -86.481 12.9289 92.5554 203.804 164.268 157.378 -415.746 PRESSAVG: 2417400 -39.8186 -7.0747 -8.33303 -7.07469 61.5835 -27.5048 -8.33303 -27.5047 -7.67825 GPRESSAVG: 2417400 -39.8173 -8.494 -8.16716 -7.13371 61.2761 -26.7989 -8.80494 -28.3536 -6.88906 TIMING: 2417400 CPU: 7639.82, 0.00318297/step Wall: 7639.82, 0.00318297/step, 2.28343 hours remaining, 239.183594 MB of memory in use. ENERGY: 2417400 3981.0720 20480.8259 14473.9206 240.2197 -203930.4661 2801.2620 0.0000 0.0000 52158.1009 -109795.0649 299.7533 -161953.1658 -109433.8086 299.0482 -125.5090 -100.1191 761683.3561 4.6956 4.8566 PRESSURE: 2417600 -246.868 -87.0369 -98.9201 -87.0371 -2.69037 -6.67852 -98.9205 -6.67796 -334.066 GPRESSURE: 2417600 -307.587 55.8107 -97.2377 -107.58 66.06 -7.19717 -210.759 48.9782 -255.063 PRESSAVG: 2417600 23.3694 -20.9287 35.1271 -20.9288 29.6538 -49.7632 35.1271 -49.7632 -11.2553 GPRESSAVG: 2417600 24.2171 -17.8142 34.6592 -20.7446 29.5824 -49.306 35.1731 -50.1146 -11.7535 TIMING: 2417600 CPU: 7640.46, 0.00319788/step Wall: 7640.46, 0.00319788/step, 2.29394 hours remaining, 239.183594 MB of memory in use. ENERGY: 2417600 4009.6041 20553.5764 14377.1252 239.8393 -203439.0902 2386.2710 0.0000 0.0000 52082.2693 -109790.4050 299.3175 -161872.6743 -109437.0658 298.6570 -194.5416 -165.5300 760676.0354 13.9227 14.0154 PRESSURE: 2417800 -8.15681 -141.12 -71.3442 -141.12 119.543 72.1179 -71.3434 72.1162 -73.5383 GPRESSURE: 2417800 130.83 -150.546 -36.4387 -125.938 31.0062 85.3115 -107.155 57.9067 -30.0181 PRESSAVG: 2417800 -36.6625 -19.1136 35.105 -19.1136 63.616 -6.96726 35.1051 -6.96722 8.59476 GPRESSAVG: 2417800 -36.1972 -20.4287 37.1573 -19.0318 63.7572 -7.02019 34.943 -6.96617 8.26748 TIMING: 2417800 CPU: 7641.1, 0.00320174/step Wall: 7641.1, 0.00320173/step, 2.29653 hours remaining, 239.183594 MB of memory in use. ENERGY: 2417800 3910.7375 20442.9816 14473.0990 238.8380 -203064.7478 2490.4302 0.0000 0.0000 51852.8764 -109655.7853 297.9992 -161508.6617 -109294.0710 298.3528 12.6160 43.9395 763003.1098 11.8494 11.9425 PRESSURE: 2418000 188.942 -88.9778 185.06 -88.9785 10.477 145.894 185.06 145.894 -170.547 GPRESSURE: 2418000 290.772 -267.038 203.256 -53.0054 21.8644 204.127 268.249 7.58384 -197.974 PRESSAVG: 2418000 -48.7461 -18.0177 3.52749 -18.0177 -2.32099 -0.230881 3.52751 -0.230864 10.6113 GPRESSAVG: 2418000 -48.8109 -18.2256 3.00215 -16.5365 -2.80393 0.189359 3.7596 -0.903098 10.8606 TIMING: 2418000 CPU: 7641.74, 0.00319814/step Wall: 7641.74, 0.00319814/step, 2.29378 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2418000 4001.7817 20657.1960 14391.0166 243.5171 -203618.2074 2757.9366 0.0000 0.0000 51751.3147 -109815.4448 297.4155 -161566.7594 -109457.7252 298.4615 9.6239 38.2208 761434.1640 -13.4852 -13.5848 PRESSURE: 2418200 202.47 -165.472 93.7547 -165.471 -0.953202 -30.7002 93.7553 -30.7 57.9856 GPRESSURE: 2418200 259.671 -65.867 31.696 -186.272 33.5309 18.9545 20.9565 -40.6314 45.9281 PRESSAVG: 2418200 -56.9151 -30.8282 12.3319 -30.8282 38.2378 8.65585 12.3319 8.65594 -1.62129 GPRESSAVG: 2418200 -57.4046 -29.687 11.4076 -30.8203 37.9403 6.7938 14.0055 9.43572 -1.02893 TIMING: 2418200 CPU: 7642.38, 0.00320754/step Wall: 7642.38, 0.00320754/step, 2.30034 hours remaining, 239.183594 MB of memory in use. ENERGY: 2418200 3907.9760 20382.5704 14427.7882 224.8002 -203587.6354 2798.5553 0.0000 0.0000 51849.5442 -109996.4011 297.9800 -161845.9453 -109635.5588 298.7767 86.5008 113.0435 760659.1780 -6.7662 -6.8311 PRESSURE: 2418400 -219.696 3.18526 108.505 3.18534 -43.8874 11.146 108.505 11.1461 -409.679 GPRESSURE: 2418400 -155.277 -7.00179 109.579 -46.3168 -83.3958 11.7794 -36.7962 -81.8999 -355.65 PRESSAVG: 2418400 -17.6011 -25.2831 19.0901 -25.2831 16.2899 8.08036 19.09 8.08034 2.74349 GPRESSAVG: 2418400 -16.3062 -26.7205 19.349 -24.9528 15.4656 10.0172 18.3784 10.232 2.53749 TIMING: 2418400 CPU: 7643.02, 0.00318639/step Wall: 7643.02, 0.00318639/step, 2.285 hours remaining, 239.183594 MB of memory in use. ENERGY: 2418400 4002.4643 20613.6687 14447.9116 241.8693 -203801.3506 2757.4670 0.0000 0.0000 51703.0438 -110034.9259 297.1381 -161737.9697 -109691.0074 298.2866 -224.4207 -198.1077 761447.9827 0.4774 0.5656 PRESSURE: 2418600 350.782 -99.1097 154.356 -99.1101 167.462 189.022 154.356 189.023 85.651 GPRESSURE: 2418600 417.212 -130.788 71.7711 -212.457 135.685 251.207 255.22 50.3925 124.906 PRESSAVG: 2418600 -17.8595 -80.1637 13.6708 -80.1636 52.0533 59.2461 13.6708 59.246 -7.73347 GPRESSAVG: 2418600 -17.4472 -80.8782 13.7653 -79.7574 52.3479 59.4472 14.791 57.9038 -8.412 TIMING: 2418600 CPU: 7643.65, 0.00317926/step Wall: 7643.65, 0.00317926/step, 2.2797 hours remaining, 239.183594 MB of memory in use. ENERGY: 2418600 3951.2530 20497.4375 14409.2237 242.3001 -203830.7043 2819.1813 0.0000 0.0000 51978.5249 -109932.7839 298.7213 -161911.3088 -109562.3230 298.3868 201.2983 225.9343 761013.7306 8.8201 8.8296 PRESSURE: 2418800 121.167 -54.4425 -127.596 -54.443 45.1855 75.8442 -127.597 75.8448 -72.9159 GPRESSURE: 2418800 142.028 2.37937 -119.004 -61.1284 143.707 13.4855 -125.69 -41.9336 -116.512 PRESSAVG: 2418800 -58.5214 -47.6854 26.3721 -47.6855 58.5868 16.941 26.3721 16.941 -18.1064 GPRESSAVG: 2418800 -60.0411 -46.8384 25.4775 -47.6314 60.6451 16.3291 25.3501 15.7258 -18.4015 TIMING: 2418800 CPU: 7644.29, 0.00317055/step Wall: 7644.29, 0.00317055/step, 2.27328 hours remaining, 239.183594 MB of memory in use. ENERGY: 2418800 4071.7213 20551.6719 14458.3677 242.4353 -203862.6602 2894.6394 0.0000 0.0000 51840.6183 -109803.2063 297.9287 -161643.8246 -109451.0124 298.4940 31.1454 56.4075 760306.2249 -6.0137 -5.9325 PRESSURE: 2419000 231.717 5.9417 3.68292 5.94127 -21.6814 -83.4203 3.68337 -83.4185 -38.0544 GPRESSURE: 2419000 139.178 -4.17372 96.8228 -33.5214 166.956 -62.6721 -62.1229 50.6849 -29.3439 PRESSAVG: 2419000 -13.0186 -10.66 19.7822 -10.6601 58.6159 -30.6026 19.7823 -30.6025 0.799864 GPRESSAVG: 2419000 -12.2729 -10.2421 22.2569 -12.1452 58.3858 -30.2186 18.753 -28.6883 0.191833 TIMING: 2419000 CPU: 7644.93, 0.00320534/step Wall: 7644.93, 0.00320534/step, 2.29805 hours remaining, 239.183594 MB of memory in use. ENERGY: 2419000 3971.9572 20401.4603 14381.6085 238.3247 -203478.6984 2525.1740 0.0000 0.0000 52098.8897 -109861.2841 299.4130 -161960.1738 -109490.9039 298.5335 57.3271 92.2632 759889.5512 15.4657 15.4349 PRESSURE: 2419200 -369.806 -79.1978 -34.5925 -79.1972 -98.7626 -76.1295 -34.5931 -76.1299 54.4823 GPRESSURE: 2419200 -293.459 -146.014 64.6163 -62.8963 -97.2296 -91.8034 109.289 96.1305 59.9367 PRESSAVG: 2419200 -67.023 -23.8686 -11.2136 -23.8686 40.0643 58.5261 -11.2137 58.5262 -0.52848 GPRESSAVG: 2419200 -67.6688 -24.541 -13.5833 -22.187 40.2657 56.4819 -9.08436 59.7081 -0.0819753 TIMING: 2419200 CPU: 7645.56, 0.00317929/step Wall: 7645.56, 0.00317929/step, 2.2792 hours remaining, 239.183594 MB of memory in use. ENERGY: 2419200 3968.7393 20484.4558 14475.5949 248.8218 -203337.9874 2467.5085 0.0000 0.0000 52154.3085 -109538.5586 299.7315 -161692.8672 -109166.1196 299.0188 -138.0287 -110.2506 760859.6891 -9.1624 -9.1617 PRESSURE: 2419400 68.3309 -60.38 207.78 -60.3796 -97.9734 17.7902 207.778 17.7912 290.63 GPRESSURE: 2419400 69.7549 62.7014 207.843 74.5599 -92.2098 12.8817 146.924 209.709 339.895 PRESSAVG: 2419400 -11.1563 -44.807 23.6118 -44.807 37.9917 41.1815 23.6117 41.1815 6.82313 GPRESSAVG: 2419400 -11.7679 -42.4406 24.2347 -45.0199 37.7683 44.3639 23.3912 41.4576 7.67529 TIMING: 2419400 CPU: 7646.2, 0.00317636/step Wall: 7646.2, 0.00317636/step, 2.27692 hours remaining, 239.183594 MB of memory in use. ENERGY: 2419400 3980.8895 20607.1689 14470.2320 241.8963 -203335.1798 2510.2165 0.0000 0.0000 51918.4450 -109606.3316 298.3760 -161524.7766 -109242.1093 299.1087 86.9960 105.8134 760205.3895 11.2195 11.2252 PRESSURE: 2419600 -128.387 71.7141 -49.1093 71.7142 -146.021 -1.91057 -49.1095 -1.91079 51.5042 GPRESSURE: 2419600 -36.1949 -45.2522 -93.5623 -34.5249 -219.263 -88.1867 45.9056 -139.053 90.6989 PRESSAVG: 2419600 -38.5051 -47.2236 4.73174 -47.2236 26.5901 -31.4021 4.73177 -31.4021 -19.4946 GPRESSAVG: 2419600 -36.8204 -47.4195 3.59474 -49.0068 25.8753 -33.7145 2.62397 -34.0858 -20.5164 TIMING: 2419600 CPU: 7646.83, 0.00316468/step Wall: 7646.83, 0.00316468/step, 2.26837 hours remaining, 239.183594 MB of memory in use. ENERGY: 2419600 3990.9923 20623.9829 14422.9335 248.5123 -203686.9870 2721.4361 0.0000 0.0000 52176.1158 -109503.0140 299.8569 -161679.1299 -109137.0789 299.3636 -74.3012 -54.9196 760542.9982 -10.4699 -10.4872 PRESSURE: 2419800 -197.788 41.1781 104.236 41.1774 203.716 111.447 104.236 111.446 -50.3767 GPRESSURE: 2419800 -87.5066 -59.2226 198.31 29.2176 114.748 88.6201 82.738 98.6839 2.55723 PRESSAVG: 2419800 21.454 37.1426 31.878 37.1425 -49.0327 -5.93104 31.878 -5.93099 5.13992 GPRESSAVG: 2419800 21.047 34.3089 33.1392 39.357 -49.2213 -5.19952 34.0649 -6.64467 5.53714 TIMING: 2419800 CPU: 7647.46, 0.00315667/step Wall: 7647.46, 0.00315667/step, 2.26246 hours remaining, 239.183594 MB of memory in use. ENERGY: 2419800 4011.5102 20468.7933 14408.4429 243.8033 -203662.2546 2703.6224 0.0000 0.0000 52025.6787 -109800.4038 298.9923 -161826.0825 -109432.8149 299.3254 -14.8163 9.9330 760357.4213 -7.4796 -7.5457 PRESSURE: 2420000 -185.121 -36.1848 -68.2778 -36.1847 -56.7652 137.75 -68.2791 137.75 113.148 GPRESSURE: 2420000 -56.424 -145.577 -32.2425 76.4786 -8.60614 200.983 32.0115 40.7864 32.6945 PRESSAVG: 2420000 -5.54148 4.46048 1.15919 4.46051 -6.90624 -48.7172 1.15925 -48.7173 24.5054 GPRESSAVG: 2420000 -5.75631 6.54422 0.492787 4.90592 -5.74942 -48.9899 1.05561 -48.3617 24.1439 TIMING: 2420000 CPU: 7648.1, 0.00317443/step Wall: 7648.1, 0.00317443/step, 2.27501 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2420000 3952.0204 20594.8221 14364.4958 229.5774 -203186.8725 2450.5960 0.0000 0.0000 51872.4298 -109722.9310 298.1116 -161595.3609 -109364.2660 298.6477 -42.9126 -10.7786 762021.1897 4.0192 4.2127 PRESSURE: 2420200 -72.3034 63.345 -144.869 63.3447 -327.434 -170.735 -144.868 -170.736 -235.744 GPRESSURE: 2420200 -46.4881 137.046 -178.186 155.132 -309.953 -163.316 -179.3 -60.0887 -195.936 PRESSAVG: 2420200 62.9944 16.027 -12.1383 16.027 -61.8083 -51.1385 -12.1384 -51.1385 -31.1146 GPRESSAVG: 2420200 63.1006 14.9344 -12.8506 18.4326 -61.6443 -50.2381 -11.84 -51.0563 -30.6682 TIMING: 2420200 CPU: 7648.73, 0.00316939/step Wall: 7648.73, 0.00316939/step, 2.27122 hours remaining, 239.183594 MB of memory in use. ENERGY: 2420200 4099.2067 20500.9179 14452.1213 248.4699 -203047.6276 2477.2014 0.0000 0.0000 51717.7738 -109551.9366 297.2228 -161269.7104 -109186.5262 299.0833 -211.8274 -184.1257 762494.2400 -9.9762 -9.7373 LDB: ============= START OF LOAD BALANCING ============== 7661.13 LDB: ============== END OF LOAD BALANCING =============== 7661.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7661.13 LDB: ============= START OF LOAD BALANCING ============== 7661.45 LDB: Largest compute 7058 load 0.036148 is 18.4% of average load 0.196054 LDB: Average compute 0.004385 is 2.2% of average load 0.196054 LDB: TIME 7661.46 LOAD: AVG 0.196054 MAX 0.21893 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 7661.46 LOAD: AVG 0.196054 MAX 0.21893 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 7661.46 LOAD: AVG 0.196054 MAX 0.21893 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7661.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7661.46 PRESSURE: 2420400 -147.324 59.9304 288.713 59.9305 219.643 -62.5151 288.713 -62.514 830.927 GPRESSURE: 2420400 -119.037 36.2663 217.955 6.01303 322.4 -32.6982 275.679 17.5023 792.047 PRESSAVG: 2420400 33.3003 45.6556 -22.7763 45.6556 -43.1708 -34.8117 -22.7763 -34.8116 17.8637 GPRESSAVG: 2420400 32.2755 46.2429 -20.3534 44.0384 -42.9513 -37.3249 -23.5801 -32.4885 17.9341 TIMING: 2420400 CPU: 7649.38, 0.00325391/step Wall: 7649.38, 0.00325391/step, 2.33161 hours remaining, 237.898438 MB of memory in use. ENERGY: 2420400 3939.8751 20456.3527 14426.2159 242.3218 -203486.2798 2570.6153 0.0000 0.0000 52335.9656 -109514.9333 300.7755 -161850.8989 -109146.9695 299.0813 301.0819 331.8036 760393.3033 2.6644 2.4194 PRESSURE: 2420600 -3.14365 -24.2808 -75.4692 -24.2808 -14.8495 -235.76 -75.47 -235.761 77.4801 GPRESSURE: 2420600 18.9521 44.6363 -19.2089 11.8677 31.0484 -198.57 -35.3821 -293.57 83.3791 PRESSAVG: 2420600 18.3649 14.4614 -30.9328 14.4615 -2.34124 -90.9373 -30.9328 -90.9374 22.2287 GPRESSAVG: 2420600 19.5093 13.587 -30.9231 12.7304 -3.42856 -88.3099 -32.1011 -91.8014 22.1642 TIMING: 2420600 CPU: 7650.02, 0.00317335/step Wall: 7650.02, 0.00317335/step, 2.27371 hours remaining, 237.898438 MB of memory in use. ENERGY: 2420600 3956.1013 20650.0368 14474.8511 260.1379 -203697.3640 2650.3888 0.0000 0.0000 52177.8978 -109527.9503 299.8671 -161705.8481 -109155.0897 299.7393 19.8290 44.4599 760697.2918 12.7508 12.7483 PRESSURE: 2420800 -53.6398 -18.4924 95.6178 -18.4924 -16.8922 115.637 95.6163 115.637 163.701 GPRESSURE: 2420800 -12.7655 2.02813 -10.7626 -65.6358 51.5687 157.401 130.163 122.334 133.918 PRESSAVG: 2420800 80.9806 20.1104 14.7185 20.1104 -29.3312 -74.2087 14.7185 -74.2088 14.8663 GPRESSAVG: 2420800 81.7503 21.9106 13.6235 18.683 -29.5349 -75.7664 17.4492 -73.0524 14.6286 TIMING: 2420800 CPU: 7650.65, 0.00316159/step Wall: 7650.65, 0.00316159/step, 2.26511 hours remaining, 237.898438 MB of memory in use. ENERGY: 2420800 3962.1034 20625.8296 14424.2247 245.2602 -203558.9309 2398.9016 0.0000 0.0000 52130.0134 -109772.5981 299.5919 -161902.6115 -109400.1707 299.2770 31.0562 57.5736 760021.7315 22.1719 22.2813 PRESSURE: 2421000 39.9641 -360.715 114.307 -360.714 -112.531 -43.7126 114.308 -43.7118 -51.0999 GPRESSURE: 2421000 55.6988 -302.961 141.658 -312.944 -61.6437 -105.657 65.5377 -133.782 -47.8678 PRESSAVG: 2421000 7.61119 4.8231 -5.15199 4.82314 -6.6012 -68.427 -5.15191 -68.427 35.4693 GPRESSAVG: 2421000 7.54359 3.98473 -6.0319 6.31586 -6.8053 -66.6044 -7.18104 -72.4695 36.0232 TIMING: 2421000 CPU: 7651.28, 0.00316557/step Wall: 7651.28, 0.00316557/step, 2.26778 hours remaining, 237.898438 MB of memory in use. ENERGY: 2421000 3930.2509 20512.1808 14472.4240 241.2426 -203858.5043 2569.9086 0.0000 0.0000 52384.2138 -109748.2837 301.0528 -162132.4974 -109374.9798 299.0771 -41.2223 -17.9376 760373.3981 12.1598 12.2538 PRESSURE: 2421200 -336.837 317.727 -212.987 317.726 -451.109 159.06 -212.987 159.06 -47.9078 GPRESSURE: 2421200 -167.622 379.358 -215.224 301.365 -451.733 200.254 -175.656 102.979 -136.901 PRESSAVG: 2421200 -8.45261 -6.88661 17.6495 -6.88661 -19.7312 -18.3143 17.6495 -18.3143 -1.31001 GPRESSAVG: 2421200 -7.82858 -7.42942 17.5491 -6.47678 -19.4612 -17.8435 18.8844 -15.8787 -2.25972 TIMING: 2421200 CPU: 7651.91, 0.00316258/step Wall: 7651.91, 0.00316258/step, 2.26546 hours remaining, 237.898438 MB of memory in use. ENERGY: 2421200 4011.4920 20548.0907 14427.4220 237.8425 -203324.8294 2271.9895 0.0000 0.0000 51965.4899 -109862.5028 298.6464 -161827.9927 -109501.5565 298.6306 -278.6179 -252.0853 762610.1956 -9.8313 -9.8498 PRESSURE: 2421400 -27.9831 -82.4011 273.142 -82.4016 -485.883 -256.601 273.141 -256.601 176.818 GPRESSURE: 2421400 -33.5147 -96.6043 237.854 -6.95902 -370.551 -209.059 266.339 -303.122 143.509 PRESSAVG: 2421400 60.3835 7.04901 15.004 7.04902 -49.3793 -30.6397 15.0041 -30.6397 -5.96667 GPRESSAVG: 2421400 59.3876 6.81273 16.4119 7.53938 -49.1962 -32.0857 11.6749 -30.3874 -5.63962 TIMING: 2421400 CPU: 7652.55, 0.0031856/step Wall: 7652.55, 0.0031856/step, 2.28177 hours remaining, 237.898438 MB of memory in use. ENERGY: 2421400 4042.7376 20658.5254 14388.6809 257.9667 -203436.9058 2624.5256 0.0000 0.0000 51851.4206 -109613.0491 297.9908 -161464.4697 -109266.5137 298.7894 -112.3492 -86.8523 762496.9842 1.6792 1.5173 PRESSURE: 2421600 380.663 43.3209 44.2692 43.3209 -13.1075 158.479 44.2689 158.48 396.616 GPRESSURE: 2421600 429.444 -0.471562 104.794 -95.8936 -5.41094 185.478 2.51463 155.193 421.621 PRESSAVG: 2421600 45.2424 0.83297 35.8689 0.832908 42.4941 -37.297 35.8689 -37.297 0.268061 GPRESSAVG: 2421600 44.5403 2.81965 36.2596 1.04741 42.1262 -37.639 39.3855 -37.2641 1.50377 TIMING: 2421600 CPU: 7653.19, 0.00316959/step Wall: 7653.19, 0.00316959/step, 2.27013 hours remaining, 237.898438 MB of memory in use. ENERGY: 2421600 4061.9649 20467.9253 14478.9120 234.4044 -203971.1972 2951.5715 0.0000 0.0000 52062.2245 -109714.1945 299.2023 -161776.4190 -109360.9017 298.9153 254.7239 281.8847 760667.2427 29.3349 29.3901 PRESSURE: 2421800 -114.42 138.018 -98.5843 138.017 -70.8957 138.561 -98.5851 138.563 193.79 GPRESSURE: 2421800 -61.4968 80.6443 -81.5213 92.2591 -116.432 196.821 41.0399 33.8285 268.625 PRESSAVG: 2421800 30.6779 -25.1313 5.96772 -25.1312 -83.7895 -4.39148 5.9677 -4.39136 5.60343 GPRESSAVG: 2421800 31.5114 -25.9898 5.58955 -25.7816 -83.7203 -3.9445 5.84612 -4.06354 4.53887 TIMING: 2421800 CPU: 7653.82, 0.00317386/step Wall: 7653.82, 0.00317386/step, 2.27301 hours remaining, 237.898438 MB of memory in use. ENERGY: 2421800 4032.6337 20678.7969 14428.2468 259.6252 -203629.9849 2505.7255 0.0000 0.0000 52083.7608 -109641.1961 299.3261 -161724.9569 -109272.4916 298.7989 2.8246 30.2320 762277.1218 -15.8361 -15.8900 PRESSURE: 2422000 -289.794 -113.854 210.13 -113.854 -337.388 -147.106 210.129 -147.105 -261.769 GPRESSURE: 2422000 -305.903 -33.1946 275.126 -48.5311 -169.766 -60.2051 195.93 -221.193 -303.286 PRESSAVG: 2422000 0.416743 0.0438041 30.1328 0.0438182 6.22495 30.8263 30.1328 30.8263 -13.6961 GPRESSAVG: 2422000 -0.619579 -1.87769 30.2892 -0.901188 6.75543 30.9475 30.2196 31.0553 -13.8139 TIMING: 2422000 CPU: 7654.46, 0.00317886/step Wall: 7654.46, 0.00317886/step, 2.27641 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2422000 4011.5879 20689.6011 14465.2506 254.1469 -203150.9640 1963.9533 0.0000 0.0000 52050.4935 -109715.9307 299.1349 -161766.4241 -109346.0360 298.6456 -296.3172 -259.6518 760108.0634 -2.3515 -2.5594 PRESSURE: 2422200 34.7577 -94.9165 -50.0518 -94.9156 33.5554 -76.2501 -50.0521 -76.2495 107.863 GPRESSURE: 2422200 141.087 -8.78908 -85.5949 -168.11 -2.43315 -82.254 -131.545 -151.594 119.317 PRESSAVG: 2422200 62.1611 -19.8214 -13.5012 -19.8215 -23.6648 -25.2667 -13.5012 -25.2667 20.2417 GPRESSAVG: 2422200 63.4254 -19.8769 -15.2006 -17.3637 -25.4578 -24.9413 -12.4868 -26.2057 20.2605 TIMING: 2422200 CPU: 7655.09, 0.00316351/step Wall: 7655.09, 0.00316351/step, 2.26525 hours remaining, 237.898438 MB of memory in use. ENERGY: 2422200 3920.6225 20559.1203 14443.0848 228.7135 -203403.4184 2420.4510 0.0000 0.0000 52166.4146 -109665.0117 299.8011 -161831.4263 -109303.3010 299.1262 58.7252 85.9902 759176.9078 19.5793 19.4094 PRESSURE: 2422400 49.6677 -110.727 -94.6469 -110.728 91.6874 53.1963 -94.6466 53.1961 -98.5877 GPRESSURE: 2422400 101.037 -146.072 35.2787 -64.7358 151.672 102.131 6.02679 -129.769 -130.282 PRESSAVG: 2422400 -3.91744 -23.5463 -37.9808 -23.5464 -2.35072 -65.1367 -37.9808 -65.1367 15.4325 GPRESSAVG: 2422400 -3.68353 -21.7506 -35.7947 -23.3569 -1.99856 -65.3427 -41.5661 -65.3266 15.1463 TIMING: 2422400 CPU: 7655.72, 0.00317324/step Wall: 7655.72, 0.00317324/step, 2.27204 hours remaining, 237.898438 MB of memory in use. ENERGY: 2422400 3982.3918 20600.0967 14496.4657 246.8451 -203830.1945 2930.0451 0.0000 0.0000 51885.9640 -109688.3860 298.1893 -161574.3500 -109334.2738 299.0698 14.2558 40.8088 759899.9288 3.0548 3.1547 PRESSURE: 2422600 -94.5153 30.9565 98.6383 30.9572 -455.92 133.936 98.6379 133.936 -450.386 GPRESSURE: 2422600 -54.7524 -2.31392 143.656 0.124683 -409.798 51.0744 36.2106 84.2541 -447.163 PRESSAVG: 2422600 6.91138 -39.2808 -27.8191 -39.2808 0.253518 -30.5927 -27.8191 -30.5928 4.61383 GPRESSAVG: 2422600 7.51337 -41.4816 -30.5072 -39.961 -0.438594 -30.2981 -25.0318 -29.1963 4.68183 TIMING: 2422600 CPU: 7656.36, 0.00318318/step Wall: 7656.36, 0.00318318/step, 2.27898 hours remaining, 237.898438 MB of memory in use. ENERGY: 2422600 3986.7170 20368.1394 14486.8628 256.1721 -202745.3829 2070.2766 0.0000 0.0000 51923.1814 -109654.0336 298.4032 -161577.2150 -109288.6641 298.4108 -333.6068 -303.9045 763002.6865 3.9262 3.9189 PRESSURE: 2422800 -36.1007 84.8679 83.3661 84.8675 -105.401 105.317 83.3662 105.317 -141.753 GPRESSURE: 2422800 -80.0784 29.4734 140.19 94.1199 -89.108 75.1724 116.362 103.076 -53.4539 PRESSAVG: 2422800 71.9964 49.6656 17.9283 49.6656 -87.291 -33.0866 17.9283 -33.0866 -6.28733 GPRESSAVG: 2422800 70.1699 50.6886 20.8872 50.2002 -86.8725 -32.6064 17.1523 -35.52 -5.16715 TIMING: 2422800 CPU: 7656.99, 0.00316481/step Wall: 7656.99, 0.00316481/step, 2.26565 hours remaining, 237.898438 MB of memory in use. ENERGY: 2422800 3990.5404 20626.8591 14454.3368 247.9494 -203851.8048 2892.2631 0.0000 0.0000 52054.8879 -109584.9681 299.1602 -161639.8561 -109225.9127 298.2261 -94.4182 -74.2134 762571.9603 -7.1940 -7.2899 PRESSURE: 2423000 -394.629 34.7525 39.6216 34.752 5.59959 -399.18 39.6213 -399.18 -521.998 GPRESSURE: 2423000 -299.629 13.7494 125.287 65.4377 39.3999 -301.674 12.605 -404.364 -561.638 PRESSAVG: 2423000 -12.2552 -48.5972 -8.53031 -48.5972 8.95038 -32.4849 -8.53025 -32.4849 3.93597 GPRESSAVG: 2423000 -11.1675 -47.636 -9.49207 -47.074 9.49976 -32.1084 -7.73335 -30.4481 2.65286 TIMING: 2423000 CPU: 7657.63, 0.00321011/step Wall: 7657.63, 0.00321011/step, 2.2979 hours remaining, 237.898438 MB of memory in use. ENERGY: 2423000 3976.4317 20613.8590 14547.7804 261.0024 -203443.7943 2573.3424 0.0000 0.0000 52039.5995 -109431.7789 299.0723 -161471.3784 -109070.4103 298.9329 -303.6757 -273.9559 762867.1369 0.2104 0.3284 PRESSURE: 2423200 -63.024 210.002 49.0174 210.002 -152.92 -8.336 49.0171 -8.33578 -310.272 GPRESSURE: 2423200 -20.4665 149.409 8.33361 219.295 -94.5899 6.87013 -30.7182 12.3063 -322.119 PRESSAVG: 2423200 39.079 31.3451 -25.7381 31.3451 -35.4885 -48.0375 -25.7381 -48.0375 5.13417 GPRESSAVG: 2423200 38.2067 32.5957 -24.4373 28.1409 -36.1889 -48.2858 -27.9734 -49.7297 6.66339 TIMING: 2423200 CPU: 7658.27, 0.0031862/step Wall: 7658.27, 0.0031862/step, 2.28061 hours remaining, 237.898438 MB of memory in use. ENERGY: 2423200 3975.2023 20672.3770 14463.4769 235.6515 -203134.5110 2519.4511 0.0000 0.0000 51729.9720 -109538.3801 297.2929 -161268.3521 -109181.3775 298.8815 -175.4055 -145.7252 761170.9272 2.9082 2.8937 PRESSURE: 2423400 76.972 137.388 -81.7257 137.388 -13.7318 121.393 -81.7251 121.394 102.036 GPRESSURE: 2423400 55.5886 92.449 -22.0708 96.8227 49.082 37.3724 -83.2617 158.056 153.384 PRESSAVG: 2423400 -12.6 -34.3422 24.9729 -34.3423 16.1993 -19.4847 24.9729 -19.4847 -4.47221 GPRESSAVG: 2423400 -12.6752 -37.7444 23.5767 -34.043 17.1123 -20.3972 25.828 -16.0995 -5.53791 TIMING: 2423400 CPU: 7658.91, 0.00319606/step Wall: 7658.91, 0.00319606/step, 2.28749 hours remaining, 237.898438 MB of memory in use. ENERGY: 2423400 3971.5315 20578.4926 14489.2525 247.6741 -203268.2659 2522.2966 0.0000 0.0000 51972.4685 -109486.5501 298.6865 -161459.0186 -109128.0943 298.5814 55.0920 86.0182 761701.4809 -0.2909 -0.3669 PRESSURE: 2423600 164.956 -29.7248 40.207 -29.7245 185.16 -77.7132 40.2066 -77.7131 153.689 GPRESSURE: 2423600 270.108 16.5218 9.28087 4.362 205.416 -78.6199 115.1 -39.9679 100.326 PRESSAVG: 2423600 -9.07947 19.2471 -23.8619 19.2472 -17.7119 -8.19656 -23.862 -8.19658 -2.97764 GPRESSAVG: 2423600 -9.56787 19.5651 -21.9972 18.0522 -18.081 -10.3553 -23.9273 -8.61954 -1.67154 TIMING: 2423600 CPU: 7659.55, 0.00317447/step Wall: 7659.55, 0.00317447/step, 2.27186 hours remaining, 237.898438 MB of memory in use. ENERGY: 2423600 3920.0564 20649.6472 14480.6685 262.1220 -203272.5248 2476.1588 0.0000 0.0000 52274.8962 -109208.9757 300.4245 -161483.8719 -108840.3015 299.1558 167.9348 191.9499 762474.4536 -9.9230 -9.7735 PRESSURE: 2423800 36.0692 49.8674 -75.5413 49.8675 -387.569 -37.862 -75.5406 -37.8628 -109.63 GPRESSURE: 2423800 5.18347 39.1822 -157.916 87.4028 -368.267 5.95082 18.0587 -37.296 -0.125044 PRESSAVG: 2423800 27.5591 60.507 -49.6276 60.507 -5.94358 -26.8641 -49.6276 -26.8642 16.4284 GPRESSAVG: 2423800 28.6113 61.2996 -50.0347 61.2798 -5.63351 -23.593 -49.1234 -30.4501 14.7989 TIMING: 2423800 CPU: 7660.18, 0.00318265/step Wall: 7660.18, 0.00318265/step, 2.27754 hours remaining, 237.898438 MB of memory in use. ENERGY: 2423800 4026.1552 20477.2853 14468.3657 243.8358 -202712.6733 2089.3892 0.0000 0.0000 52062.7965 -109344.8457 299.2056 -161407.6422 -108981.8082 299.6169 -153.7100 -121.0694 763714.7377 12.6813 12.5922 PRESSURE: 2424000 -90.6421 -221.004 -106.823 -221.003 -47.5535 -320.612 -106.823 -320.612 171.854 GPRESSURE: 2424000 -25.8533 -203.01 -106.202 -186.062 -60.1063 -344.142 -121.46 -326.179 228.495 PRESSAVG: 2424000 -0.214766 -7.9077 -34.9273 -7.90766 23.3879 -11.1452 -34.9274 -11.1451 8.00778 GPRESSAVG: 2424000 0.160279 -7.80152 -35.9549 -6.64982 23.8049 -11.539 -35.4262 -9.17018 7.59184 TIMING: 2424000 CPU: 7660.82, 0.00317964/step Wall: 7660.82, 0.00317964/step, 2.27521 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2424000 4053.0705 20546.0133 14489.7248 256.5927 -203503.6078 2782.5388 0.0000 0.0000 52227.2359 -109148.4319 300.1506 -161375.6678 -108791.8203 299.3103 11.2194 47.5117 761571.7379 10.3936 10.5190 PRESSURE: 2424200 -311.765 -117.693 55.7306 -117.693 -462.823 127.241 55.7307 127.241 -28.3987 GPRESSURE: 2424200 -333.915 -88.8203 77.6107 -80.9827 -337.474 141.172 29.1662 150 -52.1986 PRESSAVG: 2424200 -1.30869 -18.2775 8.52639 -18.2775 8.67655 -52.9969 8.52637 -52.9969 3.93308 GPRESSAVG: 2424200 -1.77111 -17.8426 7.30424 -18.837 8.11336 -53.9079 10.3688 -51.2903 5.34633 TIMING: 2424200 CPU: 7661.46, 0.0032185/step Wall: 7661.46, 0.0032185/step, 2.30283 hours remaining, 237.898438 MB of memory in use. ENERGY: 2424200 3931.2382 20557.1518 14479.9437 238.9704 -202646.9584 2123.7783 0.0000 0.0000 52017.6517 -109298.2244 298.9462 -161315.8761 -108926.8931 299.5992 -267.6623 -241.1959 763815.6073 3.7670 3.8962 LDB: ============= START OF LOAD BALANCING ============== 7673.87 LDB: ============== END OF LOAD BALANCING =============== 7673.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7673.87 LDB: ============= START OF LOAD BALANCING ============== 7674.19 LDB: Largest compute 7025 load 0.033354 is 17.0% of average load 0.195931 LDB: Average compute 0.004375 is 2.2% of average load 0.195931 LDB: TIME 7674.19 LOAD: AVG 0.195931 MAX 0.221047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 7674.19 LOAD: AVG 0.195931 MAX 0.221047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.645 MB LDB: TIME 7674.19 LOAD: AVG 0.195931 MAX 0.221047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.645 MB LDB: ============== END OF LOAD BALANCING =============== 7674.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7674.2 PRESSURE: 2424400 336.547 -27.7884 145.849 -27.7874 46.8933 -6.03944 145.85 -6.04014 -192.587 GPRESSURE: 2424400 313.474 -26.4674 250.76 17.9166 59.7998 -19.8395 239.735 148.947 -116.425 PRESSAVG: 2424400 -0.663148 25.6506 48.4251 25.6505 -17.231 -25.3885 48.4251 -25.3885 3.52632 GPRESSAVG: 2424400 -1.78702 23.9383 48.7962 25.6817 -17.0682 -24.3303 47.9527 -24.4034 4.1335 TIMING: 2424400 CPU: 7662.12, 0.00326439/step Wall: 7662.12, 0.00326439/step, 2.33549 hours remaining, 237.843750 MB of memory in use. ENERGY: 2424400 3915.2391 20671.1776 14614.7047 250.7837 -203434.6123 2599.9598 0.0000 0.0000 51916.4812 -109466.2663 298.3647 -161382.7474 -109113.4593 299.1904 63.6179 85.6160 762160.8762 -4.7893 -4.9073 PRESSURE: 2424600 98.7054 3.09186 -11.1842 3.09153 -53.6756 -57.7118 -11.1834 -57.7117 -75.8091 GPRESSURE: 2424600 177.981 -10.9476 30.4328 -0.714632 -65.6311 31.5364 -117.818 -129.146 -36.0739 PRESSAVG: 2424600 22.5051 -36.3261 -13.9031 -36.3261 -42.3152 1.023 -13.9032 1.02303 -8.88215 GPRESSAVG: 2424600 23.1328 -36.1028 -11.9287 -36.1798 -42.1387 -0.639848 -13.8873 -2.10641 -9.27096 TIMING: 2424600 CPU: 7662.75, 0.00319613/step Wall: 7662.75, 0.00319613/step, 2.28647 hours remaining, 238.046875 MB of memory in use. ENERGY: 2424600 4003.9384 20520.3482 14501.5549 252.1898 -203479.6147 2703.4460 0.0000 0.0000 51889.6882 -109608.4491 298.2108 -161498.1374 -109255.6154 298.7137 -10.2598 25.4252 762112.8758 -9.5641 -9.4256 PRESSURE: 2424800 59.1807 -122.506 147.056 -122.507 213.386 -203.683 147.057 -203.684 35.1584 GPRESSURE: 2424800 181.465 -204.013 83.1168 -73.507 206.905 -278.608 179.25 -121.753 -2.25928 PRESSAVG: 2424800 42.5078 -45.1199 -6.30499 -45.1199 3.42119 -12.21 -6.30497 -12.21 6.95004 GPRESSAVG: 2424800 43.5955 -44.5463 -7.57846 -44.2896 3.34979 -11.1709 -7.32171 -11.9373 6.1 TIMING: 2424800 CPU: 7663.39, 0.00317197/step Wall: 7663.39, 0.00317197/step, 2.26901 hours remaining, 238.046875 MB of memory in use. ENERGY: 2424800 4002.4885 20497.7635 14495.2666 239.4892 -203309.9335 2319.3979 0.0000 0.0000 52000.2591 -109755.2688 298.8462 -161755.5279 -109396.2419 298.7449 102.5751 128.7037 761091.7796 17.6264 17.6818 PRESSURE: 2425000 -132.457 -8.12227 -42.9963 -8.1224 324.173 -10.5418 -42.9966 -10.5413 86.3094 GPRESSURE: 2425000 -21.3093 52.4582 -34.8486 11.9366 315.179 -87.1713 -13.3939 134.636 71.2028 PRESSAVG: 2425000 -62.0286 18.6477 -35.2091 18.6476 55.3651 -76.3867 -35.2091 -76.3867 -6.5342 GPRESSAVG: 2425000 -62.9378 20.4814 -34.5586 16.8052 56.3725 -75.9512 -35.2012 -74.7305 -6.52943 TIMING: 2425000 CPU: 7664.02, 0.00317689/step Wall: 7664.02, 0.00317689/step, 2.27236 hours remaining, 238.046875 MB of memory in use. ENERGY: 2425000 3998.1337 20745.9239 14504.6305 251.3632 -203341.1653 2417.0835 0.0000 0.0000 52021.0469 -109402.9837 298.9657 -161424.0306 -109050.3103 298.6874 92.6754 121.6909 761010.5336 -4.3992 -4.3649 PRESSURE: 2425200 -116.894 -177.341 -209.082 -177.341 -200.014 -123.859 -209.082 -123.861 -152.275 GPRESSURE: 2425200 -108.701 -170.602 -153.76 -181.972 -112.308 -149.932 -178.122 -202.515 -140.728 PRESSAVG: 2425200 -4.58573 -12.1023 -27.2595 -12.1023 -3.56612 -20.6886 -27.2595 -20.6885 -7.1308 GPRESSAVG: 2425200 -3.86643 -13.3174 -28.5519 -10.7265 -4.65971 -20.3964 -25.6389 -20.9922 -6.5724 TIMING: 2425200 CPU: 7664.66, 0.0031636/step Wall: 7664.66, 0.0031636/step, 2.26268 hours remaining, 238.046875 MB of memory in use. ENERGY: 2425200 3986.8815 20539.6241 14442.0294 249.2924 -203053.9559 2531.6535 0.0000 0.0000 51951.8262 -109352.6488 298.5679 -161304.4751 -108992.8134 299.0333 -156.3940 -120.5791 763448.9293 -5.0942 -5.0328 PRESSURE: 2425400 -90.2081 112.278 -96.8162 112.277 6.80086 -144.461 -96.8161 -144.462 47.8104 GPRESSURE: 2425400 -180.072 80.738 -36.1473 62.3817 131.313 -85.8084 -120.461 -135.417 70.584 PRESSAVG: 2425400 37.6889 42.4978 -19.1128 42.4978 -26.6702 -41.5872 -19.1128 -41.5872 -10.6637 GPRESSAVG: 2425400 36.4494 43.0527 -20.6635 41.0684 -25.1308 -41.5906 -19.1154 -43.1262 -11.1756 TIMING: 2425400 CPU: 7665.29, 0.00317981/step Wall: 7665.29, 0.00317981/step, 2.27409 hours remaining, 238.046875 MB of memory in use. ENERGY: 2425400 4024.0235 20644.9849 14456.5841 260.5969 -203384.3394 2638.5000 0.0000 0.0000 51981.0778 -109378.5720 298.7360 -161359.6499 -109018.9727 299.2722 -11.8656 7.2752 762070.7037 0.1184 0.0477 PRESSURE: 2425600 -29.1766 -36.7715 32.9027 -36.7723 131.59 -118.663 32.9027 -118.665 -113.185 GPRESSURE: 2425600 -38.8823 -78.9266 1.65226 -58.8361 142.809 -67.5643 61.2713 -51.6843 -29.7868 PRESSAVG: 2425600 -13.5362 -35.4473 -66.3831 -35.4473 -1.80058 -38.7701 -66.383 -38.7702 9.26214 GPRESSAVG: 2425600 -14.5316 -35.8932 -65.1483 -34.1874 -1.65948 -36.8596 -66.3028 -38.0211 9.84199 TIMING: 2425600 CPU: 7665.93, 0.0031848/step Wall: 7665.93, 0.0031848/step, 2.27749 hours remaining, 238.046875 MB of memory in use. ENERGY: 2425600 3937.0404 20545.1619 14447.1616 218.1113 -203148.6115 2551.6330 0.0000 0.0000 52195.7507 -109253.7527 299.9697 -161449.5034 -108888.1681 299.4695 -3.5906 24.7133 763226.5598 -2.0249 -2.1164 PRESSURE: 2425800 -366.491 88.1107 -71.6661 88.1104 -472.824 -98.3252 -71.6652 -98.3248 -60.4056 GPRESSURE: 2425800 -266.632 39.409 -164.52 14.5214 -384.806 -113.598 -63.1423 -110.48 -180.289 PRESSAVG: 2425800 69.6252 -31.5095 -53.6888 -31.5095 -98.1662 -4.58786 -53.6889 -4.58782 -1.85364 GPRESSAVG: 2425800 70.6204 -30.774 -52.941 -32.9758 -99.2777 -5.53001 -56.6747 -6.52877 -1.8048 TIMING: 2425800 CPU: 7666.56, 0.0031659/step Wall: 7666.56, 0.0031659/step, 2.2638 hours remaining, 238.046875 MB of memory in use. ENERGY: 2425800 3954.3587 20662.2253 14528.2642 244.4388 -202882.2852 2227.7664 0.0000 0.0000 52009.9238 -109255.3079 298.9017 -161265.2318 -108879.5268 300.0042 -299.9069 -277.2422 762796.5374 -10.1315 -10.1540 PRESSURE: 2426000 -385.862 -23.8055 -92.9589 -23.8052 126.876 22.9345 -92.9594 22.9353 527.92 GPRESSURE: 2426000 -310.361 70.1285 -34.0843 -7.27515 107.021 -26.2696 -78.7349 27.9241 544.667 PRESSAVG: 2426000 49.4761 -76.8582 -18.294 -76.8582 -41.9121 -39.1277 -18.294 -39.1278 4.96488 GPRESSAVG: 2426000 50.2096 -77.9145 -17.7585 -74.891 -41.952 -41.4573 -17.0456 -37.4885 4.5352 TIMING: 2426000 CPU: 7667.2, 0.00317287/step Wall: 7667.2, 0.00317287/step, 2.2686 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2426000 3969.1247 20529.0515 14435.0859 246.2686 -203435.5983 2799.0264 0.0000 0.0000 52122.4626 -109334.5788 299.5485 -161457.0413 -108964.6217 299.4600 89.6447 113.7759 763418.0942 4.1763 4.2643 PRESSURE: 2426200 -162.47 52.0612 -2.8275 52.0618 -524.718 -142.46 -2.82843 -142.46 -199.053 GPRESSURE: 2426200 -163.224 -51.4725 46.4619 38.2098 -491.507 -170.953 36.3163 -189.818 -149.405 PRESSAVG: 2426200 62.4884 -4.75146 -62.9976 -4.75141 -28.8516 7.26757 -62.9977 7.26757 -24.8583 GPRESSAVG: 2426200 63.3416 -5.0488 -64.1581 -5.02653 -29.5805 7.38492 -63.359 7.00529 -24.337 TIMING: 2426200 CPU: 7667.83, 0.00315133/step Wall: 7667.83, 0.00315133/step, 2.25303 hours remaining, 238.046875 MB of memory in use. ENERGY: 2426200 3954.8450 20641.8299 14467.8602 250.8362 -203459.3996 2713.9189 0.0000 0.0000 52080.3577 -109349.7515 299.3065 -161430.1092 -108983.4190 299.7678 -295.4135 -268.0454 763355.6758 2.9262 3.1414 PRESSURE: 2426400 -47.202 -187.134 150.824 -187.134 64.6359 -187.247 150.823 -187.246 164.849 GPRESSURE: 2426400 -25.1512 -218.317 121.049 -124.144 -11.6232 -303.203 207.023 -199.274 303.397 PRESSAVG: 2426400 54.4287 -14.7541 -45.5933 -14.754 -32.9909 -38.4143 -45.5932 -38.4143 4.69461 GPRESSAVG: 2426400 51.7904 -13.6167 -46.9408 -16.5358 -31.9612 -37.6811 -43.632 -38.1444 5.91186 TIMING: 2426400 CPU: 7668.46, 0.00315769/step Wall: 7668.46, 0.00315769/step, 2.2574 hours remaining, 238.046875 MB of memory in use. ENERGY: 2426400 4000.3916 20546.1597 14513.6269 264.8598 -203165.5099 2388.0677 0.0000 0.0000 52313.6925 -109138.7116 300.6475 -161452.4041 -108777.2547 299.6720 60.7609 88.8741 760871.5711 8.7108 8.5804 PRESSURE: 2426600 151.306 58.4366 -149.035 58.436 -80.3165 -25.4149 -149.035 -25.415 -15.9145 GPRESSURE: 2426600 127.213 67.4655 -90.1287 50.6351 -10.9705 -65.5064 -58.4872 -2.31707 26.4605 PRESSAVG: 2426600 36.2053 -8.77322 13.6393 -8.77328 -67.4045 -28.0464 13.6394 -28.0464 -9.43421 GPRESSAVG: 2426600 36.5523 -8.17971 15.6271 -6.93879 -66.9113 -26.8543 12.5135 -27.2706 -9.6923 TIMING: 2426600 CPU: 7669.1, 0.00318281/step Wall: 7669.1, 0.00318281/step, 2.27518 hours remaining, 238.046875 MB of memory in use. ENERGY: 2426600 4000.1158 20847.3385 14472.8952 264.8856 -203247.6491 2564.7140 0.0000 0.0000 51983.6911 -109114.0089 298.7510 -161097.7000 -108754.0757 300.0939 18.3585 47.5677 763102.0453 -13.5445 -13.3504 PRESSURE: 2426800 -251.048 -6.44462 -123.87 -6.44415 22.3173 -218.262 -123.869 -218.264 -384.19 GPRESSURE: 2426800 -126.518 -52.5665 -201.936 92.6571 -94.5559 -147.027 -142.943 -151.891 -319.953 PRESSAVG: 2426800 26.7981 16.0265 -33.5173 16.0265 -36.9137 -24.0151 -33.5173 -24.0149 5.48552 GPRESSAVG: 2426800 28.5451 16.0648 -34.2323 15.1957 -37.0476 -24.2264 -34.6691 -22.8878 4.32681 TIMING: 2426800 CPU: 7669.73, 0.00317105/step Wall: 7669.73, 0.00317105/step, 2.2666 hours remaining, 238.046875 MB of memory in use. ENERGY: 2426800 3978.0416 20501.7467 14439.2888 232.3712 -202980.1323 2479.1425 0.0000 0.0000 52184.3967 -109165.1447 299.9044 -161349.5415 -108799.5620 300.0907 -204.3071 -180.3421 764636.6025 -1.5433 -1.3919 PRESSURE: 2427000 -246.772 130.747 -155.696 130.747 -435.994 168.915 -155.696 168.917 216.886 GPRESSURE: 2427000 -226.02 179.783 -194.165 -8.69484 -321.698 115.45 -231.605 148.622 158.448 PRESSAVG: 2427000 -28.8495 9.8112 -32.1791 9.81114 21.7412 28.919 -32.1792 28.919 3.26923 GPRESSAVG: 2427000 -29.1357 8.51474 -31.3691 9.13866 22.5973 28.6556 -31.0051 27.674 2.61734 TIMING: 2427000 CPU: 7670.36, 0.0031729/step Wall: 7670.36, 0.0031729/step, 2.26774 hours remaining, 238.046875 MB of memory in use. ENERGY: 2427000 3990.5236 20602.8185 14496.4728 246.0147 -202646.7348 2252.9036 0.0000 0.0000 51953.9467 -109104.0549 298.5800 -161058.0016 -108743.5279 299.9695 -155.2936 -129.7568 762333.2886 -1.2797 -1.3070 PRESSURE: 2427200 -25.9688 22.6441 -106.33 22.6444 117.591 -168.662 -106.332 -168.663 174.106 GPRESSURE: 2427200 -17.9607 -37.5718 -79.8075 115.425 152.052 -200.309 -21.571 -166.964 216.252 PRESSAVG: 2427200 29.9655 28.3295 -41.7837 28.3294 -46.0808 -48.0037 -41.7837 -48.0037 21.8719 GPRESSAVG: 2427200 29.5439 27.0359 -41.955 31.2842 -47.8171 -47.3667 -42.4651 -47.8619 24.3835 TIMING: 2427200 CPU: 7671, 0.00317984/step Wall: 7671, 0.00317984/step, 2.27252 hours remaining, 238.046875 MB of memory in use. ENERGY: 2427200 4032.5982 20524.6886 14462.7809 251.5603 -203286.3953 2623.5521 0.0000 0.0000 52066.9420 -109324.2732 299.2294 -161391.2152 -108965.0811 299.8868 88.5761 116.7810 760220.2185 1.9188 2.0368 PRESSURE: 2427400 357.959 -243.05 121.991 -243.05 140.14 89.6054 121.992 89.6057 231.466 GPRESSURE: 2427400 344.036 -75.1493 86.499 -256.093 270.674 49.6051 250.912 80.4063 174.63 PRESSAVG: 2427400 -9.76543 6.39831 -6.25847 6.3983 -35.5326 -15.8064 -6.25849 -15.8065 -6.4312 GPRESSAVG: 2427400 -10.9403 6.2618 -6.76109 5.17469 -33.7281 -15.7935 -4.72058 -16.7569 -6.67107 TIMING: 2427400 CPU: 7671.63, 0.00317067/step Wall: 7671.63, 0.00317067/step, 2.2658 hours remaining, 238.046875 MB of memory in use. ENERGY: 2427400 3895.8339 20736.2419 14461.3092 240.2883 -203135.4097 2602.5903 0.0000 0.0000 51739.3243 -109459.8218 297.3466 -161199.1460 -109110.0989 299.5969 243.1881 263.1134 761894.5391 -17.2431 -17.1131 PRESSURE: 2427600 -296.921 66.7772 -166.945 66.7772 -209.175 222.218 -166.946 222.217 -254.822 GPRESSURE: 2427600 -175.481 -19.1378 -145.013 34.842 -230.482 163.987 -148.141 295.683 -262.277 PRESSAVG: 2427600 28.137 19.5664 -17.6515 19.5664 9.64433 -15.0421 -17.6515 -15.0421 -2.13873 GPRESSAVG: 2427600 28.733 20.7196 -16.6468 20.4345 10.6744 -16.0811 -19.1989 -14.1846 -2.97262 TIMING: 2427600 CPU: 7672.27, 0.00316904/step Wall: 7672.27, 0.00316904/step, 2.26445 hours remaining, 238.046875 MB of memory in use. ENERGY: 2427600 3941.9699 20494.0632 14478.1817 261.4945 -203135.1186 2411.3481 0.0000 0.0000 52296.3653 -109251.6958 300.5479 -161548.0611 -108882.5485 299.1092 -253.6395 -222.7467 762019.7289 11.8809 12.1449 PRESSURE: 2427800 89.4824 249.826 84.3273 249.826 62.1584 244.658 84.327 244.658 -93.382 GPRESSURE: 2427800 46.9817 141.584 -30.0344 171.315 158.829 279.907 81.7529 170.086 -67.9089 PRESSAVG: 2427800 27.9997 30.4314 -4.09151 30.4314 40.5888 -12.0605 -4.09155 -12.0606 15.0616 GPRESSAVG: 2427800 29.1414 31.0104 -6.64723 27.7349 39.425 -11.104 -2.81025 -12.6036 14.9702 TIMING: 2427800 CPU: 7672.9, 0.00314862/step Wall: 7672.9, 0.00314862/step, 2.24969 hours remaining, 238.046875 MB of memory in use. ENERGY: 2427800 3903.6077 20542.5185 14478.6915 234.3259 -202991.6981 2647.4680 0.0000 0.0000 52228.4963 -108956.5902 300.1579 -161185.0865 -108599.9162 299.8527 19.4196 45.9674 760883.8232 27.8834 27.8455 PRESSURE: 2428000 313.395 148.913 -154.853 148.913 -56.9591 42.4006 -154.854 42.4001 521.493 GPRESSURE: 2428000 288.509 204.55 -1.08284 100.051 33.0203 53.5248 -146.716 -35.9479 546.149 PRESSAVG: 2428000 -46.5492 -41.6992 -62.8285 -41.6993 30.1689 19.0456 -62.8285 19.0456 -18.8252 GPRESSAVG: 2428000 -47.4614 -43.1255 -61.7137 -40.4507 31.5489 18.858 -62.8701 18.2123 -18.5175 TIMING: 2428000 CPU: 7673.53, 0.00317019/step Wall: 7673.53, 0.00317019/step, 2.26492 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2428000 3870.9539 20338.6219 14429.8522 234.8715 -202542.2918 2364.2057 0.0000 0.0000 52283.0484 -109020.7383 300.4714 -161303.7866 -108649.2296 300.0020 259.3096 289.2260 761436.8018 -11.7352 -11.4767 PRESSURE: 2428200 -372.631 43.3152 176.912 43.3143 -358.952 -172.077 176.912 -172.077 -349.672 GPRESSURE: 2428200 -331.438 -160.587 125.245 -75.6671 -352.029 -144.295 239.41 -32.3304 -320.024 PRESSAVG: 2428200 36.2482 0.461135 -27.5663 0.461136 -70.562 -35.2214 -27.5662 -35.2214 5.07383 GPRESSAVG: 2428200 36.4666 1.88965 -27.1703 -0.951808 -71.7673 -32.4961 -29.5562 -33.2628 6.39631 TIMING: 2428200 CPU: 7674.16, 0.0031634/step Wall: 7674.16, 0.0031634/step, 2.2599 hours remaining, 238.046875 MB of memory in use. ENERGY: 2428200 3966.1346 20662.2181 14456.7529 267.0648 -202724.3495 2211.9111 0.0000 0.0000 51937.9817 -109222.2862 298.4883 -161160.2679 -108853.7842 299.8063 -360.4184 -334.4970 762987.7598 -9.7466 -9.6348 LDB: ============= START OF LOAD BALANCING ============== 7686.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7686.56 LDB: =============== DONE WITH MIGRATION ================ 7686.57 LDB: ============= START OF LOAD BALANCING ============== 7686.88 LDB: Largest compute 7025 load 0.034886 is 17.8% of average load 0.196005 LDB: Average compute 0.004381 is 2.2% of average load 0.196005 LDB: TIME 7686.89 LOAD: AVG 0.196005 MAX 0.221362 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 7686.89 LOAD: AVG 0.196005 MAX 0.221362 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 7686.89 LOAD: AVG 0.196005 MAX 0.221362 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 7686.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7686.89 PRESSURE: 2428400 40.6345 -246.189 15.3624 -246.19 454.027 -220.869 15.3627 -220.87 -33.3037 GPRESSURE: 2428400 134.098 -192.271 51.0588 -278.098 467.315 -97.7526 -14.7917 -132.545 -45.0715 PRESSAVG: 2428400 58.8042 -38.9366 -52.1314 -38.9366 -70.0167 11.2098 -52.1314 11.2098 -11.2479 GPRESSAVG: 2428400 58.2699 -38.5235 -52.1547 -39.4965 -68.2275 10.2229 -50.6866 8.99966 -12.3717 TIMING: 2428400 CPU: 7674.81, 0.00323777/step Wall: 7674.81, 0.00323777/step, 2.31284 hours remaining, 239.957031 MB of memory in use. ENERGY: 2428400 3933.7656 20672.5964 14447.1208 246.2352 -203225.3884 2628.5207 0.0000 0.0000 52009.7570 -109287.3927 298.9008 -161297.1497 -108929.7386 299.4478 153.7861 185.4472 760185.8832 -7.4868 -7.4431 PRESSURE: 2428600 20.0632 -58.2373 -92.2131 -58.2372 49.2264 215.02 -92.2136 215.02 448.468 GPRESSURE: 2428600 64.4855 -24.9044 -95.5132 -76.5974 -2.58448 223.761 -71.2333 57.4589 547.579 PRESSAVG: 2428600 31.7022 -28.6549 7.71399 -28.6549 -27.3981 -2.9038 7.71395 -2.90382 -1.37526 GPRESSAVG: 2428600 32.3447 -28.542 9.36737 -28.3071 -28.8702 -2.75153 5.12655 -1.24432 -0.905583 TIMING: 2428600 CPU: 7675.44, 0.00315469/step Wall: 7675.44, 0.00315469/step, 2.25332 hours remaining, 239.957031 MB of memory in use. ENERGY: 2428600 3962.9838 20587.6653 14407.4033 244.6701 -202727.5955 2299.1996 0.0000 0.0000 52158.4289 -109067.2445 299.7552 -161225.6734 -108709.1994 299.2296 172.5858 203.1599 762232.7338 0.9763 0.8563 PRESSURE: 2428800 94.6792 52.9587 105.997 52.9584 74.1441 90.4798 105.997 90.4796 -290.067 GPRESSURE: 2428800 105.566 6.5146 4.45978 -52.4294 89.3296 65.7141 70.6884 111.087 -234.335 PRESSAVG: 2428800 51.4184 -17.9198 -43.1902 -17.9198 -28.5555 -10.6052 -43.1902 -10.6052 -7.85392 GPRESSAVG: 2428800 51.3776 -21.6407 -45.7847 -17.2873 -28.383 -11.6252 -41.244 -10.1856 -7.35954 TIMING: 2428800 CPU: 7676.08, 0.00318898/step Wall: 7676.08, 0.00318897/step, 2.27764 hours remaining, 239.957031 MB of memory in use. ENERGY: 2428800 4000.4105 20506.5881 14420.0666 251.9082 -203025.5690 2660.9582 0.0000 0.0000 52178.5000 -109007.1375 299.8706 -161185.6375 -108647.7776 299.7733 -40.4147 -13.1466 761512.4806 5.0030 5.2117 PRESSURE: 2429000 -57.4437 -212.838 -138.062 -212.838 -223.907 232.259 -138.062 232.259 -26.6514 GPRESSURE: 2429000 33.0963 -302.921 -193.52 -142.434 -232.206 249.763 -8.89269 234.922 -31.1077 PRESSAVG: 2429000 -15.8589 -64.4286 -59.4953 -64.4286 20.1131 -38.7748 -59.4953 -38.7748 15.8625 GPRESSAVG: 2429000 -15.6186 -61.9951 -58.2186 -64.6857 19.8608 -38.0586 -59.4579 -40.0578 15.7472 TIMING: 2429000 CPU: 7676.72, 0.00318393/step Wall: 7676.72, 0.00318393/step, 2.27386 hours remaining, 239.957031 MB of memory in use. ENERGY: 2429000 4011.7862 20651.9242 14518.1762 226.9806 -203199.6888 2639.6307 0.0000 0.0000 52207.4332 -108943.7577 300.0368 -161151.1908 -108564.0959 300.5299 -102.6674 -76.7393 762646.8158 6.7055 6.6632 PRESSURE: 2429200 286.447 -10.7729 152.951 -10.7733 138.751 -8.9078 152.951 -8.9075 -7.59121 GPRESSURE: 2429200 251.229 -3.4313 120.444 44.7069 231.572 -45.3435 133.408 -45.8237 33.3197 PRESSAVG: 2429200 20.6377 3.61961 -23.6707 3.61961 -3.8943 6.40937 -23.6707 6.40938 -15.9898 GPRESSAVG: 2429200 19.684 3.3748 -24.7455 4.31147 -3.1868 4.71554 -22.0232 8.92841 -16.2768 TIMING: 2429200 CPU: 7677.35, 0.00316608/step Wall: 7677.35, 0.00316609/step, 2.26094 hours remaining, 239.957031 MB of memory in use. ENERGY: 2429200 3961.2636 20503.6910 14483.4520 242.9989 -203533.4960 2903.5913 0.0000 0.0000 52399.0247 -109039.4744 301.1379 -161438.4992 -108671.4900 300.5231 139.2022 172.0402 762247.4711 0.2512 0.0735 PRESSURE: 2429400 365.548 -73.44 -53.2914 -73.4404 181.552 334.604 -53.2918 334.603 243.158 GPRESSURE: 2429400 374.151 -33.3612 -11.6168 -136.494 125.287 243.888 -96.845 246.667 375.655 PRESSAVG: 2429400 23.3255 -31.4127 -14.0516 -31.4127 -61.0559 49.9429 -14.0517 49.9428 3.92726 GPRESSAVG: 2429400 24.2944 -31.1665 -13.6514 -31.2316 -62.9015 51.4509 -15.642 48.4227 5.28258 TIMING: 2429400 CPU: 7677.99, 0.00318495/step Wall: 7677.99, 0.00318494/step, 2.27423 hours remaining, 239.957031 MB of memory in use. ENERGY: 2429400 3979.7074 20720.0930 14476.3963 235.3355 -203051.8164 2661.0126 0.0000 0.0000 52016.1704 -108963.1012 298.9376 -160979.2716 -108609.6317 300.2888 263.4193 291.6976 761522.5109 -11.2677 -11.1082 PRESSURE: 2429600 -74.0537 28.8576 114.388 28.8572 204.674 -218.431 114.388 -218.432 -210.645 GPRESSURE: 2429600 -56.7737 21.5255 119.481 40.7316 218.84 -156.44 116.806 -93.8657 -160.849 PRESSAVG: 2429600 22.7221 -9.52659 19.0928 -9.52658 -74.235 -2.52931 19.0928 -2.52931 5.83093 GPRESSAVG: 2429600 22.6529 -10.0096 16.9908 -9.90912 -72.4125 -2.18764 21.329 -3.765 4.61877 TIMING: 2429600 CPU: 7678.62, 0.00317836/step Wall: 7678.62, 0.00317836/step, 2.26935 hours remaining, 239.957031 MB of memory in use. ENERGY: 2429600 3990.3115 20625.4881 14482.3070 250.3202 -203141.0468 2527.0124 0.0000 0.0000 52085.0470 -109180.5607 299.3335 -161265.6077 -108824.2685 300.0600 -26.6751 0.4056 763333.9152 -15.2273 -15.0469 PRESSURE: 2429800 233.288 -183.63 -76.3111 -183.63 -88.3521 -78.7933 -76.3107 -78.7932 -227.148 GPRESSURE: 2429800 145.69 -171.152 -107.053 -157.62 40.2794 -148.777 -152.821 -50.9045 -185.212 PRESSAVG: 2429800 30.0586 8.49559 6.29286 8.49559 -13.1367 32.3487 6.29287 32.3488 -10.1348 GPRESSAVG: 2429800 29.0047 11.1407 7.58418 8.38494 -13.3392 32.3059 4.81455 32.9074 -8.98001 TIMING: 2429800 CPU: 7679.26, 0.00318516/step Wall: 7679.26, 0.00318516/step, 2.27403 hours remaining, 239.957031 MB of memory in use. ENERGY: 2429800 4010.3675 20592.2460 14417.9736 250.2110 -203014.8353 2579.5837 0.0000 0.0000 52047.1172 -109117.3363 299.1155 -161164.4535 -108751.1514 300.1304 -27.4039 0.2526 763282.7786 2.2624 2.2285 PRESSURE: 2430000 -143.473 -85.4105 155.07 -85.4106 -24.3769 -238.8 155.071 -238.799 193.218 GPRESSURE: 2430000 -104.961 -4.1509 76.5699 -123.694 -94.4125 -220.752 12.142 -145.888 301.625 PRESSAVG: 2430000 15.7478 -2.99854 -61.8598 -2.99853 -26.8088 28.0482 -61.8598 28.0482 3.39358 GPRESSAVG: 2430000 16.7534 -5.81815 -60.4969 -2.58868 -27.5952 27.2551 -64.363 26.5503 3.70697 TIMING: 2430000 CPU: 7679.89, 0.0031631/step Wall: 7679.89, 0.0031631/step, 2.2581 hours remaining, 239.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2430000 3989.4808 20524.9459 14514.8276 263.2612 -203179.8763 2411.1905 0.0000 0.0000 52204.0587 -109272.1116 300.0174 -161476.1703 -108913.9963 299.5311 8.4558 34.0838 761406.6008 -2.5558 -2.3783 PRESSURE: 2430200 -51.783 -89.8806 40.2871 -89.881 -44.6831 264.447 40.2873 264.447 27.7228 GPRESSURE: 2430200 77.1415 21.6384 86.6961 -97.7072 -91.5962 306.346 13.2084 310.564 27.4941 PRESSAVG: 2430200 21.3659 -13.772 -61.4558 -13.772 5.93865 31.9266 -61.4558 31.9266 13.8431 GPRESSAVG: 2430200 23.2129 -11.8037 -61.8702 -15.6435 4.87077 33.1424 -59.7557 33.8914 12.8151 TIMING: 2430200 CPU: 7680.53, 0.00317259/step Wall: 7680.53, 0.00317259/step, 2.2647 hours remaining, 239.957031 MB of memory in use. ENERGY: 2430200 4050.8409 20472.1188 14559.9026 232.0037 -203240.3127 2648.1882 0.0000 0.0000 52296.1137 -108981.1448 300.5465 -161277.2585 -108624.9789 299.4329 -22.9144 4.3465 762185.1398 13.7159 13.6329 PRESSURE: 2430400 491.802 -127.161 -107.433 -127.162 -138.715 148.363 -107.432 148.362 159.346 GPRESSURE: 2430400 363.79 -92.0917 -145.206 21.0771 16.7143 46.7245 -120.645 54.9696 228.73 PRESSAVG: 2430400 -22.2071 -5.18584 -38.8053 -5.18585 -42.8705 21.0909 -38.8054 21.0909 15.7787 GPRESSAVG: 2430400 -24.492 -6.78538 -41.0414 -0.990894 -41.0615 20.2166 -36.6462 19.23 16.3522 TIMING: 2430400 CPU: 7681.16, 0.00316637/step Wall: 7681.16, 0.00316638/step, 2.26009 hours remaining, 239.957031 MB of memory in use. ENERGY: 2430400 4001.4719 20467.4404 14486.2277 258.6595 -203020.1168 2561.7811 0.0000 0.0000 52339.2583 -108905.2778 300.7944 -161244.5362 -108543.5120 300.4030 170.8110 203.0782 762438.4143 -16.4330 -16.4004 PRESSURE: 2430600 62.343 -28.0484 216.801 -28.0478 187.965 -195.344 216.802 -195.344 -185.214 GPRESSURE: 2430600 26.9793 -36.0829 180.099 0.991645 238.602 -254.439 156.27 -197.326 -134.712 PRESSAVG: 2430600 79.0449 -50.0499 -29.2218 -50.0499 -60.6576 -20.6197 -29.2218 -20.6198 -11.3292 GPRESSAVG: 2430600 77.818 -48.8345 -27.8357 -54.0465 -59.685 -21.0054 -30.7164 -17.615 -12.0133 TIMING: 2430600 CPU: 7681.79, 0.00316559/step Wall: 7681.79, 0.00316559/step, 2.25935 hours remaining, 239.957031 MB of memory in use. ENERGY: 2430600 4026.0309 20642.1770 14582.3500 257.4577 -203329.5371 2859.8359 0.0000 0.0000 52163.9381 -108797.7476 299.7869 -160961.6857 -108441.4618 300.6514 21.6979 43.6231 761545.8872 2.3527 2.0399 PRESSURE: 2430800 59.1066 -112.703 -181.506 -112.703 195.464 -122.177 -181.506 -122.175 -321.684 GPRESSURE: 2430800 167.419 -85.0311 -91.5923 -53.2805 115.082 -82.8075 -26.9542 -95.8446 -287.22 PRESSAVG: 2430800 2.40858 -13.3592 10.7951 -13.3591 15.2469 -2.99367 10.7951 -2.99373 -6.08085 GPRESSAVG: 2430800 4.00114 -10.7933 13.3371 -15.4707 13.8368 -2.82243 12.1246 -5.60879 -6.29542 TIMING: 2430800 CPU: 7682.43, 0.00316628/step Wall: 7682.43, 0.00316627/step, 2.25966 hours remaining, 239.957031 MB of memory in use. ENERGY: 2430800 3985.9592 20669.5617 14494.7815 269.2896 -202845.4187 2348.9654 0.0000 0.0000 52278.0431 -108798.8183 300.4426 -161076.8614 -108446.0653 301.1574 -22.3711 -1.5730 761961.9118 3.8582 3.8475 PRESSURE: 2431000 -5.61688 -92.0587 64.6215 -92.0583 106.056 13.2788 64.6212 13.2782 205.072 GPRESSURE: 2431000 52.9049 -191.942 -41.9416 -30.9456 177.976 61.6106 -40.2737 150.356 142.662 PRESSAVG: 2431000 1.0409 1.68435 -27.8671 1.68432 3.72552 29.7743 -27.8671 29.7743 6.8801 GPRESSAVG: 2431000 0.585687 0.0358034 -31.5528 5.02975 3.94228 28.6665 -29.1684 31.6594 6.87612 TIMING: 2431000 CPU: 7683.06, 0.00317448/step Wall: 7683.06, 0.00317448/step, 2.26534 hours remaining, 239.957031 MB of memory in use. ENERGY: 2431000 4006.5511 20626.7525 14515.6027 229.7560 -202772.1005 2521.2756 0.0000 0.0000 52040.5797 -108831.5830 299.0779 -160872.1627 -108468.3448 300.8375 101.8369 124.5143 761953.9639 3.8822 3.8014 PRESSURE: 2431200 -250.059 -7.26482 -74.4111 -7.26606 -226.289 -78.1821 -74.4112 -78.1837 -9.64364 GPRESSURE: 2431200 -239.457 -96.6285 -112.816 61.3563 -211.748 -88.0994 -35.4324 -66.3543 33.3578 PRESSAVG: 2431200 -14.2416 26.2133 2.78541 26.2132 29.2674 17.3433 2.78542 17.3433 -4.03612 GPRESSAVG: 2431200 -13.7516 24.1629 5.19292 26.1733 29.2213 19.166 2.42582 15.988 -4.8881 TIMING: 2431200 CPU: 7683.7, 0.00317765/step Wall: 7683.7, 0.00317765/step, 2.26743 hours remaining, 239.957031 MB of memory in use. ENERGY: 2431200 4045.7015 20719.8650 14464.8645 247.2979 -202710.1481 2163.3674 0.0000 0.0000 52032.5988 -109036.4531 299.0321 -161069.0519 -108680.3521 300.4614 -161.9973 -139.2825 761713.3278 3.6632 3.5272 PRESSURE: 2431400 -18.2185 -95.2866 -216.517 -95.2873 -404.089 -52.2071 -216.517 -52.2065 222.025 GPRESSURE: 2431400 -37.3414 -60.4608 -165.171 -30.1262 -379.36 -80.6135 -113.653 -71.0719 298.292 PRESSAVG: 2431400 -4.53977 -12.6697 -17.8687 -12.6698 45.7982 12.6113 -17.8688 12.6114 -6.46833 GPRESSAVG: 2431400 -4.91462 -10.6067 -18.2093 -12.8095 46.1442 10.9567 -15.973 14.6844 -6.11319 TIMING: 2431400 CPU: 7684.33, 0.0031672/step Wall: 7684.33, 0.0031672/step, 2.2598 hours remaining, 239.957031 MB of memory in use. ENERGY: 2431400 4013.3199 20577.2612 14495.0884 257.5678 -202817.3422 2341.0258 0.0000 0.0000 51934.9326 -109198.1463 298.4708 -161133.0790 -108832.4484 300.4031 -66.7609 -39.4698 763291.2291 11.5967 11.7055 PRESSURE: 2431600 89.3764 237.969 227.944 237.969 366.597 40.5226 227.944 40.523 -546.794 GPRESSURE: 2431600 87.5584 147.449 264.789 238.089 375.986 83.3395 268.386 100.108 -479.611 PRESSAVG: 2431600 12.5999 -5.68961 -19.3665 -5.68957 -16.7292 19.6256 -19.3665 19.6257 -23.1677 GPRESSAVG: 2431600 12.8484 -5.57583 -19.8464 -5.12816 -17.3152 20.8041 -20.2454 18.0724 -23.1136 TIMING: 2431600 CPU: 7684.96, 0.00316341/step Wall: 7684.96, 0.00316341/step, 2.25692 hours remaining, 239.957031 MB of memory in use. ENERGY: 2431600 3980.4320 20509.3478 14456.3405 262.8160 -203363.6384 2867.4554 0.0000 0.0000 52155.0043 -109132.2424 299.7355 -161287.2467 -108770.6331 299.5181 -30.2735 -5.3557 761978.1152 -9.0990 -9.1935 PRESSURE: 2431800 101.568 104.295 -310.822 104.295 156.194 -114.065 -310.822 -114.064 14.5717 GPRESSURE: 2431800 187.593 97.6976 -302.313 126.241 158.101 -108.133 -321.924 -46.391 23.7233 PRESSAVG: 2431800 -14.1587 -5.66574 5.4464 -5.66571 13.6294 10.6064 5.44637 10.6064 -12.1976 GPRESSAVG: 2431800 -13.2497 -7.68373 6.45195 -5.84476 13.2407 11.1136 4.71649 9.6788 -13.1808 TIMING: 2431800 CPU: 7685.59, 0.0031361/step Wall: 7685.59, 0.0031361/step, 2.23726 hours remaining, 239.957031 MB of memory in use. ENERGY: 2431800 4046.2604 20464.6775 14521.3523 238.7557 -203044.1252 2495.6207 0.0000 0.0000 52388.2784 -108889.1803 301.0762 -161277.4586 -108522.2846 300.1095 90.7777 123.1392 760844.0307 -4.2423 -4.3966 PRESSURE: 2432000 12.2202 184.827 63.0771 184.827 124.371 -206.37 63.0768 -206.368 -108.088 GPRESSURE: 2432000 112.811 112.95 -8.43316 54.1036 124.589 -231.523 14.7116 -110.44 -119.411 PRESSAVG: 2432000 30.8048 14.5381 -10.3672 14.5381 -15.8342 4.02014 -10.3672 4.02011 2.99319 GPRESSAVG: 2432000 30.3932 14.0419 -9.93564 15.284 -16.665 3.80999 -12.5236 3.09858 4.2401 TIMING: 2432000 CPU: 7686.22, 0.00314705/step Wall: 7686.22, 0.00314705/step, 2.2449 hours remaining, 239.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2432000 4048.1477 20440.8561 14458.6086 240.5293 -203314.6591 2729.4410 0.0000 0.0000 52284.9046 -109112.1719 300.4821 -161397.0765 -108747.0845 299.8031 9.5009 39.3298 761552.3755 5.9879 5.9894 PRESSURE: 2432200 322.163 -118.448 -379.254 -118.447 4.24922 -48.599 -379.255 -48.5991 -82.0673 GPRESSURE: 2432200 227.536 -19.1144 -289.08 31.6357 82.2666 -76.9274 -384.546 12.4564 31.7359 PRESSAVG: 2432200 94.3423 3.35754 -11.5919 3.35753 -69.123 -2.32278 -11.5918 -2.32276 14.6453 GPRESSAVG: 2432200 93.3988 5.7181 -12.2512 2.59215 -67.5933 -4.19125 -10.4063 -0.77034 14.2008 TIMING: 2432200 CPU: 7686.85, 0.00315721/step Wall: 7686.85, 0.00315721/step, 2.25197 hours remaining, 239.957031 MB of memory in use. ENERGY: 2432200 3967.5318 20487.7931 14456.4525 240.9696 -203117.0632 2580.9294 0.0000 0.0000 52153.5492 -109229.8375 299.7272 -161383.3867 -108863.4947 299.3340 81.4484 113.8461 761801.3781 13.2882 13.3354 LDB: ============= START OF LOAD BALANCING ============== 7699.25 LDB: ============== END OF LOAD BALANCING =============== 7699.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7699.25 LDB: ============= START OF LOAD BALANCING ============== 7699.57 LDB: Largest compute 7045 load 0.034629 is 17.7% of average load 0.195960 LDB: Average compute 0.004396 is 2.2% of average load 0.195960 LDB: TIME 7699.58 LOAD: AVG 0.19596 MAX 0.219777 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 7699.58 LOAD: AVG 0.19596 MAX 0.219777 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 7699.58 LOAD: AVG 0.19596 MAX 0.219777 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 7699.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7699.58 PRESSURE: 2432400 -236.765 50.2714 14.3152 50.2727 -94.7086 61.2086 14.3144 61.2082 -54.2515 GPRESSURE: 2432400 -123.066 0.849052 -29.2584 165.462 -97.3969 29.9085 7.66258 138.549 -93.2211 PRESSAVG: 2432400 91.5142 15.2273 2.50156 15.2273 -95.9692 -27.4775 2.50152 -27.4775 4.503 GPRESSAVG: 2432400 91.8632 15.3845 2.47835 15.2347 -96.3047 -24.8874 2.12772 -29.202 4.59154 TIMING: 2432400 CPU: 7687.5, 0.00323838/step Wall: 7687.5, 0.00323838/step, 2.30969 hours remaining, 238.410156 MB of memory in use. ENERGY: 2432400 3963.0448 20407.6691 14488.2349 250.6516 -203395.9071 2862.7584 0.0000 0.0000 52283.0328 -109140.5154 300.4713 -161423.5482 -108773.0027 299.5901 -128.5752 -104.5615 761904.1663 0.0160 0.0500 PRESSURE: 2432600 -78.2337 105.845 -25.4242 105.845 -34.5468 -79.9393 -25.4244 -79.9404 -7.27954 GPRESSURE: 2432600 -50.5903 89.1235 30.7911 19.6579 -71.1082 -126.003 -49.1786 -124.209 82.0274 PRESSAVG: 2432600 78.1222 28.9492 -15.7392 28.9492 -94.1618 16.6526 -15.7392 16.6526 -2.20258 GPRESSAVG: 2432600 78.1526 28.6422 -15.5826 27.9534 -95.0736 16.0173 -13.2891 18.2704 -1.6392 TIMING: 2432600 CPU: 7688.13, 0.00316398/step Wall: 7688.13, 0.00316398/step, 2.25645 hours remaining, 238.613281 MB of memory in use. ENERGY: 2432600 3946.7520 20514.1803 14409.9439 260.0629 -203328.9552 2926.9814 0.0000 0.0000 52201.3858 -109069.6489 300.0021 -161271.0347 -108702.3673 300.1379 -40.0200 -13.2237 762706.8383 -6.0807 -6.1867 PRESSURE: 2432800 -55.7681 16.3838 -33.4017 16.3839 -399.832 -57.8339 -33.4022 -57.834 -242.036 GPRESSURE: 2432800 -120.926 139.961 -102.508 18.7485 -312.081 51.6899 -33.8489 -113.345 -169.368 PRESSAVG: 2432800 53.3932 -4.96076 10.3502 -4.96074 -17.4022 4.47569 10.3501 4.47562 27.2591 GPRESSAVG: 2432800 54.084 -4.88669 11.1993 -2.19484 -17.3845 4.1185 8.74031 4.49996 26.6935 TIMING: 2432800 CPU: 7688.77, 0.00317037/step Wall: 7688.77, 0.00317037/step, 2.26082 hours remaining, 238.613281 MB of memory in use. ENERGY: 2432800 4027.9258 20510.5221 14450.9847 251.2256 -203062.6319 2461.4257 0.0000 0.0000 52050.4508 -109310.0972 299.1347 -161360.5481 -108943.9156 299.5161 -232.5453 -200.7919 761481.6212 21.0834 21.1310 PRESSURE: 2433000 92.8094 -124.33 93.5557 -124.33 -80.804 94.3032 93.556 94.3027 169.208 GPRESSURE: 2433000 107.384 -14.9506 151.486 -225.155 -42.1382 12.2915 36.9049 130.066 210.328 PRESSAVG: 2433000 -12.0023 -21.3291 -49.4495 -21.3291 6.78734 -6.39021 -49.4495 -6.39006 -5.89329 GPRESSAVG: 2433000 -12.8018 -21.2489 -50.4138 -25.3729 7.31941 -6.16525 -48.2978 -6.89329 -5.67723 TIMING: 2433000 CPU: 7689.41, 0.00319299/step Wall: 7689.41, 0.00319299/step, 2.27678 hours remaining, 238.613281 MB of memory in use. ENERGY: 2433000 3940.5886 20295.7742 14476.0635 222.6438 -203393.1874 2673.7310 0.0000 0.0000 52344.7389 -109439.6474 300.8259 -161784.3863 -109071.6708 299.5692 60.4045 91.8578 760534.1956 -3.7028 -3.7199 PRESSURE: 2433200 269.051 -89.107 -20.632 -89.1065 -176.645 -31.6252 -20.6317 -31.625 36.7751 GPRESSURE: 2433200 301.65 27.0052 -49.6981 10.3851 -145.859 15.2471 4.2838 35.2716 45.7521 PRESSAVG: 2433200 45.852 -43.294 -21.9553 -43.294 -74.5886 18.971 -21.9554 18.971 3.26057 GPRESSAVG: 2433200 47.5901 -42.5628 -21.8154 -43.7764 -75.7214 18.5973 -21.1323 22.0468 2.75327 TIMING: 2433200 CPU: 7690.04, 0.00317075/step Wall: 7690.04, 0.00317075/step, 2.26074 hours remaining, 238.613281 MB of memory in use. ENERGY: 2433200 3963.2361 20376.2692 14442.2941 261.8694 -203085.5942 2651.8370 0.0000 0.0000 52265.1632 -109124.9253 300.3686 -161390.0884 -108757.5193 299.4826 43.0603 67.1812 761709.6027 -8.4920 -8.4594 PRESSURE: 2433400 -210.505 -36.2088 -153.815 -36.2086 -217.861 -16.467 -153.815 -16.4674 -480.752 GPRESSURE: 2433400 -181.894 106.558 -96.4811 -161.153 -214.082 0.290986 -43.5542 -159.222 -441.299 PRESSAVG: 2433400 80.2127 -30.3293 -7.1345 -30.3292 -49.2637 -0.462812 -7.13449 -0.462819 -12.0197 GPRESSAVG: 2433400 78.8972 -30.5381 -7.91112 -29.9738 -47.0303 -0.0537242 -9.37201 -2.68327 -12.24 TIMING: 2433400 CPU: 7690.67, 0.00317062/step Wall: 7690.67, 0.00317062/step, 2.26048 hours remaining, 238.613281 MB of memory in use. ENERGY: 2433400 3976.7671 20597.6234 14487.6411 259.7457 -202821.4185 2165.6510 0.0000 0.0000 51951.7557 -109382.2346 298.5675 -161333.9903 -109023.7235 299.6358 -303.0396 -279.0917 761323.8839 6.3098 6.5423 PRESSURE: 2433600 -201.213 -70.5015 172.66 -70.5004 166.235 200.019 172.662 200.019 -256.974 GPRESSURE: 2433600 -129.065 -12.0998 136.556 -21.7207 120.038 224.915 115.38 187.854 -202.533 PRESSAVG: 2433600 5.29599 -32.5047 17.3994 -32.5047 41.4246 -34.3118 17.3994 -34.3118 -0.724772 GPRESSAVG: 2433600 4.8643 -32.9995 18.6351 -30.8677 40.6189 -34.6566 18.3277 -35.6014 0.127256 TIMING: 2433600 CPU: 7691.31, 0.00318486/step Wall: 7691.31, 0.00318486/step, 2.27045 hours remaining, 238.613281 MB of memory in use. ENERGY: 2433600 3927.6153 20536.2358 14390.3426 272.5879 -202974.2286 2276.4116 0.0000 0.0000 51932.8445 -109638.1909 298.4588 -161571.0354 -109276.8802 299.0734 -97.3173 -70.5199 760743.5378 15.3319 15.2035 PRESSURE: 2433800 346.861 109.623 80.5317 109.623 18.5122 30.4373 80.5325 30.4364 372.696 GPRESSURE: 2433800 394.48 70.2804 136.048 50.5005 87.4201 15.1039 -18.9687 1.80478 348.817 PRESSAVG: 2433800 -6.88074 18.1074 -14.8567 18.1074 7.01118 23.8715 -14.8566 23.8716 17.4821 GPRESSAVG: 2433800 -6.30848 16.9962 -15.8451 19.9537 7.23016 24.6601 -15.9474 25.7606 16.7618 TIMING: 2433800 CPU: 7691.95, 0.00317843/step Wall: 7691.95, 0.00317843/step, 2.26569 hours remaining, 238.613281 MB of memory in use. ENERGY: 2433800 4025.8666 20356.9854 14401.2044 247.2818 -203869.4259 2963.0681 0.0000 0.0000 52093.8175 -109781.2020 299.3839 -161875.0195 -109416.0871 298.5946 246.0231 276.9058 759174.2020 5.8708 5.8945 PRESSURE: 2434000 -308.674 49.7378 162.56 49.7377 -249.142 25.6056 162.558 25.6053 -601.347 GPRESSURE: 2434000 -360.061 -6.94576 61.864 -10.1556 -140.661 30.2395 290.998 -51.686 -568.468 PRESSAVG: 2434000 0.749379 8.54426 -3.14272 8.54429 1.10147 -46.4319 -3.14266 -46.432 -2.41511 GPRESSAVG: 2434000 0.9312 9.69994 -3.36517 5.27078 -0.359966 -45.3645 -2.36845 -48.1028 -1.45477 TIMING: 2434000 CPU: 7692.58, 0.00316159/step Wall: 7692.58, 0.00316159/step, 2.25351 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2434000 4036.2564 20522.6734 14464.1091 247.6236 -203290.8269 2446.2202 0.0000 0.0000 51909.1734 -109664.7709 298.3227 -161573.9443 -109302.4170 298.5757 -386.3877 -356.3965 762571.1545 -0.1881 -0.2945 PRESSURE: 2434200 -332.389 -276.503 91.8043 -276.502 -103.726 -5.06482 91.8052 -5.06448 107.869 GPRESSURE: 2434200 -234.748 -227.977 65.1571 -376.78 -50.7265 66.8933 79.0394 19.7427 55.4503 PRESSAVG: 2434200 65.7935 11.0398 26.7549 11.0399 -35.7184 2.62748 26.7549 2.62742 4.11272 GPRESSAVG: 2434200 66.3351 12.4201 27.9947 10.2454 -35.7383 0.490934 26.4443 3.45101 4.02739 TIMING: 2434200 CPU: 7693.21, 0.003174/step Wall: 7693.21, 0.003174/step, 2.26218 hours remaining, 238.613281 MB of memory in use. ENERGY: 2434200 4032.8096 20313.9516 14492.5209 247.8306 -203225.5153 2310.1801 0.0000 0.0000 52187.7138 -109640.5088 299.9235 -161828.2226 -109278.9862 298.7819 -109.4154 -76.6747 761450.1613 11.3960 11.5414 PRESSURE: 2434400 212.963 -37.5348 -93.0627 -37.5351 355.165 110.711 -93.0615 110.71 19.9448 GPRESSURE: 2434400 231.34 -49.9907 -54.3231 -13.592 382.668 29.6147 20.2928 -29.8854 66.6024 PRESSAVG: 2434400 17.289 -43.7965 -0.79811 -43.7965 -30.2729 47.8593 -0.798103 47.8594 -0.65457 GPRESSAVG: 2434400 17.4721 -43.4779 -1.51322 -41.2346 -30.1877 48.0022 -0.159423 46.292 -0.411722 TIMING: 2434400 CPU: 7693.85, 0.00317542/step Wall: 7693.85, 0.00317542/step, 2.26301 hours remaining, 238.613281 MB of memory in use. ENERGY: 2434400 3906.2906 20435.7896 14500.6655 249.1493 -203738.9128 2885.2511 0.0000 0.0000 52046.1291 -109715.6376 299.1098 -161761.7667 -109354.6401 298.3963 196.0244 226.8704 760062.1091 -4.5462 -4.3758 PRESSURE: 2434600 -59.531 -38.5338 -169.756 -38.5342 -118.087 35.7329 -169.756 35.7329 -288.464 GPRESSURE: 2434600 -5.10781 0.103315 -116.076 -44.4731 -128.555 71.0973 -218.621 35.2637 -266.925 PRESSAVG: 2434600 32.0072 -30.8795 -8.45099 -30.8794 -52.5693 45.7762 -8.45102 45.7763 -6.39135 GPRESSAVG: 2434600 32.2004 -31.9656 -7.11031 -29.85 -50.7089 45.9515 -7.57135 46.7479 -7.87914 TIMING: 2434600 CPU: 7694.49, 0.0031836/step Wall: 7694.49, 0.0031836/step, 2.26867 hours remaining, 238.613281 MB of memory in use. ENERGY: 2434600 3907.8132 20415.3668 14491.2345 233.9596 -203102.7005 2353.5701 0.0000 0.0000 52080.4357 -109620.3206 299.3070 -161700.7563 -109253.1001 299.0043 -155.3604 -133.5293 761145.9103 -8.9845 -8.7959 PRESSURE: 2434800 13.4159 -48.2142 -125.947 -48.2148 -128.36 -166.19 -125.947 -166.19 -65.2858 GPRESSURE: 2434800 29.7883 -64.3413 -96.6535 -84.1388 -72.3685 -106.197 -205.744 -119.125 -46.96 PRESSAVG: 2434800 26.1198 9.31174 3.44423 9.31177 10.6761 -13.546 3.44424 -13.5461 -28.0951 GPRESSAVG: 2434800 25.5695 10.7961 2.6486 8.0946 10.1424 -13.51 2.44566 -12.5795 -27.2342 TIMING: 2434800 CPU: 7695.12, 0.003169/step Wall: 7695.12, 0.003169/step, 2.25809 hours remaining, 238.613281 MB of memory in use. ENERGY: 2434800 3938.7087 20630.1706 14456.5788 262.2577 -203150.3578 2440.0951 0.0000 0.0000 52008.3918 -109414.1551 298.8929 -161422.5469 -109049.6552 299.1172 -60.0767 -29.8467 760983.7333 2.9003 2.8259 PRESSURE: 2435000 38.9507 134.744 138.405 134.744 136.907 384.263 138.405 384.263 472.314 GPRESSURE: 2435000 63.8877 33.8197 149.265 78.8078 171.884 331.276 231.712 348.25 499.232 PRESSAVG: 2435000 70.0818 -13.037 -15.1902 -13.0369 -21.4988 -7.11998 -15.1902 -7.12006 -13.6055 GPRESSAVG: 2435000 69.36 -15.1799 -16.628 -12.0575 -20.6768 -6.67329 -13.8536 -6.23025 -13.4069 TIMING: 2435000 CPU: 7695.75, 0.00317532/step Wall: 7695.75, 0.00317532/step, 2.26242 hours remaining, 238.613281 MB of memory in use. ENERGY: 2435000 3976.8951 20514.2053 14447.7135 252.9775 -203555.9254 2809.9583 0.0000 0.0000 52255.5083 -109298.6675 300.3131 -161554.1758 -108935.6276 299.2712 216.0575 245.0012 758590.0776 11.6592 11.7588 PRESSURE: 2435200 -69.6585 240.566 34.2333 240.566 -162.165 23.4854 34.2333 23.4851 375.655 GPRESSURE: 2435200 -10.2548 122.734 74.2253 189.327 -136.221 11.1322 -16.2911 68.7413 387.652 PRESSAVG: 2435200 67.7602 29.5911 6.8407 29.591 -23.4414 -3.21981 6.84069 -3.21979 2.05632 GPRESSAVG: 2435200 67.5274 28.6538 7.36463 29.1498 -22.6767 -4.16788 5.22695 -4.79589 1.40953 TIMING: 2435200 CPU: 7696.39, 0.00315715/step Wall: 7696.39, 0.00315715/step, 2.24929 hours remaining, 238.613281 MB of memory in use. ENERGY: 2435200 4007.5626 20697.6763 14497.3335 274.8585 -203221.7840 2450.5759 0.0000 0.0000 52005.5901 -109288.1871 298.8768 -161293.7772 -108935.4471 299.7445 47.9441 80.3921 760254.5873 15.4584 15.4201 PRESSURE: 2435400 -59.811 -160.338 -159.715 -160.337 112.725 -142.726 -159.715 -142.725 -78.2753 GPRESSURE: 2435400 -31.6357 -55.1183 -169.36 -211.375 98.1155 -26.5058 -154.183 -255.488 -23.9272 PRESSAVG: 2435400 39.2059 43.8989 9.4861 43.8989 -14.8658 37.3335 9.48608 37.3334 3.01044 GPRESSAVG: 2435400 40.6835 45.0036 11.7736 43.1952 -16.0096 38.9689 10.1423 39.9658 3.08359 TIMING: 2435400 CPU: 7697.02, 0.00318442/step Wall: 7697.02, 0.00318442/step, 2.26854 hours remaining, 238.613281 MB of memory in use. ENERGY: 2435400 3934.9671 20593.9122 14509.8977 255.8015 -203025.5041 2282.2751 0.0000 0.0000 52250.2462 -109198.4041 300.2829 -161448.6503 -108823.3987 299.7091 -8.4537 14.1842 759560.1561 9.1168 9.2525 PRESSURE: 2435600 -257.114 -18.045 23.7076 -18.0444 -59.0787 31.3722 23.708 31.3726 -111.144 GPRESSURE: 2435600 -139.503 -10.4667 -16.758 -0.754064 -24.0887 39.0817 7.16464 145.119 -196.052 PRESSAVG: 2435600 44.921 -24.7887 18.562 -24.7887 -13.6791 -5.78461 18.562 -5.78456 -4.21054 GPRESSAVG: 2435600 45.0824 -23.9911 15.6106 -22.4015 -14.0689 -7.14939 18.9342 -7.56085 -3.33927 TIMING: 2435600 CPU: 7697.66, 0.00318351/step Wall: 7697.66, 0.00318351/step, 2.26772 hours remaining, 238.613281 MB of memory in use. ENERGY: 2435600 3965.7059 20556.6644 14538.1768 244.7470 -202917.4709 2482.6873 0.0000 0.0000 52019.9831 -109109.5065 298.9596 -161129.4895 -108744.6893 299.4759 -142.4459 -119.8811 760120.4800 9.0104 9.2247 PRESSURE: 2435800 -299.555 -118.147 73.9316 -118.148 -479.053 9.33126 73.9317 9.32972 -258.424 GPRESSURE: 2435800 -420.241 -49.3671 212.311 9.10972 -375.001 -47.7659 31.0063 184.42 -171.862 PRESSAVG: 2435800 -55.5789 -62.5061 9.86718 -62.5062 46.4615 67.6276 9.86715 67.6276 16.4348 GPRESSAVG: 2435800 -56.7585 -62.4519 11.1089 -65.0303 47.6044 68.7775 8.56125 67.9169 16.3878 TIMING: 2435800 CPU: 7698.3, 0.00318478/step Wall: 7698.3, 0.00318478/step, 2.26845 hours remaining, 238.613281 MB of memory in use. ENERGY: 2435800 3944.1352 20533.4161 14411.8268 253.7380 -202729.2765 2265.3275 0.0000 0.0000 52219.1831 -109101.6499 300.1044 -161320.8330 -108734.9605 300.3001 -345.6775 -322.3682 760826.3335 2.4392 2.4113 PRESSURE: 2436000 -310.51 -210.454 -196.406 -210.453 -238.146 -156.797 -196.406 -156.798 -256.889 GPRESSURE: 2436000 -204.904 -156.86 -194.373 -188.535 -280.348 -72.3925 -114.805 28.5328 -225.803 PRESSAVG: 2436000 49.94 -60.2185 15.5172 -60.2185 -34.4061 11.6771 15.5172 11.6772 2.29854 GPRESSAVG: 2436000 51.7512 -60.6313 16.7408 -56.228 -36.1674 13.2141 17.0273 10.7905 2.36402 TIMING: 2436000 CPU: 7698.93, 0.003167/step Wall: 7698.93, 0.00316699/step, 2.2556 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2436000 3939.6660 20634.7875 14430.9141 241.6556 -202609.4090 2211.8768 0.0000 0.0000 52082.4136 -109068.0954 299.3183 -161150.5091 -108707.8862 299.9831 -268.5149 -237.0184 761054.8285 5.9442 5.9826 PRESSURE: 2436200 133.039 152.494 -179.084 152.495 85.9081 6.12794 -179.085 6.12663 354.328 GPRESSURE: 2436200 204.804 -102.879 -212.302 39.305 75.5257 26.7135 -164.735 17.5692 364.466 PRESSAVG: 2436200 27.1997 -48.3011 -25.8193 -48.301 -63.2678 -3.58148 -25.8193 -3.58145 0.858695 GPRESSAVG: 2436200 25.8381 -50.3142 -26.8852 -52.2338 -62.0096 -6.6624 -24.9517 -3.91247 0.621462 TIMING: 2436200 CPU: 7699.57, 0.0031915/step Wall: 7699.57, 0.0031915/step, 2.27288 hours remaining, 238.613281 MB of memory in use. ENERGY: 2436200 3835.3050 20536.1142 14472.0381 238.9948 -202992.6434 2795.3303 0.0000 0.0000 52088.0773 -109026.7838 299.3509 -161114.8611 -108662.0826 299.7869 191.0918 214.9322 761802.6699 -11.7365 -11.8500 LDB: ============= START OF LOAD BALANCING ============== 7711.97 LDB: ============== END OF LOAD BALANCING =============== 7711.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7711.97 LDB: ============= START OF LOAD BALANCING ============== 7712.29 LDB: Largest compute 7025 load 0.032844 is 16.8% of average load 0.196015 LDB: Average compute 0.004378 is 2.2% of average load 0.196015 LDB: TIME 7712.29 LOAD: AVG 0.196015 MAX 0.221335 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7712.29 LOAD: AVG 0.196015 MAX 0.221335 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7712.29 LOAD: AVG 0.196015 MAX 0.217213 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7712.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7712.3 PRESSURE: 2436400 56.5117 -67.3036 9.48224 -67.3036 84.0213 12.7608 9.48185 12.761 -180.172 GPRESSURE: 2436400 214.135 42.1834 -67.9244 4.18261 85.8198 61.3282 63.0141 -13.9866 -258.531 PRESSAVG: 2436400 52.057 -26.6526 -36.0831 -26.6526 -27.3742 62.2132 -36.0832 62.2133 23.842 GPRESSAVG: 2436400 52.3269 -26.4182 -35.9342 -25.7013 -27.8832 64.3391 -36.8729 62.6248 23.6658 TIMING: 2436400 CPU: 7700.22, 0.00324548/step Wall: 7700.22, 0.00324548/step, 2.31114 hours remaining, 239.125000 MB of memory in use. ENERGY: 2436400 3958.4739 20434.8010 14425.7862 244.3128 -202826.3200 2579.1530 0.0000 0.0000 52071.8950 -109111.8980 299.2579 -161183.7930 -108739.3782 300.0629 -13.2131 13.8081 762243.1856 16.1749 16.0365 PRESSURE: 2436600 89.1698 16.4965 156.328 16.4962 19.1434 1.65587 156.329 1.65512 415.84 GPRESSURE: 2436600 125.483 -106.371 158.015 27.845 71.943 30.2667 205.711 27.3554 418.447 PRESSAVG: 2436600 30.5417 3.3479 -8.38776 3.34782 -19.6669 26.4048 -8.38773 26.4048 14.0925 GPRESSAVG: 2436600 29.8597 5.20546 -8.01823 3.22992 -18.616 26.3127 -6.87244 25.392 13.7964 TIMING: 2436600 CPU: 7700.85, 0.00315884/step Wall: 7700.85, 0.00315884/step, 2.24927 hours remaining, 239.125000 MB of memory in use. ENERGY: 2436600 3957.1639 20393.8908 14398.0515 250.0492 -203243.3032 2685.1768 0.0000 0.0000 52462.9518 -109096.0191 301.5053 -161558.9710 -108735.5434 299.5480 174.7177 205.2911 760987.2006 8.3224 8.3467 PRESSURE: 2436800 24.8869 148.515 -240.684 148.516 67.2462 119.233 -240.684 119.233 27.9515 GPRESSURE: 2436800 108.848 177.174 -231.01 255.052 95.0611 81.3645 -149.211 135.769 5.33813 PRESSAVG: 2436800 35.2651 -9.63542 -13.5504 -9.63548 -13.6593 -6.32267 -13.5503 -6.32268 -7.79559 GPRESSAVG: 2436800 35.6227 -10.5253 -13.5128 -9.74611 -14.7934 -8.81836 -18.34 -6.01199 -7.1665 TIMING: 2436800 CPU: 7701.48, 0.00316649/step Wall: 7701.48, 0.00316649/step, 2.25454 hours remaining, 239.125000 MB of memory in use. ENERGY: 2436800 4020.6125 20425.9658 14439.1827 253.2780 -202928.0009 2605.3891 0.0000 0.0000 52126.5162 -109057.0566 299.5718 -161183.5728 -108682.9336 300.2275 40.0282 69.7491 760182.5136 4.6034 4.5543 PRESSURE: 2437000 68.6056 139.224 -188.977 139.223 -21.5005 -142.552 -188.975 -142.554 63.8979 GPRESSURE: 2437000 97.7638 134.984 -232.425 29.3404 -5.19425 -186.072 -61.0602 12.6712 105.394 PRESSAVG: 2437000 32.5913 -33.2308 -15.9956 -33.2308 -65.6786 18.4469 -15.9955 18.4469 -6.44674 GPRESSAVG: 2437000 32.1468 -33.9356 -16.1821 -32.7944 -64.5828 20.7588 -11.0343 18.8924 -6.81523 TIMING: 2437000 CPU: 7702.12, 0.00318656/step Wall: 7702.12, 0.00318656/step, 2.26866 hours remaining, 239.125000 MB of memory in use. ENERGY: 2437000 4005.0350 20457.5349 14499.6223 234.8474 -203267.5082 2819.3825 0.0000 0.0000 52048.2136 -109202.8726 299.1218 -161251.0862 -108845.0782 300.0112 37.0010 65.9878 761836.0657 -13.1780 -13.0837 PRESSURE: 2437200 -229.763 -5.01241 88.2421 -5.01246 -285.303 -79.4093 88.2429 -79.4087 274.586 GPRESSURE: 2437200 -276.429 -33.3099 33.5305 51.6591 -161.818 -36.1343 39.1774 -79.663 266.572 PRESSAVG: 2437200 20.2117 10.1653 -25.7551 10.1652 -18.2176 -10.3399 -25.755 -10.34 -0.16962 GPRESSAVG: 2437200 21.1588 9.39267 -24.1886 9.91509 -19.5239 -12.3857 -28.0351 -8.49047 -0.0261761 TIMING: 2437200 CPU: 7702.76, 0.00319571/step Wall: 7702.76, 0.00319571/step, 2.27499 hours remaining, 239.125000 MB of memory in use. ENERGY: 2437200 3971.7818 20534.6188 14452.3997 252.1217 -203282.7740 2640.5394 0.0000 0.0000 52131.1234 -109300.1893 299.5983 -161431.3127 -108938.2907 299.1480 -80.1601 -57.2253 762694.1299 0.6082 0.5363 PRESSURE: 2437400 -42.7591 -81.9702 -27.945 -81.9697 643.273 -138.922 -27.9447 -138.924 211.24 GPRESSURE: 2437400 16.6333 -93.8711 72.125 5.75978 612.652 -154.26 55.1831 -140.816 245.153 PRESSAVG: 2437400 60.1405 -7.19069 -15.0172 -7.19069 -15.9513 -7.8623 -15.0172 -7.86237 -9.99999 GPRESSAVG: 2437400 59.5896 -7.68736 -15.0097 -6.6719 -15.2138 -4.81591 -13.9337 -12.1704 -10.2356 TIMING: 2437400 CPU: 7703.39, 0.00318065/step Wall: 7703.39, 0.00318065/step, 2.2641 hours remaining, 239.125000 MB of memory in use. ENERGY: 2437400 3937.5110 20431.9747 14483.3632 256.3751 -203418.2440 2620.9711 0.0000 0.0000 52400.4264 -109287.6225 301.1460 -161688.0490 -108914.3874 299.6698 270.5849 291.4796 760822.5144 11.3964 11.3801 PRESSURE: 2437600 176.993 57.756 -20.1806 57.7562 -86.3314 -33.6048 -20.1808 -33.6061 -166.835 GPRESSURE: 2437600 256.695 120.037 30.6313 96.844 -67.4456 32.6383 111.827 44.7186 -171.329 PRESSAVG: 2437600 51.8557 -4.99076 9.76386 -4.99085 -11.7853 -17.966 9.76389 -17.966 -1.04506 GPRESSAVG: 2437600 50.559 -2.0044 9.44751 -7.7031 -12.1899 -18.2096 10.8058 -17.3733 0.717069 TIMING: 2437600 CPU: 7704.03, 0.00319806/step Wall: 7704.03, 0.00319806/step, 2.27631 hours remaining, 239.125000 MB of memory in use. ENERGY: 2437600 4032.0380 20595.1753 14457.5301 230.2533 -203338.8262 2692.5210 0.0000 0.0000 52120.1750 -109211.1335 299.5354 -161331.3085 -108851.0600 299.8199 -25.3909 5.9735 762774.3479 13.0085 13.0288 PRESSURE: 2437800 -211.181 16.0396 32.4863 16.04 412.146 -33.0025 32.4865 -33.0021 -57.5978 GPRESSURE: 2437800 -160.458 46.9157 63.9162 150.03 380.03 11.6589 26.0846 -82.4201 5.62723 PRESSAVG: 2437800 54.0339 13.7637 -16.9798 13.7637 -43.6376 71.9702 -16.9798 71.9702 5.2175 GPRESSAVG: 2437800 55.6782 13.3765 -17.1372 15.0546 -42.8024 70.166 -19.8374 73.5452 3.2103 TIMING: 2437800 CPU: 7704.67, 0.00318127/step Wall: 7704.67, 0.00318127/step, 2.26418 hours remaining, 239.125000 MB of memory in use. ENERGY: 2437800 3966.8167 20432.8595 14488.5901 251.3060 -203272.3620 2647.5135 0.0000 0.0000 52285.4534 -109199.8228 300.4852 -161485.2761 -108828.9400 299.7623 47.7890 75.0664 761259.6145 5.2046 5.3621 PRESSURE: 2438000 68.6032 97.6188 29.2328 97.6183 -377.397 -25.568 29.2335 -25.5679 -87.9004 GPRESSURE: 2438000 115.133 142.906 -20.6228 62.2283 -340.628 -13.9651 158.528 -13.0364 -95.1679 PRESSAVG: 2438000 55.185 12.2977 14.6777 12.2976 -45.1555 27.9746 14.6777 27.9747 -1.47026 GPRESSAVG: 2438000 55.4118 10.9308 15.6243 11.8868 -45.9585 26.5748 14.2319 30.6001 -1.44879 TIMING: 2438000 CPU: 7705.31, 0.00319164/step Wall: 7705.31, 0.00319164/step, 2.27139 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2438000 3995.6567 20668.6084 14499.9933 242.6605 -203133.1564 2509.8504 0.0000 0.0000 51841.3791 -109375.0081 297.9331 -161216.3872 -109014.4853 299.6662 -132.2315 -106.8875 762039.5443 2.8531 2.6682 PRESSURE: 2438200 -41.0543 25.5418 124.077 25.5417 -107.017 -12.4717 124.077 -12.4729 681.846 GPRESSURE: 2438200 -45.4277 -14.1036 62.7513 1.89023 38.6678 14.5029 246.234 60.5887 592.359 PRESSAVG: 2438200 0.724944 -22.6759 29.9041 -22.6759 -5.91671 -37.3799 29.9042 -37.3799 18.8249 GPRESSAVG: 2438200 -0.0745188 -21.4595 28.1464 -22.9393 -4.71966 -36.2473 31.0856 -37.6899 18.2301 TIMING: 2438200 CPU: 7705.94, 0.0031595/step Wall: 7705.94, 0.0031595/step, 2.24833 hours remaining, 239.125000 MB of memory in use. ENERGY: 2438200 4011.6591 20521.5994 14374.6909 243.3152 -202846.7598 2216.4133 0.0000 0.0000 52076.9904 -109402.0914 299.2872 -161479.0818 -109047.8724 299.2905 177.9249 195.1998 762624.5941 4.5444 4.4787 PRESSURE: 2438400 -568.351 120.028 -34.866 120.027 60.5508 -226.495 -34.8659 -226.495 -148.738 GPRESSURE: 2438400 -442.111 103.439 81.1224 27.3443 -34.23 -179.926 -69.3786 -179.343 -91.1082 PRESSAVG: 2438400 42.5302 -42.0486 15.0967 -42.0485 -39.9409 0.664012 15.0967 0.663961 -17.2789 GPRESSAVG: 2438400 42.1836 -42.374 16.9353 -41.9442 -40.245 0.695229 15.3484 -0.113433 -16.8442 TIMING: 2438400 CPU: 7706.57, 0.00316125/step Wall: 7706.57, 0.00316125/step, 2.2494 hours remaining, 239.125000 MB of memory in use. ENERGY: 2438400 3910.5111 20530.0905 14484.5542 252.9437 -203142.3768 2444.1882 0.0000 0.0000 52024.5826 -109495.5066 298.9860 -161520.0892 -109146.0170 299.1618 -218.8463 -189.1497 762091.0030 -4.8965 -4.9686 PRESSURE: 2438600 -140.161 -21.7986 20.6593 -21.799 -5.78917 246.248 20.6596 246.247 -38.05 GPRESSURE: 2438600 -78.3081 -88.0537 24.4284 -2.70814 2.95897 163.804 6.5085 217.46 -45.5395 PRESSAVG: 2438600 -0.509112 -78.6821 -15.2956 -78.6821 -4.40611 11.0561 -15.2956 11.0562 5.27829 GPRESSAVG: 2438600 -0.0703317 -80.4312 -16.4523 -76.1225 -5.11519 11.4467 -16.3412 10.5674 5.4435 TIMING: 2438600 CPU: 7707.21, 0.00317464/step Wall: 7707.21, 0.00317464/step, 2.25876 hours remaining, 239.125000 MB of memory in use. ENERGY: 2438600 3901.7397 20552.4589 14379.4171 254.9743 -202924.3808 2266.6198 0.0000 0.0000 51827.5713 -109741.5997 297.8538 -161569.1710 -109376.2814 298.8567 -61.3332 -40.2962 760334.3826 0.1210 0.0860 PRESSURE: 2438800 -139.256 -82.3921 -353.074 -82.3928 197.76 -108.899 -353.073 -108.899 -301.386 GPRESSURE: 2438800 -108.39 -64.6036 -235.298 -113.942 179.05 -47.6297 -380.03 -116.987 -241.593 PRESSAVG: 2438800 -11.4941 -59.8694 -19.3433 -59.8694 6.67042 45.9091 -19.3433 45.9091 11.0905 GPRESSAVG: 2438800 -12.1368 -57.2684 -19.6324 -62.5324 6.55219 46.6529 -17.1242 45.9778 11.7424 TIMING: 2438800 CPU: 7707.84, 0.00316767/step Wall: 7707.84, 0.00316767/step, 2.25362 hours remaining, 239.125000 MB of memory in use. ENERGY: 2438800 3938.8814 20488.0869 14452.0010 263.8120 -203556.7971 2770.5223 0.0000 0.0000 52023.4000 -109620.0935 298.9792 -161643.4935 -109260.6521 298.7505 -80.9605 -56.9776 761810.7291 2.0889 2.0526 PRESSURE: 2439000 153.196 -214.782 23.4648 -214.781 -364.431 147.75 23.4651 147.75 284.433 GPRESSURE: 2439000 206.912 -252.957 57.3206 -190.334 -227.284 199.074 -33.3132 72.1575 187.199 PRESSAVG: 2439000 18.2388 -67.5596 20.8628 -67.5596 -53.8692 16.2556 20.8627 16.2557 -10.7103 GPRESSAVG: 2439000 19.0107 -70.3396 21.7509 -66.6519 -54.3333 14.8404 17.7839 15.8721 -10.4748 TIMING: 2439000 CPU: 7708.47, 0.00315971/step Wall: 7708.47, 0.00315971/step, 2.24779 hours remaining, 239.125000 MB of memory in use. ENERGY: 2439000 4027.1577 20418.7314 14390.7924 234.9022 -203481.0797 2625.2562 0.0000 0.0000 52169.5531 -109614.6866 299.8191 -161784.2397 -109247.2554 298.6332 24.3994 55.6089 762277.7741 -15.4469 -15.2658 PRESSURE: 2439200 400.614 142.551 109.622 142.552 59.1802 -160.107 109.621 -160.107 94.3657 GPRESSURE: 2439200 297.071 119.167 131.094 119.64 196.518 -170.479 42.5114 -104.599 161.326 PRESSAVG: 2439200 57.485 -40.9356 -7.84898 -40.9356 -45.6062 25.8053 -7.84901 25.8053 -6.80806 GPRESSAVG: 2439200 56.6735 -39.8963 -8.81684 -40.8445 -44.6441 27.1135 -5.90717 25.1431 -7.08917 TIMING: 2439200 CPU: 7709.1, 0.00315652/step Wall: 7709.1, 0.00315652/step, 2.24534 hours remaining, 239.125000 MB of memory in use. ENERGY: 2439200 3935.2485 20456.7328 14439.1009 247.2893 -203526.0386 2842.5187 0.0000 0.0000 52008.6142 -109596.5341 298.8942 -161605.1482 -109235.6998 299.0690 184.7200 218.3050 760895.0675 1.6903 1.6467 PRESSURE: 2439400 27.9829 215.499 34.6375 215.499 140.316 43.3033 34.6372 43.3025 -613.32 GPRESSURE: 2439400 71.3075 174.443 50.1639 157.357 153.708 -14.1214 38.7261 54.5991 -572.559 PRESSAVG: 2439400 6.29248 -20.5038 -4.70638 -20.5038 14.6866 -40.7423 -4.70643 -40.7424 0.100463 GPRESSAVG: 2439400 7.23341 -20.7378 -5.19571 -19.5867 15.1037 -40.6561 -4.57096 -40.6252 -0.846896 TIMING: 2439400 CPU: 7709.74, 0.0031669/step Wall: 7709.74, 0.0031669/step, 2.25255 hours remaining, 239.125000 MB of memory in use. ENERGY: 2439400 3964.6582 20439.7621 14448.3684 230.1050 -203272.1998 2430.6060 0.0000 0.0000 52153.1513 -109605.5488 299.7249 -161758.7001 -109248.7017 298.5302 -148.3401 -115.8479 760746.4624 7.0265 7.1634 PRESSURE: 2439600 144.334 172.28 -50.8715 172.279 -330.894 -166.081 -50.8712 -166.08 -58.3499 GPRESSURE: 2439600 124.708 128.085 -13.8536 139.044 -253.803 -116.613 -45.9899 -153.762 -37.011 PRESSAVG: 2439600 29.1274 -9.73218 7.25911 -9.73219 -32.8493 34.8928 7.25916 34.8929 7.51965 GPRESSAVG: 2439600 29.1737 -8.21528 7.76716 -11.7432 -33.9331 34.8499 6.49963 36.2484 8.60752 TIMING: 2439600 CPU: 7710.37, 0.00317093/step Wall: 7710.37, 0.00317093/step, 2.25523 hours remaining, 239.125000 MB of memory in use. ENERGY: 2439600 3987.9364 20350.0680 14501.7588 223.0700 -203165.2845 2511.6828 0.0000 0.0000 52019.6922 -109571.0762 298.9579 -161590.7684 -109212.7433 299.1081 -81.6365 -55.3688 761939.3331 1.2659 1.2827 PRESSURE: 2439800 -362.234 -97.5973 38.0248 -97.5977 -229.287 -19.7654 38.0249 -19.7651 81.5926 GPRESSURE: 2439800 -346.176 -90.9124 20.2097 -96.5263 -223.326 -72.5755 26.5355 -6.81912 133.019 PRESSAVG: 2439800 24.3209 -9.34816 10.4008 -9.34819 -47.3901 -7.92291 10.4008 -7.92293 3.44685 GPRESSAVG: 2439800 23.9021 -11.1217 10.2431 -8.07975 -48.1715 -7.80941 9.30755 -9.86197 5.0097 TIMING: 2439800 CPU: 7711.01, 0.00316929/step Wall: 7711.01, 0.00316929/step, 2.25389 hours remaining, 239.125000 MB of memory in use. ENERGY: 2439800 3926.6081 20297.6033 14498.3868 227.8003 -203479.9289 2625.7040 0.0000 0.0000 52486.3711 -109417.4552 301.6399 -161903.8263 -109049.7112 299.3280 -169.9760 -145.4941 761367.7019 -6.5408 -6.4199 PRESSURE: 2440000 -125.887 -108.605 -235.063 -108.607 -80.2274 87.2752 -235.063 87.2747 250.757 GPRESSURE: 2440000 3.01905 -77.6327 -291.924 -125.688 -39.8426 76.4117 -97.1875 -79.8766 149.699 PRESSAVG: 2440000 -3.08628 19.6576 -17.0838 19.6576 2.42953 -53.1411 -17.0839 -53.1412 -19.8093 GPRESSAVG: 2440000 -2.20645 21.5114 -18.9819 18.6468 3.4875 -54.0984 -13.5077 -53.5844 -21.5381 TIMING: 2440000 CPU: 7711.64, 0.00316464/step Wall: 7711.64, 0.00316464/step, 2.25041 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2440000 4037.2896 20596.2133 14443.3052 222.0723 -203235.3587 2450.2610 0.0000 0.0000 51981.3547 -109504.8626 298.7376 -161486.2173 -109142.3395 299.3548 14.8808 37.6253 761676.7198 -6.8220 -6.7524 PRESSURE: 2440200 117.954 -66.9256 119.289 -66.9254 37.9786 -83.6646 119.289 -83.6647 -80.3757 GPRESSURE: 2440200 120.64 -104.257 4.49475 -14.064 36.0782 -206.137 200.534 -1.48339 -6.88093 PRESSAVG: 2440200 61.1524 10.7328 -32.0852 10.7328 -46.9639 -0.557779 -32.0852 -0.557809 11.5249 GPRESSAVG: 2440200 60.0796 10.2359 -30.0937 10.2195 -47.3736 -0.787388 -35.0037 1.24871 13.0493 TIMING: 2440200 CPU: 7712.27, 0.00316407/step Wall: 7712.27, 0.00316407/step, 2.24983 hours remaining, 239.125000 MB of memory in use. ENERGY: 2440200 3886.4572 20419.4171 14464.3015 264.8721 -203380.1956 2646.9546 0.0000 0.0000 51937.7854 -109760.4079 298.4872 -161698.1932 -109392.6715 298.4386 25.1857 49.9459 761541.2634 8.5711 8.5851 LDB: ============= START OF LOAD BALANCING ============== 7724.67 LDB: ============== END OF LOAD BALANCING =============== 7724.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7724.67 LDB: ============= START OF LOAD BALANCING ============== 7724.99 LDB: Largest compute 7045 load 0.034765 is 17.7% of average load 0.195938 LDB: Average compute 0.004392 is 2.2% of average load 0.195938 LDB: TIME 7725 LOAD: AVG 0.195938 MAX 0.216563 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7725 LOAD: AVG 0.195938 MAX 0.216563 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7725 LOAD: AVG 0.195938 MAX 0.216563 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7725 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7725 PRESSURE: 2440400 153.274 76.516 268.88 76.516 151.552 73.7501 268.88 73.7499 -254.416 GPRESSURE: 2440400 169.627 119.242 233.433 152.562 143.745 -8.30015 335.442 43.6709 -187.953 PRESSAVG: 2440400 32.2627 -59.1116 16.893 -59.1116 -20.9009 -18.7464 16.8931 -18.7464 -22.4309 GPRESSAVG: 2440400 33.2108 -59.1707 15.694 -58.8149 -21.339 -18.2478 17.9001 -20.0468 -23.1188 TIMING: 2440400 CPU: 7712.92, 0.00323983/step Wall: 7712.92, 0.00323983/step, 2.30352 hours remaining, 237.843750 MB of memory in use. ENERGY: 2440400 3974.5115 20447.5526 14393.5884 253.7025 -203140.9178 2552.1591 0.0000 0.0000 51927.6409 -109591.7628 298.4289 -161519.4037 -109241.8890 298.7854 16.8032 41.8065 760938.1269 -3.6897 -3.7490 PRESSURE: 2440600 3.74798 19.3709 -373.238 19.3703 100.509 -61.111 -373.238 -61.1128 270.735 GPRESSURE: 2440600 148.699 3.03565 -368.428 79.7489 170.234 -25.6123 -285.707 -48.3004 152.893 PRESSAVG: 2440600 4.45448 -51.7409 33.6365 -51.7409 -33.2345 -15.8289 33.6365 -15.8289 -1.67488 GPRESSAVG: 2440600 4.37747 -52.8564 35.134 -51.1133 -32.7929 -14.0757 33.715 -14.4122 -2.0477 TIMING: 2440600 CPU: 7713.55, 0.00315437/step Wall: 7713.55, 0.00315437/step, 2.24258 hours remaining, 237.843750 MB of memory in use. ENERGY: 2440600 3973.7779 20529.5398 14461.2192 230.2481 -203276.4445 2568.3088 0.0000 0.0000 52061.6777 -109451.6730 299.1992 -161513.3508 -109089.5054 299.0025 124.9975 157.2754 759828.1743 -10.1516 -10.1544 PRESSURE: 2440800 -24.3862 29.5955 202.028 29.5949 -227.065 -82.777 202.027 -82.7763 -314.63 GPRESSURE: 2440800 -123.27 143.406 121.095 33.3758 -144.881 -122.202 44.0601 -220.476 -216.442 PRESSAVG: 2440800 8.80703 -8.82707 27.3261 -8.82703 8.63753 -31.0325 27.3261 -31.0325 -3.18987 GPRESSAVG: 2440800 7.75592 -9.81368 25.7894 -9.37797 10.0594 -31.4657 26.2159 -33.3231 -3.50939 TIMING: 2440800 CPU: 7714.18, 0.00315786/step Wall: 7714.18, 0.00315786/step, 2.24489 hours remaining, 237.843750 MB of memory in use. ENERGY: 2440800 4017.5797 20407.4366 14479.2140 235.9304 -203254.5185 2778.7186 0.0000 0.0000 52140.0930 -109195.5462 299.6498 -161335.6392 -108834.5921 300.0161 -188.6937 -161.5309 762146.8959 4.7516 4.7686 PRESSURE: 2441000 -305.092 14.0743 194.744 14.0737 -281.837 84.0534 194.744 84.0539 -55.2131 GPRESSURE: 2441000 -263.51 13.4994 59.1289 -13.5923 -243.479 182.602 151.132 182.942 -75.2759 PRESSAVG: 2441000 8.27057 -19.9934 -17.6785 -19.9933 10.2641 78.289 -17.6786 78.289 -16.8394 GPRESSAVG: 2441000 7.57457 -17.0305 -16.874 -20.3827 9.35987 79.782 -18.9684 80.5001 -15.8663 TIMING: 2441000 CPU: 7714.82, 0.00318155/step Wall: 7714.82, 0.00318155/step, 2.26155 hours remaining, 237.843750 MB of memory in use. ENERGY: 2441000 3946.2485 20445.6813 14379.3851 224.2358 -203013.0424 2433.9841 0.0000 0.0000 52103.5038 -109480.0038 299.4396 -161583.5076 -109123.7325 299.2831 -214.0475 -194.0883 762356.4761 0.5651 0.3561 PRESSURE: 2441200 -94.9466 258.787 -106.446 258.788 6.92077 -226.647 -106.446 -226.646 -1.71148 GPRESSURE: 2441200 -43.5903 160.076 -89.5768 125.219 43.821 -81.21 -86.3994 -316.197 -17.4417 PRESSAVG: 2441200 -54.9766 -37.1705 -9.42017 -37.1704 21.9234 17.9436 -9.42018 17.9437 -5.42392 GPRESSAVG: 2441200 -55.1182 -38.9226 -9.06172 -37.1629 20.5943 16.4558 -5.33499 17.596 -4.12306 TIMING: 2441200 CPU: 7715.45, 0.0031709/step Wall: 7715.45, 0.0031709/step, 2.2538 hours remaining, 237.843750 MB of memory in use. ENERGY: 2441200 3990.1266 20426.5256 14437.9562 241.6528 -203249.5686 2584.8715 0.0000 0.0000 52105.1516 -109463.2843 299.4490 -161568.4359 -109092.4619 298.8680 -29.9124 -5.7370 760150.5436 -12.8257 -12.8823 PRESSURE: 2441400 -142.051 190.638 77.848 190.638 -489.23 -231.146 77.8486 -231.144 39.0817 GPRESSURE: 2441400 -91.5346 24.6482 117.525 153.421 -443.725 -234.998 -37.1646 -182.366 16.7749 PRESSAVG: 2441400 46.1242 16.3381 -19.6548 16.3382 -44.0749 -11.9874 -19.6548 -11.9874 -18.5074 GPRESSAVG: 2441400 46.9582 15.3184 -19.6088 16.6681 -43.3541 -11.6287 -22.2821 -12.2033 -19.9165 TIMING: 2441400 CPU: 7716.09, 0.00317852/step Wall: 7716.09, 0.00317852/step, 2.25904 hours remaining, 237.843750 MB of memory in use. ENERGY: 2441400 3939.9124 20583.8880 14494.2138 243.1468 -203525.8740 2707.9661 0.0000 0.0000 52039.4716 -109517.2753 299.0716 -161556.7469 -109160.4532 299.4427 -197.3995 -172.8282 760214.5180 -5.4860 -5.4375 PRESSURE: 2441600 174.097 -166.852 276.816 -166.852 189.642 79.633 276.816 79.633 285.273 GPRESSURE: 2441600 170.112 -258.74 291.003 -88.5319 209.366 203.58 178.023 -51.4958 346.32 PRESSAVG: 2441600 25.1727 -29.2509 -35.9993 -29.2509 -2.40875 -42.2384 -35.9993 -42.2383 32.8303 GPRESSAVG: 2441600 25.0332 -27.971 -35.9098 -30.5597 -2.62614 -41.9549 -36.2297 -43.4344 33.1725 TIMING: 2441600 CPU: 7716.73, 0.00319169/step Wall: 7716.73, 0.00319169/step, 2.26823 hours remaining, 237.843750 MB of memory in use. ENERGY: 2441600 3953.7134 20587.0098 14447.5156 250.7310 -203666.1644 2661.4849 0.0000 0.0000 52230.1208 -109535.5889 300.1672 -161765.7096 -109170.6862 299.2170 216.3373 241.9328 759676.7358 18.5314 18.5265 PRESSURE: 2441800 -64.3362 158.558 -217.527 158.559 -259.628 -133.996 -217.528 -133.995 159.303 GPRESSURE: 2441800 22.281 -44.6639 -201.077 72.8624 -240.495 -170.483 -329.975 -103.741 145.18 PRESSAVG: 2441800 37.6747 -37.5186 2.62002 -37.5186 -2.11889 12.7932 2.62004 12.7932 4.49764 GPRESSAVG: 2441800 38.0526 -36.1621 2.85541 -37.3242 -1.58519 11.3043 1.8205 15.4204 3.88957 TIMING: 2441800 CPU: 7717.36, 0.00318017/step Wall: 7717.36, 0.00318017/step, 2.25986 hours remaining, 237.843750 MB of memory in use. ENERGY: 2441800 4012.9916 20590.2492 14503.3696 265.9565 -203222.7455 2414.6055 0.0000 0.0000 51934.4250 -109501.1481 298.4679 -161435.5731 -109139.0896 299.3390 -54.8870 -24.3448 759928.3897 13.3512 13.4523 PRESSURE: 2442000 -177.034 43.7697 12.4467 43.7695 -110.554 198.277 12.4463 198.277 29.9904 GPRESSURE: 2442000 -102.478 0.780314 106.259 41.3288 -56.8358 146.76 25.4411 29.0444 2.56162 PRESSAVG: 2442000 -27.0325 -82.5334 29.7432 -82.5333 12.9995 5.73014 29.7431 5.73015 12.634 GPRESSAVG: 2442000 -26.8095 -82.7113 31.0502 -82.4214 12.876 5.71431 28.4644 2.46259 12.8853 TIMING: 2442000 CPU: 7717.99, 0.00315714/step Wall: 7717.99, 0.00315714/step, 2.24332 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2442000 3988.3246 20382.1307 14479.4734 262.6857 -203461.2325 2646.3496 0.0000 0.0000 52087.6991 -109614.5694 299.3487 -161702.2685 -109250.6390 299.2889 -85.8658 -52.2509 760612.1090 -0.4663 -0.3494 PRESSURE: 2442200 -40.1078 49.091 -10.6425 49.0903 25.6463 8.64929 -10.6424 8.64882 300.905 GPRESSURE: 2442200 14.2102 84.4064 -76.811 -89.8649 99.9749 88.8428 -94.2511 74.5654 233.647 PRESSAVG: 2442200 -37.046 13.1665 38.0092 13.1665 -1.09982 13.6806 38.0091 13.6806 -37.3427 GPRESSAVG: 2442200 -36.798 13.3112 36.6171 13.0563 -1.37612 13.1795 40.8376 16.6177 -37.6074 TIMING: 2442200 CPU: 7718.63, 0.00316944/step Wall: 7718.63, 0.00316945/step, 2.25189 hours remaining, 237.843750 MB of memory in use. ENERGY: 2442200 4113.2092 20550.4003 14487.3638 255.3521 -204039.9048 3053.0804 0.0000 0.0000 51835.4147 -109745.0843 297.8988 -161580.4990 -109396.2734 299.4225 95.4812 115.9440 760970.9107 -25.1628 -25.2605 PRESSURE: 2442400 -221.764 113.639 4.92403 113.64 -120.239 0.486289 4.92383 0.484742 -440.451 GPRESSURE: 2442400 -211.429 170.152 -54.1862 140.969 -157.41 -37.1653 -5.96773 -1.30181 -348.827 PRESSAVG: 2442400 61.7597 -4.96607 -14.2742 -4.96603 -42.3611 0.755265 -14.2742 0.755164 -7.03534 GPRESSAVG: 2442400 61.7371 -5.6759 -15.3784 -1.57691 -42.2079 0.735275 -14.7448 -0.781891 -6.57124 TIMING: 2442400 CPU: 7719.26, 0.00315369/step Wall: 7719.26, 0.00315369/step, 2.24052 hours remaining, 237.843750 MB of memory in use. ENERGY: 2442400 4052.3258 20553.7869 14425.5404 241.3986 -203181.2595 2088.1428 0.0000 0.0000 52006.1164 -109813.9485 298.8799 -161820.0649 -109446.1633 299.1852 -260.8182 -239.2217 761265.3344 4.1211 4.3193 PRESSURE: 2442600 -120.593 98.8896 122.401 98.8905 -88.4083 -4.46855 122.4 -4.46923 39.3226 GPRESSURE: 2442600 -12.3612 150.932 169.044 56.6769 -178.846 50.1222 171.351 -38.3785 110.252 PRESSAVG: 2442600 25.2129 -12.7783 -24.6993 -12.7784 -13.8228 16.142 -24.6993 16.1421 -13.4213 GPRESSAVG: 2442600 25.6775 -11.731 -22.9636 -13.8764 -13.5452 17.5403 -25.1063 14.8142 -14.036 TIMING: 2442600 CPU: 7719.89, 0.00315902/step Wall: 7719.89, 0.00315902/step, 2.24413 hours remaining, 237.843750 MB of memory in use. ENERGY: 2442600 3960.4196 20487.8624 14495.5692 257.6074 -203700.9452 2511.1017 0.0000 0.0000 52091.5231 -109896.8617 299.3707 -161988.3849 -109538.4530 298.6904 -56.5597 -26.9848 760054.1604 -0.6770 -0.6346 PRESSURE: 2442800 -86.3201 -41.4668 55.7306 -41.4662 -129.979 -18.8709 55.7305 -18.8717 -22.5152 GPRESSURE: 2442800 -58.9703 -70.693 16.0588 -3.25887 -119.581 -4.00794 98.3132 -142.261 25.0376 PRESSAVG: 2442800 20.2275 -57.8992 50.0136 -57.8991 1.55768 -28.7907 50.0136 -28.7907 13.4526 GPRESSAVG: 2442800 18.8301 -58.8036 49.0211 -57.6178 2.6142 -29.5622 50.2211 -28.45 14.012 TIMING: 2442800 CPU: 7720.52, 0.00314853/step Wall: 7720.52, 0.00314853/step, 2.23651 hours remaining, 237.843750 MB of memory in use. ENERGY: 2442800 3948.7544 20451.2668 14443.3878 235.7646 -203547.0524 2553.9911 0.0000 0.0000 52009.7474 -109904.1403 298.9007 -161913.8877 -109549.4944 298.4628 -79.6046 -51.1714 760983.8983 11.7459 11.8188 PRESSURE: 2443000 -24.9099 36.2703 -69.0679 36.27 -8.14123 -4.42596 -69.068 -4.4253 304.351 GPRESSURE: 2443000 -37.1439 -88.5598 -73.272 182.576 46.8525 77.1335 -27.7838 -97.4005 343.189 PRESSAVG: 2443000 -8.36574 4.98033 45.3689 4.98035 6.05574 38.0982 45.3688 38.0982 6.73689 GPRESSAVG: 2443000 -6.6396 4.47279 45.1887 5.22748 4.47268 37.9285 45.7701 37.6409 6.96467 TIMING: 2443000 CPU: 7721.15, 0.00317148/step Wall: 7721.15, 0.00317148/step, 2.25263 hours remaining, 237.843750 MB of memory in use. ENERGY: 2443000 3991.5901 20580.6664 14382.1893 239.4844 -203435.4704 2665.6884 0.0000 0.0000 51762.0596 -109813.7922 297.4773 -161575.8518 -109453.8298 298.0951 90.4332 117.6325 761629.6540 1.4756 1.5993 PRESSURE: 2443200 -49.3801 18.9838 148.449 18.9839 -191.611 79.176 148.449 79.1748 250.038 GPRESSURE: 2443200 46.5395 -26.7045 134.569 1.74604 -212.227 15.8744 107.456 90.4961 246.636 PRESSAVG: 2443200 37.5025 0.799429 64.475 0.799463 -48.7591 49.9224 64.475 49.9224 11.611 GPRESSAVG: 2443200 36.7982 1.54278 64.5128 -1.87061 -46.1893 50.6189 63.8917 49.9894 9.88399 TIMING: 2443200 CPU: 7721.79, 0.0031739/step Wall: 7721.79, 0.0031739/step, 2.25417 hours remaining, 237.843750 MB of memory in use. ENERGY: 2443200 3893.8343 20578.4819 14430.4215 257.3351 -202905.5030 2174.7947 0.0000 0.0000 51912.9373 -109657.6983 298.3444 -161570.6355 -109303.8455 298.5606 3.0157 26.9828 760997.8141 0.1181 0.1643 PRESSURE: 2443400 78.4766 29.5442 200.108 29.5441 47.7491 -133.24 200.108 -133.239 -21.1374 GPRESSURE: 2443400 179.953 79.6671 180.936 -20.85 1.77278 -112.406 128.496 -69.7305 -1.92022 PRESSAVG: 2443400 12.0062 31.9728 35.0938 31.9729 -28.611 13.481 35.0939 13.481 21.3903 GPRESSAVG: 2443400 12.9609 32.4785 34.9135 32.9224 -30.7383 12.0453 36.0891 14.0389 23.2481 TIMING: 2443400 CPU: 7722.42, 0.00317401/step Wall: 7722.42, 0.00317401/step, 2.25407 hours remaining, 237.843750 MB of memory in use. ENERGY: 2443400 3969.8138 20410.0811 14434.2415 244.8746 -203393.7372 2715.5912 0.0000 0.0000 52106.3432 -109512.7919 299.4559 -161619.1351 -109148.8752 298.9000 35.0294 59.9353 760130.2876 1.5952 1.8236 PRESSURE: 2443600 -69.316 88.3841 34.4515 88.3842 -162.895 -181.584 34.4515 -181.583 -11.2667 GPRESSURE: 2443600 -108.736 75.0148 79.1732 3.01057 -46.3605 -213.516 -89.2306 -144.32 5.08707 PRESSAVG: 2443600 8.66657 18.9877 50.0123 18.9878 -14.4164 46.4242 50.0122 46.4243 -7.11047 GPRESSAVG: 2443600 8.02334 19.5908 51.698 17.2317 -13.1284 46.5341 49.703 45.4231 -8.46263 TIMING: 2443600 CPU: 7723.06, 0.00316027/step Wall: 7723.06, 0.00316027/step, 2.24414 hours remaining, 237.843750 MB of memory in use. ENERGY: 2443600 4057.6138 20436.0275 14493.2290 257.8679 -203459.3616 2734.1846 0.0000 0.0000 52056.8099 -109423.6289 299.1712 -161480.4388 -109059.1140 299.0979 -81.1592 -50.0030 761038.7777 -4.2868 -4.5226 PRESSURE: 2443800 405.218 -12.9418 17.9482 -12.9421 526.701 -197.779 17.9486 -197.779 459.03 GPRESSURE: 2443800 469.429 -109.928 -91.5537 -15.6854 542.395 -129.463 113.051 -155.615 458.181 PRESSAVG: 2443800 -45.745 17.3575 32.7852 17.3575 47.4597 17.7851 32.7852 17.7851 -2.15782 GPRESSAVG: 2443800 -46.3119 13.1214 33.1903 20.4904 46.4862 17.9818 32.6341 19.6712 -1.12623 TIMING: 2443800 CPU: 7723.69, 0.00315138/step Wall: 7723.69, 0.00315138/step, 2.23765 hours remaining, 237.843750 MB of memory in use. ENERGY: 2443800 3990.1484 20365.8039 14500.0498 259.0028 -203586.3533 3067.1653 0.0000 0.0000 52159.4814 -109244.7016 299.7613 -161404.1830 -108882.4092 299.2039 463.6498 490.0016 759947.7039 -0.1477 -0.3173 PRESSURE: 2444000 59.2853 -19.5549 115.77 -19.5557 -67.1636 37.2101 115.771 37.2099 -166.947 GPRESSURE: 2444000 110.997 -6.23103 194.596 -58.1095 6.4589 -33.8222 -0.106483 133.534 -203.543 PRESSAVG: 2444000 -37.5396 -63.3661 31.5621 -63.3661 7.81585 15.8476 31.5622 15.8476 -6.58736 GPRESSAVG: 2444000 -36.9618 -58.8559 30.5393 -64.7904 7.66228 16.2169 28.6194 16.457 -7.32611 TIMING: 2444000 CPU: 7724.32, 0.00315782/step Wall: 7724.32, 0.00315782/step, 2.24205 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2444000 4020.1518 20407.0390 14534.8894 249.6368 -203076.0915 2608.1878 0.0000 0.0000 52019.6380 -109236.5487 298.9576 -161256.1867 -108888.1078 299.1684 -58.2752 -28.6957 760843.1775 -12.1037 -12.2085 PRESSURE: 2444200 -147.022 266.657 -6.75627 266.657 2.25101 -352.585 -6.75741 -352.584 104.531 GPRESSURE: 2444200 -99.4479 109.815 37.3006 174.389 104.522 -285.755 159.7 -241.115 46.5597 PRESSAVG: 2444200 0.933213 2.10361 -22.8328 2.10365 0.530395 -0.515898 -22.8328 -0.515943 12.2204 GPRESSAVG: 2444200 0.311254 0.721048 -24.9055 2.08636 0.934218 -1.52141 -20.0904 0.17899 12.0836 TIMING: 2444200 CPU: 7724.95, 0.00318243/step Wall: 7724.95, 0.00318243/step, 2.25935 hours remaining, 237.843750 MB of memory in use. ENERGY: 2444200 4034.5269 20419.4505 14439.2117 240.4192 -203211.6563 2664.2855 0.0000 0.0000 52030.7401 -109383.0223 299.0214 -161413.7624 -109025.9007 299.3429 -13.4134 17.2112 760806.1171 4.5613 4.4430 LDB: ============= START OF LOAD BALANCING ============== 7737.35 LDB: ============== END OF LOAD BALANCING =============== 7737.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7737.36 LDB: ============= START OF LOAD BALANCING ============== 7737.67 LDB: Largest compute 7058 load 0.035219 is 18.0% of average load 0.195940 LDB: Average compute 0.004408 is 2.2% of average load 0.195940 LDB: TIME 7737.68 LOAD: AVG 0.19594 MAX 0.218812 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 7737.68 LOAD: AVG 0.19594 MAX 0.218812 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 7737.68 LOAD: AVG 0.19594 MAX 0.218812 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7737.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7737.68 PRESSURE: 2444400 128.843 -66.0928 57.4353 -66.0928 247.457 133.256 57.4351 133.256 205.844 GPRESSURE: 2444400 173.442 -84.2251 117.049 -171.508 231.709 66.2756 56.4554 235.412 253.383 PRESSAVG: 2444400 56.9453 19.8091 42.4726 19.8091 -30.1043 -25.7107 42.4725 -25.7107 -12.0505 GPRESSAVG: 2444400 56.4251 19.8729 44.9658 18.9574 -29.8899 -25.9627 43.3266 -26.2823 -10.9787 TIMING: 2444400 CPU: 7725.6, 0.00323259/step Wall: 7725.6, 0.00323259/step, 2.29478 hours remaining, 240.414062 MB of memory in use. ENERGY: 2444400 3955.6545 20584.6133 14509.1464 250.2899 -203493.4966 2806.1369 0.0000 0.0000 51924.3607 -109463.2949 298.4100 -161387.6557 -109115.1732 299.0209 194.0479 219.5110 760045.4864 4.9302 5.1855 PRESSURE: 2444600 197.488 85.6005 51.4339 85.6005 90.8354 -69.9342 51.4342 -69.935 246.936 GPRESSURE: 2444600 231.923 125.086 -28.9361 11.4424 154.139 7.34746 -96.0235 -86.1508 250.749 PRESSAVG: 2444600 21.401 -5.47422 43.4214 -5.4742 -29.6645 -23.6798 43.4213 -23.6797 -28.1089 GPRESSAVG: 2444600 21.1028 -4.4337 42.8651 -5.00996 -29.008 -22.2452 40.5807 -25.2999 -29.3049 TIMING: 2444600 CPU: 7726.24, 0.00319604/step Wall: 7726.24, 0.00319604/step, 2.26865 hours remaining, 240.414062 MB of memory in use. ENERGY: 2444600 3977.5135 20491.1820 14442.6926 239.2442 -203119.6310 2445.6708 0.0000 0.0000 51967.2049 -109556.1231 298.6562 -161523.3279 -109198.9613 299.2483 178.4199 212.2703 760188.9462 -12.1241 -12.4033 PRESSURE: 2444800 219.512 -205.977 6.1774 -205.977 -255.025 373.835 6.17712 373.836 15.3871 GPRESSURE: 2444800 169.321 -164.494 -7.13966 -261.781 -144.96 301.733 -70.8353 217.819 9.34124 PRESSAVG: 2444800 -32.883 -14.6016 16.3326 -14.6015 -33.4232 29.2478 16.3327 29.2479 -1.26493 GPRESSAVG: 2444800 -30.8905 -14.5423 14.8264 -14.666 -35.0994 30.1074 17.9136 29.0451 -2.08354 TIMING: 2444800 CPU: 7726.88, 0.00317469/step Wall: 7726.88, 0.00317469/step, 2.25332 hours remaining, 240.414062 MB of memory in use. ENERGY: 2444800 3983.4827 20405.3634 14453.2069 254.6532 -203084.7350 2416.5529 0.0000 0.0000 51903.0211 -109668.4548 298.2874 -161571.4759 -109312.6881 299.0047 -6.7088 11.2339 760570.3383 -22.5237 -22.6911 PRESSURE: 2445000 -230.338 63.7642 112.866 63.7647 -117.357 -238.746 112.866 -238.746 -104 GPRESSURE: 2445000 -150.063 81.2425 138.986 16.6561 -57.5516 -240.437 132.378 -104.968 -150.278 PRESSAVG: 2445000 71.8835 -8.17531 -35.4444 -8.17532 -44.8004 32.0218 -35.4444 32.0219 -8.00558 GPRESSAVG: 2445000 70.5243 -9.2503 -34.0118 -7.56839 -43.9477 30.2292 -34.3861 31.7509 -7.595 TIMING: 2445000 CPU: 7727.5, 0.00314356/step Wall: 7727.5, 0.00314356/step, 2.23106 hours remaining, 240.414062 MB of memory in use. ENERGY: 2445000 4020.2784 20280.3286 14471.7402 252.5261 -202999.4651 2446.1317 0.0000 0.0000 51972.5564 -109555.9037 298.6870 -161528.4601 -109190.4751 298.5747 -150.5649 -119.2977 761400.2382 6.3592 6.3272 PRESSURE: 2445200 99.579 52.6247 -175.596 52.6242 108.941 60.2106 -175.597 60.2098 329.711 GPRESSURE: 2445200 110.701 -128.369 -104.539 -101.451 122.43 38.059 -287.395 -18.8435 395.473 PRESSAVG: 2445200 8.86919 -17.4513 -6.36348 -17.4513 3.4399 17.0904 -6.36346 17.0904 -1.93758 GPRESSAVG: 2445200 9.44214 -16.673 -8.12788 -17.438 4.39784 17.5297 -7.09134 18.2451 -2.8848 TIMING: 2445200 CPU: 7728.13, 0.00314946/step Wall: 7728.13, 0.00314946/step, 2.23507 hours remaining, 240.414062 MB of memory in use. ENERGY: 2445200 3969.4080 20525.9791 14452.5630 220.4819 -203134.4881 2383.5986 0.0000 0.0000 51894.4555 -109688.0020 298.2381 -161582.4575 -109329.5272 298.0975 179.4102 209.5348 758991.4304 3.4572 3.6517 PRESSURE: 2445400 -179.747 39.0129 206.932 39.0128 -443.345 263.561 206.932 263.56 227.636 GPRESSURE: 2445400 -120.24 21.8493 163.639 76.764 -384.333 107.996 201.752 164.758 202.757 PRESSAVG: 2445400 -4.1602 -27.7499 2.98126 -27.7499 9.98143 27.6372 2.98131 27.6372 20.3276 GPRESSAVG: 2445400 -4.46028 -29.1973 2.40384 -27.5303 9.57865 27.8859 4.0782 27.2007 20.8091 TIMING: 2445400 CPU: 7728.76, 0.0031414/step Wall: 7728.76, 0.0031414/step, 2.22917 hours remaining, 240.414062 MB of memory in use. ENERGY: 2445400 3950.3236 20352.1688 14444.3083 235.7025 -203062.5943 2420.3403 0.0000 0.0000 51772.9851 -109886.7657 297.5401 -161659.7508 -109525.1691 298.3881 -131.8185 -100.6052 759676.1228 8.7163 8.6425 PRESSURE: 2445600 -85.0039 74.6862 -42.6097 74.6852 215.911 302.004 -42.6095 302.003 -101.803 GPRESSURE: 2445600 -119.52 90.4739 8.0892 28.3797 295.953 236.787 -73.2534 230.529 -91.108 PRESSAVG: 2445600 61.1237 5.34423 -4.73995 5.3442 -30.7918 -44.2677 -4.73999 -44.2677 -1.84267 GPRESSAVG: 2445600 60.3516 6.26203 -3.81325 4.98413 -30.6498 -45.3013 -7.30527 -44.1994 -1.23014 TIMING: 2445600 CPU: 7729.39, 0.00316144/step Wall: 7729.39, 0.00316144/step, 2.24322 hours remaining, 240.414062 MB of memory in use. ENERGY: 2445600 3948.0214 20391.6617 14501.3306 247.5090 -203457.7401 2623.8036 0.0000 0.0000 51949.5843 -109795.8294 298.5550 -161745.4137 -109435.1043 298.0577 9.7013 28.4418 760649.6671 9.4964 9.4906 PRESSURE: 2445800 223.929 -33.6221 -153.28 -33.6211 -186.022 78.9307 -153.279 78.9299 16.6372 GPRESSURE: 2445800 220.828 63.9277 -46.4304 -170.041 -122.457 41.2987 -182.614 23.396 39.115 PRESSAVG: 2445800 -29.7938 -57.1839 -57.2286 -57.1838 50.4799 8.59809 -57.2286 8.5981 12.8401 GPRESSAVG: 2445800 -29.7529 -55.7208 -56.5199 -54.9391 50.0238 8.01602 -54.7333 9.52412 12.4858 TIMING: 2445800 CPU: 7730.03, 0.00316467/step Wall: 7730.03, 0.00316467/step, 2.24533 hours remaining, 240.414062 MB of memory in use. ENERGY: 2445800 3954.8678 20328.9976 14533.8085 244.3252 -203582.1364 2817.2586 0.0000 0.0000 52030.4475 -109672.4312 299.0197 -161702.8787 -109325.5562 298.4193 18.1816 45.8288 760775.8845 11.1754 10.9189 PRESSURE: 2446000 136.421 -81.271 145.822 -81.2701 -267.357 -118.28 145.824 -118.28 -351.346 GPRESSURE: 2446000 157.764 -112.473 108.212 -136.493 -149.309 -71.0719 226.793 -189.709 -389.372 PRESSAVG: 2446000 25.8671 5.76259 -0.47208 5.76261 -46.3002 -8.88974 -0.472111 -8.88971 -19.7152 GPRESSAVG: 2446000 24.9796 3.2636 -0.882442 2.49145 -44.5289 -6.9375 -3.70953 -9.99843 -20.4043 TIMING: 2446000 CPU: 7730.66, 0.00315321/step Wall: 7730.66, 0.00315321/step, 2.23703 hours remaining, 240.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2446000 3977.9525 20401.0172 14451.9690 248.2374 -203330.3680 2674.0452 0.0000 0.0000 52019.3812 -109557.7655 298.9561 -161577.1467 -109205.5780 298.7745 -160.7605 -126.9722 762000.4222 -13.3828 -13.3179 PRESSURE: 2446200 -66.7886 -23.9768 288.891 -23.9765 -229.023 256.953 288.891 256.952 87.1107 GPRESSURE: 2446200 19.8559 -21.0394 275.588 -10.5775 -249.233 325.368 260.993 193.92 111.564 PRESSAVG: 2446200 12.3353 -36.8885 31.1755 -36.8886 -5.92537 -0.62019 31.1755 -0.620222 0.476686 GPRESSAVG: 2446200 12.0492 -35.0638 30.5052 -35.9043 -7.15292 -1.31578 34.5772 1.66638 1.52463 TIMING: 2446200 CPU: 7731.3, 0.00318977/step Wall: 7731.3, 0.00318977/step, 2.26279 hours remaining, 240.414062 MB of memory in use. ENERGY: 2446200 4035.4306 20415.0349 14455.4896 237.6056 -203023.3398 2355.9208 0.0000 0.0000 51921.7539 -109602.1044 298.3950 -161523.8583 -109237.8407 298.9864 -69.5668 -39.2708 761328.4342 2.2955 2.1403 PRESSURE: 2446400 91.155 -241.162 -50.8918 -241.162 -55.6328 -117.533 -50.8925 -117.532 135.124 GPRESSURE: 2446400 86.6942 -195.162 -53.8953 -145.267 -23.665 -138.321 -210.425 -124.369 185.953 PRESSAVG: 2446400 24.5426 -17.3183 11.6957 -17.3183 -50.2798 -22.3173 11.6957 -22.3173 -3.66182 GPRESSAVG: 2446400 25.2803 -18.5507 12.5239 -14.9429 -51.0733 -22.8653 11.6154 -23.1194 -3.45517 TIMING: 2446400 CPU: 7731.93, 0.00316055/step Wall: 7731.93, 0.00316055/step, 2.24188 hours remaining, 240.414062 MB of memory in use. ENERGY: 2446400 3943.0093 20466.8186 14511.3968 231.2129 -203399.2474 2894.1765 0.0000 0.0000 51701.0452 -109651.5882 297.1266 -161352.6333 -109303.3855 299.0353 56.8821 82.9942 762186.7859 -9.7997 -9.7494 PRESSURE: 2446600 -253.445 -35.988 48.368 -35.9881 -508.558 55.5347 48.3678 55.5346 -621.408 GPRESSURE: 2446600 -236.453 26.0097 87.5504 -125.509 -486.315 139.243 85.7246 85.5033 -582.494 PRESSAVG: 2446600 -16.7975 -53.2167 9.19859 -53.2167 -34.0136 9.08594 9.19853 9.08588 -10.1869 GPRESSAVG: 2446600 -16.8634 -53.1198 9.61293 -55.2995 -33.4008 9.15506 8.15579 8.56693 -10.6353 TIMING: 2446600 CPU: 7732.56, 0.00316229/step Wall: 7732.56, 0.00316229/step, 2.24294 hours remaining, 240.414062 MB of memory in use. ENERGY: 2446600 3991.2343 20546.3835 14465.7048 252.0825 -202870.1672 2304.6127 0.0000 0.0000 51856.6380 -109453.5113 298.0208 -161310.1494 -109103.6706 299.0765 -461.1371 -435.0872 763068.7732 -20.3327 -20.2998 PRESSURE: 2446800 -143.766 49.1025 -261.241 49.1033 151.121 -100.403 -261.24 -100.403 -351.38 GPRESSURE: 2446800 -58.8519 30.5729 -259.535 -34.692 86.1437 -171.356 -298.296 -80.7997 -304.588 PRESSAVG: 2446800 -6.2982 -35.8893 14.4869 -35.8892 3.43884 24.6455 14.4869 24.6454 12.5027 GPRESSAVG: 2446800 -6.24924 -35.7144 13.8307 -35.7153 3.45856 24.8615 14.1458 25.2567 12.5431 TIMING: 2446800 CPU: 7733.19, 0.00317137/step Wall: 7733.19, 0.00317137/step, 2.24921 hours remaining, 240.414062 MB of memory in use. ENERGY: 2446800 3959.7838 20352.9360 14482.1669 253.4700 -203296.9702 2668.7189 0.0000 0.0000 52183.1615 -109396.7332 299.8973 -161579.8947 -109041.2292 299.2595 -114.6750 -92.4322 761282.8100 3.2144 3.2508 PRESSURE: 2447000 -419.439 61.4968 -0.896341 61.4968 -161.155 -351.468 -0.897374 -351.468 -178.689 GPRESSURE: 2447000 -452.146 39.3143 -20.2582 -10.3552 -17.8731 -407.953 13.3849 -287.586 -207.056 PRESSAVG: 2447000 -34.6054 27.9512 -16.2381 27.9512 29.3739 33.6061 -16.2381 33.6061 21.5803 GPRESSAVG: 2447000 -33.6711 28.7698 -15.2296 27.0748 29.6047 33.9831 -16.2512 34.7847 20.7713 TIMING: 2447000 CPU: 7733.82, 0.0031462/step Wall: 7733.82, 0.0031462/step, 2.23118 hours remaining, 240.414062 MB of memory in use. ENERGY: 2447000 3984.1009 20431.0737 14555.1163 231.6968 -202788.8877 2474.3297 0.0000 0.0000 51715.2834 -109397.2869 297.2084 -161112.5703 -109043.3418 298.5205 -253.0943 -225.6916 761666.2325 5.4496 5.5683 PRESSURE: 2447200 -124.01 93.2607 -32.1164 93.2608 -40.5748 -5.68836 -32.1153 -5.68957 -332.305 GPRESSURE: 2447200 -100.121 139.135 -14.4795 107.439 -48.0288 -28.0771 121.99 -22.1041 -264.136 PRESSAVG: 2447200 19.2295 -10.27 39.5423 -10.27 14.3038 36.0578 39.5424 36.0579 15.7818 GPRESSAVG: 2447200 18.8017 -10.95 39.3221 -9.36293 14.3301 36.5018 42.432 34.1825 16.3509 TIMING: 2447200 CPU: 7734.46, 0.00315858/step Wall: 7734.46, 0.00315858/step, 2.23978 hours remaining, 240.414062 MB of memory in use. ENERGY: 2447200 3982.0924 20455.5219 14483.6953 250.4538 -202583.2969 2254.8098 0.0000 0.0000 51856.7258 -109299.9980 298.0213 -161156.7238 -108939.4505 298.8235 -165.6299 -137.4283 762311.2029 16.4384 16.4942 PRESSURE: 2447400 377.324 -19.7345 32.3871 -19.7337 200.333 -271.71 32.3883 -271.71 -158.923 GPRESSURE: 2447400 363.101 -1.6985 29.8814 -10.6866 282.243 -229.371 -15.1084 -151.51 -143.86 PRESSAVG: 2447400 -7.28602 -3.03361 -6.67986 -3.03359 -14.3668 -57.8597 -6.67983 -57.8597 -14.2191 GPRESSAVG: 2447400 -8.56228 -3.56332 -6.62012 -1.79463 -14.01 -57.5003 -8.53836 -56.4921 -13.4183 TIMING: 2447400 CPU: 7735.09, 0.00317083/step Wall: 7735.09, 0.00317083/step, 2.2483 hours remaining, 240.414062 MB of memory in use. ENERGY: 2447400 4034.9300 20509.1445 14401.8995 237.7138 -202928.0796 2457.4637 0.0000 0.0000 52083.5994 -109203.3286 299.3252 -161286.9280 -108850.7364 299.2024 139.5781 167.1616 761272.4039 -11.9573 -11.9968 PRESSURE: 2447600 -43.963 -83.1813 -9.304 -83.1814 20.3595 72.3475 -9.30396 72.3484 -413.384 GPRESSURE: 2447600 61.2872 -113.253 -22.886 1.01272 -0.647622 76.8822 -114.274 90.2741 -415.092 PRESSAVG: 2447600 -68.7504 -1.31222 -16.2709 -1.31223 67.9124 -41.066 -16.2708 -41.066 13.6712 GPRESSAVG: 2447600 -68.2003 -1.43588 -17.0829 -0.906545 68.4977 -41.4155 -16.6342 -39.9332 12.5293 TIMING: 2447600 CPU: 7735.72, 0.00316927/step Wall: 7735.72, 0.00316927/step, 2.24702 hours remaining, 240.414062 MB of memory in use. ENERGY: 2447600 3958.4832 20528.7731 14505.4375 241.1437 -203200.0722 2445.3667 0.0000 0.0000 52050.9599 -109469.9082 299.1376 -161520.8681 -109111.0977 299.0622 -145.6625 -118.1507 761671.7845 4.2777 4.2756 PRESSURE: 2447800 51.5663 96.5878 187.373 96.5873 289.515 56.3748 187.371 56.374 -14.0229 GPRESSURE: 2447800 100.926 128.601 164.09 260.721 309.387 84.7987 387.259 29.3461 -0.902413 PRESSAVG: 2447800 7.61963 -21.0147 -13.4727 -21.0147 -39.9826 1.73401 -13.4727 1.73398 -1.19365 GPRESSAVG: 2447800 9.35492 -19.8653 -12.0183 -22.7857 -42.2001 3.09315 -14.2976 0.317002 -0.313424 TIMING: 2447800 CPU: 7736.36, 0.00318297/step Wall: 7736.36, 0.00318297/step, 2.25655 hours remaining, 240.414062 MB of memory in use. ENERGY: 2447800 3986.5231 20344.2967 14472.2740 239.2323 -203423.6019 2844.6844 0.0000 0.0000 51931.5122 -109605.0791 298.4511 -161536.5913 -109246.9717 299.4009 109.0195 136.4701 763564.6771 -11.1856 -11.0529 PRESSURE: 2448000 -92.3757 89.2571 -134.326 89.2574 -333.896 17.6475 -134.326 17.6463 -149.208 GPRESSURE: 2448000 -38.6652 -94.0727 -75.7545 73.174 -299.421 -57.3388 -112.165 -80.2877 -164.746 PRESSAVG: 2448000 60.0811 -54.3132 15.5373 -54.3132 -43.6916 -13.6331 15.5372 -13.6331 -3.22632 GPRESSAVG: 2448000 58.7564 -54.2208 14.6441 -54.7807 -42.3258 -14.6669 19.4457 -15.133 -3.77595 TIMING: 2448000 CPU: 7736.99, 0.00316231/step Wall: 7736.99, 0.00316231/step, 2.24173 hours remaining, 240.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2448000 3951.1762 20553.1317 14436.8738 223.8060 -203268.4364 2393.4715 0.0000 0.0000 52042.1503 -109667.8268 299.0870 -161709.9771 -109310.7612 299.5040 -191.8265 -167.6105 761032.2952 4.3877 4.2182 PRESSURE: 2448200 -125.19 -64.6367 -246.311 -64.6368 -188.3 -249.659 -246.311 -249.66 18.4818 GPRESSURE: 2448200 -12.5454 -162.533 -256.897 -128.5 -209.658 -243.113 -353.684 -270.228 6.67069 PRESSAVG: 2448200 32.0286 -43.6032 16.6599 -43.6032 -29.7792 10.9026 16.6599 10.9026 23.9775 GPRESSAVG: 2448200 32.0265 -43.4469 18.4206 -43.3599 -29.218 11.0072 12.496 13.0329 23.4681 TIMING: 2448200 CPU: 7737.62, 0.00315343/step Wall: 7737.62, 0.00315343/step, 2.23526 hours remaining, 240.414062 MB of memory in use. ENERGY: 2448200 3862.7854 20507.7645 14446.5337 247.3336 -203364.1665 2365.4464 0.0000 0.0000 52191.0087 -109743.2943 299.9424 -161934.3030 -109389.1663 298.7333 -98.3361 -71.8443 761416.4262 8.7423 8.7589 LDB: ============= START OF LOAD BALANCING ============== 7750.02 LDB: ============== END OF LOAD BALANCING =============== 7750.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7750.02 LDB: ============= START OF LOAD BALANCING ============== 7750.34 LDB: Largest compute 7025 load 0.034494 is 17.6% of average load 0.195991 LDB: Average compute 0.004408 is 2.2% of average load 0.195991 LDB: TIME 7750.34 LOAD: AVG 0.195991 MAX 0.219836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.402 MB LDB: TIME 7750.35 LOAD: AVG 0.195991 MAX 0.219836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: TIME 7750.35 LOAD: AVG 0.195991 MAX 0.219836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.605 MB LDB: ============== END OF LOAD BALANCING =============== 7750.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7750.35 PRESSURE: 2448400 148.358 36.3421 -113.869 36.3424 -5.2641 -41.6311 -113.87 -41.6309 198.692 GPRESSURE: 2448400 267.82 68.4116 -117.028 -0.0187182 -0.864396 -150.265 -179.744 -45.1879 171.301 PRESSAVG: 2448400 -16.18 -31.4736 23.454 -31.4736 -5.49769 -15.5989 23.4541 -15.5989 -5.80747 GPRESSAVG: 2448400 -16.2321 -31.1539 22.9298 -33.7745 -5.80463 -15.3547 23.6895 -16.2325 -5.19091 TIMING: 2448400 CPU: 7738.27, 0.00322973/step Wall: 7738.27, 0.00322973/step, 2.28916 hours remaining, 238.414062 MB of memory in use. ENERGY: 2448400 4005.8826 20550.8673 14511.8593 239.9629 -203571.8268 2595.6993 0.0000 0.0000 51971.4187 -109696.1369 298.6805 -161667.5556 -109342.9618 298.9340 113.9285 146.0854 760328.8058 -9.1617 -9.0759 PRESSURE: 2448600 -168.074 -128.66 57.7575 -128.659 -204.001 -72.2436 57.7573 -72.2448 183.278 GPRESSURE: 2448600 -90.097 -58.3649 80.1187 -87.3931 -199.916 -91.309 61.9171 -95.7905 166.905 PRESSAVG: 2448600 42.3376 -10.0401 -23.1402 -10.0401 -34.3381 37.3808 -23.1403 37.3808 5.16614 GPRESSAVG: 2448600 42.3115 -11.4726 -23.9972 -7.67616 -34.1992 37.2711 -22.5629 38.3024 5.36702 TIMING: 2448600 CPU: 7738.9, 0.00315418/step Wall: 7738.9, 0.00315418/step, 2.23543 hours remaining, 238.617188 MB of memory in use. ENERGY: 2448600 3996.0693 20478.7194 14453.0575 245.7340 -203483.9641 2565.4195 0.0000 0.0000 51748.7198 -109996.2447 297.4006 -161744.9644 -109638.2120 298.3278 -62.9327 -41.0362 761461.1208 4.3886 4.4931 PRESSURE: 2448800 -1.90989 110.194 23.3187 110.194 -85.0839 145.9 23.3178 145.9 -377.623 GPRESSURE: 2448800 104.758 6.97949 123.419 48.1304 -111.734 118.789 66.5675 75.756 -357.392 PRESSAVG: 2448800 57.0678 -37.6798 -4.39682 -37.6799 -59.3222 54.4655 -4.39685 54.4654 15.3626 GPRESSAVG: 2448800 58.179 -36.2227 -6.8325 -38.2002 -59.0466 54.2726 -3.11697 52.6452 14.3826 TIMING: 2448800 CPU: 7739.53, 0.00315156/step Wall: 7739.53, 0.00315156/step, 2.2334 hours remaining, 238.617188 MB of memory in use. ENERGY: 2448800 4004.9343 20467.4182 14442.7615 226.5309 -203605.9037 2487.3148 0.0000 0.0000 51781.9270 -110195.0171 297.5914 -161976.9441 -109832.5529 297.6999 -154.8724 -121.4559 760871.4131 4.3694 4.5050 PRESSURE: 2449000 -239.396 -85.0927 33.2825 -85.0926 -612.981 9.44505 33.2827 9.44527 -157.307 GPRESSURE: 2449000 -279.701 -22.8577 24.7074 -114.939 -488.279 -18.202 69.7105 -26.8873 -183.113 PRESSAVG: 2449000 9.83168 -2.82708 6.20753 -2.827 -2.44038 60.5977 6.20755 60.5977 -0.17085 GPRESSAVG: 2449000 7.39689 -3.71872 8.22028 -2.05737 -1.80587 59.7507 5.74957 61.3908 0.984497 TIMING: 2449000 CPU: 7740.16, 0.00316023/step Wall: 7740.16, 0.00316023/step, 2.23938 hours remaining, 238.617188 MB of memory in use. ENERGY: 2449000 4024.0909 20397.9630 14453.2843 256.4830 -203702.6379 2406.5988 0.0000 0.0000 51802.8719 -110361.3461 297.7118 -162164.2180 -110001.8253 297.8136 -336.5613 -317.0309 760345.8081 2.4068 2.1918 PRESSURE: 2449200 24.6569 -117.834 -43.6178 -117.833 -130.69 -68.7919 -43.6167 -68.7933 -113.685 GPRESSURE: 2449200 18.9254 -201.386 -13.318 -198 -96.5459 -56.5043 -66.938 -18.701 -54.6915 PRESSAVG: 2449200 23.6827 -31.019 -35.5257 -31.0191 -32.8436 33.6223 -35.5257 33.6223 15.8775 GPRESSAVG: 2449200 24.2799 -29.6172 -34.6417 -31.7476 -33.1095 32.9412 -36.5075 36.5627 15.5661 TIMING: 2449200 CPU: 7740.8, 0.00317526/step Wall: 7740.8, 0.00317526/step, 2.24985 hours remaining, 238.617188 MB of memory in use. ENERGY: 2449200 4003.7974 20312.8049 14423.1685 232.4855 -203679.0681 2704.5838 0.0000 0.0000 51727.1093 -110275.1188 297.2764 -162002.2281 -109915.5293 297.7459 -73.2396 -44.1040 760258.1367 2.2389 2.2455 PRESSURE: 2449400 -354.913 74.7838 10.2822 74.784 -202.605 62.7298 10.2814 62.7304 323.501 GPRESSURE: 2449400 -234.982 70.98 -23.3272 118.458 -218.586 -60.7748 -52.7472 68.8946 294.554 PRESSAVG: 2449400 16.2197 -8.51361 -5.93856 -8.51357 35.7072 -4.19538 -5.93861 -4.19539 11.6118 GPRESSAVG: 2449400 15.3614 -9.44874 -8.2698 -7.22692 35.3359 -2.67794 -6.02429 -8.99805 12.1792 TIMING: 2449400 CPU: 7741.43, 0.00316928/step Wall: 7741.43, 0.00316928/step, 2.24544 hours remaining, 238.617188 MB of memory in use. ENERGY: 2449400 3931.0641 20502.7422 14440.9109 216.5081 -203437.4725 2487.3906 0.0000 0.0000 51971.0929 -109887.7636 298.6786 -161858.8565 -109525.9704 298.0475 -78.0058 -53.0048 762168.4325 21.1796 20.9588 PRESSURE: 2449600 -63.3051 127.396 -292.181 127.396 -114.88 -153.247 -292.18 -153.249 -336.235 GPRESSURE: 2449600 -23.8749 281.625 -320.229 23.6206 -111.588 -126.708 -74.0425 21.0156 -296.177 PRESSAVG: 2449600 -60.8843 -6.5721 -44.4774 -6.57201 19.6419 -4.70909 -44.4774 -4.70903 -9.03218 GPRESSAVG: 2449600 -59.9955 -6.56508 -43.4328 -9.19381 19.8083 -4.79864 -43.1674 -3.61322 -10.0662 TIMING: 2449600 CPU: 7742.07, 0.00317431/step Wall: 7742.07, 0.00317431/step, 2.24882 hours remaining, 238.617188 MB of memory in use. ENERGY: 2449600 3963.2846 20457.7625 14471.0067 255.2152 -203776.2042 2890.0134 0.0000 0.0000 51796.4972 -109942.4247 297.6752 -161738.9219 -109589.8456 298.4321 -171.4732 -143.8800 762745.1991 -16.7582 -16.7511 PRESSURE: 2449800 110.605 -54.8647 -97.463 -54.8645 239.821 29.8204 -97.4623 29.8203 -268.969 GPRESSURE: 2449800 180.768 -86.5392 -165.039 -7.52245 181.467 53.619 -13.1297 88.7202 -187.399 PRESSAVG: 2449800 56.1394 9.49519 -10.4293 9.49518 1.98177 -7.82767 -10.4293 -7.82766 -2.83385 GPRESSAVG: 2449800 56.6581 9.22684 -10.1287 11.0781 0.650495 -8.80732 -9.68136 -4.71864 -1.42968 TIMING: 2449800 CPU: 7742.7, 0.0031885/step Wall: 7742.7, 0.0031885/step, 2.2587 hours remaining, 238.617188 MB of memory in use. ENERGY: 2449800 3980.8392 20533.4694 14371.5452 263.7618 -204200.9970 3066.4781 0.0000 0.0000 52034.8021 -109950.1013 299.0447 -161984.9033 -109589.1744 298.3729 27.1521 58.2789 761543.8559 18.4291 18.6263 PRESSURE: 2450000 94.7549 246.609 36.4686 246.609 -120.096 291.504 36.4688 291.504 -123.938 GPRESSURE: 2450000 169.985 212.439 23.1167 313.504 -104.771 208.268 -63.1829 149.343 -140.953 PRESSAVG: 2450000 -2.78909 38.638 -6.47351 38.638 -3.19732 -2.79342 -6.4735 -2.79341 17.7532 GPRESSAVG: 2450000 -1.53225 38.9205 -6.83328 38.6328 -2.17423 -1.11086 -6.69753 -6.74587 16.1154 TIMING: 2450000 CPU: 7743.34, 0.00317345/step Wall: 7743.34, 0.00317345/step, 2.24786 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2450000 3949.3580 20475.9235 14503.0529 247.5369 -203390.9278 2544.4804 0.0000 0.0000 51872.1973 -109798.3787 298.1102 -161670.5760 -109439.9849 298.2197 -49.7599 -25.2464 762286.3575 3.9223 4.1363 PRESSURE: 2450200 6.25834 -165.713 -1.04024 -165.713 20.4024 -98.6255 -1.04006 -98.6264 -304.809 GPRESSURE: 2450200 59.0959 -245.888 103.495 -150.141 86.1745 -123.987 -182.285 -136.825 -342.605 PRESSAVG: 2450200 16.9575 16.5698 -42.7138 16.5698 18.22 -37.3245 -42.7137 -37.3246 -1.20505 GPRESSAVG: 2450200 16.2378 16.7101 -42.3837 15.6298 18.6538 -38.7608 -45.1546 -38.4127 -0.66381 TIMING: 2450200 CPU: 7743.97, 0.00316244/step Wall: 7743.97, 0.00316244/step, 2.23989 hours remaining, 238.617188 MB of memory in use. ENERGY: 2450200 4021.6356 20415.0747 14447.9966 236.9013 -203470.4798 2516.4868 0.0000 0.0000 51891.1204 -109941.2644 298.2190 -161832.3848 -109573.7515 298.3581 -92.7160 -65.7782 759215.3875 11.3242 11.4093 PRESSURE: 2450400 38.2769 66.0975 -224.011 66.0982 -270.076 19.4354 -224.01 19.4351 -111.019 GPRESSURE: 2450400 53.146 -5.62269 -284.807 65.453 -235.444 -43.0074 -205.75 91.7437 -79.0163 PRESSAVG: 2450400 -11.5232 -44.5342 -36.1792 -44.5342 -35.8549 -29.8296 -36.1792 -29.8296 -41.7658 GPRESSAVG: 2450400 -12.8699 -44.4975 -36.5591 -43.3828 -34.4417 -30.2723 -37.4167 -26.7651 -40.8848 TIMING: 2450400 CPU: 7744.6, 0.00316689/step Wall: 7744.6, 0.00316689/step, 2.24286 hours remaining, 238.617188 MB of memory in use. ENERGY: 2450400 4034.1892 20454.2157 14441.9269 254.1736 -203079.2154 2330.9994 0.0000 0.0000 51821.2033 -109742.5073 297.8172 -161563.7106 -109380.5030 298.4743 -114.2724 -87.1048 760501.6140 -29.7147 -29.3988 PRESSURE: 2450600 -421.874 -232.232 -259.657 -232.232 -207.578 -34.0797 -259.658 -34.0801 -83.6198 GPRESSURE: 2450600 -382.71 -295.765 -264.125 -254.924 -248.719 -48.6019 -130.86 87.2498 -0.70986 PRESSAVG: 2450600 -14.9889 -22.9023 20.0891 -22.9023 35.9578 -18.4227 20.0891 -18.4226 5.24709 GPRESSAVG: 2450600 -12.8626 -23.1333 17.6329 -23.8632 35.1114 -18.4366 22.2604 -18.89 4.11329 TIMING: 2450600 CPU: 7745.24, 0.00317125/step Wall: 7745.24, 0.00317125/step, 2.24577 hours remaining, 238.617188 MB of memory in use. ENERGY: 2450600 3971.4782 20644.9621 14522.3592 249.5472 -203351.8546 2488.4982 0.0000 0.0000 51741.2817 -109733.7280 297.3579 -161475.0097 -109375.0213 298.3998 -237.6907 -210.7128 762396.7042 8.7387 8.7874 PRESSURE: 2450800 -211.301 -117.225 122.758 -117.225 -104.234 55.7049 122.758 55.7045 1.06761 GPRESSURE: 2450800 -223.059 -44.846 85.071 -215.548 22.3196 52.0169 71.5587 20.9647 -22.619 PRESSAVG: 2450800 -51.5145 -24.4651 14.6572 -24.4651 29.9284 -25.9699 14.6572 -25.9699 12.6748 GPRESSAVG: 2450800 -53.1163 -23.2091 16.9037 -23.54 29.7847 -26.9538 15.0865 -26.5386 13.5523 TIMING: 2450800 CPU: 7745.88, 0.00318898/step Wall: 7745.88, 0.00318898/step, 2.25815 hours remaining, 238.617188 MB of memory in use. ENERGY: 2450800 3948.8386 20508.2990 14395.2296 217.3269 -203410.4023 2707.6484 0.0000 0.0000 51886.1366 -109746.9232 298.1903 -161633.0598 -109385.7273 298.2006 -104.8227 -74.4529 760929.0783 -2.9704 -3.2598 PRESSURE: 2451000 -10.3262 16.7137 182.185 16.7137 621.223 7.05565 182.186 7.05445 277.542 GPRESSURE: 2451000 42.7649 34.2047 155.291 -84.3553 615.947 20.8117 47.0231 87.8702 303.467 PRESSAVG: 2451000 -5.33203 -62.7437 -7.50922 -62.7437 3.19787 24.866 -7.50925 24.866 10.7163 GPRESSAVG: 2451000 -3.81704 -64.5665 -4.82068 -62.9494 1.87122 28.0124 -11.1227 22.2229 10.1392 TIMING: 2451000 CPU: 7746.51, 0.00317973/step Wall: 7746.51, 0.00317973/step, 2.25143 hours remaining, 238.617188 MB of memory in use. ENERGY: 2451000 3944.8870 20463.1153 14508.5704 248.8292 -203685.1721 2949.0043 0.0000 0.0000 51377.7363 -110193.0296 295.2686 -161570.7659 -109846.8302 298.1826 296.1464 320.7260 760104.8581 2.8607 2.7311 PRESSURE: 2451200 374.495 -133.27 -63.0793 -133.27 -295.949 -42.7729 -63.0799 -42.7732 266.755 GPRESSURE: 2451200 338.703 -120.235 -59.297 -111.449 -258.45 -197.369 -48.5181 7.11804 357.138 PRESSAVG: 2451200 -11.7558 -31.8614 16.932 -31.8613 -1.11075 8.87761 16.932 8.87764 22.9394 GPRESSAVG: 2451200 -12.095 -30.5078 14.9558 -32.6315 -0.142578 7.20938 19.5129 11.2545 22.453 TIMING: 2451200 CPU: 7747.15, 0.00318103/step Wall: 7747.15, 0.00318103/step, 2.25217 hours remaining, 238.617188 MB of memory in use. ENERGY: 2451200 3985.7175 20459.3734 14426.7376 257.6300 -203951.7255 2657.5374 0.0000 0.0000 51875.3623 -110289.3673 298.1284 -162164.7296 -109930.7400 297.6166 115.1004 145.7966 759371.5759 3.3576 3.4051 PRESSURE: 2451400 216.283 -3.80866 35.5893 -3.80886 197.914 -74.713 35.5885 -74.7129 -48.6095 GPRESSURE: 2451400 190.217 38.5881 72.4282 81.8299 287.628 -71.7313 -13.1394 -6.72708 -38.0211 PRESSAVG: 2451400 24.0604 -2.63852 -22.445 -2.63855 -18.1017 -7.95505 -22.4449 -7.95514 -8.97425 GPRESSAVG: 2451400 22.1025 -1.02739 -23.1759 -2.35009 -16.859 -6.87405 -21.6483 -8.80033 -8.24861 TIMING: 2451400 CPU: 7747.79, 0.00318515/step Wall: 7747.79, 0.00318515/step, 2.25491 hours remaining, 238.617188 MB of memory in use. ENERGY: 2451400 3972.2806 20438.9331 14439.8064 242.0636 -203571.0626 2514.6077 0.0000 0.0000 51859.1546 -110104.2167 298.0353 -161963.3713 -109743.9407 297.2508 121.8624 146.6077 759322.3030 -1.0052 -1.0017 PRESSURE: 2451600 100.571 117.209 -41.9488 117.21 -320.48 64.2162 -41.9479 64.2174 43.8712 GPRESSURE: 2451600 169.789 40.9481 -115.529 115.012 -306.075 77.4145 -59.1788 64.6465 43.9349 PRESSAVG: 2451600 -61.3775 3.24551 -43.7494 3.24555 26.2398 -46.979 -43.7494 -46.9791 8.25978 GPRESSAVG: 2451600 -60.3772 3.07796 -44.9405 4.38003 23.9793 -48.2341 -43.8649 -46.199 10.0944 TIMING: 2451600 CPU: 7748.42, 0.00318515/step Wall: 7748.42, 0.00318515/step, 2.25473 hours remaining, 238.617188 MB of memory in use. ENERGY: 2451600 3905.2449 20427.9041 14454.1497 254.0689 -203225.2060 2440.2732 0.0000 0.0000 51907.6757 -109835.8894 298.3141 -161743.5651 -109478.9433 297.7075 -58.6790 -30.7836 760673.1126 -8.9593 -8.7678 PRESSURE: 2451800 229.963 -91.2164 23.223 -91.2153 -272.808 60.0901 23.2234 60.0906 -76.6511 GPRESSURE: 2451800 162.17 -100.212 81.9842 -25.4424 -131.926 47.0853 34.8401 167.842 -73.6775 PRESSAVG: 2451800 -12.6454 -17.3786 -18.3847 -17.3786 -9.46809 -38.8271 -18.3847 -38.8271 -4.15833 GPRESSAVG: 2451800 -11.4516 -21.7116 -17.2231 -17.7153 -7.36603 -37.9438 -18.6008 -38.066 -7.10671 TIMING: 2451800 CPU: 7749.06, 0.00318935/step Wall: 7749.06, 0.00318935/step, 2.25753 hours remaining, 238.617188 MB of memory in use. ENERGY: 2451800 3889.5388 20510.2831 14562.3399 246.9379 -203147.0477 2464.1985 0.0000 0.0000 51842.9092 -109630.8403 297.9419 -161473.7495 -109275.0158 298.9349 -39.8321 -14.4779 761296.3771 -8.7573 -8.6414 PRESSURE: 2452000 -150.759 -177.527 -155.548 -177.527 68.2954 -166.389 -155.548 -166.389 -69.3783 GPRESSURE: 2452000 -47.8621 -168.353 -232.065 -176.427 36.4431 -144.622 -212.58 -154.095 -58.2588 PRESSAVG: 2452000 10.1493 -14.4842 -36.5711 -14.4842 -5.96838 5.42912 -36.571 5.42913 0.703378 GPRESSAVG: 2452000 10.9529 -11.3836 -37.7513 -15.4986 -7.56873 6.8409 -35.3491 4.53341 1.6051 TIMING: 2452000 CPU: 7749.7, 0.0031835/step Wall: 7749.7, 0.0031835/step, 2.25321 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2452000 3996.0919 20477.3429 14476.2492 246.7319 -203175.9464 2391.5797 0.0000 0.0000 52279.5873 -109308.3634 300.4515 -161587.9507 -108954.7111 298.9841 -50.6138 -23.2259 761138.9900 1.6281 1.6631 PRESSURE: 2452200 -14.8084 42.0654 153.974 42.0659 -135.712 35.4169 153.973 35.4171 352.348 GPRESSURE: 2452200 -14.4699 57.1463 129.567 25.0961 -100.981 83.3887 142.19 -27.9159 411.191 PRESSAVG: 2452200 14.0604 20.6032 -14.9484 20.6032 -21.0359 -35.2166 -14.9485 -35.2165 -4.55028 GPRESSAVG: 2452200 13.6966 20.6682 -13.2862 21.1487 -20.957 -36.4844 -17.4015 -37.3153 -4.42538 TIMING: 2452200 CPU: 7750.34, 0.00320053/step Wall: 7750.34, 0.00320053/step, 2.26509 hours remaining, 238.617188 MB of memory in use. ENERGY: 2452200 3947.0082 20475.1257 14416.1002 235.2642 -203027.7464 2525.0479 0.0000 0.0000 52258.7432 -109170.4570 300.3317 -161429.2002 -108806.2885 299.5760 67.2756 98.5803 761537.7716 -3.8419 -3.8952 LDB: ============= START OF LOAD BALANCING ============== 7762.74 LDB: ============== END OF LOAD BALANCING =============== 7762.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7762.74 LDB: ============= START OF LOAD BALANCING ============== 7763.07 LDB: Largest compute 7033 load 0.034216 is 17.5% of average load 0.195964 LDB: Average compute 0.004413 is 2.3% of average load 0.195964 LDB: TIME 7763.07 LOAD: AVG 0.195964 MAX 0.219844 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 7763.07 LOAD: AVG 0.195964 MAX 0.219844 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: TIME 7763.07 LOAD: AVG 0.195964 MAX 0.219844 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: ============== END OF LOAD BALANCING =============== 7763.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7763.08 PRESSURE: 2452400 139.691 -258.46 202.863 -258.46 107.869 -62.3231 202.864 -62.3225 18.1189 GPRESSURE: 2452400 178.984 -231.745 229.183 -121.856 176.66 5.66219 270.683 -94.4548 11.525 PRESSAVG: 2452400 31.3277 64.8368 3.51701 64.8368 2.6648 -112.553 3.51697 -112.553 -8.95183 GPRESSAVG: 2452400 30.048 64.6572 3.75046 66.0295 3.92403 -111.554 4.89731 -110.735 -9.31712 TIMING: 2452400 CPU: 7751, 0.003287/step Wall: 7751, 0.003287/step, 2.3261 hours remaining, 238.355469 MB of memory in use. ENERGY: 2452400 3975.3901 20358.8797 14396.0307 238.5472 -203333.3460 2716.3312 0.0000 0.0000 52289.3010 -109358.8662 300.5073 -161648.1671 -108981.6399 299.9754 88.5596 122.3897 760925.0964 8.3469 8.2183 PRESSURE: 2452600 202.24 241.58 85.2159 241.58 514.762 14.7328 85.2162 14.7326 41.81 GPRESSURE: 2452600 262.937 237.41 -10.2709 165.517 481.053 89.1522 120.194 -70.0229 105.336 PRESSAVG: 2452600 32.0063 47.7215 -16.3779 47.7214 -25.1349 -43.5061 -16.3779 -43.5062 28.4028 GPRESSAVG: 2452600 31.5188 46.9581 -18.0478 47.0376 -26.4731 -43.2566 -16.7953 -44.9483 29.701 TIMING: 2452600 CPU: 7751.64, 0.00320201/step Wall: 7751.64, 0.003202/step, 2.26577 hours remaining, 238.355469 MB of memory in use. ENERGY: 2452600 3928.7083 20514.7743 14464.8320 240.2630 -203203.5990 2703.4643 0.0000 0.0000 51729.8200 -109621.7371 297.2920 -161351.5572 -109273.3306 298.8903 252.9374 283.1087 760243.9184 11.7580 11.5822 PRESSURE: 2452800 -59.782 74.9821 -198.28 74.982 24.0465 7.7567 -198.28 7.75704 84.0633 GPRESSURE: 2452800 -71.7235 -41.067 -266.424 -9.82223 48.4291 -56.4015 -28 58.4339 146.094 PRESSAVG: 2452800 -0.551158 -37.1233 20.0557 -37.1233 -3.6596 -7.14453 20.0556 -7.14459 -2.69316 GPRESSAVG: 2452800 0.505011 -35.7139 21.3337 -38.5348 -3.7155 -6.41625 19.8386 -5.45092 -3.62075 TIMING: 2452800 CPU: 7752.28, 0.00320224/step Wall: 7752.28, 0.00320224/step, 2.26577 hours remaining, 238.355469 MB of memory in use. ENERGY: 2452800 3945.1664 20484.1002 14520.6057 232.0585 -203103.2091 2477.4926 0.0000 0.0000 51844.8132 -109598.9725 297.9529 -161443.7857 -109231.6635 298.6659 16.1093 40.9332 760708.6375 -2.3013 -2.2771 PRESSURE: 2453000 -74.5308 -176.292 65.0363 -176.293 -189.831 -94.7328 65.0362 -94.7329 99.0661 GPRESSURE: 2453000 -76.814 -138.7 113.202 -196.233 -117.022 -11.1657 0.137648 6.71987 108.921 PRESSAVG: 2453000 5.15414 -18.5731 -50.0765 -18.5731 47.0938 -22.6662 -50.0764 -22.6662 4.70875 GPRESSAVG: 2453000 4.40324 -18.5928 -48.481 -16.6312 47.676 -23.8417 -49.9813 -21.8879 4.60756 TIMING: 2453000 CPU: 7752.91, 0.00318327/step Wall: 7752.91, 0.00318327/step, 2.25216 hours remaining, 238.355469 MB of memory in use. ENERGY: 2453000 3945.0406 20453.4298 14427.6096 245.0376 -203587.2778 2506.6409 0.0000 0.0000 52201.2787 -109808.2405 300.0015 -162009.5192 -109447.8662 298.4513 -55.0986 -28.3049 761219.9959 18.9856 18.8956 PRESSURE: 2453200 120.3 -38.9586 18.2178 -38.9584 -32.8733 27.4059 18.2185 27.4056 -240.128 GPRESSURE: 2453200 208.97 61.7231 11.3721 -16.1039 -23.7115 -54.6576 -30.2275 21.7725 -265.936 PRESSAVG: 2453200 -8.71421 -2.29892 1.96614 -2.29894 25.647 -0.611881 1.96616 -0.611895 9.57226 GPRESSAVG: 2453200 -9.31037 0.175453 1.57395 -2.57551 25.3865 -0.624455 -0.64919 0.45857 10.108 TIMING: 2453200 CPU: 7753.55, 0.00316517/step Wall: 7753.55, 0.00316517/step, 2.23918 hours remaining, 238.355469 MB of memory in use. ENERGY: 2453200 3898.3421 20416.5747 14488.8879 245.6243 -203791.0399 2753.5425 0.0000 0.0000 51990.6726 -109997.3958 298.7911 -161988.0684 -109639.5208 298.0107 -50.9004 -26.8925 760110.2544 8.8350 8.7281 PRESSURE: 2453400 185.796 -22.8365 125.296 -22.8363 138.057 -278.916 125.296 -278.917 73.5716 GPRESSURE: 2453400 181.525 2.57622 113.575 -33.4242 161.969 -277.94 147.341 -164.434 143.598 PRESSAVG: 2453400 -17.3241 12.5229 1.05603 12.5229 47.0656 -13.4152 1.05596 -13.4152 -10.7302 GPRESSAVG: 2453400 -17.0687 10.3177 -1.98128 12.4669 46.7448 -12.4283 2.66972 -13.5759 -11.3945 TIMING: 2453400 CPU: 7754.18, 0.00317435/step Wall: 7754.18, 0.00317435/step, 2.2455 hours remaining, 238.355469 MB of memory in use. ENERGY: 2453400 3879.9889 20439.6958 14475.6517 228.9898 -203746.4019 2670.4633 0.0000 0.0000 51938.5182 -110113.0943 298.4914 -162051.6125 -109751.0608 298.0333 132.4747 162.3642 758646.2869 6.3371 6.0939 PRESSURE: 2453600 135.742 250.429 74.3102 250.431 240.876 67.2693 74.3107 67.2698 141.406 GPRESSURE: 2453600 275.624 239.688 49.7733 240.901 198.045 48.2578 38.0028 22.6773 110.272 PRESSAVG: 2453600 20.0559 11.7898 -50.4297 11.7899 21.1288 -25.9806 -50.4297 -25.9806 11.0554 GPRESSAVG: 2453600 20.3275 11.9808 -46.5408 10.304 22.03 -27.2593 -49.8553 -25.3837 9.72738 TIMING: 2453600 CPU: 7754.82, 0.0031992/step Wall: 7754.82, 0.0031992/step, 2.2629 hours remaining, 238.355469 MB of memory in use. ENERGY: 2453600 3934.9788 20443.3293 14448.1838 247.3195 -203731.6795 2794.2138 0.0000 0.0000 52152.3420 -109711.3123 299.7202 -161863.6543 -109350.2258 298.3759 172.6749 194.6471 759694.1887 17.4134 17.3616 PRESSURE: 2453800 -4.71343 -215.96 45.7569 -215.96 -46.1397 52.6112 45.757 52.6111 -430.827 GPRESSURE: 2453800 20.952 -232.668 111.509 -273.976 72.5765 -65.6557 77.7725 136.495 -476.768 PRESSAVG: 2453800 39.507 -3.90875 -2.58637 -3.90875 -41.436 -20.7336 -2.5863 -20.7336 0.202493 GPRESSAVG: 2453800 38.6401 -4.90174 -3.77347 -2.83104 -41.4382 -19.6221 -1.7311 -21.741 0.819657 TIMING: 2453800 CPU: 7755.46, 0.00318474/step Wall: 7755.46, 0.00318474/step, 2.2525 hours remaining, 238.355469 MB of memory in use. ENERGY: 2453800 3999.7593 20490.9316 14455.8789 238.4695 -203566.5523 2546.4156 0.0000 0.0000 52190.7418 -109644.3556 299.9409 -161835.0974 -109284.8955 298.9516 -160.5599 -127.7466 759900.5754 -0.5755 -0.6595 PRESSURE: 2454000 293.924 68.6277 -147.71 68.6288 61.8788 194.523 -147.711 194.523 -76.9907 GPRESSURE: 2454000 211.285 -56.7243 -188.812 -17.1576 174.616 208.835 -37.7745 194.685 -33.7955 PRESSAVG: 2454000 17.4476 -40.8277 11.2293 -40.8278 -29.1308 -23.6231 11.2293 -23.623 18.6085 GPRESSAVG: 2454000 17.5702 -40.3921 10.7077 -42.6822 -29.7286 -24.4796 11.8283 -25.2138 19.0608 TIMING: 2454000 CPU: 7756.09, 0.003186/step Wall: 7756.09, 0.003186/step, 2.25321 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2454000 3971.6795 20399.4947 14484.4196 250.2038 -203522.5141 2596.2402 0.0000 0.0000 52171.7019 -109648.7744 299.8315 -161820.4763 -109288.0383 299.1847 92.9373 117.3684 762181.1241 2.3084 2.3008 PRESSURE: 2454200 -37.1542 73.7378 -32.4551 73.7369 373.797 130.3 -32.455 130.299 185.102 GPRESSURE: 2454200 26.6203 86.9498 -67.0812 44.45 359.067 214.014 -74.9705 80.8278 209.995 PRESSAVG: 2454200 19.1977 -45.1262 8.25036 -45.1261 -42.4345 23.4808 8.25044 23.4808 -14.08 GPRESSAVG: 2454200 18.9162 -43.0066 9.8641 -45.2248 -42.654 23.9424 6.55976 22.6549 -14.3905 TIMING: 2454200 CPU: 7756.73, 0.00316685/step Wall: 7756.73, 0.00316685/step, 2.23949 hours remaining, 238.355469 MB of memory in use. ENERGY: 2454200 3966.2260 20623.5123 14451.1391 239.5633 -203604.3963 2757.7897 0.0000 0.0000 51944.7379 -109621.4280 298.5271 -161566.1659 -109259.5292 299.1004 173.9149 198.5606 759286.6117 -12.4389 -12.7094 PRESSURE: 2454400 -205.638 -187.499 122.249 -187.5 3.43721 -61.2775 122.25 -61.2775 184.94 GPRESSURE: 2454400 -174.222 -161.995 93.2534 -233.386 105.304 -43.3931 36.3941 0.12982 146.825 PRESSAVG: 2454400 65.1095 -36.8753 0.525203 -36.8753 -17.7396 -28.9504 0.525171 -28.9504 -7.74212 GPRESSAVG: 2454400 65.0285 -38.9242 -1.08994 -34.9758 -16.6929 -28.7824 -0.810953 -28.472 -8.37618 TIMING: 2454400 CPU: 7757.36, 0.00318253/step Wall: 7757.36, 0.00318253/step, 2.2504 hours remaining, 238.355469 MB of memory in use. ENERGY: 2454400 3973.5291 20570.8867 14473.3229 253.0735 -203530.3143 2687.4855 0.0000 0.0000 52139.6223 -109432.3942 299.6471 -161572.0165 -109067.3355 299.5177 -5.7537 25.9692 760629.1449 13.2092 13.3198 PRESSURE: 2454600 -7.30959 178.408 -173.149 178.409 194.648 16.8858 -173.149 16.8851 -135.927 GPRESSURE: 2454600 -9.46266 152.392 -117.802 221.268 195.696 -56.3394 -141.373 20.6698 -60.7774 PRESSAVG: 2454600 -71 5.56164 -74.2316 5.56157 22.4122 -57.8988 -74.2315 -57.8988 9.14695 GPRESSAVG: 2454600 -70.8718 6.37669 -74.148 5.58934 21.7452 -57.931 -70.7276 -57.8827 10.0326 TIMING: 2454600 CPU: 7758, 0.00319414/step Wall: 7758, 0.00319414/step, 2.25843 hours remaining, 238.355469 MB of memory in use. ENERGY: 2454600 4009.3503 20642.5883 14455.7343 239.5387 -203083.1992 2420.4529 0.0000 0.0000 52115.0606 -109200.4742 299.5060 -161315.5348 -108843.9086 299.4843 17.1371 41.8186 760070.4049 -13.1469 -13.0313 PRESSURE: 2454800 -313.37 -182.849 -58.6276 -182.848 129.409 -55.3968 -58.6272 -55.396 -20.6106 GPRESSURE: 2454800 -185.13 -127.084 -123.157 -118.604 163.271 -83.0866 -17.4998 -37.4435 -86.4321 PRESSAVG: 2454800 15.6552 -2.53866 -19.6113 -2.53865 0.628712 -8.72024 -19.6113 -8.72029 34.4125 GPRESSAVG: 2454800 16.1061 -1.27646 -20.0689 -3.49633 -0.268403 -8.32957 -19.0327 -7.11601 34.8914 TIMING: 2454800 CPU: 7758.64, 0.00317443/step Wall: 7758.64, 0.00317443/step, 2.24432 hours remaining, 238.355469 MB of memory in use. ENERGY: 2454800 3968.7567 20668.4221 14392.8010 227.1744 -203367.5967 2668.3446 0.0000 0.0000 51988.3963 -109453.7016 298.7780 -161442.0978 -109095.8803 299.5030 -68.1908 -36.0969 762533.4182 16.8988 16.9097 PRESSURE: 2455000 230.682 -105.492 97.2508 -105.493 221.4 65.7487 97.2508 65.749 25.5955 GPRESSURE: 2455000 203.308 -136.742 51.6795 -156.393 307.463 89.4198 222.654 37.8579 58.6654 PRESSAVG: 2455000 -75.9327 -32.8225 6.57133 -32.8225 38.7497 -1.65042 6.57135 -1.65042 9.05212 GPRESSAVG: 2455000 -77.6433 -34.7603 6.96983 -31.4502 39.6435 -3.78519 4.83729 -1.37305 9.9264 TIMING: 2455000 CPU: 7759.28, 0.00318965/step Wall: 7759.28, 0.00318965/step, 2.2549 hours remaining, 238.355469 MB of memory in use. ENERGY: 2455000 3956.0352 20611.7910 14440.8261 249.1566 -203178.7297 2532.1603 0.0000 0.0000 51930.1939 -109458.5666 298.4435 -161388.7605 -109091.7428 299.0986 159.2259 189.8121 761586.5048 -9.3770 -9.3578 PRESSURE: 2455200 -16.679 -164.139 -173.063 -164.139 255.96 73.9883 -173.063 73.988 67.4914 GPRESSURE: 2455200 -75.0448 -109.184 -160.046 -103.79 366.059 85.1677 -142.664 -3.57607 110.077 PRESSAVG: 2455200 -15.6454 -29.473 -13.0359 -29.4729 3.1868 -61.1039 -13.0359 -61.1039 -15.1103 GPRESSAVG: 2455200 -15.6836 -28.0895 -11.9161 -31.2626 3.53051 -61.3201 -13.2417 -61.6162 -15.4813 TIMING: 2455200 CPU: 7759.91, 0.00316956/step Wall: 7759.91, 0.00316956/step, 2.24053 hours remaining, 238.613281 MB of memory in use. ENERGY: 2455200 3971.6292 20424.4749 14422.4739 262.9946 -203568.7129 2701.2451 0.0000 0.0000 52193.8673 -109592.0278 299.9589 -161785.8951 -109236.3571 299.2051 102.2575 133.6972 760623.6539 -9.1896 -9.2115 PRESSURE: 2455400 176.717 -293.764 -106.125 -293.764 -177.579 -31.5755 -106.125 -31.5743 -365.555 GPRESSURE: 2455400 208.042 -218.958 -44.8261 -127.499 -103.851 -79.1441 -81.4845 -45.5721 -388.246 PRESSAVG: 2455400 79.3271 -25.6725 -12.1823 -25.6725 -84.5607 -22.6531 -12.1823 -22.6531 -5.31217 GPRESSAVG: 2455400 79.8437 -26.3691 -12.4038 -23.8385 -84.6019 -20.0457 -11.4158 -24.3978 -6.05256 TIMING: 2455400 CPU: 7760.55, 0.00318002/step Wall: 7760.55, 0.00318002/step, 2.24774 hours remaining, 238.613281 MB of memory in use. ENERGY: 2455400 3941.7655 20629.6201 14496.9553 256.9699 -203396.3194 2551.1252 0.0000 0.0000 51819.9894 -109699.8940 297.8102 -161519.8833 -109341.2897 298.9145 -122.1390 -94.6849 761946.7751 -3.5152 -3.6036 PRESSURE: 2455600 -55.4323 108.752 91.4553 108.752 -279.516 -115.852 91.4551 -115.852 163.938 GPRESSURE: 2455600 5.43025 61.4147 71.362 37.0764 -266.132 -79.7271 83.9213 -39.2377 153.472 PRESSAVG: 2455600 -2.97147 -45.9436 9.79718 -45.9436 -3.19394 6.09545 9.79722 6.09552 38.6861 GPRESSAVG: 2455600 -1.73668 -43.9817 9.15688 -47.28 -3.81118 4.71469 10.5346 8.99256 38.0403 TIMING: 2455600 CPU: 7761.18, 0.003157/step Wall: 7761.18, 0.003157/step, 2.2313 hours remaining, 238.613281 MB of memory in use. ENERGY: 2455600 3913.3912 20531.6677 14458.6944 247.4978 -203499.8133 2560.0020 0.0000 0.0000 52242.7764 -109545.7838 300.2400 -161788.5602 -109181.9342 299.1038 -57.0035 -35.7432 761720.6693 10.8402 10.8308 PRESSURE: 2455800 -292.573 -13.4761 67.1791 -13.4754 -82.0597 10.3208 67.1796 10.3204 188.098 GPRESSURE: 2455800 -256.195 -45.7734 127.741 -4.11532 -38.7126 17.2793 80.3792 -57.5093 195.412 PRESSAVG: 2455800 3.73795 -29.3529 -16.7213 -29.3529 -17.2431 4.34455 -16.7212 4.34452 -33.2008 GPRESSAVG: 2455800 3.18541 -29.8233 -16.9634 -29.4448 -17.1698 3.52943 -18.1809 4.68505 -32.4146 TIMING: 2455800 CPU: 7761.81, 0.00317893/step Wall: 7761.81, 0.00317894/step, 2.24662 hours remaining, 238.613281 MB of memory in use. ENERGY: 2455800 3961.6567 20728.3057 14422.2470 243.4929 -203404.0502 2516.9549 0.0000 0.0000 52112.6653 -109418.7276 299.4922 -161531.3930 -109055.8304 299.5020 -62.1784 -33.1654 763945.0418 -15.5686 -15.4663 PRESSURE: 2456000 223.509 48.4804 -230.661 48.4802 267.015 -69.7558 -230.662 -69.7543 342.541 GPRESSURE: 2456000 266.745 3.15321 -193.16 -12.2821 346.65 -25.5416 -252.558 -134.086 313.607 PRESSAVG: 2456000 -25.4194 19.7343 1.33733 19.7343 8.47202 61.0707 1.33736 61.0707 0.852451 GPRESSAVG: 2456000 -25.7157 17.8383 1.83265 20.6315 8.06223 62.2147 1.70017 59.2935 1.79837 TIMING: 2456000 CPU: 7762.45, 0.00318162/step Wall: 7762.45, 0.00318162/step, 2.24834 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2456000 3997.7056 20554.3910 14472.7419 260.7290 -203850.0766 3085.9628 0.0000 0.0000 52168.6754 -109309.8709 299.8141 -161478.5463 -108947.7609 299.7122 277.6885 309.0005 760976.0650 -5.3650 -5.2850 PRESSURE: 2456200 266.731 109.358 -123.791 109.358 17.0782 -60.9515 -123.79 -60.9519 29.7644 GPRESSURE: 2456200 292.658 84.5831 -88.8443 214.769 69.8417 -93.9104 -181.733 -44.8524 55.714 PRESSAVG: 2456200 22.1463 28.0902 10.0238 28.0902 5.28087 -44.0698 10.0238 -44.0698 6.34907 GPRESSAVG: 2456200 22.2685 29.0582 11.1606 26.9627 5.48116 -43.4853 10.212 -43.0897 5.65127 TIMING: 2456200 CPU: 7763.08, 0.00315222/step Wall: 7763.08, 0.00315222/step, 2.2274 hours remaining, 238.613281 MB of memory in use. ENERGY: 2456200 4035.8305 20713.8469 14445.1472 233.3265 -203492.7671 2673.3260 0.0000 0.0000 51978.5646 -109412.7254 298.7215 -161391.2899 -109055.4101 299.7825 104.5245 139.4046 761643.3033 11.2588 11.1336 LDB: ============= START OF LOAD BALANCING ============== 7775.48 LDB: ============== END OF LOAD BALANCING =============== 7775.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7775.48 LDB: ============= START OF LOAD BALANCING ============== 7775.8 LDB: Largest compute 7034 load 0.033484 is 17.1% of average load 0.195989 LDB: Average compute 0.004420 is 2.3% of average load 0.195989 LDB: TIME 7775.8 LOAD: AVG 0.195989 MAX 0.219663 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 7775.8 LOAD: AVG 0.195989 MAX 0.219663 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 7775.8 LOAD: AVG 0.195989 MAX 0.219663 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 7775.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7775.81 PRESSURE: 2456400 132.814 109.692 138.084 109.692 53.2577 -40.5726 138.084 -40.5728 -241.063 GPRESSURE: 2456400 194.008 163.088 140.068 126.763 29.2624 34.4496 127.135 -69.7662 -178.554 PRESSAVG: 2456400 -33.4579 19.5931 58.3505 19.5931 6.2233 -8.35814 58.3505 -8.35812 2.9333 GPRESSAVG: 2456400 -33.7335 20.0727 56.4009 20.9652 4.8839 -8.30131 60.5845 -9.62788 4.44174 TIMING: 2456400 CPU: 7763.73, 0.00323105/step Wall: 7763.73, 0.00323105/step, 2.28292 hours remaining, 239.125000 MB of memory in use. ENERGY: 2456400 3969.0970 20504.4108 14475.8028 254.2582 -203198.8939 2433.2788 0.0000 0.0000 52140.8987 -109421.1476 299.6545 -161562.0463 -109066.3833 299.4936 -18.3302 14.9055 761840.2152 -8.1004 -8.1359 PRESSURE: 2456600 -104.344 -71.4628 -18.8733 -71.4626 -18.7985 -75.7753 -18.8737 -75.7759 -33.1368 GPRESSURE: 2456600 -180.538 -62.2975 27.3243 7.04344 159.007 -21.6686 -121.868 -84.2165 -61.6891 PRESSAVG: 2456600 -21.0126 -7.39099 -4.17684 -7.39099 -3.68264 -11.1773 -4.1769 -11.1774 8.2001 GPRESSAVG: 2456600 -20.7901 -7.98843 -6.27952 -7.33565 -2.11959 -11.237 -5.49597 -10.5865 6.05907 TIMING: 2456600 CPU: 7764.36, 0.0031867/step Wall: 7764.36, 0.00318671/step, 2.25141 hours remaining, 239.328125 MB of memory in use. ENERGY: 2456600 3950.7449 20430.2503 14463.1547 267.5299 -203351.9569 2672.5214 0.0000 0.0000 52010.8600 -109556.8956 298.9071 -161567.7556 -109197.0774 298.4938 -52.0931 -27.7401 762429.6572 -5.4984 -5.6169 PRESSURE: 2456800 388.028 -69.6713 42.2924 -69.672 220.109 -17.8495 42.2919 -17.8489 -54.9963 GPRESSURE: 2456800 397.639 -63.1453 25.7407 106.307 209.591 15.7967 136.154 -116.938 24.5785 PRESSAVG: 2456800 -17.3251 40.3308 44.2833 40.3307 32.0009 -22.9824 44.2833 -22.9823 1.00654 GPRESSAVG: 2456800 -17.2658 40.7613 47.4182 40.9993 30.9512 -23.1942 42.9308 -23.4626 1.71826 TIMING: 2456800 CPU: 7765, 0.00318419/step Wall: 7765, 0.00318419/step, 2.24945 hours remaining, 239.328125 MB of memory in use. ENERGY: 2456800 3986.8417 20447.0972 14341.8916 246.2060 -203293.7805 2707.5232 0.0000 0.0000 52001.3268 -109562.8941 298.8523 -161564.2208 -109205.7722 298.9399 184.3804 210.6028 763464.0019 5.2275 5.1346 PRESSURE: 2457000 -48.2218 137.245 38.8418 137.245 198.27 -52.9477 38.8423 -52.9464 86.4146 GPRESSURE: 2457000 48.3782 87.0696 -5.13516 132.297 161.021 20.2403 104.013 -3.16288 98.8594 PRESSAVG: 2457000 -95.1932 -29.2162 27.5363 -29.2162 53.6426 -9.72903 27.5362 -9.729 -13.5193 GPRESSAVG: 2457000 -94.6473 -28.5631 28.2352 -33.3561 54.1802 -9.93336 27.3039 -9.16525 -14.1438 TIMING: 2457000 CPU: 7765.64, 0.00317496/step Wall: 7765.64, 0.00317497/step, 2.24276 hours remaining, 239.328125 MB of memory in use. ENERGY: 2457000 4058.4017 20391.9657 14467.2343 227.6106 -203091.5977 2654.4573 0.0000 0.0000 51950.2912 -109341.6370 298.5590 -161291.9282 -108977.9285 299.1008 78.8208 102.7530 764559.0376 -18.3566 -18.2036 PRESSURE: 2457200 -200.621 153.264 11.4547 153.264 41.4987 207.93 11.4552 207.928 186.603 GPRESSURE: 2457200 -234.769 159.752 153.008 64.3886 93.0164 169.787 -25.4442 235.997 236.955 PRESSAVG: 2457200 -45.2433 0.234618 -8.07863 0.234557 33.9829 27.8107 -8.07859 27.8107 10.976 GPRESSAVG: 2457200 -46.4534 0.885713 -8.9991 3.59296 34.3531 27.0562 -7.94996 27.1159 11.6485 TIMING: 2457200 CPU: 7766.26, 0.00313914/step Wall: 7766.26, 0.00313914/step, 2.21728 hours remaining, 239.328125 MB of memory in use. ENERGY: 2457200 3994.6030 20330.6459 14415.4600 245.4259 -202933.7376 2494.9842 0.0000 0.0000 52104.4142 -109348.2044 299.4448 -161452.6186 -108973.5122 299.5581 9.1601 31.7342 761476.7468 -0.0948 -0.1506 PRESSURE: 2457400 -236.887 -90.124 41.9647 -90.1235 -94.31 -108.859 41.9655 -108.86 35.0381 GPRESSURE: 2457400 -119.995 -43.7176 104.709 -130.731 -133.042 -74.1859 17.6209 69.4143 33.5099 PRESSAVG: 2457400 -29.5987 18.4756 -34.8085 18.4756 47.6111 13.2399 -34.8085 13.24 -16.836 GPRESSAVG: 2457400 -28.491 16.946 -34.4966 20.8635 47.2418 12.4646 -34.5669 14.3424 -17.3898 TIMING: 2457400 CPU: 7766.89, 0.00315381/step Wall: 7766.89, 0.00315381/step, 2.22747 hours remaining, 239.328125 MB of memory in use. ENERGY: 2457400 4008.2641 20471.4677 14378.4116 246.9971 -203447.0927 2752.1409 0.0000 0.0000 52093.0336 -109496.7778 299.3794 -161589.8113 -109135.5786 299.2861 -98.7197 -73.1756 760465.0966 0.3921 0.4537 PRESSURE: 2457600 -79.717 98.0428 -33.8652 98.0421 -609.603 -180.056 -33.865 -180.056 -145.805 GPRESSURE: 2457600 -119.364 -52.1772 11.6829 63.1022 -414.02 -167.102 -27.2456 -167.626 -227.967 PRESSAVG: 2457600 -7.59132 8.3582 -0.762734 8.35828 -52.8099 19.2154 -0.762699 19.2154 18.2903 GPRESSAVG: 2457600 -6.6355 5.99335 -2.04541 7.88852 -53.2368 19.3478 0.237161 17.8892 18.0955 TIMING: 2457600 CPU: 7767.53, 0.00316766/step Wall: 7767.53, 0.00316766/step, 2.23707 hours remaining, 239.328125 MB of memory in use. ENERGY: 2457600 4064.4941 20565.7419 14405.6633 230.9577 -203465.0718 2554.9996 0.0000 0.0000 52346.6333 -109296.5819 300.8368 -161643.2152 -108940.6224 299.4528 -278.3750 -253.7836 761158.1704 -14.0370 -13.9256 PRESSURE: 2457800 190.698 -24.3972 -33.134 -24.3975 -155.588 66.5664 -33.1349 66.5675 -11.3725 GPRESSURE: 2457800 199.1 -81.6815 -89.9079 91.9701 -87.9204 96.6708 -170.122 -72.918 -5.69087 PRESSAVG: 2457800 -50.0724 -32.1627 -8.03427 -32.1626 34.8307 -0.0960458 -8.03425 -0.0959947 -0.0233098 GPRESSAVG: 2457800 -51.3794 -30.4317 -7.65519 -33.595 35.2845 -0.208193 -8.63899 0.237128 0.905959 TIMING: 2457800 CPU: 7768.16, 0.00315973/step Wall: 7768.16, 0.00315973/step, 2.2313 hours remaining, 239.328125 MB of memory in use. ENERGY: 2457800 4024.4669 20531.6312 14350.1308 237.0912 -203200.3767 2478.8030 0.0000 0.0000 52122.3895 -109455.8641 299.5481 -161578.2536 -109096.7243 299.5331 7.9124 35.1630 761167.4391 -5.0883 -5.0630 PRESSURE: 2458000 57.3615 79.2968 54.9849 79.2977 163.564 -4.44512 54.9849 -4.44537 -195.202 GPRESSURE: 2458000 57.3052 147.562 84.683 64.2795 158.94 0.950664 20.9072 41.0762 -101.765 PRESSAVG: 2458000 8.78166 -0.941444 3.06875 -0.941372 -43.4315 -8.52735 3.06873 -8.52738 2.82307 GPRESSAVG: 2458000 10.0577 0.884747 4.65757 0.0297778 -44.1834 -8.21054 2.89967 -7.71736 2.98491 TIMING: 2458000 CPU: 7768.79, 0.00317772/step Wall: 7768.79, 0.00317772/step, 2.24382 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2458000 3970.1212 20578.3104 14463.9062 261.2234 -202918.2392 2415.5870 0.0000 0.0000 51893.3657 -109335.7252 298.2319 -161229.0909 -108975.3053 299.1460 8.5743 38.1602 760435.9970 -10.6089 -10.3803 PRESSURE: 2458200 -200.301 -174.966 60.8689 -174.966 -119.751 207.769 60.8685 207.769 -188.82 GPRESSURE: 2458200 -107.592 -288.361 103.235 -162.159 -148.307 232.221 -67.4483 142.796 -182.288 PRESSAVG: 2458200 33.2774 -42.0245 43.5042 -42.0245 -29.2048 12.8067 43.5042 12.8067 0.177263 GPRESSAVG: 2458200 33.6776 -44.4164 44.746 -43.1189 -28.6835 12.268 43.8074 13.5904 -0.250777 TIMING: 2458200 CPU: 7769.43, 0.0031663/step Wall: 7769.43, 0.0031663/step, 2.23558 hours remaining, 239.328125 MB of memory in use. ENERGY: 2458200 3994.1269 20596.8748 14426.0784 245.1880 -203102.8996 2478.7618 0.0000 0.0000 52036.2768 -109325.5928 299.0532 -161361.8696 -108969.2602 299.7410 -169.6237 -146.0622 760600.5483 1.4166 1.5811 PRESSURE: 2458400 -132.127 213.188 240.969 213.189 -126.862 -330.957 240.969 -330.957 223.069 GPRESSURE: 2458400 -6.7021 142.237 207.694 299.675 -166.211 -394.867 302.802 -307.078 207.929 PRESSAVG: 2458400 85.4166 -10.5088 91.4608 -10.5088 -71.8071 19.0648 91.4608 19.0647 4.91966 GPRESSAVG: 2458400 84.2802 -11.1909 88.5187 -8.7347 -70.6203 20.3106 91.2508 17.7183 5.39435 TIMING: 2458400 CPU: 7770.06, 0.00316873/step Wall: 7770.06, 0.00316873/step, 2.23713 hours remaining, 239.328125 MB of memory in use. ENERGY: 2458400 4053.6272 20602.3879 14454.7130 249.2016 -203182.3015 2342.3087 0.0000 0.0000 52343.0848 -109136.9783 300.8164 -161480.0631 -108782.2918 299.5898 -11.9732 11.6720 760380.7699 6.1764 6.3514 PRESSURE: 2458600 140.324 -73.4228 -102.008 -73.4219 -290.145 10.0159 -102.009 10.0165 206.357 GPRESSURE: 2458600 210.601 -70.7087 -47.9166 -97.1237 -286.994 24.6308 -85.7154 78.6742 222.482 PRESSAVG: 2458600 47.4099 -21.566 21.1645 -21.5661 -76.3002 47.1411 21.1645 47.1411 -1.24417 GPRESSAVG: 2458600 47.6651 -18.8205 23.2012 -22.8643 -76.3193 47.7433 22.587 47.6583 -1.08647 TIMING: 2458600 CPU: 7770.69, 0.00316398/step Wall: 7770.69, 0.00316399/step, 2.2336 hours remaining, 239.328125 MB of memory in use. ENERGY: 2458600 4031.3094 20532.3028 14479.2903 239.1333 -203584.4014 2922.1461 0.0000 0.0000 51929.2276 -109450.9919 298.4380 -161380.2195 -109087.9987 299.1061 18.8453 48.6966 761741.9237 -10.0448 -9.9135 PRESSURE: 2458800 318.979 20.4238 79.7073 20.4235 177.183 201.424 79.707 201.423 166.055 GPRESSURE: 2458800 332.79 -81.117 92.9597 180.768 255.509 230.73 -25.9688 81.2343 175.834 PRESSAVG: 2458800 42.0102 -39.0728 60.9048 -39.0729 -45.1395 -8.01258 60.9048 -8.01263 12.8107 GPRESSAVG: 2458800 43.2442 -40.1865 60.7587 -38.632 -46.3333 -8.0324 60.339 -8.98695 12.7489 TIMING: 2458800 CPU: 7771.33, 0.00318121/step Wall: 7771.33, 0.00318121/step, 2.24558 hours remaining, 239.328125 MB of memory in use. ENERGY: 2458800 4015.8825 20605.7378 14397.9175 257.8128 -203812.2912 2922.5511 0.0000 0.0000 52060.0770 -109552.3124 299.1900 -161612.3894 -109199.3080 299.2785 220.7390 254.7111 762574.1236 3.2271 3.2199 PRESSURE: 2459000 178.504 67.4483 63.1366 67.4481 -311.996 -50.5173 63.1375 -50.5188 186.669 GPRESSURE: 2459000 96.2184 94.014 24.2746 29.1115 -156.432 34.2943 82.0972 -178.071 188.25 PRESSAVG: 2459000 43.7135 -11.5561 2.67233 -11.5562 -34.393 -48.1374 2.67236 -48.1374 -13.8507 GPRESSAVG: 2459000 42.8401 -9.37329 1.6094 -12.1291 -33.4749 -48.8587 0.309277 -48.7318 -13.6124 TIMING: 2459000 CPU: 7771.97, 0.00317278/step Wall: 7771.97, 0.00317278/step, 2.23946 hours remaining, 239.328125 MB of memory in use. ENERGY: 2459000 4041.8975 20586.2766 14361.5362 239.0585 -203436.7643 2703.8985 0.0000 0.0000 52039.9254 -109464.1717 299.0742 -161504.0970 -109091.3806 299.2920 17.7256 42.6788 763044.4163 -1.5101 -1.4157 PRESSURE: 2459200 136.835 8.82788 -78.4728 8.82807 -226.849 2.35615 -78.4728 2.35561 -301.113 GPRESSURE: 2459200 66.2032 5.85455 -68.237 -57.4379 -202.817 80.1031 121.857 -144.092 -183.81 PRESSAVG: 2459200 -33.66 1.61193 21.7333 1.61192 -23.073 8.96989 21.7332 8.96984 29.5389 GPRESSAVG: 2459200 -33.8271 -2.36377 21.1615 3.09618 -23.4517 10.4138 25.3932 7.65775 29.7522 TIMING: 2459200 CPU: 7772.6, 0.00317332/step Wall: 7772.6, 0.00317332/step, 2.23966 hours remaining, 239.328125 MB of memory in use. ENERGY: 2459200 3956.8659 20657.9254 14377.9839 251.9614 -203273.2502 2541.5103 0.0000 0.0000 51928.3789 -109558.6244 298.4331 -161487.0033 -109192.0529 298.8796 -130.3755 -106.8079 761790.9159 -9.0647 -9.1755 PRESSURE: 2459400 227.98 -225.432 -82.6323 -225.432 136.46 6.94388 -82.6331 6.94367 223.359 GPRESSURE: 2459400 192.396 -280.155 -181.982 -186.247 229.056 -40.946 -79.3568 -10.8147 227.003 PRESSAVG: 2459400 28.7297 -17.8379 19.5954 -17.838 -50.8761 6.96007 19.5953 6.96007 -10.6086 GPRESSAVG: 2459400 29.5138 -14.3038 18.6369 -19.6504 -51.7155 6.69307 17.7203 9.31092 -10.4032 TIMING: 2459400 CPU: 7773.23, 0.00317281/step Wall: 7773.23, 0.00317281/step, 2.23912 hours remaining, 239.328125 MB of memory in use. ENERGY: 2459400 3992.7191 20677.5835 14473.8021 262.8990 -203157.3618 2500.5946 0.0000 0.0000 51844.3049 -109405.4586 297.9499 -161249.7636 -109056.4552 299.1435 195.9330 216.1517 761686.8607 -10.9183 -10.8683 PRESSURE: 2459600 -401.523 44.1274 316.747 44.127 -249.673 87.5862 316.746 87.5859 -59.6758 GPRESSURE: 2459600 -289.995 73.7411 208.184 110.859 -215.071 108.564 313.078 162.889 -114.783 PRESSAVG: 2459600 48.9126 -30.7438 -8.14569 -30.7438 -49.5295 32.9025 -8.14565 32.9026 -4.02784 GPRESSAVG: 2459600 49.62 -32.0691 -7.73026 -30.683 -49.4345 31.2175 -8.97136 33.8967 -4.84965 TIMING: 2459600 CPU: 7773.87, 0.00319536/step Wall: 7773.87, 0.00319537/step, 2.25486 hours remaining, 239.328125 MB of memory in use. ENERGY: 2459600 4032.1518 20642.9132 14529.1496 271.4404 -202973.3612 2216.4838 0.0000 0.0000 51873.7098 -109407.5126 298.1189 -161281.2224 -109052.2179 299.4811 -236.9572 -206.6160 762743.2264 -1.5482 -1.5547 PRESSURE: 2459800 53.7306 -73.1637 -168.346 -73.1636 169.681 310.016 -168.345 310.015 586.563 GPRESSURE: 2459800 100.431 -158.7 -74.6184 -57.7948 162.984 349.646 -172.744 148.217 621.82 PRESSAVG: 2459800 68.3331 -35.6627 -38.0896 -35.6627 -92.8799 43.5252 -38.0895 43.5252 7.14915 GPRESSAVG: 2459800 67.3662 -35.7851 -36.5049 -34.7963 -91.6975 44.0342 -38.5201 40.2699 6.68143 TIMING: 2459800 CPU: 7774.51, 0.00319169/step Wall: 7774.51, 0.00319169/step, 2.25209 hours remaining, 239.328125 MB of memory in use. ENERGY: 2459800 4010.9189 20477.8212 14460.7453 236.7557 -203487.4422 2810.2253 0.0000 0.0000 52169.6061 -109321.3698 299.8194 -161490.9759 -108965.7144 298.9430 269.9917 295.0785 760267.4664 -5.7992 -5.8833 PRESSURE: 2460000 127.277 -363.31 74.5223 -363.31 -196.685 -50.0681 74.5222 -50.0683 128.103 GPRESSURE: 2460000 149.761 -325.786 73.1164 -255.624 -174.697 -81.4494 0.551429 26.1973 160.261 PRESSAVG: 2460000 37.6676 -39.7091 6.29981 -39.709 -42.6777 44.0064 6.29984 44.0064 2.80833 GPRESSAVG: 2460000 38.2355 -41.6804 4.55145 -37.5237 -44.4652 44.5452 6.83249 44.6179 4.15095 TIMING: 2460000 CPU: 7775.15, 0.00317144/step Wall: 7775.15, 0.00317144/step, 2.23763 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2460000 4012.9583 20441.4014 14394.9641 258.8124 -203429.6194 2727.4781 0.0000 0.0000 52345.3987 -109248.6064 300.8297 -161594.0051 -108887.0598 299.7169 19.5649 45.1083 762365.8445 -0.7339 -0.6929 PRESSURE: 2460200 230.048 85.885 -154.947 85.8856 148.565 -332.632 -154.948 -332.631 278.948 GPRESSURE: 2460200 262.605 43.6421 -179.868 99.1753 159.958 -256.136 -45.799 -284.587 313.179 PRESSAVG: 2460200 37.5576 -38.0303 108.806 -38.0304 -74.2856 -1.99118 108.806 -1.99128 11.5413 GPRESSAVG: 2460200 37.2125 -36.8568 110.054 -40.1384 -73.177 -1.96773 105.961 0.468202 11.158 TIMING: 2460200 CPU: 7775.78, 0.00318034/step Wall: 7775.78, 0.00318034/step, 2.24373 hours remaining, 239.328125 MB of memory in use. ENERGY: 2460200 3890.7857 20401.6894 14473.1177 257.6325 -203507.7900 2796.1935 0.0000 0.0000 52198.7461 -109489.6251 299.9869 -161688.3712 -109125.3444 299.7215 219.1870 245.2474 760933.2930 -8.3956 -8.2688 LDB: ============= START OF LOAD BALANCING ============== 7788.18 LDB: ============== END OF LOAD BALANCING =============== 7788.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7788.18 LDB: ============= START OF LOAD BALANCING ============== 7788.5 LDB: Largest compute 7045 load 0.035170 is 18.0% of average load 0.195801 LDB: Average compute 0.004415 is 2.3% of average load 0.195801 LDB: TIME 7788.5 LOAD: AVG 0.195801 MAX 0.220604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 7788.5 LOAD: AVG 0.195801 MAX 0.220604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 7788.5 LOAD: AVG 0.195801 MAX 0.217702 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 7788.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7788.51 PRESSURE: 2460400 -167.708 -140.773 -196.215 -140.771 73.0331 -109.384 -196.214 -109.385 -13.084 GPRESSURE: 2460400 -130.713 -259.417 -133.637 -30.6976 116.317 -133.9 -209.852 -184.496 -10.0378 PRESSAVG: 2460400 38.6101 -22.3756 -19.1289 -22.3756 -23.5616 -2.0755 -19.1289 -2.07542 -5.09125 GPRESSAVG: 2460400 39.2034 -20.7283 -19.1607 -21.8677 -23.5844 -2.0986 -16.7263 -4.33242 -5.57469 TIMING: 2460400 CPU: 7776.43, 0.0032305/step Wall: 7776.43, 0.0032305/step, 2.27894 hours remaining, 237.843750 MB of memory in use. ENERGY: 2460400 3997.3543 20513.2189 14429.6519 250.2155 -203430.9229 2669.3418 0.0000 0.0000 52074.7456 -109496.3949 299.2743 -161571.1405 -109150.8542 299.5149 -35.9195 -8.1446 761434.6621 3.3191 3.3481 PRESSURE: 2460600 59.8318 45.797 243.734 45.797 96.488 82.2888 243.735 82.2899 16.9638 GPRESSURE: 2460600 95.5346 -3.61722 278.744 -86.6143 194.855 110.063 230.401 0.435212 -14.4013 PRESSAVG: 2460600 11.0172 -52.5738 -17.4522 -52.5738 -29.5754 0.704631 -17.4523 0.704611 1.98199 GPRESSAVG: 2460600 11.6531 -54.4107 -18.111 -52.6404 -29.6048 1.02255 -15.0948 1.22565 1.36826 TIMING: 2460600 CPU: 7777.06, 0.00315516/step Wall: 7777.06, 0.00315516/step, 2.22561 hours remaining, 237.843750 MB of memory in use. ENERGY: 2460600 3992.2773 20509.7083 14403.4847 229.4199 -203683.9224 2776.8351 0.0000 0.0000 52240.6843 -109531.5129 300.2279 -161772.1972 -109170.4400 299.0738 57.7612 91.9962 761446.6172 -5.5254 -5.5278 PRESSURE: 2460800 -387.584 24.858 102.609 24.8578 -21.1336 201.452 102.608 201.453 19.7183 GPRESSURE: 2460800 -335.263 155.327 50.8185 -101.764 20.1442 188.645 174.511 214.419 -8.33659 PRESSAVG: 2460800 63.2683 -27.1509 -11.4356 -27.1508 -53.7027 35.8876 -11.4357 35.8876 1.94517 GPRESSAVG: 2460800 62.3537 -25.1648 -10.5226 -28.1055 -54.1804 34.6223 -13.8251 35.9303 3.66722 TIMING: 2460800 CPU: 7777.69, 0.00314773/step Wall: 7777.69, 0.00314773/step, 2.2202 hours remaining, 237.843750 MB of memory in use. ENERGY: 2460800 3990.2883 20592.8687 14480.8658 237.3870 -203242.5027 2433.6611 0.0000 0.0000 51979.4214 -109528.0104 298.7264 -161507.4317 -109170.8292 299.2173 -129.6664 -107.8183 762803.0079 3.8369 3.9468 PRESSURE: 2461000 -177.89 70.6646 208.649 70.6642 -512.037 54.55 208.649 54.5496 -472.628 GPRESSURE: 2461000 -86.6752 40.4707 111.983 173.4 -576.406 65.6847 86.3053 48.5137 -424.716 PRESSAVG: 2461000 7.95211 -66.2434 -49.3345 -66.2435 -27.3119 42.2177 -49.3345 42.2177 -10.2534 GPRESSAVG: 2461000 7.78662 -68.8595 -51.224 -65.1115 -27.024 43.1611 -48.3316 40.6552 -9.84321 TIMING: 2461000 CPU: 7778.32, 0.00313388/step Wall: 7778.32, 0.00313388/step, 2.21025 hours remaining, 237.843750 MB of memory in use. ENERGY: 2461000 4025.7556 20733.5448 14409.0214 262.5500 -203215.0180 2473.6085 0.0000 0.0000 52059.0428 -109251.4950 299.1840 -161310.5378 -108890.5644 299.2984 -387.5185 -362.5991 761149.2484 -9.8710 -9.6935 PRESSURE: 2461200 7.92217 -47.1569 -78.0557 -47.1566 222.026 -244.724 -78.0557 -244.724 472.946 GPRESSURE: 2461200 138.226 -197.023 -88.3938 8.65666 177.341 -168.492 -0.932746 -195.991 446.547 PRESSAVG: 2461200 34.9551 54.5006 -6.27336 54.5006 -16.8813 -7.23116 -6.27332 -7.23113 0.335028 GPRESSAVG: 2461200 36.5826 54.6705 -6.04597 53.3382 -17.6556 -8.11895 -5.64056 -5.6064 -0.671759 TIMING: 2461200 CPU: 7778.95, 0.00316915/step Wall: 7778.95, 0.00316915/step, 2.23496 hours remaining, 237.843750 MB of memory in use. ENERGY: 2461200 4001.8077 20515.4603 14424.6048 257.2192 -203457.1195 2794.9971 0.0000 0.0000 52154.1768 -109308.8537 299.7308 -161463.0305 -108949.9667 299.5837 234.2982 254.0381 760880.0755 6.1363 6.0851 PRESSURE: 2461400 31.1019 35.3634 144.389 35.3636 -189.405 61.5806 144.388 61.5814 -425.623 GPRESSURE: 2461400 -16.7781 105.697 112.831 -60.9453 -196.496 -21.0251 74.0535 8.80589 -289.61 PRESSAVG: 2461400 15.9964 39.6882 19.5438 39.6882 21.6185 1.13354 19.5438 1.13349 6.828 GPRESSAVG: 2461400 15.4291 39.6385 19.4672 40.6569 22.584 1.22409 17.8562 3.86943 6.36985 TIMING: 2461400 CPU: 7779.59, 0.00318954/step Wall: 7779.59, 0.00318954/step, 2.24916 hours remaining, 237.843750 MB of memory in use. ENERGY: 2461400 4045.3116 20816.8828 14429.1471 262.0932 -203339.2914 2471.0203 0.0000 0.0000 52082.1933 -109232.6432 299.3171 -161314.8365 -108867.2961 299.9789 -194.6419 -167.6279 761821.2919 14.8143 14.7943 PRESSURE: 2461600 346.187 -11.2486 198.735 -11.2484 -140.619 -202.015 198.735 -202.015 28.3094 GPRESSURE: 2461600 341.571 -19.2685 136.869 51.438 -47.3694 -111.629 190.182 -206.94 24.1832 PRESSAVG: 2461600 56.9374 -29.1437 -9.63447 -29.1437 -81.6738 47.1714 -9.63445 47.1714 10.6487 GPRESSAVG: 2461600 56.9604 -29.9163 -8.86757 -29.4074 -79.8788 48.5216 -8.64535 42.9741 9.36864 TIMING: 2461600 CPU: 7780.22, 0.00317167/step Wall: 7780.22, 0.00317167/step, 2.23638 hours remaining, 237.843750 MB of memory in use. ENERGY: 2461600 4024.6034 20688.5817 14424.4978 253.9606 -203466.9767 2671.7596 0.0000 0.0000 52239.0577 -109164.5158 300.2186 -161403.5735 -108798.4059 300.1170 77.9591 106.1284 760884.2452 -4.6959 -4.5166 PRESSURE: 2461800 -149.197 -172.312 -91.5685 -172.314 -236.076 190.846 -91.5679 190.847 316.296 GPRESSURE: 2461800 -57.3712 -131.277 -27.2903 -299.924 -236.057 220.685 -166.911 146.87 306.906 PRESSAVG: 2461800 16.4465 -7.51686 -65.4106 -7.51688 -34.1746 53.3114 -65.4106 53.3113 -14.3912 GPRESSAVG: 2461800 17.3779 -5.41114 -63.169 -8.01481 -35.8628 52.8221 -66.3406 55.1759 -13.2535 TIMING: 2461800 CPU: 7780.85, 0.00315202/step Wall: 7780.85, 0.00315202/step, 2.22235 hours remaining, 237.843750 MB of memory in use. ENERGY: 2461800 4034.4088 20525.7661 14369.0040 230.0055 -203570.6896 2724.1099 0.0000 0.0000 52203.6880 -109483.7074 300.0153 -161687.3954 -109125.3661 299.8014 -22.9926 4.4926 761251.1890 -10.7064 -10.5794 PRESSURE: 2462000 297.408 -279.88 471.942 -279.881 259.396 -87.9841 471.942 -87.9843 -103.713 GPRESSURE: 2462000 324.153 -237.816 354.503 -264.031 318.04 -129.034 340.263 -115.696 -110.332 PRESSAVG: 2462000 -27.7851 11.5018 29.0653 11.5018 16.2161 -43.7828 29.0653 -43.7827 -14.4457 GPRESSAVG: 2462000 -28.1722 10.555 26.634 10.8483 16.3557 -43.7704 28.5923 -43.437 -14.0493 TIMING: 2462000 CPU: 7781.48, 0.00314483/step Wall: 7781.48, 0.00314483/step, 2.21711 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2462000 3938.1952 20462.4579 14421.6528 241.9444 -202921.4635 2506.4136 0.0000 0.0000 51871.1584 -109479.6412 298.1043 -161350.7996 -109116.1942 298.8756 151.0303 177.2870 761925.6237 -8.6716 -8.6219 PRESSURE: 2462200 -348.495 -17.5605 -23.0723 -17.5603 107.058 -67.0334 -23.0717 -67.0341 -523.091 GPRESSURE: 2462200 -183.313 -93.4237 -47.1967 -10.7193 102.106 -81.8605 -85.7436 -69.3294 -596.615 PRESSAVG: 2462200 21.7122 1.53405 -1.8871 1.53408 -2.0995 -33.4732 -1.88709 -33.4733 -4.09581 GPRESSAVG: 2462200 22.4055 0.194996 -1.75525 2.34022 -2.2729 -33.0219 -0.227986 -36.1586 -4.86248 TIMING: 2462200 CPU: 7782.11, 0.00315291/step Wall: 7782.11, 0.00315291/step, 2.22262 hours remaining, 237.843750 MB of memory in use. ENERGY: 2462200 3968.7137 20478.8661 14406.2332 259.6944 -202820.0721 2291.1197 0.0000 0.0000 52077.9343 -109337.5106 299.2926 -161415.4449 -108974.0743 298.9227 -254.8427 -225.9405 760542.8379 5.1723 5.0900 PRESSURE: 2462400 175.957 -310.66 -69.2662 -310.659 -21.7907 -14.963 -69.2665 -14.9633 122.245 GPRESSURE: 2462400 155.553 -363.651 -75.7033 -264.816 67.6247 -30.4552 -173.042 -8.40637 148.835 PRESSAVG: 2462400 -0.746722 -29.6027 -26.7917 -29.6026 21.8084 -44.9743 -26.7916 -44.9742 -27.5585 GPRESSAVG: 2462400 -2.81709 -26.9258 -26.3351 -29.8555 22.9548 -44.8491 -26.9824 -41.8036 -27.0959 TIMING: 2462400 CPU: 7782.75, 0.0031715/step Wall: 7782.75, 0.0031715/step, 2.23555 hours remaining, 237.843750 MB of memory in use. ENERGY: 2462400 4022.3515 20449.2871 14398.9054 242.1810 -203418.3103 2589.5051 0.0000 0.0000 52233.1844 -109482.8958 300.1848 -161716.0801 -109130.4892 298.9482 92.1372 124.0043 759635.3834 -2.1656 -2.3194 PRESSURE: 2462600 -132.335 36.9878 -176.729 36.9882 -323.755 -127.338 -176.729 -127.339 -88.3699 GPRESSURE: 2462600 -99.0462 -13.7502 -132.242 -73.521 -238.134 -124.312 -88.8427 25.2696 -107.559 PRESSAVG: 2462600 47.8106 -40.8424 -20.031 -40.8423 0.276282 -46.2456 -20.031 -46.2456 22.9108 GPRESSAVG: 2462600 47.2714 -42.308 -20.4162 -41.3112 0.770554 -47.3027 -21.271 -48.27 22.729 TIMING: 2462600 CPU: 7783.38, 0.0031685/step Wall: 7783.38, 0.0031685/step, 2.23326 hours remaining, 237.843750 MB of memory in use. ENERGY: 2462600 4052.5468 20520.4708 14408.4259 235.0679 -203131.7489 2594.6181 0.0000 0.0000 52041.7874 -109278.8320 299.0849 -161320.6194 -108921.5100 299.4215 -181.4864 -148.2465 760997.0805 23.6659 23.5903 PRESSURE: 2462800 -260.162 -185.242 -123.141 -185.242 -78.2133 -45.8996 -123.142 -45.8986 -267.659 GPRESSURE: 2462800 -158.374 -227.798 -109.691 -180.83 -75.8304 -0.388759 -165.68 70.0134 -303.23 PRESSAVG: 2462800 12.1562 -23.0634 -28.5856 -23.0634 4.73422 9.19792 -28.5856 9.19785 -11.9114 GPRESSAVG: 2462800 13.3503 -24.0079 -30.0882 -20.6092 4.00251 10.7769 -28.0155 9.79445 -12.1805 TIMING: 2462800 CPU: 7784.01, 0.00316121/step Wall: 7784.01, 0.00316121/step, 2.22795 hours remaining, 237.843750 MB of memory in use. ENERGY: 2462800 3973.8964 20481.8872 14424.6368 232.5316 -203306.3644 2558.3950 0.0000 0.0000 52365.8410 -109269.1763 300.9472 -161635.0174 -108901.5457 299.9701 -202.0114 -179.1449 760150.3016 1.6597 1.7241 PRESSURE: 2463000 132.719 -84.7222 165.763 -84.7225 90.1284 -108.013 165.763 -108.013 24.6546 GPRESSURE: 2463000 178.289 -202.221 88.8143 -82.3066 78.2441 -168.963 122.159 -29.8723 56.746 PRESSAVG: 2463000 26.8562 -30.6254 -5.9093 -30.6253 -15.9299 -36.1435 -5.90934 -36.1435 -1.97812 GPRESSAVG: 2463000 27.1596 -29.5037 -4.11995 -30.9931 -16.4403 -36.2179 -6.24916 -34.3151 -1.70431 TIMING: 2463000 CPU: 7784.64, 0.00316238/step Wall: 7784.64, 0.00316238/step, 2.2286 hours remaining, 237.843750 MB of memory in use. ENERGY: 2463000 3941.2032 20446.3769 14414.0203 241.9195 -203145.5473 2451.4418 0.0000 0.0000 52175.4627 -109475.1231 299.8531 -161650.5857 -109107.3660 299.0718 82.5006 104.4265 759537.4986 2.9827 3.0050 PRESSURE: 2463200 -161.249 -27.2219 -85.4671 -27.2214 -44.8056 417.693 -85.4666 417.693 177.899 GPRESSURE: 2463200 -68.4743 32.8248 -29.8826 81.1081 -19.4105 377.986 -121.64 297.545 129.235 PRESSAVG: 2463200 -2.07436 14.9463 -11.4145 14.9462 41.5728 2.40033 -11.4145 2.40039 -12.0365 GPRESSAVG: 2463200 -1.13752 13.6961 -11.0515 17.2595 41.0574 2.31351 -11.2066 0.364473 -12.05 TIMING: 2463200 CPU: 7785.28, 0.00315873/step Wall: 7785.28, 0.00315873/step, 2.22585 hours remaining, 237.843750 MB of memory in use. ENERGY: 2463200 3981.6394 20331.3669 14432.9922 232.8305 -203212.8766 2488.8668 0.0000 0.0000 52496.1188 -109249.0619 301.6959 -161745.1807 -108883.4202 299.7025 -9.3854 13.7833 760605.6481 9.1540 9.2900 PRESSURE: 2463400 -13.0545 200.121 138.281 200.121 -202.967 -12.4822 138.282 -12.4828 -229.939 GPRESSURE: 2463400 64.5052 173.331 153.598 170.095 -257.251 17.1802 105.366 27.3783 -184.055 PRESSAVG: 2463400 44.0632 4.78968 -12.5718 4.78971 2.51662 -8.19814 -12.5717 -8.19815 -6.83598 GPRESSAVG: 2463400 42.3405 4.22739 -14.6956 2.49177 3.08877 -7.71586 -12.0106 -8.4337 -5.91759 TIMING: 2463400 CPU: 7785.91, 0.00317133/step Wall: 7785.91, 0.00317133/step, 2.23456 hours remaining, 237.843750 MB of memory in use. ENERGY: 2463400 4060.5593 20480.6141 14414.2062 262.8154 -203021.4986 2387.9455 0.0000 0.0000 52295.3156 -109120.0425 300.5419 -161415.3581 -108752.7952 300.3143 -148.6533 -125.6001 761488.1215 13.2480 13.1706 PRESSURE: 2463600 -370.909 -119.008 211.426 -119.007 -133.301 88.5012 211.427 88.5006 -224.131 GPRESSURE: 2463600 -421.951 -81.2695 214.746 -143.71 -61.3997 51.0171 106.92 114.689 -174.223 PRESSAVG: 2463600 -0.825251 20.2423 -17.5866 20.2423 17.928 -26.1267 -17.5866 -26.1268 -4.00659 GPRESSAVG: 2463600 0.0454793 21.5723 -15.974 20.1148 17.181 -25.8296 -19.1035 -26.7512 -4.37396 TIMING: 2463600 CPU: 7786.54, 0.00315857/step Wall: 7786.54, 0.00315857/step, 2.22539 hours remaining, 237.843750 MB of memory in use. ENERGY: 2463600 3987.2225 20632.3584 14441.3244 234.0303 -202797.1721 2278.8085 0.0000 0.0000 52237.2149 -108986.2130 300.2080 -161223.4279 -108626.2213 300.1844 -242.7805 -219.1912 762170.4340 4.3654 4.2842 PRESSURE: 2463800 -264.249 -87.9009 -119.074 -87.9013 -212.12 -121.734 -119.074 -121.734 178.027 GPRESSURE: 2463800 -200.843 -44.5228 -128.81 -133.061 -196.056 -83.4749 21.496 -1.54349 166.919 PRESSAVG: 2463800 -55.5314 -10.269 -48.8644 -10.269 11.8413 21.5747 -48.8644 21.5747 -2.93117 GPRESSAVG: 2463800 -55.486 -10.6732 -50.0787 -10.3162 11.9892 20.7131 -48.0811 22.5023 -3.45415 TIMING: 2463800 CPU: 7787.18, 0.00317285/step Wall: 7787.18, 0.00317285/step, 2.23527 hours remaining, 237.843750 MB of memory in use. ENERGY: 2463800 3993.8241 20541.7153 14459.7821 264.5821 -202902.3316 2390.9769 0.0000 0.0000 52272.9291 -108978.5220 300.4132 -161251.4511 -108608.7500 300.0860 -99.4475 -76.6599 763166.9808 -15.5404 -15.6503 PRESSURE: 2464000 160.691 119.405 204.967 119.405 202.471 103.706 204.967 103.707 259.956 GPRESSURE: 2464000 236.242 122.836 233.392 135.698 180.252 95.3912 163.678 21.1065 291.417 PRESSAVG: 2464000 33.8963 -28.8163 2.70747 -28.8163 -22.3919 0.0281966 2.70745 0.0282326 -10.4215 GPRESSAVG: 2464000 32.5307 -27.6271 2.2183 -28.0945 -21.4475 0.0328041 3.15332 -1.46635 -9.65839 TIMING: 2464000 CPU: 7787.81, 0.00315841/step Wall: 7787.81, 0.00315841/step, 2.22492 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2464000 4017.8901 20575.8450 14436.9308 254.7302 -203176.1624 2782.5136 0.0000 0.0000 52279.8698 -108828.3830 300.4531 -161108.2528 -108463.8360 300.7530 207.7063 235.9705 761370.1575 0.3610 0.4749 PRESSURE: 2464200 -469.349 75.1036 82.951 75.1036 -515.07 -99.4794 82.9516 -99.4795 -354.789 GPRESSURE: 2464200 -532.212 13.9333 95.4605 119.501 -367.568 -94.0327 42.5842 -172.359 -347.461 PRESSAVG: 2464200 -2.0899 -14.4861 16.6684 -14.486 -7.5774 32.8827 16.6683 32.8828 6.1042 GPRESSAVG: 2464200 -2.08586 -15.4943 18.0522 -14.3698 -6.75611 33.2829 17.8397 33.9853 6.00676 TIMING: 2464200 CPU: 7788.44, 0.00317126/step Wall: 7788.44, 0.00317126/step, 2.2338 hours remaining, 237.843750 MB of memory in use. ENERGY: 2464200 4004.0945 20766.0849 14357.0031 237.1795 -202621.6355 2059.2541 0.0000 0.0000 52187.9316 -109010.0879 299.9248 -161198.0195 -108645.9585 300.4694 -446.4024 -415.7473 763562.1343 -1.1877 -0.9451 LDB: ============= START OF LOAD BALANCING ============== 7800.84 LDB: ============== END OF LOAD BALANCING =============== 7800.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7800.84 LDB: ============= START OF LOAD BALANCING ============== 7801.16 LDB: Largest compute 7025 load 0.034362 is 17.5% of average load 0.196027 LDB: Average compute 0.004397 is 2.2% of average load 0.196027 LDB: TIME 7801.17 LOAD: AVG 0.196027 MAX 0.217379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7801.17 LOAD: AVG 0.196027 MAX 0.217379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 7801.17 LOAD: AVG 0.196027 MAX 0.217379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 7801.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7801.17 PRESSURE: 2464400 -5.1661 70.7133 11.2697 70.7138 -294.409 18.9733 11.2702 18.9736 -77.2791 GPRESSURE: 2464400 39.1948 48.8558 -55.7111 -24.9141 -249.114 4.12285 17.3729 45.5496 -95.9387 PRESSAVG: 2464400 11.3223 -18.887 -33.8862 -18.8869 1.9216 8.56037 -33.8862 8.56038 31.0299 GPRESSAVG: 2464400 12.0657 -18.9259 -33.9432 -20.9542 1.58524 6.93342 -34.9041 8.26323 30.5977 TIMING: 2464400 CPU: 7789.09, 0.00324398/step Wall: 7789.09, 0.00324398/step, 2.28484 hours remaining, 239.179688 MB of memory in use. ENERGY: 2464400 4032.8434 20570.4292 14373.6537 242.5850 -203173.8540 2597.5192 0.0000 0.0000 52210.2018 -109146.6218 300.0527 -161356.8236 -108789.4505 299.9486 -125.6182 -101.9525 763323.7251 14.7579 14.7495 PRESSURE: 2464600 -139.251 -73.3811 -76.8015 -73.381 -421.391 187.536 -76.8021 187.536 20.1116 GPRESSURE: 2464600 -86.1424 -69.587 -31.7794 -78.2488 -333.946 166.841 -2.94085 165.405 -33.646 PRESSAVG: 2464600 35.4691 -35.8963 10.6305 -35.8963 9.75995 3.28103 10.6305 3.28098 7.31007 GPRESSAVG: 2464600 36.6819 -36.4759 9.76704 -34.9286 7.23568 5.06913 12.6413 4.39645 8.93071 TIMING: 2464600 CPU: 7789.73, 0.00318578/step Wall: 7789.73, 0.00318578/step, 2.24367 hours remaining, 239.250000 MB of memory in use. ENERGY: 2464600 4000.5022 20638.9165 14448.1090 265.7471 -202998.5770 2383.0369 0.0000 0.0000 52243.1491 -109019.1161 300.2421 -161262.2652 -108656.8030 299.8960 -180.1768 -151.2450 764281.5924 17.5130 17.6161 PRESSURE: 2464800 -75.2798 -4.93593 -174.944 -4.93432 -125.436 -169.317 -174.944 -169.317 -203.802 GPRESSURE: 2464800 -92.1832 -81.7967 -79.6404 138.951 -73.1842 -188.288 -198.111 -122.776 -136.067 PRESSAVG: 2464800 -34.3654 0.61755 -3.85093 0.617578 42.085 -24.8923 -3.85097 -24.8922 -4.90907 GPRESSAVG: 2464800 -35.3235 0.942226 -2.76167 2.75764 44.5158 -26.086 -4.61605 -24.6481 -6.21992 TIMING: 2464800 CPU: 7790.36, 0.00315262/step Wall: 7790.36, 0.00315262/step, 2.22015 hours remaining, 239.250000 MB of memory in use. ENERGY: 2464800 3892.3816 20628.5023 14406.3420 237.7494 -202994.9329 2340.1067 0.0000 0.0000 52269.1081 -109220.7429 300.3913 -161489.8510 -108849.8953 299.9765 -134.8395 -100.4783 763481.8013 0.9369 0.9908 PRESSURE: 2465000 -255.774 32.2535 209.081 32.2541 234.46 26.3531 209.081 26.3536 142.834 GPRESSURE: 2465000 -223.6 -40.6451 152.75 -65.5042 212.875 76.6279 78.5868 -165.526 212.782 PRESSAVG: 2465000 28.7678 14.0355 -7.93975 14.0355 -2.62748 -11.7786 -7.93969 -11.7786 -26.201 GPRESSAVG: 2465000 29.3733 14.4687 -7.69071 12.894 -4.00125 -11.5344 -9.39016 -11.2259 -25.3276 TIMING: 2465000 CPU: 7790.99, 0.00315837/step Wall: 7790.99, 0.00315837/step, 2.22402 hours remaining, 239.250000 MB of memory in use. ENERGY: 2465000 3996.6010 20626.1852 14429.5837 248.7423 -202970.9533 2526.0479 0.0000 0.0000 52129.2189 -109014.5743 299.5873 -161143.7932 -108643.2762 299.4690 40.5067 67.3524 763239.3357 -0.0203 0.0148 PRESSURE: 2465200 -171.883 64.51 24.1799 64.5102 -550.759 -122.264 24.1795 -122.263 234.469 GPRESSURE: 2465200 -114.728 -9.35834 -67.0822 -22.5512 -455.027 -153.11 -46.1492 -87.3364 195.339 PRESSAVG: 2465200 -26.4629 15.0415 -16.9491 15.0416 -5.70988 14.368 -16.9491 14.368 3.00552 GPRESSAVG: 2465200 -26.7866 15.2421 -18.2865 13.1388 -4.16123 15.7522 -15.9679 11.5395 2.17753 TIMING: 2465200 CPU: 7791.63, 0.00320738/step Wall: 7791.63, 0.00320738/step, 2.25835 hours remaining, 239.250000 MB of memory in use. ENERGY: 2465200 4027.8787 20626.9477 14432.3776 240.2356 -202974.2763 2497.5022 0.0000 0.0000 52197.0168 -108952.3178 299.9770 -161149.3346 -108579.2951 300.2090 -162.7243 -124.8056 763745.6080 -9.7224 -9.5901 PRESSURE: 2465400 56.7556 12.534 121.859 12.5345 -228.821 -89.1253 121.859 -89.125 168.956 GPRESSURE: 2465400 106.976 -28.3686 83.3416 -109.661 -155.391 -33.1848 104.115 -42.7863 135.563 PRESSAVG: 2465400 84.6065 42.5952 -15.7064 42.5951 -50.7085 -10.2648 -15.7064 -10.2647 13.3616 GPRESSAVG: 2465400 84.7973 43.2599 -14.637 44.1942 -52.6067 -11.1749 -16.7536 -8.63311 13.8379 TIMING: 2465400 CPU: 7792.27, 0.00319958/step Wall: 7792.27, 0.00319958/step, 2.25268 hours remaining, 239.250000 MB of memory in use. ENERGY: 2465400 4066.7797 20543.5232 14409.1100 236.6956 -203125.6217 2543.8497 0.0000 0.0000 52194.6644 -109130.9991 299.9635 -161325.6635 -108763.3270 300.4104 -1.0364 29.0493 761682.0537 15.7532 15.3428 PRESSURE: 2465600 -172.409 -107.182 89.5059 -107.182 -68.0813 96.8096 89.5061 96.809 -632.969 GPRESSURE: 2465600 -99.3787 -95.597 159.087 -99.0851 -50.6221 50.3775 105.491 144.749 -644.968 PRESSAVG: 2465600 6.39984 -13.5418 -11.1531 -13.5418 -25.1608 11.5695 -11.1531 11.5696 -12.6429 GPRESSAVG: 2465600 5.53499 -14.8943 -10.7724 -13.8223 -24.6283 11.8678 -9.57885 11.5432 -12.6135 TIMING: 2465600 CPU: 7792.91, 0.0031982/step Wall: 7792.91, 0.0031982/step, 2.25153 hours remaining, 239.250000 MB of memory in use. ENERGY: 2465600 3946.9475 20593.0901 14373.0413 246.1102 -202911.3672 2125.3059 0.0000 0.0000 52324.8199 -109302.0524 300.7115 -161626.8722 -108932.1014 300.0214 -291.1529 -264.9897 762155.2751 -10.4679 -10.5689 PRESSURE: 2465800 64.7778 -14.5099 97.1638 -14.5097 149.415 -109.802 97.1637 -109.803 250 GPRESSURE: 2465800 113.854 -3.04416 98.3025 47.6803 149.29 -113.937 96.177 -96.8767 281.658 PRESSAVG: 2465800 26.7839 72.8324 -51.5105 72.8324 16.7427 0.442315 -51.5105 0.442332 -28.5256 GPRESSAVG: 2465800 27.1771 75.2046 -51.388 72.8516 16.0866 -1.12125 -50.7744 -0.0604707 -28.166 TIMING: 2465800 CPU: 7793.55, 0.00320423/step Wall: 7793.55, 0.00320423/step, 2.2556 hours remaining, 239.250000 MB of memory in use. ENERGY: 2465800 3890.6405 20463.5615 14424.1279 240.3096 -203263.0222 2599.1378 0.0000 0.0000 52372.2559 -109272.9889 300.9841 -161645.2448 -108902.4566 299.8041 154.7310 181.6008 760906.5159 5.0003 5.0326 PRESSURE: 2466000 -53.1868 2.54259 -123.939 2.54267 101.246 -39.2844 -123.939 -39.2849 218.784 GPRESSURE: 2466000 -89.5834 4.45097 -118.835 -119.63 156.718 70.9446 -294.445 -50.8458 261.089 PRESSAVG: 2466000 17.2204 -18.6996 -46.2284 -18.6997 -40.238 -41.2981 -46.2285 -41.2981 -2.22411 GPRESSAVG: 2466000 15.5966 -20.6485 -47.5575 -18.5037 -39.7785 -39.239 -46.0301 -40.5818 -1.22722 TIMING: 2466000 CPU: 7794.19, 0.00318099/step Wall: 7794.19, 0.00318099/step, 2.23906 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2466000 3934.4172 20578.7394 14419.7204 264.1073 -203182.4993 2592.2463 0.0000 0.0000 52177.4678 -109215.8010 299.8646 -161393.2688 -108851.5644 299.9167 88.9476 109.4077 761736.9259 -8.4139 -8.4697 PRESSURE: 2466200 -206.214 155.548 -91.7775 155.549 44.2721 70.6691 -91.7774 70.6684 -456.425 GPRESSURE: 2466200 -160.841 258.67 -73.2646 78.6548 57.3083 86.5915 -42.3149 12.3553 -434.298 PRESSAVG: 2466200 1.37239 -53.9264 -74.1095 -53.9264 62.2731 -15.01 -74.1095 -15.0099 12.7675 GPRESSAVG: 2466200 2.83361 -54.1117 -73.2146 -54.6802 61.8704 -15.4698 -75.7234 -16.7378 11.4123 TIMING: 2466200 CPU: 7794.82, 0.00314096/step Wall: 7794.82, 0.00314096/step, 2.21071 hours remaining, 239.250000 MB of memory in use. ENERGY: 2466200 4009.6141 20501.0224 14485.8713 253.7812 -203461.6545 2744.1981 0.0000 0.0000 52270.4030 -109196.7643 300.3987 -161467.1674 -108834.9898 299.7398 -206.1224 -179.2770 760911.1110 25.4710 25.3721 PRESSURE: 2466400 272.494 -18.2725 100.215 -18.2739 -34.999 -190.067 100.215 -190.066 422.276 GPRESSURE: 2466400 315.882 -25.7071 35.7824 17.2189 -55.0805 -222.371 154.409 -20.0507 471.69 PRESSAVG: 2466400 21.6983 34.2075 -9.22305 34.2076 -22.2822 -53.2032 -9.22308 -53.2033 -13.0899 GPRESSAVG: 2466400 21.1905 34.3237 -10.4613 35.5321 -22.7739 -54.2738 -8.01912 -50.5583 -12.1872 TIMING: 2466400 CPU: 7795.45, 0.00316271/step Wall: 7795.45, 0.00316271/step, 2.22584 hours remaining, 239.250000 MB of memory in use. ENERGY: 2466400 3934.3797 20605.4804 14380.5534 255.3679 -203128.8101 2547.4717 0.0000 0.0000 52136.8899 -109268.6671 299.6314 -161405.5570 -108894.5122 299.5555 219.9235 244.1639 761492.4262 -4.5579 -4.5902 PRESSURE: 2466600 -310.333 61.6231 143.662 61.6231 -123.935 60.7231 143.662 60.7242 -226.157 GPRESSURE: 2466600 -245.698 96.7556 86.9683 -21.5796 -48.3128 89.7669 188.638 53.0264 -269.263 PRESSAVG: 2466600 42.9476 1.11412 23.4235 1.1141 -83.8136 2.97039 23.4235 2.9704 -12.8137 GPRESSAVG: 2466600 43.4568 -0.289807 24.5992 2.13933 -83.974 3.59724 23.52 1.0626 -13.4962 TIMING: 2466600 CPU: 7796.09, 0.00318755/step Wall: 7796.09, 0.00318755/step, 2.24315 hours remaining, 239.250000 MB of memory in use. ENERGY: 2466600 3988.4888 20628.8930 14385.2828 246.5881 -203154.2389 2523.3637 0.0000 0.0000 52091.4024 -109290.2201 299.3700 -161381.6224 -108936.6824 299.5852 -220.1418 -187.7578 760986.0120 -17.8932 -18.0045 PRESSURE: 2466800 175.274 -72.0219 114.371 -72.0222 -12.6418 93.135 114.372 93.1332 -117.503 GPRESSURE: 2466800 175.819 -179.564 16.7766 -4.84581 11.7858 65.1611 73.3715 183.636 -76.2606 PRESSAVG: 2466800 39.0468 3.3192 15.3503 3.3192 -14.4249 24.1897 15.3503 24.1896 10.826 GPRESSAVG: 2466800 38.5222 2.37586 15.0718 3.80378 -14.7209 23.4997 14.2721 25.1084 11.2187 TIMING: 2466800 CPU: 7796.73, 0.00320383/step Wall: 7796.73, 0.00320383/step, 2.25443 hours remaining, 239.250000 MB of memory in use. ENERGY: 2466800 3908.0323 20615.1767 14456.7414 252.4402 -203296.4030 2678.7097 0.0000 0.0000 52171.6224 -109213.6803 299.8310 -161385.3026 -108865.8105 299.7280 15.0432 37.1148 761129.5406 11.8160 11.6733 PRESSURE: 2467000 92.425 -23.9623 157.342 -23.9625 -34.9445 -1.67087 157.342 -1.67041 -324.302 GPRESSURE: 2467000 52.6556 52.543 213.303 10.7897 48.6667 -15.4488 69.5308 123.326 -294.75 PRESSAVG: 2467000 -69.9788 -15.3679 -21.952 -15.3678 12.1574 -20.2905 -21.9519 -20.2905 0.0196586 GPRESSAVG: 2467000 -70.8725 -13.4549 -20.3902 -15.5407 14.0767 -20.6013 -23.1168 -21.0852 -0.706872 TIMING: 2467000 CPU: 7797.36, 0.00317376/step Wall: 7797.36, 0.00317376/step, 2.23309 hours remaining, 239.250000 MB of memory in use. ENERGY: 2467000 3980.3063 20421.7097 14435.8363 251.1278 -203008.8730 2469.9186 0.0000 0.0000 52123.3858 -109326.5883 299.5538 -161449.9742 -108966.0005 299.3350 -88.9405 -64.4760 761441.5004 -19.2672 -19.1676 PRESSURE: 2467200 184.675 -75.0465 -42.371 -75.0462 -42.0742 -25.2217 -42.3715 -25.2212 17.5344 GPRESSURE: 2467200 170.217 -18.1425 -24.0461 -138.208 14.2818 43.6768 -80.7099 -9.23142 73.2852 PRESSAVG: 2467200 13.9989 5.33044 -23.8078 5.33046 -7.66881 -10.1204 -23.8077 -10.1205 -1.76519 GPRESSAVG: 2467200 14.0878 4.62402 -26.7501 5.34055 -8.27967 -8.87308 -22.1944 -11.5724 -0.771219 TIMING: 2467200 CPU: 7798, 0.00316321/step Wall: 7798, 0.00316321/step, 2.22549 hours remaining, 239.250000 MB of memory in use. ENERGY: 2467200 3980.3970 20457.3866 14415.2881 238.9230 -203057.0916 2386.7449 0.0000 0.0000 52288.0961 -109290.2558 300.5004 -161578.3519 -108924.5779 299.2057 53.3786 85.9280 761028.8120 1.5216 1.6790 PRESSURE: 2467400 -239.87 208.336 -0.742038 208.335 -418.797 -35.2126 -0.741784 -35.2103 -188.812 GPRESSURE: 2467400 -171.202 128.694 40.9957 172.21 -398.069 -58.0839 23.5443 -47.8045 -194.302 PRESSAVG: 2467400 58.6891 -27.1447 -18.8177 -27.1447 -36.3794 -0.390789 -18.8177 -0.390749 11.4543 GPRESSAVG: 2467400 59.8051 -26.7188 -18.0872 -26.4544 -37.2824 0.557417 -21.0143 -0.011567 10.8965 TIMING: 2467400 CPU: 7798.63, 0.00318024/step Wall: 7798.63, 0.00318024/step, 2.2373 hours remaining, 239.250000 MB of memory in use. ENERGY: 2467400 4060.1125 20448.5956 14465.6862 219.4352 -202897.0290 2355.6728 0.0000 0.0000 52088.7325 -109258.7942 299.3547 -161347.5267 -108891.8169 299.4649 -282.4931 -254.5242 760891.0773 11.2546 11.1397 PRESSURE: 2467600 -265.147 -248.628 86.585 -248.628 101.746 55.1446 86.5847 55.1447 -110.839 GPRESSURE: 2467600 -172.942 -219.154 70.1798 -167.934 81.9258 98.2356 74.2283 57.1088 -90.4701 PRESSAVG: 2467600 -27.8123 8.55195 -6.38914 8.55196 -1.52905 -9.3298 -6.38913 -9.32977 -16.1183 GPRESSAVG: 2467600 -27.1525 9.45732 -4.79814 8.34634 -1.97134 -10.9518 -4.04224 -6.94801 -16.039 TIMING: 2467600 CPU: 7799.27, 0.00316759/step Wall: 7799.27, 0.00316758/step, 2.22822 hours remaining, 239.250000 MB of memory in use. ENERGY: 2467600 4104.4124 20409.6526 14368.9518 242.2846 -202936.6146 2349.6087 0.0000 0.0000 52155.5598 -109306.1448 299.7387 -161461.7045 -108939.4035 299.5877 -91.4136 -60.4955 762036.7815 -15.1532 -15.0543 PRESSURE: 2467800 -88.3608 -79.8133 -29.2568 -79.8128 338.3 -116.052 -29.2567 -116.052 133.005 GPRESSURE: 2467800 -31.4454 -62.0759 61.0906 -87.188 329.293 -127.683 -5.75415 -102.829 156.349 PRESSAVG: 2467800 13.9369 36.7153 52.2009 36.7153 -9.52864 -28.1803 52.2008 -28.1803 17.9788 GPRESSAVG: 2467800 13.5163 36.2034 52.9568 36.2726 -9.64031 -27.0824 50.774 -31.5151 17.925 TIMING: 2467800 CPU: 7799.9, 0.00316628/step Wall: 7799.9, 0.00316628/step, 2.22712 hours remaining, 239.250000 MB of memory in use. ENERGY: 2467800 4040.0908 20648.7746 14355.2560 265.9502 -203257.7958 2700.7568 0.0000 0.0000 51885.8855 -109361.0817 298.1889 -161246.9672 -109005.5595 299.1062 127.6479 151.3989 760920.8867 7.4624 7.2670 PRESSURE: 2468000 295.512 0.261951 96.344 0.261705 222.335 -189.862 96.3446 -189.862 190.039 GPRESSURE: 2468000 329.111 5.72548 116.859 -72.32 269.859 -281.363 111.174 3.65951 187.138 PRESSAVG: 2468000 20.8421 41.2474 0.918237 41.2475 16.771 -60.381 0.918224 -60.381 -6.73215 GPRESSAVG: 2468000 21.5132 41.8477 -2.71553 40.656 16.7384 -61.2968 2.74039 -58.022 -7.05521 TIMING: 2468000 CPU: 7800.53, 0.00317163/step Wall: 7800.53, 0.00317163/step, 2.23071 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2468000 3952.7136 20560.6656 14386.2564 253.5157 -203303.6934 2801.8417 0.0000 0.0000 51985.7239 -109362.9764 298.7627 -161348.7003 -109000.3128 299.4008 235.9617 262.0359 761084.7684 10.2936 10.3988 PRESSURE: 2468200 -104.413 -129.448 -60.3186 -129.449 58.1382 -12.8011 -60.3186 -12.8016 -264.738 GPRESSURE: 2468200 -189.67 -103.921 -46.8853 13.9005 162.258 -79.9406 -81.9474 -35.8734 -209.457 PRESSAVG: 2468200 -17.8573 -22.5007 -55.7312 -22.5007 69.1278 1.31994 -55.7312 1.32004 -14.3482 GPRESSAVG: 2468200 -17.2763 -22.758 -53.5912 -21.7888 68.8272 2.87437 -57.0901 -0.244489 -14.8013 TIMING: 2468200 CPU: 7801.17, 0.00317668/step Wall: 7801.17, 0.00317668/step, 2.23409 hours remaining, 239.250000 MB of memory in use. ENERGY: 2468200 4021.4813 20548.5552 14399.6635 232.1647 -203256.3354 2668.2388 0.0000 0.0000 52083.9045 -109302.3274 299.3269 -161386.2319 -108935.7129 299.5764 -103.6708 -78.9566 762470.5365 12.3075 12.2499 LDB: ============= START OF LOAD BALANCING ============== 7813.57 LDB: ============== END OF LOAD BALANCING =============== 7813.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7813.57 LDB: ============= START OF LOAD BALANCING ============== 7813.89 LDB: Largest compute 7025 load 0.035460 is 18.1% of average load 0.195856 LDB: Average compute 0.004414 is 2.3% of average load 0.195856 LDB: TIME 7813.9 LOAD: AVG 0.195856 MAX 0.218354 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.461 MB LDB: TIME 7813.9 LOAD: AVG 0.195856 MAX 0.218354 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.668 MB LDB: TIME 7813.9 LOAD: AVG 0.195856 MAX 0.218354 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.668 MB LDB: ============== END OF LOAD BALANCING =============== 7813.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7813.9 PRESSURE: 2468400 346.713 146.143 -25.7191 146.143 82.2091 -106.614 -25.7193 -106.613 -29.6071 GPRESSURE: 2468400 253.031 197.637 10.5972 42.8705 217.015 -95.3488 -17.3438 -97.4029 4.77619 PRESSAVG: 2468400 -69.6103 26.9761 17.8047 26.9761 46.4338 7.49468 17.8047 7.49474 2.65707 GPRESSAVG: 2468400 -70.4676 25.4946 17.7087 28.6009 48.2234 5.8409 16.1897 7.87135 1.64834 TIMING: 2468400 CPU: 7801.82, 0.00326937/step Wall: 7801.82, 0.00326937/step, 2.29909 hours remaining, 238.210938 MB of memory in use. ENERGY: 2468400 4025.4933 20549.5090 14413.7519 265.0859 -203034.9297 2384.5943 0.0000 0.0000 51940.6840 -109455.8114 298.5038 -161396.4953 -109112.9275 299.6142 133.1051 158.2742 761142.2792 -6.8398 -6.8653 PRESSURE: 2468600 118.926 -110.84 139.427 -110.841 71.026 29.937 139.427 29.9374 -148.34 GPRESSURE: 2468600 162.533 -99.6828 79.568 -3.22846 40.3218 34.0955 169.016 93.8134 -66.5053 PRESSAVG: 2468600 -19.3757 -11.3724 13.3036 -11.3724 79.0212 1.20855 13.3035 1.2085 22.3198 GPRESSAVG: 2468600 -18.5897 -12.3143 12.7835 -11.6908 76.3711 -0.00779901 14.3715 2.50866 23.9926 TIMING: 2468600 CPU: 7802.46, 0.00318392/step Wall: 7802.46, 0.00318392/step, 2.23883 hours remaining, 238.414062 MB of memory in use. ENERGY: 2468600 4006.9488 20685.1381 14416.9778 260.9082 -203808.7667 3099.9792 0.0000 0.0000 52022.3153 -109316.4991 298.9730 -161338.8145 -108962.8908 299.1860 13.8708 45.4498 761336.9870 27.3218 27.2580 PRESSURE: 2468800 -353.514 232.961 154.384 232.961 -107.533 -326.204 154.385 -326.204 -294.384 GPRESSURE: 2468800 -238.012 194.364 104.544 139.326 -124.881 -316.005 184.716 -358.856 -322.084 PRESSAVG: 2468800 46.3715 -3.74398 16.6183 -3.74397 -30.3763 -12.1716 16.6184 -12.1715 7.68002 GPRESSAVG: 2468800 44.6544 -1.87683 15.4482 -4.66411 -28.3534 -11.0678 18.1897 -13.3074 7.83973 TIMING: 2468800 CPU: 7803.09, 0.0031641/step Wall: 7803.09, 0.0031641/step, 2.22472 hours remaining, 238.414062 MB of memory in use. ENERGY: 2468800 3968.8935 20551.8282 14502.3904 243.5643 -203429.7928 2775.3503 0.0000 0.0000 52200.6546 -109187.1114 299.9979 -161387.7660 -108823.6644 299.9559 -251.8104 -228.3256 762023.9876 7.8917 8.0469 PRESSURE: 2469000 -309.932 -64.6307 -127.156 -64.6297 208.01 -62.6838 -127.157 -62.6827 -408.16 GPRESSURE: 2469000 -291.546 -52.518 -138.03 -124.635 274.644 15.0282 -33.329 -202.178 -404.172 PRESSAVG: 2469000 -90.7899 -12.3416 1.10448 -12.3416 48.061 -30.3034 1.1044 -30.3035 -1.57105 GPRESSAVG: 2469000 -89.0121 -13.4493 2.05674 -11.7971 47.0119 -28.0768 2.49256 -31.6342 -2.00543 TIMING: 2469000 CPU: 7803.72, 0.00315967/step Wall: 7803.72, 0.00315967/step, 2.22142 hours remaining, 238.414062 MB of memory in use. ENERGY: 2469000 3998.9240 20608.4092 14472.7883 241.5309 -202870.8984 2208.5151 0.0000 0.0000 52197.4655 -109143.2654 299.9796 -161340.7309 -108784.6527 299.7393 -170.0274 -140.3579 762785.6688 -14.7666 -14.6685 PRESSURE: 2469200 14.9502 75.3672 172.003 75.3662 -231.489 -129.488 172.003 -129.49 -215.697 GPRESSURE: 2469200 14.4053 34.7664 294.212 31.8292 -174.425 -50.735 75.9309 -191.677 -185.955 PRESSAVG: 2469200 20.3104 -15.9259 -1.83977 -15.9259 16.9085 -46.6997 -1.83979 -46.6997 -14.8121 GPRESSAVG: 2469200 19.3774 -16.4986 -1.26447 -17.7061 18.2471 -46.9079 -4.26828 -45.3388 -15.3208 TIMING: 2469200 CPU: 7804.36, 0.00316711/step Wall: 7804.36, 0.00316711/step, 2.22648 hours remaining, 238.414062 MB of memory in use. ENERGY: 2469200 4007.3072 20531.8320 14398.8345 258.8983 -203570.2839 2778.5934 0.0000 0.0000 52426.2926 -109168.5260 301.2946 -161594.8185 -108811.8866 299.9292 -144.0787 -115.3248 761907.8060 7.4689 7.4346 PRESSURE: 2469400 -7.50725 7.0694 -63.7757 7.06961 -65.2643 -78.8524 -63.7756 -78.8519 45.7594 GPRESSURE: 2469400 42.6876 -73.6456 -41.3891 -27.8246 -59.0597 -126.345 -63.1246 -66.788 78.7554 PRESSAVG: 2469400 -0.196456 12.6024 -34.0573 12.6024 5.97857 -47.6033 -34.0572 -47.6034 6.26352 GPRESSAVG: 2469400 0.155496 15.2189 -34.8898 12.6249 6.01482 -49.2916 -34.4097 -48.8891 6.0529 TIMING: 2469400 CPU: 7804.99, 0.00316444/step Wall: 7804.99, 0.00316444/step, 2.22443 hours remaining, 238.414062 MB of memory in use. ENERGY: 2469400 3930.8404 20683.9273 14468.0898 237.1179 -203328.8433 2757.3288 0.0000 0.0000 52252.0452 -108999.4940 300.2932 -161251.5392 -108646.6103 300.5482 -9.0041 20.7944 761522.3955 4.0152 4.0744 PRESSURE: 2469600 -349.757 -180.708 100.941 -180.708 -343.887 -74.5499 100.941 -74.5489 -310.916 GPRESSURE: 2469600 -349.928 -125.317 43.2555 -294.374 -303.362 -103.351 -43.7066 -76.3072 -254.795 PRESSAVG: 2469600 -1.80441 9.25348 -9.63788 9.25347 39.1987 -12.847 -9.63781 -12.847 -7.25647 GPRESSAVG: 2469600 -2.3591 8.67044 -8.13002 9.73822 38.7844 -15.2765 -9.94277 -11.1337 -6.39974 TIMING: 2469600 CPU: 7805.62, 0.00316954/step Wall: 7805.62, 0.00316954/step, 2.22783 hours remaining, 238.414062 MB of memory in use. ENERGY: 2469600 3998.3633 20575.0643 14411.8031 237.5934 -202962.0745 2550.3952 0.0000 0.0000 52081.2362 -109107.6191 299.3116 -161188.8553 -108740.6145 300.3952 -334.8534 -302.6952 761911.9219 10.0459 10.0085 PRESSURE: 2469800 109.046 -86.4403 88.2035 -86.4408 -98.449 40.3003 88.2039 40.3007 -229.086 GPRESSURE: 2469800 120.473 -98.5716 136.086 -138.33 -48.7985 60.4936 13.3406 125.201 -204.342 PRESSAVG: 2469800 -25.8928 -27.3131 35.5683 -27.3131 11.3688 -9.16797 35.5683 -9.16795 28.5358 GPRESSAVG: 2469800 -27.2559 -26.6646 32.8626 -27.2838 11.0906 -6.4693 36.0824 -10.2025 29.5369 TIMING: 2469800 CPU: 7806.25, 0.00315001/step Wall: 7806.25, 0.00315001/step, 2.21393 hours remaining, 238.414062 MB of memory in use. ENERGY: 2469800 4030.6495 20497.7613 14405.0328 251.7861 -203397.9674 2812.9513 0.0000 0.0000 52012.7513 -109387.0351 298.9180 -161399.7863 -109025.2293 299.3706 -72.8298 -44.2223 761064.7742 4.6706 4.4572 PRESSURE: 2470000 -123.896 -72.8166 -91.1097 -72.8172 34.3658 -57.3402 -91.1094 -57.3404 -221.955 GPRESSURE: 2470000 -53.8093 -73.8676 -96.7505 -150.87 53.5784 -15.8801 -156.145 -161.988 -239.794 PRESSAVG: 2470000 -19.2736 -43.4251 -66.7657 -43.425 12.5158 -24.221 -66.7658 -24.2211 5.99002 GPRESSAVG: 2470000 -17.3876 -43.927 -65.1527 -43.325 11.4364 -23.5719 -67.034 -24.414 5.90024 TIMING: 2470000 CPU: 7806.88, 0.0031524/step Wall: 7806.88, 0.0031524/step, 2.21544 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2470000 3856.0929 20506.6295 14470.7285 270.9578 -203141.3104 2673.8729 0.0000 0.0000 51908.6479 -109454.3809 298.3197 -161363.0288 -109102.2717 298.9693 -103.8283 -80.0083 759951.0799 -0.2559 -0.0170 PRESSURE: 2470200 85.9734 48.468 -132.822 48.4685 -227.753 261.856 -132.822 261.856 89.8944 GPRESSURE: 2470200 33.3157 -6.251 -107.229 0.801856 -173.22 289.763 -53.7556 319.265 161.676 PRESSAVG: 2470200 31.6406 -26.5919 -20.8292 -26.5919 -21.6594 -56.1965 -20.8292 -56.1965 10.5186 GPRESSAVG: 2470200 30.6915 -27.3235 -21.3364 -26.5715 -19.9975 -56.8098 -20.3946 -55.2664 9.15473 TIMING: 2470200 CPU: 7807.51, 0.00315455/step Wall: 7807.51, 0.00315455/step, 2.21677 hours remaining, 238.414062 MB of memory in use. ENERGY: 2470200 3970.0510 20471.2105 14402.0027 261.3913 -202868.8011 2255.9570 0.0000 0.0000 52244.4808 -109263.7079 300.2497 -161508.1887 -108906.2619 299.3723 -17.2952 7.2570 761629.0601 6.8333 6.6162 PRESSURE: 2470400 353.292 -63.9765 133.852 -63.977 79.0252 120.583 133.852 120.583 274.271 GPRESSURE: 2470400 369.862 -132.564 88.1554 -37.248 79.4663 34.2363 17.6799 130.022 322.666 PRESSAVG: 2470400 -17.6703 -16.1636 13.9056 -16.1636 12.1686 -15.0223 13.9056 -15.0223 10.2253 GPRESSAVG: 2470400 -17.2721 -15.7004 14.8335 -16.791 11.3515 -16.7499 12.2353 -14.12 10.0254 TIMING: 2470400 CPU: 7808.15, 0.00319333/step Wall: 7808.15, 0.00319333/step, 2.24385 hours remaining, 238.414062 MB of memory in use. ENERGY: 2470400 4019.0823 20450.6649 14376.9323 240.2647 -203330.7861 2621.0596 0.0000 0.0000 52127.7751 -109495.0072 299.5790 -161622.7823 -109137.2174 298.9713 235.5294 257.3314 760130.6660 1.5745 1.3683 PRESSURE: 2470600 -131.808 145.832 -94.0621 145.832 -245.453 -124.593 -94.0628 -124.593 44.7767 GPRESSURE: 2470600 -103.531 192.614 -139.68 187.081 -178.741 -191.123 -80.0304 -128.531 20.2653 PRESSAVG: 2470600 -3.89683 50.447 -16.5157 50.447 29.1576 21.6775 -16.5157 21.6775 -1.30742 GPRESSAVG: 2470600 -4.67217 50.4804 -18.863 50.2104 29.5637 21.2489 -17.384 21.7158 -0.768814 TIMING: 2470600 CPU: 7808.79, 0.00316463/step Wall: 7808.79, 0.00316463/step, 2.22351 hours remaining, 238.414062 MB of memory in use. ENERGY: 2470600 3947.9529 20568.0149 14415.0385 254.4610 -202889.0085 2237.8929 0.0000 0.0000 51899.9857 -109565.6627 298.2699 -161465.6483 -109200.0835 299.1137 -110.8279 -87.3353 761562.3099 7.9845 8.0409 PRESSURE: 2470800 -179.308 297.063 -34.0274 297.063 -108.202 224.148 -34.0283 224.149 -26.8057 GPRESSURE: 2470800 -84.8236 216.051 -39.0769 243.242 -76.1607 226.985 88.9135 248.152 -75.5897 PRESSAVG: 2470800 -62.2192 46.1198 -17.9667 46.1198 29.0436 44.0775 -17.9666 44.0776 -2.82731 GPRESSAVG: 2470800 -61.8669 46.3034 -15.8884 47.1474 29.0002 46.5687 -17.3493 42.8197 -3.33202 TIMING: 2470800 CPU: 7809.42, 0.00315049/step Wall: 7809.42, 0.00315049/step, 2.21339 hours remaining, 238.414062 MB of memory in use. ENERGY: 2470800 4000.3166 20612.3497 14416.8950 259.4840 -203027.3113 2454.5664 0.0000 0.0000 51952.1008 -109331.5987 298.5694 -161283.6996 -108966.8600 298.9053 -104.7719 -78.8580 762477.2348 -12.0010 -12.0662 PRESSURE: 2471000 -123.732 -191.084 -20.4536 -191.084 -276.343 21.2001 -20.4531 21.2007 -179.484 GPRESSURE: 2471000 -133.053 -120.606 -95.0653 -97.4505 -227.721 102.196 199.87 -52.5004 -148.857 PRESSAVG: 2471000 5.58663 24.6046 -23.1789 24.6045 19.2277 -19.0804 -23.1789 -19.0804 -2.8458 GPRESSAVG: 2471000 3.58106 23.7917 -24.2288 26.4165 20.3413 -20.0002 -21.3898 -18.6668 -1.71077 TIMING: 2471000 CPU: 7810.05, 0.00317591/step Wall: 7810.05, 0.00317591/step, 2.23107 hours remaining, 238.414062 MB of memory in use. ENERGY: 2471000 4044.2106 20613.3309 14497.6563 236.8930 -203209.1249 2574.0413 0.0000 0.0000 52197.2564 -109045.7364 299.9784 -161242.9928 -108687.1115 299.6003 -193.1863 -169.8768 763029.5146 7.3228 7.4039 PRESSURE: 2471200 160.7 -113.363 44.0425 -113.363 15.6153 35.8091 44.0429 35.8097 -166.171 GPRESSURE: 2471200 245.56 -8.98892 -20.0401 -70.8068 21.975 29.4244 52.8789 189.382 -164.599 PRESSAVG: 2471200 1.44341 6.91532 10.6063 6.91529 -39.9292 24.7003 10.6063 24.7002 5.3276 GPRESSAVG: 2471200 2.20697 8.23304 10.229 3.99778 -40.4127 25.7378 10.9207 25.352 5.01521 TIMING: 2471200 CPU: 7810.69, 0.00318616/step Wall: 7810.69, 0.00318616/step, 2.2381 hours remaining, 238.414062 MB of memory in use. ENERGY: 2471200 4019.8334 20599.6140 14448.7094 250.9708 -203295.9072 2958.6444 0.0000 0.0000 52153.7980 -108864.3372 299.7286 -161018.1352 -108504.9603 300.2034 3.3814 34.3120 761984.4717 -11.0527 -11.0635 PRESSURE: 2471400 -20.6762 91.5707 -149.046 91.5708 154.456 263.732 -149.046 263.731 23.9175 GPRESSURE: 2471400 72.2783 151.651 -213.75 35.8853 160.881 194.889 -92.4024 221.061 7.74149 PRESSAVG: 2471400 39.801 -25.0653 -33.9698 -25.0653 -11.3211 41.3412 -33.9698 41.3412 -11.5537 GPRESSAVG: 2471400 41.2179 -25.3864 -33.817 -23.7832 -11.5999 38.7999 -35.0211 40.9229 -12.8438 TIMING: 2471400 CPU: 7811.32, 0.0031758/step Wall: 7811.32, 0.0031758/step, 2.23065 hours remaining, 238.414062 MB of memory in use. ENERGY: 2471400 4077.5797 20499.3800 14411.2732 272.5053 -202830.4812 2453.1001 0.0000 0.0000 52116.5386 -109000.1044 299.5145 -161116.6430 -108649.4050 300.8806 52.5659 80.3004 761195.1999 5.6421 5.5914 PRESSURE: 2471600 -126.797 -225.654 153.928 -225.654 271.39 -29.1319 153.927 -29.1334 347.382 GPRESSURE: 2471600 -53.6389 -271.188 212.727 -138.302 285.677 80.1145 191.421 -84.4907 342.858 PRESSAVG: 2471600 -25.6882 29.2455 -85.9195 29.2456 -16.8148 66.9393 -85.9195 66.9393 -4.02685 GPRESSAVG: 2471600 -26.2341 28.2375 -86.0133 30.8877 -17.2529 69.3895 -85.1974 64.5827 -2.83543 TIMING: 2471600 CPU: 7811.95, 0.00315112/step Wall: 7811.95, 0.00315112/step, 2.21314 hours remaining, 238.414062 MB of memory in use. ENERGY: 2471600 3969.2711 20616.8568 14468.0818 262.0083 -203183.3842 2548.4830 0.0000 0.0000 52138.1804 -109180.5028 299.6388 -161318.6832 -108817.3621 300.5431 163.9919 191.6320 760536.1941 -15.5099 -15.4408 PRESSURE: 2471800 134.602 127.201 -96.4814 127.2 -137.396 -8.30977 -96.4818 -8.31085 159.385 GPRESSURE: 2471800 71.4888 20.6711 -204.222 76.7688 -19.5804 18.7443 -97.6277 -13.8781 159.159 PRESSAVG: 2471800 -61.9592 6.54529 -35.9858 6.54532 64.3821 11.4823 -35.9858 11.4823 15.6219 GPRESSAVG: 2471800 -63.0179 7.28141 -35.5623 2.99107 65.7353 10.449 -35.4583 13.3199 15.589 TIMING: 2471800 CPU: 7812.59, 0.00316918/step Wall: 7812.59, 0.00316918/step, 2.22565 hours remaining, 238.414062 MB of memory in use. ENERGY: 2471800 3998.2700 20753.7420 14439.4867 276.9640 -203494.0819 2576.0179 0.0000 0.0000 52269.4770 -109180.1244 300.3934 -161449.6014 -108817.6981 299.9333 52.1973 70.3557 759799.9929 6.0149 6.1021 PRESSURE: 2472000 77.6811 216.738 179.051 216.738 -289.82 -154.797 179.05 -154.798 267.507 GPRESSURE: 2472000 51.8221 244.725 208.208 129.914 -192.338 -156.258 346.748 -101.111 249.993 PRESSAVG: 2472000 5.40782 24.1998 -46.9451 24.1997 42.6239 -21.3183 -46.945 -21.3183 -1.2539 GPRESSAVG: 2472000 5.79538 24.5389 -45.8138 26.2618 41.4474 -20.8784 -47.6006 -19.9358 -0.43775 TIMING: 2472000 CPU: 7813.22, 0.00315712/step Wall: 7813.22, 0.00315712/step, 2.217 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2472000 4076.8621 20806.4257 14365.6534 256.8156 -203185.0139 2253.2858 0.0000 0.0000 52173.9015 -109252.0698 299.8441 -161425.9713 -108895.1400 300.1656 18.4560 36.4924 760726.3590 15.5926 15.6017 PRESSURE: 2472200 -168.346 -226.886 279.672 -226.886 39.7866 196.133 279.671 196.132 97.5921 GPRESSURE: 2472200 -159.719 -139.227 192.674 -202.38 92.7926 132.22 256.712 69.4972 131.488 PRESSAVG: 2472200 -33.9146 -20.727 -15.4364 -20.7271 33.8051 -7.44411 -15.4364 -7.44413 19.3406 GPRESSAVG: 2472200 -34.0734 -22.2638 -14.0074 -19.5006 32.6882 -8.03166 -14.6777 -8.37508 20.3896 TIMING: 2472200 CPU: 7813.85, 0.0031517/step Wall: 7813.85, 0.0031517/step, 2.21302 hours remaining, 238.414062 MB of memory in use. ENERGY: 2472200 4052.4527 20527.3947 14524.0824 254.7386 -203104.5656 2304.5021 0.0000 0.0000 52176.0593 -109265.3358 299.8565 -161441.3951 -108895.3406 300.1786 -10.3226 21.5206 760113.5224 6.4104 6.3348 LDB: ============= START OF LOAD BALANCING ============== 7826.25 LDB: ============== END OF LOAD BALANCING =============== 7826.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7826.25 LDB: ============= START OF LOAD BALANCING ============== 7826.57 LDB: Largest compute 7025 load 0.035134 is 17.9% of average load 0.195899 LDB: Average compute 0.004399 is 2.2% of average load 0.195899 LDB: TIME 7826.57 LOAD: AVG 0.195899 MAX 0.2184 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 7826.58 LOAD: AVG 0.195899 MAX 0.2184 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 7826.58 LOAD: AVG 0.195899 MAX 0.2184 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 7826.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7826.58 PRESSURE: 2472400 233.06 312.017 -69.7818 312.017 214.344 -13.7114 -69.7815 -13.7122 -129.539 GPRESSURE: 2472400 240.547 321.321 -138.094 234.888 298.678 33.3149 -204.819 77.3099 -141.949 PRESSAVG: 2472400 -8.42422 94.842 11.3208 94.842 -1.11106 -21.107 11.3208 -21.1071 -19.2822 GPRESSAVG: 2472400 -7.50624 95.469 9.82945 93.5269 -0.721351 -19.711 10.5201 -22.5622 -21.6138 TIMING: 2472400 CPU: 7814.5, 0.00324841/step Wall: 7814.5, 0.00324841/step, 2.28075 hours remaining, 237.843750 MB of memory in use. ENERGY: 2472400 3943.1728 20511.2129 14518.5396 233.3065 -203105.6480 2317.3116 0.0000 0.0000 52097.5831 -109484.5215 299.4055 -161582.1045 -109113.0083 299.6217 105.9548 132.4257 760286.0166 -9.6058 -9.9471 PRESSURE: 2472600 103.305 160.967 76.1042 160.967 -26.6895 27.7417 76.1037 27.7418 -163.821 GPRESSURE: 2472600 119.659 149.017 82.2783 83.6699 48.7347 16.2075 75.3771 198.075 -164.758 PRESSAVG: 2472600 37.4456 44.0703 -25.2891 44.0704 11.9685 63.3122 -25.2891 63.3123 -17.6797 GPRESSAVG: 2472600 35.9196 43.8268 -24.3417 41.8871 12.9012 62.3266 -26.1483 65.0562 -16.589 TIMING: 2472600 CPU: 7815.13, 0.00316466/step Wall: 7815.13, 0.00316466/step, 2.22176 hours remaining, 237.843750 MB of memory in use. ENERGY: 2472600 3955.6913 20625.2495 14473.2446 255.9853 -203094.8793 2392.9162 0.0000 0.0000 52127.1277 -109264.6646 299.5753 -161391.7923 -108903.2408 299.5714 -29.0685 1.2119 761380.9529 10.5781 10.7440 PRESSURE: 2472800 -259.09 -106.35 -140.809 -106.351 -526.57 4.11573 -140.81 4.11585 -119.95 GPRESSURE: 2472800 -164.228 -123.223 -104.694 -155.139 -518.519 -87.1804 -151.226 25.9193 -130.592 PRESSAVG: 2472800 35.3525 -3.84934 -2.37103 -3.84937 -13.9436 17.6897 -2.37109 17.6898 20.323 GPRESSAVG: 2472800 35.2062 -5.23727 -2.23969 -1.20174 -14.451 17.8497 -1.82336 15.9327 20.3937 TIMING: 2472800 CPU: 7815.76, 0.0031542/step Wall: 7815.76, 0.0031542/step, 2.21425 hours remaining, 237.843750 MB of memory in use. ENERGY: 2472800 3994.6597 20600.7828 14486.7236 244.7230 -202965.1815 2217.7732 0.0000 0.0000 52007.9137 -109412.6055 298.8902 -161420.5191 -109048.7923 299.8314 -301.8701 -271.1131 760930.7080 13.9106 13.7163 PRESSURE: 2473000 316.916 90.9264 -7.70981 90.927 265.289 132.277 -7.70907 132.275 -60.1793 GPRESSURE: 2473000 347.16 57.1412 26.8957 11.6324 318.311 174.221 40.8995 8.0202 -63.4332 PRESSAVG: 2473000 -70.0305 -74.2689 38.2814 -74.2689 33.0985 3.46137 38.2814 3.46141 -8.17264 GPRESSAVG: 2473000 -69.5036 -74.033 38.7745 -75.6236 32.5953 2.52575 38.0154 5.06809 -8.58454 TIMING: 2473000 CPU: 7816.4, 0.0031804/step Wall: 7816.4, 0.0031804/step, 2.23246 hours remaining, 237.843750 MB of memory in use. ENERGY: 2473000 3957.7203 20631.7429 14419.7558 247.9818 -203526.4814 2751.9708 0.0000 0.0000 52056.9024 -109460.4073 299.1717 -161517.3097 -109100.8920 299.6839 174.0084 200.6795 760780.4836 -15.0349 -15.1643 PRESSURE: 2473200 250.498 -12.3936 -176.925 -12.3944 -142.861 -106.171 -176.924 -106.17 196.312 GPRESSURE: 2473200 307.01 -23.1537 -234.204 -54.7818 -71.3914 -122.416 -44.1999 -61.9572 158.814 PRESSAVG: 2473200 -5.61373 -41.5234 37.4716 -41.5234 18.9073 -20.37 37.4717 -20.37 -23.1108 GPRESSAVG: 2473200 -5.6494 -41.0494 35.9872 -40.7976 18.6327 -19.0287 40.2325 -20.6986 -23.0622 TIMING: 2473200 CPU: 7817.03, 0.00314834/step Wall: 7817.03, 0.00314834/step, 2.20978 hours remaining, 237.843750 MB of memory in use. ENERGY: 2473200 3915.5512 20832.9720 14463.2080 261.0810 -203687.2094 2678.4466 0.0000 0.0000 52092.2475 -109443.7032 299.3749 -161535.9507 -109091.6997 299.4122 101.3162 131.4774 759727.8971 -3.2724 -3.3596 PRESSURE: 2473400 -142.832 -188.363 218.03 -188.363 55.8094 22.8685 218.03 22.868 183.754 GPRESSURE: 2473400 29.3523 -232.915 189.256 -107.422 72.3369 3.99178 236.352 -92.8708 109.346 PRESSAVG: 2473400 -9.11776 -21.0091 33.2499 -21.0091 -0.713242 33.2393 33.2498 33.2393 -19.3678 GPRESSAVG: 2473400 -7.96645 -20.9733 32.8042 -20.6744 -0.283602 33.5556 31.1662 32.3133 -20.852 TIMING: 2473400 CPU: 7817.66, 0.00314695/step Wall: 7817.66, 0.00314695/step, 2.20864 hours remaining, 237.843750 MB of memory in use. ENERGY: 2473400 4006.6397 20463.5374 14414.3332 260.3695 -203312.2058 2359.8794 0.0000 0.0000 52115.9578 -109691.4888 299.5111 -161807.4466 -109332.9609 299.0176 32.2438 70.3450 761107.5812 -9.7329 -9.7007 PRESSURE: 2473600 83.1032 -113.621 96.1884 -113.621 -87.3281 235.301 96.1888 235.302 -42.7198 GPRESSURE: 2473600 198.998 -89.7586 -10.4508 -154.772 -132.343 231.24 -3.76546 226.399 -44.2287 PRESSAVG: 2473600 -28.5054 -63.3687 -4.94127 -63.3688 35.0643 23.0295 -4.94131 23.0295 23.0819 GPRESSAVG: 2473600 -28.5376 -60.4741 -5.3982 -64.3699 34.888 22.7783 -5.28485 24.3237 23.489 TIMING: 2473600 CPU: 7818.3, 0.00318683/step Wall: 7818.3, 0.00318683/step, 2.23645 hours remaining, 237.843750 MB of memory in use. ENERGY: 2473600 3891.0213 20735.4392 14343.2536 256.6476 -203299.1410 2354.9296 0.0000 0.0000 52346.5892 -109371.2604 300.8366 -161717.8497 -109002.3361 299.4953 -15.6482 7.4754 760813.7107 9.8803 9.9465 PRESSURE: 2473800 162.86 -33.0983 65.7765 -33.0991 -171.057 -103.341 65.7758 -103.341 297.691 GPRESSURE: 2473800 166.154 45.7432 33.0916 -55.635 -82.5421 -158.215 35.9054 13.6465 265.823 PRESSAVG: 2473800 -41.7945 -9.71774 -54.9793 -9.71787 32.4887 60.335 -54.9793 60.335 0.0148634 GPRESSAVG: 2473800 -42.9448 -10.2923 -55.3263 -11.4334 32.0064 58.9692 -54.0529 59.2137 1.33757 TIMING: 2473800 CPU: 7818.93, 0.00316764/step Wall: 7818.93, 0.00316764/step, 2.2228 hours remaining, 237.843750 MB of memory in use. ENERGY: 2473800 3982.2741 20562.2621 14423.5818 243.9428 -203224.5790 2414.9797 0.0000 0.0000 52103.1942 -109494.3442 299.4378 -161597.5383 -109127.3831 299.6222 96.4978 116.4784 761266.8939 -3.0970 -3.2003 PRESSURE: 2474000 -221.661 -50.662 -42.6785 -50.6626 -108.806 -18.6327 -42.6789 -18.6318 183.478 GPRESSURE: 2474000 -131.942 52.4779 53.4195 3.23362 -53.6525 44.9537 -17.5061 -21.9846 100.24 PRESSAVG: 2474000 -9.3426 -8.16752 28.3225 -8.16754 8.45945 18.179 28.3225 18.1789 20.1839 GPRESSAVG: 2474000 -8.42048 -9.5863 28.7429 -5.69219 7.9514 18.9635 28.7982 17.4318 20.0167 TIMING: 2474000 CPU: 7819.57, 0.003197/step Wall: 7819.57, 0.003197/step, 2.24323 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2474000 4006.2641 20589.9198 14457.5379 244.5262 -203590.8701 2734.7050 0.0000 0.0000 51933.4824 -109624.4348 298.4624 -161557.9171 -109256.5850 299.6665 -48.9963 -28.4513 761104.8839 6.4336 6.5159 PRESSURE: 2474200 -343.987 246.206 189.011 246.206 -94.6814 104.28 189.01 104.281 -182.866 GPRESSURE: 2474200 -323.133 244.366 200.837 106.818 -131.264 43.9288 130.66 102.833 -97.4835 PRESSAVG: 2474200 -49.4481 -12.0098 -18.1208 -12.0099 66.1486 -35.66 -18.1208 -35.66 -18.4466 GPRESSAVG: 2474200 -49.8991 -10.5061 -17.8135 -12.7486 66.9761 -36.3947 -19.095 -33.8745 -18.9965 TIMING: 2474200 CPU: 7820.21, 0.0031825/step Wall: 7820.21, 0.00318249/step, 2.23287 hours remaining, 237.843750 MB of memory in use. ENERGY: 2474200 3980.3082 20617.3224 14404.4393 228.8255 -203618.5419 2466.3365 0.0000 0.0000 52100.8138 -109820.4963 299.4241 -161921.3101 -109462.2594 299.0307 -207.1779 -183.9601 760543.8583 -0.5820 -0.6398 PRESSURE: 2474400 -485.841 -241.452 108.538 -241.451 -5.29721 -384.366 108.538 -384.366 134.468 GPRESSURE: 2474400 -334.005 -242.964 94.3385 -209.683 5.8386 -330.081 85.5225 -166.062 70.0814 PRESSAVG: 2474400 -32.871 -75.1067 22.386 -75.1068 19.6589 42.1538 22.386 42.1538 12.6649 GPRESSAVG: 2474400 -32.7698 -76.9176 21.6437 -75.094 20.4103 41.3766 24.656 41.9513 12.1338 TIMING: 2474400 CPU: 7820.84, 0.00317563/step Wall: 7820.84, 0.00317563/step, 2.22788 hours remaining, 237.843750 MB of memory in use. ENERGY: 2474400 3997.4431 20719.9240 14425.9960 262.5875 -203820.7033 2553.9235 0.0000 0.0000 52113.1917 -109747.6374 299.4952 -161860.8291 -109397.2993 298.5023 -118.8899 -86.0285 760130.5594 -0.1824 -0.0752 PRESSURE: 2474600 44.9935 -14.8886 -140.707 -14.8879 70.3948 -54.6527 -140.706 -54.6546 -122.951 GPRESSURE: 2474600 174.186 -1.01837 -138.457 13.634 58.0451 -27.1235 -128.814 -154.593 -135.884 PRESSAVG: 2474600 -11.5935 -26.9812 -7.61582 -26.9811 37.0151 -8.71247 -7.61578 -8.71243 37.3687 GPRESSAVG: 2474600 -10.8844 -25.8907 -6.16126 -25.3785 36.8628 -6.62342 -10.0326 -9.46705 37.987 TIMING: 2474600 CPU: 7821.47, 0.00315472/step Wall: 7821.47, 0.00315472/step, 2.21304 hours remaining, 237.843750 MB of memory in use. ENERGY: 2474600 3988.5460 20527.8559 14436.5953 257.1344 -203856.9364 2697.6385 0.0000 0.0000 52054.4721 -109894.6942 299.1578 -161949.1663 -109530.7668 298.8893 -2.5207 32.1155 759815.6076 20.9301 21.3218 PRESSURE: 2474800 128.564 8.64853 10.6894 8.64949 123.603 17.4617 10.6886 17.4616 -739.832 GPRESSURE: 2474800 136.05 25.4051 -43.7137 7.15225 143.09 -116.441 66.2809 64.2557 -692.83 PRESSAVG: 2474800 -49.0881 -36.5478 -10.4124 -36.5478 23.0112 14.3394 -10.4124 14.3393 -20.4051 GPRESSAVG: 2474800 -50.3147 -36.278 -11.7528 -36.9808 24.1296 12.9538 -9.11535 12.2508 -20.3683 TIMING: 2474800 CPU: 7822.1, 0.00315744/step Wall: 7822.1, 0.00315744/step, 2.21477 hours remaining, 237.843750 MB of memory in use. ENERGY: 2474800 3953.8207 20641.9794 14407.2022 245.8991 -203719.8104 2755.1920 0.0000 0.0000 51859.1539 -109856.5631 298.0353 -161715.7170 -109491.6460 298.7178 -162.5549 -137.8968 760287.3638 -15.4940 -15.5178 PRESSURE: 2475000 -472.187 111.793 -112.907 111.792 92.2408 122.8 -112.908 122.799 -454.434 GPRESSURE: 2475000 -365.262 54.4451 -80.7902 113.235 22.6282 106.371 -38.4547 169.182 -421.632 PRESSAVG: 2475000 -31.8198 -57.145 42.598 -57.1451 81.5728 20.6831 42.598 20.683 1.64665 GPRESSAVG: 2475000 -31.3782 -57.3581 43.059 -60.8767 81.233 21.1614 40.9297 21.7917 1.78937 TIMING: 2475000 CPU: 7822.73, 0.00315037/step Wall: 7822.73, 0.00315036/step, 2.20963 hours remaining, 237.843750 MB of memory in use. ENERGY: 2475000 4002.8119 20612.0852 14447.5630 236.9286 -203526.4912 2498.5523 0.0000 0.0000 51987.7013 -109740.8490 298.7740 -161728.5503 -109367.3626 298.6813 -278.1266 -254.7554 760715.8162 17.1332 17.2147 PRESSURE: 2475200 106.991 129.616 -81.0048 129.616 -296.435 -164.227 -81.0045 -164.226 24.0079 GPRESSURE: 2475200 144.415 -32.9386 -146.98 92.272 -254.866 4.39612 27.0604 -131.922 31.9005 PRESSAVG: 2475200 -6.50184 6.34283 13.2119 6.34289 -23.8308 29.2298 13.2118 29.2298 16.9009 GPRESSAVG: 2475200 -6.82598 3.99247 12.2243 9.44881 -24.9809 28.8935 15.5241 28.7626 17.7584 TIMING: 2475200 CPU: 7823.36, 0.00315722/step Wall: 7823.36, 0.00315722/step, 2.21426 hours remaining, 237.843750 MB of memory in use. ENERGY: 2475200 4002.8056 20520.0328 14428.7845 257.0172 -203330.6303 2534.7199 0.0000 0.0000 51792.6662 -109794.6041 297.6532 -161587.2703 -109439.3353 299.3996 -55.1455 -26.1834 758788.6880 -4.4772 -4.6828 PRESSURE: 2475400 179.814 47.0981 154.772 47.0979 46.456 28.5255 154.774 28.5254 9.60997 GPRESSURE: 2475400 194.482 71.5442 79.7249 35.9737 91.5208 -26.5949 287.475 133.088 32.7361 PRESSAVG: 2475400 28.861 18.0103 15.8773 18.0103 -4.81129 80.4472 15.8774 80.4471 -10.7948 GPRESSAVG: 2475400 30.6514 19.3486 16.0339 17.4768 -6.22387 81.113 14.268 82.7465 -11.4093 TIMING: 2475400 CPU: 7824.01, 0.00320273/step Wall: 7824.01, 0.00320274/step, 2.24601 hours remaining, 237.843750 MB of memory in use. ENERGY: 2475400 4077.1906 20578.8659 14509.7140 234.1007 -204063.7013 2797.4488 0.0000 0.0000 52182.5180 -109683.8632 299.8936 -161866.3812 -109319.6232 298.7976 78.6268 106.2463 759179.1379 4.4183 4.3394 PRESSURE: 2475600 -130.537 66.0592 -113.981 66.0589 65.7496 -61.9815 -113.981 -61.9813 -246.889 GPRESSURE: 2475600 -105.742 -46.6014 -197.208 127.136 99.2944 -31.3491 -146.613 17.5567 -230.306 PRESSAVG: 2475600 5.05029 -64.3661 21.4969 -64.3661 21.4119 49.6774 21.4968 49.6773 -13.7809 GPRESSAVG: 2475600 4.47562 -65.5128 21.9659 -64.8193 21.8129 49.632 20.9505 46.9996 -13.6491 TIMING: 2475600 CPU: 7824.64, 0.00317587/step Wall: 7824.64, 0.00317587/step, 2.22699 hours remaining, 237.843750 MB of memory in use. ENERGY: 2475600 4032.2982 20591.8872 14469.1477 250.0949 -203795.0355 2613.1901 0.0000 0.0000 52008.3284 -109830.0890 298.8926 -161838.4174 -109472.4048 299.1372 -103.8923 -78.9177 759711.8243 4.2271 4.2131 PRESSURE: 2475800 -128.334 -12.1421 -121.733 -12.1418 -58.2605 134.41 -121.734 134.409 -76.7016 GPRESSURE: 2475800 -99.7679 -0.465705 -5.55357 -27.1651 20.3418 109.981 -140.396 132.83 -97.8565 PRESSAVG: 2475800 27.6871 -21.6506 -27.4521 -21.6507 3.37536 33.6204 -27.4521 33.6203 36.9037 GPRESSAVG: 2475800 27.1451 -18.0305 -26.8108 -23.3353 4.73945 33.3293 -26.9636 33.8535 36.2791 TIMING: 2475800 CPU: 7825.28, 0.00318648/step Wall: 7825.28, 0.00318648/step, 2.23425 hours remaining, 237.843750 MB of memory in use. ENERGY: 2475800 3972.5099 20617.8328 14367.2067 261.0831 -203923.3226 2636.6901 0.0000 0.0000 52103.0812 -109964.9187 299.4371 -162067.9999 -109611.4760 298.7181 -87.7653 -59.0942 760470.0372 22.6554 22.7212 PRESSURE: 2476000 365.81 161.39 72.7295 161.39 -213.949 -79.5284 72.7298 -79.5283 -114.028 GPRESSURE: 2476000 347.005 160.998 57.5127 194.556 -160.779 -47.3745 106.073 -95.2834 -69.9006 PRESSAVG: 2476000 17.5164 44.7011 3.42817 44.7011 -42.0172 4.55179 3.42817 4.55174 0.681747 GPRESSAVG: 2476000 16.3942 43.9546 3.88501 46.2616 -42.7037 4.40605 1.66501 6.54946 1.88459 TIMING: 2476000 CPU: 7825.91, 0.00316948/step Wall: 7825.91, 0.00316948/step, 2.22216 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2476000 4039.7203 20630.4278 14383.0722 238.1962 -203747.2351 2674.5487 0.0000 0.0000 51883.7236 -109897.5463 298.1765 -161781.2699 -109532.5507 298.4453 12.6108 38.7749 760524.4936 -7.9397 -8.1416 PRESSURE: 2476200 222.087 -172.8 270.611 -172.8 -214.49 181.879 270.611 181.878 -328.719 GPRESSURE: 2476200 212.113 -69.8279 217.961 -264.498 -131.472 50.5837 159.772 136.97 -318.701 PRESSAVG: 2476200 4.61879 -43.9872 35.4038 -43.9871 -33.2463 40.8938 35.4038 40.8938 4.57265 GPRESSAVG: 2476200 5.01678 -44.9474 35.7213 -43.8239 -31.4687 40.3329 35.9242 39.6649 2.26906 TIMING: 2476200 CPU: 7826.54, 0.00316655/step Wall: 7826.54, 0.00316655/step, 2.21993 hours remaining, 237.843750 MB of memory in use. ENERGY: 2476200 4072.5560 20570.9885 14418.2729 241.1856 -204281.3376 3051.5657 0.0000 0.0000 52164.4919 -109762.2771 299.7901 -161926.7689 -109406.9350 298.4997 -107.0409 -79.3531 760586.9802 -8.0183 -8.0610 LDB: ============= START OF LOAD BALANCING ============== 7838.95 LDB: ============== END OF LOAD BALANCING =============== 7838.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7838.95 LDB: ============= START OF LOAD BALANCING ============== 7839.27 LDB: Largest compute 7075 load 0.035527 is 18.1% of average load 0.195997 LDB: Average compute 0.004389 is 2.2% of average load 0.195997 LDB: TIME 7839.27 LOAD: AVG 0.195997 MAX 0.220468 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 7839.27 LOAD: AVG 0.195997 MAX 0.220468 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: TIME 7839.27 LOAD: AVG 0.195997 MAX 0.220468 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7839.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7839.28 PRESSURE: 2476400 -119.604 103.375 43.2466 103.375 -160.798 110.96 43.2477 110.96 -55.1778 GPRESSURE: 2476400 -37.0127 88.1109 23.7448 70.6618 -92.1222 126.783 -17.3607 126.742 -140.918 PRESSAVG: 2476400 -33.0011 -16.4326 6.04311 -16.4326 37.9622 11.5979 6.04306 11.5979 5.43355 GPRESSAVG: 2476400 -31.7313 -15.7247 5.8095 -15.859 36.4211 14.0123 5.20236 9.24332 5.76748 TIMING: 2476400 CPU: 7827.2, 0.00326413/step Wall: 7827.2, 0.00326413/step, 2.28816 hours remaining, 238.613281 MB of memory in use. ENERGY: 2476400 3964.6768 20642.8469 14394.4309 233.8241 -203927.8154 2840.9940 0.0000 0.0000 52233.6707 -109617.3720 300.1876 -161851.0428 -109258.2669 299.2414 -111.8600 -90.0176 759836.3623 3.4649 3.4857 PRESSURE: 2476600 63.7829 -95.6466 127.718 -95.6464 -391.319 -89.1289 127.718 -89.1282 -400.97 GPRESSURE: 2476600 -19.6705 -70.3906 66.8158 -227.317 -272.733 -103.53 139.413 -21.6927 -360.044 PRESSAVG: 2476600 -33.9607 7.72581 10.7786 7.72578 20.9051 14.4823 10.7787 14.4823 7.93849 GPRESSAVG: 2476600 -35.745 5.19156 11.0454 8.18603 22.0915 13.8014 11.385 19.0204 8.24127 TIMING: 2476600 CPU: 7827.83, 0.00317681/step Wall: 7827.83, 0.00317681/step, 2.22677 hours remaining, 238.613281 MB of memory in use. ENERGY: 2476600 4044.4336 20507.2610 14433.9618 241.9144 -203264.2240 2428.9266 0.0000 0.0000 52066.3068 -109541.4197 299.2258 -161607.7265 -109171.0444 299.5437 -242.8354 -217.4825 760646.5950 -1.7057 -1.8041 PRESSURE: 2476800 29.292 -67.7904 -157.326 -67.7906 -308.978 30.4145 -157.326 30.4141 427.193 GPRESSURE: 2476800 88.0699 -86.0716 -287.779 -39.8519 -220.17 91.5266 -145.835 -25.6304 368.055 PRESSAVG: 2476800 38.4691 -32.0855 -0.969959 -32.0855 -56.7833 11.0403 -0.970022 11.0403 2.27011 GPRESSAVG: 2476800 38.3868 -32.1111 -2.33564 -33.3401 -57.6009 11.8408 0.114095 8.46534 3.09163 TIMING: 2476800 CPU: 7828.47, 0.00317389/step Wall: 7828.47, 0.00317389/step, 2.22454 hours remaining, 238.613281 MB of memory in use. ENERGY: 2476800 3993.1917 20479.4574 14411.7456 254.2120 -203240.9913 2388.9145 0.0000 0.0000 52147.0960 -109566.3741 299.6901 -161713.4701 -109198.1674 299.1681 49.1689 78.6516 759056.4983 -5.3480 -5.3742 PRESSURE: 2477000 181.163 -38.8619 174.481 -38.8617 -14.9407 -5.93792 174.482 -5.93678 -341.738 GPRESSURE: 2477000 207.613 -140.325 60.2261 0.631644 52.076 -28.1381 107.48 82.8038 -352.865 PRESSAVG: 2477000 49.0945 5.93179 -1.77408 5.93177 -16.4811 -9.16986 -1.77409 -9.16985 -29.2985 GPRESSAVG: 2477000 48.6739 7.12985 -2.26528 5.57079 -15.9549 -10.6627 -1.32796 -8.70033 -29.9406 TIMING: 2477000 CPU: 7829.1, 0.00316857/step Wall: 7829.1, 0.00316857/step, 2.22064 hours remaining, 238.613281 MB of memory in use. ENERGY: 2477000 3939.5718 20623.5537 14347.2120 258.0713 -202871.8774 2121.8813 0.0000 0.0000 51962.3142 -109619.2731 298.6281 -161581.5873 -109257.1139 299.3463 -58.5054 -31.0585 761188.2028 1.1050 0.9262 PRESSURE: 2477200 -191.466 -139.95 78.8884 -139.95 -289.357 274.858 78.8884 274.857 85.0512 GPRESSURE: 2477200 -217.761 -98.541 19.276 -230.799 -170.464 186.475 112.695 242.121 61.8347 PRESSAVG: 2477200 37.5513 -54.4493 -19.3316 -54.4493 -9.11626 39.6646 -19.3316 39.6645 14.9702 GPRESSAVG: 2477200 37.0006 -55.3435 -17.5881 -53.5135 -8.42707 41.5414 -20.2384 38.8902 15.0722 TIMING: 2477200 CPU: 7829.74, 0.00317285/step Wall: 7829.74, 0.00317285/step, 2.22347 hours remaining, 238.613281 MB of memory in use. ENERGY: 2477200 3999.4775 20658.7234 14444.8235 258.4793 -203345.2970 2632.3460 0.0000 0.0000 51900.5890 -109450.8583 298.2734 -161351.4473 -109091.3550 299.2665 -131.9240 -108.7969 760900.0850 14.4684 14.5486 PRESSURE: 2477400 392.805 -48.2246 -228.668 -48.2246 -9.21467 -194.174 -228.669 -194.174 209.521 GPRESSURE: 2477400 337.248 -112.998 -122.797 36.7743 163.827 -74.7965 -156.607 -62.7028 180.736 PRESSAVG: 2477400 -0.549072 19.4682 -21.4195 19.4682 5.76088 -11.3207 -21.4196 -11.3207 21.2805 GPRESSAVG: 2477400 0.842803 21.2357 -23.2252 18.7995 4.85316 -11.4287 -19.5201 -8.85013 20.8711 TIMING: 2477400 CPU: 7830.37, 0.0031742/step Wall: 7830.37, 0.0031742/step, 2.22423 hours remaining, 238.613281 MB of memory in use. ENERGY: 2477400 3929.4400 20569.3369 14345.9239 256.4075 -203406.4258 2851.5071 0.0000 0.0000 52230.1273 -109223.6832 300.1673 -161453.8104 -108859.6358 299.5012 197.7038 227.2705 761528.4380 8.8308 8.8557 PRESSURE: 2477600 -176.839 -35.1217 -70.3815 -35.1222 -210.757 -4.63785 -70.3816 -4.63891 34.3019 GPRESSURE: 2477600 -252.876 112.817 -162.897 41.3997 -9.48761 -15.5221 -28.4003 -2.63403 -0.881867 PRESSAVG: 2477600 -5.67063 -3.24369 10.2824 -3.24369 9.63518 7.52332 10.2824 7.52326 4.85252 GPRESSAVG: 2477600 -6.37629 -3.07642 10.3564 -3.2022 10.4634 7.41358 8.74788 4.87259 4.02506 TIMING: 2477600 CPU: 7831, 0.00316443/step Wall: 7831, 0.00316443/step, 2.21721 hours remaining, 238.613281 MB of memory in use. ENERGY: 2477600 4062.1162 20601.1650 14429.7833 258.6149 -203196.5608 2445.6325 0.0000 0.0000 52305.3725 -109093.8763 300.5997 -161399.2488 -108743.8936 299.8092 -117.7649 -87.7484 760945.2187 2.9390 2.7041 PRESSURE: 2477800 293.837 -13.6658 151.001 -13.665 217.088 130.075 151.001 130.075 -127.174 GPRESSURE: 2477800 247.243 7.24631 156.628 -110.55 313.998 115.001 82.8316 113.333 -102.267 PRESSAVG: 2477800 -61.7163 -20.2205 -31.4276 -20.2205 55.592 26.0474 -31.4276 26.0475 10.0721 GPRESSAVG: 2477800 -62.2662 -22.3788 -30.8226 -20.3466 53.872 24.1256 -31.5743 26.8442 12.0606 TIMING: 2477800 CPU: 7831.64, 0.00316891/step Wall: 7831.64, 0.00316891/step, 2.22018 hours remaining, 238.613281 MB of memory in use. ENERGY: 2477800 4008.8599 20576.4645 14403.0622 247.9675 -203338.1837 2758.9221 0.0000 0.0000 52161.1900 -109181.7174 299.7711 -161342.9074 -108816.1454 300.1311 127.9170 152.9917 760904.3523 1.3159 1.2221 PRESSURE: 2478000 73.1704 91.795 19.9517 91.7947 226.915 -93.2158 19.9509 -93.2165 378.028 GPRESSURE: 2478000 165.181 -5.34461 -5.82157 257.335 255.303 -183.464 12.2298 -10.6899 345.582 PRESSAVG: 2478000 -27.9662 -31.8567 0.132734 -31.8567 25.7897 22.4304 0.132836 22.4304 7.64164 GPRESSAVG: 2478000 -27.3182 -30.8118 1.22184 -31.9895 26.364 24.0877 -0.525802 21.5487 6.35155 TIMING: 2478000 CPU: 7832.27, 0.00317345/step Wall: 7832.27, 0.00317345/step, 2.22318 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2478000 3948.3680 20770.8105 14435.5424 242.5586 -203416.4405 2618.9246 0.0000 0.0000 52172.3526 -109227.8838 299.8352 -161400.2364 -108861.1619 299.7474 226.0380 255.3553 760459.3178 1.8217 1.7991 PRESSURE: 2478200 -31.955 -197.302 81.2504 -197.301 -82.1213 -86.4281 81.25 -86.4288 -341.544 GPRESSURE: 2478200 35.6079 -113.315 109.029 -67.1882 -57.7453 42.1244 203.245 -145.77 -337.891 PRESSAVG: 2478200 -78.1213 -49.3649 -7.56111 -49.3648 57.414 56.9306 -7.5611 56.9306 -7.90012 GPRESSAVG: 2478200 -79.7047 -48.5932 -9.24938 -49.4639 58.0389 57.0882 -8.80238 58.7449 -7.20388 TIMING: 2478200 CPU: 7832.91, 0.00316726/step Wall: 7832.91, 0.00316726/step, 2.21867 hours remaining, 238.613281 MB of memory in use. ENERGY: 2478200 4031.5727 20644.0061 14324.8655 233.1554 -203215.7158 2631.6992 0.0000 0.0000 52197.3576 -109153.0593 299.9789 -161350.4168 -108797.2420 299.9595 -151.8735 -120.0094 761159.6290 -9.5358 -9.6232 PRESSURE: 2478400 -165.627 -31.3324 141.283 -31.3324 -370.753 -226.721 141.283 -226.721 326.533 GPRESSURE: 2478400 -71.2149 -112.779 69.277 -36.1141 -321.695 -312.354 138.286 -239.176 280.185 PRESSAVG: 2478400 3.94391 -49.5567 -27.5721 -49.5567 10.2362 56.7437 -27.5721 56.7437 -12.4464 GPRESSAVG: 2478400 4.67657 -52.6889 -26.5697 -48.1016 10.9778 57.0126 -26.7831 55.0735 -12.9065 TIMING: 2478400 CPU: 7833.54, 0.00316094/step Wall: 7833.54, 0.00316094/step, 2.21407 hours remaining, 238.613281 MB of memory in use. ENERGY: 2478400 3940.1679 20817.9485 14396.3626 235.5485 -202971.9362 2312.4344 0.0000 0.0000 52076.4528 -109193.0215 299.2841 -161269.4743 -108834.9048 299.6265 -69.9490 -37.5750 761823.3410 0.5779 0.9159 PRESSURE: 2478600 -106.517 -103.874 -273.432 -103.873 -53.8014 -9.09898 -273.431 -9.09879 17.5002 GPRESSURE: 2478600 -116.126 -33.1416 -276.076 -66.9508 -4.37752 -40.8861 -125.535 115.214 74.1093 PRESSAVG: 2478600 23.6153 -27.9731 -38.5976 -27.9731 -9.51819 68.4517 -38.5976 68.4517 -0.0409443 GPRESSAVG: 2478600 24.6675 -24.3624 -39.826 -30.7662 -10.7702 66.7015 -36.0615 69.8505 -0.443081 TIMING: 2478600 CPU: 7834.17, 0.00316411/step Wall: 7834.17, 0.00316411/step, 2.21611 hours remaining, 238.613281 MB of memory in use. ENERGY: 2478600 3935.0857 20608.0262 14473.2209 257.9972 -203254.3397 2315.3195 0.0000 0.0000 52292.9576 -109371.7326 300.5283 -161664.6902 -109010.5582 299.8968 -47.6060 -15.4647 759015.0028 4.6854 4.4847 PRESSURE: 2478800 126.978 -43.5825 148.468 -43.5824 -74.6529 -38.9818 148.468 -38.9821 -66.8908 GPRESSURE: 2478800 15.8563 -33.7233 190.537 -25.2291 14.5786 -25.881 14.8188 -100.118 26.3 PRESSAVG: 2478800 6.34527 -25.2693 -11.2788 -25.2693 -6.31904 25.6634 -11.2788 25.6634 0.867054 GPRESSAVG: 2478800 4.27781 -26.0769 -11.7727 -25.1814 -5.26587 26.2982 -12.7019 24.8112 2.17883 TIMING: 2478800 CPU: 7834.8, 0.003151/step Wall: 7834.8, 0.003151/step, 2.20675 hours remaining, 238.613281 MB of memory in use. ENERGY: 2478800 4005.4302 20497.2354 14367.9726 255.1580 -202715.4957 2161.8327 0.0000 0.0000 52024.8413 -109403.0254 298.9875 -161427.8667 -109037.2509 299.2079 -4.8554 18.9116 761212.8488 0.2978 0.3969 PRESSURE: 2479000 98.8398 -46.9346 93.4407 -46.9347 -29.2205 62.9157 93.44 62.9165 79.2982 GPRESSURE: 2479000 180.63 -13.7075 125.763 -179.151 -44.0491 -0.225123 103.465 216.376 70.0073 PRESSAVG: 2479000 -5.95767 -0.173113 -20.6986 -0.17306 15.951 -6.92459 -20.6986 -6.92458 6.31371 GPRESSAVG: 2479000 -3.72549 -0.7777 -19.721 0.882617 14.8345 -5.49784 -23.1565 -7.2672 4.82384 TIMING: 2479000 CPU: 7835.43, 0.0031479/step Wall: 7835.43, 0.0031479/step, 2.2044 hours remaining, 238.613281 MB of memory in use. ENERGY: 2479000 3996.4141 20546.6577 14428.9966 237.8203 -203360.9837 2594.6494 0.0000 0.0000 52281.9635 -109274.4822 300.4652 -161556.4457 -108916.0927 300.1040 49.6391 68.8627 759277.1659 5.4357 5.3109 PRESSURE: 2479200 106.757 67.0371 34.9637 67.0386 279.807 -76.0894 34.9629 -76.0906 335.213 GPRESSURE: 2479200 199.658 18.5328 41.0578 98.3841 266.654 -36.0488 21.2769 -102.814 340.992 PRESSAVG: 2479200 -0.294172 18.962 12.5537 18.962 4.64058 28.5755 12.5537 28.5754 10.582 GPRESSAVG: 2479200 -1.13789 20.1765 13.0437 19.194 4.7533 27.3119 14.7345 27.8505 10.981 TIMING: 2479200 CPU: 7836.07, 0.00317293/step Wall: 7836.07, 0.00317293/step, 2.22176 hours remaining, 238.613281 MB of memory in use. ENERGY: 2479200 3947.7434 20576.0445 14445.4529 258.3279 -203310.7648 2599.0998 0.0000 0.0000 52230.5819 -109253.5145 300.1699 -161484.0963 -108885.9443 300.0018 240.5926 269.1016 760870.9786 4.9761 4.8655 PRESSURE: 2479400 -310.802 -173.835 79.0017 -173.835 -105.845 -150.913 79.0012 -150.913 -26.6596 GPRESSURE: 2479400 -144.58 -220.536 110.11 -263.624 -120.563 -91.4003 8.99283 -38.0167 -80.941 PRESSAVG: 2479400 19.9926 18.0898 40.0173 18.0898 8.76775 29.5826 40.0173 29.5827 4.22741 GPRESSAVG: 2479400 19.8298 16.085 41.0892 17.3398 7.4055 29.1056 38.2062 30.7642 5.36593 TIMING: 2479400 CPU: 7836.7, 0.00315736/step Wall: 7836.7, 0.00315736/step, 2.21068 hours remaining, 238.613281 MB of memory in use. ENERGY: 2479400 3987.2923 20563.9579 14427.0732 265.4329 -203136.9323 2395.5866 0.0000 0.0000 52239.6602 -109257.9292 300.2220 -161497.5894 -108900.2971 299.9919 -147.7689 -115.3615 761063.3892 10.9959 10.8671 PRESSURE: 2479600 -58.2559 -224.31 -247.988 -224.31 58.845 -0.328631 -247.987 -0.329307 1.06506 GPRESSURE: 2479600 -10.0275 -114.805 -155.309 -222.295 138.671 -32.9946 -334.348 -44.696 -48.8845 PRESSAVG: 2479600 -53.6618 -58.4668 33.1331 -58.4666 43.8969 -17.7796 33.1331 -17.7796 5.21397 GPRESSAVG: 2479600 -53.92 -54.5219 33.2116 -58.8488 44.7114 -17.6093 33.1185 -18.9434 5.09645 TIMING: 2479600 CPU: 7837.33, 0.00318061/step Wall: 7837.33, 0.00318061/step, 2.22678 hours remaining, 238.613281 MB of memory in use. ENERGY: 2479600 3993.3435 20737.9714 14439.5862 246.4674 -203318.7333 2507.9880 0.0000 0.0000 52089.0457 -109304.3312 299.3565 -161393.3768 -108942.5054 299.8279 0.5514 26.5862 761817.7661 -1.5170 -1.3707 PRESSURE: 2479800 -122.937 -70.626 86.0528 -70.6255 34.1908 -90.4549 86.0532 -90.4541 138.17 GPRESSURE: 2479800 -89.7567 -83.4477 74.8451 -19.7536 129.744 -100.218 -46.0595 -140.077 85.7529 PRESSAVG: 2479800 -52.7646 -44.4386 -53.0914 -44.4386 20.7779 -19.0695 -53.0914 -19.0694 -4.61816 GPRESSAVG: 2479800 -51.0816 -49.0683 -54.154 -41.5652 20.6761 -19.1699 -52.2026 -19.0265 -5.99468 TIMING: 2479800 CPU: 7837.97, 0.00318151/step Wall: 7837.97, 0.00318151/step, 2.22723 hours remaining, 238.613281 MB of memory in use. ENERGY: 2479800 3939.4649 20576.4281 14447.4671 240.7454 -203703.2375 2920.9175 0.0000 0.0000 52267.4673 -109310.7473 300.3819 -161578.2146 -108933.6464 299.4054 16.4746 41.9133 763081.5555 -12.2016 -12.1334 PRESSURE: 2480000 101.234 -66.5994 53.6859 -66.5992 -43.505 -99.7074 53.6866 -99.7074 -259.345 GPRESSURE: 2480000 210.982 -58.0099 111.217 -19.7199 -69.4724 -156.97 184.716 -54.9033 -252.9 PRESSAVG: 2480000 1.10008 -60.3441 -1.58632 -60.3441 13.4855 4.67984 -1.5863 4.67981 7.46476 GPRESSAVG: 2480000 -0.469573 -58.4449 -1.20536 -62.5223 13.4639 5.62051 -2.61875 4.64991 8.83814 TIMING: 2480000 CPU: 7838.6, 0.00317861/step Wall: 7838.6, 0.00317861/step, 2.22503 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2480000 4013.9298 20536.2871 14524.5879 239.0646 -203248.9748 2578.8123 0.0000 0.0000 52053.4050 -109302.8881 299.1516 -161356.2931 -108936.3148 299.9793 -67.2053 -37.1302 761424.8272 7.3501 7.2775 PRESSURE: 2480200 -4.80432 -132.135 -13.0665 -132.136 2.6799 219.138 -13.0651 219.137 -131.916 GPRESSURE: 2480200 -37.0766 -127.225 6.32513 -53.6788 110.016 232.706 22.1731 217.746 -111.196 PRESSAVG: 2480200 26.2591 -51.6528 -0.63371 -51.6528 -21.2493 -6.28066 -0.63375 -6.28067 4.54256 GPRESSAVG: 2480200 27.4139 -53.1666 -0.757254 -48.9122 -20.1931 -6.70451 2.07177 -7.44442 3.07574 TIMING: 2480200 CPU: 7839.24, 0.00317876/step Wall: 7839.24, 0.00317876/step, 2.22496 hours remaining, 238.613281 MB of memory in use. ENERGY: 2480200 4033.8604 20650.6531 14452.9155 243.0945 -203408.8319 2618.8769 0.0000 0.0000 52098.6466 -109310.7849 299.4116 -161409.4315 -108947.2633 299.5069 -44.6800 -12.7522 761837.8961 3.1841 3.4322 LDB: ============= START OF LOAD BALANCING ============== 7851.64 LDB: ============== END OF LOAD BALANCING =============== 7851.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.64 LDB: ============= START OF LOAD BALANCING ============== 7851.97 LDB: Largest compute 7060 load 0.036039 is 18.4% of average load 0.195901 LDB: Average compute 0.004414 is 2.3% of average load 0.195901 LDB: TIME 7851.97 LOAD: AVG 0.195901 MAX 0.220099 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.48 MB LDB: TIME 7851.97 LOAD: AVG 0.195901 MAX 0.220099 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: TIME 7851.97 LOAD: AVG 0.195901 MAX 0.21849 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: ============== END OF LOAD BALANCING =============== 7851.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.98 PRESSURE: 2480400 -477.341 -92.2402 -207.542 -92.2408 -143.249 215.064 -207.542 215.064 142.237 GPRESSURE: 2480400 -393.051 -93.363 -226.979 -124.841 -90.4768 246.461 -111.224 131.625 83.906 PRESSAVG: 2480400 9.5869 -5.69601 5.76913 -5.69602 6.17742 -27.2567 5.76911 -27.2567 -9.45673 GPRESSAVG: 2480400 8.49952 -4.1437 4.09948 -5.90613 5.8947 -26.6929 6.67131 -26.9013 -8.40443 TIMING: 2480400 CPU: 7839.89, 0.00326879/step Wall: 7839.89, 0.00326879/step, 2.28779 hours remaining, 237.843750 MB of memory in use. ENERGY: 2480400 4047.4753 20673.1921 14392.5032 253.9065 -203866.5228 2714.2251 0.0000 0.0000 52314.4475 -109470.7730 300.6518 -161785.2205 -109106.8521 300.2271 -159.4512 -133.2073 760630.2810 2.1025 1.9966 PRESSURE: 2480600 30.5587 -146.432 150.167 -146.433 165.165 -17.811 150.167 -17.8114 -1.322 GPRESSURE: 2480600 121.066 3.54196 41.2633 -86.0971 96.9023 19.2578 190.388 -3.19606 67.9419 PRESSAVG: 2480600 -31.9865 -66.9586 -14.7148 -66.9586 53.5363 34.0525 -14.7147 34.0525 10.8578 GPRESSAVG: 2480600 -30.5606 -67.1475 -13.1059 -67.8009 52.9408 32.6141 -15.545 36.2126 10.7037 TIMING: 2480600 CPU: 7840.53, 0.00315901/step Wall: 7840.53, 0.00315901/step, 2.21078 hours remaining, 238.046875 MB of memory in use. ENERGY: 2480600 3941.7085 20581.7151 14357.9017 268.1687 -203452.0533 2583.7590 0.0000 0.0000 51943.9729 -109774.8274 298.5227 -161718.8003 -109413.5663 299.2325 64.8006 95.3033 761179.1957 10.8025 11.0280 PRESSURE: 2480800 -75.7703 -21.4328 193.636 -21.4328 30.3135 -104.199 193.637 -104.198 346.769 GPRESSURE: 2480800 12.3917 -75.9342 197.763 -204.472 18.949 -132.394 86.8607 -70.5149 349.72 PRESSAVG: 2480800 17.5004 -63.104 -3.63902 -63.104 -57.7292 -5.89055 -3.63901 -5.89063 -16.0055 GPRESSAVG: 2480800 16.8962 -62.1996 -3.81022 -62.5905 -58.2474 -5.18411 -5.11204 -5.8201 -15.0966 TIMING: 2480800 CPU: 7841.16, 0.00317564/step Wall: 7841.16, 0.00317564/step, 2.22224 hours remaining, 238.046875 MB of memory in use. ENERGY: 2480800 4025.4713 20513.0551 14374.0653 228.1216 -203786.7584 2758.1325 0.0000 0.0000 52077.8477 -109810.0648 299.2921 -161887.9125 -109451.3984 298.9671 100.4374 127.0201 762427.5389 -18.7448 -18.8159 PRESSURE: 2481000 -33.1482 -227.018 56.1142 -227.018 142.507 -50.7716 56.1157 -50.7715 -149.137 GPRESSURE: 2481000 20.9529 -110.079 92.9723 -158.661 159.631 -29.6634 47.7668 -96.4919 -137.204 PRESSAVG: 2481000 36.1383 -18.4602 0.505413 -18.4602 -8.27224 -1.42958 0.505414 -1.42958 -14.4436 GPRESSAVG: 2481000 36.3886 -19.7586 0.330692 -14.8532 -9.4189 -1.28013 -0.397737 -3.60107 -13.9124 TIMING: 2481000 CPU: 7841.8, 0.00317997/step Wall: 7841.8, 0.00317997/step, 2.22509 hours remaining, 238.046875 MB of memory in use. ENERGY: 2481000 3977.3225 20536.7775 14435.1201 235.3715 -203671.0632 2865.4162 0.0000 0.0000 51805.3424 -109815.7130 297.7260 -161621.0554 -109456.5339 298.9844 -13.2596 14.4599 762786.6413 4.4741 4.3525 PRESSURE: 2481200 425.205 61.3055 -72.8021 61.3052 -19.5444 129.96 -72.802 129.962 -311.065 GPRESSURE: 2481200 334 105.843 -128.175 68.8024 56.1553 179.038 -45.0255 100.315 -226.468 PRESSAVG: 2481200 20.7731 -48.1585 -21.3898 -48.1585 -21.1067 -42.2209 -21.3898 -42.2209 14.8164 GPRESSAVG: 2481200 19.7516 -47.7828 -21.8069 -49.7136 -19.5464 -42.3499 -20.3584 -41.3192 13.8151 TIMING: 2481200 CPU: 7842.43, 0.00317987/step Wall: 7842.43, 0.00317987/step, 2.22485 hours remaining, 238.046875 MB of memory in use. ENERGY: 2481200 3972.3107 20684.6003 14430.1003 252.7059 -203803.5587 2729.8222 0.0000 0.0000 51926.5142 -109807.5050 298.4224 -161734.0192 -109434.7611 298.9178 31.5319 54.5625 760589.7482 4.8276 4.6734 PRESSURE: 2481400 -164.763 20.3314 -164.537 20.3312 -135.914 -353.797 -164.537 -353.797 110.172 GPRESSURE: 2481400 -204.29 28.9205 -231.931 98.6486 -92.0163 -378.844 -62.1417 -255.131 167.032 PRESSAVG: 2481400 -9.98694 -111.534 -41.8523 -111.534 26.8962 52.7045 -41.8523 52.7045 19.0728 GPRESSAVG: 2481400 -11.6299 -111.462 -41.8261 -114.415 27.3556 52.4039 -42.5704 52.296 19.9572 TIMING: 2481400 CPU: 7843.07, 0.0031966/step Wall: 7843.07, 0.0031966/step, 2.23638 hours remaining, 238.046875 MB of memory in use. ENERGY: 2481400 3987.7132 20533.9706 14414.7606 242.0987 -203740.3449 2726.7318 0.0000 0.0000 52262.2095 -109572.8605 300.3516 -161835.0699 -109205.9304 299.0724 -63.5017 -43.0913 762229.2685 11.9940 11.8943 PRESSURE: 2481600 -49.8949 -24.8604 -8.82564 -24.8596 -196.44 48.8807 -8.82574 48.8807 118.48 GPRESSURE: 2481600 39.338 23.8107 55.0511 -45.3807 -181.953 45.7958 -38.2513 89.4601 84.7822 PRESSAVG: 2481600 -28.038 -21.9888 26.1003 -21.9888 -11.1104 -41.4139 26.1003 -41.414 -29.3247 GPRESSAVG: 2481600 -25.8957 -21.729 25.55 -20.5577 -11.9991 -40.914 27.5238 -39.6365 -30.7993 TIMING: 2481600 CPU: 7843.71, 0.00319884/step Wall: 7843.71, 0.00319884/step, 2.23776 hours remaining, 238.046875 MB of memory in use. ENERGY: 2481600 4010.2698 20479.0105 14424.0474 251.9691 -203474.1573 2638.9490 0.0000 0.0000 52084.7239 -109585.1876 299.3316 -161669.9115 -109222.6997 299.5293 -42.6183 -19.2777 762034.8187 -22.8244 -22.8980 PRESSURE: 2481800 -296.795 267.225 77.5501 267.226 228.418 169.814 77.5509 169.813 -51.3719 GPRESSURE: 2481800 -190.699 235.425 35.6753 169.262 186.709 207.916 68.0537 233.411 -23.9091 PRESSAVG: 2481800 -121.705 -23.8373 42.8827 -23.8373 120.347 -14.0763 42.8827 -14.0763 -21.6336 GPRESSAVG: 2481800 -122.361 -25.0368 43.1601 -23.2918 120.661 -13.4108 40.8193 -13.2349 -20.8843 TIMING: 2481800 CPU: 7844.35, 0.00317923/step Wall: 7844.35, 0.00317923/step, 2.22387 hours remaining, 238.046875 MB of memory in use. ENERGY: 2481800 3964.5991 20596.3961 14379.3233 266.3448 -203756.1712 2734.3326 0.0000 0.0000 52070.2565 -109744.9188 299.2485 -161815.1753 -109397.4890 299.4093 -39.9161 -9.2996 760668.2345 -7.6639 -7.5279 PRESSURE: 2482000 514.897 -3.65609 323.304 -3.65633 261.543 -148.219 323.304 -148.219 251.338 GPRESSURE: 2482000 474.933 -129.813 317.853 26.196 325.217 -137.052 422.438 -25.9979 293.091 PRESSAVG: 2482000 -30.346 -38.3426 -39.2437 -38.3426 39.4906 -11.8472 -39.2438 -11.8472 31.7789 GPRESSAVG: 2482000 -31.1547 -37.2645 -38.1903 -40.1273 40.4442 -13.6591 -40.1068 -13.4073 30.6729 TIMING: 2482000 CPU: 7844.99, 0.00319485/step Wall: 7844.99, 0.00319484/step, 2.23462 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2482000 3938.4933 20572.0425 14413.2355 238.9984 -204144.2907 3089.4697 0.0000 0.0000 51984.1652 -109907.8861 298.7537 -161892.0513 -109538.5262 298.9401 342.5927 364.4137 760822.1861 13.6412 13.3208 PRESSURE: 2482200 -386.185 -32.2259 -106.781 -32.2258 -217.849 -89.1459 -106.781 -89.1452 -159.929 GPRESSURE: 2482200 -338.746 22.2255 -142.925 -12.2128 -201.497 -126.193 -157.153 -107.165 -146.608 PRESSAVG: 2482200 76.9839 3.24716 -37.177 3.24705 -43.729 -18.9979 -37.177 -18.9979 -13.6757 GPRESSAVG: 2482200 77.6709 1.62403 -37.5491 6.62752 -44.8082 -19.3406 -33.9859 -17.8483 -13.423 TIMING: 2482200 CPU: 7845.62, 0.00318618/step Wall: 7845.62, 0.00318618/step, 2.22838 hours remaining, 238.046875 MB of memory in use. ENERGY: 2482200 4056.7556 20685.5094 14356.3592 252.0603 -203925.3627 2768.0118 0.0000 0.0000 51735.3688 -110071.2976 297.3239 -161806.6664 -109710.5961 298.6123 -254.6545 -228.9501 762302.9278 6.5264 6.4799 PRESSURE: 2482400 82.1185 76.326 -16.1293 76.3264 427.177 -231.325 -16.1291 -231.325 88.4009 GPRESSURE: 2482400 117.892 88.3119 -83.7202 100.237 407.294 -99.9716 15.6467 -256.496 137.536 PRESSAVG: 2482400 -8.3689 -11.9471 -10.3773 -11.9471 22.5663 37.0203 -10.3773 37.0203 -2.73146 GPRESSAVG: 2482400 -9.49176 -10.9598 -10.514 -12.6391 22.2772 37.6776 -10.7619 37.0055 -1.69269 TIMING: 2482400 CPU: 7846.26, 0.00316498/step Wall: 7846.26, 0.00316498/step, 2.21338 hours remaining, 238.046875 MB of memory in use. ENERGY: 2482400 3996.0831 20603.6983 14420.3972 238.8942 -204224.0134 3021.8413 0.0000 0.0000 52048.0462 -109895.0530 299.1208 -161943.0993 -109547.6595 299.0137 199.2322 220.9076 759540.2228 3.8220 3.6976 PRESSURE: 2482600 -478.862 -142.636 202.863 -142.637 -239.929 25.6368 202.863 25.6366 -288.621 GPRESSURE: 2482600 -374.16 -143.293 204.888 -192.855 -289.308 -27.2625 192.318 38.9131 -259.432 PRESSAVG: 2482600 -26.2289 -55.8481 50.4787 -55.8481 28.1132 -17.2711 50.4787 -17.2711 4.86482 GPRESSAVG: 2482600 -25.5575 -57.5605 50.3064 -55.2481 27.2272 -16.4423 49.7867 -18.2134 4.31444 TIMING: 2482600 CPU: 7846.89, 0.00316525/step Wall: 7846.89, 0.00316525/step, 2.21339 hours remaining, 238.046875 MB of memory in use. ENERGY: 2482600 4080.7304 20478.4639 14387.2423 241.6177 -203122.1857 2252.2813 0.0000 0.0000 52029.9043 -109651.9458 299.0166 -161681.8501 -109296.0804 299.1279 -335.8040 -307.6331 762511.0073 2.2497 1.9947 PRESSURE: 2482800 -441.16 130.021 -115.556 130.021 -453.579 60.0895 -115.556 60.0887 -106.493 GPRESSURE: 2482800 -412.368 188.233 -110.474 164.538 -427.832 -73.9719 -65.7659 85.7111 -66.9022 PRESSAVG: 2482800 19.6285 -76.9934 -19.0651 -76.9934 -25.7546 6.00064 -19.065 6.0007 -1.684 GPRESSAVG: 2482800 19.8218 -75.3655 -20.5941 -78.3628 -24.6651 4.27662 -18.1601 6.75304 -2.81017 TIMING: 2482800 CPU: 7847.52, 0.00317014/step Wall: 7847.52, 0.00317014/step, 2.21664 hours remaining, 238.046875 MB of memory in use. ENERGY: 2482800 4067.4385 20604.3431 14431.4314 251.3562 -203596.2528 2630.1469 0.0000 0.0000 51967.5653 -109643.9714 298.6583 -161611.5367 -109283.6507 299.3249 -333.7439 -302.3672 762555.9016 -2.6033 -2.5511 PRESSURE: 2483000 48.5058 -19.9846 -20.4295 -19.9844 211.343 -111.755 -20.4309 -111.756 200.08 GPRESSURE: 2483000 82.8254 -154.984 -65.5858 -15.968 214.83 -118.658 17.7912 -31.106 226.684 PRESSAVG: 2483000 37.2934 -9.8256 33.1061 -9.82559 -14.8653 -14.5059 33.1061 -14.5059 -6.11185 GPRESSAVG: 2483000 36.591 -8.46194 35.343 -10.8065 -15.6457 -13.8079 33.5577 -15.8357 -4.25126 TIMING: 2483000 CPU: 7848.16, 0.00318008/step Wall: 7848.16, 0.00318007/step, 2.2234 hours remaining, 238.046875 MB of memory in use. ENERGY: 2483000 4003.7412 20478.8429 14355.4330 253.1150 -203870.7723 2909.6822 0.0000 0.0000 52334.4035 -109535.5544 300.7665 -161869.9579 -109169.6393 299.2888 153.3096 174.7798 760701.5485 5.4388 5.5647 PRESSURE: 2483200 262.468 90.4615 126.627 90.4616 -307.344 -110.094 126.627 -110.095 -288.683 GPRESSURE: 2483200 233.68 42.1835 116.7 -27.7211 -274.991 -83.8444 184.724 -143.581 -221.328 PRESSAVG: 2483200 -21.8771 -71.2005 3.3337 -71.2006 18.6598 13.9161 3.33365 13.916 12.2177 GPRESSAVG: 2483200 -22.3848 -70.9398 3.72619 -71.7798 18.2703 14.2789 3.12148 16.8548 12.9625 TIMING: 2483200 CPU: 7848.8, 0.00318166/step Wall: 7848.8, 0.00318166/step, 2.22434 hours remaining, 238.046875 MB of memory in use. ENERGY: 2483200 3969.0381 20500.0456 14329.9216 235.6248 -203895.7341 2924.4234 0.0000 0.0000 52289.7687 -109646.9120 300.5100 -161936.6807 -109281.2694 299.1556 -111.1865 -87.5463 761776.3647 3.0001 2.9494 PRESSURE: 2483400 -98.0939 -180.201 -9.93494 -180.201 -367.127 212.926 -9.9349 212.927 -103.156 GPRESSURE: 2483400 -33.0639 -225.604 12.135 -139.667 -352.71 286.614 -47.9345 138.19 -72.9672 PRESSAVG: 2483400 44.8268 -99.5352 -25.2388 -99.5352 -37.7613 3.59543 -25.2388 3.59539 0.253753 GPRESSAVG: 2483400 45.8556 -101.03 -24.5786 -98.3534 -37.7522 3.12487 -27.5776 2.51001 -0.901857 TIMING: 2483400 CPU: 7849.44, 0.00319866/step Wall: 7849.44, 0.00319866/step, 2.23604 hours remaining, 238.046875 MB of memory in use. ENERGY: 2483400 4021.0225 20714.5891 14365.1718 250.0313 -203633.1707 2658.0413 0.0000 0.0000 52002.3376 -109621.9772 298.8581 -161624.3147 -109266.9961 299.2069 -189.4588 -152.9138 762355.9699 2.4397 2.4005 PRESSURE: 2483600 372.393 -101.155 -131.812 -101.154 -119.213 56.7702 -131.812 56.7713 81.055 GPRESSURE: 2483600 312.738 -33.46 -189.622 -184.428 -104.837 62.8886 -206.386 -19.7998 205.563 PRESSAVG: 2483600 88.6405 -63.4781 -41.8698 -63.4781 -77.3382 7.46222 -41.8698 7.4622 14.1539 GPRESSAVG: 2483600 87.8282 -61.8895 -42.1984 -64.4013 -76.846 6.27812 -41.4602 5.98036 13.8693 TIMING: 2483600 CPU: 7850.07, 0.00317678/step Wall: 7850.07, 0.00317678/step, 2.22057 hours remaining, 238.046875 MB of memory in use. ENERGY: 2483600 4001.4819 20693.5679 14377.4741 258.6192 -203732.7303 2870.3664 0.0000 0.0000 51880.1890 -109651.0319 298.1562 -161531.2209 -109300.0029 299.5098 111.4118 137.8211 762832.8613 8.4854 8.2838 PRESSURE: 2483800 -164.876 181.594 228.836 181.593 -265.375 94.5805 228.835 94.5793 -171.484 GPRESSURE: 2483800 -133.984 163.439 208.524 71.08 -173.266 72.4108 232.394 103.255 -229.104 PRESSAVG: 2483800 9.38857 -50.814 -25.8299 -50.8139 21.7783 46.9492 -25.8299 46.9492 1.3501 GPRESSAVG: 2483800 11.134 -50.9149 -26.2124 -49.9271 20.9712 48.0389 -25.7227 47.0183 0.736542 TIMING: 2483800 CPU: 7850.71, 0.00319217/step Wall: 7850.71, 0.00319217/step, 2.23115 hours remaining, 238.046875 MB of memory in use. ENERGY: 2483800 4014.8867 20469.8221 14397.5623 238.0272 -203889.5636 2869.9971 0.0000 0.0000 52230.7213 -109668.5469 300.1707 -161899.2682 -109313.2065 299.1961 -200.5781 -178.7848 762165.1641 10.8390 10.9472 PRESSURE: 2484000 -389.383 -189.327 -173.224 -189.329 -112.054 -69.6741 -173.223 -69.6746 249.543 GPRESSURE: 2484000 -439.172 -271.93 -139.727 -89.0189 14.3352 -126.874 -75.6636 -98.841 257.563 PRESSAVG: 2484000 -2.53787 -100.816 -13.3265 -100.816 -30.3537 -27.6891 -13.3265 -27.689 -7.81361 GPRESSAVG: 2484000 -3.74157 -102.318 -14.3316 -100.543 -29.1114 -28.1173 -11.4944 -30.1811 -8.28453 TIMING: 2484000 CPU: 7851.34, 0.00316963/step Wall: 7851.34, 0.00316963/step, 2.21522 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2484000 3990.5495 20472.0306 14457.0116 255.2605 -203244.1471 2464.9169 0.0000 0.0000 51993.4473 -109610.9307 298.8071 -161604.3780 -109243.4346 298.9420 -83.9644 -55.7581 761620.1004 -13.5684 -13.7125 PRESSURE: 2484200 -262.492 14.7263 140.718 14.7268 -134.647 -117.669 140.718 -117.668 -210.258 GPRESSURE: 2484200 -226.645 -25.5216 129.332 -80.7304 -93.504 -142.593 136.241 -180.088 -196.895 PRESSAVG: 2484200 14.8166 -38.6725 35.4119 -38.6725 -56.4152 -32.9983 35.4119 -32.9984 22.632 GPRESSAVG: 2484200 13.8552 -38.5155 33.8841 -37.3229 -57.2781 -32.3577 35.0271 -30.2402 24.5066 TIMING: 2484200 CPU: 7851.98, 0.00317946/step Wall: 7851.98, 0.00317946/step, 2.22191 hours remaining, 238.046875 MB of memory in use. ENERGY: 2484200 3895.8051 20452.2877 14387.4427 244.7393 -202776.8563 2126.8718 0.0000 0.0000 52089.8747 -109579.8351 299.3612 -161669.7098 -109212.5837 299.2431 -202.4657 -172.3480 761342.7064 -6.3222 -6.3055 LDB: ============= START OF LOAD BALANCING ============== 7864.38 LDB: ============== END OF LOAD BALANCING =============== 7864.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7864.38 LDB: ============= START OF LOAD BALANCING ============== 7864.7 LDB: Largest compute 7075 load 0.037126 is 18.9% of average load 0.196029 LDB: Average compute 0.004392 is 2.2% of average load 0.196029 LDB: TIME 7864.7 LOAD: AVG 0.196029 MAX 0.215111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7864.7 LOAD: AVG 0.196029 MAX 0.215111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 7864.7 LOAD: AVG 0.196029 MAX 0.215111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 7864.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7864.71 PRESSURE: 2484400 -102.815 -42.6981 7.7431 -42.6979 -90.2685 182.212 7.74234 182.212 -254.434 GPRESSURE: 2484400 -118.863 -96.7633 6.48301 -60.6536 0.759121 188.854 7.33179 218.44 -257.462 PRESSAVG: 2484400 58.7578 -70.1404 5.29725 -70.1404 -46.385 20.2576 5.29728 20.2576 -7.21558 GPRESSAVG: 2484400 59.1889 -68.8541 7.32707 -72.6565 -45.0652 19.1451 4.32772 20.4886 -8.63239 TIMING: 2484400 CPU: 7852.63, 0.00324441/step Wall: 7852.63, 0.00324441/step, 2.26712 hours remaining, 237.843750 MB of memory in use. ENERGY: 2484400 4017.6709 20569.8617 14413.8324 252.7555 -203256.2371 2460.5590 0.0000 0.0000 51931.2628 -109610.2949 298.4497 -161541.5577 -109256.8317 298.7322 -149.1723 -125.1888 762368.3904 1.7191 1.8304 PRESSURE: 2484600 -369.637 -78.5802 93.6254 -78.5796 -340.422 -110.599 93.625 -110.598 24.3264 GPRESSURE: 2484600 -315.969 -100.69 140.698 -49.2798 -361.103 -93.5111 203.005 -185.329 67.5942 PRESSAVG: 2484600 44.5865 -64.0929 4.85189 -64.0929 -67.0796 -24.2798 4.85191 -24.2797 -11.2061 GPRESSAVG: 2484600 45.015 -63.9727 5.6904 -62.8333 -67.4803 -23.3257 4.55738 -26.0636 -11.5249 TIMING: 2484600 CPU: 7853.27, 0.0031868/step Wall: 7853.27, 0.0031868/step, 2.22669 hours remaining, 238.046875 MB of memory in use. ENERGY: 2484600 4068.0594 20495.4924 14460.8275 243.0737 -203161.4147 2420.0228 0.0000 0.0000 51878.1884 -109595.7504 298.1447 -161473.9388 -109240.2672 298.8376 -228.5775 -203.1591 762201.3033 -11.2331 -11.3301 PRESSURE: 2484800 -23.657 -155.066 68.0817 -155.065 -136.066 60.4232 68.0819 60.4228 -166.581 GPRESSURE: 2484800 105.535 -140.185 10.5954 -232.882 -129.893 -0.0937437 150.329 187.985 -212.249 PRESSAVG: 2484800 69.2589 -72.8529 25.645 -72.853 -38.0882 -53.3607 25.645 -53.3607 -0.799459 GPRESSAVG: 2484800 68.9115 -72.4749 25.401 -73.9963 -38.9985 -53.1173 24.7064 -52.2888 0.491237 TIMING: 2484800 CPU: 7853.9, 0.00316014/step Wall: 7853.9, 0.00316014/step, 2.20788 hours remaining, 238.046875 MB of memory in use. ENERGY: 2484800 4002.3592 20542.9572 14454.9822 244.9687 -203578.3319 2821.0421 0.0000 0.0000 52005.1038 -109506.9187 298.8740 -161512.0225 -109147.7870 299.2310 -108.7681 -78.8686 761303.7723 10.1238 10.1348 PRESSURE: 2485000 7.05912 39.2293 -114.071 39.2293 -19.6586 189.834 -114.071 189.833 -375.358 GPRESSURE: 2485000 78.6185 -32.203 -62.768 5.56609 -110.912 197.009 -23.1963 178.469 -278.964 PRESSAVG: 2485000 126.134 -32.0387 23.3689 -32.0386 -122.138 11.9128 23.3689 11.9128 -43.1879 GPRESSAVG: 2485000 127.309 -33.6304 21.4844 -31.8944 -122.18 10.7118 26.3528 12.035 -43.9535 TIMING: 2485000 CPU: 7854.53, 0.00317009/step Wall: 7854.53, 0.00317009/step, 2.21466 hours remaining, 238.046875 MB of memory in use. ENERGY: 2485000 3958.2103 20487.6584 14440.5373 261.5715 -203173.8300 2460.6723 0.0000 0.0000 52028.4445 -109536.7356 299.0082 -161565.1802 -109170.7092 299.4886 -129.3191 -103.7525 760893.2243 -13.0642 -12.9413 PRESSURE: 2485200 116.961 -88.9066 48.7958 -88.9069 96.0354 -84.6808 48.7952 -84.679 118.152 GPRESSURE: 2485200 87.2883 15.0317 193.263 -154.233 178.577 -54.4464 -28.8745 -67.0959 127.575 PRESSAVG: 2485200 15.7083 24.1874 49.4218 24.1874 0.664166 -8.38821 49.4219 -8.38823 14.0413 GPRESSAVG: 2485200 15.8729 24.7264 51.721 25.5414 -0.110148 -7.5804 46.8905 -8.83358 14.3517 TIMING: 2485200 CPU: 7855.16, 0.00316206/step Wall: 7855.16, 0.00316206/step, 2.20887 hours remaining, 238.046875 MB of memory in use. ENERGY: 2485200 3964.8426 20502.1433 14465.2348 245.5405 -203590.1969 2775.1256 0.0000 0.0000 52108.0722 -109529.2379 299.4658 -161637.3100 -109167.4172 299.3335 110.3830 131.1469 759133.3085 10.1379 10.0381 PRESSURE: 2485400 266.307 -107.404 -152.086 -107.403 -232.146 128.23 -152.086 128.231 -325.751 GPRESSURE: 2485400 284.545 -238.909 -127.661 -156.127 -173.39 130.83 -139.668 98.7665 -326.366 PRESSAVG: 2485400 41.1938 -23.8521 19.3923 -23.852 -62.6506 11.3466 19.3923 11.3465 -10.323 GPRESSAVG: 2485400 39.5565 -23.6981 19.1024 -27.6133 -61.266 11.1486 21.6352 10.3492 -10.1369 TIMING: 2485400 CPU: 7855.8, 0.00316585/step Wall: 7855.8, 0.00316585/step, 2.21135 hours remaining, 238.046875 MB of memory in use. ENERGY: 2485400 3939.5306 20485.2672 14400.8150 232.7005 -203151.6496 2594.3480 0.0000 0.0000 52107.0049 -109391.9834 299.4597 -161498.9882 -109030.1907 299.4255 -97.1967 -71.7370 761678.2768 -10.5933 -10.6155 PRESSURE: 2485600 -212.041 48.949 -78.7423 48.9489 -348.608 -72.332 -78.7419 -72.3322 -100.296 GPRESSURE: 2485600 -132.622 93.0449 -81.239 101.041 -327.965 -73.7128 -149.952 5.05076 -127.425 PRESSAVG: 2485600 95.1072 -24.1762 3.34932 -24.1762 -83.2284 -14.7956 3.34929 -14.7955 17.2443 GPRESSAVG: 2485600 96.1388 -22.9093 1.34828 -22.4598 -83.3158 -14.1145 3.43595 -13.8645 16.7173 TIMING: 2485600 CPU: 7856.43, 0.00315409/step Wall: 7856.43, 0.00315409/step, 2.20295 hours remaining, 238.046875 MB of memory in use. ENERGY: 2485600 4017.0123 20491.9787 14392.5360 244.6478 -203167.6355 2442.9464 0.0000 0.0000 52115.2813 -109463.2331 299.5072 -161578.5144 -109100.5163 299.5891 -220.3149 -196.0040 761495.1977 9.7077 9.8468 PRESSURE: 2485800 -17.273 109.562 71.807 109.562 -5.32864 -76.044 71.8069 -76.0438 253.596 GPRESSURE: 2485800 -32.0904 11.9256 51.3204 157.525 -1.51459 -98.5241 137.067 -66.5721 329.725 PRESSAVG: 2485800 48.607 -4.86564 45.3711 -4.86557 -21.4323 -4.20772 45.3711 -4.20771 6.04154 GPRESSAVG: 2485800 47.6533 -8.62411 46.6845 -4.32208 -21.897 -3.23052 44.5946 -5.47535 7.01051 TIMING: 2485800 CPU: 7857.06, 0.00316694/step Wall: 7857.06, 0.00316694/step, 2.21176 hours remaining, 238.046875 MB of memory in use. ENERGY: 2485800 3854.6586 20521.6574 14368.2613 257.2397 -203006.6458 2657.2399 0.0000 0.0000 51959.9410 -109387.6479 298.6145 -161347.5889 -109015.6300 299.1034 76.9982 98.7066 760866.3540 11.0721 10.9223 PRESSURE: 2486000 -32.6935 55.5215 -41.5242 55.5217 -17.2128 96.1242 -41.5246 96.1238 -396.859 GPRESSURE: 2486000 -25.2141 -75.4787 -100.219 101.251 36.6887 80.2145 -40.2042 171.314 -353.668 PRESSAVG: 2486000 -11.3389 1.92345 11.4645 1.92348 -11.4672 21.3878 11.4645 21.3879 -29.596 GPRESSAVG: 2486000 -10.2431 3.13908 10.5258 0.759919 -12.4294 20.4949 11.1819 22.8399 -29.5838 TIMING: 2486000 CPU: 7857.7, 0.00317057/step Wall: 7857.7, 0.00317057/step, 2.21411 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2486000 3991.6116 20362.3572 14477.4166 244.4600 -203041.0865 2446.9874 0.0000 0.0000 52278.8606 -109239.3930 300.4473 -161518.2537 -108862.3305 299.1176 -148.9218 -114.0644 761733.5353 -17.4674 -17.4188 PRESSURE: 2486200 -125.878 227.723 -223.684 227.722 202.434 228.302 -223.683 228.302 -377.264 GPRESSURE: 2486200 -123.232 149.837 -185.878 185.358 221.507 237.853 -182.046 -29.6247 -327.88 PRESSAVG: 2486200 -19.5047 -7.33771 4.18535 -7.33765 11.2127 22.8874 4.18532 22.8874 -11.1196 GPRESSAVG: 2486200 -19.8225 -5.70684 3.67795 -6.58274 11.3741 21.4553 5.76803 23.7214 -10.9803 TIMING: 2486200 CPU: 7858.33, 0.00316621/step Wall: 7858.33, 0.00316621/step, 2.2109 hours remaining, 238.046875 MB of memory in use. ENERGY: 2486200 3993.7417 20590.9485 14375.3123 254.4573 -203048.3059 2448.2026 0.0000 0.0000 51969.9423 -109415.7011 298.6720 -161385.6434 -109047.7276 299.8663 -100.2359 -76.5350 761887.9959 -6.4705 -6.4763 PRESSURE: 2486400 65.7132 -14.8093 -80.0174 -14.8087 -23.3591 -20.9493 -80.0167 -20.9494 -274.704 GPRESSURE: 2486400 77.006 108.862 11.522 -55.4494 34.8004 3.4163 15.7025 -143.677 -239.45 PRESSAVG: 2486400 39.9836 -11.7803 -8.24068 -11.7804 -19.2004 -32.6534 -8.24069 -32.6534 0.0829197 GPRESSAVG: 2486400 39.9293 -11.2642 -7.28167 -11.7415 -18.4295 -29.9926 -11.8622 -36.6388 -0.75848 TIMING: 2486400 CPU: 7858.96, 0.00316696/step Wall: 7858.96, 0.00316696/step, 2.21124 hours remaining, 238.046875 MB of memory in use. ENERGY: 2486400 4017.6618 20419.5028 14484.3317 233.2707 -203174.0614 2452.9691 0.0000 0.0000 52091.1753 -109475.1500 299.3687 -161566.3253 -109116.0621 299.2886 -77.4499 -42.5480 760430.5152 6.9554 6.9138 PRESSURE: 2486600 226.812 -148.326 -69.9508 -148.326 -81.7147 121.661 -69.9509 121.66 -4.58627 GPRESSURE: 2486600 175.188 -99.5876 -16.6416 -53.8396 49.1755 115.704 -108.236 256.773 -2.54873 PRESSAVG: 2486600 -2.0154 16.4607 -44.3478 16.4607 -52.3176 31.3726 -44.3478 31.3727 15.5893 GPRESSAVG: 2486600 -2.32204 16.5698 -43.3437 16.5341 -51.9337 28.277 -44.2464 36.3319 15.9456 TIMING: 2486600 CPU: 7859.6, 0.0031618/step Wall: 7859.6, 0.0031618/step, 2.20746 hours remaining, 238.046875 MB of memory in use. ENERGY: 2486600 3962.4367 20465.2909 14433.3872 245.8514 -203739.5406 2946.3412 0.0000 0.0000 52161.4397 -109524.7935 299.7725 -161686.2333 -109155.8892 299.0840 46.8370 73.9382 761427.0145 -12.9146 -12.7701 PRESSURE: 2486800 96.7483 -45.1306 -13.3979 -45.1301 35.7686 -19.6263 -13.3972 -19.6262 -410.99 GPRESSURE: 2486800 67.6529 32.3515 -22.5905 -99.9147 73.1553 -70.4498 -71.2608 38.6893 -337.063 PRESSAVG: 2486800 11.1649 -9.34183 12.3639 -9.34181 -34.9454 -6.51141 12.364 -6.51142 4.27567 GPRESSAVG: 2486800 11.6654 -9.17363 9.34048 -8.93098 -34.7841 -6.3416 15.5204 -6.89183 3.51873 TIMING: 2486800 CPU: 7860.23, 0.00318583/step Wall: 7860.23, 0.00318583/step, 2.22406 hours remaining, 238.046875 MB of memory in use. ENERGY: 2486800 3971.4218 20610.4294 14481.5550 270.8695 -203476.1808 2624.0052 0.0000 0.0000 52173.1360 -109344.7639 299.8397 -161517.8999 -108988.1722 298.8140 -92.8244 -65.4181 760980.7455 -6.5016 -6.5333 PRESSURE: 2487000 71.0059 75.5605 -36.6764 75.5603 207.194 233.152 -36.6761 233.152 -38.3579 GPRESSURE: 2487000 117.803 102.632 -39.2606 50.9506 209.332 213.229 -155.829 170.333 -8.20777 PRESSAVG: 2487000 -6.16646 5.65143 -13.256 5.65144 -40.4178 40.3056 -13.256 40.3056 -4.77107 GPRESSAVG: 2487000 -4.80903 5.33171 -12.0914 5.18462 -41.911 41.449 -15.0438 39.0889 -4.56715 TIMING: 2487000 CPU: 7860.87, 0.00317728/step Wall: 7860.87, 0.00317728/step, 2.21792 hours remaining, 238.046875 MB of memory in use. ENERGY: 2487000 3924.6787 20480.0594 14398.9254 242.8545 -203245.1277 2555.4357 0.0000 0.0000 52428.3208 -109214.8531 301.3063 -161643.1739 -108851.0507 299.6112 79.9473 106.3091 761597.8530 -17.1185 -17.0957 PRESSURE: 2487200 -376.066 -108.578 -234.076 -108.579 -183.691 -94.5259 -234.077 -94.5244 -115.139 GPRESSURE: 2487200 -282.316 -61.3382 -229.267 -96.5871 -141.328 -177.144 -96.008 -137.449 -157.542 PRESSAVG: 2487200 -2.98929 42.7019 -28.6092 42.7019 0.47111 -13.0292 -28.6092 -13.0291 2.50839 GPRESSAVG: 2487200 -3.91954 42.7727 -26.3924 41.2488 1.18944 -14.4104 -28.7489 -12.2543 2.46372 TIMING: 2487200 CPU: 7861.5, 0.00318594/step Wall: 7861.5, 0.00318594/step, 2.22379 hours remaining, 238.046875 MB of memory in use. ENERGY: 2487200 4075.0362 20603.3519 14417.5627 243.1243 -202917.6526 2549.2710 0.0000 0.0000 51987.1061 -109042.2004 298.7706 -161029.3064 -108673.5121 300.1741 -224.9653 -193.7289 761939.2403 -0.0033 -0.0888 PRESSURE: 2487400 -4.08523 70.6504 181.516 70.6506 -322.062 57.9878 181.516 57.9877 370.146 GPRESSURE: 2487400 30.6521 52.3831 223.089 -78.5646 -181.99 88.465 47.9907 -48.7134 287.068 PRESSAVG: 2487400 -39.6235 -6.09978 20.3326 -6.09973 16.9583 -7.1949 20.3326 -7.19488 -17.3093 GPRESSAVG: 2487400 -40.1965 -8.48118 17.3906 -2.45279 17.3732 -6.0777 22.7612 -7.88165 -17.2304 TIMING: 2487400 CPU: 7862.14, 0.00317963/step Wall: 7862.14, 0.00317963/step, 2.2192 hours remaining, 238.046875 MB of memory in use. ENERGY: 2487400 4024.9418 20484.6388 14372.7678 261.5866 -203104.5092 2606.5109 0.0000 0.0000 52265.6254 -109088.4379 300.3713 -161354.0634 -108722.6495 300.4362 14.6664 45.2436 761653.0423 -13.3248 -13.3512 PRESSURE: 2487600 -39.3735 62.1332 108.045 62.1341 -175.344 -94.9044 108.044 -94.9051 -71.6771 GPRESSURE: 2487600 1.57721 30.6169 97.9746 39.3557 -91.1425 -31.922 66.6865 -10.5614 -103.677 PRESSAVG: 2487600 29.1568 -44.7932 -15.2069 -44.7932 8.91464 -31.691 -15.2069 -31.6909 -11.012 GPRESSAVG: 2487600 28.9141 -43.6936 -16.3505 -47.7978 8.76406 -32.5682 -17.7359 -31.2391 -10.9983 TIMING: 2487600 CPU: 7862.78, 0.00318462/step Wall: 7862.78, 0.00318462/step, 2.22251 hours remaining, 238.046875 MB of memory in use. ENERGY: 2487600 3940.2091 20585.9127 14424.7660 263.1723 -203222.8707 2468.6384 0.0000 0.0000 51997.5235 -109542.6488 298.8305 -161540.1722 -109178.6371 299.9957 -95.4649 -64.4140 759793.2550 9.0198 8.8933 PRESSURE: 2487800 333.067 -86.1857 37.7128 -86.1854 222.414 -186.023 37.7123 -186.023 -288.517 GPRESSURE: 2487800 385.221 -118.355 96.7612 -66.4453 265.025 -125.507 35.1527 -233.89 -275.276 PRESSAVG: 2487800 72.979 -38.0643 10.7417 -38.0643 1.26494 -11.7575 10.7417 -11.7575 -11.4951 GPRESSAVG: 2487800 73.3648 -35.3552 14.4088 -38.5751 0.978137 -10.6467 9.47984 -12.9184 -11.5618 TIMING: 2487800 CPU: 7863.42, 0.00319755/step Wall: 7863.42, 0.00319755/step, 2.23136 hours remaining, 238.046875 MB of memory in use. ENERGY: 2487800 4032.8948 20389.3533 14498.7778 227.3328 -203277.7938 2495.3452 0.0000 0.0000 52319.1248 -109314.9651 300.6787 -161634.0899 -108949.5596 299.6187 88.9882 124.9898 759682.7083 20.9163 20.9271 PRESSURE: 2488000 195.915 92.49 -6.84333 92.49 61.584 128.628 -6.84318 128.628 535.119 GPRESSURE: 2488000 222.579 155.89 32.4281 -9.33046 86.9637 103.81 48.1714 262.379 580.537 PRESSAVG: 2488000 1.56339 -30.4545 37.0123 -30.4544 -8.37856 33.0023 37.0124 33.0023 -3.88734 GPRESSAVG: 2488000 1.14429 -32.378 35.5214 -29.2599 -8.14794 32.9549 39.903 33.0629 -3.49322 TIMING: 2488000 CPU: 7864.06, 0.00318867/step Wall: 7864.06, 0.00318867/step, 2.22498 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2488000 3972.1361 20381.2153 14491.3631 254.3851 -203260.2784 2648.9596 0.0000 0.0000 52110.7521 -109401.4672 299.4812 -161512.2193 -109038.8755 299.8138 264.2061 296.6934 760743.4439 -3.5675 -3.4990 PRESSURE: 2488200 136.009 -144.749 -109.495 -144.75 -207.583 122.903 -109.495 122.904 448.151 GPRESSURE: 2488200 247.621 -93.4927 -73.5733 -93.4289 -199.995 56.7644 -102.522 -24.2206 381.575 PRESSAVG: 2488200 26.6251 -4.28735 18.5186 -4.28738 -59.6077 52.6105 18.5186 52.6105 -6.80904 GPRESSAVG: 2488200 26.8669 -4.52498 18.4472 -1.18828 -60.3842 52.5241 17.8627 52.1628 -6.23336 TIMING: 2488200 CPU: 7864.69, 0.00318758/step Wall: 7864.69, 0.00318758/step, 2.22405 hours remaining, 238.046875 MB of memory in use. ENERGY: 2488200 3916.3372 20387.2530 14403.1220 253.5393 -203123.3632 2476.3486 0.0000 0.0000 52468.5251 -109218.2380 301.5373 -161686.7631 -108847.3675 300.2532 125.5258 143.0669 762159.6552 -13.2639 -13.2502 LDB: ============= START OF LOAD BALANCING ============== 7877.09 LDB: ============== END OF LOAD BALANCING =============== 7877.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7877.09 LDB: ============= START OF LOAD BALANCING ============== 7877.41 LDB: Largest compute 7076 load 0.035146 is 17.9% of average load 0.195908 LDB: Average compute 0.004394 is 2.2% of average load 0.195908 LDB: TIME 7877.42 LOAD: AVG 0.195908 MAX 0.218313 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7877.42 LOAD: AVG 0.195908 MAX 0.218313 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 7877.42 LOAD: AVG 0.195908 MAX 0.218313 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 7877.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7877.42 PRESSURE: 2488400 261.884 24.6882 -108.35 24.6889 160.194 190.112 -108.351 190.111 303.012 GPRESSURE: 2488400 273.834 -40.1942 -227.657 91.8669 158.643 183.954 -181.355 126.802 362.471 PRESSAVG: 2488400 19.3999 20.461 -42.918 20.461 -49.046 23.5315 -42.918 23.5315 -13.1239 GPRESSAVG: 2488400 19.6114 21.2084 -44.1472 15.4252 -48.2193 23.393 -42.8993 23.0299 -13.9425 TIMING: 2488400 CPU: 7865.34, 0.00323821/step Wall: 7865.34, 0.00323821/step, 2.25919 hours remaining, 238.613281 MB of memory in use. ENERGY: 2488400 3954.5624 20649.4331 14385.9268 269.3608 -203195.0874 2525.6004 0.0000 0.0000 52154.4679 -109255.7361 299.7324 -161410.2040 -108892.7665 299.7180 241.6969 264.9827 759204.4710 -14.2567 -14.1835 PRESSURE: 2488600 -139.129 -201.352 102.348 -201.352 -233.914 -118.547 102.348 -118.547 300.356 GPRESSURE: 2488600 -84.8944 -175.051 105.485 -201.202 -194.18 -79.1178 20.699 -224.499 284.91 PRESSAVG: 2488600 35.5443 5.19734 -29.3268 5.19731 -44.3461 -30.4022 -29.3269 -30.4022 7.51206 GPRESSAVG: 2488600 36.1765 5.13501 -28.7093 9.74053 -44.8618 -28.7892 -30.4636 -31.7803 7.07153 TIMING: 2488600 CPU: 7865.98, 0.00317871/step Wall: 7865.98, 0.0031787/step, 2.2175 hours remaining, 238.613281 MB of memory in use. ENERGY: 2488600 4031.7707 20686.9184 14389.2680 239.2312 -203101.3994 2370.0824 0.0000 0.0000 51854.0223 -109530.1063 298.0058 -161384.1286 -109187.8549 299.5512 -24.2288 1.9453 761392.8420 -0.4299 -0.5379 PRESSURE: 2488800 135.169 -289.765 184.032 -289.765 244.864 163.256 184.031 163.256 403.256 GPRESSURE: 2488800 126.245 -240.169 157.871 -312.68 338.481 12.8401 268.628 247.978 399.71 PRESSAVG: 2488800 67.6482 -41.8935 -17.0464 -41.8934 -78.6774 35.3054 -17.0464 35.3053 -0.13994 GPRESSAVG: 2488800 66.7004 -41.8001 -18.6014 -42.5522 -79.1233 32.4343 -16.1123 36.931 0.73977 TIMING: 2488800 CPU: 7866.61, 0.00316729/step Wall: 7866.61, 0.00316729/step, 2.20936 hours remaining, 238.613281 MB of memory in use. ENERGY: 2488800 3993.7042 20453.0722 14404.9040 252.2344 -203770.0702 2830.5511 0.0000 0.0000 52013.1741 -109822.4301 298.9204 -161835.6042 -109468.6724 298.8668 261.0964 288.1452 758977.2684 -3.7231 -3.8944 PRESSURE: 2489000 -530.112 19.702 -215.635 19.702 -253.006 -100.792 -215.636 -100.793 73.1058 GPRESSURE: 2489000 -374.704 107.393 -233.547 -40.9321 -331.019 -75.6221 -71.5023 -11.6963 93.4808 PRESSAVG: 2489000 24.4896 -28.1687 9.79538 -28.1688 -51.0986 22.727 9.79541 22.727 27.7494 GPRESSAVG: 2489000 24.6167 -25.382 11.6084 -28.5155 -49.965 22.9555 9.4091 22.2174 26.2707 TIMING: 2489000 CPU: 7867.24, 0.00316671/step Wall: 7867.24, 0.00316671/step, 2.20878 hours remaining, 238.613281 MB of memory in use. ENERGY: 2489000 3944.8582 20450.6864 14458.2738 234.9270 -203266.9094 2385.6051 0.0000 0.0000 52015.1817 -109777.3772 298.9320 -161792.5589 -109418.5914 297.9650 -236.6706 -204.0810 760664.9115 0.3802 0.3074 PRESSURE: 2489200 -70.3029 31.7507 164.841 31.75 55.1378 161.612 164.841 161.613 59.4907 GPRESSURE: 2489200 21.422 -13.5434 181.252 17.87 10.468 158.904 178.728 202.803 97.8966 PRESSAVG: 2489200 -3.65638 -3.49646 -21.5109 -3.49652 12.4153 2.46197 -21.5108 2.46197 7.09082 GPRESSAVG: 2489200 -3.56469 -6.4263 -22.8361 -2.76013 10.3016 3.3192 -17.9522 3.74569 9.098 TIMING: 2489200 CPU: 7867.88, 0.00316813/step Wall: 7867.88, 0.00316813/step, 2.20959 hours remaining, 238.613281 MB of memory in use. ENERGY: 2489200 3924.1805 20560.6252 14451.4202 243.1590 -202880.4029 2308.1259 0.0000 0.0000 51508.0611 -109884.8310 296.0175 -161392.8921 -109532.8652 298.3125 14.7752 43.2622 760954.1292 5.2833 5.2783 PRESSURE: 2489400 280.466 20.2857 -7.25911 20.2851 157.034 141.699 -7.25905 141.699 230.525 GPRESSURE: 2489400 265.929 60.158 -47.4531 78.343 247.346 216.284 -6.99199 47.3012 244.778 PRESSAVG: 2489400 29.7346 19.1498 61.4547 19.1499 -20.0356 5.15315 61.4546 5.15318 3.61176 GPRESSAVG: 2489400 29.8608 21.9529 62.5826 16.03 -19.5924 6.35483 57.3686 4.66861 3.16203 TIMING: 2489400 CPU: 7868.51, 0.00316857/step Wall: 7868.51, 0.00316857/step, 2.20973 hours remaining, 238.613281 MB of memory in use. ENERGY: 2489400 3838.8783 20410.8852 14460.5305 255.1071 -203824.6021 2788.6334 0.0000 0.0000 52210.2635 -109860.3041 300.0531 -162070.5675 -109496.8108 298.6631 222.6752 252.6844 758775.4010 4.4369 4.4768 PRESSURE: 2489600 46.8723 -104.783 74.4062 -104.783 -11.4458 -88.6194 74.4058 -88.6188 -5.30688 GPRESSURE: 2489600 30.6064 -131.338 192.46 -61.6944 87.0982 -26.0835 -196.834 -21.7517 -10.9368 PRESSAVG: 2489600 40.5776 -12.5725 -58.2639 -12.5724 -64.9612 20.9834 -58.2639 20.9834 5.7624 GPRESSAVG: 2489600 38.8956 -15.1556 -57.4999 -9.91205 -62.1507 21.0026 -58.3606 18.8673 4.22146 TIMING: 2489600 CPU: 7869.14, 0.00316183/step Wall: 7869.14, 0.00316183/step, 2.20485 hours remaining, 238.613281 MB of memory in use. ENERGY: 2489600 3992.3657 20647.0167 14409.8452 250.9001 -203170.3388 2167.6344 0.0000 0.0000 51939.8902 -109762.6864 298.4993 -161702.5766 -109412.1624 298.8180 10.0399 35.5893 760646.8150 -6.2071 -6.3446 PRESSURE: 2489800 87.8722 214.503 -277.111 214.503 -67.8122 -105.853 -277.112 -105.854 317.671 GPRESSURE: 2489800 64.1919 148.926 -297.834 99.9947 20.8657 -171.453 -109.18 -83.5061 319.867 PRESSAVG: 2489800 42.7759 4.92801 -9.63254 4.92799 -40.6581 4.33638 -9.63247 4.33635 4.75337 GPRESSAVG: 2489800 43.7668 4.7438 -10.0705 3.52721 -42.3897 3.06768 -6.69504 6.4818 4.84316 TIMING: 2489800 CPU: 7869.78, 0.00316871/step Wall: 7869.78, 0.00316871/step, 2.20947 hours remaining, 238.613281 MB of memory in use. ENERGY: 2489800 4012.7875 20550.2540 14459.3563 225.2061 -202984.8154 2282.5788 0.0000 0.0000 51780.1362 -109674.4966 297.5812 -161454.6328 -109307.7303 298.3481 112.5770 134.9750 759475.2495 2.2904 2.0734 PRESSURE: 2490000 -65.0722 -152.641 34.1452 -152.642 -54.915 29.268 34.1446 29.2681 -192.804 GPRESSURE: 2490000 -16.2223 -121.448 -11.5385 -54.4346 -81.301 85.1888 65.4009 8.15441 -139.477 PRESSAVG: 2490000 54.6955 -24.6888 -25.8315 -24.6888 -54.5622 1.11261 -25.8315 1.11256 28.8029 GPRESSAVG: 2490000 54.1983 -24.6397 -27.5556 -24.9189 -53.3483 0.829361 -26.3429 -1.51947 27.9633 TIMING: 2490000 CPU: 7870.41, 0.00316555/step Wall: 7870.41, 0.00316556/step, 2.2071 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2490000 3949.5340 20628.6072 14485.6847 276.6043 -203562.7474 2598.7598 0.0000 0.0000 51986.4563 -109637.1010 298.7669 -161623.5574 -109287.2997 298.7541 -104.2636 -79.0000 760786.0301 9.6454 9.6044 PRESSURE: 2490200 -138.73 78.9871 36.2358 78.9873 -213.954 88.3495 36.2367 88.3502 145.4 GPRESSURE: 2490200 -104.099 174.509 78.1636 -60.2465 -203.662 51.1161 -140.436 2.92955 169.69 PRESSAVG: 2490200 -15.1472 -29.3412 -12.8562 -29.3412 -12.6183 -22.5936 -12.8562 -22.5936 -5.64029 GPRESSAVG: 2490200 -14.4417 -29.0434 -11.7493 -27.116 -14.6389 -21.2805 -12.136 -19.9307 -4.66647 TIMING: 2490200 CPU: 7871.04, 0.00316259/step Wall: 7871.04, 0.00316259/step, 2.20485 hours remaining, 238.613281 MB of memory in use. ENERGY: 2490200 3960.4393 20580.7783 14468.2151 234.4430 -203625.9560 2531.4037 0.0000 0.0000 51985.6094 -109865.0673 298.7620 -161850.6767 -109494.7727 298.8972 -69.0947 -46.0236 760612.6128 -11.1353 -11.2490 PRESSURE: 2490400 -246.811 -46.7444 121.825 -46.7432 -313.489 -150.521 121.824 -150.522 143.117 GPRESSURE: 2490400 -223.971 -73.1278 151.232 13.0117 -252.771 -98.8815 177.003 -198.994 145.911 PRESSAVG: 2490400 -17.0274 -75.8844 -1.5486 -75.8843 -2.40609 -28.9535 -1.54857 -28.9535 0.658217 GPRESSAVG: 2490400 -16.3108 -76.362 -3.37821 -76.8728 -3.13858 -30.6069 -1.65972 -28.8684 1.27157 TIMING: 2490400 CPU: 7871.68, 0.00317352/step Wall: 7871.68, 0.00317352/step, 2.2123 hours remaining, 238.613281 MB of memory in use. ENERGY: 2490400 3918.8365 20666.0106 14446.8913 240.8491 -203335.1767 2242.1921 0.0000 0.0000 51857.2810 -109963.1161 298.0245 -161820.3971 -109601.5726 298.6496 -139.0611 -110.2771 761115.5737 -6.2584 -6.0593 PRESSURE: 2490600 30.8321 -142.983 115.034 -142.983 -349.591 -129.633 115.034 -129.633 -7.20367 GPRESSURE: 2490600 17.7617 -79.1267 217.364 -138.599 -285.247 -123.628 155.845 -4.98387 21.0526 PRESSAVG: 2490600 35.5829 -41.8687 69.3039 -41.8687 -29.9667 -21.8245 69.3039 -21.8245 10.9195 GPRESSAVG: 2490600 35.348 -42.3962 70.8235 -42.4316 -28.9864 -21.3647 69.2764 -21.2136 10.2679 TIMING: 2490600 CPU: 7872.31, 0.00316621/step Wall: 7872.31, 0.00316621/step, 2.20703 hours remaining, 238.613281 MB of memory in use. ENERGY: 2490600 3988.8458 20535.9523 14450.1313 217.8223 -203569.3095 2360.1684 0.0000 0.0000 52112.4538 -109903.9355 299.4910 -162016.3893 -109543.5052 298.5529 -108.6542 -82.1443 759720.6736 5.5119 5.5432 PRESSURE: 2490800 -28.1878 86.1707 -353.701 86.1705 38.5651 -70.5929 -353.702 -70.5943 -162.004 GPRESSURE: 2490800 -14.0972 51.661 -301.541 142.188 31.8385 -48.8642 -404.406 -245.516 -89.6629 PRESSAVG: 2490800 41.6429 -6.03172 34.0417 -6.03171 -30.621 7.18278 34.0417 7.18288 6.49169 GPRESSAVG: 2490800 41.5142 -5.74098 33.8936 -6.37295 -30.4576 6.62559 33.7774 5.53064 6.49583 TIMING: 2490800 CPU: 7872.94, 0.00316891/step Wall: 7872.94, 0.00316891/step, 2.20873 hours remaining, 238.613281 MB of memory in use. ENERGY: 2490800 3966.0744 20579.1287 14465.3072 236.6598 -203088.9738 2163.3897 0.0000 0.0000 51731.7318 -109946.6821 297.3030 -161678.4139 -109580.9924 298.3156 -50.5421 -23.9738 761969.3027 5.8378 5.8508 PRESSURE: 2491000 318.912 237.258 -97.1194 237.258 -161.01 -206.276 -97.1195 -206.275 -311.901 GPRESSURE: 2491000 273.682 209.671 -64.9429 186.953 -100.143 -189.375 -104.099 -184.618 -239.057 PRESSAVG: 2491000 20.0285 19.3705 -40.0664 19.3705 -10.3363 3.07104 -40.0664 3.07117 6.09469 GPRESSAVG: 2491000 19.1292 20.6521 -38.1772 19.8263 -10.5409 4.11593 -41.1948 2.48928 7.13943 TIMING: 2491000 CPU: 7873.58, 0.00316173/step Wall: 7873.58, 0.00316173/step, 2.20355 hours remaining, 238.613281 MB of memory in use. ENERGY: 2491000 3981.8334 20347.4212 14409.0240 242.8940 -203581.1332 2857.0607 0.0000 0.0000 51884.1233 -109858.7766 298.1788 -161742.8999 -109503.9229 297.8808 -51.3329 -21.8395 761144.7974 5.2623 5.2426 PRESSURE: 2491200 -317.983 35.9357 -81.1374 35.9367 -92.061 78.6384 -81.1362 78.6367 -88.8277 GPRESSURE: 2491200 -281.339 54.2625 -72.8942 -11.1732 -41.5264 42.9488 -84.5846 57.9755 -75.4026 PRESSAVG: 2491200 48.243 19.1622 -32.9621 19.1622 -69.3602 1.61917 -32.9621 1.61925 -30.6191 GPRESSAVG: 2491200 48.4802 19.7013 -33.8106 16.4789 -69.3139 1.15923 -33.1039 0.77146 -30.5845 TIMING: 2491200 CPU: 7874.21, 0.00316032/step Wall: 7874.21, 0.00316032/step, 2.20239 hours remaining, 238.613281 MB of memory in use. ENERGY: 2491200 3994.2351 20551.5249 14432.2209 248.7925 -203501.7123 2645.9371 0.0000 0.0000 51846.2026 -109782.7991 297.9608 -161629.0018 -109426.6623 298.6106 -166.2906 -132.7560 762450.2559 -17.2454 -17.1394 PRESSURE: 2491400 -151.306 -74.5878 -11.5424 -74.5872 122.664 -26.7659 -11.5419 -26.7665 124.161 GPRESSURE: 2491400 -103.404 -91.5185 -21.1296 -74.5257 39.9133 15.2578 22.2268 86.0236 243.937 PRESSAVG: 2491400 39.9674 17.6914 1.15731 17.6914 -19.0419 3.00804 1.15735 3.00806 -4.36785 GPRESSAVG: 2491400 40.1765 18.0917 1.24441 19.1851 -19.3476 4.9006 1.26888 5.77719 -4.96174 TIMING: 2491400 CPU: 7874.84, 0.00315861/step Wall: 7874.84, 0.00315861/step, 2.20103 hours remaining, 238.613281 MB of memory in use. ENERGY: 2491400 3909.1383 20531.0927 14534.9516 246.5489 -203734.4576 2806.4533 0.0000 0.0000 52018.5474 -109687.7253 298.9513 -161706.2727 -109323.1197 298.5033 31.8399 60.1485 761596.7834 5.5192 5.2890 PRESSURE: 2491600 -272.72 -0.153629 83.2719 -0.15365 -185.622 -69.8213 83.2726 -69.8222 -399.988 GPRESSURE: 2491600 -204.046 66.3166 202.614 -108.233 -112.29 -35.9709 46.6659 -73.8825 -477.57 PRESSAVG: 2491600 -13.7657 -1.26682 -14.8334 -1.26682 25.3424 -33.5213 -14.8333 -33.5214 17.267 GPRESSAVG: 2491600 -13.2748 -0.762696 -14.2603 -2.8913 25.2214 -36.3023 -15.4851 -33.9493 17.488 TIMING: 2491600 CPU: 7875.47, 0.00315494/step Wall: 7875.47, 0.00315494/step, 2.1983 hours remaining, 238.613281 MB of memory in use. ENERGY: 2491600 3951.0386 20646.0648 14475.4070 249.8725 -203443.2476 2582.1536 0.0000 0.0000 52014.7329 -109523.9783 298.9294 -161538.7112 -109165.8884 298.9601 -286.1102 -264.6353 762596.3445 9.6146 9.8115 PRESSURE: 2491800 -479.203 -210.735 -128.17 -210.736 -48.2043 78.3615 -128.17 78.3617 -195.195 GPRESSURE: 2491800 -356.08 -178.018 -127.668 -158.094 -82.9946 70.759 -48.1121 138.355 -218.506 PRESSAVG: 2491800 -6.43259 -33.8353 -27.5001 -33.8353 38.3325 -28.2469 -27.5001 -28.2469 -5.98488 GPRESSAVG: 2491800 -7.02782 -34.9654 -28.5014 -33.8557 38.9314 -28.4827 -25.6172 -28.3479 -5.90363 TIMING: 2491800 CPU: 7876.1, 0.00316818/step Wall: 7876.1, 0.00316818/step, 2.20734 hours remaining, 238.613281 MB of memory in use. ENERGY: 2491800 3972.1379 20581.9240 14380.1761 259.4581 -202958.9369 2329.1446 0.0000 0.0000 52024.4331 -109411.6632 298.9851 -161436.0962 -109057.4608 299.0146 -240.8672 -219.1935 762445.5864 8.6383 8.6666 PRESSURE: 2492000 -120.671 69.8864 50.1011 69.8855 -221.942 -46.9901 50.101 -46.9902 -238.272 GPRESSURE: 2492000 -130.678 -30.4885 41.8387 60.2046 -117.796 -7.04795 20.5227 -124.131 -264.382 PRESSAVG: 2492000 -6.59805 -87.2006 16.8393 -87.2006 -7.10759 -19.6395 16.8393 -19.6395 -10.4411 GPRESSAVG: 2492000 -5.78739 -87.6044 17.1819 -85.7043 -7.50769 -19.1692 14.9497 -21.0875 -10.556 TIMING: 2492000 CPU: 7876.73, 0.00314744/step Wall: 7876.73, 0.00314744/step, 2.19272 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2492000 4042.9030 20591.2983 14454.5525 218.0072 -203358.3691 2575.4303 0.0000 0.0000 52098.5007 -109377.6771 299.4108 -161476.1778 -109012.3539 298.8652 -193.6283 -170.9516 761024.7813 -8.0489 -7.9504 PRESSURE: 2492200 -254.593 -18.8827 -124.891 -18.8823 -465.311 261.826 -124.89 261.827 -269.334 GPRESSURE: 2492200 -238.23 14.9563 -35.4942 6.14313 -421.824 241.722 -70.8768 207.183 -232.666 PRESSAVG: 2492200 43.7984 -26.3962 4.04254 -26.3962 -27.6228 0.221467 4.04252 0.221454 4.11136 GPRESSAVG: 2492200 42.8416 -25.3397 4.25923 -27.0591 -27.5457 0.136686 3.92887 2.03299 4.67246 TIMING: 2492200 CPU: 7877.37, 0.00317961/step Wall: 7877.37, 0.00317961/step, 2.21495 hours remaining, 238.613281 MB of memory in use. ENERGY: 2492200 4043.0512 20543.8636 14409.5710 238.6202 -202975.9295 2279.4758 0.0000 0.0000 52085.3831 -109375.9646 299.3354 -161461.3477 -109004.2071 299.1201 -329.7459 -297.5734 761998.9815 6.7623 6.6561 LDB: ============= START OF LOAD BALANCING ============== 7889.77 LDB: ============== END OF LOAD BALANCING =============== 7889.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7889.77 LDB: ============= START OF LOAD BALANCING ============== 7890.09 LDB: Largest compute 7045 load 0.035166 is 17.9% of average load 0.195954 LDB: Average compute 0.004377 is 2.2% of average load 0.195954 LDB: TIME 7890.09 LOAD: AVG 0.195954 MAX 0.218575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 7890.09 LOAD: AVG 0.195954 MAX 0.218575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: TIME 7890.09 LOAD: AVG 0.195954 MAX 0.218575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: ============== END OF LOAD BALANCING =============== 7890.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7890.1 PRESSURE: 2492400 267.363 -305.686 -48.5407 -305.687 372.412 77.1187 -48.5417 77.1196 284.383 GPRESSURE: 2492400 273.18 -275.402 -148.968 -249.825 397.105 101.707 -157.312 72.1395 331.948 PRESSAVG: 2492400 27.1506 -45.7594 30.8128 -45.7595 -72.3748 41.2469 30.8128 41.247 -8.04356 GPRESSAVG: 2492400 27.5272 -45.0501 32.0899 -46.9867 -72.3574 41.3729 32.1351 41.0481 -8.25354 TIMING: 2492400 CPU: 7878.02, 0.00324336/step Wall: 7878.02, 0.00324336/step, 2.25918 hours remaining, 237.332031 MB of memory in use. ENERGY: 2492400 3930.8270 20592.6596 14516.2785 235.0472 -203270.5817 2722.9817 0.0000 0.0000 51880.7403 -109392.0474 298.1593 -161272.7877 -109028.7233 299.0623 308.0529 334.0776 762585.6665 -17.7559 -17.6946 PRESSURE: 2492600 302.681 -62.6251 -173.188 -62.6249 -95.5229 18.1604 -173.188 18.1607 556.595 GPRESSURE: 2492600 375.032 -219.729 -139.072 -111.254 -83.1501 -6.9893 -218.379 18.3813 548.86 PRESSAVG: 2492600 23.9254 -81.8132 9.28546 -81.8132 18.3654 18.8247 9.28549 18.8248 -7.54153 GPRESSAVG: 2492600 23.3333 -84.3083 7.768 -81.366 19.0067 19.1158 8.5378 19.7145 -8.0226 TIMING: 2492600 CPU: 7878.65, 0.00316933/step Wall: 7878.65, 0.00316933/step, 2.20744 hours remaining, 237.332031 MB of memory in use. ENERGY: 2492600 3955.5935 20595.9729 14454.2479 250.6408 -203508.0733 2581.0997 0.0000 0.0000 52138.1145 -109532.4040 299.6385 -161670.5185 -109175.5229 299.5393 254.5843 280.2474 759593.6317 11.5831 11.4391 PRESSURE: 2492800 -68.0625 -76.0629 -253.31 -76.0637 -162.704 -44.3923 -253.311 -44.3918 65.4397 GPRESSURE: 2492800 -34.7678 43.738 -262.579 -105.801 -118.073 3.24129 -295.989 -0.595681 90.2213 PRESSAVG: 2492800 22.7763 9.76887 -3.15031 9.76889 -16.5852 -48.464 -3.15032 -48.464 -14.2988 GPRESSAVG: 2492800 23.527 9.82658 -2.08329 11.9692 -18.1816 -47.6305 -2.62674 -50.2866 -13.3747 TIMING: 2492800 CPU: 7879.29, 0.00316438/step Wall: 7879.29, 0.00316438/step, 2.20381 hours remaining, 237.332031 MB of memory in use. ENERGY: 2492800 3978.7944 20354.0291 14394.9436 244.4143 -203017.0787 2227.1368 0.0000 0.0000 52208.3107 -109609.4498 300.0419 -161817.7605 -109240.5811 299.4859 -55.1089 -20.8733 762872.2543 -2.7026 -2.6764 PRESSURE: 2493000 12.2771 -153.816 -182.287 -153.816 -339.562 -88.9205 -182.287 -88.9205 -243.714 GPRESSURE: 2493000 68.1952 -35.1651 -147.888 -249.659 -230.184 -68.0593 -178.773 -56.0785 -304.233 PRESSAVG: 2493000 -31.1449 24.77 15.166 24.7701 -12.6467 4.73628 15.166 4.73622 -1.30873 GPRESSAVG: 2493000 -31.0212 26.5198 13.7233 23.3008 -11.6245 5.37303 13.946 3.6983 -2.11115 TIMING: 2493000 CPU: 7879.92, 0.00316643/step Wall: 7879.92, 0.00316642/step, 2.20506 hours remaining, 237.332031 MB of memory in use. ENERGY: 2493000 3998.8813 20447.1068 14398.6317 243.6886 -203214.2340 2537.9411 0.0000 0.0000 52007.8978 -109580.0867 298.8901 -161587.9845 -109209.6710 299.0502 -190.3331 -155.4072 760426.1382 -15.0335 -14.9190 PRESSURE: 2493200 21.1036 -93.9259 -52.5386 -93.9271 60.0042 62.4412 -52.5384 62.4428 117.033 GPRESSURE: 2493200 34.2192 -68.3294 -93.1206 -108.517 58.6998 134.728 13.4659 96.2154 191.952 PRESSAVG: 2493200 30.1922 -23.6399 -21.9819 -23.6399 38.886 2.62372 -21.9819 2.62374 -16.1636 GPRESSAVG: 2493200 30.694 -27.8392 -22.1122 -23.0171 39.7588 1.50701 -20.7151 4.01052 -16.8197 TIMING: 2493200 CPU: 7880.55, 0.00317409/step Wall: 7880.55, 0.00317409/step, 2.21023 hours remaining, 237.332031 MB of memory in use. ENERGY: 2493200 3990.6743 20428.1099 14406.1265 235.3654 -203201.5222 2605.0863 0.0000 0.0000 51994.8333 -109541.3263 298.8150 -161536.1597 -109168.5144 299.1553 66.0470 94.9569 760009.1798 17.6382 17.8777 PRESSURE: 2493400 -153.635 -88.8473 113.723 -88.8471 179.855 123.589 113.725 123.588 155.634 GPRESSURE: 2493400 -107.545 -87.658 143.682 -97.6641 245.219 150.601 83.8653 7.89633 116.58 PRESSAVG: 2493400 7.06944 -59.4098 -22.5834 -59.4099 11.1407 3.18271 -22.5834 3.18275 -3.2274 GPRESSAVG: 2493400 5.86855 -55.6785 -22.1505 -59.175 10.3321 3.61753 -22.3327 1.34481 -1.01602 TIMING: 2493400 CPU: 7881.19, 0.00317652/step Wall: 7881.19, 0.00317652/step, 2.21174 hours remaining, 237.332031 MB of memory in use. ENERGY: 2493400 4007.3507 20572.8988 14413.1626 246.4537 -203398.3775 2597.0627 0.0000 0.0000 52072.4208 -109489.0283 299.2609 -161561.4491 -109125.0363 299.1040 60.6179 84.7514 760118.3279 4.9942 5.0615 PRESSURE: 2493600 -67.7113 -5.51089 27.0099 -5.51101 159.704 -207.249 27.0101 -207.249 299.322 GPRESSURE: 2493600 -47.6877 127.768 -32.491 -117.878 189.788 -156.072 -12.7539 -194.342 311.75 PRESSAVG: 2493600 -57.4005 2.78161 -8.69512 2.78162 63.5116 -0.0258116 -8.69506 -0.0257457 20.1328 GPRESSAVG: 2493600 -55.8142 4.75526 -8.54906 2.209 63.9117 0.566737 -9.6222 -0.170355 17.2653 TIMING: 2493600 CPU: 7881.82, 0.00316736/step Wall: 7881.82, 0.00316736/step, 2.20519 hours remaining, 237.332031 MB of memory in use. ENERGY: 2493600 3969.9032 20530.8332 14442.0358 251.9194 -203236.1818 2700.9442 0.0000 0.0000 51934.5200 -109406.0261 298.4684 -161340.5462 -109043.3746 299.1638 130.4384 151.2833 760360.2848 8.7479 8.4543 PRESSURE: 2493800 -17.3728 43.6015 33.1632 43.6015 -38.409 -68.7803 33.1622 -68.78 -482.427 GPRESSURE: 2493800 -38.7739 6.88655 147.202 136.072 35.742 -81.1567 157.433 -29.8511 -429.449 PRESSAVG: 2493800 0.435283 -3.63206 41.7455 -3.63208 -18.6159 -54.4526 41.7456 -54.4525 -3.86091 GPRESSAVG: 2493800 -0.0901688 -5.39182 42.7811 -2.50982 -19.4633 -53.9718 41.5652 -52.1892 -2.44147 TIMING: 2493800 CPU: 7882.45, 0.00315355/step Wall: 7882.45, 0.00315355/step, 2.1954 hours remaining, 237.332031 MB of memory in use. ENERGY: 2493800 3937.7218 20482.1358 14424.6508 246.0666 -203214.0703 2581.9139 0.0000 0.0000 52320.0383 -109221.5430 300.6840 -161541.5813 -108862.8982 299.4389 -179.4031 -144.1601 762735.1408 -7.3472 -7.3316 PRESSURE: 2494000 -193.836 117.144 -18.065 117.144 -56.5739 25.7855 -18.0651 25.786 -66.2734 GPRESSURE: 2494000 -147.934 57.8563 35.7985 211.818 -8.05847 -26.6958 -151.99 22.1669 -89.3778 PRESSAVG: 2494000 9.43333 47.7104 10.9841 47.7103 -11.6184 -74.6764 10.9841 -74.6764 -1.36249 GPRESSAVG: 2494000 9.8295 48.8079 9.60029 45.816 -11.358 -77.6751 10.2978 -74.1543 -2.15606 TIMING: 2494000 CPU: 7883.09, 0.00318117/step Wall: 7883.09, 0.00318117/step, 2.21445 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2494000 3976.6239 20492.8277 14450.6360 246.4233 -203311.5435 2705.7387 0.0000 0.0000 52260.8485 -109178.4454 300.3438 -161439.2939 -108821.2559 299.9174 -105.5612 -81.7900 761182.3777 -1.1825 -1.2282 PRESSURE: 2494200 174.711 30.3377 91.025 30.3375 395.264 6.8612 91.0246 6.86075 30.6154 GPRESSURE: 2494200 264.355 132.11 115.009 9.48927 344.09 -20.5386 37.4462 123.872 89.7939 PRESSAVG: 2494200 8.25758 11.618 36.8939 11.6181 -10.1142 -21.9985 36.894 -21.9985 12.805 GPRESSAVG: 2494200 7.90794 10.738 37.5596 12.3293 -9.81856 -21.2897 38.6794 -21.2755 12.7647 TIMING: 2494200 CPU: 7883.73, 0.00319179/step Wall: 7883.73, 0.00319179/step, 2.22167 hours remaining, 237.332031 MB of memory in use. ENERGY: 2494200 3980.9503 20443.9667 14469.8617 246.8535 -203288.3939 2572.5390 0.0000 0.0000 52222.7501 -109351.4726 300.1249 -161574.2227 -108992.8523 299.8367 200.1968 232.7462 760385.8339 3.6495 3.6180 PRESSURE: 2494400 -63.8419 -274.282 -257.951 -274.283 -106.857 141.572 -257.952 141.572 -477.198 GPRESSURE: 2494400 -139.317 -261.8 -244.73 -222.846 -53.6092 131.547 -292.642 118.453 -372.469 PRESSAVG: 2494400 12.1154 23.5712 45.0238 23.5712 43.0161 30.4294 45.0238 30.4294 -19.1714 GPRESSAVG: 2494400 11.8787 23.8038 44.2541 23.7723 43.1368 31.801 42.6689 28.0317 -19.0118 TIMING: 2494400 CPU: 7884.36, 0.00317761/step Wall: 7884.36, 0.00317761/step, 2.21161 hours remaining, 237.332031 MB of memory in use. ENERGY: 2494400 4017.2807 20524.6957 14482.7024 263.3661 -203113.7261 2618.9586 0.0000 0.0000 52068.8512 -109137.8713 299.2404 -161206.7225 -108770.5589 299.7450 -215.9657 -188.4650 760821.4322 11.9867 12.0012 PRESSURE: 2494600 -326.771 85.711 86.5727 85.7102 -420.763 163.811 86.5718 163.81 -360.094 GPRESSURE: 2494600 -277.869 202.748 104.804 28.243 -334.954 262.286 158.013 122.732 -419.023 PRESSAVG: 2494600 -1.83359 6.6415 31.0834 6.6415 10.2788 20.0943 31.0835 20.0944 -26.2108 GPRESSAVG: 2494600 -2.94857 5.46676 31.4229 4.85475 9.63801 19.6389 32.6234 18.8777 -24.5841 TIMING: 2494600 CPU: 7884.99, 0.00316048/step Wall: 7884.99, 0.00316048/step, 2.19952 hours remaining, 237.332031 MB of memory in use. ENERGY: 2494600 4065.5866 20510.7964 14475.8232 255.7990 -202872.0570 2262.3936 0.0000 0.0000 52029.4340 -109272.2241 299.0139 -161301.6582 -108912.0910 299.5448 -369.2095 -343.9488 760623.8760 -5.9218 -5.9649 PRESSURE: 2494800 159.372 -55.1793 271.696 -55.1792 110.666 -57.023 271.696 -57.0226 -184.838 GPRESSURE: 2494800 170.96 -51.3894 231.375 -87.2351 119.934 -41.7065 160.207 26.1682 -130.698 PRESSAVG: 2494800 9.78557 -7.17517 16.9645 -7.17508 -36.3472 -1.66461 16.9644 -1.66464 -3.24207 GPRESSAVG: 2494800 10.7284 -8.48042 17.2546 -5.24196 -36.4796 -2.25042 17.6421 0.878713 -4.05767 TIMING: 2494800 CPU: 7885.63, 0.00315281/step Wall: 7885.63, 0.00315281/step, 2.19401 hours remaining, 237.332031 MB of memory in use. ENERGY: 2494800 4065.6427 20608.9066 14449.8360 260.3216 -203651.0935 2893.5097 0.0000 0.0000 51974.2666 -109398.6103 298.6968 -161372.8768 -109050.6595 299.4684 28.4001 53.3989 759062.7015 -9.9346 -9.9363 PRESSURE: 2495000 -105.706 -35.2816 33.6811 -35.2819 0.0590359 48.9021 33.6813 48.9016 -25.8778 GPRESSURE: 2495000 -46.3935 -105.672 4.97425 7.35592 77.4254 0.825604 21.6266 -65.8131 -76.6729 PRESSAVG: 2495000 13.6111 20.8189 26.6775 20.8189 -12.9946 -39.1685 26.6774 -39.1684 12.3233 GPRESSAVG: 2495000 12.0569 22.1072 25.835 19.8936 -11.807 -39.2046 26.1804 -40.2322 12.6933 TIMING: 2495000 CPU: 7886.26, 0.00316942/step Wall: 7886.26, 0.00316942/step, 2.20539 hours remaining, 237.332031 MB of memory in use. ENERGY: 2495000 3979.6558 20428.3295 14450.0983 245.6626 -203326.9403 2595.7679 0.0000 0.0000 52260.7380 -109366.6883 300.3432 -161627.4263 -108996.7149 299.2965 -43.8415 -15.2137 761116.6687 4.3132 4.3144 PRESSURE: 2495200 -31.1785 215.1 -120.406 215.099 31.8282 40.7006 -120.406 40.7015 15.1622 GPRESSURE: 2495200 40.5294 129.238 -24.6427 288.516 24.8176 52.3228 -157.406 79.9782 42.3419 PRESSAVG: 2495200 0.0284861 27.6828 -31.4301 27.6828 -0.171981 14.0658 -31.4302 14.0658 6.02106 GPRESSAVG: 2495200 0.183021 27.3423 -29.8681 29.2879 -1.48219 14.0251 -30.3598 14.3512 7.15077 TIMING: 2495200 CPU: 7886.89, 0.00316088/step Wall: 7886.89, 0.00316088/step, 2.19927 hours remaining, 237.332031 MB of memory in use. ENERGY: 2495200 3970.5990 20493.9539 14433.2339 247.4849 -202976.6033 2443.6352 0.0000 0.0000 52051.3146 -109336.3817 299.1396 -161387.6963 -108966.9540 299.6703 5.2706 35.8963 760617.2670 1.9592 1.9505 PRESSURE: 2495400 -332.098 163.053 -109.169 163.053 72.4989 -72.3618 -109.169 -72.3612 15.7769 GPRESSURE: 2495400 -138.771 104.467 -21.1401 64.5391 41.5243 -95.5476 -100.924 -12.7072 -52.5246 PRESSAVG: 2495400 -2.96062 8.08126 6.98029 8.08132 -10.0072 -7.94284 6.98024 -7.94287 -15.648 GPRESSAVG: 2495400 -2.23458 9.62615 6.07657 6.79529 -9.93636 -7.18278 6.44823 -6.90656 -16.4569 TIMING: 2495400 CPU: 7887.53, 0.00317064/step Wall: 7887.53, 0.00317064/step, 2.20589 hours remaining, 237.332031 MB of memory in use. ENERGY: 2495400 4038.5270 20494.6518 14402.5142 279.8345 -203108.5956 2597.4281 0.0000 0.0000 52096.2164 -109199.4235 299.3977 -161295.6399 -108841.1658 299.2207 -81.2741 -49.9238 762652.5333 -9.5386 -9.5426 PRESSURE: 2495600 -35.2572 65.3009 -75.6252 65.301 -211.511 36.4604 -75.6265 36.4606 -95.3408 GPRESSURE: 2495600 -149.546 183.17 -106.219 -33.0335 17.668 31.9545 -10.9082 18.0358 -133.774 PRESSAVG: 2495600 -33.982 22.8685 -49.119 22.8685 65.2563 22.6258 -49.1191 22.6258 -22.1805 GPRESSAVG: 2495600 -33.8584 23.2111 -48.0094 23.3488 65.1813 23.16 -51.0808 19.0803 -22.748 TIMING: 2495600 CPU: 7888.16, 0.00317219/step Wall: 7888.16, 0.00317219/step, 2.20678 hours remaining, 237.332031 MB of memory in use. ENERGY: 2495600 3948.3766 20435.1534 14360.2551 237.1340 -202720.2311 2378.7362 0.0000 0.0000 52221.9622 -109138.6135 300.1203 -161360.5757 -108773.1896 299.7463 -114.0363 -88.5505 762314.6216 3.0312 2.8583 PRESSURE: 2495800 -311.296 -48.7535 40.2605 -48.7534 -496.239 182.018 40.2604 182.017 -203.807 GPRESSURE: 2495800 -345.192 19.4643 110.832 -128.408 -445.107 169.239 45.3808 100.232 -153.183 PRESSAVG: 2495800 10.0086 29.2461 -22.7301 29.2461 -35.953 -14.3655 -22.7302 -14.3655 -22.5392 GPRESSAVG: 2495800 9.06434 27.9047 -22.5509 30.8812 -35.957 -16.1246 -19.1474 -12.1003 -21.0512 TIMING: 2495800 CPU: 7888.79, 0.00314665/step Wall: 7888.79, 0.00314665/step, 2.18885 hours remaining, 237.332031 MB of memory in use. ENERGY: 2495800 3960.0230 20455.7318 14392.6349 255.1591 -203099.0706 2342.3509 0.0000 0.0000 52365.9172 -109327.2537 300.9476 -161693.1709 -108967.8329 299.4976 -337.1139 -314.4941 760393.7831 -16.1612 -15.9813 PRESSURE: 2496000 -247.203 80.4112 -119.504 80.4114 303.866 -19.5016 -119.504 -19.5017 -347.649 GPRESSURE: 2496000 -166.836 81.5671 -234.87 124.067 292.624 13.2112 -108.69 50.8541 -316.976 PRESSAVG: 2496000 -2.7153 9.47648 4.521 9.47653 14.6227 3.68519 4.52098 3.68527 11.2595 GPRESSAVG: 2496000 -2.17309 12.494 3.06943 7.38722 13.6869 5.44948 2.28665 1.96623 11.1852 TIMING: 2496000 CPU: 7889.42, 0.00315593/step Wall: 7889.42, 0.00315593/step, 2.19512 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2496000 3901.0413 20660.6088 14420.5859 248.1928 -203194.2355 2305.7733 0.0000 0.0000 52100.4176 -109557.6157 299.4218 -161658.0333 -109195.4973 299.5340 -96.9952 -63.7294 760783.3282 7.7223 7.5663 PRESSURE: 2496200 -30.7431 81.4317 -164.614 81.433 3.47201 20.9218 -164.612 20.9221 -87.5095 GPRESSURE: 2496200 18.7627 32.5233 -40.8009 -7.84525 -33.6255 14.919 -148.601 43.3658 -19.7026 PRESSAVG: 2496200 21.3214 -23.6318 -24.1927 -23.6318 0.343232 -23.2538 -24.1928 -23.2538 -0.472778 GPRESSAVG: 2496200 20.3661 -23.9862 -24.0615 -24.7921 1.43452 -23.6427 -21.9997 -21.886 -0.411662 TIMING: 2496200 CPU: 7890.05, 0.00315911/step Wall: 7890.05, 0.00315911/step, 2.19716 hours remaining, 237.332031 MB of memory in use. ENERGY: 2496200 3970.8244 20613.3637 14451.2276 253.1319 -203453.9825 2502.6644 0.0000 0.0000 52159.2992 -109503.4712 299.7602 -161662.7705 -109130.3348 299.2493 -38.2602 -11.5218 759875.7188 7.0639 7.1297 LDB: ============= START OF LOAD BALANCING ============== 7902.45 LDB: ============== END OF LOAD BALANCING =============== 7902.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7902.45 LDB: ============= START OF LOAD BALANCING ============== 7902.77 LDB: Largest compute 7045 load 0.033804 is 17.2% of average load 0.196064 LDB: Average compute 0.004382 is 2.2% of average load 0.196064 LDB: TIME 7902.77 LOAD: AVG 0.196064 MAX 0.216078 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 7902.77 LOAD: AVG 0.196064 MAX 0.216078 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 7902.77 LOAD: AVG 0.196064 MAX 0.216078 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 7902.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7902.78 PRESSURE: 2496400 -83.6517 -362.634 276.901 -362.634 -9.44929 -34.4999 276.901 -34.5002 120.944 GPRESSURE: 2496400 -39.5447 -200.36 286.036 -273.81 18.0673 -151.651 162.518 -31.865 150.55 PRESSAVG: 2496400 -24.0067 -44.2951 -16.8603 -44.2951 40.4649 -29.1294 -16.8603 -29.1294 26.8824 GPRESSAVG: 2496400 -23.45 -44.5626 -17.1242 -41.1403 39.5227 -29.1084 -18.6239 -30.9763 26.6134 TIMING: 2496400 CPU: 7890.7, 0.00321675/step Wall: 7890.7, 0.00321675/step, 2.23707 hours remaining, 239.125000 MB of memory in use. ENERGY: 2496400 3951.3658 20330.6902 14459.2012 241.8199 -203312.0617 2555.3765 0.0000 0.0000 52085.9672 -109687.6411 299.3388 -161773.6083 -109319.7356 298.4852 9.2808 43.0241 761308.0488 14.4468 14.2287 PRESSURE: 2496600 -170.147 -69.9059 -227.019 -69.906 112.455 -128.004 -227.018 -128.006 -213.408 GPRESSURE: 2496600 -143.602 -162.722 -188.928 -131.792 159.604 -60.3223 -159.915 -37.1922 -208.523 PRESSAVG: 2496600 17.399 -11.4159 -41.4234 -11.4158 5.43843 -4.4315 -41.4234 -4.43149 3.21561 GPRESSAVG: 2496600 16.1303 -13.4463 -41.9455 -11.8386 6.90826 -5.59952 -41.9059 -1.49303 3.15037 TIMING: 2496600 CPU: 7891.33, 0.00314616/step Wall: 7891.33, 0.00314616/step, 2.1878 hours remaining, 239.125000 MB of memory in use. ENERGY: 2496600 4023.4771 20294.4522 14390.9009 241.1435 -203452.5643 2727.1320 0.0000 0.0000 51981.4841 -109793.9745 298.7383 -161775.4585 -109427.1553 298.7157 -90.3667 -64.1738 759804.3840 8.6843 8.7296 PRESSURE: 2496800 385.655 78.5118 235.131 78.5128 -138.767 -40.9454 235.132 -40.9455 229.179 GPRESSURE: 2496800 345.044 40.932 155.564 169.704 -28.3715 -52.3133 276.885 -27.5947 248.515 PRESSAVG: 2496800 21.922 -20.596 2.36064 -20.5961 -34.0254 6.43675 2.36066 6.43678 -1.25528 GPRESSAVG: 2496800 22.3147 -18.9701 2.7168 -21.773 -33.2888 7.60684 5.00128 4.42831 -2.2453 TIMING: 2496800 CPU: 7891.95, 0.00314903/step Wall: 7891.95, 0.00314903/step, 2.18962 hours remaining, 239.125000 MB of memory in use. ENERGY: 2496800 3940.7325 20335.3419 14428.7866 240.5192 -203803.8935 3063.8569 0.0000 0.0000 51994.4356 -109800.2208 298.8127 -161794.6564 -109434.0794 298.4222 158.6888 188.3960 760761.1476 -4.4529 -4.4064 PRESSURE: 2497000 -38.6653 -98.0657 -132.738 -98.0655 -41.8228 98.3164 -132.738 98.3157 -67.1089 GPRESSURE: 2497000 -18.558 -194.576 -115.188 -2.57021 -49.6936 69.4352 -109.698 74.8861 4.3614 PRESSAVG: 2497000 -14.9874 -15.3258 8.04255 -15.3258 -1.95928 -28.0973 8.04256 -28.0973 12.5018 GPRESSAVG: 2497000 -14.8871 -15.3118 8.98718 -15.4733 -2.57705 -28.01 5.43247 -26.2631 13.1471 TIMING: 2497000 CPU: 7892.58, 0.00313828/step Wall: 7892.58, 0.00313828/step, 2.18197 hours remaining, 239.125000 MB of memory in use. ENERGY: 2497000 3935.4727 20589.8243 14380.3285 243.7879 -203239.3377 2483.8652 0.0000 0.0000 51891.5343 -109714.5249 298.2214 -161606.0591 -109351.7437 298.5148 -49.1990 -21.2968 761415.1600 -1.4816 -1.4390 PRESSURE: 2497200 -116.87 14.562 367.726 14.5621 -81.9969 202.431 367.727 202.429 62.6639 GPRESSURE: 2497200 -13.8655 -49.2735 352.222 -85.5325 -90.5186 132.27 296.787 78.6322 32.4327 PRESSAVG: 2497200 8.79764 5.76789 27.1784 5.76798 -7.69729 -19.8034 27.1785 -19.8033 12.9352 GPRESSAVG: 2497200 10.1508 5.47694 25.3281 3.90376 -9.84253 -20.5324 28.8518 -22.3347 13.2225 TIMING: 2497200 CPU: 7893.22, 0.00316881/step Wall: 7893.22, 0.00316881/step, 2.20302 hours remaining, 239.125000 MB of memory in use. ENERGY: 2497200 3908.1030 20385.6995 14497.4872 253.5727 -203801.6973 3016.4390 0.0000 0.0000 51931.4350 -109808.9608 298.4507 -161740.3959 -109437.2014 298.8827 -45.4009 -23.9838 760173.2169 4.6785 4.5103 PRESSURE: 2497400 -13.9909 -36.4645 0.651601 -36.4647 -162.39 -69.8878 0.651316 -69.8874 -35.2355 GPRESSURE: 2497400 -73.2533 -145.053 -73.8172 -149.178 -83.0082 7.14461 9.54393 -13.4824 3.99488 PRESSAVG: 2497400 52.4557 -32.8769 15.7637 -32.8769 -30.8694 -17.6765 15.7637 -17.6765 -22.8296 GPRESSAVG: 2497400 51.1406 -33.245 17.1983 -30.5359 -30.4528 -17.3033 15.398 -15.5994 -22.3169 TIMING: 2497400 CPU: 7893.85, 0.00315169/step Wall: 7893.85, 0.00315169/step, 2.19095 hours remaining, 239.125000 MB of memory in use. ENERGY: 2497400 3992.8201 20532.1934 14407.8401 248.7530 -203762.5121 2711.6221 0.0000 0.0000 52058.3018 -109810.9816 299.1798 -161869.2834 -109445.7211 298.4784 -70.5388 -50.7555 761867.4545 -0.4144 -0.5430 PRESSURE: 2497600 162.214 -89.0168 -283.581 -89.0172 -407.472 181.275 -283.581 181.274 -98.6621 GPRESSURE: 2497600 159.671 -158.848 -290.438 60.7761 -351.022 210.083 -256.934 106.059 -54.7538 PRESSAVG: 2497600 61.4149 0.304749 -2.14522 0.304743 -59.8403 -16.2973 -2.14519 -16.2972 -1.56966 GPRESSAVG: 2497600 61.1761 -0.576259 -3.41718 1.26806 -59.6629 -15.5996 -1.62653 -15.4188 -1.3631 TIMING: 2497600 CPU: 7894.47, 0.00313378/step Wall: 7894.47, 0.00313378/step, 2.17832 hours remaining, 239.125000 MB of memory in use. ENERGY: 2497600 3920.6129 20340.5679 14403.6679 235.0217 -203420.4654 2336.4198 0.0000 0.0000 52301.5816 -109882.5935 300.5779 -162184.1751 -109521.8823 298.4531 -114.6399 -82.0348 760556.4557 0.0016 0.0500 PRESSURE: 2497800 308.874 -149.7 61.7724 -149.701 -268.189 145.277 61.7721 145.277 109.906 GPRESSURE: 2497800 220.078 -43.9061 91.7333 -78.0725 -140.262 180.188 125.97 66.657 159.096 PRESSAVG: 2497800 14.0839 -9.32994 -15.9299 -9.3299 -10.8188 50.9705 -15.93 50.9706 4.73218 GPRESSAVG: 2497800 14.0704 -8.90392 -14.4828 -10.4048 -10.2815 50.4964 -16.8494 49.2559 4.37357 TIMING: 2497800 CPU: 7895.1, 0.00315725/step Wall: 7895.1, 0.00315725/step, 2.19447 hours remaining, 239.125000 MB of memory in use. ENERGY: 2497800 3898.2097 20416.9201 14369.5129 235.0726 -203275.3021 2427.9115 0.0000 0.0000 52148.9150 -109778.7602 299.7005 -161927.6752 -109411.1992 298.4649 50.1971 79.6372 761296.8667 2.6658 2.7208 PRESSURE: 2498000 -64.7569 185.616 32.8781 185.617 130.749 184.687 32.8781 184.686 -122.402 GPRESSURE: 2498000 -24.7442 214.699 23.9423 237.58 130.929 145.711 57.0954 200.403 -70.3178 PRESSAVG: 2498000 -9.50385 8.79347 36.7057 8.79345 40.47 -40.9544 36.7058 -40.9544 -18.3054 GPRESSAVG: 2498000 -9.46965 8.87749 36.572 8.84131 40.0393 -41.9869 35.2096 -40.7737 -17.887 TIMING: 2498000 CPU: 7895.74, 0.00315323/step Wall: 7895.74, 0.00315323/step, 2.19149 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2498000 3961.7859 20558.2051 14425.5143 248.7489 -202967.9576 2534.1841 0.0000 0.0000 51663.0056 -109576.5136 296.9080 -161239.5193 -109222.1314 298.1824 -18.8033 11.9557 762201.1250 4.2202 4.2275 PRESSURE: 2498200 -176.572 -99.4976 -123.695 -99.4976 -99.2615 -265.874 -123.696 -265.875 -448.535 GPRESSURE: 2498200 -119.632 -177.869 -157.037 -38.8256 -40.1275 -238.881 -145.343 -226.094 -498.487 PRESSAVG: 2498200 -26.302 -10.1748 3.40176 -10.1748 3.37744 19.6667 3.40176 19.6668 7.20353 GPRESSAVG: 2498200 -25.6619 -10.74 2.80217 -11.2478 3.2719 19.8173 4.56222 20.9362 6.85549 TIMING: 2498200 CPU: 7896.37, 0.0031486/step Wall: 7896.37, 0.0031486/step, 2.1881 hours remaining, 239.125000 MB of memory in use. ENERGY: 2498200 4040.8531 20574.8239 14457.7460 240.7802 -203100.7313 2325.3645 0.0000 0.0000 51834.6470 -109626.5167 297.8944 -161461.1637 -109267.9434 298.1727 -241.4560 -219.4153 761326.4811 -5.2403 -5.1782 PRESSURE: 2498400 190.515 -93.0959 -9.25654 -93.0955 7.89676 -136.215 -9.25609 -136.216 -190.852 GPRESSURE: 2498400 253.94 -32.7501 33.4565 -141.376 -28.716 -155.768 -18.9747 5.45418 -134.818 PRESSAVG: 2498400 24.7001 -16.0269 7.73737 -16.027 5.26618 -3.74384 7.73736 -3.74384 3.91526 GPRESSAVG: 2498400 24.097 -13.7228 7.77607 -16.953 4.70621 -2.62393 7.9041 -4.14186 5.4541 TIMING: 2498400 CPU: 7896.99, 0.00314748/step Wall: 7896.99, 0.00314748/step, 2.18715 hours remaining, 239.125000 MB of memory in use. ENERGY: 2498400 3979.9343 20552.7766 14437.5245 240.6383 -203418.8111 2729.0832 0.0000 0.0000 51837.8964 -109640.9579 297.9131 -161478.8543 -109281.4386 298.4150 2.5200 30.1355 760813.7248 11.2938 11.4191 PRESSURE: 2498600 67.6383 -53.6134 313.952 -53.615 191.06 169.063 313.952 169.062 91.0714 GPRESSURE: 2498600 100.534 -126.301 211.733 -81.5168 262.207 160.76 242.952 183.94 77.3111 PRESSAVG: 2498600 14.2353 -2.78105 27.9516 -2.78102 8.79501 3.09506 27.9516 3.09517 14.5838 GPRESSAVG: 2498600 14.8984 -5.26048 26.9726 -0.850426 9.7402 2.709 28.6793 4.12994 12.948 TIMING: 2498600 CPU: 7897.63, 0.00315669/step Wall: 7897.63, 0.00315668/step, 2.19337 hours remaining, 239.125000 MB of memory in use. ENERGY: 2498600 4005.0870 20441.7746 14434.9115 239.6241 -203663.2171 2798.1155 0.0000 0.0000 52192.2211 -109551.4833 299.9494 -161743.7044 -109185.8851 299.1391 116.5899 146.6840 760782.3156 12.5380 12.5289 PRESSURE: 2498800 42.0025 157.189 -1.45107 157.189 11.6951 126.387 -1.45091 126.386 14.3823 GPRESSURE: 2498800 106.551 175.772 87.3427 39.5538 41.4827 138.822 2.84301 103.857 21.469 PRESSAVG: 2498800 13.191 -38.8811 8.21529 -38.881 19.9653 56.0785 8.21526 56.0785 5.56051 GPRESSAVG: 2498800 13.582 -38.4589 9.70129 -39.7498 19.4691 57.1969 6.07148 54.6429 5.6931 TIMING: 2498800 CPU: 7898.26, 0.00315969/step Wall: 7898.26, 0.00315969/step, 2.19528 hours remaining, 239.125000 MB of memory in use. ENERGY: 2498800 3887.3412 20494.8809 14454.7293 248.3906 -203234.4873 2486.9849 0.0000 0.0000 52074.0065 -109588.1538 299.2700 -161662.1603 -109219.3008 299.0503 22.6933 56.5011 761536.9760 12.9056 12.9147 PRESSURE: 2499000 17.641 -80.0344 -27.4905 -80.0351 -35.9013 -2.76266 -27.4907 -2.76332 37.2954 GPRESSURE: 2499000 85.0061 36.3264 13.5095 -29.0691 -8.21691 -31.0069 30.5249 -91.2968 15.8348 PRESSAVG: 2499000 -6.97772 -30.5483 6.84366 -30.5482 -33.0519 35.7143 6.84369 35.7143 26.5918 GPRESSAVG: 2499000 -6.80774 -30.0154 6.47167 -30.6912 -32.7477 35.4181 8.99609 35.4566 26.649 TIMING: 2499000 CPU: 7898.89, 0.00314328/step Wall: 7898.89, 0.00314328/step, 2.18371 hours remaining, 239.125000 MB of memory in use. ENERGY: 2499000 4020.2274 20583.5920 14356.8388 249.2257 -203977.8901 2956.5052 0.0000 0.0000 52129.9390 -109681.5620 299.5915 -161811.5010 -109319.4660 299.1296 6.3450 30.8746 759486.5925 -4.4793 -4.3021 PRESSURE: 2499200 502.772 -49.4224 61.1002 -49.4224 9.02204 90.4076 61.0999 90.4088 224.691 GPRESSURE: 2499200 507.874 -14.8724 92.3524 61.7373 95.0136 128.63 145.265 122.494 229.275 PRESSAVG: 2499200 67.6232 -57.5285 17.0363 -57.5285 -20.2244 110.877 17.0363 110.877 -1.59329 GPRESSAVG: 2499200 67.2534 -57.6941 18.249 -57.8855 -19.4922 110.553 17.502 111.675 -1.33487 TIMING: 2499200 CPU: 7899.52, 0.00314597/step Wall: 7899.52, 0.00314597/step, 2.1854 hours remaining, 239.125000 MB of memory in use. ENERGY: 2499200 3956.1033 20582.6354 14391.3172 240.9821 -203515.1173 2790.9401 0.0000 0.0000 51906.3156 -109646.8236 298.3063 -161553.1392 -109288.0914 299.3088 245.4948 277.3877 760580.8498 15.2685 15.4754 PRESSURE: 2499400 -232.235 68.7636 185.482 68.7626 -86.0176 58.2344 185.483 58.2344 453.944 GPRESSURE: 2499400 -137.798 32.5874 216.471 88.9602 -42.7657 68.7319 210.004 123.845 398.565 PRESSAVG: 2499400 16.5575 1.37017 44.2409 1.37015 -56.6741 5.96532 44.241 5.96531 16.8904 GPRESSAVG: 2499400 18.0475 0.410928 43.4538 0.747624 -58.4457 4.97767 43.1932 4.58089 17.0236 TIMING: 2499400 CPU: 7900.14, 0.0031434/step Wall: 7900.14, 0.0031434/step, 2.18344 hours remaining, 239.125000 MB of memory in use. ENERGY: 2499400 3970.1553 20458.3694 14394.4968 257.5612 -203572.0077 2662.1078 0.0000 0.0000 52208.0752 -109621.2420 300.0405 -161829.3172 -109255.6620 299.2985 45.2304 72.6669 759147.5971 -7.7421 -7.7916 PRESSURE: 2499600 -9.92943 -120.996 136.625 -120.997 178.634 171.888 136.625 171.887 -145.629 GPRESSURE: 2499600 -12.974 -136.001 72.9059 -44.9365 255.383 114.159 138.889 130.786 -113.922 PRESSAVG: 2499600 68.7536 -10.7384 28.933 -10.7384 -49.4649 55.4541 28.933 55.454 6.2861 GPRESSAVG: 2499600 68.4089 -9.9453 27.9894 -10.1638 -48.4025 55.0968 29.5581 56.9881 6.22889 TIMING: 2499600 CPU: 7900.77, 0.00314387/step Wall: 7900.77, 0.00314387/step, 2.18359 hours remaining, 239.125000 MB of memory in use. ENERGY: 2499600 3926.0312 20629.5245 14470.0009 249.7578 -203064.2273 2382.7512 0.0000 0.0000 52063.8622 -109342.2993 299.2117 -161406.1616 -108978.1260 299.3922 7.6918 42.8288 761503.8272 8.5249 8.7451 PRESSURE: 2499800 -663.02 -149.811 -112.486 -149.812 -231.328 -347.19 -112.486 -347.19 -363.633 GPRESSURE: 2499800 -708.695 -111.533 -70.2342 -83.2893 -76.0015 -345.366 -175.175 -253.305 -394.433 PRESSAVG: 2499800 66.7125 -27.1461 -93.2734 -27.1461 -57.8998 30.2002 -93.2733 30.2002 5.28633 GPRESSAVG: 2499800 66.0585 -27.1216 -92.7762 -25.9758 -58.6735 30.5335 -93.6035 29.5355 6.13692 TIMING: 2499800 CPU: 7901.4, 0.00315107/step Wall: 7901.4, 0.00315107/step, 2.18842 hours remaining, 239.125000 MB of memory in use. ENERGY: 2499800 4033.5690 20481.3394 14421.5583 250.9390 -203252.7911 2502.1732 0.0000 0.0000 52090.8211 -109472.3911 299.3667 -161563.2121 -109099.9027 299.0734 -419.3268 -393.0432 761723.3718 4.6997 4.5073 PRESSURE: 2500000 39.714 11.5294 45.4108 11.5294 -75.2248 -61.5484 45.4106 -61.548 130.341 GPRESSURE: 2500000 75.9409 -21.0806 -22.6458 -41.4579 18.6633 -17.2829 -30.9366 -90.6578 75.5144 PRESSAVG: 2500000 34.9242 9.15119 -14.0624 9.15119 -53.7635 19.6801 -14.0624 19.68 -1.25188 GPRESSAVG: 2500000 36.0414 7.93388 -12.6637 10.4879 -53.5654 20.5138 -15.0092 18.9803 -2.19408 TIMING: 2500000 CPU: 7902.03, 0.00314928/step Wall: 7902.03, 0.00314929/step, 2.187 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2500000 4022.6627 20682.6225 14432.6057 250.2717 -203199.3379 2413.4575 0.0000 0.0000 51945.2872 -109452.4306 298.5303 -161397.7178 -109102.6983 299.4092 31.6100 56.7062 760081.5744 -6.6971 -6.5727 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2500200 -226.068 131.847 16.8012 131.848 -317.512 -63.8547 16.8014 -63.853 -9.41163 GPRESSURE: 2500200 -95.8518 107.004 -37.5273 200.565 -378.093 -21.1939 32.4367 -93.3343 1.98837 PRESSAVG: 2500200 -15.7434 -18.7068 49.1776 -18.7068 -7.4847 -21.562 49.1776 -21.562 0.0199594 GPRESSAVG: 2500200 -15.5945 -16.4802 48.4809 -19.2781 -6.85072 -21.7976 48.0987 -21.1791 -0.46618 TIMING: 2500200 CPU: 7902.68, 0.00323793/step Wall: 7902.68, 0.00323793/step, 2.24838 hours remaining, 239.125000 MB of memory in use. ENERGY: 2500200 4067.0008 20417.5525 14506.1878 229.4132 -203457.4611 2642.7361 0.0000 0.0000 51842.0942 -109752.4766 297.9372 -161594.5708 -109395.1198 298.7054 -184.3306 -157.3190 759780.5751 -7.7360 -7.6371 LDB: ============= START OF LOAD BALANCING ============== 7915.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7915.08 LDB: =============== DONE WITH MIGRATION ================ 7915.08 LDB: ============= START OF LOAD BALANCING ============== 7915.39 LDB: Largest compute 7025 load 0.033443 is 17.1% of average load 0.195930 LDB: Average compute 0.004392 is 2.2% of average load 0.195930 LDB: TIME 7915.4 LOAD: AVG 0.19593 MAX 0.215598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 7915.4 LOAD: AVG 0.19593 MAX 0.215598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.25 MB LDB: TIME 7915.4 LOAD: AVG 0.19593 MAX 0.215598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7915.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7915.41 PRESSURE: 2500400 -194.036 11.2372 -241.23 11.2366 -85.7222 -77.4742 -241.229 -77.4749 -197.669 GPRESSURE: 2500400 -184.444 97.5183 -300.334 46.3934 -57.2273 -126.126 -106.12 44.6736 -135.494 PRESSAVG: 2500400 -56.6076 -4.26982 10.1659 -4.26981 28.331 6.67701 10.1659 6.67694 2.87597 GPRESSAVG: 2500400 -57.0607 -5.42863 11.0313 -3.42589 28.0547 5.90705 10.499 5.92845 3.85002 TIMING: 2500400 CPU: 7903.32, 0.00320839/step Wall: 7903.32, 0.00320839/step, 2.22769 hours remaining, 239.953125 MB of memory in use. ENERGY: 2500400 3995.0945 20408.7643 14490.6753 254.3896 -203610.6394 2727.0921 0.0000 0.0000 51989.6980 -109744.9257 298.7855 -161734.6237 -109366.2895 298.9429 -159.1423 -125.7218 760644.3396 -8.4669 -8.3853 PRESSURE: 2500600 127.321 -239.376 86.2439 -239.375 -39.3813 138.353 86.2436 138.353 -265.345 GPRESSURE: 2500600 91.4124 -130.799 104.408 -140.948 37.97 206.335 66.4042 176.957 -223.79 PRESSAVG: 2500600 -10.9989 43.606 -12.0321 43.606 5.76673 -30.7677 -12.0321 -30.7678 -6.17725 GPRESSAVG: 2500600 -9.73931 43.5728 -13.5112 41.7348 5.33478 -28.6609 -11.2982 -30.1477 -6.92049 TIMING: 2500600 CPU: 7903.95, 0.00312992/step Wall: 7903.95, 0.00312992/step, 2.17304 hours remaining, 239.953125 MB of memory in use. ENERGY: 2500600 3990.9117 20527.0148 14426.5843 238.8273 -203696.7394 2735.9256 0.0000 0.0000 52047.2647 -109730.2110 299.1163 -161777.4757 -109368.2945 298.7731 -59.1348 -31.4694 760569.7262 -3.8032 -3.7750 PRESSURE: 2500800 142.829 -37.2107 -116.629 -37.2102 -220.665 -159.076 -116.629 -159.077 -78.7691 GPRESSURE: 2500800 189.297 -104.442 -157.913 17.6967 -164.961 -216.438 -77.9545 -59.3869 -101.6 PRESSAVG: 2500800 -2.6862 -1.88503 -48.5534 -1.88505 -39.9745 -15.2732 -48.5535 -15.2732 -1.04988 GPRESSAVG: 2500800 -4.97055 -2.90476 -49.2804 -0.897809 -38.5474 -15.8743 -48.3297 -13.908 -0.506046 TIMING: 2500800 CPU: 7904.58, 0.00314244/step Wall: 7904.58, 0.00314244/step, 2.18156 hours remaining, 239.953125 MB of memory in use. ENERGY: 2500800 4076.8533 20523.4355 14422.9702 227.3703 -203468.8405 2649.1680 0.0000 0.0000 52151.2568 -109417.7864 299.7140 -161569.0432 -109062.6590 299.3354 -52.2015 -25.7545 760516.7929 -14.5702 -14.6747 PRESSURE: 2501000 102.958 84.4147 -32.9833 84.4145 -341.652 39.7038 -32.9823 39.7035 -176.253 GPRESSURE: 2501000 112.991 211.82 93.1992 98.0591 -291.558 50.7036 -82.0384 69.5475 -161.053 PRESSAVG: 2501000 68.0932 28.5935 11.5399 28.5935 -61.3269 -17.3532 11.5399 -17.3532 17.6633 GPRESSAVG: 2501000 69.6586 32.0532 14.0523 26.6578 -61.9602 -17.0924 10.2097 -19.4174 16.846 TIMING: 2501000 CPU: 7905.21, 0.00314457/step Wall: 7905.21, 0.00314457/step, 2.18285 hours remaining, 239.953125 MB of memory in use. ENERGY: 2501000 4002.9805 20483.0760 14455.4917 255.0772 -203144.6919 2581.3863 0.0000 0.0000 51811.3731 -109555.3071 297.7607 -161366.6802 -109192.5668 299.2395 -138.3157 -113.2065 762136.9620 8.1432 8.1815 PRESSURE: 2501200 112.013 -118.68 38.4861 -118.68 -3.35313 -10.0755 38.4859 -10.0753 -42.0363 GPRESSURE: 2501200 161.293 -178.904 75.6098 -97.4521 39.1812 -18.3794 -64.9778 25.2614 -60.7265 PRESSAVG: 2501200 -12.16 53.2209 0.805566 53.2209 -26.4927 -45.331 0.805602 -45.331 3.62542 GPRESSAVG: 2501200 -12.895 49.8954 -1.49216 54.7859 -25.9011 -45.0499 3.16318 -44.1194 3.39838 TIMING: 2501200 CPU: 7905.84, 0.00315953/step Wall: 7905.84, 0.00315953/step, 2.19307 hours remaining, 239.953125 MB of memory in use. ENERGY: 2501200 4014.8553 20600.3359 14486.9221 257.8422 -203890.1585 3057.0252 0.0000 0.0000 52040.0034 -109433.1744 299.0746 -161473.1778 -109073.2053 298.9563 22.2078 46.5825 761203.4833 -11.6758 -11.7992 PRESSURE: 2501400 -302.576 -101 -202.235 -101.001 -49.504 98.9282 -202.234 98.9276 -259.28 GPRESSURE: 2501400 -292.551 -81.0128 -175.674 -118.073 -12.0473 121.87 -160.75 -68.7672 -217.474 PRESSAVG: 2501400 26.167 16.9166 -64.4343 16.9166 -21.843 28.5689 -64.4343 28.5689 -22.8869 GPRESSAVG: 2501400 25.0184 17.9361 -63.4873 16.5675 -21.5675 28.2338 -66.3895 27.7546 -22.349 TIMING: 2501400 CPU: 7906.47, 0.00314232/step Wall: 7906.47, 0.00314232/step, 2.18095 hours remaining, 239.953125 MB of memory in use. ENERGY: 2501400 4018.2212 20558.1707 14386.6907 242.3465 -203292.8819 2740.4746 0.0000 0.0000 51891.3439 -109455.6343 298.2203 -161346.9782 -109098.3322 298.9189 -203.7865 -174.0240 762794.7304 -6.1876 -6.2994 PRESSURE: 2501600 296.44 84.3074 -7.10982 84.3071 490.719 62.501 -7.11058 62.5003 186.918 GPRESSURE: 2501600 172.092 22.1897 -67.2243 114.026 618.604 16.6951 -35.9849 106.858 255.442 PRESSAVG: 2501600 -12.7855 -24.7876 -25.3675 -24.7876 3.44023 23.5035 -25.3675 23.5036 -18.6787 GPRESSAVG: 2501600 -12.2566 -26.7259 -26.6255 -23.0412 2.9632 22.9462 -26.0145 24.3468 -19.0914 TIMING: 2501600 CPU: 7907.1, 0.00315176/step Wall: 7907.1, 0.00315176/step, 2.18732 hours remaining, 239.953125 MB of memory in use. ENERGY: 2501600 3879.8470 20546.7814 14472.5420 239.3081 -203342.5948 2837.8875 0.0000 0.0000 52080.0228 -109286.2060 299.3046 -161366.2288 -108910.8189 298.6737 324.6923 348.7128 761067.4763 -9.3413 -9.4616 PRESSURE: 2501800 -47.2489 31.7056 -213.85 31.7052 -186.041 -94.3979 -213.851 -94.3988 144.45 GPRESSURE: 2501800 26.8902 200.023 -185.718 60.1256 -206.094 -104.373 -74.0413 -139.915 174.166 PRESSAVG: 2501800 20.3035 -3.91515 -39.8327 -3.91518 -13.5195 -26.2862 -39.8327 -26.2862 -0.817114 GPRESSAVG: 2501800 19.7364 -3.97507 -39.6436 -5.89776 -14.0715 -24.0654 -38.7252 -27.8873 0.316423 TIMING: 2501800 CPU: 7907.72, 0.0031261/step Wall: 7907.72, 0.00312609/step, 2.16934 hours remaining, 239.953125 MB of memory in use. ENERGY: 2501800 3919.3470 20345.0760 14397.2265 254.4748 -202874.9267 2363.0178 0.0000 0.0000 52267.4277 -109328.3570 300.3816 -161595.7846 -108962.6376 299.1823 -29.6133 -1.6793 761903.8112 1.9890 1.9938 PRESSURE: 2502000 12.9918 102.548 21.2083 102.548 278.616 -157.07 21.2085 -157.069 539.256 GPRESSURE: 2502000 129.261 36.2102 93.052 218.204 259.302 -177.411 82.5989 -225.607 545.354 PRESSAVG: 2502000 0.868815 17.6617 -45.2582 17.6617 21.7586 -24.9059 -45.2582 -24.9059 -16.1236 GPRESSAVG: 2502000 2.58308 19.6653 -45.3046 19.5016 21.7855 -27.8147 -44.8905 -24.3365 -17.4433 TIMING: 2502000 CPU: 7908.35, 0.00315077/step Wall: 7908.35, 0.00315077/step, 2.18628 hours remaining, 239.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2502000 3922.1349 20423.9203 14424.4229 237.0936 -203425.3666 2911.6474 0.0000 0.0000 52095.4531 -109410.6943 299.3933 -161506.1474 -109050.8527 298.9307 276.9548 311.3055 762259.2736 2.1679 2.3084 PRESSURE: 2502200 -223.079 -101.114 -58.0565 -101.114 -67.1067 245.066 -58.0554 245.067 -134.804 GPRESSURE: 2502200 -163.148 -63.6645 -86.9656 -149.734 -94.4044 144.021 -67.5817 222.524 -90.9713 PRESSAVG: 2502200 -1.09483 -19.2678 -47.4042 -19.2678 24.7463 22.6544 -47.4042 22.6544 25.0064 GPRESSAVG: 2502200 -1.62241 -20.6391 -47.2768 -18.9826 23.0384 24.2848 -48.3897 21.2519 26.871 TIMING: 2502200 CPU: 7908.98, 0.00314783/step Wall: 7908.98, 0.00314783/step, 2.18407 hours remaining, 239.953125 MB of memory in use. ENERGY: 2502200 4009.6687 20488.1125 14419.3388 241.9086 -203177.9724 2471.5056 0.0000 0.0000 52024.4651 -109522.9731 298.9853 -161547.4383 -109169.6394 299.3407 -141.6631 -116.1745 761548.6867 16.2193 16.0957 PRESSURE: 2502400 235.874 129.649 113.056 129.65 72.8513 183.673 113.056 183.672 402.555 GPRESSURE: 2502400 284.839 151.377 154.894 147.545 121.38 109.39 110.418 288.706 388.209 PRESSAVG: 2502400 -54.7496 2.08478 -4.8949 2.08477 30.3211 30.1487 -4.89483 30.1487 -16.3248 GPRESSAVG: 2502400 -55.4943 2.56429 -4.08007 0.801649 32.3019 29.1836 -5.42317 30.7849 -17.18 TIMING: 2502400 CPU: 7909.61, 0.00315732/step Wall: 7909.61, 0.00315732/step, 2.19048 hours remaining, 239.953125 MB of memory in use. ENERGY: 2502400 3926.9982 20330.0999 14378.7727 240.4293 -203487.8620 2766.8023 0.0000 0.0000 52333.3416 -109511.4180 300.7604 -161844.7596 -109145.1507 299.4048 237.0932 264.8094 760838.3418 -13.5844 -13.4575 PRESSURE: 2502600 1.27687 -192.415 -266.451 -192.415 -68.4338 82.7188 -266.452 82.7174 -77.1905 GPRESSURE: 2502600 100.196 -192.317 -243.679 -234.326 -19.308 20.1883 -210.8 139.303 -144.706 PRESSAVG: 2502600 -3.71897 37.8227 -13.6902 37.8228 2.27945 -61.4136 -13.6902 -61.4135 10.5932 GPRESSAVG: 2502600 -3.26229 37.5221 -12.0103 37.5303 2.91471 -61.2835 -13.7534 -60.3358 9.3496 TIMING: 2502600 CPU: 7910.24, 0.00315941/step Wall: 7910.24, 0.00315941/step, 2.19175 hours remaining, 239.953125 MB of memory in use. ENERGY: 2502600 3903.3765 20519.0719 14401.8401 236.4142 -203533.8754 2757.9883 0.0000 0.0000 51890.3182 -109824.8662 298.2144 -161715.1844 -109468.7034 298.6791 -48.1158 -21.2727 761459.0443 3.0512 3.0007 PRESSURE: 2502800 291.63 -5.99325 101.07 -5.99276 199.454 26.1304 101.07 26.1306 351.131 GPRESSURE: 2502800 343.524 109.124 85.4001 36.6794 268.022 -26.4589 75.9973 63.9526 314.037 PRESSAVG: 2502800 14.0456 20.0713 31.0739 20.0714 -3.063 -15.9025 31.0739 -15.9024 0.734494 GPRESSAVG: 2502800 13.9031 22.6922 30.3355 19.8238 -3.64487 -14.5283 29.2934 -17.1707 1.37197 TIMING: 2502800 CPU: 7910.87, 0.00314712/step Wall: 7910.87, 0.00314712/step, 2.18305 hours remaining, 239.953125 MB of memory in use. ENERGY: 2502800 4056.2055 20591.3760 14413.9891 212.7008 -203679.5849 2680.7219 0.0000 0.0000 52062.0246 -109662.5670 299.2012 -161724.5916 -109302.5165 298.8643 280.7383 308.5277 759451.0541 3.9057 3.8767 PRESSURE: 2503000 -122.605 85.2258 182.491 85.2254 -175.823 -182.488 182.49 -182.487 184.197 GPRESSURE: 2503000 -44.4337 2.63581 58.3414 24.713 -159.876 -248.228 50.9668 -277.076 157.463 PRESSAVG: 2503000 52.1944 -14.0968 -74.6216 -14.0968 -71.94 -52.4679 -74.6216 -52.4679 10.096 GPRESSAVG: 2503000 52.9486 -15.8626 -75.7495 -14.8989 -72.7688 -53.1371 -72.1241 -52.8596 10.6132 TIMING: 2503000 CPU: 7911.5, 0.00314186/step Wall: 7911.5, 0.00314186/step, 2.17923 hours remaining, 239.953125 MB of memory in use. ENERGY: 2503000 4017.5560 20483.1382 14390.5122 231.5014 -202969.7922 2323.3257 0.0000 0.0000 52032.3489 -109491.4098 299.0306 -161523.7587 -109130.6910 299.2460 -38.0767 -15.6158 761605.9228 -3.2165 -3.0690 PRESSURE: 2503200 175.234 10.947 67.7451 10.9464 340.059 -80.1741 67.7449 -80.1759 -279.001 GPRESSURE: 2503200 231.609 -25.2582 36.0495 38.8637 407.952 -47.486 70.7652 -39.7075 -332.946 PRESSAVG: 2503200 -34.7244 -11.3981 0.0686143 -11.3981 78.2596 -42.2127 0.0686488 -42.2127 -2.04999 GPRESSAVG: 2503200 -34.8344 -9.19009 1.22237 -12.5371 79.2332 -40.9179 -0.866784 -40.4592 -2.32085 TIMING: 2503200 CPU: 7912.13, 0.00314783/step Wall: 7912.13, 0.00314783/step, 2.18319 hours remaining, 239.953125 MB of memory in use. ENERGY: 2503200 3961.0592 20522.0501 14390.3801 252.4576 -203398.2723 2574.0051 0.0000 0.0000 52171.5264 -109526.7937 299.8305 -161698.3201 -109169.4209 299.2301 78.7638 102.2049 759890.4544 13.8284 14.0260 PRESSURE: 2503400 100.007 -9.61084 -14.3845 -9.61073 -109.643 176.476 -14.384 176.476 166.027 GPRESSURE: 2503400 109.326 25.6593 6.40535 -17.5911 -2.89695 140.46 -14.2013 292.515 133.893 PRESSAVG: 2503400 -46.4506 7.34549 56.1444 7.34549 13.2774 46.65 56.1444 46.6501 -18.0044 GPRESSAVG: 2503400 -47.2023 6.20958 55.3827 9.73295 14.2991 45.7001 56.0666 45.8173 -18.3531 TIMING: 2503400 CPU: 7912.76, 0.00312958/step Wall: 7912.76, 0.00312958/step, 2.17037 hours remaining, 239.953125 MB of memory in use. ENERGY: 2503400 3992.6040 20499.9877 14482.6480 250.2756 -203362.4911 2614.1795 0.0000 0.0000 51948.2918 -109574.5046 298.5475 -161522.7964 -109213.4802 298.9390 52.1304 80.1075 759727.8314 -17.0592 -17.0854 PRESSURE: 2503600 -107.069 88.9664 73.6994 88.9665 52.5701 146.465 73.6981 146.465 423.757 GPRESSURE: 2503600 -56.3297 138.123 97.4163 53.5504 51.0577 117.297 73.7879 21.6539 456.591 PRESSAVG: 2503600 -10.5974 27.2668 58.7804 27.2668 -0.69852 9.32454 58.7804 9.32464 18.9109 GPRESSAVG: 2503600 -10.7602 28.8215 59.1737 25.5547 -1.19728 10.535 59.9923 6.42923 20.0211 TIMING: 2503600 CPU: 7913.39, 0.00313387/step Wall: 7913.39, 0.00313387/step, 2.17316 hours remaining, 239.953125 MB of memory in use. ENERGY: 2503600 3939.7694 20548.3960 14478.8365 255.0141 -203056.3297 2329.1215 0.0000 0.0000 51934.3987 -109570.7934 298.4677 -161505.1921 -109205.2510 298.6748 123.0859 150.4398 760600.6040 2.5383 2.6879 PRESSURE: 2503800 -22.0486 67.6675 -62.0866 67.667 19.9446 -30.6503 -62.0873 -30.6506 5.86838 GPRESSURE: 2503800 -10.5804 107.152 -174.711 112.948 40.7017 -22.7303 -115.067 115.869 51.1633 PRESSAVG: 2503800 -13.8846 -9.43201 5.43741 -9.432 30.992 -1.17164 5.43747 -1.17167 11.2765 GPRESSAVG: 2503800 -13.2506 -12.8158 5.54288 -8.0556 30.0365 0.335669 4.16947 0.889274 11.5075 TIMING: 2503800 CPU: 7914.02, 0.00315093/step Wall: 7914.02, 0.00315093/step, 2.18482 hours remaining, 239.953125 MB of memory in use. ENERGY: 2503800 3953.9620 20551.7205 14337.9896 221.4824 -203122.1713 2598.8590 0.0000 0.0000 51831.1027 -109627.0552 297.8741 -161458.1579 -109255.8313 298.8054 1.2548 27.0949 760858.6979 9.4613 9.4311 PRESSURE: 2504000 -159.472 101.254 45.3255 101.254 -158.831 60.8091 45.3251 60.8097 89.2411 GPRESSURE: 2504000 -209.127 218.18 62.7417 78.3362 -65.4952 129.501 33.4382 -106.646 111.958 PRESSAVG: 2504000 -71.4982 -52.2665 -9.84285 -52.2666 1.39383 -0.485208 -9.84287 -0.485229 1.01593 GPRESSAVG: 2504000 -71.1577 -50.6948 -10.9789 -51.5911 1.13413 -2.78793 -7.0491 -1.30048 0.563275 TIMING: 2504000 CPU: 7914.65, 0.00315086/step Wall: 7914.65, 0.00315086/step, 2.18459 hours remaining, 239.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2504000 4047.5845 20365.0238 14367.3680 214.7582 -203118.0588 2436.0798 0.0000 0.0000 52112.4477 -109574.7968 299.4910 -161687.2445 -109197.5886 298.6140 -76.3539 -54.2213 760755.3828 -23.0295 -23.1534 PRESSURE: 2504200 -97.1285 96.8341 -239.621 96.8337 395.351 -31.0336 -239.622 -31.0334 462.616 GPRESSURE: 2504200 78.7506 160.321 -252.817 -10.0769 322.626 -57.1343 -243.764 -12.3162 451.763 PRESSAVG: 2504200 31.4124 -6.77226 8.34933 -6.77223 -24.0213 22.3279 8.34922 22.3279 -8.26055 GPRESSAVG: 2504200 31.1144 -5.68859 10.0257 -7.09397 -23.1522 19.6429 4.99182 24.4751 -8.62164 TIMING: 2504200 CPU: 7915.28, 0.00315528/step Wall: 7915.28, 0.00315528/step, 2.18749 hours remaining, 239.953125 MB of memory in use. ENERGY: 2504200 4041.4262 20322.6819 14334.2174 243.7899 -203380.2957 2756.3497 0.0000 0.0000 52091.4623 -109590.3683 299.3703 -161681.8306 -109224.1012 299.0996 253.6130 284.3797 759173.3363 -0.2898 -0.2198 LDB: ============= START OF LOAD BALANCING ============== 7927.67 LDB: ============== END OF LOAD BALANCING =============== 7927.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7927.68 LDB: ============= START OF LOAD BALANCING ============== 7927.99 LDB: Largest compute 7077 load 0.034715 is 17.7% of average load 0.196037 LDB: Average compute 0.004381 is 2.2% of average load 0.196037 LDB: TIME 7927.99 LOAD: AVG 0.196037 MAX 0.219222 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.012 MB LDB: TIME 7927.99 LOAD: AVG 0.196037 MAX 0.219222 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.082 MB LDB: TIME 7927.99 LOAD: AVG 0.196037 MAX 0.219222 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.082 MB LDB: ============== END OF LOAD BALANCING =============== 7928 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7928 PRESSURE: 2504400 201.488 -35.2268 -131.572 -35.2282 203.31 72.9516 -131.573 72.9507 101.437 GPRESSURE: 2504400 136.804 65.9517 -12.7156 29.933 283.195 -47.3052 -169.29 -66.3524 187.913 PRESSAVG: 2504400 -7.4009 -28.4277 -40.6747 -28.4277 18.3621 12.4691 -40.6747 12.4691 15.3517 GPRESSAVG: 2504400 -6.88576 -29.7477 -41.8122 -28.3237 17.9349 14.0702 -38.055 11.4715 15.8609 TIMING: 2504400 CPU: 7915.92, 0.00321169/step Wall: 7915.92, 0.00321169/step, 2.22641 hours remaining, 238.601562 MB of memory in use. ENERGY: 2504400 3971.0008 20569.2116 14387.1318 252.9225 -203542.4962 2654.7913 0.0000 0.0000 52086.4810 -109620.9572 299.3417 -161707.4382 -109261.8814 298.9091 168.7447 202.6375 759349.5310 8.7710 8.9700 PRESSURE: 2504600 199.541 -69.2369 -249.301 -69.2375 182.76 -140.258 -249.301 -140.26 396.355 GPRESSURE: 2504600 269.846 -230.908 -206.788 -73.2207 235.885 -46.4475 -171.073 -92.5951 363.749 PRESSAVG: 2504600 45.4249 -63.7211 -27.4968 -63.7211 -10.4811 41.8485 -27.4968 41.8485 -15.8379 GPRESSAVG: 2504600 43.4958 -65.0849 -26.6502 -65.3896 -9.45955 41.7145 -30.8814 40.1764 -14.7182 TIMING: 2504600 CPU: 7916.55, 0.00314992/step Wall: 7916.55, 0.00314992/step, 2.18342 hours remaining, 238.601562 MB of memory in use. ENERGY: 2504600 3829.7734 20498.0166 14421.5038 252.3334 -203553.9120 2736.6969 0.0000 0.0000 52209.0563 -109606.5316 300.0462 -161815.5878 -109234.1776 299.1962 259.5522 289.8268 759643.0865 6.3686 6.4394 PRESSURE: 2504800 -2.23663 69.3817 73.3624 69.3815 -380.657 -24.0305 73.3627 -24.0315 -270.625 GPRESSURE: 2504800 -87.4312 100.789 149.416 39.3267 -240.779 -57.6489 34.8194 43.3998 -243.044 PRESSAVG: 2504800 -59.3071 -38.8287 29.7774 -38.8287 76.8988 -1.15462 29.7775 -1.15457 5.19874 GPRESSAVG: 2504800 -57.9441 -38.3771 30.4339 -37.9889 76.1897 1.70471 30.6835 0.72954 4.47769 TIMING: 2504800 CPU: 7917.18, 0.00316125/step Wall: 7917.18, 0.00316125/step, 2.1911 hours remaining, 238.601562 MB of memory in use. ENERGY: 2504800 4000.3549 20466.7808 14374.4817 228.0750 -203556.5607 2567.3714 0.0000 0.0000 52545.8466 -109373.6503 301.9817 -161919.4969 -109006.3604 299.7259 -217.8398 -190.4182 761041.6426 7.5968 7.5744 PRESSURE: 2505000 -74.5589 -194.693 -147.353 -194.693 350.245 -18.139 -147.352 -18.14 -230.517 GPRESSURE: 2505000 77.4978 -99.4418 -148.701 -98.8964 345.561 30.4814 -177.317 12.1144 -284.334 PRESSAVG: 2505000 -16.2911 1.51423 -12.7999 1.51427 7.15662 -2.30338 -12.7999 -2.30336 6.06519 GPRESSAVG: 2505000 -15.1157 2.02308 -13.8764 0.926874 5.81045 -4.13056 -11.0826 -3.8455 6.15617 TIMING: 2505000 CPU: 7917.82, 0.0031715/step Wall: 7917.82, 0.0031715/step, 2.19803 hours remaining, 238.601562 MB of memory in use. ENERGY: 2505000 3996.4566 20431.1429 14488.1506 241.1325 -202712.3129 2522.9722 0.0000 0.0000 51649.0478 -109383.4103 296.8278 -161032.4581 -109020.7874 299.4166 15.0564 46.2416 763107.1623 -1.0231 -1.0497 PRESSURE: 2505200 -50.2217 188.09 337.04 188.088 -177.906 44.9489 337.039 44.9486 36.9012 GPRESSURE: 2505200 -100.881 121.489 400.057 234.577 -36.5694 34.5959 306.006 33.517 55.7607 PRESSAVG: 2505200 2.24944 -47.1258 -69.476 -47.1259 -47.7585 -13.9335 -69.476 -13.9334 -3.04373 GPRESSAVG: 2505200 0.595926 -49.482 -69.2729 -45.8751 -45.8639 -14.2678 -69.8553 -13.9037 -3.0387 TIMING: 2505200 CPU: 7918.45, 0.00314973/step Wall: 7918.45, 0.00314973/step, 2.18276 hours remaining, 238.601562 MB of memory in use. ENERGY: 2505200 4049.1977 20385.0109 14365.1830 238.5158 -202383.2926 2256.7533 0.0000 0.0000 51995.9362 -109092.6957 298.8214 -161088.6319 -108724.2407 299.3822 -63.7422 -27.2299 762155.1846 -16.1843 -16.1022 PRESSURE: 2505400 -179.608 -127.899 -118.972 -127.899 -60.0153 9.17558 -118.973 9.17524 -341.473 GPRESSURE: 2505400 -209.667 -129.492 -137.34 -180.582 -20.1754 -16.9916 -84.3627 40.7967 -288.98 PRESSAVG: 2505400 -59.5457 -43.4265 -60.4255 -43.4265 37.954 -17.7451 -60.4254 -17.745 30.4018 GPRESSAVG: 2505400 -59.1071 -41.0576 -60.8226 -45.0705 37.8693 -17.9577 -59.86 -16.2099 30.2735 TIMING: 2505400 CPU: 7919.08, 0.00316409/step Wall: 7919.08, 0.00316409/step, 2.19254 hours remaining, 238.601562 MB of memory in use. ENERGY: 2505400 4010.4927 20747.9542 14451.2270 239.2323 -203109.2499 2431.0510 0.0000 0.0000 52225.4045 -109003.8882 300.1401 -161229.2928 -108644.7466 300.2086 -193.6986 -172.9406 761266.9876 2.9367 3.0119 PRESSURE: 2505600 176.304 -50.8673 -35.9646 -50.8672 164.464 97.9504 -35.9649 97.9508 279.766 GPRESSURE: 2505600 225.092 51.9571 66.4905 -32.1054 96.3499 108.381 -213.497 57.4541 387.495 PRESSAVG: 2505600 7.69084 -22.1593 -19.5857 -22.1592 18.8539 -20.9869 -19.5858 -20.9869 11.0598 GPRESSAVG: 2505600 7.65349 -23.9974 -18.6942 -22.9042 17.55 -21.4575 -21.0735 -21.3721 12.1329 TIMING: 2505600 CPU: 7919.71, 0.00315261/step Wall: 7919.71, 0.00315261/step, 2.18441 hours remaining, 238.601562 MB of memory in use. ENERGY: 2505600 3971.8047 20565.8844 14415.3017 271.3717 -203592.4990 2856.4395 0.0000 0.0000 52172.9774 -109338.7197 299.8388 -161511.6970 -108981.3538 300.1229 206.8446 236.3121 760165.0220 12.5348 12.4454 PRESSURE: 2505800 -136.834 -137.181 -183.37 -137.181 24.5922 -50.9296 -183.369 -50.929 115.148 GPRESSURE: 2505800 -45.1366 -162.754 -145.625 -75.2034 47.6639 -9.74287 -165.656 -169.068 94.003 PRESSAVG: 2505800 -24.5915 -27.963 -9.5923 -27.963 62.0662 -15.9479 -9.59238 -15.9478 9.0925 GPRESSAVG: 2505800 -24.3826 -26.7401 -10.0064 -27.0964 63.2684 -14.942 -10.8468 -17.4589 7.69207 TIMING: 2505800 CPU: 7920.34, 0.00315531/step Wall: 7920.34, 0.00315531/step, 2.18611 hours remaining, 238.601562 MB of memory in use. ENERGY: 2505800 3986.5386 20592.5181 14399.1676 261.3471 -203030.9952 2506.5917 0.0000 0.0000 51969.2963 -109315.5357 298.6683 -161284.8320 -108960.5996 299.7691 0.9687 32.1768 759675.0725 15.5224 15.5260 PRESSURE: 2506000 56.5075 173.047 -61.1108 173.046 162.118 -40.6117 -61.1101 -40.6115 -278.22 GPRESSURE: 2506000 136.175 122.279 -78.7661 160.712 145.925 -60.0416 -80.8799 -16.7379 -256.781 PRESSAVG: 2506000 12.439 -61.9887 1.52898 -61.9887 -3.55054 8.77527 1.52891 8.77527 -4.82188 GPRESSAVG: 2506000 12.9283 -62.0159 0.26677 -62.4471 -4.19474 7.68573 4.14651 9.9782 -4.25254 TIMING: 2506000 CPU: 7920.97, 0.0031633/step Wall: 7920.97, 0.0031633/step, 2.19146 hours remaining, 238.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2506000 3927.0279 20619.5025 14332.4152 246.3719 -203214.6889 2682.4087 0.0000 0.0000 52315.3294 -109091.6333 300.6569 -161406.9627 -108729.4962 300.1174 -19.8649 8.4397 761580.5205 1.3555 1.4937 PRESSURE: 2506200 -136.798 -78.9906 -4.13307 -78.9899 18.5413 212.787 -4.1327 212.786 -116.214 GPRESSURE: 2506200 -151.955 -110.975 -90.0612 2.57191 132.231 140.127 -12.4286 305.348 -121.065 PRESSAVG: 2506200 -14.6157 -25.4097 -9.14484 -25.4097 33.7225 -10.0999 -9.14479 -10.0999 13.4107 GPRESSAVG: 2506200 -15.2359 -26.2767 -9.1031 -23.807 33.8707 -10.4757 -8.36827 -8.68442 13.7023 TIMING: 2506200 CPU: 7921.6, 0.00313811/step Wall: 7921.6, 0.00313811/step, 2.17384 hours remaining, 238.601562 MB of memory in use. ENERGY: 2506200 3966.5812 20609.9298 14423.6573 229.7209 -202770.2647 2330.0644 0.0000 0.0000 52221.5206 -108988.7905 300.1178 -161210.3111 -108627.0670 300.9989 -78.1567 -46.9298 759632.7884 10.8392 10.7791 PRESSURE: 2506400 104.83 -71.8062 36.1105 -71.8056 40.6292 -202.468 36.1108 -202.467 297.158 GPRESSURE: 2506400 83.5863 -77.161 11.0022 -33.6854 168.14 -201.835 -43.103 -180.837 276.21 PRESSAVG: 2506400 -20.8059 -57.0741 -17.1164 -57.0741 25.8215 -4.3466 -17.1164 -4.34664 -12.878 GPRESSAVG: 2506400 -21.1755 -56.9074 -17.5349 -58.667 26.2776 -4.71072 -19.364 -4.30924 -13.7601 TIMING: 2506400 CPU: 7922.23, 0.00316197/step Wall: 7922.23, 0.00316197/step, 2.19019 hours remaining, 238.601562 MB of memory in use. ENERGY: 2506400 3991.1156 20500.8443 14426.3336 245.1431 -203419.4128 2747.9646 0.0000 0.0000 52405.1965 -109102.8151 301.1734 -161508.0116 -108739.2849 300.5015 147.5393 175.9787 759532.9864 -2.6208 -2.8860 PRESSURE: 2506600 141.295 24.418 -163.308 24.4185 101.763 29.2438 -163.307 29.243 356.701 GPRESSURE: 2506600 190.295 -32.8761 -142.352 -6.45224 129.068 89.7623 -160.903 -80.4214 363.22 PRESSAVG: 2506600 -44.3198 -54.299 -17.5667 -54.299 44.6189 -44.2765 -17.5667 -44.2764 7.15737 GPRESSAVG: 2506600 -44.3617 -55.1658 -16.1202 -53.465 43.8533 -43.6915 -15.8022 -45.6995 8.13639 TIMING: 2506600 CPU: 7922.87, 0.00319125/step Wall: 7922.87, 0.00319125/step, 2.21029 hours remaining, 238.601562 MB of memory in use. ENERGY: 2506600 3966.2300 20611.1891 14491.9602 247.8880 -203302.8583 2644.0353 0.0000 0.0000 52192.6830 -109148.8728 299.9521 -161341.5558 -108789.6969 300.6579 199.9200 227.5277 758545.0732 2.4855 2.5427 PRESSURE: 2506800 -107.336 -26.2772 122.557 -26.277 -172.291 1.61223 122.557 1.61222 62.8946 GPRESSURE: 2506800 -22.4686 -26.2152 112.161 -44.7621 -158.016 -5.02768 60.2691 16.783 66.0252 PRESSAVG: 2506800 -4.43347 -38.0418 2.49852 -38.0417 4.49342 -11.3663 2.49856 -11.3663 2.67626 GPRESSAVG: 2506800 -4.69135 -37.7842 4.45983 -39.1756 4.33712 -11.6284 1.66444 -11.596 3.49126 TIMING: 2506800 CPU: 7923.51, 0.00317314/step Wall: 7923.51, 0.00317314/step, 2.19758 hours remaining, 238.601562 MB of memory in use. ENERGY: 2506800 4047.6064 20705.7036 14427.2727 249.4325 -203147.1228 2440.5408 0.0000 0.0000 52143.5006 -109133.0662 299.6694 -161276.5667 -108767.1567 300.5157 -72.2442 -38.1532 760950.1726 0.9121 1.0457 PRESSURE: 2507000 -127.411 59.411 -237.204 59.4112 127.147 255.421 -237.204 255.421 134.78 GPRESSURE: 2507000 -29.841 120.559 -248.185 28.0961 151.966 242.175 -265.693 92.5049 92.2478 PRESSAVG: 2507000 -30.5962 -14.6449 17.9018 -14.6448 13.4821 0.924576 17.9018 0.924588 -4.69625 GPRESSAVG: 2507000 -29.5101 -13.4724 15.4382 -14.2923 12.8957 1.31719 17.3478 2.94302 -4.9634 TIMING: 2507000 CPU: 7924.14, 0.00316941/step Wall: 7924.14, 0.00316941/step, 2.19481 hours remaining, 238.601562 MB of memory in use. ENERGY: 2507000 4017.0713 20559.9987 14486.5468 246.5661 -203112.4227 2464.6215 0.0000 0.0000 52363.6865 -108973.9317 300.9348 -161337.6182 -108603.7615 300.6208 44.8385 71.4576 760564.7051 -7.2701 -7.1926 PRESSURE: 2507200 -167.433 -15.3104 -44.2637 -15.3104 250.853 -185.74 -44.2648 -185.742 172.936 GPRESSURE: 2507200 -231.162 100.005 -11.5243 -73.1209 323.365 -209.414 -21.2752 -249.287 235.649 PRESSAVG: 2507200 8.61252 -35.0358 -60.8577 -35.0358 3.92851 -24.1354 -60.8577 -24.1354 17.1457 GPRESSAVG: 2507200 8.88435 -35.2466 -60.8434 -34.3969 4.19527 -22.7685 -59.0659 -27.2624 17.0777 TIMING: 2507200 CPU: 7924.77, 0.00316783/step Wall: 7924.77, 0.00316783/step, 2.19355 hours remaining, 238.601562 MB of memory in use. ENERGY: 2507200 4036.4648 20454.4776 14439.6359 257.0972 -202990.1673 2496.4235 0.0000 0.0000 52315.0407 -108991.0276 300.6553 -161306.0683 -108620.9396 300.5713 85.4519 109.2836 761993.7303 9.8956 10.0524 PRESSURE: 2507400 18.436 45.7824 14.5493 45.7824 -29.4954 -228.771 14.5494 -228.771 353.553 GPRESSURE: 2507400 98.2824 -2.81382 -48.7169 94.9529 -42.1145 -214.827 0.998505 -267.985 366.901 PRESSAVG: 2507400 42.3833 3.52836 43.5094 3.52838 -6.65936 -35.5286 43.5094 -35.5286 -11.0013 GPRESSAVG: 2507400 42.5566 2.108 43.5103 2.30778 -6.6219 -36.9935 43.9252 -32.3236 -11.0077 TIMING: 2507400 CPU: 7925.41, 0.00318128/step Wall: 7925.41, 0.00318128/step, 2.20268 hours remaining, 238.601562 MB of memory in use. ENERGY: 2507400 3955.6739 20495.6861 14439.9548 259.5594 -203234.9527 2612.4986 0.0000 0.0000 52393.0514 -109078.5286 301.1036 -161471.5799 -108704.8845 300.3136 114.1644 141.0229 760707.5931 8.2409 8.3090 PRESSURE: 2507600 -117.594 -126.416 44.4035 -126.416 256.609 -36.6438 44.4036 -36.644 -141.824 GPRESSURE: 2507600 -8.49858 44.1484 -44.406 -56.2582 211.25 -9.41819 35.7669 -17.1012 -115.48 PRESSAVG: 2507600 -6.07331 -28.2892 24.0791 -28.2892 -25.3227 -19.4748 24.0791 -19.4748 -10.7457 GPRESSAVG: 2507600 -6.70794 -28.5928 24.9076 -26.8462 -25.6114 -19.2673 23.196 -21.0388 -10.2804 TIMING: 2507600 CPU: 7926.04, 0.00315905/step Wall: 7926.04, 0.00315905/step, 2.18712 hours remaining, 238.601562 MB of memory in use. ENERGY: 2507600 3949.0905 20720.9262 14409.6341 245.1344 -202772.1623 2319.0594 0.0000 0.0000 51960.5026 -109167.8150 298.6177 -161128.3176 -108815.4026 299.9789 -0.9361 29.0903 761513.8141 -14.0472 -14.1999 PRESSURE: 2507800 -82.0838 -127.942 -157.001 -127.942 -73.2592 -299.032 -157.002 -299.032 -69.9866 GPRESSURE: 2507800 30.0615 -156.571 -198.924 -181.486 -56.0454 -276.396 -125.636 -285.773 -106.644 PRESSAVG: 2507800 -18.8067 3.35458 10.5789 3.35462 14.8006 -13.9311 10.579 -13.9311 -14.583 GPRESSAVG: 2507800 -18.5038 3.325 10.3941 1.67538 16.06 -14.5905 11.8274 -12.8306 -16.0072 TIMING: 2507800 CPU: 7926.68, 0.00317873/step Wall: 7926.68, 0.00317873/step, 2.20057 hours remaining, 238.601562 MB of memory in use. ENERGY: 2507800 4005.3605 20570.4661 14414.3058 243.3324 -203163.9526 2623.7782 0.0000 0.0000 52160.8801 -109145.8297 299.7693 -161306.7098 -108773.2643 300.2178 -75.1099 -44.2092 760067.3938 -6.1964 -6.1503 PRESSURE: 2508000 -395.315 -222.518 -191.104 -222.517 -271.621 -67.5877 -191.104 -67.5887 -275.118 GPRESSURE: 2508000 -364.921 -282.073 -171.298 -208.535 -283.772 7.91385 -296.884 -7.87599 -216.231 PRESSAVG: 2508000 -37.5383 -23.9496 -7.66299 -23.9497 33.1561 -81.9332 -7.66294 -81.9331 -3.20169 GPRESSAVG: 2508000 -37.9717 -24.1173 -9.35542 -23.4441 33.5529 -81.1372 -8.52368 -82.134 -2.35568 TIMING: 2508000 CPU: 7927.31, 0.00314994/step Wall: 7927.31, 0.00314994/step, 2.18046 hours remaining, 238.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2508000 4095.5836 20611.7558 14448.9785 243.4061 -202964.6769 2507.7700 0.0000 0.0000 51977.4630 -109079.7198 298.7152 -161057.1828 -108718.0872 300.0512 -314.0180 -288.3081 761357.1828 -2.5280 -2.2582 PRESSURE: 2508200 -243.445 -86.0732 30.6115 -86.0736 2.76863 -65.8537 30.6107 -65.8528 -62.0052 GPRESSURE: 2508200 -244.409 -206.015 21.188 -38.773 99.0191 -110.519 77.1964 -95.9793 -84.8967 PRESSAVG: 2508200 -51.2585 36.5086 -7.11927 36.5087 57.5568 -91.9296 -7.11923 -91.9296 -18.0363 GPRESSAVG: 2508200 -51.0347 37.0403 -5.27896 37.8349 56.622 -91.6867 -8.31287 -92.9603 -17.6252 TIMING: 2508200 CPU: 7927.94, 0.00317804/step Wall: 7927.94, 0.00317803/step, 2.19973 hours remaining, 238.601562 MB of memory in use. ENERGY: 2508200 4018.9152 20523.7369 14444.5800 258.6735 -202923.0148 2383.5468 0.0000 0.0000 52219.0732 -109074.4891 300.1037 -161293.5622 -108698.6528 300.0397 -100.8938 -76.7622 761235.4973 -3.9127 -4.0127 LDB: ============= START OF LOAD BALANCING ============== 7940.34 LDB: ============== END OF LOAD BALANCING =============== 7940.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7940.34 LDB: ============= START OF LOAD BALANCING ============== 7940.66 LDB: Largest compute 7058 load 0.034953 is 17.8% of average load 0.195879 LDB: Average compute 0.004406 is 2.2% of average load 0.195879 LDB: TIME 7940.66 LOAD: AVG 0.195879 MAX 0.216536 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.465 MB LDB: TIME 7940.67 LOAD: AVG 0.195879 MAX 0.216536 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.535 MB LDB: TIME 7940.67 LOAD: AVG 0.195879 MAX 0.216536 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7940.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7940.67 PRESSURE: 2508400 250.456 -5.92503 114.348 -5.92418 205.852 -32.6432 114.348 -32.6426 235.394 GPRESSURE: 2508400 293.588 -47.8107 198.419 1.74946 229.054 -6.66961 66.814 -66.0735 235.898 PRESSAVG: 2508400 -22.5573 38.3732 37.3982 38.3732 26.9085 -21.7512 37.3981 -21.7512 5.46418 GPRESSAVG: 2508400 -22.9931 36.8292 36.9022 36.8063 27.6861 -22.6409 40.1275 -23.0119 5.38599 TIMING: 2508400 CPU: 7928.59, 0.00323791/step Wall: 7928.59, 0.00323791/step, 2.24099 hours remaining, 238.855469 MB of memory in use. ENERGY: 2508400 3887.9366 20631.4782 14446.2128 269.5835 -202946.5016 2537.3376 0.0000 0.0000 52062.0208 -109111.9323 299.2011 -161173.9531 -108752.9639 299.6562 230.5673 252.8467 760579.4350 3.2718 3.3596 PRESSURE: 2508600 252.188 -77.2405 11.0995 -77.2407 -174.95 -127.451 11.0996 -127.45 -351.705 GPRESSURE: 2508600 220.631 -8.22169 -74.6603 -124.008 -10.4524 -108.62 -96.9072 -54.9174 -375.027 PRESSAVG: 2508600 -14.6993 15.6057 11.0025 15.6058 43.6431 -44.3576 11.0025 -44.3576 -24.2598 GPRESSAVG: 2508600 -13.8203 17.6484 9.13546 17.4193 42.0858 -42.2808 10.9497 -44.2058 -23.9002 TIMING: 2508600 CPU: 7929.22, 0.00317549/step Wall: 7929.22, 0.00317549/step, 2.19761 hours remaining, 239.058594 MB of memory in use. ENERGY: 2508600 4068.0033 20507.7624 14463.9186 253.5300 -203427.5072 2773.6423 0.0000 0.0000 52222.1904 -109138.4602 300.1216 -161360.6506 -108780.6028 299.6607 -91.4891 -54.9495 761411.9156 1.5613 1.4551 PRESSURE: 2508800 -206.991 -175.559 4.63539 -175.558 39.956 -28.6901 4.63454 -28.6906 -372.778 GPRESSURE: 2508800 -145.83 -206.131 -44.8054 -30.8909 47.9666 -46.7999 48.1275 -15.9317 -360.364 PRESSAVG: 2508800 -7.74411 23.0948 20.1326 23.0948 37.5034 -51.369 20.1326 -51.3689 13.4605 GPRESSAVG: 2508800 -8.35487 24.3094 21.0573 22.5515 37.4272 -51.3821 19.3287 -51.2352 13.8607 TIMING: 2508800 CPU: 7929.86, 0.00316017/step Wall: 7929.86, 0.00316017/step, 2.18684 hours remaining, 239.058594 MB of memory in use. ENERGY: 2508800 3999.3036 20518.4132 14469.8125 243.3753 -203082.7758 2639.0118 0.0000 0.0000 52047.1362 -109165.7232 299.1156 -161212.8594 -108796.4804 299.7096 -179.9376 -152.7427 760392.9590 14.4066 14.3110 PRESSURE: 2509000 -263.652 58.392 -148.026 58.3917 -133.152 0.352891 -148.026 0.353558 -225.142 GPRESSURE: 2509000 -299.605 121.885 -121.779 -30.7535 -108.173 42.439 -90.8334 -3.88713 -136.279 PRESSAVG: 2509000 -67.1202 5.54245 -50.6498 5.54249 49.5705 0.272087 -50.6498 0.272161 6.74411 GPRESSAVG: 2509000 -67.6727 4.02654 -50.9382 4.69519 52.0269 -0.154871 -51.9777 1.07777 4.71813 TIMING: 2509000 CPU: 7930.49, 0.00315424/step Wall: 7930.49, 0.00315424/step, 2.18256 hours remaining, 239.058594 MB of memory in use. ENERGY: 2509000 3934.1743 20518.8986 14448.7664 207.4712 -202869.8853 2480.4186 0.0000 0.0000 52214.9592 -109065.1970 300.0801 -161280.1562 -108710.3412 299.5724 -207.3155 -181.3523 765104.4694 -3.6019 -3.6426 PRESSURE: 2509200 33.2033 84.415 -107.614 84.4153 -83.87 32.9987 -107.614 32.9986 -247.556 GPRESSURE: 2509200 92.8149 129.557 -90.9646 191.768 -108.145 40.988 -71.1922 26.408 -215.604 PRESSAVG: 2509200 -49.2745 -26.9662 -2.97374 -26.9663 -18.38 11.8321 -2.97379 11.832 10.4002 GPRESSAVG: 2509200 -48.5878 -27.1472 -2.21146 -28.0463 -20.1618 8.41651 -2.21753 10.7993 12.1478 TIMING: 2509200 CPU: 7931.12, 0.00315554/step Wall: 7931.12, 0.00315554/step, 2.18328 hours remaining, 239.058594 MB of memory in use. ENERGY: 2509200 3976.7501 20566.8037 14484.2612 237.8464 -203338.1071 2732.8163 0.0000 0.0000 52235.0657 -109104.5635 300.1956 -161339.6293 -108746.8479 299.4289 -99.4076 -76.9782 762906.7613 -19.0848 -18.8673 PRESSURE: 2509400 -575.286 20.8833 -47.8147 20.8832 145.52 46.2438 -47.8147 46.2444 17.3909 GPRESSURE: 2509400 -533.576 -100.294 -43.8374 -106.628 190.453 104.43 -21.5662 46.1993 10.5283 PRESSAVG: 2509400 -8.13889 42.7808 -44.8112 42.7807 20.4874 2.73163 -44.8113 2.73167 0.984314 GPRESSAVG: 2509400 -9.43191 42.8764 -46.2108 43.9027 21.8175 6.42209 -44.4783 3.91866 0.725609 TIMING: 2509400 CPU: 7931.75, 0.00317632/step Wall: 7931.75, 0.00317632/step, 2.19749 hours remaining, 239.058594 MB of memory in use. ENERGY: 2509400 3983.3721 20456.8294 14473.7315 236.5670 -203128.3114 2598.1025 0.0000 0.0000 52215.5216 -109164.1872 300.0833 -161379.7088 -108788.5989 299.8943 -137.4581 -110.8650 763772.0962 4.4443 4.3704 PRESSURE: 2509600 198.525 24.5832 -274.126 24.5836 47.2032 -130.529 -274.126 -130.53 18.4879 GPRESSURE: 2509600 305.295 66.7297 -222.148 20.3355 79.7462 -138.332 -236.256 -104.855 -15.9716 PRESSAVG: 2509600 -67.4132 -14.1365 -11.0047 -14.1363 45.6027 -31.4393 -11.0047 -31.4393 29.364 GPRESSAVG: 2509600 -66.2136 -14.0193 -9.40026 -13.0999 44.6821 -34.1673 -10.913 -32.8027 30.2411 TIMING: 2509600 CPU: 7932.4, 0.00323122/step Wall: 7932.4, 0.00323122/step, 2.23528 hours remaining, 239.058594 MB of memory in use. ENERGY: 2509600 4002.1998 20471.9385 14462.3938 277.5109 -203626.3768 2899.6670 0.0000 0.0000 52215.9497 -109296.7171 300.0858 -161512.6668 -108926.9863 300.0204 88.0721 123.0230 760001.4005 2.5178 2.9032 PRESSURE: 2509800 203.633 -41.1922 -45.6087 -41.1926 -32.6553 -25.0309 -45.6085 -25.0321 -9.15769 GPRESSURE: 2509800 221.483 -137.54 -197.341 -82.2667 -27.0388 -15.4522 9.49916 37.5541 59.272 PRESSAVG: 2509800 -66.677 48.7254 -17.8965 48.7253 4.64247 -19.8198 -17.8965 -19.8198 -0.612884 GPRESSAVG: 2509800 -67.047 50.939 -18.764 46.9091 4.36211 -18.402 -18.4551 -18.9816 -0.152262 TIMING: 2509800 CPU: 7933.04, 0.00319196/step Wall: 7933.04, 0.00319196/step, 2.20795 hours remaining, 239.058594 MB of memory in use. ENERGY: 2509800 4037.1030 20579.8046 14484.3387 248.3543 -203482.6382 2628.0335 0.0000 0.0000 52281.5587 -109223.4454 300.4628 -161505.0041 -108874.0631 299.5454 53.9400 84.5719 759812.2070 -20.8825 -20.9457 PRESSURE: 2510000 -22.4877 -252.587 -177.512 -252.588 -52.6179 35.2504 -177.513 35.2508 -38.7823 GPRESSURE: 2510000 43.2437 -236.403 -259.634 -188.721 -1.42189 31.4767 -172.096 56.399 -63.4979 PRESSAVG: 2510000 27.0333 -42.8965 -12.5189 -42.8965 35.9817 -6.81248 -12.5189 -6.81254 -11.9992 GPRESSAVG: 2510000 26.6391 -45.5447 -11.3687 -41.576 37.0876 -6.8747 -13.2518 -5.47939 -12.974 TIMING: 2510000 CPU: 7933.67, 0.0031573/step Wall: 7933.67, 0.0031573/step, 2.1838 hours remaining, 239.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2510000 4024.9910 20572.2388 14512.0156 228.5765 -203560.2628 2760.1031 0.0000 0.0000 52157.9141 -109304.4238 299.7522 -161462.3379 -108934.6852 300.2147 -37.9626 -7.2253 760855.3400 17.0053 16.9176 PRESSURE: 2510200 -70.2929 -106.889 198.554 -106.888 -114.283 454.867 198.554 454.867 -457.908 GPRESSURE: 2510200 2.7974 -116.191 153.374 -42.1948 -72.1261 490.632 235.064 309.182 -500.761 PRESSAVG: 2510200 -12.0997 -10.1212 13.6508 -10.1212 6.39036 -2.38065 13.6509 -2.38067 21.649 GPRESSAVG: 2510200 -10.9319 -8.41977 13.1269 -11.0164 5.75636 -1.70742 14.6917 -5.35276 20.9408 TIMING: 2510200 CPU: 7934.3, 0.00315358/step Wall: 7934.3, 0.00315358/step, 2.18105 hours remaining, 239.058594 MB of memory in use. ENERGY: 2510200 3940.4686 20706.0896 14551.9439 253.0747 -203346.0809 2488.0798 0.0000 0.0000 52035.7478 -109370.6765 299.0502 -161406.4243 -109015.4311 299.5908 -214.1613 -190.0298 761055.7492 5.3132 5.2551 PRESSURE: 2510400 -201.487 -98.3552 228.919 -98.3533 -134.925 4.3584 228.92 4.35841 -192.093 GPRESSURE: 2510400 -174.326 -121.33 179.84 -115.523 -100.942 46.1439 147.006 85.6412 -179.13 PRESSAVG: 2510400 -0.55741 -33.8961 -12.9789 -33.8961 35.8445 -60.2357 -12.9789 -60.2357 -17.1765 GPRESSAVG: 2510400 -0.85081 -35.9843 -14.3328 -34.7834 36.3875 -61.8061 -13.0889 -58.188 -16.7722 TIMING: 2510400 CPU: 7934.94, 0.00318295/step Wall: 7934.94, 0.00318295/step, 2.20119 hours remaining, 239.058594 MB of memory in use. ENERGY: 2510400 4015.6177 20616.6287 14472.9626 260.6607 -202827.3858 2156.0716 0.0000 0.0000 51877.8952 -109427.5493 298.1430 -161305.4445 -109073.4485 299.5668 -176.1679 -151.4659 761033.4549 6.0369 6.2548 PRESSURE: 2510600 220.586 4.80775 160.713 4.80729 14.9278 -126.804 160.713 -126.804 156.496 GPRESSURE: 2510600 158.548 2.60299 178.157 0.359756 61.2204 -92.7491 308.16 -82.4269 250.142 PRESSAVG: 2510600 -21.5492 -82.6466 23.4652 -82.6466 12.1582 -32.919 23.4652 -32.9191 1.70794 GPRESSAVG: 2510600 -22.1503 -80.3875 24.6562 -82.6259 14.113 -30.7312 23.5829 -34.0665 0.184149 TIMING: 2510600 CPU: 7935.57, 0.00317275/step Wall: 7935.57, 0.00317275/step, 2.19395 hours remaining, 239.058594 MB of memory in use. ENERGY: 2510600 3895.0323 20620.1582 14445.6448 234.4718 -203720.4592 2757.7669 0.0000 0.0000 52252.7843 -109514.6009 300.2975 -161767.3852 -109149.5940 299.0121 130.6700 156.6369 760576.0766 -2.5610 -2.6177 PRESSURE: 2510800 -25.6091 9.33782 -12.7455 9.33801 129.277 306.723 -12.7445 306.723 -188.296 GPRESSURE: 2510800 25.1227 -87.1295 24.5583 84.0615 113.69 287.007 125.106 257.163 -147.683 PRESSAVG: 2510800 23.5773 -12.5147 13.4812 -12.5148 19.5495 5.04616 13.4812 5.04617 -0.331025 GPRESSAVG: 2510800 23.6007 -13.9769 13.7165 -10.7663 17.9556 3.24839 15.3906 4.89722 1.01163 TIMING: 2510800 CPU: 7936.21, 0.00318074/step Wall: 7936.21, 0.00318074/step, 2.1993 hours remaining, 239.058594 MB of memory in use. ENERGY: 2510800 3987.7184 20605.0642 14469.3532 248.1516 -203968.0815 2691.7440 0.0000 0.0000 52314.2555 -109651.7946 300.6507 -161966.0501 -109284.7475 299.2848 -28.2094 -2.9567 759975.1795 14.2653 14.1893 PRESSURE: 2511000 332.486 -161.06 36.0108 -161.06 -142.349 -368.614 36.0106 -368.615 -102.222 GPRESSURE: 2511000 340.548 -142.086 -43.4747 -160.378 -71.9962 -304.091 -44.0768 -328.426 -89.8541 PRESSAVG: 2511000 4.03102 13.0221 -31.8774 13.0221 -8.95954 -38.4576 -31.8775 -38.4577 -9.41752 GPRESSAVG: 2511000 4.39885 12.8451 -32.1069 13.3701 -9.63276 -37.6149 -33.2516 -36.2125 -9.10321 TIMING: 2511000 CPU: 7936.84, 0.00318058/step Wall: 7936.84, 0.00318058/step, 2.19902 hours remaining, 239.058594 MB of memory in use. ENERGY: 2511000 3965.2033 20418.7886 14485.4265 254.2270 -203704.5528 2760.6405 0.0000 0.0000 52113.5955 -109706.6714 299.4975 -161820.2669 -109334.7076 299.0152 29.3048 59.5661 760297.0830 -4.7820 -4.7790 PRESSURE: 2511200 -431.924 -34.7525 122.017 -34.7524 32.8272 172.714 122.016 172.713 72.4019 GPRESSURE: 2511200 -284.076 -52.6881 104.11 -11.8119 -17.7101 186.404 70.3044 97.8778 31.192 PRESSAVG: 2511200 -24.6989 -10.0128 -26.8081 -10.0128 2.42402 0.206417 -26.8081 0.206462 20.3554 GPRESSAVG: 2511200 -23.5446 -9.68203 -28.4754 -9.97954 1.66399 1.30757 -27.7002 -3.01266 20.0338 TIMING: 2511200 CPU: 7937.48, 0.00316946/step Wall: 7937.48, 0.00316946/step, 2.19115 hours remaining, 239.058594 MB of memory in use. ENERGY: 2511200 3974.9829 20542.6503 14458.0644 238.3861 -203392.0356 2404.7138 0.0000 0.0000 52082.4350 -109690.8032 299.3185 -161773.2382 -109330.0659 299.0430 -108.8984 -90.1981 760794.5336 -0.6398 -0.6156 PRESSURE: 2511400 -82.2484 15.3292 88.4235 15.3293 188.353 164.43 88.4235 164.43 90.0996 GPRESSURE: 2511400 -36.1583 -163.173 11.8963 -0.879394 148.772 122.508 56.8034 224.201 158.457 PRESSAVG: 2511400 -7.60465 -9.57467 12.3552 -9.5747 -15.6639 14.3604 12.3552 14.3604 -11.9965 GPRESSAVG: 2511400 -8.33208 -10.3131 14.3834 -10.275 -14.6558 13.258 13.3254 17.0145 -11.5827 TIMING: 2511400 CPU: 7938.11, 0.00316735/step Wall: 7938.11, 0.00316735/step, 2.18952 hours remaining, 239.058594 MB of memory in use. ENERGY: 2511400 3961.8952 20524.6099 14508.4134 260.3976 -203812.4805 2770.9450 0.0000 0.0000 51813.3623 -109972.8571 297.7721 -161786.2194 -109619.4999 298.8889 65.4012 90.3571 759207.9260 -11.7550 -11.5235 PRESSURE: 2511600 -89.8601 -111.497 -8.3449 -111.497 -192.341 -40.0757 -8.3451 -40.0767 -148.217 GPRESSURE: 2511600 -16.3964 -62.3009 138.39 -95.3002 -157.51 -48.02 -51.6035 -96.4791 -174.512 PRESSAVG: 2511600 -36.9654 -29.1741 23.4497 -29.174 19.6738 42.6871 23.4496 42.687 -9.91073 GPRESSAVG: 2511600 -36.5497 -27.487 24.1896 -28.8478 20.07 41.8864 22.7761 40.5976 -11.0112 TIMING: 2511600 CPU: 7938.75, 0.00319156/step Wall: 7938.75, 0.00319156/step, 2.20608 hours remaining, 239.058594 MB of memory in use. ENERGY: 2511600 3919.8393 20601.2287 14431.9963 249.0510 -203565.5813 2494.8919 0.0000 0.0000 51907.7863 -109960.7878 298.3148 -161868.5742 -109601.5098 298.0568 -143.4725 -116.1397 760264.1497 -9.0674 -9.1636 PRESSURE: 2511800 -290.915 -242.22 213.328 -242.221 -140.324 -197.211 213.327 -197.211 -57.8241 GPRESSURE: 2511800 -279.082 -206.899 241.698 -112.877 -91.1425 -177.632 247.706 -196.668 -42.2266 PRESSAVG: 2511800 -14.373 8.00048 6.83208 8.00045 -14.3522 -61.555 6.83206 -61.5551 -4.96454 GPRESSAVG: 2511800 -14.1855 6.91322 5.8104 7.31521 -13.597 -60.7662 8.23869 -61.2071 -5.23709 TIMING: 2511800 CPU: 7939.39, 0.00318496/step Wall: 7939.39, 0.00318496/step, 2.20134 hours remaining, 239.058594 MB of memory in use. ENERGY: 2511800 3940.3413 20622.6617 14426.9120 252.5845 -203555.5396 2543.3038 0.0000 0.0000 52074.2187 -109695.5176 299.2713 -161769.7363 -109336.8154 298.4622 -163.0214 -137.4837 761272.2011 -11.2299 -11.0065 PRESSURE: 2512000 67.7695 0.316366 94.8969 0.315899 -166.467 98.8111 94.8976 98.8107 122.407 GPRESSURE: 2512000 107.846 47.3041 36.0923 126.211 -118.011 66.537 72.7371 162.028 117.125 PRESSAVG: 2512000 20.4901 -12.5213 -6.41941 -12.5212 -42.6522 28.2877 -6.41943 28.2877 3.43478 GPRESSAVG: 2512000 19.9386 -10.2528 -6.67771 -13.323 -44.2434 28.1728 -7.26044 26.3424 5.40932 TIMING: 2512000 CPU: 7940.03, 0.0031917/step Wall: 7940.03, 0.0031917/step, 2.20582 hours remaining, 239.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2512000 3873.5007 20484.6960 14443.6979 250.1248 -203365.1341 2400.6873 0.0000 0.0000 52005.2295 -109907.1979 298.8748 -161912.4274 -109540.7440 298.4891 7.9032 35.6532 761409.5079 -6.2424 -6.2985 PRESSURE: 2512200 98.6719 -15.236 -80.3628 -15.235 -228.676 97.8332 -80.3633 97.8318 -268.653 GPRESSURE: 2512200 70.9051 -36.6901 -171.243 -0.9405 -109.441 84.5978 34.618 103.978 -263.068 PRESSAVG: 2512200 0.28089 26.289 47.3159 26.2891 4.92583 1.75221 47.3159 1.75226 6.59929 GPRESSAVG: 2512200 0.40985 23.9692 48.1259 29.159 5.97883 2.482 49.3169 5.59727 5.81239 TIMING: 2512200 CPU: 7940.67, 0.00321058/step Wall: 7940.67, 0.00321058/step, 2.21869 hours remaining, 239.058594 MB of memory in use. ENERGY: 2512200 4005.6436 20503.5003 14433.8142 240.0812 -203400.6126 2383.1138 0.0000 0.0000 51971.3872 -109863.0722 298.6803 -161834.4594 -109501.4593 298.1459 -132.8856 -100.5345 759497.2097 3.9353 4.0670 LDB: ============= START OF LOAD BALANCING ============== 7953.07 LDB: ============== END OF LOAD BALANCING =============== 7953.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7953.07 LDB: ============= START OF LOAD BALANCING ============== 7953.38 LDB: Largest compute 7058 load 0.035877 is 18.3% of average load 0.195957 LDB: Average compute 0.004399 is 2.2% of average load 0.195957 LDB: TIME 7953.39 LOAD: AVG 0.195957 MAX 0.217042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.113 MB LDB: TIME 7953.39 LOAD: AVG 0.195957 MAX 0.217042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.207 MB LDB: TIME 7953.39 LOAD: AVG 0.195957 MAX 0.217042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7953.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7953.39 PRESSURE: 2512400 566.675 -131.807 116.549 -131.807 58.9713 64.4713 116.549 64.4707 273.517 GPRESSURE: 2512400 546.846 -237.756 37.4678 -13.2341 152.73 32.9826 98.0904 -60.0816 279.743 PRESSAVG: 2512400 10.071 10.1621 8.23886 10.1622 -3.99066 -13.03 8.23888 -13.0301 -6.34711 GPRESSAVG: 2512400 10.9702 10.8926 6.69442 10.1317 -4.59924 -14.8134 7.68744 -13.5783 -6.4178 TIMING: 2512400 CPU: 7941.31, 0.00322044/step Wall: 7941.31, 0.00322044/step, 2.22532 hours remaining, 239.171875 MB of memory in use. ENERGY: 2512400 3980.0891 20516.9827 14503.2020 237.7069 -203628.5750 2820.9451 0.0000 0.0000 51864.3084 -109705.3408 298.0649 -161569.6492 -109352.8467 298.6120 299.7212 326.4395 759207.3406 -0.0889 -0.0156 PRESSURE: 2512600 50.2551 38.6339 24.055 38.6339 50.3557 2.42103 24.0557 2.42016 -157.511 GPRESSURE: 2512600 124.969 2.66559 75.627 83.889 46.7769 46.995 -45.8942 128.143 -122.453 PRESSAVG: 2512600 0.525516 29.9635 52.4087 29.9635 47.08 -81.6768 52.4087 -81.6768 15.7611 GPRESSAVG: 2512600 -0.887467 28.7273 52.7816 28.6774 47.6295 -79.7542 49.9585 -82.1265 17.0322 TIMING: 2512600 CPU: 7941.95, 0.00318037/step Wall: 7941.95, 0.00318036/step, 2.19746 hours remaining, 239.375000 MB of memory in use. ENERGY: 2512600 3925.6595 20477.8734 14468.5315 235.8740 -203224.1881 2489.1310 0.0000 0.0000 52092.2323 -109534.8864 299.3748 -161627.1187 -109161.7298 298.6260 -18.9668 16.4312 761469.0529 21.1222 21.2581 PRESSURE: 2512800 -166.563 -93.2276 -303.88 -93.2276 -115.682 111.85 -303.879 111.851 -303.356 GPRESSURE: 2512800 -126.685 -13.0332 -303.487 -122.147 -31.1812 104.055 -137.614 -16.9071 -323.409 PRESSAVG: 2512800 -38.1346 -0.213833 -4.33671 -0.21388 21.6551 -48.833 -4.33668 -48.833 13.2153 GPRESSAVG: 2512800 -37.1108 1.74853 -3.97828 -1.35482 22.3584 -50.9119 -2.07226 -48.3828 11.9316 TIMING: 2512800 CPU: 7942.58, 0.00318722/step Wall: 7942.58, 0.00318722/step, 2.20202 hours remaining, 239.375000 MB of memory in use. ENERGY: 2512800 3997.9605 20490.6831 14414.3310 258.9360 -203341.9622 2407.6298 0.0000 0.0000 52310.1054 -109462.3164 300.6269 -161772.4218 -109093.4417 299.5253 -195.2004 -160.4251 760911.0227 -1.0881 -0.9403 PRESSURE: 2513000 139.96 -148.493 -9.53603 -148.493 484.959 -183.681 -9.53661 -183.681 6.90604 GPRESSURE: 2513000 162.203 69.0948 -87.618 -58.8979 453.548 -161.279 117.849 -149.57 78.5581 PRESSAVG: 2513000 11.32 -27.7055 -27.4987 -27.7055 14.5442 -71.2503 -27.4986 -71.2503 6.37778 GPRESSAVG: 2513000 12.2293 -28.4075 -27.3986 -25.9861 13.7665 -69.8175 -26.5547 -70.9854 6.21921 TIMING: 2513000 CPU: 7943.22, 0.00317466/step Wall: 7943.22, 0.00317466/step, 2.19316 hours remaining, 239.375000 MB of memory in use. ENERGY: 2513000 3985.7223 20520.2709 14421.9969 237.0530 -203442.8992 2735.6307 0.0000 0.0000 52198.6516 -109343.5737 299.9864 -161542.2253 -108981.0877 299.3087 210.6083 231.4364 760066.0908 10.7473 10.7383 PRESSURE: 2513200 169.023 17.0794 265.147 17.0789 447.054 -36.2338 265.148 -36.2349 -194.762 GPRESSURE: 2513200 274.449 -93.7813 284.467 -54.951 377.42 -62.563 252.256 -40.2499 -134.563 PRESSAVG: 2513200 -2.71703 -11.1775 -31.948 -11.1775 -10.2836 -56.9379 -31.948 -56.9379 4.36704 GPRESSAVG: 2513200 -2.58082 -8.66541 -31.1025 -12.6467 -10.3024 -56.5489 -33.4346 -55.8954 4.40014 TIMING: 2513200 CPU: 7943.85, 0.00317262/step Wall: 7943.85, 0.00317262/step, 2.19157 hours remaining, 239.375000 MB of memory in use. ENERGY: 2513200 3945.5463 20598.1216 14391.3089 245.5281 -203322.5779 2557.4663 0.0000 0.0000 52141.3541 -109443.2526 299.6571 -161584.6067 -109074.2041 299.5432 140.4384 172.4353 761015.9164 -2.8779 -2.8277 PRESSURE: 2513400 191.505 -75.0351 40.1036 -75.0335 -81.6822 110.384 40.1039 110.385 -144.545 GPRESSURE: 2513400 204.737 -175.228 29.5909 -65.4676 -39.7803 158.91 159.4 15.8629 -102.232 PRESSAVG: 2513400 7.26258 -20.4699 10.4263 -20.4699 -17.5029 -58.7652 10.4263 -58.7652 24.4489 GPRESSAVG: 2513400 6.25644 -22.4697 11.2779 -20.3568 -16.8739 -59.1961 9.12334 -61.1999 25.1493 TIMING: 2513400 CPU: 7944.49, 0.00317302/step Wall: 7944.49, 0.00317302/step, 2.19167 hours remaining, 239.375000 MB of memory in use. ENERGY: 2513400 4015.4940 20409.5290 14511.5028 267.2336 -203677.2490 2861.3343 0.0000 0.0000 52075.9566 -109536.1987 299.2812 -161612.1553 -109173.4852 299.1653 -11.5740 20.9083 760344.4592 4.7362 4.8440 PRESSURE: 2513600 95.4305 150.458 58.1951 150.457 152.985 20.7281 58.1949 20.7291 189.729 GPRESSURE: 2513600 161.021 32.7617 78.3438 138.903 196.323 92.0492 14.6014 -49.6589 170.32 PRESSAVG: 2513600 -29.9324 17.9442 -13.3518 17.9442 58.7863 9.54216 -13.3517 9.54221 -2.41284 GPRESSAVG: 2513600 -29.3351 16.6145 -14.7771 19.2077 58.6968 10.9528 -10.6382 9.61471 -2.94359 TIMING: 2513600 CPU: 7945.12, 0.00317969/step Wall: 7945.12, 0.00317969/step, 2.1961 hours remaining, 239.375000 MB of memory in use. ENERGY: 2513600 3919.0967 20482.9450 14434.0252 225.1640 -203310.2544 2568.1988 0.0000 0.0000 51996.1108 -109684.7137 298.8224 -161680.8246 -109325.5322 299.0592 146.0478 175.8881 758995.5523 8.8137 8.8060 PRESSURE: 2513800 -19.8402 -231.256 -41.8888 -231.256 -181.752 -141.985 -41.8886 -141.985 88.4225 GPRESSURE: 2513800 -31.5212 -111.21 -47.3613 -81.9606 -24.7645 -170.923 -161.622 -230.266 35.109 PRESSAVG: 2513800 -47.4242 -67.1511 -28.6441 -67.1511 22.5867 -52.1737 -28.6441 -52.1737 11.9541 GPRESSAVG: 2513800 -47.0704 -64.774 -28.0202 -68.0059 21.9214 -53.078 -31.459 -52.8783 12.0841 TIMING: 2513800 CPU: 7945.76, 0.00318247/step Wall: 7945.76, 0.00318247/step, 2.19785 hours remaining, 239.375000 MB of memory in use. ENERGY: 2513800 3964.7013 20334.5002 14492.1259 235.9731 -203571.2374 2606.0719 0.0000 0.0000 52121.3959 -109816.4691 299.5424 -161937.8650 -109444.5502 298.8694 -37.7233 -7.0589 761429.7225 -4.2945 -4.3550 PRESSURE: 2514000 -196.297 46.1934 -44.7456 46.1936 -28.9296 164.179 -44.7458 164.18 69.3027 GPRESSURE: 2514000 37.1448 95.4166 -124.016 -46.3695 -111.314 119.723 -95.5457 45.3031 8.03721 PRESSAVG: 2514000 -55.6593 -24.0577 27.2283 -24.0576 63.3056 12.806 27.2284 12.806 -15.0941 GPRESSAVG: 2514000 -55.2889 -26.2472 26.3338 -22.7803 63.5272 13.491 25.1327 11.8093 -15.603 TIMING: 2514000 CPU: 7946.4, 0.00317652/step Wall: 7946.4, 0.00317652/step, 2.19356 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2514000 4021.7005 20532.2878 14448.9439 259.1676 -203601.9237 2640.4551 0.0000 0.0000 51999.5998 -109699.7690 298.8424 -161699.3688 -109342.3606 298.8967 -51.9745 -22.0441 761273.3145 -2.4826 -2.4549 PRESSURE: 2514200 -177.864 -257.756 -187.706 -257.756 199.504 84.2468 -187.706 84.2459 -173.969 GPRESSURE: 2514200 -56.1498 -146.574 -143.902 -61.1758 78.3997 56.3013 -80.0959 63.7979 -114.648 PRESSAVG: 2514200 32.3123 -77.9189 12.3348 -77.919 38.8737 -1.80939 12.3348 -1.80938 -7.8049 GPRESSAVG: 2514200 32.342 -76.2573 12.635 -76.7231 39.0645 -4.27698 14.804 -0.6124 -7.66738 TIMING: 2514200 CPU: 7947.04, 0.00322426/step Wall: 7947.04, 0.00322426/step, 2.22635 hours remaining, 239.375000 MB of memory in use. ENERGY: 2514200 3975.2915 20468.4572 14506.2460 250.7947 -203371.9917 2579.0253 0.0000 0.0000 51904.7241 -109687.4529 298.2972 -161592.1770 -109319.3151 299.1746 -50.7765 -30.7994 761563.8171 21.1270 21.2464 PRESSURE: 2514400 -94.6055 -42.6897 -40.9601 -42.6897 -174.974 128.928 -40.9598 128.928 19.3757 GPRESSURE: 2514400 40.591 -163.014 -94.517 -194.851 -235.868 184.928 -4.90444 101.329 39.1074 PRESSAVG: 2514400 5.45251 -59.891 12.6674 -59.891 -23.7964 -17.0854 12.6674 -17.0854 -1.04085 GPRESSAVG: 2514400 4.51409 -61.1686 14.6262 -61.3301 -22.1813 -15.0582 12.5048 -16.8106 -1.59194 TIMING: 2514400 CPU: 7947.68, 0.0032138/step Wall: 7947.68, 0.0032138/step, 2.21895 hours remaining, 239.375000 MB of memory in use. ENERGY: 2514400 4015.1300 20583.7379 14446.8306 235.8067 -203455.6707 2412.2798 0.0000 0.0000 51826.8987 -109934.9870 297.8499 -161761.8856 -109583.6589 298.8331 -83.4012 -52.0565 760335.5704 -6.4616 -6.4197 PRESSURE: 2514600 -86.526 104.606 -97.2787 104.605 -100.31 27.8868 -97.2786 27.8872 -286.612 GPRESSURE: 2514600 -136.105 -1.38975 -166.398 69.7665 65.7164 -18.7998 -254.818 -18.2051 -308.728 PRESSAVG: 2514600 -18.3064 -28.0577 -56.3862 -28.0578 -7.08296 16.2272 -56.3862 16.2271 -7.81033 GPRESSAVG: 2514600 -18.7813 -27.4328 -59.5902 -28.6391 -8.00714 14.8718 -57.4345 14.6396 -6.16974 TIMING: 2514600 CPU: 7948.32, 0.00319687/step Wall: 7948.32, 0.00319687/step, 2.20708 hours remaining, 239.375000 MB of memory in use. ENERGY: 2514600 3990.3356 20367.6796 14426.0581 254.0761 -203726.8260 2671.9881 0.0000 0.0000 52199.6272 -109817.0611 299.9920 -162016.6884 -109450.8906 298.4931 -157.8157 -126.3723 760987.1890 -11.0666 -10.9861 PRESSURE: 2514800 294.382 -45.7596 108.841 -45.7592 115.501 237.472 108.84 237.473 -159.84 GPRESSURE: 2514800 303.805 -0.159445 108.218 -106.02 224.54 170.812 120.087 118.55 -191.368 PRESSAVG: 2514800 -51.2344 9.44203 -16.9156 9.44211 65.4715 -20.6719 -16.9156 -20.672 -1.59448 GPRESSAVG: 2514800 -51.3646 9.04355 -15.7223 10.7848 66.7091 -19.8089 -15.2579 -21.1612 -3.18245 TIMING: 2514800 CPU: 7948.96, 0.00320615/step Wall: 7948.96, 0.00320615/step, 2.21331 hours remaining, 239.375000 MB of memory in use. ENERGY: 2514800 4032.8810 20609.9894 14408.0131 264.6636 -203851.5347 2850.4927 0.0000 0.0000 51843.9306 -109841.5645 297.9478 -161685.4951 -109480.9098 298.5838 83.3480 112.3257 760102.0062 4.2142 4.0540 PRESSURE: 2515000 82.6707 -15.5835 -75.4259 -15.5839 22.0148 56.6446 -75.4257 56.6448 109.518 GPRESSURE: 2515000 142.32 -0.698892 -51.6051 -3.83124 -13.5801 112.3 -13.5555 -18.2438 170.187 PRESSAVG: 2515000 76.6149 -18.2153 42.6276 -18.2153 -54.2137 1.01823 42.6277 1.01826 1.19911 GPRESSAVG: 2515000 76.3837 -17.7694 42.5296 -19.1128 -55.2 -0.163333 42.8709 3.37253 2.21443 TIMING: 2515000 CPU: 7949.61, 0.00320761/step Wall: 7949.61, 0.00320761/step, 2.21414 hours remaining, 239.375000 MB of memory in use. ENERGY: 2515000 4008.2079 20413.7034 14431.7039 255.2710 -203435.2690 2599.3377 0.0000 0.0000 51766.1170 -109960.9283 297.5006 -161727.0453 -109600.6624 298.4265 71.4013 99.6424 760980.2734 7.8667 7.7994 PRESSURE: 2515200 -114.672 1.26815 1.06885 1.26833 -68.6428 96.8995 1.06895 96.9004 181.548 GPRESSURE: 2515200 -60.8952 -16.1569 -8.37128 -91.289 -19.6385 78.0441 -112.414 202.762 140.673 PRESSAVG: 2515200 -20.9985 -53.3069 -28.8119 -53.307 3.90466 -8.15689 -28.812 -8.15693 15.4803 GPRESSAVG: 2515200 -20.8991 -54.4623 -30.5576 -53.4865 3.96581 -8.02411 -29.8421 -8.5952 14.8916 TIMING: 2515200 CPU: 7950.26, 0.00324696/step Wall: 7950.26, 0.00324696/step, 2.24113 hours remaining, 239.375000 MB of memory in use. ENERGY: 2515200 3945.4681 20433.3054 14519.6554 254.4570 -203091.5428 2128.5985 0.0000 0.0000 51953.6322 -109856.4263 298.5782 -161810.0585 -109497.4906 298.5864 -0.5891 20.0464 759269.2953 -0.5378 -0.6806 PRESSURE: 2515400 -27.3138 -122.41 37.6494 -122.411 -461.233 -130.972 37.6499 -130.972 -386.036 GPRESSURE: 2515400 -55.1831 -162.217 41.8083 -143.261 -409.299 42.5758 -5.84002 -91.4892 -327.958 PRESSAVG: 2515400 28.3096 -11.867 17.1378 -11.867 -18.9606 -59.2453 17.1378 -59.2453 -13.7328 GPRESSAVG: 2515400 28.5198 -12.3554 18.5228 -10.7217 -19.4922 -60.0268 16.4793 -58.6432 -13.3864 TIMING: 2515400 CPU: 7950.91, 0.00325365/step Wall: 7950.91, 0.00325365/step, 2.24556 hours remaining, 239.375000 MB of memory in use. ENERGY: 2515400 4027.2479 20401.5240 14366.9378 244.5743 -202999.9559 2126.6210 0.0000 0.0000 52009.8403 -109823.2106 298.9013 -161833.0508 -109451.9221 298.4960 -291.5277 -264.1466 759657.2983 -1.4613 -1.4529 PRESSURE: 2515600 82.0967 7.06226 -208.98 7.06247 -154.47 -141.627 -208.98 -141.627 407.463 GPRESSURE: 2515600 75.9765 -61.804 -252.846 -95.5486 -65.9787 -97.2532 -231.536 -168.391 390.868 PRESSAVG: 2515600 32.1834 -18.4669 12.6154 -18.4669 -36.6605 2.08698 12.6153 2.0871 7.41989 GPRESSAVG: 2515600 31.3496 -18.9185 11.5739 -18.9513 -36.2304 1.93251 13.1183 1.46483 8.06514 TIMING: 2515600 CPU: 7951.55, 0.00320286/step Wall: 7951.55, 0.00320286/step, 2.21033 hours remaining, 239.375000 MB of memory in use. ENERGY: 2515600 3924.9014 20629.2740 14452.9819 270.1311 -203624.3366 2814.5843 0.0000 0.0000 51847.5323 -109684.9316 297.9685 -161532.4638 -109327.5275 299.1019 111.6966 133.6219 760970.3129 0.9809 1.0614 PRESSURE: 2515800 63.605 27.879 -27.1391 27.8791 43.0181 21.9625 -27.1392 21.9627 10.0584 GPRESSURE: 2515800 142.676 -55.6512 19.7795 102.416 2.67101 62.2041 -37.6108 -46.6089 46.3898 PRESSAVG: 2515800 50.8749 -45.7861 -26.218 -45.7861 -65.2941 15.7084 -26.218 15.7084 -1.95059 GPRESSAVG: 2515800 52.1184 -44.0469 -24.5721 -45.5339 -66.1854 16.368 -23.247 14.2386 -2.0346 TIMING: 2515800 CPU: 7952.19, 0.00322931/step Wall: 7952.19, 0.00322931/step, 2.2284 hours remaining, 239.375000 MB of memory in use. ENERGY: 2515800 3970.7703 20522.5466 14393.1333 249.9340 -203066.3936 2302.4393 0.0000 0.0000 52051.1868 -109576.3833 299.1389 -161627.5701 -109209.0127 298.9207 38.8938 63.9121 761436.7060 -5.4566 -5.3672 PRESSURE: 2516000 -338.215 -52.8623 -11.1025 -52.8625 -322.299 -165.425 -11.1028 -165.425 -2.06489 GPRESSURE: 2516000 -299.748 -98.6196 -61.8429 -193.287 -307.517 -196.222 35.4305 -119.011 39.3787 PRESSAVG: 2516000 83.1967 -29.2697 0.562357 -29.2696 -47.6899 -6.11554 0.56238 -6.11556 -3.06799 GPRESSAVG: 2516000 83.0633 -31.0511 0.216194 -30.3603 -47.4168 -5.44092 -2.69064 -6.4323 -2.75234 TIMING: 2516000 CPU: 7952.84, 0.00323437/step Wall: 7952.84, 0.00323437/step, 2.23171 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2516000 4020.6297 20393.1504 14382.1824 242.1394 -203340.6097 2528.5936 0.0000 0.0000 52032.6431 -109741.2711 299.0323 -161773.9142 -109367.9221 299.1305 -220.8596 -189.2955 760068.5315 10.8130 10.9647 PRESSURE: 2516200 -101.213 19.7746 -68.4153 19.7739 -344.434 131.135 -68.415 131.136 -86.1644 GPRESSURE: 2516200 -31.8455 -89.8042 -14.809 -0.595774 -241.003 165.257 71.6316 123.774 -157.155 PRESSAVG: 2516200 74.4835 -15.1108 20.6166 -15.1108 -114.401 21.6086 20.6166 21.6085 12.5156 GPRESSAVG: 2516200 76.1845 -14.7639 18.8666 -14.898 -114.64 22.3233 22.5754 22.4145 11.2197 TIMING: 2516200 CPU: 7953.49, 0.00323106/step Wall: 7953.49, 0.00323107/step, 2.22926 hours remaining, 239.375000 MB of memory in use. ENERGY: 2516200 3963.7540 20359.0504 14437.1799 248.3507 -203168.4624 2357.8739 0.0000 0.0000 52171.1326 -109631.1209 299.8282 -161802.2535 -109274.3061 298.7809 -177.2706 -143.3344 760390.2640 -9.1338 -9.0786 LDB: ============= START OF LOAD BALANCING ============== 7965.89 LDB: ============== END OF LOAD BALANCING =============== 7965.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7965.89 LDB: ============= START OF LOAD BALANCING ============== 7966.21 LDB: Largest compute 7058 load 0.037959 is 19.4% of average load 0.195987 LDB: Average compute 0.004384 is 2.2% of average load 0.195987 LDB: TIME 7966.22 LOAD: AVG 0.195987 MAX 0.221618 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.57 MB LDB: TIME 7966.22 LOAD: AVG 0.195987 MAX 0.221618 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.57 MB LDB: TIME 7966.22 LOAD: AVG 0.195987 MAX 0.221618 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7966.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7966.22 PRESSURE: 2516400 428.303 -10.7888 -153.747 -10.7887 76.7208 -42.1206 -153.747 -42.1196 300.405 GPRESSURE: 2516400 427.83 -123.05 -150.833 -11.1124 136.161 14.0632 -179.321 5.53647 311.11 PRESSAVG: 2516400 18.1417 -24.4908 -45.221 -24.4908 -74.3083 41.5135 -45.2211 41.5135 1.88682 GPRESSAVG: 2516400 15.8311 -23.1654 -44.8359 -25.804 -72.7102 40.6221 -45.7779 42.6678 2.66857 TIMING: 2516400 CPU: 7954.14, 0.00327776/step Wall: 7954.14, 0.00327776/step, 2.26129 hours remaining, 239.828125 MB of memory in use. ENERGY: 2516400 3888.6362 20394.8358 14470.6711 242.1769 -203633.8890 2685.9420 0.0000 0.0000 52166.1736 -109785.4534 299.7997 -161951.6270 -109426.5459 298.6583 268.4762 291.7002 759270.5206 -18.0932 -18.0702 PRESSURE: 2516600 92.5022 -46.6349 425.557 -46.6341 300.577 350.581 425.557 350.581 269.699 GPRESSURE: 2516600 160.445 -97.256 439.635 -132.315 327.629 322.467 273.151 150.683 255.275 PRESSAVG: 2516600 57.0624 -42.7303 27.4488 -42.7303 -41.3751 46.3426 27.4487 46.3426 -5.71203 GPRESSAVG: 2516600 58.3291 -44.6701 27.1668 -40.5622 -42.3226 45.7716 27.0167 44.767 -6.12041 TIMING: 2516600 CPU: 7954.79, 0.00322316/step Wall: 7954.79, 0.00322316/step, 2.22344 hours remaining, 240.031250 MB of memory in use. ENERGY: 2516600 3970.3480 20434.8932 14441.8485 244.5051 -203489.5768 2585.7323 0.0000 0.0000 51996.3955 -109815.8544 298.8240 -161812.2498 -109447.2688 298.4443 220.9262 247.7829 760513.4258 3.3251 3.2954 PRESSURE: 2516800 111.084 -83.7968 85.6754 -83.7967 346.254 29.8011 85.6757 29.8027 295.969 GPRESSURE: 2516800 224.851 -42.5293 153.431 -89.9925 307.744 -97.5451 -10.5488 95.091 311.18 PRESSAVG: 2516800 60.305 -8.12063 25.7321 -8.12068 -13.417 53.4682 25.7321 53.4682 15.3907 GPRESSAVG: 2516800 59.8996 -6.64235 26.2704 -7.74558 -13.2531 52.9548 24.1237 53.9008 15.6459 TIMING: 2516800 CPU: 7955.43, 0.0032274/step Wall: 7955.43, 0.0032274/step, 2.22619 hours remaining, 240.031250 MB of memory in use. ENERGY: 2516800 3940.1661 20665.1212 14483.6538 235.7047 -203549.2047 2399.2474 0.0000 0.0000 52149.7800 -109675.5315 299.7055 -161825.3115 -109319.2158 298.7606 251.1026 281.2585 759016.4604 20.7596 20.7641 PRESSURE: 2517000 -184.596 -46.6071 57.2763 -46.6073 63.4145 -175.937 57.2756 -175.937 274.285 GPRESSURE: 2517000 -101.3 -57.7661 49.3556 -7.3859 64.5073 -60.5857 71.6914 -194.661 272.226 PRESSAVG: 2517000 45.5136 -1.95554 29.7692 -1.9555 -11.3654 17.5951 29.7692 17.5951 3.10283 GPRESSAVG: 2517000 44.3926 -3.178 27.6139 -2.22299 -11.6874 19.2134 34.1997 17.8436 4.5076 TIMING: 2517000 CPU: 7956.08, 0.00322665/step Wall: 7956.08, 0.00322665/step, 2.22549 hours remaining, 240.031250 MB of memory in use. ENERGY: 2517000 4060.8377 20396.9012 14471.3623 251.2997 -203206.3616 2530.3360 0.0000 0.0000 52274.3620 -109221.2627 300.4215 -161495.6247 -108858.8355 299.9013 51.0343 78.4776 759369.7138 12.4170 12.4043 PRESSURE: 2517200 36.7513 17.3875 -55.0417 17.3876 -152.617 -53.9792 -55.0423 -53.9789 0.199148 GPRESSURE: 2517200 123.82 -59.4937 30.3731 93.7172 -180.899 -120.079 -19.8092 66.1523 11.5258 PRESSAVG: 2517200 0.0384489 -18.4058 16.4771 -18.4058 -24.036 13.8323 16.477 13.8322 -11.9691 GPRESSAVG: 2517200 0.282674 -18.6115 17.9703 -19.1794 -24.4333 13.1666 12.8792 12.815 -11.9963 TIMING: 2517200 CPU: 7956.72, 0.00319583/step Wall: 7956.72, 0.00319583/step, 2.20406 hours remaining, 240.031250 MB of memory in use. ENERGY: 2517200 4018.5474 20421.7432 14554.2610 243.8885 -203199.5276 2489.7185 0.0000 0.0000 52114.4057 -109356.9632 299.5022 -161471.3689 -108992.8678 299.4472 -38.5557 -15.1845 760051.5563 -11.9889 -12.0490 PRESSURE: 2517400 -87.555 -32.7697 139.591 -32.77 96.831 62.7059 139.591 62.7059 -122.433 GPRESSURE: 2517400 -18.5867 -26.4166 132.715 -138.903 87.2246 29.9475 -32.9442 -1.24823 -94.4064 PRESSAVG: 2517400 15.862 -22.6139 -11.1624 -22.6139 -32.1101 8.50903 -11.1625 8.50896 -2.38941 GPRESSAVG: 2517400 17.3784 -21.9974 -11.1669 -21.8235 -32.5211 7.97474 -11.6532 9.52753 -3.54538 TIMING: 2517400 CPU: 7957.35, 0.00318955/step Wall: 7957.35, 0.00318955/step, 2.19955 hours remaining, 240.031250 MB of memory in use. ENERGY: 2517400 4022.8101 20415.0853 14462.7369 254.9028 -202648.3937 2162.6213 0.0000 0.0000 51867.4198 -109462.8175 298.0828 -161330.2374 -109100.0250 299.6249 -37.7189 -8.5895 759896.7546 -6.2125 -6.2294 PRESSURE: 2517600 58.4596 79.4228 -221.343 79.423 159.718 192.742 -221.343 192.743 11.6724 GPRESSURE: 2517600 41.5485 120.542 -147.898 92.6192 230.278 246.284 -85.2544 127.485 44.2444 PRESSAVG: 2517600 -11.7157 -19.8353 18.6936 -19.8353 31.4547 -34.6131 18.6936 -34.613 -13.1556 GPRESSAVG: 2517600 -12.2731 -19.4615 18.0822 -19.1845 32.2462 -33.6552 20.1527 -35.2306 -12.8847 TIMING: 2517600 CPU: 7958, 0.00320476/step Wall: 7958, 0.00320476/step, 2.20986 hours remaining, 240.031250 MB of memory in use. ENERGY: 2517600 3991.2343 20497.6332 14528.6469 270.9360 -203075.4873 2437.2005 0.0000 0.0000 51906.4534 -109443.3830 298.3071 -161349.8364 -109085.8517 299.3701 76.6165 105.3570 759222.2327 2.1945 2.3628 PRESSURE: 2517800 28.6121 236.692 15.2949 236.692 136.037 30.7629 15.295 30.7648 -118.707 GPRESSURE: 2517800 4.02382 190.497 64.3059 271.215 149.699 13.5577 20.5326 78.6759 -45.9401 PRESSAVG: 2517800 24.7344 -4.09771 -16.6471 -4.0978 -49.6924 11.5502 -16.647 11.5502 10.9854 GPRESSAVG: 2517800 24.5764 -3.58442 -14.4656 -5.07057 -50.6192 9.21773 -16.1039 14.6825 11.7887 TIMING: 2517800 CPU: 7958.63, 0.00319211/step Wall: 7958.63, 0.00319211/step, 2.20096 hours remaining, 240.031250 MB of memory in use. ENERGY: 2517800 4031.8859 20494.1324 14437.2519 256.5463 -203342.8572 2548.5821 0.0000 0.0000 52207.2854 -109367.1732 300.0360 -161574.4586 -109008.4811 300.0958 15.3142 35.9276 759749.3945 -4.6575 -4.7513 PRESSURE: 2518000 50.2376 149.553 -94.2081 149.553 -202.871 50.2769 -94.2089 50.2769 2.81071 GPRESSURE: 2518000 117.07 41.8624 -131.44 41.2911 -215.801 74.663 -216.11 -135.299 19.1912 PRESSAVG: 2518000 35.8161 -0.0359928 -41.401 -0.0359707 10.8907 -28.2808 -41.401 -28.2808 29.9316 GPRESSAVG: 2518000 36.4748 0.332572 -41.4759 -1.39605 12.1675 -24.8553 -42.0864 -32.5193 28.1866 TIMING: 2518000 CPU: 7959.27, 0.0031968/step Wall: 7959.27, 0.0031968/step, 2.20401 hours remaining, 240.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2518000 3982.7293 20309.7694 14377.5182 253.5083 -203012.8082 2436.1166 0.0000 0.0000 52241.5250 -109411.6414 300.2328 -161653.1664 -109041.7935 299.8719 -49.9409 -26.5133 760833.9218 25.5461 25.6096 PRESSURE: 2518200 -127.979 -78.227 -3.02518 -78.227 270.609 185.907 -3.02508 185.907 182.092 GPRESSURE: 2518200 3.75438 -203.443 -36.561 -47.767 239.952 162.762 -23.4461 198.913 145.069 PRESSAVG: 2518200 -8.2039 -12.8606 25.322 -12.8606 -18.8531 -10.6483 25.3221 -10.6482 27.9108 GPRESSAVG: 2518200 -8.46682 -13.1019 22.8717 -11.6309 -19.518 -11.7662 25.9228 -6.82993 28.5976 TIMING: 2518200 CPU: 7959.91, 0.00317167/step Wall: 7959.91, 0.00317167/step, 2.18651 hours remaining, 240.031250 MB of memory in use. ENERGY: 2518200 4083.1401 20305.0708 14436.6295 232.0942 -203266.9892 2603.9647 0.0000 0.0000 52236.2146 -109369.8753 300.2022 -161606.0899 -109009.7722 299.5381 108.2409 129.5919 759670.9692 0.2846 0.2043 PRESSURE: 2518400 -109.321 -18.1572 -106.19 -18.157 -63.3767 48.3863 -106.19 48.3858 205.502 GPRESSURE: 2518400 35.4377 35.5496 -98.3911 23.7988 -113.982 90.9264 4.2346 5.18984 177.914 PRESSAVG: 2518400 -23.2675 -66.3939 -48.0253 -66.3939 3.8243 17.8748 -48.0254 17.8747 -8.91818 GPRESSAVG: 2518400 -22.8863 -67.34 -45.8465 -66.4411 3.15343 16.2246 -49.3019 18.089 -8.49033 TIMING: 2518400 CPU: 7960.54, 0.00318833/step Wall: 7960.54, 0.00318833/step, 2.19782 hours remaining, 240.031250 MB of memory in use. ENERGY: 2518400 4002.4524 20507.0000 14497.9160 235.0321 -203056.9922 2148.1636 0.0000 0.0000 52382.7504 -109283.6777 301.0444 -161666.4281 -108918.2715 300.0756 10.9346 33.1234 760416.8269 -9.4538 -9.4077 PRESSURE: 2518600 -184.785 -42.1877 11.4106 -42.1877 -513.033 128.64 11.4109 128.64 -70.1267 GPRESSURE: 2518600 -174.532 -10.301 -5.69269 -97.5481 -363.391 17.2275 47.1607 151.933 -146.277 PRESSAVG: 2518600 2.06323 13.5007 -34.3165 13.5006 10.7188 -15.8105 -34.3166 -15.8105 -7.31978 GPRESSAVG: 2518600 1.0673 13.3022 -35.5281 13.047 11.8392 -15.3478 -33.3815 -16.8353 -7.44492 TIMING: 2518600 CPU: 7961.19, 0.00321181/step Wall: 7961.19, 0.00321181/step, 2.21383 hours remaining, 240.031250 MB of memory in use. ENERGY: 2518600 3985.0822 20539.5846 14492.8078 252.7628 -203251.6808 2427.1233 0.0000 0.0000 52145.0310 -109409.2890 299.6782 -161554.3201 -109045.4656 299.6149 -255.9815 -228.0666 761768.4541 1.8207 1.8205 PRESSURE: 2518800 50.4945 -129.327 -58.7111 -129.326 -138.357 -32.2696 -58.7116 -32.2698 -10.9851 GPRESSURE: 2518800 77.1575 21.3735 -72.3712 -146.858 -133.161 -80.2767 -54.0322 107.582 28.729 PRESSAVG: 2518800 22.1166 -27.0604 -15.4409 -27.0604 -30.2734 12.8196 -15.4409 12.8197 -7.66101 GPRESSAVG: 2518800 22.1111 -25.0176 -15.7562 -25.5441 -29.4214 13.6323 -15.3654 13.1308 -8.15532 TIMING: 2518800 CPU: 7961.83, 0.0031938/step Wall: 7961.83, 0.0031938/step, 2.20124 hours remaining, 240.031250 MB of memory in use. ENERGY: 2518800 3939.7617 20515.2868 14490.3580 260.7692 -203367.3797 2545.6159 0.0000 0.0000 52096.8882 -109518.6999 299.4015 -161615.5881 -109151.4702 299.2971 -32.9492 -9.0915 760358.1580 -5.2726 -5.1552 PRESSURE: 2519000 206.635 -40.8605 -440.318 -40.8612 277.7 18.5481 -440.317 18.5487 -81.9717 GPRESSURE: 2519000 217.356 -131.508 -341.45 -49.2015 347.116 23.2745 -344.683 -201.637 -77.5802 PRESSAVG: 2519000 -71.392 -62.6972 -14.6931 -62.6972 58.7406 -20.1839 -14.6931 -20.1839 -14.3689 GPRESSAVG: 2519000 -71.7266 -63.3293 -13.9766 -64.0581 58.4345 -18.6909 -13.7207 -22.5532 -13.9354 TIMING: 2519000 CPU: 7962.46, 0.00318226/step Wall: 7962.46, 0.00318226/step, 2.19311 hours remaining, 240.031250 MB of memory in use. ENERGY: 2519000 3996.9759 20635.6353 14429.6974 225.6378 -203839.2116 2939.1785 0.0000 0.0000 52021.4572 -109590.6294 298.9680 -161612.0866 -109228.4822 299.2910 134.1212 162.2972 757826.4418 -9.0068 -9.0758 PRESSURE: 2519200 -85.1274 68.3436 -3.55387 68.3436 -205.233 -63.0838 -3.55415 -63.084 359.599 GPRESSURE: 2519200 -32.4681 27.0323 46.3153 159.14 -149.476 -140.536 77.4509 66.4926 340.984 PRESSAVG: 2519200 36.5244 -8.67154 -42.3893 -8.67153 -70.6742 17.6351 -42.3893 17.6351 23.0978 GPRESSAVG: 2519200 37.4033 -8.74865 -42.2972 -9.62397 -72.05 17.7569 -44.1438 18.8199 23.592 TIMING: 2519200 CPU: 7963.09, 0.0031557/step Wall: 7963.09, 0.0031557/step, 2.17463 hours remaining, 240.031250 MB of memory in use. ENERGY: 2519200 3985.4786 20571.9516 14485.6566 239.6285 -202979.7586 2336.9226 0.0000 0.0000 52035.0754 -109325.0454 299.0463 -161360.1208 -108962.2082 299.6174 23.0796 53.0136 760029.4708 -3.6840 -3.6849 PRESSURE: 2519400 370.581 -203.158 88.412 -203.158 125.864 23.2187 88.4116 23.2189 -365.239 GPRESSURE: 2519400 275.437 -104.555 113.288 -217.632 187.9 78.0507 -34.468 -129.924 -236.444 PRESSAVG: 2519400 9.61324 -64.4331 -47.5583 -64.4331 -35.3269 -64.7935 -47.5584 -64.7935 10.6786 GPRESSAVG: 2519400 7.57902 -64.2952 -48.5292 -62.6728 -33.9551 -67.836 -48.3628 -63.6705 11.9574 TIMING: 2519400 CPU: 7963.73, 0.00316813/step Wall: 7963.73, 0.00316813/step, 2.18302 hours remaining, 240.031250 MB of memory in use. ENERGY: 2519400 3999.6567 20569.6632 14468.2838 240.2207 -203649.4836 2741.3755 0.0000 0.0000 52179.2598 -109451.0238 299.8749 -161630.2836 -109082.0375 300.1047 43.7353 75.6309 760634.7461 -5.0117 -4.8062 PRESSURE: 2519600 -193.6 -0.365405 -255.934 -0.364842 88.2269 -83.4247 -255.935 -83.4256 48.587 GPRESSURE: 2519600 -180.708 53.9649 -323.604 21.3655 104.258 -33.6071 -92.5949 -74.0151 96.9087 PRESSAVG: 2519600 -22.5585 -60.37 -64.6604 -60.3699 -10.3808 -40.8182 -64.6604 -40.8182 -27.1007 GPRESSAVG: 2519600 -21.085 -60.3038 -63.7124 -61.4198 -10.8057 -38.7034 -63.1282 -42.7253 -27.9281 TIMING: 2519600 CPU: 7964.36, 0.00316958/step Wall: 7964.36, 0.00316958/step, 2.18384 hours remaining, 240.031250 MB of memory in use. ENERGY: 2519600 4037.8765 20702.2966 14406.3732 220.4525 -203260.4500 2434.2076 0.0000 0.0000 51913.1547 -109546.0888 298.3456 -161459.2436 -109190.4284 299.5650 -18.9286 6.8195 760239.6657 -20.0134 -19.9396 PRESSURE: 2519800 -262.74 -154.341 80.0649 -154.342 168.25 149.47 80.0651 149.47 -322.805 GPRESSURE: 2519800 -279.245 -47.1068 166.054 -79.8875 255.396 107.999 74.7148 66.8179 -305.21 PRESSAVG: 2519800 -11.7655 -16.7436 2.73294 -16.7437 -1.50493 -40.6976 2.7329 -40.6976 0.435092 GPRESSAVG: 2519800 -11.6604 -17.1141 1.36606 -16.7533 -1.96238 -41.2387 2.28266 -39.0559 0.874541 TIMING: 2519800 CPU: 7964.99, 0.0031578/step Wall: 7964.99, 0.0031578/step, 2.17555 hours remaining, 240.031250 MB of memory in use. ENERGY: 2519800 4044.0296 20428.0528 14462.7677 246.1706 -203316.9223 2349.6105 0.0000 0.0000 52333.6189 -109452.6721 300.7620 -161786.2911 -109093.5468 299.3698 -139.0986 -109.6864 761028.0074 -4.2784 -4.2494 PRESSURE: 2520000 -43.3126 -3.92745 -153.267 -3.92736 137.596 -88.0221 -153.268 -88.0223 -289.573 GPRESSURE: 2520000 -21.4904 -4.34299 -177.997 3.18676 143.179 59.6305 -105.486 -146.72 -226.839 PRESSAVG: 2520000 -28.288 -19.0444 63.0735 -19.0443 31.476 -40.8583 63.0734 -40.8583 21.4884 GPRESSAVG: 2520000 -26.7768 -17.4069 62.7939 -18.5909 31.6047 -39.6531 64.3953 -44.2125 20.7143 TIMING: 2520000 CPU: 7965.62, 0.00315734/step Wall: 7965.62, 0.00315734/step, 2.17505 hours remaining, 240.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2520000 3991.2387 20666.8494 14429.3816 269.5259 -203164.8936 2455.7231 0.0000 0.0000 52022.4408 -109329.7340 298.9737 -161352.1749 -108963.7697 299.3619 -65.0964 -35.0502 761164.3679 8.2255 8.5141 PRESSURE: 2520200 -0.997598 14.391 -8.74989 14.3911 -146.131 33.5172 -8.74937 33.5179 -63.193 GPRESSURE: 2520200 55.069 12.836 -90.6254 51.514 -161.264 85.6906 10.8934 -19.0257 -8.33986 PRESSAVG: 2520200 -5.74394 -2.02533 -37.8782 -2.02531 41.1619 -5.35881 -37.8783 -5.35877 -13.4883 GPRESSAVG: 2520200 -6.97578 -2.35134 -36.7572 -2.72759 41.1047 -5.51536 -39.2806 -3.83563 -12.3186 TIMING: 2520200 CPU: 7966.26, 0.00318821/step Wall: 7966.26, 0.00318821/step, 2.19614 hours remaining, 240.031250 MB of memory in use. ENERGY: 2520200 3999.0993 20268.5228 14528.4453 247.4591 -203088.4729 2324.1659 0.0000 0.0000 52326.2851 -109394.4954 300.7199 -161720.7805 -109031.1033 299.6583 -70.1073 -38.1782 760584.8859 7.3099 7.2701 LDB: ============= START OF LOAD BALANCING ============== 7978.66 LDB: ============== END OF LOAD BALANCING =============== 7978.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7978.67 LDB: ============= START OF LOAD BALANCING ============== 7978.99 LDB: Largest compute 7075 load 0.035333 is 18.0% of average load 0.195994 LDB: Average compute 0.004379 is 2.2% of average load 0.195994 LDB: TIME 7978.99 LOAD: AVG 0.195994 MAX 0.218712 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 7978.99 LOAD: AVG 0.195994 MAX 0.218712 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.32 MB LDB: TIME 7978.99 LOAD: AVG 0.195994 MAX 0.218712 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.32 MB LDB: ============== END OF LOAD BALANCING =============== 7978.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7979 PRESSURE: 2520400 -124.839 -31.66 129.219 -31.6597 -70.5902 149.68 129.218 149.68 -76.1256 GPRESSURE: 2520400 -113.056 -23.7717 112.312 -39.721 -85.2093 55.9136 75.9348 118.219 0.783065 PRESSAVG: 2520400 -29.5974 -8.66592 -4.4779 -8.66594 40.1246 -30.3989 -4.478 -30.3989 -1.04522 GPRESSAVG: 2520400 -30.0573 -9.08165 -3.61328 -7.79101 41.6629 -30.9471 -4.43032 -28.3627 -1.26542 TIMING: 2520400 CPU: 7966.91, 0.00326069/step Wall: 7966.91, 0.00326069/step, 2.24589 hours remaining, 239.125000 MB of memory in use. ENERGY: 2520400 3981.5444 20718.2303 14443.9746 233.9599 -203178.7723 2287.1752 0.0000 0.0000 52019.4289 -109494.4592 298.9564 -161513.8881 -109137.2385 299.4018 -90.5184 -65.8273 761543.1691 3.1607 3.4467 PRESSURE: 2520600 -293.035 -63.8225 -178.902 -63.8225 -51.0918 -28.9061 -178.903 -28.9054 -162.635 GPRESSURE: 2520600 -261.36 -52.6725 -104.861 60.9437 -12.8696 -89.9953 -97.3066 22.5678 -173.227 PRESSAVG: 2520600 6.49007 41.2002 19.8167 41.2003 -12.7387 23.7192 19.8167 23.7192 5.15265 GPRESSAVG: 2520600 8.1562 39.7549 20.3456 41.7739 -14.8272 22.4319 18.2374 23.6364 4.74644 TIMING: 2520600 CPU: 7967.55, 0.00320425/step Wall: 7967.55, 0.00320425/step, 2.20684 hours remaining, 239.125000 MB of memory in use. ENERGY: 2520600 3924.0895 20630.9721 14540.2457 249.9381 -202939.1180 2265.0485 0.0000 0.0000 52060.4985 -109268.3256 299.1924 -161328.8241 -108898.9929 299.6590 -168.9208 -149.1521 760920.7437 -0.3653 -0.6415 PRESSURE: 2520800 -180.175 -48.6202 108.069 -48.62 -95.1771 -109.177 108.068 -109.177 247.587 GPRESSURE: 2520800 -111.683 -156.638 68.3583 6.99533 -12.1895 -90.5306 82.76 -70.991 198.75 PRESSAVG: 2520800 4.0494 -54.7707 -13.633 -54.7707 -29.0524 -22.5388 -13.6331 -22.5387 -1.79255 GPRESSAVG: 2520800 2.05883 -53.9175 -13.7047 -53.7933 -26.8686 -23.8595 -12.5581 -22.3151 -1.91529 TIMING: 2520800 CPU: 7968.19, 0.00319049/step Wall: 7968.19, 0.00319049/step, 2.19718 hours remaining, 239.125000 MB of memory in use. ENERGY: 2520800 3967.3313 20567.7304 14470.4652 253.0142 -203278.8956 2505.7078 0.0000 0.0000 52476.9763 -109037.6705 301.5859 -161514.6468 -108676.1569 300.0942 -9.2549 24.9593 759443.9548 -8.9318 -8.9083 PRESSURE: 2521000 -52.7315 -18.2663 181.54 -18.2659 107.236 88.3281 181.54 88.3273 420.795 GPRESSURE: 2521000 -11.0081 98.1453 172.606 33.7479 123.29 7.86894 128.673 101.636 425.509 PRESSAVG: 2521000 11.3648 -28.9335 30.6226 -28.9335 9.39612 30.1147 30.6226 30.1147 -2.51259 GPRESSAVG: 2521000 10.2647 -27.2187 29.6622 -30.7803 9.20072 32.1228 32.0315 28.4299 -1.74383 TIMING: 2521000 CPU: 7968.82, 0.0031551/step Wall: 7968.82, 0.0031551/step, 2.17263 hours remaining, 239.125000 MB of memory in use. ENERGY: 2521000 3961.6761 20536.7995 14470.1751 239.2442 -203203.8359 2366.2336 0.0000 0.0000 52573.6204 -109056.0870 302.1413 -161629.7074 -108701.8994 300.9829 158.4332 179.2637 759204.1017 6.0828 5.9072 PRESSURE: 2521200 -136.024 29.4783 -89.883 29.4785 -35.9914 -7.05498 -89.8831 -7.05507 -422.997 GPRESSURE: 2521200 -194.946 5.77801 -124.97 -9.5165 110.096 -90.3584 -108.246 20.4813 -421.541 PRESSAVG: 2521200 -47.8009 -20.6474 -50.6579 -20.6474 35.298 -22.0657 -50.658 -22.0657 -27.3369 GPRESSAVG: 2521200 -47.3688 -22.3933 -50.078 -20.8116 36.1972 -23.6988 -50.8977 -21.0249 -28.4425 TIMING: 2521200 CPU: 7969.46, 0.00317892/step Wall: 7969.46, 0.00317892/step, 2.18886 hours remaining, 239.125000 MB of memory in use. ENERGY: 2521200 4007.7858 20764.2613 14490.2715 253.6047 -202977.5401 2340.4329 0.0000 0.0000 52144.4177 -108976.7661 299.6747 -161121.1839 -108621.1626 300.8357 -198.3376 -168.7970 760467.6869 -13.2799 -13.2047 PRESSURE: 2521400 199.042 -110.863 69.0714 -110.862 -249.687 -201.218 69.0715 -201.218 7.65095 GPRESSURE: 2521400 181.381 -210.957 81.571 -203.975 -194.773 -128.781 43.6958 -180.987 54.4558 PRESSAVG: 2521400 24.4602 -7.93079 19.6405 -7.9308 17.0619 -33.8012 19.6405 -33.8012 -11.1561 GPRESSAVG: 2521400 25.1164 -9.79844 19.2076 -7.24923 16.6641 -33.7366 18.4015 -32.528 -11.5391 TIMING: 2521400 CPU: 7970.09, 0.00317053/step Wall: 7970.09, 0.00317053/step, 2.18291 hours remaining, 239.125000 MB of memory in use. ENERGY: 2521400 3970.7074 20535.8333 14539.4718 250.3669 -203122.5729 2457.0892 0.0000 0.0000 52368.4249 -109000.6794 300.9621 -161369.1043 -108636.7486 300.7793 -14.3314 13.6880 759310.5731 10.1220 10.0804 PRESSURE: 2521600 -6.17088 -133.468 -74.6872 -133.469 -221.48 24.9773 -74.6867 24.977 -217.923 GPRESSURE: 2521600 35.77 -18.4328 -69.446 -174.215 -176.156 114.006 -36.7664 -35.013 -213.572 PRESSAVG: 2521600 -17.181 -25.9268 -43.8637 -25.9268 34.8324 -31.0068 -43.8638 -31.0069 -15.5232 GPRESSAVG: 2521600 -16.9453 -23.9812 -42.5088 -26.3104 35.3525 -30.9003 -44.2372 -31.2345 -16.8374 TIMING: 2521600 CPU: 7970.73, 0.00317006/step Wall: 7970.73, 0.00317006/step, 2.18241 hours remaining, 239.125000 MB of memory in use. ENERGY: 2521600 3997.9505 20770.4932 14536.5915 264.7889 -203322.1680 2653.9407 0.0000 0.0000 52126.5761 -108971.8272 299.5721 -161098.4032 -108616.9722 301.0493 -148.5246 -117.9861 759294.3461 0.7094 0.5232 PRESSURE: 2521800 209.927 -328.127 128.972 -328.126 -102.696 87.7742 128.971 87.7746 -369.252 GPRESSURE: 2521800 261.647 -215.003 133.508 -395.032 -82.7107 88.0812 93.04 -120.097 -340.722 PRESSAVG: 2521800 46.9961 -17.571 14.2218 -17.5709 -47.6767 -4.18818 14.2219 -4.1882 -14.8401 GPRESSAVG: 2521800 47.1401 -16.5706 13.3848 -17.4381 -48.7659 -4.84883 15.4856 -5.42856 -14.2761 TIMING: 2521800 CPU: 7971.36, 0.00317284/step Wall: 7971.36, 0.00317284/step, 2.18415 hours remaining, 239.125000 MB of memory in use. ENERGY: 2521800 4019.7773 20701.3934 14467.7808 248.9380 -203123.3445 2527.0019 0.0000 0.0000 52166.7632 -108991.6900 299.8031 -161158.4532 -108624.5348 300.8085 -87.3402 -53.9286 760712.4060 -5.1736 -5.3006 PRESSURE: 2522000 118.985 -12.1721 26.8657 -12.1722 88.2104 -124.674 26.8654 -124.674 -26.273 GPRESSURE: 2522000 103.101 43.4283 57.85 -58.7907 121.357 -97.1192 -69.2952 -157.741 17.0887 PRESSAVG: 2522000 55.6849 -33.1466 -60.9265 -33.1466 -34.3588 13.063 -60.9265 13.063 23.1431 GPRESSAVG: 2522000 55.3911 -34.326 -60.5883 -33.0808 -35.124 10.7475 -61.2971 15.5089 24.5177 TIMING: 2522000 CPU: 7972, 0.00319384/step Wall: 7972, 0.00319384/step, 2.19843 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2522000 3946.7209 20729.0376 14438.4543 256.1421 -203472.3803 2747.7049 0.0000 0.0000 52114.5953 -109239.7252 299.5033 -161354.3205 -108883.5631 299.8680 60.3076 80.5156 760824.9647 14.8230 14.9282 PRESSURE: 2522200 -53.672 6.25111 40.9514 6.2505 454.723 -167.684 40.9516 -167.683 -31.9216 GPRESSURE: 2522200 71.3417 -104.405 89.4373 4.71683 344.168 -117.31 7.57271 -112.717 21.2871 PRESSAVG: 2522200 -15.1902 -25.6559 -45.8306 -25.6559 -7.06611 -2.94193 -45.8307 -2.94192 -10.3108 GPRESSAVG: 2522200 -14.2086 -24.0231 -47.2078 -23.4887 -8.16583 -0.0259949 -46.2553 -3.75939 -10.021 TIMING: 2522200 CPU: 7972.64, 0.00317098/step Wall: 7972.64, 0.00317098/step, 2.18252 hours remaining, 239.125000 MB of memory in use. ENERGY: 2522200 3941.5578 20582.9392 14440.2563 225.1566 -203120.5547 2557.2476 0.0000 0.0000 51869.3053 -109504.0919 298.0936 -161373.3972 -109143.9613 299.5405 123.0431 145.5990 761578.3982 -10.8557 -10.7984 PRESSURE: 2522400 -9.39246 34.7257 400.732 34.7247 -9.65801 -41.9381 400.732 -41.9378 197.023 GPRESSURE: 2522400 25.6409 130.723 525.843 -54.424 46.7657 -21.5793 281.477 -72.3029 186.694 PRESSAVG: 2522400 -38.4401 -4.9696 -16.5602 -4.96963 13.8876 6.64893 -16.5602 6.64888 -12.9996 GPRESSAVG: 2522400 -39.4769 -6.88593 -13.8318 -5.32834 16.4308 5.72466 -18.5322 6.92904 -14.448 TIMING: 2522400 CPU: 7973.27, 0.00317663/step Wall: 7973.27, 0.00317663/step, 2.18622 hours remaining, 239.125000 MB of memory in use. ENERGY: 2522400 3960.7317 20546.0941 14412.0388 247.4353 -203181.4429 2543.4179 0.0000 0.0000 51956.5032 -109515.2219 298.5947 -161471.7251 -109153.1350 298.4544 59.3241 86.3668 761303.4283 -12.5174 -12.4980 PRESSURE: 2522600 -90.5939 -297.056 -52.3742 -297.056 40.2672 206.067 -52.3739 206.067 -63.7136 GPRESSURE: 2522600 -79.9979 -347.734 -119.946 -238.682 111.184 114.64 -114.141 177.632 -63.1845 PRESSAVG: 2522600 -61.1923 -37.2153 30.1107 -37.2152 60.6034 -9.90133 30.1107 -9.90134 3.83769 GPRESSAVG: 2522600 -61.2731 -36.3481 28.4092 -38.1826 60.2248 -9.63383 32.2139 -10.3918 4.32322 TIMING: 2522600 CPU: 7973.9, 0.00316804/step Wall: 7973.9, 0.00316804/step, 2.18014 hours remaining, 239.125000 MB of memory in use. ENERGY: 2522600 3985.1126 20407.4942 14465.9057 245.2800 -203015.5726 2535.3828 0.0000 0.0000 51944.7360 -109431.6613 298.5271 -161376.3974 -109067.7178 298.8750 -38.0134 -10.6661 761912.2467 1.0829 1.0917 PRESSURE: 2522800 90.3239 190.058 53.4487 190.058 226.331 83.0339 53.4498 83.0347 42.4689 GPRESSURE: 2522800 168.355 226.928 30.7589 187.754 195.451 143.3 136.172 92.6458 53.7639 PRESSAVG: 2522800 -5.40782 11.8764 55.679 11.8764 5.98928 -4.22925 55.6791 -4.22914 -37.7019 GPRESSAVG: 2522800 -5.36995 12.3824 54.1468 10.5036 4.9838 -3.35557 56.4626 -5.16481 -37.0236 TIMING: 2522800 CPU: 7974.55, 0.00321536/step Wall: 7974.55, 0.00321536/step, 2.21253 hours remaining, 239.125000 MB of memory in use. ENERGY: 2522800 3928.6557 20580.5052 14486.8813 259.0929 -203371.5171 2777.0144 0.0000 0.0000 51866.2251 -109473.1425 298.0759 -161339.3676 -109116.6048 298.8993 119.7078 139.1900 760316.0226 -12.3735 -12.4699 PRESSURE: 2523000 -4.5925 19.337 -103.084 19.3368 -31.4346 -280.344 -103.084 -280.345 -262.246 GPRESSURE: 2523000 0.807809 -20.8994 -58.8549 -18.8317 -5.60825 -363.758 -103.185 -95.1112 -206.006 PRESSAVG: 2523000 -56.7734 -14.0706 64.9049 -14.0705 60.0627 -4.1963 64.905 -4.19632 10.5136 GPRESSAVG: 2523000 -56.1562 -15.039 66.9603 -11.973 60.4239 -5.06975 63.5637 -1.65223 10.3386 TIMING: 2523000 CPU: 7975.18, 0.00317673/step Wall: 7975.18, 0.00317673/step, 2.18576 hours remaining, 239.125000 MB of memory in use. ENERGY: 2523000 3980.5815 20427.7988 14375.2533 253.9075 -202977.1778 2550.0154 0.0000 0.0000 51947.2345 -109442.3868 298.5415 -161389.6213 -109069.0415 298.7462 -99.4243 -70.2688 762136.2865 4.6010 4.8688 PRESSURE: 2523200 44.073 -187.366 19.7153 -187.366 111.827 36.004 19.7145 36.0033 -228.864 GPRESSURE: 2523200 78.8544 30.7067 117.111 -46.1843 125.631 -50.6168 -103.257 27.5081 -196.479 PRESSAVG: 2523200 -29.9267 -27.9249 33.4018 -27.9249 44.986 -37.2936 33.4018 -37.2937 -28.6346 GPRESSAVG: 2523200 -30.2821 -28.2604 33.4192 -26.2891 45.3321 -37.6866 32.7872 -38.7821 -28.9476 TIMING: 2523200 CPU: 7975.82, 0.00319238/step Wall: 7975.82, 0.00319238/step, 2.19636 hours remaining, 239.125000 MB of memory in use. ENERGY: 2523200 4016.1195 20322.1932 14543.2803 229.4909 -203268.3178 2599.5982 0.0000 0.0000 51798.0678 -109759.5679 297.6842 -161557.6356 -109400.5324 298.0356 -24.3211 2.6687 761971.0247 -4.5251 -4.6325 PRESSURE: 2523400 -21.4532 -45.6336 -8.98736 -45.634 -129.832 123.047 -8.98726 123.048 -129.051 GPRESSURE: 2523400 -12.3753 -97.865 -110.589 -1.83344 -92.7416 140.579 92.4659 128.078 -104.809 PRESSAVG: 2523400 -54.2052 -9.78171 4.87262 -9.78171 67.8884 10.6596 4.87261 10.6596 -23.3611 GPRESSAVG: 2523400 -54.8953 -10.2101 2.97323 -10.5046 68.5084 11.2756 5.88606 9.16629 -23.5581 TIMING: 2523400 CPU: 7976.47, 0.00322198/step Wall: 7976.47, 0.00322198/step, 2.21654 hours remaining, 239.125000 MB of memory in use. ENERGY: 2523400 3979.8409 20482.6129 14525.4759 275.1984 -203138.7998 2536.2166 0.0000 0.0000 51662.5612 -109676.8938 296.9054 -161339.4550 -109313.6967 298.5289 -93.4454 -69.9754 761140.0162 -3.2260 -3.3150 PRESSURE: 2523600 -181.172 161.43 83.6162 161.431 -339.772 31.5928 83.6172 31.5917 -235.258 GPRESSURE: 2523600 -228.494 76.0467 -4.86993 170.838 -267.883 67.5544 30.2317 35.988 -166.308 PRESSAVG: 2523600 -43.9382 22.0075 -10.9535 22.0074 -6.13418 -52.1825 -10.9536 -52.1826 1.03535 GPRESSAVG: 2523600 -43.9623 22.9007 -10.6245 19.9045 -6.51341 -50.677 -11.3011 -52.5642 1.88641 TIMING: 2523600 CPU: 7977.11, 0.0032135/step Wall: 7977.11, 0.0032135/step, 2.21053 hours remaining, 239.125000 MB of memory in use. ENERGY: 2523600 4032.4824 20417.7206 14445.7641 255.0929 -203458.2901 2553.3207 0.0000 0.0000 52010.9343 -109742.9750 298.9076 -161753.9093 -109385.4906 298.6632 -252.0675 -220.8952 762217.6091 -16.3457 -16.1964 PRESSURE: 2523800 439.995 -66.9988 16.5923 -66.9999 254.535 106.93 16.5922 106.929 310.126 GPRESSURE: 2523800 412.136 -50.556 10.9513 29.5602 276.493 138.236 40.0427 227.987 353.027 PRESSAVG: 2523800 -34.6251 -11.0986 61.4686 -11.0986 55.2346 -37.0252 61.4686 -37.0251 -18.3363 GPRESSAVG: 2523800 -33.4281 -10.4032 62.7086 -8.50538 54.3348 -39.1667 61.8178 -36.8557 -18.4541 TIMING: 2523800 CPU: 7977.75, 0.00319566/step Wall: 7977.75, 0.00319567/step, 2.19809 hours remaining, 239.125000 MB of memory in use. ENERGY: 2523800 3948.0658 20657.9680 14455.0117 250.3616 -204189.8644 2899.3353 0.0000 0.0000 52221.1305 -109757.9915 300.1156 -161979.1220 -109391.4712 298.2572 334.8855 347.2187 760284.3473 0.7577 0.8175 PRESSURE: 2524000 -1.20577 -45.2526 -97.1644 -45.2523 27.7861 -8.89001 -97.1636 -8.88977 -39.3012 GPRESSURE: 2524000 43.3828 24.6976 -103.656 -4.00148 80.8576 3.52031 -125.595 -152.942 -45.6427 PRESSAVG: 2524000 -29.8442 -8.73857 17.9761 -8.73857 48.0691 -2.66793 17.976 -2.66786 17.0373 GPRESSAVG: 2524000 -31.1673 -11.1188 17.0307 -10.1204 48.9537 -2.72314 17.1036 -0.326377 17.3945 TIMING: 2524000 CPU: 7978.39, 0.00319151/step Wall: 7978.39, 0.00319151/step, 2.19505 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2524000 4037.0537 20488.4124 14476.5273 239.6939 -203530.5952 2596.3653 0.0000 0.0000 52225.0518 -109467.4910 300.1381 -161692.5428 -109100.1845 299.1438 -4.2403 26.1992 761666.0555 11.7541 11.7270 PRESSURE: 2524200 287.086 75.807 -60.2181 75.8077 62.2275 -98.5595 -60.2175 -98.5596 -330.655 GPRESSURE: 2524200 297.506 -27.5943 -33.79 34.754 145.485 -49.6639 -95.3042 -81.001 -327.884 PRESSAVG: 2524200 -22.8225 -19.7674 -48.6892 -19.7674 13.4779 21.6334 -48.6892 21.6333 24.7871 GPRESSAVG: 2524200 -20.5943 -17.6756 -47.9593 -21.8889 13.5007 22.1975 -48.5148 20.6898 23.3598 TIMING: 2524200 CPU: 7979.03, 0.003199/step Wall: 7979.03, 0.003199/step, 2.20002 hours remaining, 239.125000 MB of memory in use. ENERGY: 2524200 3967.1836 20417.6681 14442.0628 253.8243 -203341.2760 2410.6812 0.0000 0.0000 52163.0908 -109686.7653 299.7820 -161849.8562 -109322.7308 299.3898 6.2197 38.3689 760991.6873 5.1475 5.4221 LDB: ============= START OF LOAD BALANCING ============== 7991.43 LDB: ============== END OF LOAD BALANCING =============== 7991.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7991.43 LDB: ============= START OF LOAD BALANCING ============== 7991.75 LDB: Largest compute 7058 load 0.034696 is 17.7% of average load 0.196062 LDB: Average compute 0.004384 is 2.2% of average load 0.196062 LDB: TIME 7991.75 LOAD: AVG 0.196062 MAX 0.220171 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.434 MB LDB: TIME 7991.75 LOAD: AVG 0.196062 MAX 0.220171 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.5 MB LDB: TIME 7991.75 LOAD: AVG 0.196062 MAX 0.216233 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.5 MB LDB: ============== END OF LOAD BALANCING =============== 7991.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7991.76 PRESSURE: 2524400 -315.788 27.3429 254.577 27.3433 -317.871 34.0408 254.578 34.0401 -372.036 GPRESSURE: 2524400 -333.149 45.7662 292.971 -6.25087 -281.088 41.9676 136.951 62.4907 -307.844 PRESSAVG: 2524400 -5.86187 -20.8248 -4.48164 -20.8247 -25.4087 -19.5827 -4.48169 -19.5826 6.66923 GPRESSAVG: 2524400 -6.55954 -20.3128 -4.27152 -19.7561 -26.0513 -18.6788 -4.91938 -19.4211 7.67992 TIMING: 2524400 CPU: 7979.68, 0.00326/step Wall: 7979.68, 0.00326/step, 2.24179 hours remaining, 238.410156 MB of memory in use. ENERGY: 2524400 3987.1888 20462.8803 14392.8743 260.9830 -203400.9054 2263.2667 0.0000 0.0000 52262.7443 -109770.9680 300.3547 -162033.7123 -109398.9246 299.1094 -335.2313 -307.3603 761410.1331 -8.2004 -8.3103 PRESSURE: 2524600 -189.547 35.1975 -192.063 35.1971 -265.546 198.721 -192.064 198.722 -36.7662 GPRESSURE: 2524600 -188.78 -121.827 -175.33 7.00685 -192.343 120.382 -132.02 197.676 -28.6068 PRESSAVG: 2524600 20.8276 -65.3362 28.0226 -65.3362 -16.4771 5.89118 28.0226 5.89117 4.55386 GPRESSAVG: 2524600 20.6922 -66.5259 26.9845 -65.3131 -16.5076 5.93693 28.3551 7.00227 5.08034 TIMING: 2524600 CPU: 7980.32, 0.00319272/step Wall: 7980.32, 0.00319272/step, 2.19535 hours remaining, 238.410156 MB of memory in use. ENERGY: 2524600 3980.5077 20590.0631 14498.4369 241.7466 -203113.9824 2339.9041 0.0000 0.0000 51935.5238 -109527.8001 298.4742 -161463.3239 -109174.7229 298.9664 -163.9531 -136.5766 762576.7758 2.9681 3.0883 PRESSURE: 2524800 -174.198 -171.855 296.117 -171.854 139.377 136.569 296.116 136.569 509.979 GPRESSURE: 2524800 -167.969 -108.594 280.087 -160.887 182.197 88.7536 252.003 132.014 524.898 PRESSAVG: 2524800 5.30749 -82.188 -7.11306 -82.1881 -15.8494 -22.3595 -7.1131 -22.3594 1.60205 GPRESSAVG: 2524800 6.35215 -82.5426 -5.27724 -83.3812 -16.9856 -23.4618 -5.15922 -22.4404 1.19713 TIMING: 2524800 CPU: 7980.95, 0.00319177/step Wall: 7980.95, 0.00319177/step, 2.19452 hours remaining, 238.410156 MB of memory in use. ENERGY: 2524800 3949.0143 20511.7149 14469.6056 233.3666 -203711.3670 2785.4840 0.0000 0.0000 52205.2568 -109556.9246 300.0243 -161762.1815 -109193.8999 299.6195 158.3859 179.7086 761400.5067 -2.9799 -3.1454 PRESSURE: 2525000 -157.313 -157.992 -31.0073 -157.993 -75.3453 -46.9524 -31.0072 -46.9521 88.3386 GPRESSURE: 2525000 -130.808 -174.429 15.279 -59.3534 -45.2455 -54.5484 46.1279 -34.531 109.667 PRESSAVG: 2525000 9.08068 1.93954 12.9042 1.93961 -34.5845 0.16709 12.9042 0.167138 2.94566 GPRESSAVG: 2525000 7.53834 2.34897 10.614 2.27277 -33.6137 -0.0227351 14.8355 -1.14581 2.49145 TIMING: 2525000 CPU: 7981.6, 0.00322864/step Wall: 7981.6, 0.00322864/step, 2.21969 hours remaining, 238.410156 MB of memory in use. ENERGY: 2525000 3990.8089 20493.7255 14524.5362 242.3564 -203802.9000 2873.3487 0.0000 0.0000 52082.9658 -109595.1584 299.3215 -161678.1242 -109229.5180 299.0018 -48.1064 -22.1289 761411.0305 -7.5194 -7.8613 PRESSURE: 2525200 6.80343 125.03 162.955 125.03 135.349 23.9985 162.955 23.9981 164.627 GPRESSURE: 2525200 64.709 92.36 185.143 172.227 132.647 3.13783 142.812 72.2781 207.99 PRESSAVG: 2525200 -24.617 -4.16171 32.6567 -4.16168 -23.1803 -34.474 32.6568 -34.474 -19.4347 GPRESSAVG: 2525200 -24.3334 -5.22022 34.2762 -3.77133 -22.8484 -34.8973 27.3814 -32.6534 -19.5076 TIMING: 2525200 CPU: 7982.24, 0.00321181/step Wall: 7982.24, 0.00321181/step, 2.20794 hours remaining, 238.410156 MB of memory in use. ENERGY: 2525200 3917.7969 20434.6935 14493.0460 247.8052 -203237.6843 2519.5610 0.0000 0.0000 51972.1542 -109652.6275 298.6847 -161624.7817 -109284.3495 299.5973 102.2598 135.1156 762871.0211 -22.4107 -22.2298 PRESSURE: 2525400 114.177 22.932 -62.6178 22.9318 -213.177 -25.9959 -62.6185 -25.9961 46.4912 GPRESSURE: 2525400 202.524 48.998 -75.884 6.29004 -201.121 -35.0238 -234.89 64.8085 38.5701 PRESSAVG: 2525400 13.7698 -19.2986 0.618163 -19.2986 -69.2585 -35.2531 0.618182 -35.253 -0.718817 GPRESSAVG: 2525400 14.347 -18.0795 0.21978 -16.3543 -70.2962 -34.6238 0.66388 -36.7435 0.0323539 TIMING: 2525400 CPU: 7982.88, 0.0031746/step Wall: 7982.88, 0.0031746/step, 2.18218 hours remaining, 238.410156 MB of memory in use. ENERGY: 2525400 4031.2887 20407.6998 14491.3991 243.4519 -203598.1680 2855.7911 0.0000 0.0000 52056.9280 -109511.6095 299.1719 -161568.5374 -109151.4546 299.1938 -17.5029 13.3246 761996.7334 -18.7358 -18.6389 PRESSURE: 2525600 123.841 50.4907 -100.065 50.4905 260.947 -102.673 -100.066 -102.673 120.658 GPRESSURE: 2525600 250.278 42.1687 -64.2613 -43.6091 190.637 -109.534 -50.7929 -78.5312 151.79 PRESSAVG: 2525600 14.6573 -16.5507 4.06683 -16.5507 15.2294 -60.3115 4.06688 -60.3115 -25.6624 GPRESSAVG: 2525600 14.9817 -16.0482 2.42469 -19.6705 15.2491 -60.7697 6.13016 -58.8143 -25.7791 TIMING: 2525600 CPU: 7983.51, 0.00318096/step Wall: 7983.51, 0.00318096/step, 2.18638 hours remaining, 238.410156 MB of memory in use. ENERGY: 2525600 3975.5313 20622.4078 14511.5147 246.6015 -203428.2998 2426.4039 0.0000 0.0000 52180.9795 -109464.8611 299.8848 -161645.8406 -109109.3205 299.3846 168.4820 197.5683 759882.5478 1.4081 1.4839 PRESSURE: 2525800 -37.0381 -112.816 206.346 -112.815 -212.29 -171.071 206.344 -171.072 128.204 GPRESSURE: 2525800 57.818 -116.434 160.946 -60.7111 -196.837 -154.938 177.027 -58.4171 121.183 PRESSAVG: 2525800 -0.675055 11.1117 17.1607 11.1116 -1.77673 -12.2784 17.1607 -12.2784 -13.7302 GPRESSAVG: 2525800 -1.31114 10.096 17.2024 12.9164 -0.70849 -11.9817 15.8621 -13.7409 -13.8824 TIMING: 2525800 CPU: 7984.15, 0.00317849/step Wall: 7984.15, 0.00317849/step, 2.18451 hours remaining, 238.410156 MB of memory in use. ENERGY: 2525800 3985.3156 20564.9596 14484.3357 252.8677 -203453.9294 2718.0116 0.0000 0.0000 52044.2168 -109404.2224 299.0988 -161448.4393 -109051.4113 299.7007 -40.3748 -5.9454 761574.1471 -5.3940 -5.3007 PRESSURE: 2526000 -526.965 224.903 161.5 224.903 -215.511 84.1783 161.499 84.177 12.6404 GPRESSURE: 2526000 -494.438 209.175 182.039 111.157 -176.435 147.34 145.119 146.551 5.31693 PRESSAVG: 2526000 -32.0971 19.2653 30.4865 19.2652 66.7569 -7.16318 30.4865 -7.16322 13.752 GPRESSAVG: 2526000 -32.3804 20.1628 30.2772 17.8979 65.8108 -7.54914 32.0365 -7.53926 14.5719 TIMING: 2526000 CPU: 7984.78, 0.00317579/step Wall: 7984.78, 0.00317579/step, 2.18247 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2526000 3992.9823 20520.1942 14477.4174 249.8227 -203288.7160 2406.0365 0.0000 0.0000 52156.1915 -109486.0714 299.7423 -161642.2629 -109122.2140 299.5082 -243.2788 -221.8522 762513.4216 16.1373 16.0008 PRESSURE: 2526200 227.054 130.68 220.75 130.679 -157.171 222.971 220.749 222.972 288.37 GPRESSURE: 2526200 144.71 -11.336 332.646 200.587 -72.4043 250.121 176.994 123.611 373.717 PRESSAVG: 2526200 9.6224 -0.280822 34.9438 -0.280776 -27.3353 -5.25165 34.9439 -5.25162 0.666032 GPRESSAVG: 2526200 9.96415 -0.280199 36.733 -1.22001 -27.8404 -4.78293 35.7176 -4.28538 0.771643 TIMING: 2526200 CPU: 7985.42, 0.00318396/step Wall: 7985.42, 0.00318397/step, 2.18791 hours remaining, 238.410156 MB of memory in use. ENERGY: 2526200 3987.6489 20552.2717 14526.8594 246.5261 -203516.1792 2771.8328 0.0000 0.0000 52134.7737 -109296.2666 299.6193 -161431.0403 -108931.1101 300.0378 119.4176 148.6742 761650.3453 -5.6823 -5.7015 PRESSURE: 2526400 -221.559 37.6924 -28.2206 37.6926 -456.258 50.5262 -28.2198 50.526 -50.6253 GPRESSURE: 2526400 -163.457 -32.306 -40.6764 138.003 -476.772 2.66205 -170.95 -43.5977 -9.08317 PRESSAVG: 2526400 7.91889 40.3003 21.5285 40.3003 -26.3798 -60.1751 21.5286 -60.1751 0.984876 GPRESSAVG: 2526400 7.229 38.4429 20.6857 41.2184 -24.7783 -60.1404 19.8143 -63.3621 0.560106 TIMING: 2526400 CPU: 7986.06, 0.00317201/step Wall: 7986.06, 0.00317201/step, 2.17953 hours remaining, 238.410156 MB of memory in use. ENERGY: 2526400 4007.1756 20475.7725 14469.4791 244.6174 -203402.8859 2455.3374 0.0000 0.0000 52206.0365 -109544.4675 300.0288 -161750.5040 -109184.1247 299.6582 -242.8141 -216.4373 761626.2303 -5.8253 -5.6631 PRESSURE: 2526600 124.368 -24.0541 63.6961 -24.054 -321.685 -154.081 63.6961 -154.081 -18.5074 GPRESSURE: 2526600 59.5193 3.98439 129.447 -44.485 -274.701 -208.459 57.0035 -92.0982 91.064 PRESSAVG: 2526600 -7.42675 -16.4656 -18.5526 -16.4656 -14.1539 -24.2417 -18.5527 -24.2417 -12.5591 GPRESSAVG: 2526600 -8.38958 -15.4844 -19.1261 -18.2469 -14.1821 -24.1176 -18.6372 -24.3792 -12.2987 TIMING: 2526600 CPU: 7986.7, 0.00320475/step Wall: 7986.7, 0.00320475/step, 2.20184 hours remaining, 238.410156 MB of memory in use. ENERGY: 2526600 3943.9184 20480.7792 14503.0887 242.6107 -203191.9560 2551.5147 0.0000 0.0000 52055.8540 -109414.1904 299.1657 -161470.0444 -109041.6660 299.3432 -71.9413 -41.3726 762409.8912 -11.3799 -11.6234 PRESSURE: 2526800 -46.8543 -73.9148 -87.3575 -73.915 130.399 -141.185 -87.3571 -141.184 -273.534 GPRESSURE: 2526800 -37.3367 -146.505 -119.371 25.1635 85.8242 -115.112 -154.43 -102.757 -170.292 PRESSAVG: 2526800 22.5679 7.73588 -19.8642 7.73596 -25.1057 -56.3894 -19.8642 -56.3894 5.02524 GPRESSAVG: 2526800 23.789 7.31998 -20.9984 9.98752 -26.4644 -56.3579 -16.9571 -57.1834 5.10899 TIMING: 2526800 CPU: 7987.33, 0.00317871/step Wall: 7987.33, 0.00317871/step, 2.18378 hours remaining, 238.410156 MB of memory in use. ENERGY: 2526800 3999.3596 20448.8241 14494.6238 237.1853 -203304.9837 2420.1981 0.0000 0.0000 52123.6918 -109581.1011 299.5556 -161704.7928 -109226.0346 299.5498 -63.3296 -40.6014 761740.1012 0.8292 0.8112 PRESSURE: 2527000 -70.8812 -208.877 -4.68219 -208.877 336.046 -42.4458 -4.68111 -42.4458 61.8084 GPRESSURE: 2527000 -8.90426 -140.837 -56.1197 -131.838 263.274 5.80528 -71.8872 -82.8498 153.969 PRESSAVG: 2527000 11.7461 -18.0546 -1.06044 -18.0545 20.6564 -60.3767 -1.06041 -60.3767 0.205839 GPRESSAVG: 2527000 12.5542 -17.4798 0.156764 -18.3154 20.9703 -59.946 -4.24307 -59.7933 -0.390439 TIMING: 2527000 CPU: 7987.97, 0.00320242/step Wall: 7987.97, 0.00320242/step, 2.19989 hours remaining, 238.410156 MB of memory in use. ENERGY: 2527000 3922.0247 20481.2372 14512.5911 247.5061 -203333.0320 2508.5695 0.0000 0.0000 51704.9220 -109956.1814 297.1489 -161661.1034 -109593.1096 298.5318 108.9910 136.1131 760507.9834 10.8694 11.0447 PRESSURE: 2527200 -143.819 -134.961 147.395 -134.96 96.2831 -55.4982 147.394 -55.4988 114.081 GPRESSURE: 2527200 -20.3698 -95.7877 176.973 -130.902 25.9594 -58.7423 103.632 44.4733 153.951 PRESSAVG: 2527200 -18.8083 15.5141 35.75 15.5141 10.7941 -31.5924 35.75 -31.5924 -0.294836 GPRESSAVG: 2527200 -18.4926 15.2466 35.6658 14.8616 11.2948 -31.6743 37.8466 -30.909 -0.905933 TIMING: 2527200 CPU: 7988.61, 0.00318595/step Wall: 7988.61, 0.00318595/step, 2.1884 hours remaining, 238.410156 MB of memory in use. ENERGY: 2527200 3985.2235 20522.8570 14477.3438 254.1464 -203734.6146 2726.3348 0.0000 0.0000 51740.9179 -110027.7913 297.3558 -161768.7092 -109671.4580 298.2236 22.1816 53.1802 760975.8538 -2.7697 -2.7012 PRESSURE: 2527400 -168.775 13.5328 3.48668 13.5329 77.7348 -0.357546 3.48693 -0.357896 -690.546 GPRESSURE: 2527400 -185.766 106.219 -44.681 -19.0296 136.515 -55.793 -116.89 31.2591 -639.96 PRESSAVG: 2527400 -59.2044 -53.9306 8.32713 -53.9306 24.8554 -23.4645 8.32709 -23.4646 6.0858 GPRESSAVG: 2527400 -60.0813 -53.5581 9.02282 -55.2737 26.3007 -25.2212 6.23659 -23.0902 6.69357 TIMING: 2527400 CPU: 7989.25, 0.00320922/step Wall: 7989.25, 0.00320922/step, 2.2042 hours remaining, 238.410156 MB of memory in use. ENERGY: 2527400 4137.8356 20217.7876 14436.5796 241.0174 -204049.9688 2869.5737 0.0000 0.0000 52045.2767 -110101.8981 299.1049 -162147.1748 -109734.1180 298.2897 -260.5289 -229.7367 759272.8618 -9.4211 -9.0290 PRESSURE: 2527600 -249.304 -110.993 90.8367 -110.992 264.934 121.353 90.8364 121.353 -190.805 GPRESSURE: 2527600 -190.598 -34.9001 36.2296 -37.968 236.885 102.677 38.5548 51.158 -149.251 PRESSAVG: 2527600 62.9242 -18.6128 14.8086 -18.6128 -23.1593 -18.9014 14.8086 -18.9013 -9.10543 GPRESSAVG: 2527600 62.3979 -18.7257 15.1985 -17.4107 -22.949 -17.8759 15.3166 -20.5282 -9.0869 TIMING: 2527600 CPU: 7989.89, 0.00319306/step Wall: 7989.89, 0.00319306/step, 2.19292 hours remaining, 238.410156 MB of memory in use. ENERGY: 2527600 3942.1183 20412.7389 14480.3305 263.1016 -204122.1148 2787.9621 0.0000 0.0000 52110.7355 -110125.1279 299.4811 -162235.8634 -109755.4845 297.9991 -58.3916 -34.3211 759385.0546 10.2198 10.1206 PRESSURE: 2527800 -61.0756 84.5202 1.73875 84.5198 -229.587 -189.662 1.73822 -189.662 -10.8389 GPRESSURE: 2527800 -45.3622 99.1474 -11.3379 90.4308 -254.386 -174.53 78.929 -103.511 71.6534 PRESSAVG: 2527800 10.03 -6.04337 26.9112 -6.04334 2.2543 -27.6746 26.9112 -27.6746 20.5158 GPRESSAVG: 2527800 11.6745 -4.93707 25.7907 -6.35685 0.995491 -28.7436 29.0908 -27.3064 20.0431 TIMING: 2527800 CPU: 7990.53, 0.00318088/step Wall: 7990.53, 0.00318088/step, 2.18438 hours remaining, 238.410156 MB of memory in use. ENERGY: 2527800 4003.2484 20560.9751 14440.9123 272.6340 -203343.4083 2222.5984 0.0000 0.0000 51897.1539 -109945.8862 298.2537 -161843.0401 -109585.8641 298.3582 -100.5004 -76.0315 760641.4475 10.9334 10.9044 PRESSURE: 2528000 -75.0096 -35.0774 35.2895 -35.0769 -104.446 -15.7983 35.289 -15.7969 -98.8345 GPRESSURE: 2528000 -34.3725 -20.6227 70.4474 25.4683 -32.8993 99.9154 48.8025 -46.9383 -127.396 PRESSAVG: 2528000 24.5754 1.12717 86.46 1.12711 -6.24259 -0.326987 86.4601 -0.326871 -21.7695 GPRESSAVG: 2528000 23.4612 0.457077 85.5183 1.44608 -6.32268 0.8369 86.4812 -0.420871 -20.7988 TIMING: 2528000 CPU: 7991.17, 0.00319319/step Wall: 7991.17, 0.00319319/step, 2.19266 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2528000 3934.5659 20535.4188 14458.0071 248.6757 -203364.3907 2187.7792 0.0000 0.0000 52057.2504 -109942.6935 299.1737 -161999.9439 -109578.9449 298.4016 -92.7634 -64.8893 760573.6049 -1.1456 -1.2201 PRESSURE: 2528200 -320.015 -122.788 -99.0044 -122.789 -230.852 -95.2431 -99.0042 -95.242 -88.8614 GPRESSURE: 2528200 -313.823 -115.727 -22.3638 -65.3928 -194.565 -135.644 -181.757 -36.7442 -45.1804 PRESSAVG: 2528200 42.9932 -87.426 1.7416 -87.426 -25.0993 -22.4319 1.74159 -22.432 -11.923 GPRESSAVG: 2528200 42.4619 -85.017 2.14092 -88.314 -23.9322 -23.9477 0.700026 -20.7043 -12.8143 TIMING: 2528200 CPU: 7991.8, 0.00319255/step Wall: 7991.8, 0.00319255/step, 2.19204 hours remaining, 238.410156 MB of memory in use. ENERGY: 2528200 3960.7798 20582.0739 14437.3127 250.0208 -203555.8485 2487.5008 0.0000 0.0000 51831.7755 -110006.3852 297.8779 -161838.1607 -109648.8826 298.3550 -213.2430 -184.5228 760717.1533 1.9903 1.9051 LDB: ============= START OF LOAD BALANCING ============== 8004.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8004.21 LDB: =============== DONE WITH MIGRATION ================ 8004.21 LDB: ============= START OF LOAD BALANCING ============== 8004.53 LDB: Largest compute 7058 load 0.035747 is 18.2% of average load 0.196007 LDB: Average compute 0.004381 is 2.2% of average load 0.196007 LDB: TIME 8004.53 LOAD: AVG 0.196007 MAX 0.216652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 8004.53 LOAD: AVG 0.196007 MAX 0.216652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.703 MB LDB: TIME 8004.53 LOAD: AVG 0.196007 MAX 0.216652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8004.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8004.54 PRESSURE: 2528400 194.022 118.821 -38.9208 118.821 185.683 139.552 -38.9215 139.551 -198.873 GPRESSURE: 2528400 192.698 -35.6736 -80.6088 97.6909 177.516 167.724 -23.5423 44.7429 -123.783 PRESSAVG: 2528400 9.14056 -30.216 65.8797 -30.216 -8.80306 -12.908 65.8796 -12.9079 12.9673 GPRESSAVG: 2528400 10.5711 -32.5756 65.8427 -30.0093 -10.4087 -11.1543 64.2762 -16.3157 13.8642 TIMING: 2528400 CPU: 7992.46, 0.00327134/step Wall: 7992.46, 0.00327135/step, 2.24596 hours remaining, 238.410156 MB of memory in use. ENERGY: 2528400 4005.2800 20576.2791 14471.0798 248.9632 -204020.3079 2816.1485 0.0000 0.0000 52144.8693 -109757.6880 299.6773 -161902.5573 -109399.9108 298.9460 60.2774 82.1437 761547.6855 4.4349 4.6755 PRESSURE: 2528600 271.917 25.0249 -156.215 25.0254 60.2734 13.7635 -156.215 13.7642 255.486 GPRESSURE: 2528600 304.182 24.9721 -134.676 2.5193 154.509 101.301 -77.9018 58.7417 196.387 PRESSAVG: 2528600 37.3134 -9.53174 -22.7765 -9.53172 -52.3836 -11.7368 -22.7765 -11.7368 -2.51542 GPRESSAVG: 2528600 36.0829 -9.01287 -21.6112 -6.8449 -50.9828 -11.5421 -19.8037 -9.91949 -2.91149 TIMING: 2528600 CPU: 7993.1, 0.00319782/step Wall: 7993.1, 0.00319782/step, 2.1953 hours remaining, 238.410156 MB of memory in use. ENERGY: 2528600 3966.5290 20473.0050 14463.7801 258.5447 -203858.6446 2755.5281 0.0000 0.0000 52106.2691 -109834.9887 299.4554 -161941.2577 -109480.8492 299.1444 195.8920 218.3592 760204.5513 -5.8619 -5.9372 PRESSURE: 2528800 70.4771 -109.24 -36.2984 -109.241 20.7399 -15.6426 -36.2992 -15.642 255.568 GPRESSURE: 2528800 99.2103 -188.878 50.6438 -138.295 88.8548 -78.6134 -66.4179 -19.296 236.812 PRESSAVG: 2528800 -30.1798 32.5916 33.9732 32.5915 26.7521 -49.4418 33.9732 -49.4417 14.2613 GPRESSAVG: 2528800 -30.7753 31.6117 34.2626 30.965 26.7896 -50.3574 31.9702 -49.3189 14.5242 TIMING: 2528800 CPU: 7993.73, 0.0031576/step Wall: 7993.73, 0.0031576/step, 2.16752 hours remaining, 238.410156 MB of memory in use. ENERGY: 2528800 3909.4610 20471.8413 14547.1283 221.0828 -203233.3124 2503.7655 0.0000 0.0000 51807.2421 -109772.7915 297.7369 -161580.0335 -109406.4198 298.4475 115.5949 141.6258 760839.7423 3.6112 3.5128 PRESSURE: 2529000 222.465 145.854 155.045 145.855 74.4224 -295.791 155.045 -295.792 51.9504 GPRESSURE: 2529000 184.879 201.398 156.039 72.2407 172.578 -249.033 256.177 -206.267 61.9092 PRESSAVG: 2529000 -13.233 30.5988 -5.31351 30.5988 -11.6402 -40.6092 -5.3135 -40.6092 6.03041 GPRESSAVG: 2529000 -14.241 30.204 -6.60784 29.3608 -11.8785 -38.2283 -3.31444 -42.7333 6.77635 TIMING: 2529000 CPU: 7994.36, 0.00316597/step Wall: 7994.36, 0.00316597/step, 2.17309 hours remaining, 238.410156 MB of memory in use. ENERGY: 2529000 3993.4242 20495.1353 14467.2724 243.7778 -203479.7566 2538.1177 0.0000 0.0000 51940.3318 -109801.6974 298.5018 -161742.0292 -109451.8355 298.6197 116.2792 139.7887 759482.0471 -6.2809 -6.4477 PRESSURE: 2529200 400.684 37.5581 19.1886 37.559 207.076 -52.173 19.1887 -52.1729 312.939 GPRESSURE: 2529200 410.12 54.6004 3.89984 44.5029 174.488 -40.4512 61.4321 -49.7888 407.571 PRESSAVG: 2529200 22.727 -18.1839 59.0461 -18.1839 -22.7829 -11.0047 59.0461 -11.0047 12.0167 GPRESSAVG: 2529200 23.4871 -16.3826 58.8412 -17.1923 -22.2885 -12.9805 55.5625 -7.51754 10.2923 TIMING: 2529200 CPU: 7995, 0.00319206/step Wall: 7995, 0.00319206/step, 2.19082 hours remaining, 238.410156 MB of memory in use. ENERGY: 2529200 3961.5114 20411.0683 14496.1695 230.3712 -204000.7985 2954.4114 0.0000 0.0000 52141.7818 -109805.4849 299.6595 -161947.2667 -109438.7836 299.2638 306.8999 330.7266 760210.8914 3.9870 3.8303 PRESSURE: 2529400 -252.786 66.4823 -174.222 66.4823 498.805 153.002 -174.222 153.003 -5.92743 GPRESSURE: 2529400 -123.648 107.355 -111.147 9.71901 482.404 208.699 -167.22 68.6326 -37.2945 PRESSAVG: 2529400 25.4711 40.4079 13.8962 40.4079 -4.27602 -10.4539 13.8962 -10.4539 -5.1088 GPRESSAVG: 2529400 27.8175 39.6474 13.5585 40.2937 -6.55759 -10.3541 17.5985 -14.2519 -5.66742 TIMING: 2529400 CPU: 7995.64, 0.00318181/step Wall: 7995.64, 0.00318181/step, 2.1836 hours remaining, 238.410156 MB of memory in use. ENERGY: 2529400 3942.7457 20479.6721 14456.3071 239.6445 -203859.4524 2728.6200 0.0000 0.0000 52056.4429 -109956.0202 299.1691 -162012.4631 -109594.0548 298.9096 80.0306 107.1537 760396.3395 5.3621 5.1975 PRESSURE: 2529600 -152.916 -224.93 -146.996 -224.93 9.90543 -135.908 -146.995 -135.909 -165.84 GPRESSURE: 2529600 -35.7761 -182.291 -119.593 -236.53 -9.86713 -109.239 -120.388 -102.982 -204.581 PRESSAVG: 2529600 43.6669 -8.29803 2.50869 -8.298 -19.7281 -3.41853 2.50876 -3.41858 4.06376 GPRESSAVG: 2529600 41.6993 -7.8817 4.7969 -8.95048 -18.6783 -2.75327 -0.783178 -1.46199 4.90405 TIMING: 2529600 CPU: 7996.28, 0.00319095/step Wall: 7996.28, 0.00319095/step, 2.1897 hours remaining, 238.410156 MB of memory in use. ENERGY: 2529600 3994.2201 20478.8310 14532.3394 246.3689 -203332.7793 2275.7807 0.0000 0.0000 51871.6611 -109933.5781 298.1071 -161805.2392 -109573.4145 298.0916 -102.9501 -83.4082 759127.0411 9.3342 9.3084 PRESSURE: 2529800 -52.1949 -16.4778 38.7221 -16.4782 -303.684 122.592 38.7236 122.591 -587.142 GPRESSURE: 2529800 102.298 41.0756 36.1013 62.0872 -357.151 160.991 96.766 113.727 -620.613 PRESSAVG: 2529800 -13.3105 37.7585 36.682 37.7585 -11.1863 1.34563 36.682 1.34553 -0.290943 GPRESSAVG: 2529800 -13.3277 37.8098 33.403 40.2518 -10.9347 1.23486 39.1838 1.41934 -0.312329 TIMING: 2529800 CPU: 7996.91, 0.00318053/step Wall: 7996.91, 0.00318053/step, 2.18238 hours remaining, 238.410156 MB of memory in use. ENERGY: 2529800 4057.2971 20427.5955 14420.0230 249.2145 -203277.2184 2356.5050 0.0000 0.0000 51915.5221 -109851.0612 298.3592 -161766.5833 -109481.5854 298.0757 -314.3403 -291.8217 760225.6784 -8.2626 -8.1916 PRESSURE: 2530000 -164.109 46.6674 -178.537 46.6679 195.076 -62.2852 -178.537 -62.2859 -79.2059 GPRESSURE: 2530000 -149.165 33.9586 -306.895 -0.62265 249.762 -37.9718 -208.919 -48.4435 -57.1358 PRESSAVG: 2530000 5.25871 28.6254 36.3445 28.6255 18.5523 -35.7151 36.3444 -35.7151 17.7883 GPRESSAVG: 2530000 5.69777 28.5889 37.9935 26.5558 18.2811 -36.6092 34.0439 -37.4886 18.2797 TIMING: 2530000 CPU: 7997.55, 0.00319591/step Wall: 7997.55, 0.00319591/step, 2.19275 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2530000 3977.4993 20488.6364 14401.0034 225.3956 -203085.8503 2360.5350 0.0000 0.0000 51877.4297 -109755.3509 298.1403 -161632.7806 -109392.9357 298.6801 -16.0796 14.4870 760592.1702 13.8664 14.0862 PRESSURE: 2530200 246.452 -38.0952 44.4586 -38.0943 -223.461 -132.357 44.4583 -132.358 235.323 GPRESSURE: 2530200 197.449 -142.338 46.2512 -0.104725 -148.076 -131.305 4.28308 -124.572 268.312 PRESSAVG: 2530200 -2.00212 -42.8239 -32.918 -42.8239 -5.83099 -47.2092 -32.9181 -47.2093 -6.92924 GPRESSAVG: 2530200 -3.44236 -43.957 -33.4868 -41.0561 -5.11809 -46.5975 -33.4799 -45.7478 -5.39844 TIMING: 2530200 CPU: 7998.18, 0.0031633/step Wall: 7998.18, 0.0031633/step, 2.1702 hours remaining, 238.410156 MB of memory in use. ENERGY: 2530200 4001.3292 20376.8734 14411.7776 262.4903 -203017.0101 2055.0536 0.0000 0.0000 52045.6743 -109863.8116 299.1072 -161909.4860 -109493.1304 298.3357 86.1049 105.8951 759812.0740 -4.9208 -4.6530 PRESSURE: 2530400 161.97 32.4886 -251.25 32.4889 -242.063 -22.3632 -251.25 -22.3615 -173.609 GPRESSURE: 2530400 194.326 79.9878 -267.704 93.0188 -205.258 -11.8835 -159.422 -24.4629 -176.428 PRESSAVG: 2530400 -62.1726 -17.6892 -76.4138 -17.6891 30.3869 8.77195 -76.4138 8.77201 -17.6441 GPRESSAVG: 2530400 -61.1412 -16.9719 -76.9856 -18.4173 30.2887 8.99525 -74.7765 9.47529 -18.7069 TIMING: 2530400 CPU: 7998.82, 0.00318859/step Wall: 7998.82, 0.00318859/step, 2.18737 hours remaining, 238.410156 MB of memory in use. ENERGY: 2530400 3945.9841 20512.6563 14480.3364 245.9396 -203798.3141 2825.9031 0.0000 0.0000 52092.3216 -109695.1731 299.3753 -161787.4948 -109327.7239 298.4190 -84.5671 -62.4531 761827.0671 -16.4766 -16.5198 PRESSURE: 2530600 -334.176 9.01377 -35.6693 9.01378 187.827 -92.6434 -35.6699 -92.6442 194.785 GPRESSURE: 2530600 -327.985 -63.044 29.9176 -74.0631 237.562 -9.98178 -65.1417 -79.6413 221.834 PRESSAVG: 2530600 -30.3759 -63.7421 -60.3958 -63.7421 8.71393 -26.8773 -60.3958 -26.8773 12.7204 GPRESSAVG: 2530600 -30.9384 -64.4326 -59.2956 -62.9445 8.60924 -28.0885 -61.5552 -26.3178 13.5152 TIMING: 2530600 CPU: 7999.46, 0.00318984/step Wall: 7999.46, 0.00318984/step, 2.18805 hours remaining, 238.410156 MB of memory in use. ENERGY: 2530600 3939.5284 20538.3843 14440.0015 268.9278 -203224.9983 2485.6202 0.0000 0.0000 51769.8214 -109782.7146 297.5219 -161552.5361 -109434.1439 298.2497 16.1455 43.8038 761093.3348 -2.9805 -2.9380 PRESSURE: 2530800 1.11321 273.639 -278.287 273.639 -57.5025 61.0903 -278.287 61.0898 -266.334 GPRESSURE: 2530800 -37.5939 336.805 -192.226 153.564 -6.79982 -92.8722 -357.524 -25.0582 -188.484 PRESSAVG: 2530800 23.465 -53.7667 -64.0329 -53.7667 -34.0405 -23.6528 -64.0329 -23.6527 2.66202 GPRESSAVG: 2530800 22.8055 -52.8273 -63.4695 -54.1079 -33.9075 -23.1311 -64.185 -25.1397 3.00816 TIMING: 2530800 CPU: 8000.1, 0.00318588/step Wall: 8000.1, 0.00318587/step, 2.18516 hours remaining, 238.410156 MB of memory in use. ENERGY: 2530800 4000.5136 20539.0878 14439.3785 238.2066 -203240.5200 2239.2147 0.0000 0.0000 51956.2553 -109827.8633 298.5933 -161784.1186 -109460.5268 298.7526 -107.5744 -77.6259 760936.6963 -2.6378 -2.6979 PRESSURE: 2531000 73.311 -161.99 -105.655 -161.99 44.9554 234.307 -105.654 234.306 -160.147 GPRESSURE: 2531000 183.917 -162.837 -66.0998 -168.369 88.4874 311.512 -88.2744 159.209 -226.235 PRESSAVG: 2531000 64.6106 -50.8882 -62.9892 -50.8883 -35.3176 27.1643 -62.9892 27.1643 -12.3857 GPRESSAVG: 2531000 65.3862 -52.9958 -63.4964 -49.4023 -35.7754 29.3001 -61.3459 26.4985 -12.8587 TIMING: 2531000 CPU: 8000.73, 0.00315474/step Wall: 8000.73, 0.00315474/step, 2.16363 hours remaining, 238.410156 MB of memory in use. ENERGY: 2531000 3959.2272 20530.0191 14475.7013 247.0711 -203425.1335 2365.1527 0.0000 0.0000 52032.1665 -109815.7955 299.0296 -161847.9619 -109455.9278 298.6967 -13.9603 15.3901 760063.1065 5.6358 5.5840 PRESSURE: 2531200 62.5359 -175.555 231.241 -175.556 -348.295 -101.334 231.241 -101.335 6.71572 GPRESSURE: 2531200 50.7816 -114.193 218.747 0.695244 -246.77 -102.617 143.521 -131.012 -2.00114 PRESSAVG: 2531200 6.19571 -57.7913 -30.8054 -57.7913 2.13246 32.0633 -30.8054 32.0632 -17.6136 GPRESSAVG: 2531200 5.82272 -56.745 -30.8494 -60.172 2.77047 30.6057 -32.4084 35.2344 -17.888 TIMING: 2531200 CPU: 8001.36, 0.00315167/step Wall: 8001.36, 0.00315167/step, 2.16135 hours remaining, 238.410156 MB of memory in use. ENERGY: 2531200 3986.3511 20564.8736 14460.3274 247.7960 -203528.9973 2480.3242 0.0000 0.0000 52070.8021 -109718.5230 299.2516 -161789.3251 -109362.3709 298.8037 -93.0144 -65.9964 761302.3520 -3.0951 -3.0983 PRESSURE: 2531400 398.909 -91.8695 154.528 -91.8699 -197.043 -109.004 154.528 -109.005 -259.052 GPRESSURE: 2531400 428.722 -155.951 113.953 -39.7193 -164.833 -168.893 165.47 -44.3628 -254.94 PRESSAVG: 2531400 108.187 -63.1665 -2.53522 -63.1666 -41.8265 -55.958 -2.53523 -55.9581 -17.5796 GPRESSAVG: 2531400 108.662 -62.1839 -3.54987 -61.858 -42.5276 -57.1105 -0.913027 -58.4716 -18.0219 TIMING: 2531400 CPU: 8001.99, 0.00317611/step Wall: 8001.99, 0.00317611/step, 2.17793 hours remaining, 238.410156 MB of memory in use. ENERGY: 2531400 3988.4189 20595.0275 14511.1512 258.0153 -203231.0016 2406.4285 0.0000 0.0000 51984.6347 -109487.3255 298.7564 -161471.9602 -109122.8496 298.9212 -19.0621 2.9829 761345.5108 16.2603 16.0376 PRESSURE: 2531600 -72.2766 -170.376 -214.863 -170.376 -173.284 -35.3212 -214.862 -35.322 -288.879 GPRESSURE: 2531600 -68.0357 -110.583 -303.32 -72.2056 -106.079 -0.0230193 -52.5085 78.7779 -278.72 PRESSAVG: 2531600 36.5532 -88.8397 -84.442 -88.8397 -52.9476 -50.3 -84.4421 -50.3001 13.7556 GPRESSAVG: 2531600 35.6443 -88.1666 -84.2171 -90.2186 -52.1479 -48.2228 -85.7609 -49.9542 13.5656 TIMING: 2531600 CPU: 8002.63, 0.00319747/step Wall: 8002.63, 0.00319747/step, 2.1924 hours remaining, 238.410156 MB of memory in use. ENERGY: 2531600 4051.7974 20675.7523 14569.2323 237.9221 -203202.2281 2237.5093 0.0000 0.0000 51896.9108 -109533.1040 298.2523 -161430.0147 -109178.6695 299.6103 -178.1468 -150.9450 760847.5420 -0.8796 -0.9794 PRESSURE: 2531800 137.448 -11.9036 -28.0157 -11.9045 -375.939 207.51 -28.0157 207.511 32.5124 GPRESSURE: 2531800 135.254 -67.8752 -39.7944 -55.9001 -325.565 174.923 80.5261 87.7659 63.9362 PRESSAVG: 2531800 36.4148 -39.2902 -74.7186 -39.2902 -18.9476 -36.2253 -74.7187 -36.2252 12.1168 GPRESSAVG: 2531800 38.0841 -39.2285 -74.6366 -38.541 -21.2769 -37.6625 -75.5887 -36.6221 12.329 TIMING: 2531800 CPU: 8003.27, 0.00318079/step Wall: 8003.27, 0.00318079/step, 2.18078 hours remaining, 238.410156 MB of memory in use. ENERGY: 2531800 4055.6937 20517.6383 14441.1380 239.4723 -203343.5160 2383.5817 0.0000 0.0000 52454.1410 -109251.8511 301.4547 -161705.9921 -108883.3579 299.9033 -68.6595 -42.1248 760411.1999 9.8613 9.7121 PRESSURE: 2532000 12.0499 26.925 304.399 26.9253 21.5716 -49.8336 304.399 -49.8347 -294.578 GPRESSURE: 2532000 67.7946 19.9428 199.693 11.5357 26.6327 -8.02775 222.934 -116.999 -252.425 PRESSAVG: 2532000 16.9104 -0.478641 -35.2404 -0.478643 1.33686 -89.417 -35.2404 -89.4169 1.92048 GPRESSAVG: 2532000 15.7513 -0.242567 -36.322 -1.98578 2.34941 -88.9387 -33.3322 -91.4915 2.26707 TIMING: 2532000 CPU: 8003.91, 0.00319893/step Wall: 8003.91, 0.00319893/step, 2.19304 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2532000 3998.7355 20544.2354 14510.0677 250.6591 -203200.2691 2686.4700 0.0000 0.0000 51867.4074 -109342.6940 298.0827 -161210.1014 -108971.3017 299.7253 -86.9855 -52.6658 761907.0823 6.7226 6.7892 PRESSURE: 2532200 -365.359 -250.915 99.05 -250.915 -369.234 -167.39 99.0495 -167.39 -154.659 GPRESSURE: 2532200 -292.478 -178.136 48.6876 -179.79 -303.846 -157.938 -10.2705 -21.7557 -207.244 PRESSAVG: 2532200 26.216 -41.6935 -43.1208 -41.6935 -1.77093 2.37747 -43.1208 2.37743 -21.8267 GPRESSAVG: 2532200 26.3948 -42.8027 -40.9314 -39.6496 -0.952404 3.25061 -44.994 5.141 -22.774 TIMING: 2532200 CPU: 8004.54, 0.00317488/step Wall: 8004.54, 0.00317488/step, 2.17638 hours remaining, 238.410156 MB of memory in use. ENERGY: 2532200 4055.1641 20583.2525 14516.0900 249.6323 -203338.9233 2432.2216 0.0000 0.0000 52035.6361 -109466.9266 299.0495 -161502.5628 -109104.4450 299.1501 -296.4174 -267.8559 760762.8966 0.8728 0.8895 LDB: ============= START OF LOAD BALANCING ============== 8016.95 LDB: ============== END OF LOAD BALANCING =============== 8016.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8016.95 LDB: ============= START OF LOAD BALANCING ============== 8017.27 LDB: Largest compute 7058 load 0.034766 is 17.7% of average load 0.195944 LDB: Average compute 0.004401 is 2.2% of average load 0.195944 LDB: TIME 8017.27 LOAD: AVG 0.195944 MAX 0.217688 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 8017.27 LOAD: AVG 0.195944 MAX 0.217688 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: TIME 8017.27 LOAD: AVG 0.195944 MAX 0.217688 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8017.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8017.28 PRESSURE: 2532400 50.4499 -11.5326 -106.956 -11.5338 -233.441 150.96 -106.956 150.961 26.1704 GPRESSURE: 2532400 149.505 -41.8161 -149.769 -12.5367 -192.101 181.25 1.85656 121.918 -7.88498 PRESSAVG: 2532400 63.4316 -12.8628 -17.5515 -12.8628 -37.9218 4.82423 -17.5515 4.82428 -8.94046 GPRESSAVG: 2532400 63.6108 -11.0814 -17.9825 -14.9139 -38.482 2.8006 -15.9276 5.72876 -8.58451 TIMING: 2532400 CPU: 8005.2, 0.00326447/step Wall: 8005.2, 0.00326447/step, 2.23761 hours remaining, 238.468750 MB of memory in use. ENERGY: 2532400 3980.2790 20421.5123 14511.8487 237.5153 -202964.4785 2253.9815 0.0000 0.0000 52021.1239 -109538.2178 298.9661 -161559.3418 -109160.8248 299.1279 -52.2737 -16.8270 761561.8999 5.5231 5.5148 PRESSURE: 2532600 -8.377 37.3457 -295.892 37.3446 -107.887 113.41 -295.892 113.411 -262.761 GPRESSURE: 2532600 5.65111 -108.167 -257.768 117.578 -97.389 221.024 -202.563 87.6847 -198.859 PRESSAVG: 2532600 36.149 -15.073 -43.4456 -15.073 -61.2087 30.4836 -43.4456 30.4835 13.2489 GPRESSAVG: 2532600 36.2312 -18.0413 -45.6791 -10.6874 -61.1775 33.1371 -42.9473 27.6647 13.0119 TIMING: 2532600 CPU: 8005.83, 0.00317934/step Wall: 8005.83, 0.00317934/step, 2.17909 hours remaining, 238.671875 MB of memory in use. ENERGY: 2532600 3975.3690 20645.8208 14485.2941 239.5236 -203264.7528 2472.7387 0.0000 0.0000 51930.7411 -109515.2655 298.4467 -161446.0066 -109153.1190 298.8480 -126.3415 -96.8655 760741.8181 -3.9369 -3.9781 PRESSURE: 2532800 148.783 29.5754 51.1405 29.5755 72.3819 28.4837 51.1403 28.4839 249.376 GPRESSURE: 2532800 231.933 -96.0936 16.902 27.8886 138.691 153.355 -18.2514 50.8423 184.208 PRESSAVG: 2532800 16.9244 -48.163 6.25318 -48.163 -17.9572 -13.4787 6.25315 -13.4787 1.74583 GPRESSAVG: 2532800 16.8743 -46.7929 9.20349 -51.69 -17.7254 -13.8366 3.93257 -11.3769 2.08289 TIMING: 2532800 CPU: 8006.47, 0.00318082/step Wall: 8006.47, 0.00318082/step, 2.17992 hours remaining, 238.671875 MB of memory in use. ENERGY: 2532800 3981.1731 20593.2642 14430.6409 240.5340 -203568.2818 2557.0976 0.0000 0.0000 52046.8499 -109718.7222 299.1140 -161765.5721 -109354.2120 298.9425 156.8470 184.9442 759611.1965 0.2377 0.4106 PRESSURE: 2533000 -154.454 -116.035 -44.3437 -116.035 -276.105 -149.312 -44.3441 -149.312 -526.627 GPRESSURE: 2533000 -167.36 -33.2555 -45.7105 -32.4873 -209.679 -207.273 27.3425 -158.587 -486.073 PRESSAVG: 2533000 12.1388 0.0786626 73.2158 0.0786779 -6.67884 26.1627 73.2158 26.1627 19.3465 GPRESSAVG: 2533000 11.2588 0.254406 72.1611 1.96239 -6.27097 24.9405 75.2592 25.5998 19.6881 TIMING: 2533000 CPU: 8007.1, 0.00315165/step Wall: 8007.1, 0.00315165/step, 2.15976 hours remaining, 238.671875 MB of memory in use. ENERGY: 2533000 3957.2023 20544.1354 14471.4007 237.6801 -203336.9428 2581.4678 0.0000 0.0000 51877.7532 -109667.3034 298.1422 -161545.0566 -109309.7134 298.7838 -319.0620 -287.7040 761792.2123 8.2688 8.2253 PRESSURE: 2533200 -163.692 224.064 185.824 224.063 -157.207 -56.5796 185.824 -56.5791 -221.448 GPRESSURE: 2533200 -125.087 67.0673 184.753 152.738 -142.456 29.7633 59.4467 -75.7909 -195.072 PRESSAVG: 2533200 -10.9503 -46.0978 15.2767 -46.0978 -10.6339 -10.8395 15.2767 -10.8395 -13.2705 GPRESSAVG: 2533200 -9.09562 -47.223 14.1051 -46.616 -11.5555 -12.4711 13.4607 -8.50162 -14.1779 TIMING: 2533200 CPU: 8007.73, 0.00317794/step Wall: 8007.73, 0.00317794/step, 2.17759 hours remaining, 238.671875 MB of memory in use. ENERGY: 2533200 3963.6276 20565.8456 14484.3803 242.4399 -203426.8680 2429.1665 0.0000 0.0000 52106.7750 -109634.6331 299.4584 -161741.4081 -109272.4467 298.9475 -180.7825 -154.2049 759137.2010 -11.6183 -11.6097 PRESSURE: 2533400 -15.1882 145.049 18.5835 145.048 -157.974 107.514 18.5836 107.514 -229.235 GPRESSURE: 2533400 -14.968 37.7594 34.6917 33.4201 -156.368 89.0685 17.6773 29.9633 -141.649 PRESSAVG: 2533400 2.93199 11.565 14.8326 11.565 -30.2531 -63.49 14.8326 -63.4901 -8.49481 GPRESSAVG: 2533400 1.49877 14.0902 15.9935 11.8798 -28.9541 -61.4779 15.2272 -65.6154 -8.01311 TIMING: 2533400 CPU: 8008.37, 0.00316993/step Wall: 8008.37, 0.00316993/step, 2.17193 hours remaining, 238.671875 MB of memory in use. ENERGY: 2533400 3966.0686 20496.8831 14476.3182 222.7711 -203371.1623 2368.0334 0.0000 0.0000 52128.9513 -109712.1365 299.5858 -161841.0879 -109353.6357 298.9013 -134.1326 -104.3283 760060.4670 -11.9386 -11.8228 PRESSURE: 2533600 -61.9177 -91.0359 181.733 -91.0355 507.201 39.6536 181.733 39.6538 155.136 GPRESSURE: 2533600 47.7202 -168.443 -8.60215 -93.5048 545.528 17.2607 264.266 41.7676 102.742 PRESSAVG: 2533600 7.3667 -17.6777 -2.82064 -17.6777 20.0366 -10.4798 -2.82065 -10.4798 -6.15787 GPRESSAVG: 2533600 7.78019 -18.4906 -2.50026 -19.5296 19.4874 -11.1404 -3.18412 -8.94987 -6.18248 TIMING: 2533600 CPU: 8009, 0.00314747/step Wall: 8009, 0.00314747/step, 2.15636 hours remaining, 238.671875 MB of memory in use. ENERGY: 2533600 3985.0291 20573.7878 14501.6589 262.1137 -203433.0452 2434.6181 0.0000 0.0000 52107.9337 -109567.9039 299.4650 -161675.8376 -109209.8697 299.1276 200.1399 231.9968 759769.9170 7.0818 7.0284 PRESSURE: 2533800 -199.521 -151.715 -55.6719 -151.716 -246.393 61.7439 -55.6715 61.7439 140.875 GPRESSURE: 2533800 -165.9 -148.681 3.90397 -122.724 -218.86 167.595 -2.65846 138.986 165.079 PRESSAVG: 2533800 -21.7305 -41.3066 -6.13802 -41.3066 3.15385 17.5991 -6.13801 17.5991 8.56726 GPRESSAVG: 2533800 -21.6049 -41.7005 -7.15739 -39.4943 3.54334 18.1858 -5.59297 16.1026 8.15625 TIMING: 2533800 CPU: 8009.63, 0.00315573/step Wall: 8009.63, 0.00315573/step, 2.16185 hours remaining, 238.671875 MB of memory in use. ENERGY: 2533800 3966.5801 20484.8028 14443.0627 258.1284 -203392.7900 2586.7585 0.0000 0.0000 52213.4608 -109439.9967 300.0715 -161653.4575 -109085.3716 299.6230 -101.6795 -73.2273 761024.0564 -3.3365 -3.3018 PRESSURE: 2534000 18.7145 -61.6906 221.065 -61.6899 -399.513 38.8369 221.065 38.8363 145.121 GPRESSURE: 2534000 27.7006 -46.3248 183.716 -49.228 -286.497 -68.9724 244.099 55.2934 119.71 PRESSAVG: 2534000 26.22 6.56605 6.80426 6.56605 -34.858 28.1339 6.80426 28.1339 -4.96863 GPRESSAVG: 2534000 25.9266 7.22367 7.78136 8.23573 -35.9324 25.3658 7.17562 28.8178 -3.92067 TIMING: 2534000 CPU: 8010.26, 0.00317395/step Wall: 8010.26, 0.00317395/step, 2.17416 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2534000 3998.7917 20394.0944 14547.5044 245.5495 -202982.3286 2305.0934 0.0000 0.0000 51986.7724 -109504.5228 298.7687 -161491.2952 -109134.1049 299.4511 -78.5591 -46.3620 760985.6795 -4.5355 -4.6422 PRESSURE: 2534200 -7.61275 -26.7787 38.1102 -26.7788 -76.8016 -280.427 38.1102 -280.426 198.319 GPRESSURE: 2534200 47.2109 -101.64 9.21305 -55.9667 -73.8339 -371.07 -36.013 -241.256 224.053 PRESSAVG: 2534200 54.0743 -19.4249 27.3819 -19.4249 -54.3635 6.40542 27.3819 6.40541 13.6677 GPRESSAVG: 2534200 54.2854 -20.6946 26.9449 -22.2333 -54.3246 7.19123 26.4502 4.80423 13.5103 TIMING: 2534200 CPU: 8010.9, 0.00317643/step Wall: 8010.9, 0.00317642/step, 2.17567 hours remaining, 238.671875 MB of memory in use. ENERGY: 2534200 3985.8258 20458.8894 14405.0147 228.9384 -203231.8898 2222.8660 0.0000 0.0000 52202.0273 -109728.3281 300.0058 -161930.3554 -109355.7199 299.5806 37.9681 65.8099 760314.8691 4.4595 4.4904 PRESSURE: 2534400 153.442 97.1526 -199.034 97.1524 -334.504 70.164 -199.035 70.1636 -138.991 GPRESSURE: 2534400 123.958 101.17 -112.633 91.2258 -209.239 105.018 -142.351 137.347 -170.438 PRESSAVG: 2534400 31.2093 -48.9984 -2.26643 -48.9985 -17.1278 17.9402 -2.26639 17.9401 11.594 GPRESSAVG: 2534400 29.6569 -47.9808 -2.02104 -49.0204 -16.372 19.0342 -5.29621 18.9445 12.7542 TIMING: 2534400 CPU: 8011.53, 0.00317257/step Wall: 8011.53, 0.00317257/step, 2.17286 hours remaining, 238.671875 MB of memory in use. ENERGY: 2534400 3942.0804 20482.0658 14502.4506 262.9865 -203249.5688 2269.7989 0.0000 0.0000 52220.2720 -109569.9146 300.1106 -161790.1866 -109208.9545 299.1960 -106.6844 -85.2395 760692.1957 8.5585 8.6797 PRESSURE: 2534600 -121.213 2.26858 -37.6259 2.2693 212.305 277.072 -37.6256 277.071 -138.559 GPRESSURE: 2534600 -39.6848 85.7847 24.8711 26.6232 229 288.869 -120.278 203.507 -139.295 PRESSAVG: 2534600 24.4155 -14.3387 45.8477 -14.3386 -37.2736 -8.70827 45.8477 -8.70823 13.163 GPRESSAVG: 2534600 25.1342 -13.4065 45.718 -11.742 -35.9545 -9.01702 48.4628 -8.70146 11.5062 TIMING: 2534600 CPU: 8012.17, 0.00316654/step Wall: 8012.17, 0.00316654/step, 2.16855 hours remaining, 238.671875 MB of memory in use. ENERGY: 2534600 4082.6360 20627.7779 14500.2901 240.6574 -203726.7838 2961.3015 0.0000 0.0000 51874.1464 -109439.9744 298.1214 -161314.1209 -109081.5779 299.5659 -15.8221 16.6732 760205.6808 0.1016 0.2286 PRESSURE: 2534800 270.069 79.4955 47.1761 79.4953 76.619 -139.231 47.1759 -139.231 -33.2394 GPRESSURE: 2534800 325.267 59.0907 125.02 -34.6545 151.161 -160.515 -37.5356 -240.207 -52.6687 PRESSAVG: 2534800 15.6311 -26.0964 83.6197 -26.0964 -13.5938 -15.5361 83.6197 -15.5362 12.866 GPRESSAVG: 2534800 16.1999 -27.6844 83.8891 -29.379 -14.0242 -14.7546 81.3494 -15.8623 13.1252 TIMING: 2534800 CPU: 8012.8, 0.00316151/step Wall: 8012.8, 0.00316151/step, 2.16494 hours remaining, 238.671875 MB of memory in use. ENERGY: 2534800 3915.8757 20695.4812 14531.3184 247.9714 -203047.0633 2377.9823 0.0000 0.0000 51927.3387 -109351.0956 298.4271 -161278.4343 -108993.1259 299.5430 104.4827 141.2533 758649.0404 4.9678 5.1003 PRESSURE: 2535000 -103.464 82.0513 -170.813 82.0508 -38.9264 162.777 -170.813 162.776 -169.188 GPRESSURE: 2535000 -55.2904 -8.88199 -215.495 147.883 -49.2815 135.232 -126.891 272.266 -119.757 PRESSAVG: 2535000 -23.2979 19.5286 60.8117 19.5286 -14.4518 -47.8958 60.8117 -47.8958 -5.80008 GPRESSAVG: 2535000 -21.9245 19.5936 59.792 20.1959 -15.329 -48.0873 63.7923 -47.6586 -5.85841 TIMING: 2535000 CPU: 8013.43, 0.00316419/step Wall: 8013.43, 0.00316419/step, 2.16659 hours remaining, 238.671875 MB of memory in use. ENERGY: 2535000 4068.0938 20708.9366 14442.8617 224.2114 -203269.7490 2483.0980 0.0000 0.0000 52122.3959 -109220.1517 299.5481 -161342.5476 -108869.4607 300.0095 -103.8596 -74.7762 760725.9353 -14.5166 -14.3706 PRESSURE: 2535200 43.6055 50.9853 101.464 50.9855 -70.2168 -50.1461 101.464 -50.1471 348.475 GPRESSURE: 2535200 36.3371 189.371 138.225 133.559 21.8053 -54.459 102.096 -97.511 354.923 PRESSAVG: 2535200 49.7541 -67.7783 43.5074 -67.7784 -40.9803 -24.061 43.5074 -24.0609 -12.4293 GPRESSAVG: 2535200 47.6479 -67.2995 43.3445 -65.6703 -38.765 -23.94 43.7447 -22.4007 -12.3756 TIMING: 2535200 CPU: 8014.07, 0.00317295/step Wall: 8014.07, 0.00317295/step, 2.17241 hours remaining, 238.671875 MB of memory in use. ENERGY: 2535200 3983.2045 20782.8245 14521.2709 232.9228 -203379.6846 2622.0239 0.0000 0.0000 51914.6835 -109322.7544 298.3544 -161237.4379 -108961.0108 299.9625 107.2879 137.6885 760571.5495 -1.2185 -1.1642 PRESSURE: 2535400 -191.395 -56.754 -66.3687 -56.7541 -2.151 322.151 -66.3695 322.151 193.599 GPRESSURE: 2535400 -173.266 -156.009 -48.7421 -12.1402 23.3851 301.724 -111.146 232.637 212.418 PRESSAVG: 2535400 42.1981 -49.1591 20.1862 -49.1591 -69.1782 -19.2198 20.1861 -19.2197 13.1488 GPRESSAVG: 2535400 42.4069 -48.2352 20.3573 -51.5466 -71.0799 -18.5202 17.2963 -20.7617 13.9581 TIMING: 2535400 CPU: 8014.7, 0.0031729/step Wall: 8014.7, 0.0031729/step, 2.1722 hours remaining, 238.671875 MB of memory in use. ENERGY: 2535400 3997.3722 20607.7706 14497.9088 240.4012 -203156.8187 2430.3086 0.0000 0.0000 51946.8756 -109436.1818 298.5394 -161383.0573 -109067.0220 299.8685 0.0178 20.8454 761938.2973 -4.6104 -4.9050 PRESSURE: 2535600 -132.456 110.492 291.497 110.493 -23.4783 158.088 291.497 158.088 -218.797 GPRESSURE: 2535600 -66.5637 56.9529 262.416 20.5423 65.1437 153.184 161.828 219.751 -291.991 PRESSAVG: 2535600 17.8141 -8.84358 40.3477 -8.84361 -27.9845 -3.73908 40.3477 -3.73903 -9.03387 GPRESSAVG: 2535600 18.7501 -8.18845 40.9484 -9.70239 -27.6272 -4.62601 40.9215 -1.66336 -10.3594 TIMING: 2535600 CPU: 8015.33, 0.00316021/step Wall: 8015.33, 0.00316021/step, 2.16334 hours remaining, 238.671875 MB of memory in use. ENERGY: 2535600 4009.6070 20653.8150 14475.4298 272.1664 -203497.2470 2441.8335 0.0000 0.0000 52260.6042 -109383.7911 300.3424 -161644.3953 -109025.7373 299.7137 -124.9106 -97.8036 761011.2149 -6.4014 -6.4122 PRESSURE: 2535800 -104.539 -280.869 40.9394 -280.869 -200.195 -69.1814 40.9389 -69.1814 -11.085 GPRESSURE: 2535800 -109.469 -200.587 32.7778 -252.73 -124.025 -82.8523 37.9411 -2.15105 18.045 PRESSAVG: 2535800 7.52733 -52.0117 114.392 -52.0118 -15.2027 9.72573 114.392 9.72564 1.05993 GPRESSAVG: 2535800 6.97924 -53.8713 113.705 -50.0813 -15.8084 9.63225 117.285 9.33743 2.39937 TIMING: 2535800 CPU: 8015.97, 0.00318538/step Wall: 8015.97, 0.00318538/step, 2.18039 hours remaining, 238.671875 MB of memory in use. ENERGY: 2535800 4075.6299 20579.0042 14421.7311 248.6530 -203343.8815 2440.4349 0.0000 0.0000 52132.6137 -109445.8147 299.6068 -161578.4284 -109090.1868 299.7284 -105.2732 -71.8163 758980.1148 -2.2051 -2.1432 PRESSURE: 2536000 33.4813 -55.6628 220.963 -55.6629 -507.499 9.98696 220.965 9.987 -167.999 GPRESSURE: 2536000 70.5096 7.3117 203.604 -17.4436 -423.772 -62.401 325.999 102.093 -199.22 PRESSAVG: 2536000 46.6145 -27.7976 57.1359 -27.7976 -28.3337 -21.3313 57.136 -21.3313 21.9173 GPRESSAVG: 2536000 46.6644 -26.6952 57.9312 -29.2059 -28.3773 -19.0457 54.8076 -24.5186 21.4906 TIMING: 2536000 CPU: 8016.6, 0.00315748/step Wall: 8016.6, 0.00315748/step, 2.16112 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2536000 4030.1462 20489.2125 14463.7869 243.5760 -203334.9615 2420.1801 0.0000 0.0000 52268.8012 -109419.2585 300.3895 -161688.0597 -109050.2475 299.5481 -214.0055 -184.1608 759890.3743 13.3994 13.2592 PRESSURE: 2536200 209.808 34.7271 175.18 34.7267 -41.1516 -67.5296 175.18 -67.5301 237.312 GPRESSURE: 2536200 324.408 42.9261 154.651 1.92689 -49.0003 -70.077 90.9102 46.1883 217.916 PRESSAVG: 2536200 11.9384 23.6053 79.4486 23.6053 -21.6025 14.253 79.4485 14.253 12.2669 GPRESSAVG: 2536200 12.2788 24.0699 77.2298 24.6851 -22.2181 13.0382 80.8964 18.3813 12.5712 TIMING: 2536200 CPU: 8017.23, 0.00316741/step Wall: 8017.23, 0.00316741/step, 2.16774 hours remaining, 238.671875 MB of memory in use. ENERGY: 2536200 4014.3245 20502.9014 14405.2844 243.8902 -203346.4819 2550.7242 0.0000 0.0000 52163.0606 -109466.2966 299.7818 -161629.3572 -109100.4278 299.4367 135.3230 164.4415 759986.4913 0.8676 0.8773 LDB: ============= START OF LOAD BALANCING ============== 8029.63 LDB: ============== END OF LOAD BALANCING =============== 8029.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8029.64 LDB: ============= START OF LOAD BALANCING ============== 8029.95 LDB: Largest compute 7058 load 0.038039 is 19.4% of average load 0.195942 LDB: Average compute 0.004375 is 2.2% of average load 0.195942 LDB: TIME 8029.96 LOAD: AVG 0.195942 MAX 0.216361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.953 MB LDB: TIME 8029.96 LOAD: AVG 0.195942 MAX 0.216361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.953 MB LDB: TIME 8029.96 LOAD: AVG 0.195942 MAX 0.216361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8029.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8029.96 PRESSURE: 2536400 -17.1871 29.505 -99.0052 29.5054 43.0084 -122.593 -99.0054 -122.593 -141.088 GPRESSURE: 2536400 44.9611 -68.4686 -152.953 -26.0295 68.252 -107.861 -7.76407 -116.45 -152.16 PRESSAVG: 2536400 20.443 34.4926 4.82232 34.4927 -2.37471 -10.7654 4.82235 -10.7654 -5.22192 GPRESSAVG: 2536400 20.2219 33.6261 6.16941 31.7416 -1.00538 -13.4727 3.02632 -13.8504 -6.16998 TIMING: 2536400 CPU: 8017.88, 0.00322774/step Wall: 8017.88, 0.00322774/step, 2.20885 hours remaining, 237.753906 MB of memory in use. ENERGY: 2536400 4018.9733 20463.4646 14478.4252 245.1991 -202858.3019 2075.0673 0.0000 0.0000 52183.9468 -109393.2256 299.9019 -161577.1724 -109030.5077 299.5460 -38.4223 -12.9821 760550.4704 4.2821 4.3489 PRESSURE: 2536600 -278.086 15.2336 -173.781 15.2342 -204.968 -29.862 -173.781 -29.8627 -281.441 GPRESSURE: 2536600 -305.23 -58.4448 -112.787 139.634 -128.489 -57.2249 -104.223 78.4697 -243.941 PRESSAVG: 2536600 -20.1095 -24.893 29.0328 -24.893 25.3308 -29.8257 29.0329 -29.8257 0.664443 GPRESSAVG: 2536600 -21.1695 -25.5369 27.7373 -22.3298 24.9744 -27.0976 29.2872 -27.9666 2.04735 TIMING: 2536600 CPU: 8018.51, 0.0031503/step Wall: 8018.51, 0.0031503/step, 2.15568 hours remaining, 237.957031 MB of memory in use. ENERGY: 2536600 4117.0270 20592.9688 14476.3301 237.3679 -203002.5707 2247.8181 0.0000 0.0000 51816.4711 -109514.5877 297.7900 -161331.0588 -109157.2052 299.5390 -254.8318 -225.8869 758839.4451 1.9619 1.9507 PRESSURE: 2536800 -234.699 -157.821 -287.501 -157.821 201.226 182.39 -287.501 182.39 -215.274 GPRESSURE: 2536800 -210.155 -43.6166 -304.269 -149.266 242.25 121.743 -131.789 45.6389 -209.243 PRESSAVG: 2536800 -36.1725 37.943 26.1516 37.9429 41.9062 -25.4725 26.1516 -25.4724 13.1777 GPRESSAVG: 2536800 -35.099 38.8328 27.8401 37.402 42.0287 -25.1723 27.719 -26.1351 11.7906 TIMING: 2536800 CPU: 8019.14, 0.00315786/step Wall: 8019.14, 0.00315786/step, 2.16068 hours remaining, 237.957031 MB of memory in use. ENERGY: 2536800 4041.4691 20579.6101 14465.0054 242.4417 -203205.4496 2447.9285 0.0000 0.0000 52059.1792 -109369.8156 299.1848 -161428.9948 -109014.8454 299.2138 -82.9156 -59.0492 760515.8439 6.3038 6.2401 PRESSURE: 2537000 -118.169 -279.711 -157.893 -279.711 -285.628 110.709 -157.893 110.707 -255.956 GPRESSURE: 2537000 -13.0829 -301.349 -191.795 -161.533 -327.504 134.616 -23.2584 95.1833 -221.849 PRESSAVG: 2537000 6.62788 -34.8068 33.987 -34.8068 14.2157 17.931 33.987 17.9309 0.441554 GPRESSAVG: 2537000 7.093 -34.6394 34.0014 -34.2175 13.7743 17.7211 33.6821 15.7546 0.734255 TIMING: 2537000 CPU: 8019.78, 0.00316873/step Wall: 8019.78, 0.00316873/step, 2.16794 hours remaining, 237.957031 MB of memory in use. ENERGY: 2537000 3992.3273 20597.1449 14517.6439 248.8537 -203239.7636 2196.3480 0.0000 0.0000 52140.1535 -109547.2923 299.6502 -161687.4458 -109191.4227 299.4581 -219.9175 -187.4784 759673.4420 7.0951 7.2005 PRESSURE: 2537200 26.0792 209.665 122.915 209.665 173.44 -68.5047 122.915 -68.5045 244.326 GPRESSURE: 2537200 153.657 35.9878 134.909 150.006 133.755 -132.758 130.959 -70.9955 269.257 PRESSAVG: 2537200 15.5432 -8.09396 36.3896 -8.09395 -41.954 22.9652 36.3897 22.9652 10.1038 GPRESSAVG: 2537200 16.2997 -9.37946 36.1809 -8.21324 -42.1001 22.3276 35.3824 23.4974 9.2357 TIMING: 2537200 CPU: 8020.41, 0.00315498/step Wall: 8020.41, 0.00315498/step, 2.15836 hours remaining, 237.957031 MB of memory in use. ENERGY: 2537200 3932.2340 20388.2631 14498.0567 260.4933 -203332.5919 2445.9561 0.0000 0.0000 52301.5758 -109506.0129 300.5779 -161807.5887 -109142.6279 299.2203 147.9485 185.5565 759831.5600 -5.4357 -5.5216 PRESSURE: 2537400 -141.201 83.1349 -213.89 83.1352 25.3382 157.698 -213.89 157.699 -385.13 GPRESSURE: 2537400 -27.5386 139.976 -193.685 3.79289 70.3198 55.8008 -302.265 93.5857 -427.232 PRESSAVG: 2537400 18.1344 1.50399 30.0087 1.50403 -2.62061 30.0969 30.0087 30.0968 27.7422 GPRESSAVG: 2537400 16.5505 3.4518 28.3594 -0.314288 -0.750397 30.0874 31.0343 28.989 28.249 TIMING: 2537400 CPU: 8021.04, 0.00316887/step Wall: 8021.04, 0.00316887/step, 2.16768 hours remaining, 237.957031 MB of memory in use. ENERGY: 2537400 4030.7348 20551.0873 14518.4699 229.8003 -203335.5403 2354.0925 0.0000 0.0000 52202.5028 -109448.8527 300.0085 -161651.3555 -109083.6860 299.5154 -166.9976 -128.1504 757891.7450 14.4187 14.6830 PRESSURE: 2537600 -30.5395 16.0264 -63.355 16.0264 348.601 82.409 -63.3549 82.4093 109.273 GPRESSURE: 2537600 73.0165 -23.7348 -18.1054 38.8221 260.84 101.329 -31.7778 102.968 172.985 PRESSAVG: 2537600 -17.7473 -38.1955 18.5994 -38.1955 20.5997 22.8624 18.5994 22.8624 -0.937595 GPRESSAVG: 2537600 -16.6553 -39.1562 20.6992 -37.4648 19.0738 22.9582 18.0851 24.6224 -0.388011 TIMING: 2537600 CPU: 8021.67, 0.00316509/step Wall: 8021.67, 0.00316509/step, 2.16492 hours remaining, 237.957031 MB of memory in use. ENERGY: 2537600 3970.6996 20526.0568 14434.5436 235.9935 -202929.4341 2403.8350 0.0000 0.0000 52058.1869 -109300.1188 299.1791 -161358.3057 -108924.2712 299.8886 142.4449 168.9473 761044.6783 0.6382 0.6768 PRESSURE: 2537800 -179.024 -9.99115 69.0821 -9.9908 -320.268 96.6687 69.0823 96.6691 -86.464 GPRESSURE: 2537800 -85.2399 -107.905 105.324 90.8861 -277.272 97.2177 50.5498 240.52 -137.644 PRESSAVG: 2537800 -4.18065 -15.1291 23.9161 -15.129 -21.2643 -59.504 23.9161 -59.504 9.79611 GPRESSAVG: 2537800 -4.98921 -15.4959 24.0681 -13.8998 -20.1696 -59.0503 21.5068 -59.8999 9.92425 TIMING: 2537800 CPU: 8022.31, 0.00318107/step Wall: 8022.31, 0.00318107/step, 2.17568 hours remaining, 237.957031 MB of memory in use. ENERGY: 2537800 3937.5852 20668.4280 14428.1019 235.7991 -203084.6322 2160.9078 0.0000 0.0000 52183.0731 -109470.7371 299.8968 -161653.8102 -109108.4836 299.6445 -195.2523 -166.7189 759793.4889 -5.2163 -5.0782 PRESSURE: 2538000 -187.723 139.808 -61.837 139.808 -222.259 -1.29707 -61.8379 -1.29747 -183.971 GPRESSURE: 2538000 -129.522 145.3 -60.8724 162.754 -130.585 36.3263 -88.7205 101.872 -249.875 PRESSAVG: 2538000 -13.1827 47.4981 27.1479 47.4982 4.80652 33.2351 27.1479 33.2352 16.8518 GPRESSAVG: 2538000 -12.977 49.1271 25.3987 46.7585 5.1414 32.6727 31.2966 33.0731 16.4019 TIMING: 2538000 CPU: 8022.94, 0.00316815/step Wall: 8022.94, 0.00316815/step, 2.16666 hours remaining, 237.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2538000 3994.1675 20473.3602 14449.4151 249.7382 -202794.4612 2181.7073 0.0000 0.0000 52077.6806 -109368.3924 299.2911 -161446.0730 -109004.3231 299.5384 -197.9846 -169.9942 759294.3062 2.8252 2.8554 PRESSURE: 2538200 -278.869 -48.3251 -14.5882 -48.325 -208.5 101.968 -14.5886 101.967 -99.9638 GPRESSURE: 2538200 -237.131 -3.37813 -16.5699 50.5288 -163.511 68.0922 92.3394 89.0901 -95.525 PRESSAVG: 2538200 -11.2575 11.6592 22.5895 11.6592 35.9259 7.22876 22.5895 7.22883 -11.253 GPRESSAVG: 2538200 -11.6832 11.1456 24.5713 12.4262 36.45 7.00789 18.901 7.41382 -11.9627 TIMING: 2538200 CPU: 8023.57, 0.00315496/step Wall: 8023.57, 0.00315496/step, 2.15746 hours remaining, 237.957031 MB of memory in use. ENERGY: 2538200 3927.8130 20433.5896 14507.3490 240.4149 -203460.5541 2421.8801 0.0000 0.0000 52503.1644 -109426.3432 301.7364 -161929.5076 -109062.7131 299.7161 -195.7776 -165.3890 759236.6571 4.4718 4.2680 PRESSURE: 2538400 -289.728 -98.9296 145.364 -98.9294 187.486 -145.923 145.364 -145.924 -13.5008 GPRESSURE: 2538400 -295.064 -61.2224 140.793 -209.264 222.754 -184.841 243.751 -116.313 43.8895 PRESSAVG: 2538400 53.1724 -44.3853 41.4938 -44.3853 -20.0175 -40.4709 41.4938 -40.4708 20.7876 GPRESSAVG: 2538400 51.7797 -44.9502 39.6173 -44.0816 -21.4143 -40.7317 43.5151 -39.2161 23.4666 TIMING: 2538400 CPU: 8024.2, 0.0031393/step Wall: 8024.2, 0.0031393/step, 2.14658 hours remaining, 237.957031 MB of memory in use. ENERGY: 2538400 4064.8270 20623.2747 14513.9796 243.4152 -203474.9799 2535.4584 0.0000 0.0000 51915.2762 -109578.7488 298.3578 -161494.0250 -109226.3984 299.6747 -38.5809 -9.4735 759918.6403 17.9808 17.9440 PRESSURE: 2538600 -324.784 74.9198 -118.034 74.9201 -243.539 -109.589 -118.033 -109.589 114.395 GPRESSURE: 2538600 -238.04 23.1961 -197.277 46.9243 -228.916 -144.17 -152.714 -195.962 119.326 PRESSAVG: 2538600 26.3917 29.9457 63.8099 29.9457 -15.2336 0.569715 63.81 0.569812 -17.9782 GPRESSAVG: 2538600 26.0024 31.6886 64.2231 28.8541 -14.1615 -0.148528 62.144 -1.28037 -18.5432 TIMING: 2538600 CPU: 8024.83, 0.00314608/step Wall: 8024.83, 0.00314608/step, 2.15105 hours remaining, 237.957031 MB of memory in use. ENERGY: 2538600 4065.3774 20577.8147 14499.7164 221.8244 -203372.9817 2352.2799 0.0000 0.0000 52109.5853 -109546.3836 299.4745 -161655.9689 -109180.4923 299.3607 -151.3094 -115.8769 759249.0773 -2.2734 -2.2341 PRESSURE: 2538800 -466.348 -279.563 93.4375 -279.563 43.9037 -4.28502 93.4389 -4.28492 -335.371 GPRESSURE: 2538800 -398.37 -207.665 97.8028 -235.418 59.7775 17.8739 36.3683 16.815 -356.879 PRESSAVG: 2538800 -36.6859 -2.9787 17.8312 -2.97874 8.19924 -40.7457 17.8311 -40.7458 17.7406 GPRESSAVG: 2538800 -34.9196 -4.40671 17.3932 -0.144563 7.13811 -40.3289 18.1832 -40.5068 16.9538 TIMING: 2538800 CPU: 8025.46, 0.00313851/step Wall: 8025.46, 0.00313851/step, 2.14569 hours remaining, 237.957031 MB of memory in use. ENERGY: 2538800 3935.9991 20700.6252 14441.6702 223.6069 -203145.0616 2128.6729 0.0000 0.0000 52127.3705 -109587.1168 299.5767 -161714.4873 -109226.9691 298.6416 -252.6054 -231.8239 760133.0928 -3.5820 -3.6093 PRESSURE: 2539000 44.6179 -14.7029 -255.471 -14.7031 126.998 -301.59 -255.471 -301.589 -22.4409 GPRESSURE: 2539000 86.9657 41.6367 -328.655 -42.7592 95.5669 -314.145 -178.797 -240.883 7.34212 PRESSAVG: 2539000 10.3188 -10.6322 -48.7552 -10.6322 1.94001 -30.4125 -48.7553 -30.4124 12.1985 GPRESSAVG: 2539000 8.36614 -9.69923 -47.6552 -13.524 3.44541 -30.9291 -47.0958 -28.0686 12.818 TIMING: 2539000 CPU: 8026.09, 0.00315932/step Wall: 8026.09, 0.00315932/step, 2.15975 hours remaining, 237.957031 MB of memory in use. ENERGY: 2539000 3895.1832 20661.5469 14506.7325 255.3065 -203370.2376 2492.3192 0.0000 0.0000 51948.2890 -109610.8602 298.5475 -161559.1493 -109244.3204 298.9958 49.7250 63.2916 759247.5352 8.1525 8.2098 PRESSURE: 2539200 -224.157 92.2 73.7462 92.1998 -378.243 181.199 73.7463 181.2 -279.082 GPRESSURE: 2539200 -117.318 10.8632 102.207 194.064 -335.201 125.345 222.887 155.873 -316.538 PRESSAVG: 2539200 55.5937 18.1064 -10.8434 18.1064 -55.6294 -11.619 -10.8433 -11.619 5.69525 GPRESSAVG: 2539200 56.4049 18.231 -10.8683 18.3673 -56.0355 -10.7432 -11.6961 -15.5769 5.34954 TIMING: 2539200 CPU: 8026.72, 0.0031469/step Wall: 8026.72, 0.0031469/step, 2.15108 hours remaining, 237.957031 MB of memory in use. ENERGY: 2539200 3962.8676 20420.6725 14453.0729 255.0524 -203041.8307 2188.8692 0.0000 0.0000 52139.2587 -109622.0373 299.6450 -161761.2961 -109252.7811 299.6103 -293.8274 -256.3522 761391.1296 1.8865 1.9063 PRESSURE: 2539400 409.407 36.383 50.6001 36.3835 -8.88887 80.6316 50.6007 80.6309 27.3621 GPRESSURE: 2539400 379.896 11.5129 20.1625 53.5027 22.3052 82.0865 -2.14756 127.353 99.6445 PRESSAVG: 2539400 -25.3576 16.6342 -12.8567 16.6342 0.0700604 30.4167 -12.8567 30.4167 -10.0962 GPRESSAVG: 2539400 -25.6199 16.0135 -14.7652 17.0787 1.56225 30.438 -14.7797 33.523 -11.0129 TIMING: 2539400 CPU: 8027.35, 0.00313521/step Wall: 8027.35, 0.00313521/step, 2.14291 hours remaining, 237.957031 MB of memory in use. ENERGY: 2539400 3943.5371 20586.9843 14541.5895 242.8130 -203505.8813 2617.8549 0.0000 0.0000 52099.6749 -109473.4275 299.4175 -161573.1025 -109119.7017 299.2847 142.6267 167.2819 759840.2393 -11.7946 -11.6902 PRESSURE: 2539600 -296.487 -333.365 16.369 -333.365 -332.624 -49.088 16.3689 -49.0895 -209.469 GPRESSURE: 2539600 -178.202 -245.311 21.8108 -220.977 -442.152 -110.935 26.8142 -32.9324 -115.026 PRESSAVG: 2539600 -2.77576 0.901765 -1.01637 0.901741 2.46237 -47.9075 -1.01645 -47.9074 28.1212 GPRESSAVG: 2539600 -1.99745 2.29838 -0.938835 2.62539 1.2934 -47.4133 1.08529 -48.2001 28.5844 TIMING: 2539600 CPU: 8027.97, 0.00313144/step Wall: 8027.97, 0.00313144/step, 2.14016 hours remaining, 237.957031 MB of memory in use. ENERGY: 2539600 3985.0783 20539.1687 14537.4429 253.9579 -203269.5182 2609.4724 0.0000 0.0000 51920.1473 -109424.2507 298.3858 -161344.3980 -109053.1383 299.3809 -279.5269 -245.1267 760711.1965 9.2693 9.2935 PRESSURE: 2539800 32.9757 -36.1249 -322.359 -36.1251 -29.7736 110.708 -322.359 110.709 -200.363 GPRESSURE: 2539800 40.7668 77.2859 -261.425 -84.8438 38.215 112.824 -361.794 193.524 -199.931 PRESSAVG: 2539800 1.06466 -90.8742 -14.8025 -90.8742 32.8331 -3.62213 -14.8026 -3.62211 3.80412 GPRESSAVG: 2539800 1.86211 -91.6326 -14.1134 -93.6613 31.8686 -4.29306 -13.0918 -5.2401 4.33623 TIMING: 2539800 CPU: 8028.6, 0.00311918/step Wall: 8028.6, 0.00311918/step, 2.13162 hours remaining, 237.957031 MB of memory in use. ENERGY: 2539800 4063.9505 20587.7291 14430.1598 247.1828 -203494.2240 2633.5936 0.0000 0.0000 52172.4543 -109359.1538 299.8358 -161531.6081 -108988.1055 299.2169 -65.7204 -40.3163 760570.7031 12.5673 12.6890 PRESSURE: 2540000 -123.569 -55.2444 -301.745 -55.2443 91.5973 6.21775 -301.746 6.21909 -278.246 GPRESSURE: 2540000 -35.105 -231.181 -250.121 -106.012 117.953 -7.989 -155.417 193.735 -318.871 PRESSAVG: 2540000 22.2437 -41.7755 -24.8839 -41.7755 -21.2685 12.0736 -24.8839 12.0735 -8.72852 GPRESSAVG: 2540000 22.6305 -43.332 -25.3814 -41.081 -20.3829 12.4708 -26.9673 13.3818 -9.80618 TIMING: 2540000 CPU: 8029.22, 0.00313424/step Wall: 8029.22, 0.00313424/step, 2.14173 hours remaining, 237.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2540000 3972.9294 20675.7669 14514.7780 251.5373 -203182.4412 2422.4905 0.0000 0.0000 52145.2308 -109199.7084 299.6794 -161344.9392 -108824.8274 299.5664 -103.4060 -78.6742 760634.6797 -2.5845 -2.5195 PRESSURE: 2540200 87.1308 10.1983 94.2529 10.1989 72.5813 40.9698 94.2531 40.9693 -487.443 GPRESSURE: 2540200 77.9638 -28.5253 52.8039 28.0611 120.555 73.3361 135.458 -28.9673 -442.123 PRESSAVG: 2540200 -48.4299 -29.6781 14.8458 -29.6782 -10.399 17.6964 14.8458 17.6964 5.75437 GPRESSAVG: 2540200 -49.3716 -28.4526 14.5104 -28.268 -10.1424 17.9007 16.4038 15.7432 7.26218 TIMING: 2540200 CPU: 8029.85, 0.00312977/step Wall: 8029.85, 0.00312977/step, 2.1385 hours remaining, 237.957031 MB of memory in use. ENERGY: 2540200 3946.0903 20610.4544 14480.8187 275.1328 -203145.9154 2327.1877 0.0000 0.0000 52183.3491 -109322.8823 299.8984 -161506.2315 -108951.3573 299.7892 -109.2438 -81.2015 759766.6083 -17.6915 -17.4173 LDB: ============= START OF LOAD BALANCING ============== 8042.25 LDB: ============== END OF LOAD BALANCING =============== 8042.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8042.25 LDB: ============= START OF LOAD BALANCING ============== 8042.56 LDB: Largest compute 7058 load 0.036903 is 18.8% of average load 0.195972 LDB: Average compute 0.004395 is 2.2% of average load 0.195972 LDB: TIME 8042.57 LOAD: AVG 0.195972 MAX 0.215351 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.496 MB LDB: TIME 8042.57 LOAD: AVG 0.195972 MAX 0.215351 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 8042.57 LOAD: AVG 0.195972 MAX 0.215351 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 8042.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8042.57 PRESSURE: 2540400 39.9705 -267.307 138.639 -267.307 -242.101 22.9734 138.639 22.9728 124.96 GPRESSURE: 2540400 41.487 -247.982 236.36 -108.627 -234.605 87.7608 24.5653 -29.8129 193.949 PRESSAVG: 2540400 -8.63323 -31.9906 35.9932 -31.9907 -19.0494 -1.64115 35.9931 -1.64117 30.1404 GPRESSAVG: 2540400 -7.84863 -32.0868 36.8146 -31.9213 -19.4301 -2.53341 35.6571 1.37287 29.8308 TIMING: 2540400 CPU: 8030.49, 0.00320947/step Wall: 8030.49, 0.00320947/step, 2.19278 hours remaining, 238.414062 MB of memory in use. ENERGY: 2540400 3961.6246 20644.2463 14441.4044 258.3634 -203138.6315 2398.1620 0.0000 0.0000 52115.3334 -109319.4974 299.5075 -161434.8308 -108958.3033 299.6440 -25.7233 0.2770 760800.9653 0.8192 0.8507 PRESSURE: 2540600 -39.5051 199.809 -87.504 199.809 -99.7399 -48.8183 -87.5032 -48.8192 -119.331 GPRESSURE: 2540600 2.60013 184.63 -78.5707 165.904 -129.632 -48.2122 -103.635 -32.7496 -34.1677 PRESSAVG: 2540600 49.0122 1.40274 10.1696 1.40275 -31.5803 6.26875 10.1696 6.26869 -13.0401 GPRESSAVG: 2540600 50.3474 1.7572 11.5482 1.62077 -32.4653 6.51196 10.4891 3.38253 -13.9209 TIMING: 2540600 CPU: 8031.12, 0.00314676/step Wall: 8031.12, 0.00314676/step, 2.14976 hours remaining, 238.617188 MB of memory in use. ENERGY: 2540600 3994.9008 20457.7227 14476.0143 250.2326 -203244.0821 2459.4485 0.0000 0.0000 52160.5513 -109445.2120 299.7674 -161605.7633 -109085.3892 299.4769 -86.1921 -53.7332 760424.8510 1.4639 1.3204 PRESSURE: 2540800 -80.9298 77.374 157.441 77.3751 -166.634 214.417 157.441 214.417 -10.8566 GPRESSURE: 2540800 23.5545 22.8391 135.478 13.4535 -261.399 119.304 147.928 207.664 89.2329 PRESSAVG: 2540800 63.6223 4.43951 -41.739 4.43953 -22.071 -46.8173 -41.7391 -46.8173 -20.5646 GPRESSAVG: 2540800 61.9012 4.24854 -43.6779 2.48588 -20.9863 -46.6611 -41.9752 -45.4131 -19.7378 TIMING: 2540800 CPU: 8031.75, 0.00316149/step Wall: 8031.75, 0.00316149/step, 2.15965 hours remaining, 238.617188 MB of memory in use. ENERGY: 2540800 4081.6520 20661.4521 14565.6571 236.6442 -203447.6299 2440.2797 0.0000 0.0000 51983.6713 -109478.2736 298.7509 -161461.9449 -109116.3959 299.2633 -86.1401 -49.5373 760839.2195 6.9956 7.0591 PRESSURE: 2541000 -65.9327 57.6836 22.8275 57.6845 -81.8467 11.5211 22.827 11.5201 207.946 GPRESSURE: 2541000 15.392 129.668 45.878 24.9948 -80.6271 39.8602 -41.1431 -103.39 209.54 PRESSAVG: 2541000 -4.16338 -36.6289 8.98534 -36.6289 -45.9401 -5.03089 8.98528 -5.03091 -1.98117 GPRESSAVG: 2541000 -3.41813 -35.6224 10.2295 -35.3304 -46.032 -5.54946 8.94934 -4.5802 -2.33622 TIMING: 2541000 CPU: 8032.38, 0.00314754/step Wall: 8032.38, 0.00314754/step, 2.14994 hours remaining, 238.617188 MB of memory in use. ENERGY: 2541000 4020.5942 20649.6867 14483.2297 246.3282 -203823.0149 2788.7536 0.0000 0.0000 52017.0592 -109617.3633 298.9428 -161634.4224 -109258.8334 299.0984 20.0554 48.1015 760495.0813 -17.3616 -17.2621 PRESSURE: 2541200 347.183 -76.8101 189.367 -76.8106 -280.915 12.5166 189.368 12.516 -288.819 GPRESSURE: 2541200 397.273 -87.6106 146.094 -1.53561 -318.832 -15.9409 171.829 79.2459 -234.832 PRESSAVG: 2541200 22.5355 -29.4535 5.75296 -29.4535 4.8394 17.0444 5.75302 17.0444 0.842744 GPRESSAVG: 2541200 22.2332 -29.5368 5.62007 -29.4696 3.27389 15.2704 6.56238 18.9535 2.13436 TIMING: 2541200 CPU: 8033.01, 0.00314284/step Wall: 8033.01, 0.00314284/step, 2.14656 hours remaining, 238.617188 MB of memory in use. ENERGY: 2541200 3961.8353 20634.7963 14510.9361 244.5044 -202952.7591 2111.5027 0.0000 0.0000 52084.9949 -109404.1893 299.3332 -161489.1842 -109048.1546 299.4617 -74.1835 -52.1303 760628.5656 9.4059 9.2138 PRESSURE: 2541400 -190.61 -127.696 153.674 -127.696 -379.613 289.505 153.674 289.505 -42.1617 GPRESSURE: 2541400 -191.001 -40.8882 139.57 -90.8725 -369.436 292.102 247.253 286.035 37.8622 PRESSAVG: 2541400 11.0823 -38.7533 13.7996 -38.7533 -31.9098 39.1503 13.7996 39.1503 -8.6091 GPRESSAVG: 2541400 11.4571 -37.9001 12.6618 -38.993 -30.5639 41.0206 14.8904 37.9466 -9.41599 TIMING: 2541400 CPU: 8033.64, 0.00313363/step Wall: 8033.64, 0.00313363/step, 2.14009 hours remaining, 238.617188 MB of memory in use. ENERGY: 2541400 3993.1824 20731.6703 14485.6685 243.9972 -203008.5704 2278.6756 0.0000 0.0000 52132.9466 -109142.4300 299.6088 -161275.3766 -108774.3862 299.8306 -204.1282 -174.1916 761701.5144 -9.8122 -9.5076 PRESSURE: 2541600 -32.8614 197.586 -16.6797 197.586 43.6624 115.912 -16.6794 115.912 -372.583 GPRESSURE: 2541600 -43.3558 21.4073 -19.4737 164.323 82.028 64.2008 -207.034 109.944 -325.447 PRESSAVG: 2541600 -5.26372 -27.1074 36.6503 -27.1073 13.0352 -29.8505 36.6504 -29.8506 -1.22694 GPRESSAVG: 2541600 -5.49105 -30.4398 36.6983 -26.5165 13.1846 -31.8185 34.1308 -27.9724 -0.879605 TIMING: 2541600 CPU: 8034.27, 0.00313873/step Wall: 8034.27, 0.00313873/step, 2.14341 hours remaining, 238.617188 MB of memory in use. ENERGY: 2541600 3961.4168 20583.0500 14491.4287 266.3219 -203345.7782 2730.1428 0.0000 0.0000 51964.8543 -109348.5638 298.6427 -161313.4180 -108986.3761 299.6864 -120.5940 -95.5915 761382.4091 2.1815 2.2713 PRESSURE: 2541800 197.011 -31.9265 102.003 -31.9264 -195.089 304.169 102.003 304.169 -170.84 GPRESSURE: 2541800 249.439 -82.8159 36.6079 120.184 -225.475 287.835 212.781 204.413 -94.5164 PRESSAVG: 2541800 2.80452 -3.30413 36.719 -3.30408 -27.5536 12.7004 36.719 12.7003 9.72524 GPRESSAVG: 2541800 2.67298 -0.185053 38.2966 -4.15975 -27.3404 13.6949 37.5042 10.4654 9.42914 TIMING: 2541800 CPU: 8034.89, 0.00312938/step Wall: 8034.89, 0.00312938/step, 2.13684 hours remaining, 238.617188 MB of memory in use. ENERGY: 2541800 4071.1975 20597.7556 14505.3101 259.8817 -203287.8178 2628.1587 0.0000 0.0000 51771.0558 -109454.4583 297.5290 -161225.5141 -109094.2266 299.2494 -56.3060 -23.5176 761872.4381 -5.0080 -5.0794 PRESSURE: 2542000 105.198 -241.506 150.095 -241.505 -197.584 -304.978 150.094 -304.979 -369.475 GPRESSURE: 2542000 204.629 -244.559 219.578 -240.478 -148.632 -184.79 295.361 -369.527 -428.406 PRESSAVG: 2542000 -11.7443 -28.3709 20.3458 -28.3709 0.252773 -7.38121 20.3458 -7.38124 -6.6837 GPRESSAVG: 2542000 -12.1648 -31.8714 20.2856 -26.2955 0.32794 -5.80692 20.2503 -7.48438 -6.41737 TIMING: 2542000 CPU: 8035.52, 0.00312587/step Wall: 8035.52, 0.00312587/step, 2.13427 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2542000 4008.9263 20632.2318 14451.1547 229.2805 -203407.4307 2530.4675 0.0000 0.0000 52217.9605 -109337.4093 300.0973 -161555.3698 -108980.1098 299.3986 -153.9533 -124.1364 760740.2038 -6.0584 -6.0847 PRESSURE: 2542200 -221.886 168.09 45.3138 168.09 -138.387 -156.804 45.3135 -156.804 -453.496 GPRESSURE: 2542200 -172.492 175.381 46.7818 116.067 -133.989 -169.062 19.5821 -148.272 -405.431 PRESSAVG: 2542200 54.9682 31.5425 30.4854 31.5425 -33.745 -45.5647 30.4854 -45.5647 13.2962 GPRESSAVG: 2542200 55.7235 30.3568 29.4381 29.7202 -35.0144 -44.9003 30.8661 -45.4326 13.6578 TIMING: 2542200 CPU: 8036.15, 0.00314808/step Wall: 8036.15, 0.00314808/step, 2.14926 hours remaining, 238.617188 MB of memory in use. ENERGY: 2542200 3961.7262 20633.4586 14489.1150 259.7866 -202761.3521 1999.6142 0.0000 0.0000 52242.0477 -109175.6038 300.2358 -161417.6514 -108815.7587 299.9991 -271.2562 -237.3042 759584.5141 11.5065 11.4556 PRESSURE: 2542400 247.695 -107.159 13.0303 -107.159 45.1605 -275.039 13.0303 -275.04 -74.4844 GPRESSURE: 2542400 299.705 -65.9615 5.29263 -28.5827 12.2343 -265.975 29.6274 -94.2974 -21.3078 PRESSAVG: 2542400 22.9518 -0.288101 23.0585 -0.288099 -56.6765 -0.506651 23.0585 -0.506751 7.62351 GPRESSAVG: 2542400 23.9343 1.0496 23.7318 -0.49604 -57.401 -0.610846 23.6393 -1.29345 7.1007 TIMING: 2542400 CPU: 8036.78, 0.00316354/step Wall: 8036.78, 0.00316354/step, 2.15964 hours remaining, 238.617188 MB of memory in use. ENERGY: 2542400 4015.4685 20553.7271 14471.0768 261.1918 -202960.5468 2360.6447 0.0000 0.0000 51944.7139 -109353.7241 298.5270 -161298.4380 -109006.0602 299.7243 72.7904 96.8771 760797.8906 -8.7004 -8.7887 PRESSURE: 2542600 205.83 78.7236 464.403 78.7239 -230.196 -81.2412 464.403 -81.2415 93.6987 GPRESSURE: 2542600 210.435 9.85848 301.861 114.908 -129.325 -29.9061 313.258 -77.6214 87.243 PRESSAVG: 2542600 53.4985 -14.9224 36.4371 -14.9223 -27.9913 -42.503 36.437 -42.5031 -14.9897 GPRESSAVG: 2542600 50.4957 -14.1727 35.3988 -15.0783 -26.6101 -44.0497 34.1878 -38.9468 -13.7888 TIMING: 2542600 CPU: 8037.41, 0.00314214/step Wall: 8037.41, 0.00314214/step, 2.14486 hours remaining, 238.617188 MB of memory in use. ENERGY: 2542600 3981.3027 20561.9849 14523.7730 282.8093 -203308.9260 2498.8353 0.0000 0.0000 52180.9030 -109279.3177 299.8844 -161460.2207 -108912.6946 299.9778 23.1109 56.1174 760753.0144 3.5058 3.3656 PRESSURE: 2542800 -67.0897 30.7093 356.469 30.7091 181.616 145.395 356.468 145.394 -355.163 GPRESSURE: 2542800 2.41937 -49.9416 331.358 -39.1401 117.743 144.72 379.7 195.061 -272.031 PRESSAVG: 2542800 6.55952 -14.9562 18.6237 -14.9562 -24.3922 -1.57132 18.6237 -1.57132 -1.57467 GPRESSAVG: 2542800 7.77765 -15.432 17.758 -13.1743 -24.898 -0.742079 19.3236 -4.40846 -2.41666 TIMING: 2542800 CPU: 8038.04, 0.00317636/step Wall: 8038.04, 0.00317636/step, 2.16804 hours remaining, 238.617188 MB of memory in use. ENERGY: 2542800 3985.7450 20511.4988 14497.2657 256.9982 -203148.8482 2514.3117 0.0000 0.0000 52204.6074 -109178.4214 300.0206 -161383.0288 -108819.9150 299.7613 -80.2121 -50.6229 760607.6323 -6.4691 -6.5123 PRESSURE: 2543000 349.398 -330.737 -170.245 -330.737 -22.4223 105.621 -170.245 105.622 91.6172 GPRESSURE: 2543000 341.911 -292.302 -210.649 -326.139 84.4872 99.342 -127.62 75.5311 89.0337 PRESSAVG: 2543000 7.78411 -80.8737 31.5353 -80.8738 9.3585 -10.328 31.5353 -10.328 -16.4931 GPRESSAVG: 2543000 8.2229 -79.2341 31.7545 -82.5738 9.46662 -9.3015 33.2587 -9.11771 -16.6122 TIMING: 2543000 CPU: 8038.68, 0.00316555/step Wall: 8038.68, 0.00316555/step, 2.16048 hours remaining, 238.617188 MB of memory in use. ENERGY: 2543000 4057.4991 20688.3985 14529.7537 278.6253 -203723.6650 2971.7924 0.0000 0.0000 51910.5430 -109287.0530 298.3306 -161197.5961 -108931.1269 299.3538 139.5310 171.8107 759814.6698 0.2165 0.3591 PRESSURE: 2543200 -38.8264 -3.67338 159.397 -3.6735 -188.694 -162.37 159.396 -162.369 432.959 GPRESSURE: 2543200 -90.7329 -29.5378 257.017 -128.225 -106.485 -201.374 100.448 -119.447 467.479 PRESSAVG: 2543200 38.061 11.9416 53.2053 11.9416 -9.76079 -44.1068 53.2052 -44.1067 15.7135 GPRESSAVG: 2543200 37.7046 10.9047 54.7148 12.3878 -8.91045 -43.9561 51.9853 -44.1915 15.4092 TIMING: 2543200 CPU: 8039.31, 0.00316241/step Wall: 8039.31, 0.00316241/step, 2.15817 hours remaining, 238.617188 MB of memory in use. ENERGY: 2543200 4181.7057 20718.5066 14504.2670 244.4792 -203295.9771 2337.6365 0.0000 0.0000 52007.5945 -109301.7877 298.8884 -161309.3822 -108933.8896 299.8551 68.4794 90.0873 760160.9615 14.6712 14.7344 PRESSURE: 2543400 -202.537 -152.427 -53.4768 -152.428 -69.0407 58.1641 -53.4768 58.164 -242.085 GPRESSURE: 2543400 -180.902 -203.442 -51.2715 -146.186 -78.9626 79.1489 -124.195 -56.2348 -184.287 PRESSAVG: 2543400 17.7443 -18.0448 79.459 -18.0448 -56.5372 -36.313 79.459 -36.313 12.9079 GPRESSAVG: 2543400 17.6996 -17.9599 79.9942 -17.92 -57.691 -36.5228 81.2682 -36.3868 13.307 TIMING: 2543400 CPU: 8039.94, 0.00315835/step Wall: 8039.94, 0.00315835/step, 2.15522 hours remaining, 238.617188 MB of memory in use. ENERGY: 2543400 4076.9669 20517.4601 14575.1464 254.0954 -203492.2830 2435.7687 0.0000 0.0000 52316.6086 -109316.2370 300.6643 -161632.8455 -108945.1684 300.1548 -171.2209 -148.0507 760334.7346 -8.6283 -8.8948 PRESSURE: 2543600 105.038 -246.502 54.2275 -246.502 47.3251 -163.926 54.2288 -163.926 323.252 GPRESSURE: 2543600 69.3271 -145.646 89.3372 -305.494 189.528 -182.132 -2.14824 -229.745 304.307 PRESSAVG: 2543600 47.0004 -59.5811 30.2559 -59.5812 -30.5888 -35.5809 30.2559 -35.5809 0.014021 GPRESSAVG: 2543600 47.4023 -58.5752 29.8173 -60.5187 -30.7214 -36.0059 29.0009 -35.6119 0.653332 TIMING: 2543600 CPU: 8040.57, 0.00314607/step Wall: 8040.57, 0.00314607/step, 2.14667 hours remaining, 238.617188 MB of memory in use. ENERGY: 2543600 4001.0580 20583.8285 14486.6390 254.1886 -203240.8806 2508.0690 0.0000 0.0000 52052.8483 -109354.2492 299.1484 -161407.0975 -109002.8216 299.3533 158.5381 187.7207 760420.7023 5.4752 5.7781 PRESSURE: 2543800 122.68 -85.7484 36.4852 -85.749 -74.843 -93.9861 36.4856 -93.9858 270.868 GPRESSURE: 2543800 76.583 -101.663 55.4734 1.18886 -26.6503 -36.289 147.721 -53.1187 337.927 PRESSAVG: 2543800 -20.1202 -38.0698 -52.3853 -38.0698 10.2389 -17.6681 -52.3853 -17.6681 5.11016 GPRESSAVG: 2543800 -20.1132 -41.2548 -51.8957 -35.0135 10.0343 -16.3001 -51.0889 -15.84 4.80297 TIMING: 2543800 CPU: 8041.2, 0.00315622/step Wall: 8041.2, 0.00315622/step, 2.15342 hours remaining, 238.617188 MB of memory in use. ENERGY: 2543800 3976.4910 20515.0520 14515.2329 234.9039 -203991.8468 2861.1626 0.0000 0.0000 52511.4056 -109377.5988 301.7838 -161889.0044 -109028.1008 300.1563 106.2352 129.2865 759259.6208 -1.5904 -1.7586 PRESSURE: 2544000 97.2894 74.2167 245.044 74.2163 -92.6724 -121.37 245.044 -121.371 -228.351 GPRESSURE: 2544000 51.429 -81.5506 277.703 60.2759 -32.0745 -52.582 244.436 -169.643 -159.109 PRESSAVG: 2544000 18.7382 -31.6374 51.5004 -31.6373 38.6672 -20.644 51.5003 -20.6441 -8.19453 GPRESSAVG: 2544000 18.6104 -30.6447 50.8209 -33.1422 38.0694 -18.9003 52.2568 -23.7229 -7.9543 TIMING: 2544000 CPU: 8041.83, 0.00314751/step Wall: 8041.83, 0.00314751/step, 2.1473 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2544000 4046.1839 20683.7882 14431.0126 254.1941 -202925.1340 2095.7600 0.0000 0.0000 52144.5910 -109269.6042 299.6757 -161414.1952 -108900.2602 300.3916 -74.5779 -46.5848 759995.2530 16.4036 16.2418 PRESSURE: 2544200 -147.455 -27.0888 -189.229 -27.0876 -8.00081 -110.021 -189.229 -110.022 350.07 GPRESSURE: 2544200 -88.8124 -26.1039 -231.551 33.6458 25.2579 -182.05 -247.958 -114.773 330.173 PRESSAVG: 2544200 -44.7598 -19.4642 44.5259 -19.4641 57.4449 11.9436 44.5258 11.9437 39.7744 GPRESSAVG: 2544200 -45.0449 -17.9335 44.3696 -18.6254 58.1852 9.33706 41.6858 15.0623 40.0899 TIMING: 2544200 CPU: 8042.46, 0.00314828/step Wall: 8042.46, 0.00314828/step, 2.14765 hours remaining, 238.617188 MB of memory in use. ENERGY: 2544200 4078.5229 20670.2400 14495.9125 265.4531 -203344.6732 2418.1350 0.0000 0.0000 52173.3847 -109243.0251 299.8412 -161416.4097 -108892.3453 300.5113 64.8712 88.8730 757738.5453 17.4865 17.7434 LDB: ============= START OF LOAD BALANCING ============== 8054.86 LDB: ============== END OF LOAD BALANCING =============== 8054.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8054.86 LDB: ============= START OF LOAD BALANCING ============== 8055.17 LDB: Largest compute 7058 load 0.034442 is 17.6% of average load 0.196037 LDB: Average compute 0.004397 is 2.2% of average load 0.196037 LDB: TIME 8055.18 LOAD: AVG 0.196037 MAX 0.21869 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 8055.18 LOAD: AVG 0.196037 MAX 0.21869 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 8055.18 LOAD: AVG 0.196037 MAX 0.21869 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 8055.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8055.18 PRESSURE: 2544400 -220.489 -138.843 308.987 -138.842 -457.652 -92.7394 308.988 -92.7383 -297.406 GPRESSURE: 2544400 -268.399 33.2457 278.732 -180.568 -330.81 -185.317 349.059 -31.9106 -282.607 PRESSAVG: 2544400 -11.9913 -29.8496 47.2304 -29.8496 24.9967 -49.6444 47.2303 -49.6444 -26.7779 GPRESSAVG: 2544400 -11.8941 -28.7298 46.7093 -33.0332 25.822 -49.358 50.1085 -51.0064 -27.3305 TIMING: 2544400 CPU: 8043.1, 0.00320883/step Wall: 8043.1, 0.00320883/step, 2.18878 hours remaining, 240.406250 MB of memory in use. ENERGY: 2544400 3961.7608 20686.4318 14425.9968 263.4769 -203178.9289 2337.9300 0.0000 0.0000 52145.9081 -109357.4244 299.6833 -161503.3325 -108984.5484 299.9702 -325.1824 -293.9389 761015.0948 -4.5908 -4.4675 PRESSURE: 2544600 -404.223 -74.8284 -107.637 -74.8277 71.6866 63.7823 -107.636 63.7835 121.074 GPRESSURE: 2544600 -352.012 -171.91 -93.5156 -84.2227 35.0309 -27.5852 -148.636 43.754 187.49 PRESSAVG: 2544600 -23.7429 13.5842 22.8835 13.5842 3.72015 -51.1292 22.8835 -51.1292 -8.3928 GPRESSAVG: 2544600 -23.198 12.352 22.8549 15.4577 2.96958 -51.6359 21.5064 -53.1206 -8.81016 TIMING: 2544600 CPU: 8043.73, 0.00313444/step Wall: 8043.73, 0.00313444/step, 2.13786 hours remaining, 240.472656 MB of memory in use. ENERGY: 2544600 3980.0896 20617.9178 14477.3413 249.4976 -203359.1625 2395.9502 0.0000 0.0000 52247.7793 -109390.5867 300.2687 -161638.3661 -109020.9649 299.5662 -70.4876 -43.1639 760897.3249 -9.4718 -9.6795 PRESSURE: 2544800 186.094 -56.8497 144.579 -56.8493 23.7708 -97.668 144.579 -97.6673 -63.929 GPRESSURE: 2544800 169.562 4.88716 143.672 -83.9024 116.377 -189.864 124.818 -21.3258 -46.1774 PRESSAVG: 2544800 5.33679 34.3781 6.4047 34.3782 51.7573 3.32388 6.40472 3.32386 2.49449 GPRESSAVG: 2544800 6.09723 32.7002 7.27974 34.9975 50.4451 3.32906 6.6699 5.83792 3.32018 TIMING: 2544800 CPU: 8044.36, 0.00317001/step Wall: 8044.36, 0.00317001/step, 2.16195 hours remaining, 240.472656 MB of memory in use. ENERGY: 2544800 4025.2482 20522.9034 14462.9845 267.1566 -203865.9882 3028.4684 0.0000 0.0000 52136.1674 -109423.0598 299.6273 -161559.2272 -109063.6012 299.8499 48.6454 79.9205 760289.5860 19.8629 19.9542 PRESSURE: 2545000 -532.24 47.6055 85.7947 47.6065 -200.415 -119.92 85.7948 -119.922 -497.658 GPRESSURE: 2545000 -511.12 40.4745 103.674 32.8715 -126.241 -153.523 23.6161 -10.2185 -484.402 PRESSAVG: 2545000 -4.40164 -20.7351 50.5731 -20.7352 52.3299 -13.3213 50.5731 -13.3214 25.7548 GPRESSAVG: 2545000 -5.23899 -19.0898 50.9373 -22.1372 54.2927 -10.9945 49.4978 -15.7915 24.4939 TIMING: 2545000 CPU: 8045, 0.00316256/step Wall: 8045, 0.00316256/step, 2.15669 hours remaining, 240.472656 MB of memory in use. ENERGY: 2545000 4088.7599 20533.0135 14519.4811 267.4299 -203095.0128 1998.9510 0.0000 0.0000 52126.5869 -109560.7905 299.5722 -161687.3774 -109201.9397 300.1308 -410.1042 -373.9208 759998.0439 24.5610 24.5159 PRESSURE: 2545200 -177.629 92.8941 -18.79 92.8932 21.3636 -155.355 -18.7901 -155.355 47.2734 GPRESSURE: 2545200 -183.726 -37.5156 37.8545 77.0811 57.4251 -234.249 35.2805 -69.1232 110.027 PRESSAVG: 2545200 -18.787 -35.5039 9.49169 -35.504 30.1837 -3.60373 9.49164 -3.60371 5.0698 GPRESSAVG: 2545200 -18.6239 -35.8614 7.93092 -34.3249 29.2545 -5.22588 10.1508 -0.67104 5.28059 TIMING: 2545200 CPU: 8045.63, 0.0031507/step Wall: 8045.63, 0.0031507/step, 2.14842 hours remaining, 240.472656 MB of memory in use. ENERGY: 2545200 3972.0945 20545.3698 14482.6951 248.7593 -203812.9528 2600.7017 0.0000 0.0000 52419.9531 -109543.3793 301.2582 -161963.3324 -109187.4712 299.6997 -36.3306 -5.4247 760066.7913 5.4888 5.3037 PRESSURE: 2545400 -268.488 -84.9333 84.3329 -84.9328 -227.799 97.6155 84.3323 97.6152 44.0876 GPRESSURE: 2545400 -380.336 -180.31 156.786 -40.9512 -175.62 125.346 35.7433 145.321 169.108 PRESSAVG: 2545400 -14.0768 -40.4925 40.0933 -40.4926 32.0121 22.0742 40.0932 22.0742 -15.9242 GPRESSAVG: 2545400 -14.0379 -41.5116 41.8329 -40.6777 31.7379 22.4116 40.6833 20.0848 -14.9743 TIMING: 2545400 CPU: 8046.26, 0.00315905/step Wall: 8046.26, 0.00315905/step, 2.15395 hours remaining, 240.472656 MB of memory in use. ENERGY: 2545400 4095.0017 20522.8955 14474.9251 243.6190 -203217.8308 2354.1001 0.0000 0.0000 52031.4929 -109495.7966 299.0257 -161527.2895 -109125.1023 299.4456 -150.7331 -128.9490 760768.3272 0.6704 0.9086 PRESSURE: 2545600 -143.553 -172.103 -220.847 -172.103 305.453 72.4991 -220.848 72.4991 183.347 GPRESSURE: 2545600 -117.633 -79.6352 -191.765 -117.62 373.289 154.025 -290.141 88.879 176.677 PRESSAVG: 2545600 -20.807 -50.0824 -26.4913 -50.0824 5.40252 6.54812 -26.4913 6.54819 2.69023 GPRESSAVG: 2545600 -21.6963 -47.8463 -25.2681 -51.151 4.88231 7.18568 -27.7803 8.56119 3.37401 TIMING: 2545600 CPU: 8046.89, 0.00314299/step Wall: 8046.89, 0.00314299/step, 2.14282 hours remaining, 240.472656 MB of memory in use. ENERGY: 2545600 4010.4186 20598.0437 14551.7899 264.1708 -203517.4147 2618.2553 0.0000 0.0000 51858.6509 -109616.0855 298.0324 -161474.7364 -109255.5443 298.9815 115.0824 144.1110 761161.9031 -4.2381 -4.4800 PRESSURE: 2545800 -276.418 -5.99697 40.0803 -5.99628 -323.027 53.8509 40.0802 53.8501 172.74 GPRESSURE: 2545800 -180.03 -46.211 26.2324 19.8081 -317.163 -26.9409 110.06 58.9571 154.196 PRESSAVG: 2545800 -2.98025 -54.5123 -3.79172 -54.5123 10.9574 8.17954 -3.79171 8.17953 -4.08724 GPRESSAVG: 2545800 -1.32233 -54.6043 -6.00266 -53.7479 11.2509 8.70383 -3.65944 6.94304 -5.36499 TIMING: 2545800 CPU: 8047.51, 0.003141/step Wall: 8047.51, 0.003141/step, 2.14129 hours remaining, 240.472656 MB of memory in use. ENERGY: 2545800 4023.9978 20532.0154 14440.8697 219.1458 -203747.2205 2655.5864 0.0000 0.0000 52113.8568 -109761.7487 299.4991 -161875.6054 -109398.9569 298.5802 -142.2350 -114.3325 759937.2474 1.2966 1.5212 PRESSURE: 2546000 -386.37 59.5632 -26.2862 59.5633 -231.293 -244.568 -26.2861 -244.57 -244.268 GPRESSURE: 2546000 -363.173 32.0434 -5.49123 122.752 -138.775 -239.484 -22.9596 -149.484 -283.982 PRESSAVG: 2546000 -26.0995 -48.6395 -60.578 -48.6395 12.5693 -10.4499 -60.578 -10.4499 22.0962 GPRESSAVG: 2546000 -26.2369 -48.856 -59.0521 -48.7646 11.9972 -12.9403 -60.2646 -9.73408 22.1725 TIMING: 2546000 CPU: 8048.14, 0.0031409/step Wall: 8048.14, 0.0031409/step, 2.14105 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2546000 3988.9519 20660.6277 14394.1714 251.3000 -203501.2033 2511.5169 0.0000 0.0000 52146.3818 -109548.2537 299.6860 -161694.6355 -109183.9481 298.9876 -287.3103 -261.9767 760620.5933 2.8553 2.6443 PRESSURE: 2546200 -119.524 -197.505 -164.11 -197.505 -336.777 20.0663 -164.11 20.0662 -227.395 GPRESSURE: 2546200 -148.51 -214.01 -112.17 -156.45 -197.814 106.182 -173.972 10.5351 -243.724 PRESSAVG: 2546200 -7.12643 -11.3535 -20.4671 -11.3534 12.2925 3.68714 -20.4671 3.68714 -3.36855 GPRESSAVG: 2546200 -7.47686 -12.8152 -21.277 -10.9763 12.9392 5.98251 -22.3581 2.76026 -3.05793 TIMING: 2546200 CPU: 8048.77, 0.0031346/step Wall: 8048.77, 0.0031346/step, 2.13658 hours remaining, 240.472656 MB of memory in use. ENERGY: 2546200 3993.1499 20523.4826 14399.9591 242.8546 -203321.2734 2349.4093 0.0000 0.0000 52329.6058 -109482.8121 300.7390 -161812.4179 -109118.4102 299.0794 -227.8987 -196.6827 759363.9864 0.5992 0.8015 PRESSURE: 2546400 -138.239 69.0295 -108.056 69.0299 -60.5791 279.699 -108.057 279.699 23.7778 GPRESSURE: 2546400 -97.3065 151.819 -46.2652 43.316 -28.4299 299.322 -202.054 208.021 24.6552 PRESSAVG: 2546400 21.2569 -43.6729 -56.6293 -43.6729 0.839511 23.6633 -56.6293 23.6633 22.6309 GPRESSAVG: 2546400 21.0214 -44.6879 -55.9087 -42.644 -0.743305 22.5398 -57.0406 23.8543 24.0208 TIMING: 2546400 CPU: 8049.4, 0.0031343/step Wall: 8049.4, 0.0031343/step, 2.1362 hours remaining, 240.472656 MB of memory in use. ENERGY: 2546400 3998.6762 20564.3634 14506.3891 274.6387 -203169.9355 2383.7521 0.0000 0.0000 51988.9016 -109453.2143 298.7809 -161442.1159 -109088.0087 299.7626 -58.3467 -33.6937 759229.5590 14.9091 14.7663 PRESSURE: 2546600 -179.276 109.488 58.0835 109.488 -449.828 194.926 58.0838 194.926 -257.679 GPRESSURE: 2546600 -166.115 152.425 -2.46219 -47.4164 -380.818 186.196 -9.25389 118.241 -257.573 PRESSAVG: 2546600 61.1322 0.667106 1.68982 0.667086 -27.6024 25.066 1.68985 25.0659 6.75446 GPRESSAVG: 2546600 60.0822 -0.840622 0.51847 0.627896 -26.2152 25.508 2.48613 26.7868 6.34205 TIMING: 2546600 CPU: 8050.03, 0.00315296/step Wall: 8050.03, 0.00315296/step, 2.14874 hours remaining, 240.472656 MB of memory in use. ENERGY: 2546600 3969.6805 20526.1901 14462.6657 242.8898 -203042.4448 2417.4273 0.0000 0.0000 52057.6323 -109365.9592 299.1759 -161423.5915 -109001.0027 299.7166 -295.5945 -268.1686 760816.7474 13.4281 13.4030 PRESSURE: 2546800 402.408 -189.738 80.0352 -189.738 -57.1668 81.6823 80.035 81.6811 333.018 GPRESSURE: 2546800 436.834 -59.0305 169.393 -182.162 23.1569 102.308 156.846 -11.657 275.348 PRESSAVG: 2546800 0.220989 28.5665 -22.052 28.5665 15.6599 -15.2692 -22.0521 -15.2693 20.3671 GPRESSAVG: 2546800 1.88191 31.2983 -20.141 28.1453 16.1107 -16.5547 -21.92 -15.4144 18.4897 TIMING: 2546800 CPU: 8050.66, 0.00315347/step Wall: 8050.66, 0.00315348/step, 2.14892 hours remaining, 240.472656 MB of memory in use. ENERGY: 2546800 3999.1069 20560.3042 14476.6407 262.8432 -203756.3933 2781.4629 0.0000 0.0000 52302.4777 -109373.5578 300.5831 -161676.0355 -109006.4649 299.8074 226.0864 245.1129 761751.0857 12.0827 12.1608 PRESSURE: 2547000 216.536 119.473 -224.274 119.474 56.0425 -281.345 -224.274 -281.344 212.501 GPRESSURE: 2547000 263.902 51.725 -237.745 -58.6531 79.5133 -186.645 -184.649 -109.822 218.409 PRESSAVG: 2547000 23.5415 -18.4526 -21.0333 -18.4526 -56.3981 26.2367 -21.0333 26.2367 -8.93362 GPRESSAVG: 2547000 24.7345 -19.2489 -22.565 -18.8091 -57.2049 26.507 -21.03 27.4909 -9.18042 TIMING: 2547000 CPU: 8051.29, 0.00314108/step Wall: 8051.29, 0.00314108/step, 2.1403 hours remaining, 240.472656 MB of memory in use. ENERGY: 2547000 4049.9740 20630.4037 14465.4501 248.8233 -203227.4968 2680.7438 0.0000 0.0000 52126.0011 -109026.1009 299.5688 -161152.1020 -108668.5314 299.5465 161.6933 187.2748 761497.2285 -13.9301 -13.8836 PRESSURE: 2547200 -92.2188 -94.6669 17.0278 -94.6664 -220.6 118.301 17.0274 118.302 -308.608 GPRESSURE: 2547200 -112.453 -118.561 -12.7454 -24.001 -246.024 53.2199 68.5899 1.87021 -188.789 PRESSAVG: 2547200 33.107 -11.3485 -32.2009 -11.3484 -50.4073 -16.9957 -32.2009 -16.9956 -32.8693 GPRESSAVG: 2547200 31.2264 -12.801 -31.5319 -12.5928 -49.4749 -17.1977 -30.8174 -18.6916 -32.2013 TIMING: 2547200 CPU: 8051.92, 0.00314878/step Wall: 8051.92, 0.00314878/step, 2.14537 hours remaining, 240.472656 MB of memory in use. ENERGY: 2547200 4017.8820 20553.3044 14456.4440 265.1788 -203129.9615 2440.1879 0.0000 0.0000 52103.7709 -109293.1935 299.4411 -161396.9644 -108922.5039 299.6058 -207.1422 -182.4220 761071.3484 -16.7232 -16.8166 PRESSURE: 2547400 335.656 199.857 139.004 199.858 -7.55109 156.94 139.003 156.94 -80.438 GPRESSURE: 2547400 370.624 283.632 93.5063 98.3809 105.508 76.9377 12.68 109.998 -128.607 PRESSAVG: 2547400 23.7087 14.8809 -52.0256 14.881 -19.4124 -6.43598 -52.0257 -6.436 -4.2144 GPRESSAVG: 2547400 23.3381 16.5183 -52.1037 14.8164 -19.2683 -6.58644 -52.5174 -7.87462 -3.80706 TIMING: 2547400 CPU: 8052.55, 0.00315238/step Wall: 8052.55, 0.00315238/step, 2.14765 hours remaining, 240.472656 MB of memory in use. ENERGY: 2547400 3924.9824 20532.5728 14505.7450 242.5286 -203281.6192 2615.7931 0.0000 0.0000 52149.0284 -109310.9689 299.7012 -161459.9973 -108937.9717 299.3439 82.5555 115.8417 761394.7724 0.0273 0.0876 PRESSURE: 2547600 -184.365 -36.4396 -12.8442 -36.4401 207.48 -37.4276 -12.845 -37.4273 285.832 GPRESSURE: 2547600 -98.8268 51.2569 9.37184 32.0404 171.953 -51.3055 40.2946 -90.4511 316.313 PRESSAVG: 2547600 -1.07257 -8.50995 -35.7045 -8.50989 -8.96457 31.8995 -35.7045 31.8996 0.553992 GPRESSAVG: 2547600 0.746651 -9.13695 -35.5996 -7.43996 -9.40203 33.0813 -36.5683 33.3959 -1.23436 TIMING: 2547600 CPU: 8053.17, 0.00314423/step Wall: 8053.17, 0.00314423/step, 2.14192 hours remaining, 240.472656 MB of memory in use. ENERGY: 2547600 4070.6013 20428.4858 14528.9426 243.9060 -203844.3693 3023.5146 0.0000 0.0000 52373.5807 -109175.3383 300.9917 -161548.9190 -108815.2800 300.2879 102.9823 129.8132 761442.7036 -3.1611 -3.2966 PRESSURE: 2547800 99.106 -108.227 83.4434 -108.226 -48.7922 -86.8463 83.4432 -86.8454 -16.1679 GPRESSURE: 2547800 197.596 -70.2406 39.7712 -175.951 -70.0995 -42.8094 79.1292 -162.583 2.69735 PRESSAVG: 2547800 -2.69653 -11.2578 14.2565 -11.2577 -19.5231 -5.60816 14.2565 -5.60815 9.19839 GPRESSAVG: 2547800 -2.46676 -11.356 12.519 -9.08486 -20.4099 -6.46169 15.5926 -4.97305 9.82338 TIMING: 2547800 CPU: 8053.81, 0.00315283/step Wall: 8053.81, 0.00315283/step, 2.1476 hours remaining, 240.472656 MB of memory in use. ENERGY: 2547800 4047.5053 20427.8201 14439.0468 244.1460 -202943.5986 2506.6141 0.0000 0.0000 52023.1918 -109255.2744 298.9780 -161278.4662 -108897.3416 300.0389 11.3819 43.3980 762084.7821 -4.3404 -4.3511 PRESSURE: 2548000 -399.16 -3.05463 -6.49306 -3.05474 104.342 -150.344 -6.49424 -150.343 -188.905 GPRESSURE: 2548000 -290.795 29.4984 -37.2143 125.58 0.189537 -204.046 -84.3841 -122.536 -90.1615 PRESSAVG: 2548000 4.24891 -11.1623 15.173 -11.1623 -1.09075 -36.111 15.173 -36.111 -5.3672 GPRESSAVG: 2548000 3.77064 -9.54319 16.3676 -12.7062 -1.54461 -33.3492 15.0112 -37.1276 -4.41409 TIMING: 2548000 CPU: 8054.44, 0.00315912/step Wall: 8054.44, 0.00315912/step, 2.15171 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2548000 4002.8221 20477.2528 14426.2076 252.5523 -202727.8845 2344.0929 0.0000 0.0000 52249.7618 -108975.1948 300.2801 -161224.9567 -108613.0246 299.6592 -161.2410 -126.9222 762951.1704 -0.7363 -0.7294 PRESSURE: 2548200 -56.4601 -10.891 116.452 -10.8893 150.227 -54.0318 116.452 -54.0312 -145.415 GPRESSURE: 2548200 1.54055 -117.244 112.622 17.4747 149.165 -53.6644 32.0704 -211.975 -125.509 PRESSAVG: 2548200 -22.7676 -11.7525 -55.2097 -11.7525 40.1864 -14.0464 -55.2097 -14.0463 8.30222 GPRESSAVG: 2548200 -23.3495 -13.4487 -53.9054 -12.4773 42.3761 -16.0542 -56.6933 -13.3567 7.04995 TIMING: 2548200 CPU: 8055.07, 0.0031668/step Wall: 8055.07, 0.0031668/step, 2.15677 hours remaining, 240.472656 MB of memory in use. ENERGY: 2548200 4050.7602 20551.8190 14459.6604 223.2161 -203171.0086 2556.4901 0.0000 0.0000 52159.0333 -109170.0294 299.7587 -161329.0627 -108808.2242 299.9762 -17.2159 8.3988 761994.0958 8.5737 8.6922 LDB: ============= START OF LOAD BALANCING ============== 8067.47 LDB: ============== END OF LOAD BALANCING =============== 8067.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8067.47 LDB: ============= START OF LOAD BALANCING ============== 8067.79 LDB: Largest compute 7075 load 0.035889 is 18.3% of average load 0.196006 LDB: Average compute 0.004399 is 2.2% of average load 0.196006 LDB: TIME 8067.79 LOAD: AVG 0.196006 MAX 0.217744 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 8067.79 LOAD: AVG 0.196006 MAX 0.217744 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.539 MB LDB: TIME 8067.79 LOAD: AVG 0.196006 MAX 0.217744 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.539 MB LDB: ============== END OF LOAD BALANCING =============== 8067.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8067.8 PRESSURE: 2548400 212.059 22.6934 -51.4219 22.6931 394.998 139.085 -51.4222 139.085 115.907 GPRESSURE: 2548400 187.766 10.2512 2.52205 76.8731 466.92 188.063 -93.8665 89.9178 165.922 PRESSAVG: 2548400 31.9371 -27.7618 21.199 -27.7617 26.4043 -8.73409 21.1989 -8.73395 -24.5741 GPRESSAVG: 2548400 31.405 -26.6943 20.618 -28.0585 25.912 -7.05217 22.2437 -10.8559 -23.4699 TIMING: 2548400 CPU: 8055.71, 0.00322165/step Wall: 8055.71, 0.00322165/step, 2.19394 hours remaining, 239.617188 MB of memory in use. ENERGY: 2548400 3990.6232 20350.3688 14379.0174 234.8191 -203631.2019 2917.6653 0.0000 0.0000 52338.2206 -109420.4874 300.7885 -161758.7080 -109053.9748 299.8341 240.9879 273.5360 759597.9333 11.2558 11.2824 PRESSURE: 2548600 25.1745 -195.686 -92.7509 -195.686 214.721 -214.697 -92.7506 -214.698 128.396 GPRESSURE: 2548600 86.3219 -180.917 -131.133 -112.65 141.031 -164.416 -184.241 -104.308 221.925 PRESSAVG: 2548600 49.6444 15.771 -9.81868 15.771 -14.0045 -28.6073 -9.81869 -28.6074 19.3695 GPRESSAVG: 2548600 49.7686 15.7922 -11.9057 17.4502 -13.4473 -28.5852 -11.0672 -27.8806 18.8585 TIMING: 2548600 CPU: 8056.35, 0.00315645/step Wall: 8056.35, 0.00315645/step, 2.14937 hours remaining, 239.617188 MB of memory in use. ENERGY: 2548600 3978.7851 20518.9668 14442.2844 239.4400 -203433.3958 2572.7441 0.0000 0.0000 52138.6344 -109542.5412 299.6414 -161681.1755 -109175.7822 299.7445 122.7638 149.7594 760602.2796 18.3365 18.3933 PRESSURE: 2548800 48.0345 10.314 186.032 10.3146 88.565 173.159 186.032 173.159 334.469 GPRESSURE: 2548800 135.618 31.7919 216.872 -14.1536 97.277 226.734 205.413 60.2678 301.998 PRESSAVG: 2548800 -6.73144 0.368655 57.3434 0.368639 -2.89487 1.60024 57.3434 1.60019 -9.99255 GPRESSAVG: 2548800 -6.19382 -0.0292974 60.6247 -0.53518 -4.09116 1.43132 56.9969 3.05483 -9.90059 TIMING: 2548800 CPU: 8056.98, 0.00316711/step Wall: 8056.98, 0.00316711/step, 2.15645 hours remaining, 239.617188 MB of memory in use. ENERGY: 2548800 4012.8196 20281.5797 14414.3017 231.5391 -203019.5367 2461.3524 0.0000 0.0000 52096.2314 -109521.7128 299.3978 -161617.9441 -109148.8862 299.3818 157.0227 178.2977 760784.7149 -6.5396 -6.7285 PRESSURE: 2549000 27.0049 -98.5905 74.7171 -98.5906 -73.7685 113.166 74.7171 113.167 146.914 GPRESSURE: 2549000 84.6022 -159.514 98.3089 -222.355 -64.3563 129.499 82.325 101.664 180.305 PRESSAVG: 2549000 -9.35047 -30.2087 61.647 -30.2087 25.7245 -8.38938 61.6471 -8.38933 21.5049 GPRESSAVG: 2549000 -10.8694 -28.457 60.6207 -30.0372 26.1945 -8.41648 63.7034 -8.56893 22.4255 TIMING: 2549000 CPU: 8057.61, 0.00314765/step Wall: 8057.61, 0.00314765/step, 2.14302 hours remaining, 239.617188 MB of memory in use. ENERGY: 2549000 3929.0461 20505.8353 14458.3104 267.9333 -203391.8346 2599.5496 0.0000 0.0000 51867.8866 -109763.2733 298.0855 -161631.1598 -109401.6519 299.2235 33.3835 66.8503 760997.6819 12.6263 12.5835 PRESSURE: 2549200 -81.5534 28.2085 239.819 28.209 -32.9889 49.5542 239.819 49.5531 78.1365 GPRESSURE: 2549200 -56.1546 -48.7912 276.691 126.932 34.9974 140.067 188.583 44.513 61.7035 PRESSAVG: 2549200 47.2304 -59.9488 39.0084 -59.9488 26.27 -11.358 39.0084 -11.358 1.35559 GPRESSAVG: 2549200 48.4216 -60.917 37.7014 -59.9035 26.5795 -12.5463 38.246 -11.9974 -0.305569 TIMING: 2549200 CPU: 8058.24, 0.00314806/step Wall: 8058.24, 0.00314806/step, 2.14313 hours remaining, 239.617188 MB of memory in use. ENERGY: 2549200 4000.6530 20603.0812 14457.8354 260.8660 -203470.8326 2448.0464 0.0000 0.0000 52089.4252 -109610.9255 299.3586 -161700.3507 -109257.3741 298.7358 -12.1353 13.5154 760239.8644 24.9520 24.8985 PRESSURE: 2549400 -65.8138 -91.3813 -277.006 -91.3816 545.848 343.766 -277.006 343.765 31.1024 GPRESSURE: 2549400 10.1759 -159.245 -235.06 -140.094 480.336 361.228 -264.721 237.163 90.2125 PRESSAVG: 2549400 27.0788 -11.1802 -28.7226 -11.1802 8.08109 -7.79095 -28.7226 -7.79102 -19.2145 GPRESSAVG: 2549400 27.0538 -11.9963 -29.0092 -13.1043 6.5663 -7.6221 -28.18 -9.13442 -18.1384 TIMING: 2549400 CPU: 8058.87, 0.00315027/step Wall: 8058.87, 0.00315027/step, 2.14446 hours remaining, 239.617188 MB of memory in use. ENERGY: 2549400 3964.3794 20554.0040 14497.3844 257.4168 -203695.5642 2795.3415 0.0000 0.0000 51908.1662 -109718.8719 298.3169 -161627.0381 -109364.0903 299.0296 170.3790 193.5748 760267.8640 5.3151 5.1606 PRESSURE: 2549600 105.635 -118.798 -104.791 -118.798 -131.937 -54.3849 -104.791 -54.3852 22.2606 GPRESSURE: 2549600 85.4953 -150.776 -42.8791 28.259 -27.1079 -76.9096 26.2166 -127.298 20.5913 PRESSAVG: 2549600 -9.26598 -58.4831 12.7631 -58.4832 -28.5423 42.2639 12.7631 42.2639 22.8789 GPRESSAVG: 2549600 -9.97679 -60.274 14.0235 -56.4057 -27.8731 41.7607 12.3937 42.365 22.6765 TIMING: 2549600 CPU: 8059.5, 0.00315709/step Wall: 8059.5, 0.00315708/step, 2.14892 hours remaining, 239.617188 MB of memory in use. ENERGY: 2549600 4002.2603 20502.9194 14519.7832 247.6677 -203322.3833 2355.0236 0.0000 0.0000 51936.2975 -109758.4317 298.4786 -161694.7292 -109389.2923 299.0461 -1.3474 26.3262 759530.1549 -4.9764 -5.0578 PRESSURE: 2549800 -21.3058 -112.696 34.4776 -112.696 -17.2041 -103.182 34.478 -103.185 169.982 GPRESSURE: 2549800 -12.5109 -92.5779 -4.83158 -133.918 68.3282 3.2661 47.8163 43.5064 163.24 PRESSAVG: 2549800 29.707 -56.6197 6.57925 -56.6197 -23.8412 -66.0543 6.57927 -66.0543 4.43837 GPRESSAVG: 2549800 30.3721 -53.1463 5.25273 -56.6943 -24.2015 -66.604 7.88927 -63.3514 3.58536 TIMING: 2549800 CPU: 8060.13, 0.00314397/step Wall: 8060.13, 0.00314397/step, 2.13982 hours remaining, 239.617188 MB of memory in use. ENERGY: 2549800 3994.0550 20337.0606 14413.2711 237.6945 -203096.9422 2534.2894 0.0000 0.0000 52169.5981 -109410.9736 299.8194 -161580.5717 -109040.7377 299.3756 43.8239 73.0190 761769.6652 3.4347 3.2520 PRESSURE: 2550000 12.5978 84.9558 -34.5709 84.9557 -8.27994 -127.07 -34.5718 -127.071 -67.6039 GPRESSURE: 2550000 -2.26389 29.5984 -24.7741 42.1837 26.2874 -55.3652 -95.7029 -280.849 10.3522 PRESSAVG: 2550000 22.2257 1.17497 -19.6402 1.17496 2.16853 -57.266 -19.6403 -57.266 14.1197 GPRESSAVG: 2550000 21.4319 -0.97373 -18.8996 -0.444287 2.14838 -56.5618 -22.7852 -58.7274 15.1688 TIMING: 2550000 CPU: 8060.76, 0.003165/step Wall: 8060.76, 0.003165/step, 2.15396 hours remaining, 239.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2550000 3968.4311 20648.1710 14491.7022 235.0272 -203016.0765 2217.6735 0.0000 0.0000 52272.8797 -109182.1916 300.4130 -161455.0714 -108827.6281 299.4890 -21.0953 11.4586 760842.0581 12.8380 12.9163 PRESSURE: 2550200 3.65222 -76.4511 -8.04898 -76.4505 -110.936 -50.158 -8.04935 -50.1579 -378.654 GPRESSURE: 2550200 8.98605 -70.0109 -39.5004 -85.6138 -18.0386 -180.093 -6.92559 -188.653 -388.445 PRESSAVG: 2550200 24.894 -46.2489 -45.6777 -46.2489 -46.8714 10.2999 -45.6777 10.2999 -5.26839 GPRESSAVG: 2550200 26.4536 -46.7115 -45.1763 -45.7435 -47.3653 9.20328 -45.1161 9.86799 -6.1942 TIMING: 2550200 CPU: 8061.39, 0.00314117/step Wall: 8061.39, 0.00314117/step, 2.13757 hours remaining, 239.617188 MB of memory in use. ENERGY: 2550200 3996.2171 20677.1806 14447.8788 235.8782 -203507.9519 2784.0845 0.0000 0.0000 52214.1632 -109152.5494 300.0755 -161366.7126 -108786.4387 300.4037 -161.9792 -132.4991 761557.4794 -9.0819 -9.0353 PRESSURE: 2550400 32.4944 100.515 -55.6006 100.514 -229.949 248.818 -55.6007 248.819 -49.0737 GPRESSURE: 2550400 49.1593 105.367 -14.3256 90.0732 -180.191 241.359 -47.8162 215.531 -36.432 PRESSAVG: 2550400 24.0091 -39.4682 46.424 -39.4682 -43.5034 17.2464 46.424 17.2464 12.082 GPRESSAVG: 2550400 24.2623 -38.5413 45.8945 -39.8465 -44.0511 18.8248 47.1579 17.1329 12.4484 TIMING: 2550400 CPU: 8062.02, 0.00315592/step Wall: 8062.02, 0.00315592/step, 2.14743 hours remaining, 239.617188 MB of memory in use. ENERGY: 2550400 3998.1192 20353.7883 14465.8731 260.0091 -203369.1751 2685.0488 0.0000 0.0000 52479.6709 -109126.6657 301.6014 -161606.3366 -108758.2279 300.3265 -82.1761 -55.8213 761666.2670 -2.4708 -2.4468 PRESSURE: 2550600 -69.0793 191.067 -41.1455 191.067 -430.35 -51.3253 -41.1458 -51.3255 123.691 GPRESSURE: 2550600 -133.344 63.1196 36.0711 163.585 -222.484 -41.6806 -126.943 -65.6757 56.2454 PRESSAVG: 2550600 -19.8723 -17.3862 -17.268 -17.3861 11.8361 -15.7063 -17.268 -15.7063 -22.8813 GPRESSAVG: 2550600 -22.649 -17.7682 -16.473 -16.0584 13.1839 -15.4458 -17.9066 -16.3228 -21.4672 TIMING: 2550600 CPU: 8062.65, 0.00314592/step Wall: 8062.65, 0.00314592/step, 2.14045 hours remaining, 239.617188 MB of memory in use. ENERGY: 2550600 3980.1484 20582.0103 14505.9434 243.1987 -203282.9665 2742.7556 0.0000 0.0000 52101.2719 -109127.6383 299.4267 -161228.9101 -108757.4215 300.2062 -125.2461 -99.8609 760913.5986 -10.3059 -10.3108 PRESSURE: 2550800 132.537 199.886 87.8361 199.886 300.079 64.2249 87.8363 64.2247 14.0301 GPRESSURE: 2550800 182.028 189.602 157.497 279.686 309.492 21.5305 81.0201 123.426 59.7175 PRESSAVG: 2550800 52.0877 33.5464 -15.8258 33.5464 -60.0679 -39.1789 -15.8259 -39.1788 14.8435 GPRESSAVG: 2550800 54.5102 33.5294 -15.963 33.1173 -61.7883 -39.1891 -17.0854 -39.4213 14.3424 TIMING: 2550800 CPU: 8063.28, 0.00314365/step Wall: 8063.28, 0.00314365/step, 2.13873 hours remaining, 239.617188 MB of memory in use. ENERGY: 2550800 3946.9472 20573.9467 14415.7563 255.8763 -203204.9498 2613.6690 0.0000 0.0000 52117.6797 -109281.0746 299.5210 -161398.7543 -108922.4252 299.7782 148.8820 183.7460 760979.9125 2.2877 2.3548 PRESSURE: 2551000 -111.32 -151.868 -86.0155 -151.868 206.351 139.042 -86.0155 139.042 367.193 GPRESSURE: 2551000 -9.42358 -104.63 -187.007 -95.1387 257.167 148.926 -93.7094 16.8982 307.753 PRESSAVG: 2551000 0.0724997 31.6216 -5.33189 31.6215 32.1242 47.0246 -5.33187 47.0247 14.2169 GPRESSAVG: 2551000 -0.910594 31.7732 -6.31861 32.8416 32 45.1315 -5.28826 49.325 15.0159 TIMING: 2551000 CPU: 8063.91, 0.00314857/step Wall: 8063.91, 0.00314857/step, 2.14191 hours remaining, 239.617188 MB of memory in use. ENERGY: 2551000 3944.7474 20463.8462 14442.2192 268.5137 -203593.5408 2961.3299 0.0000 0.0000 52193.3784 -109319.5061 299.9561 -161512.8844 -108950.5471 299.8949 154.0746 185.1656 761705.2802 15.4712 15.3684 PRESSURE: 2551200 -62.2511 82.454 54.1097 82.4546 -447.372 -76.7839 54.1102 -76.784 -211.387 GPRESSURE: 2551200 21.9074 -17.6104 227.803 131.984 -404.708 -88.7992 -132.304 -82.4603 -238.518 PRESSAVG: 2551200 -25.3568 28.1435 -52.8443 28.1435 22.8481 37.8798 -52.8443 37.8798 -8.01995 GPRESSAVG: 2551200 -24.2581 28.5305 -52.2048 26.525 23.2756 38.2781 -53.4083 36.6563 -9.41752 TIMING: 2551200 CPU: 8064.54, 0.00313606/step Wall: 8064.54, 0.00313606/step, 2.13322 hours remaining, 239.617188 MB of memory in use. ENERGY: 2551200 3997.5816 20551.4315 14427.3995 276.3325 -203841.5787 2860.1707 0.0000 0.0000 52219.7118 -109508.9512 300.1074 -161728.6629 -109140.5115 299.6478 -240.3369 -207.1064 762108.1518 -3.5096 -3.4667 PRESSURE: 2551400 -150.547 5.36886 -108.95 5.3685 -246.545 -24.1816 -108.95 -24.1815 -98.0824 GPRESSURE: 2551400 -233.882 -2.49228 -190.342 -20.988 -163.018 -42.5516 -115.055 35.9741 -38.7233 PRESSAVG: 2551400 -31.7424 18.2332 -11.0918 18.2332 52.6812 -7.07652 -11.0918 -7.07654 -13.1803 GPRESSAVG: 2551400 -32.3507 16.7522 -12.5841 19.0782 52.3455 -6.64546 -8.83678 -6.42846 -12.16 TIMING: 2551400 CPU: 8065.16, 0.00314049/step Wall: 8065.16, 0.00314049/step, 2.13606 hours remaining, 239.617188 MB of memory in use. ENERGY: 2551400 3983.6242 20603.2358 14447.6055 251.1385 -203590.9687 2754.5298 0.0000 0.0000 51943.8483 -109606.9867 298.5220 -161550.8350 -109249.1468 298.8496 -165.0580 -145.2080 763238.8645 2.5862 2.6116 PRESSURE: 2551600 350.21 27.6554 -256.097 27.655 -406.361 -139.036 -256.098 -139.036 -264.168 GPRESSURE: 2551600 273.11 -14.2069 -152.486 80.7418 -309.833 -90.9768 -206.186 -75.9577 -226.317 PRESSAVG: 2551600 -37.7626 5.71934 -60.9967 5.71943 54.0842 -30.5406 -60.9967 -30.5406 20.9536 GPRESSAVG: 2551600 -38.7142 6.42483 -59.7853 6.1212 53.9071 -29.7331 -60.8774 -32.2234 21.5504 TIMING: 2551600 CPU: 8065.79, 0.00314749/step Wall: 8065.79, 0.00314749/step, 2.14064 hours remaining, 239.617188 MB of memory in use. ENERGY: 2551600 3984.9868 20450.9774 14362.0599 235.1315 -203653.5153 2677.4397 0.0000 0.0000 52185.8963 -109757.0237 299.9131 -161942.9200 -109390.3735 298.7757 -106.7730 -87.6799 762645.6077 12.4251 12.2478 PRESSURE: 2551800 17.3512 -51.7472 -350.278 -51.7471 -99.8572 113.924 -350.279 113.924 -112.935 GPRESSURE: 2551800 6.94102 -80.5292 -378.708 -82.8888 -25.4273 96.3443 -413.159 139.788 -92.4525 PRESSAVG: 2551800 20.5482 -42.0217 -56.8716 -42.0217 -5.15947 6.85172 -56.8716 6.85165 2.81733 GPRESSAVG: 2551800 20.5888 -43.1616 -55.8911 -42.4717 -4.69463 5.68272 -57.9329 8.65326 2.10535 TIMING: 2551800 CPU: 8066.42, 0.00315443/step Wall: 8066.42, 0.00315443/step, 2.14519 hours remaining, 239.617188 MB of memory in use. ENERGY: 2551800 3997.2971 20379.8452 14399.4346 244.2880 -203408.2347 2389.7681 0.0000 0.0000 52189.0712 -109808.5305 299.9313 -161997.6017 -109441.4325 298.3357 -65.1472 -36.9796 763938.8445 6.0687 5.9998 PRESSURE: 2552000 -63.2105 -20.6356 15.9735 -20.6352 -68.7037 -313.142 15.9749 -313.141 24.2846 GPRESSURE: 2552000 -101.138 -20.4919 -36.9875 -66.6049 21.9262 -309.869 -28.7759 -389.256 72.7296 PRESSAVG: 2552000 -21.3513 -30.62 -21.9185 -30.6201 -34.026 -43.4187 -21.9186 -43.4187 6.50697 GPRESSAVG: 2552000 -20.5696 -28.6932 -22.7877 -31.5895 -35.4764 -43.0936 -22.8733 -42.297 7.03064 TIMING: 2552000 CPU: 8067.06, 0.00315546/step Wall: 8067.06, 0.00315546/step, 2.14572 hours remaining, 239.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2552000 4040.0989 20431.1414 14421.9835 238.9154 -203684.0720 2596.4578 0.0000 0.0000 52165.8722 -109789.6027 299.7980 -161955.4749 -109436.9920 298.0120 -35.8765 -2.1609 762812.9715 -16.2901 -16.3385 PRESSURE: 2552200 -71.1888 -51.1369 65.4239 -51.1376 433.197 -103.17 65.4237 -103.169 -72.2413 GPRESSURE: 2552200 65.7998 -140.797 -2.07441 18.1667 282.128 -32.9791 -40.7472 -13.2092 21.224 PRESSAVG: 2552200 35.4623 -5.95528 8.88471 -5.95532 -15.6703 -50.502 8.8848 -50.502 10.6639 GPRESSAVG: 2552200 35.1376 -7.21792 8.28453 -4.45225 -14.7231 -50.2583 8.50724 -53.0897 9.68901 TIMING: 2552200 CPU: 8067.69, 0.00317166/step Wall: 8067.69, 0.00317166/step, 2.15655 hours remaining, 239.617188 MB of memory in use. ENERGY: 2552200 3908.6944 20561.5635 14490.5427 237.3014 -203833.8925 2725.4918 0.0000 0.0000 52036.6248 -109873.6739 299.0552 -161910.2987 -109506.2957 298.6246 96.5888 123.0506 759596.1653 10.1520 10.0345 LDB: ============= START OF LOAD BALANCING ============== 8080.09 LDB: ============== END OF LOAD BALANCING =============== 8080.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8080.09 LDB: ============= START OF LOAD BALANCING ============== 8080.41 LDB: Largest compute 7058 load 0.035630 is 18.2% of average load 0.195999 LDB: Average compute 0.004391 is 2.2% of average load 0.195999 LDB: TIME 8080.41 LOAD: AVG 0.195999 MAX 0.214549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 8080.41 LOAD: AVG 0.195999 MAX 0.214549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: TIME 8080.41 LOAD: AVG 0.195999 MAX 0.214549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: ============== END OF LOAD BALANCING =============== 8080.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8080.42 PRESSURE: 2552400 31.1998 -109.589 -146.729 -109.59 -213.464 42.508 -146.73 42.5076 -169.71 GPRESSURE: 2552400 36.4476 3.20441 -50.7382 -157.603 -151.506 46.384 10.8448 9.45955 -149.685 PRESSAVG: 2552400 -26.8974 -27.7253 -4.1318 -27.7253 0.346408 -56.1021 -4.13186 -56.1021 18.0445 GPRESSAVG: 2552400 -26.8372 -25.7804 -3.56867 -29.203 0.614043 -56.8162 -3.21258 -54.4712 18.0255 TIMING: 2552400 CPU: 8068.34, 0.00323702/step Wall: 8068.34, 0.00323702/step, 2.20081 hours remaining, 238.265625 MB of memory in use. ENERGY: 2552400 4027.2699 20536.9467 14409.1470 246.8205 -203317.8289 2557.0073 0.0000 0.0000 52052.6708 -109487.9666 299.1474 -161540.6374 -109118.4382 299.1358 -117.3248 -88.2481 762155.7080 -2.8355 -2.7325 PRESSURE: 2552600 -71.5491 170.217 -88.6204 170.217 145.447 -161.915 -88.6209 -161.917 -419.849 GPRESSURE: 2552600 8.0114 2.0952 -75.6327 120.541 139.539 -138.57 -120.994 -110.006 -404.963 PRESSAVG: 2552600 30.1937 -3.40422 -19.9333 -3.40425 -1.53542 -18.7523 -19.9334 -18.7523 -7.42778 GPRESSAVG: 2552600 30.4176 -3.5109 -18.038 -3.55623 -1.70313 -17.7543 -19.9708 -19.6157 -7.41163 TIMING: 2552600 CPU: 8068.97, 0.00315918/step Wall: 8068.97, 0.00315918/step, 2.14771 hours remaining, 238.265625 MB of memory in use. ENERGY: 2552600 3971.4533 20582.6857 14385.5262 238.0441 -203521.8165 2641.5574 0.0000 0.0000 51936.5380 -109766.0118 298.4800 -161702.5499 -109416.2144 299.0620 -115.3170 -85.8041 760922.3019 7.0768 7.1009 PRESSURE: 2552800 -44.4437 198.804 -224.853 198.803 -57.5381 -98.4232 -224.852 -98.4231 691.567 GPRESSURE: 2552800 44.9752 239.192 -189.486 137.412 -36.8867 -145.845 -345.27 -57.0301 667.337 PRESSAVG: 2552800 -36.9541 2.00295 33.5609 2.0029 18.6177 15.8021 33.5608 15.8021 2.31312 GPRESSAVG: 2552800 -37.0554 -0.854595 32.6571 3.61984 19.0359 14.6321 34.1981 13.1957 2.385 TIMING: 2552800 CPU: 8069.6, 0.00314529/step Wall: 8069.6, 0.00314529/step, 2.1381 hours remaining, 238.265625 MB of memory in use. ENERGY: 2552800 4003.0485 20549.9893 14443.2057 235.9969 -203863.0983 2857.2345 0.0000 0.0000 52142.7086 -109630.9147 299.6649 -161773.6233 -109273.8762 299.2243 196.5285 225.1417 760446.9164 -5.3411 -5.2115 PRESSURE: 2553000 191.308 19.7255 -64.2696 19.7259 -85.6764 -106.297 -64.2693 -106.297 -159.779 GPRESSURE: 2553000 170.873 98.0024 -175.434 132.658 -39.5144 33.0135 -43.9091 -133.841 -110.332 PRESSAVG: 2553000 -11.3524 32.1813 -5.66167 32.1812 5.95336 -20.0932 -5.6617 -20.0932 0.733102 GPRESSAVG: 2553000 -12.1614 35.8742 -5.81963 29.3215 6.12098 -18.6251 -6.88358 -16.0525 1.30929 TIMING: 2553000 CPU: 8070.23, 0.00313593/step Wall: 8070.23, 0.00313593/step, 2.13156 hours remaining, 238.265625 MB of memory in use. ENERGY: 2553000 4021.5298 20385.2202 14538.1884 238.6949 -203411.5710 2692.8597 0.0000 0.0000 51893.4264 -109641.6516 298.2322 -161535.0780 -109287.6076 299.0114 -18.0491 7.0091 761078.5505 -1.5553 -1.5771 PRESSURE: 2553200 -107.282 152.012 -26.6875 152.011 -26.1314 0.232498 -26.6879 0.233753 149.069 GPRESSURE: 2553200 -89.5121 312.016 -17.3275 186.171 63.4384 58.1613 -212.775 -23.027 132.317 PRESSAVG: 2553200 -1.56841 -10.4075 3.11137 -10.4074 -19.981 -1.89326 3.11135 -1.89324 4.20259 GPRESSAVG: 2553200 -1.37264 -11.1788 3.59724 -8.33055 -19.6771 -1.95127 2.84817 -4.80294 3.027 TIMING: 2553200 CPU: 8070.86, 0.00315682/step Wall: 8070.86, 0.00315682/step, 2.14559 hours remaining, 238.265625 MB of memory in use. ENERGY: 2553200 4012.4713 20534.8640 14482.3700 245.2897 -203897.1882 2712.9666 0.0000 0.0000 51987.9685 -109921.2581 298.7756 -161909.2266 -109554.7911 299.0831 5.2185 35.4143 760620.9661 -5.7823 -6.0076 PRESSURE: 2553400 192.218 -56.6574 74.7121 -56.6577 22.8566 -128.825 74.7121 -128.825 196.481 GPRESSURE: 2553400 195.316 5.91018 99.6891 -111.477 119.337 -96.8045 157.391 -165.541 178.386 PRESSAVG: 2553400 30.6657 -1.07414 18.9078 -1.07414 -60.6846 37.4646 18.9078 37.4646 -16.8176 GPRESSAVG: 2553400 29.3039 -0.105132 19.8993 -2.85775 -60.6663 36.8079 18.5995 38.3981 -15.1506 TIMING: 2553400 CPU: 8071.49, 0.0031527/step Wall: 8071.49, 0.0031527/step, 2.14261 hours remaining, 238.265625 MB of memory in use. ENERGY: 2553400 4020.8968 20470.2839 14384.4995 222.3396 -203688.7878 2659.5368 0.0000 0.0000 51861.1325 -110070.0986 298.0466 -161931.2311 -109705.0455 298.3118 137.1854 164.3463 761423.7804 -15.6122 -15.5043 PRESSURE: 2553600 -104.242 30.902 -252.612 30.9029 -368.674 20.9808 -252.612 20.9811 -478.706 GPRESSURE: 2553600 -25.9752 -4.33933 -273.293 79.2649 -356.512 -69.8802 -340.973 36.8182 -453.123 PRESSAVG: 2553600 3.58878 -3.07613 -1.13969 -3.07607 -21.8543 14.973 -1.13967 14.973 8.90894 GPRESSAVG: 2553600 5.4017 -3.3909 -3.14661 -2.53211 -22.8791 12.6218 -2.55108 15.8747 8.01674 TIMING: 2553600 CPU: 8072.12, 0.00314204/step Wall: 8072.12, 0.00314204/step, 2.13519 hours remaining, 238.265625 MB of memory in use. ENERGY: 2553600 4004.9725 20560.2159 14469.2530 241.6736 -203312.1721 2460.3729 0.0000 0.0000 51644.5736 -109931.1106 296.8021 -161575.6842 -109562.9770 298.2015 -317.2074 -278.5367 762054.7407 -3.1189 -3.1536 PRESSURE: 2553800 -131.287 -119.831 -212.807 -119.831 -231.46 122.867 -212.807 122.868 133.795 GPRESSURE: 2553800 -140.76 27.6304 -317.94 -58.49 -154.707 159.058 -63.2619 158.583 167.124 PRESSAVG: 2553800 -5.9545 12.0588 -30.1974 12.0589 -42.9122 19.7436 -30.1974 19.7435 1.90346 GPRESSAVG: 2553800 -5.59894 11.3414 -30.5537 11.6873 -42.2253 22.7621 -28.102 20.389 1.11225 TIMING: 2553800 CPU: 8072.75, 0.00315122/step Wall: 8072.75, 0.00315122/step, 2.14125 hours remaining, 238.265625 MB of memory in use. ENERGY: 2553800 4045.1985 20569.2113 14425.7315 237.6028 -203511.2305 2602.3232 0.0000 0.0000 52004.9696 -109626.1934 298.8733 -161631.1631 -109277.4322 298.6473 -76.3173 -42.7809 761968.2269 -15.6544 -15.5707 PRESSURE: 2554000 -287.588 -66.4777 -46.3127 -66.4775 128.664 109.15 -46.3116 109.15 -204.204 GPRESSURE: 2554000 -238.844 -33.474 -47.1194 -35.6463 156.861 228.19 -26.6366 146.912 -207.18 PRESSAVG: 2554000 26.1552 22.2659 -20.3039 22.2659 22.8096 12.39 -20.3039 12.39 -3.59269 GPRESSAVG: 2554000 26.4214 21.5262 -17.8407 25.012 21.6585 12.3413 -22.1238 10.8056 -2.67309 TIMING: 2554000 CPU: 8073.38, 0.00315326/step Wall: 8073.38, 0.00315326/step, 2.14247 hours remaining, 238.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2554000 4012.8337 20519.8100 14478.3377 262.7730 -203420.6315 2459.1441 0.0000 0.0000 52047.8817 -109639.8514 299.1199 -161687.7331 -109286.8195 298.6049 -121.0427 -96.3874 759498.4055 15.1240 15.1356 PRESSURE: 2554200 -40.4508 -37.7587 67.058 -37.7588 6.0144 85.3528 67.0583 85.3522 626.493 GPRESSURE: 2554200 -74.1996 -33.8127 5.37443 9.12573 116.496 95.4657 111.711 32.4802 622.977 PRESSAVG: 2554200 -42.071 -14.8077 19.157 -14.8076 38.9552 18.5765 19.157 18.5765 17.4253 GPRESSAVG: 2554200 -42.3788 -13.3099 16.8782 -16.8884 39.9687 16.3987 21.9975 19.7015 17.1146 TIMING: 2554200 CPU: 8074, 0.00313056/step Wall: 8074, 0.00313056/step, 2.12687 hours remaining, 238.265625 MB of memory in use. ENERGY: 2554200 3916.7670 20624.7152 14461.9821 242.6248 -203740.3772 2737.0954 0.0000 0.0000 52028.1441 -109729.0485 299.0065 -161757.1926 -109361.3182 299.0196 197.3522 221.7576 759474.3586 4.7699 4.9015 PRESSURE: 2554400 -314.36 48.2355 159.346 48.2351 -359.93 -91.8645 159.347 -91.8648 -268.804 GPRESSURE: 2554400 -320.132 55.4183 158.039 -6.15296 -270.297 -115.823 62.1418 -76.4726 -272.004 PRESSAVG: 2554400 -37.9677 -30.9747 -55.8626 -30.9748 3.21338 19.6382 -55.8626 19.6382 -6.23645 GPRESSAVG: 2554400 -37.6993 -30.6598 -56.2838 -31.1353 2.81292 19.965 -56.8183 17.0725 -6.38784 TIMING: 2554400 CPU: 8074.63, 0.00314391/step Wall: 8074.63, 0.00314391/step, 2.13576 hours remaining, 238.265625 MB of memory in use. ENERGY: 2554400 4037.7961 20444.9336 14378.2856 244.1032 -203016.6264 2310.5244 0.0000 0.0000 51926.5793 -109674.4042 298.4228 -161600.9835 -109297.8705 298.6741 -314.3645 -287.4779 761685.5639 -13.6636 -13.7581 PRESSURE: 2554600 104.57 10.9039 16.4371 10.9033 382.51 13.2508 16.4365 13.2515 -53.5447 GPRESSURE: 2554600 161.306 -18.7084 54.0202 -52.7146 323.089 -41.3566 162.37 194.463 32.4963 PRESSAVG: 2554600 -30.5923 -35.8439 1.4163 -35.8439 -19.1765 33.46 1.41635 33.4601 -1.71502 GPRESSAVG: 2554600 -30.5681 -36.9153 2.21679 -34.3751 -19.8516 32.2961 2.72774 39.1931 -0.870559 TIMING: 2554600 CPU: 8075.26, 0.00316306/step Wall: 8075.26, 0.00316306/step, 2.1486 hours remaining, 238.265625 MB of memory in use. ENERGY: 2554600 3987.8169 20606.2004 14440.4740 231.0727 -203639.2752 2848.3229 0.0000 0.0000 51769.4175 -109755.9708 297.5196 -161525.3883 -109394.4585 298.4927 144.5116 172.2972 761097.2538 -17.1613 -17.0967 PRESSURE: 2554800 556.078 11.8216 -80.4019 11.8215 279.453 -118.872 -80.4019 -118.872 202.638 GPRESSURE: 2554800 568.071 -73.2807 -39.4515 -126.41 262.533 -112.632 -60.2138 -190.337 277.297 PRESSAVG: 2554800 -4.83271 -67.4127 6.54246 -67.4125 39.2876 14.3776 6.54245 14.3776 -2.22882 GPRESSAVG: 2554800 -4.66716 -68.2498 7.08776 -69.0511 41.1072 15.6387 5.41133 10.5337 -4.43844 TIMING: 2554800 CPU: 8075.89, 0.00314307/step Wall: 8075.89, 0.00314307/step, 2.13485 hours remaining, 238.265625 MB of memory in use. ENERGY: 2554800 4040.1862 20624.2855 14445.2795 253.2690 -204212.0502 3104.8199 0.0000 0.0000 51914.4968 -109829.7134 298.3533 -161744.2102 -109469.9668 298.8904 346.0561 369.3003 758363.1897 10.7420 10.6672 PRESSURE: 2555000 81.8719 149.48 204.653 149.481 69.2857 -81.6555 204.652 -81.6564 223.734 GPRESSURE: 2555000 111.549 80.1191 221.382 186.052 200.848 -53.2307 154.818 -16.6257 127.46 PRESSAVG: 2555000 15.6434 -60.4086 -44.4539 -60.4086 -31.956 10.4569 -44.4539 10.4568 29.5159 GPRESSAVG: 2555000 14.4364 -59.8784 -44.7794 -59.4425 -31.41 11.4929 -45.7671 9.96232 30.3378 TIMING: 2555000 CPU: 8076.52, 0.00313836/step Wall: 8076.52, 0.00313836/step, 2.13147 hours remaining, 238.265625 MB of memory in use. ENERGY: 2555000 4075.6785 20429.3206 14507.9010 256.9030 -203666.9176 2381.0257 0.0000 0.0000 52086.2065 -109929.8823 299.3401 -162016.0888 -109570.9580 298.6220 124.9640 146.6190 759807.3756 4.4011 4.4547 PRESSURE: 2555200 122.254 -141.726 144.072 -141.726 -89.6145 275.917 144.071 275.917 184.648 GPRESSURE: 2555200 127.668 -114.792 232.84 -215.507 6.9773 153.604 124.544 292.947 177.385 PRESSAVG: 2555200 -8.39616 -6.65508 -31.2897 -6.65511 13.9699 -13.3587 -31.2897 -13.3587 5.26592 GPRESSAVG: 2555200 -8.46891 -7.8018 -30.8477 -6.8545 12.2066 -16.0865 -31.3207 -12.3925 6.54244 TIMING: 2555200 CPU: 8077.15, 0.00313306/step Wall: 8077.15, 0.00313306/step, 2.1277 hours remaining, 238.265625 MB of memory in use. ENERGY: 2555200 4022.4911 20435.7336 14478.5266 257.9701 -203511.9543 2883.2026 0.0000 0.0000 51610.5048 -109823.5256 296.6063 -161434.0303 -109466.0547 297.9286 72.4292 104.0101 763664.4235 3.6132 3.4267 PRESSURE: 2555400 -76.4912 -80.8287 -250.221 -80.8293 404.868 9.88494 -250.222 9.8859 273.385 GPRESSURE: 2555400 3.12778 -85.3564 -198.998 -132.333 444.536 -58.0259 -122.389 -77.7071 241.586 PRESSAVG: 2555400 -32.9285 -99.4201 2.59504 -99.4202 -9.0008 -6.59091 2.59504 -6.59103 3.08072 GPRESSAVG: 2555400 -31.3782 -96.6302 0.322107 -100.906 -9.29125 -4.90482 4.58102 -7.09415 2.34308 TIMING: 2555400 CPU: 8077.78, 0.00315178/step Wall: 8077.78, 0.00315178/step, 2.14023 hours remaining, 238.265625 MB of memory in use. ENERGY: 2555400 3946.4177 20435.9176 14452.3047 234.7357 -204094.8997 3008.6210 0.0000 0.0000 52144.4138 -109872.4892 299.6747 -162016.9030 -109514.0531 298.4397 200.5873 229.7499 760990.9175 -12.9495 -12.7755 PRESSURE: 2555600 172.5 176.236 170.778 176.235 457.629 -96.5689 170.778 -96.5687 357.73 GPRESSURE: 2555600 271.052 152.63 115.831 103.797 413.561 -43.2653 104.852 -128.993 384.554 PRESSAVG: 2555600 -27.9462 -54.4697 10.9976 -54.4697 22.8564 33.9677 10.9976 33.9676 -19.3553 GPRESSAVG: 2555600 -28.4425 -54.8185 11.4151 -53.9935 23.3342 34.2964 9.70651 32.5532 -19.7299 TIMING: 2555600 CPU: 8078.41, 0.00315195/step Wall: 8078.41, 0.00315195/step, 2.14017 hours remaining, 238.265625 MB of memory in use. ENERGY: 2555600 3869.5470 20485.3739 14473.4004 225.0723 -203925.1875 2836.9285 0.0000 0.0000 52183.8157 -109851.0497 299.9011 -162034.8654 -109485.0291 298.3428 329.2863 356.3889 760676.0557 -8.1484 -8.2794 PRESSURE: 2555800 208.561 -3.08741 56.1793 -3.08778 -431.395 -39.5068 56.1803 -39.5056 431.556 GPRESSURE: 2555800 183.612 -46.0927 46.0908 -87.8209 -272.885 -35.6027 113.107 20.1776 357.962 PRESSAVG: 2555800 -36.4309 -51.4183 32.5383 -51.4182 79.809 23.5663 32.5384 23.5664 12.046 GPRESSAVG: 2555800 -37.8877 -52.1208 32.4531 -52.7437 80.608 22.8 35.1778 25.9432 12.5992 TIMING: 2555800 CPU: 8079.04, 0.00315549/step Wall: 8079.04, 0.00315549/step, 2.1424 hours remaining, 238.265625 MB of memory in use. ENERGY: 2555800 3853.5789 20390.3410 14468.1553 268.2040 -203290.9193 2474.1357 0.0000 0.0000 52223.5214 -109612.9829 300.1293 -161836.5043 -109249.4033 298.7906 69.5740 89.5629 763856.5569 18.4747 18.4398 PRESSURE: 2556000 -434.527 -112.558 149.181 -112.559 -129.487 -214.102 149.181 -214.102 221.418 GPRESSURE: 2556000 -288.95 -145.253 195.105 68.8639 -131.87 -229.593 -15.4848 -169.006 151.273 PRESSAVG: 2556000 -10.3172 -28.9202 6.38931 -28.9202 -14.8834 -34.7839 6.38931 -34.7839 18.9698 GPRESSAVG: 2556000 -8.62565 -30.475 7.74263 -26.6893 -17.0597 -33.9458 2.44376 -35.3985 18.7588 TIMING: 2556000 CPU: 8079.67, 0.00314341/step Wall: 8079.67, 0.00314341/step, 2.13403 hours remaining, 238.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2556000 3946.0531 20455.0030 14453.7281 248.7822 -203342.5297 2581.3640 0.0000 0.0000 51831.4550 -109826.1444 297.8761 -161657.5994 -109458.9778 298.1443 -114.1987 -89.8491 761569.9259 -2.0769 -2.3089 PRESSURE: 2556200 -105.32 -66.1387 18.6973 -66.1392 5.35206 114.572 18.6976 114.572 153.091 GPRESSURE: 2556200 -103.625 102.209 -40.6098 -82.453 68.7896 -24.0034 101.621 172.332 183.008 PRESSAVG: 2556200 19.8398 -35.2927 -15.2168 -35.2927 -7.12244 8.74948 -15.2168 8.74943 -7.52037 GPRESSAVG: 2556200 20.632 -33.6178 -16.8785 -36.2492 -7.45271 7.74579 -13.8544 7.59842 -7.71161 TIMING: 2556200 CPU: 8080.3, 0.00315427/step Wall: 8080.3, 0.00315427/step, 2.14122 hours remaining, 238.265625 MB of memory in use. ENERGY: 2556200 4055.9351 20465.2587 14464.9643 243.5442 -203768.4264 2799.5009 0.0000 0.0000 52141.7924 -109597.4307 299.6596 -161739.2231 -109242.2507 298.1092 17.7076 49.3910 761717.8492 1.7323 1.8226 LDB: ============= START OF LOAD BALANCING ============== 8092.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8092.7 LDB: =============== DONE WITH MIGRATION ================ 8092.7 LDB: ============= START OF LOAD BALANCING ============== 8093.01 LDB: Largest compute 7059 load 0.034271 is 17.5% of average load 0.195873 LDB: Average compute 0.004396 is 2.2% of average load 0.195873 LDB: TIME 8093.02 LOAD: AVG 0.195873 MAX 0.214862 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.266 MB LDB: TIME 8093.02 LOAD: AVG 0.195873 MAX 0.214862 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.266 MB LDB: TIME 8093.02 LOAD: AVG 0.195873 MAX 0.214862 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.266 MB LDB: ============== END OF LOAD BALANCING =============== 8093.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8093.03 PRESSURE: 2556400 -169.791 -21.4945 -22.5782 -21.4949 -302.214 189.303 -22.5782 189.303 -541.686 GPRESSURE: 2556400 -115.14 -40.1661 -26.7014 -68.2594 -275.397 207.511 -54.128 185.212 -513.761 PRESSAVG: 2556400 -33.0344 -62.8566 -13.1473 -62.8566 24.258 -16.0583 -13.1474 -16.0582 4.25881 GPRESSAVG: 2556400 -34.0878 -62.6215 -14.0564 -62.719 24.7722 -14.4131 -12.1701 -17.1158 5.18764 TIMING: 2556400 CPU: 8080.94, 0.00321979/step Wall: 8080.94, 0.00321979/step, 2.18552 hours remaining, 238.414062 MB of memory in use. ENERGY: 2556400 4060.9343 20199.7201 14461.7239 252.2479 -203342.2169 2575.3659 0.0000 0.0000 51949.0415 -109843.1834 298.5519 -161792.2248 -109480.3882 298.7928 -337.8970 -301.4328 762358.5854 -1.5059 -1.3760 PRESSURE: 2556600 -365.427 -160.658 -27.7253 -160.657 184.273 -118.675 -27.7261 -118.676 -505.607 GPRESSURE: 2556600 -255.897 -50.1916 53.8492 -48.5061 109.599 -160.47 -81.5428 -101.465 -476.303 PRESSAVG: 2556600 -34.6605 -58.3499 2.42343 -58.3499 40.1594 47.1693 2.4234 47.1694 2.80277 GPRESSAVG: 2556600 -34.2786 -59.8964 4.32552 -57.6528 40.4578 45.4051 2.57485 48.5449 2.14048 TIMING: 2556600 CPU: 8081.57, 0.0031486/step Wall: 8081.57, 0.0031486/step, 2.13703 hours remaining, 238.414062 MB of memory in use. ENERGY: 2556600 4046.3108 20544.5779 14400.3064 239.2942 -203718.8226 2536.7815 0.0000 0.0000 52103.0294 -109848.5223 299.4368 -161951.5518 -109484.5999 298.8454 -228.9202 -207.5338 761837.3428 2.7672 2.7732 PRESSURE: 2556800 106.009 9.59568 165.013 9.59497 198.939 53.1946 165.013 53.193 117.296 GPRESSURE: 2556800 173.242 -114.855 62.9693 35.0907 210.139 92.581 120.131 57.0345 144.959 PRESSAVG: 2556800 9.80821 -31.6038 40.127 -31.6038 -26.8262 18.668 40.127 18.6679 -2.92869 GPRESSAVG: 2556800 9.31338 -30.513 37.5144 -30.581 -26.0676 19.6854 40.2831 18.5076 -2.25775 TIMING: 2556800 CPU: 8082.2, 0.00313813/step Wall: 8082.2, 0.00313813/step, 2.12975 hours remaining, 238.414062 MB of memory in use. ENERGY: 2556800 3966.9215 20503.2738 14470.2837 248.2186 -203831.8702 2692.2644 0.0000 0.0000 52094.6526 -109856.2557 299.3887 -161950.9082 -109495.4924 298.7361 140.7478 176.1135 760472.2899 -6.6489 -6.3373 PRESSURE: 2557000 -127.643 -82.8972 49.9819 -82.8969 -141.852 -26.8991 49.9827 -26.8992 202.874 GPRESSURE: 2557000 -125.068 -96.3373 1.04209 -159.019 -46.5698 37.2986 85.6855 -74.5277 173.988 PRESSAVG: 2557000 -3.02246 -34.3076 -18.2653 -34.3076 16.2481 0.573997 -18.2653 0.574035 -18.2299 GPRESSAVG: 2557000 -2.86094 -33.8354 -16.8467 -38.1981 16.7159 1.21276 -17.9685 -1.40487 -19.3294 TIMING: 2557000 CPU: 8082.83, 0.00315422/step Wall: 8082.83, 0.00315422/step, 2.14049 hours remaining, 238.414062 MB of memory in use. ENERGY: 2557000 4006.7149 20269.0165 14443.6012 239.5858 -203325.7114 2700.8149 0.0000 0.0000 51958.8600 -109707.1182 298.6083 -161665.9782 -109338.7215 298.1143 -22.2069 0.7835 762720.4859 -1.6681 -1.8248 PRESSURE: 2557200 373.761 -93.8517 -355.701 -93.8517 -366.82 -154.828 -355.701 -154.827 -85.3637 GPRESSURE: 2557200 382.925 -143.548 -333.695 -273.45 -278.062 -82.9176 -230.665 -22.5683 -93.9923 PRESSAVG: 2557200 15.5461 -60.8437 0.45596 -60.8437 -35.0857 25.2965 0.455986 25.2964 -5.72073 GPRESSAVG: 2557200 16.3122 -62.4739 -0.367203 -57.6651 -35.7796 24.6375 1.27157 27.352 -5.38758 TIMING: 2557200 CPU: 8083.46, 0.00314251/step Wall: 8083.46, 0.00314251/step, 2.13237 hours remaining, 238.414062 MB of memory in use. ENERGY: 2557200 3971.3835 20377.1720 14454.6269 252.4168 -203598.6358 2726.5259 0.0000 0.0000 52146.5939 -109669.9168 299.6872 -161816.5107 -109312.1624 298.6185 -26.1407 3.6237 761381.7978 -8.4201 -8.2850 PRESSURE: 2557400 -172.476 -112.87 -104.185 -112.869 145.804 240.36 -104.185 240.359 -14.8171 GPRESSURE: 2557400 -135.97 -136.24 -71.3744 -143.525 136.341 189.552 -117.971 244.783 33.3485 PRESSAVG: 2557400 21.0983 -43.0674 -20.7198 -43.0674 -5.0887 -20.2515 -20.7198 -20.2515 21.6077 GPRESSAVG: 2557400 20.587 -40.9124 -18.8221 -43.5595 -5.33306 -20.3167 -23.7847 -20.5482 22.3908 TIMING: 2557400 CPU: 8084.09, 0.00314414/step Wall: 8084.09, 0.00314414/step, 2.1333 hours remaining, 238.414062 MB of memory in use. ENERGY: 2557400 3999.6698 20440.6379 14475.1285 244.4866 -203091.4922 2390.4444 0.0000 0.0000 51778.5859 -109762.5390 297.5722 -161541.1249 -109398.9890 298.5039 -13.8294 11.2397 760597.2033 12.5391 12.5482 PRESSURE: 2557600 86.2647 -38.6734 33.7103 -38.6733 288.017 -5.1279 33.7094 -5.12788 108.692 GPRESSURE: 2557600 150.689 -81.9092 4.14722 85.5411 280.799 -2.85325 -0.975041 -16.4605 155.772 PRESSAVG: 2557600 4.9635 -85.3099 -40.6257 -85.3099 8.088 -6.61453 -40.6257 -6.61454 4.53551 GPRESSAVG: 2557600 5.49362 -88.89 -40.7429 -84.2717 9.12975 -6.43697 -40.132 -7.94801 2.93141 TIMING: 2557600 CPU: 8084.72, 0.00315981/step Wall: 8084.72, 0.00315981/step, 2.14376 hours remaining, 238.414062 MB of memory in use. ENERGY: 2557600 3918.4856 20368.4540 14499.6867 254.0098 -203042.4961 2384.7849 0.0000 0.0000 51989.0367 -109628.0383 298.7817 -161617.0750 -109269.3036 299.0663 160.9915 195.7535 760299.0799 5.8623 5.8516 PRESSURE: 2557800 -88.5599 -274.09 -70.5489 -274.09 -339.867 67.8966 -70.5482 67.8966 -364.359 GPRESSURE: 2557800 -132.767 -145.955 -37.6988 -382.732 -240.952 88.1392 -31.3825 96.0899 -334.976 PRESSAVG: 2557800 -36.06 -127.617 -48.5986 -127.617 16.293 5.61024 -48.5986 5.61029 3.79353 GPRESSAVG: 2557800 -36.4317 -125.454 -47.9983 -128.72 15.1991 3.49293 -47.1386 8.07752 4.90876 TIMING: 2557800 CPU: 8085.35, 0.00315154/step Wall: 8085.35, 0.00315153/step, 2.13797 hours remaining, 238.414062 MB of memory in use. ENERGY: 2557800 3977.9266 20310.5803 14345.7033 240.2205 -203113.3631 2245.2838 0.0000 0.0000 52185.5731 -109808.0755 299.9112 -161993.6486 -109439.4153 298.4669 -264.2617 -236.2317 761705.8538 -5.3245 -5.4413 PRESSURE: 2558000 -61.4585 16.0838 -58.4191 16.0842 373.656 -177.214 -58.4187 -177.214 461.346 GPRESSURE: 2558000 124.46 1.79606 -6.00951 -5.19209 352.01 -175.535 -11.4578 -164.033 376.401 PRESSAVG: 2558000 19.6984 -53.1426 -49.3498 -53.1426 23.0271 5.70783 -49.3498 5.70787 5.05118 GPRESSAVG: 2558000 20.5419 -53.905 -50.3235 -52.7659 23.4146 6.86906 -50.5771 4.9081 3.74777 TIMING: 2558000 CPU: 8085.98, 0.00313077/step Wall: 8085.98, 0.00313077/step, 2.12371 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2558000 3933.7604 20441.8576 14448.9475 244.6733 -203364.5766 2639.2767 0.0000 0.0000 51838.9549 -109817.1062 297.9192 -161656.0611 -109451.4387 298.8113 257.8479 284.2904 760045.4484 15.9255 15.9014 PRESSURE: 2558200 -38.2212 -74.3499 -61.6099 -74.3481 1.52652 1.79934 -61.6092 1.79975 -374.727 GPRESSURE: 2558200 47.2324 -96.8892 -36.2726 -92.1831 -11.9855 11.6463 -111.826 85.3855 -352.569 PRESSAVG: 2558200 60.2659 -40.392 -62.6277 -40.392 -16.4684 -32.9418 -62.6276 -32.9418 1.65632 GPRESSAVG: 2558200 59.5046 -41.2858 -62.9833 -41.0158 -17.6257 -32.33 -62.7661 -32.961 3.72295 TIMING: 2558200 CPU: 8086.61, 0.00317368/step Wall: 8086.61, 0.00317368/step, 2.15263 hours remaining, 238.414062 MB of memory in use. ENERGY: 2558200 3978.6527 20339.3573 14434.9763 256.2127 -203570.3273 2577.8062 0.0000 0.0000 51883.1071 -110100.2150 298.1729 -161983.3221 -109736.7092 298.0820 -137.1406 -105.7739 760100.4967 15.1513 15.2006 PRESSURE: 2558400 -181.049 -63.2172 43.2026 -63.2168 -178.135 -138.344 43.2023 -138.343 -281.105 GPRESSURE: 2558400 -85.2691 -129.727 -28.5204 -52.236 -157.549 -136.47 103.647 -234.566 -312.2 PRESSAVG: 2558400 -37.4557 -50.3753 -52.8351 -50.3753 10.2251 2.60748 -52.835 2.6075 -2.56477 GPRESSAVG: 2558400 -36.8333 -49.8246 -52.6501 -48.3153 9.98224 2.48545 -53.0081 1.73645 -3.0834 TIMING: 2558400 CPU: 8087.24, 0.00316601/step Wall: 8087.24, 0.003166/step, 2.14725 hours remaining, 238.414062 MB of memory in use. ENERGY: 2558400 4062.7918 20470.5718 14450.6635 219.0274 -203252.7999 2272.7706 0.0000 0.0000 51863.9708 -109913.0040 298.0630 -161776.9748 -109555.4407 298.3923 -213.4297 -185.0058 759521.1849 -9.9318 -9.9782 PRESSURE: 2558600 169.745 129.257 52.4931 129.257 117.186 121.05 52.4921 121.051 -49.1806 GPRESSURE: 2558600 179.434 42.0346 118.587 119.662 208.725 39.0635 0.296613 35.2277 -51.6195 PRESSAVG: 2558600 5.1117 -32.8073 -48.8035 -32.8074 1.12331 -37.5588 -48.8034 -37.5587 22.0644 GPRESSAVG: 2558600 4.28712 -33.9034 -47.455 -34.5648 1.91587 -38.5797 -48.1266 -35.8676 22.105 TIMING: 2558600 CPU: 8087.88, 0.00318753/step Wall: 8087.88, 0.00318753/step, 2.16168 hours remaining, 238.414062 MB of memory in use. ENERGY: 2558600 3951.4922 20436.6177 14452.2968 257.8634 -203395.7863 2242.0278 0.0000 0.0000 52130.4123 -109925.0761 299.5942 -162055.4884 -109569.1443 298.4163 79.2502 112.1797 760359.5055 9.4331 9.4360 PRESSURE: 2558800 -406.185 71.2733 -204.165 71.2723 -3.97742 -1.35411 -204.166 -1.35451 -18.5377 GPRESSURE: 2558800 -379.419 156.909 -163.171 0.682239 70.398 -44.7698 -238.146 66.194 -23.205 PRESSAVG: 2558800 -43.0057 2.37564 -70.8625 2.37562 43.6399 3.25198 -70.8626 3.25207 10.2907 GPRESSAVG: 2558800 -44.343 3.91689 -73.0923 2.07984 43.9419 4.24285 -72.3428 3.46472 11.1495 TIMING: 2558800 CPU: 8088.51, 0.0031467/step Wall: 8088.51, 0.0031467/step, 2.13381 hours remaining, 238.414062 MB of memory in use. ENERGY: 2558800 4035.8140 20495.6052 14534.6248 243.0198 -203299.4247 2262.1943 0.0000 0.0000 52014.5457 -109713.6209 298.9283 -161728.1666 -109354.2218 299.2664 -142.9001 -110.7419 759273.9604 3.6416 3.5828 PRESSURE: 2559000 -383.252 94.5043 34.7289 94.5044 -0.607854 23.3401 34.7296 23.3399 242.304 GPRESSURE: 2559000 -407.584 134.517 -25.5691 31.2308 42.6086 70.7909 90.6382 15.8821 316.562 PRESSAVG: 2559000 -51.8317 21.0144 -15.519 21.0144 40.6781 42.4765 -15.519 42.4765 -4.78793 GPRESSAVG: 2559000 -50.3614 21.3339 -14.6176 20.2467 39.5262 43.0088 -13.8395 41.5477 -4.87873 TIMING: 2559000 CPU: 8089.14, 0.00313779/step Wall: 8089.14, 0.00313779/step, 2.1276 hours remaining, 238.414062 MB of memory in use. ENERGY: 2559000 3986.4272 20487.2936 14524.8221 292.7354 -203698.5383 2682.2462 0.0000 0.0000 51973.0481 -109751.9657 298.6898 -161725.0138 -109396.1146 298.7270 -47.1851 -16.1380 759584.2623 -5.3139 -5.2380 PRESSURE: 2559200 -49.856 -145.139 71.9633 -145.139 -131.095 44.8804 71.9629 44.8799 8.17125 GPRESSURE: 2559200 33.0381 -120.78 29.4074 -99.5268 -59.1165 45.6597 185.998 -92.1278 -61.3083 PRESSAVG: 2559200 48.1372 -33.7592 13.2865 -33.7591 -8.02719 10.5374 13.2866 10.5375 3.32061 GPRESSAVG: 2559200 48.4677 -35.7048 13.1905 -31.0138 -7.30328 9.56586 14.6108 6.7684 2.5216 TIMING: 2559200 CPU: 8089.77, 0.00314397/step Wall: 8089.77, 0.00314397/step, 2.13161 hours remaining, 238.414062 MB of memory in use. ENERGY: 2559200 3968.0410 20363.0248 14503.4476 263.1684 -203402.7332 2476.4713 0.0000 0.0000 52065.1699 -109763.4102 299.2192 -161828.5801 -109392.8389 299.2898 -57.5934 -29.1289 760728.4890 14.4769 14.5620 PRESSURE: 2559400 -227.231 -131.405 -20.594 -131.405 -169.492 39.6103 -20.5941 39.6096 -61.221 GPRESSURE: 2559400 -148.771 -57.7157 80.7639 -133.153 -195.866 61.8996 -32.6803 112.773 -30.9845 PRESSAVG: 2559400 3.22697 -25.4976 -4.87995 -25.4976 -21.5374 46.4573 -4.87998 46.4573 11.8147 GPRESSAVG: 2559400 3.64951 -22.0329 -3.89323 -26.2411 -22.087 46.1109 -7.19844 51.1558 11.6756 TIMING: 2559400 CPU: 8090.4, 0.00316423/step Wall: 8090.4, 0.00316423/step, 2.14517 hours remaining, 238.414062 MB of memory in use. ENERGY: 2559400 3932.9204 20558.0450 14474.3490 230.9372 -203494.7847 2425.8079 0.0000 0.0000 52289.8325 -109582.8926 300.5104 -161872.7251 -109227.5225 299.2983 -152.6477 -125.2071 760620.5389 -2.1652 -2.2540 PRESSURE: 2559600 52.9102 -193.995 47.7586 -193.995 -435.611 -5.38434 47.7572 -5.38377 73.6094 GPRESSURE: 2559600 -41.4408 -137.587 65.1023 -89.454 -364.585 4.01585 78.709 -30.6895 158.999 PRESSAVG: 2559600 38.4516 -44.9527 -20.2589 -44.9528 -53.6251 2.66694 -20.2589 2.66695 -35.1299 GPRESSAVG: 2559600 38.2625 -47.2573 -19.8165 -45.0318 -53.6657 3.2361 -19.9464 0.709945 -35.0148 TIMING: 2559600 CPU: 8091.04, 0.00317351/step Wall: 8091.04, 0.00317351/step, 2.15129 hours remaining, 238.414062 MB of memory in use. ENERGY: 2559600 3945.3810 20661.6212 14530.2795 256.3781 -203605.3233 2638.9563 0.0000 0.0000 51987.6082 -109585.0990 298.7735 -161572.7072 -109222.6772 299.3873 -103.0306 -82.3425 761099.3197 -16.7678 -16.8060 PRESSURE: 2559800 -250.251 -143.646 -109.557 -143.646 -421.836 -294.311 -109.556 -294.31 -60.8561 GPRESSURE: 2559800 -298.589 -130.854 -86.9783 -61.436 -316.584 -313.941 -47.3225 -135.359 -40.9038 PRESSAVG: 2559800 8.76954 -31.2674 61.8584 -31.2674 1.05342 10.995 61.8584 10.995 -2.96836 GPRESSAVG: 2559800 6.97667 -32.0655 61.1749 -32.1805 2.19472 11.6079 61.9079 12.7417 -1.9246 TIMING: 2559800 CPU: 8091.67, 0.00317033/step Wall: 8091.67, 0.00317033/step, 2.14896 hours remaining, 238.414062 MB of memory in use. ENERGY: 2559800 4023.5423 20766.6051 14411.1572 253.4629 -203384.9487 2234.2122 0.0000 0.0000 52179.9185 -109516.0505 299.8787 -161695.9690 -109159.5387 299.2680 -244.3146 -218.6921 761864.3153 2.2849 2.4156 PRESSURE: 2560000 -51.7859 -230.038 228.858 -230.038 -31.0415 -65.9138 228.859 -65.9138 149.567 GPRESSURE: 2560000 -51.1351 -242.065 315.197 -159.5 86.4121 -96.4071 181.97 -84.1766 102.459 PRESSAVG: 2560000 -19.489 -20.3876 37.5624 -20.3876 -22.6986 22.4676 37.5624 22.4675 4.78604 GPRESSAVG: 2560000 -19.0575 -18.1891 37.4215 -21.0087 -23.2132 20.674 37.2639 21.6359 4.83143 TIMING: 2560000 CPU: 8092.3, 0.00314631/step Wall: 8092.3, 0.00314632/step, 2.1325 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2560000 3995.9989 20609.5870 14463.8403 243.8731 -203171.3094 2469.8888 0.0000 0.0000 51968.5402 -109419.5810 298.6639 -161388.1213 -109062.0441 299.5547 22.2466 45.9120 762032.2630 -12.4672 -12.4798 PRESSURE: 2560200 84.8108 -73.16 80.057 -73.1592 -192.421 -177.4 80.0576 -177.399 200.64 GPRESSURE: 2560200 161.242 -97.7946 31.9096 29.3361 -238.546 -175.553 63.0556 -121.801 228.036 PRESSAVG: 2560200 30.0404 -66.1791 -4.94562 -66.1791 14.724 68.0567 -4.94563 68.0566 9.99549 GPRESSAVG: 2560200 30.5302 -68.1854 -5.03541 -65.3145 14.3626 68.8543 -4.55285 67.7407 9.69373 TIMING: 2560200 CPU: 8092.93, 0.00316031/step Wall: 8092.93, 0.00316031/step, 2.14181 hours remaining, 238.414062 MB of memory in use. ENERGY: 2560200 4004.2145 20708.0578 14423.9286 251.0923 -203897.2654 2752.3438 0.0000 0.0000 52090.0483 -109667.5800 299.3622 -161757.6283 -109313.4214 299.8451 31.0097 50.2439 760202.5209 18.2533 18.1955 LDB: ============= START OF LOAD BALANCING ============== 8105.33 LDB: ============== END OF LOAD BALANCING =============== 8105.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8105.33 LDB: ============= START OF LOAD BALANCING ============== 8105.65 LDB: Largest compute 7075 load 0.034015 is 17.4% of average load 0.195919 LDB: Average compute 0.004402 is 2.2% of average load 0.195919 LDB: TIME 8105.65 LOAD: AVG 0.195919 MAX 0.21696 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 8105.65 LOAD: AVG 0.195919 MAX 0.21696 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 8105.65 LOAD: AVG 0.195919 MAX 0.21696 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 8105.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8105.66 PRESSURE: 2560400 -114.42 64.0469 -48.3495 64.0463 -124.011 1.76742 -48.3504 1.76765 -463.125 GPRESSURE: 2560400 -97.6111 -10.822 89.3059 18.7779 -91.0767 35.8899 -38.7536 148.989 -431.58 PRESSAVG: 2560400 68.983 -39.0879 55.3013 -39.0879 -26.0043 -8.82684 55.3014 -8.82683 -4.45698 GPRESSAVG: 2560400 67.7118 -38.1752 57.0255 -37.3904 -24.3741 -9.01613 53.0851 -7.22464 -4.96289 TIMING: 2560400 CPU: 8093.57, 0.00321942/step Wall: 8093.57, 0.00321942/step, 2.1817 hours remaining, 238.468750 MB of memory in use. ENERGY: 2560400 3956.1719 20515.1754 14456.9575 235.7156 -203375.0711 2550.9717 0.0000 0.0000 51983.4864 -109676.5926 298.7498 -161660.0790 -109307.2514 299.3985 -233.8521 -206.7558 761737.3021 12.8406 12.7916 PRESSURE: 2560600 37.0661 158.479 -90.176 158.478 -208.037 193.593 -90.1763 193.594 -75.5592 GPRESSURE: 2560600 133.111 191.01 -8.88412 80.4836 -167.199 167.217 -49.995 -48.9044 -118.21 PRESSAVG: 2560600 31.0227 -17.5581 23.4926 -17.5581 -27.8384 7.36785 23.4926 7.36788 -5.69307 GPRESSAVG: 2560600 32.4486 -15.975 21.2207 -20.027 -28.8498 7.5002 28.34 4.33515 -5.36766 TIMING: 2560600 CPU: 8094.21, 0.00317202/step Wall: 8094.21, 0.00317202/step, 2.1494 hours remaining, 238.671875 MB of memory in use. ENERGY: 2560600 3968.4766 20449.0254 14437.4063 247.3940 -203427.0476 2602.5266 0.0000 0.0000 51988.0450 -109734.1737 298.7760 -161722.2187 -109368.0978 298.9826 -82.1766 -50.7659 761988.4425 -0.8362 -0.5896 PRESSURE: 2560800 -13.3733 -120.648 -147.422 -120.648 35.9864 61.8521 -147.422 61.8526 -37.0352 GPRESSURE: 2560800 -72.4179 -118.143 -109.561 -16.5497 67.7221 12.9469 -231.561 -58.3009 68.5498 PRESSAVG: 2560800 -5.71628 -17.5115 -9.02226 -17.5115 12.8483 6.56436 -9.02231 6.56437 -3.79325 GPRESSAVG: 2560800 -5.28357 -20.005 -8.6436 -18.8856 11.0027 7.2031 -12.2346 6.5309 -2.61976 TIMING: 2560800 CPU: 8094.84, 0.00316141/step Wall: 8094.84, 0.00316141/step, 2.14203 hours remaining, 238.671875 MB of memory in use. ENERGY: 2560800 3959.4436 20544.9275 14455.0107 236.6561 -203534.0836 2533.6030 0.0000 0.0000 51986.7770 -109817.6657 298.7687 -161804.4427 -109457.2045 298.3221 -4.8074 21.2847 760889.5908 1.1129 1.0331 PRESSURE: 2561000 -64.4098 24.9681 231.935 24.9682 -273.644 -177.248 231.935 -177.248 -240.04 GPRESSURE: 2561000 -22.5219 -31.0359 178.996 27.7576 -237.392 -115.564 321.489 -126.691 -212.412 PRESSAVG: 2561000 18.4334 4.06698 48.1003 4.06696 -20.9742 -0.668335 48.1004 -0.668239 -1.09113 GPRESSAVG: 2561000 18.3086 5.02236 48.1031 5.38536 -19.556 -0.0750254 49.8001 0.142598 -2.54472 TIMING: 2561000 CPU: 8095.47, 0.00315398/step Wall: 8095.47, 0.00315398/step, 2.13682 hours remaining, 238.671875 MB of memory in use. ENERGY: 2561000 3996.7720 20582.9302 14396.8177 250.8724 -203169.0903 2256.3246 0.0000 0.0000 51919.2308 -109766.1425 298.3805 -161685.3733 -109397.1636 298.5468 -192.6981 -157.4420 761786.0329 -1.2106 -1.2640 PRESSURE: 2561200 -54.3114 6.71105 38.4631 6.71033 -133.179 -219.417 38.4631 -219.417 132.077 GPRESSURE: 2561200 -7.18011 110.458 77.5703 -40.4435 -84.9977 -200.937 -22.7559 -104.193 112.535 PRESSAVG: 2561200 41.7844 -16.8501 -29.8897 -16.8502 -36.0916 31.0116 -29.8897 31.0117 -9.61508 GPRESSAVG: 2561200 40.5111 -15.9851 -32.3685 -16.2051 -35.0561 30.1002 -30.3427 31.9304 -9.86713 TIMING: 2561200 CPU: 8096.1, 0.00315526/step Wall: 8096.1, 0.00315526/step, 2.13751 hours remaining, 238.671875 MB of memory in use. ENERGY: 2561200 3923.0366 20539.3646 14491.1424 250.5564 -203312.1861 2397.4870 0.0000 0.0000 51713.4524 -109997.1467 297.1979 -161710.5991 -109650.3693 298.4999 -18.4710 6.7856 760987.1573 -1.3074 -1.4707 PRESSURE: 2561400 -165.421 -38.8755 36.453 -38.8757 83.1035 126.768 36.4526 126.768 404.687 GPRESSURE: 2561400 -44.2212 40.9609 65.1871 35.2482 55.6422 202.339 20.0946 77.4734 384.192 PRESSAVG: 2561400 -15.6272 -32.0144 -5.81974 -32.0144 -4.39497 -20.9657 -5.81977 -20.9657 15.42 GPRESSAVG: 2561400 -14.6695 -32.7936 -3.17063 -33.8102 -5.04092 -20.5054 -6.68802 -21.3377 15.6562 TIMING: 2561400 CPU: 8096.73, 0.00314352/step Wall: 8096.73, 0.00314352/step, 2.12939 hours remaining, 238.671875 MB of memory in use. ENERGY: 2561400 4014.3412 20193.3166 14373.9179 240.5769 -203633.8069 2619.8678 0.0000 0.0000 52001.7752 -110190.0115 298.8549 -162191.7867 -109834.7581 297.8027 107.4565 131.8710 759040.4201 -1.5341 -1.3514 PRESSURE: 2561600 -120.111 -141.907 86.8459 -141.907 -246.4 164.856 86.8462 164.856 16.1585 GPRESSURE: 2561600 -88.232 0.695452 -89.5329 -115.207 -157.625 238.364 151.815 7.64184 -20.3982 PRESSAVG: 2561600 2.98857 -42.7125 44.8954 -42.7125 -35.8867 -43.8929 44.8954 -43.8929 33.1917 GPRESSAVG: 2561600 3.86752 -42.6028 44.2723 -42.3377 -36.033 -42.9098 44.5276 -45.5971 31.7637 TIMING: 2561600 CPU: 8097.36, 0.00315709/step Wall: 8097.36, 0.00315709/step, 2.1384 hours remaining, 238.671875 MB of memory in use. ENERGY: 2561600 4076.8168 20400.8134 14396.4151 242.4666 -203568.6653 2364.1083 0.0000 0.0000 51984.8110 -110103.2340 298.7574 -162088.0450 -109737.5027 297.8584 -116.7842 -88.7517 759498.9450 0.0978 -0.1339 PRESSURE: 2561800 -85.8179 -303.662 -105.69 -303.662 164.813 -40.5064 -105.69 -40.507 -45.3811 GPRESSURE: 2561800 -74.6402 -312.112 -77.7013 -279.338 248.948 -28.5988 -103.766 25.9754 -61.1077 PRESSAVG: 2561800 -12.7902 -57.9159 -5.80276 -57.9159 -17.9264 11.7635 -5.80278 11.7635 -2.77608 GPRESSAVG: 2561800 -13.4664 -59.0257 -4.89601 -57.7993 -19.5129 10.7538 -3.80008 14.4452 -0.527683 TIMING: 2561800 CPU: 8097.99, 0.00315449/step Wall: 8097.99, 0.00315449/step, 2.13646 hours remaining, 238.671875 MB of memory in use. ENERGY: 2561800 4004.8320 20529.1270 14401.8151 240.4772 -203262.3190 2458.2571 0.0000 0.0000 51563.8978 -110063.9127 296.3384 -161627.8105 -109704.7467 298.0951 11.2047 37.7333 760043.4745 -11.1642 -11.1690 PRESSURE: 2562000 23.74 -26.4909 -130.661 -26.4914 -324.78 137.329 -130.661 137.33 -12.5846 GPRESSURE: 2562000 -34.7728 -152.129 -112.165 -55.3961 -197.661 133.133 -252.941 108.055 0.841631 PRESSAVG: 2562000 -28.5821 -26.7809 13.2215 -26.7809 -0.797382 -20.0271 13.2215 -20.0271 -13.124 GPRESSAVG: 2562000 -28.3297 -25.9366 12.3749 -26.4275 0.690911 -20.465 9.73795 -19.0709 -15.0112 TIMING: 2562000 CPU: 8098.62, 0.00314037/step Wall: 8098.62, 0.00314037/step, 2.12673 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2562000 3969.2063 20371.9787 14421.9818 236.1289 -203590.6272 2608.0015 0.0000 0.0000 51874.0073 -110109.3227 298.1206 -161983.3300 -109745.2154 297.9465 -104.5416 -77.1975 760073.2378 -14.1678 -14.2167 PRESSURE: 2562200 21.8334 -161.921 -40.1528 -161.922 -60.7238 -147.625 -40.1529 -147.625 139.725 GPRESSURE: 2562200 -9.68304 -68.622 20.7243 -188.127 30.5017 -149.571 -5.45695 -221.181 164.388 PRESSAVG: 2562200 74.2307 -33.8476 -2.61256 -33.8477 -61.0831 -16.9652 -2.61256 -16.9653 8.35977 GPRESSAVG: 2562200 73.8569 -33.8696 -2.13571 -34.3317 -61.1586 -16.7786 -1.24369 -16.8682 8.75008 TIMING: 2562200 CPU: 8099.25, 0.00313205/step Wall: 8099.25, 0.00313205/step, 2.12092 hours remaining, 238.671875 MB of memory in use. ENERGY: 2562200 3973.2411 20471.5247 14429.3221 252.7893 -203444.6004 2721.5421 0.0000 0.0000 51675.5158 -109920.6653 296.9799 -161596.1811 -109572.8594 298.1419 33.6116 61.7355 761717.0105 7.1691 7.1495 PRESSURE: 2562400 -181.465 45.9658 99.6168 45.9664 -339.971 74.5772 99.6164 74.5778 -86.2534 GPRESSURE: 2562400 -271.035 184.277 112.929 -28.261 -183.02 66.7665 45.5815 -31.2723 -49.2115 PRESSAVG: 2562400 0.844555 -4.85697 27.9453 -4.85695 -31.5404 -29.0321 27.9452 -29.032 -3.79952 GPRESSAVG: 2562400 0.93842 -4.1938 29.0116 -4.71341 -32.9808 -28.6473 26.1029 -31.4585 -2.53087 TIMING: 2562400 CPU: 8099.88, 0.00314827/step Wall: 8099.88, 0.00314827/step, 2.13173 hours remaining, 238.671875 MB of memory in use. ENERGY: 2562400 3945.6993 20321.1092 14448.2117 248.1063 -203446.7321 2423.2348 0.0000 0.0000 52004.6743 -110055.6966 298.8716 -162060.3709 -109680.3519 298.3164 -202.5632 -167.7553 761439.5982 -11.4984 -11.5244 PRESSURE: 2562600 -351.019 -98.0905 378.487 -98.0914 42.1863 -364.325 378.487 -364.325 27.8437 GPRESSURE: 2562600 -239.815 -37.3256 255.671 51.1235 -46.6687 -383.944 363.02 -102.532 104.708 PRESSAVG: 2562600 5.27757 -43.6754 0.677654 -43.6754 13.3625 -81.2107 0.67765 -81.2107 15.205 GPRESSAVG: 2562600 5.76756 -42.2682 -0.715457 -43.6287 13.2947 -80.6136 3.52752 -80.2658 14.9543 TIMING: 2562600 CPU: 8100.51, 0.00314374/step Wall: 8100.51, 0.00314374/step, 2.12849 hours remaining, 238.671875 MB of memory in use. ENERGY: 2562600 3960.7397 20483.6255 14445.7039 257.5328 -203702.5977 2612.3376 0.0000 0.0000 51912.7718 -110029.8864 298.3434 -161942.6583 -109659.6567 298.4079 -93.6629 -60.5919 760533.9037 11.2817 11.3388 PRESSURE: 2562800 -81.5472 -76.9203 -79.0711 -76.9201 195.302 -41.0036 -79.0716 -41.0037 -28.4308 GPRESSURE: 2562800 18.4703 -48.9394 16.6064 -106.928 209.185 -62.3921 9.58962 -84.0762 -75.4019 PRESSAVG: 2562800 36.7622 -73.2543 8.76176 -73.2543 -11.1638 -54.0531 8.76174 -54.0532 -16.5657 GPRESSAVG: 2562800 35.6377 -74.4901 8.75131 -72.6572 -9.59714 -54.3081 8.36046 -52.5101 -17.0839 TIMING: 2562800 CPU: 8101.14, 0.00314581/step Wall: 8101.14, 0.00314581/step, 2.12971 hours remaining, 238.671875 MB of memory in use. ENERGY: 2562800 3996.0928 20500.9300 14425.7640 234.2527 -204276.3790 2941.1245 0.0000 0.0000 51687.1194 -110491.0956 297.0466 -162178.2151 -110134.6676 297.7742 28.4412 50.7510 760121.0476 3.0109 2.9856 PRESSURE: 2563000 320.145 -71.4047 -210.349 -71.404 55.2976 24.6856 -210.349 24.6854 210.969 GPRESSURE: 2563000 392.571 -0.708767 -249.514 -45.4224 85.5486 29.5308 -126.856 77.2427 174.778 PRESSAVG: 2563000 -42.1697 -1.11547 -20.7315 -1.11547 42.5136 -3.51995 -20.7315 -3.52 1.82899 GPRESSAVG: 2563000 -40.755 -2.51218 -22.1786 -2.57155 42.2258 -2.96841 -21.0267 -6.99097 0.465853 TIMING: 2563000 CPU: 8101.77, 0.00315553/step Wall: 8101.77, 0.00315553/step, 2.13612 hours remaining, 238.671875 MB of memory in use. ENERGY: 2563000 3882.1196 20339.2590 14401.9764 270.8858 -203759.3250 2438.9429 0.0000 0.0000 51897.7627 -110528.3786 298.2572 -162426.1413 -110168.6576 296.6798 195.4704 217.6327 760369.9782 0.7243 0.6455 PRESSURE: 2563200 83.0087 50.447 319.68 50.4459 64.2881 -386.95 319.68 -386.95 254.061 GPRESSURE: 2563200 78.7415 95.1012 328.844 70.5318 122.936 -266.516 278.253 -340.325 261.799 PRESSAVG: 2563200 23.6253 -29.8211 20.8616 -29.8211 4.06777 -19.5741 20.8616 -19.5741 -25.343 GPRESSAVG: 2563200 23.4493 -27.6991 23.074 -28.7835 3.96213 -19.5112 20.8567 -17.9203 -24.239 TIMING: 2563200 CPU: 8102.4, 0.00314618/step Wall: 8102.4, 0.00314618/step, 2.12962 hours remaining, 238.671875 MB of memory in use. ENERGY: 2563200 3860.1971 20323.3185 14463.9141 264.5124 -203687.7167 2606.9988 0.0000 0.0000 51657.4991 -110511.2767 296.8764 -162168.7757 -110154.2901 297.1872 133.7860 154.4921 759865.6177 0.7834 1.0575 PRESSURE: 2563400 -473.312 32.0779 95.2755 32.0767 -69.9591 -30.8514 95.2759 -30.8501 14.946 GPRESSURE: 2563400 -425.677 -76.3292 108.909 5.87392 -45.2359 -97.0901 9.22867 90.6524 10.4666 PRESSAVG: 2563400 -45.1932 -43.3573 57.4486 -43.3573 57.3255 -27.7681 57.4486 -27.7681 15.427 GPRESSAVG: 2563400 -44.6383 -45.1354 57.6636 -44.9458 58.2704 -27.7081 56.0401 -28.7552 14.371 TIMING: 2563400 CPU: 8103.02, 0.00313754/step Wall: 8103.02, 0.00313754/step, 2.12359 hours remaining, 238.671875 MB of memory in use. ENERGY: 2563400 4005.4855 20468.3276 14411.8666 246.7544 -204019.5301 2637.6161 0.0000 0.0000 52000.7732 -110248.7067 298.8492 -162249.4799 -109883.0508 297.7134 -176.1084 -153.4822 760674.4087 9.1865 9.3343 PRESSURE: 2563600 -131.893 -145.858 -41.4775 -145.859 -67.3921 -51.0556 -41.4771 -51.0563 139.386 GPRESSURE: 2563600 -165.014 -119.579 30.8762 -166.997 35.7692 -66.1693 -80.5867 -47.7883 175.994 PRESSAVG: 2563600 31.712 -57.8045 8.43206 -57.8045 -13.529 -33.6602 8.43202 -33.6603 -4.10494 GPRESSAVG: 2563600 31.4716 -58.3497 8.39973 -56.7853 -15.3093 -34.9111 10.735 -33.6468 -1.73394 TIMING: 2563600 CPU: 8103.66, 0.00315742/step Wall: 8103.66, 0.00315742/step, 2.13687 hours remaining, 238.671875 MB of memory in use. ENERGY: 2563600 4003.9146 20432.1636 14413.0710 230.5225 -204040.4145 2719.6743 0.0000 0.0000 51729.3846 -110511.6840 297.2895 -162241.0686 -110152.8702 297.6485 -19.9665 15.5831 760307.0123 4.6927 4.8095 PRESSURE: 2563800 12.057 -284.559 -269.757 -284.558 -233.25 -92.8592 -269.756 -92.8586 13.0021 GPRESSURE: 2563800 37.8676 -237.229 -229.628 -303.248 -200.284 -102.758 -289.016 -25.0349 46.9146 PRESSAVG: 2563800 -15.1473 -28.2496 -30.3326 -28.2496 41.278 -3.77391 -30.3327 -3.77396 21.0276 GPRESSAVG: 2563800 -14.3602 -25.3382 -32.2454 -29.0994 41.8859 -4.45189 -30.662 -4.03315 18.9839 TIMING: 2563800 CPU: 8104.29, 0.00316189/step Wall: 8104.29, 0.00316189/step, 2.13972 hours remaining, 238.671875 MB of memory in use. ENERGY: 2563800 3933.3147 20408.7759 14359.1234 229.8318 -203888.1304 2709.8228 0.0000 0.0000 51834.1939 -110413.0678 297.8918 -162247.2617 -110053.0803 297.8722 -69.3968 -38.5007 760505.5132 15.7194 15.5032 PRESSURE: 2564000 224.715 -260.776 -13.5469 -260.776 197.338 -115.576 -13.5472 -115.577 7.86306 GPRESSURE: 2564000 249.041 -315.54 -51.0673 -137.391 229.155 -92.4008 25.7827 -146.685 33.9948 PRESSAVG: 2564000 15.0544 -79.0924 -23.9914 -79.0923 -6.35736 34.1798 -23.9914 34.1799 10.1554 GPRESSAVG: 2564000 14.0567 -81.3463 -23.2009 -79.3615 -6.46773 35.3976 -23.9913 34.4787 10.9688 TIMING: 2564000 CPU: 8104.92, 0.00315165/step Wall: 8104.92, 0.00315165/step, 2.13262 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2564000 3863.4980 20457.5817 14378.3546 246.2623 -203985.7269 2724.9109 0.0000 0.0000 51734.6990 -110580.4205 297.3200 -162315.1195 -110215.6921 297.3226 143.3055 170.7303 759313.2434 6.2842 6.1859 PRESSURE: 2564200 -275.915 211.342 90.7651 211.342 80.6734 -277.302 90.7656 -277.302 -204.702 GPRESSURE: 2564200 -176.502 215.397 69.8939 111.723 101.992 -302.743 129.427 -215.369 -216.015 PRESSAVG: 2564200 8.21863 -16.7553 -25.7836 -16.7553 -13.6461 -1.57473 -25.7836 -1.57474 8.94045 GPRESSAVG: 2564200 7.61865 -16.908 -24.7329 -15.6902 -12.9675 -1.69062 -27.033 0.0243665 9.18942 TIMING: 2564200 CPU: 8105.55, 0.00315302/step Wall: 8105.55, 0.00315302/step, 2.13337 hours remaining, 238.671875 MB of memory in use. ENERGY: 2564200 4008.4416 20524.3331 14405.4064 244.5928 -203731.4468 2493.4932 0.0000 0.0000 51646.3125 -110408.8672 296.8121 -162055.1797 -110051.0031 297.5332 -133.3145 -96.8417 760341.0512 1.1710 1.2802 LDB: ============= START OF LOAD BALANCING ============== 8117.95 LDB: ============== END OF LOAD BALANCING =============== 8117.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8117.95 LDB: ============= START OF LOAD BALANCING ============== 8118.26 LDB: Largest compute 7077 load 0.036358 is 18.6% of average load 0.195973 LDB: Average compute 0.004396 is 2.2% of average load 0.195973 LDB: TIME 8118.27 LOAD: AVG 0.195973 MAX 0.214662 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.527 MB LDB: TIME 8118.27 LOAD: AVG 0.195973 MAX 0.214662 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.73 MB LDB: TIME 8118.27 LOAD: AVG 0.195973 MAX 0.214662 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.73 MB LDB: ============== END OF LOAD BALANCING =============== 8118.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8118.27 PRESSURE: 2564400 -82.5021 -16.9192 23.2148 -16.9184 232.534 -196.273 23.2145 -196.274 38.4477 GPRESSURE: 2564400 -32.0359 29.9672 -23.7294 -117.172 197.32 -115.863 4.9776 -76.0169 118.589 PRESSAVG: 2564400 7.78359 -54.6357 7.96668 -54.6357 -18.7449 -44.7706 7.96671 -44.7706 0.099176 GPRESSAVG: 2564400 8.59671 -53.371 8.06985 -55.4536 -19.9643 -43.9766 8.15431 -48.0787 -0.0744125 TIMING: 2564400 CPU: 8106.19, 0.00321076/step Wall: 8106.19, 0.00321076/step, 2.17226 hours remaining, 237.128906 MB of memory in use. ENERGY: 2564400 3988.4610 20431.1568 14470.6593 253.4902 -204128.7787 2787.4684 0.0000 0.0000 51827.6917 -110369.8513 297.8545 -162197.5430 -110019.6556 297.6051 62.8264 94.6244 759684.3091 -3.6207 -3.8140 PRESSURE: 2564600 23.5326 -67.6376 -23.6826 -67.6374 148.38 33.0094 -23.6819 33.0097 281.075 GPRESSURE: 2564600 69.0949 -58.5224 -48.0685 -9.70682 108.154 28.0202 -31.2735 -4.50525 360.555 PRESSAVG: 2564600 -30.5264 -86.7048 -23.4114 -86.7048 19.6917 18.7616 -23.4113 18.7616 -7.02168 GPRESSAVG: 2564600 -31.4074 -88.5041 -24.0066 -85.1695 19.8435 17.9084 -22.4973 21.0675 -6.83091 TIMING: 2564600 CPU: 8106.82, 0.00316136/step Wall: 8106.82, 0.00316136/step, 2.13866 hours remaining, 237.128906 MB of memory in use. ENERGY: 2564600 3901.3330 20527.7071 14404.6076 256.2352 -203617.8116 2662.8062 0.0000 0.0000 51728.4755 -110136.6470 297.2843 -161865.1225 -109774.5658 298.2567 150.9959 179.2679 759630.4068 -5.9521 -6.1316 PRESSURE: 2564800 221.355 22.9147 124.054 22.9147 197.792 -75.1272 124.054 -75.1276 563.989 GPRESSURE: 2564800 283.759 -121.154 85.7824 -6.3644 236.948 -84.5652 206.043 -0.830073 551.217 PRESSAVG: 2564800 36.7044 -37.1598 -7.33207 -37.1598 -34.4839 -39.6292 -7.33206 -39.6292 16.489 GPRESSAVG: 2564800 36.8808 -36.1558 -7.28158 -35.9151 -34.5418 -39.6856 -6.98233 -38.9573 16.2133 TIMING: 2564800 CPU: 8107.45, 0.00313258/step Wall: 8107.45, 0.00313258/step, 2.11902 hours remaining, 237.128906 MB of memory in use. ENERGY: 2564800 3962.8978 20398.1059 14362.5086 254.6237 -203563.0078 2642.0675 0.0000 0.0000 51866.8087 -110075.9956 298.0793 -161942.8043 -109720.2146 298.1944 327.7120 357.3079 759927.1805 6.2365 6.1841 PRESSURE: 2565000 -147.692 111.251 -5.64556 111.251 -306.4 -28.8425 -5.64511 -28.8424 -292.86 GPRESSURE: 2565000 -49.8503 156.245 5.57743 -25.2238 -310.414 -111.433 -57.476 -86.2383 -293.465 PRESSAVG: 2565000 2.49896 -35.8327 -29.8753 -35.8327 13.1971 -16.8475 -29.8753 -16.8475 24.8096 GPRESSAVG: 2565000 2.36168 -35.4203 -29.5364 -38.3064 13.0953 -16.0799 -31.6321 -18.7341 24.8946 TIMING: 2565000 CPU: 8108.08, 0.00313492/step Wall: 8108.08, 0.00313492/step, 2.12042 hours remaining, 237.128906 MB of memory in use. ENERGY: 2565000 3967.0533 20378.2915 14436.4769 232.3592 -203555.7504 2377.3946 0.0000 0.0000 52212.9077 -109951.2674 300.0683 -162164.1750 -109582.0600 297.9129 -248.9838 -217.9099 759946.0528 13.5019 13.4505 PRESSURE: 2565200 -253.015 -94.7719 -193.595 -94.7711 35.8293 7.41926 -193.594 7.41767 119.826 GPRESSURE: 2565200 -165.761 -22.7114 -201.982 -172.916 0.627313 29.0422 -51.2385 94.2981 141.46 PRESSAVG: 2565200 -16.3339 -25.9281 26.0837 -25.9281 7.25142 -11.6168 26.0838 -11.6168 -12.0798 GPRESSAVG: 2565200 -16.4282 -24.3202 26.9045 -26.3778 7.80674 -12.2636 26.3669 -12.8018 -12.4267 TIMING: 2565200 CPU: 8108.7, 0.0031343/step Wall: 8108.7, 0.0031343/step, 2.11983 hours remaining, 237.128906 MB of memory in use. ENERGY: 2565200 4033.9513 20462.2091 14407.7979 253.7539 -203734.4895 2745.0894 0.0000 0.0000 51863.7408 -109967.9470 298.0616 -161831.6879 -109600.2092 297.8059 -32.4531 -7.8912 760742.0263 -7.0541 -7.0160 PRESSURE: 2565400 -19.6174 -74.5924 -194.81 -74.5922 -425.419 -256.05 -194.809 -256.05 -237.301 GPRESSURE: 2565400 -21.3026 -136.035 -193.306 -148.318 -345.036 -183.652 -255.727 -364.112 -249.552 PRESSAVG: 2565400 2.3645 -82.4398 -4.94855 -82.4398 -26.1342 -50.9909 -4.94851 -50.9909 15.888 GPRESSAVG: 2565400 1.12421 -83.5138 -5.86959 -82.7643 -25.6078 -49.5254 -3.64767 -50.5389 16.4954 TIMING: 2565400 CPU: 8109.33, 0.00314348/step Wall: 8109.33, 0.00314348/step, 2.12587 hours remaining, 237.128906 MB of memory in use. ENERGY: 2565400 4101.3762 20277.0610 14429.5778 223.8515 -203442.9092 2411.1613 0.0000 0.0000 52061.1062 -109938.7753 299.1959 -161999.8815 -109573.9430 298.2807 -227.4460 -205.2970 762780.2498 -2.6272 -2.6627 PRESSURE: 2565600 -20.6024 -212.178 -39.8306 -212.178 -338.055 -138.678 -39.83 -138.677 23.9794 GPRESSURE: 2565600 52.0105 -107.051 -67.4966 -271.963 -336.791 -150.357 -105.17 -147.921 42.3348 PRESSAVG: 2565600 13.8611 -92.6251 -3.43419 -92.6251 21.9665 -9.71842 -3.43415 -9.71838 -8.26411 GPRESSAVG: 2565600 15.8907 -91.8595 -2.64248 -90.2226 20.9212 -11.6289 -3.32474 -8.06361 -8.9775 TIMING: 2565600 CPU: 8109.96, 0.00314833/step Wall: 8109.96, 0.00314833/step, 2.12897 hours remaining, 237.128906 MB of memory in use. ENERGY: 2565600 4008.7799 20471.1725 14365.3920 247.0097 -203195.4554 2508.7497 0.0000 0.0000 51950.7840 -109643.5677 298.5619 -161594.3517 -109281.5386 298.6167 -111.5593 -80.8154 760417.2039 9.1878 9.2781 PRESSURE: 2565800 -302.017 101.841 -225.054 101.84 143.934 10.4005 -225.053 10.4016 149.952 GPRESSURE: 2565800 -230.185 32.7953 -184.498 44.5636 167.327 2.72117 -124.441 -12.0925 131.118 PRESSAVG: 2565800 26.6918 -18.7275 5.9453 -18.7274 -31.5957 -43.3918 5.94526 -43.3918 15.8252 GPRESSAVG: 2565800 26.9328 -23.2581 5.1818 -18.0795 -31.6248 -42.0934 5.53355 -45.2574 15.9382 TIMING: 2565800 CPU: 8110.59, 0.00314789/step Wall: 8110.59, 0.00314789/step, 2.1285 hours remaining, 237.128906 MB of memory in use. ENERGY: 2565800 4010.6415 20436.8953 14462.1338 258.4605 -203056.7322 2254.2800 0.0000 0.0000 51956.7754 -109677.5457 298.5963 -161634.3211 -109326.6057 298.6622 -2.7104 22.7535 761270.0803 3.6404 3.7487 PRESSURE: 2566000 331.382 156.798 -95.0021 156.799 -73.8339 49.9929 -95.0011 49.9936 158.94 GPRESSURE: 2566000 292.446 190.863 -126.724 152.828 9.14635 30.516 36.1687 28.7053 198.98 PRESSAVG: 2566000 -9.9495 -29.8563 -10.2107 -29.8563 51.2808 -33.463 -10.2106 -33.4631 -6.70169 GPRESSAVG: 2566000 -10.1651 -27.375 -8.88535 -32.2746 52.0266 -35.0366 -9.1323 -33.9488 -6.39567 TIMING: 2566000 CPU: 8111.22, 0.00315838/step Wall: 8111.22, 0.00315838/step, 2.13542 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2566000 3978.4653 20454.6043 14417.3270 253.9771 -203284.4411 2448.6172 0.0000 0.0000 52004.3224 -109727.1278 298.8696 -161731.4502 -109367.9424 298.8857 138.8293 166.8573 759882.3615 11.5432 11.8220 PRESSURE: 2566200 81.5739 -35.0174 -10.187 -35.0179 -27.1636 -217.993 -10.1876 -217.991 -22.266 GPRESSURE: 2566200 93.7519 -65.6333 -81.1329 42.3437 -32.4031 -164.924 -59.7439 -169.79 46.8864 PRESSAVG: 2566200 -28.6101 -46.4908 33.7002 -46.4908 6.17799 -75.7617 33.7001 -75.7617 14.04 GPRESSAVG: 2566200 -28.9138 -47.6712 32.6472 -45.5153 5.79359 -75.6487 32.7976 -72.9152 13.9576 TIMING: 2566200 CPU: 8111.85, 0.00314727/step Wall: 8111.85, 0.00314727/step, 2.12773 hours remaining, 237.128906 MB of memory in use. ENERGY: 2566200 3973.5960 20405.2955 14460.6691 253.6981 -203354.8025 2509.7560 0.0000 0.0000 52007.5121 -109744.2758 298.8879 -161751.7878 -109385.8352 298.6557 10.7148 36.0784 762059.3773 -2.7974 -3.0542 PRESSURE: 2566400 18.6513 -34.3754 -22.6702 -34.3754 -139.297 -81.4717 -22.6716 -81.473 -343.948 GPRESSURE: 2566400 106.964 6.0857 23.99 -55.2594 -176.71 -112.859 39.7188 -39.67 -298.345 PRESSAVG: 2566400 -15.2639 -50.4827 2.37171 -50.4827 -10.2407 -74.5918 2.37165 -74.5917 -5.78658 GPRESSAVG: 2566400 -14.9049 -46.6417 3.33301 -51.7482 -10.0407 -74.7271 1.47432 -75.1068 -6.2117 TIMING: 2566400 CPU: 8112.48, 0.00314272/step Wall: 8112.48, 0.00314272/step, 2.12448 hours remaining, 237.128906 MB of memory in use. ENERGY: 2566400 3987.4296 20338.2285 14388.7710 229.2924 -203149.1444 2370.0440 0.0000 0.0000 51961.9955 -109873.3833 298.6263 -161835.3788 -109509.1885 298.6234 -154.8646 -122.6969 760837.7276 -10.4304 -10.3857 PRESSURE: 2566600 120.933 -251.884 68.789 -251.884 -295.079 153.462 68.7881 153.462 -215.349 GPRESSURE: 2566600 134.882 -282.509 46.2984 -177.092 -227.103 104.072 -73.7178 57.9529 -192.332 PRESSAVG: 2566600 -2.81599 -40.7779 -26.2529 -40.7779 30.7008 -42.0113 -26.2529 -42.0112 15.2732 GPRESSAVG: 2566600 -3.86583 -44.0028 -27.5092 -41.4276 30.827 -40.3176 -23.8857 -46.483 16.3406 TIMING: 2566600 CPU: 8113.11, 0.00315353/step Wall: 8113.11, 0.00315353/step, 2.13161 hours remaining, 237.128906 MB of memory in use. ENERGY: 2566600 3939.4916 20593.3362 14399.3361 240.0425 -203099.6066 2319.7335 0.0000 0.0000 51994.6213 -109613.0453 298.8138 -161607.6667 -109245.2848 298.5060 -129.8317 -94.8510 763806.2833 14.3860 14.4339 PRESSURE: 2566800 379.625 -55.3469 -22.6995 -55.347 266.376 118.184 -22.6994 118.184 189.769 GPRESSURE: 2566800 421.143 28.755 11.9295 13.9598 314.686 70.5781 15.9843 64.2604 190.289 PRESSAVG: 2566800 39.0535 -18.4751 21.1624 -18.4751 -58.6456 -68.2665 21.1624 -68.2666 -17.4924 GPRESSAVG: 2566800 40.0498 -14.6137 22.5884 -18.1737 -59.2028 -70.6733 21.0811 -62.9436 -18.6627 TIMING: 2566800 CPU: 8113.74, 0.00313901/step Wall: 8113.74, 0.00313901/step, 2.12162 hours remaining, 237.128906 MB of memory in use. ENERGY: 2566800 3907.9631 20523.6844 14415.6005 244.1539 -203612.1204 2791.5497 0.0000 0.0000 52061.9858 -109667.1830 299.2009 -161729.1688 -109308.2289 298.6888 278.5900 308.7058 761360.4916 -12.3615 -12.6052 PRESSURE: 2567000 267.782 164.122 152.238 164.12 -335.539 -53.8057 152.238 -53.806 -252.627 GPRESSURE: 2567000 191.685 28.58 150.666 163.292 -212.069 -79.581 195.035 -66.5518 -217.187 PRESSAVG: 2567000 24.4125 8.93391 -14.9929 8.93395 -24.8895 -44.5189 -14.9929 -44.5189 11.9505 GPRESSAVG: 2567000 24.211 7.82092 -15.6474 8.76674 -24.5817 -41.6843 -16.6322 -46.7859 12.0884 TIMING: 2567000 CPU: 8114.37, 0.00315744/step Wall: 8114.37, 0.00315744/step, 2.1339 hours remaining, 237.128906 MB of memory in use. ENERGY: 2567000 4037.5708 20405.3466 14443.8434 256.1953 -203036.1441 2328.4292 0.0000 0.0000 51964.6367 -109600.1220 298.6415 -161564.7588 -109240.0345 298.6817 -106.7948 -79.1904 762857.6682 3.8245 3.9059 PRESSURE: 2567200 289.795 -24.1792 -189.175 -24.1794 1.17428 -81.6332 -189.175 -81.6333 -107.658 GPRESSURE: 2567200 223.013 18.1827 -211.984 -43.176 90.6441 -67.8168 -53.5737 -110.381 -20.4384 PRESSAVG: 2567200 -10.7038 -48.1112 -41.6027 -48.1111 20.1932 -13.9981 -41.6027 -13.998 3.19182 GPRESSAVG: 2567200 -11.7242 -50.1143 -41.9634 -47.8562 20.1897 -16.4845 -41.8307 -12.4703 4.08987 TIMING: 2567200 CPU: 8115, 0.00315692/step Wall: 8115, 0.00315692/step, 2.13338 hours remaining, 237.128906 MB of memory in use. ENERGY: 2567200 4010.2021 20632.2054 14428.8589 252.3628 -203250.2618 2441.4910 0.0000 0.0000 51856.5696 -109628.5719 298.0204 -161485.1415 -109289.8612 298.7846 61.1038 97.7394 761204.5273 4.2271 4.1851 PRESSURE: 2567400 -257.006 80.1798 74.3594 80.1806 85.7575 112.24 74.3599 112.24 -51.8349 GPRESSURE: 2567400 -146.098 36.5784 64.819 117.381 54.0773 81.7348 53.0736 -20.5953 -43.7919 PRESSAVG: 2567400 -21.9712 -57.2493 -15.537 -57.2493 -7.36824 -28.9892 -15.5371 -28.9892 9.61866 GPRESSAVG: 2567400 -21.0928 -55.3339 -15.2144 -59.0443 -7.84069 -26.437 -13.6512 -29.9608 9.42593 TIMING: 2567400 CPU: 8115.63, 0.00315489/step Wall: 8115.63, 0.00315489/step, 2.13183 hours remaining, 237.128906 MB of memory in use. ENERGY: 2567400 3979.5517 20507.7076 14357.0864 268.6061 -202919.7817 2473.0759 0.0000 0.0000 51695.0518 -109638.7022 297.0922 -161333.7540 -109274.0582 298.7790 -74.3611 -45.2708 762978.1959 -6.5736 -6.5025 PRESSURE: 2567600 143.488 -112.027 -135.689 -112.027 390.811 -69.8739 -135.689 -69.8733 -92.2667 GPRESSURE: 2567600 184.423 -232.433 -234.912 -100.978 374.923 -127.923 -47.3659 -113.885 -12.9938 PRESSAVG: 2567600 18.5012 8.38881 -31.053 8.38881 -9.22523 -53.6263 -31.0531 -53.6262 15.4144 GPRESSAVG: 2567600 17.6605 7.16131 -30.1215 8.89155 -8.07879 -55.5873 -31.2372 -56.3294 15.1503 TIMING: 2567600 CPU: 8116.27, 0.0031668/step Wall: 8116.27, 0.0031668/step, 2.1397 hours remaining, 237.128906 MB of memory in use. ENERGY: 2567600 3978.5176 20347.9523 14343.0209 241.5650 -203482.4161 2707.1421 0.0000 0.0000 51982.7538 -109881.4644 298.7456 -161864.2182 -109516.3178 298.5895 147.3442 182.1174 761577.2308 8.2301 8.2440 PRESSURE: 2567800 218.148 134.585 264.184 134.585 -227.673 -16.2628 264.184 -16.2618 128.454 GPRESSURE: 2567800 270.562 102.331 276.44 67.4935 -161.898 42.3552 141.443 -47.3871 71.4389 PRESSAVG: 2567800 9.9199 -52.7294 -51.192 -52.7294 -4.07358 -18.0543 -51.192 -18.0542 35.769 GPRESSAVG: 2567800 11.7486 -52.2712 -51.9324 -52.3219 -4.8931 -17.9305 -51.9586 -17.7072 34.9191 TIMING: 2567800 CPU: 8116.89, 0.00313567/step Wall: 8116.89, 0.00313567/step, 2.11849 hours remaining, 237.128906 MB of memory in use. ENERGY: 2567800 3945.7050 20427.8549 14391.6152 249.4688 -203717.7496 2789.9122 0.0000 0.0000 52047.2496 -109865.9440 299.1163 -161913.1936 -109508.0971 298.0260 39.6431 60.0342 763134.1906 13.8718 13.9249 PRESSURE: 2568000 72.9868 -256.375 -53.789 -256.375 107.232 137.212 -53.7892 137.213 -21.0321 GPRESSURE: 2568000 73.0772 -199.287 -76.0492 -255.527 92.1865 119.28 4.86798 80.176 87.1113 PRESSAVG: 2568000 51.7165 -71.3815 -5.04481 -71.3815 -23.9936 -29.4472 -5.04473 -29.4472 12.323 GPRESSAVG: 2568000 50.5548 -71.5313 -5.52388 -72.3022 -24.909 -30.0549 -5.79744 -29.3317 13.6715 TIMING: 2568000 CPU: 8117.52, 0.00315194/step Wall: 8117.52, 0.00315194/step, 2.12931 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2568000 3947.7939 20523.5895 14421.6642 246.7789 -203381.6958 2602.5202 0.0000 0.0000 51834.2016 -109805.1476 297.8919 -161639.3491 -109447.4707 298.4845 53.0624 84.1250 762245.5507 13.3486 13.1057 PRESSURE: 2568200 295.402 39.4103 -39.3031 39.4098 -41.5041 -141.353 -39.3032 -141.353 175.633 GPRESSURE: 2568200 271.814 48.5506 10.3754 72.1908 136.476 -186.422 63.0157 -40.9526 109.878 PRESSAVG: 2568200 55.3813 -70.4713 -49.1014 -70.4713 -71.7655 -38.8326 -49.1014 -38.8325 -6.48391 GPRESSAVG: 2568200 55.4234 -70.8282 -49.6222 -68.3388 -69.7598 -39.1628 -47.9455 -37.1285 -7.88075 TIMING: 2568200 CPU: 8118.15, 0.00314574/step Wall: 8118.15, 0.00314574/step, 2.12495 hours remaining, 237.128906 MB of memory in use. ENERGY: 2568200 3889.3211 20408.0297 14399.2942 241.2675 -203421.5235 2819.8246 0.0000 0.0000 51927.9747 -109735.8117 298.4308 -161663.7864 -109372.2355 298.7149 143.1767 172.7226 762137.0190 -7.6227 -7.4057 LDB: ============= START OF LOAD BALANCING ============== 8130.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8130.55 LDB: =============== DONE WITH MIGRATION ================ 8130.55 LDB: ============= START OF LOAD BALANCING ============== 8130.87 LDB: Largest compute 7075 load 0.033954 is 17.3% of average load 0.195898 LDB: Average compute 0.004389 is 2.2% of average load 0.195898 LDB: TIME 8130.87 LOAD: AVG 0.195898 MAX 0.215826 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 8130.87 LOAD: AVG 0.195898 MAX 0.215826 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 8130.87 LOAD: AVG 0.195898 MAX 0.215826 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 8130.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8130.88 PRESSURE: 2568400 -129.524 -110.755 126.731 -110.755 -218.593 -271.098 126.731 -271.098 -403.526 GPRESSURE: 2568400 -87.4985 -65.992 91.2808 5.9761 -220.476 -234.833 47.0706 -203.574 -361.448 PRESSAVG: 2568400 70.9421 -42.5168 -22.6984 -42.5168 -18.5893 1.07103 -22.6984 1.07107 -8.27051 GPRESSAVG: 2568400 70.7079 -42.204 -21.863 -42.0069 -19.1648 1.67317 -23.24 1.00239 -7.65622 TIMING: 2568400 CPU: 8118.8, 0.00322202/step Wall: 8118.8, 0.00322202/step, 2.1763 hours remaining, 239.183594 MB of memory in use. ENERGY: 2568400 4007.0343 20492.3167 14407.2065 253.8316 -203077.8346 2346.9087 0.0000 0.0000 52100.3905 -109470.1464 299.4217 -161570.5369 -109110.8180 298.9838 -250.5474 -223.1409 762812.9738 14.6941 14.6290 PRESSURE: 2568600 152.242 14.7748 -352.883 14.7745 183.373 152.31 -352.882 152.308 92.709 GPRESSURE: 2568600 249.347 28.7085 -272.661 -22.6613 196.766 229.676 -266.482 166.466 55.3374 PRESSAVG: 2568600 -38.6904 -33.0005 -17.4827 -33.0004 24.2853 41.4882 -17.4827 41.4881 0.378724 GPRESSAVG: 2568600 -37.9647 -33.9903 -17.2632 -33.9318 23.4831 41.6036 -16.5087 39.6797 0.663453 TIMING: 2568600 CPU: 8119.43, 0.00314711/step Wall: 8119.43, 0.00314711/step, 2.12552 hours remaining, 239.386719 MB of memory in use. ENERGY: 2568600 4003.4159 20470.6369 14472.7120 265.5044 -203143.3054 2533.4231 0.0000 0.0000 51924.1334 -109473.4796 298.4087 -161397.6130 -109115.9030 298.8964 142.7745 167.1499 761517.0301 -4.6755 -4.6060 PRESSURE: 2568800 203.48 127.405 -158.744 127.405 -9.72345 -90.2531 -158.743 -90.2533 -142.175 GPRESSURE: 2568800 220.2 137.57 -57.8727 55.3676 13.0737 28.897 -312.584 -237.355 -84.0025 PRESSAVG: 2568800 -6.21607 -74.1982 -32.1395 -74.1981 -8.18857 8.76126 -32.1396 8.76128 32.7669 GPRESSAVG: 2568800 -5.51772 -72.1156 -32.3441 -74.8649 -7.59122 9.95506 -32.7847 9.19211 31.82 TIMING: 2568800 CPU: 8120.06, 0.00315926/step Wall: 8120.06, 0.00315926/step, 2.13355 hours remaining, 239.386719 MB of memory in use. ENERGY: 2568800 3923.4319 20484.9127 14488.5345 267.1234 -203431.5025 2883.9737 0.0000 0.0000 52098.6035 -109284.9229 299.4114 -161383.5263 -108934.0905 299.3314 17.1938 49.7570 763166.9966 6.1208 6.2370 PRESSURE: 2569000 102.677 63.1325 -82.9008 63.1323 -51.5941 -133.668 -82.9009 -133.668 -177.27 GPRESSURE: 2569000 84.9703 -7.98461 14.0267 37.8545 16.7525 -244.68 18.3389 -76.7731 -140.24 PRESSAVG: 2569000 30.8271 -118.228 -40.9675 -118.228 -0.704569 -45.7585 -40.9676 -45.7586 -11.7634 GPRESSAVG: 2569000 29.0507 -120.765 -41.5527 -118.551 1.03065 -46.9173 -41.8932 -44.9918 -11.3351 TIMING: 2569000 CPU: 8120.69, 0.00314575/step Wall: 8120.69, 0.00314575/step, 2.12426 hours remaining, 239.386719 MB of memory in use. ENERGY: 2569000 4012.9886 20518.5200 14442.8280 243.8723 -203565.2962 2853.4305 0.0000 0.0000 52025.6539 -109468.0030 298.9921 -161493.6569 -109101.2599 299.4968 -42.0621 -12.8392 761277.4985 6.1197 6.2487 PRESSURE: 2569200 59.5514 -70.1517 -137.947 -70.1518 -262.389 123.08 -137.946 123.08 349.812 GPRESSURE: 2569200 165.448 -56.3485 -128.118 -32.2194 -260.144 54.4301 -56.2323 144.27 313.042 PRESSAVG: 2569200 48.8239 -54.9761 -31.2896 -54.9761 -34.9176 53.4274 -31.2896 53.4273 12.4059 GPRESSAVG: 2569200 50.1883 -52.878 -31.1273 -55.8879 -36.4263 52.9506 -28.9837 53.9825 12.7367 TIMING: 2569200 CPU: 8121.32, 0.00315901/step Wall: 8121.32, 0.00315901/step, 2.13303 hours remaining, 239.386719 MB of memory in use. ENERGY: 2569200 4032.8738 20516.6878 14428.5038 241.1681 -203206.8663 2457.9288 0.0000 0.0000 52199.7802 -109329.9239 299.9929 -161529.7041 -108978.0139 299.0559 48.9917 72.7822 760822.2981 8.7707 8.8329 PRESSURE: 2569400 -200.304 -103.25 70.9787 -103.25 -40.1316 -83.7946 70.9787 -83.7945 -134.457 GPRESSURE: 2569400 -193.74 -144.345 42.1129 -100.509 -9.41081 -99.6596 107.45 -126.1 -106.139 PRESSAVG: 2569400 44.9562 -94.7682 -45.4722 -94.7682 5.38512 -9.35237 -45.4722 -9.35238 12.0774 GPRESSAVG: 2569400 43.9484 -97.1887 -45.7048 -91.7877 6.66351 -9.34811 -46.5624 -8.13453 11.9484 TIMING: 2569400 CPU: 8121.95, 0.00313652/step Wall: 8121.95, 0.00313652/step, 2.11768 hours remaining, 239.386719 MB of memory in use. ENERGY: 2569400 3961.1287 20427.2463 14505.2577 254.4167 -202973.8997 2365.1067 0.0000 0.0000 52146.2833 -109314.4602 299.6854 -161460.7435 -108951.5150 299.6748 -124.9642 -103.0968 761063.3371 20.8062 20.8535 PRESSURE: 2569600 81.1995 11.1418 -344.08 11.1413 278.739 177.429 -344.08 177.429 350.752 GPRESSURE: 2569600 125.182 94.0339 -344.507 112.87 277.591 143.601 -177.309 124.962 380.774 PRESSAVG: 2569600 0.208407 -97.7398 -20.2226 -97.7398 42.9483 -26.2797 -20.2226 -26.2797 -11.0458 GPRESSAVG: 2569600 0.257034 -94.6717 -19.7018 -98.4958 41.6263 -24.4124 -21.1271 -28.9722 -9.96612 TIMING: 2569600 CPU: 8122.58, 0.00314799/step Wall: 8122.58, 0.00314799/step, 2.12524 hours remaining, 239.386719 MB of memory in use. ENERGY: 2569600 3967.3966 20477.4112 14426.7228 254.0354 -203277.8455 2610.1134 0.0000 0.0000 52279.4528 -109262.7133 300.4507 -161542.1661 -108897.7174 299.5329 236.8967 261.1823 760062.8900 10.7037 10.6391 PRESSURE: 2569800 339.883 174.197 72.6543 174.195 511.366 -104.267 72.6545 -104.267 465.054 GPRESSURE: 2569800 464.373 175.03 71.0356 143.66 492.773 -33.7811 66.25 -124.067 431.366 PRESSAVG: 2569800 -34.4373 -27.3837 7.84811 -27.3837 69.3816 -62.8973 7.84812 -62.8973 17.4018 GPRESSAVG: 2569800 -34.7184 -28.9662 7.27673 -26.4982 69.6121 -63.7099 8.1893 -61.1831 17.0906 TIMING: 2569800 CPU: 8123.22, 0.00319343/step Wall: 8123.22, 0.00319342/step, 2.15574 hours remaining, 239.386719 MB of memory in use. ENERGY: 2569800 3949.6791 20564.1191 14485.4390 228.4022 -203530.2702 2710.3038 0.0000 0.0000 52177.6341 -109414.6929 299.8656 -161592.3270 -109062.0573 299.7121 438.7676 462.8375 760204.7255 17.4487 17.3281 PRESSURE: 2570000 19.4794 -50.4486 311.488 -50.4479 118.976 -89.2147 311.488 -89.214 88.4904 GPRESSURE: 2570000 126.493 -55.0681 314.168 -76.3336 56.593 -167.529 236.684 -73.3935 142.666 PRESSAVG: 2570000 -24.8921 -91.6872 13.4072 -91.6872 44.4451 -24.5237 13.4071 -24.5237 -1.53067 GPRESSAVG: 2570000 -24.033 -90.9408 13.8948 -93.9114 43.5347 -24.7921 12.3384 -23.2955 -0.973585 TIMING: 2570000 CPU: 8123.85, 0.00318218/step Wall: 8123.85, 0.00318218/step, 2.14797 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2570000 3915.1752 20423.6233 14408.1313 234.7795 -203003.6954 2469.8772 0.0000 0.0000 51985.8917 -109566.2171 298.7636 -161552.1088 -109207.3427 299.1301 75.6485 108.5840 760342.6740 6.0074 6.1760 PRESSURE: 2570200 22.3388 -178.543 -321.103 -178.543 -343.451 26.4428 -321.102 26.4429 -43.7311 GPRESSURE: 2570200 84.3094 -167.449 -337.545 -200.265 -335.357 86.2469 -218.597 -20.8417 -7.70086 PRESSAVG: 2570200 25.454 -35.0186 -12.2315 -35.0186 -46.808 -27.3609 -12.2315 -27.361 -16.0394 GPRESSAVG: 2570200 24.6117 -36.5482 -12.3128 -34.5834 -44.9354 -26.0178 -10.0477 -31.0162 -17.1788 TIMING: 2570200 CPU: 8124.49, 0.00317015/step Wall: 8124.49, 0.00317015/step, 2.13968 hours remaining, 239.386719 MB of memory in use. ENERGY: 2570200 3975.2834 20417.1921 14464.8974 240.4697 -203254.7797 2473.8362 0.0000 0.0000 52185.5389 -109497.5619 299.9110 -161683.1008 -109140.6219 299.4736 -121.6144 -86.2496 761072.1157 -12.4645 -12.5008 PRESSURE: 2570400 3.76162 -2.32215 -142.108 -2.32177 -91.9974 -340.762 -142.108 -340.762 -145.769 GPRESSURE: 2570400 -25.1457 66.7825 -159.2 107.763 -27.3878 -309.01 -120.724 -318.208 -97.2877 PRESSAVG: 2570400 37.214 -12.582 4.52305 -12.582 -40.5415 25.1556 4.52302 25.1556 -1.06344 GPRESSAVG: 2570400 35.7065 -9.90348 5.51006 -12.6431 -40.5794 25.8521 5.02009 26.3594 -0.134976 TIMING: 2570400 CPU: 8125.12, 0.00316814/step Wall: 8125.12, 0.00316814/step, 2.13814 hours remaining, 239.386719 MB of memory in use. ENERGY: 2570400 3944.7741 20622.6451 14411.1957 245.5121 -203210.5488 2428.9041 0.0000 0.0000 52046.4308 -109511.0869 299.1116 -161557.5177 -109157.7296 299.8172 -78.0015 -49.9404 760471.2493 -1.4636 -1.6693 PRESSURE: 2570600 136.645 -244.449 41.3261 -244.449 -47.4441 -181.015 41.3268 -181.016 -295.722 GPRESSURE: 2570600 76.0255 -220.487 51.181 -211.033 -74.7908 -126.805 -10.4759 -201.616 -139.658 PRESSAVG: 2570600 24.2623 -51.5744 -14.0487 -51.5744 -35.9137 -17.1388 -14.0488 -17.1388 -13.0446 GPRESSAVG: 2570600 25.2718 -52.8367 -15.0753 -51.5444 -36.9649 -17.8743 -16.1545 -16.9704 -12.57 TIMING: 2570600 CPU: 8125.76, 0.0031894/step Wall: 8125.76, 0.0031894/step, 2.15232 hours remaining, 239.386719 MB of memory in use. ENERGY: 2570600 3987.6322 20585.5676 14504.4962 251.2272 -203150.5081 2366.2391 0.0000 0.0000 51964.9294 -109490.4164 298.6432 -161455.3458 -109120.0228 299.2069 -68.8403 -46.1411 761833.4082 -8.2320 -8.0877 PRESSURE: 2570800 96.3953 -74.8783 161.738 -74.8785 -32.2821 -43.9251 161.738 -43.9259 72.9215 GPRESSURE: 2570800 127.706 -118.137 179.031 -143.716 -41.4902 -119.095 215.608 -21.9839 123.699 PRESSAVG: 2570800 -14.0777 -35.1163 1.47084 -35.1164 -9.73059 6.64484 1.47088 6.64485 20.6708 GPRESSAVG: 2570800 -13.4199 -35.1304 2.69881 -33.4466 -10.3123 4.82845 3.07187 7.71303 20.1731 TIMING: 2570800 CPU: 8126.39, 0.00316589/step Wall: 8126.39, 0.00316589/step, 2.13627 hours remaining, 239.386719 MB of memory in use. ENERGY: 2570800 3970.9807 20696.6622 14513.5102 236.9483 -203905.5575 3001.4056 0.0000 0.0000 52187.1380 -109298.9124 299.9202 -161486.0505 -108933.2168 299.3898 45.6782 69.9717 760318.5455 -1.0458 -1.1864 PRESSURE: 2571000 -279.947 126.271 89.9472 126.27 255.423 181.65 89.9464 181.65 189.255 GPRESSURE: 2571000 -85.5923 109.771 82.2967 77.9538 136.972 186.632 6.18702 101.846 199.088 PRESSAVG: 2571000 15.6662 -23.0179 5.49367 -23.0178 -39.2583 -4.18462 5.49367 -4.18463 -9.323 GPRESSAVG: 2571000 16.5841 -20.9739 3.50697 -24.0927 -40.0315 -3.43629 6.27745 -4.99878 -9.99566 TIMING: 2571000 CPU: 8127.02, 0.00314605/step Wall: 8127.02, 0.00314605/step, 2.12271 hours remaining, 239.386719 MB of memory in use. ENERGY: 2571000 3938.2407 20683.4907 14458.4194 240.9932 -203447.6144 2516.4773 0.0000 0.0000 52347.8454 -109262.1476 300.8438 -161609.9930 -108897.9843 299.8596 54.9106 83.4892 761672.5836 -10.9717 -11.1477 PRESSURE: 2571200 -139.043 150.062 -250.177 150.062 -333.363 69.7053 -250.177 69.7058 18.4507 GPRESSURE: 2571200 -73.4236 245.921 -218.539 20.8053 -258.095 115.535 -247.236 25.0561 -28.8707 PRESSAVG: 2571200 62.9584 -30.1588 -1.41934 -30.1588 -54.4924 56.568 -1.41933 56.568 28.9126 GPRESSAVG: 2571200 60.8246 -31.8622 0.260559 -31.3656 -52.5032 57.1345 -2.84868 57.2162 28.9016 TIMING: 2571200 CPU: 8127.65, 0.00315545/step Wall: 8127.65, 0.00315545/step, 2.12888 hours remaining, 239.386719 MB of memory in use. ENERGY: 2571200 3946.5199 20654.2353 14465.3749 236.3302 -203271.7680 2398.1147 0.0000 0.0000 52437.1990 -109133.9939 301.3573 -161571.1929 -108770.4468 299.7280 -151.3183 -120.1297 762061.1437 12.4595 12.4077 PRESSURE: 2571400 -355.718 -126.916 -208.84 -126.917 -146.522 -300.944 -208.84 -300.944 78.5902 GPRESSURE: 2571400 -320.148 -60.4557 -185.748 -196.351 -89.3025 -277.255 -214.438 -283.292 86.0787 PRESSAVG: 2571400 42.5374 -59.768 -5.33164 -59.768 -34.0216 42.414 -5.33173 42.4139 9.19557 GPRESSAVG: 2571400 44.1667 -60.8773 -4.41535 -58.3161 -35.3362 42.7786 -5.69084 41.7833 9.35132 TIMING: 2571400 CPU: 8128.28, 0.00315514/step Wall: 8128.28, 0.00315514/step, 2.12849 hours remaining, 239.386719 MB of memory in use. ENERGY: 2571400 3981.6900 20588.5489 14421.7691 235.1835 -203532.6082 2854.7808 0.0000 0.0000 51938.7307 -109511.9054 298.4926 -161450.6360 -109155.7477 299.6203 -141.2166 -107.7905 762646.9125 5.9038 6.0606 PRESSURE: 2571600 -320.49 -98.2181 -37.3334 -98.2185 202.003 188.494 -37.3342 188.494 -443.6 GPRESSURE: 2571600 -274.366 -140.983 40.791 -111.027 198.788 192.529 -26.6263 98.0774 -394.374 PRESSAVG: 2571600 0.0987034 6.71852 8.26604 6.71847 18.8645 11.0876 8.2661 11.0876 27.4425 GPRESSAVG: 2571600 0.393716 10.7598 8.42203 5.57531 19.1706 9.32162 6.94272 11.5042 27.1612 TIMING: 2571600 CPU: 8128.92, 0.00317282/step Wall: 8128.92, 0.00317282/step, 2.14024 hours remaining, 239.386719 MB of memory in use. ENERGY: 2571600 4073.3275 20326.1340 14478.4842 245.5855 -203337.8634 2436.6564 0.0000 0.0000 52143.1118 -109634.5641 299.6672 -161777.6758 -109264.5722 298.8075 -187.3625 -156.6504 762013.5460 15.4686 15.5752 PRESSURE: 2571800 16.868 80.6819 -38.0733 80.6825 590.143 77.6572 -38.0731 77.658 -149.309 GPRESSURE: 2571800 25.24 54.1144 -48.5294 101.903 592.03 55.4601 -62.6804 163.018 -77.3602 PRESSAVG: 2571800 -27.0928 -26.4907 17.8843 -26.4907 38.1195 3.48818 17.8843 3.48817 -35.4962 GPRESSAVG: 2571800 -27.3271 -28.9547 16.4832 -25.5509 36.5777 3.60991 19.7494 2.42738 -34.6684 TIMING: 2571800 CPU: 8129.55, 0.00317183/step Wall: 8129.55, 0.00317183/step, 2.1394 hours remaining, 239.386719 MB of memory in use. ENERGY: 2571800 3943.7948 20606.0104 14423.3799 253.3912 -203356.7539 2637.4900 0.0000 0.0000 51807.7233 -109684.9641 297.7397 -161492.6874 -109323.7532 298.4216 152.5672 179.9701 761838.9013 -8.1565 -8.4726 PRESSURE: 2572000 166.189 -180.802 89.7935 -180.803 -338.295 90.6941 89.7943 90.6951 234.096 GPRESSURE: 2572000 186.893 -157.839 40.9208 -176.293 -249.085 164.048 185.695 64.6305 210.491 PRESSAVG: 2572000 -17.7101 -45.3503 -6.51776 -45.3503 65.5207 16.8484 -6.51779 16.8485 -14.0972 GPRESSAVG: 2572000 -18.1283 -43.962 -6.4943 -47.2263 66.6851 18.6649 -4.87356 17.3077 -14.5298 TIMING: 2572000 CPU: 8130.18, 0.00315506/step Wall: 8130.18, 0.00315506/step, 2.12791 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2572000 3985.8421 20409.6682 14425.8170 262.3398 -203440.8078 2657.9928 0.0000 0.0000 51914.6321 -109784.5158 298.3541 -161699.1479 -109430.2219 298.3783 20.6636 49.4330 760166.7702 11.2378 11.3423 PRESSURE: 2572200 -339.575 -74.1302 119.558 -74.1297 -157.774 98.5601 119.558 98.5597 -603.182 GPRESSURE: 2572200 -269.713 -84.6528 203.209 12.49 -199.462 13.9833 156.879 55.8456 -539.315 PRESSAVG: 2572200 -36.5748 -53.6902 21.014 -53.6903 5.03973 9.44268 21.0139 9.44264 7.69043 GPRESSAVG: 2572200 -35.9218 -57.3809 21.1718 -49.4414 5.3613 9.91355 21.8316 7.82974 7.4708 TIMING: 2572200 CPU: 8130.81, 0.00313164/step Wall: 8130.81, 0.00313164/step, 2.11194 hours remaining, 239.386719 MB of memory in use. ENERGY: 2572200 3971.1703 20467.4305 14466.5454 258.5897 -203245.0586 2413.1581 0.0000 0.0000 52151.5142 -109516.6504 299.7155 -161668.1646 -109159.0152 299.1340 -366.8439 -336.1631 763959.6589 -7.9482 -7.6966 LDB: ============= START OF LOAD BALANCING ============== 8143.21 LDB: ============== END OF LOAD BALANCING =============== 8143.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8143.21 LDB: ============= START OF LOAD BALANCING ============== 8143.52 LDB: Largest compute 7075 load 0.033626 is 17.2% of average load 0.195983 LDB: Average compute 0.004392 is 2.2% of average load 0.195983 LDB: TIME 8143.53 LOAD: AVG 0.195983 MAX 0.214388 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 8143.53 LOAD: AVG 0.195983 MAX 0.214388 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 8143.53 LOAD: AVG 0.195983 MAX 0.214388 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 8143.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8143.54 PRESSURE: 2572400 573.447 -2.07155 -4.51461 -2.07218 -54.5161 72.757 -4.51418 72.7572 274.522 GPRESSURE: 2572400 503.694 9.77863 -113.512 41.2287 13.8862 77.2463 -56.1988 104.855 369.831 PRESSAVG: 2572400 -28.3433 -44.2992 -13.5449 -44.2992 5.44368 48.3501 -13.545 48.3501 -11.5857 GPRESSAVG: 2572400 -28.9007 -41.3739 -14.4089 -44.9873 5.66913 48.1587 -16.9457 48.8476 -10.8425 TIMING: 2572400 CPU: 8131.45, 0.00322121/step Wall: 8131.45, 0.00322121/step, 2.17217 hours remaining, 238.355469 MB of memory in use. ENERGY: 2572400 3865.4043 20465.1845 14393.0983 242.4637 -203588.8148 2708.1927 0.0000 0.0000 52263.1166 -109651.3547 300.3568 -161914.4713 -109285.7118 298.7914 264.4841 295.8040 762122.9306 -11.4951 -11.3580 PRESSURE: 2572600 78.0908 97.1451 39.3487 97.1456 414.937 156.605 39.3489 156.606 -130.028 GPRESSURE: 2572600 186.356 16.1982 18.1621 130.437 433.559 153.143 30.7227 66.879 -160.236 PRESSAVG: 2572600 5.50875 -64.4283 39.8571 -64.4283 -11.2964 30.124 39.8571 30.124 7.35411 GPRESSAVG: 2572600 5.37713 -63.6203 40.721 -68.1157 -11.6101 29.6595 39.9737 30.6935 7.29398 TIMING: 2572600 CPU: 8132.08, 0.0031418/step Wall: 8132.08, 0.0031418/step, 2.11845 hours remaining, 238.355469 MB of memory in use. ENERGY: 2572600 3956.4185 20339.2749 14513.2800 244.1743 -203311.1321 2728.2984 0.0000 0.0000 51794.7175 -109734.9684 297.6650 -161529.6860 -109370.2446 298.4329 120.9999 153.2266 762950.5226 0.5222 0.3537 PRESSURE: 2572800 212.28 -239.345 -108.433 -239.345 171.585 101.23 -108.434 101.23 387.519 GPRESSURE: 2572800 268.227 -285.315 -109.734 -174.443 230.555 93.2954 -42.7473 168.989 359.005 PRESSAVG: 2572800 -36.6436 -54.3951 -24.959 -54.3952 14.1504 17.4044 -24.959 17.4045 -11.6398 GPRESSAVG: 2572800 -35.9407 -55.5579 -24.2901 -51.1396 13.6323 17.2432 -24.5231 18.0997 -11.5677 TIMING: 2572800 CPU: 8132.71, 0.00315634/step Wall: 8132.71, 0.00315634/step, 2.12807 hours remaining, 238.355469 MB of memory in use. ENERGY: 2572800 3994.6365 20303.8017 14444.6087 240.8004 -203542.7533 2836.9054 0.0000 0.0000 51963.2012 -109758.7994 298.6332 -161722.0006 -109392.7279 298.3713 257.1283 285.9293 762959.6680 -11.3777 -11.2920 PRESSURE: 2573000 128.26 -82.56 93.123 -82.5604 236.54 -29.764 93.1227 -29.764 -112.373 GPRESSURE: 2573000 139.851 -161.901 80.6879 -79.1111 328.086 -119.718 105.242 27.9519 -118.127 PRESSAVG: 2573000 -25.338 -45.0853 -24.4964 -45.0853 65.3908 9.21183 -24.4963 9.21183 -6.34267 GPRESSAVG: 2573000 -26.6651 -44.277 -25.6274 -45.856 66.46 8.03615 -23.9293 9.90947 -6.25988 TIMING: 2573000 CPU: 8133.35, 0.00316971/step Wall: 8133.35, 0.00316971/step, 2.13691 hours remaining, 238.355469 MB of memory in use. ENERGY: 2573000 3974.6548 20656.8701 14456.9466 243.4526 -203278.3512 2477.3894 0.0000 0.0000 51940.0019 -109529.0357 298.4999 -161469.0377 -109171.1107 299.2262 84.1427 116.6032 761784.8985 11.2367 11.1783 PRESSURE: 2573200 -194.013 -218.126 213.163 -218.127 -105.55 82.4871 213.163 82.4877 -229.925 GPRESSURE: 2573200 -192.148 -206.668 200.299 -205.78 5.79018 112.02 144.668 52.6942 -253.943 PRESSAVG: 2573200 -31.4709 -110.105 19.9597 -110.105 -6.4729 18.2486 19.9597 18.2486 -21.4741 GPRESSAVG: 2573200 -31.2637 -111.703 19.9409 -110.652 -6.55107 17.0857 20.2957 18.3187 -21.5671 TIMING: 2573200 CPU: 8133.98, 0.00317348/step Wall: 8133.98, 0.00317348/step, 2.13928 hours remaining, 238.355469 MB of memory in use. ENERGY: 2573200 3965.6117 20312.0782 14418.7053 253.3199 -203175.8841 2463.5619 0.0000 0.0000 51992.0268 -109770.5802 298.7989 -161762.6070 -109405.9418 298.5711 -176.4961 -146.7670 763005.9241 -19.8060 -19.7940 PRESSURE: 2573400 398.852 -277.233 -235.225 -277.233 198.614 -28.054 -235.225 -28.0548 25.1954 GPRESSURE: 2573400 470.769 -270.879 -169.653 -215.386 250.094 86.7104 -122.002 132.989 -0.354916 PRESSAVG: 2573400 61.6175 -84.7194 -24.7069 -84.7194 -25.1974 64.2269 -24.7069 64.2268 -7.39166 GPRESSAVG: 2573400 61.8083 -84.2728 -25.2297 -84.8868 -25.2998 64.7547 -26.4811 64.768 -7.51878 TIMING: 2573400 CPU: 8134.62, 0.00318941/step Wall: 8134.62, 0.00318941/step, 2.14984 hours remaining, 238.355469 MB of memory in use. ENERGY: 2573400 4012.1611 20246.1558 14486.9307 237.3220 -203260.4866 2550.6768 0.0000 0.0000 51962.2856 -109764.9546 298.6280 -161727.2402 -109402.3908 298.2668 207.5536 240.1695 762892.5847 9.6761 9.6632 PRESSURE: 2573600 10.3996 -61.7021 165.73 -61.7016 497.072 -94.7038 165.731 -94.7046 -126.894 GPRESSURE: 2573600 40.1722 -83.9628 178.736 -119.176 522.861 -75.1009 99.7505 -144.487 -78.7136 PRESSAVG: 2573600 30.0344 -104.61 -15.9225 -104.61 -50.3871 6.81892 -15.9225 6.81896 26.9353 GPRESSAVG: 2573600 31.5257 -104.73 -16.1705 -104.122 -52.49 8.15385 -14.8878 5.94352 27.4996 TIMING: 2573600 CPU: 8135.25, 0.0031707/step Wall: 8135.25, 0.0031707/step, 2.13705 hours remaining, 238.355469 MB of memory in use. ENERGY: 2573600 4009.4974 20322.4072 14503.1351 243.9890 -203573.6273 2858.5112 0.0000 0.0000 51853.1636 -109782.9238 298.0008 -161636.0874 -109422.8197 297.8982 126.8594 161.4399 761760.0494 2.1942 2.1785 PRESSURE: 2573800 107.528 -87.4573 -130.766 -87.457 34.7239 38.0394 -130.766 38.0402 32.7279 GPRESSURE: 2573800 170.309 -49.9528 -123.199 -28.6223 -1.53044 35.36 -84.196 -10.0298 103.057 PRESSAVG: 2573800 -52.897 -41.3908 21.1754 -41.3909 43.4848 52.7074 21.1755 52.7074 25.1862 GPRESSAVG: 2573800 -54.337 -41.0205 20.7443 -41.8844 45.4792 53.6322 22.5734 51.8584 24.5639 TIMING: 2573800 CPU: 8135.89, 0.00318235/step Wall: 8135.89, 0.00318235/step, 2.14473 hours remaining, 238.355469 MB of memory in use. ENERGY: 2573800 3975.0652 20570.7205 14488.4605 238.8899 -203171.8344 2371.4604 0.0000 0.0000 51973.0344 -109554.2035 298.6897 -161527.2379 -109196.7703 298.7314 58.3266 90.6118 763414.4691 5.2580 5.2354 PRESSURE: 2574000 -24.1985 -45.8136 -107.858 -45.8137 53.7681 233.344 -107.859 233.344 -21.9919 GPRESSURE: 2574000 19.722 -19.5797 -101.125 125.905 122.098 223.096 -60.4548 29.0044 -43.524 PRESSAVG: 2574000 17.3554 -24.9115 12.5336 -24.9115 -17.0851 64.6179 12.5336 64.6179 17.108 GPRESSAVG: 2574000 18.3284 -25.6978 12.5393 -22.9232 -18.0249 62.9193 11.5714 65.4488 16.7223 TIMING: 2574000 CPU: 8136.52, 0.00317574/step Wall: 8136.52, 0.00317574/step, 2.1401 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2574000 4022.5814 20526.7896 14499.1095 234.2581 -203301.8782 2578.8756 0.0000 0.0000 51830.7908 -109609.4732 297.8723 -161440.2640 -109248.3245 298.8539 2.5259 32.7653 761843.4496 5.7928 5.6753 PRESSURE: 2574200 -151.877 -182.596 -62.3067 -182.596 103.448 -74.3338 -62.3063 -74.3335 69.0063 GPRESSURE: 2574200 -51.3419 -136.489 -80.7058 -181.983 45.7088 -69.6829 58.2249 106.132 110.179 PRESSAVG: 2574200 52.0122 -19.5209 18.9483 -19.5209 -14.2459 -23.2839 18.9483 -23.2839 -20.2688 GPRESSAVG: 2574200 51.9606 -20.656 19.9323 -21.5946 -13.8851 -23.5728 18.6981 -24.5371 -20.4649 TIMING: 2574200 CPU: 8137.16, 0.00318626/step Wall: 8137.16, 0.00318626/step, 2.14701 hours remaining, 238.355469 MB of memory in use. ENERGY: 2574200 3930.7096 20717.9872 14509.6013 244.6768 -203384.2500 2607.4770 0.0000 0.0000 51854.9588 -109518.8393 298.0112 -161373.7981 -109158.2299 298.9255 6.8590 34.8488 762980.0072 5.8325 5.8702 PRESSURE: 2574400 -222.614 -94.0075 57.9013 -94.0077 -126.198 63.3505 57.9011 63.3503 -71.6362 GPRESSURE: 2574400 -185.636 -176.468 -30.0763 -27.0464 -110.555 101.089 -73.9401 -14.8807 -53.5065 PRESSAVG: 2574400 27.0608 -51.8083 4.91972 -51.8083 -38.8533 4.54132 4.91973 4.54131 -21.8588 GPRESSAVG: 2574400 26.166 -49.437 3.92229 -52.5979 -37.8778 5.62669 6.60592 5.96737 -21.9208 TIMING: 2574400 CPU: 8137.8, 0.00317367/step Wall: 8137.8, 0.00317367/step, 2.13835 hours remaining, 238.355469 MB of memory in use. ENERGY: 2574400 3996.6136 20510.0560 14432.0242 243.0876 -203434.9350 2724.1220 0.0000 0.0000 52028.7837 -109500.2480 299.0101 -161529.0317 -109132.1960 298.9851 -140.1495 -116.5658 762531.6555 -11.2171 -11.2109 PRESSURE: 2574600 -115.523 219.082 -23.9709 219.082 -14.6983 37.5776 -23.9712 37.5766 106.989 GPRESSURE: 2574600 -41.1933 66.7691 -43.5374 99.6217 -41.6682 25.1372 -172.295 132.396 130.7 PRESSAVG: 2574600 27.0622 -47.7783 2.4535 -47.7783 -4.96624 18.1508 2.45351 18.1508 -10.5029 GPRESSAVG: 2574600 27.6936 -48.4322 2.97077 -48.4307 -5.92296 18.6893 0.676069 18.6297 -10.5522 TIMING: 2574600 CPU: 8138.43, 0.0031635/step Wall: 8138.43, 0.0031635/step, 2.13132 hours remaining, 238.355469 MB of memory in use. ENERGY: 2574600 3997.8476 20428.7835 14485.4440 231.7983 -203535.3511 2647.5973 0.0000 0.0000 52124.1056 -109619.7749 299.5580 -161743.8805 -109256.8227 298.9561 -7.7443 15.9461 760742.1153 3.8644 3.7395 PRESSURE: 2574800 -95.9871 -180.607 93.7869 -180.608 58.0044 -77.3093 93.7871 -77.3089 -135.305 GPRESSURE: 2574800 10.4098 12.3973 89.5825 -151.004 74.6292 -139.893 55.7527 -137.141 -178.644 PRESSAVG: 2574800 -1.341 -0.192563 36.6075 -0.192617 -36.8802 17.0285 36.6075 17.0286 14.4693 GPRESSAVG: 2574800 -1.07304 0.767613 38.8847 -1.52887 -36.0845 15.3252 38.2201 14.883 13.7967 TIMING: 2574800 CPU: 8139.06, 0.00317041/step Wall: 8139.06, 0.00317041/step, 2.1358 hours remaining, 238.355469 MB of memory in use. ENERGY: 2574800 3983.2749 20497.2610 14465.9927 246.1657 -203270.1790 2391.1484 0.0000 0.0000 51788.4659 -109897.8705 297.6290 -161686.3364 -109537.1448 297.9556 -57.7624 -31.2018 762688.7398 -7.9173 -7.7869 PRESSURE: 2575000 67.0887 10.0668 -86.1597 10.0674 27.7345 -80.7614 -86.1592 -80.7613 -147.226 GPRESSURE: 2575000 108.23 21.536 -189.516 57.2446 111.594 -122.646 -170.126 -94.5664 -169.051 PRESSAVG: 2575000 59.0328 -13.0204 0.742332 -13.0205 -20.7692 -17.2483 0.742331 -17.2483 22.736 GPRESSAVG: 2575000 58.0685 -14.5092 -2.66903 -9.59543 -20.1492 -16.401 0.627284 -16.8716 23.6446 TIMING: 2575000 CPU: 8139.7, 0.00316598/step Wall: 8139.7, 0.00316598/step, 2.13264 hours remaining, 238.355469 MB of memory in use. ENERGY: 2575000 4100.8895 20464.5196 14427.3325 252.2030 -203898.4395 2756.6684 0.0000 0.0000 51696.3513 -110200.4752 297.0996 -161896.8266 -109837.7742 297.8333 -17.4675 16.9241 761205.4525 20.3332 20.5213 PRESSURE: 2575200 -264.701 92.4606 -10.7534 92.4602 149.905 103.423 -10.7529 103.423 -14.2793 GPRESSURE: 2575200 -224.226 -11.0596 32.9851 221.646 163.648 69.0281 -103.556 94.6149 19.7213 PRESSAVG: 2575200 1.91047 3.3218 19.9575 3.32186 27.0562 100.48 19.9575 100.48 -11.0553 GPRESSAVG: 2575200 3.73377 4.20558 21.4781 3.95545 25.3861 100.433 20.7981 102.019 -11.7268 TIMING: 2575200 CPU: 8140.33, 0.00315612/step Wall: 8140.33, 0.00315612/step, 2.12582 hours remaining, 238.355469 MB of memory in use. ENERGY: 2575200 4023.7056 20397.3943 14398.9583 258.6939 -203280.7141 2336.5849 0.0000 0.0000 51597.6018 -110267.7752 296.5321 -161865.3770 -109914.1007 297.3556 -43.0252 -13.6187 761800.0921 5.9705 5.7977 PRESSURE: 2575400 -237.481 -375.699 79.7213 -375.699 -160.402 -167.477 79.7211 -167.477 -327.895 GPRESSURE: 2575400 -280.373 -453.937 144.815 -271.959 -86.4392 -62.3037 115.358 -87.1261 -283.547 PRESSAVG: 2575400 13.2628 -23.9895 74.0273 -23.9895 -51.366 59.3315 74.0273 59.3315 -24.7262 GPRESSAVG: 2575400 11.2788 -22.364 75.6594 -26.4642 -50.6632 59.5384 73.8328 58.997 -23.715 TIMING: 2575400 CPU: 8140.96, 0.00314253/step Wall: 8140.96, 0.00314253/step, 2.11649 hours remaining, 238.355469 MB of memory in use. ENERGY: 2575400 4021.7832 20293.6437 14502.4851 262.9282 -203887.7269 2770.0867 0.0000 0.0000 51886.3837 -110150.4163 298.1918 -162036.8000 -109780.7210 297.5672 -241.9257 -216.7864 761250.7341 -20.9431 -21.0331 PRESSURE: 2575600 257.472 51.9063 111.897 51.9064 21.9874 33.8282 111.897 33.8294 -169.589 GPRESSURE: 2575600 367.44 -3.88778 113.161 -11.3589 55.1982 151.84 32.8801 64.7922 -183.08 PRESSAVG: 2575600 -40.1608 -33.5227 73.9797 -33.5228 56.1107 59.291 73.9797 59.291 -14.213 GPRESSAVG: 2575600 -39.1382 -32.6753 72.7899 -31.5641 56.7364 59.3145 72.3996 56.9009 -15.8369 TIMING: 2575600 CPU: 8141.59, 0.00315411/step Wall: 8141.59, 0.00315411/step, 2.12412 hours remaining, 238.355469 MB of memory in use. ENERGY: 2575600 3937.4780 20425.3564 14348.0638 251.7426 -203838.8161 2702.3542 0.0000 0.0000 51950.4198 -110223.4013 298.5598 -162173.8211 -109856.4648 298.0568 36.6236 79.8529 760327.8825 0.5790 0.5871 PRESSURE: 2575800 278.009 75.597 -122.716 75.5965 -174.846 90.1401 -122.716 90.1402 90.2578 GPRESSURE: 2575800 303.017 38.7825 -87.1388 168.243 -112.734 96.3994 -164.734 -50.0806 100.24 PRESSAVG: 2575800 12.1306 -3.5005 84.353 -3.50053 36.3943 31.9488 84.3531 31.9488 5.03004 GPRESSAVG: 2575800 11.055 -5.00048 83.6108 -3.08099 36.5732 31.8025 83.7397 34.6545 6.14378 TIMING: 2575800 CPU: 8142.22, 0.00316179/step Wall: 8142.22, 0.00316179/step, 2.12912 hours remaining, 238.355469 MB of memory in use. ENERGY: 2575800 3979.0996 20466.7695 14459.2799 250.9604 -203900.3283 2708.8621 0.0000 0.0000 51976.6608 -110058.6960 298.7106 -162035.3567 -109695.6063 298.2520 64.4737 96.8411 759649.9269 17.8516 17.9240 PRESSURE: 2576000 -162.29 -80.0741 340.663 -80.074 -82.2661 -55.9856 340.662 -55.9855 -424.187 GPRESSURE: 2576000 -139.27 -104.814 349.925 -61.643 -54.6575 -12.4453 514.067 -62.0037 -402.225 PRESSAVG: 2576000 21.1999 36.2026 50.5368 36.2024 -11.1919 15.0529 50.5368 15.053 21.1358 GPRESSAVG: 2576000 22.0107 35.0053 51.1492 35.2654 -11.7312 15.9738 51.507 14.3549 20.6804 TIMING: 2576000 CPU: 8142.85, 0.003146/step Wall: 8142.85, 0.003146/step, 2.1183 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2576000 4024.1261 20494.8279 14405.2869 228.2954 -203553.7908 2469.2931 0.0000 0.0000 51990.4866 -109941.4749 298.7900 -161931.9614 -109575.3152 298.0714 -222.9142 -198.7173 759394.0922 10.3813 10.3200 PRESSURE: 2576200 -287.577 2.94461 80.6835 2.94523 -447.156 -139.639 80.6843 -139.638 -321.547 GPRESSURE: 2576200 -247.408 -40.8305 132.914 37.7272 -469.61 -177.083 227.512 -185.97 -266.265 PRESSAVG: 2576200 20.6094 -5.44548 51.8402 -5.44549 -21.3983 0.0460857 51.8403 0.0459744 0.0217539 GPRESSAVG: 2576200 21.4671 -5.1123 52.7264 -7.32449 -22.587 -3.30743 50.6953 0.843511 0.1625 TIMING: 2576200 CPU: 8143.48, 0.00315117/step Wall: 8143.48, 0.00315117/step, 2.12161 hours remaining, 238.355469 MB of memory in use. ENERGY: 2576200 3940.5235 20452.1247 14511.8795 248.9926 -203772.6153 2433.6980 0.0000 0.0000 52081.0931 -110104.3039 299.3108 -162185.3970 -109739.8359 297.9798 -352.0930 -327.7606 759437.2634 -0.2557 -0.3191 LDB: ============= START OF LOAD BALANCING ============== 8155.88 LDB: ============== END OF LOAD BALANCING =============== 8155.88 LDB: =============== DONE WITH MIGRATION ================ 8155.88 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 8156.2 LDB: Largest compute 7025 load 0.034858 is 17.8% of average load 0.195988 LDB: Average compute 0.004391 is 2.2% of average load 0.195988 LDB: TIME 8156.2 LOAD: AVG 0.195988 MAX 0.219874 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 8156.2 LOAD: AVG 0.195988 MAX 0.219874 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 8156.2 LOAD: AVG 0.195988 MAX 0.217154 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 8156.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8156.21 PRESSURE: 2576400 -317.695 -22.3102 -162.857 -22.31 232.304 91.1381 -162.858 91.1378 11.3193 GPRESSURE: 2576400 -253.16 24.2481 -197.12 51.2894 200.719 115.474 -104.908 9.84625 76.2525 PRESSAVG: 2576400 46.9989 -23.4002 8.65679 -23.4002 -15.1202 -24.6017 8.65679 -24.6018 11.8544 GPRESSAVG: 2576400 47.1462 -22.2673 7.85493 -19.7319 -15.1275 -23.7335 8.25748 -25.7043 11.7478 TIMING: 2576400 CPU: 8144.12, 0.00322538/step Wall: 8144.12, 0.00322538/step, 2.1714 hours remaining, 239.382812 MB of memory in use. ENERGY: 2576400 3923.8613 20437.7550 14432.8137 251.0858 -204052.4456 2806.0664 0.0000 0.0000 52126.7790 -110074.0844 299.5733 -162200.8634 -109710.6667 297.9260 -24.6906 7.9371 760392.3679 14.5777 14.5888 PRESSURE: 2576600 -324.976 242.364 -74.067 242.365 220.592 90.9129 -74.0669 90.9131 8.42356 GPRESSURE: 2576600 -232.779 62.0268 -99.6276 136.901 180.896 191.35 -15.0492 51.5348 26.877 PRESSAVG: 2576600 -38.2738 -23.8541 -4.6776 -23.8541 14.9162 -2.99196 -4.67754 -2.99189 10.6513 GPRESSAVG: 2576600 -38.9821 -24.923 -6.77569 -26.8665 14.3201 -1.01558 -2.12847 -3.57125 11.2802 TIMING: 2576600 CPU: 8144.76, 0.00315769/step Wall: 8144.76, 0.00315769/step, 2.12565 hours remaining, 239.453125 MB of memory in use. ENERGY: 2576600 4025.7947 20370.2128 14458.6475 256.5764 -203525.4043 2270.8588 0.0000 0.0000 52112.9355 -110030.3786 299.4938 -162143.3141 -109661.4748 297.8384 -31.9867 -8.3354 760735.2663 -4.2355 -4.4606 PRESSURE: 2576800 168.847 -186.219 -28.2242 -186.219 -443.688 -154.736 -28.2237 -154.737 -165.84 GPRESSURE: 2576800 148.891 -262.111 14.339 -131.064 -323.369 -66.2095 -74.4055 -181.143 -176.452 PRESSAVG: 2576800 -22.1069 -43.5087 2.50636 -43.5088 12.2901 17.1764 2.50635 17.1764 4.18754 GPRESSAVG: 2576800 -21.4926 -44.8362 4.57575 -41.9528 12.4177 15.6321 2.0772 18.9205 3.77089 TIMING: 2576800 CPU: 8145.39, 0.00317954/step Wall: 8145.39, 0.00317954/step, 2.14019 hours remaining, 239.453125 MB of memory in use. ENERGY: 2576800 3986.4412 20563.2049 14485.5583 258.8835 -203608.7228 2575.8064 0.0000 0.0000 51711.6296 -110027.1989 297.1874 -161738.8285 -109656.4973 298.4922 -146.8940 -116.9765 759982.9205 -1.8764 -1.7680 PRESSURE: 2577000 -202.164 21.219 172.805 21.2185 -75.3784 -137.405 172.805 -137.405 -176.367 GPRESSURE: 2577000 -106.502 -16.7621 128.288 -83.8971 -63.1453 -106.771 101.846 -151.983 -173.721 PRESSAVG: 2577000 2.04018 -6.90114 13.3889 -6.90111 -26.9425 -0.518335 13.3889 -0.518235 -0.669337 GPRESSAVG: 2577000 1.56472 -6.70866 13.6725 -6.60947 -25.9149 -0.577708 11.6125 -0.0948999 -0.730862 TIMING: 2577000 CPU: 8146.03, 0.0031757/step Wall: 8146.03, 0.0031757/step, 2.13742 hours remaining, 239.453125 MB of memory in use. ENERGY: 2577000 4083.1102 20517.8430 14419.6772 247.0516 -204035.2705 2794.8831 0.0000 0.0000 51896.4436 -110076.2618 298.2496 -161972.7054 -109714.8736 298.3092 -151.3029 -114.4560 760218.4062 -8.5239 -8.3603 PRESSURE: 2577200 -212.449 76.8906 -155.705 76.8905 -143.537 67.2308 -155.704 67.2309 248.957 GPRESSURE: 2577200 -152.04 22.1808 -91.4797 -107.501 -17.9128 59.0813 -90.3717 102.012 154.134 PRESSAVG: 2577200 -2.17824 -17.5687 20.4326 -17.5687 21.2153 37.9325 20.4326 37.9325 0.611478 GPRESSAVG: 2577200 -1.07671 -16.8271 18.4678 -20.136 20.8218 39.2685 22.2614 37.5635 -0.109664 TIMING: 2577200 CPU: 8146.66, 0.00315945/step Wall: 8146.66, 0.00315945/step, 2.12631 hours remaining, 239.453125 MB of memory in use. ENERGY: 2577200 4016.2034 20510.9955 14459.6165 259.2461 -203655.3007 2477.9701 0.0000 0.0000 51765.0100 -110166.2592 297.4942 -161931.2692 -109809.1323 298.2403 -35.6763 -5.2728 759533.6109 6.5495 6.5451 PRESSURE: 2577400 140.012 117.286 84.9413 117.286 60.5452 73.5327 84.9406 73.5339 143.091 GPRESSURE: 2577400 183.709 204.029 42.6908 43.192 111.549 56.4986 27.7241 191.349 142.779 PRESSAVG: 2577400 15.2773 -15.6266 48.2394 -15.6265 -11.9961 11.0172 48.2394 11.0172 -25.2856 GPRESSAVG: 2577400 14.2244 -15.5972 50.0501 -12.7879 -11.0632 10.2422 48.1143 10.205 -24.888 TIMING: 2577400 CPU: 8147.29, 0.00316826/step Wall: 8147.29, 0.00316826/step, 2.13206 hours remaining, 239.453125 MB of memory in use. ENERGY: 2577400 3983.6731 20639.0648 14456.3492 253.5983 -204196.2227 2809.9396 0.0000 0.0000 51922.5173 -110131.0804 298.3994 -162053.5977 -109779.9225 298.0737 114.5493 146.0125 758419.2919 -7.3348 -7.2423 PRESSURE: 2577600 -108.449 126.791 97.5526 126.79 -340.577 176.355 97.5523 176.355 204.602 GPRESSURE: 2577600 -62.4629 42.7395 74.172 72.0585 -363.547 196.859 35.0387 90.97 273.295 PRESSAVG: 2577600 21.3003 -14.0068 -2.67313 -14.0068 -14.0346 -7.15188 -2.67311 -7.15186 -20.9958 GPRESSAVG: 2577600 21.3837 -14.0678 -3.16252 -15.3786 -16.1519 -5.75606 -3.81179 -5.37772 -19.4077 TIMING: 2577600 CPU: 8147.93, 0.00318089/step Wall: 8147.93, 0.00318089/step, 2.14038 hours remaining, 239.453125 MB of memory in use. ENERGY: 2577600 3909.5825 20542.4264 14456.2599 234.4062 -203293.2947 2190.2992 0.0000 0.0000 51816.9785 -110143.3420 297.7929 -161960.3205 -109773.0365 298.1676 -81.4746 -50.9050 757914.3313 -4.5767 -4.7253 PRESSURE: 2577800 244.641 11.1854 -40.8682 11.1851 146.021 -46.9783 -40.8676 -46.9782 -103.313 GPRESSURE: 2577800 347.766 4.48066 -44.9123 -89.7383 169.77 -51.3063 -98.1501 -27.3826 -115.55 PRESSAVG: 2577800 27.7808 7.52341 10.277 7.5234 -4.94268 -20.8619 10.2771 -20.8618 -16.5037 GPRESSAVG: 2577800 27.578 8.68497 11.3264 6.87563 -3.99757 -21.7187 11.5501 -23.5587 -17.2426 TIMING: 2577800 CPU: 8148.56, 0.00317493/step Wall: 8148.56, 0.00317493/step, 2.1362 hours remaining, 239.453125 MB of memory in use. ENERGY: 2577800 3929.4770 20554.7397 14446.9949 250.7929 -203829.7391 2756.6804 0.0000 0.0000 51952.2252 -109938.8290 298.5702 -161891.0542 -109570.5121 298.4258 95.7828 133.9953 758524.9028 2.1114 2.1126 PRESSURE: 2578000 -30.197 -30.6616 53.411 -30.6612 -118.804 -155.943 53.4102 -155.942 -15.8477 GPRESSURE: 2578000 14.2595 -59.5762 3.66023 -45.4439 -96.8968 -158.369 -47.254 -192.011 17.2568 PRESSAVG: 2578000 -11.7992 0.875544 -15.457 0.875535 10.6706 34.1522 -15.457 34.1523 22.9643 GPRESSAVG: 2578000 -11.9362 -1.50125 -17.8536 2.98912 10.9319 35.1004 -16.7818 35.5248 23.144 TIMING: 2578000 CPU: 8149.2, 0.00318292/step Wall: 8149.2, 0.00318292/step, 2.1414 hours remaining, 239.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2578000 4022.1020 20750.3841 14382.6466 242.3777 -203238.3715 2212.4488 0.0000 0.0000 51891.7152 -109736.6971 298.2224 -161628.4123 -109378.2712 299.0204 -54.9495 -21.7935 760847.0898 7.2786 7.3799 PRESSURE: 2578200 195.046 -228.178 -148.277 -228.177 -348.941 -34.1745 -148.277 -34.1754 9.96037 GPRESSURE: 2578200 245.677 -232.179 -213.543 -131.458 -355.008 -54.3896 -43.7143 -170.78 41.7218 PRESSAVG: 2578200 -6.59057 5.80215 15.7461 5.80213 34.822 -0.0857329 15.7462 -0.0857323 -11.0593 GPRESSAVG: 2578200 -6.71302 8.35594 16.6783 5.19661 33.996 -2.07784 15.884 -0.731355 -10.6433 TIMING: 2578200 CPU: 8149.83, 0.00315137/step Wall: 8149.83, 0.00315137/step, 2.12 hours remaining, 239.453125 MB of memory in use. ENERGY: 2578200 4019.4259 20673.3394 14469.4399 250.7376 -203757.4251 2656.6544 0.0000 0.0000 52037.8051 -109650.0228 299.0620 -161687.8280 -109275.7087 299.4681 -47.9781 -22.5364 760847.6002 5.7240 5.5466 PRESSURE: 2578400 -260.539 148.492 119.118 148.492 -72.7146 29.566 119.118 29.5639 51.6773 GPRESSURE: 2578400 -170.56 140.224 166.981 92.3474 -81.5916 44.5381 107.782 -70.5022 44.1474 PRESSAVG: 2578400 21.106 42.9229 13.0784 42.9229 -7.30578 32.3346 13.0784 32.3345 -44.1104 GPRESSAVG: 2578400 21.8678 42.4282 12.9577 42.7174 -5.59964 32.704 14.0179 32.7974 -46.4119 TIMING: 2578400 CPU: 8150.46, 0.00315929/step Wall: 8150.46, 0.00315929/step, 2.12515 hours remaining, 239.453125 MB of memory in use. ENERGY: 2578400 4057.3880 20679.8278 14484.2765 255.1595 -204031.7784 2605.0260 0.0000 0.0000 52359.2651 -109590.8355 300.9094 -161950.1007 -109224.4343 299.7370 -93.8588 -69.3346 760025.9520 -10.1034 -10.0479 PRESSURE: 2578600 -166.588 -192.666 -49.412 -192.666 48.3625 77.5159 -49.4125 77.5172 -48.1491 GPRESSURE: 2578600 -113.07 -226.455 -5.80646 -345.815 6.76984 -6.20257 -64.2147 7.86083 46.4983 PRESSAVG: 2578600 54.0236 2.34889 1.50386 2.34891 14.7677 -23.9585 1.50388 -23.9586 15.8173 GPRESSAVG: 2578600 53.2554 1.15219 1.07789 2.64003 13.4544 -24.8667 0.301577 -23.9621 17.9118 TIMING: 2578600 CPU: 8151.1, 0.00316532/step Wall: 8151.1, 0.00316532/step, 2.12903 hours remaining, 239.453125 MB of memory in use. ENERGY: 2578600 4039.0039 20853.6058 14416.1559 247.2517 -203628.9807 2424.9900 0.0000 0.0000 51936.2314 -109711.7420 298.4782 -161647.9734 -109344.8178 299.7160 -55.4581 -19.9338 759426.8091 28.2028 28.2072 PRESSURE: 2578800 282.228 -191.273 186.107 -191.274 -55.1181 -32.4275 186.107 -32.4269 -141.887 GPRESSURE: 2578800 339.068 -96.9047 271.461 -194.177 -167.065 42.3301 39.9857 -2.41171 -3.95738 PRESSAVG: 2578800 12.4248 -26.5199 43.5216 -26.52 -17.9542 -55.5529 43.5217 -55.5529 -4.78448 GPRESSAVG: 2578800 11.5968 -25.6908 44.502 -26.0331 -17.5535 -54.4299 42.4428 -55.7457 -4.35789 TIMING: 2578800 CPU: 8151.73, 0.0031679/step Wall: 8151.73, 0.0031679/step, 2.13059 hours remaining, 239.453125 MB of memory in use. ENERGY: 2578800 4028.9396 20712.8548 14398.4790 243.4775 -203323.5468 2385.2473 0.0000 0.0000 51899.7536 -109654.7951 298.2686 -161554.5486 -109300.7449 298.9367 28.4075 56.0152 760965.6238 -3.4380 -3.4382 PRESSURE: 2579000 120.368 -113.714 -118.166 -113.715 23.6598 86.3737 -118.165 86.3737 -401.93 GPRESSURE: 2579000 136.009 -159.932 -134.785 -169.533 80.4161 62.0953 -16.5937 76.4948 -384.33 PRESSAVG: 2579000 -13.65 -13.2547 50.2093 -13.2548 -8.21936 -5.6046 50.2092 -5.60457 12.4777 GPRESSAVG: 2579000 -13.4921 -14.3667 49.9039 -12.3577 -7.23718 -5.61253 51.6348 -4.81178 11.3239 TIMING: 2579000 CPU: 8152.37, 0.0031964/step Wall: 8152.37, 0.0031964/step, 2.14958 hours remaining, 239.453125 MB of memory in use. ENERGY: 2579000 3998.1868 20528.6929 14435.2763 246.2124 -203638.5789 2402.3726 0.0000 0.0000 52191.7342 -109836.1037 299.9466 -162027.8380 -109455.1559 299.3768 -85.9674 -55.9681 760404.7545 -3.1306 -3.1351 PRESSURE: 2579200 154.481 -1.37019 213.155 -1.37051 96.9109 -196.732 213.156 -196.732 407.637 GPRESSURE: 2579200 129.068 1.50582 226.825 97.4196 162.958 -94.8111 121.39 -275.799 451.774 PRESSAVG: 2579200 -7.35352 8.98297 -32.9313 8.98302 -44.1181 -42.963 -32.9313 -42.9629 -10.7995 GPRESSAVG: 2579200 -7.41884 8.43377 -31.7948 7.42449 -44.63 -41.9253 -32.3978 -45.9025 -10.7256 TIMING: 2579200 CPU: 8153, 0.00317005/step Wall: 8153, 0.00317005/step, 2.13168 hours remaining, 239.453125 MB of memory in use. ENERGY: 2579200 3966.2361 20658.3158 14425.1815 247.1600 -203945.1136 2650.1296 0.0000 0.0000 51956.8063 -110041.2844 298.5965 -161998.0907 -109671.6091 298.9106 219.6761 247.9333 760340.1307 -20.7571 -20.9248 PRESSURE: 2579400 -289.568 -28.8069 53.3993 -28.8069 -5.23076 69.4918 53.3989 69.4915 -449.952 GPRESSURE: 2579400 -236.441 -111.966 76.373 18.6829 -113.476 22.9923 -0.427316 124.616 -326.091 PRESSAVG: 2579400 33.8165 -28.8621 7.90613 -28.8621 -41.3024 -31.9431 7.90608 -31.9432 -16.7346 GPRESSAVG: 2579400 32.923 -29.0632 8.31297 -26.7483 -40.2505 -34.6378 6.56142 -29.4685 -16.3213 TIMING: 2579400 CPU: 8153.63, 0.00313618/step Wall: 8153.63, 0.00313618/step, 2.10873 hours remaining, 239.453125 MB of memory in use. ENERGY: 2579400 4060.4966 20697.3228 14454.0720 268.5123 -203727.2596 2366.6524 0.0000 0.0000 51913.3654 -109966.8380 298.3468 -161880.2034 -109600.9546 298.8500 -248.2504 -225.3363 760213.4768 -8.0735 -7.8829 PRESSURE: 2579600 162.709 -36.2455 -86.3357 -36.2451 -117.245 10.6231 -86.3347 10.6215 46.3834 GPRESSURE: 2579600 192.376 -35.8573 -90.6705 -24.0137 -98.1016 6.11221 70.9015 102.663 93.7696 PRESSAVG: 2579600 -14.6999 2.37126 -12.042 2.37128 23.174 26.188 -12.042 26.1879 12.7757 GPRESSAVG: 2579600 -13.4228 2.2248 -13.7611 1.62316 22.4708 28.2668 -12.1558 25.9421 12.5985 TIMING: 2579600 CPU: 8154.26, 0.00315994/step Wall: 8154.26, 0.00315994/step, 2.12453 hours remaining, 239.453125 MB of memory in use. ENERGY: 2579600 4044.1450 20523.0602 14421.4162 254.0005 -203272.6888 2202.0574 0.0000 0.0000 51961.2367 -109866.7726 298.6219 -161828.0093 -109495.8449 298.5735 30.6158 62.6812 759540.2018 7.0833 7.2155 PRESSURE: 2579800 -61.6283 65.0698 174.073 65.0699 -96.7174 -140.579 174.072 -140.578 -186.192 GPRESSURE: 2579800 -63.5622 130.264 168.054 196.113 -55.4396 -54.5523 117.886 -76.7265 -126.538 PRESSAVG: 2579800 -33.6383 -26.2972 -7.27083 -26.2972 18.3936 -40.7338 -7.27077 -40.7337 -9.68946 GPRESSAVG: 2579800 -35.3986 -23.5134 -6.53103 -27.4267 19.2254 -39.6542 -6.89748 -40.4449 -8.57039 TIMING: 2579800 CPU: 8154.89, 0.00314784/step Wall: 8154.89, 0.00314784/step, 2.11622 hours remaining, 239.453125 MB of memory in use. ENERGY: 2579800 3962.5409 20465.8529 14443.2595 244.9129 -203319.0962 2286.3191 0.0000 0.0000 52012.1679 -109904.0430 298.9146 -161916.2110 -109535.5123 298.0991 -114.8460 -81.8467 760485.2918 -8.3114 -8.2479 PRESSURE: 2580000 304.306 203.243 -18.8282 203.244 265.205 213.936 -18.8287 213.936 362.783 GPRESSURE: 2580000 388.933 180.51 -9.69448 169.468 335.722 165.144 -82.291 142.487 289.718 PRESSAVG: 2580000 29.8238 9.40432 61.7827 9.40435 -5.18676 1.47581 61.7826 1.47579 -18.6118 GPRESSAVG: 2580000 30.2386 9.46236 63.2126 7.84133 -5.93106 -0.0818341 63.2651 -0.0524695 -19.127 TIMING: 2580000 CPU: 8155.52, 0.00315321/step Wall: 8155.52, 0.00315321/step, 2.11966 hours remaining, 239.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2580000 4045.9228 20366.7414 14449.4054 260.3791 -203881.0845 2791.3675 0.0000 0.0000 51881.9280 -110085.3402 298.1662 -161967.2683 -109722.7593 298.5134 310.7648 338.1243 760363.3151 2.0084 1.7269 PRESSURE: 2580200 -90.405 396.09 -52.4375 396.091 -336.93 -122.239 -52.4376 -122.239 -628.089 GPRESSURE: 2580200 -73.3696 304.432 -45.5404 213.356 -233.39 -66.0537 -68.5366 -36.7201 -670.9 PRESSAVG: 2580200 44.0173 17.4091 32.5492 17.4091 -34.2652 -34.0288 32.5492 -34.0288 -2.8821 GPRESSAVG: 2580200 44.4577 15.3408 33.0014 19.112 -34.1744 -32.8972 30.6051 -34.7775 -3.28168 TIMING: 2580200 CPU: 8156.15, 0.00315161/step Wall: 8156.15, 0.00315161/step, 2.11841 hours remaining, 239.453125 MB of memory in use. ENERGY: 2580200 3975.8309 20612.3238 14466.1356 241.3479 -203501.8817 2416.0262 0.0000 0.0000 51779.4638 -110010.7536 297.5773 -161790.2174 -109647.8521 297.9699 -351.8081 -325.8863 762018.3599 2.2900 2.3339 LDB: ============= START OF LOAD BALANCING ============== 8168.55 LDB: ============== END OF LOAD BALANCING =============== 8168.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8168.55 LDB: ============= START OF LOAD BALANCING ============== 8168.87 LDB: Largest compute 7043 load 0.033657 is 17.2% of average load 0.196059 LDB: Average compute 0.004374 is 2.2% of average load 0.196059 LDB: TIME 8168.87 LOAD: AVG 0.196059 MAX 0.214846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 8168.87 LOAD: AVG 0.196059 MAX 0.214846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: TIME 8168.87 LOAD: AVG 0.196059 MAX 0.214846 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: ============== END OF LOAD BALANCING =============== 8168.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8168.88 PRESSURE: 2580400 93.8599 -67.7528 83.4664 -67.7521 56.6001 -134.042 83.467 -134.04 -29.2388 GPRESSURE: 2580400 155.147 -18.818 -16.6521 -25.9038 127.97 -198.422 129.361 -10.6337 -69.6012 PRESSAVG: 2580400 46.7194 -12.0909 63.785 -12.0909 -48.892 10.8159 63.7849 10.816 -5.77923 GPRESSAVG: 2580400 45.7675 -8.8144 62.2271 -14.4595 -47.8891 10.4552 65.8633 10.122 -5.90344 TIMING: 2580400 CPU: 8156.8, 0.00321689/step Wall: 8156.8, 0.00321689/step, 2.16211 hours remaining, 237.128906 MB of memory in use. ENERGY: 2580400 4005.4024 20459.0792 14410.0757 255.0480 -203689.3051 2793.2406 0.0000 0.0000 51720.2265 -110046.2326 297.2369 -161766.4591 -109688.8023 298.4333 40.4071 71.1719 760673.7716 -2.6506 -2.6750 PRESSURE: 2580600 -111.513 229.111 -96.9396 229.112 209.227 108.63 -96.9392 108.629 -93.3052 GPRESSURE: 2580600 -60.969 181.79 -91.9908 340.434 233.065 187.669 -69.9215 93.5733 -65.5861 PRESSAVG: 2580600 9.96395 27.6334 29.9411 27.6333 -9.85168 36.0737 29.9411 36.0737 1.36436 GPRESSAVG: 2580600 11.3803 25.4024 29.9686 30.5736 -10.9567 37.1303 28.2956 35.5484 1.19444 TIMING: 2580600 CPU: 8157.43, 0.00316546/step Wall: 8157.43, 0.00316546/step, 2.12737 hours remaining, 237.128906 MB of memory in use. ENERGY: 2580600 3966.7927 20618.2339 14458.3508 241.8701 -203659.9783 2303.9737 0.0000 0.0000 51969.7208 -110101.0364 298.6707 -162070.7571 -109739.2537 298.1046 1.4696 35.5033 760001.0055 0.4922 0.5393 PRESSURE: 2580800 11.3493 -30.6169 -41.0957 -30.6157 -341.456 -38.1359 -41.0947 -38.1359 371.84 GPRESSURE: 2580800 130.699 -10.0292 -122.121 -92.9966 -351.051 -48.936 -1.71886 -44.9243 354.623 PRESSAVG: 2580800 20.5575 22.3229 20.9614 22.3229 -6.99563 -47.7223 20.9614 -47.7223 22.1556 GPRESSAVG: 2580800 19.2513 23.5758 19.7631 20.5838 -6.81152 -48.9322 20.6793 -43.5635 22.2189 TIMING: 2580800 CPU: 8158.06, 0.00314661/step Wall: 8158.06, 0.00314661/step, 2.11452 hours remaining, 237.128906 MB of memory in use. ENERGY: 2580800 3950.4345 20642.9200 14498.2479 249.6272 -203764.6885 2480.8791 0.0000 0.0000 52192.9630 -109749.6168 299.9537 -161942.5798 -109377.5311 298.8474 13.9110 44.7570 760911.2438 11.9058 11.5529 PRESSURE: 2581000 -75.1963 -97.7291 9.2022 -97.7292 166.01 -288.418 9.2029 -288.419 2.20225 GPRESSURE: 2581000 -12.5447 -111.31 0.135125 15.6407 220.004 -277.305 30.7737 -135.326 -32.4071 PRESSAVG: 2581000 69.4315 -26.7462 30.103 -26.7463 -66.0399 6.89702 30.103 6.89691 -5.13712 GPRESSAVG: 2581000 69.0399 -26.0502 32.6499 -23.6451 -65.3046 7.6903 30.9873 4.63159 -5.35975 TIMING: 2581000 CPU: 8158.69, 0.00315083/step Wall: 8158.69, 0.00315083/step, 2.11718 hours remaining, 237.128906 MB of memory in use. ENERGY: 2581000 4006.0432 20745.5925 14454.1274 241.0861 -203644.9479 2515.0764 0.0000 0.0000 51760.1874 -109922.8350 297.4665 -161683.0224 -109578.4227 298.9723 31.0053 58.3508 760296.7393 -0.5819 -0.5415 PRESSURE: 2581200 131.42 23.0152 -39.5947 23.0155 -70.5079 -118.515 -39.5948 -118.516 149.221 GPRESSURE: 2581200 230.077 -87.8177 -61.5651 -54.1021 -72.7199 -74.908 -59.068 -154.173 125.9 PRESSAVG: 2581200 62.6574 16.1234 51.7697 16.1235 -6.1288 2.01352 51.7697 2.01363 25.6911 GPRESSAVG: 2581200 63.8787 16.0941 51.3931 14.5459 -7.4118 1.78214 52.2867 1.93344 25.4664 TIMING: 2581200 CPU: 8159.32, 0.0031454/step Wall: 8159.32, 0.0031454/step, 2.11336 hours remaining, 237.128906 MB of memory in use. ENERGY: 2581200 3996.9738 20550.3254 14423.7831 243.2129 -203414.0076 2242.1759 0.0000 0.0000 52063.2486 -109894.2880 299.2082 -161957.5366 -109524.6294 298.8400 70.0442 94.4190 758690.7189 27.4066 27.3111 PRESSURE: 2581400 -368.774 57.7973 56.2769 57.7974 189.046 -149.573 56.2782 -149.572 -95.2362 GPRESSURE: 2581400 -346.882 79.1251 38.4532 -1.71533 216.36 -121.666 259.813 -231.117 -42.5471 PRESSAVG: 2581400 -48.4895 1.94656 -2.21626 1.94654 22.6347 1.21749 -2.21627 1.21741 -24.888 GPRESSAVG: 2581400 -49.9449 -0.553518 -2.23644 1.81697 23.5645 0.769159 -4.78353 1.93326 -24.5647 TIMING: 2581400 CPU: 8159.95, 0.00314346/step Wall: 8159.95, 0.00314346/step, 2.11188 hours remaining, 237.128906 MB of memory in use. ENERGY: 2581400 3976.5715 20495.3315 14404.4210 250.4483 -203919.0327 2653.3999 0.0000 0.0000 52090.8156 -110048.0450 299.3666 -162138.8605 -109697.0152 298.9703 -91.6549 -57.6897 758671.1832 -16.9143 -16.9817 PRESSURE: 2581600 -138.846 150.401 50.7868 150.402 31.3977 -221.329 50.7868 -221.328 -242.36 GPRESSURE: 2581600 -179.007 42.9435 21.0917 133.678 146.8 -189.251 18.5034 -113.431 -251.873 PRESSAVG: 2581600 0.711438 -2.93088 12.7603 -2.9309 18.4088 -8.15111 12.7603 -8.15119 -22.1435 GPRESSAVG: 2581600 1.79566 -2.51616 10.9417 -0.407982 16.5662 -9.04999 16.2576 -6.89831 -21.2622 TIMING: 2581600 CPU: 8160.58, 0.00315937/step Wall: 8160.58, 0.00315937/step, 2.1224 hours remaining, 237.128906 MB of memory in use. ENERGY: 2581600 3981.7339 20490.8390 14454.0709 255.0940 -203458.1890 2237.1398 0.0000 0.0000 52138.4713 -109900.8402 299.6405 -162039.3115 -109514.4717 298.3388 -116.6028 -94.6931 759414.5408 -1.0078 -0.9668 PRESSURE: 2581800 -192.259 -49.6415 -192.692 -49.6415 -300.866 53.6428 -192.692 53.6421 -391.753 GPRESSURE: 2581800 -241.1 -19.213 -203.019 -94.3211 -285.788 -14.0384 -94.2962 64.9414 -272.194 PRESSAVG: 2581800 -10.9694 10.4338 1.99614 10.4338 -34.9628 -16.4052 1.99614 -16.4052 4.6375 GPRESSAVG: 2581800 -11.6173 11.8297 2.0907 8.09706 -32.9059 -14.9336 -0.0649299 -16.8793 3.34765 TIMING: 2581800 CPU: 8161.21, 0.00314937/step Wall: 8161.21, 0.00314937/step, 2.1155 hours remaining, 237.128906 MB of memory in use. ENERGY: 2581800 4041.5207 20658.6043 14475.9249 243.2675 -203548.4215 2486.6890 0.0000 0.0000 51725.2059 -109917.2092 297.2655 -161642.4151 -109561.5904 298.8156 -294.9591 -266.3605 760645.9655 -13.7649 -13.7252 PRESSURE: 2582000 1.49296 -47.778 -257.421 -47.7784 25.7195 142.052 -257.421 142.052 18.3001 GPRESSURE: 2582000 -18.4965 -85.1007 -221.077 -30.0528 106.223 165.426 -198.757 146.931 45.547 PRESSAVG: 2582000 56.7142 -24.9645 -15.2043 -24.9644 -43.3982 12.8006 -15.2043 12.8006 -15.7053 GPRESSAVG: 2582000 56.9033 -25.1804 -13.4308 -24.1317 -43.72 12.8102 -13.673 11.6465 -14.9445 TIMING: 2582000 CPU: 8161.84, 0.00316222/step Wall: 8161.84, 0.00316222/step, 2.12396 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2582000 4028.6136 20417.2674 14536.7497 251.2110 -203856.5189 2673.6182 0.0000 0.0000 52016.4273 -109932.6316 298.9391 -161949.0589 -109568.7323 298.8033 15.1708 44.4246 760406.1843 -0.7964 -0.5870 PRESSURE: 2582200 -166.878 92.4442 195.803 92.4442 4.86717 -284.246 195.803 -284.245 197.763 GPRESSURE: 2582200 -100.841 99.1112 171.295 43.4193 -9.81397 -363.524 281.084 -290.888 194.382 PRESSAVG: 2582200 -32.3495 -62.6414 13.1854 -62.6413 8.45526 -19.6722 13.1855 -19.6721 -6.77173 GPRESSAVG: 2582200 -32.3279 -63.5662 12.4995 -63.0487 7.39616 -20.7537 13.5907 -19.9151 -6.24877 TIMING: 2582200 CPU: 8162.47, 0.00314129/step Wall: 8162.47, 0.00314129/step, 2.10973 hours remaining, 237.128906 MB of memory in use. ENERGY: 2582200 4005.1935 20686.6740 14541.5147 238.3629 -203981.7187 2663.2650 0.0000 0.0000 52091.2987 -109755.4099 299.3694 -161846.7086 -109402.4803 299.1102 11.9174 27.9088 762215.6430 -10.2220 -10.3935 PRESSURE: 2582400 -31.6533 -172.811 67.0438 -172.811 -461.061 -10.2427 67.0429 -10.2427 146.978 GPRESSURE: 2582400 -28.0188 -217.121 -13.6483 -216.083 -402.811 42.9949 13.5721 -12.8853 150.449 PRESSAVG: 2582400 -20.8431 -34.9587 2.39061 -34.9587 6.29422 -7.54408 2.39062 -7.54417 18.6845 GPRESSAVG: 2582400 -19.9355 -34.7282 2.02648 -35.7245 6.54206 -6.09166 3.54037 -7.66652 17.7797 TIMING: 2582400 CPU: 8163.1, 0.00314629/step Wall: 8163.1, 0.00314629/step, 2.11291 hours remaining, 237.128906 MB of memory in use. ENERGY: 2582400 4013.4405 20635.3269 14493.4878 243.1118 -203539.6527 2327.6369 0.0000 0.0000 52030.5235 -109796.1253 299.0201 -161826.6488 -109430.7499 299.0119 -115.2454 -93.4603 760599.5095 1.3785 1.4621 PRESSURE: 2582600 -21.0362 -208.772 153.777 -208.771 -106.415 5.41351 153.777 5.41312 107.731 GPRESSURE: 2582600 75.9372 -131.094 152.387 -99.9119 -158.9 45.6592 150.449 -22.7574 146.22 PRESSAVG: 2582600 7.97697 -75.4393 8.30625 -75.4394 -44.8453 0.600184 8.30627 0.600146 -2.0949 GPRESSAVG: 2582600 8.08704 -76.1716 7.88332 -74.3966 -45.8951 0.727664 6.93178 1.61367 -1.27852 TIMING: 2582600 CPU: 8163.72, 0.00313808/step Wall: 8163.72, 0.00313808/step, 2.10722 hours remaining, 237.128906 MB of memory in use. ENERGY: 2582600 4066.4672 20606.5984 14426.0423 227.9730 -203912.2950 2671.6514 0.0000 0.0000 52171.2211 -109742.3416 299.8287 -161913.5627 -109377.8904 299.1768 -6.5736 21.0857 760131.3931 -12.9877 -13.0289 PRESSURE: 2582800 413.728 76.2684 9.609 76.2686 -213.611 -2.03694 9.60863 -2.03771 396.203 GPRESSURE: 2582800 358.526 29.1501 10.5693 92.6995 -156.085 -29.0116 119.387 -18.2241 490.118 PRESSAVG: 2582800 30.3477 4.66693 -4.54107 4.66693 -1.11321 20.0872 -4.54108 20.0873 17.9652 GPRESSAVG: 2582800 30.5406 4.72694 -3.7074 3.29335 1.07831 18.8576 -2.23836 18.7689 16.2818 TIMING: 2582800 CPU: 8164.35, 0.00313636/step Wall: 8164.35, 0.00313636/step, 2.10589 hours remaining, 237.128906 MB of memory in use. ENERGY: 2582800 4027.6828 20497.4293 14453.5479 245.6139 -203700.2423 2779.7788 0.0000 0.0000 52073.7871 -109622.4027 299.2688 -161696.1897 -109271.9750 299.2488 198.7733 230.8532 759771.0787 15.7332 15.9669 PRESSURE: 2583000 81.0304 81.5861 29.3234 81.5861 265.924 224.558 29.3227 224.558 -48.7183 GPRESSURE: 2583000 100.719 79.1036 36.7401 74.1986 282.725 185.232 -101.741 61.5983 -14.0203 PRESSAVG: 2583000 25.1524 -15.643 3.87855 -15.643 -2.25985 22.3693 3.8786 22.3693 -15.5778 GPRESSAVG: 2583000 25.2738 -14.7022 3.97437 -13.9633 -3.96455 24.4173 0.596808 22.3551 -14.1232 TIMING: 2583000 CPU: 8164.98, 0.00314102/step Wall: 8164.98, 0.00314102/step, 2.10885 hours remaining, 237.128906 MB of memory in use. ENERGY: 2583000 4021.6420 20689.3550 14435.5172 243.3989 -203488.5104 2585.3089 0.0000 0.0000 52052.0354 -109461.2530 299.1438 -161513.2884 -109103.3820 299.8416 99.4121 123.1411 759252.2579 2.4383 2.3953 PRESSURE: 2583200 -161.308 -18.7979 320.991 -18.7976 105.349 74.9515 320.991 74.9518 -117.083 GPRESSURE: 2583200 -197.137 -24.0145 359.5 -91.2734 202.061 126.005 243.79 -41.5049 -75.4798 PRESSAVG: 2583200 29.7967 17.0289 0.965807 17.0289 -9.17126 -35.3553 0.965808 -35.3553 2.18814 GPRESSAVG: 2583200 29.8922 17.3033 0.467541 16.041 -8.59515 -36.6906 1.88842 -35.9843 1.68855 TIMING: 2583200 CPU: 8165.61, 0.00312501/step Wall: 8165.61, 0.00312501/step, 2.09793 hours remaining, 237.128906 MB of memory in use. ENERGY: 2583200 4029.7563 20629.6846 14393.1702 244.7589 -203584.5524 2488.3550 0.0000 0.0000 52214.0875 -109584.7400 300.0751 -161798.8275 -109220.6175 299.7660 -57.6805 -23.5186 760020.2044 7.6045 7.6619 PRESSURE: 2583400 -1.40872 117.894 44.5943 117.893 -47.349 -57.1622 44.5944 -57.1623 -113.576 GPRESSURE: 2583400 36.1278 135.242 64.0846 92.6037 21.8379 -91.2277 52.039 49.6014 -108.178 PRESSAVG: 2583400 35.4246 -29.0108 -1.82008 -29.0108 -83.3565 -42.1846 -1.82008 -42.1847 -30.822 GPRESSAVG: 2583400 35.4124 -29.9506 -2.84185 -29.1786 -83.9673 -41.7331 -0.754349 -39.4095 -29.9617 TIMING: 2583400 CPU: 8166.24, 0.00314978/step Wall: 8166.24, 0.00314978/step, 2.11437 hours remaining, 237.128906 MB of memory in use. ENERGY: 2583400 3938.8307 20459.2451 14311.4746 224.9669 -203416.2557 2654.4256 0.0000 0.0000 52131.7988 -109695.5141 299.6022 -161827.3129 -109338.8394 299.2374 -54.1113 -16.7376 760719.7491 -26.2513 -26.1722 PRESSURE: 2583600 274.594 117.729 -361.991 117.729 -176.697 -244.271 -361.991 -244.272 58.2122 GPRESSURE: 2583600 183.949 103.848 -331.268 175.905 -64.3151 -305.585 -278.939 -261.907 114.491 PRESSAVG: 2583600 24.413 17.8167 -9.58361 17.8167 -11.7736 -36.7483 -9.58363 -36.7483 -9.8571 GPRESSAVG: 2583600 24.4151 19.3508 -8.60081 17.4408 -11.0695 -36.0708 -9.41712 -38.8596 -10.3728 TIMING: 2583600 CPU: 8166.87, 0.00315663/step Wall: 8166.87, 0.00315663/step, 2.1188 hours remaining, 237.128906 MB of memory in use. ENERGY: 2583600 4014.5658 20514.6811 14418.2972 243.9873 -203784.1334 2741.2281 0.0000 0.0000 52207.6196 -109643.7543 300.0379 -161851.3739 -109285.6133 299.4530 52.0362 78.0419 760651.3426 0.9274 0.9910 PRESSURE: 2583800 46.1401 -185.189 -176.792 -185.189 94.7982 -117.197 -176.791 -117.197 -133.261 GPRESSURE: 2583800 144.441 -169.41 -247.215 -54.0485 47.3707 -43.7887 -152.811 -107.762 -108.937 PRESSAVG: 2583800 -6.13041 41.7084 -85.9554 41.7083 -5.61289 0.118182 -85.9554 0.11815 -14.6865 GPRESSAVG: 2583800 -6.50668 39.9805 -87.6145 44.5871 -6.79114 -1.48493 -85.8909 1.91967 -13.281 TIMING: 2583800 CPU: 8167.5, 0.00316523/step Wall: 8167.5, 0.00316523/step, 2.1244 hours remaining, 237.128906 MB of memory in use. ENERGY: 2583800 4005.9844 20532.0774 14408.0121 216.4446 -203442.3287 2535.2096 0.0000 0.0000 52015.3977 -109729.2029 298.9332 -161744.6006 -109358.3143 299.1891 2.5591 27.6248 760272.7916 -8.8099 -8.8596 PRESSURE: 2584000 -183.869 77.738 128.059 77.7376 -267.603 -78.7909 128.061 -78.7906 26.036 GPRESSURE: 2584000 -181.907 -9.14428 70.5024 -9.23294 -216.506 -147.351 137.34 17.4896 54.8859 PRESSAVG: 2584000 47.0746 -24.9744 -51.0515 -24.9743 -37.4929 32.2358 -51.0515 32.2357 11.9138 GPRESSAVG: 2584000 47.8351 -23.8398 -49.2574 -26.8402 -37.904 34.3267 -53.1819 31.0445 11.3719 TIMING: 2584000 CPU: 8168.13, 0.00316193/step Wall: 8168.13, 0.00316193/step, 2.12201 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2584000 4013.3855 20569.4447 14481.0620 252.8246 -203454.2557 2585.4465 0.0000 0.0000 51863.2218 -109688.8704 298.0586 -161552.0922 -109318.2286 298.9407 -141.8120 -114.5091 761923.7608 7.1652 7.1010 PRESSURE: 2584200 -24.9686 125.229 102.639 125.229 4.73024 277.325 102.638 277.325 149.099 GPRESSURE: 2584200 -19.2183 -48.5894 193.589 58.1278 125.778 264.813 -12.8622 204.224 100.307 PRESSAVG: 2584200 -22.5169 20.9282 34.4696 20.9282 25.0373 -56.476 34.4696 -56.4761 -15.2013 GPRESSAVG: 2584200 -23.1803 20.8112 35.4438 19.5054 25.7953 -57.9757 33.8334 -56.1787 -14.7917 TIMING: 2584200 CPU: 8168.76, 0.0031479/step Wall: 8168.76, 0.0031479/step, 2.11241 hours remaining, 237.128906 MB of memory in use. ENERGY: 2584200 4017.9714 20529.4010 14380.2908 253.6806 -203437.5408 2589.1384 0.0000 0.0000 51830.8609 -109836.1978 297.8727 -161667.0587 -109466.7973 299.0622 42.9535 68.9557 760047.7620 -4.2269 -4.0589 LDB: ============= START OF LOAD BALANCING ============== 8181.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8181.16 LDB: =============== DONE WITH MIGRATION ================ 8181.16 LDB: ============= START OF LOAD BALANCING ============== 8181.48 LDB: Largest compute 7059 load 0.035776 is 18.3% of average load 0.195934 LDB: Average compute 0.004397 is 2.2% of average load 0.195934 LDB: TIME 8181.48 LOAD: AVG 0.195934 MAX 0.216544 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 8181.48 LOAD: AVG 0.195934 MAX 0.216544 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 8181.48 LOAD: AVG 0.195934 MAX 0.216544 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 8181.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8181.49 PRESSURE: 2584400 -49.0835 -332.197 59.9654 -332.196 -368.124 -30.1907 59.965 -30.1922 31.1584 GPRESSURE: 2584400 13.2098 -306.876 32.0134 -304.549 -278.404 59.0037 36.3364 -34.1962 -48.9897 PRESSAVG: 2584400 29.0226 -35.7405 -12.0277 -35.7405 -62.6224 -17.8861 -12.0277 -17.8862 12.0406 GPRESSAVG: 2584400 28.9909 -35.8791 -12.4606 -33.7545 -62.3387 -17.4512 -11.4573 -18.2799 11.4976 TIMING: 2584400 CPU: 8169.4, 0.00321306/step Wall: 8169.4, 0.00321306/step, 2.15596 hours remaining, 239.183594 MB of memory in use. ENERGY: 2584400 4019.3765 20466.5887 14476.2827 237.1007 -203762.7900 2620.5594 0.0000 0.0000 52075.6088 -109867.2731 299.2792 -161942.8819 -109510.0225 298.7346 -128.6830 -104.7280 760742.2037 -7.1864 -7.2834 PRESSURE: 2584600 4.19874 -77.0434 79.702 -77.0426 -79.0072 -254.751 79.7023 -254.751 32.2039 GPRESSURE: 2584600 64.4437 -47.1605 63.3619 -183.539 -34.5548 -121.904 55.8261 -311.032 0.214247 PRESSAVG: 2584600 55.3607 -12.0061 -33.8946 -12.0061 -64.8583 -40.742 -33.8946 -40.742 16.7297 GPRESSAVG: 2584600 54.8669 -11.9076 -33.042 -11.1774 -65.4636 -40.1778 -33.6071 -40.4185 17.9572 TIMING: 2584600 CPU: 8170.04, 0.0031565/step Wall: 8170.04, 0.0031565/step, 2.11784 hours remaining, 239.386719 MB of memory in use. ENERGY: 2584600 3948.3906 20643.3918 14411.1968 232.4496 -203888.2819 2736.4377 0.0000 0.0000 52287.7175 -109628.6979 300.4982 -161916.4154 -109260.8872 299.5939 -14.2015 10.0344 761077.7096 2.4107 2.4535 PRESSURE: 2584800 -24.7155 -69.1835 90.9346 -69.1834 -309.495 139.932 90.9354 139.932 245.133 GPRESSURE: 2584800 -36.396 -108.265 102.942 -93.4381 -277.902 143.91 17.807 217.639 318.052 PRESSAVG: 2584800 9.6903 -0.231861 62.9297 -0.231791 -38.8716 32.7121 62.9297 32.7121 12.0599 GPRESSAVG: 2584800 10.0362 -0.431072 61.5179 -1.08883 -37.6949 31.7551 62.8068 32.8893 10.7347 TIMING: 2584800 CPU: 8170.67, 0.00315123/step Wall: 8170.67, 0.00315123/step, 2.11413 hours remaining, 239.386719 MB of memory in use. ENERGY: 2584800 3994.1488 20421.0325 14388.5810 263.1045 -203248.3424 2525.0325 0.0000 0.0000 52298.6815 -109357.7616 300.5612 -161656.4431 -108984.6694 299.5157 -29.6926 1.2512 762681.4615 -5.7071 -5.6413 PRESSURE: 2585000 -2.80786 193.261 -147.62 193.26 -96.6582 79.3851 -147.62 79.3856 27.964 GPRESSURE: 2585000 7.7902 182.045 -151.338 250.742 -101.057 61.9492 -47.9784 63.8756 94.2996 PRESSAVG: 2585000 60.983 -36.7769 -39.3905 -36.777 2.4898 -28.3383 -39.3905 -28.3384 3.63121 GPRESSAVG: 2585000 60.417 -33.9168 -38.7589 -36.8933 2.13197 -27.7694 -38.6862 -28.9524 4.924 TIMING: 2585000 CPU: 8171.3, 0.00314629/step Wall: 8171.3, 0.00314629/step, 2.11064 hours remaining, 239.386719 MB of memory in use. ENERGY: 2585000 3902.2175 20531.4462 14462.2839 258.1022 -203314.5541 2393.3514 0.0000 0.0000 52366.8901 -109400.2629 300.9532 -161767.1530 -109038.9511 299.8277 -23.8340 0.3442 761252.6494 22.3680 22.4910 PRESSURE: 2585200 103.828 91.5102 96.8935 91.51 -40.2458 47.5989 96.8937 47.5993 134.604 GPRESSURE: 2585200 128.114 118.186 75.6557 52.8194 -18.972 118.436 57.2979 73.6089 172.724 PRESSAVG: 2585200 0.997742 12.0576 14.0122 12.0576 -5.33758 11.8046 14.0123 11.8044 -17.6706 GPRESSAVG: 2585200 2.52536 8.66058 15.6225 12.1186 -5.88041 11.4349 13.0863 13.7053 -18.6394 TIMING: 2585200 CPU: 8171.93, 0.00316759/step Wall: 8171.93, 0.00316759/step, 2.12475 hours remaining, 239.386719 MB of memory in use. ENERGY: 2585200 3947.5726 20419.9318 14414.2132 265.6985 -203016.3013 2354.6387 0.0000 0.0000 52239.7669 -109374.4796 300.2227 -161614.2465 -109001.9649 299.4985 66.0619 93.9552 760449.2997 -7.3368 -7.3315 PRESSURE: 2585400 277.852 -15.5648 211.878 -15.5652 146.064 86.1833 211.879 86.1832 -159.668 GPRESSURE: 2585400 233.804 49.1414 157.627 -7.61926 236.597 48.5722 305.485 117.046 -115.71 PRESSAVG: 2585400 10.4323 5.9491 39.773 5.94909 -19.8439 32.0976 39.7729 32.0976 16.0631 GPRESSAVG: 2585400 8.24406 7.23139 37.424 7.11444 -18.0985 33.3684 39.1081 30.7855 16.4808 TIMING: 2585400 CPU: 8172.56, 0.00314536/step Wall: 8172.56, 0.00314537/step, 2.10967 hours remaining, 239.386719 MB of memory in use. ENERGY: 2585400 3989.5183 20636.1561 14429.9370 248.8215 -203004.3417 2384.7757 0.0000 0.0000 51935.1790 -109379.9542 298.4722 -161315.1332 -109020.6612 299.4744 88.0828 118.2302 760936.8257 2.2172 2.2088 PRESSURE: 2585600 -529.873 -96.8835 264.895 -96.8842 13.8584 -64.7304 264.895 -64.7305 322.11 GPRESSURE: 2585600 -425.835 -170.09 227.876 -82.2818 -2.12426 -72.5049 210.856 -121.191 341.831 PRESSAVG: 2585600 24.0839 -5.99352 -47.3812 -5.99354 -39.976 0.578396 -47.3812 0.578477 -20.5348 GPRESSAVG: 2585600 24.1142 -6.02401 -47.6203 -6.78653 -39.6504 -0.140877 -46.6867 -1.95383 -20.5378 TIMING: 2585600 CPU: 8173.19, 0.00315955/step Wall: 8173.19, 0.00315955/step, 2.11901 hours remaining, 239.386719 MB of memory in use. ENERGY: 2585600 3963.7368 20415.6594 14434.4672 247.6347 -202703.1575 2123.2207 0.0000 0.0000 52066.3888 -109452.0499 299.2263 -161518.4387 -109079.9501 299.2059 -64.6348 -28.7095 762867.7885 -12.1423 -12.0247 PRESSURE: 2585800 -27.568 -8.95438 140.603 -8.95381 -104.666 -95.1521 140.602 -95.1532 18.549 GPRESSURE: 2585800 -1.13473 8.14593 120.284 -102.59 -169.469 -151.418 109.141 -87.7958 136.706 PRESSAVG: 2585800 -31.6907 -43.6113 28.0492 -43.6113 -15.7464 16.8657 28.0491 16.8657 7.4096 GPRESSAVG: 2585800 -31.8271 -42.4828 28.3601 -45.9771 -16.907 16.0534 27.3896 19.492 8.54747 TIMING: 2585800 CPU: 8173.82, 0.00315599/step Wall: 8173.82, 0.00315599/step, 2.11644 hours remaining, 239.386719 MB of memory in use. ENERGY: 2585800 4026.7624 20700.8738 14402.4644 241.2959 -203310.8172 2533.4178 0.0000 0.0000 51890.6089 -109515.3940 298.2160 -161406.0029 -109163.7665 299.1466 -37.8950 -11.2994 762168.2902 -13.3425 -13.3956 PRESSURE: 2586000 215.065 157.908 251.188 157.909 37.8983 226.259 251.188 226.259 18.3743 GPRESSURE: 2586000 115.425 134.799 294.525 235.013 128.593 101.331 233.291 126.198 106.149 PRESSAVG: 2586000 63.4251 23.4275 60.9055 23.4274 -68.7169 -28.5438 60.9055 -28.5438 3.54053 GPRESSAVG: 2586000 63.5041 21.3923 61.6528 27.1509 -67.5016 -27.5011 60.225 -29.1656 2.34916 TIMING: 2586000 CPU: 8174.45, 0.00314661/step Wall: 8174.45, 0.00314661/step, 2.10998 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2586000 3986.1003 20563.6974 14461.0448 248.2568 -203233.8854 2599.3186 0.0000 0.0000 51903.7098 -109471.7579 298.2913 -161375.4677 -109103.6058 299.4769 90.4457 116.7225 761625.6425 -0.5837 -0.5495 PRESSURE: 2586200 267.731 294.071 187.025 294.072 -70.9175 56.6129 187.025 56.6127 27.4362 GPRESSURE: 2586200 252.552 285.365 68.0424 206.234 26.0001 97.0258 110.444 33.5879 38.1365 PRESSAVG: 2586200 26.8367 5.54617 14.0908 5.54622 -34.6576 -35.1411 14.0908 -35.1412 -1.49893 GPRESSAVG: 2586200 27.2301 8.50141 13.9187 2.63758 -33.7653 -36.0218 12.6972 -33.8094 -2.07304 TIMING: 2586200 CPU: 8175.08, 0.00314405/step Wall: 8175.08, 0.00314405/step, 2.10809 hours remaining, 239.386719 MB of memory in use. ENERGY: 2586200 3860.5124 20621.3865 14461.0914 229.1946 -203536.2323 2580.4543 0.0000 0.0000 52165.5838 -109618.0094 299.7963 -161783.5932 -109258.4328 299.5347 74.7501 105.5629 760607.9559 -3.1066 -2.8694 PRESSURE: 2586400 -360.331 -130.251 -16.0512 -130.25 -201.78 144.84 -16.0511 144.841 -504.308 GPRESSURE: 2586400 -384.912 -137.484 58.4319 -16.4653 -98.6348 194.911 -106.344 113.078 -487.682 PRESSAVG: 2586400 38.6669 5.64418 29.5028 5.64415 -28.3204 -2.25344 29.5029 -2.25337 -15.2578 GPRESSAVG: 2586400 38.5943 2.38766 28.8355 7.15508 -29.9246 -0.204322 31.0892 -6.85952 -13.6446 TIMING: 2586400 CPU: 8175.71, 0.00314438/step Wall: 8175.71, 0.00314438/step, 2.10813 hours remaining, 239.386719 MB of memory in use. ENERGY: 2586400 3971.6946 20569.5425 14437.8166 234.5166 -202949.7107 1999.2624 0.0000 0.0000 52007.0509 -109729.8271 298.8852 -161736.8780 -109357.2574 298.6808 -355.4730 -323.7429 761728.5654 -1.6371 -1.6583 PRESSURE: 2586600 33.2201 -81.8333 141.657 -81.833 187.635 63.6056 141.657 63.6049 -61.2628 GPRESSURE: 2586600 135.872 22.6457 -27.6639 -221.244 198.303 74.0529 122.012 43.4936 -69.6685 PRESSAVG: 2586600 6.3418 -33.7985 18.5756 -33.7985 -41.1582 -27.6413 18.5756 -27.6414 -1.76516 GPRESSAVG: 2586600 7.88397 -32.8376 18.9688 -34.2743 -41.1102 -28.1622 19.9387 -26.1223 -3.06582 TIMING: 2586600 CPU: 8176.34, 0.00313845/step Wall: 8176.34, 0.00313845/step, 2.10398 hours remaining, 239.386719 MB of memory in use. ENERGY: 2586600 4007.0320 20650.4430 14490.3010 225.0199 -203595.5637 2609.7109 0.0000 0.0000 51918.0164 -109695.0405 298.3736 -161613.0569 -109332.9866 298.9612 53.1974 88.1690 761124.1290 -12.1938 -12.0974 PRESSURE: 2586800 17.1096 -110.636 -150.04 -110.636 -15.7496 -275.82 -150.041 -275.82 24.1812 GPRESSURE: 2586800 125.025 -177.562 -138.122 -82.6575 -82.4293 -195.065 6.1192 -214.066 71.4477 PRESSAVG: 2586800 52.4498 -61.5516 2.89968 -61.5516 -37.2929 -0.65617 2.89969 -0.65623 0.82687 GPRESSAVG: 2586800 51.6923 -62.8768 2.30802 -60.0252 -37.947 -1.54522 1.29147 0.818201 2.0428 TIMING: 2586800 CPU: 8176.96, 0.0031372/step Wall: 8176.96, 0.0031372/step, 2.10297 hours remaining, 239.386719 MB of memory in use. ENERGY: 2586800 3922.5278 20691.8306 14482.6038 243.3624 -203687.5700 2505.4287 0.0000 0.0000 52071.1468 -109770.6698 299.2536 -161841.8166 -109409.6727 299.0659 8.5137 38.0145 760135.5800 5.3279 5.2627 PRESSURE: 2587000 -80.5822 71.8718 124.186 71.8714 -48.9868 -60.6498 124.187 -60.6486 -285.246 GPRESSURE: 2587000 -27.8443 117.987 112.824 -22.5965 -59.3592 -74.8479 115.936 -70.1343 -249.248 PRESSAVG: 2587000 91.0361 -93.7089 15.0427 -93.7089 -25.9481 10.0018 15.0427 10.0018 16.0884 GPRESSAVG: 2587000 91.4968 -92.0974 15.1168 -96.313 -26.735 10.7867 17.5181 11.1566 16.1297 TIMING: 2587000 CPU: 8177.59, 0.00314535/step Wall: 8177.59, 0.00314535/step, 2.10826 hours remaining, 239.386719 MB of memory in use. ENERGY: 2587000 3944.9780 20645.2088 14420.2522 247.0912 -203572.5014 2619.4575 0.0000 0.0000 52065.3315 -109630.1822 299.2202 -161695.5137 -109271.6732 299.1902 -138.2717 -112.1506 760069.2307 27.0588 26.9638 PRESSURE: 2587200 -24.0188 -172.38 160.021 -172.379 59.5975 56.6128 160.02 56.6117 217.3 GPRESSURE: 2587200 5.56061 -68.9398 157.706 -111.107 135.643 14.7896 139.185 -31.7887 212.338 PRESSAVG: 2587200 11.4577 -38.8376 52.6179 -38.8376 -5.52564 1.21202 52.6178 1.21203 7.38905 GPRESSAVG: 2587200 9.93622 -40.1426 53.0748 -37.3412 -3.56608 0.0850649 51.3217 -0.0081223 7.28197 TIMING: 2587200 CPU: 8178.22, 0.00315426/step Wall: 8178.22, 0.00315426/step, 2.11405 hours remaining, 239.386719 MB of memory in use. ENERGY: 2587200 3946.9411 20657.7291 14524.4524 233.4163 -203623.6249 2579.2133 0.0000 0.0000 52005.5511 -109676.3217 298.8766 -161681.8728 -109315.6875 299.4744 84.2930 117.8472 758249.4287 4.4404 4.5507 PRESSURE: 2587400 -17.5552 -75.8255 122.432 -75.8252 -428.391 -195.681 122.431 -195.681 12.6047 GPRESSURE: 2587400 71.0815 -54.3789 208.866 -51.2642 -398.817 -163.768 64.5522 -103.966 -22.2946 PRESSAVG: 2587400 -14.6865 -41.56 5.32462 -41.56 19.844 -10.1154 5.32466 -10.1154 -0.477853 GPRESSAVG: 2587400 -12.4991 -40.1174 6.81508 -40.2718 18.573 -10.2741 5.26278 -8.87976 -1.03507 TIMING: 2587400 CPU: 8178.85, 0.00314059/step Wall: 8178.85, 0.00314059/step, 2.10472 hours remaining, 239.386719 MB of memory in use. ENERGY: 2587400 4053.5422 20626.7103 14450.1831 240.3000 -203173.0709 2401.9123 0.0000 0.0000 51853.4609 -109546.9621 298.0026 -161400.4230 -109181.6323 299.5202 -144.4473 -116.6767 760034.8399 1.5599 1.6796 PRESSURE: 2587600 44.1188 -1.1528 -425.242 -1.15371 -246.269 -247.545 -425.24 -247.545 -494.517 GPRESSURE: 2587600 58.9591 -61.148 -392.975 -47.7809 -201.891 -253.223 -291.274 -206.496 -451.707 PRESSAVG: 2587600 19.4518 -60.8562 -69.3647 -60.8562 3.69011 -15.3608 -69.3647 -15.3609 -29.7875 GPRESSAVG: 2587600 18.3227 -60.4259 -70.1719 -63.1985 5.35859 -15.2077 -68.3529 -13.7453 -30.0067 TIMING: 2587600 CPU: 8179.48, 0.00314253/step Wall: 8179.48, 0.00314253/step, 2.10585 hours remaining, 239.386719 MB of memory in use. ENERGY: 2587600 4013.9468 20654.1343 14493.0446 234.3596 -203774.6316 2494.9690 0.0000 0.0000 52255.5724 -109628.6049 300.3135 -161884.1773 -109272.7502 299.2832 -232.2222 -198.2130 758984.5492 -2.2152 -2.1085 PRESSURE: 2587800 -160.058 150.149 176.3 150.149 49.1563 -7.4116 176.299 -7.40983 -142.012 GPRESSURE: 2587800 -141.716 145.091 222.73 143.894 118.009 -26.519 230.811 137.775 -127.729 PRESSAVG: 2587800 107.651 -59.4229 6.77007 -59.4229 -57.7077 -6.66922 6.77006 -6.66921 20.6039 GPRESSAVG: 2587800 107.696 -58.8681 4.24652 -59.0738 -57.7637 -7.39875 6.6697 -5.84968 20.5905 TIMING: 2587800 CPU: 8180.11, 0.00316166/step Wall: 8180.11, 0.00316166/step, 2.11849 hours remaining, 239.386719 MB of memory in use. ENERGY: 2587800 3964.0758 20532.7449 14447.9266 235.6155 -203558.3947 2529.7083 0.0000 0.0000 52317.0946 -109531.2289 300.6671 -161848.3236 -109150.1310 299.4628 -84.3044 -50.4789 759885.5028 23.5156 23.5076 PRESSURE: 2588000 12.1416 -234.929 232.343 -234.929 117.006 116.298 232.342 116.297 365.059 GPRESSURE: 2588000 4.04074 -250.947 195.624 -216.195 175.36 108.252 248.681 58.597 410.402 PRESSAVG: 2588000 3.90368 -24.0623 34.7587 -24.0623 -14.8796 -31.8879 34.7587 -31.888 9.57694 GPRESSAVG: 2588000 4.04858 -25.1392 36.7222 -23.2113 -15.1725 -30.6159 35.6023 -35.051 9.32537 TIMING: 2588000 CPU: 8180.74, 0.0031455/step Wall: 8180.74, 0.0031455/step, 2.10749 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2588000 3990.3311 20555.7668 14567.3312 245.1748 -203784.4238 2850.3458 0.0000 0.0000 52134.4146 -109441.0594 299.6172 -161575.4740 -109081.8944 299.7546 164.7356 196.6007 761074.6091 -0.4663 -0.5995 PRESSURE: 2588200 320.892 -78.5866 -166.252 -78.5873 270.74 201.351 -166.251 201.351 -130.076 GPRESSURE: 2588200 406.244 -147.767 -167.455 -101.54 187.034 71.9409 -23.1679 159.561 -38.0972 PRESSAVG: 2588200 40.4449 -64.5301 10.4206 -64.5301 8.20635 -34.7903 10.4206 -34.7903 -16.9412 GPRESSAVG: 2588200 40.5735 -64.5727 11.959 -64.5956 6.64417 -34.3255 8.48041 -33.9396 -14.9747 TIMING: 2588200 CPU: 8181.37, 0.00315803/step Wall: 8181.37, 0.00315803/step, 2.1157 hours remaining, 239.386719 MB of memory in use. ENERGY: 2588200 3949.0009 20554.0092 14537.9436 235.9629 -203612.7731 2680.2755 0.0000 0.0000 52100.6825 -109554.8985 299.4233 -161655.5810 -109199.8669 299.0108 153.8519 185.0602 760880.9284 10.5700 10.7476 LDB: ============= START OF LOAD BALANCING ============== 8193.77 LDB: ============== END OF LOAD BALANCING =============== 8193.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8193.77 LDB: ============= START OF LOAD BALANCING ============== 8194.09 LDB: Largest compute 7031 load 0.035089 is 17.9% of average load 0.196018 LDB: Average compute 0.004394 is 2.2% of average load 0.196018 LDB: TIME 8194.09 LOAD: AVG 0.196018 MAX 0.217788 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.16 MB LDB: TIME 8194.09 LOAD: AVG 0.196018 MAX 0.217788 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: TIME 8194.09 LOAD: AVG 0.196018 MAX 0.217788 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: ============== END OF LOAD BALANCING =============== 8194.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8194.1 PRESSURE: 2588400 -342.44 -232.488 125.01 -232.488 -403.549 -140.281 125.011 -140.279 13.91 GPRESSURE: 2588400 -286.377 -285.674 108.601 -214.345 -340.806 -87.5481 176.55 -106.683 -23.6624 PRESSAVG: 2588400 45.642 -66.0307 1.22192 -66.0307 -30.0383 -17.7348 1.22192 -17.7348 10.3373 GPRESSAVG: 2588400 46.61 -66.699 -0.593617 -64.7382 -28.9127 -18.4354 3.39358 -15.4471 8.75779 TIMING: 2588400 CPU: 8182.02, 0.00322614/step Wall: 8182.02, 0.00322614/step, 2.16116 hours remaining, 239.125000 MB of memory in use. ENERGY: 2588400 4106.5347 20510.6305 14506.3173 240.2945 -202987.1940 2149.4487 0.0000 0.0000 52019.6579 -109454.3105 298.9577 -161473.9684 -109089.8645 299.3632 -244.0263 -216.9485 761415.8903 8.6470 8.8184 PRESSURE: 2588600 157.907 19.3546 -55.0339 19.3542 94.8435 170.919 -55.0341 170.919 92.4911 GPRESSURE: 2588600 169.441 0.39763 -132.081 -10.1715 156.796 242.837 -42.0456 58.2281 107.675 PRESSAVG: 2588600 -23.7744 -64.3771 -7.18317 -64.3771 7.61996 17.1582 -7.18323 17.1582 -3.81261 GPRESSAVG: 2588600 -24.9329 -61.2489 -5.56008 -67.1745 7.53804 18.2136 -10.5608 15.8775 -1.86012 TIMING: 2588600 CPU: 8182.65, 0.00315822/step Wall: 8182.65, 0.00315822/step, 2.11548 hours remaining, 239.125000 MB of memory in use. ENERGY: 2588600 4003.7216 20568.8836 14412.9462 232.3038 -203509.8558 2648.2115 0.0000 0.0000 52081.9128 -109561.8764 299.3155 -161643.7892 -109184.6392 298.6558 115.0806 144.6372 759511.3750 -6.6557 -6.4183 PRESSURE: 2588800 125.949 -34.2009 -38.8081 -34.2015 -189.772 -99.1005 -38.809 -99.1011 -189.196 GPRESSURE: 2588800 97.0256 -15.1975 -35.7125 -9.48667 -88.5157 -142.886 15.1173 -95.316 -170.169 PRESSAVG: 2588800 41.6357 -60.2805 -44.0105 -60.2803 -55.3541 -1.34771 -44.0104 -1.3477 -11.1564 GPRESSAVG: 2588800 40.7592 -62.6688 -45.2855 -57.8828 -53.7258 -1.92619 -40.3774 -0.312676 -12.4057 TIMING: 2588800 CPU: 8183.28, 0.0031624/step Wall: 8183.28, 0.0031624/step, 2.11811 hours remaining, 239.125000 MB of memory in use. ENERGY: 2588800 3933.7958 20554.5878 14397.8280 220.8072 -203234.2710 2473.4443 0.0000 0.0000 52165.5074 -109488.3006 299.7959 -161653.8079 -109121.8887 298.8576 -84.3394 -53.8865 761437.5499 -8.2916 -8.4574 PRESSURE: 2589000 268.045 13.9026 94.353 13.9042 21.364 -106.54 94.3539 -106.542 22.3183 GPRESSURE: 2589000 282.768 149.28 55.5595 -7.83289 80.2193 -114.775 54.9652 -1.35996 44.0518 PRESSAVG: 2589000 -8.11118 30.7733 38.9451 30.7733 -17.4379 21.1102 38.9451 21.1102 -16.1848 GPRESSAVG: 2589000 -7.12596 30.2484 40.1688 28.5119 -17.9697 20.3436 38.0769 21.4592 -16.6642 TIMING: 2589000 CPU: 8183.91, 0.00315646/step Wall: 8183.91, 0.00315646/step, 2.11395 hours remaining, 239.125000 MB of memory in use. ENERGY: 2589000 3978.4317 20494.0674 14503.0860 255.4328 -203610.4859 2724.3308 0.0000 0.0000 52245.9037 -109409.2334 300.2579 -161655.1371 -109042.9533 298.7701 103.9091 135.6796 759653.5191 -13.9113 -13.9199 PRESSURE: 2589200 -62.1913 49.5698 -26.8166 49.5691 -238.552 82.9962 -26.8167 82.9968 -92.6851 GPRESSURE: 2589200 -56.2692 31.1669 -89.9272 70.1047 -178.685 142.166 -36.85 83.9468 -62.0066 PRESSAVG: 2589200 15.7385 -21.5373 -7.95967 -21.5373 -28.7525 40.2163 -7.95972 40.2163 15.2254 GPRESSAVG: 2589200 17.0006 -21.5419 -8.89845 -18.7389 -29.5781 39.914 -10.3302 40.812 14.7752 TIMING: 2589200 CPU: 8184.54, 0.00315913/step Wall: 8184.54, 0.00315913/step, 2.11556 hours remaining, 239.125000 MB of memory in use. ENERGY: 2589200 3922.5394 20658.0140 14557.7616 252.3017 -203028.1839 2265.9472 0.0000 0.0000 51912.6156 -109459.0044 298.3425 -161371.6200 -109095.9326 299.4253 -131.1427 -98.9871 759279.5007 0.7372 0.7326 PRESSURE: 2589400 -274.807 129.525 -84.8952 129.525 -226.331 -64.4966 -84.8956 -64.496 -119.1 GPRESSURE: 2589400 -282.559 61.6102 -79.9063 168.033 -165.542 -82.3556 -29.1039 -54.9473 -95.7166 PRESSAVG: 2589400 55.9417 0.471219 16.0663 0.47113 -59.9617 1.43081 16.0663 1.43092 7.45937 GPRESSAVG: 2589400 53.3219 0.885939 16.0552 -0.205997 -59.2334 3.12675 18.6192 -0.630701 8.69067 TIMING: 2589400 CPU: 8185.17, 0.00314756/step Wall: 8185.17, 0.00314756/step, 2.10764 hours remaining, 239.125000 MB of memory in use. ENERGY: 2589400 3992.9295 20503.9232 14575.8364 263.3906 -203253.9348 2429.6331 0.0000 0.0000 52161.2873 -109326.9347 299.7716 -161488.2220 -108960.6707 299.4704 -206.7459 -181.2723 760764.4510 1.1465 0.9264 PRESSURE: 2589600 -481.837 20.4747 71.3991 20.4745 -78.5123 71.0975 71.399 71.097 -132.584 GPRESSURE: 2589600 -479.535 -39.6399 31.7871 -26.6946 -39.489 66.5769 181.233 32.1917 -113.265 PRESSAVG: 2589600 36.054 10.4233 -37.8666 10.4234 -2.11391 52.5075 -37.8666 52.5075 4.464 GPRESSAVG: 2589600 37.5375 10.6334 -36.6987 9.04275 -1.99273 52.0681 -37.8176 54.9254 2.85381 TIMING: 2589600 CPU: 8185.8, 0.00313594/step Wall: 8185.8, 0.00313594/step, 2.09969 hours remaining, 239.125000 MB of memory in use. ENERGY: 2589600 4028.0893 20447.8525 14619.9870 263.4833 -203027.0227 2338.0690 0.0000 0.0000 52061.0241 -109268.5175 299.1954 -161329.5416 -108906.8115 299.8675 -230.9779 -210.7631 761387.3685 12.8014 12.7995 PRESSURE: 2589800 -245.956 -82.9777 158.878 -82.9778 -124.24 0.117154 158.877 0.116304 -50.8505 GPRESSURE: 2589800 -235.283 35.9009 141.856 -39.2322 -86.9722 3.51022 129.53 6.03875 -7.65019 PRESSAVG: 2589800 8.7778 -18.7035 -31.0712 -18.7036 -16.2161 -20.0692 -31.0712 -20.0691 -2.62821 GPRESSAVG: 2589800 8.42684 -19.8701 -31.1001 -17.2949 -16.9928 -20.6932 -31.2879 -20.6017 -1.61001 TIMING: 2589800 CPU: 8186.43, 0.00314634/step Wall: 8186.43, 0.00314634/step, 2.10648 hours remaining, 239.125000 MB of memory in use. ENERGY: 2589800 4013.6703 20446.0401 14500.6953 233.1980 -203231.1548 2347.0126 0.0000 0.0000 52508.0521 -109182.4864 301.7645 -161690.5386 -108820.4632 299.9169 -140.3488 -109.9685 761210.8750 -3.3555 -3.3920 PRESSURE: 2590000 -45.0559 -162.887 -14.0783 -162.887 -209.414 -88.4853 -14.0783 -88.485 -306.499 GPRESSURE: 2590000 -17.7789 -259.949 3.93364 -123.885 -177.66 -170.677 39.3266 -95.3217 -277.132 PRESSAVG: 2590000 -23.9555 29.4197 5.90349 29.4197 -17.6622 -57.2799 5.90351 -57.2798 2.21294 GPRESSAVG: 2590000 -25.4613 27.5398 5.55463 31.87 -16.9198 -57.2117 4.37364 -56.7753 2.89572 TIMING: 2590000 CPU: 8187.06, 0.00313854/step Wall: 8187.06, 0.00313854/step, 2.10108 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2590000 4036.0060 20511.6549 14468.5702 249.8526 -202866.1097 2190.3516 0.0000 0.0000 52107.8691 -109301.8053 299.4646 -161409.6744 -108941.5710 300.0704 -186.9897 -157.5234 760385.6649 -13.1349 -13.1618 PRESSURE: 2590200 552.368 -100.558 -63.3128 -100.557 73.9822 145.827 -63.3135 145.828 -420.841 GPRESSURE: 2590200 478.105 -171.371 -73.6507 -114.497 183.218 163.641 -11.5786 112.466 -362.494 PRESSAVG: 2590200 44.8884 -28.7871 -1.53992 -28.7871 -42.7574 -21.2113 -1.53991 -21.2113 4.0297 GPRESSAVG: 2590200 45.7718 -27.9105 -2.18088 -31.6493 -43.5433 -21.3609 0.867979 -22.4602 4.02515 TIMING: 2590200 CPU: 8187.69, 0.00313464/step Wall: 8187.69, 0.00313464/step, 2.09829 hours remaining, 239.125000 MB of memory in use. ENERGY: 2590200 4003.1695 20473.6093 14496.1389 246.1278 -203706.8672 2755.4744 0.0000 0.0000 52433.5637 -109298.7837 301.3364 -161732.3473 -108940.0247 299.6133 68.5031 99.6097 760715.1306 2.0536 2.0845 PRESSURE: 2590400 29.7123 71.6666 -87.8473 71.6668 -358.733 -202.532 -87.848 -202.532 390.256 GPRESSURE: 2590400 43.156 24.9936 -88.7935 157.586 -200.744 -163.763 -53.3231 -272.467 270.42 PRESSAVG: 2590400 21.4158 -15.6289 0.806205 -15.6288 -4.69112 -72.6248 0.80617 -72.6249 18.9076 GPRESSAVG: 2590400 21.7135 -12.0968 2.88751 -16.1241 -3.98117 -72.5382 -2.72868 -71.8377 17.7137 TIMING: 2590400 CPU: 8188.31, 0.00313393/step Wall: 8188.31, 0.00313393/step, 2.09765 hours remaining, 239.125000 MB of memory in use. ENERGY: 2590400 3984.8705 20440.8031 14489.4410 241.0337 -203023.9609 2333.7729 0.0000 0.0000 52278.9828 -109255.0569 300.4480 -161534.0397 -108892.5772 300.1091 20.4119 37.6107 761189.9284 11.8774 11.8153 PRESSURE: 2590600 -115.65 3.88298 367.949 3.88376 214.691 -88.7645 367.948 -88.7644 -287.523 GPRESSURE: 2590600 -70.768 -6.20872 308.619 -55.2212 273.258 -40.7185 504.828 -145.657 -308.269 PRESSAVG: 2590600 -18.5867 -33.9959 -17.9362 -33.996 -2.21176 -30.5109 -17.9362 -30.5109 3.33675 GPRESSAVG: 2590600 -18.3308 -36.2111 -20.6301 -32.1044 -3.63142 -31.1031 -16.2486 -29.262 4.30174 TIMING: 2590600 CPU: 8188.94, 0.00313482/step Wall: 8188.94, 0.00313482/step, 2.09806 hours remaining, 239.125000 MB of memory in use. ENERGY: 2590600 4048.6286 20341.7408 14436.5547 243.3076 -203121.9868 2530.3888 0.0000 0.0000 52416.7007 -109104.6656 301.2395 -161521.3663 -108739.3960 299.9184 -62.8271 -35.2599 761533.9730 -5.8206 -5.8868 PRESSURE: 2590800 186.365 54.415 -24.4758 54.4143 279.768 282.441 -24.4763 282.441 492.681 GPRESSURE: 2590800 181.16 3.25462 -23.9009 18.3211 345.597 353.449 -34.0658 344.415 521.178 PRESSAVG: 2590800 -19.194 -34.1422 -14.6566 -34.1421 40.2171 -17.4849 -14.6566 -17.4848 6.50794 GPRESSAVG: 2590800 -20.3114 -33.3386 -13.6556 -34.5535 40.0339 -16.6889 -13.3783 -18.5764 7.93479 TIMING: 2590800 CPU: 8189.57, 0.00315724/step Wall: 8189.57, 0.00315724/step, 2.1129 hours remaining, 239.125000 MB of memory in use. ENERGY: 2590800 3924.3451 20459.9160 14560.3264 241.6228 -203520.1437 2890.3679 0.0000 0.0000 52283.3696 -109160.1960 300.4732 -161443.5655 -108791.2690 300.0732 319.6046 349.3116 759247.0462 9.1770 9.2191 PRESSURE: 2591000 53.378 -27.3336 76.0455 -27.3336 111.359 -135.773 76.0454 -135.773 146.226 GPRESSURE: 2591000 162.432 35.5651 96.6362 -34.3253 102.314 -142.735 89.3887 -81.4853 139.724 PRESSAVG: 2591000 -9.06432 -18.2807 5.52042 -18.2808 -32.4868 28.3041 5.52037 28.3041 10.677 GPRESSAVG: 2591000 -5.80171 -18.9253 5.40361 -18.1515 -32.9038 27.9833 1.90422 28.4182 8.46522 TIMING: 2591000 CPU: 8190.2, 0.00313932/step Wall: 8190.2, 0.00313932/step, 2.10073 hours remaining, 239.125000 MB of memory in use. ENERGY: 2591000 3964.9420 20509.4885 14569.5920 224.7724 -203204.4389 2637.5066 0.0000 0.0000 52183.6647 -109114.4726 299.9002 -161298.1373 -108753.5159 299.9390 103.6541 134.8232 761099.7080 -10.2914 -10.0801 PRESSURE: 2591200 -27.8447 -124.605 109.007 -124.605 -145.037 71.8756 109.007 71.8745 -252.679 GPRESSURE: 2591200 -28.849 -43.9616 3.6818 -20.233 -92.6501 81.2605 80.2138 206.806 -226.138 PRESSAVG: 2591200 8.95254 -43.2124 -5.79183 -43.2123 34.4219 11.702 -5.7918 11.702 -8.27662 GPRESSAVG: 2591200 7.50915 -42.8015 -6.90653 -44.2952 34.4766 13.2512 -5.55588 11.3277 -6.92554 TIMING: 2591200 CPU: 8190.83, 0.00315544/step Wall: 8190.83, 0.00315544/step, 2.11134 hours remaining, 239.125000 MB of memory in use. ENERGY: 2591200 4029.4839 20553.8152 14494.7362 257.5997 -203097.3204 2435.1018 0.0000 0.0000 52146.1368 -109180.4469 299.6846 -161326.5836 -108817.8693 300.0198 -141.8538 -115.8792 760479.7371 11.6993 11.6867 PRESSURE: 2591400 222.958 225.76 16.4626 225.76 308.283 -36.9519 16.462 -36.9529 -151.044 GPRESSURE: 2591400 216.054 232.157 62.3557 157.137 333.016 -41.1353 34.2004 1.73104 -83.0535 PRESSAVG: 2591400 2.82175 34.7264 -0.733024 34.7264 40.386 -1.17507 -0.733052 -1.17511 -0.941613 GPRESSAVG: 2591400 2.11066 33.3524 0.56208 36.2755 41.7564 -2.35452 0.363095 0.221064 -0.914717 TIMING: 2591400 CPU: 8191.46, 0.00314895/step Wall: 8191.46, 0.00314895/step, 2.10682 hours remaining, 239.125000 MB of memory in use. ENERGY: 2591400 3926.2687 20641.9344 14533.8161 266.6850 -203437.6316 2579.0057 0.0000 0.0000 52251.1139 -109238.8078 300.2879 -161489.9218 -108873.8041 300.2423 126.7322 155.3388 758187.4550 14.0887 14.3175 PRESSURE: 2591600 367.487 23.072 22.1069 23.0711 77.0228 153.952 22.1071 153.951 113.686 GPRESSURE: 2591600 355.191 -3.57291 -54.2475 20.8556 150.694 252.932 -7.25193 28.3797 106.928 PRESSAVG: 2591600 42.4538 -6.7059 69.8285 -6.70591 -17.8193 39.9124 69.8285 39.9123 19.8087 GPRESSAVG: 2591600 42.6463 -4.93828 70.4776 -6.51042 -18.388 41.0739 69.1455 38.3075 20.3497 TIMING: 2591600 CPU: 8192.09, 0.00314799/step Wall: 8192.09, 0.00314799/step, 2.106 hours remaining, 239.125000 MB of memory in use. ENERGY: 2591600 3948.7612 20662.7219 14522.6821 246.9887 -203547.3542 2617.4214 0.0000 0.0000 52225.8787 -109322.9001 300.1428 -161548.7788 -108965.4914 299.7359 186.0652 204.2710 759020.7860 14.8144 14.8693 PRESSURE: 2591800 -94.7699 -16.1744 -38.3389 -16.1747 -72.4387 -67.8466 -38.339 -67.8469 -52.6864 GPRESSURE: 2591800 -104.717 24.4192 -53.3153 22.0523 -2.61773 -106.263 -36.9959 -33.465 -54.0325 PRESSAVG: 2591800 3.92657 -47.0337 2.04063 -47.0337 -35.2802 -51.9498 2.04068 -51.9498 4.25289 GPRESSAVG: 2591800 4.66043 -50.4717 0.725116 -46.871 -35.0352 -53.7377 2.82269 -51.1948 3.31245 TIMING: 2591800 CPU: 8192.71, 0.00312752/step Wall: 8192.71, 0.00312752/step, 2.09213 hours remaining, 239.125000 MB of memory in use. ENERGY: 2591800 3980.2405 20581.3754 14535.2885 246.7919 -203216.3578 2382.1125 0.0000 0.0000 52087.1037 -109403.4453 299.3453 -161490.5489 -109033.8825 299.7803 -73.2984 -53.7890 759207.4589 -9.0336 -9.0208 PRESSURE: 2592000 -272.713 -109.284 103.61 -109.284 41.8914 55.8403 103.61 55.8399 -24.3785 GPRESSURE: 2592000 -231.187 -176.106 44.6854 -160.784 80.936 64.4147 27.1336 76.586 -19.3298 PRESSAVG: 2592000 -21.9788 -34.6633 61.2899 -34.6633 -26.5866 -2.28157 61.2899 -2.28158 -7.45794 GPRESSAVG: 2592000 -23.1047 -31.2284 61.4574 -36.467 -25.8936 -1.65821 60.9247 -1.99811 -7.40559 TIMING: 2592000 CPU: 8193.34, 0.00314329/step Wall: 8193.34, 0.00314329/step, 2.10251 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2592000 3937.3612 20597.6085 14510.6660 215.8336 -202919.6440 2385.6974 0.0000 0.0000 52159.2865 -109113.1907 299.7601 -161272.4772 -108741.3981 299.8756 -85.0668 -56.5268 761917.2977 -18.6744 -18.8013 PRESSURE: 2592200 25.2237 28.5587 183.325 28.5577 -36.8495 4.90871 183.325 4.90808 91.3052 GPRESSURE: 2592200 33.2364 81.1866 181.668 -87.1976 17.6078 -77.1222 93.6956 15.5647 131.035 PRESSAVG: 2592200 -10.2692 -48.2138 49.9184 -48.2138 8.38212 -3.74143 49.9185 -3.74142 -8.81808 GPRESSAVG: 2592200 -8.93096 -49.2473 50.2771 -47.6811 6.66991 -3.4243 50.8467 -4.07652 -8.53869 TIMING: 2592200 CPU: 8193.97, 0.00315414/step Wall: 8193.97, 0.00315414/step, 2.1096 hours remaining, 239.125000 MB of memory in use. ENERGY: 2592200 3995.9208 20446.1619 14576.0091 268.9013 -203148.8413 2514.1643 0.0000 0.0000 52032.3262 -109315.3577 299.0305 -161347.6839 -108956.6030 299.4352 26.5598 60.6263 759309.0786 -3.5684 -3.5999 LDB: ============= START OF LOAD BALANCING ============== 8206.37 LDB: ============== END OF LOAD BALANCING =============== 8206.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8206.37 LDB: ============= START OF LOAD BALANCING ============== 8206.69 LDB: Largest compute 7059 load 0.036353 is 18.5% of average load 0.196001 LDB: Average compute 0.004385 is 2.2% of average load 0.196001 LDB: TIME 8206.69 LOAD: AVG 0.196001 MAX 0.213708 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 8206.69 LOAD: AVG 0.196001 MAX 0.213708 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 8206.69 LOAD: AVG 0.196001 MAX 0.213708 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 8206.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8206.7 PRESSURE: 2592400 -151.889 57.5276 3.43467 57.5278 203.621 142.001 3.43407 142.001 212.469 GPRESSURE: 2592400 -65.3016 111.659 9.0846 -8.09077 227.844 82.4563 47.3315 120.855 198.555 PRESSAVG: 2592400 19.0783 -27.3367 48.6342 -27.3367 -20.4143 -2.14976 48.6341 -2.14979 -22.8912 GPRESSAVG: 2592400 17.6595 -27.847 47.8135 -26.2113 -18.812 -2.19168 50.4049 -3.65508 -23.0353 TIMING: 2592400 CPU: 8194.62, 0.00321333/step Wall: 8194.62, 0.00321333/step, 2.149 hours remaining, 237.570312 MB of memory in use. ENERGY: 2592400 3940.6475 20458.7942 14553.6486 255.2439 -203368.6748 2560.7005 0.0000 0.0000 52234.4252 -109365.2149 300.1920 -161599.6401 -108997.5841 299.2686 88.0670 120.3658 760195.0917 -8.0758 -8.0626 PRESSURE: 2592600 -245.943 116.668 188.597 116.668 -243.739 84.233 188.598 84.2318 -10.9984 GPRESSURE: 2592600 -135.796 213.94 180.803 149.232 -226.222 80.9499 113.355 69.0737 -62.9731 PRESSAVG: 2592600 -46.0397 -29.7543 -16.6818 -29.7544 31.9931 -21.9117 -16.6818 -21.9118 9.58817 GPRESSAVG: 2592600 -44.9708 -29.8369 -16.3901 -30.6136 32.1152 -21.8853 -19.0175 -22.2299 8.91355 TIMING: 2592600 CPU: 8195.25, 0.00315006/step Wall: 8195.25, 0.00315006/step, 2.10651 hours remaining, 237.773438 MB of memory in use. ENERGY: 2592600 4019.7663 20446.1239 14425.2719 242.6296 -203537.6973 2598.7761 0.0000 0.0000 52319.5423 -109485.5871 300.6811 -161805.1294 -109114.5034 299.4779 -166.8934 -141.6635 761555.0437 -1.4862 -1.3140 PRESSURE: 2592800 -282.557 136.381 -94.9902 136.381 -446.601 -243.124 -94.9899 -243.124 -149.131 GPRESSURE: 2592800 -229.868 84.278 -75.6158 -9.89431 -363.07 -256.413 31.6131 -250.504 -209.432 PRESSAVG: 2592800 -5.92844 -31.8955 -6.28078 -31.8955 -47.0429 -18.0192 -6.28076 -18.0193 1.59756 GPRESSAVG: 2592800 -7.86819 -31.9478 -4.79519 -32.6067 -46.1244 -19.8354 -5.1909 -17.1421 1.79116 TIMING: 2592800 CPU: 8195.88, 0.00315327/step Wall: 8195.88, 0.00315327/step, 2.10849 hours remaining, 237.773438 MB of memory in use. ENERGY: 2592800 4006.9659 20517.1570 14493.1232 237.0223 -203399.7954 2362.6559 0.0000 0.0000 52335.2073 -109447.6639 300.7712 -161782.8712 -109083.0415 299.3292 -292.7629 -267.4567 761734.6750 -17.1246 -17.4005 PRESSURE: 2593000 26.7392 -41.1519 53.0919 -41.1516 16.5819 105.365 53.0928 105.365 22.9872 GPRESSURE: 2593000 142.848 -46.5636 -35.3587 51.58 -13.6776 122.037 121.546 160.831 16.2269 PRESSAVG: 2593000 42.5074 -24.5876 18.4321 -24.5875 -22.9974 -23.2817 18.4322 -23.2816 11.3098 GPRESSAVG: 2593000 45.3702 -23.9011 15.9478 -25.282 -24.695 -20.9643 18.3691 -22.3781 10.4524 TIMING: 2593000 CPU: 8196.51, 0.00314845/step Wall: 8196.51, 0.00314845/step, 2.10509 hours remaining, 237.773438 MB of memory in use. ENERGY: 2593000 4010.5057 20518.2675 14494.6687 251.2912 -203208.1013 2452.4815 0.0000 0.0000 52140.8779 -109340.0089 299.6543 -161480.8867 -108983.9264 299.3886 22.1028 48.4659 761338.8010 10.2733 10.3759 PRESSURE: 2593200 -50.7744 -135.58 -80.7305 -135.581 56.3759 64.8538 -80.7304 64.8541 114.998 GPRESSURE: 2593200 101.922 -87.079 -67.5624 -228.1 -12.3628 161.415 -6.63821 -69.412 108.436 PRESSAVG: 2593200 60.5451 -29.2668 53.0083 -29.2668 -48.8734 -12.4779 53.0083 -12.478 -26.5676 GPRESSAVG: 2593200 58.7027 -27.3637 53.972 -29.5192 -47.1901 -12.6065 53.0869 -13.6897 -26.22 TIMING: 2593200 CPU: 8197.13, 0.00313777/step Wall: 8197.13, 0.00313777/step, 2.09777 hours remaining, 237.773438 MB of memory in use. ENERGY: 2593200 4065.3037 20485.1075 14499.6921 262.6278 -203303.2591 2486.3916 0.0000 0.0000 52121.4922 -109382.6443 299.5429 -161504.1365 -109022.7244 299.8010 40.1998 65.9981 760355.6720 -4.9653 -4.9025 PRESSURE: 2593400 363.908 15.3655 -40.4212 15.3658 -119.342 -45.6376 -40.4217 -45.6376 61.1656 GPRESSURE: 2593400 364.666 -16.1888 -22.4441 -13.3643 -76.4807 -121.682 66.6394 -32.2472 111.594 PRESSAVG: 2593400 34.6749 15.8004 2.01252 15.8004 -37.3676 -18.7803 2.01251 -18.7803 2.04324 GPRESSAVG: 2593400 35.8366 13.9475 1.10538 18.0034 -39.1366 -19.625 2.63452 -20.0604 2.65722 TIMING: 2593400 CPU: 8197.77, 0.0031695/step Wall: 8197.77, 0.0031695/step, 2.11881 hours remaining, 237.773438 MB of memory in use. ENERGY: 2593400 4041.0173 20580.3377 14521.8844 278.1645 -203169.1894 2464.6015 0.0000 0.0000 52053.3346 -109229.8493 299.1512 -161283.1839 -108883.6068 299.4933 101.9107 133.2598 759929.8777 -0.2165 -0.2143 PRESSURE: 2593600 -130.508 -98.7412 13.0299 -98.7416 40.8754 2.2983 13.0305 2.29859 10.0246 GPRESSURE: 2593600 -48.6801 -40.1816 -65.28 -26.4565 67.3734 93.7288 1.10176 -84.2888 -20.5105 PRESSAVG: 2593600 -16.435 -16.1224 28.725 -16.1224 -10.0817 -38.7456 28.725 -38.7456 5.32952 GPRESSAVG: 2593600 -17.7807 -16.1605 31.7103 -15.627 -8.69541 -38.378 28.9981 -38.6667 5.07212 TIMING: 2593600 CPU: 8198.4, 0.00316172/step Wall: 8198.4, 0.00316172/step, 2.11343 hours remaining, 237.773438 MB of memory in use. ENERGY: 2593600 3999.2005 20694.4149 14505.6246 258.4210 -202904.5245 2316.1285 0.0000 0.0000 52012.1949 -109118.5400 298.9148 -161130.7349 -108761.4725 300.0574 -26.5360 -0.6058 761278.8830 -7.0624 -7.1347 PRESSURE: 2593800 110.393 41.458 20.2149 41.4581 41.0839 89.5609 20.2141 89.5614 -251.188 GPRESSURE: 2593800 153.336 -105.065 14.5668 17.7876 114.421 108.53 -32.5877 40.2807 -276.594 PRESSAVG: 2593800 6.39673 -9.0949 -34.927 -9.09491 5.65691 -26.0416 -34.927 -26.0414 4.4426 GPRESSAVG: 2593800 7.11194 -9.81939 -36.733 -10.6739 4.44437 -26.9004 -36.5229 -24.4502 4.73758 TIMING: 2593800 CPU: 8199.03, 0.00314599/step Wall: 8199.03, 0.003146/step, 2.10275 hours remaining, 237.773438 MB of memory in use. ENERGY: 2593800 4043.9030 20544.7807 14489.7293 250.4298 -202898.5200 2404.8617 0.0000 0.0000 52120.3778 -109044.4376 299.5365 -161164.8154 -108676.6080 299.9465 -33.2372 -2.9460 760343.7049 5.4987 5.4313 PRESSURE: 2594000 258.004 -20.5968 156.713 -20.5967 -102.025 6.93101 156.713 6.93061 317.612 GPRESSURE: 2594000 289.097 -101.547 164.832 -8.82189 -145.315 -4.88873 144.021 -81.9143 417.33 PRESSAVG: 2594000 -13.8689 -62.648 -8.2606 -62.648 -54.8884 -40.3741 -8.26062 -40.3741 -7.26369 GPRESSAVG: 2594000 -14.4177 -62.2714 -8.60732 -61.4625 -53.8308 -40.397 -7.85602 -39.3815 -7.12637 TIMING: 2594000 CPU: 8199.66, 0.00317264/step Wall: 8199.66, 0.00317265/step, 2.12038 hours remaining, 237.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2594000 4008.0569 20497.1078 14443.5764 238.1221 -202940.4515 2533.8357 0.0000 0.0000 52132.6480 -109087.1046 299.6070 -161219.7527 -108723.8440 299.9457 157.8636 187.0375 763010.3689 -25.3403 -25.1249 PRESSURE: 2594200 -20.7146 -167.66 -99.6446 -167.66 -99.0844 -43.685 -99.6459 -43.6845 -96.17 GPRESSURE: 2594200 62.71 -97.6468 -78.3354 -77.4506 -101.793 9.38344 -15.3154 -41.7898 -71.2144 PRESSAVG: 2594200 38.6349 -55.3257 -29.1061 -55.3257 15.1577 34.3274 -29.1061 34.3273 8.43897 GPRESSAVG: 2594200 39.2315 -53.4893 -27.8288 -54.9527 13.3617 36.0711 -28.7016 30.8705 9.45342 TIMING: 2594200 CPU: 8200.3, 0.00316144/step Wall: 8200.3, 0.00316144/step, 2.11272 hours remaining, 237.773438 MB of memory in use. ENERGY: 2594200 4028.2407 20389.3918 14468.4029 248.3915 -203369.0487 2720.8616 0.0000 0.0000 52184.2871 -109329.4732 299.9038 -161513.7603 -108966.2122 299.7460 -71.9897 -36.7659 762254.0634 20.7439 20.6822 PRESSURE: 2594400 376.775 -141.675 -55.2488 -141.675 333.373 -81.7776 -55.2487 -81.7775 413.097 GPRESSURE: 2594400 443.908 -247.576 -41.8522 -105.01 359.609 -32.3965 -15.568 -211.856 421.198 PRESSAVG: 2594400 -8.03762 -53.3316 1.41381 -53.3316 -21.6893 -11.101 1.41381 -11.1009 1.12007 GPRESSAVG: 2594400 -9.79974 -54.5555 1.08891 -54.6738 -19.9042 -11.7685 0.625862 -9.46058 0.746327 TIMING: 2594400 CPU: 8200.93, 0.00314668/step Wall: 8200.93, 0.00314668/step, 2.10268 hours remaining, 237.773438 MB of memory in use. ENERGY: 2594400 3822.9736 20601.8262 14496.7522 252.0548 -204088.0305 3125.3665 0.0000 0.0000 52292.2099 -109496.8474 300.5240 -161789.0573 -109123.5492 299.2501 374.4152 408.2383 760926.9085 -9.5356 -9.6525 PRESSURE: 2594600 -176.092 -27.0375 135.981 -27.0381 125.762 182.778 135.981 182.776 -248.362 GPRESSURE: 2594600 -140.998 -41.4013 96.6995 -57.3373 145.619 188.607 -32.9968 227.142 -213.305 PRESSAVG: 2594600 -1.44568 -51.3516 -14.2826 -51.3516 -47.9716 23.7771 -14.2826 23.7771 1.4 GPRESSAVG: 2594600 0.0787348 -50.9874 -16.5244 -52.37 -48.4377 23.3429 -15.1979 23.7699 0.365663 TIMING: 2594600 CPU: 8201.55, 0.00314252/step Wall: 8201.55, 0.00314252/step, 2.09973 hours remaining, 237.773438 MB of memory in use. ENERGY: 2594600 4002.3106 20417.2945 14535.6793 247.0456 -203461.9767 2592.1095 0.0000 0.0000 52308.9065 -109358.6306 300.6200 -161667.5371 -108994.1749 299.0539 -99.5638 -69.5613 763060.2884 -16.0058 -15.9978 PRESSURE: 2594800 169.769 162.757 93.2237 162.757 4.2244 -18.5525 93.2235 -18.5526 -267.755 GPRESSURE: 2594800 204.985 111.965 157.473 35.2241 22.4805 46.8461 72.1441 -136.984 -235.047 PRESSAVG: 2594800 9.09306 -47.5227 14.2332 -47.5227 -22.4067 16.7335 14.2332 16.7335 -0.894353 GPRESSAVG: 2594800 9.51231 -46.1034 15.8562 -48.3055 -22.9022 17.3762 14.7073 17.6429 -0.508742 TIMING: 2594800 CPU: 8202.18, 0.00314138/step Wall: 8202.18, 0.00314138/step, 2.09879 hours remaining, 237.773438 MB of memory in use. ENERGY: 2594800 3942.7912 20595.4116 14488.8307 253.2171 -203140.5007 2376.6943 0.0000 0.0000 52075.3580 -109408.1979 299.2778 -161483.5558 -109052.4072 299.4694 -31.2539 -2.5271 762464.6873 -4.7360 -4.6329 PRESSURE: 2595000 -110.562 -3.24593 84.1892 -3.24676 -346.446 -103.532 84.1891 -103.532 341.733 GPRESSURE: 2595000 35.1672 -29.3835 136.462 67.3226 -361.082 -123.66 65.8283 -49.8533 317.214 PRESSAVG: 2595000 24.9306 47.0826 27.1687 47.0825 9.70061 34.951 27.1687 34.951 9.0148 GPRESSAVG: 2595000 24.1715 45.9299 26.9211 47.9453 9.94321 33.4007 27.3922 34.4566 8.70145 TIMING: 2595000 CPU: 8202.81, 0.00313828/step Wall: 8202.81, 0.00313828/step, 2.09654 hours remaining, 237.773438 MB of memory in use. ENERGY: 2595000 3996.1787 20402.0082 14447.9011 248.3585 -203138.6720 2334.3805 0.0000 0.0000 52108.8468 -109600.9984 299.4703 -161709.8451 -109238.3863 298.7277 -38.4247 -2.9003 762607.4803 14.5487 14.2721 PRESSURE: 2595200 47.7716 -232.783 144.398 -232.783 -104.349 272.444 144.397 272.444 12.9085 GPRESSURE: 2595200 43.8644 -98.0289 52.5659 -163.74 -12.5152 291.731 152.358 226.292 7.7754 PRESSAVG: 2595200 25.5304 -7.93863 -1.86368 -7.93863 -3.70331 -3.52444 -1.86368 -3.52446 -6.2891 GPRESSAVG: 2595200 25.3982 -7.59392 -2.63278 -7.3194 -2.32668 -1.16027 -1.55607 -5.32302 -7.50077 TIMING: 2595200 CPU: 8203.44, 0.00314478/step Wall: 8203.44, 0.00314478/step, 2.10071 hours remaining, 237.773438 MB of memory in use. ENERGY: 2595200 3965.1835 20561.0811 14459.8796 245.0355 -203530.5789 2606.2676 0.0000 0.0000 51866.9556 -109826.1761 298.0801 -161693.1317 -109473.6536 298.7656 -14.5563 13.0416 762805.8450 5.1793 5.1902 PRESSURE: 2595400 -20.8417 232.09 -227.705 232.091 -326.211 47.5772 -227.704 47.5776 24.9389 GPRESSURE: 2595400 -58.963 137.888 -171.905 232.329 -286.149 -37.1491 -252.251 93.7422 66.7743 PRESSAVG: 2595400 14.0603 13.7869 6.86128 13.787 -54.7159 5.27049 6.86132 5.27063 8.55117 GPRESSAVG: 2595400 13.6394 13.6533 8.9848 13.0229 -54.0615 2.78622 5.02848 8.42373 9.14135 TIMING: 2595400 CPU: 8204.06, 0.00312045/step Wall: 8204.06, 0.00312045/step, 2.08429 hours remaining, 237.773438 MB of memory in use. ENERGY: 2595400 3997.7117 20416.8884 14467.1940 259.6287 -203408.7302 2516.1228 0.0000 0.0000 51790.4409 -109960.7436 297.6404 -161751.1845 -109596.2668 298.1377 -107.3713 -92.7792 761838.7661 -10.7015 -10.4269 PRESSURE: 2595600 -254.985 61.9397 70.1387 61.9393 231.012 -141.505 70.1387 -141.504 -105.133 GPRESSURE: 2595600 -129.805 -42.1123 137.601 148.955 162.075 -116.364 10.8063 -173.069 -63.3773 PRESSAVG: 2595600 74.7707 -49.0881 -26.2591 -49.0882 -10.8931 -5.16696 -26.259 -5.16697 5.99609 GPRESSAVG: 2595600 75.9654 -48.9901 -27.2771 -47.6328 -12.3432 -5.41229 -24.7451 -6.90273 7.08407 TIMING: 2595600 CPU: 8204.69, 0.00312591/step Wall: 8204.69, 0.00312591/step, 2.08776 hours remaining, 237.773438 MB of memory in use. ENERGY: 2595600 3991.1098 20503.0053 14493.9866 254.4479 -204141.1458 3016.4298 0.0000 0.0000 51707.4710 -110174.6954 297.1635 -161882.1664 -109806.1415 297.8755 -43.0356 -10.3691 759429.9998 23.2912 23.5687 PRESSURE: 2595800 -111.324 32.0508 279.03 32.0513 49.0874 93.3059 279.031 93.3058 -104.703 GPRESSURE: 2595800 -22.5948 131.18 214.225 106.175 45.5138 30.4665 318.516 263.663 -101.278 PRESSAVG: 2595800 -32.4292 -37.9733 40.0797 -37.9732 15.4536 -18.4759 40.0797 -18.4759 19.3024 GPRESSAVG: 2595800 -32.9045 -38.1455 39.5802 -37.7141 16.134 -17.4062 42.2583 -19.0101 18.8075 TIMING: 2595800 CPU: 8205.32, 0.00313353/step Wall: 8205.32, 0.00313353/step, 2.09268 hours remaining, 237.773438 MB of memory in use. ENERGY: 2595800 3897.9157 20386.7983 14483.3702 254.3711 -203318.0493 2417.5765 0.0000 0.0000 51798.2969 -110079.7207 297.6855 -161878.0176 -109709.8528 297.9488 -55.6466 -26.1196 760089.0235 0.7756 0.6790 PRESSURE: 2596000 25.3953 48.5935 11.7412 48.5938 272.12 -0.553777 11.7407 -0.553935 75.5194 GPRESSURE: 2596000 3.72786 -90.6758 47.2163 -71.4866 394.444 -104.039 -35.0541 -29.4366 66.0433 PRESSAVG: 2596000 15.7433 -11.5687 -8.18977 -11.5687 -7.31824 -13.6649 -8.18973 -13.665 -7.43454 GPRESSAVG: 2596000 14.8422 -13.0272 -7.83092 -11.0341 -6.77744 -13.4781 -10.3355 -13.2866 -7.70369 TIMING: 2596000 CPU: 8205.94, 0.00313833/step Wall: 8205.94, 0.00313833/step, 2.09571 hours remaining, 237.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2596000 3970.7780 20510.0106 14529.4789 250.4340 -204127.5048 2709.1640 0.0000 0.0000 52206.0350 -109951.6043 300.0288 -162157.6393 -109580.8792 298.1973 124.3450 154.7384 759694.5291 0.3302 0.1204 PRESSURE: 2596200 -40.7046 117.782 -8.8609 117.781 -15.2429 -86.5061 -8.8612 -86.5051 -286.716 GPRESSURE: 2596200 -52.5079 213.344 5.71195 97.9063 68.0118 -61.737 -9.92121 -150.065 -246.931 PRESSAVG: 2596200 13.6738 -18.1181 -9.47793 -18.1181 32.0217 -32.017 -9.47795 -32.0171 6.66901 GPRESSAVG: 2596200 15.3352 -17.9539 -8.32779 -18.5002 30.1916 -32.7958 -10.5452 -32.4943 7.3254 TIMING: 2596200 CPU: 8206.57, 0.00314342/step Wall: 8206.57, 0.00314342/step, 2.09893 hours remaining, 237.773438 MB of memory in use. ENERGY: 2596200 3979.7767 20375.4729 14471.9806 254.6538 -203587.0173 2459.8600 0.0000 0.0000 51883.2068 -110162.0665 298.1735 -162045.2733 -109808.5019 298.2230 -114.2211 -77.1423 761665.9189 17.4548 17.6174 LDB: ============= START OF LOAD BALANCING ============== 8218.97 LDB: ============== END OF LOAD BALANCING =============== 8218.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8218.97 LDB: ============= START OF LOAD BALANCING ============== 8219.29 LDB: Largest compute 7058 load 0.035102 is 17.9% of average load 0.195966 LDB: Average compute 0.004381 is 2.2% of average load 0.195966 LDB: TIME 8219.29 LOAD: AVG 0.195966 MAX 0.215418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.34 MB LDB: TIME 8219.29 LOAD: AVG 0.195966 MAX 0.215418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.344 MB LDB: TIME 8219.29 LOAD: AVG 0.195966 MAX 0.215418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.344 MB LDB: ============== END OF LOAD BALANCING =============== 8219.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8219.3 PRESSURE: 2596400 58.9519 -153.555 -12.0232 -153.556 -86.609 -77.7937 -12.0228 -77.7938 192.464 GPRESSURE: 2596400 121.39 -132.339 -84.9693 -128.44 -126.188 35.5017 88.175 7.9034 247.844 PRESSAVG: 2596400 23.4678 -29.7106 -19.6319 -29.7106 45.586 -13.327 -19.6319 -13.327 9.15932 GPRESSAVG: 2596400 24.1107 -27.123 -21.9817 -31.3282 45.0314 -13.7989 -17.1451 -10.3189 9.51678 TIMING: 2596400 CPU: 8207.22, 0.00321918/step Wall: 8207.22, 0.00321918/step, 2.14934 hours remaining, 238.410156 MB of memory in use. ENERGY: 2596400 3915.8761 20431.3036 14515.7358 242.2275 -203821.0812 2719.7426 0.0000 0.0000 51901.0438 -110095.1517 298.2760 -161996.1955 -109730.8321 298.2692 54.9355 81.0154 760480.6232 26.0710 26.2196 PRESSURE: 2596600 -132.171 70.3722 180.227 70.3721 -268.051 178.502 180.227 178.503 -94.9082 GPRESSURE: 2596600 -110.555 74.712 185.4 183.166 -161.383 221.54 130.194 -4.02004 -143.271 PRESSAVG: 2596600 21.0981 -4.21975 9.01021 -4.21974 -51.9938 33.4459 9.0102 33.4459 38.9026 GPRESSAVG: 2596600 20.8692 -4.51455 10.4395 -4.38531 -50.3311 34.7324 8.09129 32.4417 38.0671 TIMING: 2596600 CPU: 8207.85, 0.0031579/step Wall: 8207.85, 0.0031579/step, 2.10825 hours remaining, 238.613281 MB of memory in use. ENERGY: 2596600 3925.4713 20343.1291 14499.5871 241.7231 -203498.0807 2528.1897 0.0000 0.0000 51966.9526 -109993.0278 298.6548 -161959.9804 -109631.1024 297.5708 -165.0433 -138.4030 761307.7257 2.6690 2.8684 PRESSURE: 2596800 179.147 -96.4995 42.8099 -96.5 -57.1097 -173.355 42.8094 -173.355 -131.613 GPRESSURE: 2596800 134.209 -112.127 75.8176 -199.147 67.1947 -233.207 67.5055 -161.536 -129.491 PRESSAVG: 2596800 34.4493 9.68261 -15.038 9.68261 -32.9322 -12.4837 -15.038 -12.4838 -24.4605 GPRESSAVG: 2596800 33.538 7.83634 -15.1156 11.9326 -32.0242 -14.3842 -14.7702 -12.5199 -24.1219 TIMING: 2596800 CPU: 8208.48, 0.00316019/step Wall: 8208.48, 0.00316019/step, 2.1096 hours remaining, 238.613281 MB of memory in use. ENERGY: 2596800 3910.8758 20561.4199 14521.2243 240.5974 -203647.8238 2584.3259 0.0000 0.0000 51852.8945 -109976.4860 297.9993 -161829.3805 -109624.0679 298.0750 -3.1917 23.9710 761829.2410 -7.6478 -7.5360 PRESSURE: 2597000 98.1064 -162.796 195.969 -162.797 63.1254 -67.1211 195.969 -67.1211 199.263 GPRESSURE: 2597000 48.4173 -143.114 171.683 -180.938 133.267 -65.5652 94.435 26.6935 268.125 PRESSAVG: 2597000 21.0672 -4.151 3.24115 -4.151 -47.8997 -17.323 3.24116 -17.3231 25.5419 GPRESSAVG: 2597000 20.7356 -3.68167 0.316886 -6.47352 -47.5835 -17.0713 3.9926 -17.7883 25.5804 TIMING: 2597000 CPU: 8209.11, 0.00315377/step Wall: 8209.11, 0.00315377/step, 2.10514 hours remaining, 238.613281 MB of memory in use. ENERGY: 2597000 3870.8631 20471.5489 14423.4192 230.5712 -203559.0912 2739.2361 0.0000 0.0000 51938.9619 -109884.4909 298.4939 -161823.4527 -109531.2035 297.9429 120.1649 149.9361 761898.9896 -0.4302 -0.4225 PRESSURE: 2597200 -13.8668 204.115 144.396 204.115 -7.14563 -46.0024 144.396 -46.0023 316.89 GPRESSURE: 2597200 15.7684 109.896 139.962 133.955 41.0526 -27.5591 119.222 -13.4348 331.583 PRESSAVG: 2597200 -16.9655 -38.2696 -28.0641 -38.2695 12.6879 -0.675258 -28.0641 -0.675243 16.3435 GPRESSAVG: 2597200 -16.6504 -39.9965 -27.0441 -35.6339 10.6575 -0.342487 -28.964 0.235507 17.333 TIMING: 2597200 CPU: 8209.74, 0.00315126/step Wall: 8209.74, 0.00315126/step, 2.10329 hours remaining, 238.613281 MB of memory in use. ENERGY: 2597200 3894.8770 20415.2234 14560.8158 256.8051 -203565.8976 2825.9820 0.0000 0.0000 51914.2425 -109697.9517 298.3519 -161612.1942 -109345.0465 298.3106 98.6260 129.4680 760502.7415 4.0220 3.7800 PRESSURE: 2597400 -247.958 -185.962 -172.6 -185.962 -126.541 -201.077 -172.6 -201.076 226.828 GPRESSURE: 2597400 -149.353 -242.638 -169.477 -64.623 -177.521 -133.883 -173.604 -175.63 269.931 PRESSAVG: 2597400 6.90581 -19.8811 -5.59633 -19.8812 10.6225 1.84013 -5.59629 1.84 -1.14833 GPRESSAVG: 2597400 7.86273 -16.9822 -3.30779 -21.8136 11.0316 1.40124 -6.03416 2.54123 -2.30808 TIMING: 2597400 CPU: 8210.37, 0.00315171/step Wall: 8210.37, 0.00315171/step, 2.10342 hours remaining, 238.613281 MB of memory in use. ENERGY: 2597400 3900.4555 20303.0570 14516.2674 260.0921 -203218.4560 2479.1119 0.0000 0.0000 52124.4541 -109635.0180 299.5600 -161759.4721 -109271.8825 298.6594 -49.2237 -18.9810 761827.7243 5.4600 5.5287 PRESSURE: 2597600 342.972 -69.1411 1.36529 -69.1409 38.3897 186.714 1.36552 186.714 -40.4282 GPRESSURE: 2597600 328.62 102.095 123.087 -118.581 177.209 150.475 -41.7542 140.507 -89.2629 PRESSAVG: 2597600 1.34885 -35.7372 72.3344 -35.7372 1.37976 -15.9361 72.3343 -15.9361 -6.17317 GPRESSAVG: 2597600 1.75745 -35.2734 72.7841 -34.682 0.995618 -14.3537 72.6607 -18.8417 -6.38863 TIMING: 2597600 CPU: 8211, 0.00315806/step Wall: 8211, 0.00315807/step, 2.10748 hours remaining, 238.613281 MB of memory in use. ENERGY: 2597600 4044.5720 20319.3478 14511.1474 233.0395 -203111.3393 2649.0715 0.0000 0.0000 51763.2223 -109590.9388 297.4839 -161354.1611 -109246.8412 297.9965 113.6444 138.8554 760402.5805 -1.1482 -1.2119 PRESSURE: 2597800 -215.008 208.22 210.006 208.22 -373.659 75.0485 210.006 75.049 -220.924 GPRESSURE: 2597800 -177.868 277.173 238.849 255.049 -340.008 139.741 141.967 99.4268 -197.931 PRESSAVG: 2597800 39.8826 -33.286 12.099 -33.286 -38.0809 42.4048 12.0989 42.4048 -4.87504 GPRESSAVG: 2597800 39.604 -33.8277 8.01935 -36.359 -37.7315 40.3392 11.6575 45.1591 -4.54054 TIMING: 2597800 CPU: 8211.63, 0.00315757/step Wall: 8211.63, 0.00315757/step, 2.10698 hours remaining, 238.613281 MB of memory in use. ENERGY: 2597800 3995.9389 20474.9633 14517.8152 259.7665 -202997.6038 2164.5848 0.0000 0.0000 52050.2405 -109534.2946 299.1334 -161584.5351 -109173.3935 298.4089 -269.8635 -238.6021 761388.6055 -1.0244 -0.8894 PRESSURE: 2598000 -33.9427 -42.1888 91.0692 -42.1893 5.83966 262.157 91.0691 262.157 31.0155 GPRESSURE: 2598000 45.1162 -100.625 60.2201 -161.703 51.3815 271.973 120.743 208.363 -3.60618 PRESSAVG: 2598000 34.6955 -80.4508 10.1707 -80.4508 -40.5288 -2.9901 10.1707 -2.99015 -10.4467 GPRESSAVG: 2598000 34.9212 -79.7096 12.1166 -76.8432 -40.9876 -2.37185 11.1191 -4.74813 -9.87784 TIMING: 2598000 CPU: 8212.26, 0.00313538/step Wall: 8212.26, 0.00313538/step, 2.092 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2598000 3906.9152 20411.8957 14488.0254 254.9697 -203087.1038 2521.5574 0.0000 0.0000 52111.6127 -109392.1277 299.4862 -161503.7405 -109026.5074 299.1057 0.9708 30.9638 760011.0857 -5.4267 -5.3147 PRESSURE: 2598200 -134.091 2.414 -35.0386 2.41319 -485.344 -51.2534 -35.0393 -51.2538 97.3079 GPRESSURE: 2598200 -71.0322 -10.8949 -82.4437 55.9882 -430.51 110.984 -131.415 -63.3364 61.7283 PRESSAVG: 2598200 -33.0932 -9.71502 10.519 -9.71498 50.7268 56.4108 10.519 56.4108 7.25472 GPRESSAVG: 2598200 -33.3404 -9.5315 10.9477 -12.762 51.4345 57.6787 10.5753 58.8874 6.41956 TIMING: 2598200 CPU: 8212.89, 0.00313092/step Wall: 8212.89, 0.00313092/step, 2.08885 hours remaining, 238.613281 MB of memory in use. ENERGY: 2598200 4011.9930 20465.5222 14460.8513 253.1401 -203039.2990 2221.0944 0.0000 0.0000 52318.4519 -109308.2460 300.6749 -161626.6979 -108936.7088 299.3103 -174.0424 -146.6046 761169.8940 8.2961 8.1712 PRESSURE: 2598400 -325.369 1.52699 -28.5411 1.52678 -131.323 -101.494 -28.5417 -101.493 -16.7194 GPRESSURE: 2598400 -238.677 -91.6495 -44.3095 -116.24 -91.784 -59.4483 22.3842 -116.313 -68.1049 PRESSAVG: 2598400 -54.304 14.3246 19.1597 14.3246 82.8561 -5.25351 19.1597 -5.25349 -13.4863 GPRESSAVG: 2598400 -53.5895 12.5247 19.8932 14.4288 81.5727 -4.08434 17.8066 -8.91463 -12.8698 TIMING: 2598400 CPU: 8213.51, 0.00312821/step Wall: 8213.51, 0.00312821/step, 2.08686 hours remaining, 238.613281 MB of memory in use. ENERGY: 2598400 4067.8148 20658.0914 14487.4406 239.1508 -202975.4320 2355.4808 0.0000 0.0000 52056.8383 -109110.6152 299.1714 -161167.4535 -108752.7561 299.2786 -157.8038 -132.8552 761406.7913 5.0219 5.0378 PRESSURE: 2598600 94.2907 -228.912 5.01045 -228.913 50.7927 6.54797 5.01012 6.54836 375.488 GPRESSURE: 2598600 99.91 -158.025 -40.5018 -206.685 167.874 -52.9462 138.332 55.1421 352.843 PRESSAVG: 2598600 -46.5159 -10.9309 27.949 -10.931 30.2501 15.1948 27.9491 15.1949 -19.7141 GPRESSAVG: 2598600 -47.7814 -8.48414 26.2548 -9.08465 30.4251 13.338 29.0034 17.9142 -18.5246 TIMING: 2598600 CPU: 8214.14, 0.00314294/step Wall: 8214.14, 0.00314294/step, 2.09651 hours remaining, 238.613281 MB of memory in use. ENERGY: 2598600 4001.5926 20562.0500 14387.3649 248.0059 -203223.1059 2598.4592 0.0000 0.0000 52208.9098 -109216.7235 300.0453 -161425.6333 -108844.9727 299.4888 173.5239 206.8756 761856.4909 -11.9933 -11.9603 PRESSURE: 2598800 -159.431 75.6007 -62.859 75.6004 -141.464 79.8635 -62.859 79.8643 104.664 GPRESSURE: 2598800 -88.2963 50.3932 -14.0333 40.9089 -97.4505 -10.0655 -109.285 156.246 68.7557 PRESSAVG: 2598800 -1.33153 -4.51426 -8.50706 -4.51426 -0.410818 -54.5486 -8.50704 -54.5485 30.6651 GPRESSAVG: 2598800 -0.293045 -6.21809 -8.77813 -3.22109 -0.704861 -54.4363 -7.71418 -55.0629 29.4873 TIMING: 2598800 CPU: 8214.77, 0.00314283/step Wall: 8214.77, 0.00314283/step, 2.09627 hours remaining, 238.613281 MB of memory in use. ENERGY: 2598800 4024.6258 20404.8864 14467.9911 234.3023 -203360.3116 2686.6292 0.0000 0.0000 51991.3960 -109550.4809 298.7953 -161541.8769 -109188.1339 299.0353 -65.4100 -38.9970 761030.7606 9.6409 9.4965 PRESSURE: 2599000 40.0501 54.2635 41.5059 54.2642 184.75 -100.401 41.5058 -100.4 12.6093 GPRESSURE: 2599000 81.7716 46.7924 -89.3489 -6.90992 215.569 -106.839 69.449 -83.162 31.2578 PRESSAVG: 2599000 -38.6324 22.9275 23.3741 22.9275 -59.8809 -1.1412 23.3741 -1.14107 -10.2296 GPRESSAVG: 2599000 -39.6054 22.8059 23.3634 21.4505 -59.2553 -0.401481 21.34 -1.89452 -10.1317 TIMING: 2599000 CPU: 8215.4, 0.00314963/step Wall: 8215.4, 0.00314963/step, 2.10063 hours remaining, 238.613281 MB of memory in use. ENERGY: 2599000 4008.0220 20485.8295 14511.7297 250.6224 -203373.8069 2861.0715 0.0000 0.0000 51695.5928 -109560.9389 297.0953 -161256.5318 -109206.7474 298.7333 79.1366 109.5327 762933.8933 -36.2476 -36.3308 PRESSURE: 2599200 163.591 -40.9758 -46.9793 -40.9771 263.837 266.371 -46.98 266.371 102.583 GPRESSURE: 2599200 93.4838 -13.4953 -118.379 -168.44 357.338 253.753 37.8627 235.752 180.957 PRESSAVG: 2599200 -19.9248 54.265 17.204 54.265 -24.9617 18.1819 17.2041 18.1818 43.016 GPRESSAVG: 2599200 -19.4265 53.3659 18.8857 53.9627 -24.0926 16.9258 16.7802 19.3152 41.323 TIMING: 2599200 CPU: 8216.03, 0.00312689/step Wall: 8216.03, 0.00312689/step, 2.08529 hours remaining, 238.613281 MB of memory in use. ENERGY: 2599200 3982.7806 20323.7322 14456.9559 250.6105 -203296.4205 2655.4661 0.0000 0.0000 52138.1233 -109488.7518 299.6385 -161626.8751 -109131.1344 298.8841 176.6703 210.5927 760706.4889 -0.6235 -0.7320 PRESSURE: 2599400 -0.379885 -242.817 -29.5319 -242.817 -249.342 -151.57 -29.5322 -151.57 -185.342 GPRESSURE: 2599400 -10.9423 -183.906 -52.7801 -143.398 -188.219 -141.65 -56.4334 -195.683 -137.428 PRESSAVG: 2599400 -24.445 -99.73 15.6516 -99.73 14.1592 15.8653 15.6516 15.8653 -0.547174 GPRESSAVG: 2599400 -24.4284 -96.9746 14.2252 -100.822 13.6208 17.1523 16.0408 14.413 0.64022 TIMING: 2599400 CPU: 8216.66, 0.00316146/step Wall: 8216.66, 0.00316146/step, 2.10817 hours remaining, 238.613281 MB of memory in use. ENERGY: 2599400 3924.0112 20416.4824 14398.5566 247.3473 -203143.5358 2573.6686 0.0000 0.0000 51810.7615 -109772.7080 297.7572 -161583.4695 -109407.4480 298.4653 -145.0212 -112.1964 760949.8762 -3.6110 -3.3891 PRESSURE: 2599600 10.1235 70.9207 -279.399 70.9204 -373.508 176.843 -279.399 176.843 133.215 GPRESSURE: 2599600 30.53 152.09 -327.238 92.3709 -360.58 149.437 -265.604 203.845 203.162 PRESSAVG: 2599600 60.4611 -9.62273 -17.5754 -9.6227 -75.3126 38.7234 -17.5754 38.7234 -7.17925 GPRESSAVG: 2599600 61.2878 -9.03544 -18.3107 -7.39431 -75.1259 37.0648 -16.5721 41.17 -8.15928 TIMING: 2599600 CPU: 8217.29, 0.00314745/step Wall: 8217.29, 0.00314745/step, 2.09865 hours remaining, 238.613281 MB of memory in use. ENERGY: 2599600 3961.5182 20400.8491 14384.4462 262.3449 -202930.0483 2578.5133 0.0000 0.0000 51896.0913 -109446.2854 298.2476 -161342.3767 -109087.4761 298.3779 -76.7232 -42.2961 761727.3342 -7.3436 -7.3325 PRESSURE: 2599800 319.318 113.172 -54.1025 113.173 44.8254 180.787 -54.1034 180.787 -226.593 GPRESSURE: 2599800 352.293 82.8963 -34.0344 -134.203 -33.9968 134.453 43.1277 109.477 -118.752 PRESSAVG: 2599800 45.5652 -34.1841 18.6256 -34.1841 -20.0703 1.39147 18.6256 1.39135 -0.6944 GPRESSAVG: 2599800 43.8386 -36.1553 18.2026 -35.41 -19.4809 -0.582485 17.6759 2.24356 0.00113639 TIMING: 2599800 CPU: 8217.92, 0.00315037/step Wall: 8217.92, 0.00315037/step, 2.10042 hours remaining, 238.613281 MB of memory in use. ENERGY: 2599800 3830.6535 20521.5891 14463.6201 246.9620 -203396.3857 2495.8999 0.0000 0.0000 52117.4375 -109720.2236 299.5196 -161837.6611 -109358.8501 298.2159 45.8501 66.5147 760644.6829 8.2668 8.1196 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600000 -123.783 -368.68 10.7515 -368.681 73.1905 -7.63371 10.7517 -7.6332 -166.938 GPRESSURE: 2600000 -191.431 -313.274 26.5935 -371.252 161.021 -89.5788 -51.207 14.6096 -118.126 PRESSAVG: 2600000 39.9498 -34.5719 -0.639139 -34.5718 -31.9311 21.8479 -0.639143 21.8479 -11.7788 GPRESSAVG: 2600000 40.6448 -34.8165 0.586272 -35.075 -32.0561 23.7612 -1.07144 19.4857 -12.131 TIMING: 2600000 CPU: 8218.57, 0.0032483/step Wall: 8218.57, 0.0032483/step, 2.16553 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2600000 3973.5512 20305.2326 14532.0687 231.3239 -203245.7621 2495.6009 0.0000 0.0000 52285.5017 -109422.4830 300.4855 -161707.9848 -109060.3279 298.5454 -72.5100 -49.5123 760826.3845 -1.2534 -1.1808 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 PRESSURE: 2600200 146.828 148.37 21.7937 148.37 -170.723 -124.137 21.7951 -124.138 131.989 GPRESSURE: 2600200 78.2127 184.475 -41.617 52.9068 -56.9816 -119.841 27.2827 -24.7085 195.924 PRESSAVG: 2600200 4.52815 -58.8108 51.7675 -58.8108 -2.03488 19.1671 51.7675 19.1671 -7.09782 GPRESSAVG: 2600200 4.12834 -58.1684 51.7241 -59.1556 -1.90417 19.0871 53.5424 17.0466 -7.28681 TIMING: 2600200 CPU: 8219.2, 0.00314972/step Wall: 8219.2, 0.00314972/step, 2.09964 hours remaining, 238.613281 MB of memory in use. ENERGY: 2600200 3956.1112 20216.1941 14502.0597 244.5379 -203410.8695 2756.5311 0.0000 0.0000 52206.6400 -109528.7954 300.0323 -161735.4355 -109166.5875 298.8689 36.0313 72.3850 758920.1352 -1.5349 -1.6875 LDB: ============= START OF LOAD BALANCING ============== 8231.59 LDB: ============== END OF LOAD BALANCING =============== 8231.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8231.6 LDB: ============= START OF LOAD BALANCING ============== 8231.91 LDB: Largest compute 7031 load 0.034387 is 17.5% of average load 0.195961 LDB: Average compute 0.004374 is 2.2% of average load 0.195961 LDB: TIME 8231.91 LOAD: AVG 0.195961 MAX 0.215461 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 8231.92 LOAD: AVG 0.195961 MAX 0.215461 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: TIME 8231.92 LOAD: AVG 0.195961 MAX 0.215461 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: ============== END OF LOAD BALANCING =============== 8231.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8231.92 PRESSURE: 2600400 -404.144 -191.476 104.101 -191.477 144.289 -138.862 104.101 -138.862 46.8825 GPRESSURE: 2600400 -313.751 -190.796 50.1291 -180.312 108.69 -168.781 65.4824 -37.9175 93.0253 PRESSAVG: 2600400 -13.7566 -57.075 21.7894 -57.075 20.0799 -18.3672 21.7893 -18.3671 -19.4356 GPRESSAVG: 2600400 -13.6153 -56.6353 22.6218 -56.8433 20.2577 -18.4705 21.6584 -15.6711 -19.9862 TIMING: 2600400 CPU: 8219.84, 0.00321486/step Wall: 8219.84, 0.00321486/step, 2.14288 hours remaining, 239.808594 MB of memory in use. ENERGY: 2600400 3866.4218 20312.1636 14412.5456 234.5459 -203048.0458 2661.0772 0.0000 0.0000 52117.9406 -109443.3510 299.5225 -161561.2916 -109082.8404 298.3157 -70.9908 -37.3453 761488.9015 -4.3708 -4.4479 PRESSURE: 2600600 210.808 31.0809 86.9925 31.0811 -114.213 -80.1273 86.9928 -80.127 286.064 GPRESSURE: 2600600 333.299 -65.9006 109.668 58.099 -75.4888 -140.812 134.479 -5.21119 211.387 PRESSAVG: 2600600 21.5018 -25.8977 3.41343 -25.8978 14.8164 21.2663 3.41336 21.2662 4.90031 GPRESSAVG: 2600600 21.6476 -27.6731 2.64522 -24.3206 13.9477 20.4853 2.71426 20.3131 5.48269 TIMING: 2600600 CPU: 8220.47, 0.00315861/step Wall: 8220.47, 0.00315861/step, 2.10522 hours remaining, 240.011719 MB of memory in use. ENERGY: 2600600 3969.1485 20442.7352 14451.7595 260.0955 -202957.5868 2393.4949 0.0000 0.0000 51750.5303 -109689.8230 297.4110 -161440.3533 -109331.1496 298.8511 127.5531 156.3989 759237.1776 13.7395 13.6927 PRESSURE: 2600800 40.512 -128.09 259.152 -128.09 -344.29 -63.8682 259.152 -63.8687 -431.201 GPRESSURE: 2600800 16.8089 -134.028 302.769 -47.013 -198.495 42.0162 219.398 -16.0889 -473.551 PRESSAVG: 2600800 14.6783 19.2905 -11.245 19.2905 -52.8332 -22.6511 -11.2451 -22.6512 7.47415 GPRESSAVG: 2600800 14.3297 22.0879 -10.3138 17.5889 -52.9152 -20.6519 -9.30269 -21.6067 8.58779 TIMING: 2600800 CPU: 8221.1, 0.00315583/step Wall: 8221.1, 0.00315583/step, 2.10318 hours remaining, 240.011719 MB of memory in use. ENERGY: 2600800 3985.4557 20482.3197 14458.7174 260.2408 -202588.0880 1787.5150 0.0000 0.0000 51955.2200 -109658.6194 298.5874 -161613.8394 -109297.0589 298.2347 -244.9928 -218.4124 761665.1770 -10.2269 -9.9992 PRESSURE: 2601000 -307.172 14.1056 0.305759 14.1066 -282.36 55.6268 0.304888 55.6268 -425.21 GPRESSURE: 2601000 -293.655 -37.5357 30.3258 -9.02079 -247.869 -17.2837 -78.7928 94.5917 -383.534 PRESSAVG: 2601000 40.0843 -10.4405 45.2448 -10.4405 31.2163 -29.968 45.2448 -29.9679 7.61022 GPRESSAVG: 2601000 39.7694 -13.2642 44.7621 -10.2187 32.845 -29.3931 44.6832 -32.1399 5.98654 TIMING: 2601000 CPU: 8221.73, 0.00313861/step Wall: 8221.73, 0.00313861/step, 2.09153 hours remaining, 240.011719 MB of memory in use. ENERGY: 2601000 3968.8384 20467.5660 14423.9494 224.4820 -203118.6542 2262.6709 0.0000 0.0000 51776.2118 -109994.9358 297.5586 -161771.1476 -109642.8057 298.2864 -338.2471 -308.3526 761533.3054 26.3036 26.2003 PRESSURE: 2601200 16.9183 216.974 51.8768 216.974 112.754 -109.748 51.876 -109.749 -21.9298 GPRESSURE: 2601200 21.8986 141.212 20.7742 135.056 135.442 -201.382 -24.0297 -44.1474 26.753 PRESSAVG: 2601200 28.8328 -38.9088 14.3412 -38.9089 -23.1712 2.2337 14.3412 2.23374 7.32012 GPRESSAVG: 2601200 29.261 -38.1129 13.1773 -37.7589 -24.2294 -0.0673187 13.7221 3.83581 8.12997 TIMING: 2601200 CPU: 8222.36, 0.00317272/step Wall: 8222.36, 0.00317272/step, 2.11409 hours remaining, 240.011719 MB of memory in use. ENERGY: 2601200 4063.5309 20377.7092 14470.0630 244.4615 -203187.7041 2390.2716 0.0000 0.0000 51813.2439 -109828.4241 297.7714 -161641.6680 -109477.8358 297.7026 35.9141 61.3646 758722.4086 4.3273 4.3872 PRESSURE: 2601400 -644.641 -21.1937 81.1895 -21.1938 -123.448 -128.329 81.1893 -128.331 171.099 GPRESSURE: 2601400 -539.174 -20.9929 192.67 -36.2067 -77.992 -68.2182 132.539 -163.414 111.105 PRESSAVG: 2601400 -13.0919 -25.1218 -73.9896 -25.1218 33.7955 -26.1802 -73.9896 -26.1802 13.6561 GPRESSAVG: 2601400 -12.0516 -25.9048 -72.6884 -26.2012 33.8347 -24.1873 -72.7357 -26.2918 13.3597 TIMING: 2601400 CPU: 8223, 0.00317208/step Wall: 8223, 0.00317208/step, 2.11348 hours remaining, 240.011719 MB of memory in use. ENERGY: 2601400 3903.0083 20316.2693 14405.2885 233.9997 -202649.9504 2059.7301 0.0000 0.0000 52050.1408 -109681.5138 299.1329 -161731.6545 -109317.1472 298.6615 -198.9964 -168.6868 761444.6426 11.4532 11.7143 PRESSURE: 2601600 400.869 83.8297 -55.025 83.8298 270.995 11.6906 -55.0246 11.6902 226.102 GPRESSURE: 2601600 456.806 37.4006 -48.3578 32.4659 276.419 34.3222 -161.53 110.463 258.36 PRESSAVG: 2601600 50.1518 1.03453 46.9701 1.0346 -33.2273 21.0147 46.9702 21.0146 -4.7609 GPRESSAVG: 2601600 48.4917 2.07942 45.9661 0.885317 -32.4159 21 45.0327 20.3613 -3.8583 TIMING: 2601600 CPU: 8223.63, 0.00315661/step Wall: 8223.63, 0.00315661/step, 2.103 hours remaining, 240.011719 MB of memory in use. ENERGY: 2601600 3999.7082 20418.5223 14381.2817 259.1717 -203282.8390 2638.6747 0.0000 0.0000 52065.6025 -109519.8779 299.2217 -161585.4804 -109157.6290 298.5595 299.3222 330.5282 760028.7961 4.0545 4.0725 PRESSURE: 2601800 32.01 -83.5257 165.558 -83.5265 412.102 -203.408 165.559 -203.408 426.696 GPRESSURE: 2601800 124.083 -103.44 91.1805 -87.3035 323.773 -195.408 191.9 -84.1531 479.527 PRESSAVG: 2601800 -15.8089 -23.189 7.86412 -23.189 5.17384 4.64697 7.86413 4.64705 -0.250951 GPRESSAVG: 2601800 -15.4147 -22.6948 9.0418 -23.6965 4.09197 3.97914 9.84754 7.104 0.315767 TIMING: 2601800 CPU: 8224.26, 0.00315184/step Wall: 8224.26, 0.00315184/step, 2.09965 hours remaining, 240.011719 MB of memory in use. ENERGY: 2601800 3884.5398 20463.3529 14444.5454 243.7348 -203265.9962 2670.6910 0.0000 0.0000 52039.9314 -109519.2010 299.0742 -161559.1324 -109149.3605 299.2952 290.2692 309.1275 761385.8233 -3.6287 -3.6690 PRESSURE: 2602000 -273.616 29.3088 -96.1562 29.3078 9.38642 80.237 -96.1569 80.2371 288.731 GPRESSURE: 2602000 -149.634 55.5064 -61.1042 104.705 -19.9324 81.4495 -178.824 90.8488 305.489 PRESSAVG: 2602000 17.8135 21.4319 19.0293 21.4319 -20.2468 49.2926 19.0293 49.2926 20.3656 GPRESSAVG: 2602000 18.5927 22.1561 17.7905 23.1701 -19.6403 48.8633 18.1748 46.1592 18.769 TIMING: 2602000 CPU: 8224.9, 0.00317425/step Wall: 8224.9, 0.00317425/step, 2.1144 hours remaining, 240.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2602000 3939.1185 20436.8427 14476.3149 253.4227 -203032.2759 2406.3035 0.0000 0.0000 51914.0100 -109606.2637 298.3505 -161520.2736 -109235.7976 299.0203 8.1670 45.3073 761238.6150 5.9775 5.9071 PRESSURE: 2602200 325.033 -7.00078 -23.4891 -7.00138 -71.6716 55.8121 -23.4886 55.8129 206.716 GPRESSURE: 2602200 343.645 -98.0784 -86.9274 -53.9228 35.5919 108.984 -35.0845 50.0227 163.199 PRESSAVG: 2602200 16.1468 6.71393 0.40019 6.71387 -16.0991 27.0235 0.400203 27.0234 -10.5557 GPRESSAVG: 2602200 15.5034 6.38555 0.936122 5.82386 -15.884 27.4498 -0.821827 27.7776 -10.0065 TIMING: 2602200 CPU: 8225.52, 0.00314513/step Wall: 8225.52, 0.00314512/step, 2.09483 hours remaining, 240.011719 MB of memory in use. ENERGY: 2602200 3974.6772 20362.8583 14446.5955 243.0827 -203563.8801 2663.4705 0.0000 0.0000 52343.9959 -109529.2001 300.8217 -161873.1960 -109164.7235 298.8214 153.3589 180.8121 759670.9526 -3.5027 -3.4624 PRESSURE: 2602400 -49.4973 -65.5001 -70.1402 -65.4999 -73.3425 22.8435 -70.1404 22.8439 -281.812 GPRESSURE: 2602400 -72.4789 -166.947 -105.632 5.33996 46.0483 32.4443 -61.7098 108.099 -291.455 PRESSAVG: 2602400 25.4393 -65.2639 10.8029 -65.2638 -49.8696 46.6237 10.8028 46.6237 6.57719 GPRESSAVG: 2602400 25.7268 -67.3465 12.4142 -64.8689 -50.6508 48.1379 11.0298 47.2855 7.39856 TIMING: 2602400 CPU: 8226.16, 0.0031777/step Wall: 8226.16, 0.00317771/step, 2.11635 hours remaining, 240.011719 MB of memory in use. ENERGY: 2602400 3963.6915 20541.8108 14505.0419 244.0752 -203063.7521 2246.1338 0.0000 0.0000 52010.9321 -109552.0668 298.9075 -161562.9989 -109195.7728 299.1226 -134.8840 -105.9620 759214.8236 -5.9510 -5.8418 PRESSURE: 2602600 194.101 56.4475 -39.3049 56.4474 131.406 293.851 -39.3052 293.851 -183.719 GPRESSURE: 2602600 154.546 109.841 51.4957 -19.7315 141.767 266.57 28.5523 155.928 -80.5263 PRESSAVG: 2602600 -13.338 -34.6878 -0.0789838 -34.6878 26.8641 47.754 -0.0789721 47.754 -15.5511 GPRESSAVG: 2602600 -14.2469 -33.391 0.0178285 -36.0071 27.5214 46.7995 -2.30928 47.1222 -15.0851 TIMING: 2602600 CPU: 8226.79, 0.00315617/step Wall: 8226.79, 0.00315617/step, 2.10183 hours remaining, 240.011719 MB of memory in use. ENERGY: 2602600 3905.5910 20706.6543 14478.3557 245.7943 -203122.7509 2136.6976 0.0000 0.0000 51857.8486 -109791.8094 298.0278 -161649.6579 -109433.6785 299.1028 47.2629 71.9291 759401.7671 -0.6750 -0.6036 PRESSURE: 2602800 128.903 -51.5145 98.2126 -51.5149 -149.441 -59.3271 98.2133 -59.3269 295.795 GPRESSURE: 2602800 171.406 -16.7467 124.821 15.43 -29.4224 -102.984 -1.9645 68.0868 219.838 PRESSAVG: 2602800 18.8787 7.17399 44.0241 7.17395 -6.15884 -0.906135 44.0242 -0.906047 12.5963 GPRESSAVG: 2602800 20.0427 6.05929 42.9784 8.06594 -5.44077 -1.54886 45.9609 -0.569891 10.8564 TIMING: 2602800 CPU: 8227.42, 0.0031659/step Wall: 8227.42, 0.0031659/step, 2.10813 hours remaining, 240.011719 MB of memory in use. ENERGY: 2602800 3917.0283 20362.7654 14464.5778 256.9206 -203549.7778 2819.9273 0.0000 0.0000 52047.6703 -109680.8882 299.1187 -161728.5584 -109315.4865 298.7986 91.7520 120.6071 759695.9913 8.4387 8.4861 PRESSURE: 2603000 115.969 -197.132 -253.478 -197.133 2.36035 -120.97 -253.479 -120.97 531.687 GPRESSURE: 2603000 152.491 -218.254 -257.71 -107.417 41.5415 -28.2057 -214.364 -176.706 548.203 PRESSAVG: 2603000 -25.9025 -37.7535 -13.4706 -37.7535 -8.62681 -10.7426 -13.4706 -10.7425 21.563 GPRESSAVG: 2603000 -24.8192 -39.0828 -13.4885 -37.0378 -10.5275 -10.1304 -12.7201 -9.13611 22.0766 TIMING: 2603000 CPU: 8228.06, 0.00315982/step Wall: 8228.06, 0.00315982/step, 2.10391 hours remaining, 240.011719 MB of memory in use. ENERGY: 2603000 3885.8705 20280.5868 14454.6756 236.8493 -203582.2563 2666.0650 0.0000 0.0000 52291.5943 -109766.6147 300.5205 -162058.2091 -109403.3164 298.8682 216.6720 247.4119 758518.9342 -4.3221 -4.4234 PRESSURE: 2603200 -160.2 -282.12 -28.1886 -282.12 -68.4703 -5.32862 -28.1877 -5.32919 90.9912 GPRESSURE: 2603200 -136.317 -245.425 -28.9853 -317.566 -75.0829 5.41492 13.9763 -45.5721 169.936 PRESSAVG: 2603200 -32.3339 -2.34655 12.5263 -2.34651 14.1046 -39.8156 12.5263 -39.8156 12.4457 GPRESSAVG: 2603200 -34.045 -2.06593 12.5169 -1.93592 15.2084 -38.2971 12.6059 -42.6837 12.6797 TIMING: 2603200 CPU: 8228.69, 0.00314308/step Wall: 8228.69, 0.00314308/step, 2.09259 hours remaining, 240.011719 MB of memory in use. ENERGY: 2603200 3969.6463 20455.2691 14552.7143 259.5339 -203662.5906 2576.5582 0.0000 0.0000 52112.6343 -109736.2344 299.4920 -161848.8687 -109370.4284 298.8576 -45.8932 -13.8212 758806.4573 -1.9279 -2.0523 PRESSURE: 2603400 157.781 -61.3643 107.291 -61.3636 50.0769 179.368 107.291 179.368 164.654 GPRESSURE: 2603400 105.071 -95.8736 146.238 -15.8003 149.125 141.861 175.95 181.787 216.808 PRESSAVG: 2603400 42.2728 1.93531 -50.5441 1.93536 -2.06117 14.161 -50.5441 14.161 0.382537 GPRESSAVG: 2603400 43.0265 2.66289 -49.375 1.96783 -2.2386 13.4327 -50.3954 15.5027 -0.389509 TIMING: 2603400 CPU: 8229.31, 0.0031441/step Wall: 8229.31, 0.0031441/step, 2.09309 hours remaining, 240.011719 MB of memory in use. ENERGY: 2603400 4016.0786 20485.8911 14431.0631 257.2837 -203776.4466 2818.3305 0.0000 0.0000 52119.3904 -109648.4093 299.5309 -161767.7997 -109289.5677 298.7994 124.1708 157.0010 758844.5662 13.5314 13.4661 PRESSURE: 2603600 29.1626 -115.024 21.2024 -115.024 131.86 -5.68301 21.2009 -5.68422 -79.3602 GPRESSURE: 2603600 85.4487 -215.362 28.9183 -100.903 123.191 66.3094 -23.6204 10.0908 -46.9782 PRESSAVG: 2603600 28.9694 -2.13925 -45.5742 -2.1392 -11.0352 61.9184 -45.5742 61.9184 8.28848 GPRESSAVG: 2603600 27.997 -2.90035 -47.8871 -2.21959 -10.2985 60.9287 -43.6651 63.1965 8.70408 TIMING: 2603600 CPU: 8229.94, 0.00315005/step Wall: 8229.94, 0.00315006/step, 2.09689 hours remaining, 240.011719 MB of memory in use. ENERGY: 2603600 3875.3523 20391.3167 14534.8807 254.9586 -203336.9701 2408.4911 0.0000 0.0000 52361.4274 -109510.5434 300.9218 -161871.9707 -109145.7431 299.1544 27.2207 53.8872 761245.3842 8.7409 8.8008 PRESSURE: 2603800 136.414 -70.3127 97.2241 -70.3127 74.4194 -0.819168 97.224 -0.81884 326.659 GPRESSURE: 2603800 127.925 -144.115 38.2903 38.0112 107.768 82.5536 42.5099 -9.03961 376.003 PRESSAVG: 2603800 60.7507 -11.5423 44.4828 -11.5423 -25.085 -8.67653 44.4828 -8.67655 -5.79503 GPRESSAVG: 2603800 60.9129 -11.4507 46.5867 -11.8528 -24.4675 -7.77198 43.2055 -8.51491 -6.7728 TIMING: 2603800 CPU: 8230.57, 0.00314957/step Wall: 8230.57, 0.00314957/step, 2.09639 hours remaining, 240.011719 MB of memory in use. ENERGY: 2603800 3942.6366 20451.2344 14520.0523 240.7592 -203459.1168 2462.4619 0.0000 0.0000 52113.4792 -109728.4933 299.4969 -161841.9725 -109362.3033 298.9470 179.1639 203.8986 760931.2991 9.9569 9.8909 PRESSURE: 2604000 105.157 401.226 -83.6089 401.226 -479.099 20.57 -83.6089 20.5708 41.0415 GPRESSURE: 2604000 117.95 337.519 -51.478 275.854 -477.65 -6.47764 -278.638 36.0925 112.372 PRESSAVG: 2604000 35.6474 18.8559 -7.37776 18.8558 -19.1715 3.43198 -7.37779 3.43191 19.9562 GPRESSAVG: 2604000 36.5236 19.9565 -6.69942 17.472 -20.545 2.49866 -9.43911 3.27881 21.1729 TIMING: 2604000 CPU: 8231.2, 0.00313098/step Wall: 8231.2, 0.00313098/step, 2.08384 hours remaining, 240.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2604000 4120.6343 20709.6824 14443.3731 255.4195 -203712.8447 2575.9808 0.0000 0.0000 52109.0665 -109498.6881 299.4715 -161607.7546 -109154.2047 299.7034 -110.9669 -82.4427 761808.1449 12.1440 12.3838 PRESSURE: 2604200 254.785 154.318 -262.538 154.318 -350.342 -86.5271 -262.538 -86.5251 -708.667 GPRESSURE: 2604200 149.588 62.6112 -313.179 169.234 -229.463 -74.9036 -285.472 -178.762 -624.635 PRESSAVG: 2604200 40.6513 -23.2234 -37.8673 -23.2234 -58.846 -0.961451 -37.8674 -0.961495 -16.3574 GPRESSAVG: 2604200 41.7466 -23.0343 -39.7572 -23.0915 -57.981 -1.7532 -36.5375 -1.16824 -18.315 TIMING: 2604200 CPU: 8231.83, 0.00314468/step Wall: 8231.83, 0.00314467/step, 2.09278 hours remaining, 240.011719 MB of memory in use. ENERGY: 2604200 4062.2544 20639.2980 14467.6478 247.8004 -203897.6480 2899.8069 0.0000 0.0000 51884.8755 -109695.9651 298.1831 -161580.8406 -109336.9116 299.0690 -268.0748 -234.8367 760543.7137 -11.5173 -11.5165 LDB: ============= START OF LOAD BALANCING ============== 8244.23 LDB: ============== END OF LOAD BALANCING =============== 8244.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8244.23 LDB: ============= START OF LOAD BALANCING ============== 8244.54 LDB: Largest compute 7045 load 0.034941 is 17.8% of average load 0.195938 LDB: Average compute 0.004380 is 2.2% of average load 0.195938 LDB: TIME 8244.55 LOAD: AVG 0.195938 MAX 0.215395 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.379 MB LDB: TIME 8244.55 LOAD: AVG 0.195938 MAX 0.215395 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: TIME 8244.55 LOAD: AVG 0.195938 MAX 0.215395 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: ============== END OF LOAD BALANCING =============== 8244.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8244.55 PRESSURE: 2604400 -355.952 -126.112 157.529 -126.112 -154.496 -87.6362 157.53 -87.6362 -20.7045 GPRESSURE: 2604400 -251.384 -80.1469 143.889 -156.892 -162.71 -65.252 236.376 17.884 -25.9831 PRESSAVG: 2604400 22.3231 8.39338 41.2016 8.39329 -17.6262 18.5458 41.2016 18.5458 -21.1436 GPRESSAVG: 2604400 20.8846 7.8207 42.0533 10.0722 -17.3103 20.0104 41.0268 18.3501 -20.1638 TIMING: 2604400 CPU: 8232.47, 0.00320446/step Wall: 8232.47, 0.00320446/step, 2.13239 hours remaining, 238.839844 MB of memory in use. ENERGY: 2604400 4033.1609 20634.0982 14523.6650 263.9391 -203239.0409 2336.0629 0.0000 0.0000 52018.3764 -109429.7385 298.9503 -161448.1149 -109066.5589 298.9134 -177.0508 -146.6924 761436.1115 -5.4822 -5.5298 PRESSURE: 2604600 432.278 57.136 57.7334 57.1363 202.096 -99.7651 57.7333 -99.7664 443.947 GPRESSURE: 2604600 428.313 36.2571 -89.1007 -22.0608 256.394 -71.0883 104.527 -154.662 500.195 PRESSAVG: 2604600 -4.81603 -36.7029 28.9481 -36.7029 -2.21369 6.07838 28.9482 6.07834 -12.306 GPRESSAVG: 2604600 -4.66448 -36.1839 27.9999 -37.3152 -2.13408 5.709 30.0596 6.12741 -12.575 TIMING: 2604600 CPU: 8233.1, 0.00315049/step Wall: 8233.1, 0.00315049/step, 2.0963 hours remaining, 239.042969 MB of memory in use. ENERGY: 2604600 3932.6599 20490.3326 14503.5376 251.4392 -203713.2488 2984.4528 0.0000 0.0000 51911.2136 -109639.6131 298.3345 -161550.8267 -109276.4848 299.3179 359.4403 394.9678 760767.8897 -6.4452 -6.4578 PRESSURE: 2604800 -158.138 -51.9219 -108.208 -51.9211 59.7249 13.3117 -108.207 13.3111 -81.5757 GPRESSURE: 2604800 -150.055 -117.282 -26.8949 -102.409 178.409 44.3143 -96.433 18.0947 -129.049 PRESSAVG: 2604800 21.6184 -17.1861 73.9646 -17.186 -55.6073 14.5893 73.9646 14.5891 -6.2584 GPRESSAVG: 2604800 22.4891 -17.63 74.1429 -18.4833 -55.6006 15.8793 73.8425 13.1093 -6.33917 TIMING: 2604800 CPU: 8233.73, 0.00316138/step Wall: 8233.73, 0.00316138/step, 2.10337 hours remaining, 239.042969 MB of memory in use. ENERGY: 2604800 3977.3462 20528.1171 14432.0180 245.4958 -203870.4670 2804.9247 0.0000 0.0000 52147.3782 -109735.1871 299.6917 -161882.5652 -109369.7117 298.6557 -59.9963 -33.5651 762137.6032 -13.4158 -13.1502 PRESSURE: 2605000 530.463 -154.016 268.364 -154.017 440.928 -154.637 268.364 -154.638 352.848 GPRESSURE: 2605000 588.819 -149.873 206.484 -58.2744 495.093 -238.514 367.063 -121.987 328.38 PRESSAVG: 2605000 -33.8442 -54.2006 57.474 -54.2006 24.1586 -14.1673 57.474 -14.1672 -6.0257 GPRESSAVG: 2605000 -34.0341 -56.0483 59.4029 -52.0269 24.0481 -14.9491 56.6326 -14.1984 -5.54419 TIMING: 2605000 CPU: 8234.37, 0.00316823/step Wall: 8234.37, 0.00316823/step, 2.10775 hours remaining, 239.042969 MB of memory in use. ENERGY: 2605000 3969.6095 20516.7491 14546.4642 256.8371 -203686.0691 2973.8265 0.0000 0.0000 51844.7124 -109577.8704 297.9523 -161422.5828 -109208.5043 298.9508 441.4129 470.7640 760342.6532 -5.2371 -5.1767 PRESSURE: 2605200 -180.704 -255.004 64.6413 -255.004 -78.514 -87.2016 64.6413 -87.2018 -280.789 GPRESSURE: 2605200 -99.6819 -202.388 124.848 -259.95 -101.052 -84.8683 22.8654 -100.246 -254.211 PRESSAVG: 2605200 -40.3901 -84.1735 26.7292 -84.1735 16.5195 -0.270189 26.7293 -0.270091 -12.1571 GPRESSAVG: 2605200 -40.2093 -82.4263 27.628 -85.4504 17.0765 -0.932203 26.219 0.823586 -12.8956 TIMING: 2605200 CPU: 8235, 0.00315307/step Wall: 8235, 0.00315307/step, 2.09749 hours remaining, 239.042969 MB of memory in use. ENERGY: 2605200 3975.2602 20565.9517 14503.5238 253.7864 -203197.4239 2408.3150 0.0000 0.0000 52123.9538 -109366.6330 299.5571 -161490.5868 -109011.0385 299.6038 -180.0024 -151.6484 761050.6155 -12.0092 -12.0094 PRESSURE: 2605400 28.2282 -91.8034 89.0657 -91.8026 26.0448 56.2767 89.0651 56.2763 -49.4909 GPRESSURE: 2605400 175.558 -6.24082 186.639 -223.637 -57.4006 20.2228 54.4451 37.122 -18.5708 PRESSAVG: 2605400 -7.56058 -65.7162 -69.2964 -65.7161 -29.1237 -23.9518 -69.2965 -23.9518 -4.14095 GPRESSAVG: 2605400 -6.21054 -65.7746 -70.989 -66.7747 -30.9825 -22.8072 -68.386 -25.8516 -3.69081 TIMING: 2605400 CPU: 8235.63, 0.00314299/step Wall: 8235.63, 0.00314299/step, 2.09061 hours remaining, 239.042969 MB of memory in use. ENERGY: 2605400 4006.3892 20488.0860 14444.1059 231.9155 -203213.1657 2605.7627 0.0000 0.0000 52116.5319 -109320.3745 299.5144 -161436.9064 -108966.4325 299.3076 1.5940 33.1957 760262.8249 -13.6084 -13.6279 PRESSURE: 2605600 212.042 -321.527 38.6656 -321.527 204.403 -50.1181 38.6657 -50.1184 174.696 GPRESSURE: 2605600 215.994 -265.758 30.7556 -228.831 350.648 18.1448 28.4899 -94.2901 125.981 PRESSAVG: 2605600 10.105 -4.73019 46.9846 -4.73022 17.1808 -9.62657 46.9846 -9.62653 6.95831 GPRESSAVG: 2605600 8.90888 -2.60281 46.0306 -4.56044 18.4368 -9.61575 47.301 -8.56263 6.78334 TIMING: 2605600 CPU: 8236.26, 0.00315249/step Wall: 8236.26, 0.00315249/step, 2.09676 hours remaining, 239.042969 MB of memory in use. ENERGY: 2605600 4058.0793 20556.7104 14462.7990 250.6290 -203630.3962 2828.6545 0.0000 0.0000 52390.6589 -109082.8653 301.0898 -161473.5242 -108714.2661 300.0588 197.0466 230.8744 759826.0378 11.4147 11.3763 PRESSURE: 2605800 201.689 8.02796 34.5777 8.02838 -185.162 -126.53 34.5766 -126.53 180.948 GPRESSURE: 2605800 240.087 9.65489 -19.5541 -73.2088 -92.6529 -126.37 129.916 -276.542 123.427 PRESSAVG: 2605800 30.3106 0.561796 -52.6931 0.561782 -20.2715 -21.5394 -52.6931 -21.5395 26.9565 GPRESSAVG: 2605800 30.057 -1.92693 -52.5365 2.34265 -21.2847 -22.2744 -53.3186 -23.2887 27.3534 TIMING: 2605800 CPU: 8236.89, 0.00314902/step Wall: 8236.89, 0.00314902/step, 2.09427 hours remaining, 239.042969 MB of memory in use. ENERGY: 2605800 3954.3570 20653.5183 14474.6901 249.5906 -203224.8388 2587.1967 0.0000 0.0000 52140.3093 -109165.1768 299.6511 -161305.4861 -108807.1450 300.1851 65.8252 90.2869 760814.1918 12.3319 12.0419 PRESSURE: 2606000 23.7103 54.3471 168.181 54.3468 -263.87 -188.101 168.181 -188.101 -123.668 GPRESSURE: 2606000 118.811 124.137 159.198 -23.69 -189.596 -206.461 205.711 -35.1851 -176.687 PRESSAVG: 2606000 2.65445 -27.3295 24.8139 -27.3294 -45.482 -24.1742 24.8138 -24.1742 -10.8584 GPRESSAVG: 2606000 2.56129 -25.9097 25.7277 -28.5416 -45.0201 -24.6823 28.078 -23.6465 -11.1788 TIMING: 2606000 CPU: 8237.51, 0.00313739/step Wall: 8237.51, 0.00313739/step, 2.08636 hours remaining, 239.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2606000 3995.8760 20549.1229 14509.1488 258.3870 -203315.2228 2577.9824 0.0000 0.0000 52049.6896 -109375.0161 299.1303 -161424.7057 -109019.5547 299.3885 -121.2761 -82.4907 760719.4937 -17.8953 -17.8792 PRESSURE: 2606200 -176.693 105.371 32.9394 105.372 -293.171 -315.787 32.939 -315.786 -129.443 GPRESSURE: 2606200 -35.9344 56.9509 -46.9238 100.047 -339.951 -288.703 -35.5888 -168.414 -127.507 PRESSAVG: 2606200 39.6819 -29.1121 -42.4933 -29.112 -48.7563 -20.9185 -42.4933 -20.9184 9.8608 GPRESSAVG: 2606200 40.5237 -30.9274 -43.7729 -29.3749 -50.0375 -20.9801 -46.4742 -19.3463 9.76865 TIMING: 2606200 CPU: 8238.15, 0.00316744/step Wall: 8238.15, 0.00316744/step, 2.10617 hours remaining, 239.042969 MB of memory in use. ENERGY: 2606200 4039.8008 20617.8426 14451.3281 258.4096 -203593.7075 2677.7273 0.0000 0.0000 52055.3227 -109493.2765 299.1627 -161548.5992 -109139.3972 299.4545 -199.7688 -167.7977 761312.7135 0.2621 0.0849 PRESSURE: 2606400 233.151 62.2306 -167.982 62.2311 -79.2969 -179.243 -167.981 -179.244 -438.24 GPRESSURE: 2606400 308.198 84.3795 -173.231 143.878 -148.159 -191.9 -76.4055 -101.013 -357.398 PRESSAVG: 2606400 59.6453 8.79381 -17.0244 8.79377 -57.3298 -13.6038 -17.0243 -13.6038 -9.08161 GPRESSAVG: 2606400 61.1183 11.1683 -15.388 8.59735 -58.1679 -13.1365 -14.3657 -14.9111 -10.4405 TIMING: 2606400 CPU: 8238.78, 0.00318468/step Wall: 8238.78, 0.00318468/step, 2.11746 hours remaining, 239.042969 MB of memory in use. ENERGY: 2606400 3945.8666 20475.6388 14520.7251 240.7519 -203368.1871 2570.7833 0.0000 0.0000 51977.3049 -109637.1163 298.7143 -161614.4212 -109284.2307 298.6109 -94.7954 -65.7861 760660.7361 -2.2554 -2.4967 PRESSURE: 2606600 188.183 74.091 53.2379 74.0903 35.8295 -51.4857 53.2377 -51.4868 -256.715 GPRESSURE: 2606600 206.913 73.8404 172.378 107.394 86.4545 -51.1194 24.7687 -134.869 -212.361 PRESSAVG: 2606600 38.7674 1.58308 -7.36343 1.58308 -35.8213 -4.33083 -7.3635 -4.33083 26.1981 GPRESSAVG: 2606600 36.3909 2.192 -6.72983 2.09833 -34.5711 -3.20721 -7.67945 -3.05744 28.1173 TIMING: 2606600 CPU: 8239.42, 0.0031619/step Wall: 8239.42, 0.0031619/step, 2.10214 hours remaining, 239.042969 MB of memory in use. ENERGY: 2606600 3985.0630 20429.8275 14513.0410 234.3413 -203624.1641 2749.5987 0.0000 0.0000 51769.8166 -109942.4761 297.5218 -161712.2926 -109583.4775 298.3856 -10.9009 27.0024 760505.1639 9.7148 9.9790 PRESSURE: 2606800 255.367 -117.869 21.2629 -117.87 -67.4891 -15.4607 21.2635 -15.4606 101.59 GPRESSURE: 2606800 176.886 -189.842 8.34277 -179.782 20.106 -66.409 69.515 48.239 186.346 PRESSAVG: 2606800 86.0208 -6.53884 -27.898 -6.53887 -46.6834 8.05413 -27.8979 8.0542 26.5101 GPRESSAVG: 2606800 86.1792 -7.83311 -28.8419 -6.81626 -45.6972 6.1321 -29.9536 6.16794 25.4792 TIMING: 2606800 CPU: 8240.04, 0.0031385/step Wall: 8240.04, 0.0031385/step, 2.0864 hours remaining, 239.042969 MB of memory in use. ENERGY: 2606800 3934.2710 20409.9017 14487.8812 244.6999 -203976.5520 3082.4118 0.0000 0.0000 51807.3200 -110010.0665 297.7374 -161817.3865 -109636.8004 298.3802 96.4894 127.7793 761101.9697 21.9491 21.9871 PRESSURE: 2607000 -70.9438 -34.4054 -170.585 -34.4056 122.257 1.34623 -170.584 1.34535 -156.214 GPRESSURE: 2607000 -157.392 -69.0674 -55.6499 56.9644 138.076 -114.631 -100.39 66.3117 -25.249 PRESSAVG: 2607000 5.0864 13.1889 -23.2294 13.1889 -30.8919 19.2785 -23.2294 19.2786 -15.476 GPRESSAVG: 2607000 4.16086 13.1623 -22.7717 12.2636 -31.8338 18.4251 -19.5648 21.1935 -14.1664 TIMING: 2607000 CPU: 8240.67, 0.00315678/step Wall: 8240.67, 0.00315678/step, 2.09838 hours remaining, 239.042969 MB of memory in use. ENERGY: 2607000 4010.5268 20773.9867 14408.9846 258.0700 -203678.6848 2688.9591 0.0000 0.0000 51693.5731 -109844.5845 297.0837 -161538.1576 -109495.6962 298.1517 -34.9671 -14.8548 760122.4360 -13.7605 -13.9465 PRESSURE: 2607200 28.3815 -124.753 -106.097 -124.754 266.116 -33.0553 -106.096 -33.0552 -24.8876 GPRESSURE: 2607200 102.327 -56.7967 -121.057 -19.9796 255.202 89.8151 -168.411 10.6735 5.87896 PRESSAVG: 2607200 30.3092 -19.5123 -5.52997 -19.5123 15.497 32.2022 -5.52998 32.2022 4.65091 GPRESSAVG: 2607200 30.6514 -18.0081 -5.8327 -17.9468 15.9657 32.6451 -7.10336 32.6687 3.49883 TIMING: 2607200 CPU: 8241.3, 0.00314617/step Wall: 8241.3, 0.00314617/step, 2.09116 hours remaining, 239.042969 MB of memory in use. ENERGY: 2607200 3928.8955 20636.0069 14410.9962 236.0502 -203949.7987 2918.6949 0.0000 0.0000 52039.1436 -109780.0114 299.0697 -161819.1550 -109424.4413 298.7749 89.8699 121.1358 760356.0965 16.8190 16.7053 PRESSURE: 2607400 -38.6623 7.84656 33.5535 7.84574 223.056 182.789 33.5534 182.789 183.789 GPRESSURE: 2607400 8.45177 47.1311 -21.8747 109.764 192.007 168.189 -92.5481 34.5752 252.712 PRESSAVG: 2607400 1.86157 -17.9747 0.378089 -17.9748 -24.9382 18.122 0.378127 18.122 -1.15876 GPRESSAVG: 2607400 0.869181 -21.2014 -0.522616 -15.7297 -24.4257 17.7435 -0.539811 16.1957 -0.238913 TIMING: 2607400 CPU: 8241.93, 0.00314826/step Wall: 8241.93, 0.00314826/step, 2.09237 hours remaining, 239.042969 MB of memory in use. ENERGY: 2607400 3940.4823 20525.6181 14543.1526 241.5826 -203532.2328 2563.9866 0.0000 0.0000 52087.8923 -109629.5183 299.3498 -161717.4107 -109252.9542 299.1811 122.7275 151.0567 761395.0549 -8.0785 -7.9318 PRESSURE: 2607600 12.8254 -73.9159 -159.797 -73.9161 -329.97 -19.029 -159.797 -19.0299 -151.536 GPRESSURE: 2607600 67.9024 -68.8382 -48.5534 61.7174 -227.138 31.9298 -222.519 -145.699 -218.449 PRESSAVG: 2607600 30.4541 -41.8146 -47.0145 -41.8147 -14.0082 58.9093 -47.0145 58.9094 0.730426 GPRESSAVG: 2607600 30.7248 -39.9809 -46.6237 -44.1085 -14.2884 59.9369 -47.0188 60.62 -0.122364 TIMING: 2607600 CPU: 8242.56, 0.00314081/step Wall: 8242.56, 0.00314081/step, 2.08724 hours remaining, 239.042969 MB of memory in use. ENERGY: 2607600 4006.6920 20455.1428 14527.0969 238.7417 -203466.0264 2591.2962 0.0000 0.0000 51869.5400 -109777.5169 298.0950 -161647.0569 -109417.2094 298.7030 -156.2269 -125.8948 760989.6445 5.7254 5.4380 PRESSURE: 2607800 -17.2092 117.894 156.348 117.893 -22.627 54.3422 156.348 54.3413 48.8738 GPRESSURE: 2607800 -36.6617 107.497 111.884 127.809 40.0282 65.2996 127.229 58.1441 84.0536 PRESSAVG: 2607800 11.8978 -12.5811 -42.7969 -12.581 -0.00822698 23.9367 -42.7968 23.9367 7.99269 GPRESSAVG: 2607800 11.5455 -13.4813 -43.4333 -12.1087 -0.425685 22.995 -41.6871 23.748 8.21838 TIMING: 2607800 CPU: 8243.19, 0.00313925/step Wall: 8243.19, 0.00313925/step, 2.08603 hours remaining, 239.042969 MB of memory in use. ENERGY: 2607800 4040.4116 20564.0643 14510.1661 225.8574 -203666.9780 2623.3356 0.0000 0.0000 51850.7779 -109852.3651 297.9871 -161703.1430 -109498.0569 298.1475 3.0126 29.1401 760410.9742 6.6274 6.4461 PRESSURE: 2608000 6.79969 -139.934 -193.707 -139.934 68.4456 -98.0703 -193.707 -98.0717 99.6731 GPRESSURE: 2608000 51.4087 -66.023 -216.237 -136.908 92.356 -167.411 -86.185 21.4941 99.0329 PRESSAVG: 2608000 -27.1272 28.0953 28.5128 28.0953 -23.8816 6.015 28.5127 6.01504 10.5485 GPRESSAVG: 2608000 -26.2298 29.6761 28.5449 27.0745 -23.7391 5.90815 28.0272 5.35631 10.2399 TIMING: 2608000 CPU: 8243.82, 0.00315453/step Wall: 8243.82, 0.00315453/step, 2.09601 hours remaining, 239.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2608000 3945.0795 20539.2840 14555.2405 240.1276 -203474.8969 2491.2450 0.0000 0.0000 51713.2321 -109990.6882 297.1967 -161703.9204 -109622.2572 298.5558 58.3061 80.9325 760146.1049 -13.4868 -13.2430 PRESSURE: 2608200 -236.537 88.8797 76.9682 88.8803 -270.022 3.77425 76.9678 3.77462 -44.6761 GPRESSURE: 2608200 -130.719 162.547 164.36 78.5816 -333.922 -33.9497 -9.04606 118.083 -28.6158 PRESSAVG: 2608200 -1.9393 7.11807 -4.0802 7.11812 -5.94177 -29.6838 -4.08019 -29.6837 20.0802 GPRESSAVG: 2608200 -0.9362 5.22967 -4.97806 8.59981 -5.64964 -27.6796 -3.60976 -27.0913 18.9636 TIMING: 2608200 CPU: 8244.45, 0.00314801/step Wall: 8244.45, 0.00314801/step, 2.0915 hours remaining, 239.042969 MB of memory in use. ENERGY: 2608200 4044.4705 20615.1114 14564.6711 263.6242 -203490.9943 2302.7011 0.0000 0.0000 51783.8815 -109916.5345 297.6027 -161700.4160 -109552.4308 298.2152 -183.7449 -164.4191 760706.9958 4.0664 4.1259 LDB: ============= START OF LOAD BALANCING ============== 8256.85 LDB: ============== END OF LOAD BALANCING =============== 8256.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8256.85 LDB: ============= START OF LOAD BALANCING ============== 8257.17 LDB: Largest compute 7058 load 0.036471 is 18.6% of average load 0.196153 LDB: Average compute 0.004366 is 2.2% of average load 0.196153 LDB: TIME 8257.17 LOAD: AVG 0.196153 MAX 0.215191 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.312 MB LDB: TIME 8257.17 LOAD: AVG 0.196153 MAX 0.215191 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.312 MB LDB: TIME 8257.17 LOAD: AVG 0.196153 MAX 0.215191 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.312 MB LDB: ============== END OF LOAD BALANCING =============== 8257.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.18 PRESSURE: 2608400 142.419 -20.1552 15.4972 -20.1549 -78.5779 -241.931 15.4966 -241.931 325.24 GPRESSURE: 2608400 133.045 68.345 54.9624 5.84045 -34.2939 -197.057 -83.8344 -328.502 391.392 PRESSAVG: 2608400 48.7101 44.4108 -31.7482 44.4108 -1.01231 48.4275 -31.7482 48.4275 -22.644 GPRESSAVG: 2608400 45.9195 45.689 -31.9319 44.2934 -0.251254 47.2595 -31.0527 44.6247 -20.1122 TIMING: 2608400 CPU: 8245.09, 0.00322253/step Wall: 8245.09, 0.00322253/step, 2.14083 hours remaining, 238.542969 MB of memory in use. ENERGY: 2608400 4027.7020 20483.8587 14504.9466 254.4978 -203318.4922 2472.3746 0.0000 0.0000 51904.9697 -109670.1427 298.2986 -161575.1124 -109310.8307 298.6855 129.6934 163.3811 760973.5616 8.3513 8.5187 PRESSURE: 2608600 -109.952 98.7215 -227.99 98.7214 -139.805 -55.0133 -227.991 -55.0126 182.088 GPRESSURE: 2608600 5.88005 46.4336 -285.361 11.9116 -155.691 -138.05 -276.891 -33.7786 166.216 PRESSAVG: 2608600 38.986 -3.41886 -3.70348 -3.41884 -34.7112 -5.49098 -3.70346 -5.49095 16.8551 GPRESSAVG: 2608600 41.8097 -4.56154 -2.6765 -3.22642 -35.7571 -6.52346 -5.82641 -2.93196 15.1385 TIMING: 2608600 CPU: 8245.73, 0.00316387/step Wall: 8245.73, 0.00316387/step, 2.10169 hours remaining, 238.542969 MB of memory in use. ENERGY: 2608600 4007.9094 20486.0303 14490.0881 234.2504 -203479.4443 2451.0364 0.0000 0.0000 52038.5979 -109771.5319 299.0665 -161810.1298 -109407.2462 298.1912 -22.5562 5.4682 760941.0843 7.0433 7.0637 PRESSURE: 2608800 -123.028 -30.3825 -377.405 -30.3824 173.095 -27.1447 -377.405 -27.1439 112.277 GPRESSURE: 2608800 -90.3012 47.9749 -380.383 -42.0409 173.005 75.2124 -262.842 -79.3696 160.229 PRESSAVG: 2608800 32.6759 -19.3106 -43.3564 -19.3106 -10.0997 13.9515 -43.3565 13.9515 10.5565 GPRESSAVG: 2608800 33.6221 -17.8881 -43.7028 -18.6445 -10.8776 16.868 -41.9043 11.3891 10.6223 TIMING: 2608800 CPU: 8246.36, 0.00315983/step Wall: 8246.36, 0.00315982/step, 2.09883 hours remaining, 238.542969 MB of memory in use. ENERGY: 2608800 4050.6222 20531.0514 14516.2542 242.2824 -204179.1563 2882.2440 0.0000 0.0000 52101.5959 -109855.1061 299.4286 -161956.7020 -109486.1691 298.9543 54.1145 80.9778 759535.0782 11.0442 11.1223 PRESSURE: 2609000 224.817 -75.1053 196.651 -75.1061 -144.679 -25.3388 196.651 -25.3396 299.644 GPRESSURE: 2609000 235.301 38.6443 169.529 -123.25 -28.0503 -39.3187 166.882 -27.4584 251.986 PRESSAVG: 2609000 32.8385 49.2925 -17.584 49.2925 26.616 26.0655 -17.584 26.0655 -1.91081 GPRESSAVG: 2609000 30.6925 49.0291 -17.7457 47.6343 27.6139 23.5509 -16.43 26.0176 -0.745811 TIMING: 2609000 CPU: 8246.99, 0.00314442/step Wall: 8246.99, 0.00314442/step, 2.08842 hours remaining, 238.542969 MB of memory in use. ENERGY: 2609000 4008.8004 20664.1881 14428.9448 268.4427 -203898.0856 2741.3200 0.0000 0.0000 51959.5422 -109826.8473 298.6122 -161786.3896 -109465.9664 299.5234 126.5942 153.0790 760101.2716 19.1813 19.1869 PRESSURE: 2609200 -164.98 -230.784 46.1384 -230.783 -7.76524 131.967 46.1385 131.966 -179.78 GPRESSURE: 2609200 -39.1808 -258.949 120.186 -109.405 -43.0996 112.102 105.403 17.5926 -184.366 PRESSAVG: 2609200 9.87587 -25.2862 35.7882 -25.2862 -14.2216 -19.366 35.7882 -19.366 14.2084 GPRESSAVG: 2609200 10.5256 -27.7866 37.7027 -24.0249 -14.5154 -19.129 33.9389 -19.1814 14.3516 TIMING: 2609200 CPU: 8247.62, 0.00316732/step Wall: 8247.62, 0.00316732/step, 2.10345 hours remaining, 238.542969 MB of memory in use. ENERGY: 2609200 4061.9871 20635.1463 14429.8779 245.5615 -203947.6795 2642.9842 0.0000 0.0000 52128.2881 -109803.8345 299.5820 -161932.1226 -109442.5478 298.4512 -117.5084 -88.8821 760145.8485 3.2876 3.4540 PRESSURE: 2609400 171.337 31.7505 150.432 31.75 81.8645 -81.6594 150.432 -81.6596 18.8873 GPRESSURE: 2609400 299.799 -16.3784 166.71 109.971 62.1696 -131.885 -86.5324 11.1981 -8.35039 PRESSAVG: 2609400 -14.6979 25.158 29.2485 25.1579 18.3946 7.91902 29.2485 7.91909 19.8154 GPRESSAVG: 2609400 -13.6802 25.5201 29.6489 23.3667 19.505 8.24485 27.8824 10.0399 17.8532 TIMING: 2609400 CPU: 8248.25, 0.00314472/step Wall: 8248.25, 0.00314471/step, 2.08827 hours remaining, 238.542969 MB of memory in use. ENERGY: 2609400 3992.5366 20521.7298 14434.0153 245.5275 -203792.5103 2638.9388 0.0000 0.0000 51999.7352 -109960.0272 298.8432 -161959.7624 -109598.5085 298.3886 90.6962 117.8726 759130.5034 7.8374 7.8927 PRESSURE: 2609600 -280.995 58.6271 116.181 58.6269 23.029 57.9102 116.18 57.9101 -10.3131 GPRESSURE: 2609600 -317.537 42.0597 18.4309 99.0565 106.78 59.112 132.68 18.5569 32.3193 PRESSAVG: 2609600 -47.9847 18.523 -15.5408 18.523 3.07093 -5.4848 -15.5407 -5.48486 1.00304 GPRESSAVG: 2609600 -50.3058 19.039 -18.0548 19.9517 3.71182 -4.82248 -13.4717 -7.01924 2.84098 TIMING: 2609600 CPU: 8248.88, 0.00313869/step Wall: 8248.88, 0.00313869/step, 2.08409 hours remaining, 238.542969 MB of memory in use. ENERGY: 2609600 4065.9340 20548.8863 14440.8663 238.5138 -203654.1637 2399.9209 0.0000 0.0000 52115.3542 -109844.6883 299.5077 -161960.0425 -109485.0831 298.7131 -89.4262 -59.4793 758354.9928 -14.6369 -14.5843 PRESSURE: 2609800 -100.184 -271.06 -57.2385 -271.06 113.024 -72.0239 -57.2384 -72.0242 259.084 GPRESSURE: 2609800 -42.1456 -183.121 -61.012 -272.969 125.581 -82.3426 -65.6358 -110.352 272.805 PRESSAVG: 2609800 13.1137 -13.5301 -12.4867 -13.5301 17.4653 -40.9478 -12.4868 -40.9478 -26.4634 GPRESSAVG: 2609800 14.1759 -13.6312 -11.0487 -14.6025 17.4135 -41.3884 -12.9824 -39.3399 -27.9379 TIMING: 2609800 CPU: 8249.51, 0.00314859/step Wall: 8249.51, 0.00314859/step, 2.09049 hours remaining, 238.542969 MB of memory in use. ENERGY: 2609800 4069.8287 20524.0262 14497.4681 235.2637 -203651.2839 2657.0474 0.0000 0.0000 52085.2504 -109582.3996 299.3346 -161667.6500 -109213.2792 299.1713 90.6412 118.7467 759046.2206 1.3719 1.2172 PRESSURE: 2610000 -230.117 93.1239 406.772 93.1237 -227.574 -40.4664 406.773 -40.4666 347.539 GPRESSURE: 2610000 -138.435 86.4854 333.525 73.1798 -217.66 25.5944 319.193 68.9044 327.142 PRESSAVG: 2610000 52.4697 16.6122 -29.7437 16.6122 -40.6563 9.14095 -29.7437 9.141 -0.111419 GPRESSAVG: 2610000 53.3585 18.0648 -30.1043 15.3937 -41.6163 9.35185 -30.0642 11.0615 -0.153949 TIMING: 2610000 CPU: 8250.14, 0.00314141/step Wall: 8250.14, 0.00314141/step, 2.08555 hours remaining, 238.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2610000 3997.7509 20520.5550 14505.1682 248.5669 -203519.6518 2572.1159 0.0000 0.0000 51993.6270 -109681.8679 298.8081 -161675.4949 -109318.6257 299.3029 -36.7175 -9.6512 760439.2848 3.9007 3.8628 PRESSURE: 2610200 129.191 109.112 88.6795 109.111 -1.6232 -120.459 88.6791 -120.459 19.7463 GPRESSURE: 2610200 23.0508 7.71682 190.178 -68.3154 140.587 -228.91 97.2622 -59.1768 81.023 PRESSAVG: 2610200 1.95089 0.242061 -33.4594 0.242012 33.7421 24.1018 -33.4595 24.1017 19.1472 GPRESSAVG: 2610200 1.50087 -0.982752 -35.0041 1.43639 34.2936 23.1037 -32.5951 25.2586 18.7182 TIMING: 2610200 CPU: 8250.76, 0.00312961/step Wall: 8250.76, 0.00312961/step, 2.07754 hours remaining, 238.542969 MB of memory in use. ENERGY: 2610200 4004.2042 20419.1576 14443.7378 234.7548 -203978.1438 2920.7932 0.0000 0.0000 52272.7160 -109682.7803 300.4120 -161955.4963 -109311.4416 298.8837 49.1048 81.5534 758175.0303 18.2801 18.1709 PRESSURE: 2610400 102.635 138.72 -61.6524 138.719 23.2106 -137.581 -61.6524 -137.581 -94.5093 GPRESSURE: 2610400 99.7528 149.489 42.3 211.379 57.6339 -62.071 -128.184 -67.6124 -39.9304 PRESSAVG: 2610400 61.8886 -2.38533 6.82959 -2.38538 -23.5098 -4.91597 6.82959 -4.91604 14.2455 GPRESSAVG: 2610400 60.6694 -1.24697 8.51177 0.660386 -23.3137 -4.10697 7.03833 -8.2609 14.749 TIMING: 2610400 CPU: 8251.39, 0.00313545/step Wall: 8251.39, 0.00313545/step, 2.08124 hours remaining, 238.542969 MB of memory in use. ENERGY: 2610400 4071.8174 20507.7091 14396.1528 232.8701 -203700.7675 2657.2676 0.0000 0.0000 52259.2456 -109575.7049 300.3346 -161834.9505 -109213.9131 299.4953 10.4454 39.1521 759628.6931 17.5415 17.3682 PRESSURE: 2610600 -325.972 186.38 31.7593 186.38 -15.4721 -147.825 31.759 -147.825 -121.952 GPRESSURE: 2610600 -261.505 117.244 -44.6277 63.4106 -41.9017 -182.11 142.885 -17.1531 -80.1225 PRESSAVG: 2610600 0.867386 -78.7036 11.6672 -78.7035 -11.4643 -42.5078 11.6672 -42.5078 -0.654614 GPRESSAVG: 2610600 3.17706 -78.0643 12.4196 -82.587 -13.0749 -42.7961 11.5857 -42.3184 -0.949328 TIMING: 2610600 CPU: 8252.02, 0.00314318/step Wall: 8252.02, 0.00314318/step, 2.0862 hours remaining, 238.542969 MB of memory in use. ENERGY: 2610600 3997.2709 20602.0527 14503.0772 232.0415 -203448.5555 2336.5232 0.0000 0.0000 51976.4538 -109801.1363 298.7094 -161777.5901 -109442.8952 299.5211 -154.4652 -127.8432 759584.3291 -3.7505 -3.6157 PRESSURE: 2610800 -118.72 17.6927 2.75187 17.6932 -226.195 -330.65 2.7532 -330.65 -188.743 GPRESSURE: 2610800 -114.471 -99.4148 81.4245 -2.37812 -145.992 -234.065 68.0677 -302.243 -196.08 PRESSAVG: 2610800 39.7926 -44.4157 42.0258 -44.4157 -54.5206 -43.5891 42.0258 -43.5891 5.16092 GPRESSAVG: 2610800 37.5481 -46.0144 42.1276 -43.0313 -51.6649 -42.2162 43.173 -43.402 5.10291 TIMING: 2610800 CPU: 8252.65, 0.00313481/step Wall: 8252.65, 0.00313481/step, 2.08047 hours remaining, 238.542969 MB of memory in use. ENERGY: 2610800 4014.7354 20642.7123 14504.6639 235.9982 -203758.2354 2279.4372 0.0000 0.0000 52119.8688 -109960.8197 299.5336 -162080.6885 -109598.2653 299.1666 -177.8861 -152.1806 760234.2174 -3.1890 -3.0046 PRESSURE: 2611000 -298.889 -90.0744 -52.3912 -90.0753 -255.42 -99.6792 -52.3911 -99.6794 -102.134 GPRESSURE: 2611000 -306.589 -64.0081 -99.1855 -120.499 -248.442 -117.436 -138.037 -171.3 -36.8487 PRESSAVG: 2611000 44.8761 -24.6235 12.9555 -24.6235 -31.9842 -27.7012 12.9554 -27.7012 -5.53933 GPRESSAVG: 2611000 45.3339 -25.0567 10.6749 -25.0347 -33.2022 -28.3648 11.2637 -28.4664 -5.01785 TIMING: 2611000 CPU: 8253.27, 0.00314677/step Wall: 8253.27, 0.00314677/step, 2.08823 hours remaining, 238.542969 MB of memory in use. ENERGY: 2611000 4040.9644 20614.1161 14432.3734 245.1443 -203892.8834 2800.4088 0.0000 0.0000 51763.0380 -109996.8384 297.4829 -161759.8764 -109621.8674 298.6577 -218.8144 -197.2932 760812.6630 2.4508 2.3713 PRESSURE: 2611200 221.381 -255.901 8.38789 -255.901 -353.182 -86.7611 8.38712 -86.7606 157.359 GPRESSURE: 2611200 266.143 -254.266 -44.5642 -328.388 -280.123 -95.8584 -24.0185 41.7702 116.481 PRESSAVG: 2611200 23.6921 -38.0167 -11.2067 -38.0168 0.403451 3.19586 -11.2067 3.19589 23.8411 GPRESSAVG: 2611200 23.5642 -36.932 -10.0201 -37.5412 1.47069 1.9316 -9.62548 6.54695 23.0476 TIMING: 2611200 CPU: 8253.91, 0.00315665/step Wall: 8253.91, 0.00315665/step, 2.09461 hours remaining, 238.542969 MB of memory in use. ENERGY: 2611200 3997.5306 20640.2888 14470.8001 249.7510 -203749.0497 2547.7714 0.0000 0.0000 51925.8328 -109917.0750 298.4185 -161842.9078 -109551.1523 298.7325 8.5192 34.1669 758810.0356 15.9789 16.0275 PRESSURE: 2611400 62.2099 -68.745 70.7374 -68.7452 -169.354 14.5698 70.7368 14.5696 102.75 GPRESSURE: 2611400 33.2137 -212.19 152.607 -117.42 -88.6738 16.7686 -59.9046 -106.346 145.573 PRESSAVG: 2611400 50.5786 -70.5733 -16.5741 -70.5733 -52.945 -48.3351 -16.5741 -48.3351 -15.0894 GPRESSAVG: 2611400 52.3286 -72.9703 -14.952 -70.8109 -54.635 -48.7374 -17.7323 -49.5097 -14.809 TIMING: 2611400 CPU: 8254.54, 0.00315484/step Wall: 8254.54, 0.00315484/step, 2.09324 hours remaining, 238.542969 MB of memory in use. ENERGY: 2611400 3962.5222 20488.7145 14499.8738 262.1617 -203594.3282 2692.0099 0.0000 0.0000 51799.1801 -109889.8660 297.6906 -161689.0461 -109534.6697 298.8954 -1.4648 30.0377 760210.9124 -5.8186 -5.7051 PRESSURE: 2611600 118.488 -501.28 -69.2342 -501.281 303.197 73.973 -69.2331 73.9721 706.911 GPRESSURE: 2611600 212.679 -325.989 -137.55 -443.546 299.45 87.9435 48.294 50.8755 701.822 PRESSAVG: 2611600 37.7908 -80.5559 -24.6861 -80.5559 -8.56305 -53.5177 -24.6861 -53.5176 -3.98726 GPRESSAVG: 2611600 36.7102 -77.8284 -26.0826 -80.8374 -7.18501 -53.6102 -24.8423 -53.2232 -3.98454 TIMING: 2611600 CPU: 8255.17, 0.00315032/step Wall: 8255.17, 0.00315032/step, 2.09006 hours remaining, 238.542969 MB of memory in use. ENERGY: 2611600 4002.2286 20474.1746 14431.0504 231.5715 -203404.2235 2619.3229 0.0000 0.0000 52038.4274 -109607.4480 299.0656 -161645.8753 -109244.9890 298.8604 376.1987 404.6503 758037.5911 8.4135 8.5135 PRESSURE: 2611800 -98.218 -108.656 -140.639 -108.656 151.647 -177.339 -140.639 -177.338 285.508 GPRESSURE: 2611800 -1.93346 -154.644 -114.066 -141.605 135.096 -242.347 -247.922 -145.063 282.156 PRESSAVG: 2611800 10.7794 -26.2893 -41.3441 -26.2893 5.68044 -21.4919 -41.344 -21.492 3.76023 GPRESSAVG: 2611800 11.2593 -26.5005 -40.9425 -26.9196 5.52927 -21.3145 -40.2127 -20.3254 3.37944 TIMING: 2611800 CPU: 8255.79, 0.00313986/step Wall: 8255.79, 0.00313986/step, 2.08295 hours remaining, 238.542969 MB of memory in use. ENERGY: 2611800 4006.4086 20458.4791 14483.4343 241.9996 -203247.5246 2455.2111 0.0000 0.0000 52065.6111 -109536.3808 299.2218 -161601.9919 -109164.7962 299.3173 112.9792 138.4396 761234.5736 6.7400 6.7227 PRESSURE: 2612000 -135.89 -16.7426 156.773 -16.7423 403.189 113.974 156.772 113.975 -71.4938 GPRESSURE: 2612000 -87.8305 -24.7575 170.501 112.679 383.736 41.5122 69.0538 215.64 -21.5265 PRESSAVG: 2612000 -55.5752 0.388332 27.2388 0.38836 67.294 9.00639 27.2388 9.00645 0.0377642 GPRESSAVG: 2612000 -56.2356 -0.570975 26.6179 0.365039 67.8802 10.5782 27.3574 6.90779 -0.272895 TIMING: 2612000 CPU: 8256.42, 0.00314852/step Wall: 8256.42, 0.00314852/step, 2.08852 hours remaining, 238.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2612000 4039.2589 20498.7910 14576.7427 239.7488 -203205.2299 2391.3032 0.0000 0.0000 52148.8858 -109310.4995 299.7004 -161459.3853 -108951.6592 299.2682 65.2685 91.4597 761079.8332 3.9189 3.7906 PRESSURE: 2612200 -204.388 -234.9 -163.906 -234.9 370.882 -251.742 -163.905 -251.743 -214.145 GPRESSURE: 2612200 -101.721 -110.437 -100.541 -192.357 254.37 -185.714 12.3856 -218.059 -136.845 PRESSAVG: 2612200 -9.56743 -46.7545 24.7713 -46.7544 50.2145 15.707 24.7713 15.707 1.88264 GPRESSAVG: 2612200 -9.88019 -45.8429 26.1471 -44.4288 49.0318 15.1098 23.9269 15.8013 2.69392 TIMING: 2612200 CPU: 8257.05, 0.00314389/step Wall: 8257.05, 0.00314389/step, 2.08527 hours remaining, 238.542969 MB of memory in use. ENERGY: 2612200 3948.6885 20595.2948 14504.4985 237.0166 -203675.6828 2730.6568 0.0000 0.0000 52026.4901 -109633.0374 298.9970 -161659.5275 -109280.1324 299.7334 -15.8833 5.2679 760223.9590 14.1766 13.9485 LDB: ============= START OF LOAD BALANCING ============== 8269.45 LDB: ============== END OF LOAD BALANCING =============== 8269.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.45 LDB: ============= START OF LOAD BALANCING ============== 8269.77 LDB: Largest compute 7058 load 0.035778 is 18.2% of average load 0.196100 LDB: Average compute 0.004378 is 2.2% of average load 0.196100 LDB: TIME 8269.77 LOAD: AVG 0.1961 MAX 0.217069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.695 MB LDB: TIME 8269.77 LOAD: AVG 0.1961 MAX 0.217069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.898 MB LDB: TIME 8269.77 LOAD: AVG 0.1961 MAX 0.217069 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.898 MB LDB: ============== END OF LOAD BALANCING =============== 8269.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.78 PRESSURE: 2612400 -241.938 -69.058 115.314 -69.0581 -71.5326 128.754 115.314 128.753 -166.162 GPRESSURE: 2612400 -235.605 -72.454 131.155 -154.226 -17.3634 212.62 17.7241 8.148 -153.919 PRESSAVG: 2612400 -22.0263 -54.7436 -4.47704 -54.7436 39.4272 -29.3776 -4.47699 -29.3777 10.1562 GPRESSAVG: 2612400 -21.7449 -56.0706 -5.70887 -56.9942 39.1517 -30.0814 -4.02341 -28.4753 10.7521 TIMING: 2612400 CPU: 8257.7, 0.00321707/step Wall: 8257.7, 0.00321707/step, 2.13363 hours remaining, 240.667969 MB of memory in use. ENERGY: 2612400 3991.1977 20625.4893 14508.9232 246.6177 -203229.5650 2220.6626 0.0000 0.0000 52104.8897 -109531.7848 299.4475 -161636.6745 -109176.1709 299.1017 -159.8777 -135.6290 760045.2240 9.1857 9.3863 PRESSURE: 2612600 120.54 -2.26075 -76.2021 -2.26054 195.137 210.172 -76.2024 210.171 -143.89 GPRESSURE: 2612600 118.787 -33.2877 -12.6765 -0.546195 216.641 190.096 -270.189 57.3467 -63.1136 PRESSAVG: 2612600 8.16536 -85.1182 20.1783 -85.1182 65.4093 17.6125 20.1782 17.6125 4.82313 GPRESSAVG: 2612600 8.72576 -82.9631 22.1528 -85.4325 64.5541 18.0559 19.6511 18.3066 5.29424 TIMING: 2612600 CPU: 8258.33, 0.00316684/step Wall: 8258.33, 0.00316684/step, 2.10014 hours remaining, 240.871094 MB of memory in use. ENERGY: 2612600 4001.1032 20435.7919 14478.8419 249.5438 -203462.0845 2664.5531 0.0000 0.0000 52283.8561 -109348.3944 300.4760 -161632.2505 -108982.0825 299.7476 57.2621 90.7717 759664.3975 26.1326 26.1914 PRESSURE: 2612800 -143.146 168.94 362.72 168.94 70.741 -172.771 362.72 -172.772 165.177 GPRESSURE: 2612800 -82.2255 3.14943 384.33 225.212 90.3146 -237.208 279.173 7.33532 194.421 PRESSAVG: 2612800 8.36189 -40.874 15.9141 -40.874 -56.8212 -12.2311 15.9141 -12.231 -16.9277 GPRESSAVG: 2612800 7.9358 -41.9741 15.0654 -39.6293 -55.2109 -12.8932 15.3861 -12.0332 -17.925 TIMING: 2612800 CPU: 8258.97, 0.00317677/step Wall: 8258.97, 0.00317677/step, 2.10655 hours remaining, 240.871094 MB of memory in use. ENERGY: 2612800 3934.6479 20421.4057 14406.2613 240.5454 -203308.2963 2573.9620 0.0000 0.0000 52112.9073 -109618.5666 299.4936 -161731.4739 -109253.5451 299.2693 30.9242 67.5035 760466.3853 -21.7957 -21.7334 PRESSURE: 2613000 -127.088 47.0182 -168.208 47.0184 -4.72368 -68.8599 -168.209 -68.8598 91.0778 GPRESSURE: 2613000 -92.3746 -41.2528 -147.222 119.889 3.51166 -84.6362 -214.554 -73.7308 132.866 PRESSAVG: 2613000 37.1131 -4.48131 56.3784 -4.48126 14.891 -6.16217 56.3784 -6.16216 0.326525 GPRESSAVG: 2613000 36.7551 -4.80323 57.5675 -3.52964 14.8495 -6.00524 54.88 -5.38538 0.957281 TIMING: 2613000 CPU: 8259.6, 0.00317453/step Wall: 8259.6, 0.00317453/step, 2.10489 hours remaining, 240.871094 MB of memory in use. ENERGY: 2613000 3934.9764 20562.3223 14489.4545 256.7128 -203351.2028 2239.7237 0.0000 0.0000 52109.8576 -109758.1556 299.4761 -161868.0131 -109392.5776 298.8111 -13.5780 14.6678 760936.7512 17.4435 17.5206 PRESSURE: 2613200 -67.5114 -190.825 -98.5285 -190.826 -222.619 33.8006 -98.5278 33.7994 18.6415 GPRESSURE: 2613200 -2.48467 -147.586 -160.17 -161.416 -235.933 25.2301 -97.9934 4.86582 45.9941 PRESSAVG: 2613200 -14.8093 -36.5584 -9.474 -36.5584 40.4342 -34.6742 -9.47402 -34.6743 -1.44418 GPRESSAVG: 2613200 -14.0383 -38.4719 -9.09396 -38.7703 39.4868 -33.3619 -7.99959 -36.7873 -1.07079 TIMING: 2613200 CPU: 8260.23, 0.00315912/step Wall: 8260.23, 0.00315912/step, 2.0945 hours remaining, 240.871094 MB of memory in use. ENERGY: 2613200 3991.4024 20451.0399 14510.9001 252.9064 -203615.8862 2474.3625 0.0000 0.0000 51900.5327 -110034.7421 298.2731 -161935.2748 -109676.9061 298.2274 -90.4962 -64.1411 759210.0521 8.0603 8.1259 PRESSURE: 2613400 -185.963 113.767 233.793 113.769 -193.721 253.238 233.793 253.238 -381.261 GPRESSURE: 2613400 -143.453 -30.336 234.394 50.4056 -143.255 228.783 147.634 84.5454 -391.323 PRESSAVG: 2613400 -26.6788 -19.9649 -2.81272 -19.9649 39.0923 -8.79404 -2.81272 -8.79404 16.4161 GPRESSAVG: 2613400 -26.3454 -19.3628 -5.34453 -20.8564 39.3669 -9.2535 -2.99766 -9.92341 15.587 TIMING: 2613400 CPU: 8260.87, 0.00317282/step Wall: 8260.87, 0.00317282/step, 2.10341 hours remaining, 240.871094 MB of memory in use. ENERGY: 2613400 3950.4451 20456.5240 14450.2312 246.8982 -203173.3703 2245.0671 0.0000 0.0000 52058.1586 -109766.0461 299.1790 -161824.2047 -109403.3389 298.5458 -253.6486 -226.0103 760268.3766 9.6099 9.5361 PRESSURE: 2613600 -196.433 -192.092 81.3544 -192.092 58.7276 90.6791 81.3536 90.6794 144.096 GPRESSURE: 2613600 -56.178 -183.864 73.5142 -237.013 154.828 149.319 33.7844 56.3637 10.1201 PRESSAVG: 2613600 -14.9867 -55.2861 -29.0915 -55.2861 26.3264 27.9011 -29.0915 27.9011 -33.1248 GPRESSAVG: 2613600 -14.156 -53.4278 -28.8218 -55.449 25.406 27.628 -29.4494 30.2429 -33.3495 TIMING: 2613600 CPU: 8261.5, 0.00316042/step Wall: 8261.5, 0.00316042/step, 2.09501 hours remaining, 240.871094 MB of memory in use. ENERGY: 2613600 3960.7628 20477.2389 14517.5649 249.1030 -203249.1299 2496.2415 0.0000 0.0000 51968.4315 -109579.7873 298.6633 -161548.2188 -109216.9258 298.2943 2.1301 36.2567 760525.4879 -7.2617 -7.3665 PRESSURE: 2613800 159.69 -235.985 -223.133 -235.985 5.11213 246.262 -223.134 246.262 126.866 GPRESSURE: 2613800 117.088 -301.072 -100.551 -296.884 52.0734 101.103 -93.0141 271.828 219.177 PRESSAVG: 2613800 -8.33262 -61.5549 -10.0601 -61.5548 5.61972 30.325 -10.0601 30.3251 0.949427 GPRESSAVG: 2613800 -10.1927 -61.0187 -8.44443 -59.3979 6.04749 31.4942 -10.369 31.2304 2.03087 TIMING: 2613800 CPU: 8262.14, 0.00318266/step Wall: 8262.14, 0.00318266/step, 2.10957 hours remaining, 240.871094 MB of memory in use. ENERGY: 2613800 3941.7738 20714.8431 14357.0092 233.1834 -203428.3491 2446.3334 0.0000 0.0000 52166.8243 -109568.3820 299.8035 -161735.2063 -109205.3958 298.9522 97.2226 129.4462 760357.9863 -0.5878 -0.7048 PRESSURE: 2614000 13.7564 -22.0089 88.7923 -22.0098 165.04 -65.5804 88.7927 -65.5803 293.14 GPRESSURE: 2614000 80.7203 24.1423 49.4834 -77.9452 173.057 -36.4462 88.1927 -175.865 299.812 PRESSAVG: 2614000 37.4716 -25.323 -0.240775 -25.3229 4.93184 26.3873 -0.240821 26.3872 -2.4223 GPRESSAVG: 2614000 38.8555 -24.9162 -0.652291 -27.8591 5.92291 24.5908 0.69582 25.9623 -4.58628 TIMING: 2614000 CPU: 8262.77, 0.00316661/step Wall: 8262.77, 0.00316661/step, 2.09876 hours remaining, 240.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2614000 3994.5015 20545.2710 14417.5663 238.2215 -203490.1331 2733.5881 0.0000 0.0000 51881.7252 -109679.2595 298.1650 -161560.9847 -109326.9246 299.0687 157.3120 184.5297 760260.3484 13.3270 13.3974 PRESSURE: 2614200 -192.545 -20.0239 -147.977 -20.0233 -549.277 243.762 -147.976 243.764 342.913 GPRESSURE: 2614200 -104.15 32.3541 -164.71 -96.4059 -449.312 186.713 -126.366 202.586 259.185 PRESSAVG: 2614200 -32.265 -33.0911 10.9286 -33.0911 66.2839 31.6016 10.9287 31.6017 32.7931 GPRESSAVG: 2614200 -32.6637 -35.9508 9.57699 -29.6445 65.83 34.045 10.281 29.1376 33.3634 TIMING: 2614200 CPU: 8263.4, 0.00316016/step Wall: 8263.4, 0.00316016/step, 2.09431 hours remaining, 240.871094 MB of memory in use. ENERGY: 2614200 3993.6524 20512.7429 14446.5967 253.0427 -203250.1123 2237.0844 0.0000 0.0000 51853.3094 -109953.6839 298.0017 -161806.9933 -109600.5182 298.9760 -132.9698 -98.0924 759669.3298 22.2707 22.1765 PRESSURE: 2614400 323.756 -143.305 -39.8218 -143.305 -222.494 68.5394 -39.8221 68.5385 444.562 GPRESSURE: 2614400 314.474 -71.2751 -34.894 -74.3411 -130.161 20.2627 52.7855 185.371 450.18 PRESSAVG: 2614400 23.4753 -54.4275 37.7236 -54.4275 1.28143 66.5444 37.7235 66.5443 17.3259 GPRESSAVG: 2614400 22.2313 -54.6531 39.4862 -55.5214 1.95293 63.7081 38.1707 70.0009 17.6533 TIMING: 2614400 CPU: 8264.03, 0.00316568/step Wall: 8264.03, 0.00316568/step, 2.09779 hours remaining, 240.871094 MB of memory in use. ENERGY: 2614400 3954.7407 20725.0822 14480.7599 238.8703 -203705.5213 2563.0148 0.0000 0.0000 51966.2265 -109776.8269 298.6506 -161743.0533 -109415.3184 298.4373 181.9410 211.4975 759518.2995 14.0275 13.9459 PRESSURE: 2614600 68.0567 -155.479 82.5981 -155.48 90.5942 -93.3511 82.5983 -93.3508 246.713 GPRESSURE: 2614600 184.326 -101.059 124.038 -284.919 97.742 -83.685 158.062 -102.884 205.021 PRESSAVG: 2614600 17.3353 -58.8746 43.6461 -58.8745 -6.59507 15.0988 43.646 15.0988 34.3373 GPRESSAVG: 2614600 18.0593 -55.7799 43.7385 -59.2443 -6.91082 15.0607 44.0139 13.8511 33.3961 TIMING: 2614600 CPU: 8264.67, 0.00316488/step Wall: 8264.67, 0.00316488/step, 2.09708 hours remaining, 240.871094 MB of memory in use. ENERGY: 2614600 3966.5317 20456.0810 14393.1150 261.9266 -203476.5317 2478.2075 0.0000 0.0000 52180.3168 -109740.3530 299.8810 -161920.6698 -109385.0603 299.1434 135.1215 162.3629 759544.9504 15.0258 14.8482 PRESSURE: 2614800 230.084 -283.475 -1.10253 -283.476 -212.299 -58.4807 -1.10189 -58.4799 100.25 GPRESSURE: 2614800 152.685 -235.197 13.5963 -155.606 -81.4515 -70.2704 20.3156 42.4058 138.6 PRESSAVG: 2614800 25.9218 -12.4557 33.0473 -12.4557 -50.9712 -35.3272 33.0473 -35.3273 -9.73996 GPRESSAVG: 2614800 25.1843 -13.0057 31.599 -12.5142 -50.9934 -34.0621 34.743 -34.033 -9.14153 TIMING: 2614800 CPU: 8265.3, 0.00318977/step Wall: 8265.3, 0.00318977/step, 2.1134 hours remaining, 240.871094 MB of memory in use. ENERGY: 2614800 3933.9066 20531.7798 14441.8159 254.8437 -203275.5160 2417.1707 0.0000 0.0000 52010.5646 -109685.4347 298.9054 -161695.9993 -109328.6456 298.8885 39.3448 69.9446 761634.1227 -11.5964 -11.6502 PRESSURE: 2615000 -366.959 -135.545 249.494 -135.545 72.9983 -35.0614 249.494 -35.0615 196.082 GPRESSURE: 2615000 -307.086 -165.506 188.975 -198.084 24.9711 -75.612 174.254 -17.3657 295.378 PRESSAVG: 2615000 24.6151 -73.4527 56.8222 -73.4528 -31.8114 -1.77932 56.8222 -1.77931 -2.93735 GPRESSAVG: 2615000 25.0631 -76.0406 57.4531 -73.9527 -31.7154 -1.81421 56.1368 -4.62882 -2.80093 TIMING: 2615000 CPU: 8265.94, 0.00319407/step Wall: 8265.94, 0.00319407/step, 2.11607 hours remaining, 240.871094 MB of memory in use. ENERGY: 2615000 4013.3830 20409.0328 14549.9048 251.5727 -203380.1257 2510.9168 0.0000 0.0000 51945.7281 -109699.5876 298.5328 -161645.3156 -109334.6712 298.7992 -32.6260 4.4209 761534.6403 -3.3779 -3.1511 PRESSURE: 2615200 119.736 -223.198 -158.889 -223.197 -74.4659 57.0836 -158.889 57.0837 -353.644 GPRESSURE: 2615200 77.3853 -193.124 -223.07 -279.053 -45.6616 108.459 -121.556 151.267 -243.253 PRESSAVG: 2615200 37.7951 -81.8107 40.2894 -81.8108 -13.2103 -11.7848 40.2894 -11.7848 21.4645 GPRESSAVG: 2615200 37.5549 -80.2786 41.5617 -81.7129 -13.3002 -11.7554 39.6478 -10.819 21.8223 TIMING: 2615200 CPU: 8266.58, 0.00318767/step Wall: 8266.58, 0.00318767/step, 2.11166 hours remaining, 240.871094 MB of memory in use. ENERGY: 2615200 3973.6927 20725.2402 14478.1685 252.5008 -203524.3030 2462.8790 0.0000 0.0000 51920.3745 -109711.4475 298.3871 -161631.8220 -109353.0783 298.4972 -102.7913 -70.5099 758880.0016 15.3498 15.3590 PRESSURE: 2615400 -420.731 -120.345 -72.6064 -120.346 -57.1235 327.655 -72.6073 327.654 -181.556 GPRESSURE: 2615400 -317.616 -15.5756 -109.487 -8.08962 21.9972 289.943 -135.079 254.933 -279.7 PRESSAVG: 2615400 23.3436 -96.0388 55.5993 -96.0387 -37.2795 17.7495 55.5993 17.7495 5.9598 GPRESSAVG: 2615400 24.2869 -96.1142 55.0763 -94.8777 -35.9346 18.2739 56.0931 18.3496 3.33436 TIMING: 2615400 CPU: 8267.22, 0.00317534/step Wall: 8267.22, 0.00317534/step, 2.10331 hours remaining, 240.871094 MB of memory in use. ENERGY: 2615400 3926.8941 20740.7765 14468.1293 232.2287 -203748.0147 2598.0850 0.0000 0.0000 51899.8875 -109882.0135 298.2694 -161781.9010 -109518.1719 298.7598 -219.8037 -191.7729 759655.9412 -2.6587 -2.7711 PRESSURE: 2615600 -308.144 -67.7436 66.6568 -67.743 156.539 -58.296 66.6569 -58.2968 146.558 GPRESSURE: 2615600 -223.316 40.6576 93.4533 -126.594 55.2911 -43.0487 61.6796 21.2225 238.073 PRESSAVG: 2615600 -18.3783 12.4847 -17.9884 12.4848 0.35551 -12.362 -17.9883 -12.3621 0.268308 GPRESSAVG: 2615600 -18.8747 15.6216 -18.6847 11.2432 -2.01813 -13.3393 -18.064 -13.214 2.3372 TIMING: 2615600 CPU: 8267.85, 0.00315882/step Wall: 8267.85, 0.00315882/step, 2.09219 hours remaining, 240.871094 MB of memory in use. ENERGY: 2615600 3890.9902 20605.0822 14451.2164 248.3351 -203625.5305 2427.6820 0.0000 0.0000 52196.2036 -109806.0211 299.9723 -162002.2248 -109440.2145 298.8229 -1.6821 23.3493 759561.3576 -5.9182 -6.1852 PRESSURE: 2615800 288.738 48.3253 42.5321 48.3245 50.1349 -156.258 42.5322 -156.258 83.6074 GPRESSURE: 2615800 294.414 -32.3093 -56.734 -31.6314 112.487 -210.321 -37.4252 -175.444 102.203 PRESSAVG: 2615800 26.7227 -16.1042 -17.8723 -16.1042 13.6309 -5.79919 -17.8724 -5.79924 -10.7463 GPRESSAVG: 2615800 25.6961 -18.7718 -17.6728 -16.7611 14.3311 -4.84037 -19.0118 -3.9948 -10.8453 TIMING: 2615800 CPU: 8268.48, 0.00316495/step Wall: 8268.48, 0.00316495/step, 2.09608 hours remaining, 240.871094 MB of memory in use. ENERGY: 2615800 4052.0582 20574.6905 14361.5230 236.3760 -203869.5820 2781.6671 0.0000 0.0000 52211.9299 -109651.3373 300.0627 -161863.2672 -109293.0522 298.9993 140.8266 169.7014 759700.5631 9.8691 9.7273 PRESSURE: 2616000 165.999 34.1212 -153.769 34.1219 126.459 89.3766 -153.769 89.377 -172.794 GPRESSURE: 2616000 192.546 50.1151 -236.02 8.05541 113.533 55.404 -33.8349 114.872 -87.2751 PRESSAVG: 2616000 35.6111 -28.6524 -18.9027 -28.6523 -28.6155 27.6945 -18.9026 27.6945 -4.84302 GPRESSAVG: 2616000 36.2165 -29.9334 -18.7974 -27.2727 -28.3125 26.8994 -17.0754 25.6997 -5.81665 TIMING: 2616000 CPU: 8269.11, 0.00315697/step Wall: 8269.11, 0.00315697/step, 2.09062 hours remaining, 240.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2616000 3984.7487 20635.2252 14477.4355 263.9245 -203233.1475 2356.2042 0.0000 0.0000 52019.3942 -109496.2152 298.9562 -161515.6094 -109125.0222 299.5401 39.8881 72.9345 760324.0270 0.7175 0.6958 PRESSURE: 2616200 -144.211 -22.5321 20.0247 -22.5325 96.1413 140.465 20.0254 140.464 -9.14914 GPRESSURE: 2616200 -151.429 3.44771 43.43 -27.5325 177.792 165.013 109.761 103.246 6.22508 PRESSAVG: 2616200 2.46899 -89.7082 -28.5662 -89.7082 37.7862 48.3799 -28.5662 48.3799 8.00358 GPRESSAVG: 2616200 2.07647 -88.691 -27.8043 -88.1674 37.3922 48.4812 -29.3168 50.5052 9.04845 TIMING: 2616200 CPU: 8269.75, 0.00318039/step Wall: 8269.75, 0.00318039/step, 2.10595 hours remaining, 240.871094 MB of memory in use. ENERGY: 2616200 3949.8953 20599.5441 14479.7627 233.8209 -203290.7971 2332.4979 0.0000 0.0000 52172.3045 -109522.9717 299.8350 -161695.2762 -109160.7904 299.5637 -19.0729 10.8629 759598.2238 16.0863 16.1724 LDB: ============= START OF LOAD BALANCING ============== 8282.15 LDB: ============== END OF LOAD BALANCING =============== 8282.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8282.15 LDB: ============= START OF LOAD BALANCING ============== 8282.47 LDB: Largest compute 7058 load 0.035605 is 18.2% of average load 0.196068 LDB: Average compute 0.004372 is 2.2% of average load 0.196068 LDB: TIME 8282.47 LOAD: AVG 0.196068 MAX 0.216876 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.684 MB LDB: TIME 8282.48 LOAD: AVG 0.196068 MAX 0.216876 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 8282.48 LOAD: AVG 0.196068 MAX 0.216876 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8282.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8282.48 PRESSURE: 2616400 119.096 -279.862 43.9285 -279.862 -193.056 7.49685 43.9293 7.49625 267.492 GPRESSURE: 2616400 279.306 -213.565 87.2405 -287.101 -179.495 -3.58329 93.1268 25.6602 183.736 PRESSAVG: 2616400 42.6097 -64.1689 12.378 -64.1689 -23.9301 -41.9761 12.3779 -41.9761 -7.76526 GPRESSAVG: 2616400 43.8131 -61.7973 13.5459 -66.0257 -24.2884 -42.0279 11.4725 -42.7109 -8.8058 TIMING: 2616400 CPU: 8270.4, 0.00325438/step Wall: 8270.4, 0.00325438/step, 2.15476 hours remaining, 237.332031 MB of memory in use. ENERGY: 2616400 3978.3518 20494.1305 14489.1799 236.2966 -203441.2947 2405.6035 0.0000 0.0000 52362.6304 -109475.1020 300.9288 -161837.7324 -109098.6958 299.5644 64.5109 94.5156 760015.3398 3.6381 3.5729 PRESSURE: 2616600 -489.983 -121.556 173.71 -121.556 -346.714 162.084 173.71 162.084 95.2863 GPRESSURE: 2616600 -492.533 -45.2409 183.586 -175.478 -298.557 121.093 173.465 63.8826 108.975 PRESSAVG: 2616600 20.4672 -83.5435 -4.53914 -83.5435 -1.74745 -5.94513 -4.53912 -5.94512 3.24489 GPRESSAVG: 2616600 19.3182 -85.4717 -7.94635 -83.7922 -1.36661 -5.77458 -3.13863 -7.26439 3.15854 TIMING: 2616600 CPU: 8271.04, 0.00318424/step Wall: 8271.04, 0.00318424/step, 2.10814 hours remaining, 237.332031 MB of memory in use. ENERGY: 2616600 4049.3661 20534.8592 14489.7469 251.9014 -203056.1377 2075.1704 0.0000 0.0000 51986.1568 -109668.9368 298.7652 -161655.0936 -109301.5809 299.4779 -247.1369 -227.3715 761909.4456 7.3215 7.0367 PRESSURE: 2616800 242.61 -139.071 -96.0631 -139.071 -143.447 -132.329 -96.0632 -132.329 175.565 GPRESSURE: 2616800 304.519 -126.668 -147.118 10.92 -111.639 -162.436 -143.707 -87.9175 180.254 PRESSAVG: 2616800 4.60117 -34.6989 -23.0304 -34.6989 -21.5991 -29.0248 -23.0303 -29.0248 17.9393 GPRESSAVG: 2616800 4.60457 -34.3716 -20.9966 -31.8461 -22.1641 -28.5135 -25.0304 -27.418 18.4246 TIMING: 2616800 CPU: 8271.67, 0.0031745/step Wall: 8271.67, 0.0031745/step, 2.10152 hours remaining, 237.332031 MB of memory in use. ENERGY: 2616800 4044.8329 20564.3082 14433.5284 242.1086 -203288.6614 2535.6200 0.0000 0.0000 51709.4209 -109758.8423 297.1748 -161468.2632 -109399.9589 298.6571 91.5758 124.3780 759708.4363 0.3138 0.2883 PRESSURE: 2617000 -26.2827 31.294 -148.196 31.2932 15.8658 -26.4997 -148.195 -26.4989 -19.7999 GPRESSURE: 2617000 -7.10281 20.8278 -75.2167 -7.77745 76.5133 -21.2696 -115.668 3.05105 -18.8363 PRESSAVG: 2617000 -21.791 -51.0706 -42.6172 -51.0706 12.5342 -51.9788 -42.6172 -51.9789 5.21681 GPRESSAVG: 2617000 -21.6107 -51.845 -43.5687 -51.6023 12.9202 -51.6396 -39.9085 -54.1147 4.8734 TIMING: 2617000 CPU: 8272.31, 0.00319331/step Wall: 8272.31, 0.00319331/step, 2.11379 hours remaining, 237.332031 MB of memory in use. ENERGY: 2617000 3931.4451 20566.3447 14436.0209 256.5482 -203036.2074 2241.8515 0.0000 0.0000 51843.5861 -109760.4110 297.9458 -161603.9971 -109400.6817 298.3392 -10.0722 16.8581 759863.7018 -1.3467 -1.2724 PRESSURE: 2617200 -146.159 -80.949 31.2643 -80.9489 -36.39 -156.656 31.2636 -156.656 -445.081 GPRESSURE: 2617200 -93.6575 -71.9721 32.8685 -135.856 -31.0415 -143.504 132.712 -204.693 -413.693 PRESSAVG: 2617200 -4.15876 -15.0594 -55.9701 -15.0595 33.6919 -35.38 -55.9701 -35.38 16.9515 GPRESSAVG: 2617200 -5.09514 -13.4976 -55.105 -16.4412 33.4652 -36.3063 -54.3546 -35.5045 17.8509 TIMING: 2617200 CPU: 8272.94, 0.00316485/step Wall: 8272.94, 0.00316485/step, 2.09478 hours remaining, 237.332031 MB of memory in use. ENERGY: 2617200 4017.8524 20612.1213 14433.3548 262.7555 -203551.0468 2613.6851 0.0000 0.0000 51795.1516 -109816.1261 297.6674 -161611.2777 -109442.9323 298.7952 -209.2101 -179.4641 759735.4370 15.4949 15.4070 PRESSURE: 2617400 -192.015 -151.062 -71.3092 -151.062 160.487 -247.742 -71.3101 -247.741 -47.438 GPRESSURE: 2617400 4.7422 -121.963 -57.7279 -169.177 76.5896 -133.996 -18.3926 -218.791 -74.7028 PRESSAVG: 2617400 -52.4645 -68.9827 -17.0488 -68.9827 42.6889 26.8223 -17.0488 26.8224 -2.08994 GPRESSAVG: 2617400 -51.2363 -67.9072 -17.715 -69.6039 41.4061 26.7495 -19.8388 28.5606 -2.22355 TIMING: 2617400 CPU: 8273.57, 0.00315978/step Wall: 8273.57, 0.00315978/step, 2.09125 hours remaining, 237.332031 MB of memory in use. ENERGY: 2617400 4012.7291 20611.1089 14419.6675 239.4661 -203723.5471 2822.3711 0.0000 0.0000 52023.9695 -109594.2350 298.9825 -161618.2045 -109233.2377 299.2828 -26.3220 2.2097 761150.8518 -3.9552 -4.0179 PRESSURE: 2617600 -430.243 -97.786 -321.399 -97.7857 -287.681 151.267 -321.399 151.267 -309.486 GPRESSURE: 2617600 -237.196 -213.443 -298.211 -231.567 -361.876 95.2603 -140.105 205.955 -352.852 PRESSAVG: 2617600 -40.3562 -16.2762 5.87177 -16.2762 25.9468 -6.29669 5.8717 -6.29676 -2.2873 GPRESSAVG: 2617600 -40.1626 -18.0236 7.03014 -14.7375 26.1472 -4.98948 6.7931 -6.10618 -3.09543 TIMING: 2617600 CPU: 8274.21, 0.00317174/step Wall: 8274.21, 0.00317174/step, 2.09899 hours remaining, 237.332031 MB of memory in use. ENERGY: 2617600 4035.6125 20650.3138 14496.8338 238.4077 -203981.1374 2715.0803 0.0000 0.0000 52032.0850 -109812.8044 299.0291 -161844.8893 -109453.6584 299.2699 -342.4699 -317.3082 761942.1746 -5.5656 -5.7036 PRESSURE: 2617800 82.9348 -51.6063 106.706 -51.605 159.622 65.6431 106.706 65.6441 -450.595 GPRESSURE: 2617800 43.3456 77.4907 144.754 -77.2162 203.217 17.7863 -34.0945 7.32046 -370.976 PRESSAVG: 2617800 -43.5915 -15.7216 -46.5668 -15.7215 42.6754 -15.8606 -46.5668 -15.8606 -17.6747 GPRESSAVG: 2617800 -44.4716 -14.4145 -47.3433 -16.8918 43.8169 -16.7966 -45.7471 -17.3717 -17.7625 TIMING: 2617800 CPU: 8274.85, 0.00318327/step Wall: 8274.85, 0.00318327/step, 2.10644 hours remaining, 237.332031 MB of memory in use. ENERGY: 2617800 3984.8008 20552.3643 14401.9671 235.2160 -203597.9295 2593.4782 0.0000 0.0000 52085.8358 -109744.2671 299.3380 -161830.1029 -109374.3279 299.1837 -69.3458 -41.4712 761661.7533 -6.1969 -6.1391 PRESSURE: 2618000 66.1344 -271.332 -132.586 -271.332 -51.1914 -12.2332 -132.586 -12.2324 230.201 GPRESSURE: 2618000 147.472 -157.895 -158.145 -220.785 26.2122 -20.8249 -127.677 -7.5678 169.194 PRESSAVG: 2618000 -24.9007 -42.2339 25.4248 -42.2339 35.369 -68.679 25.4248 -68.6789 21.1958 GPRESSAVG: 2618000 -24.2218 -40.8792 25.5417 -40.9196 34.3146 -69.2657 23.4609 -68.2598 21.2567 TIMING: 2618000 CPU: 8275.48, 0.00318654/step Wall: 8275.48, 0.00318654/step, 2.10842 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2618000 3962.3295 20458.3412 14411.8478 255.6152 -203764.9391 2707.3785 0.0000 0.0000 52065.4628 -109903.9642 299.2209 -161969.4269 -109534.5694 298.6218 81.7148 114.2926 761042.4471 10.5547 10.4498 PRESSURE: 2618200 19.3525 -73.2095 -259.082 -73.2097 -101.329 -13.419 -259.082 -13.419 -81.2678 GPRESSURE: 2618200 46.7501 -22.5732 -133.613 -48.1243 -65.3401 -82.8836 -307.456 74.5554 -56.9366 PRESSAVG: 2618200 72.0739 -51.1155 -31.6214 -51.1155 -105.383 -45.2568 -31.6214 -45.2567 9.80057 GPRESSAVG: 2618200 72.3337 -53.1295 -32.4157 -51.7766 -104.781 -46.1151 -29.6914 -43.4684 9.36636 TIMING: 2618200 CPU: 8276.12, 0.00318321/step Wall: 8276.12, 0.00318321/step, 2.10605 hours remaining, 237.332031 MB of memory in use. ENERGY: 2618200 3990.5170 20567.9522 14456.4376 245.8499 -203574.4381 2422.0980 0.0000 0.0000 51997.1324 -109894.4511 298.8282 -161891.5834 -109533.3487 298.5766 -54.4147 -25.1755 759743.6682 -7.8362 -7.6936 PRESSURE: 2618400 -77.0957 6.22436 164.496 6.22424 63.0976 -142.693 164.496 -142.692 159.596 GPRESSURE: 2618400 -4.18878 -127.982 177.284 73.9842 77.5398 -79.4281 47.2328 -270.226 142.369 PRESSAVG: 2618400 -7.27988 -0.635918 3.76296 -0.635885 13.4876 -5.79515 3.76293 -5.79506 5.24791 GPRESSAVG: 2618400 -7.10499 -0.663464 4.21312 -1.31706 12.7717 -3.98639 4.31467 -7.85722 5.62915 TIMING: 2618400 CPU: 8276.76, 0.00318871/step Wall: 8276.76, 0.00318871/step, 2.10951 hours remaining, 237.332031 MB of memory in use. ENERGY: 2618400 3912.1779 20669.9683 14417.7537 253.6663 -203457.0470 2337.7165 0.0000 0.0000 51972.4320 -109893.3323 298.6863 -161865.7643 -109522.1337 298.5573 48.5327 71.9066 760865.7074 3.8185 3.7653 PRESSURE: 2618600 7.91985 59.1911 137.233 59.1914 -430.109 32.5312 137.233 32.5316 -104.624 GPRESSURE: 2618600 -41.1014 157.107 181.034 109.511 -336.959 -79.7904 128.946 6.83342 -48.3894 PRESSAVG: 2618600 -1.24445 -29.0017 -33.4567 -29.0016 -6.53203 -48.8107 -33.4567 -48.8107 -11.8561 GPRESSAVG: 2618600 -1.43014 -28.182 -33.8996 -28.4048 -5.9351 -51.1265 -33.0155 -45.5127 -12.193 TIMING: 2618600 CPU: 8277.39, 0.00315521/step Wall: 8277.39, 0.00315521/step, 2.08717 hours remaining, 237.332031 MB of memory in use. ENERGY: 2618600 3997.8747 20515.4565 14415.1290 251.8293 -203901.2610 2520.9869 0.0000 0.0000 52142.1080 -110057.8766 299.6614 -162199.9846 -109689.2589 298.9169 -175.6043 -142.1500 759853.5511 -6.5442 -6.5194 PRESSURE: 2618800 96.0982 74.6799 2.62444 74.6797 98.6644 -99.1966 2.62456 -99.196 -373.154 GPRESSURE: 2618800 144.964 -72.027 44.6492 -21.5774 47.3541 -77.2444 -61.676 -31.9233 -286.266 PRESSAVG: 2618800 29.6273 -8.78049 31.8231 -8.78049 -33.3079 -0.0707088 31.8231 -0.0706051 21.0676 GPRESSAVG: 2618800 31.4726 -9.79227 30.8241 -9.1219 -34.6496 -0.34361 32.3034 -1.48388 20.8829 TIMING: 2618800 CPU: 8278.02, 0.00316648/step Wall: 8278.02, 0.00316648/step, 2.09445 hours remaining, 237.332031 MB of memory in use. ENERGY: 2618800 3969.1278 20513.3720 14455.8808 239.9469 -203384.7076 2448.2916 0.0000 0.0000 51871.4753 -109886.6133 298.1061 -161758.0886 -109535.4186 298.5169 -59.4637 -31.3161 761434.3085 5.7957 5.9020 PRESSURE: 2619000 -205.601 -76.216 -99.1571 -76.2157 -241.638 121.055 -99.1575 121.056 125.927 GPRESSURE: 2619000 -177.659 -40.2784 -130.22 -114.264 -209.926 88.4336 -108.593 88.2147 157.972 PRESSAVG: 2619000 -4.97499 -67.9812 36.1925 -67.9812 3.68439 -4.21344 36.1924 -4.21353 -9.36955 GPRESSAVG: 2619000 -7.08329 -67.4234 38.231 -67.0205 4.81041 -2.69414 36.9517 -7.13784 -8.51141 TIMING: 2619000 CPU: 8278.66, 0.00317734/step Wall: 8278.66, 0.00317734/step, 2.10146 hours remaining, 237.332031 MB of memory in use. ENERGY: 2619000 3887.2328 20484.3970 14365.9740 240.5223 -203153.0270 2300.9600 0.0000 0.0000 52106.1496 -109767.7913 299.4548 -161873.9409 -109405.7905 298.3042 -107.1040 -76.5376 761465.8710 -3.5534 -3.5948 PRESSURE: 2619200 281.486 -172.752 178.802 -172.752 -347.512 -149.101 178.801 -149.101 -140.565 GPRESSURE: 2619200 321.629 -226.424 142.018 -57.5661 -275.086 -138.577 141.23 -85.0368 -168.647 PRESSAVG: 2619200 78.9135 -32.0834 1.59028 -32.0834 -84.3464 55.6298 1.5902 55.6297 23.7454 GPRESSAVG: 2619200 79.326 -33.1283 0.869208 -34.3763 -84.3433 54.2062 0.621845 59.0699 23.0731 TIMING: 2619200 CPU: 8279.29, 0.00316327/step Wall: 8279.29, 0.00316327/step, 2.09197 hours remaining, 237.332031 MB of memory in use. ENERGY: 2619200 3985.9651 20452.5381 14434.6107 261.9743 -203712.1906 2638.6104 0.0000 0.0000 51989.1972 -109949.2948 298.7826 -161938.4920 -109589.3371 298.8345 -68.8637 -40.7014 762566.7944 6.1042 6.0186 PRESSURE: 2619400 -37.459 7.55842 26.2313 7.55805 -55.6241 -229.311 26.231 -229.311 34.0453 GPRESSURE: 2619400 85.62 -57.8676 14.6001 7.15362 -6.253 -241.692 -64.7381 -224.267 -25.4114 PRESSAVG: 2619400 31.2695 -21.1454 9.83057 -21.1454 -65.8049 -2.99636 9.83058 -2.99642 -10.508 GPRESSAVG: 2619400 33.2584 -18.9981 7.78299 -19.209 -66.6291 -3.69484 10.243 -4.28038 -11.5324 TIMING: 2619400 CPU: 8279.92, 0.00315567/step Wall: 8279.92, 0.00315567/step, 2.08678 hours remaining, 237.332031 MB of memory in use. ENERGY: 2619400 4007.8985 20465.2380 14492.5233 233.4825 -203931.5948 2689.0962 0.0000 0.0000 52124.2537 -109919.1027 299.5588 -162043.3564 -109547.5995 298.5997 -19.6793 17.9852 761507.6200 -15.0145 -14.9677 PRESSURE: 2619600 -138.473 -128.708 -35.6794 -128.708 23.9419 -120.428 -35.6791 -120.43 -65.7365 GPRESSURE: 2619600 -143.814 -59.0194 56.1865 -252.085 23.4192 -124.566 -203.409 -137.066 13.899 PRESSAVG: 2619600 -6.01826 -48.9328 -16.5568 -48.9328 39.2896 -2.3439 -16.5568 -2.34392 -8.61177 GPRESSAVG: 2619600 -8.8633 -50.839 -14.0303 -47.0765 40.697 -2.27849 -20.3468 -2.78622 -7.00849 TIMING: 2619600 CPU: 8280.55, 0.00314868/step Wall: 8280.55, 0.00314868/step, 2.08197 hours remaining, 237.332031 MB of memory in use. ENERGY: 2619600 3968.9353 20585.7341 14499.5045 234.1947 -203247.0002 2395.1637 0.0000 0.0000 51826.6068 -109736.8611 297.8482 -161563.4679 -109375.4849 298.7493 -60.0892 -35.4986 762299.7049 8.2198 8.2751 PRESSURE: 2619800 -198.651 35.3557 318.728 35.3558 59.9892 251.522 318.728 251.522 -58.0728 GPRESSURE: 2619800 -96.6948 90.5064 298.234 -3.03725 146.93 304.423 337.112 251.893 -165.313 PRESSAVG: 2619800 -0.272465 -39.1628 -4.05152 -39.1628 -26.9792 -30.8537 -4.05158 -30.8537 26.6257 GPRESSAVG: 2619800 0.538264 -38.1482 -4.8426 -42.4436 -27.5391 -29.7414 -1.12409 -29.6105 26.0788 TIMING: 2619800 CPU: 8281.18, 0.00315515/step Wall: 8281.18, 0.00315515/step, 2.08608 hours remaining, 237.332031 MB of memory in use. ENERGY: 2619800 3960.7153 20576.8347 14457.8416 254.7388 -203617.2724 2758.6017 0.0000 0.0000 51845.6925 -109762.8479 297.9579 -161608.5405 -109400.4849 298.8221 -65.5782 -38.3591 764348.0355 -0.2086 -0.3074 PRESSURE: 2620000 25.1591 -135.538 151.894 -135.538 -37.6871 -82.8866 151.895 -82.8866 -454.782 GPRESSURE: 2620000 55.1869 -128.067 190.582 -85.6815 16.7315 -124.945 134.047 -84.603 -433.172 PRESSAVG: 2620000 -4.64691 -21.3689 -16.174 -21.3689 20.3042 -70.2257 -16.174 -70.2257 -27.7594 GPRESSAVG: 2620000 -4.15782 -22.7637 -15.9648 -18.4089 20.3943 -70.3231 -16.4382 -71.7147 -27.8733 TIMING: 2620000 CPU: 8281.81, 0.00315624/step Wall: 8281.81, 0.00315624/step, 2.08663 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2620000 3949.1981 20719.3136 14397.1905 243.0441 -203033.0180 2356.7187 0.0000 0.0000 51573.8353 -109793.7178 296.3955 -161367.5530 -109432.3761 298.2717 -155.7702 -120.4178 762669.0786 -4.0340 -3.8789 PRESSURE: 2620200 -57.2266 -11.8468 143.644 -11.8469 -9.25129 329.893 143.645 329.893 68.0912 GPRESSURE: 2620200 -2.90127 -57.4561 172.133 -102.61 32.9807 244.749 27.8968 261.582 50.098 PRESSAVG: 2620200 62.3658 -37.4803 39.2222 -37.4804 -55.7506 -24.3068 39.2222 -24.3067 20.8538 GPRESSAVG: 2620200 62.1373 -34.633 39.2007 -42.749 -55.9599 -24.7652 39.7305 -23.7417 21.0293 TIMING: 2620200 CPU: 8282.44, 0.00315712/step Wall: 8282.44, 0.00315712/step, 2.08703 hours remaining, 237.332031 MB of memory in use. ENERGY: 2620200 3943.3002 20595.0258 14429.7638 242.2183 -203599.5976 2542.8525 0.0000 0.0000 51822.5047 -110023.9323 297.8246 -161846.4369 -109665.9111 298.3854 0.5378 26.7258 760984.1765 9.1563 9.0689 LDB: ============= START OF LOAD BALANCING ============== 8294.84 LDB: ============== END OF LOAD BALANCING =============== 8294.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8294.85 LDB: ============= START OF LOAD BALANCING ============== 8295.16 LDB: Largest compute 7058 load 0.035055 is 17.9% of average load 0.195995 LDB: Average compute 0.004377 is 2.2% of average load 0.195995 LDB: TIME 8295.17 LOAD: AVG 0.195995 MAX 0.215197 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 8295.17 LOAD: AVG 0.195995 MAX 0.215197 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.977 MB LDB: TIME 8295.17 LOAD: AVG 0.195995 MAX 0.215197 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.977 MB LDB: ============== END OF LOAD BALANCING =============== 8295.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8295.17 PRESSURE: 2620400 -118.988 165.498 183.5 165.497 14.238 53.3448 183.499 53.3454 22.9705 GPRESSURE: 2620400 -58.9709 169.98 131.852 40.724 -5.6445 80.6019 92.9209 28.1515 59.8185 PRESSAVG: 2620400 52.6397 -20.1731 38.9176 -20.173 -17.9398 18.9238 38.9177 18.9238 0.267496 GPRESSAVG: 2620400 52.8692 -22.7023 40.7035 -17.3684 -18.2808 18.8827 36.4965 21.4746 0.568922 TIMING: 2620400 CPU: 8283.09, 0.00323678/step Wall: 8283.09, 0.00323678/step, 2.13951 hours remaining, 238.355469 MB of memory in use. ENERGY: 2620400 3987.7636 20344.7886 14497.8150 246.6268 -203321.3079 2305.7435 0.0000 0.0000 51860.2636 -110078.3068 298.0416 -161938.5704 -109700.8267 298.0200 -27.2598 -1.5990 760110.2300 11.6558 11.7191 PRESSURE: 2620600 -5.24187 -129.576 -234.745 -129.575 -271.204 9.3787 -234.745 9.37798 -170.255 GPRESSURE: 2620600 -87.4385 -82.5749 -266.243 -142.941 -85.9212 -64.724 -50.3577 73.6338 -198.999 PRESSAVG: 2620600 5.44369 27.7194 18.5952 27.7194 -10.0986 11.6083 18.5952 11.6083 18.9863 GPRESSAVG: 2620600 4.97129 29.0192 17.3807 26.4239 -8.77984 11.4803 20.656 9.19271 18.3975 TIMING: 2620600 CPU: 8283.73, 0.00318381/step Wall: 8283.73, 0.00318381/step, 2.10432 hours remaining, 238.558594 MB of memory in use. ENERGY: 2620600 4062.5187 20453.4284 14381.6761 246.5561 -203539.5366 2478.0953 0.0000 0.0000 51862.5651 -110054.6969 298.0549 -161917.2620 -109695.3231 297.7025 -148.9004 -124.1196 760226.0125 4.7772 4.8630 PRESSURE: 2620800 46.8221 -111.722 -43.2256 -111.722 185.055 55.3275 -43.2248 55.328 256.416 GPRESSURE: 2620800 201.472 -147.694 28.8839 -10.6091 113.512 66.4528 -120.195 -34.063 250.351 PRESSAVG: 2620800 89.9254 -26.1275 -31.0955 -26.1275 -81.6832 1.22627 -31.0955 1.22628 -14.8376 GPRESSAVG: 2620800 90.4706 -24.463 -31.895 -26.5327 -82.7195 1.38038 -31.2993 2.96828 -13.8119 TIMING: 2620800 CPU: 8284.36, 0.00316705/step Wall: 8284.36, 0.00316705/step, 2.09307 hours remaining, 238.558594 MB of memory in use. ENERGY: 2620800 3977.2955 20605.2758 14395.2024 239.7013 -203717.5860 2665.0178 0.0000 0.0000 51669.1901 -110165.9032 296.9435 -161835.0933 -109803.3594 297.7505 162.7645 188.4452 759932.4596 -2.1985 -2.0202 PRESSURE: 2621000 -263.229 75.6096 -46.4959 75.6099 -81.6556 -110.357 -46.4955 -110.358 -297.025 GPRESSURE: 2621000 -220.282 15.3359 -12.481 93.7463 -85.4964 -124.158 -50.458 -82.2459 -236.148 PRESSAVG: 2621000 19.5481 -2.32931 -19.8522 -2.32934 -7.53604 41.4768 -19.8522 41.4769 25.04 GPRESSAVG: 2621000 19.734 -4.93217 -20.7895 -1.51213 -7.71215 41.7553 -17.2495 40.2001 24.7245 TIMING: 2621000 CPU: 8284.99, 0.00315128/step Wall: 8284.99, 0.00315128/step, 2.08247 hours remaining, 238.558594 MB of memory in use. ENERGY: 2621000 3947.6949 20395.7912 14455.3688 264.6811 -203716.1912 2691.2389 0.0000 0.0000 51894.4905 -110066.9258 298.2384 -161961.4163 -109693.6299 297.7289 -213.9701 -180.6420 760434.0696 12.3507 12.2488 PRESSURE: 2621200 191.027 -132.5 72.1478 -132.5 99.4087 -64.6794 72.1479 -64.679 82.3721 GPRESSURE: 2621200 241.607 -226.36 60.8581 -102.215 180.067 25.3491 120.36 -71.6383 42.176 PRESSAVG: 2621200 69.265 -72.648 -10.1946 -72.648 -68.1575 -23.2015 -10.1945 -23.2015 -12.8469 GPRESSAVG: 2621200 69.4129 -72.354 -9.55101 -72.7059 -69.049 -22.2011 -13.4954 -24.0763 -12.2966 TIMING: 2621200 CPU: 8285.62, 0.00313665/step Wall: 8285.62, 0.00313665/step, 2.07263 hours remaining, 238.558594 MB of memory in use. ENERGY: 2621200 3977.2011 20429.4767 14398.4614 257.8118 -203697.0846 2670.4946 0.0000 0.0000 51760.2363 -110203.4026 297.4668 -161963.6389 -109844.5760 298.0017 124.2694 154.6167 758685.8425 -3.9131 -3.9776 PRESSURE: 2621400 -83.8054 -5.21043 -12.7727 -5.21099 61.3937 -134.299 -12.7723 -134.299 339.144 GPRESSURE: 2621400 -10.9786 -38.1597 -22.5005 -22.8071 125.599 -8.10885 -72.8986 -189.412 262.573 PRESSAVG: 2621400 11.5545 -49.3743 20.993 -49.3742 -47.4498 -7.4519 20.993 -7.45191 9.99321 GPRESSAVG: 2621400 12.8627 -46.541 22.5508 -49.9259 -46.6103 -8.16197 20.6216 -6.12338 7.9228 TIMING: 2621400 CPU: 8286.25, 0.00316789/step Wall: 8286.25, 0.00316789/step, 2.09309 hours remaining, 238.558594 MB of memory in use. ENERGY: 2621400 3973.6036 20481.5915 14398.5219 233.9861 -203657.0665 2691.6402 0.0000 0.0000 51687.4764 -110190.2468 297.0486 -161877.7232 -109836.6892 297.7396 105.5773 125.7311 758958.7004 -8.6340 -8.6083 PRESSURE: 2621600 -60.1616 161.9 -78.6771 161.901 -268.848 -75.8422 -78.6768 -75.8422 -393.966 GPRESSURE: 2621600 -36.7649 -0.44799 -68.9044 121.665 -270.419 -163.762 -131.92 -136.732 -322.501 PRESSAVG: 2621600 -26.0289 -6.81559 -15.975 -6.81564 38.3246 -33.3058 -15.9751 -33.3058 6.98297 GPRESSAVG: 2621600 -26.3653 -9.57004 -18.9231 -4.73406 37.3392 -32.5067 -14.877 -32.1875 7.90011 TIMING: 2621600 CPU: 8286.89, 0.00317889/step Wall: 8286.89, 0.00317889/step, 2.10019 hours remaining, 238.558594 MB of memory in use. ENERGY: 2621600 4036.6081 20338.5217 14418.5894 248.3951 -203565.9872 2346.9219 0.0000 0.0000 51968.7972 -110208.1539 298.6654 -162176.9511 -109850.1714 297.8163 -240.9917 -209.8950 758527.9403 6.4262 6.2913 PRESSURE: 2621800 -300.19 -114.192 18.7465 -114.192 -300.655 73.5154 18.7452 73.5168 69.3242 GPRESSURE: 2621800 -211.666 -118.626 -29.4797 -124.806 -333.644 140.907 -15.7857 -99.0746 90.2638 PRESSAVG: 2621800 -7.68632 -16.379 16.1359 -16.379 13.1719 -28.0873 16.1358 -28.0872 -12.0771 GPRESSAVG: 2621800 -9.80259 -17.7711 17.7903 -16.0388 15.1116 -29.6834 15.169 -27.8845 -11.7321 TIMING: 2621800 CPU: 8287.52, 0.00316316/step Wall: 8287.52, 0.00316316/step, 2.08962 hours remaining, 238.558594 MB of memory in use. ENERGY: 2621800 4045.4872 20442.3269 14458.0413 236.6244 -203721.8626 2702.0305 0.0000 0.0000 51919.7733 -109917.5789 298.3837 -161837.3522 -109558.7968 298.4660 -177.1738 -151.6821 761245.9041 -2.1972 -2.1410 PRESSURE: 2622000 -112.919 -204.987 -51.9203 -204.987 -293.886 -21.7631 -51.9199 -21.7632 -98.6405 GPRESSURE: 2622000 -117.362 -254.138 -65.5292 -40.6441 -237.99 14.3501 -38.6044 -69.4609 -64.0633 PRESSAVG: 2622000 44.5471 -64.3265 22.4288 -64.3264 -69.9051 -46.0643 22.4287 -46.0644 30.915 GPRESSAVG: 2622000 46.089 -60.9285 22.1076 -65.8151 -70.9725 -46.5848 23.6362 -46.0209 30.6668 TIMING: 2622000 CPU: 8288.15, 0.00316084/step Wall: 8288.15, 0.00316084/step, 2.08791 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2622000 3971.2275 20457.6718 14368.2064 229.1503 -203462.8988 2570.8995 0.0000 0.0000 51931.7151 -109934.0280 298.4523 -161865.7431 -109573.1998 298.3847 -168.4820 -139.8054 761724.4433 1.8523 1.9278 PRESSURE: 2622200 -136.861 -54.9931 69.9451 -54.9927 -52.5736 48.8418 69.9446 48.8414 -200.456 GPRESSURE: 2622200 -170.661 83.03 49.3713 -106.199 9.11981 -69.9662 132.426 -6.01978 -147.304 PRESSAVG: 2622200 34.4063 -25.6404 -22.1439 -25.6404 -59.4142 -5.08058 -22.144 -5.08059 3.50746 GPRESSAVG: 2622200 34.3262 -27.0262 -22.9779 -25.2564 -59.7291 -5.55866 -20.7309 -4.59667 4.47207 TIMING: 2622200 CPU: 8288.79, 0.0031609/step Wall: 8288.79, 0.0031609/step, 2.08778 hours remaining, 238.558594 MB of memory in use. ENERGY: 2622200 4031.8481 20366.8255 14401.4282 248.8483 -203437.4760 2521.5838 0.0000 0.0000 51969.9420 -109897.0000 298.6720 -161866.9420 -109538.4246 298.5659 -129.9636 -102.9483 759645.6816 -7.1668 -6.9769 PRESSURE: 2622400 163.194 -208.081 36.95 -208.08 128.377 251.142 36.9509 251.141 357.895 GPRESSURE: 2622400 184.628 -107.643 -3.77603 -188.174 121.378 210.666 -63.3778 142.539 424.349 PRESSAVG: 2622400 11.3357 -39.3824 9.41559 -39.3824 8.80008 -20.1202 9.41556 -20.1202 7.36437 GPRESSAVG: 2622400 10.659 -37.5229 11.3163 -41.2248 9.94967 -18.7768 7.60214 -21.8767 6.84463 TIMING: 2622400 CPU: 8289.42, 0.00317032/step Wall: 8289.42, 0.00317032/step, 2.09382 hours remaining, 238.558594 MB of memory in use. ENERGY: 2622400 4037.9219 20619.6576 14468.8968 251.9391 -203702.2309 2764.8276 0.0000 0.0000 51657.8793 -109901.1086 296.8785 -161558.9878 -109544.0386 298.5939 216.4886 243.4517 760776.1512 9.1667 9.1511 PRESSURE: 2622600 -52.9113 86.2535 -124.834 86.2529 303.881 178.029 -124.834 178.028 319.347 GPRESSURE: 2622600 -29.6314 166.261 -123.487 9.8 332.812 126.089 -133.488 198.208 360.05 PRESSAVG: 2622600 -32.9832 5.1112 18.7081 5.11117 60.048 33.0179 18.7082 33.0179 22.6141 GPRESSAVG: 2622600 -32.4932 4.28877 18.6171 6.65435 58.1033 31.264 18.8128 33.3114 24.2136 TIMING: 2622600 CPU: 8290.06, 0.00319345/step Wall: 8290.06, 0.00319345/step, 2.10892 hours remaining, 238.558594 MB of memory in use. ENERGY: 2622600 3912.6317 20449.1886 14430.7692 233.7475 -204119.5899 3092.8849 0.0000 0.0000 52006.1058 -109994.2621 298.8798 -162000.3679 -109636.6742 298.5852 190.1057 221.0771 761223.6547 16.5597 16.6079 PRESSURE: 2622800 12.6921 -194.37 193.452 -194.37 324.217 -36.0416 193.453 -36.0415 22.566 GPRESSURE: 2622800 128.464 -273.388 132.599 -304.005 236.167 -120.973 165.653 101.476 79.577 PRESSAVG: 2622800 -15.2451 -63.7829 -34.1239 -63.783 -12.4618 38.4251 -34.1239 38.4251 -15.7289 GPRESSAVG: 2622800 -14.7228 -66.1383 -35.6933 -65.1678 -11.6475 37.9769 -33.424 42.0702 -17.1365 TIMING: 2622800 CPU: 8290.69, 0.00316612/step Wall: 8290.69, 0.00316612/step, 2.09069 hours remaining, 238.558594 MB of memory in use. ENERGY: 2622800 3960.9133 20411.1077 14439.3925 244.6970 -203520.9020 2649.5692 0.0000 0.0000 52096.8227 -109718.3995 299.4012 -161815.2222 -109354.1842 298.7167 119.8251 148.0695 761464.4130 -14.4786 -14.5023 PRESSURE: 2623000 103.727 18.6322 28.4238 18.6323 -76.2645 211.252 28.4235 211.253 99.4987 GPRESSURE: 2623000 101.475 83.2741 47.7052 -43.6212 42.3116 249.093 -50.5848 107.585 90.6503 PRESSAVG: 2623000 63.1107 -28.7027 24.4189 -28.7027 -40.4908 63.8694 24.4189 63.8694 -24.2275 GPRESSAVG: 2623000 62.0187 -28.8411 25.4851 -25.486 -40.1033 65.8989 22.671 62.3336 -23.874 TIMING: 2623000 CPU: 8291.33, 0.00317679/step Wall: 8291.33, 0.00317679/step, 2.09757 hours remaining, 238.558594 MB of memory in use. ENERGY: 2623000 3959.3179 20384.2331 14503.7245 261.6883 -203920.3503 2832.4543 0.0000 0.0000 52034.6755 -109944.2564 299.0440 -161978.9320 -109565.3066 298.5318 42.3203 78.1458 760864.8252 -0.5359 -0.6529 PRESSURE: 2623200 273.361 55.7178 213.684 55.7186 -227.265 -403.735 213.684 -403.735 -321.487 GPRESSURE: 2623200 266.156 117.569 105.389 -63.7432 -167.48 -410.751 163.91 -371.508 -311.163 PRESSAVG: 2623200 -25.2842 -39.9225 6.29057 -39.9225 6.04194 -18.6622 6.29059 -18.6623 1.42406 GPRESSAVG: 2623200 -25.0573 -39.8028 6.97796 -42.0869 5.17936 -19.1714 6.67146 -19.7461 2.37799 TIMING: 2623200 CPU: 8291.97, 0.00320362/step Wall: 8291.97, 0.00320362/step, 2.1151 hours remaining, 238.558594 MB of memory in use. ENERGY: 2623200 4034.6778 20291.5889 14485.6471 235.7272 -202973.2946 2386.6836 0.0000 0.0000 51853.3032 -109685.6668 298.0016 -161538.9699 -109319.1260 299.0945 -91.7971 -70.8290 760235.2738 -5.9394 -5.8333 PRESSURE: 2623400 54.5543 -42.7047 -70.8951 -42.7039 -77.6118 -73.8108 -70.8945 -73.8098 -317.497 GPRESSURE: 2623400 89.7228 8.28987 -58.597 -197.702 -55.3362 -126.287 -0.928411 -138.681 -301.912 PRESSAVG: 2623400 -8.71042 -2.26107 -22.6776 -2.26111 -34.1376 41.9217 -22.6777 41.9216 -9.39722 GPRESSAVG: 2623400 -8.50001 0.307503 -23.1578 -4.24523 -33.1415 40.5686 -22.3743 42.3018 -10.758 TIMING: 2623400 CPU: 8292.61, 0.00321303/step Wall: 8292.61, 0.00321303/step, 2.12114 hours remaining, 238.558594 MB of memory in use. ENERGY: 2623400 3990.5882 20610.0098 14420.2640 245.6775 -203606.4031 2586.7444 0.0000 0.0000 52001.3580 -109751.7612 298.8525 -161753.1192 -109399.6198 298.7508 -113.5182 -89.1750 760960.5914 -17.4151 -17.4665 PRESSURE: 2623600 -127.344 15.1235 -52.1761 15.1244 156.715 -163.025 -52.1756 -163.025 -53.4148 GPRESSURE: 2623600 4.67018 -4.61612 -88.336 -78.2339 131.653 -194.577 33.9219 -110.954 -72.6792 PRESSAVG: 2623600 -0.926847 -6.73373 25.2003 -6.73363 -8.36198 34.1742 25.2004 34.1743 9.24706 GPRESSAVG: 2623600 -0.166349 -8.98488 24.6983 -5.27529 -10.0278 38.1737 23.544 33.1455 10.0129 TIMING: 2623600 CPU: 8293.25, 0.003187/step Wall: 8293.25, 0.003187/step, 2.10377 hours remaining, 238.558594 MB of memory in use. ENERGY: 2623600 4030.7504 20498.1876 14513.0505 252.9252 -203554.0995 2651.8824 0.0000 0.0000 52259.4644 -109347.8390 300.3359 -161607.3034 -108983.5443 299.4031 -8.0146 21.2146 760499.5481 -0.0139 -0.0604 PRESSURE: 2623800 -31.0261 168.854 58.362 168.854 -54.8864 229.754 58.3624 229.754 -82.1459 GPRESSURE: 2623800 -143.148 143.542 113.002 167.928 31.8535 175.529 56.9487 275.335 43.0246 PRESSAVG: 2623800 -15.3802 -22.3821 -50.8196 -22.3822 18.7534 65.6425 -50.8196 65.6425 1.8719 GPRESSAVG: 2623800 -15.9005 -21.1353 -49.5614 -22.4953 19.4049 61.6045 -49.7082 68.4904 1.49382 TIMING: 2623800 CPU: 8293.89, 0.00319073/step Wall: 8293.89, 0.00319073/step, 2.10606 hours remaining, 238.558594 MB of memory in use. ENERGY: 2623800 3966.9998 20514.8842 14487.9812 271.1689 -203063.0780 2489.4791 0.0000 0.0000 52029.3473 -109303.2175 299.0134 -161332.5648 -108956.0830 299.5185 -56.0195 -22.7565 760909.4686 1.7484 1.6661 PRESSURE: 2624000 -342.446 -11.3351 320.052 -11.3348 -284.272 -205.87 320.052 -205.869 -590.578 GPRESSURE: 2624000 -337.513 2.91149 345.076 -32.5886 -187.016 -190.753 240.031 -304.87 -581.691 PRESSAVG: 2624000 -21.602 7.10587 11.3365 7.10583 -27.0587 6.23163 11.3365 6.23172 -3.37703 GPRESSAVG: 2624000 -20.8785 6.13085 10.1691 7.36281 -26.6516 7.93778 11.9061 7.77523 -4.32162 TIMING: 2624000 CPU: 8294.52, 0.00318614/step Wall: 8294.52, 0.00318614/step, 2.10285 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2624000 4052.8800 20499.2594 14503.1676 247.5796 -203150.0538 2501.7421 0.0000 0.0000 52061.9720 -109283.4532 299.2009 -161345.4251 -108932.7888 299.7078 -405.7653 -368.7401 763074.7771 -17.3459 -17.2839 PRESSURE: 2624200 89.1212 -65.0456 -134.859 -65.0456 -12.7024 -4.78191 -134.859 -4.78293 -51.0501 GPRESSURE: 2624200 76.9175 2.15982 -135.021 -65.3514 121.648 -11.3726 -300.557 -48.2719 -91.1336 PRESSAVG: 2624200 -3.21034 -17.9472 12.2101 -17.9471 5.6949 0.904903 12.2101 0.904906 -6.39774 GPRESSAVG: 2624200 -3.85744 -18.0788 12.5448 -16.3946 6.7735 0.561327 10.2921 -1.66082 -6.95499 TIMING: 2624200 CPU: 8295.16, 0.00316842/step Wall: 8295.16, 0.00316842/step, 2.09098 hours remaining, 238.558594 MB of memory in use. ENERGY: 2624200 3998.5466 20668.0184 14471.6805 236.7102 -202895.5002 2310.4915 0.0000 0.0000 52137.0535 -109072.9994 299.6324 -161210.0529 -108718.3050 300.0651 8.4562 35.8105 759550.0737 -1.3044 -1.3463 LDB: ============= START OF LOAD BALANCING ============== 8307.56 LDB: ============== END OF LOAD BALANCING =============== 8307.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8307.56 LDB: ============= START OF LOAD BALANCING ============== 8307.87 LDB: Largest compute 7058 load 0.035799 is 18.3% of average load 0.196063 LDB: Average compute 0.004377 is 2.2% of average load 0.196063 LDB: TIME 8307.88 LOAD: AVG 0.196063 MAX 0.216539 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 8307.88 LOAD: AVG 0.196063 MAX 0.216539 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.586 MB LDB: TIME 8307.88 LOAD: AVG 0.196063 MAX 0.216539 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.586 MB LDB: ============== END OF LOAD BALANCING =============== 8307.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8307.89 PRESSURE: 2624400 -170.114 4.81815 111.645 4.81799 -64.0585 -7.66355 111.645 -7.66384 -135.252 GPRESSURE: 2624400 -111.801 -117.684 146.26 -44.0687 -54.4924 10.0016 129.015 -38.8986 -109.281 PRESSAVG: 2624400 -7.81557 -34.5124 -52.0101 -34.5123 6.35424 -44.8066 -52.0101 -44.8066 16.7405 GPRESSAVG: 2624400 -7.12121 -32.5511 -52.9858 -36.9187 5.98538 -44.7245 -50.5608 -44.6823 16.6964 TIMING: 2624400 CPU: 8295.8, 0.00322927/step Wall: 8295.8, 0.00322927/step, 2.13096 hours remaining, 238.355469 MB of memory in use. ENERGY: 2624400 4000.4578 20463.4157 14417.8003 265.6217 -203183.9419 2588.8460 0.0000 0.0000 52185.6856 -109262.1149 299.9119 -161447.8005 -108898.3256 300.0196 -123.1415 -91.8579 760428.1730 5.0931 5.1868 PRESSURE: 2624600 -105.573 56.579 -142.146 56.5801 -259.957 40.3503 -142.146 40.3491 -59.0825 GPRESSURE: 2624600 -39.8513 33.4283 -112.038 20.6272 -194.474 5.24758 -224.252 -11.9661 -89.4559 PRESSAVG: 2624600 84.021 -71.4034 -15.0654 -71.4034 -62.5201 17.2815 -15.0654 17.2815 9.85365 GPRESSAVG: 2624600 83.2092 -70.9852 -13.7821 -73.3586 -61.8163 18.5702 -11.9467 15.3819 10.2294 TIMING: 2624600 CPU: 8296.44, 0.00316281/step Wall: 8296.44, 0.00316281/step, 2.08693 hours remaining, 238.558594 MB of memory in use. ENERGY: 2624600 4009.1309 20473.6607 14485.5802 230.6160 -203188.2167 2393.4171 0.0000 0.0000 52107.8558 -109487.9559 299.4646 -161595.8117 -109126.8591 299.8266 -141.5377 -107.9269 760933.8544 10.4515 10.5408 PRESSURE: 2624800 -516.27 -124.481 60.9935 -124.481 -292.235 -23.9158 60.9939 -23.9158 -246.32 GPRESSURE: 2624800 -582.539 -144.465 17.3573 -88.2733 -153.289 -1.37408 -13.7402 142.358 -217.317 PRESSAVG: 2624800 58.4519 -1.48986 -21.9449 -1.4899 -48.5668 6.32955 -21.9449 6.32951 -6.85397 GPRESSAVG: 2624800 58.7697 -5.53158 -22.4247 1.87004 -49.3395 6.0252 -25.5403 7.44848 -5.9966 TIMING: 2624800 CPU: 8297.07, 0.00314958/step Wall: 8297.07, 0.00314958/step, 2.07802 hours remaining, 238.558594 MB of memory in use. ENERGY: 2624800 3986.4281 20536.6745 14537.9434 237.3492 -203144.2496 2456.6742 0.0000 0.0000 52060.2559 -109328.9243 299.1910 -161389.1802 -108967.5970 299.7179 -351.6083 -317.7150 761197.0721 1.0104 1.1445 PRESSURE: 2625000 292.11 118.096 258.159 118.096 200.856 9.64766 258.158 9.64664 -106.277 GPRESSURE: 2625000 307.402 185.607 246.139 -5.26477 257.934 -82.3754 335.845 103.526 -103.235 PRESSAVG: 2625000 16.6085 -27.4579 0.50217 -27.4579 5.07462 -2.9503 0.502136 -2.95027 11.805 GPRESSAVG: 2625000 16.6199 -27.3903 0.845856 -28.5422 4.45604 -3.90149 0.264909 -3.056 12.2178 TIMING: 2625000 CPU: 8297.7, 0.00317818/step Wall: 8297.7, 0.00317818/step, 2.09672 hours remaining, 238.558594 MB of memory in use. ENERGY: 2625000 3920.9492 20626.5665 14497.0954 245.6305 -203042.0243 2348.3365 0.0000 0.0000 52018.6835 -109384.7626 298.9521 -161403.4461 -109031.0808 299.8354 128.8963 154.0336 760200.3069 11.1627 11.0979 PRESSURE: 2625200 208.818 115.209 184.525 115.209 100.9 -355.749 184.525 -355.747 46.6389 GPRESSURE: 2625200 203.502 109.003 150.22 180.328 131.612 -297.949 43.6592 -275.638 101.652 PRESSAVG: 2625200 60.4757 -10.6036 -0.358962 -10.6035 -28.8433 -12.1343 -0.358957 -12.1343 -8.38393 GPRESSAVG: 2625200 59.4118 -8.34145 -1.17568 -11.8698 -27.2335 -11.7843 0.562153 -11.4229 -8.23027 TIMING: 2625200 CPU: 8298.33, 0.00314189/step Wall: 8298.33, 0.00314189/step, 2.0726 hours remaining, 238.558594 MB of memory in use. ENERGY: 2625200 3968.4661 20510.3966 14461.5386 239.8740 -203364.5779 2536.7519 0.0000 0.0000 52148.7711 -109498.7795 299.6997 -161647.5506 -109136.3067 299.7348 118.7853 145.5887 759705.9408 7.7495 7.9827 PRESSURE: 2625400 -15.5657 136.54 -20.9042 136.54 44.5887 91.0735 -20.9052 91.0737 -46.7086 GPRESSURE: 2625400 58.2216 83.0545 -107.759 167.153 -46.2008 76.1105 12.1375 33.1609 42.1839 PRESSAVG: 2625400 46.8204 19.4666 -26.3058 19.4666 -29.8799 -61.2784 -26.3059 -61.2784 12.7489 GPRESSAVG: 2625400 48.0323 19.3954 -26.5897 20.5464 -31.8833 -61.6444 -27.4422 -59.9643 12.9108 TIMING: 2625400 CPU: 8298.96, 0.00316075/step Wall: 8298.96, 0.00316075/step, 2.08487 hours remaining, 238.558594 MB of memory in use. ENERGY: 2625400 3990.7797 20348.0391 14565.8304 237.6551 -203554.2405 2732.7071 0.0000 0.0000 52056.4553 -109622.7738 299.1692 -161679.2291 -109274.3255 299.7188 -5.8952 18.0682 762249.8019 9.8965 9.6866 PRESSURE: 2625600 61.752 -65.8031 146.107 -65.8029 69.9096 -99.374 146.108 -99.3737 -92.9641 GPRESSURE: 2625600 138.431 -66.637 121.146 -9.18794 49.6418 -128.168 162.814 -18.8081 -53.8232 PRESSAVG: 2625600 20.1858 -68.4944 2.78163 -68.4944 13.9319 -3.81253 2.78163 -3.81251 -12.4964 GPRESSAVG: 2625600 19.5822 -68.5412 2.60663 -69.2622 13.6169 -2.73476 3.14792 -5.28074 -11.2 TIMING: 2625600 CPU: 8299.59, 0.00315714/step Wall: 8299.59, 0.00315714/step, 2.08231 hours remaining, 238.558594 MB of memory in use. ENERGY: 2625600 3938.2275 20507.7262 14501.4027 251.2943 -203382.9992 2475.3564 0.0000 0.0000 52150.2775 -109558.7146 299.7084 -161708.9921 -109195.2524 299.3690 12.8991 44.7497 759905.0756 7.2071 7.3330 PRESSURE: 2625800 472.521 4.42702 163.555 4.42726 -33.7593 -134.87 163.554 -134.871 390.86 GPRESSURE: 2625800 456.398 -22.416 172.784 -21.8283 49.8306 -189.577 86.3809 -97.6251 403.804 PRESSAVG: 2625800 -20.8053 -28.7785 18.2017 -28.7785 48.4323 16.0663 18.2017 16.0662 0.240422 GPRESSAVG: 2625800 -19.26 -28.5544 19.9092 -28.2427 49.254 14.3705 18.5362 16.8685 -1.9508 TIMING: 2625800 CPU: 8300.23, 0.00319493/step Wall: 8300.23, 0.00319493/step, 2.10706 hours remaining, 238.558594 MB of memory in use. ENERGY: 2625800 4018.7080 20453.9358 14577.1401 264.9409 -204038.3823 3165.3099 0.0000 0.0000 52105.8685 -109452.4791 299.4531 -161558.3475 -109095.3005 299.8026 276.5406 303.3442 761739.1853 9.2892 9.3477 PRESSURE: 2626000 23.1388 -72.5961 25.9662 -72.5961 -351.93 -63.0149 25.9658 -63.0156 -80.7827 GPRESSURE: 2626000 17.5871 65.2422 148.324 -9.03204 -247.741 -84.8613 56.6952 -134.334 -101 PRESSAVG: 2626000 40.1956 -36.8261 -6.01821 -36.8261 -31.2796 60.6843 -6.01831 60.6843 -1.94099 GPRESSAVG: 2626000 38.6274 -39.4506 -7.40117 -35.1246 -31.0493 62.5973 -4.30209 60.6692 -0.739972 TIMING: 2626000 CPU: 8300.87, 0.00319415/step Wall: 8300.87, 0.00319415/step, 2.10636 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2626000 4052.8343 20522.0222 14630.2728 237.4118 -203244.3062 2276.7106 0.0000 0.0000 52173.7357 -109351.3187 299.8432 -161525.0544 -108988.8987 299.3801 -136.5246 -110.3846 760895.0858 2.3250 2.2794 PRESSURE: 2626200 -130.648 84.312 162.085 84.3121 16.2753 -159.44 162.086 -159.438 -294.047 GPRESSURE: 2626200 -140.555 164.461 91.2487 120.883 61.2749 -61.5429 155.532 -163.874 -231.973 PRESSAVG: 2626200 36.0504 -17.4887 -11.0292 -17.4885 -24.8415 8.58964 -11.0291 8.58968 -16.893 GPRESSAVG: 2626200 35.9027 -15.3293 -10.001 -18.0046 -25.4141 7.79864 -13.0352 9.45901 -16.2938 TIMING: 2626200 CPU: 8301.51, 0.00321635/step Wall: 8301.51, 0.00321635/step, 2.12083 hours remaining, 238.558594 MB of memory in use. ENERGY: 2626200 3995.5942 20653.3237 14508.5327 241.5166 -203176.2200 2335.9074 0.0000 0.0000 51981.5055 -109459.8399 298.7384 -161441.3455 -109107.4416 299.3810 -136.1397 -103.7511 761958.0373 -1.8947 -1.9351 PRESSURE: 2626400 -247.344 -222.938 -51.47 -222.938 -68.5512 -49.0933 -51.4695 -49.0933 48.271 GPRESSURE: 2626400 -179.006 -263.883 6.87509 -260.945 -39.0843 -120.758 -16.0828 -66.1188 31.1407 PRESSAVG: 2626400 61.4289 -7.15628 -28.2361 -7.15621 -70.0685 -1.81881 -28.2361 -1.81882 12.0767 GPRESSAVG: 2626400 62.9251 -5.73819 -28.4014 -10.0462 -69.4788 -1.25635 -28.4735 -3.91505 9.90344 TIMING: 2626400 CPU: 8302.15, 0.00318387/step Wall: 8302.15, 0.00318387/step, 2.09923 hours remaining, 238.558594 MB of memory in use. ENERGY: 2626400 4040.3246 20360.3182 14494.5093 256.1995 -203216.9195 2322.4282 0.0000 0.0000 52153.4441 -109589.6956 299.7266 -161743.1397 -109223.9102 299.0188 -89.2081 -62.3166 761411.1142 1.1457 1.1166 PRESSURE: 2626600 -440.012 125.632 -36.3749 125.633 -88.1054 118.504 -36.3739 118.504 -444.506 GPRESSURE: 2626600 -343.199 112.343 -100.793 14.7121 -143.756 163.406 -25.2822 48.334 -419.762 PRESSAVG: 2626600 64.2026 -18.1572 -10.2704 -18.1571 -51.2231 20.0597 -10.2704 20.0597 9.0512 GPRESSAVG: 2626600 62.8042 -20.3108 -12.1903 -15.0794 -51.9479 21.3664 -8.26023 20.1965 10.2926 TIMING: 2626600 CPU: 8302.79, 0.0031866/step Wall: 8302.79, 0.0031866/step, 2.10085 hours remaining, 238.558594 MB of memory in use. ENERGY: 2626600 3996.6721 20391.9503 14460.4603 257.5767 -203216.8114 2366.9600 0.0000 0.0000 52118.4283 -109624.7637 299.5253 -161743.1920 -109271.6200 299.2304 -324.2077 -302.2388 761894.1840 7.3436 7.0496 PRESSURE: 2626800 -142.842 -60.4741 -337.671 -60.474 -97.7253 -210.254 -337.671 -210.254 52.2925 GPRESSURE: 2626800 -74.8551 -55.93 -288.18 -12.7982 -156.424 -296.294 -306.662 -122.009 116.755 PRESSAVG: 2626800 51.7483 12.3027 -41.4287 12.3027 -51.5195 23.71 -41.4287 23.7101 7.39959 GPRESSAVG: 2626800 51.9864 12.6243 -41.1748 11.1261 -53.1676 21.9275 -41.896 23.3812 8.76675 TIMING: 2626800 CPU: 8303.43, 0.00318755/step Wall: 8303.43, 0.00318755/step, 2.10131 hours remaining, 238.558594 MB of memory in use. ENERGY: 2626800 3948.8851 20464.6962 14517.0061 242.4754 -202988.1011 2309.0902 0.0000 0.0000 51844.2174 -109661.7307 297.9494 -161505.9481 -109300.7618 299.0154 -62.7582 -38.1746 761712.8756 2.5428 2.5285 PRESSURE: 2627000 264.106 151.301 147.335 151.3 100.919 102.34 147.335 102.341 91.6387 GPRESSURE: 2627000 306.577 120.827 158.618 116.068 80.092 84.3433 227.245 86.2177 153.704 PRESSAVG: 2627000 65.8718 -36.043 -60.0619 -36.043 -40.3516 13.6463 -60.0618 13.6463 -10.3572 GPRESSAVG: 2627000 65.3135 -36.929 -59.9082 -36.1257 -39.8432 15.3945 -60.9649 13.9733 -10.3353 TIMING: 2627000 CPU: 8304.06, 0.00317693/step Wall: 8304.06, 0.00317693/step, 2.09413 hours remaining, 238.558594 MB of memory in use. ENERGY: 2627000 3977.9635 20640.9249 14454.9460 242.3045 -203616.5493 2624.1687 0.0000 0.0000 52002.7655 -109673.4761 298.8606 -161676.2416 -109316.9451 298.9345 152.2213 180.1241 760230.7459 5.0543 5.0450 PRESSURE: 2627200 -1.36929 98.8701 61.2004 98.8702 -169.674 -32.3118 61.2012 -32.3118 -311.706 GPRESSURE: 2627200 -21.1313 85.9667 165.571 106.932 -146.372 -57.6475 -6.81312 -133.259 -225.81 PRESSAVG: 2627200 14.7017 -5.72935 -4.3332 -5.72937 34.6932 3.15935 -4.33324 3.15931 1.10387 GPRESSAVG: 2627200 14.7586 -4.27412 -1.86319 -3.99838 34.4783 1.43354 -4.32347 5.0986 0.875221 TIMING: 2627200 CPU: 8304.69, 0.00316545/step Wall: 8304.69, 0.00316545/step, 2.08638 hours remaining, 238.558594 MB of memory in use. ENERGY: 2627200 4043.3655 20606.5582 14532.5766 248.0490 -203612.5028 2491.0526 0.0000 0.0000 52203.7981 -109487.1028 300.0159 -161690.9009 -109131.3139 299.1983 -160.9167 -131.1046 761684.1411 16.8329 16.7040 PRESSURE: 2627400 240.296 71.854 190.487 71.8542 6.63857 499.298 190.486 499.298 -95.2967 GPRESSURE: 2627400 222.371 -16.8366 251.116 58.0399 54.5232 550.626 129.976 432.336 -12.1653 PRESSAVG: 2627400 40.4493 7.74397 49.5159 7.74398 -38.3583 14.6383 49.5159 14.6383 16.3089 GPRESSAVG: 2627400 40.8346 5.92775 49.0632 6.92472 -37.5586 16.2491 48.8885 14.2415 15.5559 TIMING: 2627400 CPU: 8305.33, 0.00316915/step Wall: 8305.33, 0.00316915/step, 2.08864 hours remaining, 238.558594 MB of memory in use. ENERGY: 2627400 4043.3105 20650.9256 14498.3003 253.2707 -203704.7442 2734.8086 0.0000 0.0000 51846.8450 -109677.2835 297.9645 -161524.1285 -109328.5431 299.5006 50.5460 88.2428 759054.2295 6.1333 6.2773 PRESSURE: 2627600 -348.166 5.96888 -83.8391 5.96831 113.281 182.7 -83.8401 182.699 -61.3072 GPRESSURE: 2627600 -238.54 103.576 -229.229 9.5091 78.8892 180.089 9.77852 223.622 -51.6461 PRESSAVG: 2627600 48.2042 -27.7916 -27.0542 -27.7916 -50.8314 49.2557 -27.0542 49.2557 -20.169 GPRESSAVG: 2627600 49.232 -24.6722 -28.3538 -27.3145 -51.6509 48.3255 -25.5952 48.4197 -20.3029 TIMING: 2627600 CPU: 8305.96, 0.00317369/step Wall: 8305.96, 0.00317369/step, 2.09146 hours remaining, 238.558594 MB of memory in use. ENERGY: 2627600 4013.1688 20599.6400 14515.6282 231.6047 -203483.7897 2579.9606 0.0000 0.0000 52043.0814 -109500.7059 299.0923 -161543.7873 -109146.3124 299.2215 -98.7308 -70.4324 759960.3163 -7.5987 -7.5739 PRESSURE: 2627800 168.825 132 155.237 132 -328.532 -2.15735 155.237 -2.15797 6.05987 GPRESSURE: 2627800 150.885 137.788 207.518 157.474 -325.553 -116.465 129.806 30.0049 111.216 PRESSAVG: 2627800 29.9889 -7.29621 -21.4592 -7.29621 -25.5358 29.968 -21.4592 29.9679 12.5265 GPRESSAVG: 2627800 28.9281 -10.5672 -21.4555 -8.89706 -25.4062 29.2683 -21.9269 31.1019 12.8325 TIMING: 2627800 CPU: 8306.6, 0.0031881/step Wall: 8306.6, 0.0031881/step, 2.10078 hours remaining, 238.558594 MB of memory in use. ENERGY: 2627800 3917.8331 20469.5656 14541.5238 247.1166 -203621.1752 2406.0264 0.0000 0.0000 52434.4415 -109604.6683 301.3415 -162039.1097 -109235.1041 299.3753 -51.2157 -21.1507 759754.5928 5.6599 5.4515 PRESSURE: 2628000 -142.905 -254.989 -14.5036 -254.989 -188.725 -27.2304 -14.5027 -27.2308 128.747 GPRESSURE: 2628000 -125.878 -263.699 -44.9678 -92.3725 -61.2512 -36.8669 -6.90018 -5.01487 62.4624 PRESSAVG: 2628000 25.6877 -16.0321 41.0724 -16.0321 32.1523 34.1823 41.0725 34.1822 18.5606 GPRESSAVG: 2628000 26.2675 -14.2608 41.9166 -15.2773 32.6048 34.387 40.185 32.4853 17.9278 TIMING: 2628000 CPU: 8307.24, 0.00317699/step Wall: 8307.24, 0.00317699/step, 2.09328 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2628000 4003.7601 20462.7035 14618.5943 249.6490 -203056.6530 2107.9405 0.0000 0.0000 52145.0314 -109468.9743 299.6782 -161614.0056 -109100.6900 299.3188 -67.6280 -41.5554 759086.3455 25.4669 25.6000 PRESSURE: 2628200 -419.47 -16.8937 -320.849 -16.8926 -68.866 177.885 -320.849 177.885 -400.907 GPRESSURE: 2628200 -329.591 21.5005 -315.316 -50.0489 -113.984 119.192 -236.312 217.261 -371.632 PRESSAVG: 2628200 -14.755 -12.061 -46.7997 -12.061 25.4735 -19.5388 -46.7997 -19.5387 -3.69917 GPRESSAVG: 2628200 -14.5152 -12.1381 -48.2095 -10.825 25.3835 -18.9848 -46.2865 -18.6081 -4.13973 TIMING: 2628200 CPU: 8307.87, 0.00317499/step Wall: 8307.87, 0.00317499/step, 2.09179 hours remaining, 238.558594 MB of memory in use. ENERGY: 2628200 3981.7398 20518.1962 14594.9066 246.7606 -203140.1954 2140.1405 0.0000 0.0000 52227.5337 -109430.9180 300.1524 -161658.4517 -109059.3294 299.6755 -296.4146 -271.7357 759137.7036 2.3398 2.2429 LDB: ============= START OF LOAD BALANCING ============== 8320.27 LDB: ============== END OF LOAD BALANCING =============== 8320.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8320.27 LDB: ============= START OF LOAD BALANCING ============== 8320.59 LDB: Largest compute 7058 load 0.036160 is 18.4% of average load 0.196054 LDB: Average compute 0.004364 is 2.2% of average load 0.196054 LDB: TIME 8320.6 LOAD: AVG 0.196054 MAX 0.216084 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 8320.6 LOAD: AVG 0.196054 MAX 0.216084 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 8320.6 LOAD: AVG 0.196054 MAX 0.216084 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 8320.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8320.6 PRESSURE: 2628400 -48.7998 -226.372 -169.574 -226.372 140.38 -44.641 -169.574 -44.6417 -21.7507 GPRESSURE: 2628400 -27.4788 -183.741 -211.916 -182.945 100.32 46.8846 -156.24 -76.4505 86.3758 PRESSAVG: 2628400 -50.0128 -35.9287 49.6946 -35.9287 11.2929 -13.7027 49.6945 -13.7028 0.114838 GPRESSAVG: 2628400 -50.5802 -33.7552 49.8029 -38.7358 10.5765 -13.2062 51.836 -13.8665 1.87255 TIMING: 2628400 CPU: 8308.52, 0.00325359/step Wall: 8308.52, 0.00325359/step, 2.14339 hours remaining, 237.843750 MB of memory in use. ENERGY: 2628400 4011.6253 20438.1430 14577.2247 252.2794 -203281.3028 2527.4048 0.0000 0.0000 52099.8890 -109374.7367 299.4188 -161474.6257 -109012.5811 299.6852 23.2765 53.0722 758532.5850 -12.8683 -12.7104 PRESSURE: 2628600 -166.327 -58.3407 -79.4206 -58.3408 -461.311 91.0888 -79.4204 91.0892 237.787 GPRESSURE: 2628600 -214.556 -28.371 -21.6779 -117.429 -369.613 112.407 -205.065 52.588 248 PRESSAVG: 2628600 -52.7679 12.6811 -62.1961 12.6812 38.4345 28.3002 -62.196 28.3002 3.19215 GPRESSAVG: 2628600 -51.5292 9.96429 -59.6326 13.3586 38.4668 27.7688 -65.2064 29.5423 1.76269 TIMING: 2628600 CPU: 8309.16, 0.00321648/step Wall: 8309.16, 0.00321648/step, 2.11877 hours remaining, 237.843750 MB of memory in use. ENERGY: 2628600 4073.4134 20618.4782 14544.2435 257.1785 -203314.9304 2409.5688 0.0000 0.0000 52061.1377 -109350.9103 299.1961 -161412.0480 -108989.2373 299.7509 -129.9501 -112.0563 760040.7657 -3.7137 -3.7666 PRESSURE: 2628800 -173.651 88.1396 357.726 88.1382 12.3368 1.01685 357.726 1.01725 -126.271 GPRESSURE: 2628800 -159.753 11.4866 354.729 72.5421 57.6152 83.1137 253.935 -63.5962 -78.536 PRESSAVG: 2628800 -43.2335 -3.4022 4.70946 -3.40228 25.8497 6.74537 4.70947 6.74544 14.2012 GPRESSAVG: 2628800 -43.6306 -0.97059 2.40165 -3.84898 26.1388 7.27261 5.23967 6.86765 14.7228 TIMING: 2628800 CPU: 8309.8, 0.00318534/step Wall: 8309.8, 0.00318534/step, 2.09808 hours remaining, 237.843750 MB of memory in use. ENERGY: 2628800 4003.8640 20447.5117 14497.4969 250.1778 -203338.7178 2367.9529 0.0000 0.0000 52151.8786 -109619.8359 299.7176 -161771.7145 -109249.2053 299.4142 -95.8615 -60.2246 759150.3856 -1.0609 -0.9230 PRESSURE: 2629000 -3.16869 235.178 37.0103 235.178 -92.4395 -124.954 37.0108 -124.954 -83.7308 GPRESSURE: 2629000 59.8144 118.012 -14.1971 269.146 -55.2936 -141.961 10.5709 -44.856 -78.8719 PRESSAVG: 2629000 0.855297 23.4265 -19.6959 23.4265 16.9604 -17.7236 -19.6959 -17.7237 -8.30552 GPRESSAVG: 2629000 0.0416359 22.4361 -19.7557 24.8984 17.4292 -18.4736 -16.7344 -18.1582 -7.71844 TIMING: 2629000 CPU: 8310.44, 0.00317336/step Wall: 8310.44, 0.00317336/step, 2.09001 hours remaining, 237.843750 MB of memory in use. ENERGY: 2629000 4002.3735 20563.8688 14481.5893 250.3478 -203523.6958 2450.1867 0.0000 0.0000 52057.7926 -109717.5370 299.1768 -161775.3296 -109347.7333 299.7092 -59.7797 -24.7837 759053.8220 3.1701 3.2508 PRESSURE: 2629200 -189.265 -82.3958 160.369 -82.3957 -112.043 -11.5994 160.369 -11.5993 -336.289 GPRESSURE: 2629200 -132.291 -164.688 257.157 -23.3246 -147.293 33.8768 141.324 -131.716 -289.746 PRESSAVG: 2629200 55.5304 19.9454 6.88829 19.9454 -36.7329 -24.862 6.88831 -24.862 -11.675 GPRESSAVG: 2629200 55.2196 19.5896 6.78105 18.4103 -37.5921 -23.9132 4.05469 -24.5927 -11.0918 TIMING: 2629200 CPU: 8311.07, 0.00319091/step Wall: 8311.07, 0.00319091/step, 2.10139 hours remaining, 237.843750 MB of memory in use. ENERGY: 2629200 3910.7175 20554.4033 14531.9765 250.5784 -203761.3677 2562.9974 0.0000 0.0000 52098.2527 -109852.4420 299.4094 -161950.6947 -109480.7265 299.0045 -212.5325 -189.7767 759745.4847 2.3741 2.1786 PRESSURE: 2629400 81.6504 71.0675 -194.53 71.0675 181.645 -242.307 -194.53 -242.307 130.033 GPRESSURE: 2629400 209.72 18.3175 -275.14 123.397 118.153 -153.662 -87.8254 -186.501 155.162 PRESSAVG: 2629400 27.7985 -27.2307 48.4724 -27.2308 -77.0949 -78.8968 48.4723 -78.8967 10.3655 GPRESSAVG: 2629400 29.4784 -26.9389 47.3302 -26.2414 -76.6036 -79.2321 49.796 -79.8989 8.42372 TIMING: 2629400 CPU: 8311.71, 0.003187/step Wall: 8311.71, 0.003187/step, 2.09864 hours remaining, 237.843750 MB of memory in use. ENERGY: 2629400 3994.4984 20478.2649 14520.9987 246.8884 -203712.6224 2578.0301 0.0000 0.0000 52192.7990 -109701.1429 299.9527 -161893.9419 -109337.3870 299.0819 131.1093 161.0115 758682.9458 -12.9769 -12.9005 PRESSURE: 2629600 125.497 -77.6098 139.432 -77.6105 -100.174 87.3885 139.432 87.3877 -232.947 GPRESSURE: 2629600 124.478 33.3056 114.329 -239.061 -108.117 124.102 146.812 41.9716 -152.601 PRESSAVG: 2629600 10.4623 -44.4709 -11.1755 -44.4709 -35.7447 1.65393 -11.1755 1.65395 12.6976 GPRESSAVG: 2629600 10.013 -43.9071 -8.58257 -46.1562 -35.4065 1.34096 -13.9117 2.47987 13.4386 TIMING: 2629600 CPU: 8312.35, 0.00320666/step Wall: 8312.35, 0.00320666/step, 2.1114 hours remaining, 237.843750 MB of memory in use. ENERGY: 2629600 3934.6916 20293.3105 14480.5180 233.8388 -203298.9405 2317.0630 0.0000 0.0000 52289.7411 -109749.7775 300.5099 -162039.5186 -109383.1459 299.0197 -69.2078 -45.4135 759089.5197 -4.1950 -3.9850 PRESSURE: 2629800 204.603 -87.0088 -108.342 -87.0087 329.019 -112.901 -108.343 -112.901 69.4587 GPRESSURE: 2629800 260.741 -17.3016 -65.2726 -93.2274 316.951 -82.5801 -21.8197 -158.07 97.0556 PRESSAVG: 2629800 7.95586 -14.5521 -18.9282 -14.5521 21.3826 -24.8527 -18.9282 -24.8527 -6.54988 GPRESSAVG: 2629800 6.71475 -15.3678 -21.0265 -14.0593 22.2373 -23.664 -14.991 -25.3325 -6.53564 TIMING: 2629800 CPU: 8312.99, 0.00317216/step Wall: 8312.99, 0.00317215/step, 2.08851 hours remaining, 237.843750 MB of memory in use. ENERGY: 2629800 3946.6466 20529.9586 14426.1072 224.7224 -203392.9400 2520.3958 0.0000 0.0000 51992.4521 -109752.6572 298.8013 -161745.1093 -109404.5037 299.3771 201.0271 224.9159 758735.2218 7.5962 7.4721 PRESSURE: 2630000 -63.6016 5.01571 325.391 5.01512 -123.442 96.8348 325.391 96.8344 -414.186 GPRESSURE: 2630000 -55.7051 96.3837 377.909 73.8336 -41.7038 84.9487 280.17 78.0502 -411.43 PRESSAVG: 2630000 25.4098 -23.4567 46.7836 -23.4566 -53.7525 -46.2249 46.7837 -46.2248 -8.42679 GPRESSAVG: 2630000 24.9419 -23.6957 47.7922 -20.8205 -52.9952 -47.2039 45.3779 -44.5649 -9.2359 TIMING: 2630000 CPU: 8313.63, 0.00318935/step Wall: 8313.63, 0.00318935/step, 2.09966 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2630000 3992.4372 20359.1225 14539.3155 244.7171 -203616.5768 2743.9105 0.0000 0.0000 51995.1819 -109741.8921 298.8170 -161737.0740 -109375.4041 299.0677 -200.4096 -169.6130 759751.9262 -12.2565 -12.4297 PRESSURE: 2630200 -76.3066 83.1625 75.3128 83.1625 -230.751 263.142 75.3124 263.141 -139.028 GPRESSURE: 2630200 -88.1094 39.2817 93.8771 5.74735 -177.703 207.901 64.2053 210.162 -104.71 PRESSAVG: 2630200 65.654 -21.864 34.5924 -21.8639 -88.6007 -38.229 34.5924 -38.229 17.167 GPRESSAVG: 2630200 67.2238 -21.5724 34.5719 -23.7044 -90.4613 -38.1152 34.5772 -40.0197 17.3915 TIMING: 2630200 CPU: 8314.26, 0.00318883/step Wall: 8314.26, 0.00318883/step, 2.09913 hours remaining, 237.843750 MB of memory in use. ENERGY: 2630200 3994.7956 20549.9287 14507.3124 248.2006 -203533.8647 2708.1371 0.0000 0.0000 51986.3510 -109539.1394 298.7663 -161525.4903 -109182.0874 299.3858 -148.6952 -123.5076 761144.7490 -1.9266 -1.9487 PRESSURE: 2630400 19.0179 31.4799 -57.7123 31.4795 30.7168 -245.134 -57.713 -245.133 -647.903 GPRESSURE: 2630400 87.6085 101.914 -36.5092 4.61877 48.8655 -252.521 -87.3452 -127.085 -635.648 PRESSAVG: 2630400 41.3495 25.2942 -53.7074 25.2942 -23.963 -12.4398 -53.7073 -12.4397 -5.26545 GPRESSAVG: 2630400 40.9623 25.7948 -52.6686 26.9217 -23.9573 -14.054 -55.6847 -10.7294 -4.87771 TIMING: 2630400 CPU: 8314.9, 0.00318376/step Wall: 8314.9, 0.00318376/step, 2.09562 hours remaining, 237.843750 MB of memory in use. ENERGY: 2630400 4001.8009 20460.3218 14487.7925 268.6368 -203544.6634 2646.8571 0.0000 0.0000 51833.8837 -109845.3706 297.8900 -161679.2543 -109490.7999 298.6650 -199.3895 -166.3913 760780.2705 4.0404 4.0424 PRESSURE: 2630600 -370.904 164.592 -55.717 164.592 215.522 -56.1591 -55.7177 -56.1585 -95.8905 GPRESSURE: 2630600 -179.856 61.4715 3.64995 142.25 123.395 -2.7758 26.5793 -80.8599 -115.352 PRESSAVG: 2630600 35.7472 57.2265 -2.24749 57.2265 -3.29076 22.9292 -2.2475 22.9293 -9.64045 GPRESSAVG: 2630600 36.718 55.7782 -2.43705 57.6364 -3.80353 25.7248 1.04738 20.0225 -10.0633 TIMING: 2630600 CPU: 8315.53, 0.00315908/step Wall: 8315.53, 0.00315908/step, 2.0792 hours remaining, 237.843750 MB of memory in use. ENERGY: 2630600 4002.6755 20414.9542 14533.8142 252.2057 -203761.5428 2662.1212 0.0000 0.0000 52011.7253 -109884.0467 298.9121 -161895.7720 -109518.2339 298.7223 -83.7575 -57.2712 759861.6619 7.6053 7.6170 PRESSURE: 2630800 -404.723 -142.039 189.759 -142.038 -474.609 125.554 189.759 125.553 -66.4962 GPRESSURE: 2630800 -358.022 -190.13 50.2719 -170.702 -454.93 107.079 187.191 0.141241 -60.6966 PRESSAVG: 2630800 7.98037 29.9458 -37.0432 29.9457 -43.3492 9.04318 -37.0433 9.04312 12.1901 GPRESSAVG: 2630800 7.81036 29.3054 -38.3163 29.1249 -43.0553 8.58251 -40.3422 12.1862 12.2651 TIMING: 2630800 CPU: 8316.16, 0.00316173/step Wall: 8316.16, 0.00316173/step, 2.08077 hours remaining, 237.843750 MB of memory in use. ENERGY: 2630800 3991.7167 20543.5912 14426.6791 248.2107 -202728.3752 2069.7698 0.0000 0.0000 51738.3698 -109710.0379 297.3411 -161448.4077 -109346.8095 298.7262 -315.2762 -291.2161 762208.9632 -7.7263 -7.6599 PRESSURE: 2631000 -66.4994 -130.013 -111.536 -130.013 4.31522 -117.203 -111.537 -117.202 137.714 GPRESSURE: 2631000 -63.9101 -125.584 -140.694 -10.8887 83.0609 -88.3423 -18.4258 -108.863 156.79 PRESSAVG: 2631000 -31.2424 -53.9666 16.5443 -53.9666 18.7115 18.2602 16.5443 18.2602 -3.15446 GPRESSAVG: 2631000 -31.7401 -51.9913 16.8494 -52.5075 19.2044 17.6216 17.5149 17.8783 -2.63525 TIMING: 2631000 CPU: 8316.8, 0.00315576/step Wall: 8316.8, 0.00315576/step, 2.07666 hours remaining, 237.843750 MB of memory in use. ENERGY: 2631000 4001.2335 20391.9914 14513.4647 244.6680 -203305.6104 2591.5472 0.0000 0.0000 51972.0179 -109590.6876 298.6839 -161562.7055 -109230.8774 298.9515 25.1767 58.6470 760247.6365 -5.2285 -5.0570 PRESSURE: 2631200 -245.72 -48.9712 16.7296 -48.9709 -156.293 -1.71696 16.7292 -1.71665 -407.732 GPRESSURE: 2631200 -228.542 51.4089 1.63671 41.4886 -99.5151 30.7625 -28.329 31.5249 -389.048 PRESSAVG: 2631200 -48.9255 -45.7789 -3.05968 -45.7789 66.7849 20.7669 -3.0597 20.767 4.22219 GPRESSAVG: 2631200 -47.9868 -45.0988 -2.76135 -47.1926 67.1631 19.7443 -1.65741 21.7865 3.35986 TIMING: 2631200 CPU: 8317.43, 0.00315746/step Wall: 8317.43, 0.00315746/step, 2.07761 hours remaining, 237.843750 MB of memory in use. ENERGY: 2631200 4052.4435 20401.7084 14493.2354 247.1050 -203226.7270 2409.6170 0.0000 0.0000 52170.3821 -109452.2356 299.8239 -161622.6177 -109093.9039 299.4117 -269.9151 -239.0351 758458.7145 7.3605 7.5121 PRESSURE: 2631400 403.111 -186.393 48.9595 -186.393 -16.6485 222.134 48.9598 222.133 52.4019 GPRESSURE: 2631400 385.862 -187.46 -30.507 -149.344 92.3387 122.306 39.1312 174.913 66.872 PRESSAVG: 2631400 24.1318 -20.7007 -56.1192 -20.7007 -4.6654 31.3583 -56.1192 31.3583 8.87234 GPRESSAVG: 2631400 23.1686 -20.4202 -56.4555 -20.9384 -4.34937 31.4754 -55.8833 30.0143 10.0678 TIMING: 2631400 CPU: 8318.06, 0.0031658/step Wall: 8318.06, 0.0031658/step, 2.08292 hours remaining, 237.843750 MB of memory in use. ENERGY: 2631400 4033.9207 20502.9171 14489.6924 233.1943 -203115.2660 2570.6111 0.0000 0.0000 51858.2294 -109426.7010 298.0300 -161284.9304 -109075.3666 299.1906 146.2881 181.6911 760692.5494 9.4463 9.6290 PRESSURE: 2631600 -85.2178 103.657 -30.4087 103.657 -273.229 143.12 -30.4075 143.12 -163.69 GPRESSURE: 2631600 -37.0494 127.806 -8.4227 112.614 -324.238 129.224 -79.8977 0.385096 -95.9914 PRESSAVG: 2631600 -42.5252 -14.656 -49.9566 -14.656 29.7484 -4.41738 -49.9566 -4.4173 -0.9689 GPRESSAVG: 2631600 -41.749 -15.8616 -50.2219 -13.9344 29.2632 -5.82241 -50.0288 -2.86351 -1.87066 TIMING: 2631600 CPU: 8318.69, 0.00314678/step Wall: 8318.69, 0.00314678/step, 2.07023 hours remaining, 237.843750 MB of memory in use. ENERGY: 2631600 3986.9666 20496.5605 14544.6040 276.3735 -203100.0111 2335.6875 0.0000 0.0000 52093.3565 -109366.4626 299.3812 -161459.8192 -109008.0159 299.6466 -174.0457 -152.4263 761267.9001 -4.5819 -4.7855 PRESSURE: 2631800 -61.7678 36.4407 -155.415 36.44 -43.5883 -106.39 -155.416 -106.39 202.278 GPRESSURE: 2631800 -13.3123 -31.4699 -136.943 -87.7456 -62.103 -111.125 -153.32 -154.742 262.237 PRESSAVG: 2631800 10.0517 -0.627253 -0.0957133 -0.627262 19.827 31.9671 -0.0957786 31.9671 17.4152 GPRESSAVG: 2631800 9.81351 -1.42408 0.361762 -2.79887 19.748 33.0023 1.10693 30.5388 18.1649 TIMING: 2631800 CPU: 8319.32, 0.00316313/step Wall: 8319.32, 0.00316313/step, 2.08081 hours remaining, 237.843750 MB of memory in use. ENERGY: 2631800 4015.0697 20510.2779 14488.1589 249.5006 -203596.7435 2495.0522 0.0000 0.0000 52186.6117 -109652.0725 299.9172 -161838.6842 -109301.5603 299.6611 32.3072 62.2741 759889.0892 15.7646 15.9088 PRESSURE: 2632000 165.776 -91.5091 -175.94 -91.5093 -7.48753 0.344304 -175.94 0.345059 -72.065 GPRESSURE: 2632000 106.069 -101.629 -260.894 -32.4977 74.8901 -56.4645 -61.1121 57.8657 -10.8036 PRESSAVG: 2632000 -15.5162 -40.6247 7.21141 -40.6247 -7.79944 45.3804 7.21139 45.3803 -3.54097 GPRESSAVG: 2632000 -15.5171 -40.1891 6.58409 -38.5072 -7.36503 47.0766 4.74037 45.4806 -3.61279 TIMING: 2632000 CPU: 8319.95, 0.00315154/step Wall: 8319.95, 0.00315154/step, 2.07301 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2632000 3928.8872 20461.5873 14460.3453 263.2025 -203486.7415 2551.0516 0.0000 0.0000 52186.3272 -109635.3404 299.9155 -161821.6676 -109268.1248 298.6875 28.7410 56.7185 758849.9657 -8.9522 -8.8317 PRESSURE: 2632200 83.7214 62.1659 66.5831 62.1665 -260.427 90.2664 66.5841 90.2674 -72.7097 GPRESSURE: 2632200 112.978 25.8294 -44.7255 -19.2472 -214.568 71.9718 27.7446 -76.502 -64.8764 PRESSAVG: 2632200 -14.4966 50.9362 -1.71817 50.9362 31.8779 19.3523 -1.71815 19.3523 -4.04429 GPRESSAVG: 2632200 -15.3078 51.1598 -0.550803 50.435 32.1455 18.1513 -2.85558 17.4073 -3.80802 TIMING: 2632200 CPU: 8320.58, 0.00314769/step Wall: 8320.58, 0.00314769/step, 2.07031 hours remaining, 237.843750 MB of memory in use. ENERGY: 2632200 4031.4516 20277.5380 14478.2199 229.9504 -203262.5044 2148.6391 0.0000 0.0000 52234.2733 -109862.4322 300.1911 -162096.7055 -109487.2229 298.9473 -83.1384 -55.4887 758135.2418 4.4457 4.3432 LDB: ============= START OF LOAD BALANCING ============== 8332.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8332.98 LDB: =============== DONE WITH MIGRATION ================ 8332.98 LDB: ============= START OF LOAD BALANCING ============== 8333.3 LDB: Largest compute 7058 load 0.035972 is 18.4% of average load 0.196016 LDB: Average compute 0.004386 is 2.2% of average load 0.196016 LDB: TIME 8333.3 LOAD: AVG 0.196016 MAX 0.216398 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 8333.3 LOAD: AVG 0.196016 MAX 0.216398 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: TIME 8333.3 LOAD: AVG 0.196016 MAX 0.216398 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: ============== END OF LOAD BALANCING =============== 8333.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8333.31 PRESSURE: 2632400 136.232 57.3032 -30.7469 57.3041 83.2072 -147.005 -30.7469 -147.005 37.2893 GPRESSURE: 2632400 186.573 -60.613 0.648825 62.7892 181.707 -115.096 26.8607 -46.0675 -17.8181 PRESSAVG: 2632400 7.85615 22.4694 20.5591 22.4693 -0.210857 46.0972 20.559 46.0973 1.1649 GPRESSAVG: 2632400 8.83905 21.3018 19.6248 20.6169 -0.437109 45.2351 22.9927 48.905 0.492419 TIMING: 2632400 CPU: 8321.23, 0.00322651/step Wall: 8321.23, 0.00322651/step, 2.12197 hours remaining, 238.871094 MB of memory in use. ENERGY: 2632400 3985.1468 20500.8090 14488.4512 246.6644 -203603.7635 2687.4241 0.0000 0.0000 51760.9073 -109934.3608 297.4706 -161695.2681 -109569.7251 298.9724 85.5761 116.8205 760680.4307 2.9367 2.9648 PRESSURE: 2632600 -5.88122 281.892 -323.23 281.892 -57.3687 -96.608 -323.23 -96.6077 -91.6399 GPRESSURE: 2632600 -5.80083 340.473 -299.178 284.101 2.4737 -86.238 -242.828 -118.443 -72.7188 PRESSAVG: 2632600 -7.29894 -19.6606 -19.7856 -19.6606 -23.1529 41.7043 -19.7856 41.7044 -5.89618 GPRESSAVG: 2632600 -7.00784 -19.1319 -18.5725 -18.947 -22.3047 43.3125 -20.3382 40.0732 -6.82823 TIMING: 2632600 CPU: 8321.86, 0.00318085/step Wall: 8321.86, 0.00318085/step, 2.09176 hours remaining, 238.871094 MB of memory in use. ENERGY: 2632600 3914.4153 20586.1565 14509.3508 222.0500 -203752.5010 2649.7890 0.0000 0.0000 51928.9778 -109941.7616 298.4365 -161870.7394 -109577.7669 298.2781 -51.6299 -25.3486 763202.8492 -12.1160 -12.0469 PRESSURE: 2632800 213.503 -114.353 9.61884 -114.353 125.153 -81.5001 9.61833 -81.5 -171.501 GPRESSURE: 2632800 213.037 -4.20586 29.2477 -156.235 200.803 -88.5374 63.2832 -35.8762 -161.453 PRESSAVG: 2632800 -9.10096 44.5708 -42.9867 44.5709 3.13845 -59.4201 -42.9867 -59.4202 8.82532 GPRESSAVG: 2632800 -9.22433 45.2052 -42.4636 43.4599 2.29384 -60.5785 -42.2926 -58.9491 9.35157 TIMING: 2632800 CPU: 8322.5, 0.0031753/step Wall: 8322.5, 0.0031753/step, 2.08794 hours remaining, 238.871094 MB of memory in use. ENERGY: 2632800 3983.1143 20343.6949 14491.1622 238.7900 -204057.9040 2965.6069 0.0000 0.0000 51828.3918 -110207.1439 297.8585 -162035.5357 -109837.3246 298.1373 55.7183 84.1288 761649.1679 0.9543 0.8070 PRESSURE: 2633000 143.442 19.3675 -160.82 19.3665 202.897 263.935 -160.82 263.934 -46.9306 GPRESSURE: 2633000 171.604 18.5333 -146.929 -0.664912 145.309 208.304 -258.974 207.689 61.2068 PRESSAVG: 2633000 26.5891 5.77855 -72.2632 5.77856 1.32013 23.2723 -72.2632 23.2723 1.68536 GPRESSAVG: 2633000 26.2606 5.3518 -73.4795 8.98106 1.08067 23.2076 -72.4269 23.1889 2.4001 TIMING: 2633000 CPU: 8323.13, 0.00315844/step Wall: 8323.13, 0.00315844/step, 2.07668 hours remaining, 238.871094 MB of memory in use. ENERGY: 2633000 3981.4551 20483.1299 14441.0525 266.5708 -203593.8262 2524.7583 0.0000 0.0000 52082.6738 -109814.1857 299.3198 -161896.8596 -109450.7872 298.5919 99.8029 126.0397 760019.6132 9.8649 9.9138 PRESSURE: 2633200 4.17518 78.1973 158.555 78.1988 -374.862 128.5 158.555 128.5 14.0626 GPRESSURE: 2633200 11.6492 -87.8031 147.785 102.211 -315.808 28.733 154.784 90.0181 21.3085 PRESSAVG: 2633200 12.4694 -2.80495 -17.8138 -2.8049 -29.7105 4.04972 -17.8139 4.04974 -8.40066 GPRESSAVG: 2633200 12.9348 -2.62108 -17.1405 -4.5503 -30.2174 5.39014 -19.005 1.98685 -8.69043 TIMING: 2633200 CPU: 8323.76, 0.00316178/step Wall: 8323.76, 0.00316178/step, 2.0787 hours remaining, 238.871094 MB of memory in use. ENERGY: 2633200 3993.9762 20584.3643 14381.1640 245.0691 -203408.2171 2483.1837 0.0000 0.0000 52117.3215 -109603.1382 299.5190 -161720.4597 -109236.1168 299.1979 -118.8748 -94.2833 762286.7268 -8.5473 -8.6577 PRESSURE: 2633400 247.332 -24.9821 137.018 -24.9829 226.922 73.0802 137.019 73.0812 148.851 GPRESSURE: 2633400 219.044 10.2551 180.582 -28.3439 297.853 109.019 80.1576 3.17766 176.182 PRESSAVG: 2633400 32.7421 38.4904 6.34479 38.4904 -20.8505 22.2913 6.34479 22.2914 2.09185 GPRESSAVG: 2633400 33.1239 38.6371 6.10537 39.1734 -21.1913 21.7885 7.90178 23.85 2.14749 TIMING: 2633400 CPU: 8324.4, 0.00316226/step Wall: 8324.4, 0.00316225/step, 2.07883 hours remaining, 238.871094 MB of memory in use. ENERGY: 2633400 3992.4301 20756.5453 14493.5832 250.6329 -204106.7657 3100.7315 0.0000 0.0000 51892.2266 -109620.6161 298.2253 -161512.8427 -109259.6713 299.2869 207.7014 231.0266 760584.2405 4.6612 4.6934 PRESSURE: 2633600 -162.645 38.8588 12.2997 38.8583 49.53 -154.295 12.3 -154.295 -460.459 GPRESSURE: 2633600 -123.939 40.8957 -66.2849 -154.43 25.5407 -153.23 -93.0647 -156.633 -390.312 PRESSAVG: 2633600 7.76136 3.90806 -3.35195 3.90805 -5.63528 26.646 -3.35196 26.646 1.99307 GPRESSAVG: 2633600 7.733 4.38908 -4.9095 2.54403 -4.53057 26.6458 -3.22323 27.3094 0.728335 TIMING: 2633600 CPU: 8325.02, 0.00314116/step Wall: 8325.02, 0.00314116/step, 2.06479 hours remaining, 238.871094 MB of memory in use. ENERGY: 2633600 4022.1079 20560.6003 14388.9984 232.1295 -203217.2822 2255.4071 0.0000 0.0000 51891.9348 -109866.1042 298.2237 -161758.0390 -109506.2865 298.9337 -191.1915 -162.9034 760917.1307 1.3730 1.3103 PRESSURE: 2633800 127.186 179.62 17.096 179.62 -11.3743 -89.8014 17.0952 -89.8011 -91.1397 GPRESSURE: 2633800 146.82 116.14 39.7693 25.9924 43.4345 -143.255 49.3548 -6.43874 -55.0656 PRESSAVG: 2633800 50.5443 -9.84014 -28.3628 -9.84018 -2.44497 42.017 -28.3627 42.017 -4.14847 GPRESSAVG: 2633800 50.1321 -10.0042 -27.2552 -7.99353 -3.79699 40.4592 -31.2821 43.6317 -2.55176 TIMING: 2633800 CPU: 8325.65, 0.00315764/step Wall: 8325.65, 0.00315764/step, 2.07544 hours remaining, 238.871094 MB of memory in use. ENERGY: 2633800 3997.8318 20361.0050 14474.5591 237.7798 -203692.6510 2682.4119 0.0000 0.0000 52101.5576 -109837.5058 299.4284 -161939.0634 -109467.6594 298.9754 8.2239 45.0628 760502.3825 14.6503 14.5945 PRESSURE: 2634000 -295.601 145.779 -130.934 145.779 32.9521 95.4678 -130.933 95.4689 -139.794 GPRESSURE: 2634000 -232.034 132.435 -191.539 121.678 41.0357 88.5206 -218.37 163.059 -102.093 PRESSAVG: 2634000 -25.2555 1.47563 -29.5175 1.47562 17.007 4.45051 -29.5174 4.45051 36.9957 GPRESSAVG: 2634000 -25.2091 1.682 -30.8319 -1.35512 19.0548 7.11723 -25.5396 3.16088 35.1868 TIMING: 2634000 CPU: 8326.29, 0.00315167/step Wall: 8326.29, 0.00315166/step, 2.07134 hours remaining, 238.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2634000 4000.1128 20638.8587 14468.1261 254.2322 -203476.4267 2556.8290 0.0000 0.0000 51832.3082 -109725.9596 297.8810 -161558.2678 -109358.8333 299.4531 -134.1479 -97.6970 761301.0029 9.5824 9.6775 PRESSURE: 2634200 310.498 -32.8563 29.5688 -32.8561 27.8195 -92.0831 29.5687 -92.0827 238.022 GPRESSURE: 2634200 283.182 7.17101 20.0136 -20.6749 92.612 -48.6613 36.1163 -208.521 259.51 PRESSAVG: 2634200 0.278894 -21.4649 -24.011 -21.4649 -9.72505 15.2042 -24.0109 15.2041 -4.58943 GPRESSAVG: 2634200 0.629581 -23.2675 -20.407 -18.8496 -10.9848 15.2589 -25.9625 16.0636 -3.31672 TIMING: 2634200 CPU: 8326.92, 0.00315778/step Wall: 8326.92, 0.00315778/step, 2.07519 hours remaining, 238.871094 MB of memory in use. ENERGY: 2634200 3971.8031 20721.2136 14454.2110 240.3329 -204009.6187 2938.0614 0.0000 0.0000 51792.9389 -109891.0576 297.6547 -161683.9966 -109528.6021 298.9886 192.1133 211.7683 760156.6513 -4.6785 -4.5573 PRESSURE: 2634400 51.2239 91.3863 73.4822 91.3851 -146.992 -6.66402 73.4812 -6.6637 -349.961 GPRESSURE: 2634400 99.1585 54.6688 158.668 74.4929 -148.924 31.7578 146.02 4.53921 -274.063 PRESSAVG: 2634400 23.0889 7.90523 17.3452 7.90526 -40.7421 -2.4499 17.3451 -2.4498 -18.4191 GPRESSAVG: 2634400 23.0597 7.98288 15.8168 6.50445 -40.9344 -4.33953 18.5184 -3.44312 -18.1791 TIMING: 2634400 CPU: 8327.55, 0.00316292/step Wall: 8327.55, 0.00316292/step, 2.07839 hours remaining, 238.871094 MB of memory in use. ENERGY: 2634400 3969.0399 20562.2767 14424.4165 253.7524 -203301.5458 2248.6309 0.0000 0.0000 51957.8492 -109885.5802 298.6025 -161843.4294 -109517.5891 298.5257 -148.5764 -107.9427 759939.7134 -12.0241 -12.0179 PRESSURE: 2634600 68.4995 -36.4702 -201.999 -36.4706 -121.202 4.02706 -202 4.02829 111.842 GPRESSURE: 2634600 52.0962 -10.3553 -130.034 69.2428 13.6064 -34.1442 -234.341 13.1209 84.9357 PRESSAVG: 2634600 22.0832 13.5315 -7.26654 13.5315 -20.6369 68.5665 -7.26655 68.5665 9.76347 GPRESSAVG: 2634600 21.8177 12.4568 -7.09654 15.188 -20.2286 67.8363 -7.80429 69.6607 9.23842 TIMING: 2634600 CPU: 8328.18, 0.00315905/step Wall: 8328.18, 0.00315905/step, 2.07567 hours remaining, 238.871094 MB of memory in use. ENERGY: 2634600 3996.3892 20435.2354 14484.5480 247.1725 -203669.9996 2578.6802 0.0000 0.0000 52141.6294 -109786.3450 299.6587 -161927.9744 -109423.1563 298.5800 19.7132 50.2128 760698.6753 3.7366 3.6092 PRESSURE: 2634800 -103.825 -226.588 -18.9027 -226.589 35.1427 97.9237 -18.9028 97.9232 -508.01 GPRESSURE: 2634800 -65.4241 -194.691 -5.44577 -190.322 10.3421 55.6218 9.11995 14.7828 -448.222 PRESSAVG: 2634800 85.5428 29.4976 32.6901 29.4977 -42.801 18.5586 32.69 18.5586 -6.86848 GPRESSAVG: 2634800 87.0401 31.1665 31.0626 29.1853 -43.4864 19.3146 31.8534 17.6549 -7.69815 TIMING: 2634800 CPU: 8328.81, 0.00316255/step Wall: 8328.81, 0.00316255/step, 2.0778 hours remaining, 238.871094 MB of memory in use. ENERGY: 2634800 4004.0648 20494.5307 14511.2056 229.0437 -202820.3152 2004.5532 0.0000 0.0000 51982.4560 -109594.4613 298.7439 -161576.9172 -109234.2138 298.8839 -192.2309 -167.7681 759540.4457 11.9578 11.9519 PRESSURE: 2635000 90.6305 294.175 286.084 294.175 4.78787 42.1495 286.084 42.1493 -258.66 GPRESSURE: 2635000 158.831 257.633 273.392 180.093 30.9611 1.20029 224.765 153.823 -273.457 PRESSAVG: 2635000 -0.300283 24.7479 13.7936 24.7478 12.2988 59.6711 13.7936 59.6711 -14.3378 GPRESSAVG: 2635000 -1.86349 23.7103 14.8326 24.3061 12.8381 60.6373 13.9438 60.4473 -13.8446 TIMING: 2635000 CPU: 8329.44, 0.00315682/step Wall: 8329.44, 0.00315682/step, 2.07386 hours remaining, 238.871094 MB of memory in use. ENERGY: 2635000 4021.7112 20581.8477 14492.6847 246.3638 -203689.3371 2685.3487 0.0000 0.0000 51960.9635 -109700.4175 298.6204 -161661.3810 -109340.6692 298.6513 -54.4137 -27.8885 761872.6255 -0.7798 -0.9567 PRESSURE: 2635200 -174.74 -81.0219 -254.509 -81.0223 -93.8425 79.6501 -254.509 79.6497 -36.9929 GPRESSURE: 2635200 -97.7221 -49.3668 -243.448 -43.5043 -74.4346 100.706 -160.622 21.2332 -43.3609 PRESSAVG: 2635200 19.9393 1.84287 19.2989 1.84283 -42.8762 -3.96983 19.2989 -3.96974 -9.72998 GPRESSAVG: 2635200 20.3656 2.44811 19.9474 3.23577 -42.9233 -4.55566 19.7303 -2.98919 -10.1435 TIMING: 2635200 CPU: 8330.07, 0.00314685/step Wall: 8330.07, 0.00314685/step, 2.06713 hours remaining, 238.871094 MB of memory in use. ENERGY: 2635200 4012.8428 20464.6904 14476.4289 234.5582 -203503.6225 2595.7072 0.0000 0.0000 51829.9176 -109889.4773 297.8672 -161719.3949 -109539.1631 298.9292 -101.8586 -71.8392 762190.7599 -10.8889 -10.9004 PRESSURE: 2635400 -176.414 -163.679 157.331 -163.679 182.402 33.4796 157.333 33.4809 -110.703 GPRESSURE: 2635400 -136.786 -28.5021 116.394 -32.1916 230.137 -52.3967 82.05 75.2143 -109.942 PRESSAVG: 2635400 1.9369 -10.0988 38.1964 -10.0988 -19.745 -30.0838 38.1965 -30.0837 -11.166 GPRESSAVG: 2635400 -0.147297 -8.5095 37.3224 -11.6139 -18.5363 -29.679 38.0747 -32.6544 -10.1823 TIMING: 2635400 CPU: 8330.71, 0.00316753/step Wall: 8330.71, 0.00316753/step, 2.08054 hours remaining, 238.871094 MB of memory in use. ENERGY: 2635400 4005.6404 20582.4927 14519.3824 233.1603 -203314.4577 2394.6161 0.0000 0.0000 51859.2377 -109719.9283 298.0358 -161579.1659 -109361.6640 298.8529 -34.9046 -5.5305 761718.1899 -9.6580 -9.6220 PRESSURE: 2635600 109.978 -117.593 -47.0978 -117.593 -307.265 146.372 -47.0973 146.373 467.949 GPRESSURE: 2635600 173.94 -155.122 13.5809 -101.721 -269.223 140.7 -10.4413 179.732 448.697 PRESSAVG: 2635600 6.82294 -46.1715 3.57231 -46.1715 -0.00507228 -19.169 3.57231 -19.1691 5.28354 GPRESSAVG: 2635600 8.14386 -47.5201 5.8284 -46.6172 0.78503 -18.6093 2.35409 -17.8748 3.02733 TIMING: 2635600 CPU: 8331.34, 0.00315327/step Wall: 8331.34, 0.00315327/step, 2.071 hours remaining, 238.871094 MB of memory in use. ENERGY: 2635600 3984.8899 20678.5407 14528.7992 247.2088 -203344.6709 2478.2575 0.0000 0.0000 52030.9591 -109396.0157 299.0226 -161426.9747 -109035.2431 299.5974 90.2204 117.8049 759095.9981 4.0338 3.9854 PRESSURE: 2635800 144.283 108.914 -195.308 108.914 -49.2292 72.7802 -195.308 72.7799 57.0226 GPRESSURE: 2635800 154.47 120.237 -105.989 171.94 -13.8748 44.8941 -181.364 -98.5628 91.513 PRESSAVG: 2635800 40.2201 -37.4539 -21.0382 -37.4538 -6.44345 -25.8188 -21.0381 -25.8189 9.53664 GPRESSAVG: 2635800 41.284 -37.2698 -21.6533 -36.6043 -8.96067 -24.3769 -17.9199 -28.4216 11.5807 TIMING: 2635800 CPU: 8331.97, 0.00315827/step Wall: 8331.97, 0.00315827/step, 2.07411 hours remaining, 238.871094 MB of memory in use. ENERGY: 2635800 3941.5053 20543.5220 14555.9891 272.4644 -203078.7314 2380.9413 0.0000 0.0000 52042.8062 -109341.5032 299.0907 -161384.3093 -108966.4606 300.0017 50.6920 77.3695 761119.0357 14.4378 14.6347 PRESSURE: 2636000 44.1184 -128.634 132.182 -128.633 302.851 151.728 132.182 151.728 -153.274 GPRESSURE: 2636000 161.238 -132.398 40.558 -118.591 314.688 128.355 108.601 45.7851 -179.831 PRESSAVG: 2636000 101.388 -8.49475 -13.0267 -8.49475 -79.17 28.9604 -13.0267 28.9604 -19.1902 GPRESSAVG: 2636000 99.7081 -7.85504 -14.692 -10.1886 -77.5505 28.2631 -15.2738 30.8396 -19.2687 TIMING: 2636000 CPU: 8332.6, 0.0031509/step Wall: 8332.6, 0.0031509/step, 2.06909 hours remaining, 238.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2636000 3917.7762 20528.0295 14482.1459 229.0945 -203158.2271 2581.8413 0.0000 0.0000 52034.5945 -109384.7452 299.0435 -161419.3397 -109021.3427 299.4729 64.5651 98.6980 759865.7219 1.0091 0.9630 PRESSURE: 2636200 -129.73 24.0352 -74.8012 24.0361 230.066 85.1532 -74.8007 85.1531 105.031 GPRESSURE: 2636200 64.7857 -94.4361 -39.1745 -41.5038 165.735 106.791 -0.883185 139.808 61.3813 PRESSAVG: 2636200 54.153 -17.0695 -61.7708 -17.0695 -23.3834 13.5241 -61.7709 13.5242 21.1869 GPRESSAVG: 2636200 55.8111 -18.4781 -60.0571 -15.9945 -24.4344 12.398 -61.1636 13.579 20.4955 TIMING: 2636200 CPU: 8333.23, 0.00316549/step Wall: 8333.23, 0.00316549/step, 2.0785 hours remaining, 238.871094 MB of memory in use. ENERGY: 2636200 3946.8736 20644.4926 14555.8922 239.3533 -203563.2912 2619.6430 0.0000 0.0000 52174.4025 -109382.6341 299.8470 -161557.0365 -109027.7956 299.6610 68.4557 97.3007 760112.7648 17.3188 17.2907 LDB: ============= START OF LOAD BALANCING ============== 8345.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8345.63 LDB: =============== DONE WITH MIGRATION ================ 8345.63 LDB: ============= START OF LOAD BALANCING ============== 8345.95 LDB: Largest compute 7058 load 0.034577 is 17.6% of average load 0.196073 LDB: Average compute 0.004386 is 2.2% of average load 0.196073 LDB: TIME 8345.95 LOAD: AVG 0.196073 MAX 0.218638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 8345.95 LOAD: AVG 0.196073 MAX 0.218638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 8345.95 LOAD: AVG 0.196073 MAX 0.218638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 8345.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8345.96 PRESSURE: 2636400 293.609 -13.7855 -35.6585 -13.785 122.939 13.5485 -35.6578 13.5477 188.079 GPRESSURE: 2636400 242.941 -70.2464 8.27067 10.8808 240.895 -40.2492 -78.3282 106.509 196.854 PRESSAVG: 2636400 2.88799 7.15803 10.0211 7.15804 -15.2448 31.4396 10.0211 31.4396 -27.0773 GPRESSAVG: 2636400 1.73271 8.08026 9.09041 6.95457 -15.4865 30.9174 8.92057 33.1714 -26.6064 TIMING: 2636400 CPU: 8333.88, 0.00321798/step Wall: 8333.88, 0.00321798/step, 2.11278 hours remaining, 238.152344 MB of memory in use. ENERGY: 2636400 3958.8330 20388.8082 14500.9878 245.3456 -203406.6480 2706.9502 0.0000 0.0000 52083.6207 -109522.1025 299.3253 -161605.7232 -109152.8397 299.3247 201.5423 226.8968 760771.4072 -13.1447 -13.4534 PRESSURE: 2636600 65.9832 27.5961 -74.4974 27.5958 23.9246 169.27 -74.4974 169.27 509.643 GPRESSURE: 2636600 154.069 53.5593 -156.653 17.7066 -102.551 192.048 -11.6361 140.088 634.476 PRESSAVG: 2636600 -7.90613 -29.9852 -2.75426 -29.9851 45.2842 -3.12762 -2.75421 -3.12766 -23.64 GPRESSAVG: 2636600 -6.8966 -30.1046 -3.96471 -30.6235 43.8784 -0.919275 -0.92785 -4.59453 -23.5713 TIMING: 2636600 CPU: 8334.5, 0.00313137/step Wall: 8334.5, 0.00313137/step, 2.05574 hours remaining, 238.152344 MB of memory in use. ENERGY: 2636600 3933.3760 20515.9396 14483.8912 244.9528 -202949.5273 2337.5715 0.0000 0.0000 52034.4170 -109399.3793 299.0425 -161433.7962 -109032.0046 298.8795 199.8503 228.6643 760590.8292 4.5793 4.4701 PRESSURE: 2636800 216.991 236.197 152.908 236.198 -159.201 -59.4376 152.908 -59.4376 271.724 GPRESSURE: 2636800 204.818 234.377 157.493 190.51 -60.7572 -40.7141 -27.2565 -90.928 260.964 PRESSAVG: 2636800 -13.6806 9.00922 -17.0283 9.00915 10.484 -18.6068 -17.0282 -18.6068 13.6932 GPRESSAVG: 2636800 -13.9903 9.24029 -17.0204 9.49477 11.5658 -18.8921 -16.7511 -18.7062 12.6986 TIMING: 2636800 CPU: 8335.13, 0.00315766/step Wall: 8335.13, 0.00315767/step, 2.07283 hours remaining, 238.152344 MB of memory in use. ENERGY: 2636800 4037.2820 20412.6454 14478.1777 249.5741 -203427.3354 2790.2715 0.0000 0.0000 52057.1502 -109402.2346 299.1732 -161459.3848 -109033.3009 299.4332 109.8378 135.0083 760747.0480 3.4989 3.4247 PRESSURE: 2637000 31.2793 69.708 -237.92 69.7086 141.936 24.1702 -237.919 24.1725 100.435 GPRESSURE: 2637000 15.2079 24.34 -161.144 63.1531 178.705 -78.3099 -69.713 124.189 172.013 PRESSAVG: 2637000 -0.747853 -40.727 22.5438 -40.727 44.1212 29.2186 22.5438 29.2186 -3.1889 GPRESSAVG: 2637000 -2.48906 -42.5837 23.7721 -39.5979 45.5571 27.907 20.6844 30.8735 -2.98799 TIMING: 2637000 CPU: 8335.77, 0.0031832/step Wall: 8335.77, 0.0031832/step, 2.08942 hours remaining, 238.152344 MB of memory in use. ENERGY: 2637000 3945.5574 20507.4999 14503.7868 243.0488 -203552.2132 2789.6664 0.0000 0.0000 52033.0842 -109529.5697 299.0349 -161562.6539 -109173.9135 299.4824 91.2168 121.9756 759229.0351 13.3948 13.3600 PRESSURE: 2637200 89.5572 -53.0476 140.77 -53.0473 -45.7218 -121.525 140.77 -121.524 153.381 GPRESSURE: 2637200 83.6604 -31.7634 116.055 -25.15 18.4644 -99.612 242.414 -95.06 189.244 PRESSAVG: 2637200 7.98628 5.12819 23.3745 5.12818 -52.8884 18.3428 23.3745 18.3427 -14.8289 GPRESSAVG: 2637200 8.15435 4.31243 23.796 2.65512 -53.8164 16.9464 24.2972 17.4627 -13.0189 TIMING: 2637200 CPU: 8336.41, 0.00317895/step Wall: 8336.41, 0.00317895/step, 2.08645 hours remaining, 238.152344 MB of memory in use. ENERGY: 2637200 3987.3774 20446.6883 14468.5189 246.4541 -203366.6468 2571.3115 0.0000 0.0000 52187.0113 -109459.2853 299.9195 -161646.2966 -109103.7359 299.6711 65.7389 97.1231 760117.1611 -19.9104 -19.5603 PRESSURE: 2637400 -47.0702 85.4323 74.86 85.4321 -167.235 -40.3913 74.8596 -40.3906 160.746 GPRESSURE: 2637400 -158.192 155.168 104.294 24.1851 37.3341 -72.1079 -38.0221 -52.4393 127.646 PRESSAVG: 2637400 12.5785 9.75221 48.5351 9.75211 -16.0498 24.9049 48.5351 24.9049 15.0946 GPRESSAVG: 2637400 13.2624 13.431 49.1453 10.4525 -15.7877 25.2332 47.8963 25.8987 14.1234 TIMING: 2637400 CPU: 8337.04, 0.00318238/step Wall: 8337.04, 0.00318238/step, 2.08853 hours remaining, 238.152344 MB of memory in use. ENERGY: 2637400 3976.9947 20549.6830 14527.5486 246.6336 -203290.6115 2451.0959 0.0000 0.0000 52025.2290 -109513.4265 298.9897 -161538.6556 -109148.7321 298.9239 -17.8531 2.2626 761392.0025 3.8745 3.8660 PRESSURE: 2637600 140.592 39.156 -49.5145 39.1554 -43.5218 182.851 -49.5147 182.851 235.049 GPRESSURE: 2637600 154.994 -69.2147 -19.7065 -69.6139 23.8441 137.887 57.5625 99.8839 226.077 PRESSAVG: 2637600 41.27 -26.6722 -0.465889 -26.6722 31.7805 -14.4991 -0.465941 -14.4991 7.36505 GPRESSAVG: 2637600 43.1025 -28.6179 -1.91647 -27.2175 30.8046 -14.2527 2.30528 -15.282 6.49818 TIMING: 2637600 CPU: 8337.68, 0.00317119/step Wall: 8337.68, 0.00317119/step, 2.081 hours remaining, 238.152344 MB of memory in use. ENERGY: 2637600 3970.8078 20479.2790 14466.4992 238.7461 -203382.8367 2716.4158 0.0000 0.0000 52369.1243 -109141.9645 300.9661 -161511.0888 -108776.1575 299.7119 110.7064 134.9715 759718.2683 26.8052 26.8018 PRESSURE: 2637800 121.408 -14.704 24.5126 -14.7032 95.8651 158.042 24.5116 158.042 83.2421 GPRESSURE: 2637800 128.213 55.9914 5.04306 -160.677 118.854 218.826 10.6454 2.49746 125.629 PRESSAVG: 2637800 -6.79593 -9.96957 -6.67245 -9.96955 -22.0772 -0.847805 -6.67244 -0.847745 13.3041 GPRESSAVG: 2637800 -7.19124 -8.40798 -6.02466 -9.3294 -21.4005 0.398424 -8.98299 -3.79737 12.7376 TIMING: 2637800 CPU: 8338.31, 0.00317467/step Wall: 8338.31, 0.00317467/step, 2.08311 hours remaining, 238.152344 MB of memory in use. ENERGY: 2637800 3920.6672 20712.9548 14541.2769 249.0012 -202900.1778 2359.5675 0.0000 0.0000 52115.2063 -109001.5039 299.5068 -161116.7102 -108648.3208 299.7648 100.1718 124.2317 760245.8850 -5.1897 -5.2847 PRESSURE: 2638000 -94.5585 98.6547 84.0477 98.654 -410.802 -437.869 84.0481 -437.87 235.674 GPRESSURE: 2638000 -76.2243 90.6854 -7.92719 -37.0062 -334.83 -349.994 120.961 -312.87 219.273 PRESSAVG: 2638000 44.4137 14.8779 -2.69613 14.878 -19.2208 -70.0593 -2.69608 -70.0593 5.48576 GPRESSAVG: 2638000 43.9971 11.9604 -3.91805 15.245 -20.1923 -69.9606 -2.36282 -66.3641 7.27894 TIMING: 2638000 CPU: 8338.94, 0.00315072/step Wall: 8338.94, 0.00315072/step, 2.06722 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2638000 4050.3607 20619.3773 14504.5198 241.1031 -202878.5019 2468.9596 0.0000 0.0000 52075.0023 -108919.1790 299.2758 -160994.1814 -108557.0397 300.5273 -89.8957 -63.9270 762094.9893 10.2262 10.3612 PRESSURE: 2638200 237.888 -113.72 101.18 -113.72 -40.8338 61.0599 101.18 61.0598 -177.619 GPRESSURE: 2638200 151.567 -65.3159 128.506 -118.99 42.3443 31.3844 10.6994 6.35151 -100.309 PRESSAVG: 2638200 29.1611 -23.5573 8.8219 -23.5573 19.6389 9.2491 8.82189 9.2491 -30.407 GPRESSAVG: 2638200 27.1546 -21.9541 9.55948 -24.1006 21.6198 9.52786 8.47283 8.24334 -30.759 TIMING: 2638200 CPU: 8339.58, 0.0031712/step Wall: 8339.58, 0.0031712/step, 2.08048 hours remaining, 238.152344 MB of memory in use. ENERGY: 2638200 3930.9887 20757.0770 14503.8575 245.0718 -202568.6766 2283.1764 0.0000 0.0000 52207.7606 -108640.7446 300.0387 -160848.5052 -108276.4198 300.6020 6.4786 31.2008 761558.1963 6.1310 6.0051 PRESSURE: 2638400 -10.4438 -81.8906 -75.5538 -81.8916 2.37237 128.429 -75.5538 128.429 -66.7319 GPRESSURE: 2638400 23.0133 -84.8125 23.1912 -186.397 7.49045 66.8346 12.2673 129.045 -34.6119 PRESSAVG: 2638400 42.0021 38.5776 70.3137 38.5775 -2.87974 -19.5456 70.3136 -19.5456 25.7631 GPRESSAVG: 2638400 43.2506 36.6969 69.0896 37.6084 -3.74922 -20.722 68.3806 -19.5305 26.1237 TIMING: 2638400 CPU: 8340.21, 0.00316144/step Wall: 8340.21, 0.00316144/step, 2.07391 hours remaining, 238.152344 MB of memory in use. ENERGY: 2638400 3985.3155 20680.1761 14580.7847 247.1823 -202722.4753 2343.0324 0.0000 0.0000 52160.5981 -108725.3862 299.7677 -160885.9843 -108367.9958 301.0249 -24.9345 -1.3694 762971.5393 21.6285 21.8750 PRESSURE: 2638600 481.959 -98.7069 -66.9803 -98.7068 113.501 -161.793 -66.9797 -161.793 15.8413 GPRESSURE: 2638600 480.575 2.47328 -16.1593 -23.8661 182.587 -99.1394 -102.212 -129.581 25.5414 PRESSAVG: 2638600 37.3619 13.0843 34.4464 13.0843 -7.56869 -36.5039 34.4464 -36.5038 7.09849 GPRESSAVG: 2638600 37.7662 14.8558 35.0634 15.4703 -7.4076 -35.9927 38.1839 -34.8638 6.35802 TIMING: 2638600 CPU: 8340.84, 0.00316747/step Wall: 8340.84, 0.00316747/step, 2.07768 hours remaining, 238.152344 MB of memory in use. ENERGY: 2638600 4028.5838 20572.7072 14511.3289 242.4180 -203186.7528 2369.7940 0.0000 0.0000 52511.0521 -108950.8688 301.7817 -161461.9209 -108586.7370 300.4987 203.7671 229.5678 759721.2009 12.2972 12.2389 PRESSURE: 2638800 293.697 72.9969 -122.665 72.9971 85.8814 -160.138 -122.665 -160.139 325.513 GPRESSURE: 2638800 359.065 29.3929 -56.8666 80.083 82.5877 -142.538 -82.2547 -0.0115272 325.137 PRESSAVG: 2638800 81.0431 6.16195 34.7778 6.16191 -15.4047 -21.553 34.7778 -21.553 12.958 GPRESSAVG: 2638800 80.4976 4.92791 34.8011 5.60298 -14.9936 -21.8431 35.0869 -23.3186 12.5706 TIMING: 2638800 CPU: 8341.48, 0.00316026/step Wall: 8341.48, 0.00316026/step, 2.07278 hours remaining, 238.152344 MB of memory in use. ENERGY: 2638800 3936.1560 20581.3013 14503.2448 266.6264 -202890.1714 2512.7522 0.0000 0.0000 52261.7165 -108828.3742 300.3488 -161090.0907 -108460.6565 300.5595 235.0305 255.5965 759450.4562 26.1988 26.0249 PRESSURE: 2639000 -124.569 148.648 -51.8944 148.649 46.5845 -262.61 -51.8948 -262.611 -78.4094 GPRESSURE: 2639000 -44.9496 119.448 29.7218 102.025 -26.1218 -237.568 -41.8697 -186.53 3.52946 PRESSAVG: 2639000 -70.1772 4.31331 -26.7996 4.31343 94.4048 -18.5934 -26.7996 -18.5934 -0.268537 GPRESSAVG: 2639000 -68.7538 4.43304 -26.4014 4.23756 93.172 -17.6055 -28.0744 -17.8335 0.0568192 TIMING: 2639000 CPU: 8342.11, 0.00315338/step Wall: 8342.11, 0.00315338/step, 2.06809 hours remaining, 238.152344 MB of memory in use. ENERGY: 2639000 4047.6077 20523.3515 14496.0501 244.8909 -202926.9574 2388.4289 0.0000 0.0000 52179.4169 -109047.2114 299.8758 -161226.6283 -108686.6312 300.5289 -52.1313 -22.5140 760829.2385 7.9864 8.1583 PRESSURE: 2639200 -328.611 23.4246 179.952 23.4244 -350.735 -52.701 179.952 -52.6996 -243.373 GPRESSURE: 2639200 -335.165 78.2887 236.997 95.6525 -198.376 -87.8099 153.395 -82.9639 -300.04 PRESSAVG: 2639200 -29.5361 -22.7528 45.6804 -22.7529 -15.2226 -11.8077 45.6803 -11.8078 -13.1933 GPRESSAVG: 2639200 -29.3694 -21.0571 46.2266 -22.1021 -13.9344 -11.6148 45.5651 -12.9528 -14.4693 TIMING: 2639200 CPU: 8342.73, 0.00314518/step Wall: 8342.73, 0.00314518/step, 2.06254 hours remaining, 238.152344 MB of memory in use. ENERGY: 2639200 4024.1454 20488.5277 14464.7575 244.9785 -202842.7725 2245.0838 0.0000 0.0000 52207.4971 -109167.7826 300.0372 -161375.2796 -108804.8967 300.5344 -307.5730 -277.8603 761972.2706 -19.3173 -19.2577 PRESSURE: 2639400 -382.171 6.583 196.973 6.5824 127.801 -10.9765 196.973 -10.9766 165.597 GPRESSURE: 2639400 -305.395 131.933 80.5729 -80.7418 87.5284 -59.5003 135.713 -86.6744 235.533 PRESSAVG: 2639400 -12.8107 4.15103 -40.0414 4.15105 27.5997 17.7655 -40.0414 17.7657 3.57895 GPRESSAVG: 2639400 -12.3378 3.81063 -40.7467 4.20178 26.6718 17.2812 -39.8559 16.7849 4.45933 TIMING: 2639400 CPU: 8343.36, 0.00315075/step Wall: 8343.36, 0.00315075/step, 2.06602 hours remaining, 238.152344 MB of memory in use. ENERGY: 2639400 3980.3498 20592.7068 14441.6145 245.6411 -203146.0144 2444.1749 0.0000 0.0000 52196.5818 -109244.9455 299.9745 -161441.5273 -108885.7720 300.2962 -29.5914 5.8888 759369.2746 6.1227 6.2644 PRESSURE: 2639600 132.941 160.142 -268.11 160.142 -47.0287 -81.5225 -268.11 -81.5242 12.5263 GPRESSURE: 2639600 106.154 171.892 -303.418 169.732 54.9119 -51.4079 -126.953 7.5556 10.3257 PRESSAVG: 2639600 -23.1618 -10.9694 -39.0557 -10.9693 -14.3847 20.8239 -39.0558 20.8239 -29.6453 GPRESSAVG: 2639600 -24.1421 -11.2808 -39.283 -11.0664 -15.2467 19.7946 -40.7696 21.7337 -28.3983 TIMING: 2639600 CPU: 8344, 0.00318477/step Wall: 8344, 0.00318477/step, 2.08815 hours remaining, 238.152344 MB of memory in use. ENERGY: 2639600 3919.5806 20573.7824 14482.7194 268.2457 -203040.9809 2265.7076 0.0000 0.0000 52123.3697 -109407.5756 299.5537 -161530.9453 -109045.1190 299.9038 32.8129 57.1305 760524.9198 -22.3973 -22.5957 PRESSURE: 2639800 138.927 -139.243 96.6946 -139.241 -139.418 42.6031 96.6944 42.6038 -76.6875 GPRESSURE: 2639800 172.051 -186.621 151.962 -115.344 -110.068 -14.5378 -3.25108 71.0206 -65.8241 PRESSAVG: 2639800 -38.2491 -0.746582 -15.9782 -0.746559 14.3419 10.4948 -15.9782 10.4949 8.35772 GPRESSAVG: 2639800 -37.9273 -1.04959 -16.5738 -1.02181 14.4996 11.7093 -14.9055 11.9439 7.86531 TIMING: 2639800 CPU: 8344.63, 0.00316293/step Wall: 8344.63, 0.00316293/step, 2.07365 hours remaining, 238.152344 MB of memory in use. ENERGY: 2639800 3989.8088 20429.7169 14482.3677 279.9886 -203310.9780 2493.4831 0.0000 0.0000 52218.2237 -109417.3893 300.0988 -161635.6130 -109057.4379 299.6195 -25.7262 -1.2803 761634.6925 -5.1832 -5.1875 PRESSURE: 2640000 207.32 -110.842 -10.9564 -110.842 86.2312 -120.505 -10.9562 -120.505 60.0775 GPRESSURE: 2640000 245.048 -151.987 83.1398 -83.9215 153.317 -172.497 4.65329 -112.732 37.9021 PRESSAVG: 2640000 29.7962 -15.8969 41.2878 -15.897 7.19163 19.4027 41.2878 19.4027 -9.14187 GPRESSAVG: 2640000 29.4833 -14.0205 42.1281 -16.8215 7.9526 17.5221 41.4758 18.4281 -9.55302 TIMING: 2640000 CPU: 8345.27, 0.00316815/step Wall: 8345.27, 0.00316815/step, 2.0769 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2640000 3975.4069 20664.6925 14467.3740 236.2936 -203341.9592 2455.6754 0.0000 0.0000 52017.7494 -109524.7674 298.9467 -161542.5167 -109169.2390 299.1305 117.8762 145.4224 760636.2490 9.2820 9.2943 PRESSURE: 2640200 546.606 1.69674 95.7065 1.69713 -32.596 61.3949 95.7059 61.3935 113.161 GPRESSURE: 2640200 534.72 -29.9496 96.5515 107.418 62.7607 32.0609 101.662 -5.5267 100.342 PRESSAVG: 2640200 0.335558 -22.1378 4.28881 -22.1378 26.6452 48.8172 4.28881 48.8172 -33.267 GPRESSAVG: 2640200 -0.221899 -25.1112 6.14475 -21.4985 27.5707 49.0152 3.00842 48.527 -34.312 TIMING: 2640200 CPU: 8345.9, 0.0031788/step Wall: 8345.9, 0.0031788/step, 2.0837 hours remaining, 238.152344 MB of memory in use. ENERGY: 2640200 3968.1829 20509.9466 14503.4142 232.4416 -203590.3961 2656.6200 0.0000 0.0000 52288.8080 -109430.9828 300.5045 -161719.7908 -109066.3513 299.2167 209.0571 232.6075 759914.6423 -2.0954 -2.3211 LDB: ============= START OF LOAD BALANCING ============== 8358.3 LDB: ============== END OF LOAD BALANCING =============== 8358.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8358.3 LDB: ============= START OF LOAD BALANCING ============== 8358.62 LDB: Largest compute 7058 load 0.037565 is 19.2% of average load 0.196040 LDB: Average compute 0.004379 is 2.2% of average load 0.196040 LDB: TIME 8358.62 LOAD: AVG 0.19604 MAX 0.215442 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 8358.62 LOAD: AVG 0.19604 MAX 0.215442 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.742 MB LDB: TIME 8358.62 LOAD: AVG 0.19604 MAX 0.215442 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8358.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8358.63 PRESSURE: 2640400 -118.577 229.368 22.3042 229.369 212.316 -223.737 22.3048 -223.738 496.284 GPRESSURE: 2640400 -54.9258 178.694 40.0056 160.274 202.905 -250.408 2.37541 -168.759 527.982 PRESSAVG: 2640400 29.0305 16.8559 -41.3324 16.8559 0.846792 26.2595 -41.3325 26.2596 -6.90794 GPRESSAVG: 2640400 29.464 19.9087 -41.7188 16.7048 0.127007 26.3065 -43.9457 27.1811 -6.49289 TIMING: 2640400 CPU: 8346.55, 0.00322988/step Wall: 8346.55, 0.00322988/step, 2.11701 hours remaining, 239.183594 MB of memory in use. ENERGY: 2640400 3963.4155 20472.8751 14434.4224 233.8248 -203511.7497 2611.0679 0.0000 0.0000 52338.5379 -109457.6061 300.7903 -161796.1440 -109082.3316 300.3269 196.6745 225.3204 759773.6729 7.6564 7.6994 PRESSURE: 2640600 208.229 -100.229 -150.149 -100.229 -80.8125 -167.477 -150.149 -167.477 -284.592 GPRESSURE: 2640600 148.667 -9.42997 -241.428 -241.711 25.2272 -147.836 -160.32 -50.4971 -209.028 PRESSAVG: 2640600 -3.51815 7.34047 -16.9009 7.34046 3.27638 -6.74738 -16.9009 -6.74737 -3.3819 GPRESSAVG: 2640600 -3.49231 4.39199 -19.78 6.55378 4.21325 -5.86444 -12.0771 -7.56492 -4.05567 TIMING: 2640600 CPU: 8347.18, 0.00316915/step Wall: 8347.18, 0.00316915/step, 2.07702 hours remaining, 239.183594 MB of memory in use. ENERGY: 2640600 4059.3594 20562.6420 14505.1637 253.3040 -202933.0756 2188.5932 0.0000 0.0000 52087.7444 -109276.2688 299.3490 -161364.0133 -108907.9730 299.3473 -52.3915 -11.7113 759956.2453 -1.2079 -1.1116 PRESSURE: 2640800 245.252 256.422 63.28 256.421 -98.3478 174.596 63.2804 174.595 -39.2861 GPRESSURE: 2640800 191.722 189.989 85.6855 334.907 -23.4514 118.672 22.6959 224.058 4.97902 PRESSAVG: 2640800 26.1633 0.761918 -19.9576 0.76188 4.2136 23.6684 -19.9577 23.6685 -7.07027 GPRESSAVG: 2640800 25.9316 2.49746 -19.5755 1.19108 3.72816 23.6234 -19.4017 24.7065 -5.99779 TIMING: 2640800 CPU: 8347.82, 0.00315662/step Wall: 8347.82, 0.00315662/step, 2.06864 hours remaining, 239.183594 MB of memory in use. ENERGY: 2640800 4044.2657 20467.3641 14498.5200 243.9037 -203315.1526 2473.9801 0.0000 0.0000 52276.7281 -109310.3909 300.4351 -161587.1190 -108948.3505 299.9548 35.8728 57.7500 759159.5126 7.7689 7.8873 PRESSURE: 2641000 -51.9571 -94.8943 131.886 -94.8951 101.682 41.1294 131.887 41.1296 586.393 GPRESSURE: 2641000 -34.0388 -142.905 108.928 -56.3627 156.339 -64.1813 198.814 160.821 594.935 PRESSAVG: 2641000 4.88925 28.9011 -9.16139 28.9011 15.1105 23.76 -9.1614 23.7601 2.52486 GPRESSAVG: 2641000 5.76932 26.5626 -8.41421 28.6801 14.1829 23.6486 -10.8497 23.0714 2.67225 TIMING: 2641000 CPU: 8348.45, 0.00319245/step Wall: 8348.45, 0.00319245/step, 2.09194 hours remaining, 239.183594 MB of memory in use. ENERGY: 2641000 3911.6844 20585.1979 14464.1305 271.6157 -203528.2228 2776.3390 0.0000 0.0000 52124.0719 -109395.1834 299.5578 -161519.2553 -109029.3630 300.2957 212.0396 239.0784 761060.5894 7.5082 7.5415 PRESSURE: 2641200 -96.2835 -154.048 -90.0528 -154.047 -4.64844 -67.0133 -90.054 -67.0125 30.1751 GPRESSURE: 2641200 -121.835 -124.58 -182.557 -42.2567 57.7567 -101.619 -104.101 -163.002 70.7811 PRESSAVG: 2641200 -24.1259 -47.5775 21.6825 -47.5775 25.563 -36.3684 21.6824 -36.3684 -6.65079 GPRESSAVG: 2641200 -24.1352 -48.3406 20.7574 -45.2544 26.4169 -35.1057 20.4927 -37.3523 -7.14878 TIMING: 2641200 CPU: 8349.09, 0.00315935/step Wall: 8349.09, 0.00315935/step, 2.07008 hours remaining, 239.183594 MB of memory in use. ENERGY: 2641200 4062.0930 20504.8305 14459.4941 265.1231 -203505.3666 2533.5434 0.0000 0.0000 52368.0375 -109312.2449 300.9598 -161680.2824 -108942.9355 299.6163 -23.5856 2.2341 760807.9620 -1.7379 -1.6224 PRESSURE: 2641400 -336.8 -8.26889 -191.39 -8.26992 -67.8521 -77.1137 -191.39 -77.1125 -16.2711 GPRESSURE: 2641400 -249.511 -121.446 -217.318 33.6765 -69.729 -61.5249 -136.879 -116.315 -25.4301 PRESSAVG: 2641400 -64.8761 -39.886 -10.6257 -39.8859 51.5503 -16.8383 -10.6257 -16.8383 -8.97379 GPRESSAVG: 2641400 -63.3937 -36.5948 -10.2843 -41.3193 50.5446 -19.0858 -10.5164 -17.5215 -10.0941 TIMING: 2641400 CPU: 8349.72, 0.00315855/step Wall: 8349.72, 0.00315855/step, 2.06938 hours remaining, 239.183594 MB of memory in use. ENERGY: 2641400 3988.5346 20555.9910 14463.3278 225.7140 -203253.9968 2565.2271 0.0000 0.0000 52136.8842 -109318.3181 299.6314 -161455.2023 -108951.7007 299.7237 -140.3078 -114.8901 758532.9731 -7.4332 -7.6478 PRESSURE: 2641600 -337.979 48.7206 32.4674 48.7202 -400.41 -93.6707 32.4671 -93.6708 102.36 GPRESSURE: 2641600 -274.833 9.04538 -35.6064 -32.7723 -334.688 -14.2341 -48.1017 -130.285 66.2249 PRESSAVG: 2641600 0.0104865 -44.7423 29.5194 -44.7423 45.0616 -0.253417 29.5194 -0.253393 -20.7446 GPRESSAVG: 2641600 -2.10671 -46.3189 29.1568 -45.3779 44.9912 0.976228 29.4792 0.884063 -18.5864 TIMING: 2641600 CPU: 8350.35, 0.00316358/step Wall: 8350.35, 0.00316358/step, 2.0725 hours remaining, 239.183594 MB of memory in use. ENERGY: 2641600 3961.8777 20499.3813 14398.7561 254.6375 -202996.4826 2205.6172 0.0000 0.0000 52157.1981 -109519.0147 299.7481 -161676.2128 -109142.7613 299.3805 -212.0096 -181.0987 759901.9229 8.1092 8.0994 PRESSURE: 2641800 -131.015 -41.2909 167.634 -41.2912 -239.999 142.741 167.634 142.741 71.6748 GPRESSURE: 2641800 -139.06 7.00689 18.8478 -58.044 -195.693 98.7059 233.91 88.7984 114.533 PRESSAVG: 2641800 -25.4316 -96.643 -47.7066 -96.643 61.6123 8.76274 -47.7065 8.76273 -2.40855 GPRESSAVG: 2641800 -25.7426 -96.1099 -47.1642 -95.3609 61.7975 8.67789 -44.5257 8.23079 -2.42296 TIMING: 2641800 CPU: 8350.99, 0.00317614/step Wall: 8350.99, 0.00317614/step, 2.08055 hours remaining, 239.183594 MB of memory in use. ENERGY: 2641800 4025.4557 20510.9883 14474.9791 242.5932 -202893.3919 2159.2154 0.0000 0.0000 51907.8732 -109572.2869 298.3153 -161480.1601 -109217.3780 299.4079 -99.7797 -73.4065 760470.3742 11.2574 11.2106 PRESSURE: 2642000 -189.135 -178.198 -101.353 -178.199 152.438 -174.505 -101.354 -174.504 387.962 GPRESSURE: 2642000 -144.011 -112.161 -140.421 -91.4656 229.446 -157.759 -107.148 -161.5 347.993 PRESSAVG: 2642000 -3.37665 -4.16441 30.253 -4.16444 1.27631 9.49929 30.253 9.49929 -7.74884 GPRESSAVG: 2642000 -1.72729 -3.2212 30.2668 -2.72288 1.14217 7.66732 26.6789 10.0297 -8.86619 TIMING: 2642000 CPU: 8351.62, 0.0031737/step Wall: 8351.62, 0.0031737/step, 2.07877 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2642000 3982.4817 20644.8518 14429.0046 239.7726 -203070.2375 2304.6681 0.0000 0.0000 51939.4868 -109529.9720 298.4969 -161469.4587 -109174.3506 299.7470 117.0886 144.4759 760659.4116 -3.2831 -3.1504 PRESSURE: 2642200 289.038 13.2315 209.243 13.2317 266.734 -92.4583 209.243 -92.4582 278.422 GPRESSURE: 2642200 308.321 -49.8121 198.392 -110.673 319.511 -102.999 103.051 -69.2575 319.812 PRESSAVG: 2642200 33.8705 -45.3625 23.269 -45.3626 -6.87682 -20.014 23.269 -20.014 -2.36273 GPRESSAVG: 2642200 33.2676 -47.0794 23.7719 -45.2461 -6.97661 -19.3561 25.0718 -20.544 -1.4168 TIMING: 2642200 CPU: 8352.25, 0.00317287/step Wall: 8352.25, 0.00317287/step, 2.07805 hours remaining, 239.183594 MB of memory in use. ENERGY: 2642200 3985.5446 20463.6581 14350.2704 258.4533 -203475.5063 2770.8283 0.0000 0.0000 52096.3664 -109550.3851 299.3985 -161646.7516 -109191.1346 299.1513 278.0647 315.8813 760189.4509 8.2103 8.2914 PRESSURE: 2642400 240.258 65.9764 19.1003 65.9765 -221.778 111.28 19.1001 111.28 229.237 GPRESSURE: 2642400 262.834 -15.4512 12.3453 36.0156 -128.314 78.3982 -25.5426 66.0569 186.458 PRESSAVG: 2642400 21.813 -70.0021 15.7848 -70.0021 -13.5372 57.5846 15.7848 57.5846 -0.959371 GPRESSAVG: 2642400 22.3943 -69.6118 15.9371 -71.463 -14.9652 57.6036 13.307 59.6815 -0.184263 TIMING: 2642400 CPU: 8352.89, 0.00315632/step Wall: 8352.89, 0.00315632/step, 2.06704 hours remaining, 239.183594 MB of memory in use. ENERGY: 2642400 3997.1478 20336.2875 14453.9193 253.6614 -203191.3336 2531.3475 0.0000 0.0000 52117.7304 -109501.2397 299.5213 -161618.9701 -109141.5073 298.8598 82.5724 106.9925 760878.9416 2.4388 2.4149 PRESSURE: 2642600 -107.704 123.586 82.6649 123.586 -172.226 -164.936 82.6646 -164.936 13.6125 GPRESSURE: 2642600 -96.5912 57.0607 24.0422 162.555 -82.4184 -130.553 57.9275 -127.078 -16.8395 PRESSAVG: 2642600 48.6871 -16.6261 55.35 -16.6261 -18.9225 -14.4073 55.35 -14.4073 13.561 GPRESSAVG: 2642600 47.4835 -16.2289 55.3276 -16.053 -17.1401 -13.6227 56.4733 -15.282 12.2814 TIMING: 2642600 CPU: 8353.52, 0.00317889/step Wall: 8353.52, 0.00317889/step, 2.08164 hours remaining, 239.183594 MB of memory in use. ENERGY: 2642600 3970.9062 20446.4772 14450.1896 240.4305 -202886.9886 2138.6910 0.0000 0.0000 52113.7125 -109526.5816 299.4982 -161640.2941 -109156.1884 299.2277 -88.7726 -65.2831 759830.3770 14.4419 14.2082 PRESSURE: 2642800 -300.572 -242.666 158.92 -242.666 -218.338 -23.2127 158.921 -23.2133 17.8907 GPRESSURE: 2642800 -212.391 -222.983 190.801 -255.251 -228.35 -75.4784 148.356 56.9046 9.21349 PRESSAVG: 2642800 42.3995 -23.8513 20.8078 -23.8513 -67.4035 -23.764 20.8078 -23.7641 11.9406 GPRESSAVG: 2642800 42.8547 -24.5171 20.3555 -23.1225 -68.8115 -23.7078 18.9501 -24.6196 12.4868 TIMING: 2642800 CPU: 8354.16, 0.00318617/step Wall: 8354.16, 0.00318617/step, 2.08623 hours remaining, 239.183594 MB of memory in use. ENERGY: 2642800 3911.8810 20353.1492 14500.3198 267.4052 -202719.2942 2168.5589 0.0000 0.0000 51823.1207 -109694.8594 297.8282 -161517.9801 -109342.4451 298.9543 -167.0065 -143.8423 759956.3253 -4.3545 -4.4900 PRESSURE: 2643000 308.488 -154.57 238.2 -154.57 -10.1771 109.373 238.199 109.373 253.962 GPRESSURE: 2643000 296.316 -161.11 251.883 -85.7496 54.6644 34.7021 103.627 152.434 291.084 PRESSAVG: 2643000 51.3703 -64.3009 8.73952 -64.3009 -48.969 -7.101 8.73952 -7.10093 10.0512 GPRESSAVG: 2643000 49.6603 -63.7426 10.8199 -63.9564 -47.3938 -5.8762 11.9439 -8.6365 10.734 TIMING: 2643000 CPU: 8354.79, 0.00315722/step Wall: 8354.79, 0.00315723/step, 2.06711 hours remaining, 239.183594 MB of memory in use. ENERGY: 2643000 3903.0883 20536.8336 14421.8302 245.1286 -203074.8063 2426.9344 0.0000 0.0000 51957.5287 -109583.4625 298.6006 -161540.9912 -109215.7365 299.3051 184.0911 214.0216 759140.2866 4.1508 4.3335 PRESSURE: 2643200 -217.953 -105.639 27.1321 -105.638 -297.41 12.6724 27.1324 12.6724 56.7037 GPRESSURE: 2643200 -210.384 -154.607 -76.7023 -59.1213 -254.987 14.2361 -74.6035 -69.1315 92.1659 PRESSAVG: 2643200 67.0654 -34.6662 33.5551 -34.6661 -31.1436 -44.7835 33.555 -44.7836 20.7998 GPRESSAVG: 2643200 67.4279 -33.2133 29.9888 -36.3948 -31.7771 -47.106 32.7063 -42.9528 21.05 TIMING: 2643200 CPU: 8355.42, 0.00315685/step Wall: 8355.42, 0.00315685/step, 2.06668 hours remaining, 239.183594 MB of memory in use. ENERGY: 2643200 4070.3905 20551.0261 14441.4677 264.3330 -203502.2907 2514.3408 0.0000 0.0000 52067.6146 -109593.1180 299.2333 -161660.7326 -109236.4519 299.3932 -152.8863 -124.4018 759469.1988 18.9072 18.9003 PRESSURE: 2643400 -113.744 203.346 -22.6766 203.347 44.0286 162.13 -22.6767 162.13 -252.633 GPRESSURE: 2643400 -140.66 120.25 -36.6379 91.027 106.267 125.316 141.813 118.632 -192.038 PRESSAVG: 2643400 17.0993 -6.52697 -16.6027 -6.52701 -45.5258 -30.0968 -16.6027 -30.0968 19.3452 GPRESSAVG: 2643400 16.6445 -8.1887 -14.1397 -6.83331 -44.6417 -29.1375 -17.2821 -29.412 18.893 TIMING: 2643400 CPU: 8356.05, 0.00314766/step Wall: 8356.05, 0.00314766/step, 2.06049 hours remaining, 239.183594 MB of memory in use. ENERGY: 2643400 4049.8519 20416.6010 14429.3835 255.9142 -203198.8269 2401.9717 0.0000 0.0000 52235.2348 -109409.8699 300.1966 -161645.1046 -109043.1440 299.9837 -107.4497 -75.4768 758397.7185 -3.0271 -3.0347 PRESSURE: 2643600 -626.196 -111.451 -171.267 -111.451 -130.903 96.7924 -171.266 96.7929 -232.442 GPRESSURE: 2643600 -556.454 -139.877 -196.101 -14.3085 -140.583 27.9241 -275.633 73.3531 -217.658 PRESSAVG: 2643600 25.3731 -0.833386 -5.39492 -0.833395 -10.5977 -43.6242 -5.39496 -43.6242 -3.28291 GPRESSAVG: 2643600 27.8771 -0.687623 -7.36397 0.89471 -12.2014 -43.3999 -7.06219 -43.5956 -4.24974 TIMING: 2643600 CPU: 8356.68, 0.00314989/step Wall: 8356.68, 0.00314989/step, 2.06178 hours remaining, 239.183594 MB of memory in use. ENERGY: 2643600 4033.8346 20467.1358 14477.0381 261.7817 -203731.3418 2638.2147 0.0000 0.0000 52369.8368 -109483.5001 300.9702 -161853.3369 -109112.1215 300.1535 -329.8470 -304.8982 759910.2122 3.8308 3.8087 PRESSURE: 2643800 -126.682 81.8671 113.41 81.8678 89.7574 -229.725 113.41 -229.725 -278.692 GPRESSURE: 2643800 -90.5002 72.0588 90.7283 7.31579 106.863 -291.484 107.258 -251.089 -245.592 PRESSAVG: 2643800 68.0456 -31.8104 -1.41605 -31.8103 -96.0618 -21.8307 -1.41602 -21.8307 -5.80739 GPRESSAVG: 2643800 67.5232 -31.6732 1.74363 -31.252 -95.4741 -20.8104 0.0580118 -24.5054 -5.85024 TIMING: 2643800 CPU: 8357.32, 0.00317697/step Wall: 8357.32, 0.00317697/step, 2.07933 hours remaining, 239.183594 MB of memory in use. ENERGY: 2643800 4002.1236 20594.9579 14452.3200 223.9144 -203112.9181 2278.4415 0.0000 0.0000 52238.3924 -109322.7684 300.2148 -161561.1608 -108966.3349 300.0248 -105.2054 -76.4097 760809.4674 -11.2745 -11.2670 PRESSURE: 2644000 -196.391 -48.6048 118.629 -48.6057 223.252 -110.386 118.628 -110.386 88.6925 GPRESSURE: 2644000 -214.364 -103.836 -0.288158 -137.987 376.893 -141.311 175.249 17.1028 35.7396 PRESSAVG: 2644000 5.98724 -24.151 30.5953 -24.151 -32.9597 -3.71147 30.5953 -3.71141 -11.3672 GPRESSAVG: 2644000 6.37945 -25.1453 29.0026 -25.3966 -32.8222 -3.68421 31.8991 -2.20821 -11.6779 TIMING: 2644000 CPU: 8357.95, 0.003177/step Wall: 8357.95, 0.003177/step, 2.07917 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2644000 4001.5814 20345.7150 14456.9358 243.6231 -203046.4560 2305.0839 0.0000 0.0000 52210.6735 -109482.8432 300.0555 -161693.5168 -109113.3377 299.4632 38.5179 66.0896 760617.7960 -12.7799 -12.7069 PRESSURE: 2644200 -137.168 39.1406 97.919 39.1403 -83.1665 -5.20207 97.9198 -5.20194 378.266 GPRESSURE: 2644200 -48.1301 109.866 111.244 -2.32043 -36.423 5.01686 17.3527 50.1444 334.682 PRESSAVG: 2644200 7.07723 -62.4842 11.672 -62.4842 25.7662 -21.9197 11.6721 -21.9197 3.30766 GPRESSAVG: 2644200 5.59949 -62.9788 13.4837 -62.1198 26.8195 -23.3131 9.66893 -21.2774 3.53437 TIMING: 2644200 CPU: 8358.59, 0.00318279/step Wall: 8358.59, 0.00318279/step, 2.08278 hours remaining, 239.183594 MB of memory in use. ENERGY: 2644200 4005.2772 20465.6129 14519.3631 258.1364 -203086.1542 2311.0171 0.0000 0.0000 51992.5057 -109534.2418 298.8016 -161526.7475 -109170.4354 299.7951 52.6440 83.3762 759834.9650 12.0504 11.9844 LDB: ============= START OF LOAD BALANCING ============== 8370.99 LDB: ============== END OF LOAD BALANCING =============== 8370.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8370.99 LDB: ============= START OF LOAD BALANCING ============== 8371.31 LDB: Largest compute 7058 load 0.038316 is 19.6% of average load 0.195929 LDB: Average compute 0.004398 is 2.2% of average load 0.195929 LDB: TIME 8371.31 LOAD: AVG 0.195929 MAX 0.218088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 8371.31 LOAD: AVG 0.195929 MAX 0.218088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 8371.31 LOAD: AVG 0.195929 MAX 0.218088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 8371.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8371.32 PRESSURE: 2644400 -201.138 149.855 55.7237 149.856 -395.048 4.63885 55.7247 4.63898 -96.9365 GPRESSURE: 2644400 -202.752 128.005 89.7389 95.9635 -312.768 7.87256 106.309 -104.494 -82.5076 PRESSAVG: 2644400 38.3515 -2.16055 31.9024 -2.16052 2.59468 1.43216 31.9024 1.43216 5.32987 GPRESSAVG: 2644400 37.4545 -1.69725 30.3032 -2.39673 3.2297 1.48516 33.9366 1.8645 5.71353 TIMING: 2644400 CPU: 8359.24, 0.0032376/step Wall: 8359.24, 0.0032376/step, 2.11847 hours remaining, 239.125000 MB of memory in use. ENERGY: 2644400 4027.3788 20463.5868 14446.0953 224.4163 -202883.7620 2202.0895 0.0000 0.0000 52201.0113 -109319.1840 299.9999 -161520.1953 -108965.0655 299.4770 -231.0409 -199.3426 761011.7267 15.4253 15.4659 PRESSURE: 2644600 -402.511 -131.144 -61.6258 -131.143 -73.5768 92.6187 -61.6256 92.6184 112.257 GPRESSURE: 2644600 -359.487 -185.379 -50.0356 -99.309 -33.708 87.2443 -108.534 157.184 103.982 PRESSAVG: 2644600 2.26837 -37.265 11.915 -37.2649 -12.0435 -50.0022 11.9151 -50.0021 18.1267 GPRESSAVG: 2644600 2.57858 -34.6945 12.6551 -37.3663 -12.1618 -49.1091 9.01471 -49.1147 17.9206 TIMING: 2644600 CPU: 8359.87, 0.00315267/step Wall: 8359.87, 0.00315266/step, 2.06272 hours remaining, 239.328125 MB of memory in use. ENERGY: 2644600 3986.7172 20535.2889 14473.9373 237.5631 -202539.2812 1936.6246 0.0000 0.0000 52007.8542 -109361.2958 298.8899 -161369.1500 -108996.9032 300.1209 -121.2768 -96.4043 760241.4668 2.7839 2.7791 PRESSURE: 2644800 -474.701 177.908 -246.826 177.908 -424.827 388.829 -246.827 388.831 60.4836 GPRESSURE: 2644800 -392.756 205.367 -271.702 158.097 -359.936 307.104 -274.314 216.851 -5.14145 PRESSAVG: 2644800 6.073 -7.73713 15.6311 -7.73722 -19.0643 -59.0306 15.6312 -59.0305 -7.37811 GPRESSAVG: 2644800 7.39541 -8.53293 15.2686 -6.09224 -19.3161 -59.219 15.5706 -60.5262 -8.11789 TIMING: 2644800 CPU: 8360.5, 0.00317323/step Wall: 8360.5, 0.00317323/step, 2.076 hours remaining, 239.328125 MB of memory in use. ENERGY: 2644800 3957.2009 20424.5004 14434.0891 258.3422 -202612.0027 2141.6630 0.0000 0.0000 52023.5098 -109372.6973 298.9798 -161396.2071 -109017.9980 299.5074 -279.6816 -252.6113 762596.5926 -6.7898 -6.6795 PRESSURE: 2645000 -383.72 -29.3137 249.644 -29.3129 -161.668 -117.458 249.645 -117.459 -405.416 GPRESSURE: 2645000 -236.027 51.8637 249.108 12.8825 -278.624 -144.933 301.553 -164.776 -373.798 PRESSAVG: 2645000 -16.4227 -55.5423 31.8197 -55.5423 25.9738 21.6798 31.8197 21.6798 -10.5994 GPRESSAVG: 2645000 -18.2459 -55.0818 32.8464 -56.2553 25.9363 21.7904 34.0142 22.1298 -9.35276 TIMING: 2645000 CPU: 8361.13, 0.00315274/step Wall: 8361.13, 0.00315274/step, 2.06242 hours remaining, 239.328125 MB of memory in use. ENERGY: 2645000 3979.9432 20596.8354 14420.3307 243.5501 -203195.6734 2351.0801 0.0000 0.0000 52231.0830 -109372.8510 300.1728 -161603.9339 -109010.7315 299.5039 -316.9348 -296.1499 763256.2826 -0.3494 -0.5541 PRESSURE: 2645200 423.633 -7.85749 -74.6261 -7.85807 170.225 -31.982 -74.6258 -31.9822 -288.104 GPRESSURE: 2645200 497.705 -141.686 -76.4784 -115.155 178.817 -68.7802 -69.4242 -189.782 -276.732 PRESSAVG: 2645200 -13.1843 -49.1986 13.1535 -49.1986 58.2312 18.5793 13.1536 18.5794 -4.52604 GPRESSAVG: 2645200 -12.57 -52.4137 12.2379 -51.6698 57.7914 19.8045 12.3858 16.8505 -4.36266 TIMING: 2645200 CPU: 8361.77, 0.00318685/step Wall: 8361.77, 0.00318685/step, 2.08455 hours remaining, 239.328125 MB of memory in use. ENERGY: 2645200 3991.8254 20583.0581 14444.9190 251.2200 -203033.6208 2319.3503 0.0000 0.0000 52185.3271 -109257.9209 299.9098 -161443.2480 -108904.9241 299.8237 101.9179 133.2636 759866.8270 13.5069 13.6196 PRESSURE: 2645400 30.9864 -181.519 8.32523 -181.518 -141.573 -373.057 8.32594 -373.057 -148.902 GPRESSURE: 2645400 160.638 -201.194 -6.89236 -102.443 -129.75 -498.12 7.38633 -243.79 -201.453 PRESSAVG: 2645400 28.1523 -57.7354 30.1222 -57.7354 13.6663 -37.6144 30.1222 -37.6144 -14.479 GPRESSAVG: 2645400 27.6559 -57.0995 31.0507 -54.9809 14.9332 -40.0298 29.7645 -35.7406 -15.1368 TIMING: 2645400 CPU: 8362.4, 0.00316191/step Wall: 8362.4, 0.00316191/step, 2.06807 hours remaining, 239.328125 MB of memory in use. ENERGY: 2645400 3944.4758 20634.8397 14419.5067 230.3599 -203029.2157 2341.8097 0.0000 0.0000 52240.6382 -109217.5857 300.2277 -161458.2239 -108850.5257 299.9077 -86.4964 -56.8550 762647.2781 9.1132 9.1508 PRESSURE: 2645600 66.912 -280.067 266.397 -280.068 55.0286 -123.417 266.396 -123.416 303.987 GPRESSURE: 2645600 161.704 -96.5756 297.388 -295.703 60.0487 -149.438 165.28 -190.889 290.912 PRESSAVG: 2645600 -15.5735 -52.1696 -8.35479 -52.1696 36.56 -29.9087 -8.35482 -29.9087 -14.7942 GPRESSAVG: 2645600 -14.5427 -50.3297 -9.3427 -53.4297 35.5684 -29.8354 -7.33346 -29.6322 -15.1552 TIMING: 2645600 CPU: 8363.03, 0.00315665/step Wall: 8363.03, 0.00315665/step, 2.06445 hours remaining, 239.328125 MB of memory in use. ENERGY: 2645600 3981.3678 20507.8378 14429.8579 253.6918 -203095.2599 2384.3237 0.0000 0.0000 52344.9093 -109193.2716 300.8269 -161538.1809 -108832.7494 300.1447 141.9760 170.8884 761844.7522 2.0641 1.9568 PRESSURE: 2645800 -450.204 187.82 112.429 187.819 -120.16 65.8692 112.429 65.8688 -103.829 GPRESSURE: 2645800 -400.673 83.1272 64.0102 117.749 -15.5282 -11.084 78.1086 7.40277 -150.414 PRESSAVG: 2645800 -58.1637 -22.5158 12.948 -22.5159 12.6689 -45.7123 12.948 -45.7122 -33.0993 GPRESSAVG: 2645800 -59.0596 -24.7211 12.223 -22.888 13.255 -45.552 12.1781 -47.6293 -32.6366 TIMING: 2645800 CPU: 8363.67, 0.00316745/step Wall: 8363.67, 0.00316746/step, 2.07134 hours remaining, 239.328125 MB of memory in use. ENERGY: 2645800 3982.6715 20625.6920 14503.3197 244.4017 -203232.5529 2499.1462 0.0000 0.0000 52071.9360 -109305.3857 299.2581 -161377.3217 -108936.5804 299.8078 -224.7310 -188.8719 762784.4555 -26.1980 -26.1471 PRESSURE: 2646000 -54.3365 -116.528 -48.1123 -116.529 -64.0782 -123.486 -48.1127 -123.486 -308.419 GPRESSURE: 2646000 -29.9299 -76.942 -60.0549 -23.8519 -42.3461 -78.0638 60.7037 -38.7684 -277.144 PRESSAVG: 2646000 18.6911 -61.616 17.8022 -61.616 -6.84305 -30.1074 17.8023 -30.1074 -17.3608 GPRESSAVG: 2646000 17.6311 -60.8797 17.5134 -61.1125 -6.6743 -30.8049 18.2822 -29.4828 -16.4904 TIMING: 2646000 CPU: 8364.3, 0.00318527/step Wall: 8364.3, 0.00318527/step, 2.08281 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2646000 4033.4406 20460.2156 14453.9544 259.8819 -203332.4614 2557.2011 0.0000 0.0000 52490.7887 -109076.9791 301.6653 -161567.7678 -108710.8949 299.9380 -142.2779 -116.4734 760297.9957 -1.8376 -1.8445 PRESSURE: 2646200 84.9421 -48.5524 61.1904 -48.5522 201.042 -145.176 61.1901 -145.176 281.547 GPRESSURE: 2646200 177.594 -173.213 198.804 -28.8733 264.337 -161.222 -124.271 -96.7986 221.066 PRESSAVG: 2646200 19.9248 -22.9843 -10.4513 -22.9844 7.45255 -13.8214 -10.4513 -13.8214 12.1621 GPRESSAVG: 2646200 20.9699 -22.6561 -9.7711 -23.1903 6.25164 -11.8999 -7.53679 -12.6453 12.2972 TIMING: 2646200 CPU: 8364.94, 0.00316632/step Wall: 8364.94, 0.00316632/step, 2.07024 hours remaining, 239.328125 MB of memory in use. ENERGY: 2646200 4006.9933 20575.8660 14472.1050 263.9615 -203106.9645 2499.8988 0.0000 0.0000 52240.4707 -109047.6693 300.2267 -161288.1400 -108676.5403 300.6416 189.1772 220.9987 760838.9603 13.1798 13.1729 PRESSURE: 2646400 -355.355 -34.1772 95.7635 -34.1777 -225.213 -92.7876 95.7633 -92.788 15.5029 GPRESSURE: 2646400 -333.872 -122.322 150.348 20.1986 -153.796 -55.6676 -73.194 -184.045 20.3869 PRESSAVG: 2646400 -30.5625 -19.9336 -15.1618 -19.9336 2.39556 -22.4402 -15.1618 -22.4401 4.36211 GPRESSAVG: 2646400 -32.1104 -19.2654 -13.7054 -20.2123 4.70154 -23.9704 -18.8667 -24.3135 3.79066 TIMING: 2646400 CPU: 8365.57, 0.00314286/step Wall: 8365.57, 0.00314286/step, 2.05473 hours remaining, 239.328125 MB of memory in use. ENERGY: 2646400 4077.9311 20450.8880 14499.8359 261.2762 -203407.9067 2643.4121 0.0000 0.0000 52253.4703 -109221.0931 300.3014 -161474.5635 -108859.8074 300.4045 -188.3551 -155.7604 761544.2059 -7.9349 -7.8727 PRESSURE: 2646600 -105.203 46.311 102.255 46.3103 95.2694 -12.7401 102.254 -12.7403 -278.868 GPRESSURE: 2646600 -54.2524 -45.8745 124.229 8.65269 82.7326 -14.7813 223.696 16.4742 -240.812 PRESSAVG: 2646600 -49.8832 -2.7037 7.99262 -2.70362 37.7494 -55.029 7.9926 -55.0291 -6.64972 GPRESSAVG: 2646600 -48.7087 -4.70789 6.915 -2.8743 36.0038 -55.1401 10.7957 -52.6212 -6.0322 TIMING: 2646600 CPU: 8366.19, 0.00312818/step Wall: 8366.19, 0.00312818/step, 2.04496 hours remaining, 239.328125 MB of memory in use. ENERGY: 2646600 3994.7595 20633.7394 14482.8891 242.4652 -203361.8781 2482.1082 0.0000 0.0000 52116.8483 -109409.0684 299.5162 -161525.9167 -109038.2717 299.9391 -96.2671 -70.7771 760731.1783 -6.2612 -6.2457 PRESSURE: 2646800 -310.249 -160.676 1.09073 -160.677 -26.3214 164.094 1.09088 164.093 273.238 GPRESSURE: 2646800 -230.506 -152.589 5.04074 -108.849 -6.60398 181.869 -75.4034 178.454 238.58 PRESSAVG: 2646800 -32.885 -22.8998 -0.784254 -22.8997 25.103 -42.6582 -0.784271 -42.6581 -1.54852 GPRESSAVG: 2646800 -32.1009 -22.7743 -1.84691 -22.2975 24.606 -42.2517 -2.59384 -43.3308 -1.96892 TIMING: 2646800 CPU: 8366.82, 0.00315176/step Wall: 8366.82, 0.00315176/step, 2.0602 hours remaining, 239.328125 MB of memory in use. ENERGY: 2646800 4029.3576 20504.5944 14480.0703 265.7544 -203341.8141 2370.7492 0.0000 0.0000 52342.6928 -109348.5955 300.8142 -161691.2883 -108975.1763 299.6882 -21.1108 0.4902 759265.5992 -3.1102 -3.1546 PRESSURE: 2647000 186.758 95.0752 134.852 95.0757 -16.0827 -77.1239 134.852 -77.1236 -189.622 GPRESSURE: 2647000 163.911 101.056 131.127 211.315 92.408 -21.1927 230.472 -160.397 -206.401 PRESSAVG: 2647000 -21.9914 -17.6374 -11.2694 -17.6374 37.0639 -11.2096 -11.2693 -11.2095 -2.41713 GPRESSAVG: 2647000 -22.6035 -17.3225 -10.867 -15.7512 37.5269 -9.02044 -9.11774 -13.9345 -2.45224 TIMING: 2647000 CPU: 8367.45, 0.00316707/step Wall: 8367.45, 0.00316707/step, 2.07003 hours remaining, 239.328125 MB of memory in use. ENERGY: 2647000 4078.4730 20435.8202 14446.5682 275.1435 -203638.9245 2733.1636 0.0000 0.0000 52277.1500 -109392.6060 300.4375 -161669.7559 -109029.6844 300.0717 -6.3155 16.6395 759631.3036 4.2185 4.1570 PRESSURE: 2647200 228.034 82.0003 284.697 82.0004 -54.0874 41.1081 284.697 41.1078 353.181 GPRESSURE: 2647200 159.434 -20.6416 269.411 150.381 78.7205 76.3582 205.364 51.8969 353.587 PRESSAVG: 2647200 -10.433 -26.6073 32.422 -26.6073 26.3633 -15.3227 32.4221 -15.3227 -0.336325 GPRESSAVG: 2647200 -11.535 -26.678 33.7074 -28.2923 26.1763 -17.9997 31.0751 -15.6535 -0.484166 TIMING: 2647200 CPU: 8368.08, 0.00314074/step Wall: 8368.08, 0.00314074/step, 2.05265 hours remaining, 239.328125 MB of memory in use. ENERGY: 2647200 3970.3135 20618.1501 14372.9557 237.8901 -203497.8001 2612.8548 0.0000 0.0000 52223.1747 -109462.4611 300.1273 -161685.6359 -109099.7976 300.1375 175.7093 197.2470 759802.9152 5.1980 4.7190 PRESSURE: 2647400 97.3687 -195.169 58.6982 -195.169 -177.987 -290.797 58.6976 -290.797 93.2254 GPRESSURE: 2647400 152.502 -118.957 57.9167 -138.266 -103.678 -281.072 94.5542 -216.584 51.9223 PRESSAVG: 2647400 53.9277 2.98383 31.3058 2.98386 -4.70978 -15.5264 31.3058 -15.5263 8.1523 GPRESSAVG: 2647400 53.8143 5.85749 31.259 1.66888 -4.46464 -13.9858 31.7693 -15.7 7.69804 TIMING: 2647400 CPU: 8368.72, 0.00317195/step Wall: 8368.72, 0.00317195/step, 2.07287 hours remaining, 239.328125 MB of memory in use. ENERGY: 2647400 3916.9630 20578.0665 14504.8549 268.7755 -203455.0190 2520.1946 0.0000 0.0000 52485.0777 -109181.0868 301.6325 -161666.1645 -108813.1982 300.4814 4.2025 33.5820 760125.2043 19.1234 19.0159 PRESSURE: 2647600 -333.007 -120.278 -117.241 -120.277 -145.742 67.9285 -117.241 67.9288 203.427 GPRESSURE: 2647600 -207.958 -123.434 -93.192 -133.74 -169.579 39.3216 -112.472 140.572 180.788 PRESSAVG: 2647600 4.89686 -20.9445 27.2215 -20.9446 -3.85694 -8.66311 27.2214 -8.66314 15.6984 GPRESSAVG: 2647600 5.00251 -22.8491 25.8893 -21.0779 -4.71627 -8.08698 26.7765 -5.0612 16.4313 TIMING: 2647600 CPU: 8369.35, 0.00318182/step Wall: 8369.35, 0.00318182/step, 2.07915 hours remaining, 239.328125 MB of memory in use. ENERGY: 2647600 3982.0050 20658.8369 14425.0778 245.3351 -203310.3543 2388.0367 0.0000 0.0000 52124.2128 -109486.8499 299.5586 -161611.0627 -109127.2965 300.3713 -91.7743 -65.5829 760526.4189 5.5794 5.5725 PRESSURE: 2647800 201.591 86.1936 -8.16757 86.1937 41.0345 36.5716 -8.16734 36.5711 357.562 GPRESSURE: 2647800 233.321 4.2192 -142.496 96.6168 178.172 0.601953 25.4908 -8.82929 295.67 PRESSAVG: 2647800 -58.4506 -73.5795 20.8697 -73.5795 31.7871 -0.544037 20.8697 -0.544028 16.3789 GPRESSAVG: 2647800 -58.4504 -75.0706 19.0592 -69.9848 31.8529 -2.11796 22.3105 -1.82096 16.6046 TIMING: 2647800 CPU: 8369.99, 0.00317347/step Wall: 8369.99, 0.00317347/step, 2.07351 hours remaining, 239.328125 MB of memory in use. ENERGY: 2647800 3942.5969 20497.7835 14461.1935 241.2512 -203141.6929 2517.5815 0.0000 0.0000 51954.4952 -109526.7911 298.5832 -161481.2863 -109170.9114 299.7267 200.0624 235.7210 758399.1465 -3.4282 -3.3310 PRESSURE: 2648000 -116.379 -187.956 274.42 -187.956 -90.8168 4.23434 274.42 4.23477 -142.672 GPRESSURE: 2648000 -48.4922 -175.386 133.471 -138.902 -18.9881 -62.3371 310.43 27.5032 -180.039 PRESSAVG: 2648000 -23.1894 -46.5715 13.8387 -46.5716 0.0334268 -19.2133 13.8387 -19.2133 -9.02194 GPRESSAVG: 2648000 -21.4612 -44.7933 15.67 -48.7295 -0.0891126 -20.425 11.8983 -20.1623 -10.1571 TIMING: 2648000 CPU: 8370.62, 0.00317542/step Wall: 8370.62, 0.00317542/step, 2.07461 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2648000 4002.8536 20480.6246 14405.7653 254.5542 -203165.4400 2322.5579 0.0000 0.0000 52049.7310 -109649.3534 299.1305 -161699.0845 -109300.9676 299.0958 -116.6225 -82.5065 761090.4488 -10.7260 -10.5691 PRESSURE: 2648200 -273.396 58.2735 66.6786 58.2724 -11.168 37.5751 66.6778 37.5759 16.8155 GPRESSURE: 2648200 -197.317 -12.0662 160.661 99.8156 -0.649426 21.4939 28.1845 183.927 7.49658 PRESSAVG: 2648200 30.22 -81.7532 44.9691 -81.7532 8.4791 -19.9453 44.9691 -19.9454 0.788682 GPRESSAVG: 2648200 29.8409 -81.8408 45.5747 -81.6685 7.8905 -19.8388 47.4785 -18.3215 2.1951 TIMING: 2648200 CPU: 8371.25, 0.00315202/step Wall: 8371.25, 0.00315202/step, 2.05914 hours remaining, 239.328125 MB of memory in use. ENERGY: 2648200 3931.6431 20516.3605 14441.8706 248.0910 -202909.7974 2408.9568 0.0000 0.0000 51947.0069 -109415.8684 298.5402 -161362.8753 -109051.4747 299.3489 -89.2497 -63.4899 761350.4399 13.1626 13.3088 LDB: ============= START OF LOAD BALANCING ============== 8383.65 LDB: ============== END OF LOAD BALANCING =============== 8383.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8383.65 LDB: ============= START OF LOAD BALANCING ============== 8383.97 LDB: Largest compute 7058 load 0.034032 is 17.4% of average load 0.196039 LDB: Average compute 0.004381 is 2.2% of average load 0.196039 LDB: TIME 8383.97 LOAD: AVG 0.196039 MAX 0.215817 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 8383.97 LOAD: AVG 0.196039 MAX 0.215817 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 8383.97 LOAD: AVG 0.196039 MAX 0.215817 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 8383.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8383.98 PRESSURE: 2648400 -224.869 34.5681 -15.8402 34.5675 208.344 -169.444 -15.84 -169.443 -224.999 GPRESSURE: 2648400 -166.84 -70.8744 130.183 15.0879 209.617 -113.091 -41.4066 -231.831 -197.527 PRESSAVG: 2648400 -15.9641 -77.1174 -21.1243 -77.1174 29.3164 -8.24151 -21.1243 -8.24158 -17.8869 GPRESSAVG: 2648400 -16.1177 -77.63 -21.7807 -77.9252 29.921 -7.11963 -23.48 -8.49755 -17.9683 TIMING: 2648400 CPU: 8371.9, 0.00322523/step Wall: 8371.9, 0.00322523/step, 2.10679 hours remaining, 240.214844 MB of memory in use. ENERGY: 2648400 3934.1320 20618.5511 14500.3417 234.7516 -203089.2626 2279.4401 0.0000 0.0000 52092.3487 -109429.6974 299.3754 -161522.0461 -109078.7977 299.6283 -80.5081 -51.5834 760597.4854 -1.5115 -1.3884 PRESSURE: 2648600 -284.705 20.3601 34.8002 20.3595 -201.035 106.176 34.8009 106.175 205.478 GPRESSURE: 2648600 -144.977 9.74714 75.4551 21.3492 -186.759 170.313 -41.3027 78.3431 138.708 PRESSAVG: 2648600 -8.63852 -77.653 -52.7033 -77.6529 7.98415 8.73842 -52.7033 8.73842 8.65146 GPRESSAVG: 2648600 -9.49724 -79.7231 -52.8564 -76.0098 8.67259 8.52881 -50.0963 8.82002 8.5667 TIMING: 2648600 CPU: 8372.53, 0.00314459/step Wall: 8372.53, 0.00314459/step, 2.05394 hours remaining, 240.214844 MB of memory in use. ENERGY: 2648600 4014.1462 20432.2144 14489.2944 227.5322 -203225.9139 2441.2517 0.0000 0.0000 52046.9471 -109574.5280 299.1145 -161621.4751 -109207.2190 299.0254 -93.4206 -64.3425 760882.5880 2.6657 2.5807 PRESSURE: 2648800 -672.829 107.987 -67.8669 107.987 27.3969 94.3088 -67.8664 94.3097 -200.539 GPRESSURE: 2648800 -493.696 156.242 -17.1572 62.6269 -128.639 -11.4533 -78.7921 -87.2698 -137.626 PRESSAVG: 2648800 -32.3065 -72.9422 21.9295 -72.9421 -12.1236 -36.9285 21.9295 -36.9286 6.31538 GPRESSAVG: 2648800 -30.7564 -69.0527 23.2074 -75.3785 -14.2353 -36.4989 20.8061 -38.3955 6.75728 TIMING: 2648800 CPU: 8373.16, 0.00315321/step Wall: 8373.16, 0.00315321/step, 2.0594 hours remaining, 240.214844 MB of memory in use. ENERGY: 2648800 4062.9597 20581.3047 14466.8891 257.5802 -203062.9167 2244.5984 0.0000 0.0000 51958.1063 -109491.4784 298.6040 -161449.5846 -109140.2967 299.2935 -281.9903 -253.3204 762347.0438 -12.7049 -12.7448 PRESSURE: 2649000 57.9821 -144.272 374.055 -144.272 53.7078 142.269 374.054 142.27 56.553 GPRESSURE: 2649000 125.075 -124.612 359.24 -175.221 88.7697 207.981 114.523 43.0088 34.2252 PRESSAVG: 2649000 -4.92375 -52.7896 -4.93094 -52.7896 20.1243 -29.5666 -4.93096 -29.5665 -29.5029 GPRESSAVG: 2649000 -6.13783 -54.1258 -6.41715 -51.5651 21.6537 -28.1498 -6.00267 -27.2979 -29.8156 TIMING: 2649000 CPU: 8373.79, 0.00316132/step Wall: 8373.79, 0.00316132/step, 2.06452 hours remaining, 240.214844 MB of memory in use. ENERGY: 2649000 4022.1832 20542.4741 14449.9125 226.6416 -203687.6825 2776.2255 0.0000 0.0000 52188.5136 -109481.7319 299.9281 -161670.2455 -109115.2531 299.1106 56.0809 82.6901 760955.7635 -4.7674 -4.7666 PRESSURE: 2649200 282.842 4.80051 201.419 4.80029 224.819 -45.08 201.418 -45.0811 327.387 GPRESSURE: 2649200 223.109 -2.40164 166.537 -0.916841 297.915 97.4622 80.0327 3.88403 396.496 PRESSAVG: 2649200 22.1788 -73.2258 40.4352 -73.2258 -16.6182 -53.26 40.4352 -53.26 8.27506 GPRESSAVG: 2649200 22.2098 -73.8713 40.4868 -73.0563 -17.1443 -54.7632 40.0128 -54.6522 8.43381 TIMING: 2649200 CPU: 8374.42, 0.00314406/step Wall: 8374.42, 0.00314406/step, 2.05307 hours remaining, 240.214844 MB of memory in use. ENERGY: 2649200 4009.6963 20575.0124 14479.5782 237.7632 -203135.0365 2526.9168 0.0000 0.0000 51888.7571 -109417.3124 298.2054 -161306.0695 -109056.1118 299.3872 278.3491 305.8398 760847.5492 4.6119 4.4998 PRESSURE: 2649400 36.9797 -47.7275 63.17 -47.7272 14.3719 195.796 63.1704 195.797 50.3324 GPRESSURE: 2649400 78.8226 47.7175 20.1156 -6.31464 66.1989 75.1241 146.449 70.4533 21.7545 PRESSAVG: 2649400 -32.6202 -53.5179 21.6554 -53.518 54.5836 27.924 21.6554 27.924 -18.1372 GPRESSAVG: 2649400 -31.4394 -51.2485 21.7679 -54.8096 53.861 28.0813 23.5575 27.8857 -18.0544 TIMING: 2649400 CPU: 8375.05, 0.0031427/step Wall: 8375.05, 0.0031427/step, 2.05201 hours remaining, 240.214844 MB of memory in use. ENERGY: 2649400 3983.4553 20490.8417 14503.2643 259.8970 -203495.1257 2486.6179 0.0000 0.0000 52168.5092 -109602.5402 299.8131 -161771.0495 -109238.3040 299.8055 33.8946 55.5920 760760.1244 1.2754 1.4557 PRESSURE: 2649600 309.515 -115.478 105.548 -115.48 -53.9344 -114.624 105.549 -114.625 203.775 GPRESSURE: 2649600 384.656 -19.7514 160.516 -132.816 57.8567 -73.5452 49.2661 11.2547 106.907 PRESSAVG: 2649600 8.97317 -52.5971 56.3997 -52.5971 4.17735 -22.2746 56.3998 -22.2746 24.5353 GPRESSAVG: 2649600 8.43167 -55.1919 57.3834 -48.6525 4.6042 -21.0962 53.9159 -21.5213 24.6479 TIMING: 2649600 CPU: 8375.68, 0.00315647/step Wall: 8375.68, 0.00315647/step, 2.06082 hours remaining, 240.214844 MB of memory in use. ENERGY: 2649600 3975.8488 20561.9794 14438.3963 254.1424 -203461.9854 2599.6534 0.0000 0.0000 51949.7674 -109682.1977 298.5560 -161631.9651 -109319.3193 299.7072 153.1186 183.1400 758598.3999 12.5620 12.5613 PRESSURE: 2649800 296.248 26.8328 127.763 26.8329 -224.151 -195.673 127.761 -195.672 35.0132 GPRESSURE: 2649800 247.574 60.4088 47.0758 89.2858 -72.5098 -123.068 156.147 -166.496 27.7849 PRESSAVG: 2649800 -35.7972 -38.2625 9.11171 -38.2625 -20.5939 -27.4424 9.1117 -27.4424 0.792116 GPRESSAVG: 2649800 -36.8991 -37.5428 9.81717 -40.6279 -20.1297 -27.731 8.82015 -28.3086 1.4862 TIMING: 2649800 CPU: 8376.31, 0.00314859/step Wall: 8376.31, 0.00314859/step, 2.0555 hours remaining, 240.214844 MB of memory in use. ENERGY: 2649800 3908.7555 20698.3533 14481.3636 256.9778 -203513.3582 2497.1230 0.0000 0.0000 52169.0039 -109501.7810 299.8160 -161670.7849 -109136.7683 299.7759 35.7034 67.6165 759975.8464 -18.5330 -18.5142 PRESSURE: 2650000 -91.7883 -121.598 63.2471 -121.599 -249.604 148.162 63.248 148.163 -353.531 GPRESSURE: 2650000 -33.4949 -249.015 73.0843 -199.734 -280.555 106.924 93.0182 120.421 -289.645 PRESSAVG: 2650000 45.1078 -53.6596 58.7543 -53.6596 -55.5016 -32.3493 58.7543 -32.3493 -22.0947 GPRESSAVG: 2650000 45.4998 -54.5748 58.6263 -54.425 -54.7534 -32.5333 60.6815 -31.3086 -23.5813 TIMING: 2650000 CPU: 8376.94, 0.00314524/step Wall: 8376.94, 0.00314524/step, 2.05315 hours remaining, 240.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2650000 4022.4813 20633.8219 14443.1764 237.8946 -203096.2387 2318.4156 0.0000 0.0000 51913.7552 -109526.6936 298.3491 -161440.4488 -109159.8364 299.7447 -231.6411 -201.2315 760732.8588 -10.8295 -10.9450 PRESSURE: 2650200 43.0139 -95.5945 216.738 -95.5952 -164.895 -77.8479 216.738 -77.8475 -109.631 GPRESSURE: 2650200 -0.648806 -154.522 261.219 -35.0629 -106.743 -106.608 120.967 28.421 -41.5526 PRESSAVG: 2650200 -8.48035 -60.3083 20.0186 -60.3083 7.20977 -33.693 20.0186 -33.6931 -10.1458 GPRESSAVG: 2650200 -9.30529 -60.1368 19.5698 -59.4932 6.44184 -34.9657 19.167 -35.6605 -8.56632 TIMING: 2650200 CPU: 8377.57, 0.0031534/step Wall: 8377.57, 0.0031534/step, 2.05829 hours remaining, 240.214844 MB of memory in use. ENERGY: 2650200 3945.9415 20476.8785 14497.4059 251.8966 -203755.6056 2513.7625 0.0000 0.0000 52358.3702 -109711.3504 300.9043 -162069.7206 -109341.6376 299.9375 -77.1708 -49.6481 759969.8336 -3.8054 -3.8099 PRESSURE: 2650400 -324.741 105.574 33.1141 105.574 -33.3591 -63.0892 33.1152 -63.0896 222.894 GPRESSURE: 2650400 -328.032 197.555 54.395 114.125 47.7691 -135.668 10.6682 -134.73 241.058 PRESSAVG: 2650400 29.2164 -46.5146 23.0718 -46.5145 2.05493 7.67245 23.0718 7.67251 15.364 GPRESSAVG: 2650400 29.0378 -44.9639 22.4183 -46.5291 2.49831 8.88625 23.3792 8.36445 15.2276 TIMING: 2650400 CPU: 8378.2, 0.00314361/step Wall: 8378.2, 0.00314361/step, 2.05173 hours remaining, 240.214844 MB of memory in use. ENERGY: 2650400 4001.4368 20467.5311 14481.3838 240.7110 -203046.8183 2264.0831 0.0000 0.0000 51745.5942 -109846.0782 297.3826 -161591.6725 -109488.4156 299.0597 -45.0685 -13.0682 760234.3044 15.5451 15.5879 PRESSURE: 2650600 -321.957 -171.937 270.09 -171.938 12.0875 -38.7799 270.09 -38.7796 -129.793 GPRESSURE: 2650600 -121.263 -150.372 91.4073 -137.488 -47.9652 -82.3543 349.986 71.6024 -200.86 PRESSAVG: 2650600 -5.72865 -38.6715 14.0947 -38.6715 26.1946 8.6651 14.0946 8.66505 11.405 GPRESSAVG: 2650600 -3.4935 -39.0659 13.3155 -38.3279 25.091 8.62988 15.3115 9.27866 9.89605 TIMING: 2650600 CPU: 8378.82, 0.00312799/step Wall: 8378.82, 0.00312799/step, 2.04136 hours remaining, 240.214844 MB of memory in use. ENERGY: 2650600 3994.7921 20555.9062 14444.0963 246.4332 -203065.6718 2386.7064 0.0000 0.0000 51664.7482 -109772.9894 296.9180 -161437.7376 -109413.8089 298.7504 -146.5540 -123.3629 761012.0229 10.6236 10.4978 PRESSURE: 2650800 305.118 -84.9834 -162.806 -84.9831 161.067 38.4931 -162.806 38.4935 -263.024 GPRESSURE: 2650800 289.625 -93.1051 -199.914 -58.9125 180.795 -78.2864 -173.733 -34.4055 -189.791 PRESSAVG: 2650800 46.3869 -76.3725 9.16659 -76.3725 12.0152 -56.1476 9.16665 -56.1476 -16.8868 GPRESSAVG: 2650800 45.3038 -76.3228 9.34045 -77.8318 11.2561 -54.384 7.56283 -56.983 -15.1478 TIMING: 2650800 CPU: 8379.45, 0.00313489/step Wall: 8379.45, 0.00313489/step, 2.04569 hours remaining, 240.214844 MB of memory in use. ENERGY: 2650800 3952.9654 20511.9328 14440.1441 264.7242 -203939.6738 2910.3842 0.0000 0.0000 51919.7370 -109939.7861 298.3834 -161859.5232 -109577.5092 298.5656 67.7202 93.5431 761227.4707 13.8384 13.8041 PRESSURE: 2651000 -311.144 -106.385 395.796 -106.384 287.247 133.646 395.796 133.645 68.3426 GPRESSURE: 2651000 -218.101 -57.439 322.327 -98.8062 185.548 164.531 480.727 92.0985 151.967 PRESSAVG: 2651000 32.4341 -3.78811 -11.8368 -3.78816 -38.422 -13.1093 -11.8368 -13.1093 -8.1683 GPRESSAVG: 2651000 31.2141 -6.82436 -10.0831 -2.93801 -37.5873 -14.3492 -10.6864 -12.1866 -7.64683 TIMING: 2651000 CPU: 8380.08, 0.00314207/step Wall: 8380.08, 0.00314207/step, 2.0502 hours remaining, 240.214844 MB of memory in use. ENERGY: 2651000 3946.7198 20421.3050 14412.4082 253.5963 -203296.9276 2550.5169 0.0000 0.0000 51869.7442 -109842.6372 298.0961 -161712.3813 -109480.3487 298.5896 14.8151 39.8047 762228.8880 -4.7187 -4.6733 PRESSURE: 2651200 -58.4531 28.1271 -7.06473 28.1272 -295.535 6.04334 -7.06477 6.04267 -88.093 GPRESSURE: 2651200 -4.39311 -12.6164 77.2438 -23.616 -309.168 21.7116 -32.3327 67.509 -51.1976 PRESSAVG: 2651200 32.7072 -56.1364 7.65126 -56.1364 -112.4 -12.289 7.65129 -12.2889 -0.384812 GPRESSAVG: 2651200 32.829 -53.6214 6.14565 -56.2961 -111.242 -12.4943 7.06489 -11.2876 -1.85059 TIMING: 2651200 CPU: 8380.71, 0.00315569/step Wall: 8380.71, 0.00315569/step, 2.05891 hours remaining, 240.214844 MB of memory in use. ENERGY: 2651200 3905.6711 20431.5121 14389.3265 257.1031 -203129.0830 2304.7479 0.0000 0.0000 51951.7758 -109888.9465 298.5676 -161840.7223 -109519.1890 298.5082 -147.3603 -121.5861 760686.5938 -26.6926 -26.7546 PRESSURE: 2651400 -72.4178 14.7032 168.666 14.7027 109.476 159.629 168.665 159.63 -138.294 GPRESSURE: 2651400 14.3313 -0.261297 169.691 -7.91033 64.1666 127.594 136.088 132.144 -109.499 PRESSAVG: 2651400 25.0032 -48.5844 6.41085 -48.5844 7.75915 -12.9975 6.41086 -12.9975 -3.21183 GPRESSAVG: 2651400 25.7518 -49.398 5.41885 -47.3303 5.53301 -12.9967 6.00372 -14.6807 -2.23549 TIMING: 2651400 CPU: 8381.34, 0.0031408/step Wall: 8381.34, 0.0031408/step, 2.04902 hours remaining, 240.214844 MB of memory in use. ENERGY: 2651400 3971.1593 20645.7670 14443.2156 233.8778 -203804.8293 2825.3641 0.0000 0.0000 51929.2840 -109756.1616 298.4383 -161685.4455 -109395.5508 298.8644 -33.7453 -10.3336 761618.2817 9.8502 9.6831 PRESSURE: 2651600 390.117 208.734 104.147 208.735 563.067 -224.986 104.146 -224.986 -341.343 GPRESSURE: 2651600 407.665 208.46 99.028 103.914 553.299 -157.294 116.81 -177.046 -257.3 PRESSAVG: 2651600 51.4119 -37.7127 -39.8103 -37.7128 12.7505 -58.6803 -39.8104 -58.6803 -31.1718 GPRESSAVG: 2651600 51.5404 -38.7874 -39.7921 -39.4221 12.1013 -59.5629 -38.7546 -58.1571 -30.1494 TIMING: 2651600 CPU: 8381.97, 0.00315156/step Wall: 8381.97, 0.00315156/step, 2.05586 hours remaining, 240.214844 MB of memory in use. ENERGY: 2651600 3930.3656 20291.6797 14369.7728 239.3624 -203504.6935 2595.7747 0.0000 0.0000 52147.4337 -109930.3045 299.6920 -162077.7382 -109566.7336 298.7897 203.9468 234.5547 759555.9043 10.9969 11.1641 PRESSURE: 2651800 -195.492 39.1787 -94.0105 39.1788 -75.3378 -218.654 -94.0102 -218.655 22.1049 GPRESSURE: 2651800 -150.672 15.2959 -74.2939 52.1744 -11.2468 -203.521 -136.143 -350.964 10.1643 PRESSAVG: 2651800 -19.5267 -24.2993 -24.7059 -24.2993 11.3018 -28.8895 -24.7059 -28.8895 -5.76169 GPRESSAVG: 2651800 -18.8236 -23.3523 -23.7368 -24.7508 12.2295 -28.7872 -25.2293 -27.7825 -6.8169 TIMING: 2651800 CPU: 8382.6, 0.00316341/step Wall: 8382.6, 0.00316341/step, 2.06342 hours remaining, 240.214844 MB of memory in use. ENERGY: 2651800 3981.3226 20376.9045 14407.7961 263.4399 -203532.2675 2750.7978 0.0000 0.0000 51927.2002 -109824.8064 298.4263 -161752.0066 -109459.3161 299.0416 -82.9083 -50.5850 762489.9006 -4.6622 -4.4704 PRESSURE: 2652000 -361.994 40.7306 -61.3484 40.731 49.1291 79.5437 -61.3493 79.5448 210.185 GPRESSURE: 2652000 -269.19 95.8508 37.1163 -57.8114 37.0648 23.1695 -128.256 146.819 206.139 PRESSAVG: 2652000 -0.633492 2.36318 37.4322 2.36316 20.6776 4.28024 37.4322 4.2802 -3.46021 GPRESSAVG: 2652000 -1.61511 1.55283 35.146 3.85967 21.0434 4.97492 37.148 3.02109 -3.11525 TIMING: 2652000 CPU: 8383.23, 0.00315484/step Wall: 8383.23, 0.00315484/step, 2.05765 hours remaining, 240.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2652000 4018.5529 20485.2219 14435.8923 221.7800 -203124.0578 2351.6300 0.0000 0.0000 51939.6879 -109671.2928 298.4981 -161610.9807 -109319.2051 299.0033 -34.2267 -8.6620 761488.5685 5.5280 5.4377 PRESSURE: 2652200 -284.445 -41.3926 -31.876 -41.3928 -463.518 -329.785 -31.8758 -329.786 -168.847 GPRESSURE: 2652200 -166.795 -135.446 -20.6111 -105.397 -402.412 -298.123 -186.628 -290.836 -256.803 PRESSAVG: 2652200 -10.1033 11.488 32.971 11.488 -9.48005 -13.1752 32.9711 -13.1753 4.7474 GPRESSAVG: 2652200 -9.55547 12.6708 35.2264 9.97563 -9.04192 -13.4094 30.3056 -12.6235 3.78099 TIMING: 2652200 CPU: 8383.86, 0.00314118/step Wall: 8383.86, 0.00314118/step, 2.04857 hours remaining, 240.214844 MB of memory in use. ENERGY: 2652200 3942.7738 20431.2914 14461.4376 261.0727 -203409.2830 2254.4726 0.0000 0.0000 52198.7092 -109859.5257 299.9867 -162058.2349 -109485.1857 298.8957 -305.6035 -275.3368 759568.1203 -4.9453 -4.9388 LDB: ============= START OF LOAD BALANCING ============== 8396.26 LDB: ============== END OF LOAD BALANCING =============== 8396.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8396.26 LDB: ============= START OF LOAD BALANCING ============== 8396.58 LDB: Largest compute 7058 load 0.033877 is 17.3% of average load 0.195926 LDB: Average compute 0.004396 is 2.2% of average load 0.195926 LDB: TIME 8396.58 LOAD: AVG 0.195926 MAX 0.214088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 8396.58 LOAD: AVG 0.195926 MAX 0.214088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 8396.58 LOAD: AVG 0.195926 MAX 0.214088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 8396.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8396.59 PRESSURE: 2652400 154.924 54.5978 -34.4383 54.5979 -166.612 60.393 -34.4373 60.3929 -179.981 GPRESSURE: 2652400 96.3017 21.3182 -36.1958 28.571 -80.1049 -0.536596 -28.1361 -118.894 -113.271 PRESSAVG: 2652400 46.5699 -23.1916 23.9977 -23.1917 -48.2243 27.6056 23.9977 27.6055 -0.972382 GPRESSAVG: 2652400 45.7205 -24.4502 22.8854 -22.1785 -48.1571 27.0201 25.8275 25.3865 0.175899 TIMING: 2652400 CPU: 8384.51, 0.00323646/step Wall: 8384.51, 0.00323646/step, 2.11053 hours remaining, 239.125000 MB of memory in use. ENERGY: 2652400 4018.7246 20441.6002 14392.2632 249.6334 -203682.8220 2701.2390 0.0000 0.0000 52108.1586 -109771.2031 299.4663 -161879.3616 -109409.7934 298.7839 -63.8896 -32.3580 761680.9943 -0.8756 -0.7536 PRESSURE: 2652600 63.6903 -102.082 -77.5918 -102.083 -127.031 207.037 -77.5901 207.037 109.797 GPRESSURE: 2652600 138.074 -22.6661 -70.0767 -53.3333 -102.987 252.065 -136.989 197.653 85.3511 PRESSAVG: 2652600 82.7223 32.3616 50.2281 32.3616 -49.4056 16.456 50.2281 16.4559 5.0576 GPRESSAVG: 2652600 83.3543 33.2251 48.9232 32.4497 -48.8934 17.4561 52.0151 16.3691 3.76143 TIMING: 2652600 CPU: 8385.14, 0.00315803/step Wall: 8385.14, 0.00315803/step, 2.05921 hours remaining, 239.125000 MB of memory in use. ENERGY: 2652600 3999.2304 20591.2657 14486.8975 246.5492 -203731.2054 2795.9715 0.0000 0.0000 52190.0640 -109421.2272 299.9370 -161611.2912 -109058.2607 299.4789 15.4853 40.1459 758983.7051 12.7914 12.7408 PRESSURE: 2652800 -10.9638 -299.495 -51.3939 -299.495 -213.412 -34.6383 -51.3933 -34.6384 174.537 GPRESSURE: 2652800 -24.5379 -170.203 -43.3847 -361.717 -143.492 5.85267 119.459 68.9684 208.559 PRESSAVG: 2652800 -19.0669 -23.2829 -21.0858 -23.2829 -2.47288 -4.6689 -21.0859 -4.66891 11.9877 GPRESSAVG: 2652800 -19.9046 -23.3573 -20.3264 -22.8603 -3.43064 -6.06758 -21.9993 -2.95017 13.8292 TIMING: 2652800 CPU: 8385.77, 0.00314408/step Wall: 8385.77, 0.00314408/step, 2.04994 hours remaining, 239.125000 MB of memory in use. ENERGY: 2652800 3972.1726 20672.4903 14363.9138 232.5386 -203812.5841 2857.7829 0.0000 0.0000 52291.5120 -109422.1738 300.5200 -161713.6858 -109059.8168 299.5553 -16.6128 13.5097 759592.9317 -3.1840 -3.1687 PRESSURE: 2653000 -282.586 -60.9249 -32.8695 -60.925 -318.198 140.436 -32.8695 140.436 -38.2679 GPRESSURE: 2653000 -239.859 6.66791 -118.894 18.0179 -234.213 189.234 2.02682 88.3245 -79.2104 PRESSAVG: 2653000 16.2261 5.30158 14.469 5.30155 12.9793 1.99681 14.469 1.9968 9.94449 GPRESSAVG: 2653000 16.325 7.35051 13.6911 5.26556 13.835 2.16443 14.7982 4.15985 9.67021 TIMING: 2653000 CPU: 8386.4, 0.00316841/step Wall: 8386.4, 0.00316841/step, 2.06563 hours remaining, 239.125000 MB of memory in use. ENERGY: 2653000 4036.9317 20579.2688 14443.5597 232.0887 -203069.2560 2258.6658 0.0000 0.0000 52037.3700 -109481.3713 299.0595 -161518.7413 -109118.4443 299.4976 -213.0176 -184.4275 760715.0549 13.0500 13.2767 PRESSURE: 2653200 142.488 -108.528 -104.325 -108.526 41.0195 -153.115 -104.324 -153.116 -162.474 GPRESSURE: 2653200 273.618 -162.041 -62.9182 -140.768 21.6737 -74.1995 -84.7494 -167.865 -171.719 PRESSAVG: 2653200 49.8441 27.132 42.4037 27.132 5.58397 -57.2654 42.4037 -57.2653 -0.328439 GPRESSAVG: 2653200 51.3809 23.9818 44.1926 27.6668 4.74163 -56.2332 41.5969 -59.2769 -1.1544 TIMING: 2653200 CPU: 8387.03, 0.00316555/step Wall: 8387.03, 0.00316555/step, 2.06359 hours remaining, 239.125000 MB of memory in use. ENERGY: 2653200 4068.3574 20563.7700 14461.1222 224.2260 -203444.5989 2402.2539 0.0000 0.0000 52240.6418 -109484.2277 300.2277 -161724.8694 -109120.4441 299.9388 7.0114 41.1909 758708.0330 18.3665 18.3227 PRESSURE: 2653400 34.9541 1.10482 175.444 1.10424 -200.596 26.7395 175.444 26.7384 -222.712 GPRESSURE: 2653400 7.79415 -58.9527 174.22 -17.7671 -112.527 45.0914 146.887 -14.1324 -188.273 PRESSAVG: 2653400 60.8161 58.9268 28.8774 58.9268 -26.2202 -10.5611 28.8774 -10.561 20.7926 GPRESSAVG: 2653400 60.5082 60.2231 27.3379 57.6608 -26.2349 -12.055 30.9162 -10.4692 21.3813 TIMING: 2653400 CPU: 8387.66, 0.00313783/step Wall: 8387.66, 0.00313783/step, 2.04534 hours remaining, 239.125000 MB of memory in use. ENERGY: 2653400 4013.7458 20520.3799 14394.8021 222.2705 -203765.7418 2593.2304 0.0000 0.0000 52349.4573 -109671.8558 300.8531 -162021.3131 -109304.8656 299.5114 -129.4514 -97.6687 758990.9472 18.4629 18.5515 PRESSURE: 2653600 -227.637 4.3816 268.61 4.38256 -291.972 86.1942 268.61 86.194 -38.4492 GPRESSURE: 2653600 -139.288 21.4325 201.048 -31.8286 -174.264 118.431 142.566 168.654 -157.464 PRESSAVG: 2653600 53.8428 23.7632 0.952006 23.7632 -29.4276 28.7745 0.951996 28.7744 -1.25948 GPRESSAVG: 2653600 54.5493 24.7713 1.89871 23.1549 -28.5329 29.5015 -0.119957 26.7585 -2.87929 TIMING: 2653600 CPU: 8388.3, 0.00316664/step Wall: 8388.3, 0.00316664/step, 2.06394 hours remaining, 239.125000 MB of memory in use. ENERGY: 2653600 3923.4410 20488.9874 14365.1252 269.1943 -203520.2922 2298.0075 0.0000 0.0000 52197.0972 -109978.4396 299.9774 -162175.5369 -109602.3151 298.7773 -186.0196 -157.0053 758741.0849 7.7186 7.7124 PRESSURE: 2653800 -131.161 -171.753 199.763 -171.752 15.5277 -38.3175 199.763 -38.3179 -294.169 GPRESSURE: 2653800 -139.239 -199.662 59.311 -55.6997 20.5886 20.5092 159.182 -131.815 -200.541 PRESSAVG: 2653800 33.3281 -51.9785 -2.16471 -51.9785 22.2424 -11.0223 -2.1647 -11.0223 6.17086 GPRESSAVG: 2653800 32.3696 -53.1857 -2.07293 -51.0516 21.1152 -10.7367 -1.79054 -9.99118 8.12298 TIMING: 2653800 CPU: 8388.93, 0.00316998/step Wall: 8388.93, 0.00316998/step, 2.06595 hours remaining, 239.125000 MB of memory in use. ENERGY: 2653800 3954.9956 20574.5978 14378.2441 233.9428 -203623.8407 2604.0325 0.0000 0.0000 52002.4351 -109875.5929 298.8587 -161878.0280 -109511.4500 299.0373 -136.6007 -106.3970 760630.2012 20.5805 20.5359 PRESSURE: 2654000 -117.109 -45.8557 -177.778 -45.8534 -97.2877 -59.3593 -177.778 -59.3592 -53.2674 GPRESSURE: 2654000 -81.3005 -108.692 -94.0647 59.7611 -43.3812 78.9002 -142.611 -162.13 -66.0722 PRESSAVG: 2654000 -83.723 -10.7101 -42.8621 -10.7101 41.5924 -2.07828 -42.8621 -2.07828 2.83692 GPRESSAVG: 2654000 -82.9689 -10.9964 -42.7467 -10.896 41.3863 -2.74498 -42.8422 -0.637546 2.3421 TIMING: 2654000 CPU: 8389.56, 0.00314732/step Wall: 8389.56, 0.00314732/step, 2.051 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2654000 4005.9994 20718.9157 14382.5926 244.2977 -203726.7136 2564.6394 0.0000 0.0000 51990.8680 -109819.4008 298.7922 -161810.2688 -109457.5117 299.3525 -89.2214 -63.5847 761344.0942 -13.0979 -13.0802 PRESSURE: 2654200 140.323 34.8651 -53.6759 34.8656 -232.827 -239.685 -53.6748 -239.686 -0.695106 GPRESSURE: 2654200 155.59 26.8637 -2.99343 58.5327 -162.807 -163.51 -118.638 -282.55 13.7304 PRESSAVG: 2654200 11.9139 -32.0728 0.111206 -32.0728 -22.8286 20.708 0.111238 20.708 -3.87964 GPRESSAVG: 2654200 11.5836 -33.5244 1.07937 -30.7589 -22.4785 20.2252 0.370434 19.8522 -3.43288 TIMING: 2654200 CPU: 8390.19, 0.00315384/step Wall: 8390.19, 0.00315384/step, 2.05508 hours remaining, 239.125000 MB of memory in use. ENERGY: 2654200 3913.0436 20438.3364 14438.4707 236.9886 -203673.8955 2694.8299 0.0000 0.0000 52152.6322 -109799.5941 299.7219 -161952.2264 -109427.5825 298.8204 -31.0663 2.1712 760193.7538 -4.9315 -4.7759 PRESSURE: 2654400 -217.046 -135.2 -140.653 -135.2 -99.167 100.292 -140.653 100.292 -64.5062 GPRESSURE: 2654400 -197.752 -27.7242 -115.425 29.048 -109.618 49.7209 -87.4468 93.273 -13.1019 PRESSAVG: 2654400 107.123 -16.0655 -59.8859 -16.0655 -85.7661 21.7952 -59.8859 21.7951 -9.63396 GPRESSAVG: 2654400 107.467 -15.1171 -60.1112 -15.6088 -85.6846 22.5998 -61.4407 20.6342 -10.0371 TIMING: 2654400 CPU: 8390.82, 0.00315955/step Wall: 8390.82, 0.00315955/step, 2.05862 hours remaining, 239.125000 MB of memory in use. ENERGY: 2654400 3973.8015 20541.5141 14432.1466 252.4306 -203223.7030 2082.2822 0.0000 0.0000 52045.2598 -109896.2682 299.1048 -161941.5281 -109527.2972 299.2619 -126.9065 -106.8240 758729.4648 3.9077 3.9151 PRESSURE: 2654600 -107.523 69.4466 -31.4572 69.448 111.702 106.339 -31.457 106.339 -1.45807 GPRESSURE: 2654600 -69.6402 -9.28616 -80.0618 -0.658861 68.4674 122.553 -23.1198 141.805 91.8066 PRESSAVG: 2654600 -15.3564 26.6124 -8.36775 26.6124 11.9862 51.9014 -8.3676 51.9014 26.519 GPRESSAVG: 2654600 -16.021 26.3889 -9.22444 23.6044 12.6508 52.2365 -7.13913 49.8003 27.0687 TIMING: 2654600 CPU: 8391.45, 0.00316507/step Wall: 8391.45, 0.00316507/step, 2.06204 hours remaining, 239.125000 MB of memory in use. ENERGY: 2654600 3957.2281 20456.8235 14475.1498 241.7046 -203236.0303 2227.4924 0.0000 0.0000 52028.2125 -109849.4195 299.0069 -161877.6320 -109494.4648 299.1565 0.9069 30.2113 759228.1261 7.7163 7.8995 PRESSURE: 2654800 268.547 201.652 170.63 201.651 181.163 -139.833 170.631 -139.832 -62.2634 GPRESSURE: 2654800 254.637 188.462 145.311 132.469 228.48 -156.506 100.098 -4.31635 -22.4903 PRESSAVG: 2654800 11.9996 -15.0135 -31.0042 -15.0135 34.0997 -4.93811 -31.0042 -4.9382 -0.462169 GPRESSAVG: 2654800 12.2852 -15.5689 -31.1121 -15.5416 34.3268 -6.08879 -30.631 -3.2018 -1.15847 TIMING: 2654800 CPU: 8392.08, 0.00315106/step Wall: 8392.08, 0.00315106/step, 2.05274 hours remaining, 239.125000 MB of memory in use. ENERGY: 2654800 3935.4832 20521.1625 14440.4200 243.3127 -203553.1876 2603.3407 0.0000 0.0000 52014.9431 -109794.5253 298.9306 -161809.4684 -109430.4976 298.6058 129.1488 153.5425 758709.1872 15.2124 15.1512 PRESSURE: 2655000 400.62 -88.4189 -20.1533 -88.4196 4.00139 128.829 -20.1544 128.828 261.397 GPRESSURE: 2655000 476.598 -68.6737 14.2915 -197.68 5.4732 8.20529 -76.1264 138.355 278.048 PRESSAVG: 2655000 33.8455 -55.6735 -22.9753 -55.6734 9.38619 38.6877 -22.9753 38.6876 7.84028 GPRESSAVG: 2655000 34.2874 -53.8809 -22.3809 -54.7538 8.93186 40.2766 -25.0691 38.2518 7.61631 TIMING: 2655000 CPU: 8392.72, 0.00316267/step Wall: 8392.72, 0.00316267/step, 2.06013 hours remaining, 239.125000 MB of memory in use. ENERGY: 2655000 3915.5329 20397.5612 14409.4158 252.4542 -203603.9627 2731.6448 0.0000 0.0000 52043.7928 -109853.5611 299.0964 -161897.3539 -109491.6429 298.9246 222.0059 253.3733 757919.2175 17.0240 16.9452 PRESSURE: 2655200 65.56 -51.4838 198.885 -51.4835 340.702 -135.827 198.885 -135.828 102.752 GPRESSURE: 2655200 127.388 -105.472 162.084 -86.5748 240.903 -185.965 337.166 15.9747 223.027 PRESSAVG: 2655200 -1.31152 -26.032 40.977 -26.0321 23.4222 -43.3413 40.977 -43.3414 13.4611 GPRESSAVG: 2655200 -0.732795 -26.4365 41.4792 -25.3654 22.5124 -44.2985 41.9975 -42.254 13.594 TIMING: 2655200 CPU: 8393.35, 0.00315524/step Wall: 8393.35, 0.00315524/step, 2.05511 hours remaining, 239.125000 MB of memory in use. ENERGY: 2655200 4015.4833 20517.0558 14448.3603 256.2621 -203454.4110 2556.7391 0.0000 0.0000 51819.2178 -109841.2926 297.8058 -161660.5104 -109484.0981 298.9272 169.6711 197.1061 758685.6547 11.8573 11.7912 PRESSURE: 2655400 292.572 42.7486 -24.3295 42.7482 129.717 -64.3025 -24.3297 -64.3015 -22.0853 GPRESSURE: 2655400 327.036 -14.9148 -71.7244 36.4392 215.042 1.6422 6.69694 -15.5388 -34.581 PRESSAVG: 2655400 -32.1116 14.3102 12.3696 14.3103 29.7443 9.2842 12.3696 9.28419 2.37975 GPRESSAVG: 2655400 -32.8057 11.059 11.6954 16.762 30.8504 10.1256 12.349 10.4226 2.56972 TIMING: 2655400 CPU: 8393.98, 0.00314627/step Wall: 8393.98, 0.00314627/step, 2.0491 hours remaining, 239.125000 MB of memory in use. ENERGY: 2655400 3939.9721 20589.3136 14428.7589 236.3985 -203506.6017 2597.7991 0.0000 0.0000 52004.3295 -109710.0301 298.8696 -161714.3595 -109345.0111 299.1931 133.4013 169.1658 759101.8513 0.0041 0.2048 PRESSURE: 2655600 179.461 40.1793 179.192 40.1801 5.33646 -42.4721 179.193 -42.4717 436.491 GPRESSURE: 2655600 102.405 41.1126 214.05 65.2091 112.874 -49.5152 131.718 -69.3383 485.232 PRESSAVG: 2655600 14.7967 9.90304 10.2601 9.9031 9.65299 -54.6135 10.2601 -54.6135 7.31489 GPRESSAVG: 2655600 14.617 11.063 12.5392 8.15753 9.87291 -56.7223 8.73489 -55.5386 6.07373 TIMING: 2655600 CPU: 8394.61, 0.00316048/step Wall: 8394.61, 0.00316048/step, 2.05817 hours remaining, 239.125000 MB of memory in use. ENERGY: 2655600 3938.0593 20464.6113 14477.6179 254.5715 -203653.6887 2522.5236 0.0000 0.0000 52270.2120 -109726.0931 300.3976 -161996.3051 -109363.4833 299.3787 207.0960 233.5035 757914.6890 10.5882 10.1879 PRESSURE: 2655800 -8.02232 -68.8112 -74.0821 -68.8126 237.971 113.362 -74.0819 113.361 -130.212 GPRESSURE: 2655800 52.0471 -177.188 -21.2691 -144.967 236.379 182.22 -225.187 53.5613 -111.198 PRESSAVG: 2655800 -74.4388 19.9132 -38.8637 19.9131 70.4096 -7.86777 -38.8637 -7.86775 -16.2089 GPRESSAVG: 2655800 -74.784 20.9634 -38.908 19.4781 70.6027 -7.38437 -38.1724 -7.93392 -16.3292 TIMING: 2655800 CPU: 8395.24, 0.00315417/step Wall: 8395.24, 0.00315417/step, 2.05389 hours remaining, 239.125000 MB of memory in use. ENERGY: 2655800 4003.8739 20596.2402 14345.5915 243.3444 -203373.4958 2520.4248 0.0000 0.0000 52052.6557 -109611.3653 299.1473 -161664.0210 -109257.4084 299.5151 33.2455 59.0763 758590.7329 -6.7460 -6.8368 PRESSURE: 2656000 206.945 -228.539 -380.833 -228.538 203.723 -125.505 -380.833 -125.505 22.7637 GPRESSURE: 2656000 332.388 -224.434 -387.893 -212.411 139.155 -152.987 -247.1 25.7551 45.0894 PRESSAVG: 2656000 -28.3426 14.5811 -34.824 14.5811 -3.99411 10.4356 -34.8241 10.4357 0.128174 GPRESSAVG: 2656000 -27.1406 14.0139 -35.9473 14.9461 -5.79787 11.2491 -33.1829 11.3162 0.350007 TIMING: 2656000 CPU: 8395.88, 0.00317598/step Wall: 8395.88, 0.00317597/step, 2.06791 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2656000 3955.8337 20324.2506 14473.2075 238.2649 -203536.5050 2466.4852 0.0000 0.0000 52060.5243 -110017.9389 299.1925 -162078.4631 -109655.7640 298.8342 144.4773 172.2110 758492.8817 -10.7362 -10.8628 PRESSURE: 2656200 -49.6266 -33.3157 -3.49299 -33.3166 -5.92106 260.835 -3.49316 260.836 -50.7089 GPRESSURE: 2656200 -25.6898 -40.4025 -25.7403 -34.9428 8.81928 263.821 -4.85431 85.0346 1.98342 PRESSAVG: 2656200 1.74153 -28.4415 -44.682 -28.4415 14.1748 8.86432 -44.6821 8.86422 11.4936 GPRESSAVG: 2656200 0.240491 -27.5014 -44.2357 -27.959 15.3942 8.63839 -46.366 8.02809 11.9935 TIMING: 2656200 CPU: 8396.51, 0.00317535/step Wall: 8396.51, 0.00317535/step, 2.06733 hours remaining, 239.125000 MB of memory in use. ENERGY: 2656200 3992.2799 20582.1430 14440.4407 249.5735 -203422.1452 2091.2799 0.0000 0.0000 51795.7469 -110270.6813 297.6709 -162066.4282 -109915.5486 297.9221 -35.4188 -4.9624 758228.0009 9.1366 9.2094 LDB: ============= START OF LOAD BALANCING ============== 8408.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8408.91 LDB: =============== DONE WITH MIGRATION ================ 8408.91 LDB: ============= START OF LOAD BALANCING ============== 8409.23 LDB: Largest compute 7058 load 0.034714 is 17.7% of average load 0.195996 LDB: Average compute 0.004387 is 2.2% of average load 0.195996 LDB: TIME 8409.23 LOAD: AVG 0.195996 MAX 0.21627 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 8409.23 LOAD: AVG 0.195996 MAX 0.21627 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 8409.23 LOAD: AVG 0.195996 MAX 0.21627 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 8409.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8409.24 PRESSURE: 2656400 -257.86 -247.652 180.623 -247.651 129.362 -117.057 180.623 -117.057 223.332 GPRESSURE: 2656400 -157.766 -262.406 281.082 -104.737 114.485 -147.755 -3.29748 -119.483 216.409 PRESSAVG: 2656400 -22.1856 -27.5912 4.3129 -27.5912 -13.7411 32.0799 4.31285 32.0799 12.3436 GPRESSAVG: 2656400 -22.6711 -26.7607 4.4729 -25.638 -13.9204 31.9698 5.07526 32.9935 12.6009 TIMING: 2656400 CPU: 8397.16, 0.00322964/step Wall: 8397.16, 0.00322964/step, 2.10249 hours remaining, 238.410156 MB of memory in use. ENERGY: 2656400 3954.4971 20618.3632 14455.9393 261.6612 -203490.8092 2278.4599 0.0000 0.0000 51823.3550 -110098.5335 297.8295 -161921.8886 -109723.7160 298.2831 31.6115 57.7090 758652.4140 -7.8610 -7.9969 PRESSURE: 2656600 -163.378 195.062 -124.954 195.062 -228.793 -161.395 -124.953 -161.393 300.033 GPRESSURE: 2656600 -140.278 108.053 -169.217 123.444 -168.515 -133.378 -139.515 -271.524 313.605 PRESSAVG: 2656600 -14.3998 -10.8451 -19.8101 -10.8451 4.0111 -3.86803 -19.8101 -3.86805 13.3211 GPRESSAVG: 2656600 -13.6306 -11.6759 -22.1027 -12.0834 4.36285 -4.53088 -19.4457 -4.60036 11.6428 TIMING: 2656600 CPU: 8397.79, 0.00316827/step Wall: 8397.79, 0.00316827/step, 2.06237 hours remaining, 238.410156 MB of memory in use. ENERGY: 2656600 3924.7201 20554.1118 14491.0887 257.7860 -203944.4017 2751.8858 0.0000 0.0000 51969.0467 -109995.7625 298.6668 -161964.8092 -109636.1301 298.5718 -30.7126 1.6040 759085.7136 0.9774 0.7917 PRESSURE: 2656800 -105.091 -148.671 -136.542 -148.671 268.895 175.811 -136.542 175.811 -29.8865 GPRESSURE: 2656800 -29.6873 -195.373 -102.882 -169.548 278.181 115.46 -89.7999 146.43 -29.9141 PRESSAVG: 2656800 -90.4086 -18.7618 -62.728 -18.7618 55.242 29.39 -62.728 29.39 8.52496 GPRESSAVG: 2656800 -90.9899 -16.3348 -62.2232 -21.8187 55.0293 31.5557 -63.9132 27.5525 8.94875 TIMING: 2656800 CPU: 8398.42, 0.00315231/step Wall: 8398.42, 0.00315231/step, 2.0518 hours remaining, 238.410156 MB of memory in use. ENERGY: 2656800 4002.7339 20460.9123 14492.4094 248.9122 -203542.0865 2292.2472 0.0000 0.0000 52121.5006 -109923.3710 299.5430 -162044.8716 -109545.1563 298.6674 44.6392 72.8600 758799.5353 -8.8806 -9.0040 PRESSURE: 2657000 36.7578 53.3134 20.1704 53.3138 144.507 153.146 20.1697 153.144 -469.332 GPRESSURE: 2657000 25.3028 47.7201 -58.8037 37.4328 115.761 106.902 4.98319 165.316 -328.567 PRESSAVG: 2657000 -25.9579 -28.1667 -61.72 -28.1667 29.8645 -22.4586 -61.72 -22.4585 23.216 GPRESSAVG: 2657000 -27.0249 -28.686 -62.1463 -26.1349 29.8629 -25.592 -59.7056 -21.2272 24.4995 TIMING: 2657000 CPU: 8399.05, 0.00315162/step Wall: 8399.05, 0.00315162/step, 2.05118 hours remaining, 238.410156 MB of memory in use. ENERGY: 2657000 3982.6097 20754.7779 14529.1542 250.8516 -204008.4246 2898.0663 0.0000 0.0000 51978.5459 -109614.4190 298.7214 -161592.9649 -109256.8815 298.8431 -96.0226 -62.5010 759291.9354 9.0408 9.1125 PRESSURE: 2657200 -234.7 4.40415 19.9478 4.40344 289.329 103.604 19.9485 103.604 -220.714 GPRESSURE: 2657200 -166.775 4.52278 54.2539 -19.1388 324.744 144.128 92.624 108.786 -247.367 PRESSAVG: 2657200 10.7362 -4.89963 -4.85576 -4.8996 3.59444 20.8375 -4.85574 20.8375 -4.37756 GPRESSAVG: 2657200 12.2354 -5.11845 -4.34461 -5.16241 2.71795 22.8159 -5.96625 21.026 -5.13879 TIMING: 2657200 CPU: 8399.68, 0.00315002/step Wall: 8399.68, 0.00315002/step, 2.04996 hours remaining, 238.410156 MB of memory in use. ENERGY: 2657200 4033.3297 20471.4955 14466.4371 249.3380 -203637.5410 2551.8672 0.0000 0.0000 52178.9765 -109686.0971 299.8733 -161865.0736 -109319.8894 299.0914 -55.3613 -29.7993 760903.8390 3.3177 3.2715 PRESSURE: 2657400 252.408 35.1229 -122.853 35.1222 -122.817 -102.132 -122.853 -102.131 -163.893 GPRESSURE: 2657400 224.321 -6.86209 -202.989 118.845 -50.7123 -62.3932 -113.837 -125.659 -121.882 PRESSAVG: 2657400 -21.5749 -28.3636 3.98714 -28.3635 -14.2491 -12.8487 3.98718 -12.8487 -25.712 GPRESSAVG: 2657400 -22.0205 -30.7041 4.09905 -27.4136 -14.3753 -13.1391 3.88376 -12.885 -25.0819 TIMING: 2657400 CPU: 8400.31, 0.00314762/step Wall: 8400.31, 0.00314762/step, 2.04823 hours remaining, 238.410156 MB of memory in use. ENERGY: 2657400 3940.8123 20412.6970 14459.9465 230.0138 -203703.6351 2893.5177 0.0000 0.0000 52153.3768 -109613.2711 299.7262 -161766.6479 -109257.5660 299.0682 -11.4341 17.2422 760458.4325 -20.5120 -20.4926 PRESSURE: 2657600 -207.943 -31.3577 39.6123 -31.3577 -308.719 -28.6318 39.613 -28.6308 -310.175 GPRESSURE: 2657600 -148.019 70.2801 -1.32016 -61.3174 -302.062 -33.3599 -37.0919 -86.2134 -284.584 PRESSAVG: 2657600 55.2851 4.82379 8.15684 4.82384 -29.729 -34.1764 8.15683 -34.1764 12.2328 GPRESSAVG: 2657600 56.2853 6.58506 9.05497 3.28523 -29.6664 -34.1077 8.25566 -34.9788 11.1271 TIMING: 2657600 CPU: 8400.94, 0.00315059/step Wall: 8400.94, 0.00315059/step, 2.04998 hours remaining, 238.410156 MB of memory in use. ENERGY: 2657600 4014.4630 20304.0229 14493.8189 245.2139 -203115.5598 2184.3685 0.0000 0.0000 52202.3453 -109671.3274 300.0076 -161873.6727 -109301.2759 299.5164 -275.6126 -244.8880 759317.1100 12.5963 12.5820 PRESSURE: 2657800 268.482 -124.109 -237.347 -124.109 91.2545 -164.269 -237.347 -164.27 241.207 GPRESSURE: 2657800 385.534 -34.3786 -250.089 -77.3208 29.1143 -61.6478 -300.259 -224.674 280.336 PRESSAVG: 2657800 16.206 32.1244 -48.6001 32.1244 12.8952 5.96881 -48.6001 5.96884 38.3449 GPRESSAVG: 2657800 15.8087 33.3348 -49.7912 31.3041 12.9542 5.20844 -47.9929 6.14497 38.1739 TIMING: 2657800 CPU: 8401.57, 0.00315678/step Wall: 8401.57, 0.00315678/step, 2.05384 hours remaining, 238.410156 MB of memory in use. ENERGY: 2657800 4032.1957 20461.2376 14524.4821 244.6961 -203461.7563 2471.0184 0.0000 0.0000 52158.8459 -109569.2804 299.7576 -161728.1263 -109205.7559 299.1895 200.3147 231.6615 759308.9422 22.4820 22.3123 PRESSURE: 2658000 -271.841 88.4862 -47.4832 88.4867 -64.1385 -19.2558 -47.4834 -19.2572 -354.434 GPRESSURE: 2658000 -205.176 -6.89591 -4.40093 102.038 -54.6778 -29.5165 -136.103 85.9893 -341.373 PRESSAVG: 2658000 5.65226 -37.6907 -46.0507 -37.6907 8.86491 48.1358 -46.0508 48.1359 -31.4002 GPRESSAVG: 2658000 5.35748 -38.656 -44.8345 -35.9217 8.60151 49.2672 -46.4606 48.4918 -30.7256 TIMING: 2658000 CPU: 8402.2, 0.00314945/step Wall: 8402.2, 0.00314945/step, 2.04889 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2658000 3999.9960 20499.8319 14539.1082 268.5017 -203918.2873 2665.3738 0.0000 0.0000 52429.5415 -109515.9343 301.3133 -161945.4757 -109144.5763 299.8862 -230.1377 -200.4089 757827.0845 -5.6277 -5.5889 PRESSURE: 2658200 -215.443 -12.7104 390.203 -12.7106 -101.158 -18.2022 390.203 -18.2022 16.909 GPRESSURE: 2658200 -246.873 -106.38 425.872 -48.445 -27.0567 -41.3726 291.712 42.1224 63.4743 PRESSAVG: 2658200 24.5547 6.96544 27.7567 6.96549 -2.76004 52.4219 27.7567 52.4219 4.64423 GPRESSAVG: 2658200 24.8036 6.73002 28.5437 9.14876 -3.29989 52.4683 26.2868 52.4753 4.7479 TIMING: 2658200 CPU: 8402.83, 0.0031397/step Wall: 8402.83, 0.0031397/step, 2.04238 hours remaining, 238.410156 MB of memory in use. ENERGY: 2658200 4112.7950 20487.8634 14484.6802 241.2034 -203497.4208 2313.6355 0.0000 0.0000 52293.8798 -109563.3636 300.5336 -161857.2434 -109197.0995 299.7917 -99.8972 -70.1517 757669.5103 8.8129 8.7505 PRESSURE: 2658400 -176.332 31.8839 108.965 31.8845 -303.654 14.0316 108.964 14.0303 -84.3634 GPRESSURE: 2658400 -116.486 -38.1654 79.0331 -39.0709 -200.849 18.535 118.11 -17.2724 -146.809 PRESSAVG: 2658400 38.8973 8.5299 31.6085 8.53 -44.1886 17.849 31.6086 17.849 -5.81111 GPRESSAVG: 2658400 38.9834 6.16683 28.8107 3.58648 -43.2753 16.7804 32.4675 18.9362 -6.81335 TIMING: 2658400 CPU: 8403.46, 0.00314128/step Wall: 8403.46, 0.00314128/step, 2.04323 hours remaining, 238.410156 MB of memory in use. ENERGY: 2658400 3931.8823 20586.9241 14502.7748 253.5128 -203234.5435 2331.0482 0.0000 0.0000 51954.3097 -109674.0917 298.5821 -161628.4014 -109316.1442 299.0451 -188.1164 -154.7145 758830.7501 -3.7008 -3.7018 PRESSURE: 2658600 -128.11 70.5518 -97.8468 70.5515 -225.113 90.7679 -97.8474 90.7675 -290.783 GPRESSURE: 2658600 -134.801 46.3077 -103.491 115.62 -249.458 136.266 -133.944 64.0345 -192.928 PRESSAVG: 2658600 -7.0567 18.6694 -19.3247 18.6695 -32.0952 19.1455 -19.3247 19.1454 -10.9168 GPRESSAVG: 2658600 -6.93625 19.6199 -17.8648 20.657 -32.3997 19.4078 -17.2027 20.0334 -11.1716 TIMING: 2658600 CPU: 8404.09, 0.00313726/step Wall: 8404.09, 0.00313726/step, 2.04044 hours remaining, 238.410156 MB of memory in use. ENERGY: 2658600 3998.7911 20503.7913 14486.1102 230.1224 -203264.1731 2276.0072 0.0000 0.0000 52043.5758 -109725.7750 299.0951 -161769.3508 -109366.5874 299.2626 -214.6686 -192.3958 759319.5211 -16.6896 -16.8359 PRESSURE: 2658800 106.631 -345.413 -213.915 -345.413 -244.535 -323.478 -213.913 -323.477 -116.007 GPRESSURE: 2658800 34.3743 -359.571 -110.586 -245.687 -154.986 -327.056 -206.714 -258.438 -51.003 PRESSAVG: 2658800 -20.3295 38.3953 -20.7585 38.3953 32.2377 19.5353 -20.7585 19.5352 -12.0472 GPRESSAVG: 2658800 -21.555 40.7522 -20.4824 39.1325 32.0074 17.6599 -23.1177 16.7295 -11.0085 TIMING: 2658800 CPU: 8404.71, 0.00314365/step Wall: 8404.71, 0.00314365/step, 2.04442 hours remaining, 238.410156 MB of memory in use. ENERGY: 2658800 4021.5571 20508.5776 14430.5258 252.9153 -203138.6044 2009.0940 0.0000 0.0000 51890.3455 -110025.5891 298.2145 -161915.9346 -109658.0903 298.4096 -84.6372 -57.2048 759872.7942 -0.0463 -0.1854 PRESSURE: 2659000 -16.1897 223.075 -125.656 223.076 180.931 -94.2423 -125.657 -94.2425 -204.714 GPRESSURE: 2659000 -60.3737 158.017 -51.5403 188.561 209.27 -15.1466 1.16238 -28.1219 -101.295 PRESSAVG: 2659000 33.6204 -4.29591 21.4673 -4.29587 -8.72887 -50.3794 21.4672 -50.3794 20.5242 GPRESSAVG: 2659000 34.0355 -5.85705 21.8711 -6.05882 -7.97788 -48.1754 22.0253 -51.6667 19.0225 TIMING: 2659000 CPU: 8405.35, 0.0031583/step Wall: 8405.35, 0.0031583/step, 2.05377 hours remaining, 238.410156 MB of memory in use. ENERGY: 2659000 4008.8487 20525.9252 14481.5225 238.0934 -203923.3016 2609.9719 0.0000 0.0000 52044.3332 -110014.6067 299.0995 -162058.9400 -109654.8459 298.7614 -13.3244 15.8673 759608.6682 15.1386 15.0267 PRESSURE: 2659200 -273.712 -283.889 -111.113 -283.889 -217.259 136.559 -111.113 136.559 -533.273 GPRESSURE: 2659200 -163.511 -342.154 -85.0823 -285.217 -245.714 160.878 -73.3024 65.7364 -493.115 PRESSAVG: 2659200 28.033 12.6361 -50.3495 12.6362 9.73609 -32.5904 -50.3495 -32.5903 3.51115 GPRESSAVG: 2659200 27.9883 11.8192 -50.5351 12.9917 8.75284 -33.7085 -50.1078 -31.7727 4.85165 TIMING: 2659200 CPU: 8405.98, 0.00315993/step Wall: 8405.98, 0.00315993/step, 2.05466 hours remaining, 238.410156 MB of memory in use. ENERGY: 2659200 4017.8488 20483.6109 14469.0880 222.0382 -203198.1317 2098.1378 0.0000 0.0000 51955.1658 -109952.2422 298.5871 -161907.4080 -109594.7076 298.2074 -341.4145 -300.7799 760950.0908 13.7601 13.8643 PRESSURE: 2659400 147.99 119.801 -117.999 119.802 -60.2686 16.5279 -117.999 16.528 235.54 GPRESSURE: 2659400 133.112 41.6287 -39.6065 101.568 41.6349 -20.0866 -126.06 75.968 232.362 PRESSAVG: 2659400 -3.42328 -27.9314 -2.59244 -27.9314 -1.11429 -6.92963 -2.59245 -6.92962 4.73012 GPRESSAVG: 2659400 -3.52502 -26.4531 -3.14823 -26.8115 -0.621064 -5.89749 -2.87086 -5.18203 4.28332 TIMING: 2659400 CPU: 8406.61, 0.00314303/step Wall: 8406.61, 0.00314303/step, 2.04349 hours remaining, 238.410156 MB of memory in use. ENERGY: 2659400 3911.0597 20393.0575 14448.3937 242.8341 -203399.5140 2401.1540 0.0000 0.0000 51965.6488 -110037.3661 298.6473 -162003.0148 -109671.1030 298.3133 107.7537 135.7032 759494.8692 0.0642 0.0457 PRESSURE: 2659600 220.672 -133.017 -175.544 -133.017 -288.709 -178.083 -175.544 -178.082 -82.8492 GPRESSURE: 2659600 156.269 -90.1248 -146.172 -82.1756 -221.475 -119.866 -79.8872 -145.856 -5.39953 PRESSAVG: 2659600 38.0936 24.0284 -46.7033 24.0284 -26.331 -18.9144 -46.7033 -18.9143 -9.7016 GPRESSAVG: 2659600 37.5475 21.5595 -46.6333 24.1135 -26.0239 -20.3959 -46.7063 -19.7211 -9.47261 TIMING: 2659600 CPU: 8407.24, 0.00315476/step Wall: 8407.24, 0.00315476/step, 2.05094 hours remaining, 238.410156 MB of memory in use. ENERGY: 2659600 3884.4467 20397.8070 14464.7478 239.3161 -203832.4468 2580.6232 0.0000 0.0000 52176.5413 -110088.9647 299.8593 -162265.5060 -109721.7958 298.1061 -50.2953 -23.5352 759082.7234 0.6870 0.6837 PRESSURE: 2659800 -50.2071 60.757 -37.7684 60.7559 -207.349 -39.9493 -37.7698 -39.9496 314.992 GPRESSURE: 2659800 63.6075 180.66 -103.166 22.9699 -249.147 -70.0487 38.2275 16.3085 356.91 PRESSAVG: 2659800 35.773 -31.1468 9.13707 -31.1468 -42.6485 30.6073 9.137 30.6073 8.86116 GPRESSAVG: 2659800 36.8487 -29.261 9.47758 -31.3174 -43.3876 32.7891 9.22821 30.2781 9.24965 TIMING: 2659800 CPU: 8407.87, 0.00314847/step Wall: 8407.87, 0.00314847/step, 2.04668 hours remaining, 238.410156 MB of memory in use. ENERGY: 2659800 3926.6921 20375.4386 14441.3791 262.5417 -203502.5509 2431.5777 0.0000 0.0000 51943.1080 -110121.8137 298.5178 -162064.9218 -109760.2267 297.9025 19.1453 57.1237 756573.2348 0.6619 0.9036 PRESSURE: 2660000 337.828 -181.864 63.955 -181.865 43.9646 320.148 63.9556 320.147 -334.958 GPRESSURE: 2660000 391.137 -209.891 -19.9734 -126.791 77.8056 251.796 74.307 156.538 -315.833 PRESSAVG: 2660000 32.4835 -13.8055 20.9463 -13.8054 -34.4301 -34.6839 20.9463 -34.6839 -0.876025 GPRESSAVG: 2660000 32.0877 -13.9011 21.1981 -13.0954 -33.9663 -35.3968 22.4379 -36.255 -0.476439 TIMING: 2660000 CPU: 8408.5, 0.00315652/step Wall: 8408.5, 0.00315652/step, 2.05174 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2660000 3994.2316 20312.8704 14407.3313 247.5451 -203234.9656 2390.5464 0.0000 0.0000 51697.0320 -110185.4087 297.1036 -161882.4407 -109817.4049 297.3083 15.6115 51.0366 756984.3921 -0.9409 -0.7850 PRESSURE: 2660200 145.731 -133.305 15.1291 -133.305 -140.135 -48.1675 15.129 -48.1676 -126.459 GPRESSURE: 2660200 217.318 -69.2563 -94.1756 -42.5789 -60.7541 -110.07 -38.5714 46.3732 -199.051 PRESSAVG: 2660200 4.0188 49.0897 -6.43045 49.0898 -1.39015 17.9817 -6.43045 17.9817 25.4312 GPRESSAVG: 2660200 4.72157 51.0959 -6.63195 47.345 -0.257114 15.8644 -9.7115 21.2188 23.7169 TIMING: 2660200 CPU: 8409.13, 0.00316217/step Wall: 8409.13, 0.00316217/step, 2.05524 hours remaining, 238.410156 MB of memory in use. ENERGY: 2660200 4002.9205 20406.7623 14495.2087 257.9960 -203560.1292 2441.7435 0.0000 0.0000 51710.2225 -110245.2757 297.1794 -161955.4981 -109886.4832 297.4424 -40.2879 -14.1624 757991.1513 9.3533 9.3938 LDB: ============= START OF LOAD BALANCING ============== 8421.53 LDB: ============== END OF LOAD BALANCING =============== 8421.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8421.53 LDB: ============= START OF LOAD BALANCING ============== 8421.85 LDB: Largest compute 7058 load 0.036379 is 18.6% of average load 0.196016 LDB: Average compute 0.004393 is 2.2% of average load 0.196016 LDB: TIME 8421.85 LOAD: AVG 0.196016 MAX 0.216988 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 8421.85 LOAD: AVG 0.196016 MAX 0.216988 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: TIME 8421.85 LOAD: AVG 0.196016 MAX 0.216988 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: ============== END OF LOAD BALANCING =============== 8421.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8421.86 PRESSURE: 2660400 -128.423 0.728444 54.1176 0.728148 -96.9208 2.01951 54.1175 2.0193 -240.577 GPRESSURE: 2660400 -127.796 122.345 157.793 -88.8648 -100.361 49.5359 -92.498 -8.86644 -168.988 PRESSAVG: 2660400 13.3069 10.1063 -22.9977 10.1062 -26.4605 49.9837 -22.9977 49.9838 -3.89598 GPRESSAVG: 2660400 12.645 8.05236 -23.397 10.6326 -26.2467 50.7049 -22.1204 48.8623 -3.01095 TIMING: 2660400 CPU: 8409.78, 0.00322812/step Wall: 8409.78, 0.00322812/step, 2.09792 hours remaining, 238.414062 MB of memory in use. ENERGY: 2660400 4019.9139 20266.9951 14421.5698 251.2317 -203284.7481 2175.2922 0.0000 0.0000 52002.3862 -110147.3592 298.8584 -162149.7455 -109786.6918 297.6056 -155.3071 -132.3817 758867.8479 -5.6832 -5.5376 PRESSURE: 2660600 224.094 -27.8377 -127.642 -27.8379 64.2155 -96.0413 -127.642 -96.0413 -204.879 GPRESSURE: 2660600 269.919 -33.6496 -104.321 -35.891 51.594 -83.2707 -135.426 -69.7787 -150.872 PRESSAVG: 2660600 -105.198 -27.6209 -38.1432 -27.6209 90.3223 4.74361 -38.1431 4.74362 10.3554 GPRESSAVG: 2660600 -103.562 -26.0002 -37.2466 -28.3614 88.8194 4.71332 -40.0985 5.59506 10.3688 TIMING: 2660600 CPU: 8410.41, 0.00316275/step Wall: 8410.41, 0.00316274/step, 2.05526 hours remaining, 238.414062 MB of memory in use. ENERGY: 2660600 3971.9083 20327.5899 14429.4268 222.6654 -203600.1264 2585.7655 0.0000 0.0000 51913.7221 -110149.0484 298.3489 -162062.7705 -109791.4277 297.9717 27.8101 56.8805 760160.4481 -1.5067 -1.4581 PRESSURE: 2660800 -331.516 -33.0394 -8.23261 -33.0401 -47.8253 -56.0853 -8.23302 -56.0842 -268.109 GPRESSURE: 2660800 -191.928 -120.874 -1.33846 11.1208 -146.965 -103.276 63.6073 -24.8763 -219.627 PRESSAVG: 2660800 -35.1589 -43.74 24.0816 -43.7401 46.6035 16.854 24.0816 16.854 0.966332 GPRESSAVG: 2660800 -34.9694 -46.4266 22.0891 -41.1604 46.4063 17.8322 25.7268 14.959 1.13528 TIMING: 2660800 CPU: 8411.04, 0.00313487/step Wall: 8411.04, 0.00313487/step, 2.03697 hours remaining, 238.414062 MB of memory in use. ENERGY: 2660800 3914.8373 20305.4313 14477.8251 256.1498 -203288.2352 2354.1319 0.0000 0.0000 51877.5265 -110102.3334 298.1409 -161979.8599 -109720.9137 297.5877 -215.8170 -186.1733 761320.0727 4.1370 4.1907 PRESSURE: 2661000 -84.2885 38.892 -170.8 38.8919 -56.9978 -121.826 -170.8 -121.824 -124.643 GPRESSURE: 2661000 -118.481 43.334 -163.577 -12.8598 38.1579 -87.8578 -191.071 -148.469 -105.669 PRESSAVG: 2661000 -8.77939 -37.5547 44.2927 -37.5547 36.87 -10.3064 44.2926 -10.3064 -8.41394 GPRESSAVG: 2661000 -9.90841 -38.2103 45.9254 -37.6949 38.2646 -9.55781 44.9521 -8.65732 -9.19293 TIMING: 2661000 CPU: 8411.67, 0.00315699/step Wall: 8411.67, 0.00315699/step, 2.05117 hours remaining, 238.414062 MB of memory in use. ENERGY: 2661000 3980.2732 20320.0507 14403.5362 269.9919 -203123.8945 1969.6156 0.0000 0.0000 52119.5829 -110060.8440 299.5320 -162180.4269 -109693.4188 297.8061 -88.6431 -61.9977 759257.6091 6.5589 6.3877 PRESSURE: 2661200 -40.5405 -79.6614 198.002 -79.6609 -19.7189 -4.42193 198.002 -4.4209 391.855 GPRESSURE: 2661200 124.529 -17.5194 280.682 12.8137 33.1277 -41.0255 85.5355 -10.9324 266.939 PRESSAVG: 2661200 19.661 -18.2091 -29.5307 -18.2091 3.07483 -67.4013 -29.5307 -67.4013 2.64998 GPRESSAVG: 2661200 19.3106 -14.4292 -29.6662 -18.7572 3.38702 -69.4085 -29.7122 -67.5994 2.86439 TIMING: 2661200 CPU: 8412.3, 0.00314882/step Wall: 8412.3, 0.00314882/step, 2.04568 hours remaining, 238.414062 MB of memory in use. ENERGY: 2661200 4035.5659 20479.8528 14386.4142 258.3365 -203652.3874 2662.0432 0.0000 0.0000 51844.0609 -109986.1138 297.9485 -161830.1747 -109629.3599 297.7801 110.5318 141.5320 759920.7260 8.4619 8.5207 PRESSURE: 2661400 83.2674 -183.409 174.491 -183.409 231.659 -163.85 174.492 -163.85 146.84 GPRESSURE: 2661400 46.3085 -204.467 33.3063 -211.216 235.95 -163.845 181.762 -97.6474 242.369 PRESSAVG: 2661400 -28.4279 -0.644508 -5.29742 -0.644525 14.0199 -13.8322 -5.29745 -13.8321 10.9441 GPRESSAVG: 2661400 -29.0256 -2.92057 -6.45028 -0.678194 14.0083 -13.1871 -3.99339 -11.2964 11.7991 TIMING: 2661400 CPU: 8412.93, 0.00315189/step Wall: 8412.93, 0.00315189/step, 2.0475 hours remaining, 238.414062 MB of memory in use. ENERGY: 2661400 3941.9288 20455.2071 14411.4358 215.7798 -203436.0386 2569.5450 0.0000 0.0000 52024.3471 -109817.7950 298.9846 -161842.1422 -109461.3520 298.7218 153.9222 174.8760 759230.0896 -1.1546 -1.0727 PRESSURE: 2661600 354.26 -2.71409 29.015 -2.71382 -353.462 -84.6542 29.0158 -84.6552 -176.386 GPRESSURE: 2661600 343.197 32.1711 69.7224 -36.0161 -228.77 -27.386 -61.7466 -64.766 -186.657 PRESSAVG: 2661600 -32.5814 -23.1777 -8.95308 -23.1777 16.0928 -15.0479 -8.9531 -15.048 12.5696 GPRESSAVG: 2661600 -31.4196 -21.8216 -7.53687 -24.8668 15.1733 -14.2255 -11.0338 -18.1603 12.2547 TIMING: 2661600 CPU: 8413.55, 0.00313712/step Wall: 8413.55, 0.00313712/step, 2.03773 hours remaining, 238.414062 MB of memory in use. ENERGY: 2661600 3905.8027 20406.0656 14462.9824 223.1638 -203029.4972 2192.4545 0.0000 0.0000 52019.6120 -109819.4162 298.9574 -161839.0282 -109459.2957 298.1782 -58.5293 -24.0764 759156.8969 -1.3063 -1.3305 PRESSURE: 2661800 29.4817 -245.18 85.4754 -245.18 190.115 114.274 85.4761 114.273 -138.38 GPRESSURE: 2661800 115.341 -168.781 152.582 -154.324 117.193 80.5254 -0.00391321 177.797 -52.2676 PRESSAVG: 2661800 -7.52123 -49.1635 -25.1256 -49.1635 -9.63352 -40.4049 -25.1256 -40.4049 -1.50252 GPRESSAVG: 2661800 -7.98576 -48.4388 -25.1385 -48.0688 -9.488 -39.87 -24.8385 -41.2528 -1.8163 TIMING: 2661800 CPU: 8414.19, 0.00315624/step Wall: 8414.19, 0.00315624/step, 2.04998 hours remaining, 238.414062 MB of memory in use. ENERGY: 2661800 4020.0951 20466.5686 14469.5163 241.1364 -203466.7214 2529.9327 0.0000 0.0000 51952.8111 -109786.6612 298.5735 -161739.4723 -109431.0189 298.9290 27.0722 60.0888 759633.8998 -6.2191 -6.4300 PRESSURE: 2662000 34.1028 269.304 -165.389 269.304 -161.524 -53.8214 -165.389 -53.8221 -62.8794 GPRESSURE: 2662000 -34.3659 113.946 -110.76 214.267 -23.2799 39.867 -196.316 -49.0794 -45.8896 PRESSAVG: 2662000 15.1029 -4.57215 21.7044 -4.57215 -48.9696 -27.4124 21.7043 -27.4123 10.0029 GPRESSAVG: 2662000 14.719 -5.98442 21.6715 -3.79781 -48.5625 -28.6398 22.4773 -27.2198 10.0676 TIMING: 2662000 CPU: 8414.82, 0.00315813/step Wall: 8414.82, 0.00315813/step, 2.05103 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2662000 3965.0886 20428.9268 14468.7627 244.1661 -203549.1417 2699.7902 0.0000 0.0000 51769.6004 -109972.8069 297.5206 -161742.4073 -109619.1947 298.3615 -63.4335 -34.5118 759293.0163 -7.9546 -7.9253 PRESSURE: 2662200 -127.831 -52.2598 105.941 -52.2598 -113.974 77.3139 105.94 77.3141 41.5804 GPRESSURE: 2662200 -6.84362 48.8262 149.641 -114.056 -115.631 59.0815 279.859 111.19 38.6282 PRESSAVG: 2662200 56.2769 40.2158 65.6176 40.2158 -59.7206 15.8639 65.6176 15.8639 -17.8478 GPRESSAVG: 2662200 57.0946 40.606 65.6443 36.9811 -60.3144 15.9226 64.1866 16.2993 -18.094 TIMING: 2662200 CPU: 8415.45, 0.00317658/step Wall: 8415.45, 0.00317658/step, 2.06283 hours remaining, 238.414062 MB of memory in use. ENERGY: 2662200 3972.9358 20309.8425 14477.4534 263.4678 -203995.2398 2976.2529 0.0000 0.0000 51857.1681 -110138.1194 298.0239 -161995.2875 -109781.4343 298.0178 -66.7413 -27.9486 758946.9680 -7.0972 -7.1046 PRESSURE: 2662400 220.055 -46.6594 31.7334 -46.6599 33.8112 -39.2334 31.7331 -39.234 -18.4695 GPRESSURE: 2662400 105.799 21.8802 17.297 -111.834 124.708 -13.1887 56.9255 -23.309 87.5056 PRESSAVG: 2662400 1.12435 -5.48468 37.2077 -5.48469 0.421383 -19.7246 37.2077 -19.7246 16.5989 GPRESSAVG: 2662400 0.497861 -6.48723 35.9436 -2.95349 1.19549 -19.5019 38.6709 -19.8896 16.118 TIMING: 2662400 CPU: 8416.08, 0.00313872/step Wall: 8416.08, 0.00313872/step, 2.03808 hours remaining, 238.414062 MB of memory in use. ENERGY: 2662400 3927.0828 20589.1230 14425.7532 246.2932 -203489.9550 2451.8244 0.0000 0.0000 51836.7664 -110013.1120 297.9066 -161849.8784 -109656.4971 298.2208 78.4656 106.0043 759239.6898 6.0482 5.9371 PRESSURE: 2662600 169.891 77.6946 -16.9443 77.6941 -152.854 -139.145 -16.9446 -139.144 -25.9399 GPRESSURE: 2662600 246.595 60.0848 -115.552 67.3532 -94.5158 -146.632 87.1815 -165.395 -77.7942 PRESSAVG: 2662600 17.413 -5.31574 36.6179 -5.31573 -48.2601 -10.7614 36.6179 -10.7615 -6.27271 GPRESSAVG: 2662600 17.4554 -5.26325 36.3696 -5.23469 -50.1496 -10.2368 35.9436 -10.0954 -4.27452 TIMING: 2662600 CPU: 8416.71, 0.00315909/step Wall: 8416.71, 0.00315909/step, 2.05113 hours remaining, 238.414062 MB of memory in use. ENERGY: 2662600 4015.7120 20414.0907 14468.4553 242.0646 -203301.8138 2371.3290 0.0000 0.0000 51760.2310 -110029.9313 297.4668 -161790.1623 -109681.2317 298.0591 -2.9677 24.7616 758920.6511 -12.3733 -12.3229 PRESSURE: 2662800 -223.71 -54.5462 216.713 -54.5464 -223.731 -164.471 216.713 -164.471 -208.857 GPRESSURE: 2662800 -221.881 -175.435 149.875 -25.0892 -116.619 -259.871 233.089 -24.6439 -227.416 PRESSAVG: 2662800 -25.8189 -10.9027 14.8434 -10.9027 8.40313 -49.3097 14.8435 -49.3097 -8.66252 GPRESSAVG: 2662800 -24.9293 -7.77524 15.2993 -10.8268 8.40516 -50.129 14.1958 -48.0102 -9.82325 TIMING: 2662800 CPU: 8417.34, 0.00315865/step Wall: 8417.34, 0.00315865/step, 2.05066 hours remaining, 238.414062 MB of memory in use. ENERGY: 2662800 3942.0462 20378.9996 14476.7028 253.6918 -203238.0843 2151.3424 0.0000 0.0000 51854.2621 -110181.0395 298.0072 -162035.3016 -109831.3963 297.6810 -218.7661 -188.6385 759616.6435 -8.6928 -8.7825 PRESSURE: 2663000 228.956 138.349 221.204 138.35 164.877 -293.971 221.204 -293.971 159.089 GPRESSURE: 2663000 285.032 241.099 87.7828 98.9765 157.138 -368.929 225.164 -237.291 178.172 PRESSAVG: 2663000 24.4871 22.1241 -30.3782 22.1241 -43.539 -69.7071 -30.3782 -69.707 1.71956 GPRESSAVG: 2663000 24.6714 20.335 -31.778 20.897 -43.0531 -68.4849 -27.3616 -71.732 1.19968 TIMING: 2663000 CPU: 8417.98, 0.00315632/step Wall: 8417.98, 0.00315632/step, 2.04898 hours remaining, 238.414062 MB of memory in use. ENERGY: 2663000 3926.3515 20417.1221 14499.5003 234.3060 -203553.1650 2389.7984 0.0000 0.0000 51898.9955 -110187.0912 298.2642 -162086.0867 -109831.2166 298.0113 184.3072 206.7810 757281.7095 -5.7775 -5.7273 PRESSURE: 2663200 -81.4999 -58.59 184.005 -58.5895 277.787 -8.13143 184.004 -8.13187 26.7845 GPRESSURE: 2663200 -23.6584 -3.82393 129.561 -56.4027 341.052 51.7116 167.594 -151.207 -3.24628 PRESSAVG: 2663200 38.3543 -56.6489 1.88067 -56.6489 -30.1638 0.937971 1.88063 0.937919 -10.9767 GPRESSAVG: 2663200 37.803 -57.8035 2.45547 -56.0701 -29.744 0.493244 0.63859 1.12701 -10.7061 TIMING: 2663200 CPU: 8418.61, 0.00315684/step Wall: 8418.61, 0.00315684/step, 2.04914 hours remaining, 238.414062 MB of memory in use. ENERGY: 2663200 3890.8929 20190.8247 14490.0807 250.6204 -203671.7139 2410.8102 0.0000 0.0000 52020.9788 -110417.5063 298.9653 -162438.4851 -110052.6477 297.8177 74.3573 104.7158 758788.0518 -0.9287 -0.8824 PRESSURE: 2663400 -321.876 156.288 -158.879 156.288 -145.464 -115.357 -158.879 -115.356 21.8397 GPRESSURE: 2663400 -190.798 50.4393 -166.523 168.186 -181.411 -108.468 45.0018 -226.998 34.6849 PRESSAVG: 2663400 31.9275 -19.9135 1.6516 -19.9134 4.0943 20.2146 1.65161 20.2147 -4.63994 GPRESSAVG: 2663400 32.5405 -19.7152 2.6288 -18.9453 4.06604 20.2527 1.44231 21.2757 -4.66808 TIMING: 2663400 CPU: 8419.24, 0.00314963/step Wall: 8419.24, 0.00314963/step, 2.04428 hours remaining, 238.414062 MB of memory in use. ENERGY: 2663400 3904.7698 20246.9631 14551.2130 232.3490 -203665.1041 2359.8463 0.0000 0.0000 52051.6291 -110318.3338 299.1414 -162369.9629 -109955.0516 297.3339 -148.5003 -112.5081 759475.0347 10.4606 10.6462 PRESSURE: 2663600 -324.053 25.6578 -128.937 25.6579 57.8811 111.456 -128.938 111.457 249.488 GPRESSURE: 2663600 -228.224 -8.91588 -192.307 -79.8279 65.6432 121.182 -193.026 58.4346 233.368 PRESSAVG: 2663600 28.9935 -44.0698 -21.8355 -44.0699 -11.7859 32.9341 -21.8355 32.9341 10.7552 GPRESSAVG: 2663600 27.0082 -42.8564 -20.4624 -44.1297 -11.5868 32.6578 -22.089 32.2628 12.376 TIMING: 2663600 CPU: 8419.86, 0.00313849/step Wall: 8419.86, 0.00313849/step, 2.03688 hours remaining, 238.414062 MB of memory in use. ENERGY: 2663600 3956.8159 20404.5563 14463.0496 240.3703 -203348.6349 2347.2483 0.0000 0.0000 51718.6505 -110217.9439 297.2278 -161936.5944 -109858.5634 297.7090 -5.5613 23.5957 759814.6126 9.3210 9.2658 PRESSURE: 2663800 -21.0656 0.572179 -208.556 0.571698 46.9492 170.508 -208.556 170.508 37.7792 GPRESSURE: 2663800 15.4274 60.1883 -117.536 -29.237 97.327 154.759 -150.061 207.697 68.9119 PRESSAVG: 2663800 33.7908 -1.30492 -28.9075 -1.30492 -47.1224 26.4195 -28.9076 26.4195 -8.12035 GPRESSAVG: 2663800 35.7263 -0.728459 -30.765 -2.0791 -47.4395 27.067 -29.2841 26.5059 -9.3455 TIMING: 2663800 CPU: 8420.5, 0.00315413/step Wall: 8420.5, 0.00315413/step, 2.04685 hours remaining, 238.414062 MB of memory in use. ENERGY: 2663800 3955.5345 20522.4410 14515.0647 252.6279 -203304.7211 2302.4191 0.0000 0.0000 51784.3068 -109972.3271 297.6051 -161756.6339 -109623.5911 297.9258 21.2209 60.5554 759673.7180 -7.1507 -7.0195 PRESSURE: 2664000 -138.076 76.4107 13.6575 76.4096 56.8321 141.495 13.6583 141.495 -102.525 GPRESSURE: 2664000 -98.7534 223.281 -36.0465 98.3884 37.2241 149.471 -28.8091 178.04 -44.1938 PRESSAVG: 2664000 30.5415 10.6706 -29.7619 10.6706 -61.8058 8.7594 -29.7619 8.75946 0.504551 GPRESSAVG: 2664000 30.5991 8.85252 -29.9558 10.9977 -61.2727 8.65491 -27.9314 7.22391 -0.112053 TIMING: 2664000 CPU: 8421.13, 0.00315288/step Wall: 8421.13, 0.00315288/step, 2.04587 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2664000 3920.4180 20496.1420 14520.8051 246.3188 -203467.6080 2282.5713 0.0000 0.0000 51884.1053 -110117.2474 298.1787 -162001.3527 -109763.6545 298.4706 -61.2566 -35.2410 759072.1323 -10.2532 -10.2619 PRESSURE: 2664200 -308.748 181.674 262.25 181.674 -123.13 -63.4187 262.25 -63.4192 -151.118 GPRESSURE: 2664200 -260.177 119.569 273.679 175.954 -82.0521 -102.612 188.772 -122.967 -165.901 PRESSAVG: 2664200 -0.888119 27.3801 -40.4505 27.3801 -21.702 -22.2179 -40.4505 -22.2179 5.52935 GPRESSAVG: 2664200 -1.56444 30.8141 -39.1989 25.8463 -22.4222 -21.663 -41.606 -21.6392 7.01044 TIMING: 2664200 CPU: 8421.76, 0.00315963/step Wall: 8421.76, 0.00315962/step, 2.05007 hours remaining, 238.414062 MB of memory in use. ENERGY: 2664200 3982.2356 20469.0906 14513.3667 258.5922 -203176.8415 2182.3943 0.0000 0.0000 51709.1940 -110061.9681 297.1734 -161771.1621 -109710.2162 298.0233 -194.3321 -169.3768 759501.2618 -5.6869 -5.6587 LDB: ============= START OF LOAD BALANCING ============== 8434.16 LDB: ============== END OF LOAD BALANCING =============== 8434.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8434.16 LDB: ============= START OF LOAD BALANCING ============== 8434.47 LDB: Largest compute 7058 load 0.033784 is 17.2% of average load 0.196076 LDB: Average compute 0.004370 is 2.2% of average load 0.196076 LDB: TIME 8434.48 LOAD: AVG 0.196076 MAX 0.217195 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 8434.48 LOAD: AVG 0.196076 MAX 0.217195 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 8434.48 LOAD: AVG 0.196076 MAX 0.217195 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 8434.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8434.48 PRESSURE: 2664400 141.345 -71.3552 -32.3942 -71.3553 -34.5838 -35.5525 -32.3939 -35.5512 51.9836 GPRESSURE: 2664400 198.18 61.0253 -74.9256 -90.4656 20.1912 -11.5775 -71.7758 -18.9639 27.6132 PRESSAVG: 2664400 -21.8227 -5.19727 -1.91209 -5.19724 29.2575 -42.8259 -1.91213 -42.8259 10.9009 GPRESSAVG: 2664400 -20.6546 -7.64807 -3.16146 -4.8559 29.6045 -43.9013 -2.10354 -41.3726 9.51276 TIMING: 2664400 CPU: 8422.4, 0.00321085/step Wall: 8422.4, 0.00321085/step, 2.08313 hours remaining, 238.468750 MB of memory in use. ENERGY: 2664400 3949.1206 20413.2911 14419.5816 251.6634 -203430.8221 2407.1869 0.0000 0.0000 51917.8296 -110072.1489 298.3725 -161989.9785 -109709.0372 298.0116 52.9150 81.9948 759915.9264 6.1119 6.1542 PRESSURE: 2664600 135.957 -96.9614 -71.9836 -96.9624 -370.365 72.6372 -71.9842 72.6363 -165.908 GPRESSURE: 2664600 191.776 -107.151 -19.0262 -55.3605 -335.425 40.228 19.497 -26.7936 -144.285 PRESSAVG: 2664600 5.00638 69.8083 62.0653 69.8082 20.948 5.56284 62.0653 5.56281 -19.9527 GPRESSAVG: 2664600 6.04644 70.7886 61.9122 70.3451 19.4523 7.53698 60.6813 3.76865 -19.5051 TIMING: 2664600 CPU: 8423.03, 0.00313365/step Wall: 8423.03, 0.00313365/step, 2.03287 hours remaining, 238.468750 MB of memory in use. ENERGY: 2664600 3940.5397 20349.4297 14497.8130 242.7724 -203863.5983 2791.9008 0.0000 0.0000 52039.9130 -110001.2297 299.0741 -162041.1427 -109627.6273 298.1768 -133.4388 -95.9782 759810.0907 2.0006 1.9979 PRESSURE: 2664800 -41.0446 -48.2255 248.786 -48.2255 -254.588 -134.132 248.786 -134.134 -18.0032 GPRESSURE: 2664800 -44.189 86.2834 201.018 -135.474 -189.308 -155.014 275.44 -142.288 18.48 PRESSAVG: 2664800 22.3611 -30.7555 70.6505 -30.7554 -22.9128 16.6609 70.6505 16.6608 12.4752 GPRESSAVG: 2664800 20.6572 -33.4656 71.4991 -31.6675 -20.8757 15.1144 70.9755 16.7102 12.3599 TIMING: 2664800 CPU: 8423.66, 0.00315787/step Wall: 8423.66, 0.00315787/step, 2.04841 hours remaining, 238.468750 MB of memory in use. ENERGY: 2664800 3912.5440 20589.4376 14472.6581 250.0722 -203311.9630 2451.2968 0.0000 0.0000 51892.3668 -109743.5876 298.2261 -161635.9544 -109382.1922 298.5095 -104.5451 -71.6724 761386.4797 3.9745 4.0471 PRESSURE: 2665000 -162.035 212.456 22.2957 212.457 -240.876 -266.652 22.2969 -266.652 -330.298 GPRESSURE: 2665000 -175.032 204.715 144.521 186.836 -211.069 -172.209 9.14529 -199.042 -261.75 PRESSAVG: 2665000 1.71521 -17.2015 10.0813 -17.2015 -0.155882 18.6374 10.0813 18.6374 -7.57672 GPRESSAVG: 2665000 2.51926 -15.8289 11.3737 -15.6786 -1.38655 17.918 8.56801 19.3971 -7.35992 TIMING: 2665000 CPU: 8424.29, 0.00314966/step Wall: 8424.29, 0.00314966/step, 2.04291 hours remaining, 238.468750 MB of memory in use. ENERGY: 2665000 4024.1697 20526.8509 14437.5587 231.5682 -203466.4389 2572.5309 0.0000 0.0000 51977.5760 -109696.1844 298.7158 -161673.7605 -109336.5369 299.0882 -244.4029 -215.9501 762663.0027 -2.0058 -2.0757 PRESSURE: 2665200 -176.808 142.081 -105.259 142.081 -161.908 -163.15 -105.259 -163.149 168.638 GPRESSURE: 2665200 -114.68 185.34 -195.763 148.378 -116.663 -148.044 36.8575 -121.713 125.983 PRESSAVG: 2665200 16.3409 -27.4943 -42.0135 -27.4943 13.6678 -12.9667 -42.0135 -12.9667 -1.88397 GPRESSAVG: 2665200 15.5621 -27.3511 -43.3151 -27.7492 15.4898 -11.4436 -39.3081 -14.2858 -2.46107 TIMING: 2665200 CPU: 8424.92, 0.00313498/step Wall: 8424.92, 0.00313498/step, 2.03321 hours remaining, 238.468750 MB of memory in use. ENERGY: 2665200 3988.3513 20452.3257 14420.3062 235.2617 -203556.3933 2570.8949 0.0000 0.0000 52365.6530 -109523.6005 300.9461 -161889.2535 -109150.6741 299.3243 -56.6924 -35.1202 761523.0454 9.3749 9.5303 PRESSURE: 2665400 46.4204 -274.833 -3.16198 -274.833 -206.717 31.9223 -3.1634 31.9214 -263.597 GPRESSURE: 2665400 51.4549 -140.906 -80.9511 -253.663 -120.102 8.50641 100.596 83.536 -264.62 PRESSAVG: 2665400 -32.077 -10.666 18.503 -10.666 -11.899 28.6291 18.503 28.629 -6.94505 GPRESSAVG: 2665400 -30.7986 -10.0811 17.0276 -10.5216 -12.9788 28.7384 20.376 29.9992 -6.99218 TIMING: 2665400 CPU: 8425.55, 0.00315164/step Wall: 8425.55, 0.00315164/step, 2.04384 hours remaining, 238.468750 MB of memory in use. ENERGY: 2665400 4060.8819 20503.1683 14493.1958 255.9626 -203321.3074 2217.7314 0.0000 0.0000 52122.9617 -109667.4057 299.5514 -161790.3673 -109304.7361 299.2047 -141.2979 -111.0890 760571.1106 -16.9737 -16.9232 PRESSURE: 2665600 -267.677 -45.1774 82.8834 -45.1789 96.8187 -100.839 82.8837 -100.839 -279.614 GPRESSURE: 2665600 -120.082 -54.2628 97.7628 -103.723 127.628 -183.044 85.433 -64.7548 -364.498 PRESSAVG: 2665600 5.58736 -39.6321 36.4591 -39.6322 0.507493 -20.0307 36.459 -20.0307 -7.9439 GPRESSAVG: 2665600 5.29286 -38.8394 36.548 -38.1058 0.546467 -21.2229 36.2577 -20.6063 -7.59093 TIMING: 2665600 CPU: 8426.17, 0.00313742/step Wall: 8426.17, 0.00313741/step, 2.03444 hours remaining, 238.468750 MB of memory in use. ENERGY: 2665600 4006.2755 20401.2920 14480.2224 243.2474 -203505.3444 2469.3582 0.0000 0.0000 52075.2521 -109829.6968 299.2772 -161904.9489 -109466.5184 298.8835 -150.1576 -118.9841 761306.3992 -0.6164 -0.5839 PRESSURE: 2665800 -78.5503 -86.2101 -106.992 -86.2102 351.019 -112.52 -106.992 -112.52 4.66754 GPRESSURE: 2665800 17.8034 -15.1089 -146.665 -112.144 330.214 -127.019 -194.961 -154.424 30.6048 PRESSAVG: 2665800 -14.2838 -40.2088 18.5465 -40.2089 27.395 -20.4288 18.5465 -20.4288 30.0076 GPRESSAVG: 2665800 -14.6223 -40.675 18.6798 -41.0587 26.8631 -20.3382 15.4362 -20.6637 30.5482 TIMING: 2665800 CPU: 8426.8, 0.00315691/step Wall: 8426.8, 0.00315691/step, 2.0469 hours remaining, 238.468750 MB of memory in use. ENERGY: 2665800 3966.5547 20594.6171 14550.8247 239.6902 -203352.7395 2455.6990 0.0000 0.0000 51769.6476 -109775.7061 297.5209 -161545.3537 -109416.8484 298.4661 92.3789 126.2073 759993.1995 14.3729 14.2630 PRESSURE: 2666000 52.4984 52.1526 55.1759 52.1535 -53.7647 16.5218 55.177 16.5205 -349.086 GPRESSURE: 2666000 118.583 89.0453 19.4364 -71.3269 -63.5036 19.0218 42.9786 -24.0952 -319.967 PRESSAVG: 2666000 16.0695 -26.6378 43.4619 -26.6378 -5.87314 22.078 43.462 22.078 -5.66155 GPRESSAVG: 2666000 16.4846 -28.7871 44.6391 -25.1498 -6.35254 21.9294 43.4198 22.1204 -5.70269 TIMING: 2666000 CPU: 8427.43, 0.00314216/step Wall: 8427.43, 0.00314216/step, 2.03717 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2666000 3979.9518 20539.7051 14467.0756 247.7448 -203106.0048 2053.3081 0.0000 0.0000 52072.8722 -109745.3472 299.2635 -161818.2194 -109379.7993 298.9288 -116.7842 -88.2959 758234.9535 1.5116 1.4764 PRESSURE: 2666200 -158.801 50.8788 23.2816 50.8778 -54.7619 45.115 23.2813 45.1151 -710.738 GPRESSURE: 2666200 -196.6 -52.8481 17.4149 -22.0417 -81.3708 41.061 28.762 51.9907 -571.799 PRESSAVG: 2666200 -1.60609 14.0899 48.8026 14.0899 -0.0423641 -20.642 48.8025 -20.6421 5.17223 GPRESSAVG: 2666200 -3.46758 15.1054 46.0088 10.5165 1.72522 -18.2835 50.7183 -19.9237 4.84924 TIMING: 2666200 CPU: 8428.06, 0.00312832/step Wall: 8428.06, 0.00312832/step, 2.02802 hours remaining, 238.468750 MB of memory in use. ENERGY: 2666200 4029.0701 20723.2518 14502.3418 277.1839 -203418.5437 2255.4708 0.0000 0.0000 52074.0026 -109557.2227 299.2700 -161631.2254 -109195.2965 299.4351 -308.1003 -283.2564 761228.3392 1.1746 1.0356 PRESSURE: 2666400 -201.854 -22.9668 -40.2392 -22.9658 -91.2423 -6.26515 -40.2387 -6.2655 -68.1353 GPRESSURE: 2666400 -148.687 -136.705 43.7684 15.2778 -47.4397 -52.4401 -17.0162 -7.26824 -81.1869 PRESSAVG: 2666400 -40.7464 -14.2213 71.2501 -14.2212 59.8495 -16.9376 71.2502 -16.9377 13.7074 GPRESSAVG: 2666400 -38.7026 -13.8522 71.5901 -14.557 57.8269 -17.0489 71.468 -15.0393 14.0562 TIMING: 2666400 CPU: 8428.69, 0.00314572/step Wall: 8428.69, 0.00314572/step, 2.03912 hours remaining, 238.468750 MB of memory in use. ENERGY: 2666400 4027.9033 20620.5866 14475.7183 233.8505 -203060.5530 2355.7730 0.0000 0.0000 51902.6079 -109444.1134 298.2850 -161346.7213 -109085.0796 299.2646 -120.4106 -92.4377 759697.5491 10.9368 11.0602 PRESSURE: 2666600 -9.5525 -99.6723 -179.066 -99.6726 -96.2114 -202.998 -179.067 -202.999 -345.303 GPRESSURE: 2666600 49.2209 -135.762 -155.996 -34.4588 -68.7755 -140.527 -32.0773 -116.709 -347.24 PRESSAVG: 2666600 -23.7034 17.6491 77.9051 17.6491 35.9363 -39.6456 77.9051 -39.6456 17.6902 GPRESSAVG: 2666600 -23.8364 16.5086 80.1093 19.3626 36.6076 -41.0871 75.406 -40.2513 17.6069 TIMING: 2666600 CPU: 8429.32, 0.00315234/step Wall: 8429.32, 0.00315234/step, 2.04324 hours remaining, 238.468750 MB of memory in use. ENERGY: 2666600 4004.1942 20610.0247 14508.4099 268.2431 -203291.2900 2314.2304 0.0000 0.0000 52066.7973 -109519.3903 299.2286 -161586.1876 -109160.6903 299.4192 -150.3555 -122.2649 759539.9940 9.9744 10.1260 PRESSURE: 2666800 -95.0448 19.6989 121.372 19.6993 -460.515 -195.118 121.371 -195.118 7.83352 GPRESSURE: 2666800 -60.6142 -24.7863 119.142 -28.3211 -457.273 -164.922 156.01 -144.706 56.6095 PRESSAVG: 2666800 43.4937 -10.0569 1.55154 -10.0569 12.3945 -9.02919 1.55149 -9.02922 3.73654 GPRESSAVG: 2666800 42.7717 -8.10706 1.04065 -11.6627 13.359 -8.66018 3.22671 -9.27155 3.71587 TIMING: 2666800 CPU: 8429.94, 0.00313052/step Wall: 8429.94, 0.00313052/step, 2.02893 hours remaining, 238.468750 MB of memory in use. ENERGY: 2666800 3924.6854 20650.4571 14512.3740 240.2728 -203458.5914 2473.5109 0.0000 0.0000 52084.0718 -109573.2195 299.3279 -161657.2913 -109215.7411 299.8503 -182.5753 -153.7593 758105.0618 19.8749 19.9488 PRESSURE: 2667000 -47.5763 13.5727 21.0591 13.5734 -84.1619 33.3397 21.0585 33.3396 -219.333 GPRESSURE: 2667000 -38.5421 -55.9232 0.791737 14.064 -16.243 46.3912 108.08 -13.0833 -222.765 PRESSAVG: 2667000 -28.7918 -25.6997 16.4636 -25.6997 0.0364857 -2.69634 16.4636 -2.69631 21.7843 GPRESSAVG: 2667000 -28.9624 -24.8465 17.5211 -25.1919 0.463953 -2.57616 15.4417 -4.6157 21.3936 TIMING: 2667000 CPU: 8430.57, 0.00314576/step Wall: 8430.57, 0.00314576/step, 2.03862 hours remaining, 238.468750 MB of memory in use. ENERGY: 2667000 3927.4855 20632.4472 14505.3145 236.8650 -203748.1628 2569.8099 0.0000 0.0000 52149.0527 -109727.1881 299.7013 -161876.2408 -109359.1361 298.8146 -117.0236 -92.5167 759295.0741 -2.3237 -2.3683 PRESSURE: 2667200 256.945 -168.464 197.44 -168.464 147.936 -0.153534 197.44 -0.153855 206.261 GPRESSURE: 2667200 290.279 -61.3643 193.332 -198.382 204.681 -12.822 144.526 68 218.26 PRESSAVG: 2667200 8.17537 -19.0905 46.4423 -19.0905 31.6526 44.0762 46.4423 44.0762 11.1325 GPRESSAVG: 2667200 8.85748 -20.0926 45.1648 -17.9076 30.6496 42.6503 44.6883 45.8651 11.8634 TIMING: 2667200 CPU: 8431.2, 0.00312563/step Wall: 8431.2, 0.00312563/step, 2.02541 hours remaining, 238.468750 MB of memory in use. ENERGY: 2667200 3936.0839 20336.4523 14460.4624 257.3955 -203876.7768 2824.4467 0.0000 0.0000 52485.2693 -109576.6665 301.6336 -162061.9358 -109214.8992 299.8715 203.7138 237.7398 757035.9716 16.9868 17.1235 PRESSURE: 2667400 -189.667 28.906 -124.998 28.9058 -52.8495 -45.9137 -124.997 -45.9152 192.41 GPRESSURE: 2667400 -61.8203 -40.4015 -287.841 60.4266 -84.1763 -15.6817 -75.168 78.9262 197.258 PRESSAVG: 2667400 -40.665 -10.1166 67.1273 -10.1166 50.5955 -45.5345 67.1273 -45.5344 -1.13663 GPRESSAVG: 2667400 -40.4179 -9.39173 65.5127 -10.3534 49.9753 -45.63 70.4802 -45.783 -0.63809 TIMING: 2667400 CPU: 8431.83, 0.00314819/step Wall: 8431.83, 0.00314819/step, 2.03985 hours remaining, 238.468750 MB of memory in use. ENERGY: 2667400 4112.9677 20469.6593 14467.9258 248.2438 -203091.1604 2365.9468 0.0000 0.0000 52032.2905 -109394.1265 299.0303 -161426.4170 -109040.2797 299.9739 -16.7020 17.0872 759698.0757 2.9313 2.9731 PRESSURE: 2667600 -249.091 -26.6934 -146.758 -26.6934 406.459 -13.1474 -146.757 -13.1472 72.6204 GPRESSURE: 2667600 -208.783 19.4031 -96.4852 -65.6509 406.73 -33.2718 -117.918 -8.38372 106.032 PRESSAVG: 2667600 -49.9072 5.9673 48.5796 5.96728 36.1162 22.2228 48.5796 22.2227 7.39081 GPRESSAVG: 2667600 -48.7037 4.16884 49.9924 5.06766 37.4891 23.277 50.2829 21.2388 4.6071 TIMING: 2667600 CPU: 8432.46, 0.00315735/step Wall: 8432.46, 0.00315735/step, 2.04561 hours remaining, 238.468750 MB of memory in use. ENERGY: 2667600 3925.6064 20651.0145 14337.1195 251.2523 -203851.5591 2766.7658 0.0000 0.0000 52177.6638 -109742.1368 299.8658 -161919.8006 -109383.8538 299.8456 76.6629 101.3265 759898.2338 -2.1334 -2.2025 PRESSURE: 2667800 -140.235 -50.2332 102.2 -50.2334 -251.793 165.849 102.2 165.849 -499.158 GPRESSURE: 2667800 -83.3407 -86.0723 115.817 -106.077 -255.43 201.393 140.155 10.0888 -450.381 PRESSAVG: 2667800 24.711 -58.0997 26.3355 -58.0997 -28.3523 -18.6385 26.3355 -18.6385 -16.9648 GPRESSAVG: 2667800 23.1208 -56.3775 25.7243 -57.4456 -29.7253 -18.8563 27.1543 -17.38 -14.3919 TIMING: 2667800 CPU: 8433.09, 0.00317258/step Wall: 8433.09, 0.00317258/step, 2.0553 hours remaining, 238.468750 MB of memory in use. ENERGY: 2667800 3949.8776 20633.1615 14439.9062 245.0429 -203476.5631 2302.0250 0.0000 0.0000 52050.1145 -109856.4354 299.1327 -161906.5499 -109489.9222 298.6557 -297.0618 -263.0505 759388.7003 -6.8687 -6.9988 PRESSURE: 2668000 178.64 -173.022 379.94 -173.021 17.281 140.755 379.94 140.755 373.164 GPRESSURE: 2668000 164.411 -156.808 414.833 -64.2805 9.24981 51.9814 292.123 165.931 475.903 PRESSAVG: 2668000 6.03479 -18.9105 45.4107 -18.9105 -10.3226 75.9897 45.4106 75.9897 2.21088 GPRESSAVG: 2668000 5.39875 -19.2875 46.9734 -18.8953 -7.83163 76.2386 42.569 74.5388 0.468623 TIMING: 2668000 CPU: 8433.73, 0.00317142/step Wall: 8433.73, 0.00317142/step, 2.05438 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2668000 4034.4549 20698.9173 14446.0741 258.4604 -203836.2618 2585.1704 0.0000 0.0000 51903.8034 -109909.3812 298.2919 -161813.1846 -109558.5973 298.5864 189.6952 216.5212 758366.3779 -0.6923 -0.6548 PRESSURE: 2668200 -91.8073 -223.917 143.846 -223.916 224.298 243.587 143.846 243.586 77.5428 GPRESSURE: 2668200 -63.1842 -311.828 159.4 -94.9286 276.95 273.243 121.938 33.0598 80.7957 PRESSAVG: 2668200 7.08227 -28.7023 88.9002 -28.7024 12.3714 -29.0627 88.9001 -29.0627 26.6136 GPRESSAVG: 2668200 7.20713 -27.883 88.5331 -27.7435 11.2339 -29.4632 87.006 -30.7988 27.513 TIMING: 2668200 CPU: 8434.36, 0.00317178/step Wall: 8434.36, 0.00317178/step, 2.05443 hours remaining, 238.468750 MB of memory in use. ENERGY: 2668200 3933.9368 20564.5037 14493.5142 261.0258 -203818.9979 2609.7008 0.0000 0.0000 51937.5811 -110018.7357 298.4860 -161956.3167 -109655.1495 299.1573 70.0112 98.1873 758807.6926 15.3558 15.3180 LDB: ============= START OF LOAD BALANCING ============== 8446.76 LDB: ============== END OF LOAD BALANCING =============== 8446.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8446.77 LDB: ============= START OF LOAD BALANCING ============== 8447.08 LDB: Largest compute 7028 load 0.033297 is 17.0% of average load 0.195932 LDB: Average compute 0.004377 is 2.2% of average load 0.195932 LDB: TIME 8447.09 LOAD: AVG 0.195932 MAX 0.217467 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 8447.09 LOAD: AVG 0.195932 MAX 0.217467 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 8447.09 LOAD: AVG 0.195932 MAX 0.217467 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 8447.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8447.09 PRESSURE: 2668400 -158.907 224.206 33.1582 224.207 -162.083 9.01079 33.1575 9.01023 -513.666 GPRESSURE: 2668400 -185.432 143.956 59.8931 236.139 -127.421 -18.4457 9.17118 -2.67954 -433.716 PRESSAVG: 2668400 40.5279 -26.548 46.8639 -26.548 -26.8708 17.4551 46.864 17.4551 7.09867 GPRESSAVG: 2668400 41.3839 -27.9689 46.2625 -26.7851 -27.6514 18.7992 48.7629 20.8276 7.22884 TIMING: 2668400 CPU: 8435.01, 0.00323916/step Wall: 8435.01, 0.00323916/step, 2.0979 hours remaining, 240.917969 MB of memory in use. ENERGY: 2668400 4014.9561 20615.1313 14456.6709 263.7375 -203533.0675 2084.7446 0.0000 0.0000 52030.3803 -110067.4467 299.0193 -162097.8270 -109717.2478 298.3065 -278.2187 -248.8565 758005.2472 6.9186 6.9871 PRESSURE: 2668600 222.403 -68.8991 -241.875 -68.8996 -189.595 -124.728 -241.875 -124.729 251.811 GPRESSURE: 2668600 253.842 -133.405 -198.312 -108.753 -175.322 -129.929 -152.915 -99.98 283.824 PRESSAVG: 2668600 68.7019 19.6133 24.1138 19.6133 -62.7308 -58.5927 24.1139 -58.5928 11.7272 GPRESSAVG: 2668600 68.0654 19.1035 27.4567 22.3357 -63.2324 -59.7229 23.4686 -58.6977 12.4132 TIMING: 2668600 CPU: 8435.64, 0.00316089/step Wall: 8435.64, 0.00316089/step, 2.04703 hours remaining, 241.121094 MB of memory in use. ENERGY: 2668600 3940.5453 20542.2865 14457.5080 233.9144 -203277.0726 2166.3391 0.0000 0.0000 51855.5207 -110080.9586 298.0144 -161936.4793 -109708.6567 298.5506 94.8730 120.7815 759055.0672 5.8994 5.7487 PRESSURE: 2668800 -202.194 181.039 136.91 181.039 -88.1477 -19.3387 136.91 -19.3395 141.33 GPRESSURE: 2668800 -146.037 221.056 74.6267 175.19 -49.2771 58.5164 41.1186 8.23327 135.062 PRESSAVG: 2668800 11.914 -32.6916 -6.6 -32.6917 8.71087 -20.8085 -6.59993 -20.8085 30.038 GPRESSAVG: 2668800 11.8827 -32.5144 -9.19239 -35.7058 9.88787 -21.2348 -7.94666 -21.6329 29.0043 TIMING: 2668800 CPU: 8436.28, 0.00316069/step Wall: 8436.28, 0.00316069/step, 2.04672 hours remaining, 241.121094 MB of memory in use. ENERGY: 2668800 3971.5166 20299.8600 14501.5907 266.2437 -203288.6404 2084.7739 0.0000 0.0000 52176.1096 -109988.5458 299.8568 -162164.6555 -109614.9327 298.6197 -49.6705 -20.0840 758954.8350 16.8876 16.9250 PRESSURE: 2669000 263.56 -63.5914 5.32002 -63.5918 -349.65 104.995 5.31994 104.993 448.505 GPRESSURE: 2669000 270.305 38.0354 -8.54063 11.4718 -266.141 131.719 -8.02704 97.1173 436.747 PRESSAVG: 2669000 -7.50791 25.402 46.7458 25.402 -33.0515 4.75597 46.7458 4.75609 8.19109 GPRESSAVG: 2669000 -6.50855 27.0852 45.1656 25.2705 -33.5005 5.74263 47.9896 6.01134 7.73155 TIMING: 2669000 CPU: 8436.91, 0.00315519/step Wall: 8436.91, 0.00315519/step, 2.04298 hours remaining, 241.121094 MB of memory in use. ENERGY: 2669000 3888.8570 20508.0742 14468.0286 252.6431 -203406.0075 2370.2208 0.0000 0.0000 51916.6221 -110001.5616 298.3655 -161918.1837 -109635.6219 298.3958 120.8049 146.9704 760206.2408 -10.7895 -10.7592 PRESSURE: 2669200 173.525 34.4865 -18.1709 34.4867 92.1222 199.749 -18.1706 199.749 146.242 GPRESSURE: 2669200 185.554 -92.3654 25.6383 56.649 136.136 233.024 46.9911 254.917 175.425 PRESSAVG: 2669200 27.1805 -9.36192 53.2359 -9.362 15.7098 -13.962 53.2359 -13.9621 -0.0631481 GPRESSAVG: 2669200 26.4087 -10.1768 55.5643 -7.49376 15.6217 -16.5 53.061 -16.5532 0.999444 TIMING: 2669200 CPU: 8437.54, 0.00317693/step Wall: 8437.54, 0.00317693/step, 2.05689 hours remaining, 241.121094 MB of memory in use. ENERGY: 2669200 4019.1301 20598.2649 14479.7811 232.9939 -203473.6746 2588.4380 0.0000 0.0000 51650.1406 -109904.9259 296.8341 -161555.0665 -109548.9075 298.3045 137.2964 165.7049 758764.9906 14.2757 14.3433 PRESSURE: 2669400 24.1327 1.68982 -33.4793 1.68975 -278.461 -64.7993 -33.4795 -64.7984 149.928 GPRESSURE: 2669400 147.718 33.2353 -81.6828 67.9193 -211.887 -70.3959 -60.6598 -2.80672 78.7569 PRESSAVG: 2669400 42.2173 31.2586 11.8004 31.2585 8.32745 23.5221 11.8004 23.5221 1.19437 GPRESSAVG: 2669400 43.2345 30.6382 11.5425 29.5368 7.44498 25.0497 11.294 24.6719 0.659544 TIMING: 2669400 CPU: 8438.17, 0.00316133/step Wall: 8438.17, 0.00316133/step, 2.04661 hours remaining, 241.121094 MB of memory in use. ENERGY: 2669400 3920.5793 20471.5580 14509.9556 248.2758 -203609.1664 2569.2932 0.0000 0.0000 51833.3743 -110056.1302 297.8871 -161889.5045 -109687.5949 298.5269 -34.8000 4.8626 760023.6887 17.2464 17.1130 PRESSURE: 2669600 -32.7072 -173.396 -53.1707 -173.396 -45.5799 -78.0863 -53.171 -78.087 -14.3133 GPRESSURE: 2669600 -48.9718 -200.471 13.2311 -193.114 -19.5123 -70.2943 -178.941 -108.661 80.5248 PRESSAVG: 2669600 -38.9127 -49.0204 39.8653 -49.0204 72.0114 -55.9882 39.8653 -55.9883 2.23415 GPRESSAVG: 2669600 -38.6814 -47.1784 39.4203 -47.6411 71.3482 -55.0135 40.7576 -55.3446 2.34542 TIMING: 2669600 CPU: 8438.81, 0.00316025/step Wall: 8438.81, 0.00316025/step, 2.04574 hours remaining, 241.121094 MB of memory in use. ENERGY: 2669600 3981.3891 20516.3237 14545.5197 255.0583 -203630.0758 2297.2351 0.0000 0.0000 52114.4125 -109920.1374 299.5022 -162034.5499 -109559.0650 297.9989 -30.8668 4.0136 761032.9235 11.7776 11.6707 PRESSURE: 2669800 -175.636 -185.914 -215.735 -185.915 -114.178 -50.518 -215.735 -50.519 -325.24 GPRESSURE: 2669800 -93.3487 -97.7923 -265.606 -38.5888 -105.685 -113.29 -158.036 -109.165 -328.945 PRESSAVG: 2669800 -4.62316 -48.7654 10.7963 -48.7654 31.2504 -10.7169 10.7964 -10.7169 1.70386 GPRESSAVG: 2669800 -6.30576 -49.3624 11.3395 -47.4311 33.0226 -12.2042 9.35655 -11.9821 1.84669 TIMING: 2669800 CPU: 8439.44, 0.00314654/step Wall: 8439.44, 0.00314654/step, 2.03669 hours remaining, 241.121094 MB of memory in use. ENERGY: 2669800 3989.8704 20496.5758 14428.5389 244.9354 -203185.2848 2302.7922 0.0000 0.0000 51591.4746 -110131.0977 296.4969 -161722.5723 -109768.6861 298.2677 -205.0177 -175.9929 760926.8703 9.4437 9.5212 PRESSURE: 2670000 280.962 -150.091 -46.463 -150.09 294.901 4.50365 -46.4621 4.50354 205.223 GPRESSURE: 2670000 338.109 24.4362 10.4951 -166.497 286.273 -81.5672 81.285 4.31979 229.287 PRESSAVG: 2670000 -44.8222 -20.9984 102.315 -20.9984 29.6982 -31.9713 102.315 -31.9713 1.9286 GPRESSAVG: 2670000 -43.3994 -22.2546 101.637 -22.5363 28.7631 -31.7205 103.045 -31.692 1.4747 TIMING: 2670000 CPU: 8440.06, 0.00313979/step Wall: 8440.06, 0.00313979/step, 2.03214 hours remaining, 241.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2670000 3922.8053 20492.2569 14408.9420 247.9489 -203142.2245 2341.6877 0.0000 0.0000 51894.8884 -109833.6954 298.2406 -161728.5838 -109476.4299 298.1970 260.3620 284.5564 759229.1216 -4.3985 -4.3872 PRESSURE: 2670200 78.993 41.0719 39.4193 41.0733 231.742 -162.062 39.4196 -162.062 170.499 GPRESSURE: 2670200 181.082 -4.76363 48.3975 38.0117 198.974 -128.856 50.606 -249.63 194.278 PRESSAVG: 2670200 -21.7188 -47.1666 23.8907 -47.1666 30.4924 -63.9084 23.8907 -63.9085 15.921 GPRESSAVG: 2670200 -21.4346 -47.1667 22.1793 -45.5954 30.9837 -63.2453 25.6677 -62.7656 15.8748 TIMING: 2670200 CPU: 8440.7, 0.00317093/step Wall: 8440.7, 0.00317093/step, 2.05212 hours remaining, 241.121094 MB of memory in use. ENERGY: 2670200 4041.4363 20607.5679 14483.3137 278.4714 -203858.2814 2492.1869 0.0000 0.0000 52079.1414 -109876.1639 299.2995 -161955.3053 -109516.3194 298.8320 160.4112 191.4446 759136.6140 8.2316 8.4746 PRESSURE: 2670400 0.781609 -90.4179 22.0605 -90.418 105.668 42.725 22.0601 42.7238 46.7254 GPRESSURE: 2670400 24.3727 -47.1142 70.0857 -114.346 89.8508 172.345 -96.7762 -45.0668 108.415 PRESSAVG: 2670400 -64.1024 -13.3317 -1.24257 -13.3317 108.269 -27.4812 -1.24253 -27.4812 -6.98215 GPRESSAVG: 2670400 -64.4276 -13.1157 0.701941 -16.0722 107.165 -28.4346 -2.0755 -27.4041 -5.7164 TIMING: 2670400 CPU: 8441.32, 0.00313692/step Wall: 8441.32, 0.00313692/step, 2.02994 hours remaining, 241.121094 MB of memory in use. ENERGY: 2670400 4074.2804 20451.3809 14472.1712 242.3636 -203761.1715 2512.1200 0.0000 0.0000 52139.8494 -109869.0060 299.6484 -162008.8554 -109504.9606 298.7878 51.0585 74.2127 760214.7281 12.3949 12.3404 PRESSURE: 2670600 -223.763 -0.0220092 25.9 -0.0222913 -89.774 -154.563 25.9002 -154.562 -278.3 GPRESSURE: 2670600 -211.033 -174.08 14.6631 -18.056 -80.8595 -166.225 -28.0939 -186.022 -222.937 PRESSAVG: 2670600 -22.3747 1.24232 -43.6035 1.24227 50.4459 11.5734 -43.6035 11.5734 7.33862 GPRESSAVG: 2670600 -23.5776 -1.59855 -43.407 2.51778 52.2277 11.3602 -44.5402 10.8466 6.83293 TIMING: 2670600 CPU: 8441.95, 0.00313682/step Wall: 8441.95, 0.00313682/step, 2.02969 hours remaining, 241.121094 MB of memory in use. ENERGY: 2670600 4071.0795 20682.7914 14518.2149 243.5946 -203612.2413 2509.1406 0.0000 0.0000 52005.5802 -109581.8401 298.8768 -161587.4203 -109219.8951 299.4109 -197.2791 -171.6099 760407.4328 11.8032 11.8277 PRESSURE: 2670800 -105.332 -218.704 -59.7616 -218.703 -151.189 -102.875 -59.762 -102.876 226.182 GPRESSURE: 2670800 -53.9964 -91.8588 2.92444 -210.019 -137.061 -79.653 -145.918 -130.764 258.611 PRESSAVG: 2670800 11.0352 -35.3303 -27.6869 -35.3302 3.66016 -40.2797 -27.6869 -40.2798 -18.7145 GPRESSAVG: 2670800 11.8284 -31.3272 -28.2259 -36.8283 2.72902 -39.9646 -28.3906 -41.3192 -18.4933 TIMING: 2670800 CPU: 8442.58, 0.0031338/step Wall: 8442.58, 0.0031338/step, 2.02757 hours remaining, 241.121094 MB of memory in use. ENERGY: 2670800 4020.3552 20546.8486 14499.2834 259.6517 -203410.0795 2399.6738 0.0000 0.0000 52020.2961 -109663.9707 298.9614 -161684.2668 -109294.9351 299.5337 -10.1130 22.5179 759810.1563 -1.3397 -1.3119 PRESSURE: 2671000 -162.942 -121.042 -46.202 -121.041 -325.836 -117.409 -46.2022 -117.408 -154.416 GPRESSURE: 2671000 -90.6774 -107.993 -71.3921 -151.304 -275.385 -177.37 -160.987 -27.4108 -197.167 PRESSAVG: 2671000 -18.953 -51.0149 46.4849 -51.0149 40.6132 -20.2297 46.4849 -20.2298 17.3919 GPRESSAVG: 2671000 -18.7119 -53.0275 46.2961 -47.8777 42.1924 -20.017 48.3581 -18.6343 15.813 TIMING: 2671000 CPU: 8443.2, 0.00313125/step Wall: 8443.2, 0.00313125/step, 2.02574 hours remaining, 241.121094 MB of memory in use. ENERGY: 2671000 4019.5565 20661.5423 14462.6963 254.1903 -203689.4875 2595.0657 0.0000 0.0000 52046.5724 -109649.8641 299.1124 -161696.4365 -109304.3061 299.1767 -214.3983 -187.7434 760553.9273 13.0174 13.0978 PRESSURE: 2671200 -255.523 -194.634 76.9231 -194.634 -95.5965 144.774 76.9226 144.775 133.088 GPRESSURE: 2671200 -269.584 -72.857 89.342 -101.547 -40.3999 76.9447 101.453 167.58 167.258 PRESSAVG: 2671200 -69.6431 -23.8212 1.83454 -23.8211 37.2983 39.1555 1.83454 39.1555 -4.36304 GPRESSAVG: 2671200 -69.9155 -21.9268 2.37185 -25.3759 36.2234 38.087 1.38562 40.6614 -2.99026 TIMING: 2671200 CPU: 8443.83, 0.00314571/step Wall: 8443.83, 0.00314571/step, 2.03492 hours remaining, 241.121094 MB of memory in use. ENERGY: 2671200 4001.2947 20513.0394 14445.7526 225.5684 -203832.8999 2777.0563 0.0000 0.0000 52073.2595 -109796.9291 299.2657 -161870.1886 -109445.5436 299.1485 -72.6772 -47.5751 760382.1525 -12.2359 -12.2274 PRESSURE: 2671400 107.812 -207.407 -1.918 -207.407 -232.664 -167.962 -1.918 -167.96 -63.7801 GPRESSURE: 2671400 123.24 -86.3833 -94.6901 -167.736 -178.263 -137.427 -27.6754 -135.295 -45.3164 PRESSAVG: 2671400 -32.7951 -53.3075 60.3929 -53.3075 3.28965 2.08873 60.393 2.08871 -12.0112 GPRESSAVG: 2671400 -33.6013 -54.7822 59.1933 -54.6422 4.31954 3.11144 60.3098 1.0186 -12.4633 TIMING: 2671400 CPU: 8444.46, 0.00314321/step Wall: 8444.46, 0.00314321/step, 2.03313 hours remaining, 241.121094 MB of memory in use. ENERGY: 2671400 3952.1295 20440.0071 14475.3468 260.0782 -203292.5132 2336.8781 0.0000 0.0000 52155.1800 -109672.8934 299.7365 -161828.0734 -109319.6602 299.3228 -62.8774 -33.4463 760981.2588 -13.8389 -13.9150 PRESSURE: 2671600 -90.7876 -63.666 157.651 -63.666 -14.0517 -26.013 157.651 -26.013 -326.534 GPRESSURE: 2671600 -33.8258 5.47007 239.285 -124.415 60.1592 -29.1522 165.644 -88.4585 -400.239 PRESSAVG: 2671600 -9.61075 -34.283 25.0746 -34.2831 20.1019 -28.7987 25.0746 -28.7987 -3.62311 GPRESSAVG: 2671600 -9.66137 -34.6484 26.9778 -34.0526 19.5569 -27.2397 26.6047 -29.1322 -3.24231 TIMING: 2671600 CPU: 8445.09, 0.00314487/step Wall: 8445.09, 0.00314487/step, 2.03403 hours remaining, 241.121094 MB of memory in use. ENERGY: 2671600 4050.1131 20626.3690 14422.2991 240.2310 -203236.9318 2352.7984 0.0000 0.0000 51932.0897 -109613.0316 298.4544 -161545.1213 -109251.4190 299.0044 -143.7911 -124.6350 761151.9875 2.2893 2.2178 PRESSURE: 2671800 -296.101 -20.3367 70.1286 -20.3363 -282.569 -30.6999 70.1283 -30.6999 -295.701 GPRESSURE: 2671800 -275.585 -29.5562 68.7025 -94.5729 -297.147 2.62849 20.7827 -124.188 -215.292 PRESSAVG: 2671800 23.3607 -72.5011 0.768787 -72.5012 -10.744 22.3724 0.768798 22.3723 11.582 GPRESSAVG: 2671800 24.3591 -72.9875 -1.38862 -71.8719 -11.5075 21.0116 1.12826 22.7524 11.6889 TIMING: 2671800 CPU: 8445.72, 0.00316288/step Wall: 8445.72, 0.00316288/step, 2.0455 hours remaining, 241.121094 MB of memory in use. ENERGY: 2671800 3934.9804 20487.1028 14476.4148 277.0459 -203262.4885 2319.9464 0.0000 0.0000 52097.9894 -109669.0088 299.4079 -161766.9981 -109306.3338 298.9404 -291.4568 -262.6746 760576.5573 8.0662 8.1802 PRESSURE: 2672000 326.956 26.8603 42.47 26.8603 330.169 112.455 42.4699 112.455 196.683 GPRESSURE: 2672000 326.913 80.9741 -1.7575 36.4998 432.651 137.726 62.7594 73.8745 184.925 PRESSAVG: 2672000 -4.03468 -61.0152 -53.3904 -61.0152 -7.52921 -16.7156 -53.3904 -16.7156 -9.69059 GPRESSAVG: 2672000 -3.97167 -60.9653 -52.9669 -60.2057 -7.11885 -16.4523 -55.334 -18.6033 -10.3132 TIMING: 2672000 CPU: 8446.36, 0.00315858/step Wall: 8446.36, 0.00315858/step, 2.04255 hours remaining, 241.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2672000 3915.7979 20452.8238 14433.6887 232.6368 -203396.1740 2686.8857 0.0000 0.0000 52131.6402 -109542.7010 299.6013 -161674.3411 -109174.7870 299.3148 284.6025 314.8300 759585.9023 -7.0848 -7.1346 PRESSURE: 2672200 -118.325 -42.5548 -84.6252 -42.5542 122.072 -128.099 -84.6252 -128.1 -129.657 GPRESSURE: 2672200 -40.1391 24.7186 -100.193 -31.4417 124.318 -175.663 -133.394 -64.2974 -122.662 PRESSAVG: 2672200 5.7161 -25.3198 44.7901 -25.3199 -8.23029 -35.6907 44.7902 -35.6907 -2.30594 GPRESSAVG: 2672200 5.85812 -25.4772 45.9984 -24.2665 -8.04458 -34.4409 43.9838 -35.6233 -2.5497 TIMING: 2672200 CPU: 8446.99, 0.003147/step Wall: 8446.99, 0.003147/step, 2.03488 hours remaining, 241.121094 MB of memory in use. ENERGY: 2672200 4029.8652 20438.0986 14427.5264 251.6441 -203264.3705 2396.9970 0.0000 0.0000 52161.2209 -109559.0183 299.7713 -161720.2392 -109201.8937 299.2819 -41.9700 -12.8276 758822.9197 -1.6067 -1.5787 LDB: ============= START OF LOAD BALANCING ============== 8459.38 LDB: ============== END OF LOAD BALANCING =============== 8459.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8459.39 LDB: ============= START OF LOAD BALANCING ============== 8459.7 LDB: Largest compute 7058 load 0.034696 is 17.7% of average load 0.196113 LDB: Average compute 0.004356 is 2.2% of average load 0.196113 LDB: TIME 8459.71 LOAD: AVG 0.196113 MAX 0.217279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 8459.71 LOAD: AVG 0.196113 MAX 0.217279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 8459.71 LOAD: AVG 0.196113 MAX 0.217279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 8459.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8459.71 PRESSURE: 2672400 -387.884 110.342 -146.46 110.341 -95.5245 -167.933 -146.46 -167.933 22.91 GPRESSURE: 2672400 -213.228 79.5739 -161.945 148.06 -21.3372 -308.522 -76.0879 -107.914 -120.648 PRESSAVG: 2672400 -11.4899 -69.2603 8.33428 -69.2602 -28.799 -46.5419 8.33429 -46.5419 -3.63774 GPRESSAVG: 2672400 -11.2991 -66.9875 8.62912 -70.5893 -29.7559 -48.4595 8.31613 -45.6437 -2.88352 TIMING: 2672400 CPU: 8447.63, 0.00323414/step Wall: 8447.63, 0.00323414/step, 2.09105 hours remaining, 238.414062 MB of memory in use. ENERGY: 2672400 3982.4145 20352.9003 14421.3532 234.7733 -203541.9887 2709.9118 0.0000 0.0000 52103.2378 -109737.3977 299.4380 -161840.6356 -109377.7550 299.4689 -153.4994 -118.4044 759573.8523 -14.6422 -14.6462 PRESSURE: 2672600 -69.644 -252.797 229.586 -252.797 279.138 -104.791 229.586 -104.791 275.699 GPRESSURE: 2672600 29.8095 -238.029 286.461 -238.329 220.422 -165.8 233.52 -40.0385 313.355 PRESSAVG: 2672600 -54.6703 28.6876 -47.9321 28.6876 48.5235 -40.1612 -47.9321 -40.1611 -18.4594 GPRESSAVG: 2672600 -55.2986 27.2414 -50.4752 29.7739 49.3589 -39.7533 -45.5396 -42.0116 -18.9114 TIMING: 2672600 CPU: 8448.27, 0.00316404/step Wall: 8448.27, 0.00316404/step, 2.04555 hours remaining, 238.414062 MB of memory in use. ENERGY: 2672600 3959.6920 20434.6845 14474.3695 255.7745 -203603.9565 2783.3932 0.0000 0.0000 51888.6347 -109807.4081 298.2047 -161696.0428 -109440.5129 299.1148 161.7310 187.8621 759577.5586 -8.2021 -8.2837 PRESSURE: 2672800 -124.555 79.6104 226.844 79.6104 -3.8047 -125.267 226.843 -125.266 -225.748 GPRESSURE: 2672800 -78.619 22.3392 273.947 14.3409 48.11 -141.35 225.963 -142.638 -245.081 PRESSAVG: 2672800 31.9566 -6.23998 36.409 -6.23993 1.28314 -38.4037 36.409 -38.4036 6.6195 GPRESSAVG: 2672800 32.2859 -5.8244 38.0379 -6.60501 0.225743 -36.968 34.9043 -36.1508 7.36853 TIMING: 2672800 CPU: 8448.9, 0.00316829/step Wall: 8448.9, 0.00316829/step, 2.04813 hours remaining, 238.414062 MB of memory in use. ENERGY: 2672800 4012.7382 20602.8042 14477.3835 248.3056 -203312.0544 2432.0114 0.0000 0.0000 51897.5282 -109641.2833 298.2558 -161538.8115 -109279.9050 299.0166 -118.0360 -91.8634 760000.0038 13.2864 13.2934 PRESSURE: 2673000 241.333 41.0677 -103.072 41.0672 -106.753 55.9311 -103.071 55.9305 -357.374 GPRESSURE: 2673000 206.8 -19.6252 -112.834 15.9449 -91.249 107.438 5.31034 76.5368 -263.475 PRESSAVG: 2673000 -10.4528 -5.79601 -25.4443 -5.79602 59.356 -19.9962 -25.4444 -19.9962 -23.9779 GPRESSAVG: 2673000 -10.0436 -6.24116 -24.8402 -7.86489 59.4554 -22.1235 -24.0274 -19.5186 -24.6669 TIMING: 2673000 CPU: 8449.53, 0.00314797/step Wall: 8449.53, 0.00314797/step, 2.03481 hours remaining, 238.414062 MB of memory in use. ENERGY: 2673000 3999.4205 20463.8485 14470.9534 239.5409 -202932.3582 2144.3379 0.0000 0.0000 51969.6298 -109644.6272 298.6702 -161614.2570 -109282.6336 299.0182 -74.2646 -49.3079 760038.4239 8.3084 8.2483 PRESSURE: 2673200 -141.292 -152.89 -78.1321 -152.89 -172.393 -91.501 -78.1333 -91.5004 -472.479 GPRESSURE: 2673200 -163.472 -68.2302 -140.679 -139.942 -71.3986 -18.749 -39.2895 -95.197 -453.945 PRESSAVG: 2673200 43.0746 -48.7321 -8.44058 -48.7321 -65.3342 -19.0299 -8.44053 -19.0298 23.9721 GPRESSAVG: 2673200 44.0671 -49.1113 -9.27571 -48.0977 -65.2335 -17.3428 -8.33124 -20.1457 23.1167 TIMING: 2673200 CPU: 8450.16, 0.00313463/step Wall: 8450.16, 0.00313463/step, 2.02601 hours remaining, 238.414062 MB of memory in use. ENERGY: 2673200 4017.9119 20454.5671 14501.8033 225.3610 -203096.7831 2159.0776 0.0000 0.0000 52293.3665 -109444.6958 300.5307 -161738.0623 -109082.7043 298.9672 -262.0549 -229.6049 760396.1499 0.5708 0.6501 PRESSURE: 2673400 116.929 -12.8109 -214.999 -12.8097 -10.1283 -39.2981 -215 -39.2998 333.411 GPRESSURE: 2673400 144.147 -34.248 -164.116 -53.8216 99.3008 -50.2412 -118.205 27.5904 271.99 PRESSAVG: 2673400 37.4087 -18.7117 -3.84663 -18.7117 12.9 -81.658 -3.84665 -81.6581 10.8993 GPRESSAVG: 2673400 36.5134 -16.1144 -4.04999 -17.1634 13.7864 -81.673 -4.29608 -82.4424 11.1472 TIMING: 2673400 CPU: 8450.79, 0.00314992/step Wall: 8450.79, 0.00314992/step, 2.03572 hours remaining, 238.414062 MB of memory in use. ENERGY: 2673400 3947.6543 20489.3999 14487.2511 254.5649 -203190.4430 2505.8463 0.0000 0.0000 52026.5738 -109479.1527 298.9974 -161505.7265 -109110.1490 299.4592 146.7371 171.8129 760604.9613 20.4027 20.4823 PRESSURE: 2673600 -15.5025 98.1721 81.6736 98.173 62.767 -13.054 81.6734 -13.0539 -78.6359 GPRESSURE: 2673600 -32.9453 192.688 -4.04344 -37.8926 85.4891 70.1445 126.08 -30.6539 4.88397 PRESSAVG: 2673600 -12.7881 -56.2148 38.3027 -56.2148 10.2123 -58.5174 38.3027 -58.5174 -11.1866 GPRESSAVG: 2673600 -13.1937 -57.3024 37.7392 -58.3818 9.48571 -59.0603 35.3398 -59.7712 -10.2234 TIMING: 2673600 CPU: 8451.42, 0.00316437/step Wall: 8451.42, 0.00316437/step, 2.04489 hours remaining, 238.414062 MB of memory in use. ENERGY: 2673600 3987.6539 20592.6765 14413.1437 249.9825 -203238.0785 2403.2013 0.0000 0.0000 52211.0695 -109380.3510 300.0577 -161591.4206 -109033.5610 299.8806 -10.4571 19.1426 759496.9299 -4.5875 -4.6438 PRESSURE: 2673800 -291.412 95.0062 -16.9954 95.0062 69.0286 112.909 -16.9959 112.909 -132.543 GPRESSURE: 2673800 -242.7 55.6087 14.3294 -18.7186 53.823 130.837 23.8181 105.918 -94.3051 PRESSAVG: 2673800 10.976 -9.78035 -27.3565 -9.78039 23.4013 -18.3582 -27.3566 -18.3583 -1.89113 GPRESSAVG: 2673800 10.7452 -10.3399 -27.4412 -8.67546 24.0731 -19.0594 -26.6974 -16.1871 -2.55824 TIMING: 2673800 CPU: 8452.05, 0.00313749/step Wall: 8452.05, 0.00313749/step, 2.02734 hours remaining, 238.414062 MB of memory in use. ENERGY: 2673800 3964.5513 20594.2616 14566.1649 249.3757 -203373.6139 2407.6219 0.0000 0.0000 52163.3363 -109428.3023 299.7834 -161591.6385 -109075.8418 299.7531 -118.3090 -94.3940 760553.5895 10.8287 10.7534 PRESSURE: 2674000 -19.7522 -195.839 -32.9429 -195.839 96.0143 103.152 -32.9431 103.153 349.1 GPRESSURE: 2674000 9.92037 -280.483 -89.1188 -311.067 213.28 200.687 -27.3466 80.3149 295.046 PRESSAVG: 2674000 3.60538 -12.3785 -24.46 -12.3785 -8.58584 20.4828 -24.4599 20.4828 13.6411 GPRESSAVG: 2674000 4.10523 -11.3207 -23.5817 -12.2937 -8.66162 21.5557 -23.0295 19.5308 12.6879 TIMING: 2674000 CPU: 8452.68, 0.00315244/step Wall: 8452.68, 0.00315244/step, 2.03682 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2674000 3961.2231 20581.7797 14540.7500 236.3875 -203630.3320 2572.2913 0.0000 0.0000 52335.2241 -109402.6763 300.7713 -161737.9004 -109041.2387 299.6365 141.7874 172.7490 760347.6697 2.8869 2.7105 PRESSURE: 2674200 246.451 -1.24734 -232.115 -1.24745 -365.429 -95.7122 -232.114 -95.712 15.274 GPRESSURE: 2674200 278.636 0.752741 -316.05 -48.3412 -284.163 -184.072 -99.5747 -35.1573 -3.7941 PRESSAVG: 2674200 -40.0294 -19.3352 -32.7276 -19.3352 48.4547 -1.82307 -32.7276 -1.82305 -1.44192 GPRESSAVG: 2674200 -41.4502 -20.927 -32.8989 -17.5523 48.5639 -3.54019 -32.6071 -1.89101 0.0289176 TIMING: 2674200 CPU: 8453.31, 0.00314986/step Wall: 8453.31, 0.00314986/step, 2.03499 hours remaining, 238.414062 MB of memory in use. ENERGY: 2674200 4038.5433 20430.9676 14445.9464 262.2004 -203266.8950 2373.3194 0.0000 0.0000 52281.6001 -109434.3179 300.4631 -161715.9180 -109081.6546 299.7705 -34.5680 -3.1069 759199.4282 2.3278 2.3809 PRESSURE: 2674400 -76.6733 -31.4545 137.703 -31.4554 -15.9122 -95.1322 137.703 -95.1317 -135.674 GPRESSURE: 2674400 -65.9463 67.0629 183.597 -32.858 59.8706 -29.1046 -6.14131 -108.889 -121.368 PRESSAVG: 2674400 0.825491 -33.2072 13.7704 -33.2071 -45.1586 -26.9569 13.7704 -26.9569 17.1982 GPRESSAVG: 2674400 2.04236 -31.7265 13.8727 -33.6185 -45.6313 -25.9178 11.2441 -24.9418 16.6843 TIMING: 2674400 CPU: 8453.93, 0.00312843/step Wall: 8453.93, 0.00312843/step, 2.02096 hours remaining, 238.414062 MB of memory in use. ENERGY: 2674400 4009.3145 20676.3359 14489.8688 233.9065 -203238.9710 2353.9716 0.0000 0.0000 52058.7380 -109416.8358 299.1823 -161475.5738 -109046.8889 299.3545 -76.0863 -42.4813 759972.8880 -9.0450 -8.9682 PRESSURE: 2674600 49.2049 24.755 -138.48 24.7542 -27.3699 -120.458 -138.48 -120.458 -128.038 GPRESSURE: 2674600 175.516 24.0097 -67.5191 85.8219 50.9656 -102.316 -178.95 -54.4477 -236.928 PRESSAVG: 2674600 -7.39524 -21.4593 -19.1382 -21.4593 16.5412 -68.8374 -19.1382 -68.8374 -6.64777 GPRESSAVG: 2674600 -7.28468 -21.7501 -19.7602 -21.8581 17.4183 -67.6107 -16.9144 -70.4023 -6.87251 TIMING: 2674600 CPU: 8454.56, 0.00314601/step Wall: 8454.56, 0.00314601/step, 2.03215 hours remaining, 238.414062 MB of memory in use. ENERGY: 2674600 4031.7833 20521.4010 14459.7870 251.2990 -203505.1785 2697.7680 0.0000 0.0000 52134.3508 -109408.7894 299.6168 -161543.1403 -109047.6810 299.6965 -35.4009 -3.4819 763076.7730 0.8327 1.0870 PRESSURE: 2674800 -161.062 -66.7868 95.027 -66.7873 -203.303 96.6203 95.0268 96.6203 321.657 GPRESSURE: 2674800 -132.125 -54.7236 11.1562 -135.609 -171.006 90.4883 227.081 48.3654 349.704 PRESSAVG: 2674800 25.6365 -38.3398 37.3751 -38.3398 -34.1061 19.9724 37.3751 19.9723 -14.7878 GPRESSAVG: 2674800 24.5034 -38.4826 37.3452 -39.7109 -34.0958 18.8817 39.2804 20.8179 -13.891 TIMING: 2674800 CPU: 8455.19, 0.00314362/step Wall: 8455.19, 0.00314362/step, 2.03043 hours remaining, 238.414062 MB of memory in use. ENERGY: 2674800 3895.7776 20650.3268 14486.4945 237.3819 -202905.1385 2318.6052 0.0000 0.0000 52065.4829 -109251.0696 299.2210 -161316.5525 -108896.2217 299.7571 -14.2360 15.5244 760030.1631 -7.7525 -7.8278 PRESSURE: 2675000 -203.97 2.22745 -36.5424 2.22685 -79.7543 214.602 -36.5426 214.602 262.959 GPRESSURE: 2675000 -43.6278 -2.37275 36.3821 185.447 -74.8066 297.337 -103.139 28.0992 176.55 PRESSAVG: 2675000 14.0636 -62.7466 34.7873 -62.7467 -11.9579 -3.85235 34.7873 -3.85232 -9.20211 GPRESSAVG: 2675000 15.0668 -62.6378 36.2682 -60.9528 -11.802 -1.46577 32.7948 -6.21784 -10.179 TIMING: 2675000 CPU: 8455.82, 0.00313773/step Wall: 8455.82, 0.00313773/step, 2.02645 hours remaining, 238.414062 MB of memory in use. ENERGY: 2675000 3973.6956 20548.2634 14402.1363 223.2825 -203106.2086 2509.9056 0.0000 0.0000 52070.7274 -109378.1978 299.2512 -161448.9252 -109015.8174 299.5009 -6.9218 19.3718 761176.1453 -2.3655 -2.3047 PRESSURE: 2675200 -203.229 -180.918 84.1343 -180.918 -84.4785 28.0179 84.1339 28.0184 164.514 GPRESSURE: 2675200 -194.679 -95.6578 43.7837 -104.492 21.7751 -10.8532 37.1956 -66.4259 128.253 PRESSAVG: 2675200 -80.2364 -26.8602 41.3359 -26.8602 50.6001 18.6711 41.3359 18.6711 2.73134 GPRESSAVG: 2675200 -80.3366 -28.0999 41.5588 -25.8071 50.6254 17.6132 42.5029 18.109 2.87655 TIMING: 2675200 CPU: 8456.44, 0.00313843/step Wall: 8456.44, 0.00313843/step, 2.02673 hours remaining, 238.414062 MB of memory in use. ENERGY: 2675200 4002.1985 20509.8398 14454.8705 239.6057 -202856.7985 2359.6784 0.0000 0.0000 51941.6067 -109348.9988 298.5091 -161290.6056 -108992.7441 298.9433 -41.0645 -14.8835 762804.7406 -8.9683 -8.9449 PRESSURE: 2675400 34.2661 -276.428 194.695 -276.428 143.116 -187.204 194.696 -187.204 -80.9716 GPRESSURE: 2675400 40.0705 -236.485 152.976 -316.646 205.953 -206.481 149.208 -172.681 -69.2158 PRESSAVG: 2675400 18.6308 -81.5553 22.5004 -81.5553 -4.70931 2.07572 22.5005 2.07573 16.3538 GPRESSAVG: 2675400 18.6169 -81.8726 20.6869 -82.0483 -5.92715 0.389311 24.006 3.29405 17.1463 TIMING: 2675400 CPU: 8457.07, 0.00314187/step Wall: 8457.07, 0.00314187/step, 2.02878 hours remaining, 238.414062 MB of memory in use. ENERGY: 2675400 4010.1119 20556.1557 14488.7899 244.8184 -203284.0819 2543.2280 0.0000 0.0000 52118.8578 -109322.1202 299.5278 -161440.9779 -108954.6367 299.3154 32.1368 58.9359 761948.4445 10.0918 9.9453 PRESSURE: 2675600 48.5287 -1.21513 -110.887 -1.21497 159.325 -49.0696 -110.888 -49.0696 -429.439 GPRESSURE: 2675600 154.374 -8.69848 -107.755 -65.0253 33.7038 51.7375 -70.0763 -5.28884 -332.643 PRESSAVG: 2675600 -13.8793 -100.66 49.8522 -100.66 9.47909 16.7337 49.8521 16.7337 -40.7729 GPRESSAVG: 2675600 -13.6349 -100.65 50.2523 -101.195 10.0459 17.7149 49.5726 18.5663 -41.4882 TIMING: 2675600 CPU: 8457.7, 0.00314164/step Wall: 8457.7, 0.00314164/step, 2.02845 hours remaining, 238.414062 MB of memory in use. ENERGY: 2675600 4047.7443 20520.7238 14444.4547 235.8553 -203240.9135 2631.5214 0.0000 0.0000 51959.8203 -109400.7936 298.6138 -161360.6139 -109037.7379 299.7277 -73.8616 -48.1882 761213.6289 -15.0577 -15.0257 PRESSURE: 2675800 -167.859 -1.70521 55.7693 -1.7049 -212.885 85.287 55.7692 85.2866 142.724 GPRESSURE: 2675800 -137.9 18.9481 -0.0134431 -8.7551 -177.108 -22.0312 116.613 123.212 169.365 PRESSAVG: 2675800 -45.4231 -20.8443 37.3719 -20.8443 5.64179 21.239 37.3719 21.2389 -15.9225 GPRESSAVG: 2675800 -46.225 -19.4539 39.5306 -24.0258 5.21099 19.6021 36.137 20.5007 -14.5626 TIMING: 2675800 CPU: 8458.33, 0.003153/step Wall: 8458.33, 0.003153/step, 2.03561 hours remaining, 238.414062 MB of memory in use. ENERGY: 2675800 3936.1129 20540.3103 14488.9192 259.0005 -203234.9408 2511.6311 0.0000 0.0000 52169.5894 -109329.3773 299.8193 -161498.9667 -108967.3910 299.2674 -79.3399 -48.5477 760890.9627 -18.5679 -18.5256 PRESSURE: 2676000 180.111 -389.345 349.325 -389.344 -204.843 -40.2143 349.324 -40.2142 -267.593 GPRESSURE: 2676000 179.192 -235.575 300.563 -371.451 -122.756 -41.4602 315.548 -139.119 -282.194 PRESSAVG: 2676000 23.8331 -47.903 8.89085 -47.903 -20.8638 -35.3174 8.8908 -35.3174 -17.3036 GPRESSAVG: 2676000 23.5294 -47.0996 8.7666 -47.4468 -21.3156 -33.488 9.40541 -35.6465 -16.5121 TIMING: 2676000 CPU: 8458.96, 0.00314875/step Wall: 8458.96, 0.00314875/step, 2.0327 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2676000 4021.7990 20509.6327 14544.8161 230.6025 -202994.0744 2175.1138 0.0000 0.0000 52313.1354 -109198.9747 300.6443 -161512.1101 -108841.0275 300.0561 -97.4417 -75.2524 761749.5477 -4.7781 -4.7661 PRESSURE: 2676200 -117.92 -42.9306 87.7495 -42.9307 -239.203 1.28414 87.7494 1.28327 22.8034 GPRESSURE: 2676200 -94.6435 -17.6006 81.1005 -35.2859 -135.558 -44.3877 73.4981 -138.388 -9.18519 PRESSAVG: 2676200 -21.7929 -44.7318 -14.095 -44.7318 -10.0164 -32.2387 -14.095 -32.2387 24.3962 GPRESSAVG: 2676200 -21.2081 -45.3434 -16.9434 -43.1928 -8.90698 -33.5184 -15.6625 -32.1372 22.6454 TIMING: 2676200 CPU: 8459.59, 0.00314482/step Wall: 8459.59, 0.00314482/step, 2.02998 hours remaining, 238.414062 MB of memory in use. ENERGY: 2676200 3941.2956 20501.4929 14482.9139 243.1370 -203019.3698 2295.7938 0.0000 0.0000 52241.2796 -109313.4570 300.2314 -161554.7366 -108950.4978 300.0098 -111.4398 -79.7954 761788.0560 -2.4710 -2.4899 LDB: ============= START OF LOAD BALANCING ============== 8471.99 LDB: ============== END OF LOAD BALANCING =============== 8471.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8471.99 LDB: ============= START OF LOAD BALANCING ============== 8472.3 LDB: Largest compute 7058 load 0.034877 is 17.8% of average load 0.196029 LDB: Average compute 0.004371 is 2.2% of average load 0.196029 LDB: TIME 8472.31 LOAD: AVG 0.196029 MAX 0.215942 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 8472.31 LOAD: AVG 0.196029 MAX 0.215942 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 8472.31 LOAD: AVG 0.196029 MAX 0.215942 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 8472.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8472.31 PRESSURE: 2676400 48.9761 -73.9525 65.918 -73.9522 -24.9305 -173.343 65.918 -173.343 440.079 GPRESSURE: 2676400 61.3318 -35.7334 216.029 -127.519 36.2933 -197.382 45.9555 -90.1099 445.857 PRESSAVG: 2676400 -41.5106 -66.528 2.54754 -66.528 14.0155 -38.5208 2.54749 -38.5208 -5.33465 GPRESSAVG: 2676400 -42.036 -66.7673 3.52598 -66.4719 15.529 -38.0534 4.33348 -39.3997 -5.60378 TIMING: 2676400 CPU: 8460.23, 0.00320022/step Wall: 8460.23, 0.00320022/step, 2.06557 hours remaining, 237.332031 MB of memory in use. ENERGY: 2676400 3918.6694 20538.6762 14417.9028 244.7045 -203219.7108 2349.7965 0.0000 0.0000 52300.9047 -109449.0568 300.5740 -161749.9615 -109083.8398 299.9198 154.7081 181.1608 760201.4764 -10.9433 -10.7036 PRESSURE: 2676600 -258.711 -1.77966 -137.863 -1.77908 -298.025 225.11 -137.863 225.108 -265.146 GPRESSURE: 2676600 -173.305 -47.2898 -140.863 3.16075 -270.289 229.673 -202.687 87.4062 -282.811 PRESSAVG: 2676600 -21.9092 -10.5019 28.8867 -10.5018 13.9753 -5.24201 28.8867 -5.24199 -12.2994 GPRESSAVG: 2676600 -22.6846 -10.5754 29.7059 -11.1541 13.1152 -3.9138 26.4097 -4.78457 -10.7499 TIMING: 2676600 CPU: 8460.86, 0.00314156/step Wall: 8460.86, 0.00314156/step, 2.02753 hours remaining, 237.332031 MB of memory in use. ENERGY: 2676600 4026.9027 20392.6900 14451.4118 247.1416 -203118.2953 2458.6211 0.0000 0.0000 52124.0415 -109417.4865 299.5576 -161541.5280 -109057.0025 299.6467 -273.9608 -242.1350 761871.8859 -6.7444 -6.7731 PRESSURE: 2676800 51.846 166.692 -27.2409 166.692 -95.8851 -217.292 -27.2412 -217.292 -256.133 GPRESSURE: 2676800 82.7732 -16.3736 -34.0512 185.169 -79.6872 -168.556 -71.8912 -147.483 -197.29 PRESSAVG: 2676800 6.08036 -12.0874 8.45813 -12.0874 -0.0171746 17.1896 8.45808 17.1896 -20.8623 GPRESSAVG: 2676800 6.7402 -13.5442 7.30128 -10.6736 0.224565 15.1923 10.5906 18.9084 -21.9344 TIMING: 2676800 CPU: 8461.49, 0.00315419/step Wall: 8461.49, 0.00315419/step, 2.0355 hours remaining, 237.332031 MB of memory in use. ENERGY: 2676800 4029.2643 20554.1765 14501.5353 246.4102 -203251.2899 2686.7046 0.0000 0.0000 51906.7105 -109326.4884 298.3086 -161233.1989 -108976.2630 299.8391 -100.0572 -64.7346 761304.2809 -4.9330 -4.9899 PRESSURE: 2677000 6.36544 87.0023 -92.9329 87.0021 -317.09 -71.1018 -92.9329 -71.1013 -383.263 GPRESSURE: 2677000 -16.8801 128.608 -119.747 27.8023 -273.47 -29.3101 8.20685 -60.7261 -317.499 PRESSAVG: 2677000 3.22881 -29.3793 -8.32728 -29.3793 4.83694 -36.6968 -8.32729 -36.6969 -18.14 GPRESSAVG: 2677000 3.62026 -27.9397 -7.42652 -29.7867 5.14194 -34.489 -9.10351 -37.9869 -18.9925 TIMING: 2677000 CPU: 8462.12, 0.00314123/step Wall: 8462.12, 0.00314123/step, 2.02697 hours remaining, 237.332031 MB of memory in use. ENERGY: 2677000 4014.9238 20606.5712 14424.3225 254.7232 -203014.6864 2267.9177 0.0000 0.0000 51999.5554 -109446.6726 298.8422 -161446.2281 -109084.1232 299.7009 -231.3290 -202.6163 761914.0086 -3.3581 -3.4101 PRESSURE: 2677200 249.152 25.3007 -28.1145 25.3011 -32.5963 -199.329 -28.1147 -199.329 130.218 GPRESSURE: 2677200 157.684 4.06399 -58.4892 82.7102 97.4867 -218.915 -96.0462 -52.2176 175.859 PRESSAVG: 2677200 -5.37948 -105.754 -2.96688 -105.754 3.68464 -44.7896 -2.96688 -44.7895 -17.2008 GPRESSAVG: 2677200 -5.74492 -106.301 -4.19541 -104.902 3.18968 -46.0183 -2.64052 -44.523 -16.4289 TIMING: 2677200 CPU: 8462.75, 0.00314638/step Wall: 8462.75, 0.00314638/step, 2.03012 hours remaining, 237.332031 MB of memory in use. ENERGY: 2677200 3979.5811 20492.9543 14541.0705 256.7563 -203390.0690 2313.7429 0.0000 0.0000 52099.4433 -109706.5206 299.4162 -161805.9639 -109352.7978 298.8449 115.5913 143.6764 759585.3977 -6.2986 -6.3280 PRESSURE: 2677400 -519.231 48.4764 104.423 48.4759 -239.559 204.526 104.423 204.526 -496.768 GPRESSURE: 2677400 -413.192 63.9669 166.099 -26.0146 -218.438 156.573 125.618 275.792 -533.931 PRESSAVG: 2677400 -14.485 -9.05075 29.0445 -9.05076 74.4251 -13.4782 29.0445 -13.4781 10.3658 GPRESSAVG: 2677400 -14.3686 -8.69782 31.1727 -10.2381 74.1565 -13.2697 27.1938 -14.1618 10.3042 TIMING: 2677400 CPU: 8463.38, 0.00316592/step Wall: 8463.38, 0.00316592/step, 2.04254 hours remaining, 237.332031 MB of memory in use. ENERGY: 2677400 4026.2224 20540.7509 14457.1556 244.8576 -203335.9145 2291.5671 0.0000 0.0000 52148.7671 -109626.5937 299.6997 -161775.3608 -109268.1400 299.1316 -418.5196 -388.5204 760672.3508 23.4353 23.3640 PRESSURE: 2677600 -70.1851 65.7808 234.396 65.7813 156.011 -57.025 234.395 -57.0255 253.929 GPRESSURE: 2677600 -7.305 7.5425 205.209 -6.82759 172.992 -13.7986 278.468 -79.4902 269.476 PRESSAVG: 2677600 -2.81601 -54.6685 -13.1907 -54.6685 29.0269 14.5612 -13.1907 14.5612 -3.37484 GPRESSAVG: 2677600 -3.08947 -54.7488 -15.6132 -55.1534 30.1314 13.8053 -10.2942 16.5348 -4.06268 TIMING: 2677600 CPU: 8464.01, 0.00314138/step Wall: 8464.01, 0.00314138/step, 2.02654 hours remaining, 237.332031 MB of memory in use. ENERGY: 2677600 3918.3905 20619.3268 14576.1311 243.2102 -203555.2605 2657.1806 0.0000 0.0000 51949.6219 -109591.3994 298.5552 -161541.0213 -109227.0732 299.5144 113.2516 145.0543 758305.4963 7.6120 7.6598 PRESSURE: 2677800 -209.175 -211.189 72.4062 -211.188 -36.6343 -161.636 72.4057 -161.637 219.449 GPRESSURE: 2677800 -72.1384 -173.261 150.448 -136.83 -32.6012 -200.061 75.0899 -66.819 175.092 PRESSAVG: 2677800 -46.2881 -43.8632 49.2505 -43.8631 12.9842 -2.37476 49.2505 -2.37482 18.2025 GPRESSAVG: 2677800 -45.2802 -43.35 51.1768 -43.7313 12.2453 -2.98117 46.4574 -2.07758 17.4935 TIMING: 2677800 CPU: 8464.64, 0.0031341/step Wall: 8464.64, 0.0031341/step, 2.02167 hours remaining, 237.332031 MB of memory in use. ENERGY: 2677800 3944.4192 20743.3711 14520.9222 250.3856 -203637.2757 2607.7983 0.0000 0.0000 52014.1656 -109556.2137 298.9261 -161570.3794 -109187.9675 299.4972 -8.7868 23.4509 759252.7927 -5.0338 -5.1805 PRESSURE: 2678000 -16.7198 84.59 150.945 84.5893 -148.8 -59.0313 150.946 -59.0301 49.7371 GPRESSURE: 2678000 -29.0093 122.549 107.34 15.9118 -31.4602 -51.7006 177.788 -79.2322 56.0404 PRESSAVG: 2678000 60.697 -66.6824 46.9625 -66.6824 -106.757 -11.4352 46.9625 -11.4352 5.94089 GPRESSAVG: 2678000 59.7935 -65.8391 46.4105 -67.653 -107.073 -9.16801 47.3457 -14.3498 7.70122 TIMING: 2678000 CPU: 8465.27, 0.00315105/step Wall: 8465.27, 0.00315105/step, 2.03242 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2678000 3997.4362 20505.2250 14527.2403 233.6724 -203175.4771 2409.4444 0.0000 0.0000 51885.1995 -109617.2592 298.1850 -161502.4588 -109258.7591 299.3102 -38.5944 -1.4764 759677.5263 -13.3731 -13.1927 PRESSURE: 2678200 156.355 8.73897 -22.8399 8.73989 177.618 -125.762 -22.8397 -125.762 176.281 GPRESSURE: 2678200 185.852 -24.9013 -90.7351 45.7742 212.182 -114.311 -140.392 29.6172 185.236 PRESSAVG: 2678200 43.2522 -19.7621 -15.9728 -19.762 -8.30841 -30.901 -15.9727 -30.9009 -3.30731 GPRESSAVG: 2678200 42.6826 -19.4335 -15.8364 -19.3156 -7.59705 -32.7633 -15.9364 -29.6071 -3.66479 TIMING: 2678200 CPU: 8465.9, 0.00317004/step Wall: 8465.9, 0.00317005/step, 2.0445 hours remaining, 237.332031 MB of memory in use. ENERGY: 2678200 4004.3029 20450.9595 14587.4945 246.3010 -203845.4251 2751.6307 0.0000 0.0000 52005.6603 -109799.0763 298.8772 -161804.7365 -109439.2785 299.1017 170.0848 194.4234 758470.5777 10.5455 10.4736 PRESSURE: 2678400 -67.1537 -7.83686 55.1021 -7.83765 72.3808 33.0546 55.1022 33.0546 -257.278 GPRESSURE: 2678400 -23.3002 -132.473 2.59679 23.7336 103.249 -9.61698 9.40264 10.4143 -235.32 PRESSAVG: 2678400 1.19093 2.4348 10.7452 2.43479 37.8522 -45.7565 10.7451 -45.7565 -0.32122 GPRESSAVG: 2678400 1.16066 0.862446 9.54263 1.82597 37.5356 -45.2779 11.8401 -46.396 -0.167635 TIMING: 2678400 CPU: 8466.53, 0.00314839/step Wall: 8466.53, 0.00314839/step, 2.03036 hours remaining, 237.332031 MB of memory in use. ENERGY: 2678400 3897.6712 20418.5931 14583.8817 248.6497 -203780.7752 2529.1268 0.0000 0.0000 52025.2927 -110077.5600 298.9901 -162102.8526 -109707.7544 298.8987 -84.0168 -51.7903 758786.0186 12.9073 12.8429 PRESSURE: 2678600 21.8555 -39.8172 -12.7212 -39.8172 -16.6167 -102.474 -12.7207 -102.475 141.318 GPRESSURE: 2678600 1.77493 -97.4232 47.4732 -3.67394 30.3852 -53.4439 -2.63872 -139.824 196.498 PRESSAVG: 2678600 -21.748 -7.44289 2.6793 -7.44279 -10.1556 -14.4698 2.67928 -14.4698 -19.8558 GPRESSAVG: 2678600 -21.8662 -5.53435 5.09576 -6.68659 -9.29659 -12.6142 0.458336 -12.3544 -20.7015 TIMING: 2678600 CPU: 8467.16, 0.00315168/step Wall: 8467.16, 0.00315168/step, 2.03231 hours remaining, 237.332031 MB of memory in use. ENERGY: 2678600 3952.5174 20522.0194 14485.3645 250.4282 -203807.2266 2631.0965 0.0000 0.0000 51817.2014 -110148.5992 297.7942 -161965.8006 -109792.1748 298.2681 48.8524 76.2194 759437.0436 -17.2532 -17.2881 PRESSURE: 2678800 -13.4178 -155.92 163.478 -155.921 -293.458 429.046 163.479 429.046 -107.716 GPRESSURE: 2678800 -8.76538 -212.337 190.489 -176.911 -226.251 405.663 93.078 415.033 -75.8387 PRESSAVG: 2678800 9.65587 -49.7287 8.82315 -49.7287 32.7559 23.0697 8.82316 23.0697 8.5636 GPRESSAVG: 2678800 11.0718 -51.4617 8.73317 -49.7242 30.5063 21.2983 10.2116 19.8178 9.70293 TIMING: 2678800 CPU: 8467.79, 0.00315087/step Wall: 8467.79, 0.00315087/step, 2.03161 hours remaining, 237.332031 MB of memory in use. ENERGY: 2678800 3968.3868 20410.1878 14537.4302 218.4758 -203633.1239 2635.5479 0.0000 0.0000 52002.0141 -109861.0814 298.8563 -161863.0955 -109487.4368 298.6597 -138.1971 -103.6184 761395.3269 16.9918 17.0937 PRESSURE: 2679000 88.0722 -153.165 -109.069 -153.165 -36.7293 -121.776 -109.069 -121.777 -210.395 GPRESSURE: 2679000 151.518 -157.407 -134.995 -130.477 -78.3663 -122.95 60.0791 -126.844 -148.904 PRESSAVG: 2679000 -12.8783 -12.3916 -48.077 -12.3916 20.3831 -13.4286 -48.077 -13.4286 -2.4489 GPRESSAVG: 2679000 -12.8121 -10.9629 -49.0378 -12.3025 20.5027 -13.379 -47.5198 -11.3949 -2.82896 TIMING: 2679000 CPU: 8468.42, 0.00315237/step Wall: 8468.42, 0.00315237/step, 2.0324 hours remaining, 237.332031 MB of memory in use. ENERGY: 2679000 4041.9200 20442.7991 14518.4722 252.4567 -204200.7475 3097.1181 0.0000 0.0000 51909.0116 -109938.9697 298.3218 -161847.9813 -109576.1428 298.9177 -53.0175 -25.2507 758898.0949 1.6853 1.6206 PRESSURE: 2679200 118.892 43.2939 -147.292 43.2937 -97.5266 -333.857 -147.293 -333.856 -215.961 GPRESSURE: 2679200 164.936 148.604 -41.5548 132.534 -84.1774 -341.13 -236.744 -440.02 -211.677 PRESSAVG: 2679200 62.352 -65.089 -32.3571 -65.089 -7.68983 -50.2606 -32.3571 -50.2607 -3.43477 GPRESSAVG: 2679200 62.2537 -66.5798 -32.1708 -65.6378 -7.0124 -49.3213 -32.8722 -52.0585 -3.98211 TIMING: 2679200 CPU: 8469.05, 0.0031634/step Wall: 8469.05, 0.0031634/step, 2.03934 hours remaining, 237.332031 MB of memory in use. ENERGY: 2679200 4015.5294 20596.8125 14529.9642 244.8961 -203520.2507 2371.8678 0.0000 0.0000 52186.3958 -109574.7848 299.9159 -161761.1806 -109210.4709 298.8405 -64.8653 -43.6396 760679.1987 17.0758 17.0864 PRESSURE: 2679400 -89.3999 -49.2425 35.4775 -49.2429 -159.427 -60.1181 35.476 -60.1176 -455.276 GPRESSURE: 2679400 -80.5493 -97.9625 -39.0331 38.1506 -123.905 6.2668 80.3704 83.4695 -420.655 PRESSAVG: 2679400 0.138604 17.3959 -71.6449 17.396 22.4786 -43.7204 -71.645 -43.7204 -7.81016 GPRESSAVG: 2679400 0.532878 18.3685 -72.2491 16.6493 21.868 -44.5442 -70.9658 -44.326 -7.60952 TIMING: 2679400 CPU: 8469.68, 0.00314048/step Wall: 8469.68, 0.00314048/step, 2.02439 hours remaining, 237.332031 MB of memory in use. ENERGY: 2679400 3961.0374 20543.1220 14555.6598 246.0734 -203532.7418 2345.5788 0.0000 0.0000 52065.3312 -109815.9391 299.2202 -161881.2704 -109458.8745 298.8495 -234.7010 -208.3698 761241.2263 4.9357 4.9305 PRESSURE: 2679600 -188.185 -153.14 177.984 -153.14 -131.728 -112.639 177.985 -112.638 -26.2108 GPRESSURE: 2679600 -169.883 -87.4869 179.59 -162.066 -117.433 -115.52 88.02 -74.2887 14.7133 PRESSAVG: 2679600 5.63153 0.60738 -66.8628 0.607387 50.5899 -44.6693 -66.8628 -44.6694 11.8401 GPRESSAVG: 2679600 5.85185 0.27643 -66.58 -0.238245 50.8278 -45.5295 -68.1606 -41.9639 11.48 TIMING: 2679600 CPU: 8470.31, 0.00315342/step Wall: 8470.31, 0.00315342/step, 2.03255 hours remaining, 237.332031 MB of memory in use. ENERGY: 2679600 3917.1977 20486.8024 14544.8574 247.0917 -203425.0751 2560.9767 0.0000 0.0000 52043.6414 -109624.5078 299.0955 -161668.1492 -109262.2963 298.9820 -115.3744 -90.8675 760993.6578 22.6872 22.7199 PRESSURE: 2679800 -219.801 -16.6613 -109.308 -16.6609 -163.26 19.7855 -109.308 19.7849 149.139 GPRESSURE: 2679800 -171.167 -53.3365 -160.602 123.168 -129.979 -44.3545 10.6025 -2.20955 153.187 PRESSAVG: 2679800 20.7126 51.2901 0.570177 51.2901 2.8002 -16.2938 0.570125 -16.2938 1.7386 GPRESSAVG: 2679800 19.4561 50.6743 0.366182 53.1521 3.25766 -15.6836 1.89814 -17.1929 2.50181 TIMING: 2679800 CPU: 8470.94, 0.00314458/step Wall: 8470.94, 0.00314458/step, 2.02668 hours remaining, 237.332031 MB of memory in use. ENERGY: 2679800 4007.9524 20679.5458 14637.3691 261.9525 -203430.1563 2384.4128 0.0000 0.0000 51846.1345 -109612.7891 297.9604 -161458.9236 -109252.7442 299.1430 -77.9742 -49.3198 760477.2450 8.4171 8.4052 PRESSURE: 2680000 -329.628 -226.147 -87.5181 -226.147 -36.9638 82.2514 -87.5188 82.2513 -42.7139 GPRESSURE: 2680000 -236.431 -174.489 -96.2162 -211.357 -46.8611 119.697 -68.7442 77.5269 -46.76 PRESSAVG: 2680000 57.931 -28.3119 -27.7341 -28.3119 -22.0529 -37.1948 -27.7341 -37.1948 -11.1418 GPRESSAVG: 2680000 59.3418 -28.4967 -27.7234 -28.7987 -22.1697 -35.8723 -28.8515 -38.5568 -11.9987 TIMING: 2680000 CPU: 8471.57, 0.00315797/step Wall: 8471.57, 0.00315797/step, 2.03514 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2680000 4007.0471 20426.9276 14557.1732 251.1302 -203579.9140 2713.3781 0.0000 0.0000 52107.4556 -109516.8022 299.4623 -161624.2578 -109144.0369 299.5215 -136.4353 -110.0172 761251.2564 8.2454 8.3911 PRESSURE: 2680200 47.4819 26.4305 82.6966 26.4302 -195.487 -45.2429 82.6969 -45.2424 107.713 GPRESSURE: 2680200 96.2125 -71.0658 140.593 55.2546 -147.994 -53.7314 145.782 177.194 94.2434 PRESSAVG: 2680200 -16.0253 -40.503 -41.2958 -40.5029 -34.5444 30.4689 -41.2958 30.4689 -1.83119 GPRESSAVG: 2680200 -16.3186 -40.1251 -40.5997 -41.1012 -34.9286 29.2535 -40.9871 32.4568 -1.38656 TIMING: 2680200 CPU: 8472.2, 0.00315253/step Wall: 8472.2, 0.00315253/step, 2.03145 hours remaining, 237.332031 MB of memory in use. ENERGY: 2680200 3969.4583 20638.8650 14541.3814 247.7438 -203415.6345 2319.9503 0.0000 0.0000 52155.1894 -109543.0464 299.7366 -161698.2358 -109182.1566 299.3231 -13.4307 14.1539 760144.0550 -17.4670 -17.5446 LDB: ============= START OF LOAD BALANCING ============== 8484.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8484.6 LDB: =============== DONE WITH MIGRATION ================ 8484.6 LDB: ============= START OF LOAD BALANCING ============== 8484.92 LDB: Largest compute 7058 load 0.033946 is 17.3% of average load 0.195959 LDB: Average compute 0.004362 is 2.2% of average load 0.195959 LDB: TIME 8484.92 LOAD: AVG 0.195959 MAX 0.219002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 8484.92 LOAD: AVG 0.195959 MAX 0.219002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: TIME 8484.93 LOAD: AVG 0.195959 MAX 0.219002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8484.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8484.93 PRESSURE: 2680400 242.88 205.603 -131.74 205.603 26.891 2.65896 -131.739 2.65885 133.668 GPRESSURE: 2680400 243.932 165.959 -196.309 310.384 18.0168 -22.7949 -167.626 -70.5643 204.367 PRESSAVG: 2680400 -4.22002 -24.8125 13.6363 -24.8125 31.8472 11.6188 13.6363 11.6189 7.33115 GPRESSAVG: 2680400 -4.16116 -24.6271 13.0841 -21.8222 30.5957 9.47095 12.7027 11.1888 7.99692 TIMING: 2680400 CPU: 8472.85, 0.00323008/step Wall: 8472.85, 0.00323008/step, 2.08125 hours remaining, 237.843750 MB of memory in use. ENERGY: 2680400 4013.1237 20703.2003 14511.1604 240.6876 -203702.0967 2631.2836 0.0000 0.0000 52086.5838 -109516.0572 299.3423 -161602.6410 -109159.3496 299.3873 134.4796 155.4388 760131.8193 11.6528 11.4771 PRESSURE: 2680600 -115.496 236.664 -123.351 236.665 46.5172 157.345 -123.35 157.345 -18.1457 GPRESSURE: 2680600 -108.745 222.106 -203.114 -0.265756 -0.658702 75.2143 -151.737 186.999 106.862 PRESSAVG: 2680600 25.592 3.3054 -3.50474 3.30534 -18.3748 -57.1358 -3.5047 -57.1359 -7.83001 GPRESSAVG: 2680600 26.2279 4.33804 -4.26188 -0.15066 -18.8252 -54.3366 -3.06438 -56.6406 -8.10569 TIMING: 2680600 CPU: 8473.48, 0.00315615/step Wall: 8473.48, 0.00315615/step, 2.03344 hours remaining, 237.843750 MB of memory in use. ENERGY: 2680600 4013.9719 20482.2901 14532.1853 266.8227 -203269.2122 2384.2973 0.0000 0.0000 51819.7561 -109769.8887 297.8089 -161589.6449 -109400.2716 299.1524 -29.0416 -0.8470 760171.3771 -0.2043 -0.2343 PRESSURE: 2680800 -158.158 -193.477 -97.214 -193.477 117.656 48.445 -97.2137 48.4446 72.1988 GPRESSURE: 2680800 -145.117 -254.142 -49.3662 -143.628 161.852 26.5689 -53.2847 148.974 104.615 PRESSAVG: 2680800 -32.6471 0.455019 36.5977 0.455014 37.7568 12.6849 36.5977 12.6849 8.73052 GPRESSAVG: 2680800 -32.7416 -1.82316 36.8171 -0.0892063 37.7353 12.7631 35.4987 11.3263 8.72387 TIMING: 2680800 CPU: 8474.11, 0.00314464/step Wall: 8474.11, 0.00314464/step, 2.02585 hours remaining, 237.843750 MB of memory in use. ENERGY: 2680800 4076.5118 20614.0819 14520.4435 246.3194 -203895.8427 2920.4138 0.0000 0.0000 51813.5655 -109704.5068 297.7733 -161518.0723 -109342.9752 298.6057 10.5654 40.4498 759580.5989 4.6134 4.5725 PRESSURE: 2681000 268.817 36.9199 0.00376696 36.9192 -52.0716 -18.242 0.00267671 -18.2406 -9.71101 GPRESSURE: 2681000 311.112 146.446 41.75 107.533 -28.9105 -70.6295 57.6398 -75.0256 15.7325 PRESSAVG: 2681000 50.2521 -40.5617 -43.6488 -40.5617 -44.9802 39.4489 -43.6488 39.4489 -8.23945 GPRESSAVG: 2681000 50.0022 -38.4055 -43.0127 -39.9677 -43.8084 40.1579 -41.6067 38.8842 -8.87966 TIMING: 2681000 CPU: 8474.74, 0.00314883/step Wall: 8474.74, 0.00314883/step, 2.02837 hours remaining, 237.843750 MB of memory in use. ENERGY: 2681000 3991.6988 20561.2839 14498.3144 260.1964 -203507.5758 2527.7621 0.0000 0.0000 52062.9005 -109605.4198 299.2062 -161668.3203 -109241.6153 298.7847 69.0115 99.3112 760390.8570 -0.9892 -0.8953 PRESSURE: 2681200 354.886 -78.6824 -136.371 -78.6829 180.167 118.007 -136.371 118.007 483.845 GPRESSURE: 2681200 449.489 -148.54 -206.265 -52.0343 303.056 140.796 -190.369 66.1404 346.876 PRESSAVG: 2681200 0.516929 -44.4196 -50.0093 -44.4196 -10.5605 20.3571 -50.0093 20.3571 12.9221 GPRESSAVG: 2681200 0.966289 -45.5427 -51.0673 -42.0262 -11.2745 18.5164 -50.1558 21.5158 12.9926 TIMING: 2681200 CPU: 8475.37, 0.00314847/step Wall: 8475.37, 0.00314847/step, 2.02796 hours remaining, 237.843750 MB of memory in use. ENERGY: 2681200 4003.6209 20612.5543 14453.6130 238.6231 -203845.0830 2694.3114 0.0000 0.0000 52151.3248 -109691.0355 299.7144 -161842.3603 -109319.9487 299.2281 339.6329 366.4736 757587.9829 0.9595 0.8948 PRESSURE: 2681400 32.6136 -26.5289 -66.6044 -26.5286 -351.328 -42.4799 -66.6039 -42.4796 -567.956 GPRESSURE: 2681400 -4.16295 -16.5495 8.97764 -27.9981 -244.894 -55.0371 -99.6015 -4.68836 -544.872 PRESSAVG: 2681400 50.9405 31.0855 -43.8795 31.0856 -59.091 5.09526 -43.8795 5.09526 13.2118 GPRESSAVG: 2681400 49.9792 31.0328 -43.5643 29.2375 -58.47 4.68311 -43.6361 4.12889 13.5611 TIMING: 2681400 CPU: 8476, 0.00314206/step Wall: 8476, 0.00314206/step, 2.02366 hours remaining, 237.843750 MB of memory in use. ENERGY: 2681400 4020.4953 20558.4054 14475.4316 252.0845 -202892.1511 1998.8851 0.0000 0.0000 52009.0320 -109577.8171 298.8966 -161586.8492 -109217.4804 299.4070 -295.5569 -264.6431 760311.3353 1.6871 1.6901 PRESSURE: 2681600 -160.191 9.37303 59.7133 9.37414 273.577 140.91 59.7132 140.91 -218.632 GPRESSURE: 2681600 -169.203 -27.2863 -5.18458 23.4646 292.769 221.929 39.4764 77.5431 -153.599 PRESSAVG: 2681600 -37.7559 24.5713 17.204 24.5713 22.698 51.312 17.204 51.3121 2.46624 GPRESSAVG: 2681600 -38.1844 24.0823 16.7528 24.8295 22.9285 52.6221 15.9708 51.7668 2.97546 TIMING: 2681600 CPU: 8476.63, 0.00314864/step Wall: 8476.63, 0.00314864/step, 2.02772 hours remaining, 237.843750 MB of memory in use. ENERGY: 2681600 3917.0425 20615.6679 14507.6523 252.2234 -203299.5845 2355.5413 0.0000 0.0000 52078.2105 -109573.2466 299.2942 -161651.4571 -109213.3124 299.1654 -35.0821 -10.0112 760170.8906 -4.1972 -4.0935 PRESSURE: 2681800 -174.547 50.224 -191.983 50.2238 -266.089 -121.199 -191.983 -121.199 -30.0163 GPRESSURE: 2681800 -196.566 113.607 -200.986 -9.23144 -151.699 -54.2595 -61.5737 -200.733 -39.5015 PRESSAVG: 2681800 -24.3245 -25.5454 43.7519 -25.5454 16.3753 -1.12892 43.752 -1.12889 -7.55443 GPRESSAVG: 2681800 -23.332 -24.3216 43.4116 -25.0015 17.0915 -2.01469 46.2517 -0.83613 -9.45065 TIMING: 2681800 CPU: 8477.26, 0.0031553/step Wall: 8477.26, 0.0031553/step, 2.03184 hours remaining, 237.843750 MB of memory in use. ENERGY: 2681800 3945.9822 20393.2482 14526.6999 254.5820 -203161.7387 2505.1626 0.0000 0.0000 52074.7115 -109461.3522 299.2741 -161536.0637 -109100.5395 298.7308 -156.8842 -129.2553 761243.0852 -5.1679 -5.2304 PRESSURE: 2682000 -49.2331 -63.059 167.249 -63.059 241.431 -401.615 167.249 -401.616 -153.286 GPRESSURE: 2682000 -157.98 -54.8878 162.447 9.26566 381.042 -336.744 113.734 -230.891 -94.3047 PRESSAVG: 2682000 -24.0835 -73.1562 -10.9852 -73.1561 37.137 -4.08853 -10.9852 -4.08849 -2.75474 GPRESSAVG: 2682000 -24.7986 -75.1629 -10.5379 -72.8088 35.388 -3.93528 -13.5991 -2.79501 -0.591435 TIMING: 2682000 CPU: 8477.89, 0.00314514/step Wall: 8477.89, 0.00314514/step, 2.02512 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2682000 3956.0150 20515.4098 14476.1049 246.6191 -203383.7777 2807.3148 0.0000 0.0000 51887.5712 -109494.7429 298.1986 -161382.3141 -109132.5223 299.2532 12.9705 42.9192 761454.1614 3.4329 3.3327 PRESSURE: 2682200 -581.265 -92.3556 91.8881 -92.3557 -56.3402 229.438 91.8874 229.437 -73.5501 GPRESSURE: 2682200 -591.188 -11.6158 59.4016 -111.038 56.3625 222.818 201.257 254.126 -94.7507 PRESSAVG: 2682200 -53.7709 -17.4577 -14.6854 -17.4577 73.3419 7.41888 -14.6854 7.41892 -13.8216 GPRESSAVG: 2682200 -53.3155 -16.3666 -14.1772 -17.8583 74.3097 7.89103 -14.0593 8.00813 -15.0436 TIMING: 2682200 CPU: 8478.52, 0.00315093/step Wall: 8478.52, 0.00315093/step, 2.02868 hours remaining, 237.843750 MB of memory in use. ENERGY: 2682200 4016.0023 20666.7667 14496.8442 239.9036 -203247.6227 2536.4010 0.0000 0.0000 51982.3198 -109309.3852 298.7431 -161291.7050 -108958.3776 299.2271 -237.0518 -209.8588 761971.4021 1.9164 1.9835 PRESSURE: 2682400 10.2465 -211.751 -41.9735 -211.75 -104.194 130.361 -41.9736 130.361 -60.1064 GPRESSURE: 2682400 18.2701 -171.66 62.0529 -334.027 -127.777 61.1804 -86.4053 82.6446 26.9822 PRESSAVG: 2682400 -54.2635 -67.213 -36.7576 -67.213 12.3794 17.8694 -36.7576 17.8694 24.6944 GPRESSAVG: 2682400 -54.0437 -68.2948 -37.9648 -66.9759 10.9951 18.0672 -36.8589 14.4017 26.2059 TIMING: 2682400 CPU: 8479.15, 0.00316138/step Wall: 8479.15, 0.00316138/step, 2.03522 hours remaining, 237.843750 MB of memory in use. ENERGY: 2682400 3965.3322 20736.7251 14509.1133 221.7518 -202824.6524 2299.4055 0.0000 0.0000 51875.7577 -109216.5667 298.1307 -161092.3244 -108853.4504 299.6308 -51.3514 -27.5084 761037.6484 -5.7299 -5.6142 PRESSURE: 2682600 15.2917 -65.1689 -95.6152 -65.1682 -235.396 -222.278 -95.615 -222.278 -72.6112 GPRESSURE: 2682600 31.8207 -75.1171 -134.231 -74.5999 -97.5787 -211.618 -21.6881 -186.69 -150.292 PRESSAVG: 2682600 -14.0525 -35.636 -21.3425 -35.636 4.49311 19.2845 -21.3426 19.2845 -22.1835 GPRESSAVG: 2682600 -14.7249 -35.132 -21.4745 -34.663 5.13986 17.6725 -21.6478 21.1039 -22.142 TIMING: 2682600 CPU: 8479.78, 0.00316599/step Wall: 8479.78, 0.00316599/step, 2.03802 hours remaining, 237.843750 MB of memory in use. ENERGY: 2682600 4080.7568 20460.6743 14420.9387 235.6427 -203111.7039 2449.4759 0.0000 0.0000 52198.7924 -109265.4230 299.9872 -161464.2155 -108900.8325 299.9878 -97.5719 -72.0166 763112.7453 -10.5810 -10.5757 PRESSURE: 2682800 47.5956 -278.8 -157.427 -278.8 88.6081 -176.9 -157.428 -176.9 -59.5924 GPRESSURE: 2682800 64.2279 -175.912 -176.085 -227.723 185.473 -137.146 -154.229 -206.313 -78.8859 PRESSAVG: 2682800 -6.19298 -90.4158 45.809 -90.4158 -21.1214 29.3022 45.809 29.302 -6.11378 GPRESSAVG: 2682800 -6.27724 -89.9488 46.6645 -91.6245 -19.7501 30.5646 46.3121 29.415 -7.27313 TIMING: 2682800 CPU: 8480.41, 0.00316007/step Wall: 8480.41, 0.00316007/step, 2.03403 hours remaining, 237.843750 MB of memory in use. ENERGY: 2682800 3997.0970 20424.1155 14454.7750 265.9521 -203198.9222 2523.1562 0.0000 0.0000 52134.0130 -109399.8134 299.6149 -161533.8264 -109037.4354 299.2135 25.5371 56.9384 760788.3586 -11.1427 -11.1002 PRESSURE: 2683000 -163.222 -105.755 182.618 -105.754 365.38 -289.721 182.617 -289.721 192.121 GPRESSURE: 2683000 -59.4305 -107.674 240.347 -45.1723 362.216 -198.47 100.14 -222.04 188.385 PRESSAVG: 2683000 -26.9925 -142.835 -13.197 -142.835 11.8914 -7.43037 -13.197 -7.43038 -13.7755 GPRESSAVG: 2683000 -26.8199 -141.835 -12.4945 -143.9 10.9434 -6.33701 -12.7465 -5.44899 -13.0093 TIMING: 2683000 CPU: 8481.05, 0.0031734/step Wall: 8481.05, 0.0031734/step, 2.04244 hours remaining, 237.843750 MB of memory in use. ENERGY: 2683000 4031.1079 20527.4309 14448.6152 248.7859 -203363.0957 2548.8762 0.0000 0.0000 52123.2834 -109434.9963 299.5532 -161558.2798 -109070.5821 299.4367 131.4263 163.7233 761924.9532 -9.6255 -9.6286 PRESSURE: 2683200 42.7281 -42.3929 -68.6518 -42.3927 -161.282 107.607 -68.6511 107.607 343.526 GPRESSURE: 2683200 92.4059 -70.5944 -126.729 41.9225 -135.475 15.6682 -125.397 35.026 345.009 PRESSAVG: 2683200 23.6267 -62.5026 18.7445 -62.5026 -17.6424 -11.6698 18.7445 -11.6698 -16.0781 GPRESSAVG: 2683200 23.6643 -64.713 18.9448 -59.5833 -17.0022 -10.8751 17.3142 -15.6809 -16.3638 TIMING: 2683200 CPU: 8481.68, 0.00316778/step Wall: 8481.68, 0.00316778/step, 2.03864 hours remaining, 237.843750 MB of memory in use. ENERGY: 2683200 3986.8539 20487.2937 14404.9099 263.1237 -203394.1398 2549.6929 0.0000 0.0000 52293.8182 -109408.4475 300.5333 -161702.2657 -109027.2474 299.3879 74.9908 100.6467 760490.0354 -3.3646 -3.2339 PRESSURE: 2683400 189.1 -12.0896 -24.5994 -12.089 288.852 244.245 -24.5994 244.246 161.166 GPRESSURE: 2683400 251.854 -13.3369 -86.0107 13.2797 261.124 307.75 -62.8729 60.8969 193.217 PRESSAVG: 2683400 0.564544 -41.5603 -25.6601 -41.5603 -18.4281 6.86952 -25.6601 6.86948 -7.83719 GPRESSAVG: 2683400 -0.1236 -38.7781 -26.3343 -42.0628 -16.9304 6.47064 -23.9202 8.02458 -8.7096 TIMING: 2683400 CPU: 8482.32, 0.00316492/step Wall: 8482.32, 0.00316492/step, 2.03662 hours remaining, 237.843750 MB of memory in use. ENERGY: 2683400 3981.2296 20714.3890 14480.7721 258.4207 -203454.2174 2729.8236 0.0000 0.0000 52000.5780 -109289.0043 298.8480 -161289.5823 -108935.8949 299.4992 213.0393 235.3983 760508.1188 -8.5669 -8.5879 PRESSURE: 2683600 -98.9573 147.526 211.903 147.526 8.31272 17.6394 211.903 17.6393 9.48129 GPRESSURE: 2683600 -55.9311 111.553 207.109 136.688 60.2987 83.2324 215.376 -64.2656 -0.431408 PRESSAVG: 2683600 9.37494 2.05084 -3.2704 2.05083 17.1821 -23.1458 -3.27049 -23.1458 -3.45573 GPRESSAVG: 2683600 12.5365 0.185942 -3.0978 -0.734013 15.6728 -21.9388 -3.01657 -25.3626 -4.20915 TIMING: 2683600 CPU: 8482.94, 0.00314274/step Wall: 8482.94, 0.00314274/step, 2.02218 hours remaining, 237.843750 MB of memory in use. ENERGY: 2683600 4014.5939 20623.8199 14474.2321 259.3917 -203630.9516 2750.5935 0.0000 0.0000 52209.7037 -109298.6169 300.0499 -161508.3206 -108944.7968 299.7696 -27.0544 1.3121 760639.9355 7.7004 8.0001 PRESSURE: 2683800 -31.8304 4.78898 143.309 4.78899 223.204 -128.052 143.31 -128.053 250.593 GPRESSURE: 2683800 -68.3088 -8.71045 151.28 -95.9055 293.463 -68.5562 185.69 -40.1224 315.926 PRESSAVG: 2683800 16.8992 -23.0443 57.1749 -23.0442 -20.9395 -32.5941 57.1749 -32.5941 15.6957 GPRESSAVG: 2683800 14.8663 -20.964 58.0677 -21.2392 -19.5748 -34.069 55.1725 -29.9059 16.8474 TIMING: 2683800 CPU: 8483.57, 0.0031511/step Wall: 8483.57, 0.0031511/step, 2.02738 hours remaining, 237.843750 MB of memory in use. ENERGY: 2683800 4009.5731 20523.6493 14467.0133 262.6635 -203899.8045 3083.1671 0.0000 0.0000 52108.5777 -109445.1605 299.4687 -161553.7382 -109083.7620 300.4186 147.3222 180.3599 760246.8596 3.8851 4.0463 PRESSURE: 2684000 -122.406 -179.183 147.318 -179.184 -188.881 135.34 147.317 135.34 215.01 GPRESSURE: 2684000 -91.5299 -161.437 125.575 -157.224 -140.813 101.848 48.2997 129.866 212.933 PRESSAVG: 2684000 -15.345 -48.0133 42.5457 -48.0133 -81.1778 9.12742 42.5457 9.12739 -24.8721 GPRESSAVG: 2684000 -14.5255 -50.1126 41.3827 -48.6755 -81.8577 9.37018 44.4523 8.78891 -25.2132 TIMING: 2684000 CPU: 8484.21, 0.00316686/step Wall: 8484.21, 0.00316686/step, 2.03735 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2684000 4036.9290 20627.7270 14460.8840 262.8249 -203162.4151 2438.5882 0.0000 0.0000 52029.6098 -109305.8521 299.0149 -161335.4619 -108943.9352 299.5955 -32.0925 -6.4698 763043.3587 -40.4650 -40.5322 PRESSURE: 2684200 -89.6657 -48.3209 100.147 -48.3201 -70.8021 -152.566 100.148 -152.565 -113.124 GPRESSURE: 2684200 -143.86 -53.2828 81.0172 -52.2355 -41.1612 -182.545 29.6809 -96.806 -22.3249 PRESSAVG: 2684200 2.85527 -50.3701 89.4127 -50.37 35.9377 -21.454 89.4127 -21.454 11.0519 GPRESSAVG: 2684200 1.98817 -50.3714 90.9774 -49.7852 35.7108 -22.1411 88.5104 -21.4844 11.6003 TIMING: 2684200 CPU: 8484.84, 0.00317486/step Wall: 8484.84, 0.00317486/step, 2.04232 hours remaining, 237.843750 MB of memory in use. ENERGY: 2684200 3927.7551 20493.8957 14474.4397 260.9542 -202913.1835 2241.7844 0.0000 0.0000 52181.6991 -109332.6554 299.8889 -161514.3545 -108970.2931 300.2737 -91.1971 -69.1154 761420.2568 16.6150 16.4331 LDB: ============= START OF LOAD BALANCING ============== 8497.24 LDB: ============== END OF LOAD BALANCING =============== 8497.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8497.24 LDB: ============= START OF LOAD BALANCING ============== 8497.56 LDB: Largest compute 7075 load 0.033368 is 17.0% of average load 0.196048 LDB: Average compute 0.004374 is 2.2% of average load 0.196048 LDB: TIME 8497.56 LOAD: AVG 0.196048 MAX 0.21758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 8497.56 LOAD: AVG 0.196048 MAX 0.21758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 8497.56 LOAD: AVG 0.196048 MAX 0.21758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 8497.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8497.57 PRESSURE: 2684400 24.5711 -109.122 75.0999 -109.122 -120.709 129.658 75.0999 129.659 -176.341 GPRESSURE: 2684400 39.1611 -122.554 37.3933 -1.89472 -98.2803 13.3162 161.309 55.6464 -106.746 PRESSAVG: 2684400 21.5975 -42.3693 5.65504 -42.3693 -26.481 -26.2929 5.65502 -26.293 6.584 GPRESSAVG: 2684400 21.1684 -43.4284 3.01918 -42.4409 -26.2821 -27.6712 7.4018 -24.8095 6.94881 TIMING: 2684400 CPU: 8485.49, 0.0032229/step Wall: 8485.49, 0.0032229/step, 2.07304 hours remaining, 238.355469 MB of memory in use. ENERGY: 2684400 4012.6284 20641.4985 14519.3916 246.8879 -203080.8962 2473.6945 0.0000 0.0000 51925.2670 -109261.5282 298.4152 -161186.7952 -108905.9430 300.2735 -90.8265 -55.2884 760004.4280 0.5668 0.6117 PRESSURE: 2684600 174.201 -127.751 41.1808 -127.751 -8.64025 100.424 41.1811 100.423 324.666 GPRESSURE: 2684600 159.814 -117.509 120.764 -221.249 16.9653 118.901 -24.6999 61.8726 417.638 PRESSAVG: 2684600 31.012 -44.8191 111.918 -44.8192 -33.7865 -29.0258 111.918 -29.0257 -16.7108 GPRESSAVG: 2684600 30.9079 -44.5865 114.68 -44.5831 -33.2297 -25.7283 109.845 -31.8344 -17.0502 TIMING: 2684600 CPU: 8486.12, 0.0031657/step Wall: 8486.12, 0.0031657/step, 2.03607 hours remaining, 238.558594 MB of memory in use. ENERGY: 2684600 3908.5128 20582.0918 14415.0531 267.9053 -203353.8027 2612.6019 0.0000 0.0000 52314.6014 -109253.0363 300.6527 -161567.6377 -108884.4537 299.9596 163.4091 198.1390 759238.2117 -6.4951 -6.4573 PRESSURE: 2684800 347.118 -48.2249 -23.5415 -48.2251 279.302 -91.213 -23.5407 -91.2135 295.255 GPRESSURE: 2684800 509.613 -161.809 -53.6663 7.05507 292.436 -78.6737 -177.509 49.2309 197.783 PRESSAVG: 2684800 -55.4596 -2.11564 41.346 -2.1156 -1.40686 20.2951 41.3461 20.2951 2.36447 GPRESSAVG: 2684800 -55.1036 -0.88864 40.2429 -0.691393 -1.36112 19.0177 40.7461 22.0195 2.06967 TIMING: 2684800 CPU: 8486.75, 0.00316937/step Wall: 8486.75, 0.00316937/step, 2.03826 hours remaining, 238.558594 MB of memory in use. ENERGY: 2684800 4051.7265 20565.6450 14418.0207 255.2714 -203482.0622 2886.8844 0.0000 0.0000 51917.4715 -109387.0426 298.3704 -161304.5141 -109032.1366 299.4348 307.2250 333.2775 762153.4088 -18.1673 -18.1317 PRESSURE: 2685000 248.828 -86.2082 28.7699 -86.209 -180.82 -317.873 28.7697 -317.873 53.2373 GPRESSURE: 2685000 259.006 -136.611 -39.1747 -23.9445 -77.1975 -321.853 210.943 -279.824 28.809 PRESSAVG: 2685000 -2.67065 -12.4761 -8.02265 -12.4761 21.4919 18.5571 -8.02259 18.5571 18.791 GPRESSAVG: 2685000 -2.43213 -11.1494 -6.94943 -13.626 21.372 18.7003 -7.76169 17.4918 18.3381 TIMING: 2685000 CPU: 8487.39, 0.00316261/step Wall: 8487.39, 0.00316261/step, 2.03373 hours remaining, 238.558594 MB of memory in use. ENERGY: 2685000 4003.6280 20468.9654 14572.4128 242.6063 -203875.5545 2789.2340 0.0000 0.0000 52085.4730 -109713.2350 299.3359 -161798.7080 -109350.1885 299.2106 40.4152 70.2058 759616.3334 12.5374 12.4260 PRESSURE: 2685200 52.9051 40.4432 -275.526 40.4439 -96.2343 72.1457 -275.527 72.1453 381.884 GPRESSURE: 2685200 151.256 35.591 -305.934 -65.9492 -16.1359 55.4851 -148.842 33.6877 286.339 PRESSAVG: 2685200 -7.94825 -47.4675 38.4006 -47.4676 -39.694 25.7032 38.4006 25.7033 -16.9555 GPRESSAVG: 2685200 -9.59248 -49.8052 38.2695 -48.0641 -39.3392 25.4936 38.6002 24.8528 -16.241 TIMING: 2685200 CPU: 8488.02, 0.0031529/step Wall: 8488.02, 0.0031529/step, 2.02732 hours remaining, 238.558594 MB of memory in use. ENERGY: 2685200 3973.0170 20590.4359 14520.5202 254.3049 -203771.3025 2484.6889 0.0000 0.0000 52177.6690 -109770.6667 299.8658 -161948.3357 -109412.7887 299.0124 112.8517 140.4862 759829.3646 -21.5326 -21.7242 PRESSURE: 2685400 300.733 4.3768 -21.4203 4.37668 286.853 -77.6806 -21.4197 -77.6809 223.204 GPRESSURE: 2685400 279.511 55.5362 6.51143 -53.7257 423.524 -60.8386 -47.9214 -77.4021 197.69 PRESSAVG: 2685400 -43.0674 -26.6386 21.1345 -26.6386 74.6791 -4.12559 21.1345 -4.12555 -11.6131 GPRESSAVG: 2685400 -41.7027 -25.8745 20.2174 -26.5962 74.828 -5.85073 20.9758 -3.03019 -13.4872 TIMING: 2685400 CPU: 8488.64, 0.00313296/step Wall: 8488.64, 0.00313296/step, 2.01432 hours remaining, 238.558594 MB of memory in use. ENERGY: 2685400 3998.7624 20640.0361 14569.8316 249.0023 -204287.6713 3148.5499 0.0000 0.0000 52181.7307 -109499.7582 299.8891 -161681.4890 -109137.0891 299.7731 270.2633 300.2418 758297.9943 6.6662 6.5460 PRESSURE: 2685600 6.71742 -62.6433 -240.833 -62.6441 330.774 194.044 -240.832 194.043 78.9187 GPRESSURE: 2685600 73.7328 -13.333 -336.838 -21.8006 323.776 175.277 -87.9755 134.202 120.238 PRESSAVG: 2685600 38.9758 -64.9024 45.8398 -64.9024 -17.305 -25.9392 45.8398 -25.9392 13.5398 GPRESSAVG: 2685600 38.8922 -64.984 44.549 -63.9053 -17.9302 -25.1683 45.1749 -25.6945 14.081 TIMING: 2685600 CPU: 8489.27, 0.00314911/step Wall: 8489.27, 0.00314911/step, 2.02453 hours remaining, 238.558594 MB of memory in use. ENERGY: 2685600 4009.7815 20576.7194 14557.1394 244.1717 -203394.3267 2518.0198 0.0000 0.0000 52006.8139 -109481.6811 298.8839 -161488.4949 -109122.4873 299.3553 138.8034 172.5824 759636.8242 11.7369 11.6810 PRESSURE: 2685800 -345.898 18.9195 216.035 18.9199 -169.159 225.007 216.034 225.008 -84.4637 GPRESSURE: 2685800 -259.171 40.9064 185.92 11.7222 -207.981 211.987 108.223 188.037 -58.0544 PRESSAVG: 2685800 13.7509 -42.0516 9.23364 -42.0517 -30.3876 -7.65935 9.23367 -7.65935 -9.26426 GPRESSAVG: 2685800 14.2015 -45.4819 11.0528 -40.6456 -31.5035 -7.54979 11.0098 -7.41863 -8.98077 TIMING: 2685800 CPU: 8489.91, 0.00315433/step Wall: 8489.91, 0.00315433/step, 2.02771 hours remaining, 238.558594 MB of memory in use. ENERGY: 2685800 4031.6953 20583.0336 14573.8219 234.1265 -203494.1817 2694.8124 0.0000 0.0000 51892.2266 -109484.4654 298.2253 -161376.6920 -109119.8030 299.1970 -199.8400 -175.0689 762184.9446 -8.6336 -8.7609 PRESSURE: 2686000 97.6165 -19.2192 -11.8242 -19.2195 -165.676 -40.0388 -11.8236 -40.04 -295.641 GPRESSURE: 2686000 13.4723 -7.53818 37.0513 -77.9346 -111.869 -22.523 -170.272 -35.9661 -196.164 PRESSAVG: 2686000 0.0578436 -67.0612 17.6628 -67.0612 44.0773 -4.72492 17.6628 -4.72486 41.915 GPRESSAVG: 2686000 -0.955964 -62.9611 17.6551 -69.447 44.1668 -5.04864 14.1966 -5.63899 42.5064 TIMING: 2686000 CPU: 8490.53, 0.00314694/step Wall: 8490.53, 0.00314694/step, 2.02278 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2686000 4079.2079 20661.7414 14476.3604 248.6087 -203370.1198 2388.6401 0.0000 0.0000 52153.4794 -109362.0820 299.7268 -161515.5613 -108997.3003 300.0224 -121.2337 -98.1871 761846.7203 28.6834 28.5724 PRESSURE: 2686200 -95.207 -197.299 -295.957 -197.298 -97.1448 -16.6784 -295.958 -16.6776 55.9987 GPRESSURE: 2686200 -76.7856 -217.095 -245.341 -288.626 20.314 -72.3806 -186.485 77.7997 9.98749 PRESSAVG: 2686200 12.3681 -45.0235 -28.9849 -45.0236 -17.3852 34.7088 -28.985 34.7088 -16.7201 GPRESSAVG: 2686200 13.1441 -47.0328 -29.6309 -40.7085 -17.6397 34.927 -25.6864 35.9161 -17.1089 TIMING: 2686200 CPU: 8491.16, 0.00314937/step Wall: 8491.16, 0.00314938/step, 2.02417 hours remaining, 238.558594 MB of memory in use. ENERGY: 2686200 4020.6754 20586.2607 14447.7197 254.5802 -203122.0732 2346.8656 0.0000 0.0000 52083.3411 -109382.6305 299.3237 -161465.9716 -109009.6083 299.6942 -45.4510 -15.4947 761215.8097 -7.2457 -7.2015 PRESSURE: 2686400 -6.33637 -228.149 71.2234 -228.149 -366.632 -280.132 71.2228 -280.131 -240.953 GPRESSURE: 2686400 35.2354 -95.2593 33.1523 -118.135 -368.445 -320.47 -17.0426 -238.849 -187.596 PRESSAVG: 2686400 -36.1947 -62.8572 -41.9032 -62.8572 -3.48438 32.3176 -41.9032 32.3176 -12.6753 GPRESSAVG: 2686400 -37.3829 -59.2462 -42.2488 -65.2982 -2.8728 30.9714 -44.9839 32.4431 -12.4849 TIMING: 2686400 CPU: 8491.79, 0.00314943/step Wall: 8491.79, 0.00314943/step, 2.02403 hours remaining, 238.558594 MB of memory in use. ENERGY: 2686400 4012.6971 20581.0116 14452.8802 269.0428 -203100.3206 2348.4643 0.0000 0.0000 52078.3535 -109357.8711 299.2950 -161436.2246 -108999.2469 300.1989 -204.6404 -173.6018 760606.1950 -17.4515 -17.5802 PRESSURE: 2686600 150.868 -199.712 -117.3 -199.713 360.361 208.543 -117.301 208.544 -395.691 GPRESSURE: 2686600 226.241 -238.052 -56.4623 -178.673 336.578 190.718 -77.0369 185.172 -380.783 PRESSAVG: 2686600 14.038 -41.2825 -36.276 -41.2825 -21.7467 27.2348 -36.276 27.2348 7.90601 GPRESSAVG: 2686600 14.3666 -43.1101 -35.7843 -41.6505 -20.4841 28.0826 -36.7768 26.4267 6.57719 TIMING: 2686600 CPU: 8492.43, 0.00315924/step Wall: 8492.43, 0.00315924/step, 2.03016 hours remaining, 238.558594 MB of memory in use. ENERGY: 2686600 3996.4866 20767.3924 14478.7325 230.2847 -203630.6582 2706.2809 0.0000 0.0000 52092.4151 -109359.0660 299.3758 -161451.4811 -108995.2873 299.7093 38.5126 60.6786 760434.7987 0.0658 0.1532 PRESSURE: 2686800 -120.84 18.7453 -423.145 18.7449 -382.462 378.968 -423.146 378.968 -40.8251 GPRESSURE: 2686800 -78.4543 -81.3926 -409.421 6.69468 -382.452 331.322 -382.699 255.609 -4.15719 PRESSAVG: 2686800 25.735 -21.6232 -45.8445 -21.6232 12.2036 23.8158 -45.8445 23.8158 12.8048 GPRESSAVG: 2686800 25.4831 -22.0637 -45.1003 -21.0269 10.6115 23.0334 -42.2847 26.115 13.994 TIMING: 2686800 CPU: 8493.06, 0.00315193/step Wall: 8493.06, 0.00315193/step, 2.02529 hours remaining, 238.558594 MB of memory in use. ENERGY: 2686800 4064.7420 20580.4143 14482.2179 220.9443 -203535.6093 2706.0591 0.0000 0.0000 52296.6619 -109184.5699 300.5496 -161481.2318 -108815.1085 299.8322 -181.3755 -155.0211 761370.0030 16.9145 16.6962 PRESSURE: 2687000 -143.92 8.59292 -62.9635 8.59294 -2.82652 -0.00202944 -62.9638 -0.00200479 234.57 GPRESSURE: 2687000 -10.5243 -75.3474 -35.6577 -81.8456 34.3823 16.7532 9.04015 12.9754 157.926 PRESSAVG: 2687000 15.6498 -12.5736 -0.355923 -12.5736 -17.6014 -21.8765 -0.35592 -21.8765 -6.63992 GPRESSAVG: 2687000 14.9436 -12.3366 -0.878338 -12.9831 -16.329 -19.3536 -1.34547 -24.6884 -7.07149 TIMING: 2687000 CPU: 8493.69, 0.00316083/step Wall: 8493.69, 0.00316083/step, 2.03083 hours remaining, 238.558594 MB of memory in use. ENERGY: 2687000 3914.9874 20611.6383 14508.0049 251.0963 -203407.7538 2509.6441 0.0000 0.0000 52314.2166 -109298.1662 300.6505 -161612.3827 -108938.7049 300.7108 29.2745 60.5947 760475.0719 -2.8638 -2.8190 PRESSURE: 2687200 173.209 149.831 -54.6938 149.832 -238.005 -21.2831 -54.6946 -21.282 -166.085 GPRESSURE: 2687200 147.749 100.665 34.3077 146.942 -162.552 -46.0181 -64.8392 -84.3337 -138.297 PRESSAVG: 2687200 71.0205 -46.5634 13.5805 -46.5635 -16.5136 -11.9595 13.5805 -11.9594 -19.0592 GPRESSAVG: 2687200 72.796 -46.7131 13.9929 -46.1656 -17.9771 -11.9752 13.9354 -11.7673 -19.2798 TIMING: 2687200 CPU: 8494.32, 0.00316609/step Wall: 8494.32, 0.00316609/step, 2.03403 hours remaining, 238.558594 MB of memory in use. ENERGY: 2687200 4007.2017 20556.8271 14409.3748 261.4639 -203714.9500 2810.2107 0.0000 0.0000 52275.3864 -109394.4855 300.4274 -161669.8719 -109028.6269 299.8207 -76.9603 -51.0334 762234.7042 11.8159 11.8464 PRESSURE: 2687400 -140.893 205.883 119.829 205.882 -388.439 -45.0227 119.828 -45.0227 -134.437 GPRESSURE: 2687400 -118.26 152.278 93.8469 202.156 -354.545 -46.1739 -16.3901 20.8522 -128.811 PRESSAVG: 2687400 22.9766 -9.7706 23.7201 -9.7706 -36.3236 -11.0005 23.7201 -11.0005 1.17955 GPRESSAVG: 2687400 22.4417 -8.14665 22.1222 -10.7127 -35.3988 -13.285 22.2527 -10.0976 0.879591 TIMING: 2687400 CPU: 8494.95, 0.00315141/step Wall: 8494.95, 0.00315141/step, 2.02443 hours remaining, 238.558594 MB of memory in use. ENERGY: 2687400 3988.3619 20483.0588 14432.8785 234.0254 -203043.7852 2236.1578 0.0000 0.0000 52235.1276 -109434.1751 300.1960 -161669.3027 -109064.2774 299.1498 -221.2562 -200.5388 762504.3872 -4.0558 -4.0258 PRESSURE: 2687600 -157.898 -3.91266 155.145 -3.9132 101.793 28.0023 155.145 28.0024 470.467 GPRESSURE: 2687600 -118.749 -80.032 114.047 -111.604 170.498 -123.394 137.334 -29.2436 451.896 PRESSAVG: 2687600 -38.3326 15.6812 -2.02057 15.6812 27.3344 32.9796 -2.02064 32.9795 -1.41774 GPRESSAVG: 2687600 -37.2863 12.3431 -1.389 16.6742 25.5554 34.1547 -2.73996 31.5226 -0.638508 TIMING: 2687600 CPU: 8495.58, 0.0031559/step Wall: 8495.58, 0.0031559/step, 2.02714 hours remaining, 238.558594 MB of memory in use. ENERGY: 2687600 3950.8055 20468.9409 14514.5918 256.6969 -203200.2219 2533.3336 0.0000 0.0000 52060.1113 -109415.7418 299.1902 -161475.8531 -109056.0290 299.6283 138.1203 167.8817 761078.7222 -4.1386 -4.1231 PRESSURE: 2687800 -3.13786 164.642 -145.316 164.643 -48.329 -134.269 -145.316 -134.268 180.332 GPRESSURE: 2687800 87.6738 103.881 -113.848 109.249 16.6825 -188.882 -121.796 -34.7221 119.326 PRESSAVG: 2687800 -51.2913 -29.9551 -24.3143 -29.9551 32.575 -63.5865 -24.3143 -63.5866 -11.2814 GPRESSAVG: 2687800 -52.7933 -28.2152 -24.0024 -29.83 34.5879 -64.1993 -23.4935 -62.5199 -11.8758 TIMING: 2687800 CPU: 8496.21, 0.00314484/step Wall: 8496.21, 0.00314484/step, 2.01986 hours remaining, 238.558594 MB of memory in use. ENERGY: 2687800 4003.8716 20513.4444 14464.4432 244.3707 -203351.4114 2669.6200 0.0000 0.0000 52000.6012 -109455.0602 298.8482 -161455.6614 -109097.4367 299.5562 42.9549 74.5606 760775.5947 -9.9992 -10.0271 PRESSURE: 2688000 -433.612 11.9693 -211.503 11.9699 55.3151 -46.3273 -211.503 -46.3262 -254.773 GPRESSURE: 2688000 -356.187 121.239 -199.318 140.035 53.0871 -18.3773 -204.066 -151.933 -251.592 PRESSAVG: 2688000 -37.9921 13.7594 23.9531 13.7594 36.1284 5.8057 23.9531 5.80568 -27.3718 GPRESSAVG: 2688000 -37.8058 13.6612 24.1676 15.1593 34.9425 5.12037 24.8635 7.10841 -25.5272 TIMING: 2688000 CPU: 8496.84, 0.00313602/step Wall: 8496.84, 0.00313602/step, 2.01402 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2688000 3958.6370 20409.5893 14421.8827 233.3660 -203489.3094 2644.4655 0.0000 0.0000 52224.3497 -109597.0191 300.1341 -161821.3689 -109224.9589 299.0320 -211.0231 -184.8972 761292.5043 -9.7452 -9.4635 PRESSURE: 2688200 26.9032 118.901 -56.8667 118.9 -128.779 -248.783 -56.867 -248.784 -473.04 GPRESSURE: 2688200 52.2153 164.481 -75.0594 103.498 -95.8145 -318.054 -47.8177 -263.017 -451.497 PRESSAVG: 2688200 -42.3404 17.6762 -63.0618 17.6761 32.1971 -24.2739 -63.0618 -24.274 25.4381 GPRESSAVG: 2688200 -43.394 20.2937 -63.4052 15.6012 33.9679 -24.1227 -62.3488 -26.3629 24.7283 TIMING: 2688200 CPU: 8497.47, 0.00314376/step Wall: 8497.47, 0.00314376/step, 2.01882 hours remaining, 238.558594 MB of memory in use. ENERGY: 2688200 3972.9519 20522.7789 14440.8429 229.5903 -202830.9562 2087.9501 0.0000 0.0000 52030.2688 -109546.5734 299.0187 -161576.8422 -109186.5763 299.3843 -191.6387 -165.0322 759875.2588 5.0983 5.1007 LDB: ============= START OF LOAD BALANCING ============== 8509.87 LDB: ============== END OF LOAD BALANCING =============== 8509.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8509.87 LDB: ============= START OF LOAD BALANCING ============== 8510.18 LDB: Largest compute 7078 load 0.032547 is 16.6% of average load 0.195968 LDB: Average compute 0.004393 is 2.2% of average load 0.195968 LDB: TIME 8510.19 LOAD: AVG 0.195968 MAX 0.220113 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 8510.19 LOAD: AVG 0.195968 MAX 0.220113 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 8510.19 LOAD: AVG 0.195968 MAX 0.217636 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 8510.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8510.19 PRESSURE: 2688400 -103.655 -164.036 151.099 -164.035 109.382 19.3289 151.099 19.3289 -281.453 GPRESSURE: 2688400 -81.0712 -197.878 129.385 -215.389 160.134 33.9826 93.5867 -29.8667 -251.762 PRESSAVG: 2688400 -34.3143 5.22169 -109.104 5.22161 74.8915 -2.11417 -109.104 -2.11426 -12.0226 GPRESSAVG: 2688400 -32.6114 2.61048 -108.389 5.34851 74.7107 -3.03589 -111.868 -2.74998 -13.644 TIMING: 2688400 CPU: 8498.11, 0.00321353/step Wall: 8498.11, 0.00321353/step, 2.06344 hours remaining, 237.640625 MB of memory in use. ENERGY: 2688400 3993.1745 20496.6731 14396.7540 244.7254 -203453.9065 2437.4572 0.0000 0.0000 52404.5874 -109480.5348 301.1699 -161885.1222 -109108.0631 299.4018 -91.9083 -57.5663 758168.8376 9.5182 9.4851 PRESSURE: 2688600 -255.793 -112.426 -64.6103 -112.427 -126.197 131.246 -64.6103 131.247 414.477 GPRESSURE: 2688600 -180.913 -55.5989 -48.4654 -270.887 -111.222 112.753 -24.7083 229.078 413.428 PRESSAVG: 2688600 2.19971 -30.5763 46.3422 -30.5762 -61.3372 -2.10067 46.3422 -2.10072 -10.1875 GPRESSAVG: 2688600 1.9749 -30.3388 46.4067 -29.638 -62.8242 -2.73353 47.5805 -0.108178 -8.5131 TIMING: 2688600 CPU: 8498.74, 0.0031374/step Wall: 8498.74, 0.0031374/step, 2.01439 hours remaining, 237.843750 MB of memory in use. ENERGY: 2688600 3967.8991 20492.0397 14458.1422 259.9682 -203008.1259 2607.4151 0.0000 0.0000 51915.9929 -109306.6688 298.3619 -161222.6616 -108929.4111 299.5090 10.8290 40.4311 761992.3983 -23.1083 -23.1208 PRESSURE: 2688800 -133.225 -262.984 -18.9733 -262.984 230.04 -139.793 -18.9735 -139.792 -140.65 GPRESSURE: 2688800 -67.5003 -99.9226 -15.6013 -217.612 160.582 -78.7987 -16.3293 -199.653 -56.0684 PRESSAVG: 2688800 38.3157 -27.4997 40.4777 -27.4997 14.0792 -40.7024 40.4776 -40.7023 -2.32407 GPRESSAVG: 2688800 38.3339 -27.2011 38.432 -28.219 14.2905 -39.737 43.334 -41.1765 -2.90491 TIMING: 2688800 CPU: 8499.37, 0.0031586/step Wall: 8499.37, 0.0031586/step, 2.02782 hours remaining, 237.843750 MB of memory in use. ENERGY: 2688800 4018.2888 20518.2524 14450.1961 234.9815 -203129.1433 2524.9601 0.0000 0.0000 52245.5293 -109136.9351 300.2558 -161382.4644 -108760.3659 299.9989 -14.6115 12.3379 761047.8686 16.6903 16.5731 PRESSURE: 2689000 -354.009 -42.6578 125.78 -42.6573 -172.81 -88.8691 125.78 -88.869 -116.235 GPRESSURE: 2689000 -352.569 -76.7504 119.565 -59.3159 -6.15209 -130.431 169.13 21.4945 -184.257 PRESSAVG: 2689000 -23.5796 -21.2912 26.812 -21.2913 9.40406 -10.5909 26.812 -10.5909 -18.5583 GPRESSAVG: 2689000 -23.8552 -21.1313 27.3322 -21.2721 10.7408 -9.78524 26.1186 -10.561 -19.8095 TIMING: 2689000 CPU: 8500, 0.00315793/step Wall: 8500, 0.00315793/step, 2.02721 hours remaining, 237.843750 MB of memory in use. ENERGY: 2689000 4021.6137 20671.9995 14429.3817 240.8651 -202971.9690 2387.2436 0.0000 0.0000 52111.6444 -109109.2210 299.4863 -161220.8654 -108747.0488 299.8862 -214.3515 -180.9928 761273.5072 -10.9113 -10.9746 PRESSURE: 2689200 89.753 -49.1217 -324.387 -49.1212 -212.792 77.4738 -324.387 77.4745 -174.693 GPRESSURE: 2689200 58.0744 -159.392 -280.795 5.15287 -124.898 191.99 -273.287 -5.24608 -145.543 PRESSAVG: 2689200 3.93623 0.72221 -16.3303 0.722205 13.6769 -18.8559 -16.3303 -18.8559 0.831238 GPRESSAVG: 2689200 4.12737 -0.480068 -15.117 -1.1484 12.835 -20.3061 -18.1889 -18.9352 2.04419 TIMING: 2689200 CPU: 8500.63, 0.0031585/step Wall: 8500.63, 0.0031585/step, 2.02741 hours remaining, 237.843750 MB of memory in use. ENERGY: 2689200 4090.9596 20289.3915 14463.2312 236.8689 -202898.9582 2606.6587 0.0000 0.0000 52062.5856 -109149.2627 299.2044 -161211.8483 -108781.3940 300.1643 -99.2438 -70.7889 760438.0547 6.1481 6.3355 PRESSURE: 2689400 126.253 27.2861 282.555 27.286 205.2 -127.122 282.555 -127.121 -102.503 GPRESSURE: 2689400 100.327 26.3525 362.132 14.1371 244.365 -100.727 307.218 -139.893 -31.0245 PRESSAVG: 2689400 15.4424 -7.93181 27.5873 -7.93184 26.955 26.8588 27.5872 26.8588 -3.02265 GPRESSAVG: 2689400 15.2971 -6.38378 27.4179 -5.68834 27.3287 24.9881 31.1117 29.2709 -3.20752 TIMING: 2689400 CPU: 8501.27, 0.00316105/step Wall: 8501.27, 0.00316105/step, 2.02887 hours remaining, 237.843750 MB of memory in use. ENERGY: 2689400 3984.0741 20400.8426 14477.4921 264.2438 -203445.6413 2791.3843 0.0000 0.0000 52286.0780 -109241.5264 300.4888 -161527.6044 -108874.8774 300.1331 76.3167 104.5556 760926.4249 13.1249 13.1395 PRESSURE: 2689600 209.844 -26.1608 89.8207 -26.161 -341.002 15.2245 89.8208 15.2259 143.958 GPRESSURE: 2689600 205.765 -14.4429 49.8634 10.9237 -273.092 -34.0948 -18.1498 30.2229 166.713 PRESSAVG: 2689600 37.9171 -43.1855 -1.48154 -43.1855 -10.6546 18.1542 -1.48146 18.1542 -2.64718 GPRESSAVG: 2689600 37.4932 -40.879 -1.7001 -44.4415 -9.97688 20.2445 -5.90333 16.546 -2.96742 TIMING: 2689600 CPU: 8501.9, 0.00316711/step Wall: 8501.9, 0.00316711/step, 2.03258 hours remaining, 237.843750 MB of memory in use. ENERGY: 2689600 4053.8279 20474.3711 14502.6494 268.2800 -202930.9664 2409.3868 0.0000 0.0000 51776.1133 -109446.3380 297.5580 -161222.4513 -109088.4495 299.5005 4.2668 33.1288 760132.3647 8.2051 8.1830 PRESSURE: 2689800 15.9179 -224.657 -111.567 -224.658 -45.827 -41.2502 -111.568 -41.2508 31.7398 GPRESSURE: 2689800 0.40155 -134.626 -70.8175 -238.009 57.7772 75.0623 -106.641 -58.9966 25.2934 PRESSAVG: 2689800 -37.057 -5.58185 2.27832 -5.58198 44.3129 76.4464 2.27835 76.4464 -1.94688 GPRESSAVG: 2689800 -36.9485 -8.00188 3.38537 -6.4326 44.3528 78.3322 3.22136 76.9049 -2.07374 TIMING: 2689800 CPU: 8502.53, 0.00315114/step Wall: 8502.53, 0.00315114/step, 2.02215 hours remaining, 237.843750 MB of memory in use. ENERGY: 2689800 3925.9469 20381.4636 14456.2179 264.4455 -203433.5996 2803.4519 0.0000 0.0000 52052.5326 -109549.5413 299.1466 -161602.0739 -109195.1690 298.9742 0.6102 27.8240 761533.7435 1.7697 1.7769 PRESSURE: 2690000 223.625 -190.75 105.061 -190.749 -72.0379 113.069 105.062 113.069 261.743 GPRESSURE: 2690000 212.344 -87.1032 61.7075 -83.0005 44.3921 33.1081 137.507 25.3501 243.766 PRESSAVG: 2690000 -38.9939 -9.21265 24.1697 -9.21258 31.6452 32.0235 24.1697 32.0235 9.26712 GPRESSAVG: 2690000 -38.4265 -9.95085 22.2972 -6.00881 31.359 31.791 24.9245 28.6632 8.51534 TIMING: 2690000 CPU: 8503.16, 0.00316825/step Wall: 8503.16, 0.00316825/step, 2.03296 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2690000 3896.9079 20480.6082 14420.2229 246.6932 -203094.2532 2546.4511 0.0000 0.0000 51962.0786 -109541.2913 298.6268 -161503.3699 -109179.3207 299.1521 137.7768 166.8340 761978.6700 0.6395 0.4826 PRESSURE: 2690200 -78.3046 109.693 -164.777 109.693 -149.741 -78.4504 -164.777 -78.4494 -105.52 GPRESSURE: 2690200 -153.088 130.177 -149.801 79.7796 -38.5616 -78.3797 -110.952 -27.0912 -54.9975 PRESSAVG: 2690200 19.7613 -59.2361 13.6258 -59.2361 -51.3265 31.054 13.6258 31.054 12.9239 GPRESSAVG: 2690200 18.9796 -58.1739 14.3603 -62.5234 -51.8606 29.5274 11.6594 34.1726 13.9958 TIMING: 2690200 CPU: 8503.8, 0.00316105/step Wall: 8503.8, 0.00316105/step, 2.02817 hours remaining, 237.843750 MB of memory in use. ENERGY: 2690200 4082.0751 20367.2729 14440.0732 224.6762 -203037.9721 2334.1099 0.0000 0.0000 52181.6017 -109408.1630 299.8884 -161589.7648 -109045.1258 299.3165 -111.1886 -82.2156 760335.8373 -6.2138 -6.2951 PRESSURE: 2690400 54.4742 -94.4558 16.8018 -94.4558 217.861 122.478 16.8018 122.478 -123.406 GPRESSURE: 2690400 99.1413 -83.6069 105.08 -148.956 282.43 144.287 1.81434 149.331 -155.211 PRESSAVG: 2690400 18.6019 -71.4146 2.0736 -71.4147 -44.0409 4.00682 2.07353 4.00679 -3.52584 GPRESSAVG: 2690400 19.0595 -74.8675 2.77416 -69.5297 -44.1491 4.62412 2.37933 1.17605 -4.42749 TIMING: 2690400 CPU: 8504.43, 0.00315271/step Wall: 8504.43, 0.00315271/step, 2.02264 hours remaining, 237.843750 MB of memory in use. ENERGY: 2690400 3980.0483 20288.0707 14452.4183 256.7404 -203281.6866 2672.7933 0.0000 0.0000 52343.7569 -109287.8588 300.8203 -161631.6157 -108925.5012 299.7285 49.6431 75.4537 760039.3810 -9.6549 -9.8390 PRESSURE: 2690600 144.657 -272.461 -133.968 -272.461 68.9653 -96.5277 -133.968 -96.5279 -186.816 GPRESSURE: 2690600 98.896 -187.14 -108.788 -260.157 171.796 -97.6012 -55.525 -85.4679 -163.653 PRESSAVG: 2690600 34.7376 -48.4249 45.3754 -48.4248 -2.62233 12.5096 45.3754 12.5095 -23.167 GPRESSAVG: 2690600 33.9302 -43.8292 44.9292 -50.3534 -2.59104 13.0177 46.0781 14.0803 -22.6354 TIMING: 2690600 CPU: 8505.06, 0.0031466/step Wall: 8505.06, 0.0031466/step, 2.01854 hours remaining, 237.843750 MB of memory in use. ENERGY: 2690600 3947.7808 20609.4612 14461.7006 241.7669 -203199.5231 2408.3714 0.0000 0.0000 52325.2404 -109205.2019 300.7139 -161530.4423 -108831.2012 299.4536 8.9357 35.6797 760112.8153 2.9828 2.9013 PRESSURE: 2690800 -178.366 -14.9745 -17.7835 -14.9751 -111.175 27.1808 -17.7831 27.1804 -101.777 GPRESSURE: 2690800 -144.608 -69.1173 -66.0811 21.0091 -97.255 45.1075 -88.9034 -18.9367 -61.6417 PRESSAVG: 2690800 33.9482 -63.853 7.81618 -63.853 -40.9522 -14.8227 7.81609 -14.8228 -2.39222 GPRESSAVG: 2690800 34.1904 -65.0233 8.49199 -64.0073 -41.6444 -14.5817 8.57245 -14.7735 -1.81478 TIMING: 2690800 CPU: 8505.69, 0.00315123/step Wall: 8505.69, 0.00315123/step, 2.02134 hours remaining, 237.843750 MB of memory in use. ENERGY: 2690800 3959.9020 20465.0521 14511.5029 244.7838 -203112.7647 2421.1025 0.0000 0.0000 52214.5057 -109295.9157 300.0775 -161510.4214 -108934.7762 300.1660 -130.4394 -101.1681 760743.1409 -3.1321 -3.0896 PRESSURE: 2691000 -307.933 38.4135 -4.70616 38.4138 227.042 -126.671 -4.70613 -126.671 402.524 GPRESSURE: 2691000 -216.332 -9.7945 36.6935 72.1491 212.502 -183.102 99.3032 49.4351 407.836 PRESSAVG: 2691000 -4.55163 -4.03065 -47.9267 -4.0306 22.56 -59.4 -47.9267 -59.4 8.85989 GPRESSAVG: 2691000 -3.63628 -6.20259 -49.8795 -3.07772 22.8608 -61.1854 -47.6373 -58.0537 7.51209 TIMING: 2691000 CPU: 8506.32, 0.00317378/step Wall: 8506.32, 0.00317378/step, 2.03563 hours remaining, 237.843750 MB of memory in use. ENERGY: 2691000 3979.0009 20661.5799 14429.2526 262.3617 -203815.8207 2817.8786 0.0000 0.0000 52442.7496 -109222.9974 301.3892 -161665.7470 -108865.8710 299.9818 107.2111 134.6687 759558.8093 8.9561 8.9122 PRESSURE: 2691200 -64.8699 18.9064 -140.619 18.9062 -138.01 151.382 -140.62 151.382 316.72 GPRESSURE: 2691200 65.684 33.8584 -2.97912 46.1795 -180.585 210.752 -231.925 114.729 347.435 PRESSAVG: 2691200 23.8875 -72.1282 -40.2049 -72.1281 -29.315 -31.2299 -40.2048 -31.2299 10.5948 GPRESSAVG: 2691200 24.3161 -70.2218 -38.1934 -74.4802 -29.7256 -30.0871 -42.2237 -31.9003 11.071 TIMING: 2691200 CPU: 8506.95, 0.00315906/step Wall: 8506.95, 0.00315906/step, 2.02601 hours remaining, 237.843750 MB of memory in use. ENERGY: 2691200 3991.7480 20554.3293 14450.5924 265.3628 -203276.7299 2714.8753 0.0000 0.0000 52202.2011 -109097.6211 300.0068 -161299.8222 -108733.1201 300.0718 37.9467 77.5115 760358.9177 1.7224 1.8872 PRESSURE: 2691400 308.948 -166.15 -12.224 -166.15 -108.567 -90.1101 -12.2251 -90.1105 216.502 GPRESSURE: 2691400 250.288 -61.6451 -11.2559 -215.758 59.6468 -146.657 -2.45513 -170.839 188.204 PRESSAVG: 2691400 93.8003 -4.13627 17.7355 -4.13626 -65.138 -12.789 17.7354 -12.7889 36.6412 GPRESSAVG: 2691400 93.1356 -5.25422 17.697 -2.97506 -63.5401 -13.2686 17.7825 -12.9694 36.1192 TIMING: 2691400 CPU: 8507.58, 0.00316442/step Wall: 8507.58, 0.00316442/step, 2.02927 hours remaining, 237.843750 MB of memory in use. ENERGY: 2691400 4017.6788 20492.4830 14508.5852 272.1514 -203326.6942 2598.6599 0.0000 0.0000 52287.1580 -109149.9780 300.4950 -161437.1359 -108790.3163 300.1261 138.9611 166.0463 761715.5261 21.7679 21.9049 PRESSURE: 2691600 -117.106 133.437 116.265 133.438 -162.718 -158.539 116.264 -158.539 -180.526 GPRESSURE: 2691600 35.3832 107.426 145.53 92.9834 -184.033 -188.462 45.2775 -147.007 -214.405 PRESSAVG: 2691600 46.3274 -21.2799 14.9518 -21.2799 -45.8281 -35.971 14.9518 -35.971 -16.9102 GPRESSAVG: 2691600 46.436 -20.7645 14.3932 -18.8644 -46.9943 -36.8793 16.6734 -36.6095 -16.5087 TIMING: 2691600 CPU: 8508.22, 0.00316557/step Wall: 8508.22, 0.00316557/step, 2.02984 hours remaining, 237.843750 MB of memory in use. ENERGY: 2691600 4001.4387 20517.8121 14502.5094 256.2211 -203251.0974 2587.0421 0.0000 0.0000 52198.2616 -109187.8126 299.9841 -161386.0742 -108814.0727 299.8452 -153.4501 -121.0182 761950.8106 -5.4703 -5.6890 PRESSURE: 2691800 -86.8757 135.51 204.286 135.51 -369.383 -140.455 204.288 -140.454 61.834 GPRESSURE: 2691800 -40.2615 -19.2093 176.066 122.6 -274.046 -107.363 156.828 -42.6347 2.04156 PRESSAVG: 2691800 48.5533 -6.36735 -30.2423 -6.36733 -27.4504 -47.4227 -30.2423 -47.4226 6.25121 GPRESSAVG: 2691800 48.157 -6.8501 -30.426 -6.69896 -26.3251 -46.0661 -32.6086 -45.7262 5.6892 TIMING: 2691800 CPU: 8508.85, 0.00315362/step Wall: 8508.85, 0.00315362/step, 2.02199 hours remaining, 237.843750 MB of memory in use. ENERGY: 2691800 3989.4896 20497.1361 14420.6300 256.0423 -203021.3103 2283.8218 0.0000 0.0000 52202.1522 -109372.0382 300.0065 -161574.1904 -109004.8238 300.1162 -131.4749 -104.0885 761900.9088 9.1180 9.1737 PRESSURE: 2692000 152.14 -157.452 -300.868 -157.454 271.987 -221.59 -300.868 -221.59 318.62 GPRESSURE: 2692000 236.193 -71.0584 -237.899 -164.539 314.236 -249.591 -249.178 -46.5508 278.433 PRESSAVG: 2692000 32.4847 -64.63 10.0098 -64.63 -49.5285 -40.6318 10.0098 -40.6318 -6.51802 GPRESSAVG: 2692000 33.0053 -63.4768 10.0562 -66.7519 -49.4095 -42.6318 9.9884 -40.6742 -6.14134 TIMING: 2692000 CPU: 8509.48, 0.00313881/step Wall: 8509.48, 0.00313881/step, 2.01232 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2692000 4049.7109 20620.1544 14446.1876 238.5694 -204077.3772 3159.7041 0.0000 0.0000 52157.9723 -109405.0786 299.7526 -161563.0509 -109051.8531 299.8587 247.5824 276.2874 760851.7718 -7.8540 -7.5152 PRESSURE: 2692200 65.0002 -49.6432 115.697 -49.6419 172.161 6.56228 115.697 6.56155 -302.771 GPRESSURE: 2692200 132.946 -84.8499 -4.84434 -29.4589 112.608 -47.1916 186.61 -167.139 -232.879 PRESSAVG: 2692200 24.3312 -36.4455 39.2798 -36.4456 -59.5844 36.783 39.2798 36.7831 -8.84633 GPRESSAVG: 2692200 24.5882 -36.8636 39.6546 -36.0066 -59.1945 39.7465 40.3516 34.0234 -9.25659 TIMING: 2692200 CPU: 8510.11, 0.00314851/step Wall: 8510.11, 0.00314851/step, 2.01837 hours remaining, 237.843750 MB of memory in use. ENERGY: 2692200 4002.2406 20454.8305 14433.4239 251.5273 -203279.5075 2592.2141 0.0000 0.0000 52144.4383 -109400.8328 299.6748 -161545.2711 -109035.7646 299.5102 -21.8700 4.2250 761707.5797 -14.6998 -14.6210 LDB: ============= START OF LOAD BALANCING ============== 8522.51 LDB: ============== END OF LOAD BALANCING =============== 8522.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8522.51 LDB: ============= START OF LOAD BALANCING ============== 8522.83 LDB: Largest compute 7059 load 0.032625 is 16.6% of average load 0.196042 LDB: Average compute 0.004368 is 2.2% of average load 0.196042 LDB: TIME 8522.83 LOAD: AVG 0.196042 MAX 0.217508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 8522.83 LOAD: AVG 0.196042 MAX 0.217508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.652 MB LDB: TIME 8522.83 LOAD: AVG 0.196042 MAX 0.217508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.652 MB LDB: ============== END OF LOAD BALANCING =============== 8522.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8522.84 PRESSURE: 2692400 104.367 -30.3754 82.8858 -30.3753 -205.033 -104.085 82.8861 -104.086 -235.381 GPRESSURE: 2692400 90.1506 -17.6291 144.309 32.3642 -18.1644 -32.7828 -101.795 -181.327 -327.638 PRESSAVG: 2692400 54.9457 8.96375 2.16154 8.96378 -23.8777 -40.2069 2.16157 -40.207 -32.4692 GPRESSAVG: 2692400 54.2046 7.23287 0.772593 12.2505 -22.1304 -40.6876 0.601132 -37.8969 -33.8471 TIMING: 2692400 CPU: 8510.75, 0.00323666/step Wall: 8510.75, 0.00323666/step, 2.0747 hours remaining, 238.355469 MB of memory in use. ENERGY: 2692400 4057.7994 20564.4859 14433.7516 238.3809 -203343.1000 2512.7650 0.0000 0.0000 52008.6677 -109527.2495 298.8945 -161535.9172 -109167.8579 299.2323 -112.0156 -85.2173 761336.6153 -0.4671 -0.5910 PRESSURE: 2692600 70.6974 -160.15 -24.2278 -160.15 292.797 167.776 -24.2283 167.778 286.2 GPRESSURE: 2692600 91.6135 -191.604 62.3268 -164.604 345.43 208.144 33.2992 189.374 303.023 PRESSAVG: 2692600 24.279 -9.92331 -11.7758 -9.92331 -26.3607 21.1184 -11.7758 21.1183 -4.52024 GPRESSAVG: 2692600 25.0197 -8.10271 -11.3222 -11.9591 -28.0385 19.2757 -11.3335 21.3959 -3.88125 TIMING: 2692600 CPU: 8511.38, 0.0031479/step Wall: 8511.38, 0.0031479/step, 2.01763 hours remaining, 238.355469 MB of memory in use. ENERGY: 2692600 3983.7573 20467.6606 14430.4576 252.3875 -203540.3026 2654.2010 0.0000 0.0000 52308.9395 -109442.8992 300.6202 -161751.8387 -109083.8099 299.3801 216.5648 246.6889 760592.5443 -2.2007 -2.3000 PRESSURE: 2692800 -90.2782 11.2105 -80.2493 11.2099 -218.534 50.5897 -80.2494 50.5897 -532.985 GPRESSURE: 2692800 -122.968 -30.5029 -65.7948 -74.7032 -216.399 92.7743 -209.418 -85.1475 -441.116 PRESSAVG: 2692800 57.5226 -52.4276 15.6768 -52.4277 -59.9413 21.5606 15.6769 21.5607 1.49538 GPRESSAVG: 2692800 56.7875 -51.9722 17.5197 -53.4896 -60.2449 23.4189 15.3479 21.4616 2.54039 TIMING: 2692800 CPU: 8512.01, 0.00315365/step Wall: 8512.01, 0.00315365/step, 2.02114 hours remaining, 238.355469 MB of memory in use. ENERGY: 2692800 4054.7344 20607.8252 14480.2465 245.8512 -202893.1899 2166.2010 0.0000 0.0000 51720.5791 -109617.7524 297.2389 -161338.3315 -109251.2046 299.1204 -280.5992 -260.1607 761973.7202 -0.3078 -0.3057 PRESSURE: 2693000 -551.557 96.7319 76.5984 96.732 -364.049 -70.4689 76.598 -70.4679 -248.566 GPRESSURE: 2693000 -430.047 34.3252 69.7175 -4.20032 -420.065 -55.0334 81.7708 -181.868 -207.19 PRESSAVG: 2693000 73.2697 -0.59116 17.8233 -0.591143 -71.0125 25.0014 17.8233 25.0013 -22.1866 GPRESSAVG: 2693000 74.7031 -2.37582 16.2238 1.74277 -71.8282 22.7349 17.1542 24.746 -22.4433 TIMING: 2693000 CPU: 8512.64, 0.00313724/step Wall: 8512.64, 0.00313724/step, 2.01045 hours remaining, 238.355469 MB of memory in use. ENERGY: 2693000 4056.6739 20609.6219 14479.6112 260.2203 -203426.7745 2441.3308 0.0000 0.0000 52012.8772 -109566.4392 298.9187 -161579.3163 -109202.1320 299.0435 -388.0573 -352.4340 761581.4644 -6.6431 -6.5228 PRESSURE: 2693200 -53.7162 54.1655 83.372 54.1659 -374.033 125.479 83.3715 125.478 33.6823 GPRESSURE: 2693200 -87.8688 134.821 14.6671 62.2452 -218.607 149.08 118.369 202.523 -20.8939 PRESSAVG: 2693200 -3.38157 17.1425 -2.11623 17.1425 5.51688 41.4028 -2.11617 41.4029 35.6528 GPRESSAVG: 2693200 -3.85456 18.7612 -2.78873 14.7763 6.71543 41.061 -0.366628 41.7178 35.1787 TIMING: 2693200 CPU: 8513.27, 0.00314674/step Wall: 8513.27, 0.00314675/step, 2.01636 hours remaining, 238.355469 MB of memory in use. ENERGY: 2693200 3982.9276 20556.0597 14466.2646 249.2132 -203392.5471 2402.9845 0.0000 0.0000 52055.7610 -109679.3365 299.1652 -161735.0975 -109330.1587 299.3232 -131.3558 -109.1233 760693.0551 12.5960 12.6799 PRESSURE: 2693400 -265.328 -48.1228 -139.887 -48.123 154.74 -18.4115 -139.889 -18.4106 45.5515 GPRESSURE: 2693400 -206.374 -46.9331 -149.139 -27.8333 129.19 -107.965 -91.738 47.7671 66.2147 PRESSAVG: 2693400 23.9352 -3.34633 -19.8677 -3.34624 -36.9627 31.6487 -19.8676 31.6487 -23.5677 GPRESSAVG: 2693400 23.3774 -2.96217 -18.9777 -4.06404 -36.7965 31.9125 -19.3043 33.1692 -23.1513 TIMING: 2693400 CPU: 8513.9, 0.00315009/step Wall: 8513.9, 0.00315009/step, 2.01833 hours remaining, 238.355469 MB of memory in use. ENERGY: 2693400 3947.6733 20526.5772 14529.8317 267.0941 -203497.9983 2472.6752 0.0000 0.0000 52132.7726 -109621.3741 299.6078 -161754.1467 -109268.3311 298.7800 -21.6789 -3.6562 760159.5457 -12.1984 -12.1901 PRESSURE: 2693600 28.7988 115.2 67.1875 115.201 -173.764 87.9022 67.1874 87.9024 -217.55 GPRESSURE: 2693600 -12.9768 73.2264 92.3598 177.269 -93.9545 146.13 -24.5734 142.65 -175.095 PRESSAVG: 2693600 9.67109 4.5491 -17.2777 4.54911 -17.3227 24.6377 -17.2777 24.6377 -17.9078 GPRESSAVG: 2693600 9.05912 3.19343 -17.1601 7.31141 -17.5318 26.2623 -18.0039 22.4359 -18.0404 TIMING: 2693600 CPU: 8514.53, 0.0031471/step Wall: 8514.53, 0.0031471/step, 2.01624 hours remaining, 238.355469 MB of memory in use. ENERGY: 2693600 3986.4996 20461.0533 14510.9663 254.6248 -203087.9598 2223.6230 0.0000 0.0000 51967.6027 -109683.5901 298.6585 -161651.1928 -109322.5894 299.3685 -120.8383 -94.0089 760089.9438 -8.5198 -8.8377 PRESSURE: 2693800 -267.353 -4.72838 23.5288 -4.72828 -132.737 14.86 23.5288 14.8596 -476.995 GPRESSURE: 2693800 -207.549 11.8883 92.3726 77.4948 -169.302 6.51142 4.78106 37.8453 -388.072 PRESSAVG: 2693800 -5.11324 -16.4157 37.9673 -16.4156 -15.0689 77.4091 37.9674 77.409 14.1092 GPRESSAVG: 2693800 -4.54651 -16.3318 37.3829 -18.2599 -15.6444 76.5498 36.2729 74.949 14.8226 TIMING: 2693800 CPU: 8515.16, 0.00314134/step Wall: 8515.16, 0.00314135/step, 2.01238 hours remaining, 238.355469 MB of memory in use. ENERGY: 2693800 3972.0389 20466.7404 14498.6995 259.8593 -203295.6295 2431.3327 0.0000 0.0000 52066.2839 -109600.6747 299.2256 -161666.9586 -109232.9950 299.3735 -292.3618 -254.9741 760232.7925 -2.0243 -1.7894 PRESSURE: 2694000 -293.04 -28.2319 -39.2559 -28.2319 -254.528 80.6111 -39.2562 80.6107 261.001 GPRESSURE: 2694000 -267.021 23.0008 -25.7646 -57.9508 -168.506 71.035 -81.7315 130.653 225.584 PRESSAVG: 2694000 -1.19115 -26.0003 18.8234 -26.0003 -12.8876 56.3203 18.8233 56.3204 0.39121 GPRESSAVG: 2694000 -0.936959 -27.1837 19.4731 -23.213 -12.9326 56.5453 19.1606 57.8063 0.539183 TIMING: 2694000 CPU: 8515.78, 0.00312993/step Wall: 8515.78, 0.00312993/step, 2.0049 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2694000 4021.3538 20386.6163 14479.8354 226.2186 -203295.0970 2474.3531 0.0000 0.0000 52051.1105 -109655.6093 299.1384 -161706.7197 -109294.8543 298.8299 -95.5223 -69.9809 760778.8074 -4.5625 -4.4435 PRESSURE: 2694200 20.8859 98.0564 78.5373 98.0563 20.5584 36.0925 78.5376 36.0924 24.0796 GPRESSURE: 2694200 22.6467 100.861 86.2637 174.517 77.9589 29.0778 144.278 11.7441 59.8162 PRESSAVG: 2694200 -48.8176 20.6295 35.453 20.6294 -0.868748 -8.34593 35.453 -8.34595 2.12938 GPRESSAVG: 2694200 -48.9094 23.5149 34.1596 18.3823 -1.57455 -8.48971 36.8219 -6.66276 2.40642 TIMING: 2694200 CPU: 8516.41, 0.00314563/step Wall: 8516.41, 0.00314563/step, 2.01478 hours remaining, 238.355469 MB of memory in use. ENERGY: 2694200 3972.4774 20502.6089 14350.2344 238.1801 -202999.1804 2233.3541 0.0000 0.0000 52077.0508 -109625.2746 299.2875 -161702.3254 -109258.6289 299.1636 21.8413 53.4739 761071.1208 -15.8523 -16.0258 PRESSURE: 2694400 265.503 -90.3775 -37.4264 -90.3762 -54.5276 -105.093 -37.4261 -105.093 351.985 GPRESSURE: 2694400 175.163 -48.3954 -17.3759 -67.7412 144.033 -103.885 -36.8131 -24.9233 311.791 PRESSAVG: 2694400 -12.4912 -19.0334 10.1628 -19.0334 1.61199 -6.26067 10.1628 -6.26068 -1.88633 GPRESSAVG: 2694400 -12.1058 -20.5909 12.9281 -18.3092 1.09063 -6.51707 9.58539 -6.18837 -1.55767 TIMING: 2694400 CPU: 8517.05, 0.00316081/step Wall: 8517.05, 0.00316081/step, 2.02432 hours remaining, 238.355469 MB of memory in use. ENERGY: 2694400 3968.7248 20547.9107 14503.7669 228.6741 -203394.4738 2628.7764 0.0000 0.0000 51952.0382 -109564.5828 298.5691 -161516.6210 -109205.9785 299.1626 187.6534 210.3289 759812.1717 -4.2552 -4.1910 PRESSURE: 2694600 1.60198 -39.6131 -45.4326 -39.6123 209.664 16.6426 -45.4323 16.6423 -8.72703 GPRESSURE: 2694600 -26.5384 -203.676 43.3642 -107.851 296.604 50.9418 -55.1089 -97.492 11.447 PRESSAVG: 2694600 25.2672 -22.154 52.0347 -22.154 -16.4909 63.6552 52.0348 63.6552 13.975 GPRESSAVG: 2694600 25.0998 -22.9985 52.21 -22.8105 -15.0442 64.8797 51.3783 60.4053 12.7199 TIMING: 2694600 CPU: 8517.67, 0.003143/step Wall: 8517.67, 0.003143/step, 2.01274 hours remaining, 238.355469 MB of memory in use. ENERGY: 2694600 4018.5440 20543.6863 14535.8033 224.7866 -203769.1191 2749.8089 0.0000 0.0000 52014.4427 -109682.0473 298.9277 -161696.4900 -109320.5092 299.2905 67.5129 93.8375 759295.5979 7.5838 7.5918 PRESSURE: 2694800 249.484 -204.635 -112.715 -204.635 -279.772 96.6672 -112.714 96.6677 112.494 GPRESSURE: 2694800 244.281 -143.133 -76.8725 -208.953 -257.795 140.139 -33.9298 138.825 178.741 PRESSAVG: 2694800 5.4044 -31.6155 -13.8687 -31.6155 19.8842 79.9496 -13.8686 79.9496 23.1258 GPRESSAVG: 2694800 6.35703 -30.0233 -15.1381 -31.2707 19.1145 81.5004 -10.3468 79.8563 22.8731 TIMING: 2694800 CPU: 8518.3, 0.00314548/step Wall: 8518.3, 0.00314548/step, 2.01416 hours remaining, 238.355469 MB of memory in use. ENERGY: 2694800 3919.3884 20537.9552 14521.6351 246.5418 -203201.7579 2288.9816 0.0000 0.0000 52165.6946 -109521.5613 299.7970 -161687.2559 -109158.4682 298.9386 27.4019 55.0757 761542.3947 16.1381 16.1149 PRESSURE: 2695000 -79.0979 88.2701 99.454 88.2698 -121.468 21.7924 99.4534 21.7927 45.6108 GPRESSURE: 2695000 -101.17 69.2393 148.586 101.773 -78.3599 72.6125 96.6795 177.572 110.212 PRESSAVG: 2695000 27.7432 -31.7494 7.54934 -31.7494 -37.038 17.0627 7.5494 17.0626 2.66931 GPRESSAVG: 2695000 27.5433 -32.6378 6.58113 -29.239 -38.3255 14.0136 5.11855 19.189 4.52066 TIMING: 2695000 CPU: 8518.93, 0.00315036/step Wall: 8518.93, 0.00315036/step, 2.01711 hours remaining, 238.355469 MB of memory in use. ENERGY: 2695000 4000.4327 20382.5028 14517.1313 235.2626 -203087.5556 2426.6130 0.0000 0.0000 51750.1596 -109775.4536 297.4089 -161525.6132 -109417.0765 298.5011 -51.6517 -23.1060 760752.0387 -2.2085 -2.0872 PRESSURE: 2695200 231.236 -11.9172 201.695 -11.9174 -200.551 37.0557 201.695 37.0555 -355.737 GPRESSURE: 2695200 260.586 -64.2751 231.833 -30.0472 -165.962 92.4738 197.279 -51.9195 -316.766 PRESSAVG: 2695200 28.8275 -8.43557 41.1405 -8.43554 -31.3432 21.8137 41.1405 21.8138 -12.6989 GPRESSAVG: 2695200 28.8071 -8.33903 42.0692 -9.82231 -29.0167 22.4385 41.3765 22.0353 -14.7766 TIMING: 2695200 CPU: 8519.56, 0.00314474/step Wall: 8519.56, 0.00314474/step, 2.01333 hours remaining, 238.355469 MB of memory in use. ENERGY: 2695200 4037.1491 20521.5757 14478.7849 237.8308 -203386.3353 2659.8074 0.0000 0.0000 51915.1928 -109535.9946 298.3573 -161451.1874 -109164.8099 298.9901 -108.3508 -74.0472 763208.0722 -5.0715 -4.9954 PRESSURE: 2695400 -128.725 -130.673 21.2125 -130.674 41.8977 -96.3955 21.2122 -96.3968 22.8444 GPRESSURE: 2695400 48.7881 -14.2494 -1.40048 -101.513 -1.47444 -145.271 -3.52446 97.1652 -40.1832 PRESSAVG: 2695400 34.0082 -18.8628 83.1261 -18.8628 -43.4722 31.9719 83.126 31.9719 5.60518 GPRESSAVG: 2695400 34.7265 -18.4828 83.6599 -20.9979 -45.689 33.074 82.6381 32.3158 6.38373 TIMING: 2695400 CPU: 8520.19, 0.00314337/step Wall: 8520.19, 0.00314337/step, 2.01228 hours remaining, 238.355469 MB of memory in use. ENERGY: 2695400 3956.8229 20515.8867 14506.0147 243.6202 -203019.3932 2477.6465 0.0000 0.0000 51864.0684 -109455.3339 298.0635 -161319.4023 -109097.7980 299.0156 -21.3276 2.3768 762129.2281 -1.2863 -1.5263 PRESSURE: 2695600 -81.9907 -103.76 -159.021 -103.759 -126.701 284.955 -159.021 284.954 -87.1673 GPRESSURE: 2695600 -98.0755 -57.1677 -85.481 -115.48 -21.5916 321.13 -200.821 158.556 -73.881 PRESSAVG: 2695600 -6.93358 -10.6875 53.4522 -10.6875 17.0927 2.76046 53.4522 2.76043 4.99687 GPRESSAVG: 2695600 -7.35823 -10.054 52.7659 -8.05943 17.3835 3.06033 53.8056 1.06547 5.61358 TIMING: 2695600 CPU: 8520.83, 0.00317237/step Wall: 8520.83, 0.00317237/step, 2.03067 hours remaining, 238.355469 MB of memory in use. ENERGY: 2695600 3996.1285 20668.7742 14512.8526 272.0455 -203304.5575 2457.5253 0.0000 0.0000 51823.3940 -109573.8373 297.8298 -161397.2313 -109222.5757 299.1351 -98.6197 -64.5160 761725.8965 5.0520 5.2129 PRESSURE: 2695800 75.651 -93.0522 8.10547 -93.0517 -423.493 230.511 8.10545 230.51 218.153 GPRESSURE: 2695800 66.9556 -126.018 -9.586 -50.571 -471.309 299.338 4.55384 83.5687 356.261 PRESSAVG: 2695800 45.3892 -17.9267 25.8583 -17.9266 4.40943 25.207 25.8583 25.207 -4.84107 GPRESSAVG: 2695800 44.7245 -18.5669 26.2455 -19.6808 4.58959 25.2651 24.8996 24.3441 -4.12526 TIMING: 2695800 CPU: 8521.46, 0.00316324/step Wall: 8521.46, 0.00316324/step, 2.02465 hours remaining, 238.355469 MB of memory in use. ENERGY: 2695800 3939.7231 20482.1553 14419.8374 244.3565 -203266.5468 2602.2718 0.0000 0.0000 51979.6569 -109598.5458 298.7278 -161578.2027 -109227.0435 299.2243 -43.2298 -16.0310 761147.0169 14.9858 15.0630 PRESSURE: 2696000 36.9342 142.568 -55.3609 142.567 -499.634 -135.14 -55.3609 -135.14 -129.648 GPRESSURE: 2696000 -14.7979 112.887 -50.9217 121.318 -402.848 -117.19 112.595 -203.47 -84.3643 PRESSAVG: 2696000 8.44434 -49.6832 -2.41833 -49.6832 -27.4019 -47.4257 -2.41831 -47.4258 8.86949 GPRESSAVG: 2696000 7.89659 -48.4986 -2.91564 -49.6544 -26.1739 -46.8602 -0.558045 -47.8198 7.81464 TIMING: 2696000 CPU: 8522.09, 0.00316943/step Wall: 8522.09, 0.00316943/step, 2.02844 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2696000 3972.9741 20545.2791 14424.4312 282.4746 -203130.5083 2240.3766 0.0000 0.0000 52011.8460 -109653.1267 298.9128 -161664.9727 -109282.5558 299.0323 -197.4493 -167.3367 761155.9847 -3.3627 -3.4876 PRESSURE: 2696200 -107.214 -130.956 -46.8303 -130.955 262.98 -208.068 -46.83 -208.069 181.148 GPRESSURE: 2696200 -97.1342 -115.349 -57.842 -183.674 286.183 -323.216 -109.189 -64.604 219.6 PRESSAVG: 2696200 -2.89526 -10.2588 -16.5249 -10.2588 47.256 -34.1082 -16.5249 -34.1083 -11.5079 GPRESSAVG: 2696200 -2.8678 -10.9646 -15.0856 -10.7772 46.974 -36.6201 -19.1836 -30.1212 -11.2006 TIMING: 2696200 CPU: 8522.72, 0.00314962/step Wall: 8522.72, 0.00314962/step, 2.01558 hours remaining, 238.355469 MB of memory in use. ENERGY: 2696200 3937.4940 20561.3870 14487.1608 254.1254 -203519.2607 2559.0198 0.0000 0.0000 52120.3353 -109599.7383 299.5363 -161720.0736 -109237.2768 299.6099 112.3047 136.2163 759690.5610 10.9509 10.9685 LDB: ============= START OF LOAD BALANCING ============== 8535.12 LDB: ============== END OF LOAD BALANCING =============== 8535.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8535.12 LDB: ============= START OF LOAD BALANCING ============== 8535.44 LDB: Largest compute 7036 load 0.034327 is 17.5% of average load 0.196028 LDB: Average compute 0.004383 is 2.2% of average load 0.196028 LDB: TIME 8535.44 LOAD: AVG 0.196028 MAX 0.21603 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 8535.44 LOAD: AVG 0.196028 MAX 0.21603 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 8535.44 LOAD: AVG 0.196028 MAX 0.21603 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 8535.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8535.45 PRESSURE: 2696400 217.455 -138.418 -84.0114 -138.416 84.2796 -62.5552 -84.0119 -62.556 -155.496 GPRESSURE: 2696400 161.953 -75.1796 -126.026 -218.044 143.984 -127.801 -18.9851 -8.33925 -78.369 PRESSAVG: 2696400 -14.3764 -50.3302 -22.1138 -50.3303 -6.06519 3.41504 -22.1138 3.41511 -9.31327 GPRESSAVG: 2696400 -14.6871 -48.9409 -23.3074 -51.0687 -5.70666 5.4553 -21.4173 1.61016 -9.27195 TIMING: 2696400 CPU: 8523.37, 0.00322318/step Wall: 8523.37, 0.00322318/step, 2.06248 hours remaining, 238.613281 MB of memory in use. ENERGY: 2696400 4075.4173 20462.2755 14457.4889 260.3455 -203700.9069 2681.0802 0.0000 0.0000 52055.3339 -109708.9656 299.1627 -161764.2995 -109351.3394 299.3307 48.7463 75.8560 761785.0340 -9.9183 -9.8886 PRESSURE: 2696600 -134.22 17.3964 7.76034 17.3959 -529.842 126.642 7.76001 126.642 -52.3325 GPRESSURE: 2696600 -70.0473 -22.3617 -98.5346 -9.61744 -465.027 35.6901 70.2352 69.7959 -83.433 PRESSAVG: 2696600 28.9382 -53.5713 19.1823 -53.5714 -36.0226 -6.1983 19.1824 -6.19825 11.5111 GPRESSAVG: 2696600 29.9928 -55.9914 17.7887 -52.6495 -37.7384 -5.2261 23.1465 -7.97378 12.497 TIMING: 2696600 CPU: 8524, 0.00314801/step Wall: 8524, 0.00314801/step, 2.0142 hours remaining, 238.613281 MB of memory in use. ENERGY: 2696600 4076.6845 20543.2114 14439.9222 244.1139 -203235.5040 2284.2890 0.0000 0.0000 51856.7013 -109790.5819 298.0212 -161647.2831 -109430.5898 299.2397 -238.7979 -206.1691 763286.9068 1.4756 1.5838 PRESSURE: 2696800 225.13 -114.155 190.5 -114.156 367.319 188.576 190.499 188.575 30.0533 GPRESSURE: 2696800 278.092 -73.3174 160.7 -171.144 337.384 134.461 6.16581 176.473 89.3402 PRESSAVG: 2696800 11.6568 -73.5788 3.82366 -73.5788 19.2831 6.77013 3.82365 6.77021 8.37774 GPRESSAVG: 2696800 11.8742 -71.0059 5.26439 -72.5916 18.8719 6.95823 -1.07235 7.55672 7.87034 TIMING: 2696800 CPU: 8524.63, 0.00316334/step Wall: 8524.63, 0.00316334/step, 2.02383 hours remaining, 238.613281 MB of memory in use. ENERGY: 2696800 3888.8858 20590.4770 14509.0691 244.2910 -204080.8048 2809.1400 0.0000 0.0000 52328.5079 -109710.4339 300.7327 -162038.9418 -109347.4028 299.2569 207.5007 234.9388 761896.7992 13.1059 12.8722 PRESSURE: 2697000 183.162 112.383 -74.7923 112.383 188.353 164.647 -74.7922 164.648 15.7813 GPRESSURE: 2697000 201.293 37.071 -195.971 18.9463 241.089 312.45 -50.114 110.306 25.2819 PRESSAVG: 2697000 53.275 -33.3165 -2.08432 -33.3165 -50.3588 29.309 -2.08429 29.3089 11.6001 GPRESSAVG: 2697000 53.0914 -32.2457 -2.23884 -35.2583 -49.8991 28.5165 -0.381543 28.5344 11.5613 TIMING: 2697000 CPU: 8525.26, 0.00317817/step Wall: 8525.26, 0.00317818/step, 2.03315 hours remaining, 238.613281 MB of memory in use. ENERGY: 2697000 3923.6595 20535.3465 14501.4193 242.4951 -203695.5815 2629.8171 0.0000 0.0000 52077.6219 -109785.2219 299.2908 -161862.8439 -109424.3421 299.2182 129.0987 155.8881 759553.4156 4.8388 4.9179 PRESSURE: 2697200 50.1773 -212.529 84.0691 -212.528 -202.97 97.1373 84.0695 97.1367 -258.334 GPRESSURE: 2697200 40.8661 -233.347 59.1192 -227.604 -185.478 37.9801 35.1585 216.405 -171.344 PRESSAVG: 2697200 -0.469119 -4.25251 1.85896 -4.25252 7.71805 78.0316 1.85901 78.0317 18.2479 GPRESSAVG: 2697200 -0.923656 -6.27826 1.60189 -4.59211 8.95042 77.4468 2.70704 79.6309 17.4586 TIMING: 2697200 CPU: 8525.9, 0.00316496/step Wall: 8525.9, 0.00316496/step, 2.02452 hours remaining, 238.613281 MB of memory in use. ENERGY: 2697200 3949.4714 20545.9283 14564.6204 243.9990 -203773.4384 2621.0048 0.0000 0.0000 51806.1759 -110042.2385 297.7308 -161848.4145 -109682.2284 298.4536 -137.0419 -105.3184 760774.1664 8.4989 8.4951 PRESSURE: 2697400 0.267543 -112.736 35.3557 -112.736 -100.549 175.322 35.3565 175.323 66.2051 GPRESSURE: 2697400 -79.8432 -174.225 2.90226 -103.535 -62.1268 91.986 56.8332 30.1886 197.609 PRESSAVG: 2697400 -7.85985 -54.0207 17.6298 -54.0206 7.76351 26.4534 17.6298 26.4534 -4.07706 GPRESSAVG: 2697400 -8.6856 -53.4766 16.936 -54.6157 7.8719 26.0215 16.0397 27.6094 -2.99764 TIMING: 2697400 CPU: 8526.53, 0.00316495/step Wall: 8526.53, 0.00316495/step, 2.02434 hours remaining, 238.613281 MB of memory in use. ENERGY: 2697400 3942.4894 20533.3956 14485.6972 238.2228 -203639.2886 2745.0312 0.0000 0.0000 51673.8873 -110020.5650 296.9705 -161694.4524 -109652.6439 298.6816 -11.3587 18.5464 760863.2772 -1.3911 -1.2704 PRESSURE: 2697600 10.2744 -79.4028 -75.8219 -79.4032 113.189 -268.174 -75.8213 -268.174 222.916 GPRESSURE: 2697600 100.014 -92.465 -64.8202 25.9943 148.91 -199.031 -123.403 -265.576 168.878 PRESSAVG: 2697600 -35.0634 3.70176 35.7371 3.7017 11.658 9.66099 35.7371 9.66095 4.84655 GPRESSAVG: 2697600 -34.1065 3.54744 35.9365 4.79486 10.3949 10.8113 36.9482 7.99497 4.87945 TIMING: 2697600 CPU: 8527.16, 0.00315672/step Wall: 8527.16, 0.00315672/step, 2.0189 hours remaining, 238.613281 MB of memory in use. ENERGY: 2697600 3918.0561 20515.6991 14510.9715 250.2978 -203863.8284 2513.1050 0.0000 0.0000 52120.3481 -110035.3508 299.5364 -162155.6989 -109674.1983 298.4977 115.4598 139.2675 758894.6844 -6.1863 -6.2774 PRESSURE: 2697800 -221.543 61.0113 -233.995 61.0109 90.1506 14.2832 -233.994 14.2837 222.508 GPRESSURE: 2697800 -158.025 1.85609 -207.616 78.618 184.164 -62.3002 -201.089 59.8056 172.104 PRESSAVG: 2697800 -21.0689 -32.6063 -22.3611 -32.6063 -38.2046 12.5825 -22.3612 12.5826 20.6258 GPRESSAVG: 2697800 -21.3605 -32.3216 -22.2617 -31.8265 -37.5156 11.4263 -23.7013 13.1742 20.3985 TIMING: 2697800 CPU: 8527.79, 0.00315289/step Wall: 8527.79, 0.00315289/step, 2.01627 hours remaining, 238.613281 MB of memory in use. ENERGY: 2697800 3979.0790 20517.1400 14423.1370 254.0447 -203335.3255 2569.2870 0.0000 0.0000 51661.9494 -109930.6885 296.9019 -161592.6378 -109566.4342 298.1600 30.3717 66.0810 760370.1777 -12.8826 -12.8259 PRESSURE: 2698000 -4.38084 29.9054 118.177 29.9058 -205.918 -33.0427 118.178 -33.0429 -391.183 GPRESSURE: 2698000 24.6629 -64.8671 70.6498 45.8503 -177.178 170.605 166.112 -119.498 -339.267 PRESSAVG: 2698000 -18.5288 -54.9549 -15.4038 -54.9549 33.1891 -0.986488 -15.4039 -0.986462 11.2503 GPRESSAVG: 2698000 -17.7302 -55.9723 -14.4883 -57.0479 32.4503 1.39232 -15.3284 -3.23064 11.1694 TIMING: 2698000 CPU: 8528.42, 0.00316155/step Wall: 8528.42, 0.00316155/step, 2.02164 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2698000 3989.8881 20498.0014 14534.9289 241.2560 -203265.1177 2145.1241 0.0000 0.0000 51898.1290 -109957.7902 298.2593 -161855.9191 -109589.3828 298.5734 -200.4939 -163.9275 759863.5540 8.6369 8.6298 PRESSURE: 2698200 -314.812 168.403 -90.5922 168.403 -231.524 54.3218 -90.5922 54.3227 -271.849 GPRESSURE: 2698200 -250.641 155.09 -38.5959 199.1 -225.133 -55.8914 -84.1107 8.89695 -245.688 PRESSAVG: 2698200 63.4401 -38.6229 -39.5059 -38.6228 -125.773 5.88792 -39.5058 5.88787 -14.8884 GPRESSAVG: 2698200 61.3365 -36.6563 -40.8072 -37.0084 -124.474 5.43187 -37.9881 6.69401 -14.2793 TIMING: 2698200 CPU: 8529.05, 0.00314506/step Wall: 8529.05, 0.00314506/step, 2.01092 hours remaining, 238.613281 MB of memory in use. ENERGY: 2698200 3949.6924 20517.5897 14446.2560 253.7799 -203523.3293 2452.6991 0.0000 0.0000 52067.6178 -109835.6944 299.2333 -161903.3121 -109477.1135 298.6924 -272.7280 -240.4872 761203.1361 -25.7406 -25.8055 PRESSURE: 2698400 131.012 -45.4865 -145.463 -45.4866 -227.408 167.215 -145.463 167.215 -218.129 GPRESSURE: 2698400 242.541 -94.8189 -220.94 -96.3679 -210.938 160.153 -90.5608 239.437 -263.731 PRESSAVG: 2698400 79.1766 -6.5007 -44.81 -6.50072 -38.3437 43.4349 -44.81 43.4349 13.8606 GPRESSAVG: 2698400 78.9434 -10.7538 -44.2627 -7.01251 -38.8171 42.2839 -45.4688 45.5207 14.0987 TIMING: 2698400 CPU: 8529.68, 0.00315446/step Wall: 8529.68, 0.00315446/step, 2.01675 hours remaining, 238.613281 MB of memory in use. ENERGY: 2698400 3984.7091 20449.5206 14432.2338 229.6595 -203595.1028 2637.1928 0.0000 0.0000 52018.7594 -109843.0275 298.9525 -161861.7869 -109477.5507 298.7388 -104.8415 -77.3760 761092.0412 18.2312 18.0750 PRESSURE: 2698600 -428.494 -13.621 43.3967 -13.6208 -497.422 81.0825 43.3959 81.0823 -342.781 GPRESSURE: 2698600 -436.923 7.61622 26.566 16.7359 -447.423 83.6703 12.1275 50.2157 -310.131 PRESSAVG: 2698600 30.5282 -10.6669 -20.7179 -10.667 11.4063 67.1697 -20.7179 67.1697 -22.2515 GPRESSAVG: 2698600 32.3855 -4.90483 -21.5904 -10.7819 9.32811 67.8837 -22.0852 65.5823 -22.2564 TIMING: 2698600 CPU: 8530.31, 0.00313823/step Wall: 8530.31, 0.00313823/step, 2.0062 hours remaining, 238.613281 MB of memory in use. ENERGY: 2698600 3970.3635 20564.8599 14398.9946 250.4808 -203378.3869 2226.8483 0.0000 0.0000 52063.3196 -109903.5201 299.2086 -161966.8397 -109540.2590 298.3271 -422.8990 -398.1590 760485.4935 6.5610 6.4857 PRESSURE: 2698800 -67.0856 -47.1526 173.925 -47.1532 79.4947 111.749 173.926 111.749 -5.81613 GPRESSURE: 2698800 -61.3305 -53.4417 83.322 -9.59739 92.1775 171.756 143.249 176.354 55.8414 PRESSAVG: 2698800 -3.43732 5.91646 52.5719 5.9165 -5.4422 25.1384 52.5719 25.1383 2.01449 GPRESSAVG: 2698800 -2.62715 4.29587 52.2695 6.67753 -4.5472 24.9439 53.8001 26.0339 0.491415 TIMING: 2698800 CPU: 8530.94, 0.00315313/step Wall: 8530.94, 0.00315313/step, 2.01555 hours remaining, 238.613281 MB of memory in use. ENERGY: 2698800 4024.5640 20562.9566 14490.9956 266.6522 -203499.5244 2473.6159 0.0000 0.0000 52088.5203 -109592.2198 299.3534 -161680.7401 -109230.7435 299.2130 2.1977 28.8961 759744.5589 -2.2883 -2.2276 PRESSURE: 2699000 -203.472 4.33683 -98.105 4.33759 -210.749 -95.8031 -98.105 -95.803 -5.60367 GPRESSURE: 2699000 -172.117 9.79137 -126.425 49.5576 -118.176 -167.938 -107.226 -60.7404 -56.152 PRESSAVG: 2699000 45.8042 -16.8704 -7.04618 -16.8705 -22.0548 46.1402 -7.04614 46.1402 -8.22585 GPRESSAVG: 2699000 44.0251 -17.9808 -6.41121 -18.5527 -21.0584 46.8194 -6.792 45.1256 -7.70839 TIMING: 2699000 CPU: 8531.57, 0.00313651/step Wall: 8531.57, 0.00313651/step, 2.00475 hours remaining, 238.613281 MB of memory in use. ENERGY: 2699000 3988.5918 20663.9764 14495.8635 244.7365 -203265.8233 2360.8586 0.0000 0.0000 51965.1317 -109546.6648 298.6443 -161511.7965 -109188.1569 299.4527 -139.9414 -115.4818 760926.2319 5.1745 5.0861 PRESSURE: 2699200 -243.895 -69.4797 6.58498 -69.4792 162.339 234.739 6.58459 234.739 189.699 GPRESSURE: 2699200 -219.886 -66.5764 4.53771 -8.21773 193.781 274.023 5.53245 229.371 218.922 PRESSAVG: 2699200 -33.605 -62.1323 -33.6642 -62.1322 22.6125 4.73557 -33.6642 4.73555 5.85767 GPRESSAVG: 2699200 -33.5531 -61.5192 -33.641 -61.6342 21.8706 3.53739 -35.6963 6.04682 6.78514 TIMING: 2699200 CPU: 8532.2, 0.00314215/step Wall: 8532.2, 0.00314215/step, 2.00818 hours remaining, 238.613281 MB of memory in use. ENERGY: 2699200 3976.7481 20454.9048 14463.7229 230.4596 -203081.8139 2165.9755 0.0000 0.0000 52142.9778 -109647.0251 299.6664 -161790.0029 -109278.8218 298.9815 36.0477 64.2725 760796.1137 -1.7116 -1.6325 PRESSURE: 2699400 125.586 40.2541 -303.882 40.2544 -291.489 148.298 -303.882 148.299 -239.079 GPRESSURE: 2699400 98.6175 38.9503 -332.817 -84.3791 -203.648 165.269 -272.704 19.6434 -223.188 PRESSAVG: 2699400 -19.7078 12.1059 9.49693 12.1059 10.4189 11.6809 9.49697 11.6811 5.15754 GPRESSAVG: 2699400 -19.3401 10.2643 8.92768 13.074 9.14582 12.7032 11.9185 9.75832 6.16349 TIMING: 2699400 CPU: 8532.83, 0.00314869/step Wall: 8532.83, 0.00314869/step, 2.01219 hours remaining, 238.613281 MB of memory in use. ENERGY: 2699400 4054.4230 20486.6608 14524.7514 232.7700 -203391.3585 2812.9881 0.0000 0.0000 51810.9938 -109468.7714 297.7585 -161279.7652 -109102.5899 299.0446 -134.9941 -109.4062 761206.7122 -1.3771 -1.3436 PRESSURE: 2699600 -111.983 154.986 161.958 154.985 -55.2909 198.176 161.958 198.176 -270.85 GPRESSURE: 2699600 -74.5852 155.003 35.6863 121.71 -57.2888 133.905 284.158 183.637 -221.17 PRESSAVG: 2699600 -12.9754 -21.8797 -36.8679 -21.8797 0.915664 -15.7609 -36.8679 -15.7609 -6.3376 GPRESSAVG: 2699600 -12.806 -21.8547 -37.3164 -22.207 0.788552 -18.2167 -36.34 -13.7757 -5.92967 TIMING: 2699600 CPU: 8533.46, 0.0031425/step Wall: 8533.46, 0.0031425/step, 2.00806 hours remaining, 238.613281 MB of memory in use. ENERGY: 2699600 4062.4463 20744.2113 14478.4540 239.8717 -203093.2221 2398.3875 0.0000 0.0000 51848.5169 -109321.3345 297.9741 -161169.8514 -108967.6558 299.7054 -146.0413 -117.6815 762579.6594 -6.1324 -5.9824 PRESSURE: 2699800 139.262 26.9866 16.1443 26.9858 -422.411 -204.616 16.1445 -204.616 128.838 GPRESSURE: 2699800 57.7967 41.1008 56.0539 55.2752 -282.018 -144.524 -87.8742 -170.852 151.066 PRESSAVG: 2699800 -27.0688 -9.56782 -10.1184 -9.5678 35.467 8.16233 -10.1184 8.16245 -30.791 GPRESSAVG: 2699800 -26.9962 -8.35271 -9.78822 -9.61587 36.5534 9.58401 -12.4744 8.37222 -32.0799 TIMING: 2699800 CPU: 8534.09, 0.00315357/step Wall: 8534.09, 0.00315357/step, 2.01496 hours remaining, 238.613281 MB of memory in use. ENERGY: 2699800 3985.3846 20600.1026 14499.5211 241.4381 -203203.0192 2425.8662 0.0000 0.0000 52088.7045 -109362.0021 299.3545 -161450.7066 -108999.9557 299.4664 -51.4371 -24.3852 762481.8991 -7.4643 -7.5076 PRESSURE: 2700000 48.7731 153.027 -46.9822 153.027 329.3 -6.63889 -46.983 -6.63881 -12.8471 GPRESSURE: 2700000 73.4553 184.189 -35.2832 146.272 364.369 3.36781 -71.1209 -64.1228 -7.45645 PRESSAVG: 2700000 59.6574 26.9424 -83.0514 26.9423 -11.1328 15.3951 -83.0514 15.3951 19.0854 GPRESSAVG: 2700000 58.9394 24.0779 -83.1578 26.4944 -11.5322 16.2017 -82.2917 15.8992 20.0336 TIMING: 2700000 CPU: 8534.72, 0.00315376/step Wall: 8534.72, 0.00315376/step, 2.0149 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2700000 3962.3114 20570.2202 14550.4180 260.5427 -203350.0852 2479.7096 0.0000 0.0000 52217.5331 -109309.3502 300.0949 -161526.8833 -108936.7748 299.5719 121.7421 143.4559 759609.7832 22.5367 22.4802 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2700000 WRITING COORDINATES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2700200 -486.996 -74.2789 15.5503 -74.2794 294.357 18.3287 15.5507 18.3283 155.672 GPRESSURE: 2700200 -382.252 -46.4827 -63.585 -47.394 256.934 86.7652 78.3071 9.51243 177.504 PRESSAVG: 2700200 -17.1939 -36.271 -27.6742 -36.271 -10.6945 -27.2801 -27.6742 -27.2801 -13.5088 GPRESSAVG: 2700200 -16.8668 -35.0274 -26.6841 -36.6099 -9.97012 -26.7545 -27.0373 -29.2815 -14.4216 TIMING: 2700200 CPU: 8535.37, 0.00324885/step Wall: 8535.37, 0.00324885/step, 2.07547 hours remaining, 238.613281 MB of memory in use. ENERGY: 2700200 3925.8255 20582.6840 14549.8022 236.7382 -203275.3119 2378.6464 0.0000 0.0000 52185.4678 -109416.1477 299.9106 -161601.6155 -109055.6622 299.2355 -12.3225 17.3955 759807.8451 -13.7991 -13.7529 LDB: ============= START OF LOAD BALANCING ============== 8547.77 LDB: ============== END OF LOAD BALANCING =============== 8547.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.77 LDB: ============= START OF LOAD BALANCING ============== 8548.08 LDB: Largest compute 7078 load 0.034743 is 17.7% of average load 0.195997 LDB: Average compute 0.004391 is 2.2% of average load 0.195997 LDB: TIME 8548.08 LOAD: AVG 0.195997 MAX 0.220334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 8548.09 LOAD: AVG 0.195997 MAX 0.220334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: TIME 8548.09 LOAD: AVG 0.195997 MAX 0.218498 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: ============== END OF LOAD BALANCING =============== 8548.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8548.09 PRESSURE: 2700400 174.413 -197.652 -323.475 -197.652 -308.657 167.82 -323.476 167.819 154.823 GPRESSURE: 2700400 68.5092 -102.492 -258.401 -276.665 -215.972 190.361 -230.039 275.246 259.676 PRESSAVG: 2700400 -59.2105 -23.7872 11.0002 -23.7873 38.0685 20.7844 11.0002 20.7843 26.4859 GPRESSAVG: 2700400 -59.7291 -23.3249 11.8207 -23.0562 36.9315 18.625 8.86241 22.0897 28.3978 TIMING: 2700400 CPU: 8536.01, 0.00320718/step Wall: 8536.01, 0.00320718/step, 2.04868 hours remaining, 238.613281 MB of memory in use. ENERGY: 2700400 4028.4164 20668.6966 14465.2675 244.8950 -203188.8351 2240.0770 0.0000 0.0000 52343.9194 -109197.5633 300.8212 -161541.4827 -108838.3671 299.8239 6.8593 37.4045 760585.9482 1.7813 1.8667 PRESSURE: 2700600 -269.534 -108.639 -73.295 -108.639 -216.706 -182.788 -73.2942 -182.788 73.1087 GPRESSURE: 2700600 -197.681 -218.66 -41.8501 -135.451 -203.626 -196.903 -15.585 -331.809 87.1382 PRESSAVG: 2700600 2.18444 -0.727779 21.1102 -0.727791 8.12158 -34.2772 21.1102 -34.2772 0.752996 GPRESSAVG: 2700600 2.37327 0.160655 21.3629 -0.596301 8.80719 -33.2773 23.4359 -35.401 -0.160905 TIMING: 2700600 CPU: 8536.64, 0.00313577/step Wall: 8536.64, 0.00313577/step, 2.00289 hours remaining, 238.816406 MB of memory in use. ENERGY: 2700600 4000.0230 20537.2510 14505.0053 257.9396 -202944.4261 2208.1510 0.0000 0.0000 52100.9767 -109335.0795 299.4250 -161436.0562 -108966.2548 300.5073 -137.7104 -104.7229 760340.5187 3.6863 3.6732 PRESSURE: 2700800 252.098 -57.8974 145.189 -57.8971 35.4469 -16.01 145.19 -16.0101 175.886 GPRESSURE: 2700800 296.436 -62.9739 110.472 -19.4706 40.1278 -41.5052 190.857 48.2486 199.653 PRESSAVG: 2700800 43.4629 -25.3694 -11.4837 -25.3695 -43.1458 14.2236 -11.4837 14.2236 16.7812 GPRESSAVG: 2700800 43.3631 -27.4624 -14.006 -24.8726 -43.181 13.3126 -13.2259 14.6888 16.8454 TIMING: 2700800 CPU: 8537.27, 0.00314477/step Wall: 8537.27, 0.00314477/step, 2.00846 hours remaining, 238.816406 MB of memory in use. ENERGY: 2700800 4002.3883 20548.5269 14536.8529 262.5646 -203209.9146 2348.5903 0.0000 0.0000 51887.9132 -109623.0784 298.2006 -161510.9916 -109261.2424 299.5575 154.4770 178.7388 757777.3835 5.6995 5.6758 PRESSURE: 2701000 118.377 -109.107 27.3856 -109.107 227.622 210.142 27.386 210.142 -229.721 GPRESSURE: 2701000 100.829 -9.73233 0.643997 -108.52 250.304 153.633 -33.945 312.871 -141.214 PRESSAVG: 2701000 7.45745 -16.9365 33.237 -16.9364 -1.00714 0.339357 33.237 0.33943 -9.25637 GPRESSAVG: 2701000 7.17674 -15.7704 34.0395 -16.4064 -1.15622 0.50652 33.0669 1.62223 -8.34175 TIMING: 2701000 CPU: 8537.89, 0.00314765/step Wall: 8537.89, 0.00314765/step, 2.01012 hours remaining, 238.816406 MB of memory in use. ENERGY: 2701000 3989.7441 20768.1788 14610.3409 252.0100 -203761.0810 2682.5592 0.0000 0.0000 52067.8529 -109390.3951 299.2347 -161458.2480 -109040.7416 299.2160 38.7596 69.9731 757942.1658 -0.9354 -0.7737 PRESSURE: 2701200 -221.829 116.629 174.535 116.627 -329.168 145.185 174.534 145.185 -431.239 GPRESSURE: 2701200 -217.521 8.00203 195.424 -60.9899 -329.683 154.135 152.497 45.4881 -362.815 PRESSAVG: 2701200 31.9627 -17.636 -38.3247 -17.636 17.7269 -14.9449 -38.3248 -14.9449 5.89102 GPRESSAVG: 2701200 31.8084 -16.4162 -38.5734 -19.2478 19.0334 -13.978 -39.2955 -17.9667 4.54631 TIMING: 2701200 CPU: 8538.52, 0.00314602/step Wall: 8538.52, 0.00314602/step, 2.00891 hours remaining, 238.816406 MB of memory in use. ENERGY: 2701200 4030.4378 20495.4407 14464.9114 230.7610 -203322.8789 2438.1547 0.0000 0.0000 52211.0812 -109452.0921 300.0578 -161663.1734 -109085.7686 299.6430 -327.4118 -303.3396 760260.2645 18.5269 18.4627 PRESSURE: 2701400 -129.19 75.1743 -36.3943 75.1746 126.73 -82.8901 -36.3939 -82.8899 -170.947 GPRESSURE: 2701400 -148.501 12.8823 11.9941 34.3165 207.623 -77.6388 -38.3017 -39.7399 -139.266 PRESSAVG: 2701400 -0.0924632 18.6025 -15.0269 18.6024 0.221779 -45.8493 -15.0269 -45.8492 4.57122 GPRESSAVG: 2701400 0.129431 15.2614 -16.2834 18.0373 0.220578 -46.0089 -12.542 -45.7522 4.71653 TIMING: 2701400 CPU: 8539.15, 0.00314156/step Wall: 8539.15, 0.00314156/step, 2.00588 hours remaining, 238.816406 MB of memory in use. ENERGY: 2701400 3913.2122 20515.4701 14512.6300 249.6095 -203250.0840 2245.1411 0.0000 0.0000 52211.7330 -109602.2881 300.0615 -161814.0211 -109239.3189 299.5896 -57.8020 -26.7149 759135.2873 1.5668 1.6888 PRESSURE: 2701600 68.9296 111.436 190.152 111.436 -38.8236 -100.468 190.153 -100.468 -345.775 GPRESSURE: 2701600 106.797 141.298 185.535 33.7308 -93.4657 -86.6651 110.253 16.3895 -263.452 PRESSAVG: 2701600 -28.0361 42.8584 69.4629 42.8585 57.4569 -25.5821 69.4629 -25.5821 -9.91698 GPRESSAVG: 2701600 -27.8163 43.8728 72.1342 44.6441 56.2535 -24.7061 68.8344 -24.6256 -9.18013 TIMING: 2701600 CPU: 8539.78, 0.00314708/step Wall: 8539.78, 0.00314708/step, 2.00923 hours remaining, 238.816406 MB of memory in use. ENERGY: 2701600 3968.3015 20689.0513 14494.4469 258.9078 -203256.5723 2401.6268 0.0000 0.0000 52014.4859 -109429.7521 298.9280 -161444.2380 -109069.0919 299.3009 -105.2229 -83.3735 760650.8433 6.5013 6.4190 PRESSURE: 2701800 46.6334 54.3817 -388.794 54.3823 57.9846 44.0225 -388.793 44.0222 138.404 GPRESSURE: 2701800 158.071 -18.9425 -395.981 4.45291 73.8005 -65.3237 -450.823 74.7771 86.907 PRESSAVG: 2701800 -60.2655 14.3822 -45.5694 14.3822 53.0355 17.9466 -45.5693 17.9466 -18.9704 GPRESSAVG: 2701800 -60.0404 14.1611 -47.4165 12.8969 53.4652 16.2683 -46.5369 18.546 -20.1064 TIMING: 2701800 CPU: 8540.41, 0.003138/step Wall: 8540.41, 0.003138/step, 2.00327 hours remaining, 238.816406 MB of memory in use. ENERGY: 2701800 4035.2235 20585.7780 14472.7516 242.5239 -203446.3678 2659.7614 0.0000 0.0000 52038.9000 -109411.4294 299.0683 -161450.3293 -109050.1498 299.8398 81.0072 106.2596 758606.2389 -8.7335 -8.8939 PRESSURE: 2702000 -344.989 -160.026 65.6917 -160.026 -312.585 17.6737 65.6923 17.6745 167.552 GPRESSURE: 2702000 -262.136 -69.5379 46.3003 -173.036 -335.014 15.7334 83.4675 87.3525 219.453 PRESSAVG: 2702000 -9.53183 -14.4509 -61.8845 -14.4509 32.9076 20.7678 -61.8845 20.7678 18.5864 GPRESSAVG: 2702000 -10.9628 -13.3682 -62.9616 -14.2112 32.9081 19.7767 -62.6294 19.2419 19.4186 TIMING: 2702000 CPU: 8541.04, 0.00315163/step Wall: 8541.04, 0.00315163/step, 2.01179 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2702000 3996.4592 20489.3664 14472.2339 243.2440 -203216.5545 2310.1495 0.0000 0.0000 51976.8793 -109728.2224 298.7118 -161705.1016 -109363.4109 299.1248 -163.3405 -125.8992 761592.7147 13.9874 13.7880 PRESSURE: 2702200 -285.668 -229.609 31.3489 -229.609 -105.953 32.0383 31.3483 32.0383 165.836 GPRESSURE: 2702200 -232.338 -103.88 48.8575 -170.851 -80.4042 4.58179 71.9116 124.74 175.483 PRESSAVG: 2702200 -0.640325 8.43982 30.5098 8.43977 41.9157 45.2902 30.5097 45.2902 10.2764 GPRESSAVG: 2702200 0.858064 10.2084 32.6017 10.2449 41.0125 46.8758 31.0302 45.3462 9.07688 TIMING: 2702200 CPU: 8541.67, 0.00316257/step Wall: 8541.67, 0.00316257/step, 2.0186 hours remaining, 238.816406 MB of memory in use. ENERGY: 2702200 3977.0922 20775.2108 14474.4624 244.8404 -203421.5886 2513.2641 0.0000 0.0000 52080.5304 -109356.1883 299.3075 -161436.7187 -108990.0661 299.1831 -75.2615 -45.7530 760163.9896 17.1839 16.9825 PRESSURE: 2702400 305.116 -7.77685 203.562 -7.77685 -165.892 62.6555 203.562 62.6562 345.14 GPRESSURE: 2702400 268.956 -52.2274 140.794 -177.501 -65.1719 120.691 30.9221 88.5988 385.111 PRESSAVG: 2702400 -12.3997 49.58 15.2664 49.58 10.1427 -13.9197 15.2664 -13.9196 12.1783 GPRESSAVG: 2702400 -13.0947 46.5613 13.2794 47.331 10.7196 -12.7862 16.1497 -14.6171 12.2072 TIMING: 2702400 CPU: 8542.3, 0.00314208/step Wall: 8542.3, 0.00314208/step, 2.00535 hours remaining, 238.816406 MB of memory in use. ENERGY: 2702400 3929.3728 20782.6448 14443.0292 247.6734 -203461.4771 2728.1822 0.0000 0.0000 52065.1271 -109265.4475 299.2190 -161330.5747 -108907.4705 299.5824 161.4545 196.2986 760309.1422 3.3071 3.2774 PRESSURE: 2702600 3.52094 -18.3053 -318.583 -18.3057 105.727 25.6802 -318.584 25.6813 -400.922 GPRESSURE: 2702600 77.2648 -55.6135 -303.473 8.62862 28.8762 -58.1721 -318.949 -102.868 -319.936 PRESSAVG: 2702600 32.5656 22.7432 -47.2892 22.7433 -15.3031 -70.7544 -47.2892 -70.7545 -41.6207 GPRESSAVG: 2702600 32.952 24.4459 -45.5809 23.4318 -16.104 -72.086 -47.839 -72.2516 -41.243 TIMING: 2702600 CPU: 8542.93, 0.00315906/step Wall: 8542.93, 0.00315906/step, 2.01601 hours remaining, 238.816406 MB of memory in use. ENERGY: 2702600 4029.9510 20754.0156 14478.7639 264.9920 -203306.1793 2229.9018 0.0000 0.0000 52183.2565 -109365.2986 299.8979 -161548.5551 -109000.9766 299.9814 -97.2245 -71.2649 760913.8863 -8.1194 -8.1316 PRESSURE: 2702800 107.718 -32.1981 -75.6815 -32.1984 -116.412 -225.418 -75.682 -225.418 363.911 GPRESSURE: 2702800 53.3517 78.602 -131.96 -59.979 4.2635 -121.218 -37.2601 -187.517 379.936 PRESSAVG: 2702800 48.7139 3.90206 12.2092 3.90203 -58.4338 -64.3789 12.2092 -64.379 7.30631 GPRESSAVG: 2702800 47.2819 2.8621 12.7431 4.97225 -57.3943 -64.0862 12.1986 -61.618 7.91367 TIMING: 2702800 CPU: 8543.56, 0.00315642/step Wall: 8543.56, 0.00315642/step, 2.01415 hours remaining, 238.816406 MB of memory in use. ENERGY: 2702800 4008.2966 20580.0264 14521.9288 244.4367 -203461.2023 2413.9563 0.0000 0.0000 52152.2161 -109540.3414 299.7195 -161692.5575 -109175.6865 299.6438 118.4058 145.8505 758840.6287 -0.8045 -0.7329 PRESSURE: 2703000 -41.4125 -0.83446 45.6067 -0.834562 68.116 -94.1271 45.6072 -94.1275 -51.3052 GPRESSURE: 2703000 -20.1781 108.106 -64.6486 142.248 101.448 -98.8425 -2.4207 -161.082 -17.4468 PRESSAVG: 2703000 32.4225 -7.56509 -4.55478 -7.56509 -48.9465 11.0582 -4.55481 11.0582 -4.63855 GPRESSAVG: 2703000 33.7539 -6.09346 -7.60686 -8.14958 -50.2197 11.7859 -1.73396 10.119 -4.9535 TIMING: 2703000 CPU: 8544.19, 0.00315073/step Wall: 8544.19, 0.00315073/step, 2.01034 hours remaining, 238.816406 MB of memory in use. ENERGY: 2703000 3985.6369 20686.1136 14581.5816 231.1987 -203571.2720 2462.0988 0.0000 0.0000 52227.5666 -109397.0758 300.1525 -161624.6424 -109038.7374 299.5571 -8.2006 21.2744 760542.5906 -7.0542 -7.1397 PRESSURE: 2703200 -304.14 135.171 -346.293 135.171 -130.093 -45.9753 -346.293 -45.9761 -169.182 GPRESSURE: 2703200 -252.052 144.961 -378.242 32.1502 -123.853 2.16963 -312.346 -50.9562 -146.735 PRESSAVG: 2703200 -8.32474 -14.3903 10.6566 -14.3904 26.9633 15.0106 10.6566 15.0107 14.244 GPRESSAVG: 2703200 -8.19308 -14.4562 12.8329 -14.8671 27.2593 14.2347 8.32332 15.8246 14.1823 TIMING: 2703200 CPU: 8544.83, 0.00317127/step Wall: 8544.83, 0.00317127/step, 2.02327 hours remaining, 238.816406 MB of memory in use. ENERGY: 2703200 4003.3277 20379.6717 14492.7010 248.2781 -202944.7722 2231.0887 0.0000 0.0000 52174.0831 -109415.6219 299.8452 -161589.7050 -109042.1152 299.7809 -201.1383 -174.2131 762322.4857 10.9609 11.0828 PRESSURE: 2703400 -70.1762 -143.806 3.17215 -143.808 84.3234 -128.39 3.173 -128.39 -82.4041 GPRESSURE: 2703400 50.4949 -213.69 -26.3203 -20.9743 96.3267 -117.902 26.4883 18.5724 -108.637 PRESSAVG: 2703400 -1.9624 -7.36715 -45.1929 -7.36712 13.9808 1.043 -45.1928 1.04283 18.02 GPRESSAVG: 2703400 -1.90562 -7.86898 -45.4478 -7.61918 15.6417 0.972437 -43.0713 0.54451 16.4734 TIMING: 2703400 CPU: 8545.46, 0.00315783/step Wall: 8545.46, 0.00315783/step, 2.01452 hours remaining, 238.816406 MB of memory in use. ENERGY: 2703400 3966.4016 20474.1746 14490.4356 242.5274 -203484.8378 2673.6005 0.0000 0.0000 52066.8312 -109570.8670 299.2288 -161637.6982 -109207.8998 299.2247 -22.7523 12.7284 760059.0079 10.0128 10.0698 PRESSURE: 2703600 -80.6498 130.967 -93.8583 130.967 -345.561 -2.98725 -93.8587 -2.98704 187.17 GPRESSURE: 2703600 -79.9247 140.241 -78.7137 26.8131 -290.348 96.8475 -109.84 -101.451 215.235 PRESSAVG: 2703600 37.9115 -24.3811 -48.5016 -24.3811 -9.85162 33.0278 -48.5015 33.0278 3.73633 GPRESSAVG: 2703600 36.2239 -25.833 -46.9545 -21.8949 -10.1736 33.346 -49.7381 32.8849 5.13927 TIMING: 2703600 CPU: 8546.09, 0.00315488/step Wall: 8546.09, 0.00315488/step, 2.01246 hours remaining, 238.816406 MB of memory in use. ENERGY: 2703600 4021.3232 20334.7337 14574.6794 223.7918 -203293.8321 2552.9399 0.0000 0.0000 52206.4624 -109379.9018 300.0313 -161586.3642 -109011.4184 299.5324 -79.6801 -51.6792 759925.0801 10.5987 10.3965 PRESSURE: 2703800 -264.119 89.9551 121.556 89.9557 59.535 63.4397 121.558 63.4394 136.534 GPRESSURE: 2703800 -189.803 172.511 149.956 30.414 49.6916 94.82 57.8573 64.4379 170.667 PRESSAVG: 2703800 46.3345 7.74622 5.90293 7.74625 -5.61521 55.9639 5.90298 55.9639 -5.67627 GPRESSAVG: 2703800 46.1137 11.2443 4.18964 4.64354 -5.24905 57.0838 6.55413 56.1861 -5.47241 TIMING: 2703800 CPU: 8546.72, 0.00315181/step Wall: 8546.72, 0.00315181/step, 2.01033 hours remaining, 238.816406 MB of memory in use. ENERGY: 2703800 3982.2983 20544.7463 14542.8705 246.7858 -203309.6868 2425.7413 0.0000 0.0000 52246.8487 -109320.3961 300.2634 -161567.2447 -108954.2897 299.9123 -22.6831 10.1851 760639.6011 11.6810 11.7974 PRESSURE: 2704000 -77.575 -19.6897 -79.2386 -19.6902 0.508303 177.516 -79.2376 177.518 -2.53791 GPRESSURE: 2704000 -3.70947 -29.3133 -152.187 -108.187 35.3058 214.348 -80.2421 251.95 -31.7947 PRESSAVG: 2704000 6.94153 -18.2939 20.7569 -18.2939 -2.14537 13.9447 20.7569 13.9447 -12.7141 GPRESSAVG: 2704000 8.38393 -21.6627 21.4483 -15.2436 -3.57258 12.1766 18.7049 16.2996 -13.0084 TIMING: 2704000 CPU: 8547.35, 0.00314958/step Wall: 8547.35, 0.00314958/step, 2.00873 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2704000 3986.1900 20403.7004 14494.0839 245.2847 -202562.7034 1942.5252 0.0000 0.0000 52032.9303 -109457.9890 299.0340 -161490.9193 -109094.1523 299.4437 -26.5349 -0.0661 761707.3024 -2.6393 -2.7324 PRESSURE: 2704200 71.3881 -30.4643 -54.2601 -30.4648 -64.2053 146.662 -54.2593 146.663 -196.475 GPRESSURE: 2704200 160.987 -17.3797 -114.214 -13.3477 -111.711 154.227 -59.7695 115.125 -158.587 PRESSAVG: 2704200 42.854 -47.9458 -48.1806 -47.9458 -41.2031 5.24237 -48.1806 5.24232 -4.5293 GPRESSAVG: 2704200 42.6503 -45.0542 -47.9613 -49.8595 -40.321 5.60696 -46.1874 5.16124 -5.04864 TIMING: 2704200 CPU: 8547.98, 0.0031681/step Wall: 8547.98, 0.0031681/step, 2.02037 hours remaining, 238.816406 MB of memory in use. ENERGY: 2704200 3977.6187 20429.3304 14464.0925 248.8324 -203150.6190 2482.9264 0.0000 0.0000 51858.7596 -109689.0591 298.0330 -161547.8186 -109321.5505 298.7537 -63.0974 -36.4369 759358.3391 -0.9595 -0.9064 LDB: ============= START OF LOAD BALANCING ============== 8560.38 LDB: ============== END OF LOAD BALANCING =============== 8560.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8560.39 LDB: ============= START OF LOAD BALANCING ============== 8560.7 LDB: Largest compute 7078 load 0.033689 is 17.2% of average load 0.196126 LDB: Average compute 0.004362 is 2.2% of average load 0.196126 LDB: TIME 8560.7 LOAD: AVG 0.196126 MAX 0.216727 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.738 MB LDB: TIME 8560.71 LOAD: AVG 0.196126 MAX 0.216727 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.941 MB LDB: TIME 8560.71 LOAD: AVG 0.196126 MAX 0.216727 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.941 MB LDB: ============== END OF LOAD BALANCING =============== 8560.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8560.71 PRESSURE: 2704400 197.769 -150.809 -17.9075 -150.81 -82.3887 -125.906 -17.9079 -125.906 -198.02 GPRESSURE: 2704400 226.407 -64.1539 -77.9627 -185.82 -89.9481 -66.221 -79.7084 -115.238 -147.575 PRESSAVG: 2704400 52.1934 -33.3407 37.4171 -33.3407 -47.6233 -7.72546 37.4171 -7.72545 6.55791 GPRESSAVG: 2704400 51.6899 -35.3122 37.8471 -31.4049 -48.18 -6.96695 38.6295 -8.6569 7.61799 TIMING: 2704400 CPU: 8548.63, 0.00322559/step Wall: 8548.63, 0.00322559/step, 2.05685 hours remaining, 239.382812 MB of memory in use. ENERGY: 2704400 3892.2601 20316.1433 14481.8908 231.1114 -203306.0368 2654.0305 0.0000 0.0000 52079.7133 -109650.8874 299.3028 -161730.6007 -109281.8879 298.9083 -27.5465 -3.7053 760558.7216 3.7094 3.7093 PRESSURE: 2704600 -2.78491 27.4458 271.562 27.4457 77.7644 136.52 271.561 136.52 -469.443 GPRESSURE: 2704600 63.1989 -139.321 216.265 -48.5971 39.148 141.53 163.871 30.5681 -386.585 PRESSAVG: 2704600 101.959 -26.4756 11.6534 -26.4756 -47.5296 -75.2997 11.6534 -75.2996 -14.1592 GPRESSAVG: 2704600 102.275 -27.5175 10.3508 -27.1523 -46.4688 -75.3291 7.82852 -78.5239 -15.4885 TIMING: 2704600 CPU: 8549.26, 0.00315533/step Wall: 8549.26, 0.00315533/step, 2.01187 hours remaining, 239.382812 MB of memory in use. ENERGY: 2704600 3957.4188 20371.8952 14507.9524 254.7966 -203520.6450 2451.0582 0.0000 0.0000 52307.4889 -109670.0350 300.6119 -161977.5239 -109312.3474 299.0211 -131.4879 -94.7459 759227.6665 13.4234 13.4391 PRESSURE: 2704800 158.982 -126.635 -82.6768 -126.635 -130.656 45.2107 -82.6764 45.2101 -141.793 GPRESSURE: 2704800 190.916 -116.165 -76.839 -190.84 -117.716 170.294 -48.8693 8.1683 -107.456 PRESSAVG: 2704800 36.2355 -16.9881 23.8421 -16.9881 -86.1982 3.29213 23.8421 3.29216 -11.7541 GPRESSAVG: 2704800 35.722 -15.8203 23.3603 -16.4755 -86.378 3.49691 26.4729 4.49295 -11.1761 TIMING: 2704800 CPU: 8549.89, 0.00316362/step Wall: 8549.89, 0.00316362/step, 2.01698 hours remaining, 239.382812 MB of memory in use. ENERGY: 2704800 3935.1203 20504.9749 14437.1944 242.5184 -203563.1470 2572.9514 0.0000 0.0000 52128.1124 -109742.2752 299.5810 -161870.3876 -109367.1776 298.9208 -37.8223 -11.4185 759240.1854 -20.5723 -20.6107 PRESSURE: 2705000 158.24 31.4818 -5.57281 31.4816 127.229 -68.1174 -5.57356 -68.1188 145.81 GPRESSURE: 2705000 125.965 51.3611 78.3537 0.125375 239.785 -64.3275 -63.3393 45.2901 145.329 PRESSAVG: 2705000 37.8241 -13.9022 68.2699 -13.9021 -50.231 -44.0314 68.2699 -44.0313 -1.40096 GPRESSAVG: 2705000 39.6405 -11.5525 70.6771 -14.3251 -51.709 -44.5398 65.282 -41.5591 -1.64644 TIMING: 2705000 CPU: 8550.53, 0.0031613/step Wall: 8550.53, 0.0031613/step, 2.01533 hours remaining, 239.382812 MB of memory in use. ENERGY: 2705000 3963.2931 20469.5002 14484.1599 267.8674 -203088.6024 2199.2307 0.0000 0.0000 51951.4894 -109753.0617 298.5659 -161704.5511 -109404.1683 298.5501 143.7594 170.3598 759671.1443 -4.6026 -4.5716 PRESSURE: 2705200 -305.137 151.287 87.9809 151.286 0.679776 -284.241 87.9804 -284.241 187.191 GPRESSURE: 2705200 -219.125 220.857 156.506 150.147 -16.1755 -238.139 3.32966 -215.119 222 PRESSAVG: 2705200 46.8818 -54.2824 68.2816 -54.2824 -71.2339 -34.7332 68.2816 -34.7331 -17.2875 GPRESSAVG: 2705200 45.0064 -56.355 67.4206 -55.2875 -70.4062 -35.2359 66.7283 -36.347 -15.9212 TIMING: 2705200 CPU: 8551.16, 0.0031518/step Wall: 8551.16, 0.0031518/step, 2.0091 hours remaining, 239.382812 MB of memory in use. ENERGY: 2705200 3954.8174 20490.6762 14521.4963 252.1815 -203412.2352 2477.4206 0.0000 0.0000 51969.8820 -109745.7612 298.6716 -161715.6432 -109388.2431 298.4593 -39.0888 -4.4335 760054.4149 -13.8799 -13.7736 PRESSURE: 2705400 28.913 -240.432 -72.8964 -240.431 -226.278 108.394 -72.8965 108.394 -365.352 GPRESSURE: 2705400 109.123 -161.418 -59.4674 -317.554 -180.942 140.975 13.2209 160.277 -381.332 PRESSAVG: 2705400 26.1856 -10.6875 -4.12154 -10.6874 -46.1429 -37.1598 -4.12158 -37.1598 -17.4871 GPRESSAVG: 2705400 27.0234 -10.0971 -6.17482 -10.2476 -45.52 -37.1996 -0.588555 -36.174 -19.1914 TIMING: 2705400 CPU: 8551.79, 0.00316231/step Wall: 8551.79, 0.00316231/step, 2.01562 hours remaining, 239.382812 MB of memory in use. ENERGY: 2705400 3985.3991 20430.8688 14463.5934 275.1706 -202941.5035 2043.8884 0.0000 0.0000 51913.2212 -109829.3620 298.3460 -161742.5832 -109476.3817 298.6650 -187.5725 -151.0502 759723.5062 -12.4814 -12.5627 PRESSURE: 2705600 -49.6643 33.1217 222.899 33.1208 28.8057 227.784 222.899 227.784 145.09 GPRESSURE: 2705600 5.9791 -73.2244 354.218 -55.7674 52.4955 205.725 134.264 301.135 142.682 PRESSAVG: 2705600 32.2624 -33.5005 27.9805 -33.5005 -39.6535 -5.7376 27.9805 -5.73762 -25.1628 GPRESSAVG: 2705600 31.9725 -34.4561 29.758 -34.2578 -40.3684 -5.01618 26.6762 -5.79475 -23.9972 TIMING: 2705600 CPU: 8552.42, 0.0031607/step Wall: 8552.42, 0.0031607/step, 2.01442 hours remaining, 239.382812 MB of memory in use. ENERGY: 2705600 3922.7045 20398.8845 14558.5321 267.1518 -203582.5664 2503.4104 0.0000 0.0000 51754.6172 -110177.2660 297.4345 -161931.8832 -109818.1395 297.7767 41.4106 67.0522 759608.3421 -10.8513 -10.7977 PRESSURE: 2705800 405.195 -246.746 153.722 -246.746 59.7486 56.4433 153.723 56.4437 189.107 GPRESSURE: 2705800 476.206 -370.624 167.169 -316.453 141.484 57.2529 131.576 46.1329 144.136 PRESSAVG: 2705800 90.8569 -68.2346 112.12 -68.2347 -13.8758 -6.91765 112.12 -6.91769 2.31458 GPRESSAVG: 2705800 91.1589 -67.1371 111.177 -67.9279 -13.042 -7.44093 113.701 -8.38009 1.17492 TIMING: 2705800 CPU: 8553.05, 0.00316312/step Wall: 8553.05, 0.00316312/step, 2.01579 hours remaining, 239.382812 MB of memory in use. ENERGY: 2705800 3945.2850 20437.9999 14440.6719 243.2493 -203779.9012 2666.7827 0.0000 0.0000 51973.4359 -110072.4764 298.6921 -162045.9124 -109706.7355 297.7945 218.0171 253.9420 757718.0037 26.4319 26.4306 PRESSURE: 2706000 -328.642 -19.9743 35.0582 -19.9745 -13.6041 161.544 35.058 161.545 -169.227 GPRESSURE: 2706000 -286.636 -41.3025 115.994 -123.973 0.776596 -11.2675 20.3035 232.83 -114.087 PRESSAVG: 2706000 -30.4304 -79.7513 24.9095 -79.7512 -20.2396 -39.3808 24.9095 -39.3808 -14.2445 GPRESSAVG: 2706000 -31.9897 -79.1368 25.8584 -78.9251 -19.8376 -37.9045 23.2152 -39.4987 -12.9883 TIMING: 2706000 CPU: 8553.68, 0.00314545/step Wall: 8553.68, 0.00314545/step, 2.00435 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2706000 3980.1527 20462.6563 14440.0863 240.1749 -203567.8786 2419.4158 0.0000 0.0000 51922.4093 -110102.9833 298.3988 -162025.3926 -109737.6331 298.2279 -170.4911 -133.3154 759744.7889 -21.6382 -21.6052 PRESSURE: 2706200 103.234 -43.1034 185.412 -43.1038 120.519 201.146 185.412 201.147 56.4563 GPRESSURE: 2706200 123.765 3.77976 184.239 31.1223 96.7818 190.578 157.497 238.195 130.62 PRESSAVG: 2706200 -3.45862 -11.2239 24.6919 -11.2238 -5.98882 -29.7524 24.6919 -29.7523 -8.0162 GPRESSAVG: 2706200 -2.65271 -11.5201 22.6455 -11.9119 -6.36202 -31.6927 26.1497 -26.7229 -8.65298 TIMING: 2706200 CPU: 8554.32, 0.00318425/step Wall: 8554.32, 0.00318425/step, 2.0289 hours remaining, 239.382812 MB of memory in use. ENERGY: 2706200 3932.0441 20439.3203 14484.7142 257.3781 -203296.2058 2446.1459 0.0000 0.0000 51690.8749 -110045.7282 297.0682 -161736.6031 -109685.8530 298.1890 93.4033 117.0556 761129.9649 -5.8212 -5.8892 PRESSURE: 2706400 194.14 -38.4836 -150.342 -38.4836 215.626 -215.254 -150.342 -215.253 170.19 GPRESSURE: 2706400 215.505 -198.248 -164.059 -67.1758 236.537 -155.841 -83.7452 -265.073 207.326 PRESSAVG: 2706400 8.84062 -71.6085 25.8495 -71.6085 8.49266 -47.526 25.8494 -47.5261 -22.3161 GPRESSAVG: 2706400 9.65932 -72.1362 26.6293 -71.8412 6.44602 -45.3802 25.5915 -50.9103 -21.0179 TIMING: 2706400 CPU: 8554.95, 0.00316515/step Wall: 8554.95, 0.00316515/step, 2.01655 hours remaining, 239.382812 MB of memory in use. ENERGY: 2706400 3965.1314 20567.4096 14518.5675 254.5515 -203794.7746 2608.1340 0.0000 0.0000 51777.0409 -110103.9398 297.5634 -161880.9807 -109740.5316 297.9438 193.3188 219.7894 759405.5073 -1.6609 -1.6375 PRESSURE: 2706600 142.509 -149.317 -67.271 -149.316 253.123 333.448 -67.2706 333.449 162.362 GPRESSURE: 2706600 160.491 -178.974 17.023 -88.7079 252.932 180.042 -67.5413 386.758 237.46 PRESSAVG: 2706600 33.0776 -9.85291 -8.47577 -9.85298 -13.2357 42.6442 -8.47567 42.6442 3.30276 GPRESSAVG: 2706600 32.4346 -11.2993 -7.35819 -7.86375 -11.2154 40.381 -8.1969 45.7119 2.01632 TIMING: 2706600 CPU: 8555.59, 0.00317094/step Wall: 8555.59, 0.00317095/step, 2.02007 hours remaining, 239.382812 MB of memory in use. ENERGY: 2706600 3939.4339 20489.5751 14495.4247 265.8651 -203713.6054 2583.1852 0.0000 0.0000 51776.2016 -110163.9198 297.5585 -161940.1214 -109806.4432 297.9826 185.9978 216.9613 759123.7547 7.7149 7.7452 PRESSURE: 2706800 247.85 -195.67 -293.252 -195.67 263.373 -2.07716 -293.252 -2.07831 33.4258 GPRESSURE: 2706800 266.608 -218.561 -381.731 -44.2367 282.365 -17.5625 -261.27 28.2307 79.6327 PRESSAVG: 2706800 80.1593 -66.8017 -6.77562 -66.8018 -67.2311 37.7308 -6.77566 37.7307 15.986 GPRESSAVG: 2706800 81.1953 -66.4403 -6.66007 -66.2982 -67.4097 38.1047 -7.46261 36.0078 16.0243 TIMING: 2706800 CPU: 8556.22, 0.00316174/step Wall: 8556.22, 0.00316174/step, 2.01403 hours remaining, 239.382812 MB of memory in use. ENERGY: 2706800 3959.0819 20489.8659 14490.5416 250.2005 -203728.3888 2670.2888 0.0000 0.0000 51726.9051 -110141.5051 297.2752 -161868.4102 -109795.0466 297.4454 181.5496 209.5353 759324.5676 9.6381 9.9366 PRESSURE: 2707000 -32.0571 134.807 68.2692 134.807 -215.97 179.141 68.2694 179.141 -189.741 GPRESSURE: 2707000 25.2314 184.085 77.5612 223.53 -310.108 273.809 186.834 167.489 -70.1797 PRESSAVG: 2707000 39.6736 -11.5928 -20.9923 -11.5928 16.906 43.1398 -20.9922 43.1398 -24.279 GPRESSAVG: 2707000 40.3239 -10.4482 -20.9376 -11.7955 15.9135 43.4441 -20.3473 42.8947 -24.3796 TIMING: 2707000 CPU: 8556.85, 0.00315071/step Wall: 8556.85, 0.00315071/step, 2.00683 hours remaining, 239.382812 MB of memory in use. ENERGY: 2707000 4055.3415 20350.8465 14495.3559 235.0360 -203222.4800 2323.3179 0.0000 0.0000 51623.9071 -110138.6751 296.6833 -161762.5821 -109783.2613 297.8171 -145.9228 -118.3521 759800.5317 10.7669 10.6193 PRESSURE: 2707200 226.086 13.0141 -10.5605 13.0143 296.993 -79.3549 -10.5605 -79.3546 -54.8685 GPRESSURE: 2707200 261.707 -97.6535 -86.7047 15.0008 351.488 -15.6719 122.49 -117.16 -24.3676 PRESSAVG: 2707200 55.3171 -37.8958 8.00787 -37.8958 10.45 -22.021 8.00783 -22.021 26.9426 GPRESSAVG: 2707200 54.7368 -40.8768 9.15195 -38.6279 10.8158 -22.4457 8.88281 -21.1594 27.1069 TIMING: 2707200 CPU: 8557.48, 0.00313831/step Wall: 8557.48, 0.00313831/step, 1.99876 hours remaining, 239.382812 MB of memory in use. ENERGY: 2707200 4013.8044 20380.5256 14566.6909 271.1911 -203895.2955 2742.2978 0.0000 0.0000 51644.6205 -110276.1651 296.8023 -161920.7856 -109917.8313 297.8290 156.0703 196.2757 759670.6671 30.9032 30.8865 PRESSURE: 2707400 -143.532 -1.58384 36.5289 -1.58491 -7.66145 -159.825 36.5278 -159.824 -32.0944 GPRESSURE: 2707400 -92.4749 101.081 13.691 -22.8614 16.2431 -231.605 29.7962 -157.221 -4.50687 PRESSAVG: 2707400 54.2006 -8.49171 18.817 -8.49174 -58.1244 -49.6629 18.817 -49.6629 14.2376 GPRESSAVG: 2707400 54.7683 -5.99631 18.5329 -10.5117 -58.1762 -48.4584 19.0879 -50.4853 14.2107 TIMING: 2707400 CPU: 8558.11, 0.0031649/step Wall: 8558.11, 0.0031649/step, 2.01552 hours remaining, 239.382812 MB of memory in use. ENERGY: 2707400 3985.5428 20367.9547 14451.4297 254.3274 -203574.4942 2513.3574 0.0000 0.0000 51633.1886 -110368.6937 296.7366 -162001.8823 -110001.6444 297.2406 -61.0961 -26.9129 759908.5254 3.4379 3.6009 PRESSURE: 2707600 -58.7283 -168.246 -24.336 -168.245 181.157 170.79 -24.3352 170.79 -24.3073 GPRESSURE: 2707600 -32.9692 -62.2983 -88.3397 -77.4038 177.816 109.832 -105.871 265.145 17.6251 PRESSAVG: 2707600 -21.8291 -59.1774 -17.7806 -59.1774 27.716 -18.1606 -17.7806 -18.1606 16.0115 GPRESSAVG: 2707600 -22.23 -58.8194 -18.7208 -58.372 28.7775 -18.492 -18.2769 -17.2902 15.1947 TIMING: 2707600 CPU: 8558.74, 0.00316452/step Wall: 8558.74, 0.00316452/step, 2.0151 hours remaining, 239.382812 MB of memory in use. ENERGY: 2707600 3908.5599 20440.7209 14444.7467 249.6085 -203644.9576 2520.2208 0.0000 0.0000 51603.9202 -110477.1807 296.5684 -162081.1009 -110127.9207 296.8165 32.7071 54.1572 760485.0228 7.2995 7.2474 PRESSURE: 2707800 186.968 22.2236 -67.6399 22.2234 298.985 -47.0526 -67.6406 -47.0526 39.0886 GPRESSURE: 2707800 266.468 76.3963 -129.086 -103.175 263.877 -72.8904 -72.5028 -81.665 71.3133 PRESSAVG: 2707800 1.25122 -38.4501 -4.85488 -38.4501 -7.41185 -2.94936 -4.85487 -2.94943 -11.1766 GPRESSAVG: 2707800 1.87496 -38.2652 -4.66056 -37.6663 -8.91169 -2.41852 -7.39506 -4.33984 -10.4348 TIMING: 2707800 CPU: 8559.37, 0.00315446/step Wall: 8559.37, 0.00315446/step, 2.00852 hours remaining, 239.382812 MB of memory in use. ENERGY: 2707800 3906.8409 20424.7516 14458.0437 241.6897 -204496.6929 2974.0882 0.0000 0.0000 51908.6134 -110582.6655 298.3195 -162491.2789 -110229.1613 296.6172 175.0141 200.5528 758788.0688 -5.7791 -5.8238 PRESSURE: 2708000 100.965 82.9612 34.1847 82.9619 1.01889 -57.238 34.1847 -57.2388 313.167 GPRESSURE: 2708000 120.949 134.569 29.9372 103.007 93.855 -132.811 18.3128 108.612 269.148 PRESSAVG: 2708000 32.6177 -49.2642 -32.0223 -49.2642 -3.61863 13.9329 -32.0222 13.9329 8.48773 GPRESSAVG: 2708000 31.8001 -51.1587 -32.8892 -49.0014 -1.79683 13.4578 -29.6464 14.5615 7.69647 TIMING: 2708000 CPU: 8560.01, 0.00316535/step Wall: 8560.01, 0.00316535/step, 2.01527 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2708000 3911.5322 20463.0287 14437.7148 207.9197 -203965.2857 2688.0039 0.0000 0.0000 51699.7931 -110557.2932 297.1194 -162257.0863 -110197.8543 296.6787 138.3836 161.3172 760342.9837 12.4956 12.5666 PRESSURE: 2708200 222.977 147.883 -251.376 147.882 159.61 -22.9463 -251.376 -22.9455 201.153 GPRESSURE: 2708200 291.32 59.7441 -180.615 249.574 217.98 -11.9395 -187.604 56.914 168.522 PRESSAVG: 2708200 56.5696 14.6805 -20.8605 14.6805 -25.9976 24.0024 -20.8605 24.0024 -34.0871 GPRESSAVG: 2708200 56.2549 15.5938 -19.6894 13.5344 -27.1171 23.9776 -22.2712 26.446 -32.8778 TIMING: 2708200 CPU: 8560.64, 0.00315476/step Wall: 8560.64, 0.00315476/step, 2.00836 hours remaining, 239.382812 MB of memory in use. ENERGY: 2708200 3964.8349 20452.0901 14437.6861 227.5479 -204187.6363 2980.0172 0.0000 0.0000 51806.7210 -110318.7392 297.7339 -162125.4601 -109966.3731 297.1344 194.5799 225.9407 760888.2484 -1.1717 -1.2467 LDB: ============= START OF LOAD BALANCING ============== 8573.04 LDB: ============== END OF LOAD BALANCING =============== 8573.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8573.04 LDB: ============= START OF LOAD BALANCING ============== 8573.36 LDB: Largest compute 7078 load 0.035435 is 18.1% of average load 0.196113 LDB: Average compute 0.004385 is 2.2% of average load 0.196113 LDB: TIME 8573.36 LOAD: AVG 0.196113 MAX 0.215101 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.984 MB LDB: TIME 8573.36 LOAD: AVG 0.196113 MAX 0.215101 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.055 MB LDB: TIME 8573.36 LOAD: AVG 0.196113 MAX 0.215101 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.055 MB LDB: ============== END OF LOAD BALANCING =============== 8573.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8573.37 PRESSURE: 2708400 342.511 -12.9972 64.6385 -12.9966 139.085 15.4744 64.639 15.4753 -181.466 GPRESSURE: 2708400 459.987 131.755 -42.4074 -18.7238 120.68 13.0602 3.38243 87.788 -206.83 PRESSAVG: 2708400 92.9842 41.7345 19.5907 41.7345 9.95109 10.6029 19.5906 10.6029 9.93449 GPRESSAVG: 2708400 92.3336 42.9178 18.3584 42.4451 9.93956 11.5551 20.6843 9.15803 10.3092 TIMING: 2708400 CPU: 8561.29, 0.00324255/step Wall: 8561.29, 0.00324255/step, 2.06406 hours remaining, 238.609375 MB of memory in use. ENERGY: 2708400 3956.7076 20466.8431 14488.9751 253.8835 -203860.2538 2744.0004 0.0000 0.0000 51706.6824 -110243.1618 297.1590 -161949.8442 -109878.3942 297.8498 100.0435 124.6120 758904.0171 37.6233 37.5274 PRESSURE: 2708600 -61.0213 -48.182 255.35 -48.1821 271.476 194.084 255.35 194.085 223.137 GPRESSURE: 2708600 35.6034 -166.034 194.721 61.3453 224.253 159.825 253.523 159.436 244.928 PRESSAVG: 2708600 11.2543 14.1219 1.71802 14.1219 -4.50335 -18.3531 1.71798 -18.3531 3.81693 GPRESSAVG: 2708600 12.2444 13.335 0.886517 15.6674 -5.29243 -19.1381 2.98909 -19.7117 3.578 TIMING: 2708600 CPU: 8561.92, 0.0031578/step Wall: 8561.92, 0.0031578/step, 2.00994 hours remaining, 238.609375 MB of memory in use. ENERGY: 2708600 3904.8225 20527.1505 14525.5079 227.7825 -203637.2171 2406.4007 0.0000 0.0000 51726.8934 -110318.6597 297.2752 -162045.5531 -109952.8901 297.5052 144.5307 168.2615 759712.5796 3.5226 3.5100 PRESSURE: 2708800 40.7287 -178.841 26.1017 -178.841 -56.9188 -134.376 26.1019 -134.376 -87.3384 GPRESSURE: 2708800 149.289 -256.436 66.9121 -183.206 -77.52 -142.576 40.0082 -107.014 -88.0798 PRESSAVG: 2708800 19.7111 4.68915 -6.61391 4.68915 -11.8622 -18.3737 -6.61395 -18.3738 -5.08688 GPRESSAVG: 2708800 20.4296 4.23165 -7.85317 2.92297 -10.0962 -18.5245 -6.96723 -19.4398 -7.94346 TIMING: 2708800 CPU: 8562.55, 0.00315532/step Wall: 8562.55, 0.00315532/step, 2.00819 hours remaining, 238.609375 MB of memory in use. ENERGY: 2708800 3935.7191 20382.9875 14493.6352 231.4808 -203493.5662 2467.8519 0.0000 0.0000 51724.9877 -110256.9040 297.2642 -161981.8917 -109888.3113 297.2165 -34.5095 -5.4369 760823.6364 0.9207 0.7966 PRESSURE: 2709000 276.732 96.8241 -120.693 96.8247 201.27 -77.2671 -120.693 -77.267 222.193 GPRESSURE: 2709000 236.57 84.477 -121.819 158.86 223.297 -39.8559 -48.0168 -277.422 324.316 PRESSAVG: 2709000 -40.9919 -20.6784 -27.7681 -20.6784 6.34636 28.9156 -27.7681 28.9156 -4.01451 GPRESSAVG: 2709000 -42.0458 -19.5738 -24.6467 -20.8978 5.76317 30.5287 -29.2868 28.2361 -1.99745 TIMING: 2709000 CPU: 8563.18, 0.00314482/step Wall: 8563.18, 0.00314483/step, 2.00133 hours remaining, 238.609375 MB of memory in use. ENERGY: 2709000 3913.6138 20482.6858 14468.4969 252.6289 -203535.4945 2445.4097 0.0000 0.0000 51882.1003 -110090.5592 298.1671 -161972.6595 -109721.3167 298.0574 233.3983 261.3942 758038.5677 -12.8867 -12.7600 PRESSURE: 2709200 -432.133 197.409 282.474 197.408 24.1307 -118.573 282.474 -118.572 -237.531 GPRESSURE: 2709200 -272.292 166.535 339.078 141.407 -33.4582 -82.5112 102.921 -60.0525 -237.877 PRESSAVG: 2709200 43.9432 42.6165 60.472 42.6165 -5.29942 18.6613 60.4719 18.6612 9.49428 GPRESSAVG: 2709200 45.7153 41.8483 59.3958 43.0444 -6.32796 18.2574 60.1696 19.5871 9.09121 TIMING: 2709200 CPU: 8563.81, 0.00315701/step Wall: 8563.81, 0.00315701/step, 2.00891 hours remaining, 238.609375 MB of memory in use. ENERGY: 2709200 3953.4576 20507.9662 14490.0256 232.7867 -203728.1817 2469.0346 0.0000 0.0000 51885.3722 -110189.5389 298.1859 -162074.9111 -109831.9167 298.2035 -215.1780 -181.2093 758650.4494 16.0460 16.1595 PRESSURE: 2709400 396.386 -1.8698 44.8146 -1.86949 178.779 106.166 44.8138 106.166 191.787 GPRESSURE: 2709400 370.532 -146.008 -3.50767 -55.5437 299.894 46.7864 154.247 44.3569 203.716 PRESSAVG: 2709400 -2.55524 -26.3605 25.3735 -26.3604 11.2538 -32.2461 25.3735 -32.2462 8.50821 GPRESSAVG: 2709400 -3.07063 -27.7027 26.6764 -26.6172 10.9836 -33.045 24.7667 -31.5277 9.14586 TIMING: 2709400 CPU: 8564.44, 0.00313365/step Wall: 8564.44, 0.00313365/step, 1.99387 hours remaining, 238.609375 MB of memory in use. ENERGY: 2709400 3868.9794 20525.9843 14415.7335 246.9808 -204131.0448 2753.4588 0.0000 0.0000 52049.4240 -110270.4840 299.1288 -162319.9079 -109909.5196 298.4198 255.6506 291.3809 759148.7355 5.7356 5.6863 PRESSURE: 2709600 -31.5703 100.879 7.46229 100.879 -276.712 -102.108 7.46271 -102.108 -4.1048 GPRESSURE: 2709600 6.74069 140.123 71.3048 80.0533 -174.869 -63.8202 -5.33432 -165.056 -54.8428 PRESSAVG: 2709600 -38.3897 -26.9464 -8.9816 -26.9464 31.2782 13.3019 -8.98165 13.302 25.2396 GPRESSAVG: 2709600 -39.0007 -27.3004 -9.74981 -27.6624 31.6823 13.5482 -9.57544 12.3059 25.3616 TIMING: 2709600 CPU: 8565.06, 0.00314281/step Wall: 8565.06, 0.00314281/step, 1.99953 hours remaining, 238.609375 MB of memory in use. ENERGY: 2709600 3935.6424 20378.2780 14546.9974 236.8970 -203959.5708 2422.0844 0.0000 0.0000 52054.5401 -110385.1316 299.1582 -162439.6717 -110017.5749 298.1734 -104.1289 -74.3238 758714.8765 6.0427 6.0144 PRESSURE: 2709800 -71.1652 95.5091 6.22009 95.5087 -71.7121 123.564 6.22131 123.565 -114.02 GPRESSURE: 2709800 -97.6368 139.559 58.0238 38.716 18.814 87.2087 -30.7597 67.3093 -71.7369 PRESSAVG: 2709800 22.2973 -25.7932 10.8112 -25.7932 -14.5016 -23.2314 10.8111 -23.2314 -2.7601 GPRESSAVG: 2709800 22.3161 -23.0787 8.81055 -24.6393 -14.4299 -22.0888 13.4871 -22.3384 -2.66742 TIMING: 2709800 CPU: 8565.69, 0.00313631/step Wall: 8565.69, 0.00313631/step, 1.99521 hours remaining, 238.609375 MB of memory in use. ENERGY: 2709800 3972.1976 20409.2481 14569.2133 228.0486 -203819.0491 2142.1804 0.0000 0.0000 51837.4609 -110660.7003 297.9106 -162498.1612 -110294.2467 297.6001 -85.6325 -50.1866 758158.5517 1.6785 1.7396 PRESSURE: 2710000 -29.3599 -202.694 18.3809 -202.694 134.621 119.75 18.3814 119.748 153.693 GPRESSURE: 2710000 41.1351 -250.993 23.8986 -137.674 146.801 148.985 -3.24868 -36.0359 180.284 PRESSAVG: 2710000 12.0967 -25.5332 25.7942 -25.5332 -18.2878 1.85923 25.7942 1.85919 17.1356 GPRESSAVG: 2710000 11.168 -25.3825 27.6436 -26.8652 -17.1272 1.27435 24.2658 -0.033495 16.5451 TIMING: 2710000 CPU: 8566.32, 0.00314845/step Wall: 8566.32, 0.00314845/step, 2.00276 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2710000 4030.1313 20374.9601 14489.2290 227.0159 -204258.8029 2777.1078 0.0000 0.0000 51773.4068 -110586.9520 297.5425 -162360.3588 -110226.6457 297.5208 86.3180 122.7400 758127.8343 3.6481 3.5286 PRESSURE: 2710200 40.3138 -49.4818 -90.2946 -49.4814 412.117 -53.9151 -90.2956 -53.9156 -275.088 GPRESSURE: 2710200 142.87 -50.9816 -78.4646 -14.9466 375.71 -87.2768 -47.4835 37.9333 -273.087 PRESSAVG: 2710200 -29.5311 -51.3758 -0.415549 -51.3758 17.2488 46.1456 -0.415517 46.1456 -4.85062 GPRESSAVG: 2710200 -29.007 -52.9189 -0.988817 -49.8928 16.649 46.0721 -0.70065 47.0722 -4.55167 TIMING: 2710200 CPU: 8566.95, 0.00316287/step Wall: 8566.95, 0.00316287/step, 2.01176 hours remaining, 238.609375 MB of memory in use. ENERGY: 2710200 3966.3081 20263.3775 14575.3918 226.7848 -203826.3404 2354.6967 0.0000 0.0000 51984.9539 -110454.8276 298.7582 -162439.7815 -110081.9030 297.4092 59.1143 81.8312 757715.0960 -5.7110 -5.6365 PRESSURE: 2710400 -7.46846 58.806 98.0649 58.806 -180.365 181.419 98.0657 181.419 -381.882 GPRESSURE: 2710400 -1.73857 66.7488 24.3433 64.5157 -129.881 65.7608 197.16 153.192 -386.15 PRESSAVG: 2710400 -13.0577 -67.8953 31.9081 -67.8952 42.4526 38.6694 31.9081 38.6694 3.19002 GPRESSAVG: 2710400 -12.7318 -67.5001 32.8207 -67.0613 41.0662 38.4648 32.0791 40.0171 4.15538 TIMING: 2710400 CPU: 8567.58, 0.00315494/step Wall: 8567.58, 0.00315494/step, 2.00654 hours remaining, 238.609375 MB of memory in use. ENERGY: 2710400 3998.0995 20565.1800 14495.7011 246.8328 -203811.7524 2524.4723 0.0000 0.0000 51509.5530 -110471.9136 296.0261 -161981.4667 -110116.8733 297.5897 -189.9052 -172.5899 760898.7324 10.8616 10.8300 PRESSURE: 2710600 484.687 -41.6083 63.4537 -41.6091 246.903 -78.8776 63.453 -78.8775 -31.261 GPRESSURE: 2710600 515.878 -2.09966 28.1617 -103.332 221.157 -22.0804 104.316 -83.4534 54.8485 PRESSAVG: 2710600 7.83084 -22.439 31.308 -22.4389 -8.9423 40.618 31.3079 40.618 11.8415 GPRESSAVG: 2710600 7.8772 -21.8822 29.9314 -24.1935 -7.77092 41.1494 33.7221 40.3635 11.3903 TIMING: 2710600 CPU: 8568.22, 0.00316806/step Wall: 8568.22, 0.00316806/step, 2.01471 hours remaining, 238.609375 MB of memory in use. ENERGY: 2710600 3902.4857 20297.9378 14487.6818 254.8564 -203942.0672 2662.4861 0.0000 0.0000 51862.6793 -110473.9401 298.0555 -162336.6194 -110109.6529 297.4863 233.4429 263.9611 759255.1575 3.5767 3.8322 PRESSURE: 2710800 -72.6741 -93.6068 140.722 -93.6063 -52.9127 131.742 140.722 131.741 -174.536 GPRESSURE: 2710800 -51.6033 -109.821 41.836 -58.3208 13.4861 145.549 93.0315 13.4995 -190.011 PRESSAVG: 2710800 68.5629 -30.5728 59.5978 -30.5728 -32.8964 7.68811 59.5978 7.68809 -25.0458 GPRESSAVG: 2710800 68.0534 -33.5015 59.328 -28.6243 -31.8206 4.78648 57.5089 7.67125 -25.7021 TIMING: 2710800 CPU: 8568.86, 0.00318455/step Wall: 8568.86, 0.00318455/step, 2.02502 hours remaining, 238.609375 MB of memory in use. ENERGY: 2710800 3910.2034 20419.8325 14562.1378 241.9364 -203678.1368 2648.1702 0.0000 0.0000 51607.7092 -110288.1473 296.5902 -161895.8565 -109924.0626 296.9399 -100.0408 -76.0429 760908.9739 3.5402 3.5102 PRESSURE: 2711000 104.841 36.4395 -9.68675 36.4402 56.5214 223.144 -9.68603 223.143 88.4521 GPRESSURE: 2711000 187.772 49.7181 -146.106 -87.4355 91.0487 205.183 71.6613 148.199 69.0068 PRESSAVG: 2711000 -0.857744 -18.0687 75.3519 -18.0687 -11.4702 -20.0596 75.3519 -20.0597 3.07543 GPRESSAVG: 2711000 0.0265161 -16.4441 76.3109 -20.9586 -11.9854 -17.4712 76.8357 -20.6154 3.1926 TIMING: 2711000 CPU: 8569.49, 0.00317668/step Wall: 8569.49, 0.00317668/step, 2.01984 hours remaining, 238.609375 MB of memory in use. ENERGY: 2711000 3950.0937 20233.7394 14535.3789 229.5474 -204120.9015 2960.0809 0.0000 0.0000 51963.8145 -110248.2466 298.6368 -162212.0611 -109878.9209 297.4709 83.2714 115.9424 759460.2645 -3.0842 -2.9221 PRESSURE: 2711200 -75.9147 -28.0652 -202.086 -28.0647 51.7191 129.567 -202.085 129.567 -9.08033 GPRESSURE: 2711200 -44.5424 40.3355 -247.396 -69.2325 53.8663 68.8118 -63.1748 178.218 32.2579 PRESSAVG: 2711200 15.5613 -16.083 39.3176 -16.083 5.19117 -40.8606 39.3176 -40.8606 8.73039 GPRESSAVG: 2711200 14.8163 -16.6867 38.7367 -12.1371 4.66367 -41.2456 38.5078 -42.3389 10.1951 TIMING: 2711200 CPU: 8570.12, 0.00314901/step Wall: 8570.12, 0.00314901/step, 2.00207 hours remaining, 238.609375 MB of memory in use. ENERGY: 2711200 4022.2161 20394.0666 14552.3992 279.1867 -203516.9987 2393.3410 0.0000 0.0000 51976.1840 -109899.6053 298.7078 -161875.7893 -109539.7416 298.2093 -11.0920 13.8606 759509.5268 9.8276 9.8917 PRESSURE: 2711400 -537.435 -90.6654 80.8781 -90.6651 -255.012 79.9402 80.8782 79.9403 -77.9969 GPRESSURE: 2711400 -410.041 -107.464 -8.06816 -50.5713 -253.273 91.1992 38.433 99.4156 -132.939 PRESSAVG: 2711400 30.8733 -43.2308 8.12695 -43.2308 -53.7793 -0.619419 8.1269 -0.61941 -5.767 GPRESSAVG: 2711400 32.631 -41.3129 8.07159 -46.3349 -53.8378 -0.622309 8.76519 0.182983 -7.51182 TIMING: 2711400 CPU: 8570.75, 0.00313803/step Wall: 8570.75, 0.00313803/step, 1.99492 hours remaining, 238.609375 MB of memory in use. ENERGY: 2711400 4026.1158 20491.1964 14591.7043 239.5106 -203008.4065 2131.7401 0.0000 0.0000 51873.3042 -109654.8349 298.1166 -161528.1391 -109291.4424 298.7908 -290.1480 -265.4175 761812.9260 -9.5577 -9.5729 PRESSURE: 2711600 -165.032 -16.2154 -4.03794 -16.2153 -169.421 -114.176 -4.03843 -114.176 62.2938 GPRESSURE: 2711600 -92.3254 -111.972 116.194 -255.569 -122.262 -97.0984 -186.631 -92.541 26.648 PRESSAVG: 2711600 -10.2943 -14.1153 -1.56381 -14.1153 -0.059424 -3.40596 -1.5638 -3.40595 23.5046 GPRESSAVG: 2711600 -10.8996 -15.6441 -0.0599529 -15.9305 -0.343391 -3.18596 -3.06726 -2.79756 23.6929 TIMING: 2711600 CPU: 8571.38, 0.00316319/step Wall: 8571.38, 0.00316319/step, 2.01073 hours remaining, 238.609375 MB of memory in use. ENERGY: 2711600 3949.8834 20501.9086 14512.7729 232.0228 -203357.7175 2462.7723 0.0000 0.0000 51848.4493 -109849.9082 297.9738 -161698.3575 -109486.5620 298.6273 -90.7198 -62.6465 761318.0882 4.3836 4.1500 PRESSURE: 2711800 377.366 0.0997443 -64.0604 0.100313 83.9874 98.7833 -64.0606 98.7839 95.6949 GPRESSURE: 2711800 347.667 -34.5217 -87.1009 -11.7552 122.14 95.6948 63.5206 42.3463 157.079 PRESSAVG: 2711800 -4.34771 -22.4762 -19.0712 -22.4762 8.0561 -19.2987 -19.0713 -19.2987 -14.2495 GPRESSAVG: 2711800 -5.11036 -22.5302 -21.2431 -20.3608 9.35804 -21.465 -17.31 -19.6763 -14.7242 TIMING: 2711800 CPU: 8572.01, 0.00314414/step Wall: 8572.01, 0.00314414/step, 1.99845 hours remaining, 238.609375 MB of memory in use. ENERGY: 2711800 4005.7954 20504.7428 14426.7291 236.4769 -203907.5233 2808.3029 0.0000 0.0000 52203.2400 -109722.2363 300.0127 -161925.4763 -109356.2063 298.8493 185.6828 208.9617 760530.9805 -3.5137 -3.4922 PRESSURE: 2712000 -283.241 5.75647 -146.638 5.75654 430.866 -309.135 -146.638 -309.136 -106.18 GPRESSURE: 2712000 -165.484 -45.3459 -168.033 -45.554 374.961 -245.852 -75.7833 -228.699 -76.3499 PRESSAVG: 2712000 9.55613 24.1516 -3.58532 24.1517 9.02024 10.342 -3.58534 10.3419 15.9731 GPRESSAVG: 2712000 10.4695 23.0298 -0.976007 23.7519 7.68374 12.6054 -5.95829 10.8564 16.5784 TIMING: 2712000 CPU: 8572.64, 0.00317229/step Wall: 8572.64, 0.00317229/step, 2.01617 hours remaining, 238.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2712000 3943.5138 20551.9142 14459.5164 262.8310 -203449.1900 2367.1133 0.0000 0.0000 52177.2381 -109687.0631 299.8633 -161864.3012 -109321.8043 299.0657 13.8148 44.3757 760358.5724 11.5165 11.5772 PRESSURE: 2712200 -92.7473 62.3503 -65.0287 62.3504 -322.003 2.41334 -65.0288 2.41391 -158.414 GPRESSURE: 2712200 -165.184 138.01 -60.8655 4.2759 -106.98 15.904 -13.4179 -105.358 -188.06 PRESSAVG: 2712200 -0.409299 -50.441 47.6066 -50.4411 9.10108 -13.2653 47.6066 -13.2653 -13.3431 GPRESSAVG: 2712200 -0.30651 -49.5253 44.286 -50.7063 9.66748 -14.5601 49.1846 -13.4113 -13.5515 TIMING: 2712200 CPU: 8573.27, 0.00314921/step Wall: 8573.27, 0.00314921/step, 2.00133 hours remaining, 238.609375 MB of memory in use. ENERGY: 2712200 4009.6426 20413.3289 14483.0271 239.6580 -203391.1988 2339.8431 0.0000 0.0000 52309.7924 -109595.9066 300.6251 -161905.6990 -109233.0454 299.4966 -191.0545 -153.4080 760839.2268 -1.5505 -1.3969 LDB: ============= START OF LOAD BALANCING ============== 8585.67 LDB: ============== END OF LOAD BALANCING =============== 8585.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8585.67 LDB: ============= START OF LOAD BALANCING ============== 8585.99 LDB: Largest compute 7028 load 0.033540 is 17.1% of average load 0.196008 LDB: Average compute 0.004353 is 2.2% of average load 0.196008 LDB: TIME 8585.99 LOAD: AVG 0.196008 MAX 0.215133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 8585.99 LOAD: AVG 0.196008 MAX 0.215133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 8585.99 LOAD: AVG 0.196008 MAX 0.215133 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 8586 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8586 PRESSURE: 2712400 77.1879 17.3336 -153.339 17.3343 -264.457 167.456 -153.339 167.455 -391.722 GPRESSURE: 2712400 107.589 -56.5736 -202.548 51.1194 -237.434 160.406 -158.667 182.78 -342.578 PRESSAVG: 2712400 9.82347 -35.8218 -25.0022 -35.8218 1.29894 -0.0397248 -25.0022 -0.0397056 -9.66395 GPRESSAVG: 2712400 10.2808 -37.323 -23.7556 -33.1908 1.51362 1.32076 -24.2528 0.694548 -9.72478 TIMING: 2712400 CPU: 8573.92, 0.00322169/step Wall: 8573.92, 0.00322169/step, 2.0472 hours remaining, 238.664062 MB of memory in use. ENERGY: 2712400 3984.4386 20546.8931 14489.9669 251.1636 -203503.0124 2396.1910 0.0000 0.0000 52049.3710 -109784.9882 299.1285 -161834.3591 -109429.2579 298.8309 -192.9971 -157.4742 759983.0373 0.4862 0.6899 PRESSURE: 2712600 -28.3108 136.506 -110.338 136.505 141.017 -152.335 -110.338 -152.334 48.0051 GPRESSURE: 2712600 28.5108 92.6464 -155.068 97.0556 201.786 -192.789 8.90684 -146.375 19.6414 PRESSAVG: 2712600 -62.983 -26.612 -12.8719 -26.612 71.4741 -44.3965 -12.872 -44.3964 10.7012 GPRESSAVG: 2712600 -63.5324 -23.9317 -11.9485 -28.2053 71.9935 -46.1827 -11.8653 -43.9679 10.323 TIMING: 2712600 CPU: 8574.54, 0.00313362/step Wall: 8574.54, 0.00313362/step, 1.99107 hours remaining, 238.867188 MB of memory in use. ENERGY: 2712600 4016.5121 20599.0116 14413.3349 224.8871 -203469.0806 2305.8901 0.0000 0.0000 51998.3610 -109911.0837 298.8353 -161909.4447 -109544.8430 298.8216 53.5705 83.3128 759452.9038 6.3974 6.2614 PRESSURE: 2712800 -341.306 8.87985 100.996 8.88023 -171.753 182.971 100.996 182.97 -444.535 GPRESSURE: 2712800 -312.424 -1.67769 67.1902 113.389 -116.593 326.738 60.4729 53.4734 -460.987 PRESSAVG: 2712800 -29.0138 -31.6747 -1.74306 -31.6746 22.4958 -29.1788 -1.7431 -29.1788 -1.96842 GPRESSAVG: 2712800 -29.5969 -32.0859 -2.33463 -32.3408 22.5654 -27.6579 -4.92047 -29.3658 -1.79152 TIMING: 2712800 CPU: 8575.17, 0.00313944/step Wall: 8575.17, 0.00313944/step, 1.99459 hours remaining, 238.867188 MB of memory in use. ENERGY: 2712800 4059.2972 20566.3939 14484.1385 254.8468 -203242.5926 2193.0129 0.0000 0.0000 51774.0600 -109910.8433 297.5462 -161684.9033 -109551.6539 298.2915 -319.1978 -296.6682 760610.6125 -2.8288 -2.9410 PRESSURE: 2713000 -89.16 -57.8774 129.912 -57.878 -378.658 -98.639 129.912 -98.6385 -258.636 GPRESSURE: 2713000 31.9493 -184.241 207.063 -6.92551 -476.203 -112.169 93.3621 -96.916 -219.359 PRESSAVG: 2713000 -8.84347 -82.1486 33.3102 -82.1487 30.5067 7.83713 33.3102 7.83708 -11.2088 GPRESSAVG: 2713000 -7.99209 -82.3881 35.601 -82.3118 30.8721 8.085 33.9752 9.11187 -11.9934 TIMING: 2713000 CPU: 8575.8, 0.00313844/step Wall: 8575.8, 0.00313844/step, 1.99378 hours remaining, 238.867188 MB of memory in use. ENERGY: 2713000 3973.0818 20415.2156 14552.8667 226.2424 -203734.8678 2643.9738 0.0000 0.0000 52000.6321 -109922.8555 298.8483 -161923.4876 -109560.3099 298.6359 -242.1513 -221.2041 761690.4462 3.4848 3.6289 PRESSURE: 2713200 5.46067 8.16155 -223.587 8.16175 -89.4063 -179.259 -223.585 -179.259 -81.4421 GPRESSURE: 2713200 77.6552 -22.7563 -267.506 52.1109 -53.0091 -217.568 -216.39 -301.608 -94.2787 PRESSAVG: 2713200 15.6237 -61.5898 -46.4185 -61.5898 -64.3558 4.2473 -46.4185 4.24736 33.6581 GPRESSAVG: 2713200 15.4017 -63.5406 -46.8187 -60.5975 -64.8359 3.5524 -45.6764 2.95114 34.9036 TIMING: 2713200 CPU: 8576.43, 0.00313256/step Wall: 8576.43, 0.00313256/step, 1.98987 hours remaining, 238.867188 MB of memory in use. ENERGY: 2713200 4009.1867 20394.9022 14379.1383 251.2208 -203511.0909 2434.1979 0.0000 0.0000 51948.4021 -110094.0429 298.5482 -162042.4450 -109729.0242 298.2160 -55.1292 -23.2108 759288.0063 -5.0247 -4.8435 PRESSURE: 2713400 157.33 206.364 336.666 206.363 27.3114 191.808 336.666 191.808 94.2769 GPRESSURE: 2713400 270.375 126.993 275.241 180.185 5.03216 179.669 305.322 148.569 104.368 PRESSAVG: 2713400 61.3521 -26.3139 -6.14552 -26.3139 -33.5034 -18.0041 -6.14555 -18.0042 -13.6865 GPRESSAVG: 2713400 62.4322 -23.7646 -8.40863 -26.2151 -33.3951 -18.1588 -4.94339 -19.5738 -14.7662 TIMING: 2713400 CPU: 8577.06, 0.0031475/step Wall: 8577.06, 0.0031475/step, 1.99919 hours remaining, 238.867188 MB of memory in use. ENERGY: 2713400 3856.5201 20405.4005 14521.3061 262.2071 -204114.0913 2730.1955 0.0000 0.0000 52071.3582 -110267.1038 299.2548 -162338.4620 -109893.2074 297.9991 92.9728 126.5918 758310.5133 4.7207 4.7570 PRESSURE: 2713600 366.589 -146.748 -76.7919 -146.75 77.4066 9.20995 -76.7918 9.21006 184.47 GPRESSURE: 2713600 409.907 -191.798 -127.526 -81.1827 102.202 -30.0548 47.3042 160.265 212.713 PRESSAVG: 2713600 63.9656 -45.139 -7.95529 -45.139 -9.29158 4.22236 -7.9553 4.22237 -18.0431 GPRESSAVG: 2713600 63.5712 -45.8915 -5.66584 -44.747 -9.32509 5.88926 -8.72532 4.20972 -17.5609 TIMING: 2713600 CPU: 8577.69, 0.0031507/step Wall: 8577.69, 0.0031507/step, 2.00105 hours remaining, 238.867188 MB of memory in use. ENERGY: 2713600 3966.0782 20454.0225 14538.5859 228.5126 -203878.3416 2648.7867 0.0000 0.0000 51808.7171 -110233.6386 297.7454 -162042.3556 -109870.9790 298.2942 209.4887 241.6074 758617.1284 12.2103 12.2284 PRESSURE: 2713800 -334.11 -18.6494 140.822 -18.6494 135.779 -224.243 140.822 -224.244 529.217 GPRESSURE: 2713800 -261.648 42.4679 124.323 5.10014 135.763 -243.612 140.009 -249.527 552.83 PRESSAVG: 2713800 37.4132 -19.1737 14.9016 -19.1738 -52.6045 -14.6444 14.9016 -14.6444 8.98019 GPRESSAVG: 2713800 36.9955 -19.9474 13.6826 -17.4158 -52.4168 -15.4934 14.8753 -15.0389 9.26163 TIMING: 2713800 CPU: 8578.31, 0.00312714/step Wall: 8578.31, 0.00312715/step, 1.98591 hours remaining, 238.867188 MB of memory in use. ENERGY: 2713800 3976.1166 20387.6814 14475.8686 237.1835 -203699.9434 2647.9769 0.0000 0.0000 51871.6954 -110103.4210 298.1073 -161975.1163 -109748.2847 298.0055 110.2954 142.3150 760435.1352 -2.0703 -2.0532 PRESSURE: 2714000 138.1 -113.272 198.681 -113.272 -292.426 95.4446 198.681 95.4438 17.3609 GPRESSURE: 2714000 90.8853 -89.2404 211.757 -36.5916 -291.121 73.9308 173.691 129.541 148.242 PRESSAVG: 2714000 61.7869 -15.6116 -4.10345 -15.6116 -41.1226 18.2555 -4.10343 18.2555 -5.9895 GPRESSAVG: 2714000 62.3238 -13.8434 -4.021 -19.1291 -42.2655 18.3866 -6.18679 19.3188 -5.29065 TIMING: 2714000 CPU: 8578.94, 0.00314526/step Wall: 8578.94, 0.00314526/step, 1.99724 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2714000 4063.1992 20474.6508 14494.0278 249.8524 -203308.6426 2504.6188 0.0000 0.0000 51629.7257 -109892.5680 296.7167 -161522.2937 -109538.4798 298.4578 -45.6552 -17.3311 758556.3403 4.8916 4.9225 PRESSURE: 2714200 41.5421 154.39 166.085 154.39 -547.673 67.4534 166.084 67.4535 -4.17007 GPRESSURE: 2714200 31.6673 166.433 87.4054 144.043 -459.027 153.662 142.752 48.9445 22.6193 PRESSAVG: 2714200 16.2218 -30.5001 -51.5799 -30.5 -37.6307 26.7032 -51.5799 26.7031 -1.80872 GPRESSAVG: 2714200 15.2348 -30.1153 -51.6754 -28.4144 -35.9826 26.8106 -50.3169 26.9542 -1.78117 TIMING: 2714200 CPU: 8579.57, 0.00315503/step Wall: 8579.57, 0.00315503/step, 2.00327 hours remaining, 238.867188 MB of memory in use. ENERGY: 2714200 4010.8143 20344.0565 14582.8529 249.6381 -203323.5070 2396.5141 0.0000 0.0000 51997.0475 -109742.5835 298.8277 -161739.6310 -109387.8756 298.7448 -170.1002 -134.9135 759839.3655 -7.7392 -7.5097 PRESSURE: 2714400 80.6956 -65.181 82.9797 -65.1811 -139.885 149.53 82.9804 149.53 327.665 GPRESSURE: 2714400 164.998 -0.23796 81.039 -34.7125 -122.084 203.164 39.7387 96.5185 311.405 PRESSAVG: 2714400 53.4488 -35.7147 -15.4626 -35.7146 -24.23 -38.5139 -15.4625 -38.5139 -15.2273 GPRESSAVG: 2714400 54.2485 -36.2165 -15.2107 -36.3096 -24.2634 -38.1232 -15.0297 -41.4862 -16.5128 TIMING: 2714400 CPU: 8580.2, 0.0031368/step Wall: 8580.2, 0.0031368/step, 1.99152 hours remaining, 238.867188 MB of memory in use. ENERGY: 2714400 3979.2975 20358.8247 14563.6622 238.9217 -203678.5276 2737.4309 0.0000 0.0000 52007.7457 -109792.6448 298.8892 -161800.3905 -109431.4796 298.9306 89.4919 118.1063 760866.9956 4.6638 4.4908 PRESSURE: 2714600 -85.7335 -118.128 66.1355 -118.128 9.43638 111.455 66.1359 111.454 -268.788 GPRESSURE: 2714600 21.2291 -168.006 -9.71068 5.88189 -0.751624 18.9974 121.201 8.66049 -272.212 PRESSAVG: 2714600 -3.4324 -62.1588 7.6696 -62.1588 -16.7931 29.7713 7.66961 29.7714 -36.5643 GPRESSAVG: 2714600 -4.51598 -62.8196 5.89195 -61.5088 -18.4137 28.4166 6.85766 32.5948 -33.9633 TIMING: 2714600 CPU: 8580.83, 0.00314952/step Wall: 8580.83, 0.00314952/step, 1.99942 hours remaining, 238.867188 MB of memory in use. ENERGY: 2714600 3985.9008 20285.8523 14492.4581 245.2720 -203220.1045 2356.1323 0.0000 0.0000 52064.1297 -109790.3593 299.2133 -161854.4890 -109424.3636 298.7410 -115.0285 -83.9115 761731.9894 -18.9300 -18.9643 PRESSURE: 2714800 -372.801 82.4062 14.8575 82.4066 -343.787 29.0013 14.8581 29.0013 -169.307 GPRESSURE: 2714800 -326.623 63.3389 38.5594 11.436 -361.393 24.9514 1.8134 10.974 -120.052 PRESSAVG: 2714800 6.72167 -45.5582 -21.0715 -45.5582 -12.091 12.5327 -21.0715 12.5326 -3.30027 GPRESSAVG: 2714800 6.84478 -46.64 -19.4448 -46.0627 -10.7139 13.3655 -20.2771 12.1301 -4.2103 TIMING: 2714800 CPU: 8581.46, 0.00315992/step Wall: 8581.46, 0.00315992/step, 2.00585 hours remaining, 238.867188 MB of memory in use. ENERGY: 2714800 3977.9723 20457.3817 14503.7612 262.8305 -203072.8813 2298.5998 0.0000 0.0000 51805.0120 -109767.3238 297.7241 -161572.3358 -109405.4954 297.9250 -295.2985 -269.3559 762795.0002 -2.8898 -2.6931 PRESSURE: 2715000 146.808 -112.967 -138.631 -112.967 -158.72 28.1138 -138.631 28.1131 186.543 GPRESSURE: 2715000 243.397 -106.534 -173.763 -80.3077 -91.7849 71.7011 -108.764 84.1306 100.944 PRESSAVG: 2715000 9.22281 -11.8402 -46.5623 -11.8402 -24.1105 -15.8935 -46.5623 -15.8935 -22.9783 GPRESSAVG: 2715000 10.0859 -10.9231 -47.3772 -12.9621 -23.9435 -15.348 -45.4417 -16.9486 -24.2159 TIMING: 2715000 CPU: 8582.09, 0.00312716/step Wall: 8582.09, 0.00312716/step, 1.98488 hours remaining, 238.867188 MB of memory in use. ENERGY: 2715000 3933.7954 20529.3690 14600.0943 250.2421 -203441.5871 2375.3785 0.0000 0.0000 51867.7246 -109884.9833 298.0845 -161752.7079 -109527.3629 297.9173 58.2104 84.1855 761946.9330 -12.6220 -12.6911 PRESSURE: 2715200 -350.932 -21.4402 179.351 -21.4388 -267.053 134.036 179.351 134.036 -245.117 GPRESSURE: 2715200 -273.894 89.7091 91.6661 -41.2315 -266.287 185.201 125.097 285.018 -242.909 PRESSAVG: 2715200 61.0941 -13.3747 -50.2903 -13.3747 -28.9644 -14.858 -50.2903 -14.8579 -9.88178 GPRESSAVG: 2715200 60.9407 -13.9985 -48.7738 -10.4856 -29.6444 -17.0116 -51.7088 -12.8002 -9.33407 TIMING: 2715200 CPU: 8582.72, 0.00316305/step Wall: 8582.72, 0.00316305/step, 2.00748 hours remaining, 238.867188 MB of memory in use. ENERGY: 2715200 3945.4871 20464.9889 14512.6212 249.4835 -203305.8371 2273.9585 0.0000 0.0000 51953.7805 -109905.5175 298.5791 -161859.2979 -109539.5329 298.4506 -287.7004 -261.0298 761700.9356 7.4160 7.3207 PRESSURE: 2715400 -219.443 86.4541 -99.0628 86.4545 -124.418 -135.457 -99.0626 -135.457 -1.48488 GPRESSURE: 2715400 -140.205 108.253 -37.5139 61.2432 -82.7423 -234.36 -146.92 -101.2 -44.6664 PRESSAVG: 2715400 20.8932 -33.6748 11.2727 -33.6748 -5.68353 11.0087 11.2727 11.0087 -3.17985 GPRESSAVG: 2715400 20.1718 -34.3439 12.6189 -35.9879 -5.13983 11.1728 9.69148 10.2957 -3.09879 TIMING: 2715400 CPU: 8583.35, 0.00317473/step Wall: 8583.35, 0.00317473/step, 2.01472 hours remaining, 238.867188 MB of memory in use. ENERGY: 2715400 3985.1933 20508.4291 14582.3262 240.3495 -203708.9599 2563.1864 0.0000 0.0000 51855.9247 -109973.5506 298.0167 -161829.4754 -109623.2242 298.3988 -115.1153 -89.2047 761117.9887 4.0099 3.9777 PRESSURE: 2715600 139.749 -155.577 155.232 -155.576 264.403 -32.8307 155.232 -32.8322 407.83 GPRESSURE: 2715600 236.434 -77.0312 195.566 -203.699 212.45 -54.4931 158.426 -96.3848 450.417 PRESSAVG: 2715600 15.3447 -11.2866 36.418 -11.2866 7.92485 -21.0478 36.418 -21.0478 -6.38567 GPRESSAVG: 2715600 15.3706 -10.7157 33.8582 -9.69546 7.13015 -20.6388 36.7818 -21.0108 -5.71508 TIMING: 2715600 CPU: 8583.99, 0.00316864/step Wall: 8583.99, 0.00316864/step, 2.01068 hours remaining, 238.867188 MB of memory in use. ENERGY: 2715600 3882.9354 20382.0045 14587.8185 251.3647 -203595.3253 2519.6098 0.0000 0.0000 51973.8479 -109997.7445 298.6944 -161971.5924 -109636.1818 298.0470 270.6609 299.7670 760533.8939 5.6279 5.5952 PRESSURE: 2715800 109.97 -122.048 -116.871 -122.048 403.646 -150.525 -116.87 -150.524 368.492 GPRESSURE: 2715800 174.966 -12.0714 -248.239 -104.876 396.714 -150.738 -42.9755 -130.889 390.6 PRESSAVG: 2715800 -2.91245 29.3504 4.84512 29.3504 -28.4338 -40.3294 4.84515 -40.3294 14.8543 GPRESSAVG: 2715800 -2.63878 30.4099 4.63362 29.1538 -27.7219 -39.0235 6.56346 -39.8667 13.8291 TIMING: 2715800 CPU: 8584.62, 0.00316932/step Wall: 8584.62, 0.00316932/step, 2.01093 hours remaining, 238.867188 MB of memory in use. ENERGY: 2715800 3899.0832 20465.7833 14507.6270 241.0649 -204034.8585 2881.0577 0.0000 0.0000 52264.0568 -109776.1855 300.3623 -162040.2423 -109411.8121 298.9014 294.0360 320.7601 761056.5167 -5.4973 -5.5105 PRESSURE: 2716000 141.369 -241.367 -100.831 -241.367 349.711 105.487 -100.831 105.486 -36.7616 GPRESSURE: 2716000 219.338 -239.107 -162.458 -161.145 347.216 157.056 -190.779 192.952 -43.7936 PRESSAVG: 2716000 34.8988 -28.1082 20.0426 -28.1082 -15.3046 -9.0233 20.0426 -9.0233 -5.42692 GPRESSAVG: 2716000 34.6128 -27.1478 20.6989 -28.4626 -15.7619 -9.19023 19.0734 -9.52013 -4.83083 TIMING: 2716000 CPU: 8585.26, 0.00316686/step Wall: 8585.26, 0.00316686/step, 2.0092 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2716000 3897.5393 20433.2747 14556.6412 247.4316 -203649.4744 2595.6232 0.0000 0.0000 52171.4346 -109747.5299 299.8300 -161918.9644 -109377.9678 299.0646 151.4395 174.2533 762023.5550 4.7224 4.6734 PRESSURE: 2716200 150.065 -196.037 -101.891 -196.037 197.042 58.7965 -101.892 58.7972 339.064 GPRESSURE: 2716200 96.4087 -174.833 -64.316 -180.788 236.447 42.6004 -63.5423 73.0332 425.202 PRESSAVG: 2716200 18.4547 11.5787 -18.0436 11.5787 3.57412 36.3016 -18.0435 36.3016 13.7356 GPRESSAVG: 2716200 17.3265 10.9192 -18.8562 10.1257 3.40187 36.5863 -16.0349 36.6092 14.7736 TIMING: 2716200 CPU: 8585.89, 0.00315488/step Wall: 8585.89, 0.00315488/step, 2.00142 hours remaining, 238.867188 MB of memory in use. ENERGY: 2716200 3928.8370 20451.9463 14549.6732 256.7742 -203175.6681 2564.4364 0.0000 0.0000 51776.3766 -109647.6243 297.5595 -161424.0009 -109278.8531 299.2207 228.7238 252.6859 761659.2199 11.9215 11.8340 LDB: ============= START OF LOAD BALANCING ============== 8598.28 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8598.28 LDB: =============== DONE WITH MIGRATION ================ 8598.29 LDB: ============= START OF LOAD BALANCING ============== 8598.6 LDB: Largest compute 7058 load 0.034599 is 17.7% of average load 0.196019 LDB: Average compute 0.004388 is 2.2% of average load 0.196019 LDB: TIME 8598.61 LOAD: AVG 0.196019 MAX 0.215339 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 8598.61 LOAD: AVG 0.196019 MAX 0.215339 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: TIME 8598.61 LOAD: AVG 0.196019 MAX 0.215339 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: ============== END OF LOAD BALANCING =============== 8598.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8598.61 PRESSURE: 2716400 298.562 -64.7857 -237.997 -64.7862 193.261 129.895 -237.996 129.894 21.6268 GPRESSURE: 2716400 301.718 -82.0297 -121.209 -45.8828 234.431 73.8911 -164.976 71.6483 89.4052 PRESSAVG: 2716400 27.6886 -24.9929 1.76418 -24.9928 -30.4364 3.2408 1.76416 3.24076 6.17056 GPRESSAVG: 2716400 28.5682 -25.7648 2.67104 -25.3919 -29.2909 1.64213 0.56206 2.36813 4.48477 TIMING: 2716400 CPU: 8586.53, 0.00322278/step Wall: 8586.53, 0.00322278/step, 2.04432 hours remaining, 238.613281 MB of memory in use. ENERGY: 2716400 4086.4736 20433.9086 14479.0135 237.9890 -203243.3992 2496.1138 0.0000 0.0000 52011.7918 -109498.1089 298.9125 -161509.9007 -109138.2668 299.4755 171.1500 208.5182 759304.4196 1.1409 1.2540 PRESSURE: 2716600 -156.255 -223.199 -82.1778 -223.199 145.243 -178.932 -82.1783 -178.933 69.4525 GPRESSURE: 2716600 -150.225 -194.484 -145.473 -201.956 222.33 -270.474 -68.6886 -95.5222 80.8079 PRESSAVG: 2716600 -33.1719 -17.7611 2.90452 -17.7611 16.8108 37.1557 2.9045 37.1556 -0.160416 GPRESSAVG: 2716600 -33.1785 -17.3365 2.28263 -15.7032 15.7953 37.6158 4.40387 37.2314 0.825762 TIMING: 2716600 CPU: 8587.16, 0.00313915/step Wall: 8587.16, 0.00313915/step, 1.99109 hours remaining, 238.613281 MB of memory in use. ENERGY: 2716600 3962.0082 20577.0629 14457.5297 257.5144 -203145.8715 2344.1493 0.0000 0.0000 52022.4637 -109525.1432 298.9738 -161547.6069 -109160.2653 299.3908 19.4800 50.9712 760159.1116 -5.5072 -5.5191 PRESSURE: 2716800 -251.639 -55.5187 -116.044 -55.5192 -165.323 119.081 -116.044 119.079 298.228 GPRESSURE: 2716800 -275.471 69.6782 -126.665 11.8995 -49.0296 98.2092 10.4864 280.614 300.103 PRESSAVG: 2716800 11.106 16.2735 -11.5075 16.2735 -25.0403 -3.87659 -11.5075 -3.87656 4.43605 GPRESSAVG: 2716800 10.9328 15.7781 -11.0824 15.7433 -24.3205 -3.43847 -13.1073 -2.4833 3.97702 TIMING: 2716800 CPU: 8587.79, 0.0031361/step Wall: 8587.79, 0.0031361/step, 1.98898 hours remaining, 238.613281 MB of memory in use. ENERGY: 2716800 3980.7992 20397.4514 14445.1259 254.1203 -202982.6162 2183.2035 0.0000 0.0000 52325.8013 -109396.1145 300.7171 -161721.9158 -109020.9993 299.9196 -39.5777 -8.1324 760941.1693 -3.1661 -3.1369 PRESSURE: 2717000 70.245 117.918 -71.9569 117.917 245.983 -142.258 -71.9565 -142.258 175.657 GPRESSURE: 2717000 158.457 62.7899 -131.66 30.1992 230.262 -118.653 -95.3177 11.9041 180.297 PRESSAVG: 2717000 12.3436 2.15264 -28.8997 2.15266 3.21669 30.5763 -28.8997 30.5764 -26.0923 GPRESSAVG: 2717000 12.4935 3.03199 -28.2258 -0.459875 3.71651 29.5574 -30.0009 29.5703 -26.7893 TIMING: 2717000 CPU: 8588.42, 0.00315289/step Wall: 8588.42, 0.00315289/step, 1.99946 hours remaining, 238.613281 MB of memory in use. ENERGY: 2717000 3957.4911 20576.9123 14469.0573 251.4626 -203485.4949 2573.9979 0.0000 0.0000 52107.1305 -109549.4432 299.4604 -161656.5736 -109184.9730 299.1541 163.9618 189.6721 760268.9261 -3.5107 -3.5264 PRESSURE: 2717200 -61.3227 35.3588 -82.3435 35.359 57.6746 147.513 -82.3439 147.513 233.363 GPRESSURE: 2717200 -12.4539 37.1943 -36.6326 -94.3376 93.9984 172.572 -85.1126 203.378 235.96 PRESSAVG: 2717200 34.5953 14.0423 -45.3558 14.0424 -19.5364 10.0714 -45.3559 10.0715 -28.4663 GPRESSAVG: 2717200 35.1205 13.405 -45.0863 15.5609 -19.9578 10.8929 -44.2551 11.7917 -28.4651 TIMING: 2717200 CPU: 8589.04, 0.00313195/step Wall: 8589.04, 0.00313195/step, 1.986 hours remaining, 238.613281 MB of memory in use. ENERGY: 2717200 3975.0409 20430.2462 14433.3460 253.1229 -203092.4009 2324.6448 0.0000 0.0000 52252.6521 -109423.3482 300.2967 -161676.0003 -109059.1429 299.2415 76.5716 105.8349 760773.7601 -4.4691 -4.4341 PRESSURE: 2717400 101.606 82.1223 -60.0516 82.1225 -53.1481 63.7289 -60.0505 63.7293 62.418 GPRESSURE: 2717400 114.404 29.267 -23.4852 135.343 -41.309 84.149 -84.4397 7.84728 111.638 PRESSAVG: 2717400 7.47426 -43.3271 -10.3269 -43.3271 -28.4591 70.6802 -10.3268 70.6801 4.80788 GPRESSAVG: 2717400 7.97021 -46.1761 -10.1028 -41.1267 -29.046 70.9474 -11.1484 66.9423 5.5349 TIMING: 2717400 CPU: 8589.68, 0.00317403/step Wall: 8589.68, 0.00317403/step, 2.01251 hours remaining, 238.613281 MB of memory in use. ENERGY: 2717400 3945.9183 20645.9411 14486.2116 254.9474 -203321.1117 2506.0153 0.0000 0.0000 52153.7344 -109328.3436 299.7282 -161482.0780 -108980.3070 299.3895 36.9587 61.5777 759326.1465 -5.3923 -5.1803 PRESSURE: 2717600 -89.9316 -203.642 -34.8651 -203.642 129.661 -205.062 -34.8652 -205.061 416.277 GPRESSURE: 2717600 -42.8283 -139.476 -147.105 -209.011 184.164 -197.66 2.82489 -123.155 394.674 PRESSAVG: 2717600 20.1099 -17.6464 52.0728 -17.6464 -5.10585 -3.19037 52.0728 -3.19032 8.07795 GPRESSAVG: 2717600 19.2236 -14.8104 51.2919 -19.8291 -4.67076 -4.36912 53.0612 -1.65954 8.58211 TIMING: 2717600 CPU: 8590.31, 0.00314947/step Wall: 8590.31, 0.00314946/step, 1.99676 hours remaining, 238.613281 MB of memory in use. ENERGY: 2717600 4003.5108 20552.6215 14422.4083 245.9933 -202988.4913 2321.7615 0.0000 0.0000 52189.8943 -109252.3016 299.9360 -161442.1959 -108894.6678 300.1252 152.0020 178.6700 759995.9703 7.6940 7.7116 PRESSURE: 2717800 -63.6255 -83.9108 -88.3808 -83.9111 -224.923 -33.0511 -88.3814 -33.0503 43.0284 GPRESSURE: 2717800 -23.4549 -56.8647 -89.6088 -108.348 -170.917 -42.0935 -189.726 -46.6662 47.2589 PRESSAVG: 2717800 9.94034 7.2635 -9.89696 7.26351 -7.69207 -11.0354 -9.89694 -11.0354 14.3416 GPRESSAVG: 2717800 11.9043 6.38746 -8.67208 6.08958 -7.61638 -10.3773 -10.06 -9.17082 13.5348 TIMING: 2717800 CPU: 8590.94, 0.00314936/step Wall: 8590.94, 0.00314936/step, 1.99652 hours remaining, 238.613281 MB of memory in use. ENERGY: 2717800 3974.3563 20416.8657 14487.4329 240.5157 -203159.3291 2196.3140 0.0000 0.0000 52295.5823 -109548.2622 300.5434 -161843.8444 -109186.4781 299.2724 -81.8400 -49.0378 759076.2122 5.5299 5.9409 PRESSURE: 2718000 -142.126 -150.692 -57.705 -150.691 -126.256 151.252 -57.7051 151.251 -53.7606 GPRESSURE: 2718000 -148.424 -16.7566 -48.9639 -103.128 -104.998 156.584 -19.5264 145.621 5.70325 PRESSAVG: 2718000 -17.5382 -47.6017 -3.36978 -47.6017 15.2727 -3.50027 -3.36977 -3.50032 -8.30875 GPRESSAVG: 2718000 -18.0732 -46.0051 -3.59072 -47.7597 16.364 -3.42289 -3.6798 -6.16949 -8.8907 TIMING: 2718000 CPU: 8591.57, 0.00316256/step Wall: 8591.57, 0.00316256/step, 2.00471 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 3888.9149 20684.2561 14368.5957 254.0802 -203038.4736 2292.0190 0.0000 0.0000 52107.0441 -109443.5636 299.4599 -161550.6077 -109077.0088 299.9138 -107.3809 -82.5730 760549.7524 -3.5248 -3.5333 PRESSURE: 2718200 -170.24 200.307 195.759 200.308 -694.214 42.1801 195.76 42.1794 -18.1687 GPRESSURE: 2718200 -259.587 149.317 202.174 235.94 -561.343 74.8166 204.408 95.9072 6.88203 PRESSAVG: 2718200 30.1209 -55.1559 -9.84501 -55.156 -20.2945 19.6419 -9.84498 19.642 -10.8707 GPRESSAVG: 2718200 30.3645 -55.6518 -10.3339 -53.625 -21.4583 18.6576 -11.2396 18.629 -9.88975 TIMING: 2718200 CPU: 8592.2, 0.00315508/step Wall: 8592.2, 0.00315508/step, 1.99979 hours remaining, 238.613281 MB of memory in use. ENERGY: 2718200 3940.4356 20647.9276 14442.1923 254.1894 -202898.4941 2107.1243 0.0000 0.0000 52006.8407 -109499.7843 298.8840 -161506.6250 -109129.4130 300.1101 -294.2078 -271.3492 762075.1887 -0.3481 -0.3278 PRESSURE: 2718400 -106.905 -287.501 -114.793 -287.501 143.7 -42.9869 -114.793 -42.9875 -311.81 GPRESSURE: 2718400 -135.501 -212.429 -164.681 -277.986 214.061 -88.2657 -55.9709 114.23 -263.491 PRESSAVG: 2718400 5.52836 -24.2871 5.89525 -24.2871 16.8548 40.0733 5.89529 40.0733 -11.0002 GPRESSAVG: 2718400 4.63423 -23.997 6.60183 -24.9732 17.1689 40.9211 8.11328 43.3696 -10.3954 TIMING: 2718400 CPU: 8592.83, 0.00316749/step Wall: 8592.83, 0.00316749/step, 2.00748 hours remaining, 238.613281 MB of memory in use. ENERGY: 2718400 4070.5196 20452.5680 14504.4746 244.8560 -203440.9928 2524.2604 0.0000 0.0000 52357.6923 -109286.6219 300.9004 -161644.3141 -108921.4828 299.4584 -91.6717 -61.6439 759339.2097 3.7943 3.8026 PRESSURE: 2718600 -701.761 -90.0892 -69.6334 -90.0896 -424.512 144.727 -69.6331 144.727 -37.1408 GPRESSURE: 2718600 -645.239 -168.359 -20.4933 -98.2146 -371.752 132.748 -22.4613 67.1094 -44.1838 PRESSAVG: 2718600 -33.7731 -5.4105 -8.77065 -5.4104 20.4201 61.9871 -8.77065 61.9871 2.287 GPRESSAVG: 2718600 -32.5222 -7.561 -9.50763 -4.60845 19.6839 61.5042 -6.99603 61.8065 1.32566 TIMING: 2718600 CPU: 8593.47, 0.00315832/step Wall: 8593.47, 0.00315832/step, 2.0015 hours remaining, 238.613281 MB of memory in use. ENERGY: 2718600 3991.9608 20567.3171 14455.3757 239.6686 -202598.3175 1902.3179 0.0000 0.0000 52039.8906 -109401.7867 299.0740 -161441.6773 -109032.7721 299.8284 -387.8045 -353.7247 760583.3658 -3.6887 -3.8376 PRESSURE: 2718800 306.39 -211.764 -18.5186 -211.763 50.921 -136.761 -18.5179 -136.762 62.313 GPRESSURE: 2718800 379.386 -71.8571 1.80037 -106.647 100.885 -145.111 -107.995 -95.598 14.2282 PRESSAVG: 2718800 -3.09562 -84.9077 4.79903 -84.9077 -5.51235 2.46069 4.79905 2.4607 -18.6015 GPRESSAVG: 2718800 -3.61248 -83.5814 4.39518 -86.1957 -4.64801 3.4923 3.03207 1.02722 -19.0745 TIMING: 2718800 CPU: 8594.1, 0.00315195/step Wall: 8594.1, 0.00315195/step, 1.99729 hours remaining, 238.613281 MB of memory in use. ENERGY: 2718800 3934.9276 20537.2456 14527.7856 254.2081 -203556.8756 2502.7791 0.0000 0.0000 52198.7898 -109601.1398 299.9872 -161799.9295 -109228.1638 299.2776 139.8746 164.8332 759327.4554 -9.0698 -9.1117 PRESSURE: 2719000 -117.295 -33.6035 108.972 -33.6033 -427.48 61.0232 108.971 61.0229 -268.489 GPRESSURE: 2719000 -88.1187 -161.203 86.3322 -9.85305 -360.901 58.0748 -6.39122 69.0102 -282.467 PRESSAVG: 2719000 -46.2145 4.55212 6.65162 4.55207 39.2305 -3.30435 6.65148 -3.30429 2.37685 GPRESSAVG: 2719000 -47.8392 4.49174 6.17208 5.09921 39.5731 -4.13172 7.34422 -4.47939 3.63833 TIMING: 2719000 CPU: 8594.73, 0.00315992/step Wall: 8594.73, 0.00315992/step, 2.00216 hours remaining, 238.613281 MB of memory in use. ENERGY: 2719000 4080.3394 20509.5408 14468.3843 279.1272 -203359.1258 2499.4079 0.0000 0.0000 51897.1333 -109625.1929 298.2535 -161522.3262 -109256.4981 298.8877 -271.0877 -243.8288 760026.1157 -1.5357 -1.5426 PRESSURE: 2719200 1.5953 1.20023 179.544 1.20071 36.5517 326.414 179.544 326.413 -198.5 GPRESSURE: 2719200 47.406 -166.578 194.491 -74.7332 -25.0926 331.201 209.59 336.906 -103.712 PRESSAVG: 2719200 10.2991 -21.8737 14.0557 -21.8738 -20.9918 7.06806 14.0556 7.06806 2.90442 GPRESSAVG: 2719200 10.9875 -22.8208 14.5437 -21.7746 -21.3308 7.45605 11.6744 6.66835 2.50882 TIMING: 2719200 CPU: 8595.36, 0.00316502/step Wall: 8595.36, 0.00316502/step, 2.00522 hours remaining, 238.613281 MB of memory in use. ENERGY: 2719200 3995.1482 20593.7855 14507.6887 230.5887 -203133.4263 2190.6435 0.0000 0.0000 52049.9036 -109565.6681 299.1315 -161615.5717 -109205.8147 299.2117 -53.4511 -27.1329 760278.0464 -2.5961 -2.6115 PRESSURE: 2719400 -143.247 43.7405 -18.0218 43.7406 -58.5351 -36.5942 -18.0229 -36.5939 210.875 GPRESSURE: 2719400 -76.8494 133.665 9.58237 64.0144 5.67858 -14.2542 6.82361 -54.3018 156.907 PRESSAVG: 2719400 -3.50621 -5.48534 -29.4756 -5.48528 30.5188 27.1288 -29.4756 27.1289 -18.4618 GPRESSAVG: 2719400 -3.2017 -4.37116 -30.1122 -5.89318 29.9344 25.1943 -26.6626 30.2287 -18.117 TIMING: 2719400 CPU: 8595.99, 0.00316282/step Wall: 8595.99, 0.00316282/step, 2.00365 hours remaining, 238.613281 MB of memory in use. ENERGY: 2719400 3940.2340 20530.6654 14495.2208 253.1187 -203535.0730 2516.3632 0.0000 0.0000 52113.7827 -109685.6883 299.4986 -161799.4710 -109322.5695 299.4291 3.0309 28.5787 760110.5458 2.8503 2.8719 PRESSURE: 2719600 454.009 -45.5835 -106.736 -45.5842 -115.734 60.6943 -106.737 60.6938 -300.787 GPRESSURE: 2719600 486.482 -121.858 -95.2511 -173.334 -126.226 -22.765 -75.6648 81.9956 -233.206 PRESSAVG: 2719600 60.3273 -55.2238 -23.0633 -55.2239 17.441 62.4856 -23.0633 62.4856 -7.81912 GPRESSAVG: 2719600 59.5861 -55.5635 -23.2905 -55.8181 18.2762 63.9416 -23.7946 60.9432 -8.02801 TIMING: 2719600 CPU: 8596.63, 0.00317088/step Wall: 8596.63, 0.00317088/step, 2.00858 hours remaining, 238.613281 MB of memory in use. ENERGY: 2719600 4034.3608 20564.0141 14463.3739 253.4143 -203870.3414 2819.5076 0.0000 0.0000 52004.5086 -109731.1620 298.8706 -161735.6706 -109366.4639 299.3585 12.4962 42.3501 758937.0490 23.3164 23.2781 PRESSURE: 2719800 35.2218 -149.317 135.755 -149.317 137.288 110.838 135.756 110.838 -452.573 GPRESSURE: 2719800 151.72 -145.417 166.678 -151.823 89.2615 113.639 221.666 -7.62593 -424.989 PRESSAVG: 2719800 31.6207 -34.6585 20.5302 -34.6586 -32.1567 -21.5666 20.5301 -21.5666 -11.11 GPRESSAVG: 2719800 32.8084 -34.3251 22.2469 -34.9787 -33.006 -21.8908 21.0598 -21.0766 -11.4858 TIMING: 2719800 CPU: 8597.26, 0.0031435/step Wall: 8597.26, 0.0031435/step, 1.99106 hours remaining, 238.613281 MB of memory in use. ENERGY: 2719800 4031.3521 20426.4702 14508.0137 247.5010 -203463.0117 2557.2096 0.0000 0.0000 51966.9858 -109725.4792 298.6550 -161692.4651 -109365.3032 298.8619 -93.3545 -61.3357 760649.1693 -3.8820 -3.8945 PRESSURE: 2720000 41.8134 -157.937 -71.6111 -157.938 -160.514 -94.6676 -71.6101 -94.6688 205.092 GPRESSURE: 2720000 66.6933 -52.9088 -54.176 -156.842 -66.1004 -12.3309 -109.993 -11.7519 154.141 PRESSAVG: 2720000 53.6204 -105.9 -5.73878 -105.9 -49.2423 31.8122 -5.73876 31.8122 -25.5499 GPRESSAVG: 2720000 53.5466 -105.732 -5.06455 -105.401 -48.7005 32.4191 -6.02313 31.684 -25.8408 TIMING: 2720000 CPU: 8597.89, 0.0031521/step Wall: 8597.89, 0.0031521/step, 1.99633 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2720000 4045.1519 20532.6838 14444.4210 250.2147 -202933.0228 2217.8373 0.0000 0.0000 51792.2704 -109650.4438 297.6509 -161442.7142 -109301.8079 298.4978 28.7973 51.5779 760603.6623 -7.0573 -6.9983 PRESSURE: 2720200 444.029 4.14995 11.7105 4.1507 -33.5403 -146.975 11.7097 -146.975 106.12 GPRESSURE: 2720200 422.356 -69.0381 -50.9803 20.7857 34.0981 -150.781 -71.7209 -226.004 125.832 PRESSAVG: 2720200 26.2107 -51.2113 -26.3137 -51.2113 -19.7671 37.8856 -26.3137 37.8856 5.90648 GPRESSAVG: 2720200 25.4302 -50.7376 -28.3396 -52.5651 -20.3939 38.2277 -26.1862 37.1339 6.56212 TIMING: 2720200 CPU: 8598.52, 0.00314431/step Wall: 8598.52, 0.00314431/step, 1.99122 hours remaining, 238.613281 MB of memory in use. ENERGY: 2720200 3940.9677 20511.1829 14560.0571 256.0533 -203566.8614 2637.9248 0.0000 0.0000 52009.9366 -109650.7390 298.9018 -161660.6756 -109299.4922 299.1867 172.2028 194.0954 759831.6747 4.1167 3.8661 LDB: ============= START OF LOAD BALANCING ============== 8610.91 LDB: ============== END OF LOAD BALANCING =============== 8610.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8610.92 LDB: ============= START OF LOAD BALANCING ============== 8611.23 LDB: Largest compute 7056 load 0.035204 is 18.0% of average load 0.196114 LDB: Average compute 0.004369 is 2.2% of average load 0.196114 LDB: TIME 8611.24 LOAD: AVG 0.196114 MAX 0.218299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 8611.24 LOAD: AVG 0.196114 MAX 0.218299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 8611.24 LOAD: AVG 0.196114 MAX 0.218299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: ============== END OF LOAD BALANCING =============== 8611.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8611.24 PRESSURE: 2720400 109.789 -138.465 -26.2332 -138.465 -153.995 -249.405 -26.2328 -249.404 146.618 GPRESSURE: 2720400 172.306 -106.425 -63.6043 -294.292 -140.406 -121.072 -89.0082 -175.938 161.749 PRESSAVG: 2720400 61.7697 -39.1298 -26.8097 -39.1297 -38.0956 14.5432 -26.8096 14.5433 -7.19072 GPRESSAVG: 2720400 62.0474 -40.1051 -26.491 -36.6913 -37.3457 15.077 -26.5136 15.1532 -7.62479 TIMING: 2720400 CPU: 8599.16, 0.00322417/step Wall: 8599.16, 0.00322417/step, 2.04162 hours remaining, 239.378906 MB of memory in use. ENERGY: 2720400 4004.2280 20364.9743 14465.0108 244.3720 -203695.2580 2752.0029 0.0000 0.0000 52138.1205 -109726.5495 299.6385 -161864.6700 -109363.3804 298.6171 34.1374 64.5497 759461.6273 5.4945 5.6923 PRESSURE: 2720600 -26.4695 -36.1252 296.737 -36.1252 -109.366 -22.045 296.737 -22.0455 351.055 GPRESSURE: 2720600 10.3116 -47.4408 232.663 6.32337 -36.4646 -52.8182 328.431 5.66154 321.584 PRESSAVG: 2720600 36.6553 -40.3719 -20.8242 -40.3719 -31.3081 -28.8801 -20.8242 -28.8801 -4.131 GPRESSAVG: 2720600 37.0355 -39.6721 -20.1288 -40.511 -30.1629 -29.8258 -23.5274 -28.0862 -5.32021 TIMING: 2720600 CPU: 8599.79, 0.00315366/step Wall: 8599.79, 0.00315366/step, 1.99679 hours remaining, 239.582031 MB of memory in use. ENERGY: 2720600 3973.7515 20488.0610 14549.2651 238.4462 -203418.5245 2487.9766 0.0000 0.0000 51995.8857 -109685.1384 298.8211 -161681.0241 -109327.5174 299.0994 71.7397 98.4769 759765.6695 0.4054 0.5174 PRESSURE: 2720800 -179.401 51.7719 -186.06 51.7721 288.608 6.42539 -186.06 6.42492 204.977 GPRESSURE: 2720800 -156.226 -94.1942 -184.026 111.609 297.21 31.6748 -94.0242 -0.753376 256.698 PRESSAVG: 2720800 34.7665 -69.8034 -18.753 -69.8034 19.3432 20.0384 -18.753 20.0383 16.111 GPRESSAVG: 2720800 34.1808 -70.7032 -18.3057 -70.5558 19.4603 19.7962 -16.8892 20.1673 17.1254 TIMING: 2720800 CPU: 8600.42, 0.00314506/step Wall: 8600.42, 0.00314506/step, 1.99117 hours remaining, 239.582031 MB of memory in use. ENERGY: 2720800 3904.5668 20655.8072 14501.2696 257.8479 -203283.2008 2576.9379 0.0000 0.0000 51716.6166 -109670.1548 297.2161 -161386.7714 -109316.7688 299.0031 104.7281 132.5607 760399.1562 23.4069 23.5888 PRESSURE: 2721000 239.674 -40.9047 -82.5976 -40.9045 157.245 146.247 -82.5973 146.247 310.612 GPRESSURE: 2721000 316.381 13.3155 -33.2569 -50.9191 172.325 175.251 -126.741 245.357 316.964 PRESSAVG: 2721000 12.7646 -20.0527 9.34483 -20.0528 48.348 -14.086 9.34487 -14.086 19.9622 GPRESSAVG: 2721000 14.1319 -18.7346 8.624 -20.3675 46.7137 -13.5826 9.47351 -12.956 19.97 TIMING: 2721000 CPU: 8601.05, 0.00314126/step Wall: 8601.05, 0.00314126/step, 1.98859 hours remaining, 239.582031 MB of memory in use. ENERGY: 2721000 3873.7011 20512.8450 14623.7601 242.6265 -203517.8165 2610.4414 0.0000 0.0000 51980.4945 -109673.9479 298.7326 -161654.4423 -109316.3155 299.0890 235.8438 268.5567 759374.3462 27.0250 26.9386 PRESSURE: 2721200 16.5765 -90.4261 -56.0185 -90.4263 -154.293 96.7977 -56.0187 96.7984 -221.093 GPRESSURE: 2721200 87.9188 -25.9962 -60.176 7.08656 -66.8356 126.444 -8.98275 -6.13853 -287.288 PRESSAVG: 2721200 -4.20926 -47.9222 37.5597 -47.9223 -14.0529 3.67171 37.5597 3.67174 -13.6642 GPRESSAVG: 2721200 -4.24614 -47.4747 38.8931 -46.0681 -13.1611 2.63944 37.0395 1.351 -14.5039 TIMING: 2721200 CPU: 8601.68, 0.0031531/step Wall: 8601.68, 0.0031531/step, 1.99591 hours remaining, 239.582031 MB of memory in use. ENERGY: 2721200 4038.6417 20450.0601 14497.8390 250.5903 -203538.4220 2685.8027 0.0000 0.0000 51936.2295 -109679.2588 298.4782 -161615.4883 -109326.8799 298.8589 -119.6032 -88.7349 760510.3167 -10.6421 -10.6370 PRESSURE: 2721400 30.37 -90.5216 155.714 -90.5214 161.492 -79.7345 155.714 -79.7352 -258.949 GPRESSURE: 2721400 -18.7151 -122.361 109.683 -172.545 230.926 -31.0067 200.792 -141.807 -197.332 PRESSAVG: 2721400 -52.9823 -36.6274 -15.1566 -36.6275 -28.0512 30.278 -15.1565 30.278 10.2272 GPRESSAVG: 2721400 -52.3439 -38.4322 -18.932 -38.0069 -29.3582 30.311 -15.0805 30.989 11.0995 TIMING: 2721400 CPU: 8602.31, 0.00315946/step Wall: 8602.31, 0.00315946/step, 1.99976 hours remaining, 239.582031 MB of memory in use. ENERGY: 2721400 3958.7261 20398.1707 14469.6958 245.3957 -203469.5828 2583.2275 0.0000 0.0000 51987.5322 -109826.8348 298.7731 -161814.3669 -109460.2019 298.6999 -22.3626 4.9595 762491.6169 -23.6021 -23.5342 PRESSURE: 2721600 36.8702 -23.1124 146.621 -23.112 436.428 -194.59 146.62 -194.591 51.8823 GPRESSURE: 2721600 77.1704 -23.5733 85.4996 -53.0027 417.338 -239.088 171.196 -64.3895 131.667 PRESSAVG: 2721600 7.47163 -73.061 12.9555 -73.0609 16.9201 -7.58531 12.9555 -7.58533 16.1016 GPRESSAVG: 2721600 7.12728 -74.9284 15.2749 -70.7099 17.9732 -6.9407 11.7806 -7.00385 15.0204 TIMING: 2721600 CPU: 8602.94, 0.00316525/step Wall: 8602.94, 0.00316525/step, 2.00325 hours remaining, 239.582031 MB of memory in use. ENERGY: 2721600 3965.2120 20277.4020 14451.7687 259.3329 -203156.6567 2468.3462 0.0000 0.0000 52004.3968 -109730.1982 298.8700 -161734.5950 -109372.1629 298.7145 175.0602 208.7251 761523.0799 13.4978 13.3736 PRESSURE: 2721800 119.035 157.487 128.354 157.487 40.3825 99.9149 128.355 99.9145 358.925 GPRESSURE: 2721800 213.762 156.7 101.781 40.3189 68.3891 135.483 175.868 180.937 325.408 PRESSAVG: 2721800 -37.8269 -45.5583 8.936 -45.5583 25.7396 -63.7853 8.93598 -63.7853 28.2744 GPRESSAVG: 2721800 -37.3144 -43.5543 11.6023 -47.0008 25.7917 -62.859 8.96368 -64.5305 27.7697 TIMING: 2721800 CPU: 8603.57, 0.00315068/step Wall: 8603.57, 0.00315068/step, 1.99385 hours remaining, 239.582031 MB of memory in use. ENERGY: 2721800 3950.9088 20476.7967 14432.7901 232.8253 -203766.5476 2717.5510 0.0000 0.0000 52053.4751 -109902.2006 299.1520 -161955.6757 -109544.7440 298.4580 172.7809 202.5197 760431.3170 5.3957 5.4157 PRESSURE: 2722000 -309.729 -169.003 -4.05169 -169.003 -156.751 209.547 -4.05265 209.547 340.685 GPRESSURE: 2722000 -260 -170.198 -36.1854 -60.1063 -128.616 108.915 39.0228 299.166 357.065 PRESSAVG: 2722000 -19.8144 -5.62056 28.3014 -5.62052 33.4245 -7.49115 28.3014 -7.49111 5.83249 GPRESSAVG: 2722000 -20.5137 -5.81218 25.9644 -6.05678 33.714 -8.5094 30.7791 -8.59029 6.97946 TIMING: 2722000 CPU: 8604.21, 0.00316409/step Wall: 8604.21, 0.00316409/step, 2.00216 hours remaining, 239.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2722000 3921.4414 20540.0767 14489.7859 239.7212 -203417.2752 2639.9118 0.0000 0.0000 51965.4714 -109620.8668 298.6463 -161586.3382 -109257.2823 298.8885 -41.9318 -10.5170 761862.0183 6.4809 6.7266 PRESSURE: 2722200 200.158 159.247 -2.95555 159.248 -35.2726 57.7953 -2.9556 57.7946 174.811 GPRESSURE: 2722200 222.955 226.886 -43.47 198.899 -7.80047 85.2478 -75.9335 100.906 199.286 PRESSAVG: 2722200 -56.5641 -39.8608 38.9024 -39.8608 -0.00205954 -19.3737 38.9024 -19.3737 4.86464 GPRESSAVG: 2722200 -57.4793 -41.2174 38.2985 -39.1288 -0.223892 -18.4737 37.3109 -18.8378 5.58231 TIMING: 2722200 CPU: 8604.84, 0.00316171/step Wall: 8604.84, 0.00316171/step, 2.00048 hours remaining, 239.582031 MB of memory in use. ENERGY: 2722200 3943.3071 20410.0080 14498.5498 246.7830 -203667.3440 2803.9232 0.0000 0.0000 51908.3560 -109856.4168 298.3180 -161764.7729 -109499.7733 298.5343 113.2320 138.1469 761432.6951 -17.2338 -17.3736 PRESSURE: 2722400 -189.673 194.268 -170.377 194.269 -70.0045 -124.012 -170.377 -124.011 381.888 GPRESSURE: 2722400 -151.103 149.262 -174.315 221.956 -38.6266 -125.278 -76.0092 -59.1347 393.282 PRESSAVG: 2722400 51.9726 -52.2721 -15.3267 -52.2722 -76.5255 -16.2296 -15.3268 -16.2295 -5.87778 GPRESSAVG: 2722400 52.6793 -50.6691 -13.4909 -55.3051 -76.75 -17.6384 -16.7945 -15.9604 -6.30902 TIMING: 2722400 CPU: 8605.47, 0.00315465/step Wall: 8605.47, 0.00315465/step, 1.99584 hours remaining, 239.582031 MB of memory in use. ENERGY: 2722400 4034.4908 20405.7800 14500.7312 231.5452 -203906.0823 2724.8325 0.0000 0.0000 51941.2471 -110067.4556 298.5071 -162008.7027 -109702.0166 297.9414 40.7367 67.8508 760350.2608 -10.1436 -10.1266 PRESSURE: 2722600 320.391 -194.515 -4.72688 -194.515 116.86 12.7146 -4.72678 12.7153 124.782 GPRESSURE: 2722600 265.784 -123.672 -20.9219 -150.704 201.461 12.1766 -1.60405 2.61671 191.487 PRESSAVG: 2722600 42.474 -72.4489 9.31931 -72.449 12.9326 33.5287 9.31933 33.5287 6.74007 GPRESSAVG: 2722600 43.1079 -75.2032 7.45988 -70.2149 12.5901 34.1696 11.4301 34.3177 7.11889 TIMING: 2722600 CPU: 8606.1, 0.0031564/step Wall: 8606.1, 0.0031564/step, 1.99678 hours remaining, 239.582031 MB of memory in use. ENERGY: 2722600 3958.0532 20400.5898 14515.7367 260.5042 -203561.5831 2747.4892 0.0000 0.0000 51877.9768 -109801.2331 298.1434 -161679.2100 -109438.2512 298.2404 187.3444 219.5773 760775.3138 20.7156 20.9390 PRESSURE: 2722800 -405.132 67.6068 -84.1668 67.6058 -240.828 -40.0415 -84.1676 -40.041 -10.4239 GPRESSURE: 2722800 -315.28 48.9502 -185.865 47.0947 -223.834 -55.8603 -103.233 -8.30502 -26.2534 PRESSAVG: 2722800 -33.5934 -48.0977 18.1126 -48.0978 20.595 -14.3481 18.1125 -14.348 4.65031 GPRESSAVG: 2722800 -33.9442 -44.7098 19.0361 -46.3304 21.4898 -14.8083 15.3398 -13.5508 4.1254 TIMING: 2722800 CPU: 8606.73, 0.00315288/step Wall: 8606.73, 0.00315288/step, 1.99437 hours remaining, 239.582031 MB of memory in use. ENERGY: 2722800 3981.4223 20426.1450 14493.9573 250.0439 -203543.6328 2656.1027 0.0000 0.0000 51776.3287 -109959.6329 297.5593 -161735.9616 -109595.8588 298.3391 -218.7948 -188.4558 762288.8659 -2.7827 -2.7763 PRESSURE: 2723000 113.615 -20.1253 -89.6684 -20.1245 -12.925 119.373 -89.668 119.374 1.504 GPRESSURE: 2723000 153.661 -114.261 24.2556 52.2132 51.3646 176.604 -68.5919 95.4384 -25.9514 PRESSAVG: 2723000 35.7116 -68.3431 24.855 -68.3431 -62.2671 4.14902 24.8549 4.14909 1.76309 GPRESSAVG: 2723000 36.591 -69.6273 25.8638 -70.6597 -62.8763 3.48655 27.3512 4.28872 2.08484 TIMING: 2723000 CPU: 8607.36, 0.0031402/step Wall: 8607.36, 0.0031402/step, 1.98618 hours remaining, 239.582031 MB of memory in use. ENERGY: 2723000 4018.9118 20510.2077 14509.7416 225.8044 -203664.3427 2790.7337 0.0000 0.0000 52018.5038 -109590.4396 298.9511 -161608.9434 -109231.0131 298.8609 34.0648 59.6915 759486.6594 -8.2641 -8.0668 PRESSURE: 2723200 86.8715 -211.02 24.8879 -211.02 158.542 66.0967 24.8873 66.0963 59.6729 GPRESSURE: 2723200 126.966 -178.3 62.1445 -178.228 214.605 145.501 103.343 -155.202 47.3176 PRESSAVG: 2723200 -18.6347 -49.1272 14.9879 -49.1272 -35.9884 26.0036 14.988 26.0036 1.86301 GPRESSAVG: 2723200 -18.5961 -47.3959 15.7429 -48.6065 -35.9091 27.9516 13.8599 24.5785 1.61904 TIMING: 2723200 CPU: 8607.99, 0.00314367/step Wall: 8607.99, 0.00314367/step, 1.98819 hours remaining, 239.582031 MB of memory in use. ENERGY: 2723200 4003.2952 20302.3245 14557.6438 243.4406 -203717.1747 2712.4725 0.0000 0.0000 52232.3620 -109665.6361 300.1801 -161897.9981 -109308.2182 298.9141 101.6955 129.6295 758647.4233 -17.5867 -17.6287 PRESSURE: 2723400 -36.4678 47.5919 40.7924 47.5922 319.549 1.36993 40.793 1.37133 -218.125 GPRESSURE: 2723400 43.1119 16.7576 68.5702 155.298 284.856 25.0338 -22.325 23.0629 -184.594 PRESSAVG: 2723400 -35.4984 -61.0524 5.5636 -61.0524 62.6736 9.52783 5.56364 9.52787 -15.2495 GPRESSAVG: 2723400 -37.0985 -64.8178 3.69362 -59.6601 63.3615 8.84967 4.36129 9.4994 -14.6772 TIMING: 2723400 CPU: 8608.62, 0.00313455/step Wall: 8608.62, 0.00313455/step, 1.98225 hours remaining, 239.582031 MB of memory in use. ENERGY: 2723400 3989.5440 20523.4536 14490.8534 222.0003 -203499.3842 2598.9705 0.0000 0.0000 51835.7705 -109838.7918 297.9009 -161674.5623 -109461.3273 298.4631 21.6521 47.7914 761147.1293 3.9752 3.8619 PRESSURE: 2723600 -189.612 234.368 14.8402 234.368 -242.639 68.5454 14.8416 68.5446 43.4268 GPRESSURE: 2723600 -76.9405 175.063 26.2499 151.107 -231.813 34.8879 18.0438 143.189 6.72254 PRESSAVG: 2723600 -25.3544 -64.5896 3.63185 -64.5896 -6.0318 29.1588 3.63192 29.1587 -2.55348 GPRESSAVG: 2723600 -24.5995 -61.775 4.0924 -66.0621 -7.21156 27.2173 5.49402 30.5404 -1.97676 TIMING: 2723600 CPU: 8609.24, 0.00314199/step Wall: 8609.24, 0.00314199/step, 1.98678 hours remaining, 239.582031 MB of memory in use. ENERGY: 2723600 4049.9795 20564.5038 14471.8801 261.2221 -203458.0852 2584.5066 0.0000 0.0000 51882.4667 -109643.5264 298.1692 -161525.9931 -109284.1657 298.9233 -129.6083 -100.6770 760582.1361 -11.3132 -11.2626 PRESSURE: 2723800 -663.349 -34.4468 103.254 -34.4473 -100.731 27.3225 103.254 27.3219 208.979 GPRESSURE: 2723800 -591.959 -18.3209 151.427 50.5797 -58.0324 124.859 12.9139 42.1793 176.328 PRESSAVG: 2723800 16.3236 -141.225 -48.4981 -141.225 -15.2176 32.788 -48.4981 32.788 11.7181 GPRESSAVG: 2723800 16.36 -142.776 -49.2903 -139.079 -15.1939 34.252 -47.2533 32.0612 11.5683 TIMING: 2723800 CPU: 8609.88, 0.00315127/step Wall: 8609.88, 0.00315127/step, 1.99248 hours remaining, 239.582031 MB of memory in use. ENERGY: 2723800 4073.1852 20547.5430 14494.6821 253.2585 -202839.2851 2113.6281 0.0000 0.0000 51864.1743 -109492.8140 298.0641 -161356.9883 -109131.9971 298.7142 -185.0338 -157.8878 761786.7978 4.2747 4.2448 PRESSURE: 2724000 62.8808 133.946 -193.25 133.947 -238.6 24.3071 -193.251 24.3079 34.9049 GPRESSURE: 2724000 106.725 148.687 -137.382 135.44 -195.437 -49.0939 -304.686 -28.6682 15.4043 PRESSAVG: 2724000 -48.9642 -55.6705 -19.5503 -55.6704 57.4787 -24.117 -19.5503 -24.117 7.26483 GPRESSAVG: 2724000 -49.0889 -57.9261 -18.618 -55.2205 58.4283 -23.5612 -22.3838 -24.418 6.3149 TIMING: 2724000 CPU: 8610.51, 0.00315247/step Wall: 8610.51, 0.00315247/step, 1.99306 hours remaining, 239.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2724000 3946.9275 20400.1435 14545.6778 233.4291 -202995.2647 2203.4270 0.0000 0.0000 52204.1225 -109461.5373 300.0178 -161665.6598 -109097.5400 298.9367 -46.9380 -24.4361 762906.5855 5.2598 5.2181 PRESSURE: 2724200 83.7942 4.15702 311.973 4.15754 93.5251 -423.202 311.972 -423.202 -261.518 GPRESSURE: 2724200 200.284 44.6367 256.45 41.7363 20.2619 -415.96 287.32 -368.502 -226.567 PRESSAVG: 2724200 -28.8182 -21.7357 -45.3333 -21.7357 26.3056 -21.9806 -45.3333 -21.9806 -13.6217 GPRESSAVG: 2724200 -28.1799 -19.116 -46.5418 -24.0278 24.3583 -22.9012 -43.2371 -21.4385 -12.2064 TIMING: 2724200 CPU: 8611.14, 0.00316965/step Wall: 8611.14, 0.00316965/step, 2.00375 hours remaining, 239.582031 MB of memory in use. ENERGY: 2724200 4049.9292 20508.0461 14505.0553 214.7886 -203252.6696 2537.7760 0.0000 0.0000 52075.1005 -109361.9739 299.2763 -161437.0744 -109004.4634 299.1673 -28.0663 -2.0071 763899.1115 -5.3781 -5.3427 LDB: ============= START OF LOAD BALANCING ============== 8623.54 LDB: ============== END OF LOAD BALANCING =============== 8623.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8623.54 LDB: ============= START OF LOAD BALANCING ============== 8623.85 LDB: Largest compute 7058 load 0.034428 is 17.6% of average load 0.195947 LDB: Average compute 0.004382 is 2.2% of average load 0.195947 LDB: TIME 8623.86 LOAD: AVG 0.195947 MAX 0.215764 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 8623.86 LOAD: AVG 0.195947 MAX 0.215764 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 8623.86 LOAD: AVG 0.195947 MAX 0.215764 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 8623.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8623.86 PRESSURE: 2724400 -82.2897 45.1803 -92.8103 45.18 70.9358 43.8208 -92.8109 43.8202 135.093 GPRESSURE: 2724400 -81.3962 33.2257 -3.23902 92.9114 169.367 79.7236 -71.542 -22.8544 136.057 PRESSAVG: 2724400 -19.1526 -5.4609 -12.1527 -5.46093 -1.8569 -36.4505 -12.1527 -36.4506 3.99566 GPRESSAVG: 2724400 -19.9695 -5.99856 -10.4886 -4.14847 -0.746185 -35.441 -15.3296 -38.6939 3.3475 TIMING: 2724400 CPU: 8611.78, 0.0032032/step Wall: 8611.78, 0.0032032/step, 2.02478 hours remaining, 239.636719 MB of memory in use. ENERGY: 2724400 3949.4024 20619.9286 14484.3440 246.3833 -203229.6758 2610.3666 0.0000 0.0000 52026.6145 -109292.6363 298.9977 -161319.2508 -108934.2112 299.4291 41.2463 74.6757 762849.6645 -5.6713 -5.7894 PRESSURE: 2724600 -28.8803 -131.241 -9.54856 -131.241 -481.269 -142.131 -9.54898 -142.131 1.69469 GPRESSURE: 2724600 -149.379 -103.108 -28.5054 -210.474 -358.122 -155.075 -110.185 -147.877 77.2626 PRESSAVG: 2724600 -8.80896 -43.2924 -19.6573 -43.2924 4.75493 -44.9276 -19.6573 -44.9274 -14.7661 GPRESSAVG: 2724600 -9.54158 -42.1444 -20.3169 -43.9317 4.8803 -43.9804 -17.5005 -42.8815 -14.4439 TIMING: 2724600 CPU: 8612.41, 0.00317165/step Wall: 8612.41, 0.00317165/step, 2.00466 hours remaining, 239.839844 MB of memory in use. ENERGY: 2724600 4020.6312 20624.3798 14581.5712 220.7496 -202980.7638 2362.7370 0.0000 0.0000 51853.8696 -109316.8255 298.0049 -161170.6950 -108967.1449 299.5279 -169.4850 -143.4127 763200.4519 -6.2734 -6.3684 PRESSURE: 2724800 150.681 -37.7229 -13.4596 -37.7227 -233.369 -32.4261 -13.4599 -32.4266 72.7752 GPRESSURE: 2724800 142.993 -170.159 12.7833 84.3723 -100.628 -27.7499 -96.4031 36.2822 34.8339 PRESSAVG: 2724800 10.3082 -5.80122 -12.4826 -5.80128 1.85852 -11.4651 -12.4825 -11.4652 2.46162 GPRESSAVG: 2724800 11.8188 -6.88132 -10.992 -6.01335 2.20317 -11.0074 -12.5457 -10.8845 0.775341 TIMING: 2724800 CPU: 8613.04, 0.00313958/step Wall: 8613.04, 0.00313958/step, 1.98421 hours remaining, 239.839844 MB of memory in use. ENERGY: 2724800 3998.4056 20539.5986 14505.8508 264.9906 -203259.1996 2679.1891 0.0000 0.0000 52192.9266 -109078.2383 299.9535 -161271.1649 -108716.1770 299.6968 -3.3044 25.7331 762310.4854 4.8761 4.9324 PRESSURE: 2725000 -116.214 -143.604 -0.899168 -143.603 273.859 229.877 -0.899113 229.878 79.4864 GPRESSURE: 2725000 -46.7822 -94.4656 78.4643 -53.2709 287.998 217.234 -159.461 136.253 99.6111 PRESSAVG: 2725000 19.2829 -7.22969 21.0625 -7.22974 -24.7187 85.0338 21.0625 85.0338 2.16683 GPRESSAVG: 2725000 18.4725 -6.31126 19.9049 -7.22588 -25.2821 85.1306 18.1994 83.2453 3.28075 TIMING: 2725000 CPU: 8613.67, 0.00315868/step Wall: 8613.67, 0.00315868/step, 1.99611 hours remaining, 239.839844 MB of memory in use. ENERGY: 2725000 4039.3160 20447.6942 14496.8447 243.7437 -203012.9790 2581.4668 0.0000 0.0000 51902.1067 -109301.8070 298.2821 -161203.9136 -108949.4425 299.8356 79.0440 113.6090 762174.9910 -1.0897 -1.1763 PRESSURE: 2725200 -210.617 61.2659 57.5011 61.2659 462.464 203.835 57.5008 203.834 136.754 GPRESSURE: 2725200 -120.327 -2.77756 96.8188 62.7904 444.502 198.184 121.514 181.987 133.446 PRESSAVG: 2725200 -26.8735 -15.385 34.1347 -15.3851 46.8399 -14.801 34.1347 -14.801 -19.172 GPRESSAVG: 2725200 -25.3447 -15.8461 32.9549 -15.9143 45.6285 -16.6949 34.3528 -16.0942 -19.5492 TIMING: 2725200 CPU: 8614.3, 0.00315076/step Wall: 8614.3, 0.00315076/step, 1.99093 hours remaining, 239.839844 MB of memory in use. ENERGY: 2725200 3929.8631 20345.2328 14524.2255 245.9945 -203095.1502 2662.0890 0.0000 0.0000 52213.6027 -109174.1426 300.0723 -161387.7453 -108809.5718 299.1850 129.5337 152.5404 761558.5771 0.2648 0.2449 PRESSURE: 2725400 139.21 72.1129 -189.042 72.1126 17.6104 -193.706 -189.043 -193.706 421.943 GPRESSURE: 2725400 63.7328 -7.79448 -161.384 15.1732 133.593 -61.7954 1.8517 -150.597 468.533 PRESSAVG: 2725400 -5.94929 5.1743 -9.28322 5.17437 -1.22654 9.58948 -9.28318 9.58943 5.14266 GPRESSAVG: 2725400 -7.1584 4.69079 -10.0813 4.84158 0.147647 11.2918 -4.78624 11.1941 5.46282 TIMING: 2725400 CPU: 8614.93, 0.00315128/step Wall: 8614.93, 0.00315128/step, 1.99108 hours remaining, 239.839844 MB of memory in use. ENERGY: 2725400 3901.4867 20558.8173 14503.5307 241.9300 -203146.3930 2645.4122 0.0000 0.0000 52251.2399 -109043.9762 300.2886 -161295.2162 -108688.2073 300.0756 192.9210 221.9529 762873.1850 -0.6777 -0.5160 PRESSURE: 2725600 -303.363 68.5011 96.4556 68.5002 -278.417 -4.97189 96.4559 -4.97176 -18.1625 GPRESSURE: 2725600 -201.149 -23.702 34.602 -4.68275 -296.695 -10.5849 58.9581 68.7761 -17.8299 PRESSAVG: 2725600 32.9013 -88.1898 42.9546 -88.1898 -49.7096 19.0847 42.9547 19.0846 4.75389 GPRESSAVG: 2725600 32.8614 -87.0936 44.0112 -89.866 -49.1678 18.0539 40.4758 20.4933 4.70682 TIMING: 2725600 CPU: 8615.56, 0.00313933/step Wall: 8615.56, 0.00313933/step, 1.98336 hours remaining, 239.839844 MB of memory in use. ENERGY: 2725600 3982.9487 20409.1854 14464.4534 246.7127 -202736.2024 2275.2421 0.0000 0.0000 52319.4902 -109038.1699 300.6808 -161357.6601 -108680.2549 299.9454 -199.9809 -171.8913 762929.9404 -4.0181 -3.8665 PRESSURE: 2725800 -78.1497 -56.0152 142.18 -56.0146 67.0316 68.9495 142.18 68.9497 34.0638 GPRESSURE: 2725800 -88.326 18.0773 171.24 -84.9198 131.975 52.4274 94.3011 95.2072 63.3339 PRESSAVG: 2725800 -40.0466 -33.0411 6.01578 -33.041 4.80134 -46.4791 6.01577 -46.4791 11.7055 GPRESSAVG: 2725800 -40.2995 -33.8628 6.48358 -31.5793 4.86235 -46.6067 7.45859 -47.9275 11.2346 TIMING: 2725800 CPU: 8616.19, 0.00313267/step Wall: 8616.19, 0.00313267/step, 1.97898 hours remaining, 239.839844 MB of memory in use. ENERGY: 2725800 4047.4111 20434.9024 14516.7470 235.6459 -203008.3528 2566.2812 0.0000 0.0000 52200.0713 -109007.2939 299.9945 -161207.3652 -108633.0265 299.7974 7.6485 35.6610 761968.3238 -7.8466 -8.0675 PRESSURE: 2726000 -43.7052 248.651 30.5246 248.651 -103.926 59.0405 30.5256 59.0402 110.837 GPRESSURE: 2726000 -12.0789 153.025 23.7366 189.277 -98.9252 61.1179 24.296 -9.62681 158.621 PRESSAVG: 2726000 -18.8094 -25.1487 40.4241 -25.1487 6.28526 -28.193 40.4241 -28.1931 -10.9482 GPRESSAVG: 2726000 -19.0235 -23.1284 40.5105 -25.9569 6.33309 -28.7219 37.3335 -27.8506 -10.6573 TIMING: 2726000 CPU: 8616.82, 0.00314815/step Wall: 8616.82, 0.00314815/step, 1.98858 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2726000 4003.5168 20631.7867 14465.4719 245.6563 -203081.2099 2504.4653 0.0000 0.0000 52156.5642 -109073.7486 299.7445 -161230.3129 -108715.7795 300.0234 -12.2650 15.8724 761890.7625 -7.8241 -7.7826 PRESSURE: 2726200 169.625 -85.7881 19.6895 -85.7888 226.988 -133.783 19.689 -133.784 155.417 GPRESSURE: 2726200 307.281 43.6744 12.4542 -212.079 212.792 -92.3328 -30.9958 -181.047 115.649 PRESSAVG: 2726200 -27.0463 -15.6396 48.8864 -15.6396 65.3434 -5.79359 48.8863 -5.79369 1.28849 GPRESSAVG: 2726200 -24.5385 -16.9736 48.098 -15.4373 63.6182 -5.04307 49.4213 -7.64003 0.508108 TIMING: 2726200 CPU: 8617.45, 0.00314422/step Wall: 8617.45, 0.00314422/step, 1.98592 hours remaining, 239.839844 MB of memory in use. ENERGY: 2726200 3950.8911 20685.2640 14517.4100 256.5221 -203215.8011 2495.9090 0.0000 0.0000 52014.7239 -109295.0809 298.9293 -161309.8048 -108938.2357 300.2591 184.0098 211.9073 760494.4168 13.1952 13.1959 PRESSURE: 2726400 -209.529 -16.8279 5.35262 -16.8281 62.8075 152.198 5.35241 152.198 68.4922 GPRESSURE: 2726400 -61.3661 -106.533 80.6016 9.60101 25.3244 164.83 -27.333 157.561 50.3386 PRESSAVG: 2726400 -40.4351 -15.5562 13.7245 -15.5562 43.0594 15.1328 13.7245 15.1327 -27.4384 GPRESSAVG: 2726400 -41.9864 -14.9161 15.5655 -14.2274 44.2806 13.1291 14.0266 17.8362 -27.0353 TIMING: 2726400 CPU: 8618.08, 0.00315437/step Wall: 8618.08, 0.00315437/step, 1.99216 hours remaining, 239.839844 MB of memory in use. ENERGY: 2726400 3924.2928 20514.3948 14486.9647 253.7510 -202821.7821 2116.2931 0.0000 0.0000 52259.3771 -109266.7086 300.3354 -161526.0857 -108890.3255 300.0277 -26.0764 4.7657 760881.7216 -8.2713 -8.2470 PRESSURE: 2726600 294.74 -152.912 -14.5349 -152.912 161.851 -107.885 -14.5343 -107.885 129.688 GPRESSURE: 2726600 231.951 -161.17 29.687 -57.4364 181.691 -154.454 -4.10154 -82.0804 240.362 PRESSAVG: 2726600 -20.6534 -48.5615 10.1742 -48.5615 61.5555 17.4678 10.1742 17.4678 -0.7041 GPRESSAVG: 2726600 -21.0402 -49.0267 8.50678 -47.2327 60.9198 18.4471 11.5719 16.5435 0.0529219 TIMING: 2726600 CPU: 8618.71, 0.00314107/step Wall: 8618.71, 0.00314107/step, 1.98359 hours remaining, 239.839844 MB of memory in use. ENERGY: 2726600 3922.9736 20643.7062 14504.2848 238.8724 -203222.0838 2493.0608 0.0000 0.0000 52027.6977 -109391.4882 299.0039 -161419.1860 -109034.4901 299.6578 195.4264 218.0012 759975.1133 13.3993 13.3109 PRESSURE: 2726800 14.1051 -21.1735 -152.405 -21.1739 373.055 -37.9167 -152.406 -37.9185 -142.79 GPRESSURE: 2726800 57.1977 -11.3498 -182.152 -35.4926 409.273 24.1289 -118.562 -61.5325 -139.862 PRESSAVG: 2726800 -34.2716 -45.0143 -4.83275 -45.0144 14.9691 -21.3073 -4.83272 -21.3072 -10.3934 GPRESSAVG: 2726800 -34.2663 -43.9149 -6.42665 -46.6816 16.3642 -18.922 -4.37919 -22.0797 -11.6421 TIMING: 2726800 CPU: 8619.34, 0.00314714/step Wall: 8619.34, 0.00314714/step, 1.98724 hours remaining, 239.839844 MB of memory in use. ENERGY: 2726800 3970.8505 20342.5504 14570.1269 245.6866 -203489.3012 2463.1943 0.0000 0.0000 52589.2876 -109307.6050 302.2314 -161896.8926 -108934.8258 299.2909 81.4568 108.8695 760035.3786 -9.8986 -9.8480 PRESSURE: 2727000 -174.059 -124.073 78.259 -124.072 255.732 57.4547 78.2591 57.4542 -185.975 GPRESSURE: 2727000 -17.2027 -112.818 119.488 -173.179 216.208 16.849 -21.104 -11.5786 -199.393 PRESSAVG: 2727000 -25.8734 -34.3022 21.6786 -34.3022 54.5877 32.5763 21.6786 32.5763 -6.93086 GPRESSAVG: 2727000 -25.0137 -36.1687 23.1086 -32.5795 54.2709 29.4086 20.1914 33.8773 -7.63926 TIMING: 2727000 CPU: 8619.97, 0.00315273/step Wall: 8619.97, 0.00315273/step, 1.9906 hours remaining, 239.839844 MB of memory in use. ENERGY: 2727000 4018.9197 20560.4324 14478.9988 245.0552 -203182.6865 2510.9621 0.0000 0.0000 52034.8919 -109333.4264 299.0452 -161368.3183 -108972.9201 299.4023 -34.7673 -0.1292 761631.9144 7.2612 7.2060 PRESSURE: 2727200 106.612 35.7099 375.808 35.7104 -106.843 -88.6922 375.809 -88.6918 53.7163 GPRESSURE: 2727200 105.742 162.635 365.052 15.0773 -43.1976 -180.009 300.422 -116.441 81.0882 PRESSAVG: 2727200 34.8394 -76.6421 23.3719 -76.6421 2.17222 -58.1965 23.3719 -58.1965 13.6291 GPRESSAVG: 2727200 35.291 -75.7092 24.7222 -78.0917 1.63297 -57.6031 25.2644 -58.2095 13.6678 TIMING: 2727200 CPU: 8620.6, 0.00314516/step Wall: 8620.6, 0.00314516/step, 1.98565 hours remaining, 239.839844 MB of memory in use. ENERGY: 2727200 3906.4020 20640.5082 14551.0138 258.4055 -203564.3297 2767.3458 0.0000 0.0000 52299.2683 -109141.3862 300.5646 -161440.6545 -108775.4211 299.7869 17.8285 47.8775 761900.3382 16.8802 16.8639 PRESSURE: 2727400 424.902 186.075 -53.0395 186.075 -117.731 54.8725 -53.0398 54.8723 193.06 GPRESSURE: 2727400 503.581 141.673 -62.2008 133.119 -143.815 -48.4688 -88.1412 -25.1082 221.22 PRESSAVG: 2727400 38.12 -59.6559 53.1458 -59.6558 -45.7149 -16.6634 53.1458 -16.6634 -11.5808 GPRESSAVG: 2727400 36.6653 -59.5528 51.9657 -59.3546 -45.7918 -16.2501 51.5399 -18.444 -10.8655 TIMING: 2727400 CPU: 8621.22, 0.00314493/step Wall: 8621.22, 0.00314493/step, 1.98532 hours remaining, 239.839844 MB of memory in use. ENERGY: 2727400 3981.9373 20703.7793 14580.0190 274.5034 -203663.8029 2690.2961 0.0000 0.0000 52278.4878 -109154.7800 300.4452 -161433.2678 -108787.6181 300.2265 166.7439 193.6619 761150.1923 -6.3919 -6.6640 PRESSURE: 2727600 -238.558 -199.369 78.0073 -199.369 -300.369 178.773 78.0065 178.774 49.4901 GPRESSURE: 2727600 -230.135 -118.311 98.309 -302.307 -272.638 246.011 113.091 157.606 91.5256 PRESSAVG: 2727600 18.2583 -89.222 20.4464 -89.222 -5.04678 8.34497 20.4464 8.34499 -7.60113 GPRESSAVG: 2727600 18.0256 -89.1248 21.6446 -86.9334 -5.4872 8.03477 21.8378 9.7049 -6.85098 TIMING: 2727600 CPU: 8621.86, 0.00316192/step Wall: 8621.86, 0.00316192/step, 1.99587 hours remaining, 239.839844 MB of memory in use. ENERGY: 2727600 3977.7834 20466.7336 14519.2069 253.0115 -202736.5587 2308.8767 0.0000 0.0000 52025.5505 -109185.3962 298.9916 -161210.9467 -108830.1676 300.1938 -163.1456 -137.0826 761934.0673 1.8701 1.8958 PRESSURE: 2727800 250.982 -146.801 104.943 -146.802 -298.401 -74.7927 104.943 -74.7934 -247.989 GPRESSURE: 2727800 355.629 -125.971 58.1823 -149.568 -328.097 6.05271 106.363 -87.2495 -229.02 PRESSAVG: 2727800 16.0406 -52.1205 24.8605 -52.1205 -57.5436 24.4868 24.8604 24.4868 9.38269 GPRESSAVG: 2727800 17.1596 -54.4909 24.4446 -53.939 -57.2982 25.1202 24.5872 25.4119 7.91793 TIMING: 2727800 CPU: 8622.49, 0.00314613/step Wall: 8622.49, 0.00314613/step, 1.98573 hours remaining, 239.839844 MB of memory in use. ENERGY: 2727800 4014.1577 20508.1137 14527.2857 277.5879 -203426.4349 2551.1609 0.0000 0.0000 52263.6183 -109284.5107 300.3597 -161548.1289 -108918.5686 300.0478 -98.4692 -67.1628 760087.8368 -10.7068 -10.7402 PRESSURE: 2728000 116.821 -40.8554 55.9059 -40.8558 -201.437 -30.5499 55.9051 -30.5493 126.174 GPRESSURE: 2728000 102.045 8.6456 34.5975 -79.5834 -148.176 32.0392 -3.1145 -151.803 175.87 PRESSAVG: 2728000 26.8587 -50.1302 4.37822 -50.1303 -22.5781 -15.634 4.37824 -15.634 16.986 GPRESSAVG: 2728000 26.9045 -46.7181 3.89481 -53.0819 -22.1848 -15.9404 3.42915 -16.7718 16.5412 TIMING: 2728000 CPU: 8623.11, 0.00314409/step Wall: 8623.11, 0.00314409/step, 1.98427 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2728000 3994.1104 20583.4041 14497.7890 283.8762 -203364.0421 2443.3562 0.0000 0.0000 52128.1049 -109433.4012 299.5809 -161561.5061 -109066.8111 299.9793 13.8524 43.2462 762579.5280 7.0888 7.0870 PRESSURE: 2728200 -73.6975 -125.255 127.879 -125.255 -165.106 127.435 127.88 127.435 -211.135 GPRESSURE: 2728200 -109.508 3.8132 95.2568 -128.365 -134.824 207.688 235.15 136.838 -125.125 PRESSAVG: 2728200 32.7777 -32.9469 17.9932 -32.9469 -75.5241 4.09931 17.9932 4.09937 1.80562 GPRESSAVG: 2728200 32.3447 -34.9438 17.0346 -31.7863 -76.5634 4.70803 18.4149 2.98376 2.90288 TIMING: 2728200 CPU: 8623.74, 0.00314904/step Wall: 8623.74, 0.00314904/step, 1.98722 hours remaining, 239.839844 MB of memory in use. ENERGY: 2728200 3974.7311 20573.9912 14545.3886 226.3913 -203275.8298 2393.2432 0.0000 0.0000 52088.0069 -109474.0775 299.3505 -161562.0844 -109126.1831 299.3631 -149.9793 -123.1524 761241.6421 -13.6469 -13.7719 LDB: ============= START OF LOAD BALANCING ============== 8636.14 LDB: ============== END OF LOAD BALANCING =============== 8636.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8636.14 LDB: ============= START OF LOAD BALANCING ============== 8636.46 LDB: Largest compute 7058 load 0.033997 is 17.3% of average load 0.196023 LDB: Average compute 0.004385 is 2.2% of average load 0.196023 LDB: TIME 8636.46 LOAD: AVG 0.196023 MAX 0.217765 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 8636.46 LOAD: AVG 0.196023 MAX 0.217765 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 8636.46 LOAD: AVG 0.196023 MAX 0.217765 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 8636.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8636.47 PRESSURE: 2728400 32.0957 -105.521 143.804 -105.52 -43.1496 -182.418 143.804 -182.418 -58.3416 GPRESSURE: 2728400 11.0314 -96.9105 122.289 -138.399 54.8706 -121.851 -54.978 -124.402 -73.4154 PRESSAVG: 2728400 25.9623 -20.4554 44.2838 -20.4554 -56.1256 15.5274 44.2837 15.5274 7.93861 GPRESSAVG: 2728400 25.4812 -20.2573 45.8191 -19.0452 -55.7567 14.2625 41.6146 16.1674 8.52069 TIMING: 2728400 CPU: 8624.38, 0.00319862/step Wall: 8624.38, 0.00319862/step, 2.01833 hours remaining, 237.332031 MB of memory in use. ENERGY: 2728400 4011.2294 20614.9524 14492.8716 249.6322 -203452.0053 2508.1733 0.0000 0.0000 52118.8639 -109456.2825 299.5278 -161575.1464 -109082.8440 299.5176 -23.1318 -2.5045 761710.4373 -7.4082 -7.2516 PRESSURE: 2728600 86.2069 -202.508 51.0295 -202.508 -745.38 110.02 51.0294 110.019 251.258 GPRESSURE: 2728600 147.65 -228.953 66.2309 -135.233 -684.326 56.7181 39.0186 30.8021 209.595 PRESSAVG: 2728600 65.4845 -72.5701 26.6969 -72.57 -36.6304 -47.9154 26.6969 -47.9154 3.74915 GPRESSAVG: 2728600 65.1737 -75.0871 25.2383 -73.3758 -35.8786 -48.4871 28.6858 -48.4702 2.68495 TIMING: 2728600 CPU: 8625.01, 0.00314948/step Wall: 8625.01, 0.00314948/step, 1.98715 hours remaining, 237.332031 MB of memory in use. ENERGY: 2728600 3934.8509 20749.7307 14433.2054 246.3076 -203345.8890 2420.1098 0.0000 0.0000 52056.5900 -109505.0946 299.1699 -161561.6845 -109152.4379 299.7878 -135.9717 -109.0270 761567.9268 10.8677 10.6600 PRESSURE: 2728800 -261.849 -115.463 156.705 -115.464 133.028 -109.357 156.705 -109.357 -1.13054 GPRESSURE: 2728800 -224.816 -39.691 141.692 -111.873 187.031 -57.4295 102.145 -69.2799 8.6039 PRESSAVG: 2728800 40.6369 -44.285 17.8634 -44.285 -42.301 15.4878 17.8634 15.4879 4.91207 GPRESSAVG: 2728800 40.168 -42.7781 19.5214 -44.7547 -41.1972 17.8059 18.1973 17.5872 4.8533 TIMING: 2728800 CPU: 8625.65, 0.00316776/step Wall: 8625.65, 0.00316776/step, 1.9985 hours remaining, 237.332031 MB of memory in use. ENERGY: 2728800 3984.2316 20632.8506 14494.6035 225.7269 -203524.2419 2485.2283 0.0000 0.0000 52151.5480 -109550.0530 299.7157 -161701.6010 -109190.6640 299.5023 -43.3172 -9.7269 761471.0100 1.0827 1.2747 PRESSURE: 2729000 138.286 -1.79177 173.732 -1.79227 109.594 4.02495 173.733 4.02461 -102.617 GPRESSURE: 2729000 137.426 -58.5906 147.932 -19.0401 146.563 -46.8651 221.414 93.3076 -45.6414 PRESSAVG: 2729000 10.4014 -43.6015 1.99377 -43.6015 -5.1185 -0.223121 1.99374 -0.223141 -2.61665 GPRESSAVG: 2729000 10.2634 -43.5077 2.91572 -44.3095 -7.43413 -1.61302 1.38709 -0.966422 -1.14824 TIMING: 2729000 CPU: 8626.28, 0.00315817/step Wall: 8626.28, 0.00315817/step, 1.99228 hours remaining, 237.332031 MB of memory in use. ENERGY: 2729000 4031.5726 20442.7741 14519.1049 261.7636 -203494.3620 2556.5062 0.0000 0.0000 52177.9978 -109504.6429 299.8677 -161682.6407 -109137.3279 299.4565 48.4209 79.4491 761468.3199 0.8887 0.5603 PRESSURE: 2729200 17.509 -135.58 -159.578 -135.58 141.78 56.4309 -159.578 56.4318 308.431 GPRESSURE: 2729200 175.366 -101.483 -149.729 -137.857 181.457 -27.6556 -80.6877 51.6131 220.779 PRESSAVG: 2729200 -11.8627 -4.18687 21.7543 -4.18689 0.921577 8.59597 21.7544 8.59595 3.16465 GPRESSAVG: 2729200 -10.2467 -2.62483 20.5673 -4.08555 1.39807 8.43694 23.3498 7.737 1.41239 TIMING: 2729200 CPU: 8626.91, 0.00314508/step Wall: 8626.91, 0.00314508/step, 1.98385 hours remaining, 237.332031 MB of memory in use. ENERGY: 2729200 3958.5479 20550.4044 14470.1212 245.3192 -203579.3797 2728.4895 0.0000 0.0000 52278.0403 -109348.4572 300.4426 -161626.4976 -108993.6942 299.6238 155.9066 192.5340 761756.4690 -2.5922 -2.4787 PRESSURE: 2729400 56.1703 -84.6467 59.1891 -84.6469 -26.6346 54.8375 59.1893 54.8377 -228.146 GPRESSURE: 2729400 112.95 -89.6595 111.427 -120.488 10.0665 122.014 83.0922 -23.9305 -237.512 PRESSAVG: 2729400 75.9945 9.68973 24.3676 9.68965 -104.382 5.88434 24.3676 5.88439 2.43738 GPRESSAVG: 2729400 75.6389 8.87672 25.1286 10.1559 -103.956 6.58039 23.5481 5.81487 2.85043 TIMING: 2729400 CPU: 8627.54, 0.003159/step Wall: 8627.54, 0.003159/step, 1.99245 hours remaining, 237.332031 MB of memory in use. ENERGY: 2729400 3930.1045 20547.3397 14460.5592 235.5461 -203317.5304 2443.5434 0.0000 0.0000 52344.4324 -109356.0052 300.8242 -161700.4376 -108992.1407 299.5880 -66.2035 -38.1652 761846.0591 -8.6501 -8.4888 PRESSURE: 2729600 -209.989 -92.2743 -19.1621 -92.2752 -404.919 315.139 -19.1613 315.139 -96.5814 GPRESSURE: 2729600 -145.922 -113.93 -37.1299 -111.405 -302.082 253.566 45.9335 241.302 -178.677 PRESSAVG: 2729600 31.3181 -42.5364 7.01914 -42.5364 -46.3498 -30.2275 7.0192 -30.2276 -0.67168 GPRESSAVG: 2729600 31.6884 -43.6972 6.69295 -43.6491 -46.8822 -30.2967 8.11551 -30.7041 -0.350941 TIMING: 2729600 CPU: 8628.17, 0.0031507/step Wall: 8628.17, 0.0031507/step, 1.98704 hours remaining, 237.332031 MB of memory in use. ENERGY: 2729600 4026.1184 20742.4858 14520.9783 238.6312 -203095.4509 2234.4726 0.0000 0.0000 52023.3971 -109309.3675 298.9792 -161332.7646 -108956.2828 299.7210 -237.1631 -208.8935 760824.5764 -5.2344 -5.1816 PRESSURE: 2729800 -193.748 4.70384 63.0197 4.70357 84.6986 143.082 63.0191 143.083 -76.9451 GPRESSURE: 2729800 -188.735 225.853 51.8167 7.4439 114.41 109.05 1.67644 80.9893 -42.5676 PRESSAVG: 2729800 31.7731 50.3886 22.2316 50.3885 6.99274 30.5503 22.2316 30.5502 0.457901 GPRESSAVG: 2729800 30.7785 51.4955 20.5604 50.0333 7.44225 30.6695 21.6726 31.1104 0.3234 TIMING: 2729800 CPU: 8628.8, 0.0031512/step Wall: 8628.8, 0.0031512/step, 1.98718 hours remaining, 237.332031 MB of memory in use. ENERGY: 2729800 4010.0013 20485.3180 14543.1231 249.5523 -203097.6329 2128.9780 0.0000 0.0000 52251.9822 -109428.6781 300.2929 -161680.6603 -109073.7492 299.9560 -61.9982 -38.9642 759687.3081 13.0746 12.8480 PRESSURE: 2730000 242.144 41.4907 139.626 41.4897 -116.855 -45.0162 139.625 -45.0169 154.407 GPRESSURE: 2730000 226.275 18.477 154.958 138.26 -35.034 -72.272 201.345 -19.7637 181.367 PRESSAVG: 2730000 19.4048 28.8913 -3.61377 28.8913 -30.5929 10.8316 -3.6138 10.8317 10.9708 GPRESSAVG: 2730000 20.2887 27.7951 -1.84684 30.1405 -31.5082 10.6605 -4.67771 11.2819 11.5234 TIMING: 2730000 CPU: 8629.43, 0.00315026/step Wall: 8629.43, 0.00315026/step, 1.98641 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2730000 3974.8484 20549.1385 14490.8414 252.4385 -203343.5480 2545.2300 0.0000 0.0000 52423.6278 -109107.4234 301.2793 -161531.0512 -108756.4336 300.1457 93.2321 124.2026 758510.2561 -0.0724 0.1013 PRESSURE: 2730200 -395.771 -106.601 -233.843 -106.601 10.379 -119.917 -233.843 -119.917 284.122 GPRESSURE: 2730200 -319.712 -62.3023 -179.777 -76.1666 -6.56402 -62.1773 -235.144 -99.6143 314.036 PRESSAVG: 2730200 13.8925 14.7013 15.593 14.7012 -55.3506 -1.15823 15.593 -1.15827 -0.285362 GPRESSAVG: 2730200 13.7677 14.5064 15.5935 13.5322 -54.8558 -2.10786 14.2088 -1.8032 -0.322503 TIMING: 2730200 CPU: 8630.06, 0.00314812/step Wall: 8630.06, 0.00314812/step, 1.98489 hours remaining, 237.332031 MB of memory in use. ENERGY: 2730200 3982.2977 20602.5875 14466.2744 244.6147 -202831.2586 2255.3346 0.0000 0.0000 52113.6205 -109166.5293 299.4977 -161280.1498 -108794.8462 300.3248 -33.7566 -4.0800 761329.4335 -13.9145 -13.8035 PRESSURE: 2730400 141.308 -20.7142 -13.6524 -20.7143 319.972 21.3376 -13.6526 21.3386 -40.1716 GPRESSURE: 2730400 134.879 -88.5179 -73.2542 -39.0698 402.069 3.53865 77.5664 89.0409 -14.3065 PRESSAVG: 2730400 25.51 -70.1989 -12.7352 -70.199 -5.81535 -31.6747 -12.7352 -31.6746 13.2013 GPRESSAVG: 2730400 25.2843 -69.603 -14.4645 -68.9238 -5.93923 -30.4786 -7.86543 -33.1336 12.6558 TIMING: 2730400 CPU: 8630.7, 0.0031743/step Wall: 8630.7, 0.0031743/step, 2.00122 hours remaining, 237.332031 MB of memory in use. ENERGY: 2730400 3960.4911 20488.3426 14587.0369 254.6399 -203451.5661 2681.1256 0.0000 0.0000 52245.1696 -109234.7604 300.2537 -161479.9300 -108858.7058 300.0031 140.3695 174.2139 759552.4450 10.9653 10.6670 PRESSURE: 2730600 -332.311 127.028 283.78 127.027 -94.1267 28.4907 283.779 28.4902 217.815 GPRESSURE: 2730600 -227.987 54.3694 300.841 -22.2024 -87.5215 -1.57507 250.631 121.717 185.479 PRESSAVG: 2730600 24.9451 -5.72711 67.1749 -5.72717 -21.0876 4.71675 67.1749 4.71677 -0.349177 GPRESSAVG: 2730600 24.5765 -4.25802 66.9282 -7.77424 -20.5531 4.64695 67.0159 6.02043 -0.62554 TIMING: 2730600 CPU: 8631.33, 0.00315569/step Wall: 8631.33, 0.00315569/step, 1.98931 hours remaining, 237.332031 MB of memory in use. ENERGY: 2730600 3946.0888 20509.1130 14463.8851 240.9456 -202643.4400 1941.3995 0.0000 0.0000 52156.6227 -109385.3854 299.7448 -161542.0080 -109020.4466 299.6601 -69.5411 -43.3433 761484.9732 1.1694 1.1326 PRESSURE: 2730800 359.112 216.361 49.1589 216.361 81.2707 120.134 49.1591 120.135 -5.96511 GPRESSURE: 2730800 254.343 212.905 83.6236 181.915 190.928 127.548 -13.0577 271.395 82.9 PRESSAVG: 2730800 1.81169 -12.7059 120.89 -12.7059 12.9949 28.3118 120.89 28.3118 6.50175 GPRESSAVG: 2730800 1.33772 -12.4411 121.673 -10.8484 12.1064 27.8362 118.309 29.8705 7.26708 TIMING: 2730800 CPU: 8631.96, 0.00315509/step Wall: 8631.96, 0.00315509/step, 1.98876 hours remaining, 237.332031 MB of memory in use. ENERGY: 2730800 3970.6588 20524.5371 14443.5155 261.4941 -203110.8150 2374.6381 0.0000 0.0000 52104.7812 -109431.1901 299.4469 -161535.9713 -109072.3905 298.9014 144.8060 176.0572 760171.6712 7.1028 6.9037 PRESSURE: 2731000 190.096 82.2081 110.091 82.2084 -382.468 -25.2373 110.091 -25.2366 -117.193 GPRESSURE: 2731000 185.612 98.559 104.219 -44.3988 -317.509 -108.577 97.8044 108.654 -110.236 PRESSAVG: 2731000 -15.2183 -15.3116 41.2064 -15.3116 -14.2146 31.3183 41.2064 31.3182 -14.641 GPRESSAVG: 2731000 -15.7177 -16.9354 40.356 -14.991 -12.424 30.6558 41.9321 31.76 -15.9564 TIMING: 2731000 CPU: 8632.59, 0.00314782/step Wall: 8632.59, 0.00314782/step, 1.984 hours remaining, 237.332031 MB of memory in use. ENERGY: 2731000 3949.8545 20423.7164 14534.8767 254.8708 -202972.9213 2213.2423 0.0000 0.0000 52132.2695 -109464.0910 299.6049 -161596.3605 -109095.8616 299.3711 -103.1882 -80.7110 760317.7645 -14.6913 -14.6994 PRESSURE: 2731200 -63.6293 -29.6609 150.549 -29.6603 83.7563 103.091 150.549 103.092 114.902 GPRESSURE: 2731200 -1.78491 -93.2753 80.3937 -77.5168 117.714 130.717 226.793 75.5647 111.327 PRESSAVG: 2731200 21.6627 -45.4158 -26.4348 -45.4158 6.08304 20.9808 -26.4349 20.9809 21.0203 GPRESSAVG: 2731200 20.3871 -47.5163 -25.2482 -44.8862 4.94514 20.267 -26.6699 20.1118 23.0122 TIMING: 2731200 CPU: 8633.22, 0.00315618/step Wall: 8633.22, 0.00315618/step, 1.98909 hours remaining, 237.332031 MB of memory in use. ENERGY: 2731200 3907.6434 20492.3395 14544.1515 257.8005 -203467.3292 2691.5036 0.0000 0.0000 52041.6653 -109532.2255 299.0842 -161573.8908 -109169.3079 299.4366 45.0096 75.7520 759282.0212 16.2553 16.1148 PRESSURE: 2731400 -27.2446 -176.844 -113.538 -176.845 29.916 181.602 -113.539 181.601 177.801 GPRESSURE: 2731400 -5.36823 -124.93 -114.503 -224.147 113.47 119.831 -177.683 116.847 154.555 PRESSAVG: 2731400 -54.737 -37.1473 -4.94116 -37.1474 37.7172 -17.9691 -4.94114 -17.9691 18.9707 GPRESSAVG: 2731400 -53.0418 -35.4128 -6.44162 -38.6049 37.3917 -16.4591 -4.12728 -21.4483 18.2854 TIMING: 2731400 CPU: 8633.85, 0.00315815/step Wall: 8633.85, 0.00315815/step, 1.99016 hours remaining, 237.332031 MB of memory in use. ENERGY: 2731400 4037.1139 20492.4242 14492.5403 244.5965 -203373.1991 2522.8728 0.0000 0.0000 52182.0877 -109401.5638 299.8912 -161583.6515 -109028.7059 299.0047 60.1575 87.5525 761368.2483 0.6503 0.8784 PRESSURE: 2731600 -82.6868 94.134 131.731 94.1342 -296.513 52.1579 131.732 52.1576 301.209 GPRESSURE: 2731600 -79.597 73.9007 137.365 76.9156 -189.405 -56.037 79.3841 -11.0204 283.997 PRESSAVG: 2731600 6.40457 -42.4327 -64.3285 -42.4327 12.7251 -26.1762 -64.3285 -26.1762 -2.61317 GPRESSAVG: 2731600 6.91621 -40.3767 -63.7147 -41.9432 12.635 -26.4356 -64.6319 -24.4139 -2.98618 TIMING: 2731600 CPU: 8634.48, 0.00316338/step Wall: 8634.48, 0.00316338/step, 1.99328 hours remaining, 237.332031 MB of memory in use. ENERGY: 2731600 3977.1252 20473.5513 14464.2643 252.6973 -203088.7999 2493.5733 0.0000 0.0000 52091.5005 -109336.0881 299.3706 -161427.5886 -108968.5423 300.1015 -25.9972 4.9984 762016.6570 5.5055 5.5217 PRESSURE: 2731800 -436.482 -136.366 59.3041 -136.366 -94.494 -27.5533 59.3037 -27.5536 337.667 GPRESSURE: 2731800 -451.74 -77.329 216.606 4.85599 -15.5459 58.0325 122.355 -117.177 345.365 PRESSAVG: 2731800 -9.52827 -51.7496 14.6799 -51.7495 27.1756 5.50773 14.68 5.50779 -2.10384 GPRESSAVG: 2731800 -10.4123 -52.8902 15.7834 -52.7099 27.6134 5.7839 13.7102 7.16189 -1.89726 TIMING: 2731800 CPU: 8635.11, 0.00314393/step Wall: 8635.11, 0.00314393/step, 1.98085 hours remaining, 237.332031 MB of memory in use. ENERGY: 2731800 4009.9594 20505.2755 14580.5572 216.5272 -202959.4654 2084.2305 0.0000 0.0000 52252.8409 -109310.0746 300.2978 -161562.9156 -108946.6116 299.6052 -64.4363 -40.6403 760936.6298 5.1812 5.1013 PRESSURE: 2732000 674.339 -74.5233 -174.372 -74.5229 105.153 97.2609 -174.372 97.2603 394.932 GPRESSURE: 2732000 644.634 -140.343 -167.093 -71.4667 185.976 146.504 -110.483 117.358 424.694 PRESSAVG: 2732000 -0.0912567 -44.8446 -28.0429 -44.8446 -17.8024 43.9487 -28.043 43.9486 27.9677 GPRESSAVG: 2732000 2.03458 -44.6868 -27.5266 -44.4184 -18.6386 46.3918 -26.6082 41.9476 27.3375 TIMING: 2732000 CPU: 8635.74, 0.0031465/step Wall: 8635.74, 0.0031465/step, 1.98229 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2732000 3924.1324 20654.9963 14525.6588 243.0400 -203120.1143 2687.3922 0.0000 0.0000 52036.0076 -109048.8869 299.0517 -161084.8945 -108686.7083 300.1665 391.4747 418.4347 761404.7679 3.3580 3.5778 PRESSURE: 2732200 -47.612 211.835 -106.525 211.835 -58.9902 89.1329 -106.525 89.1329 122.92 GPRESSURE: 2732200 -68.3149 164.392 -91.3255 193.76 80.3069 57.0173 -200.497 184.538 102.606 PRESSAVG: 2732200 32.7619 -11.5188 -11.0326 -11.5188 -37.3668 56.3246 -11.0327 56.3246 18.1141 GPRESSAVG: 2732200 30.5508 -12.0659 -11.2778 -12.1068 -36.095 53.8056 -12.6019 57.9222 19.0069 TIMING: 2732200 CPU: 8636.38, 0.0031723/step Wall: 8636.38, 0.0031723/step, 1.99837 hours remaining, 237.332031 MB of memory in use. ENERGY: 2732200 3953.4786 20449.2909 14504.6170 263.9329 -203360.8436 2724.6329 0.0000 0.0000 52455.0963 -109009.7949 301.4602 -161464.8912 -108641.4557 300.0774 5.4393 38.1992 761902.9259 4.5031 4.4876 LDB: ============= START OF LOAD BALANCING ============== 8648.78 LDB: ============== END OF LOAD BALANCING =============== 8648.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8648.78 LDB: ============= START OF LOAD BALANCING ============== 8649.09 LDB: Largest compute 7058 load 0.032559 is 16.6% of average load 0.196063 LDB: Average compute 0.004364 is 2.2% of average load 0.196063 LDB: TIME 8649.1 LOAD: AVG 0.196063 MAX 0.216921 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 8649.1 LOAD: AVG 0.196063 MAX 0.216921 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 8649.1 LOAD: AVG 0.196063 MAX 0.216921 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8649.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8649.1 PRESSURE: 2732400 385.169 -116.235 -107.668 -116.234 177.944 255.21 -107.669 255.208 -130.618 GPRESSURE: 2732400 384.851 -17.2432 4.41144 8.22374 251.081 280.566 -36.9296 350.022 -110.599 PRESSAVG: 2732400 21.3357 -38.7815 44.7268 -38.7814 -45.6661 43.4074 44.7268 43.4073 12.7071 GPRESSAVG: 2732400 22.7658 -37.3952 43.9838 -38.5597 -47.1297 44.133 44.9478 42.0786 12.2791 TIMING: 2732400 CPU: 8637.02, 0.00323637/step Wall: 8637.02, 0.00323637/step, 2.03855 hours remaining, 238.867188 MB of memory in use. ENERGY: 2732400 3973.5181 20620.1054 14514.9070 239.5847 -203064.4163 2458.1987 0.0000 0.0000 52185.3164 -109072.7859 299.9097 -161258.1023 -108709.6864 300.5106 144.1651 175.1109 761626.4963 -3.8744 -4.0283 PRESSURE: 2732600 -200.676 194.422 -156.15 194.422 -233.628 65.2039 -156.15 65.204 -251.908 GPRESSURE: 2732600 -231.837 74.3616 -160.84 45.0791 -110.59 167.562 -115.734 7.89143 -260.657 PRESSAVG: 2732600 24.4012 35.4097 1.05892 35.4097 -20.3509 9.80624 1.05894 9.80633 14.0862 GPRESSAVG: 2732600 24.4085 34.9314 0.113701 33.6495 -18.952 9.88463 -0.783156 10.374 13.2773 TIMING: 2732600 CPU: 8637.66, 0.00316724/step Wall: 8637.66, 0.00316724/step, 1.99483 hours remaining, 239.070312 MB of memory in use. ENERGY: 2732600 4089.6578 20653.2086 14493.0596 244.4312 -203368.4787 2236.9144 0.0000 0.0000 52399.4361 -109251.7710 301.1403 -161651.2072 -108887.5511 300.0069 -228.7375 -201.0276 763787.1313 6.0455 6.2446 PRESSURE: 2732800 -102.699 70.0097 -62.8986 70.0101 -211.662 196.302 -62.8976 196.302 -209.579 GPRESSURE: 2732800 -68.2985 57.1881 -105.417 56.267 -153.619 201.97 -8.19321 95.4358 -219.725 PRESSAVG: 2732800 -8.02179 24.1406 8.84524 24.1407 -8.42003 16.0307 8.8452 16.0307 3.24202 GPRESSAVG: 2732800 -6.80468 22.4307 9.3714 26.3558 -8.91886 14.4468 12.7981 16.5567 2.83194 TIMING: 2732800 CPU: 8638.29, 0.00317981/step Wall: 8638.29, 0.00317981/step, 2.00258 hours remaining, 239.070312 MB of memory in use. ENERGY: 2732800 4047.6463 20493.8656 14498.0344 230.0591 -203404.4349 2473.0178 0.0000 0.0000 52239.8062 -109422.0056 300.2229 -161661.8118 -109065.7685 299.7267 -174.6466 -147.2143 760714.6366 -4.3999 -4.2972 PRESSURE: 2733000 47.961 81.5809 -12.6083 81.5811 -110.318 -184.033 -12.6079 -184.033 -232.045 GPRESSURE: 2733000 8.39838 214.681 -66.092 15.7497 -36.145 -201.73 -27.1362 -219.694 -188.219 PRESSAVG: 2733000 -17.0311 35.2893 -30.4968 35.2893 6.48987 -2.87997 -30.4968 -2.87998 -26.2261 GPRESSAVG: 2733000 -18.5297 37.1712 -29.2933 34.8767 6.16606 -1.56923 -34.341 -4.18338 -24.6962 TIMING: 2733000 CPU: 8638.92, 0.00315248/step Wall: 8638.92, 0.00315248/step, 1.98519 hours remaining, 239.070312 MB of memory in use. ENERGY: 2733000 3914.2848 20477.5743 14534.7549 250.4807 -202976.3181 2251.8935 0.0000 0.0000 52076.1681 -109471.1619 299.2825 -161547.3300 -109110.9513 299.5699 -98.1338 -71.9887 761462.8608 -12.2558 -12.3533 PRESSURE: 2733200 245.728 21.7079 -163.208 21.7076 -201.923 -26.649 -163.208 -26.6484 -235.493 GPRESSURE: 2733200 314.548 70.8698 -47.7719 148.505 -234.075 -42.0534 -111.781 50.9678 -187.948 PRESSAVG: 2733200 -20.4905 5.89059 8.25263 5.89061 25.1387 -35.1261 8.25258 -35.126 11.6307 GPRESSAVG: 2733200 -20.5514 6.68711 7.4529 6.24918 25.3579 -34.6279 9.87851 -37.2546 11.8854 TIMING: 2733200 CPU: 8639.55, 0.00316185/step Wall: 8639.55, 0.00316185/step, 1.99091 hours remaining, 239.070312 MB of memory in use. ENERGY: 2733200 3994.3736 20558.2512 14521.4099 235.6683 -203236.3374 2727.8894 0.0000 0.0000 51798.9770 -109399.7680 297.6894 -161198.7450 -109036.5395 299.1921 -63.8960 -35.8249 763235.4461 5.4263 5.5640 PRESSURE: 2733400 122.912 47.6867 100.14 47.6872 -220.275 87.0038 100.139 87.0037 -100.824 GPRESSURE: 2733400 125.216 31.3231 79.281 68.6729 -132.926 58.4371 109.372 156.993 -120.214 PRESSAVG: 2733400 -0.506415 45.142 38.8165 45.142 18.1693 4.20285 38.8165 4.20293 1.62807 GPRESSAVG: 2733400 -0.0507099 42.7152 39.215 46.7795 19.0173 3.43186 36.9308 6.25397 0.344938 TIMING: 2733400 CPU: 8640.18, 0.00314764/step Wall: 8640.18, 0.00314764/step, 1.98179 hours remaining, 239.070312 MB of memory in use. ENERGY: 2733400 4032.7362 20653.9773 14531.5980 235.2217 -203257.5375 2393.3196 0.0000 0.0000 52081.4446 -109329.2402 299.3128 -161410.6848 -108966.0520 299.6119 -66.0621 -42.6412 760187.8924 6.4303 6.4372 PRESSURE: 2733600 144.523 -34.6336 38.196 -34.6348 343.354 121.073 38.1959 121.073 -125.274 GPRESSURE: 2733600 159.319 -17.822 31.2327 -41.3858 312.089 25.0561 50.1593 235.185 -22.1394 PRESSAVG: 2733600 -2.8333 -28.9872 57.1188 -28.9872 30.4114 30.9081 57.1189 30.9082 18.6956 GPRESSAVG: 2733600 -2.09951 -26.772 55.5878 -31.0694 28.3936 31.3585 59.6285 32.2723 20.1799 TIMING: 2733600 CPU: 8640.82, 0.00316735/step Wall: 8640.82, 0.00316735/step, 1.99403 hours remaining, 239.070312 MB of memory in use. ENERGY: 2733600 3895.3268 20544.0073 14525.4742 239.8333 -203517.0278 2661.3211 0.0000 0.0000 52123.4556 -109527.6095 299.5542 -161651.0651 -109165.3401 299.4118 120.8681 149.7563 759849.6657 15.4246 15.4913 PRESSURE: 2733800 -24.4402 168.031 82.7429 168.031 -167.223 62.4602 82.7419 62.4596 -139.92 GPRESSURE: 2733800 -20.7823 162.271 140.269 157.342 -79.5391 76.2328 108.801 -65.841 -143.671 PRESSAVG: 2733800 -44.0047 -25.493 47.8682 -25.4929 0.0277649 -1.57666 47.8681 -1.5767 5.37721 GPRESSAVG: 2733800 -44.3064 -27.5425 49.6762 -25.4245 0.700447 -2.33447 44.4267 -2.46469 5.07548 TIMING: 2733800 CPU: 8641.45, 0.00315793/step Wall: 8641.45, 0.00315793/step, 1.98792 hours remaining, 239.070312 MB of memory in use. ENERGY: 2733800 3958.8399 20509.3888 14562.5635 269.2189 -203371.1135 2326.8947 0.0000 0.0000 52292.0740 -109452.1336 300.5233 -161744.2076 -109096.1871 299.3610 -110.5278 -81.3307 761501.7504 -12.8666 -12.8435 PRESSURE: 2734000 95.153 -77.5962 -283.925 -77.5958 -83.6888 -146.238 -283.925 -146.237 -85.6128 GPRESSURE: 2734000 40.5344 -17.6515 -314.401 -55.0574 55.5956 -137.898 -130.658 -133.538 -87.8398 PRESSAVG: 2734000 10.4068 -49.3486 -17.5699 -49.3486 6.88365 -7.79329 -17.5699 -7.79317 12.3 GPRESSAVG: 2734000 9.51013 -48.751 -17.6385 -49.3716 7.90023 -8.88655 -14.462 -7.58474 12.2729 TIMING: 2734000 CPU: 8642.08, 0.00315768/step Wall: 8642.08, 0.00315768/step, 1.98758 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2734000 4046.8685 20554.0273 14522.6512 237.0134 -203422.6368 2573.5855 0.0000 0.0000 52102.5675 -109385.9234 299.4342 -161488.4909 -109019.6520 299.2842 -24.7162 2.7634 761184.9213 9.8635 9.8944 PRESSURE: 2734200 -28.1109 78.4439 26.3048 78.4443 184.372 -173.813 26.3049 -173.814 -242.249 GPRESSURE: 2734200 98.3267 59.1537 97.4576 118.048 90.1627 -157.89 49.8094 -247.978 -167.277 PRESSAVG: 2734200 27.3727 -21.1066 2.42846 -21.1066 -13.9415 -36.5004 2.42845 -36.5004 13.2065 GPRESSAVG: 2734200 28.9088 -20.0204 2.76026 -21.5617 -14.8536 -35.0745 2.50994 -35.7242 12.6049 TIMING: 2734200 CPU: 8642.72, 0.00318572/step Wall: 8642.72, 0.00318572/step, 2.00506 hours remaining, 239.070312 MB of memory in use. ENERGY: 2734200 4018.3871 20643.1857 14513.9027 263.2115 -203257.6237 2562.7859 0.0000 0.0000 51952.8466 -109303.3042 298.5737 -161256.1509 -108952.7469 299.5293 -28.6626 7.0707 761686.1647 8.8792 8.8867 PRESSURE: 2734400 -295.955 -0.986796 -75.5005 -0.987482 -182.89 180.196 -75.5003 180.196 653.022 GPRESSURE: 2734400 -300.849 -29.7748 51.5561 34.6751 -145.408 239.981 -35.8367 104.21 706.788 PRESSAVG: 2734400 -16.237 52.472 -0.161059 52.472 11.4493 28.3653 -0.161053 28.3653 -11.6245 GPRESSAVG: 2734400 -17.4888 50.1191 0.265517 53.1192 12.3304 28.5407 0.959228 28.5033 -11.088 TIMING: 2734400 CPU: 8643.35, 0.00316036/step Wall: 8643.35, 0.00316036/step, 1.98892 hours remaining, 239.070312 MB of memory in use. ENERGY: 2734400 4028.8282 20511.4738 14449.1389 240.5235 -203036.2943 2333.2906 0.0000 0.0000 51950.4976 -109522.5417 298.5602 -161473.0393 -109165.1145 299.1710 58.0592 86.8437 761378.3295 -5.4707 -5.4155 PRESSURE: 2734600 -393.238 73.6322 11.4577 73.6325 144.418 -128.947 11.4583 -128.947 220.897 GPRESSURE: 2734600 -277.767 171.493 -48.7525 144.578 200.056 -122.818 -49.9364 -235.595 145.144 PRESSAVG: 2734600 -52.8394 35.5462 19.7976 35.5462 13.1435 -16.7183 19.7976 -16.7182 -4.61267 GPRESSAVG: 2734600 -52.1985 36.8582 18.6739 35.103 13.1139 -15.7655 19.6788 -16.48 -5.22282 TIMING: 2734600 CPU: 8643.98, 0.00314121/step Wall: 8643.98, 0.00314121/step, 1.9767 hours remaining, 239.070312 MB of memory in use. ENERGY: 2734600 3917.2576 20490.3488 14535.4305 264.4254 -203041.4510 2578.3376 0.0000 0.0000 51526.2982 -109729.3529 296.1223 -161255.6511 -109368.5827 298.5388 -9.3074 22.4775 761723.7315 -14.7696 -14.7691 PRESSURE: 2734800 183.131 -24.3598 143.171 -24.36 -62.2715 194.821 143.171 194.821 -21.9358 GPRESSURE: 2734800 162.457 -20.7946 162.191 -22.0419 14.4063 139.722 210.257 111.304 16.0399 PRESSAVG: 2734800 1.38601 -17.991 18.3507 -17.991 20.8489 30.1621 18.3507 30.1621 11.7171 GPRESSAVG: 2734800 0.836192 -18.1262 19.5503 -16.4911 22.9206 29.7913 18.0152 27.2871 11.1746 TIMING: 2734800 CPU: 8644.61, 0.00315365/step Wall: 8644.61, 0.00315365/step, 1.98435 hours remaining, 239.070312 MB of memory in use. ENERGY: 2734800 3987.4768 20459.7399 14524.0806 248.8466 -203664.4833 2639.4288 0.0000 0.0000 52325.1306 -109479.7800 300.7132 -161804.9105 -109113.0630 299.4115 32.9745 64.3009 761272.6311 11.3173 11.6438 PRESSURE: 2735000 244.158 -136.803 -32.3946 -136.803 315.836 100.156 -32.3946 100.156 -2.4427 GPRESSURE: 2735000 313.434 -189.7 -29.5258 -108.342 335.664 13.9637 -42.7551 120.236 -0.326977 PRESSAVG: 2735000 31.1515 -19.1108 43.2226 -19.1108 -46.1318 31.0099 43.2226 31.0099 -19.0191 GPRESSAVG: 2735000 31.0355 -17.9542 42.668 -19.3499 -47.3479 30.4868 41.4834 33.8349 -17.7214 TIMING: 2735000 CPU: 8645.24, 0.00316155/step Wall: 8645.24, 0.00316155/step, 1.98914 hours remaining, 239.070312 MB of memory in use. ENERGY: 2735000 4055.1175 20637.2822 14422.1853 254.8026 -203849.7299 2976.1716 0.0000 0.0000 52108.4508 -109395.7198 299.4680 -161504.1706 -109036.6954 299.5899 185.8504 216.2569 758668.0015 -11.3331 -11.3446 PRESSURE: 2735200 -114.356 79.5233 -15.5505 79.5232 -341.984 -18.2438 -15.5495 -18.2427 -376.558 GPRESSURE: 2735200 -118.563 27.4352 -29.173 226.03 -224.011 68.7952 -43.1704 -99.882 -401.809 PRESSAVG: 2735200 19.6722 -29.406 6.38539 -29.406 -21.642 11.8222 6.38545 11.8222 -0.666192 GPRESSAVG: 2735200 20.2092 -29.9808 5.50648 -29.5 -21.5157 12.6533 7.45756 7.67916 -1.22627 TIMING: 2735200 CPU: 8645.87, 0.00316353/step Wall: 8645.87, 0.00316353/step, 1.99021 hours remaining, 239.070312 MB of memory in use. ENERGY: 2735200 4096.7644 20464.0932 14476.6063 236.1870 -203318.6369 2638.9481 0.0000 0.0000 52037.9645 -109368.0734 299.0629 -161406.0379 -109008.6456 299.6459 -277.6324 -248.1275 762396.5866 -0.8787 -0.8443 PRESSURE: 2735400 61.4222 -52.1626 78.1359 -52.1624 -85.7646 -55.6065 78.1371 -55.6059 -125.787 GPRESSURE: 2735400 76.2399 -90.3898 -13.1358 -35.6151 -28.2118 19.2533 99.7603 -57.1253 -98.2616 PRESSAVG: 2735400 21.9487 -8.9346 46.643 -8.93463 -15.7041 18.5995 46.643 18.5996 -4.60844 GPRESSAVG: 2735400 22.5222 -8.38111 47.5719 -9.79543 -15.3755 18.462 47.3753 21.9311 -5.22526 TIMING: 2735400 CPU: 8646.51, 0.00316745/step Wall: 8646.51, 0.00316745/step, 1.9925 hours remaining, 239.070312 MB of memory in use. ENERGY: 2735400 3938.2230 20463.5270 14475.6660 248.9997 -203425.8459 2623.4637 0.0000 0.0000 52009.4379 -109666.5286 298.8990 -161675.9665 -109294.5735 299.1158 -50.0430 -16.7445 761680.7553 0.5454 0.6405 PRESSURE: 2735600 -101.865 205.451 24.3764 205.45 -258.678 254.206 24.3761 254.205 -161.182 GPRESSURE: 2735600 -87.4974 109.536 77.9289 188.882 -216.897 272.508 -18.164 192.725 -111.847 PRESSAVG: 2735600 -0.418479 -19.3286 10.3503 -19.3286 -9.15748 5.37401 10.3503 5.37404 4.74586 GPRESSAVG: 2735600 -0.607081 -20.9873 9.37556 -18.2673 -9.37982 5.23939 9.39327 5.46968 5.23634 TIMING: 2735600 CPU: 8647.14, 0.00315114/step Wall: 8647.14, 0.00315114/step, 1.98207 hours remaining, 239.070312 MB of memory in use. ENERGY: 2735600 4058.1645 20425.5606 14439.1280 260.7225 -202829.1917 2062.8277 0.0000 0.0000 51799.7140 -109783.0743 297.6937 -161582.7884 -109419.1653 298.8552 -173.9086 -138.7472 762013.6502 -1.6100 -1.5835 PRESSURE: 2735800 -88.5405 -72.0653 -176.758 -72.0655 380.613 -26.3478 -176.758 -26.3475 131.15 GPRESSURE: 2735800 18.5971 9.75237 -180.845 -80.0441 341.609 -55.2603 -4.86369 -133.681 149.11 PRESSAVG: 2735800 12.4856 -44.2915 6.62761 -44.2915 -21.8057 -33.1961 6.62759 -33.1961 -22.6407 GPRESSAVG: 2735800 11.6695 -42.2805 7.51327 -45.8412 -21.6934 -34.0805 5.54576 -35.1772 -22.3953 TIMING: 2735800 CPU: 8647.77, 0.00314734/step Wall: 8647.77, 0.00314733/step, 1.9795 hours remaining, 239.070312 MB of memory in use. ENERGY: 2735800 4025.1726 20406.3194 14437.8533 257.6028 -203438.6807 2409.8723 0.0000 0.0000 51911.6285 -109990.2318 298.3368 -161901.8603 -109631.3578 298.1983 141.0741 169.7722 758592.9450 -10.6536 -10.8064 PRESSURE: 2736000 12.4141 -191.943 -71.4991 -191.941 -327.826 217.223 -71.4991 217.223 -36.1518 GPRESSURE: 2736000 74.7654 -126.757 -26.0283 -73.8101 -324.088 198.462 -145.594 180.331 -18.3429 PRESSAVG: 2736000 -39.8958 -85.3512 9.84976 -85.3513 56.7033 -53.6304 9.84976 -53.6303 25.1202 GPRESSAVG: 2736000 -39.5963 -85.8014 10.8503 -82.4382 56.6819 -53.9179 9.3852 -51.9512 25.2351 TIMING: 2736000 CPU: 8648.4, 0.00314531/step Wall: 8648.4, 0.00314531/step, 1.97805 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2736000 4011.3747 20498.8214 14510.3736 255.2073 -202889.9773 2095.0203 0.0000 0.0000 51627.8308 -109891.3493 296.7059 -161519.1801 -109529.0362 298.0185 -117.1880 -89.2219 760472.3877 13.9759 14.1069 PRESSURE: 2736200 115.02 -138.078 79.9816 -138.079 304.561 -40.349 79.9817 -40.3493 -76.4815 GPRESSURE: 2736200 180.237 -138.11 75.614 -177.344 380.771 32.0071 25.3144 -71.7344 -144.752 PRESSAVG: 2736200 -21.9057 -96.3042 9.29877 -96.3042 49.2637 -12.2679 9.29868 -12.2677 4.70441 GPRESSAVG: 2736200 -21.8866 -95.3964 9.45153 -99.1634 50.3643 -13.2877 8.19391 -11.1181 3.56335 TIMING: 2736200 CPU: 8649.03, 0.00316964/step Wall: 8649.03, 0.00316964/step, 1.99318 hours remaining, 239.070312 MB of memory in use. ENERGY: 2736200 4052.5957 20334.9855 14488.8968 235.3553 -203862.5783 2686.5107 0.0000 0.0000 51889.0172 -110175.2169 298.2069 -162064.2341 -109823.4092 297.4663 114.3666 138.7519 759188.4807 10.6875 10.6803 LDB: ============= START OF LOAD BALANCING ============== 8661.43 LDB: ============== END OF LOAD BALANCING =============== 8661.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8661.43 LDB: ============= START OF LOAD BALANCING ============== 8661.75 LDB: Largest compute 7058 load 0.033186 is 16.9% of average load 0.196052 LDB: Average compute 0.004375 is 2.2% of average load 0.196052 LDB: TIME 8661.75 LOAD: AVG 0.196052 MAX 0.215559 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 8661.75 LOAD: AVG 0.196052 MAX 0.215559 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 8661.75 LOAD: AVG 0.196052 MAX 0.215559 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 8661.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8661.76 PRESSURE: 2736400 -152.122 66.0841 -420.172 66.0842 186.05 -143.63 -420.17 -143.629 91.3334 GPRESSURE: 2736400 -97.2929 -37.7044 -328.033 110.316 230.292 -151.271 -434.999 -122.97 82.8762 PRESSAVG: 2736400 5.23513 -33.0593 -64.4564 -33.0593 -22.9539 -1.4864 -64.4564 -1.48636 -10.844 GPRESSAVG: 2736400 6.03649 -33.8266 -65.2748 -33.1881 -24.3224 -0.244409 -62.9369 -2.55167 -10.4675 TIMING: 2736400 CPU: 8649.68, 0.0032426/step Wall: 8649.68, 0.0032426/step, 2.03888 hours remaining, 237.640625 MB of memory in use. ENERGY: 2736400 3980.6189 20612.2363 14364.9335 267.7696 -202975.7689 2271.1574 0.0000 0.0000 51551.7804 -109927.2728 296.2688 -161479.0532 -109578.8562 298.1511 41.7536 71.9583 761941.6006 -9.5209 -9.5845 PRESSURE: 2736600 373.444 -255.046 -54.7111 -255.047 -8.75199 -9.9612 -54.7109 -9.96029 -346.071 GPRESSURE: 2736600 327.44 -270.069 -14.1145 -117.058 95.9877 -107.684 106.97 -10.7621 -330.22 PRESSAVG: 2736600 9.21762 -63.0209 -20.9861 -63.0208 -54.8559 14.7331 -20.9862 14.733 17.367 GPRESSAVG: 2736600 7.54499 -62.5176 -20.3231 -62.5497 -53.8238 16.0013 -19.4524 13.591 18.5393 TIMING: 2736600 CPU: 8650.31, 0.00316171/step Wall: 8650.31, 0.00316171/step, 1.98784 hours remaining, 237.640625 MB of memory in use. ENERGY: 2736600 3935.4315 20414.5731 14450.8870 235.7859 -202828.8569 2249.0466 0.0000 0.0000 51646.9336 -109896.1991 296.8156 -161543.1327 -109529.9989 298.0421 6.2070 31.0692 762027.8186 -9.4238 -9.2465 PRESSURE: 2736800 -200.898 -152.285 -141.826 -152.285 258.748 319.72 -141.826 319.721 133.16 GPRESSURE: 2736800 -72.6736 -64.1775 -62.8794 -214.859 196.559 351.505 -77.8242 275.368 148.382 PRESSAVG: 2736800 70.6821 5.12509 -16.0936 5.1251 -26.5196 -40.5278 -16.0936 -40.5278 6.51358 GPRESSAVG: 2736800 71.5809 3.88155 -18.0543 6.84183 -27.2021 -40.5412 -16.794 -39.6775 6.1948 TIMING: 2736800 CPU: 8650.94, 0.00315275/step Wall: 8650.94, 0.00315275/step, 1.98203 hours remaining, 237.640625 MB of memory in use. ENERGY: 2736800 3966.0307 20449.0686 14445.9748 241.7804 -203035.1955 2355.2437 0.0000 0.0000 52074.3677 -109502.7296 299.2721 -161577.0972 -109144.5393 299.0525 63.6696 90.7559 761184.6302 16.8920 16.8579 PRESSURE: 2737000 -368.005 80.4221 55.7172 80.4218 72.0952 -20.058 55.7173 -20.0574 -20.3608 GPRESSURE: 2737000 -317.527 59.4781 60.1754 -26.3227 30.3185 -52.2512 71.3599 -20.6388 55.972 PRESSAVG: 2737000 20.6787 -7.35123 -14.5473 -7.35122 -24.5443 39.5046 -14.5473 39.5046 -0.276033 GPRESSAVG: 2737000 20.4767 -5.12717 -13.1708 -8.89274 -24.6124 38.6975 -13.6151 38.6897 0.303906 TIMING: 2737000 CPU: 8651.57, 0.00314946/step Wall: 8651.57, 0.00314946/step, 1.97978 hours remaining, 237.640625 MB of memory in use. ENERGY: 2737000 4056.7639 20404.2570 14488.2868 249.2341 -202989.0434 2327.1350 0.0000 0.0000 51882.4815 -109580.8850 298.1693 -161463.3666 -109224.4780 298.7571 -105.4235 -77.0789 760907.0451 -1.3805 -1.2773 PRESSURE: 2737200 -68.569 -209.773 -99.0138 -209.774 -319.461 -11.1976 -99.0132 -11.1984 -314.45 GPRESSURE: 2737200 -71.4665 -120.476 -39.7581 -87.4354 -225.329 -11.524 -63.8014 -2.46063 -323.029 PRESSAVG: 2737200 21.8286 18.5839 0.00602062 18.5839 -27.8959 -1.31646 0.00602802 -1.31645 9.719 GPRESSAVG: 2737200 21.533 18.1582 1.95063 18.4744 -27.2641 -2.06057 -3.22463 -1.22533 9.70627 TIMING: 2737200 CPU: 8652.2, 0.00315836/step Wall: 8652.2, 0.00315836/step, 1.9852 hours remaining, 237.640625 MB of memory in use. ENERGY: 2737200 3949.9558 20325.7396 14510.1237 264.6308 -203282.1432 2383.9144 0.0000 0.0000 52292.7681 -109555.0109 300.5273 -161847.7790 -109195.4668 298.9544 -234.1598 -206.6081 759417.7141 1.2173 1.3250 PRESSURE: 2737400 -216.141 -12.9506 -21.8719 -12.9513 -88.3453 111.366 -21.8718 111.365 -109.287 GPRESSURE: 2737400 -103.776 -2.99698 1.9149 -65.4639 -69.6214 129.929 -42.5642 71.6209 -147.692 PRESSAVG: 2737400 -2.97159 -14.2577 5.32716 -14.2577 9.41309 33.9926 5.32715 33.9926 -20.9796 GPRESSAVG: 2737400 -2.63818 -14.7401 3.35852 -16.6427 9.11782 35.5551 8.5187 33.4198 -20.9709 TIMING: 2737400 CPU: 8652.84, 0.00316127/step Wall: 8652.84, 0.00316127/step, 1.98686 hours remaining, 237.640625 MB of memory in use. ENERGY: 2737400 3940.4931 20381.3249 14476.3327 237.7473 -202907.9015 2319.4760 0.0000 0.0000 51921.7292 -109630.7983 298.3949 -161552.5276 -109266.6668 298.7454 -137.9244 -107.0300 761784.4774 -4.8460 -4.8304 PRESSURE: 2737600 -51.426 80.4059 -186.933 80.4056 32.6818 49.783 -186.934 49.7832 110.138 GPRESSURE: 2737600 -40.9676 137.675 -194.335 30.137 81.5795 -23.9819 -101.67 115.267 139.929 PRESSAVG: 2737600 78.0112 -33.2192 -89.9758 -33.2192 -15.6153 31.7961 -89.9759 31.7961 5.61259 GPRESSAVG: 2737600 77.9713 -35.4196 -89.1922 -30.6676 -14.6594 30.8649 -91.2499 32.1593 5.06915 TIMING: 2737600 CPU: 8653.47, 0.0031569/step Wall: 8653.47, 0.0031569/step, 1.98393 hours remaining, 237.640625 MB of memory in use. ENERGY: 2737600 3976.6615 20490.2832 14457.2244 250.6533 -203153.8003 2197.6225 0.0000 0.0000 52040.1655 -109741.1899 299.0755 -161781.3555 -109381.8725 298.4253 30.4644 60.1802 761415.4421 22.6695 22.7937 PRESSURE: 2737800 -49.8405 77.1892 72.8942 77.189 51.4759 -142.817 72.8941 -142.816 -112.68 GPRESSURE: 2737800 -0.5891 43.212 138.738 12.6688 73.9127 -221.629 162.115 -157.599 -118.121 PRESSAVG: 2737800 -59.8106 -35.7774 -22.8301 -35.7774 39.6958 40.6627 -22.8301 40.6627 16.9513 GPRESSAVG: 2737800 -59.6566 -33.2577 -22.0924 -36.4664 38.7918 40.3378 -22.1117 42.0567 17.6026 TIMING: 2737800 CPU: 8654.1, 0.00316925/step Wall: 8654.1, 0.00316925/step, 1.99152 hours remaining, 237.640625 MB of memory in use. ENERGY: 2737800 3950.6967 20427.1430 14441.5000 263.9067 -202973.7072 2316.6201 0.0000 0.0000 51854.4627 -109719.3779 298.0083 -161573.8406 -109356.1102 298.8411 -37.0149 -14.9323 762102.0911 -1.0545 -1.0874 PRESSURE: 2738000 35.8473 -167.545 -215.97 -167.545 -109.864 -181.592 -215.97 -181.593 84.2992 GPRESSURE: 2738000 28.5845 -181.443 -258.087 -94.5261 -54.1567 -213.666 -152.232 -250.007 125.288 PRESSAVG: 2738000 -12.5782 -47.699 38.5441 -47.6991 20.4298 28.5432 38.5441 28.5432 -3.17411 GPRESSAVG: 2738000 -11.492 -48.7763 37.255 -47.1844 20.6722 28.5006 37.2864 29.3726 -4.76749 TIMING: 2738000 CPU: 8654.73, 0.00316309/step Wall: 8654.73, 0.00316309/step, 1.98747 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2738000 3974.0073 20474.6295 14451.8148 241.9613 -203363.6093 2572.1659 0.0000 0.0000 51985.0409 -109663.9896 298.7587 -161649.0305 -109298.0057 298.9694 3.4276 33.2387 761849.5446 1.5592 1.4709 PRESSURE: 2738200 -111.777 108.502 -92.8237 108.502 365.471 179.054 -92.8238 179.054 82.1898 GPRESSURE: 2738200 -35.0349 133.746 -112.53 20.4609 363.929 211.222 -87.2568 105.046 111.308 PRESSAVG: 2738200 -68.2113 -5.7562 -12.8131 -5.75623 3.03019 55.6198 -12.8131 55.6198 1.12192 GPRESSAVG: 2738200 -69.2244 -5.4332 -12.7024 -6.8652 2.86172 57.243 -13.4201 54.0469 2.05735 TIMING: 2738200 CPU: 8655.37, 0.00316988/step Wall: 8655.37, 0.00316988/step, 1.99156 hours remaining, 237.640625 MB of memory in use. ENERGY: 2738200 3952.4481 20446.8821 14439.5143 252.9612 -203387.3465 2557.2184 0.0000 0.0000 51897.1628 -109841.1595 298.2537 -161738.3223 -109485.5720 298.7982 111.9612 146.7339 761153.6640 -21.3531 -21.4351 PRESSURE: 2738400 84.9763 40.9691 -246.066 40.9686 -76.4124 -159.279 -246.067 -159.279 -139.258 GPRESSURE: 2738400 115.994 141.952 -231.543 -34.6049 -29.2473 -247.496 -357.389 -16.9385 -144.367 PRESSAVG: 2738400 38.5772 9.14344 -54.8944 9.14347 5.92772 -6.04744 -54.8943 -6.04746 -7.80409 GPRESSAVG: 2738400 39.1324 8.07461 -54.6815 11.3999 5.16409 -6.52728 -55.6553 -5.30685 -7.71502 TIMING: 2738400 CPU: 8656, 0.00316593/step Wall: 8656, 0.00316593/step, 1.98891 hours remaining, 237.640625 MB of memory in use. ENERGY: 2738400 4021.5459 20342.1040 14529.3748 257.4251 -203193.1606 2384.1698 0.0000 0.0000 52040.0328 -109618.5082 299.0748 -161658.5410 -109265.8745 298.8663 -43.5648 -19.2068 761093.9972 12.2336 12.1938 PRESSURE: 2738600 20.7274 130.657 9.84362 130.657 -77.8245 -76.8064 9.84342 -76.807 -56.9752 GPRESSURE: 2738600 40.0583 143.367 4.94279 213.44 -41.9382 -125.001 -28.8362 19.0222 -20.7972 PRESSAVG: 2738600 28.4685 39.0368 19.2564 39.0369 39.7697 45.4489 19.2564 45.4488 -17.0093 GPRESSAVG: 2738600 27.8962 39.5524 17.2432 38.1512 40.029 46.1234 22.9751 44.1764 -16.6713 TIMING: 2738600 CPU: 8656.63, 0.00314803/step Wall: 8656.63, 0.00314803/step, 1.97749 hours remaining, 237.640625 MB of memory in use. ENERGY: 2738600 3995.9187 20473.7050 14453.8586 255.5057 -203613.5086 2600.7105 0.0000 0.0000 52203.2589 -109630.5512 300.0128 -161833.8100 -109278.2742 298.9203 -38.0241 -7.5590 760864.2200 17.0763 17.0846 PRESSURE: 2738800 -309.839 54.8495 -30.7339 54.8491 -303.799 78.8214 -30.734 78.8212 -200.627 GPRESSURE: 2738800 -227.567 -76.5152 -30.3356 110.25 -275.045 84.8212 -9.51124 98.2184 -246.87 PRESSAVG: 2738800 -9.96347 -0.0907532 54.1167 -0.0907489 16.1608 24.9867 54.1166 24.9867 -14.5304 GPRESSAVG: 2738800 -9.36173 -0.639008 55.5231 0.572261 15.2822 24.0406 51.3281 27.0141 -13.7587 TIMING: 2738800 CPU: 8657.26, 0.00317471/step Wall: 8657.26, 0.00317471/step, 1.99407 hours remaining, 237.640625 MB of memory in use. ENERGY: 2738800 3987.0218 20412.4795 14484.9835 245.6582 -202854.1666 2261.2331 0.0000 0.0000 51924.8080 -109537.9826 298.4126 -161462.7905 -109174.7476 299.1436 -271.4217 -249.8276 762981.8996 -2.7777 -2.6127 PRESSURE: 2739000 -55.9077 -21.9919 -173.781 -21.9919 159.615 69.5258 -173.781 69.5261 -125.667 GPRESSURE: 2739000 -14.4941 -16.0709 -139.153 2.79803 228.553 105.015 -188.973 21.9708 -156.224 PRESSAVG: 2739000 2.64603 37.0291 25.3607 37.0291 11.2546 -1.88608 25.3606 -1.88602 8.11006 GPRESSAVG: 2739000 2.58262 37.7895 24.7508 35.8804 11.7395 -0.373633 27.7645 -3.52148 7.09202 TIMING: 2739000 CPU: 8657.9, 0.0031572/step Wall: 8657.9, 0.0031572/step, 1.9829 hours remaining, 237.640625 MB of memory in use. ENERGY: 2739000 3947.9123 20394.1562 14461.0593 248.0386 -203429.7365 2553.5528 0.0000 0.0000 52072.5872 -109752.4301 299.2619 -161825.0172 -109386.1444 299.4119 -7.3199 19.2783 760260.7543 7.3369 7.1380 PRESSURE: 2739200 -293.541 -6.25315 67.3391 -6.25213 -295.503 187.244 67.3392 187.245 165.003 GPRESSURE: 2739200 -193.468 -109.886 67.8453 -112.818 -253.52 192.053 18.5138 220.418 113.06 PRESSAVG: 2739200 -6.86028 16.2871 5.1604 16.2872 11.2153 25.7055 5.16031 25.7055 -6.45685 GPRESSAVG: 2739200 -7.95335 16.2935 5.54866 15.9596 11.6405 22.7625 3.84562 27.6509 -5.51509 TIMING: 2739200 CPU: 8658.53, 0.00314895/step Wall: 8658.53, 0.00314895/step, 1.97754 hours remaining, 237.640625 MB of memory in use. ENERGY: 2739200 3981.7053 20468.6487 14381.7776 270.6052 -203093.8501 2314.6707 0.0000 0.0000 52199.7508 -109476.6917 299.9927 -161676.4426 -109112.7872 299.2336 -141.3470 -111.3095 760986.1865 -0.7006 -0.6093 PRESSURE: 2739400 117.45 -173.42 81.1044 -173.419 103.121 -34.5085 81.1039 -34.5088 357.867 GPRESSURE: 2739400 180.179 -73.2889 92.2043 -138.784 62.0853 -54.7871 -28.0154 21.6902 406.192 PRESSAVG: 2739400 -6.65199 -29.5608 18.3201 -29.5608 -7.28002 61.6799 18.32 61.6799 10.2598 GPRESSAVG: 2739400 -5.14888 -30.7277 16.5626 -29.2691 -8.26586 62.8599 18.4551 61.6525 9.30711 TIMING: 2739400 CPU: 8659.16, 0.00315326/step Wall: 8659.16, 0.00315326/step, 1.98007 hours remaining, 237.640625 MB of memory in use. ENERGY: 2739400 3973.1978 20460.2526 14481.9314 235.6153 -203639.8853 2841.2973 0.0000 0.0000 51866.3835 -109781.2072 298.0768 -161647.5908 -109425.2657 299.4225 192.8124 216.1521 760434.7496 -1.2241 -1.3692 PRESSURE: 2739600 226.682 221.324 110.17 221.324 -59.4815 -124.71 110.17 -124.71 -4.90904 GPRESSURE: 2739600 162.966 180.557 103.503 166.672 82.594 -39.4935 104.471 -135.059 7.07928 PRESSAVG: 2739600 13.6497 15.8648 40.6683 15.8648 -7.90186 16.5384 40.6684 16.5384 -7.07524 GPRESSAVG: 2739600 14.6797 16.4175 42.4198 15.0123 -8.19456 16.6775 39.9776 14.8809 -8.01638 TIMING: 2739600 CPU: 8659.79, 0.00316172/step Wall: 8659.79, 0.00316172/step, 1.98521 hours remaining, 237.640625 MB of memory in use. ENERGY: 2739600 3970.0859 20573.4336 14405.0461 262.3442 -203054.8129 2516.9557 0.0000 0.0000 51749.1890 -109577.7584 297.4033 -161326.9474 -109223.9914 298.5062 54.0971 84.2132 760457.0773 -0.4425 -0.5104 PRESSURE: 2739800 89.3121 216.142 -50.283 216.143 -70.7221 -38.7642 -50.2833 -38.764 305.723 GPRESSURE: 2739800 39.1597 291.21 -94.9564 161.147 56.4905 -61.7614 -15.5088 -9.39558 298.821 PRESSAVG: 2739800 6.33578 28.3962 27.9346 28.3962 30.8369 12.5543 27.9346 12.5543 -9.76946 GPRESSAVG: 2739800 5.04606 30.3916 27.3021 27.5727 30.9289 10.0304 29.7839 13.5055 -8.34365 TIMING: 2739800 CPU: 8660.42, 0.00314965/step Wall: 8660.42, 0.00314965/step, 1.97745 hours remaining, 237.640625 MB of memory in use. ENERGY: 2739800 3972.8541 20661.1221 14477.6658 256.9730 -203098.8197 2441.8553 0.0000 0.0000 51890.5750 -109397.7745 298.2158 -161288.3495 -109040.4486 298.9423 108.1044 131.4903 759527.6160 9.1344 9.2104 PRESSURE: 2740000 -293.737 -70.3187 134.414 -70.32 -356.131 -354.79 134.414 -354.79 -378.337 GPRESSURE: 2740000 -280.588 -34.7055 56.3512 -73.2306 -301.992 -366.307 203.011 -330.657 -358.075 PRESSAVG: 2740000 25.9057 -29.9576 -10.3516 -29.9576 -17.8374 -31.2897 -10.3516 -31.2897 19.5645 GPRESSAVG: 2740000 26.3564 -31.0901 -9.64808 -30.3554 -18.349 -28.6992 -12.8961 -33.3071 19.2414 TIMING: 2740000 CPU: 8661.05, 0.00314399/step Wall: 8661.05, 0.00314399/step, 1.97373 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2740000 4056.9350 20315.8791 14495.4080 249.0931 -203016.3022 2327.3775 0.0000 0.0000 52234.1646 -109337.4450 300.1905 -161571.6097 -108972.6401 299.5689 -342.7351 -313.5515 760982.9196 9.2109 9.0830 PRESSURE: 2740200 -221.155 -206.837 199.662 -206.836 -0.582086 -168.359 199.66 -168.358 257.539 GPRESSURE: 2740200 -122.542 -246.997 189.3 -211.915 -6.49516 -146.461 117.482 -125.902 242.483 PRESSAVG: 2740200 39.5186 -32.8476 -7.43942 -32.8475 28.8295 -8.35644 -7.43941 -8.35641 2.61907 GPRESSAVG: 2740200 39.4977 -32.6429 -7.54943 -33.0286 29.1955 -7.85964 -6.21086 -7.76302 2.53005 TIMING: 2740200 CPU: 8661.68, 0.00317148/step Wall: 8661.68, 0.00317148/step, 1.99081 hours remaining, 237.640625 MB of memory in use. ENERGY: 2740200 4020.7176 20428.5972 14483.7462 236.7399 -203100.8037 2490.6994 0.0000 0.0000 51914.6764 -109525.6270 298.3544 -161440.3033 -109166.3153 298.9952 11.9340 37.8153 761755.3965 23.6557 23.7411 LDB: ============= START OF LOAD BALANCING ============== 8674.08 LDB: ============== END OF LOAD BALANCING =============== 8674.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8674.08 LDB: ============= START OF LOAD BALANCING ============== 8674.4 LDB: Largest compute 7078 load 0.032947 is 16.8% of average load 0.195848 LDB: Average compute 0.004383 is 2.2% of average load 0.195848 LDB: TIME 8674.41 LOAD: AVG 0.195848 MAX 0.217789 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 8674.41 LOAD: AVG 0.195848 MAX 0.217789 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 8674.41 LOAD: AVG 0.195848 MAX 0.217789 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8674.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8674.41 PRESSURE: 2740400 135.788 51.4716 53.8207 51.4719 39.5127 65.4001 53.8206 65.3993 158.866 GPRESSURE: 2740400 203.799 45.2226 68.0749 30.21 89.0374 124.746 -57.7737 30.7068 137.979 PRESSAVG: 2740400 37.9816 24.4273 -15.6751 24.4273 -30.7679 30.1925 -15.6752 30.1926 2.12111 GPRESSAVG: 2740400 36.8871 25.3397 -13.6268 25.4754 -29.9941 29.1173 -16.0774 30.9591 2.67902 TIMING: 2740400 CPU: 8662.33, 0.00323654/step Wall: 8662.33, 0.00323654/step, 2.03147 hours remaining, 237.843750 MB of memory in use. ENERGY: 2740400 4037.3300 20414.6597 14489.0428 248.8218 -203591.0201 2571.0445 0.0000 0.0000 52289.5900 -109540.5313 300.5090 -161830.1213 -109166.3871 299.0065 111.3889 143.6050 758277.4759 3.1116 3.1907 PRESSURE: 2740600 -21.3043 -55.2825 35.6413 -55.2828 163.272 -14.7355 35.6412 -14.7363 105.307 GPRESSURE: 2740600 -74.2581 -80.0458 118.397 -130.616 196.87 -35.919 -11.4929 -37.5494 203.85 PRESSAVG: 2740600 5.84918 -32.0875 8.53752 -32.0875 -7.21956 50.6195 8.53753 50.6195 3.885 GPRESSAVG: 2740600 4.75578 -32.2768 8.8267 -32.8242 -6.29407 51.6897 10.1934 48.0874 4.6479 TIMING: 2740600 CPU: 8662.96, 0.00316305/step Wall: 8662.96, 0.00316305/step, 1.98516 hours remaining, 237.843750 MB of memory in use. ENERGY: 2740600 4000.7730 20438.9167 14464.1003 265.1623 -203221.8896 2580.9316 0.0000 0.0000 52017.5672 -109454.4386 298.9457 -161472.0058 -109095.2891 299.0367 82.4248 108.8207 760589.7746 0.8382 1.0365 PRESSURE: 2740800 -10.3427 -54.8968 87.4975 -54.8964 -420.449 -72.1261 87.4983 -72.1258 -416.529 GPRESSURE: 2740800 68.4006 16.2407 164.959 -86.8547 -378.312 5.0085 -71.36 -173.241 -454.299 PRESSAVG: 2740800 -8.10748 -19.7682 45.3228 -19.7682 4.59969 34.3051 45.3228 34.3051 16.5176 GPRESSAVG: 2740800 -7.43622 -21.6364 42.5992 -18.7033 4.48025 32.501 43.9115 34.5148 15.542 TIMING: 2740800 CPU: 8663.59, 0.00314455/step Wall: 8663.59, 0.00314455/step, 1.97338 hours remaining, 237.843750 MB of memory in use. ENERGY: 2740800 3996.8772 20618.1548 14402.3040 236.8689 -202846.4345 2297.6256 0.0000 0.0000 51848.4300 -109446.1740 297.9736 -161294.6039 -109079.8335 299.2934 -282.4403 -254.7368 760195.1620 4.3366 4.1953 PRESSURE: 2741000 -6.51921 -102.425 105.115 -102.425 15.7299 -52.8033 105.116 -52.8034 -270.346 GPRESSURE: 2741000 42.977 -29.5874 138.22 -33.5124 16.0184 23.1473 201.422 -116.982 -224.828 PRESSAVG: 2741000 51.9067 -27.3176 -20.6957 -27.3175 -38.433 18.0695 -20.6956 18.0696 1.41393 GPRESSAVG: 2741000 52.801 -26.217 -19.0735 -27.4319 -40.418 19.2186 -22.0803 19.7967 2.29077 TIMING: 2741000 CPU: 8664.22, 0.00315476/step Wall: 8664.22, 0.00315476/step, 1.97961 hours remaining, 237.843750 MB of memory in use. ENERGY: 2741000 4110.8338 20608.6220 14514.2526 241.9132 -203049.8628 2498.3096 0.0000 0.0000 51868.0859 -109207.8457 298.0866 -161075.9316 -108854.5069 299.2720 -87.0452 -55.2775 761945.9320 4.9625 4.8913 PRESSURE: 2741200 211.312 -124.664 82.4395 -124.664 -66.2734 -98.1563 82.44 -98.1548 -5.66501 GPRESSURE: 2741200 206.539 -220.21 141.281 -63.3035 62.8267 -13.4552 -58.5812 -123.588 -34.7698 PRESSAVG: 2741200 16.4123 -19.4561 -14.016 -19.4561 2.68442 -22.2793 -14.016 -22.2794 -17.3968 GPRESSAVG: 2741200 17.0816 -22.1232 -14.0924 -17.8745 4.12823 -22.1807 -11.9302 -23.2201 -18.8077 TIMING: 2741200 CPU: 8664.85, 0.00316369/step Wall: 8664.85, 0.00316369/step, 1.98504 hours remaining, 237.843750 MB of memory in use. ENERGY: 2741200 4058.3904 20493.2835 14464.1751 234.7452 -203273.0087 2723.8160 0.0000 0.0000 52218.5758 -109080.0227 300.1009 -161298.5985 -108719.4588 299.9881 46.4580 78.1986 762418.2845 0.5666 0.8007 PRESSURE: 2741400 256.337 56.5343 81.1531 56.5347 -105.644 -93.2797 81.1536 -93.281 313.574 GPRESSURE: 2741400 234.485 -3.05887 56.7088 80.5194 -36.3066 -35.9218 97.9408 -49.6895 330.977 PRESSAVG: 2741400 57.1525 -45.4543 -7.44817 -45.4542 -32.7968 52.6943 -7.44816 52.6943 -8.44496 GPRESSAVG: 2741400 56.6844 -41.4121 -5.60463 -46.2724 -32.7225 53.2037 -10.4352 52.8712 -8.24197 TIMING: 2741400 CPU: 8665.49, 0.00316291/step Wall: 8665.49, 0.00316291/step, 1.98437 hours remaining, 237.843750 MB of memory in use. ENERGY: 2741400 3930.7460 20807.1629 14423.1305 257.1239 -203159.4686 2508.7703 0.0000 0.0000 52045.6790 -109186.8561 299.1072 -161232.5351 -108827.8628 300.3691 154.7557 176.3852 761224.3416 5.3036 5.2400 PRESSURE: 2741600 -135.795 201.631 -105.9 201.63 -203.248 124.743 -105.901 124.743 -290.776 GPRESSURE: 2741600 -103.08 172.663 -96.2171 170.852 -107.943 132.92 -44.3437 7.41407 -313.03 PRESSAVG: 2741600 -16.5923 -43.1118 5.17667 -43.1118 29.7175 -18.4867 5.17668 -18.4866 -9.16255 GPRESSAVG: 2741600 -16.6957 -44.6298 1.21276 -42.7864 28.8403 -19.3584 6.77148 -17.126 -7.85547 TIMING: 2741600 CPU: 8666.12, 0.00313904/step Wall: 8666.12, 0.00313904/step, 1.96922 hours remaining, 237.843750 MB of memory in use. ENERGY: 2741600 4127.2011 20535.0072 14554.0856 249.0168 -203295.3065 2550.2713 0.0000 0.0000 52114.9358 -109164.7888 299.5053 -161279.7246 -108808.5125 299.7847 -209.9396 -174.6845 760780.0928 1.3209 1.4297 PRESSURE: 2741800 -427.311 -217.502 -16.9817 -217.502 -84.478 46.0506 -16.9825 46.0502 157.144 GPRESSURE: 2741800 -366.991 -107.737 69.3733 -227.004 12.8085 66.5249 7.96859 -37.1797 78.502 PRESSAVG: 2741800 5.04779 -8.0941 18.8018 -8.09409 15.061 -5.20861 18.8018 -5.20873 16.9948 GPRESSAVG: 2741800 4.9425 -8.40657 19.7979 -8.7729 16.4849 -5.18331 19.2278 -6.67872 16.1358 TIMING: 2741800 CPU: 8666.75, 0.00315398/step Wall: 8666.75, 0.00315398/step, 1.97842 hours remaining, 237.843750 MB of memory in use. ENERGY: 2741800 4019.9423 20545.7442 14506.7503 243.4927 -203193.6400 2417.9483 0.0000 0.0000 52615.7970 -108843.9652 302.3837 -161459.7622 -108476.6583 300.2750 -118.2150 -91.8937 761427.9285 12.3678 12.5211 PRESSURE: 2742000 11.2588 -211.793 -284.499 -211.793 -348.424 33.3254 -284.499 33.3254 538.624 GPRESSURE: 2742000 -0.145544 -110.087 -307.101 -247.183 -354.621 0.249562 -254.324 53.165 653.433 PRESSAVG: 2742000 -5.89763 -65.2404 -4.49115 -65.2403 7.90905 14.3823 -4.49116 14.3823 -4.42075 GPRESSAVG: 2742000 -6.43185 -65.3271 -3.91364 -65.0214 5.48122 13.778 -5.33127 15.6564 -1.40213 TIMING: 2742000 CPU: 8667.38, 0.00315475/step Wall: 8667.38, 0.00315475/step, 1.97873 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2742000 3973.0785 20602.0783 14552.3333 238.4835 -203119.8244 2306.4037 0.0000 0.0000 52389.1586 -109058.2886 301.0812 -161447.4472 -108687.6389 300.9609 67.1530 99.5555 761160.1028 -0.8031 -0.7843 PRESSURE: 2742200 -281.887 11.6662 216.331 11.6656 14.3346 285.83 216.332 285.831 373.804 GPRESSURE: 2742200 -110.389 -27.8755 275.453 55.8051 -22.066 282.168 219.387 209.994 322.819 PRESSAVG: 2742200 -1.22556 -44.7162 -2.69395 -44.7163 -20.5775 37.4891 -2.69399 37.4891 -7.69856 GPRESSAVG: 2742200 0.412482 -42.0875 -2.28909 -44.397 -19.1772 37.5413 -2.80004 37.3137 -11.1188 TIMING: 2742200 CPU: 8668.01, 0.00314131/step Wall: 8668.01, 0.00314132/step, 1.97013 hours remaining, 237.843750 MB of memory in use. ENERGY: 2742200 4009.5367 20525.0467 14497.3497 253.7400 -203144.1968 2522.9265 0.0000 0.0000 52296.6149 -109038.9822 300.5494 -161335.5972 -108676.7234 299.9502 35.4172 63.4546 760859.0950 -9.8339 -9.9612 PRESSURE: 2742400 22.0039 -119.298 157.937 -119.297 -265.696 56.499 157.937 56.4993 -48.2674 GPRESSURE: 2742400 -14.4525 -59.8801 144.629 -188.517 -176.351 91.372 137.87 -13.0672 -5.6796 PRESSAVG: 2742400 28.5498 -116.403 16.4059 -116.403 -5.90064 15.5737 16.406 15.5737 -6.28397 GPRESSAVG: 2742400 27.0367 -117.649 15.3868 -115.772 -5.70366 17.0316 18.304 15.2846 -5.23509 TIMING: 2742400 CPU: 8668.63, 0.00314842/step Wall: 8668.63, 0.00314842/step, 1.97441 hours remaining, 237.843750 MB of memory in use. ENERGY: 2742400 3955.3337 20667.1997 14523.8937 254.9270 -202909.9236 2157.0772 0.0000 0.0000 52375.5393 -108975.9528 301.0029 -161351.4922 -108600.4238 300.9710 -97.3198 -65.4944 761280.9500 5.4551 5.3660 PRESSURE: 2742600 -194.655 63.8394 64.6759 63.8403 53.5868 242.386 64.6761 242.385 -17.4048 GPRESSURE: 2742600 -128.505 64.5223 200.971 35.7175 10.4554 277.493 -18.6782 141.84 39.9999 PRESSAVG: 2742600 13.8515 -66.6394 52.2941 -66.6395 -23.143 -8.66153 52.2941 -8.66155 -10.3088 GPRESSAVG: 2742600 15.0286 -68.6276 54.0391 -65.9916 -23.0259 -9.55602 50.9072 -8.75018 -11.2324 TIMING: 2742600 CPU: 8669.26, 0.00313038/step Wall: 8669.26, 0.00313038/step, 1.96292 hours remaining, 237.843750 MB of memory in use. ENERGY: 2742600 3981.4393 20828.2910 14500.6309 235.8223 -203223.5517 2391.3797 0.0000 0.0000 52329.4399 -108956.5487 300.7380 -161285.9885 -108594.6174 300.6376 -52.8243 -26.0166 762067.7286 -6.5334 -6.4099 PRESSURE: 2742800 98.9347 -174.458 233.764 -174.458 -4.09543 -226.188 233.764 -226.188 1.07042 GPRESSURE: 2742800 82.3045 -255.265 210.135 -110.159 31.4177 -127.08 261.285 -265.78 60.502 PRESSAVG: 2742800 5.2272 -79.1446 11.6274 -79.1446 8.16342 -50.2319 11.6274 -50.2319 1.77819 GPRESSAVG: 2742800 5.68702 -77.504 9.50176 -79.658 6.96759 -49.7731 11.8659 -48.6439 2.64708 TIMING: 2742800 CPU: 8669.89, 0.0031395/step Wall: 8669.89, 0.0031395/step, 1.96847 hours remaining, 237.843750 MB of memory in use. ENERGY: 2742800 3919.0953 20636.2330 14479.4897 248.0636 -203369.2502 2539.5771 0.0000 0.0000 52336.3859 -109210.4055 300.7779 -161546.7914 -108851.0963 300.7442 31.9699 58.0747 761145.7029 5.0563 5.1006 PRESSURE: 2743000 153.933 19.773 126.157 19.7723 -606.3 -22.417 126.157 -22.4175 102.801 GPRESSURE: 2743000 71.5915 93.6091 185.939 -58.4521 -434.09 -5.93733 166.129 12.475 105.965 PRESSAVG: 2743000 17.4364 -23.6255 77.047 -23.6255 -21.1664 13.9681 77.047 13.9681 11.8137 GPRESSAVG: 2743000 15.3533 -23.5915 77.8925 -23.2452 -18.4682 13.4185 77.2078 11.6968 11.0549 TIMING: 2743000 CPU: 8670.52, 0.00314076/step Wall: 8670.52, 0.00314076/step, 1.96908 hours remaining, 237.843750 MB of memory in use. ENERGY: 2743000 3946.2409 20654.6455 14579.7766 262.3091 -203544.4652 2514.2795 0.0000 0.0000 52309.8268 -109277.3866 300.6253 -161587.2134 -108903.3274 300.0423 -116.5219 -85.5112 759353.9407 2.6946 2.6466 PRESSURE: 2743200 -502.179 -91.876 -289.565 -91.8758 -85.0861 -183.581 -289.566 -183.582 -93.5909 GPRESSURE: 2743200 -413.428 48.5197 -294.32 -88.0619 -80.1158 -234.138 -336.837 -46.1703 -102.547 PRESSAVG: 2743200 23.9588 -78.5767 27.0383 -78.5767 -16.8313 42.6114 27.0383 42.6114 5.50668 GPRESSAVG: 2743200 25.8662 -79.3194 28.4159 -80.3295 -18.341 42.6088 26.5117 40.9768 5.61945 TIMING: 2743200 CPU: 8671.15, 0.0031462/step Wall: 8671.15, 0.0031462/step, 1.97232 hours remaining, 237.843750 MB of memory in use. ENERGY: 2743200 4049.7493 20473.1258 14499.9519 247.5666 -203280.6961 2596.1708 0.0000 0.0000 52177.7240 -109236.4076 299.8661 -161414.1317 -108855.8052 299.8194 -226.9518 -198.6967 762479.6198 4.2114 4.3816 PRESSURE: 2743400 -135.475 0.782839 212.288 0.783379 -85.32 271.582 212.289 271.582 128.102 GPRESSURE: 2743400 -80.5431 -67.6744 306.443 47.2573 -88.3313 224.419 107.275 310.02 173.179 PRESSAVG: 2743400 -32.5416 -2.63098 5.02823 -2.63098 25.769 -9.19479 5.02821 -9.1948 18.8338 GPRESSAVG: 2743400 -32.1069 -2.14758 4.79369 0.245389 26.3703 -10.1841 3.01869 -6.29885 18.4011 TIMING: 2743400 CPU: 8671.78, 0.00314672/step Wall: 8671.78, 0.00314672/step, 1.97247 hours remaining, 237.843750 MB of memory in use. ENERGY: 2743400 3993.2116 20397.6403 14488.5658 252.8968 -203733.5640 2724.0896 0.0000 0.0000 52540.0628 -109337.0969 301.9485 -161877.1598 -108959.6494 300.2004 -30.8976 1.4350 762382.7398 4.0204 4.2215 PRESSURE: 2743600 -135.36 -76.1929 -271.419 -76.1918 -13.7932 213.759 -271.419 213.758 -151.363 GPRESSURE: 2743600 -155.469 -78.4479 -238.854 -121.928 75.6176 187.176 -203.707 119.935 -147.411 PRESSAVG: 2743600 -12.2113 -39.0627 -12.4549 -39.0628 20.2957 34.4849 -12.455 34.4849 -4.18587 GPRESSAVG: 2743600 -12.9076 -40.1161 -12.2441 -41.2041 20.3364 35.257 -9.32333 33.3732 -3.43361 TIMING: 2743600 CPU: 8672.4, 0.00314353/step Wall: 8672.4, 0.00314353/step, 1.9703 hours remaining, 237.843750 MB of memory in use. ENERGY: 2743600 4022.5552 20619.5975 14516.6036 216.0332 -203017.8209 2361.7730 0.0000 0.0000 51982.9420 -109298.3164 298.7467 -161281.2584 -108939.4601 299.6371 -100.1721 -75.7544 762136.0823 1.2995 1.3317 PRESSURE: 2743800 340.027 130.021 -164.428 130.022 17.1056 3.07184 -164.428 3.07187 -79.1308 GPRESSURE: 2743800 399.625 37.2203 -199.077 204.505 65.6379 -63.415 -85.5194 56.3322 -98.1274 PRESSAVG: 2743800 32.2299 -21.0062 -33.3118 -21.0061 -20.7956 56.7633 -33.3118 56.7632 -6.33894 GPRESSAVG: 2743800 31.0422 -19.9762 -33.4905 -20.2078 -19.7104 56.5804 -35.4023 56.6558 -6.04382 TIMING: 2743800 CPU: 8673.03, 0.0031427/step Wall: 8673.03, 0.0031427/step, 1.9696 hours remaining, 237.843750 MB of memory in use. ENERGY: 2743800 4046.2580 20525.6364 14524.7364 241.3046 -203422.0864 2576.4895 0.0000 0.0000 52191.6504 -109316.0111 299.9461 -161507.6615 -108954.8201 299.8650 92.6673 122.3784 760642.7942 1.6985 1.7626 PRESSURE: 2744000 -169.043 -32.0465 290.568 -32.0458 -67.1201 270.333 290.568 270.334 -257.27 GPRESSURE: 2744000 -92.1097 -86.9253 264.853 -80.3416 -69.3392 231.217 212.15 128.865 -235.218 PRESSAVG: 2744000 6.85373 -20.7009 53.4263 -20.7009 34.5177 10.7656 53.4264 10.7656 -4.60402 GPRESSAVG: 2744000 9.43125 -21.8026 53.5978 -20.1562 32.6177 9.86046 53.5272 9.51115 -6.06331 TIMING: 2744000 CPU: 8673.66, 0.00315332/step Wall: 8673.66, 0.00315332/step, 1.97608 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2744000 3971.3153 20446.9466 14417.1024 236.7275 -203149.9914 2382.7468 0.0000 0.0000 52188.3088 -109506.8440 299.9269 -161695.1529 -109141.9089 299.4576 -164.4777 -132.2224 761978.4136 12.2558 11.9952 PRESSURE: 2744200 -82.5387 -116.63 -143.414 -116.63 316.023 -117.62 -143.414 -117.621 -187.263 GPRESSURE: 2744200 -11.6841 -140.799 -158.931 -46.8041 308.078 -18.6864 -206.547 -65.4565 -166.983 PRESSAVG: 2744200 14.2336 -37.7141 -6.97302 -37.7141 -31.1438 44.957 -6.97302 44.957 31.972 GPRESSAVG: 2744200 12.9592 -35.394 -8.53221 -39.3124 -31.6306 45.5913 -5.29943 47.0851 33.5538 TIMING: 2744200 CPU: 8674.3, 0.00316741/step Wall: 8674.3, 0.00316741/step, 1.98473 hours remaining, 237.843750 MB of memory in use. ENERGY: 2744200 4002.7090 20469.6604 14500.5748 229.5180 -203752.4988 2773.4662 0.0000 0.0000 52180.8179 -109595.7524 299.8839 -161776.5703 -109232.0924 298.2547 15.4071 43.1369 761186.4104 5.0206 4.9608 LDB: ============= START OF LOAD BALANCING ============== 8686.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8686.7 LDB: =============== DONE WITH MIGRATION ================ 8686.7 LDB: ============= START OF LOAD BALANCING ============== 8687.01 LDB: Largest compute 7033 load 0.033159 is 16.9% of average load 0.196005 LDB: Average compute 0.004388 is 2.2% of average load 0.196005 LDB: TIME 8687.02 LOAD: AVG 0.196005 MAX 0.217485 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 8687.02 LOAD: AVG 0.196005 MAX 0.217485 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 8687.02 LOAD: AVG 0.196005 MAX 0.217485 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8687.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8687.02 PRESSURE: 2744400 -319.179 -108.956 -17.4139 -108.955 -135.3 69.4944 -17.4127 69.4935 -202.627 GPRESSURE: 2744400 -317.069 -88.1035 -72.8878 -158.275 -93.0199 53.7031 19.2573 163.843 -173.022 PRESSAVG: 2744400 18.9387 -53.1332 30.7142 -53.1331 -47.4743 20.7522 30.7143 20.7521 -1.70684 GPRESSAVG: 2744400 18.3128 -54.442 32.0979 -51.8667 -47.0589 20.4308 30.2457 22.1034 -2.45806 TIMING: 2744400 CPU: 8674.94, 0.00322465/step Wall: 8674.94, 0.00322466/step, 2.02043 hours remaining, 237.128906 MB of memory in use. ENERGY: 2744400 3973.4942 20644.2586 14424.6712 259.2808 -203413.2038 2522.8183 0.0000 0.0000 52062.7715 -109525.9093 299.2055 -161588.6808 -109165.6758 299.0063 -219.0355 -194.3703 763801.4981 -10.0808 -10.4014 PRESSURE: 2744600 -190.286 -104.491 -71.3412 -104.492 122.284 -101.156 -71.3404 -101.155 -37.9932 GPRESSURE: 2744600 -178.299 -109.867 -108.925 -95.9617 164.807 -53.9948 88.2994 -41.5653 -7.31405 PRESSAVG: 2744600 84.3027 -33.3424 -8.68439 -33.3424 -74.7611 32.6 -8.6844 32.6 13.41 GPRESSAVG: 2744600 84.1394 -33.6181 -8.94551 -35.0387 -73.2555 34.0235 -7.59622 30.0695 12.2832 TIMING: 2744600 CPU: 8675.57, 0.00315329/step Wall: 8675.57, 0.00315329/step, 1.97554 hours remaining, 237.128906 MB of memory in use. ENERGY: 2744600 4012.5737 20593.7442 14498.7007 246.6881 -203699.5268 2641.3335 0.0000 0.0000 52134.6809 -109571.8056 299.6187 -161706.4865 -109214.3241 299.1766 -35.3319 -6.9353 762450.8935 7.6505 7.7224 PRESSURE: 2744800 -159.473 -121.701 -186.328 -121.702 -391.788 -0.619398 -186.328 -0.61889 129.391 GPRESSURE: 2744800 -176.252 -14.6211 -127.943 -129.435 -367.264 0.692482 -152.601 78.8036 180.651 PRESSAVG: 2744800 28.5808 -36.0477 16.2537 -36.0478 -45.0121 40.9871 16.2537 40.9872 -14.3867 GPRESSAVG: 2744800 29.4273 -35.8019 17.2109 -35.4806 -46.9213 40.5177 14.782 41.5342 -13.827 TIMING: 2744800 CPU: 8676.2, 0.0031528/step Wall: 8676.2, 0.0031528/step, 1.97505 hours remaining, 237.128906 MB of memory in use. ENERGY: 2744800 3957.5169 20600.5226 14502.7015 249.9435 -203348.8087 2429.6663 0.0000 0.0000 52008.3026 -109600.1553 298.8924 -161608.4580 -109241.0727 299.1217 -140.6234 -120.9552 762178.4404 -10.2727 -10.4403 PRESSURE: 2745000 -29.5305 -215.396 319.213 -215.396 -268.483 -34.5868 319.213 -34.5871 -108.527 GPRESSURE: 2745000 -57.9915 -224.48 308.884 -181.322 -170.156 -34.3997 268.654 -144.87 -98.347 PRESSAVG: 2745000 12.0228 -10.4065 -16.8144 -10.4066 -26.8696 4.44211 -16.8144 4.44209 -12.9707 GPRESSAVG: 2745000 12.4312 -10.539 -19.0155 -8.72248 -27.5448 5.1354 -16.7756 3.18996 -12.7924 TIMING: 2745000 CPU: 8676.84, 0.00317134/step Wall: 8676.84, 0.00317134/step, 1.98649 hours remaining, 237.128906 MB of memory in use. ENERGY: 2745000 3949.0002 20631.7549 14520.9946 254.4740 -203297.4090 2353.2075 0.0000 0.0000 51907.9099 -109680.0678 298.3155 -161587.9777 -109321.4903 299.0006 -135.5136 -108.8316 760259.1444 -9.2725 -9.3020 PRESSURE: 2745200 50.9076 -117.173 -47.1504 -117.173 17.2122 -67.8255 -47.1506 -67.825 244.846 GPRESSURE: 2745200 25.695 -82.4943 -15.2035 -111.365 175.052 62.8153 -110.656 -6.59951 200.074 PRESSAVG: 2745200 29.5499 3.84602 6.80506 3.84596 39.197 -8.03126 6.80515 -8.03127 -12.1098 GPRESSAVG: 2745200 27.864 5.23279 7.97379 2.70938 40.1854 -9.50589 5.74201 -6.54448 -11.6216 TIMING: 2745200 CPU: 8677.47, 0.0031539/step Wall: 8677.47, 0.0031539/step, 1.97539 hours remaining, 237.128906 MB of memory in use. ENERGY: 2745200 3958.0008 20490.0064 14476.3426 267.3284 -203572.6663 2668.7385 0.0000 0.0000 52253.0922 -109459.1575 300.2992 -161712.2497 -109098.8190 299.0856 104.3218 133.6068 759606.9440 18.8790 18.8092 PRESSURE: 2745400 2.12828 -27.7174 162.628 -27.718 49.2121 -514.071 162.628 -514.072 350.789 GPRESSURE: 2745400 38.5787 19.7765 136.987 -199.851 54.811 -475.098 195.093 -440 399.513 PRESSAVG: 2745400 -16.8717 -2.59695 15.6577 -2.59698 19.9049 -19.1817 15.6577 -19.1817 -5.66041 GPRESSAVG: 2745400 -17.356 -4.1501 16.7575 -2.5619 19.5511 -18.8135 15.6371 -17.941 -5.36778 TIMING: 2745400 CPU: 8678.1, 0.00315734/step Wall: 8678.1, 0.00315734/step, 1.97737 hours remaining, 237.128906 MB of memory in use. ENERGY: 2745400 4023.7514 20475.2288 14452.5269 243.3534 -203103.4723 2337.1666 0.0000 0.0000 52179.4774 -109391.9678 299.8762 -161571.4452 -109033.5845 299.3864 134.0432 164.3009 760314.1225 -0.8758 -1.0575 PRESSURE: 2745600 6.02553 127.589 98.5439 127.589 -396.897 -459.812 98.5445 -459.812 124.631 GPRESSURE: 2745600 74.688 166.35 69.2522 217.925 -298.829 -392.621 96.4608 -406.13 20.0505 PRESSAVG: 2745600 6.18994 -38.03 -35.8759 -38.03 -4.19704 30.8241 -35.8759 30.8241 -0.941192 GPRESSAVG: 2745600 7.34803 -38.3042 -37.0491 -34.8328 -3.92658 31.1633 -35.1874 32.361 -2.68002 TIMING: 2745600 CPU: 8678.73, 0.00314235/step Wall: 8678.73, 0.00314235/step, 1.96781 hours remaining, 237.128906 MB of memory in use. ENERGY: 2745600 4002.2432 20528.3407 14489.5462 260.4589 -203431.5922 2855.9682 0.0000 0.0000 51935.8467 -109359.1884 298.4760 -161295.0351 -109001.4532 299.5856 -88.7470 -68.0302 762076.7749 0.3506 0.2471 PRESSURE: 2745800 -126.632 -128.47 77.7322 -128.47 16.7808 263.857 77.7319 263.857 27.1213 GPRESSURE: 2745800 -98.1012 -14.5153 141.717 -27.7221 2.92137 283.072 116.529 170.811 99.2998 PRESSAVG: 2745800 19.0027 1.93537 -16.8128 1.9354 -14.3685 14.7858 -16.8128 14.7858 28.984 GPRESSAVG: 2745800 19.7824 3.28618 -15.3811 -0.535809 -16.0283 16.8472 -14.8628 13.6726 30.0388 TIMING: 2745800 CPU: 8679.36, 0.00314969/step Wall: 8679.36, 0.00314969/step, 1.97223 hours remaining, 237.128906 MB of memory in use. ENERGY: 2745800 3914.5846 20429.4522 14470.3532 245.2845 -203399.8550 2510.6155 0.0000 0.0000 52124.2527 -109705.3122 299.5588 -161829.5650 -109342.2382 299.0606 -27.5767 1.3733 760736.8850 11.2061 11.2643 PRESSURE: 2746000 51.3363 -168.014 40.7067 -168.013 141.516 88.0513 40.7069 88.0512 -538.528 GPRESSURE: 2746000 -12.7952 -177.727 133.632 -175.312 191.582 10.7179 -26.1692 58.9547 -453.396 PRESSAVG: 2746000 49.8152 -9.37897 -29.7097 -9.37902 -36.5331 14.358 -29.7096 14.358 -4.75809 GPRESSAVG: 2746000 48.3061 -9.94734 -29.9062 -9.14285 -35.4573 11.0208 -32.1372 13.3658 -4.05218 TIMING: 2746000 CPU: 8679.98, 0.00313208/step Wall: 8679.98, 0.00313208/step, 1.96103 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2746000 3983.7419 20506.3133 14508.8704 255.4067 -203821.2903 2688.2433 0.0000 0.0000 52141.6560 -109737.0587 299.6588 -161878.7148 -109378.7243 298.5000 -115.2252 -91.5365 760950.2184 2.8413 2.9322 PRESSURE: 2746200 282.099 -130.717 -20.595 -130.717 -292.279 -128.776 -20.5958 -128.776 -50.5983 GPRESSURE: 2746200 341.018 -172.565 79.0764 -216.318 -263.692 -104.467 -34.8013 26.0568 -56.6007 PRESSAVG: 2746200 17.5794 -8.18478 -44.1847 -8.18476 -22.6056 -28.6805 -44.1847 -28.6805 20.1511 GPRESSAVG: 2746200 17.5373 -8.43309 -42.6858 -6.70428 -22.4278 -26.253 -43.4971 -30.0235 20.316 TIMING: 2746200 CPU: 8680.61, 0.00313862/step Wall: 8680.61, 0.00313862/step, 1.96495 hours remaining, 237.128906 MB of memory in use. ENERGY: 2746200 4057.7655 20513.2205 14538.1839 235.7547 -203532.6595 2674.3201 0.0000 0.0000 51859.3739 -109654.0409 298.0365 -161513.4148 -109299.0646 298.9991 -20.2594 6.9084 759962.6507 5.0417 5.1419 PRESSURE: 2746400 16.4222 -246.208 56.2975 -246.207 -1.87316 57.3515 56.2975 57.3518 -518.665 GPRESSURE: 2746400 64.8393 -241.487 25.6972 -163.68 36.1959 -12.6101 100.508 128.979 -542.586 PRESSAVG: 2746400 54.567 22.9849 -63.5776 22.9849 -8.94995 24.7256 -63.5777 24.7256 22.6896 GPRESSAVG: 2746400 56.4761 23.6946 -66.3143 21.7283 -9.92188 24.6118 -64.1526 26.3162 21.9664 TIMING: 2746400 CPU: 8681.24, 0.0031364/step Wall: 8681.24, 0.0031364/step, 1.96339 hours remaining, 237.128906 MB of memory in use. ENERGY: 2746400 3990.0020 20485.8346 14508.3151 245.5863 -203401.0548 2528.0160 0.0000 0.0000 52136.4065 -109506.8945 299.6286 -161643.3009 -109126.4827 299.1969 -168.0387 -147.1835 760521.3264 22.7689 22.8402 PRESSURE: 2746600 -263.007 25.3746 -18.2278 25.3745 43.8156 133.472 -18.2291 133.472 -91.4528 GPRESSURE: 2746600 -174.397 32.4578 46.087 95.4153 -47.8131 66.1339 -61.8671 123.001 -27.8118 PRESSAVG: 2746600 -15.5267 -0.237555 -10.9597 -0.237544 44.5146 -7.54072 -10.9596 -7.54071 13.7079 GPRESSAVG: 2746600 -15.2797 1.41369 -9.7344 -0.429772 44.5656 -7.39342 -11.5048 -8.94047 13.569 TIMING: 2746600 CPU: 8681.86, 0.00312074/step Wall: 8681.86, 0.00312074/step, 1.95341 hours remaining, 237.128906 MB of memory in use. ENERGY: 2746600 4016.5568 20360.3378 14532.4971 242.5659 -203327.2138 2426.2608 0.0000 0.0000 52036.4166 -109712.5787 299.0540 -161748.9954 -109345.7724 298.7942 -103.5479 -83.3406 760319.9152 14.2319 14.2850 PRESSURE: 2746800 -193.571 -40.8914 41.3549 -40.8915 127.461 231.067 41.3555 231.066 -162.5 GPRESSURE: 2746800 -103.47 34.2329 10.2068 -101.196 105.322 168.774 34.6447 253.789 -134.688 PRESSAVG: 2746800 -49.2348 -109.139 -8.38686 -109.139 45.3284 15.0376 -8.38679 15.0376 -14.1045 GPRESSAVG: 2746800 -50.289 -111.148 -9.04848 -109.34 45.8448 14.0885 -7.81479 16.6558 -14.1452 TIMING: 2746800 CPU: 8682.49, 0.00313709/step Wall: 8682.49, 0.00313709/step, 1.96347 hours remaining, 237.128906 MB of memory in use. ENERGY: 2746800 3983.5603 20507.8994 14544.0331 241.5652 -203190.3284 2511.9521 0.0000 0.0000 51879.3522 -109521.9661 298.1514 -161401.3183 -109169.7782 298.7464 -76.2031 -44.2786 760981.6263 -6.0037 -6.1965 PRESSURE: 2747000 -163.517 56.593 74.729 56.5926 109.785 -105.735 74.7286 -105.734 -143.997 GPRESSURE: 2747000 -123.052 -117.747 84.4043 -64.1875 77.9143 -93.3962 -51.7034 -168.536 -76.5208 PRESSAVG: 2747000 -29.1882 -35.6322 47.4217 -35.6322 20.7486 34.6247 47.4218 34.6247 20.1866 GPRESSAVG: 2747000 -28.9444 -35.9199 46.6568 -36.5595 20.0841 36.4033 48.1598 34.5887 20.4177 TIMING: 2747000 CPU: 8683.12, 0.00312934/step Wall: 8683.12, 0.00312934/step, 1.95845 hours remaining, 237.128906 MB of memory in use. ENERGY: 2747000 3888.8679 20487.6165 14487.2101 259.8296 -202826.1382 2283.6845 0.0000 0.0000 52034.7875 -109384.1421 299.0446 -161418.9296 -109018.7625 299.3417 -65.9094 -40.5527 761728.1671 3.9157 3.8525 PRESSURE: 2747200 -121.419 -24.2526 -286.534 -24.2517 -31.2278 38.3291 -286.534 38.3295 -342.314 GPRESSURE: 2747200 -198.95 26.803 -167.79 2.01943 102.277 63.8437 -87.9266 -78.519 -306.231 PRESSAVG: 2747200 -36.8882 -11.984 -9.75613 -11.984 37.8129 43.1054 -9.75611 43.1055 4.34249 GPRESSAVG: 2747200 -37.4399 -11.9863 -8.84461 -11.2789 38.7355 43.4697 -12.6569 40.3382 3.74892 TIMING: 2747200 CPU: 8683.75, 0.00314467/step Wall: 8683.75, 0.00314467/step, 1.96786 hours remaining, 237.128906 MB of memory in use. ENERGY: 2747200 3982.9798 20536.4634 14571.9879 258.1909 -203199.0384 2302.8898 0.0000 0.0000 52139.0130 -109407.5135 299.6436 -161546.5265 -109043.2378 299.0615 -164.9870 -134.3014 760511.3553 1.7557 1.6815 PRESSURE: 2747400 317.652 24.2625 -47.2009 24.2618 -188.568 0.575314 -47.2015 0.574595 190.702 GPRESSURE: 2747400 340.927 97.5509 -30.7024 41.2561 -82.8954 79.7412 -123.997 88.4441 145.844 PRESSAVG: 2747400 -24.0938 -36.096 -2.46511 -36.0961 60.2049 63.1668 -2.46509 63.1668 10.3887 GPRESSAVG: 2747400 -24.9929 -35.9467 -1.72529 -35.5848 60.1873 62.3314 -1.09228 64.3866 10.897 TIMING: 2747400 CPU: 8684.37, 0.00314297/step Wall: 8684.37, 0.00314297/step, 1.96663 hours remaining, 237.128906 MB of memory in use. ENERGY: 2747400 3980.3264 20610.8300 14558.9888 237.4518 -203619.3870 2875.1660 0.0000 0.0000 51917.5153 -109439.1087 298.3707 -161356.6240 -109076.6677 299.5425 106.5953 134.6250 760874.2228 15.4999 15.3638 PRESSURE: 2747600 -197.435 -134.527 74.3316 -134.528 -115.322 -207.108 74.3313 -207.108 -66.8164 GPRESSURE: 2747600 -139.389 -120.634 135.281 -208.672 -88.6223 -150.669 95.4735 -312.056 -42.6784 PRESSAVG: 2747600 -17.8192 -36.3424 7.32152 -36.3423 22.2346 -2.16568 7.32152 -2.16575 35.5198 GPRESSAVG: 2747600 -17.4281 -36.4375 7.51359 -38.169 23.2564 -2.1141 7.82825 -1.65257 34.983 TIMING: 2747600 CPU: 8685, 0.00314537/step Wall: 8685, 0.00314537/step, 1.96795 hours remaining, 237.128906 MB of memory in use. ENERGY: 2747600 4041.0534 20535.4067 14575.5183 252.0683 -203401.4858 2487.8618 0.0000 0.0000 51894.3152 -109615.2623 298.2373 -161509.5774 -109256.7665 298.9176 -126.5246 -90.2300 759513.1687 13.3117 13.6038 PRESSURE: 2747800 461.631 -6.12872 153.401 -6.13012 4.10074 10.0485 153.402 10.0488 784.061 GPRESSURE: 2747800 523.877 -113.859 202.072 82.8597 64.8442 -39.3424 171.43 38.8854 756.394 PRESSAVG: 2747800 -44.0317 2.8436 -9.08736 2.8436 33.6051 45.6781 -9.08729 45.6782 -16.3441 GPRESSAVG: 2747800 -42.4705 2.3927 -8.45675 5.3463 33.2297 44.9448 -9.62867 45.9322 -16.891 TIMING: 2747800 CPU: 8685.63, 0.00315118/step Wall: 8685.63, 0.00315118/step, 1.97141 hours remaining, 237.128906 MB of memory in use. ENERGY: 2747800 3923.8854 20487.6049 14530.2329 244.1807 -203162.6020 2639.7958 0.0000 0.0000 51956.0453 -109380.8570 298.5921 -161336.9023 -109030.4962 299.2525 416.5978 448.3716 760322.5414 -8.9235 -8.7106 PRESSURE: 2748000 -126.345 166.186 -57.0139 166.186 167.61 206.913 -57.0143 206.912 49.0414 GPRESSURE: 2748000 -30.2161 232.086 -33.2391 160.412 139.515 176.016 -46.5821 69.8235 81.1638 PRESSAVG: 2748000 18.474 6.45404 -10.6548 6.45401 -38.0593 39.0795 -10.6548 39.0794 12.6646 GPRESSAVG: 2748000 17.7393 8.27343 -12.6172 3.99864 -38.3944 38.8636 -9.8855 39.7177 13.6661 TIMING: 2748000 CPU: 8686.26, 0.00315185/step Wall: 8686.26, 0.00315185/step, 1.97165 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2748000 4135.5592 20490.0969 14531.6306 248.3925 -203502.0929 2526.3335 0.0000 0.0000 52184.1167 -109385.9636 299.9028 -161570.0803 -109027.4565 298.9817 30.1021 63.4875 760220.9180 -2.3069 -2.3297 PRESSURE: 2748200 166.881 -229.735 -90.9959 -229.736 -107.182 156.214 -90.9966 156.214 231.458 GPRESSURE: 2748200 157.12 -149.972 -86.1513 -73.564 -34.1636 165.656 -21.9344 214.461 265.663 PRESSAVG: 2748200 59.0183 15.0427 50.3003 15.0427 -29.7041 39.7232 50.3003 39.7232 -1.73528 GPRESSAVG: 2748200 58.8834 12.642 52.0288 17.8497 -29.0458 39.6784 50.4764 39.5904 -1.44008 TIMING: 2748200 CPU: 8686.89, 0.00314485/step Wall: 8686.89, 0.00314485/step, 1.96711 hours remaining, 237.128906 MB of memory in use. ENERGY: 2748200 3981.1135 20438.0928 14548.7132 243.9822 -203838.6213 2800.7407 0.0000 0.0000 52474.9232 -109351.0557 301.5741 -161825.9789 -108993.6117 299.3844 97.0519 129.5398 760235.9242 9.1930 9.4658 LDB: ============= START OF LOAD BALANCING ============== 8699.29 LDB: ============== END OF LOAD BALANCING =============== 8699.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8699.29 LDB: ============= START OF LOAD BALANCING ============== 8699.61 LDB: Largest compute 7068 load 0.034299 is 17.5% of average load 0.196088 LDB: Average compute 0.004366 is 2.2% of average load 0.196088 LDB: TIME 8699.61 LOAD: AVG 0.196088 MAX 0.215012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 8699.61 LOAD: AVG 0.196088 MAX 0.215012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 8699.61 LOAD: AVG 0.196088 MAX 0.215012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 8699.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8699.62 PRESSURE: 2748400 165.198 29.3939 -49.3284 29.3938 265.769 36.7942 -49.3282 36.7955 161.094 GPRESSURE: 2748400 94.7717 196.703 -46.2284 -176.135 360.94 -40.7684 -118.385 -2.19038 221.011 PRESSAVG: 2748400 59.2828 31.8439 26.3761 31.8438 -56.1355 52.9622 26.376 52.9622 30.2006 GPRESSAVG: 2748400 59.2994 33.4382 25.6668 28.5095 -56.2891 53.513 26.898 52.1114 30.3477 TIMING: 2748400 CPU: 8687.53, 0.00320732/step Wall: 8687.53, 0.00320732/step, 2.006 hours remaining, 236.820312 MB of memory in use. ENERGY: 2748400 3950.7338 20364.7593 14474.7819 243.9398 -203762.2022 2946.4502 0.0000 0.0000 52232.4528 -109549.0845 300.1806 -161781.5373 -109184.3225 299.1834 197.3535 225.5745 760012.3936 11.1159 11.1193 PRESSURE: 2748600 -40.9561 -129.974 89.9992 -129.974 184.185 66.0477 89.9987 66.0486 -166.375 GPRESSURE: 2748600 61.1566 -222.986 21.8126 -163.222 237.919 111.579 98.7746 -7.12708 -228.015 PRESSAVG: 2748600 -8.02782 -33.9267 -42.5121 -33.9267 1.87115 15.5591 -42.5121 15.5592 -0.647412 GPRESSAVG: 2748600 -6.52333 -32.7155 -41.5664 -34.229 1.95169 15.2497 -41.7854 14.9485 -2.08174 TIMING: 2748600 CPU: 8688.16, 0.00314633/step Wall: 8688.16, 0.00314633/step, 1.96768 hours remaining, 236.820312 MB of memory in use. ENERGY: 2748600 4027.1224 20532.3356 14502.5743 259.9666 -203059.1168 2299.6622 0.0000 0.0000 51994.6927 -109442.7631 298.8142 -161437.4558 -109077.7946 299.7465 -7.7155 23.6869 758525.6666 -2.2680 -2.2178 PRESSURE: 2748800 308.469 -104.944 -49.9544 -104.944 -163.116 63.5146 -49.9542 63.5142 98.265 GPRESSURE: 2748800 283.227 -69.1643 -66.592 24.248 -64.6201 57.6829 86.8637 21.5978 102.555 PRESSAVG: 2748800 42.3854 -0.574517 -22.3856 -0.574444 -15.2112 19.4604 -22.3857 19.4605 25.2292 GPRESSAVG: 2748800 41.8382 -2.90582 -22.4885 0.955984 -16.2083 21.7192 -23.1867 19.7786 26.6926 TIMING: 2748800 CPU: 8688.79, 0.00313454/step Wall: 8688.79, 0.00313454/step, 1.96013 hours remaining, 236.820312 MB of memory in use. ENERGY: 2748800 4037.3784 20552.6375 14483.5526 236.2400 -203566.0409 2803.2445 0.0000 0.0000 52087.6934 -109365.2944 299.3487 -161452.9878 -109015.4941 299.9694 81.2059 107.0542 759491.9545 17.4678 17.4408 PRESSURE: 2749000 -75.6328 13.1475 -90.2115 13.1475 -102.391 -108.859 -90.2121 -108.859 265.292 GPRESSURE: 2749000 -26.2246 64.8798 -150.693 -1.84263 -126.729 -103.925 -7.2607 -193.202 315.998 PRESSAVG: 2749000 8.01523 -47.4487 -0.193987 -47.4487 -24.5801 3.89972 -0.194001 3.89973 9.15351 GPRESSAVG: 2749000 6.64851 -45.3693 0.520421 -48.4607 -23.3709 0.83068 -0.237362 5.43054 9.48885 TIMING: 2749000 CPU: 8689.42, 0.00315717/step Wall: 8689.42, 0.00315718/step, 1.97411 hours remaining, 236.820312 MB of memory in use. ENERGY: 2749000 3926.8161 20352.8107 14505.0875 238.1668 -203234.8880 2572.3073 0.0000 0.0000 52291.0520 -109348.6477 300.5174 -161639.6997 -108978.8592 299.7041 29.0894 54.3481 760712.4201 -2.4704 -2.4112 PRESSURE: 2749200 -100.801 -70.5271 38.6463 -70.5261 -450.116 -47.5877 38.6468 -47.5871 -423.21 GPRESSURE: 2749200 -165.05 -100.273 -13.1656 -151.946 -358.746 -136.121 154.784 94.1324 -365.155 PRESSAVG: 2749200 39.7534 -82.9294 32.891 -82.9293 -14.5701 -5.53032 32.891 -5.53025 6.40277 GPRESSAVG: 2749200 41.2155 -84.5283 30.8309 -81.0076 -15.1395 -4.02523 36.2861 -6.23041 5.43408 TIMING: 2749200 CPU: 8690.06, 0.00316596/step Wall: 8690.06, 0.00316596/step, 1.97943 hours remaining, 236.820312 MB of memory in use. ENERGY: 2749200 4045.7840 20665.1657 14581.4601 253.8902 -202884.7699 2003.0315 0.0000 0.0000 51935.7139 -109399.7246 298.4753 -161335.4385 -109046.3429 299.5403 -324.7089 -296.3169 762312.4695 10.5287 10.5034 PRESSURE: 2749400 -179.225 21.1034 61.8558 21.1029 63.1309 -2.63245 61.8565 -2.63227 146.712 GPRESSURE: 2749400 -134.079 13.0544 69.4044 45.6254 119.529 67.319 -38.8918 7.23434 126.162 PRESSAVG: 2749400 -32.8985 -66.2301 3.01996 -66.2301 43.4586 -10.5824 3.01988 -10.5824 1.07521 GPRESSAVG: 2749400 -33.2453 -65.5313 4.00253 -67.6239 43.8028 -10.0296 0.989004 -9.12287 1.06819 TIMING: 2749400 CPU: 8690.69, 0.00316652/step Wall: 8690.69, 0.00316652/step, 1.9796 hours remaining, 236.820312 MB of memory in use. ENERGY: 2749400 3978.7207 20424.4231 14480.8326 254.4145 -203082.1371 2454.3066 0.0000 0.0000 51987.4020 -109502.0377 298.7723 -161489.4397 -109140.1435 298.8485 10.2058 37.2040 761904.8024 3.8784 3.8752 PRESSURE: 2749600 -412.98 -4.36452 -120.877 -4.36398 53.5107 -7.09181 -120.876 -7.09244 -267.326 GPRESSURE: 2749600 -358.875 -4.91048 -216.58 -5.46309 46.3007 -23.3634 97.0908 50.6343 -236.706 PRESSAVG: 2749600 -2.18526 -14.4065 -45.1452 -14.4065 29.9306 50.9389 -45.1452 50.939 11.0739 GPRESSAVG: 2749600 -2.58599 -13.7846 -46.0539 -12.7136 29.6097 51.535 -46.7396 45.7034 11.3395 TIMING: 2749600 CPU: 8691.31, 0.0031276/step Wall: 8691.31, 0.0031276/step, 1.9551 hours remaining, 236.820312 MB of memory in use. ENERGY: 2749600 3995.1523 20349.4852 14515.7170 236.0936 -202997.9620 2255.9549 0.0000 0.0000 52358.2289 -109287.3300 300.9035 -161645.5589 -108912.4844 299.0792 -208.9319 -183.0934 761678.9126 12.9398 12.7877 PRESSURE: 2749800 -45.0999 -138.178 -250.747 -138.178 -274.631 309.196 -250.748 309.195 -501.991 GPRESSURE: 2749800 0.309942 -20.9237 -228.887 -160.287 -255.978 278.663 -327.771 342.107 -483.925 PRESSAVG: 2749800 -6.2432 -13.9178 -65.0782 -13.9178 32.5651 -14.7944 -65.0781 -14.7945 -5.14445 GPRESSAVG: 2749800 -6.46972 -14.3467 -63.2825 -15.7802 32.4831 -15.9775 -65.4216 -10.2223 -4.4785 TIMING: 2749800 CPU: 8691.95, 0.00315726/step Wall: 8691.95, 0.00315726/step, 1.97346 hours remaining, 236.820312 MB of memory in use. ENERGY: 2749800 4011.9346 20525.7676 14485.5160 245.2099 -203022.7511 2328.7226 0.0000 0.0000 52232.3790 -109193.2214 300.1802 -161425.6004 -108842.0123 299.7057 -273.9075 -246.5311 762479.4191 7.0592 7.1783 PRESSURE: 2750000 117.888 70.6383 -284.678 70.6383 517.299 158.164 -284.678 158.164 -494.449 GPRESSURE: 2750000 183.375 -22.78 -274.409 1.95428 504.527 168.209 -230.657 110.742 -435.173 PRESSAVG: 2750000 13.2194 -18.8342 -60.175 -18.8342 14.4428 1.79938 -60.1751 1.79931 -8.09228 GPRESSAVG: 2750000 12.4535 -19.3535 -60.7924 -19.5243 14.7542 1.60689 -59.2507 -0.0794269 -7.4884 TIMING: 2750000 CPU: 8692.57, 0.00313637/step Wall: 8692.57, 0.00313637/step, 1.96023 hours remaining, 236.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2750000 3956.1778 20440.3609 14514.4292 236.6309 -203084.4319 2449.9272 0.0000 0.0000 52123.1351 -109363.7708 299.5524 -161486.9059 -108993.3092 299.9657 46.9128 84.2434 759961.8513 6.5233 6.5731 PRESSURE: 2750200 -112.293 -144.654 119.859 -144.654 -280.138 92.8385 119.859 92.8383 -284.435 GPRESSURE: 2750200 -118.278 -127.56 73.5195 -77.8932 -226.62 65.8963 60.0664 121.995 -257.034 PRESSAVG: 2750200 -36.6074 -36.2614 -48.0613 -36.2613 -16.4004 11.5532 -48.0613 11.5533 -9.25857 GPRESSAVG: 2750200 -36.2819 -37.3506 -48.4079 -35.1933 -16.771 12.5053 -49.291 12.1714 -9.51342 TIMING: 2750200 CPU: 8693.2, 0.0031581/step Wall: 8693.2, 0.0031581/step, 1.97364 hours remaining, 236.820312 MB of memory in use. ENERGY: 2750200 3987.4360 20461.4313 14495.2577 251.1683 -203284.2206 2511.0379 0.0000 0.0000 52012.8932 -109564.9962 298.9188 -161577.8894 -109210.2858 298.9871 -225.6224 -200.6438 761454.7365 -20.7555 -20.8554 PRESSURE: 2750400 -582.121 27.3863 -11.2179 27.3848 -24.2839 173.601 -11.2186 173.6 376.271 GPRESSURE: 2750400 -423.573 -35.2864 66.1952 -54.0172 30.6586 190.196 -14.8833 206.796 263.341 PRESSAVG: 2750400 15.4085 -27.6363 -52.8055 -27.6363 44.2508 -32.7139 -52.8055 -32.7139 -0.830121 GPRESSAVG: 2750400 16.7185 -28.3856 -53.4414 -28.6118 44.3595 -34.8234 -51.9462 -33.4687 -2.51393 TIMING: 2750400 CPU: 8693.83, 0.00313989/step Wall: 8693.83, 0.00313989/step, 1.96209 hours remaining, 236.820312 MB of memory in use. ENERGY: 2750400 4017.1143 20505.6129 14531.2544 248.0369 -203131.0999 2368.1376 0.0000 0.0000 51920.3876 -109540.5563 298.3872 -161460.9439 -109187.0369 299.2138 -76.7112 -43.1913 760603.4291 19.6097 19.5214 PRESSURE: 2750600 -341.449 -252.138 82.8748 -252.138 95.8332 -17.6817 82.875 -17.6815 -50.3211 GPRESSURE: 2750600 -194.566 -157.362 -20.4385 -330.337 119.784 35.4155 48.3175 5.54529 -127.44 PRESSAVG: 2750600 14.8921 -29.9736 0.0191614 -29.9736 3.03446 10.4222 0.0190917 10.4222 -11.2634 GPRESSAVG: 2750600 14.0343 -25.7649 0.362405 -30.2121 3.10162 10.577 -1.08883 13.2517 -10.6195 TIMING: 2750600 CPU: 8694.46, 0.00312976/step Wall: 8694.46, 0.00312976/step, 1.95558 hours remaining, 236.820312 MB of memory in use. ENERGY: 2750600 3971.7483 20523.5851 14551.8731 267.5469 -203517.2454 2487.7915 0.0000 0.0000 52229.4008 -109485.2998 300.1631 -161714.7006 -109111.9867 299.0618 -98.6457 -67.4074 760148.6895 2.2211 2.1721 PRESSURE: 2750800 0.578722 44.7675 6.42357 44.7674 -302.935 -198.532 6.42318 -198.533 -388.115 GPRESSURE: 2750800 8.33139 40.3621 -10.2372 -6.68448 -294.951 -141.284 -53.1213 -145.524 -293.482 PRESSAVG: 2750800 20.5384 -55.4774 -2.77842 -55.4774 1.97013 -14.2177 -2.77843 -14.2177 -2.27828 GPRESSAVG: 2750800 20.9921 -58.228 -2.62891 -53.596 1.55761 -11.6728 -1.35938 -19.061 -1.98819 TIMING: 2750800 CPU: 8695.09, 0.00313425/step Wall: 8695.09, 0.00313425/step, 1.95821 hours remaining, 236.820312 MB of memory in use. ENERGY: 2750800 3994.7560 20452.6584 14537.3183 244.7895 -203599.5995 2700.9993 0.0000 0.0000 52037.6698 -109631.4082 299.0612 -161669.0780 -109274.0183 299.0075 -230.1571 -193.3671 760756.4173 6.7434 6.8538 PRESSURE: 2751000 -72.5946 -11.0507 34.2934 -11.0505 23.0833 125.281 34.2932 125.281 -57.0383 GPRESSURE: 2751000 -131.715 -17.4677 100.857 156.119 59.6814 116.329 -10.1047 114.276 48.589 PRESSAVG: 2751000 10.0532 -45.5016 -35.9173 -45.5016 -21.0874 29.29 -35.9173 29.29 19.0933 GPRESSAVG: 2751000 8.8154 -45.7208 -36.3299 -46.0184 -20.9105 27.5097 -37.9444 30.735 20.1706 TIMING: 2751000 CPU: 8695.71, 0.00314765/step Wall: 8695.71, 0.00314765/step, 1.9664 hours remaining, 236.820312 MB of memory in use. ENERGY: 2751000 4033.9883 20456.6469 14421.4909 241.8990 -203436.8383 2579.3922 0.0000 0.0000 52109.1805 -109594.2405 299.4722 -161703.4209 -109231.7860 298.6578 -35.5165 -7.8148 761368.9391 2.6864 2.6918 PRESSURE: 2751200 -295.387 25.8739 -82.3057 25.8743 -267.013 93.0463 -82.305 93.0465 76.7666 GPRESSURE: 2751200 -269.029 89.8595 -80.6487 35.4762 -169.38 72.8059 21.4176 145.87 52.8753 PRESSAVG: 2751200 37.1765 -39.0308 -23.142 -39.0308 -14.4704 -14.0431 -23.142 -14.0431 15.9734 GPRESSAVG: 2751200 38.565 -39.585 -22.7363 -40.0429 -14.5114 -12.3185 -21.1337 -12.6363 14.7863 TIMING: 2751200 CPU: 8696.34, 0.00313117/step Wall: 8696.34, 0.00313117/step, 1.95594 hours remaining, 236.820312 MB of memory in use. ENERGY: 2751200 4013.8453 20534.0397 14484.9826 254.0442 -203271.6256 2230.8539 0.0000 0.0000 51963.1731 -109790.6869 298.6331 -161753.8599 -109432.4499 298.3554 -161.8780 -128.5113 759833.5110 12.8931 12.9466 PRESSURE: 2751400 -241.66 -181.06 28.6028 -181.059 -61.1783 -85.8265 28.603 -85.8267 -293.509 GPRESSURE: 2751400 -99.8818 63.986 84.7444 -224.255 -70.5959 -108.234 26.5972 -51.4178 -328.322 PRESSAVG: 2751400 25.4539 2.00436 -12.3786 2.0043 -13.2638 -32.7983 -12.3786 -32.7984 -2.44085 GPRESSAVG: 2751400 25.0571 2.94017 -11.5149 4.1802 -12.1146 -33.6323 -13.4743 -34.4021 -2.70053 TIMING: 2751400 CPU: 8696.97, 0.00315382/step Wall: 8696.97, 0.00315382/step, 1.96991 hours remaining, 236.820312 MB of memory in use. ENERGY: 2751400 3983.6965 20381.2577 14518.2453 261.0504 -203578.4069 2414.9838 0.0000 0.0000 52244.3646 -109774.8086 300.2491 -162019.1732 -109412.8950 298.9256 -198.7827 -166.2666 760772.5175 3.2498 3.4140 PRESSURE: 2751600 -320.459 -237.131 -5.04459 -237.131 229.99 49.8428 -5.04402 49.8419 -85.1383 GPRESSURE: 2751600 -206.122 -110.758 -26.8459 -105.505 212.843 12.1019 -28.792 -15.017 -111.065 PRESSAVG: 2751600 -30.0621 15.2044 -0.712769 15.2044 -23.808 1.19024 -0.712751 1.19022 -1.66646 GPRESSAVG: 2751600 -28.1784 14.3903 -2.06213 14.8727 -24.6703 1.80029 0.355904 2.80757 -2.68763 TIMING: 2751600 CPU: 8697.6, 0.00315943/step Wall: 8697.6, 0.00315943/step, 1.97324 hours remaining, 236.820312 MB of memory in use. ENERGY: 2751600 4062.2149 20559.4216 14419.1954 253.4941 -203311.2002 2395.9794 0.0000 0.0000 51975.6766 -109645.2183 298.7049 -161620.8949 -109282.5493 299.0013 -58.5357 -34.7812 762322.4478 -18.5122 -18.5121 PRESSURE: 2751800 -55.9612 162.929 -9.87248 162.929 15.7382 -229.588 -9.8726 -229.588 140.101 GPRESSURE: 2751800 10.1522 72.3262 -131.253 260.211 -4.98449 -237.551 92.3104 -240.657 149.339 PRESSAVG: 2751800 -26.2384 34.477 -25.4867 34.4769 3.77673 -31.2798 -25.4866 -31.2797 -2.22335 GPRESSAVG: 2751800 -28.1309 34.8495 -25.788 34.298 3.81138 -31.5152 -27.3522 -32.8557 -0.393448 TIMING: 2751800 CPU: 8698.23, 0.00314037/step Wall: 8698.23, 0.00314037/step, 1.96116 hours remaining, 236.820312 MB of memory in use. ENERGY: 2751800 3936.9574 20765.0853 14399.7866 246.9220 -203686.7857 2503.3627 0.0000 0.0000 52414.1462 -109420.5255 301.2248 -161834.6717 -109048.7898 299.5976 33.2927 51.5021 759623.7868 -8.2283 -8.2376 PRESSURE: 2752000 86.5364 -218.304 116.351 -218.305 519.625 -107.345 116.35 -107.345 295.311 GPRESSURE: 2752000 108.025 -262.725 215.057 -146.243 587.45 -28.0096 179.957 -45.175 298.879 PRESSAVG: 2752000 22.8113 51.6648 5.54112 51.6648 -8.56744 -34.833 5.54105 -34.8331 10.1795 GPRESSAVG: 2752000 23.8594 50.3249 6.51827 51.4699 -8.06504 -36.4792 5.58205 -31.5962 9.48059 TIMING: 2752000 CPU: 8698.86, 0.00315149/step Wall: 8698.86, 0.00315149/step, 1.96793 hours remaining, 236.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2752000 3995.3049 20679.8826 14430.5235 235.1515 -204226.7458 2975.1578 0.0000 0.0000 52282.8304 -109627.8952 300.4701 -161910.7255 -109258.0602 299.7011 300.4908 331.4516 758078.2423 8.1411 8.4250 PRESSURE: 2752200 2.99511 1.15232 94.3868 1.15201 -90.3785 30.754 94.3869 30.7537 -188.563 GPRESSURE: 2752200 72.2603 -3.91175 35.9237 -21.3972 -105.694 80.7696 134.107 55.3432 -174.21 PRESSAVG: 2752200 68.0596 20.885 -17.6914 20.885 -40.2447 -50.084 -17.6915 -50.0842 5.29334 GPRESSAVG: 2752200 67.9041 20.1163 -18.5236 20.2838 -41.3695 -48.7626 -15.9741 -52.9864 6.67331 TIMING: 2752200 CPU: 8699.49, 0.00316006/step Wall: 8699.49, 0.00316006/step, 1.9731 hours remaining, 236.820312 MB of memory in use. ENERGY: 2752200 4017.9217 20451.6797 14510.2818 250.3462 -203153.7081 2379.7855 0.0000 0.0000 51839.1866 -109704.5065 297.9205 -161543.6931 -109350.3777 299.1289 -91.9822 -69.2146 759520.6289 11.0361 11.0693 LDB: ============= START OF LOAD BALANCING ============== 8711.89 LDB: ============== END OF LOAD BALANCING =============== 8711.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8711.89 LDB: ============= START OF LOAD BALANCING ============== 8712.21 LDB: Largest compute 7033 load 0.035286 is 18.0% of average load 0.196093 LDB: Average compute 0.004386 is 2.2% of average load 0.196093 LDB: TIME 8712.21 LOAD: AVG 0.196093 MAX 0.216823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 8712.21 LOAD: AVG 0.196093 MAX 0.216823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 8712.21 LOAD: AVG 0.196093 MAX 0.216823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 8712.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8712.22 PRESSURE: 2752400 -154.245 159.012 -317.357 159.012 -226.429 6.44433 -317.357 6.44366 -164.798 GPRESSURE: 2752400 -130.279 150.15 -278.302 18.318 -153.969 40.6502 -178.649 57.1664 -173.71 PRESSAVG: 2752400 9.84961 -19.7316 -15.8765 -19.7316 -15.3683 -4.21686 -15.8765 -4.21699 2.72986 GPRESSAVG: 2752400 10.7003 -18.3422 -13.1251 -19.1758 -15.4362 -5.97802 -16.1608 -3.78847 2.18147 TIMING: 2752400 CPU: 8700.14, 0.00321041/step Wall: 8700.14, 0.00321041/step, 2.00436 hours remaining, 238.160156 MB of memory in use. ENERGY: 2752400 4050.4865 20417.7085 14537.6237 242.9764 -203508.8823 2367.2482 0.0000 0.0000 52086.2756 -109806.5634 299.3405 -161892.8390 -109436.7618 298.8140 -181.8240 -152.6528 759878.6638 -0.9296 -0.8515 PRESSURE: 2752600 110.9 -378.378 -22.5029 -378.378 -70.0699 124.983 -22.5041 124.983 -116.719 GPRESSURE: 2752600 128.151 -346.364 -12.4006 -339.646 -55.5679 130.591 -16.3125 101.785 -56.7969 PRESSAVG: 2752600 43.5294 -65.725 -4.88971 -65.725 -5.31189 -36.7371 -4.88974 -36.737 2.00049 GPRESSAVG: 2752600 42.5087 -64.1886 -7.65667 -65.3638 -3.31886 -34.2088 -3.6764 -34.9897 1.52537 TIMING: 2752600 CPU: 8700.77, 0.00314707/step Wall: 8700.77, 0.00314707/step, 1.96465 hours remaining, 238.304688 MB of memory in use. ENERGY: 2752600 4034.3210 20502.2526 14623.6200 241.6525 -203366.0486 2426.1719 0.0000 0.0000 51842.0674 -109695.9631 297.9371 -161538.0306 -109330.5682 298.9451 -25.2962 5.2621 758873.3281 13.4060 13.5718 PRESSURE: 2752800 -120.367 -180.818 176.057 -180.818 179.291 -198.323 176.057 -198.322 -90.4208 GPRESSURE: 2752800 21.9715 -182.467 139.216 -182.04 68.7911 -251.466 176.336 -193.453 -33.8906 PRESSAVG: 2752800 46.4136 6.61387 5.6931 6.61385 -42.4425 -66.5282 5.69308 -66.5283 9.85487 GPRESSAVG: 2752800 47.806 5.84573 6.26232 6.40493 -44.5195 -68.6037 4.86652 -65.8765 10.7666 TIMING: 2752800 CPU: 8701.39, 0.00314523/step Wall: 8701.39, 0.00314523/step, 1.96332 hours remaining, 238.304688 MB of memory in use. ENERGY: 2752800 3985.3373 20540.9082 14525.8101 264.4333 -203733.1013 2677.7562 0.0000 0.0000 51875.4123 -109863.4439 298.1287 -161738.8563 -109509.4245 298.5030 -10.4991 18.9573 759132.7002 4.6087 4.6844 PRESSURE: 2753000 84.9066 124.064 -112.874 124.064 -380.38 62.5048 -112.873 62.5051 -584.172 GPRESSURE: 2753000 43.304 -72.6138 -109.541 200.456 -288.204 28.38 -50.1043 56.8396 -541.893 PRESSAVG: 2753000 13.0293 -21.7312 15.0691 -21.7312 -19.5874 -58.2652 15.069 -58.2653 -26.8044 GPRESSAVG: 2753000 12.5422 -20.9444 14.8648 -20.473 -18.5314 -56.6346 14.4265 -59.5214 -27.6155 TIMING: 2753000 CPU: 8702.03, 0.00315928/step Wall: 8702.03, 0.00315928/step, 1.97191 hours remaining, 238.304688 MB of memory in use. ENERGY: 2753000 3991.5356 20560.6039 14509.9155 257.6521 -203303.7714 2400.4673 0.0000 0.0000 52027.9510 -109555.6461 299.0053 -161583.5971 -109185.2968 298.9903 -293.2154 -262.2642 762685.1645 -11.1208 -11.2016 PRESSURE: 2753200 565.882 32.8863 52.8495 32.8866 333.911 -200.222 52.8498 -200.223 137.422 GPRESSURE: 2753200 631.901 19.6387 141.335 46.8002 293.228 -189.675 -7.26091 -285.238 183.317 PRESSAVG: 2753200 19.8637 2.04142 -15.1819 2.04139 -25.4047 -83.4358 -15.1819 -83.4359 5.40445 GPRESSAVG: 2753200 20.0928 0.885493 -13.778 1.06614 -25.3064 -83.4727 -14.6939 -83.4876 4.80113 TIMING: 2753200 CPU: 8702.66, 0.00315755/step Wall: 8702.66, 0.00315755/step, 1.97066 hours remaining, 238.304688 MB of memory in use. ENERGY: 2753200 3920.8447 20725.4899 14539.0886 236.9246 -204066.7412 2945.3756 0.0000 0.0000 52177.5328 -109521.4851 299.8650 -161699.0179 -109153.6239 299.3469 345.7387 369.4816 760878.3004 -0.0455 -0.1375 PRESSURE: 2753400 -218.342 25.9542 179.26 25.9534 -384.387 -71.1657 179.26 -71.166 -116.31 GPRESSURE: 2753400 -212.243 -49.1775 184.283 88.2196 -316.548 -101.33 67.1974 11.0165 -92.3244 PRESSAVG: 2753400 -2.97517 44.6608 -47.7164 44.6607 -13.4262 -6.90794 -47.7164 -6.90795 -11.2726 GPRESSAVG: 2753400 -3.27637 43.1211 -47.4419 44.4293 -15.0573 -9.90171 -48.9044 -4.65179 -9.30467 TIMING: 2753400 CPU: 8703.29, 0.00313632/step Wall: 8703.29, 0.00313632/step, 1.95724 hours remaining, 238.304688 MB of memory in use. ENERGY: 2753400 3943.3968 20517.7624 14485.9712 262.6119 -203278.5064 2458.0289 0.0000 0.0000 52039.1243 -109571.6109 299.0696 -161610.7352 -109209.9735 299.3313 -239.6794 -207.0385 762773.6435 -9.2247 -9.2128 PRESSURE: 2753600 279.036 45.1441 237.093 45.1427 81.7793 -72.16 237.092 -72.1602 114.94 GPRESSURE: 2753600 285.752 -81.3675 101.503 4.75148 169.647 -29.1507 284.43 -100.145 86.851 PRESSAVG: 2753600 55.6945 1.22165 -6.76727 1.22164 -81.3714 51.0603 -6.76725 51.0603 -25.1554 GPRESSAVG: 2753600 56.3273 2.43885 -5.4905 1.05852 -80.112 52.6195 -5.52652 48.701 -26.77 TIMING: 2753600 CPU: 8703.91, 0.00314046/step Wall: 8703.91, 0.00314046/step, 1.95965 hours remaining, 238.304688 MB of memory in use. ENERGY: 2753600 3980.5785 20628.5431 14471.0033 234.1865 -203317.4125 2400.0317 0.0000 0.0000 51928.8371 -109674.2324 298.4357 -161603.0695 -109316.4522 299.0574 158.5850 180.7498 760257.6181 -16.9441 -16.8515 PRESSURE: 2753800 72.473 98.8263 -139.616 98.8255 368.722 184.45 -139.616 184.45 173.745 GPRESSURE: 2753800 149.183 49.8459 -109.34 183.168 306.539 193.937 81.6301 179.569 232.922 PRESSAVG: 2753800 37.213 -62.9529 -6.0376 -62.9529 -9.67318 -5.80338 -6.03757 -5.80327 -10.6797 GPRESSAVG: 2753800 35.7437 -62.1048 -8.4177 -63.8527 -8.90912 -5.70925 -4.36599 -6.35232 -10.0015 TIMING: 2753800 CPU: 8704.55, 0.00316747/step Wall: 8704.55, 0.00316747/step, 1.97633 hours remaining, 238.304688 MB of memory in use. ENERGY: 2753800 4039.1056 20640.0601 14491.5492 264.3468 -203271.5757 2477.1669 0.0000 0.0000 52060.2010 -109299.1461 299.1907 -161359.3472 -108939.6184 299.3435 204.9801 229.5479 760770.4774 5.6200 5.6110 PRESSURE: 2754000 -73.2 -79.857 91.3489 -79.8566 -81.6028 20.4716 91.3487 20.4711 82.3957 GPRESSURE: 2754000 39.3307 4.75221 89.9087 -193.183 -89.5941 29.4549 117.98 -31.1658 61.5419 PRESSAVG: 2754000 -5.37888 -30.3873 7.64819 -30.3873 -13.9213 43.1195 7.64821 43.1195 4.92416 GPRESSAVG: 2754000 -4.31199 -32.4623 7.82045 -29.2833 -15.2444 44.1967 7.03319 43.4961 4.89955 TIMING: 2754000 CPU: 8705.18, 0.0031654/step Wall: 8705.18, 0.0031654/step, 1.97486 hours remaining, 238.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2754000 3970.5620 20770.8640 14570.7762 244.4824 -203470.2001 2745.7508 0.0000 0.0000 52029.2695 -109138.4951 299.0129 -161167.7646 -108784.9879 299.3057 -24.1357 3.7595 761634.6620 -4.7920 -4.8856 PRESSURE: 2754200 -361.277 -310.578 192.393 -310.578 -195.383 -122.029 192.391 -122.029 -626.044 GPRESSURE: 2754200 -303.464 -202.518 172.114 -264.519 -236.471 -79.4847 247.308 107.211 -565.33 PRESSAVG: 2754200 3.77165 -43.2579 46.4544 -43.258 -20.8506 40.1184 46.4544 40.1183 -7.24549 GPRESSAVG: 2754200 3.33044 -41.2195 46.6838 -44.2232 -20.0026 41.9237 45.0059 39.2843 -7.63873 TIMING: 2754200 CPU: 8705.81, 0.00316244/step Wall: 8705.81, 0.00316244/step, 1.97283 hours remaining, 238.304688 MB of memory in use. ENERGY: 2754200 4025.1733 20619.3216 14569.2856 248.9456 -202719.8153 2159.0285 0.0000 0.0000 52095.7814 -109002.2793 299.3952 -161098.0607 -108648.7979 299.9813 -394.2344 -368.4218 761653.8674 -8.1082 -8.1036 PRESSURE: 2754400 62.7991 -6.29306 31.8089 -6.29255 -194.159 -307.032 31.8095 -307.032 -101.704 GPRESSURE: 2754400 12.2169 -32.7687 27.993 27.5115 -7.9211 -340.583 131.675 -333.543 -142.884 PRESSAVG: 2754400 22.2249 -20.5699 14.8131 -20.5699 -23.3749 -9.68824 14.8131 -9.6883 -14.778 GPRESSAVG: 2754400 21.9285 -20.6525 15.3849 -21.0448 -23.9832 -10.9901 14.3125 -6.6701 -13.9762 TIMING: 2754400 CPU: 8706.45, 0.00316504/step Wall: 8706.45, 0.00316504/step, 1.97428 hours remaining, 238.304688 MB of memory in use. ENERGY: 2754400 3979.8463 20627.9808 14565.4706 248.6927 -203140.1448 2395.1736 0.0000 0.0000 52192.9045 -109130.0763 299.9533 -161322.9808 -108768.5426 299.9083 -77.6878 -46.1961 762021.1716 -5.3093 -5.3437 PRESSURE: 2754600 222.045 72.2715 71.419 72.272 176.976 -87.9817 71.4193 -87.9807 75.3906 GPRESSURE: 2754600 233.327 65.3454 26.8226 149.197 213.727 -139.016 64.9529 -20.5156 131.895 PRESSAVG: 2754600 89.3471 -70.9171 -11.4817 -70.9172 -43.4546 -45.9401 -11.4817 -45.94 2.21487 GPRESSAVG: 2754600 89.1468 -70.563 -12.3943 -70.7066 -42.0026 -47.4307 -9.84616 -48.8625 1.3442 TIMING: 2754600 CPU: 8707.08, 0.00317158/step Wall: 8707.08, 0.00317158/step, 1.97819 hours remaining, 238.304688 MB of memory in use. ENERGY: 2754600 4031.0705 20503.0669 14603.4345 240.0846 -203514.7100 2708.7161 0.0000 0.0000 52175.2737 -109253.0637 299.8520 -161428.3374 -108891.0205 299.5525 158.1371 192.9831 762452.7647 16.0358 16.1628 PRESSURE: 2754800 -280.505 85.5405 106.913 85.5406 4.01343 96.5575 106.912 96.5576 -29.4488 GPRESSURE: 2754800 -204.653 145.649 123.99 -0.247883 29.8831 130.136 63.9137 -35.7344 -39.146 PRESSAVG: 2754800 -5.57396 -33.4161 34.7094 -33.416 32.6739 34.8891 34.7094 34.8891 16.0947 GPRESSAVG: 2754800 -6.07044 -33.4233 36.4783 -35.6338 33.2647 34.4323 33.5169 37.199 16.0596 TIMING: 2754800 CPU: 8707.71, 0.00315892/step Wall: 8707.71, 0.00315892/step, 1.97011 hours remaining, 238.304688 MB of memory in use. ENERGY: 2754800 4029.6982 20512.4889 14607.5660 238.3721 -202918.1950 2321.2837 0.0000 0.0000 51883.0449 -109325.7412 298.1726 -161208.7861 -108962.9102 299.5708 -101.9800 -71.3054 762426.8415 14.3982 14.4179 PRESSURE: 2755000 -209.027 -171.533 107.742 -171.533 -502.836 -37.5705 107.742 -37.5707 227.968 GPRESSURE: 2755000 -211.931 -166.556 168.725 -100.159 -450.157 21.5923 56.7052 -15.3079 257.174 PRESSAVG: 2755000 2.32176 2.96798 51.1602 2.96798 -29.5404 42.0699 51.1602 42.0699 11.6115 GPRESSAVG: 2755000 2.56574 3.33118 50.0008 5.31469 -31.0316 42.9906 52.726 41.4558 12.9446 TIMING: 2755000 CPU: 8708.34, 0.00315639/step Wall: 8708.34, 0.00315639/step, 1.96836 hours remaining, 238.304688 MB of memory in use. ENERGY: 2755000 4015.8863 20644.7897 14534.3605 240.8858 -203372.3703 2479.0631 0.0000 0.0000 52047.7687 -109409.6163 299.1192 -161457.3850 -109049.7878 299.6192 -161.2984 -134.9714 761692.1241 -5.2024 -5.1737 PRESSURE: 2755200 132.949 -69.1319 36.113 -69.1325 152.619 38.3715 36.1132 38.3713 405.624 GPRESSURE: 2755200 180.315 -5.59949 -7.65285 -74.5783 213.192 61.5491 -72.1826 13.3146 391.508 PRESSAVG: 2755200 69.8303 -47.2725 20.4032 -47.2725 -0.469974 15.1723 20.4032 15.1723 22.4951 GPRESSAVG: 2755200 70.077 -47.2586 20.2204 -48.3902 -0.170819 15.1106 18.6689 13.8771 21.9092 TIMING: 2755200 CPU: 8708.97, 0.00314203/step Wall: 8708.97, 0.00314203/step, 1.95923 hours remaining, 238.304688 MB of memory in use. ENERGY: 2755200 3947.1418 20578.3671 14486.1421 230.6437 -203835.8589 3031.2748 0.0000 0.0000 52159.1857 -109403.1038 299.7596 -161562.2895 -109050.7396 299.3426 230.3976 261.6715 760745.1562 30.6185 30.6051 PRESSURE: 2755400 121.666 0.815858 82.1178 0.816712 -124.715 239.532 82.1178 239.532 -191.493 GPRESSURE: 2755400 138.222 54.4724 89.8158 -3.76165 -102.479 299.578 93.5241 36.8472 -129.765 PRESSAVG: 2755400 4.80965 -13.6673 -6.39145 -13.6673 0.011164 5.30486 -6.39147 5.30491 -12.8657 GPRESSAVG: 2755400 3.90737 -16.5525 -5.92883 -12.9356 1.08376 5.2474 -4.08288 7.42338 -12.7679 TIMING: 2755400 CPU: 8709.6, 0.00316724/step Wall: 8709.6, 0.00316724/step, 1.97478 hours remaining, 238.304688 MB of memory in use. ENERGY: 2755400 4010.5610 20671.2294 14384.5172 239.8776 -203304.0080 2670.7317 0.0000 0.0000 51945.3827 -109381.7084 298.5308 -161327.0910 -109030.8034 299.4360 -64.8472 -31.3407 762722.2614 -2.6816 -2.5923 PRESSURE: 2755600 -239.868 -167.135 -27.2693 -167.136 -329.232 -152.829 -27.27 -152.828 -146.03 GPRESSURE: 2755600 -187.644 -110.609 44.2772 -193.965 -350.203 -81.1953 19.8236 -224.616 -79.6371 PRESSAVG: 2755600 -17.4728 43.4712 51.6138 43.4712 25.725 -21.7635 51.6138 -21.7634 15.2879 GPRESSAVG: 2755600 -16.4411 45.2157 51.3836 43.3065 24.6551 -24.0377 50.7319 -20.494 15.137 TIMING: 2755600 CPU: 8710.24, 0.0031772/step Wall: 8710.24, 0.0031772/step, 1.98081 hours remaining, 238.304688 MB of memory in use. ENERGY: 2755600 3949.6651 20387.9713 14532.6495 261.4950 -203071.4265 2384.6812 0.0000 0.0000 52045.5788 -109509.3857 299.1067 -161554.9645 -109144.9766 299.3015 -238.3767 -205.8281 760898.9011 7.8467 7.7837 PRESSURE: 2755800 -190.774 -294.189 -214.988 -294.189 44.681 103.647 -214.989 103.646 -81.4605 GPRESSURE: 2755800 -165.394 -309.523 -143.719 -245.676 47.0919 7.23254 -181.13 169.599 -3.16548 PRESSAVG: 2755800 29.4691 4.72691 15.104 4.72686 -14.8926 10.3547 15.1039 10.3547 -11.3454 GPRESSAVG: 2755800 31.1722 5.37876 13.155 4.17068 -14.8412 12.9897 15.134 6.1962 -11.8795 TIMING: 2755800 CPU: 8710.87, 0.00316405/step Wall: 8710.87, 0.00316405/step, 1.97244 hours remaining, 238.304688 MB of memory in use. ENERGY: 2755800 3981.4619 20455.4464 14491.4596 246.4534 -203485.3479 2641.6752 0.0000 0.0000 52254.9364 -109413.9150 300.3098 -161668.8514 -109044.5643 299.5493 -75.8511 -40.4892 761092.3863 1.0770 1.4838 PRESSURE: 2756000 -50.4791 -6.04163 -27.52 -6.04059 -251.335 -161.717 -27.5188 -161.718 14.2336 GPRESSURE: 2756000 -123 -64.3027 -75.3395 -5.31368 -146.427 -147.055 105.907 -194.387 73.2217 PRESSAVG: 2756000 -22.4289 -16.4042 18.3631 -16.4042 44.6511 5.52823 18.3631 5.52812 11.8877 GPRESSAVG: 2756000 -23.5277 -18.9062 20.7569 -15.7318 45.8206 3.58305 15.4454 8.17491 12.483 TIMING: 2756000 CPU: 8711.5, 0.00314842/step Wall: 8711.5, 0.00314842/step, 1.96251 hours remaining, 238.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2756000 4068.5910 20491.8328 14547.0039 235.7331 -203594.1009 2704.8921 0.0000 0.0000 52198.8452 -109347.2029 299.9875 -161546.0480 -108987.4385 299.9124 -95.8601 -65.4018 760137.8218 11.3699 11.5919 PRESSURE: 2756200 63.7682 -42.1593 -97.6271 -42.1601 -24.7521 12.5229 -97.6271 12.5224 -9.66252 GPRESSURE: 2756200 118.006 -73.4072 -39.7161 -117.433 4.45645 -57.2677 -82.0062 96.0006 7.14405 PRESSAVG: 2756200 -6.21796 1.32812 22.0564 1.32812 38.0611 8.36486 22.0564 8.36492 9.89918 GPRESSAVG: 2756200 -6.42597 3.43039 22.2699 0.274738 37.7889 7.90019 24.7325 5.35683 10.3704 TIMING: 2756200 CPU: 8712.13, 0.00315326/step Wall: 8712.13, 0.00315326/step, 1.96536 hours remaining, 238.304688 MB of memory in use. ENERGY: 2756200 3950.3446 20423.9431 14505.1711 238.2426 -203142.6543 2582.6346 0.0000 0.0000 52214.0885 -109228.2299 300.0751 -161442.3184 -108864.3978 299.6756 9.7845 43.2020 761160.2366 13.9141 13.9111 LDB: ============= START OF LOAD BALANCING ============== 8724.53 LDB: ============== END OF LOAD BALANCING =============== 8724.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8724.53 LDB: ============= START OF LOAD BALANCING ============== 8724.85 LDB: Largest compute 7033 load 0.034546 is 17.6% of average load 0.196098 LDB: Average compute 0.004378 is 2.2% of average load 0.196098 LDB: TIME 8724.85 LOAD: AVG 0.196098 MAX 0.2175 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.172 MB LDB: TIME 8724.85 LOAD: AVG 0.196098 MAX 0.2175 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: TIME 8724.85 LOAD: AVG 0.196098 MAX 0.2175 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: ============== END OF LOAD BALANCING =============== 8724.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8724.86 PRESSURE: 2756400 -123.817 72.9459 -122.755 72.9466 -277.951 -246.943 -122.754 -246.943 93.6421 GPRESSURE: 2756400 -82.0176 13.3456 -76.2606 31.025 -285.296 -96.1373 -173.952 -306.276 157.196 PRESSAVG: 2756400 -15.806 -29.111 5.20964 -29.1111 -3.26716 42.4313 5.20963 42.4313 -15.2907 GPRESSAVG: 2756400 -16.7957 -28.7682 3.26393 -28.8292 -2.97373 45.6469 5.5938 41.8867 -14.6064 TIMING: 2756400 CPU: 8712.78, 0.00321759/step Wall: 8712.78, 0.00321759/step, 2.00527 hours remaining, 239.125000 MB of memory in use. ENERGY: 2756400 4066.8145 20514.5909 14545.8072 250.4651 -203280.6963 2436.2308 0.0000 0.0000 51939.4207 -109527.3672 298.4966 -161466.7878 -109173.6357 299.5391 -102.7086 -70.0393 759866.9534 -11.4546 -11.4586 PRESSURE: 2756600 -235.779 -91.4739 161.091 -91.474 -206.408 -47.2794 161.091 -47.2787 -52.6108 GPRESSURE: 2756600 -138.45 -150.261 34.0675 -100.804 -212.205 -70.526 175.47 44.6031 -62.7597 PRESSAVG: 2756600 7.50665 -33.9571 24.0794 -33.9571 9.1232 15.9847 24.0794 15.9848 -13.9357 GPRESSAVG: 2756600 8.97223 -36.1439 25.1334 -32.383 8.146 13.8601 22.0866 18.0851 -14.7047 TIMING: 2756600 CPU: 8713.41, 0.00314705/step Wall: 8713.41, 0.00314705/step, 1.96114 hours remaining, 239.125000 MB of memory in use. ENERGY: 2756600 3959.6746 20457.3837 14510.0427 255.3516 -203204.5198 2470.3845 0.0000 0.0000 52143.4292 -109408.2535 299.6690 -161551.6827 -109054.2052 299.4609 -164.9325 -137.8051 761340.5335 0.8980 0.8045 PRESSURE: 2756800 -251.693 231.807 -51.92 231.806 26.5376 -232.932 -51.9208 -232.931 152.502 GPRESSURE: 2756800 -159.924 169.451 -18.6259 270.066 86.7337 -294.87 4.69013 -159.656 85.7194 PRESSAVG: 2756800 -7.94887 -20.867 31.6333 -20.867 -1.22335 -22.7426 31.6333 -22.7426 10.7308 GPRESSAVG: 2756800 -8.05768 -19.2554 29.1332 -21.5911 -1.01067 -24.1617 33.5804 -21.0497 9.9805 TIMING: 2756800 CPU: 8714.04, 0.00315521/step Wall: 8714.04, 0.00315521/step, 1.96604 hours remaining, 239.125000 MB of memory in use. ENERGY: 2756800 3986.8209 20437.7277 14433.0372 243.7039 -203099.2846 2607.9290 0.0000 0.0000 52131.3961 -109258.6698 299.5999 -161390.0659 -108893.9066 300.0815 -24.2178 4.1764 762242.0833 0.5195 0.3040 PRESSURE: 2757000 -3.20201 -73.9434 123.482 -73.9443 235.063 -226.092 123.482 -226.092 131.543 GPRESSURE: 2757000 40.0229 39.9612 115.594 -11.7101 261.123 -169.25 26.0098 -201.56 128.919 PRESSAVG: 2757000 -22.3644 -60.7258 50.9889 -60.7256 2.34642 -3.76561 50.9889 -3.76562 -5.33075 GPRESSAVG: 2757000 -23.0727 -61.0553 53.144 -59.9999 3.01734 -2.2258 50.8683 -5.13071 -5.30709 TIMING: 2757000 CPU: 8714.67, 0.00315677/step Wall: 8714.67, 0.00315677/step, 1.96685 hours remaining, 239.125000 MB of memory in use. ENERGY: 2757000 4011.6494 20485.6204 14469.9916 254.7232 -203535.5006 2694.7730 0.0000 0.0000 52265.4196 -109353.3235 300.3701 -161618.7431 -108993.0978 299.8535 121.1348 143.3551 760834.9991 -8.4496 -8.4542 PRESSURE: 2757200 -455.597 36.0573 -112.524 36.0561 61.7826 210.438 -112.525 210.439 15.7048 GPRESSURE: 2757200 -436.68 3.08859 -21.2875 29.3024 137.749 329.257 -122.341 181.925 42.3792 PRESSAVG: 2757200 -37.5157 -24.8409 -1.18529 -24.8409 30.2846 41.9404 -1.18531 41.9404 10.4021 GPRESSAVG: 2757200 -38.2623 -27.1298 -0.37235 -24.8927 30.5884 43.2065 -2.84281 40.617 11.3654 TIMING: 2757200 CPU: 8715.3, 0.00315777/step Wall: 8715.3, 0.00315777/step, 1.96729 hours remaining, 239.125000 MB of memory in use. ENERGY: 2757200 4021.6523 20485.9859 14403.4579 245.8993 -203353.0644 2675.5516 0.0000 0.0000 52211.5807 -109308.9368 300.0607 -161520.5175 -108954.5892 299.7004 -126.0366 -85.5174 762433.4356 1.0570 1.2305 PRESSURE: 2757400 92.1932 -1.23763 81.7899 -1.23735 14.3508 91.5962 81.7905 91.5984 41.2472 GPRESSURE: 2757400 72.118 53.4283 107.951 51.4318 25.4471 204.488 184.077 -32.1662 125.2 PRESSAVG: 2757400 12.0232 35.6215 -4.24941 35.6214 -19.3438 40.8085 -4.2495 40.8086 -3.05745 GPRESSAVG: 2757400 14.2991 39.0871 -6.88634 36.5498 -20.5832 38.3861 -2.41736 42.5303 -3.84806 TIMING: 2757400 CPU: 8715.93, 0.00316812/step Wall: 8715.93, 0.00316812/step, 1.97356 hours remaining, 239.125000 MB of memory in use. ENERGY: 2757400 4124.0040 20444.0934 14426.8420 249.3023 -202926.4503 2201.7785 0.0000 0.0000 52060.6560 -109419.7742 299.1933 -161480.4302 -109067.3763 299.1417 49.2637 74.2552 761761.8091 -3.4593 -3.3774 PRESSURE: 2757600 124.534 41.0588 -20.9047 41.0596 210.046 348.527 -20.9046 348.527 86.275 GPRESSURE: 2757600 124.592 69.7948 -42.2042 -3.42494 208.059 323.45 -71.5438 369.459 166.486 PRESSAVG: 2757600 -55.535 -31.6631 56.0159 -31.6631 82.5822 37.2576 56.0159 37.2575 4.84081 GPRESSAVG: 2757600 -56.9232 -32.1329 56.9052 -33.4229 82.7478 36.6127 55.4384 38.0201 5.95455 TIMING: 2757600 CPU: 8716.57, 0.00316308/step Wall: 8716.57, 0.00316308/step, 1.97025 hours remaining, 239.125000 MB of memory in use. ENERGY: 2757600 3991.8160 20554.1542 14481.9164 252.4327 -203362.9487 2588.6158 0.0000 0.0000 52194.2425 -109299.7711 299.9610 -161494.0136 -108930.9205 299.0039 140.2852 166.3788 762797.5142 10.6294 10.5931 PRESSURE: 2757800 255.664 108.008 33.6338 108.007 -339.038 259.399 33.6334 259.4 -240.917 GPRESSURE: 2757800 225.705 101.145 -32.5759 16.9967 -263.764 228.923 104.038 212.747 -208.11 PRESSAVG: 2757800 16.3658 3.8942 2.07969 3.89422 -47.6115 48.8765 2.0797 48.8765 24.8706 GPRESSAVG: 2757800 15.7678 2.35581 2.56301 3.96053 -45.7705 51.8414 3.00958 48.8596 23.6417 TIMING: 2757800 CPU: 8717.2, 0.00316789/step Wall: 8717.2, 0.00316789/step, 1.97307 hours remaining, 239.125000 MB of memory in use. ENERGY: 2757800 3967.2214 20584.6352 14529.4427 249.8198 -203078.6419 2237.1954 0.0000 0.0000 52159.0596 -109351.2679 299.7588 -161510.3274 -108994.6074 299.3279 -108.0971 -82.0563 762259.1079 -2.1250 -2.1203 PRESSURE: 2758000 17.8875 104.8 -65.5235 104.8 -73.8137 120.891 -65.5233 120.891 -381.365 GPRESSURE: 2758000 46.5494 101.078 -77.335 114.557 -42.805 135.454 -138.19 76.117 -358.364 PRESSAVG: 2758000 -11.2522 -9.59786 29.2301 -9.59789 12.7788 56.7264 29.23 56.7263 3.4396 GPRESSAVG: 2758000 -10.0436 -9.08097 30.1336 -7.15189 11.6476 55.706 27.7644 57.7065 2.80083 TIMING: 2758000 CPU: 8717.83, 0.00316446/step Wall: 8717.83, 0.00316446/step, 1.97075 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2758000 4046.0404 20576.8905 14519.0133 259.4205 -203168.5208 2491.7627 0.0000 0.0000 51931.4013 -109343.9922 298.4505 -161275.3934 -108991.3257 299.1691 -145.7637 -118.2066 761734.3937 1.6554 1.4683 PRESSURE: 2758200 -488.158 99.7942 41.6568 99.7956 -81.0353 139.398 41.6572 139.398 251.071 GPRESSURE: 2758200 -365.044 151.512 4.12833 -28.4119 -59.9203 116.383 9.2069 98.5052 208.028 PRESSAVG: 2758200 -28.2579 -22.6167 37.4922 -22.6166 34.0057 57.2138 37.4922 57.2139 -8.32288 GPRESSAVG: 2758200 -29.2069 -23.6898 35.4529 -24.7332 33.2987 57.0211 37.5772 55.4648 -6.29646 TIMING: 2758200 CPU: 8718.46, 0.00314811/step Wall: 8718.46, 0.00314811/step, 1.9604 hours remaining, 239.125000 MB of memory in use. ENERGY: 2758200 4061.6179 20216.8703 14516.6017 247.9356 -202922.1024 2389.1688 0.0000 0.0000 52185.0089 -109304.8992 299.9080 -161489.9081 -108946.0159 299.7648 -106.0407 -72.3122 763375.1527 -0.8584 -0.7349 PRESSURE: 2758400 -40.1268 -15.8254 -60.1843 -15.8258 -42.2379 139.333 -60.185 139.334 10.0477 GPRESSURE: 2758400 -118.661 -89.5568 -9.11911 63.5584 99.7978 86.1189 7.13161 237.601 41.4104 PRESSAVG: 2758400 25.1146 -99.7054 24.7993 -99.7053 -4.59502 -6.63706 24.7993 -6.63697 -3.97755 GPRESSAVG: 2758400 25.4351 -100.506 26.4059 -97.4034 -4.02765 -5.98208 24.6262 -7.25633 -4.10566 TIMING: 2758400 CPU: 8719.09, 0.00315065/step Wall: 8719.09, 0.00315065/step, 1.96181 hours remaining, 239.125000 MB of memory in use. ENERGY: 2758400 3954.5582 20330.6630 14489.9981 247.3722 -203306.6802 2693.8900 0.0000 0.0000 52085.2148 -109504.9839 299.3344 -161590.1988 -109155.0634 299.6678 -24.1057 7.5157 762338.3300 5.5140 5.7673 PRESSURE: 2758600 -368.278 35.7182 -174.522 35.7174 -20.8611 239.232 -174.522 239.231 -109.437 GPRESSURE: 2758600 -275.3 -70.8431 -156.03 93.002 -41.4813 262.961 -236.316 144.291 -82.3001 PRESSAVG: 2758600 -45.2623 -90.7261 -6.19279 -90.7261 65.5846 17.1698 -6.19277 17.1698 7.51446 GPRESSAVG: 2758600 -44.067 -88.2727 -6.59688 -94.1285 65.9938 15.3392 -5.30423 17.5286 5.87208 TIMING: 2758600 CPU: 8719.72, 0.0031573/step Wall: 8719.72, 0.0031573/step, 1.96577 hours remaining, 239.125000 MB of memory in use. ENERGY: 2758600 3981.8430 20451.2003 14531.0613 257.4349 -203427.1497 2571.3546 0.0000 0.0000 52063.6527 -109570.6031 299.2105 -161634.2557 -109201.3073 298.6921 -166.1921 -133.0272 762078.8430 9.2789 9.2663 PRESSURE: 2758800 -47.535 134.638 156.389 134.637 -54.7331 22.47 156.389 22.4711 -141.873 GPRESSURE: 2758800 -74.5945 138.669 200.398 93.4636 12.6346 -14.6291 138.659 78.8265 -94.9122 PRESSAVG: 2758800 -43.5808 -70.8755 3.82195 -70.8755 58.6296 7.42114 3.822 7.42126 -6.33388 GPRESSAVG: 2758800 -44.7852 -72.5699 5.9292 -69.504 59.1327 7.39925 3.12394 8.96857 -4.92269 TIMING: 2758800 CPU: 8720.35, 0.00313722/step Wall: 8720.35, 0.00313722/step, 1.95309 hours remaining, 239.125000 MB of memory in use. ENERGY: 2758800 3971.5942 20322.5522 14522.1463 259.9133 -203036.9229 2368.2474 0.0000 0.0000 51946.3287 -109646.1407 298.5363 -161592.4694 -109288.8556 298.4104 -81.3802 -52.2907 760955.8484 2.9050 3.1416 PRESSURE: 2759000 339.312 97.2687 -81.9438 97.2693 -227.987 -227.103 -81.9452 -227.103 -151.304 GPRESSURE: 2759000 209.511 34.2212 -134.856 12.2916 -151.376 -237.237 -24.2241 -229.316 -30.409 PRESSAVG: 2759000 -8.21089 -16.9009 -3.68999 -16.9009 -25.9544 -21.2415 -3.69002 -21.2415 7.11946 GPRESSAVG: 2759000 -9.12599 -16.4069 -5.25451 -15.9309 -24.7035 -19.6379 -2.59201 -25.5297 6.22429 TIMING: 2759000 CPU: 8720.98, 0.00314605/step Wall: 8720.98, 0.00314605/step, 1.95841 hours remaining, 239.125000 MB of memory in use. ENERGY: 2759000 4028.0278 20620.6105 14409.9676 248.0202 -203394.7032 2544.7501 0.0000 0.0000 51916.8183 -109626.5087 298.3667 -161543.3270 -109271.2356 298.2015 -13.3263 9.2422 762665.7975 -9.0153 -9.2017 PRESSURE: 2759200 -31.6451 -94.5281 -164.287 -94.528 5.72573 47.3299 -164.286 47.3291 149.61 GPRESSURE: 2759200 10.3739 -62.4685 -198.238 -33.3081 3.21685 34.6759 -139.243 143.189 183.253 PRESSAVG: 2759200 74.5168 -21.7827 1.5133 -21.7827 -5.59257 -16.3265 1.51333 -16.3265 -8.68895 GPRESSAVG: 2759200 76.0195 -21.4236 0.449726 -22.0899 -7.13035 -15.9494 1.43076 -13.0214 -8.64083 TIMING: 2759200 CPU: 8721.61, 0.00315066/step Wall: 8721.61, 0.00315066/step, 1.96111 hours remaining, 239.125000 MB of memory in use. ENERGY: 2759200 4018.6175 20451.3062 14457.0173 252.3823 -203203.7364 2579.1314 0.0000 0.0000 51976.7274 -109468.5542 298.7110 -161445.2817 -109111.2867 298.6115 41.2303 65.6144 761714.9211 20.0784 20.0828 PRESSURE: 2759400 -617.489 -82.2528 164.054 -82.2546 -228.459 9.71671 164.054 9.71652 -152.523 GPRESSURE: 2759400 -461.689 -112.24 196.622 -33.9239 -218.701 70.3801 278.428 -53.1016 -237.774 PRESSAVG: 2759400 -33.9293 -43.3377 5.38848 -43.3378 16.9492 69.8514 5.38847 69.8514 6.72884 GPRESSAVG: 2759400 -34.9889 -42.7353 6.89073 -45.4225 17.7605 69.9837 6.36142 67.8948 6.7254 TIMING: 2759400 CPU: 8722.24, 0.00315997/step Wall: 8722.24, 0.00315997/step, 1.96673 hours remaining, 239.125000 MB of memory in use. ENERGY: 2759400 4009.4654 20436.3603 14433.6702 234.6776 -202711.4666 1988.0304 0.0000 0.0000 52178.8468 -109430.4161 299.8725 -161609.2628 -109061.6651 299.2451 -332.8237 -306.0543 762809.6983 -3.4171 -3.5010 PRESSURE: 2759600 -109.42 -61.0679 -58.8303 -61.0675 220.379 103.152 -58.8302 103.151 54.5477 GPRESSURE: 2759600 -114.682 -127.557 -62.7657 40.5859 241.727 24.0359 28.4388 111.16 123.289 PRESSAVG: 2759600 -19.985 -49.1489 26.7791 -49.149 39.0438 -64.3804 26.7791 -64.3803 -29.4043 GPRESSAVG: 2759600 -19.6867 -50.1151 26.9455 -48.6253 37.0593 -67.5842 26.6776 -62.1285 -27.4659 TIMING: 2759600 CPU: 8722.88, 0.00316687/step Wall: 8722.88, 0.00316686/step, 1.97085 hours remaining, 239.125000 MB of memory in use. ENERGY: 2759600 4024.4930 20414.6925 14431.5575 233.7799 -203240.8507 2823.8434 0.0000 0.0000 51916.9444 -109395.5401 298.3674 -161312.4845 -109033.6939 298.8988 55.1689 83.4448 762651.6512 -3.4485 -3.3644 PRESSURE: 2759800 -319.498 89.1216 62.044 89.1219 -236.089 30.9758 62.0444 30.9767 -193.919 GPRESSURE: 2759800 -235.507 54.6429 22.9595 -32.3895 -247.808 111.292 -10.7653 0.481419 -173.766 PRESSAVG: 2759800 -13.4492 -23.4356 -0.309525 -23.4355 12.3113 -24.8583 -0.309509 -24.8582 -5.97804 GPRESSAVG: 2759800 -13.3747 -23.8993 -1.59498 -22.6655 12.2505 -22.7163 -2.21888 -25.2212 -5.94685 TIMING: 2759800 CPU: 8723.51, 0.00314908/step Wall: 8723.51, 0.00314908/step, 1.95961 hours remaining, 239.125000 MB of memory in use. ENERGY: 2759800 3965.5519 20493.4713 14429.2483 247.0861 -203178.4726 2500.7217 0.0000 0.0000 52144.0608 -109398.3324 299.6726 -161542.3933 -109039.7370 299.1283 -249.8351 -219.0268 762981.5902 -2.3720 -2.3570 PRESSURE: 2760000 321.165 -75.8011 -61.1231 -75.8014 186.491 -62.9957 -61.1242 -62.9963 243.926 GPRESSURE: 2760000 379.601 -33.4885 -132.32 -55.4904 213.018 19.3568 106.599 -71.315 244.747 PRESSAVG: 2760000 -9.53132 -23.8719 -12.06 -23.8719 -20.9229 21.5556 -12.06 21.5556 19.7057 GPRESSAVG: 2760000 -8.36684 -22.4825 -11.8923 -25.4534 -20.5579 22.3405 -9.34453 19.8135 17.9194 TIMING: 2760000 CPU: 8724.14, 0.0031634/step Wall: 8724.14, 0.0031634/step, 1.96834 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2760000 3994.9269 20508.0169 14449.2625 244.7042 -203129.0197 2718.5670 0.0000 0.0000 52023.5285 -109190.0138 298.9799 -161213.5422 -108844.9737 299.3446 250.5272 279.1221 761793.5104 -3.5829 -3.6684 PRESSURE: 2760200 100.106 132.34 -354.047 132.339 -84.6157 -189.237 -354.046 -189.239 44.1532 GPRESSURE: 2760200 87.6928 7.11844 -341.519 83.153 -40.659 -92.8289 -195.312 -113.546 112.091 PRESSAVG: 2760200 16.4224 -26.5965 -5.46408 -26.5966 -8.01227 7.61862 -5.46408 7.61861 14.2991 GPRESSAVG: 2760200 14.2592 -28.0827 -4.85367 -25.6605 -6.37958 7.60052 -7.06835 7.4845 14.4221 TIMING: 2760200 CPU: 8724.77, 0.00317514/step Wall: 8724.77, 0.00317514/step, 1.97547 hours remaining, 239.125000 MB of memory in use. ENERGY: 2760200 3964.0468 20449.5454 14479.3437 241.2530 -203050.9673 2728.4726 0.0000 0.0000 51941.8038 -109246.5019 298.5103 -161188.3057 -108889.2751 299.1200 19.8811 53.0417 761366.7424 7.5697 7.4339 LDB: ============= START OF LOAD BALANCING ============== 8737.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8737.17 LDB: =============== DONE WITH MIGRATION ================ 8737.18 LDB: ============= START OF LOAD BALANCING ============== 8737.49 LDB: Largest compute 7056 load 0.032182 is 16.4% of average load 0.196005 LDB: Average compute 0.004378 is 2.2% of average load 0.196005 LDB: TIME 8737.5 LOAD: AVG 0.196005 MAX 0.219672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.645 MB LDB: TIME 8737.5 LOAD: AVG 0.196005 MAX 0.219672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.719 MB LDB: TIME 8737.5 LOAD: AVG 0.196005 MAX 0.217459 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.719 MB LDB: ============== END OF LOAD BALANCING =============== 8737.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8737.5 PRESSURE: 2760400 -17.1872 -273.189 -48.3512 -273.189 -237.842 131.32 -48.351 131.32 -193.745 GPRESSURE: 2760400 97.3529 -246.549 -40.9549 -330.813 -212.37 72.3907 -68.0414 88.8208 -267.186 PRESSAVG: 2760400 -11.0342 0.716686 -10.6977 0.716704 -2.66283 -21.2373 -10.6976 -21.2374 35.9599 GPRESSAVG: 2760400 -10.158 2.42011 -9.78759 1.85481 -2.99962 -22.5762 -11.1017 -20.215 35.7589 TIMING: 2760400 CPU: 8725.42, 0.00323396/step Wall: 8725.42, 0.00323396/step, 2.01188 hours remaining, 238.921875 MB of memory in use. ENERGY: 2760400 4003.4171 20454.9733 14567.6815 252.5560 -202518.8882 2066.0036 0.0000 0.0000 52163.5603 -109010.6965 299.7847 -161174.2568 -108659.8266 300.0567 -149.5913 -127.4011 761163.7494 7.4209 7.5338 PRESSURE: 2760600 -619.255 -128.965 -93.1837 -128.964 2.35316 63.3756 -93.1836 63.3752 -371.825 GPRESSURE: 2760600 -478.384 -99.0313 -48.1757 -34.4135 -18.0649 16.7064 125.059 33.0508 -412.498 PRESSAVG: 2760600 -21.3723 -35.4696 -49.6551 -35.4697 -20.9799 -0.463221 -49.6552 -0.463195 16.0418 GPRESSAVG: 2760600 -20.9504 -36.3787 -50.7241 -36.6988 -21.2519 -0.494077 -48.416 -1.14569 16.567 TIMING: 2760600 CPU: 8726.05, 0.00315177/step Wall: 8726.05, 0.00315177/step, 1.96058 hours remaining, 238.988281 MB of memory in use. ENERGY: 2760600 3975.9444 20443.5119 14472.5287 251.8501 -202771.5154 2310.5207 0.0000 0.0000 52255.9345 -109061.2252 300.3156 -161317.1596 -108685.5579 299.8366 -329.5755 -302.9821 763242.2713 -8.7701 -8.5451 PRESSURE: 2760800 46.8787 -48.136 -299.938 -48.1352 8.22794 -126.482 -299.938 -126.482 337.764 GPRESSURE: 2760800 50.2012 -45.7115 -356.929 50.556 90.1286 -117.653 -217.276 -83.4284 357.359 PRESSAVG: 2760800 -33.4612 -66.2406 2.81385 -66.2406 16.931 -29.4893 2.8138 -29.4893 -26.7167 GPRESSAVG: 2760800 -32.664 -67.3422 3.88202 -66.1527 16.3276 -27.2803 1.61366 -31.0226 -26.6184 TIMING: 2760800 CPU: 8726.68, 0.00316856/step Wall: 8726.68, 0.00316856/step, 1.97084 hours remaining, 238.988281 MB of memory in use. ENERGY: 2760800 3909.1631 20469.5508 14467.4701 245.1860 -202734.0922 2317.9722 0.0000 0.0000 52320.4652 -109004.2849 300.6864 -161324.7501 -108626.7116 300.1567 130.9569 165.8963 761330.0594 -14.4156 -14.3182 PRESSURE: 2761000 104.784 68.2893 29.7522 68.2895 -189.593 135.526 29.7517 135.527 -187.627 GPRESSURE: 2761000 154.815 44.3478 -22.6706 24.9235 -140.608 71.866 39.892 162.429 -203.224 PRESSAVG: 2761000 18.3996 -47.6917 -3.79025 -47.6917 -12.8484 57.807 -3.79025 57.807 3.18089 GPRESSAVG: 2761000 18.3847 -45.8767 -4.20793 -46.6997 -12.5297 57.7869 -1.08058 56.7896 2.87853 TIMING: 2761000 CPU: 8727.32, 0.00316553/step Wall: 8727.32, 0.00316553/step, 1.96878 hours remaining, 238.988281 MB of memory in use. ENERGY: 2761000 4031.7508 20422.6231 14541.3933 239.7213 -202804.6388 2338.1057 0.0000 0.0000 52247.0608 -108983.9838 300.2646 -161231.0446 -108617.9787 300.0061 -90.8123 -63.0057 762373.6565 2.9107 2.9112 PRESSURE: 2761200 213.878 -145.05 29.5088 -145.05 -31.3813 62.9503 29.5093 62.95 -206.294 GPRESSURE: 2761200 162.653 -74.0021 82.1298 -54.7037 14.4272 -41.0536 56.6824 158.31 -119.112 PRESSAVG: 2761200 30.7186 -75.5804 -35.4247 -75.5805 -24.9649 39.7095 -35.4247 39.7095 17.745 GPRESSAVG: 2761200 30.7809 -75.5188 -34.8183 -77.1096 -25.7758 37.2382 -39.2842 41.853 18.5815 TIMING: 2761200 CPU: 8727.95, 0.00316397/step Wall: 8727.95, 0.00316397/step, 1.96764 hours remaining, 238.988281 MB of memory in use. ENERGY: 2761200 4053.2824 20395.4864 14478.6071 225.5517 -203059.5918 2549.3710 0.0000 0.0000 52475.5440 -108881.7492 301.5777 -161357.2932 -108520.6613 300.0539 -7.9323 19.3230 761125.1556 7.8329 7.8622 PRESSURE: 2761400 -387.482 -251.275 80.4226 -251.275 253.554 -321.84 80.4231 -321.841 -62.7791 GPRESSURE: 2761400 -302.005 -252.295 87.584 -228.377 252.937 -352.373 186.103 -215.218 -61.1716 PRESSAVG: 2761400 43.6439 -5.9914 6.95677 -5.9914 -29.9827 24.3056 6.95676 24.3055 10.7542 GPRESSAVG: 2761400 44.3293 -7.32674 5.66729 -4.21721 -29.3228 26.2633 10.4967 24.3846 9.86067 TIMING: 2761400 CPU: 8728.58, 0.00316562/step Wall: 8728.58, 0.00316562/step, 1.96849 hours remaining, 238.988281 MB of memory in use. ENERGY: 2761400 4003.2083 20386.7914 14461.8995 233.8197 -202573.7397 2500.5605 0.0000 0.0000 52049.1391 -108938.3212 299.1271 -160987.4603 -108572.2792 300.2518 -65.5693 -36.7466 761444.4908 8.1385 8.2890 PRESSURE: 2761600 -50.2378 -62.7632 66.5648 -62.764 -286.748 69.6901 66.5646 69.69 97.9061 GPRESSURE: 2761600 -109.213 -86.2035 95.3438 59.1785 -109.942 159.13 121.266 45.378 81.1638 PRESSAVG: 2761600 -23.1159 12.1097 29.3133 12.1097 -7.46189 6.37835 29.3133 6.37832 -19.7485 GPRESSAVG: 2761600 -25.024 12.4377 30.0997 12.7193 -6.82428 5.06215 26.2594 6.84862 -19.4339 TIMING: 2761600 CPU: 8729.21, 0.00315694/step Wall: 8729.21, 0.00315694/step, 1.96292 hours remaining, 238.988281 MB of memory in use. ENERGY: 2761600 4009.6467 20559.5829 14442.3203 248.8238 -202880.7117 2372.9292 0.0000 0.0000 52330.0089 -108917.3999 300.7413 -161247.4088 -108554.1075 300.0856 -79.6933 -45.9971 761857.9653 -16.7754 -17.0941 PRESSURE: 2761800 -42.9877 -19.5944 20.7125 -19.5942 -169.834 55.1059 20.7119 55.1056 -22.7428 GPRESSURE: 2761800 89.3405 -29.5036 16.5572 -97.459 -171.359 -24.0901 37.5982 90.3081 -57.7449 PRESSAVG: 2761800 34.8189 -3.26843 55.9611 -3.26843 -27.0475 76.9866 55.961 76.9867 1.07731 GPRESSAVG: 2761800 35.8157 -3.31254 55.6761 -3.81808 -27.8505 76.8815 56.5926 76.0703 0.442025 TIMING: 2761800 CPU: 8729.84, 0.00312729/step Wall: 8729.84, 0.00312729/step, 1.94431 hours remaining, 238.988281 MB of memory in use. ENERGY: 2761800 3984.8962 20632.5467 14465.8887 265.3899 -203331.0529 2807.3097 0.0000 0.0000 52339.7754 -108835.2464 300.7974 -161175.0218 -108470.1388 299.9185 -78.5217 -46.5879 762030.3112 2.9496 2.8024 PRESSURE: 2762000 19.6279 17.2348 68.6927 17.234 153.569 -178.153 68.6937 -178.152 87.2889 GPRESSURE: 2762000 95.9695 -62.8441 68.5195 -28.5404 182.639 -261.233 84.8011 -107.07 55.181 PRESSAVG: 2762000 -12.9138 -6.07633 -42.682 -6.07638 14.216 -44.9742 -42.682 -44.9742 3.03606 GPRESSAVG: 2762000 -12.2344 -5.69873 -41.6342 -6.93378 13.4619 -44.7531 -41.7917 -43.3724 2.89879 TIMING: 2762000 CPU: 8730.47, 0.00315269/step Wall: 8730.47, 0.00315269/step, 1.95992 hours remaining, 238.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2762000 3989.8880 20657.5652 14532.8304 257.8909 -202891.2613 2408.8004 0.0000 0.0000 52432.1189 -108612.1674 301.3281 -161044.2864 -108250.4609 300.7660 86.8286 111.2631 762610.6428 1.4461 1.3754 PRESSURE: 2762200 -38.3935 -111.966 110.709 -111.966 210.717 350.862 110.71 350.862 93.6809 GPRESSURE: 2762200 -28.75 -71.6608 22.5416 -92.5038 279.791 420.179 163.101 201.067 88.1999 PRESSAVG: 2762200 -8.78945 -16.9034 -39.011 -16.9034 -17.8943 -19.1029 -39.011 -19.103 -0.581448 GPRESSAVG: 2762200 -9.7715 -18.4123 -39.8948 -15.4352 -17.1596 -19.6307 -38.5169 -21.1092 -0.363711 TIMING: 2762200 CPU: 8731.1, 0.00316677/step Wall: 8731.1, 0.00316677/step, 1.9685 hours remaining, 238.988281 MB of memory in use. ENERGY: 2762200 4000.9916 20584.8343 14586.6042 266.8026 -202948.8751 2610.9355 0.0000 0.0000 52141.9506 -108756.7563 299.6605 -160898.7068 -108401.0245 301.1030 88.6682 113.0802 762073.3632 -9.0884 -9.0983 PRESSURE: 2762400 155.069 30.413 207.19 30.4131 -110.989 -17.8382 207.189 -17.839 -99.9541 GPRESSURE: 2762400 226.544 31.0907 179.178 9.51778 -58.0053 9.02864 38.7276 -97.2648 -131.137 PRESSAVG: 2762400 -31.1443 -45.7747 9.31361 -45.7747 46.5203 -37.6885 9.31352 -37.6885 12.6299 GPRESSAVG: 2762400 -30.6009 -44.7409 9.10003 -45.6997 46.3156 -36.0045 8.41976 -36.8977 12.5032 TIMING: 2762400 CPU: 8731.74, 0.00317926/step Wall: 8731.74, 0.00317926/step, 1.97609 hours remaining, 238.988281 MB of memory in use. ENERGY: 2762400 3969.3211 20700.2253 14569.3059 244.2041 -202628.1123 2214.2011 0.0000 0.0000 51973.1084 -108957.7463 298.6902 -160930.8548 -108597.2407 300.1301 -18.6246 12.4672 761398.7101 9.3353 9.4060 PRESSURE: 2762600 -29.5444 -21.4044 -68.6784 -21.4034 206.835 167.084 -68.6779 167.083 -192.1 GPRESSURE: 2762600 -7.52382 -57.6782 -47.6237 -26.612 135.182 119.058 -91.9349 159.727 -47.4455 PRESSAVG: 2762600 36.4115 -25.5178 19.2392 -25.5178 -15.868 24.4853 19.2392 24.4853 5.84343 GPRESSAVG: 2762600 35.6131 -25.4887 18.8586 -28.1491 -15.6147 25.1819 19.2295 24.433 6.38258 TIMING: 2762600 CPU: 8732.37, 0.00315085/step Wall: 8732.37, 0.00315085/step, 1.95825 hours remaining, 238.988281 MB of memory in use. ENERGY: 2762600 3940.1079 20557.6039 14631.4236 267.2970 -203065.5217 2436.4596 0.0000 0.0000 52101.8329 -109130.7969 299.4299 -161232.6297 -108777.1968 299.6662 -4.9365 26.7377 760001.1937 8.7957 8.7937 PRESSURE: 2762800 -212.571 72.4222 -198.856 72.4215 -94.2003 21.5106 -198.856 21.5103 -124.308 GPRESSURE: 2762800 -69.0875 15.537 -132.087 -0.27687 -131.485 -73.8855 -205.872 -103.024 -123.016 PRESSAVG: 2762800 18.0225 -56.0911 0.236199 -56.0911 31.1161 26.5199 0.236161 26.52 13.332 GPRESSAVG: 2762800 18.7387 -55.8157 -0.358704 -55.0082 30.6207 26.536 0.416966 25.9379 12.7579 TIMING: 2762800 CPU: 8733, 0.00315361/step Wall: 8733, 0.00315361/step, 1.95979 hours remaining, 238.988281 MB of memory in use. ENERGY: 2762800 3951.8736 20566.7069 14463.4213 249.3643 -202927.3832 2389.4213 0.0000 0.0000 51925.2681 -109381.3278 298.4152 -161306.5958 -109010.1608 299.4504 -143.6931 -107.8629 762630.3673 20.8235 20.7058 PRESSURE: 2763000 -83.4034 242.865 -44.7753 242.865 228.765 -87.3799 -44.7756 -87.3793 42.1807 GPRESSURE: 2763000 -76.9702 164.653 -68.1728 169.791 321.171 -16.3347 21.8431 -91.5109 7.21042 PRESSAVG: 2763000 19.5435 19.6826 -46.3178 19.6827 14.0282 9.45422 -46.3178 9.45419 -17.0536 GPRESSAVG: 2763000 18.5948 18.8862 -44.9297 19.1968 13.0277 9.12778 -47.5349 8.89275 -16.1162 TIMING: 2763000 CPU: 8733.63, 0.00315387/step Wall: 8733.63, 0.00315387/step, 1.95978 hours remaining, 238.988281 MB of memory in use. ENERGY: 2763000 4003.1993 20472.0892 14496.7250 243.3067 -203034.3879 2383.5911 0.0000 0.0000 51983.7891 -109451.6875 298.7516 -161435.4766 -109090.7402 299.0192 62.5140 83.8036 761639.6406 5.5060 5.1688 PRESSURE: 2763200 559.177 -232.973 37.4667 -232.973 20.2551 -22.0269 37.4665 -22.0267 171.852 GPRESSURE: 2763200 543.201 -227.312 -4.87832 -239.809 83.3523 -26.1501 -62.9722 16.8958 206.427 PRESSAVG: 2763200 26.9713 -28.2959 -18.2975 -28.2958 -46.8125 -0.732874 -18.2975 -0.732885 -4.44624 GPRESSAVG: 2763200 26.8869 -25.746 -18.3784 -28.019 -45.5691 -1.18453 -17.0451 1.29886 -5.76686 TIMING: 2763200 CPU: 8734.26, 0.00313322/step Wall: 8734.26, 0.00313322/step, 1.94677 hours remaining, 238.988281 MB of memory in use. ENERGY: 2763200 3979.9936 20495.7266 14494.2288 244.7314 -203667.6294 2753.1159 0.0000 0.0000 52002.8887 -109696.9444 298.8613 -161699.8331 -109332.7355 298.9626 250.4280 277.6600 760761.0369 -8.0958 -8.1497 PRESSURE: 2763400 152.63 42.4987 25.7473 42.4987 -21.1108 41.4258 25.7465 41.4264 234.583 GPRESSURE: 2763400 219.076 35.0836 -3.6941 22.0383 47.3505 85.8007 21.5896 42.4248 203.266 PRESSAVG: 2763400 37.4939 10.4981 -18.1196 10.4981 -0.331098 16.3177 -18.1196 16.3177 2.35154 GPRESSAVG: 2763400 37.5017 7.7634 -17.4245 10.4643 -0.874748 17.4754 -20.3258 15.4748 2.69822 TIMING: 2763400 CPU: 8734.89, 0.00313701/step Wall: 8734.89, 0.00313701/step, 1.94895 hours remaining, 238.988281 MB of memory in use. ENERGY: 2763400 3939.6541 20636.1765 14468.3237 242.9136 -203097.7415 2352.6743 0.0000 0.0000 51857.9956 -109600.0035 298.0286 -161457.9991 -109244.0646 298.9636 122.0339 156.5641 760529.2799 13.1714 13.1084 PRESSURE: 2763600 31.3806 -57.7101 -80.8394 -57.7099 -193.156 13.4115 -80.84 13.4102 132.737 GPRESSURE: 2763600 95.8766 -32.6802 -128.971 34.6189 -138.167 -71.7437 -75.8781 102.071 121.351 PRESSAVG: 2763600 28.1223 -25.2142 -68.6732 -25.2142 -11.8279 28.1204 -68.6732 28.1203 7.68593 GPRESSAVG: 2763600 28.2416 -24.9974 -69.3053 -25.3054 -9.53838 26.0137 -67.3168 26.5954 5.05508 TIMING: 2763600 CPU: 8735.52, 0.00316244/step Wall: 8735.52, 0.00316244/step, 1.96458 hours remaining, 238.988281 MB of memory in use. ENERGY: 2763600 3973.8562 20483.3562 14455.2627 244.4034 -203581.1276 2803.4869 0.0000 0.0000 52055.2835 -109565.4788 299.1624 -161620.7622 -109206.8471 299.2332 -9.6794 26.3535 761462.6742 7.9935 7.9194 PRESSURE: 2763800 -750.053 -80.3118 -71.4116 -80.3109 -245.286 39.4585 -71.4118 39.4597 142.227 GPRESSURE: 2763800 -623.605 -106.087 -56.768 -103.374 -342.662 22.5729 -124.684 188.367 183.99 PRESSAVG: 2763800 9.52705 -5.91499 -22.5635 -5.91498 0.365997 41.0228 -22.5635 41.0228 -5.88522 GPRESSAVG: 2763800 10.044 -3.34363 -23.5642 -7.37288 -3.07074 41.2886 -23.0708 40.4353 -3.47863 TIMING: 2763800 CPU: 8736.15, 0.00315089/step Wall: 8736.15, 0.00315089/step, 1.95723 hours remaining, 238.988281 MB of memory in use. ENERGY: 2763800 3965.8342 20500.7859 14521.7050 235.1718 -203402.0922 2595.6302 0.0000 0.0000 51922.9661 -109659.9990 298.4020 -161582.9651 -109305.0750 299.0502 -284.3706 -260.7588 761179.3446 1.3359 1.1649 PRESSURE: 2764000 -240.235 47.8653 -111.734 47.8654 -366.867 107.16 -111.733 107.16 68.5747 GPRESSURE: 2764000 -229.255 34.3203 -236.362 106.9 -248.958 47.2751 -2.32192 112.029 37.6159 PRESSAVG: 2764000 -17.2916 -25.9515 31.8919 -25.9515 -6.37392 38.0557 31.8919 38.0557 2.79239 GPRESSAVG: 2764000 -18.3917 -27.0534 32.6466 -25.5144 -4.26461 37.2509 32.4039 38.3904 2.03051 TIMING: 2764000 CPU: 8736.78, 0.0031519/step Wall: 8736.78, 0.0031519/step, 1.95768 hours remaining, 238.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2764000 3999.9273 20421.1553 14455.6162 240.1554 -203304.9951 2421.3745 0.0000 0.0000 51939.0972 -109827.6692 298.4947 -161766.7664 -109470.6419 298.6339 -179.5092 -146.8655 762299.4893 -6.9577 -6.8753 PRESSURE: 2764200 -226.037 -90.5538 54.8727 -90.554 -596.811 72.9475 54.8726 72.9472 103.162 GPRESSURE: 2764200 -216.364 -88.6152 99.9587 -43.571 -474.961 82.7157 18.1439 34.9617 45.1552 PRESSAVG: 2764200 29.8958 10.2747 -25.3858 10.2747 -31.6118 37.2023 -25.3859 37.2023 -10.8211 GPRESSAVG: 2764200 30.9354 8.26846 -26.3408 12.7639 -32.803 39.2245 -23.6784 38.9553 -9.92377 TIMING: 2764200 CPU: 8737.41, 0.00314682/step Wall: 8737.41, 0.00314682/step, 1.95435 hours remaining, 238.988281 MB of memory in use. ENERGY: 2764200 3994.7313 20533.6867 14516.9595 238.9233 -203479.4975 2508.2389 0.0000 0.0000 51832.6697 -109854.2881 297.8831 -161686.9579 -109491.7188 297.6867 -239.8953 -215.3898 761971.4469 -4.1790 -3.9305 LDB: ============= START OF LOAD BALANCING ============== 8749.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8749.81 LDB: =============== DONE WITH MIGRATION ================ 8749.81 LDB: ============= START OF LOAD BALANCING ============== 8750.12 LDB: Largest compute 7058 load 0.034010 is 17.4% of average load 0.195936 LDB: Average compute 0.004401 is 2.2% of average load 0.195936 LDB: TIME 8750.13 LOAD: AVG 0.195936 MAX 0.215888 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 8750.13 LOAD: AVG 0.195936 MAX 0.215888 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 8750.13 LOAD: AVG 0.195936 MAX 0.215888 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 8750.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8750.14 PRESSURE: 2764400 62.4736 66.1925 223.754 66.1921 -268.383 -188.793 223.754 -188.792 367.344 GPRESSURE: 2764400 97.3607 32.5505 222.752 42.6368 -174.34 -123.098 175.265 -178.578 340.999 PRESSAVG: 2764400 24.6584 -23.786 18.1243 -23.786 -46.7001 32.2319 18.1243 32.2319 0.630792 GPRESSAVG: 2764400 23.8695 -23.1627 18.3946 -24.3015 -46.029 31.5014 15.706 31.5354 0.317512 TIMING: 2764400 CPU: 8738.05, 0.00322321/step Wall: 8738.05, 0.00322321/step, 2.00162 hours remaining, 239.386719 MB of memory in use. ENERGY: 2764400 4038.9433 20325.6614 14453.0039 277.4305 -203692.6277 2592.3006 0.0000 0.0000 52132.8235 -109872.4645 299.6081 -162005.2880 -109524.2732 298.3416 53.8117 88.0068 760951.8866 -7.1370 -7.2807 PRESSURE: 2764600 210.953 -27.012 153.023 -27.0117 -95.2281 -62.2777 153.023 -62.2783 -216.895 GPRESSURE: 2764600 315.651 52.3371 115.513 55.4597 -65.8758 -78.0123 91.85 -57.0884 -250.397 PRESSAVG: 2764600 12.2784 -49.8966 44.6835 -49.8966 4.7169 2.419 44.6835 2.41887 11.8903 GPRESSAVG: 2764600 13.7655 -47.9063 44.8861 -49.9953 3.90237 2.20361 47.0585 3.05862 11.5287 TIMING: 2764600 CPU: 8738.68, 0.00315079/step Wall: 8738.68, 0.00315079/step, 1.95647 hours remaining, 239.453125 MB of memory in use. ENERGY: 2764600 3947.5527 20488.3801 14409.0225 234.7347 -203254.1123 2625.6168 0.0000 0.0000 51869.7087 -109679.0967 298.0959 -161548.8055 -109323.1749 298.8229 -33.7234 -0.2074 761063.9708 9.6285 9.7322 PRESSURE: 2764800 86.6741 8.21447 -152.235 8.21421 239.185 150.771 -152.235 150.77 -34.7535 GPRESSURE: 2764800 54.3467 -26.6306 -121.437 -61.1976 285.782 184.168 4.64214 213.065 22.1848 PRESSAVG: 2764800 51.5655 -26.5491 -26.9806 -26.5492 -75.1786 33.4512 -26.9806 33.4512 2.51021 GPRESSAVG: 2764800 48.7282 -27.0725 -26.943 -28.4462 -73.6512 35.5134 -29.6308 31.77 3.17172 TIMING: 2764800 CPU: 8739.32, 0.0031659/step Wall: 8739.32, 0.0031659/step, 1.96567 hours remaining, 239.453125 MB of memory in use. ENERGY: 2764800 3976.0136 20552.0808 14375.7241 268.2531 -203169.0559 2282.8923 0.0000 0.0000 52120.0172 -109594.0748 299.5345 -161714.0920 -109232.3546 298.8507 97.0351 120.7713 761191.3037 -7.0343 -7.2504 PRESSURE: 2765000 -188.599 -156.655 37.2451 -156.655 -389.298 -91.2482 37.2452 -91.2471 -534.097 GPRESSURE: 2765000 -174.917 -15.486 12.7303 -126.598 -358.344 -150.129 113.577 -62.7795 -494.073 PRESSAVG: 2765000 41.9965 -47.2027 -22.6768 -47.2026 -64.2077 -0.212476 -22.6767 -0.212472 16.3567 GPRESSAVG: 2765000 44.3137 -46.8337 -22.907 -46.3279 -65.6873 -2.13149 -20.3066 1.7323 14.9182 TIMING: 2765000 CPU: 8739.95, 0.00316353/step Wall: 8739.95, 0.00316353/step, 1.96402 hours remaining, 239.453125 MB of memory in use. ENERGY: 2765000 3985.6953 20416.3777 14495.7799 259.1378 -203356.1341 2452.4945 0.0000 0.0000 51940.4403 -109806.2084 298.5024 -161746.6488 -109447.2300 298.6399 -370.6645 -342.4447 762999.3586 -1.9515 -2.1518 PRESSURE: 2765200 -435.22 -356.646 -70.4809 -356.645 -431.536 86.9927 -70.4799 86.9921 -196.424 GPRESSURE: 2765200 -323.019 -328.901 -31.1108 -334.008 -423.078 41.6222 26.6849 39.6909 -236.466 PRESSAVG: 2765200 40.7246 -65.7773 23.6174 -65.7773 0.54467 17.6125 23.6173 17.6125 -5.14402 GPRESSAVG: 2765200 40.5259 -65.0624 24.2563 -65.4376 -0.849775 17.1292 22.2991 16.5047 -3.37806 TIMING: 2765200 CPU: 8740.58, 0.00314973/step Wall: 8740.58, 0.00314973/step, 1.95528 hours remaining, 239.453125 MB of memory in use. ENERGY: 2765200 3936.6969 20511.5458 14427.5525 249.7481 -203212.5231 2455.6104 0.0000 0.0000 52168.1229 -109463.2465 299.8109 -161631.3694 -109096.7311 298.9914 -354.3931 -327.5212 764332.6950 12.0417 12.0994 PRESSURE: 2765400 236.238 -141.124 190.171 -141.124 170.006 -151.27 190.172 -151.271 352.519 GPRESSURE: 2765400 201.257 -167.999 141.596 -136.812 222.882 -189.879 267.204 -79.6028 394.9 PRESSAVG: 2765400 -10.4326 -77.9597 22.6062 -77.9598 -4.99377 5.55678 22.6063 5.55684 -6.69193 GPRESSAVG: 2765400 -11.3477 -79.9272 22.8831 -76.1979 -2.42058 5.53853 23.4281 7.2261 -8.39084 TIMING: 2765400 CPU: 8741.21, 0.00315119/step Wall: 8741.21, 0.00315119/step, 1.95601 hours remaining, 239.453125 MB of memory in use. ENERGY: 2765400 3928.6008 20493.1937 14507.8344 249.1811 -203908.0107 2929.7175 0.0000 0.0000 52288.9021 -109510.5812 300.5050 -161799.4832 -109153.7083 299.3835 252.9210 273.0128 760080.6370 -7.3728 -7.3864 PRESSURE: 2765600 279.105 89.6564 -21.7412 89.6577 -53.4932 -248.091 -21.7411 -248.092 68.6348 GPRESSURE: 2765600 379.411 16.9917 51.7627 74.9014 -60.3576 -172.273 -70.1319 -242.142 65.2911 PRESSAVG: 2765600 68.4961 -62.3677 39.9647 -62.3676 -18.6536 5.35002 39.9647 5.34997 9.845 GPRESSAVG: 2765600 69.5837 -61.0428 38.7713 -65.0511 -19.6405 6.99501 38.3627 4.73703 10.1894 TIMING: 2765600 CPU: 8741.84, 0.00314684/step Wall: 8741.84, 0.00314683/step, 1.95314 hours remaining, 239.453125 MB of memory in use. ENERGY: 2765600 4019.2821 20381.1159 14487.3670 252.0001 -203163.8469 2308.3971 0.0000 0.0000 51978.7927 -109736.8920 298.7228 -161715.6847 -109364.6242 298.9307 98.0822 128.1147 760633.9841 19.8959 20.0442 PRESSURE: 2765800 -11.4554 -42.0077 56.3569 -42.0077 -317.881 64.0588 56.358 64.0594 -197.323 GPRESSURE: 2765800 -61.5997 -26.3851 42.5377 -12.809 -176.131 74.4151 -19.992 128.498 -220.773 PRESSAVG: 2765800 74.9787 -52.0317 36.037 -52.0316 -42.0301 37.8639 36.0371 37.8638 -23.0514 GPRESSAVG: 2765800 73.9234 -53.2484 37.0918 -51.4461 -41.8009 38.5764 34.8603 36.2632 -22.4617 TIMING: 2765800 CPU: 8742.47, 0.00313503/step Wall: 8742.47, 0.00313503/step, 1.94564 hours remaining, 239.453125 MB of memory in use. ENERGY: 2765800 3985.9985 20480.8056 14430.2731 246.3322 -203135.7045 2293.0888 0.0000 0.0000 51920.2002 -109779.0061 298.3861 -161699.2063 -109420.0378 299.1590 -175.5529 -152.8344 759839.9416 3.2990 3.2202 PRESSURE: 2766000 -150.396 58.6034 206.711 58.6032 -396.714 155.174 206.713 155.175 -223.786 GPRESSURE: 2766000 -91.416 26.1067 178.456 25.0502 -314.398 216.696 205.144 143.853 -267.208 PRESSAVG: 2766000 59.8506 -23.5999 7.89428 -23.5998 -52.207 14.7322 7.89431 14.7322 7.47372 GPRESSAVG: 2766000 61.1456 -21.63 7.72603 -25.7868 -52.5637 14.6052 10.0814 16.5551 6.34026 TIMING: 2766000 CPU: 8743.1, 0.00315536/step Wall: 8743.1, 0.00315536/step, 1.95808 hours remaining, 239.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2766000 3959.5847 20489.4182 14420.5574 241.1020 -202975.0629 2195.8049 0.0000 0.0000 52078.2959 -109590.2998 299.2947 -161668.5957 -109219.4283 299.1191 -256.9652 -224.3406 761603.7683 5.0391 4.9741 PRESSURE: 2766200 -315.183 -27.2629 192.865 -27.2622 -67.0361 211.339 192.865 211.339 264.539 GPRESSURE: 2766200 -213.861 -5.66208 148.767 87.0818 -86.6336 205.94 99.6698 75.787 260.207 PRESSAVG: 2766200 11.0975 -14.0245 75.3612 -14.0245 11.4075 40.6202 75.3612 40.6203 8.04495 GPRESSAVG: 2766200 10.1202 -15.9339 75.8248 -12.1248 12.4474 39.1676 73.0907 38.3459 7.8122 TIMING: 2766200 CPU: 8743.73, 0.00314553/step Wall: 8743.73, 0.00314553/step, 1.9518 hours remaining, 239.453125 MB of memory in use. ENERGY: 2766200 3932.9180 20433.5736 14487.6733 250.4136 -202963.1304 2341.1347 0.0000 0.0000 52120.2420 -109397.1752 299.5357 -161517.4172 -109041.1541 299.0084 -39.2266 -13.4293 760655.4097 10.1833 10.1266 PRESSURE: 2766400 151.271 -182.82 86.68 -182.82 -294.118 -29.7828 86.6797 -29.783 -224.052 GPRESSURE: 2766400 103.373 -207.97 131.867 -84.5325 -219.383 -55.4181 16.2581 -78.1737 -195.28 PRESSAVG: 2766400 -35.108 -28.6101 38.3083 -28.6101 1.76968 2.76342 38.3083 2.76332 15.8772 GPRESSAVG: 2766400 -35.7344 -27.3989 38.1327 -28.8185 0.209262 3.80464 39.5915 3.56176 18.0679 TIMING: 2766400 CPU: 8744.36, 0.00315907/step Wall: 8744.36, 0.00315907/step, 1.96003 hours remaining, 239.453125 MB of memory in use. ENERGY: 2766400 4013.5013 20582.9990 14513.0234 249.2897 -203118.1048 2303.0504 0.0000 0.0000 51943.8526 -109512.3885 298.5220 -161456.2411 -109153.5804 299.7335 -122.2994 -103.7634 759920.1657 -5.8204 -5.8190 PRESSURE: 2766600 -199.06 -54.7336 214.648 -54.7327 84.2368 76.5588 214.648 76.5594 44.8803 GPRESSURE: 2766600 -76.5817 -19.7924 154.809 -144.586 110.297 35.8088 179.513 41.4978 -12.0005 PRESSAVG: 2766600 10.4549 -50.2724 -38.1878 -50.2724 50.4364 23.7247 -38.1879 23.7247 -20.6294 GPRESSAVG: 2766600 11.2553 -50.8607 -40.415 -48.9631 51.2498 23.2083 -37.4941 23.4482 -22.1917 TIMING: 2766600 CPU: 8744.99, 0.00315293/step Wall: 8744.99, 0.00315293/step, 1.95604 hours remaining, 239.453125 MB of memory in use. ENERGY: 2766600 4015.0568 20486.4327 14462.6152 256.9796 -203377.1396 2529.9017 0.0000 0.0000 52217.1518 -109409.0017 300.0927 -161626.1535 -109053.1962 299.9838 -23.3143 7.2384 759113.3253 13.4206 13.4378 PRESSURE: 2766800 -46.9482 -39.9878 -35.876 -39.9877 -130.527 15.5338 -35.8769 15.5335 81.7261 GPRESSURE: 2766800 -88.3262 33.7653 16.5447 -104.926 -26.9522 -58.1535 -106.367 97.6824 105.386 PRESSAVG: 2766800 -6.25376 -9.66175 51.0143 -9.6617 30.6902 13.0321 51.0143 13.0321 -1.84596 GPRESSAVG: 2766800 -5.92572 -10.1029 52.5845 -11.5474 30.1226 13.7766 50.8451 13.644 -1.7177 TIMING: 2766800 CPU: 8745.62, 0.0031503/step Wall: 8745.62, 0.0031503/step, 1.95424 hours remaining, 239.453125 MB of memory in use. ENERGY: 2766800 4009.1586 20385.9184 14438.5586 256.3717 -203351.8583 2560.5971 0.0000 0.0000 52279.4059 -109421.8480 300.4505 -161701.2539 -109062.7210 300.4621 -31.9164 -3.2973 758453.0986 7.5302 7.4931 PRESSURE: 2767000 7.61225 14.6008 60.1817 14.6004 72.8626 2.66397 60.1803 2.66423 -361.109 GPRESSURE: 2767000 91.2576 -41.9974 58.9076 106.907 20.7787 33.7632 203.111 36.6553 -294.676 PRESSAVG: 2767000 14.0068 -64.8507 4.40965 -64.8508 18.6534 39.497 4.40969 39.4971 0.66199 GPRESSAVG: 2767000 14.3694 -64.0476 3.44388 -63.4252 19.0853 38.6051 4.50163 40.4031 -0.168369 TIMING: 2767000 CPU: 8746.25, 0.00314214/step Wall: 8746.25, 0.00314214/step, 1.949 hours remaining, 239.453125 MB of memory in use. ENERGY: 2767000 3960.0619 20291.0148 14455.8601 232.7262 -203091.6186 2402.2958 0.0000 0.0000 52140.2894 -109609.3705 299.6510 -161749.6598 -109245.1084 299.6048 -93.5448 -60.8798 760747.1122 11.1074 11.0954 PRESSURE: 2767200 172.617 -191.939 108.45 -191.939 -233.548 -131.995 108.45 -131.996 -9.88415 GPRESSURE: 2767200 210.029 -186.399 91.254 -154.6 -162.609 -191.577 70.1957 -43.4277 -30.8598 PRESSAVG: 2767200 63.2892 -87.5329 32.3258 -87.5329 -22.3204 30.7931 32.3257 30.7931 30.2985 GPRESSAVG: 2767200 62.7508 -85.6418 32.4475 -89.2348 -21.9707 29.6968 31.6018 29.6017 30.8915 TIMING: 2767200 CPU: 8746.88, 0.00314766/step Wall: 8746.88, 0.00314766/step, 1.95225 hours remaining, 239.453125 MB of memory in use. ENERGY: 2767200 3975.6888 20422.9988 14517.8257 239.8907 -203223.4536 2376.7413 0.0000 0.0000 52036.6630 -109653.6452 299.0554 -161690.3082 -109292.1492 298.7960 -23.6052 5.5200 759599.9224 23.7558 23.8905 PRESSURE: 2767400 -226.331 -8.74365 257.221 -8.74393 -111.262 52.4575 257.222 52.4575 -182.381 GPRESSURE: 2767400 -160.334 -23.2272 290.344 23.7125 -130.432 1.18064 121.527 36.0132 -146.932 PRESSAVG: 2767400 12.8656 -42.5463 15.1976 -42.5463 -15.5875 -22.4404 15.1976 -22.4403 -14.0138 GPRESSAVG: 2767400 13.5301 -42.8218 14.9259 -41.2013 -16.0392 -20.737 13.5006 -21.1251 -13.9039 TIMING: 2767400 CPU: 8747.51, 0.00314536/step Wall: 8747.51, 0.00314536/step, 1.95065 hours remaining, 239.453125 MB of memory in use. ENERGY: 2767400 3951.2294 20268.4808 14510.5366 244.6641 -203201.0650 2318.8749 0.0000 0.0000 52183.9831 -109723.2961 299.9021 -161907.2792 -109357.5008 298.4337 -173.3249 -145.8995 759383.8874 -5.5785 -5.4710 PRESSURE: 2767600 -35.6194 118.946 128.435 118.946 -146.887 -219.153 128.434 -219.153 -12.8716 GPRESSURE: 2767600 83.0696 116.296 89.3026 118.654 -161.865 -193.144 33.5784 -260.029 -49.4478 PRESSAVG: 2767600 -30.1935 -59.8518 -14.8144 -59.8517 -3.13711 -14.1968 -14.8143 -14.1968 7.66916 GPRESSAVG: 2767600 -31.0311 -60.4647 -13.5641 -58.0158 -3.36571 -14.409 -15.7343 -15.4479 8.67649 TIMING: 2767600 CPU: 8748.13, 0.00313728/step Wall: 8748.13, 0.00313728/step, 1.94546 hours remaining, 239.453125 MB of memory in use. ENERGY: 2767600 4015.8782 20477.3820 14396.3931 257.1967 -203248.6447 2468.7846 0.0000 0.0000 52182.1756 -109450.8344 299.8917 -161633.0100 -109079.4343 298.8470 -65.1259 -42.7477 762214.8390 -8.5538 -8.5734 PRESSURE: 2767800 -79.6809 -261.651 65.4887 -261.65 76.9062 -32.2771 65.4888 -32.2768 260.841 GPRESSURE: 2767800 -10.7595 -244.953 106.78 -235.955 123.9 -22.8116 117.109 97.6875 207.673 PRESSAVG: 2767800 11.1408 -46.0588 -27.5137 -46.0587 7.25094 -27.9574 -27.5137 -27.9574 -1.08038 GPRESSAVG: 2767800 11.2643 -47.3719 -27.8485 -47.7512 7.88481 -28.1702 -26.1393 -27.3672 -1.88993 TIMING: 2767800 CPU: 8748.76, 0.00314723/step Wall: 8748.76, 0.00314723/step, 1.95146 hours remaining, 239.453125 MB of memory in use. ENERGY: 2767800 3957.6464 20529.5631 14421.6428 249.4547 -203364.4908 2670.8484 0.0000 0.0000 52152.6061 -109382.7293 299.7217 -161535.3354 -109021.4768 299.2845 86.0219 106.9379 762414.5752 5.7705 5.7531 PRESSURE: 2768000 -129.055 -112.658 106.742 -112.658 364 -70.5722 106.741 -70.5718 -343.515 GPRESSURE: 2768000 34.0825 -169.174 -4.45435 -146.732 299.928 -142.653 69.2798 -124.312 -356.524 PRESSAVG: 2768000 9.66023 -34.6801 -38.3857 -34.68 4.12524 19.0286 -38.3858 19.0286 12.8797 GPRESSAVG: 2768000 10.9253 -34.5352 -39.9227 -34.9859 3.48841 16.9848 -37.1701 18.225 11.4463 TIMING: 2768000 CPU: 8749.39, 0.00314559/step Wall: 8749.39, 0.00314559/step, 1.95027 hours remaining, 239.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2768000 3982.3725 20534.6874 14493.6451 232.6475 -203288.2564 2646.0759 0.0000 0.0000 51851.2479 -109547.5800 297.9898 -161398.8279 -109181.3875 299.2649 -36.1904 -7.5047 763143.3784 8.8884 8.6200 PRESSURE: 2768200 -265.684 -104.198 -162.502 -104.198 -99.1074 -70.7416 -162.502 -70.7428 -78.9205 GPRESSURE: 2768200 -228.266 -16.0933 -183.631 13.3306 -118.67 -114.499 -142.051 -111.109 1.72709 PRESSAVG: 2768200 44.4053 -37.8194 4.88537 -37.8193 -24.0174 9.19347 4.88538 9.19356 -14.2225 GPRESSAVG: 2768200 43.5855 -34.6995 5.38621 -39.4509 -22.6321 8.43737 3.20605 12.1388 -14.7429 TIMING: 2768200 CPU: 8750.02, 0.00315323/step Wall: 8750.02, 0.00315322/step, 1.95482 hours remaining, 239.453125 MB of memory in use. ENERGY: 2768200 4065.9619 20461.6083 14510.6857 233.8549 -203450.8040 2525.0975 0.0000 0.0000 52245.5783 -109408.0173 300.2561 -161653.5956 -109041.0996 300.0332 -147.9040 -115.0697 761546.4183 2.0551 2.0702 LDB: ============= START OF LOAD BALANCING ============== 8762.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8762.42 LDB: =============== DONE WITH MIGRATION ================ 8762.42 LDB: ============= START OF LOAD BALANCING ============== 8762.74 LDB: Largest compute 7068 load 0.032800 is 16.7% of average load 0.196051 LDB: Average compute 0.004379 is 2.2% of average load 0.196051 LDB: TIME 8762.74 LOAD: AVG 0.196051 MAX 0.216037 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.16 MB LDB: TIME 8762.74 LOAD: AVG 0.196051 MAX 0.216037 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: TIME 8762.74 LOAD: AVG 0.196051 MAX 0.216037 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: ============== END OF LOAD BALANCING =============== 8762.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8762.75 PRESSURE: 2768400 -178.612 -77.1484 199.907 -77.1491 47.4648 -9.53212 199.907 -9.53319 -0.914491 GPRESSURE: 2768400 -225.322 -145.253 202.128 -131.465 78.8381 23.6858 89.8272 -106.749 105.547 PRESSAVG: 2768400 -10.859 -13.7928 -31.4746 -13.7927 38.0637 36.8684 -31.4746 36.8685 14.4794 GPRESSAVG: 2768400 -11.3712 -15.306 -30.7646 -11.8537 37.2299 39.1857 -31.1586 34.1066 16.1643 TIMING: 2768400 CPU: 8750.67, 0.00322334/step Wall: 8750.67, 0.00322334/step, 1.99811 hours remaining, 240.785156 MB of memory in use. ENERGY: 2768400 3955.1313 20515.6093 14453.2874 247.6578 -203773.8962 3033.2944 0.0000 0.0000 52137.7414 -109431.1747 299.6363 -161568.9161 -109065.5514 299.5582 -44.0205 -13.6456 761125.2485 13.8947 14.0077 PRESSURE: 2768600 -210.397 35.1643 182.826 35.1632 -97.9268 20.485 182.827 20.4844 65.8448 GPRESSURE: 2768600 -130.285 113.88 245.332 -89.51 -81.3581 24.9959 68.2395 31.6695 34.7354 PRESSAVG: 2768600 -28.5853 -35.5101 -41.5926 -35.5101 10.6292 -20.3222 -41.5926 -20.3223 -0.166463 GPRESSAVG: 2768600 -28.184 -34.5997 -41.8677 -37.9868 9.85047 -19.3721 -38.8859 -20.4911 -0.11021 TIMING: 2768600 CPU: 8751.29, 0.00314138/step Wall: 8751.29, 0.00314138/step, 1.94713 hours remaining, 240.785156 MB of memory in use. ENERGY: 2768600 4000.9924 20474.7379 14473.2623 277.9913 -203745.9227 2823.1793 0.0000 0.0000 52084.0495 -109611.7099 299.3277 -161695.7594 -109237.6568 299.1620 -80.8262 -58.9693 761429.5979 -6.0409 -6.1479 PRESSURE: 2768800 -33.3694 266.257 66.1574 266.256 64.6294 -37.0358 66.1567 -37.036 212.13 GPRESSURE: 2768800 46.8215 203.212 -39.847 240.414 142.254 -70.9371 214.401 -22.2125 156.741 PRESSAVG: 2768800 -29.9337 -35.0188 86.1212 -35.0188 6.61797 24.4087 86.1213 24.4087 6.67062 GPRESSAVG: 2768800 -30.0812 -36.3583 85.8161 -32.6526 7.22593 23.562 86.1571 25.8606 5.91785 TIMING: 2768800 CPU: 8751.92, 0.0031237/step Wall: 8751.92, 0.0031237/step, 1.936 hours remaining, 240.785156 MB of memory in use. ENERGY: 2768800 3921.3413 20648.0744 14421.9320 257.2014 -203356.2002 2554.9611 0.0000 0.0000 52046.1742 -109506.5157 299.1101 -161552.6899 -109141.8442 299.4006 81.1300 115.2721 761993.0007 -5.5484 -5.6458 PRESSURE: 2769000 -27.4251 -40.8691 234.783 -40.8692 -291.277 164.738 234.783 164.739 -142.527 GPRESSURE: 2769000 -12.2843 -33.2808 355.751 -22.3481 -258.394 160.48 111.414 91.9814 -86.0646 PRESSAVG: 2769000 -5.27965 67.3615 66.2371 67.3615 22.7559 59.9154 66.237 59.9155 8.3055 GPRESSAVG: 2769000 -5.4506 64.59 68.9785 68.4513 21.6752 59.241 63.8263 59.4749 9.76847 TIMING: 2769000 CPU: 8752.55, 0.00313952/step Wall: 8752.55, 0.00313952/step, 1.94563 hours remaining, 240.785156 MB of memory in use. ENERGY: 2769000 4045.2811 20409.6433 14452.6252 247.0450 -203447.2676 2490.7343 0.0000 0.0000 52230.5540 -109571.3847 300.1697 -161801.9387 -109205.8393 299.8067 -153.7433 -118.9144 760480.6984 8.5939 8.6644 PRESSURE: 2769200 -292.895 -212.49 117.107 -212.49 -233.978 282.387 117.108 282.388 12.6959 GPRESSURE: 2769200 -247.455 -132.245 51.4585 -190.524 -149.325 256.992 74.1636 348.027 -21.5021 PRESSAVG: 2769200 -5.35654 -11.6479 1.92943 -11.6479 21.8916 11.0885 1.92942 11.0886 -21.5546 GPRESSAVG: 2769200 -4.73304 -7.95207 0.0969934 -14.5799 21.6676 13.5178 2.90128 8.10382 -21.819 TIMING: 2769200 CPU: 8753.17, 0.0031372/step Wall: 8753.17, 0.0031372/step, 1.94402 hours remaining, 240.785156 MB of memory in use. ENERGY: 2769200 4051.9661 20670.1465 14468.8460 235.9990 -203314.8858 2324.9986 0.0000 0.0000 52010.3095 -109552.6201 298.9040 -161562.9296 -109180.3866 299.2519 -171.3926 -139.4274 760412.5407 -1.6732 -1.6281 PRESSURE: 2769400 -201.292 -177.063 -94.5259 -177.063 -48.465 250.704 -94.5259 250.704 257.841 GPRESSURE: 2769400 -82.566 -68.6471 -15.6807 -119.033 -111.301 204.093 -168.168 264.598 280.536 PRESSAVG: 2769400 0.988098 -21.549 33.7734 -21.5489 14.1148 33.0834 33.7734 33.0835 -12.3858 GPRESSAVG: 2769400 0.0373219 -23.6898 34.9362 -20.2475 15.9347 30.5247 31.5796 35.5702 -13.0498 TIMING: 2769400 CPU: 8753.8, 0.00313852/step Wall: 8753.8, 0.00313852/step, 1.94466 hours remaining, 240.785156 MB of memory in use. ENERGY: 2769400 3949.8343 20530.3640 14488.8307 225.5925 -203585.9533 2582.4752 0.0000 0.0000 52043.2914 -109765.5652 299.0935 -161808.8565 -109395.7551 299.1738 2.6946 28.8896 760608.6605 0.9057 0.9740 PRESSURE: 2769600 -114.222 -108.524 -144.379 -108.523 -235.568 66.6814 -144.379 66.6807 252.499 GPRESSURE: 2769600 -59.4164 -169.861 -30.0844 -207.394 -166.433 74.9118 -156.454 9.98278 210.689 PRESSAVG: 2769600 -27.3782 -35.6593 61.4872 -35.6593 13.2579 79.9183 61.4872 79.9183 51.4597 GPRESSAVG: 2769600 -26.4044 -34.4453 61.6556 -33.8043 12.0516 80.1607 63.5013 80.3172 51.3274 TIMING: 2769600 CPU: 8754.43, 0.00313625/step Wall: 8754.43, 0.00313625/step, 1.94308 hours remaining, 240.785156 MB of memory in use. ENERGY: 2769600 3995.2422 20482.3128 14440.0897 251.2726 -203774.7436 2798.8420 0.0000 0.0000 51930.0193 -109876.9649 298.4425 -161806.9842 -109500.3158 298.6333 -32.4304 -5.0534 760141.4269 12.4465 12.3249 PRESSURE: 2769800 -221.458 143.027 115.099 143.027 110.111 65.0215 115.099 65.0213 -50.4811 GPRESSURE: 2769800 -235.394 120.251 134.583 124.514 130.865 154.197 16.308 106.433 32.9327 PRESSAVG: 2769800 -11.2421 -34.0619 24.7106 -34.0619 23.3324 76.1916 24.7107 76.1917 -5.73068 GPRESSAVG: 2769800 -12.3234 -33.8265 23.0078 -37.6376 24.5122 75.2469 24.4194 77.4296 -5.27578 TIMING: 2769800 CPU: 8755.06, 0.00314264/step Wall: 8755.06, 0.00314264/step, 1.94687 hours remaining, 240.785156 MB of memory in use. ENERGY: 2769800 3979.4002 20386.8585 14483.9844 249.4916 -203897.5153 2848.5488 0.0000 0.0000 52111.2449 -109837.9870 299.4840 -161949.2319 -109462.1952 298.6324 -53.9429 -23.8654 760680.8708 2.1199 2.3043 PRESSURE: 2770000 170.88 81.4356 65.6469 81.4341 13.406 -32.0319 65.647 -32.0313 31.5726 GPRESSURE: 2770000 172.606 117.914 39.5909 -2.17194 149.747 -26.7021 147.364 139.99 -21.9747 PRESSAVG: 2770000 20.127 -22.9655 19.7991 -22.9656 -7.56054 39.0907 19.7991 39.0908 -18.7937 GPRESSAVG: 2770000 20.6947 -21.6746 20.8782 -21.5864 -8.51338 39.4088 19.7202 38.4803 -18.5326 TIMING: 2770000 CPU: 8755.69, 0.00314/step Wall: 8755.69, 0.00314/step, 1.94506 hours remaining, 240.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2770000 4018.4236 20448.0096 14456.4463 243.2311 -203400.8560 2705.4193 0.0000 0.0000 51860.4646 -109668.8613 298.0428 -161529.3259 -109302.1203 298.4297 71.9530 100.1259 761507.5639 -2.0758 -2.1171 PRESSURE: 2770200 -94.1149 -82.9747 -51.12 -82.9744 -308.612 47.6719 -51.1201 47.6722 -169.564 GPRESSURE: 2770200 -136.4 -95.0908 -59.3783 -73.503 -232.038 29.4466 -101.554 133.095 -124.143 PRESSAVG: 2770200 5.22962 -20.6323 25.9641 -20.6323 -19.5532 35.2368 25.9641 35.2369 5.2907 GPRESSAVG: 2770200 4.41078 -21.2505 24.6725 -21.5706 -18.6588 34.3996 26.9455 38.0061 4.74052 TIMING: 2770200 CPU: 8756.32, 0.00316528/step Wall: 8756.32, 0.00316528/step, 1.96054 hours remaining, 240.785156 MB of memory in use. ENERGY: 2770200 3968.3609 20498.8349 14465.7487 244.1870 -203345.3294 2488.8024 0.0000 0.0000 52020.0906 -109659.3050 298.9602 -161679.3955 -109297.9614 298.9281 -190.7639 -164.1940 762674.9920 -3.0110 -3.1692 PRESSURE: 2770400 -102.023 157.897 -237.05 157.897 -2.38512 -74.532 -237.05 -74.5332 33.2675 GPRESSURE: 2770400 -113.76 83.0107 -188.381 211.02 83.3174 -95.5078 -255.652 -93.2793 54.9462 PRESSAVG: 2770400 1.77107 -16.7806 11.8651 -16.7805 -20.4633 61.8977 11.8651 61.8977 13.5191 GPRESSAVG: 2770400 1.58465 -17.9763 12.6059 -13.6187 -21.2749 61.5102 10.2736 60.5053 14.3741 TIMING: 2770400 CPU: 8756.95, 0.00314698/step Wall: 8756.95, 0.00314698/step, 1.94903 hours remaining, 240.785156 MB of memory in use. ENERGY: 2770400 3953.8379 20618.4646 14457.4132 259.2875 -203539.0024 2813.2669 0.0000 0.0000 51782.2406 -109654.4919 297.5932 -161436.7325 -109310.1910 298.5258 -23.7135 8.1680 761307.6555 -1.7244 -1.7720 PRESSURE: 2770600 41.3189 48.7068 412.725 48.7076 139.034 -94.8825 412.726 -94.8823 248.001 GPRESSURE: 2770600 28.1637 37.8215 283.914 93.6389 228.43 -59.1738 433.79 -115.719 257.892 PRESSAVG: 2770600 -9.46298 10.656 3.52129 10.656 -2.52813 29.096 3.52127 29.096 -6.41083 GPRESSAVG: 2770600 -9.27691 11.6837 2.90364 9.46303 -1.14492 29.463 5.52504 26.9256 -8.17101 TIMING: 2770600 CPU: 8757.57, 0.00312054/step Wall: 8757.57, 0.00312054/step, 1.93248 hours remaining, 240.785156 MB of memory in use. ENERGY: 2770600 3954.7575 20438.5047 14456.3315 255.9223 -203929.1185 2899.0740 0.0000 0.0000 52240.7971 -109683.7315 300.2286 -161924.5286 -109318.7515 298.4951 142.7848 171.4950 760784.7875 -6.1340 -6.1976 PRESSURE: 2770800 -265.416 -51.6144 97.9174 -51.6149 76.5442 -205.201 97.9168 -205.201 -273.154 GPRESSURE: 2770800 -173.21 -96.2619 91.0567 46.9639 -43.5343 -200.935 18.2657 -224.377 -167.221 PRESSAVG: 2770800 20.0509 -34.9261 -31.1935 -34.926 4.50322 6.39368 -31.1935 6.39371 11.7644 GPRESSAVG: 2770800 21.2389 -36.9934 -30.6023 -35.2459 3.04204 8.87887 -33.1001 5.80398 11.8922 TIMING: 2770800 CPU: 8758.2, 0.00314068/step Wall: 8758.2, 0.00314068/step, 1.94478 hours remaining, 240.785156 MB of memory in use. ENERGY: 2770800 4014.0973 20516.6876 14405.2554 242.7898 -203382.5081 2638.5218 0.0000 0.0000 51984.7415 -109580.4147 298.7570 -161565.1563 -109223.7002 299.1708 -154.0086 -127.9882 760085.6940 12.1062 12.0577 PRESSURE: 2771000 179.241 -134.222 -162.526 -134.221 7.07297 -230.047 -162.525 -230.049 96.1406 GPRESSURE: 2771000 111.25 -170.194 -46.3689 -130.502 104.476 -233.608 -114.569 -35.9797 145.907 PRESSAVG: 2771000 -14.3813 -17.081 23.8492 -17.081 -3.07529 -40.2419 23.8493 -40.2419 -7.14747 GPRESSAVG: 2771000 -15.1076 -15.0718 24.8985 -16.3925 -2.87242 -43.4953 26.1512 -36.6666 -6.72414 TIMING: 2771000 CPU: 8758.82, 0.00311775/step Wall: 8758.82, 0.00311775/step, 1.93041 hours remaining, 240.785156 MB of memory in use. ENERGY: 2771000 4041.8722 20547.9018 14439.3451 242.4140 -203234.5284 2378.0733 0.0000 0.0000 52017.2247 -109567.6973 298.9437 -161584.9220 -109208.9117 298.7023 94.1514 120.5445 761595.9197 -8.2013 -8.2347 PRESSURE: 2771200 -206.874 -108.501 80.0117 -108.501 -220.256 17.6614 80.012 17.6608 23.7333 GPRESSURE: 2771200 -140.11 -212.166 127.279 -135.049 -246.186 -44.8555 -62.8895 4.44508 88.6138 PRESSAVG: 2771200 52.3178 29.8497 76.438 29.8497 -64.9835 -16.18 76.4381 -16.18 -9.78169 GPRESSAVG: 2771200 51.5458 29.0712 75.1506 28.6022 -63.9356 -15.2599 75.1029 -18.3412 -10.2033 TIMING: 2771200 CPU: 8759.45, 0.00312286/step Wall: 8759.45, 0.00312286/step, 1.9334 hours remaining, 240.785156 MB of memory in use. ENERGY: 2771200 4021.5193 20502.7185 14396.7962 236.2901 -203161.8380 2494.2066 0.0000 0.0000 51844.4674 -109665.8399 297.9509 -161510.3073 -109316.3057 298.5177 -134.4654 -99.2273 762192.2136 -7.4825 -7.5310 PRESSURE: 2771400 -172.051 -277.982 88.9767 -277.982 18.2821 15.1448 88.9772 15.1446 -70.8041 GPRESSURE: 2771400 -111.308 -263.608 48.6245 -62.1847 28.4095 32.539 94.8858 20.2701 -63.4052 PRESSAVG: 2771400 28.2559 -13.7811 25.2743 -13.7811 -1.64591 -71.5445 25.2744 -71.5446 -0.134019 GPRESSAVG: 2771400 28.6518 -13.8449 26.6301 -12.7746 -3.16837 -72.2512 24.4632 -72.4884 1.21158 TIMING: 2771400 CPU: 8760.08, 0.00313067/step Wall: 8760.08, 0.00313067/step, 1.93806 hours remaining, 240.785156 MB of memory in use. ENERGY: 2771400 3989.9952 20386.4001 14475.3222 238.1231 -203066.7919 2240.7407 0.0000 0.0000 52161.4686 -109574.7421 299.7727 -161736.2107 -109210.8650 298.7402 -74.8578 -48.7679 759677.4393 8.8253 8.8983 PRESSURE: 2771600 -210.794 -93.9683 94.7655 -93.9673 -147.003 -72.2741 94.7654 -72.276 -80.2152 GPRESSURE: 2771600 -114.759 -65.3216 112.541 22.6207 -74.8495 -131.943 143.715 38.3209 -163.9 PRESSAVG: 2771600 -20.5886 2.14743 -66.8871 2.14739 -8.58749 51.427 -66.887 51.4269 8.81693 GPRESSAVG: 2771600 -19.4916 4.2852 -67.3771 1.23847 -8.15846 52.2451 -63.7471 51.836 7.16156 TIMING: 2771600 CPU: 8760.7, 0.00314321/step Wall: 8760.7, 0.00314321/step, 1.94565 hours remaining, 240.785156 MB of memory in use. ENERGY: 2771600 3925.0055 20487.9589 14459.7319 247.5908 -202727.6020 2170.4078 0.0000 0.0000 51842.4090 -109594.4981 297.9390 -161436.9071 -109235.4977 298.7226 -146.0042 -117.8361 759961.6687 -6.7864 -6.8295 PRESSURE: 2771800 -49.6025 29.3639 99.4485 29.3638 -35.7089 130.015 99.4484 130.016 -185.851 GPRESSURE: 2771800 -69.1119 -29.6516 163.205 -86.7014 1.8305 74.5161 201.119 58.1971 -117.097 PRESSAVG: 2771800 0.185466 -1.68448 -14.3339 -1.68446 7.82906 -6.5674 -14.334 -6.56737 11.8527 GPRESSAVG: 2771800 -0.961762 -3.51558 -14.5657 -0.621558 8.00414 -6.2958 -17.2057 -4.52081 12.1371 TIMING: 2771800 CPU: 8761.33, 0.00314952/step Wall: 8761.33, 0.00314952/step, 1.94937 hours remaining, 240.785156 MB of memory in use. ENERGY: 2771800 3912.8413 20480.9008 14401.7606 262.2525 -203044.1409 2421.8238 0.0000 0.0000 52058.7840 -109505.7780 299.1825 -161564.5620 -109147.9540 298.6782 -90.3875 -61.4593 760748.8163 6.6224 6.3931 PRESSURE: 2772000 85.2897 -146.074 45.6209 -146.075 21.3445 -274.297 45.6206 -274.298 255.608 GPRESSURE: 2772000 9.53615 -93.9512 27.7139 -238.844 150.527 -290.616 128.119 -168.75 290.863 PRESSAVG: 2772000 17.4989 -17.7843 23.0016 -17.7843 -6.78048 -3.09155 23.0016 -3.09146 -11.3418 GPRESSAVG: 2772000 16.7609 -14.8762 21.8418 -18.7749 -5.36467 -4.87674 25.6483 -5.54614 -11.9366 TIMING: 2772000 CPU: 8761.96, 0.00314935/step Wall: 8761.96, 0.00314935/step, 1.9491 hours remaining, 240.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2772000 4011.9175 20478.4854 14398.8438 234.5431 -203426.1809 2569.3133 0.0000 0.0000 52311.8059 -109421.2718 300.6367 -161733.0777 -109066.2073 299.2762 120.7474 150.3088 758790.0270 -0.2078 -0.1801 PRESSURE: 2772200 -171.035 25.3092 -14.8282 25.3079 38.8361 311.08 -14.827 311.08 291.083 GPRESSURE: 2772200 -111.9 41.7978 11.4517 -25.1073 57.8906 246.953 -151.82 246.749 303.113 PRESSAVG: 2772200 -53.329 -41.266 29.1167 -41.2659 47.299 -2.52364 29.1167 -2.52369 1.26072 GPRESSAVG: 2772200 -53.1187 -40.975 28.7711 -40.3535 47.2542 -0.0709095 28.2392 -1.58361 0.93756 TIMING: 2772200 CPU: 8762.59, 0.0031426/step Wall: 8762.59, 0.0031426/step, 1.94475 hours remaining, 240.785156 MB of memory in use. ENERGY: 2772200 3946.7975 20508.7965 14417.7086 255.6390 -203348.4177 2447.9195 0.0000 0.0000 52297.8707 -109473.6858 300.5566 -161771.5566 -109105.1788 299.8491 52.9612 83.0347 759755.2929 -1.5898 -1.6423 LDB: ============= START OF LOAD BALANCING ============== 8774.99 LDB: ============== END OF LOAD BALANCING =============== 8774.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8774.99 LDB: ============= START OF LOAD BALANCING ============== 8775.3 LDB: Largest compute 7077 load 0.033063 is 16.9% of average load 0.196077 LDB: Average compute 0.004391 is 2.2% of average load 0.196077 LDB: TIME 8775.31 LOAD: AVG 0.196077 MAX 0.215799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 8775.31 LOAD: AVG 0.196077 MAX 0.215799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 8775.31 LOAD: AVG 0.196077 MAX 0.215799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 8775.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8775.32 PRESSURE: 2772400 340.025 157.567 -53.519 157.567 282.614 26.4138 -53.5186 26.4139 403.197 GPRESSURE: 2772400 407.093 266.628 -85.4363 84.4887 248.747 -42.5576 -6.00606 38.0929 452.271 PRESSAVG: 2772400 5.72588 14.8664 5.49669 14.8664 20.2995 -34.5469 5.4967 -34.5469 18.8817 GPRESSAVG: 2772400 6.53406 12.1307 6.62076 15.3975 19.2656 -34.8327 4.05117 -34.7294 19.0155 TIMING: 2772400 CPU: 8763.23, 0.00320424/step Wall: 8763.23, 0.00320424/step, 1.98271 hours remaining, 238.980469 MB of memory in use. ENERGY: 2772400 3960.8277 20786.9830 14397.6698 226.3796 -203692.3993 2849.1645 0.0000 0.0000 52141.9856 -109329.3890 299.6607 -161471.3746 -108978.0256 300.1549 341.9454 369.3706 758957.6943 14.9690 14.9384 PRESSURE: 2772600 -130.64 -161.214 -112.525 -161.214 21.1459 -80.1676 -112.525 -80.1669 -161.232 GPRESSURE: 2772600 -80.6523 -102.95 -37.2498 -173.571 -11.812 -86.481 -104.362 101.52 -87.0638 PRESSAVG: 2772600 -57.2455 -12.679 3.43905 -12.6789 -7.54345 -53.7426 3.43905 -53.7426 -13.7162 GPRESSAVG: 2772600 -57.2845 -10.9271 3.4612 -14.6973 -8.52515 -54.4235 3.7183 -53.2341 -12.4085 TIMING: 2772600 CPU: 8763.86, 0.00313754/step Wall: 8763.86, 0.00313754/step, 1.94127 hours remaining, 239.183594 MB of memory in use. ENERGY: 2772600 3952.7534 20514.4408 14508.0855 247.2431 -203346.4291 2458.0592 0.0000 0.0000 52404.8459 -109261.0013 301.1714 -161665.8472 -108895.7603 299.7971 -90.2423 -59.8427 759546.1968 -26.1684 -26.0727 PRESSURE: 2772800 217.465 148.675 -68.0252 148.675 -127.491 129.681 -68.0247 129.681 222.51 GPRESSURE: 2772800 219.299 37.0752 -14.8292 57.7077 -110.83 129.575 -5.30225 137.819 307.735 PRESSAVG: 2772800 -19.0286 24.9994 -20.9053 24.9994 26.8383 -7.39361 -20.9054 -7.39368 -8.22795 GPRESSAVG: 2772800 -18.401 23.7422 -22.0652 26.9235 26.1186 -7.40828 -19.5321 -6.63653 -8.19921 TIMING: 2772800 CPU: 8764.48, 0.00312077/step Wall: 8764.48, 0.00312077/step, 1.93072 hours remaining, 239.183594 MB of memory in use. ENERGY: 2772800 4058.1854 20711.8755 14394.5053 255.7004 -203578.7560 2582.4932 0.0000 0.0000 52293.2903 -109282.7060 300.5303 -161575.9962 -108919.2775 300.6539 104.1613 138.7343 761139.5685 -0.1394 -0.1605 PRESSURE: 2773000 70.4093 -115.404 99.62 -115.403 72.7445 251.692 99.6202 251.693 -130.912 GPRESSURE: 2773000 69.8392 -22.4962 72.4711 -18.2682 133.198 241.181 65.8279 87.9851 -115.721 PRESSAVG: 2773000 21.518 -67.2353 5.31957 -67.2353 55.3361 5.21177 5.31956 5.21182 -7.17128 GPRESSAVG: 2773000 21.3261 -66.2678 6.86687 -68.5698 56.7112 6.94313 1.51012 1.98282 -8.24688 TIMING: 2773000 CPU: 8765.11, 0.00314009/step Wall: 8765.11, 0.00314009/step, 1.94249 hours remaining, 239.183594 MB of memory in use. ENERGY: 2773000 4014.5700 20622.4635 14482.3031 258.4116 -203602.6991 2696.5033 0.0000 0.0000 52257.4213 -109271.0264 300.3241 -161528.4476 -108904.0334 300.1015 4.0807 29.1055 760166.9194 23.2276 23.2635 PRESSURE: 2773200 0.236114 -48.4762 -195.292 -48.4752 -242.738 89.21 -195.293 89.2099 -140.073 GPRESSURE: 2773200 -28.3687 -101.432 -215.276 -65.9035 -55.7071 93.5809 -33.0563 51.1751 -180.259 PRESSAVG: 2773200 -9.08016 -11.5578 31.1304 -11.5579 58.0502 9.91069 31.1304 9.91066 31.0058 GPRESSAVG: 2773200 -10.1413 -12.8588 30.7242 -9.85475 60.2284 8.68054 30.7448 12.9842 30.2679 TIMING: 2773200 CPU: 8765.74, 0.0031278/step Wall: 8765.74, 0.0031278/step, 1.93472 hours remaining, 239.183594 MB of memory in use. ENERGY: 2773200 3986.9539 20759.3161 14441.1805 249.2971 -203240.0576 2397.1653 0.0000 0.0000 52323.8158 -109082.3290 300.7057 -161406.1448 -108719.7306 300.7767 -127.5249 -88.1116 761806.4601 26.6586 26.7850 PRESSURE: 2773400 -352.177 -122.419 38.1811 -122.419 -201.4 -112.579 38.1809 -112.58 -128.312 GPRESSURE: 2773400 -261.53 -65.5813 70.5668 -66.2095 -234.621 -124.203 80.9881 -71.9876 -120.216 PRESSAVG: 2773400 48.9843 -36.596 10.2206 -36.596 -89.9823 -20.1438 10.2206 -20.1438 -5.54398 GPRESSAVG: 2773400 50.3184 -37.3768 11.2657 -35.9845 -92.9107 -19.4723 12.5842 -20.2114 -4.34423 TIMING: 2773400 CPU: 8766.37, 0.00314151/step Wall: 8766.37, 0.00314151/step, 1.94302 hours remaining, 239.183594 MB of memory in use. ENERGY: 2773400 4053.9224 20683.0970 14546.1724 264.6550 -203382.8386 2611.1037 0.0000 0.0000 52138.0605 -109085.8276 299.6382 -161223.8881 -108725.7519 300.0115 -227.2965 -205.4556 760442.1055 -15.5140 -15.6455 PRESSURE: 2773600 21.8921 -52.126 -107.08 -52.1264 -279.406 -81.666 -107.081 -81.6664 -269.45 GPRESSURE: 2773600 20.7121 -46.6051 -84.7431 -4.5435 -220.866 -100.781 -125.562 -105.475 -240.935 PRESSAVG: 2773600 75.5414 -76.3551 10.9361 -76.3551 -107.148 6.54533 10.936 6.54533 24.6396 GPRESSAVG: 2773600 73.3756 -74.5132 10.0501 -78.0921 -105.365 5.40999 11.4831 6.60669 25.2341 TIMING: 2773600 CPU: 8767, 0.00315385/step Wall: 8767, 0.00315385/step, 1.95048 hours remaining, 239.183594 MB of memory in use. ENERGY: 2773600 4031.2856 20577.4674 14481.9863 261.5127 -203132.8970 2346.2392 0.0000 0.0000 52199.9732 -109234.4325 299.9940 -161434.4057 -108867.0834 300.6979 -175.6547 -147.0296 761390.9426 -2.3222 -2.2517 PRESSURE: 2773800 77.2072 -48.511 119.336 -48.5098 -131.581 -255.936 119.337 -255.936 45.7099 GPRESSURE: 2773800 127.653 -84.7827 100.916 -40.3242 -43.9527 -299.189 22.7197 -150.976 -18.7569 PRESSAVG: 2773800 18.8925 -4.01288 16.2473 -4.01294 -48.2839 -26.6711 16.2472 -26.6712 2.81243 GPRESSAVG: 2773800 20.1237 -5.01365 14.7379 -3.60912 -48.0578 -24.7884 15.3797 -28.3253 1.99401 TIMING: 2773800 CPU: 8767.63, 0.00314918/step Wall: 8767.63, 0.00314918/step, 1.94742 hours remaining, 239.183594 MB of memory in use. ENERGY: 2773800 3867.4003 20675.7449 14456.6184 252.6842 -202969.0288 2287.8857 0.0000 0.0000 52167.3306 -109261.3647 299.8064 -161428.6953 -108905.3990 299.6860 -2.8881 21.6477 762057.8799 -8.8596 -8.6467 PRESSURE: 2774000 -52.308 123.931 188.347 123.931 -24.5699 1.3028 188.348 1.30355 -77.9617 GPRESSURE: 2774000 81.1715 108.548 113.527 174.053 -116.776 96.4016 193.551 44.6872 -16.4031 PRESSAVG: 2774000 82.578 -19.6105 21.1924 -19.6105 -23.1808 34.7255 21.1925 34.7256 7.24112 GPRESSAVG: 2774000 82.3404 -20.686 22.2867 -17.5239 -22.9435 35.1406 20.1222 36.4655 6.46103 TIMING: 2774000 CPU: 8768.25, 0.00311611/step Wall: 8768.25, 0.00311611/step, 1.92679 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2774000 3996.2501 20657.8734 14519.5859 244.3578 -203784.0613 2905.3834 0.0000 0.0000 52281.6085 -109179.0022 300.4631 -161460.6107 -108811.6352 300.0816 -51.6132 -17.3358 760836.5855 22.2128 21.9526 PRESSURE: 2774200 -192.699 95.3263 -247.781 95.3254 -164.526 -106.125 -247.781 -106.126 -110.186 GPRESSURE: 2774200 -261.825 208.091 -220.96 8.82434 -100.429 -108.812 -236.512 26.8881 -15.4038 PRESSAVG: 2774200 47.5377 -40.3601 14.7907 -40.3601 -39.3091 -0.918189 14.7906 -0.91815 0.217157 GPRESSAVG: 2774200 47.4955 -40.3231 17.31 -39.8697 -39.3998 -1.12457 14.201 -1.96646 0.0335672 TIMING: 2774200 CPU: 8768.87, 0.00311769/step Wall: 8768.87, 0.00311769/step, 1.9276 hours remaining, 239.183594 MB of memory in use. ENERGY: 2774200 4042.7102 20543.0466 14483.6795 240.0925 -203091.7781 2444.7169 0.0000 0.0000 52002.3312 -109335.2011 298.8581 -161337.5324 -108981.6872 299.6586 -155.8037 -125.8857 761323.6086 2.8153 2.7097 PRESSURE: 2774400 -344.26 63.7975 -5.49266 63.7975 -169.526 -324.782 -5.49222 -324.781 -307.333 GPRESSURE: 2774400 -294.276 -38.0796 33.9403 -43.8973 -209.333 -384.076 -100.108 -303.733 -230.314 PRESSAVG: 2774400 17.7375 32.9695 -11.75 32.9695 -22.4197 -33.6973 -11.75 -33.6974 6.58385 GPRESSAVG: 2774400 17.4998 34.7059 -14.4183 30.5714 -21.6437 -35.1211 -12.3189 -32.8368 6.22261 TIMING: 2774400 CPU: 8769.5, 0.00314613/step Wall: 8769.5, 0.00314613/step, 1.94501 hours remaining, 239.183594 MB of memory in use. ENERGY: 2774400 4037.6130 20623.9819 14475.2305 246.0423 -203119.9563 2336.8057 0.0000 0.0000 52176.7702 -109223.5126 299.8606 -161400.2829 -108866.0116 299.1091 -273.7060 -244.6408 761824.7025 0.6339 0.6929 PRESSURE: 2774600 36.1614 15.8395 -17.8062 15.8398 -260.689 -229.126 -17.8061 -229.125 -379.624 GPRESSURE: 2774600 25.5877 -14.3731 69.7212 127.839 -189.098 -143.266 13.3373 -157.589 -343.706 PRESSAVG: 2774600 33.8504 -41.7177 -12.82 -41.7176 -50.8281 -30.5035 -12.82 -30.5035 2.11205 GPRESSAVG: 2774600 33.5698 -43.0819 -11.6546 -41.4269 -50.2513 -30.6297 -10.5473 -30.1322 1.27539 TIMING: 2774600 CPU: 8770.13, 0.00314806/step Wall: 8770.13, 0.00314806/step, 1.94603 hours remaining, 239.183594 MB of memory in use. ENERGY: 2774600 4082.2939 20570.6488 14411.8927 257.1076 -203095.1651 2256.6125 0.0000 0.0000 52095.1753 -109421.4344 299.3917 -161516.6097 -109058.9787 299.2382 -201.3838 -169.0720 760039.8653 -4.9552 -5.1354 PRESSURE: 2774800 -111.063 114.975 -149.011 114.974 -98.3782 205.367 -149.011 205.367 -86.8388 GPRESSURE: 2774800 -110.498 46.7685 -146.61 113.978 -43.5527 239.798 1.60928 152.448 -68.1604 PRESSAVG: 2774800 -10.9997 -52.0048 5.29831 -52.0047 49.0608 23.4399 5.29832 23.4399 -8.92804 GPRESSAVG: 2774800 -10.5559 -53.6412 6.4671 -52.9449 47.2805 23.0498 4.04618 23.9167 -7.47233 TIMING: 2774800 CPU: 8770.76, 0.00315997/step Wall: 8770.76, 0.00315997/step, 1.95321 hours remaining, 239.183594 MB of memory in use. ENERGY: 2774800 4013.0650 20699.7405 14450.9894 244.9578 -203259.7518 2379.6644 0.0000 0.0000 52046.3088 -109425.0258 299.1109 -161471.3347 -109062.1448 299.2281 -98.7599 -74.0703 760757.3637 9.7110 9.7507 PRESSURE: 2775000 493.079 -170.164 -25.1492 -170.165 184.404 -220.391 -25.1493 -220.39 152.94 GPRESSURE: 2775000 490.645 -113.296 -33.6333 -163.083 235.383 -251.615 -45.5791 -178.977 186.156 PRESSAVG: 2775000 25.3198 -30.4507 -6.2914 -30.4507 -22.0471 -5.63322 -6.29136 -5.63331 15.8277 GPRESSAVG: 2775000 25.2547 -28.1488 -7.39413 -30.2973 -21.3676 -4.31504 -5.23861 -9.4867 15.5869 TIMING: 2775000 CPU: 8771.39, 0.0031242/step Wall: 8771.39, 0.0031242/step, 1.93093 hours remaining, 239.183594 MB of memory in use. ENERGY: 2775000 3896.7833 20580.5240 14431.4459 254.5184 -203741.8242 3007.7983 0.0000 0.0000 51882.6483 -109688.1061 298.1703 -161570.7544 -109323.2120 299.3566 276.8076 304.0614 759323.6606 6.3668 6.4913 PRESSURE: 2775200 49.7854 -51.5469 -117.452 -51.5466 -7.25537 -190.492 -117.453 -190.492 -501.851 GPRESSURE: 2775200 29.3229 -79.3319 -156.429 -27.3959 78.8196 -184.004 -115.265 -206.711 -467.714 PRESSAVG: 2775200 41.0113 -13.2651 49.2284 -13.2651 -34.9245 -7.94487 49.2284 -7.94486 4.02346 GPRESSAVG: 2775200 40.8383 -12.3447 48.5298 -15.1917 -33.7354 -8.9419 48.7611 -4.20218 3.59768 TIMING: 2775200 CPU: 8772.02, 0.00314306/step Wall: 8772.02, 0.00314306/step, 1.94241 hours remaining, 239.183594 MB of memory in use. ENERGY: 2775200 4009.4713 20472.6583 14453.9855 235.9226 -203254.7515 2378.7193 0.0000 0.0000 51997.7505 -109706.2441 298.8318 -161703.9945 -109340.3083 298.9840 -153.1070 -119.8573 760502.5693 3.3701 3.5668 PRESSURE: 2775400 202.27 -205.377 180.191 -205.378 237.878 -12.324 180.192 -12.3236 -56.8207 GPRESSURE: 2775400 270.413 -105.792 133.95 -124.49 238.716 37.6815 90.1357 -32.8956 -39.8059 PRESSAVG: 2775400 -0.756682 27.6579 11.9932 27.6579 -1.50002 53.136 11.9932 53.1361 -21.2839 GPRESSAVG: 2775400 0.306662 27.8739 12.9335 29.8516 -3.41979 53.0422 13.5375 52.6016 -20.2191 TIMING: 2775400 CPU: 8772.64, 0.0031229/step Wall: 8772.64, 0.0031229/step, 1.92978 hours remaining, 239.183594 MB of memory in use. ENERGY: 2775400 4036.5296 20515.4687 14452.3788 242.4438 -203256.0863 2549.3966 0.0000 0.0000 51932.9875 -109526.8813 298.4596 -161459.8688 -109166.2712 298.3669 127.7759 156.4409 760862.2654 -7.8469 -7.7774 PRESSURE: 2775600 -99.1054 -137.554 322.607 -137.555 73.9807 109.081 322.607 109.08 125.813 GPRESSURE: 2775600 -56.0854 -185.982 285.975 -68.5204 64.37 157.816 336.849 69.9476 180.462 PRESSAVG: 2775600 -17.1204 -7.02006 -2.12331 -7.02005 14.2899 51.2918 -2.12334 51.2918 4.17632 GPRESSAVG: 2775600 -17.7423 -6.62128 -2.33766 -10.1085 14.9601 50.5727 -2.37986 50.6166 3.86505 TIMING: 2775600 CPU: 8773.27, 0.00312957/step Wall: 8773.27, 0.00312957/step, 1.93372 hours remaining, 239.183594 MB of memory in use. ENERGY: 2775600 3992.7562 20505.1473 14446.0391 239.0763 -203563.2526 2770.1604 0.0000 0.0000 52004.1704 -109605.9029 298.8687 -161610.0733 -109256.5906 299.0504 33.5627 62.9157 759783.6746 0.4486 0.3610 PRESSURE: 2775800 179.095 -19.0572 -35.5627 -19.057 132.669 -27.7899 -35.562 -27.791 183.961 GPRESSURE: 2775800 331.066 -3.0107 25.8975 -23.0044 84.4921 10.661 7.38567 -94.1032 154.989 PRESSAVG: 2775800 28.6069 -60.3222 56.6765 -60.3221 -3.39915 -16.5071 56.6765 -16.5072 14.5472 GPRESSAVG: 2775800 29.2864 -62.6621 56.467 -57.6199 -3.39906 -15.9132 54.9283 -17.2949 13.2853 TIMING: 2775800 CPU: 8773.9, 0.0031466/step Wall: 8773.9, 0.0031466/step, 1.94408 hours remaining, 239.183594 MB of memory in use. ENERGY: 2775800 3923.3596 20533.2113 14506.1439 235.8570 -203220.9891 2654.7619 0.0000 0.0000 51802.8304 -109564.8252 297.7116 -161367.6555 -109198.4028 298.6347 165.2416 190.1823 760831.1325 13.2517 13.0576 PRESSURE: 2776000 -43.5162 -149.773 -100.502 -149.772 224.839 -48.7173 -100.502 -48.7168 -63.7209 GPRESSURE: 2776000 60.0092 -123.545 -100.239 -127.223 268.294 -42.6174 -69.537 -36.4995 -120.017 PRESSAVG: 2776000 -35.5465 -34.0976 16.1884 -34.0976 33.5355 -0.573554 16.1884 -0.573571 -9.07983 GPRESSAVG: 2776000 -35.9987 -32.3339 18.3534 -35.9372 32.9972 -2.62956 14.2495 0.405608 -8.23891 TIMING: 2776000 CPU: 8774.53, 0.00313486/step Wall: 8774.53, 0.00313486/step, 1.93664 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2776000 3912.0728 20496.8510 14415.9509 250.1494 -203216.3295 2538.6448 0.0000 0.0000 52070.9205 -109531.7402 299.2523 -161602.6607 -109166.9878 299.1520 39.2008 69.4288 761334.4575 -3.6970 -3.7468 PRESSURE: 2776200 239.787 223.162 -102.346 223.163 36.1563 19.3736 -102.346 19.3723 -35.476 GPRESSURE: 2776200 280.279 220.195 -68.0887 228.115 23.7166 -22.8199 -83.3818 -90.5849 30.9696 PRESSAVG: 2776200 15.1319 -39.9012 -39.6459 -39.9012 -15.6577 39.6892 -39.6459 39.6892 17.1668 GPRESSAVG: 2776200 15.1224 -40.6604 -41.1266 -38.7403 -15.3695 40.6756 -36.9134 39.1573 17.5979 TIMING: 2776200 CPU: 8775.16, 0.00316007/step Wall: 8775.16, 0.00316008/step, 1.95205 hours remaining, 239.183594 MB of memory in use. ENERGY: 2776200 4039.5550 20517.4830 14419.2746 228.0256 -203373.4824 2591.4419 0.0000 0.0000 52134.7757 -109442.9267 299.6193 -161577.7024 -109080.9433 299.0342 80.1556 111.6550 760556.2530 5.5470 5.7836 LDB: ============= START OF LOAD BALANCING ============== 8787.55 LDB: ============== END OF LOAD BALANCING =============== 8787.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8787.56 LDB: ============= START OF LOAD BALANCING ============== 8787.87 LDB: Largest compute 7077 load 0.034607 is 17.7% of average load 0.196057 LDB: Average compute 0.004381 is 2.2% of average load 0.196057 LDB: TIME 8787.88 LOAD: AVG 0.196057 MAX 0.219482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.949 MB LDB: TIME 8787.88 LOAD: AVG 0.196057 MAX 0.219482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 8787.88 LOAD: AVG 0.196057 MAX 0.217575 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 8787.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8787.88 PRESSURE: 2776400 -135.056 36.5052 92.1396 36.5048 -118.882 313.881 92.1401 313.882 144.436 GPRESSURE: 2776400 -68.7597 -19.352 28.5411 82.967 -54.8491 272.829 -23.3692 210.295 86.9972 PRESSAVG: 2776400 -1.27172 -23.7729 -4.42392 -23.7729 -7.36189 13.0758 -4.42388 13.0757 -17.3495 GPRESSAVG: 2776400 -0.743731 -24.1424 -5.76493 -23.6473 -7.63908 13.4534 -5.40631 11.9794 -17.4721 TIMING: 2776400 CPU: 8775.8, 0.00321904/step Wall: 8775.8, 0.00321904/step, 1.9883 hours remaining, 237.640625 MB of memory in use. ENERGY: 2776400 4018.4914 20444.8488 14444.4562 253.6048 -203130.4012 2517.1184 0.0000 0.0000 51975.8718 -109476.0098 298.7060 -161451.8815 -109115.1774 299.4056 -36.5008 -12.2039 761149.3850 -8.6610 -8.6183 PRESSURE: 2776600 43.31 146.274 -177.656 146.274 -71.8929 -48.194 -177.656 -48.1924 203.064 GPRESSURE: 2776600 89.1406 25.3294 -66.1767 4.54285 -29.9201 -2.49664 -307.969 -109.797 188.721 PRESSAVG: 2776600 -9.89419 20.3528 23.1096 20.3528 42.3868 65.8716 23.1096 65.8717 11.2363 GPRESSAVG: 2776600 -10.2195 19.872 23.5826 20.4749 42.0444 66.8327 22.6453 64.9205 11.7388 TIMING: 2776600 CPU: 8776.43, 0.00313635/step Wall: 8776.43, 0.00313635/step, 1.93704 hours remaining, 237.843750 MB of memory in use. ENERGY: 2776600 4004.6938 20579.3518 14518.7965 224.8515 -203233.5222 2563.8434 0.0000 0.0000 51926.9702 -109415.0150 298.4250 -161341.9852 -109046.4343 299.3477 58.1604 82.6473 760681.1163 14.5763 14.5212 PRESSURE: 2776800 -72.9855 24.4191 240.798 24.4197 226.81 44.2114 240.798 44.2099 -309.967 GPRESSURE: 2776800 -81.0724 -73.3102 205.02 -7.49632 348.603 39.5836 201.708 57.2595 -325.24 PRESSAVG: 2776800 -22.2859 -48.5843 17.441 -48.5843 -6.17677 25.089 17.441 25.0889 25.2918 GPRESSAVG: 2776800 -22.6816 -50.5011 18.517 -50.3659 -5.41088 24.3677 19.926 26.8832 24.9918 TIMING: 2776800 CPU: 8777.06, 0.00314184/step Wall: 8777.06, 0.00314184/step, 1.94026 hours remaining, 237.843750 MB of memory in use. ENERGY: 2776800 3975.8591 20382.2348 14413.4264 237.8561 -203352.1376 2702.9944 0.0000 0.0000 52299.8635 -109339.9033 300.5680 -161639.7668 -108984.2995 298.9931 -52.0473 -19.2365 762153.7675 -1.0570 -1.0335 PRESSURE: 2777000 -208.207 -68.9268 -2.74718 -68.9279 -156.752 96.2115 -2.74636 96.2108 -498.647 GPRESSURE: 2777000 -159.211 4.4704 54.6339 123.472 -216.498 111.687 -5.91488 48.7716 -396.341 PRESSAVG: 2777000 15.5422 -28.7289 58.871 -28.7289 -6.34597 33.1933 58.871 33.1932 22.8657 GPRESSAVG: 2777000 17.9832 -27.7077 57.3071 -26.0249 -7.61409 34.6585 58.6296 32.6924 22.3522 TIMING: 2777000 CPU: 8777.68, 0.00314139/step Wall: 8777.68, 0.00314139/step, 1.93981 hours remaining, 237.843750 MB of memory in use. ENERGY: 2777000 4016.5298 20483.4929 14519.1055 262.3081 -202560.7537 2203.3867 0.0000 0.0000 51834.2997 -109241.6310 297.8924 -161075.9307 -108883.5381 299.3607 -287.8683 -257.3500 762394.0016 10.6873 10.9071 PRESSURE: 2777200 -141.571 -23.3234 325.34 -23.3235 -129.695 17.3505 325.34 17.35 -362.813 GPRESSURE: 2777200 -60.8217 9.59823 260.289 16.6652 -162.538 -26.7796 176.295 167.107 -331.032 PRESSAVG: 2777200 -58.1111 10.5922 26.0493 10.5922 39.1013 1.95847 26.0493 1.95845 13.5525 GPRESSAVG: 2777200 -59.0983 9.65544 25.6797 9.80763 38.7744 0.237614 25.0149 3.33709 14.2035 TIMING: 2777200 CPU: 8778.31, 0.00313572/step Wall: 8778.31, 0.00313572/step, 1.93613 hours remaining, 237.843750 MB of memory in use. ENERGY: 2777200 4032.2114 20574.4655 14457.7805 254.5479 -203165.5124 2414.8333 0.0000 0.0000 52223.6883 -109207.9855 300.1303 -161431.6737 -108842.2978 299.5169 -211.3596 -184.7972 762244.1704 -1.8191 -2.0401 PRESSURE: 2777400 -83.3397 72.6276 -54.3277 72.6278 -39.9528 110.861 -54.3266 110.86 157.364 GPRESSURE: 2777400 -32.2904 77.0293 -80.5019 43.6036 51.4721 114.107 -112.414 76.5715 102.585 PRESSAVG: 2777400 22.8832 -27.607 -10.4836 -27.6069 -9.02967 38.0821 -10.4835 38.0821 -2.13236 GPRESSAVG: 2777400 22.0669 -27.529 -12.1003 -29.539 -7.51629 38.6108 -9.69698 37.6117 -3.36452 TIMING: 2777400 CPU: 8778.94, 0.00312515/step Wall: 8778.94, 0.00312515/step, 1.92943 hours remaining, 237.843750 MB of memory in use. ENERGY: 2777400 3944.5423 20442.0560 14501.5016 237.8940 -203105.0651 2307.8763 0.0000 0.0000 52224.8972 -109446.2977 300.1372 -161671.1949 -109090.0064 299.9405 11.3571 40.5889 759887.9632 3.9071 3.7287 PRESSURE: 2777600 266.424 -10.888 205.062 -10.8878 -219.437 83.3032 205.062 83.3044 91.1886 GPRESSURE: 2777600 224.322 -13.3822 263.299 17.5546 -160.451 -6.5101 83.0357 -31.4437 168.063 PRESSAVG: 2777600 54.0091 -5.95744 11.9681 -5.95739 -62.31 13.1066 11.9681 13.1066 20.8179 GPRESSAVG: 2777600 53.6051 -5.73997 15.0184 -5.82558 -61.9273 12.6657 8.70493 12.5869 21.4251 TIMING: 2777600 CPU: 8779.57, 0.00315966/step Wall: 8779.57, 0.00315966/step, 1.95056 hours remaining, 237.843750 MB of memory in use. ENERGY: 2777600 3995.5652 20448.0164 14450.2997 240.5105 -203312.8405 2420.4421 0.0000 0.0000 52333.8998 -109424.1068 300.7636 -161758.0065 -109057.5344 299.1427 46.0586 77.3117 759629.3443 4.1723 4.3676 PRESSURE: 2777800 -18.9354 80.2784 23.8948 80.2783 183.26 144.165 23.8944 144.165 156.407 GPRESSURE: 2777800 49.7135 74.9038 -26.6928 218.325 214.093 150.895 -28.3324 222.349 141.088 PRESSAVG: 2777800 1.8434 -8.00742 5.36152 -8.00742 -44.5314 -36.9358 5.3614 -36.9358 5.62466 GPRESSAVG: 2777800 3.01822 -8.56883 4.69486 -5.87988 -45.1969 -36.4394 5.50012 -36.5867 5.00688 TIMING: 2777800 CPU: 8780.2, 0.0031749/step Wall: 8780.2, 0.0031749/step, 1.95979 hours remaining, 237.843750 MB of memory in use. ENERGY: 2777800 4063.4864 20352.4318 14503.8406 247.1884 -203094.4792 2292.0907 0.0000 0.0000 52088.3028 -109547.1385 299.3522 -161635.4414 -109187.8146 299.2150 106.9107 134.9647 760690.2593 -12.3544 -12.3906 PRESSURE: 2778000 216.557 85.6044 -167.54 85.605 19.5993 -44.9252 -167.54 -44.9265 -162.379 GPRESSURE: 2778000 311.378 32.3373 -20.571 121.172 9.74437 -48.7872 -210.928 19.5709 -177.253 PRESSAVG: 2778000 3.28247 -41.2405 2.88617 -41.2405 -20.0374 -52.057 2.88617 -52.057 30.7079 GPRESSAVG: 2778000 2.92487 -39.4331 3.32095 -42.6291 -20.2285 -50.7664 5.16748 -52.834 30.9137 TIMING: 2778000 CPU: 8780.84, 0.00316634/step Wall: 8780.84, 0.00316634/step, 1.95434 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2778000 4030.3229 20481.3384 14511.0488 278.7657 -203141.5970 2327.4915 0.0000 0.0000 51855.2875 -109657.3422 298.0131 -161512.6297 -109307.4452 298.9009 24.5923 47.9565 760642.5697 4.6510 4.5367 PRESSURE: 2778200 -320.148 -64.3603 -59.1084 -64.3605 2.60651 -179.17 -59.1071 -179.17 114.543 GPRESSURE: 2778200 -253.404 -4.357 -26.0833 -59.9004 -33.4084 -197.548 -90.4313 -56.7359 160.06 PRESSAVG: 2778200 64.5171 19.9627 -24.9962 19.9626 -66.0053 -26.6158 -24.9963 -26.6158 15.3247 GPRESSAVG: 2778200 64.7711 20.5016 -25.2661 20.336 -66.1489 -28.8318 -27.422 -24.3305 15.6916 TIMING: 2778200 CPU: 8781.47, 0.00315789/step Wall: 8781.47, 0.00315789/step, 1.94894 hours remaining, 237.843750 MB of memory in use. ENERGY: 2778200 3929.3878 20561.9717 14424.5078 248.9238 -203205.8845 2266.9279 0.0000 0.0000 52269.9807 -109504.1848 300.3963 -161774.1655 -109135.1397 299.1136 -67.6662 -42.2507 761131.4362 4.6122 4.7713 PRESSURE: 2778400 137.968 -92.5708 181.444 -92.5701 52.4548 445.504 181.444 445.503 -230.546 GPRESSURE: 2778400 64.8947 82.8226 173.523 -66.2658 151.772 399.741 124.873 466.485 -143.208 PRESSAVG: 2778400 18.1786 -52.2035 -42.0076 -52.2035 -9.78762 75.7068 -42.0076 75.7068 11.7026 GPRESSAVG: 2778400 18.2346 -51.0611 -41.5793 -51.9829 -9.72885 74.3807 -41.5869 77.321 11.4371 TIMING: 2778400 CPU: 8782.1, 0.00316414/step Wall: 8782.1, 0.00316414/step, 1.95263 hours remaining, 237.843750 MB of memory in use. ENERGY: 2778400 3974.1122 20580.8648 14487.6325 244.7312 -203098.3898 2440.6329 0.0000 0.0000 51980.2380 -109390.1781 298.7311 -161370.4161 -109026.3255 299.2929 -13.3746 24.4861 761133.9205 6.6979 6.6476 PRESSURE: 2778600 -116.713 122.915 140.625 122.915 -591.196 -79.7067 140.625 -79.706 101.424 GPRESSURE: 2778600 -24.071 165.609 193.019 26.5882 -484.267 -118.261 115.097 -91.5056 16.4478 PRESSAVG: 2778600 28.3704 -43.8897 -10.9294 -43.8897 -38.5024 67.1351 -10.9294 67.1351 4.71806 GPRESSAVG: 2778600 27.69 -45.66 -11.2146 -44.1519 -39.1841 68.1325 -10.6269 65.1927 5.76842 TIMING: 2778600 CPU: 8782.73, 0.00314846/step Wall: 8782.73, 0.00314846/step, 1.94277 hours remaining, 237.843750 MB of memory in use. ENERGY: 2778600 4010.2917 20552.9891 14527.3172 239.7994 -203040.5821 2350.2744 0.0000 0.0000 52000.1139 -109359.7965 298.8454 -161359.9104 -108995.3627 298.9936 -202.1616 -163.9633 761523.7538 -1.8047 -1.9086 PRESSURE: 2778800 -59.429 -114.577 -150.814 -114.577 -58.7398 75.8643 -150.814 75.8634 -166.834 GPRESSURE: 2778800 -49.9748 -28.6758 -152.608 -258.578 24.4381 12.6929 -80.204 190.191 -145.359 PRESSAVG: 2778800 48.8952 -18.7402 -20.6366 -18.7402 -69.6179 14.4458 -20.6366 14.4458 -9.41972 GPRESSAVG: 2778800 49.5638 -16.9296 -21.4969 -20.3072 -70.2594 16.7381 -20.1042 12.2596 -10.0174 TIMING: 2778800 CPU: 8783.36, 0.00313058/step Wall: 8783.36, 0.00313058/step, 1.93157 hours remaining, 237.843750 MB of memory in use. ENERGY: 2778800 4010.7523 20563.2239 14552.2303 242.5981 -203187.7513 2613.9391 0.0000 0.0000 51819.8019 -109385.2058 297.8091 -161205.0077 -109015.6861 299.5373 -95.0010 -56.9654 762937.7249 -10.0475 -10.2377 PRESSURE: 2779000 9.01846 3.58899 86.8597 3.58877 -540.325 117.051 86.8597 117.051 -501.464 GPRESSURE: 2779000 18.7923 -217.106 58.8314 24.2257 -422.697 78.8944 -46.8556 26.2074 -538.709 PRESSAVG: 2779000 36.9774 -69.2657 7.59999 -69.2657 -21.3507 9.81142 7.59999 9.81145 3.93061 GPRESSAVG: 2779000 36.0181 -72.3088 7.9512 -66.0691 -19.9249 7.38514 5.29416 10.6905 3.66713 TIMING: 2779000 CPU: 8783.98, 0.00313243/step Wall: 8783.98, 0.00313243/step, 1.93254 hours remaining, 237.843750 MB of memory in use. ENERGY: 2779000 3939.2366 20459.5038 14398.3551 239.2658 -202997.3799 2505.7276 0.0000 0.0000 51911.6141 -109543.6769 298.3368 -161455.2909 -109183.0858 299.0840 -344.2566 -314.2043 763168.3434 6.5191 6.5868 PRESSURE: 2779200 89.1841 -241.023 156.954 -241.023 36.9583 99.2201 156.953 99.2198 -318.113 GPRESSURE: 2779200 110.728 -213.121 204.795 -207.054 36.8444 120.408 146.133 111.842 -273.718 PRESSAVG: 2779200 8.32544 -9.93892 36.5014 -9.93888 36.4804 -15.5403 36.5014 -15.5404 7.01044 GPRESSAVG: 2779200 8.34638 -9.72383 36.0097 -10.3382 36.4813 -14.786 38.9421 -16.8087 6.7593 TIMING: 2779200 CPU: 8784.61, 0.0031506/step Wall: 8784.61, 0.0031506/step, 1.94357 hours remaining, 237.843750 MB of memory in use. ENERGY: 2779200 3985.8417 20480.0953 14504.1405 229.1543 -203036.1061 2536.5942 0.0000 0.0000 51885.8248 -109414.4553 298.1885 -161300.2800 -109051.8175 299.4013 -63.9902 -42.0487 761986.6101 17.2721 17.1957 PRESSURE: 2779400 36.8133 -246.206 -214.033 -246.207 4.05196 105.306 -214.033 105.304 110.722 GPRESSURE: 2779400 52.6929 -222.617 -172.772 -136.013 67.915 127.392 -151.232 7.95636 118.845 PRESSAVG: 2779400 51.3168 -57.4242 68.7133 -57.4243 -8.02167 -67.6499 68.7133 -67.6499 -0.483132 GPRESSAVG: 2779400 51.648 -54.2579 68.6898 -59.9473 -7.32259 -66.9889 66.7308 -65.7159 -1.34109 TIMING: 2779400 CPU: 8785.24, 0.00315382/step Wall: 8785.24, 0.00315383/step, 1.94538 hours remaining, 237.843750 MB of memory in use. ENERGY: 2779400 4016.8114 20593.0216 14463.1563 241.2258 -202871.1590 2434.3761 0.0000 0.0000 51756.4963 -109366.0716 297.4453 -161122.5678 -109014.9421 299.1197 50.5292 79.8177 760400.2123 14.2707 14.3281 PRESSURE: 2779600 -543.188 88.8441 8.82242 88.8436 -17.9154 89.4019 8.82184 89.4021 -293.603 GPRESSURE: 2779600 -455.192 141.446 12.0476 8.65492 -40.7435 29.5004 -72.6259 -21.173 -273.428 PRESSAVG: 2779600 39.2312 -34.9031 -21.2272 -34.9031 -61.068 35.5962 -21.2273 35.5962 -21.2366 GPRESSAVG: 2779600 40.5797 -36.4753 -20.7124 -33.5751 -62.9242 36.1354 -19.3597 34.8658 -20.7088 TIMING: 2779600 CPU: 8785.88, 0.00315349/step Wall: 8785.88, 0.00315349/step, 1.945 hours remaining, 237.843750 MB of memory in use. ENERGY: 2779600 4068.3637 20597.6588 14470.6766 239.0784 -203202.5453 2370.3552 0.0000 0.0000 51916.7799 -109539.6328 298.3664 -161456.4126 -109183.2810 299.3656 -284.9023 -256.4543 760593.0401 -14.3578 -14.3511 PRESSURE: 2779800 -195.803 10.6492 -5.42223 10.6499 -581.874 56.7078 -5.42163 56.7086 -368.39 GPRESSURE: 2779800 -170.289 -0.040919 62.6574 8.27312 -505.449 74.2443 -155.538 82.4478 -380.382 PRESSAVG: 2779800 37.6056 -25.99 -4.67901 -25.99 9.20453 25.5479 -4.67899 25.5478 17.9613 GPRESSAVG: 2779800 36.702 -24.0382 -5.09811 -25.42 9.48332 26.9932 -4.84158 26.184 18.2586 TIMING: 2779800 CPU: 8786.5, 0.00314664/step Wall: 8786.5, 0.00314664/step, 1.9406 hours remaining, 237.843750 MB of memory in use. ENERGY: 2779800 4114.7293 20524.2042 14465.1109 236.0115 -203146.6436 2082.6799 0.0000 0.0000 52097.4647 -109626.4433 299.4048 -161723.9080 -109258.8436 298.9167 -382.0227 -352.0399 761952.3539 21.5905 21.4813 PRESSURE: 2780000 232.542 70.1465 -303.399 70.1469 -89.2664 -90.4252 -303.399 -90.4261 -91.4542 GPRESSURE: 2780000 197.911 2.79735 -251.916 51.321 -42.2044 7.26127 -274.786 15.4144 -0.472991 PRESSAVG: 2780000 30.2049 -4.7139 -46.8867 -4.71389 -58.6161 18.5214 -46.8866 18.5213 -2.03818 GPRESSAVG: 2780000 30.3719 -6.14573 -46.6885 -4.08477 -58.2856 17.5241 -46.2243 18.1999 -2.28349 TIMING: 2780000 CPU: 8787.13, 0.00314846/step Wall: 8787.13, 0.00314846/step, 1.94155 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2780000 4076.0549 20596.6865 14472.3068 249.1385 -203259.6248 2593.7198 0.0000 0.0000 51745.2504 -109526.4679 297.3807 -161271.7183 -109164.3745 298.9533 17.2739 51.7444 761538.3491 -10.1498 -10.0657 PRESSURE: 2780200 -235.235 -40.674 30.0107 -40.6741 -84.2412 139.731 30.0107 139.731 248.602 GPRESSURE: 2780200 -240.951 32.2042 12.1528 -107.073 -26.309 100.566 -8.17601 68.9519 252.359 PRESSAVG: 2780200 49.4116 -37.6324 74.9793 -37.6324 -18.2248 6.28354 74.9793 6.28348 -13.1891 GPRESSAVG: 2780200 49.8052 -36.8145 75.4374 -39.5088 -19.5364 5.8114 74.5889 6.23916 -12.3032 TIMING: 2780200 CPU: 8787.76, 0.00313945/step Wall: 8787.76, 0.00313945/step, 1.93582 hours remaining, 237.843750 MB of memory in use. ENERGY: 2780200 4058.3931 20525.9798 14470.0090 232.1274 -203769.7471 2762.1994 0.0000 0.0000 52391.1097 -109329.9287 301.0924 -161721.0384 -108967.2267 299.1429 -23.6246 -4.9671 759928.4656 5.9992 5.9886 LDB: ============= START OF LOAD BALANCING ============== 8800.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8800.16 LDB: =============== DONE WITH MIGRATION ================ 8800.16 LDB: ============= START OF LOAD BALANCING ============== 8800.48 LDB: Largest compute 7068 load 0.036494 is 18.6% of average load 0.196097 LDB: Average compute 0.004383 is 2.2% of average load 0.196097 LDB: TIME 8800.48 LOAD: AVG 0.196097 MAX 0.221175 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 8800.48 LOAD: AVG 0.196097 MAX 0.221175 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 8800.48 LOAD: AVG 0.196097 MAX 0.21808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 8800.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8800.49 PRESSURE: 2780400 -172.65 -147.028 10.7079 -147.028 459.169 195.101 10.7074 195.101 43.0364 GPRESSURE: 2780400 -103.886 -76.5296 1.00126 -35.1168 436.427 114.13 -48.6174 314.242 90.3021 PRESSAVG: 2780400 28.8705 4.30119 -31.9534 4.30115 -24.6898 52.911 -31.9535 52.911 13.2049 GPRESSAVG: 2780400 27.4743 3.71335 -31.7888 3.57772 -24.331 53.548 -32.0585 52.0734 14.2916 TIMING: 2780400 CPU: 8788.41, 0.00322623/step Wall: 8788.41, 0.00322623/step, 1.98915 hours remaining, 239.183594 MB of memory in use. ENERGY: 2780400 4003.6081 20501.4249 14474.7178 227.6678 -203468.1208 2639.8222 0.0000 0.0000 52181.3481 -109439.5320 299.8869 -161620.8801 -109079.4077 299.5971 109.8517 140.9475 760564.8319 5.7952 5.8116 PRESSURE: 2780600 400.166 -215.034 -74.7191 -215.034 -111.986 -104.903 -74.7185 -104.903 97.121 GPRESSURE: 2780600 409.991 -142.449 -54.71 -149.023 -80.7086 -74.0428 -65.5976 -141.498 138.02 PRESSAVG: 2780600 70.0974 7.91191 -19.5085 7.91189 -83.4594 32.0582 -19.5085 32.0581 24.7553 GPRESSAVG: 2780600 70.7912 6.615 -19.022 9.31081 -83.0518 32.2496 -21.172 32.7687 23.6492 TIMING: 2780600 CPU: 8789.04, 0.00318392/step Wall: 8789.04, 0.00318392/step, 1.96288 hours remaining, 239.386719 MB of memory in use. ENERGY: 2780600 3980.9583 20455.9784 14469.6543 252.0443 -203357.1848 2562.3779 0.0000 0.0000 52033.5387 -109602.6329 299.0375 -161636.1716 -109237.0455 299.2743 128.4336 155.7673 759497.0961 3.7978 3.7962 PRESSURE: 2780800 -417.843 4.10994 14.1894 4.11015 143.774 -225.164 14.1886 -225.165 -358.448 GPRESSURE: 2780800 -302.476 -51.7348 98.7805 70.1603 48.8238 -307.301 98.3844 -122.595 -330.779 PRESSAVG: 2780800 59.2511 -21.4933 -4.34747 -21.4933 -38.0634 22.1473 -4.34744 22.1473 -1.76283 GPRESSAVG: 2780800 58.9799 -20.7812 -5.95355 -22.5668 -37.8768 21.2559 -3.82905 21.2343 -2.05979 TIMING: 2780800 CPU: 8789.68, 0.00316807/step Wall: 8789.68, 0.00316807/step, 1.95294 hours remaining, 239.386719 MB of memory in use. ENERGY: 2780800 4010.9661 20549.7565 14408.4013 257.4972 -203344.1827 2460.7812 0.0000 0.0000 51854.3388 -109802.4417 298.0076 -161656.7805 -109438.3659 298.8169 -210.8388 -194.8105 758341.5786 6.4749 6.3478 PRESSURE: 2781000 119.868 -73.9935 135.365 -73.9942 210.865 -173.911 135.365 -173.911 103.686 GPRESSURE: 2781000 139.031 -164.371 182.328 -108.994 218.132 -226.584 107.136 -161.831 144.529 PRESSAVG: 2781000 22.6239 -106.975 -18.9529 -106.975 -17.6988 -18.5008 -18.9529 -18.5009 26.7447 GPRESSAVG: 2781000 23.5943 -107.314 -18.0594 -106.461 -19.3379 -19.9924 -19.8501 -18.7979 28.3099 TIMING: 2781000 CPU: 8790.31, 0.00314445/step Wall: 8790.31, 0.00314445/step, 1.9382 hours remaining, 239.386719 MB of memory in use. ENERGY: 2781000 3992.5387 20566.2400 14486.2379 246.9361 -203529.6909 2598.9842 0.0000 0.0000 52028.4107 -109610.3432 299.0080 -161638.7540 -109256.3798 298.6222 144.8063 167.2307 759793.0357 10.5566 10.8554 PRESSURE: 2781200 225.897 111.081 51.7536 111.081 -294.17 28.8987 51.7531 28.899 -211.454 GPRESSURE: 2781200 159.747 -2.14389 -65.897 129.987 -171.226 47.8323 113.911 72.7598 -168.268 PRESSAVG: 2781200 55.0098 -100.761 7.24073 -100.761 -25.9823 42.3067 7.24071 42.3067 36.2353 GPRESSAVG: 2781200 54.4716 -98.632 6.1515 -99.5216 -25.2948 42.8983 8.08022 43.7311 35.9718 TIMING: 2781200 CPU: 8790.93, 0.0031309/step Wall: 8790.93, 0.0031309/step, 1.92968 hours remaining, 239.386719 MB of memory in use. ENERGY: 2781200 3992.3599 20467.8030 14447.1530 242.1631 -203729.0115 2722.3846 0.0000 0.0000 52192.8680 -109664.2800 299.9531 -161857.1480 -109296.9570 299.1149 -93.2423 -59.9155 760752.8019 21.7543 21.7162 PRESSURE: 2781400 166.446 -65.9054 209.052 -65.9054 -274.185 119.201 209.052 119.201 108.353 GPRESSURE: 2781400 155.736 -57.4331 162.826 -14.9031 -147.63 140.209 124.168 163.153 88.3332 PRESSAVG: 2781400 53.8351 -5.80986 -23.8102 -5.8098 -102.769 50.4954 -23.8101 50.4954 -0.288084 GPRESSAVG: 2781400 54.3743 -8.26919 -23.6344 -7.16043 -102.297 51.5814 -21.9132 48.892 -1.26778 TIMING: 2781400 CPU: 8791.56, 0.00315593/step Wall: 8791.56, 0.00315593/step, 1.94493 hours remaining, 239.386719 MB of memory in use. ENERGY: 2781400 4008.7997 20506.2062 14483.0043 246.5990 -203734.6038 2875.2196 0.0000 0.0000 51921.5329 -109693.2420 298.3938 -161614.7750 -109330.2535 298.9309 0.2048 32.1466 759896.7683 -16.4074 -16.3968 PRESSURE: 2781600 -125.322 -71.1357 226.032 -71.1357 -181.338 315.893 226.032 315.892 -139.206 GPRESSURE: 2781600 -111.185 -97.0985 173.027 -2.90914 -103.465 299.274 177.96 254.312 -166.971 PRESSAVG: 2781600 11.1974 -17.7857 -28.1235 -17.7856 -6.49096 43.2229 -28.1235 43.2229 9.28923 GPRESSAVG: 2781600 10.1452 -16.6734 -27.6589 -17.4082 -6.29472 42.7334 -28.7672 43.4242 9.87981 TIMING: 2781600 CPU: 8792.2, 0.00316098/step Wall: 8792.2, 0.00316098/step, 1.94787 hours remaining, 239.386719 MB of memory in use. ENERGY: 2781600 4076.2603 20482.0776 14399.7148 247.7143 -202999.7413 2353.2643 0.0000 0.0000 51843.3044 -109597.4057 297.9442 -161440.7100 -109251.8557 298.8029 -148.6220 -127.2074 762042.5871 4.6652 4.5768 PRESSURE: 2781800 -78.7126 -264.581 -131.465 -264.582 -178.826 -0.792135 -131.466 -0.79296 109.382 GPRESSURE: 2781800 -98.5342 -263.444 -63.8053 -267.726 -63.4113 -31.8628 -121.883 62.5568 94.0261 PRESSAVG: 2781800 53.1853 -26.3686 25.9175 -26.3686 -56.685 -14.9202 25.9175 -14.9203 5.21825 GPRESSAVG: 2781800 54.5888 -27.3257 27.0523 -25.0929 -56.8102 -13.5149 26.0733 -13.443 4.19005 TIMING: 2781800 CPU: 8792.83, 0.00316514/step Wall: 8792.83, 0.00316514/step, 1.95025 hours remaining, 239.386719 MB of memory in use. ENERGY: 2781800 4011.8021 20683.1804 14438.9776 251.5758 -203364.0124 2555.4675 0.0000 0.0000 51705.0189 -109717.9902 297.1495 -161423.0091 -109367.7622 298.8282 -49.3857 -22.6398 760920.3969 0.5728 0.6562 PRESSURE: 2782000 -40.2731 53.2361 116.726 53.2362 -274.273 64.37 116.726 64.3693 -219.949 GPRESSURE: 2782000 49.1547 83.6376 50.4622 30.7077 -346.396 73.2389 47.9226 46.7405 -170.63 PRESSAVG: 2782000 7.59889 -0.567363 -31.433 -0.567355 -24.4287 25.9624 -31.433 25.9624 0.957402 GPRESSAVG: 2782000 7.53041 0.204732 -32.2027 -2.88815 -25.0949 24.0131 -31.1155 27.2658 1.48759 TIMING: 2782000 CPU: 8793.46, 0.00314123/step Wall: 8793.46, 0.00314123/step, 1.93535 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2782000 3899.3493 20444.5359 14445.0181 227.5965 -203376.4271 2556.8644 0.0000 0.0000 52165.7749 -109637.2880 299.7974 -161803.0629 -109283.6250 298.4889 -178.1648 -155.9570 760898.5052 -5.2908 -5.3590 PRESSURE: 2782200 -146.332 -134.016 127.539 -134.015 -274.759 -46.8064 127.539 -46.8067 111.868 GPRESSURE: 2782200 -47.1502 -97.9144 129.345 -37.997 -231.255 -47.8371 171.866 -181.196 61.8159 PRESSAVG: 2782200 57.0433 -24.9616 -32.0224 -24.9617 -52.5984 57.1746 -32.0224 57.1745 -3.6537 GPRESSAVG: 2782200 55.6813 -25.8135 -31.2796 -24.2753 -51.8345 59.3196 -31.8124 53.3081 -3.3157 TIMING: 2782200 CPU: 8794.09, 0.00314755/step Wall: 8794.09, 0.00314755/step, 1.93907 hours remaining, 239.386719 MB of memory in use. ENERGY: 2782200 3971.7011 20638.4501 14503.0807 254.7261 -203413.1005 2259.8882 0.0000 0.0000 52209.8114 -109575.4429 300.0505 -161785.2543 -109220.9311 299.4603 -103.0745 -72.1965 760601.7803 0.2638 0.1770 PRESSURE: 2782400 -9.1617 -3.80087 46.8519 -3.80096 134.59 -276.657 46.8519 -276.656 -268.321 GPRESSURE: 2782400 94.0269 178.692 111.893 -32.1675 186.743 -274.649 35.9665 -135.882 -332.57 PRESSAVG: 2782400 44.5687 -25.3977 1.32728 -25.3976 -82.6985 -13.7543 1.3273 -13.7543 -2.7552 GPRESSAVG: 2782400 44.0608 -22.474 0.758203 -24.1285 -82.0435 -13.7601 -0.960568 -12.4005 -2.93848 TIMING: 2782400 CPU: 8794.72, 0.00315975/step Wall: 8794.72, 0.00315975/step, 1.94641 hours remaining, 239.386719 MB of memory in use. ENERGY: 2782400 3938.2392 20599.3486 14471.4261 259.2854 -203459.7428 2645.8612 0.0000 0.0000 52022.9382 -109522.6442 298.9765 -161545.5824 -109170.0133 299.1875 -47.6307 -17.2667 760381.3394 -13.6283 -13.6404 PRESSURE: 2782600 -140.804 36.6604 211.265 36.6596 12.784 -109.218 211.266 -109.219 -204.612 GPRESSURE: 2782600 -83.7772 0.770038 107.003 -44.1571 8.76923 -145.502 107.487 21.4402 -172.12 PRESSAVG: 2782600 29.5234 -15.4092 29.6703 -15.4091 -8.92536 -33.3673 29.6704 -33.3673 16.3948 GPRESSAVG: 2782600 31.2215 -19.4112 30.2673 -14.598 -9.84188 -35.655 30.8434 -31.3602 16.137 TIMING: 2782600 CPU: 8795.35, 0.00313927/step Wall: 8795.35, 0.00313927/step, 1.93362 hours remaining, 239.386719 MB of memory in use. ENERGY: 2782600 4016.9455 20561.2059 14420.8256 228.6047 -203318.6986 2424.9525 0.0000 0.0000 52081.0564 -109585.1080 299.3105 -161666.1644 -109214.7901 299.0470 -110.8773 -82.3759 760722.6315 12.3310 12.5055 PRESSURE: 2782800 336.628 119.353 100.823 119.353 284.765 40.9386 100.823 40.939 354.071 GPRESSURE: 2782800 357.987 19.456 95.4387 45.5149 331.864 95.4005 -72.7665 -57.0972 370.462 PRESSAVG: 2782800 23.6423 -62.0067 13.2081 -62.0067 -33.7977 58.5978 13.2081 58.5979 10.5686 GPRESSAVG: 2782800 23.8757 -62.0451 13.1959 -63.003 -33.9745 59.4601 13.5881 56.4447 10.5578 TIMING: 2782800 CPU: 8795.97, 0.00313483/step Wall: 8795.97, 0.00313483/step, 1.93071 hours remaining, 239.386719 MB of memory in use. ENERGY: 2782800 3913.4112 20574.3841 14446.3485 256.2188 -203468.6721 2623.3778 0.0000 0.0000 51941.8007 -109713.1310 298.5102 -161654.9317 -109355.0893 299.2510 325.1545 353.4376 760320.3905 0.1377 0.1530 PRESSURE: 2783000 -30.835 -184.704 215.77 -184.704 -61.7576 220.28 215.771 220.281 -247.704 GPRESSURE: 2783000 136.455 -156.382 179.395 -170.276 -70.1997 175.161 245.417 291.525 -296.456 PRESSAVG: 2783000 9.23292 -56.5693 40.3891 -56.5692 -31.7875 1.32597 40.3891 1.32606 3.9373 GPRESSAVG: 2783000 9.0655 -55.9547 38.7807 -54.9019 -29.9549 1.47443 40.0244 2.1359 2.59975 TIMING: 2783000 CPU: 8796.61, 0.0031605/step Wall: 8796.61, 0.0031605/step, 1.94634 hours remaining, 239.386719 MB of memory in use. ENERGY: 2783000 4097.6572 20377.1969 14496.4675 252.7420 -203379.4944 2447.4724 0.0000 0.0000 52019.6287 -109688.3297 298.9575 -161707.9584 -109322.9435 298.7748 -113.4322 -76.7336 760253.9569 -6.2057 -6.0965 PRESSURE: 2783200 175.128 152.853 -199.21 152.852 -55.0123 23.5203 -199.21 23.5213 -5.21213 GPRESSURE: 2783200 216.919 164.894 -157.179 213.767 18.3184 -36.4273 -178.803 -27.4813 -25.2393 PRESSAVG: 2783200 72.1423 -39.8676 9.43801 -39.8676 -57.6644 -16.8876 9.43804 -16.8876 -13.5439 GPRESSAVG: 2783200 71.747 -38.9802 9.4403 -40.2244 -59.1484 -16.2393 9.03865 -16.666 -11.3928 TIMING: 2783200 CPU: 8797.24, 0.00316357/step Wall: 8797.24, 0.00316357/step, 1.94806 hours remaining, 239.386719 MB of memory in use. ENERGY: 2783200 3978.2568 20463.3566 14438.6795 243.9118 -203292.8509 2475.2963 0.0000 0.0000 51930.0009 -109763.3489 298.4424 -161693.3498 -109398.9118 298.4338 38.3013 69.9994 757624.7879 0.3113 0.4019 PRESSURE: 2783400 -120.045 28.0864 -55.8272 28.0868 -331.854 16.3555 -55.8274 16.3558 -320.967 GPRESSURE: 2783400 -61.7026 10.6374 8.38422 -8.70763 -307.992 -70.6184 -13.7952 -21.784 -328.309 PRESSAVG: 2783400 64.877 -28.5309 6.93146 -28.5309 -58.0048 -15.5171 6.93148 -15.5171 10.5 GPRESSAVG: 2783400 65.3667 -28.0558 5.85533 -29.7736 -57.6396 -17.9844 10.3836 -16.0583 10.2388 TIMING: 2783400 CPU: 8797.87, 0.00315284/step Wall: 8797.87, 0.00315284/step, 1.94127 hours remaining, 239.386719 MB of memory in use. ENERGY: 2783400 3975.6172 20374.5613 14484.3646 233.1744 -203306.1875 2425.3034 0.0000 0.0000 52094.0581 -109719.1085 299.3853 -161813.1666 -109350.2427 298.7509 -257.6217 -232.6677 760001.1659 5.7907 5.9887 PRESSURE: 2783600 387.865 -198.237 -53.1717 -198.237 180.94 39.0069 -53.1717 39.0069 95.902 GPRESSURE: 2783600 416.429 -149.764 -203.422 -104.986 160.298 32.3698 -48.8107 31.7012 177.943 PRESSAVG: 2783600 34.3261 -34.8275 11.1485 -34.8276 -16.7244 59.1972 11.1485 59.1971 -8.28524 GPRESSAVG: 2783600 33.1793 -35.4086 12.1166 -33.5557 -16.1006 60.2309 9.9183 58.8646 -7.53306 TIMING: 2783600 CPU: 8798.5, 0.00314208/step Wall: 8798.5, 0.00314208/step, 1.93447 hours remaining, 239.386719 MB of memory in use. ENERGY: 2783600 3953.7360 20716.4515 14485.6856 261.0881 -203711.6636 2764.8598 0.0000 0.0000 51898.8255 -109631.0171 298.2633 -161529.8426 -109273.5535 298.8600 221.5692 251.5568 758292.4197 3.1055 3.1819 PRESSURE: 2783800 173.655 32.4939 -48.4923 32.4947 -291.145 -90.739 -48.4918 -90.7385 -67.1724 GPRESSURE: 2783800 166.469 161.665 -71.5167 79.7445 -221.988 -100.815 2.27431 -211.816 -38.7934 PRESSAVG: 2783800 18.5263 -19.5985 21.8129 -19.5985 -16.8204 -31.2639 21.8129 -31.2639 -16.3322 GPRESSAVG: 2783800 19.7475 -18.9693 22.1254 -19.752 -17.1646 -31.184 20.4697 -30.6356 -17.2397 TIMING: 2783800 CPU: 8799.12, 0.00313575/step Wall: 8799.12, 0.00313575/step, 1.9304 hours remaining, 239.386719 MB of memory in use. ENERGY: 2783800 4004.0946 20447.2418 14489.0156 250.0246 -203416.9561 2534.0059 0.0000 0.0000 52124.2005 -109568.3729 299.5585 -161692.5735 -109191.9825 298.8638 -61.5541 -31.4375 759739.9458 -4.8755 -4.8856 PRESSURE: 2784000 -390.639 -80.9394 109.817 -80.9396 -330.496 79.1737 109.817 79.1739 -198.774 GPRESSURE: 2784000 -347.427 -149.052 53.3325 -61.7065 -298.87 53.1715 175.624 58.5418 -210.768 PRESSAVG: 2784000 -20.0735 -30.5571 -31.3105 -30.5571 18.2022 -40.5146 -31.3106 -40.5146 16.9107 GPRESSAVG: 2784000 -20.5286 -30.3341 -33.198 -30.2149 18.6365 -39.4835 -29.7646 -39.4794 16.5888 TIMING: 2784000 CPU: 8799.75, 0.00314495/step Wall: 8799.75, 0.00314495/step, 1.93589 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2784000 4016.9655 20609.4610 14354.2947 245.6476 -203312.3288 2469.5919 0.0000 0.0000 51927.5040 -109688.8641 298.4281 -161616.3681 -109327.0228 299.0128 -306.6364 -285.6883 760429.5138 5.0131 4.8989 PRESSURE: 2784200 137.229 -5.3959 84.7372 -5.39629 -51.1867 189.776 84.7379 189.776 -23.8958 GPRESSURE: 2784200 213.143 -21.5999 195.382 94.1438 -53.3593 146.571 35.103 110.451 -8.21743 PRESSAVG: 2784200 5.12842 -56.0153 -13.2282 -56.0153 13.1575 -21.4637 -13.2282 -21.4637 -14.7162 GPRESSAVG: 2784200 5.4849 -53.7498 -11.4283 -56.8988 12.5066 -22.3249 -15.4676 -23.0321 -14.4994 TIMING: 2784200 CPU: 8800.38, 0.00313163/step Wall: 8800.38, 0.00313163/step, 1.92752 hours remaining, 239.386719 MB of memory in use. ENERGY: 2784200 3909.0559 20589.2797 14410.2888 251.4697 -203545.0879 2471.0579 0.0000 0.0000 52022.6343 -109891.3015 298.9748 -161913.9358 -109522.2227 298.9463 20.7156 50.5221 758567.0965 1.1899 1.1640 LDB: ============= START OF LOAD BALANCING ============== 8812.78 LDB: ============== END OF LOAD BALANCING =============== 8812.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8812.78 LDB: ============= START OF LOAD BALANCING ============== 8813.1 LDB: Largest compute 7058 load 0.034751 is 17.7% of average load 0.195949 LDB: Average compute 0.004407 is 2.2% of average load 0.195949 LDB: TIME 8813.1 LOAD: AVG 0.195949 MAX 0.215622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.727 MB LDB: TIME 8813.1 LOAD: AVG 0.195949 MAX 0.215622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.797 MB LDB: TIME 8813.1 LOAD: AVG 0.195949 MAX 0.215622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.797 MB LDB: ============== END OF LOAD BALANCING =============== 8813.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8813.11 PRESSURE: 2784400 16.9463 -154.569 27.5214 -154.568 67.8024 85.7313 27.5217 85.7323 129.114 GPRESSURE: 2784400 162.031 -268.906 -32.6252 -161.954 -3.18011 55.837 134.233 24.3316 141.973 PRESSAVG: 2784400 39.5646 -36.9846 -16.6278 -36.9846 -93.3952 -51.3678 -16.6277 -51.3678 43.8727 GPRESSAVG: 2784400 40.834 -37.4883 -17.0047 -39.501 -94.5639 -50.7915 -15.3368 -50.3232 44.2405 TIMING: 2784400 CPU: 8801.02, 0.00321662/step Wall: 8801.02, 0.00321662/step, 1.97965 hours remaining, 238.855469 MB of memory in use. ENERGY: 2784400 3930.2586 20558.6458 14478.5903 235.0858 -203055.7334 2398.6636 0.0000 0.0000 51696.5873 -109757.9020 297.1010 -161454.4892 -109400.3320 298.8156 71.2875 100.2748 761479.9710 -3.3193 -3.1631 PRESSURE: 2784600 -132.185 -46.8833 -138.508 -46.8837 -92.4015 -189.23 -138.508 -189.23 166.495 GPRESSURE: 2784600 -63.2732 29.3757 -133.181 73.0202 -3.72107 -97.708 -109.295 -245.822 129.546 PRESSAVG: 2784600 37.9938 -31.923 26.8111 -31.9229 -30.8457 16.7454 26.8112 16.7453 -1.08148 GPRESSAVG: 2784600 38.3639 -31.6051 28.347 -30.1602 -29.9866 16.7981 25.6585 16.189 -2.13529 TIMING: 2784600 CPU: 8801.65, 0.003131/step Wall: 8801.65, 0.003131/step, 1.92678 hours remaining, 238.855469 MB of memory in use. ENERGY: 2784600 3936.9230 20535.3497 14483.4693 234.0480 -203396.4263 2519.3814 0.0000 0.0000 52139.7808 -109547.4741 299.6480 -161687.2549 -109188.0032 298.8485 -19.3639 20.8507 757649.7311 2.0222 2.0807 PRESSURE: 2784800 37.936 52.6056 4.14867 52.6058 -137.376 33.7838 4.14899 33.7843 121.317 GPRESSURE: 2784800 30.5121 -71.2026 45.5873 -6.6315 -10.5978 -10.5357 -51.9878 82.4238 102.59 PRESSAVG: 2784800 24.9553 -55.9565 41.9928 -55.9565 -29.2376 -21.6335 41.9928 -21.6335 3.93351 GPRESSAVG: 2784800 23.5722 -58.2235 39.5505 -53.986 -27.4873 -20.841 45.2197 -20.7226 3.52408 TIMING: 2784800 CPU: 8802.28, 0.00314957/step Wall: 8802.28, 0.00314957/step, 1.93804 hours remaining, 238.855469 MB of memory in use. ENERGY: 2784800 3961.9492 20455.5233 14447.2966 241.9828 -202965.3681 2279.3608 0.0000 0.0000 52015.5504 -109563.7051 298.9341 -161579.2555 -109194.0832 299.3002 7.2925 40.8349 760539.9400 -0.1163 -0.1303 PRESSURE: 2785000 56.6564 141.783 -178.044 141.783 71.5336 -53.2098 -178.045 -53.2105 -68.5598 GPRESSURE: 2785000 72.9968 223.859 -228.951 -67.0156 138.697 -65.5346 -162.544 -62.9397 -56.7472 PRESSAVG: 2785000 -7.02557 -51.145 -24.1669 -51.145 31.783 -1.83614 -24.1669 -1.83609 37.9981 GPRESSAVG: 2785000 -6.46017 -49.2922 -23.2106 -53.3477 29.785 -2.55154 -25.3192 -1.54196 39.123 TIMING: 2785000 CPU: 8802.91, 0.00314167/step Wall: 8802.91, 0.00314167/step, 1.933 hours remaining, 238.855469 MB of memory in use. ENERGY: 2785000 3946.9966 20604.5091 14419.2467 272.2037 -202735.3996 2040.8011 0.0000 0.0000 51944.1986 -109507.4437 298.5240 -161451.6423 -109144.8254 298.8298 19.8767 51.6491 759976.1504 20.9185 20.8159 PRESSURE: 2785200 192.372 -15.4903 -249.203 -15.4904 129.624 -18.2297 -249.202 -18.2307 -349.891 GPRESSURE: 2785200 166.934 -47.444 -281.051 -30.2917 215.654 -88.9696 -358.041 -62.5843 -342.999 PRESSAVG: 2785200 1.1397 7.54774 -56.7726 7.54772 45.1474 0.371945 -56.7726 0.371965 -17.7662 GPRESSAVG: 2785200 1.23671 6.85971 -57.1295 8.05013 46.3001 0.164678 -59.189 -2.26646 -19.1633 TIMING: 2785200 CPU: 8803.54, 0.00316045/step Wall: 8803.54, 0.00316045/step, 1.94438 hours remaining, 238.855469 MB of memory in use. ENERGY: 2785200 3905.3580 20447.8533 14426.7936 255.2816 -202985.9559 2343.3736 0.0000 0.0000 52123.7426 -109483.5533 299.5559 -161607.2960 -109112.8702 299.4007 -9.2982 13.1960 759458.7265 9.5070 9.4578 PRESSURE: 2785400 96.0194 134.049 -58.9946 134.049 -372.86 86.8211 -58.9938 86.8216 93.6902 GPRESSURE: 2785400 72.0503 65.6205 -87.8166 20.5872 -297.615 146.8 -116.581 82.655 121.052 PRESSAVG: 2785400 53.9512 -15.2718 -28.6027 -15.2718 -43.69 -26.3131 -28.6027 -26.3131 -4.74555 GPRESSAVG: 2785400 53.0569 -17.2566 -27.8526 -14.4394 -43.3403 -25.3146 -26.4107 -25.531 -3.80291 TIMING: 2785400 CPU: 8804.17, 0.00314866/step Wall: 8804.17, 0.00314866/step, 1.93695 hours remaining, 238.855469 MB of memory in use. ENERGY: 2785400 3983.2190 20564.9845 14449.2085 253.7677 -203254.4306 2634.6162 0.0000 0.0000 51991.5620 -109377.0728 298.7962 -161368.6348 -109019.2122 299.3109 -61.0500 -34.8376 760215.9167 1.8386 1.9712 PRESSURE: 2785600 -24.3183 85.3468 -27.831 85.347 -210.551 -99.5478 -27.8307 -99.5478 -324.886 GPRESSURE: 2785600 -33.7701 103.523 -39.8569 100.371 -224.179 -133.734 27.3761 -64.5018 -231.633 PRESSAVG: 2785600 8.39893 -53.3817 14.7691 -53.3817 -10.0019 -18.5132 14.7691 -18.5132 -14.4335 GPRESSAVG: 2785600 8.95587 -51.1821 15.5767 -53.6112 -9.73281 -18.1989 12.8167 -17.3961 -14.8946 TIMING: 2785600 CPU: 8804.79, 0.00310839/step Wall: 8804.79, 0.00310839/step, 1.912 hours remaining, 238.855469 MB of memory in use. ENERGY: 2785600 4025.3875 20553.2604 14415.8939 267.4913 -203077.3792 2113.1749 0.0000 0.0000 52266.3564 -109435.8148 300.3755 -161702.1712 -109076.1299 299.3499 -186.5849 -163.1939 759804.2819 -5.3455 -5.2238 PRESSURE: 2785800 -319.359 -32.1338 111.519 -32.1331 -190.004 -99.693 111.519 -99.6932 -661.061 GPRESSURE: 2785800 -293.587 93.0446 165.807 -143.277 -121.3 -88.1615 53.5397 -113.438 -684.698 PRESSAVG: 2785800 60.7214 -32.5566 9.79885 -32.5566 -43.3059 -22.2588 9.79885 -22.2588 -2.76888 GPRESSAVG: 2785800 60.494 -31.6041 6.93617 -30.6679 -43.4489 -23.9247 8.44914 -22.9502 -2.22633 TIMING: 2785800 CPU: 8805.42, 0.00315721/step Wall: 8805.42, 0.00315721/step, 1.94186 hours remaining, 238.855469 MB of memory in use. ENERGY: 2785800 3980.4089 20569.3118 14400.7504 255.1049 -202960.9117 2205.4493 0.0000 0.0000 51914.4362 -109635.4503 298.3530 -161549.8865 -109272.7682 298.9771 -390.1414 -366.5282 759955.4400 4.8822 4.9396 PRESSURE: 2786000 -10.3136 142.485 72.2015 142.485 141.6 1.28974 72.2006 1.29002 -157.689 GPRESSURE: 2786000 15.4105 66.4404 120.802 -19.8853 144.426 99.4524 -0.461511 -37.4384 -95.4648 PRESSAVG: 2786000 40.5077 -51.5259 -21.5652 -51.5259 -13.0753 17.5647 -21.5652 17.5647 5.58904 GPRESSAVG: 2786000 41.0612 -51.7601 -18.7833 -54.7529 -13.7942 18.7455 -21.2856 16.0551 5.3748 TIMING: 2786000 CPU: 8806.05, 0.00313972/step Wall: 8806.05, 0.00313972/step, 1.93093 hours remaining, 238.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2786000 3983.5507 20610.4077 14473.5143 275.4663 -203481.2987 2680.4159 0.0000 0.0000 51772.3131 -109685.6308 297.5362 -161457.9439 -109325.0430 298.8676 -8.8008 21.4572 759040.4761 11.0071 10.8806 PRESSURE: 2786200 144.445 -157.71 -134.892 -157.709 -14.1518 -54.6384 -134.891 -54.6387 49.0449 GPRESSURE: 2786200 184.836 -83.814 -133.886 -95.1072 -36.3726 -49.336 -99.544 -77.5179 122.959 PRESSAVG: 2786200 40.341 23.0691 17.9256 23.0691 -46.3034 -12.6633 17.9257 -12.6634 13.4853 GPRESSAVG: 2786200 39.4316 22.577 16.346 24.3793 -45.1962 -12.7484 18.7482 -11.3993 12.833 TIMING: 2786200 CPU: 8806.68, 0.00314841/step Wall: 8806.68, 0.00314841/step, 1.9361 hours remaining, 238.855469 MB of memory in use. ENERGY: 2786200 4045.2836 20593.7823 14456.7012 252.2033 -203284.5444 2460.6467 0.0000 0.0000 52155.9617 -109319.9656 299.7410 -161475.9273 -108961.3529 299.3504 59.7793 90.4740 759122.0478 2.5076 2.3562 PRESSURE: 2786400 164.579 130.414 -37.0197 130.414 146.228 43.0547 -37.0205 43.0542 45.1517 GPRESSURE: 2786400 191.081 198.645 -112.523 125.647 128.192 55.865 -17.2068 -27.6694 118.892 PRESSAVG: 2786400 7.75654 33.4199 -19.207 33.4199 -7.1154 6.51204 -19.207 6.51206 -14.1657 GPRESSAVG: 2786400 8.45097 33.5057 -20.5425 32.4998 -8.69536 6.06352 -18.1992 7.20952 -13.232 TIMING: 2786400 CPU: 8807.31, 0.00316344/step Wall: 8807.31, 0.00316344/step, 1.94516 hours remaining, 238.855469 MB of memory in use. ENERGY: 2786400 3992.5863 20632.7616 14485.3755 258.8891 -203105.4097 2450.3609 0.0000 0.0000 52208.1225 -109077.3137 300.0408 -161285.4363 -108714.9211 299.8492 118.6529 146.0551 759482.1369 -4.5082 -4.4921 PRESSURE: 2786600 128.068 64.4145 -47.6843 64.4146 -82.3213 92.8994 -47.6851 92.8997 -52.6241 GPRESSURE: 2786600 182.205 157.689 -50.5881 123.5 -101.15 61.5782 -74.4973 137.485 -30.1441 PRESSAVG: 2786600 20.0846 52.487 74.7465 52.487 -53.8718 -36.6868 74.7465 -36.6867 -8.04171 GPRESSAVG: 2786600 20.4744 52.686 76.4944 52.9182 -54.7368 -37.7491 72.0577 -37.814 -7.48812 TIMING: 2786600 CPU: 8807.95, 0.00316706/step Wall: 8807.95, 0.00316706/step, 1.94721 hours remaining, 238.855469 MB of memory in use. ENERGY: 2786600 3967.1460 20613.9650 14493.7521 277.8403 -203239.8603 2509.9718 0.0000 0.0000 52191.7225 -109185.4627 299.9465 -161377.1851 -108820.9791 299.6636 -2.2924 16.9705 759666.9193 -13.9430 -13.9169 PRESSURE: 2786800 61.7121 -0.967017 -143.439 -0.967138 101.113 -121.101 -143.44 -121.101 71.8775 GPRESSURE: 2786800 56.8001 -122.878 -125.905 3.73623 174.186 -123.221 -102.98 -115.042 84.4418 PRESSAVG: 2786800 34.0912 36.0686 -20.5846 36.0685 4.29547 24.1926 -20.5846 24.1926 12.5347 GPRESSAVG: 2786800 33.2478 35.7569 -21.1582 36.0822 5.45384 23.819 -19.7529 24.5903 11.9781 TIMING: 2786800 CPU: 8808.58, 0.00314309/step Wall: 8808.58, 0.00314309/step, 1.9323 hours remaining, 238.855469 MB of memory in use. ENERGY: 2786800 4020.9379 20677.0441 14482.1058 247.2516 -203384.0903 2598.6358 0.0000 0.0000 52293.4823 -109064.6328 300.5314 -161358.1151 -108715.5387 300.0004 78.2341 105.1428 759712.5036 16.9738 16.8932 PRESSURE: 2787000 86.2842 -6.16385 88.2376 -6.16419 -113.05 156.488 88.2378 156.488 56.3711 GPRESSURE: 2787000 77.2904 -1.70345 125.363 11.4739 -36.2474 158.096 221.082 64.2642 68.1529 PRESSAVG: 2787000 24.4052 -15.7061 -21.3698 -15.7061 -8.53574 -25.9533 -21.3699 -25.9532 -18.0624 GPRESSAVG: 2787000 24.7302 -14.5449 -21.8749 -16.1689 -9.03742 -23.483 -19.6586 -26.3298 -17.8685 TIMING: 2787000 CPU: 8809.21, 0.00316513/step Wall: 8809.21, 0.00316513/step, 1.94567 hours remaining, 238.855469 MB of memory in use. ENERGY: 2787000 4048.9804 20421.6804 14454.4836 230.0954 -203136.7431 2389.2242 0.0000 0.0000 52184.4811 -109407.7980 299.9049 -161592.2792 -109039.9366 300.1012 9.8686 36.3987 761734.1055 -0.7310 -0.7252 PRESSURE: 2787200 -301.744 33.0413 137.933 33.042 -388.396 115.649 137.934 115.649 -61.326 GPRESSURE: 2787200 -190.791 140.018 111.614 33.2142 -374.311 35.79 85.6932 13.2309 -119.467 PRESSAVG: 2787200 -17.8687 -71.5857 4.91111 -71.5857 -8.98548 -23.0783 4.91105 -23.0783 7.03661 GPRESSAVG: 2787200 -17.7419 -74.9954 6.15579 -71.3982 -8.75823 -23.0264 3.25581 -23.5408 6.7142 TIMING: 2787200 CPU: 8809.85, 0.00318414/step Wall: 8809.85, 0.00318414/step, 1.95718 hours remaining, 238.855469 MB of memory in use. ENERGY: 2787200 4007.1050 20564.8965 14471.0515 264.8834 -202748.8924 2108.6296 0.0000 0.0000 51970.9500 -109361.3764 298.6778 -161332.3264 -109004.5141 299.3969 -250.4885 -228.1895 762225.9002 -6.6059 -6.5953 PRESSURE: 2787400 -259.129 -106.012 -23.1135 -106.01 -291.772 -143.69 -23.1134 -143.69 -327.001 GPRESSURE: 2787400 -286.468 -136.971 11.2147 9.96286 -298.167 -164.757 -5.52137 -87.4957 -197.069 PRESSAVG: 2787400 -11.9387 -29.6182 3.39825 -29.6183 15.3779 11.3853 3.39821 11.3854 14.351 GPRESSAVG: 2787400 -12.524 -28.166 3.13043 -28.1718 15.1989 11.2026 3.10467 12.2408 15.0724 TIMING: 2787400 CPU: 8810.47, 0.00313502/step Wall: 8810.47, 0.00313502/step, 1.92682 hours remaining, 238.855469 MB of memory in use. ENERGY: 2787400 4019.1940 20508.7326 14372.2705 236.4185 -202981.3793 2223.3259 0.0000 0.0000 52172.1808 -109449.2571 299.8342 -161621.4379 -109088.5160 299.2654 -292.6343 -260.5682 760857.5721 5.9300 5.9157 PRESSURE: 2787600 -48.6056 88.7764 -135.386 88.7769 -231.373 261.588 -135.386 261.587 -66.361 GPRESSURE: 2787600 -7.73172 10.49 -196.311 -52.7177 -179.323 187.912 -18.642 273.282 -76.8894 PRESSAVG: 2787600 15.5508 -9.45489 22.1498 -9.45492 -1.43985 43.1865 22.1498 43.1865 -8.21959 GPRESSAVG: 2787600 15.4479 -9.89314 23.1684 -11.5078 -1.28561 41.6293 22.2503 45.1235 -8.7794 TIMING: 2787600 CPU: 8811.1, 0.00314023/step Wall: 8811.1, 0.00314023/step, 1.92985 hours remaining, 238.855469 MB of memory in use. ENERGY: 2787600 3979.2407 20797.7339 14436.9204 252.1214 -203297.0009 2387.2130 0.0000 0.0000 51948.4948 -109495.2768 298.5487 -161443.7715 -109138.7563 299.4043 -115.4467 -87.9812 759583.4438 1.9638 1.7943 PRESSURE: 2787800 88.1934 49.5644 -59.3782 49.5632 -85.8586 44.1962 -59.378 44.1955 525.875 GPRESSURE: 2787800 144.588 69.5226 -140.244 152.6 -44.4486 123.774 -24.4302 54.128 523.825 PRESSAVG: 2787800 31.3586 21.5304 -5.99155 21.5304 1.84785 -38.454 -5.99157 -38.454 7.76298 GPRESSAVG: 2787800 32.5542 22.6668 -6.42358 22.63 0.46621 -36.4287 -3.97789 -40.7561 7.51445 TIMING: 2787800 CPU: 8811.73, 0.00314725/step Wall: 8811.73, 0.00314725/step, 1.93398 hours remaining, 238.855469 MB of memory in use. ENERGY: 2787800 3996.8939 20638.9696 14433.2060 245.4048 -203579.7341 2819.0952 0.0000 0.0000 51963.5357 -109482.6289 298.6352 -161446.1646 -109113.5253 299.5317 176.0698 207.9881 759513.5491 13.6565 13.5116 PRESSURE: 2788000 -229.299 109.862 79.5045 109.863 -500.113 -136.059 79.5045 -136.059 -78.0393 GPRESSURE: 2788000 -185.999 3.96454 138.715 49.9405 -443.208 -189.641 108.896 -136.959 -90.8268 PRESSAVG: 2788000 67.4402 0.814937 5.27499 0.814944 -36.1022 -54.9485 5.27504 -54.9484 -5.55585 GPRESSAVG: 2788000 67.823 -1.19679 5.26686 2.22774 -36.1024 -54.5049 4.7625 -54.0726 -6.18274 TIMING: 2788000 CPU: 8812.36, 0.00315814/step Wall: 8812.36, 0.00315814/step, 1.9405 hours remaining, 238.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2788000 4012.7433 20662.7780 14448.7606 257.6877 -203532.2699 2456.3364 0.0000 0.0000 52140.6281 -109553.3358 299.6529 -161693.9638 -109197.7918 299.0059 -269.1505 -240.0114 760886.9527 8.5940 8.5126 PRESSURE: 2788200 471.722 -2.67696 -52.2851 -2.67632 145.975 57.7319 -52.2859 57.732 -306.058 GPRESSURE: 2788200 423.498 7.28221 -14.114 -6.90886 167.496 87.9464 -60.3643 96.6087 -212.316 PRESSAVG: 2788200 36.4045 5.7115 -17.8718 5.71151 -38.6965 -24.9889 -17.8718 -24.9889 3.19707 GPRESSAVG: 2788200 35.635 7.83532 -18.7132 5.58673 -38.407 -24.5166 -16.9588 -25.82 4.2641 TIMING: 2788200 CPU: 8812.99, 0.00313884/step Wall: 8812.99, 0.00313884/step, 1.92847 hours remaining, 238.855469 MB of memory in use. ENERGY: 2788200 3932.7719 20717.9260 14507.1666 238.0803 -203698.5447 2794.0595 0.0000 0.0000 51849.6197 -109658.9207 297.9805 -161508.5404 -109305.4346 298.9543 103.8794 126.2259 761279.1836 0.3017 0.4974 LDB: ============= START OF LOAD BALANCING ============== 8825.39 LDB: ============== END OF LOAD BALANCING =============== 8825.39 LDB: =============== DONE WITH MIGRATION ================ 8825.39 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 8825.7 LDB: Largest compute 7077 load 0.034460 is 17.6% of average load 0.195907 LDB: Average compute 0.004379 is 2.2% of average load 0.195907 LDB: TIME 8825.7 LOAD: AVG 0.195907 MAX 0.217444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.535 MB LDB: TIME 8825.7 LOAD: AVG 0.195907 MAX 0.217444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.602 MB LDB: TIME 8825.71 LOAD: AVG 0.195907 MAX 0.217444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.602 MB LDB: ============== END OF LOAD BALANCING =============== 8825.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8825.71 PRESSURE: 2788400 352.737 -116.009 30.5336 -116.009 511.118 144.418 30.533 144.418 514.951 GPRESSURE: 2788400 299.873 -53.486 137.965 -59.2499 589.292 182.792 -42.6501 66.6617 556.433 PRESSAVG: 2788400 6.7729 9.7657 -1.4384 9.76571 5.67425 -3.45942 -1.43841 -3.45946 18.2562 GPRESSAVG: 2788400 6.87774 11.2707 -0.217184 5.80753 5.87112 -5.88794 -4.81574 -2.3386 18.2163 TIMING: 2788400 CPU: 8813.63, 0.00320205/step Wall: 8813.63, 0.00320205/step, 1.96713 hours remaining, 241.238281 MB of memory in use. ENERGY: 2788400 3919.8360 20550.7917 14507.6708 267.2244 -204113.3787 3126.5471 0.0000 0.0000 52170.5105 -109570.7982 299.8246 -161741.3087 -109207.4582 298.8432 459.6020 481.8662 758922.3215 10.2345 10.3217 PRESSURE: 2788600 286.376 -46.4333 155.33 -46.4327 325.871 -194.204 155.33 -194.204 170.272 GPRESSURE: 2788600 222.404 35.3837 78.0046 -120.43 444.489 -176.655 81.7631 -164.366 211.042 PRESSAVG: 2788600 -32.0135 -40.7866 24.5216 -40.7866 78.4252 3.21642 24.5216 3.21646 32.1449 GPRESSAVG: 2788600 -30.7578 -41.1605 22.957 -38.8186 77.0823 5.23292 25.1043 0.758233 31.7222 TIMING: 2788600 CPU: 8814.26, 0.00313656/step Wall: 8814.26, 0.00313655/step, 1.92672 hours remaining, 241.304688 MB of memory in use. ENERGY: 2788600 3981.9495 20422.8719 14473.6259 237.1832 -203458.6669 2690.1760 0.0000 0.0000 52163.4618 -109489.3985 299.7841 -161652.8603 -109118.8630 299.6580 260.8398 292.6450 761095.0323 26.1856 26.0156 PRESSURE: 2788800 -208.541 -69.1193 204.383 -69.1191 -236.08 100.726 204.382 100.726 -10.8811 GPRESSURE: 2788800 -224.217 -127.088 130.652 -176.805 -210.408 97.6 174.216 160.594 47.4997 PRESSAVG: 2788800 14.6296 7.80243 -37.1588 7.80236 11.6297 48.0328 -37.1587 48.0328 -7.04807 GPRESSAVG: 2788800 12.6549 6.26464 -37.5779 7.75524 13.8977 47.2023 -37.9279 49.5028 -7.69337 TIMING: 2788800 CPU: 8814.89, 0.00315686/step Wall: 8814.89, 0.00315686/step, 1.93901 hours remaining, 241.304688 MB of memory in use. ENERGY: 2788800 3935.7952 20412.0261 14464.0646 238.0653 -203144.9990 2656.7732 0.0000 0.0000 51967.5834 -109470.6912 298.6584 -161438.2746 -109119.3238 299.5402 -151.8341 -129.0418 762307.2630 6.4037 6.2864 PRESSURE: 2789000 56.2413 -14.4169 180.753 -14.4176 -246.016 90.6917 180.752 90.6913 -29.0642 GPRESSURE: 2789000 174.464 40.135 134.781 20.134 -293.99 168.919 217.253 51.7991 -13.9044 PRESSAVG: 2789000 69.6767 2.1136 12.612 2.11362 -43.451 -62.5714 12.6119 -62.5714 16.8941 GPRESSAVG: 2789000 70.225 1.7748 13.1623 3.35041 -43.5452 -64.751 13.7939 -60.6878 17.278 TIMING: 2789000 CPU: 8815.52, 0.00314484/step Wall: 8815.52, 0.00314484/step, 1.93146 hours remaining, 241.304688 MB of memory in use. ENERGY: 2789000 3963.5685 20628.1543 14482.3288 250.6603 -202923.4880 2211.4729 0.0000 0.0000 51924.9015 -109462.4017 298.4131 -161387.3032 -109101.4130 299.0138 -72.9462 -44.4765 762609.5305 14.3732 14.6526 PRESSURE: 2789200 13.0156 -208.987 -35.1702 -208.987 -18.6434 109.993 -35.1702 109.993 -88.1561 GPRESSURE: 2789200 85.4311 -128.416 -57.0764 -67.5274 29.4617 98.6297 -125.05 88.6707 -116.508 PRESSAVG: 2789200 41.0612 8.79509 27.8261 8.79511 -44.5869 16.3277 27.826 16.3277 7.07801 GPRESSAVG: 2789200 41.5041 8.03493 26.9461 8.31999 -44.1809 16.8846 27.7551 14.7756 5.90195 TIMING: 2789200 CPU: 8816.14, 0.00312979/step Wall: 8816.14, 0.00312979/step, 1.92204 hours remaining, 241.304688 MB of memory in use. ENERGY: 2789200 3995.8622 20518.4519 14496.6717 272.8771 -203374.1615 2681.7160 0.0000 0.0000 51992.1707 -109416.4118 298.7997 -161408.5825 -109047.0872 298.6724 -31.2613 -0.5383 762173.8890 1.1841 1.0751 PRESSURE: 2789400 65.9187 -177.275 33.72 -177.274 350.58 49.6784 33.7202 49.6788 116.659 GPRESSURE: 2789400 211.977 -127.944 87.9002 -196.596 250.257 147.365 -30.3406 4.52861 174.919 PRESSAVG: 2789400 30.517 -31.2935 -5.11536 -31.2935 -10.7083 39.3231 -5.11537 39.3232 3.29933 GPRESSAVG: 2789400 30.3727 -29.7428 -3.05181 -31.1676 -11.4 41.2818 -4.20999 36.5661 4.35129 TIMING: 2789400 CPU: 8816.77, 0.00314707/step Wall: 8816.77, 0.00314707/step, 1.93248 hours remaining, 241.304688 MB of memory in use. ENERGY: 2789400 3946.8131 20565.6828 14476.1087 236.8138 -203457.0044 2970.7657 0.0000 0.0000 51684.2797 -109576.5405 297.0303 -161260.8202 -109217.4450 298.7043 177.7194 212.3843 761297.2516 7.7027 7.7746 PRESSURE: 2789600 61.1273 -40.8555 4.04985 -40.8556 -283.794 -37.0411 4.05143 -37.0401 198.852 GPRESSURE: 2789600 1.16874 -61.7018 -42.0341 -119.089 -170.342 -5.57157 -65.6768 -1.05687 240.919 PRESSAVG: 2789600 -16.0783 -67.6475 -23.1567 -67.6475 -1.59252 -18.0716 -23.1568 -18.0717 3.48439 GPRESSAVG: 2789600 -17.3785 -68.7531 -23.4362 -67.4748 -1.39829 -18.7282 -24.3299 -15.8556 4.48385 TIMING: 2789600 CPU: 8817.4, 0.00315461/step Wall: 8817.4, 0.00315461/step, 1.93693 hours remaining, 241.304688 MB of memory in use. ENERGY: 2789600 3955.4686 20352.1368 14443.4107 237.8721 -203093.3926 2492.3739 0.0000 0.0000 52030.9705 -109581.1599 299.0227 -161612.1304 -109212.9689 298.4716 -7.9381 23.9155 762513.5549 -4.7288 -4.7643 PRESSURE: 2789800 147.359 -244.256 -104.73 -244.257 120.651 -168.44 -104.73 -168.441 228.194 GPRESSURE: 2789800 195.399 -164.203 -121.691 -187.744 149.281 -69.5847 -108.229 -81.9752 231.482 PRESSAVG: 2789800 26.9552 -9.9752 7.54924 -9.97521 -29.9967 -8.93811 7.54927 -8.93814 14.9541 GPRESSAVG: 2789800 29.1059 -8.0927 6.56349 -11.5306 -30.7095 -9.07921 6.96022 -8.17116 13.298 TIMING: 2789800 CPU: 8818.04, 0.00317267/step Wall: 8818.04, 0.00317267/step, 1.94784 hours remaining, 241.304688 MB of memory in use. ENERGY: 2789800 3939.0919 20612.3552 14496.7350 230.1919 -202986.6997 2517.2617 0.0000 0.0000 51711.2357 -109479.8283 297.1852 -161191.0640 -109124.3685 298.2317 165.4014 192.0541 762127.9371 3.9708 3.8981 PRESSURE: 2790000 92.3429 85.5878 -40.424 85.5884 -165.436 27.3979 -40.4245 27.398 -265.812 GPRESSURE: 2790000 39.4778 186.078 23.0724 96.4807 -65.948 150.989 -32.6991 60.0193 -246.504 PRESSAVG: 2790000 -18.7055 -12.7471 -30.7018 -12.747 23.3095 25.5747 -30.7018 25.5747 5.95535 GPRESSAVG: 2790000 -19.2766 -13.0264 -28.611 -11.7674 22.5536 25.4545 -29.8479 24.7121 7.03234 TIMING: 2790000 CPU: 8818.67, 0.00314611/step Wall: 8818.67, 0.00314611/step, 1.93136 hours remaining, 241.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2790000 4001.3678 20597.8550 14476.7259 290.6719 -203405.3153 2562.1341 0.0000 0.0000 52164.9493 -109311.6114 299.7927 -161476.5606 -108954.6301 299.0434 -112.9683 -90.9915 761483.2178 3.5198 3.4365 PRESSURE: 2790200 113.294 -278.15 190.934 -278.149 153.652 209.899 190.933 209.9 62.2023 GPRESSURE: 2790200 147.128 -352.12 284.695 -238.572 180.618 189.768 191.057 87.5749 74.1356 PRESSAVG: 2790200 -16.6073 -41.971 19.5734 -41.971 12.3829 -6.7662 19.5733 -6.76615 1.617 GPRESSAVG: 2790200 -17.1546 -44.0436 18.0478 -42.4776 13.4727 -4.63394 20.0714 -8.47632 0.884275 TIMING: 2790200 CPU: 8819.3, 0.00316664/step Wall: 8819.3, 0.00316664/step, 1.94379 hours remaining, 241.304688 MB of memory in use. ENERGY: 2790200 4029.2203 20445.9113 14463.4403 251.3975 -203619.0761 2886.6389 0.0000 0.0000 52014.8994 -109527.5684 298.9303 -161542.4678 -109152.6467 299.4144 109.7159 133.9603 761785.7418 -0.8691 -0.9325 PRESSURE: 2790400 161.595 235.215 -95.0961 235.215 -109.732 90.4641 -95.0976 90.4639 13.3473 GPRESSURE: 2790400 197.697 224.175 -121.346 208.581 -42.0551 22.7909 -193.197 110.612 0.277046 PRESSAVG: 2790400 44.3245 -4.73249 30.1875 -4.73249 -9.57188 21.2337 30.1875 21.2338 -9.30176 GPRESSAVG: 2790400 44.9094 -3.2449 31.7479 -4.37727 -10.4917 18.429 29.3333 22.8239 -9.00056 TIMING: 2790400 CPU: 8819.93, 0.00314588/step Wall: 8819.93, 0.00314588/step, 1.93087 hours remaining, 241.304688 MB of memory in use. ENERGY: 2790400 4002.9618 20512.5824 14492.4771 237.0468 -203522.0281 2728.3352 0.0000 0.0000 52121.8016 -109426.8233 299.5447 -161548.6249 -109066.7423 299.0350 21.7370 51.9729 760292.0437 8.4836 8.4724 PRESSURE: 2790600 62.1205 44.5119 93.523 44.5124 -153.5 -74.9442 93.5233 -74.9449 -69.8961 GPRESSURE: 2790600 97.1441 9.01415 65.3403 11.1148 -71.7457 -93.7616 191.171 24.9932 -110.544 PRESSAVG: 2790600 42.3682 -38.8609 -50.0544 -38.861 -13.5953 -7.8264 -50.0544 -7.82644 -1.30629 GPRESSAVG: 2790600 42.8418 -38.2545 -51.7747 -39.2539 -13.7712 -6.65531 -49.3142 -7.23772 -2.36622 TIMING: 2790600 CPU: 8820.56, 0.00314288/step Wall: 8820.56, 0.00314288/step, 1.92886 hours remaining, 241.304688 MB of memory in use. ENERGY: 2790600 4022.5123 20481.5228 14461.3459 256.4153 -203426.4325 2737.2070 0.0000 0.0000 51859.9077 -109607.5215 298.0396 -161467.4292 -109255.1346 299.0027 -53.7586 -28.3818 761404.2301 9.1555 8.9014 PRESSURE: 2790800 2.09375 307.817 94.5725 307.815 -69.2047 17.2292 94.5726 17.2296 -303.675 GPRESSURE: 2790800 -27.449 357.413 113.324 275.765 68.3579 84.8871 96.9181 58.3743 -309.631 PRESSAVG: 2790800 85.7918 -14.2295 -33.9356 -14.2296 -41.0242 -3.62102 -33.9355 -3.62106 13.0744 GPRESSAVG: 2790800 85.6645 -14.5475 -34.4243 -14.5655 -40.2227 -2.9877 -35.3302 -4.33443 13.0394 TIMING: 2790800 CPU: 8821.19, 0.00314669/step Wall: 8821.19, 0.00314669/step, 1.93102 hours remaining, 241.304688 MB of memory in use. ENERGY: 2790800 4064.1142 20349.0649 14383.6109 256.8510 -203516.2190 2724.3281 0.0000 0.0000 52182.2139 -109556.0361 299.8919 -161738.2499 -109204.5522 299.0788 -123.5954 -89.5741 760043.0877 19.2806 19.4937 PRESSURE: 2791000 213.759 437.23 46.9964 437.229 -101.12 -195.952 46.9953 -195.952 -90.4197 GPRESSURE: 2791000 280.897 403.148 139.56 315.187 -54.3583 -106.24 -49.7813 -201.371 -112.675 PRESSAVG: 2791000 0.133889 3.01461 -11.4618 3.01459 14.9777 20.0905 -11.4617 20.0905 16.2479 GPRESSAVG: 2791000 -1.39254 2.481 -12.1965 4.05879 14.9761 20.0439 -9.68096 20.7785 17.6006 TIMING: 2791000 CPU: 8821.82, 0.00314432/step Wall: 8821.82, 0.00314432/step, 1.92939 hours remaining, 241.304688 MB of memory in use. ENERGY: 2791000 3994.6581 20594.3326 14404.8570 230.7778 -203133.9839 2594.1784 0.0000 0.0000 51966.9877 -109348.1924 298.6550 -161315.1800 -108998.9159 299.4387 7.4062 37.9545 759799.3245 10.4532 10.3947 PRESSURE: 2791200 58.6835 -34.9281 -26.8331 -34.9277 86.2024 -234.444 -26.8324 -234.443 69.5894 GPRESSURE: 2791200 123.019 -78.4612 59.7468 68.6361 99.7838 -246.1 0.754036 -253.058 75.7575 PRESSAVG: 2791200 35.0792 -28.1181 23.7395 -28.1181 -28.647 12.6785 23.7394 12.6784 -22.5519 GPRESSAVG: 2791200 36.9917 -26.3007 25.1241 -28.7235 -28.4105 11.4764 22.4469 13.8068 -24.4825 TIMING: 2791200 CPU: 8822.45, 0.00314398/step Wall: 8822.45, 0.00314398/step, 1.92901 hours remaining, 241.304688 MB of memory in use. ENERGY: 2791200 3984.0723 20636.4743 14461.4218 260.8694 -203366.8690 2701.2187 0.0000 0.0000 51876.7812 -109446.0315 298.1366 -161322.8127 -109100.2678 299.7786 71.4918 99.5202 759582.4282 -5.3732 -5.3004 PRESSURE: 2791400 -83.0188 181.794 -94.2471 181.793 -221.524 -31.5856 -94.2472 -31.5863 -510.247 GPRESSURE: 2791400 -87.0397 81.2374 -102.838 174.067 -165.97 62.4984 -58.77 -36.2022 -479.16 PRESSAVG: 2791400 -17.38 26.7155 2.15642 26.7155 -6.87343 -45.8054 2.15635 -45.8054 4.09279 GPRESSAVG: 2791400 -19.5248 25.5297 1.09128 27.6537 -6.73418 -45.0664 2.25102 -49.4162 6.27145 TIMING: 2791400 CPU: 8823.07, 0.00314027/step Wall: 8823.07, 0.00314027/step, 1.92656 hours remaining, 241.304688 MB of memory in use. ENERGY: 2791400 4031.5360 20566.7412 14479.9504 262.3287 -203005.4857 2302.2477 0.0000 0.0000 51999.1294 -109363.5523 298.8397 -161362.6816 -109010.8720 299.8208 -271.5966 -244.0564 760697.6430 -6.7202 -6.6625 PRESSURE: 2791600 237.424 -76.1661 78.3927 -76.165 -120.645 -53.707 78.3934 -53.7062 15.197 GPRESSURE: 2791600 220.19 -169.621 16.119 -167.067 -9.82641 -106.025 131.581 -95.1755 -10.553 PRESSAVG: 2791600 10.4665 33.3326 20.721 33.3326 4.81683 -33.314 20.7209 -33.314 3.78598 GPRESSAVG: 2791600 11.0948 33.8389 21.5958 28.9193 4.1422 -34.8309 18.6633 -30.8831 3.98551 TIMING: 2791600 CPU: 8823.7, 0.0031479/step Wall: 8823.7, 0.0031479/step, 1.93106 hours remaining, 241.304688 MB of memory in use. ENERGY: 2791600 4001.2788 20578.5410 14481.7151 251.5840 -203134.3854 2434.7381 0.0000 0.0000 52009.9161 -109376.6123 298.9017 -161386.5284 -109011.9767 299.7604 43.9919 66.6037 760800.0505 6.3564 6.4075 PRESSURE: 2791800 -357.042 -290.076 -239.723 -290.077 -104.073 -153.055 -239.722 -153.055 -71.8083 GPRESSURE: 2791800 -319.852 -114.461 -240.965 -283.096 -82.0234 -169.604 -107.281 -165.716 -54.362 PRESSAVG: 2791800 -31.7698 10.1378 -16.4312 10.1378 20.6581 14.4329 -16.4312 14.4329 -14.2153 GPRESSAVG: 2791800 -30.7009 10.6349 -17.2929 15 21.2886 17.1074 -15.0463 12.0318 -16.0436 TIMING: 2791800 CPU: 8824.34, 0.00316269/step Wall: 8824.34, 0.00316269/step, 1.93996 hours remaining, 241.304688 MB of memory in use. ENERGY: 2791800 4130.4861 20576.4267 14479.4002 251.7074 -203536.9635 2615.1387 0.0000 0.0000 52039.1458 -109444.6587 299.0697 -161483.8044 -109093.5811 299.4407 -177.6412 -152.0791 759213.4474 -8.4423 -8.4853 PRESSURE: 2792000 246.428 27.752 -32.1328 27.7517 -4.78806 -244.091 -32.1328 -244.091 372.093 GPRESSURE: 2792000 245.739 -72.7519 -73.9758 14.7783 67.4907 -241.519 -28.2838 -250.964 399.968 PRESSAVG: 2792000 -41.6511 -21.0912 -8.76906 -21.0912 38.9129 8.51315 -8.76909 8.51307 -24.0057 GPRESSAVG: 2792000 -42.1827 -22.2816 -7.01055 -22.5722 38.5753 6.16901 -8.63784 11.609 -22.2492 TIMING: 2792000 CPU: 8824.96, 0.00314651/step Wall: 8824.96, 0.00314651/step, 1.92986 hours remaining, 241.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2792000 3946.1247 20423.2506 14425.4575 249.8669 -202924.6069 2461.5728 0.0000 0.0000 51900.7509 -109517.5835 298.2743 -161418.3344 -109150.4547 298.7359 204.5774 237.7328 761131.4389 -8.9146 -8.6189 PRESSURE: 2792200 -200.811 -50.2987 -221.108 -50.2989 -349.328 0.59321 -221.107 0.592485 -107.607 GPRESSURE: 2792200 -252.804 -85.9069 -248.1 11.4581 -305.508 -79.4816 -214.519 64.3734 -29.3604 PRESSAVG: 2792200 53.1713 -9.8998 -5.18605 -9.89981 -8.00978 -9.59957 -5.18606 -9.59962 -10.8806 GPRESSAVG: 2792200 53.1097 -9.01052 -6.95626 -8.66203 -6.70699 -8.03959 -4.99694 -10.5388 -12.175 TIMING: 2792200 CPU: 8825.6, 0.00316984/step Wall: 8825.6, 0.00316984/step, 1.94399 hours remaining, 241.304688 MB of memory in use. ENERGY: 2792200 3917.8833 20546.5769 14399.2427 247.0536 -202733.5283 2254.8591 0.0000 0.0000 51788.9254 -109578.9873 297.6317 -161367.9127 -109211.8108 299.0082 -219.2487 -195.8908 762768.9828 11.4270 11.4092 LDB: ============= START OF LOAD BALANCING ============== 8838 LDB: ============== END OF LOAD BALANCING =============== 8838 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8838 LDB: ============= START OF LOAD BALANCING ============== 8838.32 LDB: Largest compute 7058 load 0.037964 is 19.4% of average load 0.196016 LDB: Average compute 0.004367 is 2.2% of average load 0.196016 LDB: TIME 8838.32 LOAD: AVG 0.196016 MAX 0.215409 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 8838.32 LOAD: AVG 0.196016 MAX 0.215409 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.457 MB LDB: TIME 8838.32 LOAD: AVG 0.196016 MAX 0.215409 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.457 MB LDB: ============== END OF LOAD BALANCING =============== 8838.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8838.33 PRESSURE: 2792400 -372.579 99.0331 198.498 99.0335 -48.4726 -48.9834 198.499 -48.9822 -131.896 GPRESSURE: 2792400 -201.181 61.6823 269.839 -38.9053 -92.4516 48.8164 91.3368 -73.1492 -158.973 PRESSAVG: 2792400 31.7476 -24.8285 -58.4434 -24.8285 1.01189 -18.8146 -58.4435 -18.8145 4.10688 GPRESSAVG: 2792400 33.2955 -24.5756 -56.6752 -26.0556 -0.898567 -18.6529 -57.2676 -20.9273 4.66774 TIMING: 2792400 CPU: 8826.24, 0.0032226/step Wall: 8826.24, 0.0032226/step, 1.97617 hours remaining, 237.640625 MB of memory in use. ENERGY: 2792400 4000.9856 20479.2100 14471.8622 247.5391 -203132.6020 2317.9887 0.0000 0.0000 52137.9324 -109477.0839 299.6374 -161615.0162 -109109.3581 299.0540 -184.3159 -150.8687 761425.2485 12.2888 12.3549 PRESSURE: 2792600 14.8865 -199.944 72.5126 -199.944 142.359 -213.881 72.5124 -213.881 77.6027 GPRESSURE: 2792600 -8.93898 -206.56 145.865 -182.867 205.058 -168.428 -93.7935 -137.694 124.176 PRESSAVG: 2792600 -40.7505 -8.40526 4.97364 -8.40535 21.1299 -4.40087 4.9736 -4.40078 -8.78243 GPRESSAVG: 2792600 -43.5791 -10.8424 1.78886 -7.88586 22.0568 -5.13081 2.22493 -1.5902 -7.07516 TIMING: 2792600 CPU: 8826.87, 0.00315259/step Wall: 8826.87, 0.00315259/step, 1.93306 hours remaining, 237.843750 MB of memory in use. ENERGY: 2792600 4011.0484 20562.8070 14449.7879 243.6181 -203369.3316 2575.5209 0.0000 0.0000 51867.0424 -109659.5069 298.0806 -161526.5493 -109296.0688 298.9321 78.2828 106.7649 761158.1049 -9.4677 -9.5325 PRESSURE: 2792800 351.754 -92.9739 101.153 -92.9733 76.9264 49.081 101.153 49.0811 165.523 GPRESSURE: 2792800 402.288 -181.747 64.5502 -153.958 151.649 120.3 252.24 32.2696 120.074 PRESSAVG: 2792800 4.18293 31.8892 -23.9607 31.8892 2.27058 -49.5417 -23.9607 -49.5417 8.92973 GPRESSAVG: 2792800 5.48004 32.6291 -22.8295 30.7008 2.10792 -50.434 -22.6491 -50.7234 7.55915 TIMING: 2792800 CPU: 8827.51, 0.00316263/step Wall: 8827.51, 0.00316263/step, 1.93905 hours remaining, 237.843750 MB of memory in use. ENERGY: 2792800 3959.0365 20424.8308 14423.3303 247.2695 -203192.3931 2535.6298 0.0000 0.0000 52122.1647 -109480.1315 299.5468 -161602.2962 -109117.0583 298.9756 198.0677 224.6705 761020.1904 5.1277 5.0490 PRESSURE: 2793000 6.6364 -66.494 -36.7613 -66.4941 23.95 4.73574 -36.7615 4.73715 -124.295 GPRESSURE: 2793000 56.771 -68.4807 -0.0610283 -0.894255 84.124 -22.1514 -67.005 -9.44882 -142.447 PRESSAVG: 2793000 20.398 -32.342 -16.1771 -32.342 -2.20131 -41.6836 -16.1771 -41.6835 -3.27987 GPRESSAVG: 2793000 20.5999 -31.9697 -16.9775 -30.8884 -0.655269 -40.6659 -15.238 -41.4849 -5.0431 TIMING: 2793000 CPU: 8828.13, 0.00313342/step Wall: 8828.13, 0.00313342/step, 1.92096 hours remaining, 237.843750 MB of memory in use. ENERGY: 2793000 3978.7397 20363.5458 14414.7204 240.4234 -203152.5551 2340.4326 0.0000 0.0000 52235.0019 -109579.6913 300.1953 -161814.6933 -109216.2538 299.4994 -31.2362 -0.5173 759095.8077 4.9723 4.9672 PRESSURE: 2793200 -299.049 311.707 -43.9186 311.706 54.8826 171.68 -43.9183 171.68 -521.072 GPRESSURE: 2793200 -340.577 307.018 -89.7611 237.42 37.8221 166.962 -122.729 72.5077 -365.692 PRESSAVG: 2793200 -19.7406 -22.693 22.4215 -22.693 65.4578 -27.7957 22.4214 -27.7957 -5.47589 GPRESSAVG: 2793200 -20.0591 -22.6967 22.8327 -23.4581 64.306 -29.201 21.8 -27.4971 -4.23666 TIMING: 2793200 CPU: 8828.76, 0.00314933/step Wall: 8828.76, 0.00314933/step, 1.93054 hours remaining, 237.843750 MB of memory in use. ENERGY: 2793200 3909.6203 20599.3421 14487.0424 226.8842 -203012.2593 2412.8724 0.0000 0.0000 51987.4895 -109389.0084 298.7728 -161376.4979 -109035.8531 298.8021 -255.0796 -222.8158 761008.1926 13.4137 13.3368 PRESSURE: 2793400 33.6935 -169.363 -9.38621 -169.363 -22.4996 239.881 -9.38673 239.88 -268.652 GPRESSURE: 2793400 85.9514 -65.5537 0.66906 -111.013 -10.3615 248.709 44.22 157.234 -245.314 PRESSAVG: 2793400 46.4266 -60.8377 -53.9917 -60.8377 -23.3154 6.79772 -53.9917 6.79778 8.57859 GPRESSAVG: 2793400 46.3404 -61.5892 -52.6831 -59.6331 -24.2352 6.87315 -54.7766 7.68482 9.77961 TIMING: 2793400 CPU: 8829.39, 0.00315061/step Wall: 8829.39, 0.00315061/step, 1.93115 hours remaining, 237.843750 MB of memory in use. ENERGY: 2793400 3951.3386 20356.7309 14340.0193 250.8007 -203059.9964 2433.7550 0.0000 0.0000 52305.5746 -109421.7773 300.6009 -161727.3520 -109055.1947 299.5561 -85.8192 -56.5746 759814.1075 10.5633 10.6283 PRESSURE: 2793600 -60.895 -79.7357 182.972 -79.7353 205.164 -9.76637 182.972 -9.7661 -55.3009 GPRESSURE: 2793600 -20.8584 27.0009 152.622 46.457 279.9 11.8295 142.845 -12.0156 -67.7761 PRESSAVG: 2793600 62.4208 -31.599 7.19962 -31.5989 -65.5118 -1.95127 7.19961 -1.95131 -1.77302 GPRESSAVG: 2793600 63.4183 -31.8662 7.04264 -30.9368 -66.2591 -0.0117216 8.42678 -4.57339 -2.14696 TIMING: 2793600 CPU: 8830.02, 0.0031475/step Wall: 8830.02, 0.0031475/step, 1.92907 hours remaining, 237.843750 MB of memory in use. ENERGY: 2793600 4020.1803 20307.1233 14382.9251 245.3962 -203383.4504 2638.4850 0.0000 0.0000 51836.0159 -109953.3245 297.9023 -161789.3405 -109586.4073 298.2151 29.6560 63.7551 762501.0132 -1.6214 -1.6626 PRESSURE: 2793800 -108.531 126.175 37.6878 126.174 -361.294 -427.815 37.688 -427.815 -125.458 GPRESSURE: 2793800 -102.222 -4.14308 26.2233 206.915 -252.12 -361.61 145.013 -431.858 -149.197 PRESSAVG: 2793800 74.7978 7.72142 22.4955 7.72144 -35.7556 -16.6529 22.4956 -16.6529 -13.1851 GPRESSAVG: 2793800 74.6142 9.46505 22.6808 6.48623 -34.2955 -17.389 21.6833 -16.0715 -14.3575 TIMING: 2793800 CPU: 8830.65, 0.00314659/step Wall: 8830.65, 0.00314659/step, 1.92834 hours remaining, 237.843750 MB of memory in use. ENERGY: 2793800 4036.9429 20382.8703 14360.4823 254.8879 -203470.4977 2426.8466 0.0000 0.0000 51844.4887 -110163.9789 297.9510 -162008.4676 -109801.7681 298.0150 -198.4277 -167.8462 759982.1166 8.6190 8.6537 PRESSURE: 2794000 -267.915 27.1271 -223.546 27.1274 -226.077 42.8192 -223.545 42.8192 -52.2915 GPRESSURE: 2794000 -233.782 -97.1604 -214.504 68.8184 -169.837 133.875 -193.263 10.5921 -75.3428 PRESSAVG: 2794000 37.7276 21.3714 -18.7994 21.3714 -78.5524 -64.2822 -18.7994 -64.2823 0.501163 GPRESSAVG: 2794000 37.8959 21.1563 -17.5096 20.7363 -78.6704 -63.5255 -18.5314 -65.9743 0.0610725 TIMING: 2794000 CPU: 8831.28, 0.00313885/step Wall: 8831.28, 0.00313885/step, 1.92342 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2794000 3925.4012 20476.5447 14510.6204 261.0504 -203885.9827 2813.5229 0.0000 0.0000 51950.9459 -109947.8972 298.5628 -161898.8431 -109588.6238 298.6108 -182.0945 -159.6538 761446.5933 -13.4412 -13.5712 PRESSURE: 2794200 160.836 38.1609 37.3068 38.1616 20.9395 -284.238 37.3061 -284.238 -29.284 GPRESSURE: 2794200 260.456 24.3738 77.8459 84.6109 -26.9812 -298.22 89.3415 -209.992 10.4873 PRESSAVG: 2794200 77.3688 -7.68683 -19.5719 -7.6868 -57.9264 2.75971 -19.5718 2.75968 12.7662 GPRESSAVG: 2794200 77.7571 -8.05827 -20.841 -7.71716 -57.7117 1.38262 -20.3657 4.17214 12.8316 TIMING: 2794200 CPU: 8831.91, 0.00314682/step Wall: 8831.91, 0.00314682/step, 1.92813 hours remaining, 237.843750 MB of memory in use. ENERGY: 2794200 3968.2257 20447.0360 14385.6685 239.5276 -203378.4745 2526.7537 0.0000 0.0000 51782.6783 -110028.5848 297.5958 -161811.2631 -109674.8526 298.2705 50.8305 81.3205 761778.8647 10.7362 10.9590 PRESSURE: 2794400 -68.8606 -31.824 21.3817 -31.8248 74.6585 -54.3528 21.3812 -54.3529 287.383 GPRESSURE: 2794400 -19.1809 125.616 12.5057 60.5494 57.1083 -129.888 -77.6699 -181.702 351.977 PRESSAVG: 2794400 76.0268 3.1382 46.6035 3.13813 -69.5698 -9.75185 46.6036 -9.7518 26.7727 GPRESSAVG: 2794400 76.5438 2.66804 45.6949 4.58427 -69.9453 -8.3568 46.3734 -8.44711 27.2251 TIMING: 2794400 CPU: 8832.54, 0.00314421/step Wall: 8832.54, 0.00314421/step, 1.92635 hours remaining, 237.843750 MB of memory in use. ENERGY: 2794400 3996.4038 20495.6421 14367.9395 244.7523 -203528.7431 2502.2654 0.0000 0.0000 51826.8378 -110094.9021 297.8495 -161921.7399 -109730.0990 298.3112 97.7271 129.9680 760814.8479 11.0766 11.2745 PRESSURE: 2794600 -193.003 46.9255 113.399 46.9255 -177.883 303.666 113.399 303.665 -279.373 GPRESSURE: 2794600 -151.064 -79.1966 16.2424 74.2632 -218.322 284.451 121.3 226.425 -208.383 PRESSAVG: 2794600 26.0805 -14.3331 13.0582 -14.3331 -97.2741 12.8868 13.0581 12.8867 -8.41767 GPRESSAVG: 2794600 25.0243 -13.7573 13.5203 -16.7742 -96.027 11.4533 12.8212 12.1083 -8.80261 TIMING: 2794600 CPU: 8833.17, 0.003152/step Wall: 8833.17, 0.003152/step, 1.93095 hours remaining, 237.843750 MB of memory in use. ENERGY: 2794600 3950.5102 20477.3689 14403.8194 248.5093 -203593.6964 2608.4945 0.0000 0.0000 51770.7873 -110134.2067 297.5274 -161904.9940 -109783.8950 297.4303 -216.7527 -192.5898 761475.2460 -26.5371 -26.6018 PRESSURE: 2794800 -326.181 90.7372 103.608 90.7367 98.2889 -157.231 103.607 -157.232 -27.1014 GPRESSURE: 2794800 -212.589 169.512 -27.99 59.5513 88.4075 -126.001 92.0842 -239.38 -45.392 PRESSAVG: 2794800 2.14357 -9.60831 32.7116 -9.60828 -15.5051 5.42083 32.7115 5.42092 -4.34565 GPRESSAVG: 2794800 2.40247 -10.0792 34.2891 -8.2225 -17.2914 5.27295 31.1987 5.6997 -2.91278 TIMING: 2794800 CPU: 8833.8, 0.00315676/step Wall: 8833.8, 0.00315676/step, 1.93369 hours remaining, 237.843750 MB of memory in use. ENERGY: 2794800 3968.3144 20399.2557 14441.4933 256.0017 -203158.7155 2443.2683 0.0000 0.0000 51818.9081 -109831.4739 297.8040 -161650.3820 -109468.5230 297.9234 -84.9979 -56.5245 761851.3509 -5.9024 -5.9339 PRESSURE: 2795000 -303.856 -102.594 -141.931 -102.593 -228.554 -74.6783 -141.93 -74.6792 -134.814 GPRESSURE: 2795000 -158.165 -153.354 -131.931 -89.8503 -254.743 -75.1035 -43.0413 -55.4535 -176.808 PRESSAVG: 2795000 4.82847 5.10496 -1.64264 5.10499 19.8503 16.6856 -1.64262 16.6856 -6.77408 GPRESSAVG: 2795000 5.01046 4.55043 -0.379051 5.76024 21.2198 18.6439 0.0456454 15.7881 -8.36502 TIMING: 2795000 CPU: 8834.43, 0.00314116/step Wall: 8834.43, 0.00314116/step, 1.92396 hours remaining, 237.843750 MB of memory in use. ENERGY: 2795000 3918.3531 20654.1948 14460.8884 253.3465 -203703.1671 2583.6796 0.0000 0.0000 51981.9713 -109850.7334 298.7411 -161832.7047 -109501.6029 298.7326 -222.4081 -196.5717 759395.1554 5.9682 5.9551 PRESSURE: 2795200 -180.031 244.418 116.979 244.418 -36.8292 115.333 116.979 115.333 -77.9728 GPRESSURE: 2795200 -165.774 169.537 111.557 240.135 87.848 99.0195 -76.4144 5.72831 -127.213 PRESSAVG: 2795200 47.8088 -13.7779 25.0182 -13.7779 -48.9919 -40.286 25.0182 -40.2861 -5.37345 GPRESSAVG: 2795200 47.3691 -12.8485 22.5253 -16.5617 -48.9481 -42.397 25.7924 -38.182 -4.73327 TIMING: 2795200 CPU: 8835.06, 0.00314164/step Wall: 8835.06, 0.00314165/step, 1.92408 hours remaining, 237.843750 MB of memory in use. ENERGY: 2795200 3966.8805 20736.7537 14400.5067 231.2213 -203340.3826 2367.2566 0.0000 0.0000 51832.9604 -109804.8033 297.8847 -161637.7638 -109442.2522 298.5786 -98.2775 -68.3799 759538.6285 -2.1855 -2.1041 PRESSURE: 2795400 -89.1078 249.067 -47.9556 249.067 -263.083 152.82 -47.9562 152.821 -307.376 GPRESSURE: 2795400 73.1984 193.775 -65.9494 204.12 -340.426 222.724 -101.391 198.406 -309.798 PRESSAVG: 2795400 42.523 32.479 11.4319 32.479 -36.4007 28.9161 11.4318 28.9162 17.5887 GPRESSAVG: 2795400 42.4394 30.7861 13.0275 34.9101 -36.9051 29.956 10.8238 27.9196 18.3217 TIMING: 2795400 CPU: 8835.68, 0.00314055/step Wall: 8835.68, 0.00314055/step, 1.92324 hours remaining, 237.843750 MB of memory in use. ENERGY: 2795400 3995.0804 20508.3908 14425.8405 249.0170 -203280.7554 2290.1543 0.0000 0.0000 52078.0785 -109734.1938 299.2934 -161812.2723 -109362.0569 298.5681 -219.8556 -192.3420 759746.1047 7.9037 7.9520 PRESSURE: 2795600 332.097 -85.9272 -13.068 -85.9269 -158.98 -35.9085 -13.0676 -35.909 70.0921 GPRESSURE: 2795600 252.162 -60.6096 3.82259 -255.74 -80.0506 -25.3197 -20.9834 73.7175 180.011 PRESSAVG: 2795600 61.0825 -43.0164 34.0548 -43.0164 -69.3632 25.047 34.0548 25.047 35.5044 GPRESSAVG: 2795600 61.4191 -42.4812 33.7985 -43.6392 -69.5602 24.1696 34.3241 27.4526 35.2627 TIMING: 2795600 CPU: 8836.31, 0.00313656/step Wall: 8836.31, 0.00313656/step, 1.92062 hours remaining, 237.843750 MB of memory in use. ENERGY: 2795600 3927.5767 20430.9347 14299.2635 246.9384 -203430.8327 2692.7282 0.0000 0.0000 52107.5995 -109725.7916 299.4631 -161833.3911 -109358.5077 298.8295 81.0698 117.3741 760356.8190 9.0746 9.0405 PRESSURE: 2795800 94.7356 -247.574 -47.7953 -247.575 80.7924 155.622 -47.795 155.621 -213.515 GPRESSURE: 2795800 195.677 -194.362 -86.9741 -230.323 33.2532 248.63 -63.9866 147.879 -175.637 PRESSAVG: 2795800 43.8925 30.6563 18.5998 30.6564 -61.3659 -1.78003 18.5998 -1.78012 -9.0727 GPRESSAVG: 2795800 43.324 30.7225 19.4978 30.0366 -60.1953 0.0157682 18.3353 -2.34669 -9.24914 TIMING: 2795800 CPU: 8836.94, 0.0031517/step Wall: 8836.94, 0.0031517/step, 1.92972 hours remaining, 237.843750 MB of memory in use. ENERGY: 2795800 3930.4366 20490.9174 14424.2692 243.6650 -203209.8578 2488.7180 0.0000 0.0000 52044.1722 -109587.6793 299.0986 -161631.8516 -109220.6057 298.9269 -12.6622 17.7647 760235.6274 -8.8487 -8.7068 PRESSURE: 2796000 283.833 81.0257 189.603 81.0255 128.692 -39.0909 189.603 -39.0901 593.053 GPRESSURE: 2796000 414.301 77.8428 120.851 -0.891986 134.205 -66.6459 287.765 -45.0886 530.589 PRESSAVG: 2796000 58.4549 5.32158 16.8426 5.32157 -40.09 -21.9279 16.8425 -21.9279 9.81991 GPRESSAVG: 2796000 59.4095 5.76567 14.0466 6.92605 -41.2466 -21.8698 17.4104 -24.9442 9.24693 TIMING: 2796000 CPU: 8837.57, 0.00313445/step Wall: 8837.57, 0.00313445/step, 1.91898 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2796000 3978.6136 20546.0519 14432.2277 249.8877 -203428.3054 2763.9294 0.0000 0.0000 51844.8062 -109612.7889 297.9528 -161457.5951 -109258.2054 299.0014 335.1929 359.6985 760765.4002 9.3949 9.1366 PRESSURE: 2796200 -181.085 -13.1004 -173.988 -13.1003 -69.2793 273.143 -173.988 273.141 401.651 GPRESSURE: 2796200 -87.6506 47.5567 -60.4654 92.7551 -25.0287 243.511 -227.512 297.559 353.638 PRESSAVG: 2796200 59.275 -25.6891 -7.4688 -25.6891 -24.9348 26.1874 -7.46882 26.1874 -7.04011 GPRESSAVG: 2796200 59.3691 -25.486 -6.3862 -26.6708 -23.9858 24.9761 -8.45286 29.3537 -7.86711 TIMING: 2796200 CPU: 8838.2, 0.00314923/step Wall: 8838.2, 0.00314923/step, 1.92785 hours remaining, 237.843750 MB of memory in use. ENERGY: 2796200 3974.3428 20509.6793 14466.0188 269.7895 -203206.3557 2551.3532 0.0000 0.0000 51918.5385 -109516.6336 298.3766 -161435.1721 -109163.5449 299.0897 50.4288 80.3194 759167.9175 9.1000 9.1720 LDB: ============= START OF LOAD BALANCING ============== 8850.6 LDB: ============== END OF LOAD BALANCING =============== 8850.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8850.6 LDB: ============= START OF LOAD BALANCING ============== 8850.92 LDB: Largest compute 7058 load 0.036001 is 18.4% of average load 0.196069 LDB: Average compute 0.004382 is 2.2% of average load 0.196069 LDB: TIME 8850.92 LOAD: AVG 0.196069 MAX 0.218479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 8850.92 LOAD: AVG 0.196069 MAX 0.218479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 8850.92 LOAD: AVG 0.196069 MAX 0.218479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: ============== END OF LOAD BALANCING =============== 8850.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8850.93 PRESSURE: 2796400 -443.481 -27.827 -70.9206 -27.8276 -5.34155 48.3963 -70.9207 48.3964 265.377 GPRESSURE: 2796400 -309.047 -73.9038 -60.7066 90.3816 1.47025 -36.6195 -122.285 128.026 224.617 PRESSAVG: 2796400 36.3124 17.8634 -2.47053 17.8634 -53.8435 -11.3819 -2.4705 -11.3819 -11.505 GPRESSAVG: 2796400 35.4318 14.8878 -1.55648 17.5763 -54.5456 -9.63909 -1.94259 -12.2703 -9.99329 TIMING: 2796400 CPU: 8838.84, 0.00322838/step Wall: 8838.84, 0.00322838/step, 1.97613 hours remaining, 237.437500 MB of memory in use. ENERGY: 2796400 4088.5910 20496.4749 14410.7557 252.6928 -202591.5803 2239.2511 0.0000 0.0000 51624.4407 -109479.3741 296.6864 -161103.8148 -109126.4630 299.3926 -61.1485 -27.6532 761258.1398 -9.6787 -9.7023 PRESSURE: 2796600 -200.201 -119.163 320.552 -119.163 -270.096 -485.134 320.553 -485.134 -206.295 GPRESSURE: 2796600 -164.285 -81.3591 307.628 11.3314 -236.026 -493.393 205.289 -451.633 -184.23 PRESSAVG: 2796600 19.7616 -27.3083 -19.4045 -27.3083 0.21429 -11.1477 -19.4045 -11.1477 -14.2621 GPRESSAVG: 2796600 18.6151 -26.0956 -19.6013 -26.7034 0.194367 -11.853 -21.1437 -12.0115 -13.8377 TIMING: 2796600 CPU: 8839.47, 0.00315313/step Wall: 8839.47, 0.00315313/step, 1.92989 hours remaining, 237.640625 MB of memory in use. ENERGY: 2796600 3990.5439 20720.4339 14419.8814 237.5802 -203083.8278 2344.9177 0.0000 0.0000 51977.5309 -109392.9398 298.7156 -161370.4707 -109041.3177 299.5339 -225.5305 -194.8470 761495.5809 1.9046 1.6573 PRESSURE: 2796800 -198.225 -95.9308 230.754 -95.9306 -85.4997 -70.0113 230.754 -70.0114 41.3216 GPRESSURE: 2796800 -190.758 -94.6116 157.731 -23.8545 -22.8998 -12.4339 184.971 10.0957 38.6971 PRESSAVG: 2796800 43.1797 -50.1583 42.8447 -50.1583 -25.5375 8.9414 42.8447 8.94143 20.5807 GPRESSAVG: 2796800 43.566 -49.547 41.5978 -52.5384 -24.7815 8.97346 45.2419 9.66128 19.3538 TIMING: 2796800 CPU: 8840.11, 0.00315495/step Wall: 8840.11, 0.00315495/step, 1.93083 hours remaining, 237.640625 MB of memory in use. ENERGY: 2796800 3868.0910 20548.1620 14401.5068 252.7156 -203388.2596 2452.0335 0.0000 0.0000 52196.3488 -109669.4019 299.9731 -161865.7507 -109304.7573 299.4757 -80.8009 -58.3203 760837.0674 12.7410 12.7128 PRESSURE: 2797000 -102.862 48.0351 438.969 48.0348 -343.222 -18.978 438.968 -18.9779 -438.191 GPRESSURE: 2797000 -159.626 223.407 350.745 127.949 -199.066 1.49837 398.756 -14.4018 -444.93 PRESSAVG: 2797000 6.89406 -21.8986 -52.8714 -21.8986 27.6892 -4.33636 -52.8714 -4.33632 -16.151 GPRESSAVG: 2797000 5.84305 -20.1094 -51.6431 -19.8717 28.7205 -5.48107 -54.6811 -3.89049 -16.077 TIMING: 2797000 CPU: 8840.73, 0.00314104/step Wall: 8840.73, 0.00314104/step, 1.92214 hours remaining, 237.640625 MB of memory in use. ENERGY: 2797000 3981.1820 20482.7300 14446.5266 237.4948 -202997.2497 1981.3638 0.0000 0.0000 51965.3897 -109902.5629 298.6458 -161867.9526 -109537.4056 298.5051 -294.7584 -267.8742 759816.1652 6.1441 6.1622 PRESSURE: 2797200 -129.527 -91.2967 -34.016 -91.2961 254.723 -274.017 -34.0166 -274.018 -181.069 GPRESSURE: 2797200 -11.3888 -159.763 -42.4663 -111.072 214.775 -277.156 -109.57 -254.732 -169.838 PRESSAVG: 2797200 -18.2918 12.5013 -40.6824 12.5013 11.0035 -38.8471 -40.6824 -38.8471 -3.53408 GPRESSAVG: 2797200 -14.8707 11.2512 -41.0381 10.4349 8.2158 -39.2923 -38.5834 -37.9888 -3.84675 TIMING: 2797200 CPU: 8841.36, 0.00314575/step Wall: 8841.36, 0.00314574/step, 1.92485 hours remaining, 237.640625 MB of memory in use. ENERGY: 2797200 3899.1148 20536.6589 14428.9496 252.3640 -203475.8940 2591.1243 0.0000 0.0000 51692.5539 -110075.1285 297.0778 -161767.6824 -109715.6441 298.3099 -18.6243 11.1828 760446.8407 -3.6075 -3.5006 PRESSURE: 2797400 75.2446 310.172 92.7738 310.172 236.683 123.859 92.7735 123.859 183.287 GPRESSURE: 2797400 134.483 339.318 81.77 314.907 227.462 48.4279 14.0176 159.754 213.552 PRESSAVG: 2797400 -1.92607 12.1047 -25.4373 12.1048 17.4008 32.7404 -25.4373 32.7404 6.22427 GPRESSAVG: 2797400 -3.59834 12.6289 -26.3462 13.5554 18.27 32.4853 -26.5369 31.5832 6.8963 TIMING: 2797400 CPU: 8841.99, 0.00314964/step Wall: 8841.99, 0.00314964/step, 1.92705 hours remaining, 237.640625 MB of memory in use. ENERGY: 2797400 3915.3857 20467.1792 14444.7941 256.0178 -203220.1565 2483.6339 0.0000 0.0000 51788.3419 -109864.8038 297.6283 -161653.1458 -109503.6529 297.8719 165.0718 191.8323 759372.8413 7.2330 7.1893 PRESSURE: 2797600 -185.498 -81.8828 -26.3506 -81.8832 -252.886 55.989 -26.3506 55.9896 -829.081 GPRESSURE: 2797600 -109.623 -65.6353 -49.4747 -89.6602 -261.683 65.5981 4.80541 -88.5988 -780.399 PRESSAVG: 2797600 43.0466 15.4087 10.7272 15.4088 -20.5878 32.0436 10.7272 32.0435 -14.1173 GPRESSAVG: 2797600 42.9598 15.3375 11.9036 15.8584 -21.1044 32.8799 11.3909 32.5444 -13.4918 TIMING: 2797600 CPU: 8842.62, 0.00313745/step Wall: 8842.62, 0.00313745/step, 1.91942 hours remaining, 237.640625 MB of memory in use. ENERGY: 2797600 3952.3716 20507.7755 14455.1696 238.8687 -202974.8959 2152.2492 0.0000 0.0000 51863.1759 -109805.2854 298.0584 -161668.4613 -109445.6523 298.3175 -422.4882 -383.9016 758880.6605 2.7805 2.7879 PRESSURE: 2797800 -159.471 -141.669 158.997 -141.669 -301.496 109.046 158.997 109.046 -261.516 GPRESSURE: 2797800 -188.089 -238.157 116.726 -169.385 -133.683 145.868 198.505 89.1731 -279.523 PRESSAVG: 2797800 30.928 -17.2659 -26.0514 -17.2658 -43.1439 14.0619 -26.0514 14.0619 13.0038 GPRESSAVG: 2797800 31.6623 -19.2021 -26.8637 -16.3428 -41.981 15.6028 -27.4834 13.575 11.6789 TIMING: 2797800 CPU: 8843.25, 0.00315374/step Wall: 8843.25, 0.00315374/step, 1.92921 hours remaining, 237.640625 MB of memory in use. ENERGY: 2797800 3957.8768 20521.5873 14403.6025 238.5378 -202561.9458 1628.3505 0.0000 0.0000 51971.7938 -109840.1971 298.6826 -161811.9908 -109485.7942 298.8249 -240.8277 -200.4316 758291.1444 0.2626 0.4534 PRESSURE: 2798000 395.16 -149.319 42.5828 -149.319 129.969 167.262 42.5829 167.26 168.654 GPRESSURE: 2798000 348.153 -167.311 73.1344 -124.513 171.253 148.03 96.749 187.188 261.98 PRESSAVG: 2798000 12.5046 6.18637 -28.2327 6.18644 -20.0637 40.9037 -28.2327 40.9037 3.4994 GPRESSAVG: 2798000 10.2727 7.27989 -27.0983 5.3307 -19.5036 40.1911 -25.3435 41.5604 5.29364 TIMING: 2798000 CPU: 8843.88, 0.00313928/step Wall: 8843.88, 0.00313928/step, 1.92019 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2798000 3920.8609 20419.1944 14512.6085 255.4069 -203440.8606 2462.9294 0.0000 0.0000 52018.1722 -109851.6883 298.9492 -161869.8605 -109492.6672 298.2408 231.2606 260.4621 758382.4503 -1.3533 -1.3124 PRESSURE: 2798200 194.26 64.727 -56.7555 64.7264 134.418 39.9884 -56.7553 39.9879 376.644 GPRESSURE: 2798200 174.014 64.1031 -76.641 35.9394 222.288 8.52858 -82.4106 -70.9865 393.778 PRESSAVG: 2798200 -13.4353 -15.4685 10.3792 -15.4685 8.69887 50.0339 10.3793 50.0339 -12.6844 GPRESSAVG: 2798200 -11.4175 -15.9548 9.04055 -16.2964 7.27465 49.9666 9.76383 47.8905 -13.807 TIMING: 2798200 CPU: 8844.51, 0.00313992/step Wall: 8844.51, 0.00313992/step, 1.92041 hours remaining, 237.640625 MB of memory in use. ENERGY: 2798200 3911.2967 20534.5578 14416.1342 262.6660 -203101.1648 2441.6025 0.0000 0.0000 51884.2791 -109650.6285 298.1797 -161534.9075 -109291.7570 298.6158 235.1075 263.3602 759889.7891 -5.8069 -5.9833 PRESSURE: 2798400 310.128 -9.21641 -73.2977 -9.21661 -79.2824 195.416 -73.2976 195.415 35.4674 GPRESSURE: 2798400 274.267 -147.201 -48.6924 -30.7979 -22.8948 216.202 -148.339 106.838 99.7194 PRESSAVG: 2798400 30.0757 26.8259 -36.2636 26.8259 -39.3045 -8.24755 -36.2636 -8.24753 -0.589871 GPRESSAVG: 2798400 29.1348 25.6699 -35.6004 27.49 -39.0156 -7.82822 -36.787 -6.39552 -0.252359 TIMING: 2798400 CPU: 8845.13, 0.00312844/step Wall: 8845.13, 0.00312844/step, 1.91321 hours remaining, 237.640625 MB of memory in use. ENERGY: 2798400 3899.0977 20426.4931 14409.4749 225.1426 -203098.8986 2355.8513 0.0000 0.0000 52033.7110 -109749.1280 299.0385 -161782.8390 -109386.1624 298.7912 88.7710 117.0304 760012.3652 -3.2729 -3.3777 PRESSURE: 2798600 -223.633 198.286 -58.5683 198.285 -20.6295 196.072 -58.5678 196.072 -513.883 GPRESSURE: 2798600 -131.431 229.678 -113.183 234.261 -67.7554 151.466 -111.196 270.441 -449.951 PRESSAVG: 2798600 23.8977 47.7388 -24.0812 47.7388 -24.1018 40.2381 -24.0811 40.2381 9.78915 GPRESSAVG: 2798600 23.6613 49.8888 -24.4786 47.2695 -23.4538 39.4345 -22.5327 40.9234 9.1247 TIMING: 2798600 CPU: 8845.76, 0.00313028/step Wall: 8845.76, 0.00313028/step, 1.91416 hours remaining, 237.640625 MB of memory in use. ENERGY: 2798600 3976.4834 20514.9507 14429.7631 227.9096 -203040.7900 2353.1996 0.0000 0.0000 51849.9449 -109688.5388 297.9823 -161538.4836 -109338.4189 298.6551 -252.7152 -216.3792 760564.3983 3.1950 3.1107 PRESSURE: 2798800 420.994 -230.746 -95.7258 -230.746 167.672 185.406 -95.7254 185.406 540.73 GPRESSURE: 2798800 546.054 -149.204 -103.356 -177.16 92.309 267.448 -36.34 52.5179 582.644 PRESSAVG: 2798800 -8.71052 23.6613 15.4426 23.6613 24.3189 31.6577 15.4426 31.6577 -19.6882 GPRESSAVG: 2798800 -8.28849 22.8298 17.366 24.1748 23.3421 31.609 12.8655 30.9671 -19.1677 TIMING: 2798800 CPU: 8846.39, 0.00313103/step Wall: 8846.39, 0.00313103/step, 1.91445 hours remaining, 237.640625 MB of memory in use. ENERGY: 2798800 3915.2638 20450.2403 14538.8919 269.0503 -203390.9636 2710.7593 0.0000 0.0000 51847.0367 -109659.7213 297.9656 -161506.7580 -109294.7591 298.0200 376.4652 407.0027 761688.0621 -1.3599 -1.3713 PRESSURE: 2799000 -200.382 61.9445 272.868 61.9442 -145.927 47.6868 272.867 47.6863 -190.47 GPRESSURE: 2799000 -144.113 61.1744 274.959 17.7711 -107.436 83.048 271.411 138.157 -190.585 PRESSAVG: 2799000 29.6921 -14.6586 -34.9452 -14.6586 -42.9331 32.2926 -34.9452 32.2925 2.08714 GPRESSAVG: 2799000 29.8699 -16.3372 -36.8401 -13.0201 -42.6949 32.818 -31.0811 32.6744 1.80668 TIMING: 2799000 CPU: 8847.02, 0.00315339/step Wall: 8847.02, 0.00315339/step, 1.92795 hours remaining, 237.640625 MB of memory in use. ENERGY: 2799000 3975.3226 20405.6965 14409.1690 239.1014 -202657.0995 2209.5444 0.0000 0.0000 51941.4246 -109476.8412 298.5081 -161418.2657 -109125.6439 298.4689 -178.9264 -147.3781 761621.8791 -3.7180 -3.6728 PRESSURE: 2799200 85.0895 -90.016 109.673 -90.0156 -171.033 89.2196 109.673 89.22 -226.504 GPRESSURE: 2799200 126.172 -95.3265 129.128 -114.342 -86.8604 180.574 10.9316 70.9527 -278.207 PRESSAVG: 2799200 17.1732 18.813 30.6001 18.813 -56.7487 37.1152 30.6002 37.1151 -12.5865 GPRESSAVG: 2799200 17.0389 20.129 29.7322 19.0002 -56.26 37.9957 28.3889 35.7065 -13.0592 TIMING: 2799200 CPU: 8847.65, 0.00314749/step Wall: 8847.65, 0.00314749/step, 1.92417 hours remaining, 237.640625 MB of memory in use. ENERGY: 2799200 3994.9281 20252.6461 14477.1512 247.7891 -202561.0217 2356.7257 0.0000 0.0000 51819.2792 -109412.5023 297.8061 -161231.7815 -109049.7195 298.8414 -104.1493 -79.6316 761290.0876 -17.3874 -17.4268 PRESSURE: 2799400 224.042 -88.8692 122.607 -88.8696 121.662 155.979 122.606 155.98 -442.654 GPRESSURE: 2799400 241.238 -120.76 127.528 -39.0089 47.7467 176.386 91.0028 116.571 -305.935 PRESSAVG: 2799400 -12.8623 -23.2555 10.8332 -23.2555 -6.55832 76.8699 10.8333 76.8698 18.8438 GPRESSAVG: 2799400 -13.0475 -23.5059 12.0459 -25.7343 -6.74421 75.3804 10.6582 78.0485 19.4032 TIMING: 2799400 CPU: 8848.28, 0.00315203/step Wall: 8848.28, 0.00315203/step, 1.92677 hours remaining, 237.640625 MB of memory in use. ENERGY: 2799400 3981.4923 20287.9632 14461.7454 246.4950 -202625.2747 2112.4433 0.0000 0.0000 52215.3970 -109319.7385 300.0826 -161535.1355 -108956.6122 298.9737 -32.3164 -5.6499 761387.7215 -0.1923 -0.1295 PRESSURE: 2799600 40.1311 93.0275 53.1138 93.0282 -24.2175 121.132 53.1144 121.132 -12.2144 GPRESSURE: 2799600 138.941 43.4186 96.5228 110.508 9.37864 134.847 45.7096 187.449 -72.4258 PRESSAVG: 2799600 -7.59249 20.6452 35.3771 20.6452 17.4151 15.887 35.377 15.887 7.97448 GPRESSAVG: 2799600 -7.41892 21.5327 35.7023 21.3246 16.5493 15.8311 34.5788 14.1568 8.27522 TIMING: 2799600 CPU: 8848.91, 0.00314775/step Wall: 8848.91, 0.00314775/step, 1.92398 hours remaining, 237.640625 MB of memory in use. ENERGY: 2799600 3985.2478 20637.1598 14419.9577 226.6972 -202831.4932 2240.6421 0.0000 0.0000 52083.6471 -109238.1416 299.3254 -161321.7887 -108881.1952 298.8725 1.2331 25.2979 762756.6675 5.9324 5.8019 PRESSURE: 2799800 -59.7527 -0.270302 260.368 -0.270228 -245.045 202.785 260.368 202.784 -247.236 GPRESSURE: 2799800 -41.4805 -84.7266 358.825 -3.30032 -284.998 165.029 195.258 225.449 -136.676 PRESSAVG: 2799800 4.17954 -28.6439 39.4327 -28.6439 20.4181 4.85813 39.4326 4.85811 15.4778 GPRESSAVG: 2799800 4.66288 -31.1203 39.3547 -28.4406 20.4071 4.42638 38.5993 5.78015 14.7468 TIMING: 2799800 CPU: 8849.54, 0.00316246/step Wall: 8849.54, 0.00316246/step, 1.93279 hours remaining, 237.640625 MB of memory in use. ENERGY: 2799800 4045.8055 20501.0069 14439.5175 245.1064 -203114.0072 2698.5369 0.0000 0.0000 52142.2617 -109041.7723 299.6623 -161184.0339 -108682.6219 299.8904 -184.0112 -154.3848 762424.8076 13.3585 13.2723 PRESSURE: 2800000 -102.044 361.025 -99.421 361.024 283.826 146.985 -99.4212 146.986 86.9419 GPRESSURE: 2800000 -62.5281 349.803 -104.325 341.785 314.804 45.9027 -66.5305 78.014 99.1839 PRESSAVG: 2800000 56.5031 -17.1805 33.9155 -17.1806 -35.7531 4.57511 33.9155 4.57516 -4.87837 GPRESSAVG: 2800000 56.4936 -15.4792 33.8709 -18.696 -35.6985 3.855 34.5843 4.94396 -4.85226 TIMING: 2800000 CPU: 8850.17, 0.00314539/step Wall: 8850.17, 0.00314539/step, 1.92218 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2800000 3868.8282 20364.4547 14421.8102 247.4190 -202804.8360 2574.0326 0.0000 0.0000 52348.7058 -108979.5855 300.8487 -161328.2912 -108613.7283 300.1696 89.5745 117.1534 761560.0795 5.2906 5.3143 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800200 -302.508 -163.084 107.627 -163.083 -79.6569 -133.408 107.627 -133.408 -596.581 GPRESSURE: 2800200 -284.325 -100.81 108.932 -89.6362 -28.1341 -187.25 124.275 -72.1025 -564.509 PRESSAVG: 2800200 9.27837 5.30488 -1.05822 5.30495 -13.2138 2.16178 -1.05824 2.1618 -5.55981 GPRESSAVG: 2800200 8.09236 5.33472 -2.51898 9.6047 -12.8393 5.32079 -0.260259 0.631596 -4.89076 TIMING: 2800200 CPU: 8850.82, 0.0032617/step Wall: 8850.82, 0.0032617/step, 1.99308 hours remaining, 237.765625 MB of memory in use. ENERGY: 2800200 4050.8061 20278.7639 14442.4171 243.6642 -202491.7907 2301.5665 0.0000 0.0000 52161.6717 -109012.9012 299.7738 -161174.5729 -108651.6209 299.7428 -326.2488 -292.3228 763225.6479 -3.1651 -3.2126 LDB: ============= START OF LOAD BALANCING ============== 8863.22 LDB: ============== END OF LOAD BALANCING =============== 8863.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8863.22 LDB: ============= START OF LOAD BALANCING ============== 8863.53 LDB: Largest compute 7058 load 0.036102 is 18.4% of average load 0.195984 LDB: Average compute 0.004365 is 2.2% of average load 0.195984 LDB: TIME 8863.54 LOAD: AVG 0.195984 MAX 0.217378 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 8863.54 LOAD: AVG 0.195984 MAX 0.217378 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 8863.54 LOAD: AVG 0.195984 MAX 0.217378 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8863.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8863.54 PRESSURE: 2800400 14.5962 140.389 -187.573 140.39 -55.7121 167.385 -187.573 167.384 375.072 GPRESSURE: 2800400 36.8663 37.0719 -179.79 162.468 -40.4805 170.403 -236.572 96.158 425.833 PRESSAVG: 2800400 66.0965 17.3472 23.3245 17.3472 -28.8831 -11.6 23.3244 -11.5999 -3.39685 GPRESSAVG: 2800400 66.8721 16.883 24.8659 16.6103 -29.0636 -12.6445 24.2682 -11.7743 -3.74754 TIMING: 2800400 CPU: 8851.46, 0.00320729/step Wall: 8851.46, 0.00320729/step, 1.95966 hours remaining, 238.414062 MB of memory in use. ENERGY: 2800400 3972.8722 20510.1302 14499.0729 245.6575 -203097.6899 2399.7077 0.0000 0.0000 52518.6979 -108951.5515 301.8257 -161470.2494 -108581.2979 299.9570 111.3188 140.7396 761627.6288 11.2722 11.3536 PRESSURE: 2800600 148.687 -2.52741 -61.3188 -2.52793 89.5069 201.851 -61.3189 201.851 250.772 GPRESSURE: 2800600 146.626 -51.7445 65.2722 -72.6505 163.079 215.078 -115.823 127.1 255.793 PRESSAVG: 2800600 9.66697 8.40543 24.5164 8.40549 -4.38521 15.8198 24.5165 15.8199 2.27852 GPRESSAVG: 2800600 9.68668 9.12603 24.4941 7.3569 -5.03407 14.1173 22.7056 18.4508 2.86652 TIMING: 2800600 CPU: 8852.09, 0.00313271/step Wall: 8852.09, 0.00313271/step, 1.91391 hours remaining, 238.414062 MB of memory in use. ENERGY: 2800600 3897.1772 20664.9935 14469.2415 249.3358 -202883.0179 2311.7970 0.0000 0.0000 52380.1341 -108910.3388 301.0294 -161290.4730 -108552.3575 300.3866 162.9889 188.4992 761740.0486 2.5201 2.5064 PRESSURE: 2800800 -26.7047 49.9201 -92.6095 49.9209 -138.278 -25.9869 -92.6085 -25.9864 -49.6347 GPRESSURE: 2800800 -23.5463 63.882 -90.7253 -41.0413 -106.007 -54.4785 -125.28 29.4801 -5.59195 PRESSAVG: 2800800 73.6591 -20.7264 0.857754 -20.7265 -78.8241 3.97766 0.857721 3.97765 -8.94864 GPRESSAVG: 2800800 73.6096 -20.3214 2.29284 -21.8019 -78.3813 5.73613 1.23048 1.77197 -9.29473 TIMING: 2800800 CPU: 8852.72, 0.00315109/step Wall: 8852.72, 0.00315109/step, 1.92496 hours remaining, 238.414062 MB of memory in use. ENERGY: 2800800 3924.8316 20554.8051 14386.6079 239.3160 -202709.1168 2464.7593 0.0000 0.0000 52307.2754 -108831.5216 300.6106 -161138.7970 -108465.8198 300.0309 -71.5390 -45.0483 763195.0661 -4.7046 -4.6888 PRESSURE: 2801000 -267.818 40.8625 243.358 40.8613 24.3973 49.9122 243.359 49.9126 -483.431 GPRESSURE: 2801000 -239.892 109.497 172.793 92.3951 44.6907 124.903 224.331 60.483 -444.533 PRESSAVG: 2801000 13.8576 -53.341 -41.6776 -53.341 -11.091 20.5932 -41.6775 20.5931 -0.705404 GPRESSAVG: 2801000 12.4181 -51.49 -44.3118 -54.2167 -10.5806 18.6183 -40.7411 23.3731 0.0226213 TIMING: 2801000 CPU: 8853.35, 0.00316735/step Wall: 8853.35, 0.00316735/step, 1.93472 hours remaining, 238.414062 MB of memory in use. ENERGY: 2801000 4010.5596 20611.7231 14475.8871 239.6629 -202498.1704 2303.4122 0.0000 0.0000 52035.9812 -108820.9442 299.0515 -160856.9254 -108462.1944 299.7753 -242.2838 -213.2449 763481.6590 0.6871 0.6201 PRESSURE: 2801200 224.168 41.6378 -247.646 41.6379 172.247 -30.3535 -247.647 -30.3539 331.165 GPRESSURE: 2801200 263.308 132.612 -137.832 15.0319 225.751 -52.0501 -134.72 -29.969 308.004 PRESSAVG: 2801200 -2.56682 -7.20419 -3.72094 -7.20416 8.98462 25.8795 -3.72093 25.8794 4.97416 GPRESSAVG: 2801200 -1.67725 -8.64735 -3.22653 -6.10975 7.69408 25.1302 -4.80093 24.2203 4.87797 TIMING: 2801200 CPU: 8853.98, 0.00316222/step Wall: 8853.98, 0.00316222/step, 1.93142 hours remaining, 238.414062 MB of memory in use. ENERGY: 2801200 3955.2928 20447.6544 14527.3171 248.1258 -202751.7911 2657.6057 0.0000 0.0000 52101.4487 -108814.3466 299.4277 -160915.7953 -108455.0279 300.0658 242.5269 265.6873 762467.4391 3.7973 3.6316 PRESSURE: 2801400 94.1605 -61.0368 52.1371 -61.0361 -329.304 120.652 52.1373 120.651 106.083 GPRESSURE: 2801400 96.9653 -48.4362 -29.9486 -20.6273 -256.97 124.512 75.7219 120.924 108.419 PRESSAVG: 2801400 4.05098 -61.0449 -36.0202 -61.0448 -7.53584 61.514 -36.0202 61.514 -12.2952 GPRESSAVG: 2801400 3.67118 -60.0396 -37.3958 -60.0482 -6.64567 63.8192 -37.5324 61.2264 -12.7174 TIMING: 2801400 CPU: 8854.62, 0.00316949/step Wall: 8854.62, 0.00316949/step, 1.93568 hours remaining, 238.414062 MB of memory in use. ENERGY: 2801400 3965.6897 20590.9267 14424.5730 255.6610 -202940.4920 2395.4163 0.0000 0.0000 52237.4494 -109070.7758 300.2093 -161308.2252 -108702.0800 300.0918 -43.0203 -17.1950 761968.7720 -5.2600 -5.2306 PRESSURE: 2801600 288.071 -8.47433 60.0056 -8.47422 196.676 33.321 60.0057 33.321 265.845 GPRESSURE: 2801600 306.65 -214.638 7.52454 25.7481 271.815 6.07596 17.8997 -53.1777 268.82 PRESSAVG: 2801600 27.3496 2.88263 -15.4205 2.88259 -36.1458 -7.64379 -15.4205 -7.64379 14.45 GPRESSAVG: 2801600 28.3239 0.503478 -14.287 4.09431 -36.4048 -7.31938 -13.9524 -5.48223 14.0734 TIMING: 2801600 CPU: 8855.25, 0.00315835/step Wall: 8855.25, 0.00315835/step, 1.9287 hours remaining, 238.414062 MB of memory in use. ENERGY: 2801600 3938.9263 20392.2754 14530.5203 247.4443 -202797.4127 2415.2083 0.0000 0.0000 51946.5547 -109326.4834 298.5376 -161273.0381 -108968.8521 299.8915 250.1970 282.4282 761076.6445 1.8846 1.9975 PRESSURE: 2801800 -97.215 -73.0818 16.2177 -73.0812 21.1072 94.2313 16.2169 94.2307 -146.695 GPRESSURE: 2801800 -15.8618 -93.5307 -74.1564 -51.5593 23.7028 213.896 152.302 92.8858 -133.415 PRESSAVG: 2801800 12.8802 -2.22731 -21.977 -2.22732 -31.7987 28.481 -21.977 28.481 -10.8002 GPRESSAVG: 2801800 11.6465 -2.10424 -21.7446 -3.19395 -32.4025 27.6891 -22.6175 26.1745 -9.17237 TIMING: 2801800 CPU: 8855.88, 0.00314968/step Wall: 8855.88, 0.00314968/step, 1.92323 hours remaining, 238.414062 MB of memory in use. ENERGY: 2801800 3947.9081 20492.2139 14411.2061 243.0921 -202846.6549 2190.5132 0.0000 0.0000 52138.8994 -109422.8221 299.6430 -161561.7215 -109060.3014 299.1549 -74.2677 -41.8580 761610.1297 -9.9062 -9.9761 PRESSURE: 2802000 -141.393 -28.1882 -182.919 -28.1878 335.399 -194.964 -182.919 -194.965 228.777 GPRESSURE: 2802000 -10.3701 -7.737 -41.3808 155.658 251.479 -161.587 -148.606 -157.538 265.829 PRESSAVG: 2802000 55.3154 8.85898 35.1074 8.85901 4.27031 4.78733 35.1075 4.78725 -30.4007 GPRESSAVG: 2802000 56.3035 10.7651 34.903 8.36936 4.86372 2.77365 36.7957 6.26391 -32.1252 TIMING: 2802000 CPU: 8856.51, 0.00315302/step Wall: 8856.51, 0.00315302/step, 1.92509 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2802000 3903.9756 20556.2352 14471.3483 247.9941 -202992.3649 2475.7626 0.0000 0.0000 51920.5894 -109416.4598 298.3883 -161337.0492 -109066.6544 298.9897 140.9277 168.9793 761180.6062 9.7284 9.6806 PRESSURE: 2802200 86.1124 -56.2713 6.65945 -56.2723 -319.523 -245.712 6.66001 -245.712 -73.1492 GPRESSURE: 2802200 93.751 34.3438 -94.9865 -58.0837 -251.358 -263.289 53.95 -206.656 -48.5365 PRESSAVG: 2802200 16.3014 27.4397 31.2703 27.4398 -32.7987 -6.99356 31.2704 -6.99361 -1.68906 GPRESSAVG: 2802200 16.0904 28.8783 31.1616 26.8721 -33.5313 -4.45987 30.0489 -7.30955 -0.342327 TIMING: 2802200 CPU: 8857.14, 0.00315682/step Wall: 8857.14, 0.00315682/step, 1.92724 hours remaining, 238.414062 MB of memory in use. ENERGY: 2802200 4022.6789 20567.4378 14441.7053 238.6707 -202954.3435 2332.5039 0.0000 0.0000 51797.4686 -109553.8781 297.6808 -161351.3467 -109181.4298 298.9940 -102.1866 -68.7144 761650.8649 -6.0621 -5.9277 PRESSURE: 2802400 -147.468 -4.39841 279.557 -4.3991 80.9088 356.406 279.557 356.406 291.358 GPRESSURE: 2802400 -198.962 -96.9603 304.935 -80.1511 182.079 317.259 357.946 363.282 328.52 PRESSAVG: 2802400 -11.4377 -0.668603 36.6039 -0.668553 -8.16182 -29.4837 36.6039 -29.4837 -13.9645 GPRESSAVG: 2802400 -11.0437 -5.53992 35.9146 -0.21904 -8.97367 -30.5618 37.9639 -29.131 -14.1391 TIMING: 2802400 CPU: 8857.77, 0.00314716/step Wall: 8857.77, 0.00314716/step, 1.92116 hours remaining, 238.414062 MB of memory in use. ENERGY: 2802400 3990.9469 20605.0242 14421.4897 225.7084 -203172.0390 2493.5143 0.0000 0.0000 51853.4842 -109581.8714 298.0027 -161435.3556 -109221.3213 298.1056 74.9329 103.8789 761624.0465 -11.1880 -11.3855 PRESSURE: 2802600 -93.3422 -88.8094 -308.803 -88.8092 -49.0734 15.7243 -308.803 15.723 125.37 GPRESSURE: 2802600 -37.8928 -41.9089 -269.6 -35.3242 7.60936 40.7542 -399.49 100.013 73.8353 PRESSAVG: 2802600 60.9899 -7.56262 -15.1789 -7.56258 -28.7041 65.3794 -15.179 65.3793 27.3139 GPRESSAVG: 2802600 60.0907 -5.84055 -15.2923 -6.30896 -28.2498 66.0297 -14.9988 65.246 27.6507 TIMING: 2802600 CPU: 8858.4, 0.00315027/step Wall: 8858.4, 0.00315027/step, 1.92289 hours remaining, 238.414062 MB of memory in use. ENERGY: 2802600 4005.6019 20469.6104 14398.2886 259.7465 -203254.5339 2498.7712 0.0000 0.0000 52005.2151 -109617.3001 298.8747 -161622.5152 -109259.1860 298.7588 -5.6818 14.5173 762082.7040 19.8666 19.8305 PRESSURE: 2802800 234.975 -108.056 -336.143 -108.055 175.709 8.15259 -336.141 8.15079 -99.8056 GPRESSURE: 2802800 279.668 -166.237 -312.735 -151.129 223.02 -10.2423 -302.703 -23.7367 -99.2068 PRESSAVG: 2802800 54.7281 -19.9267 -11.7224 -19.9267 -12.8003 51.381 -11.7225 51.381 14.0275 GPRESSAVG: 2802800 55.1684 -18.7508 -11.7817 -21.6919 -11.2006 51.7947 -12.7836 49.9062 12.1646 TIMING: 2802800 CPU: 8859.03, 0.00315049/step Wall: 8859.03, 0.00315049/step, 1.92285 hours remaining, 238.414062 MB of memory in use. ENERGY: 2802800 3976.0988 20667.1432 14490.6703 236.2491 -203637.5559 2646.9153 0.0000 0.0000 52006.3909 -109614.0882 298.8814 -161620.4791 -109254.9134 298.8440 103.6259 134.4940 761380.3026 18.6518 18.7108 PRESSURE: 2803000 541.862 -9.82956 212.96 -9.82948 77.7703 -153.192 212.96 -153.191 -13.8572 GPRESSURE: 2803000 551.557 62.5083 150.178 31.7941 113.731 -144.434 258.255 -66.4805 31.623 PRESSAVG: 2803000 56.925 26.7323 -10.8969 26.7323 -64.8729 8.32557 -10.8968 8.32558 -2.24748 GPRESSAVG: 2803000 57.7976 27.0751 -11.5656 27.8117 -67.5755 7.7725 -9.66094 9.51787 -0.16606 TIMING: 2803000 CPU: 8859.66, 0.00313276/step Wall: 8859.66, 0.00313276/step, 1.91185 hours remaining, 238.414062 MB of memory in use. ENERGY: 2803000 3939.3598 20538.3888 14459.6910 244.8531 -203431.2375 2720.9302 0.0000 0.0000 52052.6386 -109475.3761 299.1472 -161528.0146 -109121.9185 298.9719 201.9251 232.3037 761112.2941 -3.3984 -3.3146 PRESSURE: 2803200 -111.705 101.079 53.2065 101.078 172.374 44.0458 53.2066 44.046 218.286 GPRESSURE: 2803200 -72.9835 149.397 21.7738 133.69 171.551 28.6599 48.8955 137.868 282.469 PRESSAVG: 2803200 -18.8395 58.978 7.14457 58.978 -32.9388 69.4049 7.1446 69.4049 10.5 GPRESSAVG: 2803200 -19.3528 58.8852 7.66528 58.7278 -31.3446 69.1852 5.35118 67.8873 10.1704 TIMING: 2803200 CPU: 8860.29, 0.00315094/step Wall: 8860.29, 0.00315094/step, 1.92278 hours remaining, 238.414062 MB of memory in use. ENERGY: 2803200 3952.9268 20545.3015 14458.7102 242.6518 -203784.6275 2791.1367 0.0000 0.0000 52267.3298 -109526.5707 300.3811 -161793.9006 -109166.8095 299.2197 92.9851 127.0125 761695.5093 -13.7595 -13.5090 PRESSURE: 2803400 -233.079 -102.038 182.56 -102.038 -653.62 1.09912 182.56 1.09986 -333.829 GPRESSURE: 2803400 -214.114 -115.419 142.953 -34.1768 -589.447 -42.9894 116.358 51.8493 -333.491 PRESSAVG: 2803400 -32.5319 -66.4078 -31.549 -66.4078 27.6879 46.4384 -31.549 46.4385 1.46908 GPRESSAVG: 2803400 -32.4148 -67.2544 -30.4731 -65.9635 27.2423 45.2951 -31.5753 48.9077 1.58662 TIMING: 2803400 CPU: 8860.91, 0.00313704/step Wall: 8860.91, 0.00313703/step, 1.91411 hours remaining, 238.414062 MB of memory in use. ENERGY: 2803400 3952.6739 20443.9910 14383.4594 247.2400 -203081.2835 2340.8791 0.0000 0.0000 52011.0024 -109702.0376 298.9079 -161713.0400 -109329.7114 299.2625 -406.8424 -379.0176 762316.8728 -1.1250 -1.1953 PRESSURE: 2803600 -342.842 -74.4718 237.494 -74.4711 -4.79583 23.0342 237.494 23.0338 -212.311 GPRESSURE: 2803600 -291.962 -127.943 284.334 -30.63 -37.2169 9.27066 213.913 -74.1419 -165.223 PRESSAVG: 2803600 -39.3104 -92.9795 -53.5833 -92.9795 37.0651 3.51686 -53.5833 3.5169 -26.6137 GPRESSAVG: 2803600 -40.0478 -93.8327 -53.6853 -93.6755 37.5404 4.46066 -51.1093 -0.527479 -26.377 TIMING: 2803600 CPU: 8861.54, 0.00314428/step Wall: 8861.54, 0.00314428/step, 1.91836 hours remaining, 238.414062 MB of memory in use. ENERGY: 2803600 4110.2177 20644.4607 14415.0008 244.7116 -203506.5679 2563.5861 0.0000 0.0000 51925.3072 -109603.2838 298.4155 -161528.5910 -109241.3533 298.8475 -186.6496 -164.8008 762586.3411 -9.6197 -9.6281 PRESSURE: 2803800 -286.277 80.1318 -43.3261 80.1323 -7.69153 -113.565 -43.3259 -113.564 -46.4799 GPRESSURE: 2803800 -226.671 118.214 -19.6772 106.171 32.6117 -163.913 15.2183 -124.666 -46.3841 PRESSAVG: 2803800 5.74455 -24.3355 -8.08832 -24.3355 -27.6368 -3.92892 -8.08826 -3.92884 30.676 GPRESSAVG: 2803800 6.1816 -23.1241 -6.82245 -23.7456 -27.2901 -4.41796 -9.76266 -3.71359 29.888 TIMING: 2803800 CPU: 8862.17, 0.00315694/step Wall: 8862.17, 0.00315694/step, 1.92591 hours remaining, 238.414062 MB of memory in use. ENERGY: 2803800 3985.9259 20579.7546 14470.0232 257.6843 -203065.4524 2361.5838 0.0000 0.0000 51811.8757 -109598.6048 297.7636 -161410.4806 -109242.9745 299.3268 -113.4829 -80.1477 762183.2720 2.9279 2.9265 PRESSURE: 2804000 -97.7655 -109.711 -71.2671 -109.711 -206.172 239.222 -71.2683 239.222 130.164 GPRESSURE: 2804000 -95.9913 -112.513 32.6984 -140.113 -122.416 235.104 -52.3517 5.66705 129.884 PRESSAVG: 2804000 54.03 -4.2571 -52.4616 -4.25711 -34.9823 -32.1286 -52.4616 -32.1286 -4.36737 GPRESSAVG: 2804000 54.5077 -5.40428 -53.79 -5.15426 -35.6772 -31.1546 -51.5812 -30.4963 -4.47209 TIMING: 2804000 CPU: 8862.8, 0.00314674/step Wall: 8862.8, 0.00314674/step, 1.91951 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2804000 4045.7637 20488.1351 14455.0687 236.3290 -203312.5412 2361.3334 0.0000 0.0000 52018.2398 -109707.6715 298.9495 -161725.9113 -109344.2204 298.8253 -57.9245 -29.5080 761533.2467 4.8934 4.7861 PRESSURE: 2804200 251.028 68.2054 150.818 68.2049 0.198267 -47.5099 150.818 -47.5101 -350.819 GPRESSURE: 2804200 268.888 41.9697 76.9404 130.362 35.0325 12.592 189.378 -56.2525 -306.085 PRESSAVG: 2804200 41.7375 31.0997 -16.9587 31.0997 -104.254 -37.7834 -16.9588 -37.7833 -19.3835 GPRESSAVG: 2804200 41.7587 32.7549 -15.1654 32.7667 -103.755 -39.272 -19.0187 -37.8191 -19.3848 TIMING: 2804200 CPU: 8863.43, 0.00312466/step Wall: 8863.43, 0.00312466/step, 1.90587 hours remaining, 238.414062 MB of memory in use. ENERGY: 2804200 3880.5013 20489.4497 14483.2519 241.2490 -203699.2135 2764.5740 0.0000 0.0000 51967.4062 -109872.7814 298.6574 -161840.1877 -109507.9656 298.6961 -33.1975 -0.7217 760924.1236 -27.3001 -27.1269 LDB: ============= START OF LOAD BALANCING ============== 8875.83 LDB: ============== END OF LOAD BALANCING =============== 8875.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8875.83 LDB: ============= START OF LOAD BALANCING ============== 8876.14 LDB: Largest compute 7059 load 0.035814 is 18.3% of average load 0.196109 LDB: Average compute 0.004370 is 2.2% of average load 0.196109 LDB: TIME 8876.15 LOAD: AVG 0.196109 MAX 0.217727 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 8876.15 LOAD: AVG 0.196109 MAX 0.217727 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 8876.15 LOAD: AVG 0.196109 MAX 0.217727 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 8876.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8876.15 PRESSURE: 2804400 -164.806 -84.5326 29.8207 -84.5329 -178.446 -101.452 29.822 -101.452 -51.9351 GPRESSURE: 2804400 -165.852 -138.732 109.032 -204.099 -111.198 -119.37 -4.53518 -31.5084 -39.1225 PRESSAVG: 2804400 72.5044 -36.919 -5.36825 -36.9191 -55.6509 7.18158 -5.36828 7.1815 10.3591 GPRESSAVG: 2804400 72.0897 -40.2989 -6.97782 -35.8608 -56.2665 8.644 -5.04799 5.81054 11.5028 TIMING: 2804400 CPU: 8864.07, 0.00320918/step Wall: 8864.07, 0.00320918/step, 1.95725 hours remaining, 239.386719 MB of memory in use. ENERGY: 2804400 4036.6631 20484.7380 14484.9788 238.9425 -203688.1711 2701.3140 0.0000 0.0000 51853.2875 -109888.2471 298.0016 -161741.5347 -109515.6864 298.4032 -131.7290 -105.3908 761671.3494 9.0709 9.1087 PRESSURE: 2804600 23.2979 -21.7825 23.1275 -21.7833 -409.547 -187.214 23.1272 -187.214 237.819 GPRESSURE: 2804600 73.8839 61.8247 39.8691 28.3734 -312.526 -218.456 -1.93612 -185.822 166.857 PRESSAVG: 2804600 92.5935 -12.6882 20.6176 -12.6882 -124.227 -6.53905 20.6176 -6.53903 24.6326 GPRESSAVG: 2804600 92.9567 -11.4874 21.4517 -15.7469 -123.267 -7.65389 21.1142 -5.16648 23.3912 TIMING: 2804600 CPU: 8864.7, 0.00314404/step Wall: 8864.7, 0.00314404/step, 1.91734 hours remaining, 239.589844 MB of memory in use. ENERGY: 2804600 3984.7887 20484.7979 14518.2346 255.0324 -203298.1970 2497.1240 0.0000 0.0000 51615.5050 -109942.7142 296.6350 -161558.2193 -109578.7778 297.8490 -49.4767 -23.9283 761992.1076 -2.3338 -2.3063 PRESSURE: 2804800 393.951 -152.209 181.906 -152.21 175.089 -48.5023 181.906 -48.5023 323.768 GPRESSURE: 2804800 417.542 -182.642 241.637 -188.057 221.858 -81.62 125.269 -13.3454 350.548 PRESSAVG: 2804800 64.7688 20 -6.09519 20 -67.9667 -32.8772 -6.09525 -32.8772 -10.4777 GPRESSAVG: 2804800 64.2628 20.8944 -6.07066 20.4611 -66.9022 -33.8772 -7.24848 -32.2204 -10.232 TIMING: 2804800 CPU: 8865.33, 0.00315788/step Wall: 8865.33, 0.00315788/step, 1.92561 hours remaining, 239.589844 MB of memory in use. ENERGY: 2804800 4018.3212 20448.0114 14454.4992 254.4468 -203990.1019 2927.2674 0.0000 0.0000 51998.9376 -109888.6183 298.8386 -161887.5559 -109531.3118 297.8884 297.6025 329.9826 759004.1762 -4.5585 -4.2905 PRESSURE: 2805000 -113.478 -81.6043 3.04955 -81.6042 -222.671 258.242 3.04994 258.242 -192.813 GPRESSURE: 2805000 -86.2026 -65.7516 19.6241 -2.36326 -187.889 215.356 83.445 286.675 -150.355 PRESSAVG: 2805000 43.994 -14.7162 9.55645 -14.7162 -7.86665 22.9435 9.55644 22.9435 3.05108 GPRESSAVG: 2805000 44.1048 -14.9945 8.85138 -12.7437 -8.08774 23.5443 11.4349 22.9521 2.85388 TIMING: 2805000 CPU: 8865.96, 0.00314224/step Wall: 8865.96, 0.00314224/step, 1.91589 hours remaining, 239.589844 MB of memory in use. ENERGY: 2805000 3925.7304 20485.7384 14475.0253 245.6849 -203275.6880 2467.1748 0.0000 0.0000 51876.5671 -109799.7670 298.1353 -161676.3342 -109436.3960 298.1220 -176.3207 -141.4823 760359.2218 13.0595 12.9570 PRESSURE: 2805200 -42.3469 -96.2501 -49.396 -96.2497 23.2731 -13.6672 -49.3963 -13.6672 63.3853 GPRESSURE: 2805200 89.1347 -108.805 -145.484 -47.1804 97.7017 6.98133 80.9237 41.236 -34.7441 PRESSAVG: 2805200 24.8801 -28.6272 58.4736 -28.6272 11.6499 -21.1376 58.4736 -21.1376 -16.9546 GPRESSAVG: 2805200 25.3838 -29.3747 57.842 -31.5025 10.7843 -19.4661 58.8051 -22.4218 -17.0003 TIMING: 2805200 CPU: 8866.59, 0.00314697/step Wall: 8866.59, 0.00314697/step, 1.9186 hours remaining, 239.589844 MB of memory in use. ENERGY: 2805200 3986.2328 20515.9956 14417.3111 236.2695 -203458.1385 2640.0119 0.0000 0.0000 52020.6989 -109641.6187 298.9637 -161662.3176 -109281.7000 298.4996 14.7705 50.6974 761901.3441 6.5251 6.3893 PRESSURE: 2805400 -0.312943 -45.6888 -177.961 -45.6885 -329.58 51.1456 -177.959 51.1463 381.172 GPRESSURE: 2805400 17.2153 -111.415 -153.885 26.5436 -241.534 26.9619 -179.942 83.0116 326.071 PRESSAVG: 2805400 -6.17461 30.5488 -35.1308 30.5488 8.59186 -12.4036 -35.1308 -12.4036 21.9116 GPRESSAVG: 2805400 -6.33971 30.2499 -34.5853 31.4626 9.14864 -13.4293 -35.3715 -11.2211 21.7129 TIMING: 2805400 CPU: 8867.22, 0.00315284/step Wall: 8867.22, 0.00315284/step, 1.922 hours remaining, 239.589844 MB of memory in use. ENERGY: 2805400 4013.0204 20565.2144 14493.4965 232.4379 -203599.3797 2651.7097 0.0000 0.0000 51970.0817 -109673.4192 298.6728 -161643.5008 -109313.7782 298.6755 17.0932 33.9173 762228.4134 8.1096 8.1740 PRESSURE: 2805600 -239.471 43.0532 11.2002 43.0531 -153.496 23.9366 11.2005 23.9362 125.517 GPRESSURE: 2805600 -221.032 59.4931 -86.4372 -33.9961 -70.7498 -28.2899 18.1465 -49.5476 116.442 PRESSAVG: 2805600 64.2099 -3.50586 5.4095 -3.50588 -30.1355 3.17611 5.40961 3.17616 3.38674 GPRESSAVG: 2805600 63.3624 -3.40636 5.02978 -2.7836 -29.7643 4.63853 5.13647 1.21672 3.99398 TIMING: 2805600 CPU: 8867.85, 0.00314716/step Wall: 8867.85, 0.00314715/step, 1.91837 hours remaining, 239.589844 MB of memory in use. ENERGY: 2805600 4067.8108 20556.4318 14414.6907 241.7887 -203901.2799 2733.2093 0.0000 0.0000 52236.0491 -109651.2996 300.2013 -161887.3487 -109287.3055 298.6006 -89.1499 -58.4467 761064.3965 12.4871 12.5307 PRESSURE: 2805800 219.273 224.402 -74.4379 224.402 -275.746 -196.689 -74.4375 -196.688 -168.926 GPRESSURE: 2805800 186.858 293.881 -100.415 218.462 -199.321 -194.389 -140.595 -168.821 -140.598 PRESSAVG: 2805800 4.35597 34.2384 -58.7966 34.2384 19.1105 -19.328 -58.7965 -19.328 -0.0247807 GPRESSAVG: 2805800 4.6971 36.2488 -57.4723 32.6972 18.5551 -20.7345 -61.2242 -17.3886 0.636252 TIMING: 2805800 CPU: 8868.48, 0.00315484/step Wall: 8868.48, 0.00315484/step, 1.92288 hours remaining, 239.589844 MB of memory in use. ENERGY: 2805800 4002.1990 20492.5305 14439.3307 261.4443 -203041.4736 2284.0863 0.0000 0.0000 51811.7759 -109750.1068 297.7630 -161561.8827 -109390.6306 298.6127 -75.1328 -51.0207 761665.5977 7.8139 7.9628 PRESSURE: 2806000 28.9562 48.9711 5.05977 48.9715 32.2442 -147.919 5.05986 -147.919 245.077 GPRESSURE: 2806000 41.0331 24.3212 36.944 32.0667 106.124 -159.961 102.985 -119.32 222.876 PRESSAVG: 2806000 47.3752 39.485 14.7514 39.485 -44.0079 14.904 14.7514 14.904 7.07982 GPRESSAVG: 2806000 47.8555 39.0767 12.7716 40.1274 -42.878 14.6757 16.0656 14.7883 5.07286 TIMING: 2806000 CPU: 8869.11, 0.00315774/step Wall: 8869.11, 0.00315774/step, 1.92447 hours remaining, 239.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2806000 3903.2341 20674.8935 14420.1937 244.2689 -203444.7557 2564.6638 0.0000 0.0000 51977.6811 -109659.8207 298.7164 -161637.5018 -109302.4792 298.8275 102.0924 123.3444 759657.9053 3.4824 3.3501 PRESSURE: 2806200 -57.1618 -120.761 -92.9406 -120.761 -442.372 -61.049 -92.9401 -61.0482 99.1354 GPRESSURE: 2806200 52.3783 -114.679 -81.5958 -126.541 -384.581 -78.0244 -120.962 35.9008 41.3992 PRESSAVG: 2806200 54.97 -28.2326 -52.8958 -28.2326 -7.28504 -3.58675 -52.8958 -3.58672 -19.1659 GPRESSAVG: 2806200 55.2697 -26.8759 -53.1897 -28.1277 -8.89876 -4.50471 -52.4015 -4.03801 -17.9298 TIMING: 2806200 CPU: 8869.74, 0.00316376/step Wall: 8869.74, 0.00316376/step, 1.92796 hours remaining, 239.589844 MB of memory in use. ENERGY: 2806200 4094.5153 20436.2659 14416.8658 235.0619 -203501.0611 2642.9560 0.0000 0.0000 52011.7258 -109663.6705 298.9121 -161675.3962 -109306.0948 299.0227 -133.4660 -96.9344 762758.4016 9.5064 9.4804 PRESSURE: 2806400 -197.299 -69.8035 -148.908 -69.8028 -52.0618 56.9735 -148.909 56.9728 -297.716 GPRESSURE: 2806400 -144.717 -3.00089 -100.027 -83.6985 -19.6913 98.8345 -203.012 72.8493 -294.252 PRESSAVG: 2806400 17.3256 -12.3349 14.9406 -12.3349 -23.9367 -42.3105 14.9406 -42.3106 -3.67756 GPRESSAVG: 2806400 16.415 -12.5745 17.1885 -12.2745 -22.6571 -39.5813 14.9664 -43.3636 -3.90816 TIMING: 2806400 CPU: 8870.38, 0.00315758/step Wall: 8870.38, 0.00315758/step, 1.92402 hours remaining, 239.589844 MB of memory in use. ENERGY: 2806400 3940.9702 20539.6122 14416.8494 241.2864 -203435.3282 2624.6362 0.0000 0.0000 51936.4263 -109735.5474 298.4794 -161671.9738 -109377.8119 298.2606 -182.3591 -152.8869 762232.8569 -3.4296 -3.3834 PRESSURE: 2806600 -291.14 -103.116 9.98712 -103.115 -194.196 -56.8883 9.98681 -56.8884 -6.7785 GPRESSURE: 2806600 -205.249 -89.9783 -42.985 -248.351 -237.35 -117.091 127.285 -49.4379 20.9512 PRESSAVG: 2806600 -6.20769 -21.6892 -36.8717 -21.6892 0.604678 -39.3971 -36.8718 -39.3971 10.1689 GPRESSAVG: 2806600 -6.1109 -22.4174 -37.4483 -21.6853 0.85447 -39.6183 -37.9551 -38.9285 10.0306 TIMING: 2806600 CPU: 8871.01, 0.00316103/step Wall: 8871.01, 0.00316103/step, 1.92594 hours remaining, 239.589844 MB of memory in use. ENERGY: 2806600 3941.5826 20390.6208 14460.0527 250.8579 -203248.8341 2231.9912 0.0000 0.0000 52140.8845 -109832.8443 299.6544 -161973.7288 -109462.2366 298.4284 -164.0379 -140.5495 762162.8799 1.5220 1.5914 PRESSURE: 2806800 -63.7352 -101.262 129.147 -101.262 171.195 -0.247846 129.146 -0.246717 -86.5504 GPRESSURE: 2806800 -79.7855 -64.9958 228.017 -111.922 187.124 -44.9041 121.315 64.8393 -6.18936 PRESSAVG: 2806800 -0.730135 -86.818 31.5076 -86.8181 12.8196 -21.2254 31.5077 -21.2254 -1.91019 GPRESSAVG: 2806800 -0.821637 -86.706 31.3732 -86.0178 12.3865 -23.8139 30.6247 -21.8149 -1.58044 TIMING: 2806800 CPU: 8871.64, 0.00316221/step Wall: 8871.64, 0.00316221/step, 1.92649 hours remaining, 239.589844 MB of memory in use. ENERGY: 2806800 3952.5780 20430.2887 14473.9435 252.6601 -203157.4979 2244.5206 0.0000 0.0000 52198.1912 -109605.3159 299.9837 -161803.5071 -109241.1399 298.7481 6.9697 33.7163 760787.4262 3.3931 3.3281 PRESSURE: 2807000 -280.028 -21.2009 104.458 -21.2005 -35.4729 -142.889 104.458 -142.89 -57.1965 GPRESSURE: 2807000 -245.284 -34.4167 171.3 35.0404 28.745 -209.482 21.084 -45.7109 -55.4051 PRESSAVG: 2807000 28.1476 -82.7091 6.01224 -82.7091 15.5225 -5.04082 6.01224 -5.04079 24.0119 GPRESSAVG: 2807000 28.5834 -83.7086 6.67524 -79.9401 16.6161 -5.10542 5.37062 -2.82137 23.152 TIMING: 2807000 CPU: 8872.27, 0.00316396/step Wall: 8872.27, 0.00316396/step, 1.92738 hours remaining, 239.589844 MB of memory in use. ENERGY: 2807000 3957.3068 20535.4023 14468.7796 248.6903 -202911.8095 2133.6298 0.0000 0.0000 51811.3257 -109756.6750 297.7604 -161568.0007 -109409.2857 298.3577 -124.2326 -90.6479 760052.0045 22.5607 22.7839 PRESSURE: 2807200 494.002 92.1528 193.059 92.1528 -111.391 -36.4405 193.058 -36.4411 -169.558 GPRESSURE: 2807200 470.812 102.62 214.141 116.256 -71.653 -31.4576 120.308 -36.3375 -75.3424 PRESSAVG: 2807200 10.0198 -50.6002 8.47346 -50.6002 24.3307 38.2052 8.47344 38.2052 -13.3971 GPRESSAVG: 2807200 10.3559 -48.7519 7.32807 -54.3606 23.5188 39.2482 10.8199 37.6463 -12.5187 TIMING: 2807200 CPU: 8872.9, 0.00315815/step Wall: 8872.9, 0.00315814/step, 1.92366 hours remaining, 239.589844 MB of memory in use. ENERGY: 2807200 3941.9595 20466.7507 14485.9225 257.5500 -203153.5604 2415.1077 0.0000 0.0000 51833.4591 -109752.8110 297.8876 -161586.2701 -109401.9755 298.0882 71.0177 107.9388 760569.0944 6.9845 7.1186 PRESSURE: 2807400 -2.68323 -196.32 -56.8059 -196.32 -524.415 -49.5023 -56.8071 -49.502 40.6586 GPRESSURE: 2807400 17.1454 -143.103 -113.715 -219.32 -389.029 -125.318 -163.087 22.633 -24.5356 PRESSAVG: 2807400 66.4465 -41.6422 27.4793 -41.6422 -94.9999 -19.1413 27.4793 -19.1414 6.1075 GPRESSAVG: 2807400 66.9742 -42.9479 28.5695 -41.3945 -95.0005 -19.8954 26.6423 -20.0733 5.34499 TIMING: 2807400 CPU: 8873.53, 0.00314911/step Wall: 8873.53, 0.00314911/step, 1.91798 hours remaining, 239.589844 MB of memory in use. ENERGY: 2807400 3995.9592 20571.2793 14501.8077 251.9502 -203184.0693 2288.7072 0.0000 0.0000 51913.1731 -109661.1926 298.3457 -161574.3657 -109322.0006 298.8912 -162.1467 -132.1396 761008.6642 -7.4820 -7.5604 PRESSURE: 2807600 15.0474 11.5823 15.6803 11.5828 -109.812 236.116 15.6802 236.115 -378.988 GPRESSURE: 2807600 7.27957 29.0724 -5.08741 -109.424 -75.0932 112.247 -69.3148 278.325 -311.306 PRESSAVG: 2807600 -9.94416 -36.3477 1.07917 -36.3478 -12.0721 49.852 1.07917 49.852 11.1904 GPRESSAVG: 2807600 -10.0361 -36.5284 0.292587 -36.4802 -11.5363 50.4471 0.849572 50.7328 11.3184 TIMING: 2807600 CPU: 8874.16, 0.0031415/step Wall: 8874.16, 0.0031415/step, 1.91317 hours remaining, 239.589844 MB of memory in use. ENERGY: 2807600 3968.0662 20637.6404 14463.2422 253.9904 -203532.0052 2510.5285 0.0000 0.0000 52203.0510 -109495.4865 300.0117 -161698.5375 -109129.8213 299.4233 -157.9174 -126.3732 760996.0431 -3.6086 -3.4180 PRESSURE: 2807800 -73.2662 -118.81 2.11731 -118.811 255.04 240.632 2.11643 240.632 -8.95489 GPRESSURE: 2807800 -47.6827 7.58309 63.5176 -193.278 232.046 303.144 27.1035 199.478 74.0262 PRESSAVG: 2807800 -15.1346 -5.30443 10.2221 -5.3043 10.4316 11.5533 10.222 11.5533 -1.30666 GPRESSAVG: 2807800 -16.3593 -3.75546 11.2286 -5.07612 10.3369 12.6611 10.6635 10.6515 -0.382754 TIMING: 2807800 CPU: 8874.79, 0.00314717/step Wall: 8874.79, 0.00314717/step, 1.91645 hours remaining, 239.589844 MB of memory in use. ENERGY: 2807800 3995.6382 20607.6938 14502.6963 234.4864 -203589.8718 2724.6612 0.0000 0.0000 51969.3740 -109555.3218 298.6687 -161524.6959 -109195.3935 299.6099 57.6063 86.1299 761344.7880 -2.0032 -2.1350 PRESSURE: 2808000 -254.574 -69.0776 -183.72 -69.0769 -197.391 -63.255 -183.72 -63.2532 162.315 GPRESSURE: 2808000 -155.323 -61.6037 -232.471 -63.2529 -217.827 -14.3529 -117.489 45.4842 160.729 PRESSAVG: 2808000 -27.6282 -63.1812 -40.5975 -63.1812 -9.23629 3.91827 -40.5975 3.9183 -18.7954 GPRESSAVG: 2808000 -27.3976 -64.7177 -40.0793 -63.1398 -9.86214 3.84908 -40.6166 4.46936 -18.4241 TIMING: 2808000 CPU: 8875.42, 0.00316152/step Wall: 8875.42, 0.00316152/step, 1.92502 hours remaining, 239.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2808000 4022.4805 20564.6872 14454.3866 221.0815 -203235.5641 2412.5328 0.0000 0.0000 52069.6634 -109490.7321 299.2451 -161560.3955 -109130.8444 299.2325 -96.5499 -70.8068 760881.2517 -18.5533 -18.5613 PRESSURE: 2808200 -583.227 -109.107 -162.588 -109.106 -120.923 -45.311 -162.588 -45.3105 -222.946 GPRESSURE: 2808200 -496.527 -97.7967 -148.584 -103.89 -136.598 66.8606 -49.2178 -24.7945 -228.546 PRESSAVG: 2808200 -18.1967 -3.71981 -18.9945 -3.71979 3.05003 22.8479 -18.9945 22.8479 21.3554 GPRESSAVG: 2808200 -16.9701 -3.51472 -20.1478 -3.25731 2.62618 24.8519 -18.2298 22.1387 20.4234 TIMING: 2808200 CPU: 8876.06, 0.00315228/step Wall: 8876.06, 0.00315228/step, 1.91922 hours remaining, 239.589844 MB of memory in use. ENERGY: 2808200 3965.5185 20543.5184 14494.6115 244.1872 -202790.0986 1985.7214 0.0000 0.0000 52051.9389 -109504.6028 299.1432 -161556.5416 -109133.7897 299.1157 -309.0320 -287.2238 760375.2813 2.0696 2.0265 LDB: ============= START OF LOAD BALANCING ============== 8888.45 LDB: ============== END OF LOAD BALANCING =============== 8888.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8888.45 LDB: ============= START OF LOAD BALANCING ============== 8888.77 LDB: Largest compute 7077 load 0.033787 is 17.2% of average load 0.196004 LDB: Average compute 0.004372 is 2.2% of average load 0.196004 LDB: TIME 8888.77 LOAD: AVG 0.196004 MAX 0.221879 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 8888.77 LOAD: AVG 0.196004 MAX 0.221879 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 8888.77 LOAD: AVG 0.196004 MAX 0.221879 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 8888.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8888.78 PRESSURE: 2808400 42.2932 8.09526 46.108 8.09481 142.886 -69.3999 46.108 -69.4004 -85.8235 GPRESSURE: 2808400 132.965 25.8025 87.3083 -99.3166 57.5113 40.4033 71.2009 -215.319 7.8504 PRESSAVG: 2808400 -27.0795 -13.9258 -31.8978 -13.9259 1.94059 -5.09863 -31.8979 -5.09865 -33.0009 GPRESSAVG: 2808400 -28.6044 -12.9395 -31.6195 -14.1425 2.74179 -7.29482 -30.2749 -3.03068 -32.4426 TIMING: 2808400 CPU: 8876.7, 0.003214/step Wall: 8876.7, 0.00321401/step, 1.95662 hours remaining, 237.843750 MB of memory in use. ENERGY: 2808400 3985.1012 20429.8420 14462.6524 235.2340 -202487.4837 2156.5365 0.0000 0.0000 51792.8065 -109425.3112 297.6540 -161218.1177 -109058.7346 298.9167 33.1185 66.1088 761237.2600 -19.3799 -19.4351 PRESSURE: 2808600 -74.2409 -13.1709 249.529 -13.1714 -212.45 22.624 249.529 22.6224 -624.574 GPRESSURE: 2808600 -94.1814 -39.6649 285.21 1.75996 -168.241 -10.1541 105.899 -47.6666 -570.796 PRESSAVG: 2808600 -0.923805 -6.82282 45.4972 -6.82283 43.9435 -0.394465 45.4972 -0.394441 9.76657 GPRESSAVG: 2808600 -0.730486 -7.49943 45.295 -7.54733 43.9656 -0.179399 43.0149 -2.67099 8.96059 TIMING: 2808600 CPU: 8877.33, 0.00315207/step Wall: 8877.33, 0.00315207/step, 1.91874 hours remaining, 237.843750 MB of memory in use. ENERGY: 2808600 4059.8006 20533.7755 14476.2137 258.6151 -203286.4809 2446.3033 0.0000 0.0000 52152.3346 -109359.4382 299.7202 -161511.7728 -109007.9174 299.3250 -303.7549 -277.7397 761973.6310 17.5954 17.3986 PRESSURE: 2808800 -177.2 182.709 -95.0635 182.709 43.3828 126.422 -95.0638 126.421 -254.899 GPRESSURE: 2808800 -157.759 82.3038 -54.444 10.6041 82.4823 115.976 -91.6989 7.67146 -220.667 PRESSAVG: 2808800 16.1158 -42.3464 26.9086 -42.3464 -4.26334 15.8033 26.9085 15.8033 22.9497 GPRESSAVG: 2808800 16.6242 -42.3042 27.2527 -41.7678 -3.85671 14.8873 26.966 15.1188 22.0066 TIMING: 2808800 CPU: 8877.96, 0.0031369/step Wall: 8877.96, 0.0031369/step, 1.90933 hours remaining, 237.843750 MB of memory in use. ENERGY: 2808800 4076.2086 20571.6203 14455.6974 251.7968 -203480.8568 2687.6551 0.0000 0.0000 52002.2755 -109435.6032 298.8578 -161437.8786 -109082.2728 299.1899 -129.5721 -98.6479 760205.7042 11.6007 11.5914 PRESSURE: 2809000 110.147 -172.339 -97.161 -172.338 -61.9423 -37.374 -97.1602 -37.3743 234.564 GPRESSURE: 2809000 156.786 -60.038 -36.2743 -134.493 -8.40909 5.07013 -111.889 -80.1191 226.391 PRESSAVG: 2809000 18.5981 -55.8503 -12.0315 -55.8504 -44.5215 8.0948 -12.0314 8.09485 2.95374 GPRESSAVG: 2809000 18.9199 -54.9466 -11.8084 -56.5895 -46.2423 8.48818 -12.4999 9.27062 4.5251 TIMING: 2809000 CPU: 8878.59, 0.00316132/step Wall: 8878.59, 0.00316132/step, 1.92402 hours remaining, 237.843750 MB of memory in use. ENERGY: 2809000 3953.3622 20528.0222 14373.4170 250.3248 -203424.9567 2743.5231 0.0000 0.0000 52246.7798 -109329.5277 300.2630 -161576.3074 -108963.0855 299.4750 94.2564 124.9225 762029.0986 -7.6566 -7.5991 PRESSURE: 2809200 -58.2232 -343.08 -84.0752 -343.079 -332.942 -37.7911 -84.0755 -37.7918 -211.91 GPRESSURE: 2809200 -75.9364 -322.545 -54.3167 -255.605 -244.6 -39.4 -48.552 -50.7707 -217.709 PRESSAVG: 2809200 44.6664 -11.5269 -121.917 -11.5269 -51.7574 32.1493 -121.917 32.1494 15.003 GPRESSAVG: 2809200 43.7379 -11.0956 -121.553 -12.433 -50.5843 32.1105 -120.614 34.1907 15.0171 TIMING: 2809200 CPU: 8879.22, 0.00314281/step Wall: 8879.22, 0.00314281/step, 1.91258 hours remaining, 237.843750 MB of memory in use. ENERGY: 2809200 4029.5141 20501.9966 14462.7256 220.6704 -203001.2291 2266.4024 0.0000 0.0000 52241.6839 -109278.2360 300.2337 -161519.9199 -108912.0658 299.6428 -201.0251 -179.4151 760921.2595 2.6374 2.7236 PRESSURE: 2809400 -317.748 156.752 35.0859 156.752 191.059 -119.871 35.086 -119.871 107.024 GPRESSURE: 2809400 -215.26 148.022 -20.4063 201.135 171.354 -30.6709 29.8012 -33.9845 114.719 PRESSAVG: 2809400 39.6618 -29.4762 -6.38324 -29.4762 -22.9148 16.7655 -6.3833 16.7655 -20.2422 GPRESSAVG: 2809400 39.4416 -30.865 -5.21168 -28.1975 -23.1306 17.4854 -8.12373 15.6225 -20.3489 TIMING: 2809400 CPU: 8879.85, 0.00314675/step Wall: 8879.85, 0.00314675/step, 1.9148 hours remaining, 237.843750 MB of memory in use. ENERGY: 2809400 3963.1661 20724.5433 14368.3178 285.7551 -203052.5086 2320.0893 0.0000 0.0000 52178.0433 -109212.5936 299.8679 -161390.6370 -108845.8433 299.6135 -6.5548 23.6040 759479.6078 -1.1650 -1.3460 PRESSURE: 2809600 324.671 7.29274 -285.553 7.2915 250.653 281.987 -285.553 281.986 111.201 GPRESSURE: 2809600 316.358 3.89346 -295.948 -5.36463 323.796 228.935 -230.214 184.892 123.108 PRESSAVG: 2809600 -13.9688 -12.3472 -4.42731 -12.3472 -11.1001 7.47227 -4.42728 7.47233 3.25329 GPRESSAVG: 2809600 -14.5344 -12.3256 -5.25219 -14.0898 -11.7925 7.69257 -3.12458 6.48387 3.681 TIMING: 2809600 CPU: 8880.48, 0.0031565/step Wall: 8880.48, 0.0031565/step, 1.92056 hours remaining, 237.843750 MB of memory in use. ENERGY: 2809600 4046.3371 20490.9199 14454.6150 241.2545 -203261.6900 2662.5825 0.0000 0.0000 52083.3402 -109282.6408 299.3237 -161365.9810 -108922.0038 299.7746 228.8420 254.4204 761287.5222 -7.2718 -7.5486 PRESSURE: 2809800 -31.6 -62.1856 132.402 -62.187 -4.33584 -114.938 132.401 -114.939 337.153 GPRESSURE: 2809800 90.4634 -131.154 94.8262 -107.419 -9.46651 -45.1589 31.1366 -154.812 317.946 PRESSAVG: 2809800 -8.55385 17.4439 -16.3988 17.4438 26.0233 25.9879 -16.3989 25.9879 6.25096 GPRESSAVG: 2809800 -8.17852 17.844 -18.1164 18.4415 26.3546 26.8228 -14.6621 25.691 5.20901 TIMING: 2809800 CPU: 8881.11, 0.00314639/step Wall: 8881.11, 0.00314639/step, 1.91423 hours remaining, 237.843750 MB of memory in use. ENERGY: 2809800 3961.9593 20628.8431 14524.0964 264.1230 -203021.8737 2322.8214 0.0000 0.0000 52095.9709 -109224.0597 299.3963 -161320.0305 -108874.6469 299.6998 100.4056 132.9811 761324.4679 7.9068 7.7950 PRESSURE: 2810000 -84.5048 40.6486 -48.3911 40.6486 -170.173 52.9254 -48.3913 52.9267 -248.213 GPRESSURE: 2810000 -142.686 62.5644 -165.658 76.9297 -55.0602 89.4657 4.634 -0.102199 -204.771 PRESSAVG: 2810000 -26.714 -39.0845 28.1909 -39.0845 27.5416 -3.5165 28.1909 -3.51656 9.40404 GPRESSAVG: 2810000 -26.6761 -40.5909 29.673 -38.476 27.3963 -4.75671 24.7576 -2.70396 9.81336 TIMING: 2810000 CPU: 8881.73, 0.00313415/step Wall: 8881.73, 0.00313415/step, 1.9066 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2810000 4022.7497 20603.1433 14427.8512 250.2417 -203086.6705 2462.1658 0.0000 0.0000 52082.2367 -109238.2821 299.3173 -161320.5188 -108883.8664 299.6768 -167.6303 -134.1726 762506.2619 3.4105 3.5112 PRESSURE: 2810200 22.0407 -138.006 -80.5935 -138.007 92.8327 254.79 -80.5942 254.791 -252.126 GPRESSURE: 2810200 103.31 -21.1687 -142.083 -87.3004 60.9516 243.962 -70.5253 320.12 -226.261 PRESSAVG: 2810200 1.43607 -18.231 -33.6918 -18.2311 30.5329 36.3267 -33.6917 36.3267 -19.8631 GPRESSAVG: 2810200 1.54492 -18.2679 -34.2624 -16.1165 32.935 35.4482 -32.2306 36.006 -22.1676 TIMING: 2810200 CPU: 8882.36, 0.00315228/step Wall: 8882.36, 0.00315228/step, 1.91746 hours remaining, 237.843750 MB of memory in use. ENERGY: 2810200 3963.1682 20459.2696 14430.0051 247.5248 -203143.1281 2384.5270 0.0000 0.0000 52283.1647 -109375.4687 300.4721 -161658.6334 -109016.8751 299.6050 -45.7508 -20.6665 761743.1767 4.0353 4.1041 PRESSURE: 2810400 -452.445 26.8086 -224.428 26.8075 -403.406 117.22 -224.428 117.221 -66.8114 GPRESSURE: 2810400 -396.205 -37.6985 -228.766 44.6167 -465.558 127.398 -160.482 12.9675 -5.4428 PRESSAVG: 2810400 6.98463 -20.5481 -65.7413 -20.5482 -39.4074 26.7932 -65.7413 26.7933 -3.44447 GPRESSAVG: 2810400 7.89658 -18.329 -64.6877 -22.1297 -42.3996 30.3286 -66.935 25.6437 -1.99349 TIMING: 2810400 CPU: 8882.99, 0.00314075/step Wall: 8882.99, 0.00314075/step, 1.91027 hours remaining, 237.843750 MB of memory in use. ENERGY: 2810400 4001.3223 20578.7721 14492.1943 263.5626 -202577.7492 2140.8986 0.0000 0.0000 52035.2855 -109065.7138 299.0475 -161100.9993 -108699.7137 299.6283 -307.5542 -289.0685 762316.6914 -11.9557 -12.1655 PRESSURE: 2810600 142.233 -318.84 152.157 -318.841 0.515213 -25.5735 152.156 -25.5751 184.359 GPRESSURE: 2810600 248.503 -224.905 76.0783 -190.439 -70.9439 -39.5873 111.054 21.8117 233.394 PRESSAVG: 2810600 -14.4957 -37.6503 -88.4695 -37.6502 -29.7496 -40.6257 -88.4695 -40.6256 -29.2552 GPRESSAVG: 2810600 -16.7591 -38.5309 -89.4547 -39.489 -27.8149 -42.1757 -86.9668 -40.3252 -28.7102 TIMING: 2810600 CPU: 8883.62, 0.00313527/step Wall: 8883.62, 0.00313527/step, 1.90677 hours remaining, 237.843750 MB of memory in use. ENERGY: 2810600 3959.1425 20542.5636 14461.2972 257.3553 -202869.4497 2207.5784 0.0000 0.0000 52311.4811 -109130.0316 300.6348 -161441.5127 -108774.8416 300.3003 109.0359 136.9843 759855.4747 -24.5001 -24.4281 PRESSURE: 2810800 -371.943 -28.7413 177.283 -28.7409 -132.693 -56.0396 177.284 -56.0414 -63.455 GPRESSURE: 2810800 -349.8 37.565 113.686 17.7114 -91.5313 -75.1718 165.083 -141.729 -30.5563 PRESSAVG: 2810800 -0.548294 -36.9175 -56.4982 -36.9175 6.01441 -16.1345 -56.4981 -16.1345 -11.9041 GPRESSAVG: 2810800 0.807128 -38.621 -56.1219 -36.3665 4.1335 -16.5567 -58.0163 -15.9945 -11.6238 TIMING: 2810800 CPU: 8884.25, 0.00313832/step Wall: 8884.25, 0.00313832/step, 1.90845 hours remaining, 237.843750 MB of memory in use. ENERGY: 2810800 3961.8659 20477.7261 14421.0072 267.6339 -202936.9130 2427.5476 0.0000 0.0000 52283.7328 -109097.3994 300.4753 -161381.1323 -108729.9574 300.2403 -189.3638 -157.2960 762662.7949 -2.1460 -2.2277 PRESSURE: 2811000 132.887 -1.62859 -195.481 -1.62878 -90.9211 -168.256 -195.48 -168.256 300.209 GPRESSURE: 2811000 52.1505 72.9342 -143.243 -20.284 51.6046 -6.06398 -217.683 -209.928 350.282 PRESSAVG: 2811000 53.8712 3.37946 -11.4653 3.3794 -59.6067 -58.8873 -11.4653 -58.8874 12.0768 GPRESSAVG: 2811000 54.4311 5.69137 -12.7411 3.72426 -58.407 -57.7317 -11.9224 -60.0108 10.8568 TIMING: 2811000 CPU: 8884.88, 0.00315178/step Wall: 8884.88, 0.00315178/step, 1.91646 hours remaining, 237.843750 MB of memory in use. ENERGY: 2811000 3948.3373 20492.9072 14387.9615 265.7171 -203183.1952 2681.7167 0.0000 0.0000 52171.5317 -109235.0238 299.8305 -161406.5554 -108872.3180 300.2356 114.0583 151.3458 760123.5457 2.1138 2.2936 PRESSURE: 2811200 203.584 -73.1545 -19.1324 -73.1545 35.7077 -271.344 -19.1326 -271.345 -62.8067 GPRESSURE: 2811200 302.951 -56.9094 26.121 -164.547 69.0554 -230.249 16.1649 -157.078 -122.042 PRESSAVG: 2811200 105.954 -2.31067 -6.50976 -2.31068 -113.11 -60.0099 -6.50975 -60.0099 5.05103 GPRESSAVG: 2811200 105.097 -5.64251 -5.78341 -1.04844 -112.786 -60.0232 -4.84609 -60.3885 5.42809 TIMING: 2811200 CPU: 8885.51, 0.00313982/step Wall: 8885.51, 0.00313983/step, 1.90901 hours remaining, 237.843750 MB of memory in use. ENERGY: 2811200 3905.5268 20542.1827 14487.5163 259.5850 -202944.0233 2274.8613 0.0000 0.0000 52112.1750 -109362.1763 299.4894 -161474.3513 -109003.0761 299.3939 58.8285 83.3214 759758.9897 -0.7014 -0.7538 PRESSURE: 2811400 -75.4381 -22.4434 10.4196 -22.4438 -196.054 148.919 10.4198 148.919 -333.022 GPRESSURE: 2811400 -73.8562 -17.499 61.9084 -11.2574 -215.737 140.566 -55.9659 17.0713 -254.122 PRESSAVG: 2811400 80.8022 -10.7026 -47.2571 -10.7026 -97.0081 -100.721 -47.257 -100.721 -20.7775 GPRESSAVG: 2811400 80.1995 -9.87803 -47.7195 -13.2814 -97.1289 -100.915 -46.6472 -101.231 -20.0088 TIMING: 2811400 CPU: 8886.14, 0.00315266/step Wall: 8886.14, 0.00315266/step, 1.91664 hours remaining, 237.843750 MB of memory in use. ENERGY: 2811400 3970.8047 20475.6378 14410.0094 243.2555 -202776.4239 2345.6439 0.0000 0.0000 52057.7802 -109273.2926 299.1768 -161331.0728 -108904.2614 298.9198 -201.5047 -181.2384 762758.6277 -12.3278 -12.3127 PRESSURE: 2811600 411.058 -69.2641 -103.472 -69.2637 178.096 22.1127 -103.472 22.1121 134.565 GPRESSURE: 2811600 418.066 -194.114 -148.264 87.2549 163.095 80.4911 -7.35853 -112.083 209.206 PRESSAVG: 2811600 56.5244 7.10731 -0.343508 7.10729 -52.0835 -35.3539 -0.343464 -35.3539 14.1181 GPRESSAVG: 2811600 58.4193 6.00869 -0.289072 8.07699 -52.6347 -33.9669 0.896182 -34.2024 13.0167 TIMING: 2811600 CPU: 8886.77, 0.00315606/step Wall: 8886.77, 0.00315606/step, 1.91854 hours remaining, 237.843750 MB of memory in use. ENERGY: 2811600 3915.6962 20426.8817 14508.9910 271.3139 -202958.0738 2332.3608 0.0000 0.0000 52217.2498 -109285.5805 300.0933 -161502.8303 -108917.8088 299.2513 241.2398 263.4560 759555.3633 6.1863 6.2671 PRESSURE: 2811800 -210.661 57.8454 171.282 57.8459 252.475 32.1657 171.281 32.1656 184.551 GPRESSURE: 2811800 -141.063 86.6427 133.496 116.214 333.409 5.17134 74.2621 84.1351 111.337 PRESSAVG: 2811800 -4.55879 -20.3046 6.1882 -20.3046 12.4178 -1.21588 6.18822 -1.21585 -0.70602 GPRESSAVG: 2811800 -5.53072 -18.0111 6.2928 -18.1063 14.1032 -2.15746 3.13256 -2.26756 -0.80127 TIMING: 2811800 CPU: 8887.4, 0.00315239/step Wall: 8887.4, 0.00315239/step, 1.91613 hours remaining, 237.843750 MB of memory in use. ENERGY: 2811800 4029.6826 20575.4734 14452.6487 236.2768 -203064.3106 2351.6876 0.0000 0.0000 52163.0074 -109255.5340 299.7815 -161418.5414 -108894.8021 299.5685 75.4549 101.2273 761668.3816 2.3843 2.5904 PRESSURE: 2812000 -47.9914 -225.176 127.276 -225.177 -89.3557 67.4924 127.276 67.4929 -9.09623 GPRESSURE: 2812000 -96.6425 -202.278 66.9488 -211.342 20.3502 196.782 196.261 46.6944 24.9077 PRESSAVG: 2812000 -11.8258 -11.2673 -38.5379 -11.2673 -21.5394 -44.079 -38.5379 -44.079 0.959372 GPRESSAVG: 2812000 -10.9489 -10.5146 -38.5201 -14.7311 -21.3925 -44.7526 -37.1947 -41.8994 0.1856 TIMING: 2812000 CPU: 8888.03, 0.00316082/step Wall: 8888.03, 0.00316082/step, 1.92108 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2812000 4064.4024 20478.3080 14507.6715 245.3658 -203041.9752 2359.8292 0.0000 0.0000 51917.2600 -109469.1383 298.3692 -161386.3983 -109104.4985 299.7709 -48.8144 -17.1282 761810.5120 -10.8020 -10.7186 PRESSURE: 2812200 -116.939 -109.752 124.925 -109.752 2.12587 250.521 124.925 250.522 45.5148 GPRESSURE: 2812200 -123.311 -97.3115 8.33507 -172.094 -37.4294 218.14 35.0341 201.703 185.768 PRESSAVG: 2812200 -15.0459 -102.35 -36.4397 -102.35 -16.7516 -2.65471 -36.4397 -2.65471 5.16819 GPRESSAVG: 2812200 -16.2871 -102.746 -38.7573 -101.711 -17.2599 -3.51736 -35.1971 -3.79589 6.75529 TIMING: 2812200 CPU: 8888.66, 0.00315721/step Wall: 8888.66, 0.00315721/step, 1.9187 hours remaining, 237.843750 MB of memory in use. ENERGY: 2812200 4065.4757 20595.6443 14472.1316 229.8473 -203230.0248 2463.5914 0.0000 0.0000 51884.5456 -109518.7890 298.1812 -161403.3345 -109167.7114 299.4394 -23.0995 8.3424 762037.3341 -8.8764 -8.9306 LDB: ============= START OF LOAD BALANCING ============== 8901.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8901.06 LDB: =============== DONE WITH MIGRATION ================ 8901.06 LDB: ============= START OF LOAD BALANCING ============== 8901.37 LDB: Largest compute 7077 load 0.034293 is 17.5% of average load 0.196167 LDB: Average compute 0.004378 is 2.2% of average load 0.196167 LDB: TIME 8901.38 LOAD: AVG 0.196167 MAX 0.215243 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 8901.38 LOAD: AVG 0.196167 MAX 0.215243 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 8901.38 LOAD: AVG 0.196167 MAX 0.215243 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 8901.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8901.39 PRESSURE: 2812400 146.293 -58.486 65.7109 -58.4867 279.625 208.114 65.7096 208.112 329.441 GPRESSURE: 2812400 227.879 49.5917 80.5355 -30.1041 260.824 146.932 175.425 141.484 359.135 PRESSAVG: 2812400 -25.8055 -14.0269 -5.51012 -14.0269 21.8246 55.4283 -5.51009 55.4284 49.9964 GPRESSAVG: 2812400 -25.0009 -16.1074 -3.83243 -11.3685 21.8228 55.5621 -6.30769 54.4165 49.061 TIMING: 2812400 CPU: 8889.3, 0.00321175/step Wall: 8889.3, 0.00321175/step, 1.95168 hours remaining, 239.250000 MB of memory in use. ENERGY: 2812400 3955.4861 20591.0271 14506.3373 259.4735 -203775.3632 2706.6256 0.0000 0.0000 52150.9366 -109605.4769 299.7121 -161756.4136 -109249.5062 298.9091 251.7863 282.6129 759478.0595 15.3385 15.2943 PRESSURE: 2812600 68.9976 -320.065 -55.9545 -320.064 -103.342 66.1636 -55.9543 66.1639 -182.918 GPRESSURE: 2812600 119.763 -246.346 -85.5477 -252.021 -66.2335 -43.8915 111.676 112.142 -193.727 PRESSAVG: 2812600 32.8626 35.049 -30.1249 35.0491 -52.7967 -14.1527 -30.1249 -14.1527 4.34844 GPRESSAVG: 2812600 32.999 36.066 -30.7532 33.9961 -52.8114 -14.1565 -26.0312 -14.3122 4.33364 TIMING: 2812600 CPU: 8889.93, 0.00315855/step Wall: 8889.93, 0.00315855/step, 1.91917 hours remaining, 239.250000 MB of memory in use. ENERGY: 2812600 3978.3935 20575.3981 14464.1878 252.6399 -203501.5681 2432.3387 0.0000 0.0000 52279.0115 -109519.5986 300.4482 -161798.6101 -109147.0897 298.9193 -72.4209 -46.7326 759470.8407 -5.1952 -5.1596 PRESSURE: 2812800 -322.607 62.1329 -24.2547 62.1324 -160.395 -13.9325 -24.2549 -13.9318 -116.949 GPRESSURE: 2812800 -302.343 6.96828 25.064 73.4212 -165.175 13.3587 -7.97393 -114.799 -57.5848 PRESSAVG: 2812800 71.3647 6.63688 16.8545 6.63683 0.169703 -0.496517 16.8545 -0.496486 13.4938 GPRESSAVG: 2812800 72.155 5.09421 16.7819 6.60774 -0.905677 -0.713384 13.9698 0.533712 13.8901 TIMING: 2812800 CPU: 8890.56, 0.00313913/step Wall: 8890.56, 0.00313913/step, 1.9072 hours remaining, 239.250000 MB of memory in use. ENERGY: 2812800 4067.4305 20683.9698 14420.9269 248.8370 -203361.7203 2237.5911 0.0000 0.0000 51887.9487 -109815.0163 298.2008 -161702.9650 -109454.3830 299.4110 -199.9837 -175.0343 760037.2533 28.3428 28.3798 PRESSURE: 2813000 -582.422 292.645 -71.6685 292.646 161.795 293.545 -71.6691 293.545 13.2301 GPRESSURE: 2813000 -447.97 184.854 -186.629 163.001 110.799 273.456 -14.5677 225.959 13.7074 PRESSAVG: 2813000 45.1818 22.3418 -32.6689 22.3418 25.7825 -12.9273 -32.669 -12.9274 10.2902 GPRESSAVG: 2813000 43.9182 23.1238 -30.5944 21.1375 25.6108 -12.3726 -35.1551 -13.0471 11.5808 TIMING: 2813000 CPU: 8891.19, 0.00315279/step Wall: 8891.19, 0.00315279/step, 1.91532 hours remaining, 239.250000 MB of memory in use. ENERGY: 2813000 4000.0349 20645.3198 14421.1325 262.5676 -203713.5163 2458.7617 0.0000 0.0000 51980.4251 -109945.2747 298.7322 -161925.6998 -109582.1738 298.6423 -135.7990 -107.8210 758361.0406 27.0848 27.0366 PRESSURE: 2813200 193.238 242.908 66.8484 242.908 -30.1505 165.382 66.8481 165.382 19.0376 GPRESSURE: 2813200 125.59 103.013 51.3014 294.968 87.6783 183.906 18.3062 149.355 41.0871 PRESSAVG: 2813200 -15.4813 8.41613 -9.52936 8.41616 22.7604 -28.0909 -9.52929 -28.0908 -25.4308 GPRESSAVG: 2813200 -16.069 10.0059 -10.9874 9.54096 24.0701 -28.94 -7.8668 -29.1163 -26.5939 TIMING: 2813200 CPU: 8891.82, 0.00314369/step Wall: 8891.82, 0.00314369/step, 1.90961 hours remaining, 239.250000 MB of memory in use. ENERGY: 2813200 3943.7169 20448.7228 14397.6598 260.9370 -203472.3155 2421.6085 0.0000 0.0000 52151.4274 -109848.2431 299.7150 -161999.6705 -109480.9386 298.3441 60.7083 84.7853 758410.5046 -6.0506 -6.1976 PRESSURE: 2813400 9.75669 111.419 -115.675 111.419 -80.0425 -55.241 -115.674 -55.2404 -285.538 GPRESSURE: 2813400 -59.4408 132.382 -109.992 64.476 -40.2039 -3.99875 34.7034 -162.67 -185.926 PRESSAVG: 2813400 35.6379 -9.03917 8.48535 -9.03916 -17.5102 -29.622 8.48535 -29.6219 -7.57166 GPRESSAVG: 2813400 35.0509 -11.0112 9.29704 -8.27071 -16.9938 -29.0546 8.9926 -28.9666 -8.11447 TIMING: 2813400 CPU: 8892.45, 0.00314352/step Wall: 8892.45, 0.00314352/step, 1.90934 hours remaining, 239.250000 MB of memory in use. ENERGY: 2813400 3923.3392 20484.2145 14425.7598 266.2979 -203245.0020 2222.6847 0.0000 0.0000 51809.0986 -110113.6072 297.7476 -161922.7058 -109753.8520 298.6681 -118.6080 -95.1903 758765.9731 3.5187 3.3142 PRESSURE: 2813600 -125.787 95.0735 -30.672 95.0732 132.596 192.468 -30.6716 192.468 155.882 GPRESSURE: 2813600 -1.66443 76.7215 8.28665 71.5172 84.1931 162.239 -83.8927 156.391 170.192 PRESSAVG: 2813600 9.30435 13.042 37.8185 13.0419 -4.3801 -13.2609 37.8185 -13.2609 -2.69122 GPRESSAVG: 2813600 11.7242 13.1958 38.7994 11.9103 -5.70391 -12.6454 36.2247 -13.7203 -3.47032 TIMING: 2813600 CPU: 8893.08, 0.00315616/step Wall: 8893.08, 0.00315616/step, 1.91684 hours remaining, 239.250000 MB of memory in use. ENERGY: 2813600 4016.8032 20516.2715 14465.8332 247.7510 -203567.2534 2575.1299 0.0000 0.0000 52010.5244 -109734.9403 298.9052 -161745.4647 -109373.1106 298.6804 54.2303 84.2403 757938.5926 0.7443 0.8500 PRESSURE: 2813800 -433.398 96.3594 -342.985 96.3605 -101.497 20.8708 -342.984 20.871 288.348 GPRESSURE: 2813800 -275.89 36.1625 -418.322 27.9611 -117.528 19.2558 -345.107 43.6128 236.733 PRESSAVG: 2813800 -9.39234 26.4422 -19.2205 26.4422 -32.032 8.83096 -19.2205 8.83097 19.0152 GPRESSAVG: 2813800 -11.4052 25.712 -21.5767 26.9358 -31.5538 9.47458 -18.3532 10.0408 20.8194 TIMING: 2813800 CPU: 8893.71, 0.00314734/step Wall: 8893.71, 0.00314734/step, 1.91131 hours remaining, 239.250000 MB of memory in use. ENERGY: 2813800 4008.7276 20373.6357 14493.8543 247.4305 -203083.5677 2266.7158 0.0000 0.0000 52186.9413 -109506.2624 299.9191 -161693.2038 -109142.9885 298.5927 -82.1827 -52.2286 760638.5887 -7.4697 -7.3799 PRESSURE: 2814000 12.5742 115.352 154.221 115.352 333.334 -48.5363 154.22 -48.537 -246.963 GPRESSURE: 2814000 105.843 207.961 110.259 -14.6416 245.073 -48.4355 111.327 -100.878 -167.29 PRESSAVG: 2814000 -4.96774 4.52392 -27.9334 4.5239 -23.5446 37.1111 -27.9333 37.1113 5.29822 GPRESSAVG: 2814000 -4.28161 5.87757 -26.7967 6.24956 -23.9183 36.8334 -26.1046 37.7577 4.39596 TIMING: 2814000 CPU: 8894.34, 0.00314578/step Wall: 8894.34, 0.00314578/step, 1.91019 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2814000 3971.7773 20514.2934 14455.0944 232.0017 -203118.1441 2392.1207 0.0000 0.0000 52062.0027 -109490.8539 299.2010 -161552.8566 -109122.1889 299.1612 32.9818 61.2086 761097.3903 -7.7380 -7.9346 PRESSURE: 2814200 -2.34694 36.384 -44.4742 36.3837 85.6869 70.8362 -44.4743 70.8361 -259.866 GPRESSURE: 2814200 13.0815 39.2363 -22.5383 -66.1969 68.5385 77.7943 -12.0592 68.2156 -160.859 PRESSAVG: 2814200 83.8012 40.1963 -58.342 40.1963 -84.5944 59.7832 -58.342 59.7832 2.22802 GPRESSAVG: 2814200 84.4131 39.7603 -59.1245 38.4049 -84.3873 57.5121 -58.201 60.5292 1.31103 TIMING: 2814200 CPU: 8894.97, 0.00314754/step Wall: 8894.97, 0.00314754/step, 1.91108 hours remaining, 239.250000 MB of memory in use. ENERGY: 2814200 3981.6264 20636.2396 14505.4500 250.8010 -203598.9224 2401.1366 0.0000 0.0000 52244.1601 -109579.5086 300.2479 -161823.6687 -109225.9577 299.7177 -58.8419 -26.4131 760460.3874 0.4783 0.4456 PRESSURE: 2814400 -50.3929 -26.2818 36.4975 -26.2828 -181.819 101.067 36.4971 101.067 26.9464 GPRESSURE: 2814400 -59.5109 58.2709 19.31 -39.7124 -178.422 122.718 -45.0133 121.674 96.7097 PRESSAVG: 2814400 25.8215 18.3091 -42.1692 18.3091 -39.6457 47.4622 -42.1691 47.4623 -1.20373 GPRESSAVG: 2814400 24.5879 19.0182 -42.0739 20.2917 -39.3606 49.5825 -44.6158 47.8193 -0.350195 TIMING: 2814400 CPU: 8895.6, 0.00313629/step Wall: 8895.6, 0.00313629/step, 1.90408 hours remaining, 239.250000 MB of memory in use. ENERGY: 2814400 3947.5287 20629.7317 14518.5795 257.5507 -203142.3464 2148.7341 0.0000 0.0000 51899.3462 -109740.8755 298.2663 -161640.2217 -109378.9064 299.3429 -68.4218 -47.0745 761782.6873 -5.0093 -5.0410 PRESSURE: 2814600 -229.239 -23.771 -32.8251 -23.7713 37.696 -323.098 -32.8253 -323.097 46.331 GPRESSURE: 2814600 -163.527 -40.277 -51.2056 -39.6338 99.9363 -260.364 -16.17 -202.998 -0.41704 PRESSAVG: 2814600 31.2184 37.227 10.1073 37.2269 -46.9452 4.52521 10.1073 4.52522 10.4979 GPRESSAVG: 2814600 31.4908 36.1035 11.8735 35.6731 -46.6209 3.22463 9.45423 4.93406 9.66927 TIMING: 2814600 CPU: 8896.23, 0.00314281/step Wall: 8896.23, 0.00314281/step, 1.90786 hours remaining, 239.250000 MB of memory in use. ENERGY: 2814600 4016.5662 20522.3815 14486.9080 252.9490 -203362.9302 2476.0049 0.0000 0.0000 52161.6009 -109446.5197 299.7734 -161608.1206 -109083.9071 299.3893 -48.4041 -21.3360 761522.5362 -1.7430 -1.8203 PRESSURE: 2814800 141.07 65.2638 63.4689 65.2653 -113.02 -46.2856 63.4694 -46.2855 -20.6017 GPRESSURE: 2814800 143.449 40.8228 26.4418 165.425 -48.6007 -65.9627 21.3688 -137.77 10.8048 PRESSAVG: 2814800 29.6925 10.9461 -46.7644 10.9461 -6.71593 -18.4823 -46.7644 -18.4823 0.906302 GPRESSAVG: 2814800 30.9213 11.7489 -48.5343 11.4636 -7.76952 -17.3622 -44.3815 -20.0526 1.63601 TIMING: 2814800 CPU: 8896.85, 0.00313765/step Wall: 8896.85, 0.00313765/step, 1.90455 hours remaining, 239.250000 MB of memory in use. ENERGY: 2814800 3992.8869 20619.8510 14486.2052 261.3028 -203220.2240 2375.1632 0.0000 0.0000 52100.4743 -109384.3405 299.4221 -161484.8148 -109010.7347 299.7446 2.4827 35.2177 759508.7528 7.9610 8.2626 PRESSURE: 2815000 69.5372 -4.40485 125.982 -4.40525 95.2008 151.767 125.982 151.766 304.29 GPRESSURE: 2815000 128.201 -86.5376 181.799 42.8322 182.424 128.228 19.2278 37.8731 224.276 PRESSAVG: 2815000 9.72282 -1.41771 -0.664767 -1.41772 -21.8865 34.582 -0.664726 34.582 -9.66465 GPRESSAVG: 2815000 8.62656 -2.07317 0.0572095 -0.459045 -21.3767 34.7991 -3.71271 31.3583 -9.76164 TIMING: 2815000 CPU: 8897.48, 0.00313481/step Wall: 8897.48, 0.00313481/step, 1.90265 hours remaining, 239.250000 MB of memory in use. ENERGY: 2815000 4038.4663 20443.0361 14470.2964 239.0330 -203289.6641 2676.2166 0.0000 0.0000 52085.3456 -109337.2700 299.3352 -161422.6157 -108963.5283 299.4726 156.3426 178.3005 761068.4146 -7.2761 -7.5039 PRESSURE: 2815200 -272.79 87.1955 -37.8623 87.1962 -148.283 156.315 -37.8615 156.315 -25.1382 GPRESSURE: 2815200 -190.049 13.5638 -101.581 204.411 -114.162 158.356 -77.6368 159.604 -56.8991 PRESSAVG: 2815200 45.8412 -10.0772 13.8756 -10.0772 -44.2964 25.3799 13.8756 25.3799 -4.26843 GPRESSAVG: 2815200 46.5489 -9.60587 12.9435 -10.8694 -44.9961 25.3312 15.5816 28.8462 -4.63255 TIMING: 2815200 CPU: 8898.11, 0.0031592/step Wall: 8898.11, 0.0031592/step, 1.91728 hours remaining, 239.250000 MB of memory in use. ENERGY: 2815200 3967.5479 20576.9127 14426.3736 243.2220 -203035.4390 2266.5896 0.0000 0.0000 52350.4706 -109204.3225 300.8589 -161554.7931 -108839.2314 299.9572 -148.7369 -120.3700 761932.2869 -0.9079 -1.0266 PRESSURE: 2815400 -31.6527 232.967 -21.5912 232.969 -178.494 -43.2145 -21.5924 -43.2145 -69.9149 GPRESSURE: 2815400 -50.6446 184.283 -29.4035 175.126 -80.152 -27.0813 56.6665 27.8821 -54.381 PRESSAVG: 2815400 18.117 1.08042 -29.3713 1.0804 -23.8269 34.12 -29.3712 34.1201 20.5086 GPRESSAVG: 2815400 17.9576 1.42175 -28.7094 -0.236243 -24.2111 34.7247 -26.5382 35.7199 21.0153 TIMING: 2815400 CPU: 8898.74, 0.00313848/step Wall: 8898.74, 0.00313848/step, 1.90453 hours remaining, 239.250000 MB of memory in use. ENERGY: 2815400 4049.2832 20580.0671 14411.6066 247.9436 -203253.1250 2583.9909 0.0000 0.0000 51993.6719 -109386.5618 298.8083 -161380.2336 -109020.8968 299.4448 -93.3538 -61.7259 762721.6585 4.9329 4.9206 PRESSURE: 2815600 -65.595 26.4641 -20.4206 26.4632 -27.5756 52.8557 -20.4205 52.8558 21.4133 GPRESSURE: 2815600 21.0571 -49.1588 -88.1681 114.599 -72.2677 69.9766 -6.84597 -15.0709 47.2496 PRESSAVG: 2815600 95.4121 -8.56221 29.8219 -8.56217 -98.0981 19.2286 29.8219 19.2285 2.74888 GPRESSAVG: 2815600 95.0665 -9.94242 28.3951 -6.85699 -97.6575 19.3817 27.9309 15.6562 2.02672 TIMING: 2815600 CPU: 8899.37, 0.00313999/step Wall: 8899.37, 0.00313999/step, 1.90528 hours remaining, 239.250000 MB of memory in use. ENERGY: 2815600 3970.6395 20455.0663 14529.7966 253.8816 -203205.8618 2472.6518 0.0000 0.0000 52021.2961 -109502.5298 298.9671 -161523.8259 -109136.2342 299.5946 -23.9191 -1.3203 760924.1363 0.0209 -0.1881 PRESSURE: 2815800 -49.1911 -98.8826 -23.5755 -98.8829 62.0584 120.06 -23.5757 120.059 169.727 GPRESSURE: 2815800 30.3336 -73.6803 13.9807 51.6518 51.8335 71.1812 -102.267 189.911 182.202 PRESSAVG: 2815800 16.2096 -1.7883 -20.8012 -1.78828 -3.85965 -16.4722 -20.8012 -16.4722 18.8241 GPRESSAVG: 2815800 15.5641 -1.30729 -20.6006 -2.2721 -4.58876 -18.9881 -20.9726 -13.8082 19.8973 TIMING: 2815800 CPU: 8900, 0.00314501/step Wall: 8900, 0.00314501/step, 1.90815 hours remaining, 239.250000 MB of memory in use. ENERGY: 2815800 3958.9609 20517.2604 14470.4996 242.2009 -203305.8912 2382.7885 0.0000 0.0000 52329.0612 -109405.1196 300.7358 -161734.1808 -109037.0386 298.9500 60.8649 88.1231 761247.2242 10.3913 10.2909 PRESSURE: 2816000 43.1994 36.2167 -144.66 36.2174 208.437 154.22 -144.66 154.219 281.502 GPRESSURE: 2816000 125.789 38.0626 -148.706 64.8342 234.824 159.667 -74.6413 125.885 249.868 PRESSAVG: 2816000 -25.6956 46.1434 -23.2209 46.1433 37.4909 49.5121 -23.2208 49.5121 -21.3942 GPRESSAVG: 2816000 -25.3288 45.8305 -23.1185 47.5849 37.3309 50.1684 -24.7295 48.5238 -21.9714 TIMING: 2816000 CPU: 8900.63, 0.00315342/step Wall: 8900.63, 0.00315342/step, 1.91308 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2816000 3943.7132 20546.8867 14484.4375 248.3228 -203344.4250 2742.3139 0.0000 0.0000 51976.5546 -109402.1964 298.7100 -161378.7510 -109040.7045 299.0823 177.7128 203.4935 761743.2600 -3.1996 -3.3231 PRESSURE: 2816200 -316.5 -229.96 154.52 -229.96 142.395 115.236 154.519 115.236 -76.6191 GPRESSURE: 2816200 -188.554 -242.697 221.89 -260.278 101.491 135.484 156.427 88.8065 -70.6537 PRESSAVG: 2816200 -23.1326 -16.5281 57.3408 -16.5281 32.9064 15.5647 57.3407 15.5647 -6.00845 GPRESSAVG: 2816200 -23.2405 -14.9915 58.9378 -17.1598 32.3613 15.791 57.3213 14.2347 -5.3701 TIMING: 2816200 CPU: 8901.26, 0.00315831/step Wall: 8901.26, 0.00315831/step, 1.91587 hours remaining, 239.250000 MB of memory in use. ENERGY: 2816200 3983.6653 20598.3446 14409.2864 243.1625 -202804.3258 2237.1734 0.0000 0.0000 51744.9091 -109587.7844 297.3787 -161332.6936 -109218.4453 299.1905 -83.5746 -52.5724 761648.3111 1.2551 1.2503 LDB: ============= START OF LOAD BALANCING ============== 8913.66 LDB: ============== END OF LOAD BALANCING =============== 8913.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8913.66 LDB: ============= START OF LOAD BALANCING ============== 8913.97 LDB: Largest compute 7059 load 0.035384 is 18.0% of average load 0.196046 LDB: Average compute 0.004379 is 2.2% of average load 0.196046 LDB: TIME 8913.98 LOAD: AVG 0.196046 MAX 0.216721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.691 MB LDB: TIME 8913.98 LOAD: AVG 0.196046 MAX 0.216721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: TIME 8913.98 LOAD: AVG 0.196046 MAX 0.216721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8913.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8913.99 PRESSURE: 2816400 143.884 -122.62 -137.374 -122.62 134.531 44.3606 -137.373 44.3607 292.018 GPRESSURE: 2816400 184.566 -124.914 -73.2983 -61.2291 149.452 5.81507 -1.81797 -52.8151 301.951 PRESSAVG: 2816400 -15.6162 -44.0887 22.7611 -44.0887 -14.763 7.49339 22.7611 7.49341 -15.5173 GPRESSAVG: 2816400 -15.0196 -43.6543 22.3434 -44.2786 -14.2624 8.63444 23.9654 8.20119 -16.2668 TIMING: 2816400 CPU: 8901.9, 0.00322178/step Wall: 8901.9, 0.00322178/step, 1.95419 hours remaining, 238.152344 MB of memory in use. ENERGY: 2816400 4023.0359 20526.7933 14389.2262 254.6382 -203256.3278 2369.8180 0.0000 0.0000 52040.4115 -109652.4047 299.0770 -161692.8162 -109285.9540 298.8871 190.1440 211.9898 762251.2666 -15.2988 -15.1829 PRESSURE: 2816600 -101.424 -24.7212 179.373 -24.7215 284.921 145.208 179.373 145.21 -201.359 GPRESSURE: 2816600 -30.3445 -45.5223 273.08 15.0853 230.968 169.71 152.107 102.573 -136.786 PRESSAVG: 2816600 55.7682 -8.76369 -15.7026 -8.7637 -18.7498 -21.0989 -15.7026 -21.0988 13.0354 GPRESSAVG: 2816600 55.799 -9.20512 -15.5887 -9.22554 -19.56 -19.79 -15.8079 -20.5366 13.8982 TIMING: 2816600 CPU: 8902.53, 0.0031357/step Wall: 8902.53, 0.0031357/step, 1.9018 hours remaining, 238.355469 MB of memory in use. ENERGY: 2816600 4070.8924 20456.6242 14428.3530 252.5128 -203303.3870 2353.2160 0.0000 0.0000 52078.9987 -109662.7899 299.2987 -161741.7886 -109291.5200 298.7044 -5.9540 21.2792 759875.7372 16.6846 16.7124 PRESSURE: 2816800 8.12157 2.55605 -107.584 2.55627 -222.468 -73.5946 -107.584 -73.594 351.052 GPRESSURE: 2816800 -42.5631 26.9317 -154.565 -4.14031 -142.027 -92.2975 85.0814 -126.872 404.328 PRESSAVG: 2816800 59.9512 -14.4362 25.647 -14.4362 -41.3321 -4.3125 25.647 -4.31253 2.53816 GPRESSAVG: 2816800 59.5689 -12.8505 24.9923 -15.8162 -39.9154 -5.3476 26.7391 -4.55457 1.837 TIMING: 2816800 CPU: 8903.16, 0.00314401/step Wall: 8903.16, 0.00314401/step, 1.90667 hours remaining, 238.355469 MB of memory in use. ENERGY: 2816800 4055.6000 20479.5751 14438.4068 262.7355 -203454.5900 2553.5909 0.0000 0.0000 52111.2779 -109553.4038 299.4842 -161664.6817 -109182.6971 298.9821 45.5683 73.2459 761427.7170 7.0524 7.1635 PRESSURE: 2817000 -53.443 -151.09 7.88704 -151.091 -18.3096 -12.6293 7.88745 -12.6291 483.045 GPRESSURE: 2817000 -30.234 -93.1215 -6.3383 -190.116 5.66763 40.6172 51.3221 -109.129 493.968 PRESSAVG: 2817000 -9.18173 -19.2057 41.4289 -19.2057 -1.73458 18.5753 41.4289 18.5753 -12.7623 GPRESSAVG: 2817000 -8.67288 -22.1681 42.5998 -15.5552 -2.16903 18.3338 39.5541 16.4989 -13.0675 TIMING: 2817000 CPU: 8903.79, 0.00314324/step Wall: 8903.79, 0.00314324/step, 1.90603 hours remaining, 238.355469 MB of memory in use. ENERGY: 2817000 3996.9341 20403.8749 14425.4340 237.4268 -203124.3735 2433.4458 0.0000 0.0000 51784.6455 -109842.6123 297.6071 -161627.2578 -109488.8606 298.7015 137.0976 156.4673 761266.9796 -7.8929 -7.9698 PRESSURE: 2817200 -16.4815 -135.564 -24.6701 -135.564 -177.818 -346.586 -24.6693 -346.587 21.2254 GPRESSURE: 2817200 48.6156 -114.741 32.9638 -194.823 -70.8466 -245.903 -97.5357 -292.475 -44.4257 PRESSAVG: 2817200 36.4901 -39.8507 -12.8244 -39.8507 -61.5732 60.0153 -12.8244 60.0152 -6.42996 GPRESSAVG: 2817200 37.2856 -38.9155 -12.6503 -42.5311 -62.6508 59.806 -11.7549 63.2529 -6.09436 TIMING: 2817200 CPU: 8904.42, 0.00315906/step Wall: 8904.42, 0.00315906/step, 1.91544 hours remaining, 238.355469 MB of memory in use. ENERGY: 2817200 3985.3883 20361.7621 14498.2613 256.6750 -203353.9003 2432.2288 0.0000 0.0000 51944.8653 -109874.7195 298.5279 -161819.5848 -109517.1962 298.2417 -57.6912 -22.2189 760872.2701 -10.5044 -10.4865 PRESSURE: 2817400 287.77 -147.362 90.7776 -147.362 -3.04816 -128.418 90.7779 -128.419 -239.855 GPRESSURE: 2817400 333.126 -95.9395 1.08874 -54.5222 -32.3493 -131.455 117.252 -29.6148 -162.007 PRESSAVG: 2817400 48.5242 -73.5889 28.4802 -73.5888 -10.3919 -31.898 28.4802 -31.8979 -11.83 GPRESSAVG: 2817400 47.8745 -72.9208 28.4332 -74.1781 -9.73521 -31.908 27.845 -31.4587 -11.3292 TIMING: 2817400 CPU: 8905.05, 0.00315994/step Wall: 8905.05, 0.00315994/step, 1.9158 hours remaining, 238.355469 MB of memory in use. ENERGY: 2817400 3947.8273 20398.2291 14506.8627 244.1296 -203585.6801 2559.0931 0.0000 0.0000 52245.2168 -109684.3215 300.2540 -161929.5383 -109320.6179 298.8010 14.9555 46.2564 759517.4756 8.7674 8.9367 PRESSURE: 2817600 -189.883 -86.3636 157.205 -86.3636 -32.9566 -44.1569 157.205 -44.1557 -100.676 GPRESSURE: 2817600 -119.496 -25.6881 175.121 -19.5999 -69.7095 -21.3634 217.259 12.2854 -27.6817 PRESSAVG: 2817600 55.629 -42.8641 -19.3227 -42.8642 -49.4095 -12.6716 -19.3227 -12.6716 -3.01749 GPRESSAVG: 2817600 56.1367 -42.8668 -19.1853 -42.8503 -48.8952 -11.2745 -19.5378 -13.4197 -3.45867 TIMING: 2817600 CPU: 8905.68, 0.0031535/step Wall: 8905.68, 0.0031535/step, 1.91172 hours remaining, 238.355469 MB of memory in use. ENERGY: 2817600 3932.2377 20575.3329 14442.3918 250.9435 -203045.3837 2227.6337 0.0000 0.0000 51872.1341 -109744.7100 298.1099 -161616.8441 -109384.3840 298.6255 -107.8386 -72.2956 761333.5664 1.0673 1.2609 PRESSURE: 2817800 -341.256 210.582 -59.3325 210.583 -413.47 140.283 -59.333 140.284 -2.06682 GPRESSURE: 2817800 -204.647 147.433 -101.386 216.496 -442.3 153.648 35.5648 182.997 -24.4301 PRESSAVG: 2817800 0.545502 41.9855 -15.2481 41.9854 -36.6959 -25.5074 -15.2481 -25.5074 7.49389 GPRESSAVG: 2817800 0.462565 39.9846 -15.8342 45.8303 -36.8106 -28.2201 -16.3845 -26.1539 7.0555 TIMING: 2817800 CPU: 8906.31, 0.00313951/step Wall: 8906.31, 0.00313951/step, 1.90306 hours remaining, 238.355469 MB of memory in use. ENERGY: 2817800 4016.5338 20585.6051 14516.3820 234.8098 -202942.6528 2173.6521 0.0000 0.0000 51908.0672 -109507.6028 298.3164 -161415.6700 -109145.7633 298.6435 -252.2643 -223.7923 763153.2588 -9.5522 -9.7642 PRESSURE: 2818000 -7.03976 -151.605 -196.363 -151.603 -152.793 83.8082 -196.362 83.8084 158.953 GPRESSURE: 2818000 -91.4739 -131.747 -106.031 -278.603 -57.3814 41.8833 -56.5543 184.65 248.571 PRESSAVG: 2818000 -3.60167 4.71575 17.3364 4.71588 25.0038 -3.39451 17.3365 -3.39453 12.1721 GPRESSAVG: 2818000 -3.94382 7.18904 17.7012 1.11298 25.262 -1.14764 18.5866 -3.16628 11.9248 TIMING: 2818000 CPU: 8906.94, 0.00314624/step Wall: 8906.94, 0.00314625/step, 1.90697 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2818000 4000.9219 20529.1677 14462.4306 252.4911 -203038.5608 2391.6852 0.0000 0.0000 52104.0314 -109297.8330 299.4426 -161401.8644 -108943.3357 299.2522 -0.2932 33.2384 760528.1344 11.1914 11.0810 PRESSURE: 2818200 -291.078 21.1514 61.7592 21.1513 221.234 23.2792 61.7592 23.2797 19.4493 GPRESSURE: 2818200 -198.66 86.3783 52.2359 8.37976 208.539 -8.0327 77.5806 81.3646 21.7582 PRESSAVG: 2818200 -10.303 22.8761 60.5629 22.8762 -56.188 23.2626 60.5629 23.2627 -8.12766 GPRESSAVG: 2818200 -9.72492 22.8217 60.8634 23.5259 -56.9557 22.7701 60.1912 22.3786 -8.48272 TIMING: 2818200 CPU: 8907.57, 0.00313026/step Wall: 8907.57, 0.00313026/step, 1.89711 hours remaining, 238.355469 MB of memory in use. ENERGY: 2818200 3992.7202 20450.1928 14402.5768 223.0360 -202946.2754 2270.0723 0.0000 0.0000 52225.5474 -109382.1299 300.1409 -161607.6773 -109018.1175 298.9275 -16.7982 10.5457 760415.5357 -24.8729 -25.0544 PRESSURE: 2818400 -227.844 74.9149 298.172 74.9152 265.156 207.666 298.173 207.666 8.54775 GPRESSURE: 2818400 -119.564 9.69667 268.105 54.1484 177.734 309.811 144.179 191.875 60.758 PRESSAVG: 2818400 13.4903 -11.2142 59.9981 -11.2142 -16.1637 22.5565 59.9981 22.5565 16.3369 GPRESSAVG: 2818400 13.2432 -11.7055 60.0266 -11.034 -16.183 22.6336 58.0825 22.4397 16.2169 TIMING: 2818400 CPU: 8908.19, 0.00314076/step Wall: 8908.19, 0.00314076/step, 1.9033 hours remaining, 238.355469 MB of memory in use. ENERGY: 2818400 3889.0661 20596.1367 14439.7870 231.0970 -203178.8654 2470.3612 0.0000 0.0000 51989.4018 -109563.0156 298.7838 -161552.4174 -109200.2346 299.1645 15.2868 39.6427 760662.3453 4.5545 4.4257 PRESSURE: 2818600 -131.079 -244.076 16.3829 -244.076 -14.4127 0.808423 16.3822 0.808749 -66.7497 GPRESSURE: 2818600 3.22787 -222.115 20.0077 -107.709 -27.5287 117.366 -41.6138 38.1003 -98.0145 PRESSAVG: 2818600 1.48528 0.702793 -9.45387 0.702793 38.6922 -16.4842 -9.45387 -16.4843 -2.73352 GPRESSAVG: 2818600 1.52544 -0.350589 -9.21257 1.08767 38.5285 -17.4081 -8.35655 -13.8478 -2.19398 TIMING: 2818600 CPU: 8908.82, 0.00314606/step Wall: 8908.82, 0.00314606/step, 1.90634 hours remaining, 238.355469 MB of memory in use. ENERGY: 2818600 4009.6384 20565.4992 14495.4821 237.2275 -202928.1604 2226.0191 0.0000 0.0000 52001.1524 -109393.1418 298.8513 -161394.2942 -109031.7893 299.0369 -70.7472 -40.7718 760962.3815 12.4813 12.6200 PRESSURE: 2818800 84.0844 -78.3278 -199.455 -78.3271 -39.6576 229.932 -199.454 229.931 -202.273 GPRESSURE: 2818800 129.177 -68.7411 -294.382 -50.1153 -14.5313 184.31 -153.987 168.498 -182.847 PRESSAVG: 2818800 -7.17601 -8.24661 29.3157 -8.24658 -24.0018 -18.3237 29.3157 -18.3236 -18.0973 GPRESSAVG: 2818800 -7.46721 -7.63422 28.2981 -7.58847 -24.6217 -15.7627 31.0134 -20.9324 -17.6035 TIMING: 2818800 CPU: 8909.45, 0.00314758/step Wall: 8909.45, 0.00314758/step, 1.90708 hours remaining, 238.355469 MB of memory in use. ENERGY: 2818800 3970.5460 20443.7084 14486.9162 250.8847 -202621.0866 2290.7032 0.0000 0.0000 51961.0370 -109217.2912 298.6208 -161178.3282 -108863.4266 298.8544 -52.6154 -22.7336 762982.6499 -16.4250 -16.5642 PRESSURE: 2819000 135.603 -85.0158 184.571 -85.0159 225.882 14.3541 184.571 14.3539 54.245 GPRESSURE: 2819000 154.186 -27.9442 244.244 44.7724 283.647 -41.6231 136.493 62.8161 71.1836 PRESSAVG: 2819000 33.2342 -8.87697 0.670963 -8.87697 -4.3412 -8.16407 0.671044 -8.16407 5.04213 GPRESSAVG: 2819000 33.4676 -7.21433 4.10526 -10.4331 -4.32601 -9.49464 -2.15415 -9.12356 4.65065 TIMING: 2819000 CPU: 8910.08, 0.00313452/step Wall: 8910.08, 0.00313452/step, 1.899 hours remaining, 238.355469 MB of memory in use. ENERGY: 2819000 4029.5260 20408.2410 14539.6883 233.8785 -203322.1283 2593.6008 0.0000 0.0000 52376.5053 -109140.6884 301.0085 -161517.1937 -108783.4761 299.2647 138.5767 169.6720 760211.6551 11.3117 11.2641 PRESSURE: 2819200 -6.96416 -65.338 184.465 -65.339 -173.127 -26.7353 184.465 -26.7347 -347.656 GPRESSURE: 2819200 -6.28548 -15.6166 148.455 -78.7141 -186.938 -35.6691 144.638 125.432 -251.017 PRESSAVG: 2819200 4.21975 -26.1752 43.1107 -26.1752 -9.79897 -28.6041 43.1107 -28.6041 14.7242 GPRESSAVG: 2819200 4.94443 -26.9215 39.884 -24.6133 -9.95649 -29.2875 43.8435 -27.4646 14.4736 TIMING: 2819200 CPU: 8910.7, 0.00312452/step Wall: 8910.7, 0.00312452/step, 1.89276 hours remaining, 238.355469 MB of memory in use. ENERGY: 2819200 3907.1370 20633.2709 14493.4378 270.7601 -202906.6971 2444.6242 0.0000 0.0000 51886.6518 -109270.8154 298.1933 -161157.4671 -108905.0035 299.5358 -175.9158 -148.0801 762541.1887 3.0483 3.1538 PRESSURE: 2819400 -151.525 -82.9013 -116.475 -82.9016 -38.4166 206.82 -116.475 206.82 154.948 GPRESSURE: 2819400 -172.52 15.2856 -97.9925 -153.695 35.7013 285.41 -165.931 216.197 176.444 PRESSAVG: 2819400 42.9832 -9.45357 43.4541 -9.45358 -21.0702 -48.15 43.4541 -48.15 8.03101 GPRESSAVG: 2819400 42.0272 -10.5802 42.4525 -11.8971 -20.6471 -48.0921 44.2025 -46.7024 8.62498 TIMING: 2819400 CPU: 8911.33, 0.00314283/step Wall: 8911.33, 0.00314283/step, 1.90368 hours remaining, 238.355469 MB of memory in use. ENERGY: 2819400 3949.7494 20468.9299 14496.0472 256.1730 -202951.5362 2463.2247 0.0000 0.0000 51865.6717 -109451.7401 298.0727 -161317.4119 -109078.9265 299.2132 -11.6645 13.2085 762206.9226 9.9813 10.0017 PRESSURE: 2819600 -452.759 53.5884 -69.3667 53.5891 -106.915 -125.861 -69.3672 -125.86 -25.5195 GPRESSURE: 2819600 -444.138 46.6344 24.4916 109.165 -5.65176 -72.9672 103.455 34.3044 -60.5984 PRESSAVG: 2819600 -27.1112 -51.3673 59.8003 -51.3672 28.0252 10.9201 59.8003 10.9201 -13.1706 GPRESSAVG: 2819600 -28.3241 -50.467 59.8908 -51.3983 28.0605 10.8502 61.0447 10.8742 -12.1487 TIMING: 2819600 CPU: 8911.96, 0.0031309/step Wall: 8911.96, 0.0031309/step, 1.89628 hours remaining, 238.355469 MB of memory in use. ENERGY: 2819600 3959.8301 20675.7424 14433.6394 254.2946 -203254.9712 2369.7147 0.0000 0.0000 52013.6727 -109548.0772 298.9233 -161561.7499 -109191.3194 299.0792 -195.0645 -170.1294 760703.1601 -4.0855 -4.1375 PRESSURE: 2819800 -232.255 -245.193 66.7817 -245.193 -246.365 -160.534 66.7815 -160.536 24.3341 GPRESSURE: 2819800 -202.679 -315.581 33.7066 -234.372 -154.024 -125.798 108.903 7.39144 14.0603 PRESSAVG: 2819800 -11.2009 -30.0291 3.00597 -30.029 20.6012 10.3531 3.00593 10.3531 -3.90953 GPRESSAVG: 2819800 -9.80296 -31.8959 4.73571 -29.8451 21.0431 9.9781 1.11706 8.34621 -6.48079 TIMING: 2819800 CPU: 8912.59, 0.00313092/step Wall: 8912.59, 0.00313092/step, 1.89612 hours remaining, 238.355469 MB of memory in use. ENERGY: 2819800 4015.2509 20552.0474 14418.6056 236.5900 -203166.8211 2389.4204 0.0000 0.0000 52005.2202 -109549.6866 298.8747 -161554.9068 -109184.3537 298.7940 -151.4286 -114.2140 761521.6292 1.8303 1.5864 PRESSURE: 2820000 185.427 -146.083 32.7781 -146.083 -179.467 130.286 32.7787 130.286 -80.6732 GPRESSURE: 2820000 236.296 -65.5167 -14.0317 -78.5158 -179.689 118.093 185.178 79.8956 -43.6445 PRESSAVG: 2820000 43.4469 -27.9847 25.9184 -27.9847 -11.045 15.2762 25.9184 15.2762 4.04526 GPRESSAVG: 2820000 43.5058 -26.3663 25.962 -26.7816 -10.6454 15.7794 28.8598 15.8485 4.14292 TIMING: 2820000 CPU: 8913.22, 0.00316881/step Wall: 8913.22, 0.00316881/step, 1.91889 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2820000 4021.5882 20515.5991 14524.4151 267.0889 -203462.7187 2480.8785 0.0000 0.0000 51924.8767 -109728.2721 298.4130 -161653.1488 -109367.2220 298.7827 -24.9042 4.3210 761990.8022 12.1491 12.3345 PRESSURE: 2820200 100.835 71.1258 120.568 71.1255 50.0323 -92.3902 120.569 -92.3889 -132.327 GPRESSURE: 2820200 92.1361 -3.51336 155.086 -0.635372 144.003 -74.7739 -1.43992 -155.579 -136.697 PRESSAVG: 2820200 5.87322 34.3281 24.2853 34.3281 -3.00288 -18.9297 24.2853 -18.9297 -32.0154 GPRESSAVG: 2820200 5.37904 34.8156 24.4142 33.7933 -3.28102 -18.0566 23.4686 -19.2778 -31.2483 TIMING: 2820200 CPU: 8913.85, 0.0031518/step Wall: 8913.85, 0.0031518/step, 1.90842 hours remaining, 238.355469 MB of memory in use. ENERGY: 2820200 4029.9601 20448.3654 14360.5532 251.7366 -203375.7549 2496.0184 0.0000 0.0000 51940.1085 -109849.0127 298.5005 -161789.1212 -109489.9961 298.2414 6.1801 33.1476 761830.4748 -9.7150 -9.7168 LDB: ============= START OF LOAD BALANCING ============== 8926.25 LDB: ============== END OF LOAD BALANCING =============== 8926.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8926.25 LDB: ============= START OF LOAD BALANCING ============== 8926.57 LDB: Largest compute 7077 load 0.033659 is 17.2% of average load 0.196010 LDB: Average compute 0.004378 is 2.2% of average load 0.196010 LDB: TIME 8926.57 LOAD: AVG 0.19601 MAX 0.215312 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 8926.57 LOAD: AVG 0.19601 MAX 0.215312 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 8926.57 LOAD: AVG 0.19601 MAX 0.215312 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: ============== END OF LOAD BALANCING =============== 8926.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8926.58 PRESSURE: 2820400 108.99 -112.221 -6.01334 -112.222 220.171 233.308 -6.01325 233.306 -274.651 GPRESSURE: 2820400 108.676 -55.8929 -125.676 -81.5315 230.431 227.166 -29.0769 272.191 -215.627 PRESSAVG: 2820400 -19.9397 -34.9695 30.8517 -34.9695 93.8432 -48.4545 30.8518 -48.4545 -3.01964 GPRESSAVG: 2820400 -20.0542 -38.154 30.5996 -32.7673 93.5991 -49.408 28.3984 -47.8654 -1.70979 TIMING: 2820400 CPU: 8914.49, 0.00322492/step Wall: 8914.49, 0.00322492/step, 1.95251 hours remaining, 238.355469 MB of memory in use. ENERGY: 2820400 4015.5214 20513.0984 14491.6147 245.6126 -203662.5390 2503.0129 0.0000 0.0000 51981.3835 -109912.2955 298.7377 -161893.6791 -109545.9562 298.0229 18.1700 41.1600 760877.7496 23.6279 23.9451 PRESSURE: 2820600 -446.414 -4.57746 84.238 -4.57788 -159.12 -13.6173 84.2389 -13.6182 -146.065 GPRESSURE: 2820600 -382.105 -28.9881 76.5169 -64.7519 -165.272 -116.527 71.0541 4.61365 -119.156 PRESSAVG: 2820600 -40.0978 -27.9771 10.2837 -27.9772 7.02109 -34.9539 10.2837 -34.9538 2.18602 GPRESSAVG: 2820600 -39.9472 -26.0892 10.6286 -27.8008 7.01217 -35.3348 12.1813 -34.0964 2.44001 TIMING: 2820600 CPU: 8915.12, 0.00314528/step Wall: 8915.12, 0.00314528/step, 1.90412 hours remaining, 238.558594 MB of memory in use. ENERGY: 2820600 3871.1060 20522.7394 14541.1061 262.4353 -203302.9175 2511.4346 0.0000 0.0000 51583.4809 -110010.6152 296.4510 -161594.0961 -109653.0164 297.9590 -250.5329 -222.1779 762563.1882 -10.2969 -10.1650 PRESSURE: 2820800 -184.09 -24.1123 -44.9359 -24.1137 -86.5917 -141.347 -44.9365 -141.346 -80.2946 GPRESSURE: 2820800 -106.889 -1.58704 -46.8361 -31.0772 -111.472 -117.133 -33.2435 -105.999 -54.8094 PRESSAVG: 2820800 -7.51481 -97.681 19.8889 -97.681 11.2003 -4.39553 19.889 -4.39542 -3.98687 GPRESSAVG: 2820800 -6.72465 -98.6173 19.435 -99.2986 11.8689 -2.55833 20.2429 -5.02539 -5.58301 TIMING: 2820800 CPU: 8915.75, 0.00315113/step Wall: 8915.75, 0.00315113/step, 1.90748 hours remaining, 238.558594 MB of memory in use. ENERGY: 2820800 3949.8821 20515.2268 14422.6187 257.8947 -202962.9758 2154.1887 0.0000 0.0000 51599.8534 -110063.3114 296.5451 -161663.1647 -109713.1146 297.4759 -116.9921 -91.0565 762656.5881 -0.1004 -0.1463 PRESSURE: 2821000 -49.2969 -59.2231 -113.72 -59.2224 50.7876 -9.01845 -113.721 -9.01752 104.948 GPRESSURE: 2821000 -20.4803 -242.233 -106.561 5.0493 58.3429 22.8039 -57.9221 103.81 171.987 PRESSAVG: 2821000 20.1841 -23.4366 38.5908 -23.4366 -15.1181 43.3578 38.5909 43.3578 -24.8401 GPRESSAVG: 2821000 19.8229 -22.4268 40.2124 -24.8469 -15.0608 43.1325 36.0188 42.8676 -23.6509 TIMING: 2821000 CPU: 8916.38, 0.00313212/step Wall: 8916.38, 0.00313212/step, 1.8958 hours remaining, 238.558594 MB of memory in use. ENERGY: 2821000 3949.5095 20422.4533 14422.2641 237.5865 -203596.2670 2725.4028 0.0000 0.0000 51910.9132 -109928.1375 298.3327 -161839.0507 -109564.8013 297.5228 35.4797 69.9498 760184.2067 -6.5914 -6.2963 PRESSURE: 2821200 -214.574 25.7453 108.8 25.7452 -230.059 83.8745 108.801 83.8742 -522.079 GPRESSURE: 2821200 -172.482 115.715 106.127 -16.8697 -204.69 240.592 197.932 88.6362 -484.688 PRESSAVG: 2821200 14.6893 -27.6712 42.1378 -27.6712 -1.78677 73.7801 42.1378 73.7801 -0.951261 GPRESSAVG: 2821200 15.0342 -28.0242 41.2162 -26.0619 -1.60143 75.1384 42.9756 74.6915 -1.72601 TIMING: 2821200 CPU: 8917.01, 0.00314855/step Wall: 8917.01, 0.00314855/step, 1.90557 hours remaining, 238.558594 MB of memory in use. ENERGY: 2821200 3981.4898 20581.7549 14411.4149 237.8167 -203057.7122 2236.0718 0.0000 0.0000 51576.6362 -110032.5279 296.4116 -161609.1641 -109678.7483 297.6050 -322.2370 -287.2867 761002.7996 3.9838 3.9023 PRESSURE: 2821400 197.753 -58.8053 32.2931 -58.8064 107.737 203.469 32.2927 203.469 -91.8794 GPRESSURE: 2821400 143.5 -8.92444 -84.6608 -8.69696 174.437 264.064 24.518 186.282 5.06246 PRESSAVG: 2821400 40.571 -75.4853 21.6178 -75.4854 -18.3858 73.0081 21.6178 73.0081 12.2665 GPRESSAVG: 2821400 40.6996 -75.3237 20.9988 -75.0475 -18.9419 72.8107 22.861 71.5012 12.96 TIMING: 2821400 CPU: 8917.64, 0.00314486/step Wall: 8917.64, 0.00314486/step, 1.90317 hours remaining, 238.558594 MB of memory in use. ENERGY: 2821400 4032.3931 20478.9478 14581.6815 252.8048 -203662.0491 2581.3187 0.0000 0.0000 51881.8128 -109853.0903 298.1655 -161734.9031 -109494.2287 298.0324 71.2037 107.6665 760265.7376 11.4839 11.5726 PRESSURE: 2821600 -92.5324 185.605 -10.0343 185.606 -192.108 0.789494 -10.0331 0.788937 105.42 GPRESSURE: 2821600 -22.1217 78.4183 14.8121 271.643 -134.275 -15.4948 -36.3806 23.9451 44.6435 PRESSAVG: 2821600 62.8954 -21.7072 23.7769 -21.7073 -17.2871 4.74412 23.7769 4.74407 10.0421 GPRESSAVG: 2821600 63.1028 -23.0001 24.4516 -21.7774 -17.5574 3.5575 20.9372 4.69831 10.4939 TIMING: 2821600 CPU: 8918.27, 0.00314741/step Wall: 8918.27, 0.00314741/step, 1.90453 hours remaining, 238.558594 MB of memory in use. ENERGY: 2821600 3994.1257 20409.3776 14526.1020 244.8519 -202822.8359 2096.8621 0.0000 0.0000 51912.6247 -109638.8918 298.3426 -161551.5165 -109276.2101 298.8256 -59.7401 -37.2510 760912.5382 18.5501 18.6798 PRESSURE: 2821800 -32.4142 -19.095 10.1779 -19.095 -163.405 33.6608 10.1775 33.662 134.213 GPRESSURE: 2821800 55.5269 -70.4043 77.4334 3.21714 -121.233 4.06259 28.8036 101.693 67.6942 PRESSAVG: 2821800 14.8516 -20.4648 -19.6442 -20.4648 -16.8657 2.50342 -19.6441 2.50347 14.4784 GPRESSAVG: 2821800 14.8106 -18.654 -19.949 -20.93 -14.7583 3.00602 -18.0385 0.236357 13.2751 TIMING: 2821800 CPU: 8918.9, 0.003181/step Wall: 8918.9, 0.003181/step, 1.92468 hours remaining, 238.558594 MB of memory in use. ENERGY: 2821800 3935.5606 20511.7221 14515.2679 257.9816 -202746.6432 2160.6593 0.0000 0.0000 51722.4913 -109642.9604 297.2499 -161365.4517 -109284.8646 298.2699 -20.5354 0.6626 759910.9183 4.1548 4.4425 PRESSURE: 2822000 137.356 -99.7113 58.5069 -99.7104 -92.6624 105.049 58.5067 105.048 200.512 GPRESSURE: 2822000 203.374 49.0962 157.686 -163.47 -69.1319 166.093 22.648 165.969 181.632 PRESSAVG: 2822000 91.1913 -7.56125 -15.3213 -7.56128 -92.6158 -11.9166 -15.3213 -11.9167 14.7641 GPRESSAVG: 2822000 90.6928 -7.96936 -14.7445 -9.0252 -92.829 -13.6381 -14.1736 -9.65458 15.4182 TIMING: 2822000 CPU: 8919.54, 0.00317827/step Wall: 8919.54, 0.00317827/step, 1.92285 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2822000 3966.9394 20535.2386 14443.2041 258.8225 -203061.2860 2275.3413 0.0000 0.0000 51971.3295 -109610.4105 298.6799 -161581.7400 -109250.7639 298.6588 81.7352 105.2913 759553.1406 4.4465 4.4273 PRESSURE: 2822200 166.793 53.8187 8.79661 53.819 -201.226 17.8507 8.79677 17.8506 -79.8769 GPRESSURE: 2822200 153.123 -19.0073 -13.5197 77.0625 -114.931 70.9441 28.2163 70.5805 -56.4768 PRESSAVG: 2822200 60.3514 -46.0605 -13.6288 -46.0605 -38.957 -42.1081 -13.6288 -42.108 1.32065 GPRESSAVG: 2822200 60.63 -46.1337 -15.6939 -45.8264 -38.8801 -40.3569 -11.8274 -42.2618 1.75522 TIMING: 2822200 CPU: 8920.17, 0.00314723/step Wall: 8920.17, 0.00314723/step, 1.9039 hours remaining, 238.558594 MB of memory in use. ENERGY: 2822200 3958.4978 20333.8656 14493.5732 259.8539 -203247.6485 2327.7869 0.0000 0.0000 52168.1749 -109705.8963 299.8112 -161874.0712 -109346.3316 298.7414 -38.1030 -6.0948 759415.3974 7.5717 7.8350 PRESSURE: 2822400 18.851 -81.9481 -274.458 -81.9479 -253.444 -47.9454 -274.458 -47.946 -376.932 GPRESSURE: 2822400 22.7347 -49.0607 -246.221 -17.7637 -251.602 -112.194 -64.6407 -27.0531 -280.453 PRESSAVG: 2822400 -2.29777 -52.6493 12.8284 -52.6492 38.5491 28.606 12.8285 28.606 -7.70683 GPRESSAVG: 2822400 -1.87785 -51.4153 12.7595 -50.4237 38.4175 27.7786 10.223 28.1162 -7.27399 TIMING: 2822400 CPU: 8920.8, 0.00315147/step Wall: 8920.8, 0.00315147/step, 1.90629 hours remaining, 238.558594 MB of memory in use. ENERGY: 2822400 3937.1929 20589.0756 14476.2929 247.2940 -203196.0575 2306.8246 0.0000 0.0000 51683.9969 -109955.3806 297.0286 -161639.3775 -109607.8090 298.3083 -203.8417 -169.7734 761579.1305 9.5148 9.7552 PRESSURE: 2822600 152.462 116.216 50.7746 116.215 -663.982 276.639 50.7752 276.639 -611.663 GPRESSURE: 2822600 109.325 63.2596 -148.725 172.603 -544.073 208.269 -34.3449 300.81 -605.875 PRESSAVG: 2822600 27.0117 -55.2817 52.535 -55.2816 -13.0461 11.7851 52.535 11.7851 18.4742 GPRESSAVG: 2822600 26.4649 -54.989 52.9127 -57.4432 -12.7274 12.2638 53.2258 10.8007 18.3621 TIMING: 2822600 CPU: 8921.43, 0.00314947/step Wall: 8921.43, 0.00314947/step, 1.9049 hours remaining, 238.558594 MB of memory in use. ENERGY: 2822600 3947.4916 20430.0665 14449.2637 260.5243 -203153.3316 2091.9249 0.0000 0.0000 51711.1678 -110262.8929 297.1848 -161974.0607 -109910.1519 297.7958 -374.3942 -346.8744 761689.2513 10.8133 10.6999 PRESSURE: 2822800 -466.939 -55.7145 -336.592 -55.715 -130.42 -254.617 -336.592 -254.618 -295.935 GPRESSURE: 2822800 -399.001 -56.9885 -321.104 -54.5362 -133.277 -349.196 -303.431 -205.437 -276.83 PRESSAVG: 2822800 -30.7541 -11.6785 74.7342 -11.6785 28.1175 17.0314 74.7343 17.0313 -6.39641 GPRESSAVG: 2822800 -30.8425 -14.2527 74.7535 -11.0957 27.2618 16.9874 76.5716 17.3339 -5.98266 TIMING: 2822800 CPU: 8922.06, 0.00314831/step Wall: 8922.06, 0.00314831/step, 1.90403 hours remaining, 238.558594 MB of memory in use. ENERGY: 2822800 3999.0929 20572.7453 14485.8971 242.1599 -203940.3279 2484.9816 0.0000 0.0000 51680.1669 -110475.2843 297.0066 -162155.4512 -110115.0405 297.2732 -297.7648 -269.7026 759631.5749 -3.0110 -3.1878 PRESSURE: 2823000 -150.038 30.5216 280.047 30.5219 -186.245 -365.327 280.046 -365.326 97.0004 GPRESSURE: 2823000 -163.823 -28.5605 307.35 -25.7924 -143.761 -422.821 268.884 -191.635 146.627 PRESSAVG: 2823000 -15.5966 -56.1734 23.9571 -56.1734 20.65 14.2255 23.9571 14.2255 6.53965 GPRESSAVG: 2823000 -15.3182 -54.7875 24.2373 -57.493 20.884 14.385 23.2337 15.5441 6.65618 TIMING: 2823000 CPU: 8922.69, 0.00313793/step Wall: 8922.69, 0.00313792/step, 1.89757 hours remaining, 238.558594 MB of memory in use. ENERGY: 2823000 3995.3537 20423.9116 14455.2880 243.3697 -203670.4328 2216.9815 0.0000 0.0000 51873.0825 -110462.4459 298.1153 -162335.5284 -110105.9575 297.4796 -79.7608 -53.6523 759624.4976 3.8643 4.0740 PRESSURE: 2823200 -306.144 -177.08 320.522 -177.08 -271.22 -19.3961 320.522 -19.3957 -157.897 GPRESSURE: 2823200 -330.757 -137.368 263.765 -186.404 -225.887 22.4895 157.03 15.3539 -105.469 PRESSAVG: 2823200 -50.7513 0.277062 14.5381 0.277081 53.162 -33.5548 14.5381 -33.5547 20.6751 GPRESSAVG: 2823200 -51.2056 -0.373165 15.5536 1.77139 52.4472 -34.263 12.9967 -33.4694 21.6735 TIMING: 2823200 CPU: 8923.32, 0.00316909/step Wall: 8923.32, 0.00316909/step, 1.91624 hours remaining, 238.558594 MB of memory in use. ENERGY: 2823200 3988.8235 20514.3953 14501.4608 249.9236 -203819.5390 2226.4469 0.0000 0.0000 51780.9551 -110557.5338 297.5859 -162338.4889 -110205.4489 297.2303 -245.0869 -220.7042 760661.7501 7.6952 7.6384 PRESSURE: 2823400 -115.875 -132.399 -73.9556 -132.398 -16.5368 56.3568 -73.9557 56.357 -449.935 GPRESSURE: 2823400 19.5655 -171.687 30.3979 -142.629 -6.08655 158.038 -80.6913 14.2619 -509.847 PRESSAVG: 2823400 -10.1293 -17.5239 -7.9625 -17.5239 1.00537 14.9922 -7.96254 14.9922 -2.60779 GPRESSAVG: 2823400 -10.2964 -19.4959 -7.72789 -15.9194 2.29345 15.8478 -7.56179 13.1008 -3.46189 TIMING: 2823400 CPU: 8923.95, 0.00315733/step Wall: 8923.95, 0.00315733/step, 1.90896 hours remaining, 238.558594 MB of memory in use. ENERGY: 2823400 3983.4746 20427.8108 14456.6697 244.9984 -203995.5578 2415.1434 0.0000 0.0000 51718.5475 -110748.9135 297.2272 -162467.4610 -110388.6710 296.8263 -194.1156 -165.4562 759606.9002 -3.9106 -3.8216 PRESSURE: 2823600 116.297 -170.017 -179.679 -170.017 140.274 172.772 -179.679 172.772 -209.357 GPRESSURE: 2823600 122.59 20.4383 -173.609 -202.642 120.182 179.325 -205.989 192.276 -113.691 PRESSAVG: 2823600 12.8771 -46.8392 -27.5149 -46.8392 26.2965 15.4301 -27.515 15.43 18.7314 GPRESSAVG: 2823600 14.0149 -46.7133 -29.0362 -46.3958 25.1977 13.9006 -25.5231 17.8647 18.8147 TIMING: 2823600 CPU: 8924.58, 0.00314075/step Wall: 8924.58, 0.00314075/step, 1.89876 hours remaining, 238.558594 MB of memory in use. ENERGY: 2823600 4016.5953 20393.3156 14481.7493 260.6483 -203937.3180 2671.4915 0.0000 0.0000 51542.8052 -110570.7128 296.2172 -162113.5180 -110218.5740 296.5326 15.7380 43.0270 759367.7879 19.3017 19.3424 PRESSURE: 2823800 79.9074 117.478 -199.125 117.478 101.243 90.7116 -199.125 90.7118 -93.3337 GPRESSURE: 2823800 106.666 -6.22383 -215.194 82.6403 78.4266 39.806 -25.8878 155.459 8.0581 PRESSAVG: 2823800 23.3305 0.283697 16.6145 0.283697 -71.6239 -5.59606 16.6145 -5.59599 -0.900797 GPRESSAVG: 2823800 21.9685 1.41358 17.4833 -0.824518 -70.1806 -4.90092 16.0421 -6.83683 -0.623892 TIMING: 2823800 CPU: 8925.21, 0.00313588/step Wall: 8925.21, 0.00313588/step, 1.89564 hours remaining, 238.558594 MB of memory in use. ENERGY: 2823800 3959.6856 20473.8679 14476.5655 244.5931 -203759.5889 2594.0635 0.0000 0.0000 51505.4020 -110505.4113 296.0023 -162010.8133 -110148.4652 296.9460 29.2722 64.3837 758855.9849 -16.3980 -16.2787 PRESSURE: 2824000 -282.452 -70.8717 -18.7508 -70.8709 379.752 -34.6855 -18.7504 -34.6858 -139.499 GPRESSURE: 2824000 -171.468 -18.5294 -38.8076 -67.2743 353.443 -106.789 -117.374 -62.9687 -128.151 PRESSAVG: 2824000 38.7174 -12.2398 5.81065 -12.2398 -69.5719 46.0125 5.81057 46.0126 -13.5939 GPRESSAVG: 2824000 39.4668 -10.0977 6.2242 -13.5928 -69.9347 46.1208 4.38703 46.8246 -13.7832 TIMING: 2824000 CPU: 8925.84, 0.00315467/step Wall: 8925.84, 0.00315467/step, 1.90682 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2824000 3958.6785 20370.7716 14432.9198 246.9120 -203767.2641 2515.7363 0.0000 0.0000 51710.0186 -110532.2273 297.1782 -162242.2459 -110176.1668 297.0620 -14.0665 17.9413 759199.4734 -14.8161 -14.7504 PRESSURE: 2824200 203.959 175.078 -102.375 175.079 -110.806 -72.7654 -102.375 -72.7649 90.3246 GPRESSURE: 2824200 318.008 148.415 -171.659 194.887 -174.388 -16.8339 -68.5378 -58.3333 126.253 PRESSAVG: 2824200 46.069 63.1004 -13.4842 63.1003 -34.0359 -3.82449 -13.4841 -3.8245 25.094 GPRESSAVG: 2824200 46.2802 61.5431 -14.0387 65.6356 -34.4462 -3.00461 -12.3144 -4.06073 25.4358 TIMING: 2824200 CPU: 8926.47, 0.00314543/step Wall: 8926.47, 0.00314543/step, 1.90106 hours remaining, 238.558594 MB of memory in use. ENERGY: 2824200 3982.9881 20397.1743 14457.6491 269.0788 -203430.5571 2222.4265 0.0000 0.0000 51636.2387 -110465.0016 296.7542 -162101.2403 -110107.8051 297.0977 61.1592 89.9575 760531.0756 12.3757 12.4233 LDB: ============= START OF LOAD BALANCING ============== 8938.87 LDB: ============== END OF LOAD BALANCING =============== 8938.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8938.87 LDB: ============= START OF LOAD BALANCING ============== 8939.19 LDB: Largest compute 7058 load 0.033778 is 17.2% of average load 0.196070 LDB: Average compute 0.004360 is 2.2% of average load 0.196070 LDB: TIME 8939.19 LOAD: AVG 0.19607 MAX 0.217656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 8939.19 LOAD: AVG 0.19607 MAX 0.217656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 8939.19 LOAD: AVG 0.19607 MAX 0.217656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 8939.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8939.2 PRESSURE: 2824400 284.66 -121.156 -226.611 -121.156 -38.2343 -214.581 -226.611 -214.582 232.306 GPRESSURE: 2824400 242.753 -185.295 -192.951 -73.2157 48.0475 -319.552 -119.975 -248.976 268 PRESSAVG: 2824400 43.2252 0.719379 40.2585 0.719377 -7.83838 -31.2403 40.2584 -31.2403 9.1143 GPRESSAVG: 2824400 42.9109 1.42819 39.224 -1.31961 -8.02448 -31.7068 41.1818 -32.3741 9.71373 TIMING: 2824400 CPU: 8927.12, 0.0032419/step Wall: 8927.12, 0.0032419/step, 1.95919 hours remaining, 238.671875 MB of memory in use. ENERGY: 2824400 3930.3335 20455.0958 14448.3652 240.5098 -203684.9017 2417.9694 0.0000 0.0000 51750.2315 -110442.3966 297.4093 -162192.6281 -110081.4248 297.4140 159.5774 186.2667 758784.1128 14.8337 14.8667 PRESSURE: 2824600 -38.4829 137.654 -163.319 137.654 -88.7956 67.9852 -163.319 67.9847 -215.313 GPRESSURE: 2824600 93.8286 140.29 -109.563 2.02698 -102.426 140.622 26.8175 150.623 -255.667 PRESSAVG: 2824600 21.0335 6.32286 -8.42651 6.32283 -5.24802 -26.2264 -8.42655 -26.2264 -25.5209 GPRESSAVG: 2824600 20.9858 3.63423 -8.03554 5.93171 -5.98138 -26.1776 -9.46739 -24.1971 -24.9232 TIMING: 2824600 CPU: 8927.75, 0.00315571/step Wall: 8927.75, 0.0031557/step, 1.90692 hours remaining, 238.738281 MB of memory in use. ENERGY: 2824600 3916.4681 20581.6277 14460.5399 236.1174 -203769.1398 2572.4136 0.0000 0.0000 51661.0331 -110340.9399 296.8967 -162001.9730 -109980.1190 297.4473 -114.1971 -88.0881 760943.6831 -3.2451 -3.3063 PRESSURE: 2824800 -141.5 -112.537 -12.7192 -112.537 -141.72 -206.605 -12.7192 -206.604 358.162 GPRESSURE: 2824800 -70.718 19.0813 -22.6362 -100.333 -82.307 -157.472 29.5881 -288.172 304.782 PRESSAVG: 2824800 -16.0552 -31.1968 -26.4196 -31.1968 1.9149 8.12685 -26.4195 8.12685 -2.57134 GPRESSAVG: 2824800 -16.2675 -29.9035 -26.7626 -31.2991 1.878 6.90451 -24.14 7.57781 -2.8412 TIMING: 2824800 CPU: 8928.38, 0.00315084/step Wall: 8928.38, 0.00315084/step, 1.90381 hours remaining, 238.738281 MB of memory in use. ENERGY: 2824800 4026.6427 20412.6367 14480.8221 248.2331 -203538.1882 2441.5680 0.0000 0.0000 51730.4604 -110197.8251 297.2957 -161928.2856 -109837.3390 297.4590 24.9803 50.5858 760050.4795 -5.5705 -5.7436 PRESSURE: 2825000 -137.114 -192.834 51.403 -192.835 43.7765 -359.351 51.4025 -359.352 107.155 GPRESSURE: 2825000 -124.388 -276.534 149.834 -143.927 49.876 -338.651 -76.9531 -306.838 180.324 PRESSAVG: 2825000 -22.6559 11.9189 27.7624 11.9189 11.653 -21.2249 27.7624 -21.2249 0.665824 GPRESSAVG: 2825000 -22.4909 8.65172 29.9084 14.7788 11.8581 -18.6834 24.4237 -20.7095 0.743524 TIMING: 2825000 CPU: 8929.01, 0.00315891/step Wall: 8929.01, 0.00315891/step, 1.90851 hours remaining, 238.738281 MB of memory in use. ENERGY: 2825000 4033.1721 20390.7974 14461.5338 252.0064 -203613.9149 2356.6791 0.0000 0.0000 51865.1209 -110254.6052 298.0696 -162119.7261 -109892.1990 297.5016 4.6059 35.2706 758791.9526 -3.4457 -3.2964 PRESSURE: 2825200 -47.8104 179.834 -59.2488 179.834 -68.0779 -31.5898 -59.2491 -31.5911 -250.482 GPRESSURE: 2825200 43.9624 262.685 -62.1984 115.916 -146.667 -66.5126 -37.3831 5.5147 -169.038 PRESSAVG: 2825200 27.5495 -69.6687 16.6505 -69.6687 15.6852 -53.8165 16.6505 -53.8165 27.5194 GPRESSAVG: 2825200 27.8401 -65.3303 15.0297 -71.5297 16.241 -55.2882 15.4756 -54.7655 26.4885 TIMING: 2825200 CPU: 8929.64, 0.00315006/step Wall: 8929.64, 0.00315006/step, 1.90299 hours remaining, 238.738281 MB of memory in use. ENERGY: 2825200 3967.2048 20504.7653 14426.2460 245.3278 -203184.3328 2143.2778 0.0000 0.0000 51994.3258 -109903.1853 298.8121 -161897.5111 -109543.2752 297.8919 -122.1234 -90.5808 758933.8813 23.5847 23.5232 PRESSURE: 2825400 -414.596 -94.0522 108.833 -94.0521 58.973 28.4368 108.833 28.4367 -23.6646 GPRESSURE: 2825400 -243.892 -69.108 82.4231 -37.4281 78.4278 19.4306 155.174 67.4888 -110.619 PRESSAVG: 2825400 -11.4757 16.265 -23.9653 16.265 17.4604 -15.3234 -23.9652 -15.3235 9.18321 GPRESSAVG: 2825400 -11.7303 13.3111 -22.4395 16.8643 17.9258 -13.3273 -24.3182 -15.4014 9.29332 TIMING: 2825400 CPU: 8930.27, 0.00315618/step Wall: 8930.27, 0.00315618/step, 1.90651 hours remaining, 238.738281 MB of memory in use. ENERGY: 2825400 3990.0217 20419.2261 14453.4437 222.9313 -203749.7527 2739.0219 0.0000 0.0000 51945.4736 -109979.6345 298.5314 -161925.1081 -109621.6975 298.0793 -126.4291 -92.0277 761528.0152 5.0560 5.1629 PRESSURE: 2825600 25.996 -116.937 -238.497 -116.936 101.113 -52.7651 -238.496 -52.766 -267.252 GPRESSURE: 2825600 46.5734 -68.1194 -278.723 -194.778 172.377 -50.8834 -312.981 -21.3198 -243.818 PRESSAVG: 2825600 -9.0379 -5.83029 13.0979 -5.83038 17.6352 -13.8335 13.0979 -13.8336 14.878 GPRESSAVG: 2825600 -9.18319 -3.79572 12.2486 -5.11508 16.8475 -15.1848 15.3764 -14.4336 15.715 TIMING: 2825600 CPU: 8930.9, 0.00313724/step Wall: 8930.9, 0.00313724/step, 1.89489 hours remaining, 238.738281 MB of memory in use. ENERGY: 2825600 4000.9793 20474.9711 14488.7595 261.5924 -203726.2387 2648.7747 0.0000 0.0000 51938.9496 -109912.2122 298.4939 -161851.1618 -109557.1905 298.1474 -46.7145 -8.2893 760562.1858 7.8251 7.7931 PRESSURE: 2825800 47.9946 -166.554 191.926 -166.554 -156.109 35.5491 191.926 35.5495 -370.239 GPRESSURE: 2825800 124.691 -103.556 171.402 -129.963 -137.822 -59.9315 246.793 209.539 -369.456 PRESSAVG: 2825800 1.57921 -47.1545 -31.1158 -47.1545 -67.3446 -16.5712 -31.1159 -16.5713 12.4499 GPRESSAVG: 2825800 1.19338 -46.5452 -28.7628 -48.8518 -67.3877 -16.9552 -32.8117 -15.6697 12.429 TIMING: 2825800 CPU: 8931.53, 0.00315517/step Wall: 8931.53, 0.00315517/step, 1.90555 hours remaining, 238.738281 MB of memory in use. ENERGY: 2825800 3994.6201 20514.5160 14523.8179 259.2188 -203191.0336 2301.2616 0.0000 0.0000 51891.1480 -109706.4512 298.2191 -161597.5992 -109345.1221 298.3365 -159.4512 -127.5289 760411.5286 -17.7718 -17.9218 PRESSURE: 2826000 -61.7409 -191.079 84.981 -191.08 -76.4384 -163.083 84.9818 -163.083 -39.152 GPRESSURE: 2826000 -23.1256 -109.894 31.4345 -246.489 -52.0133 -105.256 125.603 -125.419 -35.8857 PRESSAVG: 2826000 11.4632 -23.2993 56.7959 -23.2993 -34.5475 -35.3414 56.7959 -35.3414 3.59146 GPRESSAVG: 2826000 11.7958 -23.622 54.471 -24.5268 -34.4115 -35.4281 57.1588 -34.1451 3.48453 TIMING: 2826000 CPU: 8932.16, 0.00314369/step Wall: 8932.16, 0.00314369/step, 1.89844 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2826000 3969.1469 20611.8700 14514.5942 246.6756 -203560.0137 2556.1099 0.0000 0.0000 51761.2655 -109900.3516 297.4727 -161661.6172 -109542.4961 298.5997 -59.1104 -37.0082 761371.0227 -6.4976 -6.3771 PRESSURE: 2826200 -204.101 208.822 -37.3458 208.821 -324.449 -76.6602 -37.3456 -76.659 69.6133 GPRESSURE: 2826200 -211.025 248.862 -1.69556 106.09 -224.886 -72.4019 -41.3283 -218.071 41.792 PRESSAVG: 2826200 44.7349 5.42133 0.935646 5.42134 39.5985 -50.2272 0.935609 -50.2273 -3.54051 GPRESSAVG: 2826200 44.008 7.76984 -0.274931 7.40345 40.4697 -49.7516 2.20016 -51.6792 -3.89675 TIMING: 2826200 CPU: 8932.78, 0.00313392/step Wall: 8932.78, 0.00313392/step, 1.89237 hours remaining, 238.738281 MB of memory in use. ENERGY: 2826200 4042.9622 20531.1150 14513.6108 246.1104 -203574.5750 2541.2267 0.0000 0.0000 51783.7356 -109915.8142 297.6018 -161699.5498 -109563.3551 297.8174 -152.9786 -131.3729 760280.3583 26.9310 26.8603 PRESSURE: 2826400 -57.3526 -19.8471 4.74112 -19.8475 -31.1515 -151.427 4.74125 -151.427 -167.747 GPRESSURE: 2826400 -18.0599 -30.9272 -34.4571 22.5744 -42.6234 -110.987 15.8109 12.9921 -121.234 PRESSAVG: 2826400 -11.4674 4.64613 -8.04005 4.64611 49.6202 -4.48314 -8.04006 -4.48305 13.5003 GPRESSAVG: 2826400 -11.0798 2.67976 -6.53707 5.33846 48.8285 -6.29435 -8.33956 -4.13436 13.7148 TIMING: 2826400 CPU: 8933.41, 0.00314281/step Wall: 8933.41, 0.00314281/step, 1.89756 hours remaining, 238.738281 MB of memory in use. ENERGY: 2826400 3979.7367 20468.1493 14444.9447 241.6871 -203637.9126 2614.3043 0.0000 0.0000 52035.8558 -109853.2348 299.0508 -161889.0906 -109497.0857 298.1927 -85.4171 -60.6390 760592.5965 17.2177 17.1545 PRESSURE: 2826600 -83.2777 -7.95181 -111.67 -7.95105 211.318 -170.542 -111.67 -170.542 183.585 GPRESSURE: 2826600 -197.12 -126.788 -141.633 -55.019 344.96 -198.453 -95.6928 -160.344 236.794 PRESSAVG: 2826600 -92.2282 -13.1756 -48.3823 -13.1756 74.559 53.8742 -48.3822 53.8741 -10.4443 GPRESSAVG: 2826600 -92.3499 -13.2098 -48.3117 -13.9777 75.4436 54.9177 -49.5193 53.7432 -10.8632 TIMING: 2826600 CPU: 8934.04, 0.00313698/step Wall: 8934.04, 0.00313698/step, 1.89386 hours remaining, 238.738281 MB of memory in use. ENERGY: 2826600 3960.9767 20388.2858 14480.5908 244.4534 -203420.8425 2552.0665 0.0000 0.0000 51855.7610 -109938.7084 298.0158 -161794.4694 -109584.2266 297.9387 103.8752 128.2115 758693.1400 -9.3712 -9.2565 PRESSURE: 2826800 70.4295 -3.02402 -31.3163 -3.02322 291.007 -5.77598 -31.3168 -5.7759 307.575 GPRESSURE: 2826800 105.192 -93.264 -13.1395 -29.5973 310.131 -22.9095 51.3853 -62.4782 359.41 PRESSAVG: 2826800 -10.0921 -15.067 51.9521 -15.067 12.0668 19.5091 51.9521 19.509 -19.445 GPRESSAVG: 2826800 -9.34534 -17.1443 50.6748 -15.0712 11.6939 20.5826 52.5243 18.5273 -19.3784 TIMING: 2826800 CPU: 8934.67, 0.00312567/step Wall: 8934.67, 0.00312567/step, 1.88687 hours remaining, 238.738281 MB of memory in use. ENERGY: 2826800 3943.8492 20408.7926 14398.9321 221.5860 -203509.1372 2564.9372 0.0000 0.0000 51963.4828 -110007.5572 298.6348 -161971.0401 -109638.8796 297.9945 223.0036 258.2442 759863.6980 -5.8234 -5.6766 PRESSURE: 2827000 112.324 129.022 64.0218 129.023 163.923 -69.95 64.0212 -69.9499 567.836 GPRESSURE: 2827000 137.692 139.124 -14.3156 149.701 249.614 -54.5191 -16.8713 -16.5742 554.811 PRESSAVG: 2827000 4.54688 -6.319 61.8558 -6.31905 4.01829 -9.01903 61.8558 -9.01908 14.8267 GPRESSAVG: 2827000 4.2618 -5.43338 63.4881 -6.10086 4.52783 -9.98969 61.2746 -6.75533 14.3027 TIMING: 2827000 CPU: 8935.29, 0.00313638/step Wall: 8935.29, 0.00313638/step, 1.89316 hours remaining, 238.738281 MB of memory in use. ENERGY: 2827000 3928.0350 20365.8944 14443.1686 233.1383 -203398.3715 2456.4568 0.0000 0.0000 52153.2149 -109818.4634 299.7252 -161971.6784 -109448.9476 298.4819 281.3611 314.0390 759978.6163 7.7973 7.6974 PRESSURE: 2827200 64.1364 -161.538 203.248 -161.537 63.2403 295.667 203.249 295.668 -284.455 GPRESSURE: 2827200 74.2779 15.0192 202.892 -84.0604 73.0792 325.339 319.454 344.79 -226.663 PRESSAVG: 2827200 26.4942 -35.3328 65.7708 -35.3329 -17.5782 18.7601 65.7709 18.7601 -0.384617 GPRESSAVG: 2827200 26.3476 -34.3775 64.4138 -35.3424 -18.8827 19.56 65.248 17.2362 0.86477 TIMING: 2827200 CPU: 8935.92, 0.00313857/step Wall: 8935.92, 0.00313857/step, 1.8943 hours remaining, 238.738281 MB of memory in use. ENERGY: 2827200 3937.4858 20439.1032 14483.4623 242.2542 -203250.9037 2384.5733 0.0000 0.0000 51901.8167 -109862.2082 298.2805 -161764.0250 -109501.2366 298.3246 -52.3593 -26.4353 761659.6804 2.8438 2.7765 PRESSURE: 2827400 -173.021 -119.859 104.725 -119.858 -23.5321 250.606 104.724 250.606 579.396 GPRESSURE: 2827400 -155.025 -244.178 150.016 -45.7839 8.00008 265.422 -35.2146 173.807 604.91 PRESSAVG: 2827400 80.095 14.5533 29.7972 14.5533 -56.6179 -42.4276 29.7971 -42.4275 -22.8947 GPRESSAVG: 2827400 80.2913 13.257 29.594 16.5702 -56.5195 -41.1833 32.2786 -42.2373 -22.7981 TIMING: 2827400 CPU: 8936.55, 0.00313812/step Wall: 8936.55, 0.00313812/step, 1.89385 hours remaining, 238.738281 MB of memory in use. ENERGY: 2827400 3975.2587 20491.2253 14484.7975 253.2455 -203512.2682 2328.9276 0.0000 0.0000 52129.8229 -109848.9907 299.5908 -161978.8135 -109482.9632 298.6701 127.6141 152.6283 759807.9269 0.1941 0.3246 PRESSURE: 2827600 300.332 262.108 -47.2025 262.108 130.936 -132.252 -47.2026 -132.251 -395.027 GPRESSURE: 2827600 311.593 266.973 -114.921 180.867 126.32 -95.4503 -30.9688 -138.475 -339.273 PRESSAVG: 2827600 24.2424 38.7292 15.7391 38.7292 -35.0136 -29.9238 15.7391 -29.9238 20.0025 GPRESSAVG: 2827600 23.5302 39.6031 14.598 36.1003 -33.7694 -32.6223 12.6488 -32.2763 19.0391 TIMING: 2827600 CPU: 8937.18, 0.00313893/step Wall: 8937.18, 0.00313893/step, 1.89417 hours remaining, 238.738281 MB of memory in use. ENERGY: 2827600 4020.8433 20595.3421 14525.7148 248.0829 -203987.5431 2801.9646 0.0000 0.0000 52115.5273 -109680.0680 299.5087 -161795.5953 -109318.1790 298.5528 12.0803 32.8799 760547.8793 3.0771 2.9333 PRESSURE: 2827800 160.128 198.588 278.847 198.59 -45.0152 214.556 278.846 214.555 299.102 GPRESSURE: 2827800 198.544 31.2854 247.562 265.934 -7.34785 230.083 258.188 283.49 299.342 PRESSAVG: 2827800 6.99253 35.6883 -8.90528 35.6884 31.0458 -27.683 -8.9053 -27.6831 3.76419 GPRESSAVG: 2827800 6.84991 36.8913 -9.74085 36.6268 30.1993 -25.8925 -8.19125 -27.168 4.02965 TIMING: 2827800 CPU: 8937.8, 0.00313157/step Wall: 8937.8, 0.00313157/step, 1.88956 hours remaining, 238.738281 MB of memory in use. ENERGY: 2827800 4027.2484 20498.3730 14521.0559 253.6030 -203795.7554 2713.6190 0.0000 0.0000 52121.4962 -109660.3600 299.5430 -161781.8562 -109297.4656 299.2266 138.0715 163.5125 759354.2957 13.9342 13.6929 PRESSURE: 2828000 -271.56 -214.978 9.65924 -214.978 -181.227 -42.223 9.65962 -42.223 -235.299 GPRESSURE: 2828000 -187.655 -53.9967 -67.7182 -211.362 -251.495 10.0199 36.194 -149.162 -165.923 PRESSAVG: 2828000 -0.510753 36.586 46.5833 36.586 -34.6686 -9.36241 46.5833 -9.36248 -4.71552 GPRESSAVG: 2828000 0.503504 36.3679 48.4998 37.1869 -35.7352 -8.51981 46.4629 -9.08163 -4.74778 TIMING: 2828000 CPU: 8938.43, 0.0031419/step Wall: 8938.43, 0.0031419/step, 1.89561 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2828000 3970.5994 20642.7237 14467.4627 250.2116 -202912.3499 2049.8691 0.0000 0.0000 51981.5925 -109549.8910 298.7389 -161531.4835 -109185.8726 299.1096 -229.3618 -201.6911 759331.9806 -13.2983 -13.3265 PRESSURE: 2828200 -215.312 -180.001 143.235 -180.001 -43.785 -294.962 143.234 -294.963 -63.7484 GPRESSURE: 2828200 -49.654 -225.654 157.984 -136.112 -78.9376 -256.06 194.397 -256.511 -100.823 PRESSAVG: 2828200 102.333 2.56148 -4.43587 2.5616 -58.7521 -61.8246 -4.4359 -61.8245 27.8045 GPRESSAVG: 2828200 102.36 -0.92823 -4.27922 3.99335 -59.0011 -63.3766 -3.01942 -58.8446 27.9521 TIMING: 2828200 CPU: 8939.06, 0.00315544/step Wall: 8939.06, 0.00315544/step, 1.90361 hours remaining, 238.738281 MB of memory in use. ENERGY: 2828200 4028.6736 20519.7420 14510.5881 255.6470 -203451.1635 2474.4374 0.0000 0.0000 51988.1447 -109673.9308 298.7766 -161662.0754 -109306.9412 298.9069 -107.6150 -76.4716 759504.7474 23.7952 23.7704 LDB: ============= START OF LOAD BALANCING ============== 8951.46 LDB: ============== END OF LOAD BALANCING =============== 8951.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8951.46 LDB: ============= START OF LOAD BALANCING ============== 8951.78 LDB: Largest compute 7058 load 0.037199 is 19.0% of average load 0.195961 LDB: Average compute 0.004385 is 2.2% of average load 0.195961 LDB: TIME 8951.78 LOAD: AVG 0.195961 MAX 0.215814 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 8951.78 LOAD: AVG 0.195961 MAX 0.215814 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 8951.78 LOAD: AVG 0.195961 MAX 0.215814 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 8951.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8951.79 PRESSURE: 2828400 488.423 327.023 53.8262 327.022 110.83 125.596 53.8269 125.594 -270.994 GPRESSURE: 2828400 598.504 416.127 54.3684 382.507 30.3734 48.5943 -91.2594 210.531 -217.497 PRESSAVG: 2828400 75.5409 19.6689 -8.71366 19.6688 -63.1724 -90.2072 -8.71361 -90.2072 -13.5569 GPRESSAVG: 2828400 75.641 22.4819 -10.9805 19.3228 -62.7426 -88.0952 -9.43801 -91.4626 -13.764 TIMING: 2828400 CPU: 8939.7, 0.00321447/step Wall: 8939.7, 0.00321447/step, 1.93904 hours remaining, 240.007812 MB of memory in use. ENERGY: 2828400 3970.5776 20668.7458 14473.8420 257.7416 -203667.2876 2639.7418 0.0000 0.0000 52097.1754 -109559.4634 299.4032 -161656.6388 -109198.1001 298.6876 109.4195 137.1267 759625.7081 -0.3961 -0.2885 PRESSURE: 2828600 54.0156 30.6202 125.139 30.6211 -97.2579 -154.564 125.14 -154.564 -8.38979 GPRESSURE: 2828600 25.3443 -5.23459 117.878 134.454 16.3839 -235.292 43.436 -234.971 -10.3128 PRESSAVG: 2828600 54.7536 35.2923 27.706 35.2924 -37.4122 14.8991 27.706 14.899 14.9908 GPRESSAVG: 2828600 55.7183 33.9818 30.5833 33.7195 -38.3218 14.9269 27.7853 13.3531 14.5985 TIMING: 2828600 CPU: 8940.34, 0.00317762/step Wall: 8940.34, 0.00317762/step, 1.91663 hours remaining, 240.210938 MB of memory in use. ENERGY: 2828600 4047.1685 20575.3903 14529.5395 241.4014 -203647.0824 2629.8496 0.0000 0.0000 52142.4988 -109481.2344 299.6637 -161623.7332 -109121.1170 299.8609 -17.2107 10.4718 759817.5288 10.7774 10.6650 PRESSURE: 2828800 86.2196 173.31 31.5685 173.311 -14.1359 139.42 31.5689 139.421 229.139 GPRESSURE: 2828800 67.2493 194.789 40.4137 146.06 78.7323 234.789 -41.1893 -3.91856 255.223 PRESSAVG: 2828800 25.9325 61.7466 -17.5606 61.7466 6.67905 14.8196 -17.5605 14.8195 11.2147 GPRESSAVG: 2828800 25.5972 63.84 -17.5344 62.2698 6.5121 14.546 -16.7693 13.4189 11.9229 TIMING: 2828800 CPU: 8940.97, 0.00316168/step Wall: 8940.97, 0.00316168/step, 1.90684 hours remaining, 240.210938 MB of memory in use. ENERGY: 2828800 3959.4298 20537.6547 14551.0438 253.2961 -203702.4096 2598.1542 0.0000 0.0000 51837.9835 -109964.8474 297.9136 -161802.8310 -109596.7667 298.9747 100.4074 133.7349 758689.2591 14.6088 14.6774 PRESSURE: 2829000 150.125 -194.976 284.691 -194.976 -112.177 -48.4338 284.691 -48.4346 -76.797 GPRESSURE: 2829000 180.852 -279.832 372.588 -124.288 -38.1271 24.7713 127.225 -39.1068 -97.7013 PRESSAVG: 2829000 4.69347 -5.38732 9.89238 -5.38729 -22.8618 34.2079 9.89234 34.208 -8.84141 GPRESSAVG: 2829000 2.88195 -5.71671 8.42625 -5.08707 -21.6704 35.4279 11.3743 33.8564 -7.82241 TIMING: 2829000 CPU: 8941.61, 0.00316144/step Wall: 8941.61, 0.00316144/step, 1.90652 hours remaining, 240.210938 MB of memory in use. ENERGY: 2829000 3979.6390 20352.9033 14544.4132 235.3499 -203807.5384 2762.3180 0.0000 0.0000 52006.3095 -109926.6055 298.8810 -161932.9150 -109561.2634 297.9622 -12.9497 15.0077 759463.6548 -9.0032 -8.8703 PRESSURE: 2829200 248.415 72.1645 -43.5935 72.1648 -254.635 73.3326 -43.5933 73.3323 -28.1853 GPRESSURE: 2829200 269.744 -107.378 -30.0027 18.1694 -161.551 47.0894 84.056 66.2611 -71.1879 PRESSAVG: 2829200 12.5291 -56.2408 1.6342 -56.2407 5.93285 4.01921 1.63422 4.01928 22.4441 GPRESSAVG: 2829200 15.2262 -56.157 2.31662 -58.0566 4.98573 1.5521 -1.95283 5.4352 20.4751 TIMING: 2829200 CPU: 8942.23, 0.00314935/step Wall: 8942.23, 0.00314935/step, 1.89906 hours remaining, 240.210938 MB of memory in use. ENERGY: 2829200 3978.0758 20461.5036 14490.5438 243.6327 -203898.3007 2680.1671 0.0000 0.0000 52166.5042 -109877.8734 299.8016 -162044.3777 -109516.1380 298.7730 -11.4686 12.3351 759692.8159 13.6353 13.5623 PRESSURE: 2829400 99.0308 -162.936 -75.235 -162.935 127.054 -123.321 -75.2354 -123.321 117.262 GPRESSURE: 2829400 48.1183 -236.732 -129.685 -165.763 220.916 -88.8201 119.233 -18.3223 156.438 PRESSAVG: 2829400 42.7374 53.6871 -9.31983 53.6871 -57.5279 75.9021 -9.31983 75.9021 -3.11896 GPRESSAVG: 2829400 41.6111 51.7488 -9.04259 56.4267 -55.8466 75.7434 -5.06247 76.9807 -3.80124 TIMING: 2829400 CPU: 8942.86, 0.0031451/step Wall: 8942.86, 0.0031451/step, 1.89632 hours remaining, 240.210938 MB of memory in use. ENERGY: 2829400 4025.0793 20423.2050 14590.9714 231.0459 -203771.9099 2530.3529 0.0000 0.0000 52078.0854 -109893.1699 299.2935 -161971.2553 -109538.7674 298.7750 114.4491 141.8244 761228.5183 -5.9698 -6.0122 PRESSURE: 2829600 114.83 -123.36 -173.948 -123.359 -94.1891 256.99 -173.948 256.99 26.6553 GPRESSURE: 2829600 34.0877 -58.1854 -192.335 -137.783 49.0329 205.728 -128.545 292.607 70.4152 PRESSAVG: 2829600 58.6607 -54.5205 8.2087 -54.5205 -17.2912 59.0618 8.20865 59.0619 -5.41978 GPRESSAVG: 2829600 57.9599 -55.0146 9.327 -53.0539 -17.7173 59.8083 5.27613 57.8054 -3.966 TIMING: 2829600 CPU: 8943.49, 0.00315272/step Wall: 8943.49, 0.00315272/step, 1.90074 hours remaining, 240.210938 MB of memory in use. ENERGY: 2829600 4001.5274 20341.1983 14575.7061 241.9887 -203252.9972 2358.3311 0.0000 0.0000 51801.5614 -109932.6842 297.7043 -161734.2456 -109573.8925 298.4721 15.7655 51.1786 759554.8147 11.9832 12.0922 PRESSURE: 2829800 -51.8601 -57.2479 21.0823 -57.2456 9.43982 79.3293 21.0835 79.3289 115.245 GPRESSURE: 2829800 110.103 -75.8724 -28.4981 -11.1958 -96.8379 121.026 -14.6439 232.057 137.223 PRESSAVG: 2829800 -14.5083 11.9822 19.277 11.9822 -6.41417 76.3296 19.277 76.3297 5.35169 GPRESSAVG: 2829800 -14.1339 16.0732 18.198 8.62726 -6.99142 75.1488 18.4867 78.3606 5.78219 TIMING: 2829800 CPU: 8944.12, 0.0031375/step Wall: 8944.12, 0.0031375/step, 1.89139 hours remaining, 240.210938 MB of memory in use. ENERGY: 2829800 3944.3795 20402.2804 14626.4271 262.0011 -203375.4826 2560.7502 0.0000 0.0000 51574.2257 -110005.4186 296.3978 -161579.6444 -109656.1032 298.1488 24.2749 50.1626 759153.9390 -5.1903 -5.1144 PRESSURE: 2830000 -372.337 84.205 121.055 84.2056 -162.714 53.0227 121.055 53.0224 24.2305 GPRESSURE: 2830000 -279.774 139.506 153.533 146.406 -148.466 110.127 206.017 16.0444 4.12384 PRESSAVG: 2830000 38.0314 23.428 22.4192 23.428 -28.6609 46.0475 22.4192 46.0475 -13.3956 GPRESSAVG: 2830000 39.552 20.8116 23.5085 23.2983 -27.6937 47.161 22.8874 44.1465 -15.1462 TIMING: 2830000 CPU: 8944.75, 0.00314393/step Wall: 8944.75, 0.00314393/step, 1.89509 hours remaining, 240.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2830000 4022.7587 20513.6607 14574.6878 254.2919 -203242.6850 2282.6136 0.0000 0.0000 51754.7629 -109839.9094 297.4353 -161594.6723 -109484.1519 297.7833 -170.2734 -141.3719 760031.2182 -1.3417 -1.0960 PRESSURE: 2830200 52.9178 -67.1376 32.6258 -67.1375 -270.035 408.771 32.6249 408.772 -122.635 GPRESSURE: 2830200 82.5866 -59.8757 18.0364 -10.7109 -241.83 396.75 -25.6683 373.888 -91.5307 PRESSAVG: 2830200 24.6345 7.36016 28.3876 7.36019 -4.35207 64.2188 28.3875 64.2188 8.82835 GPRESSAVG: 2830200 23.2777 6.76021 28.0201 10.4068 -4.64275 64.4518 29.6161 65.1744 10.3037 TIMING: 2830200 CPU: 8945.38, 0.00313526/step Wall: 8945.38, 0.00313526/step, 1.88969 hours remaining, 240.210938 MB of memory in use. ENERGY: 2830200 3958.1702 20495.9843 14506.2847 245.3405 -203474.3928 2385.8657 0.0000 0.0000 51834.9698 -110047.7776 297.8963 -161882.7474 -109685.3020 298.1175 -113.2508 -83.5914 759951.9473 9.7036 9.6462 PRESSURE: 2830400 -164.966 -181.677 176.303 -181.677 -452.802 342.312 176.303 342.313 -10.6421 GPRESSURE: 2830400 -153.823 -117.427 70.5046 -152.864 -373.684 276.43 163.926 254.215 -15.2889 PRESSAVG: 2830400 33.9524 -40.7182 -27.5847 -40.7182 -65.4265 44.0238 -27.5848 44.0239 -2.04922 GPRESSAVG: 2830400 32.9852 -40.4207 -27.4648 -40.8543 -64.9452 42.7808 -26.496 44.6142 -1.60101 TIMING: 2830400 CPU: 8946, 0.00312775/step Wall: 8946, 0.00312775/step, 1.88499 hours remaining, 240.210938 MB of memory in use. ENERGY: 2830400 4026.1834 20372.2394 14559.5740 260.1994 -203724.5876 2419.8341 0.0000 0.0000 51789.2369 -110297.3204 297.6335 -162086.5573 -109943.4818 297.4007 -209.4701 -180.9320 758226.5011 -11.1744 -11.1870 PRESSURE: 2830600 20.577 130.238 -22.8463 130.239 308.542 9.04108 -22.847 9.04125 -54.4491 GPRESSURE: 2830600 26.2581 64.7911 -6.85906 79.0585 357.538 16.5777 -161.117 41.501 -45.3623 PRESSAVG: 2830600 -25.2107 -16.6487 -13.8138 -16.6487 24.7342 75.8677 -13.8138 75.8676 -4.98556 GPRESSAVG: 2830600 -23.7525 -16.5471 -14.0568 -17.4936 23.787 78.0751 -18.0821 75.8606 -5.71374 TIMING: 2830600 CPU: 8946.63, 0.00313565/step Wall: 8946.63, 0.00313565/step, 1.88958 hours remaining, 240.210938 MB of memory in use. ENERGY: 2830600 4014.8975 20491.2162 14546.0148 244.7936 -203532.1873 2543.9949 0.0000 0.0000 51600.0053 -110091.2650 296.5459 -161691.2703 -109733.3111 297.7183 91.5566 112.8114 758674.9482 -1.8207 -1.8931 PRESSURE: 2830800 -303.557 20.1496 -208.059 20.1507 266.848 291.392 -208.059 291.392 -424.783 GPRESSURE: 2830800 -303.457 87.6123 -139.528 -34.5742 298.417 281.929 -132.414 246.757 -354.694 PRESSAVG: 2830800 -36.6473 46.134 -43.8721 46.134 52.9349 8.60962 -43.872 8.60971 1.09659 GPRESSAVG: 2830800 -37.2887 45.4454 -43.586 45.9109 52.3656 7.25498 -42.4911 10.1573 1.71973 TIMING: 2830800 CPU: 8947.26, 0.00315138/step Wall: 8947.26, 0.00315138/step, 1.89888 hours remaining, 240.210938 MB of memory in use. ENERGY: 2830800 3991.7486 20463.9602 14469.7904 247.7345 -203638.1989 2615.5721 0.0000 0.0000 51787.6637 -110061.7295 297.6244 -161849.3932 -109698.1727 298.0450 -153.8303 -119.9117 759654.7269 5.7947 5.5989 PRESSURE: 2831000 72.9664 -100.645 -28.8014 -100.644 8.56603 145.481 -28.8003 145.48 192.843 GPRESSURE: 2831000 93.0483 -32.124 -40.0203 24.8206 91.3983 100.204 5.85615 34.9832 175.749 PRESSAVG: 2831000 2.13701 23.7274 -23.5972 23.7274 -22.2375 -0.640329 -23.5971 -0.640331 9.56865 GPRESSAVG: 2831000 2.28422 27.184 -24.9472 21.8237 -20.3612 -1.37271 -20.9444 -1.48986 8.38837 TIMING: 2831000 CPU: 8947.89, 0.00313654/step Wall: 8947.89, 0.00313654/step, 1.88977 hours remaining, 240.210938 MB of memory in use. ENERGY: 2831000 4006.5317 20406.5894 14439.0489 258.4766 -203680.8661 2712.0413 0.0000 0.0000 52012.3452 -109845.8330 298.9157 -161858.1783 -109478.2166 298.2808 91.4585 120.0651 760330.3819 -3.5106 -3.2295 PRESSURE: 2831200 228.544 2.45897 -71.8491 2.45823 -249.458 -181.267 -71.849 -181.268 -192.856 GPRESSURE: 2831200 149.738 49.6985 17.7009 27.3322 -225.656 -49.5771 -199.324 -115.321 -45.4268 PRESSAVG: 2831200 41.9337 -6.49277 -23.4737 -6.49277 6.06709 88.717 -23.4737 88.717 3.22703 GPRESSAVG: 2831200 41.6137 -8.31182 -24.1378 -3.92408 4.73636 88.2838 -25.1798 88.0224 4.63121 TIMING: 2831200 CPU: 8948.52, 0.00313966/step Wall: 8948.52, 0.00313966/step, 1.89147 hours remaining, 240.210938 MB of memory in use. ENERGY: 2831200 4035.4185 20473.3235 14413.3557 244.5142 -203288.7421 2409.6216 0.0000 0.0000 51808.7011 -109903.8075 297.7453 -161712.5086 -109550.7674 298.1684 -71.2566 -40.4483 759532.0737 17.0759 16.9938 PRESSURE: 2831400 94.2867 248.077 -62.2159 248.077 -39.7036 -97.1434 -62.2165 -97.1445 -140.924 GPRESSURE: 2831400 34.423 319.233 -12.4141 158.583 107.589 -98.2596 -139.108 -54.8498 -148.307 PRESSAVG: 2831400 49.937 -53.3053 -31.6514 -53.3053 -24.4762 0.702309 -31.6515 0.702342 -15.6899 GPRESSAVG: 2831400 48.8348 -52.9678 -29.4859 -55.358 -22.6083 1.55601 -31.8849 0.0935601 -17.0023 TIMING: 2831400 CPU: 8949.14, 0.00313111/step Wall: 8949.14, 0.00313111/step, 1.88614 hours remaining, 240.210938 MB of memory in use. ENERGY: 2831400 3968.2889 20485.8427 14376.6685 233.9444 -202955.8472 2179.4490 0.0000 0.0000 51783.9791 -109927.6748 297.6032 -161711.6539 -109564.8977 298.4469 -28.7802 -2.0981 760411.1904 3.2570 3.0747 PRESSURE: 2831600 103.217 -218.308 -180.971 -218.308 20.7839 151.449 -180.971 151.449 184.15 GPRESSURE: 2831600 88.8642 -147.286 -142.212 -197.534 71.931 203.963 -188.946 51.3466 221.259 PRESSAVG: 2831600 70.5952 -53.4728 31.7257 -53.4727 -51.7819 40.4138 31.7258 40.4138 -0.461783 GPRESSAVG: 2831600 70.3667 -55.4142 31.0477 -53.2324 -53.9002 40.7215 31.7051 37.9524 1.58199 TIMING: 2831600 CPU: 8949.77, 0.00314859/step Wall: 8949.77, 0.00314859/step, 1.8965 hours remaining, 240.210938 MB of memory in use. ENERGY: 2831600 3860.4752 20481.8885 14555.1252 268.1689 -203324.0741 2469.9356 0.0000 0.0000 51689.6267 -109998.8540 297.0610 -161688.4807 -109643.6748 298.0769 102.7170 127.3515 760617.4726 6.1172 6.0162 PRESSURE: 2831800 -2.54557 -155.277 -91.7086 -155.278 -253.411 37.1561 -91.7085 37.1565 10.6284 GPRESSURE: 2831800 -14.3664 -271.503 -44.3352 -44.8816 -184.49 -66.8064 -127.021 133.225 45.6162 PRESSAVG: 2831800 39.2237 -14.8304 16.0886 -14.8305 -72.2134 6.26366 16.0886 6.2637 -2.65505 GPRESSAVG: 2831800 39.2244 -12.5418 18.0868 -14.0599 -71.1312 6.69315 16.4989 8.97641 -3.75616 TIMING: 2831800 CPU: 8950.4, 0.00314756/step Wall: 8950.4, 0.00314756/step, 1.8957 hours remaining, 240.210938 MB of memory in use. ENERGY: 2831800 3967.9059 20461.5352 14513.7949 241.3954 -203510.3541 2633.6112 0.0000 0.0000 51917.5371 -109774.5743 298.3708 -161692.1114 -109412.9068 297.6835 -81.7759 -51.0800 760853.3719 -11.8816 -11.8877 PRESSURE: 2832000 118.446 -76.3701 23.8874 -76.3702 -79.2622 -108.967 23.8873 -108.966 439.584 GPRESSURE: 2832000 67.2476 -136.387 38.297 -114.864 15.5173 -121.928 50.7459 -129.097 489.453 PRESSAVG: 2832000 30.1904 -21.1794 40.5503 -21.1795 -43.3965 2.66137 40.5503 2.66138 1.90604 GPRESSAVG: 2832000 29.958 -20.7799 38.9722 -22.1687 -43.2308 4.46329 39.215 0.378808 2.06745 TIMING: 2832000 CPU: 8951.03, 0.0031379/step Wall: 8951.03, 0.0031379/step, 1.88971 hours remaining, 240.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2832000 4036.3260 20489.6783 14475.9844 250.5260 -203667.5458 2682.5417 0.0000 0.0000 51976.1768 -109756.3125 298.7078 -161732.4894 -109386.1492 298.0370 159.5894 190.7393 760219.3711 -3.7667 -3.7351 PRESSURE: 2832200 -141.397 -205.413 -87.7573 -205.414 -209.007 212.865 -87.7565 212.865 -16.5763 GPRESSURE: 2832200 -23.574 -258.744 -72.8664 -161.223 -276.533 160.648 -65.384 288.909 14.8361 PRESSAVG: 2832200 61.0906 4.93638 -15.2395 4.93641 -77.3547 -45.2008 -15.2396 -45.2008 2.74794 GPRESSAVG: 2832200 62.0997 3.29934 -14.2538 4.92161 -77.9844 -47.7236 -12.3038 -43.2234 1.90242 TIMING: 2832200 CPU: 8951.66, 0.00315046/step Wall: 8951.66, 0.00315046/step, 1.8971 hours remaining, 240.210938 MB of memory in use. ENERGY: 2832200 3949.1042 20500.8721 14493.9293 256.3175 -203081.0143 2118.2788 0.0000 0.0000 52164.0136 -109598.4987 299.7873 -161762.5123 -109229.4204 299.2022 -122.3268 -95.0901 762482.2207 -4.5054 -4.6608 LDB: ============= START OF LOAD BALANCING ============== 8964.06 LDB: ============== END OF LOAD BALANCING =============== 8964.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8964.06 LDB: ============= START OF LOAD BALANCING ============== 8964.37 LDB: Largest compute 7025 load 0.034470 is 17.6% of average load 0.196128 LDB: Average compute 0.004366 is 2.2% of average load 0.196128 LDB: TIME 8964.37 LOAD: AVG 0.196128 MAX 0.215944 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.461 MB LDB: TIME 8964.37 LOAD: AVG 0.196128 MAX 0.215944 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.555 MB LDB: TIME 8964.37 LOAD: AVG 0.196128 MAX 0.215944 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.555 MB LDB: ============== END OF LOAD BALANCING =============== 8964.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8964.38 PRESSURE: 2832400 -284.403 -93.2044 142.801 -93.2043 60.9167 -4.71068 142.8 -4.71175 -216.833 GPRESSURE: 2832400 -164.961 -72.8178 180.124 -83.3405 35.0296 -18.1051 71.8913 120.496 -201.104 PRESSAVG: 2832400 41.8438 -23.6058 -16.3595 -23.6059 -12.8615 41.6358 -16.3595 41.6358 -12.5025 GPRESSAVG: 2832400 41.665 -21.5934 -18.728 -24.2216 -12.9072 41.8235 -18.519 41.9048 -12.1639 TIMING: 2832400 CPU: 8952.3, 0.00319988/step Wall: 8952.3, 0.00319988/step, 1.92668 hours remaining, 238.472656 MB of memory in use. ENERGY: 2832400 4043.6028 20610.3986 14508.9327 215.9611 -203336.9824 2487.3927 0.0000 0.0000 51983.8304 -109486.8639 298.7518 -161470.6944 -109146.2190 299.1279 -146.7730 -110.3449 760514.8119 5.4932 5.5313 PRESSURE: 2832600 -45.3506 83.4921 -158.969 83.4915 -435.959 161.851 -158.969 161.85 9.74873 GPRESSURE: 2832600 -56.0606 157.431 -73.2306 -46.7013 -326.194 116.189 -228.084 185.565 11.6334 PRESSAVG: 2832600 67.0475 1.7937 -11.8182 1.79367 -98.2623 24.4686 -11.8183 24.4686 -1.91804 GPRESSAVG: 2832600 66.4333 3.58761 -10.237 1.7718 -99.1913 23.776 -11.7075 21.0859 -0.936963 TIMING: 2832600 CPU: 8952.93, 0.00313953/step Wall: 8952.93, 0.00313953/step, 1.89017 hours remaining, 238.675781 MB of memory in use. ENERGY: 2832600 4010.5049 20589.7249 14494.2829 275.6736 -203050.9847 2225.3637 0.0000 0.0000 52009.4592 -109445.9756 298.8991 -161455.4348 -109083.0564 298.9923 -157.1869 -123.5404 761550.1738 -11.0443 -11.2317 PRESSURE: 2832800 127.422 52.614 -11.5868 52.6134 -163.829 111.52 -11.5881 111.52 -154.977 GPRESSURE: 2832800 72.3345 -30.7743 128.441 -48.5357 -56.9831 132.229 -61.2121 84.1913 -139.665 PRESSAVG: 2832800 -8.02895 -20.1186 -50.9476 -20.1186 24.0921 -68.5851 -50.9476 -68.5851 -0.943746 GPRESSAVG: 2832800 -8.61931 -23.725 -48.5119 -19.3471 25.867 -68.8614 -51.8581 -66.2728 -2.82376 TIMING: 2832800 CPU: 8953.55, 0.00313268/step Wall: 8953.55, 0.00313268/step, 1.88588 hours remaining, 238.675781 MB of memory in use. ENERGY: 2832800 4014.9668 20678.9157 14519.0262 251.9965 -203288.0003 2535.6697 0.0000 0.0000 51830.5891 -109456.8362 297.8711 -161287.4253 -109092.5483 299.6213 -63.7946 -41.4378 760813.6655 5.0398 4.8080 PRESSURE: 2833000 -11.9829 -60.2722 -89.1673 -60.2726 -38.7662 -225.076 -89.1668 -225.076 -167.181 GPRESSURE: 2833000 114.844 84.1482 -66.2168 -76.9906 -89.184 -222.658 -41.3586 -51.0375 -172.596 PRESSAVG: 2833000 4.29237 -16.6932 29.9732 -16.6932 7.32691 44.6811 29.9731 44.6811 8.01689 GPRESSAVG: 2833000 4.52061 -15.301 28.1902 -18.1872 5.62962 45.0925 31.9715 45.8224 9.13876 TIMING: 2833000 CPU: 8954.18, 0.00312521/step Wall: 8954.18, 0.00312521/step, 1.8812 hours remaining, 238.675781 MB of memory in use. ENERGY: 2833000 4042.0699 20687.0300 14471.7191 253.3518 -203173.1885 2267.5208 0.0000 0.0000 51955.0620 -109496.4348 298.5865 -161451.4968 -109136.6729 299.5259 -72.6433 -48.9789 759546.5590 6.5454 6.4297 PRESSURE: 2833200 -243.631 14.2233 173.692 14.2233 9.13923 152.592 173.692 152.592 -548.537 GPRESSURE: 2833200 -175.206 91.3687 55.6967 18.3005 35.3993 96.3353 136.678 226.274 -546.602 PRESSAVG: 2833200 11.9819 44.5073 19.0164 44.5073 21.7477 -13.7242 19.0164 -13.7242 -1.45752 GPRESSAVG: 2833200 12.3956 45.0944 16.6501 45.5383 22.2776 -13.3633 18.8044 -16.7735 -2.32384 TIMING: 2833200 CPU: 8954.81, 0.00313589/step Wall: 8954.81, 0.00313589/step, 1.88746 hours remaining, 238.675781 MB of memory in use. ENERGY: 2833200 3966.2409 20590.6518 14494.9669 256.9363 -203396.3996 2380.7605 0.0000 0.0000 52160.5571 -109546.2860 299.7674 -161706.8431 -109185.2529 299.1805 -261.0095 -228.8029 760960.7958 10.7573 10.7831 PRESSURE: 2833400 -214.377 110.286 -159.822 110.286 -331.095 171.555 -159.821 171.555 -68.8986 GPRESSURE: 2833400 -190.804 37.8044 -118.431 85.5899 -249.903 236.35 -68.9253 177.761 -83.5315 PRESSAVG: 2833400 48.698 -11.0715 32.0538 -11.0716 -50.2943 24.3089 32.0538 24.3089 -1.0439 GPRESSAVG: 2833400 49.3938 -13.1347 33.4892 -8.67645 -50.387 23.8931 32.1608 26.516 -1.15863 TIMING: 2833400 CPU: 8955.43, 0.00314196/step Wall: 8955.43, 0.00314196/step, 1.89093 hours remaining, 238.675781 MB of memory in use. ENERGY: 2833400 3900.9361 20591.9464 14499.1427 264.0659 -203041.0906 2176.7810 0.0000 0.0000 51945.5303 -109662.6883 298.5317 -161608.2186 -109293.3967 298.7694 -204.7902 -174.7462 761059.8253 -0.8800 -0.7173 PRESSURE: 2833600 -288.603 30.5554 -127.889 30.5552 -591.854 14.6304 -127.89 14.6316 -218.337 GPRESSURE: 2833600 -281.271 -78.9401 -87.1774 153.549 -516.809 36.3611 -151.203 161.789 -211.261 PRESSAVG: 2833600 80.8881 37.613 -16.2308 37.6131 -69.0537 -6.67746 -16.2309 -6.67741 6.49941 GPRESSAVG: 2833600 79.5475 38.8218 -16.2807 36.4405 -67.4746 -5.89596 -17.4151 -7.21779 6.13533 TIMING: 2833600 CPU: 8956.06, 0.00313835/step Wall: 8956.06, 0.00313835/step, 1.88859 hours remaining, 238.675781 MB of memory in use. ENERGY: 2833600 3989.7070 20584.6087 14579.7587 235.2211 -203209.1438 2098.7440 0.0000 0.0000 52122.4173 -109598.6870 299.5482 -161721.1043 -109240.7760 298.7794 -366.2646 -336.4470 761044.1535 6.1113 6.0694 PRESSURE: 2833800 147.484 -130.318 -243.91 -130.317 283.13 -179.345 -243.911 -179.346 -86.4767 GPRESSURE: 2833800 197.151 -153.237 -154.909 -139.541 301.158 -240.71 -211.031 -6.07796 -74.2611 PRESSAVG: 2833800 -10.9602 -10.7316 11.8137 -10.7316 -20.5202 19.4495 11.8136 19.4495 -6.53956 GPRESSAVG: 2833800 -9.95544 -8.29676 12.3263 -12.9322 -21.8419 18.0627 13.3225 19.1951 -6.00868 TIMING: 2833800 CPU: 8956.69, 0.00315154/step Wall: 8956.69, 0.00315154/step, 1.89635 hours remaining, 238.675781 MB of memory in use. ENERGY: 2833800 3989.9185 20527.4255 14558.2766 250.7622 -203604.0433 2569.8626 0.0000 0.0000 51987.9185 -109719.8794 298.7753 -161707.7979 -109364.0918 298.9029 114.7125 141.3496 760742.7166 -12.6733 -12.6020 PRESSURE: 2834000 105.239 31.42 33.5975 31.42 -7.99758 -13.449 33.5976 -13.4488 -43.937 GPRESSURE: 2834000 224.313 -12.2757 65.1034 -47.0433 -50.0706 95.7599 -33.374 -50.7832 -24.5008 PRESSAVG: 2834000 50.3312 4.72988 -0.51071 4.72981 -31.9211 -37.8688 -0.510704 -37.8687 2.81766 GPRESSAVG: 2834000 49.8609 2.75181 -1.12695 6.13195 -31.8399 -37.2505 -1.40911 -38.2358 3.32422 TIMING: 2834000 CPU: 8957.32, 0.00313245/step Wall: 8957.32, 0.00313245/step, 1.88469 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2834000 3972.5097 20530.3915 14509.6993 255.1574 -203499.1251 2598.0243 0.0000 0.0000 52152.1099 -109481.2329 299.7189 -161633.3429 -109116.2633 299.1781 17.7683 49.9140 759234.9144 7.0759 7.1151 PRESSURE: 2834200 -9.29006 105.302 -17.1517 105.302 -273.736 1.95945 -17.1514 1.9591 -39.7918 GPRESSURE: 2834200 7.6888 63.1831 -31.3056 49.4646 -124.77 -25.5999 4.62711 49.9713 -94.9687 PRESSAVG: 2834200 22.2485 3.03663 8.53042 3.03668 -22.3976 48.3403 8.53045 48.3403 -20.5495 GPRESSAVG: 2834200 23.7312 1.47448 7.72391 3.90177 -22.8098 47.9137 9.82225 50.1556 -21.2823 TIMING: 2834200 CPU: 8957.95, 0.00315143/step Wall: 8957.95, 0.00315143/step, 1.89594 hours remaining, 238.675781 MB of memory in use. ENERGY: 2834200 4061.3764 20532.7846 14439.7533 258.0475 -203523.7887 2460.8903 0.0000 0.0000 52224.3600 -109546.5765 300.1341 -161770.9365 -109177.0853 299.4362 -107.6058 -70.6834 759800.0959 -6.8995 -6.7870 PRESSURE: 2834400 34.1996 -107.414 282.12 -107.414 -223.064 66.2704 282.121 66.27 382.426 GPRESSURE: 2834400 10.9418 -139.72 252.354 -156.17 -187.29 43.1834 333.527 95.6206 460.971 PRESSAVG: 2834400 33.2416 -4.19593 7.71786 -4.19597 -73.3173 43.2709 7.71786 43.2709 -15.1373 GPRESSAVG: 2834400 31.4263 -1.19179 8.45856 -6.72343 -71.5588 43.0287 7.14436 42.382 -15.073 TIMING: 2834400 CPU: 8958.58, 0.00313363/step Wall: 8958.58, 0.00313363/step, 1.88505 hours remaining, 238.675781 MB of memory in use. ENERGY: 2834400 3996.6231 20718.1846 14508.5117 237.9819 -203483.3159 2575.5579 0.0000 0.0000 52105.6330 -109340.8237 299.4518 -161446.4567 -108963.8110 299.4524 64.5204 94.8744 760593.4450 -18.4044 -18.4018 PRESSURE: 2834600 241.181 -106.988 -121.364 -106.988 215.136 -199.284 -121.364 -199.285 412.558 GPRESSURE: 2834600 255.327 -145.63 -150.936 -51.1383 222.261 -234.431 -241.199 -201.234 444.468 PRESSAVG: 2834600 21.4157 -22.1022 79.3557 -22.1022 -44.3611 31.7117 79.3556 31.7117 6.9614 GPRESSAVG: 2834600 21.6491 -22.8766 78.8935 -20.6665 -45.6466 32.5366 77.9698 31.4356 7.63907 TIMING: 2834600 CPU: 8959.21, 0.00316479/step Wall: 8959.21, 0.00316479/step, 1.90362 hours remaining, 238.675781 MB of memory in use. ENERGY: 2834600 3983.0984 20885.4879 14558.0878 260.5421 -203457.8835 2570.9078 0.0000 0.0000 51999.1510 -109200.6085 298.8398 -161199.7595 -108844.5205 299.8025 289.6247 307.3521 759329.4020 -5.3280 -5.4528 PRESSURE: 2834800 28.3461 71.8618 -57.5573 71.8616 -246.016 62.1922 -57.5567 62.1916 -34.9778 GPRESSURE: 2834800 38.9348 34.1612 72.2385 28.936 -175.419 68.2036 -2.09281 -15.5442 -33.4449 PRESSAVG: 2834800 -12.1847 -16.1797 -37.2484 -16.1797 -9.67551 37.6184 -37.2483 37.6184 -14.0307 GPRESSAVG: 2834800 -13.0069 -16.9185 -36.3618 -18.583 -9.37495 39.0233 -37.6445 36.0982 -13.2771 TIMING: 2834800 CPU: 8959.84, 0.00315925/step Wall: 8959.84, 0.00315925/step, 1.90011 hours remaining, 238.675781 MB of memory in use. ENERGY: 2834800 3995.8724 20682.2837 14562.8518 263.6184 -203206.8612 2422.0867 0.0000 0.0000 52097.7977 -109182.3504 299.4068 -161280.1481 -108815.2866 299.7427 -84.2159 -56.6430 759779.8197 -11.9636 -11.8863 PRESSURE: 2835000 103.29 -165.183 110.806 -165.183 259.263 85.2742 110.807 85.2741 461.471 GPRESSURE: 2835000 249.932 -124.156 110.684 -145.097 244.685 -72.1309 70.918 80.9649 426.548 PRESSAVG: 2835000 25.649 -37.5266 -7.76425 -37.5265 -21.2377 15.4358 -7.76425 15.4358 9.05114 GPRESSAVG: 2835000 26.4019 -37.6114 -8.0999 -35.6016 -21.7533 11.8065 -5.11634 16.2749 9.18722 TIMING: 2835000 CPU: 8960.47, 0.00315856/step Wall: 8960.47, 0.00315856/step, 1.89952 hours remaining, 238.675781 MB of memory in use. ENERGY: 2835000 3937.3235 20563.8765 14590.5871 234.9490 -203313.8530 2438.4303 0.0000 0.0000 52236.2658 -109312.4207 300.2025 -161548.6865 -108948.1244 299.7067 274.6749 307.0549 758050.9418 4.4875 4.6119 PRESSURE: 2835200 -150.328 -65.7986 -63.0245 -65.7984 26.6099 -296.916 -63.0243 -296.916 40.9738 GPRESSURE: 2835200 -137.805 -64.712 -108.764 -7.9547 80.2862 -274.903 -59.9618 -277.873 51.5504 PRESSAVG: 2835200 -5.30168 31.4466 -15.9113 31.4466 14.7988 -11.6522 -15.9113 -11.6522 6.89137 GPRESSAVG: 2835200 -5.65735 32.5984 -15.7409 30.94 15.62 -10.4077 -16.5397 -12.4429 6.01387 TIMING: 2835200 CPU: 8961.1, 0.00313163/step Wall: 8961.1, 0.00313163/step, 1.88316 hours remaining, 238.675781 MB of memory in use. ENERGY: 2835200 3923.6564 20610.7944 14517.9252 231.8482 -203302.6888 2277.2340 0.0000 0.0000 52248.5224 -109492.7081 300.2730 -161741.2305 -109129.0643 299.7963 -27.5813 -1.9894 758699.2170 5.4628 5.3255 PRESSURE: 2835400 42.8706 -112.534 -99.1458 -112.535 -149.499 29.2927 -99.1462 29.293 -127.231 GPRESSURE: 2835400 191.525 -20.6358 -56.2397 -151.187 -115.088 -46.0416 -125.446 146.395 -224.553 PRESSAVG: 2835400 67.1979 -49.1939 -10.6114 -49.194 -74.6926 -29.6455 -10.6114 -29.6456 -8.23515 GPRESSAVG: 2835400 66.987 -50.4411 -12.6696 -47.6109 -75.0157 -29.6171 -10.6652 -27.9797 -7.55484 TIMING: 2835400 CPU: 8961.72, 0.00312964/step Wall: 8961.72, 0.00312964/step, 1.88178 hours remaining, 238.675781 MB of memory in use. ENERGY: 2835400 3974.1834 20571.3789 14556.6480 255.0069 -202949.8794 2238.8671 0.0000 0.0000 51980.4886 -109373.3065 298.7326 -161353.7952 -109011.9888 299.6468 -77.9529 -49.3721 761579.7651 -5.2433 -5.1945 PRESSURE: 2835600 -163.29 -67.2181 0.531388 -67.2185 54.3999 186.242 0.531693 186.243 -118.727 GPRESSURE: 2835600 -112.078 -132.876 67.819 54.0348 121.809 183.719 34.6549 85.0054 -153.315 PRESSAVG: 2835600 48.2658 21.6413 20.2513 21.6413 -13.7625 -12.6531 20.2513 -12.6531 24.3186 GPRESSAVG: 2835600 48.3146 21.1402 22.224 21.0567 -13.6435 -10.9278 18.9875 -13.9834 23.6872 TIMING: 2835600 CPU: 8962.35, 0.0031334/step Wall: 8962.35, 0.0031334/step, 1.88387 hours remaining, 238.675781 MB of memory in use. ENERGY: 2835600 4048.6666 20535.3094 14564.3538 227.6869 -203428.1479 2417.6054 0.0000 0.0000 52066.9970 -109567.5288 299.2297 -161634.5257 -109195.5002 299.1210 -75.8724 -47.8616 760876.2128 19.6073 19.4528 PRESSURE: 2835800 -240.333 -92.8332 -48.3129 -92.8334 -14.2811 -227.09 -48.3132 -227.09 125.039 GPRESSURE: 2835800 -96.3125 -18.5898 -8.75498 -24.0709 41.4815 -252.995 -55.236 -162.234 33.393 PRESSAVG: 2835800 10.7468 -63.7133 -16.8097 -63.7133 9.25103 -13.837 -16.8097 -13.8371 -6.86132 GPRESSAVG: 2835800 10.2738 -63.2394 -16.5662 -62.3325 9.6286 -16.3201 -17.6774 -11.6097 -6.60486 TIMING: 2835800 CPU: 8962.98, 0.00314008/step Wall: 8962.98, 0.00314008/step, 1.88771 hours remaining, 238.675781 MB of memory in use. ENERGY: 2835800 3969.4455 20546.9133 14500.2284 238.1480 -203764.1052 2616.5577 0.0000 0.0000 52359.5007 -109533.3117 300.9108 -161892.8123 -109169.9007 299.6023 -43.1916 -7.1460 758231.6720 4.3788 4.4325 PRESSURE: 2836000 -50.2309 -67.809 -17.5873 -67.8089 637.789 -197.348 -17.5869 -197.35 389.067 GPRESSURE: 2836000 -2.17433 -68.0922 34.0968 -84.1707 592.031 -141.901 -196.272 -189.998 465.892 PRESSAVG: 2836000 26.5138 4.78284 -24.4366 4.78289 -20.5261 7.72134 -24.4366 7.72137 6.77694 GPRESSAVG: 2836000 26.7665 5.09437 -25.3185 3.53077 -21.3094 10.1242 -24.5336 5.02734 7.21465 TIMING: 2836000 CPU: 8963.61, 0.00314176/step Wall: 8963.61, 0.00314176/step, 1.88855 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2836000 3977.1993 20533.8647 14478.2036 239.1339 -203407.3939 2780.1869 0.0000 0.0000 52199.8837 -109198.9218 299.9934 -161398.8055 -108834.9061 299.5215 325.5417 351.9162 759988.4499 4.2549 4.2239 PRESSURE: 2836200 -43.882 -10.0294 -150.596 -10.0298 255.15 110.615 -150.596 110.614 -113.043 GPRESSURE: 2836200 4.89716 -67.2765 -70.3408 89.0795 322.116 84.5046 -88.2617 236.691 -149.086 PRESSAVG: 2836200 -20.9808 10.5244 11.2372 10.5245 16.5733 -52.8046 11.2372 -52.8046 -5.2527 GPRESSAVG: 2836200 -19.7721 10.0064 11.7098 10.2211 16.9743 -54.3879 11.0878 -50.0638 -6.42561 TIMING: 2836200 CPU: 8964.24, 0.00314591/step Wall: 8964.24, 0.00314591/step, 1.89087 hours remaining, 238.675781 MB of memory in use. ENERGY: 2836200 3995.4526 20449.0412 14551.9557 246.4760 -203085.0017 2676.2136 0.0000 0.0000 52064.7463 -109101.1163 299.2168 -161165.8626 -108740.0516 299.9862 32.7417 59.3092 761014.7111 -3.2200 -3.0745 LDB: ============= START OF LOAD BALANCING ============== 8976.63 LDB: ============== END OF LOAD BALANCING =============== 8976.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8976.64 LDB: ============= START OF LOAD BALANCING ============== 8976.95 LDB: Largest compute 7057 load 0.032565 is 16.6% of average load 0.196050 LDB: Average compute 0.004382 is 2.2% of average load 0.196050 LDB: TIME 8976.95 LOAD: AVG 0.19605 MAX 0.217179 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 8976.95 LOAD: AVG 0.19605 MAX 0.217179 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 8976.95 LOAD: AVG 0.19605 MAX 0.217179 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 8976.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8976.96 PRESSURE: 2836400 -49.9351 -98.158 172.893 -98.1581 -202.699 134.246 172.893 134.246 437.637 GPRESSURE: 2836400 -3.38223 -24.967 105.47 5.07126 -88.5168 126.563 411.002 67.2997 362.706 PRESSAVG: 2836400 -67.4326 -30.9693 -32.3565 -30.9692 64.168 -41.4869 -32.3564 -41.4869 4.21539 GPRESSAVG: 2836400 -68.0495 -28.2639 -32.1533 -30.9139 64.9032 -40.655 -31.1233 -43.7494 4.0981 TIMING: 2836400 CPU: 8964.88, 0.00320664/step Wall: 8964.88, 0.00320664/step, 1.92719 hours remaining, 239.183594 MB of memory in use. ENERGY: 2836400 4042.4859 20407.5939 14577.8232 245.7627 -203338.8598 2672.0480 0.0000 0.0000 52285.0998 -109108.0462 300.4832 -161393.1460 -108738.0208 300.2429 61.6676 90.2690 760645.2001 0.3169 0.3173 PRESSURE: 2836600 474.527 -110.761 -113.649 -110.76 111.768 -45.6057 -113.649 -45.606 68.8144 GPRESSURE: 2836600 473.038 -63.031 -149.646 -29.131 118.276 -27.7424 -95.9545 -101.86 155.454 PRESSAVG: 2836600 8.71221 13.8935 -16.076 13.8935 -6.09323 11.3189 -16.076 11.3189 0.46139 GPRESSAVG: 2836600 8.51922 11.4677 -15.678 13.0067 -7.38621 11.1027 -16.3018 9.5783 1.00784 TIMING: 2836600 CPU: 8965.51, 0.00315625/step Wall: 8965.51, 0.00315625/step, 1.89673 hours remaining, 239.183594 MB of memory in use. ENERGY: 2836600 4026.6012 20689.8427 14519.8468 248.1328 -203750.3451 2647.6365 0.0000 0.0000 52395.6771 -109222.6081 301.1187 -161618.2851 -108870.8463 300.7924 218.3696 248.9227 759825.7670 1.0268 0.7136 PRESSURE: 2836800 -236.483 -132.063 1.12053 -132.063 -179.697 -144.959 1.12033 -144.959 -187.64 GPRESSURE: 2836800 -137.812 -150.177 -18.4353 -86.7518 -123.679 -95.1753 -24.4402 -226.267 -236.015 PRESSAVG: 2836800 -16.2613 -14.3068 11.3297 -14.3068 19.6181 -58.3022 11.3297 -58.3022 18.5297 GPRESSAVG: 2836800 -16.1561 -13.7406 10.1696 -12.8491 19.4933 -57.0858 11.4124 -56.1731 18.9394 TIMING: 2836800 CPU: 8966.14, 0.00317844/step Wall: 8966.14, 0.00317844/step, 1.90989 hours remaining, 239.183594 MB of memory in use. ENERGY: 2836800 3924.1675 20607.8616 14547.0686 242.4411 -203338.3484 2518.7580 0.0000 0.0000 52094.0410 -109404.0106 299.3852 -161498.0516 -109034.8682 299.6550 -201.2732 -165.8351 761087.0473 7.2955 7.4255 PRESSURE: 2837000 32.41 137.6 -4.45977 137.6 -425.09 75.5874 -4.45981 75.5886 -87.4878 GPRESSURE: 2837000 59.8394 238.662 -9.36748 70.9128 -353.601 82.1144 21.8373 140.938 -87.1625 PRESSAVG: 2837000 -0.082971 -7.89874 -50.2617 -7.89867 -3.59303 -23.465 -50.2617 -23.465 -3.25944 GPRESSAVG: 2837000 0.428815 -8.25591 -49.0885 -8.26301 -4.36485 -25.3825 -49.2689 -23.5551 -3.27315 TIMING: 2837000 CPU: 8966.77, 0.00313986/step Wall: 8966.77, 0.00313986/step, 1.88653 hours remaining, 239.183594 MB of memory in use. ENERGY: 2837000 3934.7677 20639.0160 14494.5359 239.3705 -203451.1116 2284.2069 0.0000 0.0000 52305.1378 -109554.0768 300.5983 -161859.2146 -109194.4415 299.4675 -160.0558 -126.9747 761595.4896 -2.3118 -2.4031 PRESSURE: 2837200 285.17 -180.157 -62.0404 -180.158 545.81 -80.6111 -62.0402 -80.6106 535.244 GPRESSURE: 2837200 353.583 -119.593 -167.51 -175.994 522.448 -82.3874 -68.1251 -118.016 564.119 PRESSAVG: 2837200 -43.6521 -13.5989 -54.8076 -13.5989 49.1506 21.9122 -54.8075 21.9123 1.34769 GPRESSAVG: 2837200 -44.631 -12.4464 -56.7934 -15.3265 50.2582 22.7283 -54.6607 21.5526 0.503455 TIMING: 2837200 CPU: 8967.4, 0.0031435/step Wall: 8967.4, 0.0031435/step, 1.88854 hours remaining, 239.183594 MB of memory in use. ENERGY: 2837200 3930.4782 20516.7947 14575.7922 265.9774 -203804.4839 2751.8424 0.0000 0.0000 52154.7234 -109608.8758 299.7339 -161763.5992 -109243.1845 299.3048 455.4078 480.0498 759181.1954 2.2821 2.0435 PRESSURE: 2837400 219.311 120.43 -138.3 120.43 253.941 297.428 -138.3 297.428 -81.9302 GPRESSURE: 2837400 193.953 103.595 -241.373 126.213 298.776 185.728 -45.8381 251.67 -34.3477 PRESSAVG: 2837400 0.40464 -48.9323 21.0009 -48.9323 29.538 3.162 21.0009 3.16192 10.0036 GPRESSAVG: 2837400 -2.18346 -49.5761 22.2713 -46.9696 31.497 3.57106 19.1321 2.25751 10.2174 TIMING: 2837400 CPU: 8968.03, 0.00312756/step Wall: 8968.03, 0.00312756/step, 1.8788 hours remaining, 239.183594 MB of memory in use. ENERGY: 2837400 3947.6178 20590.3609 14525.3721 239.5063 -203325.8849 2397.4001 0.0000 0.0000 52014.1523 -109611.4754 298.9260 -161625.6277 -109243.9974 299.2467 130.4405 152.7938 759987.1048 13.3154 13.1770 PRESSURE: 2837600 -183.525 -82.4814 -47.5596 -82.4817 -152.169 113.598 -47.5596 113.599 244.956 GPRESSURE: 2837600 -78.937 -221.817 27.6583 -74.669 -96.9487 114.127 -47.9961 64.3635 188.377 PRESSAVG: 2837600 1.82781 -16.2566 -20.5188 -16.2566 38.1902 13.8893 -20.5188 13.8894 -4.14574 GPRESSAVG: 2837600 3.34042 -17.2331 -19.6496 -16.7052 36.1879 14.7484 -19.6519 13.0921 -3.9068 TIMING: 2837600 CPU: 8968.66, 0.00315564/step Wall: 8968.66, 0.00315564/step, 1.89549 hours remaining, 239.183594 MB of memory in use. ENERGY: 2837600 4075.4495 20542.1240 14440.1707 238.0960 -203285.4381 2228.3267 0.0000 0.0000 52150.4714 -109610.7999 299.7095 -161761.2713 -109236.2112 299.3853 -30.2459 4.1639 759410.6801 11.9574 11.8738 PRESSURE: 2837800 186.27 -25.5524 -12.5763 -25.5524 11.5872 305.315 -12.5775 305.316 433.667 GPRESSURE: 2837800 356.902 -48.4875 -27.4937 -57.0663 -51.0363 245.674 37.0798 271.265 386.781 PRESSAVG: 2837800 19.6799 -39.3142 -15.2261 -39.3142 -29.2721 70.21 -15.2261 70.21 1.93065 GPRESSAVG: 2837800 20.3348 -36.9191 -17.1734 -40.0389 -29.2085 68.1543 -14.1719 70.0227 1.6337 TIMING: 2837800 CPU: 8969.29, 0.00316427/step Wall: 8969.29, 0.00316427/step, 1.9005 hours remaining, 239.183594 MB of memory in use. ENERGY: 2837800 4024.2563 20618.1394 14449.4115 238.6390 -203180.0611 2354.1080 0.0000 0.0000 52021.9409 -109473.5660 298.9708 -161495.5069 -109107.4708 299.4880 210.5081 230.8821 759620.8929 -2.5538 -2.4133 PRESSURE: 2838000 178.739 -106.834 212.38 -106.834 304.145 -270.621 212.38 -270.621 -305.669 GPRESSURE: 2838000 251.375 10.688 167.396 -62.1682 214.55 -250.818 173.305 -321.36 -218.42 PRESSAVG: 2838000 12.9681 -24.1099 -11.5837 -24.1099 33.0574 -17.366 -11.5837 -17.366 -2.58314 GPRESSAVG: 2838000 12.3732 -27.2639 -10.0816 -21.2113 33.9064 -15.3107 -12.808 -17.2657 -2.76665 TIMING: 2838000 CPU: 8969.93, 0.00317952/step Wall: 8969.93, 0.00317952/step, 1.90948 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2838000 3979.0569 20503.3691 14441.0373 264.3952 -203500.8096 2581.3965 0.0000 0.0000 52268.9608 -109462.5938 300.3904 -161731.5546 -109103.5990 299.4390 59.0717 82.5018 759646.0467 14.4808 14.5043 PRESSURE: 2838200 -200.644 106.301 163.672 106.3 -70.0415 23.2175 163.671 23.2174 -43.7979 GPRESSURE: 2838200 -187.009 87.7885 86.0215 41.8014 -10.5684 -42.9454 163.279 6.87525 -41.642 PRESSAVG: 2838200 18.1189 -12.4636 9.72116 -12.4636 -27.1738 64.922 9.72125 64.922 15.4143 GPRESSAVG: 2838200 19.6382 -11.9726 10.4459 -12.5302 -28.4627 63.3124 10.9361 67.6919 15.2952 TIMING: 2838200 CPU: 8970.56, 0.00317383/step Wall: 8970.56, 0.00317383/step, 1.90588 hours remaining, 239.183594 MB of memory in use. ENERGY: 2838200 3974.0089 20536.5529 14494.1551 231.5980 -203592.2515 2613.6379 0.0000 0.0000 52117.3033 -109624.9954 299.5189 -161742.2986 -109266.5094 299.5782 -104.8279 -79.7398 761147.6308 2.1198 2.1569 PRESSURE: 2838400 -365.055 223.513 113.751 223.513 101.062 1.17828 113.751 1.17819 -240.252 GPRESSURE: 2838400 -355.006 96.3239 123.684 158.724 123.848 -124.571 126.728 -62.4527 -207.255 PRESSAVG: 2838400 -10.3329 6.02864 5.0492 6.02868 -5.43617 -16.5259 5.04925 -16.5261 -22.5516 GPRESSAVG: 2838400 -11.7612 4.61467 4.52944 8.26419 -4.45106 -15.912 4.4202 -17.9099 -22.1685 TIMING: 2838400 CPU: 8971.2, 0.00318221/step Wall: 8971.2, 0.00318221/step, 1.91074 hours remaining, 239.183594 MB of memory in use. ENERGY: 2838400 3947.7137 20514.0546 14428.0003 258.4217 -203316.0325 2487.7640 0.0000 0.0000 51997.8697 -109682.2085 298.8325 -161680.0782 -109308.0401 298.8052 -168.0821 -146.1376 760495.6185 -12.7736 -12.7936 PRESSURE: 2838600 -106.671 274.384 220.491 274.385 -285.566 112.048 220.491 112.049 -405.485 GPRESSURE: 2838600 -116.685 317.379 210.679 255.852 -213.68 114.083 88.6353 135.197 -393.196 PRESSAVG: 2838600 5.51176 -71.5827 37.8215 -71.5826 5.40957 -14.3205 37.8216 -14.3204 23.1465 GPRESSAVG: 2838600 5.12768 -69.3713 38.413 -73.8675 5.41596 -12.8475 37.5091 -14.4868 23.2695 TIMING: 2838600 CPU: 8971.83, 0.00315568/step Wall: 8971.83, 0.00315568/step, 1.89463 hours remaining, 239.183594 MB of memory in use. ENERGY: 2838600 3954.8050 20533.5977 14572.4657 249.1601 -203297.8805 2439.3211 0.0000 0.0000 52068.6737 -109479.8571 299.2394 -161548.5308 -109121.7483 299.0429 -265.9073 -241.1866 761410.2598 11.3559 11.2710 PRESSURE: 2838800 -141.238 -14.4764 79.5662 -14.4775 110.129 148.483 79.5664 148.484 199.532 GPRESSURE: 2838800 -140.074 31.9244 47.4461 40.795 172.946 191.851 87.5099 -7.32888 239.853 PRESSAVG: 2838800 -48.0573 11.4558 -3.57162 11.4557 15.4283 35.2076 -3.57161 35.2077 -0.943816 GPRESSAVG: 2838800 -47.1462 10.2278 -5.29375 10.3 14.8535 35.9445 -4.08321 34.47 -1.36972 TIMING: 2838800 CPU: 8972.46, 0.00316384/step Wall: 8972.46, 0.00316384/step, 1.89936 hours remaining, 239.183594 MB of memory in use. ENERGY: 2838800 3947.8165 20521.0340 14439.9180 231.0094 -202958.9410 2332.4969 0.0000 0.0000 51940.6771 -109545.9891 298.5038 -161486.6661 -109178.2269 298.8067 56.1410 90.9081 762876.9159 -11.1909 -11.2208 PRESSURE: 2839000 284.513 -84.4239 -181.133 -84.4238 -180.165 196.621 -181.133 196.621 113.876 GPRESSURE: 2839000 183.706 0.287235 -178.22 -154.37 -7.83688 187.435 -197.99 61.5621 134.32 PRESSAVG: 2839000 -48.8701 3.94312 15.653 3.94308 40.8393 29.8616 15.653 29.8617 9.11154 GPRESSAVG: 2839000 -49.8908 3.26355 17.6012 5.2252 40.587 27.3224 15.2759 30.3057 10.7515 TIMING: 2839000 CPU: 8973.1, 0.00317261/step Wall: 8973.1, 0.00317261/step, 1.90445 hours remaining, 239.183594 MB of memory in use. ENERGY: 2839000 3961.8673 20480.7339 14561.2388 239.5665 -203369.0171 2599.1053 0.0000 0.0000 52063.7817 -109462.7236 299.2113 -161526.5054 -109100.7719 298.8718 72.7412 103.3967 762113.8796 0.3602 0.4826 PRESSURE: 2839200 -199.747 -220.839 -232.399 -220.839 186.816 -146.933 -232.398 -146.934 355.716 GPRESSURE: 2839200 -198.529 -150.441 -150.997 -156.955 219.25 -158.055 -148.173 -41.9332 379.252 PRESSAVG: 2839200 -17.3762 -62.7403 -35.9028 -62.7403 -18.834 21.027 -35.9028 21.027 -9.08495 GPRESSAVG: 2839200 -16.5079 -61.479 -35.3221 -63.2183 -18.5653 21.6302 -34.1167 21.1329 -10.2833 TIMING: 2839200 CPU: 8973.73, 0.00316115/step Wall: 8973.73, 0.00316115/step, 1.89739 hours remaining, 239.183594 MB of memory in use. ENERGY: 2839200 4022.1130 20681.7171 14562.4518 246.8311 -203479.5642 2489.5431 0.0000 0.0000 52149.7587 -109327.1493 299.7054 -161476.9080 -108967.3752 299.1231 114.2615 133.3242 761043.8889 -15.0984 -15.1188 PRESSURE: 2839400 -76.012 86.9565 -8.0188 86.9565 -221.712 322.188 -8.01862 322.187 44.2186 GPRESSURE: 2839400 -71.3093 139.538 31.4204 84.5069 -133.857 440.951 -61.8875 210.075 46.01 PRESSAVG: 2839400 -15.5572 -100.627 -19.8187 -100.626 13.123 -44.6788 -19.8187 -44.6788 19.8553 GPRESSAVG: 2839400 -15.5734 -100.249 -20.8759 -101.679 13.1481 -43.6078 -20.0968 -44.7006 20.2762 TIMING: 2839400 CPU: 8974.36, 0.00315601/step Wall: 8974.36, 0.00315601/step, 1.89413 hours remaining, 239.183594 MB of memory in use. ENERGY: 2839400 4029.3391 20736.3293 14466.1744 258.3312 -203365.7073 2374.5796 0.0000 0.0000 52153.8801 -109347.0735 299.7291 -161500.9536 -108983.7271 299.4672 -84.5017 -53.0520 760991.7986 5.8070 5.9503 PRESSURE: 2839600 -336.201 -97.3866 129.366 -97.387 -20.1296 259.363 129.366 259.362 227.878 GPRESSURE: 2839600 -166.428 -43.5627 79.4268 -246.53 -16.3504 251.974 12.3241 251.149 167.147 PRESSAVG: 2839600 0.894159 -33.105 -37.0463 -33.105 -10.8904 -9.7035 -37.0463 -9.70346 -1.75862 GPRESSAVG: 2839600 1.09491 -32.3706 -37.0502 -32.2256 -10.2201 -11.1025 -37.9801 -8.21565 -2.33337 TIMING: 2839600 CPU: 8974.99, 0.00314061/step Wall: 8974.99, 0.00314061/step, 1.88472 hours remaining, 239.183594 MB of memory in use. ENERGY: 2839600 3968.4907 20596.3552 14460.2742 255.6372 -203436.6895 2619.4141 0.0000 0.0000 52159.4795 -109377.0386 299.7612 -161536.5181 -109010.9284 299.8290 -42.8175 -5.2105 760351.8969 -3.9183 -3.8195 PRESSURE: 2839800 91.9548 111.223 -137.582 111.223 -138.997 52.2092 -137.583 52.2081 543.623 GPRESSURE: 2839800 87.2043 1.07299 -191.748 94.3072 -67.086 -31.5801 -24.0901 14.2071 572.195 PRESSAVG: 2839800 20.1816 -67.4028 -2.91212 -67.4028 -48.5839 -36.1576 -2.9121 -36.1576 0.280309 GPRESSAVG: 2839800 19.5695 -69.2591 -3.96214 -67.4096 -48.1059 -36.5912 -2.20963 -36.0046 0.586345 TIMING: 2839800 CPU: 8975.62, 0.00313802/step Wall: 8975.62, 0.00313802/step, 1.88299 hours remaining, 239.183594 MB of memory in use. ENERGY: 2839800 3899.9619 20582.1218 14536.7740 234.7801 -203675.1597 2672.6504 0.0000 0.0000 52128.6865 -109620.1851 299.5843 -161748.8716 -109250.7345 299.0762 165.5268 197.4377 758929.8429 -9.3740 -9.3167 PRESSURE: 2840000 -323.382 -116.785 -257.43 -116.786 -342.099 -86.0728 -257.429 -86.0721 136.135 GPRESSURE: 2840000 -266.204 -85.8426 -211.66 -76.3625 -343.007 28.3533 -231.876 -22.9688 171.708 PRESSAVG: 2840000 63.4168 -62.3878 -40.2205 -62.3878 -45.2624 -3.09018 -40.2204 -3.09003 9.63958 GPRESSAVG: 2840000 63.92 -62.8201 -38.6406 -60.2821 -46.4057 -2.44281 -40.0934 -3.37106 9.94739 TIMING: 2840000 CPU: 8976.25, 0.00317077/step Wall: 8976.25, 0.00317077/step, 1.90246 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2840000 4017.0477 20467.1240 14557.5150 239.7497 -203002.6538 2123.8320 0.0000 0.0000 51844.0952 -109753.2903 297.9487 -161597.3855 -109393.4690 299.0260 -176.4486 -145.8342 761009.1326 9.2647 9.1539 PRESSURE: 2840200 -159.07 -12.7255 127.169 -12.7248 -81.3991 108.294 127.168 108.295 337.985 GPRESSURE: 2840200 -93.0693 41.8819 121.873 -41.8855 -24.7405 214.096 56.5848 77.1933 311.296 PRESSAVG: 2840200 11.8508 -28.0502 -21.572 -28.0502 16.0991 10.2726 -21.5721 10.2726 -9.45841 GPRESSAVG: 2840200 10.3791 -26.033 -23.2015 -31.4966 16.6876 10.6548 -23.7366 8.49772 -8.78945 TIMING: 2840200 CPU: 8976.88, 0.00315957/step Wall: 8976.88, 0.00315957/step, 1.89556 hours remaining, 239.183594 MB of memory in use. ENERGY: 2840200 3950.1446 20480.6970 14508.9427 240.2814 -203615.1618 2561.1642 0.0000 0.0000 52105.0394 -109768.8925 299.4484 -161873.9319 -109411.7361 298.7463 32.5054 64.4954 759754.3974 6.1638 6.0924 LDB: ============= START OF LOAD BALANCING ============== 8989.28 LDB: ============== END OF LOAD BALANCING =============== 8989.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8989.28 LDB: ============= START OF LOAD BALANCING ============== 8989.6 LDB: Largest compute 7025 load 0.033069 is 16.9% of average load 0.196114 LDB: Average compute 0.004371 is 2.2% of average load 0.196114 LDB: TIME 8989.6 LOAD: AVG 0.196114 MAX 0.216053 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 8989.6 LOAD: AVG 0.196114 MAX 0.216053 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 8989.6 LOAD: AVG 0.196114 MAX 0.216053 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 8989.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8989.61 PRESSURE: 2840400 -235.085 54.5925 -92.7924 54.5922 -258.86 72.926 -92.7923 72.9253 -450.405 GPRESSURE: 2840400 -289.802 81.1641 -7.20234 101.662 -207.086 21.3725 1.98458 52.3698 -380.584 PRESSAVG: 2840400 11.8568 -14.2297 -32.613 -14.2296 -15.8516 17.6452 -32.6131 17.6452 49.9671 GPRESSAVG: 2840400 12.3731 -14.397 -32.272 -14.3457 -15.6867 16.8594 -30.3006 18.5723 48.8449 TIMING: 2840400 CPU: 8977.53, 0.00322241/step Wall: 8977.53, 0.00322241/step, 1.93309 hours remaining, 239.636719 MB of memory in use. ENERGY: 2840400 4020.0442 20897.4473 14503.8876 251.0209 -203724.2943 2399.2583 0.0000 0.0000 52137.1980 -109515.4380 299.6332 -161652.6359 -109167.2285 299.2973 -314.7833 -292.4909 760459.8059 15.3241 15.1771 PRESSURE: 2840600 -233.269 47.1781 273.864 47.1782 -101.6 107.836 273.864 107.836 46.1561 GPRESSURE: 2840600 -171.32 -28.9358 303.685 -58.0133 -78.0182 158.981 262.928 80.5491 57.9976 PRESSAVG: 2840600 -40.2584 -10.5589 5.32036 -10.5589 29.2405 -1.59822 5.32035 -1.59816 -5.20488 GPRESSAVG: 2840600 -40.6293 -10.4057 5.85847 -11.1621 28.4911 0.0970995 6.26742 -0.792436 -4.04644 TIMING: 2840600 CPU: 8978.15, 0.00313398/step Wall: 8978.15, 0.00313398/step, 1.87987 hours remaining, 239.839844 MB of memory in use. ENERGY: 2840600 3937.7741 20539.0197 14486.7500 248.0234 -203231.0287 2453.9103 0.0000 0.0000 51818.3931 -109747.1580 297.8010 -161565.5511 -109374.5715 299.2991 -96.2378 -63.7803 760401.2037 -5.4076 -5.3949 PRESSURE: 2840800 -385.109 128.6 89.5167 128.599 283.011 64.702 89.517 64.703 512.673 GPRESSURE: 2840800 -152.992 22.6146 119.393 210.143 276.959 126.746 -65.099 -114.241 415.762 PRESSAVG: 2840800 -11.0769 -17.8438 28.7207 -17.8438 4.35618 51.9426 28.7207 51.9426 20.6586 GPRESSAVG: 2840800 -9.00145 -19.2862 28.7326 -15.7348 4.43914 51.0902 28.457 50.4457 18.388 TIMING: 2840800 CPU: 8978.78, 0.0031414/step Wall: 8978.78, 0.0031414/step, 1.88414 hours remaining, 239.839844 MB of memory in use. ENERGY: 2840800 3953.5948 20529.8139 14456.9110 228.2232 -203344.3646 2560.5127 0.0000 0.0000 52078.8726 -109536.4364 299.2980 -161615.3091 -109177.6300 298.5447 136.8583 179.9098 760346.2594 4.6460 4.6086 PRESSURE: 2841000 6.6367 38.8257 73.6783 38.8252 -144.045 -192.515 73.6786 -192.515 405.838 GPRESSURE: 2841000 0.981154 27.0496 50.2965 -37.1511 -64.7822 -181.758 -58.7281 -192.942 414.743 PRESSAVG: 2841000 -17.0703 -50.5465 52.3297 -50.5465 14.4323 -24.1401 52.3296 -24.1401 -13.3491 GPRESSAVG: 2841000 -17.8839 -50.9966 51.7553 -50.2723 13.4025 -25.7517 52.0724 -23.5126 -11.3351 TIMING: 2841000 CPU: 8979.41, 0.00314311/step Wall: 8979.41, 0.0031431/step, 1.88499 hours remaining, 239.839844 MB of memory in use. ENERGY: 2841000 3863.3028 20477.3560 14565.8531 248.8515 -203187.8713 2435.2448 0.0000 0.0000 52174.5733 -109422.6897 299.8480 -161597.2630 -109070.7843 299.5893 89.4766 116.9808 761049.9123 -5.3290 -5.2722 PRESSURE: 2841200 -7.54265 230.469 74.5419 230.469 -194.525 -23.5559 74.5433 -23.5556 98.949 GPRESSURE: 2841200 76.5885 347.373 109.607 221.705 -217.852 -29.1246 163.129 -38.5034 112.671 PRESSAVG: 2841200 23.2448 -47.7447 11.555 -47.7447 -5.05826 6.53602 11.5549 6.536 -19.988 GPRESSAVG: 2841200 23.8197 -46.3453 14.4714 -47.9033 -4.51096 9.73743 9.41484 5.4546 -22.1613 TIMING: 2841200 CPU: 8980.04, 0.00314633/step Wall: 8980.04, 0.00314633/step, 1.88675 hours remaining, 239.839844 MB of memory in use. ENERGY: 2841200 4047.0784 20292.8073 14637.7484 261.5647 -203773.0064 2806.6154 0.0000 0.0000 52307.4648 -109419.7274 300.6117 -161727.1922 -109060.7363 299.2107 -34.3730 -9.5308 759776.2747 -0.6005 -0.9509 PRESSURE: 2841400 19.0563 268.737 82.4009 268.737 217.384 -130.465 82.4014 -130.465 -111.634 GPRESSURE: 2841400 74.0823 111.77 47.462 188.367 173.891 24.3548 138.434 -100.656 -53.0558 PRESSAVG: 2841400 -6.45724 -19.6462 -20.6881 -19.6462 11.0312 -14.1775 -20.6881 -14.1775 -15.8623 GPRESSAVG: 2841400 -6.49295 -20.9113 -22.3922 -19.7018 9.58911 -13.9628 -18.0826 -14.0498 -14.1126 TIMING: 2841400 CPU: 8980.67, 0.00314523/step Wall: 8980.67, 0.00314523/step, 1.88591 hours remaining, 239.839844 MB of memory in use. ENERGY: 2841400 3945.8105 20531.3207 14503.7228 255.5474 -202986.5358 2179.0889 0.0000 0.0000 52171.7916 -109399.2539 299.8320 -161571.0455 -109031.9835 299.5945 41.6022 64.9725 759873.6468 -3.7628 -3.6721 PRESSURE: 2841600 15.3692 1.1926 -183.014 1.1934 161.334 12.5071 -183.012 12.5069 340.75 GPRESSURE: 2841600 63.3276 42.6523 -21.711 -30.2036 186.049 46.7737 -167.384 -129.772 345.169 PRESSAVG: 2841600 -27.3313 10.9119 6.78315 10.9118 41.7533 -4.21209 6.78324 -4.21211 14.5803 GPRESSAVG: 2841600 -28.7498 12.2511 6.14109 10.4935 43.1487 -5.88645 6.73307 -4.52352 14.5719 TIMING: 2841600 CPU: 8981.3, 0.00318274/step Wall: 8981.3, 0.00318274/step, 1.90823 hours remaining, 239.839844 MB of memory in use. ENERGY: 2841600 3966.4287 20506.4803 14541.9789 238.1698 -202899.4194 2466.2265 0.0000 0.0000 51969.2401 -109210.8951 298.6679 -161180.1352 -108841.6564 299.6435 172.4841 198.1817 757842.3360 9.6675 9.6569 PRESSURE: 2841800 -87.6744 -33.5602 6.97175 -33.5601 -32.6147 -242.309 6.97231 -242.308 -241.47 GPRESSURE: 2841800 -86.0906 -71.5304 -99.7377 19.6853 -36.2101 -216.343 -25.5025 -86.8866 -164.909 PRESSAVG: 2841800 -19.1645 -49.065 -10.0317 -49.0649 55.8497 20.9538 -10.0317 20.9539 -4.7762 GPRESSAVG: 2841800 -17.9046 -48.336 -10.1815 -49.6879 56.226 22.049 -9.83116 23.0681 -6.47567 TIMING: 2841800 CPU: 8981.94, 0.00315492/step Wall: 8981.94, 0.00315492/step, 1.89137 hours remaining, 239.839844 MB of memory in use. ENERGY: 2841800 4040.1681 20621.5916 14490.2305 251.6926 -202946.9330 2308.1698 0.0000 0.0000 52056.3007 -109178.7797 299.1683 -161235.0804 -108817.5995 299.4719 -120.5863 -95.7365 759442.6931 10.6364 10.6153 PRESSURE: 2842000 -14.516 25.7866 75.977 25.7869 -160.664 263.387 75.9771 263.387 -612.962 GPRESSURE: 2842000 44.2514 -65.1 52.3327 -36.9734 -159.001 186.814 39.6425 259.546 -596.688 PRESSAVG: 2842000 4.50845 -58.5692 -2.2227 -58.5692 7.84368 -23.3726 -2.22267 -23.3725 14.9611 GPRESSAVG: 2842000 3.45275 -59.643 -3.81712 -56.9066 6.96921 -23.4782 -2.7873 -23.4266 16.6062 TIMING: 2842000 CPU: 8982.56, 0.0031428/step Wall: 8982.56, 0.0031428/step, 1.88394 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2842000 3987.0624 20556.0178 14602.3792 242.0799 -202859.7804 2077.5595 0.0000 0.0000 51987.4136 -109407.2679 298.7724 -161394.6816 -109043.8431 299.8207 -262.7141 -237.1461 760249.3062 9.1044 9.0094 PRESSURE: 2842200 -51.3334 -45.5396 38.8965 -45.5395 -251.918 -205.669 38.8964 -205.67 -319.67 GPRESSURE: 2842200 -16.5491 -5.77381 76.6105 -136.167 -237.494 -80.5758 -105.764 -67.6621 -273.916 PRESSAVG: 2842200 6.30349 -30.3118 17.2138 -30.3118 7.41144 14.4628 17.2138 14.4629 4.31602 GPRESSAVG: 2842200 6.54377 -28.6633 19.6995 -32.807 6.71804 13.6059 16.5899 14.0701 4.23015 TIMING: 2842200 CPU: 8983.2, 0.00315455/step Wall: 8983.2, 0.00315455/step, 1.8908 hours remaining, 239.839844 MB of memory in use. ENERGY: 2842200 4000.2242 20568.6615 14567.2083 248.3694 -203146.8971 2292.6637 0.0000 0.0000 52110.7613 -109359.0088 299.4813 -161469.7701 -109013.3082 299.3307 -207.6404 -175.9863 759610.9940 6.0103 5.8307 PRESSURE: 2842400 37.183 13.1462 -50.1538 13.1461 344.574 39.8175 -50.1535 39.8188 279.105 GPRESSURE: 2842400 173.309 -20.3979 -103.075 59.36 301.67 -30.6858 32.9043 22.3796 267.772 PRESSAVG: 2842400 -1.84169 -89.502 6.13911 -89.502 4.38128 8.81973 6.13911 8.81975 -11.6682 GPRESSAVG: 2842400 0.477109 -89.6288 6.618 -88.1228 3.85798 9.02697 5.29604 8.95757 -13.6788 TIMING: 2842400 CPU: 8983.83, 0.00316182/step Wall: 8983.83, 0.00316182/step, 1.89498 hours remaining, 239.839844 MB of memory in use. ENERGY: 2842400 3985.6840 20383.5432 14575.6136 247.3949 -203347.2895 2642.5345 0.0000 0.0000 52036.7174 -109475.8020 299.0557 -161512.5194 -109107.4230 299.2685 220.2874 247.5840 758800.7028 -3.0429 -3.1146 PRESSURE: 2842600 396.233 213.861 -184.555 213.86 -29.2411 146.135 -184.554 146.136 149.167 GPRESSURE: 2842600 440.061 191.439 -143.894 241.188 -17.4261 131.952 -118.377 46.0346 174.419 PRESSAVG: 2842600 -9.66873 -1.32549 -17.4703 -1.32552 9.86808 40.1108 -17.4703 40.1108 8.41487 GPRESSAVG: 2842600 -11.4846 -0.986066 -18.0425 -1.68415 9.6991 39.3916 -17.5796 39.229 10.0818 TIMING: 2842600 CPU: 8984.46, 0.00315231/step Wall: 8984.46, 0.00315231/step, 1.88911 hours remaining, 239.839844 MB of memory in use. ENERGY: 2842600 3987.0413 20382.1199 14432.1835 263.0030 -203170.4360 2403.1547 0.0000 0.0000 52210.2999 -109492.6337 300.0533 -161702.9336 -109130.7801 298.9305 172.0532 199.0180 759644.1728 2.8714 2.7654 PRESSURE: 2842800 -294.462 102.067 98.6385 102.067 76.5599 39.6546 98.6384 39.6541 -10.8518 GPRESSURE: 2842800 -218.841 134.048 166.781 -12.3892 102.584 -76.8121 74.2177 94.9848 -14.4374 PRESSAVG: 2842800 46.2299 -0.409041 -16.98 -0.409016 -35.3151 5.31162 -16.98 5.31161 -13.8591 GPRESSAVG: 2842800 46.2356 -0.948342 -17.7227 0.381423 -34.4939 5.83128 -15.961 6.41636 -14.4084 TIMING: 2842800 CPU: 8985.09, 0.00317071/step Wall: 8985.09, 0.00317071/step, 1.89996 hours remaining, 239.839844 MB of memory in use. ENERGY: 2842800 3981.9106 20653.3125 14448.4659 231.4087 -203356.8632 2339.1825 0.0000 0.0000 52178.3110 -109524.2720 299.8695 -161702.5830 -109164.2769 299.5383 -76.2513 -43.5648 759800.6974 -0.9815 -0.8889 PRESSURE: 2843000 80.7788 116.975 157.577 116.975 -167.839 -148.753 157.577 -148.752 -252.035 GPRESSURE: 2843000 188.765 137.253 78.001 2.53293 -245.026 -144.704 118.675 -171.892 -189.901 PRESSAVG: 2843000 68.8963 -1.19884 -41.783 -1.19886 -41.1185 11.5015 -41.783 11.5015 -13.6632 GPRESSAVG: 2843000 68.7158 -3.11182 -41.6033 -0.000892485 -41.5131 12.2547 -40.4104 12.1224 -13.0248 TIMING: 2843000 CPU: 8985.72, 0.00315549/step Wall: 8985.72, 0.00315549/step, 1.89067 hours remaining, 239.839844 MB of memory in use. ENERGY: 2843000 3977.6104 20465.1338 14451.2458 246.7065 -203271.9144 2408.9386 0.0000 0.0000 52243.1560 -109479.1233 300.2421 -161722.2793 -109111.4551 299.3735 -113.0318 -82.0539 759401.5285 4.7049 4.7260 PRESSURE: 2843200 -244.32 -219.622 104.71 -219.622 -27.7853 -197.128 104.71 -197.127 -342.426 GPRESSURE: 2843200 -192.53 -82.8285 116.038 -169.591 -60.3368 -195.06 96.5671 -52.2123 -268.82 PRESSAVG: 2843200 -45.511 19.4465 17.7029 19.4465 14.8666 12.7826 17.703 12.7827 12.9728 GPRESSAVG: 2843200 -44.6165 21.0626 18.9162 16.7807 13.9818 14.3691 17.2738 12.2836 13.5222 TIMING: 2843200 CPU: 8986.35, 0.00315149/step Wall: 8986.35, 0.00315149/step, 1.88809 hours remaining, 239.839844 MB of memory in use. ENERGY: 2843200 4013.0700 20418.9772 14464.9313 231.6206 -203642.8450 2733.6059 0.0000 0.0000 52042.4222 -109738.2178 299.0885 -161780.6400 -109371.5777 299.3572 -204.8441 -173.8955 759950.3855 -5.8905 -5.7042 PRESSURE: 2843400 -111.016 -10.117 184.119 -10.1167 -228.565 106.961 184.12 106.962 -262.385 GPRESSURE: 2843400 -117.517 -121.701 183.531 -80.2237 -211.289 10.3465 64.9959 120.206 -188.759 PRESSAVG: 2843400 -8.49291 25.9169 48.4196 25.9169 12.0677 -7.07618 48.4196 -7.07621 1.96157 GPRESSAVG: 2843400 -8.81489 25.4237 47.6009 26.9829 13.1209 -8.65763 48.3054 -7.64638 1.28805 TIMING: 2843400 CPU: 8986.98, 0.00313373/step Wall: 8986.98, 0.00313373/step, 1.87728 hours remaining, 239.839844 MB of memory in use. ENERGY: 2843400 3967.2420 20713.7430 14369.6402 238.0255 -203085.4647 2191.6444 0.0000 0.0000 51897.2722 -109707.8973 298.2543 -161605.1695 -109350.6971 299.2742 -200.6557 -172.5216 762205.4563 1.8455 1.8647 PRESSURE: 2843600 -168.392 0.743295 152.847 0.743214 -71.8058 92.8269 152.846 92.827 251.076 GPRESSURE: 2843600 -227.332 26.563 100.805 -23.7335 39.4714 112.239 122.005 203.854 267.607 PRESSAVG: 2843600 31.8512 -52.5856 36.3252 -52.5856 -24.0601 -4.12487 36.3252 -4.12479 10.5098 GPRESSAVG: 2843600 31.2325 -53.028 36.5472 -51.8738 -23.059 -4.35022 37.3858 -3.01765 9.7421 TIMING: 2843600 CPU: 8987.61, 0.00314474/step Wall: 8987.61, 0.00314474/step, 1.8837 hours remaining, 239.839844 MB of memory in use. ENERGY: 2843600 4009.9163 20574.6508 14428.1972 237.8387 -203052.0610 2151.3355 0.0000 0.0000 51971.1074 -109679.0152 298.6787 -161650.1226 -109312.5271 298.7095 3.6258 26.5821 760272.6910 6.1003 5.9719 PRESSURE: 2843800 349.98 -320.358 164.787 -320.358 108.895 71.4801 164.787 71.4804 194.628 GPRESSURE: 2843800 303.738 -350.33 123.403 -367.336 171.833 122.172 182.014 106.543 272.026 PRESSAVG: 2843800 29.2478 -22.413 8.21879 -22.413 10.9508 14.1412 8.21882 14.1412 -5.7587 GPRESSAVG: 2843800 28.9919 -22.9148 7.74943 -24.0618 10.496 16.0377 6.73061 13.4682 -4.86593 TIMING: 2843800 CPU: 8988.24, 0.00314011/step Wall: 8988.24, 0.00314011/step, 1.88075 hours remaining, 239.839844 MB of memory in use. ENERGY: 2843800 3999.4608 20577.2745 14428.5952 254.6181 -203122.8215 2401.6191 0.0000 0.0000 51806.9192 -109654.3344 297.7351 -161461.2537 -109301.4523 299.0336 217.8345 249.1990 759523.3714 11.4800 11.5407 PRESSURE: 2844000 -126.23 -1.36209 100.769 -1.36368 161.216 -52.1413 100.771 -52.1404 10.6274 GPRESSURE: 2844000 -24.783 0.792232 65.3405 -16.0422 200.637 -152.075 65.1714 68.4258 -30.1316 PRESSAVG: 2844000 -1.95018 -64.5742 23.7625 -64.5742 2.31521 -33.3438 23.7625 -33.3438 -10.1451 GPRESSAVG: 2844000 -1.75226 -65.0049 22.1737 -62.7024 2.87205 -36.1367 25.4339 -32.3493 -11.119 TIMING: 2844000 CPU: 8988.87, 0.0031708/step Wall: 8988.87, 0.0031708/step, 1.89896 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2844000 3991.9878 20369.5522 14481.2630 232.2731 -203217.3973 2535.7281 0.0000 0.0000 52059.5136 -109547.0796 299.1867 -161606.5931 -109188.7689 298.9835 15.2047 48.5741 759360.4320 -3.2600 -3.3331 PRESSURE: 2844200 235.644 -197.723 -128.044 -197.722 -86.4053 121.309 -128.044 121.309 -326.661 GPRESSURE: 2844200 360.954 -257.676 -73.7091 -112.81 -88.2744 164.16 -155.899 94.0813 -358.864 PRESSAVG: 2844200 -3.40834 -69.8753 24.9895 -69.8752 19.552 18.9903 24.9894 18.9903 -2.4238 GPRESSAVG: 2844200 -2.39779 -67.7765 26.0769 -71.1585 18.8034 18.1449 23.5394 20.3445 -2.99931 TIMING: 2844200 CPU: 8989.51, 0.00316976/step Wall: 8989.51, 0.00316976/step, 1.89816 hours remaining, 239.839844 MB of memory in use. ENERGY: 2844200 3984.2906 20484.1689 14467.5178 256.2558 -202899.8479 1968.5894 0.0000 0.0000 52309.6288 -109429.3966 300.6242 -161739.0254 -109065.6547 299.3285 -59.1408 -28.7283 760318.6306 4.5733 4.4688 LDB: ============= START OF LOAD BALANCING ============== 9001.9 LDB: ============== END OF LOAD BALANCING =============== 9001.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9001.91 LDB: ============= START OF LOAD BALANCING ============== 9002.22 LDB: Largest compute 7058 load 0.033785 is 17.2% of average load 0.196038 LDB: Average compute 0.004382 is 2.2% of average load 0.196038 LDB: TIME 9002.23 LOAD: AVG 0.196038 MAX 0.215157 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 9002.23 LOAD: AVG 0.196038 MAX 0.215157 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 9002.23 LOAD: AVG 0.196038 MAX 0.215157 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: ============== END OF LOAD BALANCING =============== 9002.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9002.23 PRESSURE: 2844400 -272.951 67.2071 76.9166 67.2077 19.4761 54.2991 76.9162 54.2986 177.157 GPRESSURE: 2844400 -149.826 -17.6625 16.727 118.838 9.18254 149.43 106.7 -42.348 149.711 PRESSAVG: 2844400 -28.0229 -63.7436 -1.38047 -63.7436 -2.2273 -65.1162 -1.38045 -65.1162 -4.14549 GPRESSAVG: 2844400 -27.0395 -64.7908 -0.799111 -62.5298 -3.06709 -64.8065 -1.65486 -66.3735 -4.87245 TIMING: 2844400 CPU: 8990.15, 0.00322054/step Wall: 8990.15, 0.00322054/step, 1.92839 hours remaining, 239.125000 MB of memory in use. ENERGY: 2844400 3917.4145 20718.5484 14440.4946 257.0945 -203003.1338 2378.2543 0.0000 0.0000 51964.4843 -109326.8432 298.6406 -161291.3275 -108973.1430 299.3734 -25.4394 3.0228 760006.2184 -11.4652 -11.6597 PRESSURE: 2844600 44.5788 -60.5288 -96.5754 -60.5279 257.076 -241.045 -96.5745 -241.043 511.569 GPRESSURE: 2844600 93.906 -46.8543 -98.3364 -42.4228 346.927 -266.838 -115.077 -251.93 465.598 PRESSAVG: 2844600 37.925 13.7036 -60.3183 13.7035 1.85526 -37.7252 -60.3184 -37.7252 -0.529814 GPRESSAVG: 2844600 35.9574 13.3685 -60.0152 14.3277 2.71039 -37.7805 -58.7728 -35.8685 0.898774 TIMING: 2844600 CPU: 8990.78, 0.00315826/step Wall: 8990.78, 0.00315826/step, 1.89092 hours remaining, 239.328125 MB of memory in use. ENERGY: 2844600 3987.5221 20572.7800 14427.6711 248.6736 -203566.6731 2851.3436 0.0000 0.0000 51931.9933 -109546.6894 298.4539 -161478.6827 -109184.0135 299.0415 271.0747 302.1437 761504.3686 13.0835 13.1888 PRESSURE: 2844800 -383.518 -122.852 63.082 -122.852 -515.74 -173.749 63.0822 -173.749 -603.774 GPRESSURE: 2844800 -483.285 -172.56 -0.663662 -70.1361 -420.273 -120.685 93.4777 -156.75 -548.246 PRESSAVG: 2844800 -42.6454 -6.24163 15.3255 -6.24161 25.8216 -63.0795 15.3256 -63.0796 -2.04739 GPRESSAVG: 2844800 -42.1937 -7.77635 15.7574 -6.76345 25.5016 -60.7167 14.3844 -66.1134 -1.95408 TIMING: 2844800 CPU: 8991.41, 0.00316024/step Wall: 8991.41, 0.00316024/step, 1.89193 hours remaining, 239.328125 MB of memory in use. ENERGY: 2844800 4004.3797 20491.8570 14482.2159 251.9780 -203108.9414 2249.1070 0.0000 0.0000 52131.4392 -109497.9645 299.6001 -161629.4037 -109127.3115 298.7113 -501.0105 -483.9346 762343.1776 -6.2904 -6.2154 PRESSURE: 2845000 -38.9946 -93.3545 -130.759 -93.3553 93.3119 -201.794 -130.759 -201.793 28.3219 GPRESSURE: 2845000 59.1591 -27.8982 -93.834 -144.877 140.872 -154.667 -100.932 -189.527 -28.7977 PRESSAVG: 2845000 2.18794 54.9513 6.91765 54.9512 -8.26754 -0.544648 6.91762 -0.544731 10.5332 GPRESSAVG: 2845000 2.0765 57.7099 5.99395 51.8 -8.8135 0.475752 6.91988 -1.36602 11.4082 TIMING: 2845000 CPU: 8992.04, 0.00315184/step Wall: 8992.04, 0.00315184/step, 1.88673 hours remaining, 239.328125 MB of memory in use. ENERGY: 2845000 4048.9486 20464.5393 14432.9301 220.1652 -203573.9131 3008.6425 0.0000 0.0000 51821.3321 -109577.3551 297.8179 -161398.6873 -109223.0215 298.4668 27.5464 57.0779 760669.6127 1.4845 1.5571 PRESSURE: 2845200 -111.977 -112.018 13.0888 -112.018 -225.493 -49.2091 13.0899 -49.2091 -260.657 GPRESSURE: 2845200 -40.263 -125.889 59.5362 -109.783 -192.635 -1.14138 24.3179 122.45 -284.54 PRESSAVG: 2845200 26.9205 33.2378 -4.45711 33.2378 -0.827815 -23.7141 -4.45706 -23.714 -5.59134 GPRESSAVG: 2845200 27.3464 32.4666 -6.36988 36.7944 -0.910151 -25.5295 -2.50939 -19.9476 -5.85002 TIMING: 2845200 CPU: 8992.68, 0.00316083/step Wall: 8992.68, 0.00316083/step, 1.89193 hours remaining, 239.328125 MB of memory in use. ENERGY: 2845200 4029.5791 20565.8708 14449.3691 238.2831 -203371.6495 2516.2625 0.0000 0.0000 51799.6931 -109772.5918 297.6935 -161572.2850 -109412.0612 298.4835 -199.3753 -172.4793 761532.1813 6.8338 6.8621 PRESSURE: 2845400 13.0061 63.8528 144.654 63.8535 212.832 152.052 144.652 152.053 -55.3027 GPRESSURE: 2845400 52.5883 27.1722 110.361 13.5308 302.375 91.3832 77.6597 138.781 -98.5269 PRESSAVG: 2845400 46.8448 -16.8841 52.4733 -16.8842 -18.4956 -24.0818 52.4732 -24.0818 -19.1403 GPRESSAVG: 2845400 47.2943 -17.7407 53.4034 -17.947 -18.0623 -23.3675 49.1853 -25.6385 -19.9822 TIMING: 2845400 CPU: 8993.3, 0.0031434/step Wall: 8993.3, 0.0031434/step, 1.88133 hours remaining, 239.328125 MB of memory in use. ENERGY: 2845400 4020.3375 20534.8574 14452.1229 252.5175 -203525.4659 2588.7234 0.0000 0.0000 51901.6902 -109775.2171 298.2797 -161676.9073 -109409.4601 298.5417 56.8450 85.4787 761274.7672 3.0696 3.0833 PRESSURE: 2845600 -195.182 170.687 -0.258001 170.687 -56.7235 184.65 -0.257706 184.651 -7.88059 GPRESSURE: 2845600 -189.754 101.039 26.5698 130.137 -20.2648 132.251 -42.2811 144.811 28.6636 PRESSAVG: 2845600 19.2557 -5.86665 9.49472 -5.86669 -10.0769 -28.8111 9.49462 -28.8111 0.581216 GPRESSAVG: 2845600 18.2015 -7.34914 10.4312 -4.80361 -10.0406 -29.2409 9.05299 -31.018 1.46024 TIMING: 2845600 CPU: 8993.94, 0.00315951/step Wall: 8993.94, 0.00315951/step, 1.89079 hours remaining, 239.328125 MB of memory in use. ENERGY: 2845600 3984.9680 20411.7263 14461.8388 244.4950 -203354.8291 2400.7905 0.0000 0.0000 52040.0447 -109810.9657 299.0749 -161851.0105 -109456.7692 298.3967 -86.5954 -60.4516 760271.0988 3.2533 3.2070 PRESSURE: 2845800 -115.295 -83.5809 226.901 -83.58 -256.127 -2.95309 226.901 -2.95252 -427.532 GPRESSURE: 2845800 -98.2008 -76.8223 226.497 -66.7777 -118.318 58.4446 206.318 -82.4169 -477.411 PRESSAVG: 2845800 25.8486 -2.12095 -4.56868 -2.12093 5.0401 -61.1494 -4.56871 -61.1493 -3.38037 GPRESSAVG: 2845800 28.1151 -1.30961 -4.51938 -3.4937 3.55369 -60.9843 -2.38698 -61.5379 -3.39958 TIMING: 2845800 CPU: 8994.57, 0.00317642/step Wall: 8994.57, 0.00317642/step, 1.90074 hours remaining, 239.328125 MB of memory in use. ENERGY: 2845800 4044.8396 20490.3597 14518.3027 250.8856 -203427.3481 2384.3816 0.0000 0.0000 52191.9874 -109546.5915 299.9481 -161738.5789 -109180.3122 298.8257 -266.3176 -231.3100 760317.5946 9.1694 9.4231 PRESSURE: 2846000 145.532 -126.714 -27.6619 -126.715 6.21837 -205.896 -27.6623 -205.896 -219.665 GPRESSURE: 2846000 212.873 -171.397 -108.69 7.23892 -58.8612 -185.57 105.77 -190.571 -134.629 PRESSAVG: 2846000 -9.62942 -3.74685 30.1849 -3.74685 13.8137 -3.16775 30.1849 -3.1677 14.4912 GPRESSAVG: 2846000 -10.9446 -2.18837 30.0159 -4.28005 15.1951 -1.46088 29.969 -3.05972 14.1317 TIMING: 2846000 CPU: 8995.2, 0.00315626/step Wall: 8995.2, 0.00315626/step, 1.8885 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2846000 4031.4943 20409.7872 14486.0337 250.4727 -203164.6040 2241.9285 0.0000 0.0000 52113.8027 -109631.0849 299.4987 -161744.8876 -109269.7347 298.7706 -22.6382 6.4612 760704.8758 6.2252 6.1274 PRESSURE: 2846200 -398.706 -196.799 38.3056 -196.8 -466.466 -359.055 38.3053 -359.055 35.1256 GPRESSURE: 2846200 -389.49 -276.73 53.7451 -107.876 -307.414 -374.536 61.8709 -274.544 -32.769 PRESSAVG: 2846200 29.6982 -7.4683 -4.65791 -7.46831 11.8237 -39.1312 -4.65792 -39.1312 -16.0949 GPRESSAVG: 2846200 29.9918 -8.73665 -3.89575 -6.26251 12.8688 -39.3912 -3.73908 -37.6377 -16.7209 TIMING: 2846200 CPU: 8995.84, 0.00317967/step Wall: 8995.84, 0.00317967/step, 1.90233 hours remaining, 239.328125 MB of memory in use. ENERGY: 2846200 3959.9093 20479.2528 14509.5757 246.2835 -203128.0961 2285.2267 0.0000 0.0000 52152.3371 -109495.5109 299.7202 -161647.8480 -109129.5673 298.7242 -276.6824 -243.2243 761091.2046 8.4757 8.7132 PRESSURE: 2846400 111.927 -82.8729 -37.7599 -82.8728 164.483 -22.7302 -37.7594 -22.7303 297.696 GPRESSURE: 2846400 161.13 -198.793 45.6701 -47.7132 153.046 -1.18641 -176.361 37.8406 328.733 PRESSAVG: 2846400 -8.16048 -34.5989 10.703 -34.5989 -22.6409 -11.2484 10.703 -11.2483 10.3479 GPRESSAVG: 2846400 -8.11507 -34.6094 10.6843 -35.4488 -22.8213 -10.9694 9.87115 -11.6316 10.6189 TIMING: 2846400 CPU: 8996.47, 0.00317632/step Wall: 8996.47, 0.00317632/step, 1.90014 hours remaining, 239.328125 MB of memory in use. ENERGY: 2846400 3934.7015 20533.2438 14546.3886 257.9369 -203259.5728 2460.8121 0.0000 0.0000 51916.8772 -109609.6128 298.3670 -161526.4900 -109250.5187 299.4936 191.3684 214.3029 761539.1194 -6.8178 -6.7725 PRESSURE: 2846600 -273.466 -68.4479 -248.875 -68.4477 157.91 66.6308 -248.876 66.6322 19.1006 GPRESSURE: 2846600 -193.46 32.5809 -306.284 12.2423 234.439 83.7053 -367.515 -14.1101 -59.0203 PRESSAVG: 2846600 3.07352 -27.9628 -21.7994 -27.9628 -9.61017 -46.8123 -21.7995 -46.8122 -26.3696 GPRESSAVG: 2846600 3.44642 -26.375 -22.4723 -26.4903 -9.98058 -48.0198 -22.7387 -46.7795 -26.2248 TIMING: 2846600 CPU: 8997.1, 0.00314692/step Wall: 8997.1, 0.00314692/step, 1.88238 hours remaining, 239.328125 MB of memory in use. ENERGY: 2846600 3929.5662 20619.5830 14475.7754 234.2453 -203417.7011 2451.0310 0.0000 0.0000 52162.9458 -109544.5543 299.7812 -161707.5001 -109176.4951 299.2470 -32.1515 -6.0138 761647.3766 -10.9688 -10.9196 PRESSURE: 2846800 58.7893 -322.691 28.6642 -322.692 146.536 -160.694 28.6637 -160.694 67.5474 GPRESSURE: 2846800 113.242 -254.008 33.9884 -268.424 230.652 -124.248 -45.3092 -176.329 23.1328 PRESSAVG: 2846800 -17.3141 -62.0678 5.1585 -62.0678 55.8547 43.2794 5.15849 43.2794 28.8973 GPRESSAVG: 2846800 -15.3471 -63.2328 4.4431 -64.2342 55.6847 43.3327 6.88011 44.2738 27.0662 TIMING: 2846800 CPU: 8997.74, 0.00316479/step Wall: 8997.74, 0.00316479/step, 1.8929 hours remaining, 239.328125 MB of memory in use. ENERGY: 2846800 4027.9296 20492.8817 14561.0970 243.3047 -203385.3991 2557.1216 0.0000 0.0000 52021.4436 -109481.6208 298.9680 -161503.0645 -109126.8752 299.1849 90.9577 122.3422 760624.1623 22.4793 22.4679 PRESSURE: 2847000 101.096 -29.6475 80.8856 -29.6475 214.265 129.456 80.8862 129.457 -48.5055 GPRESSURE: 2847000 91.6267 -83.3881 34.2117 0.157445 235.801 144.082 0.776463 117.261 25.0649 PRESSAVG: 2847000 0.196493 29.2222 -25.2091 29.2222 30.0793 39.6753 -25.2091 39.6754 5.43996 GPRESSAVG: 2847000 -2.97691 26.6812 -26.1525 32.1794 30.5147 39.9501 -23.7541 38.6715 8.50995 TIMING: 2847000 CPU: 8998.37, 0.00316216/step Wall: 8998.37, 0.00316216/step, 1.89114 hours remaining, 239.328125 MB of memory in use. ENERGY: 2847000 3949.8779 20579.7170 14479.6152 234.1494 -203454.9109 2810.2682 0.0000 0.0000 52132.1096 -109269.1737 299.6040 -161401.2832 -108907.4723 299.1045 88.9519 117.4975 762009.0913 11.9052 12.0159 PRESSURE: 2847200 22.3161 -12.263 70.3229 -12.2634 -317.285 -6.85269 70.323 -6.85283 -280.15 GPRESSURE: 2847200 -56.5278 75.2645 187.016 32.1724 -191.314 -41.2736 202.026 -76.2759 -247.529 PRESSAVG: 2847200 0.3078 -33.4622 35.2835 -33.4622 -24.2957 5.09877 35.2836 5.09886 -3.94604 GPRESSAVG: 2847200 1.72485 -32.9752 36.516 -34.8808 -25.4662 6.01655 33.1135 4.50623 -4.62489 TIMING: 2847200 CPU: 8999, 0.00314729/step Wall: 8999, 0.00314729/step, 1.88208 hours remaining, 239.328125 MB of memory in use. ENERGY: 2847200 4086.9720 20631.3564 14536.9744 247.0269 -202909.2969 2269.4485 0.0000 0.0000 51855.7068 -109281.8120 298.0155 -161137.5187 -108921.0015 299.7121 -191.7062 -165.1234 763754.0755 -9.3113 -9.4554 PRESSURE: 2847400 -202.733 -22.2293 -131.914 -22.2298 -289.421 -91.7501 -131.915 -91.7506 -125.924 GPRESSURE: 2847400 -153.844 16.5002 -58.9772 -4.41247 -204.443 -150.366 -21.2133 114.735 -173.8 PRESSAVG: 2847400 62.7051 -70.9818 -37.427 -70.9818 -56.8355 -25.244 -37.427 -25.244 2.3298 GPRESSAVG: 2847400 61.8086 -70.8823 -37.0239 -68.9771 -55.9388 -25.0268 -35.7629 -23.0955 2.16686 TIMING: 2847400 CPU: 8999.63, 0.00313889/step Wall: 8999.63, 0.00313888/step, 1.87688 hours remaining, 239.328125 MB of memory in use. ENERGY: 2847400 3991.1189 20566.5903 14488.3947 230.4500 -203169.3567 2406.5371 0.0000 0.0000 52288.1343 -109198.1315 300.5006 -161486.2657 -108838.0936 299.6118 -206.0259 -177.3624 762246.9838 2.7331 2.6789 PRESSURE: 2847600 382.723 -296.68 36.1715 -296.681 51.0318 170.442 36.1707 170.443 -183.064 GPRESSURE: 2847600 379.225 -155.732 -32.06 -256.131 59.9919 62.1844 27.1829 170.838 -83.1001 PRESSAVG: 2847600 9.70697 -12.4205 17.0769 -12.4205 -99.0656 -44.4941 17.0769 -44.4941 14.3761 GPRESSAVG: 2847600 10.6305 -10.4903 16.4476 -14.5248 -99.565 -43.7515 15.6878 -46.138 14.0533 TIMING: 2847600 CPU: 9000.26, 0.00314603/step Wall: 9000.26, 0.00314603/step, 1.88098 hours remaining, 239.328125 MB of memory in use. ENERGY: 2847600 3954.3162 20630.1518 14483.6070 247.2359 -203409.2891 2691.8664 0.0000 0.0000 52040.8707 -109361.2411 299.0796 -161402.1118 -108999.8948 300.0607 83.5636 118.7055 761543.9359 -24.9942 -24.9604 PRESSURE: 2847800 229.523 90.1748 -32.5269 90.1753 -239.517 -111.981 -32.5261 -111.981 -434.58 GPRESSURE: 2847800 240.442 69.8849 -18.3128 91.4654 -216.392 -73.3455 -27.9164 -84.2906 -391.011 PRESSAVG: 2847800 -21.7016 -26.5825 16.679 -26.5825 43.861 11.7727 16.6789 11.7727 30.9388 GPRESSAVG: 2847800 -22.0087 -28.5342 17.3848 -25.7525 44.9771 10.5017 16.6411 9.27975 30.0915 TIMING: 2847800 CPU: 9000.89, 0.00315791/step Wall: 9000.89, 0.00315791/step, 1.8879 hours remaining, 239.328125 MB of memory in use. ENERGY: 2847800 4040.6293 20649.8119 14527.7392 243.4999 -203439.5698 2619.9402 0.0000 0.0000 52096.1358 -109261.8135 299.3972 -161357.9493 -108904.3504 299.9402 -148.1913 -122.3202 761396.7996 17.6994 17.6866 PRESSURE: 2848000 -34.8344 -199.452 64.0025 -199.452 48.0076 -261.432 64.0033 -261.432 -249.519 GPRESSURE: 2848000 48.974 -127.046 92.828 -86.0838 38.6128 -282.177 -50.9156 -285.494 -227.598 PRESSAVG: 2848000 3.40411 -17.657 13.2147 -17.657 12.3507 -27.2315 13.2147 -27.2314 11.4772 GPRESSAVG: 2848000 3.61454 -17.2239 12.0159 -16.8343 12.5458 -27.7466 13.1737 -24.0212 11.0435 TIMING: 2848000 CPU: 9001.52, 0.00314436/step Wall: 9001.52, 0.00314436/step, 1.87963 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2848000 3995.8697 20631.3105 14460.9375 248.2575 -203360.1881 2589.0807 0.0000 0.0000 52371.6694 -109063.0628 300.9807 -161434.7322 -108688.1864 300.2320 -78.7818 -46.6703 758994.6809 9.0773 9.0679 PRESSURE: 2848200 157.958 191.12 -109.405 191.121 -47.673 105.344 -109.405 105.344 -204.307 GPRESSURE: 2848200 85.1487 153.554 -44.5225 65.2173 119.971 146.107 -113.496 115.153 -183.486 PRESSAVG: 2848200 -4.37115 -17.4698 23.673 -17.4699 28.766 -16.6962 23.6731 -16.6962 -25.1466 GPRESSAVG: 2848200 -5.32729 -18.0443 25.7536 -19.1307 28.09 -16.1059 22.7265 -17.2814 -23.9551 TIMING: 2848200 CPU: 9002.15, 0.00315239/step Wall: 9002.15, 0.00315239/step, 1.88426 hours remaining, 239.328125 MB of memory in use. ENERGY: 2848200 4048.6625 20581.8994 14508.2517 252.8294 -203108.4390 2538.3235 0.0000 0.0000 52203.8881 -108974.5845 300.0165 -161178.4726 -108615.9877 300.4923 -31.3407 7.2113 759936.9054 -0.2506 -0.3975 LDB: ============= START OF LOAD BALANCING ============== 9014.54 LDB: ============== END OF LOAD BALANCING =============== 9014.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9014.55 LDB: ============= START OF LOAD BALANCING ============== 9014.86 LDB: Largest compute 7058 load 0.034577 is 17.6% of average load 0.196031 LDB: Average compute 0.004382 is 2.2% of average load 0.196031 LDB: TIME 9014.86 LOAD: AVG 0.196031 MAX 0.216505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.02 MB LDB: TIME 9014.86 LOAD: AVG 0.196031 MAX 0.216505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.02 MB LDB: TIME 9014.86 LOAD: AVG 0.196031 MAX 0.216505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.02 MB LDB: ============== END OF LOAD BALANCING =============== 9014.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9014.87 PRESSURE: 2848400 -148.86 72.7992 97.1956 72.7994 -131.42 62.5153 97.195 62.5145 -377.236 GPRESSURE: 2848400 10.0625 137.167 114.973 70.9246 -187.069 10.5214 120.945 18.441 -388.784 PRESSAVG: 2848400 -16.1331 -47.1206 -5.93965 -47.1206 -7.37265 31.0811 -5.93969 31.0811 19.2271 GPRESSAVG: 2848400 -15.6585 -45.9354 -6.70606 -47.4764 -7.43315 30.9969 -5.32744 31.0385 18.625 TIMING: 2848400 CPU: 9002.79, 0.00321172/step Wall: 9002.79, 0.00321172/step, 1.91954 hours remaining, 238.730469 MB of memory in use. ENERGY: 2848400 4023.6815 20644.7872 14439.5176 238.0424 -203113.9312 2337.9696 0.0000 0.0000 52301.3232 -109128.6097 300.5764 -161429.9329 -108763.4849 300.2211 -219.1718 -188.5966 760025.9048 -1.4262 -1.4889 PRESSURE: 2848600 -76.2547 -152.223 -19.8177 -152.223 218.609 -105.525 -19.8171 -105.523 246.507 GPRESSURE: 2848600 -22.7819 -177.213 -33.987 -85.4658 267.298 -148.31 -45.0869 -178.587 214.921 PRESSAVG: 2848600 -15.4631 -35.8211 -11.8094 -35.8211 -41.573 33.5535 -11.8094 33.5536 -21.8127 GPRESSAVG: 2848600 -14.5115 -36.0781 -10.953 -33.9557 -42.7419 33.8257 -13.6669 33.5078 -21.3874 TIMING: 2848600 CPU: 9003.42, 0.00315627/step Wall: 9003.42, 0.00315627/step, 1.88622 hours remaining, 238.730469 MB of memory in use. ENERGY: 2848600 3988.9545 20603.5389 14482.9808 246.0306 -203077.3274 2651.4640 0.0000 0.0000 52099.7037 -109004.6548 299.4177 -161104.3586 -108645.5057 299.9931 129.6203 153.1457 762255.9685 -26.2829 -26.2136 PRESSURE: 2848800 36.1138 80.4771 51.2399 80.4779 381.724 95.5612 51.2395 95.5599 108.316 GPRESSURE: 2848800 78.1215 74.6115 4.6118 56.0276 425.119 179.62 49.9764 55.3309 101.446 PRESSAVG: 2848800 7.15779 -22.0785 24.5 -22.0784 15.6451 -17.0237 24.5 -17.0237 13.3605 GPRESSAVG: 2848800 6.33154 -22.2925 24.5822 -20.9912 16.0458 -17.1051 25.2272 -17.0345 13.4952 TIMING: 2848800 CPU: 9004.05, 0.00315149/step Wall: 9004.05, 0.00315149/step, 1.88319 hours remaining, 238.730469 MB of memory in use. ENERGY: 2848800 3944.1199 20638.1573 14447.2032 233.0972 -202989.6384 2475.3257 0.0000 0.0000 52314.5660 -108937.1691 300.6525 -161251.7350 -108571.5263 300.3977 175.3847 201.5623 760728.6302 12.0544 11.9575 PRESSURE: 2849000 205.04 79.6202 38.4452 79.6201 271.856 -31.7637 38.4445 -31.7637 56.8581 GPRESSURE: 2849000 236.059 30.4672 76.1716 103.121 423.022 5.97735 93.2425 16.8574 -36.8921 PRESSAVG: 2849000 -18.2362 -62.4405 33.7152 -62.4406 40.3237 -25.8243 33.7152 -25.8243 -0.833625 GPRESSAVG: 2849000 -17.3936 -63.1368 33.8466 -63.766 39.5699 -25.7046 35.007 -25.0113 -1.09019 TIMING: 2849000 CPU: 9004.68, 0.00315366/step Wall: 9004.68, 0.00315366/step, 1.88431 hours remaining, 238.730469 MB of memory in use. ENERGY: 2849000 3995.4042 20392.3199 14529.8991 255.0319 -203260.4240 2694.6995 0.0000 0.0000 52399.3086 -108993.7607 301.1395 -161393.0693 -108627.5679 300.7527 177.9180 207.3964 760521.3913 7.0846 7.0287 PRESSURE: 2849200 -61.1126 205.785 72.882 205.785 98.4524 77.931 72.8827 77.9311 36.784 GPRESSURE: 2849200 -16.4317 238.537 240.426 241.928 103.528 24.4651 -41.8003 33.4315 72.5951 PRESSAVG: 2849200 -16.635 -27.7998 59.544 -27.7998 28.9527 11.275 59.544 11.2749 8.85977 GPRESSAVG: 2849200 -15.9599 -27.33 59.2245 -28.6493 29.1466 11.7988 58.2006 10.7577 8.0152 TIMING: 2849200 CPU: 9005.31, 0.00315581/step Wall: 9005.31, 0.00315581/step, 1.88542 hours remaining, 238.730469 MB of memory in use. ENERGY: 2849200 4050.9169 20733.4611 14529.4362 245.2343 -202938.1332 2440.3077 0.0000 0.0000 52117.6899 -108821.0872 299.5211 -160938.7771 -108467.8253 300.6201 24.7079 53.2304 761635.3192 7.0592 7.0673 PRESSURE: 2849400 -163.105 -175.919 51.2076 -175.919 -199.863 -111.344 51.2079 -111.344 -49.5084 GPRESSURE: 2849400 -72.473 -88.3872 103.182 -175.034 -230.117 -196.613 -33.3213 -39.4075 -5.08377 PRESSAVG: 2849400 -58.4197 10.3541 65.1952 10.3541 84.2382 -47.1725 65.1952 -47.1725 8.80224 GPRESSAVG: 2849400 -59.1956 9.51324 65.782 11.3871 84.0146 -48.7049 64.6285 -48.0031 9.86096 TIMING: 2849400 CPU: 9005.95, 0.0031675/step Wall: 9005.95, 0.0031675/step, 1.89223 hours remaining, 238.730469 MB of memory in use. ENERGY: 2849400 4057.2829 20577.4165 14506.2747 236.1909 -202975.4528 2348.7846 0.0000 0.0000 52226.7405 -109022.7626 300.1478 -161249.5032 -108658.5418 300.8665 -137.4924 -102.5579 761371.4462 11.5402 11.5600 PRESSURE: 2849600 7.15035 -10.9426 -159.586 -10.9429 -115.868 -119.719 -159.586 -119.718 -30.7584 GPRESSURE: 2849600 -26.0957 -103.773 -162.502 -38.7751 -80.6451 -118.966 -87.4711 17.3807 50.1636 PRESSAVG: 2849600 1.23909 27.2454 25.3138 27.2454 -50.9822 -21.4553 25.3139 -21.4553 2.11068 GPRESSAVG: 2849600 1.81457 25.3253 24.4571 26.3487 -51.2126 -19.6192 25.9124 -20.5908 1.2937 TIMING: 2849600 CPU: 9006.58, 0.00316053/step Wall: 9006.58, 0.00316053/step, 1.88789 hours remaining, 238.730469 MB of memory in use. ENERGY: 2849600 4007.5616 20468.1183 14432.9517 241.9136 -203087.3437 2778.2001 0.0000 0.0000 52148.7387 -109009.8596 299.6995 -161158.5983 -108642.4038 299.8606 -46.4921 -18.8591 761885.8532 -15.8775 -16.0348 PRESSURE: 2849800 -171.854 -127.96 57.085 -127.959 130.667 3.7018 57.0851 3.70165 330.272 GPRESSURE: 2849800 -104.165 -57.5552 10.9007 -189.987 192.843 9.98226 132.403 30.2897 286.164 PRESSAVG: 2849800 -6.5321 -1.8569 -67.782 -1.85684 10.1742 3.16113 -67.7821 3.1612 -2.37608 GPRESSAVG: 2849800 -7.11095 -0.261216 -67.7882 -2.37117 9.59501 2.26246 -66.9765 4.54207 -0.989892 TIMING: 2849800 CPU: 9007.21, 0.00317734/step Wall: 9007.21, 0.00317734/step, 1.89776 hours remaining, 238.730469 MB of memory in use. ENERGY: 2849800 4021.6135 20582.6204 14432.5128 237.3279 -202973.9924 2584.2239 0.0000 0.0000 52113.7266 -109001.9674 299.4983 -161115.6940 -108643.9633 299.9415 96.3618 124.9475 760388.2169 0.4220 0.4981 PRESSURE: 2850000 133.568 -151.016 -127.772 -151.016 193.179 -19.9925 -127.772 -19.9939 276.158 GPRESSURE: 2850000 274.329 -113.89 -77.4977 -150.742 216.373 -3.6379 8.78761 75.3328 183.471 PRESSAVG: 2850000 -35.5891 -46.0497 9.55378 -46.0497 35.6497 -0.398991 9.55373 -0.398982 -2.67745 GPRESSAVG: 2850000 -34.635 -43.976 9.43128 -44.9703 35.6623 0.299495 9.45448 -0.310617 -3.16725 TIMING: 2850000 CPU: 9007.85, 0.00317213/step Wall: 9007.85, 0.00317212/step, 1.89446 hours remaining, 238.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2850000 3912.1557 20447.9312 14529.9397 246.9483 -203247.6552 2779.8241 0.0000 0.0000 52238.1446 -109092.7116 300.2133 -161330.8562 -108721.3388 299.7343 200.9682 224.7243 761329.0582 -0.8723 -0.7133 PRESSURE: 2850200 126.673 -64.5299 -54.2733 -64.5298 258.152 21.9804 -54.2738 21.9803 20.8051 GPRESSURE: 2850200 205.073 -122.956 -62.5982 -78.8639 292.587 88.0547 -54.3912 63.618 -12.4646 PRESSAVG: 2850200 16.4532 -45.4304 30.0079 -45.4304 -19.7243 -40.6649 30.0079 -40.665 -23.7898 GPRESSAVG: 2850200 15.6852 -46.6191 30.1628 -44.7507 -18.2065 -42.1459 31.3772 -39.2352 -24.3173 TIMING: 2850200 CPU: 9008.48, 0.00316544/step Wall: 9008.48, 0.00316544/step, 1.8903 hours remaining, 238.730469 MB of memory in use. ENERGY: 2850200 3925.6118 20702.0974 14461.4288 275.8646 -203304.1256 2590.5452 0.0000 0.0000 52098.6699 -109249.9079 299.4118 -161348.5778 -108895.3262 300.1935 135.2100 161.7320 761598.4950 -9.0203 -8.9462 PRESSURE: 2850400 -348.38 -184.753 37.2961 -184.752 92.6632 -59.9585 37.296 -59.959 -489.174 GPRESSURE: 2850400 -341.406 -283.77 111.18 -272.111 95.9549 28.2937 27.3009 -45.5441 -402.281 PRESSAVG: 2850400 -42.7455 -80.4962 -24.1309 -80.4963 52.4543 -65.676 -24.1309 -65.676 4.06316 GPRESSAVG: 2850400 -43.7399 -82.2901 -23.803 -80.2631 52.6943 -65.9398 -25.5943 -66.97 4.89956 TIMING: 2850400 CPU: 9009.12, 0.00317261/step Wall: 9009.12, 0.00317261/step, 1.8944 hours remaining, 238.730469 MB of memory in use. ENERGY: 2850400 3985.1757 20411.8913 14538.0442 242.0343 -203230.1655 2478.8729 0.0000 0.0000 52339.5022 -109234.6449 300.7958 -161574.1471 -108872.2612 299.9266 -248.2971 -215.9105 763190.2306 4.5906 4.6180 PRESSURE: 2850600 -21.5807 -59.762 -144.228 -59.7616 136.014 -166.564 -144.229 -166.563 -216.379 GPRESSURE: 2850600 89.389 -62.5138 -93.1771 -103.027 172.875 -117.576 -114.466 -44.6704 -259.971 PRESSAVG: 2850600 -48.2941 -35.5262 1.52313 -35.5262 76.6704 -74.6118 1.52316 -74.6117 -27.0362 GPRESSAVG: 2850600 -47.4252 -33.8499 0.634678 -35.9589 76.7353 -73.4416 3.16068 -73.9643 -28.0198 TIMING: 2850600 CPU: 9009.75, 0.00316899/step Wall: 9009.75, 0.00316899/step, 1.89206 hours remaining, 238.730469 MB of memory in use. ENERGY: 2850600 4030.8049 20383.3052 14463.5858 235.1994 -203185.5974 2627.5351 0.0000 0.0000 52372.3417 -109072.8253 300.9846 -161445.1670 -108706.3162 300.6198 -33.9820 0.7644 762458.8707 0.4467 0.4301 PRESSURE: 2850800 -128.042 -12.0925 -125.253 -12.0933 150.068 -261.99 -125.253 -261.989 253.233 GPRESSURE: 2850800 -94.4316 -64.3322 -61.7007 -116.814 157.717 -253.516 -264.5 -196.11 270.379 PRESSAVG: 2850800 8.12959 -39.808 -46.9106 -39.808 -0.401675 -80.2319 -46.9106 -80.2318 -10.2334 GPRESSAVG: 2850800 8.13961 -39.8312 -47.1713 -41.888 -0.810349 -79.5819 -47.487 -81.8987 -9.85055 TIMING: 2850800 CPU: 9010.38, 0.00315788/step Wall: 9010.38, 0.00315788/step, 1.88525 hours remaining, 238.730469 MB of memory in use. ENERGY: 2850800 3964.4249 20467.6989 14501.0145 250.2615 -203478.7938 2713.4481 0.0000 0.0000 52221.7270 -109360.2187 300.1190 -161581.9458 -108987.0391 300.0236 91.7531 111.2214 762679.8957 -0.8351 -0.8404 PRESSURE: 2851000 220.43 216.741 -215.843 216.741 84.5833 -128.527 -215.842 -128.527 333.014 GPRESSURE: 2851000 260.72 143.521 -206.793 280.028 134.472 -94.7848 -201.217 -126.208 316.643 PRESSAVG: 2851000 -33.0291 -2.10102 -5.23202 -2.10107 -44.8092 -70.608 -5.232 -70.6081 -30.1335 GPRESSAVG: 2851000 -33.4035 -3.21189 -5.45485 -0.348332 -43.913 -71.4965 -4.85385 -70.8619 -29.9969 TIMING: 2851000 CPU: 9011.01, 0.0031682/step Wall: 9011.01, 0.0031682/step, 1.89124 hours remaining, 238.730469 MB of memory in use. ENERGY: 2851000 3917.3617 20473.7597 14471.3210 246.8148 -203489.4093 2964.5341 0.0000 0.0000 52116.0450 -109299.5730 299.5116 -161415.6180 -108928.5041 299.3473 212.6757 237.2783 762326.1869 -35.9906 -35.7711 PRESSURE: 2851200 -115.002 -233.525 -132.875 -233.526 -261.152 6.08411 -132.876 6.08426 -230.236 GPRESSURE: 2851200 -83.634 -137.63 -134.466 -176.772 -221.665 -60.4484 -62.4238 67.8996 -233.838 PRESSAVG: 2851200 46.4521 -34.8398 0.415788 -34.8398 -23.2193 -50.8214 0.41584 -50.8215 -6.93977 GPRESSAVG: 2851200 46.7444 -34.3037 0.630163 -35.515 -24.3434 -51.233 0.899463 -50.0864 -5.74379 TIMING: 2851200 CPU: 9011.64, 0.00314801/step Wall: 9011.64, 0.00314801/step, 1.87901 hours remaining, 238.730469 MB of memory in use. ENERGY: 2851200 4007.8120 20534.5487 14477.0196 243.3147 -203007.8803 2389.0764 0.0000 0.0000 52084.6091 -109271.4998 299.3310 -161356.1089 -108914.0143 299.6214 -202.1298 -179.7123 762010.1270 5.4310 5.5524 PRESSURE: 2851400 -261.351 199.159 7.02871 199.157 -247.59 45.2227 7.02897 45.2223 -256.221 GPRESSURE: 2851400 -212.025 169.573 92.8407 123.473 -174.18 -29.8504 3.22693 72.4517 -283.291 PRESSAVG: 2851400 43.8995 15.7289 -40.3367 15.7289 -8.20228 -33.2321 -40.3367 -33.232 15.4416 GPRESSAVG: 2851400 45.1148 17.2218 -39.1874 14.986 -6.6276 -33.1822 -41.0817 -33.6028 12.6187 TIMING: 2851400 CPU: 9012.28, 0.00315899/step Wall: 9012.28, 0.00315899/step, 1.88539 hours remaining, 238.730469 MB of memory in use. ENERGY: 2851400 4032.4225 20628.3797 14432.8699 236.6942 -203005.3389 2322.4308 0.0000 0.0000 52141.4638 -109211.0779 299.6577 -161352.5417 -108862.0482 299.9629 -255.0539 -223.1654 761677.5892 17.0463 17.0353 PRESSURE: 2851600 -132.496 -196.688 -62.1491 -196.688 -38.8913 146.983 -62.1493 146.983 -39.4298 GPRESSURE: 2851600 -121.489 -80.4687 -17.4416 -187.964 -20.351 201.054 48.0043 160.112 10.7026 PRESSAVG: 2851600 11.2654 -22.5726 -39.1532 -22.5726 15.9053 30.2139 -39.1533 30.2138 25.0545 GPRESSAVG: 2851600 10.8851 -26.8794 -40.7123 -19.8082 14.0615 30.246 -37.2978 30.4412 26.9663 TIMING: 2851600 CPU: 9012.91, 0.00315588/step Wall: 9012.91, 0.00315588/step, 1.88336 hours remaining, 238.730469 MB of memory in use. ENERGY: 2851600 3989.6290 20442.9934 14477.8905 238.0268 -203165.5359 2538.3932 0.0000 0.0000 52222.0838 -109256.5192 300.1210 -161478.6030 -108888.4568 299.6694 -70.2725 -43.7124 762625.9430 17.4084 17.3043 PRESSURE: 2851800 -169.43 -186.594 233.824 -186.594 16.1514 188.601 233.824 188.6 335.318 GPRESSURE: 2851800 -103.619 -164.94 187.864 -55.6721 -28.0047 197.68 240.312 -10.0558 384.423 PRESSAVG: 2851800 -11.658 -1.89846 -49.2592 -1.89842 12.8441 15.5693 -49.2592 15.5693 -21.2964 GPRESSAVG: 2851800 -11.3866 0.870961 -49.0246 -3.74375 12.6099 14.8179 -48.9385 12.8838 -21.308 TIMING: 2851800 CPU: 9013.54, 0.00314618/step Wall: 9013.54, 0.00314618/step, 1.8774 hours remaining, 238.730469 MB of memory in use. ENERGY: 2851800 3901.2812 20460.8572 14528.2446 277.1605 -203840.5199 2935.3971 0.0000 0.0000 52212.3696 -109525.2097 300.0652 -161737.5793 -109161.7831 299.4277 60.6796 84.2661 760503.6564 -6.7034 -6.6949 PRESSURE: 2852000 -26.0733 -36.9883 175.458 -36.9872 -43.0525 161.104 175.457 161.103 -44.9442 GPRESSURE: 2852000 2.46939 32.5401 121.623 -69.7756 -0.168369 76.8436 86.6974 165.207 -32.2632 PRESSAVG: 2852000 58.5318 36.5877 -63.2458 36.5877 -40.0145 -26.1694 -63.2458 -26.1694 19.4714 GPRESSAVG: 2852000 59.309 36.1269 -63.7043 35.536 -38.4995 -25.7067 -64.9638 -22.6576 17.7777 TIMING: 2852000 CPU: 9014.17, 0.003153/step Wall: 9014.17, 0.003153/step, 1.88129 hours remaining, 238.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2852000 3995.8065 20390.4236 14456.7392 254.6483 -203251.3395 2324.8204 0.0000 0.0000 52368.0120 -109460.8896 300.9597 -161828.9015 -109095.3617 299.5692 -38.0233 -9.9874 758147.9997 12.6629 12.8624 PRESSURE: 2852200 -71.0768 55.0626 62.9897 55.0625 -133.972 -165.162 62.9902 -165.163 -185.764 GPRESSURE: 2852200 -79.5706 -53.2227 29.7067 3.06095 -123.664 -123.614 159.224 -196.485 -137.409 PRESSAVG: 2852200 -26.168 18.7886 17.2054 18.7886 -25.9519 -40.5384 17.2054 -40.5384 0.155133 GPRESSAVG: 2852200 -28.3621 19.4996 16.5721 18.3312 -26.1279 -40.5747 16.4372 -41.8861 2.25036 TIMING: 2852200 CPU: 9014.8, 0.00317229/step Wall: 9014.8, 0.0031723/step, 1.89263 hours remaining, 238.730469 MB of memory in use. ENERGY: 2852200 3959.5408 20721.4652 14459.8483 250.6021 -203237.2965 2487.7702 0.0000 0.0000 51985.6781 -109372.3919 298.7624 -161358.0700 -109014.8418 299.4327 -130.2707 -113.5480 759438.2419 -17.3216 -17.4132 LDB: ============= START OF LOAD BALANCING ============== 9027.2 LDB: ============== END OF LOAD BALANCING =============== 9027.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9027.2 LDB: ============= START OF LOAD BALANCING ============== 9027.52 LDB: Largest compute 7025 load 0.033636 is 17.1% of average load 0.196144 LDB: Average compute 0.004363 is 2.2% of average load 0.196144 LDB: TIME 9027.52 LOAD: AVG 0.196144 MAX 0.215246 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.254 MB LDB: TIME 9027.52 LOAD: AVG 0.196144 MAX 0.215246 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: TIME 9027.52 LOAD: AVG 0.196144 MAX 0.215246 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: ============== END OF LOAD BALANCING =============== 9027.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9027.53 PRESSURE: 2852400 85.1039 167.986 -79.9263 167.986 143.82 -71.644 -79.9259 -71.6442 103.388 GPRESSURE: 2852400 160.645 22.1327 -130.589 187.156 119.825 -152.061 -52.6347 -22.452 132.822 PRESSAVG: 2852400 -1.04366 -15.6284 -77.5126 -15.6284 20.7235 38.3005 -77.5126 38.3005 -3.22043 GPRESSAVG: 2852400 0.298059 -16.3676 -77.5507 -15.6242 19.6899 37.4772 -75.1107 38.3196 -4.30105 TIMING: 2852400 CPU: 9015.45, 0.00322782/step Wall: 9015.45, 0.00322782/step, 1.92557 hours remaining, 239.382812 MB of memory in use. ENERGY: 2852400 3901.0183 20700.5433 14464.7636 258.7792 -202946.6679 2235.9533 0.0000 0.0000 51902.0686 -109483.5415 298.2819 -161385.6102 -109135.3290 298.9981 110.7708 137.7641 759223.2682 5.4865 5.2290 PRESSURE: 2852600 -39.1035 -50.2244 169.069 -50.2241 91.7519 -314.984 169.069 -314.983 -161.521 GPRESSURE: 2852600 24.503 2.5752 159.362 35.761 157.427 -326.706 160.561 -193.641 -211.342 PRESSAVG: 2852600 -4.02366 15.3029 -25.2412 15.3029 40.6137 -34.6651 -25.2413 -34.6651 -3.97726 GPRESSAVG: 2852600 -4.16058 13.5896 -25.1384 17.3833 40.134 -33.9072 -27.8413 -35.8126 -3.76503 TIMING: 2852600 CPU: 9016.08, 0.00317772/step Wall: 9016.08, 0.00317772/step, 1.89551 hours remaining, 239.449219 MB of memory in use. ENERGY: 2852600 3998.5579 20417.2281 14480.0718 229.4396 -203348.0249 2681.4335 0.0000 0.0000 52094.6714 -109446.6226 299.3888 -161541.2940 -109079.5238 299.0703 -36.2909 -9.8042 760603.5106 10.8709 10.7361 PRESSURE: 2852800 72.6801 -309.814 112.237 -309.814 -125.542 -39.1212 112.237 -39.1208 -3.6027 GPRESSURE: 2852800 91.3762 -281.824 90.891 -296.7 -102.233 -55.7946 129.902 -61.1349 45.9366 PRESSAVG: 2852800 -6.06596 -14.6965 -8.34213 -14.6965 4.84758 5.1877 -8.34218 5.18776 24.4003 GPRESSAVG: 2852800 -6.42007 -15.6574 -7.54093 -15.6692 5.49648 4.84515 -7.28532 7.33172 23.5868 TIMING: 2852800 CPU: 9016.71, 0.00315997/step Wall: 9016.71, 0.00315997/step, 1.88475 hours remaining, 239.449219 MB of memory in use. ENERGY: 2852800 4010.1919 20631.2535 14405.1038 245.9702 -203037.6386 2502.5410 0.0000 0.0000 51890.5367 -109352.0415 298.2156 -161242.5781 -108994.7285 298.6985 -18.8214 11.6932 760357.7732 7.7273 7.5544 PRESSURE: 2853000 159.647 60.235 72.7899 60.2353 -123.194 97.7564 72.7907 97.7555 -22.7346 GPRESSURE: 2853000 95.2285 17.0608 6.32634 79.0576 -87.7051 205.04 47.9588 2.18404 87.2253 PRESSAVG: 2853000 -17.1157 -34.9471 7.55626 -34.947 -22.8479 -9.57753 7.55627 -9.57756 -7.12159 GPRESSAVG: 2853000 -18.7185 -31.2704 6.9552 -34.9355 -22.3973 -8.58757 7.05204 -10.8175 -6.22189 TIMING: 2853000 CPU: 9017.35, 0.0031543/step Wall: 9017.35, 0.0031543/step, 1.88119 hours remaining, 239.449219 MB of memory in use. ENERGY: 2853000 4026.1767 20621.4001 14476.8188 224.2656 -203067.2819 2267.1362 0.0000 0.0000 52049.5810 -109401.9035 299.1297 -161451.4845 -109037.5182 299.2860 4.5727 31.5829 760170.4660 -15.6951 -15.7792 PRESSURE: 2853200 143.219 -37.1303 253.711 -37.1299 -81.2518 40.0112 253.71 40.0106 58.9527 GPRESSURE: 2853200 269.211 -111.479 135.263 10.1447 -68.5746 58.4418 300.174 -18.882 5.25503 PRESSAVG: 2853200 1.55602 18.32 -12.0498 18.32 -21.4564 -3.29884 -12.0498 -3.29883 -4.16068 GPRESSAVG: 2853200 1.27935 16.4807 -14.1616 20.0721 -19.862 -3.85365 -12.0224 -2.59328 -4.78009 TIMING: 2853200 CPU: 9017.98, 0.00315724/step Wall: 9017.98, 0.00315724/step, 1.88277 hours remaining, 239.449219 MB of memory in use. ENERGY: 2853200 4079.1837 20667.6031 14522.8923 259.5027 -203432.8755 2646.3627 0.0000 0.0000 51896.8372 -109360.4939 298.2518 -161257.3310 -109008.4658 299.4926 40.3067 68.6304 759744.7213 -8.0203 -7.7876 PRESSURE: 2853400 44.0851 -277.312 38.9984 -277.312 -142.254 103.538 38.9976 103.538 226.575 GPRESSURE: 2853400 16.844 -295.201 10.9319 -194.777 -132.943 143.328 -23.0167 36.1608 307.053 PRESSAVG: 2853400 -30.0023 -8.86509 40.4077 -8.86506 41.1476 -1.79659 40.4077 -1.79659 26.8131 GPRESSAVG: 2853400 -28.695 -7.02133 41.5856 -11.3822 38.4636 -1.71474 40.0346 -4.31094 27.8696 TIMING: 2853400 CPU: 9018.61, 0.00317264/step Wall: 9018.61, 0.00317264/step, 1.89178 hours remaining, 239.449219 MB of memory in use. ENERGY: 2853400 4050.5834 20558.9381 14518.7452 260.4082 -203281.7647 2460.8043 0.0000 0.0000 51993.9235 -109438.3620 298.8098 -161432.2855 -109074.2071 299.3404 42.8019 63.6514 761077.1349 12.6528 12.5461 PRESSURE: 2853600 -44.0253 -141.584 33.9711 -141.584 31.6406 -41.7536 33.972 -41.7529 54.8383 GPRESSURE: 2853600 -14.9505 -169.904 11.5831 -279.585 103.592 -38.4829 -42.1497 27.6904 32.1048 PRESSAVG: 2853600 -7.86996 -39.0502 -12.7128 -39.0502 53.4018 41.2409 -12.7127 41.2409 -7.00361 GPRESSAVG: 2853600 -6.77534 -38.9802 -12.2357 -39.363 54.0827 42.2245 -12.6526 42.5517 -8.61549 TIMING: 2853600 CPU: 9019.24, 0.00315791/step Wall: 9019.24, 0.00315791/step, 1.88282 hours remaining, 239.449219 MB of memory in use. ENERGY: 2853600 4011.6713 20633.4186 14498.9472 241.5338 -203271.0402 2309.3187 0.0000 0.0000 51879.0414 -109697.1093 298.1496 -161576.1506 -109326.6739 298.8778 14.1512 40.2488 761786.2916 12.8427 12.8973 PRESSURE: 2853800 65.058 157.398 -267.985 157.398 63.6981 167.882 -267.985 167.884 144.536 GPRESSURE: 2853800 187.723 15.4767 -215.832 168.017 -19.2826 123.205 -172.231 -36.8232 189.557 PRESSAVG: 2853800 25.669 33.6266 -28.4622 33.6266 55.4911 -26.8853 -28.4622 -26.8853 11.7185 GPRESSAVG: 2853800 23.9573 31.6683 -26.8363 34.8593 55.786 -27.4798 -29.3285 -24.8592 12.9854 TIMING: 2853800 CPU: 9019.88, 0.0031667/step Wall: 9019.88, 0.0031667/step, 1.88788 hours remaining, 239.449219 MB of memory in use. ENERGY: 2853800 3907.4791 20688.7142 14505.1894 229.7079 -203601.6532 2360.8408 0.0000 0.0000 52108.7225 -109800.9992 299.4695 -161909.7217 -109436.3119 298.9062 91.0975 119.3327 759375.7120 30.9595 30.9096 PRESSURE: 2854000 54.4476 -62.0154 20.7012 -62.0162 26.3196 26.7563 20.7013 26.7558 255.793 GPRESSURE: 2854000 85.1533 -56.0105 64.9625 -0.210717 125.947 28.0169 -11.8583 15.2675 214.707 PRESSAVG: 2854000 -22.9434 28.8047 -73.391 28.8047 46.1454 10.3292 -73.391 10.3291 7.06282 GPRESSAVG: 2854000 -21.5137 29.0345 -74.8247 28.343 46.0396 8.48726 -72.5903 8.59569 6.78815 TIMING: 2854000 CPU: 9020.51, 0.00316821/step Wall: 9020.51, 0.00316822/step, 1.88861 hours remaining, 239.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2854000 3899.9571 20531.6146 14438.0093 265.6090 -203212.3272 2333.5856 0.0000 0.0000 52070.6432 -109672.9085 299.2507 -161743.5517 -109309.1412 299.2058 112.1866 141.9358 758156.4497 10.0883 10.4380 PRESSURE: 2854200 289.421 82.5654 -12.0601 82.5657 -220.992 -22.4763 -12.0592 -22.4761 -313.357 GPRESSURE: 2854200 187.255 83.3553 104.092 75.6853 -118.255 -4.54821 -66.4151 49.7769 -228.386 PRESSAVG: 2854200 -27.1955 -23.9738 -55.3985 -23.9738 -5.78735 -21.0675 -55.3985 -21.0674 -14.0919 GPRESSAVG: 2854200 -27.0933 -21.4365 -57.0211 -21.99 -6.02832 -18.6344 -53.0493 -20.5026 -13.423 TIMING: 2854200 CPU: 9021.14, 0.00316652/step Wall: 9021.14, 0.00316652/step, 1.88742 hours remaining, 239.449219 MB of memory in use. ENERGY: 2854200 3966.3733 20514.6152 14488.3045 254.4165 -203778.6060 2615.1275 0.0000 0.0000 52043.2304 -109896.5385 299.0932 -161939.7689 -109529.3295 298.5925 -81.6424 -53.1288 758906.4109 -15.6916 -15.5149 PRESSURE: 2854400 65.9003 126.805 -153.926 126.805 200.879 94.8037 -153.926 94.8047 -3.28352 GPRESSURE: 2854400 187.04 14.7068 -110.619 23.5416 182.202 83.3999 -159.686 41.6927 -2.39965 PRESSAVG: 2854400 1.45926 4.35532 -4.5127 4.35533 5.90433 -16.8141 -4.51265 -16.8141 2.19274 GPRESSAVG: 2854400 0.457941 1.80746 -2.3278 2.7725 5.38456 -18.4363 -5.52299 -16.1479 3.76516 TIMING: 2854400 CPU: 9021.78, 0.00316349/step Wall: 9021.78, 0.00316349/step, 1.88544 hours remaining, 239.449219 MB of memory in use. ENERGY: 2854400 3860.8811 20693.8679 14546.1386 235.4148 -203798.5725 2740.6915 0.0000 0.0000 51959.9565 -109761.6221 298.6146 -161721.5785 -109402.0073 298.9029 87.8320 122.2808 760135.9425 3.1854 3.2026 PRESSURE: 2854600 -21.3424 -198.186 -149.084 -198.186 -303.644 -55.9122 -149.084 -55.9134 -22.0472 GPRESSURE: 2854600 86.7263 -156.508 -130.833 -29.3598 -350.661 -61.8592 -81.8035 -43.3125 -4.12613 PRESSAVG: 2854600 -41.4482 -27.8606 26.6383 -27.8606 6.75214 13.8524 26.6383 13.8524 7.76408 GPRESSAVG: 2854600 -41.0697 -25.6862 26.5951 -28.5576 7.35704 13.226 26.1014 13.5723 6.90717 TIMING: 2854600 CPU: 9022.4, 0.00314402/step Wall: 9022.4, 0.00314402/step, 1.87366 hours remaining, 239.449219 MB of memory in use. ENERGY: 2854600 3985.9988 20698.7362 14447.0748 253.4242 -203511.1614 2306.5306 0.0000 0.0000 52063.2338 -109756.1630 299.2081 -161819.3968 -109395.4375 298.4910 -115.6780 -89.3537 761241.3586 -8.9773 -8.9352 PRESSURE: 2854800 -232.289 207.365 83.1448 207.365 -155.288 -95.0513 83.1449 -95.0517 -144.116 GPRESSURE: 2854800 -238.002 386.395 30.8561 39.5305 -65.8583 -203.308 150.053 9.41335 -138.849 PRESSAVG: 2854800 28.1582 -17.8492 -40.4532 -17.8492 -35.6941 -19.2856 -40.4532 -19.2855 -11.7401 GPRESSAVG: 2854800 27.8202 -21.4803 -42.1075 -18.5371 -35.0018 -18.5619 -38.145 -20.1842 -12.619 TIMING: 2854800 CPU: 9023.03, 0.00314808/step Wall: 9023.03, 0.00314808/step, 1.87591 hours remaining, 239.449219 MB of memory in use. ENERGY: 2854800 3953.5510 20570.4254 14486.5084 230.7150 -203471.9647 2372.9833 0.0000 0.0000 52078.4327 -109779.3488 299.2955 -161857.7815 -109411.3054 298.9141 -177.2310 -147.5697 760798.6779 -6.4253 -6.6002 PRESSURE: 2855000 80.4318 -63.1972 -312.55 -63.1971 -232.429 -1.94807 -312.55 -1.94871 -48.8842 GPRESSURE: 2855000 106.868 -111.831 -304.301 25.4366 -148.094 119.794 -315.519 -30.3289 -84.062 PRESSAVG: 2855000 41.234 -8.24774 -38.4027 -8.2477 29.2898 8.98989 -38.4027 8.9899 11.9595 GPRESSAVG: 2855000 41.7379 -6.58158 -37.5568 -7.60562 29.0769 9.41324 -39.6168 8.93331 11.5274 TIMING: 2855000 CPU: 9023.66, 0.00314932/step Wall: 9023.66, 0.00314932/step, 1.87647 hours remaining, 239.449219 MB of memory in use. ENERGY: 2855000 3964.6741 20451.8755 14602.2900 248.1333 -203608.7257 2687.4455 0.0000 0.0000 51930.3056 -109724.0016 298.4442 -161654.3073 -109365.4145 298.9809 -66.9606 -41.7626 760848.1254 27.4944 27.4474 PRESSURE: 2855200 -3.52575 38.4534 40.8352 38.4529 28.6111 70.6037 40.8351 70.6035 141.989 GPRESSURE: 2855200 109.023 121.47 176.557 -75.7791 39.0453 62.1242 36.9293 -43.8626 110.765 PRESSAVG: 2855200 -5.13984 7.88781 -39.9127 7.88776 3.22727 66.6847 -39.9128 66.6847 -15.5912 GPRESSAVG: 2855200 -5.02265 6.68668 -39.0096 7.60655 2.87412 67.1207 -39.2119 66.6634 -15.073 TIMING: 2855200 CPU: 9024.3, 0.00317279/step Wall: 9024.3, 0.00317279/step, 1.89028 hours remaining, 239.449219 MB of memory in use. ENERGY: 2855200 3866.4976 20476.3475 14521.0539 225.1928 -203763.1234 2790.6827 0.0000 0.0000 52077.0241 -109806.3249 299.2874 -161883.3490 -109444.9694 298.6154 55.6916 86.2778 760261.2423 -5.8346 -5.7405 PRESSURE: 2855400 -54.7804 -101.5 182.178 -101.501 -87.4695 1.14213 182.177 1.14284 -385.048 GPRESSURE: 2855400 -75.5169 -48.5356 127.907 -126.495 -44.0838 -51.8938 15.9141 57.8907 -333.009 PRESSAVG: 2855400 -6.27603 -16.0257 -11.8883 -16.0257 1.98257 63.2496 -11.8884 63.2497 -10.8014 GPRESSAVG: 2855400 -6.28385 -15.258 -12.0631 -15.3911 2.4352 62.3558 -13.1645 63.2827 -10.6018 TIMING: 2855400 CPU: 9024.93, 0.00316699/step Wall: 9024.93, 0.00316699/step, 1.88664 hours remaining, 239.449219 MB of memory in use. ENERGY: 2855400 3985.1966 20594.8175 14569.1772 240.6005 -203317.0955 2316.4089 0.0000 0.0000 52077.3704 -109533.5244 299.2894 -161610.8948 -109175.2484 299.0841 -175.7661 -150.8700 759054.4005 -5.0316 -4.8168 PRESSURE: 2855600 205.189 180.299 49.9497 180.299 17.2865 139.342 49.9499 139.341 -21.1695 GPRESSURE: 2855600 242.582 92.0607 39.4271 150.334 48.0664 73.1774 60.9631 142.309 2.18465 PRESSAVG: 2855600 10.0791 -62.2951 11.4112 -62.2951 -13.2128 5.32751 11.4112 5.32752 6.64906 GPRESSAVG: 2855600 9.71979 -61.6581 9.82298 -62.7879 -13.415 5.96004 10.8923 5.59695 7.80788 TIMING: 2855600 CPU: 9025.56, 0.00315524/step Wall: 9025.56, 0.00315524/step, 1.87947 hours remaining, 239.449219 MB of memory in use. ENERGY: 2855600 4049.7863 20440.9457 14517.3191 243.9208 -203784.5082 2941.9181 0.0000 0.0000 52075.0158 -109515.6024 299.2758 -161590.6183 -109161.6677 298.6774 67.1019 97.6110 759470.1017 1.1718 1.3709 PRESSURE: 2855800 18.7064 77.9841 42.0979 77.984 -68.2065 258.954 42.0985 258.954 103.055 GPRESSURE: 2855800 -34.6676 50.323 -4.83414 163.364 67.2208 211.611 70.218 350.865 89.4389 PRESSAVG: 2855800 13.8729 32.3059 -48.3255 32.3058 -67.6613 52.2897 -48.3254 52.2897 -15.0968 GPRESSAVG: 2855800 14.423 31.8877 -49.0858 31.033 -68.3053 51.2373 -48.4015 51.6385 -16.0835 TIMING: 2855800 CPU: 9026.19, 0.00313758/step Wall: 9026.19, 0.00313758/step, 1.86878 hours remaining, 239.449219 MB of memory in use. ENERGY: 2855800 3981.4521 20321.2020 14480.7602 249.7022 -203449.3536 2605.6051 0.0000 0.0000 52149.3052 -109661.3267 299.7028 -161810.6319 -109289.3529 298.7036 17.8515 40.6641 760753.7298 -22.9617 -23.3219 PRESSURE: 2856000 46.0412 -211.824 -54.4041 -211.824 -210.41 -71.8128 -54.4037 -71.8144 -232.847 GPRESSURE: 2856000 -62.1035 -267.878 -18.4289 -336.408 -137.703 -34.2515 -3.46007 -30.9678 -110.654 PRESSAVG: 2856000 10.1311 -50.4821 -7.34975 -50.4821 0.475506 -10.0659 -7.34977 -10.0659 17.2863 GPRESSAVG: 2856000 8.70516 -51.3599 -6.20956 -48.7059 2.13461 -9.79598 -7.28773 -10.1023 17.3888 TIMING: 2856000 CPU: 9026.82, 0.00315413/step Wall: 9026.82, 0.00315413/step, 1.87846 hours remaining, 239.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2856000 4032.3357 20619.6499 14487.6081 252.5447 -203229.7091 2384.3408 0.0000 0.0000 52134.2928 -109318.9370 299.6165 -161453.2298 -108962.0452 299.1813 -132.4050 -103.4868 760673.7110 9.2976 9.4095 PRESSURE: 2856200 -38.2255 17.4519 30.2456 17.4518 135.701 -45.1008 30.2453 -45.1013 46.1691 GPRESSURE: 2856200 -57.2095 63.4636 49.7174 -50.3859 123.847 5.47665 94.6364 -143.568 147.468 PRESSAVG: 2856200 -1.0761 -45.9241 13.0653 -45.9241 -11.064 22.823 13.0652 22.823 5.23642 GPRESSAVG: 2856200 -0.649749 -45.8386 13.697 -45.1963 -12.2181 24.6262 12.0832 21.9159 5.62258 TIMING: 2856200 CPU: 9027.46, 0.00317206/step Wall: 9027.46, 0.00317206/step, 1.88896 hours remaining, 239.449219 MB of memory in use. ENERGY: 2856200 3957.7082 20646.8615 14457.1792 256.9936 -203251.3728 2631.3289 0.0000 0.0000 52067.7767 -109233.5247 299.2342 -161301.3014 -108876.2381 299.6328 47.8814 71.3686 760100.6440 -2.3012 -2.4151 LDB: ============= START OF LOAD BALANCING ============== 9039.85 LDB: ============== END OF LOAD BALANCING =============== 9039.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9039.86 LDB: ============= START OF LOAD BALANCING ============== 9040.17 LDB: Largest compute 7025 load 0.032436 is 16.5% of average load 0.196061 LDB: Average compute 0.004366 is 2.2% of average load 0.196061 LDB: TIME 9040.18 LOAD: AVG 0.196061 MAX 0.21554 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 9040.18 LOAD: AVG 0.196061 MAX 0.21554 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: TIME 9040.18 LOAD: AVG 0.196061 MAX 0.21554 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: ============== END OF LOAD BALANCING =============== 9040.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9040.18 PRESSURE: 2856400 -289.481 -230.78 156.027 -230.781 -13.5871 215.124 156.027 215.122 64.3202 GPRESSURE: 2856400 -65.0172 -144.802 130.286 -226.523 -80.9421 228.182 182.501 28.7528 -18.3266 PRESSAVG: 2856400 5.19877 -45.4119 2.06217 -45.412 4.56624 6.11871 2.06221 6.11866 4.40144 GPRESSAVG: 2856400 6.42601 -44.5093 2.1297 -48.3272 3.5458 6.30193 1.25698 5.94289 3.87583 TIMING: 2856400 CPU: 9028.1, 0.00322114/step Wall: 9028.1, 0.00322114/step, 1.91801 hours remaining, 237.968750 MB of memory in use. ENERGY: 2856400 4043.5818 20613.0018 14531.2879 239.0415 -203241.5809 2355.4822 0.0000 0.0000 52118.5571 -109340.6287 299.5261 -161459.1858 -108978.6606 299.6355 -79.5826 -54.7620 759450.1047 4.7222 4.6159 PRESSURE: 2856600 -72.4877 54.9382 -98.215 54.9385 151.876 -24.9768 -98.215 -24.9755 265.337 GPRESSURE: 2856600 -35.1604 184.35 -27.16 25.7862 255.584 -42.408 -151.864 -16.543 218.524 PRESSAVG: 2856600 8.30804 -45.8599 73.562 -45.8599 -47.0463 7.16369 73.5619 7.16365 23.6043 GPRESSAVG: 2856600 7.67773 -45.2835 74.4543 -44.553 -45.3209 5.2529 73.5865 8.8433 22.6544 TIMING: 2856600 CPU: 9028.73, 0.00314002/step Wall: 9028.73, 0.00314002/step, 1.86953 hours remaining, 238.171875 MB of memory in use. ENERGY: 2856600 3977.5013 20657.3075 14437.1000 240.1020 -203617.0756 2692.1211 0.0000 0.0000 51969.4580 -109643.4858 298.6692 -161612.9438 -109285.0366 299.3297 114.9084 146.3161 759169.1025 -5.0447 -4.9963 PRESSURE: 2856800 83.9515 116.321 -50.491 116.322 24.0117 208.514 -50.4913 208.514 68.82 GPRESSURE: 2856800 135.676 17.4112 -59.2617 135.903 69.6923 145.542 -15.5578 135.282 47.1446 PRESSAVG: 2856800 -15.97 -25.9392 14.6564 -25.9392 -5.06575 4.09857 14.6564 4.09851 -7.72454 GPRESSAVG: 2856800 -17.0428 -25.5371 15.2774 -25.4811 -5.46595 6.11407 14.801 2.76547 -6.43612 TIMING: 2856800 CPU: 9029.35, 0.00312508/step Wall: 9029.35, 0.00312508/step, 1.86047 hours remaining, 238.171875 MB of memory in use. ENERGY: 2856800 3863.8937 20416.4742 14517.2707 254.4497 -203890.5355 2694.3142 0.0000 0.0000 52167.7606 -109976.3724 299.8088 -162144.1330 -109598.6984 298.7204 58.9277 84.1711 756681.6084 -9.5868 -9.6483 PRESSURE: 2857000 405.111 164.26 316.947 164.259 390.864 144.039 316.948 144.038 378.205 GPRESSURE: 2857000 482.493 90.151 338.519 101.902 389.421 170.376 269.081 65.5996 377.1 PRESSAVG: 2857000 12.67 19.8076 27.1382 19.8077 15.3559 42.0851 27.1383 42.0851 0.885796 GPRESSAVG: 2857000 13.8931 17.8649 24.8814 21.0193 14.6984 41.6582 28.3975 42.6522 0.0702273 TIMING: 2857000 CPU: 9029.98, 0.003147/step Wall: 9029.98, 0.003147/step, 1.87334 hours remaining, 238.171875 MB of memory in use. ENERGY: 2857000 3983.9784 20623.2288 14455.0717 256.0354 -204148.8153 2940.2793 0.0000 0.0000 52003.4480 -109886.7736 298.8645 -161890.2216 -109537.1086 298.9075 391.3934 416.3379 758557.3979 9.6372 9.5539 PRESSURE: 2857200 113.878 80.8174 255.663 80.818 181.576 -130.408 255.664 -130.407 30.2205 GPRESSURE: 2857200 248.276 5.82095 349.55 52.5455 124.513 -65.7584 155.371 -224.104 22.1059 PRESSAVG: 2857200 -33.1636 17.4677 68.7518 17.4677 16.1887 18.0533 68.7518 18.0534 19.0739 GPRESSAVG: 2857200 -34.2236 18.8295 69.0278 15.2659 17.0088 19.1393 68.2117 18.1212 19.8329 TIMING: 2857200 CPU: 9030.61, 0.00313048/step Wall: 9030.61, 0.00313048/step, 1.86333 hours remaining, 238.171875 MB of memory in use. ENERGY: 2857200 3973.2888 20695.1751 14444.5743 222.1892 -203773.3105 2537.4910 0.0000 0.0000 52048.2111 -109852.3810 299.1218 -161900.5921 -109481.5813 298.4684 108.5583 131.6316 759884.2306 0.6997 0.8727 PRESSURE: 2857400 322.283 -28.6814 -24.6436 -28.6824 241.239 96.402 -24.6431 96.4031 112.565 GPRESSURE: 2857400 331.509 -46.8251 -37.1453 -32.799 326.833 173.832 111.316 -31.754 111.859 PRESSAVG: 2857400 -34.227 -55.01 36.2331 -55.0101 45.912 -24.4509 36.2332 -24.4509 -0.0717217 GPRESSAVG: 2857400 -34.2419 -56.9084 36.8754 -53.5324 46.5621 -24.3298 35.6345 -24.4467 -0.249117 TIMING: 2857400 CPU: 9031.23, 0.00313161/step Wall: 9031.23, 0.00313161/step, 1.86383 hours remaining, 238.171875 MB of memory in use. ENERGY: 2857400 3990.7402 20624.8752 14429.3469 244.1200 -203872.3615 2901.5028 0.0000 0.0000 51973.7484 -109708.0279 298.6938 -161681.7763 -109349.8181 298.7281 225.3622 256.7340 758561.0344 3.8711 4.0237 PRESSURE: 2857600 57.6725 -61.2536 122.657 -61.2538 -98.6459 -80.667 122.657 -80.6671 -34.3141 GPRESSURE: 2857600 76.4451 110.146 62.5098 -148.656 -15.9947 -92.417 176.327 17.092 -44.4425 PRESSAVG: 2857600 -2.3633 -71.2875 -0.492915 -71.2875 -9.87686 54.034 -0.492933 54.034 -9.88848 GPRESSAVG: 2857600 -2.69441 -68.4297 -0.511711 -71.7661 -8.41749 53.0341 1.03587 55.9205 -10.9299 TIMING: 2857600 CPU: 9031.86, 0.00314309/step Wall: 9031.86, 0.00314309/step, 1.87049 hours remaining, 238.171875 MB of memory in use. ENERGY: 2857600 3961.4251 20542.9273 14470.6560 253.5729 -203068.9418 2225.4414 0.0000 0.0000 52076.5372 -109538.3819 299.2846 -161614.9191 -109173.2684 299.0449 -25.0958 5.3360 759987.1022 -7.3762 -7.3473 PRESSURE: 2857800 120.055 53.2344 117.179 53.2343 -24.6744 -47.734 117.179 -47.7343 38.3735 GPRESSURE: 2857800 93.8555 39.7252 115.676 -67.2576 87.8198 -58.9143 148.917 -52.2924 48.3674 PRESSAVG: 2857800 14.8033 -8.22487 -8.70691 -8.22491 20.365 8.89507 -8.7069 8.89508 -6.06369 GPRESSAVG: 2857800 15.0435 -9.02799 -10.7112 -8.1699 18.9754 10.7761 -7.75878 7.91071 -4.99228 TIMING: 2857800 CPU: 9032.49, 0.00312323/step Wall: 9032.49, 0.00312323/step, 1.8585 hours remaining, 238.171875 MB of memory in use. ENERGY: 2857800 3972.8399 20592.9070 14462.6428 243.6831 -203217.4823 2370.6467 0.0000 0.0000 51971.1110 -109603.6516 298.6787 -161574.7627 -109232.3977 299.3428 44.5845 76.6809 758306.2183 9.7015 9.6756 PRESSURE: 2858000 12.7925 -108.064 169.654 -108.065 -51.9673 154.977 169.654 154.977 -261.39 GPRESSURE: 2858000 11.4383 -207.244 144.005 -36.7871 -68.0296 202.412 113.154 125.433 -165.22 PRESSAVG: 2858000 0.980648 -24.1749 62.3559 -24.1749 -2.21634 89.6852 62.3559 89.6851 19.9128 GPRESSAVG: 2858000 0.940377 -24.21 63.2532 -27.5447 -3.79146 88.084 60.864 89.5852 21.45 TIMING: 2858000 CPU: 9033.11, 0.00312213/step Wall: 9033.11, 0.00312213/step, 1.85767 hours remaining, 238.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2858000 4007.8270 20454.3373 14453.2158 264.4089 -203420.5790 2628.1591 0.0000 0.0000 51788.5531 -109824.0777 297.6295 -161612.6308 -109465.1108 299.1134 -100.1882 -73.9370 759267.7441 6.2257 6.1996 PRESSURE: 2858200 86.273 -105.563 -179.92 -105.564 -146.372 -99.9372 -179.92 -99.9374 174.74 GPRESSURE: 2858200 140.249 -13.0103 -94.2939 -6.49456 -133.575 -132.833 -195.864 12.6865 173.114 PRESSAVG: 2858200 -38.3217 -4.00143 37.6256 -4.00153 52.5572 14.4104 37.6257 14.4105 5.75905 GPRESSAVG: 2858200 -37.0693 -3.85391 39.5229 -0.11466 52.0591 14.8557 38.06 15.5719 4.71983 TIMING: 2858200 CPU: 9033.74, 0.00313627/step Wall: 9033.74, 0.00313627/step, 1.86591 hours remaining, 238.171875 MB of memory in use. ENERGY: 2858200 3996.2460 20504.9467 14484.6223 253.4676 -203862.6899 2619.1256 0.0000 0.0000 52000.0621 -110004.2195 298.8451 -162004.2816 -109648.0710 298.7753 38.2137 59.9289 759460.2285 6.6649 6.5699 PRESSURE: 2858400 126.226 -15.1939 -107.069 -15.1938 124.75 301.358 -107.07 301.358 -169.028 GPRESSURE: 2858400 155.593 3.63116 -21.5187 6.13742 184.061 260.624 -154.977 334.516 -155.075 PRESSAVG: 2858400 87.0819 -31.7829 -24.4415 -31.7829 -29.3565 41.9386 -24.4415 41.9385 4.80619 GPRESSAVG: 2858400 86.011 -30.4267 -23.4703 -31.7501 -28.6549 42.9828 -25.8916 39.5149 4.77657 TIMING: 2858400 CPU: 9034.37, 0.00314184/step Wall: 9034.37, 0.00314184/step, 1.86904 hours remaining, 238.171875 MB of memory in use. ENERGY: 2858400 3947.6086 20527.2029 14527.2991 258.4259 -203787.7288 2821.9251 0.0000 0.0000 51811.1537 -109894.1135 297.7594 -161705.2672 -109530.1877 298.4020 27.3161 61.5265 758978.7080 20.8439 20.7109 PRESSURE: 2858600 -116.254 -194.041 129.451 -194.041 -65.7612 -147.184 129.451 -147.184 224.109 GPRESSURE: 2858600 -8.23304 -239.888 210.333 -19.4166 -35.2847 -146.777 127.424 -122.666 159.884 PRESSAVG: 2858600 -10.628 -54.4014 9.88188 -54.4014 -26.1579 -27.0852 9.88191 -27.0853 21.1604 GPRESSAVG: 2858600 -9.57029 -55.1905 10.1864 -56.7703 -25.9826 -28.8981 9.22147 -25.899 20.0021 TIMING: 2858600 CPU: 9035, 0.00315628/step Wall: 9035, 0.00315628/step, 1.87746 hours remaining, 238.171875 MB of memory in use. ENERGY: 2858600 3975.5201 20489.5486 14552.9544 233.4600 -203287.2394 2344.9550 0.0000 0.0000 51579.8735 -110110.9278 296.4302 -161690.8014 -109746.6841 297.7798 14.0316 38.7888 760222.5856 -5.2085 -5.1836 PRESSURE: 2858800 30.9848 26.1174 -60.8596 26.1157 -143.228 -223.676 -60.8593 -223.674 41.1567 GPRESSURE: 2858800 58.3264 -22.808 33.052 153.265 -54.7386 -180.705 -69.7294 -160.657 -6.5305 PRESSAVG: 2858800 18.4056 -3.64975 -25.2769 -3.64978 4.97398 -37.527 -25.277 -37.5269 32.7585 GPRESSAVG: 2858800 17.1773 -3.53669 -25.3017 -0.509879 5.84368 -37.0976 -22.6166 -37.0751 33.0707 TIMING: 2858800 CPU: 9035.63, 0.00313218/step Wall: 9035.63, 0.00313218/step, 1.86295 hours remaining, 238.171875 MB of memory in use. ENERGY: 2858800 3923.6616 20523.7162 14463.0167 252.3581 -203870.8724 2632.8170 0.0000 0.0000 52051.9562 -110023.3466 299.1433 -162075.3028 -109671.4877 298.0547 -23.6955 -0.9809 759590.4930 18.7127 18.6972 PRESSURE: 2859000 -347.775 23.14 128.036 23.1407 -121.594 -159.8 128.037 -159.799 -32.4658 GPRESSURE: 2859000 -189.617 29.2055 146.7 52.0321 -163.285 -125.402 -9.79496 -241.965 -43.3604 PRESSAVG: 2859000 26.9052 -33.2123 23.5716 -33.2123 -12.9761 -19.4322 23.5717 -19.4322 -10.5107 GPRESSAVG: 2859000 27.8094 -34.3602 22.9362 -34.9881 -14.5961 -19.3719 22.2135 -18.5438 -9.86037 TIMING: 2859000 CPU: 9036.25, 0.00314286/step Wall: 9036.25, 0.00314286/step, 1.86913 hours remaining, 238.171875 MB of memory in use. ENERGY: 2859000 3963.1563 20444.0763 14475.1533 253.4178 -203224.5083 2289.5455 0.0000 0.0000 51963.2709 -109835.8881 298.6336 -161799.1590 -109474.0044 298.2708 -167.2781 -132.0877 760531.7389 1.1395 1.1177 PRESSURE: 2859200 -111.659 -62.0385 -159.09 -62.0385 -93.8017 -193.189 -159.09 -193.189 -176.661 GPRESSURE: 2859200 -51.1261 -115.059 -161.664 89.6251 -32.9069 -171.667 -149.988 -159.587 -203.403 PRESSAVG: 2859200 -28.1655 -68.866 16.7486 -68.8659 54.4948 -9.72548 16.7486 -9.72557 -8.09652 GPRESSAVG: 2859200 -28.1712 -68.7099 17.4824 -67.9481 54.3965 -10.0788 15.97 -10.0695 -8.12333 TIMING: 2859200 CPU: 9036.88, 0.00314145/step Wall: 9036.88, 0.00314145/step, 1.86811 hours remaining, 238.171875 MB of memory in use. ENERGY: 2859200 4045.6827 20581.6942 14510.3615 236.9185 -203182.5129 2321.3647 0.0000 0.0000 51650.7018 -109835.7895 296.8373 -161486.4913 -109484.0631 298.0480 -127.3739 -95.8120 758947.2755 6.0776 6.0340 PRESSURE: 2859400 208.679 19.5236 317.9 19.5231 -404.591 -11.5047 317.901 -11.5035 48.5479 GPRESSURE: 2859400 156.639 -97.7415 372.162 -52.2074 -300.862 -7.35026 188.972 73.3518 82.7071 PRESSAVG: 2859400 5.63434 -68.2899 12.4653 -68.29 -25.7611 -37.5467 12.4654 -37.5468 -33.8323 GPRESSAVG: 2859400 5.17101 -67.7546 9.85324 -67.4125 -25.175 -38.5364 14.5707 -38.1108 -34.1665 TIMING: 2859400 CPU: 9037.51, 0.00313869/step Wall: 9037.51, 0.00313869/step, 1.8663 hours remaining, 238.171875 MB of memory in use. ENERGY: 2859400 3943.0963 20264.0519 14495.0747 240.1130 -203289.2610 2461.6276 0.0000 0.0000 52251.7704 -109633.5272 300.2916 -161885.2975 -109262.0489 298.6115 -49.1213 -20.5056 761895.7348 -17.9863 -18.0568 PRESSURE: 2859600 -77.1841 -89.8031 65.2646 -89.8027 195.302 13.0994 65.2639 13.0997 132.845 GPRESSURE: 2859600 35.5744 -111.657 116.177 -132.442 171.387 55.4293 4.82045 -127.457 131.843 PRESSAVG: 2859600 42.937 -14.9663 -11.9499 -14.9663 -39.8051 0.505296 -11.9499 0.505277 -17.446 GPRESSAVG: 2859600 41.3377 -17.0653 -9.72179 -16.8472 -39.1732 0.711297 -13.6582 0.360047 -16.7107 TIMING: 2859600 CPU: 9038.14, 0.00314261/step Wall: 9038.14, 0.00314261/step, 1.86845 hours remaining, 238.171875 MB of memory in use. ENERGY: 2859600 3986.2212 20506.0175 14530.3324 262.2261 -203431.6709 2506.9431 0.0000 0.0000 51985.5270 -109654.4036 298.7615 -161639.9306 -109301.6083 298.3786 83.6545 112.9350 760966.9327 -4.7714 -4.8488 PRESSURE: 2859800 120.386 87.1244 -144.727 87.1252 -5.88037 168.65 -144.728 168.65 472.734 GPRESSURE: 2859800 212.246 -9.96154 -75.3941 154.015 -69.2269 26.2989 -127.251 178.83 512.039 PRESSAVG: 2859800 -33.38 -64.9128 12.5895 -64.9128 52.6808 13.7708 12.5894 13.7708 -5.37644 GPRESSAVG: 2859800 -32.1385 -63.265 11.5326 -63.6359 51.985 14.1817 12.9916 13.5987 -6.18919 TIMING: 2859800 CPU: 9038.77, 0.00313625/step Wall: 9038.77, 0.00313625/step, 1.8645 hours remaining, 238.171875 MB of memory in use. ENERGY: 2859800 3993.6393 20546.3954 14518.5123 232.8968 -203208.3964 2427.4626 0.0000 0.0000 51943.0168 -109546.4732 298.5172 -161489.4900 -109196.0964 298.9241 195.7464 218.3527 761835.8482 4.6414 4.5524 PRESSURE: 2860000 11.542 -85.2392 -123.561 -85.2388 139.954 -38.98 -123.562 -38.9801 281.055 GPRESSURE: 2860000 28.3672 -32.6353 -135.998 -126.223 210.584 -42.5618 -143.938 -89.2945 268.982 PRESSAVG: 2860000 19.4687 -46.9205 -9.60294 -46.9204 6.28292 45.033 -9.60295 45.033 24.1523 GPRESSAVG: 2860000 18.8219 -46.0275 -10.3837 -47.9172 6.38348 46.8964 -9.28418 42.5678 24.819 TIMING: 2860000 CPU: 9039.4, 0.00314579/step Wall: 9039.4, 0.00314579/step, 1.87 hours remaining, 238.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2860000 3961.5603 20431.1915 14547.3035 265.1972 -203327.1974 2675.7836 0.0000 0.0000 51946.6052 -109499.5562 298.5379 -161446.1614 -109129.6439 298.5801 144.1835 169.3111 759880.5712 16.6347 16.6748 PRESSURE: 2860200 64.2131 15.2371 -62.3879 15.2368 189.711 -2.89026 -62.389 -2.88915 -153.551 GPRESSURE: 2860200 123.927 50.7941 -36.9481 88.239 244.424 -65.5353 -24.4076 8.75742 -178.262 PRESSAVG: 2860200 26.4128 -30.9535 -13.4611 -30.9534 3.53832 3.51704 -13.4611 3.51705 -1.88828 GPRESSAVG: 2860200 26.467 -32.8136 -12.8949 -31.2203 4.23589 1.64803 -15.805 5.4914 -2.49894 TIMING: 2860200 CPU: 9040.02, 0.00314747/step Wall: 9040.02, 0.00314747/step, 1.87082 hours remaining, 238.171875 MB of memory in use. ENERGY: 2860200 3980.7194 20394.6597 14449.8593 244.9376 -203417.6420 2931.9814 0.0000 0.0000 51984.5352 -109430.9495 298.7558 -161415.4846 -109060.5195 299.0825 33.4577 63.3628 762061.9559 9.3543 9.4013 LDB: ============= START OF LOAD BALANCING ============== 9052.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9052.42 LDB: =============== DONE WITH MIGRATION ================ 9052.43 LDB: ============= START OF LOAD BALANCING ============== 9052.75 LDB: Largest compute 7025 load 0.037088 is 18.9% of average load 0.195973 LDB: Average compute 0.004397 is 2.2% of average load 0.195973 LDB: TIME 9052.75 LOAD: AVG 0.195973 MAX 0.214353 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 9052.75 LOAD: AVG 0.195973 MAX 0.214353 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 9052.75 LOAD: AVG 0.195973 MAX 0.214353 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: ============== END OF LOAD BALANCING =============== 9052.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9052.76 PRESSURE: 2860400 -295.67 -4.42729 484.543 -4.42765 -165.47 104.492 484.544 104.492 -18.0303 GPRESSURE: 2860400 -189.725 0.00252321 574.834 -76.5978 -226.053 129.62 395.812 80.7096 5.76833 PRESSAVG: 2860400 -32.5779 -131.312 -23.9485 -131.313 32.606 10.3349 -23.9485 10.3349 1.02734 GPRESSAVG: 2860400 -32.0495 -132.145 -23.6963 -130.923 30.6127 9.92024 -20.5506 11.8172 2.19865 TIMING: 2860400 CPU: 9040.67, 0.00324718/step Wall: 9040.67, 0.00324718/step, 1.92991 hours remaining, 238.355469 MB of memory in use. ENERGY: 2860400 3982.4018 20505.0901 14531.6663 264.8998 -203495.9241 2547.9029 0.0000 0.0000 52193.2141 -109470.7489 299.9551 -161663.9631 -109114.5446 298.7831 -159.7235 -136.6698 762176.9682 0.3518 0.2539 PRESSURE: 2860600 -114.017 -14.7854 52.4632 -14.785 -430.179 -10.5604 52.4628 -10.5594 -570.482 GPRESSURE: 2860600 -95.1556 -16.7302 110.084 67.8546 -353.65 -2.50929 33.3556 -3.24659 -586.44 PRESSAVG: 2860600 -40.6785 -22.0692 1.1026 -22.0692 71.8989 1.86877 1.10261 1.86884 12.2206 GPRESSAVG: 2860600 -41.4159 -22.1698 2.46641 -22.7811 73.4177 1.5222 -0.993251 -0.511405 11.561 TIMING: 2860600 CPU: 9041.3, 0.0031381/step Wall: 9041.3, 0.0031381/step, 1.8649 hours remaining, 238.558594 MB of memory in use. ENERGY: 2860600 4059.0730 20599.2205 14543.4946 246.8979 -202856.8515 2013.5698 0.0000 0.0000 51987.2902 -109407.3055 298.7717 -161394.5958 -109047.3712 298.7952 -371.5594 -345.0820 761080.6984 14.4803 14.5209 PRESSURE: 2860800 -375.357 -93.2022 81.0014 -93.2011 -544.747 -94.4352 81.0014 -94.4344 -179.492 GPRESSURE: 2860800 -312.049 -63.201 -11.1994 -48.3575 -502.282 -117.828 -56.2778 -84.1934 -199.868 PRESSAVG: 2860800 -36.6605 -52.5912 -9.53624 -52.5912 -5.5039 3.46793 -9.53629 3.46797 7.95207 GPRESSAVG: 2860800 -36.2795 -52.289 -9.52221 -51.4607 -4.88914 4.68275 -10.1222 3.22298 7.88262 TIMING: 2860800 CPU: 9041.93, 0.00314129/step Wall: 9041.93, 0.00314129/step, 1.86663 hours remaining, 238.558594 MB of memory in use. ENERGY: 2860800 4067.6617 20534.7416 14509.5078 248.5734 -202875.2787 2196.6089 0.0000 0.0000 51764.8370 -109553.3483 297.4932 -161318.1853 -109203.8384 299.3076 -366.5319 -338.0663 761614.3230 -11.4041 -11.0953 PRESSURE: 2861000 45.5033 139.048 126.242 139.048 137.167 121.303 126.243 121.303 -237.585 GPRESSURE: 2861000 112.701 106.798 55.7255 30.2064 173.934 114.134 70.1239 -4.45446 -244.154 PRESSAVG: 2861000 34.2033 -52.1968 -0.112136 -52.1968 -4.05246 -21.3381 -0.112126 -21.338 9.49083 GPRESSAVG: 2861000 35.2377 -52.7115 -0.558382 -52.7004 -5.12833 -22.0353 0.381352 -20.0912 9.88423 TIMING: 2861000 CPU: 9042.56, 0.00314294/step Wall: 9042.56, 0.00314295/step, 1.86743 hours remaining, 238.558594 MB of memory in use. ENERGY: 2861000 4062.4168 20549.0938 14477.1097 263.3420 -203580.3963 2959.5852 0.0000 0.0000 51900.1436 -109368.7053 298.2708 -161268.8489 -109015.9751 299.2936 -18.3051 14.1603 761171.0876 13.2139 13.3312 PRESSURE: 2861200 30.0162 49.667 -57.8338 49.668 169.552 -73.09 -57.8341 -73.0909 -514.81 GPRESSURE: 2861200 84.6037 27.8651 -68.2258 158.151 191.294 -53.7522 -79.3033 -119.733 -510.913 PRESSAVG: 2861200 -18.6473 2.25199 26.2847 2.25201 4.51866 48.1363 26.2846 48.1364 -13.4749 GPRESSAVG: 2861200 -18.7959 4.34108 23.3272 1.53825 5.11779 47.9887 26.7995 49.2812 -13.993 TIMING: 2861200 CPU: 9043.19, 0.00313813/step Wall: 9043.19, 0.00313813/step, 1.86439 hours remaining, 238.558594 MB of memory in use. ENERGY: 2861200 4053.4471 20435.6422 14516.1231 243.9577 -203134.0350 2450.8290 0.0000 0.0000 52145.0341 -109289.0018 299.6782 -161434.0359 -108914.6233 299.3065 -105.0809 -78.3386 761465.0428 -9.2012 -9.2237 PRESSURE: 2861400 4.59575 172.942 -59.515 172.941 142.971 16.9724 -59.5157 16.9727 -257.453 GPRESSURE: 2861400 50.5061 324.783 4.69573 116.067 141.912 0.969202 -48.045 107.898 -216.255 PRESSAVG: 2861400 18.6544 7.69265 -51.4349 7.6926 -1.617 1.19046 -51.4349 1.19037 13.0754 GPRESSAVG: 2861400 19.0217 8.46893 -49.9379 7.46814 -1.55901 3.0851 -50.5431 -0.0980613 12.5544 TIMING: 2861400 CPU: 9043.81, 0.00314239/step Wall: 9043.81, 0.00314239/step, 1.86676 hours remaining, 238.558594 MB of memory in use. ENERGY: 2861400 3989.5390 20565.0214 14437.2578 229.2228 -202808.7833 2307.3645 0.0000 0.0000 52046.2798 -109234.0981 299.1107 -161280.3779 -108875.9269 299.3661 -36.6288 -7.9457 762633.0532 10.0376 10.0057 PRESSURE: 2861600 -19.5621 -105.779 -196.233 -105.779 -232.662 43.0095 -196.233 43.0078 141.383 GPRESSURE: 2861600 49.1748 -81.9347 -248.107 -76.8713 -150.192 11.4869 -262.822 63.8191 80.7046 PRESSAVG: 2861600 11.8184 -35.2844 8.55374 -35.2845 -30.4967 27.8966 8.55378 27.8967 12.109 GPRESSAVG: 2861600 12.0967 -37.427 9.10223 -34.9177 -30.5916 26.4637 8.65145 27.6515 12.0167 TIMING: 2861600 CPU: 9044.44, 0.00314976/step Wall: 9044.44, 0.00314976/step, 1.87096 hours remaining, 238.558594 MB of memory in use. ENERGY: 2861600 4073.8926 20504.6277 14522.1915 256.7795 -203058.9408 2658.9437 0.0000 0.0000 52150.6039 -108891.9018 299.7102 -161042.5057 -108525.9161 299.8789 -36.9473 -6.7708 763013.9526 -2.1898 -2.1594 PRESSURE: 2861800 103.207 -209.991 -283.255 -209.991 506.567 -395.712 -283.255 -395.711 64.9589 GPRESSURE: 2861800 175.048 -209.369 -302.293 -279.489 540.376 -314.162 -131.2 -378.909 47.8087 PRESSAVG: 2861800 -5.08818 -41.4923 -34.7994 -41.4923 9.43853 48.0663 -34.7994 48.0663 -6.51027 GPRESSAVG: 2861800 -5.00555 -41.3645 -34.3125 -43.7065 8.79649 49.2624 -36.6096 48.3755 -5.83418 TIMING: 2861800 CPU: 9045.07, 0.00314652/step Wall: 9045.07, 0.00314652/step, 1.86886 hours remaining, 238.558594 MB of memory in use. ENERGY: 2861800 3925.7339 20691.6922 14492.0421 264.0124 -203067.1867 2502.3549 0.0000 0.0000 52322.6728 -108868.6784 300.6991 -161191.3512 -108508.4121 300.3312 224.9110 254.4108 760154.6260 -0.7200 -0.6811 PRESSURE: 2862000 -165.303 10.5387 -156.123 10.5381 97.9047 57.9213 -156.124 57.9218 -277.192 GPRESSURE: 2862000 -135.216 66.5616 -97.0904 -11.546 38.1923 2.13146 -3.11646 95.1246 -165.169 PRESSAVG: 2862000 -10.8891 -58.0892 -48.2283 -58.0892 -9.22035 3.14296 -48.2284 3.14298 -5.34645 GPRESSAVG: 2862000 -12.4307 -58.4729 -49.4469 -56.8224 -8.85834 3.52893 -48.3589 4.94951 -4.23593 TIMING: 2862000 CPU: 9045.7, 0.00314583/step Wall: 9045.7, 0.00314583/step, 1.86828 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2862000 3993.2815 20717.4676 14472.3798 247.6803 -202811.5681 2188.4880 0.0000 0.0000 52414.8059 -108777.4649 301.2286 -161192.2708 -108400.5267 300.3571 -114.8636 -87.3975 762570.3609 -8.4853 -8.5083 PRESSURE: 2862200 105.032 81.8324 19.175 81.8321 -356.172 -56.1511 19.1751 -56.1524 -64.0703 GPRESSURE: 2862200 126.056 24.353 15.3132 21.222 -349.817 -46.8945 27.5445 -86.4948 12.2954 PRESSAVG: 2862200 31.3963 1.11452 -3.42874 1.11456 -52.658 -5.69801 -3.42873 -5.69809 -18.1139 GPRESSAVG: 2862200 31.1206 1.95687 -2.9755 2.74693 -51.7549 -7.59454 -1.83373 -4.50119 -18.6255 TIMING: 2862200 CPU: 9046.33, 0.00312835/step Wall: 9046.33, 0.00312835/step, 1.85772 hours remaining, 238.558594 MB of memory in use. ENERGY: 2862200 3989.8801 20800.0261 14511.1498 246.6429 -203225.1472 2554.2262 0.0000 0.0000 52319.7713 -108803.4508 300.6824 -161123.2220 -108437.8213 301.0544 -105.0699 -70.4887 762167.6680 -13.1252 -13.0866 PRESSURE: 2862400 228.706 140.98 117.711 140.981 -16.7215 -224.57 117.709 -224.571 -163.988 GPRESSURE: 2862400 242.82 32.6867 71.4052 179.534 -30.7698 -224.578 93.7057 -88.4461 -92.2867 PRESSAVG: 2862400 0.701632 12.9549 35.4562 12.9549 -38.9443 28.2129 35.4562 28.2128 8.90816 GPRESSAVG: 2862400 2.07728 11.6392 35.5537 12.4381 -40.6636 29.7985 33.6225 26.2182 8.99142 TIMING: 2862400 CPU: 9046.95, 0.00312215/step Wall: 9046.95, 0.00312215/step, 1.85386 hours remaining, 238.558594 MB of memory in use. ENERGY: 2862400 3995.7829 20670.3452 14592.5075 255.5750 -203235.2356 2591.5123 0.0000 0.0000 52147.3090 -108982.2036 299.6913 -161129.5127 -108616.5196 300.5918 15.9988 39.9212 761335.3833 -9.7782 -9.8650 PRESSURE: 2862600 113.334 127.212 -175.612 127.211 8.51583 374.535 -175.612 374.534 -23.0591 GPRESSURE: 2862600 206.852 210.994 -126.652 229.924 -68.8921 364.907 -224.399 305.758 30.3318 PRESSAVG: 2862600 32.136 -5.7153 -32.0571 -5.71531 -0.437339 51.518 -32.057 51.518 15.1898 GPRESSAVG: 2862600 31.1086 -3.60852 -32.7543 -5.11709 1.32749 50.3858 -29.6962 52.0935 14.6847 TIMING: 2862600 CPU: 9047.58, 0.0031438/step Wall: 9047.58, 0.0031438/step, 1.86655 hours remaining, 238.558594 MB of memory in use. ENERGY: 2862600 3982.2012 20704.3944 14551.8904 261.0669 -203479.9836 2592.0768 0.0000 0.0000 52455.5433 -108932.8106 301.4627 -161388.3539 -108560.5427 300.2122 32.9301 56.0973 760598.4725 15.6295 15.7069 PRESSURE: 2862800 257.82 56.0115 87.9163 56.0108 224.436 -17.073 87.916 -17.0728 747.029 GPRESSURE: 2862800 313.254 87.6335 77.7909 77.3849 307.305 113.014 56.6402 20.1377 706.385 PRESSAVG: 2862800 63.8736 -26.7058 -9.90013 -26.7058 -39.6338 55.6487 -9.90018 55.6487 2.79344 GPRESSAVG: 2862800 63.327 -28.4513 -7.72127 -27.4382 -39.8241 55.8172 -11.6653 54.5162 3.91432 TIMING: 2862800 CPU: 9048.21, 0.00314018/step Wall: 9048.21, 0.00314018/step, 1.86422 hours remaining, 238.558594 MB of memory in use. ENERGY: 2862800 3939.5735 20610.3692 14567.8264 241.1682 -203655.8070 2939.9840 0.0000 0.0000 52304.6280 -109052.2577 300.5954 -161356.8857 -108675.2075 300.3767 409.7618 442.3148 760889.9852 9.0111 9.1390 PRESSURE: 2863000 -183.943 -232.292 -176.874 -232.292 -358.531 149.854 -176.873 149.853 -151.615 GPRESSURE: 2863000 -160.954 -308.116 -107.073 -244.955 -228.637 163.089 -166.391 272.392 -219.191 PRESSAVG: 2863000 12.8559 -25.1466 -19.992 -25.1466 11.3524 2.64519 -19.9919 2.64515 9.86297 GPRESSAVG: 2863000 14.2275 -25.6872 -20.0917 -25.9918 11.4603 3.01129 -19.5601 4.36386 8.6205 TIMING: 2863000 CPU: 9048.84, 0.00314084/step Wall: 9048.84, 0.00314084/step, 1.86444 hours remaining, 238.558594 MB of memory in use. ENERGY: 2863000 3949.1182 20655.6734 14557.4153 281.0410 -203214.2526 2544.0604 0.0000 0.0000 52250.5714 -108976.3730 300.2848 -161226.9444 -108615.0217 300.7310 -231.3629 -202.9273 761736.3791 11.3571 11.4361 PRESSURE: 2863200 -3.03116 -44.0933 24.906 -44.0937 -141.1 153.144 24.9051 153.144 8.46372 GPRESSURE: 2863200 -77.2857 -133.328 109.733 36.3868 -94.2438 209.758 -125.423 188.044 126.368 PRESSAVG: 2863200 -36.5422 -99.9124 -15.28 -99.9125 10.0961 -0.482362 -15.2801 -0.482419 -3.09782 GPRESSAVG: 2863200 -36.8058 -100.181 -15.3877 -97.1571 9.08378 0.868917 -15.6285 -0.497419 -2.2132 TIMING: 2863200 CPU: 9049.47, 0.00315837/step Wall: 9049.47, 0.00315837/step, 1.87467 hours remaining, 238.558594 MB of memory in use. ENERGY: 2863200 4004.0726 20742.0232 14521.8022 256.9502 -203818.8496 2833.9631 0.0000 0.0000 52284.6204 -109175.4179 300.4804 -161460.0383 -108820.4535 300.4686 -45.2226 -15.0538 760546.2240 -9.8480 -9.9784 PRESSURE: 2863400 -32.8092 31.857 102.232 31.8565 84.1889 69.671 102.232 69.6704 -406.483 GPRESSURE: 2863400 119.828 105.242 109.783 -17.4126 -16.6636 81.728 80.5344 117.579 -363.348 PRESSAVG: 2863400 -14.2 -61.3975 -20.458 -61.3974 1.51532 7.98169 -20.458 7.98168 3.45039 GPRESSAVG: 2863400 -13.6528 -60.8635 -20.8297 -64.7009 1.27739 6.23734 -21.2253 8.62388 2.19154 TIMING: 2863400 CPU: 9050.1, 0.00317066/step Wall: 9050.1, 0.00317066/step, 1.88179 hours remaining, 238.558594 MB of memory in use. ENERGY: 2863400 3989.5246 20827.2483 14545.3579 247.1154 -203500.0352 2288.4533 0.0000 0.0000 52306.7584 -109295.5774 300.6077 -161602.3357 -108926.7453 300.2012 -118.3678 -86.7278 760677.5062 -3.0781 -3.3946 PRESSURE: 2863600 -96.4473 -8.77957 42.4818 -8.77931 13.9567 105.475 42.4814 105.475 62.5821 GPRESSURE: 2863600 -138.303 36.9029 -60.7914 -53.6548 98.7405 72.2062 67.8199 74.5207 108.703 PRESSAVG: 2863600 -2.90837 -22.7798 -3.33707 -22.7798 -22.9459 25.202 -3.33711 25.202 -8.82891 GPRESSAVG: 2863600 -3.93143 -22.0333 -3.88292 -21.5295 -22.1013 26.1834 -1.03934 23.5218 -8.21427 TIMING: 2863600 CPU: 9050.73, 0.00313735/step Wall: 9050.73, 0.00313735/step, 1.86184 hours remaining, 238.558594 MB of memory in use. ENERGY: 2863600 4093.4845 20668.5273 14512.6254 272.9791 -203213.6484 2404.6013 0.0000 0.0000 52149.8243 -109111.6065 299.7058 -161261.4308 -108745.8954 299.8058 -6.6362 23.0470 761588.9625 -11.5611 -11.4157 PRESSURE: 2863800 -79.5099 3.25571 -242.889 3.25531 -352.44 87.451 -242.889 87.4503 56.1125 GPRESSURE: 2863800 -77.6498 4.42859 -197.844 10.0405 -224.512 30.2481 -245.608 168.401 17.1016 PRESSAVG: 2863800 -4.61137 -25.7878 -39.975 -25.7878 41.6386 49.9402 -39.975 49.9402 -11.8595 GPRESSAVG: 2863800 -3.77106 -26.771 -40.6763 -26.6821 39.8446 50.7287 -41.9562 49.904 -10.8555 TIMING: 2863800 CPU: 9051.36, 0.00314648/step Wall: 9051.36, 0.00314648/step, 1.86709 hours remaining, 238.558594 MB of memory in use. ENERGY: 2863800 4013.4991 20446.2064 14579.7590 256.2110 -203202.4896 2499.4832 0.0000 0.0000 52313.5740 -109093.7568 300.6468 -161407.3308 -108729.0583 300.2463 -125.2793 -95.0201 762462.0171 8.3893 8.4060 PRESSURE: 2864000 -243.933 -110.627 79.5389 -110.627 -406.114 -62.2039 79.5392 -62.2036 364.585 GPRESSURE: 2864000 -199.222 -55.0234 128.455 -31.9212 -321.649 -58.8627 60.1409 49.6567 316.221 PRESSAVG: 2864000 -38.3779 -70.0852 -48.5573 -70.0853 -26.6084 16.1427 -48.5572 16.1427 14.5512 GPRESSAVG: 2864000 -38.1955 -70.6923 -46.7029 -69.8361 -25.5921 15.6468 -47.7709 16.9668 13.4371 TIMING: 2864000 CPU: 9051.99, 0.00314579/step Wall: 9051.99, 0.00314579/step, 1.8665 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2864000 4031.2755 20592.7291 14536.8732 247.1064 -203017.6854 2354.6425 0.0000 0.0000 51910.4356 -109344.6231 298.3300 -161255.0587 -108965.5855 299.7312 -95.1538 -68.2164 761817.3713 -16.8117 -16.7835 PRESSURE: 2864200 -166.466 -28.7229 -473.74 -28.723 -13.5124 326.02 -473.739 326.02 -402.598 GPRESSURE: 2864200 -116.844 -30.6117 -378.868 -174.286 -76.5752 290.641 -460.36 307.512 -320.077 PRESSAVG: 2864200 -6.92413 -29.7311 3.47174 -29.7311 51.4394 50.0952 3.47169 50.0952 -16.0777 GPRESSAVG: 2864200 -5.98795 -29.9771 3.76402 -30.9748 49.8407 50.9497 4.52639 48.4336 -15.2291 TIMING: 2864200 CPU: 9052.62, 0.00315452/step Wall: 9052.62, 0.00315452/step, 1.87151 hours remaining, 238.558594 MB of memory in use. ENERGY: 2864200 4026.0136 20492.8219 14534.8938 238.9173 -203246.8379 2474.1239 0.0000 0.0000 52077.7260 -109402.3414 299.2914 -161480.0674 -109030.9605 299.4591 -194.1922 -171.1655 759562.1041 9.4792 9.5412 LDB: ============= START OF LOAD BALANCING ============== 9065.02 LDB: ============== END OF LOAD BALANCING =============== 9065.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9065.02 LDB: ============= START OF LOAD BALANCING ============== 9065.34 LDB: Largest compute 7024 load 0.033974 is 17.3% of average load 0.196033 LDB: Average compute 0.004400 is 2.2% of average load 0.196033 LDB: TIME 9065.34 LOAD: AVG 0.196033 MAX 0.214567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 9065.34 LOAD: AVG 0.196033 MAX 0.214567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 9065.34 LOAD: AVG 0.196033 MAX 0.214567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 9065.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9065.35 PRESSURE: 2864400 -81.0382 -202.503 58.2111 -202.503 -36.0617 247.78 58.2114 247.781 -364.158 GPRESSURE: 2864400 -83.4322 -61.3754 45.9425 -259.603 42.2545 287.734 105.769 168.437 -340.32 PRESSAVG: 2864400 -27.4392 -63.2063 -23.2116 -63.2063 27.7441 44.3264 -23.2117 44.3264 -7.88257 GPRESSAVG: 2864400 -27.9916 -61.791 -24.897 -63.0311 28.5057 43.3477 -22.5145 44.6528 -8.07188 TIMING: 2864400 CPU: 9053.26, 0.00322054/step Wall: 9053.26, 0.00322054/step, 1.9105 hours remaining, 239.636719 MB of memory in use. ENERGY: 2864400 3972.6254 20508.0120 14551.2072 229.3326 -203615.4251 2497.1795 0.0000 0.0000 52382.6199 -109474.4484 301.0436 -161857.0683 -109111.3435 299.3411 -160.4192 -127.1659 759103.7065 -2.5259 -2.5193 PRESSURE: 2864600 -133.142 -97.1522 133.979 -97.1527 -251.394 19.2848 133.978 19.2843 -307.445 GPRESSURE: 2864600 -198.588 -122.262 133.004 -203.472 -196.455 63.2374 36.6474 -37.976 -201.783 PRESSAVG: 2864600 -36.9678 -74.3512 -2.49927 -74.3513 -0.411718 14.7675 -2.4992 14.7674 -14.3499 GPRESSAVG: 2864600 -37.6469 -76.3497 -1.88677 -72.3703 -0.5221 15.4594 -3.08578 15.8612 -13.385 TIMING: 2864600 CPU: 9053.89, 0.00314574/step Wall: 9053.89, 0.00314574/step, 1.86595 hours remaining, 239.636719 MB of memory in use. ENERGY: 2864600 4045.5574 20527.8285 14577.0733 238.1147 -203266.7429 2215.1187 0.0000 0.0000 52068.9845 -109594.0659 299.2412 -161663.0504 -109229.2898 299.4831 -230.6603 -198.9422 758777.7119 -17.2431 -17.1847 PRESSURE: 2864800 -53.8518 -252.513 65.7269 -252.513 -248.213 -77.0019 65.7273 -77.0024 -111.69 GPRESSURE: 2864800 8.32696 -197.444 -34.4379 -220.048 -182.41 -93.6238 33.4843 -51.5615 -170.657 PRESSAVG: 2864800 -11.485 -32.541 24.0871 -32.5411 -8.35229 0.788918 24.0871 0.788972 8.53742 GPRESSAVG: 2864800 -10.6212 -31.5517 26.0489 -31.3152 -7.56782 -0.701831 22.8973 -0.518111 6.61425 TIMING: 2864800 CPU: 9054.52, 0.00312032/step Wall: 9054.52, 0.00312032/step, 1.85069 hours remaining, 239.636719 MB of memory in use. ENERGY: 2864800 4050.7238 20594.9901 14557.7241 234.9393 -203662.7364 2521.1531 0.0000 0.0000 52185.0658 -109518.1402 299.9083 -161703.2060 -109157.1716 299.3035 -137.9182 -114.9134 759046.8293 -3.7666 -3.8583 PRESSURE: 2865000 -342.81 24.7625 57.9433 24.7628 104.627 198.791 57.9428 198.792 156.592 GPRESSURE: 2865000 -317.166 -77.8194 149.623 13.4124 164.295 147.588 70.5745 242.966 149.883 PRESSAVG: 2865000 -63.1023 -63.3258 34.5459 -63.3259 28.5327 47.9178 34.546 47.9178 -15.3603 GPRESSAVG: 2865000 -63.9218 -63.5316 34.1904 -65.6285 29.835 47.6904 31.0708 49.9366 -16.1839 TIMING: 2865000 CPU: 9055.14, 0.00312177/step Wall: 9055.14, 0.00312177/step, 1.85138 hours remaining, 239.636719 MB of memory in use. ENERGY: 2865000 3953.4279 20469.9277 14486.7916 242.6477 -203126.1650 2282.7582 0.0000 0.0000 51982.2969 -109708.3148 298.7430 -161690.6117 -109354.6236 299.5236 -27.1967 -0.9958 758772.4570 -16.6433 -16.7569 PRESSURE: 2865200 -71.424 11.1543 5.8368 11.1532 313.28 12.6344 5.83651 12.6341 -47.353 GPRESSURE: 2865200 2.50247 101.949 0.114698 38.6054 212.606 85.7366 -18.8077 66.8633 83.9789 PRESSAVG: 2865200 -34.7638 7.77189 28.215 7.77184 3.22453 13.3623 28.215 13.3624 2.59193 GPRESSAVG: 2865200 -34.4019 6.36686 25.4242 10.6288 1.83582 13.6526 30.1555 11.8627 4.2511 TIMING: 2865200 CPU: 9055.77, 0.00313322/step Wall: 9055.77, 0.00313322/step, 1.858 hours remaining, 239.636719 MB of memory in use. ENERGY: 2865200 3920.2953 20597.3393 14463.2644 244.1403 -203473.3549 2542.6909 0.0000 0.0000 51904.5653 -109801.0594 298.2963 -161705.6247 -109440.9559 299.3635 64.8344 99.6956 759589.5089 -9.6491 -9.4383 PRESSURE: 2865400 -248.974 -121.241 -216.684 -121.24 85.6041 -42.4874 -216.685 -42.4879 -288.802 GPRESSURE: 2865400 -190.998 -29.0017 -109.181 -140.489 90.1058 -34.313 -206.452 -50.1825 -279.255 PRESSAVG: 2865400 -77.634 -69.8706 -5.89524 -69.8707 43.4202 -35.9573 -5.89533 -35.9573 -12.2213 GPRESSAVG: 2865400 -77.1808 -67.7988 -3.51316 -71.8195 42.5947 -37.6622 -5.68762 -36.2097 -12.0073 TIMING: 2865400 CPU: 9056.4, 0.00313541/step Wall: 9056.4, 0.00313541/step, 1.85913 hours remaining, 239.636719 MB of memory in use. ENERGY: 2865400 4003.5544 20602.1570 14492.8340 229.7769 -203250.2539 2225.4551 0.0000 0.0000 51911.2756 -109785.2009 298.3348 -161696.4765 -109416.6899 298.8122 -150.7238 -126.7156 758884.6390 -15.4784 -15.5311 PRESSURE: 2865600 -161.305 -44.8018 154.106 -44.8013 -350.636 -114.972 154.107 -114.972 76.0245 GPRESSURE: 2865600 -193.509 -35.3912 137.397 -56.2707 -258.075 -32.3797 134.602 -129.807 126.227 PRESSAVG: 2865600 11.3634 -49.15 -20.6209 -49.15 22.1171 4.69907 -20.621 4.69899 -5.09096 GPRESSAVG: 2865600 13.186 -48.2524 -21.7254 -49.2396 22.4423 5.91282 -20.4572 6.18473 -6.39426 TIMING: 2865600 CPU: 9057.03, 0.00314994/step Wall: 9057.03, 0.00314994/step, 1.86757 hours remaining, 239.636719 MB of memory in use. ENERGY: 2865600 3980.7057 20511.4359 14454.5517 239.7925 -203553.3238 2229.9092 0.0000 0.0000 52191.1282 -109945.8006 299.9431 -162136.9288 -109586.9740 299.0190 -145.3056 -108.4522 758935.3253 9.4632 9.7447 PRESSURE: 2865800 -4.04591 -22.5055 -141.485 -22.5054 -37.4525 87.9631 -141.484 87.9637 -217.731 GPRESSURE: 2865800 28.1872 1.07102 -204.666 -20.8361 -38.9723 95.0126 -52.0534 104.982 -155.414 PRESSAVG: 2865800 -42.5289 -29.8577 -4.67426 -29.8576 -12.8221 -36.9766 -4.67424 -36.9766 -9.5947 GPRESSAVG: 2865800 -43.4397 -31.8108 -4.82854 -28.5573 -12.5909 -37.0308 -4.72291 -36.5764 -7.83395 TIMING: 2865800 CPU: 9057.65, 0.00313605/step Wall: 9057.65, 0.00313605/step, 1.85915 hours remaining, 239.636719 MB of memory in use. ENERGY: 2865800 3977.9895 20427.0504 14439.3244 238.2709 -203263.8274 2244.6209 0.0000 0.0000 52067.3990 -109869.1723 299.2321 -161936.5713 -109507.6581 299.0953 -86.4099 -55.3996 760044.1613 -21.6485 -21.2882 PRESSURE: 2866000 -216.321 -34.6493 -94.3718 -34.6497 51.6129 -110.484 -94.3719 -110.485 11.2739 GPRESSURE: 2866000 -108.833 -6.13176 -140.401 109.789 23.1778 -121.93 28.3438 -120.928 11.5682 PRESSAVG: 2866000 -25.0517 -30.1946 3.74594 -30.1946 61.6742 31.4581 3.74594 31.4582 33.8237 GPRESSAVG: 2866000 -24.0469 -29.0788 3.26987 -30.7752 62.3487 31.7431 5.85668 32.0316 31.9503 TIMING: 2866000 CPU: 9058.28, 0.00314171/step Wall: 9058.28, 0.00314171/step, 1.86234 hours remaining, 239.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2866000 4071.4434 20500.4885 14472.1842 259.5883 -203631.9265 2673.5018 0.0000 0.0000 51980.1678 -109674.5525 298.7307 -161654.7202 -109324.5127 299.3721 -51.1447 -24.6956 759839.8678 23.4821 23.4174 PRESSURE: 2866200 259.462 -105.6 -111.931 -105.599 163.243 -258.137 -111.931 -258.137 94.1966 GPRESSURE: 2866200 280.621 -41.0049 -113.944 -116.321 239.003 -183.042 -88.8125 -192.994 60.7081 PRESSAVG: 2866200 30.7392 -21.9217 -66.1589 -21.9216 -22.3688 17.9201 -66.159 17.9201 14.4471 GPRESSAVG: 2866200 28.7286 -21.3278 -64.5153 -21.128 -21.6362 18.5562 -67.7195 16.9672 15.8539 TIMING: 2866200 CPU: 9058.91, 0.00314281/step Wall: 9058.91, 0.00314281/step, 1.86282 hours remaining, 239.636719 MB of memory in use. ENERGY: 2866200 3999.7764 20674.8548 14430.2520 256.7287 -203753.4824 2649.4370 0.0000 0.0000 52100.9829 -109641.4506 299.4251 -161742.4335 -109265.5240 299.3218 172.3006 193.4438 758558.3437 7.6058 7.6488 PRESSURE: 2866400 5.12381 -17.6573 -13.7306 -17.6569 542.11 6.57611 -13.7312 6.57729 64.3387 GPRESSURE: 2866400 47.5711 6.36944 -30.1844 101.435 539.349 106.447 47.1941 80.7242 107.704 PRESSAVG: 2866400 -11.0823 9.59231 -0.808787 9.5923 44.0724 -10.9363 -0.808741 -10.9363 18.0939 GPRESSAVG: 2866400 -10.7989 8.83044 -1.83091 9.39056 43.3747 -10.1634 -0.0891639 -11.131 18.6789 TIMING: 2866400 CPU: 9059.54, 0.00313544/step Wall: 9059.54, 0.00313544/step, 1.85827 hours remaining, 239.636719 MB of memory in use. ENERGY: 2866400 4056.2287 20518.9055 14525.3977 241.2403 -203860.9025 2781.1205 0.0000 0.0000 51905.3552 -109832.6547 298.3008 -161738.0099 -109481.8285 299.0469 203.8575 231.5412 759825.7474 17.0280 17.0849 PRESSURE: 2866600 -125.205 49.3398 -129.308 49.3398 64.7693 62.2618 -129.309 62.2613 -501.964 GPRESSURE: 2866600 -113.127 10.8189 -143.772 100.601 85.9004 126.381 100.957 55.7445 -456.173 PRESSAVG: 2866600 -30.4199 -24.414 -16.2199 -24.4139 61.6583 17.9306 -16.2199 17.9305 17.8652 GPRESSAVG: 2866600 -29.8647 -24.4233 -14.511 -23.7102 62.1421 16.9278 -17.1607 18.5657 17.0442 TIMING: 2866600 CPU: 9060.17, 0.0031453/step Wall: 9060.17, 0.0031453/step, 1.86394 hours remaining, 239.636719 MB of memory in use. ENERGY: 2866600 4061.4063 20656.9265 14493.3159 249.7081 -203527.5862 2658.7659 0.0000 0.0000 51636.9342 -109770.5294 296.7582 -161407.4636 -109423.7472 298.8211 -187.4665 -161.1333 760697.5838 16.3678 16.4405 PRESSURE: 2866800 -129.494 27.4115 -59.3402 27.4113 -124.185 -201.199 -59.3411 -201.2 106.229 GPRESSURE: 2866800 -148.088 -36.744 -100.392 89.8907 -13.7132 -186.264 -5.50727 -266.97 79.7655 PRESSAVG: 2866800 -2.0121 -65.8394 16.6635 -65.8393 7.04166 0.499083 16.6635 0.499062 6.89996 GPRESSAVG: 2866800 -2.49521 -69.2629 16.6382 -64.9929 7.29256 -1.2996 16.5376 -0.160994 6.99882 TIMING: 2866800 CPU: 9060.79, 0.00313872/step Wall: 9060.79, 0.00313872/step, 1.85987 hours remaining, 239.636719 MB of memory in use. ENERGY: 2866800 4022.0213 20464.2243 14501.4313 239.2870 -203450.2572 2239.0986 0.0000 0.0000 52110.2893 -109873.9054 299.4785 -161984.1947 -109502.8564 298.6479 -49.1499 -27.3451 760736.6799 3.9765 3.9321 PRESSURE: 2867000 228.157 38.997 -78.9885 38.9964 246.008 111.681 -78.9878 111.681 557.961 GPRESSURE: 2867000 285.967 130.651 -52.2061 -37.4051 282.579 7.1824 -152.471 115.128 547.964 PRESSAVG: 2867000 -47.3908 -67.166 -29.6708 -67.166 26.8193 11.0931 -29.6707 11.093 9.26866 GPRESSAVG: 2867000 -47.9284 -62.8003 -29.9232 -69.8115 27.6802 12.3934 -28.967 10.3464 8.93902 TIMING: 2867000 CPU: 9061.42, 0.00313951/step Wall: 9061.42, 0.00313951/step, 1.86016 hours remaining, 239.636719 MB of memory in use. ENERGY: 2867000 3984.6408 20456.4221 14534.1344 235.7364 -203843.7597 2798.9100 0.0000 0.0000 52071.9824 -109761.9337 299.2584 -161833.9161 -109391.1467 298.3993 344.0422 372.1697 759898.7487 -3.7676 -3.7697 PRESSURE: 2867200 181.374 -149.586 266.27 -149.586 218.596 101.261 266.27 101.261 204.799 GPRESSURE: 2867200 220.919 -119.743 246.975 -186.481 275.37 124.978 225.584 10.8418 193.523 PRESSAVG: 2867200 -62.2552 -21.9115 2.48984 -21.9114 54.4868 -28.5286 2.48981 -28.5286 -4.62245 GPRESSAVG: 2867200 -60.8871 -24.6074 2.15692 -20.6065 51.8661 -28.9022 2.13954 -29.7706 -3.39534 TIMING: 2867200 CPU: 9062.05, 0.00315136/step Wall: 9062.05, 0.00315136/step, 1.86701 hours remaining, 239.636719 MB of memory in use. ENERGY: 2867200 3916.9611 20569.5145 14461.8179 245.6946 -203215.1769 2467.1355 0.0000 0.0000 51910.4647 -109643.5887 298.3302 -161554.0533 -109286.8143 299.2129 201.5894 229.9373 760669.5250 -4.1303 -4.1388 PRESSURE: 2867400 341.476 -29.6766 -304.119 -29.6775 -154.791 -305.333 -304.119 -305.332 -37.7241 GPRESSURE: 2867400 290.938 -56.1281 -244.538 -30.3871 -8.86539 -226.616 -161.674 -194.357 -57.3302 PRESSAVG: 2867400 29.5053 -44.9779 67.4793 -44.9779 31.3174 14.3033 67.4792 14.3034 24.9666 GPRESSAVG: 2867400 30.5727 -44.9216 67.9822 -45.9162 31.3918 13.9428 66.4012 16.5929 23.5426 TIMING: 2867400 CPU: 9062.68, 0.00316045/step Wall: 9062.68, 0.00316045/step, 1.87222 hours remaining, 239.636719 MB of memory in use. ENERGY: 2867400 3977.9819 20524.5455 14524.4281 217.2018 -203272.6558 2326.1681 0.0000 0.0000 51965.3909 -109736.9394 298.6458 -161702.3303 -109371.2716 298.8010 49.6537 74.9140 757873.9352 28.5964 28.5023 PRESSURE: 2867600 -65.3391 228.675 116.785 228.676 495.407 20.552 116.786 20.5511 -79.5467 GPRESSURE: 2867600 -74.4106 198.856 79.6135 340.563 507.062 21.5879 -142.015 54.4343 7.94236 PRESSAVG: 2867600 21.2998 14.3323 -8.51546 14.3322 3.15571 40.7152 -8.51547 40.7152 17.3341 GPRESSAVG: 2867600 21.3379 16.7786 -8.85701 13.7016 3.83948 40.8217 -7.99575 41.719 16.8886 TIMING: 2867600 CPU: 9063.31, 0.00314767/step Wall: 9063.31, 0.00314767/step, 1.86447 hours remaining, 239.636719 MB of memory in use. ENERGY: 2867600 3983.3114 20476.2280 14535.7760 242.4489 -203247.6835 2529.4186 0.0000 0.0000 51863.3738 -109617.1268 298.0595 -161480.5006 -109256.3470 298.9290 116.8403 146.8646 758245.9560 13.9299 14.0220 PRESSURE: 2867800 -175.898 13.528 217.32 13.5288 -45.3355 191.263 217.319 191.264 -166.041 GPRESSURE: 2867800 -153.242 95.3011 209.593 156.36 -81.2686 153.622 165.323 73.718 -85.0714 PRESSAVG: 2867800 53.7254 17.0847 1.9954 17.0848 -67.2542 10.2543 1.99536 10.2543 17.902 GPRESSAVG: 2867800 52.5704 16.638 1.48434 16.9196 -67.0182 10.3854 0.565852 9.52951 18.6402 TIMING: 2867800 CPU: 9063.95, 0.00316182/step Wall: 9063.95, 0.00316182/step, 1.87267 hours remaining, 239.636719 MB of memory in use. ENERGY: 2867800 3993.5206 20479.0482 14492.8399 219.7148 -203313.5917 2268.5344 0.0000 0.0000 52259.8665 -109600.0674 300.3382 -161859.9339 -109245.8788 299.0915 -129.0913 -106.5275 758535.7946 1.4577 1.3975 PRESSURE: 2868000 132.262 93.1128 -102.806 93.1131 17.3993 93.5456 -102.807 93.5452 252.764 GPRESSURE: 2868000 94.041 53.7736 -112.204 170.157 22.374 216.077 -129.88 67.5091 340.991 PRESSAVG: 2868000 -10.3102 14.5543 -55.1916 14.5543 23.1621 18.6823 -55.1916 18.6824 0.891944 GPRESSAVG: 2868000 -9.99855 13.1879 -56.4379 15.8023 23.3444 21.127 -51.8813 15.8975 0.47874 TIMING: 2868000 CPU: 9064.58, 0.00314297/step Wall: 9064.58, 0.00314297/step, 1.86134 hours remaining, 239.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2868000 3978.2267 20586.8670 14424.5138 254.5750 -203481.1947 2458.0499 0.0000 0.0000 52243.0653 -109535.8971 300.2416 -161778.9623 -109173.7367 299.9974 134.1418 152.4688 759437.5061 4.5813 4.6082 PRESSURE: 2868200 92.8824 87.2974 182.553 87.2976 -115.208 -97.4946 182.554 -97.494 327.081 GPRESSURE: 2868200 195.388 143.915 135.036 -57.1254 -100.81 44.8633 210.561 -70.9501 301.456 PRESSAVG: 2868200 -34.9369 11.1962 -19.9148 11.1963 24.4676 -10.431 -19.9149 -10.431 -2.90678 GPRESSAVG: 2868200 -33.8397 12.9125 -18.8704 11.9262 23.9863 -12.4355 -19.706 -8.82044 -3.9965 TIMING: 2868200 CPU: 9065.2, 0.00313807/step Wall: 9065.2, 0.00313807/step, 1.85826 hours remaining, 239.636719 MB of memory in use. ENERGY: 2868200 4016.3935 20545.1755 14483.7183 258.2363 -203481.2627 2568.9052 0.0000 0.0000 51921.1139 -109687.7200 298.3914 -161608.8340 -109312.9474 299.3541 101.5854 132.0112 759625.7402 -4.4587 -4.6166 LDB: ============= START OF LOAD BALANCING ============== 9077.6 LDB: ============== END OF LOAD BALANCING =============== 9077.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9077.6 LDB: ============= START OF LOAD BALANCING ============== 9077.92 LDB: Largest compute 7058 load 0.036309 is 18.5% of average load 0.196122 LDB: Average compute 0.004388 is 2.2% of average load 0.196122 LDB: TIME 9077.92 LOAD: AVG 0.196122 MAX 0.219315 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 9077.92 LOAD: AVG 0.196122 MAX 0.219315 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 9077.92 LOAD: AVG 0.196122 MAX 0.219315 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 9077.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9077.93 PRESSURE: 2868400 -339.108 -20.6086 111.059 -20.6093 -59.4783 -77.3744 111.06 -77.3735 -31.0569 GPRESSURE: 2868400 -273.646 67.5304 77.9624 -141.748 -45.7208 -87.0218 75.305 75.7646 -28.95 PRESSAVG: 2868400 2.64941 -19.3749 -13.5729 -19.3749 28.4843 40.4743 -13.5729 40.4743 5.81177 GPRESSAVG: 2868400 2.41492 -22.204 -13.6855 -20.6403 28.8014 40.1479 -15.3526 41.1337 5.7104 TIMING: 2868400 CPU: 9065.85, 0.00321949/step Wall: 9065.85, 0.00321949/step, 1.9063 hours remaining, 237.949219 MB of memory in use. ENERGY: 2868400 3973.3315 20512.2012 14486.7465 210.1979 -203114.3901 2055.3245 0.0000 0.0000 52339.2542 -109537.3343 300.7944 -161876.5885 -109175.0403 299.2629 -143.2145 -116.1056 758592.1460 12.3152 12.3089 PRESSURE: 2868600 -70.9853 -43.9338 146.461 -43.9334 74.027 21.2621 146.461 21.261 -50.0784 GPRESSURE: 2868600 -49.5284 1.39307 135.435 -25.8994 128.447 40.5867 120.673 -81.9127 -48.25 PRESSAVG: 2868600 -82.0879 -54.3689 33.3359 -54.3689 57.5072 4.73831 33.3359 4.73827 -17.1512 GPRESSAVG: 2868600 -81.8766 -52.1373 31.9882 -54.6895 57.1919 3.35615 34.5687 4.10935 -17.1949 TIMING: 2868600 CPU: 9066.48, 0.00314308/step Wall: 9066.48, 0.00314308/step, 1.86088 hours remaining, 238.152344 MB of memory in use. ENERGY: 2868600 3962.4137 20614.8848 14455.2192 241.2900 -203444.2229 2455.4825 0.0000 0.0000 52183.0170 -109531.9157 299.8965 -161714.9327 -109169.1546 299.9781 -15.6789 10.2229 759995.0708 -13.9106 -13.9599 PRESSURE: 2868800 60.2364 -136.68 148.292 -136.68 -154.664 -12.6849 148.291 -12.6849 329.083 GPRESSURE: 2868800 16.1945 -115.389 239.386 -218.212 -4.14746 -96.168 159.295 40.0426 321.054 PRESSAVG: 2868800 -27.495 -21.2281 13.0727 -21.228 29.8616 27.4463 13.0727 27.4463 -2.64191 GPRESSAVG: 2868800 -28.4195 -21.9018 13.8692 -21.6117 29.7783 28.603 14.6656 28.4185 -1.11774 TIMING: 2868800 CPU: 9067.1, 0.00314566/step Wall: 9067.1, 0.00314566/step, 1.86223 hours remaining, 238.152344 MB of memory in use. ENERGY: 2868800 3975.3474 20603.3416 14457.3486 248.2605 -203140.2994 2393.6856 0.0000 0.0000 52000.5992 -109461.7167 298.8482 -161462.3159 -109088.7296 299.0943 78.2185 111.0335 760028.2627 -0.0918 0.0804 PRESSURE: 2869000 12.5436 -18.1084 186.422 -18.1088 -29.9381 302.823 186.422 302.823 -64.9282 GPRESSURE: 2869000 103.191 101.192 172.063 -2.63723 -46.0618 356.535 69.7699 261.192 -67.1022 PRESSAVG: 2869000 44.6023 26.6537 -11.4125 26.6537 3.75967 31.3797 -11.4125 31.3795 7.90354 GPRESSAVG: 2869000 44.3724 28.4631 -9.17853 27.1648 5.35285 29.9697 -15.5927 29.3467 6.35507 TIMING: 2869000 CPU: 9067.74, 0.0031541/step Wall: 9067.74, 0.0031541/step, 1.86705 hours remaining, 238.152344 MB of memory in use. ENERGY: 2869000 3976.4936 20515.7743 14438.4256 256.6266 -203129.8593 2395.9671 0.0000 0.0000 52186.3745 -109360.1976 299.9158 -161546.5721 -109001.5626 299.6999 -27.4409 -3.3243 760232.9838 18.7552 18.6934 PRESSURE: 2869200 276.261 -54.4569 -95.0527 -54.4564 -236.779 -206.329 -95.0527 -206.329 448.06 GPRESSURE: 2869200 204.94 24.6624 -120.66 -32.742 -47.7616 -108.824 -76.9382 -102.868 418.551 PRESSAVG: 2869200 -39.0755 36.7284 -51.8833 36.7284 48.5724 22.5157 -51.8833 22.5156 -9.70127 GPRESSAVG: 2869200 -38.8198 35.8062 -51.3816 38.2039 48.0569 23.6983 -50.6536 24.5837 -9.52552 TIMING: 2869200 CPU: 9068.36, 0.00313723/step Wall: 9068.36, 0.00313723/step, 1.85689 hours remaining, 238.152344 MB of memory in use. ENERGY: 2869200 3940.6794 20474.6410 14431.3549 250.3351 -203098.1334 2469.8829 0.0000 0.0000 52023.9105 -109507.3294 298.9821 -161531.2399 -109157.8172 299.3692 162.5141 191.9099 761102.1228 -0.0681 -0.0962 PRESSURE: 2869400 136.456 -75.7887 41.1971 -75.7892 108.188 187.252 41.1968 187.252 378.257 GPRESSURE: 2869400 159.145 -123.402 52.1657 -23.357 125.995 158.618 -56.1966 41.103 413.451 PRESSAVG: 2869400 -38.731 -30.1577 -30.1005 -30.1578 38.4701 28.9315 -30.1006 28.9314 -24.3794 GPRESSAVG: 2869400 -39.0422 -29.693 -31.9255 -31.2545 38.1704 28.2798 -29.5728 28.8875 -23.6849 TIMING: 2869400 CPU: 9068.99, 0.00315949/step Wall: 9068.99, 0.00315949/step, 1.86989 hours remaining, 238.152344 MB of memory in use. ENERGY: 2869400 4024.8857 20534.6320 14438.4368 235.0735 -203216.9223 2408.6637 0.0000 0.0000 51980.8178 -109594.4127 298.7345 -161575.2305 -109232.6773 299.5207 207.6335 232.8639 759368.4268 -8.2134 -8.1856 PRESSURE: 2869600 -66.6192 -236.547 -134.936 -236.547 -79.0198 -63.9089 -134.935 -63.9088 493.446 GPRESSURE: 2869600 -81.8085 -130.19 -80.5524 -237.933 64.6903 -123.09 -141.556 -128.065 463.089 PRESSAVG: 2869600 9.23733 -70.7413 21.1244 -70.7413 18.3552 30.3629 21.1243 30.363 15.0514 GPRESSAVG: 2869600 9.38708 -72.2106 20.849 -70.3888 18.4647 30.606 20.8569 31.154 14.5653 TIMING: 2869600 CPU: 9069.62, 0.00314296/step Wall: 9069.62, 0.00314296/step, 1.85993 hours remaining, 238.152344 MB of memory in use. ENERGY: 2869600 3982.0010 20355.5227 14467.5090 231.0345 -203052.3904 2293.9346 0.0000 0.0000 52069.9384 -109652.4503 299.2467 -161722.3887 -109299.7230 299.2966 115.9357 148.6570 758900.5113 14.2147 14.1390 PRESSURE: 2869800 100.094 -172.484 27.9401 -172.484 89.563 20.3936 27.9399 20.3925 93.1418 GPRESSURE: 2869800 125.023 -170.495 64.2739 -114.112 116.691 -30.8013 34.6834 147.087 129.852 PRESSAVG: 2869800 53.308 -90.8328 -61.7437 -90.8328 -7.1517 -34.112 -61.7436 -34.1119 -4.73111 GPRESSAVG: 2869800 53.6322 -88.7698 -60.782 -91.9619 -7.91024 -35.1249 -61.1656 -34.5204 -4.13061 TIMING: 2869800 CPU: 9070.26, 0.00316214/step Wall: 9070.26, 0.00316214/step, 1.87111 hours remaining, 238.152344 MB of memory in use. ENERGY: 2869800 4026.2831 20447.1921 14421.8510 251.7901 -203093.4259 2280.3327 0.0000 0.0000 51979.7471 -109686.2298 298.7283 -161665.9769 -109335.8727 299.0597 94.2663 123.8552 759056.1700 13.8084 13.8638 PRESSURE: 2870000 158.342 -93.1043 -107.253 -93.103 65.1397 -269.244 -107.253 -269.244 -123.556 GPRESSURE: 2870000 165.945 49.9975 -47.5112 -50.9067 123.086 -255.904 -42.5382 -206.92 -106.088 PRESSAVG: 2870000 -48.3897 -50.4183 -54.0395 -50.4183 -15.6006 -25.3651 -54.0395 -25.365 -7.17937 GPRESSAVG: 2870000 -47.4012 -50.524 -55.4883 -48.9135 -15.2019 -23.6104 -53.2253 -26.7591 -9.04216 TIMING: 2870000 CPU: 9070.89, 0.00315822/step Wall: 9070.89, 0.00315822/step, 1.86861 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2870000 3991.2033 20296.6575 14421.8243 254.6403 -203495.5237 2605.6998 0.0000 0.0000 52143.5749 -109781.9235 299.6698 -161925.4985 -109417.8241 298.7547 33.3087 60.9810 760487.1682 -23.7232 -23.8817 PRESSURE: 2870200 -172.478 -342.008 78.0119 -342.009 -344.481 43.5855 78.0114 43.5858 311.107 GPRESSURE: 2870200 -128.239 -424.919 103.218 -335.544 -235.885 24.9322 167.525 69.8998 281.421 PRESSAVG: 2870200 -2.29176 -109.866 -13.5115 -109.866 -7.16174 -37.0558 -13.5115 -37.0558 -7.37855 GPRESSAVG: 2870200 -3.71107 -111.198 -12.382 -109.343 -6.78379 -35.6728 -15.1018 -36.405 -5.83448 TIMING: 2870200 CPU: 9071.51, 0.00313948/step Wall: 9071.51, 0.00313948/step, 1.85735 hours remaining, 238.152344 MB of memory in use. ENERGY: 2870200 3927.4997 20394.5833 14451.1390 270.7986 -203582.4868 2548.8562 0.0000 0.0000 52067.4104 -109922.1997 299.2321 -161989.6100 -109550.0154 298.7702 -68.6174 -27.5678 760722.0672 -5.6107 -5.4431 PRESSURE: 2870400 617.064 -224.609 26.4065 -224.608 12.9982 275.962 26.406 275.963 203.203 GPRESSURE: 2870400 554.256 -202.379 -11.5226 -211.379 89.5631 264.94 -64.8188 255.948 271.738 PRESSAVG: 2870400 6.12838 -30.7487 -14.3074 -30.7487 -47.8369 25.2086 -14.3074 25.2088 30.5486 GPRESSAVG: 2870400 5.71992 -29.1563 -14.0545 -33.3451 -46.9054 23.8754 -15.1861 24.1425 29.7885 TIMING: 2870400 CPU: 9072.15, 0.00315493/step Wall: 9072.15, 0.00315493/step, 1.86632 hours remaining, 238.152344 MB of memory in use. ENERGY: 2870400 3959.1375 20513.6022 14448.2210 267.9262 -203784.7236 2676.9258 0.0000 0.0000 51873.0516 -110045.8593 298.1151 -161918.9109 -109692.5916 297.7597 277.7550 305.1857 760744.7448 -3.7200 -3.7990 PRESSURE: 2870600 119.599 28.3384 -178.71 28.3391 46.0988 19.2639 -178.71 19.2636 -245.032 GPRESSURE: 2870600 145.039 -36.6667 -98.6425 -33.8459 121.655 1.92032 -125.192 -27.2607 -260.259 PRESSAVG: 2870600 13.3949 -28.1751 11.5436 -28.175 12.2907 54.1113 11.5435 54.1114 -10.31 GPRESSAVG: 2870600 13.9555 -30.0631 11.4947 -26.8946 11.4984 52.418 12.5928 56.5966 -10.1646 TIMING: 2870600 CPU: 9072.77, 0.00314505/step Wall: 9072.77, 0.00314505/step, 1.8603 hours remaining, 238.152344 MB of memory in use. ENERGY: 2870600 4026.4434 20481.6597 14472.7456 241.3282 -203701.7064 2606.4522 0.0000 0.0000 51924.8926 -109948.1847 298.4131 -161873.0773 -109586.3040 298.4357 -26.4447 2.1451 759790.5742 5.1252 5.0964 PRESSURE: 2870800 -303.944 283.993 33.1047 283.993 -122.35 130.991 33.1037 130.993 -156.71 GPRESSURE: 2870800 -336.324 347.059 48.6754 184.502 -32.0856 114.716 30.7899 91.0885 -128.748 PRESSAVG: 2870800 22.397 -58.7239 2.71355 -58.7239 -8.35506 15.1429 2.71359 15.1428 -2.83831 GPRESSAVG: 2870800 21.7863 -55.5108 2.22584 -59.4392 -8.6769 15.793 5.12124 11.717 -2.45309 TIMING: 2870800 CPU: 9073.4, 0.0031435/step Wall: 9073.4, 0.0031435/step, 1.8592 hours remaining, 238.152344 MB of memory in use. ENERGY: 2870800 4049.6146 20433.0355 14477.0452 254.1674 -203713.2408 2483.8140 0.0000 0.0000 51928.9546 -110086.6095 298.4364 -162015.5641 -109743.4836 298.4966 -194.3347 -165.7193 759038.4751 3.7346 3.5521 PRESSURE: 2871000 -21.8384 18.7642 -178.025 18.7641 -33.7884 -18.197 -178.026 -18.1943 72.9053 GPRESSURE: 2871000 2.88442 -77.7833 -207.919 -24.4648 83.4027 22.9333 -231.295 84.1212 21.4219 PRESSAVG: 2871000 27.9526 4.47348 8.42363 4.47351 -32.7132 -21.6959 8.42364 -21.6959 8.5163 GPRESSAVG: 2871000 28.0054 2.18126 7.10437 4.7871 -31.3561 -20.49 6.01401 -21.0625 7.65902 TIMING: 2871000 CPU: 9074.03, 0.00314576/step Wall: 9074.03, 0.00314576/step, 1.86037 hours remaining, 238.152344 MB of memory in use. ENERGY: 2871000 4010.5534 20402.2934 14494.8639 242.1651 -203776.4670 2541.1156 0.0000 0.0000 52153.3509 -109932.1248 299.7260 -162085.4757 -109560.0038 298.7482 5.7595 35.9030 759159.3012 1.2519 1.4361 PRESSURE: 2871200 -240.887 -126.291 -60.1512 -126.29 -178.63 -240.071 -60.1509 -240.071 -99.9407 GPRESSURE: 2871200 -134.894 -28.7347 -183.309 -109.972 -208.078 -222.452 93.4834 -178.382 -96.7047 PRESSAVG: 2871200 42.2419 -33.0173 1.15158 -33.0173 -63.0041 -48.731 1.1516 -48.7309 -7.60027 GPRESSAVG: 2871200 42.0095 -30.1847 0.717617 -34.2973 -63.4812 -50.1933 1.16397 -48.8915 -7.37616 TIMING: 2871200 CPU: 9074.66, 0.00314369/step Wall: 9074.66, 0.00314369/step, 1.85897 hours remaining, 238.152344 MB of memory in use. ENERGY: 2871200 3970.6225 20585.5904 14433.4351 242.3428 -203602.0740 2508.3221 0.0000 0.0000 51985.0276 -109876.7334 298.7587 -161861.7611 -109514.1043 299.2099 -173.1525 -146.5592 760497.1182 -9.4542 -9.6159 PRESSURE: 2871400 -14.5476 63.3281 -258.293 63.3284 -194.524 -33.6065 -258.292 -33.6046 -138.29 GPRESSURE: 2871400 52.2433 104.37 -175.838 81.9156 -132.617 -33.8619 -226.503 -23.5793 -178.132 PRESSAVG: 2871400 18.5233 -26.1692 -1.79876 -26.1692 -39.6756 -23.4349 -1.79881 -23.435 13.9016 GPRESSAVG: 2871400 18.9879 -28.0814 0.285479 -23.1986 -40.0329 -22.1532 -2.92201 -23.3863 13.6525 TIMING: 2871400 CPU: 9075.29, 0.00313939/step Wall: 9075.29, 0.00313939/step, 1.85625 hours remaining, 238.152344 MB of memory in use. ENERGY: 2871400 3988.9219 20493.5868 14511.0541 252.4476 -203763.2458 2633.5799 0.0000 0.0000 51917.7014 -109965.9541 298.3717 -161883.6556 -109602.9984 298.8989 -115.7872 -86.1685 759792.5460 -2.4169 -2.4642 PRESSURE: 2871600 78.1407 -185.311 -97.9502 -185.312 348.82 204.414 -97.9504 204.414 -154.419 GPRESSURE: 2871600 184.401 -131.056 -50.1085 -155.084 354.627 276.173 -155.015 106.737 -173.69 PRESSAVG: 2871600 -4.16149 -56.3188 -12.0279 -56.3188 -28.2462 20.8518 -12.0279 20.8518 10.0768 GPRESSAVG: 2871600 -4.6065 -56.1595 -10.813 -56.8664 -28.5176 21.18 -11.0836 20.7373 10.6005 TIMING: 2871600 CPU: 9075.92, 0.00316077/step Wall: 9075.92, 0.00316077/step, 1.86872 hours remaining, 238.152344 MB of memory in use. ENERGY: 2871600 3909.6959 20625.4973 14446.1405 224.1532 -203664.7829 2668.6924 0.0000 0.0000 51954.4888 -109836.1148 298.5832 -161790.6036 -109478.9892 299.2760 90.8470 121.7796 760193.3495 -7.4436 -7.5079 PRESSURE: 2871800 95.0813 57.6565 6.05689 57.6558 -43.2756 25.8623 6.05728 25.8623 -218.141 GPRESSURE: 2871800 146.25 141.176 5.46365 32.9423 48.802 -129.506 104.166 52.0529 -263.412 PRESSAVG: 2871800 25.7872 -5.62037 -30.3721 -5.62038 -17.3122 14.9061 -30.3721 14.906 -9.81134 GPRESSAVG: 2871800 26.5245 -4.75312 -32.394 -7.01624 -17.7776 13.0114 -30.2519 16.218 -10.3582 TIMING: 2871800 CPU: 9076.56, 0.00316974/step Wall: 9076.56, 0.00316974/step, 1.87385 hours remaining, 238.152344 MB of memory in use. ENERGY: 2871800 4016.3393 20529.9306 14527.6095 242.1247 -203262.7871 2172.1386 0.0000 0.0000 51984.3268 -109790.3176 298.7546 -161774.6444 -109454.0623 299.2140 -55.4450 -22.7867 758731.2960 -0.4455 -0.5371 PRESSURE: 2872000 15.2896 -155.081 -128.509 -155.08 269.382 -77.0227 -128.509 -77.0223 214.829 GPRESSURE: 2872000 81.7455 -231.62 -105.72 -171.543 233.31 -82.5919 -199.335 -37.5176 257 PRESSAVG: 2872000 21.3445 33.4404 -29.3002 33.4404 -44.2088 30.2377 -29.3002 30.2377 -9.17629 GPRESSAVG: 2872000 20.4357 34.0184 -29.1255 34.0406 -43.3419 30.5321 -29.5731 31.5464 -8.9431 TIMING: 2872000 CPU: 9077.19, 0.00315419/step Wall: 9077.19, 0.00315419/step, 1.86448 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2872000 4004.1638 20547.2371 14532.5770 247.1360 -203540.6038 2425.7916 0.0000 0.0000 51961.0384 -109822.6600 298.6208 -161783.6984 -109455.3796 299.0627 166.5003 190.6853 758997.0306 -10.6802 -10.6164 PRESSURE: 2872200 -452.223 222.24 -284.254 222.241 -108.33 -112.838 -284.255 -112.838 -242.026 GPRESSURE: 2872200 -361.333 270.819 -243.416 157.412 -160.663 -121.363 -213.411 -138.803 -181.336 PRESSAVG: 2872200 39.0441 21.6133 0.641555 21.6134 -1.32096 13.5244 0.641608 13.5245 12.235 GPRESSAVG: 2872200 39.8021 23.2751 0.319612 19.8184 -2.30369 13.8524 0.324352 11.578 12.5298 TIMING: 2872200 CPU: 9077.82, 0.00315855/step Wall: 9077.82, 0.00315855/step, 1.86688 hours remaining, 238.152344 MB of memory in use. ENERGY: 2872200 4019.8523 20440.6649 14484.6790 238.9971 -202911.3467 1845.4255 0.0000 0.0000 51773.3183 -110108.4096 297.5420 -161881.7279 -109744.9182 298.8523 -267.5262 -234.4439 759987.6355 16.6527 16.6760 LDB: ============= START OF LOAD BALANCING ============== 9090.22 LDB: ============== END OF LOAD BALANCING =============== 9090.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9090.22 LDB: ============= START OF LOAD BALANCING ============== 9090.54 LDB: Largest compute 7057 load 0.033806 is 17.2% of average load 0.196009 LDB: Average compute 0.004419 is 2.3% of average load 0.196009 LDB: TIME 9090.54 LOAD: AVG 0.196009 MAX 0.217014 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.492 MB LDB: TIME 9090.54 LOAD: AVG 0.196009 MAX 0.217014 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.699 MB LDB: TIME 9090.54 LOAD: AVG 0.196009 MAX 0.217014 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.699 MB LDB: ============== END OF LOAD BALANCING =============== 9090.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9090.55 PRESSURE: 2872400 -199.509 44.8624 254.12 44.8626 -131.059 54.7472 254.12 54.7463 -277.983 GPRESSURE: 2872400 -89.2655 17.3168 327.336 66.2486 -199.784 81.6221 250.627 79.8264 -221.527 PRESSAVG: 2872400 5.85805 3.75008 -46.7757 3.75007 -32.4794 -44.8286 -46.7756 -44.8284 -18.8631 GPRESSAVG: 2872400 5.55151 2.36426 -47.4417 3.75716 -31.7763 -44.3942 -43.3879 -43.3234 -19.6451 TIMING: 2872400 CPU: 9078.47, 0.00323645/step Wall: 9078.47, 0.00323645/step, 1.91274 hours remaining, 237.128906 MB of memory in use. ENERGY: 2872400 3975.1905 20501.6354 14478.9951 251.4483 -203676.6136 2228.4491 0.0000 0.0000 52130.6537 -110110.2414 299.5956 -162240.8951 -109753.4825 298.3432 -202.8504 -170.1922 759084.5575 -15.1615 -15.2900 PRESSURE: 2872600 49.7921 -0.264699 25.8875 -0.265099 -127.332 196.536 25.8871 196.536 213.187 GPRESSURE: 2872600 184.131 33.6581 -7.98228 -18.4262 -98.46 178.525 52.7068 94.0878 131.966 PRESSAVG: 2872600 -6.93793 12.513 18.5177 12.513 -14.1002 7.91655 18.5178 7.91656 -11.6538 GPRESSAVG: 2872600 -5.79117 10.7947 20.6371 15.1981 -15.8543 7.48228 17.2843 6.71047 -11.1375 TIMING: 2872600 CPU: 9079.1, 0.00315931/step Wall: 9079.1, 0.00315932/step, 1.86698 hours remaining, 237.128906 MB of memory in use. ENERGY: 2872600 3957.8043 20323.0543 14484.8321 243.1268 -203125.3304 2456.0033 0.0000 0.0000 51710.5577 -109949.9519 297.1813 -161660.5096 -109579.2990 298.5977 45.2157 72.5457 761259.6047 -10.8973 -10.9277 PRESSURE: 2872800 181.227 17.3361 133.45 17.3361 -133.503 -145.166 133.451 -145.166 268.823 GPRESSURE: 2872800 133.599 57.9656 180.941 -9.68452 -2.61511 -155.889 135.05 -233.658 250.404 PRESSAVG: 2872800 19.6821 -67.4984 24.7006 -67.4984 -52.824 -5.42872 24.7006 -5.42869 1.20253 GPRESSAVG: 2872800 19.2072 -66.3305 24.4967 -67.2632 -52.1117 -4.56846 24.019 -5.97172 0.503007 TIMING: 2872800 CPU: 9079.73, 0.00315517/step Wall: 9079.73, 0.00315517/step, 1.86435 hours remaining, 237.128906 MB of memory in use. ENERGY: 2872800 3962.5787 20597.4134 14544.4998 248.6554 -204179.6482 2896.0553 0.0000 0.0000 52166.5308 -109763.9148 299.8018 -161930.4456 -109404.9547 298.3281 105.5160 127.1294 760192.3741 -10.6464 -10.8005 PRESSURE: 2873000 -188.816 -142.094 -83.4965 -142.093 209.288 -69.8453 -83.4977 -69.8457 -320.436 GPRESSURE: 2873000 -119.223 -156.093 -83.6316 -46.4095 172.19 -118.604 -125.124 -75.8993 -271.364 PRESSAVG: 2873000 -70.1492 -34.9691 -9.29603 -34.9691 33.0451 -16.5268 -9.296 -16.5267 -3.84767 GPRESSAVG: 2873000 -70.295 -37.0877 -10.3711 -33.6738 32.6834 -17.2471 -8.50786 -18.1352 -2.67763 TIMING: 2873000 CPU: 9080.36, 0.00315799/step Wall: 9080.36, 0.00315799/step, 1.86585 hours remaining, 237.128906 MB of memory in use. ENERGY: 2873000 4017.4838 20369.1562 14542.3505 247.2400 -203621.1442 2526.4967 0.0000 0.0000 52097.0099 -109821.4071 299.4022 -161918.4170 -109460.7568 298.3060 -99.9878 -72.7990 760923.3440 -13.6506 -13.4298 PRESSURE: 2873200 29.6308 -58.0052 -19.2231 -58.0047 109.23 -218.362 -19.2229 -218.362 582.768 GPRESSURE: 2873200 59.3675 -119.395 -39.0253 -87.6224 125.88 -86.0427 -215.381 -119.937 617.354 PRESSAVG: 2873200 -36.6983 -32.3664 -10.8236 -32.3664 49.349 -26.8268 -10.8236 -26.8268 -18.4181 GPRESSAVG: 2873200 -37.1269 -33.6494 -9.59972 -32.1206 50.3026 -25.9275 -13.4881 -23.8774 -18.8729 TIMING: 2873200 CPU: 9080.99, 0.00315625/step Wall: 9080.99, 0.00315625/step, 1.86464 hours remaining, 237.128906 MB of memory in use. ENERGY: 2873200 3973.0768 20437.1692 14591.8029 233.2585 -203810.3064 2771.4674 0.0000 0.0000 51981.6978 -109821.8338 298.7395 -161803.5316 -109453.4516 298.9181 240.5430 267.5336 760725.6492 -1.9225 -1.8991 PRESSURE: 2873400 272.09 45.7431 24.7701 45.7423 -22.9559 -35.9647 24.7691 -35.9636 384.966 GPRESSURE: 2873400 226.167 93.1407 24.7606 53.7391 51.7905 -52.4325 129.953 -12.7499 442.994 PRESSAVG: 2873400 -1.4099 -34.0446 21.6371 -34.0446 26.4401 6.7501 21.6371 6.75008 28.4736 GPRESSAVG: 2873400 -2.10207 -29.0271 23.3643 -38.3128 27.0672 4.73418 20.9388 7.94562 28.6196 TIMING: 2873400 CPU: 9081.62, 0.00315509/step Wall: 9081.62, 0.00315509/step, 1.86378 hours remaining, 237.128906 MB of memory in use. ENERGY: 2873400 4007.5627 20527.6090 14459.8399 236.9904 -203627.1737 2815.5993 0.0000 0.0000 51992.2393 -109587.3331 298.8001 -161579.5724 -109234.4404 299.0800 211.3666 240.3170 762674.7497 17.8346 17.8616 PRESSURE: 2873600 -148.726 -230.091 116.759 -230.091 89.2633 104.197 116.759 104.196 -157.154 GPRESSURE: 2873600 -18.3322 -191.142 123.667 -170.732 67.2747 156.957 5.33756 93.7897 -174.327 PRESSAVG: 2873600 -2.5467 -45.4346 17.1122 -45.4346 11.898 39.2358 17.1123 39.2358 20.4881 GPRESSAVG: 2873600 -1.19555 -49.4364 15.7961 -40.6742 11.6088 40.5234 17.7593 36.8402 18.832 TIMING: 2873600 CPU: 9082.25, 0.00314627/step Wall: 9082.25, 0.00314627/step, 1.8584 hours remaining, 237.128906 MB of memory in use. ENERGY: 2873600 3930.1281 20461.3571 14513.7058 232.7317 -203307.3600 2559.6531 0.0000 0.0000 51791.6246 -109818.1596 297.6472 -161609.7842 -109452.5102 298.4651 -72.2057 -41.7948 761317.0076 9.9464 9.7484 PRESSURE: 2873800 261.746 -119.443 -196.28 -119.444 -221.711 16.5691 -196.281 16.5699 134.446 GPRESSURE: 2873800 255.237 -113.663 -167.324 -24.6854 -235.675 62.0541 -146.321 55.7711 224.429 PRESSAVG: 2873800 6.50468 -13.5385 22.7379 -13.5385 -51.19 -14.205 22.738 -14.2049 -32.8486 GPRESSAVG: 2873800 6.68686 -12.2595 21.3853 -14.467 -52.7784 -15.0701 26.4333 -13.6785 -31.5928 TIMING: 2873800 CPU: 9082.88, 0.00313698/step Wall: 9082.88, 0.00313698/step, 1.85274 hours remaining, 237.128906 MB of memory in use. ENERGY: 2873800 3954.4836 20361.9264 14495.2625 249.3874 -203292.5632 2377.5857 0.0000 0.0000 51920.7714 -109933.1460 298.3894 -161853.9175 -109575.0022 298.0251 58.1607 81.3302 760539.6583 -25.8447 -25.8948 PRESSURE: 2874000 184.525 206.088 -0.54799 206.087 204.456 -195.844 -0.548055 -195.843 123.345 GPRESSURE: 2874000 237.135 149.279 19.2758 137.901 310.882 -104.353 -92.36 -136.453 61.6659 PRESSAVG: 2874000 -29.5656 11.1415 -50.5277 11.1414 65.1155 -8.13667 -50.5278 -8.13662 13.188 GPRESSAVG: 2874000 -30.593 10.1128 -49.6712 9.23149 66.6094 -9.30542 -51.829 -7.44571 12.4829 TIMING: 2874000 CPU: 9083.51, 0.00314664/step Wall: 9083.51, 0.00314664/step, 1.85826 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2874000 3920.5011 20354.4941 14470.7735 254.1554 -203844.7733 2736.2667 0.0000 0.0000 52139.0306 -109969.5519 299.6437 -162108.5824 -109607.6615 298.0277 170.7754 203.2277 758324.7177 16.2460 16.1664 PRESSURE: 2874200 -154.104 -202.791 101.583 -202.79 -144.39 77.4545 101.582 77.4551 160.245 GPRESSURE: 2874200 -120.975 -80.5032 84.4593 -196.772 -103.795 177.461 -43.767 41.6005 166.526 PRESSAVG: 2874200 -15.8696 -16.1145 42.5246 -16.1146 -11.897 36.5633 42.5245 36.5632 0.445045 GPRESSAVG: 2874200 -15.9537 -15.171 42.7074 -15.5684 -11.4662 36.9039 39.2091 36.2293 0.510872 TIMING: 2874200 CPU: 9084.14, 0.00315531/step Wall: 9084.14, 0.00315531/step, 1.86321 hours remaining, 237.128906 MB of memory in use. ENERGY: 2874200 4017.9930 20494.9560 14426.1967 241.0031 -203190.4429 2272.1647 0.0000 0.0000 51738.2336 -109999.8957 297.3403 -161738.1293 -109646.1308 298.4643 -46.0833 -19.4147 759737.9840 -9.1072 -8.9697 PRESSURE: 2874400 14.2576 -145.306 -18.1068 -145.307 -133.795 -243.347 -18.1069 -243.347 -222.152 GPRESSURE: 2874400 75.9193 -178.3 14.0872 -62.4994 -33.7941 -234.349 -46.3601 -244.204 -302.504 PRESSAVG: 2874400 -15.4841 -15.1853 13.9954 -15.1851 27.2615 -15.8312 13.9953 -15.8312 13.3713 GPRESSAVG: 2874400 -14.7988 -16.5055 14.404 -15.6069 26.2617 -14.6401 14.405 -15.6484 13.3848 TIMING: 2874400 CPU: 9084.77, 0.00315772/step Wall: 9084.77, 0.00315772/step, 1.86446 hours remaining, 237.128906 MB of memory in use. ENERGY: 2874400 3965.0370 20477.1200 14457.0929 234.2107 -203536.0181 2592.7150 0.0000 0.0000 51943.0122 -109866.8303 298.5172 -161809.8424 -109500.8719 298.1413 -113.8964 -86.7930 760718.3268 8.3829 8.2826 PRESSURE: 2874600 -182.417 209.58 105.917 209.58 22.5249 119.424 105.918 119.424 -78.1644 GPRESSURE: 2874600 -198.543 207.073 55.3173 146.234 80.6771 110.698 23.6554 5.04852 -41.71 PRESSAVG: 2874600 -42.627 -1.61578 -9.74382 -1.61584 30.3558 -1.77277 -9.74379 -1.77273 -12.5398 GPRESSAVG: 2874600 -42.8808 0.67562 -10.4633 -1.45499 29.869 -2.79455 -7.81261 -3.316 -11.4883 TIMING: 2874600 CPU: 9085.4, 0.00314533/step Wall: 9085.4, 0.00314533/step, 1.85697 hours remaining, 237.128906 MB of memory in use. ENERGY: 2874600 4054.9962 20480.7381 14475.5909 251.7240 -203217.7320 2240.4289 0.0000 0.0000 51800.8674 -109913.3865 297.7003 -161714.2538 -109571.4928 298.1046 -79.3522 -53.1919 762464.7875 -8.2703 -8.1667 PRESSURE: 2874800 492.943 -92.8693 -47.2952 -92.8689 172.335 99.9292 -47.2948 99.9295 -223.023 GPRESSURE: 2874800 371.186 -143.382 -87.3283 -103.228 209.992 87.6998 -42.5928 124.164 -64.1134 PRESSAVG: 2874800 29.8456 22.412 -2.16513 22.412 24.9168 -24.3535 -2.16515 -24.3535 5.2613 GPRESSAVG: 2874800 29.3978 20.089 -3.00043 24.2591 25.7505 -25.4193 -2.39172 -23.387 5.16615 TIMING: 2874800 CPU: 9086.03, 0.00315168/step Wall: 9086.03, 0.00315168/step, 1.86054 hours remaining, 237.128906 MB of memory in use. ENERGY: 2874800 3912.6194 20496.8308 14419.7432 256.4105 -203522.5469 2697.4520 0.0000 0.0000 51881.8933 -109857.5978 298.1660 -161739.4910 -109499.4093 298.0074 147.4185 172.3550 760897.1180 20.0079 20.1048 PRESSURE: 2875000 -239.488 25.3547 -16.9039 25.3551 -206.844 15.3119 -16.9037 15.3122 -211.323 GPRESSURE: 2875000 -225.752 89.2586 1.73844 -39.2248 -187.344 6.13584 -68.9546 0.498109 -155.981 PRESSAVG: 2875000 34.0277 44.8617 -26.8158 44.8616 -40.439 -13.2969 -26.8158 -13.2968 2.29098 GPRESSAVG: 2875000 34.4653 45.1052 -26.966 44.0545 -40.3449 -11.4424 -25.5618 -14.0538 1.93089 TIMING: 2875000 CPU: 9086.66, 0.00315626/step Wall: 9086.66, 0.00315626/step, 1.86307 hours remaining, 237.128906 MB of memory in use. ENERGY: 2875000 3984.4730 20532.6413 14422.3036 260.5153 -203268.1902 2225.9312 0.0000 0.0000 51713.6525 -110128.6732 297.1991 -161842.3257 -109770.8710 297.6688 -219.2185 -189.6925 761032.0520 -1.3734 -1.3163 PRESSURE: 2875200 -385.824 261.688 313.786 261.688 -156.901 249.847 313.786 249.847 -302.058 GPRESSURE: 2875200 -397.337 182.038 300.811 242.094 10.199 199.624 286.682 327.552 -347.286 PRESSAVG: 2875200 -8.40019 29.4584 5.35264 29.4585 6.39153 11.146 5.35261 11.146 8.60359 GPRESSAVG: 2875200 -9.58054 30.9931 6.90495 28.2322 7.60194 10.6686 4.55241 9.63092 9.09049 TIMING: 2875200 CPU: 9087.29, 0.00314972/step Wall: 9087.29, 0.00314972/step, 1.85904 hours remaining, 237.128906 MB of memory in use. ENERGY: 2875200 4017.5865 20300.3689 14454.3160 238.0845 -203531.5419 2284.3291 0.0000 0.0000 51959.8786 -110276.9783 298.6141 -162236.8569 -109915.7091 297.9761 -281.5944 -244.8079 760557.7075 2.1983 2.3706 PRESSURE: 2875400 -328.952 -201.133 122.574 -201.132 70.2292 30.621 122.574 30.6218 -324.243 GPRESSURE: 2875400 -218.003 -163.402 38.5593 -118.42 26.4059 -74.4902 252.007 97.4187 -295.286 PRESSAVG: 2875400 -40.6363 2.10359 53.8135 2.10358 54.6758 -31.2385 53.8136 -31.2385 -6.35189 GPRESSAVG: 2875400 -39.0991 2.38532 52.409 2.23733 53.5467 -31.3138 55.4855 -27.9762 -7.07521 TIMING: 2875400 CPU: 9087.92, 0.00316515/step Wall: 9087.92, 0.00316515/step, 1.86797 hours remaining, 237.128906 MB of memory in use. ENERGY: 2875400 3955.2980 20552.8182 14447.2468 237.4780 -203257.7049 2322.9901 0.0000 0.0000 51593.4089 -110148.4649 296.5080 -161741.8738 -109791.3356 297.3853 -194.3219 -162.2942 760441.8256 2.5626 2.4575 PRESSURE: 2875600 -48.1441 -40.4745 125.264 -40.4745 -312.052 81.1929 125.264 81.1925 32.685 GPRESSURE: 2875600 -121.604 -5.7301 143.724 -91.7351 -132.225 21.9035 62.8488 151.441 -8.91732 PRESSAVG: 2875600 -21.9413 -42.252 -47.9337 -42.252 8.73635 -33.7417 -47.9337 -33.7417 16.2068 GPRESSAVG: 2875600 -22.1801 -43.7936 -48.3102 -43.1615 9.19645 -33.9319 -51.1745 -32.3463 15.3626 TIMING: 2875600 CPU: 9088.56, 0.00316833/step Wall: 9088.56, 0.00316833/step, 1.86967 hours remaining, 237.128906 MB of memory in use. ENERGY: 2875600 3911.1577 20606.3991 14495.7123 235.9278 -204008.9616 2494.9038 0.0000 0.0000 51896.3197 -110368.5413 298.2489 -162264.8610 -110008.8720 297.8962 -109.1705 -87.5824 760725.6248 1.0006 0.7930 PRESSURE: 2875800 -132.815 -20.2594 -171.397 -20.2583 -111.21 95.1858 -171.396 95.1858 83.7998 GPRESSURE: 2875800 -100.376 156.361 -156.141 -114.55 -33.8023 94.7745 -152.727 -28.453 44.1505 PRESSAVG: 2875800 6.76579 -5.53225 0.129769 -5.53221 -6.64291 10.3238 0.129846 10.3238 19.7028 GPRESSAVG: 2875800 7.45429 -5.17852 1.55647 -5.23339 -6.86767 10.7989 0.546465 7.36523 19.1975 TIMING: 2875800 CPU: 9089.19, 0.00317866/step Wall: 9089.19, 0.00317866/step, 1.87558 hours remaining, 237.128906 MB of memory in use. ENERGY: 2875800 3899.3586 20384.6875 14399.6816 226.6012 -203740.0486 2630.9187 0.0000 0.0000 51997.5007 -110201.3004 298.8304 -162198.8011 -109828.3358 297.8693 -53.4083 -30.0094 760731.1200 6.6086 6.5947 PRESSURE: 2876000 375.967 -45.0621 134.568 -45.0621 126.693 88.1608 134.568 88.1612 188.986 GPRESSURE: 2876000 436.048 -15.0749 189.574 -28.1816 134.723 180.354 -2.44871 18.8971 199.738 PRESSAVG: 2876000 47.9431 -75.3563 -13.8952 -75.3563 37.7373 -12.6148 -13.8953 -12.6148 -12.9739 GPRESSAVG: 2876000 46.6618 -76.6091 -14.351 -74.628 37.7064 -12.5803 -14.2496 -14.2317 -11.7084 TIMING: 2876000 CPU: 9089.83, 0.0031598/step Wall: 9089.83, 0.0031598/step, 1.86428 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2876000 3953.7995 20399.1801 14504.7227 239.5618 -204103.7139 2939.8346 0.0000 0.0000 52082.2328 -109984.3823 299.3173 -162066.6151 -109621.4508 298.3255 230.5490 256.8366 758825.5075 24.2355 24.2199 PRESSURE: 2876200 -34.0596 -260.542 -143.407 -260.542 -97.5881 197.398 -143.407 197.398 20.1548 GPRESSURE: 2876200 63.0615 -260.445 -72.3015 -303.995 -76.9094 198.71 -180.628 159.192 -11.0539 PRESSAVG: 2876200 22.7591 -76.8748 41.356 -76.8748 -34.0144 -3.69287 41.356 -3.69289 -6.08497 GPRESSAVG: 2876200 21.6093 -76.1926 41.2808 -77.7531 -34.3198 -4.8544 42.9686 -1.03499 -5.61962 TIMING: 2876200 CPU: 9090.46, 0.00315132/step Wall: 9090.46, 0.00315132/step, 1.85911 hours remaining, 237.128906 MB of memory in use. ENERGY: 2876200 3945.7792 20574.3300 14498.0785 255.9202 -203429.5505 2271.1708 0.0000 0.0000 51957.1249 -109927.1468 298.5983 -161884.2717 -109565.9672 298.4605 -37.1643 -8.3006 760719.5450 -5.7801 -6.1101 LDB: ============= START OF LOAD BALANCING ============== 9102.86 LDB: ============== END OF LOAD BALANCING =============== 9102.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9102.86 LDB: ============= START OF LOAD BALANCING ============== 9103.17 LDB: Largest compute 7025 load 0.033866 is 17.3% of average load 0.196073 LDB: Average compute 0.004386 is 2.2% of average load 0.196073 LDB: TIME 9103.18 LOAD: AVG 0.196073 MAX 0.217563 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 9103.18 LOAD: AVG 0.196073 MAX 0.217563 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.391 MB LDB: TIME 9103.18 LOAD: AVG 0.196073 MAX 0.217563 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.391 MB LDB: ============== END OF LOAD BALANCING =============== 9103.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9103.18 PRESSURE: 2876400 72.6293 -81.2789 43.9725 -81.2788 55.8023 -112.814 43.9728 -112.814 208.2 GPRESSURE: 2876400 112.61 -46.7928 18.4376 -100.941 154.717 -95.3751 61.9135 -99.9142 168.526 PRESSAVG: 2876400 13.3137 -27.6865 38.4274 -27.6864 28.9533 7.66295 38.4275 7.66299 16.8941 GPRESSAVG: 2876400 13.2397 -27.7974 39.0985 -26.4667 28.6414 9.61363 36.4296 5.77004 16.9515 TIMING: 2876400 CPU: 9091.1, 0.00322499/step Wall: 9091.1, 0.00322499/step, 1.90238 hours remaining, 237.621094 MB of memory in use. ENERGY: 2876400 3954.0551 20330.5369 14501.2835 260.3917 -203580.6608 2604.2872 0.0000 0.0000 51937.9956 -109992.1108 298.4884 -161930.1064 -109630.9480 298.3722 112.2106 145.2843 760011.8747 19.7204 19.6109 PRESSURE: 2876600 -224.686 -13.8279 -128.313 -13.8272 -164.705 -93.9973 -128.312 -93.9964 -89.6278 GPRESSURE: 2876600 -107.045 -92.5518 -141.813 89.1116 -265.33 -127.118 -20.3453 104.729 -40.1729 PRESSAVG: 2876600 -39.8968 1.90144 20.7689 1.90137 7.05074 37.0143 20.7689 37.0142 3.87459 GPRESSAVG: 2876600 -37.9044 1.11279 19.7248 0.793819 5.55261 36.1675 21.9438 37.9157 2.81736 TIMING: 2876600 CPU: 9091.73, 0.00316608/step Wall: 9091.73, 0.00316608/step, 1.86746 hours remaining, 237.824219 MB of memory in use. ENERGY: 2876600 3984.7774 20468.4457 14553.0705 250.5026 -203447.5773 2441.8414 0.0000 0.0000 51697.0248 -110051.9149 297.1035 -161748.9397 -109701.5155 297.8628 -159.6730 -137.5160 760697.7355 -9.6572 -9.8448 PRESSURE: 2876800 52.2874 135.993 11.267 135.993 99.923 72.9483 11.2659 72.948 156.387 GPRESSURE: 2876800 81.0465 113.267 -12.8648 237.981 200.725 86.8479 36.6925 86.013 98.8461 PRESSAVG: 2876800 40.8757 -29.0146 26.0135 -29.0146 -21.688 66.9904 26.0134 66.9904 10.6171 GPRESSAVG: 2876800 39.8479 -27.3897 26.2343 -27.3911 -20.6193 66.9388 26.6049 67.2563 10.6205 TIMING: 2876800 CPU: 9092.37, 0.0031674/step Wall: 9092.37, 0.0031674/step, 1.86806 hours remaining, 237.824219 MB of memory in use. ENERGY: 2876800 3969.0736 20500.2594 14504.9673 251.1796 -203607.4383 2652.5958 0.0000 0.0000 51800.3012 -109929.0615 297.6970 -161729.3627 -109573.0284 298.3955 102.8657 126.8726 761193.2754 9.9349 9.9497 PRESSURE: 2877000 -141.68 -55.7212 165.809 -55.7202 48.3518 160.465 165.808 160.465 -231.208 GPRESSURE: 2877000 -57.3093 -119.438 159.32 -12.7669 34.3364 226.056 234.123 202.033 -226.314 PRESSAVG: 2877000 21.4297 15.3959 47.2941 15.3959 -34.1826 6.56848 47.2941 6.56853 -4.68675 GPRESSAVG: 2877000 19.2626 13.4416 47.8288 13.9128 -33.4902 7.20542 46.9936 5.54685 -3.38794 TIMING: 2877000 CPU: 9093, 0.00315895/step Wall: 9093, 0.00315895/step, 1.8629 hours remaining, 237.824219 MB of memory in use. ENERGY: 2877000 4015.8178 20450.4793 14490.2906 238.4511 -203753.8953 2642.3615 0.0000 0.0000 52043.8071 -109872.6880 299.0965 -161916.4950 -109515.2302 298.4150 -108.1786 -83.0956 761304.0073 -5.8132 -5.8719 PRESSURE: 2877200 60.9648 117.934 -23.8277 117.934 -244.364 32.8268 -23.8279 32.826 -55.7613 GPRESSURE: 2877200 53.0656 11.4656 -75.672 130.177 -233.205 24.6516 11.8068 -1.44151 23.5946 PRESSAVG: 2877200 62.3089 20.904 -49.6654 20.904 -22.339 -5.35239 -49.6654 -5.35242 15.2979 GPRESSAVG: 2877200 64.4453 22.9189 -50.8324 21.4993 -23.1137 -5.17324 -48.6556 -7.03836 14.4182 TIMING: 2877200 CPU: 9093.63, 0.00315127/step Wall: 9093.63, 0.00315126/step, 1.8582 hours remaining, 237.824219 MB of memory in use. ENERGY: 2877200 3941.3393 20708.6335 14509.5374 272.2279 -203407.6134 2385.1957 0.0000 0.0000 51990.2487 -109600.4309 298.7887 -161590.6796 -109233.1727 299.0087 -79.7203 -52.1817 760485.5587 18.4226 18.5833 PRESSURE: 2877400 -46.0644 44.2371 32.4047 44.2372 -138.082 -220.791 32.4038 -220.791 -170.304 GPRESSURE: 2877400 30.1603 174.557 32.5729 62.7675 -33.2697 -266.582 -72.0687 -208.755 -257.274 PRESSAVG: 2877400 -36.3749 -10.769 -9.54427 -10.769 44.8323 -28.6417 -9.54423 -28.6417 13.353 GPRESSAVG: 2877400 -36.2567 -11.4469 -9.18728 -11.8765 44.006 -29.7308 -8.6187 -26.2592 14.0605 TIMING: 2877400 CPU: 9094.26, 0.00315421/step Wall: 9094.26, 0.00315421/step, 1.85976 hours remaining, 237.824219 MB of memory in use. ENERGY: 2877400 4042.7554 20590.1291 14485.2528 247.4175 -203545.3575 2604.7019 0.0000 0.0000 51939.6631 -109635.4377 298.4980 -161575.1008 -109269.6516 299.3249 -118.1503 -86.7944 760874.5531 7.2701 7.2699 PRESSURE: 2877600 -384.82 107.662 -121.426 107.662 -314.606 -74.6461 -121.426 -74.6463 -81.6082 GPRESSURE: 2877600 -311.865 101.008 -148.917 133.646 -279.727 -108.81 -47.1159 -98.6231 -110.807 PRESSAVG: 2877600 -47.6225 24.8213 -25.0151 24.8214 45.4875 38.752 -25.0151 38.7519 4.20517 GPRESSAVG: 2877600 -48.3721 25.4766 -25.4048 25.5114 46.1768 38.712 -26.4903 40.136 3.44243 TIMING: 2877600 CPU: 9094.89, 0.00315472/step Wall: 9094.89, 0.00315472/step, 1.85988 hours remaining, 237.824219 MB of memory in use. ENERGY: 2877600 3892.7374 20665.3398 14467.3386 258.3595 -203252.1323 2359.0654 0.0000 0.0000 52001.8702 -109607.4214 298.8555 -161609.2916 -109248.0000 299.1768 -260.3448 -234.1327 760910.6724 0.6900 0.4157 PRESSURE: 2877800 246.559 -9.01063 -160.651 -9.01099 219.68 161.624 -160.651 161.625 -20.593 GPRESSURE: 2877800 213.702 53.7581 -154.724 -19.8313 204.643 145.409 -188.006 127.283 98.434 PRESSAVG: 2877800 64.3732 11.7095 17.8785 11.7095 -42.7219 32.3938 17.8785 32.3939 4.64333 GPRESSAVG: 2877800 62.9317 9.10138 18.4937 12.1535 -43.0459 32.0316 17.0504 30.6879 6.22764 TIMING: 2877800 CPU: 9095.52, 0.00314711/step Wall: 9095.52, 0.00314711/step, 1.85522 hours remaining, 237.824219 MB of memory in use. ENERGY: 2877800 3989.0232 20508.6428 14464.7875 244.0364 -203495.8911 2712.3653 0.0000 0.0000 51958.6662 -109618.3697 298.6072 -161577.0359 -109251.1495 298.9307 148.5486 172.2598 760814.3581 8.7649 8.7045 PRESSURE: 2878000 385.617 109.301 -78.6928 109.301 -433.531 -97.5933 -78.692 -97.5933 13.5929 GPRESSURE: 2878000 334.738 159.99 -77.0894 38.9979 -318.06 -78.8718 35.1294 -2.88826 12.4139 PRESSAVG: 2878000 40.9218 -14.881 8.14563 -14.881 -33.3511 23.1487 8.14561 23.1488 -17.2249 GPRESSAVG: 2878000 41.6596 -12.2768 7.63102 -16.9419 -32.8868 23.6298 7.57085 23.2768 -18.8552 TIMING: 2878000 CPU: 9096.15, 0.00314896/step Wall: 9096.15, 0.00314896/step, 1.85614 hours remaining, 237.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2878000 3960.5554 20675.3088 14530.5616 236.7227 -203551.8926 2684.8556 0.0000 0.0000 52075.9484 -109387.9400 299.2812 -161463.8884 -109032.8695 299.3435 -11.4402 9.6973 761166.1162 -3.2181 -3.3608 PRESSURE: 2878200 159.079 80.8918 -26.3005 80.892 156.713 -81.5628 -26.3003 -81.5626 456.039 GPRESSURE: 2878200 225.605 109.302 68.0281 61.9801 164.011 -12.7963 -55.067 37.5361 448.013 PRESSAVG: 2878200 66.5571 -7.17985 5.17926 -7.17989 -14.7524 30.1979 5.17927 30.1979 10.7563 GPRESSAVG: 2878200 66.3348 -8.82191 5.06435 -6.37933 -14.82 29.527 5.17864 31.6304 11.0094 TIMING: 2878200 CPU: 9096.78, 0.00313508/step Wall: 9096.78, 0.00313508/step, 1.84778 hours remaining, 237.824219 MB of memory in use. ENERGY: 2878200 4006.1835 20442.2762 14555.5124 252.8465 -203721.3180 2879.8667 0.0000 0.0000 52043.2553 -109541.3774 299.0933 -161584.6327 -109188.0658 299.1893 257.2769 279.2095 761280.8231 20.8537 20.8414 PRESSURE: 2878400 24.5714 -78.4103 60.2858 -78.4096 -312.735 260.478 60.2853 260.479 -117.736 GPRESSURE: 2878400 32.4403 -101.313 49.5875 -38.827 -352.722 315.532 84.039 156.691 -4.66098 PRESSAVG: 2878400 44.0174 -46.3152 -25.5786 -46.3152 -52.3814 31.0793 -25.5785 31.0793 -27.5353 GPRESSAVG: 2878400 45.2665 -45.2354 -25.3134 -44.8004 -53.2498 32.2527 -24.7072 31.7175 -27.8256 TIMING: 2878400 CPU: 9097.41, 0.00314364/step Wall: 9097.41, 0.00314364/step, 1.85265 hours remaining, 237.824219 MB of memory in use. ENERGY: 2878400 4051.2058 20644.3899 14508.8422 240.8827 -203397.2702 2571.1585 0.0000 0.0000 52004.1086 -109376.6824 298.8683 -161380.7911 -109015.0540 299.0198 -135.2999 -108.3143 762087.5129 -11.9664 -11.9363 PRESSURE: 2878600 -261.067 -18.5967 -6.42178 -18.5961 -96.3837 178.5 -6.4215 178.501 242.166 GPRESSURE: 2878600 -147.224 103.463 -41.6229 -36.1154 -108.83 136.818 -22.847 180.805 224.461 PRESSAVG: 2878600 31.9671 -36.6023 -59.5426 -36.6023 -17.3521 50.2288 -59.5426 50.2289 -5.54313 GPRESSAVG: 2878600 32.5523 -37.6426 -60.4496 -37.9191 -18.3194 50.1727 -58.1615 46.7015 -4.91223 TIMING: 2878600 CPU: 9098.03, 0.00312863/step Wall: 9098.03, 0.00312863/step, 1.84363 hours remaining, 237.824219 MB of memory in use. ENERGY: 2878600 4020.4083 20575.8338 14556.2547 268.0915 -203148.0643 2404.9688 0.0000 0.0000 51884.9693 -109437.5381 298.1836 -161322.5074 -109076.5619 299.1301 -38.4284 -10.5312 761250.9991 3.0239 3.1069 PRESSURE: 2878800 83.3636 -211.681 204.572 -211.68 167.338 -141.429 204.571 -141.43 221.22 GPRESSURE: 2878800 161.361 -298.273 192.539 -101.722 179.293 -206.281 284.363 -120.768 202.479 PRESSAVG: 2878800 -59.2738 -10.4635 6.43725 -10.4635 36.2236 17.627 6.43725 17.627 1.97839 GPRESSAVG: 2878800 -60.9612 -11.37 6.88641 -9.53563 38.4338 18.009 4.41572 19.3384 1.38332 TIMING: 2878800 CPU: 9098.66, 0.00313321/step Wall: 9098.66, 0.00313321/step, 1.84616 hours remaining, 237.824219 MB of memory in use. ENERGY: 2878800 4018.3935 20535.3984 14537.5764 242.9247 -203763.1847 2927.9405 0.0000 0.0000 52099.9779 -109400.9735 299.4193 -161500.9513 -109039.1481 299.5148 157.3070 181.0447 760285.8395 -7.0239 -7.0480 PRESSURE: 2879000 13.9276 14.5135 -87.7777 14.5141 55.1812 -10.6008 -87.778 -10.6019 73.4703 GPRESSURE: 2879000 135.16 28.0916 -47.0496 107.162 39.5741 -103.88 -144.384 102.577 36.1147 PRESSAVG: 2879000 -26.3132 -3.74063 -71.967 -3.74061 19.7152 13.5868 -71.9671 13.5868 8.83129 GPRESSAVG: 2879000 -25.914 -4.50909 -70.4798 -4.86526 19.8635 11.5433 -72.2137 14.5891 8.48345 TIMING: 2879000 CPU: 9099.29, 0.00314029/step Wall: 9099.29, 0.00314029/step, 1.85015 hours remaining, 237.824219 MB of memory in use. ENERGY: 2879000 4006.1633 20712.1807 14473.1896 269.0847 -203651.7243 2584.7504 0.0000 0.0000 52159.4247 -109446.9309 299.7609 -161606.3557 -109095.3459 299.4572 47.5264 70.2830 760230.2427 0.7444 0.8110 PRESSURE: 2879200 -262.467 -274.482 101.657 -274.482 61.5326 275.352 101.657 275.353 -96.756 GPRESSURE: 2879200 -182.88 -170.43 20.56 -180.028 170.92 233.827 82.3424 132.482 -169.013 PRESSAVG: 2879200 26.4032 -31.397 -78.2922 -31.397 -27.306 13.3689 -78.2923 13.3689 -3.47628 GPRESSAVG: 2879200 26.3988 -29.0341 -79.5113 -31.8327 -28.2239 14.7434 -79.1296 12.697 -2.6612 TIMING: 2879200 CPU: 9099.91, 0.0031199/step Wall: 9099.91, 0.0031199/step, 1.83797 hours remaining, 237.824219 MB of memory in use. ENERGY: 2879200 3954.2227 20332.1123 14479.6810 246.3065 -203415.3262 2519.2744 0.0000 0.0000 52662.6937 -109221.0356 302.6532 -161883.7293 -108841.8127 300.1288 -99.2301 -60.3244 759872.6074 -1.4597 -1.4954 PRESSURE: 2879400 -77.011 113.583 11.0742 113.584 52.824 25.8651 11.074 25.865 58.4278 GPRESSURE: 2879400 -56.3379 51.0053 -13.8031 61.4847 45.3664 -12.6458 -79.8921 -106.959 124.83 PRESSAVG: 2879400 -29.3493 -41.2451 -62.9557 -41.245 65.16 -6.62418 -62.9557 -6.6243 -9.01955 GPRESSAVG: 2879400 -29.781 -42.5916 -62.8769 -42.151 66.0605 -6.02558 -62.1981 -8.80262 -9.2814 TIMING: 2879400 CPU: 9100.54, 0.00312255/step Wall: 9100.54, 0.00312255/step, 1.83936 hours remaining, 237.824219 MB of memory in use. ENERGY: 2879400 3980.7615 20646.8825 14492.2906 259.6872 -203181.8750 2527.9364 0.0000 0.0000 52185.1502 -109089.1667 299.9088 -161274.3169 -108723.2544 300.5363 11.4136 37.9529 759056.0898 8.9304 8.9994 PRESSURE: 2879600 76.03 45.4104 -104.434 45.41 -219.162 -60.7638 -104.433 -60.7634 -520.558 GPRESSURE: 2879600 49.2959 89.1526 -68.4621 -72.9998 -111.311 -71.3015 -171.241 -59.398 -506 PRESSAVG: 2879600 -10.9372 13.908 -32.1287 13.908 28.9711 21.266 -32.1287 21.2661 -5.71584 GPRESSAVG: 2879600 -11.686 15.8847 -32.7421 15.957 28.9681 20.04 -31.9909 23.9983 -5.18149 TIMING: 2879600 CPU: 9101.16, 0.00314165/step Wall: 9101.16, 0.00314165/step, 1.85043 hours remaining, 237.824219 MB of memory in use. ENERGY: 2879600 3973.1545 20635.0844 14478.3065 245.5008 -203037.4581 2264.6087 0.0000 0.0000 52478.8152 -108961.9880 301.5965 -161440.8032 -108595.9480 300.7751 -221.2300 -189.3383 760219.3741 4.1060 4.0335 PRESSURE: 2879800 304.658 -76.6997 132.738 -76.7003 5.54791 -330.783 132.738 -330.783 311.63 GPRESSURE: 2879800 284.637 -145.212 211.963 -103.048 83.4325 -256.752 220.076 -255.982 346.752 PRESSAVG: 2879800 -8.64931 -19.2022 -25.853 -19.2022 71.3321 18.8509 -25.8529 18.8509 -7.56622 GPRESSAVG: 2879800 -8.4921 -20.165 -25.3462 -20.3058 71.3092 20.3301 -24.9349 16.6459 -7.45083 TIMING: 2879800 CPU: 9101.79, 0.00314136/step Wall: 9101.79, 0.00314136/step, 1.85009 hours remaining, 237.824219 MB of memory in use. ENERGY: 2879800 3883.4856 20564.9288 14540.4722 279.9195 -203472.8095 2701.3287 0.0000 0.0000 52421.1881 -109081.4866 301.2653 -161502.6747 -108707.0701 300.6647 207.2787 238.2736 760145.4843 18.3722 18.4554 PRESSURE: 2880000 -71.4593 -85.4615 -70.3572 -85.4622 137.852 -159.92 -70.3576 -159.92 -200.399 GPRESSURE: 2880000 -54.3406 -1.04382 -26.9102 -42.7007 152.844 -130.547 -145.246 -95.0251 -138.553 PRESSAVG: 2880000 -45.7534 55.3175 -17.8511 55.3175 30.9355 38.2356 -17.8511 38.2356 21.352 GPRESSAVG: 2880000 -46.1392 55.0536 -18.3752 55.9756 30.7229 38.1443 -16.3836 39.1507 21.8492 TIMING: 2880000 CPU: 9102.42, 0.00313614/step Wall: 9102.42, 0.00313614/step, 1.84684 hours remaining, 237.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2880000 3989.1909 20722.9227 14399.9986 241.6229 -203171.0683 2513.3861 0.0000 0.0000 52117.7385 -109186.2086 299.5214 -161303.9471 -108833.3015 300.3429 -44.6685 -13.3499 760537.8375 2.1780 2.1443 PRESSURE: 2880200 -56.7107 91.3069 -209.085 91.3069 -234.348 151.63 -209.087 151.63 229.484 GPRESSURE: 2880200 -72.2868 -80.4675 -248.817 43.3578 -92.5511 157.025 -74.1616 74.0256 184.382 PRESSAVG: 2880200 33.8967 -10.211 -1.16428 -10.2109 -13.726 23.0412 -1.16431 23.0412 10.1395 GPRESSAVG: 2880200 33.2963 -10.9733 -1.57493 -11.4021 -12.6364 22.5839 -3.05091 24.792 9.11505 TIMING: 2880200 CPU: 9103.05, 0.00316792/step Wall: 9103.05, 0.00316792/step, 1.86538 hours remaining, 237.824219 MB of memory in use. ENERGY: 2880200 4015.3352 20730.7020 14491.4784 234.5121 -202999.1222 2393.0752 0.0000 0.0000 52212.8954 -108921.1239 300.0682 -161134.0193 -108570.4262 300.7299 -20.5249 6.5146 760035.4692 10.1034 9.9250 LDB: ============= START OF LOAD BALANCING ============== 9115.45 LDB: ============== END OF LOAD BALANCING =============== 9115.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9115.46 LDB: ============= START OF LOAD BALANCING ============== 9115.77 LDB: Largest compute 7077 load 0.032842 is 16.7% of average load 0.196091 LDB: Average compute 0.004382 is 2.2% of average load 0.196091 LDB: TIME 9115.77 LOAD: AVG 0.196091 MAX 0.21507 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.531 MB LDB: TIME 9115.78 LOAD: AVG 0.196091 MAX 0.21507 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.531 MB LDB: TIME 9115.78 LOAD: AVG 0.196091 MAX 0.21507 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.531 MB LDB: ============== END OF LOAD BALANCING =============== 9115.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9115.78 PRESSURE: 2880400 -107.618 136.605 26.7207 136.605 174.812 29.6037 26.7208 29.603 -63.8009 GPRESSURE: 2880400 -34.3988 143.357 -18.519 43.3715 138.507 -17.0168 -22.3728 93.7587 -14.749 PRESSAVG: 2880400 -19.3802 35.3169 -23.6582 35.3169 -14.2269 9.30323 -23.6581 9.30328 -8.69328 GPRESSAVG: 2880400 -18.4739 34.9416 -21.9705 35.8077 -15.6506 10.3644 -23.6871 8.53008 -8.02416 TIMING: 2880400 CPU: 9103.7, 0.00323389/step Wall: 9103.7, 0.00323389/step, 1.90404 hours remaining, 238.613281 MB of memory in use. ENERGY: 2880400 4089.0166 20717.2381 14437.6079 242.6628 -202828.7115 2376.2226 0.0000 0.0000 52042.5286 -108923.4348 299.0891 -160965.9634 -108560.0125 300.7671 1.1308 29.7864 762161.7837 -14.1001 -14.0495 PRESSURE: 2880600 -286.909 184.351 -323.451 184.351 -73.9697 -59.3157 -323.451 -59.3155 -83.1966 GPRESSURE: 2880600 -224.14 215.998 -278.642 145.587 -36.5412 -94.2082 -319.404 32.042 -90.5817 PRESSAVG: 2880600 -14.9318 46.5424 -16.5557 46.5424 -31.1392 -16.6337 -16.5559 -16.6338 -21.2628 GPRESSAVG: 2880600 -13.9584 48.3223 -17.566 47.2547 -31.0188 -17.1849 -16.0462 -17.0455 -22.5244 TIMING: 2880600 CPU: 9104.33, 0.00316534/step Wall: 9104.33, 0.00316534/step, 1.86351 hours remaining, 238.613281 MB of memory in use. ENERGY: 2880600 3951.6119 20610.3590 14418.8368 257.1065 -203463.9247 2707.9259 0.0000 0.0000 52290.0613 -109228.0233 300.5117 -161518.0846 -108871.8299 300.1443 -148.0252 -117.0877 760953.1597 -22.4446 -22.5005 PRESSURE: 2880800 -234.478 214.887 125.968 214.888 -91.0951 -31.1563 125.969 -31.1571 -18.287 GPRESSURE: 2880800 -242.869 132.527 83.0404 156.806 -22.4257 36.6485 173.569 -31.0759 18.8399 PRESSAVG: 2880800 -69.7166 11.8682 35.7332 11.8683 81.8642 2.47349 35.7331 2.47341 18.3583 GPRESSAVG: 2880800 -70.6172 9.27163 35.4521 15.2071 82.1551 1.88766 35.5383 2.82453 19.0157 TIMING: 2880800 CPU: 9104.96, 0.00314381/step Wall: 9104.96, 0.00314381/step, 1.85066 hours remaining, 238.613281 MB of memory in use. ENERGY: 2880800 3968.5526 20712.9191 14495.4067 234.7338 -203064.8889 2432.2859 0.0000 0.0000 52289.0218 -108931.9690 300.5057 -161220.9908 -108567.6781 300.2593 -114.6199 -82.1515 760988.2951 10.1687 10.1846 PRESSURE: 2881000 -241.339 -152.517 40.6285 -152.517 -133.599 -338.094 40.6286 -338.093 -124.085 GPRESSURE: 2881000 -133.921 -137.731 18.4706 -23.9609 -111.554 -330.679 39.0928 -243.212 -181.958 PRESSAVG: 2881000 -33.5926 34.5423 4.94786 34.5423 66.9486 47.9128 4.94781 47.9128 12.9367 GPRESSAVG: 2881000 -33.597 36.4136 4.5825 31.4176 66.4793 45.9497 6.75477 47.403 13.1857 TIMING: 2881000 CPU: 9105.59, 0.00314412/step Wall: 9105.59, 0.00314412/step, 1.85066 hours remaining, 238.613281 MB of memory in use. ENERGY: 2881000 3974.1587 20722.2379 14500.1354 247.1106 -203237.6900 2347.1224 0.0000 0.0000 52245.5956 -109201.3293 300.2562 -161446.9249 -108836.4595 300.2303 -166.3408 -142.4777 760863.5543 15.4309 15.3560 PRESSURE: 2881200 58.3054 -112.045 78.8651 -112.046 116.906 -52.2786 78.8666 -52.2778 -396.55 GPRESSURE: 2881200 -15.3775 69.425 161.915 -119.905 123.592 -119.416 -30.6266 -108.293 -246.312 PRESSAVG: 2881200 -33.2898 16.6536 64.8374 16.6536 35.3923 -10.8321 64.8374 -10.8321 -24.2142 GPRESSAVG: 2881200 -33.9232 18.4412 64.8558 17.1856 36.192 -9.4454 63.0986 -11.2196 -24.4115 TIMING: 2881200 CPU: 9106.22, 0.00314646/step Wall: 9106.22, 0.00314646/step, 1.85187 hours remaining, 238.613281 MB of memory in use. ENERGY: 2881200 4063.9352 20587.7312 14522.0492 254.3897 -203064.1570 2280.5282 0.0000 0.0000 52087.5905 -109267.9329 299.3481 -161355.5235 -108905.5329 299.4766 -73.7794 -46.0326 761441.6074 -7.3705 -7.3809 PRESSURE: 2881400 -274.27 -27.0204 -34.2521 -27.0201 -120.557 48.6539 -34.2519 48.6534 53.7197 GPRESSURE: 2881400 -290.314 -79.3923 -20.5432 -94.1437 7.87355 40.4949 -89.8229 25.7435 19.8717 PRESSAVG: 2881400 -24.8619 -21.024 -11.2294 -21.024 64.1492 -68.2062 -11.2294 -68.2062 23.1501 GPRESSAVG: 2881400 -25.0982 -23.1533 -10.8147 -21.9964 64.2395 -67.2061 -9.90886 -68.2363 23.9142 TIMING: 2881400 CPU: 9106.85, 0.0031462/step Wall: 9106.85, 0.0031462/step, 1.85154 hours remaining, 238.613281 MB of memory in use. ENERGY: 2881400 4044.6368 20481.2703 14394.0662 243.9735 -203394.5860 2415.7408 0.0000 0.0000 52526.1993 -109288.6990 301.8688 -161814.8984 -108921.9454 299.7680 -113.7024 -87.5230 761248.0133 20.8124 21.0185 PRESSURE: 2881600 -220.682 126.615 240.834 126.615 113.079 104.475 240.834 104.475 12.1685 GPRESSURE: 2881600 -101.404 170.778 267.145 176.952 56.8299 121.975 281.029 115.329 39.8054 PRESSAVG: 2881600 -41.4483 33.5837 9.99268 33.5837 48.3476 -3.85541 9.9927 -3.85542 -16.4603 GPRESSAVG: 2881600 -40.8277 34.0918 10.0616 33.6579 48.4685 -6.41532 9.7775 -4.01225 -17.3031 TIMING: 2881600 CPU: 9107.48, 0.00313441/step Wall: 9107.48, 0.00313441/step, 1.84442 hours remaining, 238.613281 MB of memory in use. ENERGY: 2881600 4039.7537 20724.6314 14492.3620 230.3876 -202967.8020 2236.4740 0.0000 0.0000 51950.2821 -109293.9112 298.5590 -161244.1933 -108939.7081 299.7067 -31.8117 -1.5895 759541.5721 -3.1870 -3.2208 PRESSURE: 2881800 -198.215 -33.4681 10.7592 -33.468 -152.756 30.9242 10.7578 30.9241 166.474 GPRESSURE: 2881800 -186.886 -163.337 36.2453 96.3144 -34.098 17.0458 -45.2599 81.5128 105.403 PRESSAVG: 2881800 -28.1504 -10.601 72.3323 -10.6009 -8.49086 52.5859 72.3323 52.586 -17.3976 GPRESSAVG: 2881800 -28.6145 -10.8445 72.5424 -9.88797 -6.86749 53.5621 72.0612 52.0572 -18.0567 TIMING: 2881800 CPU: 9108.11, 0.00315132/step Wall: 9108.11, 0.00315132/step, 1.8542 hours remaining, 238.613281 MB of memory in use. ENERGY: 2881800 4050.8832 20561.8805 14544.6825 249.4313 -203113.1962 2432.4357 0.0000 0.0000 52042.8941 -109230.9889 299.0912 -161273.8830 -108876.8974 299.8076 -61.4991 -38.5273 761426.6653 -18.0129 -17.8462 PRESSURE: 2882000 -42.0251 -14.9471 -40.5123 -14.9477 -227.413 -19.3256 -40.5118 -19.325 -306.526 GPRESSURE: 2882000 30.5707 -14.0881 -81.3299 -17.4005 -184.31 -39.7252 -56.3022 -41.3308 -347.949 PRESSAVG: 2882000 36.8754 -19.7927 16.1094 -19.7927 -50.5593 -14.2694 16.1095 -14.2693 0.223392 GPRESSAVG: 2882000 37.5751 -19.3355 14.4416 -19.2477 -51.7803 -13.3334 17.0308 -13.3014 0.631657 TIMING: 2882000 CPU: 9108.74, 0.00315354/step Wall: 9108.74, 0.00315353/step, 1.85533 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2882000 4015.5411 20605.2363 14496.5743 243.1279 -203456.6179 2534.9512 0.0000 0.0000 52280.9593 -109280.2278 300.4594 -161561.1871 -108920.2926 299.8992 -191.9880 -167.2295 761552.0598 -4.4869 -4.5245 PRESSURE: 2882200 81.185 -90.1667 -60.3228 -90.1666 -190.932 439.522 -60.3239 439.523 -423.482 GPRESSURE: 2882200 88.7008 -51.285 -50.8487 -82.8622 -166.629 469.136 -57.4267 400.697 -381.83 PRESSAVG: 2882200 61.0375 -0.71512 25.9556 -0.715154 -5.64833 27.7615 25.9556 27.7616 16.829 GPRESSAVG: 2882200 60.9275 -1.01572 28.8137 -2.54179 -5.62837 27.0807 24.0385 27.3787 17.5149 TIMING: 2882200 CPU: 9109.37, 0.00316835/step Wall: 9109.37, 0.00316835/step, 1.86387 hours remaining, 238.613281 MB of memory in use. ENERGY: 2882200 4051.5667 20496.4487 14481.7770 233.2843 -202898.5574 2185.0739 0.0000 0.0000 52058.0018 -109392.4050 299.1781 -161450.4068 -109025.7470 299.3914 -177.7430 -153.2528 762735.9447 24.0727 24.2713 PRESSURE: 2882400 255.29 295.969 -22.7886 295.968 255.793 30.8537 -22.7888 30.8521 -164.215 GPRESSURE: 2882400 329.069 203.344 -27.0898 172.881 248.799 29.902 -14.4946 22.3413 -145.074 PRESSAVG: 2882400 64.375 14.3871 28.3933 14.3871 -65.0924 62.6767 28.3933 62.6766 0.0867459 GPRESSAVG: 2882400 64.1017 13.9287 26.9613 14.8798 -64.7154 63.7741 29.9347 61.8751 -0.162531 TIMING: 2882400 CPU: 9110, 0.00313897/step Wall: 9110, 0.00313897/step, 1.84641 hours remaining, 238.613281 MB of memory in use. ENERGY: 2882400 4032.2977 20650.3453 14449.6312 241.9554 -203596.9182 2728.9572 0.0000 0.0000 52245.2462 -109248.4852 300.2541 -161493.7314 -108885.3993 299.8896 115.6227 144.2646 761454.1696 -0.2102 -0.2587 PRESSURE: 2882600 122.036 -145.772 60.6819 -145.772 104.476 -168.343 60.6824 -168.342 103.878 GPRESSURE: 2882600 154.42 -56.3403 6.99247 -207.731 153.77 -78.9907 51.9503 -170.994 126.027 PRESSAVG: 2882600 3.63342 -17.4027 19.8847 -17.4026 -6.96198 24.3129 19.8847 24.3129 -11.5989 GPRESSAVG: 2882600 5.03533 -16.9032 19.8155 -17.2331 -7.90253 24.551 20.5828 24.6926 -11.1603 TIMING: 2882600 CPU: 9110.63, 0.00314278/step Wall: 9110.63, 0.00314278/step, 1.84848 hours remaining, 238.613281 MB of memory in use. ENERGY: 2882600 4016.9496 20657.9458 14438.2194 243.6238 -203484.1253 2598.5873 0.0000 0.0000 52152.0960 -109376.7035 299.7188 -161528.7995 -109020.2132 299.7762 110.1300 144.7390 761177.8200 -4.9758 -4.6758 PRESSURE: 2882800 68.1861 -159.964 -24.0109 -159.963 208.385 194.735 -24.0107 194.735 99.4009 GPRESSURE: 2882800 74.1609 -96.2562 -109.134 -107.583 262.563 170.369 49.3 226.761 133.823 PRESSAVG: 2882800 -61.2556 -29.5754 32.3052 -29.5754 43.0927 -26.1506 32.3053 -26.1505 14.0202 GPRESSAVG: 2882800 -61.5733 -29.2279 31.3331 -29.84 43.4795 -26.8214 32.0046 -26.4142 13.917 TIMING: 2882800 CPU: 9111.26, 0.00314584/step Wall: 9111.26, 0.00314584/step, 1.8501 hours remaining, 238.613281 MB of memory in use. ENERGY: 2882800 4070.8086 20410.0597 14461.9521 233.7652 -203169.1971 2491.2852 0.0000 0.0000 52083.5376 -109417.7889 299.3248 -161501.3265 -109051.5024 299.2873 125.3240 156.8487 760322.5902 -1.3809 -1.3923 PRESSURE: 2883000 265.875 -105.125 37.8054 -105.125 166.305 234.358 37.8043 234.359 417.002 GPRESSURE: 2883000 318.274 -17.2591 102.095 22.8051 204.437 187.993 33.3658 178.014 416.222 PRESSAVG: 2883000 72.9898 -34.1907 55.7917 -34.1907 -31.5059 27.9622 55.7917 27.9622 -9.97474 GPRESSAVG: 2883000 72.2378 -34.8917 56.945 -33.4515 -30.536 27.9169 53.1209 27.4963 -10.18 TIMING: 2883000 CPU: 9111.89, 0.00315281/step Wall: 9111.89, 0.00315281/step, 1.85403 hours remaining, 238.613281 MB of memory in use. ENERGY: 2883000 3937.9265 20425.7268 14476.4365 226.2272 -203274.2165 2485.8206 0.0000 0.0000 52158.5728 -109563.5061 299.7560 -161722.0789 -109200.2080 299.1672 283.0606 312.9775 760307.1292 10.5031 10.5073 PRESSURE: 2883200 218.762 -66.5715 51.7633 -66.572 -14.1803 -77.695 51.763 -77.6939 -305.986 GPRESSURE: 2883200 153.974 -89.2846 0.620195 0.346053 96.4029 -36.9726 10.57 -186.722 -248.35 PRESSAVG: 2883200 46.6997 -41.7784 -2.95372 -41.7784 -52.8079 40.9512 -2.95371 40.9513 20.2588 GPRESSAVG: 2883200 47.6461 -42.8038 -3.0238 -42.2888 -53.2409 41.5618 -0.837709 41.3461 20.413 TIMING: 2883200 CPU: 9112.52, 0.00314485/step Wall: 9112.52, 0.00314485/step, 1.84917 hours remaining, 238.613281 MB of memory in use. ENERGY: 2883200 3929.6687 20482.2037 14529.7041 242.5019 -202853.1329 2128.1829 0.0000 0.0000 51978.2070 -109562.6645 298.7195 -161540.8716 -109200.8190 299.1218 -33.8015 0.6757 761643.6788 4.7169 4.9394 PRESSURE: 2883400 -445.137 -26.5793 -127.159 -26.5791 -264.325 -182.781 -127.158 -182.781 -527.083 GPRESSURE: 2883400 -361.694 -7.38915 -70.93 -126.727 -258.854 -78.1271 -176.746 -123.816 -520.891 PRESSAVG: 2883400 -39.6799 -54.5907 5.70863 -54.5907 60.569 -0.0359458 5.70866 -0.0359131 -4.48663 GPRESSAVG: 2883400 -39.2966 -53.8566 6.97492 -54.2388 60.0101 -1.84203 2.81379 0.580493 -4.53245 TIMING: 2883400 CPU: 9113.15, 0.00316071/step Wall: 9113.15, 0.00316071/step, 1.85832 hours remaining, 238.613281 MB of memory in use. ENERGY: 2883400 4057.9883 20391.1566 14518.0999 258.2487 -203345.5512 2460.3342 0.0000 0.0000 51999.0177 -109660.7058 298.8391 -161659.7235 -109278.2502 298.5588 -412.1817 -380.4794 761496.4470 5.4675 5.3937 PRESSURE: 2883600 -263.368 -366.238 9.0776 -366.237 -292.968 -48.3088 9.07744 -48.3096 -71.0978 GPRESSURE: 2883600 -255.266 -154.767 75.9671 -249.125 -294.236 -114.483 -62.6513 32.6416 -20.4582 PRESSAVG: 2883600 -53.4272 -46.9492 3.12297 -46.9492 26.6824 -2.9037 3.12297 -2.90362 8.41534 GPRESSAVG: 2883600 -54.3676 -45.0189 3.03057 -47.3702 25.7442 -1.45619 6.26805 -4.64116 9.77003 TIMING: 2883600 CPU: 9113.78, 0.00314952/step Wall: 9113.78, 0.00314952/step, 1.85157 hours remaining, 238.613281 MB of memory in use. ENERGY: 2883600 4015.9585 20527.1465 14460.3827 236.9066 -203156.6475 2304.1366 0.0000 0.0000 52087.6047 -109524.5119 299.3482 -161612.1166 -109156.2524 299.5525 -209.1447 -189.9868 761408.6681 -6.1098 -6.2845 PRESSURE: 2883800 213.454 -271.559 -247.596 -271.559 246.256 -168.518 -247.595 -168.518 173.335 GPRESSURE: 2883800 248.818 -295.209 -211.175 -324.549 212.569 -102.063 -185.615 -232.809 239.482 PRESSAVG: 2883800 -2.02534 -64.2279 -17.0645 -64.2279 -22.3221 -13.8437 -17.0645 -13.8437 -1.28857 GPRESSAVG: 2883800 -1.68856 -66.1595 -19.4089 -63.9384 -21.5469 -14.1239 -18.5894 -12.7595 -2.39993 TIMING: 2883800 CPU: 9114.41, 0.00315375/step Wall: 9114.41, 0.00315375/step, 1.85388 hours remaining, 238.613281 MB of memory in use. ENERGY: 2883800 3977.1570 20527.0038 14539.2410 237.1195 -203703.4576 2927.7604 0.0000 0.0000 51814.0772 -109681.0988 297.7762 -161495.1760 -109331.6775 299.0103 211.0153 233.6232 761656.8736 -8.5453 -8.5451 PRESSURE: 2884000 -157.68 -143.221 106.568 -143.22 109.207 215.944 106.568 215.944 239.838 GPRESSURE: 2884000 -84.6776 -71.5778 80.6958 -144.639 152.054 212.163 68.2713 183.171 196.638 PRESSAVG: 2884000 -22.8534 -48.0262 -54.6764 -48.0262 41.5297 24.3265 -54.6764 24.3265 6.03463 GPRESSAVG: 2884000 -22.6471 -48.6987 -54.7223 -47.0671 42.5287 24.3215 -55.5488 24.3938 4.91337 TIMING: 2884000 CPU: 9115.04, 0.00315167/step Wall: 9115.04, 0.00315167/step, 1.85248 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2884000 3996.6432 20386.9151 14474.8668 240.0334 -203356.7021 2527.2440 0.0000 0.0000 51898.8807 -109832.1188 298.2636 -161730.9995 -109470.0540 298.7404 63.7884 88.0046 760111.3947 8.2370 8.2650 PRESSURE: 2884200 79.3146 -20.6751 20.4534 -20.675 -98.204 182.208 20.4536 182.208 327.366 GPRESSURE: 2884200 44.888 -57.8911 94.2573 -40.5866 -68.7765 135.175 -14.5846 268.448 396.292 PRESSAVG: 2884200 -11.1703 -37.0971 20.132 -37.0971 21.5687 6.00476 20.1319 6.00487 22.4573 GPRESSAVG: 2884200 -12.0218 -36.6564 20.7619 -37.3063 21.0417 5.39855 20.1786 6.96069 23.5793 TIMING: 2884200 CPU: 9115.67, 0.00314867/step Wall: 9115.67, 0.00314867/step, 1.85054 hours remaining, 238.613281 MB of memory in use. ENERGY: 2884200 3909.0409 20478.1320 14496.3470 246.6865 -203813.4801 2826.3558 0.0000 0.0000 51996.7712 -109860.1466 298.8262 -161856.9178 -109486.7151 298.9409 102.8254 124.1346 760290.1494 10.9519 10.8664 LDB: ============= START OF LOAD BALANCING ============== 9128.06 LDB: ============== END OF LOAD BALANCING =============== 9128.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9128.07 LDB: ============= START OF LOAD BALANCING ============== 9128.38 LDB: Largest compute 7025 load 0.033561 is 17.1% of average load 0.195944 LDB: Average compute 0.004399 is 2.2% of average load 0.195944 LDB: TIME 9128.39 LOAD: AVG 0.195944 MAX 0.218282 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 9128.39 LOAD: AVG 0.195944 MAX 0.218282 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 9128.39 LOAD: AVG 0.195944 MAX 0.218282 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 9128.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9128.39 PRESSURE: 2884400 -528.007 -164.417 -104.717 -164.417 -94.8791 75.9456 -104.717 75.9461 158.935 GPRESSURE: 2884400 -391.329 -47.2992 -142.825 -161.893 -117.959 55.1959 -76.5784 196.461 125.034 PRESSAVG: 2884400 45.8716 -77.2972 -13.9581 -77.2972 -15.6636 30.3281 -13.9582 30.3282 -11.5909 GPRESSAVG: 2884400 46.6918 -78.9298 -14.5413 -76.9801 -15.9327 30.4245 -10.1388 30.8138 -12.0294 TIMING: 2884400 CPU: 9116.31, 0.00321729/step Wall: 9116.31, 0.0032173/step, 1.8907 hours remaining, 240.210938 MB of memory in use. ENERGY: 2884400 4021.7992 20446.2490 14474.2246 251.8580 -203700.7365 2594.6367 0.0000 0.0000 51992.6368 -109919.3322 298.8024 -161911.9689 -109560.9012 298.1986 -154.6501 -128.0847 762034.1258 6.2057 6.2432 PRESSURE: 2884600 23.826 -121.076 -189.883 -121.076 -56.0559 182.532 -189.883 182.531 362.526 GPRESSURE: 2884600 -7.48826 -82.4667 -224.182 -55.7685 -20.2041 150.538 -133.708 170.669 449.073 PRESSAVG: 2884600 35.2343 -78.7859 -5.12691 -78.786 2.78854 32.3498 -5.12695 32.3497 0.750281 GPRESSAVG: 2884600 35.4204 -78.6041 -4.93178 -78.4118 2.96039 34.4824 -5.9379 31.4351 0.746572 TIMING: 2884600 CPU: 9116.95, 0.0031704/step Wall: 9116.95, 0.0031704/step, 1.86296 hours remaining, 240.414062 MB of memory in use. ENERGY: 2884600 3930.3712 20535.2187 14534.7710 252.0499 -203223.0652 2236.5302 0.0000 0.0000 51972.7157 -109761.4085 298.6879 -161734.1243 -109395.4205 298.4477 110.0985 140.4603 760846.3576 12.9244 13.0424 PRESSURE: 2884800 -574.932 -173.372 -193.847 -173.372 -350.53 -168.95 -193.848 -168.95 -185.351 GPRESSURE: 2884800 -543.436 -113.606 -151.025 -233.453 -336.261 -194.086 -146.584 -200.332 -140.741 PRESSAVG: 2884800 -18.9795 -65.5958 3.47852 -65.5958 8.85579 1.53177 3.4785 1.53189 28.1556 GPRESSAVG: 2884800 -20.1204 -65.7739 4.01533 -65.2759 10.6719 -0.556686 -0.440448 2.28138 27.5426 TIMING: 2884800 CPU: 9117.58, 0.00314873/step Wall: 9117.58, 0.00314873/step, 1.85005 hours remaining, 240.414062 MB of memory in use. ENERGY: 2884800 3943.7692 20545.2180 14514.2286 254.8894 -203688.7853 2714.2559 0.0000 0.0000 51951.1051 -109765.3191 298.5637 -161716.4243 -109412.4568 298.8029 -370.2709 -340.1460 760326.0826 6.0106 6.0314 PRESSURE: 2885000 -71.7886 72.8431 187.036 72.8443 144.523 -102.968 187.037 -102.967 -202.475 GPRESSURE: 2885000 -21.021 23.3496 110.208 22.8715 127.037 -106.956 186.967 -121.701 -131.586 PRESSAVG: 2885000 -21.2406 -19.7359 -4.03229 -19.7359 -19.57 -16.3307 -4.03222 -16.3307 10.5814 GPRESSAVG: 2885000 -19.9268 -17.2199 -5.26474 -21.1169 -20.952 -15.6144 -1.05367 -16.9099 11.0946 TIMING: 2885000 CPU: 9118.21, 0.00315633/step Wall: 9118.21, 0.00315633/step, 1.85434 hours remaining, 240.414062 MB of memory in use. ENERGY: 2885000 4023.9633 20577.5764 14552.6111 254.2134 -203890.8263 2823.1982 0.0000 0.0000 51942.3821 -109716.8818 298.5136 -161659.2639 -109362.0473 299.0465 -43.2470 -8.5235 760106.6951 -10.0764 -9.9280 PRESSURE: 2885200 -713.102 75.7826 -102.239 75.7822 -14.2887 248.02 -102.239 248.019 -32.8109 GPRESSURE: 2885200 -637.158 91.8258 -121.743 133.569 32.2094 283.071 -55.7294 165.255 -64.3748 PRESSAVG: 2885200 -1.28614 -41.7258 25.2224 -41.7259 -6.87195 5.83045 25.2224 5.8305 -21.25 GPRESSAVG: 2885200 -1.11699 -43.2694 26.2044 -40.8012 -6.64459 5.90001 24.3355 6.03154 -21.7124 TIMING: 2885200 CPU: 9118.84, 0.0031573/step Wall: 9118.84, 0.0031573/step, 1.85474 hours remaining, 240.414062 MB of memory in use. ENERGY: 2885200 3949.7359 20499.7299 14516.9980 242.0729 -202998.1132 2224.6726 0.0000 0.0000 51953.8784 -109611.0256 298.5797 -161564.9039 -109248.6212 299.1066 -253.4007 -223.1077 762563.3524 -9.8027 -9.8246 PRESSURE: 2885400 -68.7823 74.3195 227.941 74.3186 -352.675 -138.597 227.941 -138.597 -487.241 GPRESSURE: 2885400 -62.6215 40.2919 194.882 97.8528 -315.164 -154.373 177.142 -185.762 -438.48 PRESSAVG: 2885400 17.6486 -0.405976 10.6476 -0.406012 -4.0219 9.16971 10.6477 9.16968 4.39563 GPRESSAVG: 2885400 16.8958 -1.16462 10.0882 0.789315 -4.3048 9.63734 10.8363 8.42869 5.57889 TIMING: 2885400 CPU: 9119.47, 0.00316432/step Wall: 9119.47, 0.00316432/step, 1.85868 hours remaining, 240.414062 MB of memory in use. ENERGY: 2885400 3976.8165 20617.4565 14435.7688 229.6282 -203367.6166 2317.2812 0.0000 0.0000 52232.0450 -109558.6204 300.1783 -161790.6654 -109186.0111 299.6606 -302.8994 -272.0886 761337.0729 6.0074 6.0566 PRESSURE: 2885600 -245.366 -90.382 81.4715 -90.3815 338.512 68.4937 81.4715 68.4934 -90.0421 GPRESSURE: 2885600 -147.58 14.4785 50.1168 87.6705 323.372 80.16 124.964 101.56 -110.057 PRESSAVG: 2885600 32.1213 -21.5218 40.466 -21.5218 18.5082 -29.5843 40.466 -29.5843 22.2712 GPRESSAVG: 2885600 32.4002 -22.8831 40.2189 -21.7801 18.45 -30.4048 41.6519 -29.99 21.9657 TIMING: 2885600 CPU: 9120.11, 0.00317917/step Wall: 9120.11, 0.00317917/step, 1.86724 hours remaining, 240.414062 MB of memory in use. ENERGY: 2885600 3949.8157 20468.9500 14552.7571 235.2547 -203494.5141 2409.0522 0.0000 0.0000 52202.4580 -109676.2265 300.0082 -161878.6844 -109318.1994 299.1590 1.0346 21.9115 761529.2537 24.3002 24.2720 PRESSURE: 2885800 -154.106 -359.716 117.51 -359.717 6.22981 19.0074 117.511 19.0063 109.173 GPRESSURE: 2885800 -148.467 -284.465 99.81 -213.992 -38.9108 54.3656 55.6259 35.6231 202.408 PRESSAVG: 2885800 19.0069 -26.9575 83.9234 -26.9576 16.7871 -56.2929 83.9234 -56.2929 -21.797 GPRESSAVG: 2885800 19.0537 -25.2423 84.09 -25.4169 17.2059 -58.4402 82.8767 -54.1421 -22.0321 TIMING: 2885800 CPU: 9120.74, 0.00315355/step Wall: 9120.74, 0.00315355/step, 1.85201 hours remaining, 240.414062 MB of memory in use. ENERGY: 2885800 3903.1268 20618.1424 14461.5348 249.5900 -203510.5193 2436.3494 0.0000 0.0000 51994.9973 -109846.7787 298.8160 -161841.7761 -109478.2398 298.9833 -12.9009 5.0100 761006.5570 4.6657 4.7425 PRESSURE: 2886000 33.0371 -12.0492 -40.8492 -12.0495 95.281 -386.111 -40.85 -386.111 220.656 GPRESSURE: 2886000 149.167 -14.3414 -142.606 -64.2583 77.1634 -429.951 11.6073 -436.268 222.872 PRESSAVG: 2886000 14.6618 -57.1026 3.06204 -57.1025 -21.0637 -1.42049 3.06205 -1.42049 6.05283 GPRESSAVG: 2886000 14.3703 -55.9876 2.44365 -58.8488 -20.9085 0.177107 3.83418 -2.52054 6.58002 TIMING: 2886000 CPU: 9121.37, 0.00315402/step Wall: 9121.37, 0.00315402/step, 1.85211 hours remaining, 240.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2886000 3981.7224 20400.3495 14459.3623 254.1972 -203730.4861 2620.5570 0.0000 0.0000 52386.8677 -109627.4299 301.0680 -162014.2977 -109254.8803 299.0074 116.3246 149.7338 759430.8661 -0.1164 0.0139 PRESSURE: 2886200 34.9016 100.993 -312.105 100.994 203.747 38.3709 -312.105 38.3709 465.441 GPRESSURE: 2886200 -11.3116 83.1419 -262.303 104.131 286.721 0.757624 -372.476 113.892 509.568 PRESSAVG: 2886200 -0.562037 -63.7762 2.00282 -63.7761 3.53882 -92.0375 2.0029 -92.0373 34.2207 GPRESSAVG: 2886200 -0.837968 -63.2251 2.60119 -65.0722 3.81352 -93.1802 0.478266 -91.4527 33.6834 TIMING: 2886200 CPU: 9122, 0.00313698/step Wall: 9122, 0.00313698/step, 1.84193 hours remaining, 240.414062 MB of memory in use. ENERGY: 2886200 3942.9711 20601.9885 14464.2151 249.7107 -203375.5852 2399.7423 0.0000 0.0000 51847.0985 -109869.8590 297.9660 -161716.9576 -109509.2002 299.3310 234.6966 261.6593 758326.3867 12.3992 12.2196 PRESSURE: 2886400 -248.134 -14.9257 42.5087 -14.9266 -212.615 -311.061 42.5099 -311.061 -0.707041 GPRESSURE: 2886400 -241.595 -53.3681 52.1139 -116.064 -189.319 -272.874 28.9146 -270.44 60.5718 PRESSAVG: 2886400 3.3477 1.79251 -11.8315 1.7925 -51.9906 -86.5174 -11.8315 -86.5175 0.510626 GPRESSAVG: 2886400 3.48773 -1.23185 -11.6172 2.88956 -51.0623 -84.5414 -10.2002 -89.0108 -0.403629 TIMING: 2886400 CPU: 9122.63, 0.00314847/step Wall: 9122.63, 0.00314847/step, 1.8485 hours remaining, 240.414062 MB of memory in use. ENERGY: 2886400 3967.9983 20624.3359 14450.4718 240.8625 -203232.4067 2364.5661 0.0000 0.0000 51773.6627 -109810.5095 297.5440 -161584.1721 -109447.2260 298.9989 -153.8187 -123.4475 761956.9999 -16.0441 -15.9927 PRESSURE: 2886600 81.2357 94.061 5.62327 94.0616 275.775 37.5257 5.62315 37.5248 -475.245 GPRESSURE: 2886600 109.443 114.432 12.9905 88.9497 260.098 59.0759 30.7517 80.9303 -428.251 PRESSAVG: 2886600 -32.9211 -47.2907 44.6878 -47.2907 22.4291 -103.692 44.6879 -103.693 0.128288 GPRESSAVG: 2886600 -33.1352 -45.6007 45.8361 -47.3251 21.8606 -103.4 43.1979 -105.321 1.22273 TIMING: 2886600 CPU: 9123.26, 0.00315871/step Wall: 9123.26, 0.00315871/step, 1.85434 hours remaining, 240.414062 MB of memory in use. ENERGY: 2886600 4051.8324 20504.3633 14497.2218 239.0318 -203643.5918 2407.9687 0.0000 0.0000 52151.4289 -109791.7448 299.7150 -161943.1737 -109434.8950 299.0888 -39.4115 -19.5700 762558.1236 -3.4546 -3.3506 PRESSURE: 2886800 -142.633 46.7361 -45.8628 46.7356 -291.452 119.35 -45.8623 119.35 -409.385 GPRESSURE: 2886800 -53.2026 66.1245 -9.46559 -56.6363 -304.699 9.63452 -128.331 187.602 -400.73 PRESSAVG: 2886800 -15.295 -73.6559 31.6666 -73.6559 41.978 -37.2612 31.6666 -37.2612 5.83754 GPRESSAVG: 2886800 -15.2115 -75.5925 31.3651 -73.539 43.2264 -36.8227 32.961 -35.7567 5.06847 TIMING: 2886800 CPU: 9123.89, 0.00314315/step Wall: 9123.89, 0.00314315/step, 1.84503 hours remaining, 240.414062 MB of memory in use. ENERGY: 2886800 3959.8080 20604.5686 14458.1742 228.1259 -203916.0870 2725.1812 0.0000 0.0000 51891.5665 -110048.6626 298.2215 -161940.2291 -109687.5902 298.2708 -281.1567 -252.8772 760750.5964 10.8402 11.0278 PRESSURE: 2887000 -189.123 35.6088 274.3 35.6091 -137.078 45.6301 274.301 45.6285 -132.077 GPRESSURE: 2887000 -103.057 8.55646 259.393 53.4113 -148.541 -13.2243 132.104 -30.8759 -111.168 PRESSAVG: 2887000 -10.519 -10.5255 51.9392 -10.5255 25.0681 -47.7874 51.9391 -47.7874 -8.80319 GPRESSAVG: 2887000 -8.52626 -8.65868 53.0064 -9.75927 22.5109 -48.3245 48.4228 -47.1594 -8.29081 TIMING: 2887000 CPU: 9124.52, 0.00315549/step Wall: 9124.52, 0.00315549/step, 1.8521 hours remaining, 240.414062 MB of memory in use. ENERGY: 2887000 4011.8394 20395.9669 14371.3753 245.1839 -203524.3381 2579.7310 0.0000 0.0000 52093.6659 -109826.5756 299.3830 -161920.2415 -109463.1664 298.4796 -152.7596 -120.9219 761308.8390 1.9153 1.8979 PRESSURE: 2887200 201.554 39.6906 -53.999 39.6907 211.124 -125.977 -53.9986 -125.979 -62.0695 GPRESSURE: 2887200 176.641 -27.9057 -11.74 26.8157 245.246 -203.746 1.60103 -156.553 17.339 PRESSAVG: 2887200 -15.1413 -35.3507 21.7095 -35.3506 -5.31605 -18.2775 21.7095 -18.2775 -26.6286 GPRESSAVG: 2887200 -14.3774 -34.4868 21.231 -38.4524 -5.76472 -19.7997 23.3806 -16.2252 -26.773 TIMING: 2887200 CPU: 9125.14, 0.00313881/step Wall: 9125.14, 0.00313881/step, 1.84213 hours remaining, 240.414062 MB of memory in use. ENERGY: 2887200 4052.1335 20298.0836 14496.9289 245.7087 -203582.2307 2741.0227 0.0000 0.0000 51948.1115 -109800.2417 298.5465 -161748.3532 -109442.1488 298.5218 116.8695 146.4087 763400.8553 -15.6953 -15.6384 PRESSURE: 2887400 -168.555 89.7063 -133.047 89.7055 4.3767 185.475 -133.047 185.474 17.6301 GPRESSURE: 2887400 -58.3145 59.3678 -116.765 -31.4613 40.8385 251.063 -148.365 248.658 -52.4597 PRESSAVG: 2887400 6.65521 -35.7843 47.251 -35.7843 63.6314 -62.9182 47.251 -62.9181 -8.4701 GPRESSAVG: 2887400 5.18374 -39.837 47.6552 -33.2574 64.0956 -62.556 47.2039 -64.5579 -7.98544 TIMING: 2887400 CPU: 9125.77, 0.00313448/step Wall: 9125.77, 0.00313448/step, 1.83942 hours remaining, 240.414062 MB of memory in use. ENERGY: 2887400 3931.7089 20603.8138 14418.6282 238.2714 -203488.3550 2562.8161 0.0000 0.0000 51892.5646 -109840.5519 298.2273 -161733.1165 -109479.8110 299.0179 -48.8493 -23.3119 761968.8128 20.6055 20.4313 PRESSURE: 2887600 309.745 40.8369 -265.083 40.8375 -331.895 69.8822 -265.083 69.8823 -168.538 GPRESSURE: 2887600 331.077 82.6589 -264.767 -0.150487 -315.143 -36.3215 -198.892 181.989 -137.55 PRESSAVG: 2887600 -20.2068 14.1948 -15.6762 14.1949 11.1405 23.8327 -15.6762 23.8327 18.9867 GPRESSAVG: 2887600 -20.5422 16.7927 -16.4578 13.4849 11.0308 22.4608 -14.3376 26.201 19.5414 TIMING: 2887600 CPU: 9126.4, 0.00314973/step Wall: 9126.4, 0.00314973/step, 1.84819 hours remaining, 240.414062 MB of memory in use. ENERGY: 2887600 4001.0492 20502.2188 14401.7095 237.1348 -203601.6804 2766.0840 0.0000 0.0000 52134.9799 -109558.5042 299.6204 -161693.4841 -109186.9067 298.4198 -63.5626 -40.5389 762570.2647 3.3068 3.3433 PRESSURE: 2887800 -216.999 -28.7057 -34.1191 -28.7054 -248.502 60.8338 -34.1187 60.8333 98.0112 GPRESSURE: 2887800 -177.498 105.365 -46.3112 -82.711 -118.758 14.1389 5.76086 -65.1696 15.5544 PRESSAVG: 2887800 9.67538 4.31947 17.051 4.31945 -6.67448 9.89138 17.051 9.89137 -24.076 GPRESSAVG: 2887800 10.5072 6.43717 16.4819 3.1815 -5.90553 11.39 20.5662 6.90897 -25.7046 TIMING: 2887800 CPU: 9127.03, 0.00314868/step Wall: 9127.03, 0.00314868/step, 1.8474 hours remaining, 240.414062 MB of memory in use. ENERGY: 2887800 3964.3387 20704.6277 14462.8027 243.1360 -203039.7712 2234.4404 0.0000 0.0000 52048.8766 -109381.5492 299.1256 -161430.4258 -109029.3437 299.0722 -122.4963 -93.5669 761921.7404 -7.0250 -7.0343 PRESSURE: 2888000 93.348 13.4868 -152.502 13.4869 -93.6104 -264.425 -152.502 -264.426 325.346 GPRESSURE: 2888000 35.058 -64.9883 -94.0924 93.106 36.4142 -203.164 -160.071 -156.935 336.463 PRESSAVG: 2888000 -35.2539 -42.6756 37.6679 -42.6756 -1.09177 -0.23168 37.6679 -0.231664 12.0029 GPRESSAVG: 2888000 -35.5124 -44.2265 39.5021 -42.1725 -0.595695 -0.102183 33.4499 0.860113 11.7738 TIMING: 2888000 CPU: 9127.66, 0.00314835/step Wall: 9127.66, 0.00314835/step, 1.84703 hours remaining, 240.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2888000 4014.1168 20695.0080 14407.7184 254.9627 -203400.0047 2570.0351 0.0000 0.0000 52090.5439 -109367.6198 299.3651 -161458.1636 -109015.7269 299.7334 108.3612 135.9784 760058.5745 -8.1143 -8.1114 PRESSURE: 2888200 152.188 -97.8969 72.0037 -97.8968 158.26 -75.7023 72.0037 -75.7021 5.29099 GPRESSURE: 2888200 207.838 60.6144 12.9236 -117.304 181.965 10.4977 23.737 -271.646 16.4706 PRESSAVG: 2888200 -28.185 -28.2351 17.6075 -28.235 9.05862 -35.8884 17.6075 -35.8885 -6.51591 GPRESSAVG: 2888200 -27.8273 -27.6749 14.9059 -25.2474 8.42686 -35.4996 18.3519 -35.7922 -6.33125 TIMING: 2888200 CPU: 9128.29, 0.00315083/step Wall: 9128.29, 0.00315083/step, 1.84831 hours remaining, 240.414062 MB of memory in use. ENERGY: 2888200 3957.8193 20515.1481 14425.8153 242.5545 -203665.2119 2995.3517 0.0000 0.0000 52125.4673 -109403.0557 299.5658 -161528.5230 -109038.6090 299.6788 105.2460 135.4243 760940.6308 -8.5474 -8.5772 LDB: ============= START OF LOAD BALANCING ============== 9140.69 LDB: ============== END OF LOAD BALANCING =============== 9140.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9140.69 LDB: ============= START OF LOAD BALANCING ============== 9141 LDB: Largest compute 7044 load 0.033966 is 17.3% of average load 0.195908 LDB: Average compute 0.004384 is 2.2% of average load 0.195908 LDB: TIME 9141.01 LOAD: AVG 0.195908 MAX 0.217666 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.891 MB LDB: TIME 9141.01 LOAD: AVG 0.195908 MAX 0.217666 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.094 MB LDB: TIME 9141.01 LOAD: AVG 0.195908 MAX 0.217666 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.094 MB LDB: ============== END OF LOAD BALANCING =============== 9141.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9141.01 PRESSURE: 2888400 146.657 254.413 -131.835 254.414 -194.403 -80.6783 -131.836 -80.6789 -243.125 GPRESSURE: 2888400 173.101 215.665 -78.7403 277.074 -197.17 -98.7649 -209.825 -127.786 -170.046 PRESSAVG: 2888400 -24.0508 41.705 -21.0182 41.705 48.5728 8.95558 -21.0182 8.95558 22.8855 GPRESSAVG: 2888400 -22.3551 41.3414 -19.5962 39.7185 47.0871 8.94702 -21.1803 7.83676 22.924 TIMING: 2888400 CPU: 9128.93, 0.00320567/step Wall: 9128.93, 0.00320567/step, 1.8803 hours remaining, 240.085938 MB of memory in use. ENERGY: 2888400 4043.2868 20538.3047 14420.5239 231.9095 -203367.7566 2462.5732 0.0000 0.0000 52091.4587 -109579.6998 299.3703 -161671.1585 -109225.4813 299.6261 -96.9569 -64.7047 761495.8931 15.8025 15.8854 PRESSURE: 2888600 151.825 116.44 -190.306 116.439 219.315 -373.46 -190.306 -373.459 429.023 GPRESSURE: 2888600 223.979 -65.3978 -127.08 33.7802 241.081 -371.852 -255.588 -301.306 385.848 PRESSAVG: 2888600 -20.227 -32.3301 5.50036 -32.3301 28.9483 -52.8417 5.50034 -52.8417 -2.80735 GPRESSAVG: 2888600 -20.5792 -33.4304 6.8043 -32.2106 30.4752 -54.0547 5.82354 -53.1119 -3.17955 TIMING: 2888600 CPU: 9129.56, 0.00314924/step Wall: 9129.56, 0.00314924/step, 1.84703 hours remaining, 240.085938 MB of memory in use. ENERGY: 2888600 3961.7840 20626.3801 14386.0975 267.9786 -203358.1982 2754.9248 0.0000 0.0000 51693.8381 -109667.1950 297.0852 -161361.0331 -109315.6193 299.1619 266.7209 283.6360 761682.1483 1.9713 2.2388 PRESSURE: 2888800 -255.278 -118.077 -23.5066 -118.077 -35.0818 -124.092 -23.5068 -124.091 -102.759 GPRESSURE: 2888800 -249.602 -34.743 -60.0191 -152.626 58.7997 -125.198 77.8581 -104.837 -101.621 PRESSAVG: 2888800 -31.4776 -67.009 47.2676 -67.0089 41.7257 -49.0463 47.2676 -49.0462 -6.06283 GPRESSAVG: 2888800 -32.529 -68.0592 46.3156 -66.1729 42.9585 -48.9338 48.317 -47.7425 -5.79299 TIMING: 2888800 CPU: 9130.19, 0.00315629/step Wall: 9130.19, 0.00315629/step, 1.85099 hours remaining, 240.085938 MB of memory in use. ENERGY: 2888800 4042.9739 20594.0282 14372.8067 215.5069 -203568.9881 2612.0409 0.0000 0.0000 51930.6265 -109801.0051 298.4460 -161731.6315 -109452.3612 298.6025 -131.0395 -97.4746 761709.1540 1.3951 1.5455 PRESSURE: 2889000 -366.292 184.262 338.512 184.263 239.879 153.002 338.512 153.002 70.074 GPRESSURE: 2889000 -356.9 61.0286 367.614 90.7535 257.502 152.591 317.885 111.105 118.306 PRESSAVG: 2889000 -60.1284 -74.5874 -4.30798 -74.5874 29.707 22.5988 -4.30795 22.5988 -8.18614 GPRESSAVG: 2889000 -60.5816 -70.7737 -6.06796 -77.4306 29.8431 24.0375 -2.28455 23.0642 -8.0568 TIMING: 2889000 CPU: 9130.82, 0.00315674/step Wall: 9130.82, 0.00315674/step, 1.85108 hours remaining, 240.085938 MB of memory in use. ENERGY: 2889000 4008.5656 20438.2281 14392.3982 233.8794 -203457.3817 2717.6234 0.0000 0.0000 51752.0274 -109914.6597 297.4196 -161666.6871 -109543.5766 298.5667 -18.7796 6.3027 762749.5666 -12.8692 -12.9318 PRESSURE: 2889200 53.5425 162.982 96.9265 162.983 -205.115 -52.4944 96.927 -52.4936 -22.4051 GPRESSURE: 2889200 207.749 95.1438 81.3672 124.063 -165.16 -93.6514 -72.3573 -104.357 -106.476 PRESSAVG: 2889200 -48.4726 -33.2023 55.0494 -33.2023 47.4319 -14.9151 55.0494 -14.9152 -8.88772 GPRESSAVG: 2889200 -46.7949 -35.0984 56.4927 -31.5747 45.1377 -15.7642 50.8685 -16.5261 -8.2496 TIMING: 2889200 CPU: 9131.45, 0.00314222/step Wall: 9131.45, 0.00314222/step, 1.84239 hours remaining, 240.085938 MB of memory in use. ENERGY: 2889200 3979.2981 20542.6996 14416.4838 224.2095 -203398.3609 2436.0992 0.0000 0.0000 51947.3827 -109852.1881 298.5423 -161799.5708 -109494.2086 298.4692 -57.9926 -21.2960 761729.6146 -3.3095 -3.3023 PRESSURE: 2889400 63.8116 168.475 -68.7417 168.476 44.1185 -37.0594 -68.7416 -37.0597 -103.799 GPRESSURE: 2889400 92.2065 135.785 -80.7909 151.327 56.6967 -49.6397 11.7557 -109.583 -77.7013 PRESSAVG: 2889400 -29.8977 -24.1535 28.101 -24.1535 19.1446 -26.0883 28.1009 -26.0884 23.8015 GPRESSAVG: 2889400 -31.0356 -23.5877 28.9227 -22.8829 20.7326 -27.3535 29.0412 -26.3392 23.8848 TIMING: 2889400 CPU: 9132.09, 0.00317217/step Wall: 9132.09, 0.00317217/step, 1.85977 hours remaining, 240.085938 MB of memory in use. ENERGY: 2889400 3969.5395 20542.1755 14381.7133 239.1446 -203079.7269 2274.5686 0.0000 0.0000 51903.9754 -109768.6100 298.2929 -161672.5854 -109401.4160 298.7848 1.3772 23.7340 760874.3861 4.3495 4.5273 PRESSURE: 2889600 -74.8559 -101.716 -96.5948 -101.716 243.056 31.9002 -96.5935 31.8998 274.699 GPRESSURE: 2889600 1.22077 -91.7158 -95.099 -108.36 243.145 -6.08155 -104.564 -18.4348 269.561 PRESSAVG: 2889600 7.97547 -26.6426 46.8418 -26.6427 15.8015 -51.7309 46.8417 -51.7309 10.323 GPRESSAVG: 2889600 8.76883 -27.9384 46.204 -27.9734 15.3113 -49.6438 45.3059 -52.8908 9.77781 TIMING: 2889600 CPU: 9132.72, 0.00315387/step Wall: 9132.72, 0.00315387/step, 1.84887 hours remaining, 240.085938 MB of memory in use. ENERGY: 2889600 3983.4047 20573.3005 14484.7553 226.9464 -203142.6009 2600.6664 0.0000 0.0000 51758.1213 -109515.4063 297.4546 -161273.5276 -109164.6291 298.7206 147.6327 171.3088 761856.4692 11.3667 11.2860 PRESSURE: 2889800 17.0863 54.6752 140.632 54.6755 389.924 -155.838 140.632 -155.838 212.306 GPRESSURE: 2889800 122.569 175.261 136.73 212.57 435.992 -211.421 118.399 19.2878 143.173 PRESSAVG: 2889800 -25.8598 -23.4872 -33.3899 -23.4873 39.6231 -43.9552 -33.3898 -43.9552 -6.32676 GPRESSAVG: 2889800 -25.2943 -22.4557 -33.1638 -22.723 39.5881 -44.631 -30.9224 -43.957 -6.89138 TIMING: 2889800 CPU: 9133.35, 0.00313301/step Wall: 9133.35, 0.00313301/step, 1.83646 hours remaining, 240.085938 MB of memory in use. ENERGY: 2889800 4014.5008 20473.9527 14455.3407 253.6207 -203279.7336 2662.1779 0.0000 0.0000 51972.6753 -109447.4657 298.6877 -161420.1409 -109090.8665 299.3141 206.4388 233.9115 760018.9116 2.4789 2.4675 PRESSURE: 2890000 -192.529 -87.8763 57.0719 -87.876 70.4733 15.8196 57.0729 15.8185 -456.475 GPRESSURE: 2890000 -162.212 -117.079 16.5196 -175.185 111.659 51.0354 72.575 -27.2039 -428.984 PRESSAVG: 2890000 -41.6675 -11.1323 45.448 -11.1323 122.416 4.16103 45.448 4.161 11.7278 GPRESSAVG: 2890000 -41.5758 -12.0686 42.7619 -10.4061 122.377 3.90431 44.8057 4.14897 11.9907 TIMING: 2890000 CPU: 9133.97, 0.00313536/step Wall: 9133.97, 0.00313536/step, 1.83767 hours remaining, 240.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2890000 4038.2558 20528.5752 14546.7158 249.8558 -203418.0160 2543.6027 0.0000 0.0000 52151.5664 -109359.4443 299.7158 -161511.0107 -108998.9999 299.8725 -192.8436 -159.8456 761991.6788 30.8255 30.9306 PRESSURE: 2890200 -365.971 60.2259 252.049 60.2257 -353.889 119.113 252.049 119.112 -238.226 GPRESSURE: 2890200 -328.976 2.27973 354.905 9.78496 -275.183 109.46 365.751 94.0379 -260.699 PRESSAVG: 2890200 -39.0978 19.9891 1.48316 19.989 9.19119 -22.9241 1.4832 -22.924 -9.55356 GPRESSAVG: 2890200 -39.288 20.0703 3.12246 19.4778 9.14465 -23.0298 1.79425 -21.4901 -8.97072 TIMING: 2890200 CPU: 9134.6, 0.00314232/step Wall: 9134.6, 0.00314232/step, 1.84157 hours remaining, 240.085938 MB of memory in use. ENERGY: 2890200 4020.1436 20562.2321 14467.6696 265.9373 -202635.1082 2136.9191 0.0000 0.0000 51931.9221 -109250.2845 298.4535 -161182.2066 -108890.7084 299.5373 -319.3623 -288.2860 762972.5355 -13.1534 -13.0380 PRESSURE: 2890400 -282.461 75.3184 33.2754 75.3172 -301.059 27.1061 33.2754 27.1066 60.2786 GPRESSURE: 2890400 -247.34 107.071 85.7961 -6.80358 -284.273 37.0621 -127.652 -55.5216 92.4258 PRESSAVG: 2890400 -60.6665 -28.3368 45.7129 -28.3368 79.2864 -21.7766 45.7129 -21.7766 -2.44402 GPRESSAVG: 2890400 -62.2602 -27.618 46.3812 -28.9008 80.0836 -19.1973 45.8557 -23.864 -1.71474 TIMING: 2890400 CPU: 9135.23, 0.0031599/step Wall: 9135.23, 0.0031599/step, 1.8517 hours remaining, 240.085938 MB of memory in use. ENERGY: 2890400 4007.5836 20694.2837 14448.9440 243.6497 -203482.0798 2555.8678 0.0000 0.0000 52219.8743 -109311.8766 300.1083 -161531.7510 -108951.6228 299.7434 -174.4136 -146.3957 763499.0182 5.3920 5.3695 PRESSURE: 2890600 -10.8638 -88.9574 -259.161 -88.9575 44.146 7.00348 -259.161 7.00278 284.499 GPRESSURE: 2890600 42.4858 -76.6507 -197.997 -167.275 151.806 -52.936 -235.379 39.9956 223.116 PRESSAVG: 2890600 -87.6895 -49.2392 57.7359 -49.2392 60.3978 -9.72248 57.736 -9.7225 7.30663 GPRESSAVG: 2890600 -86.5028 -50.4814 58.3539 -46.4652 60.9182 -10.5359 55.476 -6.91576 6.24932 TIMING: 2890600 CPU: 9135.87, 0.00317754/step Wall: 9135.87, 0.00317754/step, 1.86186 hours remaining, 240.085938 MB of memory in use. ENERGY: 2890600 3935.8446 20599.2186 14352.3423 261.7297 -203180.5199 2655.1828 0.0000 0.0000 52000.5839 -109375.6180 298.8481 -161376.2019 -109022.0358 300.0700 105.9270 139.1362 760816.8457 -6.6617 -6.4451 PRESSURE: 2890800 -96.9173 81.5043 -34.6063 81.5046 210.02 219.125 -34.6066 219.124 224.061 GPRESSURE: 2890800 -40.24 132.358 11.9503 29.1617 303.659 152.857 51.0844 269.514 159.875 PRESSAVG: 2890800 -23.5629 -46.4718 21.5547 -46.4719 59.3423 -62.5978 21.5546 -62.5979 -30.5461 GPRESSAVG: 2890800 -23.0742 -46.736 20.7543 -47.2653 58.9765 -63.488 24.4039 -65.655 -30.236 TIMING: 2890800 CPU: 9136.5, 0.00314252/step Wall: 9136.5, 0.00314252/step, 1.84117 hours remaining, 240.085938 MB of memory in use. ENERGY: 2890800 3955.9588 20538.9873 14398.4487 232.9863 -203168.7166 2411.2211 0.0000 0.0000 52174.4609 -109456.6536 299.8473 -161631.1145 -109087.8545 299.8083 112.3880 141.0979 760040.3111 1.7444 1.8888 PRESSURE: 2891000 -150.534 113.027 -114.643 113.027 -402.956 77.5108 -114.643 77.5112 -123.215 GPRESSURE: 2891000 -91.1898 5.23413 -95.6721 24.2933 -394.119 119.229 -189.025 58.0878 -95.8298 PRESSAVG: 2891000 16.0943 -13.1557 23.9432 -13.1557 6.34333 -33.812 23.9432 -33.8119 -1.28675 GPRESSAVG: 2891000 17.6548 -13.1084 23.5059 -13.0248 5.97583 -34.1898 21.9025 -32.4597 -2.42818 TIMING: 2891000 CPU: 9137.13, 0.00316725/step Wall: 9137.13, 0.00316725/step, 1.85548 hours remaining, 240.085938 MB of memory in use. ENERGY: 2891000 4040.6854 20639.9305 14402.4967 253.8672 -203424.5760 2514.6013 0.0000 0.0000 52018.9363 -109554.0586 298.9535 -161572.9949 -109192.4177 299.5565 -225.5681 -193.7128 761844.2849 7.0503 7.0675 PRESSURE: 2891200 241.68 -52.557 -33.1877 -52.5576 45.9263 -106.604 -33.1882 -106.604 -297.402 GPRESSURE: 2891200 272.197 -30.9201 -55.1495 -52.3135 37.5628 -85.2947 -18.2419 -36.1941 -243.843 PRESSAVG: 2891200 -67.2211 -12.5889 -26.2932 -12.5889 19.0068 19.7374 -26.2932 19.7374 1.54281 GPRESSAVG: 2891200 -69.1503 -10.0736 -25.8498 -15.2781 19.3399 20.1145 -25.7174 21.335 3.2973 TIMING: 2891200 CPU: 9137.75, 0.00312234/step Wall: 9137.75, 0.00312234/step, 1.829 hours remaining, 240.085938 MB of memory in use. ENERGY: 2891200 3869.5009 20616.0737 14392.6994 252.6541 -203481.7191 2648.9077 0.0000 0.0000 52313.1507 -109388.7326 300.6444 -161701.8833 -109032.4905 299.4458 -3.2652 21.9722 760643.6724 -15.5572 -15.5044 PRESSURE: 2891400 119.328 -111.801 60.6513 -111.802 -68.0708 56.0044 60.6513 56.0033 236.343 GPRESSURE: 2891400 214.534 -127.426 -94.8944 -189.271 -51.3258 138.257 -29.8889 -36.6995 197.334 PRESSAVG: 2891400 -19.1474 -44.4351 -5.49097 -44.4351 2.29481 6.91889 -5.49099 6.91884 -4.5259 GPRESSAVG: 2891400 -18.5774 -46.5709 -6.55749 -43.4913 2.46009 6.90654 -5.66975 5.30337 -5.43383 TIMING: 2891400 CPU: 9138.38, 0.00313591/step Wall: 9138.38, 0.00313591/step, 1.83677 hours remaining, 240.085938 MB of memory in use. ENERGY: 2891400 3939.2083 20527.4912 14483.6607 235.9600 -203219.6555 2543.9813 0.0000 0.0000 52005.3498 -109484.0042 298.8755 -161489.3540 -109119.0946 299.5587 95.8668 120.1806 760056.2471 -7.1261 -7.1837 PRESSURE: 2891600 203.161 77.0505 207.288 77.051 -40.0772 200.59 207.288 200.589 -310.858 GPRESSURE: 2891600 198.401 -19.6831 247.067 68.9701 -29.2669 188.436 199.535 165.66 -248.122 PRESSAVG: 2891600 -33.4092 -34.1336 24.9722 -34.1336 -1.76215 -29.8205 24.9722 -29.8205 21.1959 GPRESSAVG: 2891600 -33.2748 -33.8345 26.868 -35.1424 -2.69198 -29.267 24.2082 -29.5058 21.8089 TIMING: 2891600 CPU: 9139.01, 0.00316472/step Wall: 9139.01, 0.00316472/step, 1.85347 hours remaining, 240.085938 MB of memory in use. ENERGY: 2891600 4105.5903 20556.8848 14434.8529 241.2604 -203531.7866 2716.7297 0.0000 0.0000 52196.1230 -109280.3455 299.9718 -161476.4685 -108931.4161 299.2612 -49.2580 -26.3292 760825.6482 -4.6585 -4.7193 PRESSURE: 2891800 -95.5482 -232.947 -0.986227 -232.947 191.882 79.0885 -0.985153 79.0881 -116.556 GPRESSURE: 2891800 -43.4715 -198.515 41.7074 -189.932 255.871 12.8177 38.1573 193.66 -150.914 PRESSAVG: 2891800 3.5338 -22.9439 39.9576 -22.9439 16.1487 43.551 39.9576 43.551 12.1756 GPRESSAVG: 2891800 2.96677 -22.7143 38.6013 -20.8014 16.2176 41.8357 40.9752 44.0461 11.9378 TIMING: 2891800 CPU: 9139.65, 0.00315318/step Wall: 9139.65, 0.00315318/step, 1.84654 hours remaining, 240.085938 MB of memory in use. ENERGY: 2891800 4024.8308 20689.9986 14485.2671 259.5275 -203924.9612 2776.0104 0.0000 0.0000 52154.5424 -109534.7844 299.7329 -161689.3268 -109171.1776 299.7305 -6.7407 20.4954 759710.3725 10.6194 10.3740 PRESSURE: 2892000 -438.342 -29.5543 -109.458 -29.5549 -289.354 -163.29 -109.459 -163.29 -380.77 GPRESSURE: 2892000 -295.744 21.3027 -131.588 -9.98255 -293.232 -141.853 -150.523 -120.437 -427.092 PRESSAVG: 2892000 -66.3228 -28.9617 28.1587 -28.9617 12.572 -48.8296 28.1587 -48.8296 -8.29036 GPRESSAVG: 2892000 -66.4511 -28.5072 28.6486 -29.9477 13.4913 -46.1455 27.4152 -49.3293 -8.72819 TIMING: 2892000 CPU: 9140.28, 0.00316312/step Wall: 9140.28, 0.00316311/step, 1.85218 hours remaining, 240.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2892000 4118.5555 20603.9696 14419.4054 242.1000 -202974.8882 2182.0422 0.0000 0.0000 51945.7575 -109463.0580 298.5330 -161408.8155 -109103.5235 298.7395 -369.4886 -338.6895 760781.5014 -20.6804 -20.5627 PRESSURE: 2892200 -16.8046 -94.1071 -127.374 -94.106 219.899 180.06 -127.373 180.06 -60.4117 GPRESSURE: 2892200 -33.1316 -114.327 -31.0314 -20.9911 225.911 152.18 -266.087 182.425 26.452 PRESSAVG: 2892200 -8.5079 -89.2698 16.7925 -89.2697 71.3183 29.0742 16.7925 29.0742 -2.98029 GPRESSAVG: 2892200 -7.30107 -89.5275 17.4881 -88.9786 69.8319 27.7449 20.002 28.3911 -2.90851 TIMING: 2892200 CPU: 9140.91, 0.00314164/step Wall: 9140.91, 0.00314164/step, 1.83943 hours remaining, 240.085938 MB of memory in use. ENERGY: 2892200 4043.3349 20463.7449 14487.2926 257.9549 -203269.4905 2414.4861 0.0000 0.0000 52014.0955 -109588.5817 298.9257 -161602.6771 -109223.1990 299.2586 47.5609 73.0770 761223.2276 19.9434 19.8741 LDB: ============= START OF LOAD BALANCING ============== 9153.3 LDB: ============== END OF LOAD BALANCING =============== 9153.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9153.31 LDB: ============= START OF LOAD BALANCING ============== 9153.62 LDB: Largest compute 7031 load 0.031548 is 16.1% of average load 0.195976 LDB: Average compute 0.004384 is 2.2% of average load 0.195976 LDB: TIME 9153.62 LOAD: AVG 0.195976 MAX 0.219387 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.348 MB LDB: TIME 9153.62 LOAD: AVG 0.195976 MAX 0.219387 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: TIME 9153.62 LOAD: AVG 0.195976 MAX 0.218011 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: ============== END OF LOAD BALANCING =============== 9153.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9153.63 PRESSURE: 2892400 -178.437 171.198 -309.822 171.198 3.46386 -88.5275 -309.822 -88.5269 -42.8897 GPRESSURE: 2892400 -154.448 -69.3689 -338.363 195.737 76.2937 -85.928 -304.152 -58.5938 -62.9363 PRESSAVG: 2892400 2.04534 22.8885 -7.21593 22.8885 11.1869 -14.176 -7.21593 -14.176 13.169 GPRESSAVG: 2892400 0.683076 21.3805 -9.18403 25.2924 12.4549 -15.8271 -8.22564 -11.8982 13.5563 TIMING: 2892400 CPU: 9141.55, 0.00321029/step Wall: 9141.55, 0.00321029/step, 1.87944 hours remaining, 238.671875 MB of memory in use. ENERGY: 2892400 4039.7282 20752.5582 14415.7257 233.9567 -203434.9744 2390.3151 0.0000 0.0000 52294.0619 -109308.6286 300.5347 -161602.6905 -108942.9555 299.6265 -72.6211 -47.0301 760171.4583 8.8004 8.8981 PRESSURE: 2892600 224.79 -103.493 -60.8994 -103.491 197.53 15.3727 -60.8996 15.3724 207.603 GPRESSURE: 2892600 146.9 -158.588 -32.6989 -69.8331 344.755 -25.5629 -67.2774 -80.6621 221.23 PRESSAVG: 2892600 9.78565 28.3508 -5.37541 28.3508 -0.994678 -6.82545 -5.37546 -6.82549 -4.67399 GPRESSAVG: 2892600 9.94166 27.8331 -5.228 26.4107 -0.473344 -5.36255 -6.38049 -7.96156 -5.17473 TIMING: 2892600 CPU: 9142.18, 0.0031467/step Wall: 9142.18, 0.0031467/step, 1.84204 hours remaining, 238.742188 MB of memory in use. ENERGY: 2892600 3976.7028 20707.9605 14394.0758 250.6972 -203591.8359 2676.3083 0.0000 0.0000 52317.4073 -109268.6839 300.6689 -161586.0912 -108895.4646 300.3706 209.9743 237.6285 760252.6468 1.3723 1.4312 PRESSURE: 2892800 57.6276 -258.741 -212.421 -258.741 -101.408 209.121 -212.422 209.122 -0.488408 GPRESSURE: 2892800 1.45708 -201.755 -152.312 -181.351 1.51969 274.936 -123.494 118.03 30.6253 PRESSAVG: 2892800 26.3895 -64.18 18.6791 -64.18 0.297183 -8.71427 18.6791 -8.71423 24.5849 GPRESSAVG: 2892800 26.9287 -62.9747 21.0294 -64.472 -0.648483 -7.50143 20.8704 -9.33236 24.9008 TIMING: 2892800 CPU: 9142.81, 0.00317136/step Wall: 9142.81, 0.00317136/step, 1.8563 hours remaining, 238.742188 MB of memory in use. ENERGY: 2892800 4040.6292 20385.1795 14345.1826 246.2871 -203198.6379 2610.1894 0.0000 0.0000 52322.3492 -109248.8209 300.6973 -161571.1701 -108882.2371 300.2553 -14.7561 11.2007 761210.6859 17.0905 17.0604 PRESSURE: 2893000 170.558 -103.231 12.0568 -103.232 244.016 87.4403 12.0566 87.4408 194.37 GPRESSURE: 2893000 212.94 -103.735 127.794 -109.568 312.299 90.4463 -29.4237 -43.7598 150.49 PRESSAVG: 2893000 -48.6423 10.7574 16.697 10.7574 17.8743 39.3285 16.697 39.3285 11.085 GPRESSAVG: 2893000 -48.1769 10.2154 16.5856 11.8054 18.085 37.2733 15.642 40.6921 10.8274 TIMING: 2893000 CPU: 9143.45, 0.00316792/step Wall: 9143.45, 0.00316792/step, 1.85411 hours remaining, 238.742188 MB of memory in use. ENERGY: 2893000 4058.5606 20642.8350 14491.4244 260.8226 -203524.5458 2756.8251 0.0000 0.0000 52000.5654 -109313.5127 298.8480 -161314.0781 -108942.4862 299.5802 202.9812 225.2433 759413.6320 -6.5610 -6.4215 PRESSURE: 2893200 -102.303 32.1503 -351.08 32.1504 73.5176 55.4546 -351.079 55.4554 373.521 GPRESSURE: 2893200 -34.033 -27.7751 -298.387 -129.801 64.2639 -0.825809 -397.999 117.021 395.058 PRESSAVG: 2893200 -19.6884 -23.8013 6.17478 -23.8012 23.0486 37.1582 6.17484 37.1582 11.2486 GPRESSAVG: 2893200 -19.428 -22.7269 4.11747 -25.3031 22.478 40.2345 6.47346 35.4758 11.0575 TIMING: 2893200 CPU: 9144.08, 0.00316398/step Wall: 9144.08, 0.00316398/step, 1.85163 hours remaining, 238.742188 MB of memory in use. ENERGY: 2893200 3947.0661 20618.9507 14459.5319 252.2094 -203323.1509 2423.7521 0.0000 0.0000 52204.2710 -109417.3697 300.0187 -161621.6407 -109053.0348 299.5848 114.9119 141.7630 759030.3909 4.8696 4.7025 PRESSURE: 2893400 -55.2709 52.002 72.6133 52.0029 -1.75165 -66.5138 72.613 -66.5136 -490.836 GPRESSURE: 2893400 -33.7543 11.5473 3.86548 -38.4574 9.47262 0.289826 89.1085 -178.744 -417.611 PRESSAVG: 2893400 -11.88 -70.042 -46.9115 -70.042 38.9279 -29.6863 -46.9116 -29.6864 -8.29883 GPRESSAVG: 2893400 -12.4743 -71.4687 -45.9285 -67.0663 38.9225 -32.7051 -48.8552 -29.1776 -7.47225 TIMING: 2893400 CPU: 9144.71, 0.0031463/step Wall: 9144.71, 0.0031463/step, 1.84111 hours remaining, 238.742188 MB of memory in use. ENERGY: 2893400 4034.2877 20382.1877 14368.9204 245.1916 -203053.9886 2382.2865 0.0000 0.0000 52160.0782 -109481.0364 299.7647 -161641.1146 -109124.5448 299.3181 -182.6194 -147.2975 760239.8774 6.2497 6.3253 PRESSURE: 2893600 146.997 89.8037 -25.2911 89.8032 354.549 185.988 -25.291 185.987 640.893 GPRESSURE: 2893600 205.872 40.4573 8.54876 32.4303 344.282 149.898 -17.4327 103.078 690.684 PRESSAVG: 2893600 -2.42121 -51.5239 41.1449 -51.5239 26.1798 -26.4317 41.1448 -26.4317 0.454116 GPRESSAVG: 2893600 -2.83024 -49.7245 40.7589 -53.3487 26.7329 -24.6629 41.3269 -25.5499 -0.0841437 TIMING: 2893600 CPU: 9145.34, 0.00316777/step Wall: 9145.34, 0.00316777/step, 1.8535 hours remaining, 238.742188 MB of memory in use. ENERGY: 2893600 3965.8490 20525.5983 14479.9408 242.0220 -203533.2337 2759.2556 0.0000 0.0000 52211.5030 -109349.0650 300.0602 -161560.5680 -108974.7319 299.9155 380.8130 413.6126 760259.3002 8.0709 7.9395 PRESSURE: 2893800 -330.667 68.1937 -15.7364 68.1932 -80.6624 214.797 -15.7368 214.798 156.807 GPRESSURE: 2893800 -252.627 6.12671 -6.09546 72.6025 -14.5396 226.044 26.8033 231.013 103.87 PRESSAVG: 2893800 33.8091 2.73805 -6.73481 2.73801 -18.9337 2.31271 -6.73485 2.31266 -7.46688 GPRESSAVG: 2893800 32.7902 2.56408 -5.2969 2.89179 -18.5583 0.740513 -6.15773 2.22509 -7.16038 TIMING: 2893800 CPU: 9145.98, 0.00317092/step Wall: 9145.98, 0.00317092/step, 1.85517 hours remaining, 238.742188 MB of memory in use. ENERGY: 2893800 4080.9871 20594.6101 14339.5442 239.9037 -203343.4119 2686.1485 0.0000 0.0000 51995.4689 -109406.7493 298.8187 -161402.2182 -109043.4737 299.8440 -84.8407 -54.4320 762097.2217 2.4695 2.3572 PRESSURE: 2894000 -177.191 -37.2333 -26.1256 -37.2332 -294.46 82.6941 -26.1258 82.6938 143.782 GPRESSURE: 2894000 -124.681 85.8187 -65.1373 -211.768 -229.722 144.409 51.6783 -12.5038 124.002 PRESSAVG: 2894000 -18.0992 -15.306 -9.32634 -15.306 -10.0272 39.7371 -9.32634 39.7371 2.92548 GPRESSAVG: 2894000 -16.811 -17.459 -9.74639 -15.4509 -10.5096 41.062 -9.39664 40.7017 2.58975 TIMING: 2894000 CPU: 9146.61, 0.00316321/step Wall: 9146.61, 0.00316321/step, 1.85048 hours remaining, 238.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2894000 3972.2799 20726.8490 14471.9955 231.7597 -203354.0826 2504.8060 0.0000 0.0000 52053.3935 -109392.9990 299.1516 -161446.3925 -109020.3549 299.8633 -109.2895 -76.8002 762461.2121 -8.4003 -8.2436 PRESSURE: 2894200 264.602 18.9685 28.2698 18.9695 170.149 16.0034 28.2705 16.0034 -60.1053 GPRESSURE: 2894200 301.706 70.8728 -73.7568 135.137 186.675 17.076 45.7227 75.3931 -50.9769 PRESSAVG: 2894200 25.9094 -33.9198 -32.0666 -33.9197 -20.3609 46.565 -32.0666 46.565 -15.928 GPRESSAVG: 2894200 25.3908 -31.4923 -34.04 -33.1788 -19.894 46.1143 -31.9916 45.7421 -16.3466 TIMING: 2894200 CPU: 9147.24, 0.00317741/step Wall: 9147.24, 0.00317741/step, 1.85861 hours remaining, 238.742188 MB of memory in use. ENERGY: 2894200 3936.8777 20663.5091 14527.6636 248.1227 -203433.1365 2568.1379 0.0000 0.0000 52197.3054 -109291.5201 299.9786 -161488.8255 -108927.8531 299.8922 124.8822 145.8011 762205.0725 -3.4598 -3.6166 PRESSURE: 2894400 -219.402 -326.34 -113.335 -326.341 -31.5389 -64.6861 -113.335 -64.6874 505.204 GPRESSURE: 2894400 -196.084 -182.014 -87.3879 -334.777 11.3705 -133.135 -128.465 -69.3547 521.559 PRESSAVG: 2894400 -38.6614 3.54807 21.5182 3.54812 5.7667 37.122 21.5182 37.1221 -11.0333 GPRESSAVG: 2894400 -37.6265 3.71062 23.2295 3.63512 5.87619 35.7663 19.9801 37.565 -12.5469 TIMING: 2894400 CPU: 9147.87, 0.00315601/step Wall: 9147.87, 0.00315601/step, 1.84592 hours remaining, 238.742188 MB of memory in use. ENERGY: 2894400 3948.3667 20705.4461 14541.5755 248.3043 -203511.4169 2601.7054 0.0000 0.0000 51969.7909 -109496.2279 298.6711 -161466.0188 -109134.8366 299.7800 84.7545 112.2820 760845.3648 -14.6427 -14.7657 PRESSURE: 2894600 -109.038 171.583 9.08805 171.582 -285.539 132.901 9.0877 132.901 20.8083 GPRESSURE: 2894600 -125.924 101.128 51.7851 187.468 -237.29 141.79 -102.104 181.766 63.9232 PRESSAVG: 2894600 1.78673 -22.032 -3.57895 -22.0321 16.7367 21.2581 -3.5789 21.258 21.1007 GPRESSAVG: 2894600 0.400764 -23.4136 -3.28096 -23.0338 15.9744 23.4188 -3.15769 20.5401 22.7532 TIMING: 2894600 CPU: 9148.51, 0.00315651/step Wall: 9148.51, 0.00315651/step, 1.84603 hours remaining, 238.742188 MB of memory in use. ENERGY: 2894600 4034.6252 20563.5178 14480.6024 262.1919 -203777.2807 2751.2014 0.0000 0.0000 51983.6333 -109701.5087 298.7507 -161685.1421 -109340.4898 299.2277 -124.5896 -99.7635 760420.7853 13.2080 13.0428 PRESSURE: 2894800 7.00081 223.041 229.9 223.04 -214.486 175.583 229.9 175.583 105.724 GPRESSURE: 2894800 6.98285 100.901 186.126 223.55 -135.642 195.28 292.187 60.7705 115.609 PRESSAVG: 2894800 3.88466 -42.9858 58.8829 -42.9858 -31.4337 8.25917 58.8829 8.25914 -6.221 GPRESSAVG: 2894800 4.121 -41.8619 57.6768 -43.968 -31.4841 7.17423 57.4108 6.71156 -6.29785 TIMING: 2894800 CPU: 9149.13, 0.00314509/step Wall: 9149.13, 0.00314509/step, 1.83918 hours remaining, 238.742188 MB of memory in use. ENERGY: 2894800 3958.7275 20575.3075 14471.1308 244.2184 -203597.1374 2617.7410 0.0000 0.0000 52029.9292 -109700.0831 299.0167 -161730.0122 -109336.4250 299.5312 -33.9204 -4.3498 759636.9130 -11.2567 -11.2203 PRESSURE: 2895000 302.386 -106.008 -296.865 -106.007 -14.94 -115.941 -296.865 -115.941 -381.725 GPRESSURE: 2895000 253.322 -188.857 -223.034 39.3951 116.507 -137.242 -231.583 -74.5576 -377.433 PRESSAVG: 2895000 -6.1534 6.66579 -22.7683 6.66574 -0.868585 7.22421 -22.7683 7.22422 5.49408 GPRESSAVG: 2895000 -6.07238 6.55747 -22.2705 5.90063 -1.03143 5.87374 -22.1737 9.05182 5.54157 TIMING: 2895000 CPU: 9149.76, 0.00314546/step Wall: 9149.76, 0.00314546/step, 1.83922 hours remaining, 238.742188 MB of memory in use. ENERGY: 2895000 3919.6999 20617.8220 14476.7525 266.5946 -203736.2869 2781.2819 0.0000 0.0000 51966.5340 -109707.6019 298.6524 -161674.1359 -109336.9713 299.2078 -31.4265 -2.5346 760520.4344 -0.5093 -0.5207 PRESSURE: 2895200 180.578 127.267 -9.38432 127.267 270.96 -173.716 -9.38428 -173.716 413.614 GPRESSURE: 2895200 265.557 63.834 32.9326 -13.5919 285.656 -309.525 -143.793 -56.8845 402.016 PRESSAVG: 2895200 -38.4604 -6.99707 -9.03677 -6.99709 41.6563 -25.092 -9.03671 -25.092 24.5776 GPRESSAVG: 2895200 -38.2627 -6.50172 -8.28877 -6.33383 41.7269 -23.4776 -7.18637 -26.1913 24.6541 TIMING: 2895200 CPU: 9150.39, 0.00314861/step Wall: 9150.39, 0.00314861/step, 1.84089 hours remaining, 238.742188 MB of memory in use. ENERGY: 2895200 4012.0340 20543.3139 14461.4247 243.2895 -203805.8519 2710.7794 0.0000 0.0000 52174.5874 -109660.4230 299.8481 -161835.0104 -109293.8774 299.1471 288.3841 317.7429 759904.2636 9.2579 9.3728 PRESSURE: 2895400 -103.188 23.5535 -52.0917 23.5534 -84.325 -77.1429 -52.0916 -77.1421 325.632 GPRESSURE: 2895400 -68.8245 -48.3411 -35.917 144.691 -2.65744 -113.257 9.35617 -81.018 303.402 PRESSAVG: 2895400 -69.3224 -22.712 1.97772 -22.712 64.2855 4.6819 1.97777 4.68196 14.1227 GPRESSAVG: 2895400 -69.4958 -23.9333 -0.597303 -23.0234 64.0087 4.71758 3.61655 6.42437 14.7181 TIMING: 2895400 CPU: 9151.02, 0.00312687/step Wall: 9151.02, 0.00312687/step, 1.828 hours remaining, 238.742188 MB of memory in use. ENERGY: 2895400 4038.3942 20568.5702 14488.2117 230.2001 -203359.3371 2470.2085 0.0000 0.0000 51948.0697 -109615.6827 298.5463 -161563.7524 -109260.8688 299.5040 46.0397 77.3065 761085.3833 3.0286 3.0770 PRESSURE: 2895600 90.0738 116.708 229.852 116.708 155.066 285.089 229.853 285.088 -109.81 GPRESSURE: 2895600 146.76 185.031 236.262 71.7924 180.497 271.606 218.015 325.787 -108.691 PRESSAVG: 2895600 -10.6973 -12.8805 9.34559 -12.8804 51.6003 -2.22878 9.34563 -2.22883 1.65219 GPRESSAVG: 2895600 -11.1119 -12.6702 11.1816 -11.546 51.1724 -2.01907 7.50562 -3.14413 1.8482 TIMING: 2895600 CPU: 9151.65, 0.00314357/step Wall: 9151.65, 0.00314357/step, 1.83759 hours remaining, 238.742188 MB of memory in use. ENERGY: 2895600 4014.3559 20386.3984 14548.0778 265.4252 -203463.8102 2515.5356 0.0000 0.0000 52091.7632 -109642.2542 299.3721 -161734.0174 -109274.3465 299.1144 45.1101 72.8552 759467.3888 14.1851 13.9696 PRESSURE: 2895800 -32.5796 -81.5305 175.023 -81.5305 365.456 122.925 175.023 122.925 214.379 GPRESSURE: 2895800 49.5326 -22.4599 209.196 -184.3 356.659 56.385 81.6815 177.001 235.077 PRESSAVG: 2895800 8.83904 14.8446 44.2763 14.8445 31.0454 69.8207 44.2763 69.8207 19.4758 GPRESSAVG: 2895800 9.70457 16.5063 44.6789 13.8963 30.4003 69.8465 43.6078 70.4545 19.2772 TIMING: 2895800 CPU: 9152.28, 0.00314553/step Wall: 9152.28, 0.00314553/step, 1.83856 hours remaining, 238.742188 MB of memory in use. ENERGY: 2895800 3979.2107 20490.4500 14554.6587 264.5922 -203336.4133 2611.1877 0.0000 0.0000 51907.8881 -109528.4259 298.3153 -161436.3140 -109159.2208 299.1224 182.4185 213.7562 759697.2123 19.7867 19.7940 PRESSURE: 2896000 -91.1151 51.5796 -42.6133 51.5802 -219.874 47.1005 -42.6138 47.1019 -419.604 GPRESSURE: 2896000 -124.499 -17.7764 -20.5279 0.516282 -141.529 -5.96542 -164.088 65.6231 -367.724 PRESSAVG: 2896000 -55.0805 3.95587 8.69246 3.95585 80.1461 -0.519839 8.69249 -0.519932 -9.46506 GPRESSAVG: 2896000 -56.2631 0.540596 7.80444 5.33003 80.9092 -1.80408 7.60313 -0.197893 -8.5655 TIMING: 2896000 CPU: 9152.91, 0.00315951/step Wall: 9152.91, 0.0031595/step, 1.84656 hours remaining, 238.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2896000 3940.2021 20642.7407 14481.7869 252.0096 -203280.6847 2367.8829 0.0000 0.0000 52096.8403 -109499.2223 299.4013 -161596.0626 -109128.7232 299.1088 -243.5309 -211.2508 762842.9530 5.2002 5.3602 PRESSURE: 2896200 -347.998 -79.737 249.619 -79.7363 -48.9396 -39.937 249.619 -39.9367 -450.031 GPRESSURE: 2896200 -289.831 -115.465 177.286 45.9012 -57.2467 -16.8572 230.874 -7.51635 -425.14 PRESSAVG: 2896200 7.96848 -23.9726 63.7058 -23.9725 15.2083 40.247 63.7058 40.247 -1.78782 GPRESSAVG: 2896200 8.54994 -21.4148 63.9546 -22.4627 15.2945 41.1724 65.0276 39.0218 -3.01028 TIMING: 2896200 CPU: 9153.54, 0.00314512/step Wall: 9153.54, 0.00314512/step, 1.83798 hours remaining, 238.742188 MB of memory in use. ENERGY: 2896200 4072.4251 20594.6012 14428.2832 247.2671 -203641.5569 2465.4520 0.0000 0.0000 52118.7685 -109714.7597 299.5273 -161833.5282 -109353.8004 299.0821 -282.3232 -257.4061 759257.7262 7.1296 6.9447 LDB: ============= START OF LOAD BALANCING ============== 9165.93 LDB: ============== END OF LOAD BALANCING =============== 9165.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9165.94 LDB: ============= START OF LOAD BALANCING ============== 9166.25 LDB: Largest compute 7025 load 0.032395 is 16.5% of average load 0.196104 LDB: Average compute 0.004377 is 2.2% of average load 0.196104 LDB: TIME 9166.26 LOAD: AVG 0.196104 MAX 0.217237 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 9166.26 LOAD: AVG 0.196104 MAX 0.217237 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: TIME 9166.26 LOAD: AVG 0.196104 MAX 0.217237 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: ============== END OF LOAD BALANCING =============== 9166.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9166.26 PRESSURE: 2896400 -46.2234 241.505 -59.365 241.505 -93.7749 -59.6004 -59.3648 -59.6016 -164.779 GPRESSURE: 2896400 -125.23 195.39 -64.2469 263.551 -33.3035 -83.2565 -115.946 -86.0312 -73.3732 PRESSAVG: 2896400 -3.20903 19.2246 33.8845 19.2246 40.1157 -5.13057 33.8845 -5.13068 -4.14736 GPRESSAVG: 2896400 -4.32275 18.3333 32.5685 17.5685 40.1967 -5.98192 33.9005 -5.1278 -2.83654 TIMING: 2896400 CPU: 9154.18, 0.00321456/step Wall: 9154.18, 0.00321456/step, 1.87838 hours remaining, 237.640625 MB of memory in use. ENERGY: 2896400 3963.2769 20460.2222 14415.7880 225.9708 -203547.2498 2441.1007 0.0000 0.0000 52144.7331 -109896.1581 299.6765 -162040.8912 -109532.7923 298.7666 -101.5924 -77.3023 759531.4804 10.9198 11.0125 PRESSURE: 2896600 79.9186 31.951 92.7273 31.9504 -149.995 -79.1724 92.7271 -79.1726 77.6809 GPRESSURE: 2896600 167.583 24.5554 25.389 14.7449 -120.374 -15.862 84.2408 19.7478 76.0941 PRESSAVG: 2896600 -1.74881 10.1713 -1.84255 10.1713 -21.1411 14.9651 -1.84252 14.9651 28.3779 GPRESSAVG: 2896600 -1.5021 11.3294 -2.03709 9.1513 -20.3855 15.6874 -2.34863 13.5879 27.4775 TIMING: 2896600 CPU: 9154.81, 0.00314628/step Wall: 9154.81, 0.00314628/step, 1.8383 hours remaining, 237.640625 MB of memory in use. ENERGY: 2896600 3970.8955 20366.8836 14461.0052 241.3063 -203538.1918 2719.0603 0.0000 0.0000 51948.4175 -109830.6234 298.5483 -161779.0409 -109470.0846 298.2276 2.5349 41.1010 759651.3512 1.8293 1.8633 PRESSURE: 2896800 -339.057 60.9559 -102.254 60.9556 -232.373 -205.31 -102.255 -205.311 -219.477 GPRESSURE: 2896800 -263.568 85.0771 -136.825 52.4131 -203.21 -229.939 -84.3578 -129.775 -224.968 PRESSAVG: 2896800 12.3271 -60.5089 21.9975 -60.509 45.969 19.5371 21.9975 19.537 24.933 GPRESSAVG: 2896800 12.0485 -60.8198 22.9396 -59.6037 46.1262 21.4578 22.2573 20.0328 25.0222 TIMING: 2896800 CPU: 9155.44, 0.00315028/step Wall: 9155.44, 0.00315028/step, 1.84047 hours remaining, 237.640625 MB of memory in use. ENERGY: 2896800 3971.7986 20480.0546 14415.9143 268.9795 -203483.2523 2636.8230 0.0000 0.0000 51953.8943 -109755.7880 298.5797 -161709.6823 -109390.0706 298.7220 -263.6356 -230.5820 761114.3737 27.7430 27.7323 PRESSURE: 2897000 -228.344 -258.419 19.1253 -258.42 125.622 36.516 19.1247 36.5162 331.064 GPRESSURE: 2897000 -114.027 -281.944 96.7845 -308.373 105.347 52.1285 -48.1638 115.566 327.628 PRESSAVG: 2897000 -11.1554 -40.217 34.614 -40.2171 -21.2869 63.6292 34.614 63.6293 -15.9966 GPRESSAVG: 2897000 -11.1674 -39.3482 35.5586 -40.9564 -22.0604 61.7451 33.7674 65.2617 -15.1959 TIMING: 2897000 CPU: 9156.07, 0.00315868/step Wall: 9156.07, 0.00315868/step, 1.8452 hours remaining, 237.640625 MB of memory in use. ENERGY: 2897000 4026.2729 20510.3919 14477.7487 257.1771 -203368.1635 2593.2614 0.0000 0.0000 51708.5115 -109794.7999 297.1695 -161503.3114 -109435.7975 298.6442 76.1139 106.3159 761791.3372 -16.1463 -16.1412 PRESSURE: 2897200 151.637 -62.9496 51.2389 -62.9494 146.209 2.11738 51.2395 2.11621 280.356 GPRESSURE: 2897200 237.313 -142.749 52.6734 -133.699 115.599 63.9084 -23.0981 -13.4059 319.596 PRESSAVG: 2897200 -0.821411 -54.9502 15.6302 -54.9502 -8.47884 0.669687 15.6302 0.669764 -0.726262 GPRESSAVG: 2897200 -0.212539 -57.1953 14.4485 -54.86 -8.10767 1.72646 17.1112 0.86495 -1.57799 TIMING: 2897200 CPU: 9156.71, 0.00317146/step Wall: 9156.71, 0.00317146/step, 1.85248 hours remaining, 237.640625 MB of memory in use. ENERGY: 2897200 3906.9064 20548.3051 14447.4012 249.1141 -203689.7495 2717.0488 0.0000 0.0000 52056.5781 -109764.3958 299.1699 -161820.9739 -109406.4530 298.5915 192.7339 224.1695 759657.0172 -3.3422 -3.2994 PRESSURE: 2897400 -38.7752 56.5684 68.412 56.5678 432.715 89.0104 68.4119 89.0093 -78.6612 GPRESSURE: 2897400 -34.2733 -73.3324 12.2237 57.1031 443.358 166.039 183.719 92.4675 -25.8201 PRESSAVG: 2897400 -26.1886 -43.8504 13.8514 -43.8504 21.498 51.1498 13.8513 51.1497 -8.87514 GPRESSAVG: 2897400 -25.7618 -42.5853 14.7317 -41.5938 20.9224 50.8034 13.4221 51.8306 -8.67784 TIMING: 2897400 CPU: 9157.34, 0.00315997/step Wall: 9157.34, 0.00315997/step, 1.8456 hours remaining, 237.640625 MB of memory in use. ENERGY: 2897400 3959.2334 20480.9708 14490.3702 236.6004 -203533.5508 2640.1392 0.0000 0.0000 51954.7121 -109771.5248 298.5844 -161726.2369 -109414.3510 298.6271 105.0929 127.7548 760280.4364 -4.5219 -4.5057 PRESSURE: 2897600 411.97 98.1164 -36.0987 98.1158 299.9 -99.8804 -36.0988 -99.8814 38.1567 GPRESSURE: 2897600 413.047 158.339 -53.6372 10.09 306.199 26.5955 -103.642 -83.6715 114.094 PRESSAVG: 2897600 -69.6082 -6.21274 12.7057 -6.2127 105.733 19.4242 12.7057 19.4242 18.4593 GPRESSAVG: 2897600 -70.017 -8.41147 13.2616 -6.47075 104.947 21.6499 14.3601 17.1547 20.03 TIMING: 2897600 CPU: 9157.97, 0.00316832/step Wall: 9157.97, 0.00316832/step, 1.8503 hours remaining, 237.640625 MB of memory in use. ENERGY: 2897600 3953.8178 20336.7280 14439.3365 262.0045 -203488.0153 2696.7290 0.0000 0.0000 52068.7233 -109730.6764 299.2397 -161799.3996 -109365.3116 298.8471 250.0088 277.7797 760281.8094 18.1948 18.3200 PRESSURE: 2897800 230.385 -19.2607 -207.885 -19.2604 504.163 -284.726 -207.886 -284.725 479.2 GPRESSURE: 2897800 177.483 -39.8317 -185.02 138.389 577.566 -193.223 -180.328 -207.543 524.272 PRESSAVG: 2897800 -47.9802 4.71217 -19.0278 4.71216 19.3818 -16.8632 -19.0278 -16.8632 -7.13963 GPRESSAVG: 2897800 -48.4371 8.50197 -21.421 2.58212 21.5201 -17.2619 -20.6529 -16.0374 -8.33018 TIMING: 2897800 CPU: 9158.6, 0.00313741/step Wall: 9158.6, 0.00313741/step, 1.83207 hours remaining, 237.640625 MB of memory in use. ENERGY: 2897800 3957.3234 20486.1930 14429.8328 259.3479 -203693.0791 2781.3367 0.0000 0.0000 51966.4227 -109812.6226 298.6517 -161779.0453 -109447.9914 298.4827 404.5826 426.4404 761386.9727 -11.9127 -11.7490 PRESSURE: 2898000 21.2124 -22.871 -112.155 -22.8699 -170.056 68.4282 -112.155 68.4281 101.106 GPRESSURE: 2898000 -90.4821 53.1335 -82.0887 -84.2134 -20.9168 25.0793 -6.53355 159.898 126.891 PRESSAVG: 2898000 -21.0179 23.0909 24.5996 23.091 26.8532 11.0038 24.5996 11.0039 20.9162 GPRESSAVG: 2898000 -21.6378 21.0243 26.2258 24.5503 27.4825 8.92677 25.3768 11.9946 21.053 TIMING: 2898000 CPU: 9159.23, 0.00312973/step Wall: 9159.23, 0.00312973/step, 1.82741 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2898000 3967.1033 20528.7618 14446.5269 252.0337 -203802.9866 2680.6158 0.0000 0.0000 52122.4030 -109805.5420 299.5482 -161927.9450 -109443.2808 299.2549 -15.9124 5.1639 760061.9843 8.9172 8.9659 PRESSURE: 2898200 365.647 140.545 -36.5646 140.545 134.131 162.446 -36.5654 162.447 205.873 GPRESSURE: 2898200 331.821 181.601 -23.4061 32.6988 226.515 183.181 -215.402 121.395 242.679 PRESSAVG: 2898200 23.8415 -7.19283 15.9248 -7.19288 -18.306 -10.9432 15.9248 -10.9432 -2.26999 GPRESSAVG: 2898200 23.4456 -5.96853 15.0392 -7.30081 -20.2408 -9.38162 15.227 -11.0181 -0.645147 TIMING: 2898200 CPU: 9159.85, 0.00314217/step Wall: 9159.85, 0.00314217/step, 1.8345 hours remaining, 237.640625 MB of memory in use. ENERGY: 2898200 3960.6441 20271.8069 14447.3494 240.0273 -203957.6221 3065.1501 0.0000 0.0000 52028.6200 -109944.0242 299.0092 -161972.6442 -109579.0338 298.8611 235.2170 267.0049 758831.5112 1.0885 0.8532 PRESSURE: 2898400 -204.371 -101.119 -143.544 -101.119 -330.216 127.455 -143.545 127.456 -465.59 GPRESSURE: 2898400 -243.559 -82.2209 -227.926 -90.5406 -154.352 212.31 -210.936 24.3623 -499.385 PRESSAVG: 2898400 11.3646 10.4771 -24.5866 10.4771 -28.2263 4.22994 -24.5866 4.22993 21.1207 GPRESSAVG: 2898400 12.8907 10.3038 -25.0271 8.74662 -27.3759 1.81567 -26.0511 3.95427 18.9103 TIMING: 2898400 CPU: 9160.49, 0.0031609/step Wall: 9160.49, 0.0031609/step, 1.84526 hours remaining, 237.640625 MB of memory in use. ENERGY: 2898400 4101.5818 20301.3545 14441.5083 248.2666 -202916.4601 2149.2359 0.0000 0.0000 51963.0759 -109711.4371 298.6325 -161674.5130 -109359.5902 298.9846 -333.3924 -299.0987 761283.5621 1.4197 1.4750 PRESSURE: 2898600 -105.696 39.8863 -161.719 39.8855 -131.938 3.14416 -161.718 3.14545 -444.975 GPRESSURE: 2898600 -44.5344 -3.95053 -125.988 -31.9486 -95.7299 27.2924 -227.511 39.4711 -458.924 PRESSAVG: 2898600 52.4076 5.34868 23.23 5.3487 -48.7799 -28.5427 23.23 -28.5426 10.2349 GPRESSAVG: 2898600 52.5268 4.60081 24.4333 5.72381 -48.6238 -27.9222 23.4455 -30.5644 10.0945 TIMING: 2898600 CPU: 9161.11, 0.00314606/step Wall: 9161.11, 0.00314606/step, 1.83642 hours remaining, 237.640625 MB of memory in use. ENERGY: 2898600 4023.3753 20299.5240 14486.8502 244.5292 -203391.2292 2642.6990 0.0000 0.0000 51978.8633 -109715.3882 298.7232 -161694.2515 -109356.9624 298.8633 -227.5364 -199.7295 760693.5254 4.6209 4.6658 PRESSURE: 2898800 191.239 48.5609 101.931 48.5616 107.688 97.0916 101.932 97.0912 141.457 GPRESSURE: 2898800 332.736 -67.5956 98.5325 67.9748 64.8743 129.612 60.9779 58.9623 124.198 PRESSAVG: 2898800 37.7006 -46.9163 17.9884 -46.9162 -28.6588 -12.3771 17.9883 -12.377 5.45409 GPRESSAVG: 2898800 37.839 -46.2999 18.717 -47.625 -30.7096 -12.7091 18.5632 -7.58459 7.19748 TIMING: 2898800 CPU: 9161.75, 0.00316007/step Wall: 9161.75, 0.00316007/step, 1.84443 hours remaining, 237.640625 MB of memory in use. ENERGY: 2898800 4000.2386 20507.9391 14461.9902 254.3782 -203276.7980 2439.2364 0.0000 0.0000 51712.6731 -109900.3423 297.1934 -161613.0154 -109545.7377 298.4846 146.7948 173.9363 759112.7322 4.8320 4.7756 PRESSURE: 2899000 130.478 -75.7104 225.962 -75.7104 276.131 108.153 225.962 108.153 -110.166 GPRESSURE: 2899000 185.771 -63.808 123.445 -97.1015 251.888 154.677 194.44 114.661 -55.3714 PRESSAVG: 2899000 34.0451 6.28999 13.8806 6.28995 -17.8536 -1.57108 13.8806 -1.57096 -4.53609 GPRESSAVG: 2899000 33.6667 6.43471 14.0119 8.52243 -16.3615 -0.82046 13.0934 -5.78475 -5.54351 TIMING: 2899000 CPU: 9162.38, 0.00314102/step Wall: 9162.38, 0.00314102/step, 1.83313 hours remaining, 237.640625 MB of memory in use. ENERGY: 2899000 4008.2047 20476.2784 14435.4416 256.0762 -203588.9472 2558.0466 0.0000 0.0000 52033.1475 -109821.7522 299.0352 -161854.8996 -109454.4595 298.4666 98.8144 127.4291 760310.0439 3.8851 3.9206 PRESSURE: 2899200 182.894 -121.95 -135.308 -121.95 -156.785 77.2575 -135.308 77.2573 -90.2615 GPRESSURE: 2899200 203.3 -118.156 -115.076 16.5478 -80.036 124.082 15.389 59.3884 -98.1415 PRESSAVG: 2899200 14.4777 9.6953 -18.0578 9.69526 -14.1517 7.29412 -18.0577 7.29417 -6.30997 GPRESSAVG: 2899200 14.5921 9.5723 -19.4163 10.3561 -14.9403 7.12826 -14.95 7.14668 -6.00486 TIMING: 2899200 CPU: 9163.01, 0.00316542/step Wall: 9163.01, 0.00316542/step, 1.8472 hours remaining, 237.640625 MB of memory in use. ENERGY: 2899200 4026.5581 20583.1272 14482.2457 273.3080 -203555.9411 2525.1769 0.0000 0.0000 52105.7675 -109559.7577 299.4526 -161665.5252 -109200.3269 299.3678 -21.3842 8.3742 760403.6497 -1.9946 -2.1177 PRESSURE: 2899400 -100.591 -245.098 357.647 -245.098 -184.927 362.51 357.648 362.511 -23.1478 GPRESSURE: 2899400 -38.7819 -93.072 325.725 -336.781 -209.365 236.552 287.451 354.863 15.5462 PRESSAVG: 2899400 4.35898 -40.7418 -2.07913 -40.7419 -49.2376 -4.85429 -2.07914 -4.85429 22.3729 GPRESSAVG: 2899400 5.88641 -40.48 -2.59694 -42.8158 -50.1215 -5.8687 -3.16269 -2.74543 21.9518 TIMING: 2899400 CPU: 9163.64, 0.00314957/step Wall: 9163.64, 0.00314957/step, 1.83778 hours remaining, 237.640625 MB of memory in use. ENERGY: 2899400 3924.7961 20564.5320 14461.4428 244.5905 -203352.2576 2546.4435 0.0000 0.0000 52077.8773 -109532.5755 299.2923 -161610.4528 -109168.4231 299.7515 -102.8885 -77.5335 760262.7869 -7.5019 -7.4278 PRESSURE: 2899600 -195.999 117.222 21.6984 117.222 -328.238 65.5721 21.6983 65.5726 -272.373 GPRESSURE: 2899600 -181 -9.26995 -17.1128 159.236 -287.512 34.5904 -8.91361 100.928 -256.662 PRESSAVG: 2899600 67.7935 3.86495 49.5682 3.86495 -45.6856 -24.9655 49.5682 -24.9655 25.5503 GPRESSAVG: 2899600 66.2824 4.1912 51.113 3.80285 -44.6454 -23.6189 47.2535 -24.4902 25.4941 TIMING: 2899600 CPU: 9164.27, 0.00315711/step Wall: 9164.27, 0.00315711/step, 1.842 hours remaining, 237.640625 MB of memory in use. ENERGY: 2899600 3997.2393 20522.7431 14490.1699 225.1450 -203034.1419 2116.0734 0.0000 0.0000 51976.5033 -109706.2678 298.7097 -161682.7712 -109338.3316 299.5605 -265.5369 -241.7248 760524.6841 15.8860 15.7104 PRESSURE: 2899800 -40.1103 -8.90536 -230.501 -8.90495 -154.791 -81.0488 -230.5 -81.0496 373.72 GPRESSURE: 2899800 -74.0576 -4.60923 -156.4 36.2103 -57.0122 -119.955 -226.859 36.8531 384.683 PRESSAVG: 2899800 45.1973 23.3456 11.9297 23.3456 -36.4903 30.0266 11.9297 30.0265 -4.1584 GPRESSAVG: 2899800 43.8011 21.5993 11.3963 24.5319 -36.5747 30.3555 13.5593 29.2445 -3.07994 TIMING: 2899800 CPU: 9164.9, 0.00315536/step Wall: 9164.9, 0.00315535/step, 1.8408 hours remaining, 237.640625 MB of memory in use. ENERGY: 2899800 3920.4749 20566.3284 14504.0076 234.2179 -203324.0223 2564.3113 0.0000 0.0000 51935.5666 -109599.1156 298.4744 -161534.6822 -109242.5275 298.7562 59.6062 84.5376 759464.1454 1.5162 1.3821 PRESSURE: 2900000 -134.411 -77.8863 121.227 -77.8862 261.902 -95.139 121.227 -95.1394 -85.8473 GPRESSURE: 2900000 -20.1541 -69.2372 56.069 -98.8057 164.949 -39.1781 130.752 -130.11 -9.83569 PRESSAVG: 2900000 27.762 -34.3215 -47.0939 -34.3214 -14.9659 -14.2233 -47.0939 -14.2234 5.07518 GPRESSAVG: 2900000 30.7443 -34.3752 -48.8379 -33.4278 -15.6824 -15.0645 -45.7646 -15.1826 3.01423 TIMING: 2900000 CPU: 9165.53, 0.00315989/step Wall: 9165.53, 0.00315989/step, 1.84327 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2900000 3947.6674 20500.5999 14469.6153 248.5387 -203509.8973 2529.4685 0.0000 0.0000 52192.1229 -109621.8847 299.9488 -161814.0076 -109248.3973 299.3021 13.8810 44.9866 759285.9151 5.9571 6.0254 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900200 197.101 6.5661 -139.899 6.56534 -44.9919 90.0543 -139.899 90.0542 254.663 GPRESSURE: 2900200 220.854 -85.1597 -173.757 -82.6371 80.95 134.749 -135.927 262.5 221.682 PRESSAVG: 2900200 -7.8124 -21.1389 -25.7807 -21.139 0.428901 -25.9572 -25.7807 -25.9573 -21.2603 GPRESSAVG: 2900200 -10.5482 -20.2846 -22.9438 -21.2645 1.72768 -26.5415 -28.2173 -25.8674 -19.8881 TIMING: 2900200 CPU: 9166.19, 0.0032691/step Wall: 9166.19, 0.0032691/step, 1.9068 hours remaining, 237.640625 MB of memory in use. ENERGY: 2900200 4030.7362 20552.8878 14466.5854 239.7706 -203360.1243 2421.5460 0.0000 0.0000 52019.8971 -109628.7011 298.9591 -161648.5982 -109271.8765 298.8827 135.5906 174.4952 759621.7300 -9.5479 -9.5695 LDB: ============= START OF LOAD BALANCING ============== 9178.58 LDB: ============== END OF LOAD BALANCING =============== 9178.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9178.59 LDB: ============= START OF LOAD BALANCING ============== 9178.9 LDB: Largest compute 7025 load 0.033966 is 17.3% of average load 0.196017 LDB: Average compute 0.004379 is 2.2% of average load 0.196017 LDB: TIME 9178.91 LOAD: AVG 0.196017 MAX 0.218032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 9178.91 LOAD: AVG 0.196017 MAX 0.218032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: TIME 9178.91 LOAD: AVG 0.196017 MAX 0.218032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: ============== END OF LOAD BALANCING =============== 9178.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9178.91 PRESSURE: 2900400 -14.2261 39.7966 -75.2827 39.797 -38.6782 164.115 -75.2839 164.116 301.318 GPRESSURE: 2900400 95.0668 -41.0214 -78.0713 43.8531 -96.9255 111.898 -77.1247 146.555 323.938 PRESSAVG: 2900400 -29.5751 -52.0926 -77.9479 -52.0926 -2.48948 19.1545 -77.9479 19.1546 10.5502 GPRESSAVG: 2900400 -28.7826 -53.4297 -78.6476 -50.7373 -3.6631 21.1452 -77.7111 19.6315 11.0802 TIMING: 2900400 CPU: 9166.83, 0.00322321/step Wall: 9166.83, 0.00322321/step, 1.87985 hours remaining, 237.332031 MB of memory in use. ENERGY: 2900400 3966.4468 20421.1461 14524.9133 259.1024 -203447.9761 2685.4911 0.0000 0.0000 51857.3493 -109733.5270 298.0249 -161590.8763 -109380.5501 298.7623 82.8046 107.3597 762450.4062 -7.1715 -7.1218 PRESSURE: 2900600 65.3379 185.769 107.11 185.77 299.869 67.3685 107.11 67.3699 96.7493 GPRESSURE: 2900600 153.176 117.786 4.28316 116.733 298.47 99.7944 30.748 35.812 83.4184 PRESSAVG: 2900600 35.0313 -28.2342 -25.9798 -28.2342 24.7839 -18.1191 -25.9798 -18.119 17.9295 GPRESSAVG: 2900600 36.0871 -27.1569 -25.5755 -30.4478 25.4926 -19.2012 -24.7135 -17.3329 16.0095 TIMING: 2900600 CPU: 9167.46, 0.00314852/step Wall: 9167.46, 0.00314852/step, 1.83611 hours remaining, 237.332031 MB of memory in use. ENERGY: 2900600 3954.8066 20607.6857 14506.0672 268.1753 -203888.2990 2980.4106 0.0000 0.0000 51919.8870 -109651.2666 298.3843 -161571.1536 -109284.4905 299.1261 153.9854 178.3547 760279.1217 25.9149 25.8631 PRESSURE: 2900800 134.778 -103.761 -69.799 -103.761 100.525 55.077 -69.799 55.077 257.707 GPRESSURE: 2900800 117.921 -52.2938 -83.9848 -64.8624 197.561 124.076 -52.5052 137.358 266.232 PRESSAVG: 2900800 -2.72545 10.5776 15.5977 10.5775 -30.3251 -4.90791 15.5977 -4.9079 -3.803 GPRESSAVG: 2900800 -4.05206 11.4794 14.2396 12.1611 -29.4245 -3.09355 14.4386 -6.17098 -2.90368 TIMING: 2900800 CPU: 9168.09, 0.0031482/step Wall: 9168.09, 0.0031482/step, 1.83575 hours remaining, 237.332031 MB of memory in use. ENERGY: 2900800 3953.2419 20571.7321 14528.9847 254.1929 -203818.3175 2882.4781 0.0000 0.0000 51835.0782 -109792.6096 297.8969 -161627.6879 -109440.4968 298.9474 164.3366 193.9044 760876.8381 -12.2845 -12.1267 PRESSURE: 2901000 -66.5008 26.3996 -143.347 26.4006 63.0192 -47.9688 -143.346 -47.9686 -428.663 GPRESSURE: 2901000 13.2172 104.383 -130.307 -39.5261 52.6312 -54.736 -38.5618 61.8989 -402.512 PRESSAVG: 2901000 -57.1593 5.77293 24.1117 5.77297 10.6681 -34.793 24.1117 -34.7931 -2.94754 GPRESSAVG: 2901000 -56.7895 6.07476 24.7587 3.89451 10.9685 -37.8079 25.274 -32.8176 -3.4164 TIMING: 2901000 CPU: 9168.72, 0.00314973/step Wall: 9168.72, 0.00314972/step, 1.83646 hours remaining, 237.332031 MB of memory in use. ENERGY: 2901000 4012.2741 20566.5564 14527.5658 239.0462 -203442.8088 2459.8809 0.0000 0.0000 52006.8230 -109630.6625 298.8839 -161637.4854 -109269.5809 299.2789 -144.0482 -112.2214 759914.1229 -16.4796 -16.4125 PRESSURE: 2901200 -169.002 70.6559 -166.441 70.6553 -362.899 21.9263 -166.44 21.927 -545.337 GPRESSURE: 2901200 -136.219 112.304 -155.481 130.657 -340.831 -77.3957 -16.2431 107.064 -526.176 PRESSAVG: 2901200 -19.1261 32.4099 -19.3829 32.41 0.753636 -0.0266328 -19.3828 -0.0265425 -12.4637 GPRESSAVG: 2901200 -19.3552 30.678 -19.1363 32.9407 0.13871 2.7644 -18.2882 -0.663862 -11.4254 TIMING: 2901200 CPU: 9169.35, 0.00313895/step Wall: 9169.35, 0.00313895/step, 1.83001 hours remaining, 237.332031 MB of memory in use. ENERGY: 2901200 3974.3319 20470.1508 14490.1648 242.5049 -203279.4149 2395.8017 0.0000 0.0000 51831.1143 -109875.3465 297.8741 -161706.4609 -109513.1120 298.7991 -359.0794 -334.4087 761269.6989 -10.2787 -10.2140 PRESSURE: 2901400 497.812 -24.3899 128.195 -24.3894 253.575 233.986 128.195 233.986 -80.7613 GPRESSURE: 2901400 538.295 -38.7604 128.811 34.1522 288.828 235.672 215.352 47.9146 -76.1909 PRESSAVG: 2901400 -36.3894 -1.78719 43.8692 -1.78724 19.1239 25.9219 43.8693 25.922 -32.5055 GPRESSAVG: 2901400 -36.5572 -0.438473 43.4672 -1.526 19.9178 24.8461 42.2028 24.3924 -32.9375 TIMING: 2901400 CPU: 9169.98, 0.00315098/step Wall: 9169.98, 0.00315098/step, 1.83685 hours remaining, 237.332031 MB of memory in use. ENERGY: 2901400 3942.4684 20613.4877 14425.0352 248.5780 -203801.4619 2699.8230 0.0000 0.0000 51766.6070 -110105.4626 297.5034 -161872.0695 -109752.0282 298.7856 223.5422 250.3108 761276.9989 -16.5903 -16.5256 PRESSURE: 2901600 44.9295 15.5113 -165.098 15.5115 373.384 -220.347 -165.098 -220.347 201.942 GPRESSURE: 2901600 95.7984 -21.735 -236.88 112.809 278.057 -155.281 -207.582 -137.818 330.127 PRESSAVG: 2901600 -0.674304 -9.60418 34.7483 -9.60409 -18.2914 -16.9712 34.7483 -16.9712 12.9865 GPRESSAVG: 2901600 -1.40548 -9.23464 34.2305 -9.24274 -17.8521 -16.5635 35.7736 -16.8058 13.4166 TIMING: 2901600 CPU: 9170.6, 0.00312883/step Wall: 9170.6, 0.00312883/step, 1.82376 hours remaining, 237.332031 MB of memory in use. ENERGY: 2901600 3948.0150 20438.4934 14399.2614 258.0527 -203512.5038 2477.7219 0.0000 0.0000 51873.2853 -110117.6741 298.1165 -161990.9594 -109749.9812 298.2917 206.7519 234.6609 758811.6743 -1.9931 -1.9470 PRESSURE: 2901800 37.148 -158.918 98.7721 -158.917 -9.50104 -233.499 98.7726 -233.499 -144.143 GPRESSURE: 2901800 32.535 -128.827 94.1702 -232.311 48.448 -238.561 112.014 -283.773 -147.653 PRESSAVG: 2901800 -16.5405 -0.727654 -6.29489 -0.727567 52.3763 -14.7179 -6.29492 -14.718 -0.627539 GPRESSAVG: 2901800 -15.23 -0.106241 -6.48126 -2.59531 51.1045 -15.2372 -7.41179 -14.8175 -0.0321365 TIMING: 2901800 CPU: 9171.24, 0.00316822/step Wall: 9171.24, 0.00316822/step, 1.84654 hours remaining, 237.332031 MB of memory in use. ENERGY: 2901800 3973.1117 20393.2673 14437.0342 262.1926 -203419.6333 2447.0089 0.0000 0.0000 51874.8253 -110032.1932 298.1253 -161907.0185 -109673.9134 298.3365 -38.8321 -22.2234 759121.2558 11.7361 11.9475 PRESSURE: 2902000 93.691 -106.849 10.6864 -106.85 -64.9961 74.4858 10.6858 74.4856 -4.0939 GPRESSURE: 2902000 88.1185 9.44221 -28.0639 -140.376 9.77867 46.5391 -29.7225 40.2692 8.90173 PRESSAVG: 2902000 -25.4085 -2.48259 -64.6742 -2.48258 21.6163 -32.5311 -64.6742 -32.531 37.1775 GPRESSAVG: 2902000 -24.0378 -3.2863 -64.1507 -0.207058 21.2977 -33.5006 -62.136 -30.6588 36.262 TIMING: 2902000 CPU: 9171.87, 0.00314881/step Wall: 9171.87, 0.00314881/step, 1.83506 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2902000 3997.9357 20474.1240 14422.0338 246.1976 -203351.2679 2409.6051 0.0000 0.0000 51833.5934 -109967.7782 297.8884 -161801.3716 -109607.5502 298.1900 8.2003 35.5996 759702.4128 11.1284 11.1739 PRESSURE: 2902200 275.936 83.5781 64.0592 83.5783 -45.1265 -129.115 64.0589 -129.115 -94.4639 GPRESSURE: 2902200 243.938 109.655 -63.5472 38.8208 83.4227 -105.692 -87.8563 -164.873 -108.941 PRESSAVG: 2902200 64.9534 -38.8024 3.42737 -38.8025 -16.2953 -2.25835 3.42731 -2.25827 -13.0505 GPRESSAVG: 2902200 63.4887 -37.7978 3.91404 -38.6256 -15.4063 -4.11197 0.547412 -2.36115 -12.6281 TIMING: 2902200 CPU: 9172.49, 0.00312662/step Wall: 9172.49, 0.00312662/step, 1.82195 hours remaining, 237.332031 MB of memory in use. ENERGY: 2902200 4023.7101 20378.9309 14455.3499 211.4698 -203435.1483 2699.7510 0.0000 0.0000 51768.4348 -109897.5018 297.5139 -161665.9366 -109537.1108 298.2871 45.4487 72.8067 759823.8211 11.8692 11.8181 PRESSURE: 2902400 -172.809 -124.061 72.1632 -124.061 -365.612 -30.8663 72.1626 -30.8676 -74.5447 GPRESSURE: 2902400 -129.114 -136.798 83.3207 -96.3283 -344.426 -6.85734 25.6418 30.1399 -53.8952 PRESSAVG: 2902400 -14.626 65.2899 -30.1887 65.2899 6.37415 -14.8335 -30.1887 -14.8335 7.40069 GPRESSAVG: 2902400 -14.1168 64.1215 -30.4579 63.996 6.78068 -10.2703 -29.9433 -14.9993 7.45484 TIMING: 2902400 CPU: 9173.12, 0.00314124/step Wall: 9173.12, 0.00314124/step, 1.8303 hours remaining, 237.332031 MB of memory in use. ENERGY: 2902400 4079.4256 20570.2317 14446.5970 242.3689 -203383.9977 2282.9115 0.0000 0.0000 51804.3803 -109958.0827 297.7205 -161762.4630 -109596.8245 298.3559 -204.3221 -175.8115 760788.9408 -0.2837 0.0396 PRESSURE: 2902600 -45.7333 -95.7158 -14.9262 -95.7163 -83.9782 1.46564 -14.9261 1.46659 -333.048 GPRESSURE: 2902600 1.22196 -44.2248 -14.3826 -55.6364 -35.7516 -18.6571 -12.1375 -36.4053 -346.835 PRESSAVG: 2902600 -12.4008 2.15453 -24.0907 2.1545 24.164 21.469 -24.0908 21.469 -11.9742 GPRESSAVG: 2902600 -12.3748 1.22197 -23.3322 3.91861 23.4005 20.0432 -24.846 21.4641 -10.97 TIMING: 2902600 CPU: 9173.76, 0.00317184/step Wall: 9173.76, 0.00317184/step, 1.84795 hours remaining, 237.332031 MB of memory in use. ENERGY: 2902600 4002.6142 20587.7266 14372.4087 236.1390 -203473.7113 2507.2070 0.0000 0.0000 51871.6942 -109895.9215 298.1073 -161767.6158 -109537.5328 298.4915 -154.2531 -127.1214 759456.7849 -0.0704 0.0186 PRESSURE: 2902800 -99.597 -175.607 -51.5939 -175.606 -190.956 250.899 -51.5931 250.9 -18.3907 GPRESSURE: 2902800 -43.111 -87.1585 -60.6496 -61.7763 -136.56 260.072 6.10247 96.717 -51.1585 PRESSAVG: 2902800 -76.6754 5.0775 13.6114 5.07754 65.5972 20.4048 13.6114 20.4049 -10.3594 GPRESSAVG: 2902800 -77.283 5.43612 13.2294 1.34388 66.5086 18.9838 15.3943 19.4291 -10.8567 TIMING: 2902800 CPU: 9174.38, 0.00313789/step Wall: 9174.38, 0.00313789/step, 1.82799 hours remaining, 237.332031 MB of memory in use. ENERGY: 2902800 4020.5001 20477.6417 14389.1796 268.2001 -203881.6561 2549.7146 0.0000 0.0000 52244.8068 -109931.6132 300.2516 -162176.4200 -109568.4548 298.6704 -102.9814 -76.9431 759704.2548 -7.1458 -7.2104 PRESSURE: 2903000 -40.6708 98.5 6.41228 98.4995 650.002 60.5035 6.41201 60.5039 -87.5811 GPRESSURE: 2903000 55.0934 155.912 -80.8399 154.025 601.928 5.83508 107.191 -152.367 -70.2226 PRESSAVG: 2903000 -60.8433 8.635 -6.48434 8.63503 61.9954 -4.22878 -6.48433 -4.22878 -14.7425 GPRESSAVG: 2903000 -59.978 6.83249 -5.09599 10.8158 61.2809 -4.23786 -6.76681 -3.89499 -15.1937 TIMING: 2903000 CPU: 9175.01, 0.00315402/step Wall: 9175.01, 0.00315402/step, 1.83722 hours remaining, 237.332031 MB of memory in use. ENERGY: 2903000 3879.2099 20432.7411 14425.5085 251.3761 -203616.8660 2635.9756 0.0000 0.0000 52057.0790 -109934.9758 299.1727 -161992.0548 -109563.4572 298.5364 173.9166 195.5995 759782.6711 -4.5302 -4.6303 PRESSURE: 2903200 -473.786 69.1392 62.7016 69.1389 -86.4893 -267.526 62.7012 -267.526 -190.705 GPRESSURE: 2903200 -449.705 80.1537 35.1426 -2.88339 0.924278 -233.299 82.6964 -280.298 -221.419 PRESSAVG: 2903200 -38.9684 18.2021 14.1377 18.2021 25.5831 22.128 14.1378 22.128 20.5962 GPRESSAVG: 2903200 -39.1744 21.7954 13.4123 16.6246 24.7241 20.9159 12.2788 22.5544 21.8588 TIMING: 2903200 CPU: 9175.64, 0.00314203/step Wall: 9175.64, 0.00314203/step, 1.83006 hours remaining, 237.332031 MB of memory in use. ENERGY: 2903200 3948.3824 20409.0139 14363.1272 250.2609 -203444.9954 2625.5382 0.0000 0.0000 51900.1352 -109948.5376 298.2708 -161848.6729 -109585.1835 298.6048 -250.3267 -223.3997 762089.6724 2.4036 2.4695 PRESSURE: 2903400 -145.592 -11.9418 -117.762 -11.9422 -215.066 134.256 -117.761 134.257 -113.212 GPRESSURE: 2903400 -107.549 -142.398 -109.129 43.6165 -176.262 71.845 -91.106 163.511 -102.561 PRESSAVG: 2903400 -43.6922 -8.87676 -35.0095 -8.87675 1.36928 -6.68806 -35.0095 -6.68804 -21.8173 GPRESSAVG: 2903400 -44.2155 -10.3975 -36.4812 -6.81844 2.49304 -6.57023 -34.9831 -7.07202 -22.1307 TIMING: 2903400 CPU: 9176.27, 0.00313254/step Wall: 9176.27, 0.00313254/step, 1.82436 hours remaining, 237.332031 MB of memory in use. ENERGY: 2903400 3958.6492 20516.6187 14430.6088 230.2987 -203617.9105 2509.5316 0.0000 0.0000 51930.9733 -110041.2303 298.4480 -161972.2036 -109682.2844 298.2469 -157.9566 -128.7905 762438.3522 -21.3801 -21.2844 PRESSURE: 2903600 -262.74 88.6337 -106.739 88.6336 -69.169 -78.6924 -106.739 -78.6925 14.251 GPRESSURE: 2903600 -200.641 -11.3484 -72.0125 1.19415 -33.5289 -91.6119 -114.641 -231.563 -10.3957 PRESSAVG: 2903600 -18.3042 -8.40915 -7.22782 -8.40912 49.2117 -17.5165 -7.22778 -17.5165 -2.80433 GPRESSAVG: 2903600 -19.5633 -9.57999 -6.56314 -9.59357 49.8381 -17.0278 -3.43096 -19.0077 -1.98831 TIMING: 2903600 CPU: 9176.89, 0.00312396/step Wall: 9176.89, 0.00312396/step, 1.81918 hours remaining, 237.332031 MB of memory in use. ENERGY: 2903600 3986.4932 20533.1899 14350.7842 237.1547 -203454.8137 2416.9763 0.0000 0.0000 51829.6571 -110100.5583 297.8658 -161930.2154 -109740.3060 298.2199 -105.8860 -81.5220 760729.1210 9.3677 9.4288 PRESSURE: 2903800 263.265 197.206 9.09675 197.205 -161.773 9.98014 9.09639 9.98034 -13.8025 GPRESSURE: 2903800 284.86 76.3005 -89.1132 185.349 -114.399 40.5492 -60.7055 -30.1967 -6.66598 PRESSAVG: 2903800 -28.0446 -7.29787 34.7996 -7.29797 32.9014 -66.173 34.7996 -66.173 -18.2427 GPRESSAVG: 2903800 -27.9879 -7.66766 33.4227 -6.27894 31.7421 -64.3552 33.5362 -65.6969 -16.7864 TIMING: 2903800 CPU: 9177.52, 0.00313694/step Wall: 9177.52, 0.00313694/step, 1.82657 hours remaining, 237.332031 MB of memory in use. ENERGY: 2903800 3976.0842 20511.8835 14417.4960 234.8088 -204086.5274 2861.6307 0.0000 0.0000 52030.1594 -110054.4647 299.0180 -162084.6242 -109689.0135 297.9719 29.2297 54.5984 760580.4939 -4.4620 -4.3441 PRESSURE: 2904000 -158.08 -383.324 99.1464 -383.325 67.9476 15.6943 99.1475 15.694 346.964 GPRESSURE: 2904000 -8.21273 -300.216 52.3088 -414.584 6.05858 66.1907 16.0777 69.0011 349.711 PRESSAVG: 2904000 -1.66822 -24.6684 18.1871 -24.6683 -58.7222 30.528 18.1871 30.528 17.145 GPRESSAVG: 2904000 -0.820495 -22.9092 19.2147 -24.2281 -58.0505 29.1368 18.5595 31.6704 16.1565 TIMING: 2904000 CPU: 9178.15, 0.00313039/step Wall: 9178.15, 0.00313039/step, 1.82258 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2904000 3945.5263 20468.6916 14413.2200 243.2848 -203856.5213 2935.3918 0.0000 0.0000 51883.2613 -109967.1455 298.1738 -161850.4068 -109615.2070 298.6395 85.6105 115.8524 760866.3411 -14.4151 -14.2382 PRESSURE: 2904200 36.1309 66.6832 81.2013 66.6825 179.979 18.3975 81.2018 18.3968 469.858 GPRESSURE: 2904200 165.065 55.0145 100.01 196.717 97.3341 -0.292931 10.6433 -50.7859 498.812 PRESSAVG: 2904200 -2.18988 -33.5522 -12.2236 -33.5522 -10.0367 -69.2348 -12.2236 -69.2349 -16.583 GPRESSAVG: 2904200 -1.53254 -34.0442 -12.4866 -33.4888 -10.8053 -68.8267 -12.661 -68.8502 -16.226 TIMING: 2904200 CPU: 9178.77, 0.00313218/step Wall: 9178.77, 0.00313218/step, 1.82345 hours remaining, 237.332031 MB of memory in use. ENERGY: 2904200 3934.8781 20472.9892 14429.0738 246.9365 -203907.8433 2763.0305 0.0000 0.0000 52065.2020 -109995.7332 299.2194 -162060.9352 -109632.5484 298.6162 228.6558 253.7371 759546.3255 -9.6032 -9.5213 LDB: ============= START OF LOAD BALANCING ============== 9191.17 LDB: ============== END OF LOAD BALANCING =============== 9191.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9191.17 LDB: ============= START OF LOAD BALANCING ============== 9191.48 LDB: Largest compute 7032 load 0.032989 is 16.8% of average load 0.195962 LDB: Average compute 0.004402 is 2.2% of average load 0.195962 LDB: TIME 9191.49 LOAD: AVG 0.195962 MAX 0.219693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9191.49 LOAD: AVG 0.195962 MAX 0.219693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 9191.49 LOAD: AVG 0.195962 MAX 0.217791 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 9191.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9191.49 PRESSURE: 2904400 -170.309 161.559 -7.34106 161.56 -4.32875 -70.8604 -7.34095 -70.8621 -75.6669 GPRESSURE: 2904400 -112.659 149.093 0.0597541 199.686 7.74556 -33.108 -31.8629 -88.4095 -56.8639 PRESSAVG: 2904400 -66.2422 6.52878 6.99658 6.52878 66.1025 1.2834 6.99657 1.28337 -3.80289 GPRESSAVG: 2904400 -65.8853 4.74875 7.81351 6.57949 65.858 1.07527 6.36743 -0.111683 -4.14255 TIMING: 2904400 CPU: 9179.41, 0.00319437/step Wall: 9179.41, 0.00319437/step, 1.85948 hours remaining, 239.953125 MB of memory in use. ENERGY: 2904400 3956.0649 20326.5765 14390.4065 241.0451 -203882.8274 2642.7303 0.0000 0.0000 51993.8523 -110332.1518 298.8094 -162326.0040 -109970.5383 298.1802 -83.4349 -53.9258 760568.7012 -1.3142 -1.3899 PRESSURE: 2904600 159.608 -123.716 -13.7624 -123.716 69.2622 -205.342 -13.762 -205.342 -114.901 GPRESSURE: 2904600 211.646 -142.387 0.979134 -5.21599 92.5478 -154.199 -60.3275 -137.248 -96.6141 PRESSAVG: 2904600 -28.4503 -5.12118 -15.7388 -5.12119 14.7443 -63.1103 -15.7388 -63.1103 18.6528 GPRESSAVG: 2904600 -30.3687 -3.20132 -15.0636 -5.16816 16.1894 -62.4808 -13.7129 -63.0336 18.9668 TIMING: 2904600 CPU: 9180.04, 0.00315618/step Wall: 9180.04, 0.00315618/step, 1.83707 hours remaining, 240.023438 MB of memory in use. ENERGY: 2904600 3970.2195 20389.9954 14476.2415 236.8121 -203477.8825 2388.6578 0.0000 0.0000 51846.0401 -110169.9160 297.9599 -162015.9561 -109821.5103 297.9138 37.9900 69.1933 760475.2884 1.6489 1.5958 PRESSURE: 2904800 -201.417 153.332 86.4205 153.332 -87.6912 -113.483 86.4204 -113.483 573.119 GPRESSURE: 2904800 -173.824 144.127 114.737 126.895 -27.3451 -161.705 99.9339 -37.6151 582.751 PRESSAVG: 2904800 -9.78848 -15.4746 36.6322 -15.4746 23.6883 -36.7064 36.6323 -36.7064 -6.7112 GPRESSAVG: 2904800 -10.4606 -17.3895 33.3605 -15.4963 22.7932 -35.7155 38.5291 -36.8711 -5.3461 TIMING: 2904800 CPU: 9180.67, 0.0031276/step Wall: 9180.67, 0.0031276/step, 1.82026 hours remaining, 240.023438 MB of memory in use. ENERGY: 2904800 3967.3574 20426.7861 14401.4718 242.8059 -203583.5582 2647.4539 0.0000 0.0000 51848.7955 -110048.8874 297.9757 -161897.6830 -109697.5488 298.0940 94.6702 127.1939 759360.2194 2.3962 2.3288 PRESSURE: 2905000 -51.1834 -33.113 0.569374 -33.1129 -169.41 -80.2756 0.570231 -80.2748 40.3217 GPRESSURE: 2905000 -47.3204 -41.096 -26.735 -112.221 -63.1755 -133.97 -24.7876 -167.878 15.1924 PRESSAVG: 2905000 -5.21021 -52.526 -24.8184 -52.5259 5.93756 -69.0753 -24.8184 -69.0753 -11.8771 GPRESSAVG: 2905000 -3.65316 -51.6545 -21.5426 -52.8165 6.18947 -69.8532 -28.0745 -71.2611 -13.9521 TIMING: 2905000 CPU: 9181.3, 0.00315778/step Wall: 9181.3, 0.00315778/step, 1.83765 hours remaining, 240.023438 MB of memory in use. ENERGY: 2905000 3940.8255 20516.9620 14436.1489 243.6260 -203424.2363 2280.3711 0.0000 0.0000 52028.5110 -109977.7919 299.0086 -162006.3028 -109621.9044 298.3399 -60.0904 -31.7678 758030.3398 -3.7166 -3.8052 PRESSURE: 2905200 128.541 261.334 -276.289 261.334 -30.6685 -8.25801 -276.289 -8.25901 -400.427 GPRESSURE: 2905200 229.301 238.39 -227.951 252.707 -34.1769 23.3799 -253.317 -9.79157 -424.659 PRESSAVG: 2905200 2.03587 -9.06652 -37.4406 -9.06652 -4.48942 -9.89741 -37.4406 -9.89737 -25.0241 GPRESSAVG: 2905200 1.7712 -9.08633 -38.0103 -10.1249 -5.36444 -10.5289 -36.4484 -7.60654 -24.741 TIMING: 2905200 CPU: 9181.93, 0.00313654/step Wall: 9181.93, 0.00313654/step, 1.82512 hours remaining, 240.023438 MB of memory in use. ENERGY: 2905200 3925.7689 20473.2694 14518.9873 258.4470 -203598.8669 2431.3508 0.0000 0.0000 51979.2921 -110011.7515 298.7257 -161991.0435 -109646.7566 298.7915 -100.8514 -76.5115 759022.6586 -9.1592 -9.4447 PRESSURE: 2905400 -314.02 -426.079 251.927 -426.079 55.9392 -112.744 251.927 -112.744 -232.763 GPRESSURE: 2905400 -311.264 -409.327 240.812 -349.86 174.589 -83.2547 248.875 -15.9047 -266.277 PRESSAVG: 2905400 0.728703 28.9317 -42.4376 28.9316 12.6703 8.02161 -42.4376 8.02167 -15.1959 GPRESSAVG: 2905400 1.44769 29.8658 -43.7471 31.3295 13.0548 7.65801 -40.6551 8.71981 -15.1048 TIMING: 2905400 CPU: 9182.56, 0.00314557/step Wall: 9182.56, 0.00314557/step, 1.8302 hours remaining, 240.023438 MB of memory in use. ENERGY: 2905400 3934.1469 20584.2486 14508.9310 270.6666 -203469.2084 2306.5023 0.0000 0.0000 51709.8289 -110154.8841 297.1771 -161864.7130 -109812.2257 298.7366 -163.6148 -134.3173 759083.0857 -0.5989 -0.2008 PRESSURE: 2905600 -28.5286 25.0061 -69.5925 25.0058 88.2082 -90.7662 -69.5921 -90.768 25.3271 GPRESSURE: 2905600 74.9249 126.663 -115.048 16.7299 55.3886 -91.8357 -61.6056 19.9091 27.5941 PRESSAVG: 2905600 -39.4394 -10.7369 22.1187 -10.7369 52.3305 -66.5385 22.1188 -66.5385 -13.4115 GPRESSAVG: 2905600 -40.3481 -9.35767 24.1525 -10.1375 52.9742 -65.3005 19.2676 -68.0547 -12.9936 TIMING: 2905600 CPU: 9183.19, 0.00315783/step Wall: 9183.19, 0.00315783/step, 1.83715 hours remaining, 240.023438 MB of memory in use. ENERGY: 2905600 3876.8139 20404.7654 14510.3894 243.5985 -203562.6527 2347.8848 0.0000 0.0000 51753.4674 -110425.7333 297.4279 -162179.2007 -110063.1617 297.7101 28.3356 52.6359 757530.5345 -0.1735 -0.1225 PRESSURE: 2905800 29.4665 29.57 23.1328 29.5687 -24.6584 -22.8913 23.132 -22.8913 180.085 GPRESSURE: 2905800 74.5655 -22.9881 44.7298 -55.3899 -66.3123 -94.2434 36.9089 97.9995 262.123 PRESSAVG: 2905800 2.72651 9.76814 -7.68504 9.76807 1.44691 -17.5633 -7.68507 -17.5633 -24.1302 GPRESSAVG: 2905800 2.18961 8.60245 -7.2024 7.34627 1.87379 -18.5381 -6.95094 -17.8205 -24.3394 TIMING: 2905800 CPU: 9183.82, 0.00313265/step Wall: 9183.82, 0.00313265/step, 1.82233 hours remaining, 240.023438 MB of memory in use. ENERGY: 2905800 3916.4056 20490.4167 14324.7897 247.8808 -203600.9556 2266.5223 0.0000 0.0000 51920.8642 -110434.0763 298.3899 -162354.9405 -110076.1149 297.3863 61.6310 90.1255 757931.4656 -6.6523 -6.7587 PRESSURE: 2906000 116.876 -83.2406 146.541 -83.2397 259.112 -10.1119 146.541 -10.1114 5.39576 GPRESSURE: 2906000 192.998 -29.3732 125.558 -179.248 239.198 59.1203 212.963 16.7025 25.0249 PRESSAVG: 2906000 17.9002 4.85458 -6.60489 4.85464 -5.78412 27.0011 -6.60489 27.0011 -9.89791 GPRESSAVG: 2906000 19.03 4.75939 -7.44123 5.68797 -5.52191 26.6114 -4.86375 27.548 -11.2073 TIMING: 2906000 CPU: 9184.44, 0.00314398/step Wall: 9184.44, 0.00314398/step, 1.82875 hours remaining, 240.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2906000 3938.8806 20506.6250 14425.5827 260.3704 -203689.0563 2386.2241 0.0000 0.0000 51968.2560 -110203.1177 298.6623 -162171.3736 -109834.1796 297.9176 127.1279 152.4070 758245.5797 0.7394 0.7669 PRESSURE: 2906200 282.107 -29.1632 69.7731 -29.163 110.638 198.983 69.7734 198.984 90.8434 GPRESSURE: 2906200 277.165 -58.0441 4.04025 97.6708 154.206 106.525 -40.8906 126.432 124.22 PRESSAVG: 2906200 -14.9562 30.1154 -55.8234 30.1153 18.5315 4.56987 -55.8233 4.56987 4.99063 GPRESSAVG: 2906200 -15.828 30.3158 -56.5886 30.7989 18.6229 5.85347 -56.7303 5.23196 5.68218 TIMING: 2906200 CPU: 9185.08, 0.0031685/step Wall: 9185.08, 0.0031685/step, 1.84284 hours remaining, 240.023438 MB of memory in use. ENERGY: 2906200 3901.6643 20464.0422 14442.6575 238.1233 -203773.0098 2614.6174 0.0000 0.0000 51916.7467 -110195.1585 298.3663 -162111.9052 -109840.3424 297.5999 161.1962 185.1971 757335.7994 2.8553 2.8257 PRESSURE: 2906400 204.94 116.845 44.7938 116.845 210.506 27.4061 44.794 27.4054 178.138 GPRESSURE: 2906400 209.685 105.099 22.706 55.6162 263.437 13.3394 96.8518 47.2862 201.758 PRESSAVG: 2906400 28.0683 -11.2133 -19.5596 -11.2133 -44.6119 -28.3887 -19.5597 -28.3888 -3.03885 GPRESSAVG: 2906400 28.3336 -11.5209 -17.7642 -12.0368 -44.6876 -28.059 -20.4008 -30.7471 -3.16583 TIMING: 2906400 CPU: 9185.7, 0.00313501/step Wall: 9185.7, 0.00313501/step, 1.82318 hours remaining, 240.023438 MB of memory in use. ENERGY: 2906400 3899.8462 20486.8789 14490.6885 251.2185 -203920.6134 2593.8280 0.0000 0.0000 51986.1432 -110212.0102 298.7651 -162198.1534 -109846.0952 297.8801 197.8616 224.9600 758558.9932 -6.5275 -6.5066 PRESSURE: 2906600 -46.8579 89.3909 -259.788 89.3909 -109.76 -0.6265 -259.787 -0.628216 -104.431 GPRESSURE: 2906600 -48.3516 145.195 -200.231 9.59952 -51.8626 61.245 -306.201 11.915 -105.259 PRESSAVG: 2906600 11.0408 15.5462 -58.1426 15.5461 -38.5995 24.953 -58.1426 24.953 19.1502 GPRESSAVG: 2906600 11.7363 17.2684 -59.596 17.2158 -39.1034 23.5951 -57.1493 27.3433 18.2882 TIMING: 2906600 CPU: 9186.34, 0.00315753/step Wall: 9186.34, 0.00315753/step, 1.83611 hours remaining, 240.023438 MB of memory in use. ENERGY: 2906600 3960.3033 20563.3657 14457.0728 241.7982 -203556.4683 2277.8576 0.0000 0.0000 52163.4074 -109892.6634 299.7838 -162056.0708 -109523.0189 298.7296 -87.0163 -68.4910 760926.1929 -2.8028 -3.0263 PRESSURE: 2906800 -222.583 45.2849 75.3775 45.2859 -293.431 59.6216 75.3777 59.6208 -104.329 GPRESSURE: 2906800 -154.669 -5.96881 85.319 147.274 -335.088 39.3127 86.833 -32.3273 -47.8017 PRESSAVG: 2906800 53.2683 -3.74427 -50.3007 -3.74422 -13.5596 3.00077 -50.3007 3.00077 13.1124 GPRESSAVG: 2906800 53.8131 -5.49337 -50.5515 -4.39065 -13.7149 2.39102 -49.9303 3.06863 12.868 TIMING: 2906800 CPU: 9186.96, 0.00313505/step Wall: 9186.96, 0.00313505/step, 1.82286 hours remaining, 240.023438 MB of memory in use. ENERGY: 2906800 3970.6467 20531.1519 14407.2158 260.4526 -203339.5226 2531.6671 0.0000 0.0000 51608.7770 -110029.6115 296.5964 -161638.3885 -109677.5426 298.8128 -206.7812 -179.1861 760896.8686 17.6070 17.6554 PRESSURE: 2907000 226.209 305.204 152.997 305.205 43.8673 175.583 152.996 175.582 57.2613 GPRESSURE: 2907000 249.256 211.793 111.49 265.013 81.8753 136.978 -0.604398 93.1623 68.3674 PRESSAVG: 2907000 32.9914 60.8986 -6.76231 60.8986 -42.2293 38.4423 -6.76235 38.4422 1.14256 GPRESSAVG: 2907000 32.7363 63.2098 -7.06037 58.7383 -42.758 38.3757 -8.8713 37.6962 2.1901 TIMING: 2907000 CPU: 9187.59, 0.00313545/step Wall: 9187.59, 0.00313545/step, 1.82292 hours remaining, 240.023438 MB of memory in use. ENERGY: 2907000 3899.0858 20599.8995 14413.1888 251.6090 -203371.7772 2468.5137 0.0000 0.0000 51852.6862 -109886.7943 297.9981 -161739.4806 -109540.9487 298.3063 109.1124 133.1661 760630.4756 -2.6984 -2.6106 PRESSURE: 2907200 80.6212 87.1669 285.218 87.1672 -93.2064 -17.3412 285.218 -17.3409 -157.888 GPRESSURE: 2907200 151.608 65.8619 232.186 91.6319 -62.2002 -32.5246 332.261 -71.2899 -181.003 PRESSAVG: 2907200 61.0663 35.4286 15.3132 35.4286 -75.8522 67.9363 15.3132 67.9363 3.09736 GPRESSAVG: 2907200 59.6328 34.191 16.1068 37.0722 -74.7651 68.2311 15.8138 67.7206 2.97936 TIMING: 2907200 CPU: 9188.22, 0.00314171/step Wall: 9188.22, 0.00314171/step, 1.82638 hours remaining, 240.023438 MB of memory in use. ENERGY: 2907200 3965.8792 20528.5422 14490.5381 237.2801 -203638.4847 2522.0165 0.0000 0.0000 51816.7546 -110077.4740 297.7916 -161894.2286 -109717.2360 298.7180 -56.8244 -30.5319 761215.8408 -3.8962 -4.0510 PRESSURE: 2907400 -145.552 297.857 -178.997 297.856 114.485 108.17 -178.996 108.171 -175.337 GPRESSURE: 2907400 -139.166 155.472 -182.478 173.048 219.506 103.055 -125.578 57.9512 -183.499 PRESSAVG: 2907400 -23.0036 11.4805 4.84137 11.4805 28.8287 -10.4176 4.84138 -10.4177 -8.07344 GPRESSAVG: 2907400 -21.9905 11.928 3.63994 11.9337 27.9327 -9.44689 6.47684 -9.60535 -7.62827 TIMING: 2907400 CPU: 9188.85, 0.00313476/step Wall: 9188.85, 0.00313476/step, 1.82216 hours remaining, 240.023438 MB of memory in use. ENERGY: 2907400 4007.0118 20356.1993 14444.3963 246.8061 -203619.0923 2707.2176 0.0000 0.0000 52212.7809 -109644.6803 300.0676 -161857.4612 -109290.8160 298.7830 -68.8015 -34.3863 762010.6375 -0.7494 -0.5621 PRESSURE: 2907600 -61.4369 98.0528 16.5883 98.0526 -278.397 -133.711 16.5885 -133.711 -244.996 GPRESSURE: 2907600 -53.782 -11.3179 -0.672814 92.2864 -209.605 -136.195 24.8573 -161.798 -237.882 PRESSAVG: 2907600 5.03007 -10.4784 -36.0615 -10.4784 -1.40818 -18.209 -36.0615 -18.2091 -18.7322 GPRESSAVG: 2907600 4.59173 -13.731 -34.399 -11.3712 -1.14629 -19.0674 -37.7192 -18.7856 -18.0883 TIMING: 2907600 CPU: 9189.47, 0.00313846/step Wall: 9189.47, 0.00313847/step, 1.82415 hours remaining, 240.023438 MB of memory in use. ENERGY: 2907600 4003.9182 20670.2649 14468.3690 230.3379 -203427.0688 2634.6258 0.0000 0.0000 51891.5292 -109528.0237 298.2213 -161419.5529 -109175.5069 299.0548 -194.9433 -167.0896 762514.2864 -5.0368 -4.8810 PRESSURE: 2907800 44.3811 85.0439 -229.088 85.0438 -175.069 -346.826 -229.088 -346.826 -128.204 GPRESSURE: 2907800 82.6838 174.244 -164.557 213.034 -115.866 -397.314 -116.616 -116.371 -134.84 PRESSAVG: 2907800 -25.7887 65.1883 9.87797 65.1883 2.70412 11.9165 9.87792 11.9164 5.38274 GPRESSAVG: 2907800 -26.2613 65.8075 11.0554 66.3382 3.5681 12.8433 7.61978 13.419 4.5629 TIMING: 2907800 CPU: 9190.1, 0.00315726/step Wall: 9190.1, 0.00315726/step, 1.83489 hours remaining, 240.023438 MB of memory in use. ENERGY: 2907800 4081.5261 20483.6609 14419.7941 245.3691 -203035.1984 2472.5461 0.0000 0.0000 51817.5512 -109514.7509 297.7962 -161332.3021 -109158.8432 299.2680 -86.2976 -56.0075 762260.4823 -5.9006 -6.0434 PRESSURE: 2908000 160.756 107.547 45.9554 107.547 352.882 29.262 45.9551 29.2616 18.7828 GPRESSURE: 2908000 237.903 141.751 103.092 110.825 386.739 71.2677 -13.0404 -52.9796 13.1039 PRESSAVG: 2908000 -12.7991 5.28004 29.5575 5.27995 -53.6723 -36.8345 29.5575 -36.8345 -20.5002 GPRESSAVG: 2908000 -11.5788 7.05608 28.4085 5.55311 -54.6667 -38.8281 30.1861 -38.1557 -21.0554 TIMING: 2908000 CPU: 9190.74, 0.00316093/step Wall: 9190.74, 0.00316093/step, 1.83685 hours remaining, 240.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2908000 3976.0303 20603.8985 14443.4233 243.7253 -203297.6620 2872.1114 0.0000 0.0000 51824.7738 -109333.6994 297.8377 -161158.4732 -108981.7786 299.9546 177.4737 212.5822 762893.4992 -28.9905 -29.1003 PRESSURE: 2908200 -115.133 -70.6526 -50.2333 -70.6518 -150.636 97.7956 -50.233 97.7963 189.313 GPRESSURE: 2908200 -113.717 64.9093 -92.2776 8.3095 -62.253 37.0126 -21.1925 176.907 187.254 PRESSAVG: 2908200 25.3398 -23.4862 -5.99009 -23.4862 20.1401 -1.13732 -5.9901 -1.13731 24.2914 GPRESSAVG: 2908200 25.4821 -23.5172 -6.6231 -21.3863 19.1092 0.860493 -5.63803 -2.79783 25.2751 TIMING: 2908200 CPU: 9191.37, 0.00315034/step Wall: 9191.37, 0.00315034/step, 1.83052 hours remaining, 240.023438 MB of memory in use. ENERGY: 2908200 4015.9360 20417.0505 14481.0136 246.8316 -203061.2702 2393.2970 0.0000 0.0000 52025.6962 -109481.4453 298.9924 -161507.1415 -109117.4935 299.6316 -25.4855 3.7615 761510.5239 23.2571 23.2888 LDB: ============= START OF LOAD BALANCING ============== 9203.77 LDB: ============== END OF LOAD BALANCING =============== 9203.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9203.77 LDB: ============= START OF LOAD BALANCING ============== 9204.08 LDB: Largest compute 7078 load 0.032085 is 16.4% of average load 0.196078 LDB: Average compute 0.004396 is 2.2% of average load 0.196078 LDB: TIME 9204.09 LOAD: AVG 0.196078 MAX 0.220202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.832 MB LDB: TIME 9204.09 LOAD: AVG 0.196078 MAX 0.220202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: TIME 9204.09 LOAD: AVG 0.196078 MAX 0.220202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: ============== END OF LOAD BALANCING =============== 9204.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9204.09 PRESSURE: 2908400 -68.8746 0.891904 -122.096 0.891291 123.126 145.501 -122.096 145.5 62.9446 GPRESSURE: 2908400 -13.7152 36.4416 -193.655 17.4826 123.236 58.426 -123.43 70.4179 103.365 PRESSAVG: 2908400 -61.8197 2.86119 -25.4909 2.8612 35.9465 -45.634 -25.4909 -45.634 -3.34496 GPRESSAVG: 2908400 -63.2526 2.0146 -25.546 0.751379 36.9893 -45.5423 -26.0145 -42.6517 -2.74221 TIMING: 2908400 CPU: 9192.01, 0.00322328/step Wall: 9192.01, 0.00322328/step, 1.87273 hours remaining, 237.640625 MB of memory in use. ENERGY: 2908400 4033.2974 20336.0666 14433.9628 232.3807 -203484.9172 2841.1749 0.0000 0.0000 51985.0614 -109622.9734 298.7589 -161608.0348 -109265.8779 299.4538 39.0652 70.9618 762938.4671 -9.7394 -9.6685 PRESSURE: 2908600 258.352 -168.37 90.3977 -168.37 219.084 60.889 90.3974 60.8876 -164.825 GPRESSURE: 2908600 241.743 -110.457 -3.48268 -83.7199 246.108 96.1564 141.303 9.03074 -74.8124 PRESSAVG: 2908600 -1.46664 -19.8235 18.3087 -19.8234 -3.07421 26.0048 18.3088 26.0049 12.518 GPRESSAVG: 2908600 -0.503552 -21.0407 18.1234 -20.0409 -2.09774 26.982 19.0236 23.7362 10.4366 TIMING: 2908600 CPU: 9192.64, 0.00316525/step Wall: 9192.64, 0.00316525/step, 1.83884 hours remaining, 237.640625 MB of memory in use. ENERGY: 2908600 3952.0240 20335.9435 14402.9188 234.7464 -203832.0116 2935.9646 0.0000 0.0000 52168.8532 -109801.5611 299.8151 -161970.4144 -109435.0005 298.8700 104.2038 137.6794 760906.0123 2.6590 2.6118 PRESSURE: 2908800 -259.787 -57.3768 231.507 -57.3762 -196.075 -10.0129 231.508 -10.0121 -309.718 GPRESSURE: 2908800 -325.434 -176.874 207.406 69.9123 -76.0168 1.20262 84.5975 -76.5195 -293.502 PRESSAVG: 2908800 -71.6341 -36.2698 16.9986 -36.2698 51.513 31.4168 16.9986 31.4168 -14.2047 GPRESSAVG: 2908800 -71.8007 -34.824 18.1475 -37.0073 50.5888 29.8412 17.206 30.6064 -13.0482 TIMING: 2908800 CPU: 9193.28, 0.00315507/step Wall: 9193.28, 0.00315507/step, 1.83274 hours remaining, 237.640625 MB of memory in use. ENERGY: 2908800 4016.9110 20489.2316 14455.7735 270.5243 -202901.4537 2305.6553 0.0000 0.0000 51582.5333 -109780.8248 296.4455 -161363.3581 -109434.6652 298.4811 -255.1934 -231.6509 761457.5708 -11.4419 -11.4200 PRESSURE: 2909000 -132.125 -281.059 -69.1163 -281.058 -89.3508 -128.996 -69.1152 -128.997 310.852 GPRESSURE: 2909000 -160.006 -181.112 18.1618 -254.122 44.4722 -96.7532 -136.389 -148.298 296.837 PRESSAVG: 2909000 -26.7281 -18.0039 22.5466 -18.0039 7.3542 18.3638 22.5466 18.3638 -3.85643 GPRESSAVG: 2909000 -26.9554 -18.3103 20.4892 -17.4501 8.51872 18.9551 24.158 18.4671 -4.26586 TIMING: 2909000 CPU: 9193.91, 0.00315744/step Wall: 9193.91, 0.00315744/step, 1.83395 hours remaining, 237.640625 MB of memory in use. ENERGY: 2909000 3948.3515 20511.7125 14397.1121 241.3645 -203524.0003 2720.4758 0.0000 0.0000 52014.5268 -109690.4572 298.9282 -161704.9840 -109328.0819 298.7819 29.7922 60.4345 759083.8170 -7.7434 -7.5675 PRESSURE: 2909200 92.8829 58.764 218.104 58.7636 -128.747 226.178 218.104 226.179 319.077 GPRESSURE: 2909200 139.158 -72.6226 317.728 18.5449 -118.543 248.988 251.723 176.597 343.467 PRESSAVG: 2909200 2.144 -59.3773 -31.5811 -59.3772 9.01246 29.294 -31.5811 29.294 9.57762 GPRESSAVG: 2909200 2.10984 -58.0556 -31.8841 -58.7952 7.25894 28.4878 -31.089 29.5598 10.8169 TIMING: 2909200 CPU: 9194.54, 0.00316991/step Wall: 9194.54, 0.00316991/step, 1.84101 hours remaining, 237.640625 MB of memory in use. ENERGY: 2909200 3938.5962 20303.4622 14476.1698 244.6566 -203646.4602 2889.5850 0.0000 0.0000 52079.2657 -109714.7246 299.3003 -161793.9903 -109350.5234 299.2259 94.4044 121.3607 762030.1607 6.9114 6.7286 PRESSURE: 2909400 -83.6203 102.002 83.0946 102.001 85.2309 26.7761 83.0946 26.7767 -328.262 GPRESSURE: 2909400 40.803 -13.0285 75.1842 21.6763 68.5781 6.26985 46.5422 6.23441 -351.567 PRESSAVG: 2909400 -75.9362 34.5076 -10.2997 34.5077 53.1507 48.0355 -10.2997 48.0355 7.26494 GPRESSAVG: 2909400 -76.9868 34.3954 -8.53058 33.891 54.9254 48.2977 -11.5865 49.8991 6.38828 TIMING: 2909400 CPU: 9195.17, 0.00316842/step Wall: 9195.17, 0.00316842/step, 1.83997 hours remaining, 237.640625 MB of memory in use. ENERGY: 2909400 3976.9188 20596.0635 14424.7600 248.4316 -203454.9916 2309.0799 0.0000 0.0000 52073.1200 -109826.6179 299.2649 -161899.7379 -109475.3786 298.7783 -108.8838 -80.7286 760463.2086 -5.1735 -5.2244 PRESSURE: 2909600 -145.73 25.276 -58.0096 25.2766 -392.59 22.2128 -58.0096 22.2127 -277.304 GPRESSURE: 2909600 -222.574 -74.2203 -47.9932 -35.8272 -279.659 0.690213 52.4109 15.3366 -230.419 PRESSAVG: 2909600 -44.7384 0.888548 30.3118 0.888548 54.1273 0.562754 30.3118 0.562762 -13.361 GPRESSAVG: 2909600 -43.6181 -0.869095 29.5245 -1.21297 52.4591 -0.80975 29.9022 -0.23436 -13.301 TIMING: 2909600 CPU: 9195.81, 0.00316049/step Wall: 9195.81, 0.00316049/step, 1.83519 hours remaining, 237.640625 MB of memory in use. ENERGY: 2909600 3948.6435 20565.0756 14371.7656 246.5334 -203515.7593 2372.3214 0.0000 0.0000 52056.4019 -109955.0180 299.1689 -162011.4199 -109587.3683 298.7941 -271.8747 -244.2171 759933.6423 -1.3240 -1.4867 PRESSURE: 2909800 241.287 -279.633 -112.406 -279.634 112.769 145.008 -112.406 145.01 -456.755 GPRESSURE: 2909800 250.701 -144.555 -78.7032 -283.984 87.1799 166.925 -90.9377 122.594 -350.977 PRESSAVG: 2909800 6.96025 7.78432 -18.692 7.78433 -40.5771 1.56061 -18.6921 1.56066 4.31204 GPRESSAVG: 2909800 5.19817 11.4803 -19.7586 9.3128 -38.9275 2.0881 -18.587 0.923599 4.31682 TIMING: 2909800 CPU: 9196.44, 0.00316176/step Wall: 9196.44, 0.00316176/step, 1.83575 hours remaining, 237.640625 MB of memory in use. ENERGY: 2909800 4012.7881 20600.8372 14463.2412 246.1460 -203490.3884 2241.7207 0.0000 0.0000 51876.6470 -110049.0081 298.1358 -161925.6551 -109693.4275 298.0412 -34.2328 -4.3654 760768.3703 -9.7683 -9.8042 PRESSURE: 2910000 -174.821 -51.6606 2.41585 -51.6602 59.0479 -19.6463 2.41558 -19.6456 11.5784 GPRESSURE: 2910000 -100.897 14.465 94.6948 -80.412 119.613 29.1853 22.5433 21.2546 -24.7571 PRESSAVG: 2910000 -37.6858 -14.9202 -8.80479 -14.9201 21.4246 23.3548 -8.80479 23.3548 -25.0231 GPRESSAVG: 2910000 -36.9688 -15.1991 -8.23547 -15.4378 20.9013 24.2472 -8.57986 23.0558 -25.2966 TIMING: 2910000 CPU: 9197.08, 0.00319198/step Wall: 9197.08, 0.00319198/step, 1.85312 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2910000 3944.3139 20627.0952 14480.5627 249.7357 -203104.2157 2163.3779 0.0000 0.0000 51686.0300 -109953.1002 297.0403 -161639.1302 -109584.0261 298.2635 -34.7315 -2.0136 761394.2579 -13.7614 -13.7880 PRESSURE: 2910200 348.81 54.8149 -60.2385 54.8148 -168.962 96.7368 -60.2375 96.7377 135.2 GPRESSURE: 2910200 347.834 87.1385 -91.1717 75.5689 -163.803 71.4916 -128.134 114.333 219.726 PRESSAVG: 2910200 0.19357 -36.5517 19.5811 -36.5517 46.6967 36.9861 19.5812 36.986 1.24789 GPRESSAVG: 2910200 -0.333825 -38.8515 18.6647 -35.7935 46.691 38.0333 22.9286 37.4307 1.9042 TIMING: 2910200 CPU: 9197.71, 0.00317513/step Wall: 9197.71, 0.00317513/step, 1.84316 hours remaining, 237.640625 MB of memory in use. ENERGY: 2910200 4025.1820 20639.2305 14433.1185 239.2305 -203665.0601 2521.8285 0.0000 0.0000 51930.6135 -109875.8565 298.4459 -161806.4700 -109519.0088 298.8329 105.0159 134.5854 760338.8007 16.0461 16.0871 PRESSURE: 2910400 75.0271 8.33796 -78.4102 8.3368 245.621 -157.905 -78.4095 -157.904 -98.4519 GPRESSURE: 2910400 70.9454 6.30552 -39.3111 -19.9605 272.306 -267.208 -35.841 -93.8806 -42.889 PRESSAVG: 2910400 -24.0593 -24.9068 33.182 -24.9069 16.9966 30.2201 33.182 30.22 9.90299 GPRESSAVG: 2910400 -24.1281 -23.5322 34.7207 -26.5744 17.1442 29.8581 28.1341 31.2458 9.44558 TIMING: 2910400 CPU: 9198.35, 0.00316177/step Wall: 9198.35, 0.00316177/step, 1.83523 hours remaining, 237.640625 MB of memory in use. ENERGY: 2910400 3924.7864 20678.9230 14439.5223 233.1055 -203706.9482 2526.8200 0.0000 0.0000 52057.3430 -109846.4481 299.1743 -161903.7911 -109472.4070 298.7752 74.0654 100.1207 760899.5183 0.9468 0.8205 PRESSURE: 2910600 142.244 239.557 27.3864 239.558 -119.992 -187.757 27.3854 -187.759 87.1381 GPRESSURE: 2910600 132.17 189.548 71.4297 197.303 -7.03431 -147.893 4.55352 -229.994 46.4572 PRESSAVG: 2910600 -16.7929 32.7307 -2.54602 32.7307 30.7589 28.0947 -2.54597 28.0947 20.3047 GPRESSAVG: 2910600 -15.792 30.4897 -3.86564 32.9693 30.2576 26.8031 1.10131 28.3634 19.9431 TIMING: 2910600 CPU: 9198.98, 0.00318095/step Wall: 9198.98, 0.00318095/step, 1.84619 hours remaining, 237.640625 MB of memory in use. ENERGY: 2910600 3953.3608 20741.0785 14523.3171 246.9418 -203858.9771 2646.8643 0.0000 0.0000 52274.1488 -109473.2659 300.4203 -161747.4147 -109105.4093 299.3098 36.4632 57.1977 760767.8775 11.4236 11.4696 PRESSURE: 2910800 -191.621 -64.7054 -40.4964 -64.7058 -23.6491 -306.097 -40.497 -306.097 261.475 GPRESSURE: 2910800 -48.1468 6.61114 -54.8097 -67.4024 -66.7231 -202.684 -50.9372 -270.352 230.877 PRESSAVG: 2910800 -79.1119 -26.1332 9.51957 -26.1332 74.1713 -8.07818 9.51954 -8.07815 -24.2393 GPRESSAVG: 2910800 -79.993 -24.7484 9.82752 -24.3357 74.2758 -7.5267 8.93529 -9.16433 -24.1774 TIMING: 2910800 CPU: 9199.62, 0.0031724/step Wall: 9199.62, 0.0031724/step, 1.84105 hours remaining, 237.640625 MB of memory in use. ENERGY: 2910800 4019.9876 20668.3172 14505.0278 217.3243 -203540.5250 2584.7358 0.0000 0.0000 52089.3053 -109455.8269 299.3580 -161545.1322 -109095.6160 299.5479 15.4018 38.6692 762713.6665 -9.7266 -9.9649 PRESSURE: 2911000 -60.5706 -161.005 144.955 -161.005 8.96638 28.8664 144.955 28.8657 -22.6145 GPRESSURE: 2911000 29.9315 -63.9704 160.78 -273.364 50.6454 3.3714 147.755 15.099 -72.1873 PRESSAVG: 2911000 -63.2774 -25.2338 -9.40102 -25.2338 67.2394 -11.7845 -9.40107 -11.7845 -1.60872 GPRESSAVG: 2911000 -62.3415 -25.5067 -7.68127 -24.1667 67.9603 -12.1161 -10.1521 -8.9887 -3.50397 TIMING: 2911000 CPU: 9200.25, 0.00316627/step Wall: 9200.25, 0.00316627/step, 1.83732 hours remaining, 237.640625 MB of memory in use. ENERGY: 2911000 4001.7632 20739.0907 14421.1030 256.5322 -203595.0775 2955.9895 0.0000 0.0000 51917.4060 -109303.1928 298.3700 -161220.5989 -108942.5819 299.6125 -24.7396 2.7965 763766.4686 0.7844 0.7049 PRESSURE: 2911200 -24.358 102.414 -110.297 102.414 -299.071 -246.119 -110.297 -246.119 -5.34187 GPRESSURE: 2911200 -69.6647 -62.7435 -204.625 219.701 -213.498 -268.48 -56.8092 -236.471 34.4686 PRESSAVG: 2911200 -16.4894 7.99291 -2.02629 7.99288 42.2313 29.4539 -2.02632 29.4539 -3.67851 GPRESSAVG: 2911200 -17.2171 7.57458 -2.95995 5.97195 40.8293 28.4236 -1.22208 27.7759 -1.19437 TIMING: 2911200 CPU: 9200.88, 0.00314703/step Wall: 9200.88, 0.00314703/step, 1.82598 hours remaining, 237.640625 MB of memory in use. ENERGY: 2911200 3990.1793 20699.8794 14384.5497 251.2616 -203337.5608 2504.6467 0.0000 0.0000 52232.9696 -109274.0745 300.1836 -161507.0441 -108919.1238 299.9739 -109.5903 -82.8980 762828.3793 7.3545 7.4726 PRESSURE: 2911400 -299.627 -88.333 -175.111 -88.3325 -327.832 37.3011 -175.111 37.3011 -349.784 GPRESSURE: 2911400 -383.162 -84.5577 -64.1472 -43.2123 -273.195 67.0363 -247.321 28.1412 -237.716 PRESSAVG: 2911400 -18.1955 -33.1936 -46.3844 -33.1936 -24.4867 10.7592 -46.3844 10.7593 20.0324 GPRESSAVG: 2911400 -19.0607 -33.1507 -44.1097 -32.4103 -23.5883 13.4679 -47.7056 10.4892 19.2479 TIMING: 2911400 CPU: 9201.51, 0.00315939/step Wall: 9201.51, 0.00315939/step, 1.83297 hours remaining, 237.640625 MB of memory in use. ENERGY: 2911400 3957.8759 20715.3317 14479.2068 240.8774 -203219.8834 2449.7982 0.0000 0.0000 51990.1950 -109386.5984 298.7884 -161376.7934 -109019.9758 299.9104 -325.7477 -298.0244 764044.2522 -7.5499 -7.8004 PRESSURE: 2911600 -123.671 -40.0412 -228.955 -40.0411 166.27 -324.51 -228.955 -324.511 -9.10995 GPRESSURE: 2911600 35.8103 -104.591 -215.072 -121.995 123.451 -373.795 -314.687 -472.715 -45.0852 PRESSAVG: 2911600 18.4836 -38.2237 -32.258 -38.2237 -19.8269 24.1699 -32.258 24.1699 -1.48116 GPRESSAVG: 2911600 19.6372 -37.1565 -32.6846 -39.1616 -19.123 23.0545 -31.9165 22.6678 -2.8453 TIMING: 2911600 CPU: 9202.14, 0.00315059/step Wall: 9202.14, 0.00315059/step, 1.82769 hours remaining, 237.640625 MB of memory in use. ENERGY: 2911600 4013.6123 20692.2219 14435.8809 245.9920 -203876.8180 2929.1223 0.0000 0.0000 51976.1965 -109583.7922 298.7079 -161559.9887 -109230.4144 299.6823 11.1629 38.0588 761962.5837 -0.9415 -0.7770 PRESSURE: 2911800 199.618 83.9765 151.656 83.9767 -114.1 -235.785 151.655 -235.785 4.75343 GPRESSURE: 2911800 278.054 113.335 187.848 87.7937 -117.53 -262.294 22.2669 -183.973 -16.4801 PRESSAVG: 2911800 2.90038 23.6206 -16.8632 23.6206 38.6171 -39.5993 -16.8632 -39.5993 20.9544 GPRESSAVG: 2911800 2.25932 22.6093 -18.5878 24.9262 37.0551 -40.874 -16.8201 -39.8428 23.1452 TIMING: 2911800 CPU: 9202.78, 0.00317926/step Wall: 9202.78, 0.00317926/step, 1.84415 hours remaining, 237.640625 MB of memory in use. ENERGY: 2911800 4054.3333 20689.7463 14455.6006 241.2360 -203522.3802 2629.8426 0.0000 0.0000 52048.3507 -109403.2707 299.1226 -161451.6213 -109042.3528 299.5145 30.0905 48.0147 761683.8738 20.8239 20.8199 PRESSURE: 2912000 213.264 27.311 -42.4571 27.3103 21.7654 -15.7773 -42.4576 -15.778 -42.2339 GPRESSURE: 2912000 247.762 111.941 -109.023 58.306 1.72566 87.2615 -30.0613 -93.8915 22.6918 PRESSAVG: 2912000 -12.3469 -48.5585 64.2343 -48.5586 -37.376 -12.5338 64.2343 -12.5338 -2.79397 GPRESSAVG: 2912000 -13.1443 -48.5469 65.8104 -47.0959 -37.4607 -11.6382 65.4616 -10.3786 -2.63583 TIMING: 2912000 CPU: 9203.41, 0.00316728/step Wall: 9203.41, 0.00316728/step, 1.83702 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2912000 3997.8007 20803.7331 14438.4256 265.8916 -203428.3023 2585.6887 0.0000 0.0000 51976.7142 -109360.0484 298.7109 -161336.7625 -109003.8100 300.0933 64.2651 90.7266 761407.7753 -17.5056 -17.7469 PRESSURE: 2912200 -67.7693 79.41 -176.025 79.4097 -30.907 -4.71548 -176.025 -4.71489 -136.217 GPRESSURE: 2912200 -39.4161 72.2292 -171.399 7.44449 5.31104 7.47229 -142.238 12.957 -137.31 PRESSAVG: 2912200 39.4992 -31.9016 0.20054 -31.9016 -30.3264 -17.5173 0.20058 -17.5173 -0.729773 GPRESSAVG: 2912200 39.5988 -31.0048 0.750458 -34.7271 -29.084 -18.0013 -1.46604 -19.6675 -2.16075 TIMING: 2912200 CPU: 9204.04, 0.00316824/step Wall: 9204.04, 0.00316824/step, 1.8374 hours remaining, 237.640625 MB of memory in use. ENERGY: 2912200 4010.0101 20597.2405 14415.8894 241.0892 -203171.9413 2480.5239 0.0000 0.0000 51927.3058 -109499.8823 298.4269 -161427.1881 -109134.2831 299.4118 -78.2977 -57.1383 761033.1326 2.8143 2.7847 LDB: ============= START OF LOAD BALANCING ============== 9216.44 LDB: ============== END OF LOAD BALANCING =============== 9216.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9216.44 LDB: ============= START OF LOAD BALANCING ============== 9216.76 LDB: Largest compute 7025 load 0.032775 is 16.7% of average load 0.196025 LDB: Average compute 0.004419 is 2.3% of average load 0.196025 LDB: TIME 9216.76 LOAD: AVG 0.196025 MAX 0.21457 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.434 MB LDB: TIME 9216.76 LOAD: AVG 0.196025 MAX 0.21457 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: TIME 9216.76 LOAD: AVG 0.196025 MAX 0.21457 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: ============== END OF LOAD BALANCING =============== 9216.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9216.77 PRESSURE: 2912400 -6.39861 -158.946 153.471 -158.946 -188.576 -166.693 153.471 -166.693 261.747 GPRESSURE: 2912400 6.18467 -98.6043 203.947 -17.8519 -99.6688 -183.121 110.216 -86.6634 244.057 PRESSAVG: 2912400 32.3871 -4.70327 -3.49197 -4.70325 -17.1728 -51.1692 -3.49197 -51.1691 27.8119 GPRESSAVG: 2912400 32.2285 -7.24864 -4.42182 -3.1102 -16.6206 -53.8046 -0.0658604 -50.7854 27.3612 TIMING: 2912400 CPU: 9204.68, 0.00320264/step Wall: 9204.68, 0.00320264/step, 1.85718 hours remaining, 239.503906 MB of memory in use. ENERGY: 2912400 3951.0888 20450.7132 14409.8435 246.2132 -203422.4155 2597.4894 0.0000 0.0000 52287.8871 -109479.1802 300.4992 -161767.0673 -109109.9153 299.7899 22.2573 50.1910 760656.8736 14.3421 14.3230 PRESSURE: 2912600 22.8478 -299.834 -168.016 -299.834 -126.793 -227.288 -168.015 -227.289 -149.713 GPRESSURE: 2912600 33.2437 -373.003 -203.463 -194.19 -68.1218 -245.703 -286.726 -173.311 -135.847 PRESSAVG: 2912600 -13.4233 -75.5935 -25.8565 -75.5935 41.9882 45.3316 -25.8566 45.3316 -21.3193 GPRESSAVG: 2912600 -13.0916 -73.1533 -27.0978 -76.5205 40.9753 46.6956 -28.6563 45.9291 -20.8021 TIMING: 2912600 CPU: 9205.32, 0.00316269/step Wall: 9205.32, 0.00316268/step, 1.83383 hours remaining, 239.574219 MB of memory in use. ENERGY: 2912600 4017.3172 20553.1216 14446.0896 251.9943 -203468.6595 2471.8992 0.0000 0.0000 52260.9729 -109467.2645 300.3445 -161728.2375 -109106.7158 299.6863 -84.5528 -56.9084 761277.0544 2.4152 2.3605 PRESSURE: 2912800 -130.721 -77.4288 132.234 -77.4287 223.57 -170.313 132.234 -170.312 279.037 GPRESSURE: 2912800 -13.5342 -39.2351 105.755 64.3222 200.375 -224.088 36.9381 -165.841 277.268 PRESSAVG: 2912800 8.20049 -64.8473 21.1727 -64.8473 -2.78736 11.2465 21.1727 11.2465 -3.80963 GPRESSAVG: 2912800 6.86785 -68.519 22.0364 -65.3076 -1.78719 12.5757 23.1317 9.74722 -3.00071 TIMING: 2912800 CPU: 9205.95, 0.00317072/step Wall: 9205.95, 0.00317072/step, 1.83831 hours remaining, 239.574219 MB of memory in use. ENERGY: 2912800 3998.7713 20487.8823 14399.3728 241.4501 -203426.8498 2659.6400 0.0000 0.0000 52106.7236 -109533.0098 299.4581 -161639.7334 -109169.4708 299.7204 123.9621 154.7028 760213.8101 0.5345 0.6933 PRESSURE: 2913000 -53.5796 -130.865 108.308 -130.865 -22.579 -121.052 108.308 -121.053 -106.161 GPRESSURE: 2913000 53.7913 -98.6021 116.296 -105.644 -51.7419 -89.9763 78.0603 -40.9844 -95.2516 PRESSAVG: 2913000 31.5441 -24.1641 14.0184 -24.1642 3.07142 55.0932 14.0184 55.0932 2.12009 GPRESSAVG: 2913000 33.0669 -20.1758 13.3838 -22.7134 2.75403 53.2547 13.3158 55.6065 1.43833 TIMING: 2913000 CPU: 9206.59, 0.00317281/step Wall: 9206.59, 0.00317281/step, 1.83935 hours remaining, 239.574219 MB of memory in use. ENERGY: 2913000 4033.0998 20474.5973 14431.6106 235.9082 -202913.6719 2286.2121 0.0000 0.0000 51919.5153 -109532.7285 298.3822 -161452.2439 -109172.9729 299.1467 -60.7732 -31.0674 759860.0943 12.2452 12.4198 PRESSURE: 2913200 -354.282 -119.666 -106.399 -119.667 -163.77 65.6728 -106.4 65.6743 174.371 GPRESSURE: 2913200 -297.924 -143.275 -167.308 -204.332 -92.7386 75.1076 -16.6751 -102.797 159.398 PRESSAVG: 2913200 -10.1655 1.6348 -77.5736 1.63479 16.6029 -3.70355 -77.5736 -3.70344 13.0366 GPRESSAVG: 2913200 -9.11228 -1.53451 -77.5206 1.48965 16.2629 -2.55912 -76.8084 -4.44931 11.6657 TIMING: 2913200 CPU: 9207.22, 0.00315677/step Wall: 9207.22, 0.00315677/step, 1.82987 hours remaining, 239.574219 MB of memory in use. ENERGY: 2913200 3942.7703 20542.1050 14398.0723 237.0228 -203567.0979 2477.5661 0.0000 0.0000 52372.5013 -109597.0601 300.9855 -161969.5614 -109229.0039 299.0729 -114.5601 -77.0885 759135.4391 6.4914 6.2721 PRESSURE: 2913400 -381.434 -141.862 -169.496 -141.862 -21.047 123.006 -169.497 123.006 96.519 GPRESSURE: 2913400 -320.808 -252.569 -257.317 -116.281 69.8121 194.896 -86.7601 57.5885 32.7721 PRESSAVG: 2913400 45.2665 -40.4784 -2.09122 -40.4785 -16.8008 -17.7585 -2.09124 -17.7586 -26.3298 GPRESSAVG: 2913400 44.186 -38.8643 -1.94536 -39.4518 -17.3216 -18.1423 -5.52431 -16.1602 -24.745 TIMING: 2913400 CPU: 9207.85, 0.00316844/step Wall: 9207.85, 0.00316844/step, 1.83646 hours remaining, 239.574219 MB of memory in use. ENERGY: 2913400 3986.1335 20480.9532 14412.5444 254.3749 -203239.2455 2353.5187 0.0000 0.0000 52051.5154 -109700.2054 299.1408 -161751.7208 -109336.0805 299.0146 -101.9873 -72.7413 760866.8428 0.7120 0.7065 PRESSURE: 2913600 93.2623 59.5059 -73.4847 59.5051 -153.221 -308.217 -73.4845 -308.217 140.695 GPRESSURE: 2913600 146.739 40.4225 24.5772 25.8556 -151.792 -238.643 -49.0442 -237.173 154.225 PRESSAVG: 2913600 88.8705 -1.98264 -46.3864 -1.98258 -56.8474 -36.7483 -46.3864 -36.7482 10.5778 GPRESSAVG: 2913600 88.3741 -1.82147 -47.9564 -2.56963 -56.3185 -35.6301 -43.3107 -37.0822 9.89081 TIMING: 2913600 CPU: 9208.49, 0.00318404/step Wall: 9208.49, 0.00318404/step, 1.84533 hours remaining, 239.574219 MB of memory in use. ENERGY: 2913600 4044.4417 20521.4601 14458.1536 266.2790 -203776.0636 2607.1612 0.0000 0.0000 52101.4189 -109777.1490 299.4276 -161878.5679 -109410.7565 299.0691 26.9124 49.7242 761014.3927 14.2003 13.9821 PRESSURE: 2913800 -188.403 -9.55026 -62.7948 -9.5502 -515.778 -67.0445 -62.7947 -67.0443 -56.4899 GPRESSURE: 2913800 -229.691 -19.9041 -120.163 -107.246 -444.294 -49.7006 -41.1212 -74.2386 -5.20297 PRESSAVG: 2913800 51.6792 12.2363 -45.5445 12.2363 -65.1717 18.0878 -45.5445 18.0878 10.4779 GPRESSAVG: 2913800 52.3579 12.5993 -46.0338 10.5259 -65.9333 18.51 -44.0406 16.6638 10.2068 TIMING: 2913800 CPU: 9209.12, 0.00316863/step Wall: 9209.12, 0.00316863/step, 1.83622 hours remaining, 239.574219 MB of memory in use. ENERGY: 2913800 4055.7869 20255.2056 14507.5178 224.7792 -203177.2573 2203.4154 0.0000 0.0000 52090.2972 -109840.2553 299.3637 -161930.5525 -109480.7453 299.0310 -253.5570 -226.3961 759690.2754 -1.0048 -1.1229 PRESSURE: 2914000 -111.489 -116.113 -84.1615 -116.113 53.3436 -255.858 -84.1618 -255.86 333.657 GPRESSURE: 2914000 -125.298 -213.348 -120.632 -181.128 147.713 -176.852 52.0244 -197.696 325.303 PRESSAVG: 2914000 -17.0471 4.54294 6.28237 4.54294 -27.4491 27.8927 6.28235 27.8926 28.9563 GPRESSAVG: 2914000 -18.0495 3.76959 8.46649 5.71901 -26.7274 25.5747 4.8136 30.2158 28.5674 TIMING: 2914000 CPU: 9209.75, 0.00317084/step Wall: 9209.75, 0.00317084/step, 1.83733 hours remaining, 239.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2914000 3908.0260 20534.2199 14433.6594 261.0078 -203308.6883 2274.8481 0.0000 0.0000 51979.9359 -109916.9913 298.7294 -161896.9272 -109551.1912 298.1560 91.8373 115.9059 760395.2339 -5.1800 -5.4032 PRESSURE: 2914200 528.669 127.502 -82.2554 127.502 241.272 167.5 -82.2546 167.502 429.363 GPRESSURE: 2914200 567.892 138.443 -46.3487 86.9745 182.389 123.817 -70.3312 159.546 526.055 PRESSAVG: 2914200 28.7714 -46.089 -22.3779 -46.0891 -6.07108 -19.1786 -22.3779 -19.1786 7.32231 GPRESSAVG: 2914200 28.2862 -46.4876 -22.6746 -47.1687 -6.68698 -18.9181 -21.5834 -20.4697 8.15819 TIMING: 2914200 CPU: 9210.39, 0.00315943/step Wall: 9210.39, 0.00315943/step, 1.83054 hours remaining, 239.574219 MB of memory in use. ENERGY: 2914200 3936.2216 20408.4931 14408.5714 238.7555 -203534.6013 2494.9639 0.0000 0.0000 51871.4249 -110176.1710 298.1058 -162047.5958 -109814.4944 297.8192 399.7677 425.4455 760525.5597 10.0075 9.9191 PRESSURE: 2914400 -224.174 -47.1072 -100.323 -47.1076 82.9064 175.272 -100.323 175.273 -242.623 GPRESSURE: 2914400 -150.591 22.8031 -189.121 -104.677 7.71701 161.215 -79.6727 220.753 -152.873 PRESSAVG: 2914400 11.0722 5.14719 -11.7441 5.14717 40.2564 -2.41236 -11.7441 -2.41248 6.50581 GPRESSAVG: 2914400 11.1697 8.08694 -12.4274 5.48645 40.4209 -2.62164 -10.4904 -0.682949 6.191 TIMING: 2914400 CPU: 9211.02, 0.00314833/step Wall: 9211.02, 0.00314833/step, 1.82393 hours remaining, 239.574219 MB of memory in use. ENERGY: 2914400 3979.6468 20603.7029 14426.7873 273.0577 -203563.7598 2396.0907 0.0000 0.0000 51680.4074 -110204.0670 297.0080 -161884.4743 -109846.1268 297.9065 -127.9634 -98.5822 759604.8746 19.2781 19.2605 PRESSURE: 2914600 62.986 -10.9009 -9.61119 -10.9003 -232.197 -105.07 -9.61123 -105.071 -57.2058 GPRESSURE: 2914600 88.7211 -57.255 83.8721 -77.6216 -172.333 -149.884 -66.4938 -137.733 -62.5535 PRESSAVG: 2914600 1.40797 -21.1562 7.46963 -21.1562 28.0092 14.2432 7.46964 14.2433 2.43684 GPRESSAVG: 2914600 0.818043 -24.4141 7.36611 -21.4815 27.8514 13.9172 6.25958 13.0749 2.54706 TIMING: 2914600 CPU: 9211.65, 0.00315022/step Wall: 9211.65, 0.00315022/step, 1.82485 hours remaining, 239.574219 MB of memory in use. ENERGY: 2914600 3954.4976 20489.8998 14473.0964 248.7562 -203655.0046 2447.1240 0.0000 0.0000 51982.7917 -110058.8389 298.7458 -162041.6306 -109697.6193 297.7696 -75.4721 -48.7216 760701.1333 10.6180 10.4055 PRESSURE: 2914800 183.787 -215.007 -6.91547 -215.007 91.2615 -120.785 -6.9155 -120.784 -211.016 GPRESSURE: 2914800 173.255 -91.3603 -21.1687 -182.092 125.023 -68.6342 -126.219 -82.392 -159.388 PRESSAVG: 2914800 18.5238 -9.83274 -11.9832 -9.83277 -35.6607 -0.134451 -11.9832 -0.134397 21.0806 GPRESSAVG: 2914800 18.9117 -9.10294 -11.2295 -9.12456 -36.6044 0.0868384 -13.4527 -1.64145 22.1398 TIMING: 2914800 CPU: 9212.27, 0.00313842/step Wall: 9212.27, 0.00313842/step, 1.81784 hours remaining, 239.574219 MB of memory in use. ENERGY: 2914800 3981.3408 20399.3232 14440.0806 239.8664 -203490.2366 2427.9071 0.0000 0.0000 52165.8798 -109835.8387 299.7980 -162001.7185 -109466.4519 298.4772 21.3442 46.2967 762576.4098 1.3145 1.4824 PRESSURE: 2915000 115.327 152.784 -119.451 152.784 -129.526 -151.749 -119.451 -151.749 531.136 GPRESSURE: 2915000 166.293 121.739 -160.362 35.2439 -145.4 -58.4728 -43.3133 -244.311 587.108 PRESSAVG: 2915000 27.9357 -11.5168 24.3986 -11.5169 -33.9798 38.509 24.3986 38.5091 11.4955 GPRESSAVG: 2915000 28.1587 -11.3115 25.2533 -11.3102 -33.7227 39.8543 25.5376 38.6125 11.1223 TIMING: 2915000 CPU: 9212.91, 0.00316209/step Wall: 9212.91, 0.00316209/step, 1.83138 hours remaining, 239.574219 MB of memory in use. ENERGY: 2915000 4010.7066 20521.3395 14394.2476 234.0634 -203440.5430 2501.6576 0.0000 0.0000 52096.8728 -109681.6555 299.4014 -161778.5283 -109326.8736 298.1678 172.3127 202.6670 760525.7933 1.8171 1.8527 PRESSURE: 2915200 37.5253 166.627 -109.359 166.627 -18.3661 66.4847 -109.359 66.4854 255.439 GPRESSURE: 2915200 140.576 115.311 -42.5414 160.64 7.03669 -32.4382 -93.7711 -20.6341 200.68 PRESSAVG: 2915200 81.2394 13.6612 7.07813 13.6612 -39.8399 -12.1769 7.0781 -12.1769 -4.85627 GPRESSAVG: 2915200 80.5894 12.2752 6.69343 11.9389 -38.5934 -11.8638 4.66296 -12.9367 -5.44435 TIMING: 2915200 CPU: 9213.54, 0.00316124/step Wall: 9213.54, 0.00316124/step, 1.83071 hours remaining, 239.574219 MB of memory in use. ENERGY: 2915200 3866.8583 20403.8108 14500.1529 256.2026 -204166.9004 3222.3599 0.0000 0.0000 52263.4762 -109654.0398 300.3589 -161917.5160 -109281.1164 298.7550 91.5327 116.0975 760499.1586 12.1811 12.1839 PRESSURE: 2915400 -76.9439 -20.6287 127.438 -20.6289 -6.35745 -45.3223 127.438 -45.3231 -311.214 GPRESSURE: 2915400 -10.0834 79.5649 -0.753107 55.237 -7.40852 -22.8176 112.511 -19.8682 -291.59 PRESSAVG: 2915400 24.3961 43.8675 7.46518 43.8675 -66.4038 -31.0644 7.46514 -31.0644 4.6073 GPRESSAVG: 2915400 24.928 44.3321 7.57541 43.5304 -67.2452 -33.3344 9.11766 -31.1259 4.74148 TIMING: 2915400 CPU: 9214.17, 0.00316787/step Wall: 9214.17, 0.00316787/step, 1.83437 hours remaining, 239.574219 MB of memory in use. ENERGY: 2915400 3954.3505 20516.4810 14511.5331 249.5741 -203343.9180 2523.3030 0.0000 0.0000 52176.3264 -109412.3499 299.8581 -161588.6763 -109038.4337 299.3170 -131.5052 -103.0274 760849.7002 -12.4668 -12.5252 PRESSURE: 2915600 165.897 -153.137 -139.234 -153.136 -75.2491 269.448 -139.234 269.447 91.3052 GPRESSURE: 2915600 209.185 -185.406 -118.709 -1.84104 -44.6559 305.41 -33.1952 149.974 100.875 PRESSAVG: 2915600 0.00652284 -15.3592 -34.0703 -15.3591 -22.162 68.9006 -34.0703 68.9006 6.82596 GPRESSAVG: 2915600 0.712014 -14.6138 -35.7138 -13.456 -21.8263 70.2824 -35.1328 68.3329 6.47245 TIMING: 2915600 CPU: 9214.81, 0.00318282/step Wall: 9214.81, 0.00318282/step, 1.84285 hours remaining, 239.574219 MB of memory in use. ENERGY: 2915600 3899.4077 20580.3995 14499.0208 239.4734 -203099.0633 2316.8440 0.0000 0.0000 52205.3165 -109358.6013 300.0247 -161563.9178 -108999.1471 299.4113 60.6509 88.4679 761462.2759 -5.1098 -4.8806 PRESSURE: 2915800 -207.626 258.452 102.795 258.451 -20.2568 -88.3069 102.796 -88.3084 -232.029 GPRESSURE: 2915800 -223.98 256.715 144.439 278.322 117.864 -131.268 14.4432 -162.404 -247.264 PRESSAVG: 2915800 4.32023 -2.94 -24.884 -2.94002 -28.5946 -30.7398 -24.884 -30.7398 -6.26091 GPRESSAVG: 2915800 4.22976 -2.23364 -23.9386 -4.40252 -28.3504 -32.9752 -22.5407 -29.456 -7.12524 TIMING: 2915800 CPU: 9215.44, 0.00315343/step Wall: 9215.44, 0.00315343/step, 1.82566 hours remaining, 239.574219 MB of memory in use. ENERGY: 2915800 3976.4749 20443.0135 14521.0960 257.7803 -203502.7354 2637.0672 0.0000 0.0000 52252.9280 -109414.3755 300.2983 -161667.3035 -109052.9522 299.4362 -153.3038 -117.7933 760271.9387 -10.1784 -10.4153 PRESSURE: 2916000 -280.337 103.572 -128.886 103.571 -291.294 190.506 -128.887 190.506 -172.519 GPRESSURE: 2916000 -234.014 67.8128 -161.095 -4.38142 -239.709 239.743 25.3127 175.124 -186.617 PRESSAVG: 2916000 5.20129 -27.05 -24.359 -27.0499 3.31004 -16.3474 -24.3589 -16.3475 23.133 GPRESSAVG: 2916000 4.1314 -28.6265 -23.6342 -27.3314 3.08555 -14.2652 -27.9094 -17.203 23.9809 TIMING: 2916000 CPU: 9216.07, 0.00315853/step Wall: 9216.07, 0.00315853/step, 1.82844 hours remaining, 239.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2916000 3995.5261 20546.4631 14470.0557 250.9153 -203103.4195 2368.4930 0.0000 0.0000 52080.5065 -109391.4597 299.3074 -161471.9663 -109034.8568 299.8471 -248.0499 -220.1132 760053.1382 10.5481 10.3993 PRESSURE: 2916200 -283.517 -84.0477 -13.5987 -84.0476 108.044 -34.2167 -13.5998 -34.2166 134.829 GPRESSURE: 2916200 -214.794 -38.4816 43.8825 -13.1549 115.324 -17.9186 -85.1615 9.80097 131.804 PRESSAVG: 2916200 -13.4209 -16.9708 4.87712 -16.9709 6.33072 -9.68891 4.87717 -9.68898 -22.6817 GPRESSAVG: 2916200 -13.3524 -16.4962 2.87607 -16.5413 6.97816 -9.7738 7.28652 -8.71991 -23.0615 TIMING: 2916200 CPU: 9216.71, 0.00316929/step Wall: 9216.71, 0.00316929/step, 1.83449 hours remaining, 239.574219 MB of memory in use. ENERGY: 2916200 3970.8300 20447.4595 14470.7034 250.2039 -203012.6809 2452.9148 0.0000 0.0000 52158.6433 -109261.9261 299.7564 -161420.5694 -108901.5481 299.5881 -13.5480 10.7783 760448.8414 -9.9240 -9.8119 LDB: ============= START OF LOAD BALANCING ============== 9229.11 LDB: ============== END OF LOAD BALANCING =============== 9229.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9229.11 LDB: ============= START OF LOAD BALANCING ============== 9229.43 LDB: Largest compute 7036 load 0.033607 is 17.1% of average load 0.196005 LDB: Average compute 0.004395 is 2.2% of average load 0.196005 LDB: TIME 9229.43 LOAD: AVG 0.196005 MAX 0.21632 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.754 MB LDB: TIME 9229.43 LOAD: AVG 0.196005 MAX 0.21632 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: TIME 9229.43 LOAD: AVG 0.196005 MAX 0.21632 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: ============== END OF LOAD BALANCING =============== 9229.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9229.44 PRESSURE: 2916400 -205.859 141.479 -285.99 141.48 127.427 166.532 -285.99 166.533 -271.166 GPRESSURE: 2916400 -143.855 176.238 -267.868 144.673 154.869 133.843 -358.348 109.769 -274.394 PRESSAVG: 2916400 -15.8588 20.0274 -57.3681 20.0273 14.8275 -11.341 -57.3681 -11.341 -34.2611 GPRESSAVG: 2916400 -16.1234 20.9096 -56.5004 20.2089 13.9362 -12.1909 -57.0988 -10.3457 -32.5161 TIMING: 2916400 CPU: 9217.36, 0.00325204/step Wall: 9217.36, 0.00325204/step, 1.88221 hours remaining, 238.792969 MB of memory in use. ENERGY: 2916400 4054.4585 20527.6938 14386.3804 242.9350 -203283.4842 2372.9714 0.0000 0.0000 52246.4698 -109452.5754 300.2612 -161699.0451 -109086.0733 299.3924 -116.5328 -87.7933 760800.8696 -11.7641 -11.5678 PRESSURE: 2916600 -352.912 -35.2358 -217.422 -35.2373 -306.588 -150.728 -217.422 -150.728 -5.39729 GPRESSURE: 2916600 -294.308 -8.89202 -235.867 -89.6714 -290.723 -243.358 -180.647 -17.1901 8.02784 PRESSAVG: 2916600 53.8862 53.3071 1.59314 53.3071 -44.2529 -20.276 1.59313 -20.2759 10.4627 GPRESSAVG: 2916600 55.4068 52.7158 2.03045 51.3243 -45.0525 -20.9754 1.22706 -19.2895 10.0902 TIMING: 2916600 CPU: 9217.99, 0.00317848/step Wall: 9217.99, 0.00317848/step, 1.83946 hours remaining, 238.792969 MB of memory in use. ENERGY: 2916600 4134.3522 20566.5109 14434.6688 236.6875 -203222.5404 2326.6705 0.0000 0.0000 52183.3204 -109340.3300 299.8983 -161523.6504 -108963.6281 299.6559 -221.6322 -192.3345 759083.0743 6.6987 6.8148 PRESSURE: 2916800 74.9536 94.3576 -49.5178 94.3581 -28.7376 422.598 -49.5167 422.598 -330.913 GPRESSURE: 2916800 83.9401 44.1017 -6.44265 58.2858 7.84179 445.621 -45.3943 320.349 -289.396 PRESSAVG: 2916800 17.7274 26.3952 33.571 26.3952 -19.4241 12.8328 33.571 12.8329 11.7903 GPRESSAVG: 2916800 17.37 24.9146 33.4724 27.7929 -19.7056 14.5576 32.6375 9.65912 12.51 TIMING: 2916800 CPU: 9218.63, 0.00321704/step Wall: 9218.63, 0.00321704/step, 1.8616 hours remaining, 238.792969 MB of memory in use. ENERGY: 2916800 4052.6819 20548.1782 14404.8928 262.5944 -203242.2082 2504.6042 0.0000 0.0000 52089.2823 -109379.9744 299.3578 -161469.2567 -109019.0612 299.7221 -94.8989 -65.8713 761111.1597 3.3645 3.3914 PRESSURE: 2917000 16.5177 -32.5803 -132.696 -32.58 -112.462 -53.8571 -132.696 -53.8587 -141.506 GPRESSURE: 2917000 -30.3897 -134.807 -182.124 -10.7368 7.73668 -131.675 -103.399 -39.73 -125.58 PRESSAVG: 2917000 20.4316 -12.3441 -78.1257 -12.3442 10.7415 29.2288 -78.1258 29.2287 2.13558 GPRESSAVG: 2917000 20.4582 -10.6882 -78.0963 -12.7635 11.0753 27.71 -75.7684 30.1547 1.52553 TIMING: 2917000 CPU: 9219.27, 0.00318499/step Wall: 9219.27, 0.00318499/step, 1.84287 hours remaining, 238.792969 MB of memory in use. ENERGY: 2917000 4090.0322 20662.0119 14416.8170 238.0115 -203030.0339 2322.3400 0.0000 0.0000 52018.2162 -109282.6051 298.9494 -161300.8214 -108930.0047 299.7973 -79.1501 -49.4108 762046.1143 11.1029 11.0197 PRESSURE: 2917200 -240.401 16.5226 -103.477 16.5228 -134.538 -116.966 -103.476 -116.966 98.4166 GPRESSURE: 2917200 -165.596 77.9376 -128.752 14.0834 -148.127 -91.6598 0.423519 -24.2229 144.075 PRESSAVG: 2917200 -17.1601 -41.9767 -28.0872 -41.9767 -25.94 28.7596 -28.0872 28.7596 7.48164 GPRESSAVG: 2917200 -17.5989 -42.1771 -27.9603 -41.8562 -26.3527 29.3688 -28.0605 29.2369 8.15052 TIMING: 2917200 CPU: 9219.91, 0.00317538/step Wall: 9219.91, 0.00317538/step, 1.83713 hours remaining, 238.792969 MB of memory in use. ENERGY: 2917200 3994.1489 20732.9229 14464.8116 255.7815 -203332.5639 2582.3981 0.0000 0.0000 51846.6828 -109455.8180 297.9636 -161302.5009 -109089.0808 299.1849 -92.1741 -56.5494 761421.7023 -11.8728 -11.9337 PRESSURE: 2917400 195.58 69.5398 -10.9147 69.5394 60.5071 191.02 -10.9147 191.02 303.686 GPRESSURE: 2917400 208.374 170.995 -100.298 118.509 60.3826 90.6604 -6.93056 192.058 374.944 PRESSAVG: 2917400 16.4257 15.3616 -16.9557 15.3616 -37.623 50.894 -16.9556 50.894 41.7441 GPRESSAVG: 2917400 17.7839 14.7448 -16.6708 16.5422 -37.7985 50.3122 -18.3201 50.499 40.5196 TIMING: 2917400 CPU: 9220.54, 0.00316509/step Wall: 9220.54, 0.00316509/step, 1.831 hours remaining, 238.792969 MB of memory in use. ENERGY: 2917400 3918.2937 20524.9096 14455.3418 251.0673 -203498.1810 2552.7705 0.0000 0.0000 52230.6180 -109565.1799 300.1701 -161795.7980 -109203.0498 299.0597 186.5911 214.5668 759872.5835 6.8489 6.8350 PRESSURE: 2917600 -173.006 115.279 14.536 115.278 -227.463 -173.833 14.536 -173.832 -84.3385 GPRESSURE: 2917600 -145.815 153.95 -29.9115 88.4489 -146.065 -157.784 -45.2758 -132.264 -90.978 PRESSAVG: 2917600 14.5792 35.3566 22.1726 35.3567 -12.3734 19.7715 22.1726 19.7715 -16.6403 GPRESSAVG: 2917600 14.6379 33.813 18.8886 34.5893 -12.297 21.0195 24.9299 19.6455 -16.3677 TIMING: 2917600 CPU: 9221.18, 0.00318762/step Wall: 9221.18, 0.00318762/step, 1.84386 hours remaining, 238.792969 MB of memory in use. ENERGY: 2917600 3967.5520 20622.8602 14358.1665 246.0513 -203174.9644 2373.3480 0.0000 0.0000 51892.6821 -109714.3042 298.2280 -161606.9863 -109359.6531 299.1320 -161.6022 -127.6192 761173.5214 -4.8115 -4.6756 PRESSURE: 2917800 154.589 64.5895 -187.426 64.5906 61.8264 -30.8501 -187.426 -30.8492 191.61 GPRESSURE: 2917800 184.522 26.8721 -199.661 70.2157 122.649 60.9943 -75.3681 20.025 192.839 PRESSAVG: 2917800 52.4803 0.83134 24.8684 0.831308 -64.6992 11.2216 24.8683 11.2215 -15.5847 GPRESSAVG: 2917800 51.4033 4.95349 25.9529 -0.59671 -64.0309 12.4331 24.0255 10.483 -15.0337 TIMING: 2917800 CPU: 9221.81, 0.00317099/step Wall: 9221.81, 0.00317099/step, 1.83407 hours remaining, 238.792969 MB of memory in use. ENERGY: 2917800 3878.4547 20473.5777 14440.1438 234.4427 -203320.1705 2777.2794 0.0000 0.0000 52081.5992 -109434.6730 299.3137 -161516.2722 -109061.9194 298.9408 136.0083 166.6703 760173.3533 -9.2679 -9.2204 PRESSURE: 2918000 -312.367 10.2442 381.407 10.2447 -8.5537 -70.7472 381.407 -70.7469 -272.703 GPRESSURE: 2918000 -229.091 -33.8039 371.763 -101.685 61.3926 -35.1071 342.693 -119.074 -324.374 PRESSAVG: 2918000 26.3032 28.6257 9.48017 28.6256 -22.4949 -35.1106 9.48015 -35.1106 -6.80158 GPRESSAVG: 2918000 26.5644 24.0417 10.1937 29.7975 -22.3932 -36.6491 8.81424 -32.9562 -7.01394 TIMING: 2918000 CPU: 9222.44, 0.00316448/step Wall: 9222.44, 0.00316448/step, 1.83013 hours remaining, 238.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2918000 3962.6515 20472.5965 14517.7636 245.2638 -203011.4671 2184.1815 0.0000 0.0000 52138.4296 -109490.5807 299.6403 -161629.0103 -109125.9134 299.2338 -197.8743 -164.0241 760970.2176 -0.9978 -0.9476 PRESSURE: 2918200 21.2159 30.0466 -18.8962 30.0463 -318.927 -50.2611 -18.8957 -50.2617 -113.752 GPRESSURE: 2918200 -51.9704 98.725 76.7914 41.5412 -188.37 -40.7244 -70.9475 -16.1498 -81.8234 PRESSAVG: 2918200 2.01177 17.5697 59.1372 17.5697 -29.9321 -0.729108 59.1372 -0.729102 6.58476 GPRESSAVG: 2918200 1.92586 19.4943 58.411 16.499 -29.5831 0.239807 59.7666 -3.00495 6.39422 TIMING: 2918200 CPU: 9223.07, 0.00315156/step Wall: 9223.07, 0.00315156/step, 1.82248 hours remaining, 238.792969 MB of memory in use. ENERGY: 2918200 4069.9721 20394.7609 14460.6883 251.2317 -203169.6332 2615.9354 0.0000 0.0000 51848.3255 -109528.7192 297.9730 -161377.0447 -109161.3691 299.2910 -137.1543 -107.3880 760735.8203 -7.1118 -7.0877 PRESSURE: 2918400 -235.662 -154.607 204.061 -154.607 394.689 -52.0279 204.062 -52.0284 53.7454 GPRESSURE: 2918400 -69.3263 -177.559 287.922 -133.692 355.944 -46.2009 271.388 -22.5957 16.4994 PRESSAVG: 2918400 30.9343 -6.69945 45.176 -6.69946 12.556 -32.5639 45.1761 -32.5639 0.471574 GPRESSAVG: 2918400 30.3332 -4.97599 47.5305 -5.72669 12.733 -34.2283 44.4466 -30.3802 1.40663 TIMING: 2918400 CPU: 9223.71, 0.00315535/step Wall: 9223.71, 0.00315535/step, 1.8245 hours remaining, 238.792969 MB of memory in use. ENERGY: 2918400 4028.1582 20378.7831 14442.6592 232.5747 -203539.1555 2537.5071 0.0000 0.0000 52494.9594 -109424.5137 301.6893 -161919.4732 -109052.2658 299.0549 70.9243 101.0390 759027.3038 14.6540 14.8243 PRESSURE: 2918600 234.352 113.029 -101.17 113.03 55.1995 15.3935 -101.171 15.393 -185.178 GPRESSURE: 2918600 181.99 101.423 -121.161 159.504 132.685 203.645 -124.483 -89.6521 -118.262 PRESSAVG: 2918600 -36.4771 -15.7141 20.1223 -15.7141 22.9757 -24.0824 20.1223 -24.0824 -5.41299 GPRESSAVG: 2918600 -36.9312 -15.9424 18.3719 -15.7072 22.8957 -20.7089 20.2561 -22.5589 -4.95314 TIMING: 2918600 CPU: 9224.33, 0.00314263/step Wall: 9224.33, 0.00314263/step, 1.81696 hours remaining, 238.792969 MB of memory in use. ENERGY: 2918600 3875.6654 20542.6245 14458.0133 247.8144 -203364.3591 2447.6369 0.0000 0.0000 52204.4699 -109588.1348 300.0198 -161792.6047 -109219.8948 299.1156 34.7911 65.4711 760968.7773 -6.3048 -6.3295 PRESSURE: 2918800 -230.838 87.0176 -113.609 87.0176 -56.5268 -125.221 -113.609 -125.221 -114.691 GPRESSURE: 2918800 -188.866 -68.7857 -135.531 19.0611 -56.3015 -151.664 -170.018 -303.773 -76.3021 PRESSAVG: 2918800 3.07024 21.7819 0.748439 21.7819 -33.0398 -0.571335 0.74843 -0.571335 -22.608 GPRESSAVG: 2918800 5.50162 18.6451 1.59605 21.5441 -34.7367 -2.25312 -0.426729 -3.72305 -23.8604 TIMING: 2918800 CPU: 9224.97, 0.00315715/step Wall: 9224.97, 0.00315715/step, 1.82518 hours remaining, 238.792969 MB of memory in use. ENERGY: 2918800 3946.6881 20502.7045 14532.3188 231.1527 -203332.1230 2373.0006 0.0000 0.0000 51899.4635 -109846.7949 298.2669 -161746.2584 -109501.0616 298.6449 -134.0185 -107.1565 761044.9609 -17.5259 -17.6985 PRESSURE: 2919000 -36.7537 -303.829 -164.854 -303.828 42.2 -64.5282 -164.855 -64.5287 -135.047 GPRESSURE: 2919000 -20.634 -180.138 -192.528 -174.975 50.1632 -90.2661 -164.38 -18.0023 -83.0178 PRESSAVG: 2919000 17.6576 -21.1309 -23.371 -21.1309 4.02873 4.51469 -23.3711 4.51465 -1.37929 GPRESSAVG: 2919000 16.1103 -20.0389 -24.1708 -21.2736 3.94792 4.24615 -22.8989 5.17676 -0.173633 TIMING: 2919000 CPU: 9225.6, 0.00318608/step Wall: 9225.6, 0.00318608/step, 1.84173 hours remaining, 238.792969 MB of memory in use. ENERGY: 2919000 3966.5992 20675.6464 14446.4968 252.1169 -203520.7714 2410.1062 0.0000 0.0000 52129.5792 -109640.2267 299.5894 -161769.8059 -109276.8838 299.0239 -43.2004 -17.8295 760255.6437 6.7690 6.6282 PRESSURE: 2919200 163.924 -72.6511 33.5986 -72.6513 3.5482 13.6849 33.5988 13.6866 -469.558 GPRESSURE: 2919200 198.193 41.29 95.3521 -144.252 -1.8153 122.494 37.8791 -121.283 -398.357 PRESSAVG: 2919200 61.1192 -33.4516 -39.1231 -33.4515 -55.9985 -0.994754 -39.1231 -0.994772 12.1498 GPRESSAVG: 2919200 60.3623 -33.0218 -39.2478 -36.3233 -54.1874 -0.626933 -38.2557 -0.181876 11.6203 TIMING: 2919200 CPU: 9226.23, 0.00315528/step Wall: 9226.23, 0.00315528/step, 1.82375 hours remaining, 238.792969 MB of memory in use. ENERGY: 2919200 4007.6688 20302.2971 14459.5390 254.8808 -203221.3182 2370.3558 0.0000 0.0000 52223.9076 -109602.6691 300.1315 -161826.5767 -109242.5064 299.4005 -100.6953 -67.3264 759856.1511 5.7569 5.9318 PRESSURE: 2919400 -229.269 -56.6793 28.2321 -56.6787 -107.609 -39.8824 28.2318 -39.8829 -377.587 GPRESSURE: 2919400 -156.484 -132.18 -48.4059 -2.88692 -114.629 -96.2705 33.2324 -102.698 -343.006 PRESSAVG: 2919400 0.166309 -22.7362 -45.9321 -22.7362 -19.1568 -18.6761 -45.9321 -18.6761 -1.29506 GPRESSAVG: 2919400 2.63928 -23.1973 -45.4139 -23.6944 -20.909 -19.4536 -45.9286 -20.7809 -2.43057 TIMING: 2919400 CPU: 9226.87, 0.00317601/step Wall: 9226.87, 0.00317602/step, 1.83556 hours remaining, 238.792969 MB of memory in use. ENERGY: 2919400 4016.4826 20505.5451 14451.9900 249.2287 -203256.3382 2281.6750 0.0000 0.0000 52153.3415 -109598.0753 299.7260 -161751.4168 -109238.3496 299.1900 -238.1550 -204.7065 761582.7017 -6.7618 -6.9001 PRESSURE: 2919600 -192.717 -54.9599 -80.87 -54.9599 -308.691 -27.9137 -80.8697 -27.9126 115.477 GPRESSURE: 2919600 -127.336 -31.093 -145.199 -38.6235 -287.064 29.5871 -102.711 58.2762 133.164 PRESSAVG: 2919600 -7.91438 13.6508 -37.0733 13.6508 -9.36936 11.4045 -37.0734 11.4045 -11.2175 GPRESSAVG: 2919600 -9.55212 12.9714 -37.5206 18.2475 -7.47226 11.4877 -36.2015 14.6875 -11.7591 TIMING: 2919600 CPU: 9227.5, 0.00313978/step Wall: 9227.5, 0.00313978/step, 1.81444 hours remaining, 238.792969 MB of memory in use. ENERGY: 2919600 4043.6992 20522.0673 14410.8555 273.0461 -203537.2377 2503.4345 0.0000 0.0000 52256.4892 -109527.6460 300.3188 -161784.1352 -109161.4335 299.6102 -128.6440 -93.7454 760628.9853 -9.5004 -9.5945 PRESSURE: 2919800 -323.815 -194.813 -137.442 -194.814 -318.663 -31.5103 -137.443 -31.5093 -54.1501 GPRESSURE: 2919800 -258.62 -8.51299 -178.778 -162.662 -276.43 -45.8819 -68.9541 -18.7568 -61.82 PRESSAVG: 2919800 -23.8684 -35.8532 -67.2653 -35.8531 15.4956 43.3804 -67.2652 43.3803 10.1722 GPRESSAVG: 2919800 -24.8239 -34.1365 -68.6421 -35.755 15.2657 43.3315 -67.2256 44.0431 11.2661 TIMING: 2919800 CPU: 9228.13, 0.00315787/step Wall: 9228.13, 0.00315787/step, 1.82472 hours remaining, 238.792969 MB of memory in use. ENERGY: 2919800 3993.9338 20647.6541 14468.1812 248.6972 -203333.2776 2394.1448 0.0000 0.0000 51965.5794 -109615.0871 298.6469 -161580.6665 -109256.5759 299.3154 -232.2095 -198.9570 759497.2255 0.5998 0.5693 PRESSURE: 2920000 -330.892 174.32 -0.410733 174.319 -18.5404 -14.2393 -0.410875 -14.2383 -399.142 GPRESSURE: 2920000 -261.3 202.217 15.2593 117.849 -36.6012 -10.23 24.0683 36.6684 -378.93 PRESSAVG: 2920000 -1.11272 -4.63503 -14.2441 -4.63495 2.22287 -31.861 -14.244 -31.861 -8.32392 GPRESSAVG: 2920000 0.306329 -4.06226 -11.2853 -7.4899 1.08282 -31.5663 -14.6634 -34.5544 -8.55933 TIMING: 2920000 CPU: 9228.76, 0.00315546/step Wall: 9228.76, 0.00315546/step, 1.82315 hours remaining, 238.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2920000 4025.3662 20696.4208 14524.5720 250.0392 -203203.3170 2337.5856 0.0000 0.0000 51830.5266 -109538.8067 297.8707 -161369.3333 -109190.2817 299.5489 -249.5249 -225.6101 760800.6658 -2.4046 -2.3901 PRESSURE: 2920200 120.047 154.539 43.4111 154.54 128.111 0.754458 43.4115 0.754315 76.1697 GPRESSURE: 2920200 203.656 235.74 68.0459 146.532 130.687 66.8388 6.35927 -36.5479 70.6335 PRESSAVG: 2920200 10.7911 -52.9033 26.1409 -52.9033 29.2826 -31.4642 26.1409 -31.4642 9.03963 GPRESSAVG: 2920200 9.63042 -55.3097 24.808 -51.5632 29.4594 -31.862 26.2547 -28.3348 10.6032 TIMING: 2920200 CPU: 9229.39, 0.00314949/step Wall: 9229.39, 0.00314949/step, 1.81953 hours remaining, 238.792969 MB of memory in use. ENERGY: 2920200 3974.4157 20510.9823 14445.0463 254.8281 -203848.2806 2889.0473 0.0000 0.0000 52072.3130 -109701.6479 299.2603 -161773.9610 -109336.6799 299.8024 108.1093 134.9921 760823.8612 16.3711 16.5643 LDB: ============= START OF LOAD BALANCING ============== 9241.79 LDB: ============== END OF LOAD BALANCING =============== 9241.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9241.79 LDB: ============= START OF LOAD BALANCING ============== 9242.1 LDB: Largest compute 7036 load 0.033476 is 17.1% of average load 0.195934 LDB: Average compute 0.004400 is 2.2% of average load 0.195934 LDB: TIME 9242.11 LOAD: AVG 0.195934 MAX 0.216399 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 9242.11 LOAD: AVG 0.195934 MAX 0.216399 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 9242.11 LOAD: AVG 0.195934 MAX 0.216399 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: ============== END OF LOAD BALANCING =============== 9242.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9242.11 PRESSURE: 2920400 144.11 37.2168 74.8782 37.2174 47.1197 -10.8236 74.8795 -10.8233 -17.7546 GPRESSURE: 2920400 219.418 -37.8075 75.0537 122.143 12.1718 -52.2214 167.383 -90.7712 24.0589 PRESSAVG: 2920400 18.4733 61.6161 -8.01029 61.6161 31.4657 -37.9191 -8.01032 -37.9191 1.54046 GPRESSAVG: 2920400 19.148 63.9163 -7.94417 61.4196 30.9238 -37.748 -7.09311 -39.933 1.56997 TIMING: 2920400 CPU: 9230.03, 0.0032117/step Wall: 9230.03, 0.0032117/step, 1.85529 hours remaining, 237.843750 MB of memory in use. ENERGY: 2920400 3921.5852 20424.5632 14421.0929 241.6469 -203909.4926 2896.5573 0.0000 0.0000 52155.7003 -109848.3469 299.7395 -162004.0472 -109479.8833 298.8644 57.8249 85.2161 761211.9296 17.1598 17.2139 PRESSURE: 2920600 64.8869 -39.6773 -170.337 -39.6772 -86.0479 -46.5608 -170.337 -46.5608 -84.9825 GPRESSURE: 2920600 -0.302403 -202.53 -218.022 -132.99 -28.1904 -34.5007 -299.093 -105.951 -1.69836 PRESSAVG: 2920600 70.5641 30.788 -5.33181 30.7881 -13.2376 35.1478 -5.33178 35.1478 -4.84017 GPRESSAVG: 2920600 70.3618 31.6173 -7.35598 29.2232 -13.261 33.8939 -8.13263 35.101 -5.31745 TIMING: 2920600 CPU: 9230.67, 0.00316616/step Wall: 9230.67, 0.00316616/step, 1.82881 hours remaining, 237.843750 MB of memory in use. ENERGY: 2920600 3998.3249 20561.7567 14441.8390 232.6448 -203529.8009 2390.5310 0.0000 0.0000 52031.7878 -109872.9167 299.0274 -161904.7045 -109520.7715 298.3843 -35.3812 -10.0637 761876.5913 17.4954 17.2611 PRESSURE: 2920800 -239.357 -230.878 -128.581 -230.879 40.1505 -422.642 -128.581 -422.643 29.5427 GPRESSURE: 2920800 -191.99 -278.82 -16.4966 -151.544 78.5491 -321.539 -91.189 -354.105 33.3735 PRESSAVG: 2920800 13.2745 12.1768 -21.6863 12.1768 -42.6127 -23.1892 -21.6864 -23.1892 1.13374 GPRESSAVG: 2920800 13.517 10.9619 -18.3923 13.2964 -42.9092 -20.8451 -20.7402 -23.1094 1.1594 TIMING: 2920800 CPU: 9231.3, 0.00315554/step Wall: 9231.3, 0.00315554/step, 1.8225 hours remaining, 237.843750 MB of memory in use. ENERGY: 2920800 4007.2426 20384.6398 14532.5706 258.4404 -203525.8433 2795.6647 0.0000 0.0000 51819.2724 -109728.0128 297.8061 -161547.2852 -109367.1035 298.8623 -56.5548 -26.6893 762316.2973 -9.4015 -9.4110 PRESSURE: 2921000 -45.7295 30.3809 113.452 30.3802 210.497 154.173 113.452 154.174 48.2466 GPRESSURE: 2921000 -27.2089 -89.1621 144.603 46.7037 290.375 175.215 91.8965 109.038 42.7807 PRESSAVG: 2921000 30.3282 3.55802 14.2126 3.55802 -2.91666 20.9998 14.2127 20.9997 -15.0765 GPRESSAVG: 2921000 30.616 2.71297 13.3334 6.02829 -3.21914 21.0524 15.082 21.0811 -15.2376 TIMING: 2921000 CPU: 9231.92, 0.00313852/step Wall: 9231.92, 0.00313852/step, 1.8125 hours remaining, 237.843750 MB of memory in use. ENERGY: 2921000 3903.9275 20576.4801 14466.1123 249.4766 -203346.5586 2576.6988 0.0000 0.0000 51800.2966 -109773.5666 297.6970 -161573.8632 -109403.0551 298.4681 71.0047 101.9824 761551.6618 4.1117 4.0531 PRESSURE: 2921200 -56.1561 -15.1367 86.0485 -15.1365 27.2916 -69.7545 86.0485 -69.7533 29.1114 GPRESSURE: 2921200 19.8014 -110.647 13.9491 -74.4604 -5.33986 -132.164 57.4661 -91.3368 64.6785 PRESSAVG: 2921200 8.59684 19.8158 14.811 19.8158 -21.9884 -1.81027 14.8111 -1.81024 -19.9961 GPRESSAVG: 2921200 6.86941 19.9035 14.4744 19.19 -19.7247 -2.03345 12.2584 -1.12203 -20.4027 TIMING: 2921200 CPU: 9232.55, 0.00313389/step Wall: 9232.55, 0.00313389/step, 1.80965 hours remaining, 237.843750 MB of memory in use. ENERGY: 2921200 4061.0667 20629.0332 14444.2501 264.1734 -203320.6077 2327.9792 0.0000 0.0000 51887.3969 -109706.7082 298.1976 -161594.1051 -109355.9976 298.8958 0.0823 26.3800 760104.8429 -11.1292 -11.0860 PRESSURE: 2921400 39.414 -67.8921 -133.154 -67.8914 -204.3 244.182 -133.154 244.182 -67.5432 GPRESSURE: 2921400 131.96 91.1215 -83.4608 80.8012 -195.403 247.26 -123.796 226.426 -60.4075 PRESSAVG: 2921400 -16.0183 -23.6236 -36.8504 -23.6236 34.3285 -11.5464 -36.8504 -11.5464 1.22773 GPRESSAVG: 2921400 -13.7079 -23.1784 -37.2026 -23.1849 33.3705 -12.7513 -32.7966 -10.4491 0.434302 TIMING: 2921400 CPU: 9233.18, 0.00314449/step Wall: 9233.18, 0.00314449/step, 1.81559 hours remaining, 237.843750 MB of memory in use. ENERGY: 2921400 3964.1864 20549.2881 14403.3526 254.5909 -203295.2190 2341.6347 0.0000 0.0000 52111.8966 -109670.2698 299.4878 -161782.1664 -109314.2483 298.8894 -77.4764 -41.2836 758900.5511 6.5126 6.6990 PRESSURE: 2921600 -133.472 56.3344 -18.4973 56.3352 -260.101 101.765 -18.4968 101.765 -110.145 GPRESSURE: 2921600 -83.0021 78.5388 81.9811 96.6443 -152.503 73.2045 25.0104 2.5994 -175.004 PRESSAVG: 2921600 39.5136 -11.2035 15.8246 -11.2035 -8.6818 30.3288 15.8247 30.3288 5.50901 GPRESSAVG: 2921600 38.211 -10.4178 17.7273 -11.6533 -7.72454 31.5456 13.0437 27.8683 6.45449 TIMING: 2921600 CPU: 9233.81, 0.00313917/step Wall: 9233.81, 0.00313917/step, 1.81235 hours remaining, 237.843750 MB of memory in use. ENERGY: 2921600 3946.3623 20643.3899 14409.5605 246.5310 -203215.4256 2524.8435 0.0000 0.0000 52054.4999 -109390.2385 299.1579 -161444.7384 -109024.9073 299.6062 -167.9062 -136.8364 760800.8541 12.1136 12.3136 PRESSURE: 2921800 38.0696 87.5188 48.7518 87.5189 278.169 -73.7543 48.7524 -73.7556 21.2845 GPRESSURE: 2921800 116.264 97.2164 71.9309 135.543 280.295 26.879 10.0619 -138.971 29.8396 PRESSAVG: 2921800 20.3376 -26.2421 4.78519 -26.2421 -13.3171 -25.2027 4.78518 -25.2026 -2.36547 GPRESSAVG: 2921800 20.3487 -25.308 2.26285 -27.6207 -13.1215 -23.8307 5.17834 -25.4757 -3.04737 TIMING: 2921800 CPU: 9234.44, 0.00314429/step Wall: 9234.44, 0.00314429/step, 1.81513 hours remaining, 237.843750 MB of memory in use. ENERGY: 2921800 3924.4107 20546.3776 14402.5047 254.4708 -203322.9895 2662.6418 0.0000 0.0000 52057.2168 -109475.3672 299.1735 -161532.5840 -109112.1492 299.6423 112.5079 142.1327 761207.6110 1.5517 1.3933 PRESSURE: 2922000 481.411 31.6139 -103.574 31.6142 -332.093 40.9102 -103.574 40.91 -276.581 GPRESSURE: 2922000 446.621 -0.956521 -100.938 18.426 -255.053 36.8424 13.0576 -122.334 -227.733 PRESSAVG: 2922000 29.0181 -44.8341 9.44342 -44.834 1.27356 32.0055 9.44338 32.0055 -5.93298 GPRESSAVG: 2922000 28.8205 -45.6422 9.37683 -44.0352 0.513028 29.6625 11.0831 33.288 -4.38855 TIMING: 2922000 CPU: 9235.06, 0.00314058/step Wall: 9235.06, 0.00314058/step, 1.81281 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2922000 3996.9523 20403.3783 14450.1467 249.1315 -203620.0478 2511.9573 0.0000 0.0000 52241.0986 -109767.3830 300.2303 -162008.4816 -109397.6364 298.8603 -42.4208 -12.0548 760545.6296 8.1196 8.3150 PRESSURE: 2922200 25.0638 98.6717 100.232 98.6714 -87.6264 -52.4947 100.232 -52.4951 -302.472 GPRESSURE: 2922200 88.8777 43.0446 16.0373 114.925 -13.6796 -24.4319 131.262 -88.4496 -351.249 PRESSAVG: 2922200 34.3717 -20.3854 -44.7057 -20.3854 -51.7691 18.9299 -44.7057 18.93 8.20794 GPRESSAVG: 2922200 35.2913 -19.9804 -43.2525 -21.387 -52.6173 19.1911 -45.9108 19.6147 8.4814 TIMING: 2922200 CPU: 9235.69, 0.00314713/step Wall: 9235.69, 0.00314713/step, 1.81642 hours remaining, 237.843750 MB of memory in use. ENERGY: 2922200 3990.2852 20548.2027 14414.3247 247.1514 -203061.2865 2210.0325 0.0000 0.0000 51959.9604 -109691.3296 298.6146 -161651.2900 -109325.8084 298.9327 -121.6781 -92.0171 762039.8595 -3.0632 -2.9482 PRESSURE: 2922400 -203.488 46.996 124.249 46.9962 261.364 -34.4376 124.249 -34.4369 88.6326 GPRESSURE: 2922400 -175.382 55.1023 117.862 120.076 303.394 -39.9198 133.401 -17.2696 107.443 PRESSAVG: 2922400 14.4853 -33.0346 -2.20517 -33.0346 -37.4494 43.3884 -2.20524 43.3885 14.8495 GPRESSAVG: 2922400 13.5081 -33.6418 -4.18277 -31.0246 -36.314 45.6587 0.0974407 40.3476 15.2017 TIMING: 2922400 CPU: 9236.32, 0.00314564/step Wall: 9236.32, 0.00314564/step, 1.81538 hours remaining, 237.843750 MB of memory in use. ENERGY: 2922400 4009.3317 20405.7007 14446.1827 244.2642 -203166.8820 2432.8745 0.0000 0.0000 52000.0256 -109628.5027 298.8449 -161628.5282 -109259.0830 298.8362 48.8363 78.4849 760461.9131 -2.7049 -2.5347 PRESSURE: 2922600 30.0651 86.3934 234.697 86.3931 201.911 -213.154 234.696 -213.154 -186.623 GPRESSURE: 2922600 112.247 0.97679 147.918 -2.9667 216.708 -290.8 234.349 -131.371 -208.494 PRESSAVG: 2922600 42.9463 -48.4539 -29.5901 -48.4539 -16.8319 33.3985 -29.5902 33.3984 -6.47523 GPRESSAVG: 2922600 43.9333 -49.5538 -28.6221 -49.4438 -16.5412 31.4663 -31.945 34.514 -7.87947 TIMING: 2922600 CPU: 9236.95, 0.00315134/step Wall: 9236.95, 0.00315134/step, 1.8185 hours remaining, 237.843750 MB of memory in use. ENERGY: 2922600 3956.9376 20471.8830 14407.9575 237.7738 -203293.4288 2470.4786 0.0000 0.0000 52215.4081 -109532.9902 300.0827 -161748.3983 -109180.1726 298.9323 15.1177 40.1534 761346.6260 6.5464 6.5042 PRESSURE: 2922800 -171.757 -219.9 -83.0322 -219.9 213.989 173.129 -83.0318 173.128 -2.68683 GPRESSURE: 2922800 -75.8651 -154.285 -130.887 -236.653 159.727 107.58 -89.4303 67.6607 57.3158 PRESSAVG: 2922800 -35.0666 -4.78598 -27.9822 -4.78605 -9.60205 0.352137 -27.9823 0.352093 9.23711 GPRESSAVG: 2922800 -35.6226 -2.89135 -27.8343 -6.62218 -10.134 0.953136 -28.6074 -1.07745 10.4864 TIMING: 2922800 CPU: 9237.58, 0.00312852/step Wall: 9237.58, 0.00312852/step, 1.80516 hours remaining, 237.843750 MB of memory in use. ENERGY: 2922800 3950.2428 20451.4932 14437.7452 249.3649 -203328.8714 2777.4136 0.0000 0.0000 51893.7191 -109568.8927 298.2339 -161462.6118 -109198.0897 298.8076 13.1816 47.0592 761796.3620 -11.8105 -11.7567 PRESSURE: 2923000 -197.683 202.592 161.688 202.593 -120.642 -81.2377 161.688 -81.2377 185.954 GPRESSURE: 2923000 -93.913 136.863 127.352 174.628 -82.6444 -130.351 339.645 -230.806 100.673 PRESSAVG: 2923000 -8.63988 -30.2111 19.4749 -30.2111 8.95149 11.8025 19.4749 11.8025 3.11339 GPRESSAVG: 2923000 -9.039 -29.8586 21.3093 -29.4621 9.22707 12.2683 19.4967 11.1544 3.15133 TIMING: 2923000 CPU: 9238.21, 0.0031364/step Wall: 9238.21, 0.0031364/step, 1.80953 hours remaining, 237.843750 MB of memory in use. ENERGY: 2923000 3927.9903 20614.2114 14466.6200 242.7237 -203393.1764 2434.2103 0.0000 0.0000 52126.8493 -109580.5714 299.5737 -161707.4207 -109215.8834 298.7994 -44.1233 -25.2947 761396.1702 1.1417 1.1131 PRESSURE: 2923200 -141.799 221.757 113.77 221.758 152.286 51.505 113.769 51.5047 -324.048 GPRESSURE: 2923200 -135.099 194.213 47.8832 191.205 155.869 66.0116 63.2447 176.808 -249.277 PRESSAVG: 2923200 78.3112 1.27155 19.7846 1.27156 -67.1952 -2.34517 19.7846 -2.34516 20.5905 GPRESSAVG: 2923200 77.2415 -1.07684 18.0943 2.74715 -67.1527 -3.89308 20.4573 -0.0993117 21.4339 TIMING: 2923200 CPU: 9238.84, 0.00315618/step Wall: 9238.84, 0.00315618/step, 1.82076 hours remaining, 237.843750 MB of memory in use. ENERGY: 2923200 3934.4729 20693.2507 14447.5682 237.1320 -203009.7321 2166.7588 0.0000 0.0000 52139.6243 -109390.9252 299.6471 -161530.5495 -109037.5419 299.1058 -104.5201 -76.1688 760324.9555 10.5688 10.5076 PRESSURE: 2923400 108.021 149.563 73.2597 149.563 -294.571 224.194 73.2593 224.193 -50.88 GPRESSURE: 2923400 25.7191 24.935 -91.5781 48.8229 -256.148 202.907 -61.1531 168.441 76.9713 PRESSAVG: 2923400 47.7966 -7.05047 -36.9327 -7.05044 -51.7171 -20.6917 -36.9328 -20.6918 -16.4928 GPRESSAVG: 2923400 49.4333 -6.04654 -36.6988 -7.67649 -52.7126 -21.434 -39.1486 -20.2752 -16.7968 TIMING: 2923400 CPU: 9239.47, 0.00316772/step Wall: 9239.47, 0.00316772/step, 1.82724 hours remaining, 237.843750 MB of memory in use. ENERGY: 2923400 3994.0915 20708.4571 14409.1216 246.8901 -203316.9602 2501.0420 0.0000 0.0000 52016.4407 -109440.9172 298.9392 -161457.3579 -109078.8825 299.4555 -79.1436 -51.1524 762293.7591 -6.8044 -6.6920 PRESSURE: 2923600 99.6347 202.17 125.621 202.171 338.472 217.678 125.622 217.677 -165.185 GPRESSURE: 2923600 183.246 149.483 87.7079 224.54 431.815 281.372 55.9312 121.368 -225.2 PRESSAVG: 2923600 69.1852 8.2343 -50.6004 8.23433 -71.0523 17.1311 -50.6004 17.131 14.6584 GPRESSAVG: 2923600 69.1518 8.07979 -50.0015 6.5479 -70.0689 20.0831 -49.1323 15.6145 13.6081 TIMING: 2923600 CPU: 9240.1, 0.0031501/step Wall: 9240.1, 0.0031501/step, 1.81691 hours remaining, 237.843750 MB of memory in use. ENERGY: 2923600 3947.6312 20592.7016 14468.0014 246.5701 -203329.7489 2552.2506 0.0000 0.0000 52099.1946 -109423.3994 299.4148 -161522.5940 -109059.1349 299.0288 90.9740 129.9535 761421.3392 4.2638 4.2303 PRESSURE: 2923800 83.5646 211.598 13.4762 211.598 -149.134 -218.859 13.475 -218.859 92.6353 GPRESSURE: 2923800 144.631 128.087 73.8658 168.319 -168.119 -178.871 -35.7134 -202.497 141.558 PRESSAVG: 2923800 75.5796 -35.4821 12.2235 -35.482 -72.5578 0.206625 12.2234 0.206592 -12.3262 GPRESSAVG: 2923800 74.9392 -34.2967 11.6281 -35.3049 -73.3407 -1.16665 11.3377 0.441941 -11.1572 TIMING: 2923800 CPU: 9240.73, 0.00316015/step Wall: 9240.73, 0.00316016/step, 1.82253 hours remaining, 237.843750 MB of memory in use. ENERGY: 2923800 3970.6483 20604.4387 14390.2683 247.8777 -203274.1051 2516.5552 0.0000 0.0000 51766.0568 -109778.2602 297.5002 -161544.3170 -109431.5195 298.9995 9.0219 39.3569 760220.3978 -3.1015 -3.1862 PRESSURE: 2924000 47.8402 -209.133 -28.1256 -209.134 138.801 -111.655 -28.1255 -111.655 70.2627 GPRESSURE: 2924000 57.6646 -110.479 11.9378 -231.127 264.033 -132.336 47.3869 -47.2253 39.1078 PRESSAVG: 2924000 50.7689 -36.7644 -18.477 -36.7643 -42.735 48.1582 -18.4771 48.1583 0.0228623 GPRESSAVG: 2924000 50.4421 -36.8251 -18.9591 -35.7914 -41.5959 47.4055 -17.6707 48.6984 -0.0130585 TIMING: 2924000 CPU: 9241.36, 0.00312651/step Wall: 9241.36, 0.0031265/step, 1.80295 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2924000 3930.4406 20507.7529 14440.2443 251.4514 -203369.5470 2561.8223 0.0000 0.0000 52062.5958 -109615.2398 299.2045 -161677.8356 -109236.9057 299.1056 85.6347 120.2684 762422.2902 2.6856 2.9444 PRESSURE: 2924200 323.199 -102.112 -180.559 -102.113 -264.207 151.945 -180.559 151.945 320.886 GPRESSURE: 2924200 265.903 -75.859 -132.405 -47.6048 -172.257 97.8065 -113.177 242.964 358.928 PRESSAVG: 2924200 2.26188 -47.0406 17.0394 -47.0406 -51.2664 40.4027 17.0394 40.4027 -13.5236 GPRESSAVG: 2924200 2.26403 -47.4161 17 -47.71 -51.8019 39.6894 17.6345 40.4461 -13.318 TIMING: 2924200 CPU: 9241.99, 0.00315781/step Wall: 9241.99, 0.00315781/step, 1.82083 hours remaining, 237.843750 MB of memory in use. ENERGY: 2924200 4042.6285 20634.1403 14426.1024 237.5088 -203509.3852 2805.1915 0.0000 0.0000 51751.3867 -109612.4269 297.4159 -161363.8137 -109265.9818 299.3921 126.6261 150.8581 761514.9261 -20.8427 -20.9520 LDB: ============= START OF LOAD BALANCING ============== 9254.39 LDB: ============== END OF LOAD BALANCING =============== 9254.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9254.39 LDB: ============= START OF LOAD BALANCING ============== 9254.7 LDB: Largest compute 7035 load 0.032011 is 16.3% of average load 0.196058 LDB: Average compute 0.004375 is 2.2% of average load 0.196058 LDB: TIME 9254.71 LOAD: AVG 0.196058 MAX 0.218741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9254.71 LOAD: AVG 0.196058 MAX 0.218741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: TIME 9254.71 LOAD: AVG 0.196058 MAX 0.218741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: ============== END OF LOAD BALANCING =============== 9254.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9254.72 PRESSURE: 2924400 268.191 -38.8494 25.0702 -38.8493 443.253 145.26 25.0711 145.26 532.937 GPRESSURE: 2924400 306.493 -2.16294 56.176 -84.2788 416.407 150.944 104.155 166.907 586.359 PRESSAVG: 2924400 26.7469 27.6674 33.5877 27.6674 -68.6701 -1.45698 33.5878 -1.45698 -11.6194 GPRESSAVG: 2924400 27.7659 26.4302 33.1574 29.3494 -67.7095 -1.44291 32.3412 0.864841 -13.607 TIMING: 2924400 CPU: 9242.63, 0.00321272/step Wall: 9242.63, 0.00321272/step, 1.85231 hours remaining, 238.867188 MB of memory in use. ENERGY: 2924400 3940.7647 20359.2167 14479.2910 257.5132 -203319.2338 2539.7441 0.0000 0.0000 52048.8834 -109693.8208 299.1256 -161742.7042 -109330.2063 299.4574 414.7937 436.4195 761109.6687 -17.8475 -17.8502 PRESSURE: 2924600 34.8943 -57.6472 46.5112 -57.6477 -340.123 -146.971 46.5119 -146.971 -414.364 GPRESSURE: 2924600 32.7843 59.2562 82.5947 -67.237 -296.61 -113.152 103.647 -122.693 -377.716 PRESSAVG: 2924600 11.5226 -49.0944 54.7342 -49.0944 3.72693 36.3836 54.7342 36.3837 1.64351 GPRESSAVG: 2924600 10.7309 -48.0537 55.4731 -47.7582 4.18008 36.436 56.6104 33.8812 1.9603 TIMING: 2924600 CPU: 9243.26, 0.00314826/step Wall: 9243.26, 0.00314826/step, 1.81497 hours remaining, 239.070312 MB of memory in use. ENERGY: 2924600 3977.2860 20465.5556 14441.9897 239.6027 -203030.9036 2155.5970 0.0000 0.0000 51948.3376 -109802.5351 298.5478 -161750.8727 -109450.3274 299.1897 -239.8642 -213.8471 760600.5565 5.6310 5.6237 PRESSURE: 2924800 160.747 -44.6472 -17.8075 -44.6475 199.236 164.269 -17.8079 164.269 -1.98189 GPRESSURE: 2924800 181.536 -94.0718 -95.159 41.4581 214.376 148.714 17.1075 95.5006 35.3351 PRESSAVG: 2924800 26.783 -1.45923 -0.71633 -1.45922 -54.9594 40.3883 -0.716333 40.3883 -4.10107 GPRESSAVG: 2924800 26.7278 -0.527214 -0.893111 -3.21864 -56.8549 40.5084 -0.104526 42.499 -2.94742 TIMING: 2924800 CPU: 9243.89, 0.00314579/step Wall: 9243.89, 0.00314579/step, 1.81338 hours remaining, 239.070312 MB of memory in use. ENERGY: 2924800 3979.6722 20431.7228 14330.2324 253.9132 -203891.7739 2818.4629 0.0000 0.0000 52037.6689 -110040.1014 299.0612 -162077.7704 -109687.7398 298.6471 119.3338 143.7491 759974.1097 -10.7592 -11.0248 PRESSURE: 2925000 77.9195 -202.549 148.297 -202.549 212.825 -33.8107 148.297 -33.8105 22.5258 GPRESSURE: 2925000 182.702 -263.616 181.809 -87.7077 156.351 -43.2492 147.305 -108.194 71.976 PRESSAVG: 2925000 59.4584 -42.0596 43.8014 -42.0596 -45.8154 -21.1139 43.8015 -21.1139 5.21976 GPRESSAVG: 2925000 59.9832 -43.6784 43.7959 -40.5467 -45.5442 -20.5625 41.1011 -22.7999 4.43253 TIMING: 2925000 CPU: 9244.52, 0.00314616/step Wall: 9244.52, 0.00314616/step, 1.81341 hours remaining, 239.070312 MB of memory in use. ENERGY: 2925000 3960.8895 20497.3474 14420.1345 222.3090 -203749.7340 2689.8463 0.0000 0.0000 51638.9157 -110320.2916 296.7696 -161959.2073 -109957.5596 298.0189 104.4235 137.0096 760742.4895 6.2876 6.2905 PRESSURE: 2925200 -6.94298 -348.101 -178.967 -348.101 16.5081 120.545 -178.967 120.544 -63.3815 GPRESSURE: 2925200 75.6411 -151.473 -218.621 -185.814 21.1074 93.0836 -236.252 210.877 -71.1305 PRESSAVG: 2925200 -18.3997 -36.8749 16.4578 -36.8748 -8.9335 9.93361 16.4579 9.93371 15.6296 GPRESSAVG: 2925200 -19.0407 -34.8286 16.9088 -38.8618 -8.15729 9.59446 16.9987 8.60557 15.3534 TIMING: 2925200 CPU: 9245.15, 0.00316293/step Wall: 9245.15, 0.00316293/step, 1.8229 hours remaining, 239.070312 MB of memory in use. ENERGY: 2925200 4020.9861 20316.4922 14379.6776 237.7355 -203870.4944 2624.1781 0.0000 0.0000 52116.1302 -110175.2949 299.5121 -162291.4250 -109803.6244 297.5114 -17.9388 8.5393 761077.3126 -3.9012 -3.9482 PRESSURE: 2925400 481.99 0.0527431 83.1066 0.0514677 -151.481 22.8149 83.1073 22.8153 -121.005 GPRESSURE: 2925400 412.272 43.2727 141.124 12.3483 -111.244 96.863 81.8983 -42.9986 -15.9147 PRESSAVG: 2925400 50.6872 10.4539 -12.9805 10.4538 -78.3611 32.4861 -12.9805 32.486 -0.229116 GPRESSAVG: 2925400 51.1037 9.35567 -14.5062 9.88114 -79.8617 32.6851 -10.7057 33.5365 1.47032 TIMING: 2925400 CPU: 9245.78, 0.0031503/step Wall: 9245.78, 0.0031503/step, 1.81545 hours remaining, 239.070312 MB of memory in use. ENERGY: 2925400 3998.0583 20516.3645 14444.6365 233.6357 -203495.2033 2559.1899 0.0000 0.0000 51795.1643 -109948.1541 297.6675 -161743.3184 -109584.4666 298.2644 69.8345 95.0375 759885.3464 -9.3010 -9.0959 PRESSURE: 2925600 -2.05022 79.006 140.263 79.0062 187.803 39.5608 140.263 39.561 15.3758 GPRESSURE: 2925600 66.4944 23.1454 72.1143 -13.6971 155.815 25.2012 -34.3197 11.2223 57.0827 PRESSAVG: 2925600 14.1695 49.3153 -8.79276 49.3152 -53.9504 17.957 -8.79275 17.957 15.0646 GPRESSAVG: 2925600 14.5928 49.9363 -7.24901 48.4765 -53.7759 18.2182 -10.0436 17.8044 14.4427 TIMING: 2925600 CPU: 9246.41, 0.00314057/step Wall: 9246.41, 0.00314057/step, 1.80967 hours remaining, 239.070312 MB of memory in use. ENERGY: 2925600 4013.8088 20480.2859 14441.8680 247.0267 -203645.6275 2567.0444 0.0000 0.0000 52055.6685 -109839.9252 299.1646 -161895.5937 -109487.4125 298.3786 67.0430 93.1308 758758.9227 -8.2388 -8.2468 PRESSURE: 2925800 115.584 -44.3988 187.053 -44.3979 28.6863 119.818 187.053 119.818 -231.837 GPRESSURE: 2925800 159.675 56.3367 216.911 -148.206 22.9841 87.752 106.904 23.6589 -176.102 PRESSAVG: 2925800 2.96796 -44.1398 28.6865 -44.1398 0.757065 17.7658 28.6865 17.7659 33.3852 GPRESSAVG: 2925800 3.00719 -44.714 28.8667 -43.4797 -0.0661184 16.6983 28.092 19.2309 33.6947 TIMING: 2925800 CPU: 9247.05, 0.00317972/step Wall: 9247.05, 0.00317972/step, 1.83205 hours remaining, 239.070312 MB of memory in use. ENERGY: 2925800 3938.6025 20526.8766 14439.1510 262.1534 -203538.4526 2315.9017 0.0000 0.0000 52141.0569 -109914.7105 299.6554 -162055.7674 -109545.7245 298.6708 -29.1889 2.1856 760486.1448 12.3701 12.2119 PRESSURE: 2926000 -34.9769 -12.3318 101.782 -12.3319 -118.335 -117.65 101.782 -117.652 150.988 GPRESSURE: 2926000 45.8108 -45.0792 93.9739 -6.49929 -176.329 -21.5488 47.751 -88.4194 199.944 PRESSAVG: 2926000 94.5254 -82.3978 11.7253 -82.3979 -61.1089 11.7948 11.7253 11.7948 -21.5504 GPRESSAVG: 2926000 94.1192 -82.691 11.1061 -82.6877 -60.3557 14.1569 12.9156 10.3868 -22.1122 TIMING: 2926000 CPU: 9247.68, 0.0031868/step Wall: 9247.68, 0.0031868/step, 1.83595 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2926000 3954.2231 20451.9766 14415.2731 233.8996 -203881.5184 2738.4936 0.0000 0.0000 52120.1193 -109967.5331 299.5350 -162087.6524 -109603.6224 298.9330 -0.7748 23.1418 762653.3690 3.9554 3.8838 PRESSURE: 2926200 355.992 83.8352 3.62155 83.8346 -143.525 -7.25531 3.62267 -7.2559 -257.844 GPRESSURE: 2926200 355.768 71.7741 70.2649 88.1561 -37.6991 -53.9882 -124.005 -80.8551 -294.05 PRESSAVG: 2926200 89.8055 -58.0429 -23.68 -58.043 -75.0434 -10.2056 -23.68 -10.2056 -19.5312 GPRESSAVG: 2926200 89.4491 -57.1194 -23.9086 -58.1774 -75.108 -11.1973 -23.2813 -9.66778 -19.7779 TIMING: 2926200 CPU: 9248.32, 0.00316332/step Wall: 9248.32, 0.00316332/step, 1.82225 hours remaining, 239.070312 MB of memory in use. ENERGY: 2926200 4067.6606 20548.6815 14462.0018 252.8624 -204176.8458 2874.9779 0.0000 0.0000 51815.5825 -110155.0791 297.7849 -161970.6616 -109802.2517 298.0940 -15.1257 8.0065 761456.3641 -1.5897 -1.8123 PRESSURE: 2926400 -115.512 -101.892 -77.245 -101.892 -364.828 -84.3428 -77.2451 -84.3428 241.633 GPRESSURE: 2926400 -24.5263 -66.323 -63.6624 -115.396 -309.902 -42.6544 -70.9485 -104.745 192.041 PRESSAVG: 2926400 20.2803 -69.722 -6.89978 -69.7219 -36.7112 -21.8684 -6.8998 -21.8684 -16.4671 GPRESSAVG: 2926400 20.8936 -70.4277 -6.00381 -68.5642 -37.1758 -21.583 -6.66653 -19.8554 -16.2767 TIMING: 2926400 CPU: 9248.95, 0.00315792/step Wall: 9248.95, 0.00315792/step, 1.81896 hours remaining, 239.070312 MB of memory in use. ENERGY: 2926400 3952.4085 20500.3222 14443.7812 215.6439 -203764.7121 2498.2737 0.0000 0.0000 51848.3200 -110305.9628 297.9730 -162154.2828 -109942.9783 297.9853 -79.5689 -47.4624 761535.7633 -10.9660 -10.8529 PRESSURE: 2926600 -199.349 -77.0183 -135.672 -77.0185 -25.0751 -127.315 -135.672 -127.314 -102.036 GPRESSURE: 2926600 -135.566 -176.123 -83.3207 -79.908 -67.2321 -101.386 -113.14 -137.334 -45.609 PRESSAVG: 2926600 22.1288 -50.7843 26.0648 -50.7843 -32.0532 -61.1538 26.0647 -61.1538 -14.4526 GPRESSAVG: 2926600 21.7672 -51.4198 25.7626 -51.4021 -32.3375 -61.2549 24.7141 -62.9452 -13.8107 TIMING: 2926600 CPU: 9249.58, 0.00316552/step Wall: 9249.58, 0.00316552/step, 1.82317 hours remaining, 239.070312 MB of memory in use. ENERGY: 2926600 4011.6684 20636.0081 14414.7399 255.6213 -203498.0240 2630.8323 0.0000 0.0000 51534.9173 -110014.2366 296.1719 -161549.1539 -109668.6981 298.0958 -108.8202 -82.8023 762346.8035 -8.1257 -8.1270 PRESSURE: 2926800 -218.545 -74.087 119.479 -74.0879 109.138 -60.3305 119.479 -60.3309 -338.595 GPRESSURE: 2926800 -181.205 -165.521 209.415 -107.233 149.05 -87.0162 58.3078 -97.9805 -315.861 PRESSAVG: 2926800 83.3799 -21.6406 -51.4868 -21.6406 -68.4563 -35.4103 -51.4868 -35.4104 -4.39053 GPRESSAVG: 2926800 83.942 -20.0748 -51.0755 -20.8206 -67.824 -36.464 -49.0785 -34.7094 -5.06397 TIMING: 2926800 CPU: 9250.22, 0.00319025/step Wall: 9250.22, 0.00319025/step, 1.83723 hours remaining, 239.070312 MB of memory in use. ENERGY: 2926800 3971.4140 20401.1194 14402.8629 265.1163 -203956.1893 2931.0076 0.0000 0.0000 51918.5282 -110066.1408 298.3765 -161984.6690 -109703.5379 298.0558 -149.3342 -116.0054 761919.1825 3.5110 3.6847 PRESSURE: 2927000 98.0526 148.434 -195.301 148.433 -194.338 -130.123 -195.302 -130.123 -66.1264 GPRESSURE: 2927000 146.848 116.04 -160.445 133.214 -160.927 34.4989 -136.479 -109.19 -50.6059 PRESSAVG: 2927000 24.2994 -33.1051 -32.2054 -33.1051 -35.8923 -63.7929 -32.2054 -63.7929 5.03893 GPRESSAVG: 2927000 23.9889 -32.4109 -32.506 -35.6214 -35.1836 -61.527 -32.0965 -64.7442 4.86214 TIMING: 2927000 CPU: 9250.85, 0.00315621/step Wall: 9250.85, 0.00315621/step, 1.81745 hours remaining, 239.070312 MB of memory in use. ENERGY: 2927000 3958.3902 20497.0277 14376.0106 236.6367 -203725.7204 2580.2460 0.0000 0.0000 51947.3075 -110130.1017 298.5419 -162077.4092 -109765.9013 297.8921 -54.1372 -21.5616 761009.9759 -2.1847 -2.1108 PRESSURE: 2927200 -310.271 -43.9267 -446.084 -43.9269 -226.487 -107.246 -446.084 -107.247 -405.863 GPRESSURE: 2927200 -304.659 -121.453 -449.443 3.11479 -224.244 -45.4192 -281.578 -34.0947 -354.089 PRESSAVG: 2927200 -13.9352 -21.8569 -28.3274 -21.8569 -17.639 2.2568 -28.3274 2.25681 7.553 GPRESSAVG: 2927200 -13.1585 -25.5759 -27.6325 -18.9395 -18.0941 2.68042 -29.6927 2.86066 7.67194 TIMING: 2927200 CPU: 9251.49, 0.00316894/step Wall: 9251.49, 0.00316894/step, 1.8246 hours remaining, 239.070312 MB of memory in use. ENERGY: 2927200 3925.5107 20349.8131 14364.3403 239.4103 -202939.9659 2195.8732 0.0000 0.0000 51707.1647 -110157.8537 297.1618 -161865.0183 -109795.7771 297.5461 -314.2069 -294.3305 763364.0091 -8.0071 -7.8602 PRESSURE: 2927400 -72.1542 160.774 27.4957 160.775 -96.5112 33.3831 27.4949 33.3829 -272.037 GPRESSURE: 2927400 -70.5214 85.2226 67.1439 135.968 7.20731 28.2599 -140.308 -77.2566 -265.438 PRESSAVG: 2927400 -4.66023 -28.3449 -26.6399 -28.3449 30.2809 35.9919 -26.6398 35.9919 -1.22004 GPRESSAVG: 2927400 -5.62036 -26.9236 -26.5794 -29.9548 31.453 32.8387 -26.7262 38.2931 -1.40528 TIMING: 2927400 CPU: 9252.12, 0.00316067/step Wall: 9252.12, 0.00316067/step, 1.81967 hours remaining, 239.070312 MB of memory in use. ENERGY: 2927400 3986.5802 20294.7682 14364.9952 249.9570 -203519.3127 2638.1659 0.0000 0.0000 51947.6188 -110037.2273 298.5437 -161984.8461 -109684.1238 297.6577 -146.9007 -109.5839 761710.1033 8.1335 8.1425 PRESSURE: 2927600 -47.2428 -165.697 174.924 -165.696 -244.692 -22.4835 174.922 -22.4842 14.7131 GPRESSURE: 2927600 25.7741 -249.64 168.91 -122.33 -186.12 -21.7371 134.822 -78.781 -27.429 PRESSAVG: 2927600 -5.45862 -20.7596 33.2512 -20.7597 39.676 47.9121 33.2511 47.9121 6.03742 GPRESSAVG: 2927600 -3.664 -19.6634 31.1602 -20.4712 38.0932 49.1405 30.2458 43.6996 5.91191 TIMING: 2927600 CPU: 9252.75, 0.00315453/step Wall: 9252.75, 0.00315453/step, 1.81596 hours remaining, 239.070312 MB of memory in use. ENERGY: 2927600 3931.6329 20297.7466 14366.6397 255.9571 -203788.0372 2713.2056 0.0000 0.0000 52124.0390 -110098.8164 299.5576 -162222.8554 -109733.1836 297.6957 -92.4073 -62.5915 761903.8707 13.4183 13.4470 PRESSURE: 2927800 -178.415 -28.8105 -177.305 -28.8111 35.3015 135.075 -177.304 135.074 114.989 GPRESSURE: 2927800 -166.226 66.1601 -149.605 -37.7565 145.838 139.105 -185.803 84.0473 71.4379 PRESSAVG: 2927800 -48.5806 -93.0133 0.787261 -93.0133 32.8797 38.2114 0.787217 38.2115 19.5431 GPRESSAVG: 2927800 -48.238 -94.0251 2.77255 -91.6814 32.6818 38.8966 3.64275 41.9375 19.7963 TIMING: 2927800 CPU: 9253.38, 0.00317344/step Wall: 9253.38, 0.00317344/step, 1.82667 hours remaining, 239.070312 MB of memory in use. ENERGY: 2927800 3906.7290 20293.5420 14452.6334 247.1476 -203441.1458 2627.5728 0.0000 0.0000 51904.7012 -110008.8198 298.2970 -161913.5209 -109638.3026 297.8171 -9.3749 17.0166 761827.7193 1.2807 1.4134 PRESSURE: 2928000 -333.806 20.2434 -158.074 20.2435 -221.071 130.811 -158.074 130.811 -178.355 GPRESSURE: 2928000 -362.441 13.8252 -128.796 79.4895 -161.002 155.706 -124.74 49.5351 -154.322 PRESSAVG: 2928000 -18.8712 -39.7297 -40.2224 -39.7297 -10.1588 14.3802 -40.2224 14.3802 -12.9774 GPRESSAVG: 2928000 -19.7438 -38.2314 -41.5181 -39.7219 -10.0542 15.3086 -40.1712 12.5831 -12.0896 TIMING: 2928000 CPU: 9254.02, 0.00318723/step Wall: 9254.02, 0.00318723/step, 1.83443 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2928000 4070.4796 20425.2965 14414.9756 240.8053 -203410.1217 2393.4584 0.0000 0.0000 51775.4790 -110089.6273 297.5544 -161865.1062 -109733.5457 298.1612 -244.4108 -225.9213 761730.6076 -14.0025 -13.9625 PRESSURE: 2928200 -156.071 -17.0793 234.118 -17.078 -175.56 5.60534 234.117 5.6056 45.3052 GPRESSURE: 2928200 -121.49 -86.7345 166.2 -63.043 -124.925 38.7789 133.873 -2.08355 41.4076 PRESSAVG: 2928200 -25.5919 0.58734 -32.1176 0.587316 38.6943 -44.2791 -32.1175 -44.2791 -29.7127 GPRESSAVG: 2928200 -25.6205 0.142443 -31.7343 -1.22829 39.8847 -45.8922 -32.4836 -46.1138 -30.8864 TIMING: 2928200 CPU: 9254.65, 0.00315627/step Wall: 9254.65, 0.00315628/step, 1.81644 hours remaining, 239.070312 MB of memory in use. ENERGY: 2928200 3925.9519 20453.4876 14398.8365 247.5867 -203250.3686 2469.6375 0.0000 0.0000 51770.5853 -109984.2832 297.5263 -161754.8684 -109619.1182 297.8021 -95.4420 -68.3361 763777.9245 -5.5367 -5.5407 LDB: ============= START OF LOAD BALANCING ============== 9267.05 LDB: ============== END OF LOAD BALANCING =============== 9267.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9267.05 LDB: ============= START OF LOAD BALANCING ============== 9267.37 LDB: Largest compute 7058 load 0.033677 is 17.2% of average load 0.196009 LDB: Average compute 0.004378 is 2.2% of average load 0.196009 LDB: TIME 9267.37 LOAD: AVG 0.196009 MAX 0.219384 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9267.37 LOAD: AVG 0.196009 MAX 0.219384 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 9267.37 LOAD: AVG 0.196009 MAX 0.219384 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9267.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9267.38 PRESSURE: 2928400 -150.856 64.0142 -49.4198 64.0142 -290.468 -198.063 -49.4204 -198.063 -233.756 GPRESSURE: 2928400 -77.3341 51.6662 22.5216 16.9365 -344.246 -219.085 -30.6345 -215.468 -198.587 PRESSAVG: 2928400 24.8488 17.4078 -20.5289 17.4077 -41.7957 19.0859 -20.5289 19.0859 -25.1517 GPRESSAVG: 2928400 23.4623 16.6886 -19.8391 18.6353 -41.1632 19.8319 -21.5113 21.0045 -24.3355 TIMING: 2928400 CPU: 9255.3, 0.00323998/step Wall: 9255.3, 0.00323998/step, 1.86443 hours remaining, 238.410156 MB of memory in use. ENERGY: 2928400 4044.1817 20416.2249 14407.4178 248.1087 -203087.7415 2391.9054 0.0000 0.0000 51731.6336 -109848.2695 297.3024 -161579.9031 -109495.6274 298.3911 -225.0265 -206.7226 763235.1632 -14.0329 -14.0121 PRESSURE: 2928600 -57.688 -161.445 186.507 -161.445 -242.28 -136.601 186.507 -136.602 -17.6408 GPRESSURE: 2928600 87.7607 -235.134 134.979 -76.4091 -268.779 -184.386 148.674 -7.5243 -29.3041 PRESSAVG: 2928600 30.5896 16.8982 -21.1777 16.8982 12.997 -10.8285 -21.1778 -10.8285 -6.84963 GPRESSAVG: 2928600 32.1792 17.4683 -23.6631 16.8859 11.4749 -11.1504 -20.4228 -9.56662 -6.82981 TIMING: 2928600 CPU: 9255.93, 0.00316472/step Wall: 9255.93, 0.00316472/step, 1.82094 hours remaining, 238.410156 MB of memory in use. ENERGY: 2928600 3961.3646 20503.2021 14383.8000 264.0701 -203362.8817 2703.3961 0.0000 0.0000 51653.2285 -109893.8203 296.8518 -161547.0488 -109536.6714 298.1822 -105.8696 -70.1073 763332.1188 12.2457 12.2747 PRESSURE: 2928800 -118.739 -37.8604 54.1233 -37.8595 -92.1551 -152.283 54.1239 -152.283 71.5197 GPRESSURE: 2928800 -51.5362 -28.1961 -7.81772 -56.3477 -42.2151 -129.369 190.2 -228.879 49.5839 PRESSAVG: 2928800 13.3327 -23.7926 8.44737 -23.7927 -26.8929 -26.8791 8.4474 -26.8791 24.4543 GPRESSAVG: 2928800 12.5702 -22.1356 9.69734 -26.0391 -25.7087 -25.3708 7.72434 -26.4159 24.3753 TIMING: 2928800 CPU: 9256.56, 0.00315935/step Wall: 9256.56, 0.00315935/step, 1.81768 hours remaining, 238.410156 MB of memory in use. ENERGY: 2928800 3955.9139 20393.8161 14373.7655 267.3861 -203399.1109 2473.8677 0.0000 0.0000 51808.5516 -110125.8100 297.7445 -161934.3616 -109767.0844 298.1806 -46.4581 -14.7225 762339.3137 3.6314 3.7456 PRESSURE: 2929000 0.701552 97.3515 60.2908 97.3505 -338.808 161.941 60.2911 161.941 -74.4343 GPRESSURE: 2929000 -11.2728 47.4816 73.1338 50.8934 -300.754 150.74 84.5569 194.362 -26.4728 PRESSAVG: 2929000 3.00039 1.52978 19.5441 1.52978 -3.64027 -26.9967 19.5441 -26.9967 -21.5491 GPRESSAVG: 2929000 2.89911 0.550863 20.0605 1.71825 -3.76306 -29.836 20.833 -27.1108 -21.3476 TIMING: 2929000 CPU: 9257.2, 0.00316077/step Wall: 9257.2, 0.00316077/step, 1.81832 hours remaining, 238.410156 MB of memory in use. ENERGY: 2929000 4024.1003 20523.3818 14405.0865 249.2582 -203364.3955 2440.4809 0.0000 0.0000 51764.8208 -109957.2671 297.4931 -161722.0879 -109594.1524 297.8348 -137.5135 -112.8332 761431.9445 -7.3963 -7.4038 PRESSURE: 2929200 69.5616 -36.2713 -22.4051 -36.2704 -268.67 187.532 -22.4049 187.532 -45.2214 GPRESSURE: 2929200 6.78535 -65.5808 -73.1555 -62.4578 -197.791 117.076 -59.945 175.861 18.0226 PRESSAVG: 2929200 17.2012 18.2702 -36.8408 18.2702 -11.4329 26.3822 -36.8408 26.3823 -7.45674 GPRESSAVG: 2929200 18.1101 18.7806 -37.7384 17.332 -12.627 28.0904 -36.579 25.5375 -7.56602 TIMING: 2929200 CPU: 9257.83, 0.0031572/step Wall: 9257.83, 0.0031572/step, 1.81609 hours remaining, 238.410156 MB of memory in use. ENERGY: 2929200 3969.2611 20508.6256 14407.3186 234.5724 -203833.5671 2878.7407 0.0000 0.0000 51836.2736 -109998.7751 297.9038 -161835.0487 -109646.7089 297.8130 -81.4434 -57.6611 759416.9053 -0.5628 -0.6943 PRESSURE: 2929400 -50.0656 71.877 -90.483 71.8781 136.25 -251.499 -90.4841 -251.499 130.755 GPRESSURE: 2929400 79.4692 115.321 -141.423 65.9612 57.5868 -214.933 31.4761 -166.855 162.739 PRESSAVG: 2929400 29.6862 -20.7596 -19.3883 -20.7597 -20.1296 -28.2266 -19.3883 -28.2266 -17.8564 GPRESSAVG: 2929400 28.7214 -22.3701 -18.9944 -19.5004 -20.1969 -27.2678 -19.2714 -29.2643 -16.5781 TIMING: 2929400 CPU: 9258.46, 0.00313871/step Wall: 9258.46, 0.00313871/step, 1.80528 hours remaining, 238.410156 MB of memory in use. ENERGY: 2929400 3993.3606 20397.1421 14466.4043 245.0677 -203796.2489 2930.3761 0.0000 0.0000 51843.7452 -109920.1529 297.9467 -161763.8980 -109562.3260 298.5291 72.3130 99.9318 760004.7875 -2.7666 -2.6845 PRESSURE: 2929600 262.589 127.414 112.801 127.413 73.5542 -81.0858 112.801 -81.086 76.3017 GPRESSURE: 2929600 305.052 135.192 193.165 182.643 123.271 -61.028 57.2518 16.7819 77.6895 PRESSAVG: 2929600 24.9263 -47.0396 -28.2558 -47.0396 -47.1146 -13.225 -28.2558 -13.2251 7.49989 GPRESSAVG: 2929600 25.8786 -45.5999 -27.3315 -45.6422 -47.5447 -14.0336 -28.5259 -13.1215 6.75558 TIMING: 2929600 CPU: 9259.09, 0.00315659/step Wall: 9259.09, 0.00315659/step, 1.81539 hours remaining, 238.410156 MB of memory in use. ENERGY: 2929600 3961.8202 20659.6704 14386.9370 247.5295 -203261.1132 2478.7171 0.0000 0.0000 51855.9588 -109670.4803 298.0169 -161526.4391 -109317.0116 298.6764 137.4816 168.6709 761196.1225 -4.8961 -4.9702 PRESSURE: 2929800 -4.97874 135.442 66.0708 135.442 212.413 -321.737 66.0708 -321.738 177.734 GPRESSURE: 2929800 70.0983 -8.0464 112.196 -34.8742 256.595 -279.24 24.1054 -346.546 123.654 PRESSAVG: 2929800 0.629724 -64.5889 8.38882 -64.5889 -8.77198 6.59234 8.38889 6.59238 -6.54425 GPRESSAVG: 2929800 -0.214923 -65.5216 8.66907 -66.5765 -7.30895 7.32901 5.67648 6.07972 -7.51505 TIMING: 2929800 CPU: 9259.72, 0.00315637/step Wall: 9259.72, 0.00315637/step, 1.81509 hours remaining, 238.410156 MB of memory in use. ENERGY: 2929800 3989.8030 20473.1683 14410.9791 248.5014 -203223.0539 2689.4016 0.0000 0.0000 51651.9104 -109759.2901 296.8442 -161411.2006 -109405.0563 298.8953 128.3894 150.1155 760709.5887 -4.8955 -5.0130 PRESSURE: 2930000 67.9193 -88.556 15.617 -88.5558 -49.8945 -72.5324 15.6182 -72.5317 -29.9346 GPRESSURE: 2930000 54.6897 49.0795 26.6326 -51.7578 -60.0723 -47.1952 91.2046 -164.497 60.3558 PRESSAVG: 2930000 26.6806 0.482415 18.9713 0.482456 16.633 26.3535 18.9713 26.3537 -5.2563 GPRESSAVG: 2930000 26.9528 1.21749 18.972 1.19273 15.0049 24.5689 20.2468 26.8568 -4.08634 TIMING: 2930000 CPU: 9260.35, 0.00316028/step Wall: 9260.35, 0.00316028/step, 1.81716 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2930000 3930.0953 20733.1431 14472.9443 232.7525 -203597.1136 2494.8420 0.0000 0.0000 51899.9918 -109833.3447 298.2700 -161733.3365 -109484.4660 298.2549 -3.9700 18.3244 760393.5307 12.6858 12.6238 PRESSURE: 2930200 209.817 -108.97 56.339 -108.97 -23.9255 47.4126 56.339 47.412 -250.546 GPRESSURE: 2930200 275.29 -156.702 168.339 84.6427 -59.8332 86.857 39.1144 -32.4107 -192.268 PRESSAVG: 2930200 1.90703 -51.8578 11.7646 -51.8578 -38.6812 -8.83147 11.7647 -8.83147 39.2754 GPRESSAVG: 2930200 2.16608 -54.051 10.3626 -50.2646 -38.0663 -8.90086 10.5808 -7.44447 38.2347 TIMING: 2930200 CPU: 9260.98, 0.00315957/step Wall: 9260.98, 0.00315957/step, 1.81658 hours remaining, 238.410156 MB of memory in use. ENERGY: 2930200 3978.5610 20563.9238 14404.2669 242.3512 -203864.8101 2755.7715 0.0000 0.0000 51984.4283 -109935.5074 298.7552 -161919.9357 -109577.1408 298.7617 -21.5514 7.7294 760485.9901 0.8338 0.7782 PRESSURE: 2930400 663.689 -220.978 145.234 -220.978 19.0651 -189.069 145.234 -189.069 -30.6797 GPRESSURE: 2930400 656.27 -102.19 25.0252 -197.319 -3.12983 -95.1299 189.622 -192.428 81.888 PRESSAVG: 2930400 57.8732 -63.76 50.18 -63.76 -27.683 13.4454 50.18 13.4454 1.07991 GPRESSAVG: 2930400 57.2129 -63.6819 49.843 -65.752 -27.8127 13.7502 53.2897 12.7153 2.14154 TIMING: 2930400 CPU: 9261.61, 0.0031491/step Wall: 9261.61, 0.0031491/step, 1.81038 hours remaining, 238.410156 MB of memory in use. ENERGY: 2930400 3983.2245 20293.4714 14443.3304 241.0540 -203373.4743 2611.9564 0.0000 0.0000 51937.6498 -109862.7877 298.4864 -161800.4375 -109490.2308 298.7675 217.3580 245.0094 762292.2463 10.4234 10.5139 PRESSURE: 2930600 -578.342 -172.438 103.914 -172.438 -195.048 -26.1215 103.914 -26.1226 43.5739 GPRESSURE: 2930600 -443.112 -254.2 93.7599 -86.3656 -207.001 -56.3341 78.9708 26.7231 -9.28508 PRESSAVG: 2930600 -34.5084 -17.3747 -22.1532 -17.3748 21.495 -10.7024 -22.1532 -10.7025 9.69239 GPRESSAVG: 2930600 -34.2576 -16.5905 -20.0959 -16.4645 20.9798 -11.5905 -24.7774 -10.7838 9.42562 TIMING: 2930600 CPU: 9262.24, 0.00315063/step Wall: 9262.24, 0.00315063/step, 1.81109 hours remaining, 238.410156 MB of memory in use. ENERGY: 2930600 4040.2536 20431.3469 14500.2235 243.9362 -203518.8502 2514.3695 0.0000 0.0000 51923.0913 -109865.6291 298.4027 -161788.7204 -109508.2574 298.2412 -243.2720 -219.7991 763022.9030 -1.1070 -1.2840 PRESSURE: 2930800 60.6081 -81.1751 55.5671 -81.1755 -604.109 -19.75 55.5662 -19.7513 239.816 GPRESSURE: 2930800 40.6071 8.45072 -5.25621 -156.698 -535.59 -6.42045 170.442 -97.8553 276.68 PRESSAVG: 2930800 5.79374 -30.696 -12.4104 -30.696 -11.1791 34.7899 -12.4104 34.79 24.1452 GPRESSAVG: 2930800 5.55493 -31.0366 -13.3677 -31.7353 -10.1868 34.6258 -11.4269 34.3861 23.6383 TIMING: 2930800 CPU: 9262.87, 0.00315788/step Wall: 9262.87, 0.00315788/step, 1.81508 hours remaining, 238.410156 MB of memory in use. ENERGY: 2930800 3976.3502 20651.3517 14409.4176 237.8075 -203348.1223 2258.4330 0.0000 0.0000 51608.6240 -110206.1383 296.5955 -161814.7624 -109847.6237 298.1976 -101.2284 -72.7674 761871.6220 6.2533 6.3355 PRESSURE: 2931000 31.0098 -108.87 167.715 -108.871 -178.903 119.085 167.714 119.086 13.4393 GPRESSURE: 2931000 -16.3366 -199.46 240.824 -62.759 -27.4999 202.476 178.998 81.9326 1.80859 PRESSAVG: 2931000 10.5301 -73.9173 -3.59819 -73.9173 -14.6332 -15.2224 -3.59816 -15.2224 11.7762 GPRESSAVG: 2931000 9.93688 -74.0131 -3.88481 -72.9283 -14.7383 -15.7355 -4.07067 -14.7606 12.3162 TIMING: 2931000 CPU: 9263.51, 0.00316276/step Wall: 9263.51, 0.00316276/step, 1.81771 hours remaining, 238.410156 MB of memory in use. ENERGY: 2931000 3942.6680 20607.0960 14391.2509 232.3613 -203690.1083 2579.4538 0.0000 0.0000 51968.4732 -109968.8051 298.6635 -161937.2783 -109599.1583 297.9498 -44.8181 -14.0093 762198.1154 2.5577 2.5049 PRESSURE: 2931200 320.666 138.982 18.9213 138.982 -48.6422 -34.6197 18.9209 -34.6186 188.884 GPRESSURE: 2931200 353.903 112.283 -15.4055 157.571 -87.7325 -188.283 13.514 -54.4997 297.905 PRESSAVG: 2931200 -29.8608 -5.53577 -7.84171 -5.53581 41.9483 27.1417 -7.84174 27.1418 1.82643 GPRESSAVG: 2931200 -29.447 -4.5785 -7.9455 -6.29657 42.4161 28.3352 -8.18888 27.2698 1.78024 TIMING: 2931200 CPU: 9264.14, 0.0031591/step Wall: 9264.14, 0.0031591/step, 1.81543 hours remaining, 238.410156 MB of memory in use. ENERGY: 2931200 3958.9086 20591.1586 14490.8211 252.0984 -204031.1338 3001.9871 0.0000 0.0000 51776.0081 -109960.1518 297.5574 -161736.1599 -109604.5600 298.2050 153.6357 188.0251 763000.2048 4.6380 4.9164 PRESSURE: 2931400 -162.702 -4.15154 -196.456 -4.15185 -47.78 -43.8913 -196.456 -43.8914 -82.7648 GPRESSURE: 2931400 -82.8279 -76.3142 -227.456 -37.9814 -5.69292 -84.9923 -141.382 46.9625 -123.186 PRESSAVG: 2931400 -1.33707 -4.78087 21.973 -4.78081 -18.9665 -66.1802 21.973 -66.1801 5.91107 GPRESSAVG: 2931400 -0.964912 -5.3425 23.9133 -3.61202 -18.9477 -66.4973 21.5819 -65.6169 5.48912 TIMING: 2931400 CPU: 9264.77, 0.00317121/step Wall: 9264.77, 0.00317121/step, 1.82221 hours remaining, 238.410156 MB of memory in use. ENERGY: 2931400 4060.5156 20562.9042 14452.8997 262.5171 -203655.9001 2648.8653 0.0000 0.0000 52007.3480 -109660.8503 298.8869 -161668.1983 -109292.7479 298.6937 -97.7488 -70.5690 762965.6066 -4.7975 -4.8078 PRESSURE: 2931600 -185.21 58.915 -296.57 58.9153 3.61729 145.112 -296.57 145.11 -21.0809 GPRESSURE: 2931600 -227.231 164.188 -270.598 93.2544 44.9654 160.282 -265.531 166.739 37.5804 PRESSAVG: 2931600 -35.7089 15.8205 -38.4894 15.8204 7.41014 37.4777 -38.4894 37.4778 8.47395 GPRESSAVG: 2931600 -36.2921 17.5061 -39.2483 15.2583 6.34221 37.0468 -37.9517 37.9257 9.91412 TIMING: 2931600 CPU: 9265.41, 0.00317531/step Wall: 9265.41, 0.00317531/step, 1.82439 hours remaining, 238.410156 MB of memory in use. ENERGY: 2931600 4033.2522 20631.3133 14395.7379 238.3602 -204106.3127 2801.5299 0.0000 0.0000 52000.0027 -110006.1165 298.8447 -162006.1192 -109643.2674 298.5576 -67.5580 -48.2285 763114.9085 -6.6083 -6.6786 PRESSURE: 2931800 -281.401 -136.79 165.741 -136.791 -76.1078 -148.689 165.741 -148.69 -76.6671 GPRESSURE: 2931800 -198.192 -100.77 167.135 -55.3785 -58.6272 -157.759 61.6459 -129.371 -89.0931 PRESSAVG: 2931800 -38.8479 -35.59 1.67053 -35.5899 25.6351 -10.1607 1.67053 -10.1607 12.8079 GPRESSAVG: 2931800 -38.3047 -37.1221 1.65084 -35.9517 25.9085 -8.55164 -0.606965 -10.8089 12.0827 TIMING: 2931800 CPU: 9266.04, 0.00315822/step Wall: 9266.04, 0.00315822/step, 1.81439 hours remaining, 238.410156 MB of memory in use. ENERGY: 2931800 4007.9916 20588.4839 14376.8202 223.0120 -203686.1087 2567.2796 0.0000 0.0000 51893.7681 -110028.7533 298.2342 -161922.5214 -109662.4294 298.4456 -144.7254 -115.3041 762013.1525 -0.1350 -0.1045 PRESSURE: 2932000 -232.3 46.5648 -269.352 46.5643 275.469 -39.6169 -269.353 -39.6179 225.319 GPRESSURE: 2932000 -107.647 21.9765 -339.736 -14.2197 227.607 -67.9586 -126.104 -25.9496 205.636 PRESSAVG: 2932000 13.1195 -44.4738 0.248586 -44.4739 2.64825 9.34734 0.248532 9.34738 -7.45306 GPRESSAVG: 2932000 13.8994 -46.3812 -2.0333 -42.9039 2.21728 8.42883 3.11821 8.57195 -8.32262 TIMING: 2932000 CPU: 9266.67, 0.00316255/step Wall: 9266.67, 0.00316255/step, 1.81671 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2932000 4020.2207 20590.5627 14419.8713 247.5973 -203244.8866 2570.5566 0.0000 0.0000 51475.2716 -109920.8065 295.8291 -161396.0781 -109576.1521 298.3782 89.4960 108.5321 761847.6744 2.7716 2.5980 PRESSURE: 2932200 104.458 57.6676 69.2025 57.668 -129.819 6.82543 69.2032 6.82646 -157.274 GPRESSURE: 2932200 100.001 -2.32656 124.605 206.571 5.64967 -47.0342 123.82 52.6167 -201.447 PRESSAVG: 2932200 22.9968 -2.35442 35.9022 -2.35444 2.19706 -18.4595 35.9022 -18.4594 6.8832 GPRESSAVG: 2932200 21.8071 -1.45917 36.3069 -3.58726 3.61602 -17.7179 34.1308 -17.977 6.31723 TIMING: 2932200 CPU: 9267.31, 0.00317843/step Wall: 9267.31, 0.00317843/step, 1.82566 hours remaining, 238.410156 MB of memory in use. ENERGY: 2932200 4001.7260 20278.1350 14358.6992 257.8521 -203598.0487 2678.9413 0.0000 0.0000 51953.4902 -110069.2049 298.5774 -162022.6951 -109707.4679 298.0325 -60.8784 -31.9322 762170.2457 10.6924 10.5801 LDB: ============= START OF LOAD BALANCING ============== 9279.71 LDB: ============== END OF LOAD BALANCING =============== 9279.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9279.71 LDB: ============= START OF LOAD BALANCING ============== 9280.02 LDB: Largest compute 7078 load 0.033404 is 17.0% of average load 0.196021 LDB: Average compute 0.004364 is 2.2% of average load 0.196021 LDB: TIME 9280.03 LOAD: AVG 0.196021 MAX 0.219673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 9280.03 LOAD: AVG 0.196021 MAX 0.219673 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 9280.03 LOAD: AVG 0.196021 MAX 0.218681 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 9280.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9280.04 PRESSURE: 2932400 -207.081 64.2904 -44.2493 64.29 71.4688 11.4053 -44.2501 11.406 -594.37 GPRESSURE: 2932400 -167.663 90.2008 71.497 -59.6398 103.567 25.0472 124.723 -5.97768 -557.92 PRESSAVG: 2932400 15.3541 -48.7605 42.4978 -48.7605 -36.7316 24.3596 42.4978 24.3596 4.39494 GPRESSAVG: 2932400 15.2133 -46.6518 44.732 -47.4662 -38.0141 23.6266 44.4585 24.9283 5.68805 TIMING: 2932400 CPU: 9267.95, 0.00322646/step Wall: 9267.95, 0.00322646/step, 1.85306 hours remaining, 237.062500 MB of memory in use. ENERGY: 2932400 4002.3783 20451.6650 14416.6913 234.9239 -203628.4910 2727.6114 0.0000 0.0000 51830.3904 -109964.8309 297.8700 -161795.2212 -109607.3826 298.4069 -243.3274 -207.3388 762022.9513 -5.6609 -5.7042 PRESSURE: 2932600 -81.1034 -156.204 95.8686 -156.206 -0.117916 204.46 95.8674 204.459 214.484 GPRESSURE: 2932600 -75.858 -176.633 155.83 -123.978 56.4505 165.667 -94.733 93.8674 215.63 PRESSAVG: 2932600 -18.0345 8.55476 7.05875 8.55474 -0.719514 -15.7331 7.05872 -15.7331 3.3594 GPRESSAVG: 2932600 -18.3387 4.89446 7.63636 8.21341 0.148429 -14.876 5.64344 -16.5441 2.89269 TIMING: 2932600 CPU: 9268.58, 0.00315282/step Wall: 9268.58, 0.00315282/step, 1.81059 hours remaining, 237.265625 MB of memory in use. ENERGY: 2932600 3898.0676 20687.8124 14359.0464 242.1302 -203733.0614 2689.3597 0.0000 0.0000 51981.3018 -109875.3432 298.7373 -161856.6449 -109513.5689 298.5417 44.4209 65.4074 762218.3251 -5.1315 -5.0992 PRESSURE: 2932800 -153.585 -3.74907 -121.616 -3.74945 -81.6576 39.0156 -121.617 39.0155 -60.8559 GPRESSURE: 2932800 -195.184 -10.1386 -175.547 37.9496 11.2496 66.8478 -141.169 -111.738 -28.7682 PRESSAVG: 2932800 -0.581359 -50.1972 -14.7048 -50.1972 0.405667 -21.5729 -14.7047 -21.5729 -18.4632 GPRESSAVG: 2932800 -0.138164 -48.7427 -16.9678 -50.9192 -1.07653 -21.8176 -14.6878 -22.5023 -17.2835 TIMING: 2932800 CPU: 9269.22, 0.00317123/step Wall: 9269.22, 0.00317123/step, 1.82099 hours remaining, 237.265625 MB of memory in use. ENERGY: 2932800 3988.6773 20489.0869 14409.6622 256.5781 -203777.4686 2540.9852 0.0000 0.0000 52123.6368 -109968.8421 299.5553 -162092.4789 -109601.4464 298.6232 -98.6995 -70.9008 760630.5279 -6.2130 -6.1661 PRESSURE: 2933000 189.133 -31.8511 42.606 -31.8515 -45.4087 -118.336 42.6062 -118.337 112.798 GPRESSURE: 2933000 258.369 61.0197 96.7398 -60.9691 -39.5337 -204.391 175.908 80.1519 114.65 PRESSAVG: 2933000 -36.1004 -18.7017 -29.7075 -18.7017 -2.01103 1.9138 -29.7075 1.9137 9.15909 GPRESSAVG: 2933000 -36.046 -18.3778 -29.2237 -20.1543 0.299441 0.576155 -29.5415 3.66887 6.97816 TIMING: 2933000 CPU: 9269.85, 0.0031564/step Wall: 9269.85, 0.0031564/step, 1.8123 hours remaining, 237.265625 MB of memory in use. ENERGY: 2933000 4015.3751 20489.0745 14398.2142 233.3734 -203278.0671 2579.3846 0.0000 0.0000 51864.0271 -109698.6182 298.0633 -161562.6453 -109338.8255 299.1773 85.5074 111.1616 760530.6936 -9.6508 -9.5895 PRESSURE: 2933200 -146.254 41.9637 56.3049 41.9636 -156.592 -14.4319 56.3053 -14.4314 88.1053 GPRESSURE: 2933200 -141.695 8.95183 75.3047 26.86 -132.03 -33.4034 117.887 -37.9955 124.804 PRESSAVG: 2933200 47.7163 0.314908 24.805 0.314959 -67.091 20.6535 24.805 20.6536 35.6649 GPRESSAVG: 2933200 47.1497 -0.131878 24.5883 2.41816 -68.4842 21.9057 23.5799 20.5897 37.5724 TIMING: 2933200 CPU: 9270.48, 0.00316915/step Wall: 9270.48, 0.00316915/step, 1.81944 hours remaining, 237.265625 MB of memory in use. ENERGY: 2933200 3941.9243 20517.3418 14436.9055 244.9923 -203419.0707 2486.8995 0.0000 0.0000 52045.1422 -109745.8650 299.1041 -161791.0073 -109383.0382 299.0399 -71.5802 -49.6406 761807.1651 5.4301 5.4127 PRESSURE: 2933400 306.254 -212.397 35.544 -212.396 210.884 141.795 35.545 141.795 -184.11 GPRESSURE: 2933400 424.536 -185.511 43.1336 -62.8399 190.179 70.3807 -4.56182 192.271 -203.76 PRESSAVG: 2933400 50.2481 -5.27306 25.2787 -5.27312 -76.0246 -13.7279 25.2786 -13.7279 -38.9056 GPRESSAVG: 2933400 50.8842 -2.83617 24.6129 -6.96565 -75.4451 -13.4079 27.7904 -15.8171 -39.3076 TIMING: 2933400 CPU: 9271.12, 0.0031805/step Wall: 9271.12, 0.0031805/step, 1.82579 hours remaining, 237.265625 MB of memory in use. ENERGY: 2933400 3988.4140 20496.3640 14422.8222 234.4543 -203887.1112 3030.6424 0.0000 0.0000 52137.8891 -109576.5252 299.6372 -161714.4143 -109223.0650 299.4116 111.0093 136.9853 761043.3357 -21.5607 -21.2895 PRESSURE: 2933600 75.0847 62.8279 100.437 62.8275 -250.607 -6.50517 100.436 -6.5053 -120.695 GPRESSURE: 2933600 109.6 79.3447 182.986 -106.406 -250.246 -62.9756 88.9544 90.885 -69.9909 PRESSAVG: 2933600 35.6307 14.7866 -14.9032 14.7866 7.42371 71.7921 -14.9031 71.792 -13.5759 GPRESSAVG: 2933600 35.6646 13.0362 -13.0177 13.7016 8.34777 70.9199 -17.769 74.7986 -13.8041 TIMING: 2933600 CPU: 9271.75, 0.00316082/step Wall: 9271.75, 0.00316082/step, 1.81431 hours remaining, 237.265625 MB of memory in use. ENERGY: 2933600 3916.6708 20450.5019 14391.7755 220.0791 -203367.4573 2529.2845 0.0000 0.0000 52149.4777 -109709.6679 299.7038 -161859.1455 -109347.6803 299.6655 -98.7392 -70.2122 763388.7886 9.8262 10.0694 PRESSURE: 2933800 -9.18826 -123.504 32.1925 -123.503 -79.3513 -67.5517 32.1925 -67.5531 10.0481 GPRESSURE: 2933800 -87.3351 -52.0611 -10.4147 -101.787 -23.9533 -37.4781 -65.4564 -194.483 144.831 PRESSAVG: 2933800 1.69162 -27.2234 -62.8782 -27.2234 -2.36554 -10.8404 -62.8782 -10.8403 10.1788 GPRESSAVG: 2933800 1.74868 -29.1324 -64.1334 -24.9019 -3.80657 -7.91005 -61.5952 -12.3662 11.0732 TIMING: 2933800 CPU: 9272.39, 0.00318698/step Wall: 9272.39, 0.00318698/step, 1.82915 hours remaining, 237.265625 MB of memory in use. ENERGY: 2933800 4039.2743 20532.4588 14365.8906 237.8107 -203355.8667 2479.7401 0.0000 0.0000 51985.8188 -109714.8734 298.7632 -161700.6922 -109352.1797 298.7582 -26.1638 11.1810 760485.1394 3.1683 3.0051 PRESSURE: 2934000 15.0312 240.815 67.4991 240.814 153.568 -183.01 67.4999 -183.012 172.514 GPRESSURE: 2934000 20.6528 288.786 16.7853 160.441 206.476 -235.274 172.596 -129.555 204.041 PRESSAVG: 2934000 -29.9266 13.8348 24.5291 13.8348 -1.11371 -40.5008 24.5291 -40.5007 -4.08589 GPRESSAVG: 2934000 -31.1752 17.0044 25.5 13.2056 -0.523085 -42.0466 24.2164 -41.2807 -3.91101 TIMING: 2934000 CPU: 9273.02, 0.00316792/step Wall: 9273.02, 0.00316792/step, 1.81803 hours remaining, 237.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2934000 3884.1092 20423.2163 14363.9292 245.7164 -203451.7305 2689.9682 0.0000 0.0000 52118.1118 -109726.6796 299.5235 -161844.7914 -109348.7513 298.9499 113.7045 143.7232 760992.9756 -11.7087 -11.8698 PRESSURE: 2934200 -242.712 -255.939 -51.3458 -255.939 -39.1918 -134.6 -51.3461 -134.601 -181.371 GPRESSURE: 2934200 -173.379 -193.625 -74.9675 -181.828 32.7762 -155.694 -72.2221 -75.8376 -248.073 PRESSAVG: 2934200 49.1548 -37.7711 14.2374 -37.7711 -8.35245 -19.7525 14.2374 -19.7525 25.3678 GPRESSAVG: 2934200 50.1182 -38.3591 13.7407 -38.3241 -8.15479 -20.2816 14.7001 -17.4121 24.3027 TIMING: 2934200 CPU: 9273.65, 0.00314844/step Wall: 9273.65, 0.00314844/step, 1.80668 hours remaining, 237.265625 MB of memory in use. ENERGY: 2934200 3902.6417 20503.4824 14369.2426 248.1821 -203390.9160 2494.3099 0.0000 0.0000 51747.6568 -110125.4005 297.3945 -161873.0573 -109758.5677 298.4140 -154.4252 -129.5586 760450.5563 22.0567 22.0887 PRESSURE: 2934400 56.139 -156.353 232.078 -156.353 -241.889 -25.1874 232.078 -25.1869 -524.503 GPRESSURE: 2934400 37.6337 -138.367 198.87 49.3514 -194.176 -79.3146 278.783 45.109 -451.183 PRESSAVG: 2934400 28.3514 40.8516 -23.4563 40.8516 29.048 -13.9205 -23.4564 -13.9205 -6.69075 GPRESSAVG: 2934400 28.766 37.6482 -23.5958 42.8581 28.3619 -15.447 -24.7523 -14.911 -5.91032 TIMING: 2934400 CPU: 9274.28, 0.00313569/step Wall: 9274.28, 0.00313569/step, 1.79919 hours remaining, 237.265625 MB of memory in use. ENERGY: 2934400 3984.0411 20426.0563 14384.9097 259.3866 -203526.5201 2307.0271 0.0000 0.0000 51995.1248 -110169.9746 298.8167 -162165.0994 -109811.5162 297.9467 -236.7510 -202.5753 761054.7559 16.9029 17.0725 PRESSURE: 2934600 -61.5482 -136.438 -100.996 -136.439 -94.7728 -67.9297 -100.995 -67.9298 -181.497 GPRESSURE: 2934600 57.8665 -175.764 -94.3953 -136.505 -107.838 -29.1941 -130.39 22.8745 -230.851 PRESSAVG: 2934600 69.3426 -27.5841 11.3442 -27.5841 -91.8888 -5.66151 11.3442 -5.66148 34.6272 GPRESSAVG: 2934600 69.3248 -25.877 10.4897 -28.122 -90.8629 -5.88723 13.5224 -3.87679 33.2602 TIMING: 2934600 CPU: 9274.91, 0.00315262/step Wall: 9274.91, 0.00315262/step, 1.80873 hours remaining, 237.265625 MB of memory in use. ENERGY: 2934600 4045.2620 20620.8731 14373.3530 242.1149 -203903.5166 2774.7691 0.0000 0.0000 51896.0127 -109951.1317 298.2471 -161847.1444 -109584.5615 298.2294 -112.6061 -93.6075 761933.0434 4.0270 3.9074 PRESSURE: 2934800 135.979 -57.9771 167.54 -57.9771 83.7293 15.4301 167.54 15.4296 131.714 GPRESSURE: 2934800 269.269 -8.45072 214.798 21.6949 96.3622 -23.5477 108.7 22.5503 59.6252 PRESSAVG: 2934800 74.4481 -21.8451 -16.2215 -21.8451 -77.6697 -7.33069 -16.2215 -7.33059 6.95119 GPRESSAVG: 2934800 75.7467 -21.4216 -15.4626 -22.7352 -79.1182 -5.28694 -17.5577 -9.23769 7.57144 TIMING: 2934800 CPU: 9275.54, 0.00314263/step Wall: 9275.54, 0.00314263/step, 1.80282 hours remaining, 237.265625 MB of memory in use. ENERGY: 2934800 3920.8333 20474.9256 14477.6182 247.2819 -203518.5252 2541.7820 0.0000 0.0000 51900.7478 -109955.3364 298.2743 -161856.0841 -109588.6670 298.3649 117.1410 141.7520 759502.0288 1.2432 1.4000 PRESSURE: 2935000 29.5781 98.4289 -235.5 98.4294 306.289 74.2585 -235.5 74.2587 100.983 GPRESSURE: 2935000 67.627 198.968 -167.973 187.253 345.015 -2.75758 -106.689 118.74 101.896 PRESSAVG: 2935000 17.1256 -18.6708 26.7398 -18.6708 -26.2856 16.9691 26.7399 16.9691 -16.254 GPRESSAVG: 2935000 16.2075 -20.265 28.0015 -19.3202 -26.029 17.1988 26.6903 14.5877 -15.6918 TIMING: 2935000 CPU: 9276.16, 0.00313538/step Wall: 9276.16, 0.00313538/step, 1.79849 hours remaining, 237.265625 MB of memory in use. ENERGY: 2935000 3932.7051 20680.7932 14377.7167 240.5826 -203376.9881 2483.5683 0.0000 0.0000 51818.7426 -109842.8795 297.8030 -161661.6221 -109493.3464 298.2637 145.6167 171.5126 760943.5275 -8.4713 -8.5044 PRESSURE: 2935200 -30.9615 -58.0554 -122.819 -58.0556 60.495 -304.283 -122.818 -304.282 -55.6949 GPRESSURE: 2935200 23.2828 9.65886 -35.4346 -149.895 99.1727 -210.235 -154.568 -287.367 -60.865 PRESSAVG: 2935200 3.83431 31.362 -50.1292 31.362 33.9938 -32.7781 -50.1291 -32.7781 -12.4543 GPRESSAVG: 2935200 4.13282 34.2073 -51.8235 30.3421 34.7637 -32.2663 -49.9886 -30.2372 -12.777 TIMING: 2935200 CPU: 9276.8, 0.00316052/step Wall: 9276.8, 0.00316052/step, 1.81273 hours remaining, 237.265625 MB of memory in use. ENERGY: 2935200 4050.7235 20396.4069 14455.3218 257.2845 -203766.3221 2899.6204 0.0000 0.0000 52026.5622 -109680.4027 298.9974 -161706.9649 -109318.1964 298.6167 -8.7205 20.5301 759955.7740 8.4580 8.7065 PRESSURE: 2935400 -203.813 -138.597 -222.062 -138.598 5.24288 164.385 -222.062 164.385 187.136 GPRESSURE: 2935400 -150.92 -131.702 -205.743 23.3255 45.0237 41.44 -115.283 154.087 180.489 PRESSAVG: 2935400 -10.332 -18.0157 -15.9238 -18.0158 33.5022 20.6513 -15.9238 20.6514 -10.4345 GPRESSAVG: 2935400 -11.071 -21.8939 -15.4553 -15.795 34.1311 18.7537 -14.3783 21.0738 -10.6253 TIMING: 2935400 CPU: 9277.43, 0.00316153/step Wall: 9277.43, 0.00316153/step, 1.81314 hours remaining, 237.265625 MB of memory in use. ENERGY: 2935400 3960.2759 20425.6431 14434.1863 237.1527 -202882.7017 2202.7774 0.0000 0.0000 52145.5728 -109477.0936 299.6813 -161622.6664 -109119.8104 298.8094 -3.8113 24.8640 760819.6461 4.2452 4.1449 PRESSURE: 2935600 -72.2787 -191.977 192.797 -191.978 250.388 -305.396 192.797 -305.395 269.978 GPRESSURE: 2935600 49.4831 -171.308 227.733 -217.115 250.893 -273.154 184.97 -160.164 232.892 PRESSAVG: 2935600 1.96856 -34.4285 13.3422 -34.4286 -18.0341 -12.2706 13.3421 -12.2707 -4.7239 GPRESSAVG: 2935600 3.27271 -30.0496 13.8984 -36.0942 -17.8851 -12.3316 10.1196 -12.6928 -5.3401 TIMING: 2935600 CPU: 9278.06, 0.0031445/step Wall: 9278.06, 0.0031445/step, 1.8032 hours remaining, 237.265625 MB of memory in use. ENERGY: 2935600 3988.3739 20279.8517 14452.2039 238.5335 -203167.9789 2630.1728 0.0000 0.0000 52194.4696 -109384.3734 299.9623 -161578.8430 -109018.8186 299.2744 149.3622 177.7559 761144.5499 -6.9298 -6.6508 PRESSURE: 2935800 -228.988 73.8599 204.174 73.8599 -259.038 114.463 204.173 114.462 -427.759 GPRESSURE: 2935800 -248.739 -46.6794 179.748 101.474 -191.734 149.47 72.9855 22.6493 -377.41 PRESSAVG: 2935800 -29.109 -20.8376 21.6879 -20.8376 -6.85797 42.7902 21.6879 42.7902 -13.3707 GPRESSAVG: 2935800 -28.9367 -23.3847 20.4548 -20.3411 -8.426 41.9529 22.9443 43.4275 -11.5454 TIMING: 2935800 CPU: 9278.69, 0.00315488/step Wall: 9278.69, 0.00315487/step, 1.80897 hours remaining, 237.265625 MB of memory in use. ENERGY: 2935800 4020.4112 20246.7823 14443.0436 242.0148 -202926.6244 2296.3785 0.0000 0.0000 52200.6341 -109477.3598 299.9978 -161677.9940 -109109.5216 299.2683 -305.2615 -272.6277 761283.8579 -16.4459 -16.3027 PRESSURE: 2936000 -57.4224 45.3103 -143.731 45.3108 -3.54997 -77.9542 -143.732 -77.9549 471.716 GPRESSURE: 2936000 10.9845 -2.76571 -152.057 26.9498 59.743 -102.479 -81.5481 -209.297 416.204 PRESSAVG: 2936000 15.199 29.5432 -23.876 29.5432 -22.2674 -11.2795 -23.876 -11.2795 17.6626 GPRESSAVG: 2936000 14.1804 27.4243 -23.47 30.5012 -20.1279 -11.8065 -24.8439 -12.5113 16.3653 TIMING: 2936000 CPU: 9279.32, 0.00315132/step Wall: 9279.32, 0.00315132/step, 1.80676 hours remaining, 237.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2936000 3996.0598 20450.5140 14424.6197 238.6495 -203019.6481 2488.2461 0.0000 0.0000 52124.2965 -109297.2625 299.5590 -161421.5590 -108941.3356 299.1846 136.9145 162.3107 762635.0831 3.5314 3.4726 PRESSURE: 2936200 -250.677 182.828 120.047 182.828 -257.041 -190.096 120.047 -190.096 -319.057 GPRESSURE: 2936200 -198.937 141.538 97.8809 152.295 -303.419 -120.323 15.1141 -105.843 -245.536 PRESSAVG: 2936200 23.7373 9.13768 -26.2176 9.13773 -8.84016 -70.2756 -26.2177 -70.2755 -26.2922 GPRESSAVG: 2936200 23.8936 13.3887 -26.063 7.28871 -8.8889 -71.0032 -26.9032 -67.2128 -26.1504 TIMING: 2936200 CPU: 9279.95, 0.0031382/step Wall: 9279.95, 0.0031382/step, 1.79906 hours remaining, 237.265625 MB of memory in use. ENERGY: 2936200 4022.3968 20396.3822 14376.8715 252.0469 -203191.5201 2675.5659 0.0000 0.0000 51965.0071 -109503.2498 298.6436 -161468.2569 -109141.8585 299.1846 -275.5918 -249.2972 764460.8664 -3.7984 -3.7152 LDB: ============= START OF LOAD BALANCING ============== 9292.35 LDB: ============== END OF LOAD BALANCING =============== 9292.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9292.35 LDB: ============= START OF LOAD BALANCING ============== 9292.66 LDB: Largest compute 7036 load 0.031365 is 16.0% of average load 0.195964 LDB: Average compute 0.004379 is 2.2% of average load 0.195964 LDB: TIME 9292.66 LOAD: AVG 0.195964 MAX 0.21907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.371 MB LDB: TIME 9292.66 LOAD: AVG 0.195964 MAX 0.21907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.574 MB LDB: TIME 9292.66 LOAD: AVG 0.195964 MAX 0.21907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9292.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 9292.67 Info: useSync: 0 useProxySync: 0 PRESSURE: 2936400 52.108 122.807 -77.099 122.807 -86.2464 58.5689 -77.0976 58.5699 62.4412 GPRESSURE: 2936400 114.037 34.5435 -32.963 167.744 -17.7149 68.7512 -117.462 34.9943 22.8748 PRESSAVG: 2936400 -1.68366 2.46506 -18.8803 2.46501 16.0457 16.9594 -18.8802 16.9593 -0.451185 GPRESSAVG: 2936400 -0.672312 -1.31438 -19.8615 5.62405 15.4522 19.6146 -17.1659 14.9635 -0.506039 TIMING: 2936400 CPU: 9280.59, 0.00320834/step Wall: 9280.59, 0.00320834/step, 1.83909 hours remaining, 237.640625 MB of memory in use. ENERGY: 2936400 4005.4394 20487.8965 14428.2816 232.4222 -203059.4034 2355.8939 0.0000 0.0000 52139.9871 -109409.4828 299.6492 -161549.4699 -109055.5050 299.5263 9.4343 39.7322 761856.0564 4.6369 4.7580 PRESSURE: 2936600 237.689 -50.7309 -88.5965 -50.7309 -385.325 -35.2037 -88.597 -35.2042 86.7152 GPRESSURE: 2936600 222.059 -24.4979 -49.1833 15.6226 -220.59 -51.227 -147.469 46.5999 39.2029 PRESSAVG: 2936600 54.7173 2.97352 27.4657 2.97358 -64.9021 1.3174 27.4657 1.31737 -4.1427 GPRESSAVG: 2936600 56.0754 3.81678 28.8729 1.73851 -66.3259 1.91024 26.6931 -0.0119194 -4.34456 TIMING: 2936600 CPU: 9281.22, 0.00317018/step Wall: 9281.22, 0.00317018/step, 1.81704 hours remaining, 237.640625 MB of memory in use. ENERGY: 2936600 3977.9947 20430.0545 14427.8527 229.4599 -203209.9767 2582.4426 0.0000 0.0000 51936.2632 -109625.9092 298.4784 -161562.1724 -109273.2353 299.4557 -20.3071 13.5571 762199.2053 -4.7758 -4.8650 PRESSURE: 2936800 191.433 -2.31838 117.84 -2.31752 -157.767 179.377 117.84 179.377 2.10477 GPRESSURE: 2936800 228.102 -92.1009 142.813 -32.4577 -91.5874 221.859 97.4935 222.869 0.813497 PRESSAVG: 2936800 37.7823 -24.846 17.3851 -24.8459 -8.5427 59.0771 17.3851 59.0771 16.7123 GPRESSAVG: 2936800 36.4199 -23.5854 16.0769 -25.8638 -5.91452 58.3338 15.9041 58.7969 15.6072 TIMING: 2936800 CPU: 9281.85, 0.00315138/step Wall: 9281.85, 0.00315138/step, 1.80609 hours remaining, 237.640625 MB of memory in use. ENERGY: 2936800 3994.5132 20403.7774 14470.5249 247.2707 -203262.8783 2648.0015 0.0000 0.0000 51920.0172 -109578.7734 298.3851 -161498.7906 -109221.1815 298.8282 11.9236 45.7760 763055.4432 15.3173 15.3708 PRESSURE: 2937000 -59.7258 -332.491 -47.0699 -332.49 -59.8216 -80.0336 -47.0698 -80.0341 37.7611 GPRESSURE: 2937000 -57.7875 -300.078 -74.4302 -248.711 -29.8448 18.5995 -90.6239 -159.449 96.2318 PRESSAVG: 2937000 -19.668 -56.485 1.63327 -56.4851 -11.1647 20.4229 1.63322 20.423 10.9605 GPRESSAVG: 2937000 -19.1483 -56.5723 2.38689 -53.2343 -12.525 20.2487 2.54656 20.4818 11.6509 TIMING: 2937000 CPU: 9282.48, 0.00314826/step Wall: 9282.48, 0.00314826/step, 1.80413 hours remaining, 237.640625 MB of memory in use. ENERGY: 2937000 4019.3325 20578.3036 14463.0894 262.4534 -203269.8135 2533.6021 0.0000 0.0000 52100.6273 -109312.4052 299.4230 -161413.0325 -108949.5394 299.3272 -27.2621 2.8665 762694.0623 -6.6241 -6.6741 PRESSURE: 2937200 94.0903 -36.848 238.293 -36.8482 113.326 168.032 238.293 168.031 -175.127 GPRESSURE: 2937200 168.017 -70.1934 86.3293 -16.3619 124.108 134.679 242.615 155.009 -189.177 PRESSAVG: 2937200 -1.67039 -57.805 -51.4867 -57.805 13.4011 50.1178 -51.4867 50.1178 36.215 GPRESSAVG: 2937200 -3.26414 -58.8536 -53.2238 -59.2245 14.5112 50.533 -51.1185 51.4442 36.6818 TIMING: 2937200 CPU: 9283.11, 0.00314193/step Wall: 9283.11, 0.00314193/step, 1.80032 hours remaining, 237.640625 MB of memory in use. ENERGY: 2937200 4017.0464 20558.1265 14353.9617 226.7941 -202821.7658 2356.3554 0.0000 0.0000 51970.6767 -109338.8050 298.6762 -161309.4817 -108984.4465 299.7826 10.7629 34.3158 762141.7445 15.9819 15.9763 PRESSURE: 2937400 103.042 -15.8225 -315.828 -15.8222 11.8928 -74.0052 -315.827 -74.0054 -160.504 GPRESSURE: 2937400 179.283 -41.8498 -277.649 10.9515 17.6254 -69.2754 -240.784 -40.4085 -161.32 PRESSAVG: 2937400 12.0424 -8.15684 -6.03385 -8.15684 16.5083 -11.5487 -6.03382 -11.5486 19.0956 GPRESSAVG: 2937400 12.7062 -8.82111 -5.06561 -10.2163 15.9796 -11.2495 -4.16356 -13.1853 18.6356 TIMING: 2937400 CPU: 9283.74, 0.00314736/step Wall: 9283.74, 0.00314736/step, 1.80326 hours remaining, 237.640625 MB of memory in use. ENERGY: 2937400 3946.3595 20311.9513 14399.3089 271.5662 -202875.3330 2463.4894 0.0000 0.0000 52223.2366 -109259.4211 300.1277 -161482.6577 -108885.0819 299.6463 -15.1899 11.8629 763898.6224 15.8821 15.7738 PRESSURE: 2937600 -66.3066 84.3507 -4.74458 84.3507 6.98173 -33.0178 -4.74398 -33.0177 -18.9176 GPRESSURE: 2937600 -76.458 51.3002 83.0832 55.3246 81.7844 -73.6089 16.2956 -94.3274 4.39122 PRESSAVG: 2937600 -25.2109 1.27651 15.0284 1.27648 -16.8076 -1.62903 15.0285 -1.62907 -31.7624 GPRESSAVG: 2937600 -25.5036 2.91764 15.5115 1.16579 -17.1343 -1.86077 13.894 -0.331017 -31.3124 TIMING: 2937600 CPU: 9284.37, 0.0031403/step Wall: 9284.37, 0.0031403/step, 1.79904 hours remaining, 237.640625 MB of memory in use. ENERGY: 2937600 4065.7226 20610.5242 14375.8166 245.9146 -202829.2701 2378.5189 0.0000 0.0000 51900.3494 -109252.4238 298.2720 -161152.7732 -108905.8865 299.3543 -26.0808 3.2392 763098.8973 -24.5936 -24.6501 PRESSURE: 2937800 -108.975 31.8047 156.016 31.8039 94.4988 195.291 156.016 195.29 -165.266 GPRESSURE: 2937800 -54.8496 7.64018 197.731 118.46 127.133 240.954 123.75 100.122 -169.117 PRESSAVG: 2937800 -15.2156 5.56724 22.7341 5.56718 -0.876066 -32.8499 22.7341 -32.85 -7.43696 GPRESSAVG: 2937800 -14.9184 6.01683 21.1349 7.08966 -0.717205 -32.5216 21.9905 -32.7204 -7.61048 TIMING: 2937800 CPU: 9285, 0.00313914/step Wall: 9285, 0.00313914/step, 1.7982 hours remaining, 237.640625 MB of memory in use. ENERGY: 2937800 4023.1712 20543.2104 14387.6963 248.2531 -203277.4750 2462.5641 0.0000 0.0000 52132.3218 -109480.2582 299.6052 -161612.5800 -109119.1602 299.4012 -59.9142 -32.2780 761865.6467 -7.8429 -7.7487 PRESSURE: 2938000 -127.037 12.1152 5.14041 12.1152 -150.717 -146.939 5.14062 -146.938 62.6849 GPRESSURE: 2938000 -111.11 58.5412 139.383 20.1923 -87.5637 -192.026 -89.0227 -135.962 63.5368 PRESSAVG: 2938000 -2.9827 -20.9775 6.07442 -20.9775 24.3167 37.4637 6.07445 37.4637 6.03457 GPRESSAVG: 2938000 -2.31794 -21.5661 8.5205 -21.3984 23.7817 37.0187 6.44387 36.6296 6.0251 TIMING: 2938000 CPU: 9285.63, 0.0031514/step Wall: 9285.63, 0.0031514/step, 1.80505 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2938000 3925.2743 20497.7458 14405.1819 250.3830 -202701.5172 2034.0359 0.0000 0.0000 52213.5130 -109375.3833 300.0718 -161588.8963 -109006.8660 299.3100 -71.6898 -45.0457 762107.2468 9.1229 9.1629 PRESSURE: 2938200 63.5117 -78.538 -73.1216 -78.539 -147.711 -168.689 -73.1218 -168.689 124.783 GPRESSURE: 2938200 62.1972 -142.683 -33.0702 -134.99 -5.50608 -158.954 -175.095 -254.551 79.1947 PRESSAVG: 2938200 -11.4026 -33.7129 -17.4462 -33.713 37.9203 7.39657 -17.4462 7.3966 -0.603806 GPRESSAVG: 2938200 -12.5047 -33.5299 -18.7311 -34.597 37.589 6.29685 -18.0079 9.58798 0.257481 TIMING: 2938200 CPU: 9286.26, 0.00316443/step Wall: 9286.26, 0.00316443/step, 1.81234 hours remaining, 237.640625 MB of memory in use. ENERGY: 2938200 3905.2092 20547.5338 14446.6083 251.9725 -203314.0803 2522.6168 0.0000 0.0000 52160.2104 -109479.9293 299.7654 -161640.1397 -109112.6861 299.8877 13.5279 45.2953 760414.0692 8.6379 8.4473 PRESSURE: 2938400 350.49 35.5259 -156.932 35.5266 81.2589 -123.887 -156.932 -123.888 166.105 GPRESSURE: 2938400 393.218 -12.4742 -171.776 4.62258 82.2712 -149.718 -120.794 -102.03 205.604 PRESSAVG: 2938400 28.2861 -65.4853 0.323536 -65.4853 -20.9732 -6.65938 0.323565 -6.6594 6.55661 GPRESSAVG: 2938400 28.3916 -65.7981 -0.772598 -66.2825 -20.0575 -7.4536 1.143 -6.21312 5.72929 TIMING: 2938400 CPU: 9286.89, 0.00315901/step Wall: 9286.89, 0.00315901/step, 1.80906 hours remaining, 237.640625 MB of memory in use. ENERGY: 2938400 3913.0486 20564.2289 14355.5859 256.0101 -203775.6902 2931.0084 0.0000 0.0000 52319.6594 -109436.1489 300.6818 -161755.8083 -109076.0790 299.1927 199.2848 227.0311 761474.0338 4.6232 4.6878 PRESSURE: 2938600 -511.86 106.43 152.627 106.431 -34.6954 -10.2406 152.627 -10.2397 -208.506 GPRESSURE: 2938600 -410.622 24.3075 198.697 17.7897 -120.152 10.8939 34.8649 -40.9138 -138.297 PRESSAVG: 2938600 -68.5066 -28.2773 55.0712 -28.2773 63.9686 -48.2656 55.0712 -48.2655 -12.8471 GPRESSAVG: 2938600 -68.3992 -29.492 55.7383 -26.7115 63.3803 -46.2926 52.9219 -48.0723 -12.5835 TIMING: 2938600 CPU: 9287.52, 0.00315297/step Wall: 9287.52, 0.00315297/step, 1.80543 hours remaining, 237.640625 MB of memory in use. ENERGY: 2938600 3977.2073 20486.0605 14305.0656 236.9588 -203239.7580 2527.7352 0.0000 0.0000 52210.8369 -109495.8938 300.0564 -161706.7307 -109128.0799 299.2707 -251.6871 -223.0235 763989.4200 -5.7950 -5.8675 PRESSURE: 2938800 16.413 -87.0392 -149.246 -87.039 10.9261 48.9196 -149.246 48.9186 196.816 GPRESSURE: 2938800 -11.6796 -125.334 -130.76 -101.482 50.2764 64.7142 -35.1222 -64.684 270.397 PRESSAVG: 2938800 10.4052 -67.5579 43.5005 -67.558 5.58422 -1.4391 43.5006 -1.43909 -0.393674 GPRESSAVG: 2938800 10.4428 -67.6089 42.4849 -65.8961 5.90202 -0.613689 45.527 -4.21259 -0.830396 TIMING: 2938800 CPU: 9288.15, 0.00313601/step Wall: 9288.15, 0.00313601/step, 1.79554 hours remaining, 237.640625 MB of memory in use. ENERGY: 2938800 3937.8655 20502.2714 14428.4292 278.9278 -203341.9832 2852.9934 0.0000 0.0000 51942.7278 -109398.7681 298.5156 -161341.4959 -109041.9826 299.3127 74.7183 102.9979 763857.4849 5.1986 5.1715 PRESSURE: 2939000 57.1256 199.882 -43.9162 199.882 -333.331 -146.576 -43.9157 -146.576 -296.192 GPRESSURE: 2939000 -19.1411 156.156 -79.5446 165.144 -169.786 -166.368 43.3473 -63.6824 -297.039 PRESSAVG: 2939000 16.7957 -17.8007 -28.0111 -17.8007 18.175 -12.1974 -28.0111 -12.1974 21.8309 GPRESSAVG: 2939000 16.0228 -16.9642 -27.5681 -19.0847 19.515 -12.4832 -28.7055 -11.8943 21.8902 TIMING: 2939000 CPU: 9288.78, 0.00313329/step Wall: 9288.78, 0.00313329/step, 1.79381 hours remaining, 237.640625 MB of memory in use. ENERGY: 2939000 3968.0396 20584.7596 14413.7678 238.2949 -203252.7697 2534.6919 0.0000 0.0000 52049.5633 -109463.6526 299.1296 -161513.2159 -109108.9810 299.8106 -190.7993 -161.9888 762614.0366 18.9339 19.1427 PRESSURE: 2939200 -11.1309 -118.145 26.2665 -118.145 218.593 -161.471 26.2666 -161.471 -178.416 GPRESSURE: 2939200 -53.0987 -64.0835 65.864 6.73634 227.22 -142.705 -15.4013 -130.563 -89.7074 PRESSAVG: 2939200 -21.9557 -25.6845 -46.1318 -25.6845 -27.0382 -10.8611 -46.1319 -10.8612 20.2666 GPRESSAVG: 2939200 -21.5025 -24.4712 -45.9945 -26.6955 -27.7762 -11.9011 -46.4944 -10.3866 20.7244 TIMING: 2939200 CPU: 9289.4, 0.00313386/step Wall: 9289.4, 0.00313386/step, 1.79396 hours remaining, 237.640625 MB of memory in use. ENERGY: 2939200 4009.6151 20588.1989 14396.1465 245.4432 -203353.2123 2568.8962 0.0000 0.0000 52091.5086 -109453.4038 299.3706 -161544.9123 -109094.2251 299.5576 9.6820 28.1379 763603.2850 -9.5758 -9.5181 PRESSURE: 2939400 202.785 -49.1829 181.285 -49.1821 -222.606 214.704 181.285 214.703 -3.95406 GPRESSURE: 2939400 373.761 46.1774 239.18 -65.0282 -292.426 241.99 287.675 189.384 -24.3877 PRESSAVG: 2939400 39.2129 -15.6455 20.9524 -15.6456 -28.6188 -22.7113 20.9524 -22.7113 -6.70294 GPRESSAVG: 2939400 40.6937 -15.3039 21.5942 -15.6231 -29.5049 -21.1905 22.9323 -21.9372 -7.19077 TIMING: 2939400 CPU: 9290.03, 0.00313344/step Wall: 9290.03, 0.00313344/step, 1.79355 hours remaining, 237.640625 MB of memory in use. ENERGY: 2939400 4051.8055 20566.5635 14383.7434 250.7114 -203611.1701 2825.2470 0.0000 0.0000 52158.1246 -109374.9746 299.7535 -161533.0992 -109019.9327 299.5048 -7.9251 18.9824 761308.0522 1.2970 1.3327 PRESSURE: 2939600 109.922 -118.966 47.1637 -118.966 22.5453 -96.323 47.1628 -96.3238 -130.389 GPRESSURE: 2939600 123.533 -115.55 129.771 -154.527 81.2126 -57.2792 67.2501 -131.541 -102.886 PRESSAVG: 2939600 49.2382 -52.9955 -18.6907 -52.9954 -27.5294 7.52653 -18.6907 7.52648 -4.87922 GPRESSAVG: 2939600 50.1576 -52.5293 -18.4127 -53.1752 -26.8305 7.53249 -18.4744 5.44276 -6.26788 TIMING: 2939600 CPU: 9290.66, 0.00312965/step Wall: 9290.66, 0.00312965/step, 1.7912 hours remaining, 237.640625 MB of memory in use. ENERGY: 2939600 3954.0544 20545.7805 14389.3292 234.0407 -203378.6405 2741.1977 0.0000 0.0000 51999.3119 -109514.9261 298.8408 -161514.2380 -109148.0756 299.6025 0.6928 33.9534 762310.2424 5.6098 5.6864 PRESSURE: 2939800 -41.1036 -71.1804 -112.08 -71.1795 -662.68 104.214 -112.08 104.215 22.432 GPRESSURE: 2939800 -47.0672 -115.72 -92.8641 -135.866 -605.851 57.5454 -225.797 -162.421 59.6101 PRESSAVG: 2939800 32.7426 -25.1381 -1.84458 -25.1381 -36.1112 -18.8203 -1.84461 -18.8203 37.171 GPRESSAVG: 2939800 31.5063 -29.575 -2.18653 -24.2014 -36.9617 -18.6475 -2.37475 -19.5084 38.7783 TIMING: 2939800 CPU: 9291.28, 0.00313985/step Wall: 9291.28, 0.00313985/step, 1.79686 hours remaining, 237.640625 MB of memory in use. ENERGY: 2939800 3942.1513 20507.3144 14381.7879 228.8238 -203047.9875 2419.4764 0.0000 0.0000 51875.4494 -109692.9841 298.1289 -161568.4335 -109328.7079 298.5906 -227.1173 -197.7693 762646.0130 11.2675 11.1076 PRESSURE: 2940000 -33.3675 112.017 127.347 112.017 -45.8832 34.5192 127.347 34.5194 -260.422 GPRESSURE: 2940000 -47.3982 101.798 188.58 1.45628 18.2171 12.1161 72.544 92.9322 -214.388 PRESSAVG: 2940000 29.1511 -31.7491 25.0204 -31.7492 -20.9656 -20.628 25.0204 -20.628 -3.78665 GPRESSAVG: 2940000 28.6728 -30.4794 25.634 -29.1043 -21.2008 -20.9462 25.2184 -17.3658 -3.49929 TIMING: 2940000 CPU: 9291.91, 0.00314878/step Wall: 9291.91, 0.00314878/step, 1.8018 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2940000 4034.0373 20382.8124 14449.1319 242.2420 -203325.6345 2540.8445 0.0000 0.0000 52050.3073 -109626.2593 299.1338 -161676.5666 -109273.1185 298.6570 -113.2242 -81.1897 760998.6046 1.4663 1.3242 PRESSURE: 2940200 -270.247 -22.1186 146.299 -22.1186 -308.009 -71.2447 146.3 -71.2457 -464.757 GPRESSURE: 2940200 -276.676 27.731 202.494 27.1459 -233.016 -9.8339 258.651 -126.933 -443.244 PRESSAVG: 2940200 -10.1336 9.33719 32.1757 9.33721 -9.46889 -12.3199 32.1757 -12.3199 4.54197 GPRESSAVG: 2940200 -10.668 12.7574 30.4225 7.32636 -9.11479 -14.6965 33.3867 -13.312 3.82869 TIMING: 2940200 CPU: 9292.54, 0.00315022/step Wall: 9292.54, 0.00315022/step, 1.80245 hours remaining, 237.640625 MB of memory in use. ENERGY: 2940200 3943.8753 20453.6031 14427.0594 237.1333 -203521.4020 2623.1172 0.0000 0.0000 52165.6986 -109670.9150 299.7970 -161836.6136 -109305.7377 299.1395 -347.6710 -317.6454 761834.1722 -5.0202 -5.3180 LDB: ============= START OF LOAD BALANCING ============== 9304.94 LDB: ============== END OF LOAD BALANCING =============== 9304.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9304.94 LDB: ============= START OF LOAD BALANCING ============== 9305.26 LDB: Largest compute 7068 load 0.032872 is 16.8% of average load 0.196097 LDB: Average compute 0.004415 is 2.3% of average load 0.196097 LDB: TIME 9305.26 LOAD: AVG 0.196097 MAX 0.218387 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 9305.26 LOAD: AVG 0.196097 MAX 0.218387 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 9305.26 LOAD: AVG 0.196097 MAX 0.218387 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 9305.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9305.27 PRESSURE: 2940400 225.313 -16.411 60.2111 -16.4102 63.5939 197.725 60.2104 197.727 67.1819 GPRESSURE: 2940400 204.499 177.091 14.3731 -64.4706 182.834 124.493 81.1945 141.187 51.4551 PRESSAVG: 2940400 62.559 2.43509 52.2546 2.4352 -42.8254 -18.6238 52.2546 -18.6238 -2.81484 GPRESSAVG: 2940400 63.4236 -1.08101 54.4575 3.26486 -43.7806 -17.9009 49.8394 -18.1444 -3.0849 TIMING: 2940400 CPU: 9293.19, 0.00321147/step Wall: 9293.19, 0.00321147/step, 1.83732 hours remaining, 238.718750 MB of memory in use. ENERGY: 2940400 3986.8133 20483.8977 14446.2625 246.2580 -203713.7433 2823.1267 0.0000 0.0000 51988.3918 -109738.9933 298.7780 -161727.3851 -109383.9437 298.9069 118.6962 146.2625 760857.5798 5.6396 5.5194 PRESSURE: 2940600 36.733 11.6206 -4.91635 11.621 -256.506 29.0685 -4.91619 29.0679 -154.091 GPRESSURE: 2940600 55.4635 -2.82257 -46.1054 -3.2786 -180.575 -24.6821 80.3028 -8.91969 -145.4 PRESSAVG: 2940600 -4.73928 15.1717 3.88585 15.1718 53.826 40.7573 3.8859 40.7573 -4.34763 GPRESSAVG: 2940600 -5.17866 16.6766 3.33215 14.4674 53.9371 42.0922 4.47738 40.9398 -3.95789 TIMING: 2940600 CPU: 9293.82, 0.0031513/step Wall: 9293.82, 0.0031513/step, 1.80272 hours remaining, 238.921875 MB of memory in use. ENERGY: 2940600 3835.6060 20734.7171 14403.9980 244.0203 -203434.9397 2649.7539 0.0000 0.0000 51841.6765 -109725.1679 297.9348 -161566.8445 -109371.0712 298.9256 -124.6215 -90.1703 761818.9654 14.9130 14.9335 PRESSURE: 2940800 127.82 -23.5463 7.94871 -23.5459 -484.022 -7.18341 7.94953 -7.18428 41.0596 GPRESSURE: 2940800 169.607 21.5485 -79.9711 19.5391 -448.678 9.79409 65.887 -116.248 69.7686 PRESSAVG: 2940800 19.5477 -70.8841 -23.136 -70.8841 -48.8116 -26.2299 -23.1361 -26.2299 13.013 GPRESSAVG: 2940800 19.2969 -71.4099 -24.8658 -71.2748 -48.6154 -26.5407 -23.2949 -25.0816 13.1291 TIMING: 2940800 CPU: 9294.44, 0.00313866/step Wall: 9294.44, 0.00313866/step, 1.79532 hours remaining, 238.921875 MB of memory in use. ENERGY: 2940800 3967.5111 20601.2204 14402.2240 231.0402 -203492.1367 2695.6138 0.0000 0.0000 51829.5075 -109765.0196 297.8649 -161594.5271 -109409.7297 298.3360 -105.0475 -69.7677 762690.6943 -5.4169 -5.3965 PRESSURE: 2941000 -97.9488 127.742 -229.747 127.742 15.4447 -263.595 -229.748 -263.595 -101.209 GPRESSURE: 2941000 -71.6728 126.015 -305.852 88.9177 120.468 -209.845 -180.613 -208.749 -153.997 PRESSAVG: 2941000 0.705597 -33.2966 27.041 -33.2967 25.0675 -12.8597 27.041 -12.8599 -8.30984 GPRESSAVG: 2941000 -0.689258 -32.3857 29.5181 -33.6887 25.1356 -13.8677 26.2179 -15.4304 -7.80906 TIMING: 2941000 CPU: 9295.07, 0.00314457/step Wall: 9295.07, 0.00314457/step, 1.79852 hours remaining, 238.921875 MB of memory in use. ENERGY: 2941000 3979.5067 20501.2845 14472.1913 262.1374 -203618.8234 2601.5580 0.0000 0.0000 51974.9207 -109827.2246 298.7006 -161802.1454 -109468.2339 299.0370 -61.2378 -35.0673 759892.9121 5.8211 5.5458 PRESSURE: 2941200 -144.44 -139.284 -45.7143 -139.283 -576.894 -208.309 -45.7151 -208.308 -19.2296 GPRESSURE: 2941200 -159.485 -141.388 14.8929 -177.054 -467.043 -176.113 -17.791 -272.422 -22.0917 PRESSAVG: 2941200 45.1335 6.22059 0.4741 6.22053 -36.5914 -1.39501 0.474078 -1.39502 -0.463552 GPRESSAVG: 2941200 46.9831 6.49595 -0.987828 6.31063 -36.0873 -0.814851 1.27226 0.326578 -2.58877 TIMING: 2941200 CPU: 9295.7, 0.00314416/step Wall: 9295.7, 0.00314416/step, 1.79811 hours remaining, 238.921875 MB of memory in use. ENERGY: 2941200 4046.8149 20484.0262 14471.6021 252.0130 -203403.2881 2440.0778 0.0000 0.0000 51960.7417 -109748.0124 298.6191 -161708.7540 -109379.4635 298.6618 -246.8543 -216.2066 761400.3183 2.6928 2.7690 PRESSURE: 2941400 -347.211 -83.1027 47.8887 -83.1019 -20.5859 270.095 47.8888 270.095 -27.77 GPRESSURE: 2941400 -264.668 -35.4602 64.2629 -98.4829 -14.2116 296.424 126.256 227.517 -16.4268 PRESSAVG: 2941400 60.3212 26.0345 -21.3201 26.0344 -43.1946 29.432 -21.32 29.432 15.888 GPRESSAVG: 2941400 59.2633 24.5574 -20.8272 27.8023 -43.3674 29.4762 -20.2813 29.9024 17.0461 TIMING: 2941400 CPU: 9296.33, 0.00313713/step Wall: 9296.33, 0.00313713/step, 1.79392 hours remaining, 238.921875 MB of memory in use. ENERGY: 2941400 3964.6303 20414.0196 14433.2996 241.7932 -203086.7348 2432.6149 0.0000 0.0000 51981.1854 -109619.1917 298.7366 -161600.3770 -109252.7400 298.9836 -131.8558 -98.4354 762509.2665 11.0049 10.9807 PRESSURE: 2941600 -131.356 -161.975 -123.548 -161.976 -111.524 172.456 -123.549 172.456 58.4623 GPRESSURE: 2941600 -168.57 -240.593 -195.203 -107.487 -10.7888 130.609 -69.5559 193.519 83.9277 PRESSAVG: 2941600 33.2055 -12.3338 -37.2275 -12.3337 -46.599 -7.01233 -37.2275 -7.01221 7.18739 GPRESSAVG: 2941600 33.3331 -11.2126 -37.0524 -13.8872 -46.3174 -7.29172 -39.8311 -8.19074 7.23304 TIMING: 2941600 CPU: 9296.95, 0.00313219/step Wall: 9296.95, 0.00313219/step, 1.79092 hours remaining, 238.921875 MB of memory in use. ENERGY: 2941600 3954.9600 20532.0190 14479.6741 265.9745 -203399.1455 2575.0676 0.0000 0.0000 52013.9789 -109577.4714 298.9251 -161591.4504 -109216.9864 298.7268 -61.4727 -31.8104 762270.0361 -2.0687 -1.9171 PRESSURE: 2941800 -103.798 108.136 -4.38873 108.136 -33.9714 -9.99992 -4.38801 -9.99985 -14.2852 GPRESSURE: 2941800 -83.6201 120.241 21.5677 75.0513 88.6261 56.8169 -96.4169 30.9501 -61.598 PRESSAVG: 2941800 -37.512 4.91539 28.5956 4.91541 48.2246 -7.2417 28.5956 -7.24168 -18.1278 GPRESSAVG: 2941800 -38.2653 4.47539 29.8044 5.32075 49.3608 -6.55561 29.0351 -7.99221 -19.0724 TIMING: 2941800 CPU: 9297.59, 0.00315871/step Wall: 9297.59, 0.00315871/step, 1.8059 hours remaining, 238.921875 MB of memory in use. ENERGY: 2941800 3970.4142 20434.7001 14442.9348 233.9814 -203002.9674 2421.5981 0.0000 0.0000 51908.2382 -109591.1007 298.3174 -161499.3389 -109219.6142 299.0268 -50.6850 -18.8640 764136.3486 -2.4718 -2.6590 PRESSURE: 2942000 -249.874 144.868 -145.091 144.867 233.324 21.9259 -145.091 21.9259 442.669 GPRESSURE: 2942000 -176.599 33.7574 -138.052 180.194 261.611 52.8394 -255.522 41.8068 438.419 PRESSAVG: 2942000 4.0528 -18.2496 1.0622 -18.2496 25.1509 -13.4427 1.06216 -13.4426 7.14356 GPRESSAVG: 2942000 5.1093 -17.033 -0.828811 -18.1718 24.1906 -13.7072 0.720532 -13.1166 7.44552 TIMING: 2942000 CPU: 9298.22, 0.0031421/step Wall: 9298.22, 0.0031421/step, 1.79623 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2942000 4012.0903 20342.6277 14420.6430 238.8673 -203986.5749 3033.9895 0.0000 0.0000 52077.1700 -109861.1870 299.2882 -161938.3570 -109488.9896 298.7162 142.0397 174.4771 759930.5662 12.1158 12.2485 PRESSURE: 2942200 -71.0789 109.293 53.4887 109.293 -47.0677 -186.006 53.4894 -186.006 -287.57 GPRESSURE: 2942200 -0.390221 79.1605 68.2817 -10.9191 -63.2185 -177.348 180.651 -234.639 -238.964 PRESSAVG: 2942200 -18.7807 17.1345 24.5718 17.1345 -19.7007 -4.37512 24.5718 -4.37513 14.3198 GPRESSAVG: 2942200 -18.8574 15.9149 24.0726 16.848 -19.644 -5.15202 26.1349 -5.15763 15.0435 TIMING: 2942200 CPU: 9298.84, 0.00314644/step Wall: 9298.84, 0.00314644/step, 1.79854 hours remaining, 238.921875 MB of memory in use. ENERGY: 2942200 4078.3210 20521.8022 14435.2866 235.5983 -203653.5278 2698.4358 0.0000 0.0000 51898.3124 -109785.7715 298.2603 -161684.0839 -109436.6974 298.4232 -135.2389 -100.8575 761476.1243 -8.0539 -7.8193 PRESSURE: 2942400 10.254 83.9742 -62.1279 83.9754 29.3792 241.094 -62.1278 241.093 -238.182 GPRESSURE: 2942400 84.6512 109.9 -7.70687 224.663 43.448 168.808 -50.4757 361.893 -232.392 PRESSAVG: 2942400 70.1831 34.7021 17.6055 34.7021 -78.5641 25.5034 17.6055 25.5033 6.71716 GPRESSAVG: 2942400 70.7877 34.4565 18.937 32.9917 -78.3163 27.3756 15.9413 28.55 5.42925 TIMING: 2942400 CPU: 9299.47, 0.00314844/step Wall: 9299.47, 0.00314844/step, 1.79951 hours remaining, 238.921875 MB of memory in use. ENERGY: 2942400 3987.2335 20347.5587 14427.5516 250.8733 -202932.8309 2313.5047 0.0000 0.0000 51868.1095 -109737.9996 298.0867 -161606.1091 -109385.7677 298.4679 -66.1829 -34.7641 761463.8969 -0.5546 -0.6998 PRESSURE: 2942600 170.304 -41.487 -71.9588 -41.4869 153.453 44.2737 -71.9581 44.2726 52.2061 GPRESSURE: 2942600 141.75 12.9099 -74.5731 -84.0491 258.799 66.0291 -56.1132 126.291 53.4863 PRESSAVG: 2942600 19.2308 60.1006 -7.21634 60.1005 -29.8327 15.3815 -7.21636 15.3814 -31.08 GPRESSAVG: 2942600 18.0499 60.0427 -7.08916 63.1272 -30.0285 15.4516 -6.44247 13.2278 -28.9138 TIMING: 2942600 CPU: 9300.1, 0.0031446/step Wall: 9300.1, 0.0031446/step, 1.79714 hours remaining, 238.921875 MB of memory in use. ENERGY: 2942600 3904.7314 20475.4934 14400.9537 231.4018 -203174.7815 2668.8332 0.0000 0.0000 51745.7983 -109747.5696 297.3838 -161493.3679 -109396.4624 298.5422 125.3210 151.3450 761299.5492 -13.8940 -13.6308 PRESSURE: 2942800 68.3071 110.079 185.858 110.079 78.2745 377.658 185.858 377.658 91.5958 GPRESSURE: 2942800 86.5252 101.502 156.896 -16.4646 66.3146 425.087 66.0109 400.601 171.292 PRESSAVG: 2942800 -5.08193 24.6691 32.9407 24.6691 19.5278 5.73906 32.9407 5.73906 -22.7321 GPRESSAVG: 2942800 -3.51464 24.8204 31.7947 23.2537 19.2517 4.86589 34.0427 4.95827 -24.0352 TIMING: 2942800 CPU: 9300.74, 0.00316498/step Wall: 9300.74, 0.00316498/step, 1.80861 hours remaining, 238.921875 MB of memory in use. ENERGY: 2942800 4010.2568 20223.1077 14419.5382 246.4603 -203159.4589 2353.6715 0.0000 0.0000 51899.3681 -110007.0562 298.2664 -161906.4243 -109638.5484 298.0396 79.3924 108.0438 761495.0532 -2.7621 -2.7660 PRESSURE: 2943000 146.97 4.67919 -199.377 4.67931 176.646 189.092 -199.376 189.092 -257.673 GPRESSURE: 2943000 171.861 -33.9307 -223.554 -143.261 179.042 127.162 -155.097 83.3086 -210.635 PRESSAVG: 2943000 -44.7977 18.0527 -18.629 18.0526 44.9229 40.8689 -18.629 40.8689 -1.71143 GPRESSAVG: 2943000 -46.1427 17.4885 -18.6152 17.8697 46.3251 41.9286 -19.5721 41.7296 -1.17476 TIMING: 2943000 CPU: 9301.37, 0.00317381/step Wall: 9301.37, 0.00317381/step, 1.81348 hours remaining, 238.921875 MB of memory in use. ENERGY: 2943000 3969.0828 20393.7540 14381.8644 235.9344 -203357.0967 2589.1115 0.0000 0.0000 51879.8647 -109907.4849 298.1543 -161787.3497 -109545.6213 297.8915 21.9808 46.7562 760509.6557 -0.5287 -0.3308 PRESSURE: 2943200 256.817 125.728 113.719 125.728 311.494 -34.3799 113.72 -34.3791 485.177 GPRESSURE: 2943200 318.242 110.994 106.679 97.7636 295.154 -95.3129 318.965 -14.5279 529.901 PRESSAVG: 2943200 43.549 0.266658 -3.17732 0.266712 -7.79922 22.532 -3.17728 22.532 8.41266 GPRESSAVG: 2943200 43.7154 2.22993 -3.06077 1.33207 -7.09267 20.957 -3.07592 23.5545 7.59826 TIMING: 2943200 CPU: 9302, 0.00315224/step Wall: 9302, 0.00315224/step, 1.80098 hours remaining, 238.921875 MB of memory in use. ENERGY: 2943200 4014.9207 20264.2805 14389.3511 256.3048 -203546.3526 2760.8209 0.0000 0.0000 51799.0192 -110061.6554 297.6897 -161860.6746 -109704.2364 298.0602 351.1628 381.0987 760518.6611 14.7208 14.7403 PRESSURE: 2943400 -191.773 39.5562 -41.781 39.5566 3.58146 44.4074 -41.7802 44.4069 -11.7673 GPRESSURE: 2943400 -84.1336 -33.4704 -41.8122 113.842 0.826657 85.2264 116.593 63.7006 -10.4529 PRESSAVG: 2943400 -20.4623 11.6543 19.5766 11.6542 51.2273 -7.27551 19.5765 -7.27546 0.0985677 GPRESSAVG: 2943400 -18.1135 9.41146 20.461 11.2429 48.5503 -7.6875 19.9935 -7.35331 0.482427 TIMING: 2943400 CPU: 9302.63, 0.00316188/step Wall: 9302.63, 0.00316188/step, 1.80631 hours remaining, 238.921875 MB of memory in use. ENERGY: 2943400 3878.9975 20501.3854 14349.2658 248.6530 -203371.9438 2419.7294 0.0000 0.0000 51819.0902 -110154.8225 297.8050 -161973.9126 -109795.7743 297.5832 -66.6530 -31.2533 760629.4831 10.2878 10.3064 PRESSURE: 2943600 19.2153 -95.9595 76.2794 -95.9589 89.1838 -13.2721 76.2782 -13.2728 84.4372 GPRESSURE: 2943600 -6.7341 -181.387 73.3039 -49.5223 151.076 -88.1443 -12.5982 -71.0459 134.57 PRESSAVG: 2943600 19.3339 16.9603 -23.9848 16.9604 4.67414 8.3518 -23.9848 8.35184 5.73483 GPRESSAVG: 2943600 18.2639 17.9378 -26.4055 17.1638 6.1453 8.56569 -23.3568 7.10496 5.47 TIMING: 2943600 CPU: 9303.26, 0.00314959/step Wall: 9303.26, 0.00314959/step, 1.79912 hours remaining, 238.921875 MB of memory in use. ENERGY: 2943600 3945.5635 20482.6485 14249.3798 240.5684 -203512.3257 2623.0681 0.0000 0.0000 52215.6795 -109755.4178 300.0842 -161971.0974 -109388.0777 298.5618 64.2788 92.9704 760385.7252 9.9143 9.9597 PRESSURE: 2943800 -339.043 154.653 -163.021 154.653 -219.54 105.668 -163.021 105.669 -345.843 GPRESSURE: 2943800 -233.59 108.031 -176.646 66.624 -243.123 154.745 -87.8417 57.8904 -345.767 PRESSAVG: 2943800 -7.0536 -57.45 -14.1241 -57.45 -26.2124 30.3152 -14.1241 30.3152 8.73347 GPRESSAVG: 2943800 -8.21657 -58.977 -13.416 -57.2674 -25.7348 30.0187 -13.8991 30.152 9.93094 TIMING: 2943800 CPU: 9303.89, 0.00314073/step Wall: 9303.89, 0.00314073/step, 1.79388 hours remaining, 238.921875 MB of memory in use. ENERGY: 2943800 4033.4210 20515.5965 14315.1311 243.7963 -203043.9342 2620.2409 0.0000 0.0000 51508.1623 -109807.5862 296.0181 -161315.7485 -109448.1552 298.0523 -301.4753 -274.1598 762997.5403 -8.1775 -8.0068 PRESSURE: 2944000 39.2191 105.021 33.1761 105.021 330.819 130.414 33.1753 130.415 255.35 GPRESSURE: 2944000 155.968 79.5359 -1.40878 -19.3047 329.151 105.742 84.5082 -3.73818 209.595 PRESSAVG: 2944000 27.3084 -21.4554 4.81892 -21.4555 -51.217 46.8474 4.81892 46.8473 -10.2411 GPRESSAVG: 2944000 28.6297 -21.9392 5.59022 -22.9972 -51.6932 47.4018 5.73189 49.4607 -11.0515 TIMING: 2944000 CPU: 9304.52, 0.00314632/step Wall: 9304.52, 0.00314632/step, 1.7969 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2944000 3892.5689 20513.3083 14410.9245 237.9827 -203637.2492 2599.3154 0.0000 0.0000 52053.3444 -109929.8049 299.1513 -161983.1493 -109564.1139 298.0534 208.4628 231.5712 761739.1789 -11.3832 -11.3717 PRESSURE: 2944200 -39.1691 -75.6361 -159.76 -75.6359 -408.759 -27.5416 -159.76 -27.5422 164.679 GPRESSURE: 2944200 -53.6155 32.7606 -119.115 -91.1856 -355.023 55.4854 -4.85746 -89.0905 216.861 PRESSAVG: 2944200 17.0711 -21.7139 18.2336 -21.7139 -9.89575 32.3442 18.2336 32.3443 -0.871831 GPRESSAVG: 2944200 15.3512 -20.5661 19.4162 -21.385 -9.35942 30.808 17.1409 31.2923 -0.636862 TIMING: 2944200 CPU: 9305.15, 0.00314771/step Wall: 9305.15, 0.00314771/step, 1.79752 hours remaining, 238.921875 MB of memory in use. ENERGY: 2944200 3955.9990 20526.3972 14368.5286 260.0611 -203417.7359 2562.6864 0.0000 0.0000 51517.9310 -110226.1327 296.0743 -161744.0637 -109875.3600 297.4323 -94.4162 -63.9257 762197.1338 2.1012 1.7850 LDB: ============= START OF LOAD BALANCING ============== 9317.55 LDB: ============== END OF LOAD BALANCING =============== 9317.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9317.55 LDB: ============= START OF LOAD BALANCING ============== 9317.87 LDB: Largest compute 7036 load 0.031710 is 16.2% of average load 0.195976 LDB: Average compute 0.004374 is 2.2% of average load 0.195976 LDB: TIME 9317.87 LOAD: AVG 0.195976 MAX 0.219311 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 9317.87 LOAD: AVG 0.195976 MAX 0.219311 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 9317.87 LOAD: AVG 0.195976 MAX 0.217171 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 9317.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9317.88 PRESSURE: 2944400 31.0653 4.64458 -145.756 4.64418 -78.7079 86.1895 -145.755 86.1898 -88.0546 GPRESSURE: 2944400 20.0487 107.085 -55.2014 -6.78272 -10.069 45.8538 -126.874 56.2807 -87.5982 PRESSAVG: 2944400 94.9883 11.17 4.66002 11.1701 -91.6332 58.7315 4.66004 58.7315 -4.56775 GPRESSAVG: 2944400 94.8066 10.7338 5.16653 12.5375 -90.2288 61.044 4.33339 59.0373 -5.6927 TIMING: 2944400 CPU: 9305.79, 0.00322067/step Wall: 9305.79, 0.00322067/step, 1.839 hours remaining, 238.468750 MB of memory in use. ENERGY: 2944400 4020.1936 20384.7708 14355.6759 245.9396 -203783.3236 2674.6490 0.0000 0.0000 51900.4096 -110201.6851 298.2724 -162102.0946 -109841.0447 297.4723 -45.2324 -25.8728 760933.2599 -0.4042 -0.3716 PRESSURE: 2944600 2.7589 -87.7255 -142.22 -87.7242 -8.34874 -91.0767 -142.22 -91.0755 -122.924 GPRESSURE: 2944600 84.314 -84.0814 -140.316 -24.8418 41.3942 -153.317 -62.8014 63.8698 -161.347 PRESSAVG: 2944600 45.0971 73.8073 13.3499 73.8073 -41.9843 83.1376 13.3499 83.1377 -8.13135 GPRESSAVG: 2944600 45.261 74.9668 11.8089 75.6834 -44.1854 82.5237 13.8487 84.2347 -6.07696 TIMING: 2944600 CPU: 9306.43, 0.00317124/step Wall: 9306.43, 0.00317124/step, 1.8106 hours remaining, 238.671875 MB of memory in use. ENERGY: 2944600 3957.2001 20413.7225 14344.6570 243.8036 -203153.2052 2517.5975 0.0000 0.0000 51575.9872 -110100.2373 296.4079 -161676.2245 -109738.9104 297.5079 -42.8381 -11.8796 761883.2603 -1.6728 -1.6671 PRESSURE: 2944800 89.6188 33.8285 194.55 33.8297 -327.767 -47.8384 194.551 -47.8384 -104.739 GPRESSURE: 2944800 71.2992 74.1302 168.921 -24.5539 -249.441 -83.8046 201.277 -115.351 -69.954 PRESSAVG: 2944800 10.7608 -21.7372 70.4677 -21.7372 -32.9616 32.4522 70.4677 32.4522 -13.3247 GPRESSAVG: 2944800 12.2124 -21.5677 70.2446 -24.5061 -32.3125 32.5489 71.4864 30.5323 -15.184 TIMING: 2944800 CPU: 9307.06, 0.00315601/step Wall: 9307.06, 0.00315601/step, 1.80173 hours remaining, 238.671875 MB of memory in use. ENERGY: 2944800 3899.3056 20472.4411 14424.1204 239.9419 -203565.5462 2671.3004 0.0000 0.0000 51672.6907 -110185.7462 296.9637 -161858.4369 -109823.9681 297.3511 -114.2959 -82.6985 762111.1843 -11.8418 -11.7614 PRESSURE: 2945000 186.703 53.2074 5.7096 53.2072 125.572 -28.5319 5.70887 -28.5323 20.5257 GPRESSURE: 2945000 274.134 79.3147 50.0446 -14.9516 132.682 -86.6981 -11.5791 49.7096 16.2014 PRESSAVG: 2945000 24.1391 29.5498 83.715 29.5499 -51.9909 -8.42646 83.715 -8.42644 12.482 GPRESSAVG: 2945000 23.977 27.8468 84.7282 31.4912 -52.1985 -9.094 80.9337 -9.59464 13.1538 TIMING: 2945000 CPU: 9307.7, 0.00318463/step Wall: 9307.7, 0.00318464/step, 1.8179 hours remaining, 238.671875 MB of memory in use. ENERGY: 2945000 3922.4395 20228.7910 14419.9369 251.4027 -203830.2049 2848.3781 0.0000 0.0000 51917.3625 -110241.8942 298.3698 -162159.2567 -109881.8231 297.3339 110.9336 141.0058 762249.4112 -5.1233 -5.0226 PRESSURE: 2945200 -17.3854 203.912 93.6801 203.911 -245.997 23.4717 93.6798 23.4714 -195.369 GPRESSURE: 2945200 3.38276 136.828 101.603 98.7597 -221.503 25.7284 172.134 22.9595 -149.58 PRESSAVG: 2945200 14.2877 -10.033 37.4434 -10.033 13.6309 23.5542 37.4435 23.5542 -11.4819 GPRESSAVG: 2945200 13.6452 -7.36599 38.6389 -11.0533 12.8611 25.028 37.8985 22.5585 -10.4409 TIMING: 2945200 CPU: 9308.34, 0.00319427/step Wall: 9308.34, 0.00319427/step, 1.82322 hours remaining, 238.671875 MB of memory in use. ENERGY: 2945200 3985.9677 20277.9707 14419.2490 248.3961 -203581.0787 2640.6602 0.0000 0.0000 51836.9983 -110171.8368 297.9079 -162008.8351 -109821.0544 297.2976 -152.9169 -122.5667 761878.7520 5.4789 5.3551 PRESSURE: 2945400 -73.4328 6.03843 -190.635 6.03917 -72.1299 -275.309 -190.634 -275.308 28.1822 GPRESSURE: 2945400 7.55509 93.2058 -234.426 21.3112 21.94 -316.675 -126.937 -183.498 -62.2275 PRESSAVG: 2945400 17.9828 27.5362 62.2524 27.5362 -25.8093 -17.1176 62.2523 -17.1175 -7.48335 GPRESSAVG: 2945400 19.0546 26.4776 59.971 26.8083 -25.0304 -16.0273 63.0763 -16.9156 -9.36182 TIMING: 2945400 CPU: 9308.97, 0.00316218/step Wall: 9308.97, 0.00316218/step, 1.80473 hours remaining, 238.671875 MB of memory in use. ENERGY: 2945400 3955.5642 20420.9692 14448.5307 253.4552 -203550.3573 2643.1341 0.0000 0.0000 51624.3598 -110204.3441 296.6859 -161828.7039 -109852.1614 297.4477 -39.1268 -10.9108 763468.6278 -5.1033 -5.1126 PRESSURE: 2945600 389.144 -75.959 95.0178 -75.959 -335.556 -2.43844 95.018 -2.43938 190.398 GPRESSURE: 2945600 330.932 22.9547 49.2842 33.9709 -238.314 108.247 197.092 -6.70029 231.443 PRESSAVG: 2945600 22.496 -1.36022 4.79125 -1.36026 15.3599 -8.19841 4.79129 -8.1984 7.11216 GPRESSAVG: 2945600 21.182 0.228777 5.54733 1.02689 15.7203 -11.9203 6.868 -6.57995 7.89458 TIMING: 2945600 CPU: 9309.6, 0.00314779/step Wall: 9309.6, 0.00314779/step, 1.79634 hours remaining, 238.671875 MB of memory in use. ENERGY: 2945600 3960.6577 20385.6073 14339.7464 245.6348 -203420.6641 2696.2384 0.0000 0.0000 51562.9173 -110229.8622 296.3328 -161792.7795 -109873.2730 297.3482 81.3284 108.0204 762588.5935 14.9893 14.9323 PRESSURE: 2945800 -241.528 96.9276 -229.015 96.9271 -428.366 2.24882 -229.015 2.24834 -134.819 GPRESSURE: 2945800 -184.692 -14.9975 -250.724 130.437 -372.514 40.2107 -237.881 -21.4457 -181.931 PRESSAVG: 2945800 37.7634 54.4176 54.1894 54.4176 -31.5377 -8.0564 54.1894 -8.05634 -12.2518 GPRESSAVG: 2945800 38.2023 51.3669 52.3753 51.3002 -32.2065 -7.28162 54.2585 -9.23688 -12.1864 TIMING: 2945800 CPU: 9310.23, 0.00313909/step Wall: 9310.23, 0.00313909/step, 1.7912 hours remaining, 238.671875 MB of memory in use. ENERGY: 2945800 4042.6733 20377.5288 14413.9761 223.9066 -203476.4409 2411.4989 0.0000 0.0000 51935.9131 -110070.9442 298.4764 -162006.8573 -109691.8811 297.7243 -268.2374 -246.3792 762114.7131 -2.0087 -2.0635 PRESSURE: 2946000 492.244 -271.828 102.72 -271.828 -124.056 25.1319 102.721 25.1319 577.679 GPRESSURE: 2946000 523.234 -169.419 83.9204 -176.348 -60.3466 24.6671 11.823 38.8047 575.33 PRESSAVG: 2946000 15.1095 -33.2145 22.2585 -33.2145 -49.674 6.30017 22.2586 6.30017 0.892543 GPRESSAVG: 2946000 16.2219 -32.2025 24.913 -32.4355 -50.0381 8.61465 18.8666 6.36714 0.312136 TIMING: 2946000 CPU: 9310.85, 0.00312998/step Wall: 9310.85, 0.00312998/step, 1.78582 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2946000 3919.5651 20480.6884 14403.0054 229.1355 -203738.9279 2668.2720 0.0000 0.0000 52060.0085 -109978.2531 299.1896 -162038.2615 -109621.6072 297.9368 315.2887 346.0726 762423.7511 -11.2240 -11.1680 PRESSURE: 2946200 150.052 -96.7543 61.6022 -96.7544 -199.626 -139.631 61.6016 -139.63 152.24 GPRESSURE: 2946200 119.15 -205.096 -22.6181 -181.538 1.24565 -139.817 125.531 -66.0332 104.29 PRESSAVG: 2946200 -6.18771 -39.5194 -0.974293 -39.5194 -2.08067 31.8801 -0.974322 31.8802 8.91884 GPRESSAVG: 2946200 -5.89738 -37.8837 -1.40651 -39.6741 -2.23263 30.5226 0.337514 33.2708 8.97725 TIMING: 2946200 CPU: 9311.48, 0.00313163/step Wall: 9311.48, 0.00313163/step, 1.7866 hours remaining, 238.671875 MB of memory in use. ENERGY: 2946200 4031.0004 20541.6340 14438.5904 238.5674 -203810.9393 2846.6401 0.0000 0.0000 51847.4888 -109867.0183 297.9682 -161714.5070 -109513.1914 298.2690 34.2220 74.8953 761761.9580 0.2168 0.2824 PRESSURE: 2946400 -185.595 51.925 -127.589 51.926 -541.716 85.2222 -127.59 85.2223 -89.663 GPRESSURE: 2946400 -70.9411 75.3586 -166.209 124.083 -548.639 142.164 1.60202 172.966 -124.208 PRESSAVG: 2946400 -9.21388 10.3034 4.79302 10.3034 65.9655 11.7984 4.79306 11.7984 -1.66116 GPRESSAVG: 2946400 -9.41316 9.50207 3.39207 12.149 66.5776 12.2775 5.8361 11.2423 -1.90559 TIMING: 2946400 CPU: 9312.11, 0.00314337/step Wall: 9312.11, 0.00314337/step, 1.79312 hours remaining, 238.671875 MB of memory in use. ENERGY: 2946400 3973.4535 20368.1441 14424.6603 255.4731 -203208.9254 2397.3228 0.0000 0.0000 52119.6301 -109670.2415 299.5322 -161789.8716 -109310.3830 298.6504 -272.3249 -247.9292 763483.2486 18.3635 18.4196 PRESSURE: 2946600 204.639 -27.533 3.0975 -27.5339 -0.59152 -111.127 3.0974 -111.126 -195.427 GPRESSURE: 2946600 160.693 -55.4423 62.855 47.3605 57.9422 -62.3599 2.68904 -98.6307 -134.028 PRESSAVG: 2946600 -40.1703 -18.4656 15.8934 -18.4657 14.3312 16.3362 15.8934 16.3363 -14.2553 GPRESSAVG: 2946600 -41.754 -18.6402 17.235 -19.9626 14.6568 16.8527 14.7674 15.9965 -13.5777 TIMING: 2946600 CPU: 9312.74, 0.00318008/step Wall: 9312.74, 0.00318008/step, 1.81389 hours remaining, 238.671875 MB of memory in use. ENERGY: 2946600 3935.4996 20560.5034 14348.2387 247.1138 -203539.8219 2573.6496 0.0000 0.0000 52118.1577 -109756.6591 299.5238 -161874.8168 -109392.6791 298.4532 2.8732 28.2024 762358.7203 -13.3648 -13.5583 PRESSURE: 2946800 -314.464 -235.051 52.6805 -235.05 -85.0726 -14.9649 52.6802 -14.9652 -420.491 GPRESSURE: 2946800 -287.596 -142.562 35.9409 -187.857 -18.5183 -95.6931 182.801 -17.6727 -404.992 PRESSAVG: 2946800 -10.5627 -49.2068 -16.3797 -49.2068 0.874638 39.6811 -16.3797 39.6811 -4.64469 GPRESSAVG: 2946800 -11.212 -49.0423 -16.06 -48.5845 0.66306 38.3566 -16.2067 39.9605 -3.80062 TIMING: 2946800 CPU: 9313.37, 0.00313472/step Wall: 9313.37, 0.00313472/step, 1.78784 hours remaining, 238.671875 MB of memory in use. ENERGY: 2946800 4025.6344 20598.1229 14461.4177 231.1106 -203585.4488 2536.2143 0.0000 0.0000 52050.9358 -109682.0130 299.1374 -161732.9488 -109332.2479 298.3616 -273.3424 -237.0352 762328.9082 -4.7776 -4.7832 PRESSURE: 2947000 -367.846 -207.892 1.35139 -207.891 -273.949 61.2138 1.3518 61.2152 -314.801 GPRESSURE: 2947000 -283.578 -287.133 28.3423 -306.918 -351.763 85.4668 -37.5643 53.0481 -243.079 PRESSAVG: 2947000 0.780052 -20.3349 28.9885 -20.3349 -20.7022 -7.24137 28.9886 -7.24142 30.4009 GPRESSAVG: 2947000 1.96767 -20.8233 27.7087 -20.8802 -20.3777 -7.00749 29.7793 -7.5514 29.0467 TIMING: 2947000 CPU: 9313.99, 0.00312316/step Wall: 9313.99, 0.00312317/step, 1.78107 hours remaining, 238.671875 MB of memory in use. ENERGY: 2947000 4024.3378 20489.4397 14368.4863 260.1718 -203590.2563 2573.0245 0.0000 0.0000 52067.2552 -109807.5411 299.2312 -161874.7963 -109437.1304 298.1497 -318.8653 -292.8070 761273.5335 3.4929 3.5456 PRESSURE: 2947200 36.9264 111.746 104.745 111.745 -51.3903 127.483 104.744 127.484 155.861 GPRESSURE: 2947200 105.007 110.226 100.906 10.2031 9.61289 108.278 -6.24823 75.6296 105.752 PRESSAVG: 2947200 -16.4285 -58.9206 24.849 -58.9206 -25.6741 -26.7075 24.849 -26.7075 -5.10812 GPRESSAVG: 2947200 -16.4231 -58.4775 25.4224 -57.1926 -26.4168 -25.5685 22.4503 -26.3051 -4.70538 TIMING: 2947200 CPU: 9314.62, 0.00313028/step Wall: 9314.62, 0.00313028/step, 1.78495 hours remaining, 238.671875 MB of memory in use. ENERGY: 2947200 3987.3533 20562.8344 14386.7425 249.7486 -203487.5524 2666.8842 0.0000 0.0000 51844.0058 -109789.9837 297.9482 -161633.9895 -109439.4720 298.6327 47.1322 73.4572 762067.5667 -15.7369 -15.8484 PRESSURE: 2947400 393.069 -35.2437 9.79806 -35.2443 377.802 4.70773 9.79789 4.7074 434.395 GPRESSURE: 2947400 466.067 6.37301 114.087 -66.7381 360.362 4.38458 104.48 -123.581 490.571 PRESSAVG: 2947400 -18.357 -24.4538 31.3321 -24.4537 8.75202 -9.60714 31.3321 -9.60718 37.8374 GPRESSAVG: 2947400 -18.648 -23.7373 31.076 -26.5185 9.01819 -8.54874 35.0593 -10.3195 38.2 TIMING: 2947400 CPU: 9315.25, 0.00314317/step Wall: 9315.25, 0.00314317/step, 1.79213 hours remaining, 238.671875 MB of memory in use. ENERGY: 2947400 3954.8861 20623.6272 14413.4780 222.9518 -204041.6484 2939.6351 0.0000 0.0000 52125.7382 -109761.3321 299.5673 -161887.0702 -109389.7875 298.9524 401.7552 439.0000 759738.1103 9.4108 9.5234 PRESSURE: 2947600 -120.916 59.1805 -101.652 59.1812 -315.429 -113.217 -101.653 -113.216 -195.398 GPRESSURE: 2947600 -168.218 63.821 -147.37 43.6772 -203.487 -142.481 52.4848 43.783 -188.328 PRESSAVG: 2947600 5.0477 12.5018 21.9836 12.5017 -9.46459 -55.8502 21.9836 -55.8502 9.37834 GPRESSAVG: 2947600 4.22083 11.1016 22.2762 13.9573 -10.0767 -57.9871 21.3739 -56.4472 10.6701 TIMING: 2947600 CPU: 9315.88, 0.00314088/step Wall: 9315.88, 0.00314088/step, 1.79065 hours remaining, 238.671875 MB of memory in use. ENERGY: 2947600 3966.6014 20701.7790 14391.9250 223.1315 -203091.9635 2169.6161 0.0000 0.0000 51942.6663 -109696.2442 298.5152 -161638.9106 -109332.6196 298.4663 -210.5811 -186.6776 762229.5484 1.6538 1.6047 PRESSURE: 2947800 75.2178 -184.332 -183.72 -184.333 -116.961 -295.365 -183.72 -295.364 -232.573 GPRESSURE: 2947800 93.5862 -26.6848 -226.726 -258.916 -69.9742 -220.112 -157.847 -174.553 -189.348 PRESSAVG: 2947800 3.9123 -20.6441 13.657 -20.6441 17.1846 -53.0985 13.6569 -53.0985 11.8911 GPRESSAVG: 2947800 4.91821 -18.9151 14.261 -20.6299 18.1577 -52.4887 11.0955 -50.8426 9.51344 TIMING: 2947800 CPU: 9316.5, 0.00313355/step Wall: 9316.5, 0.00313355/step, 1.7863 hours remaining, 238.671875 MB of memory in use. ENERGY: 2947800 4000.7408 20609.9927 14373.2496 217.3567 -203535.3990 2591.6947 0.0000 0.0000 52047.4865 -109694.8780 299.1176 -161742.3645 -109324.3535 299.2716 -91.4387 -55.2454 761215.5359 10.9960 10.8631 PRESSURE: 2948000 165.366 134.513 63.4755 134.514 426.02 -47.0814 63.4756 -47.0817 -241.614 GPRESSURE: 2948000 218.487 -90.2303 113.405 120.97 432.091 -25.9195 119.75 -107.692 -201.384 PRESSAVG: 2948000 17.2581 -5.88625 34.404 -5.88634 5.25102 10.3037 34.4039 10.3038 -5.91396 GPRESSAVG: 2948000 16.5088 -6.84621 33.0576 -7.04366 4.48976 8.05817 37.2538 11.5889 -4.66214 TIMING: 2948000 CPU: 9317.13, 0.00312926/step Wall: 9317.13, 0.00312926/step, 1.78368 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2948000 3982.2781 20690.4767 14365.2231 241.1733 -203595.5222 2536.3923 0.0000 0.0000 52149.3797 -109630.5989 299.7032 -161779.9787 -109275.3520 299.2245 116.5908 149.7313 760881.2257 5.5317 5.4455 PRESSURE: 2948200 -343.664 -59.3435 84.9196 -59.3438 -373.125 -15.9291 84.9186 -15.9293 132.166 GPRESSURE: 2948200 -296.532 -165.791 133.98 -152.815 -299.219 -34.9098 20.0119 74.1559 100.068 PRESSAVG: 2948200 -34.7679 23.8928 10.9644 23.8928 11.5345 -20.193 10.9644 -20.1931 4.3003 GPRESSAVG: 2948200 -35.1144 23.3145 11.8175 25.2175 12.9237 -18.2763 8.85541 -22.4672 3.17241 TIMING: 2948200 CPU: 9317.75, 0.00312504/step Wall: 9317.75, 0.00312504/step, 1.7811 hours remaining, 238.671875 MB of memory in use. ENERGY: 2948200 3978.4077 20644.8948 14423.9457 228.5449 -203148.1791 2496.9152 0.0000 0.0000 51850.4827 -109524.9881 297.9854 -161375.4707 -109169.5137 298.9662 -194.8745 -165.2275 761904.5463 -6.3110 -6.3394 LDB: ============= START OF LOAD BALANCING ============== 9330.15 LDB: ============== END OF LOAD BALANCING =============== 9330.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9330.15 LDB: ============= START OF LOAD BALANCING ============== 9330.47 LDB: Largest compute 7068 load 0.032382 is 16.5% of average load 0.196056 LDB: Average compute 0.004380 is 2.2% of average load 0.196056 LDB: TIME 9330.47 LOAD: AVG 0.196056 MAX 0.215243 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.262 MB LDB: TIME 9330.47 LOAD: AVG 0.196056 MAX 0.215243 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.332 MB LDB: TIME 9330.47 LOAD: AVG 0.196056 MAX 0.215243 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.332 MB LDB: ============== END OF LOAD BALANCING =============== 9330.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9330.48 PRESSURE: 2948400 -138.846 -108.712 60.8956 -108.713 -286.249 -168.438 60.8964 -168.438 14.6316 GPRESSURE: 2948400 -183.255 -141.763 144.194 -82.7213 -196.115 -135.022 -173.349 -138.163 50.2527 PRESSAVG: 2948400 -20.4418 -64.7915 -44.8135 -64.7915 20.742 5.17746 -44.8136 5.17744 -30.8702 GPRESSAVG: 2948400 -18.4755 -65.3657 -44.7156 -66.3783 18.5189 7.51863 -44.7084 3.5772 -30.7134 TIMING: 2948400 CPU: 9318.4, 0.00320899/step Wall: 9318.4, 0.00320899/step, 1.82877 hours remaining, 239.695312 MB of memory in use. ENERGY: 2948400 4060.2668 20704.8416 14438.8375 251.7921 -203175.7330 2462.2213 0.0000 0.0000 51640.1108 -109617.6628 296.7764 -161257.7737 -109261.2315 299.1626 -136.8209 -109.7057 762002.6560 -10.1900 -10.2233 PRESSURE: 2948600 198.855 95.7453 -297.943 95.7441 -216.543 -33.9869 -297.943 -33.9878 99.1034 GPRESSURE: 2948600 221.925 83.3755 -300.175 72.2151 -138.358 4.64516 -285.997 -26.2535 85.2809 PRESSAVG: 2948600 19.0712 6.56972 -18.4891 6.56971 9.70997 -10.1309 -18.4891 -10.131 -2.96396 GPRESSAVG: 2948600 18.0174 9.26657 -16.9228 6.07595 10.2546 -10.499 -17.9406 -9.07568 -2.79924 TIMING: 2948600 CPU: 9319.02, 0.00313318/step Wall: 9319.02, 0.00313318/step, 1.78539 hours remaining, 239.695312 MB of memory in use. ENERGY: 2948600 4012.6578 20635.8999 14441.6495 268.1623 -203609.2540 2593.8544 0.0000 0.0000 52056.7418 -109600.2884 299.1708 -161657.0301 -109243.6829 299.3822 27.1386 56.2826 762176.0805 8.6058 8.4909 PRESSURE: 2948800 107.459 -58.7544 357.371 -58.7537 189.478 107.674 357.37 107.675 478.788 GPRESSURE: 2948800 187.245 -72.217 326.112 -79.9768 230.519 141.906 358.326 50.1921 453.771 PRESSAVG: 2948800 -43.2716 -41.8102 -49.609 -41.8101 43.4654 -0.518482 -49.609 -0.51844 0.603798 GPRESSAVG: 2948800 -44.2036 -43.7902 -51.1024 -39.4466 44.5584 -2.53653 -48.7047 1.22067 0.576333 TIMING: 2948800 CPU: 9319.65, 0.00314457/step Wall: 9319.65, 0.00314457/step, 1.7917 hours remaining, 239.695312 MB of memory in use. ENERGY: 2948800 3949.4223 20553.9255 14430.6735 244.8387 -203645.2440 2622.0131 0.0000 0.0000 52098.8764 -109745.4945 299.4130 -161844.3709 -109382.9323 298.6215 258.5749 290.5115 762286.4808 0.2658 0.3104 PRESSURE: 2949000 -324.734 -76.7788 34.6851 -76.7792 -581.998 217.745 34.6849 217.745 -123.984 GPRESSURE: 2949000 -257.519 -108.2 44.8539 -75.0836 -539.335 172.702 131.775 152.434 -166.978 PRESSAVG: 2949000 -51.8583 -8.5691 7.00672 -8.56911 7.2339 -24.1115 7.0067 -24.1115 -4.97623 GPRESSAVG: 2949000 -49.6328 -7.21267 7.28939 -10.4121 6.15145 -23.6957 8.21809 -26.3232 -5.84184 TIMING: 2949000 CPU: 9320.28, 0.00313154/step Wall: 9320.28, 0.00313154/step, 1.78411 hours remaining, 239.695312 MB of memory in use. ENERGY: 2949000 3966.2456 20505.6504 14473.4136 229.7872 -203358.9231 2363.9314 0.0000 0.0000 51841.9120 -109977.9829 297.9362 -161819.8949 -109627.1438 298.0385 -343.5719 -321.2773 763962.5593 -16.5335 -16.4411 PRESSURE: 2949200 -94.4844 116.535 -84.4042 116.535 22.601 -132.399 -84.4047 -132.399 -67.254 GPRESSURE: 2949200 -60.6838 80.0016 -23.1505 46.3667 49.5287 -0.743446 -5.79147 -273.846 -46.3972 PRESSAVG: 2949200 4.80322 -15.7138 65.1498 -15.7138 26.3069 58.5764 65.1497 58.5764 -20.3305 GPRESSAVG: 2949200 3.63906 -15.8407 64.3981 -17.8393 26.5907 59.4371 63.315 60.6327 -19.5076 TIMING: 2949200 CPU: 9320.91, 0.00313808/step Wall: 9320.91, 0.00313808/step, 1.78766 hours remaining, 239.695312 MB of memory in use. ENERGY: 2949200 3975.2542 20601.8931 14382.5967 251.3455 -203622.9094 2503.9508 0.0000 0.0000 51895.2193 -110012.6499 298.2425 -161907.8692 -109653.7863 298.1796 -46.3791 -19.1841 762007.1193 3.5932 3.5741 PRESSURE: 2949400 208.599 24.2828 67.9738 24.2827 242.908 -76.4343 67.9737 -76.4331 -17.8223 GPRESSURE: 2949400 288.03 -168.386 90.4712 42.3986 255.403 -56.1112 -74.2563 50.1101 -22.5546 PRESSAVG: 2949400 -64.7247 -17.1452 8.66164 -17.1453 95.9108 11.897 8.66154 11.897 -14.8974 GPRESSAVG: 2949400 -62.7658 -17.9199 8.50496 -15.384 94.9061 11.1627 8.8828 13.2554 -15.4136 TIMING: 2949400 CPU: 9321.53, 0.00313505/step Wall: 9321.53, 0.00313505/step, 1.78576 hours remaining, 239.695312 MB of memory in use. ENERGY: 2949400 4049.2038 20354.6579 14449.0093 270.1365 -203535.2028 2693.6280 0.0000 0.0000 51824.2420 -109894.3254 297.8346 -161718.5674 -109546.2320 297.9862 144.5616 173.6261 760720.5142 5.4296 5.5756 PRESSURE: 2949600 211.25 -6.66643 -127.718 -6.66561 143.073 284.961 -127.718 284.96 -65.741 GPRESSURE: 2949600 203.211 15.1367 -41.5379 -59.0474 175.74 238.916 -70.4522 151.075 -16.1831 PRESSAVG: 2949600 56.1625 -48.5361 -16.8918 -48.5361 -35.3577 36.0399 -16.8919 36.0398 13.8811 GPRESSAVG: 2949600 53.1224 -48.8456 -16.7766 -47.7206 -34.185 34.6078 -16.8645 32.8903 14.7918 TIMING: 2949600 CPU: 9322.16, 0.00314703/step Wall: 9322.16, 0.00314703/step, 1.79241 hours remaining, 239.695312 MB of memory in use. ENERGY: 2949600 3929.2272 20631.2374 14390.1622 243.4902 -203965.4696 2790.6997 0.0000 0.0000 52002.8805 -109977.7723 298.8613 -161980.6528 -109611.8501 298.4332 96.1941 120.9226 761213.9542 11.5620 11.2431 PRESSURE: 2949800 -49.4263 75.7691 121.253 75.7694 147.976 -134.59 121.252 -134.589 -87.28 GPRESSURE: 2949800 5.50683 166.776 93.6575 43.2175 142.914 -101.488 119.024 -107.371 -52.2685 PRESSAVG: 2949800 29.9764 -10.6171 32.3879 -10.6172 -10.927 8.92767 32.3879 8.92769 3.7291 GPRESSAVG: 2949800 30.4848 -10.8201 33.4651 -10.8439 -11.2451 7.74438 31.0827 10.1317 3.53956 TIMING: 2949800 CPU: 9322.79, 0.00313779/step Wall: 9322.79, 0.00313779/step, 1.78697 hours remaining, 239.695312 MB of memory in use. ENERGY: 2949800 3934.4131 20447.0055 14383.5011 253.2885 -203453.7956 2567.2706 0.0000 0.0000 51764.8781 -110103.4386 297.4935 -161868.3168 -109741.5417 298.4750 3.7565 32.0509 761129.0163 7.5928 7.5931 PRESSURE: 2950000 -73.8189 -53.5205 14.6521 -53.5206 130.428 -76.3968 14.6523 -76.398 -169.348 GPRESSURE: 2950000 -4.62652 -13.0906 -81.9907 19.0908 82.6738 -57.6586 49.1064 -151.437 -104.198 PRESSAVG: 2950000 -41.7284 -59.0198 -2.62363 -59.0198 52.0525 19.5979 -2.62362 19.5979 -1.93689 GPRESSAVG: 2950000 -40.939 -56.7396 -1.56036 -58.3445 52.1381 20.3902 -1.58799 17.3631 -2.95568 TIMING: 2950000 CPU: 9323.42, 0.00313476/step Wall: 9323.42, 0.00313476/step, 1.78507 hours remaining, 239.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2950000 3922.6331 20427.2951 14428.6068 259.0528 -203816.8088 2622.1531 0.0000 0.0000 51960.6264 -110196.4414 298.6184 -162157.0679 -109836.5292 297.6170 -37.5796 -8.7169 760531.0046 2.7957 2.7478 PRESSURE: 2950200 302.997 -108.209 95.7583 -108.209 192.226 -102.011 95.7583 -102.011 224.79 GPRESSURE: 2950200 321.6 -144.254 40.0603 -114.421 208.035 -43.6805 71.1122 37.6012 269.648 PRESSAVG: 2950200 54.1289 -5.86118 12.3368 -5.86115 -33.9758 23.9293 12.3369 23.9293 -11.8612 GPRESSAVG: 2950200 52.5741 -7.94 9.78622 -7.43201 -33.3472 25.1034 12.5245 27.725 -10.9312 TIMING: 2950200 CPU: 9324.04, 0.00313065/step Wall: 9324.04, 0.00313065/step, 1.78256 hours remaining, 239.695312 MB of memory in use. ENERGY: 2950200 3951.1182 20475.6825 14444.8554 256.4289 -203663.0253 2842.2290 0.0000 0.0000 51593.2438 -110099.4675 296.5071 -161692.7113 -109738.6293 297.4403 240.0047 266.4276 759280.0005 2.7640 2.7652 PRESSURE: 2950400 -385.122 86.5266 45.0234 86.5264 -269.682 -76.0028 45.0235 -76.0033 -202.283 GPRESSURE: 2950400 -321.731 76.3355 56.5754 160.649 -263.746 -93.1289 33.7996 -15.6009 -194.898 PRESSAVG: 2950400 18.8536 -6.23844 21.2222 -6.23842 0.115757 28.6938 21.2222 28.6938 9.79225 GPRESSAVG: 2950400 19.653 -7.24015 23.6958 -3.81923 -0.927442 30.7572 19.7618 26.0761 9.98065 TIMING: 2950400 CPU: 9324.67, 0.0031552/step Wall: 9324.67, 0.0031552/step, 1.79636 hours remaining, 239.695312 MB of memory in use. ENERGY: 2950400 4053.9474 20499.4685 14393.1102 261.4036 -203631.1611 2606.9671 0.0000 0.0000 51822.8368 -109993.4275 297.8266 -161816.2643 -109633.8263 297.9887 -285.6957 -260.1252 762069.7494 9.5872 9.5688 PRESSURE: 2950600 -75.308 159.231 209.37 159.231 -300.296 3.35315 209.371 3.35305 140.802 GPRESSURE: 2950600 -102.627 97.6282 232.034 146.285 -175.861 -19.1545 143.007 18.5748 116.949 PRESSAVG: 2950600 -13.8691 29.6768 35.8039 29.6767 -34.9252 30.9678 35.8039 30.9678 0.947811 GPRESSAVG: 2950600 -13.3371 31.7568 34.6971 26.2972 -34.3891 29.469 36.6183 32.1671 -0.512759 TIMING: 2950600 CPU: 9325.31, 0.00316064/step Wall: 9325.31, 0.00316064/step, 1.79928 hours remaining, 239.695312 MB of memory in use. ENERGY: 2950600 3948.3714 20608.6502 14378.9203 249.9107 -203295.2100 2360.9109 0.0000 0.0000 51822.3529 -109926.0935 297.8238 -161748.4465 -109567.4853 298.2632 -78.2672 -53.8466 761075.0459 -15.9488 -16.0797 PRESSURE: 2950800 100.711 35.6515 -117.829 35.6505 -48.6663 91.3819 -117.829 91.3815 -397.468 GPRESSURE: 2950800 158.379 17.0783 -156.457 64.9272 -79.0646 81.7654 -197.442 73.8188 -349.446 PRESSAVG: 2950800 35.867 47.4318 55.4366 47.4317 -77.1662 -17.5854 55.4367 -17.5853 -12.7178 GPRESSAVG: 2950800 35.4891 46.1989 54.8379 48.7558 -76.6885 -17.9654 57.1839 -18.2329 -13.0671 TIMING: 2950800 CPU: 9325.94, 0.00316854/step Wall: 9325.94, 0.00316854/step, 1.8036 hours remaining, 239.695312 MB of memory in use. ENERGY: 2950800 3944.1735 20623.4466 14403.0811 230.2798 -203561.4474 2519.0758 0.0000 0.0000 51955.0533 -109886.3373 298.5864 -161841.3906 -109537.7593 298.8185 -115.1410 -90.0438 759081.5438 -18.0057 -18.0888 PRESSURE: 2951000 -437.811 -11.3279 -125.904 -11.328 -37.2589 73.109 -125.903 73.1093 -158.85 GPRESSURE: 2951000 -461.197 -105.47 -35.5034 131.342 1.71802 66.6261 -122.494 -56.5122 -102.91 PRESSAVG: 2951000 -6.22368 -5.62251 -0.621295 -5.62251 44.1802 50.9838 -0.621321 50.9838 -24.3356 GPRESSAVG: 2951000 -7.02171 -4.90144 2.00961 -4.1521 44.0682 51.3078 -2.04263 51.8801 -23.5568 TIMING: 2951000 CPU: 9326.57, 0.0031668/step Wall: 9326.57, 0.0031668/step, 1.80243 hours remaining, 239.695312 MB of memory in use. ENERGY: 2951000 4035.2493 20509.9010 14473.7417 247.0349 -203111.2386 2179.6054 0.0000 0.0000 51819.5380 -109846.1684 297.8076 -161665.7064 -109477.0182 298.6150 -211.3067 -187.4631 760650.7363 4.5403 4.4966 PRESSURE: 2951200 92.1655 120.869 152.76 120.869 235.954 -195.348 152.76 -195.347 -17.9557 GPRESSURE: 2951200 11.2818 185.587 -21.8286 33.2109 243.121 -212.404 56.8541 -123.997 117.122 PRESSAVG: 2951200 -38.1332 -6.9055 -40.0726 -6.90549 13.2964 19.998 -40.0726 19.998 2.65671 GPRESSAVG: 2951200 -38.4353 -8.17604 -40.5966 -7.88708 13.2086 20.4551 -39.5544 19.0571 2.83993 TIMING: 2951200 CPU: 9327.2, 0.00312707/step Wall: 9327.2, 0.00312707/step, 1.77965 hours remaining, 239.695312 MB of memory in use. ENERGY: 2951200 3881.6295 20691.3723 14522.1806 242.0464 -203033.9650 2372.1733 0.0000 0.0000 51779.9292 -109544.6338 297.5800 -161324.5630 -109191.6862 299.2172 103.3879 123.8415 761142.5536 -7.3934 -7.4622 PRESSURE: 2951400 90.3665 26.3653 130.265 26.365 -65.1575 0.71972 130.265 0.719664 -120.481 GPRESSURE: 2951400 46.6682 7.15763 194.031 14.2568 12.7065 0.404792 189.775 29.1116 -70.6268 PRESSAVG: 2951400 42.0483 -4.2034 11.9692 -4.20336 -25.5232 43.5273 11.9692 43.5272 12.5953 GPRESSAVG: 2951400 42.8833 -4.42733 11.7929 -3.64519 -27.2486 42.898 11.7808 45.1019 13.1168 TIMING: 2951400 CPU: 9327.83, 0.00313448/step Wall: 9327.83, 0.00313448/step, 1.78369 hours remaining, 239.695312 MB of memory in use. ENERGY: 2951400 3877.8475 20607.6840 14336.3878 264.1971 -203138.8290 2381.5860 0.0000 0.0000 52271.7025 -109399.4240 300.4062 -161671.1265 -109033.3335 300.0238 -31.7574 -3.7507 760683.8689 9.7068 9.5838 PRESSURE: 2951600 -64.7074 6.96701 -41.3112 6.96635 89.0277 -12.1585 -41.3112 -12.1584 -124.297 GPRESSURE: 2951600 57.1116 -143.054 -74.193 47.9254 54.62 -1.83614 27.2895 -56.6794 -109.714 PRESSAVG: 2951600 34.4766 3.99899 -3.58632 3.99895 -20.7198 -4.13351 -3.58637 -4.13353 0.966813 GPRESSAVG: 2951600 34.9139 4.93656 -4.28954 3.67536 -19.9396 -4.7573 -2.7708 -4.64577 -0.493724 TIMING: 2951600 CPU: 9328.45, 0.00312962/step Wall: 9328.45, 0.00312962/step, 1.78075 hours remaining, 239.695312 MB of memory in use. ENERGY: 2951600 3965.3065 20439.8573 14394.0537 253.8760 -203646.2336 2891.2356 0.0000 0.0000 52315.2703 -109386.6342 300.6566 -161701.9045 -109012.4908 299.5541 -33.3256 0.6726 760135.8995 4.9079 4.8268 PRESSURE: 2951800 -32.5303 154.112 197.811 154.112 70.9981 67.8924 197.811 67.8926 -379.774 GPRESSURE: 2951800 -46.2293 -31.3888 241.542 186.267 136.132 83.8783 57.212 -21.8688 -349.167 PRESSAVG: 2951800 -59.5341 -0.184118 -36.3287 -0.184109 24.6987 -19.5141 -36.3287 -19.5141 -13.9381 GPRESSAVG: 2951800 -58.9732 -1.69637 -36.5631 -1.24694 24.6755 -19.6793 -37.7299 -19.8417 -13.2615 TIMING: 2951800 CPU: 9329.08, 0.0031291/step Wall: 9329.08, 0.0031291/step, 1.78028 hours remaining, 239.695312 MB of memory in use. ENERGY: 2951800 3952.1097 20341.6932 14361.1978 230.4492 -202714.8809 2260.9360 0.0000 0.0000 52091.0321 -109477.4629 299.3679 -161568.4950 -109114.5559 299.1615 -113.7686 -86.4214 761459.3163 -16.2578 -15.8531 PRESSURE: 2952000 -3.10293 -40.5683 45.6452 -40.5689 -246.957 -36.1603 45.6455 -36.1604 51.8916 GPRESSURE: 2952000 0.204198 -7.18246 -14.1694 -129.295 -186.109 -56.914 25.7019 -25.2877 64.7541 PRESSAVG: 2952000 -44.8201 18.6609 -27.9277 18.661 7.20251 -25.0916 -27.9276 -25.0916 2.7533 GPRESSAVG: 2952000 -46.2523 19.745 -28.0514 18.5614 7.33983 -24.4662 -27.5719 -25.9636 3.35832 TIMING: 2952000 CPU: 9329.7, 0.00312341/step Wall: 9329.7, 0.00312341/step, 1.77687 hours remaining, 239.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2952000 4002.3911 20424.5542 14348.4088 240.7597 -203468.3520 2628.9262 0.0000 0.0000 52282.6197 -109540.6922 300.4689 -161823.3119 -109169.1269 299.5114 -66.0562 -40.3835 761016.1028 -11.6214 -11.8514 PRESSURE: 2952200 97.381 37.9181 -73.1944 37.918 -55.9253 -14.7288 -73.1939 -14.7284 -312.689 GPRESSURE: 2952200 101.775 31.8677 -175.082 2.18725 10.7904 9.6617 44.9884 -94.3807 -268.143 PRESSAVG: 2952200 -16.0308 -46.6158 -6.8709 -46.6158 1.50766 -33.8504 -6.87088 -33.8504 10.5203 GPRESSAVG: 2952200 -14.4915 -46.0864 -6.41422 -45.5854 1.34411 -35.6934 -6.31977 -31.22 9.58788 TIMING: 2952200 CPU: 9330.33, 0.00313037/step Wall: 9330.33, 0.00313037/step, 1.78066 hours remaining, 239.695312 MB of memory in use. ENERGY: 2952200 3917.3518 20386.8640 14434.8161 237.7432 -203372.6435 2702.1962 0.0000 0.0000 52157.9330 -109535.7392 299.7524 -161693.6721 -109172.1775 299.4866 -90.4112 -51.8594 759038.7394 -1.3343 -1.1865 LDB: ============= START OF LOAD BALANCING ============== 9342.72 LDB: ============== END OF LOAD BALANCING =============== 9342.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9342.73 LDB: ============= START OF LOAD BALANCING ============== 9343.04 LDB: Largest compute 7058 load 0.030705 is 15.7% of average load 0.196125 LDB: Average compute 0.004367 is 2.2% of average load 0.196125 LDB: TIME 9343.04 LOAD: AVG 0.196125 MAX 0.216467 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 9343.04 LOAD: AVG 0.196125 MAX 0.216467 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: TIME 9343.04 LOAD: AVG 0.196125 MAX 0.216467 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: ============== END OF LOAD BALANCING =============== 9343.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9343.05 PRESSURE: 2952400 -114.787 118.992 25.1267 118.992 -12.8405 3.68839 25.1274 3.68852 41.7223 GPRESSURE: 2952400 -21.5141 164.912 24.387 88.7726 -45.6537 60.1903 -30.7006 -57.4839 63.4698 PRESSAVG: 2952400 3.47408 -0.108918 3.71449 -0.108879 10.3308 -49.724 3.71443 -49.7239 -11.4916 GPRESSAVG: 2952400 2.05381 0.194353 4.43516 -0.905516 11.8224 -48.6471 5.13975 -52.8976 -11.4782 TIMING: 2952400 CPU: 9330.97, 0.00320182/step Wall: 9330.97, 0.00320182/step, 1.82112 hours remaining, 237.128906 MB of memory in use. ENERGY: 2952400 3969.3702 20517.6543 14380.0338 234.8091 -203374.3302 2623.5791 0.0000 0.0000 52087.1303 -109561.7534 299.3455 -161648.8837 -109196.9617 298.9399 -28.6351 -1.2327 761196.3176 0.7711 0.7994 PRESSURE: 2952600 -52.6173 -202.422 -121.378 -202.421 116.705 162.136 -121.378 162.137 105.043 GPRESSURE: 2952600 -29.8393 -209.203 -44.1647 -213.931 125.38 132.437 -31.6349 220.224 168.631 PRESSAVG: 2952600 1.15405 -34.5473 -38.7799 -34.5473 -23.1074 7.14684 -38.78 7.14693 -15.8971 GPRESSAVG: 2952600 1.52081 -33.7468 -38.6613 -35.1645 -25.2623 7.29416 -41.7235 8.79376 -14.2364 TIMING: 2952600 CPU: 9331.59, 0.00312452/step Wall: 9331.59, 0.00312452/step, 1.77698 hours remaining, 237.332031 MB of memory in use. ENERGY: 2952600 3921.7594 20462.1169 14538.5952 259.3784 -203219.6021 2406.2252 0.0000 0.0000 51901.2673 -109730.2597 298.2773 -161631.5270 -109365.0301 298.6733 56.3769 88.0571 759061.7437 -12.6168 -12.6593 PRESSURE: 2952800 316.72 -45.559 9.72558 -45.5588 137.079 -8.77109 9.72631 -8.77028 71.1252 GPRESSURE: 2952800 200.904 -109.779 51.4702 102.958 343.287 -34.5469 21.487 159.615 75.8557 PRESSAVG: 2952800 3.80983 -23.2328 -17.0488 -23.2328 27.1171 38.8666 -17.0488 38.8666 -29.3276 GPRESSAVG: 2952800 4.22557 -24.2347 -17.9853 -22.1214 27.6255 39.2735 -16.0288 38.213 -29.8061 TIMING: 2952800 CPU: 9332.22, 0.00313544/step Wall: 9332.22, 0.00313544/step, 1.78302 hours remaining, 237.332031 MB of memory in use. ENERGY: 2952800 3947.5108 20504.0899 14476.9563 259.4798 -203421.5999 2449.4271 0.0000 0.0000 52008.6649 -109775.4712 298.8945 -161784.1360 -109417.7608 298.4126 174.9747 206.6821 758623.9356 0.5331 0.6817 PRESSURE: 2953000 -135.968 -56.795 -50.0212 -56.7941 -183.171 65.9859 -50.0214 65.9855 62.1863 GPRESSURE: 2953000 -115.231 -10.1758 -95.2322 -42.7834 -126.257 122.914 -57.9779 -14.1233 50.0932 PRESSAVG: 2953000 14.1333 -53.8082 45.1722 -53.8082 -18.4054 19.9082 45.1722 19.9082 -5.67717 GPRESSAVG: 2953000 15.0152 -53.9611 43.7092 -53.3547 -18.7632 20.5294 46.5308 20.0784 -6.64921 TIMING: 2953000 CPU: 9332.85, 0.00314455/step Wall: 9332.85, 0.00314455/step, 1.78803 hours remaining, 237.332031 MB of memory in use. ENERGY: 2953000 4074.5805 20361.2422 14485.0702 248.1311 -203259.6722 2409.4953 0.0000 0.0000 51951.0381 -109730.1149 298.5633 -161681.1530 -109365.9478 298.9635 -85.6510 -63.7981 760696.0172 -3.3164 -3.4657 PRESSURE: 2953200 139.944 -204.952 -167.159 -204.953 179.578 -73.8459 -167.158 -73.8459 -554.397 GPRESSURE: 2953200 116.992 -185.813 -84.804 -140.096 222.59 -39.9061 -177.183 -164.888 -482.399 PRESSAVG: 2953200 37.181 -87.4001 35.3797 -87.4001 -81.5049 44.5897 35.3798 44.5897 -8.74129 GPRESSAVG: 2953200 35.7356 -88.6369 35.7868 -87.0549 -80.5778 43.4199 34.5259 44.6574 -8.21232 TIMING: 2953200 CPU: 9333.48, 0.00317724/step Wall: 9333.48, 0.00317724/step, 1.80644 hours remaining, 237.332031 MB of memory in use. ENERGY: 2953200 4052.6583 20412.6414 14448.3662 234.4722 -203957.9921 2955.4099 0.0000 0.0000 52186.8519 -109667.5923 299.9186 -161854.4442 -109314.9173 298.4511 -78.2918 -47.6057 759771.0619 -17.6884 -17.6848 PRESSURE: 2953400 -155.191 -8.11336 -60.7731 -8.11297 -160.839 -13.7129 -60.7734 -13.7136 93.1407 GPRESSURE: 2953400 -149.676 68.27 -41.3888 -18.8472 -90.9665 56.5032 -21.5015 116.46 134.88 PRESSAVG: 2953400 29.7218 -27.8027 27.9527 -27.8028 -50.2603 -18.474 27.9527 -18.474 -4.67269 GPRESSAVG: 2953400 29.9979 -26.2391 29.8481 -28.5627 -50.8035 -16.9948 26.6161 -18.9071 -3.89295 TIMING: 2953400 CPU: 9334.11, 0.00313597/step Wall: 9334.11, 0.00313597/step, 1.7828 hours remaining, 237.332031 MB of memory in use. ENERGY: 2953400 4038.1776 20425.4013 14431.8018 256.7617 -202972.3982 2298.4444 0.0000 0.0000 51864.0351 -109657.7763 298.0633 -161521.8114 -109300.5903 298.6134 -74.2962 -35.2542 761388.8078 -8.4037 -8.2329 PRESSURE: 2953600 -63.3818 -232.436 30.2412 -232.436 -521.968 8.97641 30.2415 8.97872 80.0619 GPRESSURE: 2953600 -17.6216 -174.065 12.9567 -220.692 -438.941 86.5355 85.9626 -15.8401 20.4065 PRESSAVG: 2953600 51.3193 6.21663 -6.98055 6.21663 -30.69 13.8128 -6.98051 13.8128 -15.9984 GPRESSAVG: 2953600 51.7294 6.81264 -8.37193 5.81813 -29.4146 11.7409 -4.71464 15.2313 -17.4186 TIMING: 2953600 CPU: 9334.74, 0.00312721/step Wall: 9334.74, 0.00312721/step, 1.77764 hours remaining, 237.332031 MB of memory in use. ENERGY: 2953600 3937.5081 20450.8095 14416.4954 233.1478 -202908.0719 2227.3924 0.0000 0.0000 51958.3107 -109684.4080 298.6051 -161642.7187 -109324.4235 299.0157 -168.4293 -145.3856 761009.1420 1.5436 1.6321 PRESSURE: 2953800 -204.619 -159.668 449.017 -159.668 31.1712 37.2577 449.017 37.2577 -336.928 GPRESSURE: 2953800 -189.046 -151.377 441.567 -47.3102 71.8884 156.268 262.93 42.8319 -309.71 PRESSAVG: 2953800 26.8956 -44.6741 1.02209 -44.6742 -0.532651 12.8178 1.02206 12.8178 -16.0216 GPRESSAVG: 2953800 26.2018 -45.7015 2.24786 -42.4052 -0.919568 12.8533 0.137724 11.1174 -14.8311 TIMING: 2953800 CPU: 9335.37, 0.00314979/step Wall: 9335.37, 0.00314979/step, 1.7903 hours remaining, 237.332031 MB of memory in use. ENERGY: 2953800 4032.7534 20446.9050 14439.2081 250.3832 -203121.3915 2607.5786 0.0000 0.0000 51751.6613 -109592.9020 297.4175 -161344.5632 -109244.0654 298.8328 -170.1255 -142.2891 762278.1944 3.4471 3.4837 PRESSURE: 2954000 -28.6093 84.9248 107.052 84.9238 -32.0664 -253.051 107.053 -253.051 496.473 GPRESSURE: 2954000 44.4347 -9.87113 78.7552 -60.5043 -19.8323 -268.255 175.417 -245.518 495.085 PRESSAVG: 2954000 38.6298 -57.007 27.8092 -57.007 -24.7496 -47.1132 27.8092 -47.1132 -1.85154 GPRESSAVG: 2954000 39.369 -57.5424 28.0312 -59.2296 -25.1162 -47.6016 28.4372 -46.07 -2.03982 TIMING: 2954000 CPU: 9336, 0.00316373/step Wall: 9336, 0.00316373/step, 1.79805 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2954000 3940.7521 20434.5812 14448.1847 243.3072 -203275.2976 2506.1538 0.0000 0.0000 51888.2536 -109814.0651 298.2025 -161702.3187 -109454.8131 298.7793 145.2657 173.2290 759364.6176 4.0096 4.0710 PRESSURE: 2954200 4.25115 -373.139 -256.384 -373.139 -56.9084 105.459 -256.383 105.458 67.1784 GPRESSURE: 2954200 -32.4244 -389.897 -242.616 -282.146 -0.731767 12.5104 -59.8878 147.134 139.288 PRESSAVG: 2954200 26.0411 -20.4985 -14.8995 -20.4984 -25.8991 -49.8176 -14.8995 -49.8176 -1.42969 GPRESSAVG: 2954200 25.7314 -22.1364 -15.1035 -19.5237 -25.0801 -50.8301 -13.8122 -47.473 -2.40759 TIMING: 2954200 CPU: 9336.62, 0.00312344/step Wall: 9336.62, 0.00312344/step, 1.77498 hours remaining, 237.332031 MB of memory in use. ENERGY: 2954200 3984.5043 20499.8332 14412.4510 223.4399 -202917.7639 2314.3070 0.0000 0.0000 51869.5077 -109613.7208 298.0948 -161483.2285 -109261.2302 298.7257 4.8404 35.3771 760376.4556 -0.4292 -0.5854 PRESSURE: 2954400 396.436 -148.068 50.9796 -148.067 -311.184 133.371 50.9801 133.371 2.26059 GPRESSURE: 2954400 426.959 -158.905 48.7261 -153.397 -268.902 83.7288 118.442 91.5284 1.76799 PRESSAVG: 2954400 71.9271 -55.754 28.398 -55.7541 -53.3959 10.4482 28.3979 10.4483 19.2169 GPRESSAVG: 2954400 71.1193 -54.7179 28.5221 -55.9085 -53.863 11.7135 28.1092 10.285 20.3334 TIMING: 2954400 CPU: 9337.25, 0.00314137/step Wall: 9337.25, 0.00314137/step, 1.785 hours remaining, 237.332031 MB of memory in use. ENERGY: 2954400 3887.3869 20481.6560 14434.6669 246.1475 -203020.8565 2395.8017 0.0000 0.0000 52017.6617 -109557.5358 298.9462 -161575.1975 -109196.9422 299.1289 29.1710 53.2748 759138.5038 12.5827 12.5299 PRESSURE: 2954600 -16.667 -6.82901 137.727 -6.82837 -102.401 121.629 137.729 121.629 105.126 GPRESSURE: 2954600 53.5416 27.8116 197.795 42.7896 -129.704 86.9564 -69.6855 73.5878 126.375 PRESSAVG: 2954600 81.1757 -6.83262 20.6521 -6.83254 -42.4789 25.9023 20.6521 25.9024 -11.5462 GPRESSAVG: 2954600 80.579 -5.40799 19.648 -6.80917 -43.7593 25.2825 19.7867 25.8008 -10.0965 TIMING: 2954600 CPU: 9337.88, 0.00315313/step Wall: 9337.88, 0.00315313/step, 1.7915 hours remaining, 237.332031 MB of memory in use. ENERGY: 2954600 3981.0932 20610.8017 14457.8515 255.3593 -203396.5296 2350.4970 0.0000 0.0000 52046.0274 -109694.8995 299.1092 -161740.9270 -109345.0713 299.1395 -4.6473 16.7375 760262.5215 9.0502 8.9077 PRESSURE: 2954800 -551.555 -24.9815 -105.726 -24.982 -238.469 -92.8535 -105.727 -92.8526 70.7929 GPRESSURE: 2954800 -505.978 32.3834 3.57582 -34.6839 -186.694 -80.5611 -47.3597 -90.8728 60.3052 PRESSAVG: 2954800 46.249 -1.07319 -35.1771 -1.07319 -58.1204 1.48227 -35.1771 1.48239 7.65216 GPRESSAVG: 2954800 47.2675 -2.1004 -33.5173 0.613958 -57.2423 1.91876 -36.5862 1.24732 5.82295 TIMING: 2954800 CPU: 9338.52, 0.00316233/step Wall: 9338.52, 0.00316233/step, 1.79656 hours remaining, 237.332031 MB of memory in use. ENERGY: 2954800 3968.7535 20472.8132 14494.1055 239.3842 -203142.2550 2440.7956 0.0000 0.0000 51972.9652 -109553.4378 298.6893 -161526.4029 -109181.9237 299.4087 -239.7438 -210.7891 761818.5378 -1.4064 -1.3839 PRESSURE: 2955000 26.7991 -140.135 -63.2156 -140.135 -145.048 188.777 -63.2155 188.776 18.1107 GPRESSURE: 2955000 29.52 -31.4221 -2.36345 -177.277 -117.422 176.543 -91.3258 40.0033 51.651 PRESSAVG: 2955000 13.8769 15.0852 44.6843 15.0851 -31.2766 -17.2075 44.6844 -17.2074 4.14185 GPRESSAVG: 2955000 14.0327 15.1555 44.3921 12.4038 -31.0803 -17.9309 45.2877 -16.412 4.49877 TIMING: 2955000 CPU: 9339.15, 0.00316275/step Wall: 9339.15, 0.00316275/step, 1.79662 hours remaining, 237.332031 MB of memory in use. ENERGY: 2955000 3959.0319 20563.7828 14451.1730 241.9928 -203564.3154 2597.8117 0.0000 0.0000 52207.1626 -109543.3607 300.0353 -161750.5233 -109181.8782 299.4603 -33.3794 -12.0837 759051.8347 -4.4193 -4.1829 PRESSURE: 2955200 -224.757 60.66 83.2512 60.6595 -372.74 -131.339 83.2519 -131.34 67.4363 GPRESSURE: 2955200 -195.859 83.7061 94.3168 20.0349 -265.646 -94.1623 2.96987 -146.043 20.6723 PRESSAVG: 2955200 4.9798 -0.337179 2.09361 -0.337222 3.94854 14.1569 2.09356 14.157 16.5062 GPRESSAVG: 2955200 6.34341 -1.84865 1.29919 1.20081 3.29261 14.6096 0.983776 11.0155 15.6535 TIMING: 2955200 CPU: 9339.78, 0.00317329/step Wall: 9339.78, 0.00317329/step, 1.80243 hours remaining, 237.332031 MB of memory in use. ENERGY: 2955200 3936.2916 20372.9097 14473.0597 237.8935 -203024.5126 2200.4817 0.0000 0.0000 52123.4293 -109680.4471 299.5541 -161803.8764 -109300.7673 299.2083 -176.6870 -146.9440 761367.9901 8.4782 8.4298 PRESSURE: 2955400 -313.866 80.6747 89.5122 80.6758 -281.4 34.6126 89.5116 34.6125 -48.4117 GPRESSURE: 2955400 -163.747 50.2809 116.793 47.2309 -322.466 -72.3527 -53.5909 80.2764 -76.5631 PRESSAVG: 2955400 -3.90486 -51.6072 0.99781 -51.6073 -31.3172 34.8072 0.997792 34.8073 4.69263 GPRESSAVG: 2955400 -4.04155 -50.2854 1.43655 -51.8921 -32.3527 34.6172 2.65256 36.7156 5.74966 TIMING: 2955400 CPU: 9340.42, 0.00316312/step Wall: 9340.42, 0.00316312/step, 1.79648 hours remaining, 237.332031 MB of memory in use. ENERGY: 2955400 4011.2225 20488.3327 14459.8636 241.7728 -203385.4527 2356.0289 0.0000 0.0000 52024.0561 -109804.1761 298.9830 -161828.2323 -109443.3866 298.6170 -214.5595 -187.5921 760784.6255 -10.1765 -10.2149 PRESSURE: 2955600 -266.615 64.8607 16.2384 64.8589 -179.115 -84.73 16.2391 -84.7299 202.932 GPRESSURE: 2955600 -169.295 2.76312 77.2059 85.9067 -116.231 -27.4533 -54.3915 -113.493 137.695 PRESSAVG: 2955600 24.2158 1.81727 -41.9149 1.81732 -19.7382 20.549 -41.9149 20.549 21.1193 GPRESSAVG: 2955600 22.8878 -0.00660415 -41.1619 1.98228 -19.0277 21.6532 -43.0523 19.6329 21.4285 TIMING: 2955600 CPU: 9341.05, 0.00315384/step Wall: 9341.05, 0.00315384/step, 1.79103 hours remaining, 237.332031 MB of memory in use. ENERGY: 2955600 3920.5744 20476.1344 14387.3618 271.8467 -203177.5674 2388.9296 0.0000 0.0000 51931.5586 -109801.1620 298.4514 -161732.7206 -109434.8550 298.4803 -80.9327 -49.2769 762644.9614 8.5323 8.4295 PRESSURE: 2955800 -80.5146 27.1872 -218.805 27.1878 -145.565 134.888 -218.806 134.888 -207.426 GPRESSURE: 2955800 -40.7477 -96.5939 -221.195 146.23 -185.427 164.661 -102.904 155.21 -148.322 PRESSAVG: 2955800 -39.0575 -44.184 45.7263 -44.184 56.6037 31.3087 45.7263 31.3087 2.2732 GPRESSAVG: 2955800 -38.2982 -43.047 46.2227 -45.1105 56.9636 30.7936 45.6739 31.7525 1.44715 TIMING: 2955800 CPU: 9341.67, 0.00313853/step Wall: 9341.67, 0.00313853/step, 1.78216 hours remaining, 237.332031 MB of memory in use. ENERGY: 2955800 3955.9906 20544.2404 14394.1463 257.5130 -203270.6963 2374.1396 0.0000 0.0000 52118.1802 -109626.4861 299.5239 -161744.6663 -109262.3904 299.1307 -144.5017 -124.8323 762885.5450 6.6065 6.7042 PRESSURE: 2956000 21.9668 -14.2032 -84.7588 -14.2024 -20.1248 108.633 -84.7588 108.632 -578.724 GPRESSURE: 2956000 -8.07397 88.3015 -103.638 -65.4252 84.1578 124.165 -86.6224 113.124 -572.739 PRESSAVG: 2956000 30.1558 -42.5439 14.8699 -42.5439 -37.0261 -6.32246 14.8699 -6.32243 25.2855 GPRESSAVG: 2956000 29.8254 -42.5571 12.9306 -43.0138 -36.7728 -6.07555 17.1227 -7.27498 25.6155 TIMING: 2956000 CPU: 9342.3, 0.00314226/step Wall: 9342.3, 0.00314226/step, 1.78411 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2956000 3999.1218 20496.9621 14404.2312 255.3743 -203503.8697 2515.6721 0.0000 0.0000 52113.9678 -109718.5405 299.4997 -161832.5083 -109352.3535 298.5903 -192.2941 -165.5516 762279.7283 6.1384 6.2227 PRESSURE: 2956200 271.393 -145.35 151.184 -145.351 -82.066 44.8115 151.184 44.8113 78.1748 GPRESSURE: 2956200 264.056 -120.425 137.899 -102.049 -6.36502 -19.0624 107.245 5.7708 82.5882 PRESSAVG: 2956200 58.9409 -39.375 -1.78679 -39.3749 -11.4848 -15.916 -1.78683 -15.916 -8.23999 GPRESSAVG: 2956200 57.6198 -40.8854 -0.994064 -38.3983 -10.4089 -16.7571 -3.40194 -15.769 -7.76702 TIMING: 2956200 CPU: 9342.93, 0.00314878/step Wall: 9342.93, 0.00314878/step, 1.78763 hours remaining, 237.332031 MB of memory in use. ENERGY: 2956200 4043.1461 20503.5763 14416.7555 252.3141 -203401.1391 2635.7741 0.0000 0.0000 51892.9547 -109656.6184 298.2295 -161549.5731 -109300.0563 298.8333 89.1673 113.4264 763168.8149 13.0720 13.1480 LDB: ============= START OF LOAD BALANCING ============== 9355.33 LDB: ============== END OF LOAD BALANCING =============== 9355.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9355.33 LDB: ============= START OF LOAD BALANCING ============== 9355.65 LDB: Largest compute 7028 load 0.031082 is 15.9% of average load 0.196067 LDB: Average compute 0.004376 is 2.2% of average load 0.196067 LDB: TIME 9355.65 LOAD: AVG 0.196067 MAX 0.214832 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.344 MB LDB: TIME 9355.65 LOAD: AVG 0.196067 MAX 0.214832 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.344 MB LDB: TIME 9355.65 LOAD: AVG 0.196067 MAX 0.214832 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.344 MB LDB: ============== END OF LOAD BALANCING =============== 9355.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9355.66 PRESSURE: 2956400 6.55797 42.9835 70.9896 42.984 -341.773 -187.224 70.9881 -187.224 50.6157 GPRESSURE: 2956400 12.0528 60.7318 137.9 -9.53617 -240.638 40.2687 41.1687 -199.151 24.4052 PRESSAVG: 2956400 22.7365 -44.5861 -24.8511 -44.5861 -44.0912 37.8523 -24.851 37.8524 -15.1564 GPRESSAVG: 2956400 23.4594 -43.2602 -26.3653 -45.0365 -44.8197 38.0837 -24.2932 37.8172 -15.4827 TIMING: 2956400 CPU: 9343.58, 0.00322002/step Wall: 9343.58, 0.00322002/step, 1.8279 hours remaining, 241.425781 MB of memory in use. ENERGY: 2956400 4004.3169 20437.8584 14372.1869 246.9808 -203550.6549 2728.2325 0.0000 0.0000 51877.6095 -109883.4699 298.1413 -161761.0794 -109526.5240 298.6721 -94.8663 -68.0600 760749.7062 -12.1704 -12.2810 PRESSURE: 2956600 49.3548 -100.632 192.292 -100.632 -103.692 -50.2508 192.292 -50.2493 125.54 GPRESSURE: 2956600 63.5729 -159.662 132.891 -73.7998 -29.6322 -57.54 46.2955 0.0381509 115.642 PRESSAVG: 2956600 64.1822 -53.581 62.4753 -53.581 -52.5318 -12.0321 62.4753 -12.0321 6.33234 GPRESSAVG: 2956600 63.9981 -53.7201 63.9086 -55.5011 -52.7066 -10.8714 61.2955 -11.3398 6.52332 TIMING: 2956600 CPU: 9344.21, 0.00315878/step Wall: 9344.21, 0.00315878/step, 1.79296 hours remaining, 241.437500 MB of memory in use. ENERGY: 2956600 4076.2083 20626.3422 14380.1307 241.3591 -203430.8166 2600.4210 0.0000 0.0000 52045.3033 -109461.0520 299.1051 -161506.3553 -109108.1870 299.1567 23.7341 49.8609 760674.3154 5.9942 5.9383 PRESSURE: 2956800 371.951 -47.5004 -51.3583 -47.5007 -113.588 -118.215 -51.3588 -118.215 112.501 GPRESSURE: 2956800 305.29 -71.633 -15.7643 -79.6745 38.3082 -42.3149 -104.845 -172.695 124.784 PRESSAVG: 2956800 50.9171 -42.1404 63.3678 -42.1404 -58.6335 10.8781 63.3678 10.8781 16.7905 GPRESSAVG: 2956800 52.4825 -41.5474 62.537 -38.9272 -60.0307 10.2336 63.9176 11.4636 16.559 TIMING: 2956800 CPU: 9344.84, 0.0031442/step Wall: 9344.84, 0.0031442/step, 1.78451 hours remaining, 241.437500 MB of memory in use. ENERGY: 2956800 3976.8304 20325.1759 14426.6656 259.9752 -203499.4006 2653.3001 0.0000 0.0000 52374.4931 -109482.9602 300.9969 -161857.4533 -109123.9539 299.7742 123.6211 156.1273 760878.5538 3.0247 3.0036 PRESSURE: 2957000 92.1076 -294.549 81.7071 -294.55 10.6227 70.1378 81.7071 70.137 -5.85074 GPRESSURE: 2957000 88.6467 -286.858 37.9963 -397.034 83.7937 160.042 148.625 -92.4986 20.6679 PRESSAVG: 2957000 36.8453 -57.2663 -12.0422 -57.2663 -6.35381 -21.7174 -12.0422 -21.7174 -5.01247 GPRESSAVG: 2957000 35.0985 -56.2602 -11.501 -57.7354 -5.09068 -21.581 -13.5062 -24.3764 -4.43308 TIMING: 2957000 CPU: 9345.46, 0.00312925/step Wall: 9345.46, 0.00312925/step, 1.77585 hours remaining, 241.437500 MB of memory in use. ENERGY: 2957000 3941.2907 20524.7117 14450.0621 237.4782 -203082.3112 2375.2440 0.0000 0.0000 51956.6267 -109596.8977 298.5954 -161553.5244 -109238.5760 299.4518 32.2932 64.3694 762020.3605 8.4930 8.5249 PRESSURE: 2957200 17.7685 115.5 234.982 115.5 321.325 -263.54 234.982 -263.54 -222.762 GPRESSURE: 2957200 58.7923 -37.1778 295.164 62.9764 288.427 -288.81 176.971 -222.878 -157.485 PRESSAVG: 2957200 36.9108 -71.5535 34.4828 -71.5534 -25.5049 -18.0321 34.4827 -18.0322 -8.07977 GPRESSAVG: 2957200 37.0941 -74.8812 33.2247 -71.142 -27.182 -18.0956 36.8109 -17.3236 -7.30567 TIMING: 2957200 CPU: 9346.09, 0.00312379/step Wall: 9346.09, 0.00312379/step, 1.77258 hours remaining, 241.437500 MB of memory in use. ENERGY: 2957200 3981.3237 20704.7374 14425.2381 249.9743 -203653.2747 2835.0476 0.0000 0.0000 51895.6490 -109561.3047 298.2450 -161456.9537 -109204.9248 299.3237 38.7773 63.2447 761889.0646 1.1087 0.8688 PRESSURE: 2957400 -131.028 -28.7751 7.1998 -28.7742 -397.804 -37.679 7.20027 -37.6803 -343.758 GPRESSURE: 2957400 -33.825 -19.2953 -26.2 -62.7227 -452.227 -122.637 89.0168 7.12459 -301.927 PRESSAVG: 2957400 44.5026 5.35423 66.7655 5.35423 -41.5261 -10.2182 66.7655 -10.2182 -9.3585 GPRESSAVG: 2957400 44.8645 6.57895 67.5577 4.52531 -40.3843 -11.1249 65.2308 -8.95841 -10.5456 TIMING: 2957400 CPU: 9346.71, 0.00313074/step Wall: 9346.71, 0.00313074/step, 1.77635 hours remaining, 241.437500 MB of memory in use. ENERGY: 2957400 4052.9366 20480.3012 14363.4439 249.6388 -203205.2776 2356.5252 0.0000 0.0000 51937.3516 -109765.0803 298.4847 -161702.4320 -109387.1446 299.4835 -290.8632 -262.6596 762149.7305 -2.1273 -2.0218 PRESSURE: 2957600 174.1 -18.5612 178.386 -18.561 126.248 31.4004 178.385 31.4008 204.877 GPRESSURE: 2957600 211.267 138.99 146.193 -54.4747 111.682 2.04346 169.443 18.3913 274 PRESSAVG: 2957600 18.8148 -30.2549 23.9089 -30.2549 -63.6954 8.51243 23.9089 8.51241 6.4498 GPRESSAVG: 2957600 20.6039 -27.9654 23.3968 -28.5273 -64.5612 9.29986 23.0888 9.50046 5.24787 TIMING: 2957600 CPU: 9347.34, 0.00314806/step Wall: 9347.34, 0.00314806/step, 1.786 hours remaining, 241.437500 MB of memory in use. ENERGY: 2957600 3923.2544 20520.1310 14342.5382 233.4060 -203402.5007 2623.1596 0.0000 0.0000 51772.6395 -109987.3721 297.5381 -161760.0116 -109634.1039 298.6094 168.4081 198.9830 760105.0361 -12.8103 -12.9031 PRESSURE: 2957800 -201.569 -5.13672 -161.943 -5.13665 -363.661 24.3221 -161.943 24.3219 -53.0654 GPRESSURE: 2957800 -258.187 14.7416 -184.866 -50.027 -230.282 19.376 -134.846 68.6292 -42.4434 PRESSAVG: 2957800 47.8484 -37.1542 -41.704 -37.1541 -36.1408 20.7904 -41.7041 20.7905 12.61 GPRESSAVG: 2957800 45.839 -36.48 -42.3085 -39.2393 -34.6948 20.5506 -39.1835 19.447 12.9299 TIMING: 2957800 CPU: 9347.97, 0.00315049/step Wall: 9347.97, 0.00315049/step, 1.7872 hours remaining, 241.437500 MB of memory in use. ENERGY: 2957800 3938.1130 20391.1635 14362.5532 238.3557 -203362.3503 2304.4750 0.0000 0.0000 51756.4427 -110371.2473 297.4450 -162127.6899 -109998.0893 298.5244 -206.0983 -176.9708 762773.0209 8.1059 8.0247 PRESSURE: 2958000 147.399 -170.679 -47.687 -170.679 -30.6164 11.5622 -47.6865 11.5613 186.814 GPRESSURE: 2958000 197.263 -172.24 -111.643 -148.278 -62.5444 -58.7771 72.9822 53.416 253.629 PRESSAVG: 2958000 0.259779 -61.7448 -46.4293 -61.7448 -13.2921 -13.2949 -46.4292 -13.2948 -12.2389 GPRESSAVG: 2958000 -0.942618 -62.4886 -46.4017 -62.4863 -13.4383 -13.0725 -46.1639 -12.4525 -11.3687 TIMING: 2958000 CPU: 9348.6, 0.00312841/step Wall: 9348.6, 0.00312841/step, 1.7745 hours remaining, 241.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2958000 3950.2066 20517.9950 14403.9543 232.6587 -203904.6930 2670.0041 0.0000 0.0000 51805.6746 -110324.1998 297.7279 -162129.8744 -109959.0479 297.3456 101.1989 129.4493 760350.8468 -8.4237 -8.5832 PRESSURE: 2958200 176.123 64.409 254.3 64.41 460.795 140.66 254.3 140.66 270.944 GPRESSURE: 2958200 256.552 -1.02786 126.119 87.9118 484.171 30.2127 248.106 88.4296 272.799 PRESSAVG: 2958200 64.4573 -71.0349 -31.9247 -71.0349 -13.3127 -2.75613 -31.9247 -2.75607 -49.7415 GPRESSAVG: 2958200 66.4556 -71.3747 -32.8012 -70.2317 -14.5699 -4.28164 -33.5131 -2.81911 -50.4054 TIMING: 2958200 CPU: 9349.23, 0.00315378/step Wall: 9349.23, 0.00315378/step, 1.78872 hours remaining, 241.437500 MB of memory in use. ENERGY: 2958200 3976.0412 20433.1899 14476.6369 240.9227 -203600.7619 2613.6464 0.0000 0.0000 51714.4691 -110145.8557 297.2038 -161860.3247 -109788.7175 298.0872 302.6207 337.8404 761813.7741 0.4677 0.4934 PRESSURE: 2958400 178.319 -136.615 75.1329 -136.615 134.687 -87.2315 75.1335 -87.2313 -123.137 GPRESSURE: 2958400 130.092 -222.184 53.1641 -188.691 135.395 -126.666 28.3832 -55.7166 -32.3659 PRESSAVG: 2958400 67.21 -3.22129 11.2146 -3.22126 -56.9031 -2.92476 11.2146 -2.92474 20.8006 GPRESSAVG: 2958400 66.0146 -3.35601 13.845 -3.44074 -55.8791 -2.46145 10.3324 -3.92194 20.3196 TIMING: 2958400 CPU: 9349.86, 0.00313929/step Wall: 9349.86, 0.00313929/step, 1.78033 hours remaining, 241.437500 MB of memory in use. ENERGY: 2958400 3871.9219 20522.5088 14481.0642 255.8271 -203713.6376 2508.3285 0.0000 0.0000 52191.9812 -109882.0059 299.9480 -162073.9871 -109525.7413 298.2936 63.2894 77.7069 763122.6439 10.3692 10.1517 PRESSURE: 2958600 88.9914 233.488 -392.487 233.487 150.636 66.3873 -392.488 66.387 -343.851 GPRESSURE: 2958600 235.707 139.228 -436.716 111.478 130.765 81.8705 -299.668 68.7032 -360.892 PRESSAVG: 2958600 24.8655 -18.8336 -11.3691 -18.8336 7.85026 3.23085 -11.3691 3.23087 -4.21323 GPRESSAVG: 2958600 26.9341 -17.1521 -12.8727 -20.8114 6.45266 5.01404 -9.94343 2.42887 -4.33884 TIMING: 2958600 CPU: 9350.49, 0.00315444/step Wall: 9350.49, 0.00315443/step, 1.78874 hours remaining, 241.437500 MB of memory in use. ENERGY: 2958600 4013.3848 20524.3286 14452.9229 240.6801 -203923.0373 2980.4257 0.0000 0.0000 51801.5355 -109909.7597 297.7041 -161711.2952 -109554.3314 298.6226 -34.7412 1.8598 761503.2444 9.5008 9.6826 PRESSURE: 2958800 -59.6906 42.2037 -56.8191 42.2043 -147.7 -150.962 -56.8192 -150.962 -272.424 GPRESSURE: 2958800 -141.111 22.4036 -34.7421 202.853 -18.3635 -178.571 6.26426 -100.598 -226.781 PRESSAVG: 2958800 -26.5066 -16.5409 8.00681 -16.5409 28.7167 27.9634 8.00686 27.9634 -11.0977 GPRESSAVG: 2958800 -28.6026 -16.9454 6.6814 -14.9673 30.1481 27.0353 8.37739 29.643 -10.52 TIMING: 2958800 CPU: 9351.12, 0.0031377/step Wall: 9351.12, 0.00313769/step, 1.77907 hours remaining, 241.437500 MB of memory in use. ENERGY: 2958800 4017.8526 20574.9180 14421.1229 257.6825 -203664.5263 2676.9916 0.0000 0.0000 51697.6686 -110018.2901 297.1072 -161715.9587 -109663.6168 298.0457 -159.9380 -128.7521 761899.3773 -2.9625 -2.9915 PRESSURE: 2959000 -39.3205 81.4639 59.6793 81.4645 -184.885 -43.8426 59.6798 -43.8415 195.995 GPRESSURE: 2959000 -8.06135 49.8022 144.811 27.2491 -160.602 -50.1579 108.881 4.16409 206.633 PRESSAVG: 2959000 45.1567 51.1625 -10.7556 51.1626 -41.2071 83.3661 -10.7556 83.3661 -10.3721 GPRESSAVG: 2959000 45.7265 51.2661 -9.58378 51.6091 -42.0023 83.2349 -10.1568 79.2025 -10.5617 TIMING: 2959000 CPU: 9351.74, 0.00313702/step Wall: 9351.74, 0.00313702/step, 1.77852 hours remaining, 241.437500 MB of memory in use. ENERGY: 2959000 3997.4247 20539.9276 14455.3106 267.4465 -203320.5935 2413.1600 0.0000 0.0000 51713.3491 -109933.9749 297.1973 -161647.3240 -109577.1392 298.4630 -9.4033 12.6566 760448.1946 -2.1408 -2.2791 PRESSURE: 2959200 249.621 82.5639 -145.505 82.564 64.889 150.834 -145.505 150.834 -110.671 GPRESSURE: 2959200 267.969 22.1735 -149.393 48.7866 104.474 162.112 -76.2614 159.46 -72.776 PRESSAVG: 2959200 3.70167 -37.8176 -9.20561 -37.8176 -22.3889 24.749 -9.20561 24.749 4.04576 GPRESSAVG: 2959200 4.36038 -38.5998 -9.16145 -37.9229 -23.1605 24.1544 -8.44198 27.1994 3.53978 TIMING: 2959200 CPU: 9352.37, 0.00314024/step Wall: 9352.37, 0.00314024/step, 1.78017 hours remaining, 241.437500 MB of memory in use. ENERGY: 2959200 4007.6129 20495.6848 14401.5596 251.5387 -204074.0690 3025.5205 0.0000 0.0000 52126.7450 -109765.4073 299.5731 -161892.1524 -109410.7808 298.8696 67.9464 99.8890 760343.0374 -4.8805 -5.0868 PRESSURE: 2959400 -174.554 78.3906 -2.94654 78.3909 -92.004 -156.804 -2.94677 -156.805 109.539 GPRESSURE: 2959400 -148.209 127.414 -88.7011 113.142 -59.0531 -94.9949 19.1592 -119.729 123.107 PRESSAVG: 2959400 -22.1864 -13.1081 -37.0584 -13.1081 6.54492 42.8688 -37.0583 42.8687 18.6876 GPRESSAVG: 2959400 -22.0557 -12.2707 -37.5768 -12.392 6.53652 42.77 -37.8914 42.7246 18.5629 TIMING: 2959400 CPU: 9353, 0.00313557/step Wall: 9353, 0.00313557/step, 1.77734 hours remaining, 241.437500 MB of memory in use. ENERGY: 2959400 4011.1783 20599.8067 14385.8199 236.5808 -204111.0787 2892.7711 0.0000 0.0000 52194.0871 -109790.8347 299.9601 -161984.9218 -109418.6508 299.0669 -52.3398 -28.0517 761199.0650 1.0154 1.0146 PRESSURE: 2959600 93.2635 62.7479 44.109 62.7494 69.9908 274.732 44.1097 274.731 -305.895 GPRESSURE: 2959600 30.7227 -4.58231 -11.9417 -81.9178 253.771 286.492 39.4032 93.0085 -347.507 PRESSAVG: 2959600 4.59737 -34.8583 -54.4711 -34.8584 42.6344 19.1022 -54.4711 19.1023 -18.7058 GPRESSAVG: 2959600 4.64266 -35.0468 -53.6653 -37.2762 41.9747 20.2092 -55.3784 18.6871 -18.2155 TIMING: 2959600 CPU: 9353.63, 0.00315829/step Wall: 9353.63, 0.0031583/step, 1.79005 hours remaining, 241.437500 MB of memory in use. ENERGY: 2959600 4001.6944 20542.7232 14380.6789 245.4786 -203651.1571 2751.2232 0.0000 0.0000 51843.5720 -109885.7866 297.9457 -161729.3587 -109520.8459 298.3914 -47.5471 -21.0047 760615.4988 9.5086 9.4673 PRESSURE: 2959800 14.8385 15.9614 -61.2366 15.9629 -148.187 141.89 -61.2365 141.891 -79.0047 GPRESSURE: 2959800 35.8008 -82.2438 -74.9343 65.7468 -71.1244 87.3281 -28.6412 105.601 -72.9806 PRESSAVG: 2959800 64.5979 -6.32717 -14.968 -6.32713 -32.8112 14.194 -14.9681 14.194 2.37518 GPRESSAVG: 2959800 63.741 -6.92242 -14.8418 -4.95284 -31.1625 13.142 -15.449 13.6874 2.13442 TIMING: 2959800 CPU: 9354.26, 0.00315331/step Wall: 9354.26, 0.00315331/step, 1.78705 hours remaining, 241.437500 MB of memory in use. ENERGY: 2959800 3966.8035 20538.4872 14417.8225 259.8240 -203597.9073 2616.1073 0.0000 0.0000 51917.2067 -109881.6561 298.3689 -161798.8627 -109524.3899 298.8173 -70.7845 -36.1014 761049.6218 11.3873 11.5710 PRESSURE: 2960000 -276.911 -53.5927 37.3455 -53.5924 102.391 16.789 37.3456 16.7886 -56.4707 GPRESSURE: 2960000 -170.923 -188.809 118.273 88.176 117.535 114.842 12.5697 45.1135 -93.4397 PRESSAVG: 2960000 -18.564 10.5112 -58.254 10.5112 -25.4582 -21.8157 -58.254 -21.8158 -9.73621 GPRESSAVG: 2960000 -16.8712 12.611 -57.2252 10.1666 -27.5225 -21.7299 -56.8404 -19.388 -8.97471 TIMING: 2960000 CPU: 9354.9, 0.00320472/step Wall: 9354.9, 0.00320472/step, 1.81601 hours remaining, 241.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2960000 3912.6865 20314.0911 14409.4564 271.0684 -203541.3410 2645.9571 0.0000 0.0000 51790.2400 -110197.8415 297.6392 -161988.0815 -109822.9526 297.7415 -76.9968 -48.9427 761747.3123 -17.9195 -17.7895 PRESSURE: 2960200 -28.1135 129.26 304.463 129.259 -124.128 126.742 304.463 126.743 -297.992 GPRESSURE: 2960200 -49.7674 157.715 236.985 157.474 -103.234 174.373 238.436 99.8411 -221.326 PRESSAVG: 2960200 48.6424 -12.1094 43.0013 -12.1095 -20.101 -11.7445 43.0013 -11.7446 -0.722195 GPRESSAVG: 2960200 47.1418 -14.7196 41.5536 -10.9139 -19.3321 -11.4004 42.5799 -13.8095 -0.134594 TIMING: 2960200 CPU: 9355.53, 0.00314836/step Wall: 9355.53, 0.00314836/step, 1.7839 hours remaining, 241.437500 MB of memory in use. ENERGY: 2960200 3968.6556 20533.8532 14448.4001 243.8766 -203480.0660 2439.1223 0.0000 0.0000 51787.6934 -110058.4647 297.6246 -161846.1582 -109699.2989 297.8954 -150.0777 -124.7760 761193.8152 9.2731 9.2251 LDB: ============= START OF LOAD BALANCING ============== 9367.93 LDB: ============== END OF LOAD BALANCING =============== 9367.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9367.93 LDB: ============= START OF LOAD BALANCING ============== 9368.25 LDB: Largest compute 7029 load 0.031975 is 16.3% of average load 0.196054 LDB: Average compute 0.004394 is 2.2% of average load 0.196054 LDB: TIME 9368.25 LOAD: AVG 0.196054 MAX 0.220652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.594 MB LDB: TIME 9368.25 LOAD: AVG 0.196054 MAX 0.220652 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.594 MB LDB: TIME 9368.25 LOAD: AVG 0.196054 MAX 0.214362 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.594 MB LDB: ============== END OF LOAD BALANCING =============== 9368.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9368.26 PRESSURE: 2960400 130.926 2.29029 -48.4756 2.29068 -337.011 -217.552 -48.4752 -217.553 -229.292 GPRESSURE: 2960400 185.126 -8.4598 -78.2482 9.93589 -298.258 -245.55 -34.4751 -149.139 -230.636 PRESSAVG: 2960400 31.7098 -1.5985 1.78945 -1.59852 23.0677 -39.0703 1.78948 -39.0703 0.983589 GPRESSAVG: 2960400 31.2523 0.0316898 1.03864 -2.24632 24.0645 -38.8712 0.520731 -39.2544 0.516145 TIMING: 2960400 CPU: 9356.17, 0.00321203/step Wall: 9356.17, 0.00321203/step, 1.81979 hours remaining, 239.179688 MB of memory in use. ENERGY: 2960400 3944.5345 20241.3396 14437.1480 237.8331 -203328.5094 2533.9268 0.0000 0.0000 51864.2656 -110069.4618 298.0646 -161933.7274 -109706.8834 297.9114 -145.1256 -114.5891 762168.3846 18.5870 18.6110 PRESSURE: 2960600 -173.576 220.563 -86.1503 220.562 85.3987 86.125 -86.1492 86.1244 83.8426 GPRESSURE: 2960600 -120.395 130.632 -56.3954 161.506 92.206 93.8176 -88.2094 -19.8166 108.225 PRESSAVG: 2960600 55.2115 21.5177 -7.90728 21.5177 -60.9566 1.75961 -7.90732 1.75968 -16.013 GPRESSAVG: 2960600 56.0588 20.0432 -8.47834 20.8066 -61.4433 1.24331 -7.1782 1.96541 -16.2689 TIMING: 2960600 CPU: 9356.8, 0.00313778/step Wall: 9356.8, 0.00313778/step, 1.77755 hours remaining, 239.179688 MB of memory in use. ENERGY: 2960600 4073.2834 20623.3672 14353.2112 247.6598 -204009.6245 2844.7763 0.0000 0.0000 52056.3202 -109811.0064 299.1684 -161867.3266 -109453.8904 298.1103 -1.4450 26.6788 761866.3845 -7.2527 -7.2178 PRESSURE: 2960800 30.1828 -183.137 -245.638 -183.137 -145.91 -37.7257 -245.638 -37.7267 -111.124 GPRESSURE: 2960800 49.0567 -108.456 -325.729 -148.531 -63.4528 -18.3383 -66.1413 -59.1554 -107.167 PRESSAVG: 2960800 -10.9907 13.3279 42.2683 13.328 -43.2769 -9.17875 42.2683 -9.17873 -1.35164 GPRESSAVG: 2960800 -11.9609 14.3688 44.7063 13.4201 -42.402 -10.0308 44.4947 -9.70846 -1.25277 TIMING: 2960800 CPU: 9357.43, 0.00314123/step Wall: 9357.43, 0.00314123/step, 1.77933 hours remaining, 239.179688 MB of memory in use. ENERGY: 2960800 4007.5198 20367.6685 14444.4991 240.2900 -203482.1719 2652.2096 0.0000 0.0000 52095.9989 -109673.9860 299.3964 -161769.9849 -109301.2978 298.7335 -75.6170 -40.5209 761465.2083 -18.5398 -18.5385 PRESSURE: 2961000 -297.614 -50.9629 -138.973 -50.9637 -280.91 -211.927 -138.972 -211.927 -249.942 GPRESSURE: 2961000 -173.817 -96.3363 -122.24 -85.6833 -337.269 -192.776 -148.265 -138.693 -227.168 PRESSAVG: 2961000 0.639839 42.7445 -5.75301 42.7445 -25.1075 0.474619 -5.75297 0.474555 -12.7047 GPRESSAVG: 2961000 0.561469 42.8699 -7.1481 44.283 -25.1662 1.05751 -5.93061 1.05658 -12.5384 TIMING: 2961000 CPU: 9358.06, 0.00313363/step Wall: 9358.06, 0.00313363/step, 1.77485 hours remaining, 239.179688 MB of memory in use. ENERGY: 2961000 3965.4757 20220.7150 14427.1425 235.6499 -202852.7693 2090.9363 0.0000 0.0000 51985.6911 -109927.1588 298.7625 -161912.8499 -109557.4856 298.4875 -276.1554 -246.0848 761585.9834 -12.3908 -12.3811 PRESSURE: 2961200 11.3804 -110.833 -141.297 -110.833 83.2842 -115.544 -141.298 -115.544 -9.45622 GPRESSURE: 2961200 -41.2985 -126.667 -125.278 -131.632 165.918 -67.5109 -136.578 -56.0573 54.4595 PRESSAVG: 2961200 35.2732 29.6067 -58.8978 29.6067 -7.73862 -10.097 -58.8978 -10.097 15.3558 GPRESSAVG: 2961200 35.9929 29.0905 -56.7152 30.2036 -7.50404 -10.3992 -63.1359 -10.099 14.1032 TIMING: 2961200 CPU: 9358.69, 0.0031426/step Wall: 9358.69, 0.0031426/step, 1.77976 hours remaining, 239.179688 MB of memory in use. ENERGY: 2961200 3929.0522 20319.1210 14352.0116 249.2496 -203172.1496 2511.8572 0.0000 0.0000 51947.4037 -109863.4542 298.5424 -161810.8579 -109495.3242 297.8976 28.4028 59.6928 759520.4526 14.2968 14.1974 PRESSURE: 2961400 640.5 -127.303 -18.0186 -127.301 377.388 121.27 -18.0186 121.271 -108.88 GPRESSURE: 2961400 629.138 -101.477 -101.353 -177.535 336.121 83.7054 -15.0265 17.4118 1.78832 PRESSAVG: 2961400 5.20595 -26.9845 -34.9905 -26.9845 14.9241 -26.1231 -34.9905 -26.1231 -22.1238 GPRESSAVG: 2961400 4.21958 -28.2758 -35.0414 -28.3275 14.3924 -23.6493 -33.2014 -27.1342 -21.2291 TIMING: 2961400 CPU: 9359.32, 0.00315445/step Wall: 9359.32, 0.00315445/step, 1.78629 hours remaining, 239.179688 MB of memory in use. ENERGY: 2961400 3972.0371 20603.4800 14354.8057 241.2178 -203492.2899 2630.4176 0.0000 0.0000 51778.4179 -109911.9138 297.5713 -161690.3317 -109556.9404 297.9810 303.0026 322.3491 760572.1797 -0.6646 -0.8724 PRESSURE: 2961600 -222.223 189.931 -151.67 189.932 -312.829 80.0875 -151.67 80.0875 68.2526 GPRESSURE: 2961600 -121.314 205.989 -72.0061 303.391 -332.982 41.0175 -185.285 7.01007 90.1869 PRESSAVG: 2961600 52.4827 20.2393 -18.0552 20.2393 -78.0642 22.9399 -18.0551 22.9399 -17.144 GPRESSAVG: 2961600 51.8257 20.2819 -19.6542 18.9195 -77.1966 21.6373 -18.3799 24.9604 -16.8956 TIMING: 2961600 CPU: 9359.95, 0.00315979/step Wall: 9359.95, 0.00315979/step, 1.78914 hours remaining, 239.179688 MB of memory in use. ENERGY: 2961600 4059.1577 20472.8513 14482.9133 263.6222 -202992.9215 2247.0893 0.0000 0.0000 51806.7380 -109660.5497 297.7340 -161467.2877 -109300.2502 298.5034 -155.5996 -121.3698 761763.1382 -14.2418 -14.0888 PRESSURE: 2961800 -9.69721 -2.75578 -104.225 -2.75572 -459.354 98.6385 -104.224 98.6378 -207.44 GPRESSURE: 2961800 -10.2211 -68.0023 -153.645 1.3857 -391.254 148.169 -103.227 79.8367 -203.922 PRESSAVG: 2961800 21.3168 -10.4954 -28.8818 -10.4953 -18.1382 -32.1761 -28.8818 -32.176 10.7455 GPRESSAVG: 2961800 21.6656 -9.49705 -28.4203 -9.53489 -17.5397 -32.8505 -28.2658 -33.7975 9.53679 TIMING: 2961800 CPU: 9360.59, 0.00319057/step Wall: 9360.59, 0.00319057/step, 1.80639 hours remaining, 239.179688 MB of memory in use. ENERGY: 2961800 4026.6727 20410.4222 14393.4377 241.2871 -203350.6903 2485.4227 0.0000 0.0000 52171.0851 -109622.3628 299.8279 -161793.4479 -109264.5125 299.0078 -225.4971 -201.7990 762360.6835 4.6414 4.5542 PRESSURE: 2962000 -64.3549 -160.372 307.945 -160.372 127.123 117.446 307.945 117.445 16.8452 GPRESSURE: 2962000 27.6854 -222.256 311.125 -90.9848 130.659 73.5444 219.562 83.6001 14.5921 PRESSAVG: 2962000 26.0327 -29.1561 -4.55678 -29.1561 -63.6069 -50.2713 -4.55674 -50.2713 8.96521 GPRESSAVG: 2962000 26.8286 -30.2366 -5.2823 -29.1657 -64.0713 -50.4573 -4.61266 -49.942 8.64218 TIMING: 2962000 CPU: 9361.22, 0.0031689/step Wall: 9361.22, 0.0031689/step, 1.79395 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2962000 3917.9812 20335.9269 14370.3756 225.6292 -203371.7174 2600.4883 0.0000 0.0000 52117.9591 -109803.3569 299.5226 -161921.3161 -109439.7618 298.5453 26.5378 57.6455 760660.6687 -9.5363 -9.5335 PRESSURE: 2962200 315.697 -86.1708 198.803 -86.1711 153.871 -300.825 198.803 -300.825 199.897 GPRESSURE: 2962200 336.585 22.0993 146.491 -9.44036 245.114 -356.639 206.827 -220.166 193.221 PRESSAVG: 2962200 84.4375 13.9949 34.6685 13.9949 -9.26748 60.5407 34.6685 60.5407 -24.5212 GPRESSAVG: 2962200 85.0982 15.0213 34.6949 14.9046 -9.90263 60.0081 36.4078 60.2936 -24.2277 TIMING: 2962200 CPU: 9361.84, 0.00312157/step Wall: 9361.84, 0.00312157/step, 1.76698 hours remaining, 239.179688 MB of memory in use. ENERGY: 2962200 3973.8588 20327.2703 14412.6135 236.4121 -203396.4231 2721.0126 0.0000 0.0000 51753.6762 -109971.5797 297.4291 -161725.2559 -109615.4372 298.0872 223.1551 258.3065 761697.2459 16.8830 16.9893 PRESSURE: 2962400 -67.3568 88.4795 -94.0577 88.4801 136.325 -89.512 -94.0587 -89.5125 -14.2054 GPRESSURE: 2962400 -56.743 -11.9846 44.2341 14.1739 157.209 -84.7608 -129.48 -42.2501 24.8699 PRESSAVG: 2962400 11.1983 18.3614 32.3054 18.3615 -20.4038 14.8867 32.3054 14.8866 -4.90533 GPRESSAVG: 2962400 9.16423 18.9246 32.1367 17.366 -19.7732 15.8679 32.1736 15.2656 -4.02011 TIMING: 2962400 CPU: 9362.47, 0.00314068/step Wall: 9362.47, 0.00314068/step, 1.77763 hours remaining, 239.179688 MB of memory in use. ENERGY: 2962400 4013.0469 20536.6417 14372.8627 234.3517 -203367.9844 2664.5332 0.0000 0.0000 51806.0642 -109740.4840 297.7302 -161546.5482 -109392.9188 298.1488 18.2542 41.7786 761629.2173 -4.7036 -4.8764 PRESSURE: 2962600 -458.349 -48.3802 -359.3 -48.3796 -172.369 58.8005 -359.3 58.8016 -70.5399 GPRESSURE: 2962600 -381.917 0.475171 -463.531 -69.7892 -167.644 49.7004 -361.737 131.521 -54.0971 PRESSAVG: 2962600 4.22183 34.3745 -30.2071 34.3745 -26.9955 -66.416 -30.2071 -66.416 -14.027 GPRESSAVG: 2962600 5.37997 34.1465 -29.3957 34.2919 -27.9792 -66.8219 -30.2396 -65.0637 -14.0906 TIMING: 2962600 CPU: 9363.1, 0.00313936/step Wall: 9363.1, 0.00313936/step, 1.7767 hours remaining, 239.179688 MB of memory in use. ENERGY: 2962600 3971.0738 20418.1250 14417.2210 245.0564 -203186.9584 2613.2797 0.0000 0.0000 51681.1142 -109841.0884 297.0121 -161522.2025 -109488.4448 298.3321 -233.7526 -201.2194 763711.4004 -12.2669 -12.2300 PRESSURE: 2962800 -666.999 129.15 133.166 129.149 -7.35813 348.373 133.166 348.373 45.0877 GPRESSURE: 2962800 -561.711 80.2986 146.492 122.415 -19.5606 329.995 -27.9476 298.735 12.1768 PRESSAVG: 2962800 0.0815526 -4.24727 -63.2554 -4.24727 -11.8594 31.8275 -63.2554 31.8275 -25.2154 GPRESSAVG: 2962800 0.673836 -4.94262 -63.9258 -4.04946 -11.2683 33.1519 -67.1135 29.2261 -26.278 TIMING: 2962800 CPU: 9363.73, 0.0031703/step Wall: 9363.73, 0.0031703/step, 1.79403 hours remaining, 239.179688 MB of memory in use. ENERGY: 2962800 3947.6686 20348.0285 14375.3633 242.9985 -203235.6951 2394.4880 0.0000 0.0000 51941.3033 -109985.8448 298.5074 -161927.1482 -109618.4369 297.6923 -209.7566 -189.6982 763487.8636 -12.3311 -12.2908 PRESSURE: 2963000 304.133 -25.073 -59.7787 -25.0723 -480.485 139.301 -59.7785 139.301 101.782 GPRESSURE: 2963000 164.822 18.4061 -127.743 74.5845 -405.93 75.6885 41.7488 123.054 223.531 PRESSAVG: 2963000 22.104 -21.3885 31.6994 -21.3885 -11.5862 16.437 31.6994 16.437 4.70313 GPRESSAVG: 2963000 20.8388 -20.4369 31.7996 -21.2884 -11.1387 15.7545 32.9854 18.3581 5.33455 TIMING: 2963000 CPU: 9364.36, 0.00314699/step Wall: 9364.36, 0.00314699/step, 1.78067 hours remaining, 239.179688 MB of memory in use. ENERGY: 2963000 3958.1508 20301.6270 14346.8560 219.8224 -203079.6909 2511.7041 0.0000 0.0000 51812.0477 -109929.4830 297.7646 -161741.5307 -109570.8779 297.8948 -24.8566 -5.8590 762755.2592 5.0736 5.0115 PRESSURE: 2963200 -386.192 2.11429 -35.4276 2.11462 52.3013 -388.459 -35.427 -388.458 -235.871 GPRESSURE: 2963200 -277.7 -94.6532 -59.8431 4.14659 59.8249 -320.433 45.6368 -251.591 -263.552 PRESSAVG: 2963200 -41.4903 -36.3544 10.1158 -36.3544 39.2783 -48.631 10.1158 -48.6311 14.2234 GPRESSAVG: 2963200 -41.1022 -37.95 10.0831 -35.7627 39.5475 -49.1907 13.2119 -47.7933 13.9431 TIMING: 2963200 CPU: 9365, 0.00318386/step Wall: 9365, 0.00318386/step, 1.80136 hours remaining, 239.179688 MB of memory in use. ENERGY: 2963200 3998.3013 20293.6766 14385.6691 256.4949 -202886.1807 2407.2791 0.0000 0.0000 51686.9679 -109857.7918 297.0457 -161544.7597 -109514.9371 297.5976 -189.9205 -160.4759 764176.5130 4.0038 4.1294 PRESSURE: 2963400 214.202 67.6415 79.0702 67.6414 -253.773 116.821 79.0705 116.822 -266.2 GPRESSURE: 2963400 192.092 27.7721 70.6099 75.6724 -132.624 46.0101 113.104 22.2816 -291.491 PRESSAVG: 2963400 12.9406 12.5432 -10.6164 12.5432 -21.4835 -47.371 -10.6164 -47.3711 7.02243 GPRESSAVG: 2963400 12.5994 10.4863 -8.76422 12.9226 -21.8285 -46.5659 -12.5586 -49.8637 6.8562 TIMING: 2963400 CPU: 9365.63, 0.00315416/step Wall: 9365.63, 0.00315416/step, 1.78438 hours remaining, 239.179688 MB of memory in use. ENERGY: 2963400 3972.9198 20471.6858 14408.8548 255.8781 -203426.2700 2860.5924 0.0000 0.0000 51592.7691 -109863.5700 296.5044 -161456.3391 -109505.4842 298.0639 -101.9237 -77.3412 762862.9094 -0.5068 -0.7910 PRESSURE: 2963600 -76.4 -187.905 -118.507 -187.905 -182.852 140.3 -118.506 140.301 -13.7012 GPRESSURE: 2963600 -105.301 -85.4319 -122.366 -158.093 -178.651 253.619 -118.013 122.367 75.8777 PRESSAVG: 2963600 17.742 23.257 -31.5335 23.257 -24.9865 20.5048 -31.5335 20.5047 17.6197 GPRESSAVG: 2963600 17.6293 24.8453 -32.3002 22.7789 -25.8238 19.9065 -31.8653 20.767 18.3662 TIMING: 2963600 CPU: 9366.27, 0.00317283/step Wall: 9366.27, 0.00317283/step, 1.79477 hours remaining, 239.179688 MB of memory in use. ENERGY: 2963600 3972.2157 20446.0186 14379.1355 251.2795 -203623.2350 2687.9687 0.0000 0.0000 51987.3611 -109899.2557 298.7721 -161886.6168 -109531.4872 298.2595 -90.9843 -69.3583 763031.4382 3.4584 3.3906 PRESSURE: 2963800 23.2443 80.5259 -174.425 80.5258 -382.849 -28.94 -174.424 -28.9396 -353.9 GPRESSURE: 2963800 37.8816 -5.33943 -122.681 131.607 -334.996 -53.3131 -204.703 70.3207 -321.588 PRESSAVG: 2963800 45.5324 -62.3623 -1.02 -62.3623 -13.8899 31.1987 -1.02003 31.1988 -11.3182 GPRESSAVG: 2963800 46.1671 -61.2338 -3.53442 -62.3359 -12.9571 32.6447 -0.727915 30.8711 -12.4004 TIMING: 2963800 CPU: 9366.9, 0.0031698/step Wall: 9366.9, 0.0031698/step, 1.79287 hours remaining, 239.179688 MB of memory in use. ENERGY: 2963800 4001.5958 20415.2493 14416.4564 266.3992 -202947.7270 2239.0753 0.0000 0.0000 51723.1382 -109885.8127 297.2536 -161608.9509 -109517.5333 298.0442 -237.8350 -206.2342 762956.9000 6.7748 6.9365 PRESSURE: 2964000 -52.9241 50.9456 182.293 50.9461 -134.52 -83.4249 182.293 -83.4244 -322.746 GPRESSURE: 2964000 -76.5693 158.243 145.951 64.4355 -124.047 -122.155 155.692 -1.50862 -248.016 PRESSAVG: 2964000 10.3196 -53.296 -3.26745 -53.2959 -23.246 -12.8103 -3.26743 -12.8104 -3.78114 GPRESSAVG: 2964000 10.8317 -51.1757 -1.81722 -55.2944 -24.4208 -12.8293 -4.41246 -11.5121 -3.54814 TIMING: 2964000 CPU: 9367.54, 0.00319108/step Wall: 9367.54, 0.00319108/step, 1.80473 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2964000 4030.5360 20392.9245 14399.8212 248.5232 -203020.8222 2377.2866 0.0000 0.0000 51853.2892 -109718.4415 298.0016 -161571.7307 -109365.2266 298.6331 -170.0636 -149.5442 762236.1103 -5.5692 -5.7124 PRESSURE: 2964200 -189.449 -117.428 28.6225 -117.427 -249.022 -24.7454 28.6238 -24.7454 -151.601 GPRESSURE: 2964200 -94.9497 -94.9463 -16.9158 -122.288 -279.532 6.14577 28.0574 6.53416 -143.017 PRESSAVG: 2964200 16.1901 -43.083 20.0136 -43.0831 -68.1997 -29.0504 20.0136 -29.0504 12.1705 GPRESSAVG: 2964200 15.1635 -44.2714 21.0698 -41.0842 -69.5906 -29.2211 19.8132 -30.6088 14.6189 TIMING: 2964200 CPU: 9368.17, 0.0031597/step Wall: 9368.17, 0.0031597/step, 1.78681 hours remaining, 239.179688 MB of memory in use. ENERGY: 2964200 3996.9806 20481.8748 14400.2672 249.3036 -203165.6773 2474.8792 0.0000 0.0000 51887.5965 -109674.7754 298.1987 -161562.3719 -109308.3097 298.7802 -196.6908 -172.4994 763920.0765 -13.2797 -13.2694 LDB: ============= START OF LOAD BALANCING ============== 9380.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9380.57 LDB: =============== DONE WITH MIGRATION ================ 9380.57 LDB: ============= START OF LOAD BALANCING ============== 9380.89 LDB: Largest compute 7028 load 0.031471 is 16.1% of average load 0.195911 LDB: Average compute 0.004418 is 2.3% of average load 0.195911 LDB: TIME 9380.89 LOAD: AVG 0.195911 MAX 0.214768 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.727 MB LDB: TIME 9380.9 LOAD: AVG 0.195911 MAX 0.214768 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.766 MB LDB: TIME 9380.9 LOAD: AVG 0.195911 MAX 0.214768 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.766 MB LDB: ============== END OF LOAD BALANCING =============== 9380.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9380.9 PRESSURE: 2964400 -171.148 -40.8407 84.2727 -40.8404 -110.234 -29.1795 84.2731 -29.18 -334.554 GPRESSURE: 2964400 -94.1784 -100.47 68.014 -7.27507 -76.4367 15.4401 22.2108 -0.253058 -366.02 PRESSAVG: 2964400 51.8491 -12.8865 11.0468 -12.8865 -64.1688 4.4133 11.0467 4.41319 3.29541 GPRESSAVG: 2964400 52.4299 -13.9871 9.88658 -12.6577 -62.4164 3.88337 12.1679 7.96587 1.02414 TIMING: 2964400 CPU: 9368.82, 0.00324563/step Wall: 9368.82, 0.00324563/step, 1.83522 hours remaining, 240.785156 MB of memory in use. ENERGY: 2964400 3987.7564 20488.7612 14366.6718 259.3358 -203004.2069 2339.3791 0.0000 0.0000 52124.6180 -109437.6846 299.5609 -161562.3027 -109072.7602 299.3004 -205.3121 -178.8784 762919.6148 -3.0081 -2.9875 PRESSURE: 2964600 301.164 85.1382 10.1921 85.1382 312.324 32.0515 10.1921 32.0518 286.857 GPRESSURE: 2964600 300.485 52.1093 -10.4408 123.109 397.064 134.586 106.445 -55.5269 257.236 PRESSAVG: 2964600 35.5361 -39.9236 9.12815 -39.9236 -2.13367 25.9719 9.12814 25.9719 -4.76435 GPRESSAVG: 2964600 34.9481 -39.7725 10.6278 -40.9084 -1.78516 25.6263 8.50394 21.3395 -4.2972 TIMING: 2964600 CPU: 9369.45, 0.00316631/step Wall: 9369.45, 0.00316631/step, 1.7902 hours remaining, 240.785156 MB of memory in use. ENERGY: 2964600 3977.5230 20489.0542 14365.0765 253.1886 -203328.0341 2724.8132 0.0000 0.0000 52208.3080 -109310.0707 300.0419 -161518.3787 -108962.1370 299.2476 300.1147 318.2616 759654.8831 9.5460 9.6219 PRESSURE: 2964800 -27.321 -125.901 142.983 -125.901 166.263 25.4811 142.983 25.4812 -45.7793 GPRESSURE: 2964800 -10.1901 -90.7212 133.552 -153.205 200.115 -22.139 100.163 22.1898 -15.1834 PRESSAVG: 2964800 -10.6899 -14.5763 38.9608 -14.5762 -32.8122 -11.2974 38.9608 -11.2974 -7.93856 GPRESSAVG: 2964800 -10.4837 -12.7396 38.5445 -16.0094 -33.918 -12.1874 40.5679 -8.14162 -7.73474 TIMING: 2964800 CPU: 9370.08, 0.0031509/step Wall: 9370.08, 0.0031509/step, 1.78131 hours remaining, 240.785156 MB of memory in use. ENERGY: 2964800 3934.5025 20422.3695 14422.3003 242.9171 -202789.5860 2429.1475 0.0000 0.0000 52056.9194 -109281.4296 299.1718 -161338.3490 -108916.4122 299.9030 31.0541 58.2471 762497.8453 -17.1469 -17.3788 PRESSURE: 2965000 49.9181 20.9663 -0.895524 20.9666 -52.0776 -36.9258 -0.895385 -36.9254 289.617 GPRESSURE: 2965000 112.795 19.6632 -115.257 71.8738 -9.71646 -5.08191 -2.68286 3.58474 284.249 PRESSAVG: 2965000 19.8979 -45.5531 13.4624 -45.5531 -11.3369 -41.2669 13.4624 -41.2669 -16.7639 GPRESSAVG: 2965000 19.3943 -47.813 12.2133 -42.7427 -9.98598 -40.9447 13.3524 -42.2362 -17.7254 TIMING: 2965000 CPU: 9370.71, 0.00312829/step Wall: 9370.71, 0.00312829/step, 1.76835 hours remaining, 240.785156 MB of memory in use. ENERGY: 2965000 3970.3528 20435.2962 14478.7104 259.3218 -203169.8606 2521.5710 0.0000 0.0000 52205.8603 -109298.7480 300.0278 -161504.6084 -108927.5739 299.9927 95.8193 129.1091 760797.0529 -2.7343 -2.7724 PRESSURE: 2965200 -82.7399 -100.527 -405.637 -100.527 -161.005 -199.567 -405.638 -199.567 -178.076 GPRESSURE: 2965200 -68.3109 -44.0782 -389.379 -102.057 -83.6547 -240.451 -331.367 -176.3 -191.215 PRESSAVG: 2965200 -50.8608 -13.7837 33.4432 -13.7837 38.2313 2.09167 33.4433 2.09164 7.52517 GPRESSAVG: 2965200 -50.6433 -13.9743 34.8225 -15.8826 38.9151 2.02241 31.4972 1.63719 6.938 TIMING: 2965200 CPU: 9371.34, 0.00315116/step Wall: 9371.34, 0.00315116/step, 1.78111 hours remaining, 240.785156 MB of memory in use. ENERGY: 2965200 3994.9644 20378.7223 14462.4805 233.7670 -203320.8624 2613.1093 0.0000 0.0000 52422.0333 -109215.7857 301.2701 -161637.8190 -108854.7729 299.7245 -140.6070 -114.3935 762251.1676 -1.7015 -1.5967 PRESSURE: 2965400 325.188 2.582 44.4552 2.58198 463.967 -67.4589 44.4557 -67.4587 -284.49 GPRESSURE: 2965400 355.529 2.47995 100.984 65.3568 462.827 -39.684 48.888 -10.2213 -247.841 PRESSAVG: 2965400 59.6052 -26.3982 40.2562 -26.3982 28.1544 -92.3551 40.2562 -92.3552 -9.23813 GPRESSAVG: 2965400 59.5201 -26.6307 39.8766 -25.1428 26.7029 -92.9575 41.6174 -91.7393 -7.77975 TIMING: 2965400 CPU: 9371.97, 0.00314874/step Wall: 9371.97, 0.00314874/step, 1.77957 hours remaining, 240.785156 MB of memory in use. ENERGY: 2965400 3998.3368 20466.2057 14443.2979 238.0772 -203385.3118 2705.8441 0.0000 0.0000 52127.7383 -109405.8117 299.5788 -161533.5500 -109049.8963 299.8161 168.2219 190.1718 760990.1625 26.1738 26.1478 PRESSURE: 2965600 -297.032 -68.0006 186.283 -68.0006 -194.369 -9.18828 186.284 -9.18669 -730.742 GPRESSURE: 2965600 -306.821 -87.0163 139.032 -182.168 -167.264 32.2668 173.849 -54.8077 -684.737 PRESSAVG: 2965600 41.0386 -4.91684 32.0447 -4.91682 -37.8003 19.3364 32.0447 19.3364 -13.2381 GPRESSAVG: 2965600 40.735 -4.72567 33.7233 -4.87949 -36.5033 20.4971 30.4049 18.9572 -14.0812 TIMING: 2965600 CPU: 9372.6, 0.00315958/step Wall: 9372.6, 0.00315958/step, 1.78551 hours remaining, 240.785156 MB of memory in use. ENERGY: 2965600 3989.7799 20663.0632 14432.1550 239.7490 -202627.6568 2132.1672 0.0000 0.0000 52093.5424 -109077.2000 299.3823 -161170.7424 -108711.0172 299.8742 -407.3812 -386.2738 764187.1137 -3.3333 -3.2832 PRESSURE: 2965800 -197.153 35.0719 -118.663 35.0724 -43.0167 13.6617 -118.662 13.6623 266.708 GPRESSURE: 2965800 -129.149 -70.7793 -118.762 -52.4704 -8.40992 135.531 26.3325 17.1497 253.839 PRESSAVG: 2965800 -30.2582 24.4595 -0.280911 24.4595 -17.1404 41.0791 -0.280941 41.0792 24.6226 GPRESSAVG: 2965800 -29.9179 24.433 -2.23441 23.4889 -17.1588 40.3366 0.870518 42.6327 24.5595 TIMING: 2965800 CPU: 9373.23, 0.00315383/step Wall: 9373.23, 0.00315383/step, 1.78209 hours remaining, 240.785156 MB of memory in use. ENERGY: 2965800 3980.2000 20413.4311 14429.2569 247.0380 -202617.0541 2190.7394 0.0000 0.0000 52161.7607 -109194.6281 299.7744 -161356.3888 -108828.9431 300.2878 8.8459 38.7600 761991.2904 -7.5920 -7.5057 PRESSURE: 2966000 127.483 322.078 61.59 322.078 -216.234 -235.681 61.59 -235.681 -296.627 GPRESSURE: 2966000 78.7633 342.376 83.46 301.651 -165.129 -170.517 53.08 -316.766 -217.89 PRESSAVG: 2966000 15.4204 3.9083 -47.403 3.90828 59.5241 18.9449 -47.403 18.945 -13.0648 GPRESSAVG: 2966000 15.3715 1.5689 -46.9558 6.07408 58.8107 20.0159 -47.4579 16.9522 -12.6296 TIMING: 2966000 CPU: 9373.86, 0.00314747/step Wall: 9373.86, 0.00314747/step, 1.77832 hours remaining, 240.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2966000 3980.6156 20395.7694 14391.3109 252.6100 -202952.2990 2508.1755 0.0000 0.0000 52012.1878 -109411.6299 298.9148 -161423.8176 -109048.9953 299.3572 -128.4593 -101.4186 760767.6615 20.6266 20.5175 PRESSURE: 2966200 -233.276 -145.701 16.1767 -145.7 -427.144 34.2379 16.1765 34.2376 -188.734 GPRESSURE: 2966200 -229.352 -128.821 29.4273 -65.5516 -380.036 -55.7801 -19.9214 58.8634 -157.704 PRESSAVG: 2966200 5.84432 -48.6885 -33.6169 -48.6885 17.2656 -84.2156 -33.6169 -84.2155 -2.64262 GPRESSAVG: 2966200 4.43059 -45.2686 -33.1532 -49.973 18.3133 -85.8642 -36.3848 -81.7344 -2.15116 TIMING: 2966200 CPU: 9374.49, 0.00316913/step Wall: 9374.49, 0.00316913/step, 1.79038 hours remaining, 240.785156 MB of memory in use. ENERGY: 2966200 4002.5454 20445.7123 14490.2136 251.6788 -203161.4066 2501.9224 0.0000 0.0000 51984.9276 -109484.4065 298.7581 -161469.3341 -109121.4149 299.5843 -283.0513 -255.6973 761479.7790 6.8224 6.8642 PRESSURE: 2966400 -113.349 115.935 131.711 115.935 43.8749 93.3647 131.71 93.3634 -176.021 GPRESSURE: 2966400 0.749595 96.4313 50.7316 127.692 21.9552 189.828 251.749 135.971 -170.422 PRESSAVG: 2966400 6.65575 -44.4917 -10.1477 -44.4917 17.6588 -5.43776 -10.1478 -5.43775 25.1721 GPRESSAVG: 2966400 9.59313 -45.0441 -11.095 -44.7999 15.9012 -4.76229 -8.14482 -5.15473 23.9095 TIMING: 2966400 CPU: 9375.12, 0.00315155/step Wall: 9375.12, 0.00315155/step, 1.78027 hours remaining, 240.785156 MB of memory in use. ENERGY: 2966400 3983.5563 20404.6863 14511.4060 234.6811 -202979.2599 2432.7809 0.0000 0.0000 51972.6027 -109439.5466 298.6873 -161412.1493 -109094.9335 298.9754 -81.8316 -49.2391 761053.2334 16.4956 16.4679 PRESSURE: 2966600 297.672 -155.623 -199.492 -155.624 67.7138 127.516 -199.492 127.516 206.223 GPRESSURE: 2966600 374.552 -276.419 -208.611 -131.231 112.917 110.655 -206.941 13.6826 167.444 PRESSAVG: 2966600 30.5488 -42.2318 -59.3902 -42.2318 -35.5491 -38.3611 -59.3902 -38.3612 19.405 GPRESSAVG: 2966600 29.6304 -44.5884 -59.0104 -41.8126 -33.4544 -36.6109 -58.7581 -41.5855 18.1286 TIMING: 2966600 CPU: 9375.76, 0.0032004/step Wall: 9375.76, 0.0032004/step, 1.80769 hours remaining, 240.785156 MB of memory in use. ENERGY: 2966600 3904.8058 20459.9034 14452.1380 260.7652 -203250.2795 2745.4114 0.0000 0.0000 52108.2172 -109319.0386 299.4666 -161427.2557 -108960.1276 299.0723 190.5363 218.3045 762678.5529 4.8016 4.7682 PRESSURE: 2966800 348.928 -124.287 197.787 -124.288 234.962 -48.117 197.787 -48.116 514.085 GPRESSURE: 2966800 383.812 -85.7951 236.231 -129.269 330.142 24.0623 77.6373 -73.8581 463.053 PRESSAVG: 2966800 29.4894 -50.6562 -25.5586 -50.6562 -45.1894 -7.29698 -25.5586 -7.297 -17.1251 GPRESSAVG: 2966800 28.3026 -47.761 -25.7521 -52.7865 -45.8427 -9.05556 -26.3965 -5.45202 -15.1807 TIMING: 2966800 CPU: 9376.4, 0.00316479/step Wall: 9376.4, 0.00316479/step, 1.7874 hours remaining, 240.785156 MB of memory in use. ENERGY: 2966800 3989.5972 20404.3842 14436.5120 250.8129 -202978.9009 2511.3377 0.0000 0.0000 52295.0313 -109091.2256 300.5403 -161386.2569 -108731.1385 299.6124 365.9917 392.3358 762429.2639 -10.9417 -10.9070 PRESSURE: 2967000 -187.382 182.557 -33.0268 182.556 -12.7741 212.588 -33.0262 212.588 240.247 GPRESSURE: 2967000 -156.007 150.35 82.0029 243.756 35.0512 140.261 -54.8047 188.528 238.215 PRESSAVG: 2967000 11.1945 7.41934 -5.66984 7.41934 -25.1908 -11.9381 -5.66983 -11.9381 -3.14653 GPRESSAVG: 2967000 12.1142 7.45364 -5.99277 7.98945 -26.8215 -10.127 -5.02816 -12.2894 -2.71756 TIMING: 2967000 CPU: 9377.03, 0.00318389/step Wall: 9377.03, 0.00318389/step, 1.79802 hours remaining, 240.785156 MB of memory in use. ENERGY: 2967000 4018.9577 20447.6261 14433.5134 266.8998 -202993.5260 2371.6767 0.0000 0.0000 52129.2769 -109325.5753 299.5877 -161454.8522 -108962.3148 299.7501 13.3636 39.0866 762286.7872 -5.7143 -5.8083 PRESSURE: 2967200 -144.192 -75.1175 -56.5855 -75.117 446.843 65.9535 -56.5844 65.9533 171.708 GPRESSURE: 2967200 -5.50367 -48.5859 -84.1789 -7.28149 369.774 70.0195 -131.105 -72.3711 190.425 PRESSAVG: 2967200 34.2962 19.3985 -20.1548 19.3986 -58.1223 -29.0321 -20.1548 -29.032 10.8291 GPRESSAVG: 2967200 34.774 18.63 -20.4931 20.9839 -57.8046 -28.6077 -19.6394 -29.1469 10.3683 TIMING: 2967200 CPU: 9377.67, 0.00319942/step Wall: 9377.67, 0.00319942/step, 1.8066 hours remaining, 240.785156 MB of memory in use. ENERGY: 2967200 4003.6234 20358.4963 14448.4899 228.3668 -202982.3337 2559.3550 0.0000 0.0000 52153.4268 -109230.5756 299.7265 -161384.0024 -108867.2425 299.8368 158.1196 184.8986 761484.8563 -4.3323 -4.2208 PRESSURE: 2967400 -35.4288 -113.333 -32.8319 -113.332 -366.554 -135.819 -32.8319 -135.819 -242.957 GPRESSURE: 2967400 -58.9959 -42.5411 -52.1311 -90.4293 -207.391 -151.748 -155.297 -35.7555 -298.719 PRESSAVG: 2967400 -7.93273 -98.1917 12.0273 -98.1917 16.9105 18.4116 12.0273 18.4116 -6.14511 GPRESSAVG: 2967400 -9.78439 -97.0336 12.1796 -97.6646 18.2955 16.2308 13.9001 17.8591 -5.78084 TIMING: 2967400 CPU: 9378.31, 0.00316634/step Wall: 9378.31, 0.00316634/step, 1.78775 hours remaining, 240.785156 MB of memory in use. ENERGY: 2967400 4001.2112 20493.5508 14406.7554 233.5469 -202743.3159 2238.1094 0.0000 0.0000 52076.5054 -109293.6367 299.2844 -161370.1421 -108930.0151 299.8574 -214.9799 -188.3686 761967.7595 0.9442 0.9101 PRESSURE: 2967600 324.231 35.5074 235.791 35.5081 72.2513 -41.9915 235.792 -41.9906 335.231 GPRESSURE: 2967600 326.599 -98.7505 254.243 -51.6364 74.1962 58.3489 108.666 -105.007 409.147 PRESSAVG: 2967600 42.2021 -34.5667 -3.71247 -34.5666 -26.6867 28.2607 -3.71247 28.2606 4.66818 GPRESSAVG: 2967600 41.9364 -36.7638 -4.05074 -33.7761 -27.7177 28.3649 -6.17095 28.3281 6.46179 TIMING: 2967600 CPU: 9378.94, 0.00318369/step Wall: 9378.94, 0.00318369/step, 1.79737 hours remaining, 240.785156 MB of memory in use. ENERGY: 2967600 3946.4279 20430.9263 14445.0158 240.0034 -203113.2535 2403.3583 0.0000 0.0000 52113.6117 -109533.9100 299.4976 -161647.5216 -109163.0667 299.3898 243.9042 269.9806 760799.6184 6.7279 6.8935 PRESSURE: 2967800 304.66 -76.5441 169.505 -76.544 -312.189 -61.8239 169.505 -61.824 -253.07 GPRESSURE: 2967800 300.037 -80.7923 89.4028 -78.9796 -221.823 -63.1662 233.439 -28.2494 -255.743 PRESSAVG: 2967800 37.957 -61.7608 -12.3251 -61.7608 -34.0762 -5.55611 -12.325 -5.55614 -9.2366 GPRESSAVG: 2967800 38.2461 -60.0394 -12.5191 -63.2623 -33.06 -3.99429 -10.9083 -7.34179 -10.6369 TIMING: 2967800 CPU: 9379.58, 0.0031595/step Wall: 9379.58, 0.0031595/step, 1.78354 hours remaining, 240.785156 MB of memory in use. ENERGY: 2967800 3936.1639 20693.5889 14356.0130 270.8341 -203655.6881 2539.8384 0.0000 0.0000 52305.4793 -109553.7705 300.6003 -161859.2498 -109195.1416 299.3595 -86.8664 -59.1765 761243.0757 -1.7853 -1.8169 PRESSURE: 2968000 -4.71803 94.8256 74.7299 94.8265 172.795 149.624 74.7286 149.623 -102.025 GPRESSURE: 2968000 27.5634 36.6425 -41.1959 126.92 217.057 223.593 236.846 169.124 -103.673 PRESSAVG: 2968000 18.0466 -8.45327 -53.201 -8.45326 3.79666 -19.2866 -53.201 -19.2867 18.9305 GPRESSAVG: 2968000 18.3925 -7.80374 -53.1561 -8.03446 2.8207 -19.5204 -54.4716 -17.5656 19.772 TIMING: 2968000 CPU: 9380.21, 0.00316084/step Wall: 9380.21, 0.00316084/step, 1.78412 hours remaining, 240.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2968000 3908.4220 20438.7996 14422.0495 266.8739 -203318.3817 2587.6759 0.0000 0.0000 51912.9173 -109781.6435 298.3442 -161694.5608 -109429.6451 299.2413 22.0173 46.9827 761785.8933 13.5913 13.6617 PRESSURE: 2968200 -131.867 189.807 -142.781 189.808 -161.808 71.526 -142.781 71.5259 -136.632 GPRESSURE: 2968200 -19.2225 166.508 -106.257 134.633 -174.768 -28.1506 -139.801 -6.09677 -166.039 PRESSAVG: 2968200 13.5898 11.5734 -34.1081 11.5734 -22.5652 11.3933 -34.1081 11.3932 -3.17611 GPRESSAVG: 2968200 15.7345 10.2019 -33.2592 12.0554 -22.4561 10.5813 -33.1334 11.9906 -5.56948 TIMING: 2968200 CPU: 9380.84, 0.00315813/step Wall: 9380.84, 0.00315813/step, 1.78241 hours remaining, 240.785156 MB of memory in use. ENERGY: 2968200 3992.3091 20487.8793 14392.8259 258.1717 -203301.0186 2407.3166 0.0000 0.0000 51857.3488 -109905.1671 298.0249 -161762.5159 -109551.9741 299.0183 -143.4359 -120.0099 762770.8875 -4.0505 -4.0970 LDB: ============= START OF LOAD BALANCING ============== 9393.24 LDB: ============== END OF LOAD BALANCING =============== 9393.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9393.24 LDB: ============= START OF LOAD BALANCING ============== 9393.56 LDB: Largest compute 7068 load 0.031737 is 16.2% of average load 0.196042 LDB: Average compute 0.004381 is 2.2% of average load 0.196042 LDB: TIME 9393.57 LOAD: AVG 0.196042 MAX 0.21564 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.289 MB LDB: TIME 9393.57 LOAD: AVG 0.196042 MAX 0.21564 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.289 MB LDB: TIME 9393.57 LOAD: AVG 0.196042 MAX 0.21564 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.289 MB LDB: ============== END OF LOAD BALANCING =============== 9393.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9393.57 PRESSURE: 2968400 -329.636 -179.165 45.367 -179.165 -567.058 147.904 45.3665 147.905 -82.4403 GPRESSURE: 2968400 -241.817 -108.607 30.9817 -75.5297 -564.132 153.592 45.091 144.121 -86.6473 PRESSAVG: 2968400 57.5453 16.9187 -0.121596 16.9186 -87.8372 18.3104 -0.12156 18.3104 -5.80385 GPRESSAVG: 2968400 57.4894 17.6996 -0.967898 18.3422 -88.0161 18.3167 -0.793024 18.6071 -5.2151 TIMING: 2968400 CPU: 9381.49, 0.00325286/step Wall: 9381.49, 0.00325286/step, 1.8357 hours remaining, 239.125000 MB of memory in use. ENERGY: 2968400 3963.1349 20461.0527 14310.4418 230.7829 -203048.1463 2253.0853 0.0000 0.0000 51923.6019 -109906.0469 298.4057 -161829.6488 -109546.1031 297.9412 -326.3780 -297.5321 761723.3651 -12.0319 -11.9139 PRESSURE: 2968600 229.791 -65.5662 79.3848 -65.566 422.721 -221.723 79.3853 -221.724 86.1058 GPRESSURE: 2968600 240.673 -176.198 140.549 -87.8708 469.703 -253.902 34.6828 -137.672 132.348 PRESSAVG: 2968600 -14.6871 1.61982 -27.6959 1.61974 14.2833 -37.8147 -27.6959 -37.8147 3.11086 GPRESSAVG: 2968600 -16.0308 -0.29401 -26.9602 0.733195 15.0895 -36.131 -27.4681 -39.7869 3.94003 TIMING: 2968600 CPU: 9382.12, 0.00313463/step Wall: 9382.12, 0.00313463/step, 1.7688 hours remaining, 239.328125 MB of memory in use. ENERGY: 2968600 4023.0841 20466.1853 14469.5439 245.5640 -203581.0881 2721.0392 0.0000 0.0000 51700.3021 -109955.3694 297.1223 -161655.6715 -109598.4194 298.3381 246.2062 280.9079 759933.8986 0.9024 0.9996 PRESSURE: 2968800 -152.108 68.0565 126.305 68.0569 -60.1639 214.084 126.304 214.084 -10.3666 GPRESSURE: 2968800 -122.336 88.2254 89.5624 148.716 16.0688 230.24 23.0151 74.639 -38.3917 PRESSAVG: 2968800 66.1782 -13.6283 -27.3829 -13.6283 -37.061 16.9473 -27.3829 16.9474 28.6568 GPRESSAVG: 2968800 66.0867 -13.7931 -28.6029 -13.7629 -37.9285 14.6296 -27.5656 18.1974 29.4131 TIMING: 2968800 CPU: 9382.74, 0.00313551/step Wall: 9382.74, 0.00313551/step, 1.76913 hours remaining, 239.328125 MB of memory in use. ENERGY: 2968800 4023.4924 20350.3541 14404.8918 241.0515 -203363.1776 2501.9908 0.0000 0.0000 52052.2374 -109789.1596 299.1449 -161841.3970 -109427.3343 298.4988 -74.2127 -48.2197 760490.4512 19.2580 19.1904 PRESSURE: 2969000 -119.473 89.4839 -75.1207 89.4837 -131.658 -76.1044 -75.1211 -76.104 175.184 GPRESSURE: 2969000 -29.8776 78.0611 18.762 8.06708 -93.4369 -72.7595 -61.8485 69.0479 132.856 PRESSAVG: 2969000 -35.8774 -20.4525 -10.8727 -20.4525 22.65 26.5031 -10.8727 26.5031 2.59413 GPRESSAVG: 2969000 -35.0161 -17.8882 -10.4698 -21.322 22.2934 27.874 -10.1933 25.7722 2.35171 TIMING: 2969000 CPU: 9383.37, 0.00314403/step Wall: 9383.37, 0.00314403/step, 1.77376 hours remaining, 239.328125 MB of memory in use. ENERGY: 2969000 4080.6684 20559.2896 14385.8909 269.2300 -203575.4740 2594.1105 0.0000 0.0000 51969.5084 -109716.7763 298.6695 -161686.2847 -109359.9830 298.9825 -25.3157 3.1806 759997.8500 -3.5444 -3.4570 PRESSURE: 2969200 -59.8675 234.921 -81.975 234.92 -40.0538 -275.519 -81.9748 -275.52 -47.2454 GPRESSURE: 2969200 -44.9192 209.481 -40.1423 121.821 12.2613 -241.905 -74.6944 -216.992 -27.4761 PRESSAVG: 2969200 45.0328 -9.938 -6.53434 -9.93803 -41.5473 31.5674 -6.5343 31.5674 -9.60901 GPRESSAVG: 2969200 44.4513 -11.2879 -5.30023 -9.65359 -40.993 29.953 -6.15968 32.3877 -9.59416 TIMING: 2969200 CPU: 9384.01, 0.00317781/step Wall: 9384.01, 0.00317781/step, 1.79264 hours remaining, 239.328125 MB of memory in use. ENERGY: 2969200 3980.0810 20516.1507 14358.2723 243.0318 -203595.6920 2585.5399 0.0000 0.0000 52163.2774 -109749.3389 299.7831 -161912.6163 -109371.5965 298.9798 -49.0556 -20.0447 761668.5387 -2.0412 -2.0453 PRESSURE: 2969400 108.779 -144.815 14.1428 -144.815 1.71736 34.0448 14.143 34.0448 283.377 GPRESSURE: 2969400 95.6329 -52.8204 55.6606 -96.0423 106.911 -71.1921 24.7422 138.305 283.77 PRESSAVG: 2969400 -29.6944 -31.757 37.5207 -31.757 20.114 32.7542 37.5208 32.7542 -8.25564 GPRESSAVG: 2969400 -28.6491 -31.7387 37.4217 -30.921 19.4747 34.2329 38.164 32.9917 -8.1589 TIMING: 2969400 CPU: 9384.65, 0.0032057/step Wall: 9384.65, 0.0032057/step, 1.80819 hours remaining, 239.328125 MB of memory in use. ENERGY: 2969400 3928.2221 20435.2982 14411.3337 252.5111 -203502.8072 2624.6230 0.0000 0.0000 52158.7783 -109692.0406 299.7572 -161850.8189 -109329.1356 299.0502 131.2912 162.1046 761205.1686 -5.9454 -5.7778 PRESSURE: 2969600 -111.429 -115.481 34.6731 -115.481 185.781 -29.6193 34.6732 -29.6191 -109.979 GPRESSURE: 2969600 -3.91645 -127.031 85.8876 -117.033 111.653 -19.0568 83.1321 59.4457 -66.1103 PRESSAVG: 2969600 7.07775 -27.3098 6.46397 -27.3098 -20.955 -34.5941 6.46399 -34.5941 -12.9793 GPRESSAVG: 2969600 6.25335 -25.2455 6.86868 -28.3337 -20.5147 -35.6034 6.47839 -34.5476 -12.7274 TIMING: 2969600 CPU: 9385.28, 0.00317331/step Wall: 9385.28, 0.00317331/step, 1.78975 hours remaining, 239.328125 MB of memory in use. ENERGY: 2969600 3941.3260 20661.3625 14372.0747 248.5841 -203344.9672 2534.3539 0.0000 0.0000 51907.7853 -109679.4807 298.3148 -161587.2660 -109325.7410 299.0696 -11.8755 13.8756 760991.7469 -8.9522 -8.9963 PRESSURE: 2969800 -137.915 -169.622 -250.461 -169.621 148.391 -54.4147 -250.461 -54.4156 134.25 GPRESSURE: 2969800 67.5172 -118.812 -332.183 -39.9587 76.4496 -12.413 -225.681 3.04182 98.1456 PRESSAVG: 2969800 3.99118 -78.5677 -47.7245 -78.5677 -22.8084 49.9261 -47.7245 49.9261 -28.3514 GPRESSAVG: 2969800 5.85678 -79.2907 -49.0275 -77.8855 -23.2621 49.4651 -48.6255 50.2241 -29.4782 TIMING: 2969800 CPU: 9385.92, 0.00317805/step Wall: 9385.92, 0.00317805/step, 1.79225 hours remaining, 239.328125 MB of memory in use. ENERGY: 2969800 4006.8826 20512.0248 14391.7326 253.7201 -203647.4269 2646.6906 0.0000 0.0000 52256.1327 -109580.2435 300.3167 -161836.3763 -109215.9493 298.9915 48.2417 80.7041 760839.6244 -15.7229 -15.6278 PRESSURE: 2970000 -55.268 -31.002 142.988 -31.0032 -225.401 -15.8175 142.989 -15.8175 13.4171 GPRESSURE: 2970000 -49.3623 -103.29 175.116 -78.0906 -108.812 -42.9113 -22.2604 -3.43847 6.07196 PRESSAVG: 2970000 78.0335 -59.3858 39.2886 -59.3857 -56.3134 16.8519 39.2886 16.8519 15.4184 GPRESSAVG: 2970000 77.8603 -59.7582 40.8731 -58.3896 -56.0608 18.8948 38.9569 15.3807 15.6831 TIMING: 2970000 CPU: 9386.55, 0.00316064/step Wall: 9386.55, 0.00316064/step, 1.78225 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2970000 4051.6928 20422.4231 14375.5495 246.7654 -203298.2957 2493.5419 0.0000 0.0000 52105.9043 -109602.4187 299.4533 -161708.3230 -109237.7805 299.7465 -89.0841 -50.7007 761667.8933 12.3795 12.4942 PRESSURE: 2970200 235.233 160.471 -79.5071 160.472 164.606 -109.448 -79.5078 -109.448 199.74 GPRESSURE: 2970200 241.647 73.5225 -136.982 79.7809 207.639 -178.997 203.548 -71.6369 257.562 PRESSAVG: 2970200 129.224 -20.6255 5.48927 -20.6254 -83.8266 64.838 5.48924 64.838 -1.92281 GPRESSAVG: 2970200 129.367 -22.3846 4.35282 -20.6067 -83.1186 65.0047 6.29299 64.9104 -2.39487 TIMING: 2970200 CPU: 9387.19, 0.00317097/step Wall: 9387.19, 0.00317097/step, 1.7879 hours remaining, 239.328125 MB of memory in use. ENERGY: 2970200 4007.9791 20574.7833 14410.2648 259.0030 -203791.8754 2841.6919 0.0000 0.0000 52065.1818 -109632.9715 299.2193 -161698.1533 -109265.0461 299.5879 199.8600 235.6158 761532.8293 14.4914 14.6178 PRESSURE: 2970400 340.006 -45.9794 21.8653 -45.9796 -169.314 -24.3167 21.8651 -24.3155 470.304 GPRESSURE: 2970400 441.199 74.3224 73.7964 23.1716 -158.461 11.3049 -170.037 -40.3411 441.801 PRESSAVG: 2970400 29.0516 -8.17796 18.2239 -8.17802 16.9684 10.1044 18.2239 10.1045 9.18797 GPRESSAVG: 2970400 28.287 -7.67824 19.3689 -7.79976 15.5403 9.34745 16.736 10.3768 10.8174 TIMING: 2970400 CPU: 9387.82, 0.00316562/step Wall: 9387.82, 0.00316562/step, 1.78471 hours remaining, 239.328125 MB of memory in use. ENERGY: 2970400 3953.6269 20666.1867 14397.5682 269.6766 -203430.2834 2454.8960 0.0000 0.0000 52052.2738 -109636.0551 299.1451 -161688.3290 -109273.6231 299.4310 213.6653 241.5131 761452.8941 18.4027 18.2149 PRESSURE: 2970600 -104.448 -132.488 -32.1625 -132.488 -61.5828 10.9027 -32.1634 10.9027 -197.066 GPRESSURE: 2970600 -55.9787 -234.861 -92.6338 -23.716 -54.3716 -54.1221 -65.8047 38.8003 -142.987 PRESSAVG: 2970600 32.2671 1.17443 35.1836 1.17439 -21.9527 3.84867 35.1836 3.84863 -11.3408 GPRESSAVG: 2970600 31.8887 2.04595 33.3138 0.494696 -20.8172 3.50944 35.7989 3.72588 -11.9016 TIMING: 2970600 CPU: 9388.45, 0.00316754/step Wall: 9388.45, 0.00316754/step, 1.78561 hours remaining, 239.328125 MB of memory in use. ENERGY: 2970600 3943.9638 20474.1158 14408.1134 260.7610 -203272.1187 2425.0249 0.0000 0.0000 52102.6197 -109657.5201 299.4345 -161760.1398 -109283.3765 299.0199 -121.0321 -84.4458 761257.8660 -0.3421 -0.2767 PRESSURE: 2970800 101.517 99.1485 -137.264 99.1497 -241.989 84.1779 -137.264 84.1775 102.227 GPRESSURE: 2970800 136.624 36.1747 -193.059 152.304 -170.666 1.92 -78.5686 171.405 83.6032 PRESSAVG: 2970800 2.35553 -36.9465 28.8407 -36.9465 31.1223 51.5045 28.8407 51.5044 -22.786 GPRESSAVG: 2970800 4.84825 -36.6662 29.8512 -34.8596 29.8205 50.4684 30.0617 52.1502 -23.745 TIMING: 2970800 CPU: 9389.08, 0.00313841/step Wall: 9389.08, 0.00313841/step, 1.76901 hours remaining, 239.328125 MB of memory in use. ENERGY: 2970800 3971.6369 20626.4392 14405.7223 236.8916 -203313.5409 2435.8802 0.0000 0.0000 51949.5552 -109687.4153 298.5548 -161636.9706 -109342.0103 299.3842 -12.7484 16.5203 760578.8696 3.5640 3.6413 PRESSURE: 2971000 -119.067 -26.4033 119.091 -26.4037 -218.247 161.223 119.091 161.223 -33.8075 GPRESSURE: 2971000 -88.3186 -135.967 135.956 -148.945 -148.537 130.795 32.1193 101.075 -21.0071 PRESSAVG: 2971000 -7.05027 1.97208 -13.7317 1.97208 14.8771 19.1332 -13.7318 19.1333 28.9154 GPRESSAVG: 2971000 -8.6356 1.84731 -14.969 -0.671824 16.7808 20.5176 -13.0544 16.4466 28.8764 TIMING: 2971000 CPU: 9389.71, 0.00313788/step Wall: 9389.71, 0.00313788/step, 1.76855 hours remaining, 239.328125 MB of memory in use. ENERGY: 2971000 3928.0853 20339.9074 14395.9574 256.4486 -203472.8006 2613.7185 0.0000 0.0000 52105.8017 -109832.8817 299.4528 -161938.6834 -109465.7746 298.7358 -123.7069 -85.9541 759884.4604 12.2474 12.3405 PRESSURE: 2971200 -168.611 -92.941 23.9376 -92.9405 14.6277 51.8753 23.9372 51.8752 -107.113 GPRESSURE: 2971200 -196.548 -15.7901 -7.82234 -82.707 105.739 -0.0109157 78.8194 -7.32598 -76.1596 PRESSAVG: 2971200 14.1685 9.37353 6.53544 9.37349 10.4883 9.52741 6.53539 9.5274 6.8331 GPRESSAVG: 2971200 13.6259 9.95729 7.81478 9.57744 10.4071 8.69126 6.23931 12.6919 7.35867 TIMING: 2971200 CPU: 9390.34, 0.00313482/step Wall: 9390.34, 0.00313482/step, 1.76665 hours remaining, 239.328125 MB of memory in use. ENERGY: 2971200 3956.8717 20474.7865 14441.6594 243.0250 -203232.5136 2328.2586 0.0000 0.0000 52020.7603 -109767.1522 298.9640 -161787.9124 -109405.7868 298.3904 -87.0322 -55.6565 760175.2506 10.4966 10.4639 PRESSURE: 2971400 -208.214 -87.6829 -116.971 -87.6827 -366.157 127.028 -116.971 127.027 -305.593 GPRESSURE: 2971400 -216.845 -74.8194 -159.876 -145.737 -282.953 9.79158 -166.078 162.752 -284.536 PRESSAVG: 2971400 -42.4019 -40.7284 43.5701 -40.7284 34.527 -34.4192 43.5701 -34.4193 21.694 GPRESSAVG: 2971400 -43.0169 -41.8981 44.1212 -41.1815 35.2146 -35.2781 43.6256 -35.4229 21.4609 TIMING: 2971400 CPU: 9390.97, 0.00315077/step Wall: 9390.97, 0.00315077/step, 1.77546 hours remaining, 239.328125 MB of memory in use. ENERGY: 2971400 4025.2723 20318.3902 14358.7160 250.6229 -203231.4023 2289.6239 0.0000 0.0000 52055.5247 -109933.2524 299.1638 -161988.7770 -109564.3230 298.5241 -293.3216 -261.4449 761287.7035 4.6064 4.5528 PRESSURE: 2971600 -360.063 43.5631 -149.825 43.5634 253.033 -65.8539 -149.825 -65.8533 -128.149 GPRESSURE: 2971600 -213.044 31.1323 -119.062 51.695 186.47 -81.4875 -13.5852 -8.00173 -126.207 PRESSAVG: 2971600 -4.9109 -64.0109 -27.8509 -64.0108 11.4059 -11.8752 -27.851 -11.8752 -11.2679 GPRESSAVG: 2971600 -4.23266 -65.0257 -28.4489 -61.8199 11.3574 -9.92423 -24.4708 -12.2747 -11.4399 TIMING: 2971600 CPU: 9391.59, 0.00312607/step Wall: 9391.59, 0.00312607/step, 1.76137 hours remaining, 239.328125 MB of memory in use. ENERGY: 2971600 3919.2444 20385.5422 14330.4223 255.8426 -203460.4696 2563.4592 0.0000 0.0000 51949.2832 -110056.6758 298.5532 -162005.9590 -109684.7281 298.4320 -78.3931 -50.9271 760438.5145 -1.5910 -1.4384 PRESSURE: 2971800 -115.794 -173.702 51.313 -173.701 -289.529 134.436 51.3132 134.436 199.928 GPRESSURE: 2971800 -100.777 -144.863 38.942 -145.209 -278.236 132.403 -36.772 108.29 261.118 PRESSAVG: 2971800 5.10245 -29.638 -13.5535 -29.638 -12.3163 20.4541 -13.5535 20.4542 -6.04641 GPRESSAVG: 2971800 5.73457 -27.8239 -13.1185 -29.8276 -12.9166 20.2325 -16.0901 19.8417 -5.08578 TIMING: 2971800 CPU: 9392.22, 0.00315042/step Wall: 9392.22, 0.00315042/step, 1.77491 hours remaining, 239.328125 MB of memory in use. ENERGY: 2971800 3952.6611 20573.2035 14325.4330 252.4689 -203345.8457 2301.5916 0.0000 0.0000 51830.7353 -110109.7522 297.8719 -161940.4875 -109741.4441 298.3457 -68.4647 -39.2985 760813.0344 -4.4201 -4.0893 PRESSURE: 2972000 -126.244 134.301 -70.8365 134.3 -174.482 -296.169 -70.8374 -296.17 -181.563 GPRESSURE: 2972000 -44.7398 58.8973 -11.956 101.845 -137.137 -344.238 -60.169 -244.087 -198.055 PRESSAVG: 2972000 52.6522 7.90473 8.43726 7.90473 -34.4884 -52.637 8.43723 -52.6371 -4.26646 GPRESSAVG: 2972000 53.2563 5.43325 10.061 6.34524 -34.3849 -53.6545 8.94041 -52.3788 -4.94819 TIMING: 2972000 CPU: 9392.85, 0.00313299/step Wall: 9392.85, 0.00313299/step, 1.76492 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2972000 3960.1749 20662.7172 14331.1098 253.1686 -203516.5313 2459.4390 0.0000 0.0000 51976.4265 -109873.4954 298.7092 -161849.9219 -109515.3740 298.7422 -160.7632 -126.6439 759602.2466 4.6325 4.6411 PRESSURE: 2972200 -218.634 15.5826 52.2597 15.5826 -254.089 37.3948 52.2594 37.394 -328.585 GPRESSURE: 2972200 -217.639 -82.4152 75.3433 -19.776 -228.762 69.043 39.4519 -52.9144 -263.637 PRESSAVG: 2972200 57.9099 -17.5469 13.872 -17.5468 -9.33222 -35.2285 13.872 -35.2285 -9.71382 GPRESSAVG: 2972200 56.6805 -14.5801 11.8784 -17.0919 -8.80393 -35.4094 13.4157 -35.1107 -9.18731 TIMING: 2972200 CPU: 9393.47, 0.0031176/step Wall: 9393.47, 0.0031176/step, 1.75607 hours remaining, 239.328125 MB of memory in use. ENERGY: 2972200 4034.5493 20494.8992 14360.9122 271.9140 -203198.6947 2342.7884 0.0000 0.0000 51760.3385 -109933.2930 297.4674 -161693.6315 -109580.2146 298.8342 -267.1027 -236.6795 759730.2315 12.9546 12.8964 LDB: ============= START OF LOAD BALANCING ============== 9405.87 LDB: ============== END OF LOAD BALANCING =============== 9405.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9405.87 LDB: ============= START OF LOAD BALANCING ============== 9406.19 LDB: Largest compute 7078 load 0.032229 is 16.4% of average load 0.196104 LDB: Average compute 0.004377 is 2.2% of average load 0.196104 LDB: TIME 9406.19 LOAD: AVG 0.196104 MAX 0.214642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 9406.19 LOAD: AVG 0.196104 MAX 0.214642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 9406.19 LOAD: AVG 0.196104 MAX 0.214642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 9406.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9406.2 PRESSURE: 2972400 -302.102 -113.95 -14.7499 -113.951 231.079 -205.567 -14.7501 -205.567 -23.6218 GPRESSURE: 2972400 -162.302 -18.9981 -105.535 -142.116 229.246 -306.489 60.1021 -158.013 -92.2251 PRESSAVG: 2972400 -9.91015 -2.74004 35.2312 -2.74004 -23.6768 -36.187 35.2312 -36.1871 -7.65253 GPRESSAVG: 2972400 -9.19485 -1.80786 35.6732 -3.27068 -24.2484 -36.462 34.7564 -34.0675 -7.83585 TIMING: 2972400 CPU: 9394.11, 0.00321632/step Wall: 9394.11, 0.00321632/step, 1.8115 hours remaining, 238.671875 MB of memory in use. ENERGY: 2972400 3926.0865 20601.5829 14326.3597 252.7737 -203708.9630 2663.1355 0.0000 0.0000 52089.6819 -109849.3429 299.3601 -161939.0248 -109495.6760 299.2786 -31.5482 -8.4271 759678.1968 -13.7465 -13.7597 PRESSURE: 2972600 409.46 -130.238 -25.4375 -130.237 22.9457 -124.054 -25.4372 -124.053 -15.5093 GPRESSURE: 2972600 429.693 -135.019 46.0932 -92.5608 112.712 -100.405 17.3282 -117.834 -32.0341 PRESSAVG: 2972600 50.113 -9.90635 -31.216 -9.90637 -30.7073 24.5017 -31.216 24.5017 -7.94267 GPRESSAVG: 2972600 50.3334 -11.1001 -31.6927 -9.91865 -30.7294 25.2871 -30.0627 23.4016 -7.89285 TIMING: 2972600 CPU: 9394.74, 0.00313235/step Wall: 9394.74, 0.00313235/step, 1.76404 hours remaining, 238.738281 MB of memory in use. ENERGY: 2972600 3970.2580 20315.3252 14387.5504 256.4645 -203623.0264 2845.2801 0.0000 0.0000 52007.0640 -109841.0842 298.8853 -161848.1482 -109483.0019 299.1981 138.9654 170.1238 760673.7737 3.8210 3.9037 PRESSURE: 2972800 360.224 -58.2658 5.31348 -58.2664 120.688 155.773 5.31394 155.772 232.57 GPRESSURE: 2972800 310.214 7.01675 33.789 78.6255 189.249 169.736 -51.1157 172.498 294.501 PRESSAVG: 2972800 24.0325 -7.00348 -16.1126 -7.00349 -30.5123 23.8751 -16.1127 23.8752 -16.8133 GPRESSAVG: 2972800 24.3454 -6.54442 -14.5291 -4.74163 -31.0561 24.4549 -16.4531 24.3009 -16.6641 TIMING: 2972800 CPU: 9395.37, 0.00315958/step Wall: 9395.37, 0.00315958/step, 1.77919 hours remaining, 238.738281 MB of memory in use. ENERGY: 2972800 3913.4461 20400.3818 14389.2663 239.1547 -203527.2124 2524.6208 0.0000 0.0000 52184.1878 -109876.1549 299.9032 -162060.3427 -109509.5231 298.9139 237.8273 264.6548 760310.5062 -7.7643 -7.7916 PRESSURE: 2973000 -51.8971 152.469 267.095 152.469 -18.3647 113.893 267.095 113.893 -111.518 GPRESSURE: 2973000 24.4966 135.081 246.026 116.62 38.0415 58.4205 179.002 150.21 -147.831 PRESSAVG: 2973000 44.8487 -53.8068 -20.9303 -53.8068 -8.32348 -0.572081 -20.9303 -0.57204 5.00278 GPRESSAVG: 2973000 44.8163 -55.9325 -20.7903 -52.3553 -7.26889 -1.0379 -23.3 0.159137 3.8448 TIMING: 2973000 CPU: 9396, 0.00314935/step Wall: 9396, 0.00314935/step, 1.77326 hours remaining, 238.738281 MB of memory in use. ENERGY: 2973000 3981.6774 20460.8453 14399.2063 255.9601 -203555.0394 2765.2391 0.0000 0.0000 51699.5866 -109992.5246 297.1182 -161692.1113 -109628.9428 298.6995 -60.5934 -28.4310 761388.1592 13.8427 13.7974 PRESSURE: 2973200 341.286 -103.32 12.4785 -103.32 100.561 -92.4705 12.478 -92.4703 380.341 GPRESSURE: 2973200 394.03 -5.57465 -90.8337 -90.2065 129.391 14.9462 55.2975 -143.962 378.798 PRESSAVG: 2973200 26.5828 -37.6566 -16.5148 -37.6566 2.45838 -8.60701 -16.5148 -8.60707 14.3994 GPRESSAVG: 2973200 25.574 -37.3717 -18.5584 -38.5034 3.02895 -7.53265 -13.1813 -9.63509 15.4494 TIMING: 2973200 CPU: 9396.63, 0.00315073/step Wall: 9396.63, 0.00315073/step, 1.77386 hours remaining, 238.738281 MB of memory in use. ENERGY: 2973200 3967.6121 20416.2094 14410.3702 246.0344 -203693.7667 2842.8650 0.0000 0.0000 51947.3516 -109863.3239 298.5421 -161810.6755 -109501.9408 298.8538 274.0624 300.7395 760593.8104 14.4802 14.6841 PRESSURE: 2973400 83.6632 138.843 -71.1107 138.842 -281.293 130.847 -71.1103 130.847 169.61 GPRESSURE: 2973400 79.8647 -16.6867 -52.9362 168.523 -254.036 98.059 -106.013 86.3662 249.478 PRESSAVG: 2973400 -2.13352 -24.7956 -6.95484 -24.7956 -2.65906 -27.6776 -6.95491 -27.6775 -11.7991 GPRESSAVG: 2973400 -2.32918 -23.4627 -5.88367 -25.8433 -2.46177 -28.9439 -9.35628 -29.7177 -11.8898 TIMING: 2973400 CPU: 9397.26, 0.00313036/step Wall: 9397.26, 0.00313036/step, 1.76222 hours remaining, 238.738281 MB of memory in use. ENERGY: 2973400 4014.4838 20337.5476 14379.5962 238.6793 -203648.5575 2795.7977 0.0000 0.0000 51978.5421 -109903.9107 298.7214 -161882.4528 -109547.7406 298.9087 -9.3399 25.1023 760982.7203 -5.5306 -5.5602 PRESSURE: 2973600 -92.2867 -103.656 -115.153 -103.656 -273.449 67.6419 -115.152 67.6427 195.898 GPRESSURE: 2973600 -58.5881 28.1295 -83.3265 -223.576 -212.843 59.5747 -121.261 80.856 199.387 PRESSAVG: 2973600 66.9461 -57.4308 -33.9351 -57.4308 4.6908 -24.4812 -33.9352 -24.4812 0.203047 GPRESSAVG: 2973600 68.2845 -58.4709 -36.3398 -58.6353 4.11029 -22.8378 -32.9143 -23.2293 -0.574758 TIMING: 2973600 CPU: 9397.89, 0.00314573/step Wall: 9397.89, 0.00314573/step, 1.7707 hours remaining, 238.738281 MB of memory in use. ENERGY: 2973600 3937.6203 20710.1829 14344.7208 254.3831 -203703.1742 2787.0483 0.0000 0.0000 51894.0282 -109775.1907 298.2357 -161669.2189 -109417.0447 299.0892 -56.6125 -24.0146 761585.9547 23.9467 23.9400 PRESSURE: 2973800 68.3213 0.436708 187.637 0.43707 16.719 71.6603 187.639 71.6599 -602.835 GPRESSURE: 2973800 145.758 -22.5277 119.579 96.9437 19.3706 32.9093 203.661 85.7763 -587.414 PRESSAVG: 2973800 22.8074 -17.3252 20.565 -17.3252 -9.12127 -122.343 20.565 -122.343 10.8462 GPRESSAVG: 2973800 22.2487 -17.3047 21.5825 -16.7581 -9.49515 -124.565 20.5742 -119.861 11.5813 TIMING: 2973800 CPU: 9398.51, 0.00313134/step Wall: 9398.51, 0.00313134/step, 1.76242 hours remaining, 238.738281 MB of memory in use. ENERGY: 2973800 3983.4840 20353.4260 14406.6253 261.7944 -203096.4660 2432.2100 0.0000 0.0000 51787.5015 -109871.4247 297.6235 -161658.9262 -109517.0345 298.4777 -172.5982 -140.7616 761472.6857 8.1775 8.1116 PRESSURE: 2974000 -60.2133 -64.7207 130.755 -64.7208 -72.9191 0.139688 130.755 0.138611 -68.7933 GPRESSURE: 2974000 -67.0468 -22.5617 160.33 30.7928 2.98993 -47.9631 43.4295 17.1549 -66.8599 PRESSAVG: 2974000 -47.5477 17.0512 -3.7213 17.0511 2.20271 1.49072 -3.72132 1.49075 16.4437 GPRESSAVG: 2974000 -47.8623 16.6918 -3.09913 17.5171 2.55404 1.35922 -3.18454 -0.834709 15.7144 TIMING: 2974000 CPU: 9399.14, 0.00313681/step Wall: 9399.14, 0.00313681/step, 1.76533 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2974000 3990.0180 20430.8251 14411.3173 243.3598 -203565.1714 2582.6529 0.0000 0.0000 52130.0281 -109776.9704 299.5920 -161906.9984 -109417.7975 298.3686 -67.3086 -43.6389 759805.5757 -9.6338 -9.8646 PRESSURE: 2974200 651.6 155.52 161.468 155.52 -32.6973 24.4823 161.468 24.4818 94.6348 GPRESSURE: 2974200 702.244 189.096 95.1436 243.414 58.2395 5.46318 29.4696 127.509 27.6916 PRESSAVG: 2974200 17.5564 11.0552 -30.4607 11.0552 -13.6277 17.7724 -30.4607 17.7723 18.1713 GPRESSAVG: 2974200 16.853 11.6476 -30.92 9.9083 -12.3698 19.3638 -31.8094 17.7064 16.882 TIMING: 2974200 CPU: 9399.77, 0.00313376/step Wall: 9399.77, 0.00313376/step, 1.76344 hours remaining, 238.738281 MB of memory in use. ENERGY: 2974200 3924.7761 20492.3388 14472.3846 251.1853 -203635.3624 2707.2568 0.0000 0.0000 51804.5512 -109982.8696 297.7215 -161787.4208 -109637.0906 298.2863 237.8460 262.7250 758170.6681 7.3667 7.1217 PRESSURE: 2974400 213.496 68.8382 -24.2466 68.8387 84.4013 114.687 -24.2468 114.687 -74.7829 GPRESSURE: 2974400 260.266 134.713 -66.9265 93.2203 153.772 46.1242 -13.9798 162.524 -103.4 PRESSAVG: 2974400 74.5283 57.8218 -5.93413 57.8218 -75.9616 -47.9121 -5.93415 -47.9121 -29.045 GPRESSAVG: 2974400 74.9588 59.8987 -6.77319 58.3103 -76.6933 -47.6193 -3.06351 -49.0477 -28.7062 TIMING: 2974400 CPU: 9400.4, 0.0031369/step Wall: 9400.4, 0.0031369/step, 1.76503 hours remaining, 238.738281 MB of memory in use. ENERGY: 2974400 3977.0725 20384.5075 14334.7132 252.2603 -203721.7312 2749.6575 0.0000 0.0000 51869.1809 -110154.3394 298.0929 -162023.5203 -109796.9726 297.8618 74.3715 103.5461 760433.1639 -10.1594 -10.1469 PRESSURE: 2974600 -68.5743 -118.76 148.677 -118.761 -143.415 -3.30718 148.677 -3.30722 73.5711 GPRESSURE: 2974600 -21.1493 -21.9445 73.0285 -124.216 -111.14 -32.0795 208.951 28.8306 96.4386 PRESSAVG: 2974600 9.27417 -16.8018 -8.75148 -16.8017 -25.2688 36.6618 -8.75143 36.6618 2.71194 GPRESSAVG: 2974600 9.85221 -16.7978 -8.4241 -15.4662 -25.071 33.9968 -9.17856 39.1491 2.78386 TIMING: 2974600 CPU: 9401.03, 0.00316472/step Wall: 9401.03, 0.00316472/step, 1.78051 hours remaining, 238.738281 MB of memory in use. ENERGY: 2974600 3919.5170 20330.1269 14397.0405 253.3974 -203375.0366 2531.4812 0.0000 0.0000 51737.4886 -110205.9849 297.3361 -161943.4736 -109845.5089 298.3200 -46.1394 -11.9502 759859.3952 -4.4276 -4.1450 PRESSURE: 2974800 -37.162 243.789 180.62 243.789 240.978 101.621 180.619 101.621 327.003 GPRESSURE: 2974800 19.4317 127.318 207.021 148.634 254.278 127.8 81.3542 164.701 371.568 PRESSAVG: 2974800 66.915 47.5543 49.2014 47.5543 -23.7455 -6.74827 49.2015 -6.74827 -5.19164 GPRESSAVG: 2974800 67.2214 45.0306 49.927 46.5127 -25.0314 -6.45057 47.3717 -5.64879 -3.89711 TIMING: 2974800 CPU: 9401.66, 0.00315291/step Wall: 9401.66, 0.00315291/step, 1.77369 hours remaining, 238.738281 MB of memory in use. ENERGY: 2974800 3894.5882 20470.5893 14360.7314 248.3618 -203206.1064 2208.5957 0.0000 0.0000 51727.1568 -110296.0832 297.2767 -162023.2400 -109950.0261 297.7677 176.9396 215.0926 759509.2948 12.6593 12.7643 PRESSURE: 2975000 37.0198 177.171 100.097 177.17 -519.627 -37.7269 100.097 -37.726 221.032 GPRESSURE: 2975000 82.3259 218.436 122.723 227.698 -372.681 -67.3976 141.782 -31.1121 118.186 PRESSAVG: 2975000 73.9017 12.2091 -0.804681 12.2091 -78.1487 -21.481 -0.804685 -21.4811 2.29149 GPRESSAVG: 2975000 74.5244 11.9664 -0.179566 12.5481 -77.6802 -20.6211 -1.93372 -23.1733 1.08204 TIMING: 2975000 CPU: 9402.29, 0.00313516/step Wall: 9402.29, 0.00313516/step, 1.76353 hours remaining, 238.738281 MB of memory in use. ENERGY: 2975000 4034.2839 20319.8967 14409.1185 233.3641 -203898.3343 2430.6821 0.0000 0.0000 51961.4548 -110509.5341 298.6232 -162470.9889 -110139.5918 297.8341 -87.1919 -57.3895 760114.5683 -0.6518 -0.6912 PRESSURE: 2975200 106.548 70.8925 484.085 70.8923 -64.0374 212.009 484.085 212.009 -30.0854 GPRESSURE: 2975200 117.949 78.2196 448.684 -50.1555 81.4457 205.568 297.479 233.327 -114.846 PRESSAVG: 2975200 80.6087 48.0899 22.1738 48.0899 -102.063 2.64497 22.1739 2.64501 -5.84011 GPRESSAVG: 2975200 79.8667 48.0582 21.7663 47.6996 -102.291 3.02306 23.8821 2.31635 -4.9161 TIMING: 2975200 CPU: 9402.91, 0.00312969/step Wall: 9402.91, 0.00312969/step, 1.76028 hours remaining, 238.738281 MB of memory in use. ENERGY: 2975200 4018.7662 20695.5338 14362.7073 245.7680 -203457.3036 2027.5797 0.0000 0.0000 51729.8764 -110377.0722 297.2923 -162106.9485 -110029.9078 297.6711 4.1418 28.1829 759634.9682 -9.0982 -9.1133 PRESSURE: 2975400 32.1268 79.731 -213.515 79.7314 46.6965 -260.917 -213.515 -260.918 84.6224 GPRESSURE: 2975400 23.5262 94.4023 -128.768 -19.9081 48.7129 -181.402 -121.23 -150.666 176.599 PRESSAVG: 2975400 55.0422 5.52474 -34.2415 5.52473 -58.527 58.6946 -34.2414 58.6946 11.0685 GPRESSAVG: 2975400 55.2811 5.33957 -34.4066 3.67594 -58.9357 60.6351 -35.1407 57.2849 11.4144 TIMING: 2975400 CPU: 9403.54, 0.00315225/step Wall: 9403.54, 0.00315225/step, 1.77279 hours remaining, 238.738281 MB of memory in use. ENERGY: 2975400 4022.5523 20516.9113 14404.9545 220.8459 -203677.2470 2523.8319 0.0000 0.0000 51901.3894 -110086.7617 298.2780 -161988.1511 -109725.8639 297.7420 54.4819 82.9459 759539.5388 2.5279 2.5866 PRESSURE: 2975600 17.2942 38.6408 115.375 38.6412 -133.843 -120.265 115.375 -120.266 266.58 GPRESSURE: 2975600 149.743 -40.7146 79.7774 -46.7588 -157.02 -108.668 161.072 -42.6308 256.866 PRESSAVG: 2975600 -21.1175 -27.9287 -28.5171 -27.9288 43.4619 7.20735 -28.5171 7.20737 -16.0112 GPRESSAVG: 2975600 -21.1477 -28.6666 -28.5927 -27.552 44.8426 4.07985 -29.351 10.6294 -17.0341 TIMING: 2975600 CPU: 9404.17, 0.00313473/step Wall: 9404.17, 0.00313473/step, 1.76276 hours remaining, 238.738281 MB of memory in use. ENERGY: 2975600 4023.4938 20661.2072 14371.8607 237.4986 -203895.1951 2811.8565 0.0000 0.0000 52043.7516 -109745.5268 299.0962 -161789.2784 -109385.8043 298.7746 50.0103 83.1962 761017.9384 2.1111 2.2203 PRESSURE: 2975800 -9.40405 -298.098 -222.111 -298.097 -187.473 183.409 -222.111 183.41 128.734 GPRESSURE: 2975800 39.0124 -127.049 -218.701 -118.707 -183.712 190.593 -169.824 75.6582 158.566 PRESSAVG: 2975800 -7.22148 -64.6553 22.3419 -64.6553 36.2281 -39.995 22.3419 -39.9949 10.515 GPRESSAVG: 2975800 -7.598 -62.7337 21.0233 -62.736 35.9097 -38.7439 24.3596 -40.9534 11.0277 TIMING: 2975800 CPU: 9404.8, 0.00313701/step Wall: 9404.8, 0.00313701/step, 1.76387 hours remaining, 238.738281 MB of memory in use. ENERGY: 2975800 3963.4137 20562.0275 14401.6917 249.3750 -203902.3736 2709.0532 0.0000 0.0000 52293.8819 -109722.9306 300.5337 -162016.8124 -109358.3794 299.1281 -22.7146 4.6220 761096.4104 13.1739 13.1131 PRESSURE: 2976000 65.9521 -61.2365 286.478 -61.2367 -335.432 -34.0182 286.477 -34.0186 319.777 GPRESSURE: 2976000 114.388 -53.7721 279.152 -54.65 -273.251 78.883 117.886 -76.5536 307.309 PRESSAVG: 2976000 47.5525 -50.4508 -21.1898 -50.4508 -54.2298 -17.4079 -21.1898 -17.4078 0.983374 GPRESSAVG: 2976000 46.0422 -50.4625 -19.624 -50.5285 -54.4135 -16.6398 -22.8729 -17.7882 2.70515 TIMING: 2976000 CPU: 9405.42, 0.00312904/step Wall: 9405.42, 0.00312904/step, 1.75921 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2976000 3925.6284 20731.4742 14401.0971 250.4599 -203623.6984 2578.0860 0.0000 0.0000 51906.3388 -109830.6140 298.3064 -161736.9529 -109469.9567 299.1002 16.7657 49.4819 760806.1455 -1.8980 -1.8887 PRESSURE: 2976200 107.777 -124.432 -4.96401 -124.432 -144.409 127.248 -4.96427 127.249 318.783 GPRESSURE: 2976200 110.694 -25.1155 -46.2151 -134.751 -95.8889 172.923 -24.5251 123.513 361.364 PRESSAVG: 2976200 11.9411 -38.8794 26.2561 -38.8795 -5.41691 -24.0052 26.2561 -24.0051 1.78465 GPRESSAVG: 2976200 13.3118 -37.276 25.3547 -40.0772 -5.77922 -25.1334 25.933 -23.9052 0.0695906 TIMING: 2976200 CPU: 9406.05, 0.00312148/step Wall: 9406.05, 0.00312148/step, 1.75479 hours remaining, 238.738281 MB of memory in use. ENERGY: 2976200 4041.7845 20491.1250 14411.2672 239.9979 -203911.4323 2938.5190 0.0000 0.0000 51914.0432 -109874.6955 298.3507 -161788.7387 -109514.5267 298.7926 94.0502 125.3897 760764.1247 2.7696 2.5341 LDB: ============= START OF LOAD BALANCING ============== 9418.44 LDB: ============== END OF LOAD BALANCING =============== 9418.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9418.44 LDB: ============= START OF LOAD BALANCING ============== 9418.76 LDB: Largest compute 7078 load 0.031567 is 16.1% of average load 0.196055 LDB: Average compute 0.004385 is 2.2% of average load 0.196055 LDB: TIME 9418.76 LOAD: AVG 0.196055 MAX 0.212567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 9418.76 LOAD: AVG 0.196055 MAX 0.212567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 9418.76 LOAD: AVG 0.196055 MAX 0.212567 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 9418.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9418.77 PRESSURE: 2976400 40.0224 7.9548 -146.986 7.95534 -309.006 32.0944 -146.986 32.0935 124.425 GPRESSURE: 2976400 69.9859 -17.2428 -94.6224 -24.8172 -230.074 13.7416 -342.21 6.27471 105.126 PRESSAVG: 2976400 -26.1197 -52.7461 18.8717 -52.7461 24.7767 -33.524 18.8718 -33.5241 2.60823 GPRESSAVG: 2976400 -25.6037 -53.424 19.1322 -51.7275 24.5671 -34.9346 20.4932 -33.4594 2.06983 TIMING: 2976400 CPU: 9406.69, 0.00319921/step Wall: 9406.69, 0.00319921/step, 1.79831 hours remaining, 238.414062 MB of memory in use. ENERGY: 2976400 4012.0590 20420.3126 14428.7204 272.0682 -203871.6609 2717.1284 0.0000 0.0000 52052.9290 -109968.4434 299.1489 -162021.3724 -109606.5200 299.1125 -48.1863 -18.3206 759927.5556 0.4217 0.3444 PRESSURE: 2976600 -258.947 -166.681 -7.46297 -166.682 -75.3772 -54.8518 -7.46283 -54.8524 -81.8554 GPRESSURE: 2976600 -179.98 -191.341 -35.1707 -107.478 -36.2569 3.44865 84.7188 -181.986 -98.71 PRESSAVG: 2976600 7.80149 -62.172 7.45012 -62.172 -8.26672 0.325109 7.4501 0.325047 3.65658 GPRESSAVG: 2976600 8.65346 -61.6698 7.3074 -63.033 -9.14612 1.30456 6.48781 -1.27276 3.65881 TIMING: 2976600 CPU: 9407.32, 0.00316302/step Wall: 9407.32, 0.00316302/step, 1.77779 hours remaining, 238.414062 MB of memory in use. ENERGY: 2976600 3964.2926 20614.8595 14377.7984 255.0914 -203709.2757 2777.3783 0.0000 0.0000 52187.6081 -109532.2474 299.9229 -161719.8555 -109162.4069 299.0776 -138.7265 -104.9824 760836.6827 1.0638 1.0554 PRESSURE: 2976800 164.536 -137.582 -410.571 -137.582 156.363 -231.272 -410.571 -231.271 36.1926 GPRESSURE: 2976800 208.648 -246.427 -405.9 -82.8528 176.475 -164.678 -410.592 -51.45 41.4424 PRESSAVG: 2976800 -0.327098 -24.23 15.4527 -24.2301 18.4226 -9.01589 15.4528 -9.01587 -5.85727 GPRESSAVG: 2976800 -1.83955 -25.4894 15.6592 -24.4142 18.4396 -8.81595 17.2402 -5.56181 -4.7609 TIMING: 2976800 CPU: 9407.95, 0.00315267/step Wall: 9407.95, 0.00315267/step, 1.7718 hours remaining, 238.414062 MB of memory in use. ENERGY: 2976800 4025.5420 20495.0394 14409.0908 223.9883 -202904.9247 2159.1329 0.0000 0.0000 52009.8889 -109582.2424 298.9015 -161592.1314 -109213.7959 299.5017 119.0304 142.1884 761616.8614 4.0794 3.9464 PRESSURE: 2977000 0.740197 -47.7956 247.296 -47.7949 -16.3483 250.721 247.295 250.721 -144.118 GPRESSURE: 2977000 -69.5282 -3.38451 363.963 -56.6185 94.9214 112.938 136.935 204.669 -99.3715 PRESSAVG: 2977000 -57.9998 -15.5998 -2.47484 -15.5998 -14.2962 25.9389 -2.47491 25.9389 -3.62928 GPRESSAVG: 2977000 -58.0814 -15.7334 -2.31706 -14.6527 -14.4221 26.1577 -3.62365 22.9774 -3.16725 TIMING: 2977000 CPU: 9408.58, 0.00314011/step Wall: 9408.58, 0.00314011/step, 1.76457 hours remaining, 238.414062 MB of memory in use. ENERGY: 2977000 3948.1963 20515.2232 14418.6591 240.6203 -203298.9334 2426.0630 0.0000 0.0000 52034.3512 -109715.8203 299.0421 -161750.1715 -109349.8212 299.1384 -53.2421 -24.6594 762728.2319 -25.3084 -25.2236 PRESSURE: 2977200 -160.312 22.4091 69.8335 22.4093 109.489 -111.613 69.8347 -111.613 -126.642 GPRESSURE: 2977200 -102.193 -86.0993 94.4764 57.8245 92.2929 -133.117 -17.4816 70.9262 -78.0609 PRESSAVG: 2977200 -44.3575 -50.4455 32.7277 -50.4454 14.3 -70.0477 32.7278 -70.0477 3.51678 GPRESSAVG: 2977200 -44.0604 -47.8893 31.5763 -51.6317 15.7213 -69.7691 32.8122 -68.7493 1.78406 TIMING: 2977200 CPU: 9409.21, 0.00314531/step Wall: 9409.21, 0.00314531/step, 1.76732 hours remaining, 238.414062 MB of memory in use. ENERGY: 2977200 4013.2706 20420.7062 14443.5069 262.3657 -203163.3509 2365.4866 0.0000 0.0000 51991.4478 -109666.5671 298.7956 -161658.0149 -109314.8459 299.0161 -59.1548 -29.3204 761897.7005 -8.8469 -8.8517 PRESSURE: 2977400 -20.4624 115.824 -37.7383 115.823 116.172 91.0724 -37.7391 91.0728 192.969 GPRESSURE: 2977400 101.901 32.5335 -122.948 134.849 104.192 60.4596 42.012 -3.38678 161.82 PRESSAVG: 2977400 -18.8725 -24.4488 38.2065 -24.4488 38.3711 -3.4291 38.2065 -3.42909 -8.53926 GPRESSAVG: 2977400 -19.0669 -27.4646 37.8157 -23.1207 37.2888 -5.0543 37.6215 -2.37921 -7.77351 TIMING: 2977400 CPU: 9409.84, 0.00314659/step Wall: 9409.84, 0.00314659/step, 1.76786 hours remaining, 238.414062 MB of memory in use. ENERGY: 2977400 4002.6931 20482.0983 14369.9341 243.6550 -203137.0511 2364.3064 0.0000 0.0000 51874.8807 -109799.4835 298.1257 -161674.3643 -109439.5293 298.9374 96.2263 122.6378 760204.2110 3.6531 3.4828 PRESSURE: 2977600 -30.5983 46.7472 -143.142 46.7469 -278.32 290.384 -143.141 290.384 -88.938 GPRESSURE: 2977600 -4.20936 109.173 -10.21 37.0004 -225.419 233.339 -203.744 263.333 -89.6184 PRESSAVG: 2977600 -3.45034 -12.7297 3.16007 -12.7298 -41.1292 13.683 3.1601 13.683 3.04576 GPRESSAVG: 2977600 -1.98072 -11.8553 5.6414 -12.9564 -42.2935 12.3535 4.80182 13.8555 2.53346 TIMING: 2977600 CPU: 9410.46, 0.00312614/step Wall: 9410.46, 0.00312614/step, 1.7562 hours remaining, 238.414062 MB of memory in use. ENERGY: 2977600 4060.9281 20399.3139 14449.3539 228.9017 -202913.7866 2149.2874 0.0000 0.0000 51964.5303 -109661.4713 298.6409 -161626.0016 -109296.5366 298.5847 -132.6189 -106.4155 760809.0638 -13.8446 -13.9136 PRESSURE: 2977800 114.191 -4.3701 51.8282 -4.37018 113.871 -126.901 51.8275 -126.9 412.028 GPRESSURE: 2977800 153.511 -64.8525 4.37635 1.39332 201.786 -156.058 115.964 -299.511 388.126 PRESSAVG: 2977800 14.6636 23.9075 -4.46758 23.9074 57.6813 -31.029 -4.46759 -31.029 0.37235 GPRESSAVG: 2977800 13.2759 25.2342 -4.89276 24.7721 57.8615 -29.9704 -5.43618 -32.154 1.18277 TIMING: 2977800 CPU: 9411.09, 0.00315133/step Wall: 9411.09, 0.00315133/step, 1.77017 hours remaining, 238.414062 MB of memory in use. ENERGY: 2977800 4023.6483 20524.2667 14394.1691 251.2071 -203793.6778 2703.3008 0.0000 0.0000 52120.9647 -109776.1211 299.5399 -161897.0858 -109413.3335 299.6590 213.3633 247.8078 761277.8341 24.2391 24.1067 PRESSURE: 2978000 -174.342 99.1884 -229.175 99.1886 -156.287 -246.923 -229.175 -246.924 -271.287 GPRESSURE: 2978000 -179.991 109.914 -182.77 56.4357 -150.763 -197.309 -245.392 -98.926 -189.426 PRESSAVG: 2978000 -5.85269 8.8076 -8.83634 8.80757 -7.34276 -49.8337 -8.83631 -49.8337 -6.37212 GPRESSAVG: 2978000 -4.87981 8.46238 -8.52613 7.18553 -7.04338 -49.9947 -10.9553 -48.3848 -7.51267 TIMING: 2978000 CPU: 9411.72, 0.00315536/step Wall: 9411.72, 0.00315536/step, 1.77226 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2978000 3986.1743 20407.2270 14355.7088 245.2344 -203752.7061 2726.1737 0.0000 0.0000 51893.6240 -110138.5640 298.2334 -162032.1879 -109767.7005 298.8898 -200.6386 -173.3932 761187.3444 -6.5225 -6.4786 PRESSURE: 2978200 100.245 -151.129 -67.4074 -151.128 -13.8409 -62.8705 -67.4082 -62.8694 235.316 GPRESSURE: 2978200 92.8899 -110.605 -182.306 -202.982 89.7792 -2.82077 -54.8456 -124.513 230.719 PRESSAVG: 2978200 35.5264 -9.23707 -15.2886 -9.23705 -22.3915 -36.0791 -15.2887 -36.079 -23.4466 GPRESSAVG: 2978200 34.74 -9.78232 -14.9785 -9.65803 -22.629 -34.4561 -13.5026 -37.2984 -22.6737 TIMING: 2978200 CPU: 9412.35, 0.00315389/step Wall: 9412.35, 0.00315389/step, 1.77126 hours remaining, 238.414062 MB of memory in use. ENERGY: 2978200 3930.0408 20382.6874 14421.5042 228.3089 -203706.2464 2627.5553 0.0000 0.0000 51917.2168 -110198.9330 298.3690 -162116.1499 -109837.4031 298.3308 107.2400 137.7959 760770.3182 -3.4372 -3.5209 PRESSURE: 2978400 153.422 -192.055 22.4349 -192.055 257.111 -35.5409 22.4343 -35.541 10.4967 GPRESSURE: 2978400 197.433 -235.532 7.76382 -126.184 310.093 -95.8035 158.153 -81.115 -2.00316 PRESSAVG: 2978400 -36.2756 -16.4889 3.85469 -16.4889 44.554 39.4348 3.85468 39.4348 -1.63566 GPRESSAVG: 2978400 -37.3246 -17.4188 2.33777 -13.9016 45.3247 38.1814 6.76309 39.3513 -1.75379 TIMING: 2978400 CPU: 9412.98, 0.00314229/step Wall: 9412.98, 0.00314229/step, 1.76457 hours remaining, 238.414062 MB of memory in use. ENERGY: 2978400 3996.3742 20397.1321 14371.6302 239.5756 -203920.8749 2628.2451 0.0000 0.0000 51951.0534 -110336.8641 298.5634 -162287.9175 -109966.0835 297.7343 140.3431 168.5076 759863.2010 2.2142 2.0821 PRESSURE: 2978600 173.668 123.506 -10.1588 123.505 203.333 187.766 -10.1598 187.767 274.713 GPRESSURE: 2978600 238.373 63.3078 24.084 141.934 240.58 168.131 -28.3111 63.0308 271.886 PRESSAVG: 2978600 11.3602 -23.2745 -48.5525 -23.2745 9.63162 -4.95755 -48.5524 -4.95747 13.0315 GPRESSAVG: 2978600 12.3992 -21.6204 -46.7137 -25.0471 9.14193 -4.99566 -50.2728 -4.48889 12.8996 TIMING: 2978600 CPU: 9413.62, 0.00317497/step Wall: 9413.62, 0.00317497/step, 1.78274 hours remaining, 238.414062 MB of memory in use. ENERGY: 2978600 3943.7760 20562.2781 14407.7164 239.9149 -203857.1193 2685.5429 0.0000 0.0000 51880.0201 -110137.8709 298.1552 -162017.8910 -109785.9402 298.4436 217.2381 250.2797 759604.6765 11.3411 11.4802 PRESSURE: 2978800 -136.188 -21.2684 -151.922 -21.2682 49.7032 161.542 -151.922 161.541 -211.912 GPRESSURE: 2978800 -57.9597 14.5239 -179.113 -11.3402 -13.1528 161.961 -134.584 14.7598 -127.668 PRESSAVG: 2978800 -10.0242 5.68591 -15.1866 5.68597 10.6984 35.6253 -15.1866 35.6252 -8.49932 GPRESSAVG: 2978800 -11.1626 3.83707 -14.5057 5.47634 10.5208 35.9148 -16.3206 35.1231 -7.60389 TIMING: 2978800 CPU: 9414.26, 0.00319181/step Wall: 9414.26, 0.00319181/step, 1.79202 hours remaining, 238.414062 MB of memory in use. ENERGY: 2978800 4057.2529 20428.4856 14303.9930 226.3189 -203409.8566 2442.4236 0.0000 0.0000 52052.3031 -109899.0796 299.1453 -161951.3827 -109535.0012 298.8333 -99.4656 -66.2601 760344.0217 -2.6084 -2.7486 PRESSURE: 2979000 -277.902 -100.204 14.2985 -100.204 -198.917 -152.165 14.2976 -152.164 -184.604 GPRESSURE: 2979000 -207.553 -93.5951 69.7054 -86.6159 -161.361 -114.017 11.6309 -66.3782 -214.025 PRESSAVG: 2979000 -22.6474 7.41597 -7.36008 7.41595 -29.1017 -10.8034 -7.36003 -10.8034 10.2542 GPRESSAVG: 2979000 -21.6651 9.54069 -7.83606 6.00598 -28.9082 -11.8536 -6.8753 -10.6806 9.45432 TIMING: 2979000 CPU: 9414.88, 0.00314077/step Wall: 9414.88, 0.00314077/step, 1.76319 hours remaining, 238.414062 MB of memory in use. ENERGY: 2979000 4038.2441 20694.1180 14389.2755 242.6161 -203044.8113 2073.3514 0.0000 0.0000 51673.0700 -109934.1362 296.9658 -161607.2062 -109582.6042 298.6753 -220.4742 -194.3131 761431.9949 -13.8316 -13.7063 PRESSURE: 2979200 -278.496 37.6051 -151.997 37.6056 -84.5268 120.704 -151.998 120.705 -90.4431 GPRESSURE: 2979200 -287.081 -46.3084 -67.4416 53.2299 19.5486 92.012 -26.1366 109.393 -97.1685 PRESSAVG: 2979200 -41.8707 0.940923 39.5722 0.940863 -12.6368 -14.4277 39.5722 -14.4277 -24.5832 GPRESSAVG: 2979200 -42.2585 -0.456567 40.1154 3.2358 -12.4261 -13.7745 38.7545 -15.0025 -23.7602 TIMING: 2979200 CPU: 9415.51, 0.0031337/step Wall: 9415.51, 0.0031337/step, 1.75905 hours remaining, 238.414062 MB of memory in use. ENERGY: 2979200 3995.6220 20412.4178 14396.3405 249.5114 -203621.1247 2643.8535 0.0000 0.0000 51991.4112 -109931.9683 298.7954 -161923.3795 -109573.3503 298.5283 -151.1554 -121.5669 761479.3679 -26.3636 -26.1482 PRESSURE: 2979400 -161.872 -49.8349 -7.53345 -49.8347 83.2305 113.802 -7.5336 113.8 721.977 GPRESSURE: 2979400 -112.771 -11.9972 -108.894 45.5843 103.553 101.038 -25.3802 142.254 733.356 PRESSAVG: 2979400 -10.8945 -6.85215 -31.9377 -6.85214 24.1096 24.1292 -31.9377 24.1291 6.76276 GPRESSAVG: 2979400 -10.561 -5.8724 -33.3174 -8.01894 24.4468 24.0134 -31.648 24.6539 5.86826 TIMING: 2979400 CPU: 9416.15, 0.00318773/step Wall: 9416.15, 0.00318773/step, 1.7892 hours remaining, 238.414062 MB of memory in use. ENERGY: 2979400 4025.7641 20447.0946 14346.1163 247.1528 -203600.8930 2832.9979 0.0000 0.0000 51758.8128 -109942.9545 297.4586 -161701.7673 -109583.3751 298.5823 214.4452 241.3792 760380.7151 6.6593 6.5847 PRESSURE: 2979600 -237.405 -14.9826 -44.008 -14.9824 -482.608 10.6371 -44.0087 10.6373 -344.383 GPRESSURE: 2979600 -173.622 -55.3548 -68.326 4.8713 -512.678 -53.5567 -132.3 -15.5558 -308.853 PRESSAVG: 2979600 -35.7014 -65.7133 -44.0067 -65.7133 26.11 4.13741 -44.0067 4.13743 -27.6774 GPRESSAVG: 2979600 -35.1388 -66.0009 -43.3216 -64.0963 25.5387 3.4836 -44.2488 2.76401 -27.452 TIMING: 2979600 CPU: 9416.78, 0.00316758/step Wall: 9416.78, 0.00316758/step, 1.77772 hours remaining, 238.414062 MB of memory in use. ENERGY: 2979600 3995.8526 20435.7026 14367.3987 251.8732 -203034.7436 2071.9731 0.0000 0.0000 51951.8803 -109960.0631 298.5682 -161911.9434 -109603.7469 298.8067 -354.7985 -331.7177 761363.3823 -12.4229 -12.3507 PRESSURE: 2979800 111.307 42.3844 -189.096 42.3848 77.9908 -240.164 -189.097 -240.163 623.257 GPRESSURE: 2979800 132.671 60.2867 -176.765 -16.6366 154.048 -221.708 -121.84 -189.219 621.801 PRESSAVG: 2979800 9.98999 -31.2007 -26.5894 -31.2007 17.5797 -10.6663 -26.5895 -10.6663 31.5082 GPRESSAVG: 2979800 9.83315 -34.3505 -26.4521 -31.1855 18.2674 -10.2487 -26.0743 -10.1726 31.3186 TIMING: 2979800 CPU: 9417.41, 0.00315664/step Wall: 9417.41, 0.00315664/step, 1.7714 hours remaining, 238.414062 MB of memory in use. ENERGY: 2979800 3963.4586 20506.8376 14367.7581 226.0474 -204007.4097 2817.8301 0.0000 0.0000 52126.9597 -109998.5183 299.5744 -162125.4780 -109632.3714 299.2385 270.8517 302.8399 759954.2147 19.6926 19.8064 PRESSURE: 2980000 360.956 54.6758 -113.859 54.6751 111.116 96.767 -113.858 96.7669 -109.519 GPRESSURE: 2980000 409.603 83.6813 -76.2245 124.575 161.867 36.0849 -30.9752 142.577 -133.252 PRESSAVG: 2980000 -17.3903 -21.9296 30.8989 -21.9296 3.08179 -35.1816 30.8988 -35.1816 7.87395 GPRESSAVG: 2980000 -17.2014 -23.1927 29.4032 -20.7533 2.95253 -36.9357 29.2593 -33.5498 7.7058 TIMING: 2980000 CPU: 9418.04, 0.00315442/step Wall: 9418.04, 0.00315442/step, 1.76998 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2980000 3993.4266 20637.3413 14404.1886 222.4465 -203701.7308 2632.5330 0.0000 0.0000 51971.5397 -109840.2551 298.6812 -161811.7948 -109490.9870 299.4571 120.8510 146.0726 759014.2654 -2.1449 -2.1810 PRESSURE: 2980200 -180.653 169.318 -183.168 169.318 323.274 1.76961 -183.167 1.77039 140.869 GPRESSURE: 2980200 -119.73 145.959 -85.7801 185.746 309.616 52.9841 -118.598 91.5395 178.071 PRESSAVG: 2980200 41.5624 -0.222026 -33.4461 -0.222027 -35.0274 -8.92266 -33.4461 -8.92261 -7.85006 GPRESSAVG: 2980200 41.0422 3.53923 -31.7852 -3.19371 -34.5913 -5.37326 -32.9737 -9.02755 -7.85656 TIMING: 2980200 CPU: 9418.68, 0.0031633/step Wall: 9418.68, 0.0031633/step, 1.77479 hours remaining, 238.414062 MB of memory in use. ENERGY: 2980200 4002.9191 20419.1902 14397.7040 277.4493 -203726.3079 2541.9913 0.0000 0.0000 52215.6378 -109871.4161 300.0840 -162087.0539 -109504.4927 298.8362 94.4966 122.6522 758746.2518 -0.4384 -0.4686 LDB: ============= START OF LOAD BALANCING ============== 9431.08 LDB: ============== END OF LOAD BALANCING =============== 9431.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9431.08 LDB: ============= START OF LOAD BALANCING ============== 9431.4 LDB: Largest compute 7031 load 0.033351 is 17.0% of average load 0.196073 LDB: Average compute 0.004389 is 2.2% of average load 0.196073 LDB: TIME 9431.4 LOAD: AVG 0.196073 MAX 0.215658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 9431.4 LOAD: AVG 0.196073 MAX 0.215658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: TIME 9431.4 LOAD: AVG 0.196073 MAX 0.215658 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: ============== END OF LOAD BALANCING =============== 9431.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9431.41 PRESSURE: 2980400 -179.399 246.178 -17.857 246.178 -182.751 32.6359 -17.8567 32.6357 -479.801 GPRESSURE: 2980400 -168.811 190.911 17.458 282.793 -141.332 40.4356 -36.9888 -85.586 -436.393 PRESSAVG: 2980400 -40.4775 45.9591 -23.4174 45.9591 -3.60821 -20.7119 -23.4174 -20.7118 -25.2889 GPRESSAVG: 2980400 -40.3064 44.0922 -23.6265 46.3682 -3.08283 -22.0852 -22.3266 -21.1532 -25.7749 TIMING: 2980400 CPU: 9419.33, 0.00324935/step Wall: 9419.33, 0.00324935/step, 1.82288 hours remaining, 238.984375 MB of memory in use. ENERGY: 2980400 3963.3958 20516.4574 14403.4232 259.4071 -203176.7672 2208.6433 0.0000 0.0000 52107.4676 -109717.9728 299.4623 -161825.4404 -109351.0450 299.4943 -280.6506 -248.8454 761290.5452 -23.1249 -23.0547 PRESSURE: 2980600 -194.514 -91.8204 -114.726 -91.821 -149.082 32.292 -114.727 32.2914 234.598 GPRESSURE: 2980600 -230.114 -69.3618 -129.729 -129.053 -43.6096 5.0488 -51.9935 -113.2 266.952 PRESSAVG: 2980600 -35.0861 28.6654 -41.9673 28.6654 8.67786 -88.5986 -41.9673 -88.5987 5.55617 GPRESSAVG: 2980600 -35.3838 29.7271 -42.796 28.186 8.29571 -87.9313 -41.6245 -89.8459 6.78761 TIMING: 2980600 CPU: 9419.96, 0.00314516/step Wall: 9419.96, 0.00314516/step, 1.76426 hours remaining, 239.187500 MB of memory in use. ENERGY: 2980600 3908.4740 20471.6954 14475.8406 254.2388 -203056.6412 2298.6210 0.0000 0.0000 51999.2565 -109648.5150 298.8404 -161647.7715 -109298.3831 299.1329 -36.3328 -2.2572 762288.5961 -6.9507 -6.7668 PRESSURE: 2980800 84.5699 148.054 122.736 148.055 449.444 -117.561 122.736 -117.56 61.0809 GPRESSURE: 2980800 160.908 81.232 105.696 99.0977 437.706 -36.0735 13.7824 -174.194 77.0664 PRESSAVG: 2980800 -30.3899 30.2747 -8.11855 30.2747 13.5599 -14.9551 -8.11849 -14.955 11.624 GPRESSAVG: 2980800 -30.1078 30.1021 -7.08095 30.4005 13.3747 -13.8696 -10.034 -16.5351 10.9586 TIMING: 2980800 CPU: 9420.59, 0.0031598/step Wall: 9420.59, 0.0031598/step, 1.7723 hours remaining, 239.187500 MB of memory in use. ENERGY: 2980800 3965.7890 20615.5915 14371.5027 270.1706 -203529.7170 2576.2010 0.0000 0.0000 51966.5018 -109763.9604 298.6522 -161730.4622 -109404.7991 299.0009 198.3648 225.2266 761036.7120 -1.7353 -1.9248 PRESSURE: 2981000 -124.907 -177.931 -131.592 -177.932 -349.401 -241.959 -131.591 -241.96 11.1401 GPRESSURE: 2981000 -144.482 -108.454 -141.171 -127.814 -223.099 -139.056 -152.975 -165.658 -27.5689 PRESSAVG: 2981000 5.77024 59.9618 -2.68546 59.9619 16.5755 -1.40651 -2.68545 -1.40654 -26.5047 GPRESSAVG: 2981000 7.19591 60.5304 -3.96312 61.1537 16.7678 -3.79392 -0.782762 0.296968 -27.7167 TIMING: 2981000 CPU: 9421.22, 0.0031742/step Wall: 9421.22, 0.0031742/step, 1.7802 hours remaining, 239.187500 MB of memory in use. ENERGY: 2981000 3950.0814 20431.8354 14416.3737 228.5342 -202849.9749 2146.5220 0.0000 0.0000 51897.1835 -109779.4448 298.2538 -161676.6283 -109420.0900 299.0079 -154.3892 -131.7168 760887.7354 -1.3863 -1.2510 PRESSURE: 2981200 -179.923 -85.4515 -80.6203 -85.4523 -569.063 70.2878 -80.6201 70.2864 -6.12197 GPRESSURE: 2981200 -194.369 -106.747 -82.3898 -245.059 -506.865 -39.7335 -22.787 12.7642 39.7348 PRESSAVG: 2981200 0.764893 10.5211 -41.7103 10.5211 -16.7597 -18.4737 -41.7102 -18.4737 30.7009 GPRESSAVG: 2981200 -0.12702 8.72516 -40.2719 10.0131 -15.9484 -17.0276 -42.1395 -17.5755 30.5939 TIMING: 2981200 CPU: 9421.85, 0.00314729/step Wall: 9421.85, 0.00314729/step, 1.76493 hours remaining, 239.187500 MB of memory in use. ENERGY: 2981200 3968.0102 20604.8203 14399.7477 228.8609 -202933.9203 2022.5422 0.0000 0.0000 51924.3645 -109785.5745 298.4100 -161709.9391 -109419.3264 298.7661 -251.7027 -220.4997 760395.1016 4.9020 4.8395 PRESSURE: 2981400 274.529 -153.633 183.836 -153.633 27.8111 111.965 183.836 111.965 298.835 GPRESSURE: 2981400 303.656 -174.961 118.269 -186.022 57.0963 101.208 71.3374 86.0414 335.397 PRESSAVG: 2981400 24.4448 -45.8004 -57.2628 -45.8004 -17.7079 13.072 -57.2628 13.0721 -28.8377 GPRESSAVG: 2981400 23.4765 -44.9685 -58.437 -46.1699 -18.1863 11.9663 -57.5773 12.5542 -26.6586 TIMING: 2981400 CPU: 9422.48, 0.0031591/step Wall: 9422.48, 0.0031591/step, 1.77138 hours remaining, 239.187500 MB of memory in use. ENERGY: 2981400 3990.2076 20578.1250 14363.6659 245.6142 -203467.5867 2591.2703 0.0000 0.0000 51665.4945 -110033.2092 296.9223 -161698.7038 -109672.9492 298.8836 200.3917 232.0496 760611.3242 -7.3669 -7.1228 PRESSURE: 2981600 -158.055 15.8316 -263.714 15.831 -38.9448 -130.152 -263.714 -130.151 -140.291 GPRESSURE: 2981600 -88.3546 33.1673 -205.461 -147.385 -53.1616 -162.07 -265.79 -37.6844 -121.737 PRESSAVG: 2981600 16.1561 8.04361 -48.0237 8.0436 -44.8897 28.4356 -48.0238 28.4355 4.72805 GPRESSAVG: 2981600 16.9344 8.30626 -49.1918 6.08753 -44.5306 28.7118 -48.807 30.0542 3.69303 TIMING: 2981600 CPU: 9423.11, 0.0031567/step Wall: 9423.11, 0.0031567/step, 1.76986 hours remaining, 239.187500 MB of memory in use. ENERGY: 2981600 3858.3899 20619.2645 14443.5539 234.7300 -203527.4565 2489.1813 0.0000 0.0000 51659.7456 -110222.5913 296.8893 -161882.3370 -109852.7413 297.9973 -112.4304 -87.7511 760353.4215 -8.0019 -7.9677 PRESSURE: 2981800 135.323 -105.122 -17.7543 -105.123 -11.9638 -74.7941 -17.7543 -74.7933 12.5144 GPRESSURE: 2981800 111.079 -169.332 39.2066 -67.7473 71.3392 -135.99 -39.6265 -33.7995 50.5001 PRESSAVG: 2981800 17.4215 -34.7654 -53.4528 -34.7654 -14.1874 15.7472 -53.4529 15.7472 -0.475745 GPRESSAVG: 2981800 17.0374 -34.8937 -51.5427 -33.3334 -14.4637 14.1442 -54.7951 15.8907 0.000552294 TIMING: 2981800 CPU: 9423.75, 0.00317146/step Wall: 9423.75, 0.00317146/step, 1.77796 hours remaining, 239.187500 MB of memory in use. ENERGY: 2981800 3963.1933 20557.9958 14364.4738 242.5617 -204076.1101 2682.3119 0.0000 0.0000 52074.7805 -110190.7930 299.2745 -162265.5736 -109841.4401 298.4296 45.2911 77.6393 759461.0455 0.9194 0.8581 PRESSURE: 2982000 163.072 174.483 201.297 174.483 -378.072 71.7885 201.298 71.7865 -220.92 GPRESSURE: 2982000 189.682 147.125 111.241 204.441 -301.034 -0.12423 223.949 76.9717 -217.661 PRESSAVG: 2982000 39.2866 -29.4584 -30.3654 -29.4585 -25.3834 10.3779 -30.3654 10.3779 -5.38048 GPRESSAVG: 2982000 38.4031 -28.7085 -31.1822 -30.4879 -23.9524 11.1048 -29.9238 11.4763 -6.08853 TIMING: 2982000 CPU: 9424.39, 0.0032121/step Wall: 9424.39, 0.0032121/step, 1.80056 hours remaining, 239.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2982000 3932.9186 20417.7649 14353.4670 234.9362 -203371.0970 2338.2157 0.0000 0.0000 51946.8270 -110146.9676 298.5391 -162093.7946 -109793.2230 298.1231 -145.3068 -109.6711 760100.8149 2.8409 2.7874 PRESSURE: 2982200 -206.531 226.517 73.1172 226.516 110.616 -125.892 73.1163 -125.891 252.506 GPRESSURE: 2982200 -160.766 193.114 104.298 176.906 104.982 -175.724 110.493 -220.842 312.999 PRESSAVG: 2982200 37.451 9.5072 2.32057 9.50724 -45.5495 35.6245 2.32053 35.6245 25.6142 GPRESSAVG: 2982200 38.8079 8.90712 3.56379 10.3993 -46.7143 35.7828 3.44935 33.611 25.5641 TIMING: 2982200 CPU: 9425.03, 0.00317424/step Wall: 9425.03, 0.00317424/step, 1.77916 hours remaining, 239.187500 MB of memory in use. ENERGY: 2982200 3942.4151 20619.6147 14423.9902 259.5725 -203527.3676 2343.9274 0.0000 0.0000 51944.4025 -109993.4452 298.5252 -161937.8478 -109630.6843 298.4479 52.1967 85.7383 759951.8421 5.8386 5.8859 PRESSURE: 2982400 -2.82589 96.9001 203.02 96.9001 210.943 -266.676 203.02 -266.676 -11.514 GPRESSURE: 2982400 66.6639 110.848 194.266 144.301 210.09 -248.678 120.014 -247.915 -18.9664 PRESSAVG: 2982400 23.6014 -17.1151 -16.9316 -17.1151 -17.1926 8.2536 -16.9317 8.25367 7.20072 GPRESSAVG: 2982400 22.8022 -18.3452 -17.8737 -17.6078 -15.7035 10.9198 -16.8056 6.76127 6.54893 TIMING: 2982400 CPU: 9425.66, 0.00316879/step Wall: 9425.66, 0.00316879/step, 1.77593 hours remaining, 239.187500 MB of memory in use. ENERGY: 2982400 3926.0882 20429.3426 14393.8324 214.3996 -203864.9550 2657.1059 0.0000 0.0000 52124.4608 -110119.7255 299.5600 -162244.1863 -109760.7540 298.5015 65.5343 85.9293 759439.7229 4.5365 4.5492 PRESSURE: 2982600 68.0713 51.0319 -66.1666 51.0323 18.2487 -181.188 -66.1675 -181.188 -265.072 GPRESSURE: 2982600 101.965 -15.0509 -45.6202 22.426 66.3638 -173.065 -105.147 -143.966 -250.826 PRESSAVG: 2982600 79.0748 -20.9518 16.4863 -20.9518 -54.5681 11.2017 16.4863 11.2018 4.70755 GPRESSAVG: 2982600 79.3149 -20.8693 15.6058 -21.3323 -55.9858 9.64488 15.0765 13.5986 6.41738 TIMING: 2982600 CPU: 9426.3, 0.00319859/step Wall: 9426.3, 0.00319859/step, 1.79245 hours remaining, 239.187500 MB of memory in use. ENERGY: 2982600 4005.3282 20335.3279 14401.4670 240.4511 -203093.0866 2297.9223 0.0000 0.0000 51559.8941 -110252.6960 296.3154 -161812.5900 -109894.8823 297.9871 -59.5840 -27.4989 760230.1330 9.7381 9.9155 PRESSURE: 2982800 -124.069 -172.02 53.8998 -172.02 -234.792 172.089 53.9005 172.088 -185.379 GPRESSURE: 2982800 -55.0389 -50.7745 80.3125 -110.448 -225.026 142.417 -51.1863 48.9162 -183.631 PRESSAVG: 2982800 3.09515 -38.8011 0.343883 -38.8011 11.4161 -28.2679 0.343854 -28.2679 -21.1183 GPRESSAVG: 2982800 3.45219 -39.2071 0.782363 -36.7403 10.6466 -27.5287 1.68156 -28.4704 -21.3549 TIMING: 2982800 CPU: 9426.94, 0.00320556/step Wall: 9426.94, 0.00320556/step, 1.79618 hours remaining, 239.187500 MB of memory in use. ENERGY: 2982800 3919.7750 20563.8226 14423.6104 241.5142 -203380.1584 2412.3057 0.0000 0.0000 51651.9274 -110167.2031 296.8443 -161819.1304 -109807.2752 298.0854 -181.4133 -154.5654 759718.8550 -2.2023 -2.4187 PRESSURE: 2983000 -201.461 180.002 -141.474 180.003 -316.639 79.0306 -141.474 79.0298 -250.131 GPRESSURE: 2983000 -222.274 215.35 -191.74 70.3908 -229.959 99.1271 -152.722 20.467 -221.081 PRESSAVG: 2983000 54.3869 -18.9791 -64.9237 -18.9792 -18.8917 15.8342 -64.9236 15.8342 -11.1631 GPRESSAVG: 2983000 53.7417 -17.6015 -64.2403 -20.1547 -17.9478 14.0847 -66.0148 14.542 -11.534 TIMING: 2983000 CPU: 9427.58, 0.00317817/step Wall: 9427.58, 0.00317816/step, 1.78066 hours remaining, 239.187500 MB of memory in use. ENERGY: 2983000 3953.6480 20530.0694 14392.4584 227.6338 -203592.4813 2531.4075 0.0000 0.0000 51894.6191 -110062.6451 298.2391 -161957.2643 -109699.8424 298.6662 -256.0771 -224.4381 761300.5949 8.1107 8.0866 PRESSURE: 2983200 -236.348 77.0203 91.9574 77.0204 -418.238 66.578 91.9575 66.5788 -512.494 GPRESSURE: 2983200 -100.544 39.5013 26.3859 57.9105 -424.728 83.6258 139.818 18.912 -537.252 PRESSAVG: 2983200 -4.46014 -34.3335 15.6492 -34.3335 -11.1232 46.9561 15.6492 46.9562 11.8329 GPRESSAVG: 2983200 -3.63314 -34.3873 13.2003 -35.2895 -11.6137 48.2088 17.6235 49.7031 11.7501 TIMING: 2983200 CPU: 9428.21, 0.00316188/step Wall: 9428.21, 0.00316188/step, 1.77136 hours remaining, 239.187500 MB of memory in use. ENERGY: 2983200 4000.0166 20457.7001 14324.8787 232.7776 -203238.9319 2217.0350 0.0000 0.0000 51883.7395 -110122.7845 298.1766 -162006.5240 -109757.1006 298.0982 -389.0267 -354.1746 760298.1519 -1.2501 -1.1656 PRESSURE: 2983400 340.114 -58.257 -17.3673 -58.2577 9.09668 -7.38742 -17.3663 -7.38966 284.403 GPRESSURE: 2983400 347.184 -116.822 81.5036 -35.5577 75.5561 -8.75532 -65.0163 -27.3323 305.045 PRESSAVG: 2983400 41.1966 50.6781 12.3764 50.6781 -37.1676 -35.7554 12.3763 -35.7555 9.03786 GPRESSAVG: 2983400 40.0268 49.6882 14.8907 51.8861 -37.1867 -34.948 10.9084 -36.6358 10.1357 TIMING: 2983400 CPU: 9428.84, 0.00315711/step Wall: 9428.84, 0.00315711/step, 1.76851 hours remaining, 239.187500 MB of memory in use. ENERGY: 2983400 3959.4269 20595.3836 14399.3921 258.7733 -203840.5058 2695.3838 0.0000 0.0000 51874.6278 -110057.5184 298.1242 -161932.1462 -109685.7120 298.3500 211.2045 242.5949 759870.9041 4.3556 4.3253 PRESSURE: 2983600 -18.7559 226.117 35.5876 226.117 -397.531 -191.381 35.5883 -191.381 62.0074 GPRESSURE: 2983600 -75.7151 119.878 31.3894 186.19 -228.377 -115.913 241.233 -104.547 41.128 PRESSAVG: 2983600 7.8571 15.1407 -40.1694 15.1408 -2.19154 -32.2795 -40.1692 -32.2794 -21.8471 GPRESSAVG: 2983600 7.87604 15.7903 -41.4549 12.9303 -0.695458 -34.5592 -38.7955 -32.5804 -23.1572 TIMING: 2983600 CPU: 9429.47, 0.00316547/step Wall: 9429.47, 0.00316547/step, 1.77301 hours remaining, 239.187500 MB of memory in use. ENERGY: 2983600 4103.6519 20574.9092 14365.7769 255.1978 -203605.0665 2313.3536 0.0000 0.0000 51973.4589 -110018.7182 298.6922 -161992.1772 -109657.0819 298.9148 -118.0932 -87.6546 760652.1530 -5.3939 -5.3255 PRESSURE: 2983800 -16.5948 45.0388 139.763 45.0385 339.046 100.39 139.763 100.39 36.2363 GPRESSURE: 2983800 89.2009 120.384 249.931 -19.9067 226.608 14.0969 133.752 212.032 131.309 PRESSAVG: 2983800 -71.0115 -22.5172 42.7828 -22.5172 25.3846 -66.2066 42.7828 -66.2066 -39.9529 GPRESSAVG: 2983800 -69.9476 -22.0993 42.9766 -22.0298 23.7739 -66.0283 42.2899 -62.9495 -39.3553 TIMING: 2983800 CPU: 9430.11, 0.00316632/step Wall: 9430.11, 0.00316632/step, 1.77332 hours remaining, 239.187500 MB of memory in use. ENERGY: 2983800 4033.5324 20611.5237 14402.2283 235.7178 -203901.0137 2587.5036 0.0000 0.0000 52229.6216 -109800.8862 300.1644 -162030.5078 -109444.8343 298.8854 119.5627 149.0396 760195.1848 -28.5266 -28.5097 PRESSURE: 2984000 202.388 -58.8637 56.1508 -58.8634 31.7749 84.7872 56.151 84.7883 289.277 GPRESSURE: 2984000 209.787 -52.7088 18.6307 -34.5596 65.3514 82.7876 125.632 115.259 341.644 PRESSAVG: 2984000 -30.8821 -54.1826 17.9664 -54.1826 -13.5347 -56.4341 17.9664 -56.4341 1.78556 GPRESSAVG: 2984000 -31.4899 -54.3726 17.0121 -53.2093 -12.6968 -56.4817 15.4448 -56.6291 1.26631 TIMING: 2984000 CPU: 9430.74, 0.00316782/step Wall: 9430.74, 0.00316782/step, 1.77398 hours remaining, 239.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2984000 4022.3049 20521.6681 14398.4290 239.9109 -203670.1087 2744.0104 0.0000 0.0000 52029.0253 -109714.7601 299.0115 -161743.7854 -109353.3867 299.3501 174.4797 205.5943 760653.9286 -14.2104 -14.3068 PRESSURE: 2984200 240.699 25.9424 229.15 25.9425 115.542 48.7129 229.15 48.7156 -155.379 GPRESSURE: 2984200 231.278 9.99987 177.951 25.9516 230.741 -26.9812 84.7932 57.8769 -172.213 PRESSAVG: 2984200 -24.7378 -35.3217 -5.7333 -35.3217 0.320454 13.6967 -5.73334 13.6967 2.79596 GPRESSAVG: 2984200 -24.2403 -35.9528 -4.18191 -35.7832 0.130317 13.3772 -4.78533 12.3856 3.26657 TIMING: 2984200 CPU: 9431.37, 0.00316855/step Wall: 9431.37, 0.00316855/step, 1.77421 hours remaining, 239.187500 MB of memory in use. ENERGY: 2984200 3970.7834 20579.0180 14312.7898 243.7893 -203726.0973 2707.9472 0.0000 0.0000 52204.6178 -109707.1519 300.0207 -161911.7696 -109345.8076 299.5020 66.9539 96.6017 759781.2317 -7.2071 -6.9478 LDB: ============= START OF LOAD BALANCING ============== 9443.77 LDB: ============== END OF LOAD BALANCING =============== 9443.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9443.77 LDB: ============= START OF LOAD BALANCING ============== 9444.09 LDB: Largest compute 7031 load 0.032758 is 16.7% of average load 0.195966 LDB: Average compute 0.004397 is 2.2% of average load 0.195966 LDB: TIME 9444.09 LOAD: AVG 0.195966 MAX 0.216462 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 9444.09 LOAD: AVG 0.195966 MAX 0.216462 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 9444.09 LOAD: AVG 0.195966 MAX 0.216462 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 9444.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9444.1 PRESSURE: 2984400 -155.996 227.007 74.4997 227.006 -52.6301 -155.798 74.499 -155.798 231.283 GPRESSURE: 2984400 -126.154 223.274 90.0543 88.417 10.1382 -125.141 135.461 -259.595 245.105 PRESSAVG: 2984400 32.0106 -23.6303 18.4053 -23.6303 3.19367 -22.9947 18.4053 -22.9947 -5.81248 GPRESSAVG: 2984400 32.206 -23.7097 18.3649 -23.6069 3.15847 -22.0483 18.9596 -24.8557 -6.25754 TIMING: 2984400 CPU: 9432.02, 0.00321887/step Wall: 9432.02, 0.00321887/step, 1.80221 hours remaining, 237.640625 MB of memory in use. ENERGY: 2984400 3996.6044 20383.2648 14363.2726 269.6711 -203414.9349 2428.3407 0.0000 0.0000 51990.2983 -109983.4829 298.7890 -161973.7813 -109615.3516 299.1349 7.5523 43.0299 759826.2559 9.7973 9.7023 PRESSURE: 2984600 149.489 69.073 8.67226 69.0727 124.38 -66.5456 8.67127 -66.5454 385.157 GPRESSURE: 2984600 284.543 88.1942 -44.246 15.2707 151.984 -50.56 105.73 -149.919 326.913 PRESSAVG: 2984600 55.7301 -25.1998 36.2162 -25.1998 -27.4646 38.1881 36.2162 38.1881 -13.9713 GPRESSAVG: 2984600 56.1025 -24.8175 34.2821 -26.5913 -28.0244 38.6956 36.7009 38.3806 -13.5252 TIMING: 2984600 CPU: 9432.65, 0.00313852/step Wall: 9432.65, 0.00313852/step, 1.75705 hours remaining, 237.843750 MB of memory in use. ENERGY: 2984600 3990.6987 20608.8360 14356.1563 242.7624 -203393.3374 2492.1145 0.0000 0.0000 51873.9245 -109828.8450 298.1202 -161702.7695 -109470.0246 298.5731 219.6753 254.4800 760057.6600 4.7647 4.8510 PRESSURE: 2984800 -32.766 212.367 -237.716 212.367 -163.329 47.2918 -237.717 47.2931 245.304 GPRESSURE: 2984800 -41.322 159.168 -222.515 226.96 32.8939 102.515 -273.727 42.11 174.666 PRESSAVG: 2984800 -38.1421 22.4763 -4.21075 22.4763 35.1925 -28.0547 -4.21081 -28.0547 3.00131 GPRESSAVG: 2984800 -38.2498 21.7894 -2.89382 25.9663 36.2657 -28.5283 -7.03428 -26.3522 1.96061 TIMING: 2984800 CPU: 9433.28, 0.00315448/step Wall: 9433.28, 0.00315448/step, 1.76581 hours remaining, 237.843750 MB of memory in use. ENERGY: 2984800 3976.5145 20282.6853 14398.1985 281.2805 -202927.0314 2221.7925 0.0000 0.0000 51894.9278 -109871.6323 298.2409 -161766.5601 -109513.9243 298.8501 16.4029 55.4127 760971.0141 0.0173 -0.0078 PRESSURE: 2985000 -100.763 -168.999 98.9197 -168.999 197.798 -159.128 98.9199 -159.128 -122.892 GPRESSURE: 2985000 -53.6951 -224.839 100.488 -55.0523 163.693 -157.228 109.219 -161.886 -41.8339 PRESSAVG: 2985000 17.8952 -43.9977 -50.7883 -43.9977 -1.42343 32.7623 -50.7883 32.7623 14.0413 GPRESSAVG: 2985000 17.1008 -43.85 -50.7598 -44.8186 -1.43999 32.0746 -48.3686 29.4989 15.1212 TIMING: 2985000 CPU: 9433.91, 0.00316072/step Wall: 9433.91, 0.00316072/step, 1.76913 hours remaining, 237.843750 MB of memory in use. ENERGY: 2985000 3930.1546 20378.7805 14340.0862 256.0957 -203491.4114 2465.4473 0.0000 0.0000 52127.4609 -109993.3864 299.5772 -162120.8472 -109621.1265 298.7443 -8.6190 22.7214 759514.9871 10.1710 10.2607 PRESSURE: 2985200 -157.282 -119.325 30.0627 -119.325 -289.024 176.845 30.0634 176.843 331.656 GPRESSURE: 2985200 -95.6097 -4.36491 26.8372 -134.67 -202.235 188.485 70.3361 361.379 290.497 PRESSAVG: 2985200 30.6437 0.597359 27.862 0.59729 -13.2793 -26.9176 27.862 -26.9176 -55.6242 GPRESSAVG: 2985200 30.6851 1.6659 28.3934 -0.0421171 -12.9649 -26.8097 27.9896 -23.2406 -55.6916 TIMING: 2985200 CPU: 9434.54, 0.00314831/step Wall: 9434.54, 0.0031483/step, 1.762 hours remaining, 237.843750 MB of memory in use. ENERGY: 2985200 3988.0983 20311.3232 14459.2107 267.1786 -203253.6634 2420.1397 0.0000 0.0000 52089.9621 -109717.7507 299.3617 -161807.7128 -109347.4770 298.0667 -38.2169 -2.4490 760287.2268 -12.7532 -12.6571 PRESSURE: 2985400 -207.159 -316.415 -38.694 -316.414 -83.247 -267.661 -38.6941 -267.661 131.917 GPRESSURE: 2985400 -133.947 -333.736 -31.4107 -212.745 -49.9612 -242.194 -31.3647 -372.781 121.702 PRESSAVG: 2985400 3.78294 -37.6879 31.6327 -37.6879 13.6543 -31.1388 31.6327 -31.1388 7.40348 GPRESSAVG: 2985400 4.45615 -37.796 30.7938 -37.6976 13.7621 -31.5848 31.94 -33.1152 6.82466 TIMING: 2985400 CPU: 9435.17, 0.00315659/step Wall: 9435.17, 0.00315659/step, 1.76647 hours remaining, 237.843750 MB of memory in use. ENERGY: 2985400 3917.6932 20496.9705 14397.7258 235.5997 -203592.5024 2779.8497 0.0000 0.0000 52210.9119 -109553.7517 300.0568 -161764.6635 -109180.8667 298.8024 -52.8298 -20.7355 760612.8606 8.2802 8.3476 PRESSURE: 2985600 95.3855 26.5828 -214.105 26.5822 45.5264 -44.7838 -214.106 -44.7848 -12.0412 GPRESSURE: 2985600 119.166 -52.3595 -162.363 -34.9191 52.0489 -100.765 -178.037 -129.625 21.6876 PRESSAVG: 2985600 -0.811505 -11.1951 -29.6202 -11.1952 21.1702 -28.8438 -29.6202 -28.8438 -3.51613 GPRESSAVG: 2985600 -0.0708993 -12.0117 -28.3813 -13.412 19.285 -28.0797 -31.3883 -28.6365 -2.88026 TIMING: 2985600 CPU: 9435.8, 0.00315967/step Wall: 9435.8, 0.00315967/step, 1.76801 hours remaining, 237.843750 MB of memory in use. ENERGY: 2985600 3967.8356 20578.3525 14438.9845 228.7136 -203472.0715 2728.2712 0.0000 0.0000 51928.6461 -109601.2680 298.4346 -161529.9141 -109254.3827 299.2671 42.9569 64.3010 760919.3672 5.6142 5.4446 PRESSURE: 2985800 25.445 -121.305 -189.173 -121.304 171.75 -66.6972 -189.174 -66.6979 254.845 GPRESSURE: 2985800 15.2624 -134.479 -281.716 -61.9686 320.494 -27.8572 -40.2112 -17.8827 202.479 PRESSAVG: 2985800 7.87313 -19.0578 -11.3216 -19.0579 -10.1812 21.1115 -11.3217 21.1116 20.1154 GPRESSAVG: 2985800 6.30719 -17.9787 -12.2638 -17.4455 -7.79151 21.1062 -10.6184 21.8086 19.424 TIMING: 2985800 CPU: 9436.43, 0.00316012/step Wall: 9436.43, 0.00316012/step, 1.76809 hours remaining, 237.843750 MB of memory in use. ENERGY: 2985800 3947.7117 20675.4428 14399.0250 238.8172 -203768.0762 2637.7386 0.0000 0.0000 52347.2524 -109522.0885 300.8404 -161869.3409 -109165.2642 299.8082 150.6799 179.4120 760009.4152 5.9358 5.9799 PRESSURE: 2986000 201.669 -132.396 -14.2974 -132.396 -370.065 -42.2696 -14.2976 -42.2696 -90.9935 GPRESSURE: 2986000 188.997 -53.2971 37.3426 -235.154 -350.329 1.1791 -53.45 -157.576 -23.5623 PRESSAVG: 2986000 22.5533 13.0078 43.0502 13.0078 -5.72777 15.0147 43.0502 15.0148 11.137 GPRESSAVG: 2986000 21.2586 12.8169 42.7916 15.7154 -6.1709 15.4031 45.8784 14.1863 13.0666 TIMING: 2986000 CPU: 9437.07, 0.00315978/step Wall: 9437.07, 0.00315978/step, 1.76772 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2986000 3975.2525 20513.4276 14356.3660 245.6617 -202946.7695 2352.1486 0.0000 0.0000 51850.2666 -109653.6466 297.9842 -161503.9131 -109291.8614 298.7967 -86.4631 -61.6314 762034.1228 9.3208 9.3847 PRESSURE: 2986200 -414.231 -3.98322 0.241326 -3.98332 -415.054 12.0909 0.240283 12.0921 -302.93 GPRESSURE: 2986200 -381.595 -23.7771 77.6926 -73.3901 -400.088 -4.42302 -45.811 201.887 -254.152 PRESSAVG: 2986200 37.0847 -58.9805 36.5642 -58.9805 -98.1706 9.82984 36.5642 9.82983 -10.8906 GPRESSAVG: 2986200 38.6104 -60.0865 38.1834 -64.5713 -98.4865 10.096 34.7305 9.33215 -12.347 TIMING: 2986200 CPU: 9437.7, 0.00317147/step Wall: 9437.7, 0.00317146/step, 1.77408 hours remaining, 237.843750 MB of memory in use. ENERGY: 2986200 4010.0083 20387.5338 14423.3281 259.4393 -202585.9023 1832.3763 0.0000 0.0000 51785.5929 -109887.6236 297.6125 -161673.2165 -109520.1248 297.7639 -377.4050 -345.2782 762632.2457 -23.9922 -24.0744 PRESSURE: 2986400 267.469 -21.7519 56.3161 -21.7523 -165.908 -48.9338 56.3163 -48.933 453.256 GPRESSURE: 2986400 272.529 -97.3509 107.684 9.38525 -100.555 -66.7471 44.5347 -55.535 456.558 PRESSAVG: 2986400 67.4165 0.374635 62.0243 0.374653 -37.9223 -3.25861 62.0243 -3.25861 11.5065 GPRESSAVG: 2986400 69.0415 -0.530288 61.0699 3.84864 -39.0085 -3.37312 63.2552 -2.83756 11.1824 TIMING: 2986400 CPU: 9438.33, 0.00314753/step Wall: 9438.33, 0.00314753/step, 1.76052 hours remaining, 237.843750 MB of memory in use. ENERGY: 2986400 3910.7127 20469.0718 14420.9004 238.7947 -203211.6248 2444.8931 0.0000 0.0000 52007.8327 -109719.4193 298.8897 -161727.2521 -109358.5180 298.4615 184.9389 209.5108 760381.9321 13.6669 13.7385 PRESSURE: 2986600 129.136 116.689 152.551 116.688 176.7 98.3832 152.551 98.3838 95.7885 GPRESSURE: 2986600 238.915 155.494 108.135 103.845 159.919 91.9371 113.542 193.82 103.448 PRESSAVG: 2986600 3.99479 1.86035 64.2212 1.86036 -57.1221 25.5704 64.2212 25.5704 13.6837 GPRESSAVG: 2986600 2.15675 4.30785 64.2302 0.751432 -56.2355 26.0452 60.8626 25.215 14.079 TIMING: 2986600 CPU: 9438.96, 0.00315896/step Wall: 9438.96, 0.00315896/step, 1.76674 hours remaining, 237.843750 MB of memory in use. ENERGY: 2986600 3915.0519 20282.6465 14428.0962 252.3772 -202988.5651 2361.9096 0.0000 0.0000 52089.7410 -109658.7426 299.3605 -161748.4836 -109286.8769 298.6633 133.8747 167.4274 761188.6516 -13.1478 -13.3333 PRESSURE: 2986800 -24.2766 2.4473 -123.13 2.44785 -147.742 127.379 -123.13 127.379 218.697 GPRESSURE: 2986800 6.50368 86.2134 -110.522 -31.1787 -31.395 168.294 -132.493 155.248 158.627 PRESSAVG: 2986800 31.2537 12.6561 20.8329 12.656 0.335543 8.18289 20.8329 8.18287 -13.5707 GPRESSAVG: 2986800 31.4451 11.8192 20.894 13.9768 2.25905 6.94494 22.3072 9.22632 -15.0147 TIMING: 2986800 CPU: 9439.59, 0.00315297/step Wall: 9439.59, 0.00315297/step, 1.76321 hours remaining, 237.843750 MB of memory in use. ENERGY: 2986800 4053.4982 20464.9378 14410.3611 248.3172 -202945.2001 2279.0784 0.0000 0.0000 51996.9657 -109492.0417 298.8273 -161489.0073 -109128.2065 299.1476 15.5597 44.5785 761268.5747 6.0062 6.2298 PRESSURE: 2987000 177.735 -72.9019 -70.7621 -72.9024 -75.0024 127.938 -70.7614 127.938 -398.916 GPRESSURE: 2987000 174.883 -168.697 -3.33246 -99.8668 -70.0809 103.183 -11.5827 207.52 -319.251 PRESSAVG: 2987000 32.7838 -29.1747 -1.5372 -29.1747 -4.74933 -1.85028 -1.53717 -1.85023 8.0533 GPRESSAVG: 2987000 33.5442 -28.6978 -1.7754 -31.8629 -7.56406 -0.819116 -1.05244 -3.15532 9.84623 TIMING: 2987000 CPU: 9440.22, 0.00315901/step Wall: 9440.22, 0.00315901/step, 1.76641 hours remaining, 237.843750 MB of memory in use. ENERGY: 2987000 3980.2001 20576.3531 14399.4500 232.2047 -203481.3451 2607.3621 0.0000 0.0000 52062.5003 -109623.2749 299.2039 -161685.7752 -109257.1227 299.4516 -98.7280 -71.4829 760744.2403 12.0293 11.9421 PRESSURE: 2987200 -49.5209 -95.8526 73.5967 -95.8539 -189.219 -173.713 73.5973 -173.712 453.544 GPRESSURE: 2987200 -41.2024 -74.8911 87.6647 -35.8254 -73.8476 -253.166 131.925 -136.448 427.676 PRESSAVG: 2987200 19.8107 -2.2285 2.0616 -2.22851 -89.9294 4.95442 2.06155 4.95436 6.86968 GPRESSAVG: 2987200 20.0235 -4.95572 2.67821 -0.0235762 -88.7093 4.09489 3.31508 4.74502 4.82401 TIMING: 2987200 CPU: 9440.86, 0.00316816/step Wall: 9440.86, 0.00316816/step, 1.77135 hours remaining, 237.843750 MB of memory in use. ENERGY: 2987200 3951.3404 20590.9213 14426.8593 262.1027 -203590.9868 2486.8856 0.0000 0.0000 52100.5033 -109772.3742 299.4223 -161872.8774 -109410.6015 298.9506 71.6012 104.2086 760058.7926 -21.0830 -21.2873 PRESSURE: 2987400 73.0026 222.248 56.9512 222.249 -146.764 397.054 56.9511 397.053 -447.13 GPRESSURE: 2987400 143.025 248.004 30.8878 149.794 -173.572 429.392 49.2665 423.529 -402.988 PRESSAVG: 2987400 26.3859 4.24579 35.8401 4.24572 -17.3733 -51.0474 35.8401 -51.0475 -12.9529 GPRESSAVG: 2987400 25.503 6.39354 35.1213 5.26955 -18.0289 -51.4889 33.8793 -52.4503 -11.3756 TIMING: 2987400 CPU: 9441.49, 0.00316525/step Wall: 9441.49, 0.00316525/step, 1.76955 hours remaining, 237.843750 MB of memory in use. ENERGY: 2987400 3995.9989 20509.0251 14474.2222 248.2965 -203355.5890 2360.5914 0.0000 0.0000 52068.2215 -109699.2334 299.2368 -161767.4549 -109335.4868 299.5622 -173.6304 -144.5117 760510.3810 -1.3135 -1.3005 PRESSURE: 2987600 -284.321 -119.624 -64.4916 -119.623 -275.125 -133.824 -64.4913 -133.823 -114.046 GPRESSURE: 2987600 -228.783 -125.356 -58.6737 -153.439 -274.245 -103.008 -5.49229 -33.3808 -72.1336 PRESSAVG: 2987600 -34.1027 -51.3211 45.6996 -51.3211 56.8794 -22.2332 45.6995 -22.2332 -1.91073 GPRESSAVG: 2987600 -34.5349 -52.6955 45.3973 -53.5393 57.3307 -21.548 47.5595 -20.8577 -2.02496 TIMING: 2987600 CPU: 9442.12, 0.00316455/step Wall: 9442.12, 0.00316455/step, 1.76898 hours remaining, 237.843750 MB of memory in use. ENERGY: 2987600 4051.7344 20436.1880 14448.3501 231.4073 -203535.7003 2621.8984 0.0000 0.0000 52069.0626 -109677.0597 299.2416 -161746.1223 -109311.0108 298.9545 -224.4975 -191.7206 760773.9931 6.9553 6.9236 PRESSURE: 2987800 121.449 -92.1412 57.4662 -92.1419 32.6578 -33.8462 57.4674 -33.8461 330.914 GPRESSURE: 2987800 142.61 -118.295 185.607 -20.5192 158.428 -10.0616 1.15516 7.00205 285.391 PRESSAVG: 2987800 -1.03969 -92.0343 41.0661 -92.0342 34.0818 -15.4392 41.0661 -15.4392 20.8702 GPRESSAVG: 2987800 -0.965923 -92.2943 41.9405 -89.7241 34.5374 -17.0991 41.2049 -14.1578 20.2632 TIMING: 2987800 CPU: 9442.75, 0.00314665/step Wall: 9442.75, 0.00314665/step, 1.7588 hours remaining, 237.843750 MB of memory in use. ENERGY: 2987800 3906.1941 20668.9255 14452.6010 250.1134 -203452.0032 2696.2711 0.0000 0.0000 52204.8068 -109273.0912 300.0217 -161477.8980 -108912.3421 299.6591 161.6734 195.4763 760278.8634 17.9708 17.9449 PRESSURE: 2988000 -192.385 98.9756 138.167 98.9764 -127.322 46.1597 138.167 46.161 74.7506 GPRESSURE: 2988000 -127.752 148.909 132.066 -19.5345 -82.5074 -0.305349 260.88 78.6465 57.494 PRESSAVG: 2988000 21.3653 -48.8127 38.173 -48.8127 -17.4409 -12.3878 38.1731 -12.3878 12.5734 GPRESSAVG: 2988000 22.2208 -47.4771 38.9519 -48.7666 -17.9146 -9.29238 35.9573 -13.7955 12.0495 TIMING: 2988000 CPU: 9443.38, 0.00315847/step Wall: 9443.38, 0.00315847/step, 1.76524 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2988000 3982.5432 20702.2145 14496.2667 248.3612 -203184.2509 2392.3876 0.0000 0.0000 52275.6147 -109086.8629 300.4287 -161362.4776 -108728.5097 300.0535 -81.6521 -50.9219 760716.3378 5.4993 5.4519 PRESSURE: 2988200 -58.5959 -30.9194 172.877 -30.9196 169.712 56.2336 172.877 56.2339 389.008 GPRESSURE: 2988200 86.0526 -15.255 182.444 28.59 100.693 19.3465 75.7558 117.849 392.949 PRESSAVG: 2988200 -11.3872 -27.201 13.7331 -27.201 33.461 6.13275 13.7331 6.13277 0.913202 GPRESSAVG: 2988200 -11.4561 -26.9743 11.6851 -28.2003 34.0891 4.50639 14.2535 5.22545 0.762741 TIMING: 2988200 CPU: 9444.02, 0.00316352/step Wall: 9444.02, 0.00316352/step, 1.76788 hours remaining, 237.843750 MB of memory in use. ENERGY: 2988200 3961.1193 20738.9820 14452.1445 226.5919 -203549.9126 2664.3300 0.0000 0.0000 52479.9316 -109026.8132 301.6029 -161506.7449 -108652.9579 300.7263 166.7078 193.2316 760533.2296 7.6623 7.7986 LDB: ============= START OF LOAD BALANCING ============== 9456.42 LDB: ============== END OF LOAD BALANCING =============== 9456.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9456.42 LDB: ============= START OF LOAD BALANCING ============== 9456.73 LDB: Largest compute 7059 load 0.032984 is 16.8% of average load 0.196072 LDB: Average compute 0.004427 is 2.3% of average load 0.196072 LDB: TIME 9456.74 LOAD: AVG 0.196072 MAX 0.215065 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 9456.74 LOAD: AVG 0.196072 MAX 0.215065 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.539 MB LDB: TIME 9456.74 LOAD: AVG 0.196072 MAX 0.215065 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.539 MB LDB: ============== END OF LOAD BALANCING =============== 9456.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9456.74 PRESSURE: 2988400 -64.6376 47.0912 214.742 47.0904 -215.992 -54.8191 214.742 -54.8182 -395.382 GPRESSURE: 2988400 8.90636 25.2106 187.279 -60.4095 -197.534 4.23744 153.934 -188.636 -368.11 PRESSAVG: 2988400 31.6734 -59.7217 39.4859 -59.7217 -45.6582 12.6604 39.4859 12.6604 -5.97715 GPRESSAVG: 2988400 32.6303 -59.0078 39.435 -59.381 -45.4074 12.7742 37.8886 11.8965 -6.66448 TIMING: 2988400 CPU: 9444.66, 0.00321514/step Wall: 9444.66, 0.00321514/step, 1.79655 hours remaining, 237.843750 MB of memory in use. ENERGY: 2988400 4046.5688 20693.1842 14451.6455 227.1538 -203079.8961 2193.9265 0.0000 0.0000 52351.1220 -109116.2953 300.8626 -161467.4173 -108752.8071 300.9534 -225.3373 -185.5790 761028.6253 -6.6540 -6.4805 PRESSURE: 2988600 -228.445 -1.15115 -122.893 -1.15114 152.229 53.6325 -122.893 53.6333 2.44904 GPRESSURE: 2988600 -128.194 85.2097 -84.982 -66.9718 92.629 44.4647 -44.223 -15.4833 31.4346 PRESSAVG: 2988600 21.9066 -33.6275 53.3011 -33.6274 18.7778 -20.1621 53.3011 -20.1621 -6.84229 GPRESSAVG: 2988600 21.8489 -33.4356 53.1032 -34.1873 18.1013 -20.2444 56.3678 -19.0299 -6.30641 TIMING: 2988600 CPU: 9445.29, 0.00313902/step Wall: 9445.29, 0.00313902/step, 1.75384 hours remaining, 237.843750 MB of memory in use. ENERGY: 2988600 4066.0038 20691.8498 14449.0701 249.1043 -203544.5735 2515.0392 0.0000 0.0000 52324.6237 -109248.8825 300.7103 -161573.5062 -108897.5001 300.9106 -24.5887 -1.3767 758319.4142 11.2807 11.2146 PRESSURE: 2988800 -339.959 24.7694 -4.68828 24.7692 348.618 -17.6422 -4.6879 -17.6417 69.8947 GPRESSURE: 2988800 -190.966 3.72243 -16.9809 60.3423 252.901 21.6014 39.7337 33.1542 103.643 PRESSAVG: 2988800 6.33329 19.6645 -4.32935 19.6645 -33.1648 23.6033 -4.32933 23.6033 22.393 GPRESSAVG: 2988800 5.83826 18.5179 -3.74075 19.3829 -34.1974 23.258 -5.61808 24.2465 24.3197 TIMING: 2988800 CPU: 9445.91, 0.00313425/step Wall: 9445.91, 0.00313425/step, 1.751 hours remaining, 237.843750 MB of memory in use. ENERGY: 2988800 4015.9256 20533.1574 14443.0670 243.1919 -203340.3214 2526.0639 0.0000 0.0000 52150.3749 -109428.5407 299.7089 -161578.9157 -109063.7275 300.6472 26.1844 55.1928 759141.5009 -1.4795 -1.3465 PRESSURE: 2989000 -241.053 -190.679 -13.7697 -190.679 21.7572 -250.252 -13.7702 -250.252 -99.5473 GPRESSURE: 2989000 -212.406 -142.044 -21.8577 -122.841 32.3613 -208.466 14.8814 -141.989 -57.0869 PRESSAVG: 2989000 17.4359 -24.0702 2.33097 -24.0701 -0.0626089 -37.2224 2.33098 -37.2225 -7.54891 GPRESSAVG: 2989000 16.8317 -24.2649 2.9525 -21.9019 1.27288 -38.0761 2.76005 -37.011 -8.46825 TIMING: 2989000 CPU: 9446.54, 0.00315214/step Wall: 9446.54, 0.00315214/step, 1.76082 hours remaining, 237.843750 MB of memory in use. ENERGY: 2989000 3933.4085 20547.3472 14375.1764 247.8816 -203036.5696 2171.3617 0.0000 0.0000 52363.6629 -109397.7314 300.9347 -161761.3942 -109034.4230 300.0761 -106.2810 -79.0437 760146.0621 3.2748 3.2121 PRESSURE: 2989200 182.84 148.514 -149.386 148.515 20.6746 87.6579 -149.385 87.6569 -366.081 GPRESSURE: 2989200 115.166 89.4254 -114.889 127.311 55.3964 47.5272 -131.572 224.231 -246.423 PRESSAVG: 2989200 16.2791 38.3479 -55.1971 38.3479 -20.0457 -42.6406 -55.1971 -42.6406 -9.21117 GPRESSAVG: 2989200 16.9923 40.6034 -55.5663 36.0302 -20.5816 -42.7285 -55.9577 -40.5058 -9.56733 TIMING: 2989200 CPU: 9447.17, 0.00314141/step Wall: 9447.17, 0.0031414/step, 1.75465 hours remaining, 237.843750 MB of memory in use. ENERGY: 2989200 4021.8010 20614.5021 14449.4673 229.4906 -203009.9985 2273.2351 0.0000 0.0000 52063.0522 -109358.4501 299.2071 -161421.5023 -108991.4943 300.3636 -54.1890 -25.2867 758605.4872 -4.3259 -4.3856 PRESSURE: 2989400 -220.138 116.737 -95.2867 116.738 19.1884 200.259 -95.2868 200.259 114.314 GPRESSURE: 2989400 -194.234 212.299 -8.73878 33.8799 37.0636 120.868 -43.0798 74.4726 163.405 PRESSAVG: 2989400 17.9344 0.604804 10.0558 0.604841 6.5785 30.1963 10.0559 30.1962 -6.42883 GPRESSAVG: 2989400 17.6437 0.870317 11.8602 0.322006 6.77403 31.5103 9.38342 28.6883 -6.50262 TIMING: 2989400 CPU: 9447.8, 0.00313766/step Wall: 9447.8, 0.00313766/step, 1.75238 hours remaining, 237.843750 MB of memory in use. ENERGY: 2989400 4029.0044 20785.8290 14408.7784 226.3721 -203300.2912 2553.7358 0.0000 0.0000 51870.2772 -109426.2943 298.0992 -161296.5715 -109063.0906 300.3985 -28.8786 2.0783 759396.2233 6.0280 5.9717 PRESSURE: 2989600 -199.715 -232.483 1.37603 -232.483 -231.924 12.7752 1.37655 12.7758 22.1284 GPRESSURE: 2989600 -96.9409 -194.231 -13.7074 -116.948 -297.789 -36.6648 -16.1202 -38.0942 84.9953 PRESSAVG: 2989600 -16.6675 -21.4526 -10.447 -21.4525 -19.8689 -39.3649 -10.447 -39.365 -7.09669 GPRESSAVG: 2989600 -17.2894 -26.3123 -12.062 -19.862 -19.0069 -39.0829 -8.62407 -40.9904 -6.95523 TIMING: 2989600 CPU: 9448.43, 0.00317108/step Wall: 9448.43, 0.00317108/step, 1.77087 hours remaining, 237.843750 MB of memory in use. ENERGY: 2989600 4024.7122 20632.1212 14436.5308 236.8817 -203401.8591 2600.7178 0.0000 0.0000 52284.9639 -109185.9316 300.4824 -161470.8955 -108831.5682 300.0371 -136.5035 -103.2450 759371.0968 -14.5444 -14.4172 PRESSURE: 2989800 -96.2713 45.5616 96.2198 45.5633 -40.808 5.57832 96.2192 5.5787 -58.6625 GPRESSURE: 2989800 -32.2101 21.7461 97.8592 31.9499 4.69378 -35.1305 77.9718 85.952 -58.3062 PRESSAVG: 2989800 15.8363 -65.6084 -1.47172 -65.6084 4.0747 -14.4916 -1.47165 -14.4915 25.0002 GPRESSAVG: 2989800 16.8835 -62.8114 -1.36924 -66.5983 4.01311 -14.6894 -3.66069 -15.2164 23.8436 TIMING: 2989800 CPU: 9449.07, 0.00316478/step Wall: 9449.07, 0.00316478/step, 1.76718 hours remaining, 237.843750 MB of memory in use. ENERGY: 2989800 4013.3847 20429.2674 14420.2482 260.0825 -203568.5032 2722.3843 0.0000 0.0000 52467.4664 -109255.6697 301.5313 -161723.1361 -108883.2801 300.3667 -65.2473 -28.6075 759591.5525 14.9704 14.9134 PRESSURE: 2990000 81.5387 -99.8929 106.914 -99.8932 -60.095 28.0232 106.913 28.0232 -260.634 GPRESSURE: 2990000 18.7425 -83.823 226.712 -307.161 59.7789 -72.0722 35.7628 133.412 -229.267 PRESSAVG: 2990000 -70.5024 -7.04875 -1.69792 -7.04878 69.5033 -41.6089 -1.69795 -41.6088 -18.3036 GPRESSAVG: 2990000 -70.742 -6.29114 -0.781089 -9.75709 69.8323 -42.5398 -2.95151 -39.3755 -17.9084 TIMING: 2990000 CPU: 9449.7, 0.00315175/step Wall: 9449.7, 0.00315175/step, 1.75973 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2990000 4045.4523 20528.5829 14414.0274 259.1261 -202993.6926 2245.1570 0.0000 0.0000 52000.0576 -109501.2892 298.8450 -161501.3469 -109134.1373 300.4291 -79.7301 -50.2487 760277.8102 -6.4342 -6.2727 PRESSURE: 2990200 82.413 -256.247 -179.049 -256.247 -366.288 -3.49506 -179.048 -3.49514 -41.4633 GPRESSURE: 2990200 124.738 -194.823 -56.9195 -52.0013 -350.513 71.5507 -337.451 -5.47911 -33.9561 PRESSAVG: 2990200 105.151 7.30673 -53.602 7.3067 -81.5532 1.77515 -53.602 1.77521 5.00599 GPRESSAVG: 2990200 105.446 5.05507 -53.5763 12.2353 -81.1822 2.84391 -51.5216 1.263 4.97122 TIMING: 2990200 CPU: 9450.33, 0.0031525/step Wall: 9450.33, 0.0031525/step, 1.75997 hours remaining, 237.843750 MB of memory in use. ENERGY: 2990200 4003.6864 20584.4859 14419.3901 242.0109 -204042.1815 2752.0293 0.0000 0.0000 52437.5077 -109603.0712 301.3591 -162040.5790 -109234.4738 299.6938 -108.4461 -86.5774 759572.3669 9.5345 9.7452 PRESSURE: 2990400 -97.9738 -91.3655 -159.503 -91.3654 -25.8702 149.732 -159.503 149.731 -196.891 GPRESSURE: 2990400 -40.6339 -138.247 -99.1508 -44.6525 -14.65 138.934 -173.657 139.19 -193.603 PRESSAVG: 2990400 -20.8683 -4.87858 -45.613 -4.87855 -19.9045 1.77434 -45.6129 1.77433 4.8343 GPRESSAVG: 2990400 -20.5392 -2.84284 -46.0276 -8.41761 -20.8162 0.997685 -48.5173 -0.38384 5.47539 TIMING: 2990400 CPU: 9450.96, 0.00315026/step Wall: 9450.96, 0.00315026/step, 1.75854 hours remaining, 237.843750 MB of memory in use. ENERGY: 2990400 4036.6291 20548.4172 14467.3108 253.1548 -203434.3577 2471.2321 0.0000 0.0000 52270.3344 -109387.2791 300.3983 -161657.6136 -109020.7024 300.1455 -106.9117 -82.9623 759727.7922 -11.9795 -11.9600 PRESSURE: 2990600 359.371 -93.0418 -243.652 -93.042 280.554 100.878 -243.652 100.877 576.836 GPRESSURE: 2990600 329.002 -136.626 -222.992 -32.2057 388.786 23.9798 -99.9176 237.298 599.945 PRESSAVG: 2990600 27.4283 -0.0683333 -12.3051 -0.0683416 24.0946 58.112 -12.3051 58.1119 4.75132 GPRESSAVG: 2990600 27.7181 -2.19798 -13.6182 2.40396 23.5013 59.5138 -11.8287 58.2395 4.70473 TIMING: 2990600 CPU: 9451.59, 0.0031479/step Wall: 9451.59, 0.00314789/step, 1.75705 hours remaining, 237.843750 MB of memory in use. ENERGY: 2990600 3978.7823 20548.3127 14431.1191 252.5168 -203244.2372 2688.3188 0.0000 0.0000 52004.7186 -109340.4689 298.8718 -161345.1875 -108978.1269 300.3357 405.5867 439.2444 758984.1116 18.7580 18.6414 PRESSURE: 2990800 -124.431 -201.699 -227.258 -201.698 -567.584 123.802 -227.259 123.802 248.808 GPRESSURE: 2990800 -83.0585 -166.491 -139.436 -175.929 -549.66 0.632131 -257.356 214.223 276.159 PRESSAVG: 2990800 57.2847 -17.615 -19.0191 -17.6149 -44.322 20.3365 -19.0191 20.3366 -0.74752 GPRESSAVG: 2990800 56.2726 -15.9625 -18.3349 -17.9779 -43.1641 19.756 -17.6543 20.2555 -0.626604 TIMING: 2990800 CPU: 9452.23, 0.00318626/step Wall: 9452.23, 0.00318627/step, 1.77829 hours remaining, 237.843750 MB of memory in use. ENERGY: 2990800 4053.2064 20552.1569 14476.2973 228.4187 -202911.0715 2358.4927 0.0000 0.0000 52087.3168 -109155.1828 299.3465 -161242.4996 -108792.2242 300.4492 -147.7358 -118.8530 760330.6451 4.0717 4.1606 PRESSURE: 2991000 3.63212 -243.753 -81.1395 -243.753 -32.6674 -164.031 -81.1386 -164.03 264.013 GPRESSURE: 2991000 91.2745 -172.907 -90.705 -273.232 7.63084 -67.0971 -200.607 -45.3218 220.506 PRESSAVG: 2991000 -15.7326 -57.3541 38.447 -57.3541 0.053765 26.3771 38.447 26.377 -5.45156 GPRESSAVG: 2991000 -15.5219 -56.251 38.626 -58.0377 -0.100114 27.2213 36.8212 29.0632 -6.1293 TIMING: 2991000 CPU: 9452.86, 0.00316506/step Wall: 9452.86, 0.00316506/step, 1.76628 hours remaining, 237.843750 MB of memory in use. ENERGY: 2991000 3948.7768 20581.9064 14471.5599 237.5534 -202652.2844 2211.6693 0.0000 0.0000 52146.9140 -109053.9046 299.6890 -161200.8185 -108688.3955 300.2623 78.3259 106.4705 760657.1024 -7.0435 -7.2504 PRESSURE: 2991200 -318.286 -91.4606 72.6769 -91.4608 -228.319 -31.1426 72.677 -31.1432 70.845 GPRESSURE: 2991200 -246.709 -31.1228 66.2709 -57.2597 -257.312 15.1141 114.294 -14.0643 116.325 PRESSAVG: 2991200 45.7979 -29.4558 -64.1896 -29.4558 -14.0013 31.2127 -64.1896 31.2127 0.0162691 GPRESSAVG: 2991200 45.2927 -28.4706 -63.3862 -27.6612 -13.9943 30.6319 -66.1904 30.0075 0.595809 TIMING: 2991200 CPU: 9453.49, 0.00314569/step Wall: 9453.49, 0.00314569/step, 1.75529 hours remaining, 237.843750 MB of memory in use. ENERGY: 2991200 4017.6891 20618.0650 14480.7773 255.9788 -202958.5984 2315.3361 0.0000 0.0000 52357.5448 -108913.2073 300.8995 -161270.7520 -108554.1120 300.7215 -158.5867 -129.2321 760248.0494 10.6043 10.6314 PRESSURE: 2991400 -170.073 173.155 -121.84 173.156 97.1259 228.929 -121.842 228.93 -17.7025 GPRESSURE: 2991400 -71.9169 103.463 -109.122 186.656 97.8395 293.672 -33.6307 164.998 -42.2438 PRESSAVG: 2991400 63.5396 16.8315 -4.73562 16.8315 -65.9365 69.5941 -4.73563 69.5941 -13.7064 GPRESSAVG: 2991400 64.4152 15.752 -5.8514 16.4815 -67.1631 69.8144 -2.08718 70.1583 -13.652 TIMING: 2991400 CPU: 9454.12, 0.00316821/step Wall: 9454.12, 0.00316821/step, 1.76768 hours remaining, 237.843750 MB of memory in use. ENERGY: 2991400 4078.2313 20648.8702 14328.0747 239.1470 -202838.0821 2314.3739 0.0000 0.0000 52314.6878 -108914.6971 300.6532 -161229.3849 -108564.5981 300.5590 -30.2165 -5.4404 760692.0612 -5.3678 -5.4666 PRESSURE: 2991600 -182.314 13.245 -128.84 13.2445 127.165 -58.2847 -128.84 -58.2848 -262.992 GPRESSURE: 2991600 -138.451 47.2906 -97.0549 -38.8803 161.558 -44.2784 -62.9815 -101.709 -247.653 PRESSAVG: 2991600 -4.42351 27.6701 -29.213 27.67 -25.2873 47.3163 -29.213 47.3164 3.05804 GPRESSAVG: 2991600 -4.65063 26.1452 -28.0549 27.4438 -24.6096 49.8357 -29.8946 46.3883 2.91562 TIMING: 2991600 CPU: 9454.76, 0.00317781/step Wall: 9454.76, 0.00317781/step, 1.77286 hours remaining, 237.843750 MB of memory in use. ENERGY: 2991600 3979.8338 20537.0445 14384.2155 245.8487 -203268.6472 2582.8004 0.0000 0.0000 52357.9585 -109180.9458 300.9019 -161538.9044 -108810.1310 300.5878 -106.0472 -74.8485 758959.4703 -8.8842 -8.7815 PRESSURE: 2991800 -154.452 -97.3964 67.2785 -97.3965 101.856 -51.9049 67.278 -51.9061 -1.80363 GPRESSURE: 2991800 -146.932 -26.2014 53.1966 19.627 145.247 -134.112 -12.805 -196.604 38.5781 PRESSAVG: 2991800 -23.3874 -51.0102 -13.6369 -51.0102 27.3935 -17.6343 -13.637 -17.6344 8.02887 GPRESSAVG: 2991800 -23.1099 -49.2246 -14.2266 -51.3689 26.6626 -20.3508 -15.236 -16.9421 8.14886 TIMING: 2991800 CPU: 9455.39, 0.00314668/step Wall: 9455.39, 0.00314668/step, 1.75532 hours remaining, 237.843750 MB of memory in use. ENERGY: 2991800 4108.3190 20506.4442 14348.9171 265.7667 -202690.0337 2367.6132 0.0000 0.0000 51777.8424 -109315.1311 297.5680 -161092.9735 -108951.6535 299.8710 -18.1330 12.2975 759627.4757 4.0117 3.9005 PRESSURE: 2992000 -101.621 60.9427 -2.71184 60.9426 -301.532 231.587 -2.71271 231.587 60.7592 GPRESSURE: 2992000 -47.8599 -2.02398 -27.5771 99.3285 -219.247 240.806 -9.66419 130.67 15.5772 PRESSAVG: 2992000 15.9844 -33.6373 1.81981 -33.6373 -8.79191 15.6793 1.81989 15.6793 -18.7142 GPRESSAVG: 2992000 15.8405 -34.7931 1.07434 -31.0351 -8.88879 14.6313 2.77926 16.7065 -18.2427 TIMING: 2992000 CPU: 9456.01, 0.00313217/step Wall: 9456.01, 0.00313217/step, 1.74706 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2992000 4009.7571 20573.4475 14338.0478 240.3526 -202891.0618 2078.0542 0.0000 0.0000 52260.9561 -109390.4465 300.3444 -161651.4026 -109024.2345 299.6834 -114.1313 -83.8432 760464.3494 -3.8406 -3.7637 PRESSURE: 2992200 130.072 153.497 -49.1071 153.496 -331.707 -110.99 -49.1071 -110.99 -196.251 GPRESSURE: 2992200 122.731 269.561 -12.0367 177.205 -231.488 -56.2143 -48.5809 -74.4773 -183.585 PRESSAVG: 2992200 87.6983 3.10545 18.8952 3.10547 -46.02 36.0002 18.8953 36.0002 20.7515 GPRESSAVG: 2992200 87.6556 3.79826 20.414 -0.717985 -45.5547 37.9569 18.0728 35.0747 20.097 TIMING: 2992200 CPU: 9456.64, 0.00314755/step Wall: 9456.64, 0.00314755/step, 1.75546 hours remaining, 237.843750 MB of memory in use. ENERGY: 2992200 3927.0274 20571.2938 14344.5846 241.3881 -203004.6983 2339.4238 0.0000 0.0000 52253.3532 -109327.6275 300.3007 -161580.9807 -108963.4990 299.8033 -132.6289 -97.4474 759523.7545 20.8099 20.7327 LDB: ============= START OF LOAD BALANCING ============== 9469.04 LDB: ============== END OF LOAD BALANCING =============== 9469.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9469.04 LDB: ============= START OF LOAD BALANCING ============== 9469.36 LDB: Largest compute 7031 load 0.032877 is 16.8% of average load 0.196034 LDB: Average compute 0.004393 is 2.2% of average load 0.196034 LDB: TIME 9469.36 LOAD: AVG 0.196034 MAX 0.214302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9469.36 LOAD: AVG 0.196034 MAX 0.214302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 9469.36 LOAD: AVG 0.196034 MAX 0.214302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 9469.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9469.37 PRESSURE: 2992400 421.047 33.9227 -360.619 33.9223 275.667 109.91 -360.618 109.908 357.008 GPRESSURE: 2992400 377.946 92.1101 -322.405 25.7833 342.244 102.522 -314.119 43.2257 428.702 PRESSAVG: 2992400 17.3968 -23.7053 -21.2992 -23.7052 -18.3597 16.659 -21.2992 16.659 2.52809 GPRESSAVG: 2992400 17.0197 -23.0906 -22.3077 -24.5812 -17.6939 16.7302 -18.2162 15.2985 2.06649 TIMING: 2992400 CPU: 9457.29, 0.00323316/step Wall: 9457.29, 0.00323316/step, 1.80303 hours remaining, 237.640625 MB of memory in use. ENERGY: 2992400 4049.2933 20470.2302 14389.3487 240.5500 -203666.3049 2820.5835 0.0000 0.0000 52366.2113 -109330.0879 300.9493 -161696.2992 -108959.5002 299.6787 351.2405 382.9641 759009.1981 0.5217 0.4641 PRESSURE: 2992600 -202.334 71.5722 11.0693 71.5725 -240.678 -58.4198 11.0689 -58.4204 -268.024 GPRESSURE: 2992600 -138.303 54.537 -3.82412 -5.51235 -216.474 -130.539 -58.9647 -104.75 -273.413 PRESSAVG: 2992600 35.6702 -77.5926 -11.478 -77.5927 -72.2826 -8.42393 -11.478 -8.42394 -10.0546 GPRESSAVG: 2992600 33.9302 -77.8546 -12.5461 -77.4037 -70.7042 -9.6008 -13.8807 -7.42685 -10.1175 TIMING: 2992600 CPU: 9457.92, 0.00317522/step Wall: 9457.92, 0.00317522/step, 1.77054 hours remaining, 237.640625 MB of memory in use. ENERGY: 2992600 4019.7781 20676.7913 14415.6202 240.8192 -202782.9270 2143.1357 0.0000 0.0000 51914.2180 -109372.5645 298.3517 -161286.7825 -109013.0095 299.4811 -237.0120 -209.3966 762085.1308 -15.5556 -15.6305 PRESSURE: 2992800 -34.5788 -57.5031 327.892 -57.5031 -6.15029 65.3644 327.892 65.365 -65.2462 GPRESSURE: 2992800 88.2204 54.4744 214.092 -113.502 -75.4045 140.95 244.156 17.9466 -11.0359 PRESSAVG: 2992800 4.52891 1.23994 13.882 1.23997 -9.04807 -1.73595 13.882 -1.736 -0.304056 GPRESSAVG: 2992800 6.72111 1.13915 16.2658 4.47085 -11.6572 -1.99106 15.4858 -1.5584 0.289848 TIMING: 2992800 CPU: 9458.56, 0.00316082/step Wall: 9458.56, 0.00316082/step, 1.76233 hours remaining, 237.640625 MB of memory in use. ENERGY: 2992800 3974.1606 20548.4600 14332.0636 221.1281 -203773.0436 2769.4377 0.0000 0.0000 52417.7250 -109510.0687 301.2454 -161927.7937 -109143.9227 299.5907 -35.3251 0.5933 759226.4701 -1.6077 -1.5487 PRESSURE: 2993000 410.456 -33.6116 -24.4043 -33.6113 -11.2001 90.8991 -24.4034 90.8997 158.28 GPRESSURE: 2993000 434.426 -85.3372 16.8905 -30.3256 34.1842 91.4431 -134.814 27.2072 202.094 PRESSAVG: 2993000 51.7909 -35.5218 32.6007 -35.5218 -35.3653 -6.70058 32.6006 -6.70059 22.1905 GPRESSAVG: 2993000 52.1238 -37.5826 31.5396 -36.1552 -34.7279 -6.52284 31.5711 -8.40183 20.551 TIMING: 2993000 CPU: 9459.19, 0.00317557/step Wall: 9459.19, 0.00317557/step, 1.77038 hours remaining, 237.640625 MB of memory in use. ENERGY: 2993000 3976.5587 20700.4113 14426.2713 247.9594 -203479.3939 2641.0773 0.0000 0.0000 52056.6076 -109430.5083 299.1700 -161487.1159 -109067.7250 299.8533 185.8455 223.5681 759572.4356 12.8720 12.6490 PRESSURE: 2993200 -192.375 -125.246 135.252 -125.246 76.7715 206.792 135.253 206.793 22.6858 GPRESSURE: 2993200 -125.418 -6.95309 151.631 -122.614 76.5961 202.772 121.392 244.116 43.6649 PRESSAVG: 2993200 -11.2185 -38.6009 -15.0088 -38.6009 32.4088 20.9646 -15.0088 20.9646 -13.8503 GPRESSAVG: 2993200 -12.2836 -36.0746 -13.8192 -39.8402 31.0488 21.9344 -14.6602 21.9514 -11.4193 TIMING: 2993200 CPU: 9459.82, 0.00316859/step Wall: 9459.82, 0.00316859/step, 1.76631 hours remaining, 237.640625 MB of memory in use. ENERGY: 2993200 3998.7077 20455.8232 14411.1785 245.2048 -203276.7588 2478.9078 0.0000 0.0000 52350.3632 -109336.5735 300.8583 -161686.9368 -108965.7657 299.8210 -30.9725 -1.7188 761153.6881 2.4467 2.4486 PRESSURE: 2993400 0.667787 204.813 3.60368 204.814 -143.698 216.167 3.6039 216.168 -260.076 GPRESSURE: 2993400 -31.7655 102.582 47.6158 202.855 -107.442 187.23 -85.3232 305.013 -183.517 PRESSAVG: 2993400 36.893 -6.212 -28.1621 -6.21197 -20.6488 49.5275 -28.1621 49.5274 7.95725 GPRESSAVG: 2993400 37.7393 -8.84438 -28.8003 -4.02964 -20.2926 47.8541 -28.3368 50.2846 6.60026 TIMING: 2993400 CPU: 9460.46, 0.00316142/step Wall: 9460.46, 0.00316142/step, 1.76214 hours remaining, 237.640625 MB of memory in use. ENERGY: 2993400 4012.6238 20477.6566 14405.6478 248.7830 -203132.8276 2293.4184 0.0000 0.0000 52092.7419 -109601.9562 299.3777 -161694.6981 -109259.1145 299.6838 -134.3687 -107.5748 761445.2407 8.0671 8.0157 PRESSURE: 2993600 17.7177 106.23 -56.9135 106.23 232.213 191.224 -56.9137 191.224 131.59 GPRESSURE: 2993600 15.4304 53.9377 1.31028 115.852 249.089 177.648 8.1452 121.172 185.05 PRESSAVG: 2993600 -0.316377 -4.09938 4.28196 -4.09943 -47.0943 38.563 4.28191 38.563 -0.971035 GPRESSAVG: 2993600 -2.94726 -1.53374 5.57775 -5.59315 -45.3184 40.8688 2.99279 36.6562 -0.292352 TIMING: 2993600 CPU: 9461.09, 0.00315055/step Wall: 9461.09, 0.00315055/step, 1.7559 hours remaining, 237.640625 MB of memory in use. ENERGY: 2993600 3964.3449 20461.9918 14463.2583 287.4300 -203609.8145 2815.7745 0.0000 0.0000 52075.7261 -109541.2889 299.2799 -161617.0150 -109173.4725 299.0433 127.1734 149.8565 759530.5146 -16.1272 -16.1860 PRESSURE: 2993800 -109.447 95.3807 -72.7522 95.3803 -124.999 -121.648 -72.7528 -121.648 -255.229 GPRESSURE: 2993800 -160.36 141.192 -61.1665 63.3862 -73.7364 -72.3657 -50.9694 -117.619 -185.988 PRESSAVG: 2993800 22.057 14.0615 21.1738 14.0615 -21.74 12.6281 21.1738 12.6281 -13.5941 GPRESSAVG: 2993800 24.2194 13.4327 18.3453 14.5698 -23.3407 12.2373 24.1516 15.5394 -14.6423 TIMING: 2993800 CPU: 9461.71, 0.00313434/step Wall: 9461.71, 0.00313434/step, 1.7467 hours remaining, 237.640625 MB of memory in use. ENERGY: 2993800 4041.5218 20545.1189 14442.7258 245.5950 -203104.2414 2268.3260 0.0000 0.0000 51896.8772 -109664.0767 298.2521 -161560.9539 -109308.8484 299.0734 -163.2251 -140.0278 759931.4494 -4.4257 -4.5879 PRESSURE: 2994000 -67.6393 219.52 112.973 219.52 -244.314 -27.0495 112.973 -27.0491 -207.827 GPRESSURE: 2994000 -72.0077 162.259 76.4642 57.1878 -247 -24.5907 31.2216 -47.2259 -140.049 PRESSAVG: 2994000 58.2599 24.964 57.8646 24.9641 -71.0361 13.0625 57.8645 13.0625 -3.13123 GPRESSAVG: 2994000 58.3576 24.6936 60.3097 23.1036 -71.4863 12.2749 54.2809 14.1037 -2.70188 TIMING: 2994000 CPU: 9462.34, 0.00314978/step Wall: 9462.34, 0.00314978/step, 1.75513 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2994000 3946.6390 20402.2345 14468.5129 283.3129 -203598.2872 2509.1768 0.0000 0.0000 52241.6923 -109746.7188 300.2337 -161988.4111 -109384.8547 298.9539 -173.2601 -153.0190 760535.0859 -5.3025 -5.2769 PRESSURE: 2994200 4.68946 69.5106 107.738 69.5097 -138.83 -32.571 107.737 -32.5711 331.001 GPRESSURE: 2994200 -5.11472 87.4577 202.518 12.9155 -76.0901 3.03675 7.42501 -103.843 336.257 PRESSAVG: 2994200 31.6248 3.10642 46.4035 3.10644 -69.838 -3.44757 46.4035 -3.44757 5.38668 GPRESSAVG: 2994200 31.786 1.71795 45.9566 4.64295 -69.2931 -3.36124 47.8706 -4.90667 4.89886 TIMING: 2994200 CPU: 9462.97, 0.00313537/step Wall: 9462.97, 0.00313537/step, 1.74692 hours remaining, 237.640625 MB of memory in use. ENERGY: 2994200 3982.1648 20613.9773 14392.0369 245.7164 -203147.5090 2404.7332 0.0000 0.0000 52043.8376 -109465.0428 299.0967 -161508.8805 -109110.8887 299.3963 65.6201 85.0174 760332.1810 -10.9422 -10.8694 PRESSURE: 2994400 8.61261 38.5938 70.2668 38.5938 216.928 49.7028 70.267 49.7017 29.7343 GPRESSURE: 2994400 71.8594 183.017 52.8162 106.923 252.251 104.872 64.0172 -3.8331 22.6115 PRESSAVG: 2994400 21.6416 10.484 -24.4114 10.484 6.04183 -13.094 -24.4114 -13.0941 -0.31286 GPRESSAVG: 2994400 20.3749 15.1949 -24.7933 6.59397 6.6637 -14.339 -24.4547 -12.635 0.45066 TIMING: 2994400 CPU: 9463.6, 0.00315033/step Wall: 9463.6, 0.00315033/step, 1.75509 hours remaining, 237.640625 MB of memory in use. ENERGY: 2994400 3950.5415 20571.9421 14481.4661 256.4173 -203199.3146 2465.6142 0.0000 0.0000 52194.1270 -109279.2064 299.9604 -161473.3334 -108914.3682 299.4427 85.0918 115.5739 759976.1942 9.1235 9.1631 PRESSURE: 2994600 -78.0454 -180.887 171.576 -180.888 127.916 132.255 171.576 132.255 57.5879 GPRESSURE: 2994600 15.532 -141.952 97.7038 -70.6014 104.773 124.115 230.166 56.6549 66.6728 PRESSAVG: 2994600 -3.74346 7.90665 56.2761 7.90663 -16.0795 39.2175 56.2761 39.2176 4.87525 GPRESSAVG: 2994600 -1.20636 5.63978 53.8617 11.3549 -16.9656 40.7614 58.7586 38.9339 3.36534 TIMING: 2994600 CPU: 9464.23, 0.00314094/step Wall: 9464.23, 0.00314094/step, 1.74968 hours remaining, 237.640625 MB of memory in use. ENERGY: 2994600 4035.4019 20543.6308 14477.7044 241.4416 -203197.0198 2500.0441 0.0000 0.0000 52396.6404 -109002.1566 301.1242 -161398.7970 -108638.1402 300.3543 35.8196 62.3260 761583.3166 -4.9826 -4.9355 PRESSURE: 2994800 61.6351 153.341 303.618 153.342 -460.876 -18.8786 303.618 -18.8787 13.0444 GPRESSURE: 2994800 86.0077 64.7661 270.329 100.792 -399.815 -36.8557 109.009 65.9894 0.450243 PRESSAVG: 2994800 46.4833 18.6214 34.5499 18.6214 -36.0442 18.0506 34.5499 18.0506 11.0465 GPRESSAVG: 2994800 43.7604 17.2246 37.9789 17.4848 -35.2786 18.0061 31.3107 18.3195 12.7712 TIMING: 2994800 CPU: 9464.86, 0.00313278/step Wall: 9464.86, 0.00313278/step, 1.74496 hours remaining, 237.640625 MB of memory in use. ENERGY: 2994800 4025.9953 20576.7463 14486.5369 246.4747 -203263.0308 2459.3824 0.0000 0.0000 52507.8209 -108960.0743 301.7632 -161467.8952 -108600.9009 300.8601 -128.7321 -104.4525 762275.9227 7.1619 7.0844 PRESSURE: 2995000 101.093 15.2708 105.476 15.2711 -16.9745 165.717 105.476 165.717 5.33679 GPRESSURE: 2995000 95.298 66.0818 154.904 57.5877 20.0159 140.198 96.6311 104.217 53.2595 PRESSAVG: 2995000 3.96069 -23.2291 -39.5873 -23.2292 4.83027 -19.6371 -39.5874 -19.637 -27.5082 GPRESSAVG: 2995000 4.11052 -23.2392 -40.2393 -23.1872 4.43561 -19.8133 -39.0402 -21.7721 -27.0343 TIMING: 2995000 CPU: 9465.48, 0.0031363/step Wall: 9465.48, 0.0031363/step, 1.74675 hours remaining, 237.640625 MB of memory in use. ENERGY: 2995000 3996.6164 20613.2773 14505.4628 254.9092 -203317.4246 2568.2471 0.0000 0.0000 52403.2933 -108975.6185 301.1624 -161378.9118 -108612.0743 300.3779 29.8184 56.1912 761373.2892 -6.2391 -6.1627 PRESSURE: 2995200 209.737 69.7813 -81.3853 69.7816 -131.995 -175.798 -81.3857 -175.799 569.251 GPRESSURE: 2995200 270.521 31.5333 -83.6726 54.0803 -60.1286 -230.481 -97.5199 -190.343 519.368 PRESSAVG: 2995200 35.3836 1.65393 -31.8596 1.65386 -49.6137 -75.3771 -31.8596 -75.3771 8.01375 GPRESSAVG: 2995200 37.2691 1.9549 -31.6262 3.89904 -49.76 -75.3742 -32.0797 -75.2785 6.78677 TIMING: 2995200 CPU: 9466.11, 0.00312223/step Wall: 9466.11, 0.00312223/step, 1.73874 hours remaining, 237.640625 MB of memory in use. ENERGY: 2995200 3997.5745 20604.0810 14526.9060 241.7392 -203147.0926 2535.4760 0.0000 0.0000 52195.6654 -109045.6505 299.9692 -161241.3159 -108677.0716 300.6401 215.6643 243.2535 761352.4054 -2.0721 -1.9014 PRESSURE: 2995400 306.257 -144.493 -58.9475 -144.492 46.9194 65.6989 -58.9473 65.6997 -72.5817 GPRESSURE: 2995400 327.032 -191.894 -61.2759 -238.404 3.96053 90.424 77.2266 196.084 -2.84886 PRESSAVG: 2995400 77.6721 -28.0721 -23.2885 -28.0721 -13.5639 -14.1599 -23.2885 -14.1599 4.00672 GPRESSAVG: 2995400 76.0004 -26.0894 -22.3358 -30.9602 -13.093 -14.2662 -23.1104 -11.6776 5.47451 TIMING: 2995400 CPU: 9466.73, 0.00313462/step Wall: 9466.73, 0.00313462/step, 1.74546 hours remaining, 237.640625 MB of memory in use. ENERGY: 2995400 4010.4804 20761.1087 14402.9019 252.1200 -203487.1176 2691.7665 0.0000 0.0000 52162.9722 -109205.7679 299.7813 -161368.7400 -108842.5722 300.1145 93.5317 109.3812 762953.6614 22.7050 22.7940 PRESSURE: 2995600 -277.873 3.88551 -145.159 3.88447 42.5619 130.739 -145.157 130.74 -34.4404 GPRESSURE: 2995600 -188.493 16.2505 -190.803 223.491 65.2075 97.2538 -108.576 81.2658 -82.6175 PRESSAVG: 2995600 24.9285 -32.6017 -12.9992 -32.6017 -19.8306 8.03345 -12.9992 8.03338 -12.6868 GPRESSAVG: 2995600 26.0286 -33.6844 -12.5449 -31.8049 -20.8683 8.91845 -15.1424 7.43317 -13.4271 TIMING: 2995600 CPU: 9467.37, 0.00315667/step Wall: 9467.37, 0.00315667/step, 1.75757 hours remaining, 237.640625 MB of memory in use. ENERGY: 2995600 4011.8432 20635.7130 14477.9720 256.0568 -203395.5262 2629.1285 0.0000 0.0000 52141.4531 -109243.3596 299.6576 -161384.8127 -108887.8018 299.7635 -89.9172 -68.6342 761251.3432 -2.5296 -2.7556 PRESSURE: 2995800 0.849372 -112.45 135.04 -112.448 -167.08 148.575 135.041 148.575 46.3579 GPRESSURE: 2995800 -62.8248 -178.356 106.763 -163.581 -69.732 73.2644 156.445 68.3809 96.5054 PRESSAVG: 2995800 18.5214 -44.5491 11.8086 -44.5491 -51.5872 -35.8784 11.8086 -35.8783 2.31205 GPRESSAVG: 2995800 17.7847 -45.2683 11.1662 -44.4195 -50.6951 -36.4455 13.5347 -35.8462 2.69808 TIMING: 2995800 CPU: 9468, 0.00316172/step Wall: 9468, 0.00316172/step, 1.7602 hours remaining, 237.640625 MB of memory in use. ENERGY: 2995800 4046.6521 20651.7457 14431.4505 250.4871 -203657.5165 2826.8061 0.0000 0.0000 52374.9978 -109075.3772 300.9998 -161450.3750 -108705.9099 299.8054 -39.9577 -12.0171 761800.1134 -10.2512 -10.0708 PRESSURE: 2996000 18.7157 61.7313 230.358 61.731 230.267 17.5877 230.358 17.5879 460.275 GPRESSURE: 2996000 147.245 75.8334 192.699 95.214 199.516 -19.3542 95.668 -41.2283 439.877 PRESSAVG: 2996000 60.1241 5.82264 28.9048 5.82262 -38.0467 -81.4012 28.9048 -81.4012 17.555 GPRESSAVG: 2996000 61.0358 3.85594 27.6177 8.68186 -38.0782 -81.4417 29.4086 -80.5428 16.8279 TIMING: 2996000 CPU: 9468.63, 0.00314176/step Wall: 9468.63, 0.00314176/step, 1.74891 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2996000 3926.5592 20529.8323 14465.5285 241.9043 -203173.8929 2648.1478 0.0000 0.0000 52251.7133 -109110.2076 300.2913 -161361.9209 -108745.1731 300.4737 236.4193 262.2127 760520.0275 13.2108 13.2618 PRESSURE: 2996200 31.1264 -51.6793 -174.98 -51.6793 355.219 -186.537 -174.981 -186.538 -475.349 GPRESSURE: 2996200 33.4454 -4.99648 -207.017 -149.799 305.212 -62.3977 -119.065 -175.956 -351.042 PRESSAVG: 2996200 34.1635 -23.4714 -36.9064 -23.4714 -76.0633 -3.33695 -36.9064 -3.33692 -2.44861 GPRESSAVG: 2996200 32.9799 -21.3357 -37.4206 -26.4971 -75.5621 -3.42628 -40.3191 -4.46099 -1.27701 TIMING: 2996200 CPU: 9469.25, 0.00313784/step Wall: 9469.25, 0.00313784/step, 1.74656 hours remaining, 237.640625 MB of memory in use. ENERGY: 2996200 4093.9021 20765.7773 14440.6830 254.6844 -203111.3462 2540.0757 0.0000 0.0000 52117.5346 -108898.6891 299.5202 -161016.2237 -108537.9747 300.6059 -29.6681 -4.1281 761851.2364 -14.7828 -14.6197 LDB: ============= START OF LOAD BALANCING ============== 9481.65 LDB: ============== END OF LOAD BALANCING =============== 9481.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9481.66 LDB: ============= START OF LOAD BALANCING ============== 9481.97 LDB: Largest compute 7059 load 0.033531 is 17.1% of average load 0.196102 LDB: Average compute 0.004388 is 2.2% of average load 0.196102 LDB: TIME 9481.98 LOAD: AVG 0.196102 MAX 0.21402 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 9481.98 LOAD: AVG 0.196102 MAX 0.21402 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: TIME 9481.98 LOAD: AVG 0.196102 MAX 0.21402 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: ============== END OF LOAD BALANCING =============== 9481.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9481.98 PRESSURE: 2996400 -7.08775 0.419728 44.9836 0.419771 252.763 132.257 44.9838 132.256 -350.225 GPRESSURE: 2996400 -10.1322 -71.4054 27.7221 46.0882 286.4 224.77 24.6937 175.485 -313.727 PRESSAVG: 2996400 33.3911 2.28143 -27.3955 2.28146 -34.6838 -37.6642 -27.3955 -37.6641 -4.43609 GPRESSAVG: 2996400 33.6415 1.54801 -25.4141 1.69945 -34.407 -37.6338 -25.6433 -38.6598 -4.59366 TIMING: 2996400 CPU: 9469.9, 0.00323078/step Wall: 9469.9, 0.00323078/step, 1.79811 hours remaining, 239.125000 MB of memory in use. ENERGY: 2996400 3967.8844 20701.7248 14417.2037 238.1095 -203422.5610 2569.5980 0.0000 0.0000 52300.7779 -109227.2626 300.5733 -161528.0405 -108862.1803 299.9337 -34.8501 -12.4866 763208.2971 -1.9096 -1.7864 PRESSURE: 2996600 12.2459 -57.4264 -75.1695 -57.4274 157.693 52.1421 -75.169 52.1434 -321.374 GPRESSURE: 2996600 16.6615 -72.6147 -83.072 -62.667 237.171 57.2997 -65.0039 -48.1919 -318.507 PRESSAVG: 2996600 -1.38708 -34.6316 -14.4424 -34.6316 1.99905 -56.4 -14.4424 -56.3999 12.0145 GPRESSAVG: 2996600 0.0580541 -36.3542 -16.1132 -32.8619 1.60733 -54.7408 -13.3225 -55.8282 11.2388 TIMING: 2996600 CPU: 9470.53, 0.00313186/step Wall: 9470.53, 0.00313186/step, 1.74288 hours remaining, 239.125000 MB of memory in use. ENERGY: 2996600 3993.3924 20659.9435 14487.6701 251.8085 -203401.2878 2641.7723 0.0000 0.0000 51868.3724 -109498.3286 298.0882 -161366.7010 -109137.8211 299.6024 -50.4785 -21.5582 761944.7532 4.2088 4.3014 PRESSURE: 2996800 260.088 -160.436 110.41 -160.436 60.2597 -94.5326 110.409 -94.5322 -113.651 GPRESSURE: 2996800 322.43 -147.789 105.927 -65.447 64.5521 -46.1809 69.1145 -149.527 -103.138 PRESSAVG: 2996800 33.6638 -46.0124 -29.727 -46.0124 -65.8972 -52.1137 -29.727 -52.1137 -1.13997 GPRESSAVG: 2996800 32.9654 -42.0071 -27.9823 -45.6565 -64.5989 -54.4068 -31.2229 -52.7212 -1.65717 TIMING: 2996800 CPU: 9471.15, 0.00313366/step Wall: 9471.15, 0.00313366/step, 1.74371 hours remaining, 239.125000 MB of memory in use. ENERGY: 2996800 3991.2969 20614.4641 14436.1309 248.4743 -203504.0163 2932.0463 0.0000 0.0000 51806.5200 -109475.0838 297.7328 -161281.6038 -109109.1030 299.3911 68.8991 94.6146 761484.1721 -11.1245 -11.0969 PRESSURE: 2997000 -51.3141 -181.883 -217.678 -181.882 -152.986 47.1154 -217.678 47.114 -211.918 GPRESSURE: 2997000 17.0834 -173.418 -261.837 -113.074 -177.253 82.2754 -319.367 -76.8686 -195.734 PRESSAVG: 2997000 -3.34767 63.977 1.71377 63.977 -14.9555 -23.9799 1.71384 -23.9799 12.6242 GPRESSAVG: 2997000 -3.38002 62.6245 0.0340006 61.7206 -16.5628 -24.7138 2.08296 -22.0273 13.8432 TIMING: 2997000 CPU: 9471.78, 0.00313275/step Wall: 9471.78, 0.00313275/step, 1.74303 hours remaining, 239.125000 MB of memory in use. ENERGY: 2997000 4023.8150 20544.8233 14461.5964 236.6056 -203024.6523 2215.4119 0.0000 0.0000 51902.4045 -109639.9955 298.2838 -161542.4000 -109281.4529 298.6282 -138.7394 -118.6344 763721.8325 -1.8930 -2.0332 PRESSURE: 2997200 -44.3933 -0.241677 134.898 -0.242048 281.198 -240.096 134.897 -240.096 -142.848 GPRESSURE: 2997200 -32.9989 118.295 116.166 -86.731 294.335 -186.469 74.3184 -176.871 -74.569 PRESSAVG: 2997200 31.9658 36.6558 -35.9822 36.6557 -43.5961 -36.7207 -35.9822 -36.7207 -3.93283 GPRESSAVG: 2997200 32.474 36.5153 -34.4801 38.6762 -43.4535 -35.1724 -36.7688 -39.0441 -4.27328 TIMING: 2997200 CPU: 9472.41, 0.00313596/step Wall: 9472.41, 0.00313596/step, 1.74464 hours remaining, 239.125000 MB of memory in use. ENERGY: 2997200 3941.7972 20637.0790 14387.0749 251.0760 -203484.2707 2675.0588 0.0000 0.0000 51998.9500 -109593.2348 298.8387 -161592.1848 -109235.7801 298.8927 31.3190 62.2559 762791.9872 -5.1877 -5.0842 PRESSURE: 2997400 -41.1279 -129.034 186.334 -129.035 -142.328 -73.0443 186.335 -73.0443 350.542 GPRESSURE: 2997400 -5.55674 -159.509 119.753 -158.072 -48.4685 -24.2507 150.046 48.3071 303.081 PRESSAVG: 2997400 19.2161 25.3783 -61.7189 25.3784 -8.2454 -43.1441 -61.7189 -43.1441 9.83857 GPRESSAVG: 2997400 18.4086 23.8208 -62.3489 25.4049 -8.11634 -43.3188 -60.9638 -40.7479 9.69866 TIMING: 2997400 CPU: 9473.03, 0.00311452/step Wall: 9473.03, 0.00311452/step, 1.73254 hours remaining, 239.125000 MB of memory in use. ENERGY: 2997400 3994.5055 20621.5631 14493.2218 271.3164 -203595.4903 2610.8995 0.0000 0.0000 52058.0655 -109545.9184 299.1784 -161603.9839 -109188.7929 299.1361 55.6955 83.0185 762685.6316 6.9364 6.6636 PRESSURE: 2997600 55.678 150.705 -189.065 150.704 -73.7856 100.871 -189.064 100.871 43.6689 GPRESSURE: 2997600 115.954 48.2092 -277.16 129.635 -45.4649 39.1784 -198.18 46.0677 35.8115 PRESSAVG: 2997600 72.4727 -14.8976 -79.7135 -14.8977 -39.0787 -40.9109 -79.7135 -40.9108 -31.0732 GPRESSAVG: 2997600 72.9927 -12.532 -78.6168 -17.3973 -39.9411 -42.3085 -80.0223 -42.0072 -30.52 TIMING: 2997600 CPU: 9473.65, 0.00311832/step Wall: 9473.65, 0.00311832/step, 1.73448 hours remaining, 239.125000 MB of memory in use. ENERGY: 2997600 4080.4575 20550.3153 14384.3935 242.7295 -203689.4562 2722.9618 0.0000 0.0000 52077.6283 -109630.9703 299.2908 -161708.5986 -109272.2312 299.3515 8.5205 35.4336 760320.1386 0.7736 0.8439 PRESSURE: 2997800 77.1027 224.115 117.041 224.116 19.2662 -154.837 117.042 -154.835 -252.29 GPRESSURE: 2997800 71.078 104.673 180.706 151.851 54.5863 -168.149 -5.0453 -120.724 -207.13 PRESSAVG: 2997800 31.1318 12.7337 -29.8425 12.7337 -16.7464 -14.6219 -29.8426 -14.6219 28.3727 GPRESSAVG: 2997800 31.536 9.97534 -29.9126 12.678 -16.1735 -14.105 -31.2745 -16.7184 26.952 TIMING: 2997800 CPU: 9474.28, 0.00313208/step Wall: 9474.28, 0.00313208/step, 1.74196 hours remaining, 239.125000 MB of memory in use. ENERGY: 2997800 4057.0847 20488.5892 14436.1840 257.9666 -203787.3152 2582.6067 0.0000 0.0000 52227.8519 -109737.0321 300.1542 -161964.8840 -109375.1409 299.5217 -51.9735 -27.1552 761048.9384 14.2527 14.1048 PRESSURE: 2998000 161.896 -49.2098 -233.893 -49.2086 -15.5507 -61.4052 -233.894 -61.4053 -92.276 GPRESSURE: 2998000 234.381 -74.4147 -117.995 -5.16872 -46.8444 -131.112 -246.184 -70.4605 -25.9625 PRESSAVG: 2998000 23.9627 -20.1923 -38.9769 -20.1923 15.9999 5.66799 -38.9769 5.66806 -1.57894 GPRESSAVG: 2998000 23.3322 -18.1516 -40.8199 -19.234 15.4838 4.78167 -39.3075 5.18854 -0.646716 TIMING: 2998000 CPU: 9474.91, 0.00314866/step Wall: 9474.91, 0.00314866/step, 1.751 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2998000 4001.4692 20556.1083 14380.0408 275.1863 -203443.0920 2431.1553 0.0000 0.0000 51952.7608 -109846.3713 298.5732 -161799.1321 -109482.5129 298.8559 18.0230 53.8579 760448.2418 12.7946 12.7231 PRESSURE: 2998200 48.5039 -379.385 -249.969 -379.385 256.652 -181.7 -249.969 -181.701 214.328 GPRESSURE: 2998200 -22.2226 -292.501 -304.311 -300.33 337.405 -193.763 -91.9351 -142.07 290.449 PRESSAVG: 2998200 -6.28359 -13.2822 -22.552 -13.2822 5.24881 -8.03041 -22.552 -8.03045 18.4199 GPRESSAVG: 2998200 -6.65485 -12.9733 -21.8346 -12.3475 5.95927 -6.77846 -19.8097 -5.72112 18.1921 TIMING: 2998200 CPU: 9475.54, 0.00315061/step Wall: 9475.54, 0.00315061/step, 1.75191 hours remaining, 239.125000 MB of memory in use. ENERGY: 2998200 3909.5061 20440.9416 14371.6907 254.5453 -203083.2584 2327.0317 0.0000 0.0000 51854.8204 -109924.7225 298.0104 -161779.5429 -109550.6013 298.4137 173.1613 201.8770 762295.4515 5.7950 5.8322 PRESSURE: 2998400 533.899 15.0271 90.1328 15.0277 103.113 326.252 90.1324 326.252 19.3022 GPRESSURE: 2998400 501.846 70.4591 142.275 19.5036 182.957 297.369 18.8447 230.638 70.8308 PRESSAVG: 2998400 10.7466 -0.0547791 -39.5842 -0.0547733 -19.382 36.856 -39.5842 36.856 -18.8833 GPRESSAVG: 2998400 11.6537 0.729351 -41.0001 -1.34167 -20.4272 36.7602 -39.5224 35.6694 -19.0331 TIMING: 2998400 CPU: 9476.17, 0.0031312/step Wall: 9476.17, 0.0031312/step, 1.74095 hours remaining, 239.125000 MB of memory in use. ENERGY: 2998400 3965.3982 20508.9490 14325.3527 246.6040 -203526.4769 2617.7565 0.0000 0.0000 51762.0254 -110100.3912 297.4771 -161862.4166 -109729.4708 298.1736 218.7714 251.8776 759773.4665 -9.1729 -9.2689 PRESSURE: 2998600 -349.164 -148.023 -241.129 -148.024 -343.321 -284.383 -241.129 -284.384 -380.928 GPRESSURE: 2998600 -267.526 -169.664 -272.924 -190.443 -353.784 -336.597 -150.547 -249.153 -339.651 PRESSAVG: 2998600 27.0623 -7.4128 -60.801 -7.41282 1.42057 -8.30242 -60.8009 -8.30239 7.87697 GPRESSAVG: 2998600 26.78 -11.0601 -59.2935 -5.04803 2.91206 -8.86561 -60.3512 -8.50543 7.21911 TIMING: 2998600 CPU: 9476.79, 0.00313922/step Wall: 9476.79, 0.00313922/step, 1.74523 hours remaining, 239.125000 MB of memory in use. ENERGY: 2998600 3986.6784 20520.8456 14409.9986 246.3807 -203720.3528 2612.6065 0.0000 0.0000 51781.9340 -110161.9089 297.5915 -161943.8429 -109801.3934 298.4402 -357.8042 -320.3201 760377.3221 12.1199 12.3037 PRESSURE: 2998800 577.841 63.9029 171.18 63.9027 74.3339 49.1899 171.18 49.1891 299.302 GPRESSURE: 2998800 545.701 29.3666 132.805 144.84 193.422 -18.0773 151.202 38.8488 290.913 PRESSAVG: 2998800 37.6184 -25.5453 -37.6097 -25.5453 -9.92975 -19.9667 -37.6097 -19.9667 -13.7928 GPRESSAVG: 2998800 37.8409 -23.4725 -36.8355 -26.9511 -10.3852 -19.9067 -38.8721 -18.5459 -13.4407 TIMING: 2998800 CPU: 9477.43, 0.00316302/step Wall: 9477.43, 0.00316302/step, 1.75829 hours remaining, 239.125000 MB of memory in use. ENERGY: 2998800 3970.1275 20515.0794 14386.8585 236.6456 -203909.6210 2744.3052 0.0000 0.0000 51960.4111 -110096.1938 298.6172 -162056.6048 -109737.9203 298.1977 317.1590 343.3454 759435.0914 4.6320 4.6717 PRESSURE: 2999000 -78.9335 76.4867 -23.966 76.4874 -356.99 -204.92 -23.966 -204.921 442.544 GPRESSURE: 2999000 -32.1473 149.531 -11.5938 79.4362 -346.569 -183.002 -69.1374 -130.434 456.153 PRESSAVG: 2999000 74.3116 -2.70829 -8.27315 -2.70832 -46.4754 -46.6914 -8.27324 -46.6914 -0.935863 GPRESSAVG: 2999000 72.8244 -2.18594 -9.15787 -1.97557 -45.8095 -46.3268 -7.52532 -45.655 -0.0720128 TIMING: 2999000 CPU: 9478.06, 0.00315562/step Wall: 9478.06, 0.00315563/step, 1.754 hours remaining, 239.125000 MB of memory in use. ENERGY: 2999000 3907.6469 20455.3252 14442.1798 232.0853 -203889.7486 2752.4341 0.0000 0.0000 51893.7432 -110206.3344 298.2341 -162100.0775 -109835.5883 298.5650 2.2067 25.8121 759762.3291 8.9668 8.9810 PRESSURE: 2999200 -58.8307 -56.879 127.745 -56.8792 37.7856 40.7739 127.745 40.7738 -85.8768 GPRESSURE: 2999200 -50.9123 52.6719 175.15 -55.879 73.7888 110.624 -0.0745217 125.955 -48.0552 PRESSAVG: 2999200 4.98311 10.9116 -55.522 10.9116 -20.1747 -23.1984 -55.5221 -23.1985 8.46336 GPRESSAVG: 2999200 5.53448 10.771 -56.0331 10.5474 -20.9784 -23.043 -57.503 -25.1115 9.23906 TIMING: 2999200 CPU: 9478.69, 0.00315096/step Wall: 9478.69, 0.00315096/step, 1.75123 hours remaining, 239.125000 MB of memory in use. ENERGY: 2999200 3853.1469 20575.7963 14406.4373 253.8302 -203611.5126 2598.9291 0.0000 0.0000 51825.5918 -110097.7812 297.8424 -161923.3729 -109755.9089 297.7940 -35.6406 -8.3929 760121.8141 -2.2427 -2.0683 PRESSURE: 2999400 21.0139 4.87671 92.3513 4.87684 -128.421 4.80078 92.3516 4.80029 274.523 GPRESSURE: 2999400 -38.0685 -108.666 133.279 33.1565 -35.3484 -66.8516 151.432 -1.56088 337.659 PRESSAVG: 2999400 27.3024 -19.4509 30.9541 -19.4509 10.1706 59.055 30.9541 59.0551 1.57025 GPRESSAVG: 2999400 27.8345 -20.2914 29.3792 -20.6437 10.6538 58.1626 33.3194 60.9405 0.543064 TIMING: 2999400 CPU: 9479.32, 0.00313892/step Wall: 9479.32, 0.00313892/step, 1.74437 hours remaining, 239.125000 MB of memory in use. ENERGY: 2999400 4029.8894 20497.5969 14410.0071 247.0827 -203935.7809 2519.9254 0.0000 0.0000 52161.8352 -110069.4441 299.7748 -162231.2793 -109702.8804 298.0591 55.7055 88.0808 759237.4430 13.0144 13.0105 PRESSURE: 2999600 -397.964 25.922 -42.4346 25.9222 -349.093 35.8066 -42.4342 35.8074 -237.612 GPRESSURE: 2999600 -378.109 29.3371 48.6434 -87.1375 -219.489 33.9637 -64.3771 135.664 -309.351 PRESSAVG: 2999600 33.5447 -14.1589 12.4071 -14.1589 39.5541 -23.1827 12.4071 -23.1827 1.30685 GPRESSAVG: 2999600 31.9507 -14.0734 15.4111 -13.9229 40.5839 -21.472 9.88075 -24.5401 1.47608 TIMING: 2999600 CPU: 9479.94, 0.00314092/step Wall: 9479.94, 0.00314092/step, 1.7453 hours remaining, 239.125000 MB of memory in use. ENERGY: 2999600 3982.4797 20507.6939 14428.0651 242.7670 -203849.2744 2534.0696 0.0000 0.0000 52069.3207 -110084.8783 299.2431 -162154.1990 -109723.9347 298.9070 -328.2227 -302.3163 759514.7443 24.8019 24.6702 PRESSURE: 2999800 118.952 10.822 -81.625 10.8226 149.347 123.218 -81.625 123.217 -155.861 GPRESSURE: 2999800 130.553 138.73 -208.923 -18.0775 263.571 60.3016 -27.0205 110.098 -210.915 PRESSAVG: 2999800 -33.4098 -13.4334 -5.29059 -13.4334 73.6419 27.012 -5.29064 27.0119 1.60346 GPRESSAVG: 2999800 -32.5749 -15.1991 -7.02639 -11.5621 74.2718 24.732 -3.54446 25.756 0.617388 TIMING: 2999800 CPU: 9480.57, 0.00313617/step Wall: 9480.57, 0.00313617/step, 1.74249 hours remaining, 239.125000 MB of memory in use. ENERGY: 2999800 3930.6925 20564.6823 14415.7101 255.7680 -203729.1142 2649.4893 0.0000 0.0000 51884.0140 -110028.7578 298.1781 -161912.7718 -109662.3223 298.6919 37.4790 61.0698 759550.5820 13.9452 14.1048 PRESSURE: 3000000 -45.0233 64.1703 -167.358 64.1707 53.3336 46.0682 -167.358 46.068 278.606 GPRESSURE: 3000000 64.8065 -17.185 -192.64 17.5409 49.2 -77.1802 -144.588 -24.8384 276.431 PRESSAVG: 3000000 17.9309 -9.29015 -24.527 -9.29012 -1.57403 53.3188 -24.527 53.3188 3.99643 GPRESSAVG: 3000000 17.9904 -7.13514 -23.5706 -10.0727 -2.60855 52.2782 -25.5373 54.9719 5.20705 TIMING: 3000000 CPU: 9481.21, 0.00318907/step Wall: 9481.21, 0.00318907/step, 1.7717 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3000000 3988.9867 20468.0013 14422.3521 245.8790 -203687.8526 2500.2372 0.0000 0.0000 51912.3561 -110150.0402 298.3410 -162062.3962 -109796.4988 298.9091 95.6387 130.1459 759574.9227 6.7844 6.8630 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000200 -49.7716 154.325 -111.243 154.326 456.133 164.086 -111.242 164.086 34.189 GPRESSURE: 3000200 75.1389 114.278 -159.121 72.9741 365.625 190.073 -50.7198 101.701 99.4785 PRESSAVG: 3000200 60.6182 10.3589 -103.124 10.359 -27.9734 30.5454 -103.124 30.5454 26.8127 GPRESSAVG: 3000200 61.9599 9.54303 -103.548 9.36803 -28.8574 33.0547 -103.59 28.0961 27.2471 TIMING: 3000200 CPU: 9481.86, 0.00325871/step Wall: 9481.86, 0.00325871/step, 1.81021 hours remaining, 239.125000 MB of memory in use. ENERGY: 3000200 3964.1823 20672.2344 14375.9546 215.7356 -203949.0725 2759.9003 0.0000 0.0000 51925.4398 -110035.6255 298.4162 -161961.0653 -109674.7523 298.5340 146.8502 180.0808 761138.6054 19.8192 20.1165 LDB: ============= START OF LOAD BALANCING ============== 9494.26 LDB: ============== END OF LOAD BALANCING =============== 9494.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9494.26 LDB: ============= START OF LOAD BALANCING ============== 9494.58 LDB: Largest compute 7031 load 0.032812 is 16.7% of average load 0.196120 LDB: Average compute 0.004379 is 2.2% of average load 0.196120 LDB: TIME 9494.58 LOAD: AVG 0.19612 MAX 0.219884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 9494.58 LOAD: AVG 0.19612 MAX 0.219884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 9494.58 LOAD: AVG 0.19612 MAX 0.219884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 9494.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9494.59 PRESSURE: 3000400 -441.013 -61.9014 -165.482 -61.9022 -202.746 -131.212 -165.482 -131.211 -217.843 GPRESSURE: 3000400 -358.831 -81.9802 -159.787 -23.5612 -191.018 -205.818 -208.402 3.1186 -232.374 PRESSAVG: 3000400 -11.7782 2.3823 -44.5554 2.38228 25.114 4.65893 -44.5554 4.65891 22.6793 GPRESSAVG: 3000400 -11.5457 2.10707 -43.2384 3.16055 25.3113 3.47406 -44.3874 7.93147 21.7532 TIMING: 3000400 CPU: 9482.5, 0.00321668/step Wall: 9482.5, 0.00321667/step, 1.78668 hours remaining, 237.960938 MB of memory in use. ENERGY: 3000400 3970.4014 20530.4018 14357.7207 259.1765 -203700.4318 2421.2737 0.0000 0.0000 51884.3550 -110277.1027 298.1801 -162161.4577 -109908.1274 298.7553 -287.2007 -260.7408 761105.8277 12.0051 11.8396 PRESSURE: 3000600 101.759 -14.9762 121.095 -14.9772 -6.31246 -217.647 121.095 -217.648 59.4655 GPRESSURE: 3000600 130.582 41.3109 65.5727 11.4155 21.2357 -203.545 -2.93903 -245.137 106.732 PRESSAVG: 3000600 14.4079 -33.2707 33.4626 -33.2707 2.43064 -14.9631 33.4626 -14.963 4.65158 GPRESSAVG: 3000600 12.9757 -30.6069 31.5362 -33.6934 3.37368 -14.5092 34.1554 -15.7668 4.95965 TIMING: 3000600 CPU: 9483.13, 0.00312094/step Wall: 9483.13, 0.00312094/step, 1.73334 hours remaining, 237.960938 MB of memory in use. ENERGY: 3000600 3988.2900 20481.6039 14475.7205 239.0821 -203798.8261 2571.0624 0.0000 0.0000 51798.0883 -110244.9789 297.6843 -162043.0672 -109882.9487 298.1989 51.6373 86.1829 760315.2731 7.1634 7.1030 PRESSURE: 3000800 81.7518 261.282 101.282 261.282 -45.8733 271.135 101.282 271.136 -225.604 GPRESSURE: 3000800 120.634 173.944 76.2877 296.97 35.5745 283.504 117.351 126.52 -252.671 PRESSAVG: 3000800 36.046 -27.0471 -32.5639 -27.0471 -46.6801 -41.7847 -32.564 -41.7847 -17.4208 GPRESSAVG: 3000800 35.8816 -28.5038 -31.0454 -27.6426 -46.5736 -41.5423 -32.1924 -42.2135 -17.4771 TIMING: 3000800 CPU: 9483.75, 0.0031326/step Wall: 9483.75, 0.0031326/step, 1.73964 hours remaining, 237.960938 MB of memory in use. ENERGY: 3000800 3989.2887 20393.3331 14403.2201 245.6765 -204004.0066 2716.1569 0.0000 0.0000 52044.7638 -110211.5674 299.1020 -162256.3312 -109849.7105 297.8330 -63.2418 -32.1543 760507.3492 -9.3516 -9.3897 PRESSURE: 3001000 140.545 79.3494 -5.5158 79.3495 208.167 149.93 -5.51607 149.929 235.453 GPRESSURE: 3001000 204.171 161.036 0.745624 62.4143 224.983 213.971 -76.7676 -6.12877 237.747 PRESSAVG: 3001000 8.71215 -8.56979 -11.2532 -8.5698 -65.3294 17.3203 -11.2531 17.3204 2.03222 GPRESSAVG: 3001000 8.50459 -9.12967 -13.238 -8.5095 -65.618 17.9131 -11.6772 17.2538 2.37491 TIMING: 3001000 CPU: 9484.38, 0.0031433/step Wall: 9484.38, 0.0031433/step, 1.74541 hours remaining, 237.960938 MB of memory in use. ENERGY: 3001000 3954.6878 20511.6741 14408.5982 232.7387 -203591.0138 2654.3108 0.0000 0.0000 51920.8549 -109908.1494 298.3899 -161829.0043 -109545.0300 298.5753 194.7219 222.3005 759586.2328 -18.1950 -18.2462 PRESSURE: 3001200 -11.2234 -329.069 203.822 -329.069 -22.8764 -97.7803 203.822 -97.7807 262.118 GPRESSURE: 3001200 45.3409 -352.04 157.757 -273.444 45.1857 -81.4578 191.384 -81.1394 224.435 PRESSAVG: 3001200 -2.6554 3.03073 -9.79656 3.03075 -5.72973 23.768 -9.79654 23.768 -4.25923 GPRESSAVG: 3001200 -0.90661 2.30672 -9.77419 5.22008 -6.86564 23.9587 -9.37637 24.2679 -4.98728 TIMING: 3001200 CPU: 9485.01, 0.00314471/step Wall: 9485.01, 0.00314471/step, 1.74601 hours remaining, 237.960938 MB of memory in use. ENERGY: 3001200 4018.4961 20344.3205 14438.9351 245.5575 -203632.0789 2537.0787 0.0000 0.0000 52075.6251 -109972.0658 299.2793 -162047.6909 -109615.7610 298.2148 76.0062 104.9873 758419.1339 -4.2148 -4.2532 PRESSURE: 3001400 -162.922 -171.13 52.0783 -171.13 31.0253 -190.206 52.0783 -190.206 34.156 GPRESSURE: 3001400 -174.625 -113.338 134.334 -79.0284 61.6345 -263.111 28.6344 -58.5364 105.6 PRESSAVG: 3001400 34.4955 -72.4468 -58.5198 -72.4469 -67.8359 -20.9057 -58.5197 -20.9057 -11.1468 GPRESSAVG: 3001400 31.667 -72.4552 -56.3428 -73.4683 -66.5981 -21.3493 -58.4693 -19.3584 -9.90195 TIMING: 3001400 CPU: 9485.64, 0.00315535/step Wall: 9485.64, 0.00315535/step, 1.75175 hours remaining, 237.960938 MB of memory in use. ENERGY: 3001400 3960.0816 20457.4909 14374.9764 249.8547 -203462.4354 2602.9283 0.0000 0.0000 51812.6954 -110004.4081 297.7683 -161817.1035 -109648.4447 298.8336 -32.5802 -2.4635 760815.5406 -14.8291 -14.9444 PRESSURE: 3001600 -224.435 186.409 -21.2157 186.409 -379.803 98.7188 -21.2162 98.7195 -30.5828 GPRESSURE: 3001600 -181.991 253.703 5.33525 245.733 -347.245 136.79 88.4413 101.386 -14.3919 PRESSAVG: 3001600 10.4342 -8.63861 66.3388 -8.63864 14.6779 28.2157 66.3388 28.2155 -9.40924 GPRESSAVG: 3001600 11.1143 -7.9537 66.407 -9.39101 14.1944 28.6841 66.0919 26.8004 -9.76045 TIMING: 3001600 CPU: 9486.27, 0.00313262/step Wall: 9486.27, 0.00313262/step, 1.73895 hours remaining, 237.960938 MB of memory in use. ENERGY: 3001600 4004.7662 20425.6420 14410.6128 246.2799 -203702.6841 2592.6681 0.0000 0.0000 51889.3080 -110133.4072 298.2086 -162022.7151 -109770.2431 298.3034 -211.6070 -181.2094 759287.8590 5.2343 5.1827 PRESSURE: 3001800 -29.7775 -38.2553 209.697 -38.255 236.914 -60.7576 209.698 -60.7576 8.75511 GPRESSURE: 3001800 101.503 3.13098 146.673 -65.9171 142.534 -3.20485 153.224 8.3006 80.8992 PRESSAVG: 3001800 63.6516 10.8688 49.4949 10.8688 -24.299 68.0767 49.4949 68.0767 -2.53356 GPRESSAVG: 3001800 62.9077 10.0945 48.3673 12.3807 -24.0862 66.6327 50.4039 68.6713 -2.6089 TIMING: 3001800 CPU: 9486.9, 0.00313712/step Wall: 9486.9, 0.00313712/step, 1.74127 hours remaining, 237.960938 MB of memory in use. ENERGY: 3001800 4029.8741 20544.3279 14451.9380 250.9835 -204084.9224 2884.9163 0.0000 0.0000 51855.0350 -110067.8476 298.0116 -161922.8826 -109708.2800 298.3763 71.9639 108.3123 760879.7155 12.2730 12.0709 PRESSURE: 3002000 -42.5301 -266.007 -60.1183 -266.007 252.261 -54.3751 -60.1182 -54.375 -44.8679 GPRESSURE: 3002000 36.9001 -204.048 -33.2357 -235.359 294.687 -133.295 -114.194 42.6162 -85.1152 PRESSAVG: 3002000 -13.4659 -36.1823 -36.4147 -36.1823 49.6249 4.5503 -36.4146 4.5503 3.21674 GPRESSAVG: 3002000 -13.0577 -34.2816 -36.4909 -36.4238 49.9207 5.08672 -38.9101 6.17401 2.65892 TIMING: 3002000 CPU: 9487.53, 0.00315161/step Wall: 9487.53, 0.00315161/step, 1.74914 hours remaining, 237.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3002000 3958.0407 20514.4635 14396.5704 222.6884 -203677.4064 2687.1743 0.0000 0.0000 52049.6584 -109848.8108 299.1301 -161898.4692 -109485.7890 298.5972 54.9543 82.1572 759823.6676 13.1252 13.1740 PRESSURE: 3002200 -109.87 -179.504 -165.708 -179.504 -13.4606 134.495 -165.708 134.496 -433.188 GPRESSURE: 3002200 -89.2473 -245.638 -142.159 -177.987 34.6205 148.587 -88.2667 129.502 -406.734 PRESSAVG: 3002200 -41.3268 -24.8235 -44.3676 -24.8234 15.7899 -3.91106 -44.3675 -3.91105 14.3899 GPRESSAVG: 3002200 -40.9054 -27.2877 -46.3026 -23.9434 14.7628 -3.06996 -41.2332 -5.70113 15.2205 TIMING: 3002200 CPU: 9488.15, 0.00313286/step Wall: 9488.15, 0.00313286/step, 1.73856 hours remaining, 237.960938 MB of memory in use. ENERGY: 3002200 4033.3683 20297.7751 14379.7784 272.7787 -203367.0845 2563.5898 0.0000 0.0000 51927.1084 -109892.6860 298.4258 -161819.7943 -109521.0244 298.8728 -185.5059 -153.7871 761491.6692 -3.7157 -3.6407 PRESSURE: 3002400 -316.215 72.3949 -240.813 72.395 -187.271 58.5995 -240.812 58.6005 80.1884 GPRESSURE: 3002400 -266.746 28.8827 -238.919 68.577 -88.4341 50.3228 -109.046 175.544 25.9626 PRESSAVG: 3002400 -7.82391 1.33487 -39.4669 1.33492 4.85885 -11.6311 -39.4669 -11.6311 -12.6378 GPRESSAVG: 3002400 -8.12698 2.89747 -37.9051 0.873016 5.94244 -11.1051 -39.8876 -11.7785 -13.4525 TIMING: 3002400 CPU: 9488.78, 0.0031322/step Wall: 9488.78, 0.0031322/step, 1.73802 hours remaining, 237.960938 MB of memory in use. ENERGY: 3002400 3960.3233 20549.9638 14367.7613 246.7544 -203311.2694 2447.5542 0.0000 0.0000 51918.2978 -109820.6147 298.3752 -161738.9125 -109453.1002 298.5699 -141.0990 -109.7392 761952.3952 -5.2010 -5.2123 PRESSURE: 3002600 139.034 -15.7412 -196.389 -15.741 25.423 -1.29244 -196.389 -1.29235 -25.3688 GPRESSURE: 3002600 156.593 126.11 -214.695 56.1614 84.123 57.6625 -299.352 -13.6706 -0.129179 PRESSAVG: 3002600 8.72144 -28.7796 -45.966 -28.7796 -29.7573 6.76332 -45.966 6.76333 17.926 GPRESSAVG: 3002600 8.58816 -29.6663 -45.2716 -28.2173 -29.9998 5.18461 -46.4963 8.38402 18.0198 TIMING: 3002600 CPU: 9489.41, 0.00316021/step Wall: 9489.41, 0.00316021/step, 1.75339 hours remaining, 237.960938 MB of memory in use. ENERGY: 3002600 4063.3096 20395.7424 14408.5104 239.7269 -203328.7358 2514.8373 0.0000 0.0000 51999.9846 -109706.6247 298.8446 -161706.6093 -109343.8223 298.8355 46.3626 80.1955 761407.5454 -1.0366 -1.1306 PRESSURE: 3002800 320.871 -75.8174 180.198 -75.8176 320.132 -190.184 180.198 -190.184 142.072 GPRESSURE: 3002800 356.7 -151.668 253.575 20.3937 325.174 -136.961 156.237 -216.863 180.511 PRESSAVG: 3002800 12.1653 7.66746 -12.6983 7.66743 38.3982 -14.2349 -12.6983 -14.2348 17.7301 GPRESSAVG: 3002800 13.0497 8.59242 -13.3958 4.60461 36.993 -13.6614 -17.0069 -15.8185 18.5765 TIMING: 3002800 CPU: 9490.05, 0.00316809/step Wall: 9490.05, 0.00316809/step, 1.75759 hours remaining, 237.960938 MB of memory in use. ENERGY: 3002800 3962.7456 20527.2396 14400.1317 244.0082 -203573.4118 2487.6193 0.0000 0.0000 52108.9573 -109842.7101 299.4709 -161951.6674 -109472.5908 298.4868 261.0250 287.4618 760516.9481 22.7646 22.8731 PRESSURE: 3003000 207.446 -102.926 -10.152 -102.926 11.2306 158.424 -10.1515 158.424 100.557 GPRESSURE: 3003000 230.325 -161.537 -29.4681 -194.844 68.8354 128.798 41.3271 131.065 93.248 PRESSAVG: 3003000 39.6317 -69.539 40.8725 -69.539 -72.5537 49.9798 40.8724 49.9798 2.75174 GPRESSAVG: 3003000 39.2455 -71.8154 41.398 -65.3731 -70.9075 49.7434 43.2241 49.6572 1.78225 TIMING: 3003000 CPU: 9490.68, 0.00314666/step Wall: 9490.68, 0.00314666/step, 1.74552 hours remaining, 237.960938 MB of memory in use. ENERGY: 3003000 3966.7772 20493.9025 14334.7913 236.7723 -203466.2520 2606.5686 0.0000 0.0000 51887.0112 -109940.4288 298.1954 -161827.4400 -109582.0552 298.7260 106.4111 130.8028 761011.1405 -10.0568 -9.9599 PRESSURE: 3003200 66.1525 70.3628 -227.502 70.363 -265.785 -10.4317 -227.502 -10.4315 -165.624 GPRESSURE: 3003200 80.8788 37.1011 -171.963 2.34091 -214.479 -91.0807 -263.751 55.485 -156.238 PRESSAVG: 3003200 -10.7551 -15.9988 8.6755 -15.9987 -0.670046 7.49123 8.67556 7.49122 14.354 GPRESSAVG: 3003200 -11.3612 -15.4679 8.09035 -18.0866 -1.15104 7.14279 9.14635 7.49279 15.8757 TIMING: 3003200 CPU: 9491.3, 0.00313968/step Wall: 9491.3, 0.00313968/step, 1.74148 hours remaining, 237.960938 MB of memory in use. ENERGY: 3003200 3992.2877 20511.6649 14439.9617 249.0218 -203164.5239 2373.0359 0.0000 0.0000 51878.5955 -109719.9565 298.1470 -161598.5519 -109361.1730 298.5036 -121.7525 -96.6126 760781.3599 0.9763 1.1211 PRESSURE: 3003400 169.925 -10.5192 77.9171 -10.5189 180.279 -183.177 77.9168 -183.178 328.837 GPRESSURE: 3003400 223.278 -72.3123 99.7878 -30.8192 195.373 -185.703 -1.0801 -72.3929 349.727 PRESSAVG: 3003400 9.43205 -20.4057 6.35522 -20.4057 -4.7323 -8.23363 6.35524 -8.23366 35.6945 GPRESSAVG: 3003400 10.7056 -19.0887 6.30766 -21.8197 -5.5455 -7.86386 5.72399 -8.17637 35.7656 TIMING: 3003400 CPU: 9491.93, 0.00313623/step Wall: 9491.93, 0.00313623/step, 1.73939 hours remaining, 237.960938 MB of memory in use. ENERGY: 3003400 3992.4403 20630.2350 14376.4454 249.9548 -203343.4262 2659.3487 0.0000 0.0000 52050.7125 -109384.2896 299.1362 -161435.0021 -109034.7763 299.3415 226.3470 256.1261 761775.4228 13.4647 13.6419 PRESSURE: 3003600 69.5844 -65.8008 -42.2148 -65.8012 -254.673 -56.8571 -42.2151 -56.8576 -125.522 GPRESSURE: 3003600 68.1622 -166.272 -52.8023 -96.906 -145.345 -13.5559 -36.5209 -54.0121 -151.433 PRESSAVG: 3003600 34.6246 18.076 -19.8625 18.076 -27.9363 16.3813 -19.8626 16.3812 -4.14387 GPRESSAVG: 3003600 35.1991 16.57 -19.7495 18.3151 -27.0553 16.7422 -17.9509 15.9911 -5.11358 TIMING: 3003600 CPU: 9492.56, 0.00315505/step Wall: 9492.56, 0.00315505/step, 1.74965 hours remaining, 237.960938 MB of memory in use. ENERGY: 3003600 4028.0231 20472.4109 14408.5567 253.4063 -203389.8006 2325.1256 0.0000 0.0000 52259.0012 -109643.2768 300.3332 -161902.2780 -109288.5938 299.2920 -103.5368 -76.2051 759451.2992 0.8481 1.0101 PRESSURE: 3003800 -253.486 67.05 -48.9554 67.05 -80.1721 123.903 -48.9561 123.902 112.354 GPRESSURE: 3003800 -185.39 -79.5388 -59.2929 129.165 -24.4858 58.2033 34.6719 92.4496 81.5148 PRESSAVG: 3003800 36.5707 -58.3971 -29.6976 -58.3972 -4.83304 -26.808 -29.6976 -26.8081 -29.0139 GPRESSAVG: 3003800 36.8084 -59.8476 -30.8394 -57.1754 -4.48436 -27.827 -28.2288 -26.3657 -28.8372 TIMING: 3003800 CPU: 9493.19, 0.0031582/step Wall: 9493.19, 0.0031582/step, 1.75122 hours remaining, 237.960938 MB of memory in use. ENERGY: 3003800 3931.0378 20546.6430 14319.5667 244.7221 -203400.7752 2527.4240 0.0000 0.0000 52149.0079 -109682.3738 299.7011 -161831.3817 -109319.0920 299.2378 -73.7682 -42.7870 759937.2090 0.9079 1.1623 PRESSURE: 3004000 -351.172 115.991 -141.204 115.992 -424.215 0.348746 -141.203 0.34809 -73.1951 GPRESSURE: 3004000 -314.242 81.6431 -189.379 63.3393 -332.792 -48.2345 90.7468 -16.014 -100.556 PRESSAVG: 3004000 73.6584 15.4467 -22.4058 15.4467 -53.7585 -5.48829 -22.4057 -5.48822 -13.3961 GPRESSAVG: 3004000 73.5514 17.8156 -21.4874 15.6664 -53.3092 -3.93893 -25.4196 -6.64407 -13.8372 TIMING: 3004000 CPU: 9493.82, 0.00315318/step Wall: 9493.82, 0.00315318/step, 1.74827 hours remaining, 237.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3004000 4052.7288 20597.5395 14397.7627 229.5545 -203045.1540 2206.6275 0.0000 0.0000 51856.6392 -109704.3019 298.0208 -161560.9411 -109342.1522 299.2064 -282.8608 -249.1964 762067.5102 2.1679 2.1350 PRESSURE: 3004200 464.944 44.7061 167.901 44.7057 -53.3415 -85.127 167.9 -85.1264 -193.858 GPRESSURE: 3004200 425.58 -0.521906 170.924 -0.664601 5.62465 -100.405 161.909 -14.1716 -114.466 PRESSAVG: 3004200 32.1597 22.3553 -27.397 22.3553 -60.7275 -14.353 -27.397 -14.3529 -7.79022 GPRESSAVG: 3004200 32.0169 24.7458 -29.1133 21.1803 -61.1881 -14.5538 -27.0604 -13.807 -7.09045 TIMING: 3004200 CPU: 9494.45, 0.00313998/step Wall: 9494.45, 0.00313998/step, 1.74077 hours remaining, 237.960938 MB of memory in use. ENERGY: 3004200 4021.1391 20604.6724 14363.0942 252.1888 -203581.4363 2641.5242 0.0000 0.0000 51988.3302 -109710.4875 298.7776 -161698.8177 -109343.5394 298.7666 72.5813 105.5794 759910.3192 -12.1193 -12.0872 LDB: ============= START OF LOAD BALANCING ============== 9506.85 LDB: ============== END OF LOAD BALANCING =============== 9506.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9506.85 LDB: ============= START OF LOAD BALANCING ============== 9507.17 LDB: Largest compute 7059 load 0.031939 is 16.3% of average load 0.196056 LDB: Average compute 0.004375 is 2.2% of average load 0.196056 LDB: TIME 9507.17 LOAD: AVG 0.196056 MAX 0.216549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 9507.17 LOAD: AVG 0.196056 MAX 0.216549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 9507.17 LOAD: AVG 0.196056 MAX 0.216549 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9507.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9507.18 PRESSURE: 3004400 -130.854 -217.805 -196.04 -217.805 86.4259 -19.8666 -196.04 -19.8667 -83.7437 GPRESSURE: 3004400 -59.6475 -87.6112 -207.906 -265.103 67.4128 -63.9993 -85.2443 13.3488 -47.8757 PRESSAVG: 3004400 20.8287 -1.6131 27.8382 -1.61316 -26.9213 13.0814 27.8383 13.0814 33.2552 GPRESSAVG: 3004400 21.2111 -4.11628 29.6977 -1.93758 -27.777 11.7603 26.5695 14.1917 33.1757 TIMING: 3004400 CPU: 9495.1, 0.00321949/step Wall: 9495.1, 0.00321949/step, 1.78467 hours remaining, 238.867188 MB of memory in use. ENERGY: 3004400 4032.7013 20308.8491 14353.0756 262.8729 -203126.9116 2210.0003 0.0000 0.0000 52198.7835 -109760.6290 299.9871 -161959.4125 -109400.9320 299.0494 -42.7240 -13.3701 758379.4135 9.0542 8.8699 PRESSURE: 3004600 54.8198 14.534 1.615 14.5342 -24.4835 -184.249 1.61519 -184.249 28.3123 GPRESSURE: 3004600 57.9741 -12.931 -70.8832 -18.1347 34.0623 -212.032 -11.952 -190.195 51.159 PRESSAVG: 3004600 5.02795 -26.9546 17.9401 -26.9547 -13.7863 -12.4543 17.9401 -12.4542 18.8242 GPRESSAVG: 3004600 5.60521 -27.4158 17.8135 -26.4306 -14.0367 -11.1528 19.5442 -11.6889 18.2202 TIMING: 3004600 CPU: 9495.72, 0.00314235/step Wall: 9495.72, 0.00314235/step, 1.74174 hours remaining, 239.070312 MB of memory in use. ENERGY: 3004600 4034.7466 20528.5077 14334.2779 246.8134 -203494.1560 2482.7356 0.0000 0.0000 52092.8527 -109774.2221 299.3783 -161867.0748 -109425.8241 298.9178 19.5495 47.7318 760397.7170 3.3553 3.2629 PRESSURE: 3004800 4.20459 -80.3753 180.577 -80.3751 81.0612 225.637 180.576 225.636 -102.452 GPRESSURE: 3004800 104.575 -88.5302 177.334 -75.9697 111.709 159.687 198.601 246.513 -123.774 PRESSAVG: 3004800 65.6059 -18.0504 12.4866 -18.0504 -20.6876 8.74303 12.4865 8.74314 2.32624 GPRESSAVG: 3004800 64.6908 -16.6057 12.3195 -17.9123 -19.091 9.53334 11.7739 7.74172 2.07051 TIMING: 3004800 CPU: 9496.35, 0.00314002/step Wall: 9496.35, 0.00314002/step, 1.74027 hours remaining, 239.070312 MB of memory in use. ENERGY: 3004800 4042.1421 20456.1830 14440.8654 257.8900 -203508.7267 2689.2767 0.0000 0.0000 51894.8260 -109727.5435 298.2403 -161622.3695 -109387.1329 298.4837 -5.7288 30.8365 759726.9667 15.7482 15.8901 PRESSURE: 3005000 77.9093 -91.8208 -7.04804 -91.8202 295.884 151.178 -7.04839 151.177 101.811 GPRESSURE: 3005000 186.259 -105.767 34.1596 -70.712 304.823 157.442 123.976 12.9999 78.1418 PRESSAVG: 3005000 76.0432 -8.7972 66.1389 -8.79717 -64.4081 -14.7136 66.1389 -14.7137 8.54391 GPRESSAVG: 3005000 76.8446 -9.19228 68.471 -8.99649 -65.4371 -16.1277 67.7988 -15.5417 8.91761 TIMING: 3005000 CPU: 9496.98, 0.00313938/step Wall: 9496.98, 0.00313939/step, 1.73974 hours remaining, 239.070312 MB of memory in use. ENERGY: 3005000 3914.4394 20533.5293 14414.8065 247.5611 -203524.3197 2519.6040 0.0000 0.0000 52012.3795 -109881.9998 298.9159 -161894.3793 -109523.6436 298.5327 158.5349 189.7412 760211.3890 6.7263 6.7750 PRESSURE: 3005200 -338.752 -152.429 -333.797 -152.429 -505.532 -469.387 -333.797 -469.386 -150.8 GPRESSURE: 3005200 -264.862 -77.0259 -397.562 -108.262 -500.783 -396.75 -267.304 -298.134 -141.998 PRESSAVG: 3005200 25.2733 -37.5793 9.65527 -37.5794 -2.11013 14.3153 9.65537 14.3154 2.18681 GPRESSAVG: 3005200 23.9951 -38.6032 7.48724 -37.4037 -0.879874 15.4835 10.4778 16.6626 2.34005 TIMING: 3005200 CPU: 9497.61, 0.00314194/step Wall: 9497.61, 0.00314194/step, 1.74098 hours remaining, 239.070312 MB of memory in use. ENERGY: 3005200 3978.4710 20583.4160 14392.7834 239.4484 -203087.4415 2155.3351 0.0000 0.0000 51957.6365 -109780.3511 298.6013 -161737.9876 -109419.0641 298.5148 -331.6945 -302.5476 762916.8120 8.4500 8.4851 PRESSURE: 3005400 479.703 93.7665 153.654 93.7668 199.348 212.249 153.654 212.25 -126.999 GPRESSURE: 3005400 487.533 25.2137 133.079 161.709 270.8 163.705 25.5999 219.934 -123.132 PRESSAVG: 3005400 -34.9852 -79.4079 -0.423817 -79.408 30.1549 46.7839 -0.423813 46.784 20.7323 GPRESSAVG: 3005400 -34.6791 -78.8814 -0.562507 -78.8663 29.2061 46.171 -3.39078 45.7354 21.5363 TIMING: 3005400 CPU: 9498.24, 0.00313295/step Wall: 9498.24, 0.00313295/step, 1.73583 hours remaining, 239.070312 MB of memory in use. ENERGY: 3005400 3895.9214 20504.9128 14361.8143 228.4558 -203460.4139 2554.2328 0.0000 0.0000 52112.2270 -109802.8498 299.4897 -161915.0768 -109441.7086 298.5495 184.0172 211.7338 759927.7862 5.3007 5.3544 PRESSURE: 3005600 -40.7113 48.3288 150.661 48.3283 -216.083 17.6737 150.661 17.6734 117.308 GPRESSURE: 3005600 20.7851 58.3875 101.299 -15.261 -209.532 -41.4909 111.539 -16.4087 120.97 PRESSAVG: 3005600 18.2751 5.44555 -14.4951 5.44555 16.8357 26.5188 -14.4951 26.5188 4.43851 GPRESSAVG: 3005600 19.2553 6.0223 -13.6897 5.95515 16.7643 26.0393 -14.5581 26.6692 3.94162 TIMING: 3005600 CPU: 9498.86, 0.00313904/step Wall: 9498.86, 0.00313904/step, 1.73903 hours remaining, 239.070312 MB of memory in use. ENERGY: 3005600 4022.1363 20412.7876 14362.8566 241.7203 -203432.1156 2689.9081 0.0000 0.0000 52003.2996 -109699.4073 298.8637 -161702.7068 -109335.3437 298.5336 -46.4956 -22.5923 760169.2876 13.1831 13.3204 PRESSURE: 3005800 -133.799 -7.65031 -0.0473222 -7.65026 309.194 -7.2591 -0.0467456 -7.25835 -125.058 GPRESSURE: 3005800 -26.9296 4.85975 46.3569 22.5233 277.076 15.6967 23.5303 -18.3568 -111.676 PRESSAVG: 3005800 12.6734 -54.6602 -54.6174 -54.6602 -17.7399 2.49367 -54.6174 2.49369 -7.89623 GPRESSAVG: 3005800 13.1858 -54.2686 -56.0086 -57.1936 -18.3376 3.40708 -54.4987 1.61347 -7.36816 TIMING: 3005800 CPU: 9499.49, 0.00315463/step Wall: 9499.49, 0.00315463/step, 1.74749 hours remaining, 239.070312 MB of memory in use. ENERGY: 3005800 3973.9520 20391.6399 14394.0500 260.3257 -203461.9392 2660.1253 0.0000 0.0000 51904.7937 -109877.0526 298.2976 -161781.8463 -109514.6492 298.9673 16.7789 46.1565 761463.6376 -4.3209 -4.1733 PRESSURE: 3006000 299.934 21.4625 -330.442 21.4627 -319.832 206.164 -330.442 206.165 -209.156 GPRESSURE: 3006000 374.476 37.8495 -374.919 -47.5523 -310.606 149.63 -180.955 135.644 -183.187 PRESSAVG: 3006000 38.0269 -14.5236 -8.54904 -14.5236 -40.6247 23.5855 -8.54903 23.5856 15.0228 GPRESSAVG: 3006000 37.7987 -14.3505 -6.79693 -13.3395 -39.7795 23.7535 -8.97713 24.9776 14.5337 TIMING: 3006000 CPU: 9500.12, 0.00312354/step Wall: 9500.12, 0.00312354/step, 1.7301 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3006000 4010.9361 20595.2619 14402.7602 242.9935 -203388.4159 2459.6791 0.0000 0.0000 51720.9834 -109955.8017 297.2412 -161676.7851 -109600.9471 298.2292 -76.3515 -39.7722 760399.1882 4.1417 4.1843 PRESSURE: 3006200 -159.393 -37.7104 -75.0782 -37.7097 163.726 -82.0516 -75.0782 -82.0517 330.412 GPRESSURE: 3006200 -137.849 -31.9963 -22.6868 -90.3684 207.415 -27.8931 -140.86 -151.692 334.852 PRESSAVG: 3006200 75.652 -43.5962 -18.7454 -43.5961 -35.6538 49.8605 -18.7453 49.8604 23.1619 GPRESSAVG: 3006200 75.2141 -43.6431 -20.8191 -45.1846 -35.6406 51.1383 -17.464 48.7258 23.7042 TIMING: 3006200 CPU: 9500.74, 0.0031294/step Wall: 9500.74, 0.0031294/step, 1.73317 hours remaining, 239.070312 MB of memory in use. ENERGY: 3006200 3983.2889 20563.2834 14365.1687 242.4574 -203189.6704 2344.2822 0.0000 0.0000 51821.7071 -109869.4827 297.8201 -161691.1898 -109510.4385 298.4941 111.5817 134.8062 761105.7716 21.0534 21.0926 PRESSURE: 3006400 -44.1531 -64.5241 -43.2528 -64.524 -98.6246 -57.1586 -43.2524 -57.1575 -93.1007 GPRESSURE: 3006400 47.8135 -51.563 -18.252 -123.416 -107.31 -54.6006 -90.5942 -33.1359 -99.0438 PRESSAVG: 3006400 23.0271 -53.6802 -27.5151 -53.6802 -6.94886 19.3293 -27.5151 19.3293 0.139736 GPRESSAVG: 3006400 25.3813 -53.8809 -26.0756 -52.2206 -7.66913 18.266 -26.9655 20.2406 -0.842088 TIMING: 3006400 CPU: 9501.37, 0.00314184/step Wall: 9501.37, 0.00314184/step, 1.73988 hours remaining, 239.070312 MB of memory in use. ENERGY: 3006400 3964.9697 20490.3233 14308.6762 240.2204 -203083.6796 2257.5366 0.0000 0.0000 52148.4902 -109673.4633 299.6981 -161821.9534 -109314.6966 298.9785 -78.6261 -52.8469 760593.5122 5.4060 5.6234 PRESSURE: 3006600 -174.112 -119.128 -17.3991 -119.128 26.0796 163.009 -17.3994 163.009 -315.607 GPRESSURE: 3006600 -189.541 -230.713 4.03246 -9.60309 111.04 115.593 160.536 55.3958 -280.315 PRESSAVG: 3006600 22.7158 -32.6425 -18.5112 -32.6425 23.6782 -7.05063 -18.5113 -7.05056 -0.966282 GPRESSAVG: 3006600 21.4628 -32.5169 -18.9249 -31.8713 23.5095 -8.41094 -18.0688 -7.87765 0.0659709 TIMING: 3006600 CPU: 9502, 0.00313283/step Wall: 9502, 0.00313283/step, 1.73472 hours remaining, 239.070312 MB of memory in use. ENERGY: 3006600 3921.1574 20527.4521 14347.3379 261.3589 -203010.3664 2522.7117 0.0000 0.0000 51949.2524 -109481.0958 298.5531 -161430.3482 -109123.3921 299.2216 -154.5465 -119.6052 762030.8186 15.1425 15.0127 PRESSURE: 3006800 -24.2955 -81.2595 -24.4062 -81.2603 44.9785 -325.316 -24.4065 -325.316 -261.078 GPRESSURE: 3006800 -9.63115 -100.398 -68.0526 -32.2951 95.1233 -421.865 118.78 -295.158 -227.837 PRESSAVG: 3006800 3.25967 -34.6401 0.675903 -34.64 16.9996 -32.464 0.675856 -32.4639 11.6842 GPRESSAVG: 3006800 2.29347 -34.7499 0.744035 -35.7978 18.2399 -32.9063 -1.68932 -30.7816 11.7496 TIMING: 3006800 CPU: 9502.63, 0.00313637/step Wall: 9502.63, 0.00313637/step, 1.7365 hours remaining, 239.070312 MB of memory in use. ENERGY: 3006800 3954.7091 20441.4250 14387.2280 253.3668 -203054.2050 2509.0059 0.0000 0.0000 52023.8478 -109484.6224 298.9818 -161508.4702 -109122.5371 299.3047 -80.1318 -47.4482 762644.8249 10.6478 10.7610 PRESSURE: 3007000 78.041 -220.782 -65.2884 -220.782 459.339 -104.947 -65.2878 -104.946 263.844 GPRESSURE: 3007000 60.7866 -208.803 -46.2588 -246.554 503.548 -117.312 -98.0387 -56.3711 305.348 PRESSAVG: 3007000 -27.2864 -66.99 -10.2735 -66.9901 13.2981 -73.2098 -10.2735 -73.2098 -17.6584 GPRESSAVG: 3007000 -26.907 -68.5953 -11.6194 -65.9202 13.6278 -71.4345 -7.21201 -75.0045 -18.721 TIMING: 3007000 CPU: 9503.26, 0.00314604/step Wall: 9503.26, 0.00314604/step, 1.74168 hours remaining, 239.070312 MB of memory in use. ENERGY: 3007000 3905.0491 20556.4275 14371.4206 252.2898 -203214.7374 2649.8953 0.0000 0.0000 51970.7010 -109508.9540 298.6763 -161479.6550 -109147.3617 299.1471 267.0746 289.8943 761520.5982 -10.5489 -10.6667 PRESSURE: 3007200 -179.929 -243.766 52.739 -243.766 -244.961 -136.819 52.7405 -136.819 144.453 GPRESSURE: 3007200 -267.371 -208.805 49.9318 -209.776 -149.46 -97.4731 149.957 -120.47 222.099 PRESSAVG: 3007200 -55.1837 -36.994 7.20036 -36.994 -13.871 3.24422 7.20041 3.24408 4.77855 GPRESSAVG: 3007200 -56.3354 -36.8023 8.95181 -35.8545 -13.4511 2.72514 3.99811 4.41451 5.4663 TIMING: 3007200 CPU: 9503.89, 0.00314772/step Wall: 9503.89, 0.00314772/step, 1.74244 hours remaining, 239.070312 MB of memory in use. ENERGY: 3007200 4001.2865 20522.7327 14356.1065 257.8132 -203341.1758 2658.4097 0.0000 0.0000 52098.3366 -109446.4907 299.4099 -161544.8272 -109091.8012 298.9817 -93.4788 -64.9108 762544.5843 -21.4254 -21.4401 PRESSURE: 3007400 170.202 -198.091 139.5 -198.09 -37.3606 20.7932 139.5 20.7934 310.444 GPRESSURE: 3007400 215.225 -150.798 206.844 -217.277 80.2953 43.8674 232.41 33.2464 227.344 PRESSAVG: 3007400 23.0173 -56.5216 14.6476 -56.5216 -50.9466 -48.2339 14.6477 -48.2339 -10.067 GPRESSAVG: 3007400 23.8837 -54.2905 14.438 -58.9179 -50.611 -48.5841 14.901 -47.2689 -10.6099 TIMING: 3007400 CPU: 9504.51, 0.00313555/step Wall: 9504.51, 0.00313555/step, 1.73553 hours remaining, 239.070312 MB of memory in use. ENERGY: 3007400 3986.7461 20492.0789 14347.3702 249.9846 -203237.7858 2572.6568 0.0000 0.0000 52014.1346 -109574.8147 298.9259 -161588.9493 -109208.7555 299.1887 147.7616 174.2879 761397.5133 -12.6654 -12.4457 PRESSURE: 3007600 -597.008 -33.1582 158.863 -33.1577 -280.079 -158.534 158.864 -158.535 -302.758 GPRESSURE: 3007600 -589.104 41.5544 150.09 21.1661 -270.535 -179.653 78.9191 -168.44 -258.275 PRESSAVG: 3007600 -10.0041 -48.7275 -44.1308 -48.7275 6.33278 -44.2478 -44.1308 -44.2478 10.0419 GPRESSAVG: 3007600 -10.7703 -48.9773 -43.8572 -45.7391 6.31695 -44.8068 -44.6755 -46.8387 10.4551 TIMING: 3007600 CPU: 9505.14, 0.0031252/step Wall: 9505.14, 0.0031252/step, 1.72963 hours remaining, 239.070312 MB of memory in use. ENERGY: 3007600 3979.5881 20623.1524 14353.9454 263.0987 -202907.9207 2240.5738 0.0000 0.0000 51865.0215 -109582.5407 298.0690 -161447.5622 -109219.5431 298.8747 -393.2818 -372.6380 761592.0335 2.1235 2.0006 PRESSURE: 3007800 -123.028 -117.542 -367.306 -117.542 283.016 55.1864 -367.305 55.1858 153.694 GPRESSURE: 3007800 -35.8417 -39.1397 -452.227 -85.1327 211.408 29.5749 -160.091 41.953 219.22 PRESSAVG: 3007800 -8.95577 -41.8637 -4.42196 -41.8637 -15.1224 -33.0018 -4.42187 -33.0017 12.3812 GPRESSAVG: 3007800 -7.3406 -43.3518 -5.81015 -42.3533 -16.7608 -33.96 -3.1692 -32.1044 12.5895 TIMING: 3007800 CPU: 9505.76, 0.00312978/step Wall: 9505.76, 0.00312978/step, 1.73198 hours remaining, 239.070312 MB of memory in use. ENERGY: 3007800 3966.7380 20579.3540 14395.8625 229.5560 -203129.7859 2633.2443 0.0000 0.0000 51777.1984 -109547.8327 297.5643 -161325.0311 -109196.1996 298.7087 104.5606 131.5952 761841.5381 -3.8990 -3.8373 PRESSURE: 3008000 -24.5358 153.417 -115.435 153.417 -98.4231 217.434 -115.434 217.434 108.597 GPRESSURE: 3008000 19.3676 -50.685 -93.9107 113.022 -60.6321 187.991 -149.053 242.62 133.549 PRESSAVG: 3008000 -45.8904 8.42314 5.31805 8.42317 38.403 -31.5014 5.31806 -31.5013 -9.22579 GPRESSAVG: 3008000 -46.7101 10.1197 7.54571 7.75011 39.5332 -30.3439 1.75148 -31.3058 -9.30092 TIMING: 3008000 CPU: 9506.39, 0.00314367/step Wall: 9506.39, 0.00314368/step, 1.7395 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3008000 3921.5293 20486.6442 14400.0912 236.2167 -203329.6262 2727.1300 0.0000 0.0000 51771.1147 -109786.9002 297.5293 -161558.0149 -109431.0153 297.9907 -4.7873 30.7616 763000.6131 -5.5711 -5.4926 PRESSURE: 3008200 -12.4609 -57.7371 -102.429 -57.7375 -331.219 -29.8906 -102.43 -29.8907 -117.506 GPRESSURE: 3008200 93.0564 -114.026 -104.993 -149.847 -291.465 -9.98843 -120.772 74.3395 -157.442 PRESSAVG: 3008200 5.94362 -20.5349 -37.1342 -20.5349 -43.6145 12.0826 -37.1342 12.0826 15.2142 GPRESSAVG: 3008200 6.45389 -20.2419 -39.1372 -22.459 -43.0993 11.9099 -33.5645 12.448 14.476 TIMING: 3008200 CPU: 9507.02, 0.0031388/step Wall: 9507.02, 0.0031388/step, 1.73663 hours remaining, 239.070312 MB of memory in use. ENERGY: 3008200 3967.9073 20398.9747 14432.8075 250.8457 -202958.8619 2505.9614 0.0000 0.0000 51856.9109 -109545.4543 298.0224 -161402.3652 -109190.0409 298.1824 -153.7286 -118.6169 762042.8690 -7.4856 -7.3898 LDB: ============= START OF LOAD BALANCING ============== 9519.42 LDB: ============== END OF LOAD BALANCING =============== 9519.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9519.42 LDB: ============= START OF LOAD BALANCING ============== 9519.74 LDB: Largest compute 7059 load 0.033437 is 17.1% of average load 0.196008 LDB: Average compute 0.004389 is 2.2% of average load 0.196008 LDB: TIME 9519.74 LOAD: AVG 0.196008 MAX 0.212476 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9519.74 LOAD: AVG 0.196008 MAX 0.212476 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 9519.74 LOAD: AVG 0.196008 MAX 0.212476 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 9519.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9519.75 PRESSURE: 3008400 -183.465 55.3586 -207.051 55.3584 -30.2605 -56.0212 -207.052 -56.0208 -307.108 GPRESSURE: 3008400 -21.2306 -14.0884 -160.058 -4.93958 -74.1147 -50.1988 -160.254 -111.004 -329.06 PRESSAVG: 3008400 -6.0822 29.4593 -22.4866 29.4593 7.88716 4.40056 -22.4866 4.40059 10.1976 GPRESSAVG: 3008400 -6.64715 27.4137 -22.7542 29.9189 6.69071 4.87041 -23.4299 2.56333 11.9141 TIMING: 3008400 CPU: 9507.66, 0.00321594/step Wall: 9507.66, 0.00321595/step, 1.77913 hours remaining, 238.468750 MB of memory in use. ENERGY: 3008400 3940.6113 20504.7943 14476.3586 244.5640 -203112.9997 2418.0813 0.0000 0.0000 51897.7559 -109630.8343 298.2571 -161528.5902 -109266.8191 298.8896 -173.6114 -141.4685 761365.9478 4.0009 3.9859 PRESSURE: 3008600 38.2661 -11.417 -121.764 -11.417 -74.4275 3.09742 -121.764 3.09801 170.88 GPRESSURE: 3008600 5.7524 -96.5746 -61.172 30.0676 46.1756 -16.5705 -57.3497 89.1104 162.933 PRESSAVG: 3008600 3.22311 -49.0624 -5.95984 -49.0624 3.23338 6.47682 -5.95988 6.47689 -2.80195 GPRESSAVG: 3008600 4.30657 -48.4944 -5.16525 -46.8769 4.38535 5.69828 -5.06548 5.97379 -4.8136 TIMING: 3008600 CPU: 9508.29, 0.00315537/step Wall: 9508.29, 0.00315537/step, 1.74544 hours remaining, 238.468750 MB of memory in use. ENERGY: 3008600 3952.1498 20446.6910 14480.2282 245.1849 -203190.6042 2522.0228 0.0000 0.0000 51805.0359 -109739.2917 297.7243 -161544.3276 -109373.8902 298.5459 44.9063 71.6203 761096.3314 1.2182 1.2928 PRESSURE: 3008800 -126.026 -96.8665 262.959 -96.8666 -125.514 -15.907 262.959 -15.9073 202.983 GPRESSURE: 3008800 -94.7074 -126.863 214.376 -69.2694 -111.564 -4.37036 108.582 61.0421 231.43 PRESSAVG: 3008800 -26.1914 3.46477 -1.42323 3.4647 21.5395 55.41 -1.42322 55.41 15.4226 GPRESSAVG: 3008800 -27.3298 4.89201 -0.823981 1.98946 20.9258 55.9763 -4.20877 57.2499 16.426 TIMING: 3008800 CPU: 9508.92, 0.00314297/step Wall: 9508.92, 0.00314297/step, 1.73841 hours remaining, 238.468750 MB of memory in use. ENERGY: 3008800 4002.5601 20490.8989 14450.0343 248.1119 -203443.3155 2637.6329 0.0000 0.0000 51809.4769 -109804.6005 297.7498 -161614.0774 -109445.4137 298.6564 -16.1855 8.3861 760923.0383 3.5902 3.3407 PRESSURE: 3009000 72.3936 -10.9968 69.9938 -10.9969 -112.471 105.509 69.9939 105.51 336.451 GPRESSURE: 3009000 123.054 59.1615 13.6931 41.2499 -43.5698 73.3183 89.7796 22.6346 315.769 PRESSAVG: 3009000 -12.5435 0.462828 19.3768 0.462847 -9.15491 25.2812 19.3768 25.2813 17.5357 GPRESSAVG: 3009000 -12.117 -0.0143136 17.4288 0.789549 -9.00851 25.1048 19.4331 24.8976 16.8759 TIMING: 3009000 CPU: 9509.55, 0.00314901/step Wall: 9509.55, 0.00314901/step, 1.74158 hours remaining, 238.468750 MB of memory in use. ENERGY: 3009000 3988.6021 20339.5760 14446.2098 261.6462 -203451.5741 2705.0259 0.0000 0.0000 51875.0854 -109835.4288 298.1268 -161710.5142 -109476.7940 298.6541 98.7911 131.7512 760815.0904 -1.3876 -1.4165 PRESSURE: 3009200 -5.4092 -105.17 -71.2876 -105.17 -87.7333 235.81 -71.288 235.811 63.6936 GPRESSURE: 3009200 52.271 -9.32456 20.3127 -104.315 -20.2455 166.266 -77.9507 75.1234 24.1328 PRESSAVG: 3009200 -57.6309 -21.9204 -5.17891 -21.9205 40.5324 13.8484 -5.17889 13.8483 -1.89352 GPRESSAVG: 3009200 -58.2079 -21.5031 -4.65906 -23.101 40.3204 12.8461 -2.87279 13.8033 -1.09794 TIMING: 3009200 CPU: 9510.18, 0.0031437/step Wall: 9510.18, 0.0031437/step, 1.73846 hours remaining, 238.468750 MB of memory in use. ENERGY: 3009200 4027.0211 20332.3055 14407.7025 249.7957 -203546.4003 2733.4561 0.0000 0.0000 52004.2796 -109791.8398 298.8693 -161796.1194 -109423.2011 298.0033 -9.8163 18.7195 761250.0246 -6.3307 -6.3285 PRESSURE: 3009400 156.097 -194.34 134.565 -194.34 170.93 -189.745 134.565 -189.746 -82.0823 GPRESSURE: 3009400 137.537 -228.476 156.376 -142.155 256.291 -119.467 96.4099 -81.3873 -72.8092 PRESSAVG: 3009400 62.3966 -6.79719 10.3619 -6.79721 -46.7112 -11.3042 10.3619 -11.3042 24.3737 GPRESSAVG: 3009400 62.0894 -6.41357 11.6329 -6.54818 -46.5407 -11.1859 9.75771 -12.8761 24.7036 TIMING: 3009400 CPU: 9510.81, 0.00313712/step Wall: 9510.81, 0.00313712/step, 1.73465 hours remaining, 238.468750 MB of memory in use. ENERGY: 3009400 3918.7492 20261.3651 14504.5847 238.3711 -203357.6008 2588.9789 0.0000 0.0000 51929.9417 -109915.6100 298.4421 -161845.5517 -109548.6868 298.3795 81.6483 107.0063 759721.5210 13.3530 13.4174 PRESSURE: 3009600 -124.811 -180.839 156.192 -180.84 85.0244 -214.729 156.192 -214.73 -42.3542 GPRESSURE: 3009600 -76.9233 -37.9333 164.448 -222.58 92.397 -247.46 72.7212 -163.057 -17.1815 PRESSAVG: 3009600 3.95363 -50.935 57.8999 -50.9351 -21.2781 47.2995 57.8999 47.2994 9.10059 GPRESSAVG: 3009600 3.37373 -52.1494 57.942 -49.3418 -21.6618 48.9593 58.1504 48.6564 9.93694 TIMING: 3009600 CPU: 9511.43, 0.00312176/step Wall: 9511.43, 0.00312176/step, 1.72598 hours remaining, 238.468750 MB of memory in use. ENERGY: 3009600 3970.4381 20530.5338 14446.2929 229.0718 -203775.0303 2761.9067 0.0000 0.0000 51978.0015 -109858.7854 298.7183 -161836.7869 -109509.7502 298.4915 -27.3801 -0.5693 761345.5092 -2.7413 -2.7837 PRESSURE: 3009800 317.334 -16.8447 68.3266 -16.8447 179.032 -25.4085 68.3259 -25.4089 91.892 GPRESSURE: 3009800 369.563 -107.75 119.417 -91.7232 184.967 -110.304 -64.689 -118.292 122.175 PRESSAVG: 3009800 46.3438 10.5491 19.8093 10.5491 -25.0747 -39.0651 19.8094 -39.0652 17.7203 GPRESSAVG: 3009800 47.6277 11.6058 19.5733 9.19031 -25.9796 -39.5076 18.0563 -40.2543 17.0178 TIMING: 3009800 CPU: 9512.06, 0.00313603/step Wall: 9512.06, 0.00313603/step, 1.7337 hours remaining, 238.468750 MB of memory in use. ENERGY: 3009800 3968.6184 20492.3754 14436.0446 258.7291 -203851.9464 2966.2280 0.0000 0.0000 51956.9139 -109773.0370 298.5971 -161729.9509 -109418.0983 298.7364 196.0860 225.5685 760240.6681 12.9965 12.8886 PRESSURE: 3010000 -80.4557 74.4417 -104.804 74.4425 -408.084 87.8535 -104.805 87.8533 -513.147 GPRESSURE: 3010000 -73.5079 -24.8391 -52.8953 109.915 -270.07 149.268 12.2468 128.866 -571.369 PRESSAVG: 3010000 57.8548 0.417394 -51.1034 0.417437 -0.911174 26.8909 -51.1035 26.891 3.84043 GPRESSAVG: 3010000 59.1705 -0.359662 -51.0076 -0.0984585 -0.63656 26.635 -49.4408 26.7101 2.13936 TIMING: 3010000 CPU: 9512.69, 0.00313756/step Wall: 9512.69, 0.00313756/step, 1.73437 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3010000 4012.4425 20636.9112 14454.1212 250.5759 -203329.3377 2372.5569 0.0000 0.0000 51729.1116 -109873.6183 297.2879 -161602.7300 -109521.5986 299.0658 -333.8958 -304.9822 760840.1707 20.2613 20.2244 PRESSURE: 3010200 -250.558 184.752 26.2415 184.752 -542.065 69.5462 26.2413 69.5465 -70.2568 GPRESSURE: 3010200 -205.478 169.216 -45.743 109.989 -460.562 42.3306 46.6153 64.4373 -101.964 PRESSAVG: 3010200 30.039 -32.692 8.99527 -32.692 -46.7684 -8.14636 8.99528 -8.14634 -24.185 GPRESSAVG: 3010200 29.2748 -31.3792 8.89611 -33.1838 -45.503 -8.36761 9.1344 -7.40893 -24.2574 TIMING: 3010200 CPU: 9513.31, 0.00312352/step Wall: 9513.31, 0.00312352/step, 1.72644 hours remaining, 238.468750 MB of memory in use. ENERGY: 3010200 3998.4838 20588.4707 14406.9704 262.2327 -203588.0159 2460.3038 0.0000 0.0000 51863.8193 -110007.7352 298.0621 -161871.5545 -109653.7998 298.3749 -287.6265 -256.0009 759491.5233 -13.6381 -13.4952 PRESSURE: 3010400 39.3843 137.641 199.655 137.641 -110.197 -34.1549 199.654 -34.1559 1.32035 GPRESSURE: 3010400 89.8989 220.548 204.765 32.0605 -30.0481 -44.873 248.003 3.87739 -56.9538 PRESSAVG: 3010400 45.0403 7.43917 -27.7839 7.43914 -29.7655 2.75745 -27.7839 2.75747 3.32902 GPRESSAVG: 3010400 45.1987 5.4609 -27.3635 10.5703 -30.3315 2.15117 -27.7834 4.07666 3.6603 TIMING: 3010400 CPU: 9513.94, 0.00311683/step Wall: 9513.94, 0.00311684/step, 1.72257 hours remaining, 238.468750 MB of memory in use. ENERGY: 3010400 3963.4807 20571.6521 14428.2778 255.2032 -203483.6622 2500.3127 0.0000 0.0000 51827.3620 -109937.3738 297.8526 -161764.7358 -109572.8435 298.5986 -23.1641 0.9657 759271.0675 6.2013 6.1758 PRESSURE: 3010600 -148.877 86.4903 168.028 86.4903 -292.356 0.741651 168.027 0.742704 -285.119 GPRESSURE: 3010600 -221.57 46.592 152.256 -2.3094 -201.233 -134.719 175.035 54.7639 -213.136 PRESSAVG: 3010600 -15.6626 21.2917 -13.841 21.2917 -43.1927 -33.8604 -13.841 -33.8604 -0.853176 GPRESSAVG: 3010600 -16.0581 22.6795 -14.0073 18.1723 -42.6915 -34.4212 -13.5021 -33.8741 -0.614445 TIMING: 3010600 CPU: 9514.56, 0.00311714/step Wall: 9514.56, 0.00311714/step, 1.72257 hours remaining, 238.468750 MB of memory in use. ENERGY: 3010600 4032.2344 20510.6814 14430.7549 227.1742 -203930.8957 2656.3584 0.0000 0.0000 52147.6414 -109926.0510 299.6932 -162073.6924 -109560.0597 298.9756 -242.1172 -211.9798 759585.1342 -19.9028 -19.7880 PRESSURE: 3010800 56.6742 262.465 16.1921 262.465 229.228 82.1388 16.1917 82.139 118.43 GPRESSURE: 3010800 141.661 102.378 47.3871 208.313 224.615 120.993 -6.55094 -3.85901 113.598 PRESSAVG: 3010800 7.53016 53.159 6.63791 53.159 -20.3254 -23.7991 6.63798 -23.7992 15.883 GPRESSAVG: 3010800 8.19702 51.0895 6.91495 55.7607 -20.5744 -23.6804 8.38941 -24.7558 15.7387 TIMING: 3010800 CPU: 9515.19, 0.00313308/step Wall: 9515.19, 0.00313308/step, 1.7312 hours remaining, 238.468750 MB of memory in use. ENERGY: 3010800 3946.1846 20629.8813 14388.5230 262.9295 -203670.0026 2515.1159 0.0000 0.0000 52034.4615 -109892.9068 299.0428 -161927.3683 -109533.4049 298.9292 134.7774 159.9576 760742.4369 1.0292 1.1204 PRESSURE: 3011000 33.7101 -40.8082 35.0479 -40.8082 232.317 -1.36775 35.0485 -1.36907 -11.9987 GPRESSURE: 3011000 84.3385 10.6729 28.9907 -40.6586 203.252 40.8458 5.94053 24.344 58.3527 PRESSAVG: 3011000 6.04133 2.88169 20.5312 2.88172 29.0946 27.6136 20.5312 27.6137 -6.33439 GPRESSAVG: 3011000 5.24454 4.25516 20.7474 2.22772 28.9189 26.9342 17.3564 29.2613 -5.05386 TIMING: 3011000 CPU: 9515.81, 0.00311071/step Wall: 9515.81, 0.00311071/step, 1.71867 hours remaining, 238.468750 MB of memory in use. ENERGY: 3011000 3986.6214 20621.1099 14390.5814 233.2580 -204082.0465 3053.0800 0.0000 0.0000 51796.3012 -110001.0945 297.6741 -161797.3958 -109648.8044 298.7202 84.6763 115.3145 761651.6932 9.6005 9.7032 PRESSURE: 3011200 212.285 -215.476 -75.5103 -215.475 -184.399 -9.4321 -75.5113 -9.43214 73.5262 GPRESSURE: 3011200 285.577 -111.404 -135.134 -163.383 -171.529 38.9598 80.6922 -107.425 81.6325 PRESSAVG: 3011200 -20.8705 46.3698 41.4428 46.3699 -31.3343 42.2335 41.4429 42.2335 1.86838 GPRESSAVG: 3011200 -19.0679 46.1196 40.4764 47.1856 -31.0419 42.8337 44.3823 42.3549 0.183963 TIMING: 3011200 CPU: 9516.44, 0.00314085/step Wall: 9516.44, 0.00314085/step, 1.73515 hours remaining, 238.468750 MB of memory in use. ENERGY: 3011200 3955.7359 20708.1136 14477.5415 242.4884 -203867.5297 2734.0171 0.0000 0.0000 52007.8277 -109741.8056 298.8897 -161749.6333 -109378.9100 298.1057 33.8038 65.2267 762758.2749 -16.7788 -16.6419 PRESSURE: 3011400 11.711 -122.057 72.6448 -122.057 -87.4608 -75.1197 72.6443 -75.119 -73.5304 GPRESSURE: 3011400 10.9357 -105.338 -12.0581 -137.656 37.9316 -25.8778 66.302 14.5239 -112.366 PRESSAVG: 3011400 19.7175 8.45247 -22.797 8.45249 -2.9148 16.2097 -22.797 16.2097 2.94999 GPRESSAVG: 3011400 18.3668 9.17759 -22.1263 5.68488 -2.92397 16.6416 -26.0233 16.2502 4.53787 TIMING: 3011400 CPU: 9517.06, 0.00313843/step Wall: 9517.06, 0.00313843/step, 1.73364 hours remaining, 238.468750 MB of memory in use. ENERGY: 3011400 3956.4744 20584.9866 14377.9059 253.4386 -203430.2793 2522.7846 0.0000 0.0000 51882.0078 -109852.6815 298.1666 -161734.6893 -109494.7285 298.3648 -49.7601 -21.1662 762244.1449 6.5842 6.6602 PRESSURE: 3011600 -18.7743 -157.671 122.625 -157.671 -235.878 100.119 122.626 100.119 -51.8428 GPRESSURE: 3011600 26.6173 -145.44 150.686 -83.2642 -219.66 117.704 82.0832 86.7543 -20.3464 PRESSAVG: 3011600 -0.773396 -7.89754 22.2895 -7.89753 -5.99112 14.1385 22.2895 14.1385 8.35693 GPRESSAVG: 3011600 0.170995 -9.95836 22.3927 -6.40949 -6.14903 13.5503 22.9502 13.2288 7.38921 TIMING: 3011600 CPU: 9517.69, 0.00313855/step Wall: 9517.69, 0.00313855/step, 1.73352 hours remaining, 238.468750 MB of memory in use. ENERGY: 3011600 4023.5183 20460.0841 14340.4499 260.2836 -203579.0001 2522.1810 0.0000 0.0000 52199.5133 -109772.9699 299.9913 -161972.4832 -109411.5739 298.2064 -102.1649 -71.1298 761971.5384 0.5308 0.4704 PRESSURE: 3011800 92.5069 143.713 -44.176 143.713 199.718 -53.19 -44.176 -53.1888 115.961 GPRESSURE: 3011800 63.3914 174.275 -141.471 18.7144 150.157 -40.221 -8.98313 -46.4932 296.037 PRESSAVG: 3011800 28.0323 -15.1168 -21.9618 -15.1169 -7.82923 48.3224 -21.9619 48.3224 15.6602 GPRESSAVG: 3011800 26.6823 -13.8428 -21.8025 -14.9715 -7.90478 48.0468 -20.526 48.8885 17.7931 TIMING: 3011800 CPU: 9518.32, 0.00312195/step Wall: 9518.32, 0.00312195/step, 1.72419 hours remaining, 238.468750 MB of memory in use. ENERGY: 3011800 4023.4457 20610.6959 14383.3167 243.6311 -203881.8088 3094.3755 0.0000 0.0000 52029.9602 -109496.3837 299.0169 -161526.3439 -109144.5099 299.2182 136.0619 169.8617 762371.3103 11.9544 12.1902 PRESSURE: 3012000 109.188 79.2636 32.6813 79.263 -208.345 366.537 32.6819 366.537 34.3403 GPRESSURE: 3012000 213.704 -40.8782 -85.6232 57.4273 -176.61 362.003 -6.57586 153.804 -18.2214 PRESSAVG: 3012000 41.8487 -84.8468 8.93663 -84.8468 -74.0403 58.4069 8.9366 58.4069 12.4194 GPRESSAVG: 3012000 43.9554 -85.0308 6.91228 -84.9294 -74.7508 58.8586 10.2007 56.6159 10.5527 TIMING: 3012000 CPU: 9518.95, 0.00315072/step Wall: 9518.95, 0.00315072/step, 1.7399 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3012000 3977.3938 20499.9196 14366.0990 229.7391 -203782.0762 3029.8956 0.0000 0.0000 52022.2714 -109656.7577 298.9727 -161679.0291 -109287.4818 298.6068 -21.6056 6.2908 763532.8131 -6.5907 -6.7476 PRESSURE: 3012200 280.777 42.3938 104.189 42.3941 -165.727 5.73834 104.188 5.73846 -122.468 GPRESSURE: 3012200 249.79 164.244 190.322 25.2249 -60.5998 30.9778 -69.4961 -0.247061 -114.502 PRESSAVG: 3012200 51.1287 -30.7843 -5.73047 -30.7843 -9.20531 54.238 -5.73049 54.238 -2.31929 GPRESSAVG: 3012200 49.1149 -31.006 -3.08038 -29.8022 -8.69532 55.5343 -8.55535 54.1019 -0.9754 TIMING: 3012200 CPU: 9519.57, 0.00311935/step Wall: 9519.57, 0.00311935/step, 1.7224 hours remaining, 238.468750 MB of memory in use. ENERGY: 3012200 3990.4048 20562.1304 14358.6980 262.0140 -203371.9554 2636.9635 0.0000 0.0000 52030.9999 -109530.7449 299.0229 -161561.7448 -109168.6571 299.0840 -2.4728 24.8961 762016.6346 13.2014 13.1481 LDB: ============= START OF LOAD BALANCING ============== 9531.97 LDB: ============== END OF LOAD BALANCING =============== 9531.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9531.97 LDB: ============= START OF LOAD BALANCING ============== 9532.29 LDB: Largest compute 7029 load 0.031274 is 15.9% of average load 0.196111 LDB: Average compute 0.004409 is 2.2% of average load 0.196111 LDB: TIME 9532.29 LOAD: AVG 0.196111 MAX 0.213337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 9532.29 LOAD: AVG 0.196111 MAX 0.213337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: TIME 9532.29 LOAD: AVG 0.196111 MAX 0.213337 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: ============== END OF LOAD BALANCING =============== 9532.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9532.3 PRESSURE: 3012400 -53.7105 15.526 -106.32 15.5254 145.801 -41.019 -106.32 -41.0185 -178.073 GPRESSURE: 3012400 16.3051 98.4128 -162.813 -2.15466 176.667 -64.4323 15.5496 -36.1231 -201.404 PRESSAVG: 3012400 88.5495 -44.1696 3.35538 -44.1695 -53.4951 21.1298 3.35537 21.1298 17.9935 GPRESSAVG: 3012400 90.8271 -42.5134 3.61927 -45.9182 -53.6468 20.4601 3.51342 20.9001 16.4337 TIMING: 3012400 CPU: 9520.22, 0.00322412/step Wall: 9520.22, 0.00322412/step, 1.78007 hours remaining, 238.460938 MB of memory in use. ENERGY: 3012400 3982.1100 20385.2986 14452.2710 222.0898 -203440.2175 2736.8312 0.0000 0.0000 51893.2598 -109768.3570 298.2313 -161661.6169 -109395.9030 298.9467 -28.6607 -2.8107 762665.0094 17.6826 17.8713 PRESSURE: 3012600 138.217 118.622 -126.463 118.621 -232.551 9.90222 -126.464 9.90121 -215.258 GPRESSURE: 3012600 224.671 -34.9245 -68.8495 129.792 -335.564 -43.0917 -176.054 -31.2425 -119.446 PRESSAVG: 3012600 -30.3871 -36.7858 -5.32734 -36.7858 -5.81595 -30.8302 -5.32731 -30.8303 24.5325 GPRESSAVG: 3012600 -30.6793 -37.6844 -7.07252 -35.7855 -7.46281 -30.0262 -5.36152 -29.9482 26.3778 TIMING: 3012600 CPU: 9520.84, 0.00312601/step Wall: 9520.84, 0.00312601/step, 1.72573 hours remaining, 238.460938 MB of memory in use. ENERGY: 3012600 3972.1432 20538.0124 14382.2487 251.2737 -203596.7013 2642.5705 0.0000 0.0000 52148.3059 -109662.1470 299.6970 -161810.4529 -109304.5959 298.4941 -103.1973 -76.7794 762144.3074 -3.8902 -3.9214 PRESSURE: 3012800 -72.6619 -183.283 186.654 -183.284 29.0129 -20.0487 186.654 -20.0477 -318.116 GPRESSURE: 3012800 -92.5597 -127.286 235.168 -225.312 72.7889 -5.55019 -40.2699 -52.9173 -242.149 PRESSAVG: 3012800 -8.80223 -57.579 -6.9322 -57.579 3.69607 0.829051 -6.93218 0.828917 -3.96944 GPRESSAVG: 3012800 -10.2567 -56.4202 -7.61584 -60.9253 5.97328 0.462278 -8.06962 0.334674 -3.84681 TIMING: 3012800 CPU: 9521.47, 0.00312828/step Wall: 9521.47, 0.00312828/step, 1.72681 hours remaining, 238.460938 MB of memory in use. ENERGY: 3012800 3988.7088 20410.2190 14447.6424 243.4990 -203092.8926 2552.0662 0.0000 0.0000 51899.0338 -109551.7234 298.2645 -161450.7572 -109199.2617 298.6230 -120.5884 -87.3066 762780.6933 -3.0252 -2.7101 PRESSURE: 3013000 -82.4959 -19.0091 -1.17171 -19.0079 -41.3845 100.826 -1.17187 100.826 118.504 GPRESSURE: 3013000 -29.992 -30.2546 -91.5816 -54.8228 -54.8114 165.535 8.23336 47.9436 163.816 PRESSAVG: 3013000 49.6577 -57.9436 20.1671 -57.9436 -7.81797 -8.09699 20.167 -8.09697 -11.2395 GPRESSAVG: 3013000 50.6284 -61.2912 21.0026 -53.6184 -7.85264 -7.55668 21.1744 -7.41669 -12.3497 TIMING: 3013000 CPU: 9522.1, 0.00315889/step Wall: 9522.1, 0.00315889/step, 1.74353 hours remaining, 238.460938 MB of memory in use. ENERGY: 3013000 3877.9879 20490.9341 14402.7426 232.3591 -202987.0689 2575.6102 0.0000 0.0000 51738.6946 -109668.7405 297.3430 -161407.4351 -109301.0215 299.0474 -1.7922 26.3377 762328.8996 10.2001 10.1420 PRESSURE: 3013200 70.6899 -112.914 -45.2897 -112.915 266.154 48.8664 -45.2898 48.8673 276.297 GPRESSURE: 3013200 105.361 -10.7449 20.191 -135.035 279.929 65.7865 -71.3152 113.414 309.942 PRESSAVG: 3013200 -28.7068 -54.705 45.466 -54.705 29.5658 40.0308 45.4661 40.0308 23.1527 GPRESSAVG: 3013200 -28.1022 -51.8716 45.0598 -56.9918 29.6231 40.6292 45.4966 39.4935 21.6545 TIMING: 3013200 CPU: 9522.73, 0.00313708/step Wall: 9522.73, 0.00313708/step, 1.73132 hours remaining, 238.460938 MB of memory in use. ENERGY: 3013200 3962.6511 20548.5917 14384.6702 253.3039 -203596.9867 2655.7952 0.0000 0.0000 52312.1135 -109479.8612 300.6384 -161791.9746 -109107.6748 299.3236 204.3804 231.7441 761796.3147 8.0039 7.7251 PRESSURE: 3013400 474.893 88.2228 72.2866 88.2224 -24.1208 -140.068 72.2858 -140.068 -227.038 GPRESSURE: 3013400 465.915 -26.7388 135.785 41.5529 -25.3304 -220.148 155.174 -148.15 -110.423 PRESSAVG: 3013400 -2.0559 -8.95093 -13.4377 -8.95097 -20.4005 0.371317 -13.4377 0.371264 24.0306 GPRESSAVG: 3013400 -2.65285 -10.2846 -12.0438 -9.86246 -20.0601 0.323989 -11.9228 0.0426834 24.1571 TIMING: 3013400 CPU: 9523.35, 0.00313656/step Wall: 9523.35, 0.00313656/step, 1.73086 hours remaining, 238.460938 MB of memory in use. ENERGY: 3013400 3981.6725 20568.0033 14374.5678 261.2205 -203594.5486 2614.0676 0.0000 0.0000 52034.5574 -109760.4596 299.0433 -161795.0170 -109403.4783 298.9067 74.5781 110.0538 761219.2407 0.5247 0.4814 PRESSURE: 3013600 -257.021 81.972 -1.49099 81.9721 -345.658 26.269 -1.4919 26.2686 -384.92 GPRESSURE: 3013600 -222.916 70.6249 -15.4093 7.80061 -331.497 -8.48007 38.4896 -118.913 -321.605 PRESSAVG: 3013600 1.03191 -24.5449 -33.6042 -24.5449 -27.697 -17.0101 -33.6041 -17.0101 -11.9259 GPRESSAVG: 3013600 -0.283304 -22.8143 -33.6343 -25.0719 -26.6785 -17.5065 -34.595 -17.8438 -11.5007 TIMING: 3013600 CPU: 9523.98, 0.00315262/step Wall: 9523.98, 0.00315263/step, 1.73955 hours remaining, 238.460938 MB of memory in use. ENERGY: 3013600 4083.7228 20484.7359 14382.0202 240.1000 -203721.4917 2679.1268 0.0000 0.0000 51832.9864 -110018.7997 297.8849 -161851.7861 -109669.8584 298.3002 -329.1997 -292.0060 762333.3327 -12.8637 -12.8208 PRESSURE: 3013800 31.0921 -47.9386 -161.398 -47.9389 269.633 165.989 -161.398 165.989 -61.7008 GPRESSURE: 3013800 23.3575 -12.5894 -190.173 -39.7824 287.065 174.125 -9.70199 92.7715 12.046 PRESSAVG: 3013800 -11.5794 -57.7338 -34.2206 -57.7338 23.6037 12.1025 -34.2206 12.1025 -13.7981 GPRESSAVG: 3013800 -11.1843 -59.1231 -35.9951 -57.3225 22.7278 11.5343 -32.8156 13.2517 -13.1078 TIMING: 3013800 CPU: 9524.61, 0.00313176/step Wall: 9524.61, 0.00313176/step, 1.72786 hours remaining, 238.460938 MB of memory in use. ENERGY: 3013800 4001.9914 20566.3056 14317.1490 232.6345 -203713.1379 2572.8617 0.0000 0.0000 52133.1498 -109889.0458 299.6099 -162022.1957 -109525.3220 298.3808 79.6749 107.4894 760603.3757 -0.5913 -0.5214 PRESSURE: 3014000 -72.3228 -123.734 113.59 -123.734 -181.065 -146.921 113.589 -146.922 162.262 GPRESSURE: 3014000 -71.1283 -28.2966 65.6024 -242.264 -127.54 -123.502 172.792 -218.908 185.401 PRESSAVG: 3014000 -29.0605 -15.0233 6.23213 -15.0232 26.1829 -6.44723 6.23207 -6.44726 -3.03773 GPRESSAVG: 3014000 -28.1032 -12.5748 7.74073 -15.77 25.6628 -5.77248 3.29648 -7.70461 -3.55968 TIMING: 3014000 CPU: 9525.24, 0.00315271/step Wall: 9525.24, 0.00315272/step, 1.73925 hours remaining, 238.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3014000 3887.8805 20470.9787 14397.9048 247.5789 -203586.3452 2615.6806 0.0000 0.0000 51869.7981 -110096.5237 298.0964 -161966.3218 -109722.5817 298.1482 -30.3754 -4.4224 761850.6315 -1.9718 -2.0000 PRESSURE: 3014200 38.8727 56.4018 -73.1626 56.402 -158.558 21.4512 -73.162 21.4514 64.4786 GPRESSURE: 3014200 10.7706 -91.8805 -141.602 68.5179 -76.6488 30.3475 -109.867 -48.7383 87.6824 PRESSAVG: 3014200 -18.271 -9.08625 -9.04606 -9.08623 5.16973 9.95013 -9.04607 9.95017 31.67 GPRESSAVG: 3014200 -18.0144 -10.9051 -7.31637 -7.50735 4.57135 8.65234 -8.11019 11.6035 31.9313 TIMING: 3014200 CPU: 9525.86, 0.00311894/step Wall: 9525.86, 0.00311894/step, 1.72044 hours remaining, 238.460938 MB of memory in use. ENERGY: 3014200 3947.0265 20670.1610 14399.7265 265.1205 -203427.7139 2660.2004 0.0000 0.0000 51792.5601 -109692.9189 297.6526 -161485.4790 -109341.9788 298.4315 -18.4022 7.2680 762614.2403 6.1896 6.1627 PRESSURE: 3014400 203.473 38.4283 -36.4136 38.4284 -95.2225 -2.64269 -36.4133 -2.6432 -208.512 GPRESSURE: 3014400 158.033 -111.536 6.79557 48.3574 -2.10982 -82.7721 -5.49574 43.2871 -190.286 PRESSAVG: 3014400 2.1237 -24.5852 -68.4954 -24.5852 -14.6043 30.4145 -68.4954 30.4146 0.0641918 GPRESSAVG: 3014400 0.96409 -25.0973 -70.231 -24.7461 -12.4481 30.0509 -69.325 30.309 -1.18754 TIMING: 3014400 CPU: 9526.49, 0.00313473/step Wall: 9526.49, 0.00313473/step, 1.72898 hours remaining, 238.460938 MB of memory in use. ENERGY: 3014400 3940.3239 20462.2612 14450.6801 237.3972 -203294.9347 2426.4691 0.0000 0.0000 52076.0643 -109701.7390 299.2819 -161777.8033 -109341.5102 298.1817 -33.4204 -11.4542 763687.1966 -4.1388 -4.2239 PRESSURE: 3014600 313.641 -30.9557 20.9437 -30.9547 246.265 -123.484 20.9437 -123.484 329.844 GPRESSURE: 3014600 305.556 94.1539 72.6104 12.7903 323.721 -215.48 56.0856 -35.6456 333.035 PRESSAVG: 3014600 31.1131 -51.8185 -10.1731 -51.8185 27.0633 -20.2813 -10.173 -20.2813 -18.3992 GPRESSAVG: 3014600 32.3616 -51.2957 -10.0001 -52.1967 25.6069 -19.9811 -9.53683 -19.4556 -17.7947 TIMING: 3014600 CPU: 9527.12, 0.0031482/step Wall: 9527.12, 0.0031482/step, 1.73623 hours remaining, 238.460938 MB of memory in use. ENERGY: 3014600 3935.5857 20584.6664 14458.4214 239.0558 -203543.0325 2563.1184 0.0000 0.0000 52037.0120 -109725.1729 299.0574 -161762.1849 -109354.8967 298.4084 296.5830 320.7708 761220.5095 13.2591 13.3913 PRESSURE: 3014800 27.1712 -80.7593 150.821 -80.7592 -130.172 111.747 150.821 111.747 -65.0719 GPRESSURE: 3014800 54.355 -42.7993 229.16 -139.627 -7.51933 209.906 45.1741 51.9188 -141.279 PRESSAVG: 3014800 10.6971 -28.7639 8.84719 -28.7639 19.5845 22.9822 8.84723 22.9821 -5.02175 GPRESSAVG: 3014800 9.19817 -27.5165 8.96561 -28.518 21.0383 24.3205 11.5644 22.3343 -5.06396 TIMING: 3014800 CPU: 9527.75, 0.00314354/step Wall: 9527.75, 0.00314354/step, 1.73349 hours remaining, 238.460938 MB of memory in use. ENERGY: 3014800 4002.4863 20526.5878 14435.6432 253.3541 -203604.9540 2570.6132 0.0000 0.0000 51996.2756 -109819.9937 298.8233 -161816.2694 -109455.6383 298.3471 -56.0242 -31.4809 761634.8823 8.4200 8.3908 PRESSURE: 3015000 164.198 -193.608 -200.797 -193.607 -69.222 -320.382 -200.797 -320.384 -222.691 GPRESSURE: 3015000 170.104 -77.2114 -214.143 -218.608 4.83209 -283.508 -33.1842 -252.906 -224.684 PRESSAVG: 3015000 0.0609341 -10.8226 11.7389 -10.8226 36.9694 0.128758 11.7389 0.128712 45.905 GPRESSAVG: 3015000 0.532287 -10.7847 11.8409 -10.355 36.3817 0.0232478 9.62643 -1.54879 45.8765 TIMING: 3015000 CPU: 9528.37, 0.00312708/step Wall: 9528.37, 0.00312708/step, 1.72424 hours remaining, 238.460938 MB of memory in use. ENERGY: 3015000 3961.3633 20471.5988 14433.8944 241.6374 -203244.0660 2440.3616 0.0000 0.0000 51893.1713 -109802.0392 298.2308 -161695.2105 -109443.5908 298.0613 -42.5718 -16.5829 760276.1166 27.6451 27.5968 PRESSURE: 3015200 -75.7163 -205.094 -181.526 -205.093 75.3908 106.75 -181.525 106.751 9.28396 GPRESSURE: 3015200 -43.994 -100.556 -129.486 -154.17 99.6752 118.37 -116.029 92.4198 40.0769 PRESSAVG: 3015200 -41.8183 -18.0511 8.32966 -18.0511 -8.40126 7.58728 8.32958 7.58724 7.91341 GPRESSAVG: 3015200 -42.0725 -17.7893 9.32071 -17.3985 -7.80434 7.12448 9.41933 8.67201 7.95346 TIMING: 3015200 CPU: 9529, 0.00312273/step Wall: 9529, 0.00312273/step, 1.72167 hours remaining, 238.460938 MB of memory in use. ENERGY: 3015200 3970.0140 20522.8856 14407.9322 237.1878 -203533.6438 2605.5355 0.0000 0.0000 51871.2575 -109918.8313 298.1048 -161790.0887 -109558.5399 297.8264 2.9862 31.9194 761631.5493 -14.1021 -13.9745 PRESSURE: 3015400 59.0901 -34.8405 1.59495 -34.8401 228.608 181.693 1.59546 181.693 37.3139 GPRESSURE: 3015400 87.506 -92.5187 37.7712 -17.1918 252.251 210.524 -100.319 123.641 79.3232 PRESSAVG: 3015400 26.5244 30.2813 -10.8486 30.2813 27.6431 71.8595 -10.8486 71.8595 15.3119 GPRESSAVG: 3015400 25.763 29.4398 -10.2929 29.0948 26.3645 71.651 -12.7547 72.7743 17.435 TIMING: 3015400 CPU: 9529.62, 0.00312504/step Wall: 9529.62, 0.00312504/step, 1.72276 hours remaining, 238.460938 MB of memory in use. ENERGY: 3015400 4021.2859 20435.8854 14466.6598 247.6310 -203653.0453 2703.9319 0.0000 0.0000 51823.1300 -109954.5213 297.8282 -161777.6513 -109607.1976 298.4076 108.3372 139.6934 760705.6360 23.1598 23.1875 PRESSURE: 3015600 57.2136 -195.583 -21.4304 -195.584 156.728 307.43 -21.4308 307.43 297.885 GPRESSURE: 3015600 27.5473 -212.609 10.0276 -191.889 231.917 335.175 57.7186 213.657 349.073 PRESSAVG: 3015600 13.6475 35.77 -8.05142 35.7699 15.0413 51.129 -8.05145 51.1291 27.2389 GPRESSAVG: 3015600 14.1584 35.0683 -8.81046 34.8471 14.8691 52.0714 -8.66321 49.1873 26.1836 TIMING: 3015600 CPU: 9530.25, 0.00310752/step Wall: 9530.25, 0.00310752/step, 1.71293 hours remaining, 238.460938 MB of memory in use. ENERGY: 3015600 3924.4817 20453.8281 14446.4522 242.1571 -203787.3756 2955.2234 0.0000 0.0000 51794.1610 -109971.0721 297.6618 -161765.2331 -109623.3079 298.3649 170.6088 202.8459 761561.9293 18.6425 18.4037 PRESSURE: 3015800 337.76 -2.0982 -123.959 -2.09796 84.6842 -80.7284 -123.959 -80.7283 201.347 GPRESSURE: 3015800 273.922 -7.88112 -208.329 1.09787 216.698 -136.286 -141.176 -192.11 235.771 PRESSAVG: 3015800 -30.5512 24.4566 -19.3693 24.4566 37.3337 -34.5897 -19.3693 -34.5898 3.75699 GPRESSAVG: 3015800 -30.0171 26.0867 -19.4359 25.4512 37.6022 -36.4914 -19.6682 -32.097 3.17417 TIMING: 3015800 CPU: 9530.87, 0.0031149/step Wall: 9530.87, 0.0031149/step, 1.71683 hours remaining, 238.460938 MB of memory in use. ENERGY: 3015800 3992.6241 20594.3373 14381.2108 235.6960 -203929.6673 2955.6118 0.0000 0.0000 51799.1878 -109970.9996 297.6906 -161770.1873 -109614.2388 298.2059 207.9306 242.1304 761288.1513 3.5132 3.5864 PRESSURE: 3016000 27.6259 -146.528 -92.5525 -146.528 -253.249 20.8563 -92.5523 20.8569 153.736 GPRESSURE: 3016000 32.2408 -135.991 -156.833 -145.57 -201.636 -67.6559 -111.788 20.902 181.619 PRESSAVG: 3016000 -15.2049 -30.9427 3.08706 -30.9427 8.11354 -30.4123 3.08705 -30.4122 -8.85304 GPRESSAVG: 3016000 -14.9227 -32.9085 4.80786 -30.2218 7.81341 -30.1209 5.49289 -32.5526 -8.8082 TIMING: 3016000 CPU: 9531.5, 0.0031315/step Wall: 9531.5, 0.0031315/step, 1.7258 hours remaining, 238.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3016000 3923.9841 20468.3647 14481.6835 240.4300 -203524.1202 2572.2731 0.0000 0.0000 51918.8636 -109918.5212 298.3784 -161837.3848 -109553.1356 298.0150 -23.9621 4.0747 761286.5330 -5.3148 -5.3058 PRESSURE: 3016200 42.8033 66.6254 -115.392 66.6253 -138.742 43.3669 -115.393 43.367 -10.0314 GPRESSURE: 3016200 120.218 -27.137 -86.8026 137.858 -173.16 15.0595 -125.586 159.95 34.0745 PRESSAVG: 3016200 25.7167 -28.4689 -17.0556 -28.4689 -28.8465 -16.6053 -17.0556 -16.6053 19.7882 GPRESSAVG: 3016200 24.8153 -29.6629 -18.8799 -29.3864 -28.0076 -15.4559 -19.2121 -15.1975 19.694 TIMING: 3016200 CPU: 9532.12, 0.00314732/step Wall: 9532.12, 0.00314732/step, 1.73435 hours remaining, 238.460938 MB of memory in use. ENERGY: 3016200 3965.2984 20612.1098 14307.5393 256.8506 -203493.4747 2522.4846 0.0000 0.0000 51798.1648 -110031.0271 297.6848 -161829.1919 -109681.1983 297.9350 -35.3232 -6.2893 759807.6945 5.5528 5.5006 LDB: ============= START OF LOAD BALANCING ============== 9544.52 LDB: ============== END OF LOAD BALANCING =============== 9544.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9544.52 LDB: ============= START OF LOAD BALANCING ============== 9544.83 LDB: Largest compute 7058 load 0.030656 is 15.6% of average load 0.196129 LDB: Average compute 0.004388 is 2.2% of average load 0.196129 LDB: TIME 9544.84 LOAD: AVG 0.196129 MAX 0.215028 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.949 MB LDB: TIME 9544.84 LOAD: AVG 0.196129 MAX 0.215028 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 9544.84 LOAD: AVG 0.196129 MAX 0.215028 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 9544.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9544.84 PRESSURE: 3016400 -250.123 -83.0329 -42.5387 -83.0332 -413.698 126.737 -42.5392 126.737 -156.613 GPRESSURE: 3016400 -130.242 74.3505 -167.114 -75.6716 -416.192 109.078 -28.9285 109.638 -185.399 PRESSAVG: 3016400 15.0626 16.7037 7.42598 16.7036 1.32547 31.7285 7.42606 31.7284 14.0024 GPRESSAVG: 3016400 15.8512 16.9873 7.00395 17.0956 -0.104583 30.0955 7.5019 29.6397 14.7709 TIMING: 3016400 CPU: 9532.76, 0.00318288/step Wall: 9532.76, 0.00318288/step, 1.75377 hours remaining, 237.699219 MB of memory in use. ENERGY: 3016400 3916.2964 20418.6551 14453.8724 252.7914 -203465.0353 2280.9101 0.0000 0.0000 52137.8822 -110004.6278 299.6371 -162142.5100 -109636.9583 298.4845 -273.4778 -243.9444 761545.9928 10.1302 10.1725 PRESSURE: 3016600 194.672 6.78683 -0.0664948 6.78585 68.06 463.224 -0.0670671 463.224 -105.44 GPRESSURE: 3016600 126.858 -2.65029 -19.8302 -100.65 148.13 417.044 54.4424 415.211 -10.4705 PRESSAVG: 3016600 11.1874 -6.90601 4.14576 -6.90605 -13.4276 1.87285 4.1457 1.8728 -0.507202 GPRESSAVG: 3016600 10.5958 -7.59279 5.31721 -5.79183 -12.7278 1.77006 2.89563 2.88887 -1.07862 TIMING: 3016600 CPU: 9533.38, 0.0031188/step Wall: 9533.38, 0.0031188/step, 1.71829 hours remaining, 237.699219 MB of memory in use. ENERGY: 3016600 4033.0996 20569.8435 14321.1678 232.3836 -204049.2784 3019.7745 0.0000 0.0000 52256.0242 -109616.9852 300.3161 -161873.0094 -109257.8334 298.8891 52.4308 88.1728 761030.6020 -0.9158 -1.0702 PRESSURE: 3016800 -57.1283 43.4607 -104.417 43.4606 -306.57 -128.486 -104.416 -128.486 232.872 GPRESSURE: 3016800 13.3941 27.5758 -60.8285 177.95 -274.673 -22.3122 -100.039 -119.917 219.079 PRESSAVG: 3016800 54.9625 5.20184 41.1399 5.20186 -75.1576 3.29248 41.1399 3.29243 11.3754 GPRESSAVG: 3016800 55.1367 6.05658 39.2602 4.39586 -75.5725 4.21048 44.5573 5.44395 11.3624 TIMING: 3016800 CPU: 9534.01, 0.00314146/step Wall: 9534.01, 0.00314146/step, 1.7306 hours remaining, 237.699219 MB of memory in use. ENERGY: 3016800 4004.9293 20361.9473 14388.7647 259.1831 -203437.3464 2721.8133 0.0000 0.0000 52164.1297 -109536.5791 299.7880 -161700.7088 -109163.7088 299.4940 -43.6088 -14.0667 762217.0768 -2.9399 -3.0245 PRESSURE: 3017000 127.337 114.471 120.812 114.471 216.711 -79.6759 120.812 -79.6754 292.73 GPRESSURE: 3017000 186.886 118.948 84.7155 85.5323 199.66 -84.3997 154.191 -173.986 332.127 PRESSAVG: 3017000 -7.03617 36.8177 -38.521 36.8178 -23.5736 -6.37476 -38.521 -6.37473 7.64012 GPRESSAVG: 3017000 -6.53468 39.7674 -38.6454 34.8618 -24.0408 -6.40831 -37.6741 -8.66281 7.392 TIMING: 3017000 CPU: 9534.64, 0.00314896/step Wall: 9534.64, 0.00314896/step, 1.73455 hours remaining, 237.699219 MB of memory in use. ENERGY: 3017000 3983.1489 20595.9227 14359.8903 255.3059 -203136.6938 2464.0385 0.0000 0.0000 51726.2878 -109752.0996 297.2717 -161478.3874 -109404.5474 299.1190 212.2594 239.5576 761288.0813 -7.6565 -7.7278 PRESSURE: 3017200 -198.981 -175.188 -3.28503 -175.189 -97.9971 -138.377 -3.28454 -138.378 -122.094 GPRESSURE: 3017200 -129.71 -163.173 -80.7912 -53.2779 -84.4252 -145.275 48.4875 -133.868 -107.172 PRESSAVG: 3017200 31.1419 -17.8116 -52.2339 -17.8115 -25.6261 -23.7101 -52.2338 -23.7102 -9.84245 GPRESSAVG: 3017200 29.2714 -21.1302 -51.8417 -15.8028 -24.5268 -24.1954 -53.6971 -23.401 -9.36538 TIMING: 3017200 CPU: 9535.27, 0.0031209/step Wall: 9535.27, 0.0031209/step, 1.71892 hours remaining, 237.699219 MB of memory in use. ENERGY: 3017200 3994.8773 20515.4219 14407.4405 231.9038 -203471.2427 2417.9262 0.0000 0.0000 52062.8913 -109840.7818 299.2062 -161903.6731 -109472.1484 298.3803 -139.6907 -107.1024 760917.3849 -1.4422 -1.5402 PRESSURE: 3017400 -178.439 50.8818 -5.64054 50.8822 187.656 -83.88 -5.6399 -83.8806 -224.881 GPRESSURE: 3017400 -122.579 40.1747 -45.0222 75.2553 222.047 -107.574 1.30582 -37.4038 -201.305 PRESSAVG: 3017400 24.5369 -26.6201 -15.9337 -26.6201 -40.3327 -15.7537 -15.9337 -15.7537 14.8044 GPRESSAVG: 3017400 25.2844 -25.7286 -13.9749 -25.4746 -41.0776 -15.3597 -16.8187 -16.2947 15.334 TIMING: 3017400 CPU: 9535.89, 0.00311487/step Wall: 9535.89, 0.00311487/step, 1.71543 hours remaining, 237.699219 MB of memory in use. ENERGY: 3017400 3952.5062 20664.4738 14372.8373 266.5195 -203164.0314 2235.3242 0.0000 0.0000 51803.4216 -109868.9487 297.7150 -161672.3703 -109509.9451 298.7542 -71.8883 -33.9458 760219.7202 -0.3304 -0.1530 PRESSURE: 3017600 -52.7181 -75.5019 -12.477 -75.5018 -47.3925 133.17 -12.4772 133.171 3.03976 GPRESSURE: 3017600 -33.5681 -127.176 3.44477 -203.475 -4.62635 150.168 -18.2657 97.2584 18.3148 PRESSAVG: 3017600 40.8359 -2.19245 22.4778 -2.19241 -36.7049 28.8918 22.4777 28.8918 -6.2068 GPRESSAVG: 3017600 40.2029 -0.651326 21.317 -4.12758 -36.5414 29.2706 22.3962 31.8209 -6.38926 TIMING: 3017600 CPU: 9536.51, 0.00312043/step Wall: 9536.51, 0.00312043/step, 1.71832 hours remaining, 237.699219 MB of memory in use. ENERGY: 3017600 4059.5609 20689.3731 14385.9380 243.6294 -203613.9613 2568.8884 0.0000 0.0000 51933.2580 -109733.3135 298.4611 -161666.5715 -109373.8692 298.7504 -32.3569 -6.6265 760416.4487 -0.6919 -0.9093 PRESSURE: 3017800 -130.797 6.97653 23.7671 6.97614 -106.187 -73.2924 23.7672 -73.2918 26.9076 GPRESSURE: 3017800 -169.061 8.42831 45.665 -44.9897 -105.407 -80.8488 138.937 1.13211 129.075 PRESSAVG: 3017800 1.04875 -12.7321 -10.4376 -12.7321 -10.7319 16.5997 -10.4376 16.5996 -7.94968 GPRESSAVG: 3017800 1.85345 -11.8754 -12.0229 -13.0742 -12.0173 16.7188 -9.18032 14.8822 -7.92117 TIMING: 3017800 CPU: 9537.14, 0.00313006/step Wall: 9537.14, 0.00313006/step, 1.72344 hours remaining, 237.699219 MB of memory in use. ENERGY: 3017800 4014.7071 20559.5963 14394.2522 236.4966 -203302.3520 2450.0536 0.0000 0.0000 51801.2347 -109846.0115 297.7024 -161647.2462 -109474.8372 298.5075 -70.0253 -48.4643 761148.7958 -5.8776 -6.0283 PRESSURE: 3018000 137.925 -171.849 -3.31603 -171.849 23.3119 249.981 -3.31551 249.981 -221.99 GPRESSURE: 3018000 185.152 -172.217 -42.5064 -49.297 50.6689 168.515 73.7744 281.755 -216.794 PRESSAVG: 3018000 -12.3442 4.73334 -18.3524 4.73338 20.6126 -3.77196 -18.3524 -3.77188 10.1619 GPRESSAVG: 3018000 -12.5797 3.97804 -17.2593 4.42605 22.0735 -5.29699 -18.6336 -2.50146 9.62071 TIMING: 3018000 CPU: 9537.77, 0.00313508/step Wall: 9537.77, 0.00313508/step, 1.72604 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3018000 3992.6986 20533.3346 14357.4669 248.4987 -203477.7777 2503.5139 0.0000 0.0000 52049.3184 -109792.9465 299.1281 -161842.2649 -109420.0610 298.4391 -20.2511 6.3425 759147.7880 6.1434 6.3715 PRESSURE: 3018200 -274.779 -56.7824 134.344 -56.7824 36.3028 -53.1597 134.343 -53.1608 222.594 GPRESSURE: 3018200 -234.277 120.854 16.1793 57.8981 29.2853 -87.6615 134.681 115.723 250.481 PRESSAVG: 3018200 -19.2179 -17.2532 -54.1734 -17.2531 11.519 -11.1671 -54.1734 -11.1671 14.2578 GPRESSAVG: 3018200 -19.5596 -16.4961 -53.1614 -14.3893 11.4336 -8.74006 -55.4061 -12.6993 14.1868 TIMING: 3018200 CPU: 9538.4, 0.00316368/step Wall: 9538.4, 0.00316368/step, 1.74161 hours remaining, 237.699219 MB of memory in use. ENERGY: 3018200 3977.3815 20533.4947 14432.0166 237.3588 -203703.7014 2710.9850 0.0000 0.0000 52066.3756 -109746.0892 299.2262 -161812.4647 -109374.1441 298.6734 -5.2939 15.1629 761773.9125 2.1863 2.0203 PRESSURE: 3018400 -162.168 -91.9814 -189.769 -91.9818 -140.694 -113.988 -189.769 -113.988 283.326 GPRESSURE: 3018400 -49.9725 -119.142 -186.49 -191.018 -110.536 -89.4796 -226.035 -45.0219 243.163 PRESSAVG: 3018400 8.21713 41.4005 49.2659 41.4005 -32.684 -16.6013 49.2659 -16.6013 -24.8776 GPRESSAVG: 3018400 8.40953 41.1952 48.4393 38.0305 -33.697 -17.7228 49.1328 -15.1754 -24.3097 TIMING: 3018400 CPU: 9539.03, 0.00314028/step Wall: 9539.03, 0.00314028/step, 1.72855 hours remaining, 237.699219 MB of memory in use. ENERGY: 3018400 3929.3253 20593.5672 14446.8604 247.5453 -203769.3434 2721.8778 0.0000 0.0000 52172.8696 -109657.2978 299.8382 -161830.1674 -109291.5409 298.8945 -6.5119 27.5515 761567.6219 -16.4481 -16.5324 PRESSURE: 3018600 -207.443 -11.5681 227.705 -11.5683 -524.698 143.757 227.705 143.757 -156.076 GPRESSURE: 3018600 -243.518 -36.1187 272.3 -32.6526 -507.696 24.1211 157.675 155.084 -53.5184 PRESSAVG: 3018600 -11.583 2.9735 51.399 2.97342 -22.9933 10.1527 51.399 10.1528 3.69128 GPRESSAVG: 3018600 -12.5169 0.826093 50.901 3.85129 -21.8831 8.77438 51.8867 10.9761 3.98428 TIMING: 3018600 CPU: 9539.66, 0.00314686/step Wall: 9539.66, 0.00314686/step, 1.73199 hours remaining, 237.699219 MB of memory in use. ENERGY: 3018600 4075.5249 20544.9265 14473.1177 247.5727 -203388.1629 2453.4406 0.0000 0.0000 51981.0940 -109612.4865 298.7361 -161593.5805 -109255.1516 299.2553 -296.0723 -268.2440 762604.5637 -10.2950 -10.1385 PRESSURE: 3018800 -529.04 223.885 32.628 223.884 -22.9525 -67.7213 32.6284 -67.7215 151.784 GPRESSURE: 3018800 -435.019 196.368 -14.1433 338.698 -97.6263 -59.3537 -76.8106 -80.2346 217.659 PRESSAVG: 3018800 -18.7528 10.7329 41.6073 10.7329 3.87477 22.5741 41.6073 22.574 -2.66282 GPRESSAVG: 3018800 -17.6964 13.1133 42.8322 12.1509 2.45921 23.5705 41.5178 20.4546 -2.21569 TIMING: 3018800 CPU: 9540.28, 0.00313332/step Wall: 9540.28, 0.00313332/step, 1.72437 hours remaining, 237.699219 MB of memory in use. ENERGY: 3018800 3996.8743 20537.2578 14514.1143 238.4824 -203247.4128 2317.0957 0.0000 0.0000 52150.0799 -109493.5085 299.7072 -161643.5884 -109126.7602 299.1061 -133.4028 -104.9954 762232.6869 -5.8469 -5.8176 PRESSURE: 3019000 -104.749 56.4219 77.7752 56.4211 -107.511 -178.666 77.7749 -178.666 230.576 GPRESSURE: 3019000 50.6104 94.3676 109.005 104.833 -148.109 -52.7937 45.9248 -203.327 184.909 PRESSAVG: 3019000 17.662 21.1319 18.4459 21.1319 6.32311 -58.8253 18.4459 -58.8253 15.1362 GPRESSAVG: 3019000 16.7442 21.0426 18.1655 18.1292 7.50173 -58.7881 17.1933 -58.8252 14.4877 TIMING: 3019000 CPU: 9540.91, 0.00312478/step Wall: 9540.91, 0.00312478/step, 1.7195 hours remaining, 237.699219 MB of memory in use. ENERGY: 3019000 4004.5008 20558.8188 14491.1028 266.0718 -203290.5302 2541.3126 0.0000 0.0000 52056.9282 -109371.7952 299.1719 -161428.7234 -109010.0468 299.4488 6.1052 29.1370 761776.1968 13.0404 12.9112 PRESSURE: 3019200 -103.702 -68.1628 -146.656 -68.1622 -229.575 106.243 -146.656 106.243 -342.003 GPRESSURE: 3019200 0.218225 21.2575 -105.2 -29.26 -245.39 113.961 -180.6 64.4062 -345.207 PRESSAVG: 3019200 43.5915 13.4362 2.73316 13.4362 -11.9031 -23.0769 2.73322 -23.0769 13.139 GPRESSAVG: 3019200 43.8579 13.515 0.204696 13.2011 -12.641 -23.2956 6.65849 -20.9894 13.5816 TIMING: 3019200 CPU: 9541.53, 0.00312593/step Wall: 9541.53, 0.00312593/step, 1.71996 hours remaining, 237.699219 MB of memory in use. ENERGY: 3019200 4014.9993 20619.9304 14529.7956 260.8846 -202887.8855 2145.5726 0.0000 0.0000 52098.0114 -109218.6916 299.4080 -161316.7031 -108860.9920 300.0205 -225.0932 -196.7928 761481.3912 14.9425 14.9328 PRESSURE: 3019400 -152.132 -4.56314 -143.936 -4.56349 116.501 -32.4091 -143.935 -32.4097 -115.873 GPRESSURE: 3019400 -127.598 -35.3108 -125.001 10.8553 205.142 -64.9267 -159.853 -82.8564 -119.878 PRESSAVG: 3019400 -1.093 -56.8059 2.63789 -56.8059 -7.34438 -1.25475 2.63788 -1.25467 -11.4567 GPRESSAVG: 3019400 -0.952541 -55.9163 3.71816 -58.3558 -7.52798 -0.133254 1.56006 -1.76757 -11.7678 TIMING: 3019400 CPU: 9542.16, 0.00313733/step Wall: 9542.16, 0.00313733/step, 1.72606 hours remaining, 237.699219 MB of memory in use. ENERGY: 3019400 4062.2773 20598.4603 14457.6857 234.3464 -202982.0227 2318.3686 0.0000 0.0000 52244.5948 -109066.2895 300.2504 -161310.8843 -108713.3077 300.3104 -50.5011 -14.1112 759946.3634 -6.6314 -6.7494 PRESSURE: 3019600 -142.062 33.3708 -327.83 33.371 -126.928 25.3199 -327.83 25.3209 54.4258 GPRESSURE: 3019600 -85.1945 54.2872 -306.648 80.0887 -142.069 7.82347 -182.079 11.3725 85.4873 PRESSAVG: 3019600 -7.32084 -32.7682 -12.2435 -32.7682 -21.2857 11.1579 -12.2434 11.1579 -15.3408 GPRESSAVG: 3019600 -7.92028 -34.1343 -12.2257 -29.2641 -21.116 11.7718 -12.5639 11.7601 -15.4653 TIMING: 3019600 CPU: 9542.79, 0.00312724/step Wall: 9542.79, 0.00312724/step, 1.72033 hours remaining, 237.699219 MB of memory in use. ENERGY: 3019600 3902.2941 20644.5074 14462.0571 264.2882 -203064.7325 2547.8879 0.0000 0.0000 52376.7475 -108866.9503 301.0099 -161243.6977 -108500.6899 300.5192 -71.5212 -47.2586 762164.1241 -14.6491 -14.8339 PRESSURE: 3019800 -474.273 -141.968 61.7913 -141.968 -68.5009 -206.796 61.7918 -206.795 123.663 GPRESSURE: 3019800 -422.739 -171.089 66.7431 -85.1699 41.036 -136.943 60.7852 -173.235 43.3526 PRESSAVG: 3019800 -70.7066 -18.7687 -19.9522 -18.7687 18.3805 -29.4982 -19.9521 -29.4982 -10.8033 GPRESSAVG: 3019800 -69.8397 -19.6097 -18.8368 -19.2974 18.301 -29.5921 -19.4006 -31.552 -11.9353 TIMING: 3019800 CPU: 9543.41, 0.00312889/step Wall: 9543.41, 0.00312889/step, 1.72107 hours remaining, 237.699219 MB of memory in use. ENERGY: 3019800 3972.7868 20467.4074 14388.0566 244.3613 -202627.8180 2314.8734 0.0000 0.0000 52120.8384 -109119.4940 299.5392 -161240.3325 -108751.2024 300.6599 -139.7036 -112.7833 763552.4662 -21.0432 -21.1580 PRESSURE: 3020000 -128.164 115.464 -139.127 115.464 -26.1837 157.074 -139.126 157.074 153.91 GPRESSURE: 3020000 -123.025 169.798 -214.095 53.6589 75.8649 158.602 -74.7862 263.872 118.462 PRESSAVG: 3020000 -0.220011 -14.5849 13.4924 -14.5849 -25.9261 6.71729 13.4924 6.71728 -7.47441 GPRESSAVG: 3020000 -0.00983268 -13.2806 10.944 -14.8964 -26.2088 6.77506 15.2697 8.24309 -7.81291 TIMING: 3020000 CPU: 9544.04, 0.00312977/step Wall: 9544.04, 0.00312977/step, 1.72137 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3020000 4067.4455 20613.0948 14389.7214 255.7049 -203000.9083 2468.9480 0.0000 0.0000 52104.0450 -109101.9486 299.4427 -161205.9936 -108750.3626 300.0864 -0.1459 23.7674 762987.4185 -11.2068 -11.3439 PRESSURE: 3020200 -187.429 68.2904 230.091 68.2905 -121.97 -392.703 230.09 -392.703 -140.332 GPRESSURE: 3020200 -54.5957 60.3393 199.371 -38.3343 -183.493 -378.406 290.481 -346.054 -114.314 PRESSAVG: 3020200 -15.4194 5.94085 -11.7651 5.94087 29.0252 -53.2622 -11.7651 -53.2622 -11.4775 GPRESSAVG: 3020200 -14.7162 7.04983 -11.0735 4.17844 28.5294 -55.2123 -13.2897 -53.9709 -11.3934 TIMING: 3020200 CPU: 9544.67, 0.0031397/step Wall: 9544.67, 0.0031397/step, 1.72666 hours remaining, 237.699219 MB of memory in use. ENERGY: 3020200 3987.6602 20528.1098 14414.0892 263.5671 -202883.8480 2246.9079 0.0000 0.0000 52374.3611 -109069.1527 300.9962 -161443.5138 -108704.7387 300.8356 -149.9104 -117.4679 760703.4829 0.7094 0.8066 LDB: ============= START OF LOAD BALANCING ============== 9557.07 LDB: ============== END OF LOAD BALANCING =============== 9557.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9557.07 LDB: ============= START OF LOAD BALANCING ============== 9557.39 LDB: Largest compute 7031 load 0.032582 is 16.6% of average load 0.196025 LDB: Average compute 0.004388 is 2.2% of average load 0.196025 LDB: TIME 9557.39 LOAD: AVG 0.196025 MAX 0.215012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 9557.39 LOAD: AVG 0.196025 MAX 0.215012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 9557.39 LOAD: AVG 0.196025 MAX 0.215012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9557.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9557.4 PRESSURE: 3020400 204.784 -24.8502 15.8076 -24.8505 73.2063 -162.323 15.8066 -162.323 6.52358 GPRESSURE: 3020400 226.675 -85.0411 -46.1892 -13.7172 79.2013 -54.6217 102.859 -356.666 64.9922 PRESSAVG: 3020400 16.0307 -22.4637 23.7086 -22.4637 -4.977 -52.9781 23.7085 -52.978 -0.998324 GPRESSAVG: 3020400 15.1907 -25.7089 24.0046 -19.659 -4.4848 -52.7399 24.4048 -52.4622 -0.628732 TIMING: 3020400 CPU: 9545.31, 0.00323383/step Wall: 9545.31, 0.00323383/step, 1.77825 hours remaining, 237.640625 MB of memory in use. ENERGY: 3020400 3856.6599 20513.1608 14455.0092 254.5111 -203009.2995 2423.7724 0.0000 0.0000 52420.2133 -109085.9730 301.2597 -161506.1862 -108707.4561 300.6148 94.8381 123.6229 761636.5585 3.3518 3.3591 PRESSURE: 3020600 61.3717 -58.5026 -65.2963 -58.5029 30.0995 -46.1997 -65.2969 -46.2 -231.671 GPRESSURE: 3020600 94.096 -104.217 -38.2435 -34.7688 87.5328 -72.1008 -17.9894 -96.6393 -190.459 PRESSAVG: 3020600 6.51255 -7.40198 18.0411 -7.40201 -5.87276 34.0459 18.0411 34.0458 21.5022 GPRESSAVG: 3020600 6.18194 -7.27964 18.5092 -8.96399 -5.11639 34.2935 17.4295 34.9679 21.0956 TIMING: 3020600 CPU: 9545.94, 0.00313078/step Wall: 9545.94, 0.00313078/step, 1.72141 hours remaining, 237.640625 MB of memory in use. ENERGY: 3020600 3996.9692 20538.3422 14435.8768 251.6501 -203028.3837 2517.0035 0.0000 0.0000 52217.7036 -109070.8383 300.0959 -161288.5420 -108707.8514 300.1197 -46.7333 -2.9435 761592.1528 7.3807 7.3871 PRESSURE: 3020800 275.028 85.2498 36.0279 85.2506 192.778 -108.624 36.0279 -108.623 409.263 GPRESSURE: 3020800 280.283 92.8221 84.9498 13.5729 308.68 -108.835 14.8348 -62.1082 378.608 PRESSAVG: 3020800 -89.7808 -11.0945 22.3582 -11.0945 83.3892 71.7586 22.3582 71.7587 17.4715 GPRESSAVG: 3020800 -89.61 -12.1641 24.3945 -9.10811 83.6571 70.8682 20.1071 72.7325 16.9969 TIMING: 3020800 CPU: 9546.57, 0.00313445/step Wall: 9546.57, 0.00313445/step, 1.72325 hours remaining, 237.640625 MB of memory in use. ENERGY: 3020800 4012.3643 20549.8123 14357.2998 241.7045 -202909.0896 2422.8216 0.0000 0.0000 52159.1901 -109165.8971 299.7596 -161325.0872 -108804.8751 300.1956 292.3562 322.5234 760410.2396 3.6933 3.6814 PRESSURE: 3021000 -321.804 -117.121 31.9716 -117.121 6.75042 283.786 31.9708 283.785 293.119 GPRESSURE: 3021000 -281.509 -89.5114 -14.8538 -91.8737 19.5536 196.416 93.2119 285.417 332.879 PRESSAVG: 3021000 -72.5304 -43.1821 59.7576 -43.1821 29.1809 35.3504 59.7577 35.3504 -3.76517 GPRESSAVG: 3021000 -73.0115 -40.2426 56.6477 -44.1839 27.7702 37.6411 62.3791 34.6505 -2.32099 TIMING: 3021000 CPU: 9547.19, 0.00312795/step Wall: 9547.19, 0.00312795/step, 1.7195 hours remaining, 237.640625 MB of memory in use. ENERGY: 3021000 4011.8887 20585.3660 14481.5560 243.2949 -202979.6214 2272.3607 0.0000 0.0000 52182.9464 -109202.2086 299.8961 -161385.1550 -108838.1057 300.0517 -7.3115 23.6410 760509.4724 -15.7049 -15.8541 PRESSURE: 3021200 474.322 188.808 -220.391 188.808 20.4754 66.0143 -220.39 66.0137 -227.493 GPRESSURE: 3021200 382.16 84.342 -225.781 44.5043 126.444 53.5518 -158.734 -91.2029 -163.094 PRESSAVG: 3021200 -11.7037 -14.9463 -47.4843 -14.9463 38.7443 35.8397 -47.4843 35.8397 -7.94075 GPRESSAVG: 3021200 -10.9369 -15.8025 -47.9945 -15.1612 39.5403 34.0432 -47.8804 35.4529 -9.22249 TIMING: 3021200 CPU: 9547.82, 0.00313932/step Wall: 9547.82, 0.00313932/step, 1.72558 hours remaining, 237.640625 MB of memory in use. ENERGY: 3021200 4010.1060 20716.8242 14438.4605 242.4742 -203141.6226 2462.8676 0.0000 0.0000 52091.4544 -109179.4357 299.3703 -161270.8901 -108821.1776 300.1530 89.1015 115.1700 759620.8925 6.3666 6.4603 PRESSURE: 3021400 -328.904 -113.203 16.124 -113.202 155.106 -116.533 16.1243 -116.533 -110.498 GPRESSURE: 3021400 -173.139 -94.3275 -77.8307 -133.889 49.8318 -100.647 -18.4879 -96.1302 -73.6968 PRESSAVG: 3021400 -19.9043 -50.2568 -73.4069 -50.2568 53.3269 2.26504 -73.4069 2.26509 47.0188 GPRESSAVG: 3021400 -20.4854 -49.6781 -72.2611 -51.3922 52.9068 3.16204 -74.2239 2.03478 48.0787 TIMING: 3021400 CPU: 9548.45, 0.00314859/step Wall: 9548.45, 0.00314859/step, 1.7305 hours remaining, 237.640625 MB of memory in use. ENERGY: 3021400 4016.5441 20607.3778 14520.2144 243.6034 -202887.1347 2366.4299 0.0000 0.0000 52126.7747 -109006.1905 299.5733 -161132.9652 -108646.3088 299.9445 -94.7656 -65.6681 761079.7440 26.8138 26.8334 PRESSURE: 3021600 -75.2156 -88.9411 321.317 -88.941 62.5726 -90.3438 321.318 -90.343 -165.468 GPRESSURE: 3021600 -81.2262 -35.9062 291.409 -142.288 97.4178 -80.8285 313.782 25.3024 -136.725 PRESSAVG: 3021600 -60.8082 -53.3748 -72.1808 -53.3748 22.4002 -31.2847 -72.1808 -31.2847 4.87524 GPRESSAVG: 3021600 -60.4571 -53.9142 -72.353 -53.0609 22.7138 -30.9279 -71.0121 -32.0242 4.68884 TIMING: 3021600 CPU: 9549.08, 0.00313359/step Wall: 9549.08, 0.00313359/step, 1.72208 hours remaining, 237.640625 MB of memory in use. ENERGY: 3021600 3925.9947 20635.0401 14446.6248 267.0387 -202432.2634 2012.3366 0.0000 0.0000 52315.5742 -108829.6543 300.6583 -161145.2285 -108456.7105 300.6132 -59.3703 -40.1777 760870.8972 -11.1776 -11.0181 PRESSURE: 3021800 -66.9376 -99.2296 98.6067 -99.2296 159.97 -73.3643 98.6058 -73.3646 -112.545 GPRESSURE: 3021800 -72.8709 -53.4445 -11.8649 -183.687 220.074 -112.025 -1.06504 161.233 -76.6716 PRESSAVG: 3021800 4.43471 -36.4553 17.1589 -36.4553 7.64663 -16.1641 17.1589 -16.164 19.9348 GPRESSAVG: 3021800 4.13815 -35.6697 17.4672 -34.7203 7.49371 -18.7061 14.4267 -13.5439 20.221 TIMING: 3021800 CPU: 9549.71, 0.00314454/step Wall: 9549.71, 0.00314454/step, 1.72792 hours remaining, 237.640625 MB of memory in use. ENERGY: 3021800 4066.1067 20622.3384 14393.5104 263.7907 -203313.6241 2735.8738 0.0000 0.0000 52434.4983 -108797.5058 301.3418 -161232.0041 -108433.6333 300.9791 -6.5043 23.5104 760206.1903 10.6720 10.6176 PRESSURE: 3022000 -89.8239 -51.6464 88.868 -51.6473 150.467 -382.699 88.8678 -382.7 -23.8961 GPRESSURE: 3022000 -31.5529 -57.0092 18.4653 -5.8525 143.449 -321.345 46.6131 -261.283 22.4206 PRESSAVG: 3022000 30.6883 -7.88309 -14.9368 -7.88312 29.0043 40.3616 -14.9369 40.3616 10.6299 GPRESSAVG: 3022000 31.6625 -9.63153 -14.6212 -8.28635 29.0644 41.0979 -12.6204 39.1743 9.76922 TIMING: 3022000 CPU: 9550.33, 0.00314101/step Wall: 9550.33, 0.00314101/step, 1.72581 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3022000 4012.2753 20554.1620 14468.7688 236.2579 -203281.3002 2544.0053 0.0000 0.0000 52629.8031 -108836.0278 302.4642 -161465.8308 -108471.0303 300.6807 12.2489 44.7721 760102.7594 23.4408 23.4987 PRESSURE: 3022200 -11.2372 -38.5863 77.2271 -38.587 248.681 -104.783 77.2274 -104.783 30.516 GPRESSURE: 3022200 73.9807 -122.977 29.8706 14.4011 192.493 -171.176 82.571 50.2107 75.6055 PRESSAVG: 3022200 -12.7785 -26.3063 -30.3904 -26.3064 -7.74092 32.421 -30.3905 32.4211 16.3421 GPRESSAVG: 3022200 -13.8707 -24.4397 -30.1904 -28.1996 -7.93693 32.4229 -30.6598 34.5443 17.2436 TIMING: 3022200 CPU: 9550.96, 0.00314125/step Wall: 9550.96, 0.00314125/step, 1.72577 hours remaining, 237.640625 MB of memory in use. ENERGY: 3022200 3940.1449 20773.7801 14387.9471 254.6099 -202746.4933 2308.6209 0.0000 0.0000 52147.3214 -108934.0690 299.6914 -161081.3904 -108566.6184 300.5987 89.3201 114.0264 759621.4697 -1.3925 -1.5213 PRESSURE: 3022400 -33.9017 -138.551 17.3376 -138.552 44.825 -67.6478 17.3382 -67.6472 -177.677 GPRESSURE: 3022400 35.3597 -183.984 2.50761 -151.04 42.0466 -15.4466 144.721 -171.727 -167.83 PRESSAVG: 3022400 -67.7934 -58.4492 10.7363 -58.4492 41.6415 16.9729 10.7362 16.973 -10.9755 GPRESSAVG: 3022400 -68.6009 -58.3465 9.69109 -57.8941 41.3651 17.0406 9.96666 16.6652 -10.1976 TIMING: 3022400 CPU: 9551.59, 0.00313856/step Wall: 9551.59, 0.00313856/step, 1.72411 hours remaining, 237.640625 MB of memory in use. ENERGY: 3022400 4016.4546 20630.3122 14370.6564 236.6204 -203081.0634 2631.5648 0.0000 0.0000 52471.7482 -108723.7069 301.5559 -161195.4551 -108356.0966 300.5750 -55.5846 -30.1412 761497.4996 -12.3758 -12.4778 PRESSURE: 3022600 -461.29 -48.4077 -311.391 -48.4069 142.748 40.2408 -311.392 40.2405 -160.195 GPRESSURE: 3022600 -345.534 -46.4228 -372.152 -90.1283 64.6871 -23.28 -286.532 78.8754 -102.322 PRESSAVG: 3022600 -5.37734 -61.5776 -61.2142 -61.5775 38.8061 2.62086 -61.2142 2.62085 -4.0326 GPRESSAVG: 3022600 -4.61731 -63.3333 -59.5958 -60.6977 38.0058 1.63819 -62.2557 0.0967352 -4.08481 TIMING: 3022600 CPU: 9552.22, 0.00313884/step Wall: 9552.22, 0.00313884/step, 1.72409 hours remaining, 237.640625 MB of memory in use. ENERGY: 3022600 4037.6315 20690.1389 14420.6810 260.2053 -202620.7425 2227.1596 0.0000 0.0000 52127.3674 -108857.5587 299.5767 -160984.9261 -108501.3342 300.8986 -159.5791 -127.7230 761159.1241 9.7987 9.7679 PRESSURE: 3022800 -108.154 -43.7015 -152.047 -43.7015 177.096 44.2156 -152.047 44.2156 -401.02 GPRESSURE: 3022800 20.93 -76.4224 -147.926 15.8314 42.5031 -42.1661 -0.190849 41.9003 -315.719 PRESSAVG: 3022800 -22.6502 52.1778 -25.9317 52.1778 56.9201 -18.3461 -25.9316 -18.3462 -9.16266 GPRESSAVG: 3022800 -20.3712 51.4167 -26.5686 52.3332 55.5408 -17.7966 -24.8635 -16.2362 -8.96835 TIMING: 3022800 CPU: 9552.84, 0.00312584/step Wall: 9552.84, 0.00312584/step, 1.71678 hours remaining, 237.640625 MB of memory in use. ENERGY: 3022800 4013.4862 20679.5980 14315.0008 262.6638 -203048.2437 2565.6405 0.0000 0.0000 52176.3985 -109035.4558 299.8585 -161211.8543 -108668.7898 300.3186 -110.6925 -84.0954 762862.6027 8.3691 8.7338 PRESSURE: 3023000 -567.741 19.2652 -90.6242 19.2655 -63.3043 296.139 -90.6242 296.139 -123.292 GPRESSURE: 3023000 -494.408 26.7539 -128.51 95.6577 -97.0152 300.053 -51.5901 349.258 -95.69 PRESSAVG: 3023000 -15.6095 -15.5515 -29.1044 -15.5515 8.51869 1.50014 -29.1045 1.50007 -3.12521 GPRESSAVG: 3023000 -17.8694 -11.9435 -28.8453 -15.8455 10.6674 3.54996 -28.164 -0.00251647 -3.75957 TIMING: 3023000 CPU: 9553.47, 0.0031215/step Wall: 9553.47, 0.0031215/step, 1.71422 hours remaining, 237.640625 MB of memory in use. ENERGY: 3023000 4029.8581 20556.1420 14366.2144 241.2322 -202952.8198 2215.1869 0.0000 0.0000 52193.1682 -109351.0181 299.9549 -161544.1863 -108976.4248 300.1095 -251.4457 -229.0376 761212.0351 -3.4054 -3.6539 PRESSURE: 3023200 -299.967 -162.347 39.3261 -162.348 -243.036 43.9797 39.325 43.98 -133.23 GPRESSURE: 3023200 -188.607 -165.66 127.078 -276.563 -198.197 91.2077 -38.5477 114.95 -209.692 PRESSAVG: 3023200 -37.1081 -2.22597 27.0974 -2.22598 36.4317 1.23187 27.0974 1.23194 10.9338 GPRESSAVG: 3023200 -36.0069 -4.28842 25.7142 -2.81639 35.8782 0.337374 27.7905 2.90331 10.1786 TIMING: 3023200 CPU: 9554.1, 0.00315239/step Wall: 9554.1, 0.00315239/step, 1.73101 hours remaining, 237.640625 MB of memory in use. ENERGY: 3023200 4044.8096 20526.6880 14471.1073 239.5314 -203002.8337 2148.0156 0.0000 0.0000 52116.2684 -109456.4135 299.5129 -161572.6819 -109101.1338 299.4308 -225.4108 -198.8322 762483.1022 3.4191 3.3500 PRESSURE: 3023400 -21.864 40.4738 -177.037 40.4731 146.482 -76.7257 -177.036 -76.7243 19.2047 GPRESSURE: 3023400 -1.23023 48.486 -129.63 -23.8632 222.617 -45.1458 -204.179 -38.5665 19.4001 PRESSAVG: 3023400 -11.2972 11.3646 -16.8366 11.3646 28.6029 -18.1552 -16.8366 -18.1553 3.58038 GPRESSAVG: 3023400 -13.1048 12.4973 -15.684 13.6466 28.7455 -18.3559 -21.105 -16.8803 4.77299 TIMING: 3023400 CPU: 9554.73, 0.00313952/step Wall: 9554.73, 0.00313952/step, 1.72377 hours remaining, 237.640625 MB of memory in use. ENERGY: 3023400 4052.3722 20424.0005 14508.3889 254.8850 -203131.8044 2556.8645 0.0000 0.0000 52216.7636 -109118.5297 300.0905 -161335.2933 -108757.3832 299.7134 47.9410 80.2623 761470.4679 6.9620 6.8046 PRESSURE: 3023600 -75.7842 -24.1579 -144.409 -24.1573 72.8348 305.793 -144.408 305.794 -171.352 GPRESSURE: 3023600 14.5434 -46.3709 -88.7615 -47.891 77.3596 240.461 -90.1139 249.337 -188.157 PRESSAVG: 3023600 -20.6302 19.2664 -24.0675 19.2665 3.98327 11.9712 -24.0674 11.9712 18.37 GPRESSAVG: 3023600 -20.8186 16.8224 -24.7903 19.0184 4.54153 11.5937 -22.3656 9.20215 17.5927 TIMING: 3023600 CPU: 9555.35, 0.00313955/step Wall: 9555.35, 0.00313955/step, 1.72361 hours remaining, 237.640625 MB of memory in use. ENERGY: 3023600 3924.2322 20454.1523 14505.3058 249.4918 -203098.7322 2573.2280 0.0000 0.0000 52203.8813 -109188.4408 300.0164 -161392.3220 -108829.4534 299.8541 -58.1005 -32.0847 761529.0245 0.5744 0.4385 PRESSURE: 3023800 -296.717 86.4755 -113.529 86.4755 -117.972 15.6613 -113.528 15.6607 92.5968 GPRESSURE: 3023800 -266.871 116.934 -94.0442 5.90139 -82.8576 38.5353 50.4865 127.32 103.24 PRESSAVG: 3023800 -35.3843 15.6331 -31.0552 15.6331 65.9669 20.5502 -31.0553 20.5503 -7.19938 GPRESSAVG: 3023800 -35.1154 17.0605 -30.636 15.3311 65.6979 20.8217 -31.1496 22.1667 -6.8124 TIMING: 3023800 CPU: 9555.98, 0.00313909/step Wall: 9555.98, 0.00313909/step, 1.72319 hours remaining, 237.640625 MB of memory in use. ENERGY: 3023800 4088.2035 20442.3090 14421.1047 248.7960 -202629.7765 2020.7488 0.0000 0.0000 52429.1407 -108979.4737 301.3110 -161408.6144 -108625.9695 300.5835 -107.3640 -82.1631 760520.4908 7.7944 7.9234 PRESSURE: 3024000 -295.477 31.3468 48.0242 31.3466 -15.4429 120.235 48.0241 120.235 -286.04 GPRESSURE: 3024000 -176.746 199 6.50888 35.4029 23.7925 210.659 70.2633 44.4595 -332.939 PRESSAVG: 3024000 7.27123 21.2515 -4.40574 21.2515 -8.94653 34.0306 -4.40567 34.0306 7.94968 GPRESSAVG: 3024000 7.71417 23.1304 -4.23763 20.8526 -8.86075 34.2902 -3.53549 32.3783 7.36583 TIMING: 3024000 CPU: 9556.61, 0.0031243/step Wall: 9556.61, 0.0031243/step, 1.71489 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3024000 4020.5234 20623.8940 14401.9030 243.8661 -203009.7586 2502.0195 0.0000 0.0000 52119.5374 -109098.0153 299.5317 -161217.5527 -108735.2006 300.7448 -198.9868 -161.9642 760342.5255 2.0915 2.0731 PRESSURE: 3024200 21.6485 -109.062 -89.9061 -109.061 -70.1383 -40.7253 -89.9071 -40.7247 79.0456 GPRESSURE: 3024200 77.1511 -53.6263 -97.0922 -80.9025 -153.541 84.133 -54.7447 -41.1176 161.729 PRESSAVG: 3024200 38.2272 -3.67008 -69.1216 -3.67012 -60.4936 57.4445 -69.1216 57.4445 -28.5175 GPRESSAVG: 3024200 37.9316 -6.1601 -71.2863 -2.99059 -60.1305 58.2043 -67.4306 54.9227 -28.3081 TIMING: 3024200 CPU: 9557.23, 0.00312176/step Wall: 9557.23, 0.00312176/step, 1.71333 hours remaining, 237.640625 MB of memory in use. ENERGY: 3024200 4024.3657 20782.0930 14435.4116 251.6557 -203045.4229 2266.5811 0.0000 0.0000 52184.6911 -109100.6246 299.9061 -161285.3157 -108738.8699 300.2676 10.1853 28.4463 759624.5949 -16.9279 -16.8357 LDB: ============= START OF LOAD BALANCING ============== 9569.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9569.63 LDB: =============== DONE WITH MIGRATION ================ 9569.63 LDB: ============= START OF LOAD BALANCING ============== 9569.94 LDB: Largest compute 7031 load 0.033579 is 17.1% of average load 0.196016 LDB: Average compute 0.004399 is 2.2% of average load 0.196016 LDB: TIME 9569.94 LOAD: AVG 0.196016 MAX 0.213606 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 9569.94 LOAD: AVG 0.196016 MAX 0.213606 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: TIME 9569.94 LOAD: AVG 0.196016 MAX 0.213606 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: ============== END OF LOAD BALANCING =============== 9569.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9569.95 PRESSURE: 3024400 -55.3858 143.994 67.813 143.994 45.6497 231.118 67.813 231.118 68.6481 GPRESSURE: 3024400 -5.31933 93.2865 52.7117 142.658 138.986 196.69 185.69 173.625 19.7256 PRESSAVG: 3024400 -19.0878 30.8506 17.1111 30.8506 46.67 25.4745 17.1111 25.4746 -1.96278 GPRESSAVG: 3024400 -19.7877 30.4068 18.9357 28.7564 47.1734 24.4741 16.4681 27.6052 -2.02354 TIMING: 3024400 CPU: 9557.87, 0.00319252/step Wall: 9557.87, 0.00319252/step, 1.75199 hours remaining, 237.902344 MB of memory in use. ENERGY: 3024400 4006.6684 20613.4743 14412.7037 257.6358 -203530.7033 2717.8439 0.0000 0.0000 52432.0986 -109090.2786 301.3280 -161522.3772 -108729.8008 300.5755 19.6373 51.1308 759769.2774 8.5398 8.4540 PRESSURE: 3024600 44.4122 -92.7845 45.2599 -92.784 40.3333 6.68854 45.2602 6.68869 -536.63 GPRESSURE: 3024600 66.6484 70.3411 30.7561 -127.334 8.39951 10.4051 33.3483 13.4567 -436.598 PRESSAVG: 3024600 -60.5148 22.0575 -11.1332 22.0575 75.873 50.6859 -11.1332 50.6859 -14.3617 GPRESSAVG: 3024600 -60.7653 22.1231 -12.108 23.9034 76.0954 50.2231 -12.2346 52.6392 -14.2808 TIMING: 3024600 CPU: 9558.5, 0.00313711/step Wall: 9558.5, 0.00313711/step, 1.7214 hours remaining, 238.105469 MB of memory in use. ENERGY: 3024600 4080.1372 20663.0919 14486.0625 235.9553 -203264.4426 2335.0451 0.0000 0.0000 52459.2853 -109004.8653 301.4842 -161464.1506 -108638.4821 300.4974 -150.6280 -120.5167 761022.6635 0.3322 0.3498 PRESSURE: 3024800 -263.283 180.547 100.703 180.546 142.301 98.6979 100.704 98.698 -178.017 GPRESSURE: 3024800 -150.966 200.338 140.269 153.836 77.9046 42.9117 -15.6005 -103.868 -148.935 PRESSAVG: 3024800 -6.14038 81.3301 -35.7447 81.33 -31.7983 77.0222 -35.7447 77.0223 -1.21304 GPRESSAVG: 3024800 -5.72872 80.2695 -33.1311 81.6493 -32.5919 78.7103 -37.5021 75.1348 -1.02479 TIMING: 3024800 CPU: 9559.12, 0.00313182/step Wall: 9559.12, 0.00313182/step, 1.71832 hours remaining, 238.105469 MB of memory in use. ENERGY: 3024800 4047.0684 20561.1672 14471.4635 228.5989 -203091.3462 2482.5893 0.0000 0.0000 52342.7807 -108957.6781 300.8147 -161300.4588 -108591.0461 300.1459 -99.6663 -73.9988 761010.3575 -13.0506 -13.1151 PRESSURE: 3025000 10.8229 -56.7859 -124.154 -56.7863 206.99 76.2422 -124.154 76.2419 -257.13 GPRESSURE: 3025000 -2.07472 -46.7217 -125.218 -65.8663 269.591 114.605 -100.688 142.645 -238.66 PRESSAVG: 3025000 -31.0098 30.3527 40.2009 30.3527 9.69332 48.6725 40.201 48.6725 -4.62224 GPRESSAVG: 3025000 -31.5218 28.4139 38.3893 28.8063 9.93348 48.5954 40.344 48.7454 -3.94092 TIMING: 3025000 CPU: 9559.75, 0.00311832/step Wall: 9559.75, 0.00311833/step, 1.71075 hours remaining, 238.105469 MB of memory in use. ENERGY: 3025000 4034.8487 20824.0851 14375.1802 231.3301 -203275.8204 2532.6597 0.0000 0.0000 52246.5069 -109031.2096 300.2614 -161277.7166 -108678.1219 300.1197 -13.1056 9.6188 760772.0140 -8.6462 -8.5098 PRESSURE: 3025200 189.253 57.1361 -5.70807 57.1358 -164.111 179.86 -5.70754 179.858 -232.095 GPRESSURE: 3025200 287.723 150.268 51.9243 163.159 -199.04 136.004 -17.1126 110.924 -207.531 PRESSAVG: 3025200 -13.1656 -1.36013 34.26 -1.36019 56.6871 68.685 34.26 68.6851 21.992 GPRESSAVG: 3025200 -13.1464 -0.521631 35.618 -0.518605 56.6258 65.6207 35.2039 70.7706 21.4636 TIMING: 3025200 CPU: 9560.37, 0.00312672/step Wall: 9560.37, 0.00312672/step, 1.71518 hours remaining, 238.105469 MB of memory in use. ENERGY: 3025200 4043.8036 20458.6895 14481.2317 241.2761 -203053.1947 2301.1610 0.0000 0.0000 52444.7664 -109082.2662 301.4008 -161527.0326 -108718.5111 300.7254 -68.9843 -39.6161 759933.8589 21.8378 21.6476 PRESSURE: 3025400 136.115 -98.9859 55.8797 -98.9866 182.516 -66.6423 55.8804 -66.6427 270.561 GPRESSURE: 3025400 114.708 -183.459 35.2463 -36.7178 237.465 -107.634 65.9173 -54.0862 302.897 PRESSAVG: 3025400 -30.1906 24.4066 -4.82352 24.4066 30.3178 36.8252 -4.82341 36.8252 -9.89858 GPRESSAVG: 3025400 -30.9704 25.2383 -5.34705 24.9276 30.564 38.6743 -5.12221 34.2728 -9.73017 TIMING: 3025400 CPU: 9561, 0.00315506/step Wall: 9561, 0.00315506/step, 1.73055 hours remaining, 238.105469 MB of memory in use. ENERGY: 3025400 4050.0584 20586.3490 14424.9066 243.4625 -203120.6839 2431.3562 0.0000 0.0000 52140.2229 -109244.3284 299.6506 -161384.5512 -108881.4656 300.7878 196.3971 218.3565 760335.6448 -3.2571 -3.3789 PRESSURE: 3025600 -122.101 5.51967 29.5541 5.51948 -107.74 -85.8404 29.5541 -85.841 -309.204 GPRESSURE: 3025600 -62.1716 117.685 -14.2735 58.5838 -145.178 -58.9545 -71.9956 27.2745 -243.708 PRESSAVG: 3025600 24.943 -17.9368 -48.7271 -17.9368 -34.8644 9.14483 -48.7271 9.14482 4.81487 GPRESSAVG: 3025600 25.1135 -17.7906 -49.1595 -16.7517 -36.0006 7.13089 -47.8621 9.15297 5.31956 TIMING: 3025600 CPU: 9561.63, 0.00312743/step Wall: 9561.63, 0.00312743/step, 1.71522 hours remaining, 238.105469 MB of memory in use. ENERGY: 3025600 4016.3620 20793.2362 14406.3392 231.0928 -203609.4680 2703.7699 0.0000 0.0000 52431.1989 -109027.4690 301.3228 -161458.6679 -108661.4508 300.1726 -179.6818 -150.3524 760990.0190 -1.7022 -1.8558 PRESSURE: 3025800 -259.286 38.3484 -120.065 38.3488 247.948 -9.15015 -120.065 -9.14987 -261.082 GPRESSURE: 3025800 -315.528 43.9448 -164.128 65.6551 290.698 67.9202 -145.064 37.3417 -175.013 PRESSAVG: 3025800 -35.1521 41.2619 -2.93592 41.2619 42.0571 7.21317 -2.93596 7.21306 -16.9615 GPRESSAVG: 3025800 -35.2444 40.6856 -3.36663 40.7834 42.683 7.91981 -3.15339 8.30012 -17.8563 TIMING: 3025800 CPU: 9562.25, 0.00312343/step Wall: 9562.25, 0.00312343/step, 1.71285 hours remaining, 238.105469 MB of memory in use. ENERGY: 3025800 4001.2812 20939.5990 14421.2842 255.4734 -202888.0064 2218.5851 0.0000 0.0000 52141.5222 -108910.2613 299.6580 -161051.7835 -108564.9541 300.7438 -90.8067 -66.6144 759122.7300 -3.3522 -3.4726 PRESSURE: 3026000 30.8853 110.968 -109.463 110.968 303.064 43.0357 -109.463 43.0363 -39.4462 GPRESSURE: 3026000 84.3304 109.638 -157.149 154.624 346.178 90.2085 -37.1228 39.905 -44.2041 PRESSAVG: 3026000 -38.7262 -18.991 -50.8524 -18.991 3.80931 -2.88893 -50.8524 -2.88888 6.25888 GPRESSAVG: 3026000 -38.6099 -17.6778 -50.5073 -21.802 3.29915 -1.54798 -52.1393 -3.29695 6.91149 TIMING: 3026000 CPU: 9562.88, 0.00313424/step Wall: 9562.88, 0.00313423/step, 1.71861 hours remaining, 238.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3026000 3997.8629 20637.3935 14445.7660 244.6465 -203094.6949 2406.1701 0.0000 0.0000 52453.1118 -108909.7441 301.4488 -161362.8559 -108539.0323 301.0787 98.1677 128.7680 760316.1024 -9.5527 -9.4664 PRESSURE: 3026200 -12.1911 -135.194 -88.6502 -135.194 140.943 -76.4842 -88.6496 -76.4832 -159.685 GPRESSURE: 3026200 33.5474 -80.9658 -53.3439 -159.412 150.663 -69.9276 -67.8143 -7.95032 -142.5 PRESSAVG: 3026200 35.9004 -44.0231 -16.899 -44.0231 -44.6764 42.9778 -16.899 42.9777 6.91966 GPRESSAVG: 3026200 35.2176 -44.5199 -16.0156 -43.6577 -43.774 41.6979 -15.3267 43.5204 6.77671 TIMING: 3026200 CPU: 9563.51, 0.00315698/step Wall: 9563.51, 0.00315698/step, 1.7309 hours remaining, 238.105469 MB of memory in use. ENERGY: 3026200 3970.2025 20608.7860 14420.1364 229.2364 -202988.7711 2612.0075 0.0000 0.0000 52106.7983 -109041.6041 299.4585 -161148.4024 -108672.6135 300.8774 -10.3111 13.9034 762639.1610 -0.6188 -0.5932 PRESSURE: 3026400 47.0394 -174.495 296.298 -174.494 149.497 67.3289 296.299 67.3282 292.697 GPRESSURE: 3026400 23.2863 -151.61 359.797 -186.025 252.264 84.5369 234.194 59.8428 296.861 PRESSAVG: 3026400 19.6946 -1.51772 -25.3482 -1.51773 -36.4528 19.8953 -25.3482 19.8953 18.7096 GPRESSAVG: 3026400 20.5573 -3.62917 -25.0109 -0.617295 -35.3339 20.2735 -28.1288 19.3566 17.0621 TIMING: 3026400 CPU: 9564.14, 0.00315172/step Wall: 9564.14, 0.00315172/step, 1.72784 hours remaining, 238.105469 MB of memory in use. ENERGY: 3026400 3957.4719 20617.0666 14436.8477 236.8391 -203608.2460 2764.4869 0.0000 0.0000 52485.1498 -109110.3840 301.6329 -161595.5338 -108747.3860 300.5003 163.0779 190.8038 760361.3054 0.6505 0.7618 PRESSURE: 3026600 -92.1026 -84.6263 47.474 -84.6273 -18.7888 346.179 47.4739 346.179 -25.7158 GPRESSURE: 3026600 -111.939 -153.905 54.1301 -15.7618 101.384 427.387 -25.6212 147.674 -33.8255 PRESSAVG: 3026600 24.391 0.723225 5.79028 0.723301 7.84419 -10.7813 5.79027 -10.7812 -13.9009 GPRESSAVG: 3026600 23.5261 3.55904 5.78067 -0.0771915 6.84041 -9.51722 8.09972 -13.2044 -12.0268 TIMING: 3026600 CPU: 9564.77, 0.00315086/step Wall: 9564.77, 0.00315087/step, 1.7272 hours remaining, 238.105469 MB of memory in use. ENERGY: 3026600 3956.7465 20567.9143 14510.1203 246.9615 -203293.7498 2675.1769 0.0000 0.0000 52184.6468 -109152.1836 299.9059 -161336.8304 -108781.0460 300.9857 -45.5357 -14.7935 760292.6655 6.1114 6.1132 PRESSURE: 3026800 119.83 160.549 209.871 160.548 -493.83 118.02 209.87 118.022 -352.899 GPRESSURE: 3026800 71.098 129.706 275.313 160.822 -376.474 151.967 197.999 -36.714 -334.641 PRESSAVG: 3026800 5.09041 59.0052 29.8599 59.0053 -11.3222 -4.46521 29.8598 -4.46525 27.1543 GPRESSAVG: 3026800 5.97878 59.0664 28.5089 60.1807 -11.9541 -5.40353 31.6244 -4.41164 27.0736 TIMING: 3026800 CPU: 9565.4, 0.00314391/step Wall: 9565.4, 0.00314391/step, 1.72321 hours remaining, 238.105469 MB of memory in use. ENERGY: 3026800 4046.1535 20616.5968 14508.0929 231.0722 -203426.9928 2646.4466 0.0000 0.0000 52185.6212 -109193.0097 299.9115 -161378.6309 -108835.0152 300.5272 -242.2997 -213.3390 760935.9510 6.9742 7.0328 PRESSURE: 3027000 177.584 -82.5202 -10.9694 -82.5191 258.741 -140.645 -10.9685 -140.643 53.8017 GPRESSURE: 3027000 156.977 38.5045 -47.8364 -58.2904 290.762 -60.9783 33.5227 -141.788 133.481 PRESSAVG: 3027000 47.0304 52.4386 -28.0929 52.4386 -26.1721 55.733 -28.0929 55.733 -0.291688 GPRESSAVG: 3027000 47.2307 52.6376 -27.4431 50.3478 -26.1284 55.9852 -29.7116 60.3028 -0.705054 TIMING: 3027000 CPU: 9566.03, 0.00313925/step Wall: 9566.03, 0.00313925/step, 1.72048 hours remaining, 238.105469 MB of memory in use. ENERGY: 3027000 4014.1568 20475.7906 14530.8235 249.6181 -203561.3064 2780.6114 0.0000 0.0000 52290.7169 -109219.5889 300.5155 -161510.3059 -108859.4996 300.1349 163.3756 193.7398 760319.5842 6.8555 6.7991 PRESSURE: 3027200 140.348 -44.3188 6.21226 -44.3196 -27.3601 -38.8817 6.2124 -38.8792 48.0122 GPRESSURE: 3027200 123.421 -50.2404 -14.236 -184.72 19.7949 -77.3291 -33.8683 23.9793 76.691 PRESSAVG: 3027200 0.0528602 -24.0198 2.4183 -24.0198 22.8367 32.8859 2.41835 32.8859 5.27891 GPRESSAVG: 3027200 -1.28271 -22.5407 1.15333 -23.7735 24.1803 31.8681 3.38591 30.0249 5.04643 TIMING: 3027200 CPU: 9566.66, 0.00313712/step Wall: 9566.66, 0.00313712/step, 1.71914 hours remaining, 238.105469 MB of memory in use. ENERGY: 3027200 4018.4288 20552.4146 14404.5419 256.2298 -203248.8091 2684.8727 0.0000 0.0000 52237.8095 -109094.5118 300.2114 -161332.3213 -108732.4447 300.3925 53.6668 73.3023 761141.1609 9.3895 9.3147 PRESSURE: 3027400 40.8517 20.4021 69.6064 20.4019 179.346 -16.4401 69.6054 -16.441 -170.933 GPRESSURE: 3027400 104.447 -127.745 120.074 13.6266 161.366 32.8287 32.9482 -45.0215 -142.187 PRESSAVG: 3027400 -43.7929 -23.3 45.0233 -23.3 -15.3138 -26.2017 45.0233 -26.2017 2.75786 GPRESSAVG: 3027400 -42.6788 -24.8565 47.567 -22.6135 -16.1438 -24.6381 43.9523 -24.9547 2.54848 TIMING: 3027400 CPU: 9567.29, 0.00315801/step Wall: 9567.29, 0.00315801/step, 1.73041 hours remaining, 238.105469 MB of memory in use. ENERGY: 3027400 4020.9517 20599.7003 14372.0193 256.8762 -203241.5934 2580.1839 0.0000 0.0000 52199.4340 -109212.4280 299.9909 -161411.8620 -108861.2691 300.0441 16.4214 41.2085 763542.7192 -18.7829 -18.7580 PRESSURE: 3027600 -270.489 -166.152 -48.4632 -166.153 -241.004 190.469 -48.4628 190.469 -24.8621 GPRESSURE: 3027600 -259.998 -51.0215 17.8907 -51.4056 -122.953 165.399 -46.3103 213.771 -57.6869 PRESSAVG: 3027600 24.9245 -34.7047 32.6519 -34.7047 9.47178 48.4672 32.6519 48.4673 24.0755 GPRESSAVG: 3027600 24.4976 -35.4046 33.1934 -34.3282 11.007 48.1372 29.9272 48.3525 23.7177 TIMING: 3027600 CPU: 9567.91, 0.00313301/step Wall: 9567.91, 0.00313301/step, 1.71654 hours remaining, 238.105469 MB of memory in use. ENERGY: 3027600 4039.0095 20565.7788 14394.2656 242.8065 -202822.8472 2284.6448 0.0000 0.0000 51907.2444 -109389.0974 298.3116 -161296.3419 -109028.9996 299.9074 -178.7850 -146.8793 760717.3217 19.4906 19.7408 PRESSURE: 3027800 133.698 -21.6117 -28.6673 -21.6114 -77.7809 148.112 -28.6674 148.112 162.679 GPRESSURE: 3027800 219.206 0.24841 -45.2326 -137.186 -62.8826 120.495 -64.0997 122.189 148.496 PRESSAVG: 3027800 19.2488 -3.76606 47.0317 -3.76608 -9.95294 27.0797 47.0316 27.0797 7.27656 GPRESSAVG: 3027800 18.9414 -2.8762 45.6819 -3.48509 -10.4913 26.9418 49.7007 26.414 7.17504 TIMING: 3027800 CPU: 9568.54, 0.00313894/step Wall: 9568.54, 0.00313894/step, 1.71961 hours remaining, 238.105469 MB of memory in use. ENERGY: 3027800 3969.4284 20612.9253 14461.8782 256.0443 -202986.9427 2163.6855 0.0000 0.0000 52176.9255 -109346.0555 299.8615 -161522.9810 -108986.1092 299.5542 72.8655 101.6066 759838.9468 5.5241 5.2084 PRESSURE: 3028000 75.5953 7.95312 331.887 7.95267 52.0344 17.4889 331.888 17.4884 251.843 GPRESSURE: 3028000 177.609 -18.9363 338.306 68.6352 64.4504 -11.5619 386.395 67.7512 221.807 PRESSAVG: 3028000 17.4603 9.43819 28.7428 9.43816 26.7869 17.3519 28.7428 17.3518 18.4548 GPRESSAVG: 3028000 18.0752 9.17827 29.6612 9.25103 25.1724 16.4059 27.9319 18.2167 19.2298 TIMING: 3028000 CPU: 9569.17, 0.00314665/step Wall: 9569.17, 0.00314665/step, 1.72367 hours remaining, 238.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3028000 4008.3361 20452.8334 14477.3692 249.7865 -203152.0526 2544.2337 0.0000 0.0000 51989.6673 -109429.8263 298.7853 -161419.4937 -109053.3789 299.3509 126.4908 154.6219 759897.2395 20.9007 20.8258 PRESSURE: 3028200 86.1564 9.95201 -59.9345 9.95218 96.5354 40.0494 -59.9338 40.0483 230.333 GPRESSURE: 3028200 152.133 -31.2547 -46.3779 12.8511 137.388 56.7608 3.34519 47.11 221.037 PRESSAVG: 3028200 21.8783 -12.5217 29.2269 -12.5216 29.2438 19.8116 29.2269 19.8116 10.2761 GPRESSAVG: 3028200 20.7927 -12.6396 28.3164 -11.9173 29.926 20.8263 30.5373 21.3715 11.2529 TIMING: 3028200 CPU: 9569.8, 0.00315446/step Wall: 9569.8, 0.00315446/step, 1.72777 hours remaining, 238.105469 MB of memory in use. ENERGY: 3028200 3998.8097 20570.3715 14400.7953 247.0555 -203181.3686 2399.0003 0.0000 0.0000 52134.0248 -109431.3115 299.6150 -161565.3362 -109077.4287 299.1158 137.6750 170.1862 758939.9840 20.4661 20.6572 LDB: ============= START OF LOAD BALANCING ============== 9582.2 LDB: ============== END OF LOAD BALANCING =============== 9582.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9582.2 LDB: ============= START OF LOAD BALANCING ============== 9582.52 LDB: Largest compute 7031 load 0.033399 is 17.0% of average load 0.196075 LDB: Average compute 0.004394 is 2.2% of average load 0.196075 LDB: TIME 9582.52 LOAD: AVG 0.196075 MAX 0.214671 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9582.52 LOAD: AVG 0.196075 MAX 0.214671 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 9582.52 LOAD: AVG 0.196075 MAX 0.214671 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 9582.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9582.53 PRESSURE: 3028400 235.989 129.183 -44.8868 129.183 -35.0983 134.761 -44.8871 134.762 203.828 GPRESSURE: 3028400 293.879 188.706 -35.7643 122.406 2.8094 145.474 -43.61 79.8115 180.581 PRESSAVG: 3028400 -0.574691 -29.7777 22.9181 -29.7777 -15.3797 46.1367 22.9181 46.1367 19.7353 GPRESSAVG: 3028400 -0.101405 -31.5653 22.8508 -29.7186 -15.6833 45.0044 23.1822 43.8983 18.9304 TIMING: 3028400 CPU: 9570.45, 0.00322757/step Wall: 9570.45, 0.00322757/step, 1.76763 hours remaining, 237.640625 MB of memory in use. ENERGY: 3028400 3945.4854 20607.9034 14387.4965 229.4246 -203141.3694 2478.5333 0.0000 0.0000 51968.3825 -109524.1437 298.6630 -161492.5262 -109167.0905 299.6311 134.9062 159.0900 760629.0189 1.2603 1.0486 PRESSURE: 3028600 -320.891 -72.0055 -107.042 -72.0052 -188.955 96.7524 -107.042 96.7524 -370.65 GPRESSURE: 3028600 -269.297 16.0552 -98.7702 -125.752 -188.249 117.394 -76.912 129.09 -342.158 PRESSAVG: 3028600 -4.64511 9.79644 -15.2177 9.79649 -1.06726 -62.933 -15.2177 -62.933 8.27956 GPRESSAVG: 3028600 -3.76298 13.182 -15.4691 6.20521 -1.79901 -61.0028 -16.0293 -62.9568 8.09446 TIMING: 3028600 CPU: 9571.08, 0.00315169/step Wall: 9571.08, 0.00315169/step, 1.7259 hours remaining, 237.640625 MB of memory in use. ENERGY: 3028600 3960.6300 20558.8739 14415.0142 264.0258 -202830.0451 2045.4742 0.0000 0.0000 52254.8141 -109331.2129 300.3091 -161586.0270 -108957.7976 299.7729 -293.4986 -266.5681 759755.1694 0.8557 0.8442 PRESSURE: 3028800 151.926 44.3971 -33.6482 44.3981 149.83 22.9836 -33.6479 22.9832 -97.3548 GPRESSURE: 3028800 161.529 48.2315 38.4855 60.2317 158.37 -9.85138 179.743 4.17219 -12.7761 PRESSAVG: 3028800 49.4782 -14.0768 -28.8163 -14.0768 -10.1823 34.3734 -28.8164 34.3734 20.8953 GPRESSAVG: 3028800 48.1044 -14.8103 -29.2414 -10.658 -9.33814 33.1482 -28.1595 34.0206 21.97 TIMING: 3028800 CPU: 9571.71, 0.00314311/step Wall: 9571.71, 0.00314311/step, 1.72103 hours remaining, 237.640625 MB of memory in use. ENERGY: 3028800 3995.7168 20801.8284 14415.8642 230.5190 -203385.0713 2549.5800 0.0000 0.0000 52280.2156 -109111.3473 300.4551 -161391.5629 -108757.8425 300.5786 68.1340 102.3743 760724.5816 20.0637 20.2454 PRESSURE: 3029000 -96.8639 -7.58254 -22.0062 -7.58281 9.63252 67.3557 -22.006 67.3552 535.29 GPRESSURE: 3029000 -51.0151 -89.8583 -69.9194 25.6203 56.3832 120.609 -22.1368 103.232 537.909 PRESSAVG: 3029000 29.6608 -56.9373 18.5162 -56.9374 -6.69861 7.05648 18.5163 7.05649 2.67016 GPRESSAVG: 3029000 30.5855 -58.7354 20.208 -55.621 -5.79345 7.166 18.1861 7.16029 1.25183 TIMING: 3029000 CPU: 9572.34, 0.00315224/step Wall: 9572.34, 0.00315224/step, 1.72585 hours remaining, 237.640625 MB of memory in use. ENERGY: 3029000 3922.1266 20513.8432 14418.8354 249.1023 -203167.2700 2645.3673 0.0000 0.0000 52358.0030 -109059.9923 300.9022 -161417.9953 -108682.0748 300.9150 149.3528 181.0925 759872.5012 8.5441 8.6813 PRESSURE: 3029200 -36.1009 97.3784 233.482 97.3787 99.462 84.35 233.481 84.3497 -79.0892 GPRESSURE: 3029200 34.2173 91.3448 205.032 -21.311 64.5038 41.4872 245.062 94.5678 -30.4622 PRESSAVG: 3029200 51.5787 -14.709 22.8005 -14.7091 -47.2256 -5.52857 22.8004 -5.52856 12.1206 GPRESSAVG: 3029200 50.8018 -14.649 21.6051 -17.3138 -47.7094 -6.00046 21.9758 -4.75626 13.5486 TIMING: 3029200 CPU: 9572.97, 0.00316736/step Wall: 9572.97, 0.00316736/step, 1.73395 hours remaining, 237.640625 MB of memory in use. ENERGY: 3029200 4018.2536 20694.5051 14435.3901 259.9031 -203305.4403 2544.0303 0.0000 0.0000 52199.0511 -109154.3070 299.9887 -161353.3582 -108796.2298 300.6564 -5.2427 22.7530 761366.1834 5.4913 5.5470 PRESSURE: 3029400 286.834 114.346 194.672 114.346 126.026 -172.4 194.673 -172.401 181.058 GPRESSURE: 3029400 289.317 164.357 117.873 101.946 230.205 -88.4188 179.491 -98.5604 164.077 PRESSAVG: 3029400 51.5907 -7.32186 5.09967 -7.3219 -78.841 15.5897 5.09965 15.5898 21.494 GPRESSAVG: 3029400 52.2362 -7.23556 5.00064 -6.78215 -78.5132 15.3374 6.33039 17.2915 20.663 TIMING: 3029400 CPU: 9573.6, 0.00313484/step Wall: 9573.6, 0.00313484/step, 1.71598 hours remaining, 237.640625 MB of memory in use. ENERGY: 3029400 4057.9898 20530.7420 14424.3709 246.6598 -203315.3709 2572.3859 0.0000 0.0000 52270.1240 -109213.0983 300.3971 -161483.2223 -108850.0534 300.0720 197.9727 227.8664 760772.4958 -1.9188 -1.8713 PRESSURE: 3029600 162.163 -18.9964 -29.1973 -18.9969 -100.364 -94.2126 -29.1978 -94.2119 -118.705 GPRESSURE: 3029600 129.66 -55.692 -52.4226 128.257 -44.6987 -109.589 -30.1298 -58.2482 -68.0272 PRESSAVG: 3029600 -3.27146 -14.5188 10.6772 -14.5188 -38.046 46.1736 10.6772 46.1737 -13.4418 GPRESSAVG: 3029600 -3.70849 -12.2273 11.4006 -15.0959 -38.2063 46.7604 8.87953 46.1983 -13.2056 TIMING: 3029600 CPU: 9574.23, 0.00315251/step Wall: 9574.23, 0.00315251/step, 1.72547 hours remaining, 237.640625 MB of memory in use. ENERGY: 3029600 3973.7382 20563.9707 14472.3430 255.7319 -203667.6552 2716.9944 0.0000 0.0000 52446.5440 -109238.3331 301.4110 -161684.8770 -108865.7162 299.6958 -18.9688 5.6447 761274.7831 -18.2531 -18.3735 PRESSURE: 3029800 -109.441 44.6089 75.3054 44.6098 -241.078 -64.89 75.305 -64.8896 402.181 GPRESSURE: 3029800 -84.4085 15.9087 125.274 19.1389 -139.628 -10.8892 88.2134 -94.2524 355.268 PRESSAVG: 3029800 11.8509 -3.53706 45.3169 -3.53705 -21.7005 -21.0839 45.3169 -21.0839 -9.41942 GPRESSAVG: 3029800 11.9344 -6.2616 47.4176 -3.10677 -21.8682 -20.7723 46.0626 -20.3636 -8.36576 TIMING: 3029800 CPU: 9574.85, 0.00313415/step Wall: 9574.85, 0.00313415/step, 1.71525 hours remaining, 237.640625 MB of memory in use. ENERGY: 3029800 4019.7464 20488.4679 14468.5784 275.8074 -203415.2361 2475.7662 0.0000 0.0000 52390.9303 -109295.9396 301.0914 -161686.8698 -108931.6003 300.0767 17.2204 43.7439 759560.4236 -6.4230 -6.0999 PRESSURE: 3030000 -94.0684 -227.256 42.9123 -227.256 -42.9571 18.665 42.913 18.6649 34.3762 GPRESSURE: 3030000 -72.2156 -273.336 70.8235 -131.622 36.4001 -35.1622 23.2787 67.1421 34.5319 PRESSAVG: 3030000 2.10234 -19.6558 36.9138 -19.6557 -37.3168 2.80231 36.9139 2.80231 -14.1609 GPRESSAVG: 3030000 1.83604 -17.2676 35.1931 -20.8841 -37.393 2.13 37.9996 -0.140926 -13.5157 TIMING: 3030000 CPU: 9575.48, 0.00314636/step Wall: 9575.48, 0.00314636/step, 1.72176 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3030000 4019.3597 20700.2601 14387.8539 236.6511 -203346.0211 2508.2877 0.0000 0.0000 52218.2738 -109275.3348 300.0991 -161493.6086 -108912.2910 300.5466 -34.2164 -0.4279 760513.6985 -16.4584 -16.3576 PRESSURE: 3030200 336.649 200.658 -36.7328 200.659 221.984 -171.505 -36.7325 -171.505 38.5613 GPRESSURE: 3030200 389.121 175.709 -68.4517 81.3499 246.431 -122.603 129.334 -85.5574 63.5582 PRESSAVG: 3030200 19.5194 -67.7437 -6.73151 -67.7437 -52.4341 -15.6165 -6.73158 -15.6165 6.70728 GPRESSAVG: 3030200 20.9375 -69.5081 -6.67659 -66.4329 -53.2321 -14.8678 -8.71591 -14.782 6.1452 TIMING: 3030200 CPU: 9576.11, 0.0031493/step Wall: 9576.11, 0.0031493/step, 1.72319 hours remaining, 237.640625 MB of memory in use. ENERGY: 3030200 3903.4221 20835.5307 14389.9131 255.9282 -203541.7737 2736.3007 0.0000 0.0000 52033.2901 -109387.3889 299.0360 -161420.6789 -109029.5260 300.2713 199.0647 233.0369 759318.4368 -8.7358 -8.7165 PRESSURE: 3030400 -17.1051 -70.9538 -484.266 -70.9542 -133.804 25.1196 -484.266 25.1182 339.652 GPRESSURE: 3030400 11.4874 -148.062 -425.645 31.2154 -93.8995 83.4559 -447.792 -31.8877 359.471 PRESSAVG: 3030400 29.2114 -24.9304 -14.2705 -24.9303 -37.7665 26.8726 -14.2704 26.8726 14.8745 GPRESSAVG: 3030400 29.1454 -24.7449 -15.2165 -25.5834 -38.0119 27.9451 -11.7632 27.2069 15.2181 TIMING: 3030400 CPU: 9576.74, 0.00313827/step Wall: 9576.74, 0.00313827/step, 1.71698 hours remaining, 237.640625 MB of memory in use. ENERGY: 3030400 3939.0128 20629.7179 14342.3988 228.8608 -203767.1467 2987.2536 0.0000 0.0000 52142.6097 -109497.2931 299.6643 -161639.9028 -109133.9972 299.8032 62.9144 92.3531 761186.7588 2.1065 2.1172 PRESSURE: 3030600 196.292 215.211 75.1853 215.212 167.414 -76.9821 75.1846 -76.9818 103.483 GPRESSURE: 3030600 264.495 147.2 74.4423 154.542 250.527 9.38016 28.2779 -141.612 59.6462 PRESSAVG: 3030600 5.36794 -24.9144 18.0201 -24.9144 12.9674 5.00901 18.0201 5.00896 -0.0176313 GPRESSAVG: 3030600 4.88201 -25.6552 18.8109 -26.1631 14.0282 3.53534 14.8613 6.20665 -0.617408 TIMING: 3030600 CPU: 9577.37, 0.00314949/step Wall: 9577.37, 0.0031495/step, 1.72295 hours remaining, 237.640625 MB of memory in use. ENERGY: 3030600 3999.4885 20625.0257 14426.4043 263.7558 -203405.9105 2475.0497 0.0000 0.0000 52355.1593 -109261.0273 300.8858 -161616.1866 -108898.4707 299.6511 155.7298 191.5558 758736.3996 6.1059 6.0976 PRESSURE: 3030800 -264.854 -254.155 9.72542 -254.155 -129.684 -191.993 9.72573 -191.992 -339.521 GPRESSURE: 3030800 -248.04 -235.218 47.4838 -260.259 -167.656 -207.739 -86.1869 -240.689 -210.004 PRESSAVG: 3030800 -1.25831 30.5819 27.5272 30.5819 18.2288 -65.4216 27.5272 -65.4215 -6.28137 GPRESSAVG: 3030800 -0.160924 30.8775 26.8643 34.0906 17.0461 -64.765 27.8788 -66.5058 -5.88476 TIMING: 3030800 CPU: 9578, 0.00314066/step Wall: 9578, 0.00314066/step, 1.71794 hours remaining, 237.640625 MB of memory in use. ENERGY: 3030800 4023.5383 20627.9506 14425.4548 223.6284 -203107.8067 2468.0516 0.0000 0.0000 52151.6278 -109187.5553 299.7161 -161339.1830 -108825.4199 300.0710 -244.6862 -208.5665 760610.5158 3.5630 3.6668 PRESSURE: 3031000 -81.0489 -180.994 -114.184 -180.993 88.1073 -137.885 -114.184 -137.886 -108.07 GPRESSURE: 3031000 -32.0992 -100.946 -147.4 -184.173 154.024 -161.276 -54.9168 -53.2923 -139.577 PRESSAVG: 3031000 50.938 -13.1495 7.68883 -13.1494 1.38365 -43.0624 7.68882 -43.0624 -7.11116 GPRESSAVG: 3031000 49.7488 -10.1519 8.59577 -15.9484 2.93095 -43.4543 10.2772 -44.5946 -7.23607 TIMING: 3031000 CPU: 9578.63, 0.00313914/step Wall: 9578.63, 0.00313914/step, 1.71693 hours remaining, 237.640625 MB of memory in use. ENERGY: 3031000 3957.0153 20602.8116 14454.5316 244.7848 -203102.7557 2277.2052 0.0000 0.0000 52275.6264 -109290.7808 300.4287 -161566.4072 -108934.9661 300.2705 -33.6704 -5.8841 760645.1941 15.0702 15.1479 PRESSURE: 3031200 142.866 -45.9129 -62.4836 -45.9126 191.056 -37.0417 -62.4832 -37.0422 149.492 GPRESSURE: 3031200 146.222 -89.8414 25.1579 -83.2886 186.789 -54.8626 -197.617 -94.194 227.091 PRESSAVG: 3031200 16.3629 -25.6163 -28.7126 -25.6163 34.7051 -15.7271 -28.7127 -15.7271 2.06281 GPRESSAVG: 3031200 15.6452 -28.8013 -30.1662 -24.4813 35.3593 -14.3176 -29.9183 -12.9269 2.20808 TIMING: 3031200 CPU: 9579.25, 0.00312898/step Wall: 9579.25, 0.00312898/step, 1.7112 hours remaining, 237.640625 MB of memory in use. ENERGY: 3031200 3932.7962 20569.1294 14453.6157 250.4725 -203354.0615 2686.6802 0.0000 0.0000 52230.3438 -109231.0238 300.1685 -161461.3675 -108859.6646 300.4906 161.1379 186.7004 760648.7770 17.7103 17.7375 PRESSURE: 3031400 -36.1216 86.1342 53.8792 86.1344 101.931 127.322 53.8804 127.322 -177.703 GPRESSURE: 3031400 61.6026 90.8541 55.2932 54.7842 67.3232 152.387 136.112 118.846 -149.335 PRESSAVG: 3031400 24.254 10.9388 7.56437 10.9387 -61.4704 -50.6939 7.5644 -50.694 -8.77776 GPRESSAVG: 3031400 26.0423 12.2852 9.78765 11.111 -63.9918 -52.001 6.25103 -52.2732 -8.94928 TIMING: 3031400 CPU: 9579.88, 0.00312521/step Wall: 9579.88, 0.00312521/step, 1.70897 hours remaining, 237.640625 MB of memory in use. ENERGY: 3031400 4004.8257 20345.2087 14440.6699 247.1454 -203230.4137 2689.3429 0.0000 0.0000 52223.0892 -109280.1318 300.1268 -161503.2211 -108917.9844 299.8375 -37.2978 -6.8029 760693.2570 -15.3314 -15.6329 PRESSURE: 3031600 -451.333 71.5724 134.173 71.5715 -118.698 222.582 134.172 222.581 76.4435 GPRESSURE: 3031600 -300.327 211.494 159.289 68.0775 -178.914 209.777 48.2872 190.885 90.5463 PRESSAVG: 3031600 21.8982 51.7956 -13.0131 51.7956 -12.6964 -12.7264 -13.0132 -12.7265 -8.8524 GPRESSAVG: 3031600 20.7125 52.3326 -13.3989 53.8578 -11.9361 -12.1536 -13.9865 -12.8022 -8.57224 TIMING: 3031600 CPU: 9580.51, 0.00315371/step Wall: 9580.51, 0.00315371/step, 1.72438 hours remaining, 237.640625 MB of memory in use. ENERGY: 3031600 3953.9334 20696.1603 14553.3691 244.8827 -202749.6529 2123.8648 0.0000 0.0000 51930.3154 -109247.1271 298.4442 -161177.4425 -108889.8291 299.7876 -164.5293 -129.5650 761517.1809 0.1165 0.0681 PRESSURE: 3031800 65.9756 -20.0545 -31.4696 -20.055 -122.119 -18.4307 -31.4696 -18.4306 -157.32 GPRESSURE: 3031800 38.8822 24.5503 0.833357 64.3987 -61.3569 25.5695 81.6695 -38.766 -113.294 PRESSAVG: 3031800 22.2625 12.8616 -11.5874 12.8617 -42.5312 -11.2955 -11.5874 -11.2956 -33.7426 GPRESSAVG: 3031800 22.3609 12.4618 -12.4143 10.88 -42.1162 -11.5532 -10.3188 -11.4452 -34.0962 TIMING: 3031800 CPU: 9581.14, 0.00315535/step Wall: 9581.14, 0.00315535/step, 1.7251 hours remaining, 237.640625 MB of memory in use. ENERGY: 3031800 4020.9682 20727.8688 14382.5738 242.8482 -203398.8967 2447.5227 0.0000 0.0000 52157.1063 -109420.0086 299.7476 -161577.1149 -109057.6570 299.8136 -71.1544 -45.2563 761450.3751 -18.0038 -17.9505 PRESSURE: 3032000 -498.735 -2.82366 190.551 -2.82387 -8.04271 -18.8983 190.551 -18.8979 5.2213 GPRESSURE: 3032000 -467.598 75.4238 160.744 -37.8846 -12.1609 -14.3197 210.286 116.277 50.8208 PRESSAVG: 3032000 -24.5535 14.0944 -5.9909 14.0944 7.40926 -1.92785 -5.99096 -1.92785 -1.69216 GPRESSAVG: 3032000 -23.5976 14.0609 -5.60639 15.5971 7.10868 -2.00095 -3.73699 -0.035344 -2.40251 TIMING: 3032000 CPU: 9581.77, 0.00313817/step Wall: 9581.77, 0.00313817/step, 1.71553 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3032000 4037.5489 20584.2282 14391.0002 250.3151 -203479.9199 2455.0580 0.0000 0.0000 52222.4496 -109539.3200 300.1231 -161761.7696 -109171.7095 299.6675 -167.1854 -142.9795 761694.8988 -6.2788 -6.2971 PRESSURE: 3032200 313.118 46.7658 -71.5922 46.766 329.06 -66.0781 -71.5931 -66.0777 154.267 GPRESSURE: 3032200 361.617 -6.04628 -30.5556 -96.735 320.677 -84.6376 -126.813 -91.2365 200.939 PRESSAVG: 3032200 -59.6267 10.1412 27.3527 10.1412 33.4284 35.7741 27.3527 35.774 -15.1371 GPRESSAVG: 3032200 -60.612 9.87958 27.5082 7.53796 33.9984 35.7746 24.6811 37.0508 -14.3089 TIMING: 3032200 CPU: 9582.4, 0.00315855/step Wall: 9582.4, 0.00315855/step, 1.7265 hours remaining, 237.640625 MB of memory in use. ENERGY: 3032200 3902.8898 20498.4656 14328.0134 244.7443 -203592.2265 2762.4910 0.0000 0.0000 52277.6923 -109577.9301 300.4406 -161855.6223 -109206.9668 299.3285 265.4816 294.4112 759886.1579 -13.7785 -13.6409 LDB: ============= START OF LOAD BALANCING ============== 9594.8 LDB: ============== END OF LOAD BALANCING =============== 9594.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9594.8 LDB: ============= START OF LOAD BALANCING ============== 9595.11 LDB: Largest compute 7059 load 0.031297 is 16.0% of average load 0.196076 LDB: Average compute 0.004388 is 2.2% of average load 0.196076 LDB: TIME 9595.12 LOAD: AVG 0.196076 MAX 0.214764 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.445 MB LDB: TIME 9595.12 LOAD: AVG 0.196076 MAX 0.214764 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.449 MB LDB: TIME 9595.12 LOAD: AVG 0.196076 MAX 0.214764 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.449 MB LDB: ============== END OF LOAD BALANCING =============== 9595.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9595.12 PRESSURE: 3032400 -582.099 22.3397 243.99 22.3405 -80.0079 230.638 243.99 230.638 -223.434 GPRESSURE: 3032400 -585.378 -17.6674 242.388 55.0877 -19.9235 195.319 143.088 285.026 -198.874 PRESSAVG: 3032400 19.0309 29.7798 -29.9614 29.7797 -32.6666 54.7322 -29.9614 54.7322 18.6428 GPRESSAVG: 3032400 19.362 30.2863 -30.4625 29.5784 -32.2492 56.1384 -28.6121 51.5323 17.7849 TIMING: 3032400 CPU: 9583.04, 0.00321615/step Wall: 9583.04, 0.00321615/step, 1.7578 hours remaining, 238.867188 MB of memory in use. ENERGY: 3032400 4029.8582 20467.5728 14356.1266 262.3916 -202882.8657 2063.4499 0.0000 0.0000 52183.8967 -109519.5699 299.9016 -161703.4666 -109157.3861 299.4838 -295.1800 -268.0586 759791.4346 1.6690 1.6326 PRESSURE: 3032600 -93.297 30.5875 -72.2986 30.5874 127.381 62.0598 -72.2975 62.0586 61.1938 GPRESSURE: 3032600 -27.3371 3.14263 -48.3171 5.79039 165.835 86.6127 -154.417 110.422 41.1655 PRESSAVG: 3032600 -27.3082 -15.6522 -19.289 -15.6522 68.0386 -20.9905 -19.2891 -20.9905 23.337 GPRESSAVG: 3032600 -28.4753 -15.0443 -20.2702 -15.6285 68.3792 -20.7609 -20.6079 -20.1258 24.337 TIMING: 3032600 CPU: 9583.67, 0.00314306/step Wall: 9583.67, 0.00314306/step, 1.71768 hours remaining, 238.867188 MB of memory in use. ENERGY: 3032600 4094.0528 20506.6219 14407.0167 257.5857 -203346.0227 2471.6648 0.0000 0.0000 52181.6228 -109427.4581 299.8885 -161609.0809 -109077.0830 299.8153 31.7592 59.8876 761083.8683 21.3558 21.4136 PRESSURE: 3032800 -391.7 -221.771 121.78 -221.771 -395.583 -382.746 121.779 -382.745 -420.96 GPRESSURE: 3032800 -351.28 -246.026 134.143 -156.894 -376.412 -415.674 17.7441 -289.888 -386.031 PRESSAVG: 3032800 20.5191 -26.8497 -32.0857 -26.8498 -6.31707 -33.3762 -32.0857 -33.3762 10.77 GPRESSAVG: 3032800 23.5096 -27.6385 -31.4629 -25.8691 -8.0414 -34.4576 -32.4927 -33.8814 10.1013 TIMING: 3032800 CPU: 9584.3, 0.00315467/step Wall: 9584.3, 0.00315467/step, 1.72385 hours remaining, 238.867188 MB of memory in use. ENERGY: 3032800 3992.8317 20662.5199 14457.6134 241.2055 -203331.2527 2422.6833 0.0000 0.0000 52058.1759 -109496.2229 299.1791 -161554.3988 -109132.0873 299.4807 -402.7476 -371.2407 761261.5839 8.3240 8.5232 PRESSURE: 3033000 -69.7412 -57.2606 -219.843 -57.2604 -58.1593 60.4453 -219.842 60.4447 92.6219 GPRESSURE: 3033000 3.90521 -149.994 -349.18 -123.262 -51.0447 175.196 15.5308 120.265 95.8769 PRESSAVG: 3033000 -10.7775 -1.05599 -33.2738 -1.05603 -6.02645 34.6869 -33.2738 34.6869 2.09031 GPRESSAVG: 3033000 -11.4075 -0.322773 -32.7206 -1.64816 -5.91698 35.6933 -31.5938 34.1654 3.10546 TIMING: 3033000 CPU: 9584.93, 0.00315029/step Wall: 9584.93, 0.00315029/step, 1.72128 hours remaining, 238.867188 MB of memory in use. ENERGY: 3033000 3902.5437 20488.5098 14480.8501 253.7537 -203503.4522 2564.2441 0.0000 0.0000 52418.4727 -109395.0782 301.2497 -161813.5509 -109015.5646 299.9038 -11.7595 16.2458 760546.7869 -4.9046 -4.7397 PRESSURE: 3033200 -317.937 -89.7533 81.6438 -89.7527 150.812 80.5845 81.6434 80.584 -260.813 GPRESSURE: 3033200 -292.47 -90.7235 67.5182 -241.223 183.407 79.2242 -77.7439 119.776 -247.544 PRESSAVG: 3033200 -32.7037 20.2318 -32.4121 20.2317 26.1985 29.2844 -32.4121 29.2844 -10.2753 GPRESSAVG: 3033200 -33.4364 19.2563 -34.0229 19.4515 26.1396 27.7105 -31.5569 30.8306 -10.4526 TIMING: 3033200 CPU: 9585.56, 0.00316194/step Wall: 9585.56, 0.00316194/step, 1.72747 hours remaining, 238.867188 MB of memory in use. ENERGY: 3033200 3923.7973 20557.5202 14490.6633 247.2108 -203612.3321 2494.1592 0.0000 0.0000 52313.3980 -109585.5832 300.6458 -161898.9812 -109235.0385 300.0105 -142.6460 -118.8691 760504.4097 -5.5935 -5.9165 PRESSURE: 3033400 -137.333 -41.3148 -174.049 -41.3149 -248.76 -339.799 -174.049 -339.8 369.015 GPRESSURE: 3033400 -167.413 -27.1539 -131.538 91.6983 -98.434 -346.308 -173.931 -298.292 332.766 PRESSAVG: 3033400 -50.7559 2.88153 47.8801 2.8815 89.5703 -36.6876 47.88 -36.6876 27.1578 GPRESSAVG: 3033400 -51.8628 2.73676 49.5287 3.15105 92.1721 -34.4842 45.0298 -38.1303 26.1742 TIMING: 3033400 CPU: 9586.2, 0.00315722/step Wall: 9586.2, 0.00315722/step, 1.72472 hours remaining, 238.867188 MB of memory in use. ENERGY: 3033400 4010.6542 20643.4134 14419.7904 252.5874 -203465.9451 2644.9428 0.0000 0.0000 51708.3909 -109786.1659 297.1688 -161494.5569 -109416.0695 299.4513 -5.6925 22.3061 761067.0235 21.9907 22.1612 PRESSURE: 3033600 299.802 -58.5067 195.747 -58.5074 214.822 -109.966 195.748 -109.966 134.025 GPRESSURE: 3033600 437.98 -19.499 158.087 -160.701 192.878 -131.859 96.1607 -68.3607 93.2446 PRESSAVG: 3033600 -46.9354 -4.24688 -11.5931 -4.24687 15.6976 10.016 -11.5931 10.016 -8.49494 GPRESSAVG: 3033600 -46.0186 -3.73012 -10.0653 -2.51746 14.1829 8.40239 -11.0301 9.54733 -8.25324 TIMING: 3033600 CPU: 9586.83, 0.00315515/step Wall: 9586.83, 0.00315515/step, 1.72341 hours remaining, 238.867188 MB of memory in use. ENERGY: 3033600 3979.3065 20511.1034 14535.4676 250.9203 -203739.8720 2611.7917 0.0000 0.0000 51849.4617 -110001.8207 297.9796 -161851.2825 -109648.3299 298.6803 216.2165 241.3674 759414.0358 -13.2443 -13.3630 PRESSURE: 3033800 -72.1058 -40.8432 -55.4627 -40.8439 74.4829 -33.7143 -55.4622 -33.7143 -286.221 GPRESSURE: 3033800 -13.4421 -15.8246 -57.4183 -59.9664 0.770579 -59.4144 -43.911 -135.533 -189.732 PRESSAVG: 3033800 -45.958 6.90864 5.76352 6.9086 70.0458 -11.6699 5.76349 -11.6699 -4.87094 GPRESSAVG: 3033800 -45.762 6.7222 4.7293 9.56313 68.1467 -12.5575 5.94935 -8.85611 -3.32408 TIMING: 3033800 CPU: 9587.46, 0.00315041/step Wall: 9587.46, 0.00315041/step, 1.72065 hours remaining, 238.867188 MB of memory in use. ENERGY: 3033800 3995.2894 20615.3631 14425.2593 256.9888 -203546.4943 2411.3034 0.0000 0.0000 52052.9289 -109789.3613 299.1489 -161842.2902 -109432.3838 298.7510 -94.6148 -67.4678 759934.0182 6.4056 6.3535 PRESSURE: 3034000 -210.748 115.347 -104.826 115.346 201.742 69.6983 -104.827 69.6979 -149.092 GPRESSURE: 3034000 -117.793 -29.2223 -169.957 101.531 203.042 67.7149 -119.975 44.5999 -158.955 PRESSAVG: 3034000 -69.7726 -33.0433 -63.8166 -33.0433 34.5637 19.9263 -63.8167 19.9263 7.12064 GPRESSAVG: 3034000 -70.0173 -33.4834 -66.1437 -36.5249 35.3995 20.4333 -63.0269 18.5045 6.73485 TIMING: 3034000 CPU: 9588.08, 0.00313855/step Wall: 9588.08, 0.00313855/step, 1.714 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3034000 3948.0489 20532.1039 14473.5715 258.3192 -203664.5418 2577.4801 0.0000 0.0000 52257.6757 -109617.3426 300.3256 -161875.0182 -109250.1889 299.5893 -52.6995 -24.5687 760309.8900 -9.3628 -9.2943 PRESSURE: 3034200 252.181 110.359 -91.7683 110.359 268.072 126.441 -91.7685 126.441 535.554 GPRESSURE: 3034200 314.691 168.503 -8.4463 234.025 339.401 214.768 -16.3369 55.2962 475.432 PRESSAVG: 3034200 20.2922 -44.439 -69.299 -44.439 14.9308 -5.99594 -69.2991 -5.99592 -6.93312 GPRESSAVG: 3034200 21.4285 -41.4647 -67.9716 -44.033 15.426 -5.85538 -67.7481 -6.36791 -8.22242 TIMING: 3034200 CPU: 9588.72, 0.00316175/step Wall: 9588.72, 0.00316175/step, 1.72649 hours remaining, 238.867188 MB of memory in use. ENERGY: 3034200 3944.2115 20454.9495 14454.4714 262.6359 -204135.3992 3015.5840 0.0000 0.0000 52127.8110 -109875.7360 299.5792 -162003.5470 -109504.1128 299.3735 351.9357 376.5081 760588.6325 9.4300 9.5440 PRESSURE: 3034400 67.2645 97.6401 76.4172 97.6396 -87.6607 -56.5051 76.4171 -56.5049 20.2754 GPRESSURE: 3034400 82.0752 -16.7773 133.479 54.1345 -140.64 -134.987 158.773 -5.06928 102.782 PRESSAVG: 3034400 -26.7176 -30.0202 -26.3297 -30.0202 -25.3664 -29.8865 -26.3297 -29.8865 -28.5365 GPRESSAVG: 3034400 -27.792 -33.4786 -25.2348 -30.811 -25.1788 -30.0082 -26.682 -30.0686 -27.94 TIMING: 3034400 CPU: 9589.35, 0.00315103/step Wall: 9589.35, 0.00315103/step, 1.72046 hours remaining, 238.867188 MB of memory in use. ENERGY: 3034400 3912.6641 20598.8134 14511.3864 274.9666 -203735.1330 2491.9891 0.0000 0.0000 52086.7942 -109858.5193 299.3435 -161945.3135 -109490.5675 298.8453 -0.0403 14.7391 761064.2468 -26.8735 -26.9703 PRESSURE: 3034600 -162.228 185.671 -104.393 185.67 -200.945 -26.5853 -104.393 -26.5853 -58.6844 GPRESSURE: 3034600 -146.477 103.736 -88.9865 176.451 -166.178 2.05456 -202.91 -88.5521 -18.7383 PRESSAVG: 3034600 5.88669 28.5701 -70.1916 28.57 -23.9855 27.0723 -70.1917 27.0723 -16.9607 GPRESSAVG: 3034600 5.42749 29.2371 -71.0524 27.6621 -24.2154 26.8163 -71.8919 28.1105 -16.2284 TIMING: 3034600 CPU: 9589.98, 0.00315215/step Wall: 9589.98, 0.00315216/step, 1.7209 hours remaining, 238.867188 MB of memory in use. ENERGY: 3034600 3950.5815 20546.3243 14474.5326 241.8354 -203865.1221 2533.0473 0.0000 0.0000 52066.0015 -110052.7995 299.2240 -162118.8011 -109701.9829 298.6942 -140.6189 -110.4642 760230.0941 -11.6865 -11.6721 PRESSURE: 3034800 -109.251 14.3604 -120.305 14.36 -513.357 24.1024 -120.304 24.1016 -176.023 GPRESSURE: 3034800 -98.0036 101.662 -82.8298 -26.0395 -396.725 14.1807 -165.693 105.966 -204.135 PRESSAVG: 3034800 -31.0855 -29.4009 5.89221 -29.4009 24.3071 -44.2431 5.8922 -44.243 24.6348 GPRESSAVG: 3034800 -29.3387 -28.3851 5.67326 -28.2963 22.6066 -42.6845 6.3329 -43.5351 24.2199 TIMING: 3034800 CPU: 9590.61, 0.00314618/step Wall: 9590.61, 0.00314618/step, 1.71746 hours remaining, 238.867188 MB of memory in use. ENERGY: 3034800 4017.4144 20624.6718 14400.5758 251.4885 -203400.8687 2329.5499 0.0000 0.0000 52019.0723 -109758.0960 298.9543 -161777.1683 -109405.2244 298.6508 -266.2104 -232.9546 760202.3866 5.9521 5.8293 PRESSURE: 3035000 -113.322 62.3787 56.3243 62.3793 -170.31 -46.6376 56.3245 -46.6375 -208.012 GPRESSURE: 3035000 -163.433 21.3663 6.69729 59.5141 -73.7618 -185.484 59.1864 -85.3715 -174.663 PRESSAVG: 3035000 -40.6574 59.0815 36.9758 59.0816 43.9133 20.1646 36.9757 20.1646 1.26363 GPRESSAVG: 3035000 -42.5888 57.5533 36.8957 59.5625 45.1963 19.4185 36.8607 19.3805 1.23969 TIMING: 3035000 CPU: 9591.24, 0.00314444/step Wall: 9591.24, 0.00314445/step, 1.71634 hours remaining, 238.867188 MB of memory in use. ENERGY: 3035000 3990.4807 20578.4184 14472.8843 255.0201 -203651.9470 2723.0810 0.0000 0.0000 51856.8536 -109775.2089 298.0221 -161632.0625 -109408.1576 299.4091 -163.8814 -137.2859 760227.3472 1.5065 1.2824 PRESSURE: 3035200 -244.644 80.518 -167.065 80.5184 -128.743 -182.767 -167.065 -182.766 -220.498 GPRESSURE: 3035200 -221.348 134.367 -117.936 1.80719 -71.0051 -184.327 -116.456 -367.588 -198.974 PRESSAVG: 3035200 -36.4967 -21.9492 -17.6522 -21.9492 26.3173 -20.3132 -17.6522 -20.3133 18.1089 GPRESSAVG: 3035200 -34.9103 -21.3204 -17.5788 -23.0198 23.7952 -20.6445 -16.6936 -19.451 18.6164 TIMING: 3035200 CPU: 9591.87, 0.00314916/step Wall: 9591.87, 0.00314916/step, 1.71874 hours remaining, 238.867188 MB of memory in use. ENERGY: 3035200 3932.2629 20609.7717 14453.0080 277.0332 -203840.6338 2289.4169 0.0000 0.0000 52187.5086 -110091.6326 299.9223 -162279.1412 -109719.7360 298.7098 -197.9616 -163.7757 759600.6625 2.6432 2.5004 PRESSURE: 3035400 -182.548 -58.4507 -195.787 -58.45 -288.781 -56.4294 -195.787 -56.4288 -289.013 GPRESSURE: 3035400 -45.7173 -2.34469 -170.838 -97.7456 -247.771 -21.6575 -214.757 -84.1189 -385.991 PRESSAVG: 3035400 -28.9985 5.79204 -16.107 5.79203 9.36612 -65.6299 -16.107 -65.6299 -19.8573 GPRESSAVG: 3035400 -29.865 7.69564 -14.5832 4.9822 10.6441 -63.6915 -16.9512 -68.3358 -20.5175 TIMING: 3035400 CPU: 9592.5, 0.00315396/step Wall: 9592.5, 0.00315396/step, 1.72119 hours remaining, 238.867188 MB of memory in use. ENERGY: 3035400 4012.7766 20626.0880 14429.1076 243.5272 -203993.2361 2701.2217 0.0000 0.0000 51720.6653 -110259.8497 297.2394 -161980.5150 -109888.5406 298.3717 -253.4472 -226.4929 760303.6086 -13.1632 -13.2461 PRESSURE: 3035600 92.3526 171.249 -134.026 171.248 61.1698 -6.1374 -134.026 -6.13627 195.036 GPRESSURE: 3035600 35.2854 175.7 -107.078 174.283 167.853 -51.2982 -192.066 -74.3762 223.016 PRESSAVG: 3035600 -56.4857 -10.6363 -52.8507 -10.6364 42.9326 -11.3978 -52.8508 -11.3978 -1.17108 GPRESSAVG: 3035600 -55.8946 -12.6195 -52.7533 -10.4731 42.3035 -13.6674 -53.3755 -9.79568 -1.14722 TIMING: 3035600 CPU: 9593.13, 0.00315634/step Wall: 9593.13, 0.00315634/step, 1.72231 hours remaining, 238.867188 MB of memory in use. ENERGY: 3035600 3944.6508 20496.2624 14512.4357 245.1663 -203918.5900 2771.7785 0.0000 0.0000 51964.6613 -109983.6351 298.6416 -161948.2964 -109620.4841 297.8218 116.1862 142.0512 760741.6227 -4.9081 -4.9128 PRESSURE: 3035800 124.058 -220.917 -56.1979 -220.917 81.6892 82.7801 -56.1986 82.7801 91.0315 GPRESSURE: 3035800 183.565 -108.563 -7.25615 -131.715 158.306 10.9195 -11.6558 103.994 45.7184 PRESSAVG: 3035800 8.1259 4.21145 18.7256 4.21152 -6.25979 -21.1696 18.7257 -21.1696 -5.93617 GPRESSAVG: 3035800 8.38155 2.86489 17.8663 5.66548 -6.09254 -19.8507 17.7988 -21.0353 -6.71263 TIMING: 3035800 CPU: 9593.76, 0.00315184/step Wall: 9593.76, 0.00315184/step, 1.71968 hours remaining, 238.867188 MB of memory in use. ENERGY: 3035800 3954.2160 20666.5639 14368.5374 262.4598 -203678.1467 2670.0805 0.0000 0.0000 51733.9140 -110022.3750 297.3155 -161756.2891 -109665.5123 298.8318 98.9262 129.1963 759715.9123 -1.3567 -1.4745 PRESSURE: 3036000 -78.6506 11.1356 272.733 11.136 169.083 -37.5242 272.732 -37.5247 -17.9813 GPRESSURE: 3036000 -73.0386 -75.6067 197.393 -108.811 197.651 28.3713 229.812 29.4428 36.8092 PRESSAVG: 3036000 -13.0621 -16.0285 26.1325 -16.0285 34.5242 -7.48941 26.1325 -7.48934 -20.4024 GPRESSAVG: 3036000 -12.8468 -16.6558 26.2757 -16.8537 34.9164 -6.26505 28.399 -7.78762 -20.9386 TIMING: 3036000 CPU: 9594.39, 0.00315998/step Wall: 9594.39, 0.00315998/step, 1.72395 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3036000 3919.8921 20594.9473 14406.8037 253.4536 -204038.1680 2770.4166 0.0000 0.0000 51852.6196 -110240.0351 297.9977 -162092.6547 -109881.2776 298.0952 24.1503 53.8071 759132.2600 0.3532 0.3770 PRESSURE: 3036200 365.129 -37.4092 175.298 -37.4086 173.015 124.726 175.298 124.726 156.543 GPRESSURE: 3036200 460.921 43.5095 131.908 7.61125 176.702 67.3259 66.3861 88.8407 156.017 PRESSAVG: 3036200 49.973 -18.5819 -24.9949 -18.5819 5.03799 -23.5702 -24.9949 -23.5702 3.46296 GPRESSAVG: 3036200 49.006 -16.715 -26.4099 -19.2675 4.84986 -25.851 -24.2864 -23.1425 4.49048 TIMING: 3036200 CPU: 9595.02, 0.00315421/step Wall: 9595.02, 0.00315421/step, 1.72062 hours remaining, 238.867188 MB of memory in use. ENERGY: 3036200 3945.8661 20498.8099 14346.5289 228.0926 -203648.8268 2679.0642 0.0000 0.0000 51805.3178 -110145.1473 297.7259 -161950.4651 -109778.9554 298.6041 231.5623 264.5466 758660.2461 19.4913 19.4488 LDB: ============= START OF LOAD BALANCING ============== 9607.42 LDB: ============== END OF LOAD BALANCING =============== 9607.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9607.42 LDB: ============= START OF LOAD BALANCING ============== 9607.74 LDB: Largest compute 7058 load 0.033880 is 17.3% of average load 0.196054 LDB: Average compute 0.004376 is 2.2% of average load 0.196054 LDB: TIME 9607.74 LOAD: AVG 0.196054 MAX 0.213754 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 9607.74 LOAD: AVG 0.196054 MAX 0.213754 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 9607.74 LOAD: AVG 0.196054 MAX 0.213754 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 9607.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9607.75 PRESSURE: 3036400 -179.166 29.7589 150.312 29.759 108.586 -257.908 150.312 -257.906 198.296 GPRESSURE: 3036400 -16.6173 47.1963 104.254 8.40118 136.137 -148.265 121.649 -220.826 94.1998 PRESSAVG: 3036400 -24.4933 -42.1945 -10.3613 -42.1945 -1.00756 -52.1413 -10.3613 -52.1413 3.15181 GPRESSAVG: 3036400 -23.7203 -41.2476 -8.69129 -41.5483 -0.974553 -50.7389 -10.2997 -52.7646 2.6087 TIMING: 3036400 CPU: 9595.66, 0.00321895/step Wall: 9595.66, 0.00321895/step, 1.75576 hours remaining, 239.125000 MB of memory in use. ENERGY: 3036400 3994.7237 20514.1915 14350.0352 249.3330 -204170.7682 2664.9215 0.0000 0.0000 52211.4360 -110186.1273 300.0598 -162397.5633 -109824.8709 298.2554 42.5719 71.2399 758842.7503 -7.4497 -7.3620 PRESSURE: 3036600 -355.281 39.6945 12.7561 39.6953 -174.775 -92.8282 12.7563 -92.8284 122.875 GPRESSURE: 3036600 -319.039 22.4183 19.2167 -12.2554 -162.888 11.6874 19.5365 -114.414 164.876 PRESSAVG: 3036600 -15.3678 -31.4493 -1.72946 -31.4493 12.8392 -36.4703 -1.72954 -36.4703 -2.16 GPRESSAVG: 3036600 -16.0921 -32.2737 -2.46258 -33.3377 12.93 -38.909 -3.45335 -34.4296 -1.76737 TIMING: 3036600 CPU: 9596.29, 0.00315298/step Wall: 9596.29, 0.00315298/step, 1.7196 hours remaining, 239.328125 MB of memory in use. ENERGY: 3036600 3967.4686 20526.5070 14348.2254 244.0996 -203633.2656 2502.8130 0.0000 0.0000 51670.0035 -110374.1485 296.9482 -162044.1520 -110001.7700 297.7458 -135.7272 -105.6835 759974.0714 -1.5629 -1.6431 PRESSURE: 3036800 -156.13 -7.69953 -227.015 -7.69958 19.8334 -78.623 -227.014 -78.6221 -373.412 GPRESSURE: 3036800 -197.661 -1.57915 -196.156 58.6334 37.6384 50.8617 -149.155 -125.245 -266.825 PRESSAVG: 3036800 -49.7614 -25.7705 -21.6626 -25.7705 7.91696 11.8231 -21.6626 11.8231 -4.78682 GPRESSAVG: 3036800 -48.5098 -26.35 -21.8571 -24.284 7.42857 12.815 -21.2461 10.8198 -5.58374 TIMING: 3036800 CPU: 9596.93, 0.00316906/step Wall: 9596.93, 0.00316906/step, 1.72819 hours remaining, 239.328125 MB of memory in use. ENERGY: 3036800 3997.2402 20559.1626 14424.5355 241.6926 -203713.6400 2609.9286 0.0000 0.0000 51856.3695 -110024.7110 298.0193 -161881.0805 -109675.6698 297.7211 -169.9029 -142.2826 759758.9641 -15.5438 -15.5550 PRESSURE: 3037000 -5.6828 266.118 -43.289 266.119 -81.9662 -99.5318 -43.2891 -99.5321 200.757 GPRESSURE: 3037000 55.8967 205.949 6.84096 305.683 -49.8276 -52.9198 8.39488 -38.5759 186.261 PRESSAVG: 3037000 -24.8256 -11.0105 -2.30057 -11.0105 36.6307 -31.6795 -2.30065 -31.6796 1.83835 GPRESSAVG: 3037000 -24.9128 -9.95146 -2.63117 -12.9456 37.0113 -30.1425 -1.71919 -33.0358 1.81297 TIMING: 3037000 CPU: 9597.56, 0.00317297/step Wall: 9597.56, 0.00317297/step, 1.73015 hours remaining, 239.328125 MB of memory in use. ENERGY: 3037000 4003.4209 20545.5727 14396.2100 249.0383 -203558.0200 2354.1867 0.0000 0.0000 51873.0224 -110136.5691 298.1150 -162009.5914 -109777.2328 298.3339 37.7027 64.1100 758809.1961 4.5478 4.6372 PRESSURE: 3037200 -64.3034 -106.069 121.474 -106.069 161.653 -204.937 121.474 -204.936 -19.6944 GPRESSURE: 3037200 65.8662 -119.986 153.631 -123.648 156.99 -223.613 21.5516 -140.535 -65.0864 PRESSAVG: 3037200 -5.20019 -11.7656 -30.9061 -11.7656 28.9012 -10.7764 -30.9061 -10.7764 21.4088 GPRESSAVG: 3037200 -6.68752 -13.4516 -31.3496 -8.85398 29.5967 -11.8942 -30.8036 -8.68014 22.5032 TIMING: 3037200 CPU: 9598.2, 0.00316891/step Wall: 9598.2, 0.00316891/step, 1.72776 hours remaining, 239.328125 MB of memory in use. ENERGY: 3037200 3996.5127 20402.0585 14366.5273 258.3798 -203516.9624 2618.8472 0.0000 0.0000 51951.3901 -109923.2469 298.5654 -161874.6369 -109569.1235 298.4361 25.8850 52.5898 760362.9749 15.0366 15.1374 PRESSURE: 3037400 -7.0744 67.9673 115.561 67.9681 189.216 234.077 115.562 234.077 150.138 GPRESSURE: 3037400 -14.255 40.1464 79.9244 -25.4559 219.824 213.348 233.703 162.47 229.838 PRESSAVG: 3037400 21.0025 -21.4028 -34.4532 -21.4029 -2.59771 -9.03074 -34.4532 -9.0307 -5.39699 GPRESSAVG: 3037400 21.6198 -19.4729 -33.5227 -21.9253 -2.83364 -9.21044 -34.0087 -10.1524 -5.53756 TIMING: 3037400 CPU: 9598.83, 0.00314651/step Wall: 9598.83, 0.00314651/step, 1.71537 hours remaining, 239.328125 MB of memory in use. ENERGY: 3037400 3974.0243 20407.9181 14446.5380 234.1054 -203808.1651 2613.6926 0.0000 0.0000 52166.5314 -109965.3553 299.8018 -162131.8867 -109603.0454 298.6092 110.7598 145.1358 761041.4123 4.3359 4.4162 PRESSURE: 3037600 -78.6668 54.6902 -10.0167 54.6904 163.051 -421.088 -10.0168 -421.089 45.2769 GPRESSURE: 3037600 18.8418 100.484 47.7136 21.9735 105.692 -433.898 -140.4 -312.733 72.7344 PRESSAVG: 3037600 -84.6344 -30.9922 35.9081 -30.9923 61.3625 1.35657 35.9081 1.35659 9.68343 GPRESSAVG: 3037600 -84.977 -29.8959 36.4472 -31.3514 60.8263 2.25574 34.4888 1.14507 10.5829 TIMING: 3037600 CPU: 9599.45, 0.00314089/step Wall: 9599.45, 0.00314089/step, 1.71213 hours remaining, 239.328125 MB of memory in use. ENERGY: 3037600 3920.6636 20195.3343 14443.8513 230.0599 -203111.0429 2470.5722 0.0000 0.0000 52005.0817 -109845.4798 298.8739 -161850.5615 -109481.6351 298.2612 43.2204 65.7562 760433.5927 -4.5295 -4.5226 PRESSURE: 3037800 -275.739 -166.303 -80.9065 -166.303 -255.889 238.724 -80.9056 238.724 -143.104 GPRESSURE: 3037800 -255.524 -122.286 -110.168 -147.392 -189.845 209.436 26.5383 216.696 -152.742 PRESSAVG: 3037800 -17.0198 -33.1861 25.6844 -33.186 6.04662 -41.9776 25.6844 -41.9776 -6.25322 GPRESSAVG: 3037800 -16.8364 -34.8643 24.5334 -33.0569 6.55585 -43.1199 28.284 -41.4399 -7.25886 TIMING: 3037800 CPU: 9600.09, 0.00315792/step Wall: 9600.09, 0.00315792/step, 1.72124 hours remaining, 239.328125 MB of memory in use. ENERGY: 3037800 3955.9511 20561.1711 14382.9478 248.1361 -203231.4508 2195.5804 0.0000 0.0000 52168.6447 -109719.0195 299.8139 -161887.6642 -109353.5229 298.9137 -224.9107 -199.3706 761039.8279 -5.7421 -5.8465 PRESSURE: 3038000 -285.65 -218.334 229.767 -218.333 -230.716 -36.0048 229.767 -36.0048 168.634 GPRESSURE: 3038000 -256.1 -209.392 249.817 -146.269 -217.976 -91.4776 271.074 34.6355 202.024 PRESSAVG: 3038000 14.2445 14.6845 17.9718 14.6845 -3.91601 26.8475 17.9717 26.8475 -0.147225 GPRESSAVG: 3038000 14.271 15.2332 17.5459 15.565 -3.68096 26.2448 15.9318 27.5109 -0.746314 TIMING: 3038000 CPU: 9600.72, 0.003156/step Wall: 9600.72, 0.003156/step, 1.72002 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3038000 3969.6799 20484.0438 14401.5065 240.7937 -203208.0201 2087.5346 0.0000 0.0000 52325.5147 -109698.9470 300.7155 -162024.4617 -109325.9254 298.6828 -115.9108 -90.6838 760383.3839 3.3938 3.2812 PRESSURE: 3038200 -158.74 143.831 -27.5094 143.83 -279.297 245.472 -27.509 245.47 -187.336 GPRESSURE: 3038200 -218.513 20.3555 -101.512 169.802 -185.238 171.096 124.483 128.809 -144.398 PRESSAVG: 3038200 8.43978 0.298577 28.5254 0.298518 -14.9062 14.2291 28.5254 14.2291 -12.4648 GPRESSAVG: 3038200 8.07292 0.939782 29.0674 -1.14438 -15.2111 14.8218 29.6532 12.023 -12.0109 TIMING: 3038200 CPU: 9601.35, 0.00314673/step Wall: 9601.35, 0.00314673/step, 1.71479 hours remaining, 239.328125 MB of memory in use. ENERGY: 3038200 3944.2689 20435.8559 14446.2252 244.9511 -203185.5536 2085.2178 0.0000 0.0000 52162.5008 -109866.5338 299.7786 -162029.0346 -109506.9752 298.8875 -208.4578 -182.7161 761560.9568 -6.3104 -6.3830 PRESSURE: 3038400 175.457 -264.288 -58.3366 -264.288 156.512 -360.402 -58.3362 -360.402 -119.754 GPRESSURE: 3038400 249.161 -160.659 -114.252 -257.257 169.982 -409.106 -60.6049 -238.575 -105.683 PRESSAVG: 3038400 7.93075 -11.1733 -41.5892 -11.1733 -4.06059 2.68388 -41.5892 2.68384 -3.28581 GPRESSAVG: 3038400 8.75015 -11.8161 -42.9062 -8.90325 -5.48987 4.03131 -40.3136 2.29164 -3.05596 TIMING: 3038400 CPU: 9601.98, 0.00315261/step Wall: 9601.98, 0.00315261/step, 1.71782 hours remaining, 239.328125 MB of memory in use. ENERGY: 3038400 3994.7581 20614.3117 14466.9424 233.4548 -203540.0432 2426.2163 0.0000 0.0000 51967.1366 -109837.2232 298.6558 -161804.3599 -109488.6053 298.6865 70.7384 104.4864 760969.5500 0.1948 0.0681 PRESSURE: 3038600 81.8318 -11.756 49.3275 -11.7567 -287.04 24.5562 49.3285 24.5562 -45.0245 GPRESSURE: 3038600 49.344 4.46283 49.8527 -113.545 -184.721 84.3533 80.3916 -30.1357 -23.7002 PRESSAVG: 3038600 44.1939 -50.9475 -29.6793 -50.9476 -25.6105 2.58595 -29.6793 2.58597 -6.89819 GPRESSAVG: 3038600 43.6857 -51.414 -29.4099 -51.9388 -25.8632 1.29882 -31.1427 2.51421 -6.71965 TIMING: 3038600 CPU: 9602.61, 0.00315969/step Wall: 9602.61, 0.00315969/step, 1.72151 hours remaining, 239.328125 MB of memory in use. ENERGY: 3038600 3997.2908 20536.6471 14389.6926 255.8517 -203592.8132 2682.3880 0.0000 0.0000 52211.2272 -109519.7158 300.0586 -161730.9430 -109160.5893 299.6204 -83.4109 -53.0257 762275.1459 3.8951 3.7010 PRESSURE: 3038800 411.718 -121.354 -148.992 -121.354 295.457 110.891 -148.992 110.891 72.6091 GPRESSURE: 3038800 464.672 -94.628 -123.699 -217.568 317.545 42.7024 -182.985 188.458 71.9353 PRESSAVG: 3038800 79.4832 -11.1866 -78.0228 -11.1866 -59.9421 5.29118 -78.0228 5.2911 -3.29165 GPRESSAVG: 3038800 78.5559 -9.15677 -77.2562 -12.7635 -58.1632 5.68738 -78.4684 5.69587 -4.06437 TIMING: 3038800 CPU: 9603.24, 0.0031779/step Wall: 9603.24, 0.00317789/step, 1.73125 hours remaining, 239.328125 MB of memory in use. ENERGY: 3038800 3950.1452 20552.8201 14401.3949 259.0037 -203577.7245 2753.6766 0.0000 0.0000 51961.0994 -109699.5847 298.6212 -161660.6841 -109337.4866 299.5878 259.9280 284.7174 760263.4346 5.4165 5.4428 PRESSURE: 3039000 -168.821 60.1288 8.48099 60.1289 -88.1049 -244.723 8.48066 -244.723 -36.731 GPRESSURE: 3039000 -112.168 143.251 -48.0473 53.0496 -12.2255 -207.143 25.2913 -273.076 -78.3339 PRESSAVG: 3039000 34.8285 -42.3458 -70.5038 -42.3458 -54.8719 -63.2039 -70.5038 -63.2039 -6.66031 GPRESSAVG: 3039000 35.6357 -44.3816 -70.4084 -39.8839 -55.3387 -62.3865 -70.6625 -63.2525 -7.09046 TIMING: 3039000 CPU: 9603.88, 0.00316791/step Wall: 9603.88, 0.00316791/step, 1.72563 hours remaining, 239.328125 MB of memory in use. ENERGY: 3039000 4004.2689 20449.0594 14396.7980 224.2030 -203322.8650 2664.8554 0.0000 0.0000 51815.9461 -109767.7342 297.7870 -161583.6803 -109393.8432 298.6590 -97.8858 -67.5759 760561.2920 -8.9012 -8.9311 PRESSURE: 3039200 211.004 -150.074 23.3436 -150.074 156.457 19.8458 23.3438 19.8462 322.663 GPRESSURE: 3039200 196.664 -81.3957 40.652 -198.575 185.054 29.6289 35.7474 -70.0539 393.563 PRESSAVG: 3039200 38.5179 -60.7308 0.949615 -60.7308 -34.8904 50.1231 0.949567 50.123 16.7917 GPRESSAVG: 3039200 38.2919 -59.9964 -0.0769082 -61.8975 -36.0937 49.2842 2.54297 48.551 18.1906 TIMING: 3039200 CPU: 9604.51, 0.00316898/step Wall: 9604.51, 0.00316898/step, 1.72604 hours remaining, 239.328125 MB of memory in use. ENERGY: 3039200 3935.8151 20439.5259 14391.5264 240.6611 -203725.4165 2986.2325 0.0000 0.0000 52068.1774 -109663.4782 299.2365 -161731.6556 -109308.0851 298.7406 230.0415 258.4273 760901.7189 6.8064 6.7963 PRESSURE: 3039400 -189.335 -51.3181 -183.674 -51.3183 -155.352 150.472 -183.675 150.472 8.80008 GPRESSURE: 3039400 -165.003 -173.85 -117.364 29.9048 -111.979 90.4727 -306.086 56.8711 17.4882 PRESSAVG: 3039400 66.447 -45.8758 12.5474 -45.8758 -62.9257 -11.5346 12.5474 -11.5345 11.3244 GPRESSAVG: 3039400 66.016 -45.8726 14.5039 -44.3644 -60.9502 -12.5072 8.69955 -10.6651 10.0399 TIMING: 3039400 CPU: 9605.14, 0.00316014/step Wall: 9605.14, 0.00316014/step, 1.72105 hours remaining, 239.328125 MB of memory in use. ENERGY: 3039400 4006.6041 20498.2445 14427.5469 242.1174 -203144.2035 2372.9922 0.0000 0.0000 52077.6574 -109519.0410 299.2910 -161596.6984 -109155.6166 299.1604 -111.9620 -86.4978 759581.0904 4.9486 5.0352 PRESSURE: 3039600 14.4824 -57.4984 -111.305 -57.4992 -175.133 -101.512 -111.305 -101.513 -646.674 GPRESSURE: 3039600 34.2633 -82.0211 -53.1267 -79.9395 -98.2866 -85.9426 -112.753 -61.445 -656.628 PRESSAVG: 3039600 18.8617 16.2793 -15.8201 16.2794 -21.008 21.4609 -15.8202 21.4609 -4.28815 GPRESSAVG: 3039600 19.9529 16.19 -16.737 14.4871 -21.4769 21.6141 -13.6466 22.9151 -5.13546 TIMING: 3039600 CPU: 9605.78, 0.00317143/step Wall: 9605.78, 0.00317143/step, 1.72702 hours remaining, 239.328125 MB of memory in use. ENERGY: 3039600 4029.5434 20546.2483 14364.2227 237.6901 -203202.7718 2356.4297 0.0000 0.0000 52039.8899 -109628.7477 299.0740 -161668.6376 -109264.6569 299.3396 -269.1080 -240.2170 761543.7937 -2.1448 -2.2198 PRESSURE: 3039800 -208.35 127.495 144.723 127.496 2.39793 -110.893 144.722 -110.893 111.007 GPRESSURE: 3039800 -137.357 95.9828 149.042 127.546 -44.3262 -112.877 133.648 -131.538 175.37 PRESSAVG: 3039800 -26.5279 -10.9032 21.7331 -10.9032 -29.8134 -5.81801 21.733 -5.81802 -21.1874 GPRESSAVG: 3039800 -27.6099 -9.9893 21.7331 -10.2249 -28.6862 -3.59891 21.2229 -5.69207 -20.3966 TIMING: 3039800 CPU: 9606.41, 0.00315098/step Wall: 9606.41, 0.00315098/step, 1.71571 hours remaining, 239.328125 MB of memory in use. ENERGY: 3039800 3989.9379 20529.3659 14385.2806 253.7916 -203474.0674 2562.4444 0.0000 0.0000 52065.8665 -109687.3805 299.2233 -161753.2470 -109318.4535 298.8504 -31.6486 -2.1044 761265.6739 -25.8429 -25.5642 PRESSURE: 3040000 252.532 -145.257 -113.389 -145.257 28.769 -3.7191 -113.39 -3.71936 97.8067 GPRESSURE: 3040000 341.448 -57.4319 -31.9589 -7.6523 5.57997 -98.6097 -261.346 49.5168 103.902 PRESSAVG: 3040000 15.8943 -7.22339 4.64506 -7.22335 -46.9215 4.10909 4.64501 4.10904 18.9069 GPRESSAVG: 3040000 16.0075 -7.92663 4.58061 -6.06401 -47.4287 3.77065 3.63691 2.12143 19.2289 TIMING: 3040000 CPU: 9607.04, 0.0031477/step Wall: 9607.04, 0.0031477/step, 1.71375 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3040000 3967.3862 20587.2390 14381.1868 262.2699 -203525.4814 2701.6473 0.0000 0.0000 51959.6200 -109666.1322 298.6127 -161625.7522 -109299.9418 298.7801 126.3693 150.3103 761531.8485 -4.0401 -4.0641 PRESSURE: 3040200 -15.631 -44.8355 -5.69346 -44.8363 -202.999 171.129 -5.69397 171.129 349.309 GPRESSURE: 3040200 66.0798 -76.6878 38.5274 -165.458 -193.925 238.274 -97.6592 204.436 340.723 PRESSAVG: 3040200 10.798 -34.9486 8.58775 -34.9486 1.64313 28.8281 8.58775 28.8281 16.9095 GPRESSAVG: 3040200 11.4342 -35.5852 9.62065 -36.1787 1.42711 28.3234 8.54537 29.1096 16.1494 TIMING: 3040200 CPU: 9607.67, 0.00315247/step Wall: 9607.67, 0.00315247/step, 1.71617 hours remaining, 239.328125 MB of memory in use. ENERGY: 3040200 3939.0718 20476.9561 14481.9271 257.1079 -203080.5436 2500.6707 0.0000 0.0000 51954.0200 -109470.7900 298.5805 -161424.8101 -109112.6921 299.0907 43.5595 70.9592 761506.6126 9.7836 9.6702 LDB: ============= START OF LOAD BALANCING ============== 9620.07 LDB: ============== END OF LOAD BALANCING =============== 9620.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9620.07 LDB: ============= START OF LOAD BALANCING ============== 9620.39 LDB: Largest compute 7058 load 0.033908 is 17.3% of average load 0.196133 LDB: Average compute 0.004378 is 2.2% of average load 0.196133 LDB: TIME 9620.39 LOAD: AVG 0.196133 MAX 0.21503 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 9620.39 LOAD: AVG 0.196133 MAX 0.21503 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 9620.39 LOAD: AVG 0.196133 MAX 0.21503 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 9620.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9620.4 PRESSURE: 3040400 299.723 38.2989 -12.8632 38.2987 -189.141 -222.332 -12.8634 -222.332 -199.522 GPRESSURE: 3040400 293.923 27.3606 -73.1126 12.6727 -119.682 -307.018 -16.6008 -128.176 -145.033 PRESSAVG: 3040400 14.9294 -9.44633 0.977454 -9.44635 12.8328 30.6896 0.977466 30.6896 -6.03482 GPRESSAVG: 3040400 13.5478 -10.2162 -0.285965 -10.4109 13.1463 30.5375 3.08367 32.7802 -4.32134 TIMING: 3040400 CPU: 9608.32, 0.0032377/step Wall: 9608.32, 0.0032377/step, 1.76239 hours remaining, 238.152344 MB of memory in use. ENERGY: 3040400 4077.7761 20513.0170 14391.6658 246.1176 -203439.5333 2557.3434 0.0000 0.0000 52223.8707 -109429.7427 300.1313 -161653.6134 -109056.9360 300.1862 -29.6465 9.7361 760113.0537 7.2424 7.4576 PRESSURE: 3040600 236.179 169.486 -117.805 169.487 -214.446 175.48 -117.806 175.481 145.753 GPRESSURE: 3040600 299.316 286.433 -154.914 7.45764 -161.614 200.409 -112.993 -24.8949 124.647 PRESSAVG: 3040600 20.5982 43.6711 5.61408 43.6711 -6.66327 -2.66886 5.614 -2.66891 43.3425 GPRESSAVG: 3040600 22.5095 44.9023 4.68344 45.5423 -7.86343 -2.819 5.73029 -4.89708 42.4194 TIMING: 3040600 CPU: 9608.95, 0.00315574/step Wall: 9608.95, 0.00315574/step, 1.7176 hours remaining, 238.355469 MB of memory in use. ENERGY: 3040600 4010.1237 20523.1083 14341.5484 246.7107 -203644.6644 2954.9354 0.0000 0.0000 51988.1598 -109580.0782 298.7767 -161568.2380 -109227.0799 299.4829 55.8287 87.4497 760906.1817 19.0925 19.0218 PRESSURE: 3040800 -560.15 270.798 -4.83087 270.798 -609.203 -226.251 -4.83118 -226.25 -184.551 GPRESSURE: 3040800 -495.269 180.02 6.38245 263.143 -479.934 -144.851 -128.853 -126.616 -292.874 PRESSAVG: 3040800 14.7604 -25.6499 -35.2851 -25.6499 -40.2177 9.9692 -35.2852 9.96917 -0.486518 GPRESSAVG: 3040800 13.3024 -27.7447 -33.1678 -26.0665 -39.1196 10.2671 -36.4681 10.8801 0.293992 TIMING: 3040800 CPU: 9609.58, 0.00317249/step Wall: 9609.58, 0.00317249/step, 1.72654 hours remaining, 238.355469 MB of memory in use. ENERGY: 3040800 4041.8906 20504.9594 14357.8417 253.0093 -202959.1106 1902.5968 0.0000 0.0000 52165.1740 -109733.6388 299.7940 -161898.8128 -109368.3119 299.2783 -451.3014 -422.6921 761534.9058 -8.6479 -8.5077 PRESSURE: 3041000 -380.243 11.8345 -210.09 11.834 -24.4125 -28.5041 -210.09 -28.5036 -21.9874 GPRESSURE: 3041000 -304.055 -28.7467 -221.542 20.6126 -32.7317 -49.1865 -177.867 -55.7884 -23.687 PRESSAVG: 3041000 12.4288 -17.8317 -21.9273 -17.8316 -28.5921 19.0036 -21.9273 19.0036 -6.82394 GPRESSAVG: 3041000 14.9432 -14.4695 -23.4246 -19.2643 -29.946 19.516 -20.5118 20.7903 -7.9013 TIMING: 3041000 CPU: 9610.21, 0.00316328/step Wall: 9610.21, 0.00316328/step, 1.72135 hours remaining, 238.355469 MB of memory in use. ENERGY: 3041000 3981.6767 20662.5028 14303.5864 251.8593 -203054.8816 2186.8357 0.0000 0.0000 51823.9783 -109844.4424 297.8331 -161668.4207 -109494.5703 298.8170 -142.2143 -120.1579 760270.2095 -7.6624 -7.6347 PRESSURE: 3041200 186.192 -44.7481 55.5166 -44.7492 -81.7703 -101.895 55.5172 -101.896 -16.7725 GPRESSURE: 3041200 176.197 -121.745 50.2675 -8.42153 -56.1273 -166.108 67.3076 3.14599 45.6294 PRESSAVG: 3041200 13.6268 -1.8744 32.8651 -1.87438 22.911 -8.46622 32.8651 -8.46618 0.226232 GPRESSAVG: 3041200 11.2217 -3.95563 33.6397 -0.0721845 25.0408 -8.86927 29.5324 -9.92379 0.656261 TIMING: 3041200 CPU: 9610.85, 0.00316367/step Wall: 9610.85, 0.00316367/step, 1.72139 hours remaining, 238.355469 MB of memory in use. ENERGY: 3041200 3935.8734 20731.7350 14386.3446 227.7281 -203224.7750 2258.1506 0.0000 0.0000 51903.8968 -109781.0464 298.2924 -161684.9432 -109420.1948 298.7690 29.2163 55.2331 758587.2386 12.2547 12.3063 PRESSURE: 3041400 -169.348 -5.10392 -94.5778 -5.10316 219.52 153.5 -94.5775 153.499 357.566 GPRESSURE: 3041400 -127.364 40.0698 -26.3263 118.555 197.881 26.1066 47.8681 140.987 428.217 PRESSAVG: 3041400 -15.9368 34.6281 14.7127 34.6282 -3.65703 16.641 14.7126 16.641 3.23288 GPRESSAVG: 3041400 -14.2297 38.292 14.459 34.3978 -4.34664 16.0228 18.3291 16.4715 2.58591 TIMING: 3041400 CPU: 9611.48, 0.00316048/step Wall: 9611.48, 0.00316048/step, 1.71947 hours remaining, 238.355469 MB of memory in use. ENERGY: 3041400 3961.9923 20476.2848 14410.6750 248.5838 -203432.3785 2694.7101 0.0000 0.0000 52083.6308 -109556.5016 299.3253 -161640.1325 -109187.9970 298.9677 135.9124 166.2445 759504.5316 -5.4536 -5.3301 PRESSURE: 3041600 18.5442 126.351 -188.875 126.351 -379.145 -22.9265 -188.876 -22.9261 -80.8734 GPRESSURE: 3041600 14.7344 108.024 -191.747 82.4649 -234.097 -40.8372 -114.246 36.8609 -133.909 PRESSAVG: 3041600 -8.67115 26.5732 -3.08733 26.5732 3.702 14.1288 -3.08735 14.1289 -20.9081 GPRESSAVG: 3041600 -8.32968 24.4567 -3.18819 25.3246 3.40399 15.1391 -2.73557 14.4744 -20.649 TIMING: 3041600 CPU: 9612.11, 0.00316763/step Wall: 9612.11, 0.00316763/step, 1.72319 hours remaining, 238.355469 MB of memory in use. ENERGY: 3041600 3954.5416 20558.0695 14389.6974 286.3979 -203533.0547 2374.8360 0.0000 0.0000 52179.2029 -109790.3094 299.8746 -161969.5124 -109423.4173 299.0103 -147.1581 -117.7572 760504.4744 -8.6257 -8.5249 PRESSURE: 3041800 -119.426 18.6595 1.37784 18.6598 -64.5086 4.41942 1.37802 4.41867 400.464 GPRESSURE: 3041800 -108.682 -10.8507 43.9968 77.8492 25.7676 -83.1334 -84.0359 59.6192 385.763 PRESSAVG: 3041800 68.7281 45.9959 -5.56248 45.9959 -46.6744 2.40417 -5.56242 2.40417 1.23037 GPRESSAVG: 3041800 68.0418 44.3911 -5.6081 47.1884 -46.4346 2.25727 -5.66022 3.18071 1.57203 TIMING: 3041800 CPU: 9612.74, 0.00315032/step Wall: 9612.74, 0.00315032/step, 1.7136 hours remaining, 238.355469 MB of memory in use. ENERGY: 3041800 3983.0266 20483.3915 14367.4847 254.7279 -203183.0792 2346.7911 0.0000 0.0000 51915.5694 -109832.0879 298.3595 -161747.6573 -109468.7173 298.7581 72.1765 100.9496 759933.1505 7.7613 7.7264 PRESSURE: 3042000 -74.4144 -80.1687 85.3187 -80.1679 31.9003 181.628 85.3192 181.628 -335.196 GPRESSURE: 3042000 -7.77819 -0.993594 111.129 39.3865 60.8569 207.634 75.9313 8.49182 -352.295 PRESSAVG: 3042000 50.7945 17.0165 6.39955 17.0164 -77.1214 23.7485 6.39955 23.7484 21.0567 GPRESSAVG: 3042000 49.9192 18.4029 5.76586 15.1382 -76.0296 23.29 6.21717 22.4082 20.3847 TIMING: 3042000 CPU: 9613.37, 0.00314727/step Wall: 9613.37, 0.00314727/step, 1.71177 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3042000 3999.4707 20672.6615 14468.7298 243.9124 -203374.4360 2369.0898 0.0000 0.0000 52050.6719 -109569.9000 299.1359 -161620.5718 -109213.3217 299.2016 -125.9033 -99.7388 760578.0817 -1.7567 -1.9086 PRESSURE: 3042200 -220.851 -156.639 -8.73902 -156.639 -267.494 172.588 -8.73812 172.587 -106.639 GPRESSURE: 3042200 -168.941 -112.045 -34.7236 -134.91 -187.545 189.899 94.5674 177.854 -148.217 PRESSAVG: 3042200 8.45912 -4.7246 32.4293 -4.72454 -7.72883 22.1001 32.4293 22.1001 -6.49477 GPRESSAVG: 3042200 9.89894 -4.82938 31.3655 -3.82235 -8.11369 21.9573 33.5528 22.7513 -7.47003 TIMING: 3042200 CPU: 9614, 0.00315646/step Wall: 9614, 0.00315646/step, 1.71659 hours remaining, 238.355469 MB of memory in use. ENERGY: 3042200 3989.1950 20554.8711 14452.2819 256.2071 -203247.9093 2457.9724 0.0000 0.0000 52267.9593 -109269.4224 300.3847 -161537.3817 -108913.2939 299.6040 -198.3281 -168.2343 761326.5442 -1.9215 -1.8949 PRESSURE: 3042400 133.162 -95.8474 45.9098 -95.8492 65.2987 168.911 45.9094 168.913 -45.1164 GPRESSURE: 3042400 211.647 -85.2342 49.9637 -89.6515 99.535 154.272 69.6561 108.679 -53.756 PRESSAVG: 3042400 21.7382 -25.0735 -8.18155 -25.0735 32.1035 80.3435 -8.18154 80.3435 2.83853 GPRESSAVG: 3042400 21.7659 -26.841 -6.69305 -23.8505 32.1118 81.0782 -9.51368 79.1815 3.32505 TIMING: 3042400 CPU: 9614.64, 0.003176/step Wall: 9614.64, 0.00317601/step, 1.72704 hours remaining, 238.355469 MB of memory in use. ENERGY: 3042400 4030.1678 20565.7614 14391.7669 226.8803 -203152.6124 2524.6731 0.0000 0.0000 52249.1858 -109164.1771 300.2768 -161413.3629 -108805.3561 299.9131 51.1148 85.8086 759954.7064 18.8934 19.0676 PRESSURE: 3042600 -80.9392 -9.69007 -106.384 -9.68974 -134.947 -11.3194 -106.383 -11.3204 -106.373 GPRESSURE: 3042600 -13.7158 -43.484 -45.8907 44.1427 -89.9238 -13.609 -62.4581 -39.2667 -148.601 PRESSAVG: 3042600 -18.9788 -5.77759 -24.0375 -5.77757 -1.38136 42.1248 -24.0375 42.1248 0.618001 GPRESSAVG: 3042600 -19.8336 -5.10981 -24.4876 -6.44858 -1.24608 40.808 -24.6386 44.5425 0.825769 TIMING: 3042600 CPU: 9615.27, 0.0031728/step Wall: 9615.27, 0.0031728/step, 1.72512 hours remaining, 238.355469 MB of memory in use. ENERGY: 3042600 3894.8437 20491.5015 14379.5962 246.2659 -202798.7524 2363.8968 0.0000 0.0000 52148.1271 -109274.5212 299.6960 -161422.6483 -108910.7586 299.9348 -107.4197 -84.0801 762695.7064 -6.5807 -6.7513 PRESSURE: 3042800 -73.5148 334.407 -205.707 334.406 -65.0513 -45.6534 -205.708 -45.6529 -54.8839 GPRESSURE: 3042800 -27.6282 376.815 -310.567 202.728 5.45685 -94.8 -245.875 37.5182 -89.332 PRESSAVG: 3042800 66.0394 -5.59439 -29.1939 -5.59429 -32.5945 71.0133 -29.1939 71.0132 6.19581 GPRESSAVG: 3042800 66.318 -4.94704 -28.9372 -7.42847 -32.5499 69.7183 -28.8011 69.2108 6.31616 TIMING: 3042800 CPU: 9615.9, 0.00315621/step Wall: 9615.9, 0.00315621/step, 1.71592 hours remaining, 238.355469 MB of memory in use. ENERGY: 3042800 3971.0011 20451.6360 14375.4315 248.3315 -203090.0163 2756.1766 0.0000 0.0000 52012.2702 -109275.1696 298.9152 -161287.4397 -108912.4907 299.6997 -64.4833 -37.1678 762339.7387 13.2135 13.3614 PRESSURE: 3043000 -16.54 59.5857 -2.06913 59.5853 -185.072 -20.4962 -2.06957 -20.4954 -344.523 GPRESSURE: 3043000 -106.796 27.1958 -23.1961 0.155474 -92.1071 57.6295 84.2902 -149.424 -258.536 PRESSAVG: 3043000 14.0541 -17.2953 -65.4815 -17.2954 -8.08775 73.7251 -65.4815 73.7251 -4.26524 GPRESSAVG: 3043000 13.5088 -17.2838 -64.9696 -15.0266 -7.99847 75.3431 -66.0635 72.2751 -3.63097 TIMING: 3043000 CPU: 9616.53, 0.00314013/step Wall: 9616.53, 0.00314013/step, 1.70701 hours remaining, 238.355469 MB of memory in use. ENERGY: 3043000 3967.4504 20658.3703 14351.8785 257.6249 -202854.0998 2466.1305 0.0000 0.0000 52093.7751 -109058.8701 299.3836 -161152.6451 -108701.8564 300.0845 -182.0449 -152.4795 762377.1098 0.5670 0.6264 PRESSURE: 3043200 -125.055 -120.845 -208.288 -120.845 -8.05081 60.402 -208.288 60.4013 321.539 GPRESSURE: 3043200 -110.379 -57.474 -302.949 -98.9725 85.4681 2.46665 -164.937 38.8888 323.321 PRESSAVG: 3043200 -25.9244 -13.8208 -36.3608 -13.8208 4.5321 -1.63262 -36.3608 -1.63261 20.5837 GPRESSAVG: 3043200 -24.9704 -12.9978 -37.8015 -14.3795 4.57027 -1.88287 -36.0301 -1.35208 20.0279 TIMING: 3043200 CPU: 9617.16, 0.00313823/step Wall: 9617.16, 0.00313822/step, 1.7058 hours remaining, 238.355469 MB of memory in use. ENERGY: 3043200 3929.4422 20572.2405 14402.8432 253.6892 -202700.7760 2275.4904 0.0000 0.0000 52215.0383 -109052.0322 300.0805 -161267.0705 -108684.3732 300.1191 62.8112 99.4703 761281.7109 -0.2695 -0.1241 PRESSURE: 3043400 422.863 3.85756 -224.637 3.85643 6.0947 -84.5342 -224.636 -84.535 127.684 GPRESSURE: 3043400 482.814 -1.46492 -201.95 83.4575 55.0982 -177.82 -213.899 -77.9893 94.0238 PRESSAVG: 3043400 -37.6249 8.05535 -63.0551 8.05531 21.5046 30.4205 -63.0551 30.4205 12.4189 GPRESSAVG: 3043400 -36.8877 5.73708 -62.77 9.66888 21.2314 29.5796 -62.3864 33.0007 12.4455 TIMING: 3043400 CPU: 9617.79, 0.003128/step Wall: 9617.79, 0.003128/step, 1.70007 hours remaining, 238.355469 MB of memory in use. ENERGY: 3043400 4044.7706 20672.3660 14357.0976 256.9684 -203151.2976 2716.4291 0.0000 0.0000 52392.1540 -108711.5118 301.0984 -161103.6658 -108351.2898 300.7640 185.5471 210.6453 760780.2067 -1.2338 -1.0703 PRESSURE: 3043600 -284.421 151.723 -184.562 151.724 -339.02 -23.7159 -184.562 -23.7155 62.4486 GPRESSURE: 3043600 -274.198 189.597 -278.67 29.7675 -323.167 -75.3743 -317.367 60.447 119.139 PRESSAVG: 3043600 -9.82306 -9.0012 -50.9982 -9.00115 32.8849 69.4037 -50.9982 69.4036 -9.75573 GPRESSAVG: 3043600 -10.5854 -7.06673 -50.1554 -11.4153 33.3715 71.0344 -52.5745 67.2861 -9.55831 TIMING: 3043600 CPU: 9618.42, 0.00315181/step Wall: 9618.42, 0.00315181/step, 1.71283 hours remaining, 238.355469 MB of memory in use. ENERGY: 3043600 3994.0240 20528.1345 14404.1378 243.3992 -202455.3091 2122.4770 0.0000 0.0000 52342.5124 -108820.6242 300.8131 -161163.1367 -108464.7206 300.7240 -186.9976 -159.4087 761145.2306 4.4354 4.4093 PRESSURE: 3043800 74.05 -139.142 -204.013 -139.142 74.3548 -108.528 -204.014 -108.528 -60.6971 GPRESSURE: 3043800 149.405 -56.3122 -238.682 -214.449 78.7685 -115.793 -67.8822 -15.5734 -37.527 PRESSAVG: 3043800 -14.4289 9.11571 -10.5451 9.11561 -18.485 -9.88683 -10.5452 -9.88687 -10.7459 GPRESSAVG: 3043800 -14.1749 10.5046 -10.3009 9.8059 -19.1374 -10.0514 -11.6955 -8.68489 -9.97679 TIMING: 3043800 CPU: 9619.05, 0.00315145/step Wall: 9619.05, 0.00315145/step, 1.71246 hours remaining, 238.355469 MB of memory in use. ENERGY: 3043800 3971.4546 20485.2247 14399.8370 232.4207 -203037.5469 2546.1114 0.0000 0.0000 52292.7921 -109109.7065 300.5274 -161402.4985 -108734.5293 300.3269 29.2359 63.5488 761630.9000 -14.5533 -14.4297 PRESSURE: 3044000 202.792 -127.647 -274.195 -127.648 -374.548 108.897 -274.195 108.896 -79.2555 GPRESSURE: 3044000 144.332 -34.3339 -227.831 -191.194 -285.71 134.487 -212.653 41.5355 -54.7955 PRESSAVG: 3044000 -16.3637 37.344 -7.00392 37.344 5.68101 41.4113 -7.00388 41.4113 -15.8214 GPRESSAVG: 3044000 -16.7964 36.5109 -7.33893 37.0473 6.47189 40.9004 -4.72279 39.4881 -16.4188 TIMING: 3044000 CPU: 9619.68, 0.00314844/step Wall: 9619.68, 0.00314844/step, 1.71065 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3044000 3934.2525 20495.3370 14340.9450 262.7373 -202946.2463 2400.5287 0.0000 0.0000 52507.1178 -109005.3281 301.7591 -161512.4459 -108639.6042 300.6409 -83.6703 -65.3913 761245.6334 -8.8347 -8.9144 PRESSURE: 3044200 -247.457 -165.37 -51.5025 -165.371 -81.7534 -48.6186 -51.5029 -48.6203 -52.0909 GPRESSURE: 3044200 -218.826 -191.667 -90.5211 -167.55 -82.3727 -41.7697 -35.7303 -117.978 -6.2045 PRESSAVG: 3044200 63.5878 -36.8381 -52.4029 -36.838 -30.9233 22.4583 -52.4029 22.4584 9.54185 GPRESSAVG: 3044200 62.5948 -36.6893 -51.6826 -36.4322 -29.9309 22.9496 -52.4476 24.3538 9.56808 TIMING: 3044200 CPU: 9620.31, 0.00315302/step Wall: 9620.31, 0.00315302/step, 1.71297 hours remaining, 238.355469 MB of memory in use. ENERGY: 3044200 3911.4832 20523.3068 14386.0185 244.8420 -203217.7141 2386.9594 0.0000 0.0000 52446.9192 -109318.1850 301.4132 -161765.1042 -108945.4470 300.4747 -127.1006 -102.4678 761435.4402 14.0688 14.0773 LDB: ============= START OF LOAD BALANCING ============== 9632.7 LDB: ============== END OF LOAD BALANCING =============== 9632.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9632.71 LDB: ============= START OF LOAD BALANCING ============== 9633.02 LDB: Largest compute 7031 load 0.031278 is 15.9% of average load 0.196135 LDB: Average compute 0.004384 is 2.2% of average load 0.196135 LDB: TIME 9633.03 LOAD: AVG 0.196135 MAX 0.214741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 9633.03 LOAD: AVG 0.196135 MAX 0.214741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.664 MB LDB: TIME 9633.03 LOAD: AVG 0.196135 MAX 0.214741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.664 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9633.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9633.04 PRESSURE: 3044400 -482.845 119.407 2.68859 119.406 -329.544 32.5541 2.68844 32.5546 -64.9792 GPRESSURE: 3044400 -400.071 46.9296 49.8952 179.319 -310.536 -23.6826 -109.655 -8.7437 -94.5623 PRESSAVG: 3044400 -3.0872 -33.9691 2.29434 -33.969 7.43333 -33.9042 2.29431 -33.9042 -19.5969 GPRESSAVG: 3044400 -1.4701 -33.9706 0.744706 -34.6048 6.04596 -34.1037 2.09204 -36.2682 -19.4282 TIMING: 3044400 CPU: 9620.95, 0.00323014/step Wall: 9620.95, 0.00323014/step, 1.75468 hours remaining, 237.699219 MB of memory in use. ENERGY: 3044400 4001.0122 20490.3787 14365.5283 253.5226 -203065.0160 2297.8501 0.0000 0.0000 52485.0145 -109171.7096 301.6321 -161656.7241 -108804.6867 299.7960 -292.4559 -268.3899 761863.8843 -5.0836 -4.9508 PRESSURE: 3044600 -139.792 134.884 126.702 134.883 -75.865 -105.413 126.702 -105.413 -574.657 GPRESSURE: 3044600 -191.982 84.1865 181.905 110.017 -58.2469 -133.253 155.538 -75.3574 -462.951 PRESSAVG: 3044600 -9.11243 16.8032 18.5771 16.8031 16.9879 -9.49256 18.5771 -9.49254 2.92439 GPRESSAVG: 3044600 -11.4814 14.722 21.327 15.9531 18.1104 -10.0565 16.7463 -7.31206 3.71205 TIMING: 3044600 CPU: 9621.58, 0.00314893/step Wall: 9621.58, 0.00314893/step, 1.71039 hours remaining, 237.699219 MB of memory in use. ENERGY: 3044600 4056.1154 20557.7467 14383.9722 234.4832 -203369.9448 2581.1034 0.0000 0.0000 52279.8516 -109276.6723 300.4530 -161556.5239 -108914.4294 300.1009 -263.4382 -237.7265 761168.7108 3.5999 3.4470 PRESSURE: 3044800 -49.8834 -112.366 69.6395 -112.366 -334.408 -63.1542 69.6389 -63.1536 86.669 GPRESSURE: 3044800 -2.26757 -95.3233 51.6234 -110.613 -275.638 6.92804 25.5273 5.5621 52.3291 PRESSAVG: 3044800 38.9105 -30.809 19.1996 -30.8089 14.1706 -52.7259 19.1995 -52.7259 8.19655 GPRESSAVG: 3044800 40.9732 -31.7504 16.4668 -29.9956 12.6342 -51.979 21.0537 -54.7218 8.13727 TIMING: 3044800 CPU: 9622.21, 0.00314833/step Wall: 9622.21, 0.00314833/step, 1.70989 hours remaining, 237.699219 MB of memory in use. ENERGY: 3044800 3946.4146 20590.0399 14380.2867 246.6764 -203295.1529 2490.3642 0.0000 0.0000 52208.1415 -109433.2296 300.0409 -161641.3711 -109068.1280 299.6908 -99.2075 -75.1923 761482.5067 20.4259 20.5816 PRESSURE: 3045000 280.391 -118.569 -86.0166 -118.568 99.1423 -87.8058 -86.0165 -87.806 87.1484 GPRESSURE: 3045000 324.912 -95.3373 -126.176 -63.0837 95.8924 -171.98 -76.3255 -45.1727 127.341 PRESSAVG: 3045000 -22.9404 5.13501 -1.55045 5.13495 -11.7779 -48.6675 -1.55047 -48.6674 2.01523 GPRESSAVG: 3045000 -23.9993 8.10276 -0.688006 5.60214 -10.5377 -48.9415 -2.75419 -45.519 1.77584 TIMING: 3045000 CPU: 9622.85, 0.00318165/step Wall: 9622.85, 0.00318165/step, 1.72781 hours remaining, 237.699219 MB of memory in use. ENERGY: 3045000 3930.4802 20529.1292 14407.8566 248.6798 -203856.2902 2709.7426 0.0000 0.0000 52389.9354 -109640.4664 301.0857 -162030.4018 -109280.8112 299.0046 155.5606 182.7152 760914.3980 -10.9010 -10.9204 PRESSURE: 3045200 -255.686 27.0571 -116.258 27.0574 -183.231 -47.9038 -116.258 -47.9027 -217.14 GPRESSURE: 3045200 -190.172 140.716 -119.188 -122.487 -150.05 -0.0391339 -195.796 -140.911 -228.495 PRESSAVG: 3045200 29.1636 0.523575 -18.8507 0.523629 -43.1443 34.2027 -18.8507 34.2028 -10.0618 GPRESSAVG: 3045200 30.1316 2.85425 -18.3699 -0.897535 -42.9807 35.9174 -17.8037 33.1684 -10.9016 TIMING: 3045200 CPU: 9623.48, 0.00316063/step Wall: 9623.48, 0.00316063/step, 1.71622 hours remaining, 237.699219 MB of memory in use. ENERGY: 3045200 3996.3114 20517.0597 14428.9043 234.0080 -203179.6725 2453.7522 0.0000 0.0000 52111.4983 -109438.1385 299.4855 -161549.6369 -109077.5030 299.4118 -218.6855 -189.5723 760935.6381 -8.0141 -7.9169 PRESSURE: 3045400 -372.238 15.6274 55.4257 15.6269 -177.444 145.095 55.425 145.095 -159.64 GPRESSURE: 3045400 -239.081 1.13826 -30.8996 -61.5031 -161.418 103.187 -56.1724 103.757 -227.039 PRESSAVG: 3045400 10.5256 -82.3009 -71.145 -82.3008 8.23339 -54.838 -71.145 -54.838 0.723992 GPRESSAVG: 3045400 10.5209 -85.4847 -72.7973 -80.4995 7.98631 -57.0801 -71.9608 -56.2345 1.06819 TIMING: 3045400 CPU: 9624.11, 0.00314564/step Wall: 9624.11, 0.00314564/step, 1.70791 hours remaining, 237.699219 MB of memory in use. ENERGY: 3045400 4038.7131 20624.3415 14423.7706 247.0702 -203004.1910 2415.4804 0.0000 0.0000 51785.3263 -109469.4890 297.6110 -161254.8153 -109110.0237 299.1016 -236.4405 -209.1794 762062.0153 6.4943 6.5251 PRESSURE: 3045600 -211.093 -53.4747 -146.034 -53.4745 -30.1916 40.2672 -146.033 40.2689 -293.799 GPRESSURE: 3045600 -249.092 141.716 -150.441 -180.134 33.2029 69.5181 -158.456 -68.4647 -231.678 PRESSAVG: 3045600 -6.00515 -31.7861 -59.0003 -31.7861 2.98578 -16.4868 -59.0003 -16.4867 22.7838 GPRESSAVG: 3045600 -6.7142 -30.2604 -57.9708 -34.7674 3.93101 -15.4197 -59.7866 -18.5566 22.8734 TIMING: 3045600 CPU: 9624.74, 0.00314731/step Wall: 9624.74, 0.00314731/step, 1.70864 hours remaining, 237.699219 MB of memory in use. ENERGY: 3045600 4005.0575 20501.0212 14394.5338 234.8077 -203450.3204 2549.4756 0.0000 0.0000 52263.7288 -109501.6957 300.3604 -161765.4245 -109142.3718 299.7920 -178.3613 -149.1888 762810.3639 6.5881 6.6968 PRESSURE: 3045800 97.7578 113.121 -11.3559 113.12 -98.0192 131.393 -11.3559 131.394 -199.874 GPRESSURE: 3045800 83.0833 159.507 38.8444 -16.528 -45.5592 75.9081 -129.391 157.808 -141.906 PRESSAVG: 3045800 60.139 -22.0198 -19.1084 -22.0199 17.1449 -4.054 -19.1084 -4.05398 -32.9631 GPRESSAVG: 3045800 60.982 -22.2114 -18.8797 -21.1436 15.976 -2.75678 -20.0594 -2.63603 -31.9196 TIMING: 3045800 CPU: 9625.37, 0.00316208/step Wall: 9625.37, 0.00316208/step, 1.71648 hours remaining, 237.699219 MB of memory in use. ENERGY: 3045800 3941.1203 20408.9773 14431.9364 245.5182 -203358.2485 2506.5425 0.0000 0.0000 52093.0412 -109731.1127 299.3794 -161824.1539 -109362.2146 299.3560 -66.7117 -34.7938 760528.2204 14.7736 15.0128 PRESSURE: 3046000 -17.4084 -151.63 2.56035 -151.631 48.0569 26.1308 2.56114 26.1306 426.281 GPRESSURE: 3046000 11.8528 -82.1047 22.1582 -126.076 143.278 77.9046 -2.97099 -70.8451 377.202 PRESSAVG: 3046000 13.2187 -30.2199 -10.5647 -30.2199 -8.77281 -20.2906 -10.5647 -20.2906 10.7249 GPRESSAVG: 3046000 13.6855 -30.5759 -11.7104 -28.9749 -8.60572 -22.1601 -9.11759 -19.339 10.1187 TIMING: 3046000 CPU: 9626, 0.0031547/step Wall: 9626, 0.0031547/step, 1.7123 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3046000 3943.0622 20638.2686 14380.8743 248.7633 -203514.6249 2609.5405 0.0000 0.0000 52032.0608 -109662.0552 299.0290 -161694.1160 -109308.7003 299.1622 152.3097 177.4444 759271.6134 5.0569 5.0661 PRESSURE: 3046200 119.797 -31.5456 -285.474 -31.546 60.4248 -409.739 -285.474 -409.74 -131.498 GPRESSURE: 3046200 176.564 39.0909 -282.779 40.0694 26.5652 -474.912 -336.441 -309.507 -73.0437 PRESSAVG: 3046200 37.73 -21.4276 -3.11825 -21.4276 -14.9082 -20.9171 -3.11825 -20.9171 -27.8733 GPRESSAVG: 3046200 36.4866 -22.6642 -3.14892 -21.6031 -15.0696 -19.7659 -3.60966 -22.1503 -26.4714 TIMING: 3046200 CPU: 9626.63, 0.00315566/step Wall: 9626.63, 0.00315566/step, 1.71265 hours remaining, 237.699219 MB of memory in use. ENERGY: 3046200 3984.3302 20535.6033 14400.9021 256.0575 -203341.1561 2321.1359 0.0000 0.0000 52084.1477 -109758.9795 299.3283 -161843.1271 -109399.2371 299.1233 16.2414 43.3619 759484.1142 -1.6839 -1.6848 PRESSURE: 3046400 283.464 20.0086 67.87 20.0081 -11.0161 50.6956 67.8704 50.6966 352.408 GPRESSURE: 3046400 189.935 76.9454 137.137 -16.7101 145.541 58.4354 183.843 48.0314 357.807 PRESSAVG: 3046400 20.2905 -1.3953 -2.73079 -1.39526 -23.1521 7.79893 -2.7307 7.79893 26.3606 GPRESSAVG: 3046400 22.1773 0.225913 -1.60502 -1.00166 -22.9547 7.40503 -1.48827 7.56456 24.2792 TIMING: 3046400 CPU: 9627.27, 0.00315582/step Wall: 9627.27, 0.00315582/step, 1.71256 hours remaining, 237.699219 MB of memory in use. ENERGY: 3046400 3994.2617 20472.6670 14349.0460 238.8990 -203463.5433 2527.9826 0.0000 0.0000 52314.2078 -109566.4792 300.6505 -161880.6870 -109207.1024 299.0636 208.2853 231.0944 758164.8997 7.8330 7.8340 PRESSURE: 3046600 314.152 223.433 140.692 223.433 117.999 93.5995 140.692 93.5997 669.799 GPRESSURE: 3046600 252.752 278.246 178.49 344.152 224.4 84.8788 26.3669 110.54 694.985 PRESSAVG: 3046600 -13.0466 -1.7668 -18.4463 -1.76677 -1.10479 21.0201 -18.4463 21.0202 -4.29722 GPRESSAVG: 3046600 -13.6335 -1.5692 -18.942 -3.70163 -1.18945 22.1068 -17.5407 20.5086 -3.17846 TIMING: 3046600 CPU: 9627.9, 0.00317186/step Wall: 9627.9, 0.00317186/step, 1.72108 hours remaining, 237.699219 MB of memory in use. ENERGY: 3046600 3919.1756 20440.3065 14410.5091 240.6426 -203426.0140 2665.0821 0.0000 0.0000 52102.3896 -109647.9085 299.4331 -161750.2981 -109290.0888 299.0044 367.3168 390.7124 760020.6300 -6.1495 -6.0005 PRESSURE: 3046800 -308.983 162.226 -252.793 162.226 -122.036 -281.285 -252.793 -281.284 103.113 GPRESSURE: 3046800 -282.149 302.682 -221.489 45.8146 -44.5175 -229.607 -123.329 -238.768 80.2612 PRESSAVG: 3046800 -21.4918 34.8014 10.1857 34.8013 22.9274 -32.9706 10.1857 -32.9707 -7.43006 GPRESSAVG: 3046800 -22.8388 34.1327 9.64211 33.9026 24.2357 -34.4604 10.2811 -32.7395 -7.17794 TIMING: 3046800 CPU: 9628.53, 0.00317215/step Wall: 9628.53, 0.00317215/step, 1.72107 hours remaining, 237.699219 MB of memory in use. ENERGY: 3046800 4021.3524 20432.8693 14458.5830 244.0885 -203062.9763 2192.7285 0.0000 0.0000 52051.9654 -109661.3893 299.1434 -161713.3547 -109293.0289 298.6645 -109.3021 -82.1350 760314.2092 -1.9982 -1.9270 PRESSURE: 3047000 -150.783 83.9964 138.04 83.9967 -254.496 106.878 138.04 106.877 -188.082 GPRESSURE: 3047000 -87.8663 28.6696 132.192 62.2528 -248.048 128.257 159.534 54.8808 -186.361 PRESSAVG: 3047000 -61.0911 47.0387 14.2173 47.0388 13.6297 -7.25958 14.2173 -7.25963 -16.0681 GPRESSAVG: 3047000 -59.9335 46.8586 15.7799 48.5076 12.3806 -8.01799 14.0355 -7.60629 -16.0476 TIMING: 3047000 CPU: 9629.16, 0.00314343/step Wall: 9629.16, 0.00314343/step, 1.70531 hours remaining, 237.699219 MB of memory in use. ENERGY: 3047000 3909.0540 20495.5279 14385.0869 239.6087 -203061.3382 2341.3266 0.0000 0.0000 52144.9679 -109545.7662 299.6778 -161690.7342 -109189.1293 299.0620 -197.7871 -174.0916 760761.4419 -21.1765 -21.2002 PRESSURE: 3047200 -402.191 24.9171 3.44016 24.9176 -401.777 -72.8379 3.44046 -72.8372 -294.696 GPRESSURE: 3047200 -364.989 144.425 -16.4161 14.0176 -330.825 -76.4847 40.556 -29.2475 -327.747 PRESSAVG: 3047200 30.7962 58.3311 35.2845 58.3311 -41.867 -6.18837 35.2845 -6.18845 24.6827 GPRESSAVG: 3047200 31.8597 57.6278 34.5657 57.3854 -42.0861 -4.07034 33.5777 -5.69357 24.3179 TIMING: 3047200 CPU: 9629.79, 0.0031493/step Wall: 9629.79, 0.0031493/step, 1.70832 hours remaining, 237.699219 MB of memory in use. ENERGY: 3047200 4006.5657 20595.4302 14400.7781 235.5963 -202835.4128 2198.1197 0.0000 0.0000 52060.9233 -109337.9996 299.1948 -161398.9229 -108983.4151 299.4053 -366.2213 -341.1870 762066.1187 4.5373 4.6972 PRESSURE: 3047400 212.222 -142.511 140.046 -142.511 -173.024 185.265 140.046 185.264 -117.058 GPRESSURE: 3047400 218.483 -146.215 46.819 -160.711 -81.9817 161.144 120.329 175.773 -103.372 PRESSAVG: 3047400 30.643 26.2699 58.6896 26.2699 -24.2385 24.955 58.6896 24.955 -34.4032 GPRESSAVG: 3047400 31.1381 27.4519 58.1852 25.3995 -23.4029 23.9076 60.5533 26.47 -35.0079 TIMING: 3047400 CPU: 9630.42, 0.00314471/step Wall: 9630.42, 0.00314471/step, 1.70565 hours remaining, 237.699219 MB of memory in use. ENERGY: 3047400 3954.7198 20433.7410 14411.7750 236.8034 -203025.9552 2475.8647 0.0000 0.0000 52498.2555 -109014.7959 301.7082 -161513.0513 -108649.7297 299.9956 -25.9534 11.0431 762538.9672 -9.3329 -9.0909 PRESSURE: 3047600 141.838 98.2301 5.93306 98.2307 150.481 14.2102 5.93386 14.2107 -150.572 GPRESSURE: 3047600 159.736 193.711 11.5413 -3.56497 174.273 -83.8589 -22.9787 -83.0935 -115.502 PRESSAVG: 3047600 -64.5634 49.9497 36.0315 49.9497 0.888267 67.2415 36.0315 67.2414 4.45451 GPRESSAVG: 3047600 -65.5832 50.9921 37.019 52.0576 0.274255 67.0196 34.3578 65.6395 5.66853 TIMING: 3047600 CPU: 9631.05, 0.00316028/step Wall: 9631.05, 0.00316028/step, 1.71392 hours remaining, 237.699219 MB of memory in use. ENERGY: 3047600 3910.2144 20517.7527 14406.4663 234.5249 -203384.9138 2797.8563 0.0000 0.0000 52278.7712 -109239.3280 300.4468 -161518.0992 -108873.4264 300.5137 47.2491 72.8356 760847.7092 -19.7402 -19.8801 PRESSURE: 3047800 58.1927 100.344 182.686 100.345 -424.951 69.0353 182.687 69.035 257.566 GPRESSURE: 3047800 57.7194 60.8358 160.521 104.72 -306.522 53.8509 158.56 27.8984 219.743 PRESSAVG: 3047800 11.9395 45.9049 10.3369 45.9049 -8.69043 -10.2971 10.337 -10.2972 14.4891 GPRESSAVG: 3047800 12.4004 45.759 10.4185 46.5524 -8.1146 -10.5594 11.6499 -9.9413 13.6132 TIMING: 3047800 CPU: 9631.69, 0.00318344/step Wall: 9631.69, 0.00318344/step, 1.72631 hours remaining, 237.699219 MB of memory in use. ENERGY: 3047800 3916.4590 20425.2129 14434.7828 226.5114 -203224.1791 2600.3813 0.0000 0.0000 52194.4231 -109426.4085 299.9621 -161620.8317 -109052.1118 299.9215 -36.3976 -9.6866 762149.6141 5.9127 5.9663 PRESSURE: 3048000 -104.019 -105.318 175.62 -105.319 -159.795 44.7039 175.62 44.7028 -190.386 GPRESSURE: 3048000 -100.013 -169.617 150.053 -182.35 -128.846 -1.95407 224.192 109.191 -125.192 PRESSAVG: 3048000 15.0349 22.4931 60.4036 22.4931 -31.0871 -1.18367 60.4036 -1.18368 -15.7031 GPRESSAVG: 3048000 14.3928 19.9028 60.4302 20.086 -30.7344 -0.448506 56.6643 -1.48601 -14.8451 TIMING: 3048000 CPU: 9632.32, 0.00315315/step Wall: 9632.32, 0.00315315/step, 1.70971 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3048000 4043.3396 20591.5037 14348.2922 241.2680 -203197.5899 2483.9283 0.0000 0.0000 52014.3925 -109474.8655 298.9274 -161489.2580 -109117.6401 299.2113 -151.4000 -118.0170 761482.8020 -10.5851 -10.3956 PRESSURE: 3048200 64.9833 -199.836 -75.8626 -199.837 -146.956 -134.266 -75.8621 -134.266 214.835 GPRESSURE: 3048200 83.8438 -125.192 -28.4263 -282.001 4.99494 -161.728 -148.906 -65.4206 151.68 PRESSAVG: 3048200 -9.08272 -15.4642 13.9856 -15.4642 15.0107 -37.4585 13.9855 -37.4585 16.6232 GPRESSAVG: 3048200 -8.99486 -13.1268 12.1509 -15.0015 14.6473 -38.3193 17.1933 -37.2302 16.8373 TIMING: 3048200 CPU: 9632.95, 0.00314043/step Wall: 9632.95, 0.00314043/step, 1.70263 hours remaining, 237.699219 MB of memory in use. ENERGY: 3048200 3921.6712 20781.3446 14426.8940 257.2515 -203261.2144 2357.0184 0.0000 0.0000 52093.7659 -109423.2687 299.3836 -161517.0346 -109068.2975 299.0627 44.2875 80.1730 761374.9710 7.5171 7.4966 LDB: ============= START OF LOAD BALANCING ============== 9645.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9645.35 LDB: =============== DONE WITH MIGRATION ================ 9645.35 LDB: ============= START OF LOAD BALANCING ============== 9645.66 LDB: Largest compute 7031 load 0.031937 is 16.3% of average load 0.196056 LDB: Average compute 0.004390 is 2.2% of average load 0.196056 LDB: TIME 9645.67 LOAD: AVG 0.196056 MAX 0.217933 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 9645.67 LOAD: AVG 0.196056 MAX 0.217933 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 9645.67 LOAD: AVG 0.196056 MAX 0.217933 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 9645.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9645.67 PRESSURE: 3048400 190.705 211.228 -85.5395 211.228 -34.8583 -51.7332 -85.539 -51.7331 585.803 GPRESSURE: 3048400 221.89 141.252 -104.052 126.895 12.0706 -27.0974 -54.9885 16.9719 594.398 PRESSAVG: 3048400 76.4816 -11.4442 3.36056 -11.4441 -60.5085 -4.95414 3.36054 -4.95415 8.52872 GPRESSAVG: 3048400 76.9323 -12.6054 5.74719 -11.852 -61.0534 -4.31911 3.0238 -3.25899 8.59511 TIMING: 3048400 CPU: 9633.59, 0.00321668/step Wall: 9633.59, 0.00321668/step, 1.7438 hours remaining, 238.355469 MB of memory in use. ENERGY: 3048400 3939.0476 20756.1401 14347.7079 251.7242 -203591.8023 2861.1942 0.0000 0.0000 51920.2895 -109515.6988 298.3866 -161435.9883 -109168.4934 299.1743 247.2164 276.1194 760978.5372 8.1673 8.1580 PRESSURE: 3048600 255.563 -20.1895 -149.575 -20.19 29.0144 -192.603 -149.575 -192.604 19.2909 GPRESSURE: 3048600 268.107 -36.8039 -161.651 -286.903 69.6819 -183.472 -10.9597 -269.797 37.5566 PRESSAVG: 3048600 -1.88185 -7.30433 -68.1875 -7.30427 1.00682 -9.92316 -68.1875 -9.92317 -23.2509 GPRESSAVG: 3048600 -2.53272 -9.06462 -69.8577 -7.03962 1.89071 -11.3352 -66.821 -10.8788 -24.2429 TIMING: 3048600 CPU: 9634.23, 0.00316819/step Wall: 9634.23, 0.00316819/step, 1.71733 hours remaining, 238.558594 MB of memory in use. ENERGY: 3048600 4007.2239 20645.0958 14462.8089 243.2482 -203527.1837 2582.7352 0.0000 0.0000 52110.0324 -109476.0393 299.4771 -161586.0717 -109115.7432 299.6242 101.2893 125.1151 761504.6912 -8.0420 -8.2950 PRESSURE: 3048800 170.22 -82.4745 55.4839 -82.4755 108.685 -14.2964 55.4837 -14.2953 426.065 GPRESSURE: 3048800 242.755 53.8844 21.5004 -33.0517 117.087 -0.281821 44.9407 -9.19358 434.442 PRESSAVG: 3048800 14.3814 -30.1795 26.4697 -30.1794 -4.94764 -65.4635 26.4697 -65.4636 18.2593 GPRESSAVG: 3048800 15.0113 -28.4878 26.38 -28.0955 -6.74091 -63.8761 25.3491 -67.5586 19.533 TIMING: 3048800 CPU: 9634.86, 0.00315288/step Wall: 9634.86, 0.00315288/step, 1.70886 hours remaining, 238.558594 MB of memory in use. ENERGY: 3048800 3954.4965 20559.0913 14351.7420 247.0638 -203885.8795 2834.4159 0.0000 0.0000 52204.4019 -109734.6681 300.0194 -161939.0700 -109368.6455 299.8171 234.9899 264.7611 761446.2208 9.2310 9.2678 PRESSURE: 3049000 -225.692 -62.5543 -2.64943 -62.5539 -100.785 112.524 -2.64889 112.524 34.6158 GPRESSURE: 3049000 -167.246 -41.513 -8.32434 -115.374 -26.8028 140.663 -107.052 77.4779 -11.5841 PRESSAVG: 3049000 20.7116 -36.4585 12.9261 -36.4585 -3.69276 -47.9201 12.9261 -47.9201 19.7909 GPRESSAVG: 3049000 20.0185 -35.9658 12.5033 -38.1139 -2.58411 -48.971 13.5151 -47.7296 18.9127 TIMING: 3049000 CPU: 9635.49, 0.00315986/step Wall: 9635.49, 0.00315985/step, 1.71247 hours remaining, 238.558594 MB of memory in use. ENERGY: 3049000 4026.6748 20545.6545 14431.9491 246.4720 -203589.9939 2618.6837 0.0000 0.0000 52015.5689 -109704.9910 298.9342 -161720.5599 -109339.2073 299.2500 -97.2872 -68.5443 761335.8127 12.2699 12.1157 PRESSURE: 3049200 101.324 85.7146 275.945 85.7139 17.536 71.2429 275.945 71.2432 -159.533 GPRESSURE: 3049200 110.288 31.6381 181.533 95.7409 74.4272 102.925 276.314 34.4157 -147.315 PRESSAVG: 3049200 38.7661 -57.5195 55.1744 -57.5195 -43.924 -37.6317 55.1744 -37.6317 -9.18914 GPRESSAVG: 3049200 38.4738 -59.9631 56.1267 -53.6739 -43.955 -36.1667 52.8799 -37.6983 -9.10259 TIMING: 3049200 CPU: 9636.12, 0.00317399/step Wall: 9636.12, 0.00317399/step, 1.71995 hours remaining, 238.558594 MB of memory in use. ENERGY: 3049200 4096.6936 20834.3031 14341.7590 256.4841 -203906.5726 2750.7540 0.0000 0.0000 51884.2497 -109742.3289 298.1795 -161626.5786 -109383.6337 298.8165 -13.5576 12.4669 759645.8737 -4.7824 -4.8613 PRESSURE: 3049400 -173.199 237.999 184.223 237.998 -27.88 133.579 184.222 133.58 -282.043 GPRESSURE: 3049400 -116.729 132.404 104.557 46.1484 11.8339 131.017 43.7131 271.674 -280.617 PRESSAVG: 3049400 22.873 -10.1358 19.9063 -10.1358 -17.0917 -22.8317 19.9063 -22.8317 2.29798 GPRESSAVG: 3049400 23.2539 -9.36638 20.0667 -13.7595 -16.9701 -23.1932 22.8172 -20.6633 2.08864 TIMING: 3049400 CPU: 9636.76, 0.00317039/step Wall: 9636.76, 0.00317039/step, 1.71782 hours remaining, 238.558594 MB of memory in use. ENERGY: 3049400 4017.9505 20638.4193 14423.1763 241.0933 -203686.4040 2804.9186 0.0000 0.0000 51830.6572 -109730.1887 297.8715 -161560.8459 -109356.3961 298.8648 -161.0407 -128.5039 760634.1108 2.6931 2.7908 PRESSURE: 3049600 368.115 -32.3199 -57.4307 -32.3199 140.659 -88.8949 -57.4303 -88.8953 -258.882 GPRESSURE: 3049600 302.885 -169.244 -31.9689 -10.4622 222.151 34.22 -110.191 -68.1563 -199.142 PRESSAVG: 3049600 -31.0588 11.379 0.0286036 11.379 18.5321 26.2373 0.0286052 26.2374 -9.86986 GPRESSAVG: 3049600 -31.1457 11.6855 0.664955 11.6279 17.6507 25.7766 0.26858 27.0939 -9.15007 TIMING: 3049600 CPU: 9637.39, 0.00316348/step Wall: 9637.39, 0.00316348/step, 1.7139 hours remaining, 238.558594 MB of memory in use. ENERGY: 3049600 3967.9427 20614.8886 14371.5418 244.1470 -203622.7522 2900.9849 0.0000 0.0000 52079.3621 -109443.8850 299.3008 -161523.2472 -109074.1473 299.6373 83.2975 108.6315 760450.7814 -7.4655 -7.5483 PRESSURE: 3049800 -51.4401 177.246 45.4131 177.247 333.479 -52.3644 45.4136 -52.3652 284.261 GPRESSURE: 3049800 -36.767 160.246 7.05723 160.196 409.178 -87.9564 109.202 93.9327 277.428 PRESSAVG: 3049800 17.4157 -4.42725 45.3181 -4.4272 -12.4433 5.32668 45.3181 5.32665 8.08472 GPRESSAVG: 3049800 17.6532 -4.02515 44.2862 -5.65075 -12.2078 4.8215 43.505 2.08249 8.31272 TIMING: 3049800 CPU: 9638.02, 0.00315747/step Wall: 9638.02, 0.00315747/step, 1.71047 hours remaining, 238.558594 MB of memory in use. ENERGY: 3049800 3909.2844 20613.1619 14280.6142 232.7193 -203190.6162 2604.6451 0.0000 0.0000 52129.9344 -109420.2570 299.5914 -161550.1913 -109053.1134 299.5179 188.7667 216.6131 760428.6919 4.3524 4.5861 PRESSURE: 3050000 -251.378 208.617 -194.358 208.618 38.3083 285.647 -194.359 285.648 -62.6509 GPRESSURE: 3050000 -233.162 200.503 -129.037 146.054 44.3314 374.595 -387.407 178.185 9.46984 PRESSAVG: 3050000 3.23778 28.2039 -26.3422 28.2039 32.4211 35.2584 -26.3422 35.2583 5.07996 GPRESSAVG: 3050000 2.03103 28.5531 -24.9468 28.0252 32.8831 36.0355 -26.2782 37.7366 5.76467 TIMING: 3050000 CPU: 9638.65, 0.00315002/step Wall: 9638.65, 0.00315002/step, 1.70626 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3050000 4000.0710 20559.8377 14423.0153 224.4166 -203045.0023 2365.4577 0.0000 0.0000 52150.5747 -109321.6294 299.7101 -161472.2041 -108958.0179 299.9903 -91.9068 -59.7871 762304.4791 13.5796 13.5596 PRESSURE: 3050200 -9.15028 -105.211 -77.3926 -105.213 -247.002 -34.7682 -77.3927 -34.769 -253.22 GPRESSURE: 3050200 63.4777 -116.414 -51.9503 -140.289 -253.029 -27.6396 -51.7174 -59.4823 -248.768 PRESSAVG: 3050200 33.8467 -16.0108 5.23219 -16.0108 -43.1376 29.5191 5.23221 29.5191 -6.27135 GPRESSAVG: 3050200 32.4734 -18.8112 5.10675 -16.5606 -42.0102 28.8532 5.00382 28.7033 -6.38338 TIMING: 3050200 CPU: 9639.28, 0.00316202/step Wall: 9639.28, 0.00316203/step, 1.71259 hours remaining, 238.558594 MB of memory in use. ENERGY: 3050200 4120.7534 20495.0008 14390.8785 251.1733 -203190.1184 2655.2153 0.0000 0.0000 51783.5717 -109493.5254 297.6009 -161277.0971 -109147.4695 299.3324 -169.7908 -146.1065 762283.8745 -5.1874 -5.3067 PRESSURE: 3050400 -279.647 -283.138 -79.4243 -283.139 29.7702 -109.146 -79.4254 -109.147 -40.725 GPRESSURE: 3050400 -154.793 -251.858 -203.361 -151.501 13.1933 -145.119 -87.347 -58.4567 -69.6034 PRESSAVG: 3050400 14.5918 -18.4827 -46.303 -18.4827 -11.9091 5.29148 -46.303 5.2915 12.3751 GPRESSAVG: 3050400 15.345 -16.6215 -46.5623 -15.6166 -13.8134 3.77905 -46.8867 5.0034 13.066 TIMING: 3050400 CPU: 9639.92, 0.00316877/step Wall: 9639.92, 0.00316877/step, 1.71606 hours remaining, 238.558594 MB of memory in use. ENERGY: 3050400 4033.9310 20431.1617 14413.5072 244.9196 -203229.8997 2518.2249 0.0000 0.0000 51940.5769 -109647.5785 298.5032 -161588.1554 -109297.2371 299.2800 -96.8674 -70.4011 763107.4188 5.0193 4.8659 PRESSURE: 3050600 -334.868 178.151 -127.095 178.151 -166.035 18.1035 -127.096 18.1036 380.026 GPRESSURE: 3050600 -207.579 48.1629 -109.435 46.1262 -126.597 51.6565 -75.0239 -0.375586 293.988 PRESSAVG: 3050600 -21.5604 56.9454 -50.2898 56.9454 -12.5512 -4.62974 -50.2898 -4.62968 -19.0918 GPRESSAVG: 3050600 -20.7436 55.5064 -49.3326 57.1164 -11.8521 -3.47477 -51.7163 -5.73825 -20.2362 TIMING: 3050600 CPU: 9640.55, 0.00318054/step Wall: 9640.55, 0.00318054/step, 1.72226 hours remaining, 238.558594 MB of memory in use. ENERGY: 3050600 4031.5782 20438.0670 14455.9706 252.1501 -203279.0033 2559.0087 0.0000 0.0000 52029.8951 -109512.3335 299.0165 -161542.2286 -109154.8693 299.1820 -40.2924 -13.3962 761536.1593 -17.7344 -17.6106 PRESSURE: 3050800 -217.233 49.4857 -236.864 49.4851 73.2062 12.425 -236.863 12.4255 285.113 GPRESSURE: 3050800 -193.029 70.2239 -159.323 104.627 87.6636 35.4565 -110.478 -71.9181 321.576 PRESSAVG: 3050800 28.886 29.7392 35.0104 29.7392 -40.7085 32.1687 35.0104 32.1687 -12.5127 GPRESSAVG: 3050800 29.2688 29.3703 33.1699 29.0935 -41.482 32.9737 37.1442 32.9438 -11.9926 TIMING: 3050800 CPU: 9641.18, 0.00314437/step Wall: 9641.18, 0.00314437/step, 1.7025 hours remaining, 238.558594 MB of memory in use. ENERGY: 3050800 3989.9770 20611.1884 14403.7979 247.5201 -203269.7822 2546.3351 0.0000 0.0000 51970.8124 -109500.1513 298.6770 -161470.9637 -109138.5229 298.9907 47.0290 72.0704 762634.7976 -8.1117 -8.0686 PRESSURE: 3051000 -271.871 -130.872 -13.5069 -130.871 255.638 -28.5999 -13.5072 -28.6002 450.194 GPRESSURE: 3051000 -145.43 -120.576 -119.491 -118.947 175.05 77.0992 34.9482 -29.7245 460.614 PRESSAVG: 3051000 -43.7255 43.345 33.0723 43.3449 51.0999 4.06672 33.0723 4.06669 5.77596 GPRESSAVG: 3051000 -43.1877 48.0239 34.6503 41.6836 50.6549 3.21528 31.8331 5.67432 6.39629 TIMING: 3051000 CPU: 9641.81, 0.00315516/step Wall: 9641.81, 0.00315516/step, 1.70817 hours remaining, 238.558594 MB of memory in use. ENERGY: 3051000 3875.3751 20511.9840 14410.0886 242.7501 -203404.7981 2692.7590 0.0000 0.0000 52054.5173 -109617.3239 299.1580 -161671.8412 -109254.4781 298.8543 144.6538 163.4113 760868.4622 4.3835 4.6211 PRESSURE: 3051200 -401.314 283.187 98.3122 283.187 221.205 242.466 98.3136 242.466 -8.01304 GPRESSURE: 3051200 -386.116 310.808 55.9858 254.386 266.647 311.104 3.25802 174.221 3.25309 PRESSAVG: 3051200 -37.3971 0.849016 8.75336 0.849041 45.7465 17.5028 8.75336 17.5029 0.167445 GPRESSAVG: 3051200 -38.0402 -3.1417 7.72196 2.2846 46.5641 18.0926 8.66167 15.2992 0.414106 TIMING: 3051200 CPU: 9642.45, 0.00315696/step Wall: 9642.45, 0.00315696/step, 1.70897 hours remaining, 238.558594 MB of memory in use. ENERGY: 3051200 4040.8781 20520.9840 14466.3684 239.6435 -203492.6476 2551.0332 0.0000 0.0000 52068.5304 -109605.2100 299.2386 -161673.7404 -109236.1557 298.6674 -62.7072 -38.7388 762160.4897 2.8390 2.9793 PRESSURE: 3051400 12.1897 -8.22872 -213.047 -8.22908 -377.127 -244.486 -213.048 -244.485 -317.429 GPRESSURE: 3051400 50.1551 24.9557 -87.8425 -80.5973 -405.345 -291.853 -158.774 -179.185 -247.282 PRESSAVG: 3051400 -14.1992 -4.1275 48.5525 -4.12754 55.1196 -10.0477 48.5525 -10.0478 17.9318 GPRESSAVG: 3051400 -13.2708 -2.17142 49.5579 -5.89719 55.1151 -12.9775 49.4284 -7.33061 17.2742 TIMING: 3051400 CPU: 9643.08, 0.00317737/step Wall: 9643.08, 0.00317737/step, 1.71984 hours remaining, 238.558594 MB of memory in use. ENERGY: 3051400 4004.9865 20451.2860 14470.5160 269.7241 -203289.4816 2461.8480 0.0000 0.0000 52098.0981 -109533.0228 299.4085 -161631.1209 -109164.2681 298.9916 -227.4555 -200.8241 762056.3613 19.6174 19.7061 PRESSURE: 3051600 -10.3244 66.9952 -92.1644 66.9944 -4.29934 308.378 -92.1643 308.377 -526.849 GPRESSURE: 3051600 0.985973 10.1258 -143.458 61.1285 17.1322 253.102 -68.2538 131.182 -486.244 PRESSAVG: 3051600 32.5694 47.8681 -52.3964 47.8681 -16.6495 4.82827 -52.3965 4.8283 -12.0971 GPRESSAVG: 3051600 31.3321 47.7903 -54.2953 46.852 -16.0196 6.13509 -51.5616 2.56936 -11.9233 TIMING: 3051600 CPU: 9643.71, 0.00316667/step Wall: 9643.71, 0.00316667/step, 1.71387 hours remaining, 238.558594 MB of memory in use. ENERGY: 3051600 4043.1283 20447.2927 14555.9253 240.9355 -203835.7225 2985.8995 0.0000 0.0000 52257.3799 -109305.1612 300.3239 -161562.5411 -108946.4081 299.4089 -180.4908 -156.0420 762238.3606 1.2743 1.1297 PRESSURE: 3051800 -126.566 231.943 259.523 231.943 -181.125 -52.0181 259.524 -52.0177 -63.7713 GPRESSURE: 3051800 -136.929 266.362 242.267 191.068 -136.062 -8.31594 44.2191 -34.1457 -18.8618 PRESSAVG: 3051800 45.6953 43.3018 -12.3252 43.3019 -9.38659 -12.2775 -12.3251 -12.2775 1.71975 GPRESSAVG: 3051800 46.3972 40.7817 -12.3128 45.6812 -10.1644 -11.9059 -12.2769 -13.1621 2.20849 TIMING: 3051800 CPU: 9644.34, 0.00314297/step Wall: 9644.34, 0.00314297/step, 1.70087 hours remaining, 238.558594 MB of memory in use. ENERGY: 3051800 3987.4489 20671.7793 14408.4815 259.8682 -203446.4668 2631.7597 0.0000 0.0000 52373.5126 -109113.6165 300.9913 -161487.1292 -108755.8815 300.3554 -123.8210 -97.2842 761675.6285 12.6762 12.8138 PRESSURE: 3052000 16.1196 194.142 -17.8391 194.142 50.5767 -151.258 -17.8398 -151.258 112.811 GPRESSURE: 3052000 108.433 279.705 8.69651 246.963 51.3791 -78.8798 -69.4519 -74.8626 108.864 PRESSAVG: 3052000 12.8106 35.1148 -27.64 35.1148 -3.86839 -22.5105 -27.6401 -22.5104 -36.949 GPRESSAVG: 3052000 13.329 34.878 -26.8181 35.5885 -4.12914 -23.4332 -29.4073 -23.3264 -37.721 TIMING: 3052000 CPU: 9644.98, 0.00316734/step Wall: 9644.98, 0.00316734/step, 1.71388 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3052000 3906.1769 20702.0124 14439.1188 231.7780 -203158.6595 2650.7655 0.0000 0.0000 51856.8874 -109371.9206 298.0222 -161228.8080 -109008.4411 300.1650 59.8357 89.5586 761632.6958 -9.3356 -9.5071 PRESSURE: 3052200 21.3498 112.705 -66.6176 112.706 -187.112 -271.776 -66.6173 -271.775 -3.84775 GPRESSURE: 3052200 34.1567 196.568 -105.028 1.19553 -83.5259 -312.086 -87.2904 -262.145 -24.0103 PRESSAVG: 3052200 25.6184 -20.1675 -36.8351 -20.1675 -6.20472 10.7447 -36.8351 10.7448 -8.69825 GPRESSAVG: 3052200 24.4224 -18.6746 -38.0822 -21.7532 -5.27207 11.6377 -37.2373 12.312 -8.96048 TIMING: 3052200 CPU: 9645.61, 0.00316402/step Wall: 9645.61, 0.00316402/step, 1.71191 hours remaining, 238.558594 MB of memory in use. ENERGY: 3052200 4025.6621 20514.4685 14336.6533 244.2766 -203530.9622 2660.0460 0.0000 0.0000 52362.0812 -109387.7745 300.9256 -161749.8557 -109034.0123 299.3854 -56.5367 -24.4598 762883.9355 3.5718 3.3966 LDB: ============= START OF LOAD BALANCING ============== 9658.01 LDB: ============== END OF LOAD BALANCING =============== 9658.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9658.01 LDB: ============= START OF LOAD BALANCING ============== 9658.32 LDB: Largest compute 7036 load 0.031958 is 16.3% of average load 0.196166 LDB: Average compute 0.004381 is 2.2% of average load 0.196166 LDB: TIME 9658.33 LOAD: AVG 0.196166 MAX 0.213929 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 9658.33 LOAD: AVG 0.196166 MAX 0.213929 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 9658.33 LOAD: AVG 0.196166 MAX 0.213929 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 9658.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9658.33 PRESSURE: 3052400 -286.811 201.938 23.2838 201.939 235.759 275.293 23.2833 275.294 -82.9275 GPRESSURE: 3052400 -117.533 143.411 -77.0761 187.198 165.775 236.137 65.8445 174.973 -86.6026 PRESSAVG: 3052400 27.8404 -44.9975 5.68151 -44.9975 -63.0965 -2.41703 5.6815 -2.41702 32.9956 GPRESSAVG: 3052400 27.6273 -45.2231 9.64966 -42.3629 -63.0387 -2.93088 6.97047 -2.37419 33.4642 TIMING: 3052400 CPU: 9646.25, 0.00320521/step Wall: 9646.25, 0.00320521/step, 1.73402 hours remaining, 238.613281 MB of memory in use. ENERGY: 3052400 3977.9479 20426.8183 14388.4969 224.9730 -202826.7944 2287.9446 0.0000 0.0000 52189.6556 -109330.9580 299.9347 -161520.6136 -108961.4447 299.7713 -44.6598 -12.7867 762468.9296 -0.7535 -0.6490 PRESSURE: 3052600 220.443 89.542 23.5794 89.5421 -102.717 24.0881 23.5794 24.087 -607.012 GPRESSURE: 3052600 161.879 82.8176 5.0546 -9.28736 -95.2831 74.4443 158.158 -5.7064 -471.77 PRESSAVG: 3052600 9.80133 -11.0088 -17.2648 -11.0088 10.6492 -6.41288 -17.2648 -6.41288 3.58616 GPRESSAVG: 3052600 11.4504 -10.3598 -18.7996 -12.8992 9.64698 -6.48166 -18.4598 -6.74556 2.88248 TIMING: 3052600 CPU: 9646.88, 0.00314854/step Wall: 9646.88, 0.00314854/step, 1.70319 hours remaining, 238.613281 MB of memory in use. ENERGY: 3052600 4069.9838 20628.8980 14421.6561 219.0700 -203543.2754 2760.8707 0.0000 0.0000 52077.5835 -109365.2133 299.2906 -161442.7968 -109000.4024 299.7660 -163.0955 -135.0582 762545.2287 8.0122 7.9933 PRESSURE: 3052800 80.2139 -201.325 -81.3069 -201.325 170.144 -260.739 -81.307 -260.739 348.756 GPRESSURE: 3052800 125.036 -170.944 51.9997 -230.529 165.082 -229.556 -206.542 -297.894 377.191 PRESSAVG: 3052800 -62.3815 -3.33557 -31.5316 -3.33557 11.4237 -42.5392 -31.5316 -42.5393 16.051 GPRESSAVG: 3052800 -64.3051 -2.86078 -29.7395 -0.467218 10.9236 -41.3454 -31.1792 -41.8172 18.0166 TIMING: 3052800 CPU: 9647.51, 0.00315018/step Wall: 9647.51, 0.00315018/step, 1.7039 hours remaining, 238.613281 MB of memory in use. ENERGY: 3052800 3961.0630 20592.1896 14453.1719 240.4925 -203713.1730 2830.6590 0.0000 0.0000 52120.7350 -109514.8619 299.5386 -161635.5969 -109155.6012 299.2839 199.7045 222.4364 761843.9373 -11.6356 -11.7883 PRESSURE: 3053000 47.7127 -6.19878 -69.7031 -6.19891 -136.076 44.5092 -69.7027 44.5087 95.028 GPRESSURE: 3053000 -28.6187 -63.9911 -129.11 -150.422 -2.41681 -8.49726 -16.9479 76.3029 113.286 PRESSAVG: 3053000 -34.8579 -21.1491 16.8735 -21.1491 35.8631 -40.4841 16.8735 -40.4841 8.23933 GPRESSAVG: 3053000 -34.9252 -21.0974 14.1851 -24.3228 37.7868 -40.8989 18.5299 -40.4805 6.43931 TIMING: 3053000 CPU: 9648.14, 0.00314036/step Wall: 9648.14, 0.00314036/step, 1.69841 hours remaining, 238.613281 MB of memory in use. ENERGY: 3053000 3951.1950 20625.4540 14476.2951 249.6234 -203796.8649 2941.2419 0.0000 0.0000 52102.0326 -109451.0229 299.4311 -161553.0555 -109091.2328 299.5172 2.2216 27.4168 761496.5563 3.0815 3.1003 PRESSURE: 3053200 182.975 301.906 -94.6583 301.905 -263.17 -75.7017 -94.6577 -75.7014 100.305 GPRESSURE: 3053200 228.668 288.375 -99.3654 162.249 -303.985 -109.458 -87.4324 -156.481 179.521 PRESSAVG: 3053200 25.9966 35.706 0.476371 35.706 21.4323 -51.8676 0.476415 -51.8676 15.7748 GPRESSAVG: 3053200 27.1379 35.0353 -0.867529 36.0803 20.1575 -52.1085 -1.26046 -53.2559 16.1547 TIMING: 3053200 CPU: 9648.77, 0.00316849/step Wall: 9648.77, 0.00316849/step, 1.71345 hours remaining, 238.613281 MB of memory in use. ENERGY: 3053200 4023.0793 20516.2968 14411.4758 234.5540 -203187.5266 2690.4357 0.0000 0.0000 51952.1225 -109359.5625 298.5696 -161311.6850 -109001.8555 300.1291 6.7033 34.7349 761341.4146 21.0679 21.1500 PRESSURE: 3053400 391.728 -55.7611 270.739 -55.761 -203.258 163.352 270.74 163.351 154.864 GPRESSURE: 3053400 354.71 -44.7439 351.754 -21.8414 -13.0874 55.7921 199.638 106.972 88.1405 PRESSAVG: 3053400 54.3551 13.7565 -6.03542 13.7566 -63.413 56.8225 -6.03537 56.8225 -17.9142 GPRESSAVG: 3053400 52.7746 13.2051 -3.80417 12.2126 -62.0815 56.1022 -6.03318 58.1011 -17.5673 TIMING: 3053400 CPU: 9649.4, 0.00315413/step Wall: 9649.4, 0.00315413/step, 1.70551 hours remaining, 238.613281 MB of memory in use. ENERGY: 3053400 3978.0346 20581.7451 14453.3192 246.8582 -203307.5256 2482.8272 0.0000 0.0000 52325.9104 -109238.8309 300.7177 -161564.7413 -108856.5793 299.8762 114.4448 143.2545 761140.8558 -8.9907 -8.9581 PRESSURE: 3053600 32.7194 -17.7263 -76.1475 -17.7268 -291.997 33.6125 -76.1482 33.6131 -405.969 GPRESSURE: 3053600 -54.7739 -12.104 -22.4912 11.2531 -214.71 67.1463 -179.57 -67.3823 -309.136 PRESSAVG: 3053600 32.4109 -3.05481 20.7324 -3.05481 -24.3475 59.4498 20.7324 59.4498 5.31818 GPRESSAVG: 3053600 31.9337 -2.60012 19.7376 -0.282969 -26.1502 60.9279 21.987 58.4354 7.11234 TIMING: 3053600 CPU: 9650.03, 0.00314994/step Wall: 9650.03, 0.00314994/step, 1.70307 hours remaining, 238.613281 MB of memory in use. ENERGY: 3053600 4049.8057 20624.4720 14348.6252 246.2638 -202997.7105 2349.8322 0.0000 0.0000 51998.9179 -109379.7937 298.8385 -161378.7116 -109014.7165 299.7439 -221.7490 -192.8732 761072.0364 4.4605 4.2986 PRESSURE: 3053800 171.157 70.8682 69.7383 70.8676 422.022 79.3882 69.7379 79.3897 86.2446 GPRESSURE: 3053800 238.781 104.792 84.2557 106.504 415.385 26.345 70.3013 130.499 114.723 PRESSAVG: 3053800 31.6591 -2.93117 5.31115 -2.93113 -11.3392 49.5689 5.31109 49.5689 -2.97801 GPRESSAVG: 3053800 33.0042 -2.86978 5.66833 -4.15007 -10.6568 49.5164 6.48652 50.8204 -4.28249 TIMING: 3053800 CPU: 9650.66, 0.0031562/step Wall: 9650.66, 0.0031562/step, 1.70628 hours remaining, 238.613281 MB of memory in use. ENERGY: 3053800 3943.7053 20576.6527 14439.2295 251.1906 -203459.4521 2692.3415 0.0000 0.0000 52190.9465 -109365.3861 299.9421 -161556.3325 -108993.2922 300.1063 226.4748 256.2964 761242.4054 5.7806 6.0216 PRESSURE: 3054000 258.114 79.3164 77.575 79.316 -81.4904 -39.2467 77.5748 -39.2466 65.6231 GPRESSURE: 3054000 191.751 76.0466 11.1877 -50.5191 39.3802 -56.7863 7.34634 -117.28 100.064 PRESSAVG: 3054000 4.28788 17.2646 -15.0555 17.2647 -7.13264 11.1081 -15.0555 11.1082 -5.43146 GPRESSAVG: 3054000 4.48329 18.868 -13.3198 17.3728 -6.35017 10.4548 -18.8219 12.6457 -6.66456 TIMING: 3054000 CPU: 9651.29, 0.0031501/step Wall: 9651.29, 0.0031501/step, 1.7028 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3054000 3956.7859 20530.2771 14420.0362 227.9763 -203751.7098 2933.2411 0.0000 0.0000 52251.7842 -109431.6090 300.2917 -161683.3932 -109069.3974 299.6170 80.7489 110.3984 760135.2980 -2.7587 -2.8438 PRESSURE: 3054200 180.165 92.2412 241.769 92.2407 54.4027 147.616 241.769 147.616 235.98 GPRESSURE: 3054200 188.952 40.9673 195.175 135.902 56.4789 167.051 193.666 106.901 304.896 PRESSAVG: 3054200 7.11045 4.31805 13.8466 4.31808 7.25121 38.1305 13.8466 38.1304 16.3102 GPRESSAVG: 3054200 6.26524 2.38239 12.5959 4.6739 6.47286 38.0124 15.6692 38.149 17.3898 TIMING: 3054200 CPU: 9651.93, 0.00315927/step Wall: 9651.93, 0.00315927/step, 1.70759 hours remaining, 238.613281 MB of memory in use. ENERGY: 3054200 4034.8765 20676.5017 14308.1971 234.2382 -203557.9504 2677.6653 0.0000 0.0000 52094.5310 -109531.9405 299.3880 -161626.4715 -109170.8530 299.7787 156.8493 183.4423 763010.5618 10.2240 10.0426 PRESSURE: 3054400 292.813 36.182 -96.0019 36.1825 -443.391 -156.372 -96.0023 -156.372 -15.1193 GPRESSURE: 3054400 247.17 15.619 -86.0325 -16.049 -375.176 -189.633 -0.999637 -127.752 63.0092 PRESSAVG: 3054400 52.7106 -35.1944 -10.0329 -35.1945 -54.3693 54.8433 -10.033 54.8434 1.20846 GPRESSAVG: 3054400 53.1468 -34.1538 -11.0275 -36.299 -54.076 54.6803 -10.9873 53.3592 0.599636 TIMING: 3054400 CPU: 9652.55, 0.00314128/step Wall: 9652.55, 0.00314128/step, 1.69769 hours remaining, 238.613281 MB of memory in use. ENERGY: 3054400 3981.5520 20563.5830 14483.2730 240.3275 -203706.6292 2801.5144 0.0000 0.0000 52055.7159 -109580.6634 299.1649 -161636.3793 -109214.7927 299.3265 -55.2323 -21.6655 763474.7051 -0.1501 -0.1098 PRESSURE: 3054600 -485.933 46.3638 30.1007 46.3644 123.747 -78.3087 30.101 -78.3084 255.468 GPRESSURE: 3054600 -356.653 11.5888 2.10482 4.96407 116.465 -141.66 -64.7638 -185.931 227.593 PRESSAVG: 3054600 1.35889 -18.9954 1.86399 -18.9954 -15.891 16.2888 1.86404 16.2888 1.09641 GPRESSAVG: 3054600 0.530831 -21.1826 4.61514 -17.3467 -15.1711 16.2959 1.50856 14.7628 1.30254 TIMING: 3054600 CPU: 9653.18, 0.00313903/step Wall: 9653.18, 0.00313903/step, 1.69629 hours remaining, 238.613281 MB of memory in use. ENERGY: 3054600 4110.4392 20506.0368 14462.3492 241.5582 -203874.1104 3112.9497 0.0000 0.0000 51728.0493 -109712.7280 297.2818 -161440.7772 -109363.0133 299.0224 -35.5727 -4.1984 763602.9768 -4.4786 -4.4459 PRESSURE: 3054800 101.296 -240.198 -171.3 -240.197 143.176 -173.456 -171.3 -173.456 306.955 GPRESSURE: 3054800 133.78 -228.27 -177.601 -228.944 169.021 -141.227 -201.963 -96.8751 318.407 PRESSAVG: 3054800 -27.4765 -14.6498 8.72728 -14.6498 17.6091 -21.0675 8.72727 -21.0675 22.0173 GPRESSAVG: 3054800 -26.8613 -12.3828 6.88834 -17.5694 17.5777 -21.7747 10.443 -19.668 21.5025 TIMING: 3054800 CPU: 9653.81, 0.0031565/step Wall: 9653.81, 0.0031565/step, 1.70556 hours remaining, 238.613281 MB of memory in use. ENERGY: 3054800 4008.4769 20551.2575 14428.2470 262.8134 -203910.5643 2853.8075 0.0000 0.0000 51985.7918 -109820.1702 298.7631 -161805.9620 -109462.3733 299.0087 183.8090 207.0693 759450.1813 4.0500 4.0729 PRESSURE: 3055000 -153.601 -12.0552 146.291 -12.0552 26.6813 -242.249 146.291 -242.248 158.713 GPRESSURE: 3055000 -76.0976 -83.3848 186.923 44.6552 22.6784 -258.599 176.096 -209.602 156.787 PRESSAVG: 3055000 18.7187 -90.8036 -4.26879 -90.8037 -14.9423 -9.55828 -4.26882 -9.55819 -4.9276 GPRESSAVG: 3055000 18.8229 -91.9318 -3.23987 -88.7589 -14.3738 -8.33124 -6.12366 -9.72947 -5.37127 TIMING: 3055000 CPU: 9654.44, 0.00314977/step Wall: 9654.44, 0.00314977/step, 1.70175 hours remaining, 238.613281 MB of memory in use. ENERGY: 3055000 4000.9966 20564.6172 14452.6649 231.1966 -203601.2908 2741.4261 0.0000 0.0000 51827.6005 -109782.7889 297.8539 -161610.3894 -109418.4616 298.5944 10.5979 34.4559 762727.5940 -0.3837 -0.3074 PRESSURE: 3055200 207.108 -229.854 -14.0083 -229.854 49.1842 -10.2723 -14.0095 -10.2725 240.789 GPRESSURE: 3055200 192.286 -285.637 26.4346 -259.864 67.3085 -56.0404 -54.4786 -60.1753 302.894 PRESSAVG: 3055200 12.545 6.87079 38.2188 6.87082 -12.0804 -49.3661 38.2188 -49.3662 36.4323 GPRESSAVG: 3055200 12.2571 7.64376 37.8828 7.2293 -13.7664 -50.0713 38.7939 -50.2381 37.6189 TIMING: 3055200 CPU: 9655.07, 0.00314671/step Wall: 9655.07, 0.00314671/step, 1.69992 hours remaining, 238.613281 MB of memory in use. ENERGY: 3055200 3950.7384 20743.0487 14445.7919 240.7102 -204136.0288 2847.2152 0.0000 0.0000 52236.5895 -109671.9348 300.2044 -161908.5243 -109316.3148 299.0198 165.6938 187.4963 761877.7535 12.2990 12.0365 PRESSURE: 3055400 -293.48 -185.315 0.264712 -185.316 -294.855 15.8697 0.264742 15.8688 -53.5511 GPRESSURE: 3055400 -224.22 -107.435 76.1901 -120.665 -263.936 18.4218 -32.9596 31.1088 -69.621 PRESSAVG: 3055400 11.8616 -100.758 30.4442 -100.757 -19.2079 -9.88003 30.4444 -9.88001 -5.94047 GPRESSAVG: 3055400 11.581 -99.4636 29.6677 -101.859 -18.6737 -9.25523 30.6625 -11.1752 -6.14313 TIMING: 3055400 CPU: 9655.7, 0.00313351/step Wall: 9655.7, 0.00313351/step, 1.69262 hours remaining, 238.613281 MB of memory in use. ENERGY: 3055400 4093.3110 20461.5046 14445.7842 254.4030 -203789.3330 2630.9481 0.0000 0.0000 51879.2168 -110024.1653 298.1506 -161903.3820 -109661.1699 298.8518 -213.9619 -185.9258 761556.4689 -4.4289 -4.4119 PRESSURE: 3055600 86.4329 112.034 93.2178 112.035 297.147 85.9746 93.2181 85.9748 155.618 GPRESSURE: 3055600 234.834 91.8369 36.2688 164.08 201.008 71.1698 83.0319 60.2167 186.615 PRESSAVG: 3055600 -9.68005 -22.3406 10.8246 -22.3407 -7.12556 4.03887 10.8247 4.03899 -28.8661 GPRESSAVG: 3055600 -8.89686 -23.2422 10.4589 -22.7098 -6.75713 4.80268 10.5373 5.15789 -29.4463 TIMING: 3055600 CPU: 9656.33, 0.00314238/step Wall: 9656.33, 0.00314238/step, 1.69724 hours remaining, 238.613281 MB of memory in use. ENERGY: 3055600 3949.4154 20422.9848 14442.4938 265.7228 -203894.2104 2951.7924 0.0000 0.0000 51995.0503 -109866.7509 298.8163 -161861.8012 -109490.1887 298.5664 179.7327 207.4859 761821.0701 -15.2239 -15.0334 PRESSURE: 3055800 -289.809 161.789 -67.812 161.79 -161.895 79.0666 -67.8126 79.0666 -403.092 GPRESSURE: 3055800 -205.542 71.4125 -83.9275 126.733 -195.504 49.7422 -79.4423 25.2516 -381.543 PRESSAVG: 3055800 -53.0458 -39.7591 11.3842 -39.759 15.9002 -3.77468 11.3842 -3.77481 12.0118 GPRESSAVG: 3055800 -53.7612 -40.4143 11.2455 -40.4202 16.283 -4.61047 12.6767 -3.64391 11.4314 TIMING: 3055800 CPU: 9656.96, 0.003159/step Wall: 9656.96, 0.003159/step, 1.70603 hours remaining, 238.613281 MB of memory in use. ENERGY: 3055800 4032.3411 20550.7788 14489.8731 262.9362 -203655.8583 2551.5429 0.0000 0.0000 52118.6026 -109649.7835 299.5263 -161768.3861 -109273.2574 298.7381 -284.9318 -260.8630 761076.9767 -8.3779 -8.6823 PRESSURE: 3056000 -29.6494 -18.1322 -174.186 -18.132 79.1923 33.3468 -174.185 33.3471 268.833 GPRESSURE: 3056000 2.04033 -104.307 -207.461 -23.4626 89.3751 115.185 -135.536 29.4683 300.159 PRESSAVG: 3056000 1.90968 -7.29864 -36.508 -7.29861 31.7458 -74.4937 -36.508 -74.4937 -5.16367 GPRESSAVG: 3056000 3.90883 -7.10047 -37.5172 -6.33907 30.5528 -74.6194 -36.7789 -75.5155 -5.43078 TIMING: 3056000 CPU: 9657.59, 0.00316115/step Wall: 9657.59, 0.00316115/step, 1.70702 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3056000 3985.1032 20503.0768 14409.2873 245.3145 -203465.8365 2437.6531 0.0000 0.0000 52008.7302 -109876.6713 298.8949 -161885.4015 -109511.3050 298.8735 106.1253 130.5247 761046.6434 9.4973 9.6770 PRESSURE: 3056200 -263.565 -10.8471 -310.265 -10.8475 -487.456 -54.5548 -310.266 -54.5566 -416.927 GPRESSURE: 3056200 -247.522 51.1728 -313.6 -74.5162 -383.798 -62.3113 -322.853 40.2026 -461.666 PRESSAVG: 3056200 -44.0863 -1.98572 -18.939 -1.98574 32.3245 -11.3217 -18.9389 -11.3216 16.119 GPRESSAVG: 3056200 -46.0719 -0.163014 -18.3021 -2.66325 33.0645 -10.2321 -19.6014 -9.74269 16.9592 TIMING: 3056200 CPU: 9658.22, 0.00314793/step Wall: 9658.22, 0.00314793/step, 1.69971 hours remaining, 238.613281 MB of memory in use. ENERGY: 3056200 4058.5386 20808.2293 14408.1065 236.7208 -203439.0163 2395.9665 0.0000 0.0000 52016.4865 -109514.9681 298.9395 -161531.4547 -109156.4347 298.9345 -389.3158 -364.3289 762138.8096 1.4524 1.3173 LDB: ============= START OF LOAD BALANCING ============== 9670.62 LDB: ============== END OF LOAD BALANCING =============== 9670.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9670.62 LDB: ============= START OF LOAD BALANCING ============== 9670.94 LDB: Largest compute 7058 load 0.033971 is 17.3% of average load 0.196116 LDB: Average compute 0.004383 is 2.2% of average load 0.196116 LDB: TIME 9670.94 LOAD: AVG 0.196116 MAX 0.214742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 9670.94 LOAD: AVG 0.196116 MAX 0.214742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.973 MB LDB: TIME 9670.94 LOAD: AVG 0.196116 MAX 0.214742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.973 MB LDB: ============== END OF LOAD BALANCING =============== 9670.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9670.95 PRESSURE: 3056400 146.556 -257.823 64.3898 -257.823 -169.731 -103.137 64.3892 -103.137 -25.3407 GPRESSURE: 3056400 133.722 -278.329 37.5236 -246.129 -153.628 -97.2596 113.226 -164.265 55.3442 PRESSAVG: 3056400 -6.00259 -50.54 -54.4091 -50.54 -40.8498 -10.8861 -54.4091 -10.8861 21.8182 GPRESSAVG: 3056400 -5.33161 -52.4922 -54.7742 -49.4251 -40.1888 -9.61542 -54.299 -13.4943 21.0343 TIMING: 3056400 CPU: 9658.87, 0.00323323/step Wall: 9658.87, 0.00323323/step, 1.74558 hours remaining, 237.843750 MB of memory in use. ENERGY: 3056400 3991.5381 20736.3031 14285.6172 258.2318 -203466.6208 2491.4801 0.0000 0.0000 52126.4404 -109577.0101 299.5714 -161703.4505 -109209.6229 299.5002 -16.1717 11.8127 760643.3639 -8.3447 -8.1620 PRESSURE: 3056600 -175.732 -273.256 -127.434 -273.256 150.177 -110.174 -127.435 -110.175 84.8086 GPRESSURE: 3056600 23.132 -199.34 -39.6162 -151.963 25.0292 -142.621 -98.3737 -5.30263 82.1949 PRESSAVG: 3056600 -9.18313 5.40286 -11.1777 5.40285 26.4215 -34.0973 -11.1777 -34.0972 -21.6317 GPRESSAVG: 3056600 -9.00545 4.93868 -11.7011 4.4968 24.3161 -35.6966 -9.99226 -33.2871 -20.2448 TIMING: 3056600 CPU: 9659.5, 0.00315512/step Wall: 9659.5, 0.00315512/step, 1.70324 hours remaining, 237.843750 MB of memory in use. ENERGY: 3056600 4043.1124 20599.8675 14395.4346 245.2216 -203707.2031 2551.1414 0.0000 0.0000 51984.5355 -109887.8901 298.7558 -161872.4256 -109534.6913 298.7779 19.7515 43.4520 759411.2476 -1.4644 -1.6447 PRESSURE: 3056800 295.534 44.9388 128.277 44.9384 40.2708 -4.48844 128.276 -4.49027 473.408 GPRESSURE: 3056800 279.926 191.863 141.921 53.7143 147.863 69.1219 101.693 38.1027 495.096 PRESSAVG: 3056800 -22.006 -2.89196 30.8928 -2.89196 30.4936 -17.7463 30.8928 -17.7462 30.5799 GPRESSAVG: 3056800 -21.1623 -1.77948 31.4754 -2.52589 30.6561 -17.8555 30.8117 -15.4388 29.3208 TIMING: 3056800 CPU: 9660.13, 0.0031496/step Wall: 9660.13, 0.0031496/step, 1.70008 hours remaining, 237.843750 MB of memory in use. ENERGY: 3056800 3964.4525 20387.4764 14349.9533 230.2794 -203894.2097 2894.9637 0.0000 0.0000 52117.2639 -109949.8204 299.5186 -162067.0843 -109589.7763 298.3626 269.7376 307.6283 759721.0383 13.0225 12.9382 PRESSURE: 3057000 -78.4585 -60.4384 180.741 -60.4378 -115.115 268.869 180.742 268.868 400.017 GPRESSURE: 3057000 66.3188 -67.1385 139.612 -175.583 -64.0183 187.207 114.574 146.457 295.583 PRESSAVG: 3057000 9.55968 -28.2753 52.6419 -28.2754 4.84414 2.15893 52.6419 2.15899 -8.43169 GPRESSAVG: 3057000 7.98933 -25.9207 52.6438 -29.9383 5.65442 1.88282 51.1145 -0.734105 -7.63511 TIMING: 3057000 CPU: 9660.76, 0.00316199/step Wall: 9660.76, 0.00316199/step, 1.70659 hours remaining, 237.843750 MB of memory in use. ENERGY: 3057000 4017.6578 20361.0310 14391.6262 231.6223 -203451.0069 2464.6411 0.0000 0.0000 51838.9212 -110145.5073 297.9190 -161984.4285 -109776.9346 298.2005 68.8144 99.2945 761523.4066 1.9907 2.0029 PRESSURE: 3057200 3.65588 -99.0765 167.419 -99.0781 165.12 -136.564 167.42 -136.564 -359.69 GPRESSURE: 3057200 45.3492 -129.104 165.04 -51.0568 144.519 -133.795 235.556 -56.3454 -331.427 PRESSAVG: 3057200 8.15411 -42.6422 28.5036 -42.6422 -25.9739 -0.723495 28.5035 -0.723481 -8.5933 GPRESSAVG: 3057200 8.8908 -46.3962 29.2412 -40.3373 -26.437 0.914267 27.8485 1.41058 -9.07831 TIMING: 3057200 CPU: 9661.39, 0.00316896/step Wall: 9661.39, 0.00316896/step, 1.71018 hours remaining, 237.843750 MB of memory in use. ENERGY: 3057200 3956.6521 20416.0683 14403.6209 245.1854 -203536.3234 2657.0591 0.0000 0.0000 51881.2531 -109976.4845 298.1623 -161857.7376 -109607.3716 297.6061 -63.6382 -47.1862 761577.0497 -8.8043 -8.8748 PRESSURE: 3057400 144.443 -179.825 -146.733 -179.824 -77.707 -268.462 -146.733 -268.461 140.779 GPRESSURE: 3057400 213.2 -105.092 -69.0641 -142.632 -30.3556 -207.291 -134.429 -254.733 122.805 PRESSAVG: 3057400 58.4841 -32.6799 6.24576 -32.6799 -19.5657 -1.82209 6.24579 -1.82209 -4.84902 GPRESSAVG: 3057400 58.1526 -30.979 6.99453 -32.6678 -18.9642 -1.88099 7.91672 -0.176489 -4.45048 TIMING: 3057400 CPU: 9662.02, 0.00314974/step Wall: 9662.02, 0.00314974/step, 1.69963 hours remaining, 237.843750 MB of memory in use. ENERGY: 3057400 4067.4137 20562.4443 14447.6423 249.6704 -203773.3998 2611.9045 0.0000 0.0000 51905.4920 -109928.8326 298.3016 -161834.3246 -109573.4654 298.3266 69.1717 101.8830 760274.3807 11.3565 11.5793 PRESSURE: 3057600 -3.45995 -38.0399 -97.9396 -38.0408 -74.3601 142.069 -97.9383 142.069 103.659 GPRESSURE: 3057600 65.5972 -79.9763 -67.0296 33.8831 -130.372 104.642 82.8324 48.8358 170.603 PRESSAVG: 3057600 19.2536 -53.8302 32.0147 -53.8302 14.3795 -45.1303 32.0147 -45.1302 -3.49852 GPRESSAVG: 3057600 20.7725 -54.6303 31.5492 -54.91 14.054 -46.8887 32.4622 -46.6155 -4.0257 TIMING: 3057600 CPU: 9662.66, 0.00315427/step Wall: 9662.66, 0.00315427/step, 1.70191 hours remaining, 237.843750 MB of memory in use. ENERGY: 3057600 3984.0568 20420.2229 14436.6407 253.6330 -203843.8640 2891.8970 0.0000 0.0000 52043.2512 -109814.1624 299.0933 -161857.4136 -109443.9351 298.2493 8.6130 35.2759 762263.2765 10.0449 10.2669 PRESSURE: 3057800 -181.287 -15.0265 190.241 -15.0271 257.526 -213.724 190.242 -213.723 -93.7496 GPRESSURE: 3057800 -128.637 -60.6875 178.216 -50.598 359.171 -116.232 174.92 -143.187 -163.807 PRESSAVG: 3057800 -21.74 -10.3433 28.0104 -10.3434 35.8967 -26.6196 28.0104 -26.6196 13.1874 GPRESSAVG: 3057800 -23.1712 -8.54106 29.0014 -8.73293 38.0279 -25.1389 23.6381 -27.3259 12.7184 TIMING: 3057800 CPU: 9663.29, 0.00317773/step Wall: 9663.29, 0.00317773/step, 1.71438 hours remaining, 237.843750 MB of memory in use. ENERGY: 3057800 4099.9945 20479.4522 14368.2871 244.2904 -203597.2493 2663.9521 0.0000 0.0000 52061.0322 -109680.2408 299.1955 -161741.2730 -109326.3578 298.7131 -5.8369 22.2422 760344.7419 9.1147 9.1917 PRESSURE: 3058000 109.286 233.584 -5.45544 233.584 0.404642 158.09 -5.45502 158.091 44.759 GPRESSURE: 3058000 15.7543 136.842 -12.8693 39.4267 129.883 228.186 18.2346 14.9525 104.489 PRESSAVG: 3058000 -36.9308 15.2682 20.7236 15.2682 12.5857 -24.5265 20.7236 -24.5266 31.1627 GPRESSAVG: 3058000 -35.968 13.7473 18.5426 12.3119 12.0358 -24.0236 24.5274 -25.1426 31.8059 TIMING: 3058000 CPU: 9663.93, 0.00320663/step Wall: 9663.93, 0.00320663/step, 1.7298 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3058000 4029.0686 20515.3453 14464.3498 253.9350 -203387.5870 2598.2051 0.0000 0.0000 51990.2362 -109536.4471 298.7886 -161526.6833 -109179.8280 299.5484 51.4834 83.3756 760312.3812 2.2725 2.6246 PRESSURE: 3058200 -435.872 -194.993 197.2 -194.994 -318.819 -101.501 197.201 -101.5 -203.866 GPRESSURE: 3058200 -384.462 -111.509 166.847 -91.327 -323.696 -118.449 172.557 -64.5868 -126.323 PRESSAVG: 3058200 33.3458 -28.7179 44.9109 -28.7179 -2.53026 -35.2782 44.911 -35.2782 -14.0044 GPRESSAVG: 3058200 31.4545 -28.9871 44.6694 -27.1023 -1.61044 -36.5249 47.5305 -31.6075 -13.0353 TIMING: 3058200 CPU: 9664.56, 0.00315537/step Wall: 9664.56, 0.00315537/step, 1.70197 hours remaining, 237.843750 MB of memory in use. ENERGY: 3058200 4101.8030 20546.2886 14419.4405 251.5443 -203387.7391 2637.4171 0.0000 0.0000 52041.1631 -109390.0824 299.0813 -161431.2455 -109044.6416 299.5139 -319.5189 -278.1603 760308.9444 5.6037 5.6029 PRESSURE: 3058400 -171.395 -5.99826 129.548 -5.99786 -411.198 -109.149 129.548 -109.148 -59.582 GPRESSURE: 3058400 -60.8605 19.3967 104.873 -2.62313 -449.996 -14.2932 122.113 -188.24 -62.6087 PRESSAVG: 3058400 36.3306 11.0865 38.5573 11.0866 -16.2578 26.3561 38.5573 26.3562 15.3086 GPRESSAVG: 3058400 37.8198 10.8929 39.6782 10.4571 -17.5113 27.0593 35.2066 25.5734 14.8624 TIMING: 3058400 CPU: 9665.2, 0.00316742/step Wall: 9665.2, 0.00316742/step, 1.70829 hours remaining, 237.843750 MB of memory in use. ENERGY: 3058400 4094.7086 20455.8699 14508.7454 266.5071 -203053.9387 2288.1183 0.0000 0.0000 52222.5406 -109217.4489 300.1237 -161439.9895 -108856.1336 299.7693 -214.0582 -191.1552 759904.0702 11.7938 11.7236 PRESSURE: 3058600 -79.5268 347.574 -65.4085 347.573 -153.652 48.3133 -65.4082 48.3127 57.6949 GPRESSURE: 3058600 -116.886 207.529 -14.7392 349.363 -156.609 115.566 -20.7835 109.014 177.997 PRESSAVG: 3058600 41.7768 -28.3281 -13.5793 -28.3281 -37.5112 1.30544 -13.5793 1.30544 15.029 GPRESSAVG: 3058600 41.9582 -30.8099 -15.1876 -28.2268 -37.5863 1.13816 -12.3468 0.748421 14.9675 TIMING: 3058600 CPU: 9665.83, 0.00317/step Wall: 9665.83, 0.00317/step, 1.70951 hours remaining, 237.843750 MB of memory in use. ENERGY: 3058600 4014.1387 20635.3104 14481.1844 256.8166 -202897.4608 2461.0706 0.0000 0.0000 52119.7345 -108929.2056 299.5328 -161048.9402 -108561.2206 300.4344 -58.4946 -31.8325 760531.2016 6.4315 6.4465 PRESSURE: 3058800 -269.602 244.686 -164.042 244.685 423.054 -113.801 -164.042 -113.8 -30.0982 GPRESSURE: 3058800 -143.361 201.684 -130.812 178.456 392.771 -103.174 40.5536 -139.125 -41.496 PRESSAVG: 3058800 0.478545 -19.3069 4.24639 -19.3069 -29.5219 9.20303 4.24638 9.20294 8.51966 GPRESSAVG: 3058800 0.68883 -18.4465 5.09804 -17.9914 -30.3734 7.57522 4.99709 11.2301 9.65308 TIMING: 3058800 CPU: 9666.47, 0.00319248/step Wall: 9666.47, 0.00319247/step, 1.72145 hours remaining, 237.843750 MB of memory in use. ENERGY: 3058800 4015.4222 20439.3913 14478.5719 235.3122 -203096.5654 2501.6135 0.0000 0.0000 52402.2993 -109023.9550 301.1567 -161426.2543 -108652.5242 300.3640 41.1179 69.3047 760409.9740 -6.8412 -6.6772 PRESSURE: 3059000 185.648 212.341 220.011 212.341 -35.858 4.48697 220.011 4.48753 121.682 GPRESSURE: 3059000 217.65 151.115 275.823 250.559 24.2039 77.9354 131.777 16.8872 123.963 PRESSAVG: 3059000 12.8752 -0.639952 57.2783 -0.639907 23.9243 -6.41733 57.2783 -6.41722 19.9103 GPRESSAVG: 3059000 12.2248 0.667153 58.3342 -1.11301 25.5122 -5.84454 54.7347 -8.79576 19.4277 TIMING: 3059000 CPU: 9667.1, 0.00315789/step Wall: 9667.1, 0.00315789/step, 1.70263 hours remaining, 237.843750 MB of memory in use. ENERGY: 3059000 3983.4488 20493.5553 14374.2707 261.1610 -203363.0217 2879.0949 0.0000 0.0000 52236.8789 -109134.6120 300.2061 -161371.4910 -108775.4615 299.9201 90.4907 121.9390 762553.4744 18.9032 19.0549 PRESSURE: 3059200 83.1601 -213.562 19.3388 -213.562 -90.4302 -119.415 19.3387 -119.415 -10.5731 GPRESSURE: 3059200 157.015 -174.576 -113.783 -26.0246 -96.5861 -108.001 81.5197 -75.5475 9.81313 PRESSAVG: 3059200 19.4246 7.98933 55.9153 7.98938 -1.59289 7.64545 55.9153 7.64536 17.2498 GPRESSAVG: 3059200 20.5963 8.05176 54.7871 8.13604 -2.58217 8.56593 57.3761 8.39123 17.3695 TIMING: 3059200 CPU: 9667.73, 0.00316171/step Wall: 9667.73, 0.00316171/step, 1.70451 hours remaining, 237.843750 MB of memory in use. ENERGY: 3059200 4046.8953 20506.1661 14312.8475 250.5535 -203730.5706 2833.1376 0.0000 0.0000 52410.9576 -109370.0131 301.2065 -161780.9707 -108991.8249 300.3102 -5.9477 23.4140 759445.1301 11.6939 11.7945 PRESSURE: 3059400 -171.629 -182.087 -67.1785 -182.086 15.9649 60.8568 -67.1777 60.8565 -120.322 GPRESSURE: 3059400 -118.59 -105.298 -96.811 -61.8943 27.7514 99.3308 -7.75194 -70.3652 -108.036 PRESSAVG: 3059400 13.0323 -9.41811 26.0053 -9.41805 -1.64892 58.4494 26.0053 58.4494 4.51782 GPRESSAVG: 3059400 12.3106 -8.68948 25.767 -9.32748 -1.86084 58.6502 26.2644 57.0801 5.36878 TIMING: 3059400 CPU: 9668.37, 0.00317024/step Wall: 9668.37, 0.00317024/step, 1.70894 hours remaining, 237.843750 MB of memory in use. ENERGY: 3059400 4008.9465 20446.1898 14362.8981 254.4273 -203723.3278 2702.4245 0.0000 0.0000 52257.8829 -109690.5587 300.3268 -161948.4415 -109316.7846 299.5603 -91.9952 -66.2914 761129.3337 5.3004 5.2728 PRESSURE: 3059600 -87.3856 176.785 -79.8064 176.785 78.0097 -388.29 -79.8064 -388.289 -146.386 GPRESSURE: 3059600 -51.5735 230.925 -156.212 131.439 159.556 -418.896 83.5926 -403.873 -152.997 PRESSAVG: 3059600 5.16727 -3.70836 37.9777 -3.70837 -37.5004 -49.8752 37.9777 -49.8751 -2.52942 GPRESSAVG: 3059600 5.54358 -4.10433 37.6578 -4.76936 -36.4228 -49.6736 39.1474 -48.9947 -3.7961 TIMING: 3059600 CPU: 9669, 0.00318305/step Wall: 9669, 0.00318305/step, 1.71566 hours remaining, 237.843750 MB of memory in use. ENERGY: 3059600 4056.0746 20441.3358 14399.6625 240.2335 -203515.0685 2667.7399 0.0000 0.0000 52052.0244 -109657.9978 299.1437 -161710.0221 -109289.6702 299.4135 -51.9206 -15.0047 759934.1732 -11.6209 -11.5584 PRESSURE: 3059800 -152.291 -118.18 -84.5836 -118.18 -2.42898 257.492 -84.5829 257.492 207.63 GPRESSURE: 3059800 -121.415 -149.753 -57.7516 -146.677 2.16305 270.262 -18.1692 84.0109 241.129 PRESSAVG: 3059800 -38.0472 -50.8735 33.8346 -50.8736 34.7916 -1.93641 33.8345 -1.9364 5.54418 GPRESSAVG: 3059800 -38.5694 -52.0063 34.1208 -48.6133 34.8651 -1.33003 33.3656 -4.70586 5.88362 TIMING: 3059800 CPU: 9669.64, 0.00316901/step Wall: 9669.64, 0.003169/step, 1.70792 hours remaining, 237.843750 MB of memory in use. ENERGY: 3059800 4028.6723 20616.2573 14460.1958 238.3225 -203431.2974 2622.6125 0.0000 0.0000 51746.5912 -109718.6458 297.3884 -161465.2370 -109358.2666 299.4524 17.6369 40.6258 760527.8682 0.7629 0.7264 PRESSURE: 3060000 -372.4 58.5379 87.4505 58.5378 -325.43 56.4981 87.4511 56.4973 -338.62 GPRESSURE: 3060000 -277.43 58.9809 126.328 254.694 -304.615 65.2411 135.337 69.1081 -373.216 PRESSAVG: 3060000 23.9534 -71.1692 40.2631 -71.1692 -4.62566 77.911 40.2631 77.9109 -27.0863 GPRESSAVG: 3060000 22.9169 -69.8843 40.6531 -72.7976 -4.51671 76.2179 37.9863 81.2506 -27.0275 TIMING: 3060000 CPU: 9670.27, 0.00316954/step Wall: 9670.27, 0.00316954/step, 1.70803 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3060000 4023.0808 20418.7091 14478.3849 240.7813 -203213.7569 2207.9314 0.0000 0.0000 51929.7700 -109915.0994 298.4411 -161844.8695 -109557.7957 299.0001 -345.4835 -318.4206 760068.9684 -2.5862 -2.8758 PRESSURE: 3060200 -216.314 -21.7059 122.526 -21.7067 -110.183 -80.652 122.526 -80.6518 -173.584 GPRESSURE: 3060200 -194.124 -10.7313 165.682 -120.825 -131.127 -11.4629 -66.6002 -64.2558 -75.5817 PRESSAVG: 3060200 -4.09363 -66.2947 16.7058 -66.2948 33.7322 24.2528 16.7059 24.2529 7.77733 GPRESSAVG: 3060200 -3.23749 -65.587 15.962 -67.8105 32.9337 24.8827 16.9363 22.5231 7.97426 TIMING: 3060200 CPU: 9670.91, 0.00317002/step Wall: 9670.91, 0.00317002/step, 1.70811 hours remaining, 237.843750 MB of memory in use. ENERGY: 3060200 4052.1962 20398.2415 14415.0957 270.1902 -203390.3432 2485.6666 0.0000 0.0000 52022.2882 -109746.6649 298.9728 -161768.9531 -109389.3568 299.0347 -166.6936 -133.6110 759562.6992 12.4720 12.5568 LDB: ============= START OF LOAD BALANCING ============== 9683.31 LDB: ============== END OF LOAD BALANCING =============== 9683.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9683.31 LDB: ============= START OF LOAD BALANCING ============== 9683.63 LDB: Largest compute 7058 load 0.030973 is 15.8% of average load 0.196105 LDB: Average compute 0.004378 is 2.2% of average load 0.196105 LDB: TIME 9683.63 LOAD: AVG 0.196105 MAX 0.219116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 9683.63 LOAD: AVG 0.196105 MAX 0.219116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 9683.63 LOAD: AVG 0.196105 MAX 0.219116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9683.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9683.64 PRESSURE: 3060400 64.9616 -98.1796 -98.658 -98.1789 -54.3782 -57.6808 -98.6586 -57.6812 467.2 GPRESSURE: 3060400 89.4461 -93.4485 -60.7828 -117.111 7.57943 -55.6654 -9.13929 30.0773 467.684 PRESSAVG: 3060400 -16.9283 -17.5672 23.7045 -17.5671 12.5449 -36.975 23.7045 -36.9751 20.4723 GPRESSAVG: 3060400 -17.6519 -20.3049 23.614 -15.8553 12.8448 -37.9081 23.7063 -36.0474 20.705 TIMING: 3060400 CPU: 9671.56, 0.00324879/step Wall: 9671.56, 0.00324879/step, 1.75037 hours remaining, 239.195312 MB of memory in use. ENERGY: 3060400 3983.2813 20560.7799 14357.8241 243.8391 -203266.2651 2563.4255 0.0000 0.0000 51866.2560 -109690.8593 298.0761 -161557.1152 -109337.9696 299.0474 159.2610 188.2366 760553.5256 5.3629 5.2993 PRESSURE: 3060600 427.094 -81.3137 -197.854 -81.3138 223.208 -122.621 -197.854 -122.621 561.706 GPRESSURE: 3060600 472.377 -17.25 -150.494 -155.805 339.079 -146.554 29.9479 -63.9031 499.854 PRESSAVG: 3060600 -11.4848 -16.6301 -31.0719 -16.6301 1.87444 -4.0155 -31.072 -4.01554 11.281 GPRESSAVG: 3060600 -11.5033 -16.7306 -27.4123 -16.8142 2.57806 -2.09513 -30.2278 -3.96204 10.8929 TIMING: 3060600 CPU: 9672.19, 0.00316303/step Wall: 9672.19, 0.00316303/step, 1.70399 hours remaining, 239.195312 MB of memory in use. ENERGY: 3060600 3919.5479 20481.4714 14428.4111 239.7549 -203846.7877 2890.0122 0.0000 0.0000 52165.3546 -109722.2357 299.7950 -161887.5903 -109353.5388 299.0297 404.0028 437.1033 758746.4004 0.5569 0.6559 PRESSURE: 3060800 -127.522 -17.4653 -46.7874 -17.4644 -42.9678 -149.434 -46.7865 -149.433 45.637 GPRESSURE: 3060800 -66.0851 18.8791 -38.893 18.1509 -8.78277 -156.862 -87.6045 -105.123 34.6493 PRESSAVG: 3060800 -3.11053 -6.27763 3.5889 -6.27772 -8.30371 -32.168 3.58889 -32.168 5.15948 GPRESSAVG: 3060800 -3.80119 -5.60258 -0.108959 -7.14877 -8.41241 -33.0538 2.43527 -33.017 5.5701 TIMING: 3060800 CPU: 9672.82, 0.00317076/step Wall: 9672.82, 0.00317076/step, 1.70798 hours remaining, 239.195312 MB of memory in use. ENERGY: 3060800 3871.2085 20456.0192 14360.8189 236.6805 -203115.5266 2550.8477 0.0000 0.0000 52093.4635 -109546.4882 299.3819 -161639.9517 -109183.3806 299.1598 -41.6176 -13.4062 762667.6355 -2.0849 -2.2145 PRESSURE: 3061000 -53.5322 -35.3807 -15.5017 -35.3804 -250.798 149.976 -15.5014 149.976 -270.343 GPRESSURE: 3061000 -133.829 -2.91473 0.450551 111.333 -184.413 126.043 63.3668 78.1339 -156.336 PRESSAVG: 3061000 67.5574 44.3328 -33.1508 44.3328 -76.35 -14.5539 -33.1508 -14.5539 8.35229 GPRESSAVG: 3061000 66.0685 44.6191 -32.7555 45.8098 -75.5534 -13.7502 -32.2862 -16.5556 8.60922 TIMING: 3061000 CPU: 9673.46, 0.00318795/step Wall: 9673.46, 0.00318795/step, 1.71706 hours remaining, 239.195312 MB of memory in use. ENERGY: 3061000 3962.9312 20469.8467 14341.0120 237.0732 -203129.7962 2542.0907 0.0000 0.0000 51749.6266 -109827.2157 297.4058 -161576.8423 -109464.7491 298.4947 -191.5575 -158.1929 761363.2939 -0.1468 -0.2919 PRESSURE: 3061200 82.4256 -174.828 109.038 -174.829 156.678 -58.333 109.039 -58.3339 151.116 GPRESSURE: 3061200 168.827 -129.189 69.2128 -141.705 146.645 -28.8003 145.925 -62.4638 146.792 PRESSAVG: 3061200 -12.9477 0.287492 7.64676 0.287482 21.4247 -29.4189 7.64677 -29.4189 12.4888 GPRESSAVG: 3061200 -10.1169 0.418276 8.50166 -2.48406 19.5256 -29.86 9.32368 -26.5952 12.3015 TIMING: 3061200 CPU: 9674.09, 0.00317614/step Wall: 9674.09, 0.00317614/step, 1.71053 hours remaining, 239.195312 MB of memory in use. ENERGY: 3061200 3859.8701 20437.6441 14449.4483 237.6915 -203071.3234 2485.6571 0.0000 0.0000 51904.1794 -109696.8328 298.2940 -161601.0122 -109330.2964 298.4799 130.0734 154.0880 759811.2264 6.9886 7.2367 PRESSURE: 3061400 -91.0641 331.137 62.953 331.136 219.481 -108.891 62.9525 -108.891 273.317 GPRESSURE: 3061400 -3.30401 341.837 79.7248 413.429 222.857 -109.722 60.9783 -82.7595 267.132 PRESSAVG: 3061400 -17.4629 0.737609 -45.824 0.737648 24.1768 -8.42472 -45.824 -8.42479 -17.1359 GPRESSAVG: 3061400 -17.1336 0.878595 -46.8314 1.47667 23.6985 -8.55953 -48.2336 -8.01645 -17.4172 TIMING: 3061400 CPU: 9674.73, 0.00318365/step Wall: 9674.73, 0.00318365/step, 1.71439 hours remaining, 239.195312 MB of memory in use. ENERGY: 3061400 4061.4502 20365.1824 14411.9013 226.1099 -203334.4316 2581.8907 0.0000 0.0000 51907.9236 -109779.9734 298.3156 -161687.8971 -109418.7316 298.4081 133.9114 162.2284 761199.8905 -3.4740 -3.6174 PRESSURE: 3061600 32.8803 13.3418 16.4025 13.3419 1.87261 -118.641 16.4023 -118.643 -95.4594 GPRESSURE: 3061600 29.6654 -152.666 22.1195 -131.589 55.7687 -114.424 -153.685 -112.194 -71.7396 PRESSAVG: 3061600 50.6662 -28.6198 5.36724 -28.6197 -53.0381 -15.0238 5.36724 -15.0238 -8.25502 GPRESSAVG: 3061600 50.1929 -27.6715 4.66457 -26.9365 -53.1035 -16.2195 5.80827 -16.9908 -7.32964 TIMING: 3061600 CPU: 9675.37, 0.00316805/step Wall: 9675.37, 0.00316805/step, 1.70582 hours remaining, 239.195312 MB of memory in use. ENERGY: 3061600 4031.3602 20352.1335 14427.2562 240.5182 -203316.4398 2567.4446 0.0000 0.0000 52014.4939 -109683.2332 298.9280 -161697.7271 -109324.3914 298.9134 -20.2355 4.5648 760240.6441 -3.5423 -3.4134 PRESSURE: 3061800 74.1055 -130.379 78.2897 -130.38 -90.699 108.786 78.2901 108.786 60.7853 GPRESSURE: 3061800 38.1909 -51.2626 95.8243 -81.4953 -44.0538 29.3813 98.551 -24.298 139.097 PRESSAVG: 3061800 2.42651 -7.58872 9.29925 -7.5887 20.1554 8.44546 9.29923 8.44542 14.1165 GPRESSAVG: 3061800 0.963922 -9.48553 11.244 -8.79099 21.7058 8.95072 8.61432 9.00739 14.2136 TIMING: 3061800 CPU: 9676, 0.00316667/step Wall: 9676, 0.00316667/step, 1.7049 hours remaining, 239.195312 MB of memory in use. ENERGY: 3061800 3983.5125 20347.4905 14369.2208 239.2945 -203221.4538 2540.3470 0.0000 0.0000 51964.3072 -109777.2813 298.6396 -161741.5886 -109417.5341 298.7470 14.7306 44.4115 760332.9578 12.2328 12.2944 PRESSURE: 3062000 -62.3888 3.15974 -193.597 3.15962 -222.891 -95.758 -193.596 -95.7572 -206.604 GPRESSURE: 3062000 -32.4087 63.0497 -120.163 -80.4183 -259.514 -91.1081 -165.657 -18.9903 -120.505 PRESSAVG: 3062000 -14.4459 -27.0348 -8.07948 -27.0348 24.1889 -6.07248 -8.07944 -6.07248 7.7055 GPRESSAVG: 3062000 -14.5556 -27.6964 -8.58855 -25.0295 24.0213 -5.94382 -8.92474 -3.95639 7.64964 TIMING: 3062000 CPU: 9676.63, 0.00316677/step Wall: 9676.63, 0.00316677/step, 1.70478 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3062000 3968.9633 20492.8269 14375.3854 259.4729 -203464.9333 2514.0544 0.0000 0.0000 52099.6794 -109754.5508 299.4176 -161854.2303 -109399.4195 298.2526 -163.9614 -137.4759 761439.5910 5.8162 5.7051 PRESSURE: 3062200 190.193 -90.9189 113.819 -90.919 -241.456 266.772 113.818 266.771 -389.029 GPRESSURE: 3062200 182.348 -176.464 112.191 63.4942 -145.927 211.764 167.931 185.432 -405.565 PRESSAVG: 3062200 -54.8541 26.0309 4.52827 26.0309 1.43436 17.849 4.52824 17.849 -2.07891 GPRESSAVG: 3062200 -54.3268 28.0298 4.73222 25.1925 0.889848 18.0444 7.1582 17.5146 -2.26008 TIMING: 3062200 CPU: 9677.26, 0.00316552/step Wall: 9677.26, 0.00316552/step, 1.70393 hours remaining, 239.195312 MB of memory in use. ENERGY: 3062200 4040.1163 20361.7141 14368.8782 237.6083 -203176.6559 2439.2395 0.0000 0.0000 51837.9184 -109891.1811 297.9132 -161729.0995 -109539.2247 298.9255 -146.7643 -123.0484 763221.9106 -18.4996 -18.5657 PRESSURE: 3062400 306.763 102.981 -164.573 102.981 118.486 202.409 -164.572 202.41 -151.179 GPRESSURE: 3062400 291.38 118.34 -165.094 32.9761 129.409 208.821 -120.622 93.7939 -72.1606 PRESSAVG: 3062400 29.4119 7.18302 31.1122 7.1831 -0.8243 9.88471 31.1122 9.88468 -14.3131 GPRESSAVG: 3062400 27.7108 7.56735 31.3263 6.22221 0.379385 10.778 30.959 7.55844 -14.2143 TIMING: 3062400 CPU: 9677.9, 0.00316671/step Wall: 9677.9, 0.00316671/step, 1.70439 hours remaining, 239.195312 MB of memory in use. ENERGY: 3062400 4002.1283 20535.8441 14398.5221 256.6521 -203821.0946 2950.8061 0.0000 0.0000 51827.9493 -109849.1926 297.8559 -161677.1419 -109489.8874 298.5526 91.3566 116.2092 761358.3693 4.7582 4.6253 PRESSURE: 3062600 -15.654 256.04 -45.9822 256.041 -149.378 164.621 -45.9826 164.62 -175.164 GPRESSURE: 3062600 20.3886 250.019 -21.3686 124.712 -107.174 167.646 -83.2234 127.801 -172.567 PRESSAVG: 3062600 -12.1092 33.4514 -47.6394 33.4514 -21.7739 16.6 -47.6395 16.6 -26.0768 GPRESSAVG: 3062600 -10.2585 31.066 -49.3967 33.6042 -22.1828 15.4208 -47.5952 15.6865 -27.0223 TIMING: 3062600 CPU: 9678.53, 0.00317341/step Wall: 9678.53, 0.00317341/step, 1.70782 hours remaining, 239.195312 MB of memory in use. ENERGY: 3062600 3942.9516 20597.8693 14374.4695 267.4745 -203042.3486 2362.3867 0.0000 0.0000 51839.2290 -109657.9680 297.9208 -161497.1970 -109302.2691 298.6231 -113.3986 -86.4509 762577.1842 -19.9866 -19.8212 PRESSURE: 3062800 -177.156 -125.773 -171.121 -125.772 -188.771 155.348 -171.121 155.347 -4.65233 GPRESSURE: 3062800 -144.901 -64.3983 -152.797 -107.351 -253.294 115.01 -161.624 231.936 91.4577 PRESSAVG: 3062800 38.6664 15.9671 -29.0546 15.9671 -22.5914 -20.9081 -29.0546 -20.9081 15.9564 GPRESSAVG: 3062800 37.8462 15.439 -26.8894 17.4498 -22.9013 -20.2196 -29.2559 -18.8761 16.8866 TIMING: 3062800 CPU: 9679.17, 0.00318945/step Wall: 9679.17, 0.00318945/step, 1.71628 hours remaining, 239.195312 MB of memory in use. ENERGY: 3062800 3976.7046 20592.6235 14482.2565 257.1238 -203396.7846 2475.9715 0.0000 0.0000 51930.0947 -109682.0099 298.4430 -161612.1046 -109321.9747 298.5824 -123.5267 -102.2457 763525.0292 10.6771 10.6105 PRESSURE: 3063000 -278.793 13.3521 -125.906 13.352 -127.494 -2.82142 -125.905 -2.82096 -412.984 GPRESSURE: 3063000 -123.126 0.964686 -68.8617 -116.356 -168.425 -5.05487 -184.934 12.4331 -447.302 PRESSAVG: 3063000 3.03431 22.3956 -10.1397 22.3956 -48.2322 20.8106 -10.1396 20.8106 -12.164 GPRESSAVG: 3063000 3.96254 25.4037 -9.5476 19.3302 -48.192 20.5363 -9.86592 22.5697 -12.4509 TIMING: 3063000 CPU: 9679.81, 0.00319094/step Wall: 9679.81, 0.00319094/step, 1.71691 hours remaining, 239.195312 MB of memory in use. ENERGY: 3063000 4009.6723 20433.9987 14396.4972 249.3824 -202955.2261 2220.9782 0.0000 0.0000 52166.9804 -109477.7169 299.8044 -161644.6973 -109110.1042 299.3229 -273.0906 -246.2847 762662.3131 -19.1206 -18.8935 PRESSURE: 3063200 -582.743 -125.101 -165.741 -125.1 -3.3584 -57.0349 -165.741 -57.0344 -165.472 GPRESSURE: 3063200 -491.785 -144.559 -213.148 -179.846 33.1121 -35.6738 -144.754 -154.638 -207.035 PRESSAVG: 3063200 -62.2262 -5.84292 41.281 -5.8429 37.9559 13.9783 41.281 13.9783 -27.4646 GPRESSAVG: 3063200 -61.0339 -8.07859 39.5046 -2.17749 36.6973 14.2195 41.3392 12.1125 -27.2824 TIMING: 3063200 CPU: 9680.44, 0.00317556/step Wall: 9680.44, 0.00317556/step, 1.70845 hours remaining, 239.195312 MB of memory in use. ENERGY: 3063200 3990.6615 20443.0883 14381.6994 240.8100 -203214.1217 2532.7356 0.0000 0.0000 52082.7349 -109542.3922 299.3202 -161625.1271 -109171.6149 299.1710 -250.5243 -221.9026 761292.5624 -17.2450 -17.2064 PRESSURE: 3063400 347.823 65.4786 -121.079 65.4786 -331.154 114.3 -121.079 114.3 154.78 GPRESSURE: 3063400 318.738 62.6118 -169.814 36.3115 -203.915 86.4835 -143.674 76.2567 129.753 PRESSAVG: 3063400 -8.35279 36.8342 -24.958 36.8342 31.0113 11.7569 -24.958 11.7568 -1.03483 GPRESSAVG: 3063400 -9.46069 35.1894 -24.5628 34.4852 32.8232 13.155 -25.7328 11.0664 -2.10345 TIMING: 3063400 CPU: 9681.08, 0.00316734/step Wall: 9681.08, 0.00316734/step, 1.70385 hours remaining, 239.195312 MB of memory in use. ENERGY: 3063400 3985.7725 20598.9965 14394.1157 242.8522 -203542.3774 2867.9421 0.0000 0.0000 52183.0004 -109269.6980 299.8964 -161452.6984 -108921.7063 299.3864 57.1495 81.5254 763437.1038 7.2079 7.0864 PRESSURE: 3063600 -189.939 -47.8544 205.344 -47.8536 -379.451 -49.7225 205.344 -49.7228 79.3449 GPRESSURE: 3063600 -133.324 -119.784 193.005 27.4195 -314.43 9.66532 183.955 -159.266 48.4178 PRESSAVG: 3063600 0.907871 30.8062 1.60508 30.8063 -12.8728 -0.937499 1.60511 -0.937483 -1.0332 GPRESSAVG: 3063600 1.12605 32.9963 2.5166 30.6037 -13.3076 -3.14113 0.707235 -0.380488 -0.662998 TIMING: 3063600 CPU: 9681.71, 0.00317157/step Wall: 9681.71, 0.00317157/step, 1.70595 hours remaining, 239.195312 MB of memory in use. ENERGY: 3063600 4020.4006 20503.8541 14386.8647 236.8228 -202844.3559 2405.3857 0.0000 0.0000 51842.6982 -109448.3297 297.9407 -161291.0279 -109091.0025 299.3274 -163.3485 -133.1119 764219.8142 -4.3327 -4.2815 PRESSURE: 3063800 -134.425 -60.7931 -14.2809 -60.7936 -46.1042 11.593 -14.28 11.5929 146.705 GPRESSURE: 3063800 -83.9834 -114.364 45.3823 -154.276 -5.25699 3.48813 42.8915 -0.188324 157.296 PRESSAVG: 3063800 22.513 3.9974 18.7277 3.99741 -12.0647 -30.597 18.7276 -30.597 -18.5698 GPRESSAVG: 3063800 22.6225 3.25093 16.2965 3.38819 -11.4683 -27.7635 20.5938 -30.1717 -18.9421 TIMING: 3063800 CPU: 9682.35, 0.00318216/step Wall: 9682.35, 0.00318216/step, 1.71147 hours remaining, 239.195312 MB of memory in use. ENERGY: 3063800 4040.5941 20488.5565 14386.8906 247.9142 -203771.6877 2914.4172 0.0000 0.0000 52130.6732 -109562.6419 299.5957 -161693.3151 -109203.3946 299.4013 -11.2746 22.6853 760780.1366 -2.7072 -2.5960 PRESSURE: 3064000 -88.3065 114.822 98.3768 114.821 -34.3752 125.688 98.3771 125.688 -187.803 GPRESSURE: 3064000 -91.9562 112.639 105.937 28.918 51.3137 129.071 -45.0944 118.769 -174.503 PRESSAVG: 3064000 25.6269 -19.8961 38.9497 -19.8961 -11.0204 39.2199 38.9497 39.2199 8.94841 GPRESSAVG: 3064000 24.1647 -18.2915 40.8069 -18.3198 -11.8323 36.7796 37.1662 41.4661 10.6364 TIMING: 3064000 CPU: 9682.98, 0.0031682/step Wall: 9682.98, 0.0031682/step, 1.70379 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3064000 3981.1455 20530.8642 14391.4166 240.7437 -203534.4082 2689.7533 0.0000 0.0000 52146.8079 -109553.6769 299.6884 -161700.4848 -109188.5936 299.0269 -103.4950 -71.7151 761604.6797 7.8516 7.6563 PRESSURE: 3064200 9.58245 10.5415 8.62286 10.5416 -201.66 -18.3647 8.62333 -18.3642 -279.463 GPRESSURE: 3064200 32.0434 1.22956 15.2211 21.9245 -192.855 -73.3553 22.1472 48.6037 -227.063 PRESSAVG: 3064200 6.7921 -19.4736 -16.8926 -19.4736 49.7617 54.246 -16.8926 54.2459 10.7168 GPRESSAVG: 3064200 7.22944 -21.5342 -16.5192 -19.5351 50.186 54.8555 -18.1593 52.0055 9.50882 TIMING: 3064200 CPU: 9683.62, 0.00316644/step Wall: 9683.62, 0.00316644/step, 1.70267 hours remaining, 239.195312 MB of memory in use. ENERGY: 3064200 3963.5072 20498.6606 14543.9187 237.4826 -202847.4885 1970.7641 0.0000 0.0000 51916.3044 -109716.8510 298.3637 -161633.1554 -109366.7871 299.2828 -157.1802 -129.2917 761338.1573 22.4236 22.3081 LDB: ============= START OF LOAD BALANCING ============== 9696.01 LDB: ============== END OF LOAD BALANCING =============== 9696.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9696.02 LDB: ============= START OF LOAD BALANCING ============== 9696.33 LDB: Largest compute 7059 load 0.033266 is 17.0% of average load 0.195957 LDB: Average compute 0.004394 is 2.2% of average load 0.195957 LDB: TIME 9696.34 LOAD: AVG 0.195957 MAX 0.215132 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 9696.34 LOAD: AVG 0.195957 MAX 0.215132 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 9696.34 LOAD: AVG 0.195957 MAX 0.215132 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9696.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9696.35 PRESSURE: 3064400 -77.8425 89.5315 50.3956 89.5307 -38.7283 85.3362 50.3958 85.3362 -344.278 GPRESSURE: 3064400 -56.2054 -8.02247 73.2386 183.008 -48.0682 136.146 -102.267 87.5652 -273.314 PRESSAVG: 3064400 -15.0705 23.434 -27.7285 23.434 53.9361 27.3414 -27.7286 27.3415 4.60411 GPRESSAVG: 3064400 -15.4183 22.6842 -28.1412 23.8239 53.098 26.8309 -25.836 27.3774 5.47559 TIMING: 3064400 CPU: 9684.26, 0.00323559/step Wall: 9684.26, 0.00323559/step, 1.73967 hours remaining, 240.406250 MB of memory in use. ENERGY: 3064400 4020.4779 20419.0751 14397.4069 238.1950 -203388.8742 2498.9167 0.0000 0.0000 51976.6478 -109838.1548 298.7105 -161814.8026 -109482.2822 299.0534 -153.6163 -125.8624 761381.1636 14.4899 14.3851 PRESSURE: 3064600 -226.686 -130.524 63.352 -130.525 -284.397 57.4331 63.352 57.4333 99.3726 GPRESSURE: 3064600 -165.725 -29.2982 140.591 -136.708 -211.671 25.0498 -19.2486 -4.2877 42.1051 PRESSAVG: 3064600 -65.6782 18.1777 45.1242 18.1777 68.3698 50.4877 45.1242 50.4876 -9.64502 GPRESSAVG: 3064600 -64.5545 22.0466 45.0078 16.9558 68.5861 50.9267 44.1377 48.7205 -10.9053 TIMING: 3064600 CPU: 9684.89, 0.00314215/step Wall: 9684.89, 0.00314215/step, 1.68925 hours remaining, 240.609375 MB of memory in use. ENERGY: 3064600 3917.5803 20382.5797 14434.3839 241.1974 -203145.9639 2406.7014 0.0000 0.0000 51958.2698 -109805.2513 298.6049 -161763.5212 -109448.1265 298.1561 -137.2367 -111.7637 762919.6295 -2.3178 -2.2912 PRESSURE: 3064800 -0.320119 -101.381 342.592 -101.381 -365.469 157.424 342.592 157.425 292.072 GPRESSURE: 3064800 22.2001 63.5373 372.951 -113.876 -312.51 303.717 284.86 18.6889 285.121 PRESSAVG: 3064800 -47.4693 -14.0798 28.878 -14.0798 64.9781 -48.8396 28.878 -48.8395 -18.2313 GPRESSAVG: 3064800 -48.2404 -15.0907 29.621 -13.2437 65.4598 -48.0996 30.2986 -46.5188 -17.9526 TIMING: 3064800 CPU: 9685.52, 0.00314455/step Wall: 9685.52, 0.00314455/step, 1.69037 hours remaining, 240.609375 MB of memory in use. ENERGY: 3064800 3945.2736 20517.9056 14465.4661 251.9803 -203300.4959 2511.9461 0.0000 0.0000 51854.5454 -109753.3787 298.0088 -161607.9241 -109399.3159 298.8791 -24.5722 -1.7296 762487.3930 -0.2408 -0.2444 PRESSURE: 3065000 231.339 -123.538 -119.011 -123.539 50.7879 -201.27 -119.01 -201.27 80.0882 GPRESSURE: 3065000 215.104 -186.981 -168.604 -16.3043 53.578 -227.776 -68.9453 -154.42 174.217 PRESSAVG: 3065000 -45.7373 -48.407 -3.17418 -48.407 15.4075 28.9469 -3.17423 28.9469 4.80712 GPRESSAVG: 3065000 -46.0637 -49.5081 -3.65911 -48.9828 15.1061 28.444 -4.77984 30.1964 4.80596 TIMING: 3065000 CPU: 9686.15, 0.00316051/step Wall: 9686.15, 0.00316051/step, 1.69877 hours remaining, 240.609375 MB of memory in use. ENERGY: 3065000 3973.8054 20477.3899 14421.8012 244.9891 -203445.3990 2746.6733 0.0000 0.0000 51828.0293 -109752.7109 297.8564 -161580.7402 -109393.6436 298.1238 120.7382 147.6333 761647.1736 -8.5076 -8.7172 PRESSURE: 3065200 332.168 46.0369 -7.48801 46.0366 27.2151 182.431 -7.48942 182.431 133.863 GPRESSURE: 3065200 399.376 98.745 14.3837 -10.2747 -6.04284 92.7902 -89.057 144.946 186.722 PRESSAVG: 3065200 -22.0058 -45.3262 -26.5603 -45.3262 -29.6074 -6.62767 -26.5604 -6.62767 6.09691 GPRESSAVG: 3065200 -21.0933 -42.2907 -25.6064 -45.6927 -31.1246 -5.64206 -28.1992 -8.29541 6.62115 TIMING: 3065200 CPU: 9686.78, 0.00314055/step Wall: 9686.78, 0.00314055/step, 1.68787 hours remaining, 240.609375 MB of memory in use. ENERGY: 3065200 3836.5092 20542.5723 14443.1049 242.6386 -203639.0262 2953.8553 0.0000 0.0000 51730.1261 -109890.2199 297.2937 -161620.3460 -109531.5453 298.4646 164.4154 193.3516 760361.8345 -15.1721 -15.1989 PRESSURE: 3065400 -34.2498 90.5577 65.4695 90.5577 -196.298 19.7198 65.4691 19.7198 189.903 GPRESSURE: 3065400 -93.8044 106.349 6.77616 -6.46523 -92.2871 45.6006 181.312 119.667 226.593 PRESSAVG: 3065400 28.279 -7.12374 16.3795 -7.12378 -29.4898 -6.33352 16.3796 -6.33352 14.791 GPRESSAVG: 3065400 27.5541 -8.60194 15.5933 -7.09932 -29.3309 -5.87084 19.5355 -5.28746 15.2187 TIMING: 3065400 CPU: 9687.41, 0.00316253/step Wall: 9687.41, 0.00316253/step, 1.69951 hours remaining, 240.609375 MB of memory in use. ENERGY: 3065400 3955.6892 20453.4028 14529.3435 269.6301 -203412.3051 2489.0447 0.0000 0.0000 51895.8934 -109819.3013 298.2464 -161715.1947 -109452.1590 298.4945 -13.5482 13.5003 762851.7845 4.5267 4.4806 PRESSURE: 3065600 -77.5458 104.204 -89.0741 104.204 -379.89 95.0391 -89.0742 95.0393 -36.5593 GPRESSURE: 3065600 -76.1751 67.2828 -50.8368 54.8273 -314.763 90.249 -34.3513 212.582 -33.4742 PRESSAVG: 3065600 7.55103 -28.1014 -18.5374 -28.1015 -45.1999 -13.1933 -18.5374 -13.1933 1.29973 GPRESSAVG: 3065600 8.40046 -27.4264 -20.2167 -26.1796 -43.5433 -14.7716 -16.941 -15.0005 -0.718931 TIMING: 3065600 CPU: 9688.05, 0.00317661/step Wall: 9688.05, 0.00317661/step, 1.7069 hours remaining, 240.609375 MB of memory in use. ENERGY: 3065600 4052.3611 20418.1561 14388.9111 248.6237 -203548.9948 2516.6457 0.0000 0.0000 52103.9353 -109820.3619 299.4420 -161924.2972 -109462.6011 298.5335 -164.6649 -141.4706 761906.8733 -12.1164 -11.9539 PRESSURE: 3065800 416.406 74.8084 -121.535 74.8084 140.438 206.181 -121.536 206.181 179.052 GPRESSURE: 3065800 401.817 144.778 -204.283 32.4753 227.799 282.372 -182.409 180.887 190.324 PRESSAVG: 3065800 85.8891 -87.7885 9.22716 -87.7885 -52.5486 -43.8738 9.22723 -43.8737 -7.61656 GPRESSAVG: 3065800 84.8728 -88.34 12.2217 -88.8866 -53.5617 -41.7036 6.60843 -44.1584 -5.85907 TIMING: 3065800 CPU: 9688.68, 0.00314955/step Wall: 9688.68, 0.00314955/step, 1.69218 hours remaining, 240.609375 MB of memory in use. ENERGY: 3065800 4041.5790 20648.4765 14516.7679 232.8962 -203764.9272 2653.0037 0.0000 0.0000 52003.5741 -109668.6298 298.8653 -161672.2039 -109310.9553 299.0413 245.2988 273.3135 758803.2539 8.5746 8.4840 PRESSURE: 3066000 -133.531 17.76 -33.4043 17.7602 -232.894 38.3479 -33.4042 38.3478 17.1081 GPRESSURE: 3066000 -126.473 17.3682 12.7513 104.995 -170.347 -38.4407 41.4283 106.877 28.3299 PRESSAVG: 3066000 73.3757 0.198096 -11.4442 0.198114 -27.0624 -31.2306 -11.4442 -31.2306 2.6135 GPRESSAVG: 3066000 74.2473 -0.43097 -12.0322 0.829744 -27.7146 -31.797 -11.7572 -30.2042 2.55344 TIMING: 3066000 CPU: 9689.31, 0.0031593/step Wall: 9689.31, 0.0031593/step, 1.69725 hours remaining, 240.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3066000 3842.7680 20534.6153 14427.8452 241.8334 -203416.4580 2424.2304 0.0000 0.0000 52146.6446 -109798.5212 299.6875 -161945.1657 -109428.8082 299.0953 -116.4386 -89.4967 760647.4552 16.3089 16.3621 PRESSURE: 3066200 -330.26 -129.764 -195.158 -129.764 -279.084 -120.967 -195.159 -120.968 -455.653 GPRESSURE: 3066200 -306.143 -129.041 -234.41 -84.3677 -388.712 -163.047 -162.24 -166.508 -259.91 PRESSAVG: 3066200 31.6772 -41.4079 13.6508 -41.408 -49.3038 -22.2655 13.6507 -22.2656 -0.177086 GPRESSAVG: 3066200 31.0114 -42.4382 12.3351 -39.3889 -49.0391 -23.9509 17.07 -23.5112 0.167995 TIMING: 3066200 CPU: 9689.94, 0.00317431/step Wall: 9689.94, 0.00317431/step, 1.70513 hours remaining, 240.609375 MB of memory in use. ENERGY: 3066200 3996.0937 20675.5687 14443.4191 246.2404 -203395.3799 2459.1148 0.0000 0.0000 51972.3945 -109602.5486 298.6861 -161574.9431 -109247.8865 299.1938 -354.9992 -318.2550 761319.7781 -5.9345 -5.9532 PRESSURE: 3066400 38.6065 -34.9259 319.051 -34.9254 248.484 46.6957 319.051 46.6961 701.938 GPRESSURE: 3066400 28.5474 -78.7911 321.595 -10.8418 344.567 7.14921 325.204 236.179 702.605 PRESSAVG: 3066400 -27.2279 -9.67736 43.4401 -9.67739 5.64965 11.8223 43.4402 11.8223 -2.84568 GPRESSAVG: 3066400 -26.7189 -9.07201 41.5428 -10.6761 7.49676 11.8401 39.8712 12.418 -4.50272 TIMING: 3066400 CPU: 9690.58, 0.00316572/step Wall: 9690.58, 0.00316572/step, 1.70035 hours remaining, 240.609375 MB of memory in use. ENERGY: 3066400 3979.5940 20405.9174 14475.6414 246.4252 -203652.1685 2699.9341 0.0000 0.0000 52286.4137 -109558.2427 300.4907 -161844.6565 -109189.1977 299.3581 329.6763 358.5730 760381.3883 -8.1413 -7.9083 PRESSURE: 3066600 0.343581 -135.091 38.437 -135.092 76.9605 150.682 38.4366 150.682 -35.6463 GPRESSURE: 3066600 95.3343 -41.2614 51.8357 -122.106 38.7147 76.6147 29.5532 82.3691 -18.9122 PRESSAVG: 3066600 33.5275 6.05077 31.6308 6.05071 -14.3217 62.8133 31.6307 62.8133 -12.7655 GPRESSAVG: 3066600 31.754 8.28385 32.7214 4.83188 -14.6269 62.2968 34.3984 64.237 -10.6339 TIMING: 3066600 CPU: 9691.21, 0.00316149/step Wall: 9691.21, 0.00316149/step, 1.6979 hours remaining, 240.609375 MB of memory in use. ENERGY: 3066600 3988.3097 20580.6642 14520.0065 255.9984 -203267.3824 2478.7369 0.0000 0.0000 51869.8261 -109573.8406 298.0966 -161443.6666 -109224.5972 299.3661 13.8859 38.3789 760418.4110 2.1468 2.1644 PRESSURE: 3066800 295.699 64.5156 229.193 64.5148 -285.834 56.6298 229.193 56.6294 163.521 GPRESSURE: 3066800 348.402 181.338 206.447 -6.80052 -282.288 96.8307 188.996 40.6125 189.349 PRESSAVG: 3066800 53.3723 -5.82703 24.3666 -5.8271 -41.9238 24.011 24.3666 24.011 -17.5101 GPRESSAVG: 3066800 53.994 -6.83385 25.2098 -3.64874 -41.5388 24.6481 21.6677 23.0565 -17.8812 TIMING: 3066800 CPU: 9691.84, 0.00314232/step Wall: 9691.84, 0.00314232/step, 1.68743 hours remaining, 240.609375 MB of memory in use. ENERGY: 3066800 3995.3364 20661.7541 14453.9068 220.7775 -203160.1304 2425.1318 0.0000 0.0000 51758.9338 -109644.2900 297.4593 -161403.2238 -109296.8732 298.7368 57.7952 85.1544 761927.1149 -2.0205 -1.8086 PRESSURE: 3067000 -70.3554 -104.635 -149.174 -104.635 331.202 127.641 -149.174 127.641 369.273 GPRESSURE: 3067000 60.489 -188.655 -190.871 -140.209 263.645 153.544 -175.388 81.845 394.895 PRESSAVG: 3067000 28.9526 -85.5197 20.4042 -85.5196 -22.2249 30.2414 20.4041 30.2414 29.8203 GPRESSAVG: 3067000 30.7 -87.4872 19.8026 -85.497 -23.5867 32.1385 19.4452 28.6738 29.984 TIMING: 3067000 CPU: 9692.47, 0.00317083/step Wall: 9692.47, 0.00317083/step, 1.70256 hours remaining, 240.609375 MB of memory in use. ENERGY: 3067000 3982.8846 20525.0293 14467.5210 239.8523 -203569.4015 2503.4639 0.0000 0.0000 52232.3222 -109618.3282 300.1799 -161850.6504 -109248.4032 299.6337 210.0398 239.6764 760215.7514 12.1827 12.3658 PRESSURE: 3067200 189.091 -0.19389 112.585 -0.193608 111.403 -161.7 112.585 -161.701 -20.148 GPRESSURE: 3067200 254.824 12.055 100.704 33.8821 152.748 -215.927 52.3651 -102.921 -39.1389 PRESSAVG: 3067200 25.8998 -47.9719 48.2308 -47.9719 -14.691 60.3425 48.2308 60.3425 5.51197 GPRESSAVG: 3067200 25.8797 -47.899 50.0857 -48.5805 -14.4232 58.3326 48.0263 60.1784 5.31969 TIMING: 3067200 CPU: 9693.11, 0.0031975/step Wall: 9693.11, 0.0031975/step, 1.7167 hours remaining, 240.609375 MB of memory in use. ENERGY: 3067200 3935.0777 20480.7198 14405.0027 251.0398 -203696.1653 2660.0161 0.0000 0.0000 52197.7153 -109766.5940 299.9810 -161964.3092 -109410.4084 299.1863 93.4485 122.8110 761563.0731 5.5736 5.5921 PRESSURE: 3067400 89.0006 -268.269 79.7222 -268.269 -236.02 72.563 79.7226 72.5634 234.297 GPRESSURE: 3067400 84.5075 -310.639 161.814 -286.709 -177.54 85.718 -26.3456 233.531 237.036 PRESSAVG: 3067400 32.7803 -44.2519 10.5103 -44.2519 -74.0811 -19.625 10.5102 -19.6249 -6.92006 GPRESSAVG: 3067400 31.2671 -44.3232 10.4101 -42.8441 -72.3428 -19.1281 12.1294 -16.6765 -6.95545 TIMING: 3067400 CPU: 9693.75, 0.00320997/step Wall: 9693.75, 0.00320997/step, 1.72322 hours remaining, 240.609375 MB of memory in use. ENERGY: 3067400 4018.7854 20438.3591 14400.1736 264.9873 -203033.3718 2295.2093 0.0000 0.0000 52096.2175 -109519.6396 299.3977 -161615.8571 -109155.9153 298.8285 29.0925 48.0011 762020.0196 -16.0736 -16.0104 PRESSURE: 3067600 276.699 83.4847 171.853 83.4848 -81.245 78.2179 171.852 78.2174 217.473 GPRESSURE: 3067600 179.028 47.9793 148.264 -4.09999 14.7141 125.43 253.363 -4.40148 275.465 PRESSAVG: 3067600 73.0853 -31.9364 -41.7277 -31.9364 -46.0973 23.5788 -41.7277 23.5787 12.9575 GPRESSAVG: 3067600 72.9553 -31.1431 -41.4108 -32.3829 -47.1005 23.6396 -40.4666 22.5263 13.784 TIMING: 3067600 CPU: 9694.39, 0.00318702/step Wall: 9694.39, 0.00318702/step, 1.71072 hours remaining, 240.609375 MB of memory in use. ENERGY: 3067600 4022.5655 20695.9324 14410.2831 255.0459 -203266.6874 2479.7264 0.0000 0.0000 52100.6553 -109302.4789 299.4232 -161403.1342 -108941.3485 299.6699 137.6421 156.4024 761176.0286 13.3152 13.2129 PRESSURE: 3067800 253.32 27.0427 202.12 27.0439 -301.779 61.4457 202.12 61.4465 -315.106 GPRESSURE: 3067800 213.598 100.629 138.491 -131.983 -212.379 138.355 179.581 -32.6658 -279.125 PRESSAVG: 3067800 94.5818 -41.8557 5.69791 -41.8557 -53.4768 34.2143 5.69787 34.2143 -31.9816 GPRESSAVG: 3067800 96.0697 -42.3949 2.58838 -43.2336 -53.4589 32.9788 7.37184 33.123 -33.3894 TIMING: 3067800 CPU: 9695.03, 0.00317058/step Wall: 9695.03, 0.00317058/step, 1.70172 hours remaining, 240.609375 MB of memory in use. ENERGY: 3067800 4114.5806 20559.0206 14427.7092 234.7511 -203566.9668 2742.8603 0.0000 0.0000 52099.8301 -109388.2148 299.4184 -161488.0450 -109031.7757 299.4930 -121.1885 -92.6351 762032.9750 3.0411 3.0738 PRESSURE: 3068000 -46.777 243.936 -78.8269 243.937 -288.313 113.612 -78.8268 113.611 57.8241 GPRESSURE: 3068000 27.2831 201.124 -44.6462 187.52 -343.264 73.1537 -63.7535 102.78 132.926 PRESSAVG: 3068000 78.0416 -27.9803 9.72138 -27.9803 -32.1855 48.0691 9.72138 48.0691 -6.85815 GPRESSAVG: 3068000 78.4642 -26.9283 12.2281 -27.5601 -34.6273 49.952 7.5171 48.7863 -5.6757 TIMING: 3068000 CPU: 9695.66, 0.00317364/step Wall: 9695.66, 0.00317364/step, 1.70319 hours remaining, 240.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3068000 4051.2741 20553.8674 14437.7730 240.6550 -203229.4179 2293.7504 0.0000 0.0000 52249.5052 -109402.5927 300.2786 -161652.0979 -109042.2866 299.8101 -92.4221 -61.0184 760190.2211 12.9993 12.7204 PRESSURE: 3068200 56.8215 2.52875 -20.6774 2.52801 116.89 -115.393 -20.6772 -115.393 238.907 GPRESSURE: 3068200 58.2881 107.922 63.9668 -6.59774 170.728 -37.6268 -53.4065 -116.936 276.072 PRESSAVG: 3068200 34.8048 -20.9319 -54.3152 -20.9319 -33.5967 26.589 -54.3152 26.589 13.75 GPRESSAVG: 3068200 33.6074 -20.4763 -54.726 -21.5792 -32.0267 27.6124 -53.3819 24.5192 13.6276 TIMING: 3068200 CPU: 9696.29, 0.00315589/step Wall: 9696.29, 0.00315589/step, 1.69349 hours remaining, 240.609375 MB of memory in use. ENERGY: 3068200 4020.7791 20422.5143 14439.1180 240.5632 -203340.1677 2661.1366 0.0000 0.0000 52289.3548 -109266.7017 300.5076 -161556.0565 -108902.4963 299.8406 137.5395 168.3625 761786.8900 4.9860 5.0694 LDB: ============= START OF LOAD BALANCING ============== 9708.69 LDB: ============== END OF LOAD BALANCING =============== 9708.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9708.69 LDB: ============= START OF LOAD BALANCING ============== 9709.01 LDB: Largest compute 7059 load 0.033138 is 16.9% of average load 0.195995 LDB: Average compute 0.004401 is 2.2% of average load 0.195995 LDB: TIME 9709.01 LOAD: AVG 0.195995 MAX 0.219982 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 9709.01 LOAD: AVG 0.195995 MAX 0.219982 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 9709.01 LOAD: AVG 0.195995 MAX 0.219982 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 9709.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9709.02 PRESSURE: 3068400 135.755 -25.6995 221.256 -25.6997 -102.14 55.2947 221.256 55.2937 -63.8101 GPRESSURE: 3068400 165.444 31.4331 228.851 -115.129 -14.5411 54.2977 174.656 -22.8092 -96.9102 PRESSAVG: 3068400 47.6966 -53.3352 28.9829 -53.3352 -73.535 53.2799 28.9829 53.2799 -14.9318 GPRESSAVG: 3068400 48.3774 -54.5929 30.8217 -53.4724 -73.4755 53.2269 26.3829 53.3267 -15.4944 TIMING: 3068400 CPU: 9696.94, 0.00322288/step Wall: 9696.94, 0.00322288/step, 1.72926 hours remaining, 238.925781 MB of memory in use. ENERGY: 3068400 3964.7528 20518.3827 14421.3192 273.0552 -203018.0682 2250.0441 0.0000 0.0000 52344.3595 -109246.1548 300.8238 -161590.5143 -108871.7978 300.5031 -10.0649 17.9975 761940.2703 -13.5901 -13.5308 PRESSURE: 3068600 90.7008 -26.0639 272.528 -26.0648 -9.6467 -68.7832 272.529 -68.7831 35.1351 GPRESSURE: 3068600 55.2579 -69.4734 222.285 -35.7638 27.9561 -26.5359 197.667 19.7925 118.324 PRESSAVG: 3068600 72.8841 -35.795 35.6101 -35.795 -57.3755 -21.5664 35.6101 -21.5663 -4.57908 GPRESSAVG: 3068600 72.7775 -36.0155 34.9378 -32.989 -57.4612 -23.7974 35.6829 -22.837 -4.31791 TIMING: 3068600 CPU: 9697.57, 0.00319091/step Wall: 9697.57, 0.0031909/step, 1.71192 hours remaining, 239.070312 MB of memory in use. ENERGY: 3068600 3919.2257 20505.4767 14427.0579 237.9945 -203489.2227 2737.7257 0.0000 0.0000 52285.4349 -109376.3072 300.4851 -161661.7421 -109008.0557 299.9759 38.7297 67.1794 760725.1799 3.6432 3.6661 PRESSURE: 3068800 72.1746 -7.82251 -161.394 -7.82338 -4.10196 67.2381 -161.395 67.2387 242.583 GPRESSURE: 3068800 112.08 55.5739 -157.872 46.9784 -24.0134 87.7923 -127.817 4.17429 310.385 PRESSAVG: 3068800 62.5892 -49.5661 1.61374 -49.5661 -12.4854 -50.2816 1.61375 -50.2816 -5.79835 GPRESSAVG: 3068800 63.4133 -48.8898 1.6153 -51.5441 -13.0467 -49.7288 1.26655 -47.5923 -5.52891 TIMING: 3068800 CPU: 9698.21, 0.0031626/step Wall: 9698.21, 0.0031626/step, 1.69656 hours remaining, 239.070312 MB of memory in use. ENERGY: 3068800 3995.7949 20486.1128 14427.3094 262.1244 -203142.9241 2663.6491 0.0000 0.0000 51953.9513 -109353.9821 298.5801 -161307.9335 -108999.0921 299.6798 103.5518 132.8169 760986.1574 14.7685 14.9459 PRESSURE: 3069000 261.36 249.803 -25.661 249.804 -96.6972 102.601 -25.6609 102.6 284.672 GPRESSURE: 3069000 312.718 180.776 11.9153 237.66 -65.7198 78.8702 -47.212 147.851 274.849 PRESSAVG: 3069000 40.669 -75.2851 -6.48269 -75.2851 -80.3421 19.8886 -6.48266 19.8887 -2.37798 GPRESSAVG: 3069000 40.3157 -76.069 -6.43242 -75.8303 -79.2537 20.357 -4.68232 20.2408 -2.84159 TIMING: 3069000 CPU: 9698.84, 0.00316869/step Wall: 9698.84, 0.00316869/step, 1.69965 hours remaining, 239.070312 MB of memory in use. ENERGY: 3069000 3948.2752 20481.7788 14460.7070 248.8695 -202816.3422 2347.6535 0.0000 0.0000 51809.3867 -109519.6715 297.7493 -161329.0582 -109155.7617 298.9456 149.7781 173.9489 760685.4152 -14.0170 -13.9265 PRESSURE: 3069200 -289.601 -225.635 -317.583 -225.636 -142.729 43.8529 -317.583 43.8531 148.121 GPRESSURE: 3069200 -258.385 -159.211 -282.951 -125.703 -66.1313 111.18 -223.59 63.4851 110.825 PRESSAVG: 3069200 -42.1688 -74.7252 -22.6664 -74.7252 7.67126 -12.1224 -22.6664 -12.1225 -8.17763 GPRESSAVG: 3069200 -42.4975 -73.4408 -24.1263 -75.3081 7.86186 -12.7845 -22.206 -12.0794 -8.47239 TIMING: 3069200 CPU: 9699.48, 0.00317889/step Wall: 9699.48, 0.00317889/step, 1.70494 hours remaining, 239.070312 MB of memory in use. ENERGY: 3069200 4056.2782 20587.0435 14408.2172 244.4899 -203274.7769 2598.9590 0.0000 0.0000 52051.5708 -109328.2183 299.1411 -161379.7891 -108972.9729 299.0074 -94.7363 -71.2303 760963.9267 -14.2251 -14.3693 PRESSURE: 3069400 -89.162 -36.6732 -66.2002 -36.6741 -124.334 -161.656 -66.2003 -161.656 -175.729 GPRESSURE: 3069400 -115.488 -21.4809 -87.7605 -6.12574 -65.5535 -339.311 -88.6553 -28.3998 -119.783 PRESSAVG: 3069400 -33.9773 -30.3737 -50.7532 -30.3737 19.8902 -31.3988 -50.7532 -31.3989 32.718 GPRESSAVG: 3069400 -35.7765 -31.397 -47.7856 -28.8899 20.7746 -30.6191 -51.5347 -32.5679 34.1543 TIMING: 3069400 CPU: 9700.11, 0.00317286/step Wall: 9700.11, 0.00317286/step, 1.70154 hours remaining, 239.070312 MB of memory in use. ENERGY: 3069400 3958.6589 20585.7445 14445.2856 241.4165 -203493.6905 2727.2742 0.0000 0.0000 51935.3871 -109599.9237 298.4734 -161535.3108 -109236.2774 299.3958 -129.7417 -100.2749 761348.5881 6.2103 6.3841 PRESSURE: 3069600 81.589 -154.202 247.835 -154.202 -163.881 -68.7978 247.835 -68.7964 14.4269 GPRESSURE: 3069600 -2.55127 -139.884 258.223 -74.6649 -93.3943 -110.042 240.181 11.374 117.466 PRESSAVG: 3069600 -36.6438 -52.4658 -16.9868 -52.4659 14.2743 -25.9418 -16.9868 -25.9417 -15.3224 GPRESSAVG: 3069600 -35.378 -52.0315 -18.1599 -52.3396 12.8245 -27.3269 -16.9782 -26.3119 -14.7517 TIMING: 3069600 CPU: 9700.75, 0.00317353/step Wall: 9700.75, 0.00317353/step, 1.70172 hours remaining, 239.070312 MB of memory in use. ENERGY: 3069600 3980.6838 20468.5937 14400.0431 236.8609 -202976.2957 2384.1887 0.0000 0.0000 51990.4835 -109515.4419 298.7900 -161505.9254 -109153.4766 298.9934 -22.6215 7.1734 762658.8140 -12.5640 -12.4351 PRESSURE: 3069800 -117.849 23.5279 6.00163 23.5282 -32.6099 78.7098 6.00158 78.7102 220.834 GPRESSURE: 3069800 -18.8725 -62.2049 0.483552 14.0748 -64.7784 42.2805 -18.1243 133.027 231.616 PRESSAVG: 3069800 -36.5358 -43.6585 26.2102 -43.6584 -1.32869 -38.9571 26.2102 -38.9571 10.4243 GPRESSAVG: 3069800 -36.7082 -44.0855 25.2111 -43.613 -0.734935 -36.5516 24.4801 -36.7644 9.61054 TIMING: 3069800 CPU: 9701.38, 0.00317159/step Wall: 9701.38, 0.00317159/step, 1.7005 hours remaining, 239.070312 MB of memory in use. ENERGY: 3069800 4054.8972 20422.9212 14326.1316 247.2408 -202977.9486 2396.3930 0.0000 0.0000 51954.5738 -109575.7910 298.5836 -161530.3648 -109197.7198 298.3788 23.4583 49.3218 763200.6222 -9.1467 -9.2775 PRESSURE: 3070000 -324.979 127.505 84.8675 127.506 -248.655 18.637 84.8676 18.6357 -47.4052 GPRESSURE: 3070000 -184.284 212.477 98.5176 98.7856 -293.131 5.33888 31.5766 -12.2656 -78.4939 PRESSAVG: 3070000 38.6265 -44.8581 -35.3564 -44.8581 -23.5649 -74.3645 -35.3564 -74.3645 -21.1036 GPRESSAVG: 3070000 41.2502 -43.6019 -34.9915 -46.1807 -26.0113 -73.7989 -34.5967 -75.2906 -21.2396 TIMING: 3070000 CPU: 9702.01, 0.00316099/step Wall: 9702.01, 0.00316099/step, 1.69464 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3070000 4020.4061 20649.8391 14406.9146 244.7731 -203167.7033 2473.8221 0.0000 0.0000 51752.5468 -109619.4016 297.4226 -161371.9483 -109261.3593 298.9026 -207.0132 -185.3030 762586.9888 -2.0140 -2.0003 PRESSURE: 3070200 -135.869 174.496 213.756 174.496 -135.156 40.4585 213.756 40.4576 -409.444 GPRESSURE: 3070200 -68.4247 172.289 143.415 96.3013 -121.038 52.1874 153.581 119.565 -408.88 PRESSAVG: 3070200 44.339 -87.5822 -16.9738 -87.5822 -32.7101 -4.1976 -16.9738 -4.19759 7.96458 GPRESSAVG: 3070200 42.5327 -85.8278 -15.8359 -88.8844 -30.186 -6.01133 -18.2016 -4.019 7.07695 TIMING: 3070200 CPU: 9702.65, 0.00317162/step Wall: 9702.65, 0.00317162/step, 1.70016 hours remaining, 239.070312 MB of memory in use. ENERGY: 3070200 3943.3182 20542.0572 14429.5724 228.5626 -202859.4579 2215.5586 0.0000 0.0000 51813.1317 -109687.2572 297.7708 -161500.3889 -109331.4487 299.0506 -226.8230 -199.4475 761612.9944 6.5312 6.4746 PRESSURE: 3070400 -343.432 -275.789 -79.4535 -275.789 -89.0422 -119.583 -79.4531 -119.583 -261.173 GPRESSURE: 3070400 -346.534 -252.073 -94.8595 -148.541 0.354599 -113.123 18.5986 -121.192 -262.06 PRESSAVG: 3070400 1.80565 -74.7575 -10.7074 -74.7575 17.5586 -15.5011 -10.7075 -15.5011 8.7789 GPRESSAVG: 3070400 1.75743 -74.4438 -11.092 -72.7988 18.2306 -17.127 -8.06462 -15.4538 8.38329 TIMING: 3070400 CPU: 9703.28, 0.00315015/step Wall: 9703.28, 0.00315015/step, 1.68848 hours remaining, 239.070312 MB of memory in use. ENERGY: 3070400 3919.4957 20511.7771 14368.8536 228.2778 -202938.4369 2204.7202 0.0000 0.0000 51970.3823 -109734.9302 298.6745 -161705.3125 -109370.1648 298.5351 -231.2155 -202.7465 761104.5071 9.3811 9.4571 PRESSURE: 3070600 -219.266 -180.584 114.564 -180.583 -691.19 341.277 114.564 341.278 -197.33 GPRESSURE: 3070600 -215.911 -193.463 82.9391 -136.71 -627.431 364.097 111.923 283.439 -164.226 PRESSAVG: 3070600 21.6133 -58.7855 -17.2518 -58.7856 -57.6642 7.08777 -17.2517 7.08775 -22.0258 GPRESSAVG: 3070600 20.1337 -59.644 -20.254 -60.6969 -57.7624 8.31435 -17.4509 9.07337 -20.4856 TIMING: 3070600 CPU: 9703.91, 0.00317105/step Wall: 9703.91, 0.00317105/step, 1.69951 hours remaining, 239.070312 MB of memory in use. ENERGY: 3070600 3991.5624 20600.8359 14398.6224 224.0980 -203007.6895 2215.2484 0.0000 0.0000 51808.2592 -109769.0631 297.7428 -161577.3223 -109403.9735 298.4859 -369.2620 -335.8559 760700.9012 -19.3589 -19.3714 PRESSURE: 3070800 258.884 -177.205 39.625 -177.205 9.42526 207.575 39.6261 207.575 -72.7908 GPRESSURE: 3070800 303.948 -244.325 -24.2884 -93.8772 -40.6305 179.322 4.19094 116.598 30.852 PRESSAVG: 3070800 10.526 -63.9688 -37.7488 -63.9689 -22.6412 23.893 -37.7488 23.893 -12.3955 GPRESSAVG: 3070800 11.3508 -65.7557 -35.4393 -61.8974 -22.6091 24.9433 -39.5461 19.9628 -12.2678 TIMING: 3070800 CPU: 9704.54, 0.003169/step Wall: 9704.54, 0.003169/step, 1.69823 hours remaining, 239.070312 MB of memory in use. ENERGY: 3070800 3921.4284 20362.3708 14390.6465 243.1627 -203214.2950 2574.5588 0.0000 0.0000 51916.1228 -109806.0050 298.3627 -161722.1278 -109442.0542 298.2767 65.1729 98.0565 761598.8275 -8.1702 -7.8420 PRESSURE: 3071000 -223.444 -144.795 147.999 -144.796 143.37 -80.3674 147.998 -80.3677 -51.9075 GPRESSURE: 3071000 -106.388 -239.236 224.372 -124.419 118.256 -104.276 92.7866 -69.351 -83.5507 PRESSAVG: 3071000 -22.9694 -82.8475 -17.0821 -82.8475 -1.09539 0.0371197 -17.0822 0.0372092 -12.1851 GPRESSAVG: 3071000 -22.9975 -81.2307 -17.3488 -84.362 -1.91082 0.0505709 -17.8571 1.16153 -11.7819 TIMING: 3071000 CPU: 9705.18, 0.00316337/step Wall: 9705.18, 0.00316337/step, 1.69504 hours remaining, 239.070312 MB of memory in use. ENERGY: 3071000 3958.0200 20439.8998 14358.4499 256.3791 -203090.3001 2209.6083 0.0000 0.0000 51960.3052 -109907.6378 298.6166 -161867.9430 -109548.0131 298.3686 -43.9937 -23.8944 761287.8155 -12.0833 -12.2301 PRESSURE: 3071200 -375.076 -242.772 431.459 -242.772 -279.449 141.779 431.459 141.778 123.156 GPRESSURE: 3071200 -360.54 -169.698 372.229 -80.5285 -212.036 84.3025 419.009 141.691 141.635 PRESSAVG: 3071200 -48.0864 -47.6947 -7.22004 -47.6947 35.9461 -7.39162 -7.22009 -7.39161 -9.72673 GPRESSAVG: 3071200 -47.4894 -47.067 -7.49555 -47.7851 35.543 -8.08683 -5.301 -6.80279 -9.79762 TIMING: 3071200 CPU: 9705.81, 0.00316598/step Wall: 9705.81, 0.00316598/step, 1.69626 hours remaining, 239.070312 MB of memory in use. ENERGY: 3071200 3993.4209 20552.9791 14333.7033 242.1762 -203587.2748 2445.6004 0.0000 0.0000 52165.4171 -109853.9778 299.7954 -162019.3949 -109490.4973 298.4205 -177.1233 -143.6471 760900.9851 -7.2890 -7.2480 PRESSURE: 3071400 89.0011 -116.896 -39.547 -116.897 -240.384 172.272 -39.5472 172.272 -19.1729 GPRESSURE: 3071400 -13.4701 -114.446 86.8962 -129.976 -143.329 158.514 -11.1119 208.216 66.984 PRESSAVG: 3071400 -54.2555 -54.3118 1.27446 -54.3119 37.126 -3.41668 1.27454 -3.41666 14.854 GPRESSAVG: 3071400 -53.8027 -56.7428 1.95142 -51.7866 37.7485 -1.69269 1.99452 -4.21714 13.9527 TIMING: 3071400 CPU: 9706.44, 0.00316709/step Wall: 9706.44, 0.00316709/step, 1.69668 hours remaining, 239.070312 MB of memory in use. ENERGY: 3071400 3962.6784 20510.5724 14414.1249 257.4199 -203398.2219 2632.6463 0.0000 0.0000 51883.5812 -109737.1988 298.1757 -161620.7800 -109368.4874 298.4039 -56.8519 -29.9385 761067.2112 -0.7585 -0.7005 PRESSURE: 3071600 53.1235 16.4802 -84.4161 16.4802 258.664 -29.9474 -84.4162 -29.948 29.711 GPRESSURE: 3071600 125.026 -42.4796 -37.9732 33.0671 214.33 -152.737 -165.592 61.0933 71.2048 PRESSAVG: 3071600 34.9469 -3.81195 44.8486 -3.81206 -40.3245 24.4686 44.8486 24.4686 24.6091 GPRESSAVG: 3071600 36.2953 -1.76508 46.8063 -5.94314 -40.1137 22.0079 43.2516 26.1303 22.8065 TIMING: 3071600 CPU: 9707.08, 0.0031923/step Wall: 9707.08, 0.0031923/step, 1.71001 hours remaining, 239.070312 MB of memory in use. ENERGY: 3071600 4005.1437 20582.0936 14341.9571 258.4130 -203436.3104 2802.0596 0.0000 0.0000 51776.7564 -109669.8869 297.5617 -161446.6433 -109313.1344 299.1628 113.8329 136.8536 761480.9201 6.4105 6.3293 PRESSURE: 3071800 -132.045 -115.262 -43.8078 -115.263 136.843 -7.32184 -43.8075 -7.32225 259.736 GPRESSURE: 3071800 -50.1021 -61.6236 -5.06788 -101.872 116.023 -107.583 -51.3494 50.4182 286.735 PRESSAVG: 3071800 -28.5494 46.9932 52.2047 46.9932 51.3148 -31.3243 52.2047 -31.3242 7.77153 GPRESSAVG: 3071800 -32.0303 45.4264 50.3763 47.7591 52.0178 -31.6518 52.2729 -31.6052 10.1062 TIMING: 3071800 CPU: 9707.72, 0.00317054/step Wall: 9707.72, 0.00317054/step, 1.69818 hours remaining, 239.070312 MB of memory in use. ENERGY: 3071800 3996.9437 20566.1609 14384.0953 231.1678 -203405.3611 2549.8260 0.0000 0.0000 52112.1225 -109565.0449 299.4891 -161677.1674 -109204.9411 299.4816 88.1776 117.5520 761730.4253 10.1790 10.0312 PRESSURE: 3072000 -363.789 299.102 75.4078 299.102 247.433 25.3964 75.4076 25.3959 -234.665 GPRESSURE: 3072000 -255.255 393.269 26.7824 194.634 238.477 -18.0376 76.1159 -16.9345 -233.173 PRESSAVG: 3072000 -57.1511 -30.52 40.6881 -30.52 9.14496 -2.9176 40.6881 -2.91755 11.397 GPRESSAVG: 3072000 -54.8302 -30.1389 41.5057 -31.4301 7.89335 -2.13469 38.9577 -2.7266 10.0344 TIMING: 3072000 CPU: 9708.35, 0.00319298/step Wall: 9708.35, 0.00319299/step, 1.71002 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3072000 3980.9171 20419.1113 14473.4434 265.6623 -203225.1538 2520.0155 0.0000 0.0000 51940.9763 -109625.0278 298.5055 -161566.0042 -109267.0814 299.2798 -117.0071 -83.3170 759987.4729 -12.2030 -12.3008 PRESSURE: 3072200 5.62593 -24.3074 -163.454 -24.3077 279.492 36.6481 -163.454 36.648 18.1573 GPRESSURE: 3072200 127.013 -64.6166 -99.2687 58.3578 213.987 18.8572 -158.967 116.293 50.9454 PRESSAVG: 3072200 -37.543 -13.9068 1.93015 -13.9068 27.4092 7.37333 1.9301 7.37329 8.30936 GPRESSAVG: 3072200 -37.543 -12.7079 1.25198 -13.3691 26.8532 8.83531 5.25836 4.56094 8.68099 TIMING: 3072200 CPU: 9708.99, 0.00318116/step Wall: 9708.99, 0.00318116/step, 1.70351 hours remaining, 239.070312 MB of memory in use. ENERGY: 3072200 3977.5800 20594.0633 14399.1439 241.1820 -203538.7127 2622.9629 0.0000 0.0000 52245.8412 -109457.9393 300.2576 -161703.7805 -109100.4559 299.1025 101.0917 130.6486 759931.9375 -0.6081 -0.6696 LDB: ============= START OF LOAD BALANCING ============== 9721.39 LDB: ============== END OF LOAD BALANCING =============== 9721.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9721.39 LDB: ============= START OF LOAD BALANCING ============== 9721.71 LDB: Largest compute 7031 load 0.033120 is 16.9% of average load 0.196059 LDB: Average compute 0.004393 is 2.2% of average load 0.196059 LDB: TIME 9721.71 LOAD: AVG 0.196059 MAX 0.218225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.645 MB LDB: TIME 9721.71 LOAD: AVG 0.196059 MAX 0.218225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.715 MB LDB: TIME 9721.71 LOAD: AVG 0.196059 MAX 0.218225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.715 MB LDB: ============== END OF LOAD BALANCING =============== 9721.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9721.72 PRESSURE: 3072400 -215.872 -20.9789 -158.289 -20.98 38.9126 67.1431 -158.288 67.142 17.6492 GPRESSURE: 3072400 -225.719 75.5148 -185.213 -0.773047 122.141 30.2218 -291.795 12.4244 35.2984 PRESSAVG: 3072400 16.9198 -45.0027 11.1609 -45.0027 29.289 -9.97914 11.1609 -9.97913 9.26373 GPRESSAVG: 3072400 16.8131 -45.0733 10.7616 -45.9872 29.2392 -11.6628 10.1675 -7.35656 9.86074 TIMING: 3072400 CPU: 9709.64, 0.0032336/step Wall: 9709.64, 0.0032336/step, 1.73141 hours remaining, 237.843750 MB of memory in use. ENERGY: 3072400 3982.7781 20479.1092 14403.8163 248.0651 -203372.6187 2475.5970 0.0000 0.0000 51914.7220 -109868.5310 298.3546 -161783.2530 -109501.7292 299.4145 -53.1033 -22.7601 760277.5551 18.4908 18.6377 PRESSURE: 3072600 -30.1806 144.719 139.501 144.719 -71.3607 -19.4137 139.501 -19.4139 -13.6952 GPRESSURE: 3072600 -98.6045 100.166 108.888 172.668 109.438 -6.73702 29.4572 -103.452 -55.0662 PRESSAVG: 3072600 -22.3663 -20.2796 20.8328 -20.2796 19.6772 21.1179 20.8329 21.1179 15.2653 GPRESSAVG: 3072600 -23.2503 -21.6514 19.7177 -18.9083 21.304 20.8575 21.9936 21.4624 14.2636 TIMING: 3072600 CPU: 9710.27, 0.00314539/step Wall: 9710.27, 0.00314539/step, 1.68401 hours remaining, 238.046875 MB of memory in use. ENERGY: 3072600 3950.0402 20486.4451 14451.6348 260.0708 -203863.0396 2816.2435 0.0000 0.0000 52159.9133 -109738.6919 299.7637 -161898.6052 -109371.4568 299.2621 -38.4121 -14.7443 762099.5545 4.1921 4.1058 PRESSURE: 3072800 -366.971 -190.982 46.1894 -190.982 -292.764 -3.87781 46.1892 -3.87932 -70.0058 GPRESSURE: 3072800 -321.049 -129.466 79.1494 -83.2739 -230.578 24.1814 -50.2918 -9.26793 -84.8901 PRESSAVG: 3072800 -22.4505 -56.1577 22.3872 -56.1576 18.124 23.3277 22.3872 23.3277 8.21347 GPRESSAVG: 3072800 -22.458 -54.9499 23.4708 -56.8827 17.6402 23.8923 20.6075 23.0203 9.00553 TIMING: 3072800 CPU: 9710.9, 0.00315595/step Wall: 9710.9, 0.00315595/step, 1.68949 hours remaining, 238.046875 MB of memory in use. ENERGY: 3072800 4002.8655 20452.0587 14367.8579 242.7173 -203418.2010 2442.2810 0.0000 0.0000 52071.8178 -109838.6030 299.2575 -161910.4207 -109481.1454 298.5697 -243.2471 -212.1722 762442.8475 1.2956 1.3959 PRESSURE: 3073000 18.1012 -27.2834 -22.3416 -27.2841 -167.269 190.504 -22.3411 190.504 -721.142 GPRESSURE: 3073000 4.62576 -23.0662 -166.609 82.5894 -89.3819 179.497 51.8892 124.708 -698.034 PRESSAVG: 3073000 -9.35928 -24.2223 38.1872 -24.2223 7.59616 -7.96887 38.1872 -7.96899 -32.8088 GPRESSAVG: 3073000 -9.40811 -24.0099 37.3967 -25.1412 8.15466 -9.0093 38.1015 -6.27244 -32.955 TIMING: 3073000 CPU: 9711.53, 0.00316239/step Wall: 9711.53, 0.00316239/step, 1.69276 hours remaining, 238.046875 MB of memory in use. ENERGY: 3073000 4042.9790 20697.6722 14330.0176 233.9796 -203183.4466 2316.1698 0.0000 0.0000 52020.7220 -109541.9064 298.9638 -161562.6284 -109181.0190 298.8451 -290.1032 -260.9301 763648.4400 -11.5240 -11.4028 PRESSURE: 3073200 -256.232 35.9928 410.467 35.9928 222.333 -362.09 410.466 -362.09 -9.49288 GPRESSURE: 3073200 -246.812 34.8436 359.692 18.7651 314.846 -347.556 376.679 -272.882 -31.7159 PRESSAVG: 3073200 -60.7816 -33.8955 44.3445 -33.8954 -2.17268 -36.9357 44.3446 -36.9357 -0.141995 GPRESSAVG: 3073200 -60.7094 -34.01 43.8138 -32.2044 -2.70947 -35.9866 45.3863 -39.0664 -0.120983 TIMING: 3073200 CPU: 9712.16, 0.0031418/step Wall: 9712.16, 0.0031418/step, 1.68156 hours remaining, 238.046875 MB of memory in use. ENERGY: 3073200 4000.2962 20713.0303 14341.1157 253.0615 -203573.1663 2856.7060 0.0000 0.0000 52191.9735 -109216.9832 299.9480 -161408.9567 -108855.9941 299.2367 -14.4640 12.1060 761314.0327 -21.0321 -21.1800 PRESSURE: 3073400 -64.0862 -42.0932 -162.095 -42.0926 41.1222 54.9149 -162.094 54.9142 -1.52747 GPRESSURE: 3073400 -61.5545 46.8596 -54.3498 -3.13467 50.7265 94.0879 -45.4325 84.8389 61.9944 PRESSAVG: 3073400 -27.8595 -31.7896 37.7345 -31.7896 16.523 -37.9408 37.7345 -37.9408 -13.292 GPRESSAVG: 3073400 -27.5663 -31.5116 40.0188 -32.8938 16.451 -38.1202 38.2285 -39.9654 -12.6679 TIMING: 3073400 CPU: 9712.79, 0.00315019/step Wall: 9712.79, 0.00315019/step, 1.68588 hours remaining, 238.046875 MB of memory in use. ENERGY: 3073400 4069.1839 20590.6929 14375.3410 233.1174 -203053.3395 2608.7121 0.0000 0.0000 52168.7132 -109007.5790 299.8143 -161176.2922 -108644.8740 299.7672 -8.1638 17.0554 762003.9293 -8.2095 -7.9277 PRESSURE: 3073600 -324.947 168.823 -324.059 168.823 164.477 -85.3924 -324.059 -85.3922 -218.6 GPRESSURE: 3073600 -244.726 149.427 -234.362 185.589 199.124 -84.6366 -223.556 -75.8376 -235.916 PRESSAVG: 3073600 11.1856 -3.50453 20.3992 -3.50452 -11.9048 -12.1921 20.3992 -12.1921 -4.84436 GPRESSAVG: 3073600 12.543 -2.6787 19.3328 -5.0853 -11.524 -11.8585 19.9955 -10.8462 -6.80461 TIMING: 3073600 CPU: 9713.42, 0.00315068/step Wall: 9713.42, 0.00315068/step, 1.68596 hours remaining, 238.046875 MB of memory in use. ENERGY: 3073600 3917.2615 20650.7166 14538.3449 248.0918 -202974.2310 2433.7629 0.0000 0.0000 52044.9653 -109141.0880 299.1031 -161186.0533 -108772.2352 300.2625 -126.3569 -93.8395 760943.5499 -1.8545 -1.9286 PRESSURE: 3073800 181.117 -207.393 -253.38 -207.393 -315.98 -177.592 -253.379 -177.592 -490.438 GPRESSURE: 3073800 178.741 -204.29 -195.155 -263.455 -249.452 -169.78 -281.515 -276.563 -461.335 PRESSAVG: 3073800 28.2591 -0.680222 -52.4024 -0.680251 -22.8829 21.0952 -52.4024 21.0952 19.5707 GPRESSAVG: 3073800 27.1226 -1.92665 -51.7891 1.7527 -22.8689 19.7997 -53.695 22.9512 20.5606 TIMING: 3073800 CPU: 9714.05, 0.00314693/step Wall: 9714.05, 0.00314693/step, 1.68378 hours remaining, 238.046875 MB of memory in use. ENERGY: 3073800 3966.6770 20540.1642 14396.5045 256.8465 -203002.8522 2284.2475 0.0000 0.0000 52151.3437 -109407.0688 299.7145 -161558.4125 -109046.8607 299.6027 -208.4335 -177.3486 761316.2617 8.3157 8.2714 PRESSURE: 3074000 -280.665 -134.237 83.9752 -134.236 -347.645 -220.367 83.9753 -220.367 -9.02674 GPRESSURE: 3074000 -266.651 -25.7335 80.683 -65.8856 -216.187 -164.266 63.8979 -264.258 -82.3626 PRESSAVG: 3074000 63.653 36.9189 -4.64889 36.9189 -28.793 4.70688 -4.64887 4.70686 4.53492 GPRESSAVG: 3074000 62.854 39.5152 -4.28819 36.108 -28.1896 4.44962 -3.49236 2.48836 4.3571 TIMING: 3074000 CPU: 9714.68, 0.00313314/step Wall: 9714.68, 0.00313314/step, 1.67623 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3074000 3943.7219 20426.0514 14448.5840 241.6254 -203166.4426 2386.6493 0.0000 0.0000 52206.9521 -109512.8585 300.0341 -161719.8106 -109153.3758 298.8970 -212.4456 -188.3999 761241.8872 13.1316 13.0072 PRESSURE: 3074200 -402.672 50.0462 -70.9084 50.047 -82.4427 -28.7605 -70.9088 -28.7614 20.4608 GPRESSURE: 3074200 -405.327 -4.39407 -167.462 49.9635 -33.9544 -86.1081 -45.7979 47.5069 56.9916 PRESSAVG: 3074200 17.5624 17.494 -57.8251 17.494 -58.4702 -22.5507 -57.8252 -22.5508 15.4858 GPRESSAVG: 3074200 18.0482 14.8388 -58.8311 18.2207 -58.2212 -22.8902 -57.7324 -20.4888 15.0784 TIMING: 3074200 CPU: 9715.3, 0.00313788/step Wall: 9715.3, 0.00313788/step, 1.67859 hours remaining, 238.046875 MB of memory in use. ENERGY: 3074200 3958.6055 20466.1089 14459.6028 247.3303 -202832.6284 2313.0638 0.0000 0.0000 51753.0911 -109634.8259 297.4257 -161387.9170 -109279.8423 298.9998 -154.8848 -127.4299 761863.0250 -8.4740 -8.3649 PRESSURE: 3074400 -64.905 -96.9083 -89.8205 -96.9087 -149.827 -11.9272 -89.8197 -11.9271 59.1084 GPRESSURE: 3074400 2.45772 -118.209 -41.4684 -126.945 -168.005 -1.01944 -57.618 -19.6592 99.8617 PRESSAVG: 3074400 -9.55292 -10.7075 -68.3982 -10.7075 -18.8947 -7.07292 -68.3981 -7.07292 -10.7578 GPRESSAVG: 3074400 -9.15448 -10.6189 -68.1672 -10.6181 -19.5899 -5.91026 -68.8312 -8.62496 -10.5334 TIMING: 3074400 CPU: 9715.94, 0.0031786/step Wall: 9715.94, 0.0031786/step, 1.7002 hours remaining, 238.046875 MB of memory in use. ENERGY: 3074400 3999.0613 20418.9788 14415.3456 233.4375 -203153.9202 2411.8938 0.0000 0.0000 51999.8576 -109675.3455 298.8439 -161675.2031 -109306.0263 298.7643 -51.8745 -21.8953 761563.9101 -13.0685 -13.0926 PRESSURE: 3074600 77.4984 -25.1424 -262.04 -25.1423 84.7622 138.615 -262.04 138.615 -265.409 GPRESSURE: 3074600 62.4647 103.304 -306.042 -29.5011 172.829 132.939 -172.388 1.10039 -254.827 PRESSAVG: 3074600 5.57167 23.0848 -7.88388 23.0849 10.4102 -8.45327 -7.88386 -8.45324 -16.7641 GPRESSAVG: 3074600 6.2889 23.6246 -7.61519 20.8993 10.3276 -9.00866 -5.99316 -9.41508 -17.2721 TIMING: 3074600 CPU: 9716.57, 0.00314698/step Wall: 9716.57, 0.00314698/step, 1.68311 hours remaining, 238.046875 MB of memory in use. ENERGY: 3074600 3909.4455 20328.0773 14425.6462 250.3514 -203513.9823 2704.9919 0.0000 0.0000 52387.7852 -109507.6847 301.0733 -161895.4699 -109146.5112 299.4309 -34.3828 -6.5112 761467.9299 -0.2607 -0.2185 PRESSURE: 3074800 177.431 -33.9578 205.503 -33.9567 -173.973 -54.5649 205.503 -54.5635 18.1544 GPRESSURE: 3074800 86.429 -82.6788 106.106 134.842 -38.4914 -21.5068 86.5034 115.782 59.0502 PRESSAVG: 3074800 21.0665 -0.242525 9.14978 -0.242542 -10.2557 -47.7643 9.14975 -47.7643 -15.8977 GPRESSAVG: 3074800 21.059 -0.619714 7.71609 1.45355 -10.7545 -47.5664 7.48838 -47.5434 -15.9278 TIMING: 3074800 CPU: 9717.19, 0.0031255/step Wall: 9717.19, 0.0031255/step, 1.67145 hours remaining, 238.046875 MB of memory in use. ENERGY: 3074800 3930.6915 20600.9361 14439.8660 244.6963 -203207.9271 2410.3245 0.0000 0.0000 52013.4815 -109567.9310 298.9222 -161581.4125 -109202.4741 299.4174 7.2041 35.6626 761294.3534 -1.6957 -1.8744 PRESSURE: 3075000 277.413 -276.766 145.751 -276.766 -27.1243 -177.949 145.751 -177.949 -191.105 GPRESSURE: 3075000 251.312 -307.399 214.865 -394.31 2.50941 -214.235 28.4527 -278.344 -125.553 PRESSAVG: 3075000 32.519 -53.8991 70.31 -53.8991 4.9455 -17.7909 70.31 -17.791 -16.4501 GPRESSAVG: 3075000 30.5662 -54.7309 71.4648 -54.0169 6.60999 -17.8808 72.0852 -17.4992 -15.9648 TIMING: 3075000 CPU: 9717.82, 0.00315889/step Wall: 9717.82, 0.00315889/step, 1.68913 hours remaining, 238.046875 MB of memory in use. ENERGY: 3075000 4008.2824 20617.6432 14440.7060 241.8606 -203753.0192 2855.8023 0.0000 0.0000 51858.1584 -109730.5663 298.0295 -161588.7247 -109372.3266 298.9346 19.7282 42.7562 760889.9873 7.0048 7.0705 PRESSURE: 3075200 116.991 -24.6341 -39.621 -24.6339 319.082 118.458 -39.6204 118.456 -55.425 GPRESSURE: 3075200 186.592 -54.4103 -35.3932 15.237 274.119 196.441 -50.099 -203.822 -9.55163 PRESSAVG: 3075200 18.6168 -70.8754 35.8066 -70.8754 0.904523 5.67794 35.8067 5.67797 -8.88908 GPRESSAVG: 3075200 20.6608 -70.6473 35.8309 -71.7008 -1.50397 6.70192 35.382 6.62905 -8.82601 TIMING: 3075200 CPU: 9718.45, 0.00314204/step Wall: 9718.45, 0.00314204/step, 1.67994 hours remaining, 238.046875 MB of memory in use. ENERGY: 3075200 3989.2496 20572.3585 14452.3438 246.5386 -203647.0078 2953.0439 0.0000 0.0000 52024.8157 -109408.6577 298.9873 -161433.4734 -109056.7705 298.8429 126.8827 150.3864 760332.5472 3.5441 3.4436 PRESSURE: 3075400 331.988 -53.2391 -558.508 -53.2393 189.275 -155.027 -558.509 -155.027 204.429 GPRESSURE: 3075400 294.479 -15.1898 -590.114 153.932 328.519 -225.072 -473.766 -134.191 179.065 PRESSAVG: 3075400 -13.6699 -15.2315 3.51748 -15.2315 2.79152 -54.0693 3.51755 -54.0692 -0.0610724 GPRESSAVG: 3075400 -14.071 -14.3758 2.20161 -14.5681 4.65752 -53.9069 2.86136 -54.4611 -1.29306 TIMING: 3075400 CPU: 9719.09, 0.00317917/step Wall: 9719.09, 0.00317917/step, 1.69962 hours remaining, 238.046875 MB of memory in use. ENERGY: 3075400 3958.4382 20600.4528 14479.9425 248.7021 -203481.2384 2768.4488 0.0000 0.0000 52021.1955 -109404.0585 298.9665 -161425.2540 -109045.3584 299.3458 241.8974 267.3546 760431.8099 -3.6465 -3.5688 PRESSURE: 3075600 -334.978 -1.53439 -45.1197 -1.53463 -456.376 -292.749 -45.1196 -292.748 25.1907 GPRESSURE: 3075600 -333.324 5.9758 -38.8137 -36.0414 -390.557 -267.224 66.9449 -180.771 52.1001 PRESSAVG: 3075600 19.0534 -9.25915 31.9877 -9.25919 -4.14901 -20.8213 31.9877 -20.8213 7.05327 GPRESSAVG: 3075600 19.2917 -8.7475 31.0274 -9.59509 -5.57133 -21.0268 33.5343 -20.8914 8.2871 TIMING: 3075600 CPU: 9719.72, 0.00315531/step Wall: 9719.72, 0.00315531/step, 1.68669 hours remaining, 238.046875 MB of memory in use. ENERGY: 3075600 4138.5913 20517.5328 14414.1843 256.4503 -203365.2492 2592.8246 0.0000 0.0000 51935.5915 -109510.0743 298.4746 -161445.6658 -109153.2145 299.2636 -255.3878 -223.9270 760705.0075 7.3192 7.3358 PRESSURE: 3075800 -360.511 -85.4876 38.8944 -85.4883 -12.1257 88.8317 38.8948 88.8315 -331.014 GPRESSURE: 3075800 -398.273 -168.507 72.0305 -6.37731 53.4015 100.694 -30.4485 57.8183 -264.863 PRESSAVG: 3075800 0.966714 -53.0532 -13.2089 -53.0533 -0.902702 -6.39738 -13.2089 -6.3973 -1.82764 GPRESSAVG: 3075800 0.782409 -55.1734 -11.4255 -52.218 0.241674 -6.6335 -13.715 -3.2039 -2.3527 TIMING: 3075800 CPU: 9720.35, 0.0031579/step Wall: 9720.35, 0.0031579/step, 1.6879 hours remaining, 238.046875 MB of memory in use. ENERGY: 3075800 3931.3975 20689.9336 14442.0275 254.2826 -203224.8989 2394.6736 0.0000 0.0000 52050.5006 -109462.0836 299.1349 -161512.5842 -109111.7981 299.1000 -234.5501 -203.2450 761169.3915 -0.5879 -0.4429 PRESSURE: 3076000 113.674 182.273 145.412 182.273 301.161 -204.625 145.412 -204.624 -183.982 GPRESSURE: 3076000 210.01 163.592 202.113 125.546 263.052 -173.872 245.345 -176.526 -159.46 PRESSAVG: 3076000 26.4949 -38.9567 36.65 -38.9566 4.75851 32.1864 36.6499 32.1864 11.7495 GPRESSAVG: 3076000 26.84 -35.5056 35.3011 -41.4853 3.59178 33.9711 36.9246 30.8634 12.508 TIMING: 3076000 CPU: 9720.98, 0.00316147/step Wall: 9720.98, 0.00316147/step, 1.68963 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3076000 4006.4042 20473.1052 14360.9802 235.8617 -203456.4661 2705.1727 0.0000 0.0000 52063.7111 -109611.2310 299.2109 -161674.9421 -109247.2715 299.1292 76.9511 104.5340 760494.8582 14.3343 14.3133 PRESSURE: 3076200 -67.5184 -232.386 -105.208 -232.386 -135.56 -65.1514 -105.208 -65.1511 -29.9936 GPRESSURE: 3076200 34.3365 -238.741 -150.757 -204.865 -84.6552 -58.4899 -210.799 0.234232 -89.9261 PRESSAVG: 3076200 -37.3012 -13.0118 12.438 -13.0117 -2.41924 3.13861 12.4379 3.13865 -0.0986356 GPRESSAVG: 3076200 -35.8789 -16.0266 14.1303 -11.0599 -1.30435 0.945953 10.1827 2.46623 -2.28625 TIMING: 3076200 CPU: 9721.62, 0.00315854/step Wall: 9721.62, 0.00315854/step, 1.68789 hours remaining, 238.046875 MB of memory in use. ENERGY: 3076200 3982.6378 20583.1624 14386.8150 291.5463 -203256.4896 2356.7002 0.0000 0.0000 52014.3139 -109641.3141 298.9270 -161655.6279 -109286.1606 299.0005 -77.6908 -46.7483 760385.2788 -13.2730 -13.1565 LDB: ============= START OF LOAD BALANCING ============== 9734.01 LDB: ============== END OF LOAD BALANCING =============== 9734.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9734.01 LDB: ============= START OF LOAD BALANCING ============== 9734.33 LDB: Largest compute 7058 load 0.032043 is 16.3% of average load 0.196076 LDB: Average compute 0.004380 is 2.2% of average load 0.196076 LDB: TIME 9734.33 LOAD: AVG 0.196076 MAX 0.21625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 9734.33 LOAD: AVG 0.196076 MAX 0.21625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 9734.33 LOAD: AVG 0.196076 MAX 0.21625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 9734.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9734.34 PRESSURE: 3076400 -26.6838 -209.436 73.6325 -209.435 -107.719 154.992 73.6319 154.992 455.431 GPRESSURE: 3076400 19.385 -162.815 53.2862 -95.03 13.5975 171.107 -32.3216 41.5925 389.185 PRESSAVG: 3076400 3.73742 -36.6548 15.0216 -36.6548 -46.2294 37.3241 15.0216 37.3241 -8.77571 GPRESSAVG: 3076400 2.05622 -38.0246 14.9439 -36.6269 -45.9805 37.6412 14.7042 36.7055 -6.88109 TIMING: 3076400 CPU: 9722.26, 0.00320058/step Wall: 9722.26, 0.00320058/step, 1.71018 hours remaining, 237.640625 MB of memory in use. ENERGY: 3076400 3829.2674 20556.7115 14428.4190 247.0026 -203015.7084 2275.4306 0.0000 0.0000 52078.9268 -109599.9507 299.2983 -161678.8775 -109244.4228 298.8115 107.0092 140.7224 759604.5854 -17.0892 -16.9351 PRESSURE: 3076600 27.6674 -42.9505 201.699 -42.9501 -461.192 -122.799 201.698 -122.799 -105.765 GPRESSURE: 3076600 96.6515 -8.8045 124.467 -103.679 -445.528 -122.781 236.859 -215.061 -97.0594 PRESSAVG: 3076600 44.7904 -39.4324 -18.8358 -39.4324 -29.3355 2.8235 -18.8358 2.82345 -7.18454 GPRESSAVG: 3076600 44.9728 -36.7471 -20.0544 -39.3335 -29.1741 3.45828 -17.6753 3.36179 -6.82143 TIMING: 3076600 CPU: 9722.88, 0.00314075/step Wall: 9722.88, 0.00314075/step, 1.67803 hours remaining, 237.640625 MB of memory in use. ENERGY: 3076600 4019.1318 20546.4137 14443.4334 243.9234 -203209.1653 2065.6426 0.0000 0.0000 52178.7467 -109711.8737 299.8720 -161890.6204 -109332.9977 298.6487 -179.7632 -148.6455 761053.4778 2.7568 2.9924 PRESSURE: 3076800 -224.427 -65.0804 -79.2285 -65.0806 92.1223 -201.617 -79.2288 -201.618 -96.4483 GPRESSURE: 3076800 -107.192 -115.663 -36.0565 48.7222 -32.4482 -198.483 -12.2016 -120.742 -5.99996 PRESSAVG: 3076800 16.4452 -38.1539 16.8199 -38.154 -71.251 5.43734 16.8199 5.43735 13.9645 GPRESSAVG: 3076800 16.1901 -38.1209 16.768 -38.7092 -71.2526 5.66501 18.0441 6.0901 13.6882 TIMING: 3076800 CPU: 9723.51, 0.00315615/step Wall: 9723.51, 0.00315615/step, 1.68609 hours remaining, 237.640625 MB of memory in use. ENERGY: 3076800 4040.4661 20552.9073 14479.9235 238.1260 -203398.5770 2646.7401 0.0000 0.0000 51986.4316 -109453.9825 298.7667 -161440.4140 -109089.6460 299.0741 -76.2509 -48.5466 760737.0889 -13.6138 -13.7914 PRESSURE: 3077000 245.689 226.882 173.305 226.882 -100.693 57.5298 173.306 57.5303 344.68 GPRESSURE: 3077000 239.4 81.3052 141.621 161.267 12.7175 52.823 91.5039 76.6934 303.898 PRESSAVG: 3077000 15.9151 -50.63 20.0909 -50.6299 -20.1514 -36.2499 20.0909 -36.2499 1.35953 GPRESSAVG: 3077000 16.4444 -52.0572 20.7169 -49.8214 -20.9066 -36.2514 18.1843 -35.4776 1.52621 TIMING: 3077000 CPU: 9724.15, 0.00315422/step Wall: 9724.15, 0.00315422/step, 1.68488 hours remaining, 237.640625 MB of memory in use. ENERGY: 3077000 3949.0586 20681.6498 14488.8171 246.1489 -203497.5469 2638.7339 0.0000 0.0000 51945.3520 -109547.7865 298.5307 -161493.1385 -109191.5201 299.2192 163.2254 185.3384 760223.3264 -0.9589 -0.9787 PRESSURE: 3077200 39.1238 -170.828 -92.4115 -170.829 -294.084 -21.5674 -92.4112 -21.5672 -128.35 GPRESSURE: 3077200 50.8601 -87.1946 -13.0208 -144.802 -241.877 16.9076 -20.6419 54.7088 -88.6925 PRESSAVG: 3077200 44.2608 -38.7933 43.7042 -38.7933 -14.0754 -25.7065 43.7041 -25.7065 22.7611 GPRESSAVG: 3077200 43.8433 -37.5894 43.0983 -39.1372 -13.0189 -25.2908 44.4008 -26.5951 21.7556 TIMING: 3077200 CPU: 9724.78, 0.00316891/step Wall: 9724.78, 0.00316891/step, 1.69255 hours remaining, 237.640625 MB of memory in use. ENERGY: 3077200 3961.4593 20616.6954 14461.9962 277.8438 -203366.9548 2495.6137 0.0000 0.0000 52015.0309 -109538.3156 298.9311 -161553.3465 -109185.6280 299.1931 -127.7700 -93.2366 761369.6904 17.6488 17.5267 PRESSURE: 3077400 -127.602 -21.9626 163.152 -21.9634 -91.2058 -244.421 163.153 -244.422 31.7202 GPRESSURE: 3077400 -60.4756 10.5385 124.648 -7.11232 -79.082 -149.757 269.404 -222.164 54.6539 PRESSAVG: 3077400 17.2655 -40.3016 45.1983 -40.3015 -63.4103 -11.9115 45.1983 -11.9116 2.39644 GPRESSAVG: 3077400 17.1757 -39.7321 47.127 -39.6123 -63.9783 -12.4666 47.8742 -11.4669 3.14747 TIMING: 3077400 CPU: 9725.41, 0.00316508/step Wall: 9725.41, 0.00316508/step, 1.69033 hours remaining, 237.640625 MB of memory in use. ENERGY: 3077400 3984.2868 20582.8242 14501.5720 248.6334 -203164.6541 2398.1572 0.0000 0.0000 51867.2143 -109581.9663 298.0816 -161449.1806 -109224.3589 299.0794 -62.3625 -28.3012 759849.0265 -14.5828 -14.5517 PRESSURE: 3077600 28.7013 -19.8891 19.2038 -19.8904 -124.553 -0.186244 19.2031 -0.185187 -396.611 GPRESSURE: 3077600 103.628 -137.466 42.9294 -18.5432 -116.861 -16.5296 58.1193 -48.3095 -386.091 PRESSAVG: 3077600 27.7614 -40.5976 92.072 -40.5976 -9.10177 19.9475 92.072 19.9476 20.1146 GPRESSAVG: 3077600 28.9964 -40.132 93.0514 -41.3548 -9.78707 19.7548 90.3881 19.5625 19.1586 TIMING: 3077600 CPU: 9726.05, 0.00317334/step Wall: 9726.05, 0.00317335/step, 1.69457 hours remaining, 237.640625 MB of memory in use. ENERGY: 3077600 3974.5668 20426.0482 14435.9424 253.7658 -203173.1145 2343.2303 0.0000 0.0000 52083.6458 -109655.9151 299.3254 -161739.5608 -109293.3561 299.0610 -164.1542 -133.1078 760631.1428 12.9247 12.7893 PRESSURE: 3077800 -347.377 -341.783 45.717 -341.782 -154.45 -65.0255 45.7181 -65.0253 -381.587 GPRESSURE: 3077800 -252.261 -330.574 111.815 -308.69 -151.549 -116.882 -43.0221 -155.043 -381.181 PRESSAVG: 3077800 39.6077 -34.2275 20.8367 -34.2275 -9.61503 -6.38722 20.8367 -6.38729 0.666195 GPRESSAVG: 3077800 38.1141 -34.9856 19.0348 -34.9596 -10.0631 -6.64535 20.1005 -5.03368 2.58666 TIMING: 3077800 CPU: 9726.68, 0.00315881/step Wall: 9726.68, 0.00315881/step, 1.68663 hours remaining, 237.640625 MB of memory in use. ENERGY: 3077800 4044.0630 20488.7977 14394.4131 247.4349 -203257.6944 2437.4120 0.0000 0.0000 52116.8631 -109528.7106 299.5163 -161645.5737 -109158.6011 299.2770 -294.4714 -261.6639 760663.5523 10.2196 10.2126 PRESSURE: 3078000 201.235 -88.993 -31.0013 -88.9928 -210.456 150.088 -31.0013 150.088 47.4091 GPRESSURE: 3078000 173.505 -160.748 17.1515 -69.9026 -125.777 112.837 21.3306 7.94905 85.0851 PRESSAVG: 3078000 -17.008 -13.2784 -36.7957 -13.2784 31.7577 22.2307 -36.7957 22.2307 -24.4725 GPRESSAVG: 3078000 -16.1223 -13.348 -36.2395 -12.6658 32.8684 24.0774 -36.684 20.3082 -25.9972 TIMING: 3078000 CPU: 9727.31, 0.00314567/step Wall: 9727.31, 0.00314567/step, 1.67944 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3078000 3984.8399 20636.8393 14418.1697 265.1311 -203256.0173 2514.3570 0.0000 0.0000 52039.6289 -109397.0515 299.0725 -161436.6804 -109045.8877 299.9460 12.7294 44.2711 760602.5020 -3.2409 -3.0837 PRESSURE: 3078200 -117.06 -7.43385 -0.472272 -7.43403 294.904 -113.468 -0.472217 -113.467 -276.276 GPRESSURE: 3078200 -6.89736 -32.7472 -38.3938 35.3512 293.478 -28.6616 -88.4921 -59.2897 -305.367 PRESSAVG: 3078200 -12.1267 29.2684 -15.9917 29.2685 1.65133 -22.256 -15.9917 -22.256 5.43453 GPRESSAVG: 3078200 -10.969 29.7526 -16.1394 31.0255 -0.202068 -23.614 -16.9668 -15.8682 6.19284 TIMING: 3078200 CPU: 9727.94, 0.0031614/step Wall: 9727.94, 0.0031614/step, 1.68766 hours remaining, 237.640625 MB of memory in use. ENERGY: 3078200 3909.0543 20417.1558 14494.3481 259.5094 -203215.0576 2322.5485 0.0000 0.0000 52271.6992 -109540.7421 300.4062 -161812.4413 -109170.4217 299.6897 -32.8110 -6.2619 761201.4851 -1.6803 -1.6594 PRESSURE: 3078400 -161.217 -46.0759 184.061 -46.076 -418.838 87.4722 184.061 87.4726 452.498 GPRESSURE: 3078400 -69.0645 -24.7965 182.917 -85.6065 -349.842 135.612 26.3311 8.01891 373.89 PRESSAVG: 3078400 22.4386 -35.4435 -3.36923 -35.4435 -8.63515 57.2316 -3.36928 57.2317 -37.6257 GPRESSAVG: 3078400 21.2825 -36.1876 -3.37488 -37.9444 -7.88049 56.8166 -2.91337 52.2979 -37.2544 TIMING: 3078400 CPU: 9728.57, 0.00314918/step Wall: 9728.57, 0.00314918/step, 1.68096 hours remaining, 237.640625 MB of memory in use. ENERGY: 3078400 3955.8230 20520.8055 14397.1287 235.8296 -203675.4713 2607.7575 0.0000 0.0000 52327.1011 -109631.0260 300.7246 -161958.1271 -109258.1268 299.1207 -42.5188 -15.0053 760973.3158 -7.9408 -7.9508 PRESSURE: 3078600 196.022 19.7011 63.3445 19.7001 221.748 -16.7061 63.3446 -16.7057 -330.626 GPRESSURE: 3078600 243.136 -59.4201 101.821 24.4765 258.326 9.71255 126.642 37.8206 -334.173 PRESSAVG: 3078600 -48.2192 -29.3349 -8.8337 -29.3349 -2.55453 1.3743 -8.8338 1.37431 -11.3844 GPRESSAVG: 3078600 -48.3015 -29.9991 -10.4418 -27.791 -2.23602 2.63578 -8.61609 -0.555099 -11.767 TIMING: 3078600 CPU: 9729.2, 0.00315148/step Wall: 9729.2, 0.00315148/step, 1.68201 hours remaining, 237.640625 MB of memory in use. ENERGY: 3078600 4036.8936 20563.8885 14426.0823 231.6018 -203549.3340 2665.5214 0.0000 0.0000 52005.0733 -109620.2731 298.8739 -161625.3464 -109265.5567 299.2855 29.0479 55.7626 761252.5910 -20.7194 -20.7682 PRESSURE: 3078800 -56.1406 78.147 -118.649 78.1468 -132.709 62.6019 -118.649 62.6008 -479.013 GPRESSURE: 3078800 -81.5982 -111.07 -163.941 -23.297 -145.146 103.381 -66.1925 126.841 -353.405 PRESSAVG: 3078800 49.03 -50.1997 -19.6495 -50.1997 -47.1439 23.3052 -19.6495 23.3053 5.94219 GPRESSAVG: 3078800 50.3768 -51.6957 -18.1464 -52.335 -47.7362 22.3183 -18.7828 24.6953 5.29963 TIMING: 3078800 CPU: 9729.83, 0.00313154/step Wall: 9729.83, 0.00313154/step, 1.6712 hours remaining, 237.640625 MB of memory in use. ENERGY: 3078800 4098.8940 20688.7269 14411.0066 224.4691 -203293.1256 2344.5363 0.0000 0.0000 51834.3076 -109691.1850 297.8925 -161525.4926 -109328.1681 299.2180 -222.6210 -193.3833 760607.5069 2.6094 2.6467 PRESSURE: 3079000 -29.9691 92.1823 128.081 92.1828 -236.379 -292.637 128.081 -292.636 -171.285 GPRESSURE: 3079000 -0.557192 252.994 163.496 -14.8936 -278.699 -252.29 110.759 -282.52 -68.3426 PRESSAVG: 3079000 42.4041 -17.246 24.1896 -17.246 -29.8771 -27.974 24.1896 -27.974 30.9089 GPRESSAVG: 3079000 40.7697 -15.7516 23.1499 -15.6209 -28.5136 -25.9039 24.5524 -28.115 31.0486 TIMING: 3079000 CPU: 9730.45, 0.00313892/step Wall: 9730.45, 0.00313892/step, 1.67496 hours remaining, 237.640625 MB of memory in use. ENERGY: 3079000 3965.8928 20772.0556 14426.4354 249.6183 -203323.8548 2266.5173 0.0000 0.0000 51964.5631 -109678.7723 298.6411 -161643.3354 -109321.3044 299.2516 -145.8777 -115.8663 760166.4157 14.4787 14.4349 PRESSURE: 3079200 128.65 147.616 73.7746 147.617 110.515 146.967 73.7746 146.968 -69.8573 GPRESSURE: 3079200 190.657 202.943 70.8755 179.442 150.696 132.414 71.5634 36.1787 -57.4006 PRESSAVG: 3079200 12.6665 18.2713 29.4379 18.2714 -31.8491 -33.2182 29.4378 -33.2182 -0.723285 GPRESSAVG: 3079200 14.052 16.6263 30.4474 19.0955 -32.0701 -34.7411 28.1172 -34.7529 -1.54168 TIMING: 3079200 CPU: 9731.09, 0.00315309/step Wall: 9731.09, 0.00315309/step, 1.68235 hours remaining, 237.640625 MB of memory in use. ENERGY: 3079200 3951.6963 20558.9848 14443.2062 245.0760 -203568.5415 2626.0403 0.0000 0.0000 51973.6550 -109769.8829 298.6933 -161743.5380 -109408.8634 299.2435 56.4362 94.6508 759103.8073 -6.6353 -6.5199 PRESSURE: 3079400 -238.25 137.111 -97.9881 137.111 -3.21742 274.199 -97.9887 274.199 -199.956 GPRESSURE: 3079400 -116.658 42.0925 -148.708 87.5336 -24.5818 257.617 -42.7838 158.498 -202.53 PRESSAVG: 3079400 22.1274 18.7084 7.22443 18.7085 -41.6714 3.70779 7.22443 3.70765 17.4586 GPRESSAVG: 3079400 22.5822 18.4565 8.09877 19.2231 -41.9275 3.07296 7.17565 5.62435 17.0599 TIMING: 3079400 CPU: 9731.71, 0.00313949/step Wall: 9731.71, 0.00313949/step, 1.67492 hours remaining, 237.640625 MB of memory in use. ENERGY: 3079400 4013.6655 20404.0947 14485.7786 235.0400 -203530.1010 2352.8859 0.0000 0.0000 52356.2905 -109682.3458 300.8923 -162038.6363 -109319.3311 299.0311 -147.1411 -114.5898 758513.4602 -0.6951 -0.7618 PRESSURE: 3079600 -158.026 118.784 -160.703 118.784 -268.201 -290.928 -160.702 -290.928 71.7527 GPRESSURE: 3079600 -94.6892 64.8382 -190.28 83.3687 -222.411 -230.45 -68.7681 -101.402 48.8899 PRESSAVG: 3079600 14.8665 -7.27978 -15.3769 -7.27979 -27.8047 -5.03636 -15.3769 -5.0364 -6.94952 GPRESSAVG: 3079600 14.5953 -6.49756 -17.8038 -7.45498 -29.435 -3.50315 -14.5093 -5.63784 -5.30713 TIMING: 3079600 CPU: 9732.34, 0.00312802/step Wall: 9732.34, 0.00312802/step, 1.66863 hours remaining, 237.640625 MB of memory in use. ENERGY: 3079600 4002.2195 20540.7345 14433.6789 253.6240 -203474.5242 2453.7581 0.0000 0.0000 52252.2505 -109538.2587 300.2944 -161790.5092 -109174.2934 299.1970 -118.1582 -89.4033 759590.5832 -6.6293 -6.7156 PRESSURE: 3079800 436.31 -191.08 134.121 -191.08 459.266 -99.915 134.121 -99.916 625.593 GPRESSURE: 3079800 404.339 -275.766 180.084 -60.6359 521.837 -50.6384 89.5964 -191.248 685.969 PRESSAVG: 3079800 13.42 -30.8571 -3.337 -30.8571 -14.2019 -40.2894 -3.33706 -40.2894 -26.2797 GPRESSAVG: 3079800 13.2361 -30.0012 -2.17048 -31.7554 -13.2638 -41.2972 -3.45059 -41.663 -27.1299 TIMING: 3079800 CPU: 9732.97, 0.00314171/step Wall: 9732.97, 0.00314171/step, 1.67575 hours remaining, 237.640625 MB of memory in use. ENERGY: 3079800 4065.9896 20546.4246 14470.8224 248.1497 -203656.7766 2826.0107 0.0000 0.0000 51863.4488 -109635.9307 298.0600 -161499.3795 -109284.3173 299.2131 507.0564 537.3816 759315.6900 -9.0205 -9.0525 PRESSURE: 3080000 45.3113 54.8143 59.9089 54.8142 151.405 -41.3563 59.9082 -41.3557 145.532 GPRESSURE: 3080000 109.351 52.8685 78.2581 102.336 144.512 -92.8236 31.3977 -72.7816 156.856 PRESSAVG: 3080000 1.81554 23.6371 32.8824 23.6371 24.0338 -18.7854 32.8824 -18.7855 18.9787 GPRESSAVG: 3080000 1.78601 24.1727 32.7082 22.9585 23.1994 -19.3692 31.1788 -17.2976 19.8569 TIMING: 3080000 CPU: 9733.6, 0.00316651/step Wall: 9733.6, 0.00316651/step, 1.6888 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3080000 3995.7785 20521.4953 14492.0996 228.1197 -203134.5166 2336.0866 0.0000 0.0000 51904.2497 -109656.6873 298.2944 -161560.9370 -109302.3793 299.3061 114.0828 136.9064 761230.3150 14.9427 14.9474 PRESSURE: 3080200 -65.3008 113.386 227.973 113.386 141.334 123.677 227.972 123.676 -0.795115 GPRESSURE: 3080200 18.786 104.843 250.013 97.1073 132.69 191.851 170.065 99.4549 27.9149 PRESSAVG: 3080200 -10.8264 -0.4005 -19.0864 -0.400442 -5.99412 0.890894 -19.0864 0.890886 -0.585825 GPRESSAVG: 3080200 -10.8489 0.494613 -16.7385 -0.692021 -6.63147 0.069011 -18.7347 1.82942 -0.480361 TIMING: 3080200 CPU: 9734.23, 0.00315198/step Wall: 9734.23, 0.00315198/step, 1.68088 hours remaining, 237.640625 MB of memory in use. ENERGY: 3080200 3996.5914 20585.4218 14395.4501 222.2444 -203305.0689 2486.5831 0.0000 0.0000 51872.6443 -109746.1338 298.1128 -161618.7781 -109391.1674 298.9592 25.0793 59.7968 759195.5678 -5.8021 -5.9869 LDB: ============= START OF LOAD BALANCING ============== 9746.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9746.63 LDB: =============== DONE WITH MIGRATION ================ 9746.63 LDB: ============= START OF LOAD BALANCING ============== 9746.94 LDB: Largest compute 7075 load 0.031380 is 16.0% of average load 0.196119 LDB: Average compute 0.004388 is 2.2% of average load 0.196119 LDB: TIME 9746.95 LOAD: AVG 0.196119 MAX 0.214656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 9746.95 LOAD: AVG 0.196119 MAX 0.214656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 9746.95 LOAD: AVG 0.196119 MAX 0.214656 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 9746.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9746.95 PRESSURE: 3080400 -42.3476 2.31962 291.495 2.31941 -276.243 388.398 291.495 388.395 254.236 GPRESSURE: 3080400 -115.514 40.2346 297.038 -108.963 -60.4049 391.198 244.722 262.473 199.442 PRESSAVG: 3080400 24.7646 15.7725 -4.2009 15.7725 -41.4428 27.8301 -4.20089 27.8301 4.99645 GPRESSAVG: 3080400 24.78 14.9691 -5.75864 18.0238 -40.036 29.4756 -3.32336 28.3768 3.5117 TIMING: 3080400 CPU: 9734.87, 0.00320458/step Wall: 9734.87, 0.00320458/step, 1.70876 hours remaining, 237.332031 MB of memory in use. ENERGY: 3080400 3968.4506 20547.2696 14423.1473 242.0086 -203690.0293 2594.9447 0.0000 0.0000 52091.2269 -109822.9816 299.3690 -161914.2085 -109458.7073 299.0341 -21.4516 7.8412 760051.8772 -3.8939 -3.9148 PRESSURE: 3080600 78.1877 -197.863 49.7305 -197.863 214.257 -77.2057 49.7308 -77.2046 563.882 GPRESSURE: 3080600 124.403 -108.73 -50.7556 -93.8961 251.098 -52.594 67.1293 -60.4194 556.402 PRESSAVG: 3080600 -32.3087 -26.2442 -10.422 -26.2442 18.0238 1.47632 -10.422 1.47632 13.3899 GPRESSAVG: 3080600 -32.7633 -24.7744 -10.862 -27.371 18.5012 1.1477 -10.466 0.359627 13.43 TIMING: 3080600 CPU: 9735.5, 0.00312971/step Wall: 9735.5, 0.00312971/step, 1.66866 hours remaining, 237.332031 MB of memory in use. ENERGY: 3080600 3919.9969 20584.8697 14544.3612 247.2150 -203727.3271 2678.4100 0.0000 0.0000 51959.6325 -109792.8418 298.6127 -161752.4743 -109427.1040 298.7838 285.4420 310.6341 759062.9466 -0.2983 -0.2774 PRESSURE: 3080800 -99.4646 -46.4733 -90.1139 -46.474 251.07 -35.3573 -90.1143 -35.3568 -125.003 GPRESSURE: 3080800 -44.8546 26.4562 -15.4451 -26.0457 226.909 -26.8291 -41.9524 -149.656 -65.0679 PRESSAVG: 3080800 3.64352 -45.7535 10.7512 -45.7535 36.5315 -52.7122 10.7512 -52.7121 9.48961 GPRESSAVG: 3080800 4.86862 -47.5909 12.2593 -47.0169 35.5038 -51.5994 9.95899 -53.779 9.86947 TIMING: 3080800 CPU: 9736.13, 0.00315107/step Wall: 9736.13, 0.00315107/step, 1.67987 hours remaining, 237.332031 MB of memory in use. ENERGY: 3080800 4014.1967 20495.2660 14424.0251 236.0984 -203568.2424 2458.1918 0.0000 0.0000 52041.6497 -109898.8147 299.0841 -161940.4644 -109534.2440 299.0049 8.8673 38.9955 758102.6124 16.5549 16.7473 PRESSURE: 3081000 -48.2444 -77.4979 -148.976 -77.4971 268.099 -208.957 -148.976 -208.958 -186.819 GPRESSURE: 3081000 6.7762 -52.3424 -142.173 -66.9197 260.474 -226.02 -31.3963 -43.6735 -149.379 PRESSAVG: 3081000 18.9692 -60.5333 22.3761 -60.5334 -14.5649 -27.3976 22.3761 -27.3976 -0.000565424 GPRESSAVG: 3081000 18.115 -59.954 20.7657 -59.1494 -14.2763 -29.2656 23.5828 -24.5339 0.442514 TIMING: 3081000 CPU: 9736.75, 0.00313446/step Wall: 9736.75, 0.00313446/step, 1.67084 hours remaining, 237.332031 MB of memory in use. ENERGY: 3081000 3982.1875 20613.4309 14427.2443 258.6428 -203586.1782 2546.3252 0.0000 0.0000 51932.9445 -109825.4029 298.4593 -161758.3475 -109463.3238 298.9646 11.0116 39.2903 760307.9672 1.4679 1.4271 PRESSURE: 3081200 -9.44917 55.2355 -143.889 55.2349 -419.224 90.8132 -143.889 90.8118 -274.733 GPRESSURE: 3081200 3.20811 77.7149 -67.0933 41.1284 -332.441 151.526 -184.87 96.8794 -250.482 PRESSAVG: 3081200 -43.3164 -59.5858 -44.7896 -59.5858 25.919 36.2393 -44.7896 36.2393 -13.1036 GPRESSAVG: 3081200 -43.0013 -58.4145 -42.425 -61.9442 25.5096 35.5153 -46.0321 37.3871 -13.0868 TIMING: 3081200 CPU: 9737.38, 0.0031489/step Wall: 9737.38, 0.0031489/step, 1.67837 hours remaining, 237.332031 MB of memory in use. ENERGY: 3081200 3974.7085 20729.4625 14470.8494 231.5720 -203580.5518 2454.1410 0.0000 0.0000 51845.6548 -109874.1635 297.9577 -161719.8183 -109513.8406 299.1731 -234.4686 -193.2383 760366.4925 -10.1670 -10.1929 PRESSURE: 3081400 -97.8631 -48.9655 -116.137 -48.9654 -59.6542 -82.2895 -116.137 -82.2897 -275.11 GPRESSURE: 3081400 -59.7761 92.1222 -115.625 -67.7337 -51.0331 -120.29 24.5252 -27.4107 -224.68 PRESSAVG: 3081400 51.4354 -2.39769 15.3072 -2.39771 -28.8341 5.38852 15.3072 5.3885 6.38445 GPRESSAVG: 3081400 51.6428 -1.48523 13.965 -2.56729 -28.9372 6.27928 17.3906 2.66738 6.44268 TIMING: 3081400 CPU: 9738.01, 0.00314691/step Wall: 9738.01, 0.00314691/step, 1.67713 hours remaining, 237.332031 MB of memory in use. ENERGY: 3081400 4036.6493 20497.2096 14477.9806 247.4906 -203501.7453 2337.0478 0.0000 0.0000 52177.6623 -109727.7052 299.8657 -161905.3675 -109371.2615 299.1435 -144.2091 -111.8298 759067.7090 9.6619 9.7161 PRESSURE: 3081600 81.8615 -84.4824 34.4313 -84.4823 -244.248 126.97 34.4318 126.97 73.4045 GPRESSURE: 3081600 173.353 -38.7471 3.77283 -70.7251 -211.5 50.0517 -48.375 126.513 53.269 PRESSAVG: 3081600 44.2888 -55.041 -31.4066 -55.041 -34.8025 26.5678 -31.4065 26.5678 0.675684 GPRESSAVG: 3081600 44.5253 -57.4686 -32.0339 -53.7135 -35.1884 25.7406 -32.9523 26.1864 -0.0618697 TIMING: 3081600 CPU: 9738.64, 0.00314932/step Wall: 9738.64, 0.00314932/step, 1.67824 hours remaining, 237.332031 MB of memory in use. ENERGY: 3081600 4058.5711 20549.7546 14377.3424 237.9202 -204007.6561 2810.7209 0.0000 0.0000 52296.5924 -109676.7545 300.5492 -161973.3470 -109302.9637 299.8980 -29.6606 5.0407 761153.3059 3.3873 3.0917 PRESSURE: 3081800 419.99 166.796 -73.9727 166.797 369.04 -28.0726 -73.9727 -28.0719 -99.9682 GPRESSURE: 3081800 443.544 112.641 -70.5713 209.506 360.574 -89.4829 -94.2507 -24.8706 -33.0134 PRESSAVG: 3081800 19.9179 -37.9832 -2.69703 -37.9831 -23.3132 -10.4602 -2.69697 -10.4601 28.3761 GPRESSAVG: 3081800 19.0042 -38.7481 -0.459456 -39.1092 -22.8323 -9.308 -3.06067 -7.95093 29.1381 TIMING: 3081800 CPU: 9739.28, 0.00316651/step Wall: 9739.28, 0.00316651/step, 1.68722 hours remaining, 237.332031 MB of memory in use. ENERGY: 3081800 3974.6254 20738.9605 14488.6561 236.8267 -203540.9624 2569.2454 0.0000 0.0000 51934.1396 -109598.5089 298.4662 -161532.6484 -109240.3359 299.9759 229.6873 257.0349 759033.9346 8.3269 8.4367 PRESSURE: 3082000 76.7893 -73.6936 161.906 -73.6937 88.4441 32.0632 161.907 32.0636 93.6938 GPRESSURE: 3082000 130.019 -241.016 105.695 -57.4852 91.4346 99.9826 159.332 3.77849 103.811 PRESSAVG: 3082000 -8.72114 7.92014 -11.8682 7.92023 -17.0604 -60.4858 -11.8683 -60.4857 21.2022 GPRESSAVG: 3082000 -9.26399 8.19778 -15.3094 8.86817 -17.3854 -60.6501 -12.9635 -61.4929 22.3968 TIMING: 3082000 CPU: 9739.91, 0.00315092/step Wall: 9739.91, 0.00315092/step, 1.67874 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3082000 3974.4556 20578.9983 14343.7197 251.4316 -203461.0592 2567.0373 0.0000 0.0000 51981.7783 -109763.6384 298.7400 -161745.4167 -109398.5919 299.3138 86.3091 108.4216 760338.6977 -1.5264 -1.4175 PRESSURE: 3082200 -134.34 67.8975 -75.1782 67.8973 -60.4142 50.9668 -75.1776 50.9672 239.879 GPRESSURE: 3082200 -26.8466 17.7607 -45.5697 163.248 -77.0107 47.4232 54.6292 108.491 203.495 PRESSAVG: 3082200 2.1908 11.7636 29.6654 11.7636 8.04327 24.2785 29.6655 24.2784 7.50921 GPRESSAVG: 3082200 2.443 10.7288 30.3679 13.0936 8.41407 25.1931 33.3112 22.2316 6.93675 TIMING: 3082200 CPU: 9740.54, 0.00316348/step Wall: 9740.54, 0.00316348/step, 1.68526 hours remaining, 237.332031 MB of memory in use. ENERGY: 3082200 3998.1571 20659.8466 14421.3469 243.3136 -203454.6455 2542.7660 0.0000 0.0000 52117.6554 -109471.5598 299.5209 -161589.2152 -109113.2001 299.2737 15.0416 33.2126 759727.1816 5.9144 5.9313 PRESSURE: 3082400 -148.394 -42.2147 -10.2925 -42.2151 -497.792 -92.8098 -10.2921 -92.8096 17.5414 GPRESSURE: 3082400 -142.452 -55.6569 -129.785 -44.9183 -385.616 -154.161 -31.6053 -4.96378 -9.07263 PRESSAVG: 3082400 2.06364 -32.6524 -47.3581 -32.6524 -26.5405 -23.6957 -47.3582 -23.6957 -22.2524 GPRESSAVG: 3082400 2.57037 -30.5058 -47.2511 -32.3093 -26.8934 -24.6864 -48.3938 -22.0867 -22.4744 TIMING: 3082400 CPU: 9741.17, 0.00312882/step Wall: 9741.17, 0.00312882/step, 1.66662 hours remaining, 237.332031 MB of memory in use. ENERGY: 3082400 4003.7308 20603.3100 14381.6638 257.3654 -203345.8366 2241.8666 0.0000 0.0000 52517.7222 -109340.1778 301.8201 -161857.9000 -108979.2964 299.9857 -209.5484 -179.0470 761084.5089 -15.5764 -15.5991 PRESSURE: 3082600 133.336 96.5039 -215.101 96.5028 -524.334 -202.086 -215.101 -202.086 -197.944 GPRESSURE: 3082600 109.827 111.42 -210.671 -3.2549 -501.33 -208.317 -97.74 -120.894 -105.521 PRESSAVG: 3082600 -10.1252 -63.8849 6.53893 -63.8849 -19.125 -8.29462 6.53887 -8.29462 15.7865 GPRESSAVG: 3082600 -9.83518 -63.2986 6.86278 -66.2203 -18.9602 -8.25485 5.75761 -8.35675 15.7165 TIMING: 3082600 CPU: 9741.8, 0.00315412/step Wall: 9741.8, 0.00315412/step, 1.67992 hours remaining, 237.332031 MB of memory in use. ENERGY: 3082600 3992.5802 20658.7866 14394.9576 244.9273 -202858.7791 2090.8612 0.0000 0.0000 52124.7195 -109351.9467 299.5615 -161476.6662 -108989.9849 300.2316 -196.3140 -165.6746 760621.1793 -4.4879 -4.3596 PRESSURE: 3082800 85.5133 -199.626 -101.518 -199.625 101.999 -106.135 -101.519 -106.135 -21.7936 GPRESSURE: 3082800 10.6617 -294.899 -167.006 -181.771 185.459 -125.107 -167.969 -211.485 49.7659 PRESSAVG: 3082800 26.2551 -53.7051 22.7367 -53.7052 0.49495 25.4734 22.7367 25.4734 -3.78586 GPRESSAVG: 3082800 25.3879 -54.6823 25.0542 -53.3351 0.3072 25.3772 20.6526 24.6759 -3.09388 TIMING: 3082800 CPU: 9742.43, 0.0031691/step Wall: 9742.43, 0.0031691/step, 1.68772 hours remaining, 237.332031 MB of memory in use. ENERGY: 3082800 4018.2148 20433.9171 14431.9182 258.7393 -203518.8298 2522.0767 0.0000 0.0000 52177.9363 -109676.0274 299.8673 -161853.9637 -109299.4757 299.6632 55.2396 81.9622 759226.2644 7.6547 7.5337 PRESSURE: 3083000 -84.416 -6.6779 -103.992 -6.67655 86.8941 -37.6851 -103.992 -37.685 -248.173 GPRESSURE: 3083000 6.72244 -39.371 -148.036 71.1125 118.387 10.1964 -53.6616 -35.8213 -287.444 PRESSAVG: 3083000 57.6235 -64.6782 17.1955 -64.6782 -40.2406 -48.3295 17.1954 -48.3296 -0.539402 GPRESSAVG: 3083000 58.5823 -65.4684 14.6195 -65.3245 -40.1441 -46.5566 18.5823 -49.321 -2.17802 TIMING: 3083000 CPU: 9743.06, 0.00314191/step Wall: 9743.06, 0.00314191/step, 1.67307 hours remaining, 237.332031 MB of memory in use. ENERGY: 3083000 4024.4780 20419.3032 14440.5248 264.1159 -203353.0339 2501.1698 0.0000 0.0000 52123.4926 -109579.9496 299.5544 -161703.4422 -109210.5742 299.6800 -81.8984 -54.1116 760506.8571 5.6145 5.4201 PRESSURE: 3083200 156.119 44.6199 22.5965 44.6209 291.015 -145.533 22.5965 -145.534 175.195 GPRESSURE: 3083200 197.333 -30.9841 40.3551 111.014 319.374 -178.616 109.964 48.8333 209.936 PRESSAVG: 3083200 -17.6333 5.1962 -55.4615 5.19611 26.9381 -19.5724 -55.4615 -19.5724 14.5309 GPRESSAVG: 3083200 -18.5521 5.9815 -55.2232 7.41135 26.3841 -20.2464 -55.9746 -19.3522 15.7799 TIMING: 3083200 CPU: 9743.69, 0.0031437/step Wall: 9743.69, 0.0031437/step, 1.67384 hours remaining, 237.332031 MB of memory in use. ENERGY: 3083200 3967.4252 20451.4822 14430.2162 228.7484 -203542.8058 2636.1534 0.0000 0.0000 52401.1163 -109427.6642 301.1499 -161828.7805 -109061.3290 299.3978 207.4430 242.2143 758646.6994 7.9452 7.8706 PRESSURE: 3083400 32.4392 -105.478 -73.8269 -105.477 226.098 -6.01126 -73.8264 -6.01114 -154.362 GPRESSURE: 3083400 -14.9318 -65.3306 -29.9823 -15.8903 324.206 42.867 -167.264 -16.9253 -105.322 PRESSAVG: 3083400 62.9862 -13.1375 30.3871 -13.1376 -35.5094 3.60518 30.3871 3.60514 13.1623 GPRESSAVG: 3083400 62.8575 -14.7936 31.0385 -12.9732 -35.2219 2.7825 32.5306 4.48647 12.884 TIMING: 3083400 CPU: 9744.32, 0.00315689/step Wall: 9744.32, 0.00315689/step, 1.68069 hours remaining, 237.332031 MB of memory in use. ENERGY: 3083400 3972.9619 20655.0560 14428.8602 249.2986 -203294.5050 2563.0416 0.0000 0.0000 51849.6287 -109575.6581 297.9805 -161425.2868 -109211.4981 299.6469 34.7251 67.9842 759211.2529 13.5464 13.5065 PRESSURE: 3083600 -14.2984 -2.10933 -96.3561 -2.10905 -89.6207 117.374 -96.3561 117.374 -233.043 GPRESSURE: 3083600 13.771 76.8525 -57.6819 24.0009 -82.0612 46.958 -55.431 198.409 -180.503 PRESSAVG: 3083600 11.7711 7.31075 -63.5853 7.31076 15.2873 29.7474 -63.5853 29.7474 12.7683 GPRESSAVG: 3083600 11.8402 8.58796 -62.1188 5.67167 14.9681 29.9969 -65.4487 31.2539 12.8621 TIMING: 3083600 CPU: 9744.95, 0.00314907/step Wall: 9744.95, 0.00314906/step, 1.67635 hours remaining, 237.332031 MB of memory in use. ENERGY: 3083600 4009.1067 20619.8444 14364.9842 247.1493 -203213.9033 2383.0871 0.0000 0.0000 52075.5891 -109514.1424 299.2791 -161589.7315 -109155.3234 299.9012 -112.3207 -82.9309 759279.5880 13.2756 13.2235 PRESSURE: 3083800 -126.176 62.0205 3.4089 62.0203 -78.0163 -239.357 3.40883 -239.357 -514.433 GPRESSURE: 3083800 -96.5717 -40.0438 -59.7736 77.4304 -92.0562 -229.565 -80.758 -254.313 -420.094 PRESSAVG: 3083800 -6.53539 -26.8272 -0.930083 -26.8271 10.2106 17.9359 -0.930038 17.9358 10.8512 GPRESSAVG: 3083800 -6.73885 -25.2282 -2.62892 -25.6747 10.738 15.8879 0.828869 17.803 10.6886 TIMING: 3083800 CPU: 9745.58, 0.00315166/step Wall: 9745.58, 0.00315166/step, 1.67756 hours remaining, 237.332031 MB of memory in use. ENERGY: 3083800 4011.3841 20694.3267 14463.4916 253.1727 -203617.8822 2725.6049 0.0000 0.0000 51989.9358 -109479.9664 298.7869 -161469.9022 -109117.8741 299.9238 -239.5418 -202.9074 761387.6940 4.8421 4.8959 PRESSURE: 3084000 -95.6327 216.283 64.5986 216.283 -23.5342 92.4077 64.5985 92.4062 -247.687 GPRESSURE: 3084000 -45.7877 263.198 -46.9483 15.1251 16.5846 80.4265 138.602 102.808 -245.842 PRESSAVG: 3084000 17.6227 11.3907 9.78934 11.3906 -28.1167 -32.1665 9.78935 -32.1666 3.54534 GPRESSAVG: 3084000 17.7972 12.402 8.91319 8.79763 -27.198 -30.7751 9.20403 -32.5324 2.57866 TIMING: 3084000 CPU: 9746.21, 0.00316729/step Wall: 9746.21, 0.00316729/step, 1.6857 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3084000 3956.4416 20698.0292 14533.7529 257.4029 -203674.5304 2659.2635 0.0000 0.0000 52008.0260 -109561.6143 298.8908 -161569.6403 -109204.2461 299.6346 -122.2845 -91.6816 761151.3099 -2.3162 -2.2740 PRESSURE: 3084200 -110.812 -103.784 -67.3518 -103.785 227.088 -92.0868 -67.3526 -92.0876 104.68 GPRESSURE: 3084200 -47.2604 -183.904 -6.80042 -69.0863 288.633 -79.373 -91.5411 -20.424 55.0564 PRESSAVG: 3084200 -4.6387 6.15537 -20.8247 6.15538 -0.289678 -49.0778 -20.8247 -49.0778 -10.8432 GPRESSAVG: 3084200 -4.46326 4.14394 -20.311 7.35003 -1.13259 -50.0413 -22.6574 -49.0085 -9.86468 TIMING: 3084200 CPU: 9746.84, 0.00316043/step Wall: 9746.84, 0.00316044/step, 1.68188 hours remaining, 237.332031 MB of memory in use. ENERGY: 3084200 3996.1177 20564.9446 14484.0189 249.9737 -203466.0538 2579.0626 0.0000 0.0000 52294.1844 -109297.7518 300.5354 -161591.9362 -108925.3758 299.9346 73.6516 98.8095 761671.1457 -5.2572 -5.1535 LDB: ============= START OF LOAD BALANCING ============== 9759.24 LDB: ============== END OF LOAD BALANCING =============== 9759.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9759.25 LDB: ============= START OF LOAD BALANCING ============== 9759.56 LDB: Largest compute 7058 load 0.032682 is 16.7% of average load 0.196018 LDB: Average compute 0.004367 is 2.2% of average load 0.196018 LDB: TIME 9759.57 LOAD: AVG 0.196018 MAX 0.216012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 9759.57 LOAD: AVG 0.196018 MAX 0.216012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: TIME 9759.57 LOAD: AVG 0.196018 MAX 0.216012 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: ============== END OF LOAD BALANCING =============== 9759.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9759.57 PRESSURE: 3084400 -246.887 36.0269 -302.889 36.0266 -63.1892 -389.91 -302.889 -389.91 353.863 GPRESSURE: 3084400 -156.221 23.2894 -322.255 50.2153 -123.967 -279.445 -298.551 -396.248 404.56 PRESSAVG: 3084400 8.59387 -6.22974 -15.488 -6.22969 -18.6278 -3.89465 -15.488 -3.89465 12.1748 GPRESSAVG: 3084400 9.15902 -6.3962 -14.3464 -4.85122 -18.9522 -1.16245 -13.7546 -3.63594 11.8944 TIMING: 3084400 CPU: 9747.49, 0.00322656/step Wall: 9747.49, 0.00322656/step, 1.71689 hours remaining, 238.921875 MB of memory in use. ENERGY: 3084400 3974.5005 20647.8346 14453.6942 261.2823 -203402.7543 2586.9472 0.0000 0.0000 52330.8158 -109147.6797 300.7459 -161478.4955 -108795.0079 300.2894 14.5955 41.4574 760878.5118 0.7136 0.7004 PRESSURE: 3084600 -143.441 -76.3745 104.134 -76.3744 370.1 21.726 104.135 21.7257 355.754 GPRESSURE: 3084600 -105.178 48.9422 148.75 -56.8029 423.957 -58.4509 11.7308 14.0579 357.473 PRESSAVG: 3084600 -24.9643 11.9925 -19.4035 11.9926 53.7519 -44.9814 -19.4034 -44.9814 1.07946 GPRESSAVG: 3084600 -25.5522 11.9823 -18.576 10.2348 53.4163 -48.1605 -21.0043 -44.4079 2.66548 TIMING: 3084600 CPU: 9748.12, 0.00315235/step Wall: 9748.12, 0.00315235/step, 1.67722 hours remaining, 239.125000 MB of memory in use. ENERGY: 3084600 3891.6375 20630.6983 14467.1107 242.1178 -203676.1468 2866.6757 0.0000 0.0000 52302.2515 -109275.6554 300.5818 -161577.9069 -108914.5807 300.6439 194.1379 225.4175 762491.9849 9.9557 10.1765 PRESSURE: 3084800 126.63 181.604 -1.02962 181.603 -133.797 -263.995 -1.02945 -263.996 -97.1272 GPRESSURE: 3084800 153.195 95.5079 -42.8276 126.834 -186.587 -333.337 -92.7447 -118.644 0.670509 PRESSAVG: 3084800 33.5518 -62.3226 -57.9498 -62.3226 1.48028 18.4246 -57.9498 18.4246 11.4209 GPRESSAVG: 3084800 32.0403 -62.5286 -57.7043 -60.6117 2.67835 18.3328 -58.593 17.7647 11.1707 TIMING: 3084800 CPU: 9748.75, 0.0031355/step Wall: 9748.75, 0.0031355/step, 1.66809 hours remaining, 239.125000 MB of memory in use. ENERGY: 3084800 4036.2185 20590.2764 14474.9208 239.2004 -203644.5999 2688.9133 0.0000 0.0000 52586.1510 -109028.9195 302.2133 -161615.0705 -108658.6920 300.6195 -34.7645 -10.9072 761973.8827 15.4843 15.2965 PRESSURE: 3085000 50.9513 -55.3837 -93.6334 -55.3831 -229.061 165.575 -93.6328 165.575 25.168 GPRESSURE: 3085000 -17.998 -66.1968 -243.086 40.0386 -101.982 95.5631 -14.8338 53.1367 57.8764 PRESSAVG: 3085000 6.95483 -47.4154 -23.0986 -47.4154 -5.92198 -8.95993 -23.0986 -8.95989 -7.95009 GPRESSAVG: 3085000 7.71952 -48.1163 -23.8611 -48.0567 -5.83921 -8.36288 -23.4539 -9.11243 -9.19648 TIMING: 3085000 CPU: 9749.38, 0.00315123/step Wall: 9749.38, 0.00315123/step, 1.67628 hours remaining, 239.382812 MB of memory in use. ENERGY: 3085000 3945.0800 20484.6577 14460.7959 238.6800 -203418.5685 2859.2055 0.0000 0.0000 52348.7846 -109081.3648 300.8492 -161430.1494 -108706.6759 300.9315 -50.9805 -20.7012 761965.5120 -2.3057 -2.4387 PRESSURE: 3085200 -227.772 49.5265 72.691 49.5264 -49.1173 -176.325 72.6911 -176.326 114.603 GPRESSURE: 3085200 -142.419 -35.2912 57.0335 41.7299 -131.178 -182.033 39.5092 -54.1637 189.786 PRESSAVG: 3085200 -54.4317 5.77468 -34.4745 5.7746 32.4265 2.8162 -34.4745 2.81616 12.6824 GPRESSAVG: 3085200 -54.9344 4.09119 -33.3376 4.19378 32.2142 2.74973 -32.0173 3.25512 13.8559 TIMING: 3085200 CPU: 9750.01, 0.00315328/step Wall: 9750.01, 0.00315328/step, 1.6772 hours remaining, 239.382812 MB of memory in use. ENERGY: 3085200 4008.7196 20670.1230 14402.1792 250.4251 -203071.6784 2532.1283 0.0000 0.0000 52128.3604 -109079.7427 299.5824 -161208.1031 -108719.4428 300.8269 -54.0953 -27.9369 763002.8708 -3.1076 -2.9547 PRESSURE: 3085400 -120.676 -2.72459 130.423 -2.72345 -97.5175 20.0869 130.423 20.0872 466.65 GPRESSURE: 3085400 -109.174 117.542 85.0438 -95.0624 63.728 -49.3436 136.406 44.391 375.762 PRESSAVG: 3085400 13.0325 -59.7182 26.495 -59.7183 -4.52113 -11.9054 26.495 -11.9053 8.98712 GPRESSAVG: 3085400 14.1018 -56.5722 25.9937 -60.8509 -4.95556 -12.211 24.7943 -11.4251 8.45055 TIMING: 3085400 CPU: 9750.65, 0.00318896/step Wall: 9750.65, 0.00318896/step, 1.69599 hours remaining, 239.382812 MB of memory in use. ENERGY: 3085400 3979.5253 20730.6966 14438.2773 255.2592 -202965.1811 2477.5623 0.0000 0.0000 52202.2725 -108881.5879 300.0072 -161083.8603 -108508.7421 300.2215 82.8190 110.1053 761226.1891 5.8328 5.8656 PRESSURE: 3085600 -73.0941 -128.17 -104.271 -128.171 14.927 -97.3457 -104.271 -97.3444 198.777 GPRESSURE: 3085600 -31.1024 -52.3275 -113.489 -53.8715 55.1515 -91.0052 30.166 -72.0114 205.507 PRESSAVG: 3085600 -0.516785 -57.9579 44.7135 -57.9579 23.335 -3.31408 44.7134 -3.31414 -6.89291 GPRESSAVG: 3085600 -1.12842 -59.7504 44.1865 -54.362 23.3878 -3.46765 46.7702 -4.04439 -6.48157 TIMING: 3085600 CPU: 9751.28, 0.00316497/step Wall: 9751.28, 0.00316497/step, 1.68306 hours remaining, 239.382812 MB of memory in use. ENERGY: 3085600 4015.5214 20573.3139 14413.4417 248.0578 -203384.4710 2662.2308 0.0000 0.0000 52377.7339 -109094.1715 301.0156 -161471.9054 -108717.5845 300.6047 46.8699 76.5186 760706.8040 5.3084 5.2593 PRESSURE: 3085800 -59.7912 -19.3029 -199.825 -19.3029 62.5349 -41.8199 -199.825 -41.8194 -215.316 GPRESSURE: 3085800 -15.6045 -5.41496 -201.656 -67.5493 47.5144 23.2803 -164.24 -216.364 -154.657 PRESSAVG: 3085800 -16.1717 8.49817 -14.0049 8.49821 -10.3964 16.8301 -14.005 16.83 13.1462 GPRESSAVG: 3085800 -14.5577 10.144 -14.1949 7.66585 -10.6091 18.46 -16.1301 17.2634 12.2148 TIMING: 3085800 CPU: 9751.91, 0.00314856/step Wall: 9751.91, 0.00314856/step, 1.67416 hours remaining, 239.382812 MB of memory in use. ENERGY: 3085800 3992.4605 20652.9271 14515.8922 252.1795 -203628.8412 2812.6948 0.0000 0.0000 52281.8404 -109120.8468 300.4645 -161402.6871 -108746.9963 300.2900 -70.8573 -40.9158 762389.9132 -4.4740 -4.3173 PRESSURE: 3086000 63.0017 38.5483 187.465 38.5485 -147.948 239.959 187.465 239.96 -509.078 GPRESSURE: 3086000 28.6792 102.344 196.12 41.6396 -79.22 201.479 78.1876 84.4549 -442.25 PRESSAVG: 3086000 -31.6067 -6.59061 -58.2147 -6.59066 -4.1411 8.25042 -58.2148 8.2505 -22.8623 GPRESSAVG: 3086000 -33.9859 -7.9551 -56.4139 -5.58145 -3.30885 7.35996 -57.8009 7.7062 -21.5443 TIMING: 3086000 CPU: 9752.54, 0.00316012/step Wall: 9752.54, 0.00316012/step, 1.68013 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3086000 3970.1634 20743.2653 14351.3162 260.1983 -203166.9576 2334.8725 0.0000 0.0000 52398.0970 -109109.0449 301.1326 -161507.1419 -108739.4821 300.9313 -198.0080 -164.2636 761405.8555 -19.5367 -19.6130 PRESSURE: 3086200 -317.751 75.53 -79.0841 75.5299 -25.6629 113.998 -79.0841 113.997 -42.9778 GPRESSURE: 3086200 -216.384 47.347 -113.149 125.837 -24.6196 126.544 -97.0999 111.241 -51.3329 PRESSAVG: 3086200 7.06271 -60.16 -4.21428 -60.16 47.8874 3.12058 -4.21437 3.12055 2.05353 GPRESSAVG: 3086200 6.7346 -58.7449 -5.0016 -61.4532 48.665 1.63314 -4.28464 2.52357 0.866097 TIMING: 3086200 CPU: 9753.17, 0.00315875/step Wall: 9753.17, 0.00315875/step, 1.67923 hours remaining, 239.382812 MB of memory in use. ENERGY: 3086200 4031.7832 20617.5473 14455.5775 244.7210 -203188.4119 2552.4237 0.0000 0.0000 52233.9802 -109052.3790 300.1894 -161286.3592 -108692.7647 300.6134 -128.7973 -97.4454 761770.0420 19.0012 18.7552 PRESSURE: 3086400 -12.6057 67.0524 -57.7046 67.054 -157.874 -140.55 -57.7046 -140.551 189.814 GPRESSURE: 3086400 -29.8344 37.5804 -31.5898 45.1662 -116.899 -180.646 -49.6039 -78.6115 255.013 PRESSAVG: 3086400 8.53804 -39.1753 -36.9382 -39.1752 20.9472 -27.4903 -36.9381 -27.4904 3.58014 GPRESSAVG: 3086400 8.35551 -42.0047 -36.9092 -37.43 20.3683 -27.299 -35.8927 -25.6974 4.03361 TIMING: 3086400 CPU: 9753.81, 0.0031658/step Wall: 9753.81, 0.0031658/step, 1.6828 hours remaining, 239.382812 MB of memory in use. ENERGY: 3086400 4006.3087 20598.8264 14427.3203 256.3612 -203376.3399 2698.9680 0.0000 0.0000 52175.1296 -109213.4256 299.8512 -161388.5553 -108850.2078 300.2989 6.4449 36.0929 762422.0742 11.0218 10.9191 PRESSURE: 3086600 -12.4083 -83.7813 -9.42379 -83.781 271.008 -84.2023 -9.42342 -84.2033 121.006 GPRESSURE: 3086600 38.0988 -57.4365 -73.7636 1.02404 296.426 26.4417 128.433 -223.903 103.068 PRESSAVG: 3086600 47.0709 -71.7996 -2.49193 -71.7996 -33.9691 2.00603 -2.49188 2.00594 7.9128 GPRESSAVG: 3086600 47.76 -70.3804 -3.64281 -72.9411 -34.2154 3.86638 -1.89633 0.868929 7.05889 TIMING: 3086600 CPU: 9754.44, 0.00314827/step Wall: 9754.44, 0.00314827/step, 1.67331 hours remaining, 239.382812 MB of memory in use. ENERGY: 3086600 4007.6868 20647.4957 14522.3170 257.3417 -203333.0212 2488.2947 0.0000 0.0000 52168.3046 -109241.5808 299.8120 -161409.8854 -108873.0562 300.0227 126.5355 145.8641 758719.4736 7.0048 6.8678 PRESSURE: 3086800 149.604 -259.257 10.3874 -259.258 -255.952 -200.081 10.3878 -200.082 101.202 GPRESSURE: 3086800 177.346 -237.534 101.689 -280.99 -225.252 -188.916 -109.869 -269.956 130.242 PRESSAVG: 3086800 58.4054 32.8314 -18.826 32.8313 -39.2667 -0.843022 -18.826 -0.84292 0.4809 GPRESSAVG: 3086800 59.5795 34.1113 -20.0172 32.1313 -40.4754 -1.5884 -22.0941 -0.79845 0.389668 TIMING: 3086800 CPU: 9755.06, 0.00313787/step Wall: 9755.06, 0.00313787/step, 1.6676 hours remaining, 239.382812 MB of memory in use. ENERGY: 3086800 4056.0559 20603.5835 14475.9157 265.6505 -203492.1349 2659.8394 0.0000 0.0000 52076.3602 -109354.7298 299.2836 -161431.0900 -109007.3219 299.9147 -1.7152 27.4451 760536.1515 6.5398 6.4979 PRESSURE: 3087000 -226.208 -227.906 -34.1786 -227.906 -481.255 173.356 -34.1792 173.357 -394.048 GPRESSURE: 3087000 -209.405 -246.433 -76.8846 -163.261 -412.215 242.598 -71.164 119.82 -393.153 PRESSAVG: 3087000 13.9098 -21.0621 -3.11083 -21.0621 -0.226915 36.5019 -3.11081 36.5018 -4.99269 GPRESSAVG: 3087000 12.9973 -21.1935 -2.61141 -21.1414 0.540042 36.8939 -0.79491 35.1071 -4.59257 TIMING: 3087000 CPU: 9755.7, 0.00318681/step Wall: 9755.7, 0.00318681/step, 1.69344 hours remaining, 239.382812 MB of memory in use. ENERGY: 3087000 3990.8513 20510.5577 14489.7802 247.3457 -203289.4353 2391.8762 0.0000 0.0000 52330.9430 -109328.0812 300.7466 -161659.0242 -108964.3011 299.8982 -367.1704 -338.2576 760707.4606 2.8967 2.9816 PRESSURE: 3087200 7.55725 52.4084 -43.635 52.4083 155.156 -137.427 -43.6348 -137.428 -400.613 GPRESSURE: 3087200 -18.7905 -93.9934 36.1288 22.2991 158.826 -103.024 25.9046 -132.16 -287.484 PRESSAVG: 3087200 -5.09806 -1.67115 -42.8438 -1.67116 -15.2323 26.1197 -42.8438 26.1197 4.96327 GPRESSAVG: 3087200 -6.04291 -3.24135 -41.5148 -2.41374 -14.3874 24.5272 -43.4445 28.3954 4.96417 TIMING: 3087200 CPU: 9756.34, 0.00317933/step Wall: 9756.34, 0.00317933/step, 1.68929 hours remaining, 239.382812 MB of memory in use. ENERGY: 3087200 4111.2262 20532.9025 14499.1500 264.0443 -203475.3165 2482.8644 0.0000 0.0000 52256.3377 -109328.7915 300.3179 -161585.1292 -108967.3957 300.4438 -79.2999 -49.1493 759825.7321 -5.1224 -5.1554 PRESSURE: 3087400 -245.68 -116.289 102.091 -116.287 -254.663 91.6597 102.091 91.6596 -346.645 GPRESSURE: 3087400 -193.796 47.0934 92.0147 -149.264 -269.006 41.3086 194.07 83.7055 -288.646 PRESSAVG: 3087400 -34.1998 -44.7397 -49.4884 -44.7397 9.46529 43.0849 -49.4884 43.0848 8.53924 GPRESSAVG: 3087400 -33.5587 -44.0002 -50.3821 -42.5093 8.55812 42.8437 -48.685 44.9836 8.91424 TIMING: 3087400 CPU: 9756.97, 0.00316045/step Wall: 9756.97, 0.00316045/step, 1.67908 hours remaining, 239.382812 MB of memory in use. ENERGY: 3087400 4009.6349 20701.7465 14475.0182 256.8634 -203472.4424 2527.5229 0.0000 0.0000 52080.4899 -109421.1667 299.3073 -161501.6566 -109050.9489 299.8559 -282.3291 -250.4828 762503.3012 -5.3984 -5.3621 PRESSURE: 3087600 21.4205 16.2931 -38.1834 16.2936 -376.478 173.397 -38.1842 173.397 -411.605 GPRESSURE: 3087600 6.66097 -7.69713 8.57445 156.41 -285.442 131.354 -76.2854 319.151 -406.76 PRESSAVG: 3087600 -23.3327 -26.1611 -2.95017 -26.1611 30.6544 50.4438 -2.95017 50.4437 -4.90691 GPRESSAVG: 3087600 -22.778 -26.5103 -1.55608 -26.6795 30.5887 53.1989 -4.01521 45.1728 -5.53729 TIMING: 3087600 CPU: 9757.59, 0.00312821/step Wall: 9757.59, 0.0031282/step, 1.66177 hours remaining, 239.382812 MB of memory in use. ENERGY: 3087600 4060.5254 20672.1969 14458.8058 252.3319 -203295.8652 2153.7266 0.0000 0.0000 52124.1088 -109574.1699 299.5580 -161698.2786 -109208.0950 299.7512 -255.5541 -228.5137 760066.7660 0.8049 0.7578 PRESSURE: 3087800 -50.0079 36.3046 204.175 36.3054 -178.666 149.814 204.175 149.814 -157.943 GPRESSURE: 3087800 -13.6221 -14.6794 226.877 -4.9165 -149.582 190.541 65.7388 167.781 -159.476 PRESSAVG: 3087800 -20.5055 -46.0152 -44.2238 -46.0151 19.6002 -8.07756 -44.2238 -8.07759 3.06288 GPRESSAVG: 3087800 -22.2552 -45.9302 -43.3476 -47.8724 20.5958 -9.0026 -43.5231 -5.57111 3.7443 TIMING: 3087800 CPU: 9758.22, 0.0031265/step Wall: 9758.22, 0.0031265/step, 1.66069 hours remaining, 239.382812 MB of memory in use. ENERGY: 3087800 4019.3721 20809.2563 14445.8151 238.6190 -203641.2281 2470.2782 0.0000 0.0000 52413.2804 -109244.6069 301.2198 -161657.8874 -108877.9277 300.1122 -128.8724 -107.5601 760519.8711 0.7192 0.6950 PRESSURE: 3088000 69.1313 1.29333 -76.4756 1.29279 -41.3779 -190.681 -76.4756 -190.68 174.13 GPRESSURE: 3088000 120.534 110.675 -173.011 -104.439 -60.3475 -206.58 70.6682 -32.8792 240.897 PRESSAVG: 3088000 49.2602 -17.5275 -21.5191 -17.5274 -38.1369 -4.17882 -21.519 -4.17883 -4.27992 GPRESSAVG: 3088000 50.6641 -18.4441 -23.1847 -17.1141 -38.7066 -3.84406 -20.7996 -4.12785 -4.44664 TIMING: 3088000 CPU: 9758.85, 0.00314151/step Wall: 9758.85, 0.00314151/step, 1.66849 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3088000 3963.4238 20589.8503 14470.4763 242.1333 -203788.6439 2676.2372 0.0000 0.0000 52218.3711 -109628.1518 300.0997 -161846.5229 -109261.4549 299.7380 67.2944 100.3610 758122.8125 2.2811 2.5036 PRESSURE: 3088200 226.082 -190.57 143.988 -190.571 98.8713 -83.304 143.988 -83.3046 354.804 GPRESSURE: 3088200 180.791 -224.597 130.221 -140.868 90.2676 -108.19 -38.143 -63.7681 486.312 PRESSAVG: 3088200 38.2896 -62.1929 1.54719 -62.1929 -44.2586 -14.5201 1.54718 -14.5201 -5.15245 GPRESSAVG: 3088200 37.2699 -61.9965 0.50613 -60.1848 -45.2448 -14.2423 0.150234 -14.5525 -2.73595 TIMING: 3088200 CPU: 9759.47, 0.00313539/step Wall: 9759.47, 0.00313539/step, 1.66507 hours remaining, 239.382812 MB of memory in use. ENERGY: 3088200 3827.5758 20779.0081 14521.6955 240.5122 -203774.6662 2796.1480 0.0000 0.0000 52067.0988 -109542.6278 299.2303 -161609.7266 -109178.1402 298.9438 226.5856 252.4569 760618.6546 -3.7071 -3.5703 LDB: ============= START OF LOAD BALANCING ============== 9771.87 LDB: ============== END OF LOAD BALANCING =============== 9771.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9771.87 LDB: ============= START OF LOAD BALANCING ============== 9772.19 LDB: Largest compute 7031 load 0.031769 is 16.2% of average load 0.196102 LDB: Average compute 0.004393 is 2.2% of average load 0.196102 LDB: TIME 9772.19 LOAD: AVG 0.196102 MAX 0.216889 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.855 MB LDB: TIME 9772.19 LOAD: AVG 0.196102 MAX 0.216889 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.855 MB LDB: TIME 9772.19 LOAD: AVG 0.196102 MAX 0.216889 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.855 MB LDB: ============== END OF LOAD BALANCING =============== 9772.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9772.2 PRESSURE: 3088400 -394.646 73.0859 241.124 73.0859 -277.456 145.777 241.124 145.774 36.8956 GPRESSURE: 3088400 -350.272 39.3907 222.574 -36.2858 -254.308 82.772 222.137 97.5046 51.7857 PRESSAVG: 3088400 24.0278 -126.131 -2.77054 -126.131 -1.24053 7.06906 -2.77051 7.06908 -4.04955 GPRESSAVG: 3088400 23.1536 -126.983 -1.79577 -125.235 0.124896 4.86134 -1.63277 6.50115 -4.3757 TIMING: 3088400 CPU: 9760.12, 0.00321159/step Wall: 9760.12, 0.00321159/step, 1.70536 hours remaining, 239.636719 MB of memory in use. ENERGY: 3088400 3977.7551 20632.3352 14470.0255 233.5328 -203635.2712 2536.9749 0.0000 0.0000 52231.9580 -109552.6897 300.1778 -161784.6478 -109194.5041 299.5762 -211.7353 -184.2649 761793.1644 6.2459 6.3009 PRESSURE: 3088600 -27.8132 113.239 -194.559 113.24 -59.091 112.753 -194.559 112.753 54.3177 GPRESSURE: 3088600 78.3969 245.412 -129.017 -1.1082 -75.1668 224.042 -113.696 87.0371 43.6245 PRESSAVG: 3088600 5.87317 -76.6875 3.03184 -76.6876 -10.0726 -2.03229 3.03191 -2.03231 3.61889 GPRESSAVG: 3088600 7.88587 -73.1346 2.80878 -78.5091 -11.4203 -2.1461 3.50464 -2.03123 2.83622 TIMING: 3088600 CPU: 9760.75, 0.00314445/step Wall: 9760.75, 0.00314445/step, 1.66953 hours remaining, 239.839844 MB of memory in use. ENERGY: 3088600 3925.3239 20597.4104 14490.3628 247.0747 -203767.5011 2913.3335 0.0000 0.0000 52006.4634 -109587.5324 298.8819 -161593.9958 -109216.7284 299.6823 -10.8622 15.6182 760777.7387 -0.1935 -0.2328 PRESSURE: 3088800 -108.29 77.4071 52.0152 77.4066 67.9092 78.0079 52.0145 78.0092 -248.043 GPRESSURE: 3088800 23.1677 -46.3414 -22.448 52.9969 42.6422 62.8694 -1.25801 224.67 -268.301 PRESSAVG: 3088800 -21.5883 -42.5051 -29.9785 -42.505 -25.2762 -3.4709 -29.9785 -3.47091 4.94242 GPRESSAVG: 3088800 -22.7117 -44.608 -29.3131 -42.7755 -23.7708 -3.52676 -31.5468 -2.67445 4.84907 TIMING: 3088800 CPU: 9761.38, 0.0031514/step Wall: 9761.38, 0.0031514/step, 1.67304 hours remaining, 239.839844 MB of memory in use. ENERGY: 3088800 3965.6695 20685.8482 14535.9081 234.6882 -203812.9930 2831.1513 0.0000 0.0000 51867.2879 -109692.4397 298.0820 -161559.7276 -109326.7081 299.1287 -96.1411 -67.4970 760965.9424 -13.9740 -13.8778 PRESSURE: 3089000 -122.749 -280.535 109.375 -280.536 -296.415 185.877 109.375 185.876 -392.049 GPRESSURE: 3089000 -26.8761 -200.387 79.9973 -258.648 -311.018 215.169 115.113 133.948 -426.924 PRESSAVG: 3089000 -25.0756 -30.9153 -22.458 -30.9154 19.2838 35.6477 -22.458 35.6477 8.2857 GPRESSAVG: 3089000 -24.1283 -30.8093 -22.9605 -29.4586 18.9445 37.2981 -21.6006 35.1709 7.56233 TIMING: 3089000 CPU: 9762.01, 0.00317072/step Wall: 9762.01, 0.00317072/step, 1.68312 hours remaining, 239.839844 MB of memory in use. ENERGY: 3089000 4031.6638 20699.0557 14511.4205 222.6349 -203806.6794 2625.2516 0.0000 0.0000 52040.2979 -109676.3550 299.0763 -161716.6529 -109315.0587 298.5546 -270.4041 -254.9393 760490.2225 0.8313 0.7928 PRESSURE: 3089200 -101.906 -3.31508 269.819 -3.31537 50.1008 -30.68 269.82 -30.6795 222.295 GPRESSURE: 3089200 -72.5721 -17.986 314.303 -6.12747 56.5524 -11.5075 275.18 27.4678 257.533 PRESSAVG: 3089200 -36.8795 -60.1532 11.823 -60.1532 12.0762 -19.156 11.8231 -19.156 35.3209 GPRESSAVG: 3089200 -36.3809 -60.6343 11.6909 -60.0238 11.5589 -19.3242 11.6522 -19.5378 35.3712 TIMING: 3089200 CPU: 9762.65, 0.00318565/step Wall: 9762.65, 0.00318565/step, 1.69087 hours remaining, 239.839844 MB of memory in use. ENERGY: 3089200 3954.9451 20784.9655 14374.7791 235.1761 -203872.1313 2909.5123 0.0000 0.0000 51823.2512 -109789.5019 297.8289 -161612.7532 -109429.1214 299.2650 56.8297 80.5045 760443.7242 3.5059 3.5164 PRESSURE: 3089400 203.459 -41.5651 3.35722 -41.5655 5.06187 -8.29171 3.35704 -8.29116 289.258 GPRESSURE: 3089400 278.371 -129.11 -42.8264 -20.7184 5.82966 98.2549 -35.5756 20.3953 282.011 PRESSAVG: 3089400 -0.940978 -48.2145 -18.0868 -48.2145 36.1846 -21.4438 -18.0867 -21.4438 31.9284 GPRESSAVG: 3089400 -2.27851 -49.1938 -18.1389 -48.6529 36.2236 -23.4153 -16.6068 -20.6936 32.7703 TIMING: 3089400 CPU: 9763.28, 0.00314805/step Wall: 9763.28, 0.00314805/step, 1.67074 hours remaining, 239.839844 MB of memory in use. ENERGY: 3089400 3982.0467 20462.1285 14332.3118 255.7491 -203710.3341 2682.0710 0.0000 0.0000 52127.6729 -109868.3541 299.5785 -161996.0270 -109502.2744 298.9292 165.9262 188.7372 760892.6701 22.3907 22.2384 PRESSURE: 3089600 146.313 -127.222 -277.076 -127.223 488.584 44.5806 -277.076 44.58 368.28 GPRESSURE: 3089600 237.827 -27.1654 -273.383 -92.8744 444.126 11.2506 -361.747 166.32 408.317 PRESSAVG: 3089600 16.5171 -33.4345 -21.9429 -33.4345 -0.960775 -7.11233 -21.9429 -7.1123 -5.61586 GPRESSAVG: 3089600 17.6534 -31.9589 -22.1137 -34.1905 -0.630104 -5.32636 -23.9929 -6.56729 -7.10396 TIMING: 3089600 CPU: 9763.91, 0.00315199/step Wall: 9763.91, 0.00315199/step, 1.67266 hours remaining, 239.839844 MB of memory in use. ENERGY: 3089600 4008.9448 20540.4924 14475.4212 241.9297 -203846.1218 2735.9707 0.0000 0.0000 52007.2344 -109836.1288 298.8863 -161843.3631 -109471.7044 298.8474 334.3923 363.4235 758794.4301 3.3135 3.3065 PRESSURE: 3089800 -176.973 42.5552 -59.9655 42.5553 -198.299 -48.2186 -59.9649 -48.2174 16.8819 GPRESSURE: 3089800 -157.134 95.4326 -118.169 -50.5073 -141.168 -90.6538 51.5758 -4.50163 34.775 PRESSAVG: 3089800 -35.1239 -41.327 33.8234 -41.3269 9.76748 2.4392 33.8234 2.43922 5.79907 GPRESSAVG: 3089800 -36.1062 -41.6902 34.1183 -38.594 9.17517 1.37839 34.8234 1.62782 7.68257 TIMING: 3089800 CPU: 9764.54, 0.00314282/step Wall: 9764.54, 0.00314282/step, 1.66761 hours remaining, 239.839844 MB of memory in use. ENERGY: 3089800 3966.0595 20618.3480 14425.9197 220.8990 -203132.3698 2255.1800 0.0000 0.0000 51709.3945 -109936.5691 297.1746 -161645.9636 -109586.3907 298.3788 -119.4633 -87.8425 761497.0213 -6.5191 -6.4162 PRESSURE: 3090000 358.046 -40.8965 239.048 -40.8961 -147.969 -278.909 239.048 -278.91 214.645 GPRESSURE: 3090000 382.252 5.13069 201.397 -108.117 -87.9242 -329.063 330.937 -186.683 224.006 PRESSAVG: 3090000 16.1395 -9.85835 47.0185 -9.85828 -17.8557 -28.877 47.0185 -28.877 15.6852 GPRESSAVG: 3090000 14.8867 -9.9555 47.9103 -11.2723 -16.2905 -28.5038 48.3021 -27.8665 15.1408 TIMING: 3090000 CPU: 9765.16, 0.00314214/step Wall: 9765.16, 0.00314215/step, 1.66708 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3090000 3885.3076 20507.1386 14340.1453 217.2441 -203584.5540 2906.3228 0.0000 0.0000 51957.6361 -109770.7594 298.6012 -161728.3956 -109410.7560 298.3437 141.5739 172.7779 760623.2945 4.6563 4.5790 PRESSURE: 3090200 -419.514 178.351 -98.5393 178.351 -91.307 64.0213 -98.5398 64.021 340.238 GPRESSURE: 3090200 -361.131 107.323 -92.2763 190.737 -60.7467 56.1238 -117.706 -3.3907 352.161 PRESSAVG: 3090200 10.9657 -51.096 21.0657 -51.096 -2.06681 -42.983 21.0657 -42.983 15.703 GPRESSAVG: 3090200 12.8229 -50.9398 20.6822 -50.5911 -3.55271 -42.1983 18.8459 -45.5081 15.7725 TIMING: 3090200 CPU: 9765.79, 0.00313215/step Wall: 9765.79, 0.00313215/step, 1.66161 hours remaining, 239.839844 MB of memory in use. ENERGY: 3090200 4032.3452 20557.6990 14414.4262 243.3067 -203557.4203 2752.6045 0.0000 0.0000 51947.3609 -109609.6778 298.5422 -161557.0387 -109261.3332 298.9746 -56.8609 -23.2387 761886.3250 8.2006 8.3475 PRESSURE: 3090400 -219.552 -38.2563 -69.325 -38.2558 -387.365 91.7141 -69.3246 91.7144 -468.171 GPRESSURE: 3090400 -286.521 -68.5164 -47.5283 -72.6115 -217.273 104.842 -86.2438 128.175 -485.824 PRESSAVG: 3090400 -16.5646 -43.3261 -26.7787 -43.3261 -7.94583 -28.342 -26.7787 -28.342 -3.10888 GPRESSAVG: 3090400 -17.03 -43.2562 -26.0146 -43.4031 -7.45796 -28.3154 -26.7479 -26.3152 -2.9725 TIMING: 3090400 CPU: 9766.42, 0.00314549/step Wall: 9766.42, 0.00314549/step, 1.66851 hours remaining, 239.839844 MB of memory in use. ENERGY: 3090400 4010.0201 20585.6725 14402.9715 241.5773 -203458.3025 2646.8450 0.0000 0.0000 51846.1386 -109725.0774 297.9605 -161571.2160 -109359.3419 298.2781 -358.3628 -329.8727 761259.4558 -9.2064 -9.1535 PRESSURE: 3090600 274.256 225.058 -27.0656 225.058 14.9729 120.284 -27.0648 120.285 70.5308 GPRESSURE: 3090600 250.071 116.417 48.2853 72.5764 98.9019 106.205 -190.839 95.9702 108.538 PRESSAVG: 3090600 -47.701 7.79171 3.23766 7.79169 20.8357 -3.76825 3.23757 -3.7682 4.57341 GPRESSAVG: 3090600 -48.3889 7.96072 2.48433 4.56338 21.8208 -2.61323 4.34606 -5.6305 4.47898 TIMING: 3090600 CPU: 9767.05, 0.00316667/step Wall: 9767.05, 0.00316667/step, 1.67957 hours remaining, 239.839844 MB of memory in use. ENERGY: 3090600 4023.1845 20385.4056 14310.1278 245.6876 -203839.6777 2963.7344 0.0000 0.0000 51953.3895 -109958.1484 298.5768 -161911.5379 -109585.9634 298.3310 119.9199 152.5034 760630.5677 -7.4306 -7.3631 PRESSURE: 3090800 41.1932 -18.9954 -3.42828 -18.9958 146.549 -44.7719 -3.4285 -44.7728 -41.1912 GPRESSURE: 3090800 34.977 -104.249 157.297 -17.097 144.559 -77.7034 -37.5827 -42.454 35.8182 PRESSAVG: 3090800 -15.287 -3.68301 21.9014 -3.683 38.8718 -31.5663 21.9013 -31.5664 -11.1488 GPRESSAVG: 3090800 -13.9389 -4.91556 22.4809 -1.65371 37.4997 -32.6221 21.6964 -31.2189 -11.4463 TIMING: 3090800 CPU: 9767.69, 0.00315908/step Wall: 9767.69, 0.00315908/step, 1.67537 hours remaining, 239.839844 MB of memory in use. ENERGY: 3090800 3992.6179 20495.4706 14390.8172 245.1423 -203496.0434 2603.5164 0.0000 0.0000 51979.3666 -109789.1124 298.7261 -161768.4790 -109429.0021 298.1117 48.8504 71.7848 760030.8138 4.1453 4.0382 PRESSURE: 3091000 -63.0288 -39.8672 234.247 -39.8672 -94.4802 69.8769 234.248 69.8771 -121.153 GPRESSURE: 3091000 -17.2515 -106.368 152.995 -77.7824 -25.8766 67.5737 221.969 -39.1457 -130.222 PRESSAVG: 3091000 15.4211 -87.1184 10.9138 -87.1183 -11.9904 -20.1664 10.9138 -20.1664 2.04327 GPRESSAVG: 3091000 13.4808 -87.2407 10.4193 -85.5782 -9.88724 -18.7038 10.067 -19.8969 1.16278 TIMING: 3091000 CPU: 9768.31, 0.0031322/step Wall: 9768.31, 0.0031322/step, 1.66094 hours remaining, 239.839844 MB of memory in use. ENERGY: 3091000 4024.3243 20455.4848 14407.9193 250.3870 -203429.7383 2321.7932 0.0000 0.0000 51999.4196 -109970.4100 298.8414 -161969.8296 -109610.4548 298.0896 -92.8872 -57.7833 759356.5600 1.8246 1.5854 PRESSURE: 3091200 -261.413 3.41974 236.298 3.41995 -190.815 124.247 236.297 124.247 -217.008 GPRESSURE: 3091200 -235.573 87.6495 220.799 -108.76 -193.293 112.77 289.59 29.4674 -149.618 PRESSAVG: 3091200 -20.4446 -40.7957 -17.2048 -40.7957 13.5332 36.3121 -17.2048 36.3121 4.37293 GPRESSAVG: 3091200 -20.3514 -40.842 -17.4615 -44.0263 12.8485 34.8321 -18.1609 35.7796 5.07676 TIMING: 3091200 CPU: 9768.94, 0.00313455/step Wall: 9768.94, 0.00313455/step, 1.66201 hours remaining, 239.839844 MB of memory in use. ENERGY: 3091200 4052.5957 20470.8061 14469.3239 233.1991 -203928.4649 2741.6769 0.0000 0.0000 52028.5166 -109932.3466 299.0086 -161960.8631 -109582.8607 298.8236 -223.0786 -192.8279 760115.6061 -0.8462 -0.8087 PRESSURE: 3091400 -153.857 -179.111 -269.229 -179.11 -95.4267 -7.38142 -269.23 -7.38216 -261.645 GPRESSURE: 3091400 -136.709 -83.1367 -198.352 -133.525 -56.8138 45.017 -172.291 39.2827 -261.798 PRESSAVG: 3091400 -15.8622 4.87203 -23.8166 4.87206 -13.1622 80.0263 -23.8166 80.0264 -12.4743 GPRESSAVG: 3091400 -15.5142 6.9311 -24.4364 5.16397 -12.4341 77.9141 -22.1576 82.1358 -13.0252 TIMING: 3091400 CPU: 9769.57, 0.0031564/step Wall: 9769.57, 0.0031564/step, 1.67342 hours remaining, 239.839844 MB of memory in use. ENERGY: 3091400 3976.6993 20642.7391 14389.7239 239.6785 -203710.4064 2461.5686 0.0000 0.0000 52057.7781 -109942.2190 299.1768 -161999.9971 -109575.3847 298.9761 -170.3097 -151.7736 760479.5759 -13.8329 -13.6578 PRESSURE: 3091600 -172.866 98.0759 -256.221 98.076 -82.387 117.796 -256.221 117.795 363.808 GPRESSURE: 3091600 -84.3324 31.3865 -246.735 61.9501 -88.287 109.132 -239.774 41.8667 379.724 PRESSAVG: 3091600 -27.3608 -23.2035 16.3046 -23.2036 17.9058 -5.53369 16.3046 -5.53368 -3.19682 GPRESSAVG: 3091600 -25.9423 -25.8234 17.46 -21.7075 16.2075 -2.11647 17.5488 -6.37137 -2.93893 TIMING: 3091600 CPU: 9770.2, 0.0031461/step Wall: 9770.2, 0.0031461/step, 1.66778 hours remaining, 239.839844 MB of memory in use. ENERGY: 3091600 3938.5661 20725.2747 14457.4889 237.9212 -203987.3814 2843.9920 0.0000 0.0000 52080.1595 -109703.9790 299.3054 -161784.1385 -109346.1704 298.9355 36.1850 69.0347 760316.6721 -4.2173 -4.2246 PRESSURE: 3091800 -84.3337 -190.049 198.227 -190.048 37.1094 40.6805 198.226 40.6807 -337.603 GPRESSURE: 3091800 12.3002 -244.118 194.655 -183.385 -11.1176 -17.0028 123.823 5.34076 -287.414 PRESSAVG: 3091800 -14.2709 -82.6763 80.9079 -82.6763 50.1796 -41.0936 80.9079 -41.0936 -16.5205 GPRESSAVG: 3091800 -15.8113 -81.2533 80.4445 -84.3253 51.523 -42.039 79.2922 -41.9101 -16.1201 TIMING: 3091800 CPU: 9770.83, 0.0031566/step Wall: 9770.83, 0.0031566/step, 1.67317 hours remaining, 239.839844 MB of memory in use. ENERGY: 3091800 3985.7413 20650.2622 14347.2373 250.9658 -203691.7197 2578.5057 0.0000 0.0000 52118.4752 -109760.5323 299.5256 -161879.0075 -109403.0440 299.5021 -128.2759 -95.4106 761762.2756 6.4627 6.5305 PRESSURE: 3092000 -11.8328 64.6941 5.02446 64.6945 -141.149 -126.331 5.02438 -126.331 3.72859 GPRESSURE: 3092000 -59.2805 59.2059 -42.096 30.2882 -89.6895 -64.7705 -54.6998 -150.901 79.8977 PRESSAVG: 3092000 -19.4985 -41.8074 30.6575 -41.8074 13.7298 24.582 30.6574 24.582 -15.6351 GPRESSAVG: 3092000 -19.3139 -43.1842 31.7951 -38.6217 13.2622 25.2468 29.5436 25.2409 -15.4819 TIMING: 3092000 CPU: 9771.46, 0.00317161/step Wall: 9771.46, 0.00317161/step, 1.68095 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3092000 3939.7053 20564.6519 14415.8528 266.2015 -203811.4280 2742.0998 0.0000 0.0000 51993.5343 -109889.3824 298.8076 -161882.9167 -109534.9060 299.2308 -49.7511 -23.0241 760334.3006 -7.1346 -7.1779 PRESSURE: 3092200 115.379 -174.106 -95.4258 -174.106 -123.087 40.9224 -95.425 40.9215 263.622 GPRESSURE: 3092200 184.125 -134.584 -34.7567 -243.799 -91.619 -61.4292 16.2966 86.6722 242.847 PRESSAVG: 3092200 7.52162 -55.6685 46.0509 -55.6685 46.7504 23.9685 46.051 23.9686 -0.194699 GPRESSAVG: 3092200 8.33632 -54.3305 46.0507 -59.0216 48.0108 24.0901 47.3739 22.9479 -1.90765 TIMING: 3092200 CPU: 9772.1, 0.00316015/step Wall: 9772.1, 0.00316015/step, 1.6747 hours remaining, 239.839844 MB of memory in use. ENERGY: 3092200 4015.0930 20742.8201 14450.1088 260.3307 -203819.3712 2550.5729 0.0000 0.0000 51893.7585 -109906.6872 298.2341 -161800.4457 -109553.2136 298.9997 85.3046 111.7845 760005.8207 18.0258 18.1465 LDB: ============= START OF LOAD BALANCING ============== 9784.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9784.5 LDB: =============== DONE WITH MIGRATION ================ 9784.5 LDB: ============= START OF LOAD BALANCING ============== 9784.81 LDB: Largest compute 7058 load 0.032199 is 16.4% of average load 0.196068 LDB: Average compute 0.004376 is 2.2% of average load 0.196068 LDB: TIME 9784.82 LOAD: AVG 0.196068 MAX 0.217599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 9784.82 LOAD: AVG 0.196068 MAX 0.217599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 9784.82 LOAD: AVG 0.196068 MAX 0.217599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9784.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9784.83 PRESSURE: 3092400 -302.458 5.04217 -9.22636 5.04171 -227.264 -222.217 -9.22547 -222.217 518.089 GPRESSURE: 3092400 -215.199 30.5207 -112.946 93.1526 -241.956 -233.849 -11.9021 -109.092 518.951 PRESSAVG: 3092400 -64.5785 -26.8348 27.3059 -26.8348 12.547 35.546 27.3059 35.546 12.0728 GPRESSAVG: 3092400 -65.4496 -26.5668 27.136 -26.8087 11.0394 33.128 28.115 39.1083 14.4775 TIMING: 3092400 CPU: 9772.74, 0.0032358/step Wall: 9772.74, 0.0032358/step, 1.71461 hours remaining, 238.613281 MB of memory in use. ENERGY: 3092400 3974.1455 20611.0174 14401.4418 255.9730 -203851.3209 2693.4798 0.0000 0.0000 51910.7329 -110004.5306 298.3317 -161915.2634 -109635.6772 298.2455 -3.8778 20.5985 761792.9240 -13.3196 -13.3109 PRESSURE: 3092600 2.02038 -68.6086 87.7459 -68.6091 -39.8634 72.1333 87.7447 72.1329 -323.435 GPRESSURE: 3092600 -0.37157 -53.3824 62.2921 -68.5017 14.621 176.369 79.501 77.238 -290.62 PRESSAVG: 3092600 36.1867 19.6271 -7.24355 19.6272 -19.9382 42.5294 -7.2436 42.5295 -11.0893 GPRESSAVG: 3092600 37.7234 20.3682 -6.65485 20.6978 -19.8082 42.6462 -9.8103 42.1664 -12.2282 TIMING: 3092600 CPU: 9773.37, 0.00314161/step Wall: 9773.37, 0.00314161/step, 1.66453 hours remaining, 238.816406 MB of memory in use. ENERGY: 3092600 4030.4843 20546.7402 14416.5493 251.1885 -203684.3475 2550.9116 0.0000 0.0000 51941.3273 -109947.1463 298.5075 -161888.4736 -109599.4207 299.0159 -120.4260 -92.1235 760297.6341 1.7197 1.8957 PRESSURE: 3092800 -3.90108 58.1636 -155.601 58.1635 48.9701 338.295 -155.6 338.295 -367.405 GPRESSURE: 3092800 30.8892 68.5811 -118.55 119.75 107.686 362.696 -23.2571 253.632 -355.902 PRESSAVG: 3092800 -12.6112 -29.4158 24.2492 -29.4158 44.5425 24.3633 24.2493 24.3633 -4.91052 GPRESSAVG: 3092800 -14.3302 -29.858 22.7456 -28.6403 46.7476 24.9393 27.5512 23.7258 -5.45413 TIMING: 3092800 CPU: 9774, 0.00315561/step Wall: 9774, 0.00315561/step, 1.67177 hours remaining, 238.816406 MB of memory in use. ENERGY: 3092800 4090.5873 20500.8170 14322.3882 254.5892 -203505.1763 2614.2186 0.0000 0.0000 52048.1363 -109674.4397 299.1214 -161722.5761 -109319.5941 298.9744 -107.4454 -72.4422 761807.0329 9.0069 8.9878 PRESSURE: 3093000 -173.952 -30.2044 -5.27676 -30.2044 31.621 -162.468 -5.2767 -162.468 327.993 GPRESSURE: 3093000 -18.349 -6.61584 10.387 -22.7298 36.1586 -152.935 -186.747 -51.4395 258.862 PRESSAVG: 3093000 8.70734 -4.82553 -65.406 -4.82544 12.5258 15.6697 -65.406 15.6697 -10.5163 GPRESSAVG: 3093000 9.25619 -5.42158 -64.41 -2.72102 11.3505 14.6117 -67.7304 15.3445 -10.222 TIMING: 3093000 CPU: 9774.63, 0.00314942/step Wall: 9774.63, 0.00314942/step, 1.66832 hours remaining, 238.816406 MB of memory in use. ENERGY: 3093000 3995.0287 20448.0625 14454.1223 229.6522 -203364.0657 2471.0346 0.0000 0.0000 52143.1358 -109623.0296 299.6673 -161766.1654 -109257.1571 299.4577 61.8873 92.2240 761910.9054 3.5723 3.4616 PRESSURE: 3093200 -147.406 -23.1117 -160.234 -23.1109 67.285 188.588 -160.234 188.587 -62.4421 GPRESSURE: 3093200 -112.879 -71.0721 -59.9417 9.90062 211.063 266.04 -163.64 206.834 -160.746 PRESSAVG: 3093200 -15.8327 -9.03741 -47.5315 -9.03736 -9.70023 47.7263 -47.5315 47.7263 -17.2607 GPRESSAVG: 3093200 -15.3002 -8.24443 -46.0257 -11.4698 -9.21455 50.0845 -48.846 45.4688 -19.0108 TIMING: 3093200 CPU: 9775.27, 0.00316875/step Wall: 9775.27, 0.00316875/step, 1.67838 hours remaining, 238.816406 MB of memory in use. ENERGY: 3093200 4022.1404 20466.9161 14427.7915 247.0081 -203718.6300 2598.3785 0.0000 0.0000 52097.9570 -109858.4384 299.4077 -161956.3954 -109503.9372 298.8834 -47.5212 -20.8543 761965.5839 -14.2645 -14.5085 PRESSURE: 3093400 8.95509 -111.908 137.133 -111.909 335.259 138.661 137.133 138.661 160.946 GPRESSURE: 3093400 37.5107 -109.936 112.859 -164.763 305.012 141.45 227.868 77.4647 254.131 PRESSAVG: 3093400 8.3783 -16.756 26.3123 -16.7561 11.8649 101.518 26.3123 101.518 -4.56465 GPRESSAVG: 3093400 7.84688 -17.6157 25.6091 -15.3548 10.6147 100.294 29.3442 101.834 -2.8909 TIMING: 3093400 CPU: 9775.9, 0.00315079/step Wall: 9775.9, 0.00315079/step, 1.66869 hours remaining, 238.816406 MB of memory in use. ENERGY: 3093400 3956.7562 20292.6141 14450.4180 244.4222 -203606.0755 2656.7917 0.0000 0.0000 52071.3052 -109933.7680 299.2545 -162005.0732 -109578.1561 298.6999 168.3865 198.8846 759601.3210 5.2262 5.1902 PRESSURE: 3093600 138.596 -74.153 67.665 -74.153 103.288 46.0049 67.6651 46.0046 259.498 GPRESSURE: 3093600 280.823 -168.488 -28.0575 -112.115 55.4293 -32.5697 78.1682 117.54 227.252 PRESSAVG: 3093600 29.7157 -35.174 1.06504 -35.1739 -81.4554 50.2078 1.06504 50.2078 -8.44027 GPRESSAVG: 3093600 30.1949 -33.8751 0.793228 -36.9398 -81.4637 48.679 -1.52759 51.3032 -9.43475 TIMING: 3093600 CPU: 9776.53, 0.00317267/step Wall: 9776.53, 0.00317267/step, 1.6801 hours remaining, 238.816406 MB of memory in use. ENERGY: 3093600 4026.7399 20448.8514 14464.1798 235.7574 -203837.5455 2373.8478 0.0000 0.0000 52311.9769 -109976.1922 300.6377 -162288.1691 -109610.9890 298.8025 167.1273 187.8348 759380.1566 -20.0600 -20.2345 PRESSURE: 3093800 -473.802 -167.643 56.2802 -167.643 -38.9568 -119.321 56.2801 -119.322 -3.78878 GPRESSURE: 3093800 -412.918 -154.689 96.9284 -154.986 -8.94668 -113.503 96.6579 54.2669 -32.5458 PRESSAVG: 3093800 -45.1527 -46.2857 17.6851 -46.2857 38.6829 22.8215 17.6851 22.8215 7.34014 GPRESSAVG: 3093800 -46.3854 -49.2312 17.073 -46.0155 39.9608 25.6657 20.5597 20.6015 7.30621 TIMING: 3093800 CPU: 9777.16, 0.00315154/step Wall: 9777.16, 0.00315154/step, 1.66874 hours remaining, 238.816406 MB of memory in use. ENERGY: 3093800 3967.0536 20555.2056 14477.4112 246.5220 -203183.2769 2225.0246 0.0000 0.0000 51714.8454 -109997.2144 297.2059 -161712.0598 -109633.8661 298.5727 -172.1825 -151.4700 761151.4840 0.2901 0.2939 PRESSURE: 3094000 111.665 42.208 138.168 42.208 235.549 317.38 138.167 317.381 -64.5244 GPRESSURE: 3094000 75.0687 42.73 187.254 87.9822 283.343 242.726 86.7123 214.318 3.20217 PRESSAVG: 3094000 14.65 -23.9816 -44.3747 -23.9816 -2.1766 2.96011 -44.3746 2.96012 -17.4583 GPRESSAVG: 3094000 14.811 -21.9721 -43.9521 -24.3886 -1.97219 1.95942 -46.7048 4.71613 -17.6394 TIMING: 3094000 CPU: 9777.79, 0.00314404/step Wall: 9777.79, 0.00314404/step, 1.66459 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3094000 3969.0578 20516.9072 14361.9171 235.9538 -203558.5098 2829.9636 0.0000 0.0000 51752.6297 -109892.0806 297.4231 -161644.7104 -109526.4017 298.2451 94.2298 120.5379 762497.9522 -1.6617 -1.6002 PRESSURE: 3094200 -81.7323 109.174 -122.511 109.173 33.603 -172.666 -122.511 -172.666 201.845 GPRESSURE: 3094200 -61.1621 -43.497 -118.782 -15.0576 105.625 -104.344 -149.336 -105.636 195.793 PRESSAVG: 3094200 21.4714 -64.4024 -62.0633 -64.4024 -27.6874 -4.52222 -62.0633 -4.52224 -19.2378 GPRESSAVG: 3094200 22.0548 -63.9636 -60.995 -63.2241 -26.6443 -4.30841 -61.121 -7.8924 -20.1437 TIMING: 3094200 CPU: 9778.42, 0.00315445/step Wall: 9778.42, 0.00315445/step, 1.66993 hours remaining, 238.816406 MB of memory in use. ENERGY: 3094200 4017.0067 20431.8965 14481.4711 250.6905 -203731.4359 2695.5021 0.0000 0.0000 52014.8913 -109839.9778 298.9303 -161854.8691 -109473.7789 298.2913 51.2386 80.0853 761486.2272 -8.4846 -8.2444 PRESSURE: 3094400 -170.742 -29.1698 -317.267 -29.1689 -121.152 -29.8235 -317.266 -29.8222 -353.282 GPRESSURE: 3094400 -128.206 -1.85342 -260.031 -138.563 -84.4602 53.0423 -226.214 -152.259 -326.23 PRESSAVG: 3094400 36.7805 -51.1967 -11.4687 -51.1967 -59.3434 27.2597 -11.4688 27.2596 -2.81553 GPRESSAVG: 3094400 37.901 -51.2599 -11.0051 -53.1913 -62.153 26.8271 -10.0272 29.3674 -1.09995 TIMING: 3094400 CPU: 9779.05, 0.00314394/step Wall: 9779.05, 0.00314394/step, 1.66419 hours remaining, 238.816406 MB of memory in use. ENERGY: 3094400 4069.8169 20474.7800 14478.0526 241.9355 -203566.8862 2562.5273 0.0000 0.0000 51969.6857 -109770.0881 298.6705 -161739.7738 -109398.1275 298.8474 -215.0585 -179.6319 761930.3115 -8.4595 -8.4507 PRESSURE: 3094600 -544.52 -190.086 162.18 -190.086 -291.891 11.0869 162.18 11.0866 -44.6155 GPRESSURE: 3094600 -427.879 -156.7 143.184 -124.826 -335.866 -2.94879 161.034 85.8916 -25.8995 PRESSAVG: 3094600 -8.82026 -79.8191 -18.0754 -79.8191 9.58834 30.8828 -18.0754 30.8828 -5.94068 GPRESSAVG: 3094600 -9.07324 -81.34 -20.1415 -80.5486 10.5553 31.4605 -19.2666 30.5934 -7.06791 TIMING: 3094600 CPU: 9779.68, 0.00315345/step Wall: 9779.68, 0.00315344/step, 1.66905 hours remaining, 238.816406 MB of memory in use. ENERGY: 3094600 3968.8264 20514.6630 14449.5173 243.0828 -203445.3254 2335.3989 0.0000 0.0000 52119.8101 -109814.0269 299.5333 -161933.8370 -109463.1282 299.1516 -293.6753 -263.2150 761119.7221 -1.7242 -1.8620 PRESSURE: 3094800 -93.6324 13.9751 -134.863 13.9763 -4.96377 -100.555 -134.863 -100.556 95.2327 GPRESSURE: 3094800 -159.652 -39.1429 -113.124 -90.2762 113.037 -82.3466 -223.136 -196.48 123.443 PRESSAVG: 3094800 12.6829 -10.3759 -0.952564 -10.3759 -9.00033 18.7007 -0.952535 18.7007 -2.01973 GPRESSAVG: 3094800 11.6795 -10.4833 -0.624406 -7.62242 -8.49938 17.8828 0.634488 20.925 -1.12005 TIMING: 3094800 CPU: 9780.31, 0.00316724/step Wall: 9780.31, 0.00316724/step, 1.67617 hours remaining, 238.816406 MB of memory in use. ENERGY: 3094800 3959.9097 20513.8777 14479.3470 245.4796 -203990.4451 2689.5728 0.0000 0.0000 52155.8962 -109946.3621 299.7407 -162102.2583 -109573.1703 298.6482 -1.1212 25.6091 759433.3788 0.5543 0.6867 PRESSURE: 3095000 64.0912 74.5045 -382.457 74.5042 -64.4702 -257.283 -382.456 -257.285 -159.211 GPRESSURE: 3095000 117.804 94.7052 -379.659 -36.4286 -89.1339 -176.451 -287.757 -144.668 -89.0983 PRESSAVG: 3095000 17.0745 -18.8005 -8.79605 -18.8005 -10.255 26.0638 -8.79602 26.0639 9.40408 GPRESSAVG: 3095000 18.5507 -18.112 -10.158 -18.293 -10.7776 26.8938 -10.9456 24.378 8.75965 TIMING: 3095000 CPU: 9780.95, 0.00317071/step Wall: 9780.95, 0.00317071/step, 1.67783 hours remaining, 238.816406 MB of memory in use. ENERGY: 3095000 3959.4867 20438.6152 14460.4532 251.8624 -203881.1871 2644.9608 0.0000 0.0000 52034.9909 -110090.8179 299.0458 -162125.8088 -109724.9137 298.6840 -53.1966 -20.1426 761079.9006 5.4078 5.5109 PRESSURE: 3095200 -351.829 -147.889 -75.0156 -147.888 8.32492 16.523 -75.0147 16.5231 -102.384 GPRESSURE: 3095200 -207.311 -32.9029 -79.4454 -243.976 -56.2158 9.67063 59.9453 -46.6151 -121.15 PRESSAVG: 3095200 -9.35819 -17.3946 -15.2787 -17.3947 -7.2536 0.99394 -15.2787 0.99398 -4.11848 GPRESSAVG: 3095200 -9.44894 -17.4389 -13.2356 -19.325 -7.59954 1.4165 -16.252 1.10967 -3.53168 TIMING: 3095200 CPU: 9781.58, 0.00317421/step Wall: 9781.58, 0.00317421/step, 1.67951 hours remaining, 238.816406 MB of memory in use. ENERGY: 3095200 3928.8103 20494.1852 14443.2628 241.5683 -203655.9854 2427.8939 0.0000 0.0000 51914.6397 -110205.6252 298.3541 -162120.2649 -109853.7408 298.8706 -148.6295 -128.2257 759175.0302 -6.9101 -6.8601 PRESSURE: 3095400 -25.4738 95.92 162.109 95.9209 -34.298 417.94 162.109 417.94 -63.1768 GPRESSURE: 3095400 70.6117 44.7834 165.176 141.305 -5.20593 462.592 303.358 375.512 -86.4959 PRESSAVG: 3095400 -28.0781 -51.7869 24.5491 -51.787 34.3709 35.166 24.5491 35.166 -11.1911 GPRESSAVG: 3095400 -28.171 -50.5386 23.3051 -53.0269 34.4467 35.1807 24.0793 35.8624 -11.4496 TIMING: 3095400 CPU: 9782.22, 0.00317288/step Wall: 9782.22, 0.00317287/step, 1.67863 hours remaining, 238.816406 MB of memory in use. ENERGY: 3095400 4006.8013 20496.4214 14457.8414 237.5994 -203708.7026 2618.6304 0.0000 0.0000 51817.8704 -110073.5383 297.7980 -161891.4087 -109713.4064 298.2808 -40.9828 -7.0300 759250.4726 -1.6328 -1.7246 PRESSURE: 3095600 -260.188 -169.583 38.1044 -169.584 -110.483 -52.7957 38.1054 -52.7967 22.2651 GPRESSURE: 3095600 -145.411 -177.965 15.6994 -127.083 -115.274 -83.8209 5.91001 -71.9802 -23.7122 PRESSAVG: 3095600 38.3742 -3.1439 38.7727 -3.14396 2.17829 47.8115 38.7726 47.8115 18.4824 GPRESSAVG: 3095600 39.7521 -2.07524 38.5359 -0.691031 2.09947 47.4871 40.4437 47.3113 17.5618 TIMING: 3095600 CPU: 9782.85, 0.00316008/step Wall: 9782.85, 0.00316009/step, 1.67169 hours remaining, 238.816406 MB of memory in use. ENERGY: 3095600 3961.8723 20571.9065 14388.8894 256.2308 -203499.0455 2245.8410 0.0000 0.0000 51825.7994 -110248.5062 297.8436 -162074.3056 -109888.8162 298.5914 -116.1353 -94.7991 759026.9617 19.6783 19.8045 PRESSURE: 3095800 299.392 203.266 70.8988 203.266 168.742 122.716 70.8984 122.715 296.967 GPRESSURE: 3095800 337.525 186.885 29.9158 178.93 174.254 39.7996 194.97 145.457 314.159 PRESSAVG: 3095800 -0.573073 -43.0917 15.2852 -43.0917 -19.1849 27.3946 15.2852 27.3946 -4.50367 GPRESSAVG: 3095800 -2.23878 -44.157 14.8552 -41.64 -19.9348 27.0217 14.4664 28.2141 -2.93114 TIMING: 3095800 CPU: 9783.48, 0.00314403/step Wall: 9783.48, 0.00314403/step, 1.66302 hours remaining, 238.816406 MB of memory in use. ENERGY: 3095800 4007.6780 20586.9253 14367.4469 256.0699 -204035.8563 2882.4734 0.0000 0.0000 51857.7933 -110077.4695 298.0275 -161935.2628 -109721.5929 297.8451 255.0336 275.3124 758935.9826 -8.0872 -8.3682 PRESSURE: 3096000 30.9865 -33.1005 80.293 -33.1008 -118.063 -169.387 80.2919 -169.388 381.839 GPRESSURE: 3096000 -27.4004 82.438 65.9677 -106.662 -13.4737 -177.736 -61.8094 -102.053 438.124 PRESSAVG: 3096000 43.5071 -14.5695 -22.8249 -14.5696 -13.5862 -45.1684 -22.8249 -45.1685 -9.41244 GPRESSAVG: 3096000 41.9113 -16.1055 -20.3933 -15.1256 -12.2196 -44.6194 -21.6937 -45.2874 -8.54459 TIMING: 3096000 CPU: 9784.11, 0.00313207/step Wall: 9784.11, 0.00313207/step, 1.65652 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3096000 3968.3138 20617.4440 14413.2845 243.4687 -203717.7427 2656.9853 0.0000 0.0000 51890.3412 -109927.9052 298.2145 -161818.2464 -109568.7465 298.2799 98.2541 132.4167 761163.8742 6.8361 7.0490 PRESSURE: 3096200 111.984 13.6428 154.633 13.6419 345.496 20.8813 154.633 20.8805 30.3061 GPRESSURE: 3096200 199.657 5.44775 93.5552 115.355 413.522 63.534 60.0687 10.6363 -32.3692 PRESSAVG: 3096200 4.20036 -17.6193 13.7443 -17.6193 -27.0988 -19.6628 13.7443 -19.6628 19.1242 GPRESSAVG: 3096200 5.54131 -17.0654 13.0646 -17.6537 -26.0766 -19.4539 11.0872 -20.3883 17.0195 TIMING: 3096200 CPU: 9784.74, 0.00315337/step Wall: 9784.74, 0.00315337/step, 1.66761 hours remaining, 238.816406 MB of memory in use. ENERGY: 3096200 3978.8153 20612.1760 14477.2943 253.2172 -203579.1754 2566.7466 0.0000 0.0000 51848.1678 -109842.7581 297.9721 -161690.9260 -109484.2214 298.4691 162.5953 193.6033 759458.6406 -1.2581 -1.1719 LDB: ============= START OF LOAD BALANCING ============== 9797.14 LDB: ============== END OF LOAD BALANCING =============== 9797.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9797.14 LDB: ============= START OF LOAD BALANCING ============== 9797.45 LDB: Largest compute 7058 load 0.033626 is 17.1% of average load 0.196119 LDB: Average compute 0.004368 is 2.2% of average load 0.196119 LDB: TIME 9797.46 LOAD: AVG 0.196119 MAX 0.216655 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 9797.46 LOAD: AVG 0.196119 MAX 0.216655 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 9797.46 LOAD: AVG 0.196119 MAX 0.216655 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 9797.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9797.47 PRESSURE: 3096400 -97.9948 70.3254 34.2686 70.3252 -300.855 28.0218 34.2694 28.0218 -71.3855 GPRESSURE: 3096400 -117.203 -34.4483 31.0616 122.178 -220.846 40.0918 46.7472 166.659 -24.2908 PRESSAVG: 3096400 -22.3099 0.720834 56.2927 0.720809 9.06057 3.88299 56.2927 3.88303 -11.4211 GPRESSAVG: 3096400 -21.6822 1.32044 54.9943 -0.0630304 7.80803 3.28615 57.8826 4.90789 -11.3222 TIMING: 3096400 CPU: 9785.38, 0.00323181/step Wall: 9785.38, 0.00323181/step, 1.70891 hours remaining, 237.640625 MB of memory in use. ENERGY: 3096400 3989.2305 20597.9518 14403.4964 259.9448 -203563.4221 2468.7269 0.0000 0.0000 52048.8724 -109795.1993 299.1256 -161844.0717 -109417.3166 298.4344 -156.7451 -120.7800 760039.4990 -8.2235 -8.3988 PRESSURE: 3096600 43.2181 31.4388 33.7622 31.4382 -306.921 6.19612 33.7615 6.19659 58.3763 GPRESSURE: 3096600 75.5658 -82.6539 66.4063 -8.79557 -211.763 -71.0807 -59.1589 10.5393 15.4067 PRESSAVG: 3096600 -37.2815 -17.1632 19.8178 -17.1632 -19.3972 -6.11882 19.8178 -6.11882 4.21952 GPRESSAVG: 3096600 -37.5687 -18.4172 19.5928 -18.6952 -18.3613 -6.48724 19.7496 -7.64175 2.86259 TIMING: 3096600 CPU: 9786.01, 0.00315424/step Wall: 9786.01, 0.00315424/step, 1.66771 hours remaining, 237.640625 MB of memory in use. ENERGY: 3096600 4056.3685 20634.9234 14412.6792 238.9497 -203628.5650 2592.3863 0.0000 0.0000 52153.8718 -109539.3861 299.7290 -161693.2579 -109173.1481 299.2241 -68.4421 -40.2634 758596.2733 -17.4864 -17.6891 PRESSURE: 3096800 214.886 93.4362 71.8336 93.4354 -163.647 288.53 71.8335 288.53 97.0764 GPRESSURE: 3096800 272.367 60.7791 156.643 53.9703 -47.6292 284.026 108.094 274.241 22.0883 PRESSAVG: 3096800 -13.2467 -51.7499 27.2738 -51.7499 -33.5901 30.3591 27.2738 30.3592 -0.0290619 GPRESSAVG: 3096800 -13.9247 -50.4573 28.3595 -51.2336 -33.9316 31.1917 29.2661 29.9818 1.20322 TIMING: 3096800 CPU: 9786.65, 0.00317231/step Wall: 9786.65, 0.00317231/step, 1.67709 hours remaining, 237.640625 MB of memory in use. ENERGY: 3096800 4067.0861 20709.2388 14492.9934 243.3682 -203534.2227 2417.7452 0.0000 0.0000 51936.4395 -109667.3514 298.4794 -161603.7909 -109303.7224 299.5749 49.4385 82.2755 759138.3290 -15.6220 -15.5510 PRESSURE: 3097000 35.6325 -77.6428 195.353 -77.6421 -212.057 -46.0342 195.352 -46.0333 -490.664 GPRESSURE: 3097000 -32.0228 10.6274 145.38 57.2549 -179.37 -130.937 185.302 -104.614 -377.119 PRESSAVG: 3097000 -7.17094 -2.30813 -42.3398 -2.30816 32.502 62.5443 -42.3397 62.5444 5.12091 GPRESSAVG: 3097000 -6.26498 -1.62117 -43.5314 -2.29235 31.904 63.3987 -43.949 64.3814 4.64056 TIMING: 3097000 CPU: 9787.28, 0.00317147/step Wall: 9787.28, 0.00317147/step, 1.67647 hours remaining, 237.640625 MB of memory in use. ENERGY: 3097000 4025.3222 20748.7658 14459.7694 245.6818 -203426.4118 2276.1481 0.0000 0.0000 52250.6421 -109420.0824 300.2852 -161670.7245 -109049.5788 299.0553 -222.3630 -196.1708 759560.0407 10.1507 10.0932 PRESSURE: 3097200 29.7981 -125.889 8.60714 -125.889 75.1624 12.155 8.60734 12.1546 381.779 GPRESSURE: 3097200 83.334 -141.338 18.0719 -152.92 190.975 -22.9242 -25.1934 -36.0907 311.663 PRESSAVG: 3097200 27.9673 -47.0435 -4.88755 -47.0435 -25.1004 55.8468 -4.88747 55.8469 11.8648 GPRESSAVG: 3097200 27.8917 -48.0997 -5.14164 -46.4888 -25.0779 55.3928 -4.30647 54.2875 11.8622 TIMING: 3097200 CPU: 9787.91, 0.00314739/step Wall: 9787.91, 0.00314739/step, 1.66357 hours remaining, 237.640625 MB of memory in use. ENERGY: 3097200 3976.6378 20500.4410 14478.8971 252.4909 -203313.2948 2376.5152 0.0000 0.0000 52196.1721 -109532.1406 299.9721 -161728.3128 -109174.6900 300.0887 162.2463 195.3238 758832.3807 4.9106 4.8920 PRESSURE: 3097400 82.3181 0.261354 -167.77 0.260138 114.787 209.394 -167.771 209.393 409.308 GPRESSURE: 3097400 107.236 -45.491 -135.29 66.5222 119.343 155.734 -177.319 257.386 450.773 PRESSAVG: 3097400 13.1104 -31.8822 -31.2384 -31.8822 -29.4166 -16.7166 -31.2384 -16.7166 -12.6355 GPRESSAVG: 3097400 12.8735 -31.9437 -29.8444 -31.0832 -29.7641 -16.6606 -32.1387 -16.7079 -12.2875 TIMING: 3097400 CPU: 9788.54, 0.00315844/step Wall: 9788.54, 0.00315844/step, 1.66924 hours remaining, 237.640625 MB of memory in use. ENERGY: 3097400 4075.7214 20775.2114 14480.3123 222.5382 -203665.4686 2710.6811 0.0000 0.0000 51918.8560 -109482.1483 298.3784 -161401.0042 -109128.8730 299.9998 202.1377 225.7838 760783.7088 -9.6472 -9.7260 PRESSURE: 3097600 37.2372 -201.461 121.194 -201.461 -111.828 -33.7282 121.194 -33.7278 380.374 GPRESSURE: 3097600 145.399 -111.235 173.813 -262.91 -14.7239 30.5817 135.706 7.6733 283.702 PRESSAVG: 3097600 52.1121 -22.4263 35.474 -22.4264 0.690232 7.00513 35.474 7.00518 -22.7025 GPRESSAVG: 3097600 52.6008 -21.6596 34.8863 -21.4696 0.662986 8.5833 33.9412 7.34115 -22.4524 TIMING: 3097600 CPU: 9789.17, 0.00315862/step Wall: 9789.17, 0.00315862/step, 1.66916 hours remaining, 237.640625 MB of memory in use. ENERGY: 3097600 4016.9825 20413.6322 14413.3363 251.1111 -203381.3606 2516.6153 0.0000 0.0000 52202.0843 -109567.5990 300.0061 -161769.6833 -109204.4154 299.2179 101.9278 138.1258 760230.8339 10.0333 10.2704 PRESSURE: 3097800 -444.515 49.9544 77.3563 49.9541 70.2082 -22.6663 77.357 -22.6664 -148.696 GPRESSURE: 3097800 -355.666 27.9572 49.0746 -8.44303 -15.7498 44.8443 88.5064 44.5665 -57.4068 PRESSAVG: 3097800 24.0948 -27.3442 6.10248 -27.3441 -52.1096 -22.7673 6.10247 -22.7674 23.5454 GPRESSAVG: 3097800 23.4222 -27.1173 8.02995 -29.3216 -51.5206 -24.657 5.47909 -22.5035 23.601 TIMING: 3097800 CPU: 9789.81, 0.00318102/step Wall: 9789.81, 0.00318102/step, 1.68082 hours remaining, 237.640625 MB of memory in use. ENERGY: 3097800 3974.2069 20716.7159 14391.3482 222.5144 -203539.5423 2472.3784 0.0000 0.0000 52265.4924 -109496.8861 300.3705 -161762.3785 -109134.6417 299.3158 -174.3343 -142.9408 759741.8446 -1.4898 -1.4992 PRESSURE: 3098000 -226.432 22.5915 15.4191 22.5922 -45.9821 -6.18341 15.4183 -6.18282 419.501 GPRESSURE: 3098000 -29.6194 -125.634 35.4215 91.3682 -38.8206 51.8035 -79.651 -84.5181 319.636 PRESSAVG: 3098000 -9.8733 -40.844 -3.47854 -40.844 -5.28223 -0.59647 -3.47861 -0.596443 0.714249 GPRESSAVG: 3098000 -8.18952 -39.4925 -5.12229 -42.1813 -6.81698 -1.48579 0.946129 -1.06662 0.0529279 TIMING: 3098000 CPU: 9790.45, 0.00318582/step Wall: 9790.45, 0.00318582/step, 1.68318 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3098000 4035.5831 20605.1537 14332.9059 256.2494 -203350.8822 2422.7702 0.0000 0.0000 52210.5103 -109487.7096 300.0545 -161698.2199 -109122.3359 299.6862 49.0290 83.7321 760455.6821 -4.8138 -4.9845 PRESSURE: 3098200 425.674 -177.577 58.8953 -177.577 -164.481 49.7457 58.8949 49.7452 -301.413 GPRESSURE: 3098200 480.034 -47.5809 -51.9038 -250.521 -137.724 0.804823 -21.7042 -1.00825 -300.64 PRESSAVG: 3098200 80.6704 -29.1376 -4.74329 -29.1376 -75.6917 22.772 -4.74329 22.7719 8.79412 GPRESSAVG: 3098200 77.8213 -31.6802 -5.93719 -26.8184 -72.9386 23.9748 -7.33457 21.4136 8.96157 TIMING: 3098200 CPU: 9791.08, 0.00316115/step Wall: 9791.08, 0.00316115/step, 1.66997 hours remaining, 237.640625 MB of memory in use. ENERGY: 3098200 3894.6660 20741.0285 14378.6347 246.1271 -203764.7008 2440.8237 0.0000 0.0000 52320.4152 -109743.0056 300.6861 -162063.4208 -109378.9039 299.9209 -13.4067 13.8898 759166.8267 4.5909 4.6147 PRESSURE: 3098400 172.495 -50.3707 -112.037 -50.3712 -293.803 -246.441 -112.038 -246.442 -115.205 GPRESSURE: 3098400 154.994 42.4671 -140.721 -109.603 -230.796 -258.559 -93.7934 -99.4015 -68.9239 PRESSAVG: 3098400 80.3503 -8.50095 41.4988 -8.50094 -70.4096 7.10684 41.4988 7.1069 -8.49983 GPRESSAVG: 3098400 81.1229 -8.96954 41.6163 -8.83632 -71.2041 5.19608 40.0529 9.02749 -8.35786 TIMING: 3098400 CPU: 9791.71, 0.00316924/step Wall: 9791.71, 0.00316924/step, 1.67407 hours remaining, 237.640625 MB of memory in use. ENERGY: 3098400 3997.6925 20580.7926 14418.3817 243.9203 -203314.6452 2386.4526 0.0000 0.0000 52117.0768 -109570.3285 299.5176 -161687.4054 -109202.6407 299.6379 -78.8377 -48.2417 758641.5133 0.4803 0.5203 PRESSURE: 3098600 1.17546 -208.724 -6.78934 -208.723 -354.427 -132.214 -6.78904 -132.214 251.169 GPRESSURE: 3098600 88.5144 -105.015 -3.42725 -193.161 -298.741 -112.081 -23.3139 -112.855 187.522 PRESSAVG: 3098600 30.5584 -42.676 12.3158 -42.676 -76.9913 23.7345 12.3157 23.7345 20.4397 GPRESSAVG: 3098600 32.2307 -41.0597 13.5554 -42.8996 -78.6539 24.6473 12.7584 25.2275 20.5944 TIMING: 3098600 CPU: 9792.35, 0.0031652/step Wall: 9792.35, 0.0031652/step, 1.67175 hours remaining, 237.640625 MB of memory in use. ENERGY: 3098600 4005.3197 20571.3955 14489.3113 231.9015 -203245.9903 2443.7370 0.0000 0.0000 52148.6649 -109355.6603 299.6991 -161504.3253 -108984.7684 299.1470 -34.0275 -7.5681 760248.4900 -8.6644 -8.6096 PRESSURE: 3098800 94.0676 -193.666 -195.907 -193.666 -116.406 -117.816 -195.907 -117.817 151.553 GPRESSURE: 3098800 122.269 -179.57 -187.271 -135.951 -14.1468 -177.659 -186.178 -93.303 116.486 PRESSAVG: 3098800 99.764 -91.2464 -3.72299 -91.2465 -106.9 27.2259 -3.72293 27.2259 7.89962 GPRESSAVG: 3098800 98.8447 -91.7128 -3.74724 -91.3932 -106.45 27.4204 -3.17911 25.8046 9.28013 TIMING: 3098800 CPU: 9792.98, 0.00317725/step Wall: 9792.98, 0.00317725/step, 1.67794 hours remaining, 237.640625 MB of memory in use. ENERGY: 3098800 4049.4626 20654.5773 14304.9452 241.3629 -203167.7255 2424.5009 0.0000 0.0000 52028.7130 -109464.1636 299.0097 -161492.8766 -109100.9420 299.3204 43.0714 74.8694 761225.3775 0.2546 0.5584 PRESSURE: 3099000 -138.202 78.3012 78.0985 78.3017 -361.832 65.891 78.099 65.8912 -14.8265 GPRESSURE: 3099000 -119.119 1.85216 -12.9064 103.802 -338.034 58.2308 184.021 68.5417 18.2451 PRESSAVG: 3099000 25.7688 -33.0793 -42.1101 -33.0793 7.57964 35.226 -42.1101 35.2261 -31.3544 GPRESSAVG: 3099000 25.3177 -32.9451 -43.3172 -31.9709 8.98421 35.6823 -42.1401 33.0138 -32.0568 TIMING: 3099000 CPU: 9793.62, 0.00317034/step Wall: 9793.62, 0.00317034/step, 1.67412 hours remaining, 237.640625 MB of memory in use. ENERGY: 3099000 4025.6935 20678.1593 14378.9094 241.8802 -203071.8335 2209.8325 0.0000 0.0000 52149.0501 -109388.3084 299.7013 -161537.3585 -109029.5095 299.7395 -171.6202 -146.3024 762165.8157 0.6647 0.7484 PRESSURE: 3099200 186.605 40.6003 -34.1321 40.6006 -62.6024 48.8216 -34.1316 48.8219 278.397 GPRESSURE: 3099200 100.128 79.3132 -8.13109 118.157 54.4068 -84.9869 -62.2983 7.93193 332.231 PRESSAVG: 3099200 23.4109 -33.3548 -33.6155 -33.3548 -18.0869 6.73498 -33.6155 6.7349 25.9848 GPRESSAVG: 3099200 24.0666 -34.3583 -32.3121 -33.8826 -19.0815 5.8786 -35.9176 7.76863 25.8692 TIMING: 3099200 CPU: 9794.25, 0.00315626/step Wall: 9794.25, 0.00315626/step, 1.66651 hours remaining, 237.640625 MB of memory in use. ENERGY: 3099200 3996.0145 20467.1037 14398.3250 247.5546 -202900.9069 2295.5725 0.0000 0.0000 51982.8680 -109513.4686 298.7463 -161496.3367 -109156.2152 299.4604 134.1329 162.2551 760739.8922 10.4363 10.2848 PRESSURE: 3099400 -72.9702 -76.9085 9.64698 -76.9088 13.1682 -43.4807 9.64657 -43.4817 158.853 GPRESSURE: 3099400 -45.8809 -70.5273 25.2472 -22.4176 90.6839 -27.5598 15.3688 98.7977 146.902 PRESSAVG: 3099400 -8.75974 -57.3908 -28.3971 -57.3908 13.7397 -30.7742 -28.3971 -30.7741 -4.04223 GPRESSAVG: 3099400 -8.97629 -55.8106 -28.4878 -57.4304 14.1922 -29.4642 -28.08 -31.0893 -3.63178 TIMING: 3099400 CPU: 9794.88, 0.00314569/step Wall: 9794.88, 0.00314569/step, 1.66075 hours remaining, 237.640625 MB of memory in use. ENERGY: 3099400 3960.5004 20410.3458 14391.5363 248.6741 -203263.4856 2429.9098 0.0000 0.0000 52177.1148 -109645.4044 299.8626 -161822.5192 -109281.1061 299.1301 33.0170 63.9016 760685.8104 0.3126 0.5281 PRESSURE: 3099600 -218.694 72.1105 88.9897 72.1111 -271.229 -58.6246 88.9894 -58.6249 445.766 GPRESSURE: 3099600 -145.012 -25.788 75.2706 150.275 -255.684 -64.8649 203.815 -136.962 424.412 PRESSAVG: 3099600 73.5634 -12.1892 -30.8211 -12.1893 -42.5564 -22.3978 -30.8211 -22.3979 10.1099 GPRESSAVG: 3099600 74.1145 -11.9772 -32.7133 -12.5746 -43.4806 -21.9676 -28.2224 -22.3405 9.59899 TIMING: 3099600 CPU: 9795.51, 0.00314909/step Wall: 9795.51, 0.00314909/step, 1.66237 hours remaining, 237.640625 MB of memory in use. ENERGY: 3099600 3981.2244 20334.8991 14400.6958 258.4102 -203154.9879 2325.6678 0.0000 0.0000 51776.3660 -110077.7245 297.5595 -161854.0905 -109714.0851 298.4101 -14.7191 7.9055 761029.1753 13.7056 13.4110 PRESSURE: 3099800 344.438 -28.2089 -25.4531 -28.2085 -159.798 -112.087 -25.454 -112.088 -16.7732 GPRESSURE: 3099800 400.843 60.7832 -35.905 -12.1029 -138.87 -150.011 -65.0008 -142.646 -20.7693 PRESSAVG: 3099800 59.2713 -10.2492 -33.8248 -10.2492 -50.0565 11.6043 -33.8248 11.6043 3.44925 GPRESSAVG: 3099800 57.8495 -11.2929 -33.6203 -11.7614 -48.8818 11.1951 -35.1341 12.9842 4.30812 TIMING: 3099800 CPU: 9796.14, 0.00316141/step Wall: 9796.14, 0.00316141/step, 1.6687 hours remaining, 237.640625 MB of memory in use. ENERGY: 3099800 3932.0524 20362.6259 14358.0008 248.5595 -203289.5030 2606.0565 0.0000 0.0000 51563.1916 -110219.0164 296.3344 -161782.2080 -109868.4155 297.8965 55.9556 80.4010 760682.1291 4.2214 4.4253 PRESSURE: 3100000 -17.4892 158.048 -166.681 158.049 -89.2296 -210.219 -166.68 -210.219 -244.196 GPRESSURE: 3100000 -16.6424 93.3895 -203.046 239.942 -98.8738 -183.797 -99.9921 -97.6425 -147.977 PRESSAVG: 3100000 25.9848 -2.31208 25.4275 -2.31204 -7.74295 53.5059 25.4275 53.5058 6.60955 GPRESSAVG: 3100000 25.9705 -1.79713 24.9058 -1.80299 -7.80503 52.0503 27.3456 54.1052 6.84022 TIMING: 3100000 CPU: 9796.77, 0.00317184/step Wall: 9796.77, 0.00317184/step, 1.67403 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3100000 3936.2437 20414.7621 14311.1454 257.8596 -203004.7697 2090.8453 0.0000 0.0000 51841.6199 -110152.2937 297.9345 -161993.9136 -109794.6639 298.0232 -116.9716 -87.8311 760431.5433 8.2838 8.3352 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 205.382 -91.2012 111.726 -91.2009 -173.226 -138.733 111.726 -138.733 -131.465 GPRESSURE: 3100200 196.752 -80.3025 62.9838 -113.716 -70.7011 -94.6965 62.3192 -205.801 -130.456 PRESSAVG: 3100200 27.5632 -10.1114 -12.1476 -10.1114 -44.1129 -24.8328 -12.1477 -24.8328 -43.8535 GPRESSAVG: 3100200 28.4167 -10.4359 -11.3472 -6.75208 -43.985 -24.79 -14.0555 -25.9023 -44.26 TIMING: 3100200 CPU: 9797.42, 0.00324266/step Wall: 9797.42, 0.00324266/step, 1.71123 hours remaining, 237.640625 MB of memory in use. ENERGY: 3100200 3984.6229 20404.9443 14428.7530 259.6610 -203563.8187 2391.6520 0.0000 0.0000 51975.4508 -110118.7348 298.7036 -162094.1856 -109757.8862 297.8292 -33.1030 -1.4683 759136.6473 -20.1344 -19.9427 LDB: ============= START OF LOAD BALANCING ============== 9809.82 LDB: ============== END OF LOAD BALANCING =============== 9809.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9809.82 LDB: ============= START OF LOAD BALANCING ============== 9810.14 LDB: Largest compute 7058 load 0.031959 is 16.3% of average load 0.196094 LDB: Average compute 0.004394 is 2.2% of average load 0.196094 LDB: TIME 9810.14 LOAD: AVG 0.196094 MAX 0.21528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.391 MB LDB: TIME 9810.14 LOAD: AVG 0.196094 MAX 0.21528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: TIME 9810.14 LOAD: AVG 0.196094 MAX 0.21528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: ============== END OF LOAD BALANCING =============== 9810.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9810.15 PRESSURE: 3100400 180.843 -22.1668 -174.521 -22.1661 408.311 72.8231 -174.522 72.8239 -179.879 GPRESSURE: 3100400 274.911 17.2489 -133.254 -56.2919 379.449 114.219 -231.02 167.212 -190.85 PRESSAVG: 3100400 18.6254 -37.4859 -22.0756 -37.4859 1.47164 13 -22.0756 13 -21.8543 GPRESSAVG: 3100400 19.0439 -37.6298 -21.8121 -38.7779 1.70869 14.9091 -19.7595 12.6094 -22.4563 TIMING: 3100400 CPU: 9798.07, 0.00322289/step Wall: 9798.07, 0.00322289/step, 1.70061 hours remaining, 240.156250 MB of memory in use. ENERGY: 3100400 3979.2843 20400.2097 14344.7832 240.8118 -203274.1564 2367.9872 0.0000 0.0000 51975.6461 -109965.4340 298.7048 -161941.0802 -109603.3743 298.6931 136.4250 154.5036 759411.6406 -0.5858 -0.5679 PRESSURE: 3100600 -146.016 -122.326 149.705 -122.326 178.249 -13.3784 149.705 -13.378 -126.188 GPRESSURE: 3100600 -30.1795 -119.739 95.9072 -141.75 134.202 4.89315 110.419 18.3107 -97.1742 PRESSAVG: 3100600 -14.2811 -3.13481 17.4633 -3.13484 34.4784 64.377 17.4632 64.377 1.78386 GPRESSAVG: 3100600 -13.8517 -3.15344 17.9633 -4.91773 32.8084 63.4536 14.0791 65.3992 2.81201 TIMING: 3100600 CPU: 9798.7, 0.00315526/step Wall: 9798.7, 0.00315526/step, 1.66475 hours remaining, 240.359375 MB of memory in use. ENERGY: 3100600 3965.2659 20362.4819 14397.1935 246.3503 -203092.2659 2272.7786 0.0000 0.0000 51982.0755 -109866.1202 298.7417 -161848.1957 -109501.7190 298.7340 -31.3184 2.2829 760026.5620 7.3271 7.2562 PRESSURE: 3100800 -122.862 124.69 -35.3404 124.689 2.02011 -89.3817 -35.3415 -89.3808 -204.076 GPRESSURE: 3100800 -69.9655 72.1341 -95.8227 0.758585 45.8934 -112.17 -118.614 -4.08647 -226.951 PRESSAVG: 3100800 43.9935 42.1056 3.0283 42.1056 9.61273 -11.4013 3.0284 -11.4013 0.0533382 GPRESSAVG: 3100800 42.675 43.1807 4.36446 41.9993 12.0006 -11.6472 4.82911 -12.3696 -1.18503 TIMING: 3100800 CPU: 9799.33, 0.00315345/step Wall: 9799.33, 0.00315345/step, 1.66362 hours remaining, 240.359375 MB of memory in use. ENERGY: 3100800 3976.1777 20630.6284 14369.5252 237.2059 -203372.3861 2417.5723 0.0000 0.0000 51868.5163 -109872.7603 298.0891 -161741.2765 -109524.2087 298.7139 -108.3059 -83.6743 760642.4878 17.8865 17.8302 PRESSURE: 3101000 -131.867 -18.6354 -123.138 -18.6357 -104.311 -70.6447 -123.138 -70.6439 248.738 GPRESSURE: 3101000 39.5324 -17.3379 -175.618 -79.8345 -196.808 -71.2738 -18.272 -159.196 236.395 PRESSAVG: 3101000 25.902 50.38 -35.0034 50.38 -30.519 -22.7615 -35.0034 -22.7616 -6.63635 GPRESSAVG: 3101000 27.4642 50.7919 -36.7797 49.9805 -31.6766 -22.2946 -34.8353 -23.3904 -6.79139 TIMING: 3101000 CPU: 9799.96, 0.00313467/step Wall: 9799.96, 0.00313467/step, 1.65354 hours remaining, 240.359375 MB of memory in use. ENERGY: 3101000 3920.4411 20482.7291 14379.7560 231.5403 -202475.7728 1930.0767 0.0000 0.0000 51720.5129 -109810.7167 297.2385 -161531.2297 -109454.9038 298.6978 4.1866 26.3731 760349.0492 -3.7511 -3.6679 PRESSURE: 3101200 364.331 -142.011 -117.195 -142.012 47.37 230.728 -117.195 230.727 90.1202 GPRESSURE: 3101200 338.847 -77.5015 -20.4711 -203.633 67.6296 221.854 -115.413 203.317 165.348 PRESSAVG: 3101200 17.9386 40.6166 16.9972 40.6166 -11.0987 14.1656 16.9972 14.1657 25.2714 GPRESSAVG: 3101200 16.8114 37.5615 17.4955 42.5568 -12.322 14.8129 15.2657 13.1062 26.9475 TIMING: 3101200 CPU: 9800.58, 0.00314075/step Wall: 9800.58, 0.00314075/step, 1.65657 hours remaining, 240.359375 MB of memory in use. ENERGY: 3101200 3935.6779 20498.8854 14322.7446 235.5673 -203159.1509 2379.7649 0.0000 0.0000 51981.4319 -109805.0789 298.7380 -161786.5108 -109454.9532 298.5275 167.2737 190.6080 760652.4243 10.7038 10.4789 PRESSURE: 3101400 87.9312 1.74242 -121.95 1.7421 -314.514 159.803 -121.95 159.804 297.899 GPRESSURE: 3101400 123.462 15.5862 -138.051 4.30341 -267.685 177.884 -12.6168 149.212 295.352 PRESSAVG: 3101400 -18.2293 4.99016 -34.2593 4.99013 -16.3069 -6.49238 -34.2594 -6.49238 -5.82279 GPRESSAVG: 3101400 -18.8141 5.71795 -32.0744 4.03267 -14.6547 -8.18099 -33.1359 -3.11995 -6.72951 TIMING: 3101400 CPU: 9801.22, 0.0031585/step Wall: 9801.22, 0.0031585/step, 1.66576 hours remaining, 240.359375 MB of memory in use. ENERGY: 3101400 3959.3948 20376.9641 14313.6246 250.8902 -203176.7673 2401.9535 0.0000 0.0000 52100.1072 -109773.8329 299.4200 -161873.9401 -109409.7320 298.9763 23.7722 50.3764 759892.8013 -13.4530 -13.3995 PRESSURE: 3101600 -66.2288 -59.2887 -8.90935 -59.2889 -258.092 116.247 -8.91063 116.247 89.5351 GPRESSURE: 3101600 -154.463 -195.831 14.8553 -113.946 -108.299 166.014 -8.88115 31.2592 99.5938 PRESSAVG: 3101600 -15.9734 -10.0898 -13.9497 -10.0898 -5.04606 -7.12684 -13.9497 -7.12686 -12.3347 GPRESSAVG: 3101600 -15.7517 -9.36535 -15.0876 -12.0449 -5.8635 -6.38683 -13.6191 -7.32625 -12.2167 TIMING: 3101600 CPU: 9801.85, 0.003158/step Wall: 9801.85, 0.003158/step, 1.66532 hours remaining, 240.359375 MB of memory in use. ENERGY: 3101600 4027.7899 20607.6118 14372.9455 233.3754 -203351.3973 2507.2328 0.0000 0.0000 51933.8739 -109668.5679 298.4647 -161602.4418 -109306.8895 298.4954 -78.2619 -54.3894 761317.9283 -11.1181 -11.2773 PRESSURE: 3101800 -100.164 -224.541 -178.885 -224.541 103.622 2.784 -178.884 2.78395 443.357 GPRESSURE: 3101800 -105.508 -208.302 -156.691 -135.729 234.092 14.0803 -51.9445 -41.6449 410.209 PRESSAVG: 3101800 27.8354 -54.7202 19.0831 -54.7202 -8.4291 50.5747 19.083 50.5747 6.57895 GPRESSAVG: 3101800 27.096 -54.1932 18.8473 -52.7454 -6.33012 50.4904 18.7572 49.3561 5.13775 TIMING: 3101800 CPU: 9802.48, 0.00314536/step Wall: 9802.48, 0.00314535/step, 1.65848 hours remaining, 240.359375 MB of memory in use. ENERGY: 3101800 3970.9314 20301.2816 14410.4161 266.8792 -203481.4557 2740.1250 0.0000 0.0000 52003.6077 -109788.2148 298.8654 -161791.8225 -109424.6125 299.0881 148.9385 179.5979 760748.8846 8.6618 8.6346 PRESSURE: 3102000 283.796 -179.287 -323.223 -179.287 389.765 -52.2824 -323.223 -52.2816 261.166 GPRESSURE: 3102000 300.975 -140.726 -372.42 -175.413 390.118 48.7189 -383.264 -77.6846 342.069 PRESSAVG: 3102000 -22.334 -58.8652 -35.8062 -58.8652 26.3193 9.69191 -35.8063 9.69194 -8.54315 GPRESSAVG: 3102000 -22.8768 -59.6731 -37.7136 -60.0425 25.8779 11.5221 -35.244 8.91002 -7.9938 TIMING: 3102000 CPU: 9803.11, 0.00317015/step Wall: 9803.11, 0.00317015/step, 1.67137 hours remaining, 240.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3102000 3927.5055 20619.0235 14412.4888 258.7331 -203324.2156 2575.6186 0.0000 0.0000 51926.9102 -109603.9360 298.4247 -161530.8462 -109258.3126 299.2675 311.5755 344.3872 760114.9988 -1.5193 -1.6642 PRESSURE: 3102200 45.7649 -374.524 -13.5011 -374.525 -52.7861 371.695 -13.5014 371.695 493.991 GPRESSURE: 3102200 120.539 -340.954 -26.2747 -225.234 -26.487 260.024 84.2038 250.626 485.008 PRESSAVG: 3102200 -35.1978 -37.1157 -63.5676 -37.1157 25.3374 -17.1632 -63.5675 -17.1631 25.1877 GPRESSAVG: 3102200 -35.4606 -36.926 -62.651 -35.7385 24.4976 -18.179 -63.8283 -17.6266 26.2031 TIMING: 3102200 CPU: 9803.74, 0.00315929/step Wall: 9803.74, 0.0031593/step, 1.66548 hours remaining, 240.359375 MB of memory in use. ENERGY: 3102200 3896.3396 20451.6791 14449.1458 245.4475 -203338.1009 2595.0312 0.0000 0.0000 52137.8225 -109562.6351 299.6368 -161700.4576 -109205.9280 299.3139 162.3234 193.0201 759662.2716 5.1091 5.0801 PRESSURE: 3102400 -75.4897 61.2471 -18.3642 61.2464 -180.512 146.504 -18.365 146.506 82.0537 GPRESSURE: 3102400 -9.01003 45.549 -4.47999 84.6421 -139.076 119.252 -53.8646 131.355 44.43 PRESSAVG: 3102400 2.2162 1.51636 35.1574 1.51638 -3.73262 -48.6213 35.1575 -48.6212 14.2649 GPRESSAVG: 3102400 3.03709 1.99321 35.8496 2.29012 -5.23276 -48.851 35.2596 -48.6302 14.443 TIMING: 3102400 CPU: 9804.38, 0.00316542/step Wall: 9804.38, 0.00316542/step, 1.66853 hours remaining, 240.359375 MB of memory in use. ENERGY: 3102400 3914.1904 20390.9275 14427.8930 256.7426 -202864.8940 2321.4676 0.0000 0.0000 51942.1351 -109611.5379 298.5122 -161553.6730 -109247.7106 298.6736 -57.9828 -34.5519 761790.8794 4.2495 4.0825 PRESSURE: 3102600 141.796 120.792 150.947 120.792 -169.7 -258.839 150.946 -258.838 75.7819 GPRESSURE: 3102600 157.859 73.8353 191.217 89.0181 -125.47 -280.717 66.4481 -86.3186 112.412 PRESSAVG: 3102600 75.8292 46.2625 -5.74735 46.2625 -87.4977 -61.7978 -5.74737 -61.7978 -11.6635 GPRESSAVG: 3102600 75.066 45.7338 -5.00673 46.3735 -85.6263 -59.8556 -6.27886 -60.2392 -12.8269 TIMING: 3102600 CPU: 9805, 0.00314346/step Wall: 9805, 0.00314346/step, 1.65678 hours remaining, 240.359375 MB of memory in use. ENERGY: 3102600 3999.8031 20452.5778 14363.0872 242.1051 -203445.4253 2662.6697 0.0000 0.0000 51998.5238 -109726.6584 298.8362 -161725.1823 -109362.8014 298.8108 15.9592 48.2671 761695.5709 -7.7773 -7.7957 PRESSURE: 3102800 -293.643 15.5375 -12.4172 15.5369 138.248 46.3773 -12.4175 46.3766 -346.315 GPRESSURE: 3102800 -244.569 -20.4002 25.0029 42.8978 112 74.5878 -12.9338 63.1755 -285.287 PRESSAVG: 3102800 -0.0931844 16.3508 -6.83924 16.3508 -3.22067 -35.9311 -6.83927 -35.9311 -16.7095 GPRESSAVG: 3102800 1.00295 17.7152 -6.62781 14.3651 -4.26916 -37.7124 -5.87703 -35.8184 -16.6387 TIMING: 3102800 CPU: 9805.64, 0.0031719/step Wall: 9805.64, 0.0031719/step, 1.67159 hours remaining, 240.359375 MB of memory in use. ENERGY: 3102800 3973.8229 20386.7703 14397.7103 251.5780 -203219.2990 2379.0689 0.0000 0.0000 52002.9005 -109827.4481 298.8614 -161830.3486 -109472.4665 298.3823 -167.2367 -139.2852 761444.7080 -6.6745 -6.6350 PRESSURE: 3103000 195.739 -46.5886 -101.986 -46.5891 31.1597 -124.636 -101.986 -124.636 -112.963 GPRESSURE: 3103000 221.616 -11.4683 -90.1055 -63.6597 85.9662 -240.646 -128.254 -114.992 -108.787 PRESSAVG: 3103000 -16.3918 -4.11884 6.66747 -4.1188 19.8265 -28.0936 6.66752 -28.0936 16.7375 GPRESSAVG: 3103000 -16.7476 -4.01913 6.00896 -4.17774 19.8082 -28.2525 5.22022 -27.8477 17.0798 TIMING: 3103000 CPU: 9806.27, 0.00317176/step Wall: 9806.27, 0.00317176/step, 1.67134 hours remaining, 240.359375 MB of memory in use. ENERGY: 3103000 4061.8405 20261.9130 14353.4967 242.1426 -203339.9070 2596.1090 0.0000 0.0000 51976.0459 -109848.3594 298.7070 -161824.4052 -109495.1238 298.8217 37.9783 66.2651 761594.5542 6.7241 6.7134 PRESSURE: 3103200 -89.2831 -353.655 175.005 -353.655 -246.655 -173.991 175.004 -173.99 -422.932 GPRESSURE: 3103200 -90.8798 -223.638 171.188 -225.814 -177.149 -141.965 251.338 -222.315 -404.379 PRESSAVG: 3103200 -1.35444 -11.5503 -47.0777 -11.5503 14.2139 -54.9505 -47.0777 -54.9505 2.12413 GPRESSAVG: 3103200 -1.33274 -11.6931 -45.8159 -10.4497 13.6037 -53.1661 -46.0804 -54.494 2.61937 TIMING: 3103200 CPU: 9806.91, 0.00318939/step Wall: 9806.91, 0.00318939/step, 1.68046 hours remaining, 240.359375 MB of memory in use. ENERGY: 3103200 3982.0362 20427.1511 14354.9170 243.9850 -202770.7013 1998.9662 0.0000 0.0000 52012.7578 -109750.8880 298.9180 -161763.6458 -109394.8026 298.9176 -252.9568 -224.1358 761065.1772 4.9945 4.9634 PRESSURE: 3103400 36.8851 195.301 -58.5988 195.302 118.474 24.479 -58.5986 24.4786 147.56 GPRESSURE: 3103400 122.163 123.435 -72.9137 86.6369 122.939 -17.7661 -131.299 -67.1675 136.758 PRESSAVG: 3103400 2.96718 -8.95418 1.96702 -8.95421 -13.8001 -59.4418 1.96705 -59.4417 6.98182 GPRESSAVG: 3103400 3.95151 -10.128 1.42566 -7.98585 -14.5812 -60.1732 0.927208 -59.4622 6.68548 TIMING: 3103400 CPU: 9807.55, 0.00318088/step Wall: 9807.55, 0.00318088/step, 1.67579 hours remaining, 240.359375 MB of memory in use. ENERGY: 3103400 3957.3072 20547.0036 14431.0334 234.4608 -203186.4589 2571.1515 0.0000 0.0000 51863.0012 -109582.5014 298.0574 -161445.5026 -109228.3906 299.1283 100.9732 127.2864 760680.5175 -1.2837 -1.3147 PRESSURE: 3103600 401.819 -56.9797 165.455 -56.9792 54.0356 -49.1435 165.456 -49.1448 97.692 GPRESSURE: 3103600 496.572 -24.4998 201.169 -32.3761 81.163 -81.3361 114.055 -161.011 65.7697 PRESSAVG: 3103600 -13.9434 -33.8844 -16.2417 -33.8844 67.6935 -24.0996 -16.2417 -24.0996 -9.06361 GPRESSAVG: 3103600 -13.6236 -32.2689 -15.943 -34.9996 68.5861 -24.1522 -15.7866 -25.3693 -10.4306 TIMING: 3103600 CPU: 9808.18, 0.00318392/step Wall: 9808.18, 0.00318392/step, 1.67722 hours remaining, 240.359375 MB of memory in use. ENERGY: 3103600 3957.2585 20597.0622 14343.2648 233.7375 -203247.2910 2507.8964 0.0000 0.0000 52022.3508 -109585.7207 298.9732 -161608.0715 -109225.4768 299.0622 184.5156 214.5017 759953.4534 14.8955 14.8440 PRESSURE: 3103800 86.8638 -15.9215 -84.9204 -15.9221 146.726 -171.144 -84.9206 -171.144 404.838 GPRESSURE: 3103800 103.894 -58.8358 -56.6901 159.958 176.253 -199.726 53.2721 -47.1202 434.086 PRESSAVG: 3103800 -22.1506 -49.2959 2.37603 -49.2959 17.0477 -61.829 2.376 -61.829 28.2248 GPRESSAVG: 3103800 -23.2198 -52.1134 2.55831 -47.8335 17.0701 -62.1432 2.33083 -61.874 28.8694 TIMING: 3103800 CPU: 9808.82, 0.00318776/step Wall: 9808.82, 0.00318776/step, 1.67907 hours remaining, 240.359375 MB of memory in use. ENERGY: 3103800 4101.3235 20520.8179 14440.1461 235.4725 -203554.0743 2655.6901 0.0000 0.0000 52198.4520 -109402.1721 299.9852 -161600.6241 -109047.5859 299.7892 212.8094 238.0774 760928.9445 7.7073 7.5733 PRESSURE: 3104000 -161.146 -140.985 69.3307 -140.986 -248.049 -189.91 69.3304 -189.91 -216.465 GPRESSURE: 3104000 -152.343 -23.5447 79.1114 -5.93952 -162.226 -129.891 18.6313 -153.033 -214.355 PRESSAVG: 3104000 35.7119 16.1216 -4.4159 16.1217 -38.0105 -44.1901 -4.41587 -44.19 -8.29617 GPRESSAVG: 3104000 36.1058 19.5803 -4.06535 13.0331 -37.945 -44.7769 -4.42541 -42.0167 -8.81817 TIMING: 3104000 CPU: 9809.45, 0.00316221/step Wall: 9809.45, 0.00316221/step, 1.66543 hours remaining, 240.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3104000 3957.8073 20630.5690 14379.2977 258.9992 -203175.3307 2429.3474 0.0000 0.0000 52147.9979 -109371.3123 299.6953 -161519.3102 -109005.0142 299.9434 -208.5534 -176.3082 759997.9392 -3.5316 -3.5525 PRESSURE: 3104200 -112.693 -81.4658 -63.4455 -81.4673 -133.523 -178.589 -63.4444 -178.589 78.1142 GPRESSURE: 3104200 -126.378 -115.391 -10.9298 -95.134 -100.279 -134.652 -116.636 -256.826 158.525 PRESSAVG: 3104200 45.0948 12.244 -27.6083 12.244 1.90035 -45.5444 -27.6083 -45.5445 -1.34637 GPRESSAVG: 3104200 45.7566 10.264 -29.8107 12.7739 0.775737 -45.0024 -27.6472 -46.725 -1.08198 TIMING: 3104200 CPU: 9810.09, 0.00318664/step Wall: 9810.09, 0.00318664/step, 1.67812 hours remaining, 240.359375 MB of memory in use. ENERGY: 3104200 3998.5985 20576.0993 14389.2596 252.9061 -202919.1847 2285.6832 0.0000 0.0000 52097.7621 -109318.8760 299.4066 -161416.6381 -108956.4466 300.0440 -56.0341 -22.7108 760886.5483 15.2163 15.1501 LDB: ============= START OF LOAD BALANCING ============== 9822.49 LDB: ============== END OF LOAD BALANCING =============== 9822.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9822.49 LDB: ============= START OF LOAD BALANCING ============== 9822.81 LDB: Largest compute 7031 load 0.035639 is 18.2% of average load 0.196079 LDB: Average compute 0.004409 is 2.2% of average load 0.196079 LDB: TIME 9822.81 LOAD: AVG 0.196079 MAX 0.219734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 9822.81 LOAD: AVG 0.196079 MAX 0.219734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: TIME 9822.81 LOAD: AVG 0.196079 MAX 0.219734 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9822.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9822.82 PRESSURE: 3104400 254.495 -270.124 2.09185 -270.125 106.105 57.3176 2.09267 57.317 87.8409 GPRESSURE: 3104400 242.377 -183.2 24.0405 -219.272 180.861 49.2285 -2.74747 62.3705 115.254 PRESSAVG: 3104400 29.3195 7.54573 14.5669 7.54575 18.0628 -23.5984 14.5669 -23.5984 0.989828 GPRESSAVG: 3104400 28.0188 8.20289 14.7918 7.82081 19.4192 -24.0059 15.1685 -24.356 0.507816 TIMING: 3104400 CPU: 9810.73, 0.0032151/step Wall: 9810.73, 0.00321509/step, 1.69293 hours remaining, 237.437500 MB of memory in use. ENERGY: 3104400 4013.1049 20508.4730 14446.3912 233.1551 -203406.3575 2513.1807 0.0000 0.0000 52200.3273 -109491.7254 299.9960 -161692.0526 -109133.1203 300.0799 149.4802 179.4972 760129.7551 16.1240 15.9819 PRESSURE: 3104600 -400.708 54.3103 -158.719 54.3108 213.471 -93.5446 -158.718 -93.5444 142.96 GPRESSURE: 3104600 -292.918 0.343533 -179.137 -75.3775 212.673 -66.8992 -196.679 16.2735 121.699 PRESSAVG: 3104600 30.6961 5.51098 10.8464 5.51099 -57.4804 -11.995 10.8464 -11.9951 14.0582 GPRESSAVG: 3104600 30.9589 4.22513 11.4155 7.03382 -58.0888 -11.3625 12.1906 -11.019 14.6534 TIMING: 3104600 CPU: 9811.36, 0.0031536/step Wall: 9811.36, 0.0031536/step, 1.66037 hours remaining, 237.640625 MB of memory in use. ENERGY: 3104600 4067.7071 20587.0817 14472.7166 247.7041 -203462.0219 2652.8759 0.0000 0.0000 51945.6281 -109488.3084 298.5322 -161433.9365 -109124.6371 299.9205 -14.7592 13.8180 760983.6817 -4.2420 -4.1588 PRESSURE: 3104800 -94.8746 3.21408 -57.2257 3.21417 419.446 53.3653 -57.2255 53.365 241.403 GPRESSURE: 3104800 -115.61 69.1951 -44.8081 59.2328 483.794 157.972 43.4348 -20.4109 281.158 PRESSAVG: 3104800 -26.2774 -1.37672 -24.9953 -1.37658 51.8775 -25.3462 -24.9952 -25.3462 2.16343 GPRESSAVG: 3104800 -26.4746 -2.45351 -25.3479 -1.80032 51.8912 -24.4294 -25.9859 -27.3635 2.50024 TIMING: 3104800 CPU: 9812, 0.00315796/step Wall: 9812, 0.00315796/step, 1.66249 hours remaining, 237.640625 MB of memory in use. ENERGY: 3104800 3943.1685 20495.2252 14415.7019 253.2743 -203646.8010 2615.9095 0.0000 0.0000 52213.2331 -109710.2884 300.0702 -161923.5215 -109347.7124 299.2966 188.6583 216.4474 760710.3307 9.2545 9.3056 PRESSURE: 3105000 -23.8597 -308.494 3.90327 -308.494 344.358 -18.2054 3.90339 -18.2038 712.501 GPRESSURE: 3105000 107.162 -206.785 -61.4547 -232.945 299.42 26.9848 -7.63437 120.25 702.065 PRESSAVG: 3105000 -19.4918 -41.3414 4.08755 -41.3413 50.0721 10.4952 4.08757 10.4952 4.94769 GPRESSAVG: 3105000 -18.6263 -40.1031 3.95611 -42.0799 48.6087 11.0407 4.94328 12.6712 4.66043 TIMING: 3105000 CPU: 9812.63, 0.00317686/step Wall: 9812.63, 0.00317686/step, 1.67226 hours remaining, 237.640625 MB of memory in use. ENERGY: 3105000 4054.8350 20503.1199 14400.3330 247.0565 -203967.2736 2895.1577 0.0000 0.0000 52069.0947 -109797.6767 299.2418 -161866.7714 -109426.1799 299.2560 344.3329 369.5487 758785.5653 11.8426 11.5476 PRESSURE: 3105200 471.414 -88.6608 -27.2733 -88.6601 -114.34 25.5411 -27.2743 25.542 -80.3055 GPRESSURE: 3105200 377.928 -13.2941 11.9982 47.2356 -59.7793 51.4498 -50.4313 49.0204 41.9067 PRESSAVG: 3105200 8.76844 -27.7852 -9.40694 -27.7851 -12.4744 22.3504 -9.4069 22.3504 -4.29046 GPRESSAVG: 3105200 6.88821 -27.4639 -9.57771 -26.8533 -10.4292 21.8976 -9.99277 20.3473 -4.55186 TIMING: 3105200 CPU: 9813.27, 0.00317195/step Wall: 9813.27, 0.00317195/step, 1.6695 hours remaining, 237.640625 MB of memory in use. ENERGY: 3105200 3981.3396 20618.7626 14465.6111 244.7514 -204194.9207 2965.3069 0.0000 0.0000 52093.0574 -109826.0917 299.3795 -161919.1491 -109463.5755 298.8627 92.2562 120.0185 761874.2161 -2.6655 -2.6976 PRESSURE: 3105400 -92.6956 197.511 -137.959 197.512 -5.51537 -179.525 -137.959 -179.525 -276.688 GPRESSURE: 3105400 -25.8397 147.06 -161.479 206.472 -78.2904 -231.852 -113.646 -228.049 -184.551 PRESSAVG: 3105400 -19.2412 13.7781 -4.94147 13.7781 17.9292 29.2188 -4.94145 29.2188 -17.6831 GPRESSAVG: 3105400 -17.6012 14.364 -3.02447 13.9065 15.6947 29.5725 -6.5844 30.4272 -18.0234 TIMING: 3105400 CPU: 9813.9, 0.00314775/step Wall: 9813.9, 0.00314775/step, 1.65659 hours remaining, 237.640625 MB of memory in use. ENERGY: 3105400 4006.0931 20693.0724 14422.9870 250.1432 -203802.0192 2645.6055 0.0000 0.0000 51671.8061 -110112.3119 296.9586 -161784.1180 -109756.4978 298.4205 -124.9662 -96.2271 760202.8964 -6.3317 -6.6433 PRESSURE: 3105600 -93.3006 135.742 40.8654 135.742 41.5369 97.9232 40.8655 97.9228 294.741 GPRESSURE: 3105600 -46.6988 78.684 85.8365 161.99 60.6009 57.6248 -12.4322 179.404 327.642 PRESSAVG: 3105600 18.9359 7.03235 22.8634 7.03235 -44.0175 37.1212 22.8634 37.1212 2.88543 GPRESSAVG: 3105600 19.0816 7.75039 21.347 5.25156 -42.6149 35.7826 23.0864 36.8394 2.06684 TIMING: 3105600 CPU: 9814.53, 0.00316789/step Wall: 9814.53, 0.00316789/step, 1.66702 hours remaining, 237.640625 MB of memory in use. ENERGY: 3105600 3963.0649 20499.4424 14420.9609 241.2983 -203804.8387 2793.1998 0.0000 0.0000 52130.3308 -109756.5416 299.5937 -161886.8724 -109405.1513 298.5160 80.9923 113.8482 761846.6501 -7.3987 -7.1555 PRESSURE: 3105800 28.7682 99.9946 68.5023 99.9946 -86.1731 -310.366 68.5013 -310.366 55.4089 GPRESSURE: 3105800 7.79381 127.823 50.8874 48.793 31.7071 -357.396 27.3651 -273.902 50.3208 PRESSAVG: 3105800 -15.4778 19.1395 47.0405 19.1395 -7.6499 -7.16567 47.0404 -7.16566 -9.66464 GPRESSAVG: 3105800 -15.5972 18.0289 48.0829 20.3287 -8.29517 -6.28183 47.4724 -9.31476 -8.74798 TIMING: 3105800 CPU: 9815.16, 0.00315681/step Wall: 9815.16, 0.00315681/step, 1.66101 hours remaining, 237.640625 MB of memory in use. ENERGY: 3105800 3992.3364 20637.2253 14408.3603 239.7030 -203711.4012 2682.5816 0.0000 0.0000 52105.3185 -109645.8761 299.4500 -161751.1947 -109286.9837 299.3151 -0.6653 29.9406 761448.6292 -10.9308 -10.8801 PRESSURE: 3106000 -243.819 -61.7903 96.0756 -61.7895 86.5881 121.999 96.0753 121.998 -148.968 GPRESSURE: 3106000 -148.082 1.25164 82.2362 35.6027 113.539 142.088 52.7247 167.373 -194.574 PRESSAVG: 3106000 3.91058 17.7312 -9.05306 17.7313 0.645893 8.98864 -9.05313 8.98864 17.8283 GPRESSAVG: 3106000 3.90164 17.9446 -9.88938 18.1809 1.0582 8.49128 -9.71652 11.3482 17.8768 TIMING: 3106000 CPU: 9815.79, 0.00315715/step Wall: 9815.79, 0.00315715/step, 1.66101 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3106000 3930.3005 20599.0922 14413.1345 233.9058 -203317.4070 2640.9398 0.0000 0.0000 51915.7614 -109584.2727 298.3606 -161500.0341 -109222.8476 299.4193 -102.0662 -76.3726 760707.6679 7.4616 7.6122 PRESSURE: 3106200 -266.762 102.197 -50.3796 102.197 63.1729 150.147 -50.3793 150.147 -346.504 GPRESSURE: 3106200 -207.881 200.182 -16.1594 34.1308 63.6058 99.302 -99.6657 210.31 -308.78 PRESSAVG: 3106200 15.426 42.3002 1.73163 42.3001 -21.5237 37.9367 1.73162 37.9367 3.32343 GPRESSAVG: 3106200 14.7064 42.9573 2.1375 41.869 -20.1153 36.27 2.04857 39.2825 2.51867 TIMING: 3106200 CPU: 9816.43, 0.00317459/step Wall: 9816.43, 0.0031746/step, 1.67001 hours remaining, 237.640625 MB of memory in use. ENERGY: 3106200 4008.3601 20761.4249 14388.6428 254.1357 -203292.9542 2286.1596 0.0000 0.0000 51856.7856 -109737.4455 298.0217 -161594.2311 -109384.6506 298.6981 -183.3643 -151.0181 760402.9677 -0.9247 -0.9634 PRESSURE: 3106400 152.431 95.5501 210.167 95.5509 2.70988 225.311 210.167 225.311 177.238 GPRESSURE: 3106400 158.844 50.7894 212.708 143.832 84.3897 161.749 103.261 106.307 176.596 PRESSAVG: 3106400 21.3194 5.84233 9.29399 5.84232 -40.1262 8.38203 9.29401 8.38196 6.97167 GPRESSAVG: 3106400 20.481 4.9982 8.8011 7.85337 -40.3149 9.91581 9.52732 6.23087 7.9123 TIMING: 3106400 CPU: 9817.06, 0.00316752/step Wall: 9817.06, 0.00316752/step, 1.66611 hours remaining, 237.640625 MB of memory in use. ENERGY: 3106400 3996.8088 20547.8746 14470.4691 266.9575 -203636.7652 2740.4103 0.0000 0.0000 51911.8138 -109702.4312 298.3379 -161614.2450 -109345.7541 298.9085 110.7928 139.9433 761059.3544 -3.9450 -3.9739 PRESSURE: 3106600 111.462 -148.744 50.8222 -148.744 159.646 89.1714 50.8227 89.1728 187.545 GPRESSURE: 3106600 235.608 -36.495 33.543 -98.2052 176.679 148.311 -96.8802 127.011 128.319 PRESSAVG: 3106600 29.4902 27.7028 66.057 27.7029 -44.7378 -8.83299 66.057 -8.83302 8.81925 GPRESSAVG: 3106600 30.7557 27.7203 67.4282 26.7804 -45.3951 -8.30327 64.2118 -8.4729 8.30859 TIMING: 3106600 CPU: 9817.69, 0.00317218/step Wall: 9817.69, 0.00317218/step, 1.66839 hours remaining, 237.640625 MB of memory in use. ENERGY: 3106600 3923.0858 20454.7199 14467.6621 241.0424 -203702.5833 2687.4646 0.0000 0.0000 52165.7765 -109762.8321 299.7974 -161928.6085 -109411.2207 298.4181 152.8842 180.2021 759950.0575 -2.1428 -2.1103 PRESSURE: 3106800 -312.708 -55.1528 -16.0424 -55.1528 21.3581 -4.96234 -16.0425 -4.96223 -582.126 GPRESSURE: 3106800 -285.101 -139.973 -57.5234 -56.4444 -5.70555 7.73436 56.8812 -19.8362 -500.927 PRESSAVG: 3106800 15.5363 -19.3352 7.56764 -19.3352 -5.6724 -9.78145 7.5676 -9.78151 -1.57329 GPRESSAVG: 3106800 14.6573 -18.7695 7.34377 -18.7441 -5.25801 -11.4186 7.61239 -7.20308 -1.26639 TIMING: 3106800 CPU: 9818.33, 0.00316899/step Wall: 9818.33, 0.00316899/step, 1.66654 hours remaining, 237.640625 MB of memory in use. ENERGY: 3106800 4042.9795 20479.8542 14483.2371 242.9225 -203029.1221 2021.9324 0.0000 0.0000 52218.5088 -109539.6877 300.1005 -161758.1965 -109181.4522 298.4070 -291.1586 -263.9111 761735.6466 2.7635 2.7110 PRESSURE: 3107000 479.537 -45.3142 -223.682 -45.3152 -313.217 119.782 -223.682 119.781 146.988 GPRESSURE: 3107000 379.926 -114.539 -248.981 -114.794 -161.17 145.099 -206.572 126.814 162.958 PRESSAVG: 3107000 32.105 34.3977 56.4515 34.3976 -7.1632 64.7161 56.4515 64.7162 -1.12719 GPRESSAVG: 3107000 31.7001 34.3289 55.6716 34.2966 -6.7825 65.7224 57.2286 63.4004 -1.28558 TIMING: 3107000 CPU: 9818.96, 0.00314625/step Wall: 9818.96, 0.00314625/step, 1.6544 hours remaining, 237.640625 MB of memory in use. ENERGY: 3107000 4052.7516 20648.7117 14475.6315 247.4880 -203416.5817 2552.5827 0.0000 0.0000 52061.1624 -109378.2538 299.1962 -161439.4162 -109021.5404 299.6826 104.4362 127.2379 760892.3131 7.9382 7.8773 PRESSURE: 3107200 -245.095 -132.895 -49.9441 -132.895 -218.187 208.09 -49.9439 208.091 -23.3167 GPRESSURE: 3107200 -105.403 -38.3481 -20.1441 -100.325 -224.769 262.563 18.1566 247.33 -70.1629 PRESSAVG: 3107200 69.2363 17.8538 21.9692 17.8539 -59.3568 26.4941 21.9692 26.4941 -18.9377 GPRESSAVG: 3107200 70.4565 16.9669 22.9527 19.9548 -60.8419 26.0267 20.6536 27.986 -19.0035 TIMING: 3107200 CPU: 9819.59, 0.00316422/step Wall: 9819.59, 0.00316422/step, 1.66368 hours remaining, 237.640625 MB of memory in use. ENERGY: 3107200 4050.8346 20693.1511 14408.7089 247.4015 -203328.0523 2434.4441 0.0000 0.0000 51953.1575 -109540.3547 298.5755 -161493.5122 -109171.1797 299.8227 -162.1994 -133.4449 760896.7366 -3.0194 -3.1296 PRESSURE: 3107400 -82.6344 284.575 44.8268 284.576 -38.6794 -119.848 44.8266 -119.848 62.4075 GPRESSURE: 3107400 -5.42549 311.449 45.8102 275.428 31.406 11.7259 19.0018 -184.325 23.286 PRESSAVG: 3107400 68.5514 11.9375 22.793 11.9376 -74.6114 -12.7219 22.7931 -12.722 -15.8289 GPRESSAVG: 3107400 69.1336 12.2237 22.6362 8.16591 -75.4512 -12.1548 24.5817 -16.3556 -15.6953 TIMING: 3107400 CPU: 9820.22, 0.00315786/step Wall: 9820.22, 0.00315786/step, 1.66016 hours remaining, 237.640625 MB of memory in use. ENERGY: 3107400 4011.5665 20546.2647 14516.0198 259.2991 -203545.7526 2667.5191 0.0000 0.0000 52118.4976 -109426.5857 299.5257 -161545.0833 -109056.1361 299.9585 -19.6354 16.4222 761222.8212 -7.2963 -7.3376 PRESSURE: 3107600 -86.9316 -94.5609 285.463 -94.5601 204.696 -106.147 285.464 -106.147 -363.562 GPRESSURE: 3107600 -14.5719 20.741 305.243 -55.1898 202.016 -62.1168 89.9782 -234.282 -355.837 PRESSAVG: 3107600 56.5893 -3.21386 13.1289 -3.21387 -45.9655 2.20639 13.1289 2.20645 -12.4539 GPRESSAVG: 3107600 55.2739 -0.687075 13.8412 -3.16338 -45.7175 0.897667 12.7018 3.47754 -11.6263 TIMING: 3107600 CPU: 9820.86, 0.00317319/step Wall: 9820.86, 0.00317319/step, 1.66804 hours remaining, 237.640625 MB of memory in use. ENERGY: 3107600 4034.9604 20625.6309 14397.7234 251.6777 -203564.8817 2656.1502 0.0000 0.0000 52253.3741 -109345.3649 300.3009 -161598.7391 -108981.7184 299.7804 -81.9328 -56.1311 760492.4187 -0.6100 -0.6900 PRESSURE: 3107800 134.788 35.8897 -10.8306 35.8895 197.91 -12.4319 -10.8309 -12.4344 -86.8271 GPRESSURE: 3107800 219.019 73.1821 27.4118 -107.518 238.741 86.486 0.853014 -36.7153 -139.085 PRESSAVG: 3107800 38.0705 -7.70999 -13.0477 -7.71003 -46.5379 -29.7048 -13.0477 -29.7048 31.5127 GPRESSAVG: 3107800 37.5449 -7.12913 -13.4614 -7.02134 -44.9867 -29.9114 -11.011 -29.8169 30.0739 TIMING: 3107800 CPU: 9821.49, 0.00315568/step Wall: 9821.49, 0.00315568/step, 1.65866 hours remaining, 237.640625 MB of memory in use. ENERGY: 3107800 4020.5160 20648.1412 14458.2397 233.4570 -203583.6946 2661.8012 0.0000 0.0000 52323.3282 -109238.2113 300.7029 -161561.5394 -108879.3939 299.9276 81.9571 106.2249 759596.4914 7.6818 7.5440 PRESSURE: 3108000 -365.546 -13.8985 32.4621 -13.8977 -144.716 114.448 32.4622 114.448 117.663 GPRESSURE: 3108000 -298.936 -254.5 91.7565 41.9426 -129.397 49.0621 -49.9897 65.6926 117.642 PRESSAVG: 3108000 84.0992 -56.9123 25.4571 -56.9123 -3.99524 39.4029 25.4571 39.4029 0.327679 GPRESSAVG: 3108000 84.2823 -59.7708 26.6732 -57.9354 -4.27653 41.0907 22.0359 40.4762 0.0767674 TIMING: 3108000 CPU: 9822.12, 0.00317281/step Wall: 9822.12, 0.00317281/step, 1.66749 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3108000 3905.8607 20621.9636 14394.7738 227.8696 -203206.6794 2445.3104 0.0000 0.0000 52163.5110 -109447.3904 299.7844 -161610.9014 -109077.4447 300.2659 -130.8665 -103.5638 759782.1870 26.8105 26.6942 PRESSURE: 3108200 290.998 -52.2492 59.8817 -52.2505 112.563 -90.6364 59.8811 -90.6367 324.397 GPRESSURE: 3108200 240.771 -141.313 38.7205 75.9976 268.913 -64.0797 136.455 -59.1004 314.313 PRESSAVG: 3108200 2.7756 8.14415 25.8186 8.14419 9.35221 0.310744 25.8186 0.310759 9.72368 GPRESSAVG: 3108200 2.74603 9.80166 24.7464 11.3096 8.93086 0.528813 26.4621 -0.251073 10.5534 TIMING: 3108200 CPU: 9822.75, 0.00314733/step Wall: 9822.75, 0.00314733/step, 1.65392 hours remaining, 237.640625 MB of memory in use. ENERGY: 3108200 4012.1264 20586.3895 14447.2456 249.2301 -203289.9877 2584.6381 0.0000 0.0000 52012.6764 -109397.6817 298.9176 -161410.3581 -109042.0248 299.1992 242.6525 274.6657 760922.2430 7.2838 7.4101 LDB: ============= START OF LOAD BALANCING ============== 9835.15 LDB: ============== END OF LOAD BALANCING =============== 9835.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9835.15 LDB: ============= START OF LOAD BALANCING ============== 9835.47 LDB: Largest compute 7031 load 0.034894 is 17.8% of average load 0.196003 LDB: Average compute 0.004392 is 2.2% of average load 0.196003 LDB: TIME 9835.48 LOAD: AVG 0.196003 MAX 0.215258 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.949 MB LDB: TIME 9835.48 LOAD: AVG 0.196003 MAX 0.215258 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.949 MB LDB: TIME 9835.48 LOAD: AVG 0.196003 MAX 0.215258 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.949 MB LDB: ============== END OF LOAD BALANCING =============== 9835.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9835.48 PRESSURE: 3108400 63.3295 -134.779 49.464 -134.78 155.586 46.693 49.4638 46.6923 148.324 GPRESSURE: 3108400 124.476 -121.76 89.0519 -133.049 238.822 -9.70018 -92.2311 -20.3342 97.7618 PRESSAVG: 3108400 89.9855 -51.0107 48.7522 -51.0107 -51.6836 16.8077 48.7522 16.8077 10.7816 GPRESSAVG: 3108400 89.4546 -52.1639 49.3744 -52.3443 -50.1166 15.547 48.519 17.3845 9.76583 TIMING: 3108400 CPU: 9823.4, 0.00324226/step Wall: 9823.4, 0.00324226/step, 1.70363 hours remaining, 238.980469 MB of memory in use. ENERGY: 3108400 3953.4178 20544.1750 14441.6440 244.0682 -203596.1431 2820.2026 0.0000 0.0000 52072.9308 -109519.7048 299.2638 -161592.6356 -109145.3488 299.7427 122.4133 153.6867 761332.2036 16.3612 16.3680 PRESSURE: 3108600 -131.384 -56.6598 -61.4057 -56.6602 -18.1551 382.135 -61.4057 382.136 -86.4767 GPRESSURE: 3108600 -16.0945 -0.119856 -45.5033 -77.0199 -23.2749 352.046 -26.9551 381.075 -92.6235 PRESSAVG: 3108600 55.013 -88.3447 -17.2813 -88.3448 -15.4192 3.00422 -17.2814 3.0042 -20.1826 GPRESSAVG: 3108600 55.8148 -88.4982 -16.8576 -88.3382 -16.797 2.37651 -17.7035 4.49076 -19.7754 TIMING: 3108600 CPU: 9824.04, 0.00317578/step Wall: 9824.04, 0.00317578/step, 1.66852 hours remaining, 239.183594 MB of memory in use. ENERGY: 3108600 4001.4874 20432.4103 14411.1279 229.4558 -203859.5733 2889.5962 0.0000 0.0000 52137.0710 -109758.4248 299.6325 -161895.4958 -109395.7932 298.8742 -78.6721 -43.9976 763050.8582 6.4704 6.4141 PRESSURE: 3108800 -108.47 127.675 28.7464 127.675 -481.727 -142.353 28.7467 -142.352 -725.671 GPRESSURE: 3108800 -117.67 64.8557 23.3313 215.075 -422.44 -146.058 -13.5474 -91.01 -688.349 PRESSAVG: 3108800 52.9873 8.51814 -12.7774 8.51816 -55.3046 52.0256 -12.7774 52.0256 -6.13422 GPRESSAVG: 3108800 51.0135 9.13417 -15.4326 8.0171 -54.5327 53.244 -11.0163 49.7555 -5.26606 TIMING: 3108800 CPU: 9824.67, 0.00316123/step Wall: 9824.67, 0.00316123/step, 1.6607 hours remaining, 239.183594 MB of memory in use. ENERGY: 3108800 4026.1122 20599.8244 14424.9304 270.9110 -203536.5398 2360.3931 0.0000 0.0000 52050.5054 -109803.8633 299.1350 -161854.3687 -109443.9649 299.1538 -438.6224 -409.4862 762494.6704 -2.8172 -2.9284 PRESSURE: 3109000 18.1744 -90.6779 65.3477 -90.6783 -20.107 103.693 65.3474 103.692 161.413 GPRESSURE: 3109000 81.6581 -32.6304 -24.9148 -48.3012 12.1534 40.4851 38.6995 60.8177 128.371 PRESSAVG: 3109000 63.985 -27.2264 27.0256 -27.2263 -11.1996 75.0633 27.0256 75.0633 -1.35218 GPRESSAVG: 3109000 65.399 -26.9817 28.3289 -25.6418 -12.6175 73.1719 26.9495 74.5719 -1.27572 TIMING: 3109000 CPU: 9825.3, 0.00315656/step Wall: 9825.3, 0.00315656/step, 1.65807 hours remaining, 239.183594 MB of memory in use. ENERGY: 3109000 3918.1025 20532.3478 14419.4163 244.8016 -203414.4014 2392.3808 0.0000 0.0000 52087.8023 -109819.5501 299.3493 -161907.3524 -109461.0634 298.6770 53.1602 74.0608 760386.7474 17.1444 17.1686 PRESSURE: 3109200 156.295 -18.8143 25.686 -18.8143 -24.567 -58.4517 25.6861 -58.4515 243.992 GPRESSURE: 3109200 148.456 -79.5053 33.7446 -8.80991 118.429 -98.6354 -25.9448 100.618 192.36 PRESSAVG: 3109200 74.5711 5.28086 44.2012 5.28095 -57.1648 -5.46126 44.2012 -5.46121 18.1182 GPRESSAVG: 3109200 74.3057 5.80387 45.6562 4.49334 -55.6142 -2.65787 43.329 -5.71919 17.2255 TIMING: 3109200 CPU: 9825.93, 0.00314539/step Wall: 9825.93, 0.00314539/step, 1.65203 hours remaining, 239.183594 MB of memory in use. ENERGY: 3109200 3949.9298 20544.7192 14381.9339 255.2482 -203619.4673 2661.7750 0.0000 0.0000 52145.0128 -109680.8486 299.6781 -161825.8614 -109325.0334 299.1341 125.2402 153.0819 759743.9469 11.8415 11.9724 PRESSURE: 3109400 -111.665 153.058 141.806 153.058 -226.064 -55.2427 141.807 -55.2423 -39.9402 GPRESSURE: 3109400 -76.1234 124.922 207.668 83.3246 -234.131 -48.4002 252.135 -11.2657 25.8922 PRESSAVG: 3109400 19.0208 -3.41922 44.8664 -3.41921 -14.3812 32.3264 44.8664 32.3264 -7.29752 GPRESSAVG: 3109400 18.3893 -3.10537 44.6542 -4.10778 -15.7154 28.999 45.7459 33.6326 -5.66336 TIMING: 3109400 CPU: 9826.56, 0.0031693/step Wall: 9826.56, 0.0031693/step, 1.66441 hours remaining, 239.183594 MB of memory in use. ENERGY: 3109400 4038.3655 20543.9173 14407.9278 261.7998 -203414.3283 2401.4077 0.0000 0.0000 51980.1451 -109780.7651 298.7306 -161760.9102 -109424.3566 299.3765 -125.8896 -94.7875 760969.9484 -0.8860 -0.9965 PRESSURE: 3109600 310.23 60.8892 -18.023 60.8892 2.97583 171.73 -18.0219 171.73 -289.973 GPRESSURE: 3109600 378.021 112.244 -11.9908 60.1162 41.7796 156.562 -80.5945 77.5452 -296.765 PRESSAVG: 3109600 28.0039 -16.1325 9.22789 -16.1325 -70.0993 -47.8228 9.22785 -47.8228 -6.96313 GPRESSAVG: 3109600 27.0766 -16.7206 9.43625 -14.3355 -68.2966 -47.6512 9.95915 -47.219 -7.91003 TIMING: 3109600 CPU: 9827.19, 0.00313244/step Wall: 9827.19, 0.00313244/step, 1.64488 hours remaining, 239.183594 MB of memory in use. ENERGY: 3109600 4004.5036 20422.5187 14447.2929 236.5331 -203489.9841 2650.4449 0.0000 0.0000 52021.7727 -109706.9183 298.9698 -161728.6910 -109355.7781 298.9823 7.7444 41.0120 761780.7972 -16.3528 -16.3767 PRESSURE: 3109800 7.5682 28.2749 268.929 28.2744 -16.4041 -12.9051 268.929 -12.9034 -143.047 GPRESSURE: 3109800 -39.5643 79.2414 204.08 52.2969 45.4979 -65.1451 182.183 -19.9658 -72.1397 PRESSAVG: 3109800 -23.9409 0.362936 51.2501 0.362913 8.96189 -14.7606 51.2501 -14.7606 -4.78148 GPRESSAVG: 3109800 -23.3849 0.00992774 50.1365 -1.34067 7.97535 -12.8311 50.6809 -16.7043 -4.57949 TIMING: 3109800 CPU: 9827.81, 0.00313149/step Wall: 9827.81, 0.00313149/step, 1.6442 hours remaining, 239.183594 MB of memory in use. ENERGY: 3109800 3950.7435 20489.6814 14533.8263 247.7238 -203082.7723 2356.8827 0.0000 0.0000 51758.3255 -109745.5891 297.4558 -161503.9146 -109394.4850 299.0071 -50.6276 -22.0687 761855.0262 -6.5868 -6.6630 PRESSURE: 3110000 -294.82 -79.4511 -120.903 -79.4511 25.6337 -103.55 -120.904 -103.551 -60.7837 GPRESSURE: 3110000 -245.773 -9.17779 -103.679 -96.0854 7.21819 -4.05182 -89.2946 -177.873 -8.16879 PRESSAVG: 3110000 38.1509 3.46161 -61.281 3.46166 2.77451 -18.9049 -61.2811 -18.905 -8.26084 GPRESSAVG: 3110000 36.6243 2.77829 -59.7941 5.05276 4.30076 -19.6774 -63.5477 -19.632 -7.71933 TIMING: 3110000 CPU: 9828.44, 0.00313882/step Wall: 9828.44, 0.00313882/step, 1.64788 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3110000 3949.9271 20552.4641 14462.4638 227.5970 -203212.1181 2629.4486 0.0000 0.0000 51801.7368 -109588.4808 297.7053 -161390.2176 -109238.0690 299.0668 -109.9900 -82.2413 763210.0302 10.8882 11.0686 PRESSURE: 3110200 -41.6729 -38.6697 21.8303 -38.6704 240.13 -234.095 21.8313 -234.095 -155.344 GPRESSURE: 3110200 0.490879 37.8635 37.1914 -165.628 286.422 -180.602 -50.75 -256.798 -175.809 PRESSAVG: 3110200 1.90182 7.76246 -22.3884 7.76242 15.7173 -26.685 -22.3884 -26.6849 9.76474 GPRESSAVG: 3110200 3.72921 6.15232 -23.0964 6.83407 13.7579 -25.6581 -20.8108 -25.8384 9.05722 TIMING: 3110200 CPU: 9829.07, 0.00314916/step Wall: 9829.07, 0.00314916/step, 1.65313 hours remaining, 239.183594 MB of memory in use. ENERGY: 3110200 4034.5363 20591.5838 14435.3695 239.0529 -203266.1000 2505.5985 0.0000 0.0000 51883.6675 -109576.2915 298.1762 -161459.9590 -109221.1609 298.5056 14.3709 37.0345 761657.3073 9.1280 8.8481 PRESSURE: 3110400 423.078 -113.203 -145.566 -113.203 236.823 -256.793 -145.566 -256.793 470.291 GPRESSURE: 3110400 422.209 -112.186 -130.453 -69.6249 351.372 -183.693 -191.071 -144.936 431.072 PRESSAVG: 3110400 -16.8996 -24.0493 23.0476 -24.0493 17.5682 -27.1227 23.0475 -27.1226 -17.807 GPRESSAVG: 3110400 -18.5729 -22.9308 23.2505 -22.6593 20.0947 -26.9464 22.6148 -25.8597 -18.1594 TIMING: 3110400 CPU: 9829.7, 0.00315407/step Wall: 9829.7, 0.00315407/step, 1.65554 hours remaining, 239.183594 MB of memory in use. ENERGY: 3110400 3864.7743 20405.2524 14465.5548 255.2587 -203722.0288 2871.9910 0.0000 0.0000 52190.7767 -109668.4209 299.9411 -161859.1976 -109305.6496 299.1019 376.7306 401.5507 761511.3763 -5.7128 -5.5459 PRESSURE: 3110600 -56.6703 -32.6432 -76.9349 -32.6426 -165.801 99.3723 -76.9345 99.3725 -823.071 GPRESSURE: 3110600 -8.82461 -65.1893 -108.337 -30.6551 -165.863 14.458 148.246 128.441 -765.948 PRESSAVG: 3110600 73.1513 27.4767 12.8149 27.4767 -79.0888 -3.48042 12.8149 -3.48048 5.30557 GPRESSAVG: 3110600 75.8999 28.8329 12.5265 26.5589 -81.0582 -4.12842 13.2786 -3.47674 5.06593 TIMING: 3110600 CPU: 9830.33, 0.00315493/step Wall: 9830.33, 0.00315493/step, 1.65581 hours remaining, 239.183594 MB of memory in use. ENERGY: 3110600 4008.4790 20550.8941 14406.2246 249.0722 -202792.0772 2232.9594 0.0000 0.0000 51914.1869 -109430.2609 298.3515 -161344.4478 -109072.2172 299.3579 -348.5141 -313.5453 764262.3217 -0.2106 -0.0308 PRESSURE: 3110800 -96.7112 -51.9312 162.586 -51.9308 -73.1224 -74.881 162.586 -74.8815 -68.4723 GPRESSURE: 3110800 -100.676 -112.582 118.154 -48.4306 72.7906 -35.6592 132.549 -109.974 -128.602 PRESSAVG: 3110800 -5.45144 -55.8178 49.3037 -55.8178 -39.2897 28.0796 49.3037 28.0797 -12.0849 GPRESSAVG: 3110800 -6.08319 -55.7573 48.511 -55.7857 -38.0614 29.5845 51.591 27.1826 -12.6324 TIMING: 3110800 CPU: 9830.96, 0.0031458/step Wall: 9830.96, 0.0031458/step, 1.65085 hours remaining, 239.183594 MB of memory in use. ENERGY: 3110800 3957.1653 20544.9103 14330.0258 229.3579 -203143.4164 2526.9384 0.0000 0.0000 52156.5855 -109398.4332 299.7446 -161555.0186 -109034.0213 298.6854 -79.4353 -52.1624 761954.0239 -18.9420 -18.9257 PRESSURE: 3111000 268.053 -161.253 68.3765 -161.253 -21.5873 139.652 68.3771 139.652 321.346 GPRESSURE: 3111000 275.317 -69.3358 90.624 -58.9316 75.2794 172.552 32.1062 101.333 281.528 PRESSAVG: 3111000 -30.8577 -61.8022 4.79306 -61.8022 9.32597 -30.1514 4.79307 -30.1514 14.0655 GPRESSAVG: 3111000 -31.2833 -62.0767 4.85933 -63.2259 9.51909 -31.8932 1.82599 -30.445 14.2602 TIMING: 3111000 CPU: 9831.59, 0.00314273/step Wall: 9831.59, 0.00314273/step, 1.64906 hours remaining, 239.183594 MB of memory in use. ENERGY: 3111000 3972.9947 20528.1581 14331.7306 261.4341 -202916.3599 2376.5007 0.0000 0.0000 52085.6871 -109359.8547 299.3372 -161445.5417 -108993.3863 299.4326 189.2706 210.7081 761629.7337 -2.4887 -2.5013 PRESSURE: 3111200 -160.032 32.4913 164.895 32.4916 69.2244 -45.1011 164.895 -45.1008 -317.504 GPRESSURE: 3111200 -120.996 -128.467 126.988 58.1217 56.2802 -136.767 284.137 -49.1736 -271.767 PRESSAVG: 3111200 49.1359 -63.194 27.2552 -63.194 -0.230451 40.3137 27.2552 40.3137 -1.69095 GPRESSAVG: 3111200 48.9596 -64.8996 27.2379 -61.1623 -0.94872 40.4971 28.9649 41.178 -0.701509 TIMING: 3111200 CPU: 9832.22, 0.00312111/step Wall: 9832.22, 0.00312111/step, 1.63754 hours remaining, 239.183594 MB of memory in use. ENERGY: 3111200 3879.6868 20516.3580 14353.7968 260.2402 -202780.4808 2095.1322 0.0000 0.0000 52045.8184 -109629.4485 299.1080 -161675.2668 -109270.8773 299.2573 -136.1037 -112.1609 761914.4738 15.7382 15.7698 PRESSURE: 3111400 -141.71 -86.7551 253.563 -86.7551 43.9368 -262.406 253.562 -262.406 364.486 GPRESSURE: 3111400 -63.6175 -63.6697 254.497 2.4583 67.0244 -171.533 103.708 -190.098 357.031 PRESSAVG: 3111400 2.28273 -44.4123 23.1489 -44.4122 24.8189 31.7422 23.149 31.7423 0.905702 GPRESSAVG: 3111400 2.74938 -42.8824 24.0353 -43.3136 24.7619 31.5214 22.9927 32.1151 1.06384 TIMING: 3111400 CPU: 9832.84, 0.00312651/step Wall: 9832.84, 0.00312651/step, 1.6402 hours remaining, 239.183594 MB of memory in use. ENERGY: 3111400 4025.6845 20453.0334 14461.0588 249.5951 -203796.8776 2590.7915 0.0000 0.0000 52011.5617 -110005.1526 298.9112 -162016.7143 -109645.8115 298.6644 88.9044 120.1460 759759.0429 9.3358 9.5250 PRESSURE: 3111600 80.1303 -38.1851 -101.058 -38.1845 192.312 32.694 -101.058 32.694 64.9947 GPRESSURE: 3111600 176.474 -66.8952 -118.46 -90.4145 148.455 51.1803 -132.317 210.376 81.7247 PRESSAVG: 3111600 26.5405 -32.9224 -9.3432 -32.9223 -24.1522 1.68273 -9.34324 1.68267 5.17532 GPRESSAVG: 3111600 25.9153 -33.5621 -9.91375 -34.3893 -22.6039 2.29578 -13.3065 1.60615 4.23479 TIMING: 3111600 CPU: 9833.47, 0.00315462/step Wall: 9833.47, 0.00315462/step, 1.65477 hours remaining, 239.183594 MB of memory in use. ENERGY: 3111600 3942.5138 20334.2352 14437.9444 262.6587 -203804.5938 2632.8291 0.0000 0.0000 51935.3694 -110259.0433 298.4733 -162194.4126 -109897.7581 298.4107 112.4790 135.5510 759323.5428 2.5212 2.5154 PRESSURE: 3111800 230.424 -19.5146 -94.7196 -19.5153 -38.9965 293.168 -94.7208 293.167 85.4387 GPRESSURE: 3111800 345.428 37.3923 -83.9825 20.2833 -96.7032 356.726 -8.90232 279.918 110.762 PRESSAVG: 3111800 3.263 -49.8808 27.4433 -49.8808 -14.7569 9.79199 27.4434 9.79204 3.43032 GPRESSAVG: 3111800 5.93779 -51.3392 26.7765 -48.6378 -17.5885 10.593 32.2356 11.4583 3.89087 TIMING: 3111800 CPU: 9834.1, 0.00315092/step Wall: 9834.1, 0.00315092/step, 1.65266 hours remaining, 239.183594 MB of memory in use. ENERGY: 3111800 3941.2518 20580.6611 14414.8747 244.0735 -203861.9654 2777.6355 0.0000 0.0000 51850.4703 -110052.9985 297.9854 -161903.4688 -109693.2600 298.1442 92.2888 119.8291 758699.6997 -2.6878 -2.5866 PRESSURE: 3112000 -26.6243 59.6781 -99.4461 59.6781 -87.9653 6.14001 -99.4453 6.141 -35.6775 GPRESSURE: 3112000 -15.874 125.944 -68.9117 50.5777 51.4351 -76.2897 -81.1935 -2.12329 -89.8397 PRESSAVG: 3112000 26.8682 -10.372 -3.98339 -10.372 -27.8309 60.8619 -3.98343 60.8619 -2.88643 GPRESSAVG: 3112000 25.0137 -9.3062 -3.04306 -12.6541 -26.038 60.3019 -6.1981 60.5342 -2.60681 TIMING: 3112000 CPU: 9834.73, 0.00315114/step Wall: 9834.73, 0.00315114/step, 1.6526 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3112000 4062.2017 20481.8755 14420.0972 246.6113 -203937.2973 2722.2474 0.0000 0.0000 52250.4862 -109753.7779 300.2843 -162004.2641 -109388.4771 298.9052 -50.0890 -18.0929 759754.4052 -1.2831 -1.2104 PRESSURE: 3112200 -56.8858 -127.091 266.281 -127.091 135.964 -66.3284 266.281 -66.3285 -175.801 GPRESSURE: 3112200 25.0823 -190.049 212.525 -107.681 171.932 -93.2376 254.516 0.698144 -214.602 PRESSAVG: 3112200 2.54513 3.49947 45.0301 3.4995 -47.8179 8.65905 45.0301 8.65903 7.0408 GPRESSAVG: 3112200 3.57402 3.02575 45.3849 5.29609 -48.8175 7.90089 44.8581 7.51972 7.13867 TIMING: 3112200 CPU: 9835.36, 0.00315075/step Wall: 9835.36, 0.00315075/step, 1.65222 hours remaining, 239.183594 MB of memory in use. ENERGY: 3112200 4020.6325 20534.9341 14527.3476 239.3766 -203523.3465 2278.9350 0.0000 0.0000 52316.4790 -109605.6417 300.6635 -161922.1207 -109232.3953 299.4240 -32.2410 -5.8624 759166.4737 -12.7440 -12.7016 LDB: ============= START OF LOAD BALANCING ============== 9847.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9847.76 LDB: =============== DONE WITH MIGRATION ================ 9847.77 LDB: ============= START OF LOAD BALANCING ============== 9848.08 LDB: Largest compute 7058 load 0.032798 is 16.7% of average load 0.196114 LDB: Average compute 0.004394 is 2.2% of average load 0.196114 LDB: TIME 9848.09 LOAD: AVG 0.196114 MAX 0.218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 9848.09 LOAD: AVG 0.196114 MAX 0.218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 9848.09 LOAD: AVG 0.196114 MAX 0.218 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 9848.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9848.1 PRESSURE: 3112400 279.412 -12.8776 74.1737 -12.8768 354.62 204.418 74.1731 204.417 202.939 GPRESSURE: 3112400 290.313 -19.4248 12.1364 -51.8931 390.483 247.361 96.5382 185.261 222.837 PRESSAVG: 3112400 86.2282 18.5123 4.09117 18.5124 -49.9888 17.0646 4.09116 17.0646 10.6524 GPRESSAVG: 3112400 85.5504 19.7894 4.56139 17.2239 -49.2519 17.9427 5.48248 17.7834 10.7663 TIMING: 3112400 CPU: 9836.01, 0.00324918/step Wall: 9836.01, 0.00324918/step, 1.70365 hours remaining, 237.332031 MB of memory in use. ENERGY: 3112400 3994.4167 20441.4687 14464.7115 263.0540 -203705.6273 2712.5742 0.0000 0.0000 51990.8859 -109838.5164 298.7923 -161829.4023 -109462.0208 299.3263 278.9902 301.2110 759296.4510 15.6306 15.6883 PRESSURE: 3112600 31.8061 262.585 219.19 262.585 -247.916 90.556 219.191 90.5558 313.041 GPRESSURE: 3112600 11.0884 206.175 267.53 240.247 -146.392 96.7502 88.4068 2.89563 326.873 PRESSAVG: 3112600 54.5074 57.4689 45.1421 57.469 -27.4345 -8.09476 45.1421 -8.09474 10.5663 GPRESSAVG: 3112600 54.458 55.4959 43.4912 56.1153 -26.4255 -8.23168 42.6113 -8.96173 9.45299 TIMING: 3112600 CPU: 9836.65, 0.00317238/step Wall: 9836.65, 0.00317238/step, 1.66321 hours remaining, 237.332031 MB of memory in use. ENERGY: 3112600 3982.1897 20443.5734 14429.0267 256.2474 -203857.5395 2800.1321 0.0000 0.0000 52100.6876 -109845.6826 299.4234 -161946.3702 -109481.7653 298.6791 32.3103 63.8565 760219.5324 12.5464 12.4952 PRESSURE: 3112800 52.1485 -237.573 25.3794 -237.572 95.7058 -124.75 25.3804 -124.75 187.44 GPRESSURE: 3112800 149.913 -172.965 98.0876 -179.04 73.4466 -152.188 -7.51361 -14.5852 175.692 PRESSAVG: 3112800 23.49 22.5584 -20.3112 22.5584 -61.1034 23.3528 -20.3112 23.3528 10.1584 GPRESSAVG: 3112800 24.063 24.713 -21.4183 24.1 -63.2896 22.9118 -17.7485 23.8878 11.3792 TIMING: 3112800 CPU: 9837.28, 0.00315435/step Wall: 9837.28, 0.00315435/step, 1.65358 hours remaining, 237.332031 MB of memory in use. ENERGY: 3112800 3968.7440 20437.7243 14453.7734 241.2984 -203665.7567 2651.3128 0.0000 0.0000 51947.2923 -109965.6114 298.5418 -161912.9037 -109604.6370 298.5344 111.7648 133.0174 759618.9471 -9.1517 -9.2825 PRESSURE: 3113000 7.98787 169.402 -12.0403 169.402 218.099 -203.748 -12.0402 -203.749 -254.295 GPRESSURE: 3113000 35.2754 148.065 1.37655 206.708 255.532 -268.004 57.2837 -196.5 -240.137 PRESSAVG: 3113000 36.6584 3.41543 3.79296 3.41539 -39.671 30.4518 3.79298 30.4519 -3.89256 GPRESSAVG: 3113000 36.8879 1.08972 6.56588 4.11536 -39.2296 30.5269 2.69227 31.6006 -4.50464 TIMING: 3113000 CPU: 9837.91, 0.00315257/step Wall: 9837.91, 0.00315257/step, 1.65247 hours remaining, 237.332031 MB of memory in use. ENERGY: 3113000 3983.0506 20314.7688 14602.5846 248.9515 -203694.1457 2746.4110 0.0000 0.0000 52125.8364 -109672.5427 299.5679 -161798.3791 -109306.6895 299.2943 -9.4028 16.8903 761288.0516 -2.3017 -2.2821 PRESSURE: 3113200 -150.536 -15.8881 176.895 -15.8879 78.8936 -121.631 176.895 -121.631 194.908 GPRESSURE: 3113200 -133.857 3.83917 130.752 -46.8578 160.677 -51.1238 237.969 -116.121 187.967 PRESSAVG: 3113200 -27.8977 45.5258 9.6225 45.5258 35.8747 -9.6747 9.62256 -9.67459 5.96965 GPRESSAVG: 3113200 -28.8279 47.025 7.42402 44.9092 36.2282 -9.18721 9.32115 -11.1542 6.76889 TIMING: 3113200 CPU: 9838.54, 0.00316525/step Wall: 9838.54, 0.00316525/step, 1.65894 hours remaining, 237.332031 MB of memory in use. ENERGY: 3113200 4036.1042 20720.8083 14453.7820 249.3608 -203494.5590 2488.2493 0.0000 0.0000 52000.9245 -109545.3299 298.8500 -161546.2544 -109190.3853 298.8721 41.0886 71.5957 761012.7963 4.6489 4.7231 PRESSURE: 3113400 308.22 -25.756 -56.4257 -25.756 -346.837 50.3949 -56.4258 50.3946 140.06 GPRESSURE: 3113400 323.107 23.149 25.8868 -41.245 -276.487 133.155 -27.8622 -19.8639 144.269 PRESSAVG: 3113400 -11.2112 35.1739 23.8841 35.1739 9.65197 49.0665 23.8841 49.0665 39.6715 GPRESSAVG: 3113400 -10.5965 34.0812 24.206 36.078 9.23145 47.6721 25.6005 50.2222 39.2125 TIMING: 3113400 CPU: 9839.18, 0.00317321/step Wall: 9839.18, 0.00317321/step, 1.66294 hours remaining, 237.332031 MB of memory in use. ENERGY: 3113400 3920.6638 20654.0058 14484.1178 239.8351 -203660.2549 2810.6021 0.0000 0.0000 52019.5966 -109531.4338 298.9573 -161551.0304 -109174.1326 299.2742 33.8144 63.6297 762474.6197 12.7041 12.6158 PRESSURE: 3113600 25.24 -159.93 170.965 -159.93 -436.641 -206.474 170.966 -206.475 0.189669 GPRESSURE: 3113600 81.5437 -10.5654 172.927 -10.1261 -431.521 -219.316 148.221 -183.522 10.2666 PRESSAVG: 3113600 35.4225 -6.46269 28.6496 -6.46271 2.02771 25.522 28.6496 25.522 36.7697 GPRESSAVG: 3113600 35.9271 -3.64737 29.5159 -5.97075 2.08701 25.135 27.3268 26.3796 36.6136 TIMING: 3113600 CPU: 9839.81, 0.00316678/step Wall: 9839.81, 0.00316678/step, 1.65939 hours remaining, 237.332031 MB of memory in use. ENERGY: 3113600 4001.0950 20412.3785 14515.1156 239.4980 -203563.5727 2722.2205 0.0000 0.0000 52237.3589 -109435.9063 300.2088 -161673.2652 -109081.8315 299.1949 -137.0705 -113.2368 761932.2304 24.7400 24.8759 PRESSURE: 3113800 -10.4331 -95.3045 -14.0565 -95.3047 235.428 101.671 -14.0567 101.67 179.921 GPRESSURE: 3113800 40.443 -142.027 -70.7472 -64.0523 310.354 150.496 54.573 -21.9771 118.923 PRESSAVG: 3113800 31.1808 38.0814 32.8749 38.0814 -56.1262 11.3906 32.8749 11.3906 -12.0198 GPRESSAVG: 3113800 30.3471 36.9091 32.3261 36.5077 -54.4118 11.4278 34.2238 9.04201 -12.9083 TIMING: 3113800 CPU: 9840.44, 0.00315333/step Wall: 9840.44, 0.00315333/step, 1.65217 hours remaining, 237.332031 MB of memory in use. ENERGY: 3113800 4008.1403 20513.5271 14495.1227 245.6841 -203096.1024 2395.3531 0.0000 0.0000 51898.2628 -109540.0123 298.2600 -161438.2751 -109167.5458 299.7636 134.9718 156.5735 761717.3370 -12.3217 -12.3244 PRESSURE: 3114000 -393.658 136.246 171.316 136.246 -285.082 79.1935 171.316 79.1934 -292.639 GPRESSURE: 3114000 -393.783 26.3634 78.2773 83.7441 -226.262 37.8934 122.347 -16.1791 -298.185 PRESSAVG: 3114000 51.4838 -17.3461 6.86238 -17.3462 -30.6493 28.3832 6.86239 28.3832 16.8173 GPRESSAVG: 3114000 50.696 -17.1329 8.21368 -16.523 -30.8038 29.6346 6.77731 28.0724 17.8482 TIMING: 3114000 CPU: 9841.08, 0.0031821/step Wall: 9841.08, 0.0031821/step, 1.66707 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3114000 4021.2196 20710.4270 14484.5659 241.7282 -203417.3514 2636.0778 0.0000 0.0000 51914.3290 -109409.0038 298.3524 -161323.3328 -109053.0024 298.9402 -323.7931 -306.0767 763374.7909 12.5506 12.5801 PRESSURE: 3114200 14.0786 17.6104 -161.716 17.6113 -427.928 -80.506 -161.715 -80.5064 -219.22 GPRESSURE: 3114200 12.6352 35.5407 -201.782 41.7435 -346.411 -129.798 -126.345 -146.839 -214.894 PRESSAVG: 3114200 35.3493 7.82786 14.7052 7.82789 -38.5584 17.9159 14.7052 17.9158 -0.124548 GPRESSAVG: 3114200 35.7892 7.69689 14.183 8.48479 -39.1238 17.3816 15.4466 18.242 0.429096 TIMING: 3114200 CPU: 9841.71, 0.00318089/step Wall: 9841.71, 0.00318088/step, 1.66625 hours remaining, 237.332031 MB of memory in use. ENERGY: 3114200 4047.7398 20570.2319 14481.1441 210.3572 -203587.6311 2622.4105 0.0000 0.0000 51974.3487 -109681.3990 298.6973 -161655.7477 -109323.0571 299.5591 -211.0230 -182.8902 762013.6521 -1.1112 -0.9685 PRESSURE: 3114400 80.0725 46.7071 -143.544 46.7074 -1.38507 -266.943 -143.544 -266.943 379.648 GPRESSURE: 3114400 233.085 32.7321 -167.408 54.1594 15.4327 -222.991 -151.075 -63.5443 301.303 PRESSAVG: 3114400 16.0548 -26.075 -11.5266 -26.075 10.8775 -4.54007 -11.5266 -4.54002 -3.83733 GPRESSAVG: 3114400 15.0036 -27.9273 -13.1041 -25.879 11.2913 -4.94525 -12.7053 -1.48823 -3.43045 TIMING: 3114400 CPU: 9842.35, 0.00316133/step Wall: 9842.35, 0.00316133/step, 1.65583 hours remaining, 237.332031 MB of memory in use. ENERGY: 3114400 3988.3860 20467.5335 14474.0872 249.4036 -203629.4456 2735.7061 0.0000 0.0000 51881.6683 -109832.6608 298.1647 -161714.3291 -109475.2151 299.0297 152.7783 183.2735 761189.2927 7.6983 7.6215 PRESSURE: 3114600 -426.538 -306.462 -298.717 -306.462 -251.61 -49.4283 -298.717 -49.4288 -245.501 GPRESSURE: 3114600 -344.306 -287.435 -324.991 -251.206 -245.294 -119.661 -262.737 87.269 -231.079 PRESSAVG: 3114600 8.35007 -9.59876 -38.0258 -9.59875 -19.1254 -41.0726 -38.0258 -41.0726 -0.515037 GPRESSAVG: 3114600 9.72711 -7.74427 -37.283 -12.0801 -19.8732 -41.9443 -37.975 -41.4234 -1.54433 TIMING: 3114600 CPU: 9842.97, 0.00314526/step Wall: 9842.97, 0.00314526/step, 1.64724 hours remaining, 237.332031 MB of memory in use. ENERGY: 3114600 4051.4130 20379.1686 14442.7010 231.2470 -203092.1345 2285.2895 0.0000 0.0000 52057.2681 -109645.0472 299.1738 -161702.3153 -109281.7012 298.8591 -307.8829 -273.5598 760895.1742 -3.7635 -3.8968 PRESSURE: 3114800 327.416 -40.6557 -175.708 -40.6565 170.691 -0.368262 -175.708 -0.368133 258.626 GPRESSURE: 3114800 363.151 -109.816 -208.229 45.8989 251.822 -42.5618 -225.132 -11.9182 232.675 PRESSAVG: 3114800 95.949 -10.7689 -86.6215 -10.7689 -54.971 -17.1375 -86.6214 -17.1374 -1.98468 GPRESSAVG: 3114800 94.1101 -13.0812 -85.4308 -9.03558 -53.7542 -15.828 -88.9253 -18.6285 -1.42573 TIMING: 3114800 CPU: 9843.61, 0.00315544/step Wall: 9843.61, 0.00315544/step, 1.6524 hours remaining, 237.332031 MB of memory in use. ENERGY: 3114800 4052.8382 20361.6194 14470.5146 258.6179 -203404.9002 2562.5739 0.0000 0.0000 52062.2968 -109636.4394 299.2027 -161698.7362 -109268.8053 299.2549 252.2442 282.5493 759694.2581 12.9978 12.9767 PRESSURE: 3115000 105.392 -93.8028 -161.54 -93.8027 -299.776 -124.263 -161.539 -124.264 -369.091 GPRESSURE: 3115000 45.0718 -31.3638 -35.3834 -73.6243 -246.069 -156.627 -159.978 -151.333 -277.693 PRESSAVG: 3115000 18.5474 -33.4548 -56.2788 -33.4549 11.5135 -13.9512 -56.2788 -13.9511 6.25302 GPRESSAVG: 3115000 18.7019 -31.4298 -58.4403 -33.4405 10.943 -14.832 -53.5187 -11.8291 6.66699 TIMING: 3115000 CPU: 9844.24, 0.00316078/step Wall: 9844.24, 0.00316078/step, 1.65502 hours remaining, 237.332031 MB of memory in use. ENERGY: 3115000 3987.7660 20533.5685 14436.6434 269.0904 -203514.9320 2449.0850 0.0000 0.0000 52018.8556 -109819.9231 298.9531 -161838.7787 -109462.4412 298.9051 -187.8247 -159.5634 761871.8052 12.1046 12.1040 PRESSURE: 3115200 24.9894 239.274 301.687 239.273 -327.36 52.7782 301.687 52.778 -303.101 GPRESSURE: 3115200 25.07 164.744 281.665 122.735 -286.535 137.589 153.533 -26.7323 -255.596 PRESSAVG: 3115200 36.3746 14.7823 -6.1749 14.7823 -94.6071 -9.01911 -6.17486 -9.01913 15.2435 GPRESSAVG: 3115200 37.315 15.6055 -4.70149 12.0482 -94.6432 -7.09705 -6.73736 -11.7134 14.1011 TIMING: 3115200 CPU: 9844.87, 0.00315225/step Wall: 9844.87, 0.00315225/step, 1.65038 hours remaining, 237.332031 MB of memory in use. ENERGY: 3115200 3931.1992 20440.3191 14381.0916 261.1215 -203413.7527 2318.0246 0.0000 0.0000 52017.4163 -110064.5804 298.9448 -162081.9967 -109693.7963 298.8393 -201.8240 -172.3536 760427.1625 -14.3297 -14.4090 PRESSURE: 3115400 -202.378 -16.6964 114.784 -16.6957 -118.126 -64.0345 114.783 -64.0326 -233.494 GPRESSURE: 3115400 -209.873 62.6301 152.399 31.4665 -96.0808 -149.128 79.2144 22.37 -172.779 PRESSAVG: 3115400 26.2647 28.9331 56.3901 28.9331 -45.3641 10.2735 56.3901 10.2735 2.64347 GPRESSAVG: 3115400 25.4856 26.7108 55.6432 30.5787 -45.2754 8.53657 57.8406 10.2898 2.7512 TIMING: 3115400 CPU: 9845.49, 0.00312718/step Wall: 9845.49, 0.00312718/step, 1.63708 hours remaining, 237.332031 MB of memory in use. ENERGY: 3115400 4007.3181 20489.1556 14392.3100 260.3208 -203317.0312 2313.4434 0.0000 0.0000 51656.8177 -110197.6657 296.8724 -161854.4833 -109838.9978 298.1384 -184.6661 -159.5776 760450.9614 -5.4853 -5.6795 PRESSURE: 3115600 222.698 66.5025 174.555 66.5023 -271.207 -42.928 174.556 -42.9267 191.33 GPRESSURE: 3115600 219.926 78.421 214.217 -16.9965 -160.045 -28.7872 97.0869 -134.169 157.122 PRESSAVG: 3115600 20.2501 3.19286 40.1586 3.19277 -72.5355 29.1984 40.1586 29.1984 -7.39733 GPRESSAVG: 3115600 20.7019 2.60154 40.3494 3.55837 -74.1758 30.2865 38.3475 30.8003 -6.66729 TIMING: 3115600 CPU: 9846.12, 0.00312907/step Wall: 9846.12, 0.00312907/step, 1.63789 hours remaining, 237.332031 MB of memory in use. ENERGY: 3115600 3969.4897 20512.7450 14382.4516 237.4328 -203688.0015 2486.7902 0.0000 0.0000 51848.8805 -110250.2117 297.9762 -162099.0922 -109890.2968 298.2221 47.6071 72.3345 760012.8868 -19.8942 -20.0470 PRESSURE: 3115800 -311.169 137.311 22.0478 137.31 87.8113 52.9009 22.0479 52.9004 -17.6316 GPRESSURE: 3115800 -253.987 191.213 -32.2965 49.8506 97.3199 158.701 39.9271 32.111 -3.98188 PRESSAVG: 3115800 -17.4677 -27.6365 9.09008 -27.6365 11.3922 40.3036 9.09004 40.3037 9.76786 GPRESSAVG: 3115800 -17.7042 -26.3138 9.53262 -27.6467 11.7161 41.0108 8.28077 41.3836 9.43006 TIMING: 3115800 CPU: 9846.75, 0.00315408/step Wall: 9846.75, 0.00315408/step, 1.65081 hours remaining, 237.332031 MB of memory in use. ENERGY: 3115800 4012.0351 20571.8469 14429.5947 253.7820 -203999.7527 2652.0516 0.0000 0.0000 51750.6323 -110329.8102 297.4116 -162080.4425 -109976.5434 298.0282 -80.3299 -53.5497 758118.0295 1.2308 1.1473 PRESSURE: 3116000 -220.478 74.3731 -24.1654 74.3732 4.46086 82.1254 -24.1659 82.1256 287.348 GPRESSURE: 3116000 -155.582 -12.8016 -88.4091 44.2863 50.643 97.6303 -90.5207 195.36 255.833 PRESSAVG: 3116000 -25.8017 27.5609 32.9292 27.5608 -12.1693 -8.04773 32.9292 -8.04776 -10.9517 GPRESSAVG: 3116000 -24.3502 27.3354 33.4536 25.5601 -14.0643 -8.49764 33.2964 -10.2738 -11.2823 TIMING: 3116000 CPU: 9847.38, 0.00314439/step Wall: 9847.38, 0.00314439/step, 1.64556 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3116000 3990.9732 20531.9140 14308.1822 261.9822 -203522.9007 2451.6028 0.0000 0.0000 51727.0071 -110251.2393 297.2758 -161978.2464 -109890.2774 297.9877 23.7769 50.2977 760965.9487 -16.3076 -16.5656 PRESSURE: 3116200 -490.03 214.95 84.3599 214.951 28.6598 81.3678 84.3591 81.3677 35.4532 GPRESSURE: 3116200 -541.05 254.434 46.559 97.5582 53.429 46.5727 186.445 200.528 159.625 PRESSAVG: 3116200 -42.4915 6.89 17.8024 6.89003 34.149 -38.8026 17.8024 -38.8026 24.5941 GPRESSAVG: 3116200 -43.7348 5.80224 18.596 8.0382 35.9274 -37.655 17.639 -39.9606 24.5194 TIMING: 3116200 CPU: 9848.01, 0.00318084/step Wall: 9848.01, 0.00318084/step, 1.66447 hours remaining, 237.332031 MB of memory in use. ENERGY: 3116200 3981.0601 20463.3351 14425.0762 247.8743 -203238.9370 2068.3386 0.0000 0.0000 51895.3801 -110157.8726 298.2435 -162053.2527 -109802.0877 298.3795 -141.9725 -109.3321 760715.9715 5.4172 5.5706 LDB: ============= START OF LOAD BALANCING ============== 9860.41 LDB: ============== END OF LOAD BALANCING =============== 9860.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9860.42 LDB: ============= START OF LOAD BALANCING ============== 9860.73 LDB: Largest compute 7031 load 0.033753 is 17.2% of average load 0.196108 LDB: Average compute 0.004390 is 2.2% of average load 0.196108 LDB: TIME 9860.74 LOAD: AVG 0.196108 MAX 0.215361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 9860.74 LOAD: AVG 0.196108 MAX 0.215361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 9860.74 LOAD: AVG 0.196108 MAX 0.215361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 9860.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9860.74 PRESSURE: 3116400 -348.591 -81.1771 -72.5402 -81.1766 -38.0849 -97.0416 -72.5405 -97.0405 314.65 GPRESSURE: 3116400 -261.519 8.64052 -65.3714 8.21663 -39.6253 -74.733 -96.6665 -99.4015 320.173 PRESSAVG: 3116400 -8.42423 12.967 -40.8542 12.967 -35.2756 -70.078 -40.8542 -70.078 11.2424 GPRESSAVG: 3116400 -9.05869 14.2459 -40.599 13.5203 -34.7638 -71.4476 -39.0056 -68.1103 11.5722 TIMING: 3116400 CPU: 9848.66, 0.00322408/step Wall: 9848.66, 0.00322408/step, 1.68691 hours remaining, 238.671875 MB of memory in use. ENERGY: 3116400 3906.8086 20450.8659 14319.9145 245.4659 -203534.1007 2654.1696 0.0000 0.0000 51893.0281 -110063.8482 298.2299 -161956.8763 -109692.6913 297.9441 -24.0086 6.3432 762328.3760 -10.8191 -10.7501 PRESSURE: 3116600 3.63544 -97.2129 55.8549 -97.213 -129.038 -112.273 55.855 -112.273 -117.451 GPRESSURE: 3116600 106.461 -56.2028 26.0008 -23.4514 -83.2546 -73.4154 26.7729 -197.308 -192.36 PRESSAVG: 3116600 42.216 -36.1218 -8.99495 -36.1217 6.50597 31.4959 -8.99491 31.4959 9.19173 GPRESSAVG: 3116600 42.166 -37.4606 -10.7817 -35.2633 7.32 30.1079 -9.50078 29.9901 8.11025 TIMING: 3116600 CPU: 9849.29, 0.00313929/step Wall: 9849.29, 0.00313929/step, 1.64237 hours remaining, 238.875000 MB of memory in use. ENERGY: 3116600 3988.0204 20500.7161 14451.8504 248.2156 -203792.4113 2590.8101 0.0000 0.0000 51907.5248 -110105.2738 298.3133 -162012.7986 -109746.4928 297.7730 -80.9513 -56.3848 759568.2531 19.3046 19.1987 PRESSURE: 3116800 -196.523 -14.841 -84.5929 -14.8409 -181.842 -99.0276 -84.5929 -99.0275 -90.0686 GPRESSURE: 3116800 -116.783 -129.624 -115.041 15.7404 -161.135 -1.38047 5.10385 -208.361 -97.5487 PRESSAVG: 3116800 33.6642 -30.597 34.0427 -30.597 -83.8009 -40.5131 34.0426 -40.513 -7.09985 GPRESSAVG: 3116800 34.3032 -32.1265 32.8786 -30.8928 -86.4414 -39.3111 35.5168 -39.7528 -5.54869 TIMING: 3116800 CPU: 9849.91, 0.00313645/step Wall: 9849.91, 0.00313645/step, 1.64071 hours remaining, 238.875000 MB of memory in use. ENERGY: 3116800 4090.1342 20427.2697 14483.3155 269.5970 -203916.6794 2722.4962 0.0000 0.0000 51931.0443 -109992.8225 298.4484 -161923.8669 -109630.1793 298.0085 -156.1446 -125.1556 760400.3229 -19.0789 -19.2290 PRESSURE: 3117000 -106.4 -49.878 57.4498 -49.8789 50.9076 -118.578 57.4497 -118.578 121.642 GPRESSURE: 3117000 -105.325 117.952 92.2763 -81.4945 160.299 -161.367 22.7185 -63.408 116.853 PRESSAVG: 3117000 -27.9731 -3.613 -14.0755 -3.61298 29.0022 -35.588 -14.0754 -35.588 3.70821 GPRESSAVG: 3117000 -28.1878 -0.535892 -12.4973 -6.00996 30.7486 -35.3205 -16.3504 -36.0616 2.66302 TIMING: 3117000 CPU: 9850.54, 0.00315084/step Wall: 9850.54, 0.00315084/step, 1.64807 hours remaining, 238.875000 MB of memory in use. ENERGY: 3117000 3951.3894 20466.1285 14448.1332 256.1554 -203644.7799 2630.3242 0.0000 0.0000 51771.1194 -110121.5298 297.5293 -161892.6491 -109755.7067 298.1099 22.0498 57.2757 760898.8145 1.5791 1.7413 PRESSURE: 3117200 78.8651 -144.433 -210.309 -144.433 -139.944 -195.679 -210.309 -195.679 98.2673 GPRESSURE: 3117200 -44.8771 -158.54 -256.267 -69.1652 1.34999 -176.495 -149.689 -134.906 139.378 PRESSAVG: 3117200 -22.0186 -9.82946 15.7415 -9.82944 23.2612 -5.97305 15.7414 -5.97303 36.4686 GPRESSAVG: 3117200 -21.7877 -10.297 16.5051 -6.11696 22.6087 -6.40049 17.5375 -4.72111 36.7761 TIMING: 3117200 CPU: 9851.17, 0.00314461/step Wall: 9851.17, 0.00314461/step, 1.64463 hours remaining, 238.875000 MB of memory in use. ENERGY: 3117200 3998.8680 20421.3344 14361.9091 247.9883 -203887.4247 2685.8267 0.0000 0.0000 51956.6200 -110214.8781 298.5954 -162171.4981 -109854.0185 298.0859 12.3962 31.9503 762337.3469 12.5704 12.5323 PRESSURE: 3117400 -140.537 80.2112 -86.0717 80.2101 -240.594 -102.156 -86.0719 -102.156 44.8383 GPRESSURE: 3117400 -101.701 -61.0012 -69.2169 108.057 -175.713 -17.2866 -16.5381 -55.6935 23.0522 PRESSAVG: 3117400 -29.7881 0.914274 -59.7536 0.914293 18.5873 -17.5435 -59.7536 -17.5434 2.51982 GPRESSAVG: 3117400 -32.2521 1.50984 -59.1138 -1.63996 21.0774 -16.5102 -58.5085 -19.5508 2.34784 TIMING: 3117400 CPU: 9851.8, 0.00314516/step Wall: 9851.8, 0.00314516/step, 1.64475 hours remaining, 238.875000 MB of memory in use. ENERGY: 3117400 3945.4747 20424.4642 14428.0661 257.7021 -204104.2515 2849.6676 0.0000 0.0000 51951.6289 -110247.2480 298.5667 -162198.8769 -109882.3985 297.7325 -112.0974 -84.7873 762853.0924 -2.8936 -2.9423 PRESSURE: 3117600 -82.5673 91.2308 157.734 91.2304 -100.755 169.385 157.733 169.385 428.65 GPRESSURE: 3117600 58.8552 151.893 161.866 41.7855 -41.1371 96.2006 3.20133 103.021 320.101 PRESSAVG: 3117600 -10.64 26.3521 -18.5305 26.3521 34.57 26.8218 -18.5304 26.8219 23.8213 GPRESSAVG: 3117600 -8.45902 24.9003 -17.981 26.0229 33.0359 25.8763 -22.7201 28.288 23.5526 TIMING: 3117600 CPU: 9852.43, 0.00314017/step Wall: 9852.43, 0.00314017/step, 1.64196 hours remaining, 238.875000 MB of memory in use. ENERGY: 3117600 4018.6072 20560.9764 14454.7606 229.4100 -203768.7164 2630.6906 0.0000 0.0000 51693.4674 -110180.8043 297.0831 -161874.2716 -109833.3820 297.6560 81.7760 112.6063 759823.7059 15.9171 16.0432 PRESSURE: 3117800 -178.581 -125.393 -253.432 -125.393 34.1216 70.9143 -253.433 70.9148 308.516 GPRESSURE: 3117800 -189.147 -115.028 -119.208 -91.8149 56.0544 119.477 -193.321 84.7795 383.915 PRESSAVG: 3117800 -18.5209 -19.1742 -20.8854 -19.1743 10.4026 36.1981 -20.8854 36.1982 -1.16401 GPRESSAVG: 3117800 -19.1248 -17.9973 -22.5292 -17.665 9.45199 36.2015 -17.2031 38.4532 0.0678897 TIMING: 3117800 CPU: 9853.06, 0.00315375/step Wall: 9853.06, 0.00315375/step, 1.64888 hours remaining, 238.875000 MB of memory in use. ENERGY: 3117800 3983.8600 20446.2885 14348.0485 238.8770 -203494.0080 2569.7091 0.0000 0.0000 51718.0922 -110189.1328 297.2246 -161907.2249 -109845.9954 297.9595 54.6854 83.6074 760535.2118 -3.0941 -3.2017 PRESSURE: 3118000 -187.439 250.591 -37.2067 250.593 123.655 15.3876 -37.2067 15.3868 61.1498 GPRESSURE: 3118000 -156.67 155.49 8.2828 240.096 171.883 53.4085 110.799 90.9928 60.0309 PRESSAVG: 3118000 -21.9924 31.2449 48.1398 31.2448 21.7543 -12.0399 48.1398 -12.0398 -23.0431 GPRESSAVG: 3118000 -22.4845 30.1821 46.2252 29.6683 23.1312 -10.6902 47.0985 -13.7258 -23.8826 TIMING: 3118000 CPU: 9853.69, 0.00314957/step Wall: 9853.69, 0.00314957/step, 1.64653 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3118000 3921.0068 20551.5080 14362.0304 263.5078 -203928.6334 2812.9014 0.0000 0.0000 51887.9226 -110129.7564 298.2006 -162017.6790 -109781.9796 298.0249 -0.8781 25.0815 761086.0002 -7.7604 -7.7453 PRESSURE: 3118200 216.291 30.8373 129.015 30.837 128.322 -182.955 129.015 -182.956 60.7345 GPRESSURE: 3118200 135.927 0.770805 68.9134 18.5148 207.143 -145.537 95.2539 -233.109 160.955 PRESSAVG: 3118200 -18.9175 -20.5729 -30.1369 -20.573 24.1337 -4.76375 -30.1368 -4.76375 18.0687 GPRESSAVG: 3118200 -18.8973 -19.5159 -28.9544 -20.8753 21.9433 -5.36267 -30.1563 -4.51415 20.3194 TIMING: 3118200 CPU: 9854.32, 0.00314595/step Wall: 9854.32, 0.00314595/step, 1.64446 hours remaining, 238.875000 MB of memory in use. ENERGY: 3118200 3954.6419 20436.9748 14369.6904 230.1590 -203768.8573 2720.8076 0.0000 0.0000 51785.6451 -110270.9384 297.6128 -162056.5836 -109913.3933 297.9637 135.1158 168.0083 760485.5997 7.7616 7.7884 PRESSURE: 3118400 -266.239 85.6118 106.778 85.612 -37.364 6.26679 106.778 6.26603 111.326 GPRESSURE: 3118400 -249.339 89.6733 88.4595 -1.36716 -27.1612 -28.7504 52.4085 -20.7612 173.239 PRESSAVG: 3118400 -61.024 8.80779 -15.2407 8.80774 50.4028 -11.6039 -15.2407 -11.6039 -19.4871 GPRESSAVG: 3118400 -61.288 7.6047 -14.3084 11.5714 51.9229 -12.9465 -17.1822 -11.2172 -20.766 TIMING: 3118400 CPU: 9854.95, 0.00314226/step Wall: 9854.95, 0.00314226/step, 1.64235 hours remaining, 238.875000 MB of memory in use. ENERGY: 3118400 3956.4167 20616.2255 14385.1772 252.1454 -203624.5395 2539.3643 0.0000 0.0000 51881.6351 -109993.5753 298.1645 -161875.2104 -109639.3834 297.7609 -64.0924 -34.4205 761550.2747 -10.0361 -10.0437 PRESSURE: 3118600 -204.253 21.302 83.2931 21.3023 358.406 -172.02 83.293 -172.02 8.99569 GPRESSURE: 3118600 -56.2615 -31.7016 115.219 104.82 215.833 -136.657 169.267 -59.776 94.0232 PRESSAVG: 3118600 -39.1695 1.66909 -20.5506 1.66909 64.7238 -13.5146 -20.5505 -13.5147 -14.8733 GPRESSAVG: 3118600 -38.2504 2.99403 -19.5045 -1.46673 64.3657 -11.7537 -18.8453 -15.5217 -15.1896 TIMING: 3118600 CPU: 9855.58, 0.00315409/step Wall: 9855.58, 0.00315409/step, 1.64836 hours remaining, 238.875000 MB of memory in use. ENERGY: 3118600 3988.6314 20621.6536 14434.2436 242.8968 -203841.9543 2724.5852 0.0000 0.0000 51924.3929 -109905.5509 298.4102 -161829.9437 -109551.1557 298.2207 54.3831 84.5317 761255.7962 3.5603 3.6419 PRESSURE: 3118800 -156.712 124.962 35.5829 124.963 -188.134 65.5431 35.5829 65.5428 -203.268 GPRESSURE: 3118800 -259.604 202.91 85.0763 -3.82598 -32.0766 92.7832 -46.1888 60.1711 -157.212 PRESSAVG: 3118800 -50.0164 21.3694 1.06687 21.3693 13.4113 -37.0274 1.06693 -37.0275 -17.0256 GPRESSAVG: 3118800 -50.7245 20.3069 -1.39763 22.6318 13.5613 -38.4133 1.52351 -37.6407 -16.666 TIMING: 3118800 CPU: 9856.21, 0.00315671/step Wall: 9856.21, 0.00315671/step, 1.64955 hours remaining, 238.875000 MB of memory in use. ENERGY: 3118800 4027.9756 20353.8261 14464.5597 249.0780 -203506.1380 2510.0736 0.0000 0.0000 51984.8493 -109915.7757 298.7576 -161900.6250 -109544.7377 298.2447 -182.7047 -149.6308 762934.6013 -17.8769 -17.9431 PRESSURE: 3119000 -242.702 -149.311 -114.199 -149.312 60.6495 9.64394 -114.199 9.64295 228.618 GPRESSURE: 3119000 -122.864 -79.4663 -119.966 -51.8558 59.7669 40.2861 -71.7664 3.66222 200.596 PRESSAVG: 3119000 -40.4225 -59.444 -14.1374 -59.444 10.0002 -7.43417 -14.1374 -7.43413 -3.15016 GPRESSAVG: 3119000 -40.5561 -59.3968 -12.4211 -57.1518 10.3493 -6.16153 -15.3014 -7.29084 -3.51103 TIMING: 3119000 CPU: 9856.84, 0.00316514/step Wall: 9856.84, 0.00316514/step, 1.65378 hours remaining, 238.875000 MB of memory in use. ENERGY: 3119000 4023.0421 20434.5682 14383.0693 241.1967 -203522.7189 2836.3789 0.0000 0.0000 51923.5188 -109680.9447 298.4052 -161604.4635 -109323.2477 298.1392 15.5217 45.8329 761200.7104 -11.1908 -11.2393 PRESSURE: 3119200 117.197 25.0466 73.8736 25.046 -29.6447 344.505 73.8737 344.505 344.86 GPRESSURE: 3119200 182.569 117.576 59.7986 106.559 52.5589 381.282 138.942 430.563 291.113 PRESSAVG: 3119200 54.7546 -68.8797 -9.56387 -68.8798 -32.9197 -3.569 -9.56387 -3.56901 -1.74172 GPRESSAVG: 3119200 54.9165 -69.1341 -10.3847 -70.9531 -32.9823 -3.53532 -10.5899 -1.70647 -1.5678 TIMING: 3119200 CPU: 9857.48, 0.003153/step Wall: 9857.48, 0.003153/step, 1.64727 hours remaining, 238.875000 MB of memory in use. ENERGY: 3119200 3938.7340 20574.3777 14485.9275 231.1512 -203203.9474 2461.8539 0.0000 0.0000 51964.3028 -109547.6003 298.6396 -161511.9031 -109179.8447 299.0724 144.1374 175.4136 759621.1155 6.6978 6.7888 PRESSURE: 3119400 -446.91 11.8707 -304.711 11.8712 144.405 158.016 -304.711 158.017 530.787 GPRESSURE: 3119400 -248.824 39.877 -177.746 19.4252 84.2582 172.09 -227.79 168.921 471.736 PRESSAVG: 3119400 -41.7602 -4.26007 -54.5003 -4.26002 50.655 56.6966 -54.5003 56.6965 -2.1154 GPRESSAVG: 3119400 -41.7079 -4.27497 -52.4562 -3.05355 51.0597 56.8176 -54.3205 57.4339 -2.79846 TIMING: 3119400 CPU: 9858.11, 0.00316408/step Wall: 9858.11, 0.00316408/step, 1.65288 hours remaining, 238.875000 MB of memory in use. ENERGY: 3119400 3961.7740 20552.7239 14445.4324 264.5858 -203628.3277 2510.4450 0.0000 0.0000 52177.2044 -109716.1623 299.8631 -161893.3666 -109356.9579 299.4305 76.0938 102.3902 760226.0832 2.2598 2.1844 PRESSURE: 3119600 -104.267 20.5021 -55.5181 20.5028 107.95 147.966 -55.519 147.966 -106.665 GPRESSURE: 3119600 -6.39267 -54.0457 -85.9366 -17.856 33.0476 173.244 -204.548 210.784 -39.1182 PRESSAVG: 3119600 -40.6141 -21.9624 40.208 -21.9623 -17.0014 25.1471 40.208 25.1471 19.1483 GPRESSAVG: 3119600 -40.9143 -20.8935 38.8333 -23.1161 -17.975 27.1379 40.2161 23.0214 20.5891 TIMING: 3119600 CPU: 9858.74, 0.00315122/step Wall: 9858.74, 0.00315122/step, 1.64599 hours remaining, 238.875000 MB of memory in use. ENERGY: 3119600 3964.4433 20469.3675 14391.1767 260.3478 -203297.8995 2653.0669 0.0000 0.0000 51939.3853 -109620.1120 298.4964 -161559.4973 -109265.0450 298.8191 -34.3273 -4.1544 761827.8224 -12.8224 -12.7667 PRESSURE: 3119800 -80.6669 -83.0546 29.71 -83.0549 118.242 -216.821 29.7101 -216.823 -17.003 GPRESSURE: 3119800 -70.5324 -87.1723 10.4676 8.88109 140.006 -229.536 107.465 -81.9245 37.9709 PRESSAVG: 3119800 -58.8873 -10.7379 -12.2526 -10.7379 54.3273 -27.6403 -12.2526 -27.6404 14.7653 GPRESSAVG: 3119800 -59.9817 -9.82656 -13.1867 -10.7541 55.4744 -28.9439 -10.458 -26.0756 14.3954 TIMING: 3119800 CPU: 9859.37, 0.00316162/step Wall: 9859.37, 0.00316162/step, 1.65124 hours remaining, 238.875000 MB of memory in use. ENERGY: 3119800 3985.6315 20548.4107 14483.2869 257.4605 -203792.2032 2816.2383 0.0000 0.0000 51951.7325 -109749.4428 298.5673 -161701.1753 -109385.8294 298.6944 6.8574 35.8149 761229.8351 3.4018 3.2960 PRESSURE: 3120000 -220.432 -94.7123 46.9692 -94.7119 -216.738 -188.859 46.9698 -188.859 -177.704 GPRESSURE: 3120000 -205.674 -11.7864 -29.4963 -24.0663 -160.303 -170.664 1.68371 -88.0653 -165.94 PRESSAVG: 3120000 -26.821 -14.9345 15.8931 -14.9345 61.1758 5.70998 15.8931 5.70989 -0.892662 GPRESSAVG: 3120000 -26.7618 -16.3793 17.0341 -13.2618 60.8962 7.29782 14.6185 4.39307 -1.01556 TIMING: 3120000 CPU: 9860, 0.00316021/step Wall: 9860, 0.00316021/step, 1.65033 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3120000 4002.0649 20490.1676 14548.5867 251.9938 -203424.5711 2419.3510 0.0000 0.0000 51951.2421 -109761.1650 298.5645 -161712.4071 -109396.0464 298.8397 -204.9577 -177.3057 761372.4871 11.1541 11.0396 PRESSURE: 3120200 -384.938 113.23 -240.168 113.23 -456.436 76.9513 -240.168 76.9514 -501.356 GPRESSURE: 3120200 -399.701 11.7328 -187.807 186.237 -358.945 90.3882 -273.697 45.8076 -502.109 PRESSAVG: 3120200 -20.11 8.09011 -63.5323 8.09008 -3.38871 -16.6058 -63.5323 -16.6059 3.86304 GPRESSAVG: 3120200 -19.1413 10.0186 -63.0542 5.81945 -3.53505 -18.8108 -62.2239 -15.0324 2.76805 TIMING: 3120200 CPU: 9860.63, 0.00315277/step Wall: 9860.63, 0.00315277/step, 1.64627 hours remaining, 238.875000 MB of memory in use. ENERGY: 3120200 3999.6261 20457.8856 14454.1620 223.0633 -203231.5193 2212.4666 0.0000 0.0000 51916.5177 -109967.7981 298.3649 -161884.3158 -109606.2359 298.3447 -447.5764 -420.2517 762827.8222 -6.5452 -6.6361 LDB: ============= START OF LOAD BALANCING ============== 9873.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9873.03 LDB: =============== DONE WITH MIGRATION ================ 9873.03 LDB: ============= START OF LOAD BALANCING ============== 9873.35 LDB: Largest compute 7031 load 0.032262 is 16.5% of average load 0.196077 LDB: Average compute 0.004375 is 2.2% of average load 0.196077 LDB: TIME 9873.36 LOAD: AVG 0.196077 MAX 0.215212 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 9873.36 LOAD: AVG 0.196077 MAX 0.215212 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 9873.36 LOAD: AVG 0.196077 MAX 0.215212 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9873.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9873.36 PRESSURE: 3120400 237.861 96.1215 -139.914 96.1213 -91.1016 -159.472 -139.914 -159.473 285.011 GPRESSURE: 3120400 341.155 146.619 -176.785 77.7923 -117.636 -83.605 -37.3077 -195.177 259.841 PRESSAVG: 3120400 -41.6513 22.3742 -3.70502 22.3743 15.1813 -33.0609 -3.70493 -33.061 29.0215 GPRESSAVG: 3120400 -41.3913 21.9906 -5.38774 22.7981 16.5497 -32.7727 -2.39516 -33.5153 27.5561 TIMING: 3120400 CPU: 9861.28, 0.00323799/step Wall: 9861.28, 0.00323799/step, 1.69059 hours remaining, 237.843750 MB of memory in use. ENERGY: 3120400 3968.2654 20362.7600 14431.8755 246.0702 -204067.6501 3040.0640 0.0000 0.0000 52043.9585 -109974.6566 299.0973 -162018.6151 -109613.5935 297.9683 143.9237 161.1202 762258.2124 0.8505 0.9048 PRESSURE: 3120600 244.294 165.569 76.7385 165.57 58.7651 -185.604 76.7392 -185.603 -127.999 GPRESSURE: 3120600 252.843 65.8979 104.9 181.486 48.6504 -218.824 -29.2654 -177.508 -66.897 PRESSAVG: 3120600 -27.5601 -5.68658 -43.1245 -5.6866 41.4292 31.5603 -43.1245 31.5602 9.28481 GPRESSAVG: 3120600 -28.9063 -6.63913 -42.3083 -4.61223 40.3197 31.0147 -44.2644 30.7861 11.607 TIMING: 3120600 CPU: 9861.92, 0.00317846/step Wall: 9861.92, 0.00317846/step, 1.65933 hours remaining, 237.843750 MB of memory in use. ENERGY: 3120600 4028.8540 20565.1020 14441.1722 240.8186 -203830.9024 2864.4171 0.0000 0.0000 51825.2190 -109865.3196 297.8402 -161690.5386 -109509.9758 298.4609 58.3536 78.1989 761894.7606 7.7180 7.6735 PRESSURE: 3120800 -48.8927 268.155 8.10716 268.155 133.311 113.095 8.10708 113.095 92.8321 GPRESSURE: 3120800 2.85497 139.555 -8.58915 200.393 160.575 -16.4607 -65.4664 146.814 110.082 PRESSAVG: 3120800 -20.2453 -10.8373 -45.375 -10.8373 3.10599 43.93 -45.375 43.93 -27.598 GPRESSAVG: 3120800 -18.7786 -12.0758 -45.6652 -9.76977 2.42742 45.4056 -46.4163 41.9537 -28.096 TIMING: 3120800 CPU: 9862.55, 0.00315745/step Wall: 9862.55, 0.00315745/step, 1.64819 hours remaining, 237.843750 MB of memory in use. ENERGY: 3120800 3982.9732 20603.9724 14416.4143 259.4740 -203731.7978 2839.0494 0.0000 0.0000 52032.9980 -109596.9165 299.0344 -161629.9145 -109227.9025 298.7647 59.0833 91.1707 763027.8692 -14.9124 -14.8157 PRESSURE: 3121000 8.0302 59.1977 -222.03 59.1982 -122.273 10.9049 -222.03 10.9045 158.434 GPRESSURE: 3121000 25.9839 4.67604 -200.15 175.657 -88.4965 -0.634245 -317.49 -105.892 196.232 PRESSAVG: 3121000 -70.1734 2.18036 -71.6687 2.18033 40.25 12.7606 -71.6686 12.7607 30.6094 GPRESSAVG: 3121000 -69.0748 2.87521 -72.2345 1.85024 40.5113 10.9267 -71.7742 14.1516 29.383 TIMING: 3121000 CPU: 9863.18, 0.00316176/step Wall: 9863.18, 0.00316176/step, 1.65026 hours remaining, 237.843750 MB of memory in use. ENERGY: 3121000 3959.4692 20582.2143 14432.4683 246.3923 -203430.9940 2686.1841 0.0000 0.0000 52097.4297 -109426.8362 299.4046 -161524.2659 -109057.6112 298.9769 14.7302 44.5731 761860.9489 0.2287 0.2732 PRESSURE: 3121200 -374.424 98.8506 201.671 98.8502 -17.4146 -254.771 201.672 -254.77 -444.044 GPRESSURE: 3121200 -441.642 161.444 141.028 66.5092 44.7067 -205.945 316.713 -156.052 -366.29 PRESSAVG: 3121200 -22.1904 12.6198 0.885458 12.6197 0.85296 0.555564 0.88538 0.555546 -22.2508 GPRESSAVG: 3121200 -22.9118 15.0945 0.66594 11.0456 -0.366428 1.09533 1.0476 2.4943 -20.2159 TIMING: 3121200 CPU: 9863.82, 0.00317923/step Wall: 9863.82, 0.00317923/step, 1.65921 hours remaining, 237.843750 MB of memory in use. ENERGY: 3121200 4061.1832 20626.9718 14479.3731 250.0920 -203253.7810 2406.3098 0.0000 0.0000 52244.5427 -109185.3084 300.2501 -161429.8511 -108824.0285 299.4480 -278.6277 -254.4086 764227.5706 -14.5294 -14.4980 PRESSURE: 3121400 356.303 77.6508 17.3206 77.6501 56.9313 150.563 17.3218 150.565 306.627 GPRESSURE: 3121400 428.541 53.9026 10.7924 173.16 106.287 228.55 -87.3535 211.238 266.087 PRESSAVG: 3121400 46.2637 41.4673 48.4447 41.4673 0.912079 11.6152 48.4447 11.6153 -9.2961 GPRESSAVG: 3121400 45.8257 41.8958 49.0692 42.1245 2.64482 12.4186 46.9566 10.7134 -10.511 TIMING: 3121400 CPU: 9864.45, 0.00317107/step Wall: 9864.45, 0.00317107/step, 1.65477 hours remaining, 237.843750 MB of memory in use. ENERGY: 3121400 4061.4498 20567.1172 14490.2590 255.9735 -203582.6553 2810.9236 0.0000 0.0000 52421.9231 -108975.0092 301.2695 -161396.9323 -108609.1884 300.4581 239.9538 266.9714 761870.6563 12.6265 12.6532 PRESSURE: 3121600 -196.271 40.9043 -247.506 40.9047 -278.353 230.838 -247.506 230.838 -245.346 GPRESSURE: 3121600 -222.907 118.875 -250.496 32.6302 -206.685 255.327 -143.994 187.546 -186.134 PRESSAVG: 3121600 -43.2745 -2.21343 -13.6751 -2.21349 49.3698 -35.3181 -13.6751 -35.3182 6.25115 GPRESSAVG: 3121600 -42.9408 -2.58709 -13.401 -2.27019 48.6379 -36.9723 -11.9187 -35.2351 7.4321 TIMING: 3121600 CPU: 9865.08, 0.00316697/step Wall: 9865.08, 0.00316697/step, 1.65245 hours remaining, 237.843750 MB of memory in use. ENERGY: 3121600 4063.2289 20754.1694 14438.5118 236.6564 -202685.0053 2246.8715 0.0000 0.0000 51906.3448 -109039.2225 298.3065 -160945.5673 -108676.8475 299.9712 -239.9899 -205.2422 763285.7730 4.1155 4.3764 PRESSURE: 3121800 -346.123 8.38421 147.511 8.38439 236.783 32.6533 147.51 32.6523 114.021 GPRESSURE: 3121800 -229.211 -78.4708 118.215 62.8629 238.408 111.568 132.985 -102.828 88.5253 PRESSAVG: 3121800 -18.0961 -52.6465 -11.4508 -52.6466 -4.91121 12.9952 -11.4509 12.9952 2.27377 GPRESSAVG: 3121800 -18.8428 -53.5653 -10.7992 -51.5281 -3.52333 14.9545 -13.481 11.268 1.77111 TIMING: 3121800 CPU: 9865.71, 0.00315158/step Wall: 9865.71, 0.00315158/step, 1.64425 hours remaining, 237.843750 MB of memory in use. ENERGY: 3121800 3986.1633 20684.9704 14468.2125 249.8258 -203432.5153 2791.2419 0.0000 0.0000 52009.5815 -109242.5200 298.8998 -161252.1015 -108889.0718 300.0911 1.5603 32.5741 760479.5694 -6.9112 -6.8650 PRESSURE: 3122000 -19.3255 -323.393 -125.641 -323.392 -25.9082 -23.7422 -125.642 -23.7432 214.655 GPRESSURE: 3122000 96.3734 -290.219 -92.9835 -290.644 18.2343 -41.6615 -191.924 -62.2618 124.271 PRESSAVG: 3122000 -36.2278 11.4767 4.73584 11.4767 64.8753 -18.5793 4.73585 -18.5793 3.95677 GPRESSAVG: 3122000 -35.0944 10.1665 4.88393 12.0852 65.0663 -19.928 6.69005 -17.0194 3.30314 TIMING: 3122000 CPU: 9866.34, 0.00314074/step Wall: 9866.34, 0.00314074/step, 1.63842 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3122000 3971.1332 20450.8253 14528.6373 262.8554 -203866.5599 2868.1499 0.0000 0.0000 52382.6358 -109402.3230 301.0437 -161784.9588 -109032.0541 299.8952 56.4737 79.6262 761087.6414 10.8681 11.0917 PRESSURE: 3122200 378.054 -76.9166 -343.564 -76.9161 134.77 -253.898 -343.563 -253.898 653.269 GPRESSURE: 3122200 364.891 -119.541 -319.817 -128.092 217.087 -245.035 -311.214 -165.789 654.62 PRESSAVG: 3122200 -14.3746 -28.9028 -66.9528 -28.9027 52.2584 34.1217 -66.9528 34.1217 6.08685 GPRESSAVG: 3122200 -14.9621 -26.7762 -67.3098 -30.9838 50.809 34.9754 -67.9716 34.1973 7.40825 TIMING: 3122200 CPU: 9866.97, 0.00315567/step Wall: 9866.97, 0.00315567/step, 1.64603 hours remaining, 237.843750 MB of memory in use. ENERGY: 3122200 4013.5364 20671.8053 14431.9873 239.6815 -203476.1510 2617.1419 0.0000 0.0000 52162.8277 -109339.1709 299.7805 -161501.9986 -108977.6813 299.3407 388.6976 412.1993 760412.7107 14.6569 14.4184 PRESSURE: 3122400 -4.56654 104.472 259.535 104.472 66.4388 175.644 259.535 175.643 -17.8332 GPRESSURE: 3122400 -6.94383 110.072 202.465 -14.1187 77.848 116.934 257.359 172.872 54.9165 PRESSAVG: 3122400 -12.5089 -8.16243 -4.70959 -8.16247 -10.8748 38.4372 -4.70959 38.4372 -18.8379 GPRESSAVG: 3122400 -12.4275 -8.41888 -5.4022 -6.93965 -10.5628 37.0036 -5.34774 38.0834 -19.4409 TIMING: 3122400 CPU: 9867.61, 0.00317346/step Wall: 9867.61, 0.00317346/step, 1.65514 hours remaining, 237.843750 MB of memory in use. ENERGY: 3122400 3980.1640 20437.4073 14427.8102 246.3714 -203609.5049 2711.2425 0.0000 0.0000 52382.6932 -109423.8162 301.0441 -161806.5095 -109060.5458 299.7988 14.6797 41.9402 762043.4945 -14.0739 -14.1437 PRESSURE: 3122600 -383.77 61.8418 -16.8932 61.841 21.7727 83.0036 -16.8937 83.0038 -235.397 GPRESSURE: 3122600 -305.265 -24.0494 -24.1829 -112.371 67.6249 30.4558 -53.5545 3.47518 -276.468 PRESSAVG: 3122600 -25.6929 1.03741 -8.17521 1.03743 45.1227 -6.66408 -8.1752 -6.66405 15.1025 GPRESSAVG: 3122600 -26.1017 0.194944 -7.67697 -0.678486 46.4717 -6.79257 -7.24496 -6.74892 14.5107 TIMING: 3122600 CPU: 9868.24, 0.00317664/step Wall: 9868.24, 0.00317664/step, 1.65662 hours remaining, 237.843750 MB of memory in use. ENERGY: 3122600 4031.5292 20447.6586 14478.1725 238.3445 -202901.7435 2176.1103 0.0000 0.0000 52012.5258 -109517.4027 298.9167 -161529.9285 -109141.9514 299.0759 -199.1315 -171.3695 762049.2701 11.5108 11.6269 PRESSURE: 3122800 -61.6617 26.9363 -238.149 26.9362 -164.197 96.8955 -238.148 96.8952 -166.042 GPRESSURE: 3122800 37.9892 61.7208 -339.028 10.931 -182.899 77.4481 -204.124 53.6895 -159.095 PRESSAVG: 3122800 -9.00124 -29.131 -40.1478 -29.131 -15.8137 22.5435 -40.1478 22.5435 -12.4508 GPRESSAVG: 3122800 -8.41252 -27.3218 -39.1492 -28.9608 -17.1429 22.9289 -39.9471 21.2712 -12.61 TIMING: 3122800 CPU: 9868.88, 0.00317634/step Wall: 9868.88, 0.00317634/step, 1.65629 hours remaining, 237.843750 MB of memory in use. ENERGY: 3122800 3897.4073 20654.1229 14441.0830 242.7617 -203304.1340 2398.2649 0.0000 0.0000 52279.3526 -109391.1415 300.4502 -161670.4941 -109036.7239 299.7352 -130.6335 -101.3349 759659.1285 -12.4219 -12.7218 PRESSURE: 3123000 228.727 -109.548 102.475 -109.549 63.3779 -155.478 102.475 -155.479 -66.8131 GPRESSURE: 3123000 254.287 -48.2452 88.2225 -106 79.6308 -122.434 111.877 -69.7752 -31.2843 PRESSAVG: 3123000 -4.68815 10.3497 -49.0149 10.3496 32.0983 8.8167 -49.0149 8.81665 13.7175 GPRESSAVG: 3123000 -5.05115 8.80587 -47.5188 11.1937 31.507 8.64525 -48.8273 11.7017 15.2782 TIMING: 3123000 CPU: 9869.51, 0.00315507/step Wall: 9869.51, 0.00315507/step, 1.64502 hours remaining, 237.843750 MB of memory in use. ENERGY: 3123000 3934.5760 20616.9402 14383.7584 261.5012 -203318.9719 2507.8199 0.0000 0.0000 52338.0015 -109276.3745 300.7872 -161614.3761 -108916.1504 300.0331 75.0974 100.8778 759541.3805 13.7092 13.9114 PRESSURE: 3123200 -175.271 13.8655 -35.8766 13.8654 206.455 20.4193 -35.8764 20.419 -151.493 GPRESSURE: 3123200 -70.5198 -19.14 -43.049 -1.69596 210.418 27.3334 -76.2384 -21.2434 -175.446 PRESSAVG: 3123200 22.9534 -30.8582 -44.0363 -30.8582 35.732 48.3674 -44.0363 48.3674 -22.81 GPRESSAVG: 3123200 24.0898 -33.3793 -46.0239 -29.1397 35.8124 47.6994 -45.5452 46.4835 -24.0465 TIMING: 3123200 CPU: 9870.14, 0.00317449/step Wall: 9870.14, 0.00317449/step, 1.65497 hours remaining, 237.843750 MB of memory in use. ENERGY: 3123200 3937.6764 20475.0102 14450.8927 235.5016 -202957.2427 2411.7318 0.0000 0.0000 52084.2070 -109362.2231 299.3287 -161446.4301 -108996.8183 299.8722 -40.1032 -11.8494 761013.8608 11.9584 11.9519 PRESSURE: 3123400 -330.017 72.6209 144.49 72.6201 -338.532 159.782 144.49 159.782 54.3112 GPRESSURE: 3123400 -256.024 33.8972 160.87 27.1319 -312.438 109.858 158.817 213.785 57.808 PRESSAVG: 3123400 -31.9928 -18.9367 -26.1693 -18.9367 4.72616 36.27 -26.1693 36.27 15.8258 GPRESSAVG: 3123400 -32.5567 -16.5375 -25.8727 -17.8858 6.28705 36.8831 -25.099 38.3441 15.0851 TIMING: 3123400 CPU: 9870.78, 0.00315401/step Wall: 9870.78, 0.00315401/step, 1.64412 hours remaining, 237.843750 MB of memory in use. ENERGY: 3123400 4018.6270 20436.8260 14418.3256 243.5733 -202922.0417 2211.7617 0.0000 0.0000 52175.9064 -109417.0217 299.8557 -161592.9281 -109051.7229 299.2890 -204.7458 -170.2178 761152.9250 -3.8136 -3.7282 PRESSURE: 3123600 -280.122 -110.89 136.005 -110.889 -458.311 -71.9129 136.005 -71.9139 -235.553 GPRESSURE: 3123600 -264.042 -112.917 129.772 12.8046 -452.431 -96.6343 106.579 -146.214 -154.122 PRESSAVG: 3123600 23.5021 24.6083 4.2337 24.6083 -2.94244 3.44908 4.23372 3.44903 13.4047 GPRESSAVG: 3123600 22.2214 23.1421 3.94247 24.4383 -3.46906 4.91659 4.09519 2.59297 15.6504 TIMING: 3123600 CPU: 9871.4, 0.00314558/step Wall: 9871.4, 0.00314558/step, 1.63954 hours remaining, 237.843750 MB of memory in use. ENERGY: 3123600 4047.2371 20544.3242 14475.6698 242.7110 -203019.0376 2132.6328 0.0000 0.0000 52156.9159 -109419.5467 299.7465 -161576.4626 -109051.7430 299.6049 -324.6620 -290.1987 760421.9091 11.3215 11.4676 PRESSURE: 3123800 -170.413 22.7881 -157.105 22.7874 87.1219 12.8371 -157.106 12.8353 -640.957 GPRESSURE: 3123800 -217.304 39.0808 -105.881 73.9894 194.139 32.2957 -39.7013 -26.5298 -630.958 PRESSAVG: 3123800 -6.57044 -84.5758 -67.9878 -84.5758 2.97269 -14.3511 -67.9878 -14.3512 -19.8311 GPRESSAVG: 3123800 -5.82327 -83.9143 -67.792 -86.6393 2.16699 -15.8246 -68.0267 -15.2486 -20.178 TIMING: 3123800 CPU: 9872.04, 0.00317681/step Wall: 9872.04, 0.00317681/step, 1.65565 hours remaining, 237.843750 MB of memory in use. ENERGY: 3123800 4088.7319 20625.4905 14396.3967 248.8781 -203141.4445 2435.9224 0.0000 0.0000 52202.0925 -109143.9326 300.0061 -161346.0251 -108791.1239 299.8589 -241.4161 -218.0409 761380.4364 -7.8096 -7.9448 PRESSURE: 3124000 161.782 -60.0672 -52.2304 -60.0682 115.976 46.9414 -52.2307 46.9428 -321.443 GPRESSURE: 3124000 109.895 -64.7243 91.8586 9.86086 147.368 57.1349 23.2571 33.6529 -214.122 PRESSAVG: 3124000 50.1505 -58.5653 -14.7085 -58.5654 4.32704 0.0850571 -14.7085 0.0849712 -14.9859 GPRESSAVG: 3124000 49.6126 -56.9813 -13.8891 -56.6056 5.3655 -0.135229 -14.7469 0.445706 -15.6676 TIMING: 3124000 CPU: 9872.67, 0.00317421/step Wall: 9872.67, 0.00317421/step, 1.65412 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3124000 4020.4163 20551.6345 14441.6331 228.8404 -203844.4144 3041.2047 0.0000 0.0000 52283.1550 -109277.5304 300.4720 -161560.6854 -108909.6565 299.6285 -14.5616 14.3802 759865.9513 13.1639 13.1035 PRESSURE: 3124200 -99.2362 281.674 66.0639 281.675 50.6162 94.8708 66.064 94.8703 -200.194 GPRESSURE: 3124200 32.9996 186.032 28.0564 258.887 33.0256 95.1027 -33.8444 42.4627 -223.383 PRESSAVG: 3124200 -7.75059 -8.3063 6.52075 -8.30629 30.5577 -11.8633 6.52077 -11.8633 -12.1289 GPRESSAVG: 3124200 -6.44944 -9.40509 4.88687 -10.3444 29.6279 -9.44597 6.04329 -13.0869 -12.0651 TIMING: 3124200 CPU: 9873.31, 0.00316497/step Wall: 9873.31, 0.00316497/step, 1.64913 hours remaining, 237.843750 MB of memory in use. ENERGY: 3124200 4005.0259 20498.2484 14465.2946 234.6266 -203129.2997 2457.9203 0.0000 0.0000 52150.3071 -109317.8767 299.7085 -161468.1838 -108970.1962 299.6203 -82.9381 -52.4525 761515.9866 3.5594 3.7044 LDB: ============= START OF LOAD BALANCING ============== 9885.7 LDB: ============== END OF LOAD BALANCING =============== 9885.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9885.71 LDB: ============= START OF LOAD BALANCING ============== 9886.02 LDB: Largest compute 7058 load 0.035575 is 18.1% of average load 0.196023 LDB: Average compute 0.004397 is 2.2% of average load 0.196023 LDB: TIME 9886.03 LOAD: AVG 0.196023 MAX 0.213905 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.93 MB LDB: TIME 9886.03 LOAD: AVG 0.196023 MAX 0.213905 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.996 MB LDB: TIME 9886.03 LOAD: AVG 0.196023 MAX 0.213905 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.996 MB LDB: ============== END OF LOAD BALANCING =============== 9886.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9886.04 PRESSURE: 3124400 103.017 -171.24 -89.1652 -171.241 327.967 -369.273 -89.1652 -369.274 89.7836 GPRESSURE: 3124400 148.889 -236.005 -59.8038 -108.976 312.055 -359.295 -95.1502 -334.509 145.97 PRESSAVG: 3124400 -10.4437 -23.6509 -49.6375 -23.6509 35.1727 -11.6785 -49.6374 -11.6786 -18.7368 GPRESSAVG: 3124400 -11.5462 -23.0695 -50.0499 -23.6356 36.1165 -12.8062 -47.6095 -10.4397 -18.939 TIMING: 3124400 CPU: 9873.95, 0.00322654/step Wall: 9873.95, 0.00322654/step, 1.68103 hours remaining, 238.613281 MB of memory in use. ENERGY: 3124400 4023.8041 20635.5487 14486.6575 250.5507 -203092.7121 2402.4089 0.0000 0.0000 52219.3211 -109074.4211 300.1052 -161293.7422 -108711.5846 299.4325 173.5893 202.3046 759508.9793 1.9974 1.8771 PRESSURE: 3124600 -1.1785 -6.27685 -77.9562 -6.27677 75.9865 -4.05514 -77.957 -4.0556 -324.255 GPRESSURE: 3124600 -19.8285 35.3728 -2.20991 -64.8342 171.626 -8.67646 -139.673 -66.1848 -316.745 PRESSAVG: 3124600 -58.8803 -28.5325 1.05701 -28.5325 68.5251 -4.43757 1.05703 -4.43754 -3.12824 GPRESSAVG: 3124600 -57.5996 -28.613 2.0363 -28.5256 68.222 -5.86445 0.0026605 -2.91625 -4.03352 TIMING: 3124600 CPU: 9874.59, 0.00316852/step Wall: 9874.59, 0.00316853/step, 1.65063 hours remaining, 238.613281 MB of memory in use. ENERGY: 3124600 3991.6662 20527.1441 14403.2436 253.0571 -203209.7936 2771.6017 0.0000 0.0000 52216.7798 -109046.3012 300.0906 -161263.0809 -108680.8216 300.3705 -83.1491 -54.9826 762186.3409 2.1722 2.1963 PRESSURE: 3124800 -82.4315 -86.3718 -53.3357 -86.3725 -22.6133 -48.0977 -53.3359 -48.0986 92.3281 GPRESSURE: 3124800 -108.072 -136.271 -80.3876 -10.9197 29.6745 -55.2835 -2.81638 11.4188 138.28 PRESSAVG: 3124800 -8.43674 -15.5241 2.74127 -15.5241 29.4333 -3.72864 2.7413 -3.72865 -26.8977 GPRESSAVG: 3124800 -9.95446 -15.953 2.09481 -14.0516 29.4471 -4.29232 4.98165 -6.56724 -25.509 TIMING: 3124800 CPU: 9875.22, 0.0031464/step Wall: 9875.22, 0.0031464/step, 1.63892 hours remaining, 238.613281 MB of memory in use. ENERGY: 3124800 4051.3121 20663.0971 14536.8744 239.0822 -203157.4574 2692.7066 0.0000 0.0000 52062.9735 -108911.4114 299.2066 -160974.3849 -108561.3538 300.3183 -4.2389 19.9610 761803.0753 -1.9670 -2.0055 PRESSURE: 3125000 -163.717 -114.564 -15.4415 -114.564 66.2826 -305.806 -15.4411 -305.806 -82.7362 GPRESSURE: 3125000 -156.35 23.8182 24.0573 -127.255 67.3833 -241.807 -125.867 -258.987 -3.36166 PRESSAVG: 3125000 -60.3059 -22.5496 -93.043 -22.5497 49.4386 -23.8154 -93.043 -23.8154 32.8174 GPRESSAVG: 3125000 -59.453 -20.8376 -92.039 -24.0778 49.1094 -21.7481 -94.4119 -23.9423 32.3788 TIMING: 3125000 CPU: 9875.85, 0.00315477/step Wall: 9875.85, 0.00315477/step, 1.64311 hours remaining, 238.613281 MB of memory in use. ENERGY: 3125000 3986.2244 20662.3785 14472.1588 238.2073 -203450.6581 2711.4516 0.0000 0.0000 52355.2124 -109025.0252 300.8861 -161380.2376 -108668.2759 300.9051 -60.0568 -30.7761 761920.7563 7.3167 7.3451 PRESSURE: 3125200 -260.072 -180.006 -54.1137 -180.006 3.42255 31.3491 -54.1141 31.3492 -75.0225 GPRESSURE: 3125200 -152.287 -181.169 7.41095 -175.08 -3.97117 8.06656 -68.9453 23.1346 -98.0137 PRESSAVG: 3125200 -32.1047 17.0312 -86.3306 17.0311 21.8814 -29.2296 -86.3306 -29.2296 -3.92674 GPRESSAVG: 3125200 -31.736 17.7193 -87.4203 17.213 21.324 -31.4806 -87.5446 -24.3742 -4.21676 TIMING: 3125200 CPU: 9876.48, 0.00316674/step Wall: 9876.48, 0.00316674/step, 1.64917 hours remaining, 238.613281 MB of memory in use. ENERGY: 3125200 4000.5540 20677.3686 14468.8567 256.3896 -203345.3756 2742.8978 0.0000 0.0000 52163.2229 -109036.0859 299.7828 -161199.3088 -108666.5462 300.4059 -110.5575 -84.7571 761176.4030 -4.7167 -4.8763 PRESSURE: 3125400 75.0668 -229.707 -281.512 -229.707 -102.45 114.317 -281.513 114.317 -215.25 GPRESSURE: 3125400 54.7726 -166.204 -356.311 -159.404 3.76174 158.577 -217.791 111.549 -205.94 PRESSAVG: 3125400 -13.6746 -2.60714 -16.7347 -2.60714 15.4354 27.2845 -16.7347 27.2845 -14.6008 GPRESSAVG: 3125400 -13.9985 -3.3933 -15.4612 -2.85304 16.1043 27.1622 -15.6823 24.2361 -14.0625 TIMING: 3125400 CPU: 9877.11, 0.00314598/step Wall: 9877.11, 0.00314598/step, 1.63818 hours remaining, 238.613281 MB of memory in use. ENERGY: 3125400 4019.9700 20406.8566 14481.4290 267.5596 -203179.9946 2561.6085 0.0000 0.0000 52309.3754 -109133.1954 300.6227 -161442.5708 -108769.1458 300.4974 -80.8777 -49.1351 759866.3319 -4.2800 -3.9856 PRESSURE: 3125600 -279.065 -4.34177 127.306 -4.34166 -168.86 -91.2123 127.307 -91.2121 178.926 GPRESSURE: 3125600 -199.631 -67.819 119.432 11.4313 -268.578 -84.6647 198.157 -37.8796 275.939 PRESSAVG: 3125600 13.2062 -41.0659 6.49816 -41.0658 9.79538 -44.0077 6.49816 -44.0077 15.4013 GPRESSAVG: 3125600 13.7795 -41.9361 5.54716 -41.2396 9.0883 -43.195 5.00922 -44.3565 15.2891 TIMING: 3125600 CPU: 9877.74, 0.00315563/step Wall: 9877.74, 0.00315563/step, 1.64303 hours remaining, 238.613281 MB of memory in use. ENERGY: 3125600 4005.1923 20573.8031 14401.4772 248.3752 -202971.6656 2294.4390 0.0000 0.0000 52089.0725 -109359.3062 299.3566 -161448.3787 -108997.1583 300.2028 -89.6665 -64.0899 761235.1909 12.8010 12.7190 PRESSURE: 3125800 135.567 -68.3271 74.4386 -68.3267 232.851 63.693 74.439 63.6932 376.367 GPRESSURE: 3125800 191.721 -81.6021 92.7033 -126.094 278.864 -58.8905 142.615 85.423 331.256 PRESSAVG: 3125800 -17.5507 -14.3555 3.28689 -14.3555 -27.2705 7.05427 3.28683 7.05424 -6.61159 GPRESSAVG: 3125800 -18.2603 -14.9039 1.89537 -13.4683 -26.2177 6.63723 6.74118 6.46331 -7.34083 TIMING: 3125800 CPU: 9878.37, 0.00315029/step Wall: 9878.37, 0.00315029/step, 1.64008 hours remaining, 238.613281 MB of memory in use. ENERGY: 3125800 3957.9598 20438.6725 14379.7162 244.7354 -203136.9791 2543.1096 0.0000 0.0000 52197.1731 -109375.6124 299.9779 -161572.7855 -109003.2369 299.3771 248.2619 267.2804 760606.1713 -17.1443 -17.2730 PRESSURE: 3126000 104.506 -222.614 -301.838 -222.615 -367.9 85.7637 -301.837 85.7627 -143.855 GPRESSURE: 3126000 56.0624 -227.82 -241.049 -222.709 -213.608 134.512 -159.431 -70.7298 -154.059 PRESSAVG: 3126000 46.5779 -35.3973 -28.6468 -35.3973 -41.779 -20.3358 -28.6468 -20.3358 24.7669 GPRESSAVG: 3126000 47.041 -34.5442 -26.4672 -35.0214 -42.3085 -19.2337 -30.3066 -19.1079 24.7593 TIMING: 3126000 CPU: 9879.01, 0.00317398/step Wall: 9879.01, 0.00317398/step, 1.65223 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3126000 4040.3379 20263.9775 14369.1183 249.3985 -202974.4103 2478.5074 0.0000 0.0000 52097.7706 -109475.3001 299.4066 -161573.0707 -109123.2951 299.3880 -135.7495 -103.8684 760200.7110 9.8553 9.8306 PRESSURE: 3126200 177.114 392.881 -64.6169 392.88 127.84 -85.7178 -64.6168 -85.7179 52.8616 GPRESSURE: 3126200 173.213 381.004 -7.2266 424.686 175.071 -215.948 -196.825 3.33718 104.555 PRESSAVG: 3126200 15.6865 0.987828 -52.1168 0.987802 -50.3088 -6.35127 -52.1168 -6.35133 17.0803 GPRESSAVG: 3126200 16.306 0.437252 -54.6025 1.09516 -51.5078 -6.84804 -53.5014 -7.56916 17.2774 TIMING: 3126200 CPU: 9879.64, 0.00316034/step Wall: 9879.64, 0.00316034/step, 1.64496 hours remaining, 238.613281 MB of memory in use. ENERGY: 3126200 3923.1327 20480.2813 14451.8559 269.9405 -203081.0304 2681.6975 0.0000 0.0000 51973.7177 -109300.4049 298.6937 -161274.1225 -108942.9783 299.2165 119.2719 150.9462 760834.0896 -5.8473 -5.9748 PRESSURE: 3126400 -120.847 -32.5346 -88.8178 -32.5353 -264.284 75.3381 -88.8177 75.3393 -103.881 GPRESSURE: 3126400 -138.809 -102.078 -111.947 124.159 -182.092 188.372 64.3012 9.64455 -90.4421 PRESSAVG: 3126400 27.4125 -47.1143 27.2119 -47.1143 -45.8767 77.8906 27.2119 77.8906 29.5537 GPRESSAVG: 3126400 24.7169 -45.5855 29.0753 -48.0597 -43.2364 79.5588 26.869 78.5521 29.0273 TIMING: 3126400 CPU: 9880.27, 0.00317075/step Wall: 9880.27, 0.00317076/step, 1.6502 hours remaining, 238.613281 MB of memory in use. ENERGY: 3126400 4022.4553 20584.0306 14395.1435 250.3842 -203070.0510 2308.9750 0.0000 0.0000 52139.2068 -109369.8555 299.6447 -161509.0623 -109014.4908 300.2306 -163.0041 -137.1143 760827.4570 3.6965 3.5026 PRESSURE: 3126600 -31.6808 -118.283 126.219 -118.283 -286.107 -107.583 126.219 -107.585 -150.532 GPRESSURE: 3126600 31.7094 -75.947 114.094 -123.321 -296.496 -85.5722 188.584 -85.4958 -126.953 PRESSAVG: 3126600 4.97468 9.05688 17.5154 9.0569 -20.8615 47.0991 17.5155 47.0991 -5.02537 GPRESSAVG: 3126600 6.83335 7.17589 16.0483 10.5359 -22.7874 44.9682 20.7051 47.5836 -4.76431 TIMING: 3126600 CPU: 9880.9, 0.00315355/step Wall: 9880.9, 0.00315355/step, 1.64107 hours remaining, 238.613281 MB of memory in use. ENERGY: 3126600 4012.0187 20533.0593 14334.6333 229.8617 -203275.9706 2614.0793 0.0000 0.0000 52195.8495 -109356.4689 299.9703 -161552.3184 -108995.6766 300.1355 -156.1065 -130.5799 762167.5584 -6.9707 -6.9061 PRESSURE: 3126800 91.902 173.643 33.8764 173.643 -104.488 -229.591 33.8763 -229.59 29.746 GPRESSURE: 3126800 82.6728 74.0906 -17.8673 32.6315 -54.3893 -131.532 88.0743 -253.432 46.1897 PRESSAVG: 3126800 58.141 13.4744 27.3938 13.4744 -58.0528 45.5976 27.3939 45.5975 28.6575 GPRESSAVG: 3126800 57.7543 13.4283 27.009 12.235 -57.2733 47.6981 26.1032 43.4727 28.5125 TIMING: 3126800 CPU: 9881.53, 0.00313394/step Wall: 9881.53, 0.00313394/step, 1.6307 hours remaining, 238.613281 MB of memory in use. ENERGY: 3126800 3947.8333 20622.7375 14357.0577 230.8078 -202983.7164 2516.3692 0.0000 0.0000 51905.9751 -109402.9356 298.3044 -161308.9107 -109055.1995 299.9156 5.7200 24.8244 761834.3521 9.5819 9.6645 PRESSURE: 3127000 -46.1758 -27.3934 110.819 -27.394 -16.2484 -115.723 110.818 -115.724 -181.872 GPRESSURE: 3127000 -7.72449 -12.8871 184.02 -18.3314 13.9419 -121.651 31.9011 -52.4243 -158.084 PRESSAVG: 3127000 19.9634 5.54912 12.1333 5.54915 -30.5655 12.588 12.1332 12.5881 -2.39417 GPRESSAVG: 3127000 19.8482 6.37695 14.2509 4.42025 -29.1582 11.2719 8.38046 16.6459 -3.30021 TIMING: 3127000 CPU: 9882.16, 0.00317791/step Wall: 9882.16, 0.00317792/step, 1.6534 hours remaining, 238.613281 MB of memory in use. ENERGY: 3127000 4008.1460 20525.6670 14425.0006 269.0753 -203184.0750 2373.0484 0.0000 0.0000 52098.5033 -109484.6345 299.4108 -161583.1378 -109124.1123 299.9421 -81.4321 -50.6222 759902.6833 -4.3321 -4.2034 PRESSURE: 3127200 -134.118 -14.7323 183.308 -14.7332 -97.2203 70.5222 183.308 70.5227 -44.4774 GPRESSURE: 3127200 -30.5712 -10.3122 139.505 -107.224 -184.443 -34.6264 31.1803 185.415 31.4164 PRESSAVG: 3127200 34.2628 -39.3743 2.84219 -39.3744 17.6963 41.6746 2.84218 41.6745 -13.177 GPRESSAVG: 3127200 35.0126 -37.7521 2.8114 -41.4429 14.7775 39.3662 5.38701 42.1057 -11.5651 TIMING: 3127200 CPU: 9882.79, 0.00315121/step Wall: 9882.79, 0.00315121/step, 1.63933 hours remaining, 238.613281 MB of memory in use. ENERGY: 3127200 3960.4495 20560.6321 14403.1938 251.3360 -203218.7808 2425.3383 0.0000 0.0000 51975.7944 -109642.0366 298.7056 -161617.8311 -109282.8818 299.4823 -91.9385 -61.1994 760897.6440 12.9274 12.7417 PRESSURE: 3127400 8.61532 -164.119 240.624 -164.119 -139.883 -83.8984 240.624 -83.8976 284.533 GPRESSURE: 3127400 25.2776 -100.752 194.419 -119.987 -81.6903 -99.3169 199.978 -70.7075 307.068 PRESSAVG: 3127400 -5.18555 -32.0439 15.014 -32.0439 18.7194 64.7549 15.014 64.7548 -2.62486 GPRESSAVG: 3127400 -5.3122 -32.5995 14.4298 -30.8129 19.7789 65.7479 14.0863 61.5737 -3.57378 TIMING: 3127400 CPU: 9883.42, 0.00314644/step Wall: 9883.42, 0.00314644/step, 1.63668 hours remaining, 238.613281 MB of memory in use. ENERGY: 3127400 4000.3406 20565.2557 14430.7243 250.4035 -203384.0180 2587.0313 0.0000 0.0000 51927.3277 -109622.9348 298.4271 -161550.2625 -109260.6771 299.4910 51.0886 83.5517 761522.9619 3.6363 3.6310 PRESSURE: 3127600 -389.627 -26.9104 137.716 -26.9102 -188.846 23.0224 137.716 23.0225 -31.6903 GPRESSURE: 3127600 -351.77 -68.0462 123.472 -164.884 -81.31 1.5081 96.8979 32.6469 -65.7341 PRESSAVG: 3127600 -58.2781 -10.1863 -40.1859 -10.1863 3.70644 27.0916 -40.186 27.0915 -4.06045 GPRESSAVG: 3127600 -58.3798 -11.7256 -41.5697 -8.75835 4.8426 28.5298 -39.2686 28.7295 -5.34484 TIMING: 3127600 CPU: 9884.05, 0.00314816/step Wall: 9884.05, 0.00314816/step, 1.63739 hours remaining, 238.613281 MB of memory in use. ENERGY: 3127600 3979.7190 20606.1011 14381.8528 245.9568 -203506.1788 2688.5746 0.0000 0.0000 51794.6352 -109809.3393 297.6645 -161603.9745 -109449.9241 298.9085 -203.3876 -166.2715 762247.8843 -19.5440 -19.6274 PRESSURE: 3127800 -179.52 23.2585 -61.4921 23.2589 -356.202 -77.7944 -61.4917 -77.795 -167.444 GPRESSURE: 3127800 -148.085 4.07412 -170.676 27.0665 -388.371 30.7004 -127.583 -24.4708 -75.817 PRESSAVG: 3127800 -34.5453 -13.9026 -28.5628 -13.9026 11.4693 24.1499 -28.5629 24.1499 3.89449 GPRESSAVG: 3127800 -35.4318 -12.1165 -28.0118 -12.63 11.1599 23.9224 -27.6858 22.87 5.24251 TIMING: 3127800 CPU: 9884.68, 0.00314195/step Wall: 9884.68, 0.00314195/step, 1.63399 hours remaining, 238.613281 MB of memory in use. ENERGY: 3127800 4058.4163 20503.8477 14481.5057 250.9237 -202900.1762 2258.8626 0.0000 0.0000 51605.9053 -109740.7149 296.5798 -161346.6202 -109368.6112 298.9361 -234.3888 -204.0910 761631.4712 -6.3939 -6.3431 PRESSURE: 3128000 95.6567 59.986 9.66379 59.9869 38.7276 13.5387 9.66402 13.5396 534.152 GPRESSURE: 3128000 105.752 -28.2152 -86.5847 -4.76776 173.392 65.6051 -65.3105 -15.5828 456.87 PRESSAVG: 3128000 24.7808 -14.1225 -15.7496 -14.1224 -60.1104 -5.60838 -15.7495 -5.60837 20.7924 GPRESSAVG: 3128000 25.1896 -14.8193 -15.4105 -14.4262 -60.0323 -6.92858 -15.9697 -4.25786 20.4982 TIMING: 3128000 CPU: 9885.31, 0.00315497/step Wall: 9885.31, 0.00315497/step, 1.64058 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3128000 3912.6511 20516.1573 14440.0202 242.7122 -203726.8434 2605.4025 0.0000 0.0000 51877.2565 -110132.6436 298.1393 -162009.9001 -109778.3554 298.5333 222.8455 245.3379 759882.0701 -4.8457 -4.7815 PRESSURE: 3128200 191.92 -280.041 12.0001 -280.041 -120.028 -119.597 12.0002 -119.598 332.855 GPRESSURE: 3128200 286.257 -276.494 -10.6859 -330.772 -103.082 -110.349 25.4339 -98.7908 290.689 PRESSAVG: 3128200 -9.01327 23.8031 19.9264 23.803 2.47718 20.6225 19.9264 20.6225 -10.4207 GPRESSAVG: 3128200 -8.76664 23.8172 20.8677 24.1669 1.46727 20.7845 16.99 20.0113 -9.26064 TIMING: 3128200 CPU: 9885.94, 0.00315096/step Wall: 9885.94, 0.00315096/step, 1.63832 hours remaining, 238.613281 MB of memory in use. ENERGY: 3128200 3981.6373 20456.0228 14388.8850 254.3701 -203785.4517 2593.3729 0.0000 0.0000 51985.4973 -110125.6664 298.7614 -162111.1637 -109759.9682 297.8396 134.9158 157.9546 759318.0065 -5.6523 -5.5200 LDB: ============= START OF LOAD BALANCING ============== 9898.34 LDB: ============== END OF LOAD BALANCING =============== 9898.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9898.34 LDB: ============= START OF LOAD BALANCING ============== 9898.66 LDB: Largest compute 7058 load 0.032248 is 16.5% of average load 0.196017 LDB: Average compute 0.004413 is 2.3% of average load 0.196017 LDB: TIME 9898.66 LOAD: AVG 0.196017 MAX 0.213806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 9898.66 LOAD: AVG 0.196017 MAX 0.213806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 9898.66 LOAD: AVG 0.196017 MAX 0.213806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 9898.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9898.67 PRESSURE: 3128400 -175.648 99.8938 124.771 99.8929 -67.6796 166.921 124.771 166.92 -108.287 GPRESSURE: 3128400 -92.5256 107.196 103.979 59.183 -48.9239 69.9353 66.207 145.878 -142.27 PRESSAVG: 3128400 -6.04718 9.00926 17.5673 9.00927 -27.2245 -27.3161 17.5673 -27.316 9.91814 GPRESSAVG: 3128400 -6.20852 7.07711 16.5029 7.91916 -26.34 -27.3824 19.827 -26.4808 8.99581 TIMING: 3128400 CPU: 9886.59, 0.00321253/step Wall: 9886.59, 0.00321253/step, 1.67016 hours remaining, 238.414062 MB of memory in use. ENERGY: 3128400 4051.7762 20523.5872 14373.3287 240.0422 -203631.4913 2499.9611 0.0000 0.0000 51786.4082 -110156.3876 297.6172 -161942.7959 -109802.9066 297.7599 -117.2051 -94.5731 761058.7706 -7.7845 -7.8509 PRESSURE: 3128600 -412.154 4.13515 -95.0135 4.13414 -32.8881 12.0818 -95.0131 12.0817 194.322 GPRESSURE: 3128600 -349.735 -64.5996 -77.7948 -32.4964 -32.0951 16.6167 -6.84452 77.3703 205.414 PRESSAVG: 3128600 -14.5381 28.1862 0.300345 28.1862 7.40554 75.4397 0.300312 75.4397 -2.42676 GPRESSAVG: 3128600 -14.8515 30.9249 0.582051 28.1054 7.97545 76.2804 1.60198 75.51 -2.70285 TIMING: 3128600 CPU: 9887.21, 0.00314047/step Wall: 9887.21, 0.00314047/step, 1.63252 hours remaining, 238.414062 MB of memory in use. ENERGY: 3128600 3972.2277 20516.5572 14475.6934 235.5631 -203441.3704 2517.9806 0.0000 0.0000 51631.7048 -110091.6435 296.7281 -161723.3483 -109736.4514 298.3324 -83.5734 -58.8054 760370.2992 -3.1864 -3.1930 PRESSURE: 3128800 -413.367 -60.0753 232.512 -60.0757 -269.997 9.96385 232.512 9.96318 -357.804 GPRESSURE: 3128800 -322.225 58.5488 213.671 -9.93217 -264.516 -9.53717 106.134 -54.5594 -358.623 PRESSAVG: 3128800 -6.37774 -0.808034 45.5138 -0.808075 5.77328 -0.431651 45.5137 -0.431691 1.05584 GPRESSAVG: 3128800 -6.23454 -3.60374 44.9447 1.62381 5.41702 -0.79466 44.2861 -1.79247 0.698564 TIMING: 3128800 CPU: 9887.84, 0.00314791/step Wall: 9887.84, 0.00314791/step, 1.63621 hours remaining, 238.414062 MB of memory in use. ENERGY: 3128800 4027.5992 20362.5065 14359.4458 248.5994 -203423.7656 2441.2310 0.0000 0.0000 52040.8731 -109943.5106 299.0796 -161984.3837 -109571.2486 298.3690 -347.0561 -315.1213 760490.6525 0.1505 -0.0397 PRESSURE: 3129000 -159.373 204.307 49.1882 204.307 -18.2327 -47.58 49.1874 -47.5794 -98.1513 GPRESSURE: 3129000 -153.095 109.998 -7.3054 203.063 -37.2109 -46.5453 64.4356 -140.201 -0.479923 PRESSAVG: 3129000 -83.9377 17.6923 46.9725 17.6923 -1.54485 -29.8411 46.9725 -29.8411 -0.64019 GPRESSAVG: 3129000 -84.4591 18.1255 48.0362 18.594 -2.12543 -29.798 45.9322 -29.0417 0.295488 TIMING: 3129000 CPU: 9888.47, 0.00314932/step Wall: 9888.47, 0.00314932/step, 1.63677 hours remaining, 238.414062 MB of memory in use. ENERGY: 3129000 4026.3785 20554.6401 14397.2210 231.1107 -203701.2211 2552.4201 0.0000 0.0000 51934.1668 -110005.2839 298.4664 -161939.4507 -109639.2627 298.3624 -91.9189 -63.5952 759982.8301 -28.7076 -28.7630 PRESSURE: 3129200 -100.683 -19.1365 55.5647 -19.1361 -166.08 11.0391 55.5647 11.04 67.2575 GPRESSURE: 3129200 -28.3829 -14.9961 38.7099 37.6584 -101.628 9.3994 -33.1479 42.3351 28.5421 PRESSAVG: 3129200 -1.44112 1.66537 27.4134 1.66538 12.1331 -40.2277 27.4134 -40.2277 -18.0822 GPRESSAVG: 3129200 -2.04772 1.77414 26.1053 -0.828828 12.6772 -38.999 26.9123 -41.275 -17.8114 TIMING: 3129200 CPU: 9889.11, 0.00317079/step Wall: 9889.11, 0.00317079/step, 1.64775 hours remaining, 238.414062 MB of memory in use. ENERGY: 3129200 4007.0453 20519.2178 14404.5608 248.4066 -203622.9130 2664.2996 0.0000 0.0000 51840.0998 -109939.2832 297.9258 -161779.3829 -109575.0616 298.5237 -66.5020 -33.8229 760133.6965 -2.4634 -2.3940 PRESSURE: 3129400 -9.5207 -68.4314 -153.159 -68.4322 142.875 46.9386 -153.158 46.938 38.2802 GPRESSURE: 3129400 14.2899 -107.136 -147.937 -76.8991 131.61 58.5042 -87.7514 9.82594 91.14 PRESSAVG: 3129400 34.8098 -27.9582 -10.9267 -27.9583 -31.4825 23.8443 -10.9266 23.8442 5.32526 GPRESSAVG: 3129400 35.7045 -28.503 -10.0901 -27.4716 -31.4313 23.4944 -9.13558 23.7314 5.17225 TIMING: 3129400 CPU: 9889.74, 0.00316409/step Wall: 9889.74, 0.00316409/step, 1.6441 hours remaining, 238.414062 MB of memory in use. ENERGY: 3129400 3955.1497 20661.1766 14427.9817 238.4752 -203575.1664 2396.5240 0.0000 0.0000 51980.4379 -109915.4212 298.7323 -161895.8591 -109546.6539 298.6627 57.2114 79.0132 760062.4333 2.8842 3.1485 PRESSURE: 3129600 -268.656 171.281 -151.226 171.281 -399.65 -80.3767 -151.227 -80.3766 -318.953 GPRESSURE: 3129600 -152.766 243.024 -126.243 158.673 -361.251 -123.312 -151.495 -188.842 -399.09 PRESSAVG: 3129600 -11.7309 6.44816 -20.4964 6.44815 -7.62988 -18.7298 -20.4964 -18.7298 8.87657 GPRESSAVG: 3129600 -11.7369 8.19378 -20.6648 5.53058 -7.91283 -18.5064 -20.4501 -19.3938 9.11329 TIMING: 3129600 CPU: 9890.37, 0.00317072/step Wall: 9890.37, 0.00317072/step, 1.64737 hours remaining, 238.414062 MB of memory in use. ENERGY: 3129600 3914.6764 20762.7507 14419.9765 244.4401 -203015.5890 2013.0459 0.0000 0.0000 52020.2317 -109640.4677 298.9610 -161660.6994 -109272.4181 299.3298 -329.0865 -304.3691 762285.6322 -3.4947 -3.5122 PRESSURE: 3129800 -349.539 -41.1879 140.695 -41.1867 -447.266 70.5282 140.694 70.5267 -405.381 GPRESSURE: 3129800 -377.257 -8.44857 159.052 72.0285 -375.806 2.7105 40.0375 64.2151 -373.829 PRESSAVG: 3129800 50.7301 -12.3456 -1.2566 -12.3456 -32.7899 15.7686 -1.25658 15.7686 23.543 GPRESSAVG: 3129800 52.3432 -11.5302 -2.69995 -10.7162 -34.3996 15.9194 -3.14367 15.2223 23.149 TIMING: 3129800 CPU: 9891.01, 0.00316143/step Wall: 9891.01, 0.00316143/step, 1.64236 hours remaining, 238.414062 MB of memory in use. ENERGY: 3129800 3958.0455 20464.0154 14409.2600 249.1856 -203281.4608 2176.9390 0.0000 0.0000 52287.9082 -109736.1069 300.4993 -162024.0151 -109365.9276 299.0410 -400.7286 -375.6308 761358.7075 13.8277 13.6976 PRESSURE: 3130000 184.077 52.2384 -84.3694 52.238 67.0598 182.833 -84.3695 182.834 -173.959 GPRESSURE: 3130000 273.462 93.6448 -56.9862 53.0788 59.9897 241.773 39.2248 140.432 -154.359 PRESSAVG: 3130000 35.92 -28.2518 0.0638666 -28.2518 -29.251 22.552 0.0638552 22.552 14.0841 GPRESSAVG: 3130000 34.964 -28.1208 2.17503 -28.5506 -29.2308 22.666 0.938258 24.129 15.0718 TIMING: 3130000 CPU: 9891.64, 0.00316955/step Wall: 9891.64, 0.00316955/step, 1.6464 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3130000 4043.0179 20482.4914 14437.5132 233.8340 -203582.0003 2497.0922 0.0000 0.0000 52060.9612 -109827.0905 299.1951 -161888.0517 -109463.6823 298.9569 25.7258 59.6975 760500.5109 6.9177 6.9350 PRESSURE: 3130200 154.255 116.081 -66.3067 116.081 178.308 -139.078 -66.3064 -139.078 58.7556 GPRESSURE: 3130200 236.749 177.015 -23.4544 -37.2801 192.036 -117.574 -51.0919 -144.301 53.391 PRESSAVG: 3130200 27.2092 -17.5117 19.1912 -17.5117 5.81173 0.887832 19.1912 0.88788 -5.97524 GPRESSAVG: 3130200 27.7146 -18.8616 19.3609 -18.8162 6.66749 0.0435006 19.6176 1.25043 -6.82602 TIMING: 3130200 CPU: 9892.27, 0.00315573/step Wall: 9892.27, 0.00315573/step, 1.63905 hours remaining, 238.414062 MB of memory in use. ENERGY: 3130200 4014.6581 20484.9715 14474.1631 233.4122 -203707.3370 2569.8558 0.0000 0.0000 52011.2681 -109919.0082 298.9095 -161930.2763 -109555.5699 298.8876 130.4398 160.7253 760873.2611 9.0152 9.1853 PRESSURE: 3130400 83.9773 -290.916 80.4706 -290.916 79.2237 -174.694 80.4701 -174.693 71.1207 GPRESSURE: 3130400 179.171 -281.67 28.851 -219.444 81.6586 -177.362 32.7278 -191.218 65.247 PRESSAVG: 3130400 0.611886 -42.2126 5.19694 -42.2127 -2.23755 43.9353 5.19699 43.9353 -2.01664 GPRESSAVG: 3130400 -0.733449 -41.4875 4.07858 -41.4007 -1.99173 44.4389 4.8188 42.7289 -1.04126 TIMING: 3130400 CPU: 9892.9, 0.00315565/step Wall: 9892.9, 0.00315565/step, 1.63883 hours remaining, 238.414062 MB of memory in use. ENERGY: 3130400 3895.7412 20473.1010 14436.5065 251.7399 -203702.5200 2622.3676 0.0000 0.0000 52079.1658 -109943.8980 299.2997 -162023.0638 -109571.5208 298.6052 78.1073 108.6923 761307.5433 -1.2141 -1.2555 PRESSURE: 3130600 -47.5598 68.2583 -119.571 68.2586 17.3987 -18.1402 -119.571 -18.1396 518.99 GPRESSURE: 3130600 44.03 77.2909 -85.7211 -71.1484 19.9194 -3.03316 -80.3137 -30.2235 533.991 PRESSAVG: 3130600 10.2637 8.27861 9.10224 8.27864 -39.6175 8.21352 9.10227 8.21355 -2.9367 GPRESSAVG: 3130600 10.1954 9.27383 8.24125 7.05328 -40.2361 8.97525 8.77013 7.53382 -2.56131 TIMING: 3130600 CPU: 9893.54, 0.00316966/step Wall: 9893.54, 0.00316966/step, 1.64593 hours remaining, 238.414062 MB of memory in use. ENERGY: 3130600 3962.0965 20557.9356 14453.4713 236.4773 -203708.0141 2729.8068 0.0000 0.0000 51824.5583 -109943.6683 297.8364 -161768.2266 -109588.5571 298.4320 162.9430 199.3136 761520.2630 -10.7635 -10.8673 PRESSURE: 3130800 -143.089 2.35328 31.0547 2.35307 -52.3759 79.0052 31.0546 79.004 -704.666 GPRESSURE: 3130800 -114.555 45.2385 98.9715 46.0097 -67.5925 137.255 -37.8824 -27.5356 -645.343 PRESSAVG: 3130800 25.6448 -34.0019 59.4315 -34.002 5.73793 45.2823 59.4313 45.2823 -0.431453 GPRESSAVG: 3130800 25.8954 -36.9944 60.71 -32.1969 4.44817 43.4859 56.7656 47.7954 0.698546 TIMING: 3130800 CPU: 9894.17, 0.00315511/step Wall: 9894.17, 0.00315511/step, 1.6382 hours remaining, 238.414062 MB of memory in use. ENERGY: 3130800 3950.0847 20524.1307 14373.4395 260.6514 -203265.4489 2453.6854 0.0000 0.0000 51626.7837 -110076.6735 296.6998 -161703.4573 -109709.6110 298.4898 -300.0438 -275.8301 761857.9323 10.3171 10.3474 PRESSURE: 3131000 -125.239 -235.093 -11.445 -235.093 -274.334 232.937 -11.4454 232.936 92.6472 GPRESSURE: 3131000 -129.626 -158.158 -18.6857 -200.865 -207.481 73.6192 -120.317 301.382 107.833 PRESSAVG: 3131000 -29.4981 -40.6899 48.3182 -40.6899 47.1144 42.2094 48.3182 42.2093 12.8183 GPRESSAVG: 3131000 -30.7763 -37.9918 48.8744 -40.0064 49.9196 41.5571 49.8143 41.2914 11.0163 TIMING: 3131000 CPU: 9894.8, 0.0031525/step Wall: 9894.8, 0.0031525/step, 1.63667 hours remaining, 238.414062 MB of memory in use. ENERGY: 3131000 3999.1280 20604.8313 14382.9234 257.1108 -203340.4079 2387.9966 0.0000 0.0000 51812.6645 -109895.7534 297.7681 -161708.4179 -109538.8486 298.3777 -102.3087 -76.4248 761194.2563 10.1449 10.0532 PRESSURE: 3131200 162.576 -118.085 -302.588 -118.084 -23.0201 40.7997 -302.588 40.7996 -488.82 GPRESSURE: 3131200 214.237 -162.422 -175.365 62.8557 -41.0965 -33.7316 -352.27 9.59824 -451.748 PRESSAVG: 3131200 43.1346 -14.0805 15.2238 -14.0805 -57.2036 -10.6617 15.2238 -10.6617 -2.4481 GPRESSAVG: 3131200 44.3829 -15.2701 14.8739 -14.365 -58.2663 -9.25065 16.1305 -10.6893 -3.1659 TIMING: 3131200 CPU: 9895.43, 0.00315664/step Wall: 9895.43, 0.00315664/step, 1.63865 hours remaining, 238.414062 MB of memory in use. ENERGY: 3131200 3999.8210 20484.2957 14315.4118 252.2915 -203429.4912 2325.5860 0.0000 0.0000 52300.4473 -109751.6377 300.5714 -162052.0850 -109381.4957 298.7006 -116.4214 -92.8692 761128.5693 -5.5057 -5.6831 PRESSURE: 3131400 -311.464 -19.2191 -32.9749 -19.2202 -280.624 -114.218 -32.9746 -114.219 -315.815 GPRESSURE: 3131400 -240.402 56.6495 21.9803 55.2281 -310.645 -40.6576 -72.6142 -162.817 -275.325 PRESSAVG: 3131400 11.4877 33.7795 2.39694 33.7795 -20.7463 -55.1481 2.39695 -55.1483 0.499706 GPRESSAVG: 3131400 11.5378 34.2777 3.05867 33.7034 -20.8714 -54.7744 1.78039 -55.6694 0.445217 TIMING: 3131400 CPU: 9896.06, 0.00314802/step Wall: 9896.06, 0.00314802/step, 1.634 hours remaining, 238.414062 MB of memory in use. ENERGY: 3131400 3987.6908 20510.7072 14446.0633 240.6081 -203110.0375 2392.3309 0.0000 0.0000 51922.3512 -109610.2861 298.3985 -161532.6373 -109246.9647 299.1076 -302.6342 -275.4573 763321.9752 -2.9196 -2.9628 PRESSURE: 3131600 -115.767 -22.2029 218.138 -22.2027 -117.495 -149.325 218.138 -149.325 -434.121 GPRESSURE: 3131600 -57.9511 -111.34 334.86 -56.7627 -102.896 -165.391 134.582 -89.8592 -422.832 PRESSAVG: 3131600 7.29048 49.2821 42.5569 49.2821 -14.7325 29.9139 42.5569 29.914 -2.31288 GPRESSAVG: 3131600 7.50811 49.1502 42.2667 46.763 -15.0777 28.8753 44.0235 31.8983 -2.04679 TIMING: 3131600 CPU: 9896.69, 0.00314673/step Wall: 9896.69, 0.00314673/step, 1.63315 hours remaining, 238.414062 MB of memory in use. ENERGY: 3131600 3947.2432 20441.6504 14394.6869 249.3614 -203734.4120 2854.7619 0.0000 0.0000 52132.2728 -109714.4353 299.6049 -161846.7081 -109346.4290 299.1887 -222.4610 -194.5599 761300.3575 -3.2516 -3.2054 PRESSURE: 3131800 -26.4944 103.669 136.996 103.67 104.67 -126.752 136.996 -126.752 253.117 GPRESSURE: 3131800 -54.6409 185.343 289.472 134.628 124.919 -30.289 101.003 -150.213 346.775 PRESSAVG: 3131800 43.734 0.897729 7.25105 0.897753 -18.0074 10.714 7.25101 10.7141 -13.2362 GPRESSAVG: 3131800 44.2531 0.157505 6.60807 2.54776 -18.3635 12.0336 6.50645 9.0063 -13.4128 TIMING: 3131800 CPU: 9897.32, 0.00314502/step Wall: 9897.32, 0.00314502/step, 1.63209 hours remaining, 238.414062 MB of memory in use. ENERGY: 3131800 3902.2497 20371.7264 14331.7676 234.9536 -203125.8682 2585.1328 0.0000 0.0000 51945.9095 -109754.1286 298.5339 -161700.0381 -109390.8020 298.7949 110.4306 139.0176 761524.8875 4.1634 4.1589 PRESSURE: 3132000 -58.7881 2.03689 134.996 2.03738 52.8783 -30.5592 134.996 -30.5591 326.65 GPRESSURE: 3132000 -13.4634 77.2493 78.2815 44.2141 166.67 25.8245 -12.0703 -116.161 254.8 PRESSAVG: 3132000 29.1215 50.4353 7.80633 50.4353 -16.2881 25.0851 7.80626 25.0851 -18.7689 GPRESSAVG: 3132000 27.7071 50.2767 6.19897 51.5094 -15.2297 25.7447 8.03704 25.3121 -18.6292 TIMING: 3132000 CPU: 9897.94, 0.00311826/step Wall: 9897.94, 0.00311826/step, 1.61803 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3132000 3974.2028 20417.0753 14395.9750 256.7912 -203314.0632 2510.6025 0.0000 0.0000 52081.1801 -109678.2362 299.3113 -161759.4163 -109309.8323 298.7935 106.9134 136.0022 760866.3850 -1.9785 -2.0506 PRESSURE: 3132200 172.57 -146.029 -254.601 -146.029 -224.415 -89.9497 -254.599 -89.9511 -460.796 GPRESSURE: 3132200 115.499 -133.493 -253.399 -86.2393 -166.178 -61.2733 -187.353 -63.3306 -388.977 PRESSAVG: 3132200 4.51592 -33.675 -30.846 -33.675 24.8179 -14.9969 -30.8459 -14.9968 23.3327 GPRESSAVG: 3132200 5.37304 -33.0867 -29.5843 -35.3866 24.0345 -15.38 -30.7899 -15.192 22.9556 TIMING: 3132200 CPU: 9898.57, 0.00315191/step Wall: 9898.57, 0.00315191/step, 1.63532 hours remaining, 238.414062 MB of memory in use. ENERGY: 3132200 3991.1403 20535.6744 14336.8157 256.2936 -203205.8466 2369.5319 0.0000 0.0000 51867.3089 -109849.0818 298.0821 -161716.3907 -109492.9547 298.8351 -170.8806 -146.5518 761973.7514 17.5555 17.4544 LDB: ============= START OF LOAD BALANCING ============== 9910.97 LDB: ============== END OF LOAD BALANCING =============== 9910.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9910.97 LDB: ============= START OF LOAD BALANCING ============== 9911.28 LDB: Largest compute 7058 load 0.032383 is 16.5% of average load 0.196159 LDB: Average compute 0.004392 is 2.2% of average load 0.196159 LDB: TIME 9911.29 LOAD: AVG 0.196159 MAX 0.214742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 9911.29 LOAD: AVG 0.196159 MAX 0.214742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 9911.29 LOAD: AVG 0.196159 MAX 0.214742 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 9911.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9911.29 PRESSURE: 3132400 -111.614 -253.625 -290.635 -253.625 -341.965 -25.1285 -290.635 -25.129 142.356 GPRESSURE: 3132400 -198.411 -302.263 -155.258 -208.892 -174.321 -61.6198 -368.252 -154.913 142.06 PRESSAVG: 3132400 -1.04016 -73.395 29.8726 -73.395 -26.1771 -35.8444 29.8726 -35.8444 10.8999 GPRESSAVG: 3132400 -1.89448 -74.279 29.2606 -71.6279 -26.0157 -37.0058 28.4173 -36.5892 11.7435 TIMING: 3132400 CPU: 9899.21, 0.00319331/step Wall: 9899.21, 0.00319331/step, 1.65662 hours remaining, 237.843750 MB of memory in use. ENERGY: 3132400 3959.9936 20510.1667 14367.8320 236.3958 -203181.9581 2390.9807 0.0000 0.0000 51916.5223 -109800.0670 298.3650 -161716.5893 -109449.5421 298.8883 -103.7409 -76.8904 761961.0490 -5.4391 -5.3889 PRESSURE: 3132600 -328.436 117.399 -123.758 117.399 132.012 -182.534 -123.758 -182.535 494.757 GPRESSURE: 3132600 -223.343 67.9858 -165.154 88.4377 117.71 -140.265 134.23 -194.748 459.854 PRESSAVG: 3132600 -25.816 -59.6418 -28.979 -59.6419 0.591591 -40.7362 -28.9791 -40.7362 -28.168 GPRESSAVG: 3132600 -24.5208 -58.8592 -27.7984 -60.9653 -0.912683 -37.93 -29.0219 -39.2202 -28.2313 TIMING: 3132600 CPU: 9899.83, 0.00312196/step Wall: 9899.83, 0.00312196/step, 1.61943 hours remaining, 237.843750 MB of memory in use. ENERGY: 3132600 3963.6758 20518.2042 14355.3443 256.3570 -203712.7168 2693.0916 0.0000 0.0000 52213.6977 -109712.3461 300.0728 -161926.0438 -109347.1085 299.1106 99.4443 118.0740 759350.1957 -17.7974 -17.8883 PRESSURE: 3132800 45.7397 42.4506 126.085 42.4496 108.682 185.879 126.086 185.88 -643.439 GPRESSURE: 3132800 85.3579 -17.0467 118.468 61.2411 67.239 139.836 103.831 155.065 -558.54 PRESSAVG: 3132800 -0.0940501 -30.4481 -44.9699 -30.4481 18.2521 -31.0584 -44.97 -31.0584 11.7733 GPRESSAVG: 3132800 -0.895102 -31.1104 -45.4425 -32.256 19.5223 -33.2556 -44.6826 -31.0374 11.8309 TIMING: 3132800 CPU: 9900.46, 0.00313894/step Wall: 9900.46, 0.00313894/step, 1.62806 hours remaining, 237.843750 MB of memory in use. ENERGY: 3132800 3924.1301 20589.1953 14376.4501 257.2779 -203404.4191 2323.3115 0.0000 0.0000 52075.6508 -109858.4033 299.2795 -161934.0541 -109501.3038 299.0703 -163.0058 -135.3144 760260.7818 9.9771 10.1527 PRESSURE: 3133000 -196.158 61.2331 -131.98 61.2325 -114.057 49.7377 -131.98 49.7377 -282.445 GPRESSURE: 3133000 -9.88652 90.3076 -108.949 -31.1836 -109.861 71.9932 -120.252 -8.8071 -383.716 PRESSAVG: 3133000 41.6105 21.5287 -3.48995 21.5287 -62.5661 -30.227 -3.48999 -30.227 17.8438 GPRESSAVG: 3133000 42.9441 21.7799 -3.06761 21.6735 -63.3832 -28.8684 -3.38161 -31.0859 18.0691 TIMING: 3133000 CPU: 9901.1, 0.003163/step Wall: 9901.1, 0.003163/step, 1.64037 hours remaining, 237.843750 MB of memory in use. ENERGY: 3133000 4002.1581 20514.2701 14378.6457 241.1497 -203347.0446 2467.3591 0.0000 0.0000 51866.4648 -109876.9970 298.0773 -161743.4619 -109516.2737 298.8104 -197.5535 -167.8212 761643.3331 -1.0373 -0.7900 PRESSURE: 3133200 -83.9238 16.9858 93.5448 16.9862 -590.297 138.067 93.5449 138.067 -594.37 GPRESSURE: 3133200 -13.4533 17.2479 46.4396 98.1355 -508.672 55.1492 99.0121 38.2655 -649.097 PRESSAVG: 3133200 27.3165 3.00572 65.9218 3.00575 -22.3345 28.2226 65.9217 28.2226 -10.4757 GPRESSAVG: 3133200 26.5065 2.0352 63.528 5.25981 -21.4696 28.6388 67.5673 28.4671 -10.3892 TIMING: 3133200 CPU: 9901.73, 0.00317074/step Wall: 9901.73, 0.00317074/step, 1.64421 hours remaining, 237.843750 MB of memory in use. ENERGY: 3133200 3916.4055 20611.9820 14344.5995 233.3098 -202996.7754 2120.4209 0.0000 0.0000 52060.0069 -109710.0507 299.1896 -161770.0576 -109344.2347 298.8964 -422.8637 -390.4075 762042.8639 -1.8313 -1.7841 PRESSURE: 3133400 188.944 -74.947 -110.769 -74.9466 158.814 260.565 -110.769 260.565 -24.2898 GPRESSURE: 3133400 307.77 -57.8024 -91.6341 -165.719 124.028 175.479 -105.783 294.925 -43.2885 PRESSAVG: 3133400 -27.5827 -43.5357 -23.1444 -43.5356 -6.00994 97.6687 -23.1444 97.6686 -11.2888 GPRESSAVG: 3133400 -27.1143 -42.0656 -22.2237 -44.9659 -6.47612 95.9967 -25.3841 96.8663 -11.3115 TIMING: 3133400 CPU: 9902.36, 0.00314833/step Wall: 9902.36, 0.00314833/step, 1.63241 hours remaining, 237.843750 MB of memory in use. ENERGY: 3133400 3909.0185 20389.3027 14278.8921 236.3949 -203182.4637 2554.7676 0.0000 0.0000 52231.9500 -109582.1379 300.1777 -161814.0879 -109215.2583 298.7883 107.8228 129.5031 761835.5347 -14.9605 -14.9673 PRESSURE: 3133600 49.5053 -130.669 -5.6202 -130.67 -32.2197 -0.893669 -5.61996 -0.893998 227.502 GPRESSURE: 3133600 -11.177 -189.636 -34.2529 -161.671 95.3002 113.201 -13.8464 -8.24791 246.941 PRESSAVG: 3133600 -29.7841 -69.4994 33.4737 -69.4994 54.3752 -1.99546 33.4737 -1.99551 1.39551 GPRESSAVG: 3133600 -29.5739 -68.4778 33.734 -70.3953 54.0793 -0.590899 34.2852 -0.152259 0.930238 TIMING: 3133600 CPU: 9902.98, 0.00312541/step Wall: 9902.98, 0.00312541/step, 1.62035 hours remaining, 237.843750 MB of memory in use. ENERGY: 3133600 3944.7920 20580.4578 14310.3284 238.7303 -203409.8764 2799.5349 0.0000 0.0000 52089.7582 -109446.2748 299.3606 -161536.0330 -109078.7740 299.1997 81.5958 110.3548 760626.8536 8.6622 8.4785 PRESSURE: 3133800 158.31 -75.6528 173.024 -75.6522 -23.2089 -26.1047 173.025 -26.1037 -41.3027 GPRESSURE: 3133800 229.557 36.7272 216.294 -18.6705 -4.52716 -8.00856 202.141 22.3529 -55.0721 PRESSAVG: 3133800 11.3765 -40.8108 -5.29746 -40.8108 -29.6777 -14.4973 -5.29738 -14.4973 -0.748421 GPRESSAVG: 3133800 11.6055 -43.0778 -3.6475 -37.6184 -30.2753 -15.2629 -5.73978 -13.448 -0.354122 TIMING: 3133800 CPU: 9903.62, 0.00317643/step Wall: 9903.62, 0.00317643/step, 1.64663 hours remaining, 237.843750 MB of memory in use. ENERGY: 3133800 3929.9154 20347.0815 14418.4191 230.7596 -203480.5796 2737.7375 0.0000 0.0000 52126.4889 -109690.1775 299.5716 -161816.6664 -109312.1795 299.2126 31.2663 56.6527 761595.3608 -6.3499 -6.3413 PRESSURE: 3134000 47.3979 283.833 19.7778 283.834 -217.019 -29.3702 19.7783 -29.3701 -110.243 GPRESSURE: 3134000 -50.1248 310.589 -42.4769 291.826 -33.3029 -141.684 59.7877 109.725 -132.885 PRESSAVG: 3134000 46.0455 11.0542 20.9607 11.0542 -8.87717 22.5309 20.9607 22.5309 3.38444 GPRESSAVG: 3134000 45.1517 12.6833 19.8166 9.42508 -6.93174 24.3387 22.1609 21.013 2.51532 TIMING: 3134000 CPU: 9904.25, 0.00316204/step Wall: 9904.25, 0.00316204/step, 1.63899 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3134000 3954.7373 20599.1039 14455.1591 246.0872 -203474.3197 2595.7074 0.0000 0.0000 51855.4949 -109768.0298 298.0142 -161623.5247 -109395.7561 299.2463 -93.2882 -72.1042 760217.4217 13.5176 13.5784 PRESSURE: 3134200 -190.314 -164.093 -176.23 -164.094 -402.507 -89.7921 -176.23 -89.7931 -237.483 GPRESSURE: 3134200 -160.5 -116.46 -104.863 -180.461 -358.322 25.3302 -258.135 -175.722 -252.284 PRESSAVG: 3134200 40.5058 23.6556 10.1378 23.6556 -41.3462 42.4728 10.1378 42.4728 -16.425 GPRESSAVG: 3134200 41.8882 22.555 10.1699 23.8348 -42.8686 40.8407 8.61147 43.3567 -16.7844 TIMING: 3134200 CPU: 9904.88, 0.00314486/step Wall: 9904.88, 0.00314486/step, 1.62991 hours remaining, 237.843750 MB of memory in use. ENERGY: 3134200 3960.1508 20459.4781 14424.3656 237.0987 -203412.2823 2339.0634 0.0000 0.0000 52293.9214 -109698.2043 300.5339 -161992.1257 -109319.9618 298.7753 -276.7683 -257.0356 762706.4025 -5.7551 -5.9216 PRESSURE: 3134400 161.989 35.9414 173.938 35.9419 -107.067 161.754 173.938 161.753 76.6507 GPRESSURE: 3134400 170.006 90.7051 264.815 -96.8273 -2.44313 120.065 322.24 184.392 49.7412 PRESSAVG: 3134400 -6.58381 16.6528 -4.14838 16.6528 -20.4333 42.1458 -4.14832 42.1459 -2.10512 GPRESSAVG: 3134400 -7.26649 15.3707 -3.48238 16.4943 -19.437 42.6444 -3.6979 42.5272 -1.83446 TIMING: 3134400 CPU: 9905.51, 0.00315735/step Wall: 9905.51, 0.00315735/step, 1.63621 hours remaining, 237.843750 MB of memory in use. ENERGY: 3134400 3913.8894 20513.9105 14387.9553 241.2601 -203361.2830 2779.4511 0.0000 0.0000 52020.2032 -109504.6133 298.9608 -161524.8165 -109149.3569 299.0572 43.8575 72.4347 761251.2141 -9.7074 -9.5126 PRESSURE: 3134600 143.377 194.45 61.9426 194.45 -326.571 -20.1502 61.9427 -20.1498 127.516 GPRESSURE: 3134600 125.052 113.502 84.6898 97.8958 -281.747 -88.6672 -52.957 -4.68877 174.648 PRESSAVG: 3134600 9.49618 30.6926 -25.5983 30.6927 11.2881 65.1812 -25.5983 65.1812 -18.8174 GPRESSAVG: 3134600 8.95359 31.3514 -25.8139 30.0334 10.7457 64.281 -22.9136 65.7212 -18.3756 TIMING: 3134600 CPU: 9906.15, 0.00317784/step Wall: 9906.15, 0.00317784/step, 1.64665 hours remaining, 237.843750 MB of memory in use. ENERGY: 3134600 3984.0297 20508.0438 14335.1355 266.9702 -202904.0130 2142.5508 0.0000 0.0000 52129.3526 -109537.9304 299.5881 -161667.2830 -109174.7497 299.4870 -18.5592 5.9842 760141.3849 0.6556 0.4412 PRESSURE: 3134800 -166.06 -152.982 -115.92 -152.982 57.7875 125.938 -115.919 125.938 -277.729 GPRESSURE: 3134800 -107.661 -128.208 -140.515 -107.84 75.0097 99.9811 -181.482 165.328 -263.974 PRESSAVG: 3134800 -13.7951 -30.6935 38.5522 -30.6935 -16.3948 63.0077 38.5522 63.0076 -12.6027 GPRESSAVG: 3134800 -14.5861 -30.8912 38.7107 -30.3019 -15.8444 63.8304 34.0274 60.7257 -11.8674 TIMING: 3134800 CPU: 9906.78, 0.0031471/step Wall: 9906.78, 0.0031471/step, 1.63055 hours remaining, 237.843750 MB of memory in use. ENERGY: 3134800 3902.5290 20779.0532 14362.8426 245.0747 -203325.9374 2493.1525 0.0000 0.0000 51992.1562 -109551.1291 298.7996 -161543.2854 -109189.0725 299.1758 -128.6669 -98.8753 761111.0434 -14.2642 -14.0993 PRESSURE: 3135000 -131.678 126.075 280.162 126.075 143.726 -153.168 280.162 -153.169 147.102 GPRESSURE: 3135000 8.06181 89.4299 218.858 78.1494 143.796 -43.9126 413.456 -162.826 98.8192 PRESSAVG: 3135000 42.3166 19.7239 -51.3079 19.7239 -23.2885 15.2147 -51.3079 15.2147 18.987 GPRESSAVG: 3135000 43.3102 17.1859 -51.3892 20.4381 -23.7372 16.0301 -49.4213 16.0309 18.4658 TIMING: 3135000 CPU: 9907.4, 0.00313447/step Wall: 9907.4, 0.00313447/step, 1.62383 hours remaining, 237.843750 MB of memory in use. ENERGY: 3135000 3971.7991 20563.8657 14458.5660 240.7131 -203641.9641 2756.8536 0.0000 0.0000 51945.8756 -109704.2909 298.5337 -161650.1666 -109343.6202 299.0309 53.0500 83.5590 761027.9947 12.6717 12.6796 PRESSURE: 3135200 71.6024 289.215 -21.9178 289.215 579.907 -154.699 -21.9187 -154.698 329.391 GPRESSURE: 3135200 183.162 279.545 -6.37535 246.248 497.979 -275.614 -184.377 -63.5712 385.759 PRESSAVG: 3135200 -22.9092 -31.4211 13.9175 -31.421 23.1144 19.4036 13.9175 19.4036 23.7807 GPRESSAVG: 3135200 -22.9197 -27.6891 14.7148 -32.9336 22.6829 18.569 14.4219 21.1235 23.9124 TIMING: 3135200 CPU: 9908.03, 0.00313771/step Wall: 9908.03, 0.00313771/step, 1.62533 hours remaining, 237.843750 MB of memory in use. ENERGY: 3135200 3869.7547 20601.2999 14548.3389 257.5529 -203599.0064 2548.5111 0.0000 0.0000 51905.4901 -109868.0586 298.3016 -161773.5487 -109501.0662 298.5008 326.9668 355.6334 759346.9812 7.9953 7.8919 PRESSURE: 3135400 224.052 -82.0034 118.23 -82.0026 81.9618 121.534 118.229 121.534 -0.485764 GPRESSURE: 3135400 261.254 -110.694 100.02 -227.27 119.963 190.366 66.8717 12.7804 5.68434 PRESSAVG: 3135400 15.9768 -27.7596 16.9208 -27.7597 22.8187 55.7357 16.9209 55.7357 27.6376 GPRESSAVG: 3135400 15.5903 -28.1948 14.2855 -25.0858 23.4541 55.691 16.3748 53.323 27.3388 TIMING: 3135400 CPU: 9908.66, 0.00314475/step Wall: 9908.66, 0.00314475/step, 1.6288 hours remaining, 237.843750 MB of memory in use. ENERGY: 3135400 3876.7816 20552.4357 14511.2253 237.5048 -203626.4787 2570.9865 0.0000 0.0000 51798.7207 -110078.8241 297.6880 -161877.5447 -109713.3497 298.1009 101.8426 128.9670 760172.2644 22.1444 22.1277 PRESSURE: 3135600 -58.6367 -132.354 -31.8824 -132.354 -410.655 12.1133 -31.8831 12.1135 -148.192 GPRESSURE: 3135600 -105.632 -109.143 -66.8604 -129.707 -269.28 56.9728 42.4103 131.065 -172.746 PRESSAVG: 3135600 -11.1423 -9.99961 -35.6933 -9.99954 -30.4758 75.8246 -35.6933 75.8246 -16.9191 GPRESSAVG: 3135600 -12.3914 -10.3785 -36.0306 -11.6262 -29.9121 75.8025 -34.2407 76.5661 -16.4067 TIMING: 3135600 CPU: 9909.29, 0.00313709/step Wall: 9909.29, 0.00313709/step, 1.62466 hours remaining, 237.843750 MB of memory in use. ENERGY: 3135600 3908.7578 20653.2371 14372.2162 249.9271 -203333.4267 2244.5403 0.0000 0.0000 51862.2806 -110042.4676 298.0532 -161904.7482 -109673.2688 298.6480 -205.8279 -182.5525 760338.4935 -19.5124 -19.5701 PRESSURE: 3135800 -218.546 -242.961 -32.0592 -242.96 89.4427 -53.8528 -32.0592 -53.8535 -258.605 GPRESSURE: 3135800 -148.314 -173.483 -26.5017 -69.8469 78.6218 -106.016 -46.0814 44.2012 -213.019 PRESSAVG: 3135800 45.994 -37.3759 -15.8486 -37.3758 -11.5907 28.2856 -15.8487 28.2855 -0.0650252 GPRESSAVG: 3135800 47.0108 -36.5644 -13.9697 -34.6749 -11.3483 28.8688 -16.9924 29.333 -1.1416 TIMING: 3135800 CPU: 9909.92, 0.00314646/step Wall: 9909.92, 0.00314646/step, 1.62934 hours remaining, 237.843750 MB of memory in use. ENERGY: 3135800 4028.0253 20447.5810 14485.6928 241.8316 -203401.5116 2459.6700 0.0000 0.0000 51741.5413 -109997.1698 297.3593 -161738.7110 -109630.9656 297.6725 -129.2361 -94.2372 759696.6848 11.4461 11.5070 PRESSURE: 3136000 11.2952 -245.948 218.123 -245.949 -1.82761 138.531 218.123 138.53 20.0466 GPRESSURE: 3136000 79.5689 -360.725 232.7 -222.48 36.8741 188.728 118.453 -35.7495 11.2304 PRESSAVG: 3136000 -32.4418 -18.3938 -40.7422 -18.3939 5.47708 72.9113 -40.7421 72.9112 -14.6812 GPRESSAVG: 3136000 -30.9372 -18.2556 -40.5352 -21.0567 4.32566 72.4784 -41.4325 70.2845 -15.1738 TIMING: 3136000 CPU: 9910.54, 0.00313802/step Wall: 9910.54, 0.00313802/step, 1.6248 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3136000 3974.4221 20501.7967 14431.5291 235.6059 -203662.9754 2740.1719 0.0000 0.0000 52084.2924 -109695.1572 299.3291 -161779.4497 -109325.1654 298.1234 9.8381 42.5578 759738.5133 -13.8820 -13.9285 PRESSURE: 3136200 43.7366 -133.816 152.631 -133.816 -449.231 62.3827 152.632 62.3834 -78.9212 GPRESSURE: 3136200 -5.05202 -235.765 129.734 -167.31 -389.032 26.1315 312.137 185.056 -8.02976 PRESSAVG: 3136200 7.68599 -54.4385 -1.60714 -54.4384 -2.92925 50.7637 -1.60707 50.7637 -5.68345 GPRESSAVG: 3136200 5.65158 -55.0948 -1.98512 -53.4091 -2.88964 48.5107 0.777348 54.1002 -3.77063 TIMING: 3136200 CPU: 9911.18, 0.00315447/step Wall: 9911.18, 0.00315447/step, 1.63314 hours remaining, 237.843750 MB of memory in use. ENERGY: 3136200 3971.7423 20473.5916 14446.4991 219.9467 -203614.1536 2619.3561 0.0000 0.0000 51989.5172 -109893.5006 298.7845 -161883.0178 -109530.0119 298.2388 -161.4719 -134.0381 761401.9793 -0.3089 -0.3362 LDB: ============= START OF LOAD BALANCING ============== 9923.57 LDB: ============== END OF LOAD BALANCING =============== 9923.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9923.57 LDB: ============= START OF LOAD BALANCING ============== 9923.89 LDB: Largest compute 7055 load 0.032538 is 16.6% of average load 0.196122 LDB: Average compute 0.004385 is 2.2% of average load 0.196122 LDB: TIME 9923.89 LOAD: AVG 0.196122 MAX 0.213458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 9923.89 LOAD: AVG 0.196122 MAX 0.213458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.961 MB LDB: TIME 9923.89 LOAD: AVG 0.196122 MAX 0.213458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.961 MB LDB: ============== END OF LOAD BALANCING =============== 9923.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9923.9 PRESSURE: 3136400 -191.348 -175.521 -24.3108 -175.521 -18.4966 141.799 -24.3109 141.8 -282.21 GPRESSURE: 3136400 -120.049 -171.17 -75.4916 -241.11 4.43862 247.629 -29.7769 74.8233 -299.611 PRESSAVG: 3136400 -12.808 -28.1064 24.1519 -28.1064 -33.353 -3.8316 24.152 -3.83156 -10.6337 GPRESSAVG: 3136400 -12.6582 -27.4043 21.8766 -30.6051 -32.4093 -2.13988 24.5079 -5.21458 -11.6547 TIMING: 3136400 CPU: 9911.82, 0.00320424/step Wall: 9911.82, 0.00320424/step, 1.65873 hours remaining, 239.183594 MB of memory in use. ENERGY: 3136400 3950.4945 20428.6732 14393.8124 247.2769 -203047.4009 2312.2666 0.0000 0.0000 51726.5294 -109988.3479 297.2731 -161714.8773 -109615.6182 297.6318 -164.0180 -138.4071 762363.3283 -18.9316 -18.9074 PRESSURE: 3136600 14.4762 5.01221 -223.326 5.01178 -238.238 71.3373 -223.326 71.3372 38.2433 GPRESSURE: 3136600 60.4634 29.292 -246.728 -59.753 -152.514 82.8881 -73.8631 149.802 -6.25907 PRESSAVG: 3136600 0.112189 -37.6745 -39.6911 -37.6745 35.4676 24.3942 -39.6911 24.3942 -27.3444 GPRESSAVG: 3136600 0.706192 -38.6807 -38.6149 -35.3038 34.7656 25.915 -40.4148 26.1312 -27.3386 TIMING: 3136600 CPU: 9912.45, 0.00314697/step Wall: 9912.45, 0.00314697/step, 1.62891 hours remaining, 239.386719 MB of memory in use. ENERGY: 3136600 3903.4441 20480.9089 14426.5297 235.2367 -203167.3406 2442.7312 0.0000 0.0000 51719.9852 -109958.5047 297.2355 -161678.4899 -109593.8109 297.4288 -61.8393 -32.7699 763017.8774 2.7451 2.7111 PRESSURE: 3136800 -282.529 87.5026 -89.9558 87.5037 113.948 134.15 -89.9572 134.15 -187.624 GPRESSURE: 3136800 -210.61 86.6788 -104.146 -104.873 60.5627 179.788 -10.2877 136.288 -132.696 PRESSAVG: 3136800 -1.21751 -57.2229 -4.79659 -57.2229 -20.3715 27.9626 -4.79654 27.9627 7.56798 GPRESSAVG: 3136800 -1.43965 -55.995 -5.50131 -57.0142 -21.0668 27.2722 -4.49129 24.8157 8.38771 TIMING: 3136800 CPU: 9913.08, 0.00315296/step Wall: 9913.08, 0.00315296/step, 1.63183 hours remaining, 239.386719 MB of memory in use. ENERGY: 3136800 3986.7908 20701.6483 14462.0284 267.0379 -203667.3485 2630.1274 0.0000 0.0000 51877.7852 -109741.9305 298.1423 -161619.7157 -109385.3761 298.1005 -118.7348 -94.2478 760983.9781 -4.6737 -4.7063 PRESSURE: 3137000 165.873 -77.0702 8.28485 -77.0704 162.357 95.3306 8.28432 95.3306 65.9476 GPRESSURE: 3137000 206.619 -102.857 64.122 -167.515 144.846 44.9305 -93.4652 174.971 126.436 PRESSAVG: 3137000 34.2005 -72.943 -9.32783 -72.943 -70.936 -0.452052 -9.32781 -0.452041 1.88327 GPRESSAVG: 3137000 35.3596 -73.1222 -7.88405 -73.8185 -71.6459 -1.66035 -9.95801 1.50043 1.22891 TIMING: 3137000 CPU: 9913.7, 0.00313935/step Wall: 9913.7, 0.00313935/step, 1.62461 hours remaining, 239.386719 MB of memory in use. ENERGY: 3137000 3891.9599 20617.7545 14392.7383 236.3790 -203400.5377 2719.2425 0.0000 0.0000 51885.3031 -109657.1604 298.1855 -161542.4635 -109299.1267 298.6138 131.3927 159.3005 761920.4894 -11.6174 -11.6858 PRESSURE: 3137200 -225.62 260.048 300.622 260.048 -342.972 -63.3347 300.622 -63.335 8.51917 GPRESSURE: 3137200 -98.5531 214.704 267.1 237.556 -321.984 -7.18683 193.27 193.914 -70.7854 PRESSAVG: 3137200 31.8472 -30.0488 -40.1024 -30.0488 -37.2405 -4.02863 -40.1024 -4.02862 21.6929 GPRESSAVG: 3137200 30.6799 -31.0926 -40.8465 -28.5916 -35.9818 -3.77643 -40.7512 -2.19498 21.7492 TIMING: 3137200 CPU: 9914.33, 0.00314201/step Wall: 9914.33, 0.00314201/step, 1.62581 hours remaining, 239.386719 MB of memory in use. ENERGY: 3137200 3929.3111 20730.0413 14408.2975 261.4539 -203488.5302 2791.6057 0.0000 0.0000 51772.0267 -109595.7939 297.5345 -161367.8206 -109248.1936 298.6703 -186.6907 -163.7741 764368.5322 5.4332 5.4825 PRESSURE: 3137400 266.853 -111.215 -127.123 -111.215 -221.893 103.622 -127.124 103.622 184.239 GPRESSURE: 3137400 308.722 -65.5209 -96.1606 -41.3777 -176.051 124.771 -145.425 -12.1877 183.057 PRESSAVG: 3137400 33.4203 56.8001 -15.5851 56.8001 -80.9926 55.2264 -15.5851 55.2264 4.50842 GPRESSAVG: 3137400 33.0506 59.6627 -14.2326 54.6687 -80.6429 54.9583 -17.9528 54.2797 4.069 TIMING: 3137400 CPU: 9914.96, 0.00312374/step Wall: 9914.96, 0.00312374/step, 1.61619 hours remaining, 239.386719 MB of memory in use. ENERGY: 3137400 3939.8982 20527.3808 14343.3984 251.6424 -203911.8471 3026.6340 0.0000 0.0000 52168.6633 -109654.2300 299.8140 -161822.8933 -109294.5401 299.1551 76.3997 105.2425 761320.7956 -14.3546 -14.5078 PRESSURE: 3137600 -321.236 221.491 -5.89895 221.491 227.074 128.78 -5.89819 128.78 -45.8381 GPRESSURE: 3137600 -269.509 201.596 101.175 304.464 277.464 211.596 21.451 -38.6725 -20.5983 PRESSAVG: 3137600 -1.04951 -1.72402 13.3321 -1.72403 21.7924 0.034903 13.3322 0.0348993 34.8611 GPRESSAVG: 3137600 -1.3128 -3.28612 12.2929 -1.37013 21.2964 -0.194178 17.1694 -2.73617 36.0023 TIMING: 3137600 CPU: 9915.59, 0.00314262/step Wall: 9915.59, 0.00314262/step, 1.62578 hours remaining, 239.386719 MB of memory in use. ENERGY: 3137600 3949.7079 20465.3232 14447.5240 250.4255 -203186.6342 2367.4458 0.0000 0.0000 52148.5523 -109557.6555 299.6984 -161706.2078 -109199.0152 299.0914 -46.6668 -4.2145 761626.9433 18.5346 18.6620 PRESSURE: 3137800 126.667 -44.1268 96.1738 -44.1266 -397.61 -147.221 96.1735 -147.221 -625.973 GPRESSURE: 3137800 121.389 -78.5497 50.5139 -70.4035 -349.673 -93.4189 178.158 -243.328 -562.656 PRESSAVG: 3137800 24.9979 -51.5045 -27.82 -51.5045 -59.8839 7.14462 -27.82 7.14465 2.01915 GPRESSAVG: 3137800 24.8495 -50.9408 -27.4642 -51.3011 -60.387 9.04525 -27.3118 10.0356 2.9942 TIMING: 3137800 CPU: 9916.21, 0.0031327/step Wall: 9916.21, 0.0031327/step, 1.62048 hours remaining, 239.386719 MB of memory in use. ENERGY: 3137800 4010.3031 20556.4325 14331.8461 236.3459 -203495.6157 2593.9425 0.0000 0.0000 52197.8288 -109568.9168 299.9816 -161766.7457 -109206.0296 298.9599 -298.9720 -263.6469 761642.2922 -10.9556 -10.8477 PRESSURE: 3138000 -71.0718 55.745 59.9471 55.7454 -307.927 -133.757 59.9466 -133.758 -246.989 GPRESSURE: 3138000 -38.4531 14.5931 33.4038 -12.4487 -274.835 -80.7264 69.179 -39.2348 -237.325 PRESSAVG: 3138000 2.56756 12.4775 17.4514 12.4774 -11.7181 55.124 17.4515 55.124 2.78506 GPRESSAVG: 3138000 2.23215 10.7494 16.7161 12.11 -10.5456 54.1587 14.8833 55.5501 1.45675 TIMING: 3138000 CPU: 9916.85, 0.00316339/step Wall: 9916.85, 0.00316339/step, 1.63617 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3138000 3976.6620 20485.9960 14349.2317 268.5415 -203364.5908 2690.7641 0.0000 0.0000 52204.2800 -109389.1155 300.0187 -161593.3955 -109013.3732 299.2384 -208.6625 -183.5376 760797.6189 -2.1218 -2.2856 PRESSURE: 3138200 -158.897 -42.2091 -49.5401 -42.2092 71.6917 205.682 -49.5396 205.683 73.8125 GPRESSURE: 3138200 -71.8102 50.191 -38.1396 -4.70779 59.6002 200.108 19.2374 115.094 84.2634 PRESSAVG: 3138200 -14.746 -16.881 -1.82203 -16.8809 13.2119 47.9767 -1.82204 47.9767 5.66052 GPRESSAVG: 3138200 -15.1458 -13.6667 -2.66994 -15.9366 12.6808 47.4274 0.336793 46.6782 7.04412 TIMING: 3138200 CPU: 9917.47, 0.00313709/step Wall: 9917.47, 0.00313709/step, 1.6224 hours remaining, 239.386719 MB of memory in use. ENERGY: 3138200 4024.5805 20580.1373 14358.0197 244.0546 -203462.3938 2630.1994 0.0000 0.0000 52404.4360 -109220.9663 301.1690 -161625.4023 -108857.4506 299.3725 -4.4641 24.0178 760663.5858 1.3755 1.5264 PRESSURE: 3138400 227.108 124.998 67.2564 124.998 207.083 -30.311 67.2561 -30.3097 -279.553 GPRESSURE: 3138400 286.464 96.5538 53.9168 39.8803 189.365 -37.3749 116.687 57.9088 -240.725 PRESSAVG: 3138400 13.7141 18.4061 17.6088 18.4061 -25.7953 -10.7822 17.6088 -10.7823 -5.11226 GPRESSAVG: 3138400 13.7169 15.2901 19.1348 19.1697 -24.8376 -11.0048 16.5924 -10.9393 -6.01253 TIMING: 3138400 CPU: 9918.1, 0.00314404/step Wall: 9918.1, 0.00314404/step, 1.62582 hours remaining, 239.386719 MB of memory in use. ENERGY: 3138400 3960.5711 20535.5263 14482.2817 230.8865 -203309.7715 2684.0525 0.0000 0.0000 52045.9149 -109370.5386 299.1086 -161416.4534 -109012.6037 299.8114 51.5460 78.3679 759729.2394 -5.7312 -5.7111 PRESSURE: 3138600 -215.567 -13.8112 209.352 -13.8119 -102.895 -67.1646 209.352 -67.1648 -354.708 GPRESSURE: 3138600 -119.379 -70.9185 223.844 -0.275651 -85.9303 -87.2713 192.046 -175.036 -360.503 PRESSAVG: 3138600 -39.9613 -41.0745 26.2503 -41.0746 1.31892 -27.5379 26.2504 -27.5378 11.4103 GPRESSAVG: 3138600 -38.6592 -39.6689 26.0549 -43.9585 1.37747 -28.5672 26.5989 -26.5046 10.5249 TIMING: 3138600 CPU: 9918.73, 0.00314383/step Wall: 9918.73, 0.00314383/step, 1.62554 hours remaining, 239.386719 MB of memory in use. ENERGY: 3138600 4029.9760 20500.4792 14368.7258 242.0484 -203072.2445 2484.4703 0.0000 0.0000 52191.8846 -109254.6601 299.9475 -161446.5447 -108887.4212 299.8887 -224.3904 -188.6040 761413.4477 -9.0774 -8.9190 PRESSURE: 3138800 -360.814 84.3511 -111.284 84.3507 125.48 -4.66213 -111.283 -4.66148 -156.271 GPRESSURE: 3138800 -248.336 149.186 -68.7787 32.9367 69.1246 -68.0822 -129.31 -31.8286 -138.753 PRESSAVG: 3138800 24.052 -2.48696 4.9592 -2.48697 -18.7537 -38.279 4.95921 -38.279 16.9673 GPRESSAVG: 3138800 23.6872 -2.84228 5.46892 -1.9372 -19.5995 -36.7548 5.08487 -37.0932 18.0767 TIMING: 3138800 CPU: 9919.36, 0.0031538/step Wall: 9919.36, 0.0031538/step, 1.63052 hours remaining, 239.386719 MB of memory in use. ENERGY: 3138800 4003.1632 20464.2787 14409.3118 273.5013 -203366.0378 2596.7376 0.0000 0.0000 52125.0794 -109493.9660 299.5635 -161619.0454 -109129.6790 299.7453 -130.5348 -105.9882 761233.2106 7.4219 7.3881 PRESSURE: 3139000 115.288 106.582 78.8085 106.583 129.025 249.737 78.8085 249.736 158.842 GPRESSURE: 3139000 195.157 207.437 -97.474 88.1041 152.241 254.346 -48.0319 146.363 131.843 PRESSAVG: 3139000 26.8477 9.14295 17.6694 9.143 7.06734 -4.11318 17.6694 -4.11317 -19.1553 GPRESSAVG: 3139000 27.1651 9.28385 18.8044 10.5078 6.62764 -4.69611 17.1386 -7.27204 -19.8578 TIMING: 3139000 CPU: 9919.99, 0.00314738/step Wall: 9919.99, 0.00314738/step, 1.62702 hours remaining, 239.386719 MB of memory in use. ENERGY: 3139000 3987.0166 20566.6050 14447.1525 245.3993 -203519.4474 2759.2790 0.0000 0.0000 51895.8465 -109618.1485 298.2461 -161513.9950 -109259.5747 298.7503 134.3850 159.7470 759745.7329 4.9199 4.6450 PRESSURE: 3139200 44.3375 -17.8529 -188.849 -17.8529 13.2573 -128.027 -188.85 -128.026 44.3994 GPRESSURE: 3139200 55.2325 130.018 -152.943 108.038 85.4169 -19.3539 -187.315 -169.561 30.3567 PRESSAVG: 3139200 0.182369 -4.96296 36.6183 -4.96291 45.6909 9.56519 36.6184 9.56528 -14.7546 GPRESSAVG: 3139200 -1.48715 -5.45033 36.1924 -5.13645 46.8056 10.4727 34.6221 11.119 -14.3338 TIMING: 3139200 CPU: 9920.62, 0.00315178/step Wall: 9920.62, 0.00315178/step, 1.62912 hours remaining, 239.386719 MB of memory in use. ENERGY: 3139200 3990.0484 20603.1894 14392.4226 268.3113 -203801.2583 2955.2246 0.0000 0.0000 52018.1918 -109573.8703 298.9493 -161592.0620 -109207.8794 298.7761 33.9981 57.0020 760740.7297 10.3729 10.3282 PRESSURE: 3139400 102.134 -65.6159 -102.749 -65.6167 267.565 29.8253 -102.749 29.826 81.3468 GPRESSURE: 3139400 185.63 -82.9685 -108.978 18.8431 161.312 9.27362 -150.649 139.778 191.776 PRESSAVG: 3139400 16.6397 -24.6533 0.81575 -24.6533 7.45626 -10.1943 0.81578 -10.1943 10.3267 GPRESSAVG: 3139400 17.2555 -26.4542 2.59832 -21.5445 6.06126 -8.57218 3.30267 -11.3274 11.5834 TIMING: 3139400 CPU: 9921.25, 0.00315705/step Wall: 9921.25, 0.00315705/step, 1.63167 hours remaining, 239.386719 MB of memory in use. ENERGY: 3139400 3974.9867 20711.2323 14447.7715 252.8524 -203248.4250 2570.6845 0.0000 0.0000 51955.9433 -109334.9543 298.5915 -161290.8976 -108981.8743 299.4999 150.3486 179.5727 760460.2011 11.4742 11.6334 PRESSURE: 3139600 -13.6748 113.298 113.885 113.298 -134.265 -68.9091 113.885 -68.9093 -17.433 GPRESSURE: 3139600 -12.8278 61.0499 104.047 67.7297 -43.8238 -39.6983 31.2775 -18.3788 -22.6131 PRESSAVG: 3139600 56.6173 -26.5394 -24.8646 -26.5395 -25.2544 7.94781 -24.8646 7.94783 -16.7151 GPRESSAVG: 3139600 57.6348 -27.165 -26.7344 -29.2262 -26.1298 5.43306 -25.7133 9.17424 -17.1964 TIMING: 3139600 CPU: 9921.88, 0.00315961/step Wall: 9921.88, 0.00315961/step, 1.63282 hours remaining, 239.386719 MB of memory in use. ENERGY: 3139600 3980.1445 20712.0083 14426.4831 232.8434 -203152.0405 2391.9214 0.0000 0.0000 51947.7053 -109460.9346 298.5442 -161408.6399 -109095.2259 299.4629 -55.1243 -26.4216 761171.8796 4.8826 4.7695 PRESSURE: 3139800 82.1256 95.785 -166.419 95.785 193.285 53.0088 -166.419 53.0074 351.142 GPRESSURE: 3139800 236.56 104.099 -196.303 71.9879 167.119 46.1434 -246.781 -34.2217 304.629 PRESSAVG: 3139800 12.1089 40.9908 -38.2979 40.9909 7.49 -15.7676 -38.2979 -15.7676 5.51411 GPRESSAVG: 3139800 12.7274 42.2482 -37.9447 40.784 9.03285 -15.7452 -39.2648 -15.9597 3.83614 TIMING: 3139800 CPU: 9922.52, 0.00317588/step Wall: 9922.52, 0.00317588/step, 1.64105 hours remaining, 239.386719 MB of memory in use. ENERGY: 3139800 4039.9354 20463.2775 14444.3087 251.6675 -203621.1356 2661.2371 0.0000 0.0000 51998.4571 -109762.2522 298.8358 -161760.7094 -109394.1718 299.3156 208.8509 236.1027 761072.9885 8.3710 8.5321 PRESSURE: 3140000 86.3013 -15.1602 -202.408 -15.1597 17.7918 -75.4401 -202.408 -75.4404 113.33 GPRESSURE: 3140000 109.685 31.5384 -107.757 -29.1186 -23.7614 37.7328 -60.1966 -85.6893 195.84 PRESSAVG: 3140000 -10.9326 47.6318 -42.9082 47.6319 22.3786 7.34982 -42.9082 7.34974 3.69925 GPRESSAVG: 3140000 -12.4962 49.5448 -42.6043 46.6094 21.5489 9.33128 -41.0489 7.76208 5.4762 TIMING: 3140000 CPU: 9923.15, 0.00316777/step Wall: 9923.15, 0.00316777/step, 1.63668 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3140000 3933.4209 20637.0339 14465.7072 245.0571 -203365.2375 2536.5404 0.0000 0.0000 51852.6323 -109694.8457 297.9978 -161547.4780 -109340.8537 298.8762 72.4743 93.9213 760550.1818 5.0484 4.8430 PRESSURE: 3140200 -231.883 -140.902 -101.196 -140.902 180.9 299.428 -101.196 299.429 -276.3 GPRESSURE: 3140200 -188.967 -158.861 -49.4034 -176.083 217.022 208.322 -260.382 283.138 -258.662 PRESSAVG: 3140200 -8.77345 -51.1365 -31.3551 -51.1365 7.8074 19.9036 -31.355 19.9037 -3.70073 GPRESSAVG: 3140200 -7.52621 -52.0935 -33.1716 -49.491 7.55662 16.9903 -33.2902 19.6493 -4.50258 TIMING: 3140200 CPU: 9923.79, 0.00316568/step Wall: 9923.79, 0.00316568/step, 1.63543 hours remaining, 239.386719 MB of memory in use. ENERGY: 3140200 4036.0036 20525.8776 14414.1258 250.6760 -203379.9774 2507.0845 0.0000 0.0000 51848.2782 -109797.9317 297.9728 -161646.2099 -109436.4688 298.6453 -109.0943 -76.8689 761363.5976 -1.5556 -1.4907 LDB: ============= START OF LOAD BALANCING ============== 9936.19 LDB: ============== END OF LOAD BALANCING =============== 9936.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9936.19 LDB: ============= START OF LOAD BALANCING ============== 9936.5 LDB: Largest compute 7031 load 0.031612 is 16.1% of average load 0.196110 LDB: Average compute 0.004364 is 2.2% of average load 0.196110 LDB: TIME 9936.51 LOAD: AVG 0.19611 MAX 0.213081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 9936.51 LOAD: AVG 0.19611 MAX 0.213081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 9936.51 LOAD: AVG 0.19611 MAX 0.213081 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 9936.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9936.51 PRESSURE: 3140400 -16.4714 -49.0911 14.5739 -49.0908 -112.457 31.4377 14.5745 31.4382 36.6122 GPRESSURE: 3140400 5.49293 -50.6178 55.5884 -98.6896 -26.4748 4.12202 -20.2354 48.0769 20.519 PRESSAVG: 3140400 -1.8601 -20.7448 -46.4942 -20.7448 -4.66872 -12.5639 -46.4942 -12.5638 2.05352 GPRESSAVG: 3140400 -1.70468 -21.1701 -46.8111 -22.0617 -4.35877 -11.1514 -43.6838 -12.9163 1.57792 TIMING: 3140400 CPU: 9924.43, 0.00323027/step Wall: 9924.43, 0.00323027/step, 1.66862 hours remaining, 238.613281 MB of memory in use. ENERGY: 3140400 3952.5199 20354.8167 14427.2045 246.2472 -203229.6256 2357.8703 0.0000 0.0000 52206.2527 -109684.7143 300.0301 -161890.9670 -109321.9102 298.4160 -30.7720 -0.1543 761031.9872 -1.4918 -1.4952 PRESSURE: 3140600 -38.6953 75.4906 -318.07 75.4904 163.226 291.78 -318.071 291.78 283.261 GPRESSURE: 3140600 -43.7097 90.0257 -282.657 123.131 204.808 201.187 -281.76 343.553 331.864 PRESSAVG: 3140600 44.1255 6.28158 1.24219 6.28159 -46.9014 -7.08164 1.2422 -7.08165 -2.66943 GPRESSAVG: 3140600 43.2398 6.58276 1.87353 5.5298 -46.9463 -5.60917 -0.497739 -7.25181 -2.04565 TIMING: 3140600 CPU: 9925.07, 0.00317303/step Wall: 9925.07, 0.00317303/step, 1.63887 hours remaining, 238.613281 MB of memory in use. ENERGY: 3140600 4001.7558 20396.1171 14432.1854 227.2654 -203400.5743 2734.4248 0.0000 0.0000 51929.0732 -109679.7527 298.4371 -161608.8258 -109329.1025 299.2486 135.9308 164.3207 761335.9420 -1.8151 -1.9174 PRESSURE: 3140800 207.365 -1.41172 129.161 -1.41202 -120.804 156.611 129.162 156.611 164.378 GPRESSURE: 3140800 226.047 66.9553 94.8266 -82.241 -47.5265 91.0649 243.101 249.25 136.118 PRESSAVG: 3140800 14.1914 -11.899 2.83306 -11.899 -45.1795 16.0095 2.83306 16.0094 -1.72122 GPRESSAVG: 3140800 14.181 -11.8404 2.43304 -11.4904 -45.1993 14.4327 5.67904 15.4305 -2.00344 TIMING: 3140800 CPU: 9925.7, 0.00316543/step Wall: 9925.7, 0.00316543/step, 1.63477 hours remaining, 238.613281 MB of memory in use. ENERGY: 3140800 3936.5169 20433.7730 14436.9405 242.9649 -203522.2010 2898.6586 0.0000 0.0000 51871.5853 -109701.7617 298.1067 -161573.3470 -109336.0317 298.3960 83.6464 104.8797 760942.1221 -10.9031 -11.0072 PRESSURE: 3141000 -204.226 36.7386 -76.598 36.7382 -264.455 10.69 -76.5968 10.6906 -72.0597 GPRESSURE: 3141000 -168.577 -14.8578 -125.942 23.9359 -191.466 -116.805 -215.263 25.4868 -95.9043 PRESSAVG: 3141000 3.79327 -9.73035 -10.4837 -9.73029 22.3113 -8.63386 -10.4837 -8.63388 16.6734 GPRESSAVG: 3141000 4.52413 -10.5783 -9.96907 -9.29829 21.6439 -10.0327 -11.9238 -5.35472 17.1593 TIMING: 3141000 CPU: 9926.33, 0.00315751/step Wall: 9926.33, 0.00315751/step, 1.63051 hours remaining, 238.613281 MB of memory in use. ENERGY: 3141000 4009.8735 20390.6729 14388.5979 259.9578 -203433.0661 2654.6377 0.0000 0.0000 51869.5179 -109859.8084 298.0948 -161729.3263 -109503.0194 298.1141 -180.2468 -151.9826 759620.3589 14.2593 14.4424 PRESSURE: 3141200 3.57852 101.949 23.0723 101.949 -195.766 82.6024 23.0728 82.6023 293.936 GPRESSURE: 3141200 47.9411 18.6273 22.8102 120.303 -117.635 61.9547 43.3004 -7.03375 213.162 PRESSAVG: 3141200 28.1327 -9.32511 -34.5723 -9.32515 -17.7649 10.1708 -34.5723 10.1709 -16.4079 GPRESSAVG: 3141200 27.7743 -10.7791 -35.5222 -9.6806 -17.5461 11.7536 -33.7319 7.74968 -16.3108 TIMING: 3141200 CPU: 9926.96, 0.00316461/step Wall: 9926.96, 0.00316461/step, 1.634 hours remaining, 238.613281 MB of memory in use. ENERGY: 3141200 3941.9916 20413.6105 14427.7314 244.8951 -203496.7816 2451.1012 0.0000 0.0000 52259.9299 -109757.5218 300.3385 -162017.4517 -109397.4582 297.8993 33.9160 47.8226 760986.9282 -2.0134 -2.0275 PRESSURE: 3141400 263.61 -20.4471 -26.1835 -20.4469 125.924 19.0661 -26.183 19.0657 125.125 GPRESSURE: 3141400 307.714 -13.3889 -77.1237 -14.6184 109.209 -21.6834 1.04866 88.6532 173.948 PRESSAVG: 3141400 41.1277 -47.2732 62.1186 -47.2731 -6.50958 13.2708 62.1186 13.2708 10.8885 GPRESSAVG: 3141400 41.4971 -44.8075 63.3943 -45.908 -5.9685 14.777 60.7471 14.4052 10.6124 TIMING: 3141400 CPU: 9927.6, 0.00317313/step Wall: 9927.6, 0.00317313/step, 1.63822 hours remaining, 238.613281 MB of memory in use. ENERGY: 3141400 3952.0018 20395.0412 14472.0382 231.5924 -203678.5342 2801.2129 0.0000 0.0000 52094.4305 -109732.2172 299.3874 -161826.6477 -109368.7503 298.5657 171.5530 196.9571 759763.2097 15.1689 15.3803 PRESSURE: 3141600 246.704 -109.972 49.351 -109.973 97.118 13.2242 49.3501 13.2248 112.068 GPRESSURE: 3141600 292.104 -60.5443 115.267 -161.252 55.3074 21.4932 -51.4213 -9.33012 205.125 PRESSAVG: 3141600 21.7725 -73.9157 20.1985 -73.9157 14.8879 -11.0502 20.1985 -11.0503 12.5174 GPRESSAVG: 3141600 21.7808 -72.6769 19.0743 -75.4996 13.9321 -12.538 20.8927 -11.8935 13.7183 TIMING: 3141600 CPU: 9928.23, 0.00317018/step Wall: 9928.23, 0.00317018/step, 1.63652 hours remaining, 238.613281 MB of memory in use. ENERGY: 3141600 3873.5387 20411.1883 14378.2015 234.7494 -203022.2454 2443.8064 0.0000 0.0000 51828.3580 -109852.4032 297.8583 -161680.7612 -109487.7240 298.5159 151.9635 184.1787 760357.8171 16.3926 16.4770 PRESSURE: 3141800 -220.296 -266.133 -37.9614 -266.132 -290.049 23.7237 -37.9624 23.7244 312.917 GPRESSURE: 3141800 -235.95 -128.177 -83.8828 -204.687 -177.655 28.1709 13.1155 84.5505 314.364 PRESSAVG: 3141800 -84.943 -13.8006 -19.9691 -13.8006 43.7201 -16.6184 -19.9691 -16.6185 -1.46772 GPRESSAVG: 3141800 -85.2808 -14.7873 -18.4282 -13.3886 45.7872 -15.508 -22.5499 -16.7602 -3.23123 TIMING: 3141800 CPU: 9928.87, 0.0031714/step Wall: 9928.87, 0.0031714/step, 1.63697 hours remaining, 238.613281 MB of memory in use. ENERGY: 3141800 4011.0225 20386.6010 14374.3038 268.3658 -203549.2025 2777.9451 0.0000 0.0000 51907.1578 -109823.8065 298.3111 -161730.9642 -109462.0583 297.8933 -65.8092 -33.0803 762164.4961 -14.2302 -14.2416 PRESSURE: 3142000 108.254 -157.405 -238.112 -157.406 57.4055 -111.287 -238.112 -111.287 247.262 GPRESSURE: 3142000 167.595 -217.085 -274.212 -169.403 43.4066 -101.717 -124.479 -93.6877 291.163 PRESSAVG: 3142000 -36.8069 -31.2039 -20.3448 -31.2038 18.9451 -29.6586 -20.3449 -29.6586 2.89831 GPRESSAVG: 3142000 -36.2468 -31.7142 -20.3145 -31.9609 17.1066 -29.6348 -18.2957 -27.0039 4.04466 TIMING: 3142000 CPU: 9929.5, 0.00318269/step Wall: 9929.5, 0.00318269/step, 1.64262 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3142000 3999.6012 20450.0904 14338.4756 243.5749 -203623.3684 2897.7979 0.0000 0.0000 51879.9608 -109813.8676 298.1548 -161693.8284 -109455.9761 298.7197 137.6405 167.3884 762407.1953 -4.9878 -5.0319 PRESSURE: 3142200 -122.577 -91.6629 42.0593 -91.6631 370.488 441.295 42.0595 441.294 71.7274 GPRESSURE: 3142200 -136.189 -60.1425 26.3627 -128.107 401.217 400.882 23.8067 306.375 141.755 PRESSAVG: 3142200 -20.5199 15.8991 -16.2907 15.899 11.9213 -0.974215 -16.2906 -0.974194 -4.80882 GPRESSAVG: 3142200 -20.8475 16.1011 -15.8393 18.0166 13.0771 -1.73448 -15.7145 -4.63887 -5.58432 TIMING: 3142200 CPU: 9930.13, 0.00315024/step Wall: 9930.13, 0.00315024/step, 1.6257 hours remaining, 238.613281 MB of memory in use. ENERGY: 3142200 4010.7592 20379.1972 14347.6793 241.1913 -203434.8954 2570.2459 0.0000 0.0000 51831.9771 -110053.8454 297.8791 -161885.8225 -109704.2409 298.5251 106.5461 135.5944 761075.5090 -4.4691 -4.4516 PRESSURE: 3142400 3.3386 -202.133 117.809 -202.135 90.2473 -193.873 117.809 -193.872 91.7183 GPRESSURE: 3142400 48.0495 -216.487 243.041 -10.7643 97.4996 -127.445 -101.383 -182.675 116.174 PRESSAVG: 3142400 -12.1639 -56.9646 3.51925 -56.9645 25.9602 -27.3485 3.51923 -27.3485 30.291 GPRESSAVG: 3142400 -11.7895 -55.1426 1.99621 -58.7568 25.5801 -24.9798 4.21966 -26.1399 30.5231 TIMING: 3142400 CPU: 9930.76, 0.0031513/step Wall: 9930.76, 0.0031513/step, 1.62607 hours remaining, 238.613281 MB of memory in use. ENERGY: 3142400 3928.3992 20306.4940 14358.5290 237.6424 -203300.8508 2563.9612 0.0000 0.0000 51864.7806 -110041.0444 298.0676 -161905.8250 -109682.2602 298.1720 61.7680 87.2409 761078.7418 14.6957 14.7713 PRESSURE: 3142600 101.269 -60.2935 138.418 -60.2934 283.546 -101.241 138.418 -101.24 -76.7066 GPRESSURE: 3142600 193.634 -84.2034 135.771 -69.6399 325.12 -91.0011 27.811 -59.1724 -122.053 PRESSAVG: 3142600 9.84082 -25.9314 -43.5447 -25.9313 -1.16383 1.65947 -43.5447 1.65945 10.7611 GPRESSAVG: 3142600 9.91006 -27.7692 -42.7419 -26.1677 -1.9377 0.514471 -44.1786 4.64647 11.0542 TIMING: 3142600 CPU: 9931.4, 0.00318903/step Wall: 9931.4, 0.00318903/step, 1.64536 hours remaining, 238.613281 MB of memory in use. ENERGY: 3142600 3935.0904 20378.1786 14365.4726 256.2643 -203386.6479 2529.3077 0.0000 0.0000 51991.8647 -109930.4696 298.7980 -161922.3343 -109567.1485 298.3511 102.7029 132.2339 759692.2782 6.4794 6.3422 PRESSURE: 3142800 71.3022 175.541 -24.1088 175.54 96.5169 -46.1636 -24.1081 -46.1635 60.4139 GPRESSURE: 3142800 110.645 246.399 -17.9606 115.625 129.334 -79.9649 -201.009 -25.3174 73.8102 PRESSAVG: 3142800 -23.443 -32.6321 -1.77646 -32.6322 34.0675 23.6412 -1.77644 23.6413 24.1557 GPRESSAVG: 3142800 -23.3561 -33.8398 -0.94529 -31.6622 34.0542 23.3098 -5.81903 23.4179 24.1117 TIMING: 3142800 CPU: 9932.04, 0.00317454/step Wall: 9932.04, 0.00317454/step, 1.63771 hours remaining, 238.613281 MB of memory in use. ENERGY: 3142800 3962.5396 20277.1874 14359.8441 256.0164 -203392.3481 2538.5888 0.0000 0.0000 51810.1582 -110188.0135 297.7537 -161998.1717 -109832.2723 297.7645 76.0777 104.5962 760744.9960 11.5934 11.6033 PRESSURE: 3143000 -145.483 -179.896 -68.9383 -179.895 -155.988 27.4322 -68.9389 27.4324 -224.946 GPRESSURE: 3143000 -92.9168 -141.095 16.9834 -131.905 -170.896 10.588 -117.466 -65.0267 -178.939 PRESSAVG: 3143000 54.7392 -34.7325 -50.5798 -34.7324 -58.2176 2.92653 -50.5798 2.92655 -12.5102 GPRESSAVG: 3143000 53.9909 -34.3154 -51.87 -33.5953 -58.4378 2.25569 -46.8783 0.0451855 -11.3838 TIMING: 3143000 CPU: 9932.67, 0.00315362/step Wall: 9932.67, 0.00315362/step, 1.62674 hours remaining, 238.613281 MB of memory in use. ENERGY: 3143000 3930.5256 20395.6667 14423.3699 227.2502 -203593.1531 2692.0363 0.0000 0.0000 51793.5814 -110130.7231 297.6584 -161924.3045 -109764.6372 298.0583 -175.4723 -147.5837 761523.2916 -5.3295 -5.2769 PRESSURE: 3143200 141.995 14.4441 -90.6397 14.4438 -112.938 -7.38786 -90.6385 -7.38752 28.0903 GPRESSURE: 3143200 115.416 -5.92626 -54.1753 12.8048 28.9303 43.7815 -85.4029 44.467 -15.9936 PRESSAVG: 3143200 -16.6213 -49.8786 -43.6711 -49.8786 0.429978 -1.74122 -43.6709 -1.74121 -4.64128 GPRESSAVG: 3143200 -16.28 -50.7625 -44.2468 -48.0401 1.33594 -2.40883 -41.8599 -0.319402 -5.34205 TIMING: 3143200 CPU: 9933.3, 0.00315899/step Wall: 9933.3, 0.00315899/step, 1.62934 hours remaining, 238.613281 MB of memory in use. ENERGY: 3143200 3957.5232 20240.8369 14395.2136 228.0439 -203728.7426 2610.8710 0.0000 0.0000 52006.2853 -110289.9687 298.8808 -162296.2540 -109938.3520 297.6538 19.0492 42.7842 760043.0918 -6.9442 -6.7620 PRESSURE: 3143400 378.14 -226.387 -154.468 -226.387 110.151 105.973 -154.467 105.972 39.6389 GPRESSURE: 3143400 336.673 -273.86 -162.581 -257.233 166.487 109.916 -94.7311 34.7908 110.07 PRESSAVG: 3143400 -5.24449 -71.5019 -48.8609 -71.502 -17.1844 34.7734 -48.8609 34.7734 -10.9977 GPRESSAVG: 3143400 -4.77455 -69.8346 -48.3977 -73.9099 -17.8214 35.4675 -50.2706 33.5712 -10.6114 TIMING: 3143400 CPU: 9933.93, 0.00315122/step Wall: 9933.93, 0.00315122/step, 1.62515 hours remaining, 238.613281 MB of memory in use. ENERGY: 3143400 3970.9386 20436.9983 14305.7815 258.1472 -203497.3906 2607.5047 0.0000 0.0000 51769.5061 -110148.5142 297.5201 -161918.0202 -109794.2488 297.5107 175.9767 204.4103 760686.7126 -11.1422 -11.0691 PRESSURE: 3143600 54.9804 -104.576 134.455 -104.577 -58.9061 -84.6425 134.455 -84.6424 -236.705 GPRESSURE: 3143600 152.403 -109.931 121.298 -109.897 -56.834 1.39298 67.141 -4.99328 -248.128 PRESSAVG: 3143600 -15.117 -47.3656 -13.7257 -47.3656 2.46045 -9.43656 -13.7257 -9.43661 7.01865 GPRESSAVG: 3143600 -15.0244 -47.14 -14.8192 -48.3025 2.41305 -9.02844 -12.6892 -8.35557 7.13871 TIMING: 3143600 CPU: 9934.56, 0.00313872/step Wall: 9934.56, 0.00313872/step, 1.61854 hours remaining, 238.613281 MB of memory in use. ENERGY: 3143600 4051.2116 20337.0740 14325.5046 247.4255 -203566.9490 2821.9971 0.0000 0.0000 51819.0844 -109964.6519 297.8050 -161783.7363 -109609.4682 298.2295 -80.2102 -50.8529 761220.3861 -1.8793 -1.8242 PRESSURE: 3143800 309.705 74.2341 -116.464 74.234 -170.15 -78.7968 -116.464 -78.7954 -141.523 GPRESSURE: 3143800 332.393 141.575 -113.205 -22.1251 -88.1052 26.6421 -29.2008 5.86006 -154.408 PRESSAVG: 3143800 -14.0898 -65.9617 -51.987 -65.9617 14.3891 7.95848 -51.987 7.95842 13.8445 GPRESSAVG: 3143800 -14.1614 -68.071 -49.825 -65.1253 14.7812 6.95118 -55.3805 9.07715 13.0883 TIMING: 3143800 CPU: 9935.19, 0.00314989/step Wall: 9935.19, 0.00314989/step, 1.62412 hours remaining, 238.613281 MB of memory in use. ENERGY: 3143800 4057.3290 20368.1542 14368.6765 248.4684 -204326.0675 3209.3524 0.0000 0.0000 51984.3285 -110089.7585 298.7547 -162074.0870 -109736.1414 297.9779 -0.6556 29.9599 761034.6972 4.7146 4.5694 PRESSURE: 3144000 -21.9101 6.645 172.808 6.64478 -110.489 200.151 172.808 200.151 -24.7142 GPRESSURE: 3144000 48.4656 -68.4259 93.8119 41.6042 -69.2768 172.714 174.553 70.0822 -54.0697 PRESSAVG: 3144000 21.8732 -72.3732 -14.0591 -72.3732 -39.3757 12.6342 -14.0591 12.6341 5.13963 GPRESSAVG: 3144000 20.7994 -69.8089 -15.2728 -73.1096 -39.1026 13.8095 -12.5633 11.2155 5.26 TIMING: 3144000 CPU: 9935.82, 0.00315988/step Wall: 9935.82, 0.00315988/step, 1.62909 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3144000 3966.8938 20465.9002 14411.3014 241.7841 -203565.6339 2508.1241 0.0000 0.0000 51994.6567 -109976.9736 298.8140 -161971.6303 -109621.8127 298.3771 -52.3712 -24.9603 761160.1016 -4.1210 -4.3477 PRESSURE: 3144200 -8.67715 -91.3744 -34.7656 -91.3743 88.0999 141.291 -34.7661 141.291 -236.574 GPRESSURE: 3144200 110.172 -52.8524 16.2116 -178.536 87.6669 190.452 -80.9688 192.194 -239.04 PRESSAVG: 3144200 20.5081 -32.2417 25.5886 -32.2417 25.9713 45.3366 25.5886 45.3367 3.40382 GPRESSAVG: 3144200 20.8435 -33.4578 25.5258 -32.7857 24.1348 43.953 24.1539 46.5428 4.47563 TIMING: 3144200 CPU: 9936.45, 0.00315362/step Wall: 9936.45, 0.00315362/step, 1.62569 hours remaining, 238.613281 MB of memory in use. ENERGY: 3144200 3944.7596 20462.9692 14382.7189 247.2464 -203838.8548 2837.1614 0.0000 0.0000 52066.5001 -109897.4991 299.2269 -161963.9993 -109535.5725 298.9406 -52.3838 -13.7339 761145.2960 16.6278 16.4847 LDB: ============= START OF LOAD BALANCING ============== 9948.85 LDB: ============== END OF LOAD BALANCING =============== 9948.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9948.85 LDB: ============= START OF LOAD BALANCING ============== 9949.17 LDB: Largest compute 7034 load 0.030873 is 15.7% of average load 0.196126 LDB: Average compute 0.004384 is 2.2% of average load 0.196126 LDB: TIME 9949.17 LOAD: AVG 0.196126 MAX 0.217775 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 9949.17 LOAD: AVG 0.196126 MAX 0.217775 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 9949.17 LOAD: AVG 0.196126 MAX 0.217775 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 9949.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9949.18 PRESSURE: 3144400 -62.5788 6.47341 -89.1852 6.47353 324.422 -118.404 -89.1853 -118.406 397.398 GPRESSURE: 3144400 -40.3287 -13.2928 -9.01826 20.0312 466.822 -62.0873 -104.067 -131.115 328.217 PRESSAVG: 3144400 -24.1816 -43.8911 9.72914 -43.8912 56.0202 53.9377 9.72913 53.9377 -2.0768 GPRESSAVG: 3144400 -24.3582 -42.5547 8.77059 -43.1526 57.2416 52.9784 9.24766 54.8694 -2.87741 TIMING: 3144400 CPU: 9937.1, 0.00322975/step Wall: 9937.1, 0.00322975/step, 1.66476 hours remaining, 239.898438 MB of memory in use. ENERGY: 3144400 4035.4152 20516.1931 14359.3937 247.9178 -203703.4787 2710.4615 0.0000 0.0000 52073.4751 -109760.6223 299.2670 -161834.0973 -109397.2101 298.9324 219.7471 251.5701 760293.5391 9.9206 10.0020 PRESSURE: 3144600 60.1116 89.8606 231.391 89.8607 436.191 -97.7068 231.391 -97.7068 60.0471 GPRESSURE: 3144600 185.859 65.0657 236.414 109.229 358.35 -68.1962 279.732 -137.344 117.553 PRESSAVG: 3144600 -6.87641 4.52728 60.6769 4.52727 36.8741 -17.5514 60.6769 -17.5514 9.36251 GPRESSAVG: 3144600 -7.35676 4.51861 60.9346 4.66324 36.7981 -16.6691 63.605 -18.8447 10.279 TIMING: 3144600 CPU: 9937.73, 0.0031559/step Wall: 9937.73, 0.0031559/step, 1.62652 hours remaining, 239.898438 MB of memory in use. ENERGY: 3144600 4089.7599 20508.4473 14393.3703 244.7596 -204145.2300 2877.2887 0.0000 0.0000 52278.0565 -109753.5476 300.4427 -162031.6042 -109392.6506 299.2945 185.4498 220.5874 759147.5707 13.1201 13.2401 PRESSURE: 3144800 40.8802 71.8568 -37.8514 71.8569 -154.563 1.10874 -37.8514 1.10848 -62.2086 GPRESSURE: 3144800 34.5028 6.41409 -2.28035 45.9225 -50.1882 2.04813 -41.1599 77.5469 -84.9067 PRESSAVG: 3144800 -31.3502 -18.7534 3.90166 -18.7534 55.3899 -2.85901 3.90165 -2.85896 18.3963 GPRESSAVG: 3144800 -31.344 -18.8762 4.22852 -19.1552 54.9184 -2.67475 3.41822 -1.97848 17.8303 TIMING: 3144800 CPU: 9938.36, 0.00316067/step Wall: 9938.36, 0.00316067/step, 1.6288 hours remaining, 239.898438 MB of memory in use. ENERGY: 3144800 3965.2841 20621.7847 14444.4714 239.5281 -203878.7233 2772.2061 0.0000 0.0000 52055.2934 -109780.1555 299.1625 -161835.4489 -109413.2234 299.2474 -58.6306 -33.5307 760302.4805 14.1453 13.8016 PRESSURE: 3145000 -133.492 -116.768 -81.938 -116.768 21.9929 72.6776 -81.9381 72.6758 -280.236 GPRESSURE: 3145000 -41.3801 -217.497 -28.7203 -144.942 -29.85 -11.2545 -102.035 94.2124 -208.052 PRESSAVG: 3145000 -53.7674 0.563361 21.8159 0.563348 66.3215 18.9955 21.816 18.9955 -10.5636 GPRESSAVG: 3145000 -53.7641 1.9368 21.9486 1.55889 66.2247 18.1987 22.1859 18.8874 -10.2334 TIMING: 3145000 CPU: 9938.99, 0.00316774/step Wall: 9938.99, 0.00316774/step, 1.63226 hours remaining, 239.898438 MB of memory in use. ENERGY: 3145000 3922.4376 20692.1009 14492.3789 251.5961 -204010.1842 2819.4461 0.0000 0.0000 52108.3200 -109723.9046 299.4672 -161832.2245 -109370.1707 299.3555 -130.5783 -93.0941 760863.3082 0.6635 0.7424 PRESSURE: 3145200 353.575 160.075 124.239 160.076 77.9698 116.174 124.239 116.174 213.699 GPRESSURE: 3145200 468.627 106.376 186.214 236.94 87.0262 40.7653 90.0308 41.035 194.871 PRESSAVG: 3145200 1.09619 -28.4515 45.6027 -28.4516 -18.2283 -28.2817 45.6027 -28.2817 6.61748 GPRESSAVG: 3145200 0.325981 -30.6634 44.693 -30.1286 -17.7387 -28.5609 44.3453 -28.3074 7.16985 TIMING: 3145200 CPU: 9939.63, 0.0031743/step Wall: 9939.63, 0.0031743/step, 1.63547 hours remaining, 239.898438 MB of memory in use. ENERGY: 3145200 3941.2762 20507.5901 14412.9066 260.7261 -203873.2800 3020.9241 0.0000 0.0000 51779.8080 -109950.0489 297.5793 -161729.8569 -109595.3607 299.0990 215.0811 250.1749 759398.4982 -3.5049 -3.4143 PRESSURE: 3145400 56.63 201.777 -69.8596 201.777 -87.1918 51.5101 -69.8589 51.5101 -338.894 GPRESSURE: 3145400 44.1339 149.089 -138.492 238.05 -76.5453 155.943 29.2113 76.9826 -253.8 PRESSAVG: 3145400 7.92707 -1.71301 2.57051 -1.71295 26.8732 -14.524 2.57048 -14.524 8.07868 GPRESSAVG: 3145400 8.29498 -0.132138 2.66239 -1.39098 27.4883 -13.7423 4.27296 -14.2437 7.08203 TIMING: 3145400 CPU: 9940.26, 0.00315825/step Wall: 9940.26, 0.00315825/step, 1.62703 hours remaining, 239.898438 MB of memory in use. ENERGY: 3145400 3976.7685 20625.5726 14411.6932 264.2876 -203708.0969 2605.4210 0.0000 0.0000 51927.3375 -109897.0164 298.4271 -161824.3539 -109533.0358 298.8300 -123.1520 -95.4038 761743.5246 14.2930 14.2885 PRESSURE: 3145600 -84.6908 -152.744 156.034 -152.744 -256.555 139.392 156.034 139.393 185.269 GPRESSURE: 3145600 -51.4101 -101.695 81.9114 -58.6638 -195.014 133.383 125.443 -7.16361 173.142 PRESSAVG: 3145600 5.30301 -1.66632 3.03128 -1.6663 -10.3646 -22.5631 3.03132 -22.563 25.0084 GPRESSAVG: 3145600 4.77165 -1.38771 3.64164 -1.21866 -12.0873 -20.4496 1.02144 -23.9207 27.0471 TIMING: 3145600 CPU: 9940.89, 0.00315335/step Wall: 9940.89, 0.00315335/step, 1.62432 hours remaining, 239.898438 MB of memory in use. ENERGY: 3145600 3977.8042 20711.6954 14429.5306 231.4440 -204150.6473 3054.6669 0.0000 0.0000 51981.3827 -109764.1234 298.7377 -161745.5062 -109409.9852 299.0664 -51.9922 -24.4271 761320.8072 6.6489 6.5772 PRESSURE: 3145800 -241.315 138.526 246.734 138.526 -280.723 -129.483 246.733 -129.483 93.9773 GPRESSURE: 3145800 -171.989 110.318 189.1 48.4613 -271.159 -194.168 141.547 -86.3349 97.0517 PRESSAVG: 3145800 -14.9678 -52.6859 83.298 -52.6859 16.2182 22.3088 83.298 22.3088 10.8499 GPRESSAVG: 3145800 -14.9957 -53.375 82.8023 -51.6948 17.4889 20.4968 82.9495 22.467 10.2993 TIMING: 3145800 CPU: 9941.52, 0.00314924/step Wall: 9941.52, 0.00314924/step, 1.62203 hours remaining, 239.898438 MB of memory in use. ENERGY: 3145800 4039.8337 20670.1987 14390.9067 255.8621 -203927.3333 2857.0742 0.0000 0.0000 52075.9722 -109637.4858 299.2813 -161713.4580 -109283.1053 299.3857 -142.6870 -115.3654 760229.3933 4.0335 4.2642 PRESSURE: 3146000 -223.612 -101.774 -67.0424 -101.774 -41.0425 -254.819 -67.0421 -254.819 -357.224 GPRESSURE: 3146000 -115.107 -18.6651 -118.865 -36.1902 16.3191 -147.02 -46.9734 -198.341 -442.989 PRESSAVG: 3146000 -89.0879 -8.32251 47.6688 -8.32253 42.4831 -31.1583 47.6688 -31.1583 -21.9049 GPRESSAVG: 3146000 -88.5653 -7.17698 47.4142 -8.84108 42.8517 -31.3449 46.4173 -30.8826 -23.2842 TIMING: 3146000 CPU: 9942.15, 0.00315378/step Wall: 9942.15, 0.00315378/step, 1.6242 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3146000 4088.6937 20503.3270 14412.7032 257.1595 -203608.7648 2565.8350 0.0000 0.0000 51884.9012 -109896.1452 298.1832 -161781.0464 -109538.4399 299.0178 -207.2930 -180.5922 760709.1823 -22.8365 -22.9993 PRESSURE: 3146200 -343.529 24.131 127.981 24.1307 -140.175 85.0413 127.981 85.0415 -75.4454 GPRESSURE: 3146200 -230.671 26.0003 144.452 -51.0913 -255.587 9.04029 212.468 8.40368 20.8583 PRESSAVG: 3146200 -25.5198 -62.4195 28.3845 -62.4195 23.0549 76.9489 28.3844 76.9488 3.34124 GPRESSAVG: 3146200 -25.4544 -64.0586 27.8414 -63.1764 23.4086 75.7833 33.4397 75.7471 3.29834 TIMING: 3146200 CPU: 9942.78, 0.00315025/step Wall: 9942.78, 0.00315025/step, 1.62221 hours remaining, 239.898438 MB of memory in use. ENERGY: 3146200 4035.9931 20763.1141 14484.6190 239.6451 -203689.7149 2535.5963 0.0000 0.0000 51992.8858 -109637.8616 298.8038 -161630.7474 -109288.7246 298.9340 -186.3832 -155.1331 761272.8042 0.2921 0.4175 PRESSURE: 3146400 154.099 -156.616 -101.957 -156.616 38.2689 -6.3463 -101.957 -6.34533 702.517 GPRESSURE: 3146400 162.806 -78.4684 -33.1808 -174.542 98.5201 -79.9899 -210.559 3.24246 720.869 PRESSAVG: 3146400 -53.7135 -12.6146 -15.1793 -12.6147 13.9061 26.5068 -15.1793 26.5068 7.37013 GPRESSAVG: 3146400 -52.9496 -12.8678 -12.9954 -11.6089 13.272 26.4463 -19.0368 29.0948 7.75653 TIMING: 3146400 CPU: 9943.41, 0.00312616/step Wall: 9943.41, 0.00312616/step, 1.60962 hours remaining, 239.898438 MB of memory in use. ENERGY: 3146400 3823.2147 20731.1991 14501.2800 238.8343 -203686.0488 2717.7105 0.0000 0.0000 52087.9062 -109585.9040 299.3499 -161673.8101 -109220.9485 299.4562 298.2949 327.3982 761583.5727 -10.8124 -10.6403 PRESSURE: 3146600 265.375 -136.773 -27.6176 -136.773 96.9731 -190.679 -27.6177 -190.677 53.3023 GPRESSURE: 3146600 318.513 -133.757 40.2616 -128.375 126.259 -243.943 -85.5876 -88.5894 19.5338 PRESSAVG: 3146600 -6.3964 -65.1395 26.4673 -65.1394 -1.35289 -29.4461 26.4673 -29.446 1.46306 GPRESSAVG: 3146600 -6.97789 -64.7768 24.9697 -65.7624 -0.698931 -27.6744 28.6354 -29.2882 1.5106 TIMING: 3146600 CPU: 9944.04, 0.00315244/step Wall: 9944.04, 0.00315244/step, 1.62298 hours remaining, 239.898438 MB of memory in use. ENERGY: 3146600 4047.4381 20486.4551 14478.7589 244.9625 -203952.9193 2894.4154 0.0000 0.0000 52085.8751 -109715.0143 299.3382 -161800.8894 -109360.2384 299.2024 138.5502 154.7686 762051.2765 -2.0954 -2.0554 PRESSURE: 3146800 -149.285 -255.081 -61.0861 -255.081 -466.817 271.347 -61.087 271.346 -375.89 GPRESSURE: 3146800 -189.534 -203.546 -72.3675 -152.705 -389.456 207.635 -227.484 298.482 -338.593 PRESSAVG: 3146800 50.0969 -35.5532 27.883 -35.5533 -68.0384 4.09092 27.883 4.09077 6.68423 GPRESSAVG: 3146800 50.168 -35.5685 26.9899 -36.0136 -67.4036 2.43559 26.8202 2.13919 5.83158 TIMING: 3146800 CPU: 9944.67, 0.00314329/step Wall: 9944.67, 0.00314329/step, 1.6181 hours remaining, 239.898438 MB of memory in use. ENERGY: 3146800 3943.8504 20638.4994 14439.6520 238.1795 -203446.3959 2496.8450 0.0000 0.0000 51895.2926 -109794.0769 298.2430 -161689.3695 -109446.4268 298.5616 -330.6641 -305.8609 762544.4592 -3.7524 -3.8014 PRESSURE: 3147000 102.19 -0.913983 -83.9504 -0.91385 -170.782 -206.241 -83.95 -206.242 -34.6219 GPRESSURE: 3147000 100.834 -30.9238 -30.0179 39.5843 -79.8841 -183.746 -58.5815 -87.1789 -40.1069 PRESSAVG: 3147000 19.322 -24.9898 -0.685554 -24.9898 -15.0269 -56.9532 -0.685611 -56.9533 15.7435 GPRESSAVG: 3147000 18.3662 -25.2088 1.38146 -23.0897 -15.1347 -55.9264 -2.59003 -55.829 16.3553 TIMING: 3147000 CPU: 9945.29, 0.0031349/step Wall: 9945.29, 0.0031349/step, 1.6136 hours remaining, 239.898438 MB of memory in use. ENERGY: 3147000 3969.8440 20452.1928 14503.3188 230.6011 -203680.7663 2907.1323 0.0000 0.0000 52091.1228 -109526.5543 299.3684 -161617.6772 -109161.8428 299.2132 -34.4046 -6.3858 762663.2053 6.6795 6.5289 PRESSURE: 3147200 -130.6 -17.783 175.591 -17.782 -141.899 -265.676 175.591 -265.676 -11.7888 GPRESSURE: 3147200 8.8115 12.1874 148.354 59.3493 -212.397 -241.181 188.056 -170.724 1.00705 PRESSAVG: 3147200 41.4681 -35.9714 36.2235 -35.9714 -9.28349 -28.5913 36.2235 -28.5913 9.99847 GPRESSAVG: 3147200 41.3459 -35.8783 35.3032 -38.2239 -9.00178 -28.9025 38.2315 -30.6398 10.2503 TIMING: 3147200 CPU: 9945.92, 0.00314573/step Wall: 9945.92, 0.00314573/step, 1.619 hours remaining, 239.898438 MB of memory in use. ENERGY: 3147200 3970.4036 20492.3019 14437.3724 244.9991 -203584.3010 2773.7724 0.0000 0.0000 52120.6001 -109544.8514 299.5378 -161665.4515 -109177.0457 299.1167 -94.7628 -67.5263 763012.2434 14.0610 14.1982 PRESSURE: 3147400 -37.8923 -167.904 -69.1405 -167.904 5.14266 -112.12 -69.1405 -112.12 217.217 GPRESSURE: 3147400 -10.5139 -97.6455 -53.5071 -78.774 47.0561 -119.243 -114.582 31.0186 225.284 PRESSAVG: 3147400 53.6777 -23.2872 -11.4028 -23.2872 -8.75545 -28.2276 -11.4028 -28.2276 -5.47324 GPRESSAVG: 3147400 54.4785 -24.1573 -9.50978 -22.3387 -9.4464 -29.5934 -10.2588 -25.5547 -5.27746 TIMING: 3147400 CPU: 9946.55, 0.0031429/step Wall: 9946.55, 0.0031429/step, 1.61737 hours remaining, 239.898438 MB of memory in use. ENERGY: 3147400 4050.7906 20734.8072 14397.9095 262.5509 -203732.5885 2954.7685 0.0000 0.0000 51855.8009 -109475.9609 298.0160 -161331.7617 -109119.6796 299.1107 61.4892 87.2755 762481.9667 13.1497 13.2515 PRESSURE: 3147600 362.246 39.1555 -64.2139 39.1557 442.518 245.002 -64.2139 245.002 182.426 GPRESSURE: 3147600 345.732 170.834 -119.806 84.9923 456.448 323.348 -34.8332 192.089 253.805 PRESSAVG: 3147600 -41.3932 -26.3576 -19.5349 -26.3577 12.3947 -13.1598 -19.5349 -13.1598 16.2335 GPRESSAVG: 3147600 -41.0728 -26.4425 -21.0098 -24.1056 11.6923 -11.8299 -18.1532 -14.3385 16.05 TIMING: 3147600 CPU: 9947.18, 0.00313959/step Wall: 9947.18, 0.00313959/step, 1.61549 hours remaining, 239.898438 MB of memory in use. ENERGY: 3147600 3957.8302 20709.1426 14379.6696 273.3949 -203687.1103 2878.6588 0.0000 0.0000 51937.9829 -109550.4313 298.4883 -161488.4141 -109189.4488 299.2661 329.0633 351.9950 760943.6849 -4.2550 -4.4435 PRESSURE: 3147800 -86.4326 -56.2202 -32.6253 -56.2197 -133.34 26.1209 -32.6262 26.1198 284.519 GPRESSURE: 3147800 -14.6809 -49.384 14.6208 -59.5966 -116.265 10.9618 44.4018 122.537 275.313 PRESSAVG: 3147800 35.3473 8.6379 12.8151 8.63787 -44.0801 -27.1053 12.8151 -27.1053 22.2669 GPRESSAVG: 3147800 35.1457 8.2662 13.0965 5.80412 -44.0275 -28.308 10.9152 -27.6493 22.9389 TIMING: 3147800 CPU: 9947.8, 0.00312596/step Wall: 9947.8, 0.00312596/step, 1.6083 hours remaining, 239.898438 MB of memory in use. ENERGY: 3147800 3983.7892 20544.3356 14423.1812 231.6584 -203874.6938 2928.9371 0.0000 0.0000 52039.6970 -109723.0954 299.0729 -161762.7923 -109361.8509 299.3502 21.5821 48.1224 761435.8485 4.5114 4.6857 PRESSURE: 3148000 152.248 -1.43168 -239.451 -1.43166 -20.3389 -66.8129 -239.45 -66.8125 -92.465 GPRESSURE: 3148000 181.22 -40.8675 -224.931 -120.329 -1.05387 -89.9243 -141.581 60.0466 -56.7543 PRESSAVG: 3148000 -52.3971 -36.8899 -11.2165 -36.8899 -0.822806 20.0936 -11.2166 20.0937 9.70478 GPRESSAVG: 3148000 -51.5325 -36.7694 -12.194 -37.2356 -0.456065 20.1827 -10.1013 20.4614 8.79797 TIMING: 3148000 CPU: 9948.43, 0.00315925/step Wall: 9948.43, 0.00315925/step, 1.62526 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3148000 4006.9367 20549.2732 14396.5154 237.2128 -203858.6217 2921.8413 0.0000 0.0000 51923.8287 -109823.0136 298.4070 -161746.8423 -109462.7399 298.5076 13.1481 41.1373 763071.8871 -14.5050 -14.3969 PRESSURE: 3148200 -299.099 -99.1588 56.0853 -99.1593 -16.7807 -185.388 56.0849 -185.387 -245.028 GPRESSURE: 3148200 -132.418 -79.4891 84.0578 -50.9728 -61.1804 -204.325 -50.521 -175.478 -284.504 PRESSAVG: 3148200 -7.93198 -38.2832 -26.7677 -38.2832 24.1291 -21.5724 -26.7677 -21.5724 -15.9197 GPRESSAVG: 3148200 -7.80609 -36.8897 -26.1516 -38.14 23.1669 -20.4475 -29.1244 -21.1777 -15.2451 TIMING: 3148200 CPU: 9949.07, 0.00316458/step Wall: 9949.07, 0.00316458/step, 1.62783 hours remaining, 239.898438 MB of memory in use. ENERGY: 3148200 4036.7399 20348.4562 14430.8164 252.3923 -203435.8640 2456.3344 0.0000 0.0000 52235.9814 -109675.1434 300.2009 -161911.1248 -109307.6870 298.7928 -186.9693 -159.3675 762214.2028 0.0925 0.0386 LDB: ============= START OF LOAD BALANCING ============== 9961.47 LDB: ============== END OF LOAD BALANCING =============== 9961.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9961.47 LDB: ============= START OF LOAD BALANCING ============== 9961.78 LDB: Largest compute 7031 load 0.033302 is 17.0% of average load 0.196112 LDB: Average compute 0.004370 is 2.2% of average load 0.196112 LDB: TIME 9961.79 LOAD: AVG 0.196112 MAX 0.215872 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 9961.79 LOAD: AVG 0.196112 MAX 0.215872 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 9961.79 LOAD: AVG 0.196112 MAX 0.215872 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 9961.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9961.8 PRESSURE: 3148400 50.9425 -16.5022 -0.361963 -16.503 232.723 90.5439 -0.362028 90.5432 -82.1688 GPRESSURE: 3148400 84.4143 77.8571 -21.4365 -106.265 234.009 8.39792 161.442 87.9185 -17.0435 PRESSAVG: 3148400 -6.19896 14.0383 -29.6577 14.0382 11.9658 -17.1509 -29.6576 -17.1509 -1.05299 GPRESSAVG: 3148400 -5.47571 15.5267 -29.1987 14.5705 12.067 -17.8004 -27.3455 -18.3667 -2.03099 TIMING: 3148400 CPU: 9949.71, 0.0032254/step Wall: 9949.71, 0.0032254/step, 1.65893 hours remaining, 238.152344 MB of memory in use. ENERGY: 3148400 3959.2513 20554.4691 14432.2755 239.6945 -203307.0463 2499.8259 0.0000 0.0000 52098.6171 -109522.9128 299.4115 -161621.5299 -109152.0623 299.1427 67.1654 100.4600 761035.7996 1.5713 1.5201 PRESSURE: 3148600 -65.334 174.269 -69.0651 174.268 -71.7673 -173.027 -69.0641 -173.027 -323.287 GPRESSURE: 3148600 -76.3238 252.717 54.2915 230.462 -42.4666 -192.26 -58.0842 -236.733 -258.976 PRESSAVG: 3148600 65.8461 12.486 11.5044 12.486 -28.8583 -6.97644 11.5045 -6.97652 17.0113 GPRESSAVG: 3148600 63.7949 11.7634 11.318 12.8403 -28.2897 -6.13149 7.92533 -6.23767 18.2914 TIMING: 3148600 CPU: 9950.34, 0.00312335/step Wall: 9950.34, 0.00312335/step, 1.60627 hours remaining, 238.152344 MB of memory in use. ENERGY: 3148600 4028.6328 20371.6669 14408.8637 239.0864 -203287.6528 2497.0671 0.0000 0.0000 52081.4845 -109660.8515 299.3130 -161742.3360 -109297.0099 298.7811 -153.4627 -125.9221 760153.4890 17.9997 17.9322 PRESSURE: 3148800 151.069 -19.5147 -17.1866 -19.5151 -38.8545 72.4966 -17.1868 72.496 -84.8865 GPRESSURE: 3148800 133.722 17.7269 -13.4929 -102.77 17.0186 42.6535 -23.711 36.5111 -30.6103 PRESSAVG: 3148800 36.8147 -39.0932 55.161 -39.0932 13.7765 0.486534 55.161 0.486583 -2.6158 GPRESSAVG: 3148800 36.6771 -40.7949 54.5126 -39.691 13.4854 -0.585968 57.6517 1.34211 -2.73856 TIMING: 3148800 CPU: 9950.97, 0.00315625/step Wall: 9950.97, 0.00315625/step, 1.62301 hours remaining, 238.152344 MB of memory in use. ENERGY: 3148800 3993.2675 20569.9910 14503.1656 241.3722 -203529.9410 2590.9217 0.0000 0.0000 52022.8490 -109608.3740 298.9760 -161631.2230 -109252.6505 298.8918 9.1093 40.0435 760689.3406 15.9918 15.8080 PRESSURE: 3149000 -10.3108 2.41382 -46.4189 2.41442 28.4441 66.3329 -46.4188 66.3332 -3.08016 GPRESSURE: 3149000 50.1406 84.7747 -80.1676 12.614 76.4076 91.2847 -31.721 49.2757 -26.9997 PRESSAVG: 3149000 33.9904 1.70061 -17.4906 1.7006 -23.2515 14.5869 -17.4905 14.5869 8.80993 GPRESSAVG: 3149000 35.0364 1.73297 -18.3331 1.71194 -24.6372 16.8387 -16.6797 12.2783 8.67732 TIMING: 3149000 CPU: 9951.6, 0.0031367/step Wall: 9951.6, 0.0031367/step, 1.61279 hours remaining, 238.152344 MB of memory in use. ENERGY: 3149000 3976.2171 20585.6997 14371.1150 241.9791 -203239.1614 2369.3484 0.0000 0.0000 52047.7025 -109647.0995 299.1189 -161694.8020 -109285.4075 298.9357 5.0177 33.1828 762145.1463 6.5163 6.3588 PRESSURE: 3149200 -157.415 -41.5732 23.9575 -41.5737 392.154 186.568 23.958 186.568 10.2891 GPRESSURE: 3149200 -8.84745 -114.794 21.6001 23.9586 319.613 158.969 -7.793 313.441 39.5317 PRESSAVG: 3149200 22.6159 -14.6174 3.3382 -14.6174 3.91258 20.2655 3.33818 20.2655 -10.0444 GPRESSAVG: 3149200 21.7854 -13.7648 2.61716 -15.085 5.06193 19.0433 3.93088 23.7136 -10.1675 TIMING: 3149200 CPU: 9952.22, 0.00314146/step Wall: 9952.22, 0.00314146/step, 1.61506 hours remaining, 238.152344 MB of memory in use. ENERGY: 3149200 3934.2854 20644.7680 14423.6062 256.6207 -203750.3729 2733.0851 0.0000 0.0000 52342.3197 -109415.6879 300.8120 -161758.0076 -109047.2673 299.0863 81.6763 116.7659 761366.3956 5.4947 5.5599 PRESSURE: 3149400 -227.701 -12.8902 -10.9686 -12.8903 -156.898 -116.22 -10.9694 -116.219 -264.34 GPRESSURE: 3149400 -229.416 55.7656 -37.8094 -60.4129 -103.538 -172.881 -79.4742 -116.179 -241.58 PRESSAVG: 3149400 -33.5317 -14.5958 -11.9166 -14.5958 32.0016 40.5042 -11.9165 40.5043 -12.6608 GPRESSAVG: 3149400 -33.3858 -14.7249 -10.587 -14.0729 31.1335 41.9397 -13.6524 38.9646 -12.2062 TIMING: 3149400 CPU: 9952.85, 0.00314803/step Wall: 9952.85, 0.00314803/step, 1.61826 hours remaining, 238.152344 MB of memory in use. ENERGY: 3149400 3950.4570 20624.4851 14445.4258 241.6695 -203203.5121 2446.4897 0.0000 0.0000 52145.0601 -109349.9248 299.6784 -161494.9850 -108973.4114 299.7603 -216.3128 -191.5116 763011.7859 -4.7303 -4.8195 PRESSURE: 3149600 -110.31 139.119 -150.367 139.119 -359.308 39.7107 -150.367 39.7092 292.117 GPRESSURE: 3149600 7.73489 63.608 -42.9535 126.106 -326.022 33.2182 -161.883 130.955 219.188 PRESSAVG: 3149600 7.07768 -23.989 43.8437 -23.9891 30.0783 -5.06184 43.8437 -5.06192 -15.1154 GPRESSAVG: 3149600 7.21314 -25.2068 43.7455 -22.2055 30.6609 -6.12901 45.9398 -3.70661 -16.5895 TIMING: 3149600 CPU: 9953.48, 0.00313537/step Wall: 9953.48, 0.00313537/step, 1.61158 hours remaining, 238.152344 MB of memory in use. ENERGY: 3149600 3959.0736 20642.7409 14395.2322 250.7306 -203210.9939 2525.7933 0.0000 0.0000 52173.8180 -109263.6053 299.8436 -161437.4233 -108898.9604 299.5654 -59.1670 -33.0331 761257.7405 7.3468 7.0948 PRESSURE: 3149800 305.911 68.7842 193.448 68.784 75.4217 69.6175 193.448 69.6167 352.169 GPRESSURE: 3149800 328.686 59.0453 185.57 57.7835 192.245 210.637 190.308 -19.9808 285.43 PRESSAVG: 3149800 -33.2933 -23.3714 63.2071 -23.3714 16.2893 -61.0277 63.2071 -61.0277 21.7094 GPRESSAVG: 3149800 -33.5529 -20.7172 62.9524 -25.7858 15.9376 -61.9011 60.7704 -61.3344 22.3859 TIMING: 3149800 CPU: 9954.11, 0.00314646/step Wall: 9954.11, 0.00314646/step, 1.61711 hours remaining, 238.152344 MB of memory in use. ENERGY: 3149800 3911.3107 20616.2256 14445.7539 256.2591 -203388.8111 2798.0471 0.0000 0.0000 52059.3632 -109301.8515 299.1859 -161361.2147 -108938.4929 299.9952 244.5006 268.7867 759727.7671 1.5685 1.5902 PRESSURE: 3150000 27.7284 -110.896 41.6108 -110.896 -251.657 118.798 41.61 118.801 98.1024 GPRESSURE: 3150000 128.201 -184.378 11.1528 -58.3286 -220.417 86.6857 10.9162 62.9462 54.9697 PRESSAVG: 3150000 78.7178 -39.0589 18.8178 -39.0589 -33.3773 -2.78518 18.8178 -2.7852 14.4797 GPRESSAVG: 3150000 79.5918 -40.4258 19.7164 -37.3395 -33.2883 -2.11334 18.6443 -5.5495 13.7331 TIMING: 3150000 CPU: 9954.74, 0.0031467/step Wall: 9954.74, 0.0031467/step, 1.61705 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3150000 3967.1816 20595.3688 14397.3448 217.9743 -203257.4081 2407.3579 0.0000 0.0000 52088.2367 -109583.9440 299.3518 -161672.1807 -109222.3228 299.2029 -41.9420 -12.4155 759756.5301 19.9401 20.0122 PRESSURE: 3150200 245.619 -123.098 -122.117 -123.098 -66.9714 2.65536 -122.117 2.65394 -218.687 GPRESSURE: 3150200 213.426 -237.989 -182.632 -154.593 24.9225 81.4977 -197.687 70.4625 -213.833 PRESSAVG: 3150200 23.2528 -10.644 35.9979 -10.644 -24.9101 -21.7457 35.9979 -21.7458 -7.64889 GPRESSAVG: 3150200 21.6255 -8.42137 36.0084 -14.4418 -23.7324 -21.9943 38.9208 -20.2913 -7.456 TIMING: 3150200 CPU: 9955.37, 0.00314969/step Wall: 9955.37, 0.00314969/step, 1.61841 hours remaining, 238.152344 MB of memory in use. ENERGY: 3150200 3964.1362 20699.6336 14431.8252 250.2563 -203338.4728 2601.5630 0.0000 0.0000 51856.6272 -109534.4313 298.0207 -161391.0585 -109185.0443 299.1718 -13.3464 8.1718 761108.4369 -3.1021 -3.1876 PRESSURE: 3150400 -333.873 132.824 31.3141 132.823 -84.042 -15.8359 31.3135 -15.836 -318.161 GPRESSURE: 3150400 -222.548 115.88 -36.4689 55.5561 -100.679 -26.4362 91.7802 134.993 -323.982 PRESSAVG: 3150400 -27.3241 -40.0149 28.2579 -40.0149 21.773 1.9591 28.258 1.95918 -9.29933 GPRESSAVG: 3150400 -26.4877 -42.5611 28.7413 -37.1742 21.1783 1.81481 26.3021 4.23519 -8.85741 TIMING: 3150400 CPU: 9956, 0.00313829/step Wall: 9956, 0.00313829/step, 1.61239 hours remaining, 238.152344 MB of memory in use. ENERGY: 3150400 4002.2663 20608.7071 14393.8743 247.1726 -203332.4037 2436.1830 0.0000 0.0000 51876.4279 -109767.7725 298.1345 -161644.2004 -109411.0829 298.8954 -245.3585 -215.7360 762322.9922 -4.9502 -4.7223 PRESSURE: 3150600 28.9093 -52.0298 -86.1201 -52.0311 96.1943 327.854 -86.1206 327.853 -300.372 GPRESSURE: 3150600 21.9018 -46.9478 -133.952 -137.816 116.028 268.318 11.0683 297.127 -236.076 PRESSAVG: 3150600 -9.88648 -46.5511 1.56038 -46.5512 13.995 3.92272 1.56033 3.92276 -0.366305 GPRESSAVG: 3150600 -10.7876 -44.3128 -0.128874 -47.7296 14.0171 3.90611 2.48729 2.10994 0.0961238 TIMING: 3150600 CPU: 9956.62, 0.0031379/step Wall: 9956.62, 0.0031379/step, 1.61201 hours remaining, 238.152344 MB of memory in use. ENERGY: 3150600 3910.8539 20468.1372 14461.6201 230.7454 -203690.0884 2857.6398 0.0000 0.0000 51943.9573 -109817.1346 298.5226 -161761.0919 -109449.2716 298.6568 -58.4226 -32.7155 761734.8528 1.2474 1.1085 PRESSURE: 3150800 -300.23 -39.8568 -22.9202 -39.8571 -35.5483 -0.286796 -22.9204 -0.287215 -53.4018 GPRESSURE: 3150800 -278.444 -57.4756 -89.3671 -57.466 41.7198 41.8508 82.5915 -10.8515 -60.0337 PRESSAVG: 3150800 -30.5069 -27.1668 -16.7954 -27.1668 13.2788 -10.6563 -16.7954 -10.6563 -7.87558 GPRESSAVG: 3150800 -30.3825 -29.6648 -14.3809 -26.2657 13.1119 -11.6089 -15.2412 -10.4067 -8.17812 TIMING: 3150800 CPU: 9957.26, 0.00317842/step Wall: 9957.26, 0.00317842/step, 1.63265 hours remaining, 238.152344 MB of memory in use. ENERGY: 3150800 3910.7229 20490.6987 14347.0187 245.1590 -203230.8543 2427.2802 0.0000 0.0000 52008.7334 -109801.2414 298.8949 -161809.9748 -109432.1156 298.2604 -129.7266 -98.9194 764008.3146 -8.3679 -8.4829 PRESSURE: 3151000 -44.3174 112.717 40.1578 112.718 153.309 -119.761 40.1576 -119.761 212.162 GPRESSURE: 3151000 -7.72415 116.232 -26.7502 184.751 170.801 -58.6805 130.395 -180.621 232.631 PRESSAVG: 3151000 -8.3581 -15.0333 6.79103 -15.0333 9.33666 -5.50853 6.79103 -5.50851 -23.9871 GPRESSAVG: 3151000 -7.92819 -13.8155 6.09512 -14.0453 10.1538 -3.51818 4.77947 -7.75199 -25.2692 TIMING: 3151000 CPU: 9957.89, 0.00313902/step Wall: 9957.89, 0.00313902/step, 1.61224 hours remaining, 238.152344 MB of memory in use. ENERGY: 3151000 3927.8188 20466.9455 14451.3714 255.1978 -203616.1438 2442.0349 0.0000 0.0000 52090.9568 -109981.8186 299.3674 -162072.7754 -109614.6385 298.6953 107.0512 131.9025 762234.6042 -7.6695 -7.6812 PRESSURE: 3151200 -205.853 -151.523 -25.4567 -151.523 219.744 -91.1309 -25.4574 -91.1318 -373.008 GPRESSURE: 3151200 -163.877 -136.115 -14.7113 -132.338 170.737 -78.2972 -97.9752 45.074 -290.347 PRESSAVG: 3151200 7.78045 -4.5981 6.43572 -4.59804 16.5365 -18.0056 6.43572 -18.0057 -11.4074 GPRESSAVG: 3151200 7.46409 -2.17047 6.40696 -7.32491 15.769 -18.3241 5.01617 -14.8625 -10.0951 TIMING: 3151200 CPU: 9958.51, 0.00312711/step Wall: 9958.51, 0.00312711/step, 1.60594 hours remaining, 238.152344 MB of memory in use. ENERGY: 3151200 3959.0785 20642.1726 14403.5484 236.1315 -203306.0668 2397.6084 0.0000 0.0000 51858.2814 -109809.2460 298.0303 -161667.5274 -109456.9882 298.8860 -119.7057 -94.4957 761842.2730 4.3032 4.3793 PRESSURE: 3151400 -29.831 -10.1746 18.2145 -10.1741 -284.658 160.521 18.215 160.521 -421.402 GPRESSURE: 3151400 4.81085 80.3177 -37.834 58.7185 -239.054 141.119 -56.5303 125.744 -410.065 PRESSAVG: 3151400 -0.281711 -23.7739 -66.2066 -23.774 16.2955 47.3865 -66.2066 47.3864 -21.9033 GPRESSAVG: 3151400 0.313165 -27.6898 -67.6332 -20.417 15.8698 45.3736 -63.4206 47.8876 -22.0649 TIMING: 3151400 CPU: 9959.14, 0.00314174/step Wall: 9959.14, 0.00314174/step, 1.61328 hours remaining, 238.152344 MB of memory in use. ENERGY: 3151400 3972.9071 20550.6977 14440.5467 260.6703 -203493.0950 2666.8993 0.0000 0.0000 51966.4605 -109634.9134 298.6520 -161601.3739 -109278.1862 298.9909 -245.2971 -214.7694 762180.7453 -1.9632 -1.9607 PRESSURE: 3151600 -190.384 98.216 -65.0375 98.2161 358.864 190.546 -65.0364 190.546 221.546 GPRESSURE: 3151600 -73.6397 191.914 -144.102 195.747 401.07 94.6667 -153.501 114.662 155.822 PRESSAVG: 3151600 -42.6199 10.2627 -11.9202 10.2627 19.3609 36.0566 -11.9203 36.0566 29.6249 GPRESSAVG: 3151600 -42.4409 11.1538 -9.75451 10.1552 20.9966 37.6269 -14.5898 32.9323 28.2122 TIMING: 3151600 CPU: 9959.77, 0.00311809/step Wall: 9959.77, 0.00311809/step, 1.60096 hours remaining, 238.152344 MB of memory in use. ENERGY: 3151600 3994.7357 20485.6787 14400.9562 248.8521 -204073.3558 3156.3862 0.0000 0.0000 51960.3222 -109826.4247 298.6167 -161786.7469 -109454.8445 298.6052 130.0087 161.0840 762127.8259 2.1220 2.2560 PRESSURE: 3151800 -217.574 58.219 216.21 58.2195 -267.353 50.4576 216.211 50.4584 -119.767 GPRESSURE: 3151800 -239.843 25.464 158.08 95.9922 -191.654 62.0895 346.088 187.805 -93.3771 PRESSAVG: 3151800 -26.1663 -28.6498 -26.13 -28.6498 37.3754 16.3446 -26.13 16.3446 -26.8986 GPRESSAVG: 3151800 -26.6907 -30.4625 -26.7592 -28.9595 36.2438 17.162 -24.2539 18.242 -25.0683 TIMING: 3151800 CPU: 9960.39, 0.00314004/step Wall: 9960.39, 0.00314004/step, 1.61206 hours remaining, 238.152344 MB of memory in use. ENERGY: 3151800 3909.6509 20532.4737 14396.4290 226.1581 -203227.4215 2546.6989 0.0000 0.0000 52059.5480 -109556.4629 299.1869 -161616.0108 -109191.0515 298.6529 -201.5646 -174.9581 762789.1419 -5.2298 -5.1717 PRESSURE: 3152000 -183.072 200.569 75.0772 200.57 335.072 97.366 75.0774 97.3671 390.614 GPRESSURE: 3152000 -92.5066 76.5813 -51.3492 85.135 275.967 24.4038 107.663 20.5576 449.913 PRESSAVG: 3152000 8.20245 -41.5083 8.60776 -41.5082 -30.6612 1.83845 8.60775 1.83841 -3.58861 GPRESSAVG: 3152000 8.69467 -39.3649 7.60312 -42.2255 -30.5291 -0.084672 9.79208 3.27778 -4.19697 TIMING: 3152000 CPU: 9961.02, 0.0031539/step Wall: 9961.02, 0.0031539/step, 1.619 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3152000 3953.5450 20548.6470 14374.5506 258.1524 -203526.3291 2818.4629 0.0000 0.0000 52170.0151 -109402.9562 299.8218 -161572.9713 -109041.4370 299.1289 180.8712 211.1244 760759.4822 -8.6825 -8.6771 PRESSURE: 3152200 -45.4431 10.1781 78.5809 10.1786 -304.923 12.4974 78.5809 12.498 -223.035 GPRESSURE: 3152200 -103.545 -7.92672 37.1646 157.292 -231.379 33.2216 119.065 153.371 -178.882 PRESSAVG: 3152200 -24.9622 -65.6657 15.7237 -65.6657 56.9794 23.9671 15.7237 23.9671 -18.9096 GPRESSAVG: 3152200 -26.0468 -65.1535 14.6061 -64.5316 58.0365 25.7829 14.928 22.5954 -18.7364 TIMING: 3152200 CPU: 9961.66, 0.00315415/step Wall: 9961.66, 0.00315415/step, 1.61895 hours remaining, 238.152344 MB of memory in use. ENERGY: 3152200 3975.3804 20504.3379 14451.2682 254.4951 -203343.6120 2810.4872 0.0000 0.0000 51909.1215 -109438.5216 298.3224 -161347.6431 -109074.1195 299.7909 -191.1336 -171.2688 762925.0495 4.3692 4.4178 LDB: ============= START OF LOAD BALANCING ============== 9974.05 LDB: ============== END OF LOAD BALANCING =============== 9974.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9974.06 LDB: ============= START OF LOAD BALANCING ============== 9974.37 LDB: Largest compute 7058 load 0.031607 is 16.1% of average load 0.196162 LDB: Average compute 0.004378 is 2.2% of average load 0.196162 LDB: TIME 9974.38 LOAD: AVG 0.196162 MAX 0.216604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 9974.38 LOAD: AVG 0.196162 MAX 0.216604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 9974.38 LOAD: AVG 0.196162 MAX 0.216604 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 9974.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9974.38 PRESSURE: 3152400 -376.255 -180.601 83.0488 -180.6 -466.513 -67.7516 83.0485 -67.7509 -232.3 GPRESSURE: 3152400 -365.485 -218.849 171.766 -238.824 -369.792 -94.8582 56.6157 -26.3508 -232.677 PRESSAVG: 3152400 -12.6485 -20.1203 32.5981 -20.1203 12.0962 -51.4851 32.5981 -51.485 -9.65507 GPRESSAVG: 3152400 -11.9819 -19.5891 33.1455 -22.6416 12.1267 -52.5618 33.3541 -51.0584 -10.0258 TIMING: 3152400 CPU: 9962.3, 0.00322303/step Wall: 9962.3, 0.00322303/step, 1.65413 hours remaining, 239.445312 MB of memory in use. ENERGY: 3152400 4027.6999 20593.3194 14435.6028 231.5124 -203407.5378 2634.3397 0.0000 0.0000 51995.0228 -109490.0408 298.8161 -161485.0636 -109128.9207 298.9334 -358.3562 -322.6513 763422.0525 -3.4024 -3.2937 PRESSURE: 3152600 -168.738 -38.8596 -141.881 -38.8592 110.888 110.614 -141.88 110.615 -170.856 GPRESSURE: 3152600 -48.8375 42.1935 -107.802 -27.1703 56.0303 117.281 -150.593 101.864 -127.249 PRESSAVG: 3152600 -33.5521 37.1239 -36.5048 37.124 50.866 -59.162 -36.5049 -59.162 -4.40334 GPRESSAVG: 3152600 -33.1116 37.3257 -35.1077 37.635 49.3422 -60.1464 -37.43 -59.4918 -3.93098 TIMING: 3152600 CPU: 9962.93, 0.00316314/step Wall: 9962.93, 0.00316314/step, 1.62322 hours remaining, 239.445312 MB of memory in use. ENERGY: 3152600 4015.5727 20673.3830 14424.6807 231.7959 -203314.0748 2538.2513 0.0000 0.0000 51872.5484 -109557.8427 298.1122 -161430.3912 -109203.3451 298.7961 -76.2352 -40.0187 761887.3828 4.3035 4.0999 PRESSURE: 3152800 84.8862 -298.817 53.9153 -298.818 -267.159 89.6382 53.9156 89.6375 -27.9079 GPRESSURE: 3152800 157.742 -252.514 37.6334 -184.429 -144.314 61.4788 20.532 201.955 -155.589 PRESSAVG: 3152800 -4.26845 -17.857 -0.521891 -17.857 21.7425 28.4217 -0.521843 28.4216 13.7305 GPRESSAVG: 3152800 -5.25362 -17.9624 -2.84437 -17.1231 24.091 29.7335 0.201557 28.1303 12.7845 TIMING: 3152800 CPU: 9963.56, 0.00313589/step Wall: 9963.56, 0.00313589/step, 1.60906 hours remaining, 239.445312 MB of memory in use. ENERGY: 3152800 4011.7658 20543.5333 14399.4154 266.2517 -203601.6408 2684.7871 0.0000 0.0000 52059.0380 -109636.8494 299.1840 -161695.8874 -109276.8369 299.1455 -70.0604 -47.3870 760860.3415 10.4015 10.5406 PRESSURE: 3153000 -169.02 -68.5567 -130.1 -68.557 167.928 -75.6288 -130.099 -75.6288 -55.9144 GPRESSURE: 3153000 -158.667 -74.7284 -109.265 -33.8247 279.176 -99.4921 -155.125 -21.284 -88.6867 PRESSAVG: 3153000 13.9615 -17.5786 3.44464 -17.5786 -22.0891 35.4706 3.44467 35.4706 -9.81515 GPRESSAVG: 3153000 14.1847 -18.4016 5.59496 -17.0294 -23.2181 33.8657 1.1656 37.3757 -9.35909 TIMING: 3153000 CPU: 9964.19, 0.00312815/step Wall: 9964.19, 0.00312815/step, 1.60492 hours remaining, 239.445312 MB of memory in use. ENERGY: 3153000 3982.2704 20534.4058 14420.7678 237.9000 -203785.1009 2865.4301 0.0000 0.0000 52048.4016 -109695.9251 299.1229 -161744.3267 -109342.3504 298.8374 -19.0023 10.6074 762928.9322 -5.9809 -6.1308 PRESSURE: 3153200 -321.658 38.6246 182.849 38.6238 -311.012 165.19 182.85 165.19 -511.431 GPRESSURE: 3153200 -277.61 105.639 164.032 -107.772 -299.363 154.3 98.3262 123.338 -488.717 PRESSAVG: 3153200 -10.8316 -27.3377 21.2032 -27.3377 1.12392 24.4779 21.2032 24.478 1.25294 GPRESSAVG: 3153200 -10.8799 -26.3766 21.3114 -29.4938 0.771928 27.0531 22.1839 23.0807 1.47601 TIMING: 3153200 CPU: 9964.81, 0.00313318/step Wall: 9964.81, 0.00313318/step, 1.60732 hours remaining, 239.445312 MB of memory in use. ENERGY: 3153200 4031.5915 20411.9937 14464.8873 252.8101 -203115.0006 2397.3859 0.0000 0.0000 51786.4868 -109769.8453 297.6177 -161556.3321 -109411.6456 298.6126 -381.3670 -355.2303 763866.1106 -2.8182 -2.8773 PRESSURE: 3153400 80.7054 42.6767 21.8413 42.6765 -206.088 5.06363 21.8418 5.06429 407.357 GPRESSURE: 3153400 70.6673 29.8151 -76.4004 47.5193 -97.8356 17.1354 -7.17118 44.6741 392.1 PRESSAVG: 3153400 42.3919 -24.4957 14.047 -24.4958 -26.8248 23.5615 14.047 23.5615 -3.56256 GPRESSAVG: 3153400 41.8032 -26.9894 13.741 -22.6314 -26.5852 22.3171 14.7669 23.4114 -3.25541 TIMING: 3153400 CPU: 9965.44, 0.00312662/step Wall: 9965.44, 0.00312662/step, 1.60378 hours remaining, 239.445312 MB of memory in use. ENERGY: 3153400 3952.2072 20597.1430 14445.9411 250.9831 -203548.9855 2669.9234 0.0000 0.0000 51852.5510 -109780.2367 297.9973 -161632.7877 -109422.4213 298.4665 93.9914 121.6439 761821.4215 4.0015 3.9875 PRESSURE: 3153600 -352.31 -62.0828 126.288 -62.0836 -414.344 -41.1144 126.288 -41.1131 -339.244 GPRESSURE: 3153600 -322.375 5.74083 122.281 -11.2069 -364.424 -68.4845 62.3753 -37.3551 -343.336 PRESSAVG: 3153600 -5.40241 -26.1403 -23.3368 -26.1403 -27.2511 -3.64795 -23.3368 -3.64787 9.43599 GPRESSAVG: 3153600 -6.13088 -25.8501 -23.4932 -25.2268 -26.5948 -3.56791 -23.2851 -4.67297 9.58724 TIMING: 3153600 CPU: 9966.06, 0.00312583/step Wall: 9966.06, 0.00312583/step, 1.60321 hours remaining, 239.445312 MB of memory in use. ENERGY: 3153600 4028.3094 20480.4677 14487.7165 235.8414 -203086.9412 2305.7626 0.0000 0.0000 51989.5570 -109559.2865 298.7847 -161548.8435 -109194.2890 298.3588 -368.6323 -343.3783 763239.1901 -7.7392 -7.7128 PRESSURE: 3153800 9.33354 52.8657 -1.4432 52.8669 -97.1512 187.488 -1.44297 187.49 -278.052 GPRESSURE: 3153800 -31.7798 83.2343 -33.0722 -37.0614 20.8371 177.355 -5.97477 201.692 -275.844 PRESSAVG: 3153800 -36.2002 -58.4833 41.7976 -58.4833 19.7931 48.8284 41.7976 48.8283 -12.0185 GPRESSAVG: 3153800 -34.1267 -59.0903 42.352 -58.6719 19.1527 50.7931 42.1828 50.5409 -13.2842 TIMING: 3153800 CPU: 9966.69, 0.00313355/step Wall: 9966.69, 0.00313355/step, 1.60699 hours remaining, 239.445312 MB of memory in use. ENERGY: 3153800 4004.7137 20580.2644 14328.5134 232.0858 -203192.0513 2617.9316 0.0000 0.0000 51668.4475 -109760.0949 296.9393 -161428.5424 -109407.7386 298.5893 -121.9565 -95.5956 762652.1046 -9.4752 -9.4194 PRESSURE: 3154000 -99.4898 -236.591 241.404 -236.592 -274.015 -21.1695 241.404 -21.1707 -619.419 GPRESSURE: 3154000 -42.9372 -126.259 241.372 -300.126 -286.541 -44.546 237.29 -45.6121 -572.26 PRESSAVG: 3154000 -56.0425 -53.5308 -5.55197 -53.5309 32.6917 23.9688 -5.55203 23.9688 7.30111 GPRESSAVG: 3154000 -57.2728 -52.1344 -5.875 -54.353 32.5082 22.7509 -5.2025 23.0101 8.44247 TIMING: 3154000 CPU: 9967.32, 0.00314195/step Wall: 9967.32, 0.00314195/step, 1.61112 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3154000 4035.5610 20436.9653 14360.6925 252.1206 -203011.2820 2167.9493 0.0000 0.0000 51939.2129 -109818.7804 298.4954 -161757.9932 -109463.7339 297.7368 -330.9744 -300.5792 763440.1250 -5.3499 -5.4407 PRESSURE: 3154200 -249.509 -211.94 1.57576 -211.941 -151.311 180.395 1.57554 180.394 -536.423 GPRESSURE: 3154200 -232.163 -238.662 -71.8025 -173.222 -158.394 164.504 -13.1755 291.329 -460.555 PRESSAVG: 3154200 10.8234 -37.8908 -2.11477 -37.8907 12.2565 8.10914 -2.11483 8.10923 -6.28571 GPRESSAVG: 3154200 11.5767 -37.6147 -3.12701 -37.6472 10.7043 8.11603 -3.34045 9.14666 -5.52846 TIMING: 3154200 CPU: 9967.94, 0.00313303/step Wall: 9967.94, 0.00313303/step, 1.60637 hours remaining, 239.445312 MB of memory in use. ENERGY: 3154200 3932.2486 20603.2690 14392.5368 236.4740 -203144.5811 2485.7305 0.0000 0.0000 51776.4569 -109717.8653 297.5600 -161494.3222 -109354.6558 298.1571 -312.4142 -283.7038 763446.3891 5.5981 5.5842 PRESSURE: 3154400 -27.3039 -64.8655 32.7491 -64.866 -107.001 -228.79 32.7489 -228.79 -97.6143 GPRESSURE: 3154400 -23.8869 -116.772 2.32974 -95.6261 5.67285 -170.658 -2.98908 -207.427 -119.593 PRESSAVG: 3154400 29.6618 -107.62 -25.8092 -107.62 -22.9937 48.8765 -25.8093 48.8765 22.3476 GPRESSAVG: 3154400 29.4653 -106.897 -25.4312 -107.509 -20.9298 48.1837 -25.9496 50.0532 20.1528 TIMING: 3154400 CPU: 9968.57, 0.00313229/step Wall: 9968.57, 0.0031323/step, 1.60582 hours remaining, 239.445312 MB of memory in use. ENERGY: 3154400 4032.1222 20585.4558 14449.9959 235.1129 -203094.6490 2332.9386 0.0000 0.0000 51736.7579 -109722.2657 297.3319 -161459.0236 -109368.6760 298.4640 -77.3065 -45.9358 762444.3029 9.6719 9.5628 PRESSURE: 3154600 112.933 -176.371 -119.593 -176.371 208.103 -58.9013 -119.592 -58.9011 341.545 GPRESSURE: 3154600 172.422 -193.789 -115.75 -15.7677 237.685 -135.874 -122.582 -53.7614 346.732 PRESSAVG: 3154600 47.6397 -51.3541 -43.5348 -51.3541 -0.0701654 10.9596 -43.5348 10.9596 17.0278 GPRESSAVG: 3154600 46.5156 -51.7443 -43.8444 -51.048 0.388328 11.1243 -43.5774 8.51226 17.7097 TIMING: 3154600 CPU: 9969.2, 0.00313137/step Wall: 9969.2, 0.00313137/step, 1.60518 hours remaining, 239.445312 MB of memory in use. ENERGY: 3154600 3983.8802 20390.8038 14467.8886 250.7693 -203864.7694 3084.7042 0.0000 0.0000 52045.2701 -109641.4532 299.1049 -161686.7233 -109286.2740 298.6750 220.8605 252.2796 762322.6000 21.5324 21.5379 PRESSURE: 3154800 82.4567 -362.024 -211.971 -362.024 -298.059 -126.792 -211.971 -126.793 -185.758 GPRESSURE: 3154800 44.3446 -403.579 -140.232 -177.688 -332.293 -106.89 -126.915 2.24035 -50.4508 PRESSAVG: 3154800 43.6386 -30.1761 -17.3176 -30.1761 -47.5185 -17.2537 -17.3176 -17.2537 -1.76499 GPRESSAVG: 3154800 43.9221 -33.4366 -16.3772 -30.4093 -47.7085 -16.3059 -15.2644 -17.1475 -1.79683 TIMING: 3154800 CPU: 9969.82, 0.00312455/step Wall: 9969.82, 0.00312455/step, 1.60151 hours remaining, 239.445312 MB of memory in use. ENERGY: 3154800 3979.2201 20538.7721 14422.2373 250.1792 -203128.6179 2309.5593 0.0000 0.0000 52090.6359 -109538.0141 299.3656 -161628.6499 -109164.9841 299.3303 -133.7867 -112.7998 761901.1670 -1.8816 -1.8611 PRESSURE: 3155000 41.8812 141.827 128.41 141.827 103.431 115.953 128.41 115.953 109.32 GPRESSURE: 3155000 9.73954 120.168 181.009 81.0358 119.184 45.2779 27.4469 78.7099 204.423 PRESSAVG: 3155000 36.8156 -89.2681 -5.4494 -89.2681 -45.5776 4.56416 -5.44935 4.5641 -16.2996 GPRESSAVG: 3155000 37.6737 -84.7395 -4.66065 -89.8847 -46.1441 4.57515 -6.76356 3.90839 -16.5074 TIMING: 3155000 CPU: 9970.45, 0.00312709/step Wall: 9970.45, 0.00312709/step, 1.60264 hours remaining, 239.445312 MB of memory in use. ENERGY: 3155000 3949.8861 20659.9165 14396.3064 240.4188 -202987.7677 2410.4166 0.0000 0.0000 52130.1771 -109200.6462 299.5928 -161330.8233 -108857.5500 299.5258 84.8775 111.1153 763019.3879 -8.3539 -8.3259 PRESSURE: 3155200 -37.8747 -73.7279 113.91 -73.728 35.708 78.1969 113.91 78.1969 -219.334 GPRESSURE: 3155200 -4.39127 -43.9107 90.613 -163.053 41.1159 -3.39172 171.753 213.802 -166.349 PRESSAVG: 3155200 -17.3343 -23.5244 -0.974579 -23.5245 40.9067 -8.56972 -0.974514 -8.56958 17.6188 GPRESSAVG: 3155200 -17.5441 -23.8126 -2.34859 -25.3707 41.3002 -10.5397 -0.44707 -6.44898 17.4508 TIMING: 3155200 CPU: 9971.07, 0.00313408/step Wall: 9971.07, 0.00313408/step, 1.60604 hours remaining, 239.445312 MB of memory in use. ENERGY: 3155200 3938.4856 20372.7364 14420.2173 267.4229 -203149.8899 2625.2244 0.0000 0.0000 52138.7527 -109387.0505 299.6421 -161525.8032 -109018.5459 299.3836 -73.8337 -43.2083 762668.4060 13.7304 13.7357 PRESSURE: 3155400 104.641 75.9428 -148.788 75.9432 -70.4252 52.9857 -148.788 52.9858 186.647 GPRESSURE: 3155400 32.7953 89.4697 -142.001 7.07924 4.50774 82.2819 -199.562 53.7095 260.734 PRESSAVG: 3155400 65.2307 -14.4514 36.4121 -14.4515 -21.3072 15.9951 36.4121 15.9952 -26.3865 GPRESSAVG: 3155400 66.8855 -16.106 35.0428 -12.1328 -22.1551 16.0078 37.1477 15.3374 -27.073 TIMING: 3155400 CPU: 9971.7, 0.00314417/step Wall: 9971.7, 0.00314417/step, 1.61104 hours remaining, 239.445312 MB of memory in use. ENERGY: 3155400 3931.2941 20561.6847 14453.0135 239.3045 -203271.7576 2750.6919 0.0000 0.0000 51921.0670 -109414.7019 298.3911 -161335.7689 -109058.2262 298.7969 73.6207 99.3457 763126.4142 5.8457 5.8858 PRESSURE: 3155600 205.856 -160.073 -101.109 -160.073 -203.137 193.621 -101.109 193.623 -26.0383 GPRESSURE: 3155600 209.555 -57.7093 -181.618 -88.718 -106.103 227.348 -100.148 162.176 -30.4021 PRESSAVG: 3155600 0.336018 -98.9927 48.1489 -98.9927 -3.64799 -15.5377 48.1489 -15.5377 -0.200024 GPRESSAVG: 3155600 -1.591 -98.8442 49.6662 -97.8315 -2.33977 -13.202 43.387 -15.8984 0.652025 TIMING: 3155600 CPU: 9972.33, 0.00312737/step Wall: 9972.33, 0.00312737/step, 1.60226 hours remaining, 239.445312 MB of memory in use. ENERGY: 3155600 3983.7259 20391.5660 14505.7671 252.1263 -203300.7821 2740.8819 0.0000 0.0000 52167.8630 -109258.8518 299.8094 -161426.7148 -108901.8524 299.4073 -7.7733 24.3501 762181.8537 -1.1707 -1.0929 PRESSURE: 3155800 -204.196 -1.44984 -206.346 -1.45023 94.0618 -63.6165 -206.346 -63.6168 322.127 GPRESSURE: 3155800 -135.307 -25.5571 -59.944 45.1523 165.109 -26.6025 -141.915 -47.116 282.171 PRESSAVG: 3155800 26.3063 -36.4915 11.259 -36.4915 -11.9512 -30.5383 11.259 -30.5383 2.32013 GPRESSAVG: 3155800 26.0261 -37.7223 11.6059 -37.7164 -11.9195 -31.2826 12.4094 -31.938 2.72027 TIMING: 3155800 CPU: 9972.95, 0.00312681/step Wall: 9972.95, 0.00312681/step, 1.6018 hours remaining, 239.445312 MB of memory in use. ENERGY: 3155800 3986.2033 20606.8545 14406.4789 250.4058 -203318.7736 2480.4522 0.0000 0.0000 52128.3464 -109460.0324 299.5823 -161588.3788 -109088.1046 299.3825 70.6644 103.9912 762363.7830 5.5584 5.6090 PRESSURE: 3156000 231.519 5.82925 -21.816 5.8295 149.454 31.2888 -21.8163 31.289 166.696 GPRESSURE: 3156000 219.865 -59.9235 -131.212 58.6274 244.38 -17.6139 61.7112 -36.1772 166.746 PRESSAVG: 3156000 29.5942 -31.0321 -81.2017 -31.0321 -13.3092 -37.7239 -81.2017 -37.724 -4.35979 GPRESSAVG: 3156000 29.638 -31.2577 -81.6766 -31.4016 -13.7225 -39.1482 -78.2206 -37.1388 -4.81826 TIMING: 3156000 CPU: 9973.58, 0.00312452/step Wall: 9973.58, 0.00312451/step, 1.60045 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3156000 4054.4851 20466.9864 14463.2012 248.1488 -203699.9214 2976.2275 0.0000 0.0000 51922.0320 -109568.8403 298.3966 -161490.8724 -109203.0760 298.9521 182.5564 210.3303 762647.8254 3.9751 3.6991 PRESSURE: 3156200 -127.945 39.4951 468.464 39.4958 -379.394 -3.01913 468.465 -3.01874 -736.207 GPRESSURE: 3156200 -279.719 27.3248 409.051 52.3739 -206.267 -50.8195 425.911 109.512 -678.647 PRESSAVG: 3156200 -36.8989 -55.6952 11.4815 -55.6952 6.38466 -27.3627 11.4815 -27.3628 -8.97237 GPRESSAVG: 3156200 -36.0864 -54.0041 11.2284 -57.3842 7.08225 -25.865 10.2794 -28.0612 -9.85708 TIMING: 3156200 CPU: 9974.21, 0.00313984/step Wall: 9974.21, 0.00313984/step, 1.60812 hours remaining, 239.445312 MB of memory in use. ENERGY: 3156200 4063.4425 20511.2684 14488.2803 237.3749 -203930.1998 2705.3887 0.0000 0.0000 52506.2222 -109418.2228 301.7540 -161924.4449 -109063.9115 299.0256 -414.5154 -388.2111 763597.0258 -13.1622 -12.9537 LDB: ============= START OF LOAD BALANCING ============== 9986.6 LDB: ============== END OF LOAD BALANCING =============== 9986.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9986.61 LDB: ============= START OF LOAD BALANCING ============== 9986.92 LDB: Largest compute 7058 load 0.035902 is 18.3% of average load 0.196093 LDB: Average compute 0.004374 is 2.2% of average load 0.196093 LDB: TIME 9986.93 LOAD: AVG 0.196093 MAX 0.216488 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.762 MB LDB: TIME 9986.93 LOAD: AVG 0.196093 MAX 0.216488 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.762 MB LDB: TIME 9986.93 LOAD: AVG 0.196093 MAX 0.216488 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.762 MB LDB: ============== END OF LOAD BALANCING =============== 9986.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9986.93 PRESSURE: 3156400 -109.84 -139.302 -173.567 -139.302 248.573 -214.676 -173.567 -214.676 -324.617 GPRESSURE: 3156400 -76.8673 -25.3793 -213.6 -92.1913 264.631 -177.77 -159.923 -126.489 -295.834 PRESSAVG: 3156400 -8.54863 -10.9462 50.7495 -10.9462 46.4688 -34.2652 50.7495 -34.2652 -4.98716 GPRESSAVG: 3156400 -10.6107 -9.21896 49.1193 -9.71197 46.7913 -36.0689 53.6923 -30.7524 -3.12748 TIMING: 3156400 CPU: 9974.85, 0.00322494/step Wall: 9974.85, 0.00322494/step, 1.65153 hours remaining, 239.125000 MB of memory in use. ENERGY: 3156400 3998.4896 20595.2834 14407.0117 207.8746 -202938.5076 2435.9395 0.0000 0.0000 51977.0565 -109316.8524 298.7129 -161293.9089 -108947.0342 299.4151 -61.9611 -36.0235 763597.2445 10.9777 11.0177 PRESSURE: 3156600 -63.9006 144.711 25.859 144.711 425.394 117.622 25.8587 117.622 496.716 GPRESSURE: 3156600 124.701 129.24 10.0646 128.668 347.727 96.4584 86.2433 139.262 482.435 PRESSAVG: 3156600 -22.0677 -68.6449 -31.1514 -68.6449 18.5481 -39.9941 -31.1514 -39.9941 -8.03457 GPRESSAVG: 3156600 -19.8689 -69.3575 -31.0066 -67.9496 17.2274 -39.008 -32.3986 -40.3434 -8.74048 TIMING: 3156600 CPU: 9975.48, 0.00313726/step Wall: 9975.48, 0.00313726/step, 1.60645 hours remaining, 239.328125 MB of memory in use. ENERGY: 3156600 3955.8642 20644.7751 14486.4777 251.4631 -203165.5356 2623.7634 0.0000 0.0000 51826.5324 -109376.6597 297.8478 -161203.1921 -109026.8585 298.8563 286.0699 318.2879 761437.7396 -3.8514 -3.7940 PRESSURE: 3156800 -96.569 -245.558 -232.181 -245.558 57.8149 -152.514 -232.181 -152.514 169.988 GPRESSURE: 3156800 -63.4183 -113.952 -202.905 -253.268 167.079 -76.9652 -251.632 -178.622 114.861 PRESSAVG: 3156800 10.2196 -51.8776 3.98606 -51.8776 27.9503 -49.8916 3.98614 -49.8916 -30.3785 GPRESSAVG: 3156800 10.113 -53.4496 5.57325 -52.9317 28.1404 -50.115 1.99592 -50.3777 -30.5521 TIMING: 3156800 CPU: 9976.11, 0.00314091/step Wall: 9976.11, 0.00314091/step, 1.60814 hours remaining, 239.328125 MB of memory in use. ENERGY: 3156800 3946.1309 20486.9494 14456.8760 222.2203 -203330.6219 2626.5184 0.0000 0.0000 52192.7513 -109399.1756 299.9525 -161591.9269 -109042.9414 299.0749 43.7445 72.8404 762567.6721 2.5971 2.5671 PRESSURE: 3157000 75.6963 46.5967 -160.196 46.5972 -121.693 -69.7296 -160.195 -69.7304 -238.833 GPRESSURE: 3157000 95.4241 102.457 -139.127 45.254 -105.069 -121.842 -47.7253 10.2106 -205.249 PRESSAVG: 3157000 -1.39794 -39.0193 18.1176 -39.0193 2.40595 -43.0212 18.1176 -43.0212 8.72782 GPRESSAVG: 3157000 -3.73688 -38.964 18.4112 -37.9166 4.0911 -43.3001 18.806 -41.9163 9.44141 TIMING: 3157000 CPU: 9976.73, 0.00312838/step Wall: 9976.73, 0.00312838/step, 1.60156 hours remaining, 239.328125 MB of memory in use. ENERGY: 3157000 3958.4143 20567.2887 14450.1915 249.7455 -203084.6132 2609.7892 0.0000 0.0000 52046.9669 -109202.2173 299.1146 -161249.1841 -108843.0597 298.9657 -94.9432 -71.6315 761712.6991 3.2453 3.2652 PRESSURE: 3157200 391.323 -52.4765 164.892 -52.4766 -97.9369 -234.912 164.893 -234.913 494.652 GPRESSURE: 3157200 314.905 -104.125 186.782 -8.32596 57.8291 -225.382 262.524 -112.525 482.666 PRESSAVG: 3157200 -35.3852 -36.7203 12.0867 -36.7203 -2.55599 -17.0451 12.0866 -17.0451 2.3705 GPRESSAVG: 3157200 -34.0059 -35.6863 11.9729 -38.7106 -3.45817 -20.2957 13.324 -16.9528 2.09365 TIMING: 3157200 CPU: 9977.36, 0.00313571/step Wall: 9977.36, 0.00313571/step, 1.60514 hours remaining, 239.328125 MB of memory in use. ENERGY: 3157200 3898.8898 20610.3858 14430.6054 262.3365 -203635.5815 3009.7702 0.0000 0.0000 52267.1124 -109156.4814 300.3798 -161423.5937 -108792.2384 299.4982 262.6792 285.1333 760754.7909 -11.8569 -11.7901 PRESSURE: 3157400 76.4417 18.3418 -200.155 18.3418 -288.319 -169.309 -200.155 -169.308 -17.7147 GPRESSURE: 3157400 24.9019 132.073 -202.146 61.5365 -165.666 -141.527 -157.68 -29.8419 -8.18825 PRESSAVG: 3157400 55.6085 5.59167 32.4438 5.59164 -73.6798 -11.0182 32.4438 -11.0181 -11.8651 GPRESSAVG: 3157400 55.7565 3.29281 33.6151 8.79297 -74.4784 -6.91401 31.4449 -12.6059 -11.0145 TIMING: 3157400 CPU: 9977.99, 0.00312627/step Wall: 9977.99, 0.00312627/step, 1.60013 hours remaining, 239.328125 MB of memory in use. ENERGY: 3157400 4017.6562 20534.5688 14404.1999 226.4176 -202975.3845 2508.0565 0.0000 0.0000 52304.5604 -108979.9251 300.5950 -161284.4855 -108611.7917 299.7093 -76.5306 -49.6507 762568.5189 -9.9788 -9.9121 PRESSURE: 3157600 138.055 161.091 -2.48994 161.091 -37.4958 94.4637 -2.49009 94.4633 130.198 GPRESSURE: 3157600 170.706 136.987 38.6056 130.256 21.4025 10.0655 -9.10088 205.636 132.562 PRESSAVG: 3157600 -38.5904 -11.4751 36.2982 -11.475 -19.5165 39.1166 36.2982 39.1166 8.21596 GPRESSAVG: 3157600 -39.1375 -11.2907 36.5531 -14.0915 -18.6524 38.6537 35.9197 40.1899 7.99152 TIMING: 3157600 CPU: 9978.61, 0.00312896/step Wall: 9978.61, 0.00312896/step, 1.60133 hours remaining, 239.328125 MB of memory in use. ENERGY: 3157600 4027.4995 20440.4651 14344.2740 250.6117 -203417.0887 3056.5232 0.0000 0.0000 52117.1954 -109180.5199 299.5182 -161297.7154 -108810.9576 299.4666 76.9192 108.2233 763623.5375 -16.6303 -16.5995 PRESSURE: 3157800 -83.353 170.921 63.1303 170.92 134.581 -171.699 63.1313 -171.698 54.3837 GPRESSURE: 3157800 -118.117 182.014 5.97595 145.499 128.47 -116.819 0.624299 -194.555 170.428 PRESSAVG: 3157800 -33.3696 17.0876 16.6169 17.0876 38.1409 41.5142 16.6169 41.5142 -10.6844 GPRESSAVG: 3157800 -32.1797 17.7429 15.3331 18.5363 37.0312 41.4695 17.1271 39.5459 -10.2417 TIMING: 3157800 CPU: 9979.24, 0.00312859/step Wall: 9979.24, 0.00312859/step, 1.60097 hours remaining, 239.328125 MB of memory in use. ENERGY: 3157800 3974.4515 20577.0677 14492.1751 259.7640 -203135.0616 2809.4404 0.0000 0.0000 51945.5516 -109076.6112 298.5318 -161022.1629 -108712.3612 299.5276 35.2039 60.2601 763390.0596 -1.9710 -1.7967 PRESSURE: 3158000 54.499 41.3495 -112.996 41.3494 -61.1683 83.5907 -112.996 83.5909 -70.8713 GPRESSURE: 3158000 25.0479 105.192 -71.6535 72.5768 60.7478 105.926 -59.4972 249.678 -78.2098 PRESSAVG: 3158000 2.84613 9.02491 8.65149 9.02483 52.1955 -26.2761 8.65157 -26.2761 18.2899 GPRESSAVG: 3158000 1.53799 6.26554 7.85217 10.6424 54.7914 -26.6158 7.90586 -26.5286 17.4444 TIMING: 3158000 CPU: 9979.86, 0.0031399/step Wall: 9979.86, 0.0031399/step, 1.60658 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3158000 3874.6719 20411.4827 14446.3617 242.3142 -203173.3144 2589.6365 0.0000 0.0000 52399.8139 -109209.0336 301.1425 -161608.8474 -108834.9111 299.4686 -25.8469 2.5286 762455.7889 24.4438 24.5913 PRESSURE: 3158200 -307.047 36.5956 42.3316 36.5968 -460.019 -100.073 42.3314 -100.072 -275.44 GPRESSURE: 3158200 -358.521 140.716 94.1792 11.7176 -291.873 -140.222 16.3014 -136.16 -293.917 PRESSAVG: 3158200 -19.2437 -49.56 -14.5012 -49.56 21.9113 -60.0182 -14.5013 -60.0182 -9.56159 GPRESSAVG: 3158200 -17.3698 -46.5253 -12.6532 -50.6019 20.9753 -59.998 -13.6652 -60.4024 -10.6588 TIMING: 3158200 CPU: 9980.49, 0.00313985/step Wall: 9980.49, 0.00313985/step, 1.60638 hours remaining, 239.328125 MB of memory in use. ENERGY: 3158200 4007.9945 20497.5490 14405.3202 274.7569 -202743.3841 2379.3956 0.0000 0.0000 51906.2106 -109272.1572 298.3057 -161178.3679 -108913.2154 299.6069 -347.5023 -314.7701 765104.9547 -2.2980 -2.3511 PRESSURE: 3158400 285.645 -127.32 -376.968 -127.321 191.571 142.956 -376.968 142.956 96.2116 GPRESSURE: 3158400 311.872 -192.145 -452.453 -12.483 216.273 93.3613 -241.705 43.9584 129.108 PRESSAVG: 3158400 -26.573 33.975 -5.51464 33.975 27.3288 44.3689 -5.51466 44.3689 -4.6972 GPRESSAVG: 3158400 -26.9385 32.8889 -6.317 34.7459 25.2465 44.2648 -5.7081 44.3913 -2.55896 TIMING: 3158400 CPU: 9981.12, 0.00314257/step Wall: 9981.12, 0.00314257/step, 1.6076 hours remaining, 239.328125 MB of memory in use. ENERGY: 3158400 3911.9301 20463.2047 14396.2029 236.9393 -203438.5261 2940.4964 0.0000 0.0000 52294.6728 -109195.0799 300.5382 -161489.7527 -108832.7656 299.5499 191.1425 219.0843 761645.2193 -1.3138 -1.4170 PRESSURE: 3158600 27.2197 162.734 127.358 162.733 93.8791 177.914 127.359 177.914 97.7348 GPRESSURE: 3158600 50.2352 58.0434 157.363 100.507 154.006 183.243 149.499 149.209 82.4682 PRESSAVG: 3158600 50.422 12.648 -21.3836 12.648 15.1073 39.0889 -21.3836 39.0889 1.70948 GPRESSAVG: 3158600 50.0993 12.4526 -20.3465 10.6678 15.8227 38.6796 -18.7132 39.8851 0.789197 TIMING: 3158600 CPU: 9981.75, 0.00315328/step Wall: 9981.75, 0.00315328/step, 1.6129 hours remaining, 239.328125 MB of memory in use. ENERGY: 3158600 3967.2041 20400.1551 14362.2934 262.1678 -202938.8964 2555.7509 0.0000 0.0000 52239.8340 -109151.4911 300.2230 -161391.3252 -108785.2874 299.7573 72.9445 95.5697 762330.6721 22.4129 22.2370 PRESSURE: 3158800 7.13639 49.9817 -7.43436 49.9818 -224.206 -176.441 -7.43396 -176.441 -40.5696 GPRESSURE: 3158800 41.2127 19.9915 -10.1757 73.7613 -166.494 -152.424 -137.292 -141.211 -38.3046 PRESSAVG: 3158800 -18.0347 -4.25833 -9.06141 -4.25834 19.9275 -25.1462 -9.06144 -25.1463 30.4417 GPRESSAVG: 3158800 -18.2898 -3.05641 -9.09752 -6.35184 19.565 -24.9057 -11.5526 -26.1467 31.0248 TIMING: 3158800 CPU: 9982.38, 0.00313854/step Wall: 9982.38, 0.00313854/step, 1.60519 hours remaining, 239.328125 MB of memory in use. ENERGY: 3158800 3950.4984 20613.7562 14407.4318 241.5625 -203161.9394 2711.9066 0.0000 0.0000 52230.9076 -109005.8761 300.1717 -161236.7838 -108632.1383 300.1129 -85.8796 -54.5286 763781.9422 10.7782 10.7667 PRESSURE: 3159000 139.269 24.0737 -37.5073 24.0726 193.015 -177.964 -37.5073 -177.963 143.869 GPRESSURE: 3159000 124.205 -71.7223 -40.8257 87.9912 247.036 -235.581 -77.9672 -76.0256 166.131 PRESSAVG: 3159000 14.2276 -47.2656 -41.2112 -47.2656 50.9573 -44.2535 -41.2111 -44.2535 19.7223 GPRESSAVG: 3159000 13.6751 -47.6889 -41.8029 -44.7291 51.9604 -44.12 -41.9259 -42.9786 19.1977 TIMING: 3159000 CPU: 9983, 0.0031182/step Wall: 9983, 0.0031182/step, 1.59461 hours remaining, 239.328125 MB of memory in use. ENERGY: 3159000 3951.6189 20503.5007 14402.4386 263.5077 -203300.6847 2733.6774 0.0000 0.0000 52304.3442 -109141.5970 300.5938 -161445.9413 -108776.5257 300.0754 158.7177 179.1242 761329.3826 28.3024 28.2777 PRESSURE: 3159200 54.3993 -66.6506 -297.923 -66.6503 203.907 266.765 -297.923 266.766 -106.747 GPRESSURE: 3159200 86.4137 -147.463 -235.171 17.1642 213.971 217.074 -176.479 192.487 -58.8325 PRESSAVG: 3159200 -14.5616 -14.8724 -26.3337 -14.8724 18.9462 24.774 -26.3337 24.774 14.6855 GPRESSAVG: 3159200 -13.7209 -14.6312 -25.843 -13.6351 18.5794 23.6761 -24.4676 23.8082 15.0612 TIMING: 3159200 CPU: 9983.63, 0.00314577/step Wall: 9983.63, 0.00314577/step, 1.60854 hours remaining, 239.328125 MB of memory in use. ENERGY: 3159200 3965.0429 20446.9988 14483.8523 243.9479 -203382.0791 2872.8108 0.0000 0.0000 52253.6225 -109115.8039 300.3023 -161369.4263 -108759.9237 299.8836 50.5200 80.5174 762070.7430 6.3567 6.6399 PRESSURE: 3159400 -293.106 -4.42069 55.6394 -4.42055 92.0864 94.1749 55.6385 94.1758 239.747 GPRESSURE: 3159400 -166.608 -31.3487 34.3133 -33.2063 65.1949 112.033 174.302 51.6079 229.146 PRESSAVG: 3159400 23.5465 -29.7215 27.7942 -29.7214 -26.7025 43.7939 27.7942 43.7939 2.50964 GPRESSAVG: 3159400 23.2802 -29.6397 27.1309 -31.2178 -26.4622 45.5619 25.5669 44.4208 2.3842 TIMING: 3159400 CPU: 9984.26, 0.00314573/step Wall: 9984.26, 0.00314573/step, 1.60834 hours remaining, 239.328125 MB of memory in use. ENERGY: 3159400 3936.2657 20422.2924 14504.4277 251.9005 -203541.1701 2750.2927 0.0000 0.0000 52312.4762 -109363.5150 300.6405 -161675.9912 -108993.6279 299.6049 12.9091 42.5777 762163.3391 -0.2154 -0.2660 PRESSURE: 3159600 -110.999 151.338 207.97 151.338 78.0624 10.2312 207.97 10.2314 -0.509247 GPRESSURE: 3159600 -116.74 91.0991 166.14 60.4678 94.0001 14.7046 141.877 -88.6471 89.0214 PRESSAVG: 3159600 -17.5892 -39.7151 -10.3114 -39.7151 -36.7655 38.9904 -10.3114 38.9905 -10.5617 GPRESSAVG: 3159600 -17.8205 -41.0252 -10.758 -39.5217 -37.1827 38.0736 -11.7394 40.8058 -9.94598 TIMING: 3159600 CPU: 9984.89, 0.00312019/step Wall: 9984.89, 0.00312019/step, 1.59511 hours remaining, 239.328125 MB of memory in use. ENERGY: 3159600 3951.2079 20518.2513 14437.9572 234.3007 -202835.7945 2510.6630 0.0000 0.0000 51815.4386 -109367.9757 297.7840 -161183.4143 -109015.9584 299.2407 -11.1485 22.0940 764263.6632 -21.6388 -21.6497 PRESSURE: 3159800 189.718 -45.7196 214.457 -45.7193 0.240808 -196.94 214.456 -196.94 79.5991 GPRESSURE: 3159800 199.099 -3.79761 189.385 -97.0314 12.3055 -168.908 161.364 -235.043 130.257 PRESSAVG: 3159800 -33.2905 -16.7448 51.8798 -16.7448 3.98599 3.92195 51.8798 3.92199 7.84679 GPRESSAVG: 3159800 -32.9945 -16.2073 52.8213 -16.4386 2.85768 2.79289 53.0069 1.69165 8.39551 TIMING: 3159800 CPU: 9985.51, 0.003124/step Wall: 9985.51, 0.003124/step, 1.59688 hours remaining, 239.328125 MB of memory in use. ENERGY: 3159800 3934.5222 20508.4031 14374.5673 246.8084 -203312.1596 2711.6050 0.0000 0.0000 52135.4259 -109400.8277 299.6230 -161536.2536 -109053.2020 298.6397 89.8528 113.8872 762840.2131 -7.1526 -7.2471 PRESSURE: 3160000 -287.756 81.1667 -135.796 81.1667 -134.051 58.9346 -135.797 58.9346 -48.3737 GPRESSURE: 3160000 -207.794 19.4396 -244.938 -31.6067 -105.09 28.1294 -113.3 36.4368 -81.8657 PRESSAVG: 3160000 -55.0787 -15.8267 -53.5734 -15.8266 34.4836 -13.71 -53.5734 -13.7101 6.49565 GPRESSAVG: 3160000 -54.2378 -17.1807 -53.4772 -14.9957 35.0232 -11.6626 -52.8135 -14.3009 5.27962 TIMING: 3160000 CPU: 9986.14, 0.00312977/step Wall: 9986.14, 0.00312977/step, 1.59966 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3160000 3980.9823 20450.3333 14451.7291 239.8007 -203009.1134 2581.4508 0.0000 0.0000 51956.4051 -109348.4121 298.5942 -161304.8172 -108992.2055 299.1777 -156.7268 -131.5832 764485.8350 -4.6998 -4.6450 PRESSURE: 3160200 -62.6786 -178.002 72.474 -178.002 -228.644 156.035 72.4748 156.034 -206.853 GPRESSURE: 3160200 -53.2525 -129.543 172.518 -122.158 -271.116 99.2336 -141.053 126.88 -95.3789 PRESSAVG: 3160200 -27.244 -9.25652 -84.1191 -9.25655 0.494201 -21.0655 -84.1191 -21.0654 15.5843 GPRESSAVG: 3160200 -28.2047 -9.3517 -84.6246 -8.42623 0.903785 -22.1483 -83.7768 -19.8936 16.1571 TIMING: 3160200 CPU: 9986.76, 0.00312449/step Wall: 9986.76, 0.00312449/step, 1.59679 hours remaining, 239.328125 MB of memory in use. ENERGY: 3160200 4036.0699 20495.9271 14426.0009 254.6689 -203036.3739 2721.9744 0.0000 0.0000 51929.4703 -109172.2623 298.4394 -161101.7326 -108809.5984 299.5031 -166.0586 -139.9159 765608.2437 -3.7218 -3.7146 LDB: ============= START OF LOAD BALANCING ============== 9999.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9999.16 LDB: =============== DONE WITH MIGRATION ================ 9999.16 LDB: ============= START OF LOAD BALANCING ============== 9999.47 LDB: Largest compute 7026 load 0.030089 is 15.3% of average load 0.196157 LDB: Average compute 0.004365 is 2.2% of average load 0.196157 LDB: TIME 9999.48 LOAD: AVG 0.196157 MAX 0.215155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 9999.48 LOAD: AVG 0.196157 MAX 0.215155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.426 MB LDB: TIME 9999.48 LOAD: AVG 0.196157 MAX 0.215155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.426 MB LDB: ============== END OF LOAD BALANCING =============== 9999.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9999.48 PRESSURE: 3160400 79.6674 24.2744 -154.889 24.275 -100.785 26.2433 -154.889 26.2434 268.913 GPRESSURE: 3160400 52.3281 -46.1392 -51.885 -54.6778 -42.2982 -26.4747 -229.325 154.14 307.507 PRESSAVG: 3160400 49.2034 -8.00943 -1.48675 -8.00946 -42.1151 19.4745 -1.4868 19.4745 3.91606 GPRESSAVG: 3160400 49.0745 -6.72852 -2.57753 -9.41849 -42.7445 19.4087 -2.55521 19.6199 5.00278 TIMING: 3160400 CPU: 9987.4, 0.00319879/step Wall: 9987.4, 0.00319879/step, 1.63458 hours remaining, 240.667969 MB of memory in use. ENERGY: 3160400 3931.6412 20562.5481 14409.5472 252.8333 -203355.8438 2704.3735 0.0000 0.0000 52203.7865 -109291.1139 300.0159 -161494.9004 -108922.1460 299.9874 82.5985 105.8457 762262.5833 3.6681 3.7776 PRESSURE: 3160600 -121.848 -241.819 133.923 -241.819 -223.604 -37.0428 133.922 -37.0428 -94.2762 GPRESSURE: 3160600 -82.2895 -228.922 132.548 -263.376 -236.27 -83.5742 -24.9889 -108.402 -36.8961 PRESSAVG: 3160600 4.27007 -14.3887 -13.7267 -14.3888 -12.889 -32.6071 -13.7267 -32.6071 -2.6545 GPRESSAVG: 3160600 4.71143 -14.5414 -12.8138 -13.4312 -12.2669 -34.0515 -13.3324 -32.3498 -3.37184 TIMING: 3160600 CPU: 9988.03, 0.00312047/step Wall: 9988.03, 0.00312047/step, 1.59439 hours remaining, 240.667969 MB of memory in use. ENERGY: 3160600 3993.3272 20395.2330 14360.3362 260.2559 -203288.2275 2572.5879 0.0000 0.0000 52156.5575 -109549.9298 299.7445 -161706.4873 -109187.1487 299.3804 -146.5758 -118.4851 761837.5259 -3.7578 -3.6424 PRESSURE: 3160800 -442.081 122.981 234.064 122.98 -114.529 -117.277 234.063 -117.277 -88.8048 GPRESSURE: 3160800 -370.323 132.117 220.987 5.41163 -136.274 -100.751 84.9167 -103.784 -58.1933 PRESSAVG: 3160800 -45.022 -85.0666 42.5089 -85.0666 109.061 -30.9181 42.5089 -30.9181 0.0447537 GPRESSAVG: 3160800 -44.8658 -84.7102 41.8536 -87.8205 109.194 -30.2449 40.4308 -32.2221 0.0765561 TIMING: 3160800 CPU: 9988.65, 0.00314074/step Wall: 9988.65, 0.00314074/step, 1.60457 hours remaining, 240.667969 MB of memory in use. ENERGY: 3160800 3997.4697 20461.8727 14436.4555 255.3865 -203067.2770 2449.2588 0.0000 0.0000 51767.2749 -109699.5589 297.5072 -161466.8338 -109343.5946 298.2401 -215.1385 -188.2634 763331.0166 21.3614 21.4684 PRESSURE: 3161000 -235.259 -211.473 83.185 -211.473 -64.8419 -240.038 83.1864 -240.039 213.712 GPRESSURE: 3161000 -131.957 -33.8121 57.259 -125.71 -128.474 -265.032 113.213 -180.208 247.561 PRESSAVG: 3161000 -19.4566 -104.576 37.04 -104.576 11.5904 -31.7975 37.04 -31.7975 7.26345 GPRESSAVG: 3161000 -19.5898 -104.086 38.0006 -102.671 11.4369 -30.8786 37.8214 -30.4395 6.82901 TIMING: 3161000 CPU: 9989.28, 0.00313233/step Wall: 9989.28, 0.00313233/step, 1.6001 hours remaining, 240.667969 MB of memory in use. ENERGY: 3161000 3968.6492 20526.8209 14455.2727 249.8329 -202951.4133 2233.0764 0.0000 0.0000 51938.2545 -109579.5068 298.4899 -161517.7613 -109230.9446 298.7297 -28.7962 -4.2900 760976.3253 -0.2009 -0.4413 PRESSURE: 3161200 167.775 -20.0089 103.561 -20.0089 -122.413 176.334 103.56 176.334 77.8678 GPRESSURE: 3161200 185.163 -11.2137 73.4098 -17.3614 -142.924 94.4046 59.3643 135.266 144.893 PRESSAVG: 3161200 -24.171 -23.0036 25.3125 -23.0037 -8.00957 -12.8527 25.3125 -12.8527 -9.31383 GPRESSAVG: 3161200 -24.0441 -22.9384 25.1316 -23.0337 -7.70093 -12.6857 26.3064 -14.3808 -9.66693 TIMING: 3161200 CPU: 9989.9, 0.00310993/step Wall: 9989.9, 0.00310993/step, 1.58848 hours remaining, 240.667969 MB of memory in use. ENERGY: 3161200 3933.7008 20636.3775 14432.8929 247.1672 -203548.6064 2556.4603 0.0000 0.0000 51958.3297 -109783.6780 298.6052 -161742.0077 -109428.0925 298.4527 41.0768 62.3773 762801.4702 -13.8315 -13.8040 PRESSURE: 3161400 544.74 -100.879 -80.8678 -100.879 236.002 6.73883 -80.8687 6.73801 -122.454 GPRESSURE: 3161400 600.343 -40.3037 -147.375 -101.606 182.153 46.1223 -142.609 -1.76034 -46.0093 PRESSAVG: 3161400 31.8182 -95.4175 19.7153 -95.4175 -14.7105 -48.2894 19.7153 -48.2893 -8.05889 GPRESSAVG: 3161400 32.4846 -94.1049 19.4744 -94.93 -16.3353 -49.84 20.163 -48.1228 -6.98341 TIMING: 3161400 CPU: 9990.53, 0.00313416/step Wall: 9990.53, 0.00313416/step, 1.60069 hours remaining, 240.667969 MB of memory in use. ENERGY: 3161400 3951.6681 20586.7755 14376.8396 250.8413 -203604.4563 2678.4003 0.0000 0.0000 51844.4831 -109915.4484 297.9510 -161759.9315 -109559.2255 298.4067 219.4296 245.4953 761413.7829 3.0163 3.0553 PRESSURE: 3161600 -60.8757 158.482 10.3731 158.482 -263.598 -119.948 10.3739 -119.947 -107.308 GPRESSURE: 3161600 -15.0798 98.3504 11.5313 15.443 -287.009 -4.90984 95.3366 -134.934 -48.0202 PRESSAVG: 3161600 5.70177 -53.5441 34.167 -53.5441 -41.1553 -53.6405 34.1669 -53.6405 3.7391 GPRESSAVG: 3161600 5.65059 -56.3075 33.6633 -52.9647 -39.8712 -52.6275 35.1485 -53.1769 2.04029 TIMING: 3161600 CPU: 9991.15, 0.00313116/step Wall: 9991.15, 0.00313116/step, 1.59898 hours remaining, 240.667969 MB of memory in use. ENERGY: 3161600 3955.2230 20681.2922 14445.2907 260.0309 -203471.7929 2418.5999 0.0000 0.0000 51592.6942 -110118.6620 296.5039 -161711.3562 -109765.5570 297.3731 -143.9273 -116.7031 761499.6461 -10.5715 -10.7268 PRESSURE: 3161800 220.109 -199.481 -23.4828 -199.481 122.019 72.7047 -23.4825 72.705 -312.234 GPRESSURE: 3161800 192.826 -204.602 -113.099 -157.038 226.738 -15.8658 32.4362 38.9666 -324.797 PRESSAVG: 3161800 10.6127 -73.2511 66.7037 -73.2511 9.1371 -17.8878 66.7037 -17.8879 -15.7424 GPRESSAVG: 3161800 9.29908 -71.5226 66.8766 -74.6769 9.84674 -17.6862 66.8578 -16.2752 -15.1555 TIMING: 3161800 CPU: 9991.78, 0.00314071/step Wall: 9991.78, 0.00314072/step, 1.60368 hours remaining, 240.667969 MB of memory in use. ENERGY: 3161800 3996.4781 20604.2408 14465.0336 261.5777 -203870.0142 2822.3127 0.0000 0.0000 51767.4903 -109952.8810 297.5085 -161720.3713 -109592.1868 297.9912 9.9643 31.5887 760736.3120 1.3358 1.3301 PRESSURE: 3162000 364.338 -29.614 234.531 -29.6133 56.6756 -26.9739 234.532 -26.9737 122.378 GPRESSURE: 3162000 423.752 -41.2786 265.13 -114.218 103.215 -61.0165 128.445 -47.4928 112.242 PRESSAVG: 3162000 81.6647 8.03085 22.6337 8.0309 -36.0116 15.0586 22.6337 15.0587 3.58604 GPRESSAVG: 3162000 81.4119 8.07654 23.8709 9.42195 -36.2831 14.5408 19.7236 14.4386 3.84916 TIMING: 3162000 CPU: 9992.41, 0.00315613/step Wall: 9992.41, 0.00315613/step, 1.61138 hours remaining, 240.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3162000 3996.0703 20511.0098 14408.2414 244.3267 -203800.3295 2884.4584 0.0000 0.0000 52077.7994 -109678.4235 299.2918 -161756.2229 -109316.5235 298.3091 181.1305 213.0696 760698.7153 16.4130 16.3260 PRESSURE: 3162200 -184.977 -51.7395 -207.968 -51.7404 -212.984 4.76371 -207.968 4.76393 -451.932 GPRESSURE: 3162200 -111.564 33.45 -286.034 -73.0358 -198.114 136.606 -114.581 -33.986 -445.266 PRESSAVG: 3162200 52.3361 -49.173 19.3967 -49.173 -43.3786 -46.6089 19.3966 -46.6089 20.8616 GPRESSAVG: 3162200 51.894 -46.7172 17.9493 -54.3977 -43.2295 -43.6108 19.6137 -48.7912 21.0023 TIMING: 3162200 CPU: 9993.04, 0.00312833/step Wall: 9993.04, 0.00312833/step, 1.59701 hours remaining, 240.667969 MB of memory in use. ENERGY: 3162200 3966.0129 20518.7670 14350.5767 228.2475 -203645.3739 2771.0078 0.0000 0.0000 51936.7175 -109874.0445 298.4810 -161810.7620 -109522.6968 298.8184 -283.2974 -251.6484 762766.4169 9.9397 9.8889 PRESSURE: 3162400 -31.4172 140.213 115.994 140.213 -47.995 102.835 115.994 102.835 -226.362 GPRESSURE: 3162400 97.7622 89.3614 204.435 53.9012 -40.6727 196.392 90.9552 45.4776 -263.806 PRESSAVG: 3162400 72.2788 -50.9744 3.30562 -50.9744 -54.2078 9.72583 3.3056 9.72572 7.16674 GPRESSAVG: 3162400 71.9103 -52.3852 2.83194 -47.7778 -53.9535 9.22223 4.91374 11.7297 7.20452 TIMING: 3162400 CPU: 9993.67, 0.00314085/step Wall: 9993.67, 0.00314085/step, 1.60323 hours remaining, 240.667969 MB of memory in use. ENERGY: 3162400 3981.3139 20414.6373 14375.1955 236.2737 -203428.4578 2630.2747 0.0000 0.0000 51795.0003 -109995.7625 297.6666 -161790.7628 -109633.4779 298.7100 -101.9246 -68.9056 762928.4249 8.4126 8.3871 PRESSURE: 3162600 -365.339 -30.1119 -8.54573 -30.1123 -202.957 100.913 -8.54634 100.912 -46.2744 GPRESSURE: 3162600 -254.494 -56.2764 -91.035 -57.4017 -186.151 69.1942 96.0722 131.247 -85.0846 PRESSAVG: 3162600 76.2602 3.56334 -15.6268 3.56334 -80.4245 16.2672 -15.6268 16.2672 -21.9909 GPRESSAVG: 3162600 75.8472 1.70689 -13.4389 3.74105 -80.303 15.5204 -17.461 16.1412 -22.0441 TIMING: 3162600 CPU: 9994.29, 0.0031315/step Wall: 9994.29, 0.0031315/step, 1.59828 hours remaining, 240.667969 MB of memory in use. ENERGY: 3162600 3858.5488 20641.5446 14372.1003 236.8630 -203385.1996 2488.7613 0.0000 0.0000 51960.2486 -109827.1328 298.6163 -161787.3814 -109469.6310 298.7652 -204.8566 -175.2431 763044.8108 -8.7184 -8.8333 PRESSURE: 3162800 -282.108 -196.023 -43.7173 -196.023 -163.861 -2.94186 -43.7173 -2.94262 78.517 GPRESSURE: 3162800 -221.927 -117.484 -114.984 -227.143 -70.0432 23.4178 -76.2494 3.40815 17.8697 PRESSAVG: 3162800 35.6184 -46.2146 -40.7602 -46.2146 -39.8676 18.2434 -40.7601 18.2433 18.6221 GPRESSAVG: 3162800 36.6408 -44.2323 -41.7381 -45.0794 -39.4455 17.1606 -38.4161 15.7562 17.2895 TIMING: 3162800 CPU: 9994.92, 0.00313043/step Wall: 9994.92, 0.00313043/step, 1.59756 hours remaining, 240.667969 MB of memory in use. ENERGY: 3162800 3990.0488 20474.5479 14310.8127 235.6668 -203591.7080 2765.4667 0.0000 0.0000 51941.6677 -109873.4973 298.5095 -161815.1650 -109507.6985 298.1421 -122.4839 -91.3667 763666.0035 4.7910 4.8283 PRESSURE: 3163000 21.5847 -73.8165 -71.661 -73.8156 376.889 91.1075 -71.6618 91.1073 -30.5633 GPRESSURE: 3163000 39.7547 -158.887 -11.0333 -62.8987 448.296 22.7862 -108.037 175.52 -53.9479 PRESSAVG: 3163000 27.1838 4.50943 -1.81102 4.50942 -19.0204 18.2501 -1.81098 18.2501 -20.3821 GPRESSAVG: 3163000 26.5219 2.95045 -2.09707 4.53343 -18.2599 17.0783 -3.69399 21.6265 -20.953 TIMING: 3163000 CPU: 9995.55, 0.003127/step Wall: 9995.55, 0.003127/step, 1.59564 hours remaining, 240.667969 MB of memory in use. ENERGY: 3163000 3966.5473 20632.3701 14355.9288 232.5444 -203208.7940 2404.2714 0.0000 0.0000 51810.1194 -109807.0125 297.7535 -161617.1319 -109450.4967 298.2985 122.6368 144.7009 763763.4704 -4.0729 -4.2303 PRESSURE: 3163200 -50.6543 -107.989 -91.8835 -107.988 158.848 72.6831 -91.8839 72.6827 43.4702 GPRESSURE: 3163200 -46.3574 -10.1157 -76.2486 -5.84542 142.782 48.6088 -102.044 149.961 150.099 PRESSAVG: 3163200 23.0612 3.86335 -2.45742 3.86335 -17.1203 -18.2909 -2.45743 -18.291 -13.4881 GPRESSAVG: 3163200 23.5017 5.98277 -3.32377 4.31844 -18.3078 -17.731 -1.1062 -17.9883 -12.7959 TIMING: 3163200 CPU: 9996.17, 0.00313699/step Wall: 9996.17, 0.00313699/step, 1.60056 hours remaining, 240.667969 MB of memory in use. ENERGY: 3163200 3906.5090 20522.6589 14309.6478 246.5520 -203627.5651 2752.4168 0.0000 0.0000 52139.1610 -109750.6196 299.6445 -161889.7806 -109385.1050 298.4142 50.5547 82.1743 762347.1216 -2.5157 -2.5340 PRESSURE: 3163400 -23.391 61.9236 54.4812 61.9247 -133.069 33.1682 54.4807 33.1683 -123.246 GPRESSURE: 3163400 28.473 15.8578 83.8927 -14.2833 -80.5167 -6.08935 -95.8676 -26.7536 -138.224 PRESSAVG: 3163400 0.752107 0.41606 10.6511 0.416026 10.7176 8.40527 10.6511 8.40532 -11.7504 GPRESSAVG: 3163400 0.285973 -0.0309786 10.6225 -0.241545 10.4406 7.67554 9.07188 7.80328 -11.1477 TIMING: 3163400 CPU: 9996.8, 0.00314317/step Wall: 9996.8, 0.00314317/step, 1.60354 hours remaining, 240.667969 MB of memory in use. ENERGY: 3163400 4105.0849 20476.0188 14387.1712 249.4663 -202978.9487 2494.3132 0.0000 0.0000 51803.9906 -109462.9037 297.7182 -161266.8943 -109117.2800 298.3947 -93.2354 -63.4225 762012.8810 -0.0936 -0.1404 PRESSURE: 3163600 44.9422 -119.32 -35.9505 -119.32 -79.5028 -114.413 -35.9498 -114.413 -431.397 GPRESSURE: 3163600 101.704 -159.582 -21.7237 64.265 -40.1434 -68.8775 6.12062 -105.689 -420.164 PRESSAVG: 3163600 55.7746 -44.3719 48.651 -44.3719 -30.6214 -2.67861 48.651 -2.67852 -9.52716 GPRESSAVG: 3163600 56.9705 -44.896 49.6246 -43.0007 -30.7042 -2.01234 48.3235 -3.20305 -11.0697 TIMING: 3163600 CPU: 9997.43, 0.00314862/step Wall: 9997.43, 0.00314862/step, 1.60615 hours remaining, 240.667969 MB of memory in use. ENERGY: 3163600 3961.7449 20301.3574 14434.0853 261.9463 -202997.3160 2615.7496 0.0000 0.0000 51961.7621 -109460.6704 298.6250 -161422.4325 -109093.2865 298.9265 -155.3192 -119.5346 763539.1566 5.2087 5.0656 PRESSURE: 3163800 -26.4319 -108.304 -188.811 -108.305 -90.6224 -108.006 -188.811 -108.006 153.289 GPRESSURE: 3163800 41.9243 -203.217 -257.149 -122.187 -60.6354 -55.8365 -120.329 -92.6564 116.762 PRESSAVG: 3163800 91.0917 -0.975317 60.7569 -0.975316 -82.4036 0.597019 60.7569 0.597034 11.8921 GPRESSAVG: 3163800 89.0122 -1.23573 60.3126 -4.35257 -81.1227 0.0289751 61.7763 0.327154 12.4141 TIMING: 3163800 CPU: 9998.07, 0.0031693/step Wall: 9998.07, 0.0031693/step, 1.61652 hours remaining, 240.667969 MB of memory in use. ENERGY: 3163800 4014.2039 20681.9124 14385.6474 253.2613 -203424.2645 2703.9621 0.0000 0.0000 51976.2504 -109409.0270 298.7082 -161385.2774 -109052.7400 299.5447 12.0783 32.6835 762475.3853 6.8601 6.7679 PRESSURE: 3164000 57.4205 89.0304 222.481 89.0292 139.032 197.198 222.481 197.198 -31.6597 GPRESSURE: 3164000 134.519 169.157 130.194 38.0031 96.9155 204.391 224.865 225.395 13.1055 PRESSAVG: 3164000 9.76619 -2.75496 -8.99715 -2.75495 -60.1234 -16.1031 -8.99719 -16.1032 -7.2321 GPRESSAVG: 3164000 9.89074 -1.16139 -7.62589 -2.69783 -61.5652 -12.9454 -7.95194 -17.7107 -6.1499 TIMING: 3164000 CPU: 9998.7, 0.00315874/step Wall: 9998.7, 0.00315874/step, 1.61096 hours remaining, 240.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3164000 4013.7300 20643.3375 14402.9201 252.4189 -203635.8205 2673.8527 0.0000 0.0000 52161.9060 -109487.6553 299.7752 -161649.5613 -109121.7602 299.0448 54.9310 81.5135 761903.3386 -19.1964 -19.2748 PRESSURE: 3164200 -53.572 -320.81 87.0857 -320.81 -222.525 -18.1655 87.0858 -18.165 -253.979 GPRESSURE: 3164200 50.9137 -275.69 146.771 -272.723 -288.74 -61.2421 52.9209 6.69825 -219.49 PRESSAVG: 3164200 14.4956 -30.0076 2.18756 -30.0076 3.28006 -51.1677 2.18755 -51.1676 26.6916 GPRESSAVG: 3164200 15.9519 -30.7864 1.22566 -28.2812 2.38515 -52.6733 2.01074 -49.5155 26.0862 TIMING: 3164200 CPU: 9999.33, 0.00317395/step Wall: 9999.33, 0.00317395/step, 1.61854 hours remaining, 240.667969 MB of memory in use. ENERGY: 3164200 4039.6018 20646.5901 14402.6317 240.4060 -203378.1505 2484.5035 0.0000 0.0000 52341.2908 -109223.1266 300.8061 -161564.4174 -108861.2098 300.1027 -176.6917 -152.4386 762627.8927 14.8224 14.8078 LDB: ============= START OF LOAD BALANCING ============== 10011.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10011.7 LDB: =============== DONE WITH MIGRATION ================ 10011.7 LDB: ============= START OF LOAD BALANCING ============== 10012 LDB: Largest compute 7067 load 0.031863 is 16.2% of average load 0.196205 LDB: Average compute 0.004392 is 2.2% of average load 0.196205 LDB: TIME 10012.1 LOAD: AVG 0.196205 MAX 0.213867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 10012.1 LOAD: AVG 0.196205 MAX 0.213867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.996 MB LDB: TIME 10012.1 LOAD: AVG 0.196205 MAX 0.213867 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.996 MB LDB: ============== END OF LOAD BALANCING =============== 10012.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 10012.1 Info: useSync: 0 useProxySync: 0 PRESSURE: 3164400 -114.978 -36.7349 163.495 -36.7348 219.835 75.5368 163.495 75.5378 317.035 GPRESSURE: 3164400 -51.9289 -42.2184 163.295 54.2525 251.256 100.272 151.931 30.6522 289.067 PRESSAVG: 3164400 17.513 1.60716 22.3616 1.60716 34.974 14.0441 22.3616 14.0441 6.54387 GPRESSAVG: 3164400 16.7976 1.1277 23.4074 1.63736 36.167 13.2807 21.7558 13.3472 6.16147 TIMING: 3164400 CPU: 9999.98, 0.0032237/step Wall: 9999.98, 0.0032237/step, 1.64373 hours remaining, 238.613281 MB of memory in use. ENERGY: 3164400 4043.2201 20769.0285 14354.2320 246.8193 -203568.8165 2724.6903 0.0000 0.0000 52248.8852 -109181.9410 300.2751 -161430.8263 -108816.1078 300.2139 140.6304 162.7983 762651.9225 19.6770 19.7087 PRESSURE: 3164600 -9.73262 108.852 -1.30976 108.852 -52.5642 -22.7342 -1.30928 -22.733 -47.5137 GPRESSURE: 3164600 85.8784 45.2984 1.50399 127.487 -65.9878 -14.3506 93.9502 -134.92 -38.3489 PRESSAVG: 3164600 24.672 4.53562 39.0431 4.53552 5.40479 33.3198 39.0431 33.3198 -5.35356 GPRESSAVG: 3164600 24.6225 3.85663 36.4198 5.53401 4.70408 33.4142 40.2103 32.3842 -4.35302 TIMING: 3164600 CPU: 10000.6, 0.00316869/step Wall: 10000.6, 0.00316869/step, 1.6155 hours remaining, 238.816406 MB of memory in use. ENERGY: 3164600 3959.7232 20538.6521 14386.4908 262.5464 -203555.0439 2609.6013 0.0000 0.0000 52652.4814 -109145.5487 302.5945 -161798.0301 -108771.2250 300.3405 -36.6035 -6.1528 761479.7070 8.2411 8.3245 PRESSURE: 3164800 -184.42 -135.725 -169.881 -135.725 111.739 -24.4415 -169.882 -24.4413 43.0675 GPRESSURE: 3164800 -139.869 -135.955 -145.801 -144.191 90.2827 68.2722 -276.485 136.322 102.985 PRESSAVG: 3164800 -6.5448 -54.635 -2.69899 -54.6349 -5.08562 -14.3201 -2.69898 -14.3201 -0.510694 GPRESSAVG: 3164800 -4.49264 -54.7247 -0.626397 -56.0104 -6.37143 -13.2898 -3.05936 -13.8242 -1.38882 TIMING: 3164800 CPU: 10001.2, 0.00315398/step Wall: 10001.2, 0.00315398/step, 1.60783 hours remaining, 238.816406 MB of memory in use. ENERGY: 3164800 3927.0212 20651.8298 14353.0610 238.3932 -203093.4837 2436.9696 0.0000 0.0000 52268.2522 -109217.9566 300.3864 -161486.2089 -108861.9606 300.2504 -9.8713 17.7996 760115.0188 -4.0470 -4.0843 PRESSURE: 3165000 -45.9074 -245.935 -10.9703 -245.934 -125.879 10.2357 -10.9698 10.2348 -52.6226 GPRESSURE: 3165000 -148.097 -134.407 -8.94951 -185.965 30.0389 -3.00204 -42.2891 -17.8272 -49.4802 PRESSAVG: 3165000 -12.3792 -50.6947 0.107344 -50.6947 -12.6713 9.94927 0.107344 9.94916 -17.565 GPRESSAVG: 3165000 -15.8379 -48.0417 -0.111379 -50.8289 -10.0342 9.02695 -0.759393 10.7906 -16.5203 TIMING: 3165000 CPU: 10001.9, 0.00316174/step Wall: 10001.9, 0.00316174/step, 1.61161 hours remaining, 238.816406 MB of memory in use. ENERGY: 3165000 4013.5883 20657.1389 14453.4803 241.3867 -203354.1174 2633.0110 0.0000 0.0000 52061.5122 -109294.0001 299.1982 -161355.5122 -108933.1979 300.3119 -74.8031 -55.8460 761882.1156 -14.2052 -14.1308 PRESSURE: 3165200 193.31 -51.9511 130.009 -51.9517 -55.9862 104.075 130.009 104.075 -43.0859 GPRESSURE: 3165200 161.815 -163.084 101.352 -23.9229 58.6132 65.7151 173.561 83.0121 -15.1483 PRESSAVG: 3165200 -28.9264 -57.1104 37.0437 -57.1104 -10.2838 -13.7391 37.0436 -13.7391 -12.4906 GPRESSAVG: 3165200 -29.9431 -58.6286 36.3927 -56.0734 -9.41488 -13.5397 37.0417 -14.337 -12.3901 TIMING: 3165200 CPU: 10002.5, 0.00317302/step Wall: 10002.5, 0.00317302/step, 1.61718 hours remaining, 238.816406 MB of memory in use. ENERGY: 3165200 4056.2637 20746.6849 14435.4280 250.0622 -203342.5308 2624.2099 0.0000 0.0000 52086.4546 -109143.4275 299.3416 -161229.8821 -108789.9831 300.5921 31.4127 68.4267 759359.8616 -17.2336 -17.2493 PRESSURE: 3165400 -280.542 -54.7241 80.1313 -54.7245 -131.201 -60.3522 80.132 -60.3507 -281.72 GPRESSURE: 3165400 -125.495 7.38952 70.4093 -87.0761 -222.125 -26.4276 109.726 -115.483 -259.517 PRESSAVG: 3165400 -24.3713 -50.8028 14.7202 -50.8029 14.9428 21.3697 14.7202 21.3697 2.85376 GPRESSAVG: 3165400 -22.4222 -52.4494 13.0356 -49.7066 14.3711 21.9163 16.9431 19.0892 1.45618 TIMING: 3165400 CPU: 10003.1, 0.00316827/step Wall: 10003.1, 0.00316828/step, 1.61459 hours remaining, 238.816406 MB of memory in use. ENERGY: 3165400 4036.0810 20538.7916 14434.9093 250.5285 -203177.2847 2326.2983 0.0000 0.0000 52246.0744 -109344.6016 300.2589 -161590.6760 -108977.4620 300.2301 -231.1545 -202.3790 760604.5614 -2.1916 -2.1983 PRESSURE: 3165600 -170.925 -34.7884 -31.5234 -34.7882 -151.746 -11.0876 -31.5222 -11.0879 -103.919 GPRESSURE: 3165600 -93.4566 -133.974 -24.6091 -30.9982 -232.336 13.9247 -14.9184 -14.3564 -19.6119 PRESSAVG: 3165600 16.8889 -13.7648 19.5823 -13.7647 -29.3078 -21.9019 19.5823 -21.9019 -6.74888 GPRESSAVG: 3165600 18.453 -12.7247 20.3431 -15.1195 -31.3669 -21.0383 16.986 -20.9038 -6.1164 TIMING: 3165600 CPU: 10003.8, 0.00315681/step Wall: 10003.8, 0.00315681/step, 1.60857 hours remaining, 238.816406 MB of memory in use. ENERGY: 3165600 3985.0369 20595.4568 14453.8712 247.0205 -203098.8823 2287.3845 0.0000 0.0000 52193.5840 -109336.5284 299.9572 -161530.1124 -108970.9409 299.8904 -142.1966 -115.1349 760517.3597 -6.3893 -6.3435 PRESSURE: 3165800 -137.498 -110.598 262.255 -110.597 105.611 -102.724 262.254 -102.724 58.4627 GPRESSURE: 3165800 -137.72 -2.19735 216.373 5.72253 154.343 -102.204 301.626 -167.687 81.2018 PRESSAVG: 3165800 30.2954 -38.3988 46.2394 -38.3989 -25.3361 -16.5813 46.2394 -16.5813 22.1067 GPRESSAVG: 3165800 29.2257 -38.1408 47.6008 -36.7734 -24.0225 -18.4201 47.2643 -16.3871 22.4166 TIMING: 3165800 CPU: 10004.4, 0.0031516/step Wall: 10004.4, 0.0031516/step, 1.60574 hours remaining, 238.816406 MB of memory in use. ENERGY: 3165800 3997.3377 20818.2313 14401.7406 232.9945 -203241.7088 2468.0806 0.0000 0.0000 52092.8737 -109230.4504 299.3785 -161323.3242 -108867.4758 299.6425 8.8587 32.6081 759484.6339 9.0220 9.2066 PRESSURE: 3166000 -477.916 -176.792 193.775 -176.793 -324.155 72.3781 193.775 72.3788 -481.094 GPRESSURE: 3166000 -423.66 -81.6992 184.881 -131.897 -310.328 109.763 192.526 72.4071 -460.683 PRESSAVG: 3166000 17.9859 1.95055 18.08 1.95057 -0.867313 -30.5028 18.0799 -30.5028 19.2523 GPRESSAVG: 3166000 18.65 -1.07449 18.6132 2.02111 -0.709236 -30.2564 17.3951 -32.1678 18.1314 TIMING: 3166000 CPU: 10005, 0.00314255/step Wall: 10005, 0.00314255/step, 1.60096 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3166000 4091.7893 20665.6231 14392.8780 234.2815 -202991.4443 2421.4522 0.0000 0.0000 52218.7295 -108966.6907 300.1018 -161185.4202 -108613.9328 299.9727 -427.7217 -398.2236 762839.3575 12.1236 12.0241 PRESSURE: 3166200 28.9651 61.5909 149.02 61.5902 -192.95 -3.3222 149.02 -3.32205 -166.052 GPRESSURE: 3166200 105.502 52.3101 147.2 165.987 -205.287 178.938 119.163 84.6468 -131.897 PRESSAVG: 3166200 -11.1751 -9.8353 43.1203 -9.83528 -9.26211 13.0521 43.1204 13.052 9.63546 GPRESSAVG: 3166200 -10.5754 -7.55774 44.0011 -12.0319 -10.5808 13.5412 43.0094 13.195 10.4732 TIMING: 3166200 CPU: 10005.7, 0.00313869/step Wall: 10005.7, 0.00313869/step, 1.59882 hours remaining, 238.816406 MB of memory in use. ENERGY: 3166200 4081.2092 20621.5386 14514.9148 239.6744 -203194.7152 2536.2055 0.0000 0.0000 52181.3640 -109019.8088 299.8870 -161201.1728 -108653.3890 300.1114 -110.0123 -77.2274 761418.8070 -3.6006 -3.5610 PRESSURE: 3166400 205.21 116.262 -52.1283 116.262 -20.8703 57.6739 -52.1282 57.6737 116.033 GPRESSURE: 3166400 183.669 207.225 -18.3066 45.055 -5.10629 36.6265 95.4206 -66.8729 203.557 PRESSAVG: 3166400 48.6766 -29.611 20.8825 -29.6111 -49.2393 -0.0138929 20.8825 -0.0138732 12.4448 GPRESSAVG: 3166400 47.0535 -32.4474 19.5821 -27.1833 -48.2661 0.439359 22.6952 0.498908 12.8801 TIMING: 3166400 CPU: 10006.3, 0.00313542/step Wall: 10006.3, 0.00313542/step, 1.59697 hours remaining, 238.816406 MB of memory in use. ENERGY: 3166400 4008.9859 20788.6904 14444.1546 264.8047 -203732.9773 2960.9456 0.0000 0.0000 52156.3903 -109109.0058 299.7435 -161265.3961 -108763.8482 300.3121 100.1241 127.3733 760814.5404 3.9607 3.8892 PRESSURE: 3166600 -299.366 -303.748 -32.7647 -303.749 -1.45118 -264.038 -32.7651 -264.039 -231.632 GPRESSURE: 3166600 -252.398 -359.919 35.7051 -178.941 75.087 -135.818 30.7683 -315.758 -253.233 PRESSAVG: 3166600 28.0561 37.6185 30.5702 37.6184 12.9331 28.3086 30.5702 28.3087 -9.74395 GPRESSAVG: 3166600 28.8557 38.8521 31.1558 38.8745 12.935 28.2531 29.7792 29.5281 -10.9575 TIMING: 3166600 CPU: 10006.9, 0.00314233/step Wall: 10006.9, 0.00314233/step, 1.60032 hours remaining, 238.816406 MB of memory in use. ENERGY: 3166600 3957.0682 20530.9315 14426.7110 239.4878 -202901.9563 2272.2618 0.0000 0.0000 52304.5935 -109170.9025 300.5952 -161475.4960 -108793.3087 300.4937 -177.4831 -143.5149 760800.4540 10.4151 10.2777 PRESSURE: 3166800 -100.426 74.9782 5.91198 74.979 -256.909 -68.4122 5.91216 -68.4117 65.2993 GPRESSURE: 3166800 -89.0294 15.0527 27.8409 65.978 -165.624 -23.1241 14.8867 -193.684 51.9492 PRESSAVG: 3166800 -1.32123 12.0727 -34.9597 12.0727 -25.6563 -34.9592 -34.9597 -34.9591 -10.0203 GPRESSAVG: 3166800 -1.83583 12.7186 -34.4695 9.98655 -25.4974 -35.2728 -36.7641 -35.9143 -9.93364 TIMING: 3166800 CPU: 10007.5, 0.00316175/step Wall: 10007.5, 0.00316175/step, 1.61003 hours remaining, 238.816406 MB of memory in use. ENERGY: 3166800 3934.8254 20619.4871 14426.3749 240.8890 -203210.9504 2437.5063 0.0000 0.0000 52316.5982 -109235.2694 300.6642 -161551.8676 -108869.2396 299.9433 -97.3451 -67.5681 761459.1717 -12.3326 -12.4223 PRESSURE: 3167000 -212.515 -164.039 -201.905 -164.038 4.60971 153.414 -201.904 153.415 -201.17 GPRESSURE: 3167000 -165.648 -128.865 -204.017 -80.6295 26.653 113.139 -216.861 189.329 -207.424 PRESSAVG: 3167000 -16.1752 18.1608 4.54777 18.1608 -7.82033 70.5165 4.54777 70.5166 -9.53207 GPRESSAVG: 3167000 -16.1993 18.4068 2.55695 17.9514 -8.19174 70.0574 6.37212 71.8921 -8.86852 TIMING: 3167000 CPU: 10008.2, 0.00315238/step Wall: 10008.2, 0.00315238/step, 1.60509 hours remaining, 238.816406 MB of memory in use. ENERGY: 3167000 4062.5422 20536.2261 14452.4396 249.6453 -203457.5539 2474.8953 0.0000 0.0000 52385.3770 -109296.4284 301.0595 -161681.8055 -108941.7548 300.1622 -136.3584 -115.4733 763346.7307 -11.1759 -11.0865 PRESSURE: 3167200 -356.885 -93.6611 -200.374 -93.6613 27.0878 -30.6437 -200.374 -30.6431 242.704 GPRESSURE: 3167200 -187.876 -75.5398 -114.561 -42.9347 37.5381 -19.6574 -313.676 -31.3622 149.016 PRESSAVG: 3167200 3.86641 -4.08432 -39.1585 -4.08425 3.80348 21.6985 -39.1585 21.6985 -8.43929 GPRESSAVG: 3167200 3.58018 -0.89905 -40.0571 -4.59542 4.28821 22.8926 -39.6061 18.5739 -8.78517 TIMING: 3167200 CPU: 10008.8, 0.00316943/step Wall: 10008.8, 0.00316943/step, 1.61359 hours remaining, 238.816406 MB of memory in use. ENERGY: 3167200 3954.6342 20812.7413 14411.0584 237.7677 -203515.4512 2729.9169 0.0000 0.0000 51960.7149 -109408.6178 298.6189 -161369.3327 -109048.7506 299.6113 -29.0311 -0.4407 762751.3315 -0.2565 -0.3056 PRESSURE: 3167400 11.7898 63.9545 86.8048 63.9543 -304.668 18.6119 86.8044 18.6118 -443.117 GPRESSURE: 3167400 10.0642 76.7989 4.53021 -19.4416 -217.857 45.3507 150.43 10.0001 -433.887 PRESSAVG: 3167400 21.3772 -18.9719 11.7507 -18.9718 -14.6059 43.562 11.7507 43.562 -13.467 GPRESSAVG: 3167400 20.5942 -21.206 14.0749 -18.1828 -14.1638 41.8683 11.4822 45.4859 -13.073 TIMING: 3167400 CPU: 10009.4, 0.00317136/step Wall: 10009.4, 0.00317136/step, 1.6144 hours remaining, 238.816406 MB of memory in use. ENERGY: 3167400 4075.3561 20588.7851 14458.0967 237.0243 -203755.8005 2691.0336 0.0000 0.0000 52410.5246 -109294.9802 301.2040 -161705.5048 -108930.1659 300.0708 -245.3318 -213.8933 761787.4125 -2.2319 -2.2142 PRESSURE: 3167600 -163.824 83.3066 -20.2755 83.3073 -57.159 -221.783 -20.2756 -221.783 -13.7025 GPRESSURE: 3167600 -170.662 128.29 -31.4929 70.1403 10.7613 -273.817 -43.1669 -426.864 -13.797 PRESSAVG: 3167600 47.0844 -35.1919 31.6608 -35.1919 -45.6803 12.2705 31.6609 12.2704 6.08673 GPRESSAVG: 3167600 46.1869 -34.3697 31.2011 -38.222 -44.3504 13.4567 32.4414 12.6841 5.12821 TIMING: 3167600 CPU: 10010.1, 0.0031819/step Wall: 10010.1, 0.0031819/step, 1.61959 hours remaining, 238.816406 MB of memory in use. ENERGY: 3167600 4083.0967 20709.7037 14452.9893 247.7664 -203005.1741 2120.8130 0.0000 0.0000 52068.5571 -109322.2479 299.2387 -161390.8050 -108977.3179 300.0917 -78.2284 -57.8992 760888.2977 2.4970 2.3216 PRESSURE: 3167800 437.829 19.4498 -11.1972 19.4499 -37.1074 142.124 -11.1965 142.124 -25.7036 GPRESSURE: 3167800 509.47 29.3322 8.56978 59.3456 -6.35733 66.436 -17.872 190.222 -32.1929 PRESSAVG: 3167800 74.1205 -34.9813 35.9325 -34.9813 -17.9481 -3.14933 35.9325 -3.14932 -14.3941 GPRESSAVG: 3167800 75.4599 -38.2175 35.1377 -31.5277 -20.4886 -5.00826 34.2117 -3.01323 -13.1658 TIMING: 3167800 CPU: 10010.7, 0.00315427/step Wall: 10010.7, 0.00315427/step, 1.60535 hours remaining, 238.816406 MB of memory in use. ENERGY: 3167800 3955.5215 20613.4603 14374.5251 244.7178 -203397.2760 2506.2133 0.0000 0.0000 52308.5841 -109394.2538 300.6182 -161702.8378 -109031.1787 300.1959 125.0062 156.9733 758611.0584 13.9261 13.9352 PRESSURE: 3168000 -36.4458 -48.9673 112.521 -48.9668 -37.2588 -153.379 112.52 -153.381 -154.614 GPRESSURE: 3168000 46.3841 -22.8302 53.1445 123.343 42.6267 -174.512 139.822 -75.4126 -214.029 PRESSAVG: 3168000 69.5107 0.917153 3.57711 0.917171 -59.0136 -12.1696 3.57715 -12.1696 35.2443 GPRESSAVG: 3168000 70.0489 1.56334 2.85759 2.01154 -58.237 -11.2422 4.01566 -12.9049 33.5972 TIMING: 3168000 CPU: 10011.3, 0.00315728/step Wall: 10011.3, 0.00315728/step, 1.60671 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3168000 3955.1249 20530.4379 14463.3092 245.6277 -203377.8473 2598.9204 0.0000 0.0000 52277.6376 -109306.7897 300.4403 -161584.4273 -108946.9801 299.9114 -76.1060 -41.6728 760436.0913 15.2472 15.1364 PRESSURE: 3168200 159.625 -156.809 67.4802 -156.808 -175.99 -23.3483 67.4796 -23.3496 175.725 GPRESSURE: 3168200 208.204 7.84248 98.7965 -104.125 -162.8 -44.2798 15.32 206.884 198.223 PRESSAVG: 3168200 36.2376 -22.966 44.4058 -22.966 -32.5846 4.49732 44.4058 4.49738 8.06128 GPRESSAVG: 3168200 34.297 -23.0318 46.5476 -23.633 -30.2863 4.37803 42.9696 6.12581 7.63433 TIMING: 3168200 CPU: 10012, 0.00314838/step Wall: 10012, 0.00314838/step, 1.602 hours remaining, 238.816406 MB of memory in use. ENERGY: 3168200 3964.5421 20594.0180 14491.3667 262.5897 -203720.6280 2719.1979 0.0000 0.0000 52223.9039 -109465.0097 300.1315 -161688.9136 -109095.4689 300.1474 53.1200 81.2092 761244.3796 3.9047 3.8817 LDB: ============= START OF LOAD BALANCING ============== 10024.4 LDB: ============== END OF LOAD BALANCING =============== 10024.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10024.4 LDB: ============= START OF LOAD BALANCING ============== 10024.7 LDB: Largest compute 7045 load 0.032213 is 16.4% of average load 0.196107 LDB: Average compute 0.004393 is 2.2% of average load 0.196107 LDB: TIME 10024.7 LOAD: AVG 0.196107 MAX 0.214255 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 10024.7 LOAD: AVG 0.196107 MAX 0.214255 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.48 MB LDB: TIME 10024.7 LOAD: AVG 0.196107 MAX 0.214255 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.48 MB LDB: ============== END OF LOAD BALANCING =============== 10024.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10024.7 PRESSURE: 3168400 -70.6289 86.1639 -43.6669 86.1643 -220.867 182.943 -43.6668 182.944 -602.067 GPRESSURE: 3168400 -70.9325 100.568 -33.7811 36.3999 -247.745 73.6369 7.09136 274.779 -508.03 PRESSAVG: 3168400 82.7186 -35.1315 -13.4417 -35.1314 -81.9049 -5.73624 -13.4417 -5.7362 -9.39741 GPRESSAVG: 3168400 83.6839 -34.5548 -13.6989 -34.552 -84.9147 -3.06293 -12.7375 -7.79172 -7.74294 TIMING: 3168400 CPU: 10012.6, 0.00322272/step Wall: 10012.6, 0.00322272/step, 1.63965 hours remaining, 239.125000 MB of memory in use. ENERGY: 3168400 3992.6141 20480.7543 14444.4812 252.6127 -203442.4666 2571.0792 0.0000 0.0000 52331.3268 -109369.5983 300.7489 -161700.9252 -109002.0254 300.1899 -297.8543 -275.5690 761930.3065 -2.8612 -2.9913 PRESSURE: 3168600 -0.307338 70.8557 -44.5277 70.8555 -265.528 152.86 -44.5284 152.86 -628.38 GPRESSURE: 3168600 -11.925 32.6388 -25.9987 66.1581 -222.42 163.378 -82.821 142.689 -566.629 PRESSAVG: 3168600 20.8245 -3.30729 -33.025 -3.30727 -54.2039 -25.0689 -33.0249 -25.0689 -31.1112 GPRESSAVG: 3168600 20.3506 -4.91438 -33.7186 -2.43633 -53.7037 -26.4444 -29.1306 -26.5865 -31.151 TIMING: 3168600 CPU: 10013.2, 0.00315033/step Wall: 10013.2, 0.00315033/step, 1.60264 hours remaining, 239.328125 MB of memory in use. ENERGY: 3168600 4018.7778 20549.7839 14378.3483 249.3131 -203446.2669 2529.9392 0.0000 0.0000 52303.0793 -109417.0254 300.5865 -161720.1047 -109045.7783 299.8126 -298.0719 -266.9913 761851.6019 -21.4969 -21.5014 PRESSURE: 3168800 148.338 -41.6339 -31.7513 -41.6339 61.3241 -47.7489 -31.752 -47.7475 69.2759 GPRESSURE: 3168800 210.085 80.2506 -48.726 9.9438 96.5383 78.3905 -56.5799 25.3918 50.4542 PRESSAVG: 3168800 41.5094 -18.6914 -4.50213 -18.6913 -52.5107 -10.4978 -4.50214 -10.4978 -17.0492 GPRESSAVG: 3168800 43.6284 -16.3132 -4.76994 -21.8456 -53.8099 -10.3204 -6.7901 -7.01045 -17.51 TIMING: 3168800 CPU: 10013.9, 0.00314024/step Wall: 10013.9, 0.00314024/step, 1.59733 hours remaining, 239.328125 MB of memory in use. ENERGY: 3168800 4022.2695 20506.5261 14364.6085 258.4584 -203271.2140 2379.9636 0.0000 0.0000 52136.4414 -109602.9464 299.6288 -161739.3878 -109234.6890 299.5944 92.9792 119.0257 760238.8146 -9.3502 -9.2305 PRESSURE: 3169000 -86.8774 -4.05306 -73.9388 -4.05441 -97.5565 -178.125 -73.9392 -178.124 171.588 GPRESSURE: 3169000 -85.9764 -57.5926 -117.944 85.8811 13.1447 -173.111 -112.744 -141.526 137.78 PRESSAVG: 3169000 57.8413 -23.4887 -3.69913 -23.4887 -19.1863 -18.6446 -3.69911 -18.6446 27.6405 GPRESSAVG: 3169000 55.7648 -26.508 -5.45945 -20.6173 -16.8361 -18.3862 -3.89978 -20.0221 26.8135 TIMING: 3169000 CPU: 10014.5, 0.00315049/step Wall: 10014.5, 0.00315049/step, 1.60238 hours remaining, 239.328125 MB of memory in use. ENERGY: 3169000 4007.1743 20598.1886 14413.1374 247.9576 -203307.1969 2373.3661 0.0000 0.0000 51939.6198 -109727.7531 298.4977 -161667.3730 -109357.8284 299.1717 -4.2819 21.6494 760934.4959 22.0985 21.9141 PRESSURE: 3169200 169.37 143.732 121.119 143.731 81.9161 -18.2273 121.118 -18.2261 113.887 GPRESSURE: 3169200 172.036 138.661 118.124 106.884 115.401 -154.682 125.986 -35.0446 132.797 PRESSAVG: 3169200 6.89545 27.6826 -33.4008 27.6826 11.0824 -58.016 -33.4007 -58.0159 -13.3102 GPRESSAVG: 3169200 6.16943 31.0459 -31.5551 26.6119 10.6543 -61.0747 -33.863 -56.8984 -12.6098 TIMING: 3169200 CPU: 10015.1, 0.00314056/step Wall: 10015.1, 0.00314056/step, 1.59715 hours remaining, 239.328125 MB of memory in use. ENERGY: 3169200 3980.7534 20653.4245 14411.4726 248.8723 -203676.1091 2658.2076 0.0000 0.0000 51965.8671 -109757.5116 298.6486 -161723.3787 -109409.2775 299.1523 121.7246 140.0783 760578.4467 1.5559 1.4046 PRESSURE: 3169400 -6.0377 7.79858 65.4398 7.79911 -10.2856 -47.8191 65.4385 -47.8197 -40.1633 GPRESSURE: 3169400 76.2382 40.6345 -26.6645 -11.8738 32.3008 -11.8645 45.3107 -62.5109 -76.9803 PRESSAVG: 3169400 1.54576 8.7303 14.3808 8.73023 13.9692 -41.9019 14.3808 -41.9019 10.5878 GPRESSAVG: 3169400 3.27143 7.29699 15.7129 8.08634 13.9269 -39.2288 12.8922 -41.8164 8.91854 TIMING: 3169400 CPU: 10015.8, 0.00314922/step Wall: 10015.8, 0.00314922/step, 1.60138 hours remaining, 239.328125 MB of memory in use. ENERGY: 3169400 3984.0986 20546.5541 14407.3323 254.2712 -203598.2821 2510.1547 0.0000 0.0000 52234.1130 -109661.7583 300.1902 -161895.8713 -109293.2269 299.6540 -18.8289 10.5196 759078.0209 8.7009 8.7056 PRESSURE: 3169600 -182.406 -41.3353 -89.7777 -41.3355 -260.531 -50.461 -89.7776 -50.4609 -221.242 GPRESSURE: 3169600 -243.116 3.58209 -127.62 74.326 -172.271 31.4444 -171.43 -22.208 -154.931 PRESSAVG: 3169600 43.4493 -50.716 8.81497 -50.716 -38.6127 45.0108 8.81502 45.0109 -3.4767 GPRESSAVG: 3169600 43.0559 -49.6829 8.81361 -49.2118 -39.6362 44.9655 9.33601 46.6995 -1.88992 TIMING: 3169600 CPU: 10016.4, 0.00314568/step Wall: 10016.4, 0.00314567/step, 1.5994 hours remaining, 239.328125 MB of memory in use. ENERGY: 3169600 3941.1985 20531.1357 14358.0423 258.9351 -202762.3430 1990.7227 0.0000 0.0000 51945.3333 -109736.9754 298.5305 -161682.3087 -109369.8034 298.5284 -221.3929 -190.1061 761253.5415 0.4533 0.5099 PRESSURE: 3169800 59.5707 108.132 4.14189 108.131 -14.8036 -48.801 4.14236 -48.802 536.065 GPRESSURE: 3169800 83.0528 58.3486 -2.54698 -2.77137 88.3031 -48.1574 64.9493 -118.278 515.561 PRESSAVG: 3169800 16.2272 -9.80179 19.2434 -9.80186 41.3991 -30.4048 19.2435 -30.4047 8.88305 GPRESSAVG: 3169800 15.1622 -10.5643 19.2749 -10.5114 40.9618 -30.5389 18.9005 -33.4892 10.0024 TIMING: 3169800 CPU: 10017, 0.00315567/step Wall: 10017, 0.00315568/step, 1.60431 hours remaining, 239.328125 MB of memory in use. ENERGY: 3169800 3956.2850 20499.6853 14338.9457 266.3385 -203881.2474 2997.4835 0.0000 0.0000 51911.7436 -109910.7657 298.3375 -161822.5093 -109546.7205 298.9442 193.6107 228.9724 760185.2496 22.1698 22.0421 PRESSURE: 3170000 -7.65762 -9.2632 46.4579 -9.26421 61.0149 109.07 46.4578 109.07 123.346 GPRESSURE: 3170000 -29.0996 -7.94609 -9.21385 64.6404 211.141 47.7478 84.5243 61.7099 92.6819 PRESSAVG: 3170000 26.6804 -26.0895 18.054 -26.0895 17.4165 66.2937 18.054 66.2938 25.6473 GPRESSAVG: 3170000 27.3859 -27.6147 17.9806 -25.1245 17.6756 66.7472 18.1594 66.7269 25.1091 TIMING: 3170000 CPU: 10017.7, 0.00314122/step Wall: 10017.7, 0.00314122/step, 1.59679 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3170000 3936.8762 20582.6389 14373.8358 254.2337 -203677.9413 2484.9083 0.0000 0.0000 52012.2679 -110033.1804 298.9152 -162045.4483 -109677.3542 298.6011 58.9010 91.5746 760550.8786 23.2481 23.3902 PRESSURE: 3170200 -46.4654 -97.8368 67.0005 -97.8364 155.5 120.698 66.9994 120.698 -15.3584 GPRESSURE: 3170200 -3.75301 61.7867 123.574 -162.834 150.746 180.711 101.192 61.7808 37.7329 PRESSAVG: 3170200 -40.7329 -87.5685 -2.4853 -87.5684 -2.20265 29.2961 -2.48534 29.2961 -8.79771 GPRESSAVG: 3170200 -40.3498 -85.1529 -4.43954 -89.2758 -2.04365 28.7096 -1.01411 30.5881 -9.1541 TIMING: 3170200 CPU: 10018.3, 0.003125/step Wall: 10018.3, 0.003125/step, 1.58837 hours remaining, 239.328125 MB of memory in use. ENERGY: 3170200 3977.8137 20466.1067 14401.8841 218.1706 -203185.4230 2241.4371 0.0000 0.0000 51897.7822 -109982.2287 298.2573 -161880.0108 -109623.2044 298.7529 31.2254 61.5755 761948.5081 -17.2444 -17.1825 PRESSURE: 3170400 107.168 55.124 -84.7182 55.1237 -165.935 65.2666 -84.7184 65.2665 629.425 GPRESSURE: 3170400 38.1389 73.7885 -53.4152 17.3685 -49.8554 -4.57033 -55.0271 160.099 667.626 PRESSAVG: 3170400 12.0641 -29.2592 -25.5652 -29.2593 -22.3736 32.8947 -25.5652 32.8947 7.02941 GPRESSAVG: 3170400 10.2264 -29.868 -24.8878 -28.4768 -21.8306 34.1771 -24.0898 31.2476 7.71618 TIMING: 3170400 CPU: 10018.9, 0.0031409/step Wall: 10018.9, 0.0031409/step, 1.59628 hours remaining, 239.328125 MB of memory in use. ENERGY: 3170400 3949.2469 20410.6868 14360.1679 231.8992 -203819.0484 2802.6475 0.0000 0.0000 52031.6480 -110032.7523 299.0266 -162064.4002 -109675.9737 297.8659 190.2194 218.6364 761011.6299 -1.0934 -1.2960 PRESSURE: 3170600 -135.093 -125.509 75.0268 -125.509 -141.205 -88.2726 75.0263 -88.2725 -181.451 GPRESSURE: 3170600 -123.126 -175.427 103.201 -118 -113.704 -133.792 81.1769 -36.8186 -139.755 PRESSAVG: 3170600 33.3632 -15.5977 27.415 -15.5976 -87.0906 21.4091 27.415 21.4091 -5.06077 GPRESSAVG: 3170600 34.7627 -18.2542 28.7639 -13.1588 -86.7013 21.3798 26.9604 22.5514 -6.84278 TIMING: 3170600 CPU: 10019.5, 0.00314575/step Wall: 10019.5, 0.00314575/step, 1.59857 hours remaining, 239.328125 MB of memory in use. ENERGY: 3170600 4042.6747 20497.2446 14445.0687 245.1638 -203290.4928 2356.7844 0.0000 0.0000 51803.5682 -109899.9885 297.7158 -161703.5567 -109552.5147 297.9219 -152.5832 -125.5284 760024.3179 -19.5961 -19.5938 PRESSURE: 3170800 -201.746 129.236 42.9347 129.236 -310.072 259.346 42.9351 259.347 -109.317 GPRESSURE: 3170800 -178.649 208.614 -32.3989 155.696 -300.688 200.901 68.3076 189.63 -58.4344 PRESSAVG: 3170800 55.1823 -56.9756 32.6117 -56.9757 12.2414 35.6234 32.6117 35.6233 -6.71859 GPRESSAVG: 3170800 55.3869 -56.7705 30.7494 -58.2792 11.1244 34.8274 32.8862 33.0748 -5.85867 TIMING: 3170800 CPU: 10020.2, 0.00315138/step Wall: 10020.2, 0.00315138/step, 1.60125 hours remaining, 239.328125 MB of memory in use. ENERGY: 3170800 3972.7455 20716.3629 14368.4961 233.9814 -203160.8271 2372.7294 0.0000 0.0000 51639.0658 -109857.4459 296.7704 -161496.5118 -109506.8773 298.0970 -207.0451 -179.2572 760035.1778 20.2350 20.2176 PRESSURE: 3171000 70.7721 -207.143 142.694 -207.143 193.318 88.3431 142.694 88.3425 286.656 GPRESSURE: 3171000 116.01 -185.629 140.728 -245.941 241.892 17.3293 122.208 184.863 268.195 PRESSAVG: 3171000 -10.9002 -51.0265 48.2368 -51.0265 -5.91418 2.74425 48.2367 2.74424 27.2011 GPRESSAVG: 3171000 -10.9525 -49.196 48.1004 -52.7765 -6.04666 2.54159 46.5614 5.27593 27.0086 TIMING: 3171000 CPU: 10020.8, 0.00316224/step Wall: 10020.8, 0.00316224/step, 1.60659 hours remaining, 239.328125 MB of memory in use. ENERGY: 3171000 3958.2618 20665.0215 14400.3660 247.3953 -203389.5628 2616.3495 0.0000 0.0000 51697.3489 -109804.8198 297.1054 -161502.1686 -109458.5842 298.7169 183.5818 208.6989 762117.9923 3.4622 3.3365 PRESSURE: 3171200 -173.584 -36.7115 -263.939 -36.7113 -242.54 -172.846 -263.938 -172.845 -400.845 GPRESSURE: 3171200 -126.852 -5.57895 -315.891 -80.1842 -247.23 -127.856 -397.326 -149.557 -362.718 PRESSAVG: 3171200 56.6085 -33.2035 9.54514 -33.2035 -70.5785 -32.2607 9.54512 -32.2607 -1.54273 GPRESSAVG: 3171200 57.565 -33.5816 10.3316 -31.7033 -71.4138 -32.2857 9.74718 -33.3375 -1.26986 TIMING: 3171200 CPU: 10021.4, 0.00316334/step Wall: 10021.4, 0.00316334/step, 1.60698 hours remaining, 239.328125 MB of memory in use. ENERGY: 3171200 3963.2999 20412.4020 14461.7700 254.8878 -203250.3952 2559.9743 0.0000 0.0000 52069.7461 -109528.3152 299.2455 -161598.0612 -109163.0914 298.9864 -272.3230 -245.5999 763079.0895 -5.1709 -5.0396 PRESSURE: 3171400 136.617 127.539 71.1174 127.54 174.522 -158.49 71.1176 -158.49 116.107 GPRESSURE: 3171400 188.599 81.0835 122.07 129.959 160.984 -171.593 30.1169 -28.8943 176.648 PRESSAVG: 3171400 15.07 -29.1334 52.5761 -29.1333 10.0829 16.6309 52.5761 16.631 8.55425 GPRESSAVG: 3171400 14.3983 -28.1945 52.8926 -28.8274 10.4906 17.1704 52.7738 16.4536 8.45589 TIMING: 3171400 CPU: 10022.1, 0.00317086/step Wall: 10022.1, 0.00317086/step, 1.61062 hours remaining, 239.328125 MB of memory in use. ENERGY: 3171400 3991.4516 20566.0533 14437.2100 247.4914 -203311.6595 2457.8645 0.0000 0.0000 52173.7650 -109437.8239 299.8433 -161611.5888 -109076.4106 299.2757 142.4151 175.4101 760600.9310 11.2357 11.1149 PRESSURE: 3171600 -46.893 -256.344 167.91 -256.344 -414.505 -93.1797 167.911 -93.1793 339.575 GPRESSURE: 3171600 -5.3899 -159.059 133.54 -330.133 -311.303 -39.2155 43.71 -56.1512 300.692 PRESSAVG: 3171600 -4.27771 -87.0145 31.7033 -87.0145 31.5562 30.3578 31.7034 30.3579 4.49923 GPRESSAVG: 3171600 -4.47991 -87.9002 32.0985 -88.0931 32.9496 30.478 29.6686 29.3031 3.93042 TIMING: 3171600 CPU: 10022.7, 0.00316114/step Wall: 10022.7, 0.00316114/step, 1.60551 hours remaining, 239.328125 MB of memory in use. ENERGY: 3171600 3995.1896 20472.2815 14387.8747 241.0049 -202849.2260 2249.1969 0.0000 0.0000 52171.5642 -109332.1141 299.8307 -161503.6783 -108963.2889 299.9275 -40.6075 -5.3337 762238.1610 10.5926 10.8000 PRESSURE: 3171800 201.963 12.5737 98.967 12.5746 -75.7715 217.211 98.9665 217.211 114.516 GPRESSURE: 3171800 400.888 -58.1366 140.432 48.2629 -160.295 185.98 89.6847 269.596 70.9457 PRESSAVG: 3171800 54.921 -47.7407 10.0246 -47.7407 -7.39736 -25.3358 10.0245 -25.3358 1.82945 GPRESSAVG: 3171800 54.1016 -47.0325 8.76018 -44.8691 -6.03678 -25.1226 12.3132 -23.5226 1.05043 TIMING: 3171800 CPU: 10023.3, 0.00317014/step Wall: 10023.3, 0.00317014/step, 1.6099 hours remaining, 239.328125 MB of memory in use. ENERGY: 3171800 3940.0736 20611.1146 14416.7711 265.1438 -203211.6576 2526.5519 0.0000 0.0000 52090.0476 -109361.9550 299.3622 -161452.0026 -109005.4702 299.8875 80.2356 103.8461 759472.5734 16.4510 16.3717 PRESSURE: 3172000 -9.61919 -53.8947 -86.9891 -53.8949 -168.806 79.6469 -86.9891 79.6478 132.251 GPRESSURE: 3172000 111.013 12.3765 58.0458 76.9017 -209.553 20.6491 -74.1036 114.358 124.633 PRESSAVG: 3172000 58.5751 -76.5883 35.8064 -76.5883 -7.48074 -3.11742 35.8064 -3.11746 14.2493 GPRESSAVG: 3172000 58.6132 -78.0202 36.0836 -77.9843 -8.32652 -3.51678 35.0157 -2.46629 14.66 TIMING: 3172000 CPU: 10024, 0.00316499/step Wall: 10024, 0.00316499/step, 1.60711 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3172000 3969.3667 20407.4373 14441.0913 262.0985 -203551.4437 2641.3896 0.0000 0.0000 52291.1913 -109538.8689 300.5182 -161830.0602 -109175.5420 299.6684 -15.3913 8.6974 759745.9057 21.7812 21.6489 PRESSURE: 3172200 244.788 -14.5062 93.041 -14.5052 106.589 127.672 93.0415 127.672 221.687 GPRESSURE: 3172200 240.298 -0.209627 80.3797 27.7214 210.745 23.8839 43.5962 129.789 211.272 PRESSAVG: 3172200 39.4338 -20.136 -6.10731 -20.136 -42.3787 19.318 -6.10724 19.318 -1.97385 GPRESSAVG: 3172200 38.5375 -19.0462 -5.81089 -20.6734 -43.0408 18.4418 -6.08513 17.2589 -0.41986 TIMING: 3172200 CPU: 10024.6, 0.00316614/step Wall: 10024.6, 0.00316614/step, 1.60752 hours remaining, 239.328125 MB of memory in use. ENERGY: 3172200 3932.6944 20499.6804 14370.3624 253.3403 -203384.2347 2649.4497 0.0000 0.0000 52258.5503 -109420.1571 300.3306 -161678.7075 -109064.7796 299.4926 191.0211 220.7716 759429.0312 -1.6396 -1.6410 LDB: ============= START OF LOAD BALANCING ============== 10037 LDB: ============== END OF LOAD BALANCING =============== 10037 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10037 LDB: ============= START OF LOAD BALANCING ============== 10037.3 LDB: Largest compute 7058 load 0.033939 is 17.3% of average load 0.195978 LDB: Average compute 0.004380 is 2.2% of average load 0.195978 LDB: TIME 10037.3 LOAD: AVG 0.195978 MAX 0.21548 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 10037.3 LOAD: AVG 0.195978 MAX 0.21548 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 10037.3 LOAD: AVG 0.195978 MAX 0.21548 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10037.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10037.3 PRESSURE: 3172400 81.918 -191.705 -175.137 -191.705 180.817 -184.102 -175.136 -184.101 373.06 GPRESSURE: 3172400 197.137 -182.674 -161.636 -197.676 162.028 -229.449 -104.241 -115.561 352.282 PRESSAVG: 3172400 -28.963 -96.1776 3.18919 -96.1776 12.5366 -19.1027 3.18928 -19.1027 6.59575 GPRESSAVG: 3172400 -27.6112 -96.1326 5.29703 -96.6835 12.0182 -18.2286 3.68332 -17.9288 5.56603 TIMING: 3172400 CPU: 10025.2, 0.0032293/step Wall: 10025.2, 0.00322931/step, 1.63941 hours remaining, 238.613281 MB of memory in use. ENERGY: 3172400 4042.7041 20535.3825 14392.9903 270.7920 -203269.1875 2585.0486 0.0000 0.0000 52126.6824 -109315.5876 299.5728 -161442.2699 -108959.1418 299.1252 211.9316 237.1490 759795.0182 -3.2769 -3.3423 PRESSURE: 3172600 -246.056 74.1121 -38.6729 74.1127 -201.777 -222.299 -38.6729 -222.299 -257.896 GPRESSURE: 3172600 -176.718 113.178 10.9406 79.8201 -197.213 -203.792 -56.4013 -268.777 -234.841 PRESSAVG: 3172600 -24.9216 -58.0411 4.29666 -58.0411 -13.2352 -36.768 4.29674 -36.7679 -17.0847 GPRESSAVG: 3172600 -25.3032 -57.4239 3.04603 -56.9328 -12.7961 -37.8066 4.93051 -36.8666 -17.2585 TIMING: 3172600 CPU: 10025.9, 0.00315989/step Wall: 10025.9, 0.00315989/step, 1.60399 hours remaining, 238.613281 MB of memory in use. ENERGY: 3172600 3988.2905 20518.7270 14457.2730 242.0344 -203239.9124 2457.2492 0.0000 0.0000 52118.2413 -109458.0970 299.5242 -161576.3384 -109096.6311 299.4442 -235.2430 -202.9238 762295.2779 -18.4138 -18.4526 PRESSURE: 3172800 -235.639 -38.4074 1.24726 -38.4073 -28.1926 60.1888 1.24755 60.1886 -441.153 GPRESSURE: 3172800 -253.122 11.7792 -66.4851 34.8034 14.206 31.8791 -70.3848 57.4285 -388.406 PRESSAVG: 3172800 -44.0774 -47.7234 51.0641 -47.7234 39.2987 -46.1571 51.0641 -46.1571 -7.14623 GPRESSAVG: 3172800 -44.5789 -50.2496 49.3845 -48.2773 39.5055 -45.6393 52.7395 -46.5173 -6.41641 TIMING: 3172800 CPU: 10026.5, 0.00315547/step Wall: 10026.5, 0.00315547/step, 1.60158 hours remaining, 238.613281 MB of memory in use. ENERGY: 3172800 4040.8841 20619.1723 14391.7211 246.6068 -203384.9436 2535.6160 0.0000 0.0000 51990.4633 -109560.4800 298.7899 -161550.9433 -109202.1356 299.2899 -234.9947 -209.1075 762726.3199 -3.9750 -3.8299 PRESSURE: 3173000 102.526 -2.38005 189.521 -2.37978 -169.345 131.829 189.521 131.828 405.719 GPRESSURE: 3173000 92.1198 68.5432 242.536 29.6389 -28.2919 91.789 161.422 0.501073 355.408 PRESSAVG: 3173000 -63.6183 17.5433 7.84461 17.5433 9.94369 -21.1587 7.84462 -21.1586 13.08 GPRESSAVG: 3173000 -62.5664 18.1312 8.1592 17.8396 10.2175 -21.7731 5.82708 -19.9923 11.9889 TIMING: 3173000 CPU: 10027.1, 0.00314281/step Wall: 10027.1, 0.00314281/step, 1.59498 hours remaining, 238.613281 MB of memory in use. ENERGY: 3173000 3982.9312 20467.1146 14468.2466 233.8299 -203855.3977 2873.5891 0.0000 0.0000 52122.0158 -109707.6705 299.5459 -161829.6864 -109347.0146 299.2782 112.9666 139.7453 759907.8401 -13.5315 -13.4533 PRESSURE: 3173200 -69.4702 1.81126 70.7706 1.8117 -222.082 -82.8733 70.7699 -82.8733 148.486 GPRESSURE: 3173200 -124.916 -28.6311 71.5097 105.483 -101.288 8.62491 -16.065 -31.1922 169.72 PRESSAVG: 3173200 -22.1002 15.025 -6.93945 15.025 -0.723521 -13.4796 -6.9394 -13.4795 9.14883 GPRESSAVG: 3173200 -22.1524 17.4614 -7.27174 15.7484 -0.872083 -13.4813 -6.41939 -15.0469 9.17467 TIMING: 3173200 CPU: 10027.8, 0.00315087/step Wall: 10027.8, 0.00315087/step, 1.59889 hours remaining, 238.613281 MB of memory in use. ENERGY: 3173200 4017.6059 20523.0352 14461.2468 239.4401 -203138.4103 2419.0141 0.0000 0.0000 51717.4695 -109760.5988 297.2210 -161478.0683 -109396.3696 298.5430 -47.6887 -18.8282 762304.9589 -4.5583 -4.6166 PRESSURE: 3173400 15.8977 54.0037 5.00519 54.0036 -103.485 -39.1904 5.00583 -39.1908 138.214 GPRESSURE: 3173400 42.0903 126.195 14.2409 -13.5426 16.1475 -110.974 -86.1144 162.833 64.0311 PRESSAVG: 3173400 -36.5916 -15.4775 22.4778 -15.4775 -2.24531 -14.5042 22.4779 -14.5042 8.37511 GPRESSAVG: 3173400 -37.1425 -15.2269 23.6859 -17.1805 -2.33169 -16.4676 22.0715 -12.8567 8.87951 TIMING: 3173400 CPU: 10028.4, 0.00313722/step Wall: 10028.4, 0.00313722/step, 1.59179 hours remaining, 238.613281 MB of memory in use. ENERGY: 3173400 3951.9708 20284.5706 14476.2528 250.8902 -203605.9630 2569.1680 0.0000 0.0000 52143.4019 -109929.7087 299.6688 -162073.1106 -109565.4984 298.7386 16.8753 40.7563 759641.0113 -10.1539 -10.1982 PRESSURE: 3173600 -2.66115 73.2453 -288.542 73.245 -355.169 -33.7299 -288.541 -33.7306 112.538 GPRESSURE: 3173600 58.1319 22.3579 -339.66 -11.2816 -314.358 -18.0346 -121.087 36.6288 79.4936 PRESSAVG: 3173600 13.9459 -18.3072 22.3551 -18.3072 -34.4189 -23.0736 22.3551 -23.0736 -3.67665 GPRESSAVG: 3173600 14.6855 -19.2675 21.0395 -17.8494 -35.3171 -21.0241 24.3572 -23.5095 -4.45707 TIMING: 3173600 CPU: 10029, 0.00312194/step Wall: 10029, 0.00312194/step, 1.58386 hours remaining, 238.613281 MB of memory in use. ENERGY: 3173600 3974.3551 20524.7622 14414.5322 243.1338 -203711.4136 2646.3778 0.0000 0.0000 51963.5571 -109944.6953 298.6353 -161908.2524 -109582.0809 298.3268 -81.7642 -58.9109 760795.2722 -8.0499 -8.3629 PRESSURE: 3173800 207.182 46.7654 87.5897 46.7648 49.8438 -12.1983 87.5905 -12.1973 66.573 GPRESSURE: 3173800 239.489 110.375 182.998 73.8158 57.3318 -25.013 -38.2841 3.77711 111.745 PRESSAVG: 3173800 51.4292 -33.8151 36.1766 -33.8151 0.0573953 -12.2224 36.1766 -12.2225 -7.87064 GPRESSAVG: 3173800 51.3251 -35.1821 38.2458 -31.5202 0.174811 -11.6866 33.8781 -10.8994 -7.78242 TIMING: 3173800 CPU: 10029.6, 0.00313584/step Wall: 10029.6, 0.00313584/step, 1.59074 hours remaining, 238.613281 MB of memory in use. ENERGY: 3173800 3968.9097 20539.4012 14424.2297 258.6809 -203871.2498 2786.3321 0.0000 0.0000 51988.8386 -109904.8575 298.7806 -161893.6961 -109540.0272 299.2234 107.8663 136.1886 759663.3966 14.5386 14.5725 PRESSURE: 3174000 18.5585 160.936 139.271 160.936 -130.424 178.662 139.27 178.662 -154.141 GPRESSURE: 3174000 -14.2443 99.9596 102.242 34.7244 -42.6268 148.326 34.7192 161.999 -112.185 PRESSAVG: 3174000 37.1751 -63.1931 -45.2482 -63.1931 -16.8676 -23.6516 -45.2482 -23.6518 14.0015 GPRESSAVG: 3174000 36.9045 -61.9866 -45.8046 -66.8435 -17.9407 -23.4339 -46.063 -25.3386 15.1975 TIMING: 3174000 CPU: 10030.3, 0.00314403/step Wall: 10030.3, 0.00314403/step, 1.59472 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3174000 3976.3842 20269.0910 14431.8609 229.7571 -203401.6658 2501.2841 0.0000 0.0000 52132.1783 -109861.1102 299.6043 -161993.2885 -109490.1487 298.9674 -88.6689 -56.3520 763990.7892 11.4363 11.3871 PRESSURE: 3174200 146.294 -65.8302 51.7553 -65.8304 343.532 13.4076 51.7553 13.4067 165.45 GPRESSURE: 3174200 154.44 -101.377 131.868 -27.544 359.689 -49.9306 -37.5233 11.724 201.996 PRESSAVG: 3174200 45.7237 -59.239 -37.2649 -59.239 -4.2596 11.3461 -37.2649 11.3462 -23.6752 GPRESSAVG: 3174200 45.6377 -60.3409 -37.8067 -57.6264 -2.81621 10.6088 -38.2707 11.3834 -24.39 TIMING: 3174200 CPU: 10030.9, 0.00313861/step Wall: 10030.9, 0.00313861/step, 1.5918 hours remaining, 238.613281 MB of memory in use. ENERGY: 3174200 3913.7770 20473.0963 14450.4516 262.0509 -203834.3049 2877.7447 0.0000 0.0000 51913.0074 -109944.1771 298.3448 -161857.1845 -109578.9569 298.4726 218.4251 238.7081 761888.6940 5.9296 6.1438 PRESSURE: 3174400 64.5437 -135.474 108.207 -135.473 304.513 -43.2392 108.207 -43.24 -275.934 GPRESSURE: 3174400 96.8685 -145.473 115.332 -39.1904 310.297 -29.7318 14.2522 -41.512 -229.958 PRESSAVG: 3174400 -44.214 14.7658 22.6364 14.7658 11.1994 15.8359 22.6363 15.8359 3.12171 GPRESSAVG: 3174400 -43.6874 15.9602 23.4797 12.1701 11.1196 15.0846 25.1975 16.0799 2.15893 TIMING: 3174400 CPU: 10031.5, 0.00315138/step Wall: 10031.5, 0.00315138/step, 1.5981 hours remaining, 238.613281 MB of memory in use. ENERGY: 3174400 3915.5509 20590.6175 14452.8723 247.4775 -203548.2226 2561.9042 0.0000 0.0000 51901.0131 -109878.7872 298.2758 -161779.8002 -109518.0189 298.4516 31.0411 59.0694 764017.5771 -9.9643 -10.1363 PRESSURE: 3174600 -248.475 -106.465 -131.875 -106.465 251.443 16.4432 -131.875 16.4433 170.949 GPRESSURE: 3174600 -166.842 -72.02 -115.081 2.74081 296.765 57.788 1.61443 -56.5237 132.604 PRESSAVG: 3174600 8.5042 -39.0569 12.0732 -39.0569 -0.0761501 25.2357 12.0731 25.2357 20.583 GPRESSAVG: 3174600 8.58191 -40.0909 12.9032 -35.467 -1.04111 26.0799 10.8764 24.8959 21.7044 TIMING: 3174600 CPU: 10032.2, 0.00314913/step Wall: 10032.2, 0.00314913/step, 1.59678 hours remaining, 238.613281 MB of memory in use. ENERGY: 3174600 3923.8452 20440.9704 14384.0286 246.8043 -204211.6237 3091.3375 0.0000 0.0000 52143.1564 -109981.4813 299.6674 -162124.6377 -109619.1032 298.6472 57.9723 87.5089 763284.3691 9.6704 9.7484 PRESSURE: 3174800 84.9422 187.783 -130.481 187.782 52.1039 -38.9798 -130.481 -38.9787 109.931 GPRESSURE: 3174800 17.8871 201.146 -212.186 228.995 225.577 -41.2539 -124.12 -99.7462 115.789 PRESSAVG: 3174800 -42.7676 23.4507 46.1104 23.4507 30.2004 46.8316 46.1104 46.8315 -3.05458 GPRESSAVG: 3174800 -42.8857 24.7535 45.0806 19.2719 31.2081 47.2103 46.3954 46.6806 -3.86307 TIMING: 3174800 CPU: 10032.8, 0.00315905/step Wall: 10032.8, 0.00315905/step, 1.60164 hours remaining, 238.613281 MB of memory in use. ENERGY: 3174800 3961.1587 20580.6266 14483.1115 246.0266 -204418.9374 3120.3620 0.0000 0.0000 52083.1546 -109944.4973 299.3226 -162027.6519 -109591.3319 298.7053 82.3258 119.7511 761061.7675 -5.2073 -5.1802 PRESSURE: 3175000 11.9056 -80.2428 -32.845 -80.2432 275.079 -42.2439 -32.8451 -42.245 174.132 GPRESSURE: 3175000 45.6957 -91.632 -93.9421 -33.8096 252.86 -133.889 -103.541 -55.8879 226.269 PRESSAVG: 3175000 30.7324 -2.24565 46.1486 -2.2456 -67.2427 31.1728 46.1486 31.1727 19.7571 GPRESSAVG: 3175000 31.7399 -3.69742 46.7168 -0.0302712 -67.9519 29.9284 45.1676 32.7354 19.4317 TIMING: 3175000 CPU: 10033.4, 0.00316719/step Wall: 10033.4, 0.00316719/step, 1.60559 hours remaining, 238.613281 MB of memory in use. ENERGY: 3175000 3980.7062 20455.5516 14377.1174 244.8774 -203720.4639 2868.9291 0.0000 0.0000 52093.3600 -109699.9222 299.3813 -161793.2822 -109337.7573 298.9031 153.7053 174.9419 761541.3720 -5.5844 -5.5934 PRESSURE: 3175200 88.696 89.3697 43.1362 89.3692 94.8801 24.7398 43.1368 24.7399 273.693 GPRESSURE: 3175200 249.777 139.143 68.486 109.265 74.3677 -5.93769 95.787 22.5644 198.466 PRESSAVG: 3175200 -19.3928 -38.1439 -34.2892 -38.1439 3.73609 -37.4423 -34.2892 -37.4423 -14.0349 GPRESSAVG: 3175200 -20.1362 -37.5741 -34.0987 -36.3547 2.36615 -37.5325 -32.6845 -36.9576 -12.0237 TIMING: 3175200 CPU: 10034.1, 0.00316307/step Wall: 10034.1, 0.00316307/step, 1.60332 hours remaining, 238.613281 MB of memory in use. ENERGY: 3175200 3977.1905 20364.4045 14423.8406 233.8019 -203968.7327 2884.5277 0.0000 0.0000 52030.7886 -110054.1790 299.0217 -162084.9676 -109693.0551 299.0850 152.4229 174.2035 761339.1463 -9.8972 -9.9312 PRESSURE: 3175400 -210.013 -33.2736 87.6259 -33.273 -262.576 23.069 87.6257 23.0691 -201.838 GPRESSURE: 3175400 -188.805 -24.2197 83.7174 5.41396 -209.9 46.7723 52.7121 -139.89 -197.745 PRESSAVG: 3175400 -28.141 -5.49824 5.50791 -5.49825 4.46149 -69.0792 5.50799 -69.0792 -8.64156 GPRESSAVG: 3175400 -27.8794 -6.62595 4.26532 -6.1289 6.39429 -67.9377 6.62007 -69.8084 -10.4537 TIMING: 3175400 CPU: 10034.7, 0.00315818/step Wall: 10034.7, 0.00315818/step, 1.60067 hours remaining, 238.613281 MB of memory in use. ENERGY: 3175400 3879.6273 20444.5123 14347.0770 250.0882 -203393.9506 2415.1339 0.0000 0.0000 52061.8480 -109995.6640 299.2002 -162057.5121 -109631.9650 298.5076 -224.8091 -198.8167 763131.0020 -10.7737 -10.6463 PRESSURE: 3175600 -114.606 3.66584 85.8448 3.6651 124.462 -47.415 85.8449 -47.4151 -268.317 GPRESSURE: 3175600 -109.289 72.3766 104.752 0.0179275 160.388 -62.9974 4.62185 -113.241 -221.299 PRESSAVG: 3175600 -30.2297 -0.706892 41.4752 -0.706938 45.8152 -0.269724 41.4752 -0.269712 -3.42462 GPRESSAVG: 3175600 -30.7779 0.122064 42.5284 -2.09431 45.4012 -1.4852 38.3043 -0.54537 -2.31067 TIMING: 3175600 CPU: 10035.3, 0.00315583/step Wall: 10035.3, 0.00315583/step, 1.5993 hours remaining, 238.613281 MB of memory in use. ENERGY: 3175600 3971.6481 20464.7995 14451.2685 247.3432 -203579.6790 2792.8650 0.0000 0.0000 51751.5322 -109900.2224 297.4168 -161651.7546 -109554.0210 298.2410 -86.1537 -56.7332 762522.1993 4.0536 4.1042 PRESSURE: 3175800 49.8332 -153.238 28.9292 -153.238 -78.4786 -2.54412 28.9289 -2.54422 -35.361 GPRESSURE: 3175800 33.8619 -198.516 17.5562 -191.248 -103.255 -1.23301 41.4751 21.0384 88.5084 PRESSAVG: 3175800 -21.9265 -32.2544 57.4014 -32.2544 31.9165 10.9911 57.4014 10.991 -16.6044 GPRESSAVG: 3175800 -23.5961 -32.3963 55.8719 -31.5704 33.1586 11.5801 59.948 10.9794 -16.1657 TIMING: 3175800 CPU: 10036, 0.00315523/step Wall: 10036, 0.00315523/step, 1.59882 hours remaining, 238.613281 MB of memory in use. ENERGY: 3175800 4048.4705 20318.4776 14352.9731 240.8062 -203671.7855 2633.0659 0.0000 0.0000 52099.2505 -109978.7418 299.4151 -162077.9923 -109614.6603 298.2439 -21.3354 6.3719 762373.5973 -2.2048 -2.2011 PRESSURE: 3176000 -233.541 -174.161 -15.3299 -174.16 -72.8907 -52.3161 -15.3294 -52.3165 89.3356 GPRESSURE: 3176000 -227.72 -94.655 -47.1861 -87.0055 50.0839 -13.1043 -74.0813 -135.235 50.1006 PRESSAVG: 3176000 -34.4424 27.6981 -3.7529 27.6981 18.8122 24.8698 -3.75287 24.8697 -0.75698 GPRESSAVG: 3176000 -33.2754 26.3573 -3.27829 29.0163 18.4187 23.3718 -3.37939 25.3913 -1.3404 TIMING: 3176000 CPU: 10036.6, 0.00315248/step Wall: 10036.6, 0.00315248/step, 1.59726 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3176000 3949.5830 20482.2090 14403.6128 235.7087 -203573.6823 2678.9389 0.0000 0.0000 51926.5538 -109897.0761 298.4226 -161823.6299 -109537.1231 298.5727 -72.3655 -42.5119 762089.3022 -5.4624 -5.3990 PRESSURE: 3176200 177.943 0.874135 -38.7723 0.874223 -69.1792 105.963 -38.7715 105.962 256.719 GPRESSURE: 3176200 224.103 92.3147 -29.6426 77.4339 -46.2814 150.394 15.6647 112.331 278.386 PRESSAVG: 3176200 -14.0311 7.61073 -9.02779 7.61074 -35.3086 4.38968 -9.02779 4.38965 -7.71487 GPRESSAVG: 3176200 -13.9801 7.81116 -9.27789 8.19945 -36.2239 6.46774 -9.78398 1.92037 -7.47609 TIMING: 3176200 CPU: 10037.2, 0.00315097/step Wall: 10037.2, 0.00315097/step, 1.59632 hours remaining, 238.613281 MB of memory in use. ENERGY: 3176200 3969.5646 20348.7594 14442.1428 262.5303 -203830.1245 2737.4079 0.0000 0.0000 52109.2226 -109960.4969 299.4724 -162069.7195 -109598.4493 298.0552 121.8273 152.0692 762302.8757 -19.0182 -19.2267 LDB: ============= START OF LOAD BALANCING ============== 10049.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10049.6 LDB: =============== DONE WITH MIGRATION ================ 10049.6 LDB: ============= START OF LOAD BALANCING ============== 10049.9 LDB: Largest compute 7058 load 0.033868 is 17.3% of average load 0.196105 LDB: Average compute 0.004381 is 2.2% of average load 0.196105 LDB: TIME 10049.9 LOAD: AVG 0.196105 MAX 0.215758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.457 MB LDB: TIME 10049.9 LOAD: AVG 0.196105 MAX 0.215758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.457 MB LDB: TIME 10049.9 LOAD: AVG 0.196105 MAX 0.215758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.457 MB LDB: ============== END OF LOAD BALANCING =============== 10049.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10049.9 PRESSURE: 3176400 -324.85 -364.001 100.048 -364 -217.981 76.6432 100.048 76.6433 114.21 GPRESSURE: 3176400 -302.675 -315.607 41.3728 -248.603 -165.756 74.5597 35.735 82.5626 142.322 PRESSAVG: 3176400 -39.7059 2.44094 -29.3927 2.4409 -13.2073 25.025 -29.3927 25.025 19.8601 GPRESSAVG: 3176400 -39.485 2.91207 -29.4942 1.88815 -13.3311 25.8751 -27.6417 26.3708 19.8687 TIMING: 3176400 CPU: 10037.9, 0.00323005/step Wall: 10037.9, 0.00323005/step, 1.6362 hours remaining, 239.125000 MB of memory in use. ENERGY: 3176400 3989.8193 20627.2248 14357.7030 221.7745 -203611.0399 2609.3715 0.0000 0.0000 51853.0574 -109952.0894 298.0002 -161805.1468 -109590.9132 298.5124 -142.8736 -108.7031 763728.2591 -11.0177 -10.9825 PRESSURE: 3176600 -59.7344 -52.7188 -161.013 -52.7187 -305.281 75.9595 -161.013 75.9603 5.1321 GPRESSURE: 3176600 -12.6094 -66.349 -89.6162 -74.6456 -286.792 51.8335 -95.5013 91.9327 5.57816 PRESSAVG: 3176600 10.3361 -10.1572 -1.14256 -10.1573 -74.9586 -15.2707 -1.1426 -15.2706 38.8587 GPRESSAVG: 3176600 9.82565 -10.1887 -0.435243 -9.73721 -74.8788 -16.0951 0.755055 -15.7841 38.6344 TIMING: 3176600 CPU: 10038.5, 0.00314252/step Wall: 10038.5, 0.00314252/step, 1.59168 hours remaining, 239.328125 MB of memory in use. ENERGY: 3176600 4011.7418 20427.2630 14439.6298 250.0448 -203365.5692 2266.5401 0.0000 0.0000 52168.0878 -109802.2619 299.8107 -161970.3497 -109440.8221 298.6322 -119.9610 -97.9412 761521.9647 -8.5879 -8.8063 PRESSURE: 3176800 -369.878 -269.808 58.9926 -269.808 50.9532 -164.85 58.9931 -164.851 155.282 GPRESSURE: 3176800 -220.353 -207.954 66.3646 -327.069 10.3494 -88.518 57.4252 -192.257 136.427 PRESSAVG: 3176800 8.66899 -26.3705 8.86175 -26.3704 44.5329 -54.8876 8.86178 -54.8877 4.37865 GPRESSAVG: 3176800 9.03404 -25.601 7.56545 -28.4714 44.1063 -54.6912 6.1905 -53.6824 4.77711 TIMING: 3176800 CPU: 10039.1, 0.00315173/step Wall: 10039.1, 0.00315173/step, 1.59618 hours remaining, 239.328125 MB of memory in use. ENERGY: 3176800 3939.7313 20638.2707 14417.4219 242.0229 -203339.9887 2557.6338 0.0000 0.0000 52072.1564 -109472.7517 299.2594 -161544.9081 -109108.5748 299.0301 -54.5477 -24.5257 762229.9146 19.1935 19.3058 PRESSURE: 3177000 -60.9401 -276.167 81.2777 -276.167 72.384 58.6004 81.2772 58.6 -149.74 GPRESSURE: 3177000 35.0794 -257.916 49.3528 -233.788 5.78077 52.9569 168.266 142.011 -95.3242 PRESSAVG: 3177000 -1.37691 -33.3056 10.4412 -33.3056 5.60236 33.8338 10.4412 33.8338 -1.1711 GPRESSAVG: 3177000 -1.02447 -34.9076 11.3451 -31.7408 5.31166 33.3408 10.499 32.8734 -1.28833 TIMING: 3177000 CPU: 10039.7, 0.0031529/step Wall: 10039.7, 0.0031529/step, 1.59659 hours remaining, 239.328125 MB of memory in use. ENERGY: 3177000 3947.9113 20619.1976 14346.7903 262.2311 -203569.1206 2512.5497 0.0000 0.0000 52266.5798 -109613.8609 300.3768 -161880.4407 -109244.9865 299.7792 -46.0985 -18.1547 760792.6864 1.0181 0.9996 PRESSURE: 3177200 -168.357 -320.069 -149.354 -320.07 75.0108 -14.8257 -149.354 -14.825 75.3957 GPRESSURE: 3177200 -226.813 -235.954 -228.035 -378.561 173.533 -68.1874 -78.3626 -109.074 120.078 PRESSAVG: 3177200 28.2458 -96.6125 41.1968 -96.6126 -4.57067 59.2562 41.1967 59.2563 24.0032 GPRESSAVG: 3177200 28.3262 -94.6787 40.4739 -95.9307 -3.18723 58.505 41.2779 60.2454 22.5458 TIMING: 3177200 CPU: 10040.4, 0.00313827/step Wall: 10040.4, 0.00313827/step, 1.58901 hours remaining, 239.328125 MB of memory in use. ENERGY: 3177200 3993.3357 20677.1511 14334.0337 257.8441 -203619.6193 2597.3099 0.0000 0.0000 52180.8974 -109579.0475 299.8843 -161759.9448 -109217.3357 299.2350 -5.9836 22.2659 761403.6119 15.8928 15.8949 PRESSURE: 3177400 155.672 37.5213 -208.986 37.5217 78.9312 -372.175 -208.985 -372.175 28.0837 GPRESSURE: 3177400 250.341 94.7522 -183.299 85.5228 16.1693 -340.012 -174.469 -309.361 75.2112 PRESSAVG: 3177400 -23.143 -50.8029 7.34715 -50.8029 1.93354 -45.2743 7.3471 -45.2743 -7.46615 GPRESSAVG: 3177400 -23.9806 -51.1192 6.77383 -51.6139 1.68516 -44.5709 7.32994 -43.4258 -6.58114 TIMING: 3177400 CPU: 10041, 0.00314003/step Wall: 10041, 0.00314003/step, 1.58973 hours remaining, 239.328125 MB of memory in use. ENERGY: 3177400 3998.7335 20531.5778 14506.1921 236.4450 -203663.6142 2816.2613 0.0000 0.0000 51971.8811 -109602.5234 298.6831 -161574.4045 -109241.8049 299.1388 87.5623 113.9072 761249.8241 -9.5585 -9.6255 PRESSURE: 3177600 216.341 -23.3543 -145.482 -23.3544 210.006 109.435 -145.482 109.435 139.569 GPRESSURE: 3177600 280.309 -10.1999 -82.8127 -89.025 197.509 70.3814 -116.226 130.16 163.389 PRESSAVG: 3177600 -3.40791 10.8735 -0.847724 10.8734 -23.3279 -29.3464 -0.847774 -29.3463 -12.2889 GPRESSAVG: 3177600 -3.1224 11.321 2.08558 10.219 -23.6216 -29.6626 -1.30062 -31.0981 -13.1098 TIMING: 3177600 CPU: 10041.6, 0.00315016/step Wall: 10041.6, 0.00315016/step, 1.59468 hours remaining, 239.328125 MB of memory in use. ENERGY: 3177600 3914.7975 20575.4928 14457.3757 238.7954 -203156.8614 2487.0236 0.0000 0.0000 52129.4493 -109353.9273 299.5887 -161483.3765 -108993.5740 299.0138 188.6387 213.7354 761704.1708 -13.0082 -13.2846 PRESSURE: 3177800 -427.241 77.8686 -205.904 77.8694 159.981 128.94 -205.903 128.94 -339.465 GPRESSURE: 3177800 -412.706 -11.0724 -141.513 232.38 201.641 150.04 -166.472 177.705 -305.372 PRESSAVG: 3177800 -68.6323 -50.6642 35.5029 -50.6642 18.1671 -17.6897 35.5031 -17.6897 -1.40026 GPRESSAVG: 3177800 -69.7898 -50.9097 34.7856 -49.4792 17.599 -17.6641 36.6742 -16.3254 0.34882 TIMING: 3177800 CPU: 10042.3, 0.00315621/step Wall: 10042.3, 0.00315621/step, 1.59757 hours remaining, 239.328125 MB of memory in use. ENERGY: 3177800 4000.7115 20454.0587 14322.8343 238.4375 -202678.7563 2209.5907 0.0000 0.0000 52155.7880 -109297.3356 299.7400 -161453.1236 -108928.2151 299.3365 -202.2417 -172.1455 762825.5585 -17.2885 -17.2807 PRESSURE: 3178000 -180.31 -49.5378 183.379 -49.5367 -236.919 30.3062 183.379 30.3068 285.51 GPRESSURE: 3178000 -205.439 33.971 111.509 33.0822 -81.7828 -34.5918 233.118 -86.1708 261.143 PRESSAVG: 3178000 -53.31 -28.8051 -20.3482 -28.8052 62.8866 3.36432 -20.3482 3.36438 9.17327 GPRESSAVG: 3178000 -51.9894 -28.9175 -21.1355 -29.8539 63.8822 3.78612 -20.5399 2.14871 7.04762 TIMING: 3178000 CPU: 10042.9, 0.00315691/step Wall: 10042.9, 0.00315691/step, 1.59775 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3178000 4003.9285 20698.4204 14368.1975 248.2218 -202988.0447 2535.6858 0.0000 0.0000 51875.7459 -109257.8449 298.1306 -161133.5907 -108906.2472 299.2658 -43.9062 -8.6928 760572.7149 6.2500 6.3135 PRESSURE: 3178200 -3.99866 -40.8916 -249.06 -40.8915 90.9691 -43.3661 -249.061 -43.3671 -20.7625 GPRESSURE: 3178200 11.9759 -131.758 -126.4 8.26844 119.685 1.51559 -154.166 -99.4342 11.4967 PRESSAVG: 3178200 -28.4263 -21.3294 25.7494 -21.3295 38.7487 11.3908 25.7494 11.3908 11.5536 GPRESSAVG: 3178200 -29.0274 -21.7953 27.2842 -21.5684 37.6345 11.5504 24.8081 11.753 13.0826 TIMING: 3178200 CPU: 10043.5, 0.00313523/step Wall: 10043.5, 0.00313523/step, 1.5866 hours remaining, 239.328125 MB of memory in use. ENERGY: 3178200 4007.9196 20572.1653 14385.8377 262.7661 -203088.3476 2402.1761 0.0000 0.0000 52084.1110 -109373.3719 299.3281 -161457.4828 -109015.1098 298.9822 22.0693 47.7191 760717.1241 7.2920 7.2299 PRESSURE: 3178400 -322.195 200.949 26.38 200.949 -145.097 30.4648 26.3798 30.4647 -62.1692 GPRESSURE: 3178400 -229.792 101.273 23.4273 130.116 -96.2631 57.2568 22.6549 150.445 -140.671 PRESSAVG: 3178400 1.46067 -29.5923 -17.6539 -29.5923 -21.8887 -2.30571 -17.6539 -2.30573 -6.54748 GPRESSAVG: 3178400 2.12755 -28.597 -18.3743 -29.8874 -21.0262 -2.41243 -19.4893 -2.07154 -8.1745 TIMING: 3178400 CPU: 10044.2, 0.00317081/step Wall: 10044.2, 0.00317081/step, 1.60443 hours remaining, 239.328125 MB of memory in use. ENERGY: 3178400 4009.8044 20570.5635 14366.2635 256.5872 -203454.1439 2525.7979 0.0000 0.0000 52074.4744 -109650.6531 299.2727 -161725.1274 -109284.0368 299.4427 -176.4870 -155.5753 762058.9445 -8.9918 -9.0244 PRESSURE: 3178600 -71.8967 199.024 -60.1567 199.025 -31.0455 -30.3556 -60.1574 -30.3553 -345.976 GPRESSURE: 3178600 -153.621 249.582 -26.7316 154.149 40.0205 27.6498 -70.935 -174.423 -265.003 PRESSAVG: 3178600 6.3579 -8.16535 -25.0288 -8.16536 -26.3335 35.1239 -25.0288 35.124 2.205 GPRESSAVG: 3178600 5.82635 -7.11956 -24.9808 -8.26574 -26.3388 36.2852 -24.5123 33.6322 2.26796 TIMING: 3178600 CPU: 10044.8, 0.00315613/step Wall: 10044.8, 0.00315613/step, 1.59682 hours remaining, 239.328125 MB of memory in use. ENERGY: 3178600 3971.1752 20726.5672 14339.5921 255.7454 -203395.5008 2390.7401 0.0000 0.0000 52016.4465 -109695.2344 298.9392 -161711.6809 -109342.5365 299.0330 -149.6393 -126.2009 760770.6658 -5.9235 -6.0815 PRESSURE: 3178800 17.7261 -38.874 -165.226 -38.8734 197.732 -27.7393 -165.226 -27.7408 11.5079 GPRESSURE: 3178800 106.691 -40.9439 -170.276 -107.557 157.391 -19.3688 -91.8604 44.3246 39.147 PRESSAVG: 3178800 6.95642 -29.1978 56.4436 -29.1978 -2.25344 -22.1502 56.4436 -22.1502 -11.6904 GPRESSAVG: 3178800 6.54134 -33.036 56.0289 -26.5897 -3.55193 -23.6845 58.6823 -20.8792 -9.83907 TIMING: 3178800 CPU: 10045.4, 0.00316551/step Wall: 10045.4, 0.00316551/step, 1.6014 hours remaining, 239.328125 MB of memory in use. ENERGY: 3178800 3997.9904 20452.5235 14402.5847 254.8097 -203560.0338 2658.1127 0.0000 0.0000 52184.0696 -109609.9432 299.9026 -161794.0128 -109240.3104 299.0833 75.6555 101.0763 761980.3563 -2.3291 -2.2832 PRESSURE: 3179000 265.568 -103.912 60.2767 -103.912 -263.669 -185.415 60.2765 -185.417 -454.795 GPRESSURE: 3179000 348.907 -63.9794 25.8347 -135.373 -198.292 -137.297 -40.7567 -265.731 -515.543 PRESSAVG: 3179000 -52.156 -27.5282 -30.9747 -27.5282 2.65741 -44.7826 -30.9747 -44.7825 -3.66978 GPRESSAVG: 3179000 -52.3947 -24.5946 -31.0027 -29.6842 3.68775 -44.5803 -31.7433 -45.143 -4.74217 TIMING: 3179000 CPU: 10046.1, 0.00315309/step Wall: 10046.1, 0.00315309/step, 1.59494 hours remaining, 239.328125 MB of memory in use. ENERGY: 3179000 4006.8016 20493.6088 14377.3543 229.8337 -203360.4496 2490.4588 0.0000 0.0000 52319.1852 -109443.2073 300.6791 -161762.3925 -109080.6045 298.9681 -150.9654 -121.6429 761769.6860 -17.7228 -17.8164 PRESSURE: 3179200 -63.8438 -132.148 -122.973 -132.147 -100.884 71.455 -122.974 71.4551 -152.139 GPRESSURE: 3179200 3.53653 -73.001 -161.738 -182.542 -110.642 82.2941 9.63352 105.681 -118.434 PRESSAVG: 3179200 127.966 9.17832 -55.1113 9.17834 -90.2202 20.8292 -55.1113 20.8292 -12.9637 GPRESSAVG: 3179200 129.197 8.70795 -55.1289 9.45473 -91.0046 22.9845 -53.1535 21.956 -13.4306 TIMING: 3179200 CPU: 10046.7, 0.0031378/step Wall: 10046.7, 0.0031378/step, 1.58703 hours remaining, 239.328125 MB of memory in use. ENERGY: 3179200 3987.9479 20614.5336 14394.4223 227.4132 -203006.2122 2524.0484 0.0000 0.0000 51697.3680 -109560.4788 297.1055 -161257.8468 -109197.9627 299.2566 -105.6225 -75.1797 761206.8530 8.2609 8.2541 PRESSURE: 3179400 309.521 196.247 -20.8399 196.247 348.831 -84.5633 -20.8399 -84.562 317.786 GPRESSURE: 3179400 347.631 243.458 3.27634 156.148 338.685 -73.0833 -145.803 -43.2648 371.768 PRESSAVG: 3179400 22.2437 -30.7728 -43.4806 -30.7728 -6.22333 55.1687 -43.4806 55.1687 34.3927 GPRESSAVG: 3179400 21.7087 -29.7796 -44.8446 -30.7021 -6.47198 52.7251 -45.9456 54.8088 34.7443 TIMING: 3179400 CPU: 10047.3, 0.00317378/step Wall: 10047.3, 0.00317378/step, 1.60505 hours remaining, 239.328125 MB of memory in use. ENERGY: 3179400 3933.5911 20468.1019 14383.4491 234.4019 -203175.5042 2532.1490 0.0000 0.0000 52030.3240 -109593.4872 299.0190 -161623.8112 -109235.2165 299.0079 325.3794 352.6948 760676.4009 16.8044 16.6603 PRESSURE: 3179600 169.139 43.1089 34.1934 43.108 -55.7859 -95.912 34.1933 -95.9107 -55.4916 GPRESSURE: 3179600 152.196 123.849 67.595 151.404 -50.4196 -82.6928 -55.5109 -88.0778 16.1494 PRESSAVG: 3179600 67.151 -27.3874 34.6361 -27.3873 -45.5652 -5.94556 34.6362 -5.94566 -4.41229 GPRESSAVG: 3179600 66.9791 -27.6173 36.6295 -26.3869 -46.136 -5.17739 34.3555 -7.68933 -4.33878 TIMING: 3179600 CPU: 10047.9, 0.00315226/step Wall: 10047.9, 0.00315226/step, 1.59399 hours remaining, 239.328125 MB of memory in use. ENERGY: 3179600 3843.7487 20540.9246 14410.5018 243.0078 -203610.5738 2643.6482 0.0000 0.0000 52209.3468 -109719.3959 300.0478 -161928.7427 -109357.0846 298.9909 19.2870 39.3085 760030.5781 5.7245 5.5015 PRESSURE: 3179800 91.4028 -67.0869 195.889 -67.0862 109.438 -90.2319 195.889 -90.2331 -47.0614 GPRESSURE: 3179800 90.974 20.062 164.378 -101.175 122.999 -55.0973 32.0823 -62.0122 29.304 PRESSAVG: 3179800 52.4035 -11.3005 -30.8675 -11.3004 -48.2661 -15.358 -30.8676 -15.3579 36.0687 GPRESSAVG: 3179800 52.4108 -9.58504 -30.8298 -13.0088 -48.5151 -15.7745 -30.6388 -13.3541 35.832 TIMING: 3179800 CPU: 10048.6, 0.00315211/step Wall: 10048.6, 0.00315211/step, 1.59374 hours remaining, 239.328125 MB of memory in use. ENERGY: 3179800 3936.1208 20597.0530 14435.8984 225.7782 -203545.3326 2681.6581 0.0000 0.0000 51955.2710 -109713.5531 298.5877 -161668.8241 -109351.3841 298.6053 51.2599 81.0923 762286.7864 13.4021 13.2426 PRESSURE: 3180000 35.5225 197.119 39.1624 197.119 58.4033 167.647 39.1626 167.647 -298.748 GPRESSURE: 3180000 29.2096 287.195 -54.6319 122.433 172.193 294.788 124.131 130.573 -306.856 PRESSAVG: 3180000 54.867 -1.57128 8.3911 -1.57131 -41.0215 33.3631 8.39111 33.363 9.46185 GPRESSAVG: 3180000 54.5417 -3.03865 8.33774 -1.63168 -39.5897 32.4022 9.49634 33.8514 8.08132 TIMING: 3180000 CPU: 10049.2, 0.00314668/step Wall: 10049.2, 0.00314668/step, 1.59082 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3180000 4010.4198 20425.4871 14435.4457 233.1331 -203524.9317 2733.6852 0.0000 0.0000 51689.4258 -109997.3350 297.0598 -161686.7609 -109634.2989 298.2788 -68.2741 -35.1511 761359.2332 7.7691 7.6778 PRESSURE: 3180200 209.935 -30.8622 -168.042 -30.8639 283.055 38.111 -168.042 38.1123 -17.6571 GPRESSURE: 3180200 355.376 27.9728 -145.881 51.2235 223.667 106.624 -128.748 -109.367 2.06933 PRESSAVG: 3180200 -10.0191 -30.8666 -33.7934 -30.8667 6.53193 23.0826 -33.7934 23.0826 11.0216 GPRESSAVG: 3180200 -9.17623 -30.9056 -35.3967 -31.9721 5.03401 23.4661 -32.1919 23.5543 12.0228 TIMING: 3180200 CPU: 10049.8, 0.00313755/step Wall: 10049.8, 0.00313755/step, 1.58603 hours remaining, 239.328125 MB of memory in use. ENERGY: 3180200 3967.0882 20342.9901 14276.7408 242.0388 -203636.2698 2834.7761 0.0000 0.0000 52024.1992 -109948.4366 298.9838 -161972.6358 -109580.0269 298.8425 158.4444 193.7040 761723.2217 2.5115 2.6268 LDB: ============= START OF LOAD BALANCING ============== 10062.2 LDB: ============== END OF LOAD BALANCING =============== 10062.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10062.2 LDB: ============= START OF LOAD BALANCING ============== 10062.5 LDB: Largest compute 7058 load 0.031555 is 16.1% of average load 0.196176 LDB: Average compute 0.004384 is 2.2% of average load 0.196176 LDB: TIME 10062.5 LOAD: AVG 0.196176 MAX 0.214968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 10062.6 LOAD: AVG 0.196176 MAX 0.214968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 10062.6 LOAD: AVG 0.196176 MAX 0.214968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: ============== END OF LOAD BALANCING =============== 10062.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10062.6 PRESSURE: 3180400 163.452 -102.485 -92.1933 -102.485 -281.767 -1.04364 -92.1934 -1.04326 -78.0991 GPRESSURE: 3180400 249.414 -42.2905 -73.9444 24.2754 -233.281 54.0604 -7.19823 49.8522 -129.713 PRESSAVG: 3180400 38.7751 -24.8935 -22.3234 -24.8934 -55.3419 7.82072 -22.3233 7.82069 -11.9633 GPRESSAVG: 3180400 39.3717 -26.7812 -20.972 -23.0202 -54.8781 9.12364 -22.7155 6.0255 -12.6665 TIMING: 3180400 CPU: 10050.5, 0.00320211/step Wall: 10050.5, 0.00320211/step, 1.61849 hours remaining, 237.843750 MB of memory in use. ENERGY: 3180400 3952.8120 20476.3181 14323.9888 258.2445 -203779.6464 2655.3155 0.0000 0.0000 51901.4329 -110211.5346 298.2782 -162112.9675 -109853.2483 298.1340 -65.4714 -37.8600 759919.1175 -9.5100 -9.3910 PRESSURE: 3180600 152.333 -194.635 292.237 -194.635 159.261 211.083 292.238 211.082 -298.644 GPRESSURE: 3180600 264.921 -99.2204 211.443 -222.975 158.47 205.361 247.168 216.595 -327.221 PRESSAVG: 3180600 3.40372 -31.4356 -26.4183 -31.4356 22.1764 5.08894 -26.4182 5.08904 -24.2847 GPRESSAVG: 3180600 2.10987 -32.6316 -27.5204 -31.0806 22.1948 5.19848 -25.9727 4.08976 -23.5016 TIMING: 3180600 CPU: 10051.1, 0.0031415/step Wall: 10051.1, 0.0031415/step, 1.58768 hours remaining, 238.046875 MB of memory in use. ENERGY: 3180600 3931.3725 20459.4894 14405.8795 244.9939 -203380.6320 2519.1183 0.0000 0.0000 51709.7262 -110110.0521 297.1765 -161819.7784 -109747.5424 298.1504 4.3168 32.0565 760387.1406 0.4318 0.2677 PRESSURE: 3180800 -452.181 -89.306 213.218 -89.3061 -181.431 83.4695 213.217 83.47 -225.725 GPRESSURE: 3180800 -473.413 -125.572 216.324 -109.402 -111.848 38.5438 184.827 150.094 -203.2 PRESSAVG: 3180800 4.01461 -48.1999 31.9986 -48.2 -3.56904 -9.19577 31.9986 -9.19571 6.71022 GPRESSAVG: 3180800 4.07679 -45.4281 32.2833 -50.0785 -3.07519 -9.34666 28.9764 -9.3756 6.37191 TIMING: 3180800 CPU: 10051.7, 0.00314083/step Wall: 10051.7, 0.00314083/step, 1.58717 hours remaining, 238.046875 MB of memory in use. ENERGY: 3180800 3938.4430 20580.6941 14336.8427 250.2591 -203545.2481 2525.9181 0.0000 0.0000 51880.5264 -110032.5648 298.1581 -161913.0912 -109671.0411 298.3125 -286.4455 -262.8203 760939.4295 2.3853 2.4578 PRESSURE: 3181000 275.066 132.604 68.0265 132.605 107.674 172.869 68.0261 172.868 -162.35 GPRESSURE: 3181000 251.048 64.5621 103.676 103.291 216.873 214.028 -88.8991 -18.4547 -157.881 PRESSAVG: 3181000 13.199 7.84534 6.07806 7.84529 -3.27775 84.2149 6.07808 84.215 34.7937 GPRESSAVG: 3181000 11.9207 5.59667 6.67519 9.5478 -2.36069 83.9387 5.6153 83.4949 35.4743 TIMING: 3181000 CPU: 10052.4, 0.00316366/step Wall: 10052.4, 0.00316366/step, 1.59853 hours remaining, 238.046875 MB of memory in use. ENERGY: 3181000 4002.5851 20497.6915 14364.3842 242.0066 -203823.2310 2854.1514 0.0000 0.0000 52019.9971 -109842.4150 298.9596 -161862.4121 -109479.7507 298.7190 73.4631 103.3466 758909.2319 14.9050 15.0114 PRESSURE: 3181200 40.3731 -43.2864 -225.195 -43.2868 219.882 -87.0316 -225.195 -87.0323 -221.689 GPRESSURE: 3181200 148.865 31.0353 -119.437 -43.8695 167.272 -152.034 -205.962 -82.8605 -187.823 PRESSAVG: 3181200 25.2383 -23.704 1.78141 -23.7039 -5.61734 -28.3952 1.78141 -28.3953 -5.4529 GPRESSAVG: 3181200 26.7347 -23.0046 2.70019 -23.1567 -7.50164 -28.3977 3.16489 -28.5425 -5.17828 TIMING: 3181200 CPU: 10053, 0.00312366/step Wall: 10053, 0.00312366/step, 1.57814 hours remaining, 238.046875 MB of memory in use. ENERGY: 3181200 3975.7120 20503.8348 14393.9885 235.5783 -203695.4452 2568.1996 0.0000 0.0000 52006.3900 -110011.7421 298.8814 -162018.1320 -109645.1816 299.0883 12.8555 42.7714 759894.5561 4.7227 4.6849 PRESSURE: 3181400 176.379 -178.317 -149.707 -178.317 93.9471 -265.716 -149.708 -265.716 194.362 GPRESSURE: 3181400 229.193 -70.9664 -92.1677 -165.591 177.054 -243.979 -323.124 -150.256 139.97 PRESSAVG: 3181400 -74.5494 -13.4572 -74.5453 -13.4571 34.1815 0.128728 -74.5453 0.128666 -19.784 GPRESSAVG: 3181400 -76.3343 -13.2679 -75.5629 -13.0429 35.8667 0.0208345 -72.825 1.56625 -20.0086 TIMING: 3181400 CPU: 10053.6, 0.00313673/step Wall: 10053.6, 0.00313673/step, 1.58457 hours remaining, 238.046875 MB of memory in use. ENERGY: 3181400 3904.3966 20475.1234 14373.5649 217.2305 -203877.7783 2914.0593 0.0000 0.0000 51979.3668 -110014.0368 298.7261 -161993.4036 -109651.2828 298.5317 154.8960 182.0725 759884.2461 -20.0506 -20.1588 PRESSURE: 3181600 19.4017 -51.7049 -0.342832 -51.7049 -67.531 -52.551 -0.342529 -52.5521 -98.475 GPRESSURE: 3181600 -2.05099 -104.051 45.8249 10.6283 -65.3213 -106.428 10.9025 27.9057 6.53514 PRESSAVG: 3181600 -8.75218 -42.1894 -38.0635 -42.1894 -15.6369 34.3495 -38.0634 34.3494 11.7826 GPRESSAVG: 3181600 -7.70843 -42.3734 -37.9843 -42.9928 -16.6058 34.4044 -39.7196 34.3718 11.8197 TIMING: 3181600 CPU: 10054.2, 0.00315362/step Wall: 10054.2, 0.00315362/step, 1.59293 hours remaining, 238.046875 MB of memory in use. ENERGY: 3181600 3957.4601 20587.4046 14336.4029 237.5674 -203389.7006 2280.5802 0.0000 0.0000 52037.7133 -109952.5722 299.0615 -161990.2854 -109592.0276 298.4069 -48.8681 -20.2790 760433.1593 -4.2022 -4.1649 PRESSURE: 3181800 318.7 -81.6358 121.459 -81.6359 -31.3469 -158.723 121.458 -158.722 -23.7505 GPRESSURE: 3181800 346.748 -17.6644 235.907 -99.0258 100.117 -34.9861 93.3873 -204.895 -95.0387 PRESSAVG: 3181800 -42.6591 -28.1461 42.1605 -28.146 23.5808 35.2337 42.1604 35.2337 4.79688 GPRESSAVG: 3181800 -43.8565 -25.527 41.9747 -28.9653 24.6165 34.1667 42.6714 34.5241 5.67814 TIMING: 3181800 CPU: 10054.9, 0.00314213/step Wall: 10054.9, 0.00314213/step, 1.58695 hours remaining, 238.046875 MB of memory in use. ENERGY: 3181800 3992.0019 20532.7605 14375.6038 265.2600 -203850.5138 2783.4568 0.0000 0.0000 52024.0106 -109877.4202 298.9827 -161901.4308 -109516.4847 298.7235 87.8674 117.2755 760936.9840 -4.7605 -4.5206 PRESSURE: 3182000 -419.852 94.782 72.7441 94.7818 368.779 -233.405 72.744 -233.404 84.5167 GPRESSURE: 3182000 -294.845 -11.1637 9.9331 2.88736 335.664 -244.003 125.081 -73.5377 69.5993 PRESSAVG: 3182000 4.9297 -38.0352 11.0529 -38.0352 -24.4641 0.232246 11.053 0.232216 6.16975 GPRESSAVG: 3182000 4.77548 -41.4676 11.1643 -37.5395 -23.7824 0.445092 11.2651 1.83616 5.44777 TIMING: 3182000 CPU: 10055.5, 0.00315505/step Wall: 10055.5, 0.00315505/step, 1.5933 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3182000 4009.9061 20549.3920 14312.3724 240.2969 -203177.8459 2346.1108 0.0000 0.0000 51844.6920 -109875.0758 297.9522 -161719.7677 -109505.4858 298.9513 11.1477 36.8061 759987.8336 -4.4549 -4.5197 PRESSURE: 3182200 -80.0088 -110.718 90.3512 -110.718 26.0994 263.565 90.3508 263.567 184.206 GPRESSURE: 3182200 -31.5174 -151.683 82.9482 -129.845 85.1939 231.369 203.664 105.112 146.016 PRESSAVG: 3182200 3.0476 4.73761 -0.540268 4.73758 -33.3987 -32.6504 -0.54031 -32.6503 11.8063 GPRESSAVG: 3182200 3.72532 5.44318 -0.581736 6.03493 -33.792 -32.6227 0.0757192 -33.916 11.5284 TIMING: 3182200 CPU: 10056.1, 0.00312765/step Wall: 10056.1, 0.00312765/step, 1.57929 hours remaining, 238.046875 MB of memory in use. ENERGY: 3182200 3960.2465 20639.9228 14409.6393 250.1136 -203939.5120 2751.1163 0.0000 0.0000 51939.6028 -109988.8708 298.4976 -161928.4736 -109625.1813 298.4194 43.4323 66.5642 761315.4818 -6.1816 -6.1794 PRESSURE: 3182400 -54.011 -67.5663 135.873 -67.5671 -28.4126 272.199 135.873 272.199 -301.501 GPRESSURE: 3182400 29.5618 -134.952 121.853 -123.517 -83.4358 304.668 -7.54872 24.4009 -250.435 PRESSAVG: 3182400 33.3657 -44.7385 47.163 -44.7384 -11.7939 69.5261 47.163 69.526 1.47378 GPRESSAVG: 3182400 33.4761 -43.5977 47.0413 -45.4409 -13.0713 70.836 45.8908 69.3255 2.28608 TIMING: 3182400 CPU: 10056.8, 0.00312365/step Wall: 10056.8, 0.00312366/step, 1.5771 hours remaining, 238.046875 MB of memory in use. ENERGY: 3182400 3947.7074 20582.9749 14460.9628 241.2981 -203732.6289 2587.2852 0.0000 0.0000 52040.0533 -109872.3471 299.0749 -161912.4004 -109512.3350 298.8221 -127.9749 -101.4364 761429.5701 7.6819 7.5636 PRESSURE: 3182600 223.417 -171.47 84.3457 -171.469 -5.95266 390.867 84.3458 390.867 372.27 GPRESSURE: 3182600 241.809 -27.3505 0.304174 -167.484 8.09131 317.291 33.7531 306.902 425.881 PRESSAVG: 3182600 24.8243 -46.4525 35.5219 -46.4524 9.3938 24.7466 35.5219 24.7466 13.9179 GPRESSAVG: 3182600 24.7788 -45.4342 35.3095 -46.743 10.516 23.2577 33.7237 23.0642 13.5388 TIMING: 3182600 CPU: 10057.4, 0.00312902/step Wall: 10057.4, 0.00312902/step, 1.57964 hours remaining, 238.046875 MB of memory in use. ENERGY: 3182600 3908.2249 20527.1166 14349.6357 222.5915 -203764.2686 2862.9986 0.0000 0.0000 51821.3650 -110072.3364 297.8181 -161893.7014 -109719.6210 298.7482 196.5783 225.2604 759053.1549 16.0453 16.2779 PRESSURE: 3182800 47.2125 69.9121 56.1928 69.9126 28.9378 -56.9982 56.1933 -56.9974 -151.262 GPRESSURE: 3182800 120.97 63.755 240.815 16.7775 88.7216 -21.7113 16.6705 -65.1779 -191.614 PRESSAVG: 3182800 1.69189 5.56289 21.2268 5.56291 -9.28499 16.184 21.2267 16.1841 -17.5846 GPRESSAVG: 3182800 1.16346 3.31852 21.6051 4.49192 -9.8605 18.9792 23.654 17.0057 -16.9222 TIMING: 3182800 CPU: 10058, 0.00314019/step Wall: 10058, 0.00314019/step, 1.5851 hours remaining, 238.046875 MB of memory in use. ENERGY: 3182800 3951.7172 20439.2392 14362.0239 247.9502 -203297.9791 2365.1869 0.0000 0.0000 52012.3002 -109919.5613 298.9154 -161931.8615 -109544.5963 298.6130 -25.0374 6.0259 762042.5586 -8.3926 -8.5398 PRESSURE: 3183000 119.841 20.7698 -200.434 20.7698 56.9348 119.868 -200.434 119.868 154.249 GPRESSURE: 3183000 152.365 -18.3461 -66.8606 -129.755 156.931 138.074 -177.696 65.2711 101.943 PRESSAVG: 3183000 12.6455 3.07663 47.7833 3.07665 -13.6997 -7.78425 47.7833 -7.7842 -17.2671 GPRESSAVG: 3183000 12.9221 3.57478 46.7713 3.48398 -12.99 -10.3208 47.8724 -8.25159 -17.8727 TIMING: 3183000 CPU: 10058.6, 0.00311807/step Wall: 10058.6, 0.00311807/step, 1.57376 hours remaining, 238.046875 MB of memory in use. ENERGY: 3183000 3998.9987 20385.3629 14417.8254 251.9560 -203649.5190 2603.1918 0.0000 0.0000 51974.9048 -110017.2794 298.7005 -161992.1842 -109646.6088 298.2236 110.3417 137.0797 759356.2008 -6.1071 -5.9802 PRESSURE: 3183200 275.62 -13.5254 -83.6585 -13.5245 38.2788 88.7239 -83.6579 88.7238 -205.835 GPRESSURE: 3183200 203.398 18.8454 -79.1223 59.1946 152.136 179.405 16.7016 -24.1723 -183.83 PRESSAVG: 3183200 46.3015 2.02518 19.3425 2.02516 -61.0201 -13.1788 19.3425 -13.1787 21.7666 GPRESSAVG: 3183200 45.3536 2.95091 18.3131 0.473082 -61.3199 -12.0934 19.2616 -11.0777 23.0878 TIMING: 3183200 CPU: 10059.3, 0.00313483/step Wall: 10059.3, 0.00313483/step, 1.58204 hours remaining, 238.046875 MB of memory in use. ENERGY: 3183200 4014.3177 20420.8534 14368.4746 226.0791 -203831.7084 2756.2762 0.0000 0.0000 51898.1449 -110147.5625 298.2594 -162045.7074 -109792.6246 297.9761 36.0213 57.2348 760629.4402 2.3493 2.3739 PRESSURE: 3183400 384.144 -164.229 64.0172 -164.23 182.916 -155.433 64.0179 -155.433 -241.087 GPRESSURE: 3183400 383.051 1.0042 -16.5287 -239.347 164.77 -268.346 94.0335 -140.718 -155.911 PRESSAVG: 3183400 34.9953 -17.0538 9.19916 -17.0539 -8.71971 3.47889 9.1991 3.47889 25.865 GPRESSAVG: 3183400 33.568 -18.067 9.80207 -15.1132 -7.98571 3.2232 7.66195 3.32676 26.1403 TIMING: 3183400 CPU: 10059.9, 0.00313576/step Wall: 10059.9, 0.00313576/step, 1.58234 hours remaining, 238.046875 MB of memory in use. ENERGY: 3183400 3926.9838 20490.1724 14386.5681 263.7363 -203635.2732 2769.3531 0.0000 0.0000 51784.4775 -110013.9822 297.6061 -161798.4596 -109661.4651 297.8579 108.6576 130.6365 761002.0221 17.3802 17.2409 PRESSURE: 3183600 -5.81376 77.8109 56.8386 77.8115 288.089 99.3817 56.8375 99.3823 -8.31361 GPRESSURE: 3183600 33.372 -67.5724 67.0726 -118.131 370.353 146.565 46.8221 130.476 -36.9021 PRESSAVG: 3183600 17.7865 -33.8326 -12.794 -33.8326 -23.7967 6.17889 -12.7939 6.17897 2.54382 GPRESSAVG: 3183600 20.0935 -33.3782 -12.3809 -33.9227 -24.86 6.69828 -11.4499 5.90825 1.34185 TIMING: 3183600 CPU: 10060.5, 0.00315402/step Wall: 10060.5, 0.00315402/step, 1.59138 hours remaining, 238.046875 MB of memory in use. ENERGY: 3183600 3978.9067 20435.7675 14462.3974 235.9559 -203594.4245 2755.4983 0.0000 0.0000 51915.5765 -109810.3220 298.3595 -161725.8986 -109449.4709 298.6226 91.3207 122.2742 761244.5543 -1.1555 -1.1415 PRESSURE: 3183800 183.098 -71.4638 -134.378 -71.4643 95.6385 -5.80136 -134.378 -5.80164 326.732 GPRESSURE: 3183800 267.245 -82.8265 -61.4672 21.504 126.158 51.4222 -146.237 -72.694 299.325 PRESSAVG: 3183800 -24.815 15.3764 -12.5413 15.3764 -0.982098 0.146634 -12.5414 0.146632 -1.83495 GPRESSAVG: 3183800 -25.2389 15.0611 -13.4884 15.5941 -2.19332 0.756124 -12.8044 0.139805 -0.860914 TIMING: 3183800 CPU: 10061.1, 0.00313841/step Wall: 10061.1, 0.00313841/step, 1.58333 hours remaining, 238.046875 MB of memory in use. ENERGY: 3183800 3986.0832 20474.1166 14447.6141 235.8929 -203348.4239 2673.4584 0.0000 0.0000 51666.5317 -109864.7271 296.9283 -161531.2587 -109508.1471 299.0617 201.8227 230.9096 760050.7174 -9.2107 -9.4310 PRESSURE: 3184000 -45.6144 -183.702 -137.698 -183.702 -249.201 98.8252 -137.698 98.8258 170.511 GPRESSURE: 3184000 -18.3324 -126.973 -81.3917 -103.043 -198.14 100.491 -138.125 -57.0549 159.28 PRESSAVG: 3184000 45.0802 -46.2112 46.6256 -46.2113 -24.0675 43.0533 46.6256 43.0533 8.94534 GPRESSAVG: 3184000 45.1524 -45.9813 48.0083 -45.2163 -23.8094 43.0929 47.9039 41.7104 8.7206 TIMING: 3184000 CPU: 10061.8, 0.0031301/step Wall: 10061.8, 0.0031301/step, 1.57896 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3184000 4012.2950 20577.6381 14373.3615 247.0029 -203378.9394 2472.4050 0.0000 0.0000 51902.8600 -109793.3769 298.2864 -161696.2369 -109432.4693 298.8905 -41.4349 -19.0641 760727.7064 9.9860 10.0212 PRESSURE: 3184200 -101.008 125.64 16.4194 125.64 49.5932 109.461 16.4198 109.462 -243.051 GPRESSURE: 3184200 24.0275 139.861 6.6774 112.404 19.8719 155.814 77.763 43.088 -244.522 PRESSAVG: 3184200 14.6316 -39.4136 -26.2233 -39.4137 -19.0352 35.4062 -26.2234 35.4062 5.0016 GPRESSAVG: 3184200 15.2812 -39.7735 -25.9435 -39.5203 -19.2105 33.9594 -26.7261 37.3902 4.92498 TIMING: 3184200 CPU: 10062.4, 0.00314619/step Wall: 10062.4, 0.00314619/step, 1.5869 hours remaining, 238.046875 MB of memory in use. ENERGY: 3184200 4031.6301 20460.9741 14452.7020 217.9159 -203802.9816 2699.8894 0.0000 0.0000 52070.2372 -109869.6328 299.2484 -161939.8700 -109509.5711 298.8032 -98.1554 -66.8742 759368.9344 0.1994 0.3319 LDB: ============= START OF LOAD BALANCING ============== 10074.8 LDB: ============== END OF LOAD BALANCING =============== 10074.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10074.8 LDB: ============= START OF LOAD BALANCING ============== 10075.1 LDB: Largest compute 7058 load 0.034369 is 17.5% of average load 0.196014 LDB: Average compute 0.004376 is 2.2% of average load 0.196014 LDB: TIME 10075.1 LOAD: AVG 0.196014 MAX 0.213195 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 10075.1 LOAD: AVG 0.196014 MAX 0.213195 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 10075.1 LOAD: AVG 0.196014 MAX 0.213195 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 10075.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10075.1 PRESSURE: 3184400 -28.5332 17.2224 -176.496 17.222 94.749 -184.728 -176.495 -184.728 66.5202 GPRESSURE: 3184400 0.812703 41.5547 -107.33 19.5703 174.918 -163.35 -51.0901 -285.359 56.7274 PRESSAVG: 3184400 -10.7451 -12.9172 -46.4662 -12.9172 12.553 17.2455 -46.4662 17.2456 10.2993 GPRESSAVG: 3184400 -12.5575 -12.4659 -48.1769 -13.1397 14.002 18.4353 -44.3713 16.3561 10.7563 TIMING: 3184400 CPU: 10063, 0.00321264/step Wall: 10063, 0.00321264/step, 1.62024 hours remaining, 236.753906 MB of memory in use. ENERGY: 3184400 3960.7900 20649.0139 14372.8989 236.8127 -203272.9211 2403.5527 0.0000 0.0000 51959.9684 -109689.8845 298.6147 -161649.8529 -109337.0925 299.1730 44.2453 77.4860 761122.1232 4.0358 4.0669 PRESSURE: 3184600 166.548 6.956 136.869 6.95551 228.059 131.922 136.868 131.923 -256.899 GPRESSURE: 3184600 148.303 -42.9075 137.867 47.2309 263.817 178.594 56.4557 194.016 -188.718 PRESSAVG: 3184600 98.5175 -31.5645 -36.4257 -31.5646 -49.7322 -9.24416 -36.4257 -9.24416 7.56473 GPRESSAVG: 3184600 99.9807 -33.5191 -34.8862 -30.6697 -49.6453 -9.21195 -37.9139 -10.5257 6.65125 TIMING: 3184600 CPU: 10063.7, 0.00316238/step Wall: 10063.7, 0.00316238/step, 1.59472 hours remaining, 236.753906 MB of memory in use. ENERGY: 3184600 3975.1494 20612.8813 14385.5726 243.6856 -203585.9679 2526.2119 0.0000 0.0000 52049.1875 -109793.2797 299.1274 -161842.4672 -109434.2762 299.0168 45.9026 74.4672 761043.7531 18.7833 18.9955 PRESSURE: 3184800 -27.982 -76.7797 -0.688537 -76.7793 -192.132 84.8782 -0.689426 84.8786 215.842 GPRESSURE: 3184800 -29.6781 18.0655 47.899 -5.7596 -116.21 47.7108 -6.57463 119.64 239.849 PRESSAVG: 3184800 25.5593 -30.4383 22.6205 -30.4383 -15.2938 5.00301 22.6206 5.003 -9.70236 GPRESSAVG: 3184800 25.2559 -28.9336 25.0407 -30.6507 -15.9418 2.93645 20.021 8.22353 -8.8912 TIMING: 3184800 CPU: 10064.3, 0.00314596/step Wall: 10064.3, 0.00314596/step, 1.58626 hours remaining, 236.753906 MB of memory in use. ENERGY: 3184800 4056.2233 20454.5052 14346.6723 240.4358 -203828.5168 2810.4038 0.0000 0.0000 51895.5360 -110024.7404 298.2444 -161920.2763 -109668.8353 298.5431 -1.4241 31.3202 761679.9740 0.1877 0.1410 PRESSURE: 3185000 281.807 162.587 118.631 162.587 355.548 126.538 118.633 126.539 156.833 GPRESSURE: 3185000 315.483 7.31826 53.7289 203.906 371.936 156.416 -3.95466 30.0249 203.829 PRESSAVG: 3185000 -15.336 -19.6763 25.7536 -19.6764 -7.24058 -18.6281 25.7535 -18.628 -10.2983 GPRESSAVG: 3185000 -14.717 -22.735 23.3217 -19.945 -7.02194 -17.6082 28.1275 -21.0128 -10.4812 TIMING: 3185000 CPU: 10064.9, 0.00314387/step Wall: 10064.9, 0.00314387/step, 1.58504 hours remaining, 236.753906 MB of memory in use. ENERGY: 3185000 3978.1860 20255.6200 14335.4129 248.6627 -203654.8962 2757.3260 0.0000 0.0000 52046.6501 -110033.0386 299.1128 -162079.6887 -109669.0524 298.2875 264.7295 297.0827 759687.4135 -10.9583 -10.7400 PRESSURE: 3185200 -0.294587 -146.225 -219.15 -146.226 210.903 36.0545 -219.151 36.0546 -610.407 GPRESSURE: 3185200 -20.1034 -125.603 -235.618 -15.4964 224.084 32.793 -154.603 104.247 -533.346 PRESSAVG: 3185200 59.9355 35.2475 14.7528 35.2475 -25.5925 2.72201 14.7528 2.72193 16.7831 GPRESSAVG: 3185200 58.6179 37.2935 13.881 33.6144 -24.9489 2.63643 13.6477 4.11169 17.1434 TIMING: 3185200 CPU: 10065.6, 0.00314107/step Wall: 10065.6, 0.00314107/step, 1.58345 hours remaining, 236.753906 MB of memory in use. ENERGY: 3185200 3992.8392 20471.9339 14344.6728 240.1089 -203101.0721 2221.4389 0.0000 0.0000 51852.1279 -109977.9505 297.9949 -161830.0784 -109619.8307 298.4724 -133.2662 -109.7883 760965.1468 17.0420 16.9375 PRESSURE: 3185400 -233.333 -54.0859 89.8458 -54.0861 -82.224 83.2366 89.8459 83.2377 -173.006 GPRESSURE: 3185400 -284.707 -75.0358 19.5689 -32.4948 39.0193 106.189 125.944 75.9762 -148.698 PRESSAVG: 3185400 -28.4842 21.5677 -65.8128 21.5677 -20.5707 -39.4557 -65.8128 -39.4558 12.5635 GPRESSAVG: 3185400 -27.9462 22.1984 -65.0881 22.2917 -20.7472 -39.186 -64.2864 -41.063 12.711 TIMING: 3185400 CPU: 10066.2, 0.003178/step Wall: 10066.2, 0.003178/step, 1.60189 hours remaining, 236.753906 MB of memory in use. ENERGY: 3185400 4037.3179 20562.6937 14345.6879 244.4418 -203494.6310 2520.8068 0.0000 0.0000 51882.8906 -109900.7922 298.1717 -161783.6828 -109549.3872 298.7093 -162.8544 -131.4618 762658.9527 -12.1638 -11.9941 PRESSURE: 3185600 10.9927 -256.642 83.5667 -256.642 -27.0686 -112.233 83.567 -112.233 -151.699 GPRESSURE: 3185600 151.696 -250.802 47.4237 -216.065 -32.4135 -73.0198 67.7913 40.5436 -218.975 PRESSAVG: 3185600 43.5611 20.266 -21.1534 20.266 -63.1893 -71.5964 -21.1535 -71.5963 -26.2867 GPRESSAVG: 3185600 44.8175 18.5334 -21.1427 20.1875 -63.7905 -70.2329 -22.1211 -71.1917 -26.9382 TIMING: 3185600 CPU: 10066.8, 0.00315443/step Wall: 10066.8, 0.00315443/step, 1.58983 hours remaining, 236.753906 MB of memory in use. ENERGY: 3185600 3953.0258 20398.6477 14408.1253 258.1973 -203165.0926 2381.7543 0.0000 0.0000 51693.4491 -110071.8932 297.0830 -161765.3423 -109716.9379 298.7805 -55.9249 -33.2309 759996.6640 -15.3050 -15.3037 PRESSURE: 3185800 112.141 -6.07968 -34.5755 -6.07862 261.389 55.1102 -34.577 55.1101 329.685 GPRESSURE: 3185800 153.123 -53.8953 -89.1478 -16.8223 304.418 69.525 7.02485 -71.6755 318.456 PRESSAVG: 3185800 65.2119 -36.2619 -28.4037 -36.2619 -57.287 -15.9517 -28.4037 -15.9517 -10.7626 GPRESSAVG: 3185800 64.3065 -36.2113 -27.5573 -36.3037 -57.6722 -18.079 -26.8178 -16.3384 -9.47938 TIMING: 3185800 CPU: 10067.5, 0.00317054/step Wall: 10067.5, 0.00317054/step, 1.59778 hours remaining, 236.753906 MB of memory in use. ENERGY: 3185800 3925.7076 20408.8410 14375.5781 247.1592 -203260.7743 2557.4011 0.0000 0.0000 51785.6671 -109960.4200 297.6129 -161746.0872 -109603.2905 298.3496 234.4049 258.6658 759710.5676 -0.9459 -0.9484 PRESSURE: 3186000 -1.9345 -101.346 -322.632 -101.345 -149.117 79.7477 -322.632 79.7478 -466.122 GPRESSURE: 3186000 2.40887 -135.5 -339.911 -171.073 -45.1967 97.4903 -198.702 62.5326 -476.889 PRESSAVG: 3186000 10.3326 -24.1539 -53.0997 -24.1539 -25.563 12.0905 -53.0997 12.0905 -5.60715 GPRESSAVG: 3186000 10.5338 -21.5423 -54.0836 -24.4858 -24.4883 12.2455 -54.104 13.5615 -6.49494 TIMING: 3186000 CPU: 10068.1, 0.00315298/step Wall: 10068.1, 0.00315298/step, 1.58875 hours remaining, 236.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3186000 3960.6627 20448.2578 14312.1258 249.0929 -203100.5124 2346.3373 0.0000 0.0000 52097.4149 -109686.6211 299.4046 -161784.0360 -109325.6488 298.6258 -205.7244 -173.2256 761702.7121 -6.9458 -6.8165 PRESSURE: 3186200 -128.863 172.527 -165.511 172.527 -236.385 -15.6273 -165.513 -15.6271 17.0158 GPRESSURE: 3186200 -73.6405 141.246 -64.6065 145.393 -251.539 -57.1569 -79.846 -39.1158 84.2556 PRESSAVG: 3186200 15.1574 2.3891 -69.0482 2.38911 -32.6649 29.0339 -69.0483 29.0339 -12.8043 GPRESSAVG: 3186200 14.8757 -1.12336 -68.0769 2.23631 -32.5717 29.7037 -67.2801 27.8788 -12.6638 TIMING: 3186200 CPU: 10068.7, 0.00314512/step Wall: 10068.7, 0.00314512/step, 1.58461 hours remaining, 236.753906 MB of memory in use. ENERGY: 3186200 3969.1597 20551.3534 14372.3617 234.8637 -203570.0032 2705.4583 0.0000 0.0000 51986.5711 -109750.2353 298.7675 -161736.8064 -109402.5215 298.9262 -116.0775 -80.3081 761058.3910 -10.1039 -10.1199 PRESSURE: 3186400 -467.33 -221.782 -2.72933 -221.782 3.89133 162.219 -2.72937 162.22 56.609 GPRESSURE: 3186400 -346.513 -161.099 43.6932 -221.957 -5.24393 219.09 -71.1283 111.477 15.2067 PRESSAVG: 3186400 34.0337 15.3213 -29.3587 15.3213 -32.8181 13.9824 -29.3587 13.9824 0.101052 GPRESSAVG: 3186400 34.4717 18.0395 -26.6953 15.0087 -32.5957 14.4822 -31.2243 12.7436 -0.696955 TIMING: 3186400 CPU: 10069.4, 0.00315406/step Wall: 10069.4, 0.00315406/step, 1.58894 hours remaining, 236.753906 MB of memory in use. ENERGY: 3186400 4031.5207 20621.9984 14275.5293 237.0679 -203544.8106 2776.4397 0.0000 0.0000 51916.0494 -109686.2053 298.3622 -161602.2547 -109337.9704 299.2487 -135.6100 -112.1833 761724.1133 0.4389 0.3930 PRESSURE: 3186600 -24.7609 187.171 202.076 187.169 256.176 -160.669 202.076 -160.669 -204.557 GPRESSURE: 3186600 -38.8568 217.832 138.634 -44.6129 282.809 -256.577 154.892 -132.563 -144.167 PRESSAVG: 3186600 5.007 -10.2983 19.8963 -10.2983 1.01907 41.8127 19.8964 41.8127 0.483938 GPRESSAVG: 3186600 4.65217 -10.6697 17.0237 -12.8556 0.256906 41.5628 19.9983 42.314 1.64762 TIMING: 3186600 CPU: 10070, 0.00315363/step Wall: 10070, 0.00315363/step, 1.58856 hours remaining, 236.753906 MB of memory in use. ENERGY: 3186600 3981.7048 20688.1981 14351.6100 250.7761 -203443.9866 2739.5946 0.0000 0.0000 51909.5489 -109522.5543 298.3249 -161432.1032 -109148.7077 298.7652 8.9527 33.2617 760801.7597 2.1700 2.1856 PRESSURE: 3186800 -162.299 -250.8 206.795 -250.8 -249.681 -26.959 206.795 -26.9587 76.6896 GPRESSURE: 3186800 -156.577 -240.081 131.491 -117.308 -120.832 -84.5284 151.452 -17.382 45.4639 PRESSAVG: 3186800 -22.2514 -41.5202 34.81 -41.5202 -9.48485 7.75708 34.8101 7.7571 3.96015 GPRESSAVG: 3186800 -22.5296 -41.3739 34.2676 -37.0951 -9.07025 6.59386 35.2723 7.14261 3.97211 TIMING: 3186800 CPU: 10070.6, 0.0031516/step Wall: 10070.6, 0.0031516/step, 1.58736 hours remaining, 236.753906 MB of memory in use. ENERGY: 3186800 3991.3324 20570.7909 14343.3976 252.9016 -203438.4854 2782.4011 0.0000 0.0000 51831.1497 -109666.5120 297.8743 -161497.6617 -109303.1442 298.8687 -111.7631 -77.3149 762330.8379 -9.2587 -9.2092 PRESSURE: 3187000 -148.787 133.802 -222.583 133.802 -88.5538 124.721 -222.583 124.723 181.318 GPRESSURE: 3187000 -60.83 71.0095 -165.587 112.647 -3.72812 159.94 -141.995 137.57 89.3906 PRESSAVG: 3187000 46.9106 -22.1552 -36.1257 -22.1552 -12.0704 40.9895 -36.1258 40.9895 -10.4826 GPRESSAVG: 3187000 48.8689 -22.0528 -35.6896 -24.516 -12.5009 42.1113 -35.9447 42.0634 -11.8886 TIMING: 3187000 CPU: 10071.2, 0.00315168/step Wall: 10071.2, 0.00315168/step, 1.58722 hours remaining, 236.753906 MB of memory in use. ENERGY: 3187000 3902.4930 20548.1247 14368.4119 230.0771 -203316.1977 2590.6680 0.0000 0.0000 51942.3604 -109734.0626 298.5135 -161676.4230 -109376.4877 298.6743 -18.6740 8.2775 760604.1143 8.1192 8.1598 PRESSURE: 3187200 -7.69672 -14.281 -8.10049 -14.2804 8.24881 -116.396 -8.1008 -116.396 218.029 GPRESSURE: 3187200 13.9546 -47.3539 29.4136 23.2909 24.9536 -81.397 101.567 -61.6181 275.251 PRESSAVG: 3187200 33.1221 -53.9796 31.1547 -53.9796 -57.3704 5.89821 31.1546 5.89815 19.4758 GPRESSAVG: 3187200 30.9409 -54.1289 32.6598 -52.0561 -56.6985 5.23878 29.7233 6.89106 20.6592 TIMING: 3187200 CPU: 10071.9, 0.00317574/step Wall: 10071.9, 0.00317574/step, 1.59916 hours remaining, 236.753906 MB of memory in use. ENERGY: 3187200 3949.0025 20631.2935 14303.9307 244.0980 -203579.6810 2809.4721 0.0000 0.0000 52113.4367 -109528.4475 299.4966 -161641.8842 -109160.6748 299.4972 72.8604 104.7197 761844.3117 -1.5908 -1.6995 PRESSURE: 3187400 132.993 -66.0911 -171.2 -66.0915 -136.896 -188.28 -171.201 -188.28 230.047 GPRESSURE: 3187400 133.789 -52.76 -79.3966 3.87083 -93.2126 -158.905 -170.852 -232.783 274.464 PRESSAVG: 3187400 39.9029 -18.5459 35.3842 -18.5459 -15.2158 59.7771 35.3842 59.777 23.0142 GPRESSAVG: 3187400 39.0849 -16.6855 35.1509 -19.2656 -14.3334 59.7069 37.4732 58.161 22.79 TIMING: 3187400 CPU: 10072.5, 0.00315679/step Wall: 10072.5, 0.00315679/step, 1.58944 hours remaining, 236.753906 MB of memory in use. ENERGY: 3187400 3986.5313 20510.6997 14373.0852 247.4368 -203612.2715 2840.7958 0.0000 0.0000 52291.2111 -109362.5114 300.5183 -161653.7226 -108994.0374 300.0437 75.3816 105.0134 759925.8109 15.9004 15.8472 PRESSURE: 3187600 -123.038 -84.2075 271.788 -84.207 -296.909 157.422 271.787 157.422 173.118 GPRESSURE: 3187600 -150.65 101.016 253.054 -23.4731 -200.369 -14.2592 276.504 270.941 179.438 PRESSAVG: 3187600 26.3333 -26.5691 47.3055 -26.5691 -24.51 11.6004 47.3054 11.6004 -10.2684 GPRESSAVG: 3187600 27.4653 -26.604 46.0648 -27.6511 -25.8452 11.9551 45.8487 12.9764 -10.1037 TIMING: 3187600 CPU: 10073.1, 0.00315556/step Wall: 10073.1, 0.00315556/step, 1.58865 hours remaining, 236.753906 MB of memory in use. ENERGY: 3187600 3980.9130 20546.6851 14296.2516 271.5111 -203068.4036 2406.3147 0.0000 0.0000 52279.2756 -109287.4526 300.4497 -161566.7282 -108923.3541 299.8968 -82.2764 -57.1940 759854.6558 -2.8150 -2.8279 PRESSURE: 3187800 -134.335 -49.8288 71.4136 -49.8288 -265.998 -259.671 71.4133 -259.671 193.533 GPRESSURE: 3187800 -89.7629 -89.164 136.011 -16.7628 -220.439 -214.754 104.187 -270.924 158.671 PRESSAVG: 3187800 40.1241 -6.70205 3.80502 -6.70201 1.8876 10.3428 3.80493 10.3427 10.9893 GPRESSAVG: 3187800 40.6436 -7.53384 4.0277 -6.92503 1.86252 10.6928 4.51164 8.70153 11.2295 TIMING: 3187800 CPU: 10073.8, 0.0031499/step Wall: 10073.8, 0.00314989/step, 1.58562 hours remaining, 236.753906 MB of memory in use. ENERGY: 3187800 4046.4708 20465.6642 14392.6935 263.0215 -203231.0567 2452.0092 0.0000 0.0000 52114.0590 -109497.1385 299.5002 -161611.1975 -109126.6742 300.3663 -68.9334 -50.5104 759139.8428 17.6670 17.9119 PRESSURE: 3188000 65.5538 -21.5437 -275.763 -21.5435 47.491 80.9045 -275.763 80.905 -22.1351 GPRESSURE: 3188000 130.067 -68.0837 -245.294 2.97305 39.5602 124.437 -155.15 15.1169 9.26771 PRESSAVG: 3188000 24.8565 -19.2003 -12.299 -19.2003 -59.1493 11.5321 -12.299 11.5322 32.2294 GPRESSAVG: 3188000 25.0526 -19.8366 -12.8573 -19.5638 -58.1546 11.87 -13.286 13.6142 30.904 TIMING: 3188000 CPU: 10074.4, 0.00315755/step Wall: 10074.4, 0.00315755/step, 1.5893 hours remaining, 236.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3188000 3996.2265 20659.9084 14289.0747 220.8229 -203154.8221 2471.2583 0.0000 0.0000 52090.2169 -109427.3145 299.3632 -161517.5313 -109061.2735 300.3459 30.3032 59.6315 758775.5343 -0.6878 -0.7327 PRESSURE: 3188200 104.088 -28.7422 -27.5406 -28.7418 -62.445 4.14883 -27.5405 4.14867 183.508 GPRESSURE: 3188200 109.725 91.1384 -53.9729 -71.4801 50.9301 4.80627 -55.7555 -8.35927 161.123 PRESSAVG: 3188200 60.6326 -38.3592 33.6904 -38.3592 0.365447 -25.3605 33.6904 -25.3605 -24.3774 GPRESSAVG: 3188200 60.9113 -39.7811 33.3639 -36.732 -0.42896 -26.0706 35.6068 -26.497 -24.2321 TIMING: 3188200 CPU: 10075, 0.00316907/step Wall: 10075, 0.00316907/step, 1.59492 hours remaining, 236.753906 MB of memory in use. ENERGY: 3188200 3957.6077 20404.4775 14375.3253 261.8637 -203245.3602 2458.7061 0.0000 0.0000 52116.6289 -109670.7510 299.5150 -161787.3799 -109301.8986 299.9174 75.0504 107.2596 759831.4978 12.2069 12.0834 LDB: ============= START OF LOAD BALANCING ============== 10087.4 LDB: ============== END OF LOAD BALANCING =============== 10087.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10087.4 LDB: ============= START OF LOAD BALANCING ============== 10087.8 LDB: Largest compute 7058 load 0.034830 is 17.8% of average load 0.196105 LDB: Average compute 0.004372 is 2.2% of average load 0.196105 LDB: TIME 10087.8 LOAD: AVG 0.196105 MAX 0.212508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.574 MB LDB: TIME 10087.8 LOAD: AVG 0.196105 MAX 0.212508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.617 MB LDB: TIME 10087.8 LOAD: AVG 0.196105 MAX 0.212508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.617 MB LDB: ============== END OF LOAD BALANCING =============== 10087.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10087.8 PRESSURE: 3188400 -169.226 21.8843 44.6972 21.8837 -78.7961 -117.706 44.6971 -117.706 114.896 GPRESSURE: 3188400 -124.343 -3.11705 57.1162 -6.24429 -52.2508 -12.2289 29.3072 -78.3131 122.141 PRESSAVG: 3188400 -22.9413 -15.0205 2.76702 -15.0205 17.6298 18.594 2.76701 18.594 18.2995 GPRESSAVG: 3188400 -23.6173 -14.5639 3.66511 -14.7448 17.2815 17.7279 2.44063 18.2694 19.6794 TIMING: 3188400 CPU: 10075.7, 0.00323236/step Wall: 10075.7, 0.00323236/step, 1.62659 hours remaining, 239.640625 MB of memory in use. ENERGY: 3188400 3984.0171 20643.5363 14336.3775 234.7386 -203487.1458 2558.3909 0.0000 0.0000 52235.5383 -109494.5471 300.1984 -161730.0855 -109130.6657 299.3504 -44.3751 -18.1511 760489.7968 4.3293 4.4479 PRESSURE: 3188600 82.1575 -136.992 4.02618 -136.993 65.1633 -168.806 4.02657 -168.805 281.478 GPRESSURE: 3188600 101.042 -100.236 57.3051 -38.5939 37.0825 -156.29 -64.5917 -74.4298 372.245 PRESSAVG: 3188600 16.3791 -38.5751 25.5458 -38.5751 -8.09752 -63.3943 25.5459 -63.3943 22.7127 GPRESSAVG: 3188600 16.0659 -37.9392 25.7693 -37.022 -7.57353 -61.9552 24.7025 -62.6288 22.322 TIMING: 3188600 CPU: 10076.3, 0.0031574/step Wall: 10076.3, 0.0031574/step, 1.5887 hours remaining, 239.843750 MB of memory in use. ENERGY: 3188600 3905.6906 20508.6734 14375.4596 249.9008 -203162.4327 2543.6776 0.0000 0.0000 52086.0824 -109492.9482 299.3394 -161579.0306 -109135.0359 299.3940 142.9328 170.1230 758938.4436 10.3314 10.2715 PRESSURE: 3188800 -177.085 -123.081 -167.76 -123.081 -9.21359 73.631 -167.761 73.6302 85.5436 GPRESSURE: 3188800 -128.298 -273.649 -248.183 -52.7885 86.6222 96.6853 -99.447 80.2763 56.1383 PRESSAVG: 3188800 -9.16599 -40.4868 24.5614 -40.4868 38.5493 -44.7018 24.5614 -44.7019 7.93743 GPRESSAVG: 3188800 -9.70378 -39.7847 25.2403 -42.3767 40.228 -45.9527 24.0676 -45.9082 6.7268 TIMING: 3188800 CPU: 10076.9, 0.00314899/step Wall: 10076.9, 0.00314899/step, 1.58429 hours remaining, 239.843750 MB of memory in use. ENERGY: 3188800 3982.6378 20545.7250 14326.6813 240.8074 -203400.3219 2655.0828 0.0000 0.0000 51962.8542 -109686.5334 298.6312 -161649.3876 -109329.5111 299.4739 -33.5850 4.8209 760830.1166 12.4403 12.4170 PRESSURE: 3189000 -120.314 -152.249 -253.366 -152.25 117.967 -18.1437 -253.366 -18.1438 327.34 GPRESSURE: 3189000 46.278 -61.3088 -309.847 -125.43 -30.1109 56.696 -156.623 -101.666 396.425 PRESSAVG: 3189000 -33.5014 10.3375 5.56734 10.3375 54.712 -24.8214 5.56732 -24.8214 -5.36685 GPRESSAVG: 3189000 -33.0837 12.2023 5.29602 9.33599 52.9459 -24.2715 4.24843 -23.5756 -3.60677 TIMING: 3189000 CPU: 10077.6, 0.00317429/step Wall: 10077.6, 0.00317429/step, 1.59685 hours remaining, 239.843750 MB of memory in use. ENERGY: 3189000 4000.2264 20534.4184 14395.5596 245.6692 -203307.5078 2523.8275 0.0000 0.0000 51975.5400 -109632.2667 298.7041 -161607.8067 -109275.6993 299.1446 108.3312 137.5308 760816.9851 5.2813 5.4185 PRESSURE: 3189200 96.8579 -155.995 -60.2122 -155.994 197.433 61.575 -60.2123 61.5752 440.454 GPRESSURE: 3189200 122.825 -195.855 -181.771 -117.503 199.195 94.881 44.0319 67.4152 505.261 PRESSAVG: 3189200 -4.82645 -48.6835 41.998 -48.6835 41.9942 51.9835 41.998 51.9835 6.01245 GPRESSAVG: 3189200 -3.78292 -50.8046 42.1198 -49.9206 42.3881 51.4466 44.0331 50.4312 4.56478 TIMING: 3189200 CPU: 10078.2, 0.00317284/step Wall: 10078.2, 0.00317284/step, 1.59594 hours remaining, 239.843750 MB of memory in use. ENERGY: 3189200 4055.5143 20689.7638 14367.9762 241.0858 -203906.7915 2986.7221 0.0000 0.0000 51911.8925 -109653.8369 298.3384 -161565.7293 -109298.7713 298.5012 244.9148 275.7604 759899.8407 14.3934 14.3900 PRESSURE: 3189400 -87.1002 64.5964 -85.3131 64.5967 -51.5006 -87.0838 -85.3128 -87.0823 284.398 GPRESSURE: 3189400 -141.888 103.96 -106.414 -115.888 21.2211 -20.6415 29.8 -45.9432 345.289 PRESSAVG: 3189400 1.42236 -53.7713 9.56247 -53.7713 2.18377 -31.6802 9.56248 -31.6802 13.0544 GPRESSAVG: 3189400 0.383673 -56.4799 10.0389 -50.7368 1.56409 -29.2071 8.73845 -31.2684 14.5445 TIMING: 3189400 CPU: 10078.8, 0.00315577/step Wall: 10078.8, 0.00315577/step, 1.58717 hours remaining, 239.843750 MB of memory in use. ENERGY: 3189400 3960.0631 20627.8951 14349.9752 234.7837 -203658.6885 2754.2200 0.0000 0.0000 52168.4448 -109563.3066 299.8128 -161731.7514 -109204.0900 299.6707 48.5992 74.8741 762066.7626 5.5535 5.4974 PRESSURE: 3189600 39.1175 -247.343 90.3345 -247.343 92.9467 -145.703 90.3356 -145.703 -322.548 GPRESSURE: 3189600 -3.81098 -175.333 176.319 -263.567 199.433 -64.5714 158.991 -151.011 -289.681 PRESSAVG: 3189600 4.40052 -62.2436 3.42441 -62.2437 -17.7324 44.2106 3.4244 44.2106 -0.15723 GPRESSAVG: 3189600 4.24388 -58.2971 2.00941 -64.7233 -16.6906 43.4845 4.13492 46.6417 -0.804598 TIMING: 3189600 CPU: 10079.5, 0.00316293/step Wall: 10079.5, 0.00316293/step, 1.5906 hours remaining, 239.843750 MB of memory in use. ENERGY: 3189600 4036.8609 20545.8321 14350.1623 236.4325 -203833.9188 2842.8501 0.0000 0.0000 52337.0805 -109484.7004 300.7819 -161821.7809 -109108.4275 299.6254 -63.4946 -31.3529 761246.4928 -4.4964 -4.4171 PRESSURE: 3189800 -378.718 -22.1767 -5.80122 -22.1774 -528.344 79.5196 -5.80063 79.5185 -680.631 GPRESSURE: 3189800 -371.554 15.9456 -35.5235 -26.4724 -472.831 -7.43397 15.4399 28.6428 -644.909 PRESSAVG: 3189800 47.8728 -4.97709 8.12365 -4.97706 -35.1372 -26.808 8.12361 -26.8081 -2.98126 GPRESSAVG: 3189800 48.6648 -5.08402 7.99465 -3.61434 -35.3814 -26.7232 8.56822 -30.0326 -3.31713 TIMING: 3189800 CPU: 10080.1, 0.00313841/step Wall: 10080.1, 0.00313841/step, 1.5781 hours remaining, 239.843750 MB of memory in use. ENERGY: 3189800 4083.6991 20463.2304 14294.1445 256.8575 -203251.4035 2367.9253 0.0000 0.0000 52173.5632 -109611.9836 299.8422 -161785.5467 -109247.5702 299.1742 -529.2311 -496.4314 763731.9308 3.2515 3.3221 PRESSURE: 3190000 -18.4724 198.58 141.743 198.58 111.176 -110.586 141.742 -110.586 -10.4704 GPRESSURE: 3190000 49.117 130.198 189.171 152.245 173.193 -106.131 61.0817 -59.9969 -45.952 PRESSAVG: 3190000 72.565 -19.0663 30.1006 -19.0663 -75.7592 9.89275 30.1005 9.89279 2.87406 GPRESSAVG: 3190000 71.481 -19.3425 30.9072 -18.9979 -74.39 10.0427 30.1563 10.3778 2.93044 TIMING: 3190000 CPU: 10080.7, 0.00315249/step Wall: 10080.7, 0.00315249/step, 1.585 hours remaining, 239.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3190000 3933.2249 20613.4905 14382.9920 243.0971 -203605.8431 2839.2441 0.0000 0.0000 52009.3472 -109584.4470 298.8984 -161593.7943 -109228.9285 299.0598 27.4111 58.7861 762488.0605 -0.1067 0.0072 PRESSURE: 3190200 219.812 61.7162 73.5436 61.7152 -62.3544 49.7808 73.5427 49.7806 -60.1663 GPRESSURE: 3190200 291.972 133.848 78.8358 -106.093 -20.373 35.4535 101.787 111.594 -81.8371 PRESSAVG: 3190200 12.6685 22.0967 7.87794 22.0967 -41.2711 40.8876 7.87798 40.8876 -9.94661 GPRESSAVG: 3190200 14.2615 21.4703 7.7038 21.0445 -42.9889 39.9396 7.4101 40.4703 -9.59104 TIMING: 3190200 CPU: 10081.4, 0.00317269/step Wall: 10081.4, 0.00317269/step, 1.59498 hours remaining, 239.843750 MB of memory in use. ENERGY: 3190200 4003.0343 20548.3333 14362.6457 245.8073 -203510.7857 2727.4447 0.0000 0.0000 52015.5761 -109607.9444 298.9342 -161623.5204 -109243.9636 298.8369 32.4304 63.2540 763165.8181 -12.8497 -12.7728 PRESSURE: 3190400 -229.073 -300.811 -44.573 -300.811 27.7808 72.4751 -44.574 72.4734 49.6861 GPRESSURE: 3190400 -118.644 -211.332 57.6918 -182.106 11.47 -20.3137 -96.6925 75.4339 41.9273 PRESSAVG: 3190400 -21.816 -14.8848 -54.9343 -14.8848 10.2335 46.6751 -54.9343 46.6751 -14.6517 GPRESSAVG: 3190400 -21.2495 -13.9128 -54.7463 -11.4097 9.89518 48.2473 -54.1576 47.4613 -14.8325 TIMING: 3190400 CPU: 10082, 0.00317048/step Wall: 10082, 0.00317048/step, 1.59369 hours remaining, 239.843750 MB of memory in use. ENERGY: 3190400 4007.8809 20581.8515 14312.6082 232.4673 -203556.0477 2761.6784 0.0000 0.0000 52100.3845 -109559.1768 299.4216 -161659.5613 -109202.7387 298.9755 -50.5354 -21.7489 762172.6549 -8.7447 -8.7290 PRESSURE: 3190600 -52.4138 92.6162 133.782 92.6158 70.5365 41.3801 133.781 41.3802 110.347 GPRESSURE: 3190600 -11.361 150.583 192.33 -29.5129 88.2035 45.2449 195.523 -21.0271 130.907 PRESSAVG: 3190600 4.08682 -14.1029 -29.0896 -14.103 -10.7132 -46.2961 -29.0895 -46.296 -0.42884 GPRESSAVG: 3190600 3.07056 -13.5096 -28.3807 -15.7907 -10.2556 -47.5065 -30.7576 -45.6738 -0.0782117 TIMING: 3190600 CPU: 10082.6, 0.00314912/step Wall: 10082.6, 0.00314912/step, 1.58278 hours remaining, 239.843750 MB of memory in use. ENERGY: 3190600 3950.2622 20652.0755 14340.9155 252.9992 -203267.0054 2457.0849 0.0000 0.0000 51934.0746 -109679.5935 298.4658 -161613.6681 -109326.0132 298.8158 42.8232 69.2498 761237.6062 -2.3517 -2.4211 PRESSURE: 3190800 -218.161 -95.7179 -129.883 -95.7173 -232.591 -5.96412 -129.884 -5.96581 60.469 GPRESSURE: 3190800 -160.76 -91.5622 -54.6173 -91.7145 -243.454 36.959 -129.202 -70.0777 107.076 PRESSAVG: 3190800 25.9308 -3.24627 -12.1898 -3.24628 -18.9008 -0.731198 -12.1899 -0.731185 0.172978 GPRESSAVG: 3190800 26.311 -4.58966 -12.7511 -4.87071 -18.4382 0.520506 -14.1221 0.65572 -0.30118 TIMING: 3190800 CPU: 10083.3, 0.00313809/step Wall: 10083.3, 0.00313809/step, 1.57706 hours remaining, 239.843750 MB of memory in use. ENERGY: 3190800 3969.6191 20516.7476 14339.6267 264.4821 -203224.0994 2457.0044 0.0000 0.0000 52167.0795 -109509.5400 299.8049 -161676.6195 -109144.9175 299.0670 -130.0942 -99.0462 759437.3830 2.4010 2.5239 PRESSURE: 3191000 -115.316 2.37967 89.0032 2.37979 59.2343 37.8347 89.0027 37.8348 -163.537 GPRESSURE: 3191000 -105.366 -67.4595 117.023 12.2001 76.5313 7.29324 -73.1732 32.2074 -98.1059 PRESSAVG: 3191000 5.02705 -37.591 48.2215 -37.591 -27.1909 -22.364 48.2214 -22.364 7.03545 GPRESSAVG: 3191000 4.40945 -38.4045 48.2659 -36.6179 -26.5809 -24.7912 52.0888 -21.7088 7.03451 TIMING: 3191000 CPU: 10083.9, 0.00313353/step Wall: 10083.9, 0.00313353/step, 1.5746 hours remaining, 239.843750 MB of memory in use. ENERGY: 3191000 3980.1175 20500.1593 14313.1156 251.6491 -203066.5717 2463.7166 0.0000 0.0000 52213.5373 -109344.2763 300.0719 -161557.8137 -108981.5290 299.6762 -73.2063 -42.3134 760996.6872 -5.0428 -5.0456 PRESSURE: 3191200 -25.1622 -195.436 -0.21612 -195.436 215.268 76.2961 -0.217424 76.2958 -80.6861 GPRESSURE: 3191200 80.3682 -35.1538 -45.1474 -312.117 247.037 26.7601 13.5277 103.845 -109.614 PRESSAVG: 3191200 19.0925 -48.2168 -31.0602 -48.2168 11.8366 -53.0831 -31.0602 -53.0831 -6.45415 GPRESSAVG: 3191200 20.0721 -47.1648 -32.6402 -47.1918 10.7308 -52.162 -32.6574 -53.3405 -6.49791 TIMING: 3191200 CPU: 10084.5, 0.00314357/step Wall: 10084.5, 0.00314357/step, 1.57947 hours remaining, 239.843750 MB of memory in use. ENERGY: 3191200 4045.0198 20428.3985 14341.6730 236.0198 -203603.2431 2673.3655 0.0000 0.0000 52222.0511 -109656.7154 300.1208 -161878.7665 -109294.0189 299.6088 36.4732 72.5970 760446.2206 8.1583 8.1017 PRESSURE: 3191400 140.681 -222.797 -81.6801 -222.796 -276.968 -105.887 -81.68 -105.886 -196.653 GPRESSURE: 3191400 93.5333 -255.069 -83.9817 -76.9859 -206.283 -104.972 -88.8463 -164.606 -135.448 PRESSAVG: 3191400 2.1988 -17.4746 6.98572 -17.4746 -39.2106 -10.3252 6.98578 -10.3252 -13.4035 GPRESSAVG: 3191400 2.50695 -17.8674 6.32899 -17.9835 -39.5268 -10.6471 8.24092 -12.173 -13.2239 TIMING: 3191400 CPU: 10085.1, 0.00313886/step Wall: 10085.1, 0.00313886/step, 1.57693 hours remaining, 239.843750 MB of memory in use. ENERGY: 3191400 3967.7392 20548.3207 14342.8218 236.0193 -203192.2486 2490.8579 0.0000 0.0000 51940.6063 -109665.8834 298.5034 -161606.4897 -109312.8111 298.8366 -110.9800 -82.7326 763352.7157 -16.8051 -16.7479 PRESSURE: 3191600 89.4717 111.345 155.937 111.345 -273.871 291.574 155.938 291.574 -10.9825 GPRESSURE: 3191600 96.214 37.8173 190.76 -49.0909 -177.52 245.899 131.775 297.334 -30.8512 PRESSAVG: 3191600 14.843 -31.7815 35.7421 -31.7815 -81.7116 -48.7984 35.7422 -48.7983 -16.1191 GPRESSAVG: 3191600 14.0653 -33.4189 38.0223 -31.8432 -81.1588 -48.002 34.6707 -49.2683 -15.6039 TIMING: 3191600 CPU: 10085.8, 0.00314185/step Wall: 10085.8, 0.00314185/step, 1.57825 hours remaining, 239.843750 MB of memory in use. ENERGY: 3191600 3981.0440 20368.5986 14397.5200 254.8101 -203494.5519 2711.9123 0.0000 0.0000 52172.1011 -109608.5659 299.8338 -161780.6670 -109243.8849 299.1882 -65.1273 -37.3857 762349.0937 -27.6626 -27.5658 PRESSURE: 3191800 67.404 -96.8169 73.1868 -96.817 176.084 -26.7403 73.1861 -26.7413 166.517 GPRESSURE: 3191800 115.583 -205.097 114.42 -136.858 129.079 -34.5427 65.2261 2.63124 263.158 PRESSAVG: 3191800 40.1585 6.19674 35.6279 6.19666 -48.9441 12.5049 35.6279 12.5049 -2.08303 GPRESSAVG: 3191800 40.9859 7.48238 35.6333 4.99227 -49.2482 13.004 36.7673 12.4459 -2.81839 TIMING: 3191800 CPU: 10086.4, 0.00316153/step Wall: 10086.4, 0.00316153/step, 1.58797 hours remaining, 239.843750 MB of memory in use. ENERGY: 3191800 3985.4329 20477.0296 14465.5443 248.3235 -203744.6829 2747.7037 0.0000 0.0000 52197.7121 -109622.9369 299.9810 -161820.6490 -109257.2416 299.4429 136.6685 169.2730 761421.2381 -3.6229 -3.6936 PRESSURE: 3192000 153.005 74.2753 78.7099 74.276 -75.7553 120.26 78.7093 120.26 157.376 GPRESSURE: 3192000 155.197 121.149 154.559 3.24791 27.9328 94.4668 42.1713 99.0409 146.773 PRESSAVG: 3192000 36.9345 -55.1143 56.4688 -55.1143 -21.8104 -24.1939 56.4688 -24.1939 17.8199 GPRESSAVG: 3192000 35.9112 -56.2496 55.8843 -52.4219 -20.9808 -25.3114 54.6575 -22.1167 17.8426 TIMING: 3192000 CPU: 10087, 0.00317973/step Wall: 10087, 0.00317973/step, 1.59693 hours remaining, 239.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3192000 3886.4958 20242.2590 14375.7367 245.3700 -203547.4345 2621.0020 0.0000 0.0000 52412.9373 -109763.6336 301.2179 -162176.5709 -109391.7915 299.3707 78.2084 109.9675 760354.9714 10.9814 10.9243 PRESSURE: 3192200 -120.709 -180.613 115.34 -180.613 -330.04 -26.0507 115.341 -26.051 175.407 GPRESSURE: 3192200 -111.863 -116.597 83.6088 -191.893 -224.128 -159.923 0.996243 40.2014 165.384 PRESSAVG: 3192200 86.3883 -33.2616 43.202 -33.2615 -82.783 -15.9558 43.202 -15.9558 13.5502 GPRESSAVG: 3192200 87.0276 -33.2415 43.6614 -33.2064 -83.6366 -13.7746 43.8581 -19.471 13.1173 TIMING: 3192200 CPU: 10087.7, 0.00315524/step Wall: 10087.7, 0.00315524/step, 1.58446 hours remaining, 239.843750 MB of memory in use. ENERGY: 3192200 4000.3735 20527.2708 14346.4152 276.2444 -203163.8452 2290.9564 0.0000 0.0000 51877.5622 -109845.0228 298.1411 -161722.5850 -109490.0586 299.2977 -91.7804 -56.8690 761083.1100 5.7185 5.5028 LDB: ============= START OF LOAD BALANCING ============== 10100.1 LDB: ============== END OF LOAD BALANCING =============== 10100.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10100.1 LDB: ============= START OF LOAD BALANCING ============== 10100.4 LDB: Largest compute 7058 load 0.032397 is 16.5% of average load 0.196247 LDB: Average compute 0.004390 is 2.2% of average load 0.196247 LDB: TIME 10100.4 LOAD: AVG 0.196247 MAX 0.217409 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.805 MB LDB: TIME 10100.4 LOAD: AVG 0.196247 MAX 0.217409 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.805 MB LDB: TIME 10100.4 LOAD: AVG 0.196247 MAX 0.217409 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.805 MB LDB: ============== END OF LOAD BALANCING =============== 10100.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10100.4 PRESSURE: 3192400 28.7799 79.6011 -54.6364 79.6014 -304.219 21.2275 -54.6362 21.2271 -439.809 GPRESSURE: 3192400 -60.2128 -32.6989 45.2802 203.576 -205.194 32.3608 -37.102 -76.8149 -383.056 PRESSAVG: 3192400 11.1509 -13.878 18.5401 -13.8781 -65.7683 -47.2154 18.5401 -47.2155 -5.2887 GPRESSAVG: 3192400 10.4204 -13.708 18.5465 -15.9734 -65.626 -47.7992 17.4156 -47.838 -5.24844 TIMING: 3192400 CPU: 10088.3, 0.0032487/step Wall: 10088.3, 0.0032487/step, 1.63121 hours remaining, 239.054688 MB of memory in use. ENERGY: 3192400 3966.0105 20659.4691 14468.3224 238.6677 -203837.3446 2672.8529 0.0000 0.0000 52078.3140 -109753.7080 299.2948 -161832.0220 -109400.4036 299.0799 -238.4160 -216.1543 760911.7408 -19.9687 -20.1513 PRESSURE: 3192600 149.454 -75.5076 -47.2876 -75.5077 120.506 -280.294 -47.2876 -280.294 40.2819 GPRESSURE: 3192600 190.651 -89.512 -37.6177 25.5305 159.472 -249.348 -70.3652 -138.061 52.6568 PRESSAVG: 3192600 7.02993 -27.7374 -48.4035 -27.7375 -22.3416 10.6092 -48.4035 10.6092 38.7933 GPRESSAVG: 3192600 7.35992 -27.7288 -47.5654 -26.0608 -22.8917 10.0556 -50.0123 10.7558 38.8772 TIMING: 3192600 CPU: 10089, 0.00317063/step Wall: 10089, 0.00317063/step, 1.59183 hours remaining, 239.257812 MB of memory in use. ENERGY: 3192600 3911.9063 20565.0178 14413.9535 238.0565 -203202.5684 2281.8974 0.0000 0.0000 52049.3226 -109742.4143 299.1282 -161791.7370 -109374.2087 299.4558 103.4138 134.2601 759425.7697 7.8272 7.7818 PRESSURE: 3192800 -149.598 260.581 -90.1749 260.581 -110.813 -14.8555 -90.1752 -14.8563 376.898 GPRESSURE: 3192800 -116.741 252.713 -111.587 206.581 -85.6346 -113.742 -115.377 -102.672 410.589 PRESSAVG: 3192800 34.617 -85.5787 -9.57314 -85.5787 -56.5667 -2.25178 -9.57308 -2.2518 -10.5508 GPRESSAVG: 3192800 34.4562 -85.2544 -11.4025 -88.235 -55.139 -1.83952 -6.92721 -1.75522 -11.5648 TIMING: 3192800 CPU: 10089.6, 0.00316693/step Wall: 10089.6, 0.00316693/step, 1.5898 hours remaining, 239.257812 MB of memory in use. ENERGY: 3192800 3949.2091 20446.2617 14377.7696 238.8670 -203864.9256 2777.5727 0.0000 0.0000 52204.5999 -109870.6456 300.0206 -162075.2455 -109515.6761 299.0076 38.8288 69.4046 758895.4888 -10.8335 -10.7492 PRESSURE: 3193000 159.483 -63.6996 -185.177 -63.6998 221.673 -63.8963 -185.178 -63.897 323.812 GPRESSURE: 3193000 220.206 -34.1418 -117.684 -37.9101 265.996 -25.5823 -194.667 -73.3015 308.138 PRESSAVG: 3193000 52.4966 -7.78225 8.68906 -7.78229 -21.8808 -8.68132 8.68904 -8.68125 -12.2124 GPRESSAVG: 3193000 51.1346 -7.49618 8.92697 -7.44709 -21.8503 -9.2777 9.37261 -7.74294 -11.1025 TIMING: 3193000 CPU: 10090.2, 0.00316101/step Wall: 10090.2, 0.00316101/step, 1.58665 hours remaining, 239.257812 MB of memory in use. ENERGY: 3193000 3925.0601 20423.9476 14411.4478 241.9321 -203598.9162 2727.6908 0.0000 0.0000 52132.6754 -109736.1624 299.6072 -161868.8378 -109367.6242 299.2928 234.9891 264.7802 760227.8105 6.1345 6.0606 PRESSURE: 3193200 -475.251 -10.5867 42.8785 -10.5869 -17.6722 -32.2868 42.8788 -32.2863 -189.166 GPRESSURE: 3193200 -376.715 0.619249 17.4441 -70.3168 -98.1281 -63.3697 141.723 25.6005 -134.745 PRESSAVG: 3193200 -26.0631 -61.5293 -22.2573 -61.5292 -12.0547 13.788 -22.2573 13.7879 -10.3183 GPRESSAVG: 3193200 -25.1858 -61.1686 -22.7045 -60.4519 -11.8724 14.517 -24.3915 14.4378 -11.4982 TIMING: 3193200 CPU: 10090.9, 0.00315475/step Wall: 10090.9, 0.00315475/step, 1.58333 hours remaining, 239.257812 MB of memory in use. ENERGY: 3193200 4013.7659 20644.7189 14439.2572 240.4910 -203231.3478 2242.6384 0.0000 0.0000 51968.8569 -109681.6196 298.6657 -161650.4765 -109314.5088 299.2806 -227.3632 -203.1960 760384.7272 -16.1454 -16.1855 PRESSURE: 3193400 -51.645 -79.5249 398.724 -79.5248 -89.5115 -213.898 398.724 -213.899 119.699 GPRESSURE: 3193400 -53.3801 -9.90098 406.612 45.8375 -48.2833 -269.294 260.786 -115.024 160.717 PRESSAVG: 3193400 -11.8467 -35.5819 -29.8423 -35.5819 30.7006 -19.9852 -29.8423 -19.9853 -6.28611 GPRESSAVG: 3193400 -12.3785 -34.7457 -28.9233 -35.8292 29.9371 -19.6252 -27.7028 -21.1997 -5.2313 TIMING: 3193400 CPU: 10091.5, 0.00315088/step Wall: 10091.5, 0.00315088/step, 1.58122 hours remaining, 239.257812 MB of memory in use. ENERGY: 3193400 4006.7589 20391.4449 14370.5374 260.3594 -203533.9307 2475.3816 0.0000 0.0000 52145.2402 -109884.2083 299.6794 -162029.4485 -109509.7536 299.3519 -7.1526 19.6847 759954.4480 4.1893 4.1091 PRESSURE: 3193600 -265.771 -45.4047 106.296 -45.4051 -364.805 -43.0403 106.296 -43.0398 97.0498 GPRESSURE: 3193600 -122.394 13.4868 61.2385 66.0437 -349.499 -172.681 6.41652 163.775 21.7797 PRESSAVG: 3193600 24.1361 -43.4907 -43.7371 -43.4906 27.5653 3.85046 -43.7371 3.85051 -6.15852 GPRESSAVG: 3193600 23.3353 -43.7441 -44.8599 -42.8282 27.8691 3.76002 -45.0903 4.35447 -5.67708 TIMING: 3193600 CPU: 10092.1, 0.0031181/step Wall: 10092.1, 0.0031181/step, 1.56459 hours remaining, 239.257812 MB of memory in use. ENERGY: 3193600 3896.8410 20419.6871 14395.8513 240.3773 -203227.4705 2375.3834 0.0000 0.0000 52011.7103 -109887.6200 298.9120 -161899.3303 -109512.8518 298.9197 -177.8424 -150.0378 762510.5380 15.1809 15.1757 PRESSURE: 3193800 -115.419 -98.8856 61.4086 -98.887 -559.349 143.484 61.4093 143.485 192.684 GPRESSURE: 3193800 -50.9934 -0.624707 166.837 -103.196 -530.977 159.124 33.623 100.789 182.609 PRESSAVG: 3193800 22.7797 -39.1365 -54.0028 -39.1365 -3.21906 12.4326 -54.0028 12.4326 -3.86594 GPRESSAVG: 3193800 24.0183 -39.4394 -53.6073 -39.272 -3.35176 12.3281 -53.3036 12.8393 -5.11664 TIMING: 3193800 CPU: 10092.7, 0.00314495/step Wall: 10092.7, 0.00314495/step, 1.57789 hours remaining, 239.257812 MB of memory in use. ENERGY: 3193800 3921.3488 20405.1461 14368.3564 280.9079 -203296.9678 2412.4739 0.0000 0.0000 52016.6718 -109892.0630 298.9405 -161908.7348 -109518.5299 298.3369 -160.6948 -133.1205 761239.4096 5.2316 5.1833 PRESSURE: 3194000 144.148 108.626 105.394 108.627 221.481 -72.5778 105.394 -72.5774 17.8457 GPRESSURE: 3194000 245.43 114.448 82.5353 72.6052 262.102 28.366 168.918 -41.4043 -22.3264 PRESSAVG: 3194000 104.887 -48.9893 -26.1464 -48.9893 -99.0512 -15.4195 -26.1464 -15.4194 26.1978 GPRESSAVG: 3194000 103.863 -48.487 -26.5934 -50.0803 -98.7546 -14.3609 -26.7618 -17.3872 27.1312 TIMING: 3194000 CPU: 10093.4, 0.00312783/step Wall: 10093.4, 0.00312783/step, 1.56913 hours remaining, 239.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3194000 3924.5935 20587.5304 14253.5164 268.6685 -203738.0192 2950.7987 0.0000 0.0000 51796.1733 -109956.7384 297.6733 -161752.9116 -109593.9509 298.6079 127.8250 161.7350 761761.4640 10.6780 10.7466 PRESSURE: 3194200 45.2505 179.573 -132.171 179.573 -206.064 -30.3104 -132.17 -30.3115 51.0457 GPRESSURE: 3194200 158.623 38.4342 -95.2644 234.74 -192.503 -37.4447 -93.0794 41.1326 24.0922 PRESSAVG: 3194200 52.7102 3.27325 2.91564 3.2732 -57.2113 -21.6493 2.91567 -21.6493 -10.0455 GPRESSAVG: 3194200 52.829 0.77529 3.10938 2.7182 -56.8371 -22.9973 1.89309 -20.4013 -10.2661 TIMING: 3194200 CPU: 10094, 0.0031441/step Wall: 10094, 0.0031441/step, 1.57711 hours remaining, 239.257812 MB of memory in use. ENERGY: 3194200 3959.7450 20540.9503 14366.6698 255.2836 -203676.1052 2753.9842 0.0000 0.0000 52134.8674 -109664.6050 299.6198 -161799.4723 -109298.1816 299.1552 -36.5893 -3.2627 759770.3645 -4.8489 -4.7581 PRESSURE: 3194400 344.156 41.3652 -24.6713 41.3645 122.709 -51.5609 -24.6715 -51.5612 194.639 GPRESSURE: 3194400 319.083 86.152 42.9475 106.785 277.2 -87.8707 -107.965 -147.863 176.639 PRESSAVG: 3194400 10.6356 6.71516 7.91591 6.71519 4.09713 -34.2099 7.91585 -34.2099 -7.69498 GPRESSAVG: 3194400 9.44511 8.04308 7.65836 7.39594 5.02696 -33.3175 10.2811 -34.2022 -7.07971 TIMING: 3194400 CPU: 10094.6, 0.00313773/step Wall: 10094.6, 0.00313773/step, 1.57375 hours remaining, 239.257812 MB of memory in use. ENERGY: 3194400 3922.1055 20567.6537 14300.0294 244.4390 -203730.9119 2798.1829 0.0000 0.0000 52242.2496 -109656.2517 300.2369 -161898.5013 -109292.3806 299.5105 220.5014 257.6407 759455.4973 2.3459 2.4641 PRESSURE: 3194600 -5.45193 50.4902 108.159 50.4901 80.0163 36.8916 108.159 36.891 -101.347 GPRESSURE: 3194600 47.2613 72.1528 38.8772 86.3346 38.2604 -13.8112 22.6774 -12.1028 -41.7397 PRESSAVG: 3194600 -20.6414 -19.2832 -24.524 -19.2832 4.67468 -6.00577 -24.5241 -6.00572 -10.3829 GPRESSAVG: 3194600 -18.3415 -19.0101 -24.2678 -19.4741 4.10835 -7.12943 -26.7928 -5.46403 -11.2679 TIMING: 3194600 CPU: 10095.2, 0.00313014/step Wall: 10095.2, 0.00313014/step, 1.56977 hours remaining, 239.257812 MB of memory in use. ENERGY: 3194600 3969.8472 20631.0314 14388.5352 239.6301 -203169.9832 2375.7908 0.0000 0.0000 52019.1866 -109545.9620 298.9550 -161565.1485 -109191.5354 299.2383 -8.9274 14.5940 760769.7596 -8.7832 -8.5003 PRESSURE: 3194800 -222.749 49.3953 -49.9643 49.3946 -284.724 -219.807 -49.9645 -219.808 -331.742 GPRESSURE: 3194800 -212.389 -6.49994 -23.5926 123.983 -313.258 -216.963 -70.5036 -185.999 -238.241 PRESSAVG: 3194800 23.5967 -67.4435 -21.5893 -67.4435 -32.7912 -29.9534 -21.5893 -29.9534 -3.43316 GPRESSAVG: 3194800 23.4914 -66.4045 -20.6692 -66.7354 -34.2155 -27.4429 -20.1053 -30.184 -1.89877 TIMING: 3194800 CPU: 10095.9, 0.00315037/step Wall: 10095.9, 0.00315037/step, 1.57974 hours remaining, 239.257812 MB of memory in use. ENERGY: 3194800 4019.4586 20580.2551 14388.9883 244.4355 -203557.6422 2464.9904 0.0000 0.0000 52238.9686 -109620.5457 300.2181 -161859.5144 -109260.7960 299.6839 -279.7384 -254.6293 761299.3261 -4.2092 -4.2076 PRESSURE: 3195000 1.89497 60.5677 180.7 60.5686 35.6472 45.3354 180.7 45.3367 60.7309 GPRESSURE: 3195000 49.3938 -7.62214 190.703 20.7493 93.0413 32.2968 96.6802 -25.6559 20.606 PRESSAVG: 3195000 86.0508 -59.9756 37.8077 -59.9756 -62.3565 2.98852 37.8076 2.98847 -8.5734 GPRESSAVG: 3195000 84.9756 -59.3461 37.0126 -61.7618 -61.2171 2.06642 37.535 2.08964 -8.85838 TIMING: 3195000 CPU: 10096.5, 0.00313649/step Wall: 10096.5, 0.00313649/step, 1.5726 hours remaining, 239.257812 MB of memory in use. ENERGY: 3195000 4046.3310 20556.6088 14436.3605 241.4916 -203441.9468 2575.7437 0.0000 0.0000 51898.9755 -109686.4357 298.2641 -161585.4112 -109336.5650 299.4247 32.7577 54.3470 759224.5455 5.0403 4.9667 PRESSURE: 3195200 -1.66538 151.381 -124.575 151.381 7.59318 79.4754 -124.577 79.4758 -176.691 GPRESSURE: 3195200 48.331 95.558 -166.606 155.818 33.3044 82.9967 26.9391 195.352 -178.409 PRESSAVG: 3195200 39.6736 -12.4974 30.228 -12.4974 -65.0468 33.851 30.2279 33.8511 -5.16596 GPRESSAVG: 3195200 40.3407 -14.0306 29.2468 -11.1623 -64.9518 34.7333 30.0484 35.0507 -6.08598 TIMING: 3195200 CPU: 10097.1, 0.00313958/step Wall: 10097.1, 0.00313957/step, 1.57397 hours remaining, 239.257812 MB of memory in use. ENERGY: 3195200 4075.9461 20360.9749 14375.6216 235.4278 -202921.9110 2401.0324 0.0000 0.0000 51950.3329 -109522.5753 298.5593 -161472.9082 -109157.2273 299.2664 -56.9210 -32.2577 761776.2366 -10.1797 -10.2324 PRESSURE: 3195400 -148.284 -84.8289 -73.6409 -84.8289 34.1366 -25.9659 -73.6415 -25.9655 137.825 GPRESSURE: 3195400 -112.246 -138.614 -138.433 -90.627 62.7686 -37.1337 -10.0945 15.3738 152.415 PRESSAVG: 3195400 27.5938 -69.8377 4.21685 -69.8377 -37.9658 -15.8803 4.21681 -15.8804 15.8955 GPRESSAVG: 3195400 28.5936 -69.1285 6.57073 -67.3865 -38.5183 -17.5947 2.61197 -15.2658 15.7366 TIMING: 3195400 CPU: 10097.8, 0.0031468/step Wall: 10097.8, 0.0031468/step, 1.57742 hours remaining, 239.257812 MB of memory in use. ENERGY: 3195400 3991.3202 20556.5698 14359.2824 263.0321 -203149.9051 2533.0406 0.0000 0.0000 51847.4825 -109599.1775 297.9682 -161446.6599 -109242.5523 298.8533 7.8924 34.3127 762411.5321 1.8412 1.9373 PRESSURE: 3195600 116.1 -70.292 33.4108 -70.2918 -75.8107 -107.888 33.4116 -107.888 175.518 GPRESSURE: 3195600 122.542 25.7835 41.9463 -214.956 -70.2606 -201.313 72.4575 -65.3419 226.767 PRESSAVG: 3195600 48.2648 -53.2691 34.7928 -53.2691 -45.029 -34.3049 34.7928 -34.3049 -21.373 GPRESSAVG: 3195600 46.6046 -52.9971 34.63 -57.6193 -44.4775 -33.9288 37.8921 -34.1599 -20.4261 TIMING: 3195600 CPU: 10098.4, 0.00314891/step Wall: 10098.4, 0.00314891/step, 1.5783 hours remaining, 239.257812 MB of memory in use. ENERGY: 3195600 3910.4157 20496.6581 14359.8158 226.5320 -203499.3912 2589.5244 0.0000 0.0000 52126.3163 -109790.1287 299.5707 -161916.4450 -109426.6644 298.6567 71.9355 93.0164 761379.1989 -6.0457 -6.0997 PRESSURE: 3195800 -166.582 -10.8858 168.101 -10.8846 -209.894 -241.288 168.101 -241.289 -88.6069 GPRESSURE: 3195800 -38.3796 -123.134 193.4 9.09807 -256.397 -209.198 260.178 -102.95 -69.9603 PRESSAVG: 3195800 61.0459 -38.6827 24.4443 -38.6827 -19.539 -7.7654 24.4443 -7.76553 -3.23816 GPRESSAVG: 3195800 63.1548 -39.1048 24.2009 -37.4632 -21.0873 -6.53438 23.3349 -8.05156 -3.73872 TIMING: 3195800 CPU: 10099, 0.00316286/step Wall: 10099, 0.00316286/step, 1.58512 hours remaining, 239.257812 MB of memory in use. ENERGY: 3195800 3953.3582 20352.7381 14375.5991 261.2458 -203336.1447 2663.9031 0.0000 0.0000 51786.2246 -109943.0756 297.6161 -161729.3003 -109580.1622 298.7482 -155.0277 -121.5789 761549.1223 12.7562 12.7762 PRESSURE: 3196000 127.136 42.732 -276.657 42.7333 -71.3661 62.1302 -276.658 62.1314 -135.181 GPRESSURE: 3196000 94.496 -56.2415 -324.658 84.5673 -5.36663 99.0764 -160.456 16.303 -94.0743 PRESSAVG: 3196000 -20.0658 -63.5117 -37.5508 -63.5117 -37.9559 1.31308 -37.5507 1.31304 -8.64008 GPRESSAVG: 3196000 -21.6872 -64.653 -37.6219 -63.7687 -37.9432 -0.80792 -37.9802 1.55992 -7.4357 TIMING: 3196000 CPU: 10099.7, 0.00316924/step Wall: 10099.7, 0.00316924/step, 1.58814 hours remaining, 239.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3196000 3997.4187 20390.8756 14395.2118 245.8841 -203378.8988 2612.2615 0.0000 0.0000 51850.2597 -109886.9874 297.9842 -161737.2471 -109524.6054 298.0277 -26.4704 -1.6483 761540.8977 -22.2206 -22.3554 PRESSURE: 3196200 233.211 -124.917 -75.7042 -124.916 480.777 305.75 -75.7049 305.75 -39.5703 GPRESSURE: 3196200 231.646 -137.326 -57.8238 -54.5383 540.053 329.277 -56.8447 177.172 -9.34703 PRESSAVG: 3196200 59.9248 -63.8105 -29.2997 -63.8105 -16.1237 5.70782 -29.2997 5.7078 -16.7064 GPRESSAVG: 3196200 59.0226 -64.1509 -30.1877 -61.7039 -14.4651 6.22604 -27.7459 5.9102 -17.5802 TIMING: 3196200 CPU: 10100.3, 0.00315239/step Wall: 10100.3, 0.00315239/step, 1.57953 hours remaining, 239.257812 MB of memory in use. ENERGY: 3196200 3962.7928 20325.0158 14361.8990 253.3893 -203698.9545 2751.6029 0.0000 0.0000 52036.9538 -110007.3007 299.0571 -162044.2546 -109645.5739 297.9720 224.8058 254.1174 762330.9804 9.0316 8.9924 LDB: ============= START OF LOAD BALANCING ============== 10112.7 LDB: ============== END OF LOAD BALANCING =============== 10112.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10112.7 LDB: ============= START OF LOAD BALANCING ============== 10113 LDB: Largest compute 7058 load 0.034407 is 17.5% of average load 0.196068 LDB: Average compute 0.004384 is 2.2% of average load 0.196068 LDB: TIME 10113 LOAD: AVG 0.196068 MAX 0.217711 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.289 MB LDB: TIME 10113 LOAD: AVG 0.196068 MAX 0.217711 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: TIME 10113 LOAD: AVG 0.196068 MAX 0.217711 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: ============== END OF LOAD BALANCING =============== 10113 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10113 PRESSURE: 3196400 -369.218 -211.632 -177.465 -211.632 -81.3614 -144.245 -177.465 -144.243 -38.95 GPRESSURE: 3196400 -347.337 -156.906 -190.542 -209.138 -65.4305 -107.814 -110.342 -45.6243 -2.72254 PRESSAVG: 3196400 8.98957 -90.3329 -31.3165 -90.333 -54.1707 11.3785 -31.3165 11.3785 5.64841 GPRESSAVG: 3196400 10.0945 -90.1484 -29.484 -92.259 -54.6913 11.162 -32.1915 11.8316 4.95812 TIMING: 3196400 CPU: 10100.9, 0.00320573/step Wall: 10100.9, 0.00320573/step, 1.60607 hours remaining, 239.375000 MB of memory in use. ENERGY: 3196400 3987.7379 20537.2127 14352.9864 246.3380 -203484.4407 2451.7551 0.0000 0.0000 52044.5698 -109863.8409 299.1009 -161908.4106 -109504.0204 298.4153 -163.1766 -138.4968 761835.4443 -13.1776 -13.2129 PRESSURE: 3196600 300.346 -176.035 -84.979 -176.034 -293.589 -23.2153 -84.9789 -23.216 79.106 GPRESSURE: 3196600 296.64 -88.9523 -92.1707 -140.876 -224.922 -43.7534 -170.166 64.4168 81.6641 PRESSAVG: 3196600 7.83242 -38.7838 -27.5821 -38.7838 -34.1675 77.7384 -27.5822 77.7384 10.9531 GPRESSAVG: 3196600 7.30719 -36.3581 -29.3118 -36.9578 -34.1723 77.2541 -27.1019 78.3999 11.2651 TIMING: 3196600 CPU: 10101.6, 0.0031479/step Wall: 10101.6, 0.0031479/step, 1.57692 hours remaining, 239.375000 MB of memory in use. ENERGY: 3196600 3938.1463 20495.6451 14428.3165 263.7830 -203379.0029 2470.8921 0.0000 0.0000 51846.8469 -109935.3729 297.9645 -161782.2199 -109571.7784 298.4250 28.6212 51.1275 762355.4623 -5.1273 -5.2000 PRESSURE: 3196800 -283.452 -3.42898 -150.193 -3.42866 -108.19 46.6327 -150.193 46.6336 -47.5313 GPRESSURE: 3196800 -344.471 29.3243 -157.252 110.02 55.286 19.1173 -148.872 150.218 -39.3511 PRESSAVG: 3196800 -5.6639 -40.6532 29.3352 -40.6532 37.8599 -22.8208 29.3352 -22.8208 0.0611272 GPRESSAVG: 3196800 -5.3096 -41.1869 28.1089 -42.5717 37.8685 -23.2421 28.0378 -20.2512 -0.123288 TIMING: 3196800 CPU: 10102.2, 0.00314696/step Wall: 10102.2, 0.00314696/step, 1.57628 hours remaining, 239.375000 MB of memory in use. ENERGY: 3196800 4005.5760 20587.3863 14345.2775 233.4140 -203491.1014 2662.2021 0.0000 0.0000 51740.6942 -109916.5512 297.3545 -161657.2454 -109557.3187 298.0963 -146.3912 -109.5119 760131.6299 10.7524 10.8119 PRESSURE: 3197000 89.2393 -19.4305 -1.21156 -19.4305 291.584 -25.7418 -1.2116 -25.7429 579.145 GPRESSURE: 3197000 208.847 -31.208 -65.5652 -44.0332 261.645 -27.3879 -36.3427 -72.7746 588.069 PRESSAVG: 3197000 34.9577 -46.4151 -19.0734 -46.4151 -3.99568 18.898 -19.0734 18.8981 0.992685 GPRESSAVG: 3197000 33.6681 -45.7231 -18.0075 -45.6972 -3.50175 20.1336 -17.7873 15.2625 2.2064 TIMING: 3197000 CPU: 10102.8, 0.00312384/step Wall: 10102.8, 0.00312384/step, 1.56453 hours remaining, 239.375000 MB of memory in use. ENERGY: 3197000 4007.9417 20454.0968 14376.3980 242.0518 -203425.5518 2728.1110 0.0000 0.0000 51847.7312 -109769.2214 297.9696 -161616.9525 -109413.5399 298.2765 319.9891 352.8538 759642.5392 10.6516 10.7909 PRESSURE: 3197200 -342.669 -62.6074 -315.013 -62.6076 -399.529 -89.0941 -315.012 -89.0947 -79.617 GPRESSURE: 3197200 -295.973 -66.1928 -339.525 -149.339 -346.131 -144.834 -210.256 -115.016 -102.407 PRESSAVG: 3197200 62.2268 -58.4995 7.87884 -58.4994 -41.3604 -40.1913 7.8788 -40.1912 -12.5328 GPRESSAVG: 3197200 64.5894 -59.4661 7.71825 -57.1085 -42.8754 -38.9274 6.30042 -43.1119 -13.3171 TIMING: 3197200 CPU: 10103.4, 0.00314753/step Wall: 10103.4, 0.00314753/step, 1.57621 hours remaining, 239.375000 MB of memory in use. ENERGY: 3197200 3990.7904 20605.0462 14354.3918 253.0515 -203098.5310 2237.1052 0.0000 0.0000 51887.0681 -109771.0778 298.1957 -161658.1459 -109406.0758 298.5531 -273.9381 -248.1707 761109.6478 2.7778 2.7990 PRESSURE: 3197400 -162.73 -152.913 230.944 -152.913 -155.913 -48.9703 230.943 -48.9693 144.676 GPRESSURE: 3197400 -135.698 -47.0022 215.983 -69.7558 -55.8177 -49.9014 216.604 -38.7933 102.079 PRESSAVG: 3197400 8.4473 -91.2116 -59.1889 -91.2116 15.5212 -47.725 -59.1889 -47.725 -6.381 GPRESSAVG: 3197400 5.8477 -92.0763 -57.5815 -90.0685 17.034 -47.6367 -60.1921 -45.9402 -5.40687 TIMING: 3197400 CPU: 10104.1, 0.00313056/step Wall: 10104.1, 0.00313056/step, 1.56754 hours remaining, 239.375000 MB of memory in use. ENERGY: 3197400 4045.3579 20477.7653 14358.1305 248.1315 -203436.2704 2559.2630 0.0000 0.0000 52096.2989 -109651.3234 299.3981 -161747.6223 -109294.1084 298.9227 -57.9888 -29.8123 759647.5594 5.8625 5.8250 PRESSURE: 3197600 1.19888 34.6364 -326.797 34.6353 -121.514 298.112 -326.798 298.11 95.9753 GPRESSURE: 3197600 -32.7806 -23.5354 -273.744 151.687 -21.5624 176.527 -190.884 122.757 113.762 PRESSAVG: 3197600 57.3873 -10.1889 27.2772 -10.1889 -36.1252 -6.77683 27.2772 -6.7769 0.786735 GPRESSAVG: 3197600 58.7946 -8.99983 27.525 -10.9661 -37.1759 -7.69269 29.8127 -6.91513 0.627091 TIMING: 3197600 CPU: 10104.7, 0.00312638/step Wall: 10104.7, 0.00312638/step, 1.56528 hours remaining, 239.375000 MB of memory in use. ENERGY: 3197600 4025.3604 20424.4790 14351.4377 245.6089 -203005.0524 2253.8434 0.0000 0.0000 52014.1013 -109690.2218 298.9258 -161704.3230 -109322.0193 299.1415 -8.1132 19.8064 759573.3473 7.3496 7.4153 PRESSURE: 3197800 42.172 168.305 141.714 168.306 106.552 -81.4323 141.714 -81.4318 72.7108 GPRESSURE: 3197800 132.437 106.077 107.615 209.257 14.9804 -154.335 -21.3267 -80.4268 165.518 PRESSAVG: 3197800 41.0282 -43.4699 6.69645 -43.4699 -11.7072 27.65 6.69651 27.65 19.8608 GPRESSAVG: 3197800 41.6101 -44.2403 4.8218 -44.5722 -12.1094 27.4252 7.86594 26.5984 19.6245 TIMING: 3197800 CPU: 10105.3, 0.00313232/step Wall: 10105.3, 0.00313232/step, 1.56807 hours remaining, 239.375000 MB of memory in use. ENERGY: 3197800 4027.7906 20436.9775 14329.5148 243.9756 -203505.7362 2794.2521 0.0000 0.0000 52132.9276 -109540.2980 299.6087 -161673.2256 -109194.1875 299.0069 73.8117 104.3121 760273.8946 16.3939 16.3751 PRESSURE: 3198000 -190.443 -181.365 -202.312 -181.366 -3.34486 -152.033 -202.311 -152.033 63.1823 GPRESSURE: 3198000 -115.673 -206.904 -199.967 -163.73 -42.5517 -162.144 -187.887 -118.965 105.832 PRESSAVG: 3198000 -15.0465 7.77929 15.5865 7.77938 -32.7428 37.706 15.5865 37.706 12.533 GPRESSAVG: 3198000 -14.0547 8.73953 16.1298 6.77076 -33.4932 36.9622 12.1712 38.8939 12.6096 TIMING: 3198000 CPU: 10105.9, 0.00314642/step Wall: 10105.9, 0.00314642/step, 1.57496 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3198000 3968.7159 20518.7014 14362.0125 249.6727 -203506.2982 2721.5662 0.0000 0.0000 52361.5703 -109324.0592 300.9227 -161685.6295 -108969.8206 300.1353 -43.5351 -17.4642 762061.7895 -11.7521 -11.6461 PRESSURE: 3198200 -129.432 6.82643 -232.297 6.82653 -298.43 71.3475 -232.297 71.3475 -25.3839 GPRESSURE: 3198200 -155.879 58.4603 -185.477 32.6226 -262.604 51.816 -248.869 138.414 45.9642 PRESSAVG: 3198200 23.6565 -20.6639 -5.65213 -20.6639 -27.2641 94.9773 -5.65212 94.9773 20.7047 GPRESSAVG: 3198200 23.0385 -22.3819 -6.22404 -19.8322 -25.9067 96.0288 -3.63939 95.9864 19.6164 TIMING: 3198200 CPU: 10106.6, 0.00314/step Wall: 10106.6, 0.00314/step, 1.57157 hours remaining, 239.375000 MB of memory in use. ENERGY: 3198200 4011.2775 20436.3580 14436.9483 259.5684 -202884.7041 2211.7793 0.0000 0.0000 52198.0826 -109330.6901 299.9831 -161528.7727 -108965.9163 299.7115 -151.0820 -124.1730 762262.8907 5.6990 5.5827 PRESSURE: 3198400 36.0954 214.413 27.7757 214.412 22.2211 97.2975 27.7754 97.2984 262.165 GPRESSURE: 3198400 82.6771 323.174 80.6202 325.488 79.2794 163.948 8.05173 227.116 246.71 PRESSAVG: 3198400 13.7873 6.92445 -16.0147 6.92444 -35.4784 -14.026 -16.0147 -14.0258 3.41821 GPRESSAVG: 3198400 13.5071 8.28896 -16.879 6.04966 -36.2516 -13.5578 -14.2588 -14.545 4.4502 TIMING: 3198400 CPU: 10107.2, 0.00314016/step Wall: 10107.2, 0.00314016/step, 1.57147 hours remaining, 239.375000 MB of memory in use. ENERGY: 3198400 3977.1376 20630.9519 14425.3787 252.3887 -203148.4009 2673.1702 0.0000 0.0000 51904.3820 -109284.9917 298.2952 -161189.3737 -108926.4529 299.7324 106.8272 136.2220 762197.5567 -6.0910 -6.0981 PRESSURE: 3198600 152.477 -18.3367 -209.072 -18.3365 366.086 211.182 -209.072 211.182 86.8372 GPRESSURE: 3198600 283.581 87.3954 -90.5272 -174.332 289.849 275.229 -199.53 145.138 120.92 PRESSAVG: 3198600 -14.3051 -48.1192 59.7585 -48.1192 42.9706 17.9252 59.7585 17.9252 4.03847 GPRESSAVG: 3198600 -13.677 -45.9654 62.3552 -50.1208 41.9286 18.8663 55.5271 16.2526 4.70885 TIMING: 3198600 CPU: 10107.8, 0.00313793/step Wall: 10107.8, 0.00313793/step, 1.57019 hours remaining, 239.375000 MB of memory in use. ENERGY: 3198600 3947.7972 20604.9390 14377.5207 254.6400 -203430.4052 2932.1254 0.0000 0.0000 52289.9068 -109023.4760 300.5108 -161313.3828 -108655.7983 300.1578 201.8000 231.4498 760863.3333 10.9013 10.9868 PRESSURE: 3198800 108.465 -74.2037 134.769 -74.2034 275.363 15.9115 134.769 15.9117 274.611 GPRESSURE: 3198800 142.175 -111.725 83.5259 86.8957 346.038 39.7023 120.364 2.55006 273.887 PRESSAVG: 3198800 31.3376 -26.1963 3.50104 -26.1963 -37.7911 71.1774 3.50098 71.1774 28.665 GPRESSAVG: 3198800 29.3357 -27.5155 2.18686 -22.6997 -35.938 71.3181 6.78786 70.2593 29.0225 TIMING: 3198800 CPU: 10108.5, 0.00313897/step Wall: 10108.5, 0.00313897/step, 1.57053 hours remaining, 239.375000 MB of memory in use. ENERGY: 3198800 3962.8836 20601.6211 14347.7115 253.5201 -203140.0427 2518.7396 0.0000 0.0000 52257.9689 -109197.5980 300.3273 -161455.5669 -108830.5232 299.7745 219.4796 254.0332 761803.1020 7.4038 7.4734 PRESSURE: 3199000 214.743 149.58 13.773 149.58 349.692 -124.395 13.7733 -124.396 -192.274 GPRESSURE: 3199000 273.504 68.1592 8.81178 177.305 291.091 -76.1894 16.8348 14.8097 -111.795 PRESSAVG: 3199000 9.35945 -8.4239 30.4412 -8.42385 -1.43144 -7.14519 30.4413 -7.14512 -5.39641 GPRESSAVG: 3199000 10.7487 -10.6962 31.6923 -9.9841 -1.65504 -8.17287 28.8765 -5.59577 -6.70148 TIMING: 3199000 CPU: 10109.1, 0.00314475/step Wall: 10109.1, 0.00314475/step, 1.57325 hours remaining, 239.375000 MB of memory in use. ENERGY: 3199000 4024.0869 20578.2872 14396.0233 252.7134 -203514.3847 2778.5220 0.0000 0.0000 52158.3020 -109326.4499 299.7545 -161484.7519 -108967.8810 299.2991 124.0533 150.9334 761593.2998 0.8439 0.7974 PRESSURE: 3199200 -147.51 -7.54598 -228.159 -7.54561 280.029 -121.782 -228.158 -121.782 -46.0324 GPRESSURE: 3199200 -134.826 -1.17053 -273.603 -74.7991 380.205 -156.853 -225.867 5.07077 -54.7142 PRESSAVG: 3199200 -26.1768 -58.2677 -34.9292 -58.2677 -1.90207 10.6814 -34.9293 10.6815 -6.12535 GPRESSAVG: 3199200 -26.9143 -58.6224 -35.1263 -57.6954 -0.466557 11.1623 -36.6289 11.8224 -6.4814 TIMING: 3199200 CPU: 10109.7, 0.00316286/step Wall: 10109.7, 0.00316286/step, 1.58213 hours remaining, 239.375000 MB of memory in use. ENERGY: 3199200 3985.9783 20518.8749 14413.5818 238.3210 -203374.1479 2715.7944 0.0000 0.0000 52289.8058 -109211.7918 300.5102 -161501.5976 -108846.5012 299.5323 28.8290 63.5547 761668.6555 -11.4014 -11.2874 PRESSURE: 3199400 10.009 -95.501 59.1067 -95.5008 333.257 -46.1129 59.1076 -46.1134 194.789 GPRESSURE: 3199400 147.502 -120.783 22.5484 -119.317 298.07 -72.8941 91.5687 -114.485 193.821 PRESSAVG: 3199400 -3.95211 -47.0694 -44.0912 -47.0693 -5.70907 -86.5749 -44.0912 -86.575 15.1331 GPRESSAVG: 3199400 -3.46747 -45.3603 -46.3247 -49.2536 -7.12409 -87.3183 -42.9232 -88.755 15.6179 TIMING: 3199400 CPU: 10110.3, 0.00314317/step Wall: 10110.3, 0.00314317/step, 1.57211 hours remaining, 239.375000 MB of memory in use. ENERGY: 3199400 3978.4850 20556.3956 14374.8386 231.8781 -203320.7455 2768.3217 0.0000 0.0000 51947.2367 -109463.5900 298.5415 -161410.8266 -109099.4149 299.3688 179.3515 213.1312 763123.1344 1.8240 1.6754 PRESSURE: 3199600 -208.734 -12.8356 28.2603 -12.8356 -315.515 -111.81 28.2607 -111.81 -355.637 GPRESSURE: 3199600 -120.394 33.4393 65.0672 -11.9722 -362.606 -149.54 71.0464 -60.8722 -292.246 PRESSAVG: 3199600 24.7515 -47.1492 27.8372 -47.1492 -8.06161 -57.3777 27.8373 -57.3777 8.64289 GPRESSAVG: 3199600 23.8914 -47.0005 29.2264 -45.2937 -6.98187 -57.2254 27.934 -56.9155 8.2804 TIMING: 3199600 CPU: 10111, 0.00313198/step Wall: 10111, 0.00313198/step, 1.56634 hours remaining, 239.375000 MB of memory in use. ENERGY: 3199600 4052.3758 20538.9623 14360.3527 248.7652 -203280.3497 2486.1388 0.0000 0.0000 51868.4778 -109725.2770 298.0889 -161593.7548 -109370.4254 298.3800 -293.2953 -258.4152 762025.4146 8.4443 8.3966 PRESSURE: 3199800 -324.415 13.4149 207.936 13.413 -175.063 5.74772 207.935 5.74895 -201.029 GPRESSURE: 3199800 -267.921 127.093 142.164 89.1379 -180.208 -8.98094 157.987 119.937 -145.542 PRESSAVG: 3199800 -19.217 -26.2398 -20.0687 -26.2398 11.2679 -50.3805 -20.0687 -50.3805 -0.50783 GPRESSAVG: 3199800 -18.5334 -28.109 -20.3043 -23.822 9.9226 -49.6519 -18.6169 -50.2465 0.466572 TIMING: 3199800 CPU: 10111.6, 0.00312414/step Wall: 10111.6, 0.00312414/step, 1.56224 hours remaining, 239.375000 MB of memory in use. ENERGY: 3199800 3964.2263 20615.1831 14305.7623 245.2327 -203302.4311 2525.3736 0.0000 0.0000 51973.3683 -109673.2849 298.6917 -161646.6532 -109314.0983 298.4917 -233.5022 -197.8904 762641.9660 -2.8190 -2.7147 PRESSURE: 3200000 29.798 -38.4988 68.9044 -38.4994 405.343 -71.9846 68.9035 -71.985 140.15 GPRESSURE: 3200000 80.6212 -88.8578 105.697 1.19818 355.778 -16.9807 30.7768 -239.565 231.225 PRESSAVG: 3200000 50.6621 -29.6237 16.7817 -29.6237 -64.9364 -24.9966 16.7816 -24.9967 14.3943 GPRESSAVG: 3200000 50.7398 -29.9756 17.9778 -29.9864 -64.9703 -23.8692 15.9979 -25.8314 14.334 TIMING: 3200000 CPU: 10112.2, 0.00316013/step Wall: 10112.2, 0.00316013/step, 1.58006 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3200000 4041.6964 20602.0750 14410.5337 245.6827 -203733.3290 2917.2882 0.0000 0.0000 51975.0685 -109540.9845 298.7014 -161516.0531 -109166.1808 299.1132 191.7639 222.5414 759763.4946 0.0400 0.0345 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3200200 53.2572 -108.852 -68.2725 -108.851 -54.8709 -62.4866 -68.2725 -62.4866 249.731 GPRESSURE: 3200200 100.675 5.47742 -175.337 -203.3 0.249023 -41.5252 -130.609 -158.752 232.394 PRESSAVG: 3200200 16.6593 27.6807 -22.3074 27.6807 28.6822 0.387576 -22.3074 0.387552 8.41225 GPRESSAVG: 3200200 17.4399 28.061 -23.2388 27.7109 28.648 -0.214525 -22.8823 2.94088 7.73913 TIMING: 3200200 CPU: 10112.9, 0.0032469/step Wall: 10112.9, 0.0032469/step, 1.62327 hours remaining, 239.500000 MB of memory in use. ENERGY: 3200200 4009.7566 20542.8160 14333.6558 243.4895 -203449.4060 2693.6666 0.0000 0.0000 52070.4662 -109555.5554 299.2497 -161626.0216 -109185.2239 299.6890 82.7057 111.1059 760128.9458 17.9179 17.9423 LDB: ============= START OF LOAD BALANCING ============== 10125.3 LDB: ============== END OF LOAD BALANCING =============== 10125.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10125.3 LDB: ============= START OF LOAD BALANCING ============== 10125.6 LDB: Largest compute 7057 load 0.032709 is 16.7% of average load 0.196113 LDB: Average compute 0.004381 is 2.2% of average load 0.196113 LDB: TIME 10125.6 LOAD: AVG 0.196113 MAX 0.218703 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 10125.6 LOAD: AVG 0.196113 MAX 0.218703 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: TIME 10125.6 LOAD: AVG 0.196113 MAX 0.218703 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: ============== END OF LOAD BALANCING =============== 10125.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10125.6 PRESSURE: 3200400 55.1739 -183.325 85.5862 -183.326 -93.0135 -38.313 85.5862 -38.3128 -37.8226 GPRESSURE: 3200400 38.8604 -196.36 -17.3896 -44.8243 -51.9068 -73.2403 170.207 -40.2541 20.8699 PRESSAVG: 3200400 32.4851 3.95626 30.2238 3.95627 9.36147 -50.3637 30.2238 -50.3637 -17.6944 GPRESSAVG: 3200400 31.2496 5.41709 30.3468 2.83617 9.87725 -52.4789 31.5911 -52.9184 -17.3386 TIMING: 3200400 CPU: 10113.5, 0.0032115/step Wall: 10113.5, 0.0032115/step, 1.60539 hours remaining, 238.343750 MB of memory in use. ENERGY: 3200400 4052.2173 20713.1444 14358.2419 257.4652 -202872.8440 2060.2163 0.0000 0.0000 51979.5142 -109452.0447 298.7270 -161431.5589 -109088.5605 299.3583 -25.2207 2.6078 760272.5371 8.0507 7.9294 PRESSURE: 3200600 -19.0994 -91.398 -23.0717 -91.3976 -224.384 -230.893 -23.0723 -230.892 -335.955 GPRESSURE: 3200600 38.2981 -134.008 -129.773 -33.7518 -200.873 -268.197 -8.53787 -65.8032 -333.108 PRESSAVG: 3200600 72.0034 -45.2104 18.3466 -45.2105 -5.66459 1.52802 18.3466 1.52804 15.5438 GPRESSAVG: 3200600 71.9972 -45.7558 19.1786 -45.7325 -5.44928 2.92281 17.7675 4.98151 15.1328 TIMING: 3200600 CPU: 10114.2, 0.00314783/step Wall: 10114.2, 0.00314783/step, 1.57339 hours remaining, 238.343750 MB of memory in use. ENERGY: 3200600 4027.0855 20604.6598 14366.5760 241.3729 -203191.5921 2567.3575 0.0000 0.0000 52017.2624 -109367.2781 298.9439 -161384.5405 -109007.4794 299.4209 -193.1464 -165.2277 760996.6870 27.2942 27.2269 PRESSURE: 3200800 136.595 60.7694 48.2747 60.7695 119.588 40.4724 48.2748 40.4725 122.654 GPRESSURE: 3200800 145.709 -63.4923 34.9671 152.913 158.439 -2.89711 -76.1102 167.645 165.667 PRESSAVG: 3200800 17.0012 -56.4545 -0.449033 -56.4544 -31.0253 -31.0664 -0.449033 -31.0665 18.4321 GPRESSAVG: 3200800 18.5256 -55.4929 -0.953823 -55.6757 -31.7522 -31.4383 -1.13891 -32.6744 17.5562 TIMING: 3200800 CPU: 10114.8, 0.00313898/step Wall: 10114.8, 0.00313898/step, 1.56879 hours remaining, 238.343750 MB of memory in use. ENERGY: 3200800 3943.4541 20577.7342 14403.2362 268.5825 -203179.0906 2504.8129 0.0000 0.0000 51876.4391 -109604.8314 298.1346 -161481.2706 -109256.2148 299.2999 126.2789 156.6047 761547.1322 1.4693 1.4432 PRESSURE: 3201000 -306.654 29.5775 142.954 29.5776 -481.907 173.861 142.955 173.86 -31.6993 GPRESSURE: 3201000 -130.402 -43.4069 112.319 34.9467 -574.873 200.634 3.80069 154.835 -18.8403 PRESSAVG: 3201000 5.72778 -49.4296 9.97515 -49.4296 12.5047 10.9012 9.9752 10.9012 0.325112 GPRESSAVG: 3201000 4.627 -50.6566 9.92923 -51.8522 13.4685 11.2751 11.3245 10.2443 0.27151 TIMING: 3201000 CPU: 10115.4, 0.00315843/step Wall: 10115.4, 0.00315843/step, 1.57834 hours remaining, 238.343750 MB of memory in use. ENERGY: 3201000 4062.0566 20410.6331 14485.4630 262.5895 -203453.5222 2606.3716 0.0000 0.0000 52149.3461 -109477.0623 299.7030 -161626.4084 -109101.4900 299.1495 -273.4199 -241.3720 761523.7158 6.1859 6.1223 PRESSURE: 3201200 118.526 -12.2692 -146.608 -12.2689 243.466 151.288 -146.609 151.288 -142.672 GPRESSURE: 3201200 134.925 -56.9807 -133.123 -11.5515 237.685 189.164 4.58531 149.054 -90.0101 PRESSAVG: 3201200 16.1734 -41.1579 18.8317 -41.1579 -65.1598 -36.0845 18.8318 -36.0845 -8.65581 GPRESSAVG: 3201200 15.7315 -39.6115 17.8433 -41.2399 -65.3581 -35.9632 18.3684 -35.8698 -7.66728 TIMING: 3201200 CPU: 10116, 0.00315905/step Wall: 10116, 0.00315905/step, 1.57847 hours remaining, 238.343750 MB of memory in use. ENERGY: 3201200 3982.0324 20498.1064 14423.5998 236.0736 -203431.7552 2687.5468 0.0000 0.0000 52182.5460 -109421.8503 299.8938 -161604.3963 -109050.2437 299.5228 73.1068 94.1999 760716.0646 -19.2141 -19.0980 PRESSURE: 3201400 -365.961 113.056 55.9542 113.055 -253.493 -23.3179 55.9545 -23.3176 -194.185 GPRESSURE: 3201400 -323.908 12.6933 23.3213 76.7826 -201.766 -3.85763 74.7264 89.9987 -190.542 PRESSAVG: 3201400 -9.34303 -47.6804 16.3986 -47.6805 -41.0787 2.87951 16.3986 2.87942 4.45572 GPRESSAVG: 3201400 -9.77395 -48.4914 16.5641 -46.1824 -41.6954 2.98656 15.7343 4.78502 5.47114 TIMING: 3201400 CPU: 10116.7, 0.00315932/step Wall: 10116.7, 0.00315932/step, 1.57843 hours remaining, 238.343750 MB of memory in use. ENERGY: 3201400 4005.0904 20596.7370 14316.5879 273.9568 -202600.6851 2038.6161 0.0000 0.0000 51732.0130 -109637.6839 297.3046 -161369.6969 -109283.2348 299.0104 -271.2130 -238.7389 763737.8084 -15.3220 -15.3327 PRESSURE: 3201600 77.1155 -190.845 24.4648 -190.845 23.9871 113.275 24.4655 113.276 -555.452 GPRESSURE: 3201600 46.264 -208.902 52.3533 -174.696 80.2416 45.2777 100.741 49.9264 -489.437 PRESSAVG: 3201600 -15.156 -20.9229 36.3878 -20.9228 42.406 48.4019 36.3878 48.4018 2.90131 GPRESSAVG: 3201600 -13.9871 -21.5555 37.4685 -20.56 41.4537 48.1496 34.8067 47.8405 2.46328 TIMING: 3201600 CPU: 10117.3, 0.00314883/step Wall: 10117.3, 0.00314883/step, 1.57302 hours remaining, 238.343750 MB of memory in use. ENERGY: 3201600 3924.7420 20688.5549 14367.4555 232.8275 -203324.9456 2478.5298 0.0000 0.0000 52005.4524 -109627.3835 298.8760 -161632.8359 -109254.1696 298.6489 -151.4497 -120.9770 762136.0027 10.0505 9.9766 PRESSURE: 3201800 150.504 -55.6132 -33.4656 -55.6135 -159.287 -25.5278 -33.4658 -25.5284 289.59 GPRESSURE: 3201800 153.155 -162.095 -80.6752 -14.6324 -40.8343 16.6231 -32.1982 66.4262 276.476 PRESSAVG: 3201800 42.102 -20.2087 -3.58835 -20.2087 -19.2215 20.7464 -3.58829 20.7465 -6.86 GPRESSAVG: 3201800 40.7826 -19.0056 -4.64477 -19.5296 -17.1757 19.6314 -1.50638 19.7397 -7.26507 TIMING: 3201800 CPU: 10117.9, 0.00314541/step Wall: 10117.9, 0.00314541/step, 1.57113 hours remaining, 238.343750 MB of memory in use. ENERGY: 3201800 3990.6957 20670.2517 14374.2023 234.0484 -203563.6651 2741.7555 0.0000 0.0000 52012.5645 -109540.1470 298.9169 -161552.7115 -109184.1860 299.5733 93.6021 129.5988 761076.3854 5.3402 5.4473 PRESSURE: 3202000 -289.731 215.175 50.1116 215.175 78.1306 100.041 50.1116 100.041 -174.893 GPRESSURE: 3202000 -269.03 118.533 7.26354 210.567 133.012 130.571 116.767 0.205871 -161.182 PRESSAVG: 3202000 13.8665 32.6619 -21.1835 32.6619 -0.834655 -40.7622 -21.1836 -40.7622 -8.44553 GPRESSAVG: 3202000 15.2316 29.7399 -22.7078 31.3297 -1.09615 -39.1151 -20.3995 -41.14 -9.07907 TIMING: 3202000 CPU: 10118.6, 0.00316118/step Wall: 10118.6, 0.00316117/step, 1.57883 hours remaining, 238.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3202000 4010.3062 20405.6207 14484.9883 244.5377 -203292.3108 2462.7882 0.0000 0.0000 52070.1284 -109613.9413 299.2477 -161684.0697 -109246.1416 298.8288 -128.8312 -99.0665 762132.6847 1.5288 1.6855 PRESSURE: 3202200 -367.116 175.21 -161.192 175.211 -44.4269 -54.6243 -161.192 -54.6243 -129.018 GPRESSURE: 3202200 -347.822 198.008 -137.459 70.7702 -9.25031 -14.3984 -123.346 -210.779 -103.7 PRESSAVG: 3202200 -41.1118 33.0629 8.58963 33.0629 17.2233 -17.5421 8.58956 -17.542 8.10452 GPRESSAVG: 3202200 -41.2814 34.9624 10.2378 34.2249 15.6053 -17.0236 6.62326 -16.2926 9.48553 TIMING: 3202200 CPU: 10119.2, 0.0031641/step Wall: 10119.2, 0.0031641/step, 1.58012 hours remaining, 238.343750 MB of memory in use. ENERGY: 3202200 3923.2556 20630.7815 14371.7165 261.5873 -203266.4003 2411.5539 0.0000 0.0000 51998.8716 -109668.6339 298.8382 -161667.5055 -109305.5705 298.9957 -180.1869 -153.5908 760878.1924 -5.2614 -5.3969 PRESSURE: 3202400 0.755966 -136.168 -228.132 -136.168 -90.9564 -212.283 -228.131 -212.282 -6.01703 GPRESSURE: 3202400 93.6107 -126.645 -161.563 -276.614 -94.809 -286.621 -224.018 -84.0186 -13.3122 PRESSAVG: 3202400 -12.8845 24.9321 14.7478 24.9321 -11.0136 -39.8736 14.7479 -39.8736 -1.48738 GPRESSAVG: 3202400 -13.7608 23.0083 14.3415 25.1829 -10.0921 -40.71 15.0374 -38.4227 -1.29668 TIMING: 3202400 CPU: 10119.8, 0.00315106/step Wall: 10119.8, 0.00315106/step, 1.57343 hours remaining, 238.343750 MB of memory in use. ENERGY: 3202400 3991.6849 20432.3368 14394.0921 248.5487 -203415.6569 2739.5270 0.0000 0.0000 52065.5992 -109543.8683 299.2217 -161609.4675 -109182.8564 298.5824 -32.0725 -4.8368 762262.2502 -8.4618 -8.3832 PRESSURE: 3202600 -181.853 -167.076 3.2246 -167.076 -212.186 -54.9845 3.22445 -54.9842 -161.794 GPRESSURE: 3202600 -130.049 -71.5325 -130.035 -85.5047 -171.295 -62.862 69.3658 11.0036 -160.577 PRESSAVG: 3202600 18.6791 -76.179 28.8022 -76.179 -10.3928 -19.9906 28.8022 -19.9906 2.95102 GPRESSAVG: 3202600 18.51 -75.334 29.7137 -75.1178 -10.5846 -20.537 28.3316 -21.6788 2.84858 TIMING: 3202600 CPU: 10120.5, 0.00314642/step Wall: 10120.5, 0.00314642/step, 1.57094 hours remaining, 238.343750 MB of memory in use. ENERGY: 3202600 3983.5678 20564.8140 14423.4337 228.6261 -203235.6792 2304.5727 0.0000 0.0000 51947.2860 -109783.3789 298.5418 -161730.6650 -109418.2352 298.2809 -185.2777 -153.9735 762346.4331 3.7458 3.5913 PRESSURE: 3202800 261.299 126.302 -38.9121 126.303 -210.559 153.799 -38.9116 153.8 32.3686 GPRESSURE: 3202800 356.447 -27.7517 -2.98497 59.7905 -204.594 56.8118 8.95205 69.6662 -20.6047 PRESSAVG: 3202800 -2.23357 -61.5919 -19.3294 -61.592 -19.0729 0.0913212 -19.3294 0.0913084 12.7184 GPRESSAVG: 3202800 -2.39846 -61.4271 -19.1821 -60.6476 -18.5203 0.498982 -18.0311 -1.38495 12.265 TIMING: 3202800 CPU: 10121.1, 0.00316664/step Wall: 10121.1, 0.00316664/step, 1.58086 hours remaining, 238.343750 MB of memory in use. ENERGY: 3202800 3943.7700 20436.9180 14402.5881 263.5851 -203091.2937 2372.7617 0.0000 0.0000 51833.5664 -109838.1045 297.8882 -161671.6709 -109471.0364 298.0757 27.7030 43.7495 761404.0251 -2.8627 -2.8846 PRESSURE: 3203000 -143.2 -212.658 21.0696 -212.659 41.3422 -100.225 21.0697 -100.225 -103.873 GPRESSURE: 3203000 -24.2129 -168.071 19.6561 -111.392 17.3998 -33.124 107.684 -89.6205 -114.302 PRESSAVG: 3203000 8.94448 -24.701 48.3358 -24.701 11.0708 -10.4984 48.3358 -10.4984 -15.602 GPRESSAVG: 3203000 9.45345 -26.0664 47.804 -25.0039 10.0377 -9.95141 47.2824 -8.65425 -14.435 TIMING: 3203000 CPU: 10121.7, 0.00316022/step Wall: 10121.7, 0.00316022/step, 1.57748 hours remaining, 238.343750 MB of memory in use. ENERGY: 3203000 3978.6522 20529.4386 14371.3586 255.0962 -203485.6611 2626.7172 0.0000 0.0000 52161.5784 -109562.8199 299.7733 -161724.3982 -109192.3335 298.8148 -68.5771 -40.3717 761895.5605 1.4711 1.6854 PRESSURE: 3203200 -22.5636 24.931 -110.92 24.9309 195.059 143.053 -110.92 143.054 89.8789 GPRESSURE: 3203200 -43.5406 124.902 -124.656 -19.7448 244.133 96.9118 -63.9935 278.066 141.768 PRESSAVG: 3203200 -46.0475 -13.8741 1.45692 -13.8741 21.9436 -3.52376 1.45686 -3.52375 19.3158 GPRESSAVG: 3203200 -46.1561 -13.2633 0.569237 -14.0083 23.3167 -3.04383 3.77482 -2.98267 18.2945 TIMING: 3203200 CPU: 10122.4, 0.00313277/step Wall: 10122.4, 0.00313277/step, 1.5636 hours remaining, 238.343750 MB of memory in use. ENERGY: 3203200 3876.1712 20604.4742 14389.9173 251.8099 -203367.7668 2712.6037 0.0000 0.0000 52139.9452 -109392.8452 299.6490 -161532.7905 -109030.5640 299.0436 87.4582 114.1202 760979.4812 -1.5960 -1.5149 PRESSURE: 3203400 -213.089 -183.207 -534.653 -183.206 -300.616 7.61047 -534.653 7.61072 -455.433 GPRESSURE: 3203400 -192.547 -136.332 -566.847 -120.943 -251.267 26.8493 -422.122 -87.6536 -412.663 PRESSAVG: 3203400 -89.1108 -53.6809 -12.4939 -53.6809 49.5397 12.9389 -12.4939 12.9389 13.727 GPRESSAVG: 3203400 -88.5705 -51.9007 -12.5647 -53.9989 49.2549 12.1941 -11.2008 11.8089 13.3275 TIMING: 3203400 CPU: 10123, 0.00316626/step Wall: 10123, 0.00316626/step, 1.58014 hours remaining, 238.343750 MB of memory in use. ENERGY: 3203400 3988.6127 20586.8939 14313.6627 227.2744 -203036.7413 2276.5634 0.0000 0.0000 52147.5502 -109496.1840 299.6927 -161643.7342 -109145.1997 299.2149 -323.0456 -285.4922 763609.3889 -8.6147 -8.6627 PRESSURE: 3203600 -34.6241 164.863 -107.697 164.862 -50.8674 207.323 -107.698 207.321 -198.113 GPRESSURE: 3203600 -37.2098 138.103 -135.469 60.6045 38.6693 173.004 -255.628 268.463 -200.804 PRESSAVG: 3203600 19.5399 -10.7391 -26.0459 -10.7391 -22.9426 -12.372 -26.0458 -12.3719 19.3917 GPRESSAVG: 3203600 18.3013 -12.3556 -26.6214 -11.2856 -23.0036 -11.5435 -28.1924 -12.2254 20.6156 TIMING: 3203600 CPU: 10123.6, 0.0031664/step Wall: 10123.6, 0.0031664/step, 1.58003 hours remaining, 238.343750 MB of memory in use. ENERGY: 3203600 3969.0931 20587.4997 14325.6942 263.2498 -203351.6060 2579.8261 0.0000 0.0000 52175.6209 -109450.6222 299.8540 -161626.2431 -109088.5499 299.4575 -94.5347 -66.4480 760918.7970 5.3296 5.3044 PRESSURE: 3203800 38.9339 -3.48629 -66.1035 -3.4866 312.01 94.0017 -66.103 94.0027 122.826 GPRESSURE: 3203800 56.2471 -44.1827 -110.402 -61.3117 419.249 41.9329 -61.3473 77.0253 69.7254 PRESSAVG: 3203800 -53.8024 10.196 -12.6094 10.196 40.1878 13.4421 -12.6094 13.4421 -3.21159 GPRESSAVG: 3203800 -54.2344 12.4898 -11.9 11.4075 41.4776 10.4676 -12.0904 13.7888 -3.75805 TIMING: 3203800 CPU: 10124.2, 0.00315028/step Wall: 10124.2, 0.00315029/step, 1.57182 hours remaining, 238.343750 MB of memory in use. ENERGY: 3203800 3886.4192 20558.9705 14371.0537 270.2949 -203099.2013 2666.6433 0.0000 0.0000 52114.8282 -109230.9913 299.5046 -161345.8196 -108865.7302 299.3754 157.9235 181.7405 762157.2660 -5.6087 -5.5049 PRESSURE: 3204000 0.317381 -36.4865 -34.1816 -36.4873 -318.616 -346.098 -34.1833 -346.096 -246.612 GPRESSURE: 3204000 -6.94139 -108.607 -45.9736 -31.3099 -171.819 -383.026 -17.9315 -356.893 -290.752 PRESSAVG: 3204000 20.9632 -30.9268 -12.6128 -30.9268 -2.44917 12.467 -12.6128 12.467 20.2718 GPRESSAVG: 3204000 21.7705 -30.798 -12.1513 -32.18 -2.64225 14.1369 -12.7907 13.2513 20.0505 TIMING: 3204000 CPU: 10124.9, 0.00313656/step Wall: 10124.9, 0.00313656/step, 1.56479 hours remaining, 238.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3204000 3994.0893 20443.3094 14364.0816 234.5621 -203424.8546 2695.0150 0.0000 0.0000 52334.2671 -109359.5301 300.7658 -161693.7972 -108985.9654 299.7358 -188.3035 -156.5042 762089.6336 12.9286 13.0596 PRESSURE: 3204200 -100.525 -41.8196 8.34604 -41.8203 -70.6667 -113.091 8.34629 -113.09 -247.71 GPRESSURE: 3204200 -8.3954 -145.811 -33.2198 -21.1877 -167.547 -148.971 2.67581 -108.183 -152.617 PRESSAVG: 3204200 12.2119 -51.4917 -55.1774 -51.4916 -26.3139 9.56027 -55.1775 9.56028 -14.8067 GPRESSAVG: 3204200 12.8397 -51.8237 -55.3858 -52.2774 -27.1447 9.13866 -56.3261 8.82175 -14.1524 TIMING: 3204200 CPU: 10125.5, 0.00316955/step Wall: 10125.5, 0.00316955/step, 1.58108 hours remaining, 238.343750 MB of memory in use. ENERGY: 3204200 4040.1825 20415.0963 14419.7206 250.4307 -202817.4777 2295.2153 0.0000 0.0000 51982.5214 -109414.3109 298.7443 -161396.8323 -109052.0596 299.3365 -139.6339 -109.5200 763796.4359 -9.6362 -9.4858 LDB: ============= START OF LOAD BALANCING ============== 10137.9 LDB: ============== END OF LOAD BALANCING =============== 10137.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10137.9 LDB: ============= START OF LOAD BALANCING ============== 10138.2 LDB: Largest compute 7058 load 0.032616 is 16.6% of average load 0.196144 LDB: Average compute 0.004367 is 2.2% of average load 0.196144 LDB: TIME 10138.2 LOAD: AVG 0.196144 MAX 0.219878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.348 MB LDB: TIME 10138.2 LOAD: AVG 0.196144 MAX 0.219878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.551 MB LDB: TIME 10138.2 LOAD: AVG 0.196144 MAX 0.214823 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.551 MB LDB: ============== END OF LOAD BALANCING =============== 10138.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10138.2 PRESSURE: 3204400 -156.656 116.414 -281.909 116.413 -342.085 -134.581 -281.909 -134.582 -188.657 GPRESSURE: 3204400 -137.247 20.4562 -235.872 -13.5001 -291.234 -127.483 -217.678 -96.7743 -171.01 PRESSAVG: 3204400 -11.0061 -36.0139 21.7178 -36.0139 -12.4046 5.80623 21.7178 5.80616 8.28567 GPRESSAVG: 3204400 -11.7155 -34.8604 23.0402 -37.2411 -12.4221 6.58551 22.4679 7.05681 9.24512 TIMING: 3204400 CPU: 10126.2, 0.00325467/step Wall: 10126.2, 0.00325467/step, 1.62336 hours remaining, 239.125000 MB of memory in use. ENERGY: 3204400 4002.1481 20546.1881 14378.0793 230.3412 -203308.4465 2567.2641 0.0000 0.0000 52203.3952 -109381.0305 300.0136 -161584.4257 -109017.3865 299.5288 -229.1325 -199.8304 762966.7835 -5.0417 -4.9642 PRESSURE: 3204600 -98.9256 -7.54294 -78.9585 -7.54253 -202.328 194.215 -78.9575 194.214 -455.694 GPRESSURE: 3204600 -26.5387 79.5685 -69.1777 10.1202 -155.859 177.363 -164.485 226.725 -485.326 PRESSAVG: 3204600 5.10706 -71.4917 -14.6479 -71.4917 7.72129 29.2731 -14.6479 29.2731 -5.65177 GPRESSAVG: 3204600 5.69316 -72.9148 -14.1713 -69.0804 8.10129 29.2569 -15.0174 25.0865 -6.59217 TIMING: 3204600 CPU: 10126.8, 0.00316333/step Wall: 10126.8, 0.00316333/step, 1.57762 hours remaining, 239.125000 MB of memory in use. ENERGY: 3204600 4000.5162 20651.8550 14386.2473 266.0175 -203411.8208 2709.8678 0.0000 0.0000 51865.9965 -109531.3206 298.0746 -161397.3170 -109184.8087 299.7255 -252.3158 -222.5747 761865.2280 2.3922 2.4008 PRESSURE: 3204800 -168.066 -182.591 -138.881 -182.59 -62.2265 25.9582 -138.881 25.9598 211.241 GPRESSURE: 3204800 -113.726 -113.524 -271.607 -173.459 76.3743 -24.7152 -19.327 32.9518 77.4692 PRESSAVG: 3204800 7.48337 -38.1756 2.45193 -38.1756 -8.38764 -14.7486 2.45188 -14.7487 5.96244 GPRESSAVG: 3204800 7.74682 -37.4281 0.898478 -39.532 -8.17497 -14.0718 3.93653 -10.993 5.4333 TIMING: 3204800 CPU: 10127.4, 0.0031531/step Wall: 10127.4, 0.0031531/step, 1.57235 hours remaining, 239.125000 MB of memory in use. ENERGY: 3204800 4010.7948 20616.4215 14349.7516 248.5216 -203774.8052 2679.5432 0.0000 0.0000 51988.2550 -109881.5175 298.7772 -161869.7725 -109523.1015 298.8491 -6.3507 13.3725 761419.3491 1.6861 1.6684 PRESSURE: 3205000 467.612 99.137 89.2057 99.1369 177.199 -161.155 89.205 -161.156 368.5 GPRESSURE: 3205000 420.252 -5.17483 168.683 27.9645 283.69 -191.376 97.0393 -164.334 371.805 PRESSAVG: 3205000 15.1725 -60.9905 -41.1237 -60.9904 -24.994 -28.4445 -41.1236 -28.4446 8.56774 GPRESSAVG: 3205000 14.437 -62.2831 -39.5025 -60.553 -24.4422 -30.6611 -41.0261 -27.884 9.03956 TIMING: 3205000 CPU: 10128.1, 0.00317821/step Wall: 10128.1, 0.00317821/step, 1.58469 hours remaining, 239.125000 MB of memory in use. ENERGY: 3205000 4025.5850 20474.0319 14472.6420 243.6017 -203782.8129 2819.9591 0.0000 0.0000 52069.6396 -109677.3535 299.2449 -161746.9931 -109312.1183 298.9381 337.7703 358.5823 759405.2777 -0.4179 -0.3219 PRESSURE: 3205200 -140.158 7.47249 154.378 7.47222 145.797 278.614 154.379 278.614 766.337 GPRESSURE: 3205200 -87.401 6.02354 107.886 41.8433 244.416 193.532 152.792 219.093 706.142 PRESSAVG: 3205200 64.1679 -10.4476 -43.6836 -10.4476 -5.51051 36.8913 -43.6836 36.8912 10.1768 GPRESSAVG: 3205200 64.1605 -11.9772 -43.7235 -8.32131 -5.5564 38.8715 -45.1741 33.9649 10.3715 TIMING: 3205200 CPU: 10128.7, 0.00317758/step Wall: 10128.7, 0.00317758/step, 1.5842 hours remaining, 239.125000 MB of memory in use. ENERGY: 3205200 3942.1158 20614.3130 14432.8064 270.0222 -203477.7271 2555.9037 0.0000 0.0000 52007.3651 -109655.2009 298.8870 -161662.5660 -109300.1356 299.3213 257.3253 287.7190 758243.4705 22.9447 22.9919 PRESSURE: 3205400 -118.234 -107.936 -97.309 -107.936 -76.2162 84.9478 -97.3087 84.9495 -306.806 GPRESSURE: 3205400 -121.724 52.3273 -157.397 -131.903 -15.3162 192.381 -90.6329 158.289 -269.913 PRESSAVG: 3205400 55.4049 -73.0909 -8.27427 -73.0909 -5.06548 -18.7167 -8.27431 -18.7167 -17.7998 GPRESSAVG: 3205400 56.4178 -69.6502 -9.73709 -75.8112 -5.8534 -19.1921 -8.33148 -17.0542 -18.4773 TIMING: 3205400 CPU: 10129.3, 0.00316747/step Wall: 10129.3, 0.00316747/step, 1.57899 hours remaining, 239.125000 MB of memory in use. ENERGY: 3205400 3921.8518 20511.0092 14393.7976 245.5492 -203416.8177 2459.0237 0.0000 0.0000 52002.1619 -109883.4244 298.8571 -161885.5862 -109513.5175 299.0254 -167.0852 -135.6513 761367.2551 10.8466 10.6957 PRESSURE: 3205600 93.6819 23.0857 -180.841 23.0853 180.881 102.997 -180.842 103 -335.982 GPRESSURE: 3205600 209.042 18.6325 -84.7849 5.30382 97.6276 85.0718 -56.155 39.9796 -285.533 PRESSAVG: 3205600 2.65894 -67.2807 7.25031 -67.2806 -32.5878 -21.3895 7.25033 -21.3895 -14.5813 GPRESSAVG: 3205600 2.15244 -69.0967 7.38505 -64.7715 -32.1029 -20.3324 9.33019 -20.7271 -14.3304 TIMING: 3205600 CPU: 10130, 0.00317817/step Wall: 10130, 0.00317817/step, 1.58414 hours remaining, 239.125000 MB of memory in use. ENERGY: 3205600 3992.5978 20615.9064 14357.7250 256.9033 -203382.4546 2598.7129 0.0000 0.0000 51741.6607 -109818.9485 297.3600 -161560.6092 -109464.9448 298.4844 -20.4730 7.0457 761711.5819 -14.8367 -14.7603 PRESSURE: 3205800 202.774 -93.4482 75.1882 -93.4491 188.12 -32.5597 75.1883 -32.5591 295.054 GPRESSURE: 3205800 226.525 -164.215 163.35 19.0229 231.236 5.43183 23.6972 -34.2421 316.868 PRESSAVG: 3205800 14.1183 -15.0527 14.8433 -15.0528 -5.94537 -21.3846 14.8433 -21.3846 -17.5273 GPRESSAVG: 3205800 14.3859 -16.7168 15.4452 -15.2634 -6.06575 -23.7472 12.3334 -20.8551 -17.5762 TIMING: 3205800 CPU: 10130.6, 0.00319137/step Wall: 10130.6, 0.00319137/step, 1.59054 hours remaining, 239.125000 MB of memory in use. ENERGY: 3205800 3839.0531 20481.3853 14384.7680 223.3219 -203748.5630 2793.5663 0.0000 0.0000 52068.6392 -109957.8292 299.2392 -162026.4683 -109599.5616 298.4514 228.6496 258.2098 761075.6179 -3.1181 -3.0854 PRESSURE: 3206000 209.654 13.5787 335.011 13.5786 75.217 77.534 335.01 77.5345 -219.79 GPRESSURE: 3206000 235.36 -44.5688 363.762 101.975 145.919 38.42 272.444 64.5133 -222.003 PRESSAVG: 3206000 15.5141 -2.55552 -14.2311 -2.55552 -4.01961 28.3781 -14.2311 28.3782 8.50169 GPRESSAVG: 3206000 15.0584 -2.20759 -12.9701 -2.79911 -3.31239 28.9168 -13.211 29.0159 8.32157 TIMING: 3206000 CPU: 10131.2, 0.00315668/step Wall: 10131.2, 0.00315668/step, 1.57308 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3206000 3937.3414 20389.1940 14395.5336 252.9380 -203437.9236 2647.8603 0.0000 0.0000 51933.2424 -109881.8138 298.4611 -161815.0562 -109521.0975 298.5892 21.6934 53.0921 761794.1707 6.6654 6.6892 PRESSURE: 3206200 -480.52 122.68 -22.0012 122.68 22.3222 20.7641 -22.0016 20.7628 -234.299 GPRESSURE: 3206200 -398.111 185.298 88.3229 213.289 -7.9377 61.6014 -18.0858 -45.3728 -208.651 PRESSAVG: 3206200 -25.838 15.7159 13.7717 15.7158 41.6723 -7.79526 13.7717 -7.79529 0.477311 GPRESSAVG: 3206200 -23.7237 17.7476 13.1846 15.8811 40.0017 -7.1121 13.5418 -10.6939 -0.167773 TIMING: 3206200 CPU: 10131.9, 0.00314909/step Wall: 10131.9, 0.00314909/step, 1.56912 hours remaining, 239.125000 MB of memory in use. ENERGY: 3206200 3985.3344 20522.3122 14366.0839 242.8180 -202842.0706 2329.9659 0.0000 0.0000 51655.1510 -109740.4052 296.8629 -161395.5562 -109377.0838 298.0579 -230.8320 -204.8998 762200.8684 5.4372 5.3701 PRESSURE: 3206400 8.49777 220.031 -330.748 220.03 82.4979 66.0882 -330.749 66.0889 -413.378 GPRESSURE: 3206400 -68.3275 117.594 -301.532 218.735 158.227 12.8308 -245.209 81.0956 -318.921 PRESSAVG: 3206400 24.7227 -23.7385 -41.1004 -23.7385 -33.9121 -1.10899 -41.1003 -1.10897 25.0431 GPRESSAVG: 3206400 23.0733 -24.2778 -41.6896 -25.0343 -31.94 0.360079 -38.1589 -0.5843 25.664 TIMING: 3206400 CPU: 10132.5, 0.00316382/step Wall: 10132.5, 0.00316382/step, 1.57629 hours remaining, 239.125000 MB of memory in use. ENERGY: 3206400 3995.1893 20498.4377 14392.9238 278.8776 -203402.9317 2553.2437 0.0000 0.0000 52009.2691 -109674.9905 298.8980 -161684.2596 -109317.0527 298.3858 -107.4607 -76.3403 759709.3692 5.2846 5.5991 PRESSURE: 3206600 -10.5083 -287.504 -237.18 -287.505 -124.897 161.132 -237.18 161.133 145.285 GPRESSURE: 3206600 -34.634 -219.1 -182.6 -270.324 -78.6742 0.937106 -270.063 207.769 209.083 PRESSAVG: 3206600 11.1847 -51.1704 26.616 -51.1705 -0.0443758 29.129 26.616 29.1289 1.24409 GPRESSAVG: 3206600 10.3138 -52.5237 26.7651 -49.9463 0.870868 26.8627 24.0938 29.7906 1.29874 TIMING: 3206600 CPU: 10133.1, 0.00318048/step Wall: 10133.1, 0.00318048/step, 1.58441 hours remaining, 239.125000 MB of memory in use. ENERGY: 3206600 4048.8015 20659.7382 14468.2382 234.4935 -203687.3143 2928.1154 0.0000 0.0000 51856.1696 -109491.7580 298.0181 -161347.9276 -109142.4228 299.1087 3.2932 31.9249 760344.5769 4.1281 4.1611 PRESSURE: 3206800 15.9231 -121.319 -218.532 -121.317 190.955 -229.38 -218.533 -229.381 79.2214 GPRESSURE: 3206800 76.5229 -34.3587 -277.752 -37.4913 230.057 -57.6485 -214.402 -137.196 74.1301 PRESSAVG: 3206800 -48.5518 -32.9249 -56.4592 -32.9248 36.0302 2.78142 -56.4593 2.78145 -1.86508 GPRESSAVG: 3206800 -47.7353 -31.9026 -55.3304 -33.2005 35.3403 5.48184 -56.6788 3.74631 -1.92994 TIMING: 3206800 CPU: 10133.8, 0.00315832/step Wall: 10133.8, 0.00315832/step, 1.57319 hours remaining, 239.125000 MB of memory in use. ENERGY: 3206800 4075.6333 20346.8932 14342.9626 247.1346 -203421.9233 2764.3607 0.0000 0.0000 52177.1219 -109467.8170 299.8626 -161644.9388 -109099.4791 299.6949 95.3666 126.9034 760714.3104 -4.7956 -4.7750 PRESSURE: 3207000 -156.012 30.8183 21.5764 30.818 -190.234 -8.04463 21.577 -8.04396 134.331 GPRESSURE: 3207000 -150.921 5.26649 62.977 -51.3236 -112.539 25.6112 -144.531 -89.3103 141.805 PRESSAVG: 3207000 -11.8427 -26.1999 -16.605 -26.1999 1.54302 44.1722 -16.605 44.1722 -21.307 GPRESSAVG: 3207000 -11.755 -24.3749 -17.1638 -25.4935 1.7982 41.8778 -17.4789 44.1758 -21.8182 TIMING: 3207000 CPU: 10134.4, 0.00316884/step Wall: 10134.4, 0.00316884/step, 1.57826 hours remaining, 239.125000 MB of memory in use. ENERGY: 3207000 3975.7694 20501.1566 14419.2829 238.7510 -203171.4922 2579.5067 0.0000 0.0000 51923.3563 -109533.6693 298.4042 -161457.0256 -109167.3270 299.3115 -70.6384 -40.5514 761368.4166 -10.5356 -10.5917 PRESSURE: 3207200 -97.5876 -49.1537 260.911 -49.1536 -266.064 149.978 260.912 149.979 -125.937 GPRESSURE: 3207200 -157.832 -80.1438 261.571 122.72 -110.078 56.7906 164.649 167.123 -134.777 PRESSAVG: 3207200 9.55954 -27.6049 -13.9724 -27.6049 -45.0501 -20.1355 -13.9725 -20.1354 -15.7309 GPRESSAVG: 3207200 7.67897 -29.1404 -14.1334 -26.7042 -43.7363 -21.0401 -12.5076 -20.5174 -15.5712 TIMING: 3207200 CPU: 10135, 0.00315694/step Wall: 10135, 0.00315694/step, 1.57216 hours remaining, 239.125000 MB of memory in use. ENERGY: 3207200 3887.6493 20403.9398 14373.3180 231.0365 -203329.2822 2678.0533 0.0000 0.0000 52216.4385 -109538.8468 300.0886 -161755.2853 -109166.3438 298.9842 -163.1963 -134.2291 760727.1612 -17.0738 -17.2095 PRESSURE: 3207400 -74.031 -17.2221 294.04 -17.2232 6.26967 -47.8526 294.041 -47.853 143.407 GPRESSURE: 3207400 -9.98191 -50.438 201.727 37.5757 20.3715 -84.1019 294.798 -53.5683 155.529 PRESSAVG: 3207400 -21.5261 -56.9367 -0.176509 -56.9367 26.9235 -45.1064 -0.176485 -45.1064 21.6955 GPRESSAVG: 3207400 -19.5913 -57.598 -1.04345 -55.8537 25.0739 -44.1962 -1.0585 -47.9837 21.2771 TIMING: 3207400 CPU: 10135.7, 0.00315372/step Wall: 10135.7, 0.00315372/step, 1.57038 hours remaining, 239.125000 MB of memory in use. ENERGY: 3207400 4027.0652 20504.0146 14384.9224 279.1198 -203501.8670 2956.2500 0.0000 0.0000 52042.3424 -109308.1527 299.0881 -161350.4951 -108942.0805 299.5200 25.2154 55.3064 760551.6227 9.0310 8.9199 PRESSURE: 3207600 -258.552 55.7587 212.498 55.7587 244.729 -140.889 212.498 -140.889 204.143 GPRESSURE: 3207600 -96.0158 -39.4662 264.276 4.31578 137.274 -117.096 126.545 -191.311 240.619 PRESSAVG: 3207600 28.1953 -53.6577 21.9327 -53.6577 7.35544 -26.6328 21.9327 -26.6328 0.385636 GPRESSAVG: 3207600 27.3811 -51.1585 22.6069 -56.3834 6.70992 -25.8023 22.071 -25.12 1.8457 TIMING: 3207600 CPU: 10136.3, 0.00316193/step Wall: 10136.3, 0.00316193/step, 1.57429 hours remaining, 239.125000 MB of memory in use. ENERGY: 3207600 4049.3610 20443.3393 14449.9727 259.6191 -203681.9183 2773.8687 0.0000 0.0000 52329.7551 -109376.0024 300.7398 -161705.7575 -109012.3252 300.4127 63.4399 93.9591 761216.2722 11.9788 11.9789 PRESSURE: 3207800 275.547 -59.4698 19.5307 -59.4696 -21.8352 -154.663 19.5318 -154.664 -183.526 GPRESSURE: 3207800 307.345 -27.17 -115.972 -79.161 -69.2678 -133.314 143.185 -101.706 -112.662 PRESSAVG: 3207800 28.126 -59.3931 86.0685 -59.3931 13.3285 -47.1298 86.0685 -47.1299 -17.3554 GPRESSAVG: 3207800 27.4493 -59.9953 86.8513 -58.0586 13.9859 -47.2795 85.5381 -46.4161 -17.8126 TIMING: 3207800 CPU: 10136.9, 0.00315005/step Wall: 10136.9, 0.00315005/step, 1.5682 hours remaining, 239.125000 MB of memory in use. ENERGY: 3207800 4047.5557 20637.3780 14405.0855 266.7821 -203200.1684 2446.4450 0.0000 0.0000 51966.3739 -109430.5482 298.6515 -161396.9220 -109080.8558 299.6822 23.3951 41.8048 759907.4969 8.0330 7.8742 PRESSURE: 3208000 -232.776 -6.94825 -83.0699 -6.94879 -86.1926 -64.3338 -83.071 -64.334 27.3677 GPRESSURE: 3208000 -174.952 -106.756 -51.6587 57.2462 -42.3141 -83.5045 -45.8917 -16.7498 2.64956 PRESSAVG: 3208000 22.5831 -78.3178 30.2513 -78.3179 -63.4954 -8.9419 30.2513 -8.94194 14.8092 GPRESSAVG: 3208000 22.9446 -78.8754 29.8808 -79.0826 -63.6009 -10.5674 30.912 -6.50853 14.5221 TIMING: 3208000 CPU: 10137.6, 0.00316505/step Wall: 10137.6, 0.00316505/step, 1.57549 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3208000 4074.7107 20562.5903 14366.0342 233.1769 -203601.9860 2626.1939 0.0000 0.0000 52262.7289 -109476.5510 300.3546 -161739.2799 -109117.2149 299.9258 -97.2004 -71.5387 760642.7228 -8.7011 -8.7114 PRESSURE: 3208200 -93.4344 -60.002 35.9802 -60.0015 -248.915 -129.479 35.9811 -129.479 -173.342 GPRESSURE: 3208200 -40.5711 -84.2703 6.41571 -107.764 -164.613 -94.1935 143.957 -262.383 -195.525 PRESSAVG: 3208200 45.7527 -41.8017 9.13333 -41.8017 -68.8261 -44.0838 9.13331 -44.0838 9.22282 GPRESSAVG: 3208200 45.3005 -43.8152 8.02422 -41.6515 -68.6069 -42.4603 9.78533 -46.1911 9.55357 TIMING: 3208200 CPU: 10138.2, 0.00316816/step Wall: 10138.2, 0.00316816/step, 1.57686 hours remaining, 239.125000 MB of memory in use. ENERGY: 3208200 4034.3292 20525.2379 14421.4835 261.0524 -203898.7598 2866.4623 0.0000 0.0000 52124.5847 -109665.6099 299.5607 -161790.1946 -109292.9391 299.6310 -171.8973 -133.5696 760223.2935 -4.6169 -4.5843 LDB: ============= START OF LOAD BALANCING ============== 10150.6 LDB: ============== END OF LOAD BALANCING =============== 10150.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10150.6 LDB: ============= START OF LOAD BALANCING ============== 10150.9 LDB: Largest compute 7060 load 0.032070 is 16.3% of average load 0.196181 LDB: Average compute 0.004403 is 2.2% of average load 0.196181 LDB: TIME 10150.9 LOAD: AVG 0.196181 MAX 0.21397 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.738 MB LDB: TIME 10150.9 LOAD: AVG 0.196181 MAX 0.21397 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.805 MB LDB: TIME 10150.9 LOAD: AVG 0.196181 MAX 0.21397 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.805 MB LDB: ============== END OF LOAD BALANCING =============== 10150.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10150.9 PRESSURE: 3208400 223.031 132.962 -83.2506 132.962 80.8233 -171.831 -83.2509 -171.831 172.289 GPRESSURE: 3208400 128.641 121.574 -28.2772 124.546 135.873 -132.391 -33.3177 -175.822 296.122 PRESSAVG: 3208400 44.2283 8.73271 10.0608 8.73276 -42.206 -31.8155 10.0609 -31.8154 -8.33756 GPRESSAVG: 3208400 45.3499 10.4453 12.5137 7.50531 -42.7687 -31.1314 7.51146 -33.6291 -8.54034 TIMING: 3208400 CPU: 10138.8, 0.00322266/step Wall: 10138.8, 0.00322266/step, 1.60381 hours remaining, 237.128906 MB of memory in use. ENERGY: 3208400 4012.0325 20548.0927 14429.4433 264.0915 -203721.6222 2603.4376 0.0000 0.0000 52160.5115 -109704.0130 299.7672 -161864.5245 -109351.6712 298.8703 158.7146 186.8787 758987.6737 -2.1051 -1.9864 PRESSURE: 3208600 -599.129 8.52039 -114.87 8.52134 -397.99 80.2853 -114.871 80.2854 -281.991 GPRESSURE: 3208600 -533.019 92.0078 -169.564 9.44131 -403.959 102.54 -152.797 45.8676 -266.348 PRESSAVG: 3208600 70.5217 -44.3692 -57.5691 -44.3692 -0.960996 -42.1841 -57.5691 -42.184 36.5299 GPRESSAVG: 3208600 69.3902 -42.6137 -58.8195 -43.0759 -0.429189 -42.7528 -54.3308 -39.0613 36.7022 TIMING: 3208600 CPU: 10139.5, 0.00314561/step Wall: 10139.5, 0.00314561/step, 1.56529 hours remaining, 237.128906 MB of memory in use. ENERGY: 3208600 3892.1504 20553.0640 14386.4152 234.2824 -202661.2044 1885.4465 0.0000 0.0000 51798.2801 -109911.5657 297.6854 -161709.8459 -109547.4887 298.8430 -426.3699 -401.1086 762681.2681 35.3635 35.2211 PRESSURE: 3208800 52.9697 -70.2893 -87.2212 -70.2896 51.4099 18.837 -87.2216 18.8366 204.084 GPRESSURE: 3208800 125.762 94.391 -143.892 -120.463 50.134 3.83131 -39.0399 67.4407 201.835 PRESSAVG: 3208800 29.1941 -9.72549 -0.7863 -9.72552 -44.4165 17.3502 -0.786292 17.3502 -15.7879 GPRESSAVG: 3208800 30.2827 -8.51461 -2.30907 -10.4928 -45.0298 17.6185 -3.3673 17.6937 -15.7861 TIMING: 3208800 CPU: 10140.1, 0.0031688/step Wall: 10140.1, 0.0031688/step, 1.57665 hours remaining, 237.128906 MB of memory in use. ENERGY: 3208800 3899.2071 20486.2674 14396.9077 241.3662 -203789.6158 2764.5698 0.0000 0.0000 51905.4770 -110095.8206 298.3015 -162001.2976 -109737.5434 298.0657 102.8213 125.9103 759861.9992 -10.3368 -10.1777 PRESSURE: 3209000 27.4708 -46.1757 126.394 -46.1757 -182.708 5.40354 126.394 5.40344 16.9649 GPRESSURE: 3209000 19.6358 -86.9552 57.3139 36.6229 -99.6608 74.2706 15.5056 44.1323 5.49671 PRESSAVG: 3209000 82.765 7.49462 -7.67486 7.49458 -65.6571 2.9107 -7.6748 2.91076 -4.54685 GPRESSAVG: 3209000 82.9557 5.83073 -8.51491 7.45203 -64.6562 3.39517 -6.78372 0.358078 -5.95352 TIMING: 3209000 CPU: 10140.7, 0.00316879/step Wall: 10140.7, 0.00316879/step, 1.57647 hours remaining, 237.128906 MB of memory in use. ENERGY: 3209000 3983.0531 20513.8793 14346.6620 234.4815 -203450.9308 2478.3577 0.0000 0.0000 51956.1779 -109938.3194 298.5929 -161894.4973 -109570.7293 298.3532 -46.0909 -24.8427 760642.9083 4.1870 4.1153 PRESSURE: 3209200 431.824 -74.2257 -35.7094 -74.2267 73.4945 -11.8398 -35.7098 -11.8394 485.663 GPRESSURE: 3209200 444.395 -112.09 -46.5988 50.5422 124.327 -32.4812 -30.2319 45.3348 489.951 PRESSAVG: 3209200 18.4775 -30.639 -13.0409 -30.639 -26.8943 6.16815 -13.041 6.16802 8.94681 GPRESSAVG: 3209200 15.7539 -32.1496 -11.6961 -30.7353 -25.5288 4.96746 -12.7025 7.77939 10.1552 TIMING: 3209200 CPU: 10141.4, 0.00318043/step Wall: 10141.4, 0.00318043/step, 1.58209 hours remaining, 237.128906 MB of memory in use. ENERGY: 3209200 3869.0784 20378.4440 14399.4729 241.3088 -203344.2987 2795.7531 0.0000 0.0000 51820.3294 -109839.9120 297.8121 -161660.2415 -109482.5648 297.5772 330.3272 352.8913 761344.6202 0.1767 0.1268 PRESSURE: 3209400 67.205 144.703 69.4078 144.703 219.93 -45.2069 69.4081 -45.2072 367.275 GPRESSURE: 3209400 117.625 99.3172 85.1414 220.436 229.181 -83.5639 35.1921 -102.355 398.237 PRESSAVG: 3209400 -7.75966 19.4095 -18.5069 19.4095 40.0321 17.4328 -18.5069 17.4328 -32.981 GPRESSAVG: 3209400 -6.89838 20.1643 -16.9983 20.8419 37.9832 15.3982 -18.2861 15.7941 -31.8306 TIMING: 3209400 CPU: 10142, 0.00317176/step Wall: 10142, 0.00317176/step, 1.5776 hours remaining, 237.128906 MB of memory in use. ENERGY: 3209400 3846.5426 20506.3538 14342.4237 262.8367 -203319.7590 2601.1200 0.0000 0.0000 51980.2991 -109780.1831 298.7315 -161760.4822 -109425.2299 298.2763 218.1367 248.3478 761834.8977 -0.2362 -0.2486 PRESSURE: 3209600 -170.616 21.4674 43.1275 21.4675 -28.9974 -62.7127 43.1276 -62.7138 288.616 GPRESSURE: 3209600 -31.8183 37.1129 56.6727 1.56671 -25.2506 10.9067 107.357 16.1264 232.585 PRESSAVG: 3209600 51.8252 -25.2546 -5.13383 -25.2546 -35.7764 21.6485 -5.13375 21.6486 46.6906 GPRESSAVG: 3209600 53.2297 -26.882 -5.53608 -23.8824 -37.17 23.5055 -5.33281 23.9154 46.3532 TIMING: 3209600 CPU: 10142.6, 0.00316247/step Wall: 10142.6, 0.00316247/step, 1.5728 hours remaining, 237.128906 MB of memory in use. ENERGY: 3209600 3938.6473 20501.5087 14328.3424 234.9373 -203912.9921 2894.6048 0.0000 0.0000 52203.3124 -109811.6391 300.0132 -162014.9515 -109444.9975 298.5183 29.6675 58.5053 761241.0825 20.9131 20.8043 PRESSURE: 3209800 -181.904 38.6722 -91.3244 38.6736 -355.77 152.203 -91.3242 152.203 -242.74 GPRESSURE: 3209800 -193.53 -79.396 -111.042 26.0667 -260.167 128.283 -18.4099 65.2372 -251.594 PRESSAVG: 3209800 42.1037 -13.7762 -62.0016 -13.7762 -47.5726 27.954 -62.0016 27.9539 -0.944313 GPRESSAVG: 3209800 41.5971 -14.1896 -62.6157 -14.3705 -46.3329 26.2096 -61.4102 28.1709 -1.30125 TIMING: 3209800 CPU: 10143.3, 0.00317292/step Wall: 10143.3, 0.00317292/step, 1.57782 hours remaining, 237.128906 MB of memory in use. ENERGY: 3209800 3999.0522 20418.7411 14399.5885 255.3996 -203406.4109 2494.5901 0.0000 0.0000 52013.9170 -109825.1224 298.9247 -161839.0394 -109450.9475 298.3890 -260.1380 -235.0970 762494.8946 -2.1377 -2.0123 PRESSURE: 3210000 -99.3756 -112.824 261.961 -112.824 -105.586 5.47939 261.962 5.47992 -161.829 GPRESSURE: 3210000 -63.1905 -68.2087 254.019 -53.965 -57.227 -2.96082 75.892 -39.9813 -202.245 PRESSAVG: 3210000 27.8873 -62.8584 43.8065 -62.8584 -33.5815 18.5624 43.8064 18.5623 0.0429716 GPRESSAVG: 3210000 27.6779 -60.9969 43.0979 -65.2123 -32.7718 21.7094 41.7201 17.3078 -1.03384 TIMING: 3210000 CPU: 10143.9, 0.00317604/step Wall: 10143.9, 0.00317604/step, 1.5792 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3210000 3961.1693 20489.0173 14383.6336 244.3588 -203271.1392 2449.0333 0.0000 0.0000 52037.7355 -109706.1914 299.0616 -161743.9269 -109349.7559 298.5778 -122.2635 -107.5540 762372.1868 -1.8837 -2.0426 PRESSURE: 3210200 635.775 -3.67221 -49.9825 -3.67217 157.339 -53.97 -49.9828 -53.9721 134.297 GPRESSURE: 3210200 612.367 -31.8825 -72.1996 64.4346 263.327 -25.2897 -121.306 -76.6102 133.461 PRESSAVG: 3210200 11.3019 -27.5253 2.04418 -27.5253 29.51 -5.40234 2.04412 -5.40246 7.17446 GPRESSAVG: 3210200 10.4932 -29.0747 2.3768 -25.4745 29.3244 -6.38734 3.24307 -5.4588 7.89473 TIMING: 3210200 CPU: 10144.5, 0.00317029/step Wall: 10144.5, 0.00317029/step, 1.57616 hours remaining, 237.128906 MB of memory in use. ENERGY: 3210200 3958.9568 20640.4202 14436.6020 247.1147 -203340.8406 2585.2770 0.0000 0.0000 51984.9282 -109487.5417 298.7581 -161472.4699 -109136.5059 298.6504 309.1369 336.3847 760663.1007 15.9955 15.9041 PRESSURE: 3210400 -55.9995 69.4609 158.389 69.4601 -413.266 60.9025 158.39 60.9031 -272.507 GPRESSURE: 3210400 -3.25841 156.691 193.134 -5.98487 -317.427 170.434 -19.8455 100.866 -353.399 PRESSAVG: 3210400 8.38625 -3.20264 14.4277 -3.20269 -4.51288 29.6425 14.4277 29.6426 22.5061 GPRESSAVG: 3210400 8.93105 -1.85482 16.3426 -2.92638 -5.22588 28.598 13.5218 31.1527 21.8629 TIMING: 3210400 CPU: 10145.2, 0.00316447/step Wall: 10145.2, 0.00316447/step, 1.5731 hours remaining, 237.128906 MB of memory in use. ENERGY: 3210400 3931.5976 20600.6819 14428.9354 231.4284 -203040.2722 2424.7913 0.0000 0.0000 51618.4942 -109804.3434 296.6522 -161422.8376 -109431.3197 299.1622 -247.2576 -224.6947 761853.1286 8.7932 8.5227 PRESSURE: 3210600 -7.16348 43.3997 44.9555 43.4007 -18.7456 -12.2879 44.957 -12.2883 324.451 GPRESSURE: 3210600 -74.354 -81.3329 115.061 67.8788 114.061 54.8201 110.756 -75.7831 347.922 PRESSAVG: 3210600 24.3299 -17.8654 54.3522 -17.8653 -33.5694 11.8915 54.3522 11.8916 -2.22617 GPRESSAVG: 3210600 23.8459 -17.016 53.4419 -19.9579 -31.9326 13.3845 54.135 10.2628 -2.02814 TIMING: 3210600 CPU: 10145.8, 0.00317948/step Wall: 10145.8, 0.00317948/step, 1.58038 hours remaining, 237.128906 MB of memory in use. ENERGY: 3210600 3961.0992 20320.3071 14463.1499 266.1658 -203744.6902 3034.3596 0.0000 0.0000 51935.5203 -109764.0884 298.4741 -161699.6087 -109402.4511 298.5468 99.5140 129.2096 759932.6329 -3.8219 -3.3716 PRESSURE: 3210800 -91.4748 -184.35 -63.8352 -184.35 -72.4133 -73.9408 -63.8356 -73.9402 -354.47 GPRESSURE: 3210800 -46.904 -180.14 -39.6577 -201.367 -82.5975 -129.49 -50.0214 -20.8612 -325.172 PRESSAVG: 3210800 27.2356 -27.3939 -28.2854 -27.3939 8.43383 -13.5697 -28.2854 -13.5696 18.8495 GPRESSAVG: 3210800 27.8857 -28.6712 -28.2643 -25.0404 7.30017 -14.4263 -27.0168 -13.3365 19.0979 TIMING: 3210800 CPU: 10146.4, 0.00317519/step Wall: 10146.4, 0.00317519/step, 1.57807 hours remaining, 237.128906 MB of memory in use. ENERGY: 3210800 4008.0528 20436.3331 14370.8419 243.2975 -203621.0999 2663.1650 0.0000 0.0000 51931.1745 -109968.2351 298.4492 -161899.4096 -109609.1447 298.5982 -172.7859 -151.5578 761143.3991 18.1730 18.0946 PRESSURE: 3211000 71.9217 -64.57 168.05 -64.5707 -132.051 122.472 168.05 122.471 -102.103 GPRESSURE: 3211000 79.8613 -92.3381 77.1305 -5.57258 -71.1835 81.2047 139.572 148.441 -102.277 PRESSAVG: 3211000 6.90868 -20.2746 -38.5373 -20.2745 -59.5834 61.6479 -38.5373 61.6478 -0.782369 GPRESSAVG: 3211000 7.38059 -17.0621 -37.3646 -22.0011 -59.6181 62.5983 -40.05 61.1004 -0.729621 TIMING: 3211000 CPU: 10147.1, 0.00319112/step Wall: 10147.1, 0.00319112/step, 1.58581 hours remaining, 237.128906 MB of memory in use. ENERGY: 3211000 3946.1486 20485.7351 14357.9902 252.0199 -203780.6819 2863.2367 0.0000 0.0000 51987.4890 -109888.0624 298.7728 -161875.5513 -109522.4844 298.1526 -54.0774 -31.1998 762513.3599 -17.8190 -17.6557 PRESSURE: 3211200 242.028 -68.7688 -221.288 -68.7702 488.407 -103.078 -221.288 -103.078 166.183 GPRESSURE: 3211200 224.768 -40.1563 -140.383 -168.467 486.461 -2.74327 -236.068 -41.2703 271.628 PRESSAVG: 3211200 53.5386 27.092 -12.544 27.092 -28.1938 30.6827 -12.5439 30.6827 6.69448 GPRESSAVG: 3211200 53.3198 23.0432 -12.438 28.0543 -28.0143 29.6064 -13.4423 31.8752 6.82362 TIMING: 3211200 CPU: 10147.7, 0.00316243/step Wall: 10147.7, 0.00316243/step, 1.57138 hours remaining, 237.128906 MB of memory in use. ENERGY: 3211200 3946.4557 20421.8149 14444.2414 274.8656 -204519.6933 3459.2475 0.0000 0.0000 52006.2210 -109966.8471 298.8805 -161973.0681 -109603.3671 298.9026 298.8728 327.6191 761313.8918 10.6798 10.7097 PRESSURE: 3211400 186.872 -180.562 154.111 -180.562 47.9636 -111.672 154.112 -111.672 416.182 GPRESSURE: 3211400 259.64 -169.014 215.861 -177.291 52.4811 -59.6881 110.459 7.54035 414.667 PRESSAVG: 3211400 -9.00477 -61.1698 -9.01324 -61.1698 -5.10912 76.3644 -9.01322 76.3644 -0.858483 GPRESSAVG: 3211400 -8.47279 -59.6509 -9.29444 -61.5346 -5.15168 76.6672 -8.41488 74.8092 -1.16127 TIMING: 3211400 CPU: 10148.3, 0.00315055/step Wall: 10148.3, 0.00315055/step, 1.5653 hours remaining, 237.128906 MB of memory in use. ENERGY: 3211400 4010.7932 20403.1472 14428.1574 241.9989 -204313.0112 3216.8224 0.0000 0.0000 51996.6200 -110015.4722 298.8253 -162012.0922 -109651.7787 298.0121 217.0057 242.2627 761267.6805 -4.9908 -4.9286 PRESSURE: 3211600 -142.092 23.3463 -5.68887 23.3476 9.51634 50.9436 -5.68846 50.9444 82.5501 GPRESSURE: 3211600 -124.105 -52.1978 12.844 56.4254 31.2774 -6.5326 52.6473 136.34 128.094 PRESSAVG: 3211600 15.4003 20.3597 -38.4929 20.3597 26.3383 33.9838 -38.493 33.9838 2.42996 GPRESSAVG: 3211600 15.5584 21.3242 -39.2152 18.3274 24.8038 35.4716 -37.0464 34.5386 3.79369 TIMING: 3211600 CPU: 10149, 0.00315485/step Wall: 10149, 0.00315485/step, 1.56726 hours remaining, 237.128906 MB of memory in use. ENERGY: 3211600 4053.0066 20383.5767 14332.4564 256.5155 -203683.5920 2652.6765 0.0000 0.0000 52100.9056 -109904.4547 299.4246 -162005.3603 -109536.2524 298.1196 -16.6753 11.7555 760574.7197 14.7229 14.7186 PRESSURE: 3211800 7.23298 -163.124 -61.4073 -163.123 -50.8211 105.903 -61.4075 105.902 299.175 GPRESSURE: 3211800 121.927 -87.1373 -30.0285 -65.5149 -106.14 72.3277 -61.9774 55.4924 321.916 PRESSAVG: 3211800 -0.358258 -8.9435 20.3816 -8.94353 -36.5356 42.4146 20.3816 42.4146 -3.43866 GPRESSAVG: 3211800 -0.61769 -9.85183 21.7574 -5.7089 -36.1431 40.5553 17.5212 42.5739 -3.52667 TIMING: 3211800 CPU: 10149.6, 0.00316584/step Wall: 10149.6, 0.00316584/step, 1.57254 hours remaining, 237.128906 MB of memory in use. ENERGY: 3211800 3990.5817 20692.8964 14334.8667 231.7702 -203870.5548 2731.5141 0.0000 0.0000 51934.6683 -109954.2574 298.4693 -161888.9257 -109596.7074 298.0474 85.1957 112.5677 760659.2033 -13.4442 -13.4291 PRESSURE: 3212000 -38.3503 191.286 82.3153 191.286 -396.361 -172.41 82.3146 -172.411 -322.679 GPRESSURE: 3212000 0.215254 112.586 40.9556 100.757 -373.113 -241.682 134.722 -173.883 -278.035 PRESSAVG: 3212000 135.803 -6.81107 1.57093 -6.81108 -122.68 22.0471 1.57091 22.0471 -2.67703 GPRESSAVG: 3212000 135.937 -6.39059 -1.98187 -7.00785 -122.932 21.9403 4.96179 21.9847 -2.49809 TIMING: 3212000 CPU: 10150.2, 0.0031611/step Wall: 10150.2, 0.0031611/step, 1.57002 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3212000 4006.9973 20511.9433 14397.0549 233.0688 -203480.4925 2515.3590 0.0000 0.0000 51915.2229 -109900.8463 298.3575 -161816.0692 -109537.5687 298.3006 -252.4635 -216.9773 761357.9879 3.4823 3.5025 PRESSURE: 3212200 -56.0152 215.681 98.0679 215.681 -159.709 -20.693 98.0681 -20.6934 -346.383 GPRESSURE: 3212200 -51.7766 264.526 2.57979 115.815 -102.989 -37.4473 52.1182 55.2795 -315.003 PRESSAVG: 3212200 80.8702 -2.63678 -4.16507 -2.63669 -95.2773 7.25769 -4.16503 7.25768 14.4478 GPRESSAVG: 3212200 80.5145 -2.91209 -3.06724 -4.00443 -93.8962 7.49928 -6.65036 8.10062 13.3516 TIMING: 3212200 CPU: 10150.9, 0.00316514/step Wall: 10150.9, 0.00316514/step, 1.57184 hours remaining, 237.128906 MB of memory in use. ENERGY: 3212200 3992.3173 20395.9923 14346.1776 242.7997 -203097.5583 2470.6144 0.0000 0.0000 51792.8097 -109856.8475 297.6540 -161649.6571 -109488.2492 297.9922 -187.3693 -156.5893 762367.5674 0.0136 -0.0100 LDB: ============= START OF LOAD BALANCING ============== 10163.3 LDB: ============== END OF LOAD BALANCING =============== 10163.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10163.3 LDB: ============= START OF LOAD BALANCING ============== 10163.6 LDB: Largest compute 7060 load 0.033433 is 17.1% of average load 0.196065 LDB: Average compute 0.004386 is 2.2% of average load 0.196065 LDB: TIME 10163.6 LOAD: AVG 0.196065 MAX 0.214425 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 10163.6 LOAD: AVG 0.196065 MAX 0.214425 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 10163.6 LOAD: AVG 0.196065 MAX 0.214425 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 10163.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10163.6 PRESSURE: 3212400 8.07651 46.6455 -106.937 46.6458 -267.523 -146.494 -106.938 -146.494 140.276 GPRESSURE: 3212400 -57.2999 19.231 -119.65 143.502 -131.245 -23.0556 -56.6009 -223.095 144.661 PRESSAVG: 3212400 13.0741 -42.9883 -0.597638 -42.9883 -1.18496 7.53684 -0.597637 7.5368 1.38372 GPRESSAVG: 3212400 11.957 -43.0124 -0.50335 -41.9679 -0.888303 9.00446 1.23767 6.34627 1.46344 TIMING: 3212400 CPU: 10151.5, 0.00323695/step Wall: 10151.5, 0.00323695/step, 1.60733 hours remaining, 238.921875 MB of memory in use. ENERGY: 3212400 4049.3127 20394.8159 14407.9753 248.7447 -203347.3083 2382.6732 0.0000 0.0000 52149.2789 -109714.5076 299.7026 -161863.7865 -109338.6048 298.6431 -39.7235 -14.6281 760743.2633 4.4243 4.1774 PRESSURE: 3212600 -89.248 -175.096 -127.676 -175.096 126.86 -195.499 -127.676 -195.499 275.826 GPRESSURE: 3212600 84.1526 -60.3177 -92.3818 -183.745 9.08101 -264.162 -133.086 -244.097 294.735 PRESSAVG: 3212600 -12.1635 -68.7633 -55.1056 -68.7633 8.80704 5.97595 -55.1056 5.97603 26.9408 GPRESSAVG: 3212600 -12.0599 -68.22 -54.4283 -67.6816 7.14772 3.00952 -55.4953 5.41544 28.2533 TIMING: 3212600 CPU: 10152.2, 0.00315781/step Wall: 10152.2, 0.00315781/step, 1.56785 hours remaining, 238.921875 MB of memory in use. ENERGY: 3212600 3978.3339 20513.5179 14393.0139 242.1300 -203450.4647 2561.2060 0.0000 0.0000 51923.1675 -109839.0955 298.4032 -161762.2631 -109483.4016 299.1492 104.4795 129.3229 760468.8932 7.8615 7.7803 PRESSURE: 3212800 40.2831 -99.9138 -71.6497 -99.9133 -40.2303 -82.829 -71.6503 -82.8304 79.7464 GPRESSURE: 3212800 43.4096 -5.36752 -124.681 -73.9055 94.1545 -137.131 -154.813 -48.0347 58.3405 PRESSAVG: 3212800 30.5784 -5.93812 -70.9517 -5.93811 6.33582 -17.8976 -70.9517 -17.8975 1.02488 GPRESSAVG: 3212800 30.5607 -6.63156 -69.7346 -7.6829 6.68574 -15.9126 -68.2842 -19.3421 0.819557 TIMING: 3212800 CPU: 10152.8, 0.00316919/step Wall: 10152.8, 0.00316919/step, 1.57333 hours remaining, 238.921875 MB of memory in use. ENERGY: 3212800 3989.9695 20441.6869 14381.2111 224.0790 -203374.8629 2525.2405 0.0000 0.0000 51871.3459 -109941.3299 298.1053 -161812.6758 -109583.0578 298.6748 26.5997 65.3015 761105.0715 12.6464 12.6887 PRESSURE: 3213000 -150.688 -118.322 224.275 -118.322 120.223 170.065 224.275 170.063 115.039 GPRESSURE: 3213000 -80.8846 -84.1922 148.749 -93.1396 78.4848 158.114 193.407 183.674 177.512 PRESSAVG: 3213000 82.3057 -22.1533 -54.7939 -22.1533 -64.8443 -18.8077 -54.7939 -18.8076 -9.39998 GPRESSAVG: 3213000 82.5974 -20.9389 -56.0012 -22.6803 -64.7311 -19.8115 -56.1351 -16.5507 -9.91372 TIMING: 3213000 CPU: 10153.4, 0.00319017/step Wall: 10153.4, 0.00319017/step, 1.58357 hours remaining, 238.921875 MB of memory in use. ENERGY: 3213000 4011.7937 20629.5221 14440.9752 235.4886 -203498.4776 2662.0855 0.0000 0.0000 51774.1217 -109744.4908 297.5466 -161518.6124 -109393.9165 298.4197 28.1914 58.3707 759923.4845 2.6871 2.6508 PRESSURE: 3213200 -66.5059 -16.2139 -180.846 -16.2147 -349.67 -135.5 -180.846 -135.5 147.137 GPRESSURE: 3213200 -88.7069 63.3737 -133.959 -0.969364 -219.297 -194.165 -94.5343 -160.929 121.835 PRESSAVG: 3213200 20.3098 -69.095 -10.9034 -69.095 -26.4683 40.7072 -10.9034 40.7071 11.298 GPRESSAVG: 3213200 20.1319 -70.3137 -10.0817 -69.4002 -26.5105 42.6521 -10.9676 39.065 11.4299 TIMING: 3213200 CPU: 10154.1, 0.00320534/step Wall: 10154.1, 0.00320534/step, 1.59092 hours remaining, 238.921875 MB of memory in use. ENERGY: 3213200 3927.9659 20726.0514 14468.5741 280.9960 -203174.7211 2369.4051 0.0000 0.0000 51765.0900 -109636.6386 297.4947 -161401.7286 -109282.7816 299.0260 -89.6798 -62.0562 761143.0103 1.7131 1.6838 PRESSURE: 3213400 362.081 -207.293 -175.02 -207.295 163.529 176.757 -175.02 176.757 -84.4422 GPRESSURE: 3213400 437.32 -222.222 -292.319 -238.397 152.89 66.4395 -123.788 203.933 -70.5458 PRESSAVG: 3213400 33.9699 -8.86454 -41.2688 -8.8646 -16.6263 43.1297 -41.2687 43.1297 -3.51159 GPRESSAVG: 3213400 34.4743 -7.94246 -40.5475 -9.39313 -16.1971 40.4672 -41.9402 45.8912 -4.62551 TIMING: 3213400 CPU: 10154.7, 0.0031775/step Wall: 10154.7, 0.0031775/step, 1.57692 hours remaining, 238.921875 MB of memory in use. ENERGY: 3213400 3979.5915 20534.2087 14340.8361 252.8465 -203384.4852 2524.0267 0.0000 0.0000 52130.0138 -109622.9618 299.5919 -161752.9755 -109263.3252 298.8815 147.0561 173.2214 760652.8386 4.6106 4.5505 PRESSURE: 3213600 -258.639 -83.7764 -19.308 -83.7767 -341.978 30.9622 -19.3083 30.9626 -212.061 GPRESSURE: 3213600 -180.997 -35.8458 -37.6864 -151.086 -366.226 75.6122 -54.4456 -5.3559 -173.399 PRESSAVG: 3213600 113.56 9.81631 56.8982 9.81633 -35.5328 20.633 56.8981 20.633 -14.389 GPRESSAVG: 3213600 113.266 10.3794 53.5927 7.87251 -36.0252 21.4168 58.0625 18.2544 -13.485 TIMING: 3213600 CPU: 10155.3, 0.00318777/step Wall: 10155.3, 0.00318777/step, 1.58184 hours remaining, 238.921875 MB of memory in use. ENERGY: 3213600 4008.4158 20580.1684 14304.0111 251.2247 -203122.3188 2214.9109 0.0000 0.0000 52121.6644 -109641.9236 299.5439 -161763.5879 -109283.3406 299.0382 -270.8925 -240.2073 762287.1250 21.2128 21.2520 PRESSURE: 3213800 164.288 -130.119 150.733 -130.119 144.761 -328.745 150.733 -328.745 150.958 GPRESSURE: 3213800 239.025 108.394 87.633 -87.8045 167.577 -320.081 48.6539 -279.238 131.309 PRESSAVG: 3213800 13.1412 -23.2487 35.0392 -23.2487 -58.6697 2.46881 35.0391 2.46877 30.3686 GPRESSAVG: 3213800 13.2552 -22.8879 37.5858 -20.288 -58.3289 2.98071 34.2561 2.5909 30.2208 TIMING: 3213800 CPU: 10156, 0.00317172/step Wall: 10156, 0.00317172/step, 1.5737 hours remaining, 238.921875 MB of memory in use. ENERGY: 3213800 3967.0012 20557.5134 14387.2574 239.3675 -203523.9486 2684.5766 0.0000 0.0000 52000.2788 -109687.9536 298.8463 -161688.2325 -109317.9645 298.8900 153.3360 179.3038 760187.8542 -5.0533 -4.9510 PRESSURE: 3214000 231.4 -2.54699 186.841 -2.54681 81.7028 -194.781 186.841 -194.782 38.9182 GPRESSURE: 3214000 300.732 -36.1018 235.504 56.3217 133.115 -173.316 104.991 -209.404 17.418 PRESSAVG: 3214000 8.8162 7.22161 69.7702 7.22164 -12.1732 9.85426 69.7702 9.85422 -4.0462 GPRESSAVG: 3214000 9.08816 4.96322 68.4045 8.46176 -12.1346 10.5445 68.2805 8.01657 -4.41677 TIMING: 3214000 CPU: 10156.6, 0.00317286/step Wall: 10156.6, 0.00317286/step, 1.57409 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3214000 3968.8801 20528.8873 14408.1234 265.3648 -203686.5072 2689.5830 0.0000 0.0000 52156.5989 -109669.0697 299.7447 -161825.6686 -109293.2588 299.2262 117.3403 150.4218 760909.1668 -2.4677 -2.4877 PRESSURE: 3214200 -228.375 126.626 -37.1827 126.626 13.0321 101.965 -37.1827 101.965 77.7015 GPRESSURE: 3214200 -221.492 66.5826 -44.3809 66.7518 64.7437 103.406 -36.0104 12.1796 86.0597 PRESSAVG: 3214200 -13.0118 -19.0448 12.6688 -19.0449 42.2914 14.4935 12.6688 14.4935 14.1539 GPRESSAVG: 3214200 -12.5095 -17.4366 13.5905 -22.2471 41.9536 13.7112 14.7513 15.4419 14.4054 TIMING: 3214200 CPU: 10157.2, 0.0031927/step Wall: 10157.2, 0.0031927/step, 1.58376 hours remaining, 238.921875 MB of memory in use. ENERGY: 3214200 4034.8987 20654.0630 14410.9599 240.0355 -203529.6273 2670.3421 0.0000 0.0000 52006.1830 -109513.1452 298.8802 -161519.3282 -109157.0217 299.4089 -45.8803 -23.5628 759859.8962 14.4778 14.6165 PRESSURE: 3214400 129.302 -119.078 162.104 -119.077 -53.6577 -37.6454 162.104 -37.6462 -191.03 GPRESSURE: 3214400 122.793 -113.787 165.607 -44.0507 -72.4495 43.4299 110.374 -94.1627 -89.4957 PRESSAVG: 3214400 42.2903 -1.18529 62.9445 -1.18528 -46.3311 17.0092 62.9445 17.0093 4.6138 GPRESSAVG: 3214400 41.0257 -1.20521 62.8897 -0.711768 -45.4259 17.7933 62.2805 18.3892 5.44217 TIMING: 3214400 CPU: 10157.9, 0.0031763/step Wall: 10157.9, 0.0031763/step, 1.57544 hours remaining, 238.921875 MB of memory in use. ENERGY: 3214400 4025.2580 20433.4934 14369.6946 246.6881 -203661.7300 2536.7936 0.0000 0.0000 52339.9566 -109709.8457 300.7985 -162049.8023 -109341.5225 299.5731 -38.4618 -13.0508 760529.5086 0.1910 0.3473 PRESSURE: 3214600 -151.417 29.8096 -170.584 29.8104 -209.966 -273.729 -170.584 -273.729 81.9815 GPRESSURE: 3214600 -89.4315 -8.94179 -230.115 -134.958 -141.569 -212.952 -55.731 -353.447 25.5061 PRESSAVG: 3214600 9.50898 -63.5107 68.9079 -63.5107 -21.97 -22.3652 68.9079 -22.3651 0.819756 GPRESSAVG: 3214600 8.91536 -63.0629 68.1834 -64.7178 -20.4378 -22.4353 69.9428 -23.8265 -0.411989 TIMING: 3214600 CPU: 10158.5, 0.00318313/step Wall: 10158.5, 0.00318313/step, 1.57866 hours remaining, 238.921875 MB of memory in use. ENERGY: 3214600 4078.9390 20472.3233 14394.9690 256.0173 -203074.8738 2163.0119 0.0000 0.0000 52042.8175 -109666.7958 299.0908 -161709.6133 -109310.9328 298.9046 -93.1337 -68.4981 759678.9716 -3.8804 -3.9781 PRESSURE: 3214800 -248.509 -128.796 13.8284 -128.796 -322.624 172.258 13.8282 172.257 -397.031 GPRESSURE: 3214800 -216.327 -93.2966 59.3948 -59.8025 -284.699 222.088 -113.669 6.46038 -387.766 PRESSAVG: 3214800 34.573 -40.621 -37.2632 -40.621 -0.976548 32.7598 -37.2632 32.7598 -14.1743 GPRESSAVG: 3214800 35.5175 -41.4848 -36.4201 -39.8311 -2.2193 32.2657 -38.5124 32.8025 -14.0988 TIMING: 3214800 CPU: 10159.2, 0.00317173/step Wall: 10159.2, 0.00317173/step, 1.57283 hours remaining, 238.921875 MB of memory in use. ENERGY: 3214800 3957.1539 20521.5627 14355.7181 250.5326 -203057.4051 2284.6491 0.0000 0.0000 52159.8405 -109527.9483 299.7633 -161687.7888 -109160.3477 299.0033 -322.7215 -296.2641 760775.7166 6.4740 6.3998 PRESSURE: 3215000 137.527 -223.768 20.4347 -223.769 23.6522 -40.6396 20.4347 -40.6401 182.258 GPRESSURE: 3215000 151.213 -242.102 -20.2346 -246.689 68.2961 -19.9677 2.26968 109.807 209.258 PRESSAVG: 3215000 4.10253 -65.6626 37.2389 -65.6627 -33.5482 -15.8057 37.2389 -15.8056 -13.8388 GPRESSAVG: 3215000 4.72325 -64.5353 36.2786 -64.5605 -33.1411 -14.7118 37.9034 -15.7352 -14.4011 TIMING: 3215000 CPU: 10159.8, 0.00316562/step Wall: 10159.8, 0.00316562/step, 1.56962 hours remaining, 238.921875 MB of memory in use. ENERGY: 3215000 3993.0453 20562.4151 14377.0648 262.2419 -203479.4463 2619.9935 0.0000 0.0000 52144.6972 -109519.9885 299.6763 -161664.6858 -109150.2760 299.3473 114.4792 142.9223 759723.7427 -14.4281 -14.2730 PRESSURE: 3215200 27.8257 -193.306 -42.3439 -193.305 -40.1177 -329.231 -42.3447 -329.232 -174.676 GPRESSURE: 3215200 75.026 -125.89 -82.4119 -90.9446 -84.3632 -383.548 115.93 -149.935 -104.2 PRESSAVG: 3215200 70.4766 -65.5543 27.3225 -65.5543 -70.4566 25.3695 27.3226 25.3695 11.44 GPRESSAVG: 3215200 69.5881 -63.5166 27.8141 -67.5171 -69.1106 22.8166 27.8454 27.8047 10.9405 TIMING: 3215200 CPU: 10160.4, 0.00315802/step Wall: 10160.4, 0.00315802/step, 1.56568 hours remaining, 238.921875 MB of memory in use. ENERGY: 3215200 4007.9656 20354.6922 14304.1107 274.0308 -203263.5260 2386.5285 0.0000 0.0000 52342.5321 -109593.6661 300.8133 -161936.1982 -109228.6202 299.3157 -62.3225 -37.8456 761349.8761 3.8200 3.8060 PRESSURE: 3215400 -178.495 191.413 240.487 191.413 -37.8745 -347.401 240.487 -347.402 -117.609 GPRESSURE: 3215400 -173.488 172.382 161.631 70.9292 -14.5331 -262.355 384.854 -379.497 -72.7124 PRESSAVG: 3215400 18.5033 -26.1138 65.2245 -26.1138 -41.5509 1.05403 65.2244 1.05405 0.110662 GPRESSAVG: 3215400 18.2854 -28.7966 65.5924 -23.5426 -42.9091 2.95262 65.6613 -0.0992985 1.91053 TIMING: 3215400 CPU: 10161.1, 0.0031788/step Wall: 10161.1, 0.0031788/step, 1.5758 hours remaining, 238.921875 MB of memory in use. ENERGY: 3215400 4003.2205 20520.3368 14385.4279 259.4120 -203245.3116 2572.9883 0.0000 0.0000 51969.7800 -109534.1460 298.6710 -161503.9260 -109175.7489 299.3965 -111.3259 -86.9113 761419.8080 -7.6457 -7.5711 PRESSURE: 3215600 -168.476 80.6824 -133.602 80.6824 -225.89 2.94375 -133.602 2.9436 -34.0023 GPRESSURE: 3215600 -169.961 83.9766 -84.4078 134.538 -93.0773 109.689 -119.883 121.715 -78.4003 PRESSAVG: 3215600 52.9954 -52.2899 55.0013 -52.2899 -47.0866 40.8579 55.0013 40.8579 4.02944 GPRESSAVG: 3215600 52.4934 -52.2347 55.5384 -54.6697 -47.0207 40.2364 54.5067 43.6155 4.82367 TIMING: 3215600 CPU: 10161.7, 0.00318202/step Wall: 10161.7, 0.00318202/step, 1.57722 hours remaining, 238.921875 MB of memory in use. ENERGY: 3215600 4015.9167 20518.0152 14443.3087 246.8389 -202803.1811 2391.4798 0.0000 0.0000 51772.4807 -109415.1411 297.5372 -161187.6218 -109050.7663 299.7923 -142.7896 -113.8129 762903.5497 3.3127 3.4321 PRESSURE: 3215800 -26.8243 -164.671 170.018 -164.671 -208.125 246.667 170.019 246.666 354.138 GPRESSURE: 3215800 43.8495 -159.958 171.96 -182.214 -235.206 252.614 259.374 210.02 405.83 PRESSAVG: 3215800 18.7074 -26.0901 32.7817 -26.09 -65.5386 23.9627 32.7817 23.9627 15.5316 GPRESSAVG: 3215800 19.6143 -25.2309 32.689 -24.1224 -65.6253 23.2643 31.9955 22.3885 14.9953 TIMING: 3215800 CPU: 10162.3, 0.00315014/step Wall: 10162.3, 0.00315014/step, 1.56125 hours remaining, 238.921875 MB of memory in use. ENERGY: 3215800 3998.6960 20448.2561 14476.7590 228.8234 -203194.9816 2580.0360 0.0000 0.0000 52045.2922 -109417.1189 299.1050 -161462.4111 -109065.7704 299.2875 39.7298 71.4912 761299.0911 -10.4332 -10.3386 PRESSURE: 3216000 53.6497 259.831 -124.293 259.833 -85.8602 69.2265 -124.294 69.2266 -411.038 GPRESSURE: 3216000 91.8103 259.048 -97.9221 151 -1.59341 -16.4378 -146.403 59.4331 -453.475 PRESSAVG: 3216000 33.9866 -28.3617 48.6705 -28.3618 -2.89613 40.4492 48.6705 40.4491 3.7143 GPRESSAVG: 3216000 33.2607 -30.3966 48.7177 -27.6889 -2.95732 41.6827 51.7878 39.4793 4.75371 TIMING: 3216000 CPU: 10162.9, 0.0031516/step Wall: 10162.9, 0.0031516/step, 1.56179 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3216000 3986.5671 20473.7041 14428.3806 250.3886 -203040.9856 2346.6381 0.0000 0.0000 52140.6186 -109414.6885 299.6529 -161555.3071 -109048.6734 299.5904 -147.7496 -121.0860 761814.6485 11.6016 11.6857 PRESSURE: 3216200 -4.64448 -94.2306 -191.955 -94.2312 -200.913 -345.049 -191.954 -345.05 -185.21 GPRESSURE: 3216200 10.0551 39.0195 -189.687 -53.5936 -145.297 -253.965 -317.874 -196.19 -174.172 PRESSAVG: 3216200 -9.0881 -82.6359 15.5991 -82.6359 -15.95 -53.2857 15.5991 -53.2857 -18.6161 GPRESSAVG: 3216200 -10.8393 -80.5182 13.4828 -84.086 -14.2758 -53.0971 13.3626 -53.9001 -19.2739 TIMING: 3216200 CPU: 10163.6, 0.0031794/step Wall: 10163.6, 0.0031794/step, 1.57539 hours remaining, 238.921875 MB of memory in use. ENERGY: 3216200 3873.8453 20572.3608 14425.7757 258.6672 -203064.0459 2596.3707 0.0000 0.0000 51985.9534 -109351.0729 298.7640 -161337.0263 -108986.0554 299.2738 -130.2559 -103.1379 761823.9760 -14.5514 -14.7964 LDB: ============= START OF LOAD BALANCING ============== 10176 LDB: ============== END OF LOAD BALANCING =============== 10176 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10176 LDB: ============= START OF LOAD BALANCING ============== 10176.3 LDB: Largest compute 7055 load 0.033289 is 17.0% of average load 0.196071 LDB: Average compute 0.004380 is 2.2% of average load 0.196071 LDB: TIME 10176.3 LOAD: AVG 0.196071 MAX 0.217473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 10176.3 LOAD: AVG 0.196071 MAX 0.217473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 10176.3 LOAD: AVG 0.196071 MAX 0.217473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 10176.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10176.3 PRESSURE: 3216400 41.1439 123.638 -4.36715 123.638 1.59225 107.979 -4.36672 107.978 12.7134 GPRESSURE: 3216400 70.2995 85.5791 0.0979283 123.036 68.849 173.51 46.5746 121.876 -6.01929 PRESSAVG: 3216400 81.3359 -19.9986 48.2725 -19.9986 -29.9454 7.68181 48.2725 7.68183 -1.49695 GPRESSAVG: 3216400 82.5513 -20.986 50.0543 -21.7513 -31.6621 7.43707 47.1405 6.63789 -1.03135 TIMING: 3216400 CPU: 10164.2, 0.00322404/step Wall: 10164.2, 0.00322403/step, 1.59733 hours remaining, 238.671875 MB of memory in use. ENERGY: 3216400 4070.1182 20460.2143 14406.9388 245.6705 -203103.7987 2468.4295 0.0000 0.0000 52007.4307 -109444.9967 298.8874 -161452.4273 -109084.1737 299.5167 18.4832 44.3764 761490.6500 16.6312 16.6193 PRESSURE: 3216600 128.565 -105.107 62.9515 -105.107 -281.328 112.204 62.9516 112.204 -81.0148 GPRESSURE: 3216600 158.851 -16.3091 101.136 -199.912 -277.22 130.414 -51.2404 212.412 -23.4585 PRESSAVG: 3216600 32.288 -61.1153 -20.0498 -61.1153 -56.0317 59.4716 -20.0498 59.4716 19.607 GPRESSAVG: 3216600 33.1354 -61.6562 -19.6383 -58.5472 -56.116 59.0343 -21.1007 60.6922 19.2313 TIMING: 3216600 CPU: 10164.9, 0.00314883/step Wall: 10164.9, 0.00314883/step, 1.5599 hours remaining, 238.671875 MB of memory in use. ENERGY: 3216600 4062.1491 20559.7060 14482.5325 237.9923 -203215.8274 2574.6014 0.0000 0.0000 52011.3595 -109287.4867 298.9100 -161298.8462 -108925.2998 299.3595 -77.9259 -47.2758 761283.9130 -1.3789 -1.2498 PRESSURE: 3216800 114.53 126.886 -178.475 126.885 183.481 132.495 -178.475 132.496 -253.203 GPRESSURE: 3216800 222.063 139.848 -199.794 117.098 120.98 37.6314 -196.226 133.263 -245.49 PRESSAVG: 3216800 65.3859 -23.0872 -6.67981 -23.0872 -65.9906 50.7834 -6.67974 50.7834 -13.5575 GPRESSAVG: 3216800 66.4264 -23.0096 -7.7943 -22.0313 -66.8473 51.2656 -4.69903 51.0194 -13.7846 TIMING: 3216800 CPU: 10165.5, 0.00315195/step Wall: 10165.5, 0.00315195/step, 1.56127 hours remaining, 238.671875 MB of memory in use. ENERGY: 3216800 3938.1613 20576.7958 14438.9875 232.8052 -203192.3631 2666.9459 0.0000 0.0000 51912.1161 -109426.5512 298.3396 -161338.6673 -109062.7812 299.0096 14.9361 32.5178 763167.3426 -4.7207 -4.7352 PRESSURE: 3217000 -242.531 100.215 15.8316 100.215 -395.961 128.031 15.8319 128.032 -722.66 GPRESSURE: 3217000 -289.135 57.7091 -42.24 146.86 -287.632 137.705 117.988 139.781 -712.138 PRESSAVG: 3217000 42.6873 -20.0137 20.355 -20.0136 -96.8776 40.4881 20.355 40.4882 15.4329 GPRESSAVG: 3217000 42.2723 -20.8082 19.644 -22.0616 -96.0831 41.0914 21.1495 40.2422 15.2094 TIMING: 3217000 CPU: 10166.1, 0.00315497/step Wall: 10166.1, 0.00315497/step, 1.56259 hours remaining, 238.671875 MB of memory in use. ENERGY: 3217000 3965.2001 20516.7209 14405.8554 222.3998 -202681.8136 2264.4990 0.0000 0.0000 51986.6814 -109320.4571 298.7682 -161307.1384 -108942.5542 298.9533 -453.7171 -429.6349 763698.8036 -12.9192 -12.8671 PRESSURE: 3217200 22.5776 -65.1582 -6.0428 -65.1581 -198.496 23.5538 -6.04275 23.554 -3.52148 GPRESSURE: 3217200 -19.7194 -76.2142 -82.9139 -79.7154 -69.799 81.894 59.5574 -15.7771 -10.6214 PRESSAVG: 3217200 32.4864 -55.9171 -25.1814 -55.9172 -41.5015 64.0778 -25.1814 64.0778 -23.6319 GPRESSAVG: 3217200 31.7192 -55.1142 -25.2143 -57.8076 -41.4628 63.2569 -26.9326 64.6166 -23.1824 TIMING: 3217200 CPU: 10166.8, 0.00316899/step Wall: 10166.8, 0.00316899/step, 1.56936 hours remaining, 238.671875 MB of memory in use. ENERGY: 3217200 3977.5389 20491.2500 14477.5871 231.0154 -203275.7252 2675.5650 0.0000 0.0000 52126.4602 -109296.3087 299.5715 -161422.7689 -108935.5505 299.2182 -59.8134 -33.3799 762196.4141 -10.8824 -10.9753 PRESSURE: 3217400 -261.712 -98.2984 95.6786 -98.2979 28.6182 -77.6207 95.6795 -77.62 -150.051 GPRESSURE: 3217400 -259.096 -56.5607 29.219 6.18562 48.9057 -26.3911 181.043 -141.562 -104.878 PRESSAVG: 3217400 28.4821 -56.3559 42.9573 -56.3559 -2.434 -11.3506 42.9574 -11.3507 3.27612 GPRESSAVG: 3217400 27.9607 -55.0849 43.2034 -56.4324 -1.57889 -10.3463 43.4602 -10.6385 2.79237 TIMING: 3217400 CPU: 10167.4, 0.00316304/step Wall: 10167.4, 0.00316304/step, 1.56623 hours remaining, 238.671875 MB of memory in use. ENERGY: 3217400 4098.4917 20476.8038 14497.8190 259.9431 -203279.0751 2597.3874 0.0000 0.0000 52083.1686 -109265.4614 299.3227 -161348.6300 -108912.1779 299.7898 -127.7148 -105.0227 761502.9810 9.7747 9.7247 PRESSURE: 3217600 -118.885 138.955 97.3111 138.954 -427.895 -105.071 97.3115 -105.071 -147.416 GPRESSURE: 3217600 -51.3695 36.5034 133.291 74.2015 -428.04 -173.534 18.376 9.15237 -113.162 PRESSAVG: 3217600 16.9046 -0.572292 16.574 -0.572261 -16.8849 52.0054 16.574 52.0053 1.62877 GPRESSAVG: 3217600 17.4224 -0.443534 17.0966 -0.186003 -19.1249 50.591 16.2272 51.4012 3.11653 TIMING: 3217600 CPU: 10168, 0.0031535/step Wall: 10168, 0.0031535/step, 1.56133 hours remaining, 238.671875 MB of memory in use. ENERGY: 3217600 4060.0815 20700.4132 14396.6728 243.9167 -203264.4248 2649.1337 0.0000 0.0000 52014.9576 -109199.2494 298.9307 -161214.2070 -108848.7937 299.6869 -231.3987 -197.5237 761572.0916 0.5495 0.4714 PRESSURE: 3217800 115.492 -65.2489 32.0222 -65.2499 2.51738 54.7805 32.0219 54.7807 142.536 GPRESSURE: 3217800 88.6284 -127.385 21.3314 -46.4696 22.7639 43.4409 210.691 104.23 222.428 PRESSAVG: 3217800 5.30588 -65.7211 21.6841 -65.7212 -6.758 15.7678 21.6841 15.7679 25.7048 GPRESSAVG: 3217800 4.6823 -66.252 20.5429 -65.0309 -6.05931 15.7423 23.938 16.9026 25.6546 TIMING: 3217800 CPU: 10168.6, 0.00315616/step Wall: 10168.6, 0.00315616/step, 1.56247 hours remaining, 238.671875 MB of memory in use. ENERGY: 3217800 3992.4765 20698.3219 14496.7390 262.3505 -203346.0210 2743.3644 0.0000 0.0000 52171.6737 -108981.0950 299.8313 -161152.7687 -108605.5020 300.5047 86.8485 111.2734 764110.8007 8.0842 8.0925 PRESSURE: 3218000 -463.007 165.555 -27.3045 165.555 -173.82 -98.1661 -27.3046 -98.1652 -174.092 GPRESSURE: 3218000 -395.19 163.077 33.4905 97.8057 -140.825 -74.1679 -70.2924 -82.0684 -182.872 PRESSAVG: 3218000 -51.5169 -21.0135 10.6086 -21.0135 27.7206 -28.7149 10.6086 -28.7149 7.26346 GPRESSAVG: 3218000 -50.3632 -21.1333 12.62 -21.1065 27.8125 -27.5043 8.43722 -31.0613 6.64852 TIMING: 3218000 CPU: 10169.3, 0.00315176/step Wall: 10169.3, 0.00315176/step, 1.56012 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3218000 4011.4798 20627.6413 14486.5645 235.5855 -203107.6418 2536.7241 0.0000 0.0000 52252.9395 -108956.7070 300.2984 -161209.6466 -108586.0258 299.8434 -270.3064 -239.6290 762640.5138 -5.5109 -5.3007 PRESSURE: 3218200 -269.995 -84.5052 -23.2461 -84.5054 -394.828 145.16 -23.2457 145.159 -141.804 GPRESSURE: 3218200 -337.617 -61.8902 -47.8335 -131.429 -263.359 139.289 -69.9741 29.9353 -128.395 PRESSAVG: 3218200 -18.735 -20.8742 -28.199 -20.8742 18.5034 -30.9498 -28.199 -30.9498 7.07771 GPRESSAVG: 3218200 -20.4733 -20.8742 -28.2182 -22.0182 20.3852 -30.8593 -28.279 -29.1974 6.9868 TIMING: 3218200 CPU: 10169.9, 0.00317124/step Wall: 10169.9, 0.00317124/step, 1.56959 hours remaining, 238.671875 MB of memory in use. ENERGY: 3218200 4092.5815 20722.0879 14465.6759 249.6738 -203023.7618 2380.4491 0.0000 0.0000 52095.0230 -109018.2706 299.3908 -161113.2936 -108660.4046 299.7518 -268.8759 -243.1237 762070.8837 2.2820 2.2995 PRESSURE: 3218400 26.7902 122.478 -376.399 122.478 -358.2 -116.938 -376.399 -116.938 97.9017 GPRESSURE: 3218400 20.5678 139.028 -233.465 203.031 -274.859 -121.513 -300.543 -165.662 93.8167 PRESSAVG: 3218400 50.0946 -39.604 -25.5722 -39.604 -3.39682 -27.8363 -25.5722 -27.8363 18.3457 GPRESSAVG: 3218400 50.1114 -38.4813 -25.3616 -38.962 -3.40208 -26.9724 -26.3222 -29.8373 18.43 TIMING: 3218400 CPU: 10170.5, 0.00316832/step Wall: 10170.5, 0.00316832/step, 1.56797 hours remaining, 238.671875 MB of memory in use. ENERGY: 3218400 4020.8970 20613.6108 14473.8023 261.0593 -202964.1517 2396.3298 0.0000 0.0000 52210.1862 -108988.2662 300.0527 -161198.4525 -108621.8677 299.8842 -77.8359 -53.4914 763287.6379 21.6812 21.7131 PRESSURE: 3218600 104.829 -98.4621 -134.488 -98.4626 271.678 68.1741 -134.489 68.1736 291.056 GPRESSURE: 3218600 155.58 -67.9089 -143.415 -43.723 264.461 62.6158 13.9162 85.6716 331.104 PRESSAVG: 3218600 32.1642 -29.7694 -61.7555 -29.7693 -19.6266 10.4732 -61.7555 10.4732 -36.2834 GPRESSAVG: 3218600 32.9703 -29.9532 -62.526 -32.0213 -20.9508 8.77735 -59.6662 13.1118 -35.7195 TIMING: 3218600 CPU: 10171.2, 0.00316579/step Wall: 10171.2, 0.00316579/step, 1.56654 hours remaining, 238.671875 MB of memory in use. ENERGY: 3218600 4046.3470 20507.0089 14480.7351 246.2826 -203566.5441 3117.3715 0.0000 0.0000 52404.1258 -108764.6733 301.1672 -161168.7991 -108403.7697 300.0548 222.5210 250.3817 761384.9937 -7.9153 -7.9000 PRESSURE: 3218800 -371.603 123.947 40.1721 123.947 -33.9743 -301.122 40.171 -301.121 229.641 GPRESSURE: 3218800 -313.645 -10.7016 35.232 183.834 27.462 -244.943 -11.1529 -204.114 205.907 PRESSAVG: 3218800 13.2636 -22.2728 25.9693 -22.2729 11.9632 -33.714 25.9694 -33.7139 -20.2065 GPRESSAVG: 3218800 13.6538 -22.4727 26.3627 -20.5371 12.5435 -32.383 24.1704 -32.0389 -21.1467 TIMING: 3218800 CPU: 10171.8, 0.00320624/step Wall: 10171.8, 0.00320624/step, 1.58638 hours remaining, 238.671875 MB of memory in use. ENERGY: 3218800 4042.3296 20483.3613 14448.1504 236.8699 -202820.8928 2667.0480 0.0000 0.0000 51986.2250 -108956.9085 298.7655 -160943.1335 -108588.3804 300.0142 -58.6454 -26.7586 765099.3682 1.6734 1.6835 PRESSURE: 3219000 -10.7922 202.505 11.1481 202.505 503.105 44.1696 11.147 44.1688 -204.426 GPRESSURE: 3219000 138.78 241.058 58.3442 234.004 458.715 80.5524 7.9959 76.0055 -204.053 PRESSAVG: 3219000 31.834 2.69978 -20.4553 2.69974 -9.94627 -39.3838 -20.4553 -39.3838 -4.4777 GPRESSAVG: 3219000 31.6751 1.64109 -20.6667 1.75362 -11.0664 -40.5086 -18.8737 -41.6128 -3.01167 TIMING: 3219000 CPU: 10172.5, 0.00318973/step Wall: 10172.5, 0.00318973/step, 1.57803 hours remaining, 238.671875 MB of memory in use. ENERGY: 3219000 3948.7959 20557.1028 14505.8104 230.4974 -203187.6710 2778.4364 0.0000 0.0000 51935.8211 -109231.2070 298.4759 -161167.0281 -108863.8290 299.3324 95.9624 131.1470 763463.4299 5.8033 5.8657 PRESSURE: 3219200 0.685258 15.1177 -93.8399 15.1182 -77.8012 -74.1173 -93.8403 -74.1172 77.4009 GPRESSURE: 3219200 18.9283 20.0055 -97.618 -55.3111 0.548778 -78.0171 -132.56 -59.5704 63.3595 PRESSAVG: 3219200 39.5505 1.9695 29.0535 1.96945 -35.5452 4.52968 29.0535 4.52964 25.7085 GPRESSAVG: 3219200 38.9582 2.46289 30.2063 0.970731 -34.441 4.41694 28.7972 4.9148 24.9619 TIMING: 3219200 CPU: 10173.1, 0.00314248/step Wall: 10173.1, 0.00314248/step, 1.55448 hours remaining, 238.671875 MB of memory in use. ENERGY: 3219200 4028.6415 20557.5678 14518.2276 241.2672 -203641.1401 2772.0765 0.0000 0.0000 52268.8641 -109254.4954 300.3899 -161523.3595 -108893.3921 299.4903 0.0950 27.6122 761854.4900 9.9046 9.8264 PRESSURE: 3219400 -135.395 -56.9314 -49.4079 -56.9312 -44.1812 173.666 -49.4074 173.667 -410.316 GPRESSURE: 3219400 -158.102 -91.8439 7.50372 -44.2717 -4.45382 145.57 -143.669 199.521 -355.367 PRESSAVG: 3219400 -5.64469 24.4717 -9.7611 24.4717 4.5705 -34.5936 -9.76106 -34.5935 -11.454 GPRESSAVG: 3219400 -5.17125 22.4792 -11.0046 28.0964 4.11455 -34.7867 -9.94831 -34.4436 -11.2048 TIMING: 3219400 CPU: 10173.7, 0.00315098/step Wall: 10173.7, 0.00315098/step, 1.55851 hours remaining, 238.671875 MB of memory in use. ENERGY: 3219400 3979.9499 20587.3401 14497.7392 235.6443 -203266.3079 2534.9910 0.0000 0.0000 52106.2108 -109324.4326 299.4551 -161430.6434 -108963.6057 298.8565 -196.6305 -172.6407 762473.8973 -4.1761 -4.0872 PRESSURE: 3219600 -37.2218 60.2793 158.743 60.2794 224.253 -292.247 158.742 -292.248 118.691 GPRESSURE: 3219600 39.4751 129.737 142.624 102.596 247.9 -297.136 274.922 -264.522 97.3001 PRESSAVG: 3219600 -8.43691 23.91 -21.3532 23.91 -4.32751 -50.627 -21.3532 -50.627 1.89464 GPRESSAVG: 3219600 -8.93599 25.5247 -20.9019 22.9179 -4.05218 -51.837 -22.5398 -50.5592 2.01207 TIMING: 3219600 CPU: 10174.4, 0.00318295/step Wall: 10174.4, 0.00318295/step, 1.57415 hours remaining, 238.671875 MB of memory in use. ENERGY: 3219600 3908.7132 20576.7000 14475.3544 256.5446 -203687.3703 2910.6667 0.0000 0.0000 52304.0564 -109255.3350 300.5921 -161559.3914 -108893.1278 299.6276 101.9073 128.2249 760663.1557 -3.6233 -3.6587 PRESSURE: 3219800 181.295 12.5024 123.953 12.5034 79.7518 -36.0912 123.953 -36.0918 61.1692 GPRESSURE: 3219800 152.167 35.8945 105.869 -26.51 151.708 -12.8996 66.2716 -95.1025 92.2937 PRESSAVG: 3219800 3.37491 15.8229 57.9934 15.8228 9.42883 -24.7703 57.9934 -24.7704 -27.7887 GPRESSAVG: 3219800 4.53271 15.2114 56.4404 13.7242 8.28976 -23.6535 61.4841 -24.938 -28.3622 TIMING: 3219800 CPU: 10175, 0.00317933/step Wall: 10175, 0.00317933/step, 1.57218 hours remaining, 238.671875 MB of memory in use. ENERGY: 3219800 3999.4895 20454.3637 14488.7756 245.6558 -203237.7685 2649.8559 0.0000 0.0000 52063.5597 -109336.0682 299.2100 -161399.6279 -108970.8823 299.6289 107.4054 132.0562 762715.8863 -4.9950 -5.1799 PRESSURE: 3220000 -84.9085 105.293 140.329 105.293 -127.632 98.4786 140.329 98.4773 -168.555 GPRESSURE: 3220000 6.7709 74.812 168.765 92.0799 -111.12 9.4288 40.3968 164.827 -186.906 PRESSAVG: 3220000 56.9206 -18.0741 -6.80851 -18.0742 -10.6032 7.53737 -6.80851 7.53736 14.2002 GPRESSAVG: 3220000 56.1946 -18.3619 -5.9628 -15.272 -9.54205 7.53439 -9.20394 8.01646 13.9513 TIMING: 3220000 CPU: 10175.6, 0.00317935/step Wall: 10175.6, 0.00317935/step, 1.57201 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3220000 3958.9806 20487.2974 14413.6901 247.3665 -202867.3136 2231.3970 0.0000 0.0000 52035.7055 -109492.8764 299.0499 -161528.5820 -109122.8277 298.7680 -127.0319 -97.0848 762455.1939 20.1725 20.2013 PRESSURE: 3220200 58.1208 -120.659 -11.5406 -120.658 353.495 -318.668 -11.5403 -318.669 230.879 GPRESSURE: 3220200 171.239 -153.955 -25.6225 -173.282 304.89 -166.469 -0.501255 -313.419 255.8 PRESSAVG: 3220200 18.7433 5.32241 7.56114 5.32244 -12.1253 -60.2469 7.56119 -60.2468 -11.9133 GPRESSAVG: 3220200 19.3446 6.59116 6.76404 4.33993 -12.5277 -58.9461 7.37706 -58.9193 -11.887 TIMING: 3220200 CPU: 10176.3, 0.00317984/step Wall: 10176.3, 0.00317984/step, 1.57208 hours remaining, 238.671875 MB of memory in use. ENERGY: 3220200 3952.9905 20433.0097 14435.5372 220.2346 -203849.2850 3102.3515 0.0000 0.0000 52183.8609 -109521.3006 299.9014 -161705.1614 -109170.6440 298.7810 214.1650 243.9762 761373.2156 -1.7651 -1.6900 LDB: ============= START OF LOAD BALANCING ============== 10188.7 LDB: ============== END OF LOAD BALANCING =============== 10188.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10188.7 LDB: ============= START OF LOAD BALANCING ============== 10189 LDB: Largest compute 7058 load 0.031278 is 15.9% of average load 0.196248 LDB: Average compute 0.004362 is 2.2% of average load 0.196248 LDB: TIME 10189 LOAD: AVG 0.196248 MAX 0.219382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.73 MB LDB: TIME 10189 LOAD: AVG 0.196248 MAX 0.219382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.77 MB LDB: TIME 10189 LOAD: AVG 0.196248 MAX 0.219382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.77 MB LDB: ============== END OF LOAD BALANCING =============== 10189 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10189 PRESSURE: 3220400 -259.961 188.821 -136.672 188.821 -461.15 -7.97417 -136.672 -7.9741 -114.293 GPRESSURE: 3220400 -217.857 126.78 -62.403 93.4459 -355.306 -40.0304 -50.9932 -29.1726 -183.593 PRESSAVG: 3220400 7.20864 5.07843 -0.924072 5.07848 -54.466 3.59644 -0.924054 3.59641 -13.3736 GPRESSAVG: 3220400 8.00833 5.0107 -0.241788 3.32024 -54.407 5.39496 -1.78168 0.445519 -14.263 TIMING: 3220400 CPU: 10176.9, 0.00326314/step Wall: 10176.9, 0.00326314/step, 1.61308 hours remaining, 238.871094 MB of memory in use. ENERGY: 3220400 4011.7760 20495.4956 14498.2639 230.4050 -203321.1328 2535.5176 0.0000 0.0000 52260.3509 -109289.3238 300.3410 -161549.6747 -108929.2004 299.0917 -278.4679 -252.2518 760532.9561 -20.2103 -20.2206 PRESSURE: 3220600 -147.619 171.571 -169.163 171.572 120.097 71.6312 -169.163 71.6309 -80.0944 GPRESSURE: 3220600 -51.1395 206.22 -173.048 254.625 58.2222 120.06 -19.749 132.468 -22.9118 PRESSAVG: 3220600 -15.6361 12.828 0.763727 12.8279 15.9741 -43.6112 0.763633 -43.6111 0.645775 GPRESSAVG: 3220600 -16.7231 12.3733 0.906486 14.957 16.2529 -45.5951 1.29219 -43.036 1.58547 TIMING: 3220600 CPU: 10177.6, 0.00318707/step Wall: 10177.6, 0.00318707/step, 1.5753 hours remaining, 238.871094 MB of memory in use. ENERGY: 3220600 3997.4129 20600.6969 14464.4726 249.7251 -203332.2154 2636.1771 0.0000 0.0000 52322.3483 -109061.3825 300.6973 -161383.7308 -108696.2389 299.4682 -35.8720 -5.2764 762483.7490 0.3279 0.3717 PRESSURE: 3220800 148.891 -2.38727 23.9904 -2.38711 -303.201 4.62319 23.9897 4.62406 -35.9208 GPRESSURE: 3220800 154.684 -80.4999 -29.4277 -43.9946 -216.573 -88.8781 82.0606 -32.5488 -47.1583 PRESSAVG: 3220800 36.3487 -19.3703 24.1549 -19.3703 -56.7091 -55.9426 24.155 -55.9426 9.94578 GPRESSAVG: 3220800 34.9205 -20.2482 23.0518 -20.1746 -56.0033 -56.7005 25.4507 -54.6874 10.6859 TIMING: 3220800 CPU: 10178.2, 0.00317715/step Wall: 10178.2, 0.00317715/step, 1.57022 hours remaining, 238.871094 MB of memory in use. ENERGY: 3220800 4042.1321 20614.2643 14482.3195 243.8904 -203531.2220 2810.7486 0.0000 0.0000 52272.9930 -109064.8740 300.4136 -161337.8670 -108701.8940 300.1200 -63.4103 -36.3493 761284.2666 -3.4715 -3.4657 PRESSURE: 3221000 237.908 35.599 23.5423 35.5989 173.149 145.571 23.543 145.571 98.0437 GPRESSURE: 3221000 245.999 -2.47179 97.5626 55.1375 210.58 126.371 17.304 0.860659 131.18 PRESSAVG: 3221000 5.78402 -11.107 15.0032 -11.107 -40.1879 -10.1289 15.0032 -10.1289 -6.8119 GPRESSAVG: 3221000 8.29643 -9.21401 15.9689 -10.6768 -41.0637 -9.31554 14.5442 -11.3939 -7.92673 TIMING: 3221000 CPU: 10178.8, 0.0031971/step Wall: 10178.8, 0.0031971/step, 1.5799 hours remaining, 238.871094 MB of memory in use. ENERGY: 3221000 4009.8677 20787.9063 14486.7651 249.3239 -203052.2327 2525.7765 0.0000 0.0000 51968.9011 -109023.6920 298.6660 -160992.5932 -108668.2106 299.8999 169.7003 195.9195 762073.1645 -13.7386 -13.5647 PRESSURE: 3221200 178.607 13.5826 6.64738 13.5825 -90.8191 -218.923 6.64734 -218.922 291.611 GPRESSURE: 3221200 130.637 -103.561 -57.675 -62.3856 113.552 -164.81 8.77478 -180.246 227.078 PRESSAVG: 3221200 43.0541 46.5818 -46.4933 46.5818 -41.3664 -11.9467 -46.4933 -11.9467 5.6181 GPRESSAVG: 3221200 39.9823 46.6647 -46.1112 46.0408 -38.1914 -11.9562 -45.1466 -10.9055 5.32905 TIMING: 3221200 CPU: 10179.5, 0.00316736/step Wall: 10179.5, 0.00316736/step, 1.56503 hours remaining, 238.871094 MB of memory in use. ENERGY: 3221200 4074.4057 20458.1271 14547.0651 256.2273 -203343.5879 2720.6715 0.0000 0.0000 52400.7134 -108886.3778 301.1476 -161287.0911 -108522.6642 299.7969 126.4664 157.0889 762718.8588 2.4353 2.3733 PRESSURE: 3221400 -78.6664 -75.6209 -198.248 -75.6212 -362.42 117.104 -198.248 117.104 -281.032 GPRESSURE: 3221400 -37.9672 -197.622 -207.561 -102.903 -262.83 38.3791 -308.611 40.7642 -319.922 PRESSAVG: 3221400 63.2649 -3.1424 1.16583 -3.1424 -54.3118 -10.9461 1.16582 -10.9461 -0.643921 GPRESSAVG: 3221400 65.4303 -4.38059 1.49044 -0.89578 -57.3187 -9.24218 -0.894388 -10.13 -0.0413292 TIMING: 3221400 CPU: 10180.1, 0.00315857/step Wall: 10180.1, 0.00315857/step, 1.56051 hours remaining, 238.871094 MB of memory in use. ENERGY: 3221400 4066.0669 20647.7743 14628.4554 273.5714 -203302.4014 2465.0919 0.0000 0.0000 52113.2322 -109108.2093 299.4955 -161221.4415 -108748.2589 300.4505 -240.7061 -206.9066 761357.4843 2.7697 2.6901 PRESSURE: 3221600 30.1025 -102.01 275.38 -102.01 -253.966 -15.6336 275.38 -15.6338 -8.69411 GPRESSURE: 3221600 51.0557 -12.6485 264.628 -43.3409 -160.518 68.3908 300.42 8.11838 -49.3728 PRESSAVG: 3221600 15.9094 -39.1049 -27.5398 -39.1049 -49.0341 2.16626 -27.5397 2.16627 -3.38128 GPRESSAVG: 3221600 16.1278 -37.93 -27.8066 -40.2247 -48.1112 1.5959 -28.784 2.72086 -4.4084 TIMING: 3221600 CPU: 10180.7, 0.00316808/step Wall: 10180.7, 0.00316808/step, 1.56503 hours remaining, 238.871094 MB of memory in use. ENERGY: 3221600 4065.4102 20567.7634 14559.0664 253.2534 -203619.0563 2763.7054 0.0000 0.0000 52213.1924 -109196.6651 300.0699 -161409.8575 -108824.1663 300.0951 -77.5191 -52.9450 761861.4870 -12.1686 -12.1306 PRESSURE: 3221800 24.464 -5.57775 56.4582 -5.57752 -38.2402 231.166 56.4585 231.166 8.72841 GPRESSURE: 3221800 44.5006 58.8242 113.937 31.2637 35.9659 289.695 88.9548 59.2604 9.99837 PRESSAVG: 3221800 69.7076 -65.907 -2.71524 -65.907 -52.0757 33.3174 -2.71528 33.3174 12.2652 GPRESSAVG: 3221800 69.2119 -63.7943 -0.88143 -67.9153 -51.307 33.0517 -1.23739 31.0436 12.0177 TIMING: 3221800 CPU: 10181.4, 0.00314853/step Wall: 10181.4, 0.00314854/step, 1.5552 hours remaining, 238.871094 MB of memory in use. ENERGY: 3221800 4090.0249 20473.2088 14539.9468 252.0582 -203273.4799 2595.9426 0.0000 0.0000 52052.0725 -109270.2261 299.1440 -161322.2986 -108916.2569 299.9962 -1.6826 30.1550 760897.3741 9.9657 9.9742 PRESSURE: 3222000 354.768 -10.6119 -23.2816 -10.6119 46.8063 -121.059 -23.2817 -121.059 43.4599 GPRESSURE: 3222000 404.441 69.5665 -66.5222 -56.2287 47.5666 -106.403 -16.3258 -108.783 65.8955 PRESSAVG: 3222000 97.0541 -14.1926 -1.85437 -14.1926 -72.9104 -0.170071 -1.85436 -0.170051 3.71815 GPRESSAVG: 3222000 98.6961 -15.3915 -3.31122 -13.8145 -74.1687 0.006932 -1.82536 1.2332 3.39957 TIMING: 3222000 CPU: 10182, 0.00315585/step Wall: 10182, 0.00315585/step, 1.55864 hours remaining, 238.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3222000 4018.9655 20642.0026 14459.1065 226.3964 -203948.1588 3088.7681 0.0000 0.0000 52066.1187 -109446.8010 299.2247 -161512.9197 -109086.6494 299.1357 148.3448 172.6344 759469.1689 9.2873 9.3090 PRESSURE: 3222200 103.401 -14.0091 45.6573 -14.0092 -180.506 -153.544 45.6573 -153.545 -351.032 GPRESSURE: 3222200 79.6608 -13.8054 77.628 -16.2671 -141.383 -137.103 27.8933 -195.835 -291.546 PRESSAVG: 3222200 36.7055 -28.6571 -39.1515 -28.6571 10.8141 10.006 -39.1516 10.006 1.32113 GPRESSAVG: 3222200 36.2091 -29.9342 -39.3291 -26.6697 9.78285 9.48569 -39.8197 9.33302 2.68225 TIMING: 3222200 CPU: 10182.6, 0.00315849/step Wall: 10182.6, 0.00315849/step, 1.55977 hours remaining, 238.871094 MB of memory in use. ENERGY: 3222200 4007.1238 20619.8283 14436.2163 258.2064 -203632.0558 2702.9806 0.0000 0.0000 52197.0676 -109410.6329 299.9773 -161607.7005 -109054.1914 299.4858 -142.7125 -117.7559 761518.2090 16.2802 16.2247 PRESSURE: 3222400 7.03371 -76.0567 -103.544 -76.0561 136.708 65.8981 -103.542 65.8983 320.867 GPRESSURE: 3222400 -30.6698 -99.1359 -72.8611 -25.8916 267.454 4.47512 -42.1397 58.3039 314.366 PRESSAVG: 3222400 1.30492 -17.7489 8.24866 -17.749 -24.8904 40.8624 8.2487 40.8623 -5.74045 GPRESSAVG: 3222400 0.434998 -17.4676 8.90514 -18.5062 -23.8783 41.2617 7.7552 39.8638 -5.46668 TIMING: 3222400 CPU: 10183.2, 0.00315124/step Wall: 10183.2, 0.00315124/step, 1.55601 hours remaining, 238.871094 MB of memory in use. ENERGY: 3222400 4057.1069 20531.9796 14415.0417 245.5595 -203868.9730 3175.6275 0.0000 0.0000 52305.4995 -109138.1584 300.6004 -161443.6579 -108788.4913 299.8630 154.8696 183.7170 761127.0910 -9.7753 -9.6367 PRESSURE: 3222600 82.6355 224.191 57.4667 224.19 196.659 -5.62184 57.4669 -5.62143 380.801 GPRESSURE: 3222600 203.764 189.048 -47.2234 220.47 166.904 28.9982 10.575 -7.58323 377.056 PRESSAVG: 3222600 -13.6376 0.214866 -27.7394 0.214889 -8.0444 31.9896 -27.7394 31.9896 21.6746 GPRESSAVG: 3222600 -13.0347 -1.21038 -28.9644 -0.662611 -8.50542 30.5329 -26.0959 33.8366 21.7952 TIMING: 3222600 CPU: 10183.9, 0.00315067/step Wall: 10183.9, 0.00315067/step, 1.55556 hours remaining, 238.871094 MB of memory in use. ENERGY: 3222600 4014.2423 20696.1949 14477.7082 251.5980 -203980.6225 2979.5492 0.0000 0.0000 52273.4365 -109287.8933 300.4162 -161561.3298 -108926.7252 300.0157 220.0319 249.2414 760887.4761 -0.0025 0.0850 PRESSURE: 3222800 104.568 -190.969 -23.8285 -190.969 121.553 68.8994 -23.8282 68.8995 -82.8879 GPRESSURE: 3222800 90.2561 -99.4399 26.5287 -237.99 246.753 111.971 34.415 -21.0773 -93.1302 PRESSAVG: 3222800 41.1567 5.01573 11.4592 5.01567 34.6222 35.1627 11.4592 35.1628 -0.495355 GPRESSAVG: 3222800 41.2232 6.5458 13.041 5.43796 34.8851 36.3795 11.7126 34.0505 -0.576335 TIMING: 3222800 CPU: 10184.5, 0.00314033/step Wall: 10184.5, 0.00314034/step, 1.55028 hours remaining, 238.871094 MB of memory in use. ENERGY: 3222800 4063.7996 20646.0213 14452.8142 256.6018 -203457.7473 2565.6005 0.0000 0.0000 52050.3167 -109422.5932 299.1339 -161472.9099 -109060.3373 299.6097 47.7444 81.2931 760233.1828 25.0945 25.1773 PRESSURE: 3223000 -82.3034 145.69 72.2864 145.69 242.29 -133.43 72.287 -133.43 -115.841 GPRESSURE: 3223000 14.1349 131.369 82.3351 114.731 270.117 -94.949 -77.2412 -233.145 -157.03 PRESSAVG: 3223000 35.8134 -6.45664 -31.3921 -6.45668 -10.8733 -18.3137 -31.3921 -18.3137 5.1618 GPRESSAVG: 3223000 34.9072 -6.58603 -32.6338 -7.13997 -9.78817 -20.1052 -31.5242 -18.3504 4.71835 TIMING: 3223000 CPU: 10185.1, 0.00314223/step Wall: 10185.1, 0.00314223/step, 1.55104 hours remaining, 238.871094 MB of memory in use. ENERGY: 3223000 4070.0392 20619.7519 14474.9089 245.0673 -203600.4356 2719.2150 0.0000 0.0000 52171.5301 -109299.9232 299.8305 -161471.4533 -108925.4577 299.2819 14.7154 42.4073 763174.8889 10.0340 9.9458 PRESSURE: 3223200 211.84 -43.0075 -54.681 -43.0075 114.661 30.7216 -54.6815 30.7213 -188.958 GPRESSURE: 3223200 293.265 -142.451 -25.9937 -108.014 84.4392 73.8026 -158.06 -4.09324 -157.605 PRESSAVG: 3223200 -4.71556 -34.2174 -56.5092 -34.2174 10.5314 -15.603 -56.5092 -15.603 -27.5532 GPRESSAVG: 3223200 -4.67996 -34.6423 -55.8369 -33.5363 9.34116 -13.8692 -58.1248 -16.7106 -27.088 TIMING: 3223200 CPU: 10185.8, 0.00316293/step Wall: 10185.8, 0.00316293/step, 1.56108 hours remaining, 238.871094 MB of memory in use. ENERGY: 3223200 4108.6883 20459.1599 14468.8986 251.0918 -203553.6004 2646.9315 0.0000 0.0000 52175.3442 -109443.4861 299.8524 -161618.8303 -109078.0513 299.0457 45.8476 73.3665 762132.8135 -7.2458 -7.4756 PRESSURE: 3223400 -145.756 18.5884 201.228 18.5882 -13.7664 -136.838 201.227 -136.838 334.127 GPRESSURE: 3223400 -106.087 -11.3237 175.911 49.6623 61.6253 -251.626 216.656 -197.595 287.406 PRESSAVG: 3223400 87.6606 -59.5875 -38.7797 -59.5874 -39.7463 -90.8708 -38.7797 -90.8707 -14.9225 GPRESSAVG: 3223400 87.2551 -59.4645 -40.4457 -58.9452 -38.6436 -90.7017 -37.572 -89.9958 -16.2931 TIMING: 3223400 CPU: 10186.4, 0.00315416/step Wall: 10186.4, 0.00315416/step, 1.55658 hours remaining, 238.871094 MB of memory in use. ENERGY: 3223400 3987.4881 20770.2546 14381.4361 262.3997 -203268.3939 2476.3444 0.0000 0.0000 51867.0176 -109523.4534 298.0805 -161390.4710 -109170.0584 298.9283 58.2014 80.9815 761848.0095 10.9973 10.7728 PRESSURE: 3223600 -159.411 -96.3982 -172.829 -96.3991 -90.5123 232.191 -172.828 232.19 3.97519 GPRESSURE: 3223600 -70.2318 -107.668 -129.95 -126.898 -141.132 195.865 -106.235 199.33 29.7167 PRESSAVG: 3223600 36.8266 -18.618 35.3237 -18.618 -85.759 10.0494 35.3237 10.0494 -5.11377 GPRESSAVG: 3223600 36.6794 -17.6482 36.8697 -21.7062 -86.515 9.66637 35.6355 11.1087 -4.49381 TIMING: 3223600 CPU: 10187, 0.00315419/step Wall: 10187, 0.00315419/step, 1.55642 hours remaining, 238.871094 MB of memory in use. ENERGY: 3223600 3971.3983 20632.6534 14446.3615 253.1323 -203420.4016 2671.3039 0.0000 0.0000 51911.4905 -109534.0616 298.3360 -161445.5521 -109170.9515 298.9043 -81.9826 -60.5492 763470.0240 -18.0154 -18.1098 PRESSURE: 3223800 208.335 -119.619 -71.2282 -119.619 26.1464 108.121 -71.2289 108.12 -129.23 GPRESSURE: 3223800 175.409 -165.729 -106.48 -18.8701 127.712 103.735 -160.881 131.055 -113.969 PRESSAVG: 3223800 38.8187 23.6146 -43.3487 23.6146 -54.0883 -23.5769 -43.3487 -23.577 -20.6806 GPRESSAVG: 3223800 39.3742 23.7721 -43.6303 24.3252 -54.0281 -23.7332 -42.8297 -23.3742 -21.1191 TIMING: 3223800 CPU: 10187.7, 0.00316133/step Wall: 10187.7, 0.00316133/step, 1.55977 hours remaining, 238.871094 MB of memory in use. ENERGY: 3223800 3962.1761 20492.3817 14402.8310 245.8484 -203487.4065 2781.9930 0.0000 0.0000 52122.7907 -109479.3855 299.5504 -161602.1762 -109104.1730 298.4048 35.0837 63.0509 763820.6953 -11.9834 -11.9243 PRESSURE: 3224000 76.8996 -109.767 28.0367 -109.766 -157.044 51.8516 28.0367 51.8508 410.49 GPRESSURE: 3224000 128.829 -115.675 124.706 -67.3293 -119.557 29.1245 26.0081 51.9311 394.976 PRESSAVG: 3224000 28.5533 -19.3028 15.5957 -19.3028 -29.9153 -71.9396 15.5957 -71.9396 18.0828 GPRESSAVG: 3224000 29.0514 -20.0432 15.1503 -18.3181 -29.9617 -71.6895 15.4184 -73.7382 17.738 TIMING: 3224000 CPU: 10188.3, 0.0031535/step Wall: 10188.3, 0.0031535/step, 1.55573 hours remaining, 238.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3224000 3937.7974 20649.8599 14406.4852 230.3846 -203175.6553 2783.7719 0.0000 0.0000 52050.8140 -109116.5423 299.1367 -161167.3563 -108751.7985 299.0133 110.1152 134.7492 761719.7140 5.5736 5.6093 PRESSURE: 3224200 192.046 48.6097 -22.0996 48.6101 60.7279 -109.054 -22.0987 -109.056 242.646 GPRESSURE: 3224200 309.816 -79.8744 -86.6533 150.654 117.724 -126.966 -150.357 -32.6926 149.902 PRESSAVG: 3224200 13.6182 -8.46285 -42.972 -8.46291 -10.7592 -52.6286 -42.972 -52.6286 17.8629 GPRESSAVG: 3224200 12.8414 -8.88393 -43.8135 -6.81754 -11.2719 -50.6301 -44.4358 -51.4982 19.0014 TIMING: 3224200 CPU: 10188.9, 0.00317276/step Wall: 10188.9, 0.00317276/step, 1.56505 hours remaining, 238.871094 MB of memory in use. ENERGY: 3224200 3952.8130 20443.6036 14458.4747 242.0864 -203263.5637 2783.1167 0.0000 0.0000 52138.8025 -109244.6666 299.6424 -161383.4691 -108890.9450 299.6680 165.1398 192.4808 761709.9257 6.9073 6.8570 LDB: ============= START OF LOAD BALANCING ============== 10201.3 LDB: ============== END OF LOAD BALANCING =============== 10201.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10201.3 LDB: ============= START OF LOAD BALANCING ============== 10201.6 LDB: Largest compute 7060 load 0.034424 is 17.5% of average load 0.196152 LDB: Average compute 0.004387 is 2.2% of average load 0.196152 LDB: TIME 10201.7 LOAD: AVG 0.196152 MAX 0.218035 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.262 MB LDB: TIME 10201.7 LOAD: AVG 0.196152 MAX 0.218035 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.262 MB LDB: TIME 10201.7 LOAD: AVG 0.196152 MAX 0.218035 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.262 MB LDB: ============== END OF LOAD BALANCING =============== 10201.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10201.7 PRESSURE: 3224400 29.1994 10.1192 -154.52 10.1188 -0.585841 -9.70046 -154.521 -9.70017 -286.897 GPRESSURE: 3224400 16.4949 34.9469 -117.633 -23.8326 10.9895 34.7692 -45.4187 -105.689 -200.139 PRESSAVG: 3224400 0.916637 -28.9372 4.65906 -28.9372 29.6663 -53.8208 4.65896 -53.8207 7.29441 GPRESSAVG: 3224400 2.15414 -27.3317 5.24652 -32.1554 28.2151 -56.0341 6.22383 -53.5408 7.88557 TIMING: 3224400 CPU: 10189.6, 0.00325883/step Wall: 10189.6, 0.00325883/step, 1.60733 hours remaining, 238.031250 MB of memory in use. ENERGY: 3224400 4000.6729 20671.2177 14403.1026 248.6690 -203130.4106 2482.0769 0.0000 0.0000 52021.3378 -109303.3338 298.9673 -161324.6716 -108943.1806 299.3185 -86.0943 -57.5515 762109.2625 12.6258 12.7516 PRESSURE: 3224600 -199.175 -33.0964 67.9044 -33.0967 -226.962 -21.3886 67.9039 -21.389 21.3874 GPRESSURE: 3224600 -96.4665 -38.8799 -24.6005 -38.1122 -208.381 -61.9772 147.859 -87.4837 -37.0886 PRESSAVG: 3224600 -38.0701 -26.658 42.3544 -26.6579 18.801 -66.9967 42.3545 -66.9967 0.391369 GPRESSAVG: 3224600 -38.6243 -28.3869 42.7163 -24.2367 21.3067 -68.7658 41.7038 -65.7024 -1.66986 TIMING: 3224600 CPU: 10190.2, 0.00315526/step Wall: 10190.2, 0.00315526/step, 1.55607 hours remaining, 238.234375 MB of memory in use. ENERGY: 3224600 3910.7136 20593.4358 14367.8895 238.2114 -203471.2942 2741.6889 0.0000 0.0000 52266.9785 -109352.3765 300.3790 -161619.3550 -108995.7929 299.4894 -134.9163 -113.9789 761737.4184 -6.2926 -6.3291 PRESSURE: 3224800 -79.3916 18.5195 4.3524 18.52 -31.5728 -118.828 4.35163 -118.828 32.5649 GPRESSURE: 3224800 -45.1078 67.8512 32.4215 -44.2658 17.6169 -45.0396 71.3551 -35.2819 24.7616 PRESSAVG: 3224800 9.67515 -68.2809 7.79762 -68.2809 -2.96301 -101.736 7.79756 -101.736 2.73075 GPRESSAVG: 3224800 8.6941 -67.9835 8.08983 -68.8862 -3.95621 -100.281 8.22003 -103.445 4.39497 TIMING: 3224800 CPU: 10190.8, 0.00315109/step Wall: 10190.8, 0.00315109/step, 1.55384 hours remaining, 238.234375 MB of memory in use. ENERGY: 3224800 3961.2098 20471.9989 14436.4756 215.4070 -203292.8285 2754.9818 0.0000 0.0000 52116.6314 -109336.1239 299.5150 -161452.7553 -108968.7448 299.2734 -26.1332 -0.9098 762386.6877 3.1476 3.0443 PRESSURE: 3225000 -56.591 -167.634 35.2043 -167.633 43.4706 17.4591 35.2034 17.4602 -150.005 GPRESSURE: 3225000 -72.7987 -35.1921 101.661 -52.487 144.71 -63.5782 12.6754 63.4221 -141.814 PRESSAVG: 3225000 25.5318 7.92435 -45.0184 7.9244 -24.6979 -84.4141 -45.0184 -84.4141 11.1947 GPRESSAVG: 3225000 25.9468 6.85142 -44.8996 9.83591 -24.462 -83.189 -45.5933 -85.0095 10.5358 TIMING: 3225000 CPU: 10191.5, 0.00315402/step Wall: 10191.5, 0.00315402/step, 1.55511 hours remaining, 238.234375 MB of memory in use. ENERGY: 3225000 3951.8178 20517.4911 14417.1242 257.4526 -203191.2750 2653.3652 0.0000 0.0000 52186.2585 -109207.7655 299.9151 -161394.0240 -108850.6304 299.7109 -54.3751 -23.3007 762909.9688 4.0095 4.0069 PRESSURE: 3225200 -266.496 -207.018 202.735 -207.018 -105.688 -56.589 202.735 -56.5894 114.312 GPRESSURE: 3225200 -310.92 -132.711 231.43 -130.469 -51.5637 -95.8201 179.07 -78.5057 172.709 PRESSAVG: 3225200 -32.6471 8.89274 37.9545 8.89274 38.061 -34.8435 37.9545 -34.8435 -7.39135 GPRESSAVG: 3225200 -32.1245 10.8567 36.0233 8.22213 37.8132 -36.7894 39.0201 -35.492 -7.74807 TIMING: 3225200 CPU: 10192.1, 0.00315363/step Wall: 10192.1, 0.00315363/step, 1.55474 hours remaining, 238.234375 MB of memory in use. ENERGY: 3225200 3892.9133 20562.6711 14464.6491 252.0408 -203120.7953 2369.6553 0.0000 0.0000 52175.8145 -109403.0512 299.8551 -161578.8657 -109033.7148 299.4698 -85.9574 -63.2583 762041.7905 -0.6591 -0.6865 PRESSURE: 3225400 -129.417 145.733 -155.241 145.733 -164.267 37.2247 -155.242 37.2253 -332.252 GPRESSURE: 3225400 -121.543 118.823 -157.353 196.928 -142.006 -21.6838 -40.2143 88.3027 -285.158 PRESSAVG: 3225400 32.1819 -10.6013 -11.4744 -10.6012 -4.7918 -29.3479 -11.4744 -29.3478 2.52547 GPRESSAVG: 3225400 30.9102 -10.8243 -12.2057 -12.7916 -4.17433 -28.6761 -9.32772 -27.0394 2.57802 TIMING: 3225400 CPU: 10192.7, 0.00316125/step Wall: 10192.7, 0.00316125/step, 1.55832 hours remaining, 238.234375 MB of memory in use. ENERGY: 3225400 4031.2242 20561.6399 14510.6764 257.1872 -203401.1801 2585.2902 0.0000 0.0000 52094.1163 -109361.0460 299.3856 -161455.1623 -108994.9989 299.6554 -208.6452 -182.9023 762540.2579 9.9719 9.7713 PRESSURE: 3225600 -226.054 -80.5765 127.802 -80.5771 -290.001 -77.1596 127.802 -77.159 138.845 GPRESSURE: 3225600 -174.276 -133.396 105.764 -135.344 -280.063 -105.094 0.586658 -88.7453 125.874 PRESSAVG: 3225600 -2.58713 -92.4623 22.8315 -92.4623 -20.1983 -13.5858 22.8315 -13.5859 -4.93916 GPRESSAVG: 3225600 -2.00483 -92.1177 26.0814 -91.0586 -20.1861 -12.2555 20.8094 -15.072 -5.86843 TIMING: 3225600 CPU: 10193.4, 0.00316408/step Wall: 10193.4, 0.00316408/step, 1.55954 hours remaining, 238.234375 MB of memory in use. ENERGY: 3225600 4061.5795 20492.8439 14464.3909 267.6305 -203395.2590 2532.9456 0.0000 0.0000 52006.7874 -109569.0812 298.8837 -161575.8686 -109204.1121 299.3865 -125.7366 -109.4884 762303.8540 -9.2415 -9.3531 PRESSURE: 3225800 -99.8506 -130.484 -211.025 -130.483 -187.624 88.1809 -211.026 88.1809 -297.693 GPRESSURE: 3225800 -51.4001 -140.933 -80.7628 -28.1027 -175.12 169.24 -321.641 68.9002 -262.301 PRESSAVG: 3225800 21.835 -71.7566 -42.0175 -71.7566 -36.0156 34.6786 -42.0175 34.6786 22.2033 GPRESSAVG: 3225800 22.1518 -73.982 -42.3886 -70.6232 -37.1814 34.8198 -42.6142 33.7774 23.0013 TIMING: 3225800 CPU: 10194, 0.00317983/step Wall: 10194, 0.00317983/step, 1.56712 hours remaining, 238.234375 MB of memory in use. ENERGY: 3225800 3930.1374 20482.2718 14441.5593 223.3776 -203283.9589 2546.8726 0.0000 0.0000 52020.1826 -109639.5577 298.9607 -161659.7403 -109272.0492 298.5520 -195.0561 -162.9405 762685.5440 2.6742 2.6572 PRESSURE: 3226000 -38.1994 192.531 73.4239 192.531 -430.989 111.591 73.4235 111.592 -43.0867 GPRESSURE: 3226000 -44.1945 170.938 -10.9484 339.314 -385.61 49.3667 136.001 142.554 20.807 PRESSAVG: 3226000 -2.75719 -41.0946 7.56584 -41.0946 -1.45645 -43.277 7.56589 -43.277 -6.17888 GPRESSAVG: 3226000 -2.7448 -40.5692 7.40375 -43.0723 -1.67018 -44.2199 7.77223 -41.0707 -6.17269 TIMING: 3226000 CPU: 10194.6, 0.0031746/step Wall: 10194.6, 0.0031746/step, 1.56437 hours remaining, 238.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3226000 4090.6726 20296.2390 14567.2516 239.6978 -203364.2081 2517.3482 0.0000 0.0000 52074.4175 -109578.5814 299.2724 -161652.9989 -109214.6757 298.6440 -170.7584 -136.3324 762316.8045 -3.4642 -3.5292 PRESSURE: 3226200 32.9752 24.1764 -110.598 24.1766 -165.584 75.1588 -110.598 75.1602 -207.708 GPRESSURE: 3226200 76.4622 -140.292 -79.7085 2.13217 -190.623 111.458 -54.205 80.0239 -160.876 PRESSAVG: 3226200 24.134 -17.4859 -68.5321 -17.4858 -32.5833 -0.102297 -68.5321 -0.102302 13.9396 GPRESSAVG: 3226200 23.104 -17.8787 -69.311 -16.5465 -31.8951 -1.18771 -68.1146 -1.57211 14.6744 TIMING: 3226200 CPU: 10195.3, 0.00316819/step Wall: 10195.3, 0.00316817/step, 1.56103 hours remaining, 238.234375 MB of memory in use. ENERGY: 3226200 3981.4834 20534.2896 14386.5730 257.2489 -203388.0283 2349.8967 0.0000 0.0000 52006.2164 -109872.3203 298.8804 -161878.5366 -109506.6156 298.4542 -113.4390 -91.6788 761144.8048 1.8301 1.9611 PRESSURE: 3226400 235.298 14.998 -132.77 14.9981 175.4 -149.556 -132.77 -149.557 275.759 GPRESSURE: 3226400 266.57 -67.6644 -123.362 24.4603 172.393 -80.1978 -127.603 -181.963 334.811 PRESSAVG: 3226400 -19.6719 -28.5421 -29.1499 -28.5421 16.9898 3.17615 -29.1499 3.17616 7.50396 GPRESSAVG: 3226400 -18.2774 -27.8161 -29.4549 -27.6356 16.0441 5.64608 -28.7097 2.10955 7.69097 TIMING: 3226400 CPU: 10195.9, 0.00317529/step Wall: 10195.9, 0.00317531/step, 1.56437 hours remaining, 238.234375 MB of memory in use. ENERGY: 3226400 4002.6747 20444.8060 14414.3549 224.1636 -203736.2421 2968.3165 0.0000 0.0000 51871.8259 -109810.1006 298.1081 -161681.9265 -109455.6062 298.8076 228.8191 257.9249 761151.2774 1.6073 1.8192 PRESSURE: 3226600 -37.3129 -326.503 -72.6774 -326.504 -306.726 143.443 -72.6768 143.442 237.492 GPRESSURE: 3226600 -52.5331 -368.594 -23.4145 -241.38 -210.582 235.194 -79.7816 68.7102 262.72 PRESSAVG: 3226600 35.282 -54.1384 -74.4561 -54.1384 17.9027 21.8505 -74.4561 21.8505 10.8807 GPRESSAVG: 3226600 33.915 -52.6435 -74.8945 -55.5442 19.5337 21.8778 -74.6453 22.6754 10.3004 TIMING: 3226600 CPU: 10196.5, 0.00316911/step Wall: 10196.5, 0.00316911/step, 1.56114 hours remaining, 238.234375 MB of memory in use. ENERGY: 3226600 3902.8901 20416.0935 14432.1391 244.5729 -203056.4795 2447.6201 0.0000 0.0000 51892.7520 -109720.4117 298.2284 -161613.1637 -109364.6020 298.7671 -35.5155 -0.1319 762421.5130 21.3551 21.2497 PRESSURE: 3226800 -453.262 -29.106 86.7519 -29.1051 -252.015 129.323 86.7523 129.323 -80.2046 GPRESSURE: 3226800 -417.003 -73.0887 197.144 -147.293 -164.074 197.103 110.992 -2.08189 -93.6045 PRESSAVG: 3226800 13.8303 -37.3984 -11.4119 -37.3984 -24.3458 26.7213 -11.4119 26.7214 16.4721 GPRESSAVG: 3226800 14.4587 -39.975 -9.32466 -35.5351 -25.2643 24.055 -12.167 28.8517 16.1042 TIMING: 3226800 CPU: 10197.2, 0.0031689/step Wall: 10197.2, 0.0031689/step, 1.56086 hours remaining, 238.234375 MB of memory in use. ENERGY: 3226800 3981.1882 20383.3898 14439.1465 247.8455 -202946.3228 2355.4601 0.0000 0.0000 51799.2859 -109740.0069 297.6912 -161539.2928 -109388.9996 298.1874 -261.8271 -224.8938 761412.7737 1.9855 1.7662 PRESSURE: 3227000 -38.1304 -199.676 -104.717 -199.676 -57.8917 -92.1308 -104.718 -92.1312 419.914 GPRESSURE: 3227000 -23.5061 -156.985 -156.815 -316.292 -29.3578 -44.4848 5.5172 -134.281 447.499 PRESSAVG: 3227000 -36.2551 -74.4479 -22.1023 -74.4479 74.3452 28.1314 -22.1023 28.1313 -17.5263 GPRESSAVG: 3227000 -36.6055 -72.8737 -23.5143 -75.8366 74.6066 30.2452 -20.5244 25.8671 -17.4711 TIMING: 3227000 CPU: 10197.8, 0.00317055/step Wall: 10197.8, 0.00317055/step, 1.5615 hours remaining, 238.234375 MB of memory in use. ENERGY: 3227000 3930.0418 20340.2640 14485.1913 261.2607 -203027.6850 2585.6461 0.0000 0.0000 51691.0538 -109734.2273 297.0692 -161425.2811 -109371.5261 298.2902 107.9639 131.5450 763196.6389 6.8546 6.8433 PRESSURE: 3227200 56.0914 26.9963 -92.5278 26.9962 158.589 -53.899 -92.5278 -53.8995 323.222 GPRESSURE: 3227200 107.399 59.3735 -118.675 -10.1736 214.627 16.604 -25.6729 47.2373 301.827 PRESSAVG: 3227200 -7.25115 -13.8914 -29.863 -13.8914 -36.6294 5.44465 -29.863 5.44465 -8.14101 GPRESSAVG: 3227200 -6.20648 -14.2372 -29.06 -13.2567 -36.7088 4.82364 -31.8316 4.97428 -9.15426 TIMING: 3227200 CPU: 10198.4, 0.00317958/step Wall: 10198.4, 0.00317958/step, 1.56577 hours remaining, 238.234375 MB of memory in use. ENERGY: 3227200 3996.9295 20341.9309 14386.6252 252.7575 -203288.0899 2533.4320 0.0000 0.0000 51935.8608 -109840.5540 298.4761 -161776.4149 -109482.7067 297.9418 179.3007 207.9508 761465.5052 -17.3405 -17.3565 PRESSURE: 3227400 -499.355 -200.979 -127.396 -200.979 -181.328 -19.0491 -127.396 -19.049 41.531 GPRESSURE: 3227400 -429.578 -64.225 -95.2991 -173.436 -115.207 -35.3979 -220.638 52.9283 -0.753334 PRESSAVG: 3227400 -42.5108 -2.15815 5.65026 -2.15821 18.4153 -30.3762 5.65023 -30.3762 -12.4732 GPRESSAVG: 3227400 -42.3441 -1.44929 5.58624 -3.55201 18.08 -30.8214 4.15665 -29.468 -11.8997 TIMING: 3227400 CPU: 10199.1, 0.00315152/step Wall: 10199.1, 0.00315152/step, 1.55177 hours remaining, 238.234375 MB of memory in use. ENERGY: 3227400 3942.0528 20370.6011 14415.7468 239.1330 -203031.0813 2341.8072 0.0000 0.0000 51676.8501 -110044.8903 296.9876 -161721.7404 -109681.5599 297.4372 -213.0507 -181.8464 762349.0203 -12.1896 -12.0546 PRESSURE: 3227600 43.6136 -51.7737 241.44 -51.7739 -112.345 26.799 241.44 26.8002 185.801 GPRESSURE: 3227600 93.4578 -125.11 242.569 21.902 -63.0395 2.92827 130.841 82.1226 171.646 PRESSAVG: 3227600 17.0887 -60.7094 -41.847 -60.7095 -36.7343 15.9189 -41.847 15.9189 -0.712904 GPRESSAVG: 3227600 16.3756 -61.1739 -40.5237 -62.3929 -37.6751 15.1788 -40.6085 15.0704 0.358853 TIMING: 3227600 CPU: 10199.7, 0.00316527/step Wall: 10199.7, 0.00316527/step, 1.55837 hours remaining, 238.234375 MB of memory in use. ENERGY: 3227600 3998.2144 20465.5449 14395.2349 247.5337 -203357.0158 2674.0976 0.0000 0.0000 51692.6152 -109883.7751 297.0782 -161576.3902 -109514.5219 297.9150 39.0232 67.3547 763859.1419 -6.7862 -6.9802 PRESSURE: 3227800 201.083 -6.48612 118.838 -6.48538 145.495 -142.83 118.838 -142.831 -69.1648 GPRESSURE: 3227800 265.219 80.0915 132.176 -144.39 114.219 -47.8168 151.942 -212.683 -19.0249 PRESSAVG: 3227800 -23.3511 -31.8992 -16.2435 -31.8992 -29.5232 -0.552431 -16.2435 -0.552448 -17.4282 GPRESSAVG: 3227800 -22.9623 -31.2315 -17.8324 -30.544 -29.0809 -0.39456 -15.9124 0.835956 -18.4932 TIMING: 3227800 CPU: 10200.3, 0.00316359/step Wall: 10200.3, 0.00316359/step, 1.55736 hours remaining, 238.234375 MB of memory in use. ENERGY: 3227800 3929.4843 20481.6444 14369.0774 235.8768 -203322.9611 2725.0217 0.0000 0.0000 51900.3771 -109681.4794 298.2722 -161581.8565 -109330.1328 298.4053 92.4710 120.1377 762336.0178 -23.4342 -23.5121 PRESSURE: 3228000 -162.636 -125.943 -4.88617 -125.943 307.834 179.039 -4.88695 179.039 153.411 GPRESSURE: 3228000 -47.1113 -110.753 -87.9077 -82.066 286.171 160.692 32.5707 54.9328 132.313 PRESSAVG: 3228000 -1.83238 -70.7053 -34.9504 -70.7053 -21.6702 -8.18101 -34.9504 -8.1811 17.5033 GPRESSAVG: 3228000 -3.01257 -70.1159 -33.8931 -70.0518 -21.3718 -8.31194 -35.6836 -8.38269 18.2996 TIMING: 3228000 CPU: 10201, 0.00317855/step Wall: 10201, 0.00317855/step, 1.56455 hours remaining, 238.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3228000 3945.0018 20510.8610 14445.1714 244.8619 -203427.0784 2756.8970 0.0000 0.0000 51892.4760 -109631.8093 298.2268 -161524.2853 -109279.1758 298.4558 99.5361 123.7907 762444.8754 -1.9997 -2.0282 PRESSURE: 3228200 -148.947 -72.5138 83.9015 -72.5137 -131.141 116.68 83.9008 116.681 -506.863 GPRESSURE: 3228200 -184.245 -104.69 59.1646 102.103 -52.8289 62.5804 117.237 136.649 -483.092 PRESSAVG: 3228200 -31.9049 -40.6647 11.3195 -40.6646 5.32777 -36.3811 11.3195 -36.3812 -26.4385 GPRESSAVG: 3228200 -32.9449 -43.5407 10.0562 -39.9803 5.91284 -35.8171 11.9134 -39.0666 -25.5981 TIMING: 3228200 CPU: 10201.6, 0.00318167/step Wall: 10201.6, 0.00318167/step, 1.56591 hours remaining, 238.234375 MB of memory in use. ENERGY: 3228200 4002.1062 20621.9968 14391.0008 241.9309 -203037.9132 2335.1594 0.0000 0.0000 51887.3553 -109558.3639 298.1973 -161445.7191 -109204.5115 298.7096 -262.3168 -240.0554 764074.5973 -17.6719 -17.5434 LDB: ============= START OF LOAD BALANCING ============== 10214 LDB: ============== END OF LOAD BALANCING =============== 10214 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10214 LDB: ============= START OF LOAD BALANCING ============== 10214.3 LDB: Largest compute 7058 load 0.031542 is 16.1% of average load 0.196126 LDB: Average compute 0.004381 is 2.2% of average load 0.196126 LDB: TIME 10214.3 LOAD: AVG 0.196126 MAX 0.217046 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.547 MB LDB: TIME 10214.3 LOAD: AVG 0.196126 MAX 0.217046 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: TIME 10214.3 LOAD: AVG 0.196126 MAX 0.217046 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: ============== END OF LOAD BALANCING =============== 10214.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10214.3 PRESSURE: 3228400 -148.6 -1.29606 195.448 -1.29612 -130.043 111.571 195.448 111.571 -243.476 GPRESSURE: 3228400 -103.553 64.3646 136.23 -3.99653 -135.221 321.382 101.671 124.689 -211.264 PRESSAVG: 3228400 -23.1022 -95.6432 4.51781 -95.6432 -1.75101 -18.9915 4.51785 -18.9916 28.4556 GPRESSAVG: 3228400 -21.5379 -94.048 5.87594 -95.3203 -2.16422 -17.8736 5.25035 -19.1244 27.2275 TIMING: 3228400 CPU: 10202.3, 0.00322932/step Wall: 10202.3, 0.00322932/step, 1.58919 hours remaining, 238.613281 MB of memory in use. ENERGY: 3228400 4093.3054 20560.6519 14365.1203 251.6619 -203657.1689 2842.6422 0.0000 0.0000 51929.7437 -109614.0435 298.4410 -161543.7871 -109249.4158 298.4052 -174.0398 -150.0124 762636.6331 1.2008 1.1751 PRESSURE: 3228600 421.686 -6.2563 -181.676 -6.25652 -99.6934 -64.3735 -181.677 -64.3734 -250.294 GPRESSURE: 3228600 474.494 99.7733 -100.019 -21.5757 -94.9175 -70.6012 -172.74 -155.834 -201.292 PRESSAVG: 3228600 52.7916 -50.0552 -1.01729 -50.0551 -53.771 -48.103 -1.01724 -48.1031 -5.01372 GPRESSAVG: 3228600 52.3193 -48.914 -1.85609 -51.6931 -54.0171 -49.0109 -3.27668 -45.1948 -4.29415 TIMING: 3228600 CPU: 10202.9, 0.00317283/step Wall: 10202.9, 0.00317283/step, 1.56121 hours remaining, 238.816406 MB of memory in use. ENERGY: 3228600 3990.9233 20322.5329 14409.1076 246.8643 -203675.7552 2794.0906 0.0000 0.0000 52163.1861 -109749.0504 299.7825 -161912.2365 -109375.3910 298.5139 23.8994 59.4282 762777.7619 -1.9977 -1.9973 PRESSURE: 3228800 -398.365 -97.2671 145.896 -97.2674 -117.944 -121.096 145.896 -121.095 -605.047 GPRESSURE: 3228800 -320.651 -76.3476 152.632 -136.182 -125.706 -40.1249 175.88 -108.64 -559.225 PRESSAVG: 3228800 -57.9196 -12.0955 -13.705 -12.0954 45.6363 -7.53248 -13.705 -7.53249 -0.236721 GPRESSAVG: 3228800 -57.5845 -12.0719 -11.8947 -10.9769 46.0627 -8.00985 -10.715 -9.42883 -1.27201 TIMING: 3228800 CPU: 10203.5, 0.00316064/step Wall: 10203.5, 0.00316064/step, 1.55503 hours remaining, 238.816406 MB of memory in use. ENERGY: 3228800 3948.4029 20535.2167 14361.8404 243.3163 -203354.1560 2483.8291 0.0000 0.0000 51835.9100 -109945.6407 297.9017 -161781.5507 -109587.4790 297.9072 -373.7851 -335.1938 762895.9652 -4.1733 -4.2646 PRESSURE: 3229000 -388.139 -33.0048 -52.9762 -33.0048 -117.13 5.74377 -52.9764 5.7438 -531.19 GPRESSURE: 3229000 -309.448 -62.7891 -145.954 -152.427 -72.01 5.19513 -166.722 121.967 -566.663 PRESSAVG: 3229000 5.50236 -31.1103 -54.0482 -31.1103 -12.689 -26.6991 -54.0482 -26.6992 -11.5516 GPRESSAVG: 3229000 3.9261 -32.7223 -56.6793 -31.353 -11.8625 -25.8264 -54.1565 -24.5734 -11.5208 TIMING: 3229000 CPU: 10204.2, 0.00314926/step Wall: 10204.2, 0.00314926/step, 1.54926 hours remaining, 238.816406 MB of memory in use. ENERGY: 3229000 4096.7635 20409.6178 14437.2668 240.3788 -203441.7036 2669.5142 0.0000 0.0000 51746.1959 -109841.9667 297.3861 -161588.1626 -109485.7379 298.2302 -345.4862 -316.0404 761925.1101 -6.2461 -6.4857 PRESSURE: 3229200 123.624 65.6154 -78.9397 65.6155 -87.3335 40.1585 -78.9398 40.1583 188.439 GPRESSURE: 3229200 93.495 107.791 17.9925 -34.6596 -22.1589 39.3112 -25.047 40.2158 216.406 PRESSAVG: 3229200 -11.6575 16.2175 -65.8061 16.2175 -13.6169 27.1992 -65.806 27.1991 -5.15534 GPRESSAVG: 3229200 -11.6696 16.8613 -62.4823 14.3501 -13.7786 27.076 -68.3265 26.8836 -4.91983 TIMING: 3229200 CPU: 10204.8, 0.00316978/step Wall: 10204.8, 0.00316978/step, 1.55918 hours remaining, 238.816406 MB of memory in use. ENERGY: 3229200 4006.2006 20494.6622 14351.5807 249.2220 -203567.0696 2868.7424 0.0000 0.0000 51898.7959 -109697.8658 298.2631 -161596.6618 -109339.6983 298.1649 74.9099 95.9141 762579.8970 -10.1432 -10.1227 PRESSURE: 3229400 34.5047 8.99417 -217.139 8.99382 220.799 -193.83 -217.138 -193.831 -11.8273 GPRESSURE: 3229400 98.5253 -87.5299 -222.425 45.4288 274.766 -181.332 -209.652 -74.7894 -62.4599 PRESSAVG: 3229400 24.8077 -46.7797 -32.1836 -46.7796 -50.6139 -65.7961 -32.1836 -65.7962 7.4331 GPRESSAVG: 3229400 25.5881 -44.9822 -34.3283 -44.8903 -51.0438 -66.1615 -30.8454 -65.6272 7.00383 TIMING: 3229400 CPU: 10205.4, 0.00317097/step Wall: 10205.4, 0.00317097/step, 1.55959 hours remaining, 238.816406 MB of memory in use. ENERGY: 3229400 4046.5969 20632.5539 14415.6428 243.5301 -203469.5747 2665.1001 0.0000 0.0000 51872.2964 -109593.8546 298.1108 -161466.1510 -109238.1840 298.6624 81.1588 103.6105 762025.8659 -6.1244 -6.1506 PRESSURE: 3229600 99.5981 -158.2 156.397 -158.201 238.531 -132.256 156.398 -132.258 313.971 GPRESSURE: 3229600 166.036 -140.229 22.8617 -50.8167 232.229 -46.0331 91.9057 -53.3859 341.037 PRESSAVG: 3229600 -9.01806 -41.3169 -0.742011 -41.3169 -10.1035 -7.67632 -0.741992 -7.67636 24.6627 GPRESSAVG: 3229600 -8.89089 -43.3773 0.341571 -39.6789 -9.79331 -6.97545 0.354978 -9.78521 24.7374 TIMING: 3229600 CPU: 10206.1, 0.00314979/step Wall: 10206.1, 0.00314979/step, 1.54899 hours remaining, 238.816406 MB of memory in use. ENERGY: 3229600 4029.9073 20595.3358 14523.9323 240.9660 -203839.9485 2955.2786 0.0000 0.0000 51812.8818 -109681.6467 297.7693 -161494.5285 -109330.8897 298.4811 217.3664 246.4338 760169.0635 1.8471 2.0177 PRESSURE: 3229800 112.251 -72.1481 -39.0077 -72.1491 8.94322 -114.426 -39.0079 -114.426 10.1952 GPRESSURE: 3229800 47.6795 -70.3724 77.4376 -49.4261 154.481 -109.658 -110.515 -122.108 15.3002 PRESSAVG: 3229800 37.4039 -4.09375 -1.51028 -4.09377 1.37602 12.695 -1.51031 12.6951 -23.1427 GPRESSAVG: 3229800 36.8695 -4.3027 -1.85615 -5.38793 1.33908 10.9395 -4.29113 13.6242 -21.8558 TIMING: 3229800 CPU: 10206.7, 0.00316624/step Wall: 10206.7, 0.00316624/step, 1.55691 hours remaining, 238.816406 MB of memory in use. ENERGY: 3229800 3933.6624 20537.4701 14491.8315 249.3392 -203760.3452 2900.2501 0.0000 0.0000 51934.4984 -109713.2933 298.4683 -161647.7917 -109361.4053 298.7857 43.7966 72.4867 761574.9268 5.2124 5.4509 PRESSURE: 3230000 -129.486 21.8367 -156.363 21.8366 -57.0071 192.548 -156.363 192.548 -144.483 GPRESSURE: 3230000 -97.4926 29.5285 -135.351 97.7685 -25.8746 133.166 -42.8607 234.366 -134.944 PRESSAVG: 3230000 51.6225 3.50242 -23.94 3.50239 -29.5748 -38.4214 -23.9401 -38.4213 -4.69587 GPRESSAVG: 3230000 51.8392 4.15361 -23.6153 3.03791 -29.0826 -37.5566 -21.5908 -38.1116 -5.68553 TIMING: 3230000 CPU: 10207.3, 0.00314475/step Wall: 10207.3, 0.00314475/step, 1.54617 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3230000 3911.6954 20534.6069 14394.6614 243.8913 -203720.2866 2730.5503 0.0000 0.0000 52129.4238 -109775.4575 299.5885 -161904.8813 -109408.1951 298.4411 -110.3253 -86.1039 761496.8111 5.7839 5.6904 PRESSURE: 3230200 221.978 168.835 8.17826 168.834 -99.7166 0.55049 8.17834 0.549678 -18.0888 GPRESSURE: 3230200 198.411 60.3558 -78.3424 137.198 -73.2244 64.4276 174.768 -54.1503 60.7043 PRESSAVG: 3230200 38.7143 -24.8181 26.7888 -24.8181 -35.0077 -2.53032 26.7888 -2.53034 6.7433 GPRESSAVG: 3230200 38.2471 -26.7097 27.1136 -26.108 -34.3431 -2.91309 26.2347 -2.26658 6.34751 TIMING: 3230200 CPU: 10207.9, 0.00315363/step Wall: 10207.9, 0.00315363/step, 1.55036 hours remaining, 238.816406 MB of memory in use. ENERGY: 3230200 3998.1183 20526.3095 14410.2709 244.5066 -203866.3893 2894.2753 0.0000 0.0000 51943.5359 -109849.3728 298.5202 -161792.9087 -109494.7821 298.4633 34.7243 61.9635 760983.7468 3.4833 3.4172 PRESSURE: 3230400 -515.163 -119.689 163.223 -119.688 -242.979 -145.636 163.223 -145.635 -241.149 GPRESSURE: 3230400 -363.397 -74.1776 165.116 -10.9073 -284.01 -92.337 131.579 -130.303 -268.363 PRESSAVG: 3230400 19.4002 6.47907 21.1871 6.47907 -1.73298 -18.4131 21.1871 -18.4131 7.2848 GPRESSAVG: 3230400 19.701 9.6439 20.0779 8.74205 -2.81499 -17.7924 20.1973 -17.7756 7.73336 TIMING: 3230400 CPU: 10208.6, 0.00315385/step Wall: 10208.6, 0.00315385/step, 1.55029 hours remaining, 238.816406 MB of memory in use. ENERGY: 3230400 3995.0986 20538.5433 14349.3361 248.4742 -203310.2856 2519.7594 0.0000 0.0000 51886.0382 -109773.0357 298.1898 -161659.0740 -109410.0217 298.5610 -333.0971 -305.2565 761700.8173 8.3173 8.2065 PRESSURE: 3230600 -151.497 -64.3705 -116.336 -64.3695 303.325 -169.808 -116.335 -169.808 -112.249 GPRESSURE: 3230600 -71.9736 -95.5388 -138.604 -33.8296 304.309 -134.73 -87.7387 -124.205 -93.8392 PRESSAVG: 3230600 -11.1749 -9.4577 8.47465 -9.4577 -22.2531 -37.7934 8.47463 -37.7933 5.25534 GPRESSAVG: 3230600 -11.5153 -11.2229 8.44853 -10.0577 -22.0643 -38.9677 11.2137 -38.0176 4.86492 TIMING: 3230600 CPU: 10209.2, 0.00316661/step Wall: 10209.2, 0.00316661/step, 1.55639 hours remaining, 238.816406 MB of memory in use. ENERGY: 3230600 3995.9993 20512.6841 14415.9438 233.5135 -203686.4867 2866.8177 0.0000 0.0000 51961.0278 -109700.5004 298.6207 -161661.5282 -109336.4735 298.6008 13.1932 46.1654 762613.8732 -9.3909 -9.5716 PRESSURE: 3230800 -54.7944 46.0252 1.83268 46.0247 186.69 -247.569 1.83383 -247.569 -90.5819 GPRESSURE: 3230800 134.075 59.4596 -14.0839 -31.7045 125.531 -255.268 -201.281 -309.09 -116.244 PRESSAVG: 3230800 20.7727 27.4854 45.4962 27.4854 -48.4803 -14.2092 45.4961 -14.2091 -14.7065 GPRESSAVG: 3230800 21.2033 28.6781 47.3015 26.3063 -49.1176 -11.204 44.0485 -15.099 -14.6817 TIMING: 3230800 CPU: 10209.8, 0.00314432/step Wall: 10209.8, 0.00314432/step, 1.54526 hours remaining, 238.816406 MB of memory in use. ENERGY: 3230800 3927.7340 20457.5667 14448.9720 223.5883 -203710.8058 2898.4040 0.0000 0.0000 52054.5264 -109700.0143 299.1581 -161754.5407 -109331.1854 298.8596 13.7712 47.7875 762808.3075 -14.1381 -14.1987 PRESSURE: 3231000 32.1573 -45.183 -7.29551 -45.1827 -178.632 -114.154 -7.29568 -114.154 -342.261 GPRESSURE: 3231000 25.3251 49.6465 -39.8639 23.6494 -168.122 -96.6665 -21.0291 -120.081 -265.193 PRESSAVG: 3231000 54.7828 -73.3631 4.04661 -73.363 -24.887 -90.7333 4.04668 -90.7333 9.53641 GPRESSAVG: 3231000 55.7893 -74.9619 3.0785 -71.5435 -24.5083 -92.5543 3.88185 -90.4237 8.27442 TIMING: 3231000 CPU: 10210.5, 0.00313683/step Wall: 10210.5, 0.00313683/step, 1.5414 hours remaining, 238.816406 MB of memory in use. ENERGY: 3231000 3986.6145 20597.7790 14460.5810 258.2302 -203918.0339 2864.8894 0.0000 0.0000 52076.5180 -109673.4218 299.2845 -161749.9398 -109314.3971 299.2156 -162.9121 -135.9967 763656.4169 13.1441 13.1851 PRESSURE: 3231200 275.876 -24.2114 -289.273 -24.2116 -6.67317 -115.153 -289.273 -115.154 475.139 GPRESSURE: 3231200 264.703 44.2504 -361.298 -1.78799 103.54 -80.1642 -285.583 -53.5354 460.766 PRESSAVG: 3231200 -4.93892 23.8167 -11.7994 23.8168 -21.5907 -64.4912 -11.7994 -64.4912 1.89599 GPRESSAVG: 3231200 -6.39278 26.6889 -11.5077 21.9342 -22.5845 -64.0524 -12.6168 -66.624 3.56466 TIMING: 3231200 CPU: 10211.1, 0.00315669/step Wall: 10211.1, 0.00315669/step, 1.55099 hours remaining, 238.816406 MB of memory in use. ENERGY: 3231200 3929.6458 20647.8237 14392.3693 236.4468 -203806.1867 3021.3185 0.0000 0.0000 52087.2504 -109491.3322 299.3461 -161578.5827 -109138.5584 299.1122 248.1138 276.3362 761691.5420 -8.2112 -8.4709 PRESSURE: 3231400 65.4943 -66.7654 55.512 -66.7644 70.7641 57.1632 55.513 57.162 -140.326 GPRESSURE: 3231400 16.3198 -2.45687 61.5022 -47.9163 111.975 67.1915 -58.7551 55.5929 -39.9266 PRESSAVG: 3231400 -47.8024 -1.67104 -9.31516 -1.671 14.4192 -25.4593 -9.31514 -25.4593 -20.313 GPRESSAVG: 3231400 -47.1299 -2.76102 -10.771 -0.81831 13.5206 -26.1822 -8.09845 -23.1301 -19.8082 TIMING: 3231400 CPU: 10211.7, 0.00317183/step Wall: 10211.7, 0.00317183/step, 1.55825 hours remaining, 238.816406 MB of memory in use. ENERGY: 3231400 4056.2764 20442.4326 14372.9177 253.3711 -203077.1415 2570.9321 0.0000 0.0000 51954.2266 -109426.9851 298.5817 -161381.2117 -109071.2890 299.2366 -1.3560 29.4561 763557.3770 -17.8987 -17.8058 PRESSURE: 3231600 116.873 -119.881 -26.623 -119.881 -137.497 -28.1947 -26.6237 -28.1949 312.03 GPRESSURE: 3231600 102.275 -211.966 47.1147 -23.5013 -53.2217 -113.844 -57.9394 -69.5354 335.674 PRESSAVG: 3231600 43.0385 21.0422 -34.3047 21.0421 -21.5232 -0.585852 -34.3047 -0.58577 32.4044 GPRESSAVG: 3231600 42.5551 20.2698 -32.499 21.1216 -19.5619 -1.47281 -36.5885 -1.24004 30.8382 TIMING: 3231600 CPU: 10212.4, 0.00316712/step Wall: 10212.4, 0.00316712/step, 1.55576 hours remaining, 238.816406 MB of memory in use. ENERGY: 3231600 3969.3208 20321.2365 14509.2690 265.5937 -203477.2581 3036.5140 0.0000 0.0000 51987.7506 -109387.5735 298.7743 -161375.3241 -109027.7505 299.2022 97.1353 128.2426 763584.5658 17.9732 17.9438 PRESSURE: 3231800 -169.071 -69.4996 228.278 -69.4998 -467.997 118.577 228.278 118.578 359.417 GPRESSURE: 3231800 -121.292 -64.4348 152.814 -109.744 -441.232 74.7532 207.438 98.2534 354.748 PRESSAVG: 3231800 12.0614 -29.2972 -8.61957 -29.2972 21.4807 -35.6592 -8.61959 -35.6592 1.55994 GPRESSAVG: 3231800 12.5502 -29.0435 -8.84567 -30.3499 21.52 -35.1276 -8.06861 -35.2565 1.07684 TIMING: 3231800 CPU: 10213, 0.00317115/step Wall: 10213, 0.00317115/step, 1.55756 hours remaining, 238.816406 MB of memory in use. ENERGY: 3231800 3987.5958 20522.8163 14443.1427 239.2769 -202844.6842 2361.9655 0.0000 0.0000 52192.9725 -109096.9145 299.9537 -161289.8870 -108730.4957 299.4195 -92.5505 -69.2587 763493.2422 11.7007 11.7157 PRESSURE: 3232000 -32.6983 -39.2832 -10.7572 -39.2823 -148.161 -99.919 -10.7568 -99.9196 -38.8704 GPRESSURE: 3232000 1.27123 -72.3802 -54.2619 -130.122 -53.3138 -171.524 -59.1865 -169.542 -86.9403 PRESSAVG: 3232000 -28.0576 -52.8929 -58.6939 -52.8928 27.5771 -61.9824 -58.6939 -61.9824 -2.3641 GPRESSAVG: 3232000 -26.4025 -53.123 -58.6949 -53.3311 25.6546 -61.5852 -56.9292 -61.6547 -1.73943 TIMING: 3232000 CPU: 10213.6, 0.00316878/step Wall: 10213.6, 0.00316878/step, 1.55622 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3232000 3942.6655 20744.1245 14407.9888 252.2844 -202610.6494 2279.6192 0.0000 0.0000 51951.6228 -109032.3444 298.5667 -160983.9671 -108675.3492 299.6687 -73.2433 -46.3276 764762.1968 -0.9482 -0.8291 PRESSURE: 3232200 -499.691 -86.2612 -202.034 -86.2615 -115.989 10.0262 -202.035 10.0258 48.0712 GPRESSURE: 3232200 -489.814 -200.518 -141.94 -46.8806 -104.182 30.8186 -221.53 -5.88757 94.6869 PRESSAVG: 3232200 36.8039 -29.6607 -13.7873 -29.6607 4.87703 -21.8314 -13.7872 -21.8315 18.9245 GPRESSAVG: 3232200 35.7882 -30.0544 -13.6896 -28.6711 5.57015 -21.8808 -14.4444 -22.7059 19.2921 TIMING: 3232200 CPU: 10214.3, 0.00318194/step Wall: 10214.3, 0.00318194/step, 1.56251 hours remaining, 238.816406 MB of memory in use. ENERGY: 3232200 3987.8725 20443.2219 14388.4330 240.0370 -202806.7812 2308.1120 0.0000 0.0000 52214.3991 -109224.7056 300.0769 -161439.1047 -108855.4151 299.3641 -189.2027 -166.4363 764446.9235 20.2018 20.2168 LDB: ============= START OF LOAD BALANCING ============== 10226.7 LDB: ============== END OF LOAD BALANCING =============== 10226.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10226.7 LDB: ============= START OF LOAD BALANCING ============== 10227 LDB: Largest compute 7055 load 0.033174 is 16.9% of average load 0.196106 LDB: Average compute 0.004379 is 2.2% of average load 0.196106 LDB: TIME 10227 LOAD: AVG 0.196106 MAX 0.217381 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 10227 LOAD: AVG 0.196106 MAX 0.217381 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 10227 LOAD: AVG 0.196106 MAX 0.217381 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 10227 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10227 PRESSURE: 3232400 -392.232 178.101 -98.0246 178.101 5.93924 46.7906 -98.0243 46.7908 79.9968 GPRESSURE: 3232400 -334.938 293.721 -230.391 244.467 68.5883 17.3842 40.7617 149.762 40.789 PRESSAVG: 3232400 -15.3914 1.41275 2.27194 1.41287 -42.9387 -39.7562 2.27189 -39.7562 27.3095 GPRESSAVG: 3232400 -15.977 2.59451 0.329619 1.08409 -41.8587 -40.4121 4.7385 -37.8472 26.8808 TIMING: 3232400 CPU: 10214.9, 0.00322686/step Wall: 10214.9, 0.00322686/step, 1.58439 hours remaining, 237.332031 MB of memory in use. ENERGY: 3232400 4020.6102 20584.1545 14423.3663 234.2543 -203238.0613 2618.6584 0.0000 0.0000 52185.9034 -109171.1143 299.9131 -161357.0177 -108804.3020 300.0543 -102.0986 -75.1870 762159.5568 -10.3402 -10.3183 PRESSURE: 3232600 -177.301 50.2146 -116.556 50.2143 -42.0914 153.106 -116.557 153.105 66.7377 GPRESSURE: 3232600 -151.515 -24.8652 -87.5359 -17.1504 -8.04716 162.257 -107.294 2.1564 104.958 PRESSAVG: 3232600 8.96283 -1.17038 -17.2181 -1.1704 -46.5156 15.8569 -17.2181 15.8569 -2.24888 GPRESSAVG: 3232600 9.48039 -3.42527 -15.99 1.14193 -46.8858 15.6869 -19.9526 14.9212 -1.95438 TIMING: 3232600 CPU: 10215.5, 0.00314152/step Wall: 10215.5, 0.00314152/step, 1.54231 hours remaining, 237.535156 MB of memory in use. ENERGY: 3232600 4068.9140 20282.2489 14480.1834 228.4437 -203514.3588 2924.6210 0.0000 0.0000 52335.2060 -109194.7418 300.7711 -161529.9478 -108825.8068 299.7665 -50.8849 -18.2014 762467.8362 -13.2672 -13.1199 PRESSURE: 3232800 82.2517 -215.098 -229.738 -215.098 -90.7715 -126.535 -229.739 -126.535 -72.3693 GPRESSURE: 3232800 -57.8457 -210.58 -191.987 -228.243 20.0503 -9.40724 -203.705 -79.1155 50.6388 PRESSAVG: 3232800 9.66963 8.14041 -69.9631 8.14038 -15.2455 5.35408 -69.9631 5.35409 4.76951 GPRESSAVG: 3232800 10.2269 10.113 -68.4803 3.9096 -16.2455 6.88878 -69.0628 5.01323 4.88925 TIMING: 3232800 CPU: 10216.2, 0.00314745/step Wall: 10216.2, 0.00314745/step, 1.54505 hours remaining, 237.535156 MB of memory in use. ENERGY: 3232800 3952.5950 20359.1674 14431.9660 229.3713 -203042.2981 2851.9684 0.0000 0.0000 51940.9895 -109276.2405 298.5056 -161217.2300 -108909.7761 299.2475 -26.9630 4.2811 762428.7627 -0.2688 -0.3765 PRESSURE: 3233000 -195.569 -48.763 -198.992 -48.7622 81.261 86.2277 -198.992 86.229 -43.3831 GPRESSURE: 3233000 -97.9235 -40.4815 -112.065 -68.0976 84.4942 79.9287 -77.7992 53.3669 -81.731 PRESSAVG: 3233000 40.9897 -49.2147 -1.82901 -49.2148 -27.5684 34.0658 -1.82903 34.0658 -4.47979 GPRESSAVG: 3233000 40.1387 -49.538 -2.91628 -46.8031 -27.2416 31.8827 -1.25066 34.321 -4.29794 TIMING: 3233000 CPU: 10216.8, 0.00314928/step Wall: 10216.8, 0.00314928/step, 1.54577 hours remaining, 237.535156 MB of memory in use. ENERGY: 3233000 3992.9488 20415.1080 14316.6776 254.6350 -203120.6535 2639.3072 0.0000 0.0000 51915.6120 -109586.3648 298.3597 -161501.9768 -109231.5138 298.9414 -52.5636 -31.7201 762324.0496 2.9805 2.8664 PRESSURE: 3233200 283.966 4.43886 16.5081 4.43933 -135.209 113.883 16.5078 113.883 46.3768 GPRESSURE: 3233200 373.094 34.9295 -104.821 -51.6758 -76.001 95.4294 112.902 188.208 -22.5053 PRESSAVG: 3233200 -5.89168 -40.1093 -13.5323 -40.1092 11.3581 27.7638 -13.5323 27.7638 11.6864 GPRESSAVG: 3233200 -5.21989 -41.5315 -13.877 -37.94 11.2466 28.8027 -13.2576 27.3237 11.2693 TIMING: 3233200 CPU: 10217.4, 0.00314153/step Wall: 10217.4, 0.00314153/step, 1.54179 hours remaining, 237.535156 MB of memory in use. ENERGY: 3233200 4026.7690 20507.0854 14465.6711 251.7118 -202912.8844 2445.5249 0.0000 0.0000 51912.6357 -109303.4864 298.3426 -161216.1221 -108949.3293 298.9386 65.0445 91.5291 762709.4046 5.7176 5.7653 PRESSURE: 3233400 5.46222 -75.2572 -24.0879 -75.2568 -217.743 228.653 -24.088 228.653 63.9848 GPRESSURE: 3233400 40.4319 -105.64 -42.3399 -40.1246 -216.48 143.01 -108.324 222.998 104.908 PRESSAVG: 3233400 30.7004 -50.7602 5.56292 -50.7603 -7.50217 -2.07118 5.56293 -2.07114 -2.44946 GPRESSAVG: 3233400 31.7628 -52.1681 5.59412 -53.7657 -8.24528 -2.55087 4.14318 -2.6103 -2.56165 TIMING: 3233400 CPU: 10218.1, 0.00315308/step Wall: 10218.1, 0.00315308/step, 1.54729 hours remaining, 237.535156 MB of memory in use. ENERGY: 3233400 3981.1468 20500.7208 14419.6597 244.9839 -203129.2674 2408.8742 0.0000 0.0000 52142.3225 -109431.5595 299.6626 -161573.8820 -109074.6448 298.9004 -49.4321 -23.7134 761619.9541 6.9163 6.9853 PRESSURE: 3233600 168.651 -25.3391 -169.23 -25.3393 257.958 -100.648 -169.23 -100.649 120.133 GPRESSURE: 3233600 190.19 63.8591 -202.225 12.0405 386.712 -116.176 -35.2741 -36.7274 47.0078 PRESSAVG: 3233600 27.699 -9.86842 -28.358 -9.86835 40.0408 8.79055 -28.358 8.79061 0.6166 GPRESSAVG: 3233600 26.1043 -9.50929 -26.855 -10.0893 41.0325 9.21254 -28.5861 9.0624 1.06569 TIMING: 3233600 CPU: 10218.7, 0.00316938/step Wall: 10218.7, 0.00316938/step, 1.55511 hours remaining, 237.535156 MB of memory in use. ENERGY: 3233600 3959.7578 20658.1797 14459.0538 226.3966 -203636.7557 2976.5710 0.0000 0.0000 51768.7258 -109588.0711 297.5156 -161356.7969 -109237.3708 299.0745 182.2472 207.9700 761244.7903 22.7854 22.7342 PRESSURE: 3233800 205.035 60.2607 -247.094 60.26 -14.6489 123.572 -247.094 123.571 -115.771 GPRESSURE: 3233800 249.464 -6.58506 -340.648 112.205 -11.7889 161.639 -212.747 58.5073 -84.8064 PRESSAVG: 3233800 -17.5154 -16.0239 -46.3982 -16.024 12.7211 -18.0024 -46.3982 -18.0025 -20.4683 GPRESSAVG: 3233800 -17.9864 -17.242 -48.2406 -16.2233 13.3424 -18.439 -43.4061 -16.811 -20.0092 TIMING: 3233800 CPU: 10219.3, 0.00316442/step Wall: 10219.3, 0.00316442/step, 1.5525 hours remaining, 237.535156 MB of memory in use. ENERGY: 3233800 4031.3303 20375.1618 14427.3860 247.2734 -203382.8824 2610.3121 0.0000 0.0000 51885.4586 -109805.9601 298.1864 -161691.4187 -109444.6873 298.6729 24.8718 50.9562 761819.8547 -8.4209 -8.2177 PRESSURE: 3234000 -222.677 -118.071 -24.8137 -118.072 -12.9452 -192.821 -24.813 -192.822 -14.0155 GPRESSURE: 3234000 -205.034 -116.364 -15.8692 -33.3796 104.17 -209.525 -0.972935 -164.23 -56.0542 PRESSAVG: 3234000 -11.9482 -24.6226 -58.4002 -24.6226 -3.36666 9.19229 -58.4002 9.19226 4.93333 GPRESSAVG: 3234000 -10.4324 -23.5093 -56.821 -23.3013 -3.94702 9.71445 -60.2985 6.22967 3.92952 TIMING: 3234000 CPU: 10220, 0.00315902/step Wall: 10220, 0.00315902/step, 1.54967 hours remaining, 237.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3234000 3918.9607 20426.7019 14338.3855 240.5597 -203429.4947 2591.1852 0.0000 0.0000 52167.7629 -109745.9387 299.8089 -161913.7016 -109373.4157 298.5008 -83.2127 -52.3059 761305.1770 -3.4605 -3.4833 PRESSURE: 3234200 -311.29 75.5206 -373.241 75.5207 85.4187 -79.2068 -373.241 -79.2069 8.75151 GPRESSURE: 3234200 -288.243 111.688 -300.982 39.5008 154.69 -53.6959 -326.263 -100.087 -0.188478 PRESSAVG: 3234200 15.9575 -100.197 -25.3312 -100.197 -22.3756 -45.8928 -25.3312 -45.8928 10.9028 GPRESSAVG: 3234200 15.3417 -98.027 -25.753 -102.21 -21.9718 -46.4328 -25.2522 -44.7492 11.1678 TIMING: 3234200 CPU: 10220.6, 0.00315815/step Wall: 10220.6, 0.00315815/step, 1.54907 hours remaining, 237.535156 MB of memory in use. ENERGY: 3234200 3997.0054 20520.7651 14420.2309 240.7401 -203026.8901 2418.6416 0.0000 0.0000 51725.7185 -109703.7885 297.2684 -161429.5069 -109351.7373 298.8106 -72.3732 -44.5806 761260.9971 1.4949 1.5126 PRESSURE: 3234400 -390.376 -246.294 -177.224 -246.294 16.4983 -57.763 -177.223 -57.7631 770.756 GPRESSURE: 3234400 -340.173 -145.542 -110.324 -209.487 95.2539 -49.2225 -216.525 11.1937 704.008 PRESSAVG: 3234400 14.4353 -37.2828 -72.3893 -37.2828 -21.5113 -7.81327 -72.3893 -7.81327 18.7671 GPRESSAVG: 3234400 14.1204 -38.9311 -71.1468 -37.7035 -20.3523 -8.01608 -72.6968 -5.56285 17.8029 TIMING: 3234400 CPU: 10221.2, 0.00316279/step Wall: 10221.2, 0.00316279/step, 1.55117 hours remaining, 237.535156 MB of memory in use. ENERGY: 3234400 4004.6499 20697.3938 14402.6391 264.9087 -203488.5564 2450.3243 0.0000 0.0000 51947.8300 -109720.8106 298.5449 -161668.6406 -109358.5985 298.9284 132.2928 153.0298 760833.4049 3.8970 3.8570 PRESSURE: 3234600 54.4314 -2.79268 -203.584 -2.79273 -105.652 -64.2075 -203.584 -64.2082 -182.413 GPRESSURE: 3234600 122.237 -58.1909 -65.199 -29.0955 -144.275 -11.9897 -118.226 -33.4697 -127.512 PRESSAVG: 3234600 8.94293 -90.418 -101.287 -90.4179 -50.5792 2.94608 -101.287 2.94614 5.42315 GPRESSAVG: 3234600 9.50784 -90.6021 -102.507 -91.7566 -51.9107 4.968 -100.407 1.09851 5.46987 TIMING: 3234600 CPU: 10221.9, 0.00314233/step Wall: 10221.9, 0.00314233/step, 1.54096 hours remaining, 237.535156 MB of memory in use. ENERGY: 3234600 3998.7880 20414.4063 14430.2309 229.5829 -203531.9081 2523.4733 0.0000 0.0000 52177.8604 -109757.5663 299.8669 -161935.4267 -109385.5750 298.3566 -77.8778 -49.8501 762486.5856 -12.0710 -12.3110 PRESSURE: 3234800 28.8521 -350.359 292.193 -350.36 -87.5116 -239.87 292.193 -239.871 83.4569 GPRESSURE: 3234800 36.1918 -309.407 366.28 -249.106 -41.777 -279.189 137.309 -234.904 92.9051 PRESSAVG: 3234800 50.9101 -93.651 -81.4686 -93.6509 -12.4482 -25.698 -81.4686 -25.6979 -23.6017 GPRESSAVG: 3234800 51.2345 -93.3108 -81.2466 -90.1931 -13.7202 -28.6335 -80.8428 -26.2305 -22.533 TIMING: 3234800 CPU: 10222.5, 0.00312675/step Wall: 10222.5, 0.00312675/step, 1.53315 hours remaining, 237.535156 MB of memory in use. ENERGY: 3234800 3966.7276 20588.6513 14425.3867 241.7718 -203637.3581 2687.1024 0.0000 0.0000 52003.4236 -109724.2947 298.8644 -161727.7182 -109358.2211 298.7040 8.2658 29.1066 761907.0014 4.9534 4.9938 PRESSURE: 3235000 -76.7273 166.604 -63.6018 166.604 -308.029 231.013 -63.603 231.013 299.138 GPRESSURE: 3235000 -57.6659 83.567 -76.326 10.6681 -246.826 203.137 137.108 232.766 315.998 PRESSAVG: 3235000 11.6873 -61.7873 34.6425 -61.7873 -55.4585 -59.2949 34.6424 -59.2948 -12.8552 GPRESSAVG: 3235000 11.0638 -61.2801 33.7382 -64.6377 -54.3751 -58.4888 33.5558 -59.52 -13.1144 TIMING: 3235000 CPU: 10223.1, 0.00313707/step Wall: 10223.1, 0.00313707/step, 1.53804 hours remaining, 237.535156 MB of memory in use. ENERGY: 3235000 3972.7532 20517.3481 14425.3221 251.4965 -203558.7544 2702.5631 0.0000 0.0000 52199.9550 -109489.3163 299.9939 -161689.2713 -109129.1598 299.1287 -28.5394 3.8351 762422.3469 -18.8755 -18.8086 PRESSURE: 3235200 -120.04 -81.7205 -252.857 -81.7204 145.632 -115.436 -252.857 -115.436 247.36 GPRESSURE: 3235200 10.9055 -93.228 -297.965 -213.925 124.174 -215.313 -243.183 -118.171 237.81 PRESSAVG: 3235200 27.4355 -47.0191 -8.33436 -47.0191 -44.9277 -8.45156 -8.33437 -8.4515 1.34447 GPRESSAVG: 3235200 26.7101 -47.0423 -7.80927 -47.1776 -44.2504 -9.84981 -6.53696 -7.47711 1.74681 TIMING: 3235200 CPU: 10223.7, 0.0031386/step Wall: 10223.7, 0.0031386/step, 1.53861 hours remaining, 237.535156 MB of memory in use. ENERGY: 3235200 3941.7594 20576.1122 14386.8342 249.3838 -203373.5389 2712.3693 0.0000 0.0000 52156.9760 -109350.1039 299.7469 -161507.0799 -108996.7203 299.2414 90.9838 124.2967 763255.1428 -5.3826 -5.2645 PRESSURE: 3235400 -115.471 -68.2574 290.446 -68.2575 -244.532 -183.999 290.446 -183.998 -21.4718 GPRESSURE: 3235400 -20.5457 108.916 275.228 -97.7394 -239.162 -174.72 163.235 -270.295 -49.3812 PRESSAVG: 3235400 21.4856 -45.5251 37.5398 -45.5252 21.2382 -55.6864 37.5398 -55.6863 -16.3215 GPRESSAVG: 3235400 23.1006 -44.7314 36.5096 -43.7829 19.8963 -53.9401 34.5805 -57.3069 -16.3767 TIMING: 3235400 CPU: 10224.4, 0.00316513/step Wall: 10224.4, 0.00316513/step, 1.55144 hours remaining, 237.535156 MB of memory in use. ENERGY: 3235400 4095.3345 20586.3365 14426.3195 226.6598 -203275.9183 2613.1177 0.0000 0.0000 52089.6240 -109238.5262 299.3598 -161328.1502 -108873.0249 299.3361 -127.1583 -103.0295 763468.1090 8.8007 8.8734 PRESSURE: 3235600 -16.8552 7.14035 79.9346 7.1399 79.5148 -13.3845 79.9355 -13.3857 51.3993 GPRESSURE: 3235600 30.0329 -48.3952 93.3396 15.004 89.7099 10.1713 108.867 34.5685 71.4184 PRESSAVG: 3235600 24.9178 -30.2253 5.67342 -30.2253 -72.7187 -11.0192 5.67343 -11.0191 -3.14913 GPRESSAVG: 3235600 24.7415 -30.6016 7.68868 -32.4133 -71.9454 -12.9859 7.3356 -10.6866 -3.32308 TIMING: 3235600 CPU: 10225, 0.00315235/step Wall: 10225, 0.00315235/step, 1.545 hours remaining, 237.535156 MB of memory in use. ENERGY: 3235600 4001.1561 20486.7845 14452.8488 270.6381 -203479.3036 2775.6121 0.0000 0.0000 52204.7909 -109287.4730 300.0217 -161492.2639 -108927.0394 299.9367 38.0197 63.7204 763220.5211 -16.9833 -16.8423 PRESSURE: 3235800 49.5958 -48.296 123.728 -48.2972 -533.676 0.251922 123.728 0.25196 -135.988 GPRESSURE: 3235800 -4.49972 -223.307 126.862 -50.7239 -430.777 -34.85 130.252 40.9127 -87.4944 PRESSAVG: 3235800 17.6175 -22.5838 40.0046 -22.5838 -22.1671 44.4716 40.0047 44.4717 -3.89706 GPRESSAVG: 3235800 15.3371 -23.8813 39.1057 -20.4396 -21.0873 47.0313 41.223 43.6623 -2.59895 TIMING: 3235800 CPU: 10225.6, 0.00315984/step Wall: 10225.6, 0.00315984/step, 1.5485 hours remaining, 237.535156 MB of memory in use. ENERGY: 3235800 4017.0482 20609.5519 14374.4957 230.5914 -202884.7035 2272.2407 0.0000 0.0000 52091.3254 -109289.4502 299.3696 -161380.7756 -108932.2070 299.5711 -206.6895 -174.2572 762862.3237 -2.8155 -2.7830 PRESSURE: 3236000 -276.423 -174.328 -94.8207 -174.327 50.1408 186.922 -94.8211 186.923 -236.785 GPRESSURE: 3236000 -142.391 -225.046 -191.811 -78.746 9.93583 180.824 -92.3549 131.086 -250.875 PRESSAVG: 3236000 43.6688 -37.2442 -2.06445 -37.2442 -1.70946 -31.2052 -2.06443 -31.2052 31.4008 GPRESSAVG: 3236000 45.108 -37.3892 -2.062 -36.3215 -2.34245 -30.5612 -3.37663 -30.8379 30.681 TIMING: 3236000 CPU: 10226.3, 0.00315806/step Wall: 10226.3, 0.00315806/step, 1.54745 hours remaining, 237.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3236000 4045.6026 20614.5513 14388.9490 250.2313 -203125.7835 2439.3601 0.0000 0.0000 52061.7671 -109325.3221 299.1997 -161387.0892 -108971.3865 299.5259 -154.3556 -127.7770 762374.6554 24.4534 24.4822 PRESSURE: 3236200 -87.7394 75.5016 -82.768 75.5021 -181.095 -148.742 -82.7685 -148.741 -100.139 GPRESSURE: 3236200 -59.0159 35.9582 8.90208 103.935 -105.705 59.4314 -95.262 -100.366 -115.845 PRESSAVG: 3236200 84.0265 -51.1643 18.6046 -51.1643 -42.3593 48.2509 18.6047 48.2509 -0.768414 GPRESSAVG: 3236200 84.1251 -51.1323 19.5782 -51.1082 -43.1591 45.8626 18.2347 50.9071 0.236959 TIMING: 3236200 CPU: 10226.9, 0.00317324/step Wall: 10226.9, 0.00317324/step, 1.55471 hours remaining, 237.535156 MB of memory in use. ENERGY: 3236200 4002.3827 20637.0249 14393.0654 247.2478 -203406.5708 2874.7132 0.0000 0.0000 52043.2989 -109208.8379 299.0936 -161252.1369 -108836.4338 299.6841 -122.9908 -93.5219 764582.0356 13.6329 13.7343 LDB: ============= START OF LOAD BALANCING ============== 10239.3 LDB: ============== END OF LOAD BALANCING =============== 10239.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10239.3 LDB: ============= START OF LOAD BALANCING ============== 10239.6 LDB: Largest compute 7055 load 0.031780 is 16.2% of average load 0.196105 LDB: Average compute 0.004369 is 2.2% of average load 0.196105 LDB: TIME 10239.6 LOAD: AVG 0.196105 MAX 0.217382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 10239.6 LOAD: AVG 0.196105 MAX 0.217382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: TIME 10239.6 LOAD: AVG 0.196105 MAX 0.217382 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: ============== END OF LOAD BALANCING =============== 10239.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10239.6 PRESSURE: 3236400 -511.642 66.8029 67.3405 66.8024 6.98223 -40.9321 67.3407 -40.9328 -205.495 GPRESSURE: 3236400 -425.869 97.5549 -15.798 64.7591 20.6518 -87.8598 176.925 -95.3263 -223.727 PRESSAVG: 3236400 -6.62406 -37.4537 -3.83544 -37.4537 -19.9444 -42.8008 -3.83545 -42.8007 13.6126 GPRESSAVG: 3236400 -6.14884 -38.76 -5.86453 -37.2625 -18.837 -42.2339 -2.95252 -43.9081 12.2206 TIMING: 3236400 CPU: 10227.5, 0.00322846/step Wall: 10227.5, 0.00322846/step, 1.58158 hours remaining, 240.148438 MB of memory in use. ENERGY: 3236400 3994.1489 20685.1764 14520.4838 248.7121 -202936.7275 2289.4030 0.0000 0.0000 52075.3117 -109123.4915 299.2775 -161198.8033 -108760.3485 299.8974 -236.7184 -209.6480 763637.5025 -4.3186 -4.2551 PRESSURE: 3236600 58.3578 -96.3048 43.8831 -96.3043 98.4452 -292.838 43.8825 -292.838 5.82123 GPRESSURE: 3236600 66.4349 -165.972 14.5315 -82.9628 178.149 -362.184 -43.6672 -143.864 -0.986651 PRESSAVG: 3236600 1.75134 -40.3389 1.00657 -40.3389 -9.19288 -11.1273 1.00658 -11.1273 23.0744 GPRESSAVG: 3236600 0.570717 -39.8077 1.12675 -42.2202 -8.40307 -11.1344 -1.45631 -11.8274 23.1074 TIMING: 3236600 CPU: 10228.2, 0.00315921/step Wall: 10228.2, 0.00315921/step, 1.54749 hours remaining, 240.218750 MB of memory in use. ENERGY: 3236600 3954.9352 20548.2487 14487.0825 263.6143 -203128.6044 2465.5517 0.0000 0.0000 52242.2789 -109166.8932 300.2371 -161409.1720 -108799.2023 299.6301 54.2081 81.1991 761605.0111 5.2110 5.0917 PRESSURE: 3236800 296.113 -157.486 43.1477 -157.486 -43.6845 103.244 43.1469 103.245 -64.2216 GPRESSURE: 3236800 230.009 -65.038 67.1535 -193.52 -43.5646 113.228 27.7694 -47.8927 72.0535 PRESSAVG: 3236800 42.2794 -5.03376 -0.285297 -5.03371 -51.9684 -24.3616 -0.285284 -24.3616 -7.13047 GPRESSAVG: 3236800 42.6482 -5.7681 -0.123011 -2.93853 -52.0669 -25.0138 1.06464 -23.8977 -7.03831 TIMING: 3236800 CPU: 10228.8, 0.00315883/step Wall: 10228.8, 0.00315883/step, 1.54713 hours remaining, 240.218750 MB of memory in use. ENERGY: 3236800 3991.2789 20633.5731 14505.3590 244.3942 -203715.4253 2988.0566 0.0000 0.0000 52138.9067 -109213.8567 299.6430 -161352.7634 -108854.0910 299.7941 62.7358 86.1659 762564.4859 -5.6065 -5.4857 PRESSURE: 3237000 -37.0928 -257.536 -27.8472 -257.535 191.669 -131.461 -27.8473 -131.461 -25.1694 GPRESSURE: 3237000 -44.4586 -351.786 -37.3577 -239.784 154.199 -144.546 9.93884 -232.095 97.197 PRESSAVG: 3237000 47.6445 -32.1863 -22.4072 -32.1863 -6.40953 -17.5224 -22.4072 -17.5224 16.406 GPRESSAVG: 3237000 47.5362 -28.6884 -21.8558 -33.2134 -6.35035 -15.6949 -21.6536 -18.1474 16.8636 TIMING: 3237000 CPU: 10229.4, 0.00316899/step Wall: 10229.4, 0.00316899/step, 1.55192 hours remaining, 240.218750 MB of memory in use. ENERGY: 3237000 3977.6356 20591.4758 14410.8763 245.4973 -203554.4438 2629.8083 0.0000 0.0000 52297.3242 -109401.8263 300.5534 -161699.1506 -109039.0678 299.7984 43.1355 68.9792 762573.5314 19.2137 19.3498 PRESSURE: 3237200 -120.471 -205.095 142.888 -205.095 179.271 -96.7065 142.889 -96.7065 -146.384 GPRESSURE: 3237200 -69.4602 -209.005 66.8266 -181.502 202.479 -123.584 156.301 -121.107 -155.089 PRESSAVG: 3237200 70.3779 -9.47157 7.05766 -9.47159 -42.55 7.55956 7.05766 7.55964 -21.7311 GPRESSAVG: 3237200 70.7089 -14.1447 6.6303 -9.48015 -42.3792 6.28725 6.12538 6.20526 -22.1589 TIMING: 3237200 CPU: 10230.1, 0.00316943/step Wall: 10230.1, 0.00316943/step, 1.55196 hours remaining, 240.218750 MB of memory in use. ENERGY: 3237200 4029.9058 20530.5027 14448.2672 255.6611 -203560.4651 2781.0528 0.0000 0.0000 52184.8162 -109330.2592 299.9069 -161515.0754 -108973.0304 300.0196 -29.1947 -7.3567 761350.1285 2.0323 2.0569 PRESSURE: 3237400 -106.914 87.9814 142.446 87.9816 -367.279 -35.4594 142.446 -35.459 -257.587 GPRESSURE: 3237400 -76.4316 37.1352 136.922 78.583 -367.818 -46.3219 89.2843 94.4491 -204.086 PRESSAVG: 3237400 -0.554787 -34.8342 -26.5634 -34.8342 -11.4536 -19.6131 -26.5634 -19.613 3.95251 GPRESSAVG: 3237400 0.57724 -30.4738 -28.7294 -34.1318 -12.9381 -17.35 -27.109 -18.3273 3.91282 TIMING: 3237400 CPU: 10230.7, 0.00316562/step Wall: 10230.7, 0.00316562/step, 1.54992 hours remaining, 240.218750 MB of memory in use. ENERGY: 3237400 4078.5333 20584.0149 14485.1808 242.7750 -203285.8418 2379.8182 0.0000 0.0000 52362.8160 -109152.7037 300.9298 -161515.5196 -108788.2298 299.8029 -243.9267 -216.1119 761142.9966 -2.6853 -2.8160 PRESSURE: 3237600 -67.8614 -173.729 -64.9761 -173.73 176.61 114.08 -64.9759 114.08 45.4733 GPRESSURE: 3237600 114.165 -161.253 -134.76 -158.097 104.127 50.9044 -65.4298 239.873 27.4096 PRESSAVG: 3237600 61.4596 -73.5416 30.9288 -73.5416 -27.8961 -14.5902 30.9288 -14.5902 -30.9932 GPRESSAVG: 3237600 61.8609 -73.6254 32.7596 -75.5023 -27.2106 -15.5414 28.3731 -14.5088 -32.1169 TIMING: 3237600 CPU: 10231.3, 0.00315052/step Wall: 10231.3, 0.00315052/step, 1.54236 hours remaining, 240.218750 MB of memory in use. ENERGY: 3237600 4003.5042 20412.9810 14503.6731 269.3689 -203231.9469 2597.7248 0.0000 0.0000 52234.1739 -109210.5209 300.1905 -161444.6948 -108845.5992 300.1305 51.4074 81.9004 760012.7057 0.8568 0.8445 PRESSURE: 3237800 140.23 9.40999 -234.626 9.41007 -143.686 67.2023 -234.625 67.2016 438.083 GPRESSURE: 3237800 145.372 21.0339 -304.885 104.331 -24.9112 37.2045 -158.366 2.91721 391.047 PRESSAVG: 3237800 41.6231 -1.291 -44.6007 -1.29092 -55.6057 -16.0403 -44.6007 -16.0403 -0.531202 GPRESSAVG: 3237800 41.122 -1.7682 -45.6218 -1.25028 -55.3491 -15.4326 -42.0776 -15.8387 0.19463 TIMING: 3237800 CPU: 10232, 0.00318559/step Wall: 10232, 0.00318559/step, 1.55935 hours remaining, 240.218750 MB of memory in use. ENERGY: 3237800 4061.9144 20422.4760 14424.3501 250.6121 -203396.6817 2816.3052 0.0000 0.0000 52234.2783 -109186.7455 300.1911 -161421.0239 -108820.8704 300.0943 144.8757 170.5024 759926.9689 -4.8380 -4.6775 PRESSURE: 3238000 -187.269 36.2864 197.903 36.287 -191.164 27.0966 197.903 27.0966 -405.984 GPRESSURE: 3238000 -196.114 36.5088 194.899 76.0041 -117.032 32.0816 146.872 -13.4965 -410.476 PRESSAVG: 3238000 1.66297 -69.476 52.1206 -69.476 -37.3323 -40.0922 52.1206 -40.0922 -9.989 GPRESSAVG: 3238000 1.25871 -70.1959 53.8474 -67.9561 -37.1517 -41.7873 51.8667 -39.4958 -9.91988 TIMING: 3238000 CPU: 10232.6, 0.00315414/step Wall: 10232.6, 0.00315414/step, 1.54378 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3238000 4043.0641 20513.6754 14379.9961 255.2869 -203238.3244 2436.7799 0.0000 0.0000 52075.3372 -109534.1848 299.2777 -161609.5220 -109160.4932 299.0868 -261.4722 -241.2075 762126.4304 -15.2194 -15.2710 PRESSURE: 3238200 -282.628 -144.175 81.3228 -144.175 169.525 -48.0888 81.322 -48.0878 343.281 GPRESSURE: 3238200 -89.14 -161.092 116.786 -115.443 114.76 -60.4814 58.5034 41.6526 278.634 PRESSAVG: 3238200 22.0748 -34.4548 28.4175 -34.4548 3.11542 -6.53311 28.4175 -6.53316 -13.8191 GPRESSAVG: 3238200 22.8361 -35.1909 27.3143 -32.4069 1.52784 -6.96014 30.1637 -4.86621 -13.273 TIMING: 3238200 CPU: 10233.2, 0.00315652/step Wall: 10233.2, 0.00315652/step, 1.54477 hours remaining, 240.218750 MB of memory in use. ENERGY: 3238200 3950.5845 20538.2034 14463.5547 261.5895 -203505.2765 2785.5421 0.0000 0.0000 51819.4989 -109686.3035 297.8074 -161505.8024 -109326.0397 299.3672 76.7263 101.4182 761445.8733 3.7904 3.6970 PRESSURE: 3238400 527.041 -40.3579 -68.543 -40.3587 -6.77557 -169.902 -68.5432 -169.902 -112.963 GPRESSURE: 3238400 517.096 59.5866 -94.483 -127.338 69.2906 -257.259 -149.638 -85.6012 -94.3712 PRESSAVG: 3238400 82.6289 -43.6026 -26.6705 -43.6026 -74.2541 13.6687 -26.6705 13.6687 -38.4078 GPRESSAVG: 3238400 82.7635 -44.3176 -26.6342 -45.4133 -74.2832 14.2341 -26.7969 13.6553 -38.776 TIMING: 3238400 CPU: 10233.9, 0.0031547/step Wall: 10233.9, 0.0031547/step, 1.5437 hours remaining, 240.218750 MB of memory in use. ENERGY: 3238400 4012.4489 20577.9198 14470.7779 266.2232 -203692.7110 2722.5770 0.0000 0.0000 52137.4794 -109505.2848 299.6348 -161642.7642 -109139.8513 299.2907 135.7674 164.0051 762078.7356 -10.0110 -10.0986 PRESSURE: 3238600 -102.207 -48.0376 -95.1984 -48.0356 27.3355 100.9 -95.1982 100.899 -270.948 GPRESSURE: 3238600 -114.898 -45.8916 -46.2722 -83.1989 29.0128 138.178 -213.295 157.186 -178.043 PRESSAVG: 3238600 68.6761 -26.3059 -20.3913 -26.3059 -54.6489 -8.27124 -20.3912 -8.27127 -17.2474 GPRESSAVG: 3238600 67.7864 -24.6798 -19.3885 -27.0342 -53.798 -8.2391 -19.7238 -9.02897 -17.2603 TIMING: 3238600 CPU: 10234.5, 0.00315611/step Wall: 10234.5, 0.00315611/step, 1.54422 hours remaining, 240.218750 MB of memory in use. ENERGY: 3238600 4025.7581 20581.9875 14388.8768 248.9767 -203674.4032 2961.5010 0.0000 0.0000 52013.6255 -109453.6776 298.9230 -161467.3031 -109089.8824 299.1452 -115.2729 -87.9761 761926.1812 -1.0734 -1.0907 PRESSURE: 3238800 -206.561 42.1999 -5.79083 42.1999 -42.7882 39.6568 -5.7907 39.6567 -234.701 GPRESSURE: 3238800 -146.8 23.3828 91.3624 -7.15383 39.7202 -8.94298 -109.192 -43.506 -296.491 PRESSAVG: 3238800 47.1568 -45.8679 4.19501 -45.8679 -44.1886 -1.34057 4.19498 -1.3406 11.6499 GPRESSAVG: 3238800 47.934 -43.6524 3.80357 -47.3625 -44.9457 -0.717908 1.2869 -3.13623 11.3438 TIMING: 3238800 CPU: 10235.1, 0.00314477/step Wall: 10235.1, 0.00314477/step, 1.53849 hours remaining, 240.218750 MB of memory in use. ENERGY: 3238800 4036.3814 20624.4448 14409.6591 225.3017 -203114.5866 2439.2485 0.0000 0.0000 51887.1579 -109492.3932 298.1962 -161379.5511 -109119.2220 299.4201 -161.3501 -134.5234 763048.5398 4.8727 4.7774 PRESSURE: 3239000 -157.401 -138.822 96.8932 -138.823 293.754 185.184 96.892 185.184 149.688 GPRESSURE: 3239000 -48.4962 -246.343 74.2137 -137.078 262.066 235.706 51.6118 83.4128 161.212 PRESSAVG: 3239000 47.6824 -55.1426 47.3808 -55.1426 -38.021 -31.21 47.3807 -31.21 -4.69986 GPRESSAVG: 3239000 48.0463 -57.264 47.1458 -52.4604 -39.105 -31.3132 49.7523 -31.7334 -4.44362 TIMING: 3239000 CPU: 10235.8, 0.00317182/step Wall: 10235.8, 0.00317182/step, 1.55155 hours remaining, 240.218750 MB of memory in use. ENERGY: 3239000 3943.6212 20500.3588 14400.0983 257.6256 -203238.2667 2651.1684 0.0000 0.0000 51826.5309 -109658.8635 297.8478 -161485.3945 -109289.0223 299.4018 95.3469 124.9272 761897.1084 1.6538 1.4992 PRESSURE: 3239200 -41.4708 0.785045 -128.472 0.784567 -205.674 -251.252 -128.473 -251.253 -262.432 GPRESSURE: 3239200 55.0267 18.3016 -66.4735 78.7514 -260.426 -193.465 -170.221 -196.172 -214.944 PRESSAVG: 3239200 89.4141 -18.3176 -55.8739 -18.3176 -113.759 38.8872 -55.874 38.8871 2.63829 GPRESSAVG: 3239200 87.7973 -17.5066 -55.314 -19.2611 -112.284 38.6782 -57.2135 39.8099 2.34159 TIMING: 3239200 CPU: 10236.4, 0.00317158/step Wall: 10236.4, 0.00317158/step, 1.55125 hours remaining, 240.218750 MB of memory in use. ENERGY: 3239200 4006.7983 20205.0182 14493.3571 237.1478 -203105.1896 2542.4845 0.0000 0.0000 52241.1368 -109379.2468 300.2305 -161620.3836 -109005.2827 299.2500 -169.8590 -140.1147 764125.6915 -7.2356 -7.3818 PRESSURE: 3239400 216.878 148.592 3.75252 148.592 -216.098 47.0637 3.75306 47.0636 100.383 GPRESSURE: 3239400 251.915 177.009 -50.8613 220.177 -112.264 97.9698 45.8542 77.2749 26.0294 PRESSAVG: 3239400 60.4813 -53.9043 -9.03927 -53.9044 -71.3403 22.277 -9.03923 22.2771 2.08412 GPRESSAVG: 3239400 62.1976 -55.0925 -9.08771 -52.5313 -72.2696 21.9735 -7.69045 23.8259 0.901895 TIMING: 3239400 CPU: 10237, 0.00318453/step Wall: 10237, 0.00318453/step, 1.55741 hours remaining, 240.218750 MB of memory in use. ENERGY: 3239400 3973.4914 20486.2576 14452.4253 224.8845 -203491.8670 2778.9205 0.0000 0.0000 52339.3174 -109236.5702 300.7948 -161575.8877 -108870.4233 299.2223 33.7211 55.2269 762643.6093 -2.9250 -3.0567 PRESSURE: 3239600 -23.1581 -3.8 -75.0973 -3.80007 -46.5432 50.3038 -75.0971 50.3039 364.39 GPRESSURE: 3239600 -39.0554 26.1822 -12.2118 -109.062 44.9567 -127.924 -106.405 111.339 366.8 PRESSAVG: 3239600 77.3762 -35.2192 23.1137 -35.2192 -53.0398 4.43856 23.1137 4.43847 -0.848594 GPRESSAVG: 3239600 76.1415 -33.9001 22.0016 -37.1006 -52.5218 3.25652 21.614 4.85967 -0.0472251 TIMING: 3239600 CPU: 10237.7, 0.00316573/step Wall: 10237.7, 0.00316573/step, 1.54804 hours remaining, 240.218750 MB of memory in use. ENERGY: 3239600 3963.6356 20556.9452 14489.7413 268.6010 -203264.6695 2731.1347 0.0000 0.0000 52036.1506 -109218.4611 299.0525 -161254.6117 -108849.3977 299.5956 98.2296 124.2337 762484.8847 7.8293 7.8575 PRESSURE: 3239800 135.788 -88.766 193.154 -88.7652 -14.9923 24.5388 193.154 24.5402 -192.932 GPRESSURE: 3239800 59.7957 -29.9049 254.586 24.9089 39.337 -24.5211 333.711 20.3619 -83.9233 PRESSAVG: 3239800 -25.6356 -51.9065 33.2223 -51.9064 29.8939 -16.797 33.2223 -16.7971 -9.33223 GPRESSAVG: 3239800 -26.7823 -51.9909 32.3866 -49.9441 29.3363 -15.4164 33.7449 -19.0319 -8.20416 TIMING: 3239800 CPU: 10238.3, 0.00318019/step Wall: 10238.3, 0.00318019/step, 1.55494 hours remaining, 240.218750 MB of memory in use. ENERGY: 3239800 3927.9750 20439.6792 14446.8753 243.8499 -203361.3649 2694.2524 0.0000 0.0000 52180.8842 -109427.8489 299.8843 -161608.7331 -109065.1936 299.4149 -24.0452 5.0698 764035.3965 -1.6913 -1.8834 PRESSURE: 3240000 -66.8819 -90.5232 -8.75673 -90.5232 -51.6528 -40.2341 -8.75719 -40.2341 -289.256 GPRESSURE: 3240000 -21.2924 -63.4135 105.213 -88.1108 -4.76065 -35.8434 -57.6667 -104.425 -304.497 PRESSAVG: 3240000 41.6492 -48.2434 19.1495 -48.2434 18.6266 -50.0014 19.1495 -50.0014 3.69124 GPRESSAVG: 3240000 41.5598 -50.6838 21.3516 -47.4173 18.3041 -49.985 19.193 -48.9149 4.00927 TIMING: 3240000 CPU: 10238.9, 0.00316984/step Wall: 10238.9, 0.00316985/step, 1.5497 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3240000 3900.6710 20536.3118 14438.8578 250.7406 -203236.6161 2602.4754 0.0000 0.0000 52102.6450 -109404.9145 299.4346 -161507.5595 -109043.5046 299.6341 -135.9302 -110.1834 762763.8499 21.3223 21.2911 PRESSURE: 3240200 -305.53 -53.4089 -128.881 -53.4101 -299.659 273.738 -128.881 273.739 -144.554 GPRESSURE: 3240200 -215.492 -195.845 -9.71886 29.2335 -278.321 164.893 -29.7935 253.378 -178.822 PRESSAVG: 3240200 40.9081 -70.3051 19.7553 -70.3051 -26.4718 -47.7996 19.7553 -47.7996 7.09285 GPRESSAVG: 3240200 41.2149 -70.3004 18.9088 -70.9574 -26.3654 -47.7422 20.7163 -48.0066 6.68232 TIMING: 3240200 CPU: 10239.6, 0.00315853/step Wall: 10239.6, 0.00315853/step, 1.544 hours remaining, 240.218750 MB of memory in use. ENERGY: 3240200 3949.0736 20444.0884 14499.2096 248.7174 -203013.6151 2376.0900 0.0000 0.0000 51956.5386 -109539.8975 298.5949 -161496.4360 -109174.7137 298.6674 -249.9144 -224.2119 763544.2728 7.1764 7.1773 LDB: ============= START OF LOAD BALANCING ============== 10252 LDB: ============== END OF LOAD BALANCING =============== 10252 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10252 LDB: ============= START OF LOAD BALANCING ============== 10252.3 LDB: Largest compute 7060 load 0.031407 is 16.0% of average load 0.196088 LDB: Average compute 0.004392 is 2.2% of average load 0.196088 LDB: TIME 10252.3 LOAD: AVG 0.196088 MAX 0.215982 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 10252.3 LOAD: AVG 0.196088 MAX 0.215982 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: TIME 10252.3 LOAD: AVG 0.196088 MAX 0.215982 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: ============== END OF LOAD BALANCING =============== 10252.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10252.3 PRESSURE: 3240400 79.4215 -68.0163 309.481 -68.0156 -199.223 -185.294 309.481 -185.294 -144.371 GPRESSURE: 3240400 40.3925 -2.48021 258.036 -94.2693 -82.3864 -248.265 189.513 -58.5073 -144.835 PRESSAVG: 3240400 7.19418 -45.8806 -24.5501 -45.8805 -27.191 -22.9219 -24.5501 -22.9219 -24.9574 GPRESSAVG: 3240400 6.81717 -45.0206 -24.8657 -46.6606 -26.4975 -23.5082 -25.9223 -24.0405 -25.385 TIMING: 3240400 CPU: 10240.2, 0.00323467/step Wall: 10240.2, 0.00323467/step, 1.58103 hours remaining, 238.730469 MB of memory in use. ENERGY: 3240400 3987.8581 20510.5748 14429.8858 239.7463 -203466.1901 2511.1880 0.0000 0.0000 52152.0222 -109634.9149 299.7184 -161786.9372 -109279.0690 298.9859 -88.0574 -62.2763 760884.3422 -14.9847 -15.0218 PRESSURE: 3240600 -290.404 81.7483 -47.0025 81.7483 -164.075 -136.124 -47.0021 -136.125 -112.824 GPRESSURE: 3240600 -240.064 -20.7059 -38.7555 -24.7955 -174.682 -152.083 -21.6567 17.2194 -72.9298 PRESSAVG: 3240600 4.74817 -80.1659 -23.8942 -80.1659 5.81851 -9.02239 -23.8942 -9.02238 -7.27008 GPRESSAVG: 3240600 6.56138 -81.1022 -23.4246 -80.5438 5.41226 -9.12147 -23.1319 -7.0117 -8.32241 TIMING: 3240600 CPU: 10240.8, 0.00318282/step Wall: 10240.8, 0.00318282/step, 1.55552 hours remaining, 238.933594 MB of memory in use. ENERGY: 3240600 4100.7703 20654.5113 14536.6889 243.6856 -203650.0926 2673.8873 0.0000 0.0000 51774.8089 -109665.7405 297.5505 -161440.5494 -109313.9333 299.1364 -189.1009 -162.5587 761607.6938 1.0989 1.2171 PRESSURE: 3240800 -383.27 -76.619 -72.8824 -76.6186 -18.8332 82.1886 -72.8827 82.1874 101.807 GPRESSURE: 3240800 -382.561 -92.8137 -46.7828 -100.567 1.92574 91.3907 -80.6022 66.1678 165.213 PRESSAVG: 3240800 -42.3686 -38.6925 34.9356 -38.6925 29.5205 -35.9847 34.9355 -35.9847 0.368984 GPRESSAVG: 3240800 -44.6641 -37.6093 34.1603 -38.6058 29.3194 -35.5492 34.7984 -39.2055 2.39647 TIMING: 3240800 CPU: 10241.5, 0.00317262/step Wall: 10241.5, 0.00317262/step, 1.55036 hours remaining, 238.933594 MB of memory in use. ENERGY: 3240800 3996.2807 20388.6906 14471.4226 261.9636 -203680.6413 2798.2337 0.0000 0.0000 52111.5921 -109652.4582 299.4860 -161764.0502 -109293.0240 298.7847 -100.0990 -71.8072 761113.5524 -4.1597 -4.3161 PRESSURE: 3241000 -145.636 -223.81 174.652 -223.809 180.888 305.855 174.652 305.855 -41.5385 GPRESSURE: 3241000 -9.84908 -210.589 132.32 -239.495 113.506 289.082 188.229 283.833 -27.7185 PRESSAVG: 3241000 -35.7527 -48.8793 -6.03978 -48.8793 34.2367 38.1967 -6.0398 38.1968 -8.08448 GPRESSAVG: 3241000 -32.7792 -48.0608 -7.31712 -48.136 32.7808 36.1944 -5.07956 40.6964 -9.68397 TIMING: 3241000 CPU: 10242.1, 0.00315934/step Wall: 10242.1, 0.00315934/step, 1.54369 hours remaining, 238.933594 MB of memory in use. ENERGY: 3241000 3985.6083 20526.5893 14404.0974 247.3673 -203335.0121 2473.3253 0.0000 0.0000 51964.9155 -109733.1089 298.6431 -161698.0244 -109362.6432 298.9677 -2.0953 25.3128 761402.0220 -3.2002 -3.2275 PRESSURE: 3241200 -83.3031 -46.3539 -61.4607 -46.3549 -379.729 -109.816 -61.4603 -109.817 -163.111 GPRESSURE: 3241200 -127.223 -269.163 -103.359 -149.565 -256.686 -139.567 -53.5825 -168.553 -170.142 PRESSAVG: 3241200 -16.8864 -67.8555 -23.491 -67.8556 -0.91416 21.2777 -23.4911 21.2777 9.30367 GPRESSAVG: 3241200 -17.6856 -70.1033 -23.5676 -68.389 0.0364579 23.0144 -24.5064 20.8141 8.62598 TIMING: 3241200 CPU: 10242.7, 0.00312937/step Wall: 10242.7, 0.00312937/step, 1.52887 hours remaining, 238.933594 MB of memory in use. ENERGY: 3241200 3963.8661 20583.2281 14502.5542 252.1651 -203473.1245 2550.5991 0.0000 0.0000 51941.4307 -109679.2810 298.5081 -161620.7118 -109308.4081 299.1717 -208.7143 -184.6839 761402.9573 -2.8323 -3.0077 PRESSURE: 3241400 138.558 89.8374 18.6682 89.8376 409.118 -122.069 18.669 -122.069 86.8665 GPRESSURE: 3241400 110.039 -14.3525 65.5093 175.212 456.992 -128.439 70.6667 -117.249 141.559 PRESSAVG: 3241400 11.3321 -60.284 -11.4219 -60.284 8.05785 23.8054 -11.4219 23.8055 -2.95779 GPRESSAVG: 3241400 11.007 -60.2839 -11.8684 -59.5274 7.38824 23.3466 -10.3824 23.1086 -1.63821 TIMING: 3241400 CPU: 10243.4, 0.00313785/step Wall: 10243.4, 0.00313785/step, 1.53284 hours remaining, 238.933594 MB of memory in use. ENERGY: 3241400 3941.3742 20624.5429 14444.4461 261.1284 -203582.9117 2840.0924 0.0000 0.0000 52084.1592 -109387.1685 299.3284 -161471.3278 -109028.4107 298.7872 211.5141 236.1966 762779.9815 5.4774 5.5857 PRESSURE: 3241600 -290.037 169.739 97.2948 169.738 -25.8802 127.718 97.295 127.718 35.1347 GPRESSURE: 3241600 -281.971 278.229 57.6115 175.251 38.0761 172.574 205.527 121.8 50.8574 PRESSAVG: 3241600 -36.6883 10.1076 12.3006 10.1076 19.4633 83.574 12.3006 83.574 -7.74117 GPRESSAVG: 3241600 -37.6605 12.8403 14.0872 8.72571 19.2229 84.3389 13.4423 85.5531 -7.04835 TIMING: 3241600 CPU: 10244, 0.00314413/step Wall: 10244, 0.00314413/step, 1.53573 hours remaining, 238.933594 MB of memory in use. ENERGY: 3241600 4032.0809 20400.4371 14376.6790 238.8437 -203281.8382 2483.1460 0.0000 0.0000 52022.6912 -109727.9602 298.9751 -161750.6514 -109371.6072 298.6330 -93.5941 -64.3460 761918.2239 -8.3221 -8.4953 PRESSURE: 3241800 157.729 67.436 170.156 67.4366 8.74609 -204.221 170.157 -204.222 54.9738 GPRESSURE: 3241800 187.598 107.034 155.784 -46.5018 12.5199 -283.146 52.0968 -108.74 99.538 PRESSAVG: 3241800 31.3506 -31.2901 -32.836 -31.2901 -31.1932 -1.73752 -32.8361 -1.7375 11.712 GPRESSAVG: 3241800 33.0387 -32.2662 -33.2775 -32.9914 -31.6661 -2.01681 -34.8572 -1.4905 10.5482 TIMING: 3241800 CPU: 10244.6, 0.00314937/step Wall: 10244.6, 0.00314936/step, 1.53811 hours remaining, 238.933594 MB of memory in use. ENERGY: 3241800 3948.5217 20566.6766 14467.2614 249.5246 -203311.5370 2597.5065 0.0000 0.0000 51791.3323 -109690.7139 297.6455 -161482.0462 -109332.2065 298.5261 73.8162 99.8852 760525.2435 3.9564 3.9736 PRESSURE: 3242000 472.088 -176.021 127.53 -176.02 -335.302 -118.834 127.528 -118.834 -56.7754 GPRESSURE: 3242000 409.343 -73.6659 169.529 -134.253 -175.768 -158.694 84.8028 -95.3222 -89.7199 PRESSAVG: 3242000 14.5702 -18.1923 4.84891 -18.1923 -37.7983 25.3823 4.84896 25.3823 21.138 GPRESSAVG: 3242000 14.0463 -19.3595 4.89815 -14.007 -37.3831 27.327 3.34075 23.94 21.0379 TIMING: 3242000 CPU: 10245.3, 0.00313903/step Wall: 10245.3, 0.00313903/step, 1.53289 hours remaining, 238.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3242000 3956.3013 20449.4687 14464.1474 235.1582 -203431.7834 2577.8532 0.0000 0.0000 52049.8537 -109699.0009 299.1312 -161748.8546 -109334.4796 298.2716 26.6702 47.9519 760558.4713 -0.6967 -0.7663 PRESSURE: 3242200 112.338 241.819 -1.36256 241.819 10.0872 153.205 -1.36338 153.204 172.969 GPRESSURE: 3242200 117.898 262.992 18.9024 137.477 83.1773 203.648 -17.9079 94.8117 173.315 PRESSAVG: 3242200 -3.61113 -10.3015 -5.29465 -10.3015 -1.92737 30.6809 -5.29464 30.6809 4.10913 GPRESSAVG: 3242200 -3.94893 -10.5447 -4.09871 -12.7166 -1.84741 26.8587 -3.61894 32.0431 3.96279 TIMING: 3242200 CPU: 10245.9, 0.00313977/step Wall: 10245.9, 0.00313977/step, 1.53308 hours remaining, 238.933594 MB of memory in use. ENERGY: 3242200 4039.7292 20560.9711 14454.9105 256.1790 -203085.3157 2425.2441 0.0000 0.0000 52050.5874 -109297.6943 299.1354 -161348.2817 -108942.8601 299.3206 98.4647 124.7968 761299.9365 -0.4765 -0.6112 PRESSURE: 3242400 245.216 74.3576 0.240321 74.3576 94.9122 126.331 0.239216 126.331 -295.4 GPRESSURE: 3242400 292.513 54.1988 33.4215 58.2959 49.5573 109.666 -63.2317 111.526 -233.697 PRESSAVG: 3242400 -30.9832 -30.6784 27.9917 -30.6784 35.9676 28.3641 27.9916 28.3641 -4.5719 GPRESSAVG: 3242400 -30.4361 -30.6666 28.2005 -30.7159 34.4797 30.3468 27.6994 26.9352 -4.06115 TIMING: 3242400 CPU: 10246.5, 0.00314502/step Wall: 10246.5, 0.00314502/step, 1.53547 hours remaining, 238.933594 MB of memory in use. ENERGY: 3242400 4003.0668 20675.4224 14423.7824 226.4570 -203010.4458 2494.7741 0.0000 0.0000 52026.6799 -109160.2632 298.9980 -161186.9431 -108796.7734 299.8599 14.9092 36.1244 761539.1318 0.1375 -0.0058 PRESSURE: 3242600 -61.0797 -66.1327 111.778 -66.1331 -189.36 147.763 111.778 147.764 -378.031 GPRESSURE: 3242600 -17.7737 -18.8462 140.228 -63.168 -171.254 153.929 77.2147 138.485 -364.321 PRESSAVG: 3242600 3.24525 -15.8601 6.08556 -15.8602 -19.9227 -16.6708 6.08566 -16.6708 19.528 GPRESSAVG: 3242600 2.82384 -17.5708 5.96037 -15.4748 -19.9509 -17.2065 3.39998 -15.9913 20.0359 TIMING: 3242600 CPU: 10247.1, 0.00317255/step Wall: 10247.1, 0.00317255/step, 1.54873 hours remaining, 238.933594 MB of memory in use. ENERGY: 3242600 4015.5658 20561.9979 14334.6914 270.9609 -203345.7361 2589.0686 0.0000 0.0000 52323.0284 -109250.4231 300.7012 -161573.4515 -108882.6385 299.7265 -209.4903 -184.4497 761115.4914 0.9502 0.9696 PRESSURE: 3242800 40.2232 149.219 13.4686 149.219 -96.8629 -118.931 13.4684 -118.93 15.0815 GPRESSURE: 3242800 34.4274 108.387 -10.3225 105.667 -21.3362 -151.673 -29.2915 -88.6859 49.1963 PRESSAVG: 3242800 -21.6127 -45.9711 23.6919 -45.9711 0.55173 -24.5675 23.6919 -24.5674 -14.7681 GPRESSAVG: 3242800 -22.0096 -43.9037 23.6597 -45.2347 1.96339 -25.3536 25.1713 -24.0815 -15.371 TIMING: 3242800 CPU: 10247.8, 0.00316577/step Wall: 10247.8, 0.00316576/step, 1.54524 hours remaining, 238.933594 MB of memory in use. ENERGY: 3242800 4047.1186 20492.3117 14404.3519 240.2055 -203216.8702 2527.3654 0.0000 0.0000 52149.0382 -109356.4787 299.7012 -161505.5170 -108995.3906 299.7400 -13.8527 20.7625 761392.6892 -11.9430 -11.8057 PRESSURE: 3243000 75.6077 -100.925 115.238 -100.926 89.9079 22.6677 115.238 22.6672 177.43 GPRESSURE: 3243000 84.1062 -70.1434 120.231 -106.974 161.927 13.5799 163.193 -52.2374 174.351 PRESSAVG: 3243000 3.84477 -18.2055 40.0513 -18.2055 34.2449 -2.47351 40.0513 -2.47362 36.8573 GPRESSAVG: 3243000 3.79302 -17.7137 38.5523 -19.7712 33.6622 -1.80402 41.7641 -4.63334 37.3828 TIMING: 3243000 CPU: 10248.4, 0.00318354/step Wall: 10248.4, 0.00318354/step, 1.55374 hours remaining, 238.933594 MB of memory in use. ENERGY: 3243000 4002.2305 20612.3526 14350.3529 232.0231 -203241.6232 2618.7295 0.0000 0.0000 52045.3357 -109380.5988 299.1053 -161425.9345 -109021.6759 299.7560 114.3153 140.1279 760312.5545 24.9823 24.9460 PRESSURE: 3243200 -136.761 -139.664 31.5573 -139.665 -559.712 -27.9954 31.558 -27.9951 -112.902 GPRESSURE: 3243200 -172.783 -138.886 -74.0969 -178.374 -454.445 2.18656 -53.8458 -65.3884 -121.944 PRESSAVG: 3243200 9.14952 -27.6635 4.21534 -27.6635 -3.92834 -6.93613 4.21534 -6.93617 -45.5577 GPRESSAVG: 3243200 9.25688 -27.5428 5.62406 -28.4667 -2.90577 -8.19839 4.40212 -4.80217 -46.4913 TIMING: 3243200 CPU: 10249, 0.00316796/step Wall: 10249, 0.00316796/step, 1.54596 hours remaining, 238.933594 MB of memory in use. ENERGY: 3243200 3971.7943 20539.2628 14355.1553 230.2988 -202822.3034 2426.3346 0.0000 0.0000 52328.1617 -108971.2960 300.7307 -161299.4577 -108610.3734 299.7338 -269.7915 -249.7241 764837.3415 -13.4455 -13.3801 PRESSURE: 3243400 -23.1934 14.1659 -37.8299 14.1657 -75.408 -35.8402 -37.8292 -35.8404 -416.142 GPRESSURE: 3243400 -33.4071 122.567 -66.2221 102.776 -37.9128 -72.6349 -62.909 -113.262 -358.206 PRESSAVG: 3243400 -4.81175 -43.6012 48.2649 -43.6013 -5.8048 -44.7113 48.2649 -44.7113 -6.39805 GPRESSAVG: 3243400 -3.90292 -45.1048 47.2341 -40.4353 -7.69718 -43.7546 47.6459 -46.9505 -4.9903 TIMING: 3243400 CPU: 10249.7, 0.00317567/step Wall: 10249.7, 0.00317567/step, 1.54955 hours remaining, 238.933594 MB of memory in use. ENERGY: 3243400 4028.4899 20443.6784 14458.8086 237.1136 -202873.9851 2438.6123 0.0000 0.0000 52242.1803 -109025.1020 300.2365 -161267.2823 -108661.4615 300.1287 -171.5813 -143.1751 761799.8814 -5.6715 -5.5301 PRESSURE: 3243600 30.5089 -101.965 -13.0063 -101.965 71.1537 -69.333 -13.0054 -69.3323 -150.867 GPRESSURE: 3243600 30.9775 -241.108 10.1211 -254.092 138.198 -94.6973 60.784 -51.2454 -136.064 PRESSAVG: 3243600 -4.5318 -36.263 26.3785 -36.263 -5.26145 -16.886 26.3785 -16.886 -7.33314 GPRESSAVG: 3243600 -6.11554 -37.399 26.5392 -36.4084 -2.23088 -16.9243 26.6696 -16.7179 -8.58436 TIMING: 3243600 CPU: 10250.3, 0.0031789/step Wall: 10250.3, 0.0031789/step, 1.55095 hours remaining, 238.933594 MB of memory in use. ENERGY: 3243600 3980.9157 20781.9031 14439.9606 254.6991 -202680.2971 2259.3065 0.0000 0.0000 52058.4492 -108905.0629 299.1806 -160963.5121 -108559.4521 299.9317 -16.4014 11.0372 763250.3450 -5.7088 -5.6436 PRESSURE: 3243800 234.639 -24.8559 -248.131 -24.8566 -644.858 -87.94 -248.131 -87.9402 -509.53 GPRESSURE: 3243800 189.858 -33.7435 -208.353 -10.2147 -499.532 -134.162 -118.911 -135.302 -512.514 PRESSAVG: 3243800 -11.8909 -37.6749 -18.8202 -37.6749 1.57757 14.2721 -18.8202 14.2723 -5.398 GPRESSAVG: 3243800 -10.4774 -34.5281 -18.248 -40.9571 -0.188184 14.7929 -18.2014 13.4442 -5.34069 TIMING: 3243800 CPU: 10251, 0.00317532/step Wall: 10251, 0.00317532/step, 1.54903 hours remaining, 238.933594 MB of memory in use. ENERGY: 3243800 4084.7707 20560.6363 14476.5300 244.6285 -202984.9823 2431.0286 0.0000 0.0000 52295.5602 -108891.8280 300.5433 -161187.3882 -108531.8668 300.3370 -306.5829 -274.0626 761789.9968 -5.2371 -5.3354 PRESSURE: 3244000 -83.9946 -120.355 58.084 -120.355 -18.8523 280.786 58.0832 280.786 -632.995 GPRESSURE: 3244000 -110.648 -177.764 100.617 -42.5822 9.77796 292.057 107.166 189.156 -561.992 PRESSAVG: 3244000 -37.0111 -11.5243 -10.4805 -11.5242 12.2229 -10.1305 -10.4806 -10.1304 -6.60073 GPRESSAVG: 3244000 -38.0268 -13.0773 -11.094 -10.0732 12.087 -10.7936 -10.9031 -9.62012 -5.28394 TIMING: 3244000 CPU: 10251.6, 0.00316684/step Wall: 10251.6, 0.00316684/step, 1.54471 hours remaining, 238.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3244000 3967.6827 20715.0899 14395.2496 229.1723 -203036.9596 2672.6234 0.0000 0.0000 52186.4369 -108870.7048 299.9162 -161057.1417 -108502.0004 300.5615 -245.2806 -220.9539 763624.4441 -10.4630 -10.4079 PRESSURE: 3244200 -158.791 -269.541 -128.413 -269.54 192.291 162.994 -128.413 162.994 398.595 GPRESSURE: 3244200 -148.954 -221.855 -71.0879 -269.769 270.966 195.744 15.7519 87.0595 370.097 PRESSAVG: 3244200 -15.447 -37.9599 16.0141 -37.96 -1.81875 -10.3253 16.014 -10.3254 14.586 GPRESSAVG: 3244200 -13.9277 -36.4323 16.7814 -38.6929 -1.23084 -9.52952 14.8845 -9.59572 12.8964 TIMING: 3244200 CPU: 10252.2, 0.00315668/step Wall: 10252.2, 0.00315668/step, 1.53958 hours remaining, 238.933594 MB of memory in use. ENERGY: 3244200 3928.2687 20552.5176 14459.4946 259.4630 -203153.6776 2573.8003 0.0000 0.0000 52256.5422 -109123.5912 300.3191 -161380.1334 -108753.8969 300.4863 144.0316 164.0363 761900.1813 -0.8932 -0.7540 LDB: ============= START OF LOAD BALANCING ============== 10264.6 LDB: ============== END OF LOAD BALANCING =============== 10264.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10264.6 LDB: ============= START OF LOAD BALANCING ============== 10264.9 LDB: Largest compute 7037 load 0.032504 is 16.6% of average load 0.196160 LDB: Average compute 0.004356 is 2.2% of average load 0.196160 LDB: TIME 10264.9 LOAD: AVG 0.19616 MAX 0.216677 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.309 MB LDB: TIME 10264.9 LOAD: AVG 0.19616 MAX 0.216677 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.512 MB LDB: TIME 10264.9 LOAD: AVG 0.19616 MAX 0.216677 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.512 MB LDB: ============== END OF LOAD BALANCING =============== 10264.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10264.9 PRESSURE: 3244400 -8.63746 -169.613 242.393 -169.612 -330.98 -483.353 242.393 -483.354 64.6165 GPRESSURE: 3244400 -66.3603 -148.727 295.938 -233.853 -254.202 -485.451 151.987 -394.238 119.672 PRESSAVG: 3244400 9.58467 -25.7369 13.2566 -25.7368 -7.33204 -20.2848 13.2566 -20.2849 18.0024 GPRESSAVG: 3244400 9.26835 -27.8248 13.7234 -24.41 -8.59322 -19.9452 12.4115 -20.9984 19.3478 TIMING: 3244400 CPU: 10252.9, 0.00322259/step Wall: 10252.9, 0.00322259/step, 1.57155 hours remaining, 237.699219 MB of memory in use. ENERGY: 3244400 4014.5417 20406.4617 14426.5364 238.6269 -202748.0949 2504.1129 0.0000 0.0000 51912.7718 -109245.0435 298.3434 -161157.8153 -108884.2371 300.2782 -91.6669 -66.9634 762972.0052 6.7517 6.6743 PRESSURE: 3244600 -156.673 142.127 127.187 142.126 -4.82497 71.3534 127.187 71.3529 166.786 GPRESSURE: 3244600 -248.718 218.737 55.5045 65.4029 131.332 36.9763 88.9218 83.0951 209.874 PRESSAVG: 3244600 -15.6801 -38.621 17.3781 -38.6211 11.1568 -14.2839 17.3782 -14.2839 -14.3713 GPRESSAVG: 3244600 -16.0214 -38.375 15.2354 -40.067 12.3952 -14.838 16.2022 -15.2784 -15.3647 TIMING: 3244600 CPU: 10253.5, 0.00315388/step Wall: 10253.5, 0.00315388/step, 1.53787 hours remaining, 237.902344 MB of memory in use. ENERGY: 3244600 3987.8159 20393.9406 14451.0428 249.5355 -203286.5308 2747.5842 0.0000 0.0000 52139.6987 -109316.9131 299.6476 -161456.6118 -108959.8146 299.3721 1.7627 30.8294 761079.9607 -6.2982 -6.3303 PRESSURE: 3244800 -631.713 247.99 -162.782 247.99 -279.485 211.42 -162.781 211.42 4.92034 GPRESSURE: 3244800 -624.658 177.048 -166.354 249.692 -245.447 100.222 -101.147 185.741 36.2812 PRESSAVG: 3244800 -29.0664 -0.884466 -8.72155 -0.884444 25.3015 28.1643 -8.72152 28.1642 10.168 GPRESSAVG: 3244800 -28.9724 -0.117355 -6.81783 -1.38343 24.6703 28.4924 -6.651 29.0387 10.6814 TIMING: 3244800 CPU: 10254.1, 0.00315128/step Wall: 10254.1, 0.00315128/step, 1.53642 hours remaining, 237.902344 MB of memory in use. ENERGY: 3244800 3953.6909 20469.7885 14364.5988 246.8482 -202346.0123 2085.2139 0.0000 0.0000 51937.8079 -109288.0643 298.4873 -161225.8721 -108920.8640 298.8706 -302.0926 -277.9414 761902.2724 2.1344 2.1264 PRESSURE: 3245000 214.798 2.2984 34.3127 2.29804 166.438 36.1614 34.3116 36.1619 139.392 GPRESSURE: 3245000 293.54 102.947 18.4197 13.8977 188.033 -11.9487 44.435 118.571 120.354 PRESSAVG: 3245000 -49.3382 -12.6388 5.55563 -12.6388 26.4432 48.7166 5.55565 48.7165 -0.391828 GPRESSAVG: 3245000 -49.2516 -13.443 4.36665 -11.9702 26.3769 46.8227 5.7106 46.2438 -0.671768 TIMING: 3245000 CPU: 10254.8, 0.00314751/step Wall: 10254.8, 0.00314751/step, 1.53441 hours remaining, 237.902344 MB of memory in use. ENERGY: 3245000 3955.7074 20532.6687 14315.4269 253.5818 -203176.2947 2583.1353 0.0000 0.0000 52070.5822 -109465.1924 299.2504 -161535.7746 -109108.3257 299.2550 173.5425 200.6423 761267.9117 -7.7623 -7.8488 PRESSURE: 3245200 -148.178 228.414 -9.25858 228.415 -9.08398 29.8507 -9.2589 29.8508 245.167 GPRESSURE: 3245200 -179.092 221.412 109.738 175.28 64.8916 41.0242 -51.823 115.295 289.864 PRESSAVG: 3245200 -36.0236 -45.1139 -21.6675 -45.1139 28.3668 -13.6263 -21.6675 -13.6264 7.32425 GPRESSAVG: 3245200 -36.2225 -44.7809 -19.6357 -42.7615 28.5209 -13.0841 -22.3864 -11.1103 7.75739 TIMING: 3245200 CPU: 10255.4, 0.00314066/step Wall: 10255.4, 0.00314066/step, 1.5309 hours remaining, 237.902344 MB of memory in use. ENERGY: 3245200 3937.6940 20430.9677 14382.4264 265.7359 -203209.8533 2566.2013 0.0000 0.0000 52035.1119 -109591.7161 299.0465 -161626.8280 -109217.3883 299.2493 29.3018 58.5546 761316.8641 -0.1108 0.0186 PRESSURE: 3245400 -17.1238 196.205 396.083 196.204 391.878 -103.9 396.083 -103.9 283.456 GPRESSURE: 3245400 45.8666 54.6477 257.084 134.74 356.742 -113.615 115.687 -113.594 318.499 PRESSAVG: 3245400 -11.7184 -38.8889 -0.0322623 -38.8889 -9.23569 8.86448 -0.0323038 8.86452 8.50305 GPRESSAVG: 3245400 -12.6258 -41.7241 -1.95433 -40.0867 -8.35357 9.71423 0.128146 10.3391 7.3965 TIMING: 3245400 CPU: 10256, 0.0031415/step Wall: 10256, 0.0031415/step, 1.53113 hours remaining, 237.902344 MB of memory in use. ENERGY: 3245400 3992.5995 20452.5684 14407.9288 252.6079 -203559.9156 2854.6752 0.0000 0.0000 51993.6200 -109605.9158 298.8080 -161599.5358 -109238.1269 299.3217 219.4031 240.3691 760698.8511 -4.1503 -4.5276 PRESSURE: 3245600 -19.6572 -107.67 -152.006 -107.67 172.739 294.615 -152.006 294.617 317.698 GPRESSURE: 3245600 39.7811 -73.9938 -144.989 29.9415 181.01 353.745 -19.8387 103.052 329.491 PRESSAVG: 3245600 23.9657 -37.5981 -0.0876288 -37.5982 3.0283 7.32704 -0.0876328 7.32704 2.50843 GPRESSAVG: 3245600 25.6409 -34.4929 0.104717 -38.9314 1.49655 7.70214 0.316742 6.49194 3.03213 TIMING: 3245600 CPU: 10256.6, 0.00315545/step Wall: 10256.6, 0.00315545/step, 1.53776 hours remaining, 237.902344 MB of memory in use. ENERGY: 3245600 3961.7981 20496.8843 14429.9801 228.3744 -203748.8369 2687.4204 0.0000 0.0000 52085.0096 -109859.3700 299.3333 -161944.3795 -109494.3484 298.9798 156.9264 183.4272 759701.4049 9.8342 10.0565 PRESSURE: 3245800 299.651 -20.3875 57.0554 -20.3876 23.5568 -34.4128 57.0557 -34.412 -71.0106 GPRESSURE: 3245800 304.799 43.1193 12.3956 61.1715 42.4917 -12.5951 -36.1086 -41.0172 -18.4674 PRESSAVG: 3245800 17.3113 -31.3227 -12.1058 -31.3228 11.1956 2.54839 -12.1059 2.54844 -2.77938 GPRESSAVG: 3245800 16.0269 -32.3102 -11.4247 -29.7896 12.3245 2.73474 -11.6453 2.38055 -2.7215 TIMING: 3245800 CPU: 10257.3, 0.00315119/step Wall: 10257.3, 0.00315119/step, 1.5355 hours remaining, 237.902344 MB of memory in use. ENERGY: 3245800 4012.9973 20422.2184 14454.9067 259.0607 -203578.0262 2667.2211 0.0000 0.0000 51886.2073 -109875.4148 298.1907 -161761.6221 -109513.6773 298.2826 84.0658 109.6079 760476.1562 8.5759 8.5433 PRESSURE: 3246000 -391.997 -71.3771 48.611 -71.3767 -250.854 64.81 48.6102 64.8102 -413.41 GPRESSURE: 3246000 -293.01 -141.027 82.8165 35.9181 -257.926 28.4534 133.489 -1.16959 -380.688 PRESSAVG: 3246000 38.8165 -32.7404 19.6149 -32.7404 8.47671 5.37262 19.6149 5.37258 -2.57837 GPRESSAVG: 3246000 39.5323 -32.4934 20.932 -32.9052 8.51109 5.31488 18.2722 3.41966 -2.7099 TIMING: 3246000 CPU: 10257.9, 0.00315583/step Wall: 10257.9, 0.00315582/step, 1.53759 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3246000 3981.4478 20491.9306 14476.8651 270.4161 -202843.4532 2355.3899 0.0000 0.0000 51870.7362 -109396.6676 298.1018 -161267.4038 -109036.0557 297.8160 -352.0868 -310.5416 764298.8724 14.9050 15.1112 PRESSURE: 3246200 -103.401 -405.567 65.9978 -405.566 -195.309 167.555 65.9987 167.555 -19.223 GPRESSURE: 3246200 10.1569 -274.317 48.0952 -400.23 -213.696 208.517 87.6463 149.375 -28.1104 PRESSAVG: 3246200 -13.6263 22.7843 -17.6479 22.7843 -11.0006 -3.03782 -17.6479 -3.03785 -12.0456 GPRESSAVG: 3246200 -14.696 22.6139 -18.2203 21.587 -11.306 -3.85871 -17.0792 -0.568671 -11.011 TIMING: 3246200 CPU: 10258.5, 0.00315998/step Wall: 10258.5, 0.00315998/step, 1.53944 hours remaining, 237.902344 MB of memory in use. ENERGY: 3246200 4006.2153 20513.8419 14408.6835 247.8052 -203167.2609 2557.6974 0.0000 0.0000 52446.7247 -108986.2929 301.4120 -161433.0176 -108621.6322 299.3627 -105.9779 -77.2165 762517.9253 -12.2242 -12.3377 PRESSURE: 3246400 -245.756 38.868 -184.03 38.8683 -173.321 36.2996 -184.03 36.2979 -285.353 GPRESSURE: 3246400 -151.971 130.764 -143.818 161.884 -248.415 35.082 -226.523 79.7751 -240.247 PRESSAVG: 3246400 57.0534 -30.1927 27.425 -30.1927 -51.6888 -39.4433 27.4251 -39.4434 4.29044 GPRESSAVG: 3246400 56.91 -29.6412 26.6828 -30.2004 -51.4465 -38.3559 28.324 -41.427 3.91573 TIMING: 3246400 CPU: 10259.2, 0.00315482/step Wall: 10259.2, 0.00315482/step, 1.53675 hours remaining, 237.902344 MB of memory in use. ENERGY: 3246400 4097.1035 20598.7511 14446.6300 236.8537 -203406.1031 2683.8867 0.0000 0.0000 52464.0036 -108878.8744 301.5113 -161342.8781 -108516.0707 300.6232 -234.8100 -213.5447 761294.4149 3.2183 3.1264 PRESSURE: 3246600 -169.256 42.4751 -87.4681 42.4754 -170.758 -255.076 -87.4677 -255.076 -133.054 GPRESSURE: 3246600 -145.544 90.5857 -113.238 119.383 -152.6 -163.72 35.4879 -320.408 -110.014 PRESSAVG: 3246600 27.3814 10.5436 7.05738 10.5436 -29.014 2.77193 7.05738 2.77194 -13.7327 GPRESSAVG: 3246600 28.2832 8.01149 6.07919 11.4861 -28.4296 2.079 7.50285 3.2646 -14.7405 TIMING: 3246600 CPU: 10259.8, 0.00316968/step Wall: 10259.8, 0.00316968/step, 1.54381 hours remaining, 237.902344 MB of memory in use. ENERGY: 3246600 4017.9408 20712.9948 14420.0223 236.6621 -203160.4671 2509.0605 0.0000 0.0000 52269.5920 -108994.1945 300.3941 -161263.7865 -108628.2635 301.0592 -157.6892 -136.0528 761096.3060 -5.1218 -4.9623 PRESSURE: 3246800 -51.2332 82.6501 -187.999 82.6499 -135.666 -294.903 -187.999 -294.903 168.428 GPRESSURE: 3246800 13.0588 64.4683 -197.325 214.846 -107.67 -244.283 -136.341 -321.07 161.19 PRESSAVG: 3246800 -15.4919 22.6579 -44.3988 22.658 -2.08967 -21.6826 -44.3988 -21.6826 20.952 GPRESSAVG: 3246800 -14.5921 23.9872 -42.186 23.5917 -2.6962 -20.1785 -46.7355 -21.7517 20.9174 TIMING: 3246800 CPU: 10260.4, 0.00316884/step Wall: 10260.4, 0.00316884/step, 1.54323 hours remaining, 237.902344 MB of memory in use. ENERGY: 3246800 4049.3180 20622.1908 14350.6261 247.6365 -203555.4732 2959.7934 0.0000 0.0000 52277.6522 -109048.2562 300.4404 -161325.9083 -108689.5443 299.9898 -6.1570 22.1931 761019.2594 1.1235 1.2097 PRESSURE: 3247000 110.691 -13.4621 171.748 -13.4626 218.133 -177.422 171.749 -177.422 36.0626 GPRESSURE: 3247000 86.3947 -34.6449 163.26 -53.5391 288.343 -220.572 159.506 -181.906 52.9538 PRESSAVG: 3247000 3.04466 -31.4109 1.14576 -31.4109 33.1342 -16.4677 1.14581 -16.4678 19.9386 GPRESSAVG: 3247000 2.5298 -29.2971 -2.5873 -35.3854 33.0707 -18.8236 3.07598 -15.9547 20.2009 TIMING: 3247000 CPU: 10261.1, 0.0031589/step Wall: 10261.1, 0.0031589/step, 1.53821 hours remaining, 237.902344 MB of memory in use. ENERGY: 3247000 3982.4951 20716.2460 14381.8871 280.2640 -203804.9236 3047.6778 0.0000 0.0000 52180.5270 -109215.8266 299.8822 -161396.3536 -108864.4916 299.8929 121.6290 142.5639 760027.5210 18.7058 18.6004 PRESSURE: 3247200 -479.73 -23.4665 -118.676 -23.4658 -427.367 -85.36 -118.675 -85.3608 -652.383 GPRESSURE: 3247200 -486.758 -62.5251 -90.7493 54.7731 -383.285 -103.003 -95.38 -131.484 -596.948 PRESSAVG: 3247200 6.68583 -27.2948 -28.8202 -27.2948 -15.4202 -46.8376 -28.8201 -46.8376 8.76887 GPRESSAVG: 3247200 7.01146 -29.4588 -27.2279 -23.9755 -17.0061 -47.1093 -27.3885 -45.0653 9.69948 TIMING: 3247200 CPU: 10261.7, 0.00314968/step Wall: 10261.7, 0.00314968/step, 1.53355 hours remaining, 237.902344 MB of memory in use. ENERGY: 3247200 3987.5579 20720.2592 14396.7311 254.9747 -203048.8111 2321.8402 0.0000 0.0000 52129.3583 -109238.0896 299.5881 -161367.4479 -108866.4687 299.9238 -519.8264 -488.9969 761197.0170 0.0115 -0.0984 PRESSURE: 3247400 269.178 -127.105 -140.773 -127.105 471.807 -110.061 -140.773 -110.061 -258.364 GPRESSURE: 3247400 294.252 28.6691 -160.382 -315.573 483.046 -135.551 -135.785 -166.613 -194.251 PRESSAVG: 3247400 21.7053 -53.4426 13.3347 -53.4427 -11.8891 -59.6034 13.3348 -59.6035 -19.4556 GPRESSAVG: 3247400 20.5317 -51.5602 13.9027 -53.3766 -11.1852 -59.0964 11.1369 -60.5464 -19.4072 TIMING: 3247400 CPU: 10262.3, 0.00315033/step Wall: 10262.3, 0.00315033/step, 1.53368 hours remaining, 237.902344 MB of memory in use. ENERGY: 3247400 3944.2429 20591.9638 14327.8740 257.3068 -203348.9018 2777.6575 0.0000 0.0000 52213.6628 -109236.1941 300.0726 -161449.8569 -108878.2205 299.8541 160.8735 194.3491 760811.9119 -3.2131 -3.3535 PRESSURE: 3247600 -148.659 134.584 185.467 134.583 -259.564 39.6324 185.466 39.6332 33.35 GPRESSURE: 3247600 -78.7192 200.074 127.467 95.4858 -223.905 -0.236857 8.74475 207.793 8.82324 PRESSAVG: 3247600 25.3161 -50.1337 3.7932 -50.1336 -27.8417 3.06006 3.79325 3.06006 -7.26602 GPRESSAVG: 3247600 25.3564 -49.5126 4.40833 -50.377 -27.6259 3.416 3.55673 3.3389 -7.58244 TIMING: 3247600 CPU: 10263, 0.00315378/step Wall: 10263, 0.00315378/step, 1.53519 hours remaining, 237.902344 MB of memory in use. ENERGY: 3247600 3947.7379 20648.0135 14374.4265 252.7430 -203168.8156 2438.8643 0.0000 0.0000 52015.9649 -109491.0655 298.9365 -161507.0304 -109119.2841 299.7099 -124.9576 -97.9337 761617.5756 -3.2639 -3.2840 PRESSURE: 3247800 -8.00956 -117.984 302.837 -117.985 100.097 -171.573 302.837 -171.573 -244.865 GPRESSURE: 3247800 -28.3022 -104.364 238.234 -112.371 124.59 -133.395 266.98 -173.316 -187.276 PRESSAVG: 3247800 28.0207 -48.2256 87.7848 -48.2256 24.2976 3.62065 87.7849 3.6206 -6.44568 GPRESSAVG: 3247800 27.5251 -48.46 86.6971 -49.0334 24.5149 2.72024 88.0523 2.9136 -6.14576 TIMING: 3247800 CPU: 10263.6, 0.00316727/step Wall: 10263.6, 0.00316727/step, 1.54158 hours remaining, 237.902344 MB of memory in use. ENERGY: 3247800 3990.6837 20645.8392 14348.5596 219.1599 -203257.4142 2414.9228 0.0000 0.0000 52283.8598 -109354.3892 300.4761 -161638.2489 -108979.3820 299.6203 -50.9258 -30.3294 762077.3036 15.2909 15.2981 PRESSURE: 3248000 -211.717 65.6515 350.643 65.6516 -196.066 109.149 350.644 109.149 -328.409 GPRESSURE: 3248000 -112.216 17.938 330.864 -24.3299 -87.4014 22.8505 338.284 229.29 -430.419 PRESSAVG: 3248000 -41.0128 -79.9844 29.6111 -79.9844 50.3125 -79.5557 29.6112 -79.5556 7.0573 GPRESSAVG: 3248000 -40.37 -80.0291 31.2277 -81.5757 49.7176 -79.5569 27.8415 -78.0691 6.68235 TIMING: 3248000 CPU: 10264.2, 0.00315646/step Wall: 10264.2, 0.00315646/step, 1.53614 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3248000 4044.6494 20610.8782 14392.4631 252.2315 -203299.4610 2432.1812 0.0000 0.0000 52088.8031 -109478.2544 299.3551 -161567.0576 -109125.7823 299.6905 -245.3973 -210.0122 760581.9949 5.4523 5.3433 PRESSURE: 3248200 -20.6669 83.2361 -18.8445 83.2365 -105.718 13.2942 -18.8456 13.2936 305.426 GPRESSURE: 3248200 97.8604 49.511 -94.9468 225.499 -196.248 2.86039 114.72 54.9491 388.112 PRESSAVG: 3248200 3.59152 -32.1301 -4.48356 -32.1301 -35.4354 1.63167 -4.48357 1.63167 -13.9973 GPRESSAVG: 3248200 3.31705 -32.57 -7.10178 -30.1299 -34.8111 2.98044 -2.74538 1.19733 -13.7401 TIMING: 3248200 CPU: 10264.9, 0.00315107/step Wall: 10264.9, 0.00315107/step, 1.53335 hours remaining, 237.902344 MB of memory in use. ENERGY: 3248200 4028.9098 20471.6595 14447.6272 269.1433 -203198.7516 2528.4481 0.0000 0.0000 52120.5801 -109332.3835 299.5377 -161452.9636 -108976.0790 299.4639 59.6804 96.5748 761379.2852 -15.2804 -15.0780 LDB: ============= START OF LOAD BALANCING ============== 10277.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10277.3 LDB: =============== DONE WITH MIGRATION ================ 10277.3 LDB: ============= START OF LOAD BALANCING ============== 10277.6 LDB: Largest compute 7060 load 0.032220 is 16.4% of average load 0.196049 LDB: Average compute 0.004388 is 2.2% of average load 0.196049 LDB: TIME 10277.6 LOAD: AVG 0.196049 MAX 0.217178 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.473 MB LDB: TIME 10277.6 LOAD: AVG 0.196049 MAX 0.217178 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.676 MB LDB: TIME 10277.6 LOAD: AVG 0.196049 MAX 0.217178 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.676 MB LDB: ============== END OF LOAD BALANCING =============== 10277.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10277.6 PRESSURE: 3248400 -210.477 -28.5991 -139.85 -28.5993 93.4217 110.415 -139.85 110.417 25.8623 GPRESSURE: 3248400 -192.362 24.0025 -123.886 -143.119 127.758 103.351 87.7861 -44.2141 58.0044 PRESSAVG: 3248400 36.948 -23.1647 30.8384 -23.1647 -40.5698 -17.3798 30.8384 -17.3797 4.36373 GPRESSAVG: 3248400 37.1095 -26.0109 32.924 -24.1859 -41.2603 -18.036 31.516 -19.7056 4.66209 TIMING: 3248400 CPU: 10265.5, 0.00324011/step Wall: 10265.5, 0.00324011/step, 1.57649 hours remaining, 237.332031 MB of memory in use. ENERGY: 3248400 4028.0328 20576.0069 14480.1360 248.2918 -203746.5897 2705.9100 0.0000 0.0000 52294.9939 -109413.2182 300.5400 -161708.2121 -109055.7539 299.7517 -30.3975 -2.1999 762928.8987 0.2473 0.1704 PRESSURE: 3248600 -230.075 47.1455 138.613 47.1457 -472.72 19.3883 138.613 19.3887 60.7797 GPRESSURE: 3248600 -251.061 -50.0613 118.766 125.294 -288.156 40.5894 -26.7723 85.2608 -27.1779 PRESSAVG: 3248600 -24.5131 -38.3593 -7.22294 -38.3593 -3.08888 20.2049 -7.22291 20.2049 1.52446 GPRESSAVG: 3248600 -24.378 -36.6699 -7.11913 -37.4669 -2.28785 19.6492 -7.83356 20.8355 -0.0105222 TIMING: 3248600 CPU: 10266.1, 0.00318415/step Wall: 10266.1, 0.00318415/step, 1.54909 hours remaining, 237.332031 MB of memory in use. ENERGY: 3248600 4081.9104 20582.2642 14468.3868 281.0694 -203445.7013 2541.6872 0.0000 0.0000 52097.1809 -109393.2024 299.4032 -161490.3833 -109033.5795 299.7573 -214.0050 -188.7984 762032.2798 -8.6925 -8.8921 PRESSURE: 3248800 269.71 -124.839 161.439 -124.84 304.812 -304.694 161.438 -304.693 566.129 GPRESSURE: 3248800 318.847 -61.9574 226.821 -144.491 368.881 -368.132 81.3231 -261.342 558.338 PRESSAVG: 3248800 17.6348 -48.8702 51.5046 -48.8702 6.90661 -15.568 51.5046 -15.5681 24.7941 GPRESSAVG: 3248800 17.3742 -49.0556 51.5652 -50.4992 7.14843 -15.4936 50.6585 -16.7593 25.1857 TIMING: 3248800 CPU: 10266.8, 0.00317843/step Wall: 10266.8, 0.00317843/step, 1.54613 hours remaining, 237.332031 MB of memory in use. ENERGY: 3248800 4034.3333 20750.2550 14430.0246 264.3856 -203682.3412 3003.6584 0.0000 0.0000 52010.1460 -109189.5384 298.9030 -161199.6844 -108833.7633 299.7488 380.2170 415.3555 760500.4957 16.4452 16.5694 PRESSURE: 3249000 -194.03 -41.3845 -106.349 -41.3844 -408.578 55.6128 -106.349 55.6127 -87.5024 GPRESSURE: 3249000 -81.5953 -90.5082 -142.799 8.37836 -532.343 81.3637 -23.4126 7.12433 3.4699 PRESSAVG: 3249000 63.086 -15.634 -5.23708 -15.634 -11.6908 35.3702 -5.2371 35.3703 6.39288 GPRESSAVG: 3249000 63.6814 -14.9144 -7.13341 -15.3275 -14.2152 37.0962 -3.47367 34.251 7.84022 TIMING: 3249000 CPU: 10267.4, 0.00317669/step Wall: 10267.4, 0.00317669/step, 1.54511 hours remaining, 237.332031 MB of memory in use. ENERGY: 3249000 4013.8862 20716.4084 14472.7570 254.7723 -203202.0099 2427.2456 0.0000 0.0000 52020.9012 -109296.0392 298.9648 -161316.9404 -108938.1369 299.3100 -230.0368 -203.4894 762154.8633 19.2627 19.1021 PRESSURE: 3249200 95.0057 155.574 128.252 155.574 221.487 51.1213 128.251 51.1207 25.9502 GPRESSURE: 3249200 200.162 198.746 120.446 127.102 245.809 66.6899 105.936 26.9937 -28.9981 PRESSAVG: 3249200 11.5835 -39.4596 -13.8317 -39.4596 -4.14389 -16.2977 -13.8317 -16.2977 8.75926 GPRESSAVG: 3249200 10.5416 -40.6725 -14.4065 -38.0343 -2.98741 -17.1281 -12.7865 -15.941 8.18966 TIMING: 3249200 CPU: 10268, 0.00316362/step Wall: 10268, 0.00316362/step, 1.53858 hours remaining, 237.332031 MB of memory in use. ENERGY: 3249200 4033.2416 20740.6356 14446.2839 256.8185 -203574.8282 2876.1944 0.0000 0.0000 52030.2033 -109191.4509 299.0183 -161221.6542 -108834.9161 300.0815 114.1476 138.9909 760566.5194 5.3996 5.2480 PRESSURE: 3249400 91.9377 -220.958 241.833 -220.959 14.301 -149.307 241.833 -149.308 -66.269 GPRESSURE: 3249400 148.223 -237.438 258.123 -66.3381 75.6908 -114.308 329.016 -119.521 -80.2781 PRESSAVG: 3249400 22.3582 -17.6351 33.5067 -17.6351 -29.3896 -14.8005 33.5067 -14.8005 -29.8583 GPRESSAVG: 3249400 21.6131 -16.8525 33.3196 -18.5837 -28.6586 -14.5986 35.3071 -14.4578 -30.1989 TIMING: 3249400 CPU: 10268.7, 0.00316068/step Wall: 10268.7, 0.00316068/step, 1.53697 hours remaining, 237.332031 MB of memory in use. ENERGY: 3249400 3954.4070 20606.3651 14465.3787 243.5257 -203339.1809 2537.1982 0.0000 0.0000 52246.3562 -109285.9501 300.2605 -161532.3063 -108929.0027 299.7355 13.3232 47.8786 760634.2599 -12.2966 -12.4148 PRESSURE: 3249600 -130.624 -227.315 282.932 -227.315 -117.509 263.846 282.931 263.845 -305.734 GPRESSURE: 3249600 -61.4822 -158.921 276.72 -20.8873 -95.1193 109.02 275.701 158.4 -309.785 PRESSAVG: 3249600 38.5265 -20.3654 0.534668 -20.3654 -17.5658 -21.907 0.534632 -21.9071 -15.9136 GPRESSAVG: 3249600 39.4278 -20.8736 1.09339 -21.4274 -18.4102 -25.0099 -2.0612 -22.5966 -16.0821 TIMING: 3249600 CPU: 10269.3, 0.00317625/step Wall: 10269.3, 0.00317625/step, 1.54436 hours remaining, 237.332031 MB of memory in use. ENERGY: 3249600 4105.3851 20484.5962 14374.3244 243.5499 -203281.2597 2590.0600 0.0000 0.0000 51960.3652 -109522.9789 298.6169 -161483.3441 -109155.1376 299.9255 -184.6222 -155.4622 761390.0402 1.6824 1.6452 PRESSURE: 3249800 -15.7291 102.685 63.1972 102.685 -101.105 30.8828 63.197 30.884 33.7781 GPRESSURE: 3249800 -41.6214 -11.1948 139.002 183.986 -63.7345 69.909 139.86 148.667 103.529 PRESSAVG: 3249800 -1.39676 -29.7086 17.3545 -29.7086 -0.773117 2.8461 17.3544 2.84604 8.33556 GPRESSAVG: 3249800 -1.77466 -29.0651 19.2272 -28.0183 -1.22837 4.28559 15.9529 3.70052 8.44802 TIMING: 3249800 CPU: 10269.9, 0.00314714/step Wall: 10269.9, 0.00314714/step, 1.53004 hours remaining, 237.332031 MB of memory in use. ENERGY: 3249800 4029.7083 20458.4851 14414.5830 253.0610 -202994.6866 2442.6793 0.0000 0.0000 51966.9631 -109429.2068 298.6549 -161396.1700 -109058.6623 299.3062 -27.6854 -0.6088 762354.0234 2.0552 1.8150 PRESSURE: 3250000 214.468 -63.6265 -22.3634 -63.6263 34.5519 183.039 -22.3632 183.038 -196.828 GPRESSURE: 3250000 239.625 34.4925 80.2148 -34.4703 55.6536 192.602 30.5253 115.751 -159.105 PRESSAVG: 3250000 21.0864 -16.7268 59.8489 -16.727 3.18871 -36.5358 59.8489 -36.5357 -19.6937 GPRESSAVG: 3250000 21.9818 -17.756 59.6548 -16.098 3.14643 -35.9421 62.6018 -36.2688 -20.604 TIMING: 3250000 CPU: 10270.6, 0.00314969/step Wall: 10270.6, 0.00314969/step, 1.5311 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3250000 3985.1617 20558.8175 14429.3927 253.9148 -202945.9647 2505.0355 0.0000 0.0000 51811.3999 -109402.2427 297.7608 -161213.6426 -109025.4129 299.1384 17.3973 45.3912 761138.7463 1.5272 1.5081 PRESSURE: 3250200 74.8366 91.4534 -138.99 91.4537 -432.456 -142.19 -138.99 -142.189 323.156 GPRESSURE: 3250200 97.7326 68.19 -197.76 43.0201 -337.902 -105.219 -18.1792 -145.835 311.324 PRESSAVG: 3250200 32.9086 -32.7017 -23.223 -32.7017 -68.331 -20.1956 -23.223 -20.1956 19.2613 GPRESSAVG: 3250200 33.0619 -31.3527 -22.5252 -35.4456 -68.6811 -20.5996 -24.4547 -19.1255 19.7645 TIMING: 3250200 CPU: 10271.2, 0.00314055/step Wall: 10271.2, 0.00314055/step, 1.52648 hours remaining, 237.332031 MB of memory in use. ENERGY: 3250200 4111.5772 20497.2869 14406.0215 240.4152 -203658.8974 2777.6495 0.0000 0.0000 52250.9942 -109374.9529 300.2872 -161625.9471 -109018.5661 299.2992 -11.4876 23.7182 761323.0915 -5.3870 -5.2849 PRESSURE: 3250400 -315.317 68.5163 -31.1858 68.5158 -207.257 -239.294 -31.1855 -239.294 -330.903 GPRESSURE: 3250400 -277.518 113.657 -90.3593 99.7204 -134.881 -249.624 -121.257 -113.822 -350.528 PRESSAVG: 3250400 41.6036 -3.39965 10.5984 -3.39967 -18.7601 -55.5199 10.5983 -55.52 -3.56265 GPRESSAVG: 3250400 41.1581 -2.4871 10.8446 -3.14607 -18.176 -54.8647 8.44225 -54.8573 -3.25288 TIMING: 3250400 CPU: 10271.8, 0.00314134/step Wall: 10271.8, 0.00314134/step, 1.52669 hours remaining, 237.332031 MB of memory in use. ENERGY: 3250400 4058.0960 20475.1165 14381.2956 263.9857 -203330.8272 2501.1008 0.0000 0.0000 52157.4923 -109493.7403 299.7498 -161651.2326 -109124.3937 299.5673 -284.4926 -254.3091 762055.1578 6.4269 6.5764 PRESSURE: 3250600 55.2291 7.63492 112.786 7.63553 -241.075 116.63 112.784 116.631 -117.078 GPRESSURE: 3250600 47.6852 -23.5343 181.763 -17.3289 -175.672 65.5459 184.133 -56.9271 -71.4887 PRESSAVG: 3250600 18.017 -27.982 -13.7652 -27.982 -8.6616 -20.2883 -13.7652 -20.2882 12.7481 GPRESSAVG: 3250600 17.2612 -30.5407 -15.36 -26.9773 -8.31834 -21.3288 -10.9856 -20.6953 13.1122 TIMING: 3250600 CPU: 10272.5, 0.0031387/step Wall: 10272.5, 0.0031387/step, 1.52523 hours remaining, 237.332031 MB of memory in use. ENERGY: 3250600 4005.6975 20548.1645 14404.4816 256.7505 -203368.2421 2589.9002 0.0000 0.0000 52115.1755 -109448.0724 299.5066 -161563.2478 -109082.9719 299.6381 -100.9748 -66.4919 762818.4709 7.3679 7.3517 PRESSURE: 3250800 -151.887 -199.837 -173.166 -199.837 -116.761 59.4927 -173.167 59.493 -152.075 GPRESSURE: 3250800 -92.0088 -131.904 -96.4407 -195.378 -142.096 131.748 -103.167 47.3881 -109.943 PRESSAVG: 3250800 19.4466 -49.8763 -2.64557 -49.8763 -31.6188 31.6929 -2.64561 31.6929 10.5666 GPRESSAVG: 3250800 20.5712 -48.4863 -3.18576 -49.9598 -32.1177 33.2547 -2.11242 30.1847 10.7557 TIMING: 3250800 CPU: 10273.1, 0.00314822/step Wall: 10273.1, 0.00314822/step, 1.52968 hours remaining, 237.332031 MB of memory in use. ENERGY: 3250800 4074.4547 20502.8796 14453.6488 253.1586 -203105.1604 2454.4602 0.0000 0.0000 51874.7414 -109491.8172 298.1249 -161366.5586 -109142.4578 298.9951 -140.2407 -114.6825 762248.6230 -0.5352 -0.2636 PRESSURE: 3251000 -293.487 -151.594 42.0929 -151.594 110.342 -65.1621 42.0927 -65.1629 -191.86 GPRESSURE: 3251000 -122.714 -164.734 22.6124 47.1175 20.8374 -73.1592 91.2194 -133.959 -176.419 PRESSAVG: 3251000 -18.1636 -10.6837 -17.1828 -10.6837 33.4885 -25.5248 -17.1828 -25.5247 -10.0976 GPRESSAVG: 3251000 -18.2214 -11.1885 -16.688 -9.62919 33.4481 -28.1822 -19.3777 -23.6759 -10.2976 TIMING: 3251000 CPU: 10273.7, 0.00317064/step Wall: 10273.7, 0.00317064/step, 1.5404 hours remaining, 237.332031 MB of memory in use. ENERGY: 3251000 3991.1522 20609.4975 14341.7038 255.2697 -203341.1709 2559.7080 0.0000 0.0000 52026.1270 -109557.7126 298.9949 -161583.8396 -109186.6763 299.1078 -125.0017 -92.7651 761143.6644 1.7424 1.6430 PRESSURE: 3251200 -164.907 -170.048 -7.82335 -170.048 -92.5619 -166.297 -7.82309 -166.297 534.011 GPRESSURE: 3251200 -94.0591 -253.236 -64.045 -250.596 22.3489 -128.4 -76.1641 -68.1687 424.653 PRESSAVG: 3251200 -24.8339 -8.41485 2.25155 -8.41487 6.9112 -35.6793 2.25158 -35.6793 -2.16839 GPRESSAVG: 3251200 -22.2924 -7.02832 3.94724 -10.4935 6.44051 -33.0053 2.97188 -39.4364 -4.94926 TIMING: 3251200 CPU: 10274.3, 0.00316383/step Wall: 10274.3, 0.00316383/step, 1.53692 hours remaining, 237.332031 MB of memory in use. ENERGY: 3251200 4037.2065 20472.8893 14385.0739 242.0302 -203461.5029 2560.4171 0.0000 0.0000 52099.3995 -109664.4865 299.4160 -161763.8860 -109299.7774 299.1794 92.1806 117.6476 762727.5139 -6.6970 -6.9337 PRESSURE: 3251400 -130.239 -216.565 297.509 -216.564 -403.123 -284.352 297.509 -284.352 343.124 GPRESSURE: 3251400 -131.903 -269.094 230.609 -155.685 -270.303 -311.359 211.302 -170.469 292.782 PRESSAVG: 3251400 9.38672 -32.3016 -11.4445 -32.3016 -9.45561 -31.2555 -11.4446 -31.2554 6.45931 GPRESSAVG: 3251400 6.02536 -34.2888 -12.9051 -30.7962 -8.10873 -33.5422 -9.44175 -28.1847 8.98957 TIMING: 3251400 CPU: 10275, 0.00314557/step Wall: 10275, 0.00314557/step, 1.52787 hours remaining, 237.332031 MB of memory in use. ENERGY: 3251400 4008.2025 20538.4195 14417.3614 265.8086 -203666.4499 2711.8765 0.0000 0.0000 51850.8808 -109873.9005 297.9877 -161724.7814 -109520.5769 298.8854 -63.4127 -36.4744 762021.5473 2.1301 2.3021 PRESSURE: 3251600 10.0121 94.7532 -144.286 94.7522 -203.212 97.0674 -144.286 97.0684 260.344 GPRESSURE: 3251600 37.1051 130.945 -118.212 165.943 -139.251 16.5222 -159.209 -14.6121 264.423 PRESSAVG: 3251600 79.018 -9.20078 9.23046 -9.20079 -47.485 -34.9613 9.23046 -34.9613 10.7504 GPRESSAVG: 3251600 81.1613 -8.05378 9.51349 -10.528 -46.9665 -35.285 8.33523 -35.6151 8.46534 TIMING: 3251600 CPU: 10275.6, 0.00313679/step Wall: 10275.6, 0.00313679/step, 1.52343 hours remaining, 237.332031 MB of memory in use. ENERGY: 3251600 4027.7684 20532.8777 14376.5487 257.7184 -203277.1841 2343.8888 0.0000 0.0000 52044.7328 -109693.6493 299.1018 -161738.3821 -109333.4341 298.6210 22.3812 54.0925 760717.3070 14.0944 14.2201 PRESSURE: 3251800 -242.975 223.668 -88.0144 223.667 53.0916 222.964 -88.0133 222.962 35.0346 GPRESSURE: 3251800 -147.412 176.691 -161.037 149.72 24.7617 152.903 -74.4566 162.876 65.313 PRESSAVG: 3251800 43.2297 -44.2368 -60.6518 -44.2369 -32.2951 -9.63763 -60.6518 -9.63763 2.70917 GPRESSAVG: 3251800 42.5547 -44.9062 -60.0162 -42.0111 -33.2067 -9.25253 -61.5089 -10.8055 4.77162 TIMING: 3251800 CPU: 10276.2, 0.00316143/step Wall: 10276.2, 0.00316143/step, 1.53522 hours remaining, 237.332031 MB of memory in use. ENERGY: 3251800 4049.5995 20428.7480 14439.1997 241.7039 -203230.4767 2379.1196 0.0000 0.0000 52073.3663 -109618.7395 299.2664 -161692.1058 -109240.4399 298.8361 -51.6164 -19.1126 759937.4027 4.5479 4.7066 PRESSURE: 3252000 83.5754 76.2514 -106.873 76.2512 -422.652 -106.565 -106.873 -106.565 -328.603 GPRESSURE: 3252000 90.2883 -66.0088 -99.8178 -10.8982 -385.915 -64.212 -84.3096 -153.546 -279.943 PRESSAVG: 3252000 35.8174 -36.5691 -33.6825 -36.5691 -49.3369 8.58665 -33.6825 8.58672 4.00444 GPRESSAVG: 3252000 36.487 -37.1534 -33.5866 -37.5315 -49.2478 9.42479 -33.2828 8.64892 3.37696 TIMING: 3252000 CPU: 10276.9, 0.00316429/step Wall: 10276.9, 0.00316429/step, 1.53644 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3252000 3975.0022 20553.4251 14367.3669 247.9027 -203203.1697 2246.1764 0.0000 0.0000 51990.4192 -109822.8770 298.7897 -161813.2962 -109448.3690 299.4373 -222.5598 -191.8567 761373.1041 -3.1717 -3.1279 PRESSURE: 3252200 153.686 -114.083 -6.89319 -114.083 -81.7332 170.772 -6.89165 170.771 293.636 GPRESSURE: 3252200 258.276 -107.318 17.7113 -136.028 -16.9865 186.913 -189.836 236.526 213.596 PRESSAVG: 3252200 35.5377 -56.5166 -70.8354 -56.5167 -43.0189 -17.216 -70.8354 -17.2159 -5.22211 GPRESSAVG: 3252200 36.2858 -56.4288 -70.9962 -57.206 -43.3085 -17.791 -70.4271 -16.1473 -5.28289 TIMING: 3252200 CPU: 10277.5, 0.0031633/step Wall: 10277.5, 0.0031633/step, 1.53578 hours remaining, 237.332031 MB of memory in use. ENERGY: 3252200 3972.5532 20508.1843 14355.3626 256.9501 -203528.6359 2427.4918 0.0000 0.0000 52071.3666 -109936.7272 299.2549 -162008.0938 -109564.0357 298.7342 121.8629 151.6287 758304.8709 -4.2344 -4.1019 LDB: ============= START OF LOAD BALANCING ============== 10289.9 LDB: ============== END OF LOAD BALANCING =============== 10289.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10289.9 LDB: ============= START OF LOAD BALANCING ============== 10290.2 LDB: Largest compute 7068 load 0.033814 is 17.2% of average load 0.196050 LDB: Average compute 0.004384 is 2.2% of average load 0.196050 LDB: TIME 10290.2 LOAD: AVG 0.19605 MAX 0.217079 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 10290.2 LOAD: AVG 0.19605 MAX 0.217079 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: TIME 10290.2 LOAD: AVG 0.19605 MAX 0.217079 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: ============== END OF LOAD BALANCING =============== 10290.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10290.2 PRESSURE: 3252400 -68.698 36.54 196.026 36.5389 -196.107 -63.5051 196.025 -63.5051 -82.8006 GPRESSURE: 3252400 -125.939 57.3941 322.675 72.4123 -150.112 1.6749 97.2006 45.9419 26.5963 PRESSAVG: 3252400 25.9537 -64.9933 -10.7882 -64.9933 -31.2105 -3.3413 -10.7882 -3.34126 6.73574 GPRESSAVG: 3252400 26.0864 -63.9398 -11.0669 -64.8409 -30.8875 -3.48951 -12.8195 -3.49444 6.90828 TIMING: 3252400 CPU: 10278.1, 0.00322715/step Wall: 10278.1, 0.00322715/step, 1.5666 hours remaining, 237.765625 MB of memory in use. ENERGY: 3252400 3943.7275 20554.6815 14390.5578 254.5619 -203270.6939 2239.9988 0.0000 0.0000 51935.8226 -109951.3438 298.4759 -161887.1664 -109588.1888 298.4733 -115.8687 -83.1514 762429.8676 0.4930 0.7024 PRESSURE: 3252600 -27.6786 -104.913 -68.831 -104.913 -378.605 65.6995 -68.8309 65.6999 -13.1542 GPRESSURE: 3252600 -33.8139 -124.007 -166.355 12.5842 -290.026 98.8113 101.405 19.0739 -8.34842 PRESSAVG: 3252600 82.5681 -43.1682 -29.5219 -43.1682 -99.2496 -0.930273 -29.5219 -0.930207 -1.75529 GPRESSAVG: 3252600 82.8196 -44.0511 -29.7052 -42.5768 -100.425 -0.388176 -27.3238 -2.62774 -0.631402 TIMING: 3252600 CPU: 10278.8, 0.00315055/step Wall: 10278.8, 0.00315055/step, 1.52924 hours remaining, 237.765625 MB of memory in use. ENERGY: 3252600 3957.6672 20661.6900 14441.5219 248.1871 -203631.9870 2496.9570 0.0000 0.0000 51940.4414 -109885.5225 298.5024 -161825.9639 -109530.2126 298.5191 -139.8125 -110.7296 761409.5259 -6.1456 -6.0791 PRESSURE: 3252800 -123.703 21.7986 6.76694 21.7987 -122.237 7.70962 6.76711 7.70869 61.573 GPRESSURE: 3252800 -74.017 -13.6144 -43.7517 131.257 -39.6225 -76.4532 75.3047 21.275 41.8808 PRESSAVG: 3252800 76.9622 -53.8233 -6.80932 -53.8233 -41.1605 18.8114 -6.80937 18.8113 -5.59486 GPRESSAVG: 3252800 76.2235 -52.3095 -6.91694 -54.6184 -39.3732 17.6014 -9.10443 19.8698 -6.52316 TIMING: 3252800 CPU: 10279.4, 0.00314397/step Wall: 10279.4, 0.00314397/step, 1.52587 hours remaining, 237.765625 MB of memory in use. ENERGY: 3252800 4036.3581 20493.5547 14503.5639 241.8577 -203890.7351 2765.2639 0.0000 0.0000 51865.7197 -109984.4170 298.0730 -161850.1368 -109626.5871 298.6978 -61.4557 -23.9196 760187.5960 10.0689 10.1091 PRESSURE: 3253000 218.009 120.652 228.981 120.653 50.8478 147.694 228.98 147.693 198.15 GPRESSURE: 3253000 227.126 242.036 322.655 74.6729 96.1137 115.409 125.811 252.128 226.417 PRESSAVG: 3253000 -17.3419 -18.4495 26.7139 -18.4496 -20.6819 15.8625 26.7139 15.8626 -14.6066 GPRESSAVG: 3253000 -18.1098 -17.7948 26.16 -18.8597 -20.6416 16.3326 28.5631 17.686 -13.9851 TIMING: 3253000 CPU: 10280, 0.0031841/step Wall: 10280, 0.0031841/step, 1.54517 hours remaining, 237.765625 MB of memory in use. ENERGY: 3253000 3916.1178 20722.9258 14459.7171 238.9760 -203546.4642 2487.1426 0.0000 0.0000 51939.0167 -109782.5682 298.4942 -161721.5849 -109432.8670 298.2560 155.6688 183.2190 760964.5540 -17.5435 -17.5788 PRESSURE: 3253200 294.715 85.8822 95.6483 85.8828 249.374 -69.9507 95.6482 -69.9513 520.788 GPRESSURE: 3253200 389.691 -15.7218 130.732 -2.60738 277.405 -84.9008 84.701 40.4913 469.639 PRESSAVG: 3253200 -28.656 4.14254 22.3971 4.14255 69.0733 -27.8874 22.3972 -27.8874 21.0222 GPRESSAVG: 3253200 -28.3459 5.08581 24.124 4.63661 67.6422 -26.5584 21.0658 -28.3403 21.8365 TIMING: 3253200 CPU: 10280.7, 0.00315085/step Wall: 10280.7, 0.00315085/step, 1.52886 hours remaining, 237.765625 MB of memory in use. ENERGY: 3253200 3977.4687 20456.3606 14387.9968 262.9612 -203784.8356 2820.5039 0.0000 0.0000 52024.6269 -109854.9174 298.9862 -161879.5443 -109493.8265 298.9107 354.9589 378.9119 759757.9623 20.4799 20.3776 PRESSURE: 3253400 82.8238 140.32 86.6777 140.32 -8.03272 -13.6316 86.6779 -13.632 -454.16 GPRESSURE: 3253400 161.917 121.99 114.1 119.146 35.0845 -7.14649 38.8163 7.62572 -486.269 PRESSAVG: 3253400 -25.6967 -54.6137 -0.930002 -54.6137 27.8131 -28.5709 -0.930026 -28.5709 -5.87192 GPRESSAVG: 3253400 -24.9532 -55.6577 -2.25607 -53.6414 27.0914 -29.5838 -0.720418 -29.0572 -5.95852 TIMING: 3253400 CPU: 10281.3, 0.00315138/step Wall: 10281.3, 0.00315138/step, 1.52894 hours remaining, 237.765625 MB of memory in use. ENERGY: 3253400 4035.4205 20622.6802 14422.9466 250.0539 -203900.1032 2656.6834 0.0000 0.0000 52024.3827 -109887.9359 298.9848 -161912.3186 -109522.5153 298.9032 -126.4564 -96.4224 760838.4877 -1.2518 -1.2734 PRESSURE: 3253600 238.953 -7.24484 -130.717 -7.24493 95.9558 -0.484955 -130.717 -0.485236 -209.128 GPRESSURE: 3253600 337.709 -20.9379 -130.533 -25.582 80.0935 -20.8735 -50.4577 34.9098 -185.769 PRESSAVG: 3253600 20.1439 -3.28378 -41.1771 -3.28374 14.3821 -12.3232 -41.1771 -12.3232 14.9638 GPRESSAVG: 3253600 21.6504 -4.43873 -40.6415 -2.95282 14.1583 -12.8522 -40.2307 -12.6574 14.2841 TIMING: 3253600 CPU: 10281.9, 0.0031435/step Wall: 10281.9, 0.0031435/step, 1.52495 hours remaining, 237.765625 MB of memory in use. ENERGY: 3253600 3966.8716 20576.9250 14419.6957 246.9681 -203866.6933 2616.8891 0.0000 0.0000 52162.6733 -109876.6705 299.7796 -162039.3438 -109516.5524 298.9513 41.9271 77.3444 760899.4880 16.4966 16.6976 PRESSURE: 3253800 2.16292 -24.6497 116.471 -24.6505 -23.4856 91.1049 116.471 91.1059 -42.5718 GPRESSURE: 3253800 -11.0528 -71.9724 21.3786 109.865 42.9108 71.4444 32.2829 151.46 -14.5972 PRESSAVG: 3253800 13.2612 -28.4555 34.4291 -28.4555 -21.9915 1.55287 34.4292 1.55291 -1.87225 GPRESSAVG: 3253800 10.5071 -26.7576 34.4062 -29.8274 -20.8177 2.11605 31.676 0.670823 -0.46878 TIMING: 3253800 CPU: 10282.6, 0.00314355/step Wall: 10282.6, 0.00314355/step, 1.5248 hours remaining, 237.765625 MB of memory in use. ENERGY: 3253800 3943.3146 20641.7037 14426.6927 251.8386 -203475.9145 2446.3948 0.0000 0.0000 51914.6219 -109851.3482 298.3540 -161765.9701 -109484.7569 298.8422 -21.2982 5.7536 762300.1863 -3.5342 -3.5932 PRESSURE: 3254000 108.207 28.7249 -158.684 28.7249 162.371 -20.3539 -158.682 -20.3538 -302.786 GPRESSURE: 3254000 78.7725 -31.2155 -223.303 -36.0277 266.582 -54.0439 -69.3166 67.0613 -309.667 PRESSAVG: 3254000 10.4622 44.7318 -10.5499 44.7318 -59.4984 -12.7676 -10.5499 -12.7676 7.57205 GPRESSAVG: 3254000 10.4315 44.1013 -10.9 44.7901 -58.4332 -13.3517 -9.49043 -11.0001 6.27569 TIMING: 3254000 CPU: 10283.2, 0.00317047/step Wall: 10283.2, 0.00317047/step, 1.53768 hours remaining, 237.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3254000 3975.7027 20413.5513 14475.8493 243.3510 -203594.0055 2796.7147 0.0000 0.0000 51715.4697 -109973.3668 297.2095 -161688.8365 -109606.5488 298.2530 -10.7358 11.8957 762614.6714 -13.8214 -13.9087 PRESSURE: 3254200 541.748 82.0621 320.281 82.0623 131.375 313.248 320.282 313.247 -220.843 GPRESSURE: 3254200 526.649 122.659 278.494 198.723 235.126 315.352 233.956 240.225 -192.457 PRESSAVG: 3254200 -6.11906 64.3941 7.09556 64.394 17.0652 8.10156 7.09555 8.10164 -13.7653 GPRESSAVG: 3254200 -3.90852 63.2196 5.31977 66.6317 16.1674 9.79754 7.98771 6.86183 -14.7831 TIMING: 3254200 CPU: 10283.8, 0.00316026/step Wall: 10283.8, 0.00316026/step, 1.53255 hours remaining, 237.765625 MB of memory in use. ENERGY: 3254200 4006.0372 20624.7489 14388.0591 237.6850 -204354.3049 3033.3712 0.0000 0.0000 51999.3440 -110065.0595 298.8409 -162064.4036 -109708.2014 298.2104 150.7599 189.7724 760317.1067 -0.9397 -0.8414 PRESSURE: 3254400 -114.917 146.502 57.7928 146.503 -406.124 -78.3399 57.7935 -78.3396 -331.245 GPRESSURE: 3254400 -157.259 215.837 133.104 135.965 -293.024 -12.6414 -57.6619 -74.3957 -348.969 PRESSAVG: 3254400 48.9752 42.1515 49.9006 42.1515 -88.4537 23.4685 49.9005 23.4686 -15.7424 GPRESSAVG: 3254400 47.64 44.1863 51.9774 39.8399 -88.4268 22.0626 49.0083 22.9016 -14.5246 TIMING: 3254400 CPU: 10284.5, 0.00315995/step Wall: 10284.5, 0.00315995/step, 1.53222 hours remaining, 237.765625 MB of memory in use. ENERGY: 3254400 4034.5822 20472.4434 14443.6752 235.1763 -203512.2261 2253.5194 0.0000 0.0000 51972.9392 -110099.8903 298.6892 -162072.8295 -109736.7404 298.2602 -284.0950 -266.4173 761727.8462 -18.4070 -18.4371 PRESSURE: 3254600 -453.144 -202.87 -4.67177 -202.869 -174.625 293.139 -4.67049 293.138 -346.281 GPRESSURE: 3254600 -435.699 -333.567 2.88423 -296.575 -170.705 240.018 102.903 322.547 -282.82 PRESSAVG: 3254600 0.421695 -46.0678 36.8706 -46.0678 -15.722 46.5369 36.8705 46.5369 -7.59854 GPRESSAVG: 3254600 0.923526 -46.9825 36.3694 -45.9193 -16.7944 47.1405 35.8404 46.1236 -6.76927 TIMING: 3254600 CPU: 10285.1, 0.0031643/step Wall: 10285.1, 0.0031643/step, 1.53416 hours remaining, 237.765625 MB of memory in use. ENERGY: 3254600 4108.9813 20598.0178 14431.1011 244.6222 -203722.6798 2279.8894 0.0000 0.0000 51700.6076 -110359.4604 297.1241 -162060.0680 -110005.8298 298.1279 -324.6833 -296.4080 760779.6321 -7.6329 -7.5467 PRESSURE: 3254800 -267.767 -200.432 124.786 -200.433 -13.1844 -36.535 124.784 -36.5348 145.476 GPRESSURE: 3254800 -246.513 -74.8358 55.7327 -246.613 43.8123 -14.357 92.1456 -63.6787 155.611 PRESSAVG: 3254800 13.1549 -30.7207 -29.0899 -30.7207 -43.7506 -17.3722 -29.0898 -17.3722 -18.7365 GPRESSAVG: 3254800 13.9541 -30.6897 -29.2144 -29.4928 -42.6902 -16.8866 -27.2408 -17.3456 -19.7664 TIMING: 3254800 CPU: 10285.7, 0.00315833/step Wall: 10285.7, 0.00315833/step, 1.53109 hours remaining, 237.765625 MB of memory in use. ENERGY: 3254800 4055.5696 20532.1208 14356.5782 252.9842 -204244.1172 2738.5321 0.0000 0.0000 51877.4732 -110430.8592 298.1406 -162308.3325 -110068.5010 297.9144 -45.1586 -15.6965 761691.3637 -16.4441 -16.1675 PRESSURE: 3255000 -111.22 -273.298 29.4311 -273.298 58.9254 -126.332 29.431 -126.332 91.3997 GPRESSURE: 3255000 -209.192 -183.509 20.8589 -289.94 228.21 -224.442 -53.555 -210.743 106.768 PRESSAVG: 3255000 -54.1099 2.54315 21.7258 2.54313 15.2997 16.2169 21.7258 16.2169 -10.2618 GPRESSAVG: 3255000 -53.9452 3.45005 22.4667 1.96712 14.0685 15.0632 21.0962 15.869 -8.97735 TIMING: 3255000 CPU: 10286.4, 0.00315933/step Wall: 10286.4, 0.00315933/step, 1.5314 hours remaining, 237.765625 MB of memory in use. ENERGY: 3255000 3973.9130 20437.7571 14402.3915 253.2508 -203836.4756 2793.5673 0.0000 0.0000 51917.4587 -110058.1372 298.3703 -161975.5960 -109691.7214 297.5586 13.0352 41.9287 761502.2270 -16.3573 -16.2847 PRESSURE: 3255200 -9.1206 217.575 -101.526 217.574 -107.168 -160.316 -101.526 -160.317 -746.538 GPRESSURE: 3255200 0.835155 129.814 -154.705 204.142 -141.955 -99.694 70.465 -138.209 -635.653 PRESSAVG: 3255200 18.4335 7.38358 20.2887 7.38357 -15.826 -14.5502 20.2887 -14.5502 0.348216 GPRESSAVG: 3255200 17.4429 6.7818 18.2663 7.82867 -14.6917 -13.3974 22.6929 -13.117 0.280202 TIMING: 3255200 CPU: 10287, 0.00315992/step Wall: 10287, 0.00315992/step, 1.53151 hours remaining, 237.765625 MB of memory in use. ENERGY: 3255200 4022.6307 20373.0470 14324.5091 256.7965 -203817.3910 2663.4605 0.0000 0.0000 52054.4793 -110122.4680 299.1578 -162176.9472 -109747.1323 298.5748 -287.6089 -258.9245 760707.6880 0.9852 1.0105 PRESSURE: 3255400 -180.445 -220.1 129.859 -220.101 -203.429 -76.8807 129.858 -76.8792 25.6655 GPRESSURE: 3255400 -123.965 -123.914 102.359 -199.696 -30.9362 -15.694 114.944 -156.677 -104.329 PRESSAVG: 3255400 47.8126 -21.1143 -1.50854 -21.1143 -15.2643 -16.5289 -1.50857 -16.5289 24.8402 GPRESSAVG: 3255400 48.4651 -20.89 1.3922 -20.8635 -15.2085 -15.1653 -3.57016 -19.6796 24.0089 TIMING: 3255400 CPU: 10287.6, 0.00315348/step Wall: 10287.6, 0.00315348/step, 1.52821 hours remaining, 237.765625 MB of memory in use. ENERGY: 3255400 3962.6776 20586.8356 14416.9064 212.8762 -203625.8560 2619.6521 0.0000 0.0000 51843.1400 -109983.7682 297.9432 -161826.9081 -109624.4751 298.7475 -119.4028 -86.4103 761264.2329 19.1295 19.0885 PRESSURE: 3255600 299.341 -127.523 -98.3492 -127.522 -104.795 190.321 -98.3496 190.32 141.888 GPRESSURE: 3255600 315.745 -42.247 -40.7491 -16.8136 -141.912 58.4401 -90.1605 107.085 250.415 PRESSAVG: 3255600 55.3098 -13.0897 -65.6635 -13.0897 -79.5309 13.4286 -65.6634 13.4286 -14.5355 GPRESSAVG: 3255600 54.0174 -12.9271 -65.5731 -11.3794 -79.3944 9.87964 -63.4624 16.2793 -13.3849 TIMING: 3255600 CPU: 10288.3, 0.00316555/step Wall: 10288.3, 0.00316555/step, 1.53389 hours remaining, 237.765625 MB of memory in use. ENERGY: 3255600 3983.0164 20483.9612 14482.0328 246.0535 -204085.4407 2868.6854 0.0000 0.0000 51948.9672 -110072.7242 298.5514 -162021.6914 -109712.3345 298.5783 112.1445 141.4160 761632.0959 -12.9189 -12.9206 PRESSURE: 3255800 -215.656 -11.8971 -67.9386 -11.8966 -150.187 29.8602 -67.9389 29.8605 -436.901 GPRESSURE: 3255800 -194.56 19.1387 -87.7442 -31.2197 -140.897 -18.7412 -21.2534 34.0651 -391.987 PRESSAVG: 3255800 56.6045 31.3051 -4.34905 31.3052 -76.807 -10.3887 -4.34906 -10.3887 17.2443 GPRESSAVG: 3255800 55.3511 31.2245 -4.06654 30.3408 -76.1911 -8.85746 -5.71826 -11.3566 18.2394 TIMING: 3255800 CPU: 10288.9, 0.0031802/step Wall: 10288.9, 0.0031802/step, 1.54081 hours remaining, 237.765625 MB of memory in use. ENERGY: 3255800 3883.3673 20721.3942 14407.2772 236.6518 -203609.3397 2390.3979 0.0000 0.0000 51896.5288 -110073.7225 298.2501 -161970.2514 -109714.0693 298.6200 -267.5814 -242.4814 761136.7644 -0.9861 -0.8669 PRESSURE: 3256000 185.696 46.6661 28.5212 46.6665 -250.36 34.2636 28.5216 34.2637 -176.456 GPRESSURE: 3256000 205.379 21.087 49.0344 15.1611 -195.981 53.3128 -126.29 -65.9526 -157.324 PRESSAVG: 3256000 64.826 3.63377 2.59029 3.63367 -83.7486 24.1137 2.59026 24.1136 2.92696 GPRESSAVG: 3256000 66.712 3.43387 -0.284826 3.14856 -84.7327 23.2218 0.845558 24.3753 1.26711 TIMING: 3256000 CPU: 10289.5, 0.0031751/step Wall: 10289.5, 0.0031751/step, 1.53816 hours remaining, 237.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3256000 3987.9824 20371.8314 14449.6412 246.2801 -203617.7401 2678.6848 0.0000 0.0000 51898.1994 -109985.1208 298.2597 -161883.3202 -109620.6897 298.2109 -80.3734 -49.3089 762570.8743 -5.3319 -5.5845 PRESSURE: 3256200 -232.277 -253.988 -135.13 -253.987 0.247022 -20.3632 -135.13 -20.3625 18.5595 GPRESSURE: 3256200 -114.343 -105.993 -196.649 -175.746 26.6825 -16.4939 -71.3394 -16.616 -44.9372 PRESSAVG: 3256200 78.6531 -13.3299 -7.33743 -13.3299 -67.8908 -27.9158 -7.33736 -27.9158 -11.8335 GPRESSAVG: 3256200 78.0881 -14.3679 -4.45956 -15.3727 -66.9263 -26.977 -7.08709 -29.1422 -11.6342 TIMING: 3256200 CPU: 10290.2, 0.00315844/step Wall: 10290.2, 0.00315843/step, 1.52991 hours remaining, 237.765625 MB of memory in use. ENERGY: 3256200 3918.7660 20374.1478 14377.9740 242.1332 -203893.0891 2790.5409 0.0000 0.0000 52151.8949 -110037.6324 299.7177 -162189.5273 -109671.1219 298.2382 -71.1567 -44.1992 761214.6534 -0.3571 -0.1575 LDB: ============= START OF LOAD BALANCING ============== 10302.6 LDB: ============== END OF LOAD BALANCING =============== 10302.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10302.6 LDB: ============= START OF LOAD BALANCING ============== 10302.9 LDB: Largest compute 7060 load 0.033194 is 16.9% of average load 0.196004 LDB: Average compute 0.004387 is 2.2% of average load 0.196004 LDB: TIME 10302.9 LOAD: AVG 0.196004 MAX 0.215228 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 10302.9 LOAD: AVG 0.196004 MAX 0.215228 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 10302.9 LOAD: AVG 0.196004 MAX 0.215228 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 10302.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10302.9 PRESSURE: 3256400 64.1008 -28.6209 -325.411 -28.6206 117.864 -64.6996 -325.412 -64.7004 24.6821 GPRESSURE: 3256400 91.9791 -87.2165 -360.905 60.39 168.693 -29.4644 -214.376 -10.4202 9.43263 PRESSAVG: 3256400 50.9522 -32.3677 1.76579 -32.3677 -50.969 8.60005 1.7657 8.60003 20.6577 GPRESSAVG: 3256400 51.563 -31.3881 -0.937628 -30.7764 -51.5763 8.55824 3.24284 10.2372 20.8499 TIMING: 3256400 CPU: 10290.8, 0.00322094/step Wall: 10290.8, 0.00322094/step, 1.56001 hours remaining, 237.128906 MB of memory in use. ENERGY: 3256400 3959.7675 20598.7678 14473.4042 254.2947 -204074.2817 2659.8312 0.0000 0.0000 52104.5551 -110023.6612 299.4456 -162128.2163 -109656.2924 298.9414 68.8822 90.0351 760806.3196 6.8803 6.9455 PRESSURE: 3256600 267.249 -79.9675 84.4509 -79.9675 -35.283 20.8658 84.4505 20.8661 -363.561 GPRESSURE: 3256600 181.935 -192.265 95.9625 -120.503 29.8273 -27.5367 -70.8391 -71.015 -263.403 PRESSAVG: 3256600 55.8744 -29.2583 -17.6905 -29.2583 -7.38691 -9.37331 -17.6905 -9.37332 3.6106 GPRESSAVG: 3256600 56.4763 -28.6338 -15.0621 -30.2461 -7.36868 -7.9545 -20.0662 -11.3107 3.11062 TIMING: 3256600 CPU: 10291.4, 0.0031507/step Wall: 10291.4, 0.0031507/step, 1.52581 hours remaining, 237.332031 MB of memory in use. ENERGY: 3256600 3955.5127 20539.9465 14381.3055 255.1507 -203937.6963 2882.5971 0.0000 0.0000 52054.4887 -109868.6951 299.1579 -161923.1839 -109514.6846 298.6576 -43.8647 -17.2136 761217.2568 17.3660 17.4061 PRESSURE: 3256800 -92.3599 -248.998 100.158 -248.998 11.542 -5.02273 100.157 -5.02245 -78.362 GPRESSURE: 3256800 -99.7711 -324.35 124.745 -286.639 29.1806 72.0545 73.0794 -27.8501 -7.13064 PRESSAVG: 3256800 37.1588 -5.59735 13.8253 -5.59733 -5.98769 23.7377 13.8251 23.7377 7.62613 GPRESSAVG: 3256800 35.7256 -5.89667 13.9769 -7.97674 -5.96155 23.9628 12.8148 23.99 8.81586 TIMING: 3256800 CPU: 10292.1, 0.00317022/step Wall: 10292.1, 0.00317022/step, 1.53509 hours remaining, 237.332031 MB of memory in use. ENERGY: 3256800 4002.0502 20670.8676 14374.5603 233.3876 -203237.4530 2429.7414 0.0000 0.0000 51791.7498 -109735.0961 297.6479 -161526.8459 -109377.6712 298.6779 -53.0600 -25.9071 760738.2670 12.9324 12.8600 PRESSURE: 3257000 -166.615 81.6807 -244.529 81.681 -109.453 -141.999 -244.529 -142 29.3094 GPRESSURE: 3257000 -182.707 188.711 -236.625 160.432 -22.1531 -208.518 -108.601 -72.4365 52.1649 PRESSAVG: 3257000 55.3722 -7.48771 24.7256 -7.48773 -23.5826 0.839639 24.7256 0.839659 -2.57354 GPRESSAVG: 3257000 55.1982 -6.64488 24.2536 -5.95239 -22.5783 -0.810652 24.6491 1.27485 -3.09422 TIMING: 3257000 CPU: 10292.7, 0.00315609/step Wall: 10292.7, 0.00315609/step, 1.52807 hours remaining, 237.332031 MB of memory in use. ENERGY: 3257000 4028.2007 20562.8297 14427.5034 236.0022 -203140.8508 2310.4744 0.0000 0.0000 51922.5269 -109653.3135 298.3995 -161575.8404 -109288.0704 298.6109 -82.2527 -50.8983 761959.4203 9.7387 9.8419 PRESSURE: 3257200 -352.71 -97.6931 -213.841 -97.6934 208.484 -417.278 -213.84 -417.276 -695.521 GPRESSURE: 3257200 -229.347 -131.248 -138.065 -74.2121 88.9191 -441.371 -47.2375 -362.86 -614.557 PRESSAVG: 3257200 22.1976 0.536349 23.34 0.536408 8.6601 -9.36528 23.34 -9.3653 3.11806 GPRESSAVG: 3257200 23.1307 0.635455 22.1143 -0.249544 7.91024 -7.86552 25.7381 -9.58415 3.19604 TIMING: 3257200 CPU: 10293.3, 0.00314717/step Wall: 10293.3, 0.00314717/step, 1.52358 hours remaining, 237.332031 MB of memory in use. ENERGY: 3257200 4083.9810 20628.9377 14382.1408 232.9707 -203543.7765 2528.2135 0.0000 0.0000 52055.3896 -109632.1431 299.1630 -161687.5327 -109275.0496 299.3174 -279.9155 -251.6615 761120.9418 11.3253 11.4123 PRESSURE: 3257400 50.8044 -172.302 122.946 -172.302 -186.941 267.979 122.946 267.98 64.0023 GPRESSURE: 3257400 88.1671 -204.776 91.1318 -226.473 -220.833 322.035 109.568 252.036 121.906 PRESSAVG: 3257400 52.3643 -52.0001 -1.18021 -52.0002 -51.7073 26.7452 -1.18025 26.7451 -17.3635 GPRESSAVG: 3257400 51.5076 -54.3446 -0.21187 -50.06 -51.7955 25.7718 -2.93781 27.8769 -16.5254 TIMING: 3257400 CPU: 10294, 0.00316248/step Wall: 10294, 0.00316248/step, 1.53082 hours remaining, 237.332031 MB of memory in use. ENERGY: 3257400 3992.0274 20641.3788 14462.0539 243.6392 -203497.7034 2505.4773 0.0000 0.0000 51997.1222 -109656.0046 298.8282 -161653.1268 -109296.7439 299.3886 -24.0447 -3.5866 761212.3825 -5.5688 -5.6044 PRESSURE: 3257600 -389.265 189.153 -117.775 189.154 -480.547 -52.3643 -117.776 -52.3638 -209.049 GPRESSURE: 3257600 -317.873 111.25 -133.309 297.266 -341.694 -128.249 -51.1135 33.5319 -336.406 PRESSAVG: 3257600 49.7048 -41.0043 -44.8971 -41.0042 -52.0467 -9.07937 -44.8971 -9.07934 5.33176 GPRESSAVG: 3257600 50.5954 -40.6202 -46.044 -41.1432 -51.4422 -10.2006 -42.6277 -9.67125 3.85375 TIMING: 3257600 CPU: 10294.6, 0.00316901/step Wall: 10294.6, 0.00316901/step, 1.5338 hours remaining, 237.332031 MB of memory in use. ENERGY: 3257600 4004.6226 20629.2246 14500.3685 252.2924 -203469.1494 2460.0599 0.0000 0.0000 51949.3820 -109673.1995 298.5538 -161622.5814 -109324.8120 299.0200 -359.6203 -331.9911 762597.5402 0.9966 1.0023 PRESSURE: 3257800 26.0468 -6.05549 213.402 -6.05561 58.0875 -99.2856 213.403 -99.2851 58.0187 GPRESSURE: 3257800 62.3541 -58.7872 157.465 -55.0449 86.6621 -121.33 306.63 -38.2345 76.04 PRESSAVG: 3257800 104.552 12.9538 -34.722 12.9538 -98.9683 0.5179 -34.7221 0.517934 17.7661 GPRESSAVG: 3257800 104.794 15.4448 -33.4715 9.75124 -99.3576 0.796712 -35.5381 0.853925 18.1216 TIMING: 3257800 CPU: 10295.2, 0.003185/step Wall: 10295.2, 0.00318501/step, 1.54137 hours remaining, 237.332031 MB of memory in use. ENERGY: 3257800 4014.5228 20545.7795 14393.9716 257.6534 -203635.8971 2563.5531 0.0000 0.0000 52212.5589 -109647.8579 300.0663 -161860.4168 -109276.1372 299.3257 47.3843 75.0187 759291.8620 7.7832 7.8525 PRESSURE: 3258000 241.633 130.205 -27.2112 130.205 -211.912 392.007 -27.2109 392.006 20.4886 GPRESSURE: 3258000 267.23 101.947 -89.5176 169.397 -189.961 364.063 -236.342 212.273 65.2671 PRESSAVG: 3258000 90.6129 26.5545 5.37789 26.5546 -68.0256 24.3878 5.37787 24.3878 21.7839 GPRESSAVG: 3258000 90.1229 26.2574 5.49059 30.4748 -67.9678 23.2114 2.60544 24.0955 22.6556 TIMING: 3258000 CPU: 10295.9, 0.00318314/step Wall: 10295.9, 0.00318314/step, 1.54029 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3258000 4038.4073 20500.4347 14453.6932 266.0733 -203643.3496 2703.8595 0.0000 0.0000 52044.3557 -109636.5258 299.0996 -161680.8816 -109265.8439 299.5883 16.7364 47.5118 760167.0530 14.7904 14.9369 PRESSURE: 3258200 -40.6431 -146.19 68.2493 -146.191 -434.591 -156.163 68.2485 -156.162 -249.198 GPRESSURE: 3258200 -55.9212 -136.259 32.7758 -60.1666 -337.963 -132.382 24.27 -78.8435 -244.746 PRESSAVG: 3258200 6.7743 21.749 -37.3378 21.749 -25.7037 32.5601 -37.3377 32.5601 27.0404 GPRESSAVG: 3258200 7.10139 21.1441 -38.4812 22.0251 -25.914 33.4347 -35.6067 31.893 27.1938 TIMING: 3258200 CPU: 10296.5, 0.00317862/step Wall: 10296.5, 0.00317861/step, 1.53792 hours remaining, 237.332031 MB of memory in use. ENERGY: 3258200 4079.5201 20619.7645 14453.4423 249.4103 -203665.3932 2564.0783 0.0000 0.0000 52109.5253 -109589.6524 299.4742 -161699.1777 -109229.2279 299.3268 -241.4771 -212.8768 760590.5235 2.7036 2.7937 PRESSURE: 3258400 -289.966 -70.2184 -21.7189 -70.218 -568.116 -277.319 -21.7179 -277.319 78.1849 GPRESSURE: 3258400 -218.5 -16.7341 28.9418 -23.0448 -443.122 -217.896 25.0194 -221.895 -62.0008 PRESSAVG: 3258400 36.4559 -27.2917 -31.2825 -27.2916 -66.2092 50.3023 -31.2825 50.3022 -0.967409 GPRESSAVG: 3258400 36.6211 -26.197 -31.7936 -30.9513 -65.4111 50.1336 -28.2739 49.3784 -2.12928 TIMING: 3258400 CPU: 10297.1, 0.00315742/step Wall: 10297.1, 0.00315742/step, 1.52749 hours remaining, 237.332031 MB of memory in use. ENERGY: 3258400 4035.1058 20504.4675 14423.5025 263.5815 -203584.8322 2415.4144 0.0000 0.0000 52343.0372 -109599.7232 300.8162 -161942.7604 -109235.0330 299.5737 -259.9655 -241.2074 760176.3278 -10.2403 -10.3064 PRESSURE: 3258600 29.0551 -233.793 146.564 -233.792 230.577 7.78207 146.563 7.78242 163.188 GPRESSURE: 3258600 35.7548 -99.708 127.941 -224.284 269.482 53.2225 27.9837 -67.9029 201.124 PRESSAVG: 3258600 55.5822 -8.33227 5.29855 -8.33225 -27.0045 -8.64196 5.29862 -8.64192 14.447 GPRESSAVG: 3258600 55.2467 -8.71667 6.44341 -5.19943 -26.7775 -8.1926 1.19485 -7.98916 14.8584 TIMING: 3258600 CPU: 10297.8, 0.00316682/step Wall: 10297.8, 0.00316682/step, 1.53186 hours remaining, 237.332031 MB of memory in use. ENERGY: 3258600 3858.2382 20670.1926 14433.4718 252.7091 -203720.6293 2797.2136 0.0000 0.0000 52013.4712 -109695.3328 298.9221 -161708.8040 -109346.4832 299.2851 140.9399 168.7870 759300.0096 14.3416 14.4425 PRESSURE: 3258800 -27.0025 20.9622 -78.8447 20.9611 -83.8412 94.6559 -78.8445 94.6565 -114.403 GPRESSURE: 3258800 8.98121 -4.66993 -84.7475 42.9175 -37.5936 72.4644 -8.12375 124.57 -118.143 PRESSAVG: 3258800 -37.0372 -20.3409 -24.1195 -20.3409 53.3736 30.7145 -24.1195 30.7144 10.264 GPRESSAVG: 3258800 -35.3383 -21.1999 -25.1211 -19.8664 52.805 30.3082 -21.407 30.8706 9.11793 TIMING: 3258800 CPU: 10298.4, 0.00318188/step Wall: 10298.4, 0.00318188/step, 1.53897 hours remaining, 237.332031 MB of memory in use. ENERGY: 3258800 3995.1776 20729.7075 14462.6249 262.2869 -203630.0657 2728.1739 0.0000 0.0000 51922.5805 -109529.5145 298.3998 -161452.0950 -109173.4252 299.3287 -75.0822 -48.9184 760779.9061 8.8668 8.8615 PRESSURE: 3259000 122.031 -22.6109 100.647 -22.6112 259.075 -56.622 100.647 -56.6214 -38.005 GPRESSURE: 3259000 179.917 -72.0069 107.209 113.577 316.242 18.5768 77.678 -62.3859 -49.1723 PRESSAVG: 3259000 -6.2132 -10.124 17.146 -10.1239 37.6628 -3.86377 17.1459 -3.86375 0.185972 GPRESSAVG: 3259000 -7.87877 -10.6305 19.4554 -12.2508 37.621 -3.84349 13.1027 -3.31803 1.5121 TIMING: 3259000 CPU: 10299, 0.00318036/step Wall: 10299, 0.00318036/step, 1.53806 hours remaining, 237.332031 MB of memory in use. ENERGY: 3259000 3898.7447 20718.8639 14468.8873 248.0213 -203938.5350 2846.2037 0.0000 0.0000 52076.5079 -109681.3062 299.2844 -161757.8140 -109317.6461 299.4638 114.3673 148.9954 759351.1244 10.5452 10.4181 PRESSURE: 3259200 -210.85 11.0946 112.32 11.0948 -88.9289 90.3105 112.32 90.3106 108.237 GPRESSURE: 3259200 -85.1683 -33.5582 110.722 -27.7339 -72.0546 108.053 40.1005 -10.2852 33.5679 PRESSAVG: 3259200 41.4163 -20.9848 -16.6659 -20.9848 -32.5621 15.4572 -16.6658 15.4572 -10.833 GPRESSAVG: 3259200 42.2874 -21.3037 -18.4653 -17.9432 -32.9477 16.5436 -13.7929 14.1739 -11.0496 TIMING: 3259200 CPU: 10299.7, 0.00317501/step Wall: 10299.7, 0.00317502/step, 1.5353 hours remaining, 237.332031 MB of memory in use. ENERGY: 3259200 4046.0251 20439.5534 14480.1487 248.8716 -203469.0060 2480.3518 0.0000 0.0000 52194.0362 -109580.0192 299.9598 -161774.0553 -109217.3878 299.5259 -63.8473 -41.2183 759672.4242 -0.6596 -0.5700 PRESSURE: 3259400 15.3673 99.9085 17.607 99.9081 -149.46 -10.8801 17.607 -10.8812 -177.442 GPRESSURE: 3259400 44.643 143.944 -28.867 17.7598 -136.297 -104.414 -41.6799 -71.0555 -161.766 PRESSAVG: 3259400 14.22 -1.41155 -9.14021 -1.41161 -6.44765 16.0823 -9.14017 16.0824 -25.247 GPRESSAVG: 3259400 12.682 -0.0368435 -10.3533 -4.1382 -5.93777 15.7507 -9.03695 14.3793 -24.9053 TIMING: 3259400 CPU: 10300.3, 0.00318859/step Wall: 10300.3, 0.00318859/step, 1.54168 hours remaining, 237.332031 MB of memory in use. ENERGY: 3259400 4026.6829 20562.7632 14411.0437 231.0999 -203533.9299 2485.0263 0.0000 0.0000 51968.3577 -109848.9562 298.6629 -161817.3139 -109477.2691 299.0364 -103.8451 -84.4735 760765.9290 -5.8249 -6.0537 PRESSURE: 3259600 309.361 -52.2307 -37.5031 -52.2303 71.4852 121.705 -37.5041 121.707 395.726 GPRESSURE: 3259600 358.003 -37.9272 -92.8293 -46.5128 148.604 227.792 -24.1138 116.82 360.163 PRESSAVG: 3259600 34.0295 -58.3113 -10.622 -58.3112 -7.56849 -24.18 -10.6219 -24.18 23.6862 GPRESSAVG: 3259600 35.277 -58.286 -9.20531 -57.1494 -8.94567 -24.1513 -11.396 -21.8082 24.2951 TIMING: 3259600 CPU: 10300.9, 0.00317104/step Wall: 10300.9, 0.00317104/step, 1.53302 hours remaining, 237.332031 MB of memory in use. ENERGY: 3259600 3967.5493 20633.4741 14498.2026 268.0826 -203914.4170 2760.5678 0.0000 0.0000 51849.8244 -109936.7161 297.9817 -161786.5405 -109574.9466 298.7652 258.8575 288.9231 760941.2166 16.7157 16.8755 PRESSURE: 3259800 -92.4498 -248.572 -58.4574 -248.572 -272.292 -109.13 -58.4575 -109.129 63.8328 GPRESSURE: 3259800 -129.187 -184.047 -2.6241 -114.818 -162.091 -61.0239 176.548 -138.531 73.3743 PRESSAVG: 3259800 29.863 -18.6006 -11.0505 -18.6006 -33.9579 35.9399 -11.0505 35.9399 2.63975 GPRESSAVG: 3259800 29.9687 -17.4596 -9.97916 -17.9648 -32.3558 36.2088 -9.58515 38.1029 1.30772 TIMING: 3259800 CPU: 10301.6, 0.00315879/step Wall: 10301.6, 0.00315879/step, 1.52693 hours remaining, 237.332031 MB of memory in use. ENERGY: 3259800 3995.2537 20588.2859 14504.2609 242.4795 -203986.3843 2638.7198 0.0000 0.0000 52375.8016 -109641.5829 301.0045 -162017.3845 -109274.7909 299.0579 -100.3029 -72.6344 762604.8667 -0.4850 -0.3598 PRESSURE: 3260000 202.905 66.5477 -28.2112 66.549 111.719 -77.7711 -28.2109 -77.7716 43.3112 GPRESSURE: 3260000 248.914 174.405 -4.37638 -27.0635 164.049 -138.841 -150.929 -41.5902 35.4124 PRESSAVG: 3260000 3.61421 19.6561 59.9727 19.656 -29.6379 -5.65424 59.9727 -5.65428 -7.59168 GPRESSAVG: 3260000 3.99061 17.7448 59.0742 18.4956 -30.1414 -5.50161 59.8449 -7.24951 -6.8694 TIMING: 3260000 CPU: 10302.2, 0.00316091/step Wall: 10302.2, 0.00316091/step, 1.52777 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3260000 3878.1083 20385.8305 14497.2129 250.9250 -203700.7396 2715.0440 0.0000 0.0000 52316.6305 -109656.9883 300.6644 -161973.6188 -109291.4192 298.9243 119.3118 149.4583 759040.3275 -11.2051 -11.0067 PRESSURE: 3260200 -280.94 -4.91649 223.41 -4.91633 -9.21471 -82.7154 223.408 -82.7144 -246.028 GPRESSURE: 3260200 -186.379 8.00747 172.358 -28.9946 55.9589 -99.4749 253.941 -51.741 -307.347 PRESSAVG: 3260200 42.8885 -20.5963 44.8773 -20.5962 -0.150525 -19.0236 44.8773 -19.0237 -5.23727 GPRESSAVG: 3260200 43.3252 -18.2154 45.5064 -21.1186 -0.626137 -19.409 41.7894 -19.1892 -5.2717 TIMING: 3260200 CPU: 10302.8, 0.00317435/step Wall: 10302.8, 0.00317435/step, 1.53409 hours remaining, 237.332031 MB of memory in use. ENERGY: 3260200 3984.2520 20489.3352 14453.0698 248.9615 -203122.4231 2367.0942 0.0000 0.0000 51785.2445 -109794.4659 297.6105 -161579.7104 -109426.3692 298.9535 -178.7276 -145.9221 761171.0946 12.5003 12.4758 LDB: ============= START OF LOAD BALANCING ============== 10315.2 LDB: ============== END OF LOAD BALANCING =============== 10315.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10315.2 LDB: ============= START OF LOAD BALANCING ============== 10315.6 LDB: Largest compute 7060 load 0.031339 is 16.0% of average load 0.196011 LDB: Average compute 0.004394 is 2.2% of average load 0.196011 LDB: TIME 10315.6 LOAD: AVG 0.196011 MAX 0.216547 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 10315.6 LOAD: AVG 0.196011 MAX 0.216547 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 10315.6 LOAD: AVG 0.196011 MAX 0.216547 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 10315.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10315.6 PRESSURE: 3260400 -240.362 72.9803 -63.4995 72.9801 -190.451 -153.814 -63.4996 -153.815 -335.13 GPRESSURE: 3260400 -315.78 6.67989 10.8534 14.7985 -99.0244 -95.6111 -10.611 -120.438 -263.098 PRESSAVG: 3260400 27.446 -36.9316 65.4381 -36.9317 -52.226 5.80411 65.4381 5.80408 -9.07518 GPRESSAVG: 3260400 26.7665 -39.1167 64.2826 -37.0808 -50.6211 6.65914 66.5211 3.4495 -9.93543 TIMING: 3260400 CPU: 10303.5, 0.00324493/step Wall: 10303.5, 0.00324493/step, 1.56802 hours remaining, 239.382812 MB of memory in use. ENERGY: 3260400 4006.2687 20600.1677 14510.3459 262.4139 -203382.2503 2458.1086 0.0000 0.0000 52005.5709 -109539.3747 298.8767 -161544.9455 -109183.6105 299.1626 -255.3142 -225.9676 760555.6353 -11.2851 -11.2634 PRESSURE: 3260600 -376.808 51.9277 -140.348 51.9274 -149.529 -123.55 -140.348 -123.549 391.218 GPRESSURE: 3260600 -266.032 93.6866 -115.468 61.8988 -113.899 -111.596 -38.4458 103.988 326.488 PRESSAVG: 3260600 -0.847565 -18.6284 2.53535 -18.6283 -1.51288 51.1484 2.53535 51.1484 8.40025 GPRESSAVG: 3260600 0.287547 -16.1657 2.14212 -19.1031 -2.90919 50.3508 3.51276 54.5527 8.52078 TIMING: 3260600 CPU: 10304.1, 0.0031654/step Wall: 10304.1, 0.0031654/step, 1.52941 hours remaining, 239.382812 MB of memory in use. ENERGY: 3260600 3940.0498 20556.5978 14515.1200 243.5007 -203146.0602 2312.5777 0.0000 0.0000 51978.8608 -109599.3534 298.7232 -161578.2142 -109243.3094 299.5100 -45.0397 -17.8145 761616.6979 2.0133 1.9664 PRESSURE: 3260800 -228.87 -38.7139 110.779 -38.7141 -59.7366 -61.4889 110.779 -61.4903 364.786 GPRESSURE: 3260800 -226.603 -9.65049 91.57 44.0355 0.390085 24.2828 -1.37239 -23.2115 383.201 PRESSAVG: 3260800 -42.8257 -38.1327 24.8944 -38.1328 32.4788 36.6431 24.8944 36.6431 -5.69908 GPRESSAVG: 3260800 -45.1796 -39.1129 26.4743 -38.909 33.2015 36.9377 23.0427 35.8309 -4.10453 TIMING: 3260800 CPU: 10304.8, 0.00318481/step Wall: 10304.8, 0.00318481/step, 1.53862 hours remaining, 239.382812 MB of memory in use. ENERGY: 3260800 3952.2888 20541.3478 14461.0088 241.8091 -202821.3665 2322.7979 0.0000 0.0000 51848.4431 -109453.6709 297.9737 -161302.1140 -109098.1198 299.5228 25.3931 52.3293 761326.2768 -5.3486 -5.3609 PRESSURE: 3261000 23.1087 -160.626 430.93 -160.626 38.1083 360.388 430.931 360.388 67.8154 GPRESSURE: 3261000 92.1086 -159.37 494.216 -176.353 57.3551 290.037 358.495 200.228 65.1843 PRESSAVG: 3261000 32.7457 -13.435 52.5504 -13.435 -5.00353 49.0564 52.5503 49.0564 6.89423 GPRESSAVG: 3261000 33.1858 -15.4189 52.0118 -9.89254 -5.58182 48.1681 54.3548 47.6307 7.39063 TIMING: 3261000 CPU: 10305.4, 0.00314594/step Wall: 10305.4, 0.00314594/step, 1.51966 hours remaining, 239.382812 MB of memory in use. ENERGY: 3261000 4068.8265 20687.0564 14464.1538 228.9565 -203799.1048 2749.5208 0.0000 0.0000 52107.4640 -109493.1266 299.4623 -161600.5907 -109144.7132 299.3678 43.0108 71.5493 759673.5062 11.5455 11.6649 PRESSURE: 3261200 -100.746 170.228 -217.775 170.228 -147.574 69.4132 -217.775 69.4135 -102.482 GPRESSURE: 3261200 -44.0388 231.41 -285.279 187.401 -128.64 11.1782 -130.893 11.1958 -84.7135 PRESSAVG: 3261200 48.3839 53.3851 29.5932 53.3851 -25.3356 52.4684 29.5932 52.4684 7.29959 GPRESSAVG: 3261200 49.4108 54.1276 29.5633 50.4123 -24.3872 53.2722 29.0942 53.0711 5.27324 TIMING: 3261200 CPU: 10306, 0.00314743/step Wall: 10306, 0.00314743/step, 1.52021 hours remaining, 239.382812 MB of memory in use. ENERGY: 3261200 3989.3652 20779.0738 14447.5163 243.5776 -203469.9497 2686.4344 0.0000 0.0000 51994.8307 -109329.1518 298.8150 -161323.9825 -108976.4137 300.0331 -116.9340 -85.7974 761313.6980 10.1159 10.0989 PRESSURE: 3261400 -211.537 -111.88 -45.4515 -111.881 -12.7248 -17.818 -45.4509 -17.8186 -53.2392 GPRESSURE: 3261400 -115.228 -33.0226 -14.5677 -293.398 -27.4466 12.5679 -87.9088 -66.5094 -46.7021 PRESSAVG: 3261400 19.2287 22.2942 -17.8198 22.2942 10.3277 -6.30714 -17.8198 -6.30711 -11.5371 GPRESSAVG: 3261400 19.2246 23.7228 -18.0838 23.0117 9.60572 -5.97063 -17.7347 -5.25867 -11.0771 TIMING: 3261400 CPU: 10306.7, 0.00316843/step Wall: 10306.7, 0.00316843/step, 1.53017 hours remaining, 239.382812 MB of memory in use. ENERGY: 3261400 4028.6084 20675.4113 14485.3506 243.8126 -203270.7522 2312.3984 0.0000 0.0000 52148.9996 -109376.1714 299.7010 -161525.1709 -109022.0393 299.4107 -92.5004 -63.1254 760719.3121 6.0065 5.9177 PRESSURE: 3261600 0.579108 165.47 -72.796 165.47 -509.805 -20.2655 -72.7963 -20.2667 -282.465 GPRESSURE: 3261600 -56.16 122.477 48.215 151.134 -448.425 -69.9776 -207.641 24.2192 -228.949 PRESSAVG: 3261600 -5.26495 -10.2416 -22.5746 -10.2416 6.57238 7.85813 -22.5746 7.85817 12.763 GPRESSAVG: 3261600 -6.69349 -9.3375 -24.1001 -10.0809 7.54849 6.39009 -21.6585 8.55542 13.7755 TIMING: 3261600 CPU: 10307.3, 0.00317199/step Wall: 10307.3, 0.00317199/step, 1.53172 hours remaining, 239.382812 MB of memory in use. ENERGY: 3261600 4034.8120 20598.5202 14508.8798 247.6350 -203487.3758 2292.8840 0.0000 0.0000 52084.2450 -109720.3998 299.3289 -161804.6448 -109360.2255 299.4951 -263.8969 -244.5111 759605.0652 4.6902 4.8768 PRESSURE: 3261800 -226.523 153.363 -94.4983 153.363 -373.167 -111.151 -94.4985 -111.149 -371.681 GPRESSURE: 3261800 -185.785 114.663 -126.586 156.737 -280.855 -68.6727 -78.7213 -146.545 -425 PRESSAVG: 3261800 -10.1235 18.9666 -56.0518 18.9666 -46.6243 -18.4071 -56.0518 -18.4071 16.1111 GPRESSAVG: 3261800 -9.3561 17.7785 -55.7902 19.326 -46.2127 -16.4502 -57.3018 -20.7419 14.8109 TIMING: 3261800 CPU: 10307.9, 0.00317093/step Wall: 10307.9, 0.00317092/step, 1.53103 hours remaining, 239.382812 MB of memory in use. ENERGY: 3261800 3998.2976 20576.6160 14421.3888 248.0197 -203390.6461 2595.1927 0.0000 0.0000 51746.9541 -109804.1773 297.3905 -161551.1314 -109437.1984 298.5338 -323.7904 -297.2133 761096.3211 -13.5456 -13.5860 PRESSURE: 3262000 332.949 60.7264 -3.46916 60.7264 -6.89565 -13.4237 -3.46901 -13.4226 -70.0673 GPRESSURE: 3262000 248.753 160.458 27.1355 12.2678 121.911 -8.53383 47.1463 -111.421 -26.2036 PRESSAVG: 3262000 50.9173 -10.8874 -29.9737 -10.8874 -38.9721 0.392035 -29.9737 0.391989 -4.8326 GPRESSAVG: 3262000 49.4959 -12.1234 -28.8746 -13.0085 -39.6959 -1.6742 -29.0039 -1.47131 -3.18425 TIMING: 3262000 CPU: 10308.6, 0.00314631/step Wall: 10308.6, 0.00314631/step, 1.51897 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3262000 4007.0540 20656.3745 14496.3744 250.9847 -203536.8318 2623.6278 0.0000 0.0000 51817.2817 -109685.1346 297.7946 -161502.4163 -109326.6281 298.9963 85.3286 114.8201 761252.7235 2.3709 2.2052 PRESSURE: 3262200 31.0252 61.9578 22.7137 61.9584 37.2056 126.658 22.7136 126.657 169.466 GPRESSURE: 3262200 73.4695 78.4484 -41.639 52.6 72.0593 126.955 31.0765 261.784 165.091 PRESSAVG: 3262200 65.1098 5.82455 -17.8151 5.82462 -5.8569 -38.4156 -17.8151 -38.4157 -15.9355 GPRESSAVG: 3262200 66.4326 5.60933 -17.7251 7.04566 -6.2673 -38.701 -18.0965 -36.3318 -16.4632 TIMING: 3262200 CPU: 10309.2, 0.00316171/step Wall: 10309.2, 0.00316171/step, 1.52623 hours remaining, 239.382812 MB of memory in use. ENERGY: 3262200 3987.2231 20448.7006 14585.1781 251.3527 -204247.0090 2953.1367 0.0000 0.0000 52119.6626 -109901.7552 299.5324 -162021.4178 -109535.3820 298.8346 79.2324 103.5399 759426.7976 14.4392 14.5674 PRESSURE: 3262400 328.172 -166.199 -384.601 -166.199 221.859 -29.8052 -384.602 -29.8056 83.8721 GPRESSURE: 3262400 341.203 -182.237 -391.194 -201.596 240.723 -36.1164 -485.39 -31.0715 128.589 PRESSAVG: 3262400 10.96 -21.9849 -30.7508 -21.9849 3.52991 14.268 -30.7509 14.268 25.1356 GPRESSAVG: 3262400 9.99342 -20.797 -31.9966 -20.8132 4.89795 13.3032 -30.966 15.4819 25.1151 TIMING: 3262400 CPU: 10309.8, 0.00314431/step Wall: 10309.8, 0.00314431/step, 1.51765 hours remaining, 239.382812 MB of memory in use. ENERGY: 3262400 3989.3945 20528.3487 14479.6499 236.5054 -203447.3037 2728.4061 0.0000 0.0000 51811.9286 -109673.0705 297.7639 -161484.9991 -109312.5030 298.9645 211.3011 236.8383 760793.5009 13.2085 13.3355 PRESSURE: 3262600 -419.23 -124.535 94.7542 -124.535 -302.516 -124.689 94.7546 -124.688 -136.77 GPRESSURE: 3262600 -413.062 -127.508 127.377 -153.47 -237.584 -59.4429 253.776 -194.627 -134.207 PRESSAVG: 3262600 107.507 39.5891 -64.6535 39.5892 -121.819 -31.3081 -64.6534 -31.3081 2.20221 GPRESSAVG: 3262600 106.938 39.4448 -62.3747 39.7046 -121.494 -29.6724 -65.9924 -35.1402 2.85833 TIMING: 3262600 CPU: 10310.4, 0.0031811/step Wall: 10310.4, 0.0031811/step, 1.53524 hours remaining, 239.382812 MB of memory in use. ENERGY: 3262600 3926.0098 20556.6808 14534.2637 256.8604 -203507.4209 2389.0993 0.0000 0.0000 52272.6814 -109571.8256 300.4118 -161844.5070 -109204.8889 299.4607 -286.1719 -261.6176 762451.0598 -4.0368 -3.8992 PRESSURE: 3262800 121.288 69.8113 -245.208 69.811 -361.283 -125.722 -245.207 -125.722 -215.406 GPRESSURE: 3262800 66.466 24.2937 -298.727 36.4676 -234.616 -130.121 -270.729 -24.0575 -189.812 PRESSAVG: 3262800 25.0809 -45.4213 -5.81292 -45.4213 -4.3631 22.0916 -5.81294 22.0916 -9.39684 GPRESSAVG: 3262800 25.3622 -46.583 -8.41094 -46.679 -3.53877 21.0718 -4.72499 26.7822 -10.6129 TIMING: 3262800 CPU: 10311.1, 0.00319412/step Wall: 10311.1, 0.00319412/step, 1.54134 hours remaining, 239.382812 MB of memory in use. ENERGY: 3262800 3974.5432 20618.1715 14486.0994 239.6513 -203015.0086 2246.2316 0.0000 0.0000 51946.3649 -109503.9467 298.5365 -161450.3116 -109141.3919 299.2120 -151.8003 -119.3206 762514.8562 3.7736 3.7368 PRESSURE: 3263000 32.3351 -109.254 62.0529 -109.255 -16.8665 47.7772 62.0529 47.7766 -172.872 GPRESSURE: 3263000 135.484 -152.606 59.9359 -210.819 -33.9888 75.3419 25.4904 26.5307 -155.272 PRESSAVG: 3263000 75.7186 -43.6902 -34.4689 -43.6903 -56.6828 20.4528 -34.4689 20.4529 -10.7247 GPRESSAVG: 3263000 76.47 -42.6579 -34.99 -42.9741 -57.8444 20.2177 -33.3678 18.9137 -10.9552 TIMING: 3263000 CPU: 10311.7, 0.00320036/step Wall: 10311.7, 0.00320036/step, 1.54417 hours remaining, 239.382812 MB of memory in use. ENERGY: 3263000 4045.0752 20629.3824 14443.8135 250.6043 -203509.1810 2582.8750 0.0000 0.0000 52073.9687 -109483.4618 299.2698 -161557.4305 -109132.4420 299.3168 -52.4679 -17.9257 762389.8451 2.7704 2.5568 PRESSURE: 3263200 162.018 -338.735 -4.29336 -338.734 35.6563 -56.5444 -4.29262 -56.544 76.5073 GPRESSURE: 3263200 119.985 -251.447 14.3978 -305.274 117.758 -7.27103 -168.334 -30.5101 117.256 PRESSAVG: 3263200 38.8721 -18.4753 28.1232 -18.4753 -47.1725 78.8979 28.1233 78.8979 2.08345 GPRESSAVG: 3263200 37.0528 -18.5804 28.9025 -19.3361 -46.8804 78.51 23.3353 77.6715 3.43765 TIMING: 3263200 CPU: 10312.4, 0.00317071/step Wall: 10312.4, 0.00317071/step, 1.52969 hours remaining, 239.382812 MB of memory in use. ENERGY: 3263200 4003.7010 20539.5129 14392.6895 243.0908 -203484.1041 2740.9061 0.0000 0.0000 52389.7228 -109174.4809 301.0845 -161564.2037 -108811.4594 299.3093 91.3938 118.3332 760336.7025 -2.0723 -2.1300 PRESSURE: 3263400 158.44 7.55366 71.1943 7.55289 158.296 -81.1959 71.1932 -81.1967 118.603 GPRESSURE: 3263400 192.827 -22.9187 122.228 -8.17861 188.699 -39.5395 72.7761 -57.9492 133.646 PRESSAVG: 3263400 23.379 2.58628 -27.4081 2.58623 0.684153 2.98852 -27.408 2.98851 8.71569 GPRESSAVG: 3263400 23.3841 2.66855 -25.1112 3.46267 0.877166 4.37003 -25.1665 4.67783 8.64236 TIMING: 3263400 CPU: 10313, 0.00317628/step Wall: 10313, 0.00317628/step, 1.5322 hours remaining, 239.382812 MB of memory in use. ENERGY: 3263400 4001.4151 20571.7302 14509.2038 253.9221 -203742.8849 2960.3039 0.0000 0.0000 52174.4391 -109271.8706 299.8472 -161446.3097 -108909.3847 300.0428 145.1131 171.7242 761111.2066 10.9263 10.9679 PRESSURE: 3263600 19.6319 -90.8543 37.9679 -90.855 192.41 -209.689 37.9673 -209.69 -288.132 GPRESSURE: 3263600 -41.9195 -41.2282 53.8026 -36.6299 243.191 -137.813 21.4203 -72.2282 -188.309 PRESSAVG: 3263600 51.4433 24.2604 -40.9775 24.2604 -34.6281 29.2712 -40.9776 29.2713 9.7759 GPRESSAVG: 3263600 51.7545 23.4793 -43.0397 22.1261 -34.4925 28.7323 -39.1273 28.286 9.39114 TIMING: 3263600 CPU: 10313.6, 0.00317347/step Wall: 10313.6, 0.00317347/step, 1.53067 hours remaining, 239.382812 MB of memory in use. ENERGY: 3263600 3972.4777 20678.2965 14388.6794 240.4239 -203747.5064 2867.8525 0.0000 0.0000 52097.1440 -109502.6325 299.4030 -161599.7765 -109136.7290 299.4391 -25.3635 4.3208 761254.8203 8.8637 8.8844 PRESSURE: 3263800 212.712 -23.5175 -13.5903 -23.5171 -3.68985 295.631 -13.5907 295.631 189.133 GPRESSURE: 3263800 175.827 -14.9376 -98.6903 24.7639 186.454 292.39 -6.72526 341.776 123.42 PRESSAVG: 3263800 34.5261 35.3563 -19.2421 35.3563 -23.7416 -14.2376 -19.2421 -14.2376 -0.609005 GPRESSAVG: 3263800 33.9047 35.2056 -19.3751 38.0074 -22.7521 -15.2091 -19.8907 -13.4003 -1.13135 TIMING: 3263800 CPU: 10314.3, 0.00317731/step Wall: 10314.3, 0.00317731/step, 1.53235 hours remaining, 239.382812 MB of memory in use. ENERGY: 3263800 4005.5725 20456.7073 14453.9830 264.2332 -203085.6758 2456.3507 0.0000 0.0000 51889.6149 -109559.2142 298.2103 -161448.8291 -109200.3316 298.8402 132.7184 161.9003 762449.2077 3.3918 3.3404 PRESSURE: 3264000 11.9348 -132.494 30.4941 -132.494 135.557 11.1728 30.4942 11.1723 336.491 GPRESSURE: 3264000 106.542 -166.017 17.8168 -172.908 121.205 -5.07488 125.571 58.0179 337.693 PRESSAVG: 3264000 -1.26475 -13.4671 49.902 -13.4671 -11.0779 -23.046 49.902 -23.0461 6.66209 GPRESSAVG: 3264000 -1.11679 -15.0466 50.2899 -13.9618 -12.2468 -24.3505 50.9521 -23.8256 7.3197 TIMING: 3264000 CPU: 10314.9, 0.00319364/step Wall: 10314.9, 0.00319364/step, 1.54004 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3264000 3899.7177 20555.3320 14456.8794 227.4832 -203492.3159 2849.6089 0.0000 0.0000 52141.9393 -109361.3555 299.6604 -161503.2948 -108995.2240 298.9750 161.3278 188.4803 760495.0018 -1.8935 -2.0146 PRESSURE: 3264200 -176.366 -58.0595 190.064 -58.0583 -250.016 -131.728 190.064 -131.728 -154.414 GPRESSURE: 3264200 -134.617 -71.4835 204.298 -56.6272 -191.579 -100.473 19.154 -56.2078 -167.776 PRESSAVG: 3264200 10.723 -11.4213 41.9426 -11.4214 5.22345 1.74396 41.9427 1.74406 -8.96799 GPRESSAVG: 3264200 10.1733 -9.56337 41.4374 -14.4283 4.97779 3.10549 40.9008 1.58081 -8.32553 TIMING: 3264200 CPU: 10315.5, 0.00319615/step Wall: 10315.5, 0.00319615/step, 1.54108 hours remaining, 239.382812 MB of memory in use. ENERGY: 3264200 3983.2744 20347.3084 14414.1675 230.7441 -203274.1489 2692.7405 0.0000 0.0000 52189.2455 -109416.6685 299.9323 -161605.9140 -109053.9860 299.3675 -193.5984 -164.6573 762923.9855 2.3262 2.2752 LDB: ============= START OF LOAD BALANCING ============== 10327.9 LDB: ============== END OF LOAD BALANCING =============== 10328 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10328 LDB: ============= START OF LOAD BALANCING ============== 10328.3 LDB: Largest compute 7033 load 0.032077 is 16.4% of average load 0.196047 LDB: Average compute 0.004375 is 2.2% of average load 0.196047 LDB: TIME 10328.3 LOAD: AVG 0.196047 MAX 0.21757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 10328.3 LOAD: AVG 0.196047 MAX 0.21757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 10328.3 LOAD: AVG 0.196047 MAX 0.21757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 10328.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10328.3 PRESSURE: 3264400 174.659 -171.671 44.627 -171.67 -112.587 73.698 44.6264 73.6979 279.017 GPRESSURE: 3264400 235.17 -215.801 93.2843 -125.17 -26.3874 99.8464 82.6317 26.0764 208.669 PRESSAVG: 3264400 -60.0472 -31.5441 2.5526 -31.544 10.2832 -40.2287 2.55258 -40.2288 4.45253 GPRESSAVG: 3264400 -58.5496 -33.0752 2.17779 -28.6201 10.6997 -39.8319 2.47439 -40.5254 2.87988 TIMING: 3264400 CPU: 10316.2, 0.00325434/step Wall: 10316.2, 0.00325434/step, 1.56895 hours remaining, 238.347656 MB of memory in use. ENERGY: 3264400 3936.8727 20439.1760 14462.0014 257.2697 -203626.3942 2971.4609 0.0000 0.0000 52000.1409 -109559.4726 298.8455 -161559.6135 -109198.1964 299.3854 113.6962 139.1507 763496.1378 -15.1038 -14.9900 PRESSURE: 3264600 243.939 40.9791 427.35 40.9775 353.856 -94.8732 427.351 -94.8734 344.056 GPRESSURE: 3264600 262.843 63.7947 254.556 14.3766 318.776 8.44475 397.108 -165.849 427.771 PRESSAVG: 3264600 39.0006 -51.5769 20.7033 -51.5768 8.27228 -5.66499 20.7033 -5.66506 3.77971 GPRESSAVG: 3264600 38.3845 -49.9938 20.3356 -50.6429 7.60522 -4.62525 19.981 -5.14645 4.58722 TIMING: 3264600 CPU: 10316.8, 0.00318219/step Wall: 10316.8, 0.00318219/step, 1.53399 hours remaining, 238.550781 MB of memory in use. ENERGY: 3264600 3945.3527 20695.1139 14476.1509 260.9321 -203905.2368 3033.7348 0.0000 0.0000 51960.2444 -109533.7080 298.6162 -161493.9524 -109179.2794 299.0057 313.9503 336.4635 761021.1992 17.0175 16.8590 PRESSURE: 3264800 -53.8358 34.8827 -110.106 34.8831 167.192 -237.106 -110.106 -237.106 -9.85424 GPRESSURE: 3264800 -121.518 41.6381 -172.277 162.215 296.339 -180.585 -23.4247 -287.911 8.61213 PRESSAVG: 3264800 17.875 21.5667 -30.3069 21.5667 -45.3027 -17.7241 -30.3069 -17.724 -1.62383 GPRESSAVG: 3264800 18.1397 22.2124 -31.3677 20.3275 -44.1638 -18.1212 -27.511 -19.6857 -2.59912 TIMING: 3264800 CPU: 10317.5, 0.00316765/step Wall: 10317.5, 0.00316765/step, 1.52681 hours remaining, 238.550781 MB of memory in use. ENERGY: 3264800 3999.9960 20611.0821 14456.0245 247.7326 -203671.9935 2803.8367 0.0000 0.0000 52063.0263 -109490.2953 299.2069 -161553.3217 -109139.0715 299.1485 34.5007 61.1443 761511.9509 -9.6838 -9.5411 PRESSURE: 3265000 245.228 -187.062 -220.255 -187.062 77.9867 -242.506 -220.255 -242.504 93.813 GPRESSURE: 3265000 316.255 -130.291 -205.438 -134.858 9.97261 -193.264 -103.116 -198.762 183.999 PRESSAVG: 3265000 22.6616 0.331163 5.62902 0.331245 -32.1202 -15.5072 5.62897 -15.5072 8.93652 GPRESSAVG: 3265000 22.2239 -0.405174 7.10309 1.15323 -31.7933 -16.0684 4.09764 -15.3664 9.12082 TIMING: 3265000 CPU: 10318.1, 0.00317379/step Wall: 10318.1, 0.00317379/step, 1.52959 hours remaining, 238.550781 MB of memory in use. ENERGY: 3265000 3924.1027 20466.5225 14403.4459 241.6356 -203442.0139 2788.8595 0.0000 0.0000 52079.7366 -109537.7112 299.3030 -161617.4478 -109169.2049 299.1118 139.0091 170.0758 760837.6856 -0.1740 -0.1495 PRESSURE: 3265200 80.7833 -58.8455 46.8004 -58.8447 -49.637 85.2275 46.8005 85.2281 108.602 GPRESSURE: 3265200 131.97 79.7885 102.279 -94.2938 -11.4857 72.2667 -82.1182 219.218 103.903 PRESSAVG: 3265200 -8.44327 -33.9524 19.4949 -33.9524 42.3915 -8.97382 19.4948 -8.97392 3.35872 GPRESSAVG: 3265200 -7.63747 -31.4053 19.6593 -36.9423 41.3321 -7.70639 19.8893 -6.77156 3.58313 TIMING: 3265200 CPU: 10318.7, 0.00317239/step Wall: 10318.7, 0.00317239/step, 1.52874 hours remaining, 238.550781 MB of memory in use. ENERGY: 3265200 4025.8594 20416.0085 14509.3008 239.2206 -203858.2598 2888.0752 0.0000 0.0000 52141.5763 -109638.2188 299.6584 -161779.7951 -109277.6200 298.9158 46.5828 74.7961 761321.2748 12.4356 12.4259 PRESSURE: 3265400 -198.364 59.4415 167.147 59.4411 -307.325 -72.254 167.148 -72.2532 -418.961 GPRESSURE: 3265400 -142.592 74.8506 118.064 -54.3682 -278.199 -40.8285 -0.755253 -67.682 -408.812 PRESSAVG: 3265400 35.8172 -23.7954 -9.39198 -23.7955 -19.9655 49.4772 -9.392 49.4772 -6.52458 GPRESSAVG: 3265400 35.2639 -24.5037 -8.14624 -24.1455 -19.4704 46.6998 -10.1046 50.1974 -7.24193 TIMING: 3265400 CPU: 10319.4, 0.00317666/step Wall: 10319.4, 0.00317666/step, 1.53062 hours remaining, 238.550781 MB of memory in use. ENERGY: 3265400 3975.0482 20468.3550 14463.0376 252.8835 -203507.7344 2577.2222 0.0000 0.0000 52228.4452 -109542.7428 300.1576 -161771.1880 -109179.7023 299.3660 -308.2164 -276.5345 762407.3386 3.1091 2.8505 PRESSURE: 3265600 -19.8892 121.161 -10.8488 121.163 -89.0753 -1.21154 -10.8494 -1.21153 -29.5277 GPRESSURE: 3265600 97.7471 -139.389 19.5 54.7334 -160.461 -94.861 -44.385 -59.8547 7.739 PRESSAVG: 3265600 51.4089 11.7705 8.42651 11.7705 -65.7 27.3778 8.42656 27.3778 -14.1941 GPRESSAVG: 3265600 50.3631 9.10202 6.85745 14.0298 -65.4512 28.5779 8.63512 23.6534 -14.1003 TIMING: 3265600 CPU: 10320, 0.00320536/step Wall: 10320, 0.00320536/step, 1.54427 hours remaining, 238.550781 MB of memory in use. ENERGY: 3265600 4053.6872 20452.5754 14462.4018 248.9788 -203200.3891 2365.1327 0.0000 0.0000 52127.8803 -109489.7329 299.5796 -161617.6132 -109132.1560 299.2521 -46.1641 -18.3250 761152.0237 -9.4951 -9.7295 PRESSURE: 3265800 334.21 -23.6248 -51.4679 -23.6251 -339.763 114.58 -51.4679 114.582 -20.4834 GPRESSURE: 3265800 353.877 16.2833 -39.4483 -30.923 -296.081 -2.19421 -104.06 134.719 12.7846 PRESSAVG: 3265800 104.707 -21.7706 45.803 -21.7706 -85.3931 27.1804 45.803 27.1804 -18.9543 GPRESSAVG: 3265800 105.374 -20.3991 45.9654 -20.6578 -86.2164 26.7442 45.5592 29.5898 -18.6627 TIMING: 3265800 CPU: 10320.6, 0.00318793/step Wall: 10320.6, 0.00318793/step, 1.5357 hours remaining, 238.550781 MB of memory in use. ENERGY: 3265800 3947.4707 20487.4118 14502.1094 237.9455 -203178.0383 2408.0635 0.0000 0.0000 52260.4617 -109334.5757 300.3416 -161595.0374 -108969.0416 299.9540 -8.6787 23.5271 761153.8995 0.1200 0.1649 PRESSURE: 3266000 -84.778 168.122 180.853 168.122 -110.165 -19.7498 180.853 -19.7499 148.981 GPRESSURE: 3266000 -29.4566 223.683 232.261 113.457 -58.1049 36.3516 67.9403 -153.567 122.744 PRESSAVG: 3266000 0.796452 2.03985 27.8514 2.03988 -22.6146 26.7061 27.8514 26.7061 4.29318 GPRESSAVG: 3266000 0.982363 2.42547 27.5293 1.13312 -22.4755 27.589 28.3602 28.0349 3.82586 TIMING: 3266000 CPU: 10321.3, 0.00317623/step Wall: 10321.3, 0.00317623/step, 1.52988 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3266000 4045.2233 20206.8560 14438.4565 244.6755 -202884.6997 2438.9630 0.0000 0.0000 52021.6009 -109488.9244 298.9689 -161510.5254 -109127.2106 299.3451 -15.3206 11.7274 762858.0638 -5.8417 -5.8891 PRESSURE: 3266200 -7.03862 -66.3014 16.3133 -66.3008 -281.4 178.446 16.3129 178.447 -199.663 GPRESSURE: 3266200 12.3589 -47.3656 16.844 -113.47 -225.588 188.198 111.047 130.599 -199.354 PRESSAVG: 3266200 24.8643 43.8758 25.0261 43.8758 -56.1841 11.3377 25.0261 11.3377 -16.929 GPRESSAVG: 3266200 24.8154 41.3175 24.1241 45.4978 -56.8967 12.397 27.3095 8.2537 -16.2384 TIMING: 3266200 CPU: 10321.9, 0.00318448/step Wall: 10321.9, 0.00318448/step, 1.53368 hours remaining, 238.550781 MB of memory in use. ENERGY: 3266200 3936.4571 20432.1625 14432.2199 246.6796 -203275.2516 2618.0226 0.0000 0.0000 51965.8696 -109643.8403 298.6486 -161609.7099 -109284.1917 298.6801 -162.7005 -137.5278 762116.7571 -16.0829 -16.1066 PRESSURE: 3266400 86.6118 78.7494 20.4426 78.7496 78.8603 33.9214 20.4432 33.922 -50.7581 GPRESSURE: 3266400 109.073 38.4287 11.9727 127.919 120.514 83.8329 -54.0169 -26.4097 -13.4164 PRESSAVG: 3266400 49.5963 -17.9376 51.492 -17.9376 -88.0336 31.9281 51.4919 31.9281 22.3385 GPRESSAVG: 3266400 49.464 -16.511 52.3711 -17.9372 -86.0934 30.3057 47.8545 35.3491 21.4848 TIMING: 3266400 CPU: 10322.6, 0.00317932/step Wall: 10322.6, 0.00317932/step, 1.53102 hours remaining, 238.550781 MB of memory in use. ENERGY: 3266400 3990.2516 20420.1765 14346.7283 234.8456 -203138.1399 2707.4548 0.0000 0.0000 51694.8370 -109743.8461 297.0909 -161438.6831 -109383.5195 298.1485 38.2380 72.0570 760117.1387 -5.3662 -5.0482 PRESSURE: 3266600 -225.814 146.366 19.0404 146.366 27.919 -76.9573 19.0407 -76.957 -12.3087 GPRESSURE: 3266600 -208.487 251.202 -29.6229 -24.2961 28.955 -92.8093 31.6547 -68.1067 22.8975 PRESSAVG: 3266600 85.3701 -20.902 20.672 -20.902 -33.4441 12.534 20.6721 12.5341 7.23508 GPRESSAVG: 3266600 85.4064 -21.0041 20.3245 -21.3379 -35.0126 12.1454 23.6834 10.3666 8.20172 TIMING: 3266600 CPU: 10323.2, 0.00318051/step Wall: 10323.2, 0.0031805/step, 1.53141 hours remaining, 238.550781 MB of memory in use. ENERGY: 3266600 4044.7982 20383.4174 14479.5856 257.6438 -203447.1687 2627.3213 0.0000 0.0000 51937.7678 -109716.6346 298.4871 -161654.4024 -109357.2303 298.4109 -70.0680 -52.2114 761374.8691 19.7204 19.5318 PRESSURE: 3266800 -368.12 22.7355 112.144 22.7355 -51.2669 -309.921 112.144 -309.92 -25.2885 GPRESSURE: 3266800 -315.265 14.6649 115.945 80.0347 -89.2835 -302.668 58.8404 -274.839 50.7188 PRESSAVG: 3266800 62.4113 -36.6362 -14.3067 -36.6362 -51.4567 -22.2798 -14.3067 -22.2798 -8.45866 GPRESSAVG: 3266800 61.7502 -37.8922 -14.2953 -36.7463 -50.7559 -21.2676 -14.1165 -18.6612 -8.04587 TIMING: 3266800 CPU: 10323.8, 0.00314406/step Wall: 10323.8, 0.00314406/step, 1.51369 hours remaining, 238.550781 MB of memory in use. ENERGY: 3266800 3929.7084 20596.8677 14487.4985 264.3918 -203211.4147 2426.2328 0.0000 0.0000 51821.3503 -109685.3653 297.8180 -161506.7156 -109328.3961 297.8124 -148.2250 -117.9431 763414.8620 0.8320 0.9828 PRESSURE: 3267000 237.957 40.8416 -203.942 40.8412 35.3308 -78.7991 -203.942 -78.7996 4.57811 GPRESSURE: 3267000 262.121 -36.2634 -199.577 -27.2067 16.7796 -80.9855 -65.4835 80.5503 56.3487 PRESSAVG: 3267000 53.2463 -17.5214 34.8159 -17.5215 -11.5059 -18.8336 34.8159 -18.8336 -2.67366 GPRESSAVG: 3267000 53.7902 -16.0601 34.4612 -16.9364 -11.6474 -20.1401 33.8366 -21.358 -3.23234 TIMING: 3267000 CPU: 10324.5, 0.0031438/step Wall: 10324.5, 0.0031438/step, 1.51339 hours remaining, 238.550781 MB of memory in use. ENERGY: 3267000 4004.9129 20278.7207 14386.9269 264.2221 -203494.4253 2900.6201 0.0000 0.0000 52022.3847 -109636.6379 298.9734 -161659.0226 -109274.3773 298.5550 92.6221 111.7496 762211.6874 13.0222 12.9702 PRESSURE: 3267200 -498.543 -219.601 -56.0816 -219.601 -299.163 55.1307 -56.0821 55.1312 -486.519 GPRESSURE: 3267200 -412.064 -224.363 62.3917 -126.545 -292.224 -20.4113 -25.6241 4.05017 -512.03 PRESSAVG: 3267200 95.3653 -34.1472 5.62738 -34.1472 -69.4316 59.4596 5.62742 59.4597 -11.9254 GPRESSAVG: 3267200 96.9097 -35.1458 5.44397 -34.3515 -70.1745 59.7969 5.00916 59.0192 -12.6453 TIMING: 3267200 CPU: 10325.1, 0.00314971/step Wall: 10325.1, 0.00314971/step, 1.51606 hours remaining, 238.550781 MB of memory in use. ENERGY: 3267200 3962.4862 20539.2295 14440.5794 238.8662 -203153.8286 2260.7657 0.0000 0.0000 51850.0355 -109861.8663 297.9829 -161711.9017 -109506.4690 298.7238 -428.0750 -405.4396 763543.6473 4.6695 4.6966 PRESSURE: 3267400 313.789 184.691 187.466 184.691 -286.282 -170.294 187.467 -170.294 142.633 GPRESSURE: 3267400 255.038 144.367 130.967 188.232 -199.762 -130.714 205.857 -109.624 206.492 PRESSAVG: 3267400 80.0525 8.77404 -13.8461 8.77408 -86.5941 -6.56176 -13.846 -6.56172 -11.5732 GPRESSAVG: 3267400 78.7139 8.56324 -14.016 8.87864 -86.1711 -7.15186 -12.2417 -5.47177 -10.7734 TIMING: 3267400 CPU: 10325.7, 0.00316849/step Wall: 10325.7, 0.00316849/step, 1.52492 hours remaining, 238.550781 MB of memory in use. ENERGY: 3267400 3905.8118 20355.9249 14442.9555 238.7608 -203434.9968 2778.5467 0.0000 0.0000 51751.3136 -109961.6835 297.4155 -161712.9971 -109605.4524 297.8410 56.7132 87.2558 763443.9682 -6.0383 -6.0769 PRESSURE: 3267600 231.795 86.7061 69.8041 86.705 -509.062 90.6137 69.8036 90.6139 11.8018 GPRESSURE: 3267600 202.396 47.8554 85.6806 75.4217 -331.886 23.6659 39.0688 173.02 -53.6802 PRESSAVG: 3267600 35.1765 23.0612 52.9692 23.0611 -96.789 8.64196 52.9692 8.64194 0.0604608 GPRESSAVG: 3267600 34.7918 23.7918 55.083 21.6589 -96.0273 8.17502 49.9143 9.81285 -0.553585 TIMING: 3267600 CPU: 10326.3, 0.00314863/step Wall: 10326.3, 0.00314864/step, 1.51519 hours remaining, 238.550781 MB of memory in use. ENERGY: 3267600 3902.0755 20419.7979 14454.8751 224.4661 -203641.0146 2877.6710 0.0000 0.0000 51895.8780 -109866.2511 298.2463 -161762.1291 -109503.2839 297.8124 -88.4882 -61.0565 761658.3405 -20.5173 -20.5964 PRESSURE: 3267800 226.48 238.708 -136.525 238.708 -27.5272 191.854 -136.525 191.854 -200.886 GPRESSURE: 3267800 246.235 280.919 -102.707 219.497 41.316 177.97 -61.8259 3.93188 -213.271 PRESSAVG: 3267800 105.576 26.4259 12.1708 26.4259 -70.8043 23.1542 12.1708 23.1543 0.0944807 GPRESSAVG: 3267800 106.257 25.9798 9.66275 28.0061 -71.5035 23.9566 15.9139 21.7964 0.000582663 TIMING: 3267800 CPU: 10327, 0.00313601/step Wall: 10327, 0.00313601/step, 1.50894 hours remaining, 238.550781 MB of memory in use. ENERGY: 3267800 3967.8532 20480.4778 14390.3422 251.5254 -203396.4295 2449.5188 0.0000 0.0000 51867.7355 -109988.9767 298.0846 -161856.7122 -109629.5470 298.3285 -0.6444 24.7600 761957.4758 11.6221 11.5848 PRESSURE: 3268000 -37.5287 -71.9345 -191.607 -71.9342 -178.6 -63.5816 -191.608 -63.5812 -57.5749 GPRESSURE: 3268000 -59.7987 53.3047 -142.589 -123.068 -129.327 71.9711 -99.2745 -71.0096 6.06291 PRESSAVG: 3268000 36.6123 10.854 -15.7631 10.8539 -39.8612 12.1804 -15.7632 12.1804 -16.3943 GPRESSAVG: 3268000 35.948 13.3136 -15.4118 10.6823 -39.7687 13.4231 -17.6364 9.47564 -15.684 TIMING: 3268000 CPU: 10327.6, 0.00315864/step Wall: 10327.6, 0.00315863/step, 1.51965 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3268000 4044.0779 20383.9507 14439.9024 259.1180 -203196.2784 2474.2528 0.0000 0.0000 51829.5362 -109765.4405 297.8651 -161594.9767 -109421.0248 298.0258 -91.2346 -61.0209 763001.9540 -6.5477 -6.5016 PRESSURE: 3268200 2.48744 90.7957 -107.498 90.7962 17.7647 -169.924 -107.499 -169.925 200.623 GPRESSURE: 3268200 39.9271 51.4363 -146.305 63.8797 9.15803 -168.468 -88.4147 -204.293 271.076 PRESSAVG: 3268200 -19.8499 7.86031 8.85226 7.86032 12.0761 -23.8752 8.85226 -23.8751 0.318312 GPRESSAVG: 3268200 -19.9047 6.27505 10.0403 7.79459 12.5957 -25.8033 8.42972 -20.2188 -0.512639 TIMING: 3268200 CPU: 10328.2, 0.00318809/step Wall: 10328.2, 0.00318809/step, 1.53365 hours remaining, 238.550781 MB of memory in use. ENERGY: 3268200 3957.6877 20519.1340 14489.4558 259.9546 -203851.2317 2942.6684 0.0000 0.0000 51851.8756 -109830.4557 297.9934 -161682.3313 -109468.3326 297.9720 73.6249 106.7205 761658.0009 -2.4852 -2.6072 LDB: ============= START OF LOAD BALANCING ============== 10340.6 LDB: ============== END OF LOAD BALANCING =============== 10340.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10340.6 LDB: ============= START OF LOAD BALANCING ============== 10341 LDB: Largest compute 7033 load 0.031911 is 16.3% of average load 0.196109 LDB: Average compute 0.004385 is 2.2% of average load 0.196109 LDB: TIME 10341 LOAD: AVG 0.196109 MAX 0.216232 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 10341 LOAD: AVG 0.196109 MAX 0.216232 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 10341 LOAD: AVG 0.196109 MAX 0.216232 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 10341 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10341 PRESSURE: 3268400 55.1622 28.8466 167.723 28.8471 -46.0637 50.9173 167.724 50.9181 -204.063 GPRESSURE: 3268400 55.4051 8.1212 185.535 -46.3046 -26.7744 76.506 127.961 88.3242 -142.133 PRESSAVG: 3268400 -24.6659 -25.9639 -4.85732 -25.9639 28.8412 20.6867 -4.85734 20.6867 -22.3891 GPRESSAVG: 3268400 -25.5292 -26.0196 -5.72291 -27.638 28.3863 22.206 -4.34491 19.1258 -21.3706 TIMING: 3268400 CPU: 10328.9, 0.00323443/step Wall: 10328.9, 0.00323443/step, 1.55576 hours remaining, 238.671875 MB of memory in use. ENERGY: 3268400 3992.9888 20492.3534 14434.9040 261.2826 -203535.0964 2630.3335 0.0000 0.0000 51827.0119 -109896.2221 297.8505 -161723.2341 -109538.7058 298.3432 -64.9883 -37.8341 762914.9313 -6.0713 -6.1712 PRESSURE: 3268600 -340.146 48.7528 7.35953 48.7528 -427.154 73.6724 7.35972 73.6715 131.526 GPRESSURE: 3268600 -241.806 -39.2208 -37.7658 51.2278 -459.636 53.5962 -32.9998 7.71355 168.196 PRESSAVG: 3268600 38.4469 -31.1377 36.6553 -31.1377 -68.8518 35.3362 36.6553 35.3362 -8.03582 GPRESSAVG: 3268600 38.4232 -29.7785 36.2928 -29.5265 -69.1769 34.7152 34.5231 35.2412 -7.55669 TIMING: 3268600 CPU: 10329.5, 0.00317191/step Wall: 10329.5, 0.00317191/step, 1.52551 hours remaining, 238.671875 MB of memory in use. ENERGY: 3268600 3996.7008 20452.9909 14409.1796 247.4365 -203248.3891 2434.7396 0.0000 0.0000 52032.1965 -109675.1451 299.0297 -161707.3416 -109309.5454 298.6273 -211.9245 -177.7487 762909.7403 -12.8136 -12.7701 PRESSURE: 3268800 50.3443 -25.0567 41.8254 -25.0563 -314.933 -66.2763 41.8254 -66.2762 10.4896 GPRESSURE: 3268800 73.4209 95.1406 -30.4523 -90.1159 -284.145 -44.8575 106.634 -222.436 21.5723 PRESSAVG: 3268800 81.421 -12.1108 33.523 -12.1108 -49.9207 -4.42964 33.523 -4.42961 5.65671 GPRESSAVG: 3268800 82.3275 -12.5237 33.8558 -13.0181 -49.2037 -4.49343 35.2562 -4.53504 4.94562 TIMING: 3268800 CPU: 10330.2, 0.003168/step Wall: 10330.2, 0.003168/step, 1.52345 hours remaining, 238.671875 MB of memory in use. ENERGY: 3268800 3939.4407 20617.1587 14362.7369 240.8174 -203304.5231 2599.4063 0.0000 0.0000 51825.6058 -109719.3573 297.8425 -161544.9630 -109357.7449 298.7608 -84.6998 -63.0505 763130.6239 12.3856 12.6898 PRESSURE: 3269000 -200.651 163.118 119.516 163.117 -333.036 68.3917 119.514 68.3921 -67.1044 GPRESSURE: 3269000 -215.637 79.7372 155.394 103.206 -267.292 27.6645 271.012 206.792 -22.6241 PRESSAVG: 3269000 10.4048 2.23949 33.5958 2.23945 -8.53777 11.0235 33.5958 11.0236 -1.27932 GPRESSAVG: 3269000 10.5668 2.12821 35.2654 1.47135 -8.14797 12.0118 33.2052 9.67297 -1.90055 TIMING: 3269000 CPU: 10330.8, 0.00319257/step Wall: 10330.8, 0.00319257/step, 1.53509 hours remaining, 238.671875 MB of memory in use. ENERGY: 3269000 4038.6367 20411.2430 14361.0103 250.9447 -203635.9043 2541.0020 0.0000 0.0000 52210.8692 -109822.1984 300.0566 -162033.0676 -109463.1922 298.7806 -200.2637 -168.5178 761834.9231 0.1959 0.1728 PRESSURE: 3269200 29.865 -191.375 268.013 -191.375 -195.235 78.2829 268.012 78.2828 -170.645 GPRESSURE: 3269200 20.0438 -206.406 238.363 -77.8885 -110.66 32.3727 178.116 81.925 -175.287 PRESSAVG: 3269200 86.2195 33.1589 21.8683 33.1589 -101.863 32.6198 21.8684 32.6197 -1.63588 GPRESSAVG: 3269200 86.461 33.5157 20.0331 34.4912 -102.144 31.497 22.7005 34.7651 -1.30993 TIMING: 3269200 CPU: 10331.4, 0.00318901/step Wall: 10331.4, 0.00318901/step, 1.5332 hours remaining, 238.671875 MB of memory in use. ENERGY: 3269200 3996.6851 20522.2931 14361.4699 249.9565 -203426.6022 2676.9164 0.0000 0.0000 51996.8921 -109622.3890 298.8269 -161619.2811 -109259.2853 298.9679 -112.0051 -88.6344 761624.6644 -5.7598 -5.6642 PRESSURE: 3269400 373.912 -34.0961 301.475 -34.0953 -39.6379 -57.9684 301.475 -57.9691 81.1455 GPRESSURE: 3269400 438.068 -57.1424 376.467 3.5876 11.5009 -85.1927 211.009 98.1987 58.3945 PRESSAVG: 3269400 37.4105 -4.01893 39.312 -4.01901 -47.0047 -53.4503 39.312 -53.4503 17.3116 GPRESSAVG: 3269400 37.5697 -7.55397 40.3158 -2.74626 -47.8385 -52.5068 38.6831 -54.8119 17.931 TIMING: 3269400 CPU: 10332.1, 0.00318679/step Wall: 10332.1, 0.00318679/step, 1.53196 hours remaining, 238.671875 MB of memory in use. ENERGY: 3269400 3978.9889 20685.6291 14387.2631 237.9690 -203354.0042 2573.6847 0.0000 0.0000 52060.8113 -109429.6581 299.1942 -161490.4694 -109064.9783 299.2687 138.4732 169.3211 761002.7284 2.5725 2.5541 PRESSURE: 3269600 -40.1175 115.817 -237.799 115.818 -266.752 -70.5069 -237.799 -70.5068 -512.771 GPRESSURE: 3269600 21.749 71.3501 -142.512 165.142 -251.71 -116.252 -184.19 -35.8277 -510.738 PRESSAVG: 3269600 132.33 6.0987 1.229 6.09876 -128.823 34.6816 1.22901 34.6815 14.8649 GPRESSAVG: 3269600 131.847 9.43031 0.416724 2.8844 -128.142 34.4119 1.86803 35.2992 14.7495 TIMING: 3269600 CPU: 10332.7, 0.00317717/step Wall: 10332.7, 0.00317717/step, 1.52716 hours remaining, 238.671875 MB of memory in use. ENERGY: 3269600 4078.2058 20590.9724 14506.7122 249.6097 -203227.4582 2581.2096 0.0000 0.0000 52049.7703 -109170.9782 299.1307 -161220.7486 -108800.5549 300.0224 -273.2135 -246.8996 761257.2818 6.1237 6.1518 PRESSURE: 3269800 -146.763 -31.9865 13.6541 -31.9863 -177.333 218.28 13.6548 218.281 5.62941 GPRESSURE: 3269800 -107.639 -96.2336 8.22492 2.26457 -206.712 228.131 86.2536 191.576 88.1294 PRESSAVG: 3269800 110.545 50.0309 -15.6692 50.0309 -80.7006 6.54152 -15.6692 6.54156 8.51718 GPRESSAVG: 3269800 110.921 50.3097 -14.2136 52.429 -81.7571 5.96429 -17.2658 5.69106 8.52584 TIMING: 3269800 CPU: 10333.3, 0.00315659/step Wall: 10333.3, 0.0031566/step, 1.51709 hours remaining, 238.671875 MB of memory in use. ENERGY: 3269800 4013.2166 20581.4973 14525.8523 257.5097 -203404.9869 2685.5410 0.0000 0.0000 52211.9565 -109129.4135 300.0628 -161341.3700 -108774.3131 300.3545 -106.1555 -75.4071 760500.6374 12.7873 12.5633 PRESSURE: 3270000 102.556 134.366 76.0002 134.365 -241.331 -108.016 75.9993 -108.016 -318.772 GPRESSURE: 3270000 49.6327 186.741 106.31 173.554 -155.538 -220.466 92.6379 -51.3448 -263.964 PRESSAVG: 3270000 42.0971 17.7534 0.726116 17.7534 -54.9916 35.938 0.726096 35.938 -20.164 GPRESSAVG: 3270000 42.4342 15.9463 -0.952722 16.7476 -55.5158 37.026 1.74783 35.8054 -19.5322 TIMING: 3270000 CPU: 10334, 0.00320115/step Wall: 10334, 0.00320115/step, 1.53833 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3270000 3949.2809 20422.8602 14475.6647 248.7641 -203360.7291 2712.8037 0.0000 0.0000 52350.7033 -109200.6523 300.8602 -161551.3555 -108831.7751 300.5832 -152.5159 -123.2897 761998.0494 -11.0195 -10.8713 PRESSURE: 3270200 14.7532 50.9626 -4.5188 50.9633 -155.851 68.785 -4.51828 68.7839 -471.487 GPRESSURE: 3270200 99.3812 36.5731 -28.5119 5.19279 -192.851 45.9032 59.7146 108.089 -443.469 PRESSAVG: 3270200 108.925 26.5092 14.0681 26.5093 -83.7268 21.6212 14.0681 21.6212 11.8658 GPRESSAVG: 3270200 108.687 26.7114 14.2758 27.8708 -83.2874 20.8942 14.7761 22.0651 11.1506 TIMING: 3270200 CPU: 10334.6, 0.00316121/step Wall: 10334.6, 0.00316121/step, 1.51896 hours remaining, 238.671875 MB of memory in use. ENERGY: 3270200 4015.2531 20570.0853 14373.2775 245.4689 -203318.0952 2704.5590 0.0000 0.0000 52261.5273 -109147.9241 300.3477 -161409.4515 -108793.0260 300.3363 -204.1951 -178.9795 761828.6504 12.3548 12.1833 PRESSURE: 3270400 316.054 -31.5456 -58.8016 -31.5451 111.964 290.202 -58.8016 290.202 154.208 GPRESSURE: 3270400 331.788 -24.3631 -158.272 31.3322 152.095 253.832 -102.613 331.566 180.113 PRESSAVG: 3270400 83.3464 14.2279 -9.21142 14.2279 -47.882 27.294 -9.2114 27.294 -12.4755 GPRESSAVG: 3270400 81.544 18.9281 -8.95591 11.5843 -46.7129 28.152 -10.5006 27.5108 -12.0075 TIMING: 3270400 CPU: 10335.2, 0.0031824/step Wall: 10335.2, 0.0031824/step, 1.52896 hours remaining, 238.671875 MB of memory in use. ENERGY: 3270400 3922.1983 20482.6197 14451.1895 245.7601 -203604.3256 2838.2871 0.0000 0.0000 52260.0282 -109404.2427 300.3391 -161664.2709 -109045.2008 300.2063 194.0752 221.3320 760553.8903 7.6630 7.6079 PRESSURE: 3270600 171.507 -128.299 -74.6545 -128.299 -203.308 -170.204 -74.6551 -170.205 -183.095 GPRESSURE: 3270600 181.473 -123.612 -57.5344 -161.34 -99.482 -232.741 -35.7717 -259.572 -208.409 PRESSAVG: 3270600 18.2175 19.0349 -52.1753 19.0349 -17.4509 -11.561 -52.1753 -11.561 -9.8319 GPRESSAVG: 3270600 19.2315 15.4015 -53.3075 20.7646 -17.812 -12.3027 -50.8826 -11.5628 -10.158 TIMING: 3270600 CPU: 10335.9, 0.00316348/step Wall: 10335.9, 0.00316348/step, 1.5197 hours remaining, 238.671875 MB of memory in use. ENERGY: 3270600 4008.1107 20601.1082 14417.5164 249.2077 -203569.4969 2802.0885 0.0000 0.0000 52268.8616 -109222.6037 300.3899 -161491.4654 -108841.3978 299.3914 -71.6323 -42.1394 760667.5197 -3.0218 -2.9128 PRESSURE: 3270800 0.883074 -155.971 -43.7805 -155.969 -62.0859 53.4967 -43.7808 53.4978 289.806 GPRESSURE: 3270800 44.6801 -81.1366 -14.5227 -220.361 -122.336 110.18 37.3081 62.202 368.449 PRESSAVG: 3270800 69.2055 -17.326 24.1976 -17.326 -53.8604 66.2205 24.1976 66.2204 15.6146 GPRESSAVG: 3270800 70.3365 -15.0669 25.2688 -17.9667 -54.6719 67.2452 23.4496 67.019 15.6928 TIMING: 3270800 CPU: 10336.5, 0.00314033/step Wall: 10336.5, 0.00314033/step, 1.50841 hours remaining, 238.671875 MB of memory in use. ENERGY: 3270800 3960.5599 20615.0138 14430.2208 250.7505 -202926.2496 2496.0251 0.0000 0.0000 51941.0689 -109232.6105 298.5060 -161173.6794 -108871.3721 299.6637 76.2009 96.9312 761200.8746 10.3199 10.4525 PRESSURE: 3271000 -234.036 167.27 69.8596 167.27 -335.031 193.345 69.8599 193.344 -222.081 GPRESSURE: 3271000 -223.053 190.682 127.34 184.47 -256.078 170.274 25.102 209.445 -216.172 PRESSAVG: 3271000 32.4141 -41.72 -3.79202 -41.72 -60.9254 68.3015 -3.792 68.3014 -10.0069 GPRESSAVG: 3271000 30.747 -44.6045 -4.17664 -39.7813 -59.418 68.2106 -2.16541 65.1942 -10.2025 TIMING: 3271000 CPU: 10337.1, 0.00313854/step Wall: 10337.1, 0.00313854/step, 1.50737 hours remaining, 238.671875 MB of memory in use. ENERGY: 3271000 3985.1364 20599.9277 14406.8219 249.7559 -202624.9415 2190.3104 0.0000 0.0000 51976.9540 -109216.0352 298.7123 -161192.9892 -108864.0262 299.8530 -263.7160 -231.7675 761793.7623 -12.8394 -12.9578 PRESSURE: 3271200 11.791 -136.857 190.788 -136.858 406.125 -51.4644 190.788 -51.4644 5.44664 GPRESSURE: 3271200 17.6497 -94.8359 172.882 -120.496 470.846 -50.0628 218.729 -74.6857 22.1199 PRESSAVG: 3271200 -3.61471 12.0774 26.1013 12.0774 21.2009 29.9102 26.1013 29.9102 6.38883 GPRESSAVG: 3271200 -2.94465 14.1801 26.5457 12.3303 20.6624 31.9495 25.4068 30.7654 6.42448 TIMING: 3271200 CPU: 10337.8, 0.00316402/step Wall: 10337.8, 0.00316402/step, 1.51943 hours remaining, 238.671875 MB of memory in use. ENERGY: 3271200 3943.9004 20518.8661 14325.0480 239.7408 -203273.2875 2827.4710 0.0000 0.0000 52212.3136 -109205.9476 300.0649 -161418.2612 -108836.1837 299.8086 141.1208 170.2051 763487.0543 7.9917 8.0474 PRESSURE: 3271400 55.3103 29.4257 -37.5695 29.426 -76.8672 39.1605 -37.5693 39.1607 482.062 GPRESSURE: 3271400 49.4645 -28.3769 -187.327 -6.92111 -29.5015 34.6812 -76.0221 161.992 504.404 PRESSAVG: 3271400 47.5449 -20.7071 33.9872 -20.7071 -41.1263 -11.3131 33.9872 -11.3131 -5.65827 GPRESSAVG: 3271400 47.2477 -21.4579 34.8707 -21.3518 -41.3693 -14.9183 32.9053 -9.16706 -5.00192 TIMING: 3271400 CPU: 10338.4, 0.00315674/step Wall: 10338.4, 0.00315674/step, 1.51576 hours remaining, 238.671875 MB of memory in use. ENERGY: 3271400 3953.7006 20582.5168 14469.1177 245.7535 -203026.7260 2538.5521 0.0000 0.0000 52024.7703 -109212.3150 298.9871 -161237.0853 -108843.3572 299.2482 153.5017 174.7890 761707.4787 0.2535 0.2922 PRESSURE: 3271600 -32.2061 203.079 123.078 203.078 -309.134 -60.0489 123.078 -60.0485 -215.787 GPRESSURE: 3271600 -70.6973 189.593 82.9352 189.285 -257.194 -57.7119 130.363 57.5367 -139.139 PRESSAVG: 3271600 40.2276 8.40728 46.5131 8.4073 -34.01 33.0635 46.5131 33.0634 -1.3621 GPRESSAVG: 3271600 40.6489 8.59435 45.7241 6.68113 -33.957 33.3071 46.9711 33.7247 -1.49474 TIMING: 3271600 CPU: 10339, 0.00318392/step Wall: 10339, 0.00318392/step, 1.52863 hours remaining, 238.671875 MB of memory in use. ENERGY: 3271600 4018.0526 20417.5430 14448.2886 250.6577 -203159.9266 2478.2265 0.0000 0.0000 52442.3941 -109104.7641 301.3872 -161547.1582 -108735.3428 300.0683 -185.7092 -155.6767 763423.9782 1.6185 1.7324 PRESSURE: 3271800 -191.748 -25.2393 -165.096 -25.2402 82.4523 -287.478 -165.097 -287.48 109.426 GPRESSURE: 3271800 -128.066 -95.4737 -140.389 -39.8653 122.55 -273.114 -79.0679 -215.527 98.5514 PRESSAVG: 3271800 10.4503 -3.92718 36.2627 -3.92716 -35.8467 -34.925 36.2627 -34.925 -10.4223 GPRESSAVG: 3271800 10.5683 -2.37032 35.7891 -4.85254 -37.4361 -33.917 35.5768 -35.7734 -9.12686 TIMING: 3271800 CPU: 10339.7, 0.00314247/step Wall: 10339.7, 0.00314247/step, 1.50856 hours remaining, 238.671875 MB of memory in use. ENERGY: 3271800 4049.9506 20619.3762 14466.3708 239.0407 -203265.1239 2631.4210 0.0000 0.0000 52135.2492 -109123.7153 299.6220 -161258.9645 -108766.7058 300.0298 0.0434 31.0116 760929.4008 -11.9396 -11.9982 PRESSURE: 3272000 -386.184 -188.587 194.443 -188.586 -345.756 -59.6935 194.443 -59.6934 -397.137 GPRESSURE: 3272000 -337.416 -128.648 175.977 -278.738 -235.235 -37.6642 109.457 43.4824 -496.078 PRESSAVG: 3272000 64.642 7.30907 -32.3204 7.30913 -32.8208 -32.8234 -32.3204 -32.8234 -8.58826 GPRESSAVG: 3272000 62.0145 8.07813 -31.4223 6.57187 -30.121 -33.2666 -30.4994 -32.6505 -7.99117 TIMING: 3272000 CPU: 10340.3, 0.00313645/step Wall: 10340.3, 0.00313645/step, 1.5055 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3272000 4045.4365 20411.5183 14416.1747 256.9621 -202919.3112 2212.0485 0.0000 0.0000 52486.7198 -109090.4513 301.6419 -161577.1711 -108718.8690 299.9392 -376.3590 -356.2429 762035.7240 7.7443 7.9674 PRESSURE: 3272200 50.6273 122.274 100.125 122.273 -48.3589 227.541 100.125 227.541 -86.7037 GPRESSURE: 3272200 -22.2627 178.804 94.8926 19.3828 94.4735 250.023 89.043 241.915 -102.377 PRESSAVG: 3272200 84.0374 -1.51475 20.2357 -1.51474 -36.4847 -18.9792 20.2357 -18.9791 -15.2871 GPRESSAVG: 3272200 86.4077 -2.72652 20.4668 -1.04572 -37.6106 -18.6967 19.4219 -18.5738 -17.167 TIMING: 3272200 CPU: 10340.9, 0.00315835/step Wall: 10340.9, 0.00315835/step, 1.51583 hours remaining, 238.671875 MB of memory in use. ENERGY: 3272200 3991.1586 20443.7626 14468.9106 230.1565 -203033.4988 2706.0885 0.0000 0.0000 52144.8062 -109048.6158 299.6769 -161193.4221 -108682.0119 299.6388 -28.1451 -10.0555 762380.3449 10.7552 10.5434 LDB: ============= START OF LOAD BALANCING ============== 10353.3 LDB: ============== END OF LOAD BALANCING =============== 10353.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10353.3 LDB: ============= START OF LOAD BALANCING ============== 10353.6 LDB: Largest compute 7033 load 0.032852 is 16.8% of average load 0.196050 LDB: Average compute 0.004386 is 2.2% of average load 0.196050 LDB: TIME 10353.6 LOAD: AVG 0.19605 MAX 0.217731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 10353.6 LOAD: AVG 0.19605 MAX 0.217731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 10353.6 LOAD: AVG 0.19605 MAX 0.217731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 10353.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10353.7 PRESSURE: 3272400 248.626 -131.64 -44.6061 -131.64 34.6564 29.5408 -44.6059 29.5406 202.855 GPRESSURE: 3272400 274.324 -53.8239 9.11942 -108.042 9.22313 39.1451 -19.5141 -22.2262 290.282 PRESSAVG: 3272400 39.9125 -12.4221 8.99317 -12.4221 -31.5863 27.6533 8.99318 27.6534 0.45434 GPRESSAVG: 3272400 39.4355 -10.9136 9.094 -11.4476 -30.606 26.8072 9.52828 28.0646 0.286549 TIMING: 3272400 CPU: 10341.6, 0.00323688/step Wall: 10341.6, 0.00323688/step, 1.55334 hours remaining, 238.875000 MB of memory in use. ENERGY: 3272400 4021.4867 20427.8590 14424.9631 238.0290 -203211.3313 2935.4354 0.0000 0.0000 52079.2195 -109084.3385 299.3000 -161163.5581 -108719.2328 299.5135 162.0458 191.2766 762543.9006 2.9269 3.0387 PRESSURE: 3272600 -156.723 43.8927 -66.0019 43.8921 -290.33 -299.119 -66.0017 -299.119 -147.564 GPRESSURE: 3272600 -156.56 125.436 -90.2691 -37.5485 -237.082 -215.532 -63.8479 -353.158 -118.155 PRESSAVG: 3272600 32.5101 -13.4374 -18.8739 -13.4374 -7.16117 -15.1345 -18.8739 -15.1345 4.58214 GPRESSAVG: 3272600 33.2909 -15.7954 -19.9347 -12.9789 -8.51638 -15.4864 -18.3139 -16.1098 5.5888 TIMING: 3272600 CPU: 10342.2, 0.00315321/step Wall: 10342.2, 0.00315321/step, 1.51301 hours remaining, 238.941406 MB of memory in use. ENERGY: 3272600 4057.8753 20720.9554 14473.7025 250.7656 -203279.6528 2479.6452 0.0000 0.0000 52174.4579 -109122.2508 299.8473 -161296.7088 -108766.9212 300.1005 -198.2056 -170.5989 761771.0272 9.9770 10.1211 PRESSURE: 3272800 92.3817 -97.4964 -116.722 -97.4965 110.088 -59.122 -116.723 -59.1219 -55.5635 GPRESSURE: 3272800 127.346 -184.501 -123.88 -142.188 160.44 -28.9857 -99.4281 22.4067 -62.2552 PRESSAVG: 3272800 -48.6725 -36.983 -6.4854 -36.9831 2.10546 -40.549 -6.48543 -40.5489 -5.7496 GPRESSAVG: 3272800 -49.0351 -36.973 -5.53845 -37.2961 2.43798 -39.016 -7.42323 -40.8275 -5.47277 TIMING: 3272800 CPU: 10342.8, 0.00317595/step Wall: 10342.8, 0.00317596/step, 1.52375 hours remaining, 238.941406 MB of memory in use. ENERGY: 3272800 4039.4609 20619.5485 14437.3308 242.2936 -203323.1223 2600.5155 0.0000 0.0000 52274.6777 -109109.2953 300.4233 -161383.9730 -108743.4132 300.1299 48.9687 75.1769 761604.6961 -17.4389 -17.3566 PRESSURE: 3273000 306.756 -53.4837 -153.711 -53.4839 53.7446 116.588 -153.713 116.588 173.621 GPRESSURE: 3273000 315.463 -97.0969 -175.758 -120.731 63.8977 31.651 -46.6894 -52.5226 212.219 PRESSAVG: 3273000 75.6059 -31.2667 23.8145 -31.2667 -69.0131 -6.64471 23.8145 -6.64462 -0.85516 GPRESSAVG: 3273000 74.4221 -31.9402 23.1575 -30.6427 -68.0174 -7.24794 22.227 -6.9319 -0.424759 TIMING: 3273000 CPU: 10343.5, 0.0031782/step Wall: 10343.5, 0.0031782/step, 1.52465 hours remaining, 238.941406 MB of memory in use. ENERGY: 3273000 4034.6997 20569.3202 14497.2318 248.6049 -203833.9887 3100.9229 0.0000 0.0000 52429.0660 -108954.1434 301.3106 -161383.2093 -108589.6437 300.4227 178.0406 197.1932 761012.0256 1.9125 1.9933 PRESSURE: 3273200 -443.478 -145.759 40.5858 -145.76 -198.861 -4.61719 40.5869 -4.61781 -125.539 GPRESSURE: 3273200 -330.438 -294.012 113.543 -145.185 -247.863 30.0308 -5.042 -74.2899 -107.111 PRESSAVG: 3273200 31.0713 -12.684 6.5825 -12.6841 -24.3391 17.7719 6.58259 17.7718 1.54951 GPRESSAVG: 3273200 32.8713 -12.3729 7.62404 -12.1711 -24.9204 19.4311 7.3741 15.5765 -0.0992138 TIMING: 3273200 CPU: 10344.1, 0.00320405/step Wall: 10344.1, 0.00320405/step, 1.53688 hours remaining, 238.941406 MB of memory in use. ENERGY: 3273200 4020.5273 20652.4444 14436.6040 248.2310 -203134.4641 2423.5988 0.0000 0.0000 52490.4635 -108862.5951 301.6634 -161353.0586 -108499.1117 300.4679 -255.9591 -228.4706 763341.8212 2.7606 2.6172 PRESSURE: 3273400 272.617 -63.1729 64.6012 -63.1732 58.8109 -32.5115 64.6003 -32.5104 -119.131 GPRESSURE: 3273400 260.982 3.97954 31.3028 -170.184 174.775 -96.8672 48.6968 23.2384 -122.937 PRESSAVG: 3273400 22.1288 -41.9436 -5.17189 -41.9436 -14.5533 12.246 -5.17187 12.2461 7.66868 GPRESSAVG: 3273400 20.7352 -43.055 -6.53267 -42.3594 -15.2167 9.68617 -4.64341 15.9989 9.64529 TIMING: 3273400 CPU: 10344.7, 0.00316475/step Wall: 10344.7, 0.00316475/step, 1.51785 hours remaining, 238.941406 MB of memory in use. ENERGY: 3273400 4040.2677 20555.3828 14488.4480 247.2443 -203297.5968 2761.7531 0.0000 0.0000 52207.0549 -108997.4461 300.0347 -161204.5010 -108630.0997 300.7822 70.7657 104.2734 761732.5351 5.0814 5.0546 PRESSURE: 3273600 227.746 -4.18237 70.7423 -4.18229 72.6981 -10.748 70.7423 -10.7493 87.4303 GPRESSURE: 3273600 251.935 66.943 74.3024 119.946 147.801 -34.9302 9.17389 109.932 73.2022 PRESSAVG: 3273600 81.7351 -16.4706 -11.513 -16.4706 -39.8161 -48.6438 -11.513 -48.6438 -5.96277 GPRESSAVG: 3273600 81.7531 -16.3949 -11.2965 -16.3728 -39.1543 -45.5829 -11.2651 -51.2278 -6.69281 TIMING: 3273600 CPU: 10345.4, 0.00312504/step Wall: 10345.4, 0.00312504/step, 1.49863 hours remaining, 238.941406 MB of memory in use. ENERGY: 3273600 3939.8428 20533.1759 14435.2802 253.1608 -202993.9549 2481.0231 0.0000 0.0000 52292.9597 -109058.5124 300.5284 -161351.4721 -108688.4797 300.4308 129.2916 157.6458 760767.6893 11.9854 11.9687 PRESSURE: 3273800 140.394 -282.604 230.696 -282.604 75.6315 -286.754 230.697 -286.754 -262.784 GPRESSURE: 3273800 121.253 -140.806 265.693 -264.438 49.5951 -142.312 172.125 -257.372 -141.048 PRESSAVG: 3273800 38.306 -61.6844 -1.84382 -61.6844 -38.6736 -36.8528 -1.84384 -36.8528 2.99925 GPRESSAVG: 3273800 37.9561 -61.114 -1.39708 -61.5367 -39.28 -36.473 -3.74786 -38.0643 3.49948 TIMING: 3273800 CPU: 10346, 0.00316828/step Wall: 10346, 0.00316828/step, 1.51919 hours remaining, 238.941406 MB of memory in use. ENERGY: 3273800 4034.6383 20606.6686 14428.7108 255.7758 -202811.0788 2277.0109 0.0000 0.0000 52095.3270 -109112.9474 299.3926 -161208.2744 -108759.9381 300.4928 -15.5859 9.9334 760840.6562 0.8772 0.7252 PRESSURE: 3274000 -63.3384 66.3983 -137.34 66.399 -417.027 97.344 -137.34 97.3432 -288.173 GPRESSURE: 3274000 -67.5172 -2.18199 -223.625 179.593 -340.069 15.5164 -116.652 102.324 -281.056 PRESSAVG: 3274000 86.015 -61.6597 32.5519 -61.6597 -67.2825 8.79321 32.5519 8.79324 -10.9896 GPRESSAVG: 3274000 86.2572 -61.5392 34.4073 -62.506 -66.7075 6.66084 32.76 11.5727 -11.6325 TIMING: 3274000 CPU: 10346.6, 0.003131/step Wall: 10346.6, 0.003131/step, 1.50114 hours remaining, 238.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3274000 4086.6162 20538.8814 14405.1417 227.4453 -203370.2186 2547.8740 0.0000 0.0000 52335.7267 -109228.5333 300.7741 -161564.2600 -108876.3984 300.2586 -256.1794 -229.5472 761824.1340 2.5810 2.6391 PRESSURE: 3274200 -160.858 138.82 -13.9466 138.819 -77.6053 127.79 -13.9473 127.79 -70.7889 GPRESSURE: 3274200 -142.683 51.2101 -62.7448 137.785 -57.3994 114.876 -2.03536 164.669 -27.0945 PRESSAVG: 3274200 45.2764 12.44 -9.0349 12.4399 -37.1932 12.4836 -9.03486 12.4836 3.82147 GPRESSAVG: 3274200 45.3152 10.8948 -12.0946 14.6609 -36.8975 11.0609 -6.7595 12.9569 3.57021 TIMING: 3274200 CPU: 10347.3, 0.00312602/step Wall: 10347.3, 0.00312602/step, 1.49858 hours remaining, 238.941406 MB of memory in use. ENERGY: 3274200 4029.5989 20508.7118 14497.8187 254.7303 -203273.8011 2456.5220 0.0000 0.0000 52119.3932 -109407.0262 299.5309 -161526.4194 -109040.7151 299.8573 -103.0841 -75.7256 760815.6033 3.9682 3.9960 PRESSURE: 3274400 -127.849 128.518 -58.5868 128.517 -47.7597 -93.2857 -58.5865 -93.286 -135.568 GPRESSURE: 3274400 -134.688 78.7118 -104.599 142.56 -9.42098 -14.7885 -29.809 -38.2027 -74.6095 PRESSAVG: 3274400 15.4752 -21.7299 -1.13609 -21.7299 -23.1028 46.7918 -1.13614 46.7918 32.6361 GPRESSAVG: 3274400 15.5873 -20.6124 -1.32824 -24.2688 -24.0947 48.7709 0.249367 47.164 33.2914 TIMING: 3274400 CPU: 10347.9, 0.00314473/step Wall: 10347.9, 0.00314473/step, 1.50737 hours remaining, 238.941406 MB of memory in use. ENERGY: 3274400 3997.4861 20328.6928 14459.9720 233.5435 -203036.1911 2433.5920 0.0000 0.0000 52280.7294 -109302.1754 300.4581 -161582.9048 -108930.9774 299.1824 -103.7258 -72.9060 762081.4317 8.3361 8.2613 PRESSURE: 3274600 169.082 -109.425 -92.862 -109.426 -183.825 -78.4288 -92.8624 -78.4292 148.856 GPRESSURE: 3274600 207.522 -11.011 -166.928 -69.7552 -115.652 -31.1329 -124.1 -105.924 125.75 PRESSAVG: 3274600 10.2687 -64.9119 13.0173 -64.912 -20.1719 76.6141 13.0173 76.6141 -3.92986 GPRESSAVG: 3274600 10.8892 -64.6906 15.1845 -63.5878 -19.0159 77.2588 9.23269 76.7975 -5.24135 TIMING: 3274600 CPU: 10348.5, 0.00317543/step Wall: 10348.5, 0.00317543/step, 1.52191 hours remaining, 238.941406 MB of memory in use. ENERGY: 3274600 4024.0088 20530.9175 14425.8170 242.4686 -203656.0976 2852.6061 0.0000 0.0000 52192.4133 -109387.8663 299.9505 -161580.2796 -109033.3294 299.2332 44.7040 72.5399 761696.5206 -4.6110 -4.4560 PRESSURE: 3274800 133.462 122.713 57.5333 122.714 182.363 5.30641 57.5335 5.3062 84.9936 GPRESSURE: 3274800 78.9263 114.096 -18.4464 -9.01415 240.868 -35.502 59.672 -13.9631 138.252 PRESSAVG: 3274800 26.3564 -27.1186 -0.66313 -27.1186 -15.7327 49.1209 -0.663166 49.121 4.35187 GPRESSAVG: 3274800 25.6288 -26.7098 -0.820197 -26.3064 -16.0843 48.4842 1.14727 48.1193 5.3522 TIMING: 3274800 CPU: 10349.2, 0.0031597/step Wall: 10349.2, 0.0031597/step, 1.5142 hours remaining, 238.941406 MB of memory in use. ENERGY: 3274800 3917.1074 20549.5795 14427.6519 245.6162 -203554.4649 2922.3328 0.0000 0.0000 52145.1933 -109346.9840 299.6791 -161492.1772 -108986.3568 299.3037 133.6064 152.6823 760828.3196 4.9918 4.9656 PRESSURE: 3275000 -99.4135 112.494 -46.9206 112.494 -138.726 -128.621 -46.9211 -128.622 -139.622 GPRESSURE: 3275000 -10.432 49.399 28.6254 7.11837 -233.596 -139.82 -146.752 -74.4546 -75.5046 PRESSAVG: 3275000 -32.1263 -14.1397 46.7546 -14.1397 2.19386 19.7882 46.7545 19.7882 -21.2053 GPRESSAVG: 3275000 -32.0199 -15.2166 44.9895 -15.6526 2.21394 19.8813 47.9475 20.6425 -20.6824 TIMING: 3275000 CPU: 10349.8, 0.00314175/step Wall: 10349.8, 0.00314175/step, 1.50542 hours remaining, 238.941406 MB of memory in use. ENERGY: 3275000 3936.9282 20552.3652 14520.0303 254.4429 -202739.8734 2199.2770 0.0000 0.0000 51852.8444 -109423.9854 297.9990 -161276.8298 -109050.6682 299.1239 -125.9205 -106.5110 762185.1061 -17.0459 -16.8294 PRESSURE: 3275200 78.8277 -251.556 179.73 -251.557 -100.091 -71.6691 179.73 -71.6704 -104.818 GPRESSURE: 3275200 27.3737 -300.211 152.431 -236.587 32.6957 -65.6474 201.953 -119.825 -123.371 PRESSAVG: 3275200 -42.5962 -6.30718 20.5002 -6.30718 0.131141 4.99702 20.5002 4.99703 26.7013 GPRESSAVG: 3275200 -42.3569 -4.48757 22.577 -7.55021 0.767768 5.44809 16.7357 3.9081 25.9468 TIMING: 3275200 CPU: 10350.4, 0.00315811/step Wall: 10350.4, 0.00315811/step, 1.51309 hours remaining, 238.941406 MB of memory in use. ENERGY: 3275200 4082.6629 20565.9286 14475.3361 233.4707 -203509.8508 2736.1616 0.0000 0.0000 51895.2379 -109521.0530 298.2426 -161416.2909 -109163.0142 298.9378 -42.0271 -21.1005 762365.1527 -5.2546 -5.2141 PRESSURE: 3275400 249.964 -0.883124 -21.1391 -0.883761 -12.2535 32.5527 -21.1401 32.5518 -20.592 GPRESSURE: 3275400 264.603 99.8399 7.49003 -12.5945 -0.870765 79.0196 -12.8724 38.116 52.4844 PRESSAVG: 3275400 9.10652 -31.4669 35.8144 -31.4669 -16.8973 -0.935499 35.8144 -0.935533 11.9019 GPRESSAVG: 3275400 9.20334 -31.6964 36.9523 -30.0051 -16.8067 -2.68052 37.0694 0.24258 12.8576 TIMING: 3275400 CPU: 10351, 0.00316908/step Wall: 10351, 0.00316908/step, 1.51816 hours remaining, 238.941406 MB of memory in use. ENERGY: 3275400 3905.2916 20587.6849 14527.7713 264.1648 -203590.9815 2663.0115 0.0000 0.0000 52264.4844 -109378.5731 300.3647 -161643.0575 -109027.1713 299.6272 72.3730 105.4056 760720.5434 1.3704 1.7514 PRESSURE: 3275600 245.769 -31.6818 -138.117 -31.6815 -94.4666 108.546 -138.115 108.547 112.659 GPRESSURE: 3275600 174.746 6.57816 -136.564 -35.7885 -24.5963 200.002 -178.754 112.104 190.473 PRESSAVG: 3275600 17.5446 -20.3085 -51.0534 -20.3084 12.4437 84.5468 -51.0535 84.5468 4.264 GPRESSAVG: 3275600 17.0024 -21.0605 -51.3902 -20.5613 12.6556 84.7871 -52.3388 83.8821 3.91402 TIMING: 3275600 CPU: 10351.7, 0.00318168/step Wall: 10351.7, 0.00318168/step, 1.52403 hours remaining, 238.941406 MB of memory in use. ENERGY: 3275600 3949.8488 20552.7412 14435.7618 243.8733 -203327.7286 2570.5022 0.0000 0.0000 52234.3917 -109340.6097 300.1918 -161575.0015 -108978.7008 299.7658 87.9874 113.5408 760364.7342 11.4174 11.1907 PRESSURE: 3275800 -92.1449 -264.956 -261.934 -264.956 -112.897 -252.166 -261.934 -252.165 259.948 GPRESSURE: 3275800 18.627 -202.166 -328.793 -323.462 -63.8512 -194.129 -223.994 -110.358 187.3 PRESSAVG: 3275800 -18.1454 -37.1277 -43.8207 -37.1276 65.6738 -27.3924 -43.8208 -27.3925 35.9534 GPRESSAVG: 3275800 -15.9121 -36.1481 -43.8771 -37.3723 65.2552 -26.4714 -42.3781 -27.3176 33.6474 TIMING: 3275800 CPU: 10352.3, 0.00317619/step Wall: 10352.3, 0.00317619/step, 1.52122 hours remaining, 238.941406 MB of memory in use. ENERGY: 3275800 3923.3413 20482.2381 14448.3747 256.4222 -203632.8948 2727.1805 0.0000 0.0000 52234.7019 -109560.6361 300.1935 -161795.3380 -109199.6710 299.7219 18.3018 47.3587 760454.7291 27.8273 27.6635 PRESSURE: 3276000 4.5935 23.4622 137.9 23.4611 -260.588 122.448 137.9 122.448 -168.875 GPRESSURE: 3276000 40.377 105.015 90.7729 -32.7814 -224.547 172.656 3.97907 142.233 -148.498 PRESSAVG: 3276000 31.7738 -79.065 -55.6432 -79.065 -11.0349 19.8361 -55.6431 19.8362 30.788 GPRESSAVG: 3276000 30.97 -78.9838 -56.7369 -80.565 -11.9144 19.547 -55.2165 21.6962 32.6657 TIMING: 3276000 CPU: 10352.9, 0.00316809/step Wall: 10352.9, 0.00316809/step, 1.51716 hours remaining, 238.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3276000 3952.4809 20478.7438 14419.6984 237.5395 -203670.0414 2606.2487 0.0000 0.0000 52117.0145 -109858.3157 299.5172 -161975.3302 -109498.0631 298.7693 -141.6233 -110.8894 759227.8772 17.1756 17.2404 PRESSURE: 3276200 95.0197 86.684 -121.754 86.6837 -144.47 97.8378 -121.753 97.8375 -234.71 GPRESSURE: 3276200 82.7927 2.65185 -78.0577 85.278 -89.7289 67.6252 13.929 55.3195 -202.396 PRESSAVG: 3276200 56.8651 -43.0803 -22.9985 -43.0803 -43.9412 -43.7443 -22.9985 -43.7443 3.66667 GPRESSAVG: 3276200 56.8272 -43.176 -22.4525 -40.776 -43.6519 -42.3959 -21.7173 -45.6109 3.19439 TIMING: 3276200 CPU: 10353.6, 0.00318179/step Wall: 10353.6, 0.00318179/step, 1.52355 hours remaining, 238.941406 MB of memory in use. ENERGY: 3276200 3939.9260 20474.2508 14445.7521 248.3826 -203417.5067 2507.5967 0.0000 0.0000 52078.0661 -109723.5325 299.2934 -161801.5986 -109357.4831 298.8831 -94.7201 -69.7774 761903.2085 5.5302 5.4566 LDB: ============= START OF LOAD BALANCING ============== 10366 LDB: ============== END OF LOAD BALANCING =============== 10366 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10366 LDB: ============= START OF LOAD BALANCING ============== 10366.3 LDB: Largest compute 7033 load 0.032187 is 16.4% of average load 0.196100 LDB: Average compute 0.004369 is 2.2% of average load 0.196100 LDB: TIME 10366.3 LOAD: AVG 0.1961 MAX 0.217576 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 10366.3 LOAD: AVG 0.1961 MAX 0.217576 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 10366.3 LOAD: AVG 0.1961 MAX 0.217576 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 10366.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10366.3 PRESSURE: 3276400 85.7718 32.0102 33.3013 32.0099 -527.189 -96.0176 33.3016 -96.018 -104.623 GPRESSURE: 3276400 160.244 -12.5126 20.9447 40.7743 -493.631 -45.8469 126.185 -101.163 -143.278 PRESSAVG: 3276400 44.9662 -49.7792 36.9505 -49.7793 -23.7742 4.63148 36.9505 4.63154 -5.70077 GPRESSAVG: 3276400 45.418 -51.917 37.4003 -48.6199 -23.6154 3.47581 36.6007 4.01987 -6.22287 TIMING: 3276400 CPU: 10354.2, 0.00322409/step Wall: 10354.2, 0.00322408/step, 1.54362 hours remaining, 237.843750 MB of memory in use. ENERGY: 3276400 3920.2463 20325.5454 14428.9227 264.6061 -203214.1728 2567.3607 0.0000 0.0000 52005.8391 -109701.6525 298.8783 -161707.4916 -109327.5004 299.1732 -182.0132 -158.8885 761712.9818 5.1637 5.1933 PRESSURE: 3276600 115.1 -101.056 -38.9111 -101.055 -69.2988 45.4251 -38.9108 45.4248 170.84 GPRESSURE: 3276600 130.016 -94.6969 55.312 4.66802 22.6742 28.0844 -82.1593 118.083 115.452 PRESSAVG: 3276600 56.0091 -15.8515 -21.4245 -15.8514 -94.5494 14.7638 -21.4245 14.7638 8.574 GPRESSAVG: 3276600 55.0922 -13.5601 -21.5759 -16.4206 -94.5574 13.9051 -21.7742 15.5208 9.49455 TIMING: 3276600 CPU: 10354.9, 0.00313523/step Wall: 10354.9, 0.00313524/step, 1.50091 hours remaining, 237.843750 MB of memory in use. ENERGY: 3276600 4045.6471 20576.4386 14467.3892 243.5512 -203531.6321 2557.2446 0.0000 0.0000 52161.5869 -109479.7745 299.7734 -161641.3614 -109119.8729 298.9714 72.2138 89.3807 760581.5589 -9.9888 -9.9902 PRESSURE: 3276800 -1.07671 45.4899 -115.187 45.49 -367.619 -60.9563 -115.188 -60.956 -179.393 GPRESSURE: 3276800 -56.3151 178.699 -51.2563 40.7114 -325.496 -53.7902 -133.298 -184.562 -84.225 PRESSAVG: 3276800 44.3488 -53.054 6.85905 -53.054 -43.4935 12.248 6.85916 12.2481 26.2608 GPRESSAVG: 3276800 44.375 -52.0507 6.99021 -54.2618 -43.501 12.1384 5.62708 11.6876 26.3865 TIMING: 3276800 CPU: 10355.5, 0.00313554/step Wall: 10355.5, 0.00313554/step, 1.50088 hours remaining, 237.843750 MB of memory in use. ENERGY: 3276800 4038.9223 20525.4805 14411.5457 252.4638 -202977.5569 2424.5947 0.0000 0.0000 51959.5224 -109365.0276 298.6121 -161324.5500 -109010.3929 299.3704 -182.6961 -155.3453 761515.9937 9.0387 9.0868 PRESSURE: 3277000 -13.0611 4.08586 -20.975 4.08664 -134.503 -55.4847 -20.9747 -55.4854 -89.2689 GPRESSURE: 3277000 -10.9213 63.977 -98.6082 -24.6928 -50.8006 -26.2932 26.222 -19.598 -93.4754 PRESSAVG: 3277000 0.553849 -25.703 9.58811 -25.703 -54.4763 31.637 9.58809 31.637 11.6039 GPRESSAVG: 3277000 0.420285 -26.1366 8.28189 -24.9886 -55.1691 33.4056 11.4949 30.704 12.3439 TIMING: 3277000 CPU: 10356.1, 0.00312725/step Wall: 10356.1, 0.00312725/step, 1.49674 hours remaining, 237.843750 MB of memory in use. ENERGY: 3277000 3977.8441 20526.5145 14401.6379 259.4522 -203480.6868 2609.7696 0.0000 0.0000 52395.9859 -109309.4826 301.1205 -161705.4685 -108939.5111 299.7067 -78.9444 -51.7324 761146.3195 -14.1062 -14.1350 PRESSURE: 3277200 -103.772 -225.183 55.5082 -225.184 -375.932 -50.5442 55.508 -50.5456 -134.664 GPRESSURE: 3277200 -112.395 -316.5 67.1295 -275.804 -289.443 -26.4896 44.5702 68.6066 -115.07 PRESSAVG: 3277200 75.3598 -98.3954 -8.11785 -98.3954 -58.5555 -12.21 -8.1178 -12.2101 12.9797 GPRESSAVG: 3277200 75.5734 -97.3807 -7.70649 -98.622 -58.2919 -13.3505 -7.60141 -12.8515 13.0034 TIMING: 3277200 CPU: 10356.7, 0.00314814/step Wall: 10356.7, 0.00314814/step, 1.50656 hours remaining, 237.843750 MB of memory in use. ENERGY: 3277200 4077.3632 20423.5310 14482.1644 233.0897 -203261.0514 2476.2148 0.0000 0.0000 52179.3645 -109389.3239 299.8755 -161568.6883 -109020.4718 299.3814 -204.7894 -172.3027 761474.9381 9.9280 10.0950 PRESSURE: 3277400 86.5749 -56.1311 69.7215 -56.1313 39.7402 -55.8208 69.7214 -55.8212 392.934 GPRESSURE: 3277400 103.481 -79.7296 -14.7931 -17.9012 147.42 -80.9975 15.9992 15.103 342.285 PRESSAVG: 3277400 2.07725 -67.1018 23.4286 -67.1018 -14.1625 -2.40517 23.4286 -2.40522 -26.2513 GPRESSAVG: 3277400 2.32436 -68.1389 23.0855 -67.7172 -13.4031 -2.85882 22.1855 -1.34203 -27.0545 TIMING: 3277400 CPU: 10357.4, 0.00313995/step Wall: 10357.4, 0.00313995/step, 1.50247 hours remaining, 237.843750 MB of memory in use. ENERGY: 3277400 3907.6604 20521.7815 14528.1683 262.7596 -203526.2070 2624.7604 0.0000 0.0000 52305.4950 -109375.5817 300.6004 -161681.0767 -109021.7657 299.4970 173.0829 197.7289 760995.8100 -12.7789 -12.7111 PRESSURE: 3277600 163.326 -133.814 -22.4321 -133.814 -63.1792 5.49915 -22.4321 5.49915 212.796 GPRESSURE: 3277600 136.284 -80.8999 -46.0968 -72.4259 -1.18754 34.7065 -9.84373 28.2685 255.441 PRESSAVG: 3277600 -6.41892 -41.6395 -2.89592 -41.6395 -3.37054 36.9034 -2.89593 36.9034 21.0714 GPRESSAVG: 3277600 -6.87201 -41.1529 -2.17392 -41.9016 -2.78446 38.2178 -4.47487 37.3918 20.8362 TIMING: 3277600 CPU: 10358, 0.00313542/step Wall: 10358, 0.00313542/step, 1.50013 hours remaining, 237.843750 MB of memory in use. ENERGY: 3277600 3989.9324 20644.6205 14452.3164 228.6204 -203458.0354 2615.6584 0.0000 0.0000 52231.9550 -109294.9324 300.1778 -161526.8874 -108927.1403 299.3365 104.3145 130.1792 761699.3974 3.7607 3.7266 PRESSURE: 3277800 -7.47508 -39.0443 -173.68 -39.0443 -150.557 -202.478 -173.679 -202.479 168.514 GPRESSURE: 3277800 78.4191 48.2526 -125.604 52.7344 -162.352 -206.198 -79.5144 -241.892 161.293 PRESSAVG: 3277800 -2.8404 -22.8136 7.51967 -22.8136 3.24112 -33.3733 7.51969 -33.3732 -14.3804 GPRESSAVG: 3277800 -1.8377 -23.2978 7.54211 -22.3783 2.08226 -34.1384 8.74071 -33.0973 -13.9256 TIMING: 3277800 CPU: 10358.6, 0.00313149/step Wall: 10358.6, 0.00313149/step, 1.49807 hours remaining, 237.843750 MB of memory in use. ENERGY: 3277800 4020.9999 20601.4940 14477.4943 264.7970 -203487.8618 2881.5256 0.0000 0.0000 51898.8532 -109342.6977 298.2634 -161241.5509 -108982.1991 299.6177 3.4939 25.7866 762249.6627 -4.6599 -4.5603 PRESSURE: 3278000 13.6937 -155.038 140.117 -155.037 246.081 4.12114 140.117 4.12032 -20.7079 GPRESSURE: 3278000 36.2868 -118.258 70.2359 -112.86 284.556 25.0573 24.5276 60.7334 -14.3318 PRESSAVG: 3278000 19.5251 -16.035 27.5339 -16.035 -7.46135 -29.3229 27.5339 -29.323 -4.97259 GPRESSAVG: 3278000 18.9907 -16.9239 27.3422 -15.868 -7.11786 -30.575 28.4617 -28.1174 -5.25609 TIMING: 3278000 CPU: 10359.3, 0.00316075/step Wall: 10359.3, 0.00316075/step, 1.51189 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3278000 3982.0116 20595.3216 14419.0451 264.1398 -203228.3784 2413.9360 0.0000 0.0000 52198.6352 -109355.2891 299.9863 -161553.9243 -108986.3974 299.6949 79.6890 102.1705 762114.1191 2.3637 2.2056 PRESSURE: 3278200 343.625 47.94 301.188 47.9401 247.349 28.3233 301.187 28.3252 95.2461 GPRESSURE: 3278200 318.388 -61.9406 391.995 -20.0296 305.148 15.7234 105.607 -39.7961 151.58 PRESSAVG: 3278200 23.1236 -7.51365 -19.0941 -7.51361 1.40535 -0.253056 -19.0941 -0.253008 -10.3857 GPRESSAVG: 3278200 23.6965 -8.07603 -20.2883 -9.23312 1.36868 0.372068 -20.4642 -2.65241 -10.271 TIMING: 3278200 CPU: 10359.9, 0.0031605/step Wall: 10359.9, 0.0031605/step, 1.5116 hours remaining, 237.843750 MB of memory in use. ENERGY: 3278200 4066.8758 20444.3155 14490.6446 262.4570 -203379.7265 2770.1027 0.0000 0.0000 52163.8703 -109181.4606 299.7865 -161345.3310 -108815.7432 299.5511 228.7398 258.3717 760673.2954 4.7144 4.9314 PRESSURE: 3278400 -190.769 -58.2232 -116.268 -58.224 -95.598 14.5086 -116.269 14.5077 243.401 GPRESSURE: 3278400 -73.8961 -113.224 -100.165 23.5222 -106.378 26.9478 -100.577 102.342 205.121 PRESSAVG: 3278400 59.1006 -60.1173 48.3822 -60.1174 -61.0356 -8.18865 48.3823 -8.18861 0.131026 GPRESSAVG: 3278400 59.4996 -59.1064 50.5651 -59.4586 -61.9221 -7.35151 48.1944 -6.30526 0.346453 TIMING: 3278400 CPU: 10360.5, 0.00315423/step Wall: 10360.5, 0.00315423/step, 1.50842 hours remaining, 237.843750 MB of memory in use. ENERGY: 3278400 4010.2311 20433.3175 14467.1360 229.4333 -203265.6572 2729.9495 0.0000 0.0000 52230.8211 -109164.7687 300.1712 -161395.5898 -108806.3343 299.6059 -14.3218 8.2822 762671.1451 -0.6013 -0.6920 PRESSURE: 3278600 -478.772 187.106 3.97124 187.106 -271.953 -77.9008 3.97071 -77.9008 -98.9154 GPRESSURE: 3278600 -362.672 81.3921 2.03264 138.103 -218.847 66.8711 39.0883 -66.9156 -174.18 PRESSAVG: 3278600 9.40093 -13.8711 -22.6054 -13.8711 -23.1398 13.7912 -22.6054 13.7912 -23.0222 GPRESSAVG: 3278600 7.98631 -12.9729 -23.6394 -12.4084 -21.4755 14.9196 -23.1294 11.3225 -23.4473 TIMING: 3278600 CPU: 10361.1, 0.0031364/step Wall: 10361.1, 0.0031364/step, 1.49972 hours remaining, 237.843750 MB of memory in use. ENERGY: 3278600 4013.3660 20459.4586 14474.2199 249.3871 -202910.9896 2291.9762 0.0000 0.0000 52297.2328 -109125.3490 300.5529 -161422.5818 -108758.1229 299.5372 -283.2135 -251.8995 763476.0976 -12.2537 -12.3122 PRESSURE: 3278800 22.9475 80.6312 39.0849 80.6319 -422.797 -140.637 39.0858 -140.638 -103.082 GPRESSURE: 3278800 50.0335 61.9325 71.5116 31.1188 -305.142 -195.124 1.49496 20.9619 -176.786 PRESSAVG: 3278800 66.9908 -55.8109 -6.43792 -55.8109 -78.9986 11.1118 -6.43795 11.1118 15.1858 GPRESSAVG: 3278800 67.2751 -56.9031 -6.63923 -56.4788 -78.5556 6.5776 -6.59351 15.6741 14.4262 TIMING: 3278800 CPU: 10361.8, 0.00314336/step Wall: 10361.8, 0.00314336/step, 1.50288 hours remaining, 237.843750 MB of memory in use. ENERGY: 3278800 4080.4621 20317.2576 14521.4751 228.9281 -202940.0281 2344.7990 0.0000 0.0000 52214.8153 -109232.2908 300.0793 -161447.1062 -108875.5423 300.1348 -167.6438 -143.9648 761729.8407 1.0593 1.0486 PRESSURE: 3279000 72.3461 -278.487 -207.293 -278.486 -227.769 -8.22764 -207.292 -8.22617 -86.1788 GPRESSURE: 3279000 47.3775 -265.737 -210.221 -372.081 -175.314 99.3174 -52.3219 76.8233 -30.6173 PRESSAVG: 3279000 64.3987 -21.9913 24.83 -21.9913 -36.3984 26.7357 24.83 26.7357 -23.4697 GPRESSAVG: 3279000 65.4858 -22.3462 26.5408 -21.4268 -38.1134 30.7356 23.9109 22.9696 -22.4871 TIMING: 3279000 CPU: 10362.4, 0.00320767/step Wall: 10362.4, 0.00320767/step, 1.53344 hours remaining, 237.843750 MB of memory in use. ENERGY: 3279000 3964.4621 20447.6264 14502.3977 249.1763 -202904.6651 2386.4552 0.0000 0.0000 52267.1749 -109087.3725 300.3802 -161354.5474 -108723.3475 299.9304 -80.5338 -52.8512 761154.7329 1.5102 1.6284 PRESSURE: 3279200 -81.3904 56.5559 67.7917 56.5559 -276.738 -113.525 67.7924 -113.526 -452.232 GPRESSURE: 3279200 11.7686 -0.904703 56.0693 37.9663 -245.529 -163.429 102.948 -198.368 -457.388 PRESSAVG: 3279200 7.29001 29.5088 -41.6181 29.5088 -22.6608 33.5449 -41.6181 33.5448 1.31737 GPRESSAVG: 3279200 5.85536 28.2551 -43.6502 29.449 -20.1955 31.7547 -40.2428 35.3133 -0.0968103 TIMING: 3279200 CPU: 10363, 0.00316852/step Wall: 10363, 0.00316852/step, 1.51455 hours remaining, 237.843750 MB of memory in use. ENERGY: 3279200 4008.5178 20536.0716 14441.0601 247.0378 -202940.8683 2126.3247 0.0000 0.0000 52370.3554 -109211.5008 300.9732 -161581.8562 -108840.3262 299.7592 -270.1201 -230.3827 761281.8992 -4.6845 -4.8123 PRESSURE: 3279400 -25.8186 101.31 15.3562 101.31 22.0293 73.7066 15.3564 73.7067 -237.225 GPRESSURE: 3279400 94.8038 165.045 92.6216 -4.01309 -3.4332 13.9988 12.4635 153.335 -259.574 PRESSAVG: 3279400 52.7083 15.2005 15.1777 15.2005 -42.6904 -18.5385 15.1777 -18.5385 4.29667 GPRESSAVG: 3279400 53.6959 16.3389 16.1091 16.1104 -44.4077 -18.9481 15.1809 -18.9912 5.2753 TIMING: 3279400 CPU: 10363.7, 0.00317918/step Wall: 10363.7, 0.00317918/step, 1.51947 hours remaining, 237.843750 MB of memory in use. ENERGY: 3279400 4064.9665 20494.5024 14478.7876 260.9055 -203216.9561 2525.0280 0.0000 0.0000 52302.6521 -109090.1141 300.5841 -161392.7662 -108726.9093 300.1653 -80.3382 -56.0679 760926.7802 4.7715 4.8545 PRESSURE: 3279600 -73.6019 24.9488 -14.2387 24.9496 -365.544 -12.3314 -14.2388 -12.3315 -444.317 GPRESSURE: 3279600 -135.523 8.3058 -16.9002 88.7303 -218.808 58.0337 30.1032 -38.8507 -443.53 PRESSAVG: 3279600 32.8864 -2.88668 -43.0103 -2.88671 -27.0473 -0.675109 -43.0102 -0.675122 7.47996 GPRESSAVG: 3279600 33.2185 -1.10359 -42.7408 -3.3359 -27.5337 0.516526 -43.7561 0.671129 7.54128 TIMING: 3279600 CPU: 10364.3, 0.00316243/step Wall: 10364.3, 0.00316243/step, 1.51129 hours remaining, 237.843750 MB of memory in use. ENERGY: 3279600 4067.4953 20562.2891 14528.2176 253.7672 -203013.3754 2290.5798 0.0000 0.0000 52256.5127 -109054.5138 300.3189 -161311.0265 -108700.1757 300.0319 -294.4874 -265.9539 762034.6418 4.4397 4.4087 PRESSURE: 3279800 -61.8337 -168.499 -213.041 -168.5 -50.0522 -76.9571 -213.041 -76.9573 -37.3491 GPRESSURE: 3279800 -11.3686 -149.281 -173.756 -231.079 -57.0013 -4.27475 -245.378 -82.9174 -10.2629 PRESSAVG: 3279800 -31.7785 -30.0371 -3.92758 -30.0371 17.4258 10.1172 -3.9276 10.1172 -0.210872 GPRESSAVG: 3279800 -32.0282 -30.7888 -3.61909 -28.2669 17.5692 10.6601 -2.13056 7.15337 -0.34587 TIMING: 3279800 CPU: 10365, 0.00317089/step Wall: 10365, 0.00317089/step, 1.51516 hours remaining, 237.843750 MB of memory in use. ENERGY: 3279800 4005.8911 20716.7228 14522.8695 246.1136 -203389.2990 2644.5472 0.0000 0.0000 52134.8495 -109118.3052 299.6197 -161253.1547 -108751.4512 300.2901 -49.7450 -26.2110 761651.6018 -4.8545 -4.9350 PRESSURE: 3280000 -108.216 196.102 -22.6479 196.102 -462.222 -216.141 -22.6479 -216.142 -40.6897 GPRESSURE: 3280000 -95.1643 71.8592 -18.9517 212.301 -446.106 -164.368 -12.8023 -186.722 -0.135243 PRESSAVG: 3280000 32.2845 -49.9222 -37.7995 -49.9221 -39.6719 -33.7829 -37.7995 -33.7829 -5.68273 GPRESSAVG: 3280000 31.3137 -51.9927 -38.5757 -51.1068 -38.8292 -34.505 -37.7532 -33.8263 -5.91739 TIMING: 3280000 CPU: 10365.6, 0.00314816/step Wall: 10365.6, 0.00314816/step, 1.50412 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3280000 3994.4119 20494.5863 14556.6135 248.1868 -203009.1415 2258.2998 0.0000 0.0000 52120.2027 -109336.8405 299.5355 -161457.0432 -108971.0924 300.1919 -203.7093 -180.4686 762693.5298 -4.3567 -4.4776 PRESSURE: 3280200 -224.661 11.0496 34.048 11.0498 -220.691 -401.82 34.0479 -401.82 -194.362 GPRESSURE: 3280200 -199.011 89.3145 93.3945 135.367 -235.94 -406.307 66.3056 -257.08 -127.072 PRESSAVG: 3280200 25.9503 -28.8789 -4.76783 -28.879 -19.3054 4.94523 -4.7678 4.94518 -13.5421 GPRESSAVG: 3280200 27.2987 -24.7247 -4.67456 -30.3339 -20.7846 4.84842 -6.41771 7.77199 -12.9406 TIMING: 3280200 CPU: 10366.2, 0.00313998/step Wall: 10366.2, 0.00313999/step, 1.50004 hours remaining, 237.843750 MB of memory in use. ENERGY: 3280200 4018.8945 20614.6541 14468.0598 243.0429 -202820.5851 2162.3624 0.0000 0.0000 51952.1060 -109361.4655 298.5695 -161313.5714 -109009.8115 299.5246 -213.2380 -187.3412 761784.1129 -2.2991 -2.1422 LDB: ============= START OF LOAD BALANCING ============== 10378.6 LDB: ============== END OF LOAD BALANCING =============== 10378.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10378.6 LDB: ============= START OF LOAD BALANCING ============== 10378.9 LDB: Largest compute 7038 load 0.030533 is 15.6% of average load 0.196168 LDB: Average compute 0.004373 is 2.2% of average load 0.196168 LDB: TIME 10378.9 LOAD: AVG 0.196168 MAX 0.217225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 10378.9 LOAD: AVG 0.196168 MAX 0.217225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 10378.9 LOAD: AVG 0.196168 MAX 0.217225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: ============== END OF LOAD BALANCING =============== 10378.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10378.9 PRESSURE: 3280400 -231.613 136.076 -199.934 136.076 -187.567 185.473 -199.934 185.473 -54.7248 GPRESSURE: 3280400 -152.505 190.446 -314.013 -13.2814 -158.588 312.645 -137.28 114.482 -75.0193 PRESSAVG: 3280400 56.7647 -28.12 -45.6384 -28.1201 -72.6006 -18.3411 -45.6384 -18.3411 -7.3436 GPRESSAVG: 3280400 54.9378 -32.0461 -46.3331 -26.5867 -71.3961 -19.2381 -45.9454 -18.926 -6.72579 TIMING: 3280400 CPU: 10366.8, 0.00320092/step Wall: 10366.8, 0.00320092/step, 1.52897 hours remaining, 238.613281 MB of memory in use. ENERGY: 3280400 4088.1566 20604.5876 14439.6913 250.9149 -203541.9796 2660.5401 0.0000 0.0000 52151.8619 -109346.2272 299.7175 -161498.0891 -108989.1004 299.6835 -157.9685 -128.7040 760630.4439 -7.7265 -7.7280 PRESSURE: 3280600 -89.1785 -243.687 -43.5644 -243.687 -151.064 38.9158 -43.5638 38.9172 -303.771 GPRESSURE: 3280600 -98.6727 -214.714 -88.6418 -213.889 -134.555 48.0932 -69.1065 -78.8367 -244.247 PRESSAVG: 3280600 42.844 12.3148 -2.05158 12.3148 -18.4158 -12.1251 -2.05162 -12.1251 0.614497 GPRESSAVG: 3280600 44.2702 12.8377 0.0611959 12.2251 -19.338 -12.6067 -1.33422 -13.5912 -0.372363 TIMING: 3280600 CPU: 10367.5, 0.00313026/step Wall: 10367.5, 0.00313026/step, 1.49504 hours remaining, 238.613281 MB of memory in use. ENERGY: 3280600 3994.6407 20576.1520 14441.3834 251.8939 -203441.0203 2508.6597 0.0000 0.0000 52089.9614 -109578.3291 299.3617 -161668.2905 -109222.8575 299.1065 -181.3381 -159.1582 762035.0043 8.3476 8.1866 PRESSURE: 3280800 -531.158 -18.5223 34.027 -18.5219 39.6264 -23.7245 34.0278 -23.7253 -250.549 GPRESSURE: 3280800 -541.823 23.6682 15.4269 -45.5199 76.8795 -75.0149 -12.891 18.0246 -193.896 PRESSAVG: 3280800 -22.815 -38.5048 -7.26075 -38.5048 19.1311 28.4381 -7.26077 28.438 4.92816 GPRESSAVG: 3280800 -23.6291 -37.0105 -8.33261 -38.5184 20.0135 29.7411 -7.76303 29.5704 4.60676 TIMING: 3280800 CPU: 10368.1, 0.00315651/step Wall: 10368.1, 0.00315651/step, 1.50741 hours remaining, 238.613281 MB of memory in use. ENERGY: 3280800 4110.6303 20520.9121 14476.0770 246.0569 -203430.2786 2593.6332 0.0000 0.0000 52077.3943 -109405.5747 299.2895 -161482.9690 -109049.5065 299.1264 -247.3604 -219.6130 761935.6357 0.4148 0.3304 PRESSURE: 3281000 -46.7489 -100.141 -20.5944 -100.14 125.156 -44.3106 -20.5943 -44.3109 -231.617 GPRESSURE: 3281000 -9.61508 -362.217 30.8406 -138.567 140.078 -71.7474 85.449 32.5237 -209.354 PRESSAVG: 3281000 64.6744 -32.758 -10.7719 -32.7579 -65.8158 11.4371 -10.7719 11.4371 -23.7393 GPRESSAVG: 3281000 64.757 -32.911 -10.2416 -33.4045 -66.9759 10.583 -9.18792 10.6619 -22.8611 TIMING: 3281000 CPU: 10368.7, 0.00315716/step Wall: 10368.7, 0.00315716/step, 1.50754 hours remaining, 238.613281 MB of memory in use. ENERGY: 3281000 4022.2539 20475.5043 14505.5886 270.5543 -203743.4056 2897.1370 0.0000 0.0000 52147.4847 -109424.8828 299.6923 -161572.3675 -109063.4543 299.0289 -51.0699 -26.2967 761553.4280 -8.2936 -8.3600 PRESSURE: 3281200 -475.424 -192.096 46.9145 -192.095 -229.827 -116.661 46.9143 -116.662 -285.443 GPRESSURE: 3281200 -419.452 -127.846 81.8513 -207.122 -200.983 -113.217 41.2522 -66.1212 -291.935 PRESSAVG: 3281200 37.4538 -21.5254 9.60063 -21.5253 -33.7139 -32.187 9.60066 -32.1871 0.69201 GPRESSAVG: 3281200 37.0686 -22.6492 8.37357 -22.782 -33.3834 -31.1399 8.85146 -30.3687 0.56034 TIMING: 3281200 CPU: 10369.4, 0.00316552/step Wall: 10369.4, 0.00316552/step, 1.51136 hours remaining, 238.613281 MB of memory in use. ENERGY: 3281200 4037.8700 20602.3308 14438.6133 252.0129 -202908.3617 2068.5098 0.0000 0.0000 52003.5911 -109505.4338 298.8654 -161509.0249 -109146.6659 299.4533 -330.2315 -304.1232 761830.8740 1.4773 1.4152 PRESSURE: 3281400 34.438 34.4461 -52.0872 34.4454 -9.27846 -124.386 -52.0879 -124.386 286.877 GPRESSURE: 3281400 -48.2176 -20.9221 -39.734 73.7851 89.6407 -123.087 -2.01483 -48.2859 328.703 PRESSAVG: 3281400 38.0762 19.1418 56.6125 19.1418 -46.958 -0.131912 56.6124 -0.131906 -7.39876 GPRESSAVG: 3281400 37.6668 19.6182 58.7789 20.0797 -46.3151 -1.41982 57.2955 -1.87792 -7.95958 TIMING: 3281400 CPU: 10370, 0.00315254/step Wall: 10370, 0.00315254/step, 1.50499 hours remaining, 238.613281 MB of memory in use. ENERGY: 3281400 3993.6166 20496.7582 14511.6676 266.9627 -203449.1230 2615.1041 0.0000 0.0000 52063.8342 -109501.1797 299.2116 -161565.0139 -109132.8271 299.2069 104.0123 123.3755 761519.0538 -5.4268 -5.5360 PRESSURE: 3281600 -413.257 29.5754 -181.558 29.5755 -249.047 172.476 -181.558 172.475 -224.236 GPRESSURE: 3281600 -354.201 24.5719 -201.893 94.9317 -161.83 228.714 -91.1325 118.25 -281.25 PRESSAVG: 3281600 19.4964 -22.3797 16.3847 -22.3797 -28.674 3.46553 16.3848 3.46557 13.864 GPRESSAVG: 3281600 19.7856 -23.7281 15.0392 -20.2672 -29.1174 4.90033 16.0324 3.562 14.2307 TIMING: 3281600 CPU: 10370.6, 0.00313854/step Wall: 10370.6, 0.00313854/step, 1.49813 hours remaining, 238.613281 MB of memory in use. ENERGY: 3281600 4095.8002 20509.1024 14512.0058 241.8456 -203512.0837 2653.0406 0.0000 0.0000 51910.1302 -109590.1588 298.3282 -161500.2891 -109235.0153 299.1671 -295.5132 -265.7602 763188.4256 1.5621 1.6330 PRESSURE: 3281800 210.82 -123.863 60.4308 -123.864 -159.647 104.077 60.4312 104.076 -402.422 GPRESSURE: 3281800 179.882 -1.30148 -33.3918 -209.536 -129.983 87.0894 -8.77213 102.098 -321.998 PRESSAVG: 3281800 12.0791 -62.1897 -17.1887 -62.1896 -32.6532 -30.2357 -17.1886 -30.2356 -22.2152 GPRESSAVG: 3281800 12.0017 -61.2624 -16.394 -65.1135 -32.2019 -31.7554 -18.4491 -29.4582 -22.5442 TIMING: 3281800 CPU: 10371.3, 0.00314424/step Wall: 10371.3, 0.00314424/step, 1.50067 hours remaining, 238.613281 MB of memory in use. ENERGY: 3281800 4026.4771 20380.6831 14522.8009 254.0293 -203544.4109 2819.8031 0.0000 0.0000 52005.7118 -109534.9054 298.8775 -161540.6173 -109176.3502 298.8355 -117.0831 -90.6998 761804.2028 -14.2631 -14.2481 PRESSURE: 3282000 207.703 -59.7627 204.974 -59.7616 36.1681 6.87965 204.974 6.87951 -113.466 GPRESSURE: 3282000 145.789 -58.0583 286.921 -16.2701 192.134 -12.9585 154.146 0.914126 -116.543 PRESSAVG: 3282000 -8.18374 -80.2903 10.7664 -80.2903 -0.601302 12.2948 10.7665 12.2947 2.09653 GPRESSAVG: 3282000 -7.32079 -77.6789 9.52379 -79.3277 -0.541546 12.767 12.5136 11.4539 1.32816 TIMING: 3282000 CPU: 10371.9, 0.00316338/step Wall: 10371.9, 0.00316338/step, 1.50963 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3282000 3937.2063 20341.8890 14583.7826 257.2222 -203501.7267 2671.5059 0.0000 0.0000 52140.3310 -109569.7898 299.6512 -161710.1207 -109211.1505 298.6911 43.4682 73.7933 762432.8085 -2.2295 -2.1781 PRESSURE: 3282200 104.709 -54.0773 -46.9495 -54.0767 -271.645 91.0803 -46.9498 91.0792 83.3481 GPRESSURE: 3282200 147.33 2.57673 -35.9438 -175.159 -163.597 50.0431 -125.713 -18.2468 -7.80718 PRESSAVG: 3282200 40.2008 -6.10784 -1.47599 -6.10779 -1.11509 -19.6659 -1.47597 -19.6661 -4.6131 GPRESSAVG: 3282200 39.2593 -6.92004 -0.0943233 -4.87582 -1.60126 -19.7661 -2.34882 -18.1053 -3.37975 TIMING: 3282200 CPU: 10372.5, 0.00314638/step Wall: 10372.5, 0.00314638/step, 1.50135 hours remaining, 238.613281 MB of memory in use. ENERGY: 3282200 3924.3058 20525.7471 14413.8847 249.0134 -203636.0548 2791.9357 0.0000 0.0000 52147.7154 -109583.4528 299.6936 -161731.1682 -109225.2654 298.7197 -27.8626 -8.0247 763792.9030 11.4909 11.4261 PRESSURE: 3282400 -605.099 -54.6114 243.764 -54.6117 -390.201 -33.6779 243.764 -33.678 -329.377 GPRESSURE: 3282400 -482.886 -85.809 252.117 -82.8417 -426.494 -174.799 262.226 -39.8565 -337.396 PRESSAVG: 3282400 -1.30668 -58.0541 25.314 -58.054 44.2547 -10.2223 25.314 -10.2223 8.57672 GPRESSAVG: 3282400 -0.369221 -58.4676 24.5478 -59.1677 43.8481 -11.1594 26.3604 -12.1959 8.37063 TIMING: 3282400 CPU: 10373.1, 0.00312674/step Wall: 10373.1, 0.00312674/step, 1.4918 hours remaining, 238.613281 MB of memory in use. ENERGY: 3282400 4017.2663 20496.7537 14417.1716 242.1626 -203056.3117 2318.1473 0.0000 0.0000 51906.4775 -109658.3327 298.3072 -161564.8102 -109291.9918 298.6920 -441.5586 -415.5920 762978.9269 17.1749 17.2832 PRESSURE: 3282600 29.1847 -2.84921 -21.3957 -2.84948 -23.3021 133.712 -21.3948 133.713 -83.1776 GPRESSURE: 3282600 21.1835 -169.157 -22.0717 -13.1473 -20.8131 241.11 -57.0238 152.569 1.27582 PRESSAVG: 3282600 -23.8445 -68.4354 39.9439 -68.4354 46.6992 -33.6444 39.944 -33.6444 -10.38 GPRESSAVG: 3282600 -24.1429 -69.3533 39.1542 -67.8622 47.3263 -32.0713 41.3994 -32.0806 -10.6429 TIMING: 3282600 CPU: 10373.8, 0.00313811/step Wall: 10373.8, 0.00313811/step, 1.49705 hours remaining, 238.613281 MB of memory in use. ENERGY: 3282600 3982.1953 20271.1818 14420.8851 230.3537 -202996.4250 2417.9335 0.0000 0.0000 52044.5916 -109629.2839 299.1010 -161673.8756 -109268.0169 298.5296 -25.7650 0.5487 763819.6281 4.1583 4.1802 PRESSURE: 3282800 -44.8929 110.098 -20.8841 110.099 -381.851 -15.5971 -20.8835 -15.5961 -96.3552 GPRESSURE: 3282800 -72.5357 -112.659 -78.3158 36.8872 -292.993 57.37 29.4552 101.53 -76.6131 PRESSAVG: 3282800 21.5906 -58.0054 -20.9293 -58.0054 1.25042 -5.53717 -20.9293 -5.53707 2.64849 GPRESSAVG: 3282800 21.2109 -57.7569 -21.7826 -59.6294 0.899311 -5.03065 -19.5479 -6.30067 3.37899 TIMING: 3282800 CPU: 10374.4, 0.00314157/step Wall: 10374.4, 0.00314157/step, 1.49853 hours remaining, 238.613281 MB of memory in use. ENERGY: 3282800 3900.8175 20365.6570 14477.1651 241.5174 -203350.3140 2525.1460 0.0000 0.0000 51945.6278 -109894.3831 298.5322 -161840.0110 -109534.6189 298.1140 -174.3663 -147.3805 762234.7108 8.4965 8.4964 PRESSURE: 3283000 141.097 40.4923 -39.6069 40.491 13.9526 201.453 -39.6072 201.453 277.532 GPRESSURE: 3283000 213.752 47.5549 8.31151 5.55638 41.5526 102.462 -40.5348 27.0427 256.199 PRESSAVG: 3283000 11.4674 -42.9648 4.32784 -42.9649 -6.3819 -11.2925 4.32784 -11.2925 -6.11965 GPRESSAVG: 3283000 10.2477 -41.5247 5.62518 -41.9108 -6.17454 -12.854 2.09514 -10.9371 -5.51345 TIMING: 3283000 CPU: 10375, 0.00313336/step Wall: 10375, 0.00313336/step, 1.49444 hours remaining, 238.613281 MB of memory in use. ENERGY: 3283000 4015.6706 20465.0916 14430.3485 262.6887 -203032.1988 2467.8833 0.0000 0.0000 51588.3750 -109802.1412 296.4791 -161390.5162 -109460.7809 297.9486 144.1940 170.5014 760982.5598 -0.3447 -0.4801 PRESSURE: 3283200 -19.4131 -101.826 34.0476 -101.827 -78.5576 51.7031 34.0468 51.7034 -125.707 GPRESSURE: 3283200 39.1638 -83.3808 86.612 -149.686 -125.335 113.274 -161.871 -38.36 -54.1693 PRESSAVG: 3283200 3.03099 -43.9217 -10.1859 -43.9217 -18.406 -31.6112 -10.1859 -31.6112 21.9703 GPRESSAVG: 3283200 3.74327 -46.3149 -10.2628 -42.7201 -18.457 -29.2539 -11.1964 -33.4288 21.2008 TIMING: 3283200 CPU: 10375.7, 0.00314443/step Wall: 10375.7, 0.00314443/step, 1.49955 hours remaining, 238.613281 MB of memory in use. ENERGY: 3283200 3906.4441 20412.0591 14445.0822 273.5246 -202811.3924 2273.3583 0.0000 0.0000 51908.7087 -109592.2153 298.3201 -161500.9240 -109230.5659 298.4734 -74.5591 -46.7802 761301.8917 2.1984 2.1623 PRESSURE: 3283400 421.19 7.5173 19.7813 7.51755 -153.249 112.243 19.7811 112.244 -24.4311 GPRESSURE: 3283400 311.377 -58.8629 25.4477 -59.299 -17.6463 34.6369 10.248 269.668 28.12 PRESSAVG: 3283400 74.644 -67.6722 29.5001 -67.6722 -60.5233 -14.6682 29.5002 -14.6681 -17.1677 GPRESSAVG: 3283400 74.0592 -66.7037 29.387 -68.9592 -59.6338 -17.0815 30.1046 -13.7248 -17.6895 TIMING: 3283400 CPU: 10376.3, 0.00313436/step Wall: 10376.3, 0.00313436/step, 1.49457 hours remaining, 238.613281 MB of memory in use. ENERGY: 3283400 4034.4657 20213.5494 14476.2058 240.8166 -203340.1523 2662.0126 0.0000 0.0000 51908.0562 -109805.0460 298.3163 -161713.1022 -109434.3456 298.3743 81.1700 107.2837 762396.7914 -1.0157 -1.0880 PRESSURE: 3283600 407.7 -2.02728 2.28825 -2.02692 228.185 115.706 2.28856 115.706 134.144 GPRESSURE: 3283600 365.379 -3.15261 77.9256 -20.4186 335.201 35.8321 -47.5777 87.1938 158.346 PRESSAVG: 3283600 -5.46407 -79.2631 43.7293 -79.2631 -12.1373 -37.7465 43.7293 -37.7465 -19.3833 GPRESSAVG: 3283600 -4.4342 -80.4998 43.672 -79.5946 -13.5564 -35.8677 43.2216 -37.71 -19.2723 TIMING: 3283600 CPU: 10376.9, 0.00314875/step Wall: 10376.9, 0.00314875/step, 1.50125 hours remaining, 238.613281 MB of memory in use. ENERGY: 3283600 3980.5701 20486.7891 14415.9894 234.2141 -203654.4949 2811.2639 0.0000 0.0000 51804.8951 -109920.7730 297.7234 -161725.6681 -109558.5479 298.0083 256.6763 286.3086 760250.5969 -12.3282 -12.4210 PRESSURE: 3283800 144.041 30.7563 82.4518 30.7567 301.825 120.355 82.4514 120.355 -523.432 GPRESSURE: 3283800 171.494 174.087 74.5366 158.312 332.677 179.759 -48.0426 69.9862 -481.344 PRESSAVG: 3283800 49.5757 17.7988 -22.7187 17.7988 -19.77 -50.706 -22.7187 -50.7059 -12.3655 GPRESSAVG: 3283800 48.6943 19.9116 -24.2224 18.9448 -19.6008 -51.9765 -20.4766 -49.8493 -11.5872 TIMING: 3283800 CPU: 10377.5, 0.00315625/step Wall: 10377.5, 0.00315625/step, 1.50465 hours remaining, 238.613281 MB of memory in use. ENERGY: 3283800 3990.0179 20367.6633 14449.2657 243.6483 -203563.7862 2675.2361 0.0000 0.0000 52071.8044 -109766.1504 299.2574 -161837.9548 -109409.2899 298.1273 -25.8555 7.6090 760357.0889 5.8134 5.8355 PRESSURE: 3284000 -35.1006 -133.643 -52.9139 -133.643 -83.7523 -79.2865 -52.9139 -79.2856 256.658 GPRESSURE: 3284000 -146.534 -123.592 -48.4696 -130.482 68.8759 -68.8785 39.9356 -106.489 282.301 PRESSAVG: 3284000 44.6847 -71.943 -0.953644 -71.9429 -22.5685 16.0679 -0.953571 16.0679 -5.03342 GPRESSAVG: 3284000 44.8447 -73.9033 0.766244 -72.8108 -22.321 18.1453 -3.37282 13.7698 -5.24449 TIMING: 3284000 CPU: 10378.2, 0.00315166/step Wall: 10378.2, 0.00315166/step, 1.50229 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3284000 3981.9018 20323.7728 14454.0909 242.4963 -203405.1758 2746.2323 0.0000 0.0000 51983.5069 -109673.1747 298.7499 -161656.6816 -109311.5117 298.9223 45.9351 68.2145 760960.2871 5.6942 5.7597 PRESSURE: 3284200 -48.4697 -285.865 -193.605 -285.865 -225.152 -1.5388 -193.605 -1.53754 -362.249 GPRESSURE: 3284200 -85.3773 -115.281 -206.338 -232.129 -170.467 36.3732 -175.705 52.6022 -304.612 PRESSAVG: 3284200 27.5677 -42.6743 -9.14202 -42.6742 -35.2101 16.6769 -9.142 16.6769 -11.4444 GPRESSAVG: 3284200 28.4669 -37.9593 -8.32141 -44.6547 -34.5251 15.5646 -8.87447 18.9681 -12.4262 TIMING: 3284200 CPU: 10378.8, 0.00314432/step Wall: 10378.8, 0.00314432/step, 1.49862 hours remaining, 238.613281 MB of memory in use. ENERGY: 3284200 4019.0552 20447.5351 14418.7901 228.8622 -203167.6101 2529.3678 0.0000 0.0000 52031.8107 -109492.1890 299.0275 -161523.9997 -109132.0655 299.0619 -211.9571 -186.8188 761934.5283 -6.3622 -6.1615 LDB: ============= START OF LOAD BALANCING ============== 10391.2 LDB: ============== END OF LOAD BALANCING =============== 10391.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10391.2 LDB: ============= START OF LOAD BALANCING ============== 10391.5 LDB: Largest compute 7033 load 0.030783 is 15.7% of average load 0.196041 LDB: Average compute 0.004394 is 2.2% of average load 0.196041 LDB: TIME 10391.5 LOAD: AVG 0.196041 MAX 0.217132 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.48 MB LDB: TIME 10391.5 LOAD: AVG 0.196041 MAX 0.217132 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: TIME 10391.5 LOAD: AVG 0.196041 MAX 0.217132 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: ============== END OF LOAD BALANCING =============== 10391.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10391.5 PRESSURE: 3284400 -209.622 -29.0361 187.73 -29.0358 -298.146 59.475 187.729 59.4755 63.7577 GPRESSURE: 3284400 -190.498 -54.3819 342.434 37.6706 -218.485 8.41469 117.821 -22.4766 31.9667 PRESSAVG: 3284400 29.8451 -2.54122 -12.0075 -2.54118 -31.1461 30.1291 -12.0075 30.1292 -0.665689 GPRESSAVG: 3284400 29.6939 -4.59887 -13.7754 -1.55554 -31.181 29.813 -11.7485 28.4207 -0.6197 TIMING: 3284400 CPU: 10379.4, 0.00319986/step Wall: 10379.4, 0.00319986/step, 1.52491 hours remaining, 238.101562 MB of memory in use. ENERGY: 3284400 4020.6680 20532.2261 14470.6200 229.0958 -203346.7988 2500.2567 0.0000 0.0000 52095.2332 -109498.6989 299.3920 -161593.9322 -109140.6865 299.9143 -148.0034 -125.6719 759406.3811 -0.6556 -0.7023 PRESSURE: 3284600 -164.057 -12.5318 25.6299 -12.5328 -141.538 -92.2601 25.6302 -92.259 341.086 GPRESSURE: 3284600 -157.474 75.1472 167.575 -41.4967 -28.4178 -13.1021 15.9526 2.26272 309.354 PRESSAVG: 3284600 9.10974 -29.9675 67.9596 -29.9675 3.99685 41.6858 67.9596 41.6858 12.6969 GPRESSAVG: 3284600 8.43062 -29.6047 70.0044 -29.1445 3.17116 42.1924 66.4075 42.3805 13.9463 TIMING: 3284600 CPU: 10380.1, 0.00313628/step Wall: 10380.1, 0.00313628/step, 1.49444 hours remaining, 238.101562 MB of memory in use. ENERGY: 3284600 3963.6843 20453.0354 14438.4400 280.5545 -203372.9374 2481.4071 0.0000 0.0000 52211.1220 -109544.6942 300.0580 -161755.8162 -109178.7881 299.5395 11.8303 41.1541 760630.2515 8.6011 8.5160 PRESSURE: 3284800 -111.186 0.250785 -215.121 0.250486 -394.298 84.6953 -215.121 84.6958 -159.717 GPRESSURE: 3284800 -5.90694 -98.706 -206.729 19.0922 -388.369 23.5509 -23.9075 60.831 -178.175 PRESSAVG: 3284800 67.1117 -21.5589 -4.13293 -21.559 -88.2869 3.2133 -4.13285 3.21335 4.07373 GPRESSAVG: 3284800 67.5611 -20.1964 -5.10085 -21.4571 -87.0656 2.30833 -2.74021 3.3975 3.23397 TIMING: 3284800 CPU: 10380.7, 0.00314103/step Wall: 10380.7, 0.00314103/step, 1.49652 hours remaining, 238.101562 MB of memory in use. ENERGY: 3284800 3945.2061 20536.1950 14467.7655 252.6586 -202750.6119 2021.6667 0.0000 0.0000 52011.6864 -109515.4336 298.9119 -161527.1200 -109150.6576 299.0832 -221.7338 -190.8170 761271.0766 -5.7005 -5.4235 PRESSURE: 3285000 67.6237 30.7955 -8.40645 30.7951 25.8494 46.7415 -8.40582 46.7413 62.3185 GPRESSURE: 3285000 78.8453 151.08 -54.0801 -63.3722 70.5943 179.06 -105.78 -0.787766 78.6379 PRESSAVG: 3285000 83.3367 -24.4677 -41.1574 -24.4677 -68.7321 14.3958 -41.1575 14.3957 -0.4252 GPRESSAVG: 3285000 84.4566 -26.3629 -40.8357 -24.6235 -70.1493 14.1683 -42.1502 14.5111 -0.780847 TIMING: 3285000 CPU: 10381.3, 0.00314258/step Wall: 10381.3, 0.00314258/step, 1.49709 hours remaining, 238.101562 MB of memory in use. ENERGY: 3285000 3968.9151 20211.4246 14404.6557 238.8845 -203040.7955 2565.2648 0.0000 0.0000 52140.1779 -109511.4728 299.6503 -161651.6507 -109139.5015 298.8863 51.9305 76.0258 761355.1852 4.7265 4.5088 PRESSURE: 3285200 -39.2753 -94.5959 48.3181 -94.5947 -111.825 90.9775 48.3183 90.9767 -504.802 GPRESSURE: 3285200 45.3091 -144.288 19.6013 -87.6975 -90.6404 122.96 15.3108 9.49733 -541.985 PRESSAVG: 3285200 63.9281 -30.9953 -15.4894 -30.9953 -39.171 83.5422 -15.4894 83.5423 -10.2231 GPRESSAVG: 3285200 62.4319 -32.1052 -15.3359 -32.9141 -38.6256 83.7003 -13.7483 84.3224 -9.40675 TIMING: 3285200 CPU: 10382, 0.00314064/step Wall: 10382, 0.00314064/step, 1.49599 hours remaining, 238.101562 MB of memory in use. ENERGY: 3285200 4047.3213 20426.2279 14439.8892 262.3706 -203094.0723 2462.3360 0.0000 0.0000 51899.5485 -109556.3787 298.2674 -161455.9273 -109191.3982 298.5989 -218.6342 -195.7723 761984.0001 4.8447 4.7998 PRESSURE: 3285400 289.157 69.6029 -30.3585 69.6029 68.797 95.9296 -30.3594 95.9283 -88.3755 GPRESSURE: 3285400 314.561 123.712 -80.3009 81.1326 143.835 55.4028 -48.3869 206.158 -124.289 PRESSAVG: 3285400 30.2702 22.338 -19.0362 22.338 -57.3187 15.2606 -19.0362 15.2606 -3.56482 GPRESSAVG: 3285400 29.9517 23.7674 -20.3802 24.1048 -56.9962 15.7142 -22.6976 14.6537 -3.98651 TIMING: 3285400 CPU: 10382.6, 0.00314868/step Wall: 10382.6, 0.00314868/step, 1.49965 hours remaining, 238.101562 MB of memory in use. ENERGY: 3285400 4004.3990 20415.3086 14425.3933 252.8698 -203417.7366 2811.7200 0.0000 0.0000 52003.1405 -109504.9054 298.8628 -161508.0459 -109143.6642 298.7468 89.8594 111.3688 760414.7734 -10.2044 -10.3437 PRESSURE: 3285600 -350.524 29.8822 -4.36499 29.882 -104.299 109.441 -4.36508 109.441 139.775 GPRESSURE: 3285600 -232.982 -19.2013 -1.81126 -47.4036 -20.3649 73.6069 14.8644 147.196 26.1297 PRESSAVG: 3285600 82.7333 -6.42128 27.3334 -6.42131 -67.9961 15.0161 27.3334 15.0161 -3.93647 GPRESSAVG: 3285600 82.4544 -8.013 28.1345 -8.2444 -68.4299 13.5889 29.0472 17.5747 -3.23223 TIMING: 3285600 CPU: 10383.2, 0.00314453/step Wall: 10383.2, 0.00314453/step, 1.49749 hours remaining, 238.101562 MB of memory in use. ENERGY: 3285600 4050.1258 20632.6955 14477.6919 245.0004 -202972.0274 2309.5105 0.0000 0.0000 51714.1385 -109542.8648 297.2019 -161257.0032 -109184.9145 298.6637 -105.0156 -75.7390 761376.1740 3.6002 3.5974 PRESSURE: 3285800 83.4777 -45.357 -36.1962 -45.3562 -381.208 180.551 -36.1958 180.55 -115.777 GPRESSURE: 3285800 25.1987 26.5695 -34.574 -35.3691 -303.168 184.774 -72.7556 141.05 -78.1022 PRESSAVG: 3285800 -13.1056 38.9902 -2.77247 38.9902 -12.8616 -5.8915 -2.77244 -5.89156 -21.6186 GPRESSAVG: 3285800 -13.114 40.3908 -3.62198 38.9947 -11.3998 -3.69215 -1.32596 -8.55726 -22.7952 TIMING: 3285800 CPU: 10383.8, 0.00314915/step Wall: 10383.8, 0.00314915/step, 1.49952 hours remaining, 238.101562 MB of memory in use. ENERGY: 3285800 4001.6129 20392.3908 14461.8187 240.2247 -203018.9129 2454.7668 0.0000 0.0000 51805.0997 -109662.9993 297.7246 -161468.0990 -109302.0150 298.8317 -137.8357 -118.6906 763431.5242 -15.8619 -15.7697 PRESSURE: 3286000 121.956 138.195 4.62767 138.195 -324.978 278.597 4.62782 278.596 -192.305 GPRESSURE: 3286000 189.59 137.134 -125.461 89.9084 -349.657 236.866 139.088 184.78 -156.513 PRESSAVG: 3286000 65.8532 25.8058 -31.3803 25.8057 -20.5866 28.6419 -31.3803 28.6419 -9.82344 GPRESSAVG: 3286000 65.5266 26.1379 -31.9013 27.0994 -21.4779 28.314 -31.7187 27.8735 -9.23005 TIMING: 3286000 CPU: 10384.5, 0.00315597/step Wall: 10384.5, 0.00315597/step, 1.50259 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3286000 3948.7221 20503.2827 14432.4224 247.5124 -203468.0583 2682.4470 0.0000 0.0000 52087.9932 -109565.6786 299.3504 -161653.6717 -109202.0813 298.6052 -131.7757 -105.5267 762513.0269 11.8144 11.6062 PRESSURE: 3286200 -193.917 -114.677 170.432 -114.676 -115.37 -326.985 170.43 -326.985 -499.076 GPRESSURE: 3286200 -172.255 -109.021 158.783 -151.709 -99.3905 -267.798 140.659 -298.572 -447.849 PRESSAVG: 3286200 29.195 26.2918 -45.7445 26.2919 -71.6356 -46.197 -45.7445 -46.1969 -3.13938 GPRESSAVG: 3286200 29.6858 27.1846 -45.2702 26.3782 -72.0771 -47.6189 -46.9111 -45.397 -3.41996 TIMING: 3286200 CPU: 10385.1, 0.0031368/step Wall: 10385.1, 0.0031368/step, 1.49329 hours remaining, 238.101562 MB of memory in use. ENERGY: 3286200 3958.3567 20430.8504 14398.1929 240.5009 -203256.1365 2452.9385 0.0000 0.0000 52183.7715 -109591.5256 299.9009 -161775.2971 -109221.0512 298.6218 -269.4544 -239.8315 761899.8654 -15.1933 -15.2704 PRESSURE: 3286400 18.1567 -105.617 21.7262 -105.616 101.195 -165.943 21.7266 -165.944 19.921 GPRESSURE: 3286400 -50.4762 -134.93 46.4269 -165.113 169.218 -96.583 89.0686 17.0833 91.7619 PRESSAVG: 3286400 17.7351 -13.3285 -37.8384 -13.3285 -66.9817 -65.468 -37.8384 -65.4681 -11.6065 GPRESSAVG: 3286400 16.1152 -15.6505 -38.975 -13.9271 -66.1685 -66.0729 -36.4557 -64.7059 -12.2923 TIMING: 3286400 CPU: 10385.7, 0.00315015/step Wall: 10385.7, 0.00315015/step, 1.49947 hours remaining, 238.101562 MB of memory in use. ENERGY: 3286400 4023.7584 20459.5451 14418.6717 257.2854 -203213.1525 2505.7488 0.0000 0.0000 52155.7330 -109392.4100 299.7397 -161548.1430 -109028.2958 298.7986 46.4241 70.1680 761456.2898 -20.2844 -20.7819 PRESSURE: 3286600 208.931 40.3034 71.7992 40.3039 -46.932 96.0806 71.7987 96.0798 275.665 GPRESSURE: 3286600 410.797 124.488 40.9781 103.254 -56.1922 25.2491 150.422 135.69 172.572 PRESSAVG: 3286600 30.5624 -34.0409 47.7405 -34.0409 -49.4657 -9.6621 47.7405 -9.66211 -3.11867 GPRESSAVG: 3286600 32.0335 -33.8043 49.0465 -33.6256 -51.9577 -7.73644 47.3158 -8.02045 -1.77878 TIMING: 3286600 CPU: 10386.4, 0.00315345/step Wall: 10386.4, 0.00315345/step, 1.50087 hours remaining, 238.101562 MB of memory in use. ENERGY: 3286600 4015.8172 20506.6723 14439.4727 248.5292 -203497.9587 2766.0291 0.0000 0.0000 52114.1226 -109407.3157 299.5006 -161521.4383 -109046.9569 299.1650 145.8880 175.7257 761422.7891 -7.3407 -7.2343 PRESSURE: 3286800 -129.654 36.9714 -145.859 36.9709 -72.6643 34.0115 -145.859 34.0119 -130.242 GPRESSURE: 3286800 -93.3986 -26.9704 -160.853 64.7429 -57.0826 11.5148 -82.0807 13.2095 -104.259 PRESSAVG: 3286800 82.4943 -17.6012 41.0298 -17.6012 -20.9898 20.1253 41.0298 20.1252 -9.82872 GPRESSAVG: 3286800 82.0593 -17.9698 43.1433 -17.667 -19.3257 19.1705 41.6939 20.2496 -10.9917 TIMING: 3286800 CPU: 10387, 0.00316813/step Wall: 10387, 0.00316813/step, 1.50768 hours remaining, 238.101562 MB of memory in use. ENERGY: 3286800 4002.3860 20437.3549 14386.4653 267.7927 -203009.7327 2312.1068 0.0000 0.0000 52045.6087 -109558.0182 299.1068 -161603.6269 -109193.9190 298.8828 -110.8535 -84.9134 763349.7245 17.2253 17.2473 PRESSURE: 3287000 261.039 251.437 7.27088 251.437 -27.6671 -104.869 7.27085 -104.87 266.14 GPRESSURE: 3287000 281.506 191.752 18.362 166.602 -80.7777 -94.2956 -190.258 -117.068 374.061 PRESSAVG: 3287000 25.5543 -1.33687 -27.1201 -1.33687 -50.4496 17.3858 -27.1201 17.3858 6.25042 GPRESSAVG: 3287000 25.194 -0.218665 -28.2724 -1.70468 -50.7893 17.9618 -28.4809 14.9693 6.44457 TIMING: 3287000 CPU: 10387.6, 0.0031307/step Wall: 10387.6, 0.0031307/step, 1.48969 hours remaining, 238.101562 MB of memory in use. ENERGY: 3287000 4006.2320 20476.8326 14513.5685 249.9569 -203769.1505 3058.6392 0.0000 0.0000 51984.3438 -109479.5774 298.7547 -161463.9212 -109129.7427 299.0485 166.5039 191.5965 761707.8510 -6.2149 -6.3835 PRESSURE: 3287200 -335.301 126.107 225.798 126.108 256.852 170.171 225.798 170.171 223.328 GPRESSURE: 3287200 -167.213 140.24 236.367 210.164 173.171 208.682 80.3871 158.253 232.565 PRESSAVG: 3287200 3.82718 34.8134 -26.7196 34.8134 -6.3297 -19.7296 -26.7196 -19.7297 11.7607 GPRESSAVG: 3287200 5.45667 34.5479 -27.0439 36.6928 -6.7923 -18.8953 -25.4719 -20.6132 11.3817 TIMING: 3287200 CPU: 10388.3, 0.00316096/step Wall: 10388.3, 0.00316096/step, 1.50392 hours remaining, 238.101562 MB of memory in use. ENERGY: 3287200 3939.5297 20385.6842 14412.7754 237.0336 -203661.1910 3011.7177 0.0000 0.0000 52252.4953 -109421.9552 300.2958 -161674.4505 -109058.8165 299.2488 48.2930 79.5075 763321.0107 3.0861 3.3487 PRESSURE: 3287400 -450.23 18.4954 121.311 18.4964 -295.869 232.25 121.311 232.25 -599.414 GPRESSURE: 3287400 -412.818 51.3378 -0.829132 48.9026 -242.473 248.114 132.841 125.707 -607.526 PRESSAVG: 3287400 15.6025 1.23354 21.4267 1.23353 26.213 -1.72955 21.4268 -1.72954 -22.2446 GPRESSAVG: 3287400 14.02 2.93341 19.8988 -1.19577 26.5236 -2.11365 19.5345 -0.112463 -21.264 TIMING: 3287400 CPU: 10388.9, 0.00315842/step Wall: 10388.9, 0.00315842/step, 1.50253 hours remaining, 238.101562 MB of memory in use. ENERGY: 3287400 4007.5355 20282.2794 14409.3210 253.5111 -203057.4742 2506.6936 0.0000 0.0000 51934.6894 -109663.4444 298.4694 -161598.1338 -109287.9580 298.5449 -448.5045 -420.9389 763173.8048 6.5236 6.4265 PRESSURE: 3287600 -175.892 140.68 -196.192 140.68 -259.18 -119.331 -196.193 -119.33 -439.321 GPRESSURE: 3287600 -123.581 120.563 -178.021 35.8156 -198.15 -56.9648 -95.9462 -142.649 -461.787 PRESSAVG: 3287600 10.2563 -1.26972 -44.8618 -1.26971 -18.3384 -16.0452 -44.8619 -16.0451 -4.53625 GPRESSAVG: 3287600 11.4181 -3.94519 -42.1395 -0.353032 -19.4716 -17.147 -42.7868 -16.529 -4.58546 TIMING: 3287600 CPU: 10389.5, 0.00315612/step Wall: 10389.5, 0.00315612/step, 1.50126 hours remaining, 238.101562 MB of memory in use. ENERGY: 3287600 3962.6713 20506.3804 14434.1261 232.7115 -203073.0680 2558.9328 0.0000 0.0000 51900.0775 -109478.1683 298.2705 -161378.2458 -109122.3281 299.0727 -291.4643 -261.1728 762883.4167 -4.2061 -4.2130 PRESSURE: 3287800 82.6398 163.433 211.297 163.433 48.4624 -137.399 211.297 -137.398 284.836 GPRESSURE: 3287800 102.158 85.7956 237.851 116.403 37.8898 -110.772 155.306 -83.5866 347.453 PRESSAVG: 3287800 14.3747 67.4968 21.9144 67.4968 -27.6126 46.2922 21.9144 46.2923 -17.3106 GPRESSAVG: 3287800 14.8954 68.4992 20.6654 66.9137 -28.3784 47.017 21.9529 45.9996 -17.6347 TIMING: 3287800 CPU: 10390.1, 0.00315042/step Wall: 10390.1, 0.00315042/step, 1.49838 hours remaining, 238.101562 MB of memory in use. ENERGY: 3287800 3967.6880 20419.8251 14432.0434 244.7754 -203422.6192 2855.2179 0.0000 0.0000 51988.5538 -109514.5157 298.7789 -161503.0695 -109168.2218 298.9007 138.6462 162.5003 762200.1250 -10.1829 -10.3726 PRESSURE: 3288000 -68.1108 44.8461 -134.601 44.8468 -0.00860417 -11.3923 -134.602 -11.3925 -297.495 GPRESSURE: 3288000 -92.0877 10.4836 -91.2675 90.2664 79.7284 -28.0752 -67.1218 60.0013 -279.614 PRESSAVG: 3288000 -4.43353 3.14938 11.0501 3.14931 -64.7127 9.53793 11.05 9.53787 2.83678 GPRESSAVG: 3288000 -5.90155 3.1904 10.85 3.31882 -63.5429 8.74452 9.86994 10.3805 2.8504 TIMING: 3288000 CPU: 10390.8, 0.00317366/step Wall: 10390.8, 0.00317366/step, 1.50925 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3288000 4000.8307 20398.6268 14517.4447 256.3333 -203402.0215 2670.5199 0.0000 0.0000 52100.3753 -109457.8908 299.4216 -161558.2662 -109098.2994 299.1550 -121.8715 -97.3246 763229.8990 -22.1032 -22.1980 PRESSURE: 3288200 -285.418 -99.681 -84.1163 -99.6812 -267.262 -6.31547 -84.1168 -6.31402 -23.2605 GPRESSURE: 3288200 -299.061 -96.1108 76.5988 -122.768 -148.99 39.3703 -150.656 -174.961 -51.9011 PRESSAVG: 3288200 22.6508 34.0654 23.9876 34.0654 -84.5398 17.007 23.9877 17.007 -6.3087 GPRESSAVG: 3288200 22.3464 36.3201 24.8542 34.6618 -84.3405 18.2128 25.4999 16.2484 -5.65532 TIMING: 3288200 CPU: 10391.4, 0.00316465/step Wall: 10391.4, 0.00316465/step, 1.50479 hours remaining, 238.101562 MB of memory in use. ENERGY: 3288200 3973.2100 20480.8286 14448.6059 258.2843 -202941.9446 2286.6555 0.0000 0.0000 52171.9597 -109322.4006 299.8330 -161494.3603 -108958.1848 299.2354 -191.9803 -166.6506 764326.6806 -22.7326 -22.5498 LDB: ============= START OF LOAD BALANCING ============== 10403.8 LDB: ============== END OF LOAD BALANCING =============== 10403.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10403.8 LDB: ============= START OF LOAD BALANCING ============== 10404.1 LDB: Largest compute 7069 load 0.032125 is 16.4% of average load 0.196083 LDB: Average compute 0.004381 is 2.2% of average load 0.196083 LDB: TIME 10404.1 LOAD: AVG 0.196083 MAX 0.213737 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.48 MB LDB: TIME 10404.1 LOAD: AVG 0.196083 MAX 0.213737 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.48 MB LDB: TIME 10404.1 LOAD: AVG 0.196083 MAX 0.213737 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.48 MB LDB: ============== END OF LOAD BALANCING =============== 10404.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10404.1 PRESSURE: 3288400 -146.52 -20.9347 72.9778 -20.9334 -176.461 -63.05 72.9774 -63.0498 -408.488 GPRESSURE: 3288400 -53.0175 -81.3637 77.063 -82.4606 -189.653 -49.9911 -1.29699 -133.03 -391.199 PRESSAVG: 3288400 -4.33951 -2.46159 -45.8765 -2.46158 -8.17815 0.470239 -45.8765 0.470228 -5.16354 GPRESSAVG: 3288400 -4.59301 -4.67724 -45.6816 -2.89298 -8.5207 -0.842175 -48.5081 1.76514 -5.20488 TIMING: 3288400 CPU: 10392.1, 0.00325817/step Wall: 10392.1, 0.00325817/step, 1.54908 hours remaining, 238.921875 MB of memory in use. ENERGY: 3288400 3995.7091 20387.3287 14394.4452 261.4067 -202981.0547 2483.6905 0.0000 0.0000 52340.1527 -109118.3217 300.7996 -161458.4744 -108754.3887 299.2232 -243.8233 -211.2898 763342.3289 -5.8937 -6.1062 PRESSURE: 3288600 -99.1806 86.6722 113.44 86.6728 -203.254 -128.684 113.44 -128.683 -17.6064 GPRESSURE: 3288600 -100.323 51.7222 52.7345 52.1257 -49.8409 -188.888 159.589 71.0174 -62.8801 PRESSAVG: 3288600 32.6205 -16.6269 -7.02571 -16.6268 -38.7727 34.0952 -7.02573 34.0952 -23.7469 GPRESSAVG: 3288600 32.4754 -17.3334 -8.9747 -16.3251 -38.4435 35.0053 -5.12986 32.8343 -24.2233 TIMING: 3288600 CPU: 10392.7, 0.00318441/step Wall: 10392.7, 0.00318441/step, 1.51384 hours remaining, 238.921875 MB of memory in use. ENERGY: 3288600 3955.5525 20529.3229 14450.2881 249.9298 -203030.0887 2683.1073 0.0000 0.0000 52164.4052 -108997.4827 299.7896 -161161.8879 -108636.5080 299.6824 -106.6805 -71.0145 763236.3245 -9.9664 -10.0638 PRESSURE: 3288800 -275.333 -31.8327 -197.946 -31.8314 110.605 131.947 -197.946 131.945 -2.88437 GPRESSURE: 3288800 -180.6 -99.6949 -146.277 -67.6551 80.5365 136.664 -110.658 252.563 7.92114 PRESSAVG: 3288800 -37.1105 -3.33772 10.0059 -3.33779 19.2302 31.2207 10.0058 31.2208 -3.77189 GPRESSAVG: 3288800 -37.9276 -1.94159 11.2255 -3.65913 18.9141 30.536 9.78295 31.5842 -2.96908 TIMING: 3288800 CPU: 10393.3, 0.00317813/step Wall: 10393.3, 0.00317813/step, 1.51067 hours remaining, 238.921875 MB of memory in use. ENERGY: 3288800 4006.1511 20582.5774 14420.7404 239.6710 -203018.5151 2617.6736 0.0000 0.0000 52088.1380 -109063.5636 299.3512 -161151.7016 -108708.5369 300.0060 -55.8707 -30.7140 764081.1729 -7.2174 -7.3275 PRESSURE: 3289000 57.4163 67.3033 -36.2572 67.3023 115.676 -40.6129 -36.2573 -40.6129 289.584 GPRESSURE: 3289000 91.4912 20.7158 -44.3982 30.948 147.895 -97.9498 -41.5897 32.7574 267.558 PRESSAVG: 3289000 34.6246 -40.2781 -15.6905 -40.2781 -3.81558 -53.4469 -15.6904 -53.4469 29.9628 GPRESSAVG: 3289000 36.0721 -38.783 -17.3285 -39.7337 -4.83927 -52.6533 -14.7627 -53.1548 29.812 TIMING: 3289000 CPU: 10394, 0.00316422/step Wall: 10394, 0.00316422/step, 1.50388 hours remaining, 238.921875 MB of memory in use. ENERGY: 3289000 3968.4498 20548.7312 14445.5258 241.5240 -202810.6220 2333.6164 0.0000 0.0000 52234.0639 -109038.7109 300.1899 -161272.7748 -108678.6694 300.1998 154.2257 168.9814 762988.9673 20.2573 20.3483 PRESSURE: 3289200 -238.646 175.555 -107.387 175.554 23.9072 32.5186 -107.387 32.519 217.575 GPRESSURE: 3289200 -8.57258 141.931 -143.906 131.47 -27.6097 18.0307 56.5015 -166.485 143.828 PRESSAVG: 3289200 2.13436 32.0981 -9.46204 32.0981 -22.6803 6.36564 -9.46207 6.36556 -22.721 GPRESSAVG: 3289200 2.53196 30.6015 -8.09647 31.6012 -22.0479 5.31808 -10.0208 4.27014 -23.2505 TIMING: 3289200 CPU: 10394.6, 0.00314336/step Wall: 10394.6, 0.00314336/step, 1.49379 hours remaining, 238.921875 MB of memory in use. ENERGY: 3289200 3999.2137 20465.3817 14502.6105 250.5967 -202726.4078 2356.3674 0.0000 0.0000 52093.0238 -109059.2140 299.3793 -161152.2378 -108689.0466 300.0917 0.9454 35.8819 762625.7442 -14.4223 -14.2555 PRESSURE: 3289400 -28.7672 -143.573 204.299 -143.573 240.079 -272.789 204.299 -272.788 -286.158 GPRESSURE: 3289400 13.2828 -126.407 162.124 34.1208 168.479 -294.231 178.381 -180.002 -165.763 PRESSAVG: 3289400 59.4402 -10.0236 -1.74204 -10.0237 -30.4792 -75.663 -1.74206 -75.663 -9.13461 GPRESSAVG: 3289400 59.8224 -9.60119 -1.92189 -7.4003 -30.6097 -76.2684 -2.88435 -74.7246 -8.35585 TIMING: 3289400 CPU: 10395.2, 0.00314993/step Wall: 10395.2, 0.00314993/step, 1.49674 hours remaining, 238.921875 MB of memory in use. ENERGY: 3289400 3872.9270 20670.3273 14467.8534 243.8509 -202742.0308 2354.7455 0.0000 0.0000 52172.7636 -108959.5629 299.8376 -161132.3265 -108602.7091 300.0511 -24.9487 5.3329 761576.2624 6.6088 6.9523 PRESSURE: 3289600 -147.775 102.204 42.8944 102.204 -152.296 -3.84274 42.8944 -3.8437 -30.9262 GPRESSURE: 3289600 -155.11 19.1014 60.2289 158.499 -84.0985 -88.4997 -35.1875 71.9831 -37.9423 PRESSAVG: 3289600 -21.185 45.1154 8.91813 45.1155 59.859 -16.0754 8.91808 -16.0755 -9.08304 GPRESSAVG: 3289600 -21.9857 45.4458 10.1285 42.9185 61.1072 -16.3144 8.28899 -13.2215 -9.21916 TIMING: 3289600 CPU: 10395.9, 0.00314807/step Wall: 10395.9, 0.00314807/step, 1.49568 hours remaining, 238.921875 MB of memory in use. ENERGY: 3289600 3963.3573 20884.5564 14432.5595 232.0557 -202974.8711 2447.7425 0.0000 0.0000 52193.5955 -108821.0041 299.9573 -161014.5996 -108467.9262 300.1957 -110.3323 -92.3836 763274.0919 9.8636 9.9675 PRESSURE: 3289800 -39.3423 -70.5088 -46.7346 -70.5091 -117.045 242.44 -46.7348 242.441 -203.454 GPRESSURE: 3289800 17.8504 -154.693 -6.46929 -36.0994 -45.3377 241.288 -46.9182 144.292 -259.354 PRESSAVG: 3289800 -16.9881 -21.575 -29.0171 -21.575 -22.5465 -14.8056 -29.0171 -14.8057 3.90521 GPRESSAVG: 3289800 -17.0081 -23.8446 -29.5255 -24.1669 -23.5971 -13.014 -29.7538 -18.7349 5.47232 TIMING: 3289800 CPU: 10396.5, 0.00315325/step Wall: 10396.5, 0.00315325/step, 1.49797 hours remaining, 238.921875 MB of memory in use. ENERGY: 3289800 3991.6829 20603.2001 14446.3353 251.1864 -202861.1743 2372.4381 0.0000 0.0000 51969.5442 -109226.7873 298.6697 -161196.3315 -108867.4789 299.8945 -119.9473 -95.6137 763252.1652 -11.8765 -11.7110 PRESSURE: 3290000 -196.158 -55.1449 -240.863 -55.1456 -73.0727 104.68 -240.863 104.68 175.249 GPRESSURE: 3290000 -78.1009 70.7937 -241.602 -47.2056 -35.4872 179.932 -338.694 232.104 102.776 PRESSAVG: 3290000 16.0517 -39.1179 -18.8773 -39.1179 -5.80052 -22.9405 -18.8773 -22.9404 -5.84804 GPRESSAVG: 3290000 16.0115 -37.6234 -17.3028 -37.645 -5.14532 -22.2551 -19.5307 -22.3185 -7.52721 TIMING: 3290000 CPU: 10397.1, 0.00316339/step Wall: 10397.1, 0.00316339/step, 1.50261 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3290000 3981.8379 20574.3752 14463.0660 253.9474 -202793.2705 2245.1657 0.0000 0.0000 52104.5846 -109170.2937 299.4458 -161274.8783 -108806.3285 299.8258 -31.3273 -3.6039 762574.2573 1.4677 1.1130 PRESSURE: 3290200 75.9954 -119.668 256.814 -119.668 -463.382 -81.6062 256.815 -81.6069 -105.163 GPRESSURE: 3290200 44.7981 -173.207 171.535 30.9563 -394.424 -107.896 238.162 -113.021 -53.8688 PRESSAVG: 3290200 45.3539 -24.6201 37.6432 -24.6202 -34.0876 -2.4385 37.6431 -2.43855 -6.94375 GPRESSAVG: 3290200 44.9177 -25.589 36.0011 -23.5456 -33.0118 -4.43735 37.2023 -0.154346 -6.8618 TIMING: 3290200 CPU: 10397.8, 0.00317351/step Wall: 10397.8, 0.00317351/step, 1.50724 hours remaining, 238.921875 MB of memory in use. ENERGY: 3290200 4042.5666 20531.7004 14333.9903 253.6480 -202892.8310 2422.3728 0.0000 0.0000 52214.3774 -109094.1756 300.0767 -161308.5530 -108745.3236 299.5468 -164.1832 -134.4981 763194.4645 1.4408 1.6814 PRESSURE: 3290400 -377.979 201.767 -160.323 201.766 239.004 -24.148 -160.324 -24.1484 11.2681 GPRESSURE: 3290400 -255.495 212.569 -154.218 224.606 265.452 -87.7477 -176.409 81.1184 -38.1715 PRESSAVG: 3290400 -15.3678 -1.48795 -1.79048 -1.48793 14.3946 -77.3846 -1.79054 -77.3846 11.3222 GPRESSAVG: 3290400 -14.3783 -3.63599 -1.6387 -2.0667 13.1233 -75.17 1.70015 -77.2959 11.491 TIMING: 3290400 CPU: 10398.4, 0.00315664/step Wall: 10398.4, 0.00315664/step, 1.49905 hours remaining, 238.921875 MB of memory in use. ENERGY: 3290400 3961.8280 20501.5198 14414.9350 261.5840 -203333.7122 2793.6758 0.0000 0.0000 52308.5487 -109091.6209 300.6179 -161400.1695 -108739.9040 299.6915 -42.5687 -9.4048 761361.9556 3.4496 3.4120 PRESSURE: 3290600 -325.07 200.267 177.707 200.266 -95.561 41.8825 177.706 41.8815 -270.093 GPRESSURE: 3290600 -268.846 83.3814 163.662 180.644 -109.301 37.0799 28.1055 -23.3016 -226.063 PRESSAVG: 3290600 17.0675 28.7938 -11.8788 28.7939 18.8316 -19.6347 -11.8788 -19.6347 -5.6382 GPRESSAVG: 3290600 15.4847 29.3939 -13.0366 28.6941 19.2694 -21.9325 -13.0918 -19.2946 -4.47583 TIMING: 3290600 CPU: 10399, 0.00316579/step Wall: 10399, 0.00316579/step, 1.50322 hours remaining, 238.921875 MB of memory in use. ENERGY: 3290600 4004.0710 20528.5089 14453.6799 229.6795 -203010.4095 2337.7692 0.0000 0.0000 52401.6326 -109055.0685 301.1529 -161456.7010 -108686.3454 299.9711 -230.2416 -201.4032 762684.8894 10.0870 10.0928 PRESSURE: 3290800 -45.4464 -15.3187 -4.24847 -15.3196 50.1064 153.709 -4.24776 153.71 253.659 GPRESSURE: 3290800 2.77824 -15.9405 -32.605 -25.8661 97.2497 115.668 19.327 69.8486 235.034 PRESSAVG: 3290800 -14.4665 6.03006 48.2051 6.03004 -4.25126 6.57284 48.2051 6.57277 -19.7538 GPRESSAVG: 3290800 -14.6584 8.52159 49.7617 5.94822 -4.49086 6.43883 47.11 6.86791 -19.6873 TIMING: 3290800 CPU: 10399.7, 0.00317322/step Wall: 10399.7, 0.00317322/step, 1.50657 hours remaining, 238.921875 MB of memory in use. ENERGY: 3290800 3929.4607 20452.7264 14450.2681 252.5434 -203161.5479 2729.6242 0.0000 0.0000 52016.9907 -109329.9344 298.9424 -161346.9251 -108970.6396 299.4998 86.1064 111.6872 762873.1293 -12.8239 -12.9455 PRESSURE: 3291000 299.76 -200.179 83.7445 -200.18 -141.915 -171.808 83.7447 -171.808 -401.235 GPRESSURE: 3291000 317.193 -144.214 87.7467 -29.6066 -153.853 -161.846 70.3236 -94.6774 -315.841 PRESSAVG: 3291000 10.6887 -7.85082 14.2988 -7.85086 -7.81889 -69.3893 14.2988 -69.3894 -4.71867 GPRESSAVG: 3291000 11.264 -7.56726 14.5944 -7.60389 -7.24749 -68.9456 13.4612 -71.8991 -5.58368 TIMING: 3291000 CPU: 10400.3, 0.00319917/step Wall: 10400.3, 0.00319917/step, 1.51872 hours remaining, 238.921875 MB of memory in use. ENERGY: 3291000 4019.4734 20583.9817 14470.5739 243.7978 -203659.7611 2576.2214 0.0000 0.0000 52522.4750 -109243.2379 301.8474 -161765.7129 -108869.0069 299.4983 -81.1298 -50.8337 763020.9830 -0.6163 -0.5224 PRESSURE: 3291200 -100.337 85.7866 -56.3885 85.7871 32.7755 -168.862 -56.3875 -168.863 -616.868 GPRESSURE: 3291200 -96.1427 -23.1619 -43.6403 12.1732 87.3513 -161.674 29.0301 -69.2454 -606.012 PRESSAVG: 3291200 -2.07442 6.67361 3.50858 6.67358 -0.878708 -40.4073 3.50862 -40.4073 13.4696 GPRESSAVG: 3291200 -2.65502 7.1393 1.32221 5.95751 -0.381949 -40.1792 4.49441 -37.7501 13.6874 TIMING: 3291200 CPU: 10400.9, 0.00316377/step Wall: 10400.9, 0.00316377/step, 1.50173 hours remaining, 238.921875 MB of memory in use. ENERGY: 3291200 4071.4024 20671.3307 14399.5711 252.4355 -203522.4994 2790.3085 0.0000 0.0000 52090.8533 -109246.5979 299.3668 -161337.4513 -108893.4034 299.7877 -228.1432 -204.9344 762793.8762 3.5055 3.5501 PRESSURE: 3291400 -97.9643 -262.356 -20.4857 -262.355 -286.315 61.1313 -20.4866 61.1315 -101.282 GPRESSURE: 3291400 14.9826 -315.673 17.7469 -237.486 -239.398 68.3822 -2.40553 119.316 -166.055 PRESSAVG: 3291400 24.1006 -36.6672 15.3385 -36.6672 23.0238 6.9682 15.3384 6.96825 -3.16253 GPRESSAVG: 3291400 24.9943 -36.5676 17.9525 -37.1264 22.4012 7.02291 11.6935 5.38414 -4.02747 TIMING: 3291400 CPU: 10401.6, 0.0031862/step Wall: 10401.6, 0.0031862/step, 1.51221 hours remaining, 238.921875 MB of memory in use. ENERGY: 3291400 4023.0052 20616.7605 14440.2185 230.3369 -203585.7401 2692.4326 0.0000 0.0000 52350.9575 -109232.0289 300.8617 -161582.9865 -108859.8120 300.0317 -161.8540 -130.1566 761918.4647 14.6539 14.4560 PRESSURE: 3291600 -346.663 -107.937 -105.363 -107.936 118.458 36.9937 -105.363 36.994 85.9405 GPRESSURE: 3291600 -225.372 -154.325 -124.029 -49.3953 138.95 115.889 -116.349 -81.0286 42.6609 PRESSAVG: 3291600 22.4519 -59.2567 -36.4574 -59.2568 -35.7173 -10.836 -36.4574 -10.836 -3.23036 GPRESSAVG: 3291600 22.37 -60.9669 -38.7868 -57.1767 -36.7225 -10.2509 -33.4367 -13.2265 -2.05136 TIMING: 3291600 CPU: 10402.2, 0.00315872/step Wall: 10402.2, 0.00315872/step, 1.49899 hours remaining, 238.921875 MB of memory in use. ENERGY: 3291600 4119.7655 20614.1792 14405.0671 254.2867 -203695.9124 2973.7775 0.0000 0.0000 52080.1971 -109248.6393 299.3056 -161328.8364 -108903.4388 299.7991 -47.4215 -14.5869 761297.5270 -5.4986 -5.4680 PRESSURE: 3291800 32.4226 187.418 -86.151 187.418 57.7329 186.902 -86.1506 186.903 124.185 GPRESSURE: 3291800 35.6371 185.622 -203.152 208.904 99.1808 163.865 32.4943 125.801 143.449 PRESSAVG: 3291800 -4.11438 -28.1057 28.589 -28.1057 37.7032 10.3842 28.589 10.3842 34.8298 GPRESSAVG: 3291800 -4.03078 -25.9704 30.1703 -29.4874 38.011 10.0045 28.2964 11.8157 34.4068 TIMING: 3291800 CPU: 10402.8, 0.00315425/step Wall: 10402.8, 0.00315425/step, 1.49669 hours remaining, 238.921875 MB of memory in use. ENERGY: 3291800 3989.7405 20631.2307 14409.8424 233.3571 -203269.3251 2397.7627 0.0000 0.0000 52234.8881 -109372.5036 300.1946 -161607.3917 -109011.8544 300.1953 71.4468 92.7555 761562.0756 22.8062 22.7957 PRESSURE: 3292000 198.368 -6.42641 -58.457 -6.42717 52.1687 -65.9955 -58.4568 -65.9952 -259.413 GPRESSURE: 3292000 207.587 -28.2889 -6.4166 35.906 64.0192 -89.0064 -70.5056 -167.391 -207.916 PRESSAVG: 3292000 -25.368 13.3591 2.32688 13.3591 -67.3749 -33.3279 2.32683 -33.3279 -15.5825 GPRESSAVG: 3292000 -24.3513 10.9561 2.00654 14.162 -68.2335 -31.2901 2.27248 -34.9523 -15.4471 TIMING: 3292000 CPU: 10403.5, 0.00314868/step Wall: 10403.5, 0.00314868/step, 1.49387 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3292000 4058.2217 20533.5973 14497.0675 242.5747 -203469.8655 2641.8940 0.0000 0.0000 52073.2253 -109423.2851 299.2655 -161496.5104 -109065.2766 299.1005 -2.9587 21.2298 762671.5506 -36.1085 -36.0107 PRESSURE: 3292200 -143.463 38.9629 73.0247 38.9635 -67.1644 16.0754 73.0244 16.0741 -445.952 GPRESSURE: 3292200 -136.742 -10.8687 68.3427 32.0152 -97.8892 -15.4968 60.531 120.324 -360.814 PRESSAVG: 3292200 45.1399 -40.7351 11.3007 -40.7351 -37.5729 -8.09276 11.3007 -8.0928 5.2913 GPRESSAVG: 3292200 44.4565 -38.7505 11.8666 -43.0755 -36.2213 -9.47578 11.9914 -6.19413 4.81948 TIMING: 3292200 CPU: 10404.1, 0.00315845/step Wall: 10404.1, 0.00315845/step, 1.49833 hours remaining, 238.921875 MB of memory in use. ENERGY: 3292200 4092.7578 20617.1216 14440.6942 253.4912 -203297.1298 2578.4509 0.0000 0.0000 51792.6308 -109521.9832 297.6530 -161314.6140 -109176.8856 298.6653 -218.8598 -198.4818 764856.5694 4.2861 4.3515 LDB: ============= START OF LOAD BALANCING ============== 10416.5 LDB: ============== END OF LOAD BALANCING =============== 10416.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10416.5 LDB: ============= START OF LOAD BALANCING ============== 10416.8 LDB: Largest compute 7033 load 0.031045 is 15.8% of average load 0.196081 LDB: Average compute 0.004384 is 2.2% of average load 0.196081 LDB: TIME 10416.8 LOAD: AVG 0.196081 MAX 0.216598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 10416.8 LOAD: AVG 0.196081 MAX 0.216598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: TIME 10416.8 LOAD: AVG 0.196081 MAX 0.216598 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: ============== END OF LOAD BALANCING =============== 10416.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10416.8 PRESSURE: 3292400 -124.156 53.6334 229.427 53.6343 -141.795 -111.878 229.428 -111.879 -17.7894 GPRESSURE: 3292400 -129.69 129.87 119.866 -25.2447 -100.707 -72.3798 168.296 0.959388 20.8154 PRESSAVG: 3292400 -0.130175 -30.4692 43.0576 -30.4692 -1.9388 17.3797 43.0575 17.3797 18.8529 GPRESSAVG: 3292400 -1.49723 -31.0191 42.5805 -30.2611 -2.21567 15.2999 43.3864 19.2093 20.0223 TIMING: 3292400 CPU: 10404.7, 0.00323282/step Wall: 10404.7, 0.00323282/step, 1.53343 hours remaining, 238.867188 MB of memory in use. ENERGY: 3292400 3963.4248 20673.5678 14456.4355 239.2613 -203800.6825 2951.3445 0.0000 0.0000 52166.3686 -109350.2801 299.8008 -161516.6487 -108988.5435 299.1089 -94.5802 -69.8606 765098.6887 5.5946 5.4365 PRESSURE: 3292600 78.8418 135.164 -12.0282 135.163 39.6257 -134.375 -12.0285 -134.376 194.913 GPRESSURE: 3292600 29.2346 177.4 -11.7331 142.201 125.397 -270.117 -52.7974 -229.507 245.775 PRESSAVG: 3292600 16.7297 45.4469 -6.20436 45.447 -64.4292 36.901 -6.20438 36.901 -23.6287 GPRESSAVG: 3292600 17.9329 45.3135 -7.28682 45.6465 -65.2742 37.6215 -6.25723 36.8266 -23.8397 TIMING: 3292600 CPU: 10405.4, 0.00315229/step Wall: 10405.4, 0.00315229/step, 1.49506 hours remaining, 239.070312 MB of memory in use. ENERGY: 3292600 4046.4839 20702.3943 14485.8488 233.2098 -203601.3016 2967.7922 0.0000 0.0000 51854.4878 -109311.0847 298.0085 -161165.5726 -108943.6127 299.2005 104.4602 133.4689 763516.2093 -23.7761 -23.7270 PRESSURE: 3292800 149.418 -41.1441 43.2467 -41.1453 -89.9296 139.261 43.2469 139.261 -256.273 GPRESSURE: 3292800 207.994 -49.9714 118.78 55.0784 -109.205 131.145 110.17 62.0948 -212.666 PRESSAVG: 3292800 1.29805 -14.2997 -13.8071 -14.2996 -53.0537 15.0487 -13.8071 15.0487 3.42905 GPRESSAVG: 3292800 1.43023 -13.9011 -13.0577 -10.7603 -53.3505 15.1423 -13.7625 13.344 3.12369 TIMING: 3292800 CPU: 10406, 0.00317214/step Wall: 10406, 0.00317215/step, 1.5043 hours remaining, 239.070312 MB of memory in use. ENERGY: 3292800 3962.6000 20476.2455 14585.7065 263.4228 -203440.0522 2716.8942 0.0000 0.0000 51774.2693 -109660.9139 297.5474 -161435.1833 -109299.9493 298.6857 -65.5948 -37.9591 763396.1191 -16.1089 -16.2655 PRESSURE: 3293000 52.8521 -91.0967 214.127 -91.0973 -44.2205 33.4021 214.127 33.4019 117.772 GPRESSURE: 3293000 108.2 -38.9406 144.729 -36.0394 49.2557 -12.699 193.608 -62.1157 52.4687 PRESSAVG: 3293000 25.2223 -46.982 42.2 -46.9819 -41.8607 -18.8413 42.1999 -18.8413 9.85543 GPRESSAVG: 3293000 26.3939 -46.2731 42.4497 -48.0425 -41.3502 -16.8737 42.7 -17.9503 8.5937 TIMING: 3293000 CPU: 10406.6, 0.0031732/step Wall: 10406.6, 0.0031732/step, 1.50462 hours remaining, 239.070312 MB of memory in use. ENERGY: 3293000 3962.1155 20561.3489 14471.0385 228.9664 -203002.5776 2463.2128 0.0000 0.0000 51781.7406 -109534.1549 297.5904 -161315.8955 -109167.4446 298.6264 42.1346 69.9748 763944.4279 -2.2610 -2.1209 PRESSURE: 3293200 -80.4621 -255.776 -51.7075 -255.776 -195.5 97.7034 -51.7076 97.7026 -64.9247 GPRESSURE: 3293200 -174.585 -207.61 -40.8198 -216.694 -86.4498 -61.1102 -15.9547 21.4617 -0.801339 PRESSAVG: 3293200 -10.442 -53.811 55.9432 -53.811 -7.04873 -45.4653 55.9432 -45.4653 2.88402 GPRESSAVG: 3293200 -11.4282 -55.3846 55.3518 -54.7112 -7.43785 -46.852 54.3248 -45.507 4.15424 TIMING: 3293200 CPU: 10407.3, 0.00316031/step Wall: 10407.3, 0.00316031/step, 1.49834 hours remaining, 239.070312 MB of memory in use. ENERGY: 3293200 3963.0603 20444.1110 14451.2516 243.5978 -203272.1056 2537.8789 0.0000 0.0000 52143.5720 -109488.6339 299.6698 -161632.2059 -109120.2618 298.5005 -113.6289 -87.2788 763049.2238 -4.8689 -4.9039 PRESSURE: 3293400 -92.5182 -150.15 -37.5664 -150.15 55.6211 75.0931 -37.566 75.0934 514.497 GPRESSURE: 3293400 31.2105 -221.351 -74.9538 -118.28 69.2833 41.046 -104.856 30.7746 470.231 PRESSAVG: 3293400 63.8911 -59.8679 -75.7969 -59.868 -59.1609 1.82872 -75.7969 1.82879 -3.47274 GPRESSAVG: 3293400 64.8315 -57.8835 -75.7881 -58.2417 -59.0133 3.15716 -76.0123 -0.843064 -4.21748 TIMING: 3293400 CPU: 10407.9, 0.00318742/step Wall: 10407.9, 0.00318742/step, 1.51102 hours remaining, 239.070312 MB of memory in use. ENERGY: 3293400 4014.5892 20555.2533 14457.6050 261.6042 -203957.4354 3106.5977 0.0000 0.0000 52094.8193 -109466.9667 299.3896 -161561.7860 -109106.7188 299.2940 159.2001 190.2416 762213.6705 0.4192 0.5336 PRESSURE: 3293600 20.6092 -3.93451 80.902 -3.93485 78.671 343.47 80.9017 343.469 562.175 GPRESSURE: 3293600 72.0382 87.5511 64.3277 70.1026 135.229 329.49 104.691 346.196 549.463 PRESSAVG: 3293600 65.2009 -6.30835 -10.4925 -6.30837 -73.6546 6.8754 -10.4925 6.87549 4.35619 GPRESSAVG: 3293600 66.1223 -6.99165 -10.0138 -5.83507 -74.5503 6.62783 -11.1085 9.0538 4.54901 TIMING: 3293600 CPU: 10408.5, 0.0031793/step Wall: 10408.5, 0.0031793/step, 1.50699 hours remaining, 239.070312 MB of memory in use. ENERGY: 3293600 3983.3606 20494.9646 14474.6214 242.9295 -203505.0828 2676.7366 0.0000 0.0000 52220.6649 -109411.8054 300.1129 -161632.4703 -109049.7407 299.3927 220.4850 252.2432 763382.7276 -1.3658 -1.2930 PRESSURE: 3293800 270.835 -64.4438 52.2271 -64.4441 27.9759 -324.897 52.2268 -324.897 257.927 GPRESSURE: 3293800 232.961 0.20841 61.6601 -181.834 65.4201 -227.17 47.9079 -263.063 322.127 PRESSAVG: 3293800 56.3886 -20.3833 -30.5054 -20.3833 -37.8174 -19.7608 -30.5054 -19.7608 30.7042 GPRESSAVG: 3293800 53.7195 -19.0343 -29.3184 -23.349 -36.9575 -21.3132 -31.6378 -19.4396 32.0319 TIMING: 3293800 CPU: 10409.2, 0.00316666/step Wall: 10409.2, 0.00316666/step, 1.50082 hours remaining, 239.070312 MB of memory in use. ENERGY: 3293800 3907.5829 20602.7300 14513.1050 240.6368 -203339.5568 2611.3649 0.0000 0.0000 52045.9472 -109418.1899 299.1088 -161464.1371 -109056.4808 299.7955 185.5794 206.8361 761358.5709 16.4251 16.2647 PRESSURE: 3294000 59.8188 -126.751 -115.644 -126.75 -119.409 91.3575 -115.644 91.3572 46.208 GPRESSURE: 3294000 111.171 -61.5584 -165.785 -105.197 -52.359 51.6132 -14.1101 38.5307 6.9225 PRESSAVG: 3294000 28.1279 -47.8 -2.83686 -47.7999 -23.9936 5.82753 -2.83686 5.82753 -13.3799 GPRESSAVG: 3294000 29.3906 -49.5558 -4.77568 -46.1979 -23.1265 6.41242 -2.87391 5.38529 -15.0717 TIMING: 3294000 CPU: 10409.8, 0.00318065/step Wall: 10409.8, 0.00318065/step, 1.50727 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3294000 3997.8678 20532.8870 14434.2812 259.1576 -202977.6820 2382.3307 0.0000 0.0000 51901.5389 -109469.6188 298.2789 -161371.1577 -109118.2328 299.0717 -4.4608 21.9115 761950.6073 -3.0819 -2.9358 PRESSURE: 3294200 -32.8429 279.856 13.7372 279.857 -243.598 -252.659 13.7373 -252.659 94.5346 GPRESSURE: 3294200 32.7974 231.972 3.79147 122.622 -228.915 -209.236 -12.7712 -226.71 123.577 PRESSAVG: 3294200 61.6273 -34.6006 70.7823 -34.6007 -72.0194 40.9483 70.7823 40.9483 11.2002 GPRESSAVG: 3294200 61.3449 -32.6666 71.2088 -36.997 -72.5546 39.3272 74.6052 42.1032 12.7072 TIMING: 3294200 CPU: 10410.4, 0.00315773/step Wall: 10410.4, 0.00315773/step, 1.49624 hours remaining, 239.070312 MB of memory in use. ENERGY: 3294200 3931.7085 20493.7182 14450.2958 243.5630 -203384.4827 2456.4519 0.0000 0.0000 52105.2983 -109703.4470 299.4499 -161808.7453 -109336.0169 299.1472 -60.6353 -24.1801 761246.6750 0.2694 0.4991 PRESSURE: 3294400 71.3371 -112.032 187.744 -112.032 -218.099 -23.6025 187.744 -23.6032 24.7164 GPRESSURE: 3294400 75.8982 60.8245 123.042 -108.233 -84.516 -52.9638 149.218 26.8496 -34.1384 PRESSAVG: 3294400 57.0041 -47.8778 84.4091 -47.8779 -45.2749 -27.5551 84.4092 -27.5551 15.8795 GPRESSAVG: 3294400 59.1323 -48.8938 82.5621 -43.2589 -46.869 -27.1738 83.7012 -27.7857 15.5796 TIMING: 3294400 CPU: 10411.1, 0.00315416/step Wall: 10411.1, 0.00315416/step, 1.49437 hours remaining, 239.070312 MB of memory in use. ENERGY: 3294400 4042.3843 20571.8748 14462.2932 246.5332 -203973.5018 2792.3030 0.0000 0.0000 52108.8948 -109749.2185 299.4705 -161858.1133 -109389.8724 298.7408 -40.6819 -14.2521 760158.5466 9.2029 9.2810 PRESSURE: 3294600 198.818 161.328 195.876 161.328 -96.1596 28.5259 195.876 28.5257 -134.815 GPRESSURE: 3294600 186.711 130.811 199.948 174.971 64.3044 45.4951 85.8508 24.7075 -190.757 PRESSAVG: 3294600 65.5707 -5.96153 35.1246 -5.96156 -61.6236 -7.48677 35.1245 -7.48683 7.84023 GPRESSAVG: 3294600 64.548 -4.99916 37.2937 -7.59799 -59.4057 -6.20786 34.318 -9.71058 7.02255 TIMING: 3294600 CPU: 10411.7, 0.00315443/step Wall: 10411.7, 0.00315443/step, 1.49432 hours remaining, 239.070312 MB of memory in use. ENERGY: 3294600 3945.7403 20593.5045 14410.3640 237.4623 -203412.3521 2715.7927 0.0000 0.0000 51832.1339 -109677.3544 297.8800 -161509.4882 -109310.4759 298.4027 -10.7189 20.0864 762281.7607 3.9291 4.0549 PRESSURE: 3294800 -332.387 34.0425 -29.3827 34.0424 -550.161 174.791 -29.3826 174.791 -286.221 GPRESSURE: 3294800 -317.964 47.9147 -17.8376 -41.2658 -490.09 248.65 123.306 176.07 -260.607 PRESSAVG: 3294800 77.238 -11.2251 52.3339 -11.2252 -83.9554 -40.7571 52.3338 -40.7571 4.93698 GPRESSAVG: 3294800 76.4678 -12.0205 52.1341 -11.6776 -83.9313 -39.8026 53.214 -41.1355 5.60697 TIMING: 3294800 CPU: 10412.3, 0.00315177/step Wall: 10412.3, 0.00315177/step, 1.49289 hours remaining, 239.070312 MB of memory in use. ENERGY: 3294800 3959.4175 20600.6584 14413.0378 246.0142 -202972.3572 2080.3180 0.0000 0.0000 52168.3184 -109504.5929 299.8120 -161672.9113 -109144.2603 298.8404 -389.5898 -356.2204 762297.3963 -0.5935 -0.6189 PRESSURE: 3295000 325.724 94.5662 -260.059 94.5663 186.75 -221.097 -260.058 -221.097 282.839 GPRESSURE: 3295000 414.939 77.2221 -266.844 -14.1561 181.445 -237.725 -211.598 -175.169 291.631 PRESSAVG: 3295000 -13.8422 -26.5988 10.2514 -26.5988 -58.7568 -3.75727 10.2515 -3.75732 -0.541493 GPRESSAVG: 3295000 -13.8287 -27.0587 9.27778 -27.6018 -58.7259 -4.56569 10.9943 -0.757199 -0.755098 TIMING: 3295000 CPU: 10413, 0.00314916/step Wall: 10413, 0.00314916/step, 1.49148 hours remaining, 239.070312 MB of memory in use. ENERGY: 3295000 3918.2907 20556.8320 14503.7233 265.6651 -203495.2447 2753.9276 0.0000 0.0000 51925.4237 -109571.3824 298.4161 -161496.8060 -109214.6341 299.2401 265.1043 296.0051 761476.2321 -24.3802 -24.4365 PRESSURE: 3295200 -7.78265 -20.9524 5.0372 -20.9524 -185.915 -37.7396 5.03705 -37.7409 73.7468 GPRESSURE: 3295200 -24.0035 -164.95 -73.5132 -16.6854 -132.52 -55.1806 38.0525 -84.844 121.606 PRESSAVG: 3295200 32.6824 24.2145 35.0066 24.2145 -32.5054 22.2647 35.0067 22.2648 1.18069 GPRESSAVG: 3295200 33.135 25.577 35.9683 24.0311 -32.2636 21.4996 32.884 20.3904 0.185618 TIMING: 3295200 CPU: 10413.6, 0.00316155/step Wall: 10413.6, 0.00316155/step, 1.49717 hours remaining, 239.070312 MB of memory in use. ENERGY: 3295200 4006.5394 20530.2294 14435.1347 253.8893 -203480.2761 2650.0195 0.0000 0.0000 51888.4316 -109716.0322 298.2035 -161604.4638 -109362.9466 298.7863 -39.9837 -11.6395 761837.9596 0.4526 0.3523 PRESSURE: 3295400 -97.6634 31.2868 -52.7039 31.2862 -243.976 -77.1503 -52.7034 -77.1506 -18.746 GPRESSURE: 3295400 -130.021 52.7333 -141.344 84.8082 -161.906 -106.053 -47.7544 -55.5122 6.28517 PRESSAVG: 3295400 -6.441 5.92104 -23 5.92106 27.4058 34.0285 -23 34.0283 -6.85746 GPRESSAVG: 3295400 -6.85366 5.81676 -22.6183 6.74581 27.046 32.4824 -21.5878 33.989 -6.34844 TIMING: 3295400 CPU: 10414.2, 0.00321511/step Wall: 10414.2, 0.00321511/step, 1.52235 hours remaining, 239.070312 MB of memory in use. ENERGY: 3295400 3875.9956 20535.3952 14454.6790 244.9042 -203434.9283 2688.0639 0.0000 0.0000 51908.3863 -109727.5042 298.3182 -161635.8904 -109371.1573 298.9764 -120.1285 -95.2140 761605.4927 4.7025 4.6146 PRESSURE: 3295600 171.497 -46.2637 196.976 -46.2638 -78.0895 215.129 196.976 215.129 105.427 GPRESSURE: 3295600 237.044 -74.6375 214.623 -80.7888 -91.2764 160.855 167.887 79.6547 144.354 PRESSAVG: 3295600 42.002 -5.94932 -16.579 -5.94932 -39.1781 58.957 -16.579 58.957 14.5139 GPRESSAVG: 3295600 41.3183 -7.07765 -14.5078 -4.57578 -38.4145 59.7328 -18.9797 58.4543 14.2909 TIMING: 3295600 CPU: 10414.9, 0.00318281/step Wall: 10414.9, 0.00318281/step, 1.50688 hours remaining, 239.070312 MB of memory in use. ENERGY: 3295600 3923.4966 20423.7591 14542.1823 243.3921 -203288.0772 2562.0947 0.0000 0.0000 51908.6562 -109684.4962 298.3198 -161593.1524 -109321.0017 298.5640 66.2783 96.7070 762005.8714 5.7793 5.7316 PRESSURE: 3295800 -45.609 105.258 83.0769 105.258 -23.5631 -90.8348 83.0754 -90.8345 -381.562 GPRESSURE: 3295800 17.537 248.12 76.5928 148.649 15.8556 -46.5786 -74.9907 -28.2975 -423.062 PRESSAVG: 3295800 32.9531 -29.7001 0.69919 -29.7001 -52.524 -1.02433 0.699179 -1.02426 -6.54003 GPRESSAVG: 3295800 33.5685 -30.5084 -2.54806 -30.5731 -52.9174 -0.0860897 1.36467 0.469446 -6.61474 TIMING: 3295800 CPU: 10415.5, 0.00316106/step Wall: 10415.5, 0.00316106/step, 1.49641 hours remaining, 239.070312 MB of memory in use. ENERGY: 3295800 4014.7987 20371.3430 14514.6048 243.5371 -203855.2251 2934.3101 0.0000 0.0000 51996.8375 -109779.7938 298.8265 -161776.6313 -109419.2591 298.7106 -150.2446 -129.8898 761659.9335 -8.7036 -8.6545 PRESSURE: 3296000 -133.553 -179.778 69.7836 -179.779 -373.738 -90.831 69.7841 -90.8306 -227.727 GPRESSURE: 3296000 -57.3656 -277.189 -13.1921 -93.5725 -354.263 -179.839 78.5411 -85.1149 -225.187 PRESSAVG: 3296000 30.1327 13.6493 -29.0114 13.6493 -5.39927 -13.7247 -29.0114 -13.7246 -26.8049 GPRESSAVG: 3296000 30.8662 15.6957 -28.4806 11.4206 -5.33173 -15.8433 -30.0253 -14.7092 -27.7431 TIMING: 3296000 CPU: 10416.1, 0.00318497/step Wall: 10416.1, 0.00318497/step, 1.50755 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3296000 3972.5285 20765.3959 14544.0412 237.3182 -203783.2044 2760.7911 0.0000 0.0000 51710.8451 -109792.2845 297.1829 -161503.1295 -109442.7986 298.8635 -245.0060 -212.2716 761192.6421 -0.6905 -0.7362 PRESSURE: 3296200 3.95077 -114.321 126.518 -114.319 -128.062 -25.1444 126.518 -25.1427 178.525 GPRESSURE: 3296200 10.8741 -86.3487 143.438 -164.387 -36.4469 -73.8112 106.368 -16.8935 143.942 PRESSAVG: 3296200 -6.78658 -8.53832 0.599218 -8.53834 4.93208 55.9622 0.599198 55.9622 17.8105 GPRESSAVG: 3296200 -7.8206 -8.25192 2.36487 -7.51923 4.78686 57.2028 1.15936 54.4755 18.6577 TIMING: 3296200 CPU: 10416.8, 0.00320771/step Wall: 10416.8, 0.00320771/step, 1.51814 hours remaining, 239.070312 MB of memory in use. ENERGY: 3296200 3905.2619 20575.3130 14466.3094 245.9781 -203708.0266 2610.9186 0.0000 0.0000 51866.6159 -110037.6296 298.0782 -161904.2455 -109676.6871 298.4083 18.1377 39.4564 761347.4374 5.3187 5.2080 LDB: ============= START OF LOAD BALANCING ============== 10429.2 LDB: ============== END OF LOAD BALANCING =============== 10429.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10429.2 LDB: ============= START OF LOAD BALANCING ============== 10429.5 LDB: Largest compute 7033 load 0.034259 is 17.5% of average load 0.196122 LDB: Average compute 0.004375 is 2.2% of average load 0.196122 LDB: TIME 10429.5 LOAD: AVG 0.196122 MAX 0.214945 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 10429.5 LOAD: AVG 0.196122 MAX 0.214945 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 10429.5 LOAD: AVG 0.196122 MAX 0.214945 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: ============== END OF LOAD BALANCING =============== 10429.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10429.5 PRESSURE: 3296400 -448.211 -25.871 29.3112 -25.8709 18.5766 244.864 29.3101 244.864 -234.545 GPRESSURE: 3296400 -438.864 -88.8428 13.5946 123.415 61.9204 213.192 70.4314 161.362 -218.887 PRESSAVG: 3296400 -31.8634 -20.1605 80.6185 -20.1604 9.64874 68.2097 80.6185 68.2096 6.7291 GPRESSAVG: 3296400 -31.6439 -20.3351 77.7971 -19.7349 9.41389 68.1339 81.7909 69.3404 7.16057 TIMING: 3296400 CPU: 10417.4, 0.00327433/step Wall: 10417.4, 0.00327433/step, 1.54949 hours remaining, 238.355469 MB of memory in use. ENERGY: 3296400 3979.6033 20567.0357 14466.9784 255.3050 -203763.9537 2695.1721 0.0000 0.0000 51873.6562 -109926.2029 298.1186 -161799.8591 -109565.2466 298.1676 -221.3929 -198.6103 763615.7400 -5.1619 -5.0232 PRESSURE: 3296600 40.4357 -11.8857 -202.856 -11.8848 -443.679 -234.831 -202.855 -234.831 91.8728 GPRESSURE: 3296600 -0.101979 -51.578 -289.027 -74.1128 -317.051 -310.492 -186.536 -213.366 74.599 PRESSAVG: 3296600 -9.24626 10.0168 2.04666 10.0168 -4.86712 47.1951 2.04663 47.1951 -19.7754 GPRESSAVG: 3296600 -9.80045 9.5659 3.19125 8.38139 -3.6545 47.0312 0.850187 48.3873 -20.4187 TIMING: 3296600 CPU: 10418.1, 0.00317078/step Wall: 10418.1, 0.00317078/step, 1.50031 hours remaining, 238.355469 MB of memory in use. ENERGY: 3296600 4026.1747 20389.8966 14496.3020 251.7660 -203715.5799 2742.1449 0.0000 0.0000 51946.5927 -109862.7030 298.5378 -161809.2957 -109502.7474 297.9622 -103.7904 -80.8513 761364.1807 -11.2963 -11.2912 PRESSURE: 3296800 -17.3238 132.412 93.2308 132.412 -41.3788 278.702 93.2312 278.701 -140.227 GPRESSURE: 3296800 131.089 82.0873 92.8569 145.498 -108.752 168.186 66.3153 407.532 -149.123 PRESSAVG: 3296800 21.5413 7.87567 45.0999 7.87574 -27.6092 91.5213 45.0999 91.5214 2.22171 GPRESSAVG: 3296800 24.0709 8.00029 44.5939 10.1056 -29.9148 91.0974 47.1437 89.918 2.24015 TIMING: 3296800 CPU: 10418.7, 0.00319662/step Wall: 10418.7, 0.00319662/step, 1.51236 hours remaining, 238.355469 MB of memory in use. ENERGY: 3296800 3982.0419 20336.9292 14427.7839 249.9548 -203443.6119 2439.2911 0.0000 0.0000 51957.7237 -110049.8874 298.6018 -162007.6111 -109682.3015 298.4324 -66.3098 -42.2621 762600.1681 -1.2821 -1.2013 PRESSURE: 3297000 152.279 156.839 77.6695 156.839 164.53 238.39 77.6686 238.39 -147.226 GPRESSURE: 3297000 273.395 90.2002 90.0092 139.534 166.989 154.126 161.151 177.133 -198.064 PRESSAVG: 3297000 43.3384 -9.03073 11.7688 -9.03072 -40.8365 86.7345 11.7688 86.7345 6.26404 GPRESSAVG: 3297000 42.3644 -6.79215 12.6126 -10.6173 -40.4443 87.0765 11.4703 87.6398 6.93607 TIMING: 3297000 CPU: 10419.4, 0.00321454/step Wall: 10419.4, 0.00321455/step, 1.52066 hours remaining, 238.355469 MB of memory in use. ENERGY: 3297000 3971.2900 20432.7477 14476.1343 253.1515 -204090.6040 2975.4036 0.0000 0.0000 51780.2509 -110201.6261 297.5818 -161981.8770 -109845.0028 297.9863 56.5277 80.7731 762111.7252 2.9220 2.9521 PRESSURE: 3297200 356.783 -21.231 106.398 -21.2315 152.903 328.702 106.398 328.701 169.855 GPRESSURE: 3297200 317.46 15.7333 21.8912 62.1026 218.982 291.076 7.8443 348.682 224.411 PRESSAVG: 3297200 37.8003 24.6235 -28.1059 24.6235 -32.731 9.6031 -28.1059 9.60303 17.6453 GPRESSAVG: 3297200 38.277 23.0322 -28.4603 25.4597 -33.2124 8.06164 -28.4677 10.8309 17.1977 TIMING: 3297200 CPU: 10420, 0.00317474/step Wall: 10420, 0.00317474/step, 1.50165 hours remaining, 238.355469 MB of memory in use. ENERGY: 3297200 4013.3950 20547.7526 14494.1623 246.6735 -203987.9010 2901.5626 0.0000 0.0000 51782.7320 -110001.6229 297.5961 -161784.3550 -109645.1505 298.0474 226.5139 253.6176 760765.8965 7.5715 7.4208 PRESSURE: 3297400 -299.136 -48.3923 -62.1762 -48.3917 -45.9201 -249.149 -62.1753 -249.15 -303.318 GPRESSURE: 3297400 -230.714 -55.2458 -61.242 21.8927 -9.78112 -319.948 -57.9273 -251.719 -317.41 PRESSAVG: 3297400 21.8788 -41.477 -23.2312 -41.477 20.6233 -16.4376 -23.2312 -16.4376 -9.9669 GPRESSAVG: 3297400 20.69 -40.2026 -23.4511 -41.9442 21.5187 -15.2497 -24.6608 -18.791 -9.89673 TIMING: 3297400 CPU: 10420.6, 0.00317654/step Wall: 10420.6, 0.00317654/step, 1.50233 hours remaining, 238.355469 MB of memory in use. ENERGY: 3297400 3963.3871 20552.3424 14497.2595 248.8599 -203740.4312 2471.3130 0.0000 0.0000 51975.4503 -110031.8190 298.7036 -162007.2692 -109669.2291 298.6131 -216.1248 -185.9683 761525.7240 10.8451 10.7707 PRESSURE: 3297600 -409.809 23.5385 -116.403 23.5377 -72.622 -150.244 -116.404 -150.245 -213.266 GPRESSURE: 3297600 -437.707 57.4518 -110.401 21.911 -16.9371 -244.632 -168.222 -161.255 -162.406 PRESSAVG: 3297600 3.10121 -40.3842 24.3878 -40.3842 -16.5042 -28.3802 24.3878 -28.3802 -28.7178 GPRESSAVG: 3297600 1.96507 -40.1661 26.2951 -37.6449 -15.8245 -26.8991 24.0839 -27.8813 -28.4959 TIMING: 3297600 CPU: 10421.3, 0.00320222/step Wall: 10421.3, 0.00320222/step, 1.5143 hours remaining, 238.355469 MB of memory in use. ENERGY: 3297600 4011.2851 20472.0709 14523.5693 226.1389 -203686.9720 2407.2127 0.0000 0.0000 51988.8736 -110057.8213 298.7808 -162046.6950 -109689.8391 298.3146 -231.8992 -205.6833 760493.3071 -14.0403 -14.1185 PRESSURE: 3297800 125.484 35.3903 94.1173 35.3897 348.418 -349.043 94.1173 -349.043 143.59 GPRESSURE: 3297800 240.458 36.2508 94.8331 70.7749 280.21 -312.613 120.156 -422.513 198.844 PRESSAVG: 3297800 -10.8622 -10.6127 -11.3965 -10.6128 -17.26 5.30415 -11.3965 5.30412 17.2779 GPRESSAVG: 3297800 -9.24003 -10.7958 -13.4699 -13.6032 -18.5177 5.06448 -9.6053 5.09364 16.9759 TIMING: 3297800 CPU: 10421.9, 0.00319669/step Wall: 10421.9, 0.00319669/step, 1.5115 hours remaining, 238.355469 MB of memory in use. ENERGY: 3297800 3997.0923 20487.6640 14459.7116 249.1203 -203870.8678 2761.3611 0.0000 0.0000 51712.2179 -110203.7005 297.1908 -161915.9184 -109855.5710 298.2551 205.8307 239.8373 759887.6058 -3.6147 -3.5940 PRESSURE: 3298000 534.706 2.22713 19.1951 2.22734 724.15 9.27794 19.1949 9.2785 190.127 GPRESSURE: 3298000 540.793 54.1679 31.8707 14.5767 729.34 -0.0488502 57.5778 63.5756 254.684 PRESSAVG: 3298000 61.0317 2.92549 -40.2851 2.92551 -48.6211 60.0337 -40.2851 60.0337 -3.64025 GPRESSAVG: 3298000 61.1955 3.08881 -39.0558 4.97229 -48.2853 59.2678 -41.049 61.0341 -3.20297 TIMING: 3298000 CPU: 10422.5, 0.00317274/step Wall: 10422.5, 0.00317274/step, 1.5 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3298000 3933.6025 20530.0687 14455.0902 244.1627 -204166.6650 2968.1183 0.0000 0.0000 51981.5389 -110054.0835 298.7386 -162035.6224 -109680.2735 298.0657 482.9945 508.2723 759809.0399 2.9235 3.2357 PRESSURE: 3298200 -94.1371 205.675 79.0603 205.675 -273.321 129.035 79.0601 129.034 -174.741 GPRESSURE: 3298200 -170.236 319.901 96.8848 170.795 -188.257 143.527 49.778 236.242 -96.5752 PRESSAVG: 3298200 122.285 70.33 -13.3475 70.33 -140.145 37.8367 -13.3475 37.8367 12.2266 GPRESSAVG: 3298200 120.44 71.3553 -15.2555 68.2501 -137.401 37.88 -14.1698 35.8345 11.9222 TIMING: 3298200 CPU: 10423.2, 0.00318985/step Wall: 10423.2, 0.00318985/step, 1.50791 hours remaining, 238.355469 MB of memory in use. ENERGY: 3298200 3939.5726 20460.4349 14467.9668 250.5495 -203900.2444 2670.0560 0.0000 0.0000 51846.2345 -110265.4301 297.9610 -162111.6646 -109914.6121 298.1453 -180.7332 -151.6894 761240.7674 -1.8779 -1.6795 PRESSURE: 3298400 253.714 -70.9709 332.943 -70.9696 141.896 -156.906 332.944 -156.906 -77.64 GPRESSURE: 3298400 321.121 -84.8024 452.279 7.75218 84.4758 -182.021 289.927 -75.9401 18.8222 PRESSAVG: 3298400 65.8926 34.4582 -82.2218 34.4582 -89.8878 29.2009 -82.2218 29.201 -7.39312 GPRESSAVG: 3298400 67.2951 33.1864 -79.1446 37.1128 -91.41 30.8389 -81.8241 30.1367 -6.84872 TIMING: 3298400 CPU: 10423.8, 0.00321705/step Wall: 10423.8, 0.00321705/step, 1.52059 hours remaining, 238.355469 MB of memory in use. ENERGY: 3298400 3920.5905 20435.0791 14501.2302 259.9957 -203875.3158 2668.5045 0.0000 0.0000 51853.2009 -110236.7149 298.0011 -162089.9158 -109877.2158 298.0462 105.9902 141.4732 760253.6633 -10.4628 -10.3212 PRESSURE: 3298600 -52.3709 -178.878 11.2989 -178.877 -93.553 75.2645 11.2982 75.2655 -229.814 GPRESSURE: 3298600 -33.9929 -204.283 12.7824 -216.552 -64.9913 24.2176 -22.643 55.3255 -199.755 PRESSAVG: 3298600 46.5765 32.9642 56.2512 32.9643 -49.6876 8.15485 56.2512 8.15484 2.15586 GPRESSAVG: 3298600 46.5306 32.4149 53.5752 31.3139 -50.3627 6.28908 56.2407 9.5821 2.6891 TIMING: 3298600 CPU: 10424.5, 0.00317017/step Wall: 10424.5, 0.00317017/step, 1.49826 hours remaining, 238.355469 MB of memory in use. ENERGY: 3298600 4038.8234 20497.4287 14494.1159 232.3301 -203583.4263 2408.2152 0.0000 0.0000 51806.6468 -110105.8662 297.7335 -161912.5131 -109747.0579 297.9182 -125.2459 -99.5796 761059.9512 -0.3184 -0.3810 PRESSURE: 3298800 -8.43881 87.64 -123.995 87.6394 156.513 20.8316 -123.994 20.8309 -176.187 GPRESSURE: 3298800 -56.3133 23.5634 -207.695 124.755 204.139 92.77 22.8674 -5.44747 -91.929 PRESSAVG: 3298800 37.9928 61.3719 -31.3337 61.3719 -44.1197 45.4008 -31.3338 45.4007 -11.2594 GPRESSAVG: 3298800 37.8484 61.3158 -29.8415 62.5647 -42.9881 45.6866 -31.1705 43.4432 -12.0148 TIMING: 3298800 CPU: 10425.1, 0.00314649/step Wall: 10425.1, 0.00314649/step, 1.48689 hours remaining, 238.355469 MB of memory in use. ENERGY: 3298800 3983.4696 20443.5913 14454.2287 245.0685 -204256.6363 2836.0343 0.0000 0.0000 51844.9459 -110449.2980 297.9536 -162294.2439 -110093.3397 297.8847 -9.3711 18.6324 758652.3238 -5.7954 -5.7182 PRESSURE: 3299000 333.898 90.0281 -53.7693 90.0279 75.0958 -7.73243 -53.7703 -7.73323 -338.12 GPRESSURE: 3299000 336.88 -22.093 -103.434 -4.65238 63.6416 -41.3946 -125.861 -45.876 -254.615 PRESSAVG: 3299000 50.2529 -16.9768 -22.4256 -16.9768 -42.7391 21.2384 -22.4256 21.2385 7.54722 GPRESSAVG: 3299000 50.2458 -16.5063 -23.5215 -17.5441 -42.7149 20.4078 -18.8896 21.9912 7.95719 TIMING: 3299000 CPU: 10425.7, 0.00314593/step Wall: 10425.7, 0.00314593/step, 1.48645 hours remaining, 238.355469 MB of memory in use. ENERGY: 3299000 3989.3135 20547.9109 14362.9008 223.0774 -204130.6814 2791.8530 0.0000 0.0000 51978.6535 -110236.9721 298.7220 -162215.6257 -109870.5364 297.8864 23.6247 48.6356 759549.3735 5.0204 5.1627 PRESSURE: 3299200 65.4657 109.727 386.011 109.727 -77.8599 85.4918 386.011 85.4933 -94.1787 GPRESSURE: 3299200 227.079 120.94 307.781 119.825 -54.2153 109.267 313.143 -39.3802 -209.686 PRESSAVG: 3299200 27.2032 18.4147 10.655 18.4147 -4.9079 32.6887 10.655 32.6888 -9.57643 GPRESSAVG: 3299200 26.6997 17.2221 9.79767 19.1137 -4.82059 32.3587 9.27093 32.2517 -9.47999 TIMING: 3299200 CPU: 10426.3, 0.00312617/step Wall: 10426.3, 0.00312617/step, 1.47694 hours remaining, 238.355469 MB of memory in use. ENERGY: 3299200 3947.5298 20608.6674 14377.7975 229.0499 -204222.0181 2911.4479 0.0000 0.0000 52041.2911 -110106.2346 299.0820 -162147.5257 -109747.3565 298.4620 -35.5243 -12.2742 761374.6704 4.2396 4.1330 PRESSURE: 3299400 -81.8857 116.71 4.50969 116.711 62.9785 16.2389 4.50926 16.2388 44.1913 GPRESSURE: 3299400 -92.9787 13.9816 50.5918 112.835 107.164 -87.1205 14.7977 -32.9086 83.1358 PRESSAVG: 3299400 49.1665 1.7983 34.0541 1.79831 -33.8114 -17.1505 34.0541 -17.1506 -6.51403 GPRESSAVG: 3299400 50.4732 3.11137 36.0076 0.944914 -34.6792 -16.4844 33.9031 -18.4239 -7.11366 TIMING: 3299400 CPU: 10427, 0.00315326/step Wall: 10427, 0.00315326/step, 1.48957 hours remaining, 238.355469 MB of memory in use. ENERGY: 3299400 3860.5432 20633.5738 14489.1774 243.2318 -203939.4143 2820.9518 0.0000 0.0000 51810.6582 -110081.2781 297.7566 -161891.9362 -109726.1927 298.5955 8.4280 32.4404 760661.3391 2.9470 2.8934 PRESSURE: 3299600 -9.90052 60.5286 -278.041 60.5278 -335.638 81.2419 -278.041 81.2434 -35.2368 GPRESSURE: 3299600 -58.0347 53.2061 -255.359 -8.8457 -214.021 120.918 -292.517 121.097 -28.6887 PRESSAVG: 3299600 21.0211 -5.87903 37.4554 -5.87905 -1.73904 -1.94293 37.4554 -1.94286 -3.01514 GPRESSAVG: 3299600 18.9798 -7.48588 37.1518 -8.61988 -0.879842 -0.43601 37.6548 -0.744494 -1.73189 TIMING: 3299600 CPU: 10427.6, 0.00313563/step Wall: 10427.6, 0.00313563/step, 1.48106 hours remaining, 238.355469 MB of memory in use. ENERGY: 3299600 4028.1593 20489.1790 14418.6363 242.7971 -203655.6705 2588.8929 0.0000 0.0000 51879.8819 -110008.1239 298.1544 -161888.0058 -109647.1503 298.3057 -126.9250 -100.2480 760722.8715 5.4223 5.4560 PRESSURE: 3299800 -266.011 -78.7591 71.9972 -78.7595 -108.535 -121.478 71.9967 -121.479 -61.6234 GPRESSURE: 3299800 -190.664 -42.3611 111.214 -29.2996 -129.719 -222.803 44.1059 -276.973 -14.1464 PRESSAVG: 3299800 26.4117 -11.4899 -21.7272 -11.4899 -23.7358 -3.08727 -21.7272 -3.0873 -9.6112 GPRESSAVG: 3299800 27.943 -9.30748 -21.462 -10.0049 -24.517 -4.72551 -21.8392 -3.04549 -10.4856 TIMING: 3299800 CPU: 10428.2, 0.00314338/step Wall: 10428.2, 0.00314338/step, 1.48455 hours remaining, 238.355469 MB of memory in use. ENERGY: 3299800 3927.1006 20475.7315 14418.2288 236.7217 -203409.6394 2550.2809 0.0000 0.0000 51791.4603 -110010.1157 297.6462 -161801.5760 -109650.1954 298.3365 -145.3899 -111.5099 761489.5334 -2.3118 -2.3532 PRESSURE: 3300000 102.031 88.7018 78.2018 88.702 -180.553 253.246 78.2022 253.248 -239.072 GPRESSURE: 3300000 103.377 101.349 128.088 78.8783 -18.0391 183.604 13.8596 209.532 -306.614 PRESSAVG: 3300000 29.6999 -16.9541 45.2972 -16.9541 -45.756 12.5422 45.2972 12.5423 41.392 GPRESSAVG: 3300000 29.6127 -18.7235 46.0059 -16.4183 -45.4463 11.6948 45.1297 12.0612 40.8424 TIMING: 3300000 CPU: 10428.9, 0.00319851/step Wall: 10428.9, 0.00319851/step, 1.51041 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3300000 3936.3118 20483.2050 14422.8245 230.4037 -203812.8094 2674.0257 0.0000 0.0000 52135.6769 -109930.3619 299.6245 -162066.0388 -109559.8561 298.1835 -105.8647 -73.7587 760429.8374 8.4453 8.3363 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300200 44.495 -30.1924 92.2833 -30.1935 -2.11993 -21.7425 92.2832 -21.7419 -341.005 GPRESSURE: 3300200 99.4894 85.6043 137.47 99.186 -53.5446 -119.947 65.655 -14.972 -259.727 PRESSAVG: 3300200 79.716 -13.9083 25.2564 -13.9084 -55.4573 -17.6006 25.2564 -17.6007 -28.2238 GPRESSAVG: 3300200 79.2286 -14.8076 23.9437 -13.2726 -55.5682 -16.9463 27.154 -17.0502 -27.6824 TIMING: 3300200 CPU: 10429.5, 0.00327231/step Wall: 10429.5, 0.00327231/step, 1.54507 hours remaining, 238.355469 MB of memory in use. ENERGY: 3300200 4061.7940 20338.7986 14465.3518 248.6170 -203658.3355 2681.2216 0.0000 0.0000 52177.9324 -109684.6202 299.8673 -161862.5526 -109326.5602 298.5775 -99.5433 -71.2608 762066.0238 -1.3217 -1.3406 LDB: ============= START OF LOAD BALANCING ============== 10441.9 LDB: ============== END OF LOAD BALANCING =============== 10441.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10441.9 LDB: ============= START OF LOAD BALANCING ============== 10442.2 LDB: Largest compute 7033 load 0.032828 is 16.7% of average load 0.196064 LDB: Average compute 0.004376 is 2.2% of average load 0.196064 LDB: TIME 10442.2 LOAD: AVG 0.196064 MAX 0.218672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 10442.2 LOAD: AVG 0.196064 MAX 0.218672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.551 MB LDB: TIME 10442.2 LOAD: AVG 0.196064 MAX 0.218672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.551 MB LDB: ============== END OF LOAD BALANCING =============== 10442.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 10442.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 3300400 249.05 -100.989 -30.2515 -100.989 -4.71339 132.144 -30.2513 132.144 -175.975 GPRESSURE: 3300400 365.311 -70.7448 -138.993 -128.834 -43.676 81.5992 -5.60491 206.699 -158.314 PRESSAVG: 3300400 62.2064 3.82368 32.104 3.82364 -53.6878 5.34858 32.104 5.34862 -11.2256 GPRESSAVG: 3300400 63.7113 4.68516 32.63 2.70596 -54.4273 6.50242 30.2535 5.58021 -11.0451 TIMING: 3300400 CPU: 10430.2, 0.00323599/step Wall: 10430.2, 0.00323599/step, 1.52775 hours remaining, 238.355469 MB of memory in use. ENERGY: 3300400 3944.8501 20567.8852 14487.0595 254.9748 -203445.4550 2609.4306 0.0000 0.0000 51994.0084 -109587.2464 298.8103 -161581.2548 -109237.8306 299.0229 22.7872 54.4405 763104.4957 -0.9023 -0.5870 PRESSURE: 3300600 -322.802 247.41 -259.657 247.409 -440.439 -115.334 -259.656 -115.334 249.719 GPRESSURE: 3300600 -309.353 281.55 -208.506 129.056 -325.368 -101.051 -106.673 -107.378 208.881 PRESSAVG: 3300600 4.88079 4.71253 6.08798 4.7125 -45.1222 -19.127 6.08793 -19.1269 5.3538 GPRESSAVG: 3300600 3.30034 3.78456 6.94343 6.20722 -43.5909 -20.5031 4.74509 -18.4475 5.15578 TIMING: 3300600 CPU: 10430.8, 0.00316396/step Wall: 10430.8, 0.00316396/step, 1.49356 hours remaining, 238.355469 MB of memory in use. ENERGY: 3300600 4016.4112 20577.2500 14385.7113 234.7421 -203609.5755 2693.4185 0.0000 0.0000 51934.9897 -109767.0528 298.4711 -161702.0425 -109410.0898 298.8468 -171.1741 -141.9469 763843.1022 -11.6292 -11.7116 PRESSURE: 3300800 -446.506 -34.3636 31.3918 -34.3634 -364.828 -104.635 31.3916 -104.633 -271.189 GPRESSURE: 3300800 -474.377 -83.7134 -29.884 -26.4141 -197.545 -47.5762 40.2717 -55.2999 -298.362 PRESSAVG: 3300800 26.2558 -1.0006 23.0109 -1.00059 -56.5449 9.98884 23.0109 9.9889 14.9387 GPRESSAVG: 3300800 27.2116 -0.0874835 23.2032 -2.9625 -56.5655 11.0039 21.9855 8.25531 14.0431 TIMING: 3300800 CPU: 10431.4, 0.00315191/step Wall: 10431.4, 0.00315191/step, 1.4877 hours remaining, 238.355469 MB of memory in use. ENERGY: 3300800 4036.7595 20565.0050 14460.1394 238.3777 -203718.7256 2542.3371 0.0000 0.0000 52042.3206 -109833.7863 299.0879 -161876.1069 -109472.0196 298.8296 -360.8412 -323.4279 762091.7604 -5.1168 -5.1036 PRESSURE: 3301000 287.691 -202.018 25.1425 -202.018 211.603 -249.309 25.1429 -249.308 -139.928 GPRESSURE: 3301000 298.188 -99.5613 94.4047 -158.986 301.085 -286.783 42.1849 -95.2456 -150.515 PRESSAVG: 3301000 60.0148 -18.3833 32.7821 -18.3833 -37.9232 14.3751 32.7821 14.3751 7.10139 GPRESSAVG: 3301000 59.9904 -19.7118 32.8207 -17.0554 -38.1508 15.3396 32.9843 14.6636 6.23453 TIMING: 3301000 CPU: 10432.1, 0.00317266/step Wall: 10432.1, 0.00317266/step, 1.49732 hours remaining, 238.355469 MB of memory in use. ENERGY: 3301000 3953.4625 20514.1982 14429.0129 227.9314 -204043.7244 2656.1258 0.0000 0.0000 52191.8760 -110071.1176 299.9474 -162262.9936 -109710.6460 298.6672 119.7885 149.5861 758690.3944 9.7310 9.3581 PRESSURE: 3301200 179.399 68.6877 48.2592 68.688 74.3969 242.212 48.259 242.213 34.5745 GPRESSURE: 3301200 207.744 67.4027 -75.7962 -131.634 58.6231 286.744 43.2969 121.842 107.762 PRESSAVG: 3301200 17.7162 51.1227 27.0797 51.1226 -30.7062 -12.9215 27.0797 -12.9215 13.1879 GPRESSAVG: 3301200 17.1381 50.1104 26.5639 50.2685 -31.0057 -13.0075 27.7749 -10.2427 14.1375 TIMING: 3301200 CPU: 10432.7, 0.0031743/step Wall: 10432.7, 0.0031743/step, 1.49792 hours remaining, 238.355469 MB of memory in use. ENERGY: 3301200 3935.1983 20652.1170 14469.9234 235.3599 -203772.9089 2659.6437 0.0000 0.0000 51695.3122 -110125.3543 297.0937 -161820.6665 -109768.5816 298.7564 96.1234 124.7097 760575.7932 0.0660 0.0900 PRESSURE: 3301400 -303.37 -14.1189 -45.3368 -14.1194 -25.7675 106.992 -45.3362 106.992 -75.0746 GPRESSURE: 3301400 -288.689 -78.5899 -60.9333 25.4052 53.2995 162.246 31.3427 98.5548 -102.107 PRESSAVG: 3301400 31.6266 -54.0235 38.5799 -54.0234 -1.44643 25.2184 38.58 25.2183 -15.7508 GPRESSAVG: 3301400 30.8795 -55.3317 37.5641 -52.4321 -1.70679 24.7496 40.329 23.9304 -15.1174 TIMING: 3301400 CPU: 10433.3, 0.00316669/step Wall: 10433.3, 0.00316669/step, 1.49415 hours remaining, 238.355469 MB of memory in use. ENERGY: 3301400 4019.7554 20715.3510 14394.6028 233.6164 -203882.7806 2549.1166 0.0000 0.0000 51725.9396 -110244.3988 297.2697 -161970.3384 -109892.6194 298.3323 -134.7373 -112.4986 760994.7001 4.8098 4.6851 PRESSURE: 3301600 -682.87 46.8417 -23.2866 46.8422 -228.367 -49.4483 -23.2878 -49.4483 -506.432 GPRESSURE: 3301600 -649.07 7.87557 -115.868 59.7706 -151.168 56.2093 -143.393 -71.6364 -537.609 PRESSAVG: 3301600 60.2782 -19.7533 -20.6329 -19.7533 -81.9993 -5.84972 -20.6329 -5.84964 28.4869 GPRESSAVG: 3301600 60.8032 -18.3936 -19.8225 -18.7867 -81.6301 -6.22199 -23.375 -5.17528 27.6126 TIMING: 3301600 CPU: 10434, 0.00314739/step Wall: 10434, 0.00314739/step, 1.48487 hours remaining, 238.355469 MB of memory in use. ENERGY: 3301600 4078.8195 20554.0987 14401.7587 246.3460 -203685.6517 2368.3170 0.0000 0.0000 51737.2485 -110299.0633 297.3347 -162036.3118 -109930.2942 297.9638 -472.5562 -445.9492 760661.7207 2.2553 2.2619 PRESSURE: 3301800 55.4822 182.849 73.1902 182.848 214.793 -94.3329 73.19 -94.3326 48.7641 GPRESSURE: 3301800 -7.21364 108.562 54.7066 70.3986 257.387 -92.6459 132.245 -104.366 147.305 PRESSAVG: 3301800 15.1507 17.5483 -19.2008 17.5483 -14.6817 51.6306 -19.2008 51.6306 -6.69466 GPRESSAVG: 3301800 14.3565 16.9622 -21.2949 16.1864 -14.0953 51.3213 -15.7167 49.9909 -5.82754 TIMING: 3301800 CPU: 10434.6, 0.00315038/step Wall: 10434.6, 0.00315038/step, 1.4861 hours remaining, 238.355469 MB of memory in use. ENERGY: 3301800 3974.3182 20543.3520 14372.0177 250.0536 -204132.8171 2787.4889 0.0000 0.0000 51942.1660 -110263.4206 298.5123 -162205.5866 -109910.8957 297.8804 106.3466 132.4928 760451.9654 -2.0752 -1.8555 PRESSURE: 3302000 -245.122 -6.70009 -25.3784 -6.69947 -173.095 -2.2826 -25.3787 -2.28234 331.166 GPRESSURE: 3302000 -183.43 -15.1446 -100.613 23.4861 -102.76 -15.2348 -60.9737 -17.477 276.728 PRESSAVG: 3302000 6.85957 30.9561 14.1686 30.9561 -27.1744 29.6751 14.1687 29.6752 5.1257 GPRESSAVG: 3302000 7.84473 33.8382 17.0487 30.2867 -28.6165 32.6219 11.1917 31.5165 5.12434 TIMING: 3302000 CPU: 10435.2, 0.00318636/step Wall: 10435.2, 0.00318636/step, 1.5029 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3302000 3951.3735 20378.3844 14399.2580 248.9580 -203521.6915 2625.4296 0.0000 0.0000 51800.5677 -110117.7201 297.6986 -161918.2879 -109755.8441 297.6562 -29.0171 -3.1538 760156.5779 -5.0631 -5.2158 PRESSURE: 3302200 -225.187 94.6319 -16.0896 94.633 -132.852 124.727 -16.0895 124.726 -361.914 GPRESSURE: 3302200 -220.341 124.183 16.3244 193.11 37.5618 4.57005 -17.7079 -26.7878 -435.744 PRESSAVG: 3302200 9.9283 -32.8539 62.4748 -32.8539 14.1282 14.5651 62.4749 14.5652 -23.665 GPRESSAVG: 3302200 9.77598 -35.4357 61.5143 -32.2341 13.7637 11.6242 63.2415 14.502 -23.3004 TIMING: 3302200 CPU: 10435.9, 0.0031637/step Wall: 10435.9, 0.0031637/step, 1.49203 hours remaining, 238.355469 MB of memory in use. ENERGY: 3302200 4031.5559 20386.4495 14425.9160 237.3613 -203379.6857 2516.9090 0.0000 0.0000 51854.3781 -109927.1161 298.0078 -161781.4941 -109567.8785 298.2421 -239.9843 -206.1743 761379.4615 0.1305 0.0797 PRESSURE: 3302400 -404.857 28.4283 107.856 28.4282 -212.801 50.1628 107.856 50.1623 88.3186 GPRESSURE: 3302400 -333.008 145.889 88.5704 58.1736 -173.693 -6.23458 140.314 139.842 68.8988 PRESSAVG: 3302400 -5.10867 33.4337 1.49511 33.4337 -11.9462 46.3124 1.49515 46.3125 -24.6764 GPRESSAVG: 3302400 -5.08271 33.5566 2.14248 32.0202 -12.6244 45.4049 2.55112 44.5814 -23.4986 TIMING: 3302400 CPU: 10436.5, 0.00317304/step Wall: 10436.5, 0.00317304/step, 1.49627 hours remaining, 238.355469 MB of memory in use. ENERGY: 3302400 4037.7342 20413.9613 14441.4187 221.1872 -203374.4211 2406.9132 0.0000 0.0000 52131.6393 -109721.5671 299.6012 -161853.2065 -109360.9705 298.6145 -176.4465 -145.9339 761209.7005 -13.9104 -13.7352 PRESSURE: 3302600 83.8102 26.9161 -31.3086 26.9152 -266.65 -390.353 -31.3083 -390.353 -247.36 GPRESSURE: 3302600 98.838 29.0628 8.26305 95.6307 -203.222 -401.958 -23.5903 -355.417 -267.085 PRESSAVG: 3302600 65.53 34.2373 2.15489 34.2373 -22.5188 -39.0151 2.15495 -39.015 -7.29917 GPRESSAVG: 3302600 65.5484 33.7953 2.49413 35.1472 -22.6284 -37.6172 -0.210679 -37.2775 -7.62508 TIMING: 3302600 CPU: 10437.1, 0.00318966/step Wall: 10437.1, 0.00318966/step, 1.50393 hours remaining, 238.355469 MB of memory in use. ENERGY: 3302600 4031.4030 20527.8316 14489.3347 229.8602 -203534.9835 2474.1935 0.0000 0.0000 52000.1759 -109782.1846 298.8457 -161782.3605 -109427.2360 298.8728 -143.3998 -123.8231 759233.1026 11.9040 11.7650 PRESSURE: 3302800 -144.617 348.555 -115.327 348.555 -175.955 -11.0431 -115.327 -11.043 -115.861 GPRESSURE: 3302800 -68.0225 347.888 -128.359 307.918 -197.525 -75.3141 -44.6791 65.5611 -85.5813 PRESSAVG: 3302800 51.7965 -7.22913 -4.03196 -7.22913 -73.0879 -74.1471 -4.03205 -74.147 -7.65742 GPRESSAVG: 3302800 51.5132 -5.3378 -3.25507 -8.76208 -72.0076 -74.3613 -3.51587 -73.0165 -8.325 TIMING: 3302800 CPU: 10437.8, 0.00316338/step Wall: 10437.8, 0.00316338/step, 1.49136 hours remaining, 238.355469 MB of memory in use. ENERGY: 3302800 3937.5701 20469.8750 14401.5584 245.5749 -203864.6407 2961.4174 0.0000 0.0000 52064.2816 -109784.3632 299.2141 -161848.6448 -109427.6132 298.3401 -145.4776 -117.0429 759559.2016 -9.6496 -9.6065 PRESSURE: 3303000 -63.4775 -75.4663 -99.2222 -75.4651 -281.138 131.73 -99.2219 131.731 -540.851 GPRESSURE: 3303000 -69.3901 -117.153 -173.521 -42.8809 -273.717 172.334 -57.564 203.478 -478.803 PRESSAVG: 3303000 16.2344 26.2014 -24.7908 26.2015 19.7429 -6.68395 -24.7909 -6.68399 1.722 GPRESSAVG: 3303000 15.571 25.4783 -25.7375 28.082 21.3132 -7.31776 -24.1203 -8.23852 0.877257 TIMING: 3303000 CPU: 10438.4, 0.00319338/step Wall: 10438.4, 0.00319338/step, 1.50532 hours remaining, 238.355469 MB of memory in use. ENERGY: 3303000 4028.5769 20519.1940 14358.6920 215.0137 -203437.9408 2623.9450 0.0000 0.0000 52020.1741 -109672.3452 298.9607 -161692.5193 -109315.9728 298.7266 -295.1555 -273.9700 761205.8917 12.5664 12.5871 PRESSURE: 3303200 -19.9508 120.436 46.4945 120.435 -59.5565 -189.529 46.4935 -189.53 -8.54862 GPRESSURE: 3303200 71.7996 133.307 30.9007 47.439 -109.367 -167.522 54.2982 -308.008 22.7203 PRESSAVG: 3303200 55.2828 16.156 28.0817 16.156 -70.5215 -53.5871 28.0817 -53.5872 -3.56836 GPRESSAVG: 3303200 55.659 17.5448 26.1747 14.6013 -71.4846 -52.7719 27.945 -55.317 -2.83568 TIMING: 3303200 CPU: 10439, 0.00314979/step Wall: 10439, 0.00314979/step, 1.4846 hours remaining, 238.355469 MB of memory in use. ENERGY: 3303200 4024.4582 20695.2804 14420.3711 256.2994 -203609.0133 2797.4285 0.0000 0.0000 51998.3835 -109416.7921 298.8354 -161415.1756 -109065.5566 299.3549 -29.3520 -4.9491 762047.1316 -6.2690 -6.2204 PRESSURE: 3303400 684.549 75.8763 33.9044 75.8763 -78.1883 -153.47 33.9049 -153.47 104.872 GPRESSURE: 3303400 607.511 24.4023 49.1978 110.996 28.3928 -163.328 -166.32 -94.0824 168.754 PRESSAVG: 3303400 78.3764 10.8357 20.9537 10.8357 -12.9196 -31.8617 20.9537 -31.8618 -0.353887 GPRESSAVG: 3303400 78.1701 10.6162 22.2469 9.95784 -13.4038 -32.6468 21.6683 -30.9833 0.0225879 TIMING: 3303400 CPU: 10439.7, 0.00313394/step Wall: 10439.7, 0.00313394/step, 1.47696 hours remaining, 238.355469 MB of memory in use. ENERGY: 3303400 3961.8025 20518.1595 14404.9259 255.7874 -204002.9139 2901.8413 0.0000 0.0000 52380.8735 -109579.5238 301.0336 -161960.3973 -109221.9723 299.5583 237.0774 268.2192 760131.4785 21.7009 21.5963 PRESSURE: 3303600 107.779 51.4464 -91.1755 51.4464 129.917 -108.898 -91.1748 -108.898 -182.208 GPRESSURE: 3303600 231.537 -5.591 -136.617 90.573 57.5076 -106.285 -4.03075 -145.333 -155.87 PRESSAVG: 3303600 68.629 10.2069 6.9632 10.2069 -96.1979 -3.00855 6.96319 -3.00862 -9.48834 GPRESSAVG: 3303600 68.3484 9.4163 6.91778 11.5142 -95.5611 -3.54026 5.60045 -2.46585 -9.87922 TIMING: 3303600 CPU: 10440.3, 0.00317363/step Wall: 10440.3, 0.00317363/step, 1.49548 hours remaining, 238.355469 MB of memory in use. ENERGY: 3303600 4057.9609 20454.6347 14386.0678 237.5128 -203765.5862 2786.5217 0.0000 0.0000 52283.5765 -109559.3117 300.4744 -161842.8882 -109209.7255 299.4900 18.4960 44.3915 760155.9409 -12.3524 -12.3640 PRESSURE: 3303800 106.666 -124.174 -118.774 -124.174 -140.893 -35.7207 -118.774 -35.7207 260.296 GPRESSURE: 3303800 143.114 -95.7166 -52.7139 -71.4445 -114.244 19.7675 -52.9631 -24.7621 289.799 PRESSAVG: 3303800 61.4856 -7.15137 13.5256 -7.15138 -55.3888 30.2205 13.5256 30.2204 -9.4367 GPRESSAVG: 3303800 62.7699 -6.18027 12.2806 -6.56328 -55.909 31.2697 15.0507 29.5581 -9.96894 TIMING: 3303800 CPU: 10440.9, 0.00314136/step Wall: 10440.9, 0.00314136/step, 1.4801 hours remaining, 238.355469 MB of memory in use. ENERGY: 3303800 3974.5183 20360.5612 14473.3891 257.1407 -203499.9091 2724.9304 0.0000 0.0000 52172.9944 -109536.3750 299.8389 -161709.3693 -109169.0127 299.0676 75.3566 106.2231 761435.6574 -1.1133 -1.0360 PRESSURE: 3304000 379.12 -155.515 -385.808 -155.516 164.718 -64.9141 -385.808 -64.9141 320.912 GPRESSURE: 3304000 392.495 -180.025 -402.745 -189.301 212.195 -0.522338 -332.022 -230.881 349.611 PRESSAVG: 3304000 -16.6088 -23.9553 -22.106 -23.9554 -1.37908 25.5135 -22.1059 25.5135 8.49097 GPRESSAVG: 3304000 -17.0253 -25.7202 -20.5061 -24.9483 -1.21845 24.7358 -24.1817 26.1878 8.61675 TIMING: 3304000 CPU: 10441.6, 0.00312933/step Wall: 10441.6, 0.00312933/step, 1.47426 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3304000 3935.7538 20505.8093 14474.3368 248.6374 -203490.9450 2659.9665 0.0000 0.0000 52140.0411 -109526.4001 299.6495 -161666.4412 -109169.5916 299.2809 288.2503 318.1006 760248.4322 -3.1656 -3.2090 PRESSURE: 3304200 -277.027 -43.9383 280.787 -43.9378 42.4634 12.2134 280.787 12.2133 -503.37 GPRESSURE: 3304200 -207.002 20.9678 257.338 -83.8801 -2.8407 -30.7442 289.889 0.931734 -458.251 PRESSAVG: 3304200 -2.65361 -30.7788 -18.9179 -30.7788 -6.67651 -17.0107 -18.9178 -17.0107 1.75066 GPRESSAVG: 3304200 -1.44365 -30.2067 -19.365 -30.72 -7.72686 -15.4992 -19.0058 -16.3915 1.25891 TIMING: 3304200 CPU: 10442.2, 0.00318582/step Wall: 10442.2, 0.00318581/step, 1.5007 hours remaining, 238.355469 MB of memory in use. ENERGY: 3304200 3972.9694 20354.7959 14500.8891 236.6375 -203428.0652 2608.2211 0.0000 0.0000 52174.7850 -109579.7673 299.8492 -161754.5523 -109210.2673 298.8228 -245.9777 -222.6979 761549.7202 -2.5265 -2.6372 LDB: ============= START OF LOAD BALANCING ============== 10454.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10454.6 LDB: =============== DONE WITH MIGRATION ================ 10454.6 LDB: ============= START OF LOAD BALANCING ============== 10454.9 LDB: Largest compute 7033 load 0.032700 is 16.7% of average load 0.196105 LDB: Average compute 0.004388 is 2.2% of average load 0.196105 LDB: TIME 10454.9 LOAD: AVG 0.196105 MAX 0.214196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 10454.9 LOAD: AVG 0.196105 MAX 0.214196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.82 MB LDB: TIME 10454.9 LOAD: AVG 0.196105 MAX 0.214196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.82 MB LDB: ============== END OF LOAD BALANCING =============== 10454.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10454.9 PRESSURE: 3304400 -31.4662 43.8777 31.5587 43.8776 54.3791 13.8899 31.5591 13.8902 66.0659 GPRESSURE: 3304400 26.1461 73.9192 -2.68613 112.405 145.878 41.2847 -12.1681 -52.6774 2.59497 PRESSAVG: 3304400 -22.269 -23.0969 -73.9313 -23.0969 16.827 -1.35528 -73.9314 -1.35519 9.31601 GPRESSAVG: 3304400 -23.2884 -24.6844 -73.6329 -23.3686 17.5759 -0.648752 -72.7401 -1.77628 9.36708 TIMING: 3304400 CPU: 10442.8, 0.00326828/step Wall: 10442.8, 0.00326828/step, 1.53936 hours remaining, 239.382812 MB of memory in use. ENERGY: 3304400 3973.9560 20418.5614 14505.5880 249.3002 -203709.8979 2885.5553 0.0000 0.0000 52097.8075 -109579.1295 299.4068 -161676.9370 -109230.2304 299.3624 29.6596 58.2065 761017.7411 1.2913 1.2182 PRESSURE: 3304600 55.7196 -119.5 -17.3271 -119.501 -7.09233 -58.8918 -17.3257 -58.8913 376.194 GPRESSURE: 3304600 78.3288 -131.908 -129.908 -99.8781 78.6212 -84.5806 -1.40289 -42.9824 358.128 PRESSAVG: 3304600 18.2888 -14.269 -40.5647 -14.269 -40.4738 -44.2837 -40.5647 -44.2837 -3.18727 GPRESSAVG: 3304600 18.8725 -13.8355 -40.5586 -14.2875 -40.5734 -45.9944 -40.4246 -45.1078 -3.59757 TIMING: 3304600 CPU: 10443.5, 0.00317077/step Wall: 10443.5, 0.00317077/step, 1.49326 hours remaining, 239.382812 MB of memory in use. ENERGY: 3304600 3953.7872 20469.0385 14444.7368 240.3153 -203401.8701 2552.6156 0.0000 0.0000 52208.8822 -109532.4945 300.0452 -161741.3767 -109171.5794 298.9687 141.6072 171.6928 761248.9048 -8.4574 -8.4328 PRESSURE: 3304800 -192.045 -88.8672 86.79 -88.8673 -315.971 121.804 86.7898 121.805 -130.406 GPRESSURE: 3304800 -189.148 -179.409 129.842 -67.1536 -256.28 30.9717 55.8376 94.5513 -127.302 PRESSAVG: 3304800 -7.23662 3.73803 -19.9656 3.738 -37.0685 -22.8213 -19.9656 -22.8213 26.0616 GPRESSAVG: 3304800 -7.28895 5.40883 -20.4317 5.49226 -37.5539 -23.5189 -19.9858 -21.0346 26.4166 TIMING: 3304800 CPU: 10444.1, 0.0031486/step Wall: 10444.1, 0.0031486/step, 1.48264 hours remaining, 239.382812 MB of memory in use. ENERGY: 3304800 4063.6953 20438.2407 14455.6525 238.5153 -203455.0892 2657.1999 0.0000 0.0000 51961.4813 -109640.3042 298.6233 -161601.7855 -109274.0700 299.1926 -212.8073 -190.9101 761837.8913 -6.0812 -6.1421 PRESSURE: 3305000 -218.257 40.9649 -139.118 40.9658 -63.9255 -235.739 -139.118 -235.74 -526.105 GPRESSURE: 3305000 -154.249 -45.9283 -155.076 -39.6838 -66.7799 -269.421 -27.7448 -91.2919 -515.624 PRESSAVG: 3305000 -2.72961 -25.8784 -58.558 -25.8784 -15.4131 -3.97221 -58.558 -3.97219 -8.09931 GPRESSAVG: 3305000 -2.95343 -24.7281 -58.8921 -28.407 -15.6004 -2.74744 -58.3618 -4.56535 -7.61193 TIMING: 3305000 CPU: 10444.7, 0.00313802/step Wall: 10444.7, 0.00313802/step, 1.47749 hours remaining, 239.382812 MB of memory in use. ENERGY: 3305000 4039.0193 20630.7298 14448.2739 249.5100 -203451.7165 2553.5390 0.0000 0.0000 52017.1570 -109513.4874 298.9433 -161530.6445 -109146.0706 299.6039 -269.4291 -245.5507 762066.0249 -8.7473 -8.7219 PRESSURE: 3305200 -243.527 36.7409 -2.03046 36.7415 -251.149 244.942 -2.03091 244.942 281.986 GPRESSURE: 3305200 -141.081 51.5856 -44.1684 67.4116 -277.488 298.576 157.834 190.061 261.127 PRESSAVG: 3305200 43.3337 -18.804 -18.222 -18.804 -49.5205 25.2918 -18.2221 25.2916 -2.98468 GPRESSAVG: 3305200 43.2901 -19.7826 -17.8203 -18.1566 -48.6208 25.3374 -18.0419 24.9799 -3.48457 TIMING: 3305200 CPU: 10445.4, 0.00313873/step Wall: 10445.4, 0.00313873/step, 1.47765 hours remaining, 239.382812 MB of memory in use. ENERGY: 3305200 4001.0638 20633.7091 14428.3350 237.9271 -203736.7297 2864.5863 0.0000 0.0000 52097.9962 -109473.1122 299.4079 -161571.1084 -109114.8524 299.1778 -70.8967 -52.4807 762039.8062 -3.0572 -2.9384 PRESSURE: 3305400 -258.719 87.7689 -2.23479 87.7682 -262.726 -49.7262 -2.23548 -49.726 -356.387 GPRESSURE: 3305400 -238.598 115.622 -60.6743 96.563 -209.405 -67.9579 35.8515 -53.4212 -359.582 PRESSAVG: 3305400 15.4128 17.1024 -50.3947 17.1024 -34.0797 32.4277 -50.3947 32.4276 -6.81671 GPRESSAVG: 3305400 15.3092 16.9367 -50.8107 18.0802 -34.4089 31.3923 -50.019 33.2917 -6.32272 TIMING: 3305400 CPU: 10446, 0.00316151/step Wall: 10446, 0.00316151/step, 1.48819 hours remaining, 239.382812 MB of memory in use. ENERGY: 3305400 4043.9080 20365.8220 14483.2177 251.1519 -203486.7495 2520.1753 0.0000 0.0000 52290.8239 -109531.6506 300.5161 -161822.4746 -109170.7402 299.1582 -292.6106 -269.1949 760599.4412 -8.4945 -8.4741 PRESSURE: 3305600 -141.757 -24.6778 20.9357 -24.678 277.791 -90.0971 20.9351 -90.0964 -122.174 GPRESSURE: 3305600 -50.5773 -102.318 -25.769 4.14597 254.088 -51.7387 -30.6891 -18.8723 -88.6743 PRESSAVG: 3305600 2.61805 9.36479 0.856526 9.36481 -8.89228 38.0853 0.856539 38.0852 -3.55601 GPRESSAVG: 3305600 2.56903 9.33175 0.674385 8.71687 -8.57245 37.5916 -0.00506787 39.2271 -3.68256 TIMING: 3305600 CPU: 10446.6, 0.00313269/step Wall: 10446.6, 0.00313269/step, 1.47445 hours remaining, 239.382812 MB of memory in use. ENERGY: 3305600 3982.6176 20644.2739 14443.4871 244.1427 -203042.5832 2273.7651 0.0000 0.0000 52124.1838 -109330.1131 299.5584 -161454.2969 -108967.7402 299.1161 4.6198 38.2787 760947.7445 -3.2767 -3.2287 PRESSURE: 3305800 50.1645 66.8054 -73.6715 66.8051 -42.7729 13.5448 -73.6718 13.5439 -18.6022 GPRESSURE: 3305800 188.463 -92.5472 4.13368 8.55512 -50.6132 15.1278 -117.246 -24.4541 -56.1594 PRESSAVG: 3305800 -12.2619 5.18209 -51.9513 5.18212 -9.4485 -15.4362 -51.9513 -15.4361 -5.29479 GPRESSAVG: 3305800 -11.7334 5.23455 -51.9526 6.78089 -9.97953 -13.1076 -51.6709 -18.8827 -4.9258 TIMING: 3305800 CPU: 10447.3, 0.00313467/step Wall: 10447.3, 0.00313467/step, 1.47521 hours remaining, 239.382812 MB of memory in use. ENERGY: 3305800 4022.7242 20436.1952 14434.0735 240.2183 -203514.4360 2772.2525 0.0000 0.0000 52143.5907 -109465.3815 299.6699 -161608.9722 -109102.4187 299.5335 -3.7369 27.2302 761017.3320 -9.0017 -8.8796 PRESSURE: 3306000 -377.07 -97.4262 87.3088 -97.4255 -115.55 181.329 87.3086 181.33 98.2977 GPRESSURE: 3306000 -391.316 -8.05568 133.645 -161.064 -6.46977 91.9808 -47.3979 138.406 95.4588 PRESSAVG: 3306000 -24.6732 17.9087 9.69692 17.9086 -1.49705 46.3945 9.69688 46.3945 7.77155 GPRESSAVG: 3306000 -24.4178 19.4386 9.82413 14.9543 -1.99099 44.0632 8.44991 47.8376 7.48336 TIMING: 3306000 CPU: 10447.9, 0.00314193/step Wall: 10447.9, 0.00314193/step, 1.47845 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3306000 4004.2877 20462.7162 14440.6965 236.9723 -202929.8668 2216.4248 0.0000 0.0000 52137.8129 -109430.9566 299.6367 -161568.7694 -109056.3447 299.5224 -131.4406 -100.7755 762324.0218 -6.1329 -6.3085 PRESSURE: 3306200 -184.267 40.3615 -18.9413 40.3617 -193.634 127.185 -18.941 127.185 -89.8836 GPRESSURE: 3306200 -105.681 -58.8215 75.4032 -19.9645 -198.896 92.534 24.9025 122.163 -88.715 PRESSAVG: 3306200 -32.2071 25.6472 -6.19157 25.6471 9.17949 5.05437 -6.19159 5.05438 39.045 GPRESSAVG: 3306200 -32.8474 22.0833 -6.73917 28.4662 9.45475 4.60905 -3.51061 5.33796 39.0849 TIMING: 3306200 CPU: 10448.5, 0.00317264/step Wall: 10448.5, 0.00317265/step, 1.49273 hours remaining, 239.382812 MB of memory in use. ENERGY: 3306200 4019.0741 20483.3978 14425.3192 235.3714 -203488.0466 2571.2848 0.0000 0.0000 52414.2764 -109339.3229 301.2256 -161753.5993 -108972.5283 299.6304 -155.9284 -131.0975 762323.6382 5.3391 5.2308 PRESSURE: 3306400 -305.33 54.9885 -39.5075 54.9888 -17.6735 91.1716 -39.5072 91.1717 -70.7573 GPRESSURE: 3306400 -230.279 57.7668 -71.8423 -38.8072 -44.7156 75.6605 -46.5939 132.471 -32.3378 PRESSAVG: 3306400 -58.0895 -13.5902 -68.9926 -13.5902 26.2916 32.4247 -68.9927 32.4248 -29.4478 GPRESSAVG: 3306400 -58.977 -12.1205 -67.4196 -16.3368 27.2244 33.923 -70.0505 32.0144 -29.7068 TIMING: 3306400 CPU: 10449.1, 0.00315067/step Wall: 10449.1, 0.00315067/step, 1.48222 hours remaining, 239.382812 MB of memory in use. ENERGY: 3306400 4021.2761 20583.8522 14487.8254 252.5761 -203259.8268 2693.6769 0.0000 0.0000 51917.6623 -109302.9579 298.3715 -161220.6202 -108933.1891 299.5556 -131.2537 -102.4440 763910.6029 -20.4152 -20.4865 PRESSURE: 3306600 27.2665 -18.937 -52.3036 -18.9373 -410.458 -132.591 -52.3034 -132.592 -27.3162 GPRESSURE: 3306600 60.5797 -99.7192 20.1786 47.7937 -338.317 -171.276 -135.005 -70.4294 -65.1504 PRESSAVG: 3306600 51.1959 -26.8996 -27.7493 -26.8997 -33.0735 43.0541 -27.7493 43.0541 14.5796 GPRESSAVG: 3306600 52.3031 -23.8735 -28.0572 -25.5775 -34.0055 42.962 -28.8052 44.1626 14.4832 TIMING: 3306600 CPU: 10449.8, 0.00312572/step Wall: 10449.8, 0.00312572/step, 1.47031 hours remaining, 239.382812 MB of memory in use. ENERGY: 3306600 3911.2156 20570.5604 14511.6121 254.8903 -203503.2530 2351.3947 0.0000 0.0000 52225.8889 -109677.6908 300.1429 -161903.5798 -109315.6120 299.5932 -136.8360 -114.2958 760814.3882 10.9007 10.9269 PRESSURE: 3306800 5.47125 -212.977 44.3384 -212.977 -189.363 -321.01 44.3394 -321.01 73.0825 GPRESSURE: 3306800 -81.5207 -246.045 69.186 -129.4 -19.0917 -259.755 86.5127 -264.883 96.0562 PRESSAVG: 3306800 50.1162 16.4119 -24.9053 16.4119 -26.0433 27.7025 -24.9052 27.7024 -14.121 GPRESSAVG: 3306800 49.3541 11.9932 -25.7969 17.5891 -25.8305 28.576 -24.0734 25.9843 -13.8336 TIMING: 3306800 CPU: 10450.4, 0.00315649/step Wall: 10450.4, 0.00315649/step, 1.4846 hours remaining, 239.382812 MB of memory in use. ENERGY: 3306800 3996.9452 20590.2626 14495.9770 245.2244 -203884.9455 2909.9557 0.0000 0.0000 52116.3064 -109530.2743 299.5131 -161646.5806 -109168.8705 299.3111 -36.9363 -1.5187 761454.3406 3.3173 3.2300 PRESSURE: 3307000 58.615 17.3977 37.9913 17.397 130.596 -2.94164 37.9922 -2.94157 -122.568 GPRESSURE: 3307000 125.267 -26.431 5.7489 -5.24799 114.945 -43.9837 -28.3674 94.955 -95.4515 PRESSAVG: 3307000 29.2762 -14.9441 -49.934 -14.9441 -5.05165 -14.1452 -49.934 -14.145 -1.25729 GPRESSAVG: 3307000 28.7277 -12.2778 -49.7442 -17.5592 -3.7835 -14.247 -49.672 -12.9108 -1.64896 TIMING: 3307000 CPU: 10451, 0.00319647/step Wall: 10451, 0.00319647/step, 1.50323 hours remaining, 239.382812 MB of memory in use. ENERGY: 3307000 4051.7090 20572.2248 14415.8470 256.7686 -203484.3079 2620.3335 0.0000 0.0000 52070.9171 -109496.5078 299.2523 -161567.4249 -109133.9862 299.3967 22.2144 48.2536 762182.0191 7.6558 7.7651 PRESSURE: 3307200 193.367 202.434 -172.726 202.435 -245.953 -199.225 -172.726 -199.224 -85.7783 GPRESSURE: 3307200 288.326 147.842 -185.868 155.05 -235.675 -248.712 -123.711 -179.907 -86.1546 PRESSAVG: 3307200 43 -12.1445 -51.0368 -12.1445 -35.896 -72.2489 -51.0368 -72.2488 23.3701 GPRESSAVG: 3307200 43.8937 -12.6941 -50.9285 -10.7701 -37.4817 -72.2513 -51.3318 -74.022 24.2232 TIMING: 3307200 CPU: 10451.7, 0.00316451/step Wall: 10451.7, 0.00316451/step, 1.48802 hours remaining, 239.382812 MB of memory in use. ENERGY: 3307200 4010.4386 20547.7845 14462.8685 236.1898 -203096.4668 2370.4388 0.0000 0.0000 51946.0606 -109522.6860 298.5347 -161468.7466 -109169.6583 299.3464 -46.1215 -11.1678 761445.3980 10.1581 10.2117 PRESSURE: 3307400 -80.0001 -133.041 -113.987 -133.039 364.954 51.1576 -113.987 51.1579 -21.336 GPRESSURE: 3307400 -51.223 -43.4529 -39.1665 -48.3539 402.634 44.6987 -137.407 -16.2842 3.10082 PRESSAVG: 3307400 -3.6223 11.2975 -75.5552 11.2976 -7.54911 -24.4447 -75.5553 -24.4447 36.4221 GPRESSAVG: 3307400 -4.55722 9.85484 -73.925 12.7729 -6.39108 -26.0291 -76.4437 -25.4997 36.4178 TIMING: 3307400 CPU: 10452.3, 0.00319346/step Wall: 10452.3, 0.00319346/step, 1.50146 hours remaining, 239.382812 MB of memory in use. ENERGY: 3307400 4013.8353 20311.0500 14438.2148 264.0059 -203498.4370 2669.7284 0.0000 0.0000 52207.5821 -109594.0204 300.0377 -161801.6025 -109226.1924 299.3115 87.8725 118.1707 761691.2848 8.4169 8.4898 PRESSURE: 3307600 -143.819 -26.0872 202.655 -26.0869 -175.776 -14.1387 202.655 -14.1395 -16.8498 GPRESSURE: 3307600 -152.232 -38.4784 230.446 -61.6623 -91.6554 24.9092 205.615 66.7051 -1.83172 PRESSAVG: 3307600 -88.8423 -56.8127 -33.928 -56.8127 46.4402 6.6957 -33.928 6.6957 22.1098 GPRESSAVG: 3307600 -89.4244 -52.9273 -34.8143 -58.801 46.4776 8.34143 -33.5605 8.5476 22.1759 TIMING: 3307600 CPU: 10452.9, 0.00313996/step Wall: 10452.9, 0.00313996/step, 1.47613 hours remaining, 239.382812 MB of memory in use. ENERGY: 3307600 3956.9476 20443.6778 14411.8679 259.7112 -203549.9542 2628.5470 0.0000 0.0000 52041.0112 -109808.1914 299.0804 -161849.2026 -109430.2025 298.5726 -112.1482 -81.9063 762072.4222 -6.7641 -6.9236 PRESSURE: 3307800 -180.388 -94.8634 -32.0299 -94.8631 -162.887 -52.4269 -32.03 -52.4268 -255.621 GPRESSURE: 3307800 -160.155 -107.186 -1.10073 -43.4452 -147.12 -124.191 26.718 17.3023 -215.982 PRESSAVG: 3307800 -0.421619 -50.5856 52.9064 -50.5856 13.2664 -8.89494 52.9063 -8.8948 11.4613 GPRESSAVG: 3307800 1.37228 -52.2489 51.524 -50.4784 12.3199 -8.81176 54.4684 -8.22594 10.3573 TIMING: 3307800 CPU: 10453.6, 0.0031462/step Wall: 10453.6, 0.0031462/step, 1.47889 hours remaining, 239.382812 MB of memory in use. ENERGY: 3307800 4009.6866 20541.6180 14407.1914 228.3116 -203438.5988 2451.4411 0.0000 0.0000 51856.5764 -109943.7737 298.0205 -161800.3501 -109581.4925 298.6180 -199.6321 -174.4189 761377.6526 8.1020 8.0165 PRESSURE: 3308000 -34.2292 200.467 67.8148 200.467 164.526 -90.2387 67.8151 -90.238 -401.059 GPRESSURE: 3308000 20.5068 88.3004 62.9615 103.124 231.538 -122.626 127.618 -158.289 -441.172 PRESSAVG: 3308000 -21.281 -10.8008 -7.36817 -10.8008 83.3259 -42.4043 -7.36815 -42.4044 -4.21146 GPRESSAVG: 3308000 -22.0118 -12.5271 -5.12117 -12.612 84.4015 -41.8548 -7.25774 -41.4896 -4.6303 TIMING: 3308000 CPU: 10454.2, 0.00313852/step Wall: 10454.2, 0.00313852/step, 1.47511 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3308000 4024.4433 20440.2105 14393.2861 253.4910 -203780.7190 2602.5175 0.0000 0.0000 51855.7779 -110210.9927 298.0159 -162066.7706 -109850.5160 298.4135 -90.2542 -63.0423 760693.1043 19.2778 19.2531 PRESSURE: 3308200 -205.006 75.7532 -169.152 75.7531 -127.307 -47.3656 -169.152 -47.3653 -406.31 GPRESSURE: 3308200 -290.781 25.6985 -118.578 65.7265 -54.5467 16.0632 -96.7823 55.7556 -296.95 PRESSAVG: 3308200 28.0096 -30.3884 -37.7984 -30.3884 33.9921 -33.1402 -37.7984 -33.1403 -6.34422 GPRESSAVG: 3308200 26.8541 -31.8708 -38.4151 -26.9189 34.5914 -34.2014 -38.8748 -34.2758 -6.08557 TIMING: 3308200 CPU: 10454.8, 0.00317971/step Wall: 10454.8, 0.00317971/step, 1.49429 hours remaining, 239.382812 MB of memory in use. ENERGY: 3308200 4052.8053 20457.3310 14416.3670 250.8039 -203982.2126 2646.5766 0.0000 0.0000 51821.4270 -110336.9019 297.8185 -162158.3288 -109985.4757 297.8289 -246.2077 -214.0925 761687.2714 18.5525 18.4533 LDB: ============= START OF LOAD BALANCING ============== 10467.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10467.2 LDB: =============== DONE WITH MIGRATION ================ 10467.2 LDB: ============= START OF LOAD BALANCING ============== 10467.6 LDB: Largest compute 7033 load 0.032393 is 16.5% of average load 0.196115 LDB: Average compute 0.004382 is 2.2% of average load 0.196115 LDB: TIME 10467.6 LOAD: AVG 0.196115 MAX 0.214517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 10467.6 LOAD: AVG 0.196115 MAX 0.214517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: TIME 10467.6 LOAD: AVG 0.196115 MAX 0.214517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: ============== END OF LOAD BALANCING =============== 10467.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10467.6 PRESSURE: 3308400 -177.623 22.7232 -72.0952 22.7222 -73.8999 -57.7076 -72.0947 -57.7075 23.9486 GPRESSURE: 3308400 -166.583 -18.4254 -134.505 127.847 -37.4802 -1.35321 -40.5944 -0.0442131 52.2789 PRESSAVG: 3308400 10.3225 -32.2155 -61.3653 -32.2155 -51.4611 5.24946 -61.3653 5.24945 14.3214 GPRESSAVG: 3308400 11.7677 -30.367 -62.132 -31.8972 -53.4529 5.61299 -59.7207 7.08709 14.9746 TIMING: 3308400 CPU: 10455.5, 0.00324116/step Wall: 10455.5, 0.00324116/step, 1.52298 hours remaining, 237.640625 MB of memory in use. ENERGY: 3308400 4009.0073 20646.4503 14506.2445 239.4088 -204088.0519 2704.7567 0.0000 0.0000 51704.5609 -110277.6234 297.1468 -161982.1843 -109915.5973 298.0328 -75.8580 -50.5949 760982.5997 -8.9391 -8.9036 PRESSURE: 3308600 -49.9578 -146.485 247.547 -146.484 -162.662 -57.9948 247.546 -57.9945 36.5055 GPRESSURE: 3308600 30.7386 -66.261 234.768 -169.9 -225.904 -57.5661 272.696 -37.0156 103.407 PRESSAVG: 3308600 29.6566 -72.2362 -27.0544 -72.2363 -28.0165 -15.3694 -27.0544 -15.3695 -13.2995 GPRESSAVG: 3308600 28.6463 -72.1034 -26.3784 -73.9588 -28.1636 -14.9787 -29.4583 -15.7223 -12.4809 TIMING: 3308600 CPU: 10456.1, 0.00315259/step Wall: 10456.1, 0.00315259/step, 1.48119 hours remaining, 237.640625 MB of memory in use. ENERGY: 3308600 3962.8318 20390.3728 14435.5695 241.4204 -203580.4522 2406.5352 0.0000 0.0000 52034.7934 -110108.9293 299.0447 -162143.7226 -109737.7282 297.8618 -58.7049 -30.5861 760991.3923 -3.8865 -3.9994 PRESSURE: 3308800 -185.662 152.468 72.2369 152.468 -429.951 3.37833 72.2365 3.37674 -232.525 GPRESSURE: 3308800 -204.205 122.159 167.657 236.965 -302.678 17.48 -40.7359 -38.8541 -279.463 PRESSAVG: 3308800 11.7202 -19.1869 14.3803 -19.1869 -37.0764 7.24345 14.3803 7.24343 -11.1244 GPRESSAVG: 3308800 12.47 -20.4529 13.5511 -16.773 -36.6368 7.22256 13.6808 5.57962 -11.9525 TIMING: 3308800 CPU: 10456.7, 0.00315671/step Wall: 10456.7, 0.00315671/step, 1.48295 hours remaining, 237.640625 MB of memory in use. ENERGY: 3308800 4005.4891 20480.7565 14438.1422 250.7614 -203083.4371 2308.1452 0.0000 0.0000 51564.7270 -110035.4156 296.3432 -161600.1426 -109680.0510 297.7647 -282.7126 -262.1156 762666.5693 -12.1602 -12.0398 PRESSURE: 3309000 -360.527 19.1129 37.836 19.1122 -68.8561 115.787 37.8366 115.788 -433.749 GPRESSURE: 3309000 -286.508 -87.1161 8.19252 38.6609 -31.7888 74.8015 77.0041 119.816 -474.19 PRESSAVG: 3309000 -2.18074 -7.19343 41.057 -7.19339 -21.2583 26.1478 41.057 26.1478 -6.14575 GPRESSAVG: 3309000 -1.55767 -7.11876 41.8469 -10.508 -22.0825 25.3404 42.8675 25.9387 -6.05463 TIMING: 3309000 CPU: 10457.4, 0.00314394/step Wall: 10457.4, 0.00314394/step, 1.47678 hours remaining, 237.640625 MB of memory in use. ENERGY: 3309000 3975.1874 20441.6235 14450.2836 249.6547 -203605.8331 2576.0279 0.0000 0.0000 52177.7036 -109735.3523 299.8660 -161913.0559 -109373.9930 298.0341 -287.7109 -264.1622 763452.9978 -9.8616 -9.8983 PRESSURE: 3309200 -3.22899 113.38 127.289 113.379 -383.054 106.293 127.289 106.293 -385.089 GPRESSURE: 3309200 -17.2301 76.3722 68.4551 128.545 -309.917 92.083 -55.4112 72.2856 -351.309 PRESSAVG: 3309200 -11.3532 -25.4871 12.1019 -25.4871 -22.3262 15.5684 12.1019 15.5684 -35.8372 GPRESSAVG: 3309200 -11.7556 -25.5291 13.6611 -22.7774 -21.8119 16.4378 9.94191 17.417 -35.7384 TIMING: 3309200 CPU: 10458, 0.00315572/step Wall: 10458, 0.00315572/step, 1.48214 hours remaining, 237.640625 MB of memory in use. ENERGY: 3309200 3960.8341 20654.9681 14432.4849 252.3936 -203480.4680 2440.1019 0.0000 0.0000 52015.3006 -109724.3849 298.9326 -161739.6854 -109365.6642 298.9037 -257.1240 -226.1520 763004.8400 -23.1722 -23.1020 PRESSURE: 3309400 94.2453 191.956 -163.023 191.955 56.3802 130.806 -163.025 130.808 35.7631 GPRESSURE: 3309400 93.6166 217.715 -190.208 19.6644 42.0709 217.576 -85.3165 152.035 121.423 PRESSAVG: 3309400 -24.0777 49.1593 -40.5541 49.1593 -30.3209 -26.2853 -40.5541 -26.2852 26.6162 GPRESSAVG: 3309400 -24.349 48.5902 -41.6631 47.2509 -29.9815 -24.1997 -38.882 -26.028 26.3914 TIMING: 3309400 CPU: 10458.6, 0.003165/step Wall: 10458.6, 0.003165/step, 1.48632 hours remaining, 237.640625 MB of memory in use. ENERGY: 3309400 3993.8737 20624.2016 14472.8029 257.7955 -203795.6598 2875.1086 0.0000 0.0000 51819.7372 -109752.1402 297.8087 -161571.8774 -109392.4099 298.5413 62.1296 85.7036 761837.2529 -9.2608 -9.3130 PRESSURE: 3309600 170.206 -101.57 65.2891 -101.57 57.121 2.8361 65.2888 2.83696 183.271 GPRESSURE: 3309600 254.135 -34.6569 91.4506 -130.638 21.7696 -50.1632 36.4124 -133.017 237.494 PRESSAVG: 3309600 20.7329 -28.4496 14.4442 -28.4496 -39.7993 -23.166 14.4442 -23.1658 -0.815836 GPRESSAVG: 3309600 20.9612 -28.1041 12.0158 -26.7498 -41.0752 -26.1015 14.4816 -23.4681 0.0121216 TIMING: 3309600 CPU: 10459.3, 0.00313278/step Wall: 10459.3, 0.00313278/step, 1.47101 hours remaining, 237.640625 MB of memory in use. ENERGY: 3309600 3914.3565 20407.5911 14479.2381 230.8862 -203333.7921 2620.2731 0.0000 0.0000 52071.2787 -109610.1684 299.2544 -161681.4471 -109242.4799 298.3717 136.8661 171.1328 760540.0334 -6.6274 -6.7006 PRESSURE: 3309800 52.2323 -231.392 -103.235 -231.392 -338.833 108.817 -103.235 108.818 49.6157 GPRESSURE: 3309800 88.8243 -214.877 -87.8603 -136.932 -396.003 3.00488 -38.3947 161.729 154.056 PRESSAVG: 3309800 27.1471 -22.2701 19.2005 -22.2702 -43.6258 -20.6159 19.2005 -20.6159 19.2782 GPRESSAVG: 3309800 26.1033 -20.5111 21.5774 -22.3672 -42.3619 -19.8115 18.5421 -22.1865 19.0076 TIMING: 3309800 CPU: 10459.9, 0.00314151/step Wall: 10459.9, 0.00314151/step, 1.47494 hours remaining, 237.640625 MB of memory in use. ENERGY: 3309800 4000.9387 20488.8973 14426.2703 249.4707 -203007.0757 2228.1364 0.0000 0.0000 51872.9568 -109740.4054 298.1146 -161613.3622 -109373.8934 298.6652 -78.9951 -51.0409 761915.1761 0.9332 0.9163 PRESSURE: 3310000 -280.991 -35.3616 -20.0986 -35.3619 -29.8065 -39.3327 -20.0994 -39.3335 -139.606 GPRESSURE: 3310000 -249.451 -99.1685 -88.2569 54.1795 -36.3984 -12.8499 -17.2769 2.12791 -78.2507 PRESSAVG: 3310000 76.1365 -19.7988 -39.0165 -19.7988 -74.4092 21.8659 -39.0165 21.866 0.683064 GPRESSAVG: 3310000 74.9665 -17.9697 -40.5612 -22.1863 -74.1665 23.9948 -36.8412 25.171 0.647699 TIMING: 3310000 CPU: 10460.5, 0.00313567/step Wall: 10460.5, 0.00313567/step, 1.47202 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3310000 4000.7223 20361.5070 14417.3978 245.6737 -203352.8387 2320.4612 0.0000 0.0000 52421.1035 -109585.9733 301.2648 -162007.0768 -109220.3375 299.1396 -150.1344 -121.3668 760516.7963 0.8035 0.4826 PRESSURE: 3310200 -67.6015 41.5207 -148.737 41.5215 -24.5559 -169.522 -148.737 -169.521 -43.6737 GPRESSURE: 3310200 -25.9439 -24.2888 -163.534 54.0615 2.94799 -151.475 -54.6795 -45.2528 -4.29395 PRESSAVG: 3310200 30.8051 -44.7011 -10.8181 -44.7011 -42.3709 -40.6253 -10.8181 -40.6253 -9.70289 GPRESSAVG: 3310200 31.4209 -49.1344 -9.68401 -42.7901 -42.5349 -40.7368 -12.3591 -40.688 -10.1437 TIMING: 3310200 CPU: 10461.1, 0.00314211/step Wall: 10461.1, 0.00314211/step, 1.47487 hours remaining, 237.640625 MB of memory in use. ENERGY: 3310200 3969.1657 20389.8159 14487.4571 243.2564 -203395.6138 2315.7693 0.0000 0.0000 52153.2656 -109836.8837 299.7255 -161990.1493 -109464.7304 298.7384 -45.2770 -9.0966 760931.0212 -7.0896 -7.0859 PRESSURE: 3310400 52.3536 -58.5479 161.436 -58.5477 -313.518 155.315 161.436 155.315 159.467 GPRESSURE: 3310400 46.1712 -66.265 143.198 -18.3319 -226.255 172.498 152.469 31.4131 184.131 PRESSAVG: 3310400 22.9454 7.55288 -21.633 7.55285 -1.06759 -15.2265 -21.633 -15.2264 3.84101 GPRESSAVG: 3310400 22.8458 10.2278 -23.7416 5.44432 0.525801 -17.3311 -20.7829 -18.0279 2.66679 TIMING: 3310400 CPU: 10461.8, 0.00312736/step Wall: 10461.8, 0.00312736/step, 1.46777 hours remaining, 237.640625 MB of memory in use. ENERGY: 3310400 3984.0040 20592.8803 14485.9410 254.9083 -203413.3068 2491.9309 0.0000 0.0000 51860.5187 -109743.1235 298.0431 -161603.6422 -109388.8864 298.3821 -33.8991 1.3491 761033.5240 8.5729 8.6795 PRESSURE: 3310600 -192.902 -23.1592 -42.1201 -23.1591 6.04794 21.8426 -42.1204 21.843 229.465 GPRESSURE: 3310600 -172.348 -134.08 -57.7882 74.5107 1.9645 81.8557 -148.988 -10.4048 289.512 PRESSAVG: 3310600 26.1058 -4.9556 5.78365 -4.95557 -27.5898 -45.8035 5.78372 -45.8035 7.00656 GPRESSAVG: 3310600 25.2595 -5.73259 7.69709 -2.57878 -27.8637 -42.971 3.62515 -45.279 8.14759 TIMING: 3310600 CPU: 10462.4, 0.00315381/step Wall: 10462.4, 0.00315381/step, 1.48001 hours remaining, 237.640625 MB of memory in use. ENERGY: 3310600 3981.6732 20459.3479 14440.9892 252.0354 -203310.1513 2592.5799 0.0000 0.0000 51773.5477 -109809.9780 297.5433 -161583.5257 -109449.1317 297.8999 14.2035 39.7096 762096.6888 1.8408 1.8478 PRESSURE: 3310800 99.9024 80.2072 10.4599 80.2073 -58.855 1.94172 10.459 1.9419 62.5697 GPRESSURE: 3310800 105.195 72.6241 39.205 89.7276 -23.4316 -168.071 -55.8182 7.21965 96.2534 PRESSAVG: 3310800 -8.89053 -12.6382 -1.00045 -12.6382 -17.2206 38.1321 -1.00048 38.1321 10.2938 GPRESSAVG: 3310800 -6.9391 -14.0338 -1.37641 -12.646 -18.7288 34.4342 -0.117947 39.1496 10.1745 TIMING: 3310800 CPU: 10463, 0.00317873/step Wall: 10463, 0.00317873/step, 1.49153 hours remaining, 237.640625 MB of memory in use. ENERGY: 3310800 4006.8519 20334.2993 14401.7528 263.6843 -203313.6917 2648.6545 0.0000 0.0000 51718.4546 -109939.9943 297.2267 -161658.4489 -109586.9641 298.0259 34.5390 59.3391 761480.5404 -5.2725 -5.1645 PRESSURE: 3311000 102.454 -201.394 -192.439 -201.394 -8.96208 -53.0393 -192.44 -53.0378 -106.148 GPRESSURE: 3311000 135.334 -186.806 -90.3132 -127.396 16.9392 -58.2143 -184.73 72.6451 -52.2718 PRESSAVG: 3311000 101.411 11.1954 -13.4022 11.1954 -60.6395 -2.71654 -13.4022 -2.71649 -19.1158 GPRESSAVG: 3311000 99.6419 10.6626 -14.211 10.2049 -59.2383 -1.09626 -15.0055 -3.1554 -18.4726 TIMING: 3311000 CPU: 10463.7, 0.00321439/step Wall: 10463.7, 0.00321439/step, 1.50808 hours remaining, 237.640625 MB of memory in use. ENERGY: 3311000 3979.5707 20374.1231 14481.7725 244.0491 -203223.5235 2584.6949 0.0000 0.0000 51856.2404 -109703.0727 298.0185 -161559.3131 -109339.7248 298.3278 -4.2187 33.3339 762253.1435 7.2184 7.3103 PRESSURE: 3311200 133.168 138.097 -214.459 138.097 -255.807 110.045 -214.458 110.045 -18.6693 GPRESSURE: 3311200 137.119 7.47522 -112.617 187.432 -218.868 188.48 -159.191 36.1768 44.5041 PRESSAVG: 3311200 36.7764 -3.43293 -48.9085 -3.43297 -11.8538 20.3067 -48.9085 20.3066 -18.5705 GPRESSAVG: 3311200 38.7525 -1.21638 -47.8791 -3.92072 -12.6332 19.1548 -48.9315 20.7532 -19.0896 TIMING: 3311200 CPU: 10464.3, 0.00316524/step Wall: 10464.3, 0.00316524/step, 1.48485 hours remaining, 237.640625 MB of memory in use. ENERGY: 3311200 3954.3773 20499.2708 14458.2754 260.1397 -203404.1334 2621.2740 0.0000 0.0000 51996.4411 -109614.3551 298.8243 -161610.7962 -109250.7693 298.3896 -47.1025 -12.4151 763041.0165 2.1174 2.3432 PRESSURE: 3311400 167.733 78.4563 -194.414 78.456 234.651 131.794 -194.414 131.795 -42.058 GPRESSURE: 3311400 237.422 75.302 -214.614 107.397 253.189 140.037 -171.756 69.0164 -33.3889 PRESSAVG: 3311400 7.7137 20.4631 -25.0893 20.4631 -25.2449 10.239 -25.0893 10.239 6.86095 GPRESSAVG: 3311400 8.36206 19.1679 -24.3245 19.3763 -25.5304 11.9773 -23.4003 6.99082 6.17842 TIMING: 3311400 CPU: 10464.9, 0.00315286/step Wall: 10464.9, 0.00315286/step, 1.47886 hours remaining, 237.640625 MB of memory in use. ENERGY: 3311400 3984.2226 20430.4411 14414.4072 254.7063 -203792.2850 3068.9573 0.0000 0.0000 52036.0917 -109603.4587 299.0521 -161639.5504 -109233.8950 298.3974 120.1089 152.4072 763139.8872 -3.5568 -3.6633 PRESSURE: 3311600 36.1115 -106.015 20.2413 -106.016 -279.142 8.8236 20.241 8.82487 35.406 GPRESSURE: 3311600 74.8919 -155.337 37.539 -181.097 -335.935 -15.6908 131.052 64.3894 104.394 PRESSAVG: 3311600 -8.30312 5.94276 -0.83499 5.94276 45.5824 1.11639 -0.835011 1.11643 6.14985 GPRESSAVG: 3311600 -10.4762 5.85319 -2.03775 6.97051 47.3184 -0.0284605 -2.07189 1.96214 6.53726 TIMING: 3311600 CPU: 10465.6, 0.00315136/step Wall: 10465.6, 0.00315136/step, 1.47799 hours remaining, 237.640625 MB of memory in use. ENERGY: 3311600 3895.8325 20510.5605 14464.0775 243.8463 -203658.4212 2792.0901 0.0000 0.0000 51854.3853 -109897.6291 298.0079 -161752.0143 -109528.2780 298.0538 -69.2083 -52.2164 763061.4317 14.4764 14.4598 PRESSURE: 3311800 -47.8519 164.359 107.263 164.359 55.0616 -249.675 107.263 -249.676 -15.4312 GPRESSURE: 3311800 18.6667 92.9509 62.0949 213.115 72.1753 -146.105 -15.2908 -148.685 -17.9508 PRESSAVG: 3311800 9.11987 -16.5506 32.8165 -16.5506 20.1366 -49.0134 32.8166 -49.0134 5.40178 GPRESSAVG: 3311800 10.755 -14.9991 34.1652 -16.3759 17.2197 -47.342 33.7311 -47.272 6.41666 TIMING: 3311800 CPU: 10466.2, 0.00314068/step Wall: 10466.2, 0.00314068/step, 1.47281 hours remaining, 237.640625 MB of memory in use. ENERGY: 3311800 4022.6669 20634.4332 14515.0580 239.6841 -203902.7670 2717.4268 0.0000 0.0000 52090.7667 -109682.7313 299.3664 -161773.4980 -109323.5352 298.5113 -2.7405 24.2971 761693.1800 11.5528 11.4638 PRESSURE: 3312000 -179.772 -46.1224 -160.435 -46.1225 -94.4289 12.4458 -160.435 12.4463 226.642 GPRESSURE: 3312000 -129.597 -39.9803 -162.56 -231.728 -108.719 -48.4384 -241.894 -19.9744 271.67 PRESSAVG: 3312000 -24.2284 -31.982 41.2522 -31.982 -26.6586 17.7592 41.2522 17.7591 -26.7347 GPRESSAVG: 3312000 -25.4139 -31.4495 42.8779 -33.3243 -25.6694 18.1192 40.0247 18.5968 -26.7713 TIMING: 3312000 CPU: 10466.8, 0.00317418/step Wall: 10466.8, 0.00317418/step, 1.48834 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3312000 4000.5831 20679.5303 14432.5121 237.6335 -203248.3455 2354.0952 0.0000 0.0000 51839.1946 -109704.7968 297.9206 -161543.9914 -109343.3173 298.6499 -15.8532 11.1181 761518.9621 -25.8739 -25.9516 PRESSURE: 3312200 241.204 9.14977 64.1238 9.14938 -368.17 200.296 64.1249 200.296 -95.0142 GPRESSURE: 3312200 197.398 -138.58 13.4169 88.1746 -246.832 186.582 69.9801 83.9843 -87.2469 PRESSAVG: 3312200 8.19382 9.53984 -10.4853 9.5398 -11.8429 88.9259 -10.4853 88.9259 -34.4469 GPRESSAVG: 3312200 8.71312 9.30981 -12.9244 10.7489 -12.2901 87.7998 -10.8936 85.7984 -35.062 TIMING: 3312200 CPU: 10467.5, 0.0031759/step Wall: 10467.5, 0.0031759/step, 1.48897 hours remaining, 237.640625 MB of memory in use. ENERGY: 3312200 3992.4715 20695.9354 14405.6041 262.8766 -203578.4567 2555.1499 0.0000 0.0000 51941.1656 -109725.2537 298.5066 -161666.4192 -109358.5500 298.8825 -73.9934 -45.5603 760036.8467 -12.6986 -12.8797 LDB: ============= START OF LOAD BALANCING ============== 10479.9 LDB: ============== END OF LOAD BALANCING =============== 10479.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10479.9 LDB: ============= START OF LOAD BALANCING ============== 10480.2 LDB: Largest compute 7069 load 0.031802 is 16.2% of average load 0.196128 LDB: Average compute 0.004374 is 2.2% of average load 0.196128 LDB: TIME 10480.2 LOAD: AVG 0.196128 MAX 0.215878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 10480.2 LOAD: AVG 0.196128 MAX 0.215878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.508 MB LDB: TIME 10480.2 LOAD: AVG 0.196128 MAX 0.215878 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10480.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10480.2 PRESSURE: 3312400 224.523 -192.705 12.718 -192.705 -27.0374 217.188 12.7184 217.188 125.983 GPRESSURE: 3312400 190.072 -209.535 -8.67084 -187.21 109.215 286.835 -115.936 208.184 115.811 PRESSAVG: 3312400 17.2826 2.07231 -9.4362 2.07227 19.9803 19.6506 -9.43619 19.6506 1.77729 GPRESSAVG: 3312400 15.5772 2.21131 -8.09678 0.506957 21.7768 17.9434 -10.0617 22.7432 1.58379 TIMING: 3312400 CPU: 10468.1, 0.0032425/step Wall: 10468.1, 0.0032425/step, 1.52001 hours remaining, 238.613281 MB of memory in use. ENERGY: 3312400 4026.0259 20487.2238 14469.5548 238.4595 -203743.9014 2567.4878 0.0000 0.0000 52052.0078 -109903.1419 299.1436 -161955.1496 -109549.3134 298.6784 107.8226 138.3660 760232.9228 13.0134 12.9793 PRESSURE: 3312600 118.2 -27.0545 -45.0727 -27.0541 -55.6172 -283.007 -45.0724 -283.008 228.729 GPRESSURE: 3312600 163.989 -87.4482 112.425 40.3192 -59.8431 -297.823 -67.1568 -210.53 268.227 PRESSAVG: 3312600 73.6432 42.0882 -83.5823 42.0882 -37.0508 28.5228 -83.5824 28.5227 14.3823 GPRESSAVG: 3312600 74.6322 42.4473 -85.5585 45.2295 -38.7628 31.0155 -80.6051 28.8597 14.8341 TIMING: 3312600 CPU: 10468.8, 0.00315792/step Wall: 10468.8, 0.00315792/step, 1.48019 hours remaining, 238.613281 MB of memory in use. ENERGY: 3312600 3990.6737 20557.9774 14421.1151 228.7012 -203678.5819 2670.7199 0.0000 0.0000 51982.4618 -109826.9329 298.7439 -161809.3947 -109475.2015 298.6133 97.1039 124.1242 759970.4153 16.9916 16.9012 PRESSURE: 3312800 33.8651 -197.927 -62.4714 -197.927 361.281 156.048 -62.4719 156.048 -70.4903 GPRESSURE: 3312800 74.506 -210.987 -4.02111 -201.162 449.992 172.896 -54.1866 107.194 -102.333 PRESSAVG: 3312800 3.97128 22.4254 0.576197 22.4254 -41.1646 18.0573 0.576185 18.0573 -18.5445 GPRESSAVG: 3312800 3.79149 23.0078 1.40758 20.4648 -41.4048 17.4919 -1.0859 18.1064 -18.1432 TIMING: 3312800 CPU: 10469.4, 0.00316303/step Wall: 10469.4, 0.00316303/step, 1.48241 hours remaining, 238.613281 MB of memory in use. ENERGY: 3312800 4022.2481 20517.4460 14542.8170 232.5876 -203885.9436 2975.1776 0.0000 0.0000 52014.4688 -109581.1984 298.9279 -161595.6672 -109226.5904 298.9535 108.2186 140.7217 760829.9389 -18.5793 -18.5855 PRESSURE: 3313000 269.642 98.808 74.3272 98.8078 131.902 -26.8141 74.3273 -26.8131 -92.5832 GPRESSURE: 3313000 295.559 53.2226 88.5339 13.2265 164.008 8.48881 40.2297 12.7328 -37.5494 PRESSAVG: 3313000 0.0830375 14.8707 -33.2171 14.8707 18.2618 -23.9507 -33.2171 -23.9507 19.2875 GPRESSAVG: 3313000 -0.399128 13.4289 -31.9644 15.9534 19.076 -23.8633 -32.449 -25.96 19.1791 TIMING: 3313000 CPU: 10470, 0.00317538/step Wall: 10470, 0.00317538/step, 1.48802 hours remaining, 238.613281 MB of memory in use. ENERGY: 3313000 3966.3938 20360.5329 14394.2594 239.9415 -203339.2217 2542.9530 0.0000 0.0000 52314.6861 -109520.4549 300.6532 -161835.1410 -109150.9091 299.4612 102.9871 140.6724 760767.1986 12.5441 12.6187 PRESSURE: 3313200 348.156 -121.918 -137.596 -121.918 -68.1621 -17.3733 -137.596 -17.3738 -54.612 GPRESSURE: 3313200 440.907 -145.494 -151.29 -30.1543 -101.167 89.9782 -197.179 -96.1845 1.68883 PRESSAVG: 3313200 8.50214 -27.0177 -4.66571 -27.0177 17.2101 -39.3337 -4.66575 -39.3337 5.25677 GPRESSAVG: 3313200 8.7508 -27.1678 -5.75887 -26.9392 16.7513 -38.7059 -6.16902 -39.271 4.99192 TIMING: 3313200 CPU: 10470.6, 0.00313743/step Wall: 10470.6, 0.00313743/step, 1.47006 hours remaining, 238.613281 MB of memory in use. ENERGY: 3313200 3887.8446 20448.4475 14417.4560 264.0392 -203743.6026 2923.9209 0.0000 0.0000 52009.1344 -109792.7600 298.8972 -161801.8944 -109424.4964 299.3755 75.1273 113.8096 760819.3123 10.3230 10.1647 PRESSURE: 3313400 180.175 38.8804 223.012 38.8797 -71.5517 -162.347 223.012 -162.348 141.32 GPRESSURE: 3313400 185.869 58.7791 217.706 -5.82244 27.2899 -171.055 151.484 -144.764 120.146 PRESSAVG: 3313400 -15.9609 -37.9072 -96.2057 -37.9071 -30.5756 -6.32825 -96.2057 -6.32826 4.77513 GPRESSAVG: 3313400 -15.9042 -37.941 -97.6776 -37.0055 -31.172 -6.79294 -94.4136 -4.52073 5.67217 TIMING: 3313400 CPU: 10471.3, 0.00314066/step Wall: 10471.3, 0.00314066/step, 1.4714 hours remaining, 238.613281 MB of memory in use. ENERGY: 3313400 3998.6134 20532.5331 14464.1409 249.3338 -203822.0788 2690.2660 0.0000 0.0000 52238.8799 -109648.3117 300.2176 -161887.1916 -109294.9121 298.7604 83.3144 111.1016 761899.1087 -13.9205 -13.8013 PRESSURE: 3313600 -65.5602 -184.029 -129.094 -184.029 -93.6244 46.2946 -129.094 46.2942 -417.424 GPRESSURE: 3313600 49.4005 -165.543 -126.19 -42.0793 -86.5351 4.75201 -38.3368 129.085 -461.757 PRESSAVG: 3313600 -16.0637 -33.8324 -10.8886 -33.8325 -6.12982 -10.4216 -10.8886 -10.4215 -2.03466 GPRESSAVG: 3313600 -14.2244 -31.158 -9.63216 -37.7377 -6.11662 -12.0603 -9.84977 -10.1565 -3.80626 TIMING: 3313600 CPU: 10471.9, 0.00314095/step Wall: 10471.9, 0.00314095/step, 1.47136 hours remaining, 238.613281 MB of memory in use. ENERGY: 3313600 3975.2510 20519.6603 14436.8564 252.4256 -203187.1348 2545.4916 0.0000 0.0000 51810.8883 -109646.5616 297.7579 -161457.4499 -109286.3809 298.8692 -192.2028 -166.2973 762613.9250 -8.0760 -8.0491 PRESSURE: 3313800 -143.424 -71.1146 11.8075 -71.114 -321.636 246.098 11.808 246.099 -227.135 GPRESSURE: 3313800 -88.3519 -122.938 -53.5774 -40.9639 -315.377 225.606 127.197 79.0022 -200.493 PRESSAVG: 3313800 36.0683 0.766817 -2.37747 0.766872 -5.16001 -38.863 -2.37748 -38.8629 15.8502 GPRESSAVG: 3313800 34.2385 -3.51525 -2.75695 4.76923 -4.33404 -38.7934 -4.72995 -38.038 16.7034 TIMING: 3313800 CPU: 10472.5, 0.00314427/step Wall: 10472.5, 0.00314427/step, 1.47274 hours remaining, 238.613281 MB of memory in use. ENERGY: 3313800 4021.7177 20412.9860 14537.4537 256.1195 -203079.4420 2435.0403 0.0000 0.0000 51754.3770 -109661.7478 297.4331 -161416.1248 -109293.0184 298.8727 -230.7314 -201.4075 762476.0501 15.5862 15.5360 PRESSURE: 3314000 42.793 -127.52 28.0613 -127.52 220.196 -117.655 28.0619 -117.655 703.743 GPRESSURE: 3314000 141.764 -141.373 129.772 -69.0642 219.463 -169.17 -82.8518 -69.5397 666.94 PRESSAVG: 3314000 -17.4083 -24.8432 -5.97973 -24.8432 -4.17849 -30.5413 -5.97973 -30.5413 9.33635 GPRESSAVG: 3314000 -18.1676 -22.4279 -3.89379 -26.7994 -3.78705 -28.2475 -6.95139 -31.7106 9.35699 TIMING: 3314000 CPU: 10473.2, 0.00314978/step Wall: 10473.2, 0.00314979/step, 1.47515 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3314000 3927.6775 20383.0347 14425.8587 240.1315 -203707.9950 2873.9117 0.0000 0.0000 52109.2307 -109748.1502 299.4725 -161857.3809 -109376.9182 298.4854 322.2440 342.7225 760395.7565 -4.0835 -4.1992 PRESSURE: 3314200 -131.685 110.914 269.973 110.915 -400.299 -90.6454 269.973 -90.6448 -237.123 GPRESSURE: 3314200 -70.5691 -29.6872 209.78 20.4765 -348.595 4.22971 145.035 -21.2347 -257.722 PRESSAVG: 3314200 49.7078 -14.6357 43.7263 -14.6357 -28.0477 -74.1552 43.7263 -74.1551 25.5311 GPRESSAVG: 3314200 50.8178 -17.3349 43.2546 -13.875 -28.5302 -73.8587 42.9954 -76.0136 25.1509 TIMING: 3314200 CPU: 10473.8, 0.00316431/step Wall: 10473.8, 0.00316431/step, 1.48178 hours remaining, 238.613281 MB of memory in use. ENERGY: 3314200 3951.4078 20451.8638 14477.2780 243.6987 -203316.6717 2726.2988 0.0000 0.0000 51689.6280 -109776.4966 297.0610 -161466.1245 -109419.2015 298.3231 -256.3691 -225.6288 761949.4903 15.7304 15.8128 PRESSURE: 3314400 -238.98 -90.1285 170.074 -90.1284 -107.809 43.9283 170.074 43.9283 249.807 GPRESSURE: 3314400 -129.164 -111.488 149.16 -91.8353 -136.806 -16.1499 23.6579 34.8643 270.272 PRESSAVG: 3314400 5.11597 -28.7898 50.4412 -28.7897 -20.5395 14.7932 50.4412 14.7933 -20.2959 GPRESSAVG: 3314400 4.79461 -25.5746 50.7331 -29.7721 -20.0046 13.0276 50.636 15.5668 -20.0209 TIMING: 3314400 CPU: 10474.4, 0.00315388/step Wall: 10474.4, 0.00315388/step, 1.47672 hours remaining, 238.613281 MB of memory in use. ENERGY: 3314400 3931.9843 20487.4310 14434.6093 255.1418 -203371.3000 2685.1330 0.0000 0.0000 51895.5272 -109681.4734 298.2443 -161577.0006 -109329.9707 298.1795 -32.3273 1.4342 762665.3728 -11.9065 -11.7436 PRESSURE: 3314600 -272.426 15.3383 104.02 15.3371 -156.016 -163.803 104.021 -163.803 -117.308 GPRESSURE: 3314600 -98.7477 29.7008 86.8524 -36.9359 -215.366 -126.446 21.1489 -74.8135 -139.71 PRESSAVG: 3314600 0.509921 17.9368 -10.6667 17.9368 11.0121 6.11101 -10.6666 6.11098 12.6263 GPRESSAVG: 3314600 0.682255 17.7341 -10.9517 17.8084 11.3983 6.05958 -9.60624 6.5297 12.1489 TIMING: 3314600 CPU: 10475.1, 0.00314415/step Wall: 10475.1, 0.00314415/step, 1.47199 hours remaining, 238.613281 MB of memory in use. ENERGY: 3314600 3998.0354 20454.1248 14532.2861 242.9412 -203248.5168 2522.7275 0.0000 0.0000 51954.3232 -109544.0784 298.5822 -161498.4016 -109186.2855 298.4646 -181.9167 -151.2747 762119.6798 8.0495 8.0765 PRESSURE: 3314800 20.5765 -34.9781 194.781 -34.978 288.695 -72.7298 194.78 -72.7302 168.702 GPRESSURE: 3314800 99.8067 -74.9748 204.943 -44.067 237.313 -61.7024 286.052 -48.4323 214.545 PRESSAVG: 3314800 37.6607 -50.6038 8.88741 -50.6038 -14.056 -55.5476 8.88738 -55.5477 3.91155 GPRESSAVG: 3314800 38.9439 -50.3087 9.27801 -49.5819 -15.989 -55.6336 10.5569 -57.4947 4.6179 TIMING: 3314800 CPU: 10475.7, 0.00314435/step Wall: 10475.7, 0.00314435/step, 1.47191 hours remaining, 238.613281 MB of memory in use. ENERGY: 3314800 3967.8249 20533.0733 14448.0710 267.6658 -203488.9236 2655.1097 0.0000 0.0000 51696.2240 -109920.9549 297.0989 -161617.1789 -109557.4281 298.4827 159.3242 183.8882 758218.1194 9.1721 9.1909 PRESSURE: 3315000 98.3238 66.1624 -32.5328 66.1629 218.682 -142.555 -32.5334 -142.554 78.2682 GPRESSURE: 3315000 164.483 -66.0957 -32.0266 34.0776 231.403 -241.519 -92.7669 -119.712 82.9565 PRESSAVG: 3315000 57.4177 -16.5242 59.0486 -16.5242 -38.1843 1.97184 59.0486 1.97194 -8.46376 GPRESSAVG: 3315000 56.2012 -15.9803 58.6722 -17.8581 -37.2732 1.10615 56.7563 5.03864 -8.37448 TIMING: 3315000 CPU: 10476.3, 0.00314793/step Wall: 10476.3, 0.00314793/step, 1.4734 hours remaining, 238.613281 MB of memory in use. ENERGY: 3315000 3949.6693 20576.5670 14433.1112 244.3480 -203661.7348 2805.4395 0.0000 0.0000 51914.0698 -109738.5301 298.3509 -161652.5998 -109383.4439 297.7779 131.7578 159.6141 759696.5054 3.5899 3.5178 PRESSURE: 3315200 222.031 101.379 109.798 101.379 5.26012 135.049 109.797 135.049 18.8813 GPRESSURE: 3315200 227.011 164.583 129.357 4.94252 40.8935 147.432 -39.6425 78.0347 86.002 PRESSAVG: 3315200 17.4054 21.9172 32.1992 21.9172 -65.4327 -0.481491 32.1992 -0.48154 8.84764 GPRESSAVG: 3315200 17.0733 20.8286 31.4151 22.0607 -65.7154 -0.10685 33.1337 -2.04417 9.66437 TIMING: 3315200 CPU: 10476.9, 0.00316753/step Wall: 10476.9, 0.00316753/step, 1.4824 hours remaining, 238.613281 MB of memory in use. ENERGY: 3315200 3944.1958 20458.6547 14485.8108 255.0224 -203191.7722 2464.2431 0.0000 0.0000 52095.2068 -109488.6385 299.3919 -161583.8453 -109127.0440 298.4416 82.0576 117.9689 760653.2328 -13.0599 -12.9926 PRESSURE: 3315400 -17.562 -67.9376 -9.40288 -67.9393 -184.03 -139.111 -9.40208 -139.111 -17.9631 GPRESSURE: 3315400 -54.0276 -57.9622 -1.00693 -157.96 -107.186 -181.14 -19.5781 -94.241 31.498 PRESSAVG: 3315400 56.6321 -30.8568 -39.3983 -30.8568 -28.6961 -4.47738 -39.3982 -4.47737 5.85844 GPRESSAVG: 3315400 55.8728 -31.9932 -40.507 -29.0724 -27.1497 -3.8469 -39.2478 -3.99124 5.22055 TIMING: 3315400 CPU: 10477.6, 0.00316461/step Wall: 10477.6, 0.0031646/step, 1.48086 hours remaining, 238.613281 MB of memory in use. ENERGY: 3315400 4001.9329 20677.3535 14484.3751 239.9518 -202660.6510 2071.2139 0.0000 0.0000 51820.9887 -109364.8351 297.8159 -161185.8238 -109001.5557 299.1831 -73.1851 -43.2386 760896.3799 11.2648 11.3146 PRESSURE: 3315600 238.156 271.56 -103.855 271.56 469.306 -16.028 -103.855 -16.0281 -178.331 GPRESSURE: 3315600 127.253 104.894 -165.569 287.624 531.507 -25.6084 -42.5428 -70.8376 -46.7121 PRESSAVG: 3315600 22.4994 9.00994 18.9747 9.00994 -22.0204 20.0288 18.9746 20.0288 16.6659 GPRESSAVG: 3315600 23.4328 10.8392 19.9568 6.84853 -23.8889 19.9969 20.2664 21.3089 17.6018 TIMING: 3315600 CPU: 10478.2, 0.00316176/step Wall: 10478.2, 0.00316176/step, 1.47935 hours remaining, 238.613281 MB of memory in use. ENERGY: 3315600 3993.8216 20476.1953 14463.6184 256.5727 -203585.4815 2710.4655 0.0000 0.0000 52159.6385 -109525.1694 299.7622 -161684.8079 -109164.5968 299.2561 176.3769 204.0159 760422.8860 5.7149 5.7153 PRESSURE: 3315800 -30.1502 -3.20232 78.9848 -3.20284 180.848 -88.5307 78.9846 -88.5306 -128.861 GPRESSURE: 3315800 81.9787 51.9375 100.038 -16.6719 111.138 -34.6166 22.4579 -54.9602 -70.8989 PRESSAVG: 3315800 14.944 19.9608 -31.4345 19.9608 7.0595 40.3364 -31.4345 40.3364 8.54231 GPRESSAVG: 3315800 14.7125 18.062 -31.1227 19.5562 8.03271 41.0353 -33.5248 40.5908 7.65361 TIMING: 3315800 CPU: 10478.9, 0.00319274/step Wall: 10478.9, 0.00319274/step, 1.49367 hours remaining, 238.613281 MB of memory in use. ENERGY: 3315800 4045.3593 20614.2804 14424.6130 243.9896 -203511.2009 2661.0253 0.0000 0.0000 51997.4722 -109524.4611 298.8302 -161521.9333 -109172.9380 299.7683 7.2787 40.7394 760096.6634 10.1819 10.1329 PRESSURE: 3316000 -92.3273 -25.948 129.7 -25.9483 165.071 -10.0153 129.701 -10.0133 254.025 GPRESSURE: 3316000 -23.6746 -94.9663 113.235 27.1207 274.863 -41.2261 22.2852 55.5098 185.101 PRESSAVG: 3316000 48.4961 33.3469 34.6351 33.3468 -29.157 36.5943 34.635 36.5943 0.031929 GPRESSAVG: 3316000 49.0415 33.1771 35.2089 35.19 -29.6429 36.0064 34.099 33.601 -0.345586 TIMING: 3316000 CPU: 10479.5, 0.00321633/step Wall: 10479.5, 0.00321633/step, 1.50453 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3316000 4021.5164 20514.2973 14457.9907 250.3872 -203592.2414 2735.7740 0.0000 0.0000 52276.7068 -109335.5690 300.4350 -161612.2758 -108967.9851 299.2872 108.9229 145.4300 759952.5546 6.4570 6.3510 PRESSURE: 3316200 236.585 -84.6445 3.52068 -84.6443 52.2404 72.6402 3.52093 72.64 -121.21 GPRESSURE: 3316200 175.798 -113.199 -31.0198 -79.3472 87.3614 25.3955 -19.8467 248.247 -12.7113 PRESSAVG: 3316200 86.9087 2.05529 37.8442 2.05532 -24.3549 55.4191 37.8442 55.4192 -12.2758 GPRESSAVG: 3316200 86.0624 3.1781 36.4376 2.15211 -23.9379 54.1807 40.6456 57.5324 -11.5952 TIMING: 3316200 CPU: 10480.1, 0.00319779/step Wall: 10480.1, 0.00319779/step, 1.49568 hours remaining, 238.613281 MB of memory in use. ENERGY: 3316200 4041.3501 20588.2970 14359.1924 251.5218 -203749.1804 2954.8329 0.0000 0.0000 52063.0255 -109490.9607 299.2069 -161553.9862 -109128.4098 299.6087 55.8718 83.4828 761018.7804 16.7594 16.8431 LDB: ============= START OF LOAD BALANCING ============== 10492.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10492.5 LDB: =============== DONE WITH MIGRATION ================ 10492.5 LDB: ============= START OF LOAD BALANCING ============== 10492.9 LDB: Largest compute 7033 load 0.032523 is 16.6% of average load 0.196157 LDB: Average compute 0.004378 is 2.2% of average load 0.196157 LDB: TIME 10492.9 LOAD: AVG 0.196157 MAX 0.216782 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 10492.9 LOAD: AVG 0.196157 MAX 0.216782 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 10492.9 LOAD: AVG 0.196157 MAX 0.216782 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10492.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10492.9 PRESSURE: 3316400 -486.859 -186.369 58.6595 -186.37 -322.174 81.6459 58.6598 81.6465 -327.475 GPRESSURE: 3316400 -420.269 -128.098 12.9115 -227.414 -294.359 110.46 99.8422 175.957 -321.927 PRESSAVG: 3316400 2.32236 40.174 5.13758 40.174 39.2303 16.1474 5.13758 16.1474 11.881 GPRESSAVG: 3316400 3.70983 38.6839 4.49638 39.8065 38.5919 18.4887 3.31855 15.7807 10.7658 TIMING: 3316400 CPU: 10480.8, 0.00325087/step Wall: 10480.8, 0.00325087/step, 1.52032 hours remaining, 236.925781 MB of memory in use. ENERGY: 3316400 4082.2718 20563.8100 14375.1643 242.9425 -203154.8176 2262.4954 0.0000 0.0000 51973.5662 -109654.5674 298.6928 -161628.1336 -109303.7628 299.1096 -378.8360 -345.5185 760558.2958 17.8112 17.6892 PRESSURE: 3316600 -131.054 -100.961 -6.42911 -100.962 59.4564 -34.0906 -6.42906 -34.0903 -12.2634 GPRESSURE: 3316600 -115.129 -57.994 30.0411 -145.729 63.3467 -42.7007 2.25804 -56.3206 50.8151 PRESSAVG: 3316600 0.37004 -16.9167 -42.6691 -16.9167 -6.36313 -47.3358 -42.669 -47.3358 7.12066 GPRESSAVG: 3316600 -0.119561 -16.0883 -43.209 -16.0454 -6.02925 -48.3891 -40.249 -48.6245 7.25703 TIMING: 3316600 CPU: 10481.4, 0.00315045/step Wall: 10481.4, 0.00315045/step, 1.47319 hours remaining, 236.925781 MB of memory in use. ENERGY: 3316600 4014.3243 20524.3309 14491.1044 235.4977 -203002.1747 2449.1564 0.0000 0.0000 51930.7267 -109357.0343 298.4466 -161287.7610 -109007.1304 299.3936 -27.9537 -0.3224 762282.2786 0.3759 0.3694 PRESSURE: 3316800 -613.235 -134.15 -77.4442 -134.152 -216.286 260.979 -77.4456 260.98 -29.8358 GPRESSURE: 3316800 -578.759 -126.546 -99.8971 -195.159 -162.442 175.431 -53.2606 191.16 -17.3639 PRESSAVG: 3316800 20.3436 7.82839 -16.5983 7.8284 -35.5839 -23.8235 -16.5983 -23.8235 -16.7463 GPRESSAVG: 3316800 19.9268 5.91296 -15.3314 7.06696 -35.905 -24.2475 -19.4139 -23.8779 -16.502 TIMING: 3316800 CPU: 10482.1, 0.00317315/step Wall: 10482.1, 0.00317315/step, 1.48362 hours remaining, 236.925781 MB of memory in use. ENERGY: 3316800 3944.8429 20539.3291 14539.2960 256.4447 -203213.0080 2390.1204 0.0000 0.0000 52057.5229 -109485.4520 299.1753 -161542.9749 -109131.1236 298.9658 -286.4525 -252.8550 760316.9154 -10.6622 -10.8267 PRESSURE: 3317000 140.572 -41.3465 -142.844 -41.3464 -128.518 10.2075 -142.844 10.2078 33.0778 GPRESSURE: 3317000 221.74 -30.7026 -166.305 -5.12587 -71.2952 39.405 -67.153 2.82371 -20.2967 PRESSAVG: 3317000 44.6483 9.92928 18.1419 9.92931 -7.83425 -3.84574 18.1419 -3.84576 11.8381 GPRESSAVG: 3317000 44.2089 11.1066 16.9974 10.7799 -6.80586 -2.21085 18.9706 -3.30872 11.8087 TIMING: 3317000 CPU: 10482.7, 0.0031668/step Wall: 10482.7, 0.0031668/step, 1.48048 hours remaining, 236.925781 MB of memory in use. ENERGY: 3317000 3957.6203 20430.7467 14415.7572 231.1732 -203323.1544 2619.1141 0.0000 0.0000 51987.3332 -109681.4097 298.7719 -161668.7430 -109318.7042 298.8671 15.0440 43.3827 761617.9272 16.2174 16.4039 PRESSURE: 3317200 -54.4812 30.9759 72.2906 30.9751 174.011 -7.7983 72.2904 -7.799 14.8972 GPRESSURE: 3317200 56.6612 1.35078 46.7534 -25.9709 118.189 24.8573 61.879 -86.1153 40.3879 PRESSAVG: 3317200 -15.9973 62.3133 -12.0468 62.3133 19.7301 -26.4154 -12.0469 -26.4154 -10.2589 GPRESSAVG: 3317200 -15.2445 61.6449 -10.6024 61.1054 19.4103 -26.441 -9.739 -26.8811 -11.0517 TIMING: 3317200 CPU: 10483.3, 0.00315408/step Wall: 10483.3, 0.00315408/step, 1.47436 hours remaining, 236.925781 MB of memory in use. ENERGY: 3317200 3963.8529 20379.7279 14478.7032 228.8088 -203213.1754 2605.7820 0.0000 0.0000 51853.7442 -109702.5565 298.0042 -161556.3006 -109346.7835 298.8480 44.8089 71.7461 761950.1135 -2.1754 -2.2953 PRESSURE: 3317400 -83.7703 62.2715 -2.21442 62.2713 -71.06 -103.377 -2.215 -103.377 119.349 GPRESSURE: 3317400 -40.7948 -33.3139 -4.05836 162.172 -25.6058 -62.2534 -4.23201 -101.762 99.3706 PRESSAVG: 3317400 49.6673 31.5226 0.446212 31.5225 -65.8616 -1.3663 0.446278 -1.36626 -1.31111 GPRESSAVG: 3317400 49.3787 32.146 -1.67986 33.9144 -65.7935 -2.01452 0.0306778 -2.23899 -1.56846 TIMING: 3317400 CPU: 10484, 0.00317854/step Wall: 10484, 0.00317854/step, 1.48561 hours remaining, 236.925781 MB of memory in use. ENERGY: 3317400 3983.8885 20433.9420 14455.6920 232.8676 -203411.2107 2564.7430 0.0000 0.0000 52009.2933 -109730.7845 298.8981 -161740.0777 -109371.8423 298.2098 -11.8272 10.9900 761547.9932 -5.8351 -5.9944 PRESSURE: 3317600 -107.893 -80.7267 -49.5385 -80.7279 -14.9179 34.6229 -49.5378 34.6223 -67.298 GPRESSURE: 3317600 -78.0832 -64.4766 -66.431 -2.2683 26.2689 29.0406 -75.6861 70.5358 -54.6224 PRESSAVG: 3317600 24.8368 -0.868341 -16.7876 -0.868367 -2.76126 -3.5218 -16.7877 -3.52171 11.2839 GPRESSAVG: 3317600 24.1057 -1.65982 -13.6375 -0.60533 -3.14191 -4.21539 -19.2437 -1.6089 12.4215 TIMING: 3317600 CPU: 10484.6, 0.00316621/step Wall: 10484.6, 0.0031662/step, 1.47967 hours remaining, 236.925781 MB of memory in use. ENERGY: 3317600 3955.6905 20454.4928 14449.7698 267.3964 -203540.6553 2481.1249 0.0000 0.0000 52113.0539 -109819.1270 299.4944 -161932.1809 -109453.3073 298.6420 -63.3696 -35.4789 760180.8332 11.1198 11.1284 PRESSURE: 3317800 102.236 -25.7276 -270.398 -25.7271 195.535 -76.7904 -270.397 -76.7907 -133.354 GPRESSURE: 3317800 161.772 -50.1257 -197.856 -108.057 186.369 -154.494 -248.036 -47.6358 -92.8931 PRESSAVG: 3317800 54.5448 0.0772929 -37.7276 0.0772427 -14.2432 -11.8517 -37.7276 -11.8517 12.2521 GPRESSAVG: 3317800 54.5518 -0.527629 -38.966 0.141462 -14.4563 -10.8847 -37.499 -12.84 12.5341 TIMING: 3317800 CPU: 10485.2, 0.00315498/step Wall: 10485.2, 0.00315498/step, 1.47425 hours remaining, 236.925781 MB of memory in use. ENERGY: 3317800 3997.5432 20585.7161 14381.2660 243.7039 -203326.5787 2374.3996 0.0000 0.0000 52072.9389 -109671.0110 299.2639 -161743.9499 -109315.0009 299.0447 54.8059 85.0826 759508.8679 17.5179 17.5432 PRESSURE: 3318000 -83.7245 -19.2349 -76.2191 -19.2352 226.894 15.2589 -76.2193 15.2589 398.948 GPRESSURE: 3318000 54.3537 -40.9406 -89.0533 -138.074 158.167 -35.0793 -256.01 55.385 401.29 PRESSAVG: 3318000 44.5286 -25.1854 -28.9392 -25.1854 -22.2116 -11.1146 -28.9393 -11.1145 10.3858 GPRESSAVG: 3318000 44.4205 -24.5025 -27.9113 -27.915 -22.1444 -11.943 -26.651 -11.5955 10.6198 TIMING: 3318000 CPU: 10485.8, 0.00314888/step Wall: 10485.8, 0.00314888/step, 1.47123 hours remaining, 236.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3318000 4043.8840 20492.1496 14451.9053 227.8752 -203330.0747 2465.1010 0.0000 0.0000 52011.5877 -109637.5720 298.9113 -161649.1596 -109286.6662 298.9041 180.7061 204.6034 759827.1742 10.9010 10.9653 PRESSURE: 3318200 202.813 50.6591 -167.559 50.6587 -169.089 -68.3551 -167.559 -68.3548 132.096 GPRESSURE: 3318200 303.562 65.8988 -185.19 141.748 -160.921 -62.1594 -88.8758 -37.7211 109.469 PRESSAVG: 3318200 -45.37 -37.6987 -37.9109 -37.6987 17.4734 -33.7315 -37.9109 -33.7315 18.2367 GPRESSAVG: 3318200 -43.7363 -38.1316 -38.8614 -35.5055 16.251 -32.5715 -39.267 -35.3751 17.6575 TIMING: 3318200 CPU: 10486.5, 0.00315027/step Wall: 10486.5, 0.00315026/step, 1.4717 hours remaining, 236.925781 MB of memory in use. ENERGY: 3318200 4017.2551 20838.7668 14453.9170 244.5074 -203520.6220 2503.9697 0.0000 0.0000 51994.1431 -109468.0629 298.8111 -161462.2060 -109122.9646 299.0352 55.2731 84.0366 758316.7693 -3.2200 -3.2759 PRESSURE: 3318400 -288.685 -96.1085 -90.8329 -96.1087 -7.30616 23.4056 -90.8326 23.4056 -79.3685 GPRESSURE: 3318400 -258.657 -122.456 -19.7747 10.4534 -1.38091 -16.7908 12.0127 19.3636 -40.8235 PRESSAVG: 3318400 11.3592 -40.9701 -29.4818 -40.9701 16.1506 -23.7969 -29.4817 -23.797 -1.00151 GPRESSAVG: 3318400 8.29628 -38.494 -28.2638 -41.8389 18.3495 -24.5243 -28.8647 -21.8452 -0.675693 TIMING: 3318400 CPU: 10487.1, 0.00314798/step Wall: 10487.1, 0.00314798/step, 1.47046 hours remaining, 236.925781 MB of memory in use. ENERGY: 3318400 4003.1880 20514.2303 14487.3183 248.5209 -203378.1470 2520.7896 0.0000 0.0000 52009.1748 -109594.9250 298.8974 -161604.0998 -109214.4603 299.7064 -125.1200 -100.2871 761441.0918 8.8361 8.6567 PRESSURE: 3318600 156.822 -70.0764 -22.656 -70.077 -190.092 151.644 -22.6565 151.644 22.7768 GPRESSURE: 3318600 104.822 -12.7484 -63.2899 -42.7526 -99.6898 166.628 -64.9584 107.016 70.6444 PRESSAVG: 3318600 38.5451 -3.61408 -38.031 -3.61414 -57.6084 -35.3825 -38.031 -35.3825 24.1951 GPRESSAVG: 3318600 39.4226 -4.85658 -37.9832 -4.87707 -58.0285 -34.4618 -39.641 -37.4401 24.1942 TIMING: 3318600 CPU: 10487.7, 0.00316322/step Wall: 10487.7, 0.00316322/step, 1.4774 hours remaining, 236.925781 MB of memory in use. ENERGY: 3318600 4009.5843 20502.1569 14471.2514 246.2618 -203558.2361 2538.4910 0.0000 0.0000 52052.8142 -109737.6764 299.1482 -161790.4907 -109372.7288 298.9273 -3.4979 25.2589 759385.9890 1.7106 1.8628 PRESSURE: 3318800 55.2399 -286.567 45.0593 -286.566 -43.7886 31.0831 45.0599 31.0824 -218.049 GPRESSURE: 3318800 69.4807 -270.078 32.2641 -293.037 7.33464 34.3466 -4.45475 30.1082 -199.442 PRESSAVG: 3318800 63.4384 -30.9172 -0.906487 -30.9171 -45.2068 18.6237 -0.906458 18.6236 -19.5263 GPRESSAVG: 3318800 63.0227 -28.9045 -3.63572 -30.2206 -44.6352 19.0138 1.24759 18.4882 -19.5218 TIMING: 3318800 CPU: 10488.4, 0.00318923/step Wall: 10488.4, 0.00318923/step, 1.48937 hours remaining, 236.925781 MB of memory in use. ENERGY: 3318800 4014.9569 20610.8517 14443.2982 246.6705 -203342.3530 2283.8887 0.0000 0.0000 52117.6241 -109625.0628 299.5207 -161742.6869 -109270.6544 299.0182 -68.8658 -40.8755 759233.1999 -0.4316 -0.3781 PRESSURE: 3319000 -145.082 150.533 36.6146 150.533 185.676 54.1342 36.6136 54.1346 212.844 GPRESSURE: 3319000 -79.628 153.793 77.6451 125.082 143.97 -0.446506 52.5206 102.353 274.055 PRESSAVG: 3319000 16.1293 19.8401 34.3495 19.8402 -15.0048 28.3293 34.3494 28.3293 23.5478 GPRESSAVG: 3319000 17.2763 19.3273 35.5109 20.2535 -16.704 28.7157 33.3091 29.2278 23.5519 TIMING: 3319000 CPU: 10489, 0.00315523/step Wall: 10489, 0.00315523/step, 1.47332 hours remaining, 236.925781 MB of memory in use. ENERGY: 3319000 4035.3406 20518.3515 14493.3261 243.0519 -202881.3010 2415.4264 0.0000 0.0000 51775.0111 -109400.7933 297.5517 -161175.8044 -109032.3574 299.6017 84.4793 112.7989 760037.6682 8.2241 8.0414 PRESSURE: 3319200 -194.415 -165.858 49.6691 -165.857 124.48 -297.529 49.6687 -297.529 -85.522 GPRESSURE: 3319200 -180.591 -98.9879 133.714 -156.689 61.9974 -337.027 4.20647 -254.072 62.2955 PRESSAVG: 3319200 22.7231 -36.4013 10.2984 -36.4012 -45.5262 -7.19881 10.2985 -7.19879 1.28797 GPRESSAVG: 3319200 21.9098 -37.4515 11.2779 -36.2402 -45.1996 -7.24272 9.77808 -8.50621 1.44058 TIMING: 3319200 CPU: 10489.6, 0.00313579/step Wall: 10489.6, 0.00313579/step, 1.46407 hours remaining, 236.925781 MB of memory in use. ENERGY: 3319200 4008.1861 20589.2718 14409.3946 238.4116 -203576.4403 2515.2592 0.0000 0.0000 52256.2979 -109559.6191 300.3177 -161815.9169 -109200.6382 299.3832 -51.8189 -18.7660 760967.8276 -7.1717 -7.2831 PRESSURE: 3319400 464.443 359.852 -37.0008 359.852 222.669 -4.59983 -37.001 -4.60059 268.46 GPRESSURE: 3319400 483.755 273.813 -13.3766 359.174 278.244 -9.44217 -65.2485 20.522 275.71 PRESSAVG: 3319400 9.30593 -23.2842 41.7723 -23.2842 -20.9501 7.10021 41.7723 7.10018 7.92111 GPRESSAVG: 3319400 8.78727 -23.8071 41.6475 -23.9961 -20.6312 5.54469 41.7132 8.70522 8.18998 TIMING: 3319400 CPU: 10490.3, 0.00314629/step Wall: 10490.3, 0.00314629/step, 1.46879 hours remaining, 236.925781 MB of memory in use. ENERGY: 3319400 3997.0758 20494.0545 14493.5891 244.4246 -203675.6205 2554.7450 0.0000 0.0000 52124.2280 -109767.5035 299.5587 -161891.7315 -109408.3185 298.8280 318.5241 345.9029 758109.0815 -1.2410 -1.2180 PRESSURE: 3319600 -197.573 -3.60198 12.2137 -3.60137 216.122 137.556 12.2139 137.555 259.675 GPRESSURE: 3319600 -64.0251 -50.2575 19.9384 39.4791 167.879 84.1211 37.1313 153.779 268.011 PRESSAVG: 3319600 -22.4918 -51.3732 62.216 -51.3731 20.4281 8.68338 62.2161 8.68333 -7.80995 GPRESSAVG: 3319600 -21.3707 -50.2601 61.6369 -51.8627 20.072 7.11956 62.8149 10.4184 -8.56841 TIMING: 3319600 CPU: 10490.9, 0.00314862/step Wall: 10490.9, 0.00314862/step, 1.46971 hours remaining, 236.925781 MB of memory in use. ENERGY: 3319600 3996.1160 20427.5748 14473.6043 235.0972 -203795.7457 2704.3486 0.0000 0.0000 52141.4092 -109817.5958 299.6574 -161959.0050 -109451.0756 298.9133 92.7412 123.9550 758926.4424 -3.2912 -3.2890 PRESSURE: 3319800 -27.4177 -203.514 30.1621 -203.514 382.031 -68.2252 30.1631 -68.2262 -17.934 GPRESSURE: 3319800 -129.198 -215.456 19.2103 -167.193 538.493 -100.288 -28.1458 1.47084 3.65655 PRESSAVG: 3319800 -16.4159 -23.8654 43.2096 -23.8653 -0.0152537 8.07332 43.2096 8.07325 17.5258 GPRESSAVG: 3319800 -15.8012 -23.7281 43.2695 -22.2474 -0.354173 8.8537 43.0689 6.95106 17.0848 TIMING: 3319800 CPU: 10491.5, 0.00314171/step Wall: 10491.5, 0.00314171/step, 1.46631 hours remaining, 236.925781 MB of memory in use. ENERGY: 3319800 4000.1845 20571.7563 14466.7905 232.9044 -203769.0549 2758.5706 0.0000 0.0000 51935.7205 -109803.1280 298.4753 -161738.8485 -109434.0889 299.0222 112.2263 137.6506 759417.7774 0.3649 0.3098 PRESSURE: 3320000 -177.239 60.413 -61.4353 60.4131 -261.263 142.925 -61.4352 142.926 -205.9 GPRESSURE: 3320000 -89.1565 139.281 -107.161 72.5696 -272.788 55.8128 -2.10737 159.699 -179.664 PRESSAVG: 3320000 -17.668 -4.93583 32.9548 -4.93574 0.040287 25.0951 32.9548 25.0951 5.94118 GPRESSAVG: 3320000 -19.2149 -3.98397 32.0198 -5.56855 0.417733 26.6793 34.0799 26.0074 6.87949 TIMING: 3320000 CPU: 10492.2, 0.00316116/step Wall: 10492.2, 0.00316116/step, 1.47521 hours remaining, 236.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3320000 3946.2677 20632.7770 14448.6362 262.0527 -203653.1701 2599.0698 0.0000 0.0000 52091.2527 -109673.1140 299.3691 -161764.3667 -109303.9378 299.0658 -214.8007 -180.5361 761041.0109 -3.8955 -3.9726 PRESSURE: 3320200 67.5005 -95.7769 161.569 -95.7766 227.139 210.333 161.569 210.334 69.6789 GPRESSURE: 3320200 145.648 -145.686 161.132 -210.916 242.324 163.08 190.278 26.6008 76.6955 PRESSAVG: 3320200 -29.5017 -7.60017 9.59733 -7.60019 25.5328 1.40059 9.59741 1.40057 -2.69609 GPRESSAVG: 3320200 -28.8072 -8.44533 11.8595 -8.77268 25.0829 1.72302 7.18364 -0.723145 -3.07283 TIMING: 3320200 CPU: 10492.8, 0.00313943/step Wall: 10492.8, 0.00313943/step, 1.46489 hours remaining, 236.925781 MB of memory in use. ENERGY: 3320200 4021.4210 20439.3531 14473.8682 262.2151 -203553.4296 2626.2391 0.0000 0.0000 52030.4200 -109699.9131 299.0195 -161730.3330 -109333.3734 299.4273 121.4393 154.8891 760293.7542 -2.2217 -2.2657 LDB: ============= START OF LOAD BALANCING ============== 10505.2 LDB: ============== END OF LOAD BALANCING =============== 10505.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10505.2 LDB: ============= START OF LOAD BALANCING ============== 10505.5 LDB: Largest compute 7069 load 0.031688 is 16.2% of average load 0.196099 LDB: Average compute 0.004393 is 2.2% of average load 0.196099 LDB: TIME 10505.5 LOAD: AVG 0.196099 MAX 0.218196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 10505.5 LOAD: AVG 0.196099 MAX 0.218196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 10505.5 LOAD: AVG 0.196099 MAX 0.218196 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 10505.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10505.5 PRESSURE: 3320400 292.109 152.448 73.7837 152.447 122.35 -158.269 73.7836 -158.269 88.9247 GPRESSURE: 3320400 356.026 40.3101 68.7023 116.066 83.9869 -120.556 53.8242 -142.557 135.06 PRESSAVG: 3320400 18.968 -33.1002 21.6132 -33.1002 -25.0377 13.1857 21.6132 13.1857 3.82398 GPRESSAVG: 3320400 17.9749 -34.4668 21.6521 -32.2799 -25.1445 13.3562 22.8895 12.6071 5.11154 TIMING: 3320400 CPU: 10493.4, 0.0032151/step Wall: 10493.4, 0.0032151/step, 1.50002 hours remaining, 237.843750 MB of memory in use. ENERGY: 3320400 4024.2044 20592.5365 14489.4416 219.0951 -204075.1967 2998.1683 0.0000 0.0000 52042.2528 -109709.4979 299.0875 -161751.7507 -109340.2078 299.1023 167.7944 191.6909 759947.7242 -0.7486 -0.6860 PRESSURE: 3320600 404.002 2.86404 66.5414 2.86364 192.941 -272.12 66.5415 -272.121 -81.3292 GPRESSURE: 3320600 306.955 2.49885 42.3268 23.71 290.946 -121.288 109.066 -162.532 -6.45206 PRESSAVG: 3320600 34.6313 -10.2236 41.4016 -10.2236 5.3746 10.4308 41.4017 10.4308 -5.20339 GPRESSAVG: 3320600 35.5326 -9.63635 39.1707 -9.45102 5.91258 10.6383 41.7254 12.7322 -6.92025 TIMING: 3320600 CPU: 10494.1, 0.00315114/step Wall: 10494.1, 0.00315114/step, 1.47001 hours remaining, 238.046875 MB of memory in use. ENERGY: 3320600 3984.0547 20549.7167 14466.1499 235.3965 -203477.8606 2401.9457 0.0000 0.0000 51994.6236 -109845.9735 298.8138 -161840.5971 -109479.1301 297.9375 171.8713 197.1497 760763.0336 11.6008 11.5083 PRESSURE: 3320800 283.495 -108.626 -85.7093 -108.626 -104.634 114.092 -85.7101 114.093 75.2385 GPRESSURE: 3320800 333.287 -207.133 -144.421 -33.9996 -91.2481 69.2308 -117.633 119.691 113.886 PRESSAVG: 3320800 -39.029 10.3293 54.9796 10.3292 18.7277 -20.4077 54.9796 -20.4077 8.52383 GPRESSAVG: 3320800 -39.6872 11.3357 58.0761 8.89097 17.5957 -20.7738 52.6907 -21.7747 9.71737 TIMING: 3320800 CPU: 10494.7, 0.00313656/step Wall: 10494.7, 0.00313656/step, 1.46303 hours remaining, 238.046875 MB of memory in use. ENERGY: 3320800 4099.8386 20520.4362 14393.3368 230.1757 -203981.7658 2923.0770 0.0000 0.0000 52157.3974 -109657.5042 299.7493 -161814.9016 -109289.8579 298.8569 84.6996 118.6415 760659.4492 -3.9258 -4.1247 PRESSURE: 3321000 -229.663 130.989 72.4952 130.988 397.494 -238.72 72.4956 -238.719 371.922 GPRESSURE: 3321000 -25.9405 147.357 91.2361 86.7364 230.129 -159.687 17.4671 -225.284 421.659 PRESSAVG: 3321000 44.5356 -49.393 -16.3103 -49.3931 -67.774 26.5354 -16.3103 26.5354 -10.6042 GPRESSAVG: 3321000 45.4427 -48.5432 -17.6022 -50.2565 -67.4678 26.295 -15.4213 26.8296 -11.5657 TIMING: 3321000 CPU: 10495.3, 0.00313964/step Wall: 10495.3, 0.00313964/step, 1.46429 hours remaining, 238.046875 MB of memory in use. ENERGY: 3321000 3986.3740 20528.6038 14543.4180 248.4995 -203929.2553 2895.1879 0.0000 0.0000 52002.4489 -109724.7234 298.8588 -161727.1722 -109356.6579 298.8733 179.9178 208.6160 761845.3838 -11.2809 -11.1969 PRESSURE: 3321200 -175.382 -2.58194 -131.431 -2.58234 255.471 -256.519 -131.429 -256.518 -24.7304 GPRESSURE: 3321200 -170.923 23.9127 -109.914 10.4692 277.224 -190.615 -67.079 -268.081 40.8371 PRESSAVG: 3321200 -16.1306 -50.2484 6.15649 -50.2485 37.8034 -16.1065 6.15652 -16.1065 8.04006 GPRESSAVG: 3321200 -17.3783 -51.482 5.77413 -48.9553 38.968 -14.4142 7.92537 -16.1196 8.014 TIMING: 3321200 CPU: 10495.9, 0.00313233/step Wall: 10495.9, 0.00313233/step, 1.46071 hours remaining, 238.046875 MB of memory in use. ENERGY: 3321200 3993.9397 20475.9120 14478.9016 228.5603 -203369.9718 2581.8221 0.0000 0.0000 52008.9694 -109601.8668 298.8963 -161610.8362 -109240.8642 299.1540 18.4529 49.0461 762246.6478 9.9043 9.8679 PRESSURE: 3321400 -7.87161 -24.9491 78.9712 -24.9498 -390.908 101.369 78.9716 101.37 28.801 GPRESSURE: 3321400 -6.12986 -0.0949052 39.3865 -42.2408 -325.103 50.303 33.4142 40.0296 40.8958 PRESSAVG: 3321400 -24.5097 -21.2206 39.5929 -21.2207 17.3722 27.5669 39.5928 27.5668 -18.5521 GPRESSAVG: 3321400 -24.3385 -20.9462 38.4007 -22.2256 16.9646 25.8803 38.1919 28.4406 -18.6009 TIMING: 3321400 CPU: 10496.6, 0.00314586/step Wall: 10496.6, 0.00314586/step, 1.46685 hours remaining, 238.046875 MB of memory in use. ENERGY: 3321400 3952.5898 20473.8388 14454.0630 265.6800 -203465.2709 2503.9938 0.0000 0.0000 52121.2988 -109693.8067 299.5418 -161815.1054 -109328.6076 298.4805 -123.3262 -96.7791 761836.7766 -8.5632 -8.6583 PRESSURE: 3321600 -136.901 24.9133 92.5767 24.9139 -442.833 43.7556 92.5768 43.7563 -532.396 GPRESSURE: 3321600 -187.899 -41.8864 77.5606 28.069 -392.176 -76.4362 24.8504 26.1785 -441.28 PRESSAVG: 3321600 45.4979 -41.424 -11.8398 -41.424 -17.7509 27.2196 -11.8398 27.2195 0.348927 GPRESSAVG: 3321600 45.4055 -41.3871 -11.5481 -40.1311 -18.1058 29.5285 -10.5924 24.6243 0.803274 TIMING: 3321600 CPU: 10497.2, 0.00314585/step Wall: 10497.2, 0.00314585/step, 1.46666 hours remaining, 238.046875 MB of memory in use. ENERGY: 3321600 4033.8298 20565.0777 14331.8689 249.2664 -203414.4027 2508.6728 0.0000 0.0000 51928.3558 -109797.3313 298.4330 -161725.6870 -109436.3813 299.0882 -370.7098 -340.4520 761545.2671 9.3653 9.3676 PRESSURE: 3321800 -215.219 159.888 -46.6328 159.888 -207.392 90.8541 -46.6324 90.8547 48.0425 GPRESSURE: 3321800 -140.548 166.59 -31.9742 89.6058 -195.263 110.617 -58.9587 184.906 55.8882 PRESSAVG: 3321800 -2.00794 -18.9698 34.0913 -18.9697 -23.0089 9.84072 34.0914 9.84067 -14.0354 GPRESSAVG: 3321800 0.0479914 -19.8176 34.8098 -18.1502 -23.3201 7.8292 32.1591 11.1484 -15.3321 TIMING: 3321800 CPU: 10497.8, 0.00313124/step Wall: 10497.8, 0.00313124/step, 1.45968 hours remaining, 238.046875 MB of memory in use. ENERGY: 3321800 4031.5669 20372.4121 14408.7325 249.8584 -203409.3091 2646.6055 0.0000 0.0000 51790.8120 -109909.3217 297.6425 -161700.1337 -109541.8912 298.2728 -124.8563 -93.3073 760489.7368 -13.0174 -12.8681 PRESSURE: 3322000 -71.5526 -140.567 -60.6669 -140.566 -91.6282 -253.93 -60.6663 -253.93 90.8138 GPRESSURE: 3322000 -34.7315 -148.787 6.76171 -157.552 -2.8752 -149.847 -97.5359 -238.113 55.551 PRESSAVG: 3322000 -6.8521 -7.24988 26.7455 -7.24988 -3.97739 21.9391 26.7454 21.9391 1.38576 GPRESSAVG: 3322000 -7.97804 -8.55993 26.1775 -7.21808 -4.16421 23.9229 28.5288 21.0176 1.80372 TIMING: 3322000 CPU: 10498.4, 0.00313697/step Wall: 10498.4, 0.00313697/step, 1.46218 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3322000 3991.1082 20596.8762 14442.0504 245.9013 -203521.1411 2609.0152 0.0000 0.0000 51839.8545 -109796.3352 297.9244 -161636.1897 -109438.1257 298.6938 -24.1223 5.9814 760270.2520 -3.1479 -3.4462 PRESSURE: 3322200 413.94 -181.138 -173.883 -181.139 -143.969 87.725 -173.883 87.7248 -89.3915 GPRESSURE: 3322200 354.191 -226.013 -114.77 -134.122 -52.0612 79.1437 -135.154 123.36 -28.9072 PRESSAVG: 3322200 -6.25542 -36.4399 -19.3726 -36.4399 10.9179 62.1518 -19.3726 62.1519 11.3002 GPRESSAVG: 3322200 -7.12447 -35.7608 -20.46 -37.646 10.9886 62.0889 -17.1597 65.211 11.9575 TIMING: 3322200 CPU: 10499.1, 0.00314202/step Wall: 10499.1, 0.00314202/step, 1.46436 hours remaining, 238.046875 MB of memory in use. ENERGY: 3322200 3999.9443 20489.0609 14493.0293 226.0593 -203673.1045 2782.3437 0.0000 0.0000 51854.2589 -109828.4081 298.0071 -161682.6670 -109467.9998 298.8477 60.1933 91.0744 761273.4930 5.3209 5.2739 PRESSURE: 3322400 -165.605 222.911 88.6007 222.912 -64.8471 241.275 88.6 241.275 25.0842 GPRESSURE: 3322400 -27.0627 239.6 111.204 283.508 -39.4706 191.54 67.2832 159.847 -49.798 PRESSAVG: 3322400 12.4227 -42.9087 -20.8006 -42.9087 -1.54774 51.0542 -20.8006 51.0542 17.4802 GPRESSAVG: 3322400 13.2937 -42.5608 -19.2998 -43.6297 -1.58991 49.5665 -23.6403 49.1873 17.1283 TIMING: 3322400 CPU: 10499.7, 0.00314124/step Wall: 10499.7, 0.00314124/step, 1.46382 hours remaining, 238.046875 MB of memory in use. ENERGY: 3322400 4051.2480 20472.9866 14468.8188 263.1590 -203831.7949 2743.0432 0.0000 0.0000 51945.8669 -109886.6723 298.5336 -161832.5393 -109521.8675 298.2532 -68.4559 -38.7771 758822.7804 9.4517 9.6107 PRESSURE: 3322600 246.148 102.578 0.658693 102.578 -8.14295 20.223 0.659252 20.222 -209.581 GPRESSURE: 3322600 215.074 106.756 15.7486 117.147 38.2718 48.3185 109.533 -3.73489 -134.69 PRESSAVG: 3322600 -21.4592 -33.1949 -27.3318 -33.1949 29.7621 36.7756 -27.3319 36.7757 23.9948 GPRESSAVG: 3322600 -21.5528 -34.1055 -27.3312 -32.3912 29.2364 39.1642 -25.5844 35.6272 24.3897 TIMING: 3322600 CPU: 10500.3, 0.00313633/step Wall: 10500.3, 0.00313633/step, 1.46136 hours remaining, 238.046875 MB of memory in use. ENERGY: 3322600 3951.5486 20490.7732 14437.6982 268.6984 -203743.9308 2601.1904 0.0000 0.0000 52031.0541 -109962.9680 299.0232 -161994.0221 -109598.1465 298.5042 9.4748 39.5519 759532.2560 10.7659 10.6911 PRESSURE: 3322800 37.4301 -27.0559 161.587 -27.0561 -5.73164 278.12 161.588 278.121 125.095 GPRESSURE: 3322800 93.5468 17.481 230.171 25.3786 4.54826 193.651 74.2525 264.519 139.295 PRESSAVG: 3322800 -15.9288 -11.1816 -47.016 -11.1816 -30.3552 25.4559 -47.0159 25.4559 -23.447 GPRESSAVG: 3322800 -17.0206 -10.9137 -47.1834 -9.34744 -29.1139 22.9375 -46.6785 26.0613 -23.5029 TIMING: 3322800 CPU: 10501, 0.00314108/step Wall: 10501, 0.00314108/step, 1.46339 hours remaining, 238.046875 MB of memory in use. ENERGY: 3322800 3970.5004 20522.8028 14419.7377 260.3677 -203660.8812 2633.5452 0.0000 0.0000 51898.5207 -109955.4067 298.2615 -161853.9274 -109593.9355 298.1751 52.2645 79.1301 760137.8386 -23.2437 -23.2125 PRESSURE: 3323000 32.4584 -32.3911 -115.973 -32.3908 0.967975 47.6016 -115.973 47.6021 95.0124 GPRESSURE: 3323000 102.952 -204.102 -136.468 -12.544 24.9939 84.621 -167.055 73.6754 86.4068 PRESSAVG: 3323000 6.6617 -22.7394 -15.6027 -22.7394 8.89953 50.4464 -15.6027 50.4464 15.0806 GPRESSAVG: 3323000 9.34532 -22.401 -16.2229 -24.471 7.89788 51.8974 -16.3255 50.8042 13.6946 TIMING: 3323000 CPU: 10501.6, 0.00313656/step Wall: 10501.6, 0.00313656/step, 1.46111 hours remaining, 238.046875 MB of memory in use. ENERGY: 3323000 4060.6520 20445.1881 14353.8008 268.1540 -203683.8968 2502.0368 0.0000 0.0000 52036.2578 -110017.8073 299.0531 -162054.0651 -109660.7598 298.5796 42.8129 71.4510 758547.6661 10.2139 10.3126 PRESSURE: 3323200 32.6369 25.923 -66.6625 25.923 5.66005 20.0386 -66.6624 20.0383 -114.15 GPRESSURE: 3323200 -11.9367 -24.2981 -39.0203 -110.542 115.992 140.555 -179.861 -48.1027 -81.898 PRESSAVG: 3323200 -2.04933 3.25624 -41.9402 3.25626 2.09647 34.5047 -41.9401 34.5047 9.56378 GPRESSAVG: 3323200 -3.84913 3.84508 -41.5647 3.08223 2.39498 33.2976 -41.1809 33.6238 11.8086 TIMING: 3323200 CPU: 10502.2, 0.00313987/step Wall: 10502.2, 0.00313987/step, 1.46248 hours remaining, 238.046875 MB of memory in use. ENERGY: 3323200 3983.3616 20405.8698 14396.9412 265.8915 -203581.2649 2831.5408 0.0000 0.0000 51794.2939 -109903.3663 297.6625 -161697.6601 -109547.6674 298.5820 -25.2845 7.3858 761251.7203 3.2036 3.4515 PRESSURE: 3323400 -4.85458 165.989 -5.78286 165.988 213.832 -104.036 -5.78269 -104.036 58.8199 GPRESSURE: 3323400 39.148 138.286 4.17156 107.396 152.286 -18.6924 -99.0034 -152.811 176.23 PRESSAVG: 3323400 -11.2281 13.9112 -7.35492 13.9111 10.7225 33.9517 -7.35483 33.9517 16.6955 GPRESSAVG: 3323400 -11.0297 13.6834 -7.15185 14.8228 10.8908 34.664 -9.211 32.9418 16.1733 TIMING: 3323400 CPU: 10502.8, 0.00313429/step Wall: 10502.8, 0.00313429/step, 1.45971 hours remaining, 238.046875 MB of memory in use. ENERGY: 3323400 3988.5200 20469.4462 14441.4240 250.9911 -203490.7415 2676.9427 0.0000 0.0000 51687.5002 -109975.9174 297.0488 -161663.4176 -109623.9759 297.9671 89.2657 122.5549 762445.5574 5.3967 5.3448 PRESSURE: 3323600 -226.209 -87.5011 -139.627 -87.5009 -321.207 -21.3702 -139.626 -21.3706 -146.162 GPRESSURE: 3323600 -223.614 -2.68193 -154.304 -14.1379 -259.951 49.2006 -23.7815 -179.199 -132.426 PRESSAVG: 3323600 -23.0705 -17.7764 -11.0212 -17.7763 -36.7213 -16.5192 -11.0212 -16.5192 -6.42469 GPRESSAVG: 3323600 -22.5607 -19.3871 -10.2404 -18.0407 -37.3868 -15.1011 -11.7418 -15.0252 -5.98544 TIMING: 3323600 CPU: 10503.5, 0.00313761/step Wall: 10503.5, 0.00313761/step, 1.46108 hours remaining, 238.046875 MB of memory in use. ENERGY: 3323600 3962.6482 20465.1174 14423.9360 236.5347 -203483.5139 2549.8279 0.0000 0.0000 52034.3339 -109811.1156 299.0420 -161845.4496 -109447.7362 298.1454 -231.1926 -205.3303 761699.7770 -22.0722 -21.9776 PRESSURE: 3323800 173.725 21.9053 3.07368 21.905 183.965 -244.326 3.07342 -244.326 224.439 GPRESSURE: 3323800 213.293 61.1404 52.0362 118.658 238.856 -103.85 -6.61034 -169.966 213.986 PRESSAVG: 3323800 37.0833 25.2108 -27.2539 25.2109 5.56753 13.5691 -27.2539 13.5691 -12.943 GPRESSAVG: 3323800 36.8182 24.7504 -27.0617 25.2426 7.16258 11.2266 -26.031 16.7053 -13.7882 TIMING: 3323800 CPU: 10504.1, 0.00314486/step Wall: 10504.1, 0.00314486/step, 1.46428 hours remaining, 238.046875 MB of memory in use. ENERGY: 3323800 3977.2157 20485.2793 14426.5168 246.2049 -203787.6814 3052.6892 0.0000 0.0000 51746.4107 -109853.3648 297.3873 -161599.7755 -109505.7782 298.4901 194.0427 222.0448 759073.1970 9.9026 10.0642 PRESSURE: 3324000 -204.313 -165.254 -104.877 -165.255 133.32 124.752 -104.877 124.752 87.3173 GPRESSURE: 3324000 -110.384 -227.188 -91.4433 24.5748 96.0534 187.023 -81.328 244.857 125.009 PRESSAVG: 3324000 -18.1174 10.75 33.9943 10.7501 2.22595 57.3722 33.9943 57.3721 -1.2246 GPRESSAVG: 3324000 -16.3862 9.74937 32.2522 10.6934 0.197072 58.0127 35.9271 55.4057 -1.6204 TIMING: 3324000 CPU: 10504.7, 0.00313218/step Wall: 10504.7, 0.00313218/step, 1.4582 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3324000 3914.6346 20459.8565 14435.6275 232.3632 -203602.3048 2761.8155 0.0000 0.0000 51893.5118 -109904.4957 298.2327 -161798.0075 -109549.0052 298.0472 5.4417 36.8927 761529.7919 -5.7053 -5.9365 PRESSURE: 3324200 167.487 74.331 28.4002 74.3311 -141.069 -110.94 28.4008 -110.939 160.052 GPRESSURE: 3324200 225.837 92.5515 43.7956 119.593 -103.872 -190.381 64.729 -17.3791 152.001 PRESSAVG: 3324200 2.10499 -10.6466 2.59453 -10.6466 -14.0787 1.02999 2.59452 1.02999 -4.52165 GPRESSAVG: 3324200 0.321898 -9.10217 4.77318 -11.1299 -12.2605 0.836932 -0.388413 1.31174 -3.77678 TIMING: 3324200 CPU: 10505.4, 0.00314752/step Wall: 10505.4, 0.00314752/step, 1.46517 hours remaining, 238.046875 MB of memory in use. ENERGY: 3324200 3945.3046 20466.2622 14375.7400 248.2452 -203208.4891 2538.8149 0.0000 0.0000 51906.5807 -109727.5415 298.3078 -161634.1222 -109372.5330 298.3667 62.1568 91.3219 761495.1674 -5.4985 -5.2385 LDB: ============= START OF LOAD BALANCING ============== 10517.8 LDB: ============== END OF LOAD BALANCING =============== 10517.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10517.8 LDB: ============= START OF LOAD BALANCING ============== 10518.1 LDB: Largest compute 7055 load 0.033841 is 17.2% of average load 0.196206 LDB: Average compute 0.004397 is 2.2% of average load 0.196206 LDB: TIME 10518.1 LOAD: AVG 0.196206 MAX 0.215124 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 10518.1 LOAD: AVG 0.196206 MAX 0.215124 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 10518.1 LOAD: AVG 0.196206 MAX 0.215124 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 10518.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10518.1 PRESSURE: 3324400 -39.5586 -46.1137 -24.1743 -46.1128 -243.25 6.78016 -24.1739 6.78104 435.281 GPRESSURE: 3324400 -25.0588 87.2463 26.7186 -50.1404 -79.1636 11.5231 -37.0258 28.5531 329.7 PRESSAVG: 3324400 -25.7561 -19.839 30.9996 -19.839 -15.43 16.5223 30.9996 16.5224 23.5745 GPRESSAVG: 3324400 -24.652 -20.8869 29.7162 -17.6059 -15.2704 17.0174 32.0589 16.8346 22.634 TIMING: 3324400 CPU: 10506, 0.00324893/step Wall: 10506, 0.00324893/step, 1.5122 hours remaining, 239.050781 MB of memory in use. ENERGY: 3324400 4035.0900 20609.5124 14467.7858 243.8001 -203091.7363 2376.4222 0.0000 0.0000 51697.3564 -109661.7694 297.1054 -161359.1258 -109294.5911 298.4142 50.8239 75.1592 761287.0774 -5.8706 -5.7628 PRESSURE: 3324600 217.902 -43.1612 -18.7471 -43.1608 140.126 110.059 -18.7472 110.058 -9.43522 GPRESSURE: 3324600 205.537 3.08799 -14.3967 46.4122 218.683 167.936 -73.8089 73.2396 -11.6501 PRESSAVG: 3324600 6.46401 -16.6278 -8.96565 -16.6278 6.74035 -18.4651 -8.96565 -18.4651 10.562 GPRESSAVG: 3324600 7.9286 -14.1504 -8.81221 -18.7062 5.50601 -17.4821 -8.28381 -19.985 10.5397 TIMING: 3324600 CPU: 10506.6, 0.00315704/step Wall: 10506.6, 0.00315704/step, 1.46925 hours remaining, 239.253906 MB of memory in use. ENERGY: 3324600 3944.8416 20520.3508 14479.8098 228.8449 -203846.0123 3089.4373 0.0000 0.0000 52005.8039 -109576.9240 298.8781 -161582.7279 -109213.1603 298.5528 116.1977 137.5233 762095.7294 7.9221 7.9914 PRESSURE: 3324800 -0.535016 -103.161 -171.815 -103.161 -63.6359 48.6095 -171.814 48.6098 108.217 GPRESSURE: 3324800 94.0853 -71.5697 -159.878 -60.2465 -32.8936 119.022 -160.367 -43.3737 84.7347 PRESSAVG: 3324800 42.4609 -0.239318 -23.6318 -0.239294 -55.6808 15.079 -23.6317 15.079 20.6854 GPRESSAVG: 3324800 41.6771 -0.612662 -24.8733 0.0795433 -56.1939 14.2471 -23.9081 16.0479 22.2275 TIMING: 3324800 CPU: 10507.3, 0.00314075/step Wall: 10507.3, 0.00314075/step, 1.4615 hours remaining, 239.253906 MB of memory in use. ENERGY: 3324800 3950.3789 20444.7378 14414.4504 252.6114 -203677.2127 3022.0382 0.0000 0.0000 51945.8750 -109647.1210 298.5337 -161592.9960 -109290.4274 298.3083 14.6822 48.6421 761668.3940 2.4885 2.5702 PRESSURE: 3325000 -225.552 -237.956 18.5517 -237.956 -416.027 63.0454 18.5519 63.046 -879.258 GPRESSURE: 3325000 -177.374 -231.953 -93.6367 -213.808 -354.673 36.8284 82.8284 72.9046 -912.063 PRESSAVG: 3325000 18.4638 1.33079 8.15353 1.33087 -7.46977 6.61061 8.15345 6.61061 4.10353 GPRESSAVG: 3325000 18.0013 1.82867 9.20042 -0.0167907 -6.49943 6.32371 8.38432 5.78985 3.50181 TIMING: 3325000 CPU: 10507.9, 0.00312253/step Wall: 10507.9, 0.00312253/step, 1.45284 hours remaining, 239.253906 MB of memory in use. ENERGY: 3325000 4007.5807 20403.1045 14409.1145 230.9306 -202955.2821 2278.2934 0.0000 0.0000 51931.0030 -109695.2554 298.4482 -161626.2584 -109334.4543 298.3094 -506.9457 -481.3700 762258.4156 5.0325 5.0012 PRESSURE: 3325200 -61.4142 110.519 -199.028 110.518 15.8116 193.944 -199.029 193.944 138.108 GPRESSURE: 3325200 57.1909 130.196 -237.823 168.344 23.4252 204.001 -110.586 114.844 103.474 PRESSAVG: 3325200 13.7731 6.06481 3.85706 6.06479 -0.921596 -15.268 3.85711 -15.2681 8.3633 GPRESSAVG: 3325200 15.2395 6.31316 4.12702 5.88198 -1.53493 -14.8268 4.07868 -16.9828 7.47439 TIMING: 3325200 CPU: 10508.5, 0.00313331/step Wall: 10508.5, 0.00313331/step, 1.45769 hours remaining, 239.253906 MB of memory in use. ENERGY: 3325200 3968.0224 20587.7318 14443.9103 234.3691 -203408.6013 2816.4697 0.0000 0.0000 51754.6977 -109603.4003 297.4350 -161358.0980 -109245.7116 298.4424 30.8352 61.3634 761305.7170 7.0716 7.0596 PRESSURE: 3325400 -101.397 34.8442 -274.729 34.844 -257.335 111.257 -274.729 111.255 -433.554 GPRESSURE: 3325400 -43.608 70.3873 -195.82 22.6183 -300.623 144.983 -237.533 -46.6871 -353.039 PRESSAVG: 3325400 32.7655 29.2691 6.57887 29.269 -4.97834 -5.38866 6.57887 -5.38867 -12.321 GPRESSAVG: 3325400 32.1334 28.7934 5.70137 30.8429 -4.05226 -5.54668 5.52566 -3.45224 -12.3599 TIMING: 3325400 CPU: 10509.1, 0.00313236/step Wall: 10509.1, 0.00313236/step, 1.45707 hours remaining, 239.253906 MB of memory in use. ENERGY: 3325400 3954.0355 20520.5302 14489.0223 249.2916 -203593.8041 2739.7389 0.0000 0.0000 52011.3303 -109629.8552 298.9098 -161641.1855 -109256.9122 298.4412 -264.0955 -232.4235 760134.3610 5.1554 5.2404 PRESSURE: 3325600 -173.532 46.0173 -31.5602 46.0177 77.1349 -326.684 -31.5606 -326.684 23.319 GPRESSURE: 3325600 -169.356 63.2062 30.1874 49.5035 140.837 -278.342 -35.2486 -342.081 26.0754 PRESSAVG: 3325600 0.113572 12.8178 15.2624 12.8178 3.71562 1.9958 15.2625 1.99574 -5.46816 GPRESSAVG: 3325600 -0.891707 13.9121 15.213 9.79577 3.57649 3.72239 15.9752 1.23868 -4.95019 TIMING: 3325600 CPU: 10509.8, 0.00313011/step Wall: 10509.8, 0.00313011/step, 1.45585 hours remaining, 239.253906 MB of memory in use. ENERGY: 3325600 3913.4275 20482.5298 14440.8164 242.1558 -203383.0998 2608.4635 0.0000 0.0000 52083.1093 -109612.5974 299.3223 -161695.7067 -109252.6369 298.7231 -24.3595 -0.8143 760995.0804 -0.5463 -0.7551 PRESSURE: 3325800 -41.4436 -253.53 66.492 -253.531 -181.657 2.87347 66.4914 2.87357 297.919 GPRESSURE: 3325800 20.6618 -141.296 49.5088 -195.468 -152.464 -10.5144 18.9337 48.8743 299.498 PRESSAVG: 3325800 -51.6271 5.97131 9.3483 5.97132 35.7302 -23.2044 9.34829 -23.2043 20.5615 GPRESSAVG: 3325800 -52.5741 4.94616 9.78021 8.18969 35.4829 -24.1446 8.51914 -23.9198 21.8981 TIMING: 3325800 CPU: 10510.4, 0.00314373/step Wall: 10510.4, 0.00314373/step, 1.46201 hours remaining, 239.253906 MB of memory in use. ENERGY: 3325800 3963.3697 20440.2394 14444.0765 247.4089 -203337.1938 2542.0258 0.0000 0.0000 52217.7618 -109482.3117 300.0962 -161700.0735 -109123.1011 299.0725 24.9396 55.8984 761602.1677 1.5549 1.6023 PRESSURE: 3326000 213.892 -30.0707 126.848 -30.0706 -146.287 11.0245 126.848 11.0236 7.41778 GPRESSURE: 3326000 259.752 2.96606 105.598 58.7264 -112.928 -40.876 78.6701 126.588 4.18943 PRESSAVG: 3326000 22.3298 -17.9432 3.76387 -17.9432 1.14812 -25.6558 3.76383 -25.6559 -0.941188 GPRESSAVG: 3326000 24.6239 -17.7252 3.18388 -17.4671 0.504545 -26.5301 3.89369 -24.1193 -3.16037 TIMING: 3326000 CPU: 10511, 0.0031628/step Wall: 10511, 0.0031628/step, 1.4707 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3326000 3964.4693 20462.9717 14444.1414 247.7350 -202990.3171 2420.6171 0.0000 0.0000 51886.0415 -109564.3411 298.1898 -161450.3826 -109200.1111 299.0950 25.0076 50.3375 760035.6771 7.5122 7.3227 PRESSURE: 3326200 -204.59 -72.9916 -156.478 -72.9911 -181.266 201.117 -156.48 201.117 207.636 GPRESSURE: 3326200 -136.925 0.685333 -190.652 57.1245 -119.573 234.375 -107.731 128.62 166.578 PRESSAVG: 3326200 53.8446 -44.07 51.3592 -44.07 -27.9142 13.7447 51.3591 13.7446 -8.09631 GPRESSAVG: 3326200 53.8151 -43.3381 51.5097 -43.0467 -29.1514 14.0052 52.0573 12.6329 -6.93801 TIMING: 3326200 CPU: 10511.7, 0.00317531/step Wall: 10511.7, 0.00317531/step, 1.47634 hours remaining, 239.253906 MB of memory in use. ENERGY: 3326200 3897.4607 20579.6125 14464.0201 225.9093 -203307.7668 2576.2283 0.0000 0.0000 51852.8408 -109711.6952 297.9990 -161564.5360 -109364.7610 299.0066 -59.4069 -29.9733 762887.9817 5.9447 5.9085 PRESSURE: 3326400 575.424 188.711 -64.7111 188.711 -35.7665 139.267 -64.7105 139.266 353.617 GPRESSURE: 3326400 512.365 102.965 -184.823 233.002 48.4696 90.9525 -79.252 46.2549 420.904 PRESSAVG: 3326400 56.4117 -56.0279 -36.4201 -56.0279 -61.5648 51.3447 -36.4201 51.3447 16.71 GPRESSAVG: 3326400 56.957 -55.9531 -36.0225 -58.2187 -61.4231 53.685 -34.9595 51.2032 16.3869 TIMING: 3326400 CPU: 10512.3, 0.00315141/step Wall: 10512.3, 0.00315141/step, 1.46506 hours remaining, 239.253906 MB of memory in use. ENERGY: 3326400 3908.9299 20428.2216 14351.3365 259.0667 -203274.3075 2853.0635 0.0000 0.0000 51830.4119 -109643.2774 297.8701 -161473.6893 -109284.1506 298.5380 297.7581 327.2464 762096.9636 3.8523 3.9736 PRESSURE: 3326600 319.98 -166.633 104.188 -166.633 129.075 -34.5236 104.188 -34.5248 57.5569 GPRESSURE: 3326600 221.579 -103.95 145.249 -91.9381 313.467 -20.7292 112.61 59.6521 58.0776 PRESSAVG: 3326600 26.6934 -39.7735 -4.09059 -39.7735 -5.57696 19.5626 -4.09058 19.5626 13.2924 GPRESSAVG: 3326600 26.2728 -40.5141 -2.72832 -36.9121 -4.3477 18.6779 -4.53707 20.5756 12.0883 TIMING: 3326600 CPU: 10512.9, 0.00312487/step Wall: 10512.9, 0.00312487/step, 1.45254 hours remaining, 239.253906 MB of memory in use. ENERGY: 3326600 3931.5542 20552.2405 14372.9630 245.9350 -202889.3630 2459.1101 0.0000 0.0000 51961.7371 -109365.8230 298.6248 -161327.5602 -109010.3692 298.5460 168.8708 197.7080 761115.1479 11.4696 11.3378 PRESSURE: 3326800 56.9913 -33.3273 127.318 -33.3284 -46.0588 304.893 127.317 304.894 -126.401 GPRESSURE: 3326800 153.557 -78.842 40.5034 -104.947 -98.452 380.267 138.029 294.128 -93.356 PRESSAVG: 3326800 -22.4006 -9.64684 30.6716 -9.64686 36.2103 -15.6879 30.6715 -15.6879 4.03621 GPRESSAVG: 3326800 -23.8612 -7.79856 32.1293 -12.5802 36.0691 -15.9831 28.442 -15.4746 5.65587 TIMING: 3326800 CPU: 10513.5, 0.00315658/step Wall: 10513.5, 0.00315658/step, 1.46711 hours remaining, 239.253906 MB of memory in use. ENERGY: 3326800 3973.5097 20596.9629 14382.9578 252.0228 -203308.4424 2543.9421 0.0000 0.0000 52368.3295 -109190.7175 300.9615 -161559.0470 -108830.8426 299.4693 -38.4896 -12.7505 758987.0927 5.9486 5.9546 PRESSURE: 3327000 -5.35736 -38.4499 60.5524 -38.45 25.9424 358.577 60.5525 358.577 -290.109 GPRESSURE: 3327000 57.3974 -33.0885 -25.7211 7.12912 34.7978 245.773 53.0722 247.867 -280.282 PRESSAVG: 3327000 11.3208 2.66105 19.3532 2.66105 17.0142 0.0317178 19.3532 0.031747 -4.94092 GPRESSAVG: 3327000 11.1927 1.7574 16.9513 4.59879 17.1986 -0.304045 19.0418 0.791835 -5.49726 TIMING: 3327000 CPU: 10514.2, 0.00316316/step Wall: 10514.2, 0.00316316/step, 1.46999 hours remaining, 239.253906 MB of memory in use. ENERGY: 3327000 4032.0079 20611.6808 14353.7799 252.7163 -202798.5066 2168.0836 0.0000 0.0000 52113.4366 -109266.8015 299.4966 -161380.2381 -108920.7009 299.6662 -89.8412 -62.6955 759757.4227 7.7981 7.6313 PRESSURE: 3327200 -42.1798 -5.20931 -160.148 -5.20847 37.9987 4.82634 -160.147 4.82593 131.662 GPRESSURE: 3327200 -69.2228 -89.4927 -228.089 40.325 145.809 55.8364 -86.3944 -73.7407 134.36 PRESSAVG: 3327200 8.36717 14.3029 -34.4548 14.3029 -18.8411 -19.7442 -34.4548 -19.7442 1.25578 GPRESSAVG: 3327200 8.11066 13.5308 -35.8555 12.068 -19.1422 -21.9225 -31.4999 -21.3694 1.51077 TIMING: 3327200 CPU: 10514.8, 0.0031701/step Wall: 10514.8, 0.0031701/step, 1.47304 hours remaining, 239.253906 MB of memory in use. ENERGY: 3327200 4001.6181 20626.9602 14361.6310 253.8284 -202921.5523 2464.6967 0.0000 0.0000 52094.4629 -109118.3550 299.3876 -161212.8179 -108764.6035 299.4701 42.4937 70.3155 760100.8798 -3.0727 -3.1736 PRESSURE: 3327400 192.296 268.783 -138.842 268.782 69.6709 -182.906 -138.843 -182.906 25.6 GPRESSURE: 3327400 260.117 273.505 -196.321 380.827 60.8657 -116.18 -49.1263 -95.0385 52.5811 PRESSAVG: 3327400 -6.35986 29.0292 -70.3214 29.0292 27.816 -10.3377 -70.3214 -10.3378 20.8152 GPRESSAVG: 3327400 -4.89649 28.8176 -69.1577 32.9488 27.4631 -8.60257 -71.6523 -9.2679 19.8485 TIMING: 3327400 CPU: 10515.4, 0.00315695/step Wall: 10515.4, 0.00315695/step, 1.46675 hours remaining, 239.253906 MB of memory in use. ENERGY: 3327400 4017.5900 20573.1694 14374.4117 230.5600 -202826.7724 2495.0486 0.0000 0.0000 52459.4439 -108676.5487 301.4851 -161135.9926 -108313.4836 300.6410 95.8557 124.5213 760826.2882 14.0904 14.1384 PRESSURE: 3327600 -138.933 -9.79402 -141.802 -9.79334 -223.154 -185.696 -141.801 -185.697 -178.149 GPRESSURE: 3327600 -128.535 36.9656 -154.629 -109.216 -176.124 -220.429 -105.841 11.2729 -136.235 PRESSAVG: 3327600 -25.1288 29.9331 -101.744 29.9331 12.4911 17.6626 -101.744 17.6626 20.6555 GPRESSAVG: 3327600 -26.253 30.3685 -102.688 27.889 12.0653 17.011 -101.5 16.9819 22.2785 TIMING: 3327600 CPU: 10516.1, 0.00313553/step Wall: 10516.1, 0.00313553/step, 1.45663 hours remaining, 239.253906 MB of memory in use. ENERGY: 3327600 4059.0572 20549.6157 14401.0295 237.2500 -202631.4651 2235.1267 0.0000 0.0000 52360.7165 -108788.6695 300.9178 -161149.3860 -108414.8409 300.6578 -180.0786 -146.9647 764248.5686 2.6726 2.6969 PRESSURE: 3327800 -233.06 135.167 40.5405 135.167 68.28 41.9301 40.5398 41.9293 528.046 GPRESSURE: 3327800 -174.532 123.502 45.3436 111.962 90.0475 95.8945 12.7878 -41.2863 510.523 PRESSAVG: 3327800 12.7391 -18.7753 -16.5412 -18.7752 -24.451 31.8021 -16.5412 31.8021 21.1054 GPRESSAVG: 3327800 11.875 -17.8733 -15.3129 -19.4629 -24.107 33.6389 -16.5989 31.3072 21.3559 TIMING: 3327800 CPU: 10516.7, 0.0031367/step Wall: 10516.7, 0.0031367/step, 1.457 hours remaining, 239.253906 MB of memory in use. ENERGY: 3327800 4029.6490 20646.1462 14450.7868 261.6251 -203331.8068 2779.4759 0.0000 0.0000 52012.5927 -109151.5311 298.9171 -161164.1238 -108796.6686 299.8615 121.0889 142.0129 762271.3479 3.1312 3.0413 PRESSURE: 3328000 -195.729 174.072 92.5746 174.071 -181.461 104.964 92.575 104.963 -115.821 GPRESSURE: 3328000 -147.695 143.265 33.8619 181.178 -88.5765 121.069 108.165 -24.1043 -167.672 PRESSAVG: 3328000 -43.9849 16.0254 6.0721 16.0254 68.078 -51.8357 6.07211 -51.8357 -5.14139 GPRESSAVG: 3328000 -43.8497 15.1892 6.95941 17.3926 68.1055 -53.7984 5.23855 -50.4692 -5.31682 TIMING: 3328000 CPU: 10517.3, 0.00314066/step Wall: 10517.3, 0.00314066/step, 1.45866 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3328000 4022.3465 20730.5680 14376.0210 246.6083 -202898.6872 2279.5217 0.0000 0.0000 52056.3424 -109187.2793 299.1685 -161243.6218 -108830.1557 299.5312 -164.3368 -134.6478 763001.1230 6.3172 6.3130 PRESSURE: 3328200 -159.735 21.8583 -181.254 21.8575 224.414 -128.225 -181.253 -128.223 90.5666 GPRESSURE: 3328200 -124.745 -38.2976 -214.455 133.529 247.164 -189.952 -278.554 -9.00081 124.454 PRESSAVG: 3328200 -9.82705 31.2699 -36.2188 31.2699 5.36629 -21.096 -36.2187 -21.096 7.89282 GPRESSAVG: 3328200 -8.73347 30.1097 -38.288 31.6814 4.0266 -21.21 -37.3262 -24.7155 8.52541 TIMING: 3328200 CPU: 10518, 0.00317173/step Wall: 10518, 0.00317173/step, 1.47292 hours remaining, 239.253906 MB of memory in use. ENERGY: 3328200 3997.3292 20675.8114 14442.2067 224.6950 -202871.3507 2288.2854 0.0000 0.0000 52147.7581 -109095.2649 299.6939 -161243.0230 -108726.1513 299.8711 51.7487 82.2912 759731.9456 1.1440 1.2728 LDB: ============= START OF LOAD BALANCING ============== 10530.4 LDB: ============== END OF LOAD BALANCING =============== 10530.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10530.4 LDB: ============= START OF LOAD BALANCING ============== 10530.7 LDB: Largest compute 7055 load 0.032723 is 16.7% of average load 0.196116 LDB: Average compute 0.004396 is 2.2% of average load 0.196116 LDB: TIME 10530.7 LOAD: AVG 0.196116 MAX 0.214041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 10530.7 LOAD: AVG 0.196116 MAX 0.214041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 10530.7 LOAD: AVG 0.196116 MAX 0.214041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 10530.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10530.7 PRESSURE: 3328400 -159.638 -104.345 52.4335 -104.346 38.319 -225.128 52.4326 -225.128 95.0779 GPRESSURE: 3328400 -45.6344 -161.445 27.2738 -62.7136 27.6273 -314.796 -17.0909 -172.866 85.4979 PRESSAVG: 3328400 -51.442 -45.5077 -62.0045 -45.5077 -4.01724 -24.5406 -62.0044 -24.5406 -1.56571 GPRESSAVG: 3328400 -51.8244 -45.685 -59.9203 -47.2648 -1.64737 -24.857 -62.4018 -21.5507 -3.23082 TIMING: 3328400 CPU: 10518.6, 0.00325039/step Wall: 10518.6, 0.00325039/step, 1.50927 hours remaining, 239.644531 MB of memory in use. ENERGY: 3328400 4043.0459 20454.1974 14425.6517 243.6293 -202999.2285 2551.8509 0.0000 0.0000 52495.6504 -108785.2029 301.6932 -161280.8533 -108424.8535 300.6422 -8.7471 22.4969 761221.9061 -19.0083 -18.9009 PRESSURE: 3328600 198.267 -217.176 -108.22 -217.177 221.281 59.4899 -108.22 59.4904 219.082 GPRESSURE: 3328600 188.361 -167.999 -30.8901 -200.237 197.79 128.083 -21.3797 -38.9495 342.448 PRESSAVG: 3328600 -96.0867 -23.7614 5.11355 -23.7614 71.4389 -23.0293 5.11355 -23.0293 -10.7315 GPRESSAVG: 3328600 -96.4517 -23.7656 5.69082 -21.9635 70.5515 -22.23 6.93294 -24.6209 -8.99531 TIMING: 3328600 CPU: 10519.2, 0.00315741/step Wall: 10519.2, 0.00315741/step, 1.46591 hours remaining, 239.644531 MB of memory in use. ENERGY: 3328600 3988.4591 20631.8514 14402.8334 269.7122 -202890.4082 2489.9751 0.0000 0.0000 52300.5874 -108806.9896 300.5722 -161107.5770 -108456.1774 300.7767 212.8764 242.8663 762673.9475 -11.7931 -11.6318 PRESSURE: 3328800 -465.5 -202.796 -2.6742 -202.796 -259.581 -81.7075 -2.67384 -81.7076 -530.043 GPRESSURE: 3328800 -394.81 -198.925 71.8977 -292.464 -293.371 -18.5748 -48.8414 33.2115 -475.409 PRESSAVG: 3328800 -44.0285 13.7458 -27.3537 13.7458 62.4855 35.0884 -27.3536 35.0884 -8.78868 GPRESSAVG: 3328800 -43.777 14.8242 -26.6086 11.2558 62.4111 35.2038 -29.9157 35.8838 -8.80054 TIMING: 3328800 CPU: 10519.9, 0.00316699/step Wall: 10519.9, 0.00316699/step, 1.47019 hours remaining, 239.644531 MB of memory in use. ENERGY: 3328800 3979.8252 20600.1892 14408.9780 232.6685 -202929.0736 2326.3654 0.0000 0.0000 52367.5086 -109013.5387 300.9568 -161381.0473 -108643.9735 300.4985 -418.3745 -387.8632 762081.4777 3.2228 3.2779 PRESSURE: 3329000 -142.895 -13.4683 219.94 -13.4679 -135.129 91.6254 219.939 91.6251 -49.2716 GPRESSURE: 3329000 -136.195 41.7788 179.262 40.0481 9.34046 63.4903 50.5253 62.603 -117.059 PRESSAVG: 3329000 -50.0176 -1.19899 -12.277 -1.19903 71.9509 55.1129 -12.277 55.1129 0.990813 GPRESSAVG: 3329000 -49.5614 -3.26582 -14.6697 1.47151 71.0668 55.1919 -9.52625 54.2562 1.26362 TIMING: 3329000 CPU: 10520.5, 0.00316151/step Wall: 10520.5, 0.00316151/step, 1.46747 hours remaining, 239.644531 MB of memory in use. ENERGY: 3329000 4002.0322 20567.6110 14415.6052 249.7513 -203146.2990 2614.4714 0.0000 0.0000 52277.4541 -109019.3739 300.4392 -161296.8279 -108655.6254 300.7922 -109.0984 -81.3047 761984.0363 7.6414 7.5897 PRESSURE: 3329200 -78.0087 60.7219 43.9313 60.7218 -176.309 -218.952 43.9308 -218.953 -256.379 GPRESSURE: 3329200 -136.964 -21.6157 6.3557 64.286 -35.8443 -181.875 58.4625 -174.856 -255.152 PRESSAVG: 3329200 -34.4013 48.3186 -0.0105109 48.3186 15.8359 38.048 -0.0104988 38.048 7.60071 GPRESSAVG: 3329200 -34.4801 49.4262 0.210401 45.6705 16.5875 37.5138 -1.71738 38.803 6.95659 TIMING: 3329200 CPU: 10521.1, 0.00313498/step Wall: 10521.1, 0.00313498/step, 1.45498 hours remaining, 239.644531 MB of memory in use. ENERGY: 3329200 3990.5220 20554.6840 14424.4204 243.2647 -203408.9955 2771.5598 0.0000 0.0000 52261.9444 -109162.6002 300.3501 -161424.5446 -108802.9596 300.3392 -170.2323 -142.6533 762448.0644 -3.6549 -3.6453 PRESSURE: 3329400 -50.7354 -101.259 -86.1414 -101.258 536.042 -77.1053 -86.1427 -77.1062 -106.325 GPRESSURE: 3329400 -35.817 -108.011 -21.6647 -8.01041 533.824 -24.2709 -11.4264 -63.2374 -30.8812 PRESSAVG: 3329400 17.6854 20.1968 -4.66662 20.1969 -17.3183 -15.6097 -4.66665 -15.6097 31.4826 GPRESSAVG: 3329400 18.1606 22.5417 -3.4578 21.8535 -17.3718 -12.9435 -4.96448 -16.1509 31.2266 TIMING: 3329400 CPU: 10521.8, 0.00314849/step Wall: 10521.8, 0.00314849/step, 1.46108 hours remaining, 239.644531 MB of memory in use. ENERGY: 3329400 4001.3567 20524.2955 14412.5317 240.5660 -203271.2291 2897.2396 0.0000 0.0000 52079.2078 -109116.0319 299.2999 -161195.2397 -108761.0403 299.9713 126.3271 155.7087 762412.5608 10.6166 10.6718 PRESSURE: 3329600 36.6714 41.8645 -20.8504 41.8641 -122.85 -5.28132 -20.8504 -5.28071 145.894 GPRESSURE: 3329600 45.7328 89.3773 -112.181 103.927 -58.2529 32.329 -37.1815 -15.0288 136.873 PRESSAVG: 3329600 -31.5499 -27.9799 -19.2299 -27.9799 17.9791 2.13593 -19.23 2.13596 -25.9815 GPRESSAVG: 3329600 -31.6788 -29.8997 -22.1926 -26.8216 19.1117 1.49972 -17.4934 1.97606 -27.2012 TIMING: 3329600 CPU: 10522.4, 0.0031488/step Wall: 10522.4, 0.0031488/step, 1.46104 hours remaining, 239.644531 MB of memory in use. ENERGY: 3329600 4045.6443 20495.3847 14453.8587 235.6430 -203051.7202 2479.2007 0.0000 0.0000 52222.8122 -109119.1766 300.1252 -161341.9888 -108756.9763 299.6818 19.9053 41.4511 762006.7822 -13.1841 -13.2561 PRESSURE: 3329800 -21.72 98.0466 20.2765 98.0454 260.25 -26.7347 20.2755 -26.7349 -154.919 GPRESSURE: 3329800 68.2864 68.0193 -63.6608 126.176 245.61 -77.4074 9.37037 -203.216 -136.807 PRESSAVG: 3329800 -19.2994 -8.09183 -66.3779 -8.09191 14.9987 -22.2917 -66.3779 -22.2917 6.57399 GPRESSAVG: 3329800 -18.9024 -8.80817 -65.1819 -7.81405 13.7122 -21.9555 -65.6704 -22.4394 7.43663 TIMING: 3329800 CPU: 10523, 0.0031551/step Wall: 10523, 0.0031551/step, 1.46379 hours remaining, 239.644531 MB of memory in use. ENERGY: 3329800 4000.2627 20409.4433 14412.9928 230.2947 -203136.4908 2618.3183 0.0000 0.0000 52082.1614 -109383.0177 299.3169 -161465.1790 -109019.9648 299.8161 27.8700 59.0299 762346.3264 0.7578 0.7488 PRESSURE: 3330000 156.815 34.8568 -58.0668 34.8569 252.589 -30.7571 -58.0672 -30.7576 -131.031 GPRESSURE: 3330000 67.8915 48.2363 -127.082 45.8223 274.417 -29.2111 -134.865 -50.3829 16.1725 PRESSAVG: 3330000 -22.3936 42.1054 -27.6729 42.1054 54.2762 -4.91995 -27.6729 -4.91988 -9.12865 GPRESSAVG: 3330000 -22.4405 42.7459 -26.0845 40.8507 54.9909 -7.54542 -29.5691 -5.47423 -9.78314 TIMING: 3330000 CPU: 10523.7, 0.0031669/step Wall: 10523.7, 0.0031669/step, 1.46909 hours remaining, 239.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3330000 3976.3516 20522.4088 14373.6064 246.1806 -203093.1410 2663.4200 0.0000 0.0000 52053.5067 -109257.6670 299.1522 -161311.1736 -108896.6697 299.6029 92.7910 119.4936 762468.6910 7.5847 7.5891 PRESSURE: 3330200 -49.5756 209.439 140.007 209.44 -309.764 44.7835 140.006 44.7828 -84.9021 GPRESSURE: 3330200 -41.7455 151.523 174.775 230.993 -281.572 76.7023 114.235 20.728 -59.8428 PRESSAVG: 3330200 26.7135 25.1032 28.7347 25.1032 -23.2266 5.88151 28.7348 5.88153 7.26964 GPRESSAVG: 3330200 27.4293 24.7284 27.6147 23.2063 -23.0826 6.7581 28.9038 5.53517 6.67898 TIMING: 3330200 CPU: 10524.3, 0.00314761/step Wall: 10524.3, 0.00314761/step, 1.45997 hours remaining, 239.644531 MB of memory in use. ENERGY: 3330200 3979.5858 20612.3693 14480.8740 253.3748 -203770.7839 2792.4416 0.0000 0.0000 52254.0565 -109398.0819 300.3048 -161652.1384 -109035.9838 299.7254 -148.0807 -127.7202 761558.4813 3.5855 3.6752 PRESSURE: 3330400 -380.314 -69.7588 16.4549 -69.7582 -473.107 12.6802 16.4553 12.6799 -273.548 GPRESSURE: 3330400 -379.541 -27.109 -22.567 -102.099 -320.369 113.339 100.806 -16.9949 -343.423 PRESSAVG: 3330400 -4.18162 14.5925 -52.6773 14.5925 40.7274 7.89327 -52.6773 7.89334 -3.89565 GPRESSAVG: 3330400 -4.40466 14.9034 -53.2065 15.0957 41.1804 8.71505 -51.9319 9.87455 -4.29314 TIMING: 3330400 CPU: 10524.9, 0.00314171/step Wall: 10524.9, 0.00314171/step, 1.45706 hours remaining, 239.644531 MB of memory in use. ENERGY: 3330400 4018.6255 20524.7137 14403.2093 238.1071 -202833.7455 2286.0180 0.0000 0.0000 52140.9411 -109222.1308 299.6547 -161363.0719 -108857.0195 299.5906 -375.6565 -347.7776 762943.2513 10.8834 10.8275 PRESSURE: 3330600 -268.044 76.5154 250.64 76.5154 -22.9796 256.472 250.64 256.471 7.62 GPRESSURE: 3330600 -195.575 -85.4497 187.72 150.91 -13.0279 234.984 103.853 207.712 21.1203 PRESSAVG: 3330600 62.2844 21.3435 -35.8665 21.3435 0.725483 69.1995 -35.8664 69.1996 3.2919 GPRESSAVG: 3330600 61.0744 20.2628 -34.9735 22.0062 0.49104 68.2444 -35.7667 68.5087 4.90763 TIMING: 3330600 CPU: 10525.5, 0.00314434/step Wall: 10525.5, 0.00314435/step, 1.4581 hours remaining, 239.644531 MB of memory in use. ENERGY: 3330600 4111.5078 20524.1492 14387.8428 229.5460 -203011.7926 2487.2482 0.0000 0.0000 52189.6991 -109081.7994 299.9349 -161271.4985 -108730.2171 300.1463 -94.4679 -62.4942 761814.0693 22.1006 22.1577 PRESSURE: 3330800 262.149 129.711 -255.603 129.71 63.4179 -59.2248 -255.602 -59.2246 172.43 GPRESSURE: 3330800 353.008 73.6088 -243.06 64.0482 81.1808 -66.7507 -175.774 -89.3168 154.946 PRESSAVG: 3330800 55.8394 5.59221 -30.0068 5.5922 -32.8358 34.8786 -30.0068 34.8787 14.281 GPRESSAVG: 3330800 57.1867 6.25522 -30.3157 5.3613 -33.7027 36.1821 -27.2619 34.9567 14.2219 TIMING: 3330800 CPU: 10526.2, 0.00315309/step Wall: 10526.2, 0.00315309/step, 1.46198 hours remaining, 239.644531 MB of memory in use. ENERGY: 3330800 4004.4474 20524.7204 14424.0561 243.6235 -203445.0444 2830.8874 0.0000 0.0000 52425.1872 -108992.1222 301.2883 -161417.3094 -108624.7042 300.5844 165.9989 196.3782 760819.8449 12.4282 12.5686 PRESSURE: 3331000 27.3786 -55.97 -81.4239 -55.9684 -197.127 63.3359 -81.4237 63.3358 -18.3685 GPRESSURE: 3331000 50.5858 36.3193 -16.5109 -50.1468 -98.9949 82.7777 -91.3544 50.2572 -50.6904 PRESSAVG: 3331000 38.3156 -22.0835 -15.3414 -22.0835 -7.26587 35.849 -15.3413 35.8491 12.0717 GPRESSAVG: 3331000 37.7217 -20.9358 -15.4582 -22.9819 -6.66083 34.3116 -17.9605 35.9527 11.9057 TIMING: 3331000 CPU: 10526.8, 0.00313804/step Wall: 10526.8, 0.00313804/step, 1.45483 hours remaining, 239.644531 MB of memory in use. ENERGY: 3331000 4095.2598 20587.1651 14428.6075 248.0161 -203426.6973 2766.9324 0.0000 0.0000 52317.2991 -108983.4173 300.6682 -161300.7164 -108624.9189 300.7297 -62.7057 -33.0332 760592.5323 14.3738 14.3222 PRESSURE: 3331200 290.825 -435.227 -90.0782 -435.227 290.477 -101.677 -90.079 -101.676 106.477 GPRESSURE: 3331200 236.83 -405.764 -43.6741 -301.83 370.779 -86.83 4.78545 -34.0467 161.805 PRESSAVG: 3331200 -1.05169 -35.4146 -53.117 -35.4146 17.1844 -5.18681 -53.117 -5.18672 -0.769226 GPRESSAVG: 3331200 -1.30186 -38.6854 -50.7948 -32.6712 16.5672 -4.31894 -54.9442 -4.81012 0.503569 TIMING: 3331200 CPU: 10527.4, 0.00316282/step Wall: 10527.4, 0.00316282/step, 1.46614 hours remaining, 239.644531 MB of memory in use. ENERGY: 3331200 4006.3783 20584.4845 14434.1074 227.6384 -202824.6451 2609.1612 0.0000 0.0000 52120.2758 -108842.5995 299.5359 -160962.8753 -108492.0292 300.8025 229.2596 256.4711 759772.4869 5.1211 5.2563 PRESSURE: 3331400 34.1101 -157.528 255.483 -157.529 49.812 -101.968 255.484 -101.969 -104.203 GPRESSURE: 3331400 20.9914 -245.297 257.106 -147.605 109.18 -75.9605 236.008 -79.0361 -67.728 PRESSAVG: 3331400 20.3077 -11.8077 15.8966 -11.8077 -15.2833 42.0136 15.8966 42.0136 -5.97435 GPRESSAVG: 3331400 20.4982 -10.698 14.2606 -11.1395 -14.2009 42.4495 19.8055 40.6858 -7.1973 TIMING: 3331400 CPU: 10528.1, 0.00315876/step Wall: 10528.1, 0.00315876/step, 1.46409 hours remaining, 239.644531 MB of memory in use. ENERGY: 3331400 4066.3970 20724.5324 14357.1295 233.4764 -203231.1067 2469.3086 0.0000 0.0000 52187.7708 -109192.4921 299.9238 -161380.2629 -108856.9480 300.1867 -6.7602 20.8145 760357.1116 -0.3167 -0.3000 PRESSURE: 3331600 -126.883 68.8273 176.575 68.8279 -57.653 27.5146 176.575 27.5144 -300.546 GPRESSURE: 3331600 -76.9717 43.4109 150.277 106.936 19.8378 62.1749 19.3198 -36.4328 -330.62 PRESSAVG: 3331600 48.8981 -15.4691 56.4892 -15.469 -25.2562 -9.82457 56.4892 -9.82452 -1.60329 GPRESSAVG: 3331600 50.0741 -13.364 57.6153 -16.8896 -25.8763 -11.034 53.7637 -8.13874 -1.8721 TIMING: 3331600 CPU: 10528.7, 0.0031615/step Wall: 10528.7, 0.0031615/step, 1.46518 hours remaining, 239.644531 MB of memory in use. ENERGY: 3331600 4047.4760 20484.4590 14351.4847 238.0968 -203267.1898 2444.3750 0.0000 0.0000 52373.6082 -109327.6900 300.9918 -161701.2983 -108960.1103 300.0235 -161.6940 -129.2512 761080.2445 7.3462 7.4419 PRESSURE: 3331800 38.3516 -99.1839 25.8732 -99.1848 244.703 83.3498 25.8728 83.3508 -125.406 GPRESSURE: 3331800 74.9419 -34.3293 135.8 -72.7714 285.696 89.5983 118.573 105.537 -116.592 PRESSAVG: 3331800 6.49763 -21.2978 -10.9263 -21.2979 -12.5274 3.67691 -10.9263 3.67698 -20.6056 GPRESSAVG: 3331800 5.24165 -22.6874 -12.1226 -19.8074 -12.099 3.77364 -8.56219 4.75136 -19.7444 TIMING: 3331800 CPU: 10529.3, 0.0031549/step Wall: 10529.3, 0.0031549/step, 1.46195 hours remaining, 239.644531 MB of memory in use. ENERGY: 3331800 3917.6483 20628.0619 14456.7127 249.1015 -203067.4424 2436.9262 0.0000 0.0000 52132.8963 -109246.0956 299.6085 -161378.9918 -108881.6536 299.8723 52.5495 81.3486 760897.1381 -8.8785 -8.8673 PRESSURE: 3332000 -101.347 42.6977 43.7537 42.6983 -141.076 -35.8377 43.7542 -35.8368 -194.033 GPRESSURE: 3332000 20.3405 -37.0452 133.386 19.6097 -179.931 -161.457 9.99332 11.6699 -166.935 PRESSAVG: 3332000 44.8854 -34.4047 20.3269 -34.4047 -33.3905 -7.71456 20.3269 -7.71447 -6.97824 GPRESSAVG: 3332000 45.8058 -33.1376 21.864 -36.2202 -34.9215 -7.65567 19.1698 -10.3065 -6.46625 TIMING: 3332000 CPU: 10530, 0.00317368/step Wall: 10530, 0.00317368/step, 1.47047 hours remaining, 239.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3332000 4054.4904 20708.7627 14466.2075 259.0940 -203046.0732 2146.9756 0.0000 0.0000 51965.3075 -109445.2353 298.6453 -161410.5429 -109077.4752 299.5591 -145.4855 -108.8418 760986.5753 1.5055 1.4727 PRESSURE: 3332200 136.05 -59.8148 41.5497 -59.8147 -37.5361 -39.8651 41.5506 -39.8665 257.214 GPRESSURE: 3332200 295.244 11.1946 93.6714 -80.0507 -136.967 67.8912 90.3713 -54.0751 249.459 PRESSAVG: 3332200 34.2013 -36.7115 25.7212 -36.7115 -36.2192 0.0190118 25.7212 0.0189946 -3.47441 GPRESSAVG: 3332200 34.0561 -37.3301 24.0531 -37.1836 -36.1918 1.15957 27.0597 3.03738 -3.8162 TIMING: 3332200 CPU: 10530.6, 0.00315765/step Wall: 10530.6, 0.00315765/step, 1.46287 hours remaining, 239.644531 MB of memory in use. ENERGY: 3332200 3985.1114 20626.4667 14405.6932 240.6248 -203615.3586 2581.6968 0.0000 0.0000 52416.6895 -109359.0761 301.2394 -161775.7656 -108988.5320 299.6667 118.5759 135.9120 760636.2856 -1.8308 -1.9840 LDB: ============= START OF LOAD BALANCING ============== 10543 LDB: ============== END OF LOAD BALANCING =============== 10543 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10543 LDB: ============= START OF LOAD BALANCING ============== 10543.3 LDB: Largest compute 7068 load 0.032077 is 16.4% of average load 0.196057 LDB: Average compute 0.004389 is 2.2% of average load 0.196057 LDB: TIME 10543.3 LOAD: AVG 0.196057 MAX 0.216686 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 10543.3 LOAD: AVG 0.196057 MAX 0.216686 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.422 MB LDB: TIME 10543.3 LOAD: AVG 0.196057 MAX 0.216686 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10543.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10543.3 PRESSURE: 3332400 115.82 -69.3839 -59.9315 -69.3853 139.342 110.76 -59.931 110.761 35.0161 GPRESSURE: 3332400 197.038 -201.517 -12.3075 42.8303 167.124 7.03785 15.5156 130.481 -5.27138 PRESSAVG: 3332400 -42.5704 -1.95979 -7.15903 -1.95979 52.7334 4.63339 -7.15898 4.63338 2.67474 GPRESSAVG: 3332400 -43.7247 -1.87156 -7.42719 -0.941842 53.326 3.02024 -8.13189 3.39067 2.96109 TIMING: 3332400 CPU: 10531.2, 0.00323526/step Wall: 10531.2, 0.00323526/step, 1.49864 hours remaining, 238.796875 MB of memory in use. ENERGY: 3332400 4079.8863 20598.5378 14462.8171 239.9009 -203514.8430 2545.6747 0.0000 0.0000 52304.4946 -109283.5316 300.5946 -161588.0262 -108929.0485 299.8885 96.7258 119.6302 762542.0081 4.2792 4.1875 PRESSURE: 3332600 -176.196 108.367 -56.8283 108.367 -78.7423 -21.1231 -56.8277 -21.1223 44.7076 GPRESSURE: 3332600 -187.695 157 -38.3083 76.5169 11.2271 -52.6719 -110.813 75.7072 48.8553 PRESSAVG: 3332600 -25.3825 21.5403 -54.5907 21.5402 -2.14818 28.3896 -54.5907 28.3896 -39.2234 GPRESSAVG: 3332600 -24.3897 22.1202 -53.7216 22.4375 -2.56122 30.3329 -55.3899 28.4883 -39.9601 TIMING: 3332600 CPU: 10531.9, 0.00315302/step Wall: 10531.9, 0.00315302/step, 1.46038 hours remaining, 238.796875 MB of memory in use. ENERGY: 3332600 3966.3310 20425.1684 14439.8565 251.6696 -202610.2308 2184.7298 0.0000 0.0000 51833.5964 -109508.8790 297.8884 -161342.4754 -109142.0858 299.4824 -70.0769 -42.5376 761517.0287 -22.2514 -22.3037 PRESSURE: 3332800 75.2984 -105.755 13.8654 -105.755 -62.167 -172.193 13.8653 -172.194 -28.161 GPRESSURE: 3332800 66.604 -13.9534 -28.0733 -169.679 -3.59472 -124.277 66.8463 -92.913 20.4089 PRESSAVG: 3332800 35.6711 -25.6537 -54.522 -25.6536 -59.8229 -6.56831 -54.522 -6.56823 5.82568 GPRESSAVG: 3332800 34.3255 -24.6973 -54.9602 -24.7044 -58.9336 -7.81326 -54.0812 -5.94549 6.02304 TIMING: 3332800 CPU: 10532.5, 0.00316655/step Wall: 10532.5, 0.00316655/step, 1.46646 hours remaining, 238.796875 MB of memory in use. ENERGY: 3332800 4062.1371 20499.7728 14414.2548 238.4315 -202937.2890 2379.4793 0.0000 0.0000 51869.1866 -109474.0268 298.0929 -161343.2134 -109112.8906 298.6838 -5.0099 27.8061 760928.8850 -6.1087 -6.1950 PRESSURE: 3333000 -128.613 6.06533 -73.4895 6.06534 -33.2987 -9.495 -73.4904 -9.4952 -175.239 GPRESSURE: 3333000 -37.6991 65.0184 -136.461 -116.866 -66.4293 6.74059 -18.0128 -146.408 -152.205 PRESSAVG: 3333000 -19.6289 -22.1753 5.75348 -22.1754 13.0585 55.0129 5.75346 55.0129 -3.03165 GPRESSAVG: 3333000 -20.1594 -24.2352 6.26602 -25.3394 13.527 54.7808 7.70514 51.7202 -2.52395 TIMING: 3333000 CPU: 10533.1, 0.00315643/step Wall: 10533.1, 0.00315643/step, 1.4616 hours remaining, 238.796875 MB of memory in use. ENERGY: 3333000 4015.4969 20502.9084 14425.6155 231.2683 -203258.6494 2531.1002 0.0000 0.0000 52067.5056 -109484.7544 299.2327 -161552.2600 -109121.5287 298.5450 -112.3836 -85.4445 760311.0525 -3.2007 -3.0521 PRESSURE: 3333200 26.7935 -63.5168 -43.6243 -63.5163 -20.4152 299.099 -43.6249 299.099 -68.4633 GPRESSURE: 3333200 73.81 -106.521 -115.351 -121.194 27.0887 236.822 -139.342 362.749 -87.8491 PRESSAVG: 3333200 -24.7008 -31.2441 25.3119 -31.244 63.7286 3.67664 25.3119 3.67673 18.7484 GPRESSAVG: 3333200 -22.5125 -31.0164 24.0349 -30.4812 62.3918 4.42789 25.1502 7.36196 18.554 TIMING: 3333200 CPU: 10533.8, 0.00315244/step Wall: 10533.8, 0.00315244/step, 1.45958 hours remaining, 238.796875 MB of memory in use. ENERGY: 3333200 3927.6805 20502.4561 14416.8693 254.9219 -203198.5515 2785.5048 0.0000 0.0000 52094.9485 -109216.1703 299.3904 -161311.1188 -108853.7734 299.7149 -20.6950 4.3499 760901.4759 19.2587 19.4778 PRESSURE: 3333400 208.315 -244.426 93.3963 -244.425 110.935 63.2634 93.3961 63.2634 -385.251 GPRESSURE: 3333400 250.749 -207.931 74.4897 -160.172 155.416 29.1502 95.4599 -86.1126 -357.913 PRESSAVG: 3333400 -0.0883824 -64.7345 -25.5567 -64.7346 -17.0384 -18.1514 -25.5568 -18.1514 11.2499 GPRESSAVG: 3333400 -0.274726 -63.8989 -23.9391 -64.5467 -16.2025 -19.014 -28.4285 -17.938 10.9973 TIMING: 3333400 CPU: 10534.4, 0.00315435/step Wall: 10534.4, 0.00315435/step, 1.46029 hours remaining, 238.796875 MB of memory in use. ENERGY: 3333400 3973.2781 20536.6730 14425.0064 229.3923 -203392.9320 2659.0365 0.0000 0.0000 52170.7751 -109398.7706 299.8262 -161569.5457 -109038.3946 299.7389 -22.0004 16.0838 761579.8814 -1.9590 -1.8267 PRESSURE: 3333600 -120.417 -184.302 191.656 -184.302 -437.063 37.4956 191.655 37.4946 155.047 GPRESSURE: 3333600 -112.996 -142.739 127.002 -195.896 -366.692 120.251 255.153 86.0152 140.957 PRESSAVG: 3333600 -4.32173 -70.1432 -29.9794 -70.1433 -10.7543 -36.5779 -29.9794 -36.5779 -11.0281 GPRESSAVG: 3333600 -5.29487 -70.186 -31.1621 -68.9475 -9.44996 -37.1099 -26.5687 -37.7249 -11.6998 TIMING: 3333600 CPU: 10535, 0.0031645/step Wall: 10535, 0.0031645/step, 1.46481 hours remaining, 238.796875 MB of memory in use. ENERGY: 3333600 3946.8822 20507.3932 14476.5501 245.2564 -202637.2425 2002.0816 0.0000 0.0000 52224.9505 -109234.1285 300.1375 -161459.0790 -108869.9135 299.3248 -134.1442 -112.9106 759746.8048 -8.7014 -8.8149 PRESSURE: 3333800 173.463 144.031 -68.2259 144.031 -208.986 201.517 -68.2251 201.517 200.5 GPRESSURE: 3333800 190.876 49.4792 18.9481 152.202 -115.153 212.998 -164.79 125.934 189.53 PRESSAVG: 3333800 4.68221 -11.165 51.4865 -11.1651 -17.954 -26.3453 51.4865 -26.3454 16.5922 GPRESSAVG: 3333800 4.78718 -9.93845 53.0569 -12.3286 -18.4479 -25.7181 49.9779 -24.5417 17.4144 TIMING: 3333800 CPU: 10535.7, 0.00314627/step Wall: 10535.7, 0.00314627/step, 1.4562 hours remaining, 238.796875 MB of memory in use. ENERGY: 3333800 4027.3135 20618.6141 14362.9336 244.0637 -203307.7395 2723.8463 0.0000 0.0000 52325.6971 -109005.2711 300.7165 -161330.9682 -108649.3771 300.2687 54.9925 88.4178 760822.8745 1.1068 1.2512 PRESSURE: 3334000 421.76 132.863 28.8992 132.863 -93.1436 202.968 28.899 202.968 -330.157 GPRESSURE: 3334000 440.16 30.3287 -33.6834 -6.67053 -36.2273 223.347 141.208 130.498 -342.045 PRESSAVG: 3334000 3.54385 -19.7837 -1.94397 -19.7837 -56.4407 13.0405 -1.94401 13.0406 -4.40309 GPRESSAVG: 3334000 4.08453 -21.9247 -2.81664 -19.5869 -56.9038 15.5576 -0.779782 9.7696 -4.72489 TIMING: 3334000 CPU: 10536.3, 0.00315592/step Wall: 10536.3, 0.00315592/step, 1.46049 hours remaining, 238.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3334000 4041.8769 20355.9674 14443.5602 241.1927 -202797.2210 2505.0344 0.0000 0.0000 52082.3773 -109127.2122 299.3181 -161209.5895 -108764.2909 300.1888 -0.5137 20.6292 761812.1133 -19.1000 -19.1814 PRESSURE: 3334200 52.4221 -99.9026 110.397 -99.902 -381.441 67.7645 110.396 67.7642 -18.0541 GPRESSURE: 3334200 172.388 -134.403 185.885 -57.8472 -365.56 -3.95167 103.309 110.312 -60.2255 PRESSAVG: 3334200 31.488 2.4606 -14.3078 2.46059 -93.3171 2.93403 -14.3078 2.93398 4.1959 GPRESSAVG: 3334200 32.1097 3.38238 -15.0337 3.71937 -93.4756 1.53646 -16.0389 4.80881 4.15289 TIMING: 3334200 CPU: 10536.9, 0.00314896/step Wall: 10536.9, 0.00314896/step, 1.4571 hours remaining, 238.796875 MB of memory in use. ENERGY: 3334200 4007.4906 20532.1035 14429.9227 252.9346 -202856.2087 2303.7689 0.0000 0.0000 52174.9703 -109155.0180 299.8503 -161329.9883 -108791.1574 299.8338 -115.6911 -84.4659 761132.3795 -19.2111 -19.0710 PRESSURE: 3334400 141.221 -53.7744 -260.99 -53.7734 -123.993 49.4946 -260.99 49.4947 260.337 GPRESSURE: 3334400 217.407 -26.2812 -238.539 -40.5626 -141.846 116.788 -241.087 79.2752 284.394 PRESSAVG: 3334400 7.38528 -67.3338 21.4575 -67.3338 -17.7738 -54.5857 21.4576 -54.5857 -0.98614 GPRESSAVG: 3334400 9.01311 -67.0848 21.8335 -68.8571 -18.8998 -53.248 23.1754 -53.6366 -0.768464 TIMING: 3334400 CPU: 10537.6, 0.00313386/step Wall: 10537.6, 0.00313386/step, 1.44993 hours remaining, 238.796875 MB of memory in use. ENERGY: 3334400 3929.7795 20554.0432 14440.6302 256.0300 -202878.6873 2484.4879 0.0000 0.0000 51907.5345 -109306.1820 298.3133 -161213.7166 -108952.0510 299.9378 92.5218 119.9847 760051.7330 -3.7916 -3.5517 PRESSURE: 3334600 180.158 -42.7684 50.0428 -42.7697 108.443 -197.668 50.0431 -197.668 -106.527 GPRESSURE: 3334600 187.717 -69.1679 24.4618 28.8207 183.504 -255.814 40.6105 -12.0283 -123.502 PRESSAVG: 3334600 8.05548 -37.6541 -34.2575 -37.6541 -45.0571 -40.2058 -34.2574 -40.2059 3.73189 GPRESSAVG: 3334600 7.22595 -38.282 -35.5675 -36.6178 -43.3287 -41.044 -34.806 -39.5513 3.08521 TIMING: 3334600 CPU: 10538.2, 0.00315109/step Wall: 10538.2, 0.00315109/step, 1.45773 hours remaining, 238.796875 MB of memory in use. ENERGY: 3334600 3926.5300 20683.9430 14416.7777 255.8157 -203135.8785 2606.9852 0.0000 0.0000 52044.8533 -109200.9735 299.1025 -161245.8268 -108846.0319 300.3118 60.6914 82.5728 759925.2381 -11.0899 -11.0058 PRESSURE: 3334800 25.8738 25.9296 -3.48553 25.929 -492.999 274.265 -3.48547 274.266 271.642 GPRESSURE: 3334800 63.7833 -120.838 -75.4703 -59.6162 -457.152 300.96 58.6471 40.0905 290.276 PRESSAVG: 3334800 64.4046 -72.9149 -13.4536 -72.9148 -50.8347 8.54871 -13.4535 8.54872 -29.8038 GPRESSAVG: 3334800 64.2655 -72.6771 -11.6032 -71.5266 -51.2758 9.91582 -16.5541 8.16298 -29.0773 TIMING: 3334800 CPU: 10538.8, 0.00314511/step Wall: 10538.8, 0.00314511/step, 1.45479 hours remaining, 238.796875 MB of memory in use. ENERGY: 3334800 4005.7307 20478.3947 14464.1931 255.5912 -202867.7059 2260.1650 0.0000 0.0000 51972.9486 -109430.6825 298.6893 -161403.6312 -109068.1695 299.9936 -65.1613 -34.3641 761009.3502 -5.4113 -5.3625 PRESSURE: 3335000 65.1332 -155.339 75.5007 -155.338 19.8409 63.7736 75.5003 63.7746 198.326 GPRESSURE: 3335000 111.87 -146.878 -21.2502 -41.2723 134.605 139.023 45.1719 29.8111 134.139 PRESSAVG: 3335000 31.8274 -43.2532 14.2658 -43.2532 -44.3016 28.1589 14.2659 28.1589 3.93064 GPRESSAVG: 3335000 31.9986 -42.0861 12.5328 -44.2486 -43.0599 27.4696 15.5723 25.6469 2.68023 TIMING: 3335000 CPU: 10539.4, 0.0031314/step Wall: 10539.4, 0.0031314/step, 1.44827 hours remaining, 238.796875 MB of memory in use. ENERGY: 3335000 3976.7584 20354.4250 14477.0630 256.6553 -203363.8080 2749.6434 0.0000 0.0000 52134.9024 -109414.3605 299.6200 -161549.2628 -109055.3673 299.1241 94.4333 126.8713 761563.7349 -2.8478 -2.7937 PRESSURE: 3335200 -210.795 -14.6107 40.9043 -14.6119 247.355 164.686 40.9043 164.687 77.8493 GPRESSURE: 3335200 -15.4398 35.8493 104.066 -61.4838 187.633 138.637 65.8995 171.22 29.3809 PRESSAVG: 3335200 7.06506 -14.1426 15.4974 -14.1426 -27.1715 -8.34542 15.4974 -8.3455 -20.4961 GPRESSAVG: 3335200 8.47253 -13.7766 16.968 -14.177 -28.8555 -9.19669 17.1549 -6.6417 -20.2053 TIMING: 3335200 CPU: 10540.1, 0.00312369/step Wall: 10540.1, 0.00312369/step, 1.44453 hours remaining, 238.796875 MB of memory in use. ENERGY: 3335200 4058.2802 20642.3900 14387.6985 255.5757 -203121.8356 2448.8581 0.0000 0.0000 51974.4142 -109354.6190 298.6977 -161329.0331 -108994.8642 299.1120 38.1365 67.1913 761377.5229 -13.5342 -13.5294 PRESSURE: 3335400 162.864 -7.49102 234.312 -7.49087 26.7869 -46.5624 234.313 -46.5612 83.6326 GPRESSURE: 3335400 109.584 128.081 205.121 -113.974 162.308 -125.294 297.82 -13.8118 66.0569 PRESSAVG: 3335400 62.1582 18.8098 -10.5717 18.8098 -35.4187 8.47593 -10.5717 8.47592 1.34544 GPRESSAVG: 3335400 61.2666 20.0802 -10.187 16.5477 -35.2051 9.44828 -10.821 7.65302 1.68732 TIMING: 3335400 CPU: 10540.7, 0.00314887/step Wall: 10540.7, 0.00314887/step, 1.456 hours remaining, 238.796875 MB of memory in use. ENERGY: 3335400 4038.1062 20612.5403 14439.7936 248.7815 -203231.9890 2426.5669 0.0000 0.0000 52014.5224 -109451.6781 298.9282 -161466.2005 -109094.7426 299.7213 91.0946 112.6496 760401.9415 9.3617 9.2496 PRESSURE: 3335600 -12.2531 121.203 -100.204 121.204 -220.829 13.3904 -100.204 13.3903 -123.628 GPRESSURE: 3335600 -81.8552 -25.5218 -52.5285 57.7018 -97.9932 4.1278 -92.928 51.4781 -75.1863 PRESSAVG: 3335600 -17.5579 26.2732 51.3176 26.2733 43.8232 -21.5565 51.3176 -21.5566 4.37944 GPRESSAVG: 3335600 -17.217 23.6637 50.4142 26.9 43.7015 -21.6385 51.1279 -22.7559 4.17111 TIMING: 3335600 CPU: 10541.3, 0.00315489/step Wall: 10541.3, 0.00315489/step, 1.45861 hours remaining, 238.796875 MB of memory in use. ENERGY: 3335600 3997.3787 20445.2136 14370.6655 269.9717 -203548.6141 2597.0704 0.0000 0.0000 52215.6307 -109652.6836 300.0839 -161868.3142 -109296.2832 299.4128 -118.9033 -85.0116 760004.8724 10.2149 10.2185 PRESSURE: 3335800 420.805 -189.002 68.0462 -189.002 242.038 -83.4442 68.0464 -83.4433 151.003 GPRESSURE: 3335800 410.305 -181.48 0.327428 -140.161 301.92 -184.285 47.2314 -33.0655 202.298 PRESSAVG: 3335800 1.84552 22.7236 -7.02067 22.7235 -7.56755 17.3476 -7.0207 17.3476 -8.42614 GPRESSAVG: 3335800 1.31854 24.2473 -5.84927 24.3525 -7.81055 16.3932 -7.57591 18.0518 -7.92881 TIMING: 3335800 CPU: 10542, 0.00315071/step Wall: 10542, 0.00315071/step, 1.4565 hours remaining, 238.796875 MB of memory in use. ENERGY: 3335800 3904.3711 20325.4808 14399.4857 249.0354 -203211.8264 2458.7797 0.0000 0.0000 52251.5089 -109623.1647 300.2901 -161874.6737 -109256.5783 299.3995 271.2820 304.8411 759386.6539 -4.7161 -4.8069 PRESSURE: 3336000 -285.419 190.794 -107.662 190.795 -229.629 122.886 -107.663 122.885 81.1959 GPRESSURE: 3336000 -259.282 211.494 -128.356 164.448 -209.95 180.372 -177.959 62.6281 114.538 PRESSAVG: 3336000 23.4576 -79.5022 -37.946 -79.5022 -12.1983 30.9096 -37.9461 30.9096 5.78869 GPRESSAVG: 3336000 23.595 -80.2685 -37.4692 -79.6647 -12.2804 30.3293 -37.6357 31.6437 5.85455 TIMING: 3336000 CPU: 10542.6, 0.00315875/step Wall: 10542.6, 0.00315875/step, 1.46004 hours remaining, 238.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3336000 3929.0579 20507.0267 14484.3649 265.9813 -203071.7894 2365.4215 0.0000 0.0000 52112.9341 -109407.0031 299.4937 -161519.9372 -109058.1288 299.1646 -144.6176 -118.2313 761206.6407 5.6827 5.7230 PRESSURE: 3336200 -352.073 101.903 -18.63 101.903 -385.504 -123.178 -18.6302 -123.178 -477.323 GPRESSURE: 3336200 -350.383 55.8257 55.4535 95.8053 -353.702 -68.7799 41.0062 93.0356 -430.384 PRESSAVG: 3336200 18.9435 28.6166 -25.3225 28.6167 11.7515 3.54965 -25.3225 3.54967 -7.89684 GPRESSAVG: 3336200 17.7405 28.0276 -27.955 28.1051 11.6324 6.74548 -24.492 0.71685 -6.85144 TIMING: 3336200 CPU: 10543.2, 0.0031784/step Wall: 10543.2, 0.0031784/step, 1.46895 hours remaining, 238.796875 MB of memory in use. ENERGY: 3336200 3998.4574 20650.3184 14487.1865 257.3397 -203201.4507 2237.7804 0.0000 0.0000 52299.4724 -109270.8959 300.5658 -161570.3683 -108914.9919 299.8940 -404.9667 -378.1562 763342.0391 7.5994 7.5072 LDB: ============= START OF LOAD BALANCING ============== 10555.6 LDB: ============== END OF LOAD BALANCING =============== 10555.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10555.6 LDB: ============= START OF LOAD BALANCING ============== 10555.9 LDB: Largest compute 7068 load 0.031609 is 16.1% of average load 0.196043 LDB: Average compute 0.004382 is 2.2% of average load 0.196043 LDB: TIME 10555.9 LOAD: AVG 0.196043 MAX 0.214252 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.543 MB LDB: TIME 10555.9 LOAD: AVG 0.196043 MAX 0.214252 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 10555.9 LOAD: AVG 0.196043 MAX 0.214252 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 10555.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10556 PRESSURE: 3336400 83.6101 74.747 -31.1258 74.747 -98.1334 -72.6494 -31.1249 -72.6504 98.9765 GPRESSURE: 3336400 128.389 107.713 -152.09 112.682 -19.9017 -85.4567 31.0135 -151.286 61.1175 PRESSAVG: 3336400 33.1219 -10.4935 -2.64732 -10.4935 -46.7816 44.8474 -2.64729 44.8475 1.9472 GPRESSAVG: 3336400 33.6235 -9.03462 -2.11098 -10.4538 -46.9108 40.5061 -3.27645 46.8024 1.43301 TIMING: 3336400 CPU: 10543.9, 0.00323653/step Wall: 10543.9, 0.00323653/step, 1.49564 hours remaining, 238.855469 MB of memory in use. ENERGY: 3336400 3983.9385 20469.0658 14429.3200 266.2450 -202998.6609 2504.3211 0.0000 0.0000 52313.9459 -109031.8247 300.6490 -161345.7705 -108664.1672 299.9483 28.1511 56.5350 761596.3221 -3.9041 -3.9514 PRESSURE: 3336600 -33.393 19.6396 -131.312 19.6407 -296.204 220.931 -131.312 220.932 10.3599 GPRESSURE: 3336600 36.6439 32.4736 -10.7518 81.1073 -242.18 263.268 -232.68 280.432 -41.9481 PRESSAVG: 3336600 10.4006 13.8709 16.6786 13.8709 -4.36893 -6.53938 16.6785 -6.53934 2.34836 GPRESSAVG: 3336600 11.0012 12.961 18.0461 13.1393 -4.52729 -3.67766 16.2527 -8.77816 1.8625 TIMING: 3336600 CPU: 10544.5, 0.00316458/step Wall: 10544.5, 0.00316458/step, 1.46221 hours remaining, 238.855469 MB of memory in use. ENERGY: 3336600 3978.7079 20653.0141 14433.2503 245.8920 -202923.5984 2480.4315 0.0000 0.0000 52262.1591 -108870.1435 300.3513 -161132.3026 -108504.7346 300.1461 -106.4125 -82.4946 762103.5395 2.7934 2.7788 PRESSURE: 3336800 -222.188 -17.4277 -74.3505 -17.4272 -207.696 -220.031 -74.3505 -220.032 84.6832 GPRESSURE: 3336800 -221.586 -104.322 45.3109 4.07582 -148.465 -222.082 -12.2504 -170.057 99.0122 PRESSAVG: 3336800 77.2638 -23.9107 46.6717 -23.9107 -18.3465 22.2389 46.6717 22.2389 9.71174 GPRESSAVG: 3336800 76.6892 -21.9846 46.1353 -23.6609 -19.0441 22.1348 47.0553 23.4895 10.7947 TIMING: 3336800 CPU: 10545.1, 0.00316355/step Wall: 10545.1, 0.00316355/step, 1.46156 hours remaining, 238.855469 MB of memory in use. ENERGY: 3336800 4094.4824 20527.7671 14428.8902 257.1351 -202811.8759 2452.5583 0.0000 0.0000 52128.4588 -108922.5839 299.5830 -161051.0427 -108566.6602 300.9156 -115.0669 -90.3463 762490.5900 22.8764 22.8133 PRESSURE: 3337000 -213.821 -360.237 93.6852 -360.237 47.3794 156.391 93.6853 156.391 203.912 GPRESSURE: 3337000 -228.716 -266.304 -7.46311 -375.028 89.4948 224.135 161.608 95.1657 264.352 PRESSAVG: 3337000 42.4997 -24.566 46.8554 -24.5659 -49.7381 26.2129 46.8554 26.2129 6.72718 GPRESSAVG: 3337000 43.5001 -25.6148 46.7823 -23.2488 -49.3044 25.8024 46.9351 25.7533 5.68142 TIMING: 3337000 CPU: 10545.8, 0.00315793/step Wall: 10545.8, 0.00315793/step, 1.45879 hours remaining, 238.855469 MB of memory in use. ENERGY: 3337000 3899.7620 20535.4870 14426.1145 218.6878 -203247.4030 2710.8588 0.0000 0.0000 52326.1343 -109130.3585 300.7190 -161456.4928 -108760.9903 300.2571 12.4903 41.7102 761881.6886 -0.1704 -0.0409 PRESSURE: 3337200 166.897 32.5666 -33.1974 32.5667 -438.372 -210.429 -33.1982 -210.429 -24.1728 GPRESSURE: 3337200 236.601 7.91792 -65.1162 47.7899 -386.009 -175.1 -54.6152 -13.56 -54.9973 PRESSAVG: 3337200 33.2621 -45.5658 24.8811 -45.5657 -45.2392 16.8042 24.8811 16.8042 -24.4137 GPRESSAVG: 3337200 32.9031 -46.4488 25.5375 -45.5311 -44.5985 17.175 26.1181 18.6084 -24.7673 TIMING: 3337200 CPU: 10546.4, 0.00316612/step Wall: 10546.4, 0.00316612/step, 1.4624 hours remaining, 238.855469 MB of memory in use. ENERGY: 3337200 3936.2712 20488.5167 14421.9190 234.5498 -202851.3351 2619.2562 0.0000 0.0000 51856.3333 -109294.4889 298.0191 -161150.8222 -108936.8972 299.8308 -98.5493 -68.1350 763134.1564 -12.1303 -12.1542 PRESSURE: 3337400 36.3953 -145.626 59.0334 -145.626 83.6988 -35.8744 59.034 -35.8746 194.683 GPRESSURE: 3337400 145.05 -178.441 30.4207 -135.226 19.3979 -73.5769 3.87702 28.6118 253.889 PRESSAVG: 3337400 30.9069 -10.5192 31.1043 -10.5191 -36.6926 9.98278 31.1043 9.98274 -4.93648 GPRESSAVG: 3337400 31.507 -8.3666 32.6336 -10.6603 -37.4008 9.0178 28.5183 10.4632 -4.65743 TIMING: 3337400 CPU: 10547, 0.00314678/step Wall: 10547, 0.00314678/step, 1.45329 hours remaining, 238.855469 MB of memory in use. ENERGY: 3337400 3976.5945 20373.5959 14397.4472 241.8411 -202872.0803 2639.5962 0.0000 0.0000 51902.0910 -109340.9145 298.2820 -161243.0055 -108977.0584 299.1521 104.9255 139.4456 763604.3287 -3.5741 -3.5171 PRESSURE: 3337600 -96.0458 -145.619 26.786 -145.618 -28.1785 39.5591 26.7866 39.5592 217.826 GPRESSURE: 3337600 -0.329648 -134.077 45.9016 -191.979 -6.53592 3.3939 162.018 -103.921 196.516 PRESSAVG: 3337600 56.5566 8.38134 25.7406 8.38139 -55.48 -6.17863 25.7405 -6.1786 -20.7248 GPRESSAVG: 3337600 55.1911 5.17754 23.9982 6.95779 -54.7104 -6.99368 28.2112 -8.41618 -20.2192 TIMING: 3337600 CPU: 10547.7, 0.00313858/step Wall: 10547.7, 0.00313858/step, 1.44933 hours remaining, 238.855469 MB of memory in use. ENERGY: 3337600 4039.2512 20434.7896 14449.5843 260.8407 -203017.7405 2508.9216 0.0000 0.0000 52130.3862 -109193.9668 299.5940 -161324.3530 -108824.9902 299.4136 31.2005 63.2168 762589.9674 -6.5494 -6.5795 PRESSURE: 3337800 30.1933 -112.98 69.2563 -112.981 -236.261 138.699 69.2558 138.699 43.0984 GPRESSURE: 3337800 61.9945 -174.891 48.909 -10.527 -187.337 82.8243 177.033 279.45 40.1156 PRESSAVG: 3337800 45.6585 -20.2096 -1.55765 -20.2096 -35.2761 61.7169 -1.55763 61.7168 8.77362 GPRESSAVG: 3337800 46.1106 -17.1309 -3.16988 -19.7229 -35.8298 62.2082 -0.0698135 62.0064 8.313 TIMING: 3337800 CPU: 10548.3, 0.00315564/step Wall: 10548.3, 0.00315564/step, 1.45703 hours remaining, 238.855469 MB of memory in use. ENERGY: 3337800 3981.4968 20546.3728 14371.6013 247.2819 -203088.6708 2430.8223 0.0000 0.0000 52287.2277 -109223.8680 300.4954 -161511.0957 -108863.8251 299.7098 -54.3232 -28.4091 762861.0351 6.3853 6.1979 PRESSURE: 3338000 140.797 -22.3925 109.128 -22.3932 -359.458 174.033 109.128 174.033 334.447 GPRESSURE: 3338000 152.978 -9.00915 105.433 -0.895019 -195.856 159.39 42.3062 129.087 247.588 PRESSAVG: 3338000 56.2753 -22.6934 35.3199 -22.6934 4.65821 36.1919 35.3199 36.1918 4.46871 GPRESSAVG: 3338000 55.289 -23.9332 36.927 -22.6964 6.05552 36.3297 33.757 35.7108 3.83512 TIMING: 3338000 CPU: 10548.9, 0.00317965/step Wall: 10548.9, 0.00317965/step, 1.46794 hours remaining, 238.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3338000 3919.7301 20508.9672 14434.9277 244.9680 -202972.7994 2545.9169 0.0000 0.0000 52071.6350 -109246.6546 299.2564 -161318.2896 -108877.5754 299.6200 38.5957 68.2364 763875.7708 21.8007 21.7265 PRESSURE: 3338200 0.704884 -72.37 107.628 -72.3695 117.488 -54.6505 107.627 -54.6506 -121.807 GPRESSURE: 3338200 100.154 -122.231 38.7147 44.7074 78.1364 -158.231 61.1416 83.7019 -93.83 PRESSAVG: 3338200 25.4682 1.25287 28.6917 1.25289 -15.5811 18.7794 28.6917 18.7794 12.2646 GPRESSAVG: 3338200 25.8562 0.447069 28.4581 1.8412 -15.6995 19.2656 27.4003 21.0129 12.0063 TIMING: 3338200 CPU: 10549.6, 0.0031712/step Wall: 10549.6, 0.0031712/step, 1.46386 hours remaining, 238.855469 MB of memory in use. ENERGY: 3338200 4021.1437 20569.7260 14461.1040 234.8859 -203518.4193 2767.9541 0.0000 0.0000 52362.6973 -109100.9084 300.9291 -161463.6057 -108730.4988 299.7722 -1.2048 28.1533 762933.6281 7.3839 7.3877 PRESSURE: 3338400 -121.277 -47.3201 87.8261 -47.3205 1.29443 44.2473 87.8262 44.2475 -66.5376 GPRESSURE: 3338400 -61.7973 -84.7544 53.8485 -70.1313 5.00215 124.511 88.5177 87.2007 -38.9833 PRESSAVG: 3338400 41.8519 -41.2253 55.3537 -41.2253 -45.4837 26.5728 55.3537 26.5729 28.8841 GPRESSAVG: 3338400 42.0409 -42.8663 54.1362 -42.6695 -46.2496 26.6924 55.3408 25.7523 29.4463 TIMING: 3338400 CPU: 10550.2, 0.00317324/step Wall: 10550.2, 0.00317324/step, 1.46463 hours remaining, 238.855469 MB of memory in use. ENERGY: 3338400 3927.0998 20873.8703 14460.3543 250.5001 -203320.0703 2626.6339 0.0000 0.0000 52214.0664 -108967.5454 300.0750 -161181.6118 -108602.1110 300.7520 -62.1732 -31.9262 762876.8805 8.4174 8.4126 PRESSURE: 3338600 362.38 -110.154 78.6703 -110.153 118.778 303.588 78.6702 303.588 -13.6472 GPRESSURE: 3338600 379.441 21.8246 97.6992 -24.3246 242.006 311.362 109.299 301.075 -48.2503 PRESSAVG: 3338600 -54.261 -13.0625 56.7794 -13.0625 17.8319 31.8874 56.7793 31.8874 5.82589 GPRESSAVG: 3338600 -54.7093 -8.93598 57.9357 -12.5392 17.7087 30.8413 57.6701 31.7286 6.74317 TIMING: 3338600 CPU: 10550.8, 0.0031862/step Wall: 10550.8, 0.0031862/step, 1.47043 hours remaining, 238.855469 MB of memory in use. ENERGY: 3338600 4011.6449 20536.0732 14466.8002 243.6469 -203656.6582 2946.3748 0.0000 0.0000 52455.7127 -108996.4055 301.4637 -161452.1181 -108626.8122 300.7135 155.8368 191.0656 760569.8373 -10.2011 -10.0858 PRESSURE: 3338800 -179.283 -77.7771 168.216 -77.7771 -189.492 7.77674 168.216 7.77689 107.052 GPRESSURE: 3338800 -168.072 -56.3605 223.662 -55.423 -55.9133 29.0216 243.412 9.40052 64.4795 PRESSAVG: 3338800 -14.8121 4.61865 28.9571 4.61859 49.9067 47.856 28.957 47.8561 -6.00312 GPRESSAVG: 3338800 -14.8522 4.05899 27.3844 2.90967 50.5204 48.5126 30.5542 47.8895 -6.75452 TIMING: 3338800 CPU: 10551.5, 0.00319523/step Wall: 10551.5, 0.00319523/step, 1.47442 hours remaining, 238.855469 MB of memory in use. ENERGY: 3338800 3928.1403 20587.6538 14409.3010 247.8332 -203307.5022 2613.0536 0.0000 0.0000 52255.8122 -109265.7082 300.3149 -161521.5203 -108897.8197 299.9251 -87.2410 -53.1685 761543.9555 9.6972 9.6379 PRESSURE: 3339000 261.844 -117.972 120.503 -117.973 196.78 292.212 120.503 292.212 -207.69 GPRESSURE: 3339000 286.277 -177.504 158.581 -197.389 186.903 225.521 17.5744 260.36 -137.924 PRESSAVG: 3339000 40.113 -37.6585 51.4917 -37.6585 -19.6123 34.7727 51.4916 34.7728 -4.73204 GPRESSAVG: 3339000 40.6408 -38.9422 52.0383 -36.451 -20.5156 35.2998 49.8591 32.2741 -4.16641 TIMING: 3339000 CPU: 10552.1, 0.00318388/step Wall: 10552.1, 0.00318388/step, 1.469 hours remaining, 238.855469 MB of memory in use. ENERGY: 3339000 3973.0185 20579.4357 14511.9990 224.7619 -203859.0204 2842.1662 0.0000 0.0000 52247.2952 -109480.3438 300.2659 -161727.6390 -109116.4469 299.5965 83.6446 111.7519 761098.3861 5.2562 5.3196 PRESSURE: 3339200 -415.778 21.5455 33.1605 21.5451 -105.738 -171.566 33.1615 -171.565 39.837 GPRESSURE: 3339200 -397.926 16.5489 37.2705 243.338 -9.43507 -124.873 9.05846 -111.306 27.381 PRESSAVG: 3339200 0.362665 -63.4015 26.4827 -63.4015 35.392 24.9853 26.4828 24.9853 23.087 GPRESSAVG: 3339200 0.119496 -65.5809 27.0906 -60.8308 34.6544 24.5043 26.1937 27.0808 24.9654 TIMING: 3339200 CPU: 10552.7, 0.00316606/step Wall: 10552.7, 0.00316606/step, 1.46061 hours remaining, 238.855469 MB of memory in use. ENERGY: 3339200 3926.2908 20472.8900 14480.2607 255.1008 -203285.5968 2402.3185 0.0000 0.0000 52172.5366 -109576.1994 299.8363 -161748.7360 -109204.0918 299.1189 -160.5594 -126.6599 760617.3837 19.6139 19.9131 PRESSURE: 3339400 61.006 -20.6023 19.8523 -20.6017 12.1976 -110.992 19.8514 -110.994 54.1223 GPRESSURE: 3339400 120.641 -23.29 26.9789 12.9786 -10.7999 -83.7516 115.434 -220.32 94.1872 PRESSAVG: 3339400 16.7404 -4.30291 56.6102 -4.30296 -29.751 17.2654 56.6103 17.2654 3.84575 GPRESSAVG: 3339400 18.0524 -1.47166 56.1058 -6.57117 -28.7086 15.9617 57.1783 17.0268 1.53832 TIMING: 3339400 CPU: 10553.4, 0.00319419/step Wall: 10553.4, 0.00319419/step, 1.47341 hours remaining, 238.855469 MB of memory in use. ENERGY: 3339400 3944.2351 20469.5715 14489.8011 236.3855 -203341.8464 2496.8992 0.0000 0.0000 52110.0503 -109594.9037 299.4772 -161704.9539 -109234.2311 298.8716 42.4420 68.0094 761812.1698 -3.0549 -3.0393 PRESSURE: 3339600 44.2348 -164.288 35.899 -164.288 100.258 -358.651 35.8978 -358.652 -400.595 GPRESSURE: 3339600 91.3797 20.5393 89.1636 -208.276 21.0191 -353.039 34.2788 -243.489 -301.406 PRESSAVG: 3339600 86.8157 43.3144 6.35126 43.3144 -68.6637 29.5007 6.35126 29.5007 12.3449 GPRESSAVG: 3339600 86.3682 41.8523 5.89048 42.3532 -68.7841 30.3564 6.49997 28.608 12.5924 TIMING: 3339600 CPU: 10554, 0.00319013/step Wall: 10554, 0.00319013/step, 1.47136 hours remaining, 238.855469 MB of memory in use. ENERGY: 3339600 3997.3448 20627.6581 14462.0576 262.7114 -202941.4363 2396.8663 0.0000 0.0000 51646.6359 -109548.1622 296.8139 -161194.7981 -109204.3110 298.5899 -85.3675 -63.0024 762206.5428 10.1657 10.0589 PRESSURE: 3339800 168.068 -71.3234 131.486 -71.3232 278.856 -61.5969 131.487 -61.5963 246.144 GPRESSURE: 3339800 247.336 -85.4621 52.7999 26.9525 244.533 -14.6762 181.667 -137.612 280.812 PRESSAVG: 3339800 12.3801 -34.5303 22.314 -34.5303 -37.12 -23.4522 22.3141 -23.4522 20.9061 GPRESSAVG: 3339800 11.9765 -33.9451 23.4084 -33.6203 -36.9005 -22.6841 20.8828 -22.7099 21.3617 TIMING: 3339800 CPU: 10554.7, 0.00317008/step Wall: 10554.7, 0.00317009/step, 1.46194 hours remaining, 238.855469 MB of memory in use. ENERGY: 3339800 3989.4194 20523.4696 14456.0932 255.5173 -203384.5299 2686.8107 0.0000 0.0000 51902.1590 -109571.0608 298.2824 -161473.2198 -109216.0592 298.6173 231.0228 257.5605 760530.9816 -1.2779 -1.1874 PRESSURE: 3340000 -419.595 57.8038 38.4884 57.8041 -171.118 109.625 38.4883 109.625 -309.044 GPRESSURE: 3340000 -392.814 111.69 55.8177 -32.4195 -122.373 20.0301 99.1398 37.8312 -299.526 PRESSAVG: 3340000 10.3883 -21.9762 42.7095 -21.9762 -2.97157 -12.1946 42.7095 -12.1947 -7.05263 GPRESSAVG: 3340000 10.5424 -21.2883 41.9742 -22.4675 -3.4034 -11.6615 45.1792 -12.535 -6.73945 TIMING: 3340000 CPU: 10555.3, 0.00317053/step Wall: 10555.3, 0.00317053/step, 1.46196 hours remaining, 238.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3340000 3989.6097 20508.1449 14438.2073 221.7281 -203103.1802 2340.3749 0.0000 0.0000 52157.7560 -109447.3594 299.7513 -161605.1153 -109076.9585 299.0802 -299.9189 -271.5707 763429.3875 0.1214 0.1332 PRESSURE: 3340200 -206.576 12.1571 -239.776 12.1579 157.39 2.04074 -239.776 2.04068 -54.0614 GPRESSURE: 3340200 -174.585 -66.2168 -201.332 -98.479 242.762 22.2448 -184.747 63.487 -68.882 PRESSAVG: 3340200 -33.3877 -52.6324 60.8986 -52.6324 -12.683 37.0127 60.8986 37.0127 -13.6954 GPRESSAVG: 3340200 -33.4916 -52.8463 60.161 -52.4343 -11.1334 37.5709 60.7131 37.6457 -14.2116 TIMING: 3340200 CPU: 10555.9, 0.00315189/step Wall: 10555.9, 0.00315189/step, 1.4532 hours remaining, 238.855469 MB of memory in use. ENERGY: 3340200 3950.4790 20402.3556 14474.4483 253.5312 -203506.2442 2805.7928 0.0000 0.0000 52139.3871 -109480.2502 299.6458 -161619.6374 -109117.2656 298.8856 -34.4157 -0.2349 761709.7014 -19.9220 -19.6122 LDB: ============= START OF LOAD BALANCING ============== 10568.3 LDB: ============== END OF LOAD BALANCING =============== 10568.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10568.3 LDB: ============= START OF LOAD BALANCING ============== 10568.6 LDB: Largest compute 7037 load 0.032483 is 16.6% of average load 0.196136 LDB: Average compute 0.004354 is 2.2% of average load 0.196136 LDB: TIME 10568.6 LOAD: AVG 0.196136 MAX 0.217565 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.371 MB LDB: TIME 10568.6 LOAD: AVG 0.196136 MAX 0.217565 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 10568.6 LOAD: AVG 0.196136 MAX 0.217565 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: ============== END OF LOAD BALANCING =============== 10568.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10568.6 PRESSURE: 3340400 332.35 -28.4249 -186.07 -28.4244 -83.3257 -22.8064 -186.07 -22.8052 -64.7589 GPRESSURE: 3340400 335.565 -52.988 -162.64 -83.6902 22.1966 10.1773 -129.786 -24.6778 -87.4184 PRESSAVG: 3340400 31.1272 -66.8186 -15.9168 -66.8185 -45.4388 7.10798 -15.9168 7.108 -4.61847 GPRESSAVG: 3340400 31.352 -67.0917 -15.6639 -68.6272 -46.3705 5.64407 -16.5854 7.59669 -4.5533 TIMING: 3340400 CPU: 10556.6, 0.00321979/step Wall: 10556.6, 0.00321979/step, 1.48432 hours remaining, 238.402344 MB of memory in use. ENERGY: 3340400 3962.0159 20648.3505 14493.5465 231.6726 -203600.6009 2831.0000 0.0000 0.0000 52010.9755 -109423.0399 298.9078 -161434.0154 -109061.2824 299.4638 61.4218 90.1142 761032.9087 -6.3100 -6.5240 PRESSURE: 3340600 103.974 28.1831 -73.8508 28.1833 -53.0134 -51.3122 -73.8507 -51.3127 -102.361 GPRESSURE: 3340600 78.531 59.5513 -120.505 69.0617 -66.8232 -98.1435 -7.51999 -68.4388 16.9149 PRESSAVG: 3340600 28.425 13.2435 6.35214 13.2435 -14.5181 -40.504 6.35217 -40.5041 20.9294 GPRESSAVG: 3340600 28.0507 13.3234 5.90503 14.2794 -14.9991 -39.9272 5.94465 -41.7395 21.7687 TIMING: 3340600 CPU: 10557.2, 0.00313696/step Wall: 10557.2, 0.00313696/step, 1.44597 hours remaining, 238.402344 MB of memory in use. ENERGY: 3340600 3891.3955 20708.7210 14463.8664 266.1470 -203058.7748 2324.1266 0.0000 0.0000 51772.3756 -109632.1426 297.5366 -161404.5182 -109270.2124 299.2747 -17.1337 9.5409 762492.2081 11.6121 11.6068 PRESSURE: 3340800 47.9571 9.43122 32.4529 9.43204 -128.878 68.7442 32.453 68.7432 -131.793 GPRESSURE: 3340800 80.8444 -13.9832 106.961 -74.166 -117.017 159.92 157.418 20.3124 -98.0028 PRESSAVG: 3340800 -5.92615 -46.7315 5.31558 -46.7314 29.0308 -17.759 5.31559 -17.7591 -11.7049 GPRESSAVG: 3340800 -6.75237 -47.2489 6.40759 -47.7402 30.7915 -18.8344 5.29267 -17.2391 -12.4078 TIMING: 3340800 CPU: 10557.8, 0.0031222/step Wall: 10557.8, 0.0031222/step, 1.43899 hours remaining, 238.402344 MB of memory in use. ENERGY: 3340800 4017.7314 20572.2293 14455.1611 239.6416 -203849.4943 2680.4601 0.0000 0.0000 51939.0621 -109945.2087 298.4945 -161884.2707 -109584.8925 298.4385 -70.9049 -44.7251 761517.4207 3.7999 3.8771 PRESSURE: 3341000 -161.094 -84.2267 90.8809 -84.2265 211.723 -357.868 90.881 -357.867 252.561 GPRESSURE: 3341000 -97.5145 -71.0226 169.783 -88.0989 209.298 -289.738 63.1943 -288.756 280.61 PRESSAVG: 3341000 17.503 -49.9164 -65.6641 -49.9164 -23.1275 -15.0045 -65.6641 -15.0045 -3.77015 GPRESSAVG: 3341000 18.5803 -49.1486 -65.9725 -50.0393 -24.2618 -13.8276 -66.2974 -14.2677 -3.09029 TIMING: 3341000 CPU: 10558.4, 0.00312215/step Wall: 10558.4, 0.00312215/step, 1.43879 hours remaining, 238.402344 MB of memory in use. ENERGY: 3341000 3981.4182 20331.6980 14434.7681 263.0604 -203572.1670 2706.6196 0.0000 0.0000 52076.6271 -109777.9757 299.2851 -161854.6028 -109415.6264 298.6823 101.0634 130.7979 761513.2991 -3.1315 -2.9239 PRESSURE: 3341200 293.701 -174.395 -6.18637 -174.396 -52.1157 49.6644 -6.18708 49.6651 -128.928 GPRESSURE: 3341200 377.409 -281.031 -106.35 -257.611 -32.8375 206.494 44.5384 87.433 -132.886 PRESSAVG: 3341200 12.6618 -14.1584 -13.9653 -14.1584 4.99663 -19.717 -13.9654 -19.717 13.8698 GPRESSAVG: 3341200 13.1245 -14.9143 -16.1893 -13.3411 4.63071 -19.0912 -15.2434 -18.9954 13.8312 TIMING: 3341200 CPU: 10559.1, 0.00315602/step Wall: 10559.1, 0.00315602/step, 1.45422 hours remaining, 238.402344 MB of memory in use. ENERGY: 3341200 3973.5247 20530.0772 14470.3570 245.9996 -203748.2768 2804.2754 0.0000 0.0000 51907.9968 -109816.0462 298.3160 -161724.0431 -109466.5023 298.7841 37.5523 70.5619 760238.2355 10.5094 10.5288 PRESSURE: 3341400 367.862 -69.6567 56.0763 -69.6568 -51.9322 99.8132 56.0764 99.8128 6.28823 GPRESSURE: 3341400 370.354 -147.679 31.7285 3.1256 -66.8431 97.56 40.0033 54.6716 87.4112 PRESSAVG: 3341400 10.7395 -17.853 48.6826 -17.853 -35.8302 10.9383 48.6826 10.9385 -25.5867 GPRESSAVG: 3341400 10.0524 -16.4944 51.4967 -16.6985 -35.6477 10.3029 51.1088 10.5343 -25.3876 TIMING: 3341400 CPU: 10559.7, 0.00314434/step Wall: 10559.7, 0.00314434/step, 1.44867 hours remaining, 238.402344 MB of memory in use. ENERGY: 3341400 3981.9319 20583.0002 14485.5894 238.4861 -203360.5488 2509.9546 0.0000 0.0000 51959.8437 -109601.7429 298.6139 -161561.5866 -109249.3287 298.5961 107.4059 130.3074 760458.1110 -16.8925 -16.9943 PRESSURE: 3341600 107.36 113.164 192.878 113.164 -204.846 78.1384 192.879 78.1384 -50.2633 GPRESSURE: 3341600 79.7776 112.82 174.983 69.3821 -124.688 9.45576 127.798 -4.58807 -0.80754 PRESSAVG: 3341600 54.5453 -38.1814 13.4316 -38.1814 -68.1448 -7.49679 13.4317 -7.49685 13.8119 GPRESSAVG: 3341600 54.4539 -39.5598 13.1623 -39.5191 -67.5077 -8.50921 12.0468 -9.45411 13.1032 TIMING: 3341600 CPU: 10560.3, 0.00315591/step Wall: 10560.3, 0.00315591/step, 1.45382 hours remaining, 238.402344 MB of memory in use. ENERGY: 3341600 3918.0005 20525.0226 14476.4736 240.7964 -203016.3709 2431.4450 0.0000 0.0000 51975.3686 -109449.2643 298.7032 -161424.6329 -109096.5981 299.1452 -49.2495 -15.2394 762678.1942 0.0708 0.0165 PRESSURE: 3341800 -408.681 136.816 177.42 136.817 144.863 -26.552 177.42 -26.5529 -91.1025 GPRESSURE: 3341800 -354.615 155.585 131.504 30.6321 88.5639 -19.0391 286.786 11.5172 9.61813 PRESSAVG: 3341800 -47.1116 -21.1302 70.9038 -21.1302 -3.01993 -1.03232 70.9038 -1.03232 7.90397 GPRESSAVG: 3341800 -46.1449 -20.0493 70.2197 -20.2176 -4.498 0.414471 70.5175 -1.13203 7.8806 TIMING: 3341800 CPU: 10561, 0.00314962/step Wall: 10561, 0.00314962/step, 1.45075 hours remaining, 238.402344 MB of memory in use. ENERGY: 3341800 3995.4948 20425.4245 14534.0654 243.6923 -202912.0053 2391.0179 0.0000 0.0000 51930.3193 -109391.9911 298.4443 -161322.3104 -109034.4300 299.1552 -118.3069 -85.4775 763610.8103 -14.0759 -14.2541 PRESSURE: 3342000 173.315 -257.379 -9.04105 -257.379 56.8183 185.635 -9.04119 185.636 379.288 GPRESSURE: 3342000 136.874 -275.504 -9.53455 -357.123 140.206 47.5454 -5.30603 249.304 423.791 PRESSAVG: 3342000 4.1951 -27.6452 48.0724 -27.6451 1.00127 34.6365 48.0724 34.6365 17.1122 GPRESSAVG: 3342000 2.80352 -29.1826 48.203 -28.8378 2.3571 35.3639 47.1942 35.3878 17.8252 TIMING: 3342000 CPU: 10561.6, 0.00314308/step Wall: 10561.6, 0.00314308/step, 1.44756 hours remaining, 238.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3342000 4034.0405 20525.5670 14465.0521 232.4682 -203472.3634 2785.8614 0.0000 0.0000 51989.6264 -109439.7479 298.7851 -161429.3743 -109073.4599 299.4244 203.1403 233.6237 760331.9887 7.4362 7.6619 PRESSURE: 3342200 -127.585 -29.65 -179.62 -29.6502 -184.731 -249.011 -179.62 -249.011 -130.008 GPRESSURE: 3342200 -108.989 -53.0431 -194.02 -47.4862 -144.202 -196.172 -109.918 -195.854 -101.568 PRESSAVG: 3342200 50.5585 -51.5176 3.92702 -51.5176 -50.5817 42.1834 3.92702 42.1833 8.04217 GPRESSAVG: 3342200 51.1769 -51.3165 3.44475 -52.2372 -51.6723 39.6185 5.82145 43.5923 8.12943 TIMING: 3342200 CPU: 10562.2, 0.00313919/step Wall: 10562.2, 0.00313919/step, 1.4456 hours remaining, 238.402344 MB of memory in use. ENERGY: 3342200 3952.8917 20418.6852 14505.3083 246.9101 -203342.8702 2547.6846 0.0000 0.0000 52028.3381 -109643.0523 299.0076 -161671.3903 -109278.5583 298.7440 -147.4414 -118.2530 762127.4088 2.6730 2.5447 PRESSURE: 3342400 -259.861 -75.6883 150.016 -75.6878 248.044 100.471 150.016 100.47 -14.0725 GPRESSURE: 3342400 -232.153 -75.0794 128.868 -88.7081 270.899 136.876 189.62 156.663 26.3154 PRESSAVG: 3342400 -0.791589 -6.46642 -14.9724 -6.46643 4.46617 -16.3377 -14.9724 -16.3377 10.8645 GPRESSAVG: 3342400 -1.64175 -5.09868 -14.717 -4.73007 5.40849 -14.1543 -14.7522 -17.3821 10.9199 TIMING: 3342400 CPU: 10562.8, 0.00312281/step Wall: 10562.8, 0.00312281/step, 1.43788 hours remaining, 238.402344 MB of memory in use. ENERGY: 3342400 4013.0578 20606.8658 14507.0317 246.6846 -204088.3559 2976.6734 0.0000 0.0000 51982.5169 -109755.5257 298.7442 -161738.0427 -109392.9053 299.1666 -8.6298 21.6874 760673.9903 4.8464 4.8955 PRESSURE: 3342600 -148.653 -4.58434 -34.8533 -4.58486 -73.1108 78.2414 -34.8531 78.2413 -54.5712 GPRESSURE: 3342600 -85.3913 21.6725 -35.4553 -108.945 -60.0692 33.9926 -81.1423 151.235 -56.969 PRESSAVG: 3342600 -16.8105 -26.0652 4.23527 -26.0652 21.6792 50.5005 4.23528 50.5003 3.54649 GPRESSAVG: 3342600 -15.1875 -28.0482 3.12909 -25.909 21.1956 50.2139 2.73453 51.483 2.69138 TIMING: 3342600 CPU: 10563.5, 0.00313614/step Wall: 10563.5, 0.00313614/step, 1.44385 hours remaining, 238.402344 MB of memory in use. ENERGY: 3342600 3961.4635 20517.0179 14504.3555 235.3400 -203822.2214 2758.6660 0.0000 0.0000 52057.3390 -109788.0395 299.1742 -161845.3785 -109428.8884 298.9757 -92.1116 -67.4765 760345.9768 2.8050 2.8998 PRESSURE: 3342800 2.33614 84.1001 186.191 84.0999 -215.86 97.7549 186.191 97.7544 39.2137 GPRESSURE: 3342800 -33.5626 39.696 134.082 -6.41798 -162.994 111.292 135.025 85.0087 92.4027 PRESSAVG: 3342800 33.8282 -18.0143 20.1131 -18.0142 -13.316 25.2656 20.1131 25.2656 7.70517 GPRESSAVG: 3342800 33.0919 -16.7714 21.5048 -20.7114 -13.3424 25.0508 20.6718 24.8665 8.53023 TIMING: 3342800 CPU: 10564.1, 0.00312068/step Wall: 10564.1, 0.00312068/step, 1.43655 hours remaining, 238.402344 MB of memory in use. ENERGY: 3342800 3918.0278 20516.1246 14464.8252 243.0857 -203431.1166 2582.6984 0.0000 0.0000 51785.4800 -109920.8750 297.6119 -161706.3549 -109565.9709 298.8191 -58.1035 -34.7179 761150.8281 9.4058 9.4266 PRESSURE: 3343000 53.0904 -143.039 26.5204 -143.038 267.519 231.826 26.5195 231.827 -86.5433 GPRESSURE: 3343000 109.106 -158.279 64.4455 -146.986 236.32 241.437 3.7933 212.323 -47.7634 PRESSAVG: 3343000 9.1007 -25.7276 21.8704 -25.7276 -16.1505 59.9475 21.8704 59.9476 -1.54593 GPRESSAVG: 3343000 8.61324 -28.2498 21.5072 -22.8694 -15.932 60.2112 21.7735 58.4162 -1.28402 TIMING: 3343000 CPU: 10564.7, 0.0031365/step Wall: 10564.7, 0.0031365/step, 1.44366 hours remaining, 238.402344 MB of memory in use. ENERGY: 3343000 3977.9303 20537.5363 14438.7141 246.3160 -203801.7350 2742.9972 0.0000 0.0000 51927.3485 -109930.8926 298.4272 -161858.2410 -109578.7548 298.5677 78.0220 99.2207 761320.7375 -2.8652 -2.8676 PRESSURE: 3343200 239.168 -89.7517 -282.258 -89.7516 -130.869 -97.7583 -282.259 -97.7584 106.437 GPRESSURE: 3343200 270.366 -48.4951 -248.221 -65.0838 -84.3083 -137.746 -200.529 -88.9538 120.771 PRESSAVG: 3343200 22.403 -15.8957 -9.03585 -15.8957 -39.6631 48.7051 -9.03583 48.7052 8.44388 GPRESSAVG: 3343200 22.1193 -14.23 -9.18494 -16.8872 -38.9895 48.6592 -7.2953 48.5629 8.43226 TIMING: 3343200 CPU: 10565.3, 0.00313078/step Wall: 10565.3, 0.00313078/step, 1.44085 hours remaining, 238.402344 MB of memory in use. ENERGY: 3343200 4009.6544 20620.4268 14434.7649 247.6578 -203796.3715 2613.2052 0.0000 0.0000 51760.2109 -110110.4515 297.4666 -161870.6624 -109751.5361 298.8798 71.5790 102.2760 759375.8241 -2.9387 -2.8126 PRESSURE: 3343400 244.925 -27.8422 -68.7137 -27.8419 -240.839 155.649 -68.7144 155.648 29.4267 GPRESSURE: 3343400 286.516 -42.5103 -16.2218 66.031 -188.691 142.939 -28.3424 93.2694 24.1102 PRESSAVG: 3343400 10.8869 -38.4987 -54.5746 -38.4987 -6.18342 -9.1745 -54.5746 -9.17449 -24.3518 GPRESSAVG: 3343400 11.278 -37.7275 -52.4726 -37.6501 -6.05303 -10.3914 -55.3776 -7.58077 -24.5783 TIMING: 3343400 CPU: 10566, 0.00313185/step Wall: 10566, 0.00313185/step, 1.44117 hours remaining, 238.402344 MB of memory in use. ENERGY: 3343400 3972.7016 20677.2224 14444.7687 257.4061 -203510.0149 2591.1469 0.0000 0.0000 51750.0607 -109816.7085 297.4083 -161566.7692 -109456.3463 298.0014 11.1710 40.6450 761725.0666 -6.5494 -6.4511 PRESSURE: 3343600 -128.419 92.8724 112.683 92.8726 66.2335 -4.64795 112.683 -4.64884 -406.943 GPRESSURE: 3343600 -56.6766 69.1635 119.632 149.319 5.24128 -97.517 119.306 -1.47241 -340.465 PRESSAVG: 3343600 -0.0834573 -6.30232 -6.60508 -6.30235 -11.4449 32.4253 -6.60511 32.4253 15.4799 GPRESSAVG: 3343600 1.1461 -5.0087 -9.59049 -6.54163 -13.486 34.7847 -5.13381 30.5248 16.2256 TIMING: 3343600 CPU: 10566.6, 0.00314181/step Wall: 10566.6, 0.00314181/step, 1.44558 hours remaining, 238.402344 MB of memory in use. ENERGY: 3343600 4081.2417 20671.9592 14377.8103 230.4194 -203212.2373 2239.0287 0.0000 0.0000 51735.1774 -109876.6007 297.3228 -161611.7781 -109522.1921 298.4593 -156.3761 -130.6336 761492.5860 1.3172 1.2952 PRESSURE: 3343800 -366.31 -6.48386 12.8861 -6.48373 -2.54951 196.434 12.8852 196.434 -214.682 GPRESSURE: 3343800 -320.369 -28.6247 -178.509 -62.9629 33.3128 240.621 18.6498 173.03 -220.559 PRESSAVG: 3343800 -15.3919 -32.211 -19.5141 -32.211 16.0945 12.1282 -19.5141 12.1281 5.90227 GPRESSAVG: 3343800 -16.1749 -32.6632 -18.6365 -33.0662 17.8945 11.8076 -22.7669 13.9126 4.73569 TIMING: 3343800 CPU: 10567.2, 0.00315896/step Wall: 10567.2, 0.00315896/step, 1.4533 hours remaining, 238.402344 MB of memory in use. ENERGY: 3343800 3953.3576 20651.4922 14443.3703 246.3629 -203180.2999 2348.1065 0.0000 0.0000 51778.8891 -109758.7215 297.5740 -161537.6106 -109397.3234 298.4454 -194.5139 -169.2051 763764.7844 2.2016 2.1518 PRESSURE: 3344000 269.716 40.655 -81.9564 40.6545 19.4602 21.8308 -81.9568 21.8316 174.367 GPRESSURE: 3344000 250.721 23.896 0.0795599 51.6612 103.205 67.8746 -97.7367 49.1177 162.828 PRESSAVG: 3344000 -6.18282 -13.6661 21.3978 -13.6661 2.22546 9.74963 21.3979 9.74958 -7.08838 GPRESSAVG: 3344000 -6.00243 -16.5644 21.1671 -11.9629 0.50597 9.28574 22.1833 8.20638 -5.67786 TIMING: 3344000 CPU: 10567.9, 0.00314797/step Wall: 10567.9, 0.00314797/step, 1.44807 hours remaining, 238.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3344000 3949.4449 20490.2411 14451.0593 241.5857 -203656.5861 2825.2801 0.0000 0.0000 52055.8584 -109643.1165 299.1657 -161698.9750 -109290.6510 298.6423 154.5144 172.2514 761871.2595 -3.6819 -3.7248 PRESSURE: 3344200 -26.3295 25.0043 -174.794 25.0044 5.35048 95.5621 -174.795 95.5629 -102.257 GPRESSURE: 3344200 -84.6602 -14.1723 -195.973 12.8917 87.6089 71.7065 -227.851 63.832 -30.2888 PRESSAVG: 3344200 43.1451 -62.0778 42.0215 -62.0778 -29.9122 -60.8259 42.0215 -60.8259 0.407126 GPRESSAVG: 3344200 43.5122 -58.7564 42.0903 -61.9199 -29.1896 -61.5739 42.1177 -58.3249 -0.504713 TIMING: 3344200 CPU: 10568.5, 0.00315034/step Wall: 10568.5, 0.00315034/step, 1.44898 hours remaining, 238.402344 MB of memory in use. ENERGY: 3344200 4022.5007 20470.2504 14465.5643 252.8218 -203310.8265 2408.7325 0.0000 0.0000 51871.6179 -109819.3390 298.1069 -161690.9569 -109460.5637 298.7421 -41.0785 -9.1134 760323.7308 4.5467 4.6060 LDB: ============= START OF LOAD BALANCING ============== 10580.9 LDB: ============== END OF LOAD BALANCING =============== 10580.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10580.9 LDB: ============= START OF LOAD BALANCING ============== 10581.2 LDB: Largest compute 7033 load 0.032423 is 16.5% of average load 0.196117 LDB: Average compute 0.004376 is 2.2% of average load 0.196117 LDB: TIME 10581.2 LOAD: AVG 0.196117 MAX 0.217302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.754 MB LDB: TIME 10581.2 LOAD: AVG 0.196117 MAX 0.217302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: TIME 10581.2 LOAD: AVG 0.196117 MAX 0.217302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: ============== END OF LOAD BALANCING =============== 10581.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10581.2 PRESSURE: 3344400 -228.373 8.44443 -79.7721 8.44331 -14.5664 -5.74104 -79.7714 -5.74122 210.164 GPRESSURE: 3344400 -126.109 48.0531 -148.84 -8.55373 -35.2366 -35.3769 -96.5225 123.486 203.378 PRESSAVG: 3344400 17.1692 -15.1582 -46.8541 -15.1582 1.98273 -28.5668 -46.8541 -28.5668 8.96918 GPRESSAVG: 3344400 16.2153 -16.1324 -45.9617 -16.1759 2.27817 -29.3259 -48.0291 -30.231 9.17625 TIMING: 3344400 CPU: 10569.1, 0.0032164/step Wall: 10569.1, 0.0032164/step, 1.47918 hours remaining, 238.613281 MB of memory in use. ENERGY: 3344400 4009.1280 20455.4516 14507.5751 248.3720 -203650.2090 2513.5045 0.0000 0.0000 51843.4744 -110072.7034 297.9452 -161916.1778 -109710.9530 298.2558 -10.9250 14.0109 758910.1663 9.3737 9.2232 PRESSURE: 3344600 -47.3543 82.5398 7.01435 82.5405 103.645 89.4794 7.01397 89.4796 151.085 GPRESSURE: 3344600 44.634 -57.3333 11.0015 78.7152 114.096 117.064 99.7159 -12.9949 134.266 PRESSAVG: 3344600 19.6885 -32.7603 -6.72907 -32.7603 -31.4928 -26.5831 -6.72912 -26.5831 -17.6353 GPRESSAVG: 3344600 21.4845 -31.9879 -8.66898 -33.8946 -32.355 -24.9746 -7.40703 -28.4625 -18.4676 TIMING: 3344600 CPU: 10569.8, 0.00313552/step Wall: 10569.8, 0.00313552/step, 1.44181 hours remaining, 238.816406 MB of memory in use. ENERGY: 3344600 4029.7663 20436.4343 14450.6685 244.6609 -203865.5710 2834.6165 0.0000 0.0000 51698.9487 -110170.4758 297.1146 -161869.4244 -109825.4607 297.6973 69.1250 97.6653 760727.6897 -9.8132 -9.7794 PRESSURE: 3344800 -470.486 -144.413 115.798 -144.413 -186.859 -113.064 115.799 -113.064 -60.0911 GPRESSURE: 3344800 -500.494 -60.4757 187.224 -206.29 -120.152 -67.7737 45.373 13.9288 -24.3895 PRESSAVG: 3344800 98.3349 2.66187 39.7319 2.66179 -36.9463 -16.3683 39.7319 -16.3682 9.40653 GPRESSAVG: 3344800 97.6381 1.46168 41.0881 4.07262 -37.0167 -16.5984 42.9032 -14.2727 9.83443 TIMING: 3344800 CPU: 10570.4, 0.00315519/step Wall: 10570.4, 0.00315519/step, 1.45068 hours remaining, 238.816406 MB of memory in use. ENERGY: 3344800 4031.2230 20311.4102 14472.8914 246.1479 -203570.6193 2462.5743 0.0000 0.0000 51823.4368 -110222.9355 297.8300 -162046.3723 -109860.5048 297.7154 -239.1454 -215.0119 759748.7438 23.5984 23.4853 PRESSURE: 3345000 -195.07 -197.99 -208.321 -197.989 144.749 74.29 -208.322 74.2903 -65.105 GPRESSURE: 3345000 -109.766 -137.708 -87.2935 -165.924 128.314 70.7741 -93.6453 54.3323 -59.7614 PRESSAVG: 3345000 29.9441 -23.898 18.0838 -23.898 7.84868 -2.7427 18.0838 -2.74272 -14.7729 GPRESSAVG: 3345000 29.7076 -23.0216 18.1352 -23.2027 9.20394 -3.81786 17.7738 -0.742074 -15.6741 TIMING: 3345000 CPU: 10571, 0.00313929/step Wall: 10571, 0.00313929/step, 1.4432 hours remaining, 238.816406 MB of memory in use. ENERGY: 3345000 4043.0143 20547.4581 14389.6790 252.6279 -203502.1849 2649.2422 0.0000 0.0000 51800.0658 -109820.0976 297.6957 -161620.1635 -109473.7934 298.0911 -38.4754 -13.7379 760313.7388 7.6733 7.7458 PRESSURE: 3345200 22.7721 -171.803 -47.0402 -171.804 -4.90993 -298.515 -47.0408 -298.515 -90.0663 GPRESSURE: 3345200 56.6593 -14.5081 -123.41 -190.509 64.6458 -273.228 5.8329 -425.55 -105.088 PRESSAVG: 3345200 64.6815 -65.2854 -58.3749 -65.2854 -34.7249 -22.1752 -58.3749 -22.1751 -12.7531 GPRESSAVG: 3345200 65.5894 -66.4197 -60.6503 -66.7638 -36.6192 -21.8689 -57.613 -24.5994 -11.8113 TIMING: 3345200 CPU: 10571.6, 0.00313701/step Wall: 10571.6, 0.00313701/step, 1.44198 hours remaining, 238.816406 MB of memory in use. ENERGY: 3345200 3986.0263 20607.5864 14443.6517 232.5768 -203611.9309 2734.2075 0.0000 0.0000 51903.4634 -109704.4188 298.2899 -161607.8822 -109340.1225 298.6472 -24.0681 5.4057 760594.8750 5.7345 5.7196 PRESSURE: 3345400 -123.7 -30.0399 -80.7093 -30.0405 -294.302 21.6481 -80.709 21.6485 98.1871 GPRESSURE: 3345400 -69.8541 -5.6336 -104.853 -69.9747 -213.727 -36.9604 87.946 218.646 38.9292 PRESSAVG: 3345400 14.9621 -38.2325 12.0799 -38.2326 -16.6073 2.91349 12.0798 2.91344 20.3367 GPRESSAVG: 3345400 13.819 -38.4563 14.4986 -35.5751 -15.7363 1.81767 10.0671 2.46422 20.7658 TIMING: 3345400 CPU: 10572.3, 0.00314896/step Wall: 10572.3, 0.00314896/step, 1.4473 hours remaining, 238.816406 MB of memory in use. ENERGY: 3345400 4053.8208 20578.1631 14429.2757 240.5489 -203305.3190 2368.9919 0.0000 0.0000 51985.8163 -109648.7022 298.7632 -161634.5186 -109282.3505 298.8353 -106.6050 -81.5508 761800.7741 6.2305 6.2828 PRESSURE: 3345600 -247.719 59.3506 117.898 59.35 -79.3802 38.1247 117.897 38.1245 -272.334 GPRESSURE: 3345600 -241.142 -6.80077 149.766 3.41688 -35.2746 -70.4173 146.453 15.6825 -243.881 PRESSAVG: 3345600 45.2238 -84.9238 47.5937 -84.9238 -67.0452 12.7549 47.5937 12.7549 5.63088 GPRESSAVG: 3345600 45.2232 -85.6019 48.287 -87.6735 -67.2723 13.9572 46.0361 11.8206 5.42519 TIMING: 3345600 CPU: 10572.9, 0.00313855/step Wall: 10572.9, 0.00313855/step, 1.44234 hours remaining, 238.816406 MB of memory in use. ENERGY: 3345600 4085.9526 20594.5062 14488.3511 241.6333 -203805.1362 2839.3927 0.0000 0.0000 51943.3561 -109611.9443 298.5192 -161555.3004 -109244.8820 298.8790 -199.8111 -173.4324 761372.3551 -5.3968 -5.5413 PRESSURE: 3345800 -50.6856 -257.91 285.88 -257.911 99.24 53.2931 285.88 53.2935 198.78 GPRESSURE: 3345800 -23.1575 -157.925 211.282 -211.576 196.162 47.077 250.058 -26.502 167.465 PRESSAVG: 3345800 20.4586 11.2716 58.701 11.2715 23.6658 -13.4197 58.7011 -13.4197 -10.0874 GPRESSAVG: 3345800 19.4573 13.231 57.8237 11.1806 24.4722 -14.9418 58.6056 -11.1777 -9.72342 TIMING: 3345800 CPU: 10573.5, 0.00314534/step Wall: 10573.5, 0.00314534/step, 1.44528 hours remaining, 238.816406 MB of memory in use. ENERGY: 3345800 3967.4467 20451.3095 14419.2296 250.3444 -204055.0283 3104.6596 0.0000 0.0000 51958.0714 -109903.9671 298.6038 -161862.0385 -109541.9444 298.6517 82.4449 113.4899 760917.5905 11.3457 11.4020 PRESSURE: 3346000 -208.55 30.9981 64.9367 30.9984 -293.899 -5.60151 64.9355 -5.60192 -153.869 GPRESSURE: 3346000 -173.384 63.3963 -20.8358 -29.6912 -237.281 53.4401 136.78 6.00348 -161.494 PRESSAVG: 3346000 -7.18866 -12.5341 24.9078 -12.5341 2.06587 -14.6744 24.9078 -14.6744 0.857506 GPRESSAVG: 3346000 -6.08605 -14.1859 23.2744 -12.0126 2.48134 -14.1872 27.4893 -14.5302 -1.00998 TIMING: 3346000 CPU: 10574.2, 0.00313149/step Wall: 10574.2, 0.00313149/step, 1.43875 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3346000 4061.9614 20501.2758 14508.2160 240.6839 -203850.0971 2649.7693 0.0000 0.0000 52196.0508 -109692.1399 299.9714 -161888.1908 -109329.3907 299.0044 -218.7727 -190.7195 761021.7114 -1.4218 -1.5382 PRESSURE: 3346200 2.74083 -372.286 -281.038 -372.286 -130.069 145.661 -281.039 145.66 -589.712 GPRESSURE: 3346200 1.10518 -199.815 -300.056 -360.755 -102.156 138.675 -163.233 98.5113 -528.192 PRESSAVG: 3346200 52.2824 -4.86882 -7.74671 -4.86883 9.92141 2.02683 -7.74669 2.0268 -12.1708 GPRESSAVG: 3346200 51.92 -3.67602 -6.91824 -5.94047 8.8671 4.13391 -8.42875 1.66934 -10.9349 TIMING: 3346200 CPU: 10574.8, 0.00315263/step Wall: 10574.8, 0.00315263/step, 1.44829 hours remaining, 238.816406 MB of memory in use. ENERGY: 3346200 4042.5381 20525.3323 14408.3094 260.5608 -203720.8742 2617.9314 0.0000 0.0000 52094.1402 -109772.0620 299.3857 -161866.2022 -109397.1959 299.1109 -239.0137 -209.7477 760335.2694 16.6777 16.6174 PRESSURE: 3346400 53.2243 -28.9842 -74.2834 -28.9837 -107.274 240.727 -74.2832 240.728 190.418 GPRESSURE: 3346400 26.9247 123.553 -83.8698 -9.64426 19.4207 207.706 -18.8661 37.0692 170.192 PRESSAVG: 3346400 67.1301 -43.1549 -19.5511 -43.155 -55.8623 -10.0349 -19.5512 -10.0349 -6.65143 GPRESSAVG: 3346400 66.4287 -43.1977 -18.5312 -43.6613 -55.0369 -10.2175 -18.2103 -14.2387 -7.2669 TIMING: 3346400 CPU: 10575.4, 0.00315557/step Wall: 10575.4, 0.00315557/step, 1.44946 hours remaining, 238.816406 MB of memory in use. ENERGY: 3346400 3983.7453 20648.5445 14414.0362 234.4744 -203758.0255 2884.0998 0.0000 0.0000 51943.3526 -109649.7729 298.5192 -161593.1254 -109294.2887 299.1606 45.4560 72.1790 761009.5247 1.5388 1.3750 PRESSURE: 3346600 -184.762 -74.7523 77.5339 -74.7525 -77.7329 132.549 77.534 132.549 -121.819 GPRESSURE: 3346600 -126.956 -107.648 47.2946 -30.5151 -20.2395 119.812 24.141 318.286 -151.402 PRESSAVG: 3346600 33.3949 -62.5848 -50.51 -62.5848 -18.1126 49.6335 -50.5101 49.6334 13.9215 GPRESSAVG: 3346600 32.871 -62.638 -50.8142 -60.6 -17.4734 47.6463 -50.6179 52.6749 12.5889 TIMING: 3346600 CPU: 10576.1, 0.00315455/step Wall: 10576.1, 0.00315455/step, 1.44881 hours remaining, 238.816406 MB of memory in use. ENERGY: 3346600 3974.6981 20396.7779 14436.1980 240.9125 -203429.1190 2573.4128 0.0000 0.0000 51955.1121 -109852.0076 298.5867 -161807.1197 -109481.8298 298.4869 -128.1047 -99.5326 761326.8049 9.7346 9.3288 PRESSURE: 3346800 73.3308 173.527 163.029 173.528 -22.7059 -55.7075 163.03 -55.7071 -405.107 GPRESSURE: 3346800 106.023 164.522 169.62 175.76 9.59311 -72.6254 82.3201 -133.052 -403.765 PRESSAVG: 3346800 16.8822 -7.09836 -12.8123 -7.09834 -17.2262 -46.3206 -12.8122 -46.3207 -19.2988 GPRESSAVG: 3346800 18.5296 -8.34422 -13.945 -6.95467 -20.2416 -44.9333 -12.8948 -45.1709 -17.3057 TIMING: 3346800 CPU: 10576.7, 0.0031602/step Wall: 10576.7, 0.0031602/step, 1.45123 hours remaining, 238.816406 MB of memory in use. ENERGY: 3346800 4022.1587 20507.0069 14512.3439 239.0543 -203734.7852 2631.7041 0.0000 0.0000 52101.5684 -109720.9489 299.4284 -161822.5173 -109353.9698 299.2117 -118.1606 -96.0496 760807.6950 -6.5476 -6.3392 PRESSURE: 3347000 -216.208 -80.3915 -130.558 -80.3914 7.46716 -192.863 -130.558 -192.863 -345.353 GPRESSURE: 3347000 -215.898 -238.494 -94.0701 -114.179 60.2722 -180.238 -93.0641 -125.745 -302.44 PRESSAVG: 3347000 50.7409 -17.5319 32.2313 -17.532 21.2991 -29.6138 32.2313 -29.6138 30.0015 GPRESSAVG: 3347000 50.4184 -16.8958 34.2298 -17.9819 22.3294 -27.9845 31.4611 -30.9574 28.7042 TIMING: 3347000 CPU: 10577.3, 0.00317282/step Wall: 10577.3, 0.00317282/step, 1.45685 hours remaining, 238.816406 MB of memory in use. ENERGY: 3347000 4060.9693 20403.2626 14441.5928 237.8108 -203072.5346 2503.5366 0.0000 0.0000 51918.9402 -109506.4223 298.3789 -161425.3625 -109152.0779 299.0408 -184.6979 -152.6888 761483.9211 34.0138 33.8173 PRESSURE: 3347200 57.5847 175.09 -51.4201 175.09 71.1035 194.353 -51.4195 194.353 80.5024 GPRESSURE: 3347200 148.265 124.402 -145.02 215.709 54.8808 207.718 18.0897 266.051 82.7928 PRESSAVG: 3347200 39.5095 14.3152 -3.60391 14.3152 0.488357 23.8331 -3.60389 23.8331 -9.14783 GPRESSAVG: 3347200 40.6359 15.1984 -5.25605 12.7372 -0.71905 21.4316 -1.27786 23.1824 -9.51727 TIMING: 3347200 CPU: 10578, 0.00315982/step Wall: 10578, 0.00315982/step, 1.45071 hours remaining, 238.816406 MB of memory in use. ENERGY: 3347200 3980.5329 20349.2091 14474.1951 259.4807 -203704.1232 2646.5497 0.0000 0.0000 52278.7222 -109715.4335 300.4465 -161994.1557 -109342.1411 299.2011 69.7302 95.3130 761051.3285 10.2833 10.1332 PRESSURE: 3347400 411.445 -200.079 -9.12481 -200.079 -106.475 82.4929 -9.12513 82.4926 -63.4898 GPRESSURE: 3347400 379.155 -182.504 37.4037 -202.41 -3.55767 83.2969 46.4542 87.942 -48.7075 PRESSAVG: 3347400 25.3521 -15.4287 10.3053 -15.4287 -48.5523 39.5575 10.3053 39.5575 34.9901 GPRESSAVG: 3347400 24.0762 -16.3534 11.6215 -14.9381 -46.7452 38.3039 8.4004 41.5621 34.8043 TIMING: 3347400 CPU: 10578.6, 0.00316927/step Wall: 10578.6, 0.00316927/step, 1.45487 hours remaining, 238.816406 MB of memory in use. ENERGY: 3347400 3914.8341 20504.5812 14473.6345 248.4749 -203766.1819 2844.0229 0.0000 0.0000 52061.3244 -109719.3099 299.1971 -161780.6344 -109350.9709 298.7404 80.4934 108.9632 761149.1910 3.9299 4.0451 PRESSURE: 3347600 15.7447 186.738 50.4068 186.738 162.048 -150.101 50.4061 -150.1 335.315 GPRESSURE: 3347600 50.1968 212.93 -83.7336 144.884 184.314 -211.2 142.712 -259.142 336.491 PRESSAVG: 3347600 10.6254 7.01878 -20.9753 7.01876 9.43562 -36.7974 -20.9753 -36.7973 -3.63844 GPRESSAVG: 3347600 10.0124 7.27007 -22.4438 8.45121 8.35014 -35.5494 -21.4711 -38.1012 -3.26277 TIMING: 3347600 CPU: 10579.2, 0.00316058/step Wall: 10579.2, 0.00316058/step, 1.45071 hours remaining, 238.816406 MB of memory in use. ENERGY: 3347600 3952.7420 20481.9735 14494.9845 244.6924 -203621.4104 2736.0405 0.0000 0.0000 52091.4937 -109619.4838 299.3705 -161710.9775 -109263.6332 299.5021 171.0360 190.3340 762484.1782 5.4742 5.0333 PRESSURE: 3347800 -4.99915 15.0523 70.4751 15.0534 78.7211 73.3034 70.4749 73.3035 158.704 GPRESSURE: 3347800 62.1919 187.425 106.338 166.22 101.638 25.4428 16.6716 11.6504 159.826 PRESSAVG: 3347800 -26.3092 -18.2907 36.6827 -18.2906 7.88215 29.9258 36.6826 29.9258 -3.73298 GPRESSAVG: 3347800 -26.1075 -16.7902 38.0236 -18.2944 7.9256 30.5792 35.7117 29.491 -4.02259 TIMING: 3347800 CPU: 10579.8, 0.00316866/step Wall: 10579.8, 0.00316866/step, 1.45424 hours remaining, 238.816406 MB of memory in use. ENERGY: 3347800 4003.6743 20437.6315 14393.3419 264.3196 -203648.9623 2847.1404 0.0000 0.0000 52260.1819 -109442.6726 300.3400 -161702.8545 -109076.1134 298.8457 77.4755 107.8855 762436.7623 -7.3867 -7.4015 PRESSURE: 3348000 -39.0042 14.656 -80.6396 14.656 -293.054 51.1973 -80.6399 51.1977 -79.7719 GPRESSURE: 3348000 -10.6433 -3.54403 -70.1309 -146.685 -213.499 9.44562 -106.433 83.4585 -97.138 PRESSAVG: 3348000 45.9318 -34.8191 11.1418 -34.8191 -90.5176 -5.63362 11.1418 -5.63367 -5.74804 GPRESSAVG: 3348000 46.8189 -36.3215 11.7022 -34.4418 -91.2754 -5.67306 12.0954 -3.12124 -5.77164 TIMING: 3348000 CPU: 10580.5, 0.00316502/step Wall: 10580.5, 0.00316503/step, 1.45239 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3348000 4004.2516 20578.9041 14503.0861 243.5368 -203146.1907 2348.2993 0.0000 0.0000 52021.1547 -109446.9582 298.9663 -161468.1128 -109086.3943 299.3957 -137.2768 -107.0936 761064.1506 -16.7779 -16.7427 PRESSURE: 3348200 33.2649 -77.5398 26.6586 -77.5395 -90.3335 56.2596 26.6585 56.26 -119.481 GPRESSURE: 3348200 102.68 -126.814 -24.0355 -56.2276 -91.6287 26.6436 -183.389 62.1434 -99.0626 PRESSAVG: 3348200 32.6591 -56.5811 23.5949 -56.5811 -51.2425 40.1909 23.5949 40.191 -5.31714 GPRESSAVG: 3348200 32.9362 -56.9504 22.9891 -58.3574 -51.0851 41.7592 22.9787 40.0586 -5.12644 TIMING: 3348200 CPU: 10581.1, 0.00316614/step Wall: 10581.1, 0.00316613/step, 1.45273 hours remaining, 238.816406 MB of memory in use. ENERGY: 3348200 4071.2304 20532.6593 14549.0431 234.3891 -203534.3661 2816.1365 0.0000 0.0000 52032.5676 -109298.3401 299.0319 -161330.9077 -108938.8906 299.6756 -58.8497 -29.3370 761622.2028 -7.9669 -7.7584 LDB: ============= START OF LOAD BALANCING ============== 10593.5 LDB: ============== END OF LOAD BALANCING =============== 10593.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10593.5 LDB: ============= START OF LOAD BALANCING ============== 10593.8 LDB: Largest compute 7068 load 0.033216 is 16.9% of average load 0.196197 LDB: Average compute 0.004366 is 2.2% of average load 0.196197 LDB: TIME 10593.8 LOAD: AVG 0.196197 MAX 0.215225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 10593.8 LOAD: AVG 0.196197 MAX 0.215225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 10593.8 LOAD: AVG 0.196197 MAX 0.215225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10593.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10593.8 PRESSURE: 3348400 298.409 -142.54 -77.7188 -142.54 -152.842 56.8548 -77.7182 56.8553 -136.68 GPRESSURE: 3348400 300.781 -77.9733 -80.514 -249.978 -126.859 35.2246 -203.745 39.4132 -86.4603 PRESSAVG: 3348400 52.9533 -14.5582 9.16482 -14.5583 -49.7703 -11.6906 9.16478 -11.6906 -5.09876 GPRESSAVG: 3348400 51.6314 -13.8466 8.7739 -14.2608 -47.853 -13.1078 9.3608 -12.0554 -6.00881 TIMING: 3348400 CPU: 10581.8, 0.00323491/step Wall: 10581.8, 0.00323491/step, 1.48411 hours remaining, 241.187500 MB of memory in use. ENERGY: 3348400 4020.4041 20597.4250 14442.7797 249.0347 -203129.4553 2355.9543 0.0000 0.0000 52335.7033 -109128.1541 300.7740 -161463.8575 -108766.5381 300.0005 2.9624 29.1539 762260.3487 -0.6386 -0.7434 PRESSURE: 3348600 174.87 -19.6474 -57.6008 -19.6467 251.253 -26.3745 -57.5997 -26.3737 251.104 GPRESSURE: 3348600 238.787 -148.13 -126.13 24.4548 332.196 -29.5877 63.6396 -48.5448 207.191 PRESSAVG: 3348600 24.7445 -25.4792 -3.51316 -25.4792 -19.7419 6.31711 -3.51311 6.31707 21.8576 GPRESSAVG: 3348600 25.082 -25.9498 -5.15943 -23.1121 -20.7781 6.35847 -1.47824 5.69331 22.7948 TIMING: 3348600 CPU: 10582.4, 0.00313824/step Wall: 10582.4, 0.00313824/step, 1.43958 hours remaining, 241.195312 MB of memory in use. ENERGY: 3348600 3964.5068 20468.6310 14504.3407 252.4221 -203407.7122 2830.5690 0.0000 0.0000 52229.8397 -109157.4029 300.1656 -161387.2425 -108790.9590 299.6187 225.7422 259.3912 760781.0597 8.9534 9.0329 PRESSURE: 3348800 88.5457 -22.7449 151.256 -22.7445 228.151 -33.4556 151.255 -33.455 435.16 GPRESSURE: 3348800 100.454 -17.9181 184.461 -7.45718 316.542 -36.0521 196.496 38.4131 414.949 PRESSAVG: 3348800 51.5885 -1.79271 -33.9477 -1.79261 -10.5538 15.6779 -33.9477 15.6778 -9.07154 GPRESSAVG: 3348800 51.8181 -0.145881 -30.6885 -3.65197 -9.45382 15.6599 -33.431 15.0009 -10.1364 TIMING: 3348800 CPU: 10583, 0.00313742/step Wall: 10583, 0.00313742/step, 1.43903 hours remaining, 241.195312 MB of memory in use. ENERGY: 3348800 3974.1157 20683.6112 14460.7839 252.2925 -203677.3641 2955.1495 0.0000 0.0000 52151.3234 -109200.0879 299.7144 -161351.4113 -108843.8159 300.0944 250.6190 277.3150 761257.4402 10.6544 10.7426 PRESSURE: 3349000 261.754 -127.852 -137.865 -127.851 11.1055 164.598 -137.865 164.599 193.014 GPRESSURE: 3349000 281.232 -123.728 -125.343 -92.5836 62.717 61.502 -136.909 241.185 195.564 PRESSAVG: 3349000 2.61166 -27.0063 -7.89386 -27.0064 -6.42181 6.35133 -7.89385 6.35129 -0.629269 GPRESSAVG: 3349000 2.49791 -28.7898 -9.50883 -27.6915 -7.52331 6.67618 -9.02971 7.3433 0.448082 TIMING: 3349000 CPU: 10583.6, 0.00315851/step Wall: 10583.6, 0.00315851/step, 1.44853 hours remaining, 241.195312 MB of memory in use. ENERGY: 3349000 4009.9730 20557.6930 14473.9848 257.5497 -203734.2452 2722.4799 0.0000 0.0000 52426.1039 -109286.4609 301.2935 -161712.5648 -108926.5866 300.1070 155.2914 179.8374 758631.0699 -1.4798 -1.5258 PRESSURE: 3349200 -402.934 -77.2325 154.429 -77.2322 -562.374 128.251 154.429 128.25 -514.897 GPRESSURE: 3349200 -350.214 -63.3982 139.906 -32.3053 -506.204 85.6975 197.854 116.735 -524.946 PRESSAVG: 3349200 9.13138 27.7154 0.016371 27.7153 21.1754 12.4364 0.016346 12.4364 -1.6354 GPRESSAVG: 3349200 8.99086 27.3522 0.281832 28.83 22.5509 12.6169 1.30444 10.6424 -2.8372 TIMING: 3349200 CPU: 10584.3, 0.00317764/step Wall: 10584.3, 0.00317764/step, 1.45712 hours remaining, 241.195312 MB of memory in use. ENERGY: 3349200 4053.0542 20568.5898 14431.4156 267.2165 -203255.4198 2296.9142 0.0000 0.0000 52496.3028 -109141.9268 301.6970 -161638.2295 -108784.1487 300.1962 -493.4017 -460.4546 759354.4745 9.5571 9.5682 PRESSURE: 3349400 -447.753 5.60668 64.0693 5.60611 -173.804 -106.961 64.07 -106.962 -59.7398 GPRESSURE: 3349400 -345.57 23.5399 181.031 11.9073 -162.318 -85.2027 -108.518 15.8463 -79.1498 PRESSAVG: 3349400 15.1655 -19.0568 34.7257 -19.0568 -29.1431 48.6269 34.7257 48.6269 5.7877 GPRESSAVG: 3349400 15.8384 -17.347 34.8208 -19.7686 -30.311 47.0791 32.1125 50.9326 5.86377 TIMING: 3349400 CPU: 10584.9, 0.00316557/step Wall: 10584.9, 0.00316557/step, 1.45141 hours remaining, 241.195312 MB of memory in use. ENERGY: 3349400 4015.8643 20556.1130 14465.4595 254.1960 -203320.0646 2434.5635 0.0000 0.0000 52282.3695 -109311.4989 300.4675 -161593.8683 -108938.5992 300.2163 -227.0990 -195.6794 760223.7964 -2.7300 -2.8696 PRESSURE: 3349600 10.7626 -21.9318 -55.5973 -21.9324 -228.023 -145.795 -55.5978 -145.794 1.30763 GPRESSURE: 3349600 91.2602 -54.9575 -66.6154 -23.4065 -240.06 -73.4744 -53.5073 -228.351 6.83514 PRESSAVG: 3349600 37.2066 16.1884 64.065 16.1884 -52.0076 -8.68922 64.065 -8.68939 0.509199 GPRESSAVG: 3349600 37.0431 14.8451 64.8927 17.4785 -52.1074 -6.39993 66.6025 -9.08023 0.685206 TIMING: 3349600 CPU: 10585.6, 0.00316592/step Wall: 10585.6, 0.00316592/step, 1.4514 hours remaining, 241.195312 MB of memory in use. ENERGY: 3349600 4047.4892 20521.1498 14458.1863 226.0443 -203665.2430 2755.6472 0.0000 0.0000 52257.7918 -109398.9343 300.3262 -161656.7261 -109034.3685 299.9222 -71.9842 -47.3216 759774.9866 -4.7640 -4.7930 PRESSURE: 3349800 -77.7109 -72.4905 0.969689 -72.4913 -387.121 76.8243 0.969692 76.8241 -339.63 GPRESSURE: 3349800 -61.5172 -29.6125 -28.719 -94.5192 -310.85 -130.583 5.36123 49.8697 -337.304 PRESSAVG: 3349800 19.9256 49.1354 -5.88713 49.1354 22.2192 17.5333 -5.8871 17.5333 10.1116 GPRESSAVG: 3349800 19.2084 49.0419 -6.99222 48.4322 21.7083 16.0399 -6.0631 17.6285 10.7345 TIMING: 3349800 CPU: 10586.2, 0.00316599/step Wall: 10586.2, 0.00316599/step, 1.45125 hours remaining, 241.195312 MB of memory in use. ENERGY: 3349800 3957.2163 20464.6774 14419.7719 247.8279 -203159.4335 2245.9234 0.0000 0.0000 52251.7507 -109572.2658 300.2915 -161824.0165 -109190.2558 299.3580 -268.1540 -236.5572 758932.8659 17.4188 17.2171 PRESSURE: 3350000 231.496 74.4434 55.8003 74.4444 123.476 34.4387 55.7994 34.4388 287.24 GPRESSURE: 3350000 284.602 91.1204 -16.17 155.063 186.407 -49.5201 -64.6962 10.0038 256.021 PRESSAVG: 3350000 8.22302 4.89433 -2.23497 4.89439 19.0885 -21.2028 -2.23503 -21.2029 19.7886 GPRESSAVG: 3350000 9.89411 7.51155 -1.78197 4.06096 18.399 -18.8342 -4.02425 -21.7694 18.5831 TIMING: 3350000 CPU: 10586.8, 0.00313011/step Wall: 10586.8, 0.00313011/step, 1.43464 hours remaining, 241.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3350000 3984.0783 20539.4947 14472.7090 249.1668 -203796.0329 2642.0182 0.0000 0.0000 52332.5943 -109575.9714 300.7561 -161908.5657 -109203.2446 299.6806 214.0705 242.3431 757689.1445 15.7000 15.6254 PRESSURE: 3350200 -46.2098 13.2904 0.86942 13.2904 -277.722 -16.1826 0.869704 -16.1831 -179.47 GPRESSURE: 3350200 -122.615 53.5779 -40.0235 -55.4266 -185.658 -46.5226 97.8473 82.8881 -106.531 PRESSAVG: 3350200 3.72556 14.6496 -30.0519 14.6495 -16.3886 -9.7309 -30.0519 -9.73095 -9.07224 GPRESSAVG: 3350200 3.18109 13.4915 -29.572 16.5266 -16.339 -10.3852 -29.7219 -10.0809 -8.16789 TIMING: 3350200 CPU: 10587.4, 0.00313432/step Wall: 10587.4, 0.00313432/step, 1.43639 hours remaining, 241.195312 MB of memory in use. ENERGY: 3350200 4026.0044 20600.5952 14452.7441 262.9407 -203490.6333 2445.0867 0.0000 0.0000 52182.0954 -109521.1668 299.8912 -161703.2622 -109160.7881 299.6491 -167.8004 -138.2678 759837.4958 -7.2451 -7.1086 PRESSURE: 3350400 -192.662 261.285 -56.3083 261.285 -77.8154 177.403 -56.3085 177.402 301.198 GPRESSURE: 3350400 -147.895 236.87 -57.1125 228.974 -35.609 285.893 -17.9265 236.239 284.188 PRESSAVG: 3350400 31.2881 -23.0133 31.4624 -23.0133 -23.2593 -2.35854 31.4624 -2.3585 11.1016 GPRESSAVG: 3350400 31.1905 -23.7773 31.1621 -24.3189 -24.2878 -2.12354 32.9134 -3.16491 12.0815 TIMING: 3350400 CPU: 10588.1, 0.00315891/step Wall: 10588.1, 0.00315891/step, 1.44748 hours remaining, 241.195312 MB of memory in use. ENERGY: 3350400 3882.5112 20538.9679 14435.0814 256.2814 -203324.7192 2429.1709 0.0000 0.0000 52136.6263 -109646.0801 299.6299 -161782.7064 -109279.1676 299.1770 10.2403 33.5615 760949.2883 6.3768 6.3281 PRESSURE: 3350600 -193.02 314.341 -86.4283 314.341 -110.214 -142.51 -86.4295 -142.509 -30.9581 GPRESSURE: 3350600 40.2233 250.976 -66.2608 390.896 -199.381 -139.772 -77.1745 -193.654 -99.1279 PRESSAVG: 3350600 34.8764 69.3989 -9.63964 69.3989 -8.63497 58.4225 -9.63961 58.4226 18.0297 GPRESSAVG: 3350600 35.9577 67.803 -9.26613 70.9018 -7.89277 58.4217 -9.85759 59.4749 16.2733 TIMING: 3350600 CPU: 10588.7, 0.00314997/step Wall: 10588.7, 0.00314997/step, 1.44321 hours remaining, 241.195312 MB of memory in use. ENERGY: 3350600 3993.0314 20646.1729 14520.0609 249.0272 -203044.2532 2268.2578 0.0000 0.0000 51891.4857 -109476.2173 298.2211 -161367.7030 -109107.9035 299.5724 -111.3975 -86.0953 760319.6545 14.7571 14.7794 PRESSURE: 3350800 -15.1355 -74.5204 -69.7211 -74.5201 -237.797 90.2253 -69.7203 90.2261 -345.968 GPRESSURE: 3350800 10.5739 -61.5925 -115.374 -41.128 -203.729 78.4474 -61.6459 207.375 -306.206 PRESSAVG: 3350800 -3.39408 -19.7914 39.4874 -19.7915 -8.1594 9.85994 39.4873 9.85981 0.967112 GPRESSAVG: 3350800 -4.2046 -15.7206 39.0104 -21.5048 -7.81224 10.3146 39.1459 9.84042 0.366849 TIMING: 3350800 CPU: 10589.3, 0.00316882/step Wall: 10589.3, 0.00316882/step, 1.45167 hours remaining, 241.195312 MB of memory in use. ENERGY: 3350800 4062.8414 20569.6797 14528.7183 259.7283 -203615.2554 2601.2467 0.0000 0.0000 52106.0782 -109486.9627 299.4543 -161593.0410 -109125.4664 299.2427 -199.6337 -166.4539 759841.5942 -3.5288 -3.8833 PRESSURE: 3351000 -348.855 -104.519 -30.5964 -104.52 -151.752 53.5577 -30.5977 53.5582 -171.678 GPRESSURE: 3351000 -267.753 -265.978 -76.3632 -180.604 -58.9845 20.4594 -17.4462 118.556 -251.266 PRESSAVG: 3351000 21.1524 -13.2757 9.55557 -13.2757 10.0655 64.0671 9.55563 64.0671 -16.721 GPRESSAVG: 3351000 20.1299 -16.3877 9.30827 -13.6775 10.759 62.9339 8.66405 66.1475 -15.9205 TIMING: 3351000 CPU: 10590, 0.003157/step Wall: 10590, 0.003157/step, 1.44608 hours remaining, 241.195312 MB of memory in use. ENERGY: 3351000 4030.5592 20524.3105 14514.7607 241.2754 -203125.2702 2385.5544 0.0000 0.0000 52130.5337 -109298.2764 299.5949 -161428.8101 -108939.0645 299.4790 -224.0948 -192.6676 760552.8872 4.8323 4.9895 PRESSURE: 3351200 14.5229 -94.0517 137.828 -94.0522 -153.453 -201.331 137.827 -201.332 -280.508 GPRESSURE: 3351200 111.675 -187.527 57.8742 -11.1157 -128.895 -206.491 100.269 -141.345 -301.894 PRESSAVG: 3351200 2.92197 -32.5893 31.7795 -32.5893 -20.6032 8.67691 31.7794 8.67687 -6.10286 GPRESSAVG: 3351200 4.26156 -32.3698 31.8163 -31.5817 -22.1765 8.95097 31.077 7.8968 -6.3739 TIMING: 3351200 CPU: 10590.6, 0.00315348/step Wall: 10590.6, 0.00315348/step, 1.44429 hours remaining, 241.195312 MB of memory in use. ENERGY: 3351200 4019.9012 20581.8155 14495.6749 232.4534 -203128.4744 2636.6460 0.0000 0.0000 51797.2503 -109364.7329 297.6795 -161161.9832 -109005.5645 299.5945 -139.8126 -106.3717 762189.5085 -7.9280 -8.0963 PRESSURE: 3351400 25.3353 83.5321 215.383 83.5321 -462.765 57.6892 215.383 57.6885 -41.0788 GPRESSURE: 3351400 43.8049 85.7276 223.086 7.56264 -361.995 100.331 67.5934 -25.7651 -73.7957 PRESSAVG: 3351400 14.1892 -16.8535 54.6244 -16.8535 24.6244 -19.1667 54.6243 -19.1667 7.68569 GPRESSAVG: 3351400 14.5909 -15.7221 55.6809 -18.8371 25.2016 -17.8199 54.6755 -19.9803 6.85978 TIMING: 3351400 CPU: 10591.2, 0.0031292/step Wall: 10591.2, 0.0031292/step, 1.433 hours remaining, 241.195312 MB of memory in use. ENERGY: 3351400 4050.4417 20553.8636 14460.2753 243.1483 -203439.8442 2602.4540 0.0000 0.0000 51963.3778 -109566.2835 298.6342 -161529.6614 -109207.7009 299.2642 -159.5028 -130.6619 759736.9059 15.4998 15.5508 PRESSURE: 3351600 -344.443 -64.5788 148.724 -64.5779 -51.2962 -34.2388 148.725 -34.2393 -96.9371 GPRESSURE: 3351600 -279.266 -201.383 109.837 -20.4546 -47.6617 -38.9004 156.394 -126.86 -81.1822 PRESSAVG: 3351600 34.2772 -37.1884 16.5085 -37.1884 -57.5193 0.177174 16.5085 0.17717 -15.72 GPRESSAVG: 3351600 34.8962 -37.5097 15.5567 -36.8401 -57.9795 -2.61497 17.3573 1.12725 -15.6539 TIMING: 3351600 CPU: 10591.9, 0.00314379/step Wall: 10591.9, 0.00314379/step, 1.43951 hours remaining, 241.195312 MB of memory in use. ENERGY: 3351600 4012.1449 20392.8790 14501.0880 243.9743 -203275.3070 2673.5110 0.0000 0.0000 51802.0016 -109649.7083 297.7068 -161451.7099 -109286.5476 298.8134 -164.2255 -136.0367 762427.3810 -12.9874 -12.9124 PRESSURE: 3351800 -172.642 157.924 -112.15 157.924 -377.391 -51.4232 -112.15 -51.424 163.06 GPRESSURE: 3351800 -144.319 52.5908 -198.487 240.142 -295.386 -49.4309 -100.477 55.2691 150.005 PRESSAVG: 3351800 -16.4989 8.66833 19.6415 8.66837 28.913 -13.2535 19.6415 -13.2535 -17.8254 GPRESSAVG: 3351800 -16.5998 6.6165 19.8486 11.6523 29.7772 -11.9148 19.6436 -13.5758 -18.5097 TIMING: 3351800 CPU: 10592.5, 0.00314965/step Wall: 10592.5, 0.00314965/step, 1.44202 hours remaining, 241.195312 MB of memory in use. ENERGY: 3351800 3930.3110 20461.2938 14472.0257 242.2435 -203092.5385 2528.7291 0.0000 0.0000 52006.9541 -109450.9812 298.8847 -161457.9353 -109081.8070 299.3147 -128.9910 -96.5669 762615.9708 -1.8038 -1.7774 PRESSURE: 3352000 -230.196 103.169 32.5713 103.169 -210.037 4.78891 32.571 4.78935 329.139 GPRESSURE: 3352000 -128.941 8.83611 10.7788 -21.1471 -282.688 -7.31062 4.52528 65.1018 394.795 PRESSAVG: 3352000 69.5141 -17.0153 54.321 -17.0153 -52.563 16.482 54.3209 16.482 2.70397 GPRESSAVG: 3352000 69.3895 -14.9422 53.8008 -19.5991 -52.7512 15.7672 55.6485 16.4405 3.14071 TIMING: 3352000 CPU: 10593.1, 0.00316649/step Wall: 10593.1, 0.00316649/step, 1.44955 hours remaining, 241.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3352000 3954.8433 20488.8649 14428.3171 243.0909 -203284.5633 2655.5720 0.0000 0.0000 52099.2237 -109414.6513 299.4150 -161513.8750 -109054.2922 299.1101 -37.0312 -5.6111 761503.8832 6.5517 6.5930 PRESSURE: 3352200 -186.654 -26.0238 43.2685 -26.0237 -257.684 -26.9087 43.2682 -26.9099 -75.0575 GPRESSURE: 3352200 -147.843 -34.621 67.9578 -40.115 -201.405 69.3066 1.9421 -115.104 -82.9279 PRESSAVG: 3352200 52.9097 -12.5801 13.2359 -12.5801 -19.2531 25.1686 13.2359 25.1686 10.7843 GPRESSAVG: 3352200 53.1537 -11.8277 11.5026 -12.8176 -19.5324 24.5267 11.9308 24.9629 10.4968 TIMING: 3352200 CPU: 10593.7, 0.00315806/step Wall: 10593.7, 0.00315806/step, 1.44552 hours remaining, 241.195312 MB of memory in use. ENERGY: 3352200 3922.7464 20663.9379 14552.8215 229.4858 -202992.1663 2304.5895 0.0000 0.0000 52005.1996 -109313.3855 298.8746 -161318.5852 -108955.4869 299.2786 -173.1317 -144.0587 761110.8206 14.8136 14.7060 LDB: ============= START OF LOAD BALANCING ============== 10606.1 LDB: ============== END OF LOAD BALANCING =============== 10606.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10606.1 LDB: ============= START OF LOAD BALANCING ============== 10606.5 LDB: Largest compute 7068 load 0.034343 is 17.5% of average load 0.196053 LDB: Average compute 0.004367 is 2.2% of average load 0.196053 LDB: TIME 10606.5 LOAD: AVG 0.196053 MAX 0.214693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 10606.5 LOAD: AVG 0.196053 MAX 0.214693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: TIME 10606.5 LOAD: AVG 0.196053 MAX 0.214693 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10606.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10606.5 PRESSURE: 3352400 -39.8498 -41.4111 209.179 -41.4105 67.7345 175.058 209.18 175.059 -157.616 GPRESSURE: 3352400 -6.65968 -5.50954 229.951 5.33601 96.5195 206.801 98.4855 250.889 -129.619 PRESSAVG: 3352400 -2.39602 -14.6273 56.3324 -14.6274 -2.97642 56.1673 56.3324 56.1673 -6.80134 GPRESSAVG: 3352400 -2.02852 -16.1748 58.8269 -12.0175 -3.1503 57.4236 56.842 56.5582 -7.08628 TIMING: 3352400 CPU: 10594.4, 0.00321348/step Wall: 10594.4, 0.00321348/step, 1.4707 hours remaining, 238.664062 MB of memory in use. ENERGY: 3352400 4012.9991 20609.8922 14474.2631 251.1287 -203478.9685 2573.1630 0.0000 0.0000 52206.9636 -109350.5590 300.0341 -161557.5225 -108995.3613 299.8449 -43.2436 -13.2532 762331.1459 -4.0579 -4.0884 PRESSURE: 3352600 -235.925 -263.317 -230.379 -263.318 -11.8595 -70.782 -230.378 -70.782 228.083 GPRESSURE: 3352600 -180.884 -176.39 -277.041 -156.22 25.373 68.6288 -218.736 -146.485 236.26 PRESSAVG: 3352600 -20.1904 -64.1597 -16.128 -64.1596 43.0118 -40.3881 -16.1279 -40.3882 2.92729 GPRESSAVG: 3352600 -22.0921 -64.5239 -15.9882 -65.0581 43.9567 -40.1085 -16.7275 -40.7132 4.17877 TIMING: 3352600 CPU: 10595, 0.0031712/step Wall: 10595, 0.0031712/step, 1.45118 hours remaining, 238.867188 MB of memory in use. ENERGY: 3352600 4039.0032 20598.6309 14489.5300 242.1422 -203443.8298 2583.5792 0.0000 0.0000 52242.3061 -109248.6381 300.2373 -161490.9443 -108877.0850 300.1330 -6.5672 26.9162 760878.6531 8.5829 8.6811 PRESSURE: 3352800 -527.998 20.9728 124.01 20.9738 -163.592 83.2722 124.01 83.2717 -548.812 GPRESSURE: 3352800 -552.166 -8.15974 69.3088 120.356 -123.921 46.9869 18.454 62.3018 -489.569 PRESSAVG: 3352800 3.04854 -15.4122 -19.9632 -15.4121 46.6369 0.590164 -19.9633 0.590242 -12.8279 GPRESSAVG: 3352800 3.22956 -13.5007 -21.2493 -16.0004 46.6731 -0.21635 -20.6064 0.211385 -13.3945 TIMING: 3352800 CPU: 10595.7, 0.00315282/step Wall: 10595.7, 0.00315282/step, 1.44259 hours remaining, 238.867188 MB of memory in use. ENERGY: 3352800 4058.7891 20568.8124 14502.1022 266.1717 -202856.2612 2083.2465 0.0000 0.0000 52071.5426 -109305.5968 299.2559 -161377.1393 -108939.2394 300.4134 -413.4676 -388.5521 762206.9658 12.2859 12.1694 PRESSURE: 3353000 -249.176 -43.1305 9.35891 -43.1305 -114.423 132.939 9.3585 132.939 14.1559 GPRESSURE: 3353000 -226.727 0.591721 -70.0018 -50.7762 -78.1526 216.378 49.2247 166.123 22.1198 PRESSAVG: 3353000 32.3381 20.947 -0.136114 20.947 -38.1201 -35.4016 -0.136184 -35.4016 28.2023 GPRESSAVG: 3353000 32.8485 20.2964 -0.258748 21.3441 -37.6779 -35.1029 1.23089 -35.9999 27.5443 TIMING: 3353000 CPU: 10596.3, 0.00315332/step Wall: 10596.3, 0.00315332/step, 1.44264 hours remaining, 238.867188 MB of memory in use. ENERGY: 3353000 4001.5940 20602.2020 14426.4634 247.7486 -203193.5816 2466.1666 0.0000 0.0000 52263.2969 -109186.1102 300.3579 -161449.4070 -108814.5243 299.9736 -116.4812 -94.2533 762670.6477 7.4734 7.5716 PRESSURE: 3353200 117.177 273.729 69.5972 273.728 -92.8786 90.2236 69.5972 90.2234 227.537 GPRESSURE: 3353200 148.61 317.361 129.322 143.461 -79.4464 30.8105 32.0785 90.5885 259.249 PRESSAVG: 3353200 56.8621 14.8609 3.40309 14.8608 -71.8232 -38.2798 3.40309 -38.2797 3.73543 GPRESSAVG: 3353200 56.9488 15.114 3.94515 14.2621 -71.5471 -38.6538 4.61166 -35.5064 3.35568 TIMING: 3353200 CPU: 10596.9, 0.00314666/step Wall: 10596.9, 0.00314666/step, 1.43942 hours remaining, 238.867188 MB of memory in use. ENERGY: 3353200 3934.5048 20470.6142 14510.4362 248.5278 -203442.9187 2772.5235 0.0000 0.0000 52139.8428 -109366.4693 299.6484 -161506.3122 -108989.9928 299.9930 83.9453 109.4709 763789.8733 -3.7419 -3.7476 PRESSURE: 3353400 266.107 195.518 -43.8039 195.519 -76.0731 103.27 -43.8036 103.271 167.471 GPRESSURE: 3353400 343.564 197.178 -31.5027 127.609 -20.7168 49.0696 -34.6285 56.6206 117.96 PRESSAVG: 3353400 68.5409 34.4735 23.6876 34.4735 -72.8972 17.1489 23.6876 17.1488 0.365853 GPRESSAVG: 3353400 68.7144 34.002 23.033 33.3436 -72.3401 18.2925 21.9121 13.4972 0.327802 TIMING: 3353400 CPU: 10597.6, 0.00318937/step Wall: 10597.6, 0.00318937/step, 1.45878 hours remaining, 238.867188 MB of memory in use. ENERGY: 3353400 4029.1974 20582.2328 14440.9676 250.0981 -203519.8002 2632.8930 0.0000 0.0000 52237.0131 -109347.3982 300.2068 -161584.4113 -108984.2213 299.8875 119.1683 146.9356 761214.7835 -1.3302 -1.0993 PRESSURE: 3353600 160.847 -210.282 223.682 -210.283 -543.475 -7.06756 223.682 -7.06856 -98.7207 GPRESSURE: 3353600 115.874 -208.857 204.308 -188.879 -458.925 -113.498 271.91 109.119 -63.0598 PRESSAVG: 3353600 37.5207 -22.1104 -3.30762 -22.1104 -26.5362 -5.27445 -3.3077 -5.27445 -38.1127 GPRESSAVG: 3353600 36.8878 -20.4999 -3.69758 -20.4475 -27.7105 -6.14307 -1.69749 -2.81438 -36.4454 TIMING: 3353600 CPU: 10598.2, 0.00318697/step Wall: 10598.2, 0.00318697/step, 1.45751 hours remaining, 238.867188 MB of memory in use. ENERGY: 3353600 4070.8531 20469.4752 14506.0173 240.1744 -203650.8897 2801.2969 0.0000 0.0000 52039.1874 -109523.8853 299.0699 -161563.0727 -109164.6372 299.9235 -160.4496 -135.3702 761168.0909 -9.0427 -9.0894 PRESSURE: 3353800 -12.246 34.8666 19.4859 34.8672 142.404 -63.7308 19.4858 -63.7305 82.0579 GPRESSURE: 3353800 -65.756 159.191 50.9225 75.2758 264.097 -123.556 106.391 86.2865 101.723 PRESSAVG: 3353800 -16.3465 -18.8007 25.3561 -18.8007 -24.1022 -72.5541 25.3561 -72.5541 3.83802 GPRESSAVG: 3353800 -15.8176 -20.2891 27.423 -19.2221 -23.1209 -73.351 24.7654 -73.8133 2.84041 TIMING: 3353800 CPU: 10598.8, 0.00316675/step Wall: 10598.8, 0.00316675/step, 1.44808 hours remaining, 238.867188 MB of memory in use. ENERGY: 3353800 3986.4813 20564.8248 14451.1024 263.2401 -204091.8488 3029.7547 0.0000 0.0000 52034.5701 -109761.8754 299.0434 -161796.4455 -109392.6621 299.0925 70.7385 100.0214 759714.2940 -12.2036 -12.0327 PRESSURE: 3354000 12.3228 -340.928 44.9304 -340.928 130.105 -4.65404 44.9304 -4.65425 -450.733 GPRESSURE: 3354000 86.0003 -228.553 111.173 -332.274 134.097 -28.8417 -77.612 -90.0344 -460.237 PRESSAVG: 3354000 -20.1839 -39.4305 24.7932 -39.4305 23.9637 10.5856 24.7932 10.5857 -0.396866 GPRESSAVG: 3354000 -20.1077 -39.9159 22.5881 -41.8245 23.2832 12.9958 23.172 9.55081 0.370539 TIMING: 3354000 CPU: 10599.5, 0.00314863/step Wall: 10599.5, 0.00314863/step, 1.43962 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3354000 4030.8184 20566.9247 14549.0107 246.3347 -204062.2189 2759.3979 0.0000 0.0000 52298.6688 -109611.0638 300.5612 -161909.7327 -109254.8958 298.9712 -102.7685 -80.0468 759264.7441 1.1276 1.1820 PRESSURE: 3354200 425.558 -60.4114 -139.867 -60.4107 2.67341 -27.374 -139.867 -27.3739 -248.013 GPRESSURE: 3354200 487.129 -187.393 -99.5467 -0.329257 -27.6718 -38.4673 -169.893 84.9819 -188.696 PRESSAVG: 3354200 56.9688 -43.7247 1.33678 -43.7247 -38.369 6.37469 1.33678 6.37464 12.1891 GPRESSAVG: 3354200 56.6547 -44.2259 2.52066 -40.576 -38.333 7.37862 1.71547 5.39184 11.9455 TIMING: 3354200 CPU: 10600.1, 0.00314142/step Wall: 10600.1, 0.00314142/step, 1.43615 hours remaining, 238.867188 MB of memory in use. ENERGY: 3354200 3922.9939 20494.0155 14405.6902 234.0897 -203532.2318 2755.5433 0.0000 0.0000 52021.0438 -109698.8553 298.9657 -161719.8992 -109344.5904 299.1129 60.0729 90.2537 760478.7232 10.2630 10.0891 PRESSURE: 3354400 -130.287 -28.6283 -53.1986 -28.6288 -102.8 228.642 -53.1985 228.641 -30.3709 GPRESSURE: 3354400 -24.0778 100.168 -61.544 25.0537 -109.949 216.146 -10.8245 325.446 -38.0559 PRESSAVG: 3354400 35.1018 -21.8986 46.2252 -21.8985 0.788136 17.4175 46.2253 17.4176 33.0485 GPRESSAVG: 3354400 34.6519 -21.2839 45.2292 -24.2847 0.788513 15.1669 46.4069 19.1717 33.7453 TIMING: 3354400 CPU: 10600.7, 0.00314414/step Wall: 10600.7, 0.00314414/step, 1.43722 hours remaining, 238.867188 MB of memory in use. ENERGY: 3354400 3970.9634 20463.8281 14440.9915 245.1993 -203446.0596 2757.6038 0.0000 0.0000 52178.4139 -109389.0596 299.8701 -161567.4735 -109023.2484 299.5176 -87.8196 -57.3609 761301.9675 22.9795 23.0619 PRESSURE: 3354600 246.177 0.255224 163.391 0.255459 -110.759 -2.12587 163.392 -2.12597 62.2908 GPRESSURE: 3354600 214.144 68.5287 171.294 47.067 6.06937 -66.8786 9.15958 96.8501 66.548 PRESSAVG: 3354600 55.5041 -11.8534 25.9432 -11.8534 -76.8265 0.30665 25.9431 0.306641 -6.35172 GPRESSAVG: 3354600 55.6056 -10.5109 26.5534 -11.8868 -76.912 0.494256 26.5071 1.5277 -6.85176 TIMING: 3354600 CPU: 10601.3, 0.00314935/step Wall: 10601.3, 0.00314935/step, 1.43943 hours remaining, 238.867188 MB of memory in use. ENERGY: 3354600 3945.7851 20513.6141 14463.0106 239.4411 -203135.8314 2610.1211 0.0000 0.0000 51923.0514 -109440.8080 298.4025 -161363.8594 -109078.5110 299.4404 65.9029 95.5871 760925.3126 -9.2247 -9.3860 PRESSURE: 3354800 148.998 -51.3935 -167.397 -51.3942 -27.2179 45.0606 -167.396 45.0605 -197.584 GPRESSURE: 3354800 69.7647 -181.464 -136 -58.4637 120.44 21.7175 -272.073 -69.4157 -199.148 PRESSAVG: 3354800 67.6856 -63.0436 7.26426 -63.0436 -63.1526 6.97093 7.26427 6.97092 11.5431 GPRESSAVG: 3354800 67.9956 -62.3931 9.7183 -64.7087 -63.1607 7.24485 5.45158 4.91593 10.9745 TIMING: 3354800 CPU: 10602, 0.00315819/step Wall: 10602, 0.00315819/step, 1.44329 hours remaining, 238.867188 MB of memory in use. ENERGY: 3354800 4034.6231 20468.8319 14469.0050 244.0353 -203300.4349 2512.8124 0.0000 0.0000 52370.6719 -109200.4554 300.9750 -161571.1273 -108836.7384 299.5309 -25.2677 -2.9812 760535.2791 5.3587 5.2698 PRESSURE: 3355000 130.84 252.582 163.842 252.582 -733.279 231.22 163.84 231.218 -192.576 GPRESSURE: 3355000 74.3023 173.362 166.67 220.99 -607.572 275.841 128.815 177.54 -173.863 PRESSAVG: 3355000 33.4016 -8.7613 45.2718 -8.76139 -96.6378 43.0463 45.2718 43.0461 5.24524 GPRESSAVG: 3355000 32.8327 -10.868 43.7996 -6.58295 -96.2487 42.1961 45.4182 43.7165 5.63193 TIMING: 3355000 CPU: 10602.6, 0.00314777/step Wall: 10602.6, 0.00314777/step, 1.43835 hours remaining, 238.867188 MB of memory in use. ENERGY: 3355000 4039.1475 20426.8777 14520.9716 247.5668 -202849.0783 2394.7985 0.0000 0.0000 51871.7920 -109347.9241 298.1079 -161219.7161 -108988.3056 299.2666 -265.0049 -235.7108 762534.2012 -19.3303 -19.2614 PRESSURE: 3355200 -5.43252 143.432 405.846 143.433 -247.85 -233.958 405.845 -233.958 46.2939 GPRESSURE: 3355200 62.1966 173.169 415.776 102.108 -206.384 -236.329 399.415 -242.702 0.771971 PRESSAVG: 3355200 23.4779 -19.2348 10.6757 -19.2347 -64.19 -21.2012 10.6756 -21.2011 18.3518 GPRESSAVG: 3355200 23.6323 -17.2345 10.3546 -20.5412 -63.5875 -20.9656 10.8765 -20.6223 16.9702 TIMING: 3355200 CPU: 10603.2, 0.00313596/step Wall: 10603.2, 0.00313596/step, 1.43279 hours remaining, 238.867188 MB of memory in use. ENERGY: 3355200 3928.7020 20549.7689 14447.4925 234.5806 -203231.7164 2572.4851 0.0000 0.0000 52031.2073 -109467.4799 299.0241 -161498.6872 -109107.0777 298.8540 -68.9963 -47.8052 760825.3282 -7.4534 -7.6617 PRESSURE: 3355400 1.79331 107.71 166.807 107.71 -172.663 -45.2921 166.808 -45.2921 107.009 GPRESSURE: 3355400 18.5677 132.05 81.1378 8.78161 -117.68 -53.2563 94.7382 42.125 133.1 PRESSAVG: 3355400 24.8913 -13.9012 31.8626 -13.9013 -19.6173 18.8988 31.8626 18.8988 -37.2428 GPRESSAVG: 3355400 25.9043 -14.1409 30.1914 -14.1862 -21.8678 19.85 33.4164 17.4106 -35.7401 TIMING: 3355400 CPU: 10603.9, 0.00312415/step Wall: 10603.9, 0.00312415/step, 1.42722 hours remaining, 238.867188 MB of memory in use. ENERGY: 3355400 3956.2534 20643.0293 14444.3724 236.8340 -203090.3529 2393.7956 0.0000 0.0000 51900.6276 -109515.4406 298.2736 -161416.0682 -109151.9814 298.5461 -21.2871 11.3294 759071.8078 -10.6563 -10.5679 PRESSURE: 3355600 334.143 83.5979 76.158 83.5975 -152.48 242.02 76.1572 242.02 17.9205 GPRESSURE: 3355600 289.96 128.039 -19.6552 115.114 -47.7533 167.726 131.379 264.825 36.2964 PRESSAVG: 3355600 11.8395 -25.8455 24.6244 -25.8454 13.4095 37.2911 24.6244 37.291 6.38283 GPRESSAVG: 3355600 12.0262 -27.3672 25.3582 -26.57 14.7706 36.7723 22.8305 38.2367 4.92695 TIMING: 3355600 CPU: 10604.5, 0.00316008/step Wall: 10604.5, 0.00316008/step, 1.44345 hours remaining, 238.867188 MB of memory in use. ENERGY: 3355600 3930.0114 20510.8542 14413.1091 250.7414 -203475.2331 2727.7754 0.0000 0.0000 52107.0733 -109535.6683 299.4601 -161642.7416 -109177.2838 298.9769 66.5279 92.8343 760601.8271 10.5440 10.5746 PRESSURE: 3355800 47.9955 85.5499 166.077 85.5499 2.88567 34.5511 166.077 34.5502 166.286 GPRESSURE: 3355800 195.269 -3.54564 187.866 91.4735 -57.0631 -44.6712 84.4356 -46.2546 192.478 PRESSAVG: 3355800 18.7508 -41.4382 1.51116 -41.4382 9.44366 15.061 1.51113 15.061 -8.13493 GPRESSAVG: 3355800 17.7975 -40.3836 2.6384 -42.8438 9.35276 16.0912 2.60863 13.058 -7.54226 TIMING: 3355800 CPU: 10605.1, 0.00312218/step Wall: 10605.1, 0.00312218/step, 1.42597 hours remaining, 238.867188 MB of memory in use. ENERGY: 3355800 3907.8337 20418.9597 14404.2834 275.2138 -203520.0830 2690.6740 0.0000 0.0000 52304.2502 -109518.8683 300.5932 -161823.1185 -109147.9940 299.2240 72.3890 110.2279 759861.6435 6.6865 6.5360 PRESSURE: 3356000 106.055 -202.504 -118.866 -202.504 -84.0362 -1.74939 -118.866 -1.74993 173.905 GPRESSURE: 3356000 158.448 -196.967 -157.579 -155.76 21.0676 -8.25564 -98.9826 22.7287 116.301 PRESSAVG: 3356000 15.2745 -40.3853 -71.3408 -40.3854 35.6391 4.38209 -71.3408 4.38208 2.34046 GPRESSAVG: 3356000 15.9893 -41.1278 -71.2802 -38.5163 35.119 2.23631 -70.8186 7.43147 2.2897 TIMING: 3356000 CPU: 10605.7, 0.00313392/step Wall: 10605.7, 0.00313391/step, 1.43115 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3356000 3894.0307 20524.9259 14446.4409 263.3304 -203204.6226 2472.6714 0.0000 0.0000 52288.6509 -109314.5724 300.5036 -161603.2233 -108945.4399 299.7948 65.3077 98.6056 759578.2435 17.7514 17.7993 PRESSURE: 3356200 125.004 -123.864 62.5748 -123.864 409.155 276.304 62.5741 276.306 25.4138 GPRESSURE: 3356200 164.811 -149.393 57.6588 -241.701 364.007 247.202 62.3424 271.806 110.317 PRESSAVG: 3356200 -2.35061 -36.8297 -8.41395 -36.8296 -2.24237 -15.6447 -8.41394 -15.6447 -11.1958 GPRESSAVG: 3356200 -3.66955 -37.659 -10.8123 -37.3601 -2.3366 -12.5977 -8.87673 -17.153 -10.5586 TIMING: 3356200 CPU: 10606.4, 0.00312912/step Wall: 10606.4, 0.00312912/step, 1.42879 hours remaining, 238.867188 MB of memory in use. ENERGY: 3356200 3934.0120 20518.1489 14424.8092 235.1925 -203266.3980 2520.6432 0.0000 0.0000 52315.5257 -109318.0665 300.6580 -161633.5922 -108957.3643 299.7628 186.5243 213.0452 760701.3789 -5.2629 -5.5216 LDB: ============= START OF LOAD BALANCING ============== 10618.8 LDB: ============== END OF LOAD BALANCING =============== 10618.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10618.8 LDB: ============= START OF LOAD BALANCING ============== 10619.1 LDB: Largest compute 7068 load 0.032147 is 16.4% of average load 0.196171 LDB: Average compute 0.004367 is 2.2% of average load 0.196171 LDB: TIME 10619.1 LOAD: AVG 0.196171 MAX 0.219157 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 10619.1 LOAD: AVG 0.196171 MAX 0.219157 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 10619.1 LOAD: AVG 0.196171 MAX 0.218834 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 10619.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10619.1 PRESSURE: 3356400 324.99 -14.7955 -36.9809 -14.7954 106.949 -50.2185 -36.9816 -50.2183 341.461 GPRESSURE: 3356400 366.935 3.23255 -100.816 -92.8559 124.693 -12.6584 67.0983 -21.8854 362.777 PRESSAVG: 3356400 5.42843 -9.34958 14.3094 -9.34951 -22.8211 35.7299 14.3095 35.7298 15.7178 GPRESSAVG: 3356400 6.09059 -9.1381 15.8587 -10.8861 -22.7574 32.7279 16.0202 38.0122 14.8045 TIMING: 3356400 CPU: 10607, 0.00321056/step Wall: 10607, 0.00321056/step, 1.4658 hours remaining, 237.960938 MB of memory in use. ENERGY: 3356400 3945.9729 20452.0093 14473.2060 245.5645 -203276.6100 2813.5277 0.0000 0.0000 52252.4038 -109093.9257 300.2953 -161346.3295 -108730.8908 299.8961 257.8002 284.8017 760444.1603 -0.5583 -0.6207 PRESSURE: 3356600 -177.099 -143.304 -109.975 -143.304 -280.155 186.403 -109.975 186.404 -260.969 GPRESSURE: 3356600 -32.7672 -143.698 -44.7527 -169.179 -302.409 156.938 -77.7648 202.567 -295.532 PRESSAVG: 3356600 -20.0356 -24.7928 -8.6739 -24.7928 16.4416 16.4654 -8.67389 16.4655 -8.70798 GPRESSAVG: 3356600 -20.6307 -25.7996 -10.5018 -22.6624 16.7191 16.8641 -9.27506 15.4032 -8.69503 TIMING: 3356600 CPU: 10607.6, 0.00311409/step Wall: 10607.6, 0.00311409/step, 1.42158 hours remaining, 237.960938 MB of memory in use. ENERGY: 3356600 4013.3212 20471.3998 14436.5324 257.8985 -202826.2453 2191.3582 0.0000 0.0000 52320.5747 -109135.1606 300.6871 -161455.7353 -108781.4957 299.7555 -239.4075 -210.2362 762258.5156 -4.1007 -4.2022 PRESSURE: 3356800 218.296 182.547 -158.866 182.547 211.686 353.213 -158.866 353.212 212.621 GPRESSURE: 3356800 232.114 95.3031 -104.495 125.378 204.611 315.357 -300.666 372.607 287.933 PRESSAVG: 3356800 19.018 -49.5661 -46.2244 -49.5661 -30.1148 9.25981 -46.2244 9.25976 41.2722 GPRESSAVG: 3356800 19.3527 -49.4567 -44.6912 -48.1307 -30.6834 10.7546 -47.2536 8.84854 41.4402 TIMING: 3356800 CPU: 10608.3, 0.00313289/step Wall: 10608.3, 0.00313289/step, 1.42999 hours remaining, 237.960938 MB of memory in use. ENERGY: 3356800 4003.8364 20476.7840 14437.2548 247.8846 -203100.1274 2649.6660 0.0000 0.0000 52103.9406 -109180.7612 299.4421 -161284.7017 -108823.0564 299.7224 214.2013 241.5527 762248.0411 10.0585 10.0365 PRESSURE: 3357000 -67.6352 -95.7997 101.671 -95.801 -132.444 101.233 101.671 101.234 -318.219 GPRESSURE: 3357000 -71.5734 -79.1401 110.21 -139.794 -140.555 182.568 -1.77224 -46.5538 -209.176 PRESSAVG: 3357000 42.5062 -8.35794 -18.2928 -8.35798 -13.71 21.417 -18.2928 21.417 -23.2783 GPRESSAVG: 3357000 41.63 -6.53175 -19.9417 -8.45133 -13.0785 22.347 -16.6935 21.9162 -22.7715 TIMING: 3357000 CPU: 10608.9, 0.0031359/step Wall: 10608.9, 0.0031359/step, 1.43119 hours remaining, 237.960938 MB of memory in use. ENERGY: 3357000 3940.3099 20586.4744 14379.2331 236.6358 -203079.6086 2463.3195 0.0000 0.0000 52211.9841 -109261.6518 300.0630 -161473.6360 -108906.6830 300.0253 -172.7663 -140.4349 763155.9676 1.8393 1.9267 PRESSURE: 3357200 -192.992 58.6261 -180.787 58.6259 -323.219 -186.528 -180.787 -186.528 -36.4407 GPRESSURE: 3357200 -110.372 107.36 -264.569 19.0993 -220.408 -148.341 -149.449 -127.996 -106.047 PRESSAVG: 3357200 -9.80874 28.2247 -43.9594 28.2247 19.4618 -50.965 -43.9594 -50.965 -34.9171 GPRESSAVG: 3357200 -8.38019 28.3368 -42.4021 26.4223 20.3531 -52.5142 -44.2832 -50.8387 -36.5593 TIMING: 3357200 CPU: 10609.5, 0.00313318/step Wall: 10609.5, 0.00313318/step, 1.42977 hours remaining, 237.960938 MB of memory in use. ENERGY: 3357200 3981.3295 20367.9431 14438.5567 232.9334 -202724.3395 2297.1653 0.0000 0.0000 52459.7862 -108946.6253 301.4871 -161406.4115 -108576.6571 299.9315 -184.2172 -145.6091 761122.5382 -8.4213 -8.1955 PRESSURE: 3357400 -206.075 118.353 68.7454 118.354 93.0695 -228.261 68.7444 -228.261 -255.009 GPRESSURE: 3357400 -81.5165 138.506 112.945 63.877 57.8876 -267.928 -78.0246 -129.475 -256.149 PRESSAVG: 3357400 6.96159 -11.037 30.5583 -11.037 -11.4506 -17.3723 30.5583 -17.3722 16.7128 GPRESSAVG: 3357400 6.16842 -11.7766 30.4738 -10.8249 -12.5962 -16.4532 29.069 -17.4076 17.918 TIMING: 3357400 CPU: 10610.1, 0.00312562/step Wall: 10610.1, 0.00312562/step, 1.42615 hours remaining, 237.960938 MB of memory in use. ENERGY: 3357400 3932.7132 20443.0742 14408.3757 240.8502 -202801.2799 2414.2581 0.0000 0.0000 52187.6299 -109174.3786 299.9230 -161362.0084 -108818.5252 300.2473 -122.6712 -93.2592 760672.1722 4.0746 3.8301 PRESSURE: 3357600 47.652 -64.755 112.081 -64.7555 -70.9115 44.7667 112.08 44.7674 -498.67 GPRESSURE: 3357600 31.9099 -17.428 111.694 27.0764 -33.5942 -29.3011 -5.01726 -5.2417 -430.245 PRESSAVG: 3357600 2.96198 -19.2348 -24.0979 -19.2348 -53.6098 -11.1102 -24.0979 -11.1101 8.36123 GPRESSAVG: 3357600 3.2537 -17.414 -22.9218 -19.8247 -53.5421 -12.6876 -23.7652 -10.787 7.37184 TIMING: 3357600 CPU: 10610.8, 0.00315129/step Wall: 10610.8, 0.00315129/step, 1.43769 hours remaining, 237.960938 MB of memory in use. ENERGY: 3357600 4009.8861 20545.0462 14466.3332 253.3805 -203418.6233 2861.2589 0.0000 0.0000 51899.2911 -109383.4273 298.2659 -161282.7184 -109035.4798 299.0349 -173.9764 -143.9765 761056.6132 -14.0955 -14.3055 PRESSURE: 3357800 -167.828 -199.362 -140.456 -199.363 -259.582 -10.6183 -140.456 -10.6185 -302.482 GPRESSURE: 3357800 -176.472 -293.038 -173.141 -190.751 -174.207 12.87 -87.3838 134.012 -281.745 PRESSAVG: 3357800 -21.4716 10.0482 -29.5992 10.0482 -50.1278 17.9158 -29.5992 17.9158 -1.70328 GPRESSAVG: 3357800 -22.263 8.00692 -31.2151 10.8413 -50.6569 21.0799 -28.5268 16.9271 -0.980276 TIMING: 3357800 CPU: 10611.4, 0.00315558/step Wall: 10611.4, 0.00315558/step, 1.43947 hours remaining, 237.960938 MB of memory in use. ENERGY: 3357800 3994.2824 20402.5400 14454.4335 268.0179 -203165.7956 2421.0053 0.0000 0.0000 52156.4732 -109469.0432 299.7440 -161625.5164 -109112.1793 299.7610 -243.2974 -210.8079 761948.0331 -24.4342 -24.6334 PRESSURE: 3358000 209.598 -71.0357 140.703 -71.0347 -52.3273 -95.63 140.704 -95.63 -151.73 GPRESSURE: 3358000 216.559 29.791 9.4975 -165.387 -0.609592 -67.3116 228.548 -203.259 -132.645 PRESSAVG: 3358000 34.5493 -29.5205 -30.9588 -29.5205 -37.0252 -16.7765 -30.9589 -16.7764 18.3632 GPRESSAVG: 3358000 34.8435 -29.7009 -30.7063 -29.3862 -36.5291 -18.5042 -30.9926 -16.7345 17.1439 TIMING: 3358000 CPU: 10612, 0.00316197/step Wall: 10612, 0.00316197/step, 1.44221 hours remaining, 237.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3358000 4026.4034 20398.4896 14461.8089 238.3896 -203297.2885 2600.8274 0.0000 0.0000 52032.4769 -109538.8926 299.0314 -161571.3696 -109184.5977 299.1324 1.8469 27.7683 761639.4827 5.2958 5.1528 PRESSURE: 3358200 -241.951 16.4085 -120.869 16.4081 -282.484 53.524 -120.869 53.5239 -272.568 GPRESSURE: 3358200 -167.423 44.6449 -84.4067 -50.0796 -305.676 106.86 -185.65 15.6353 -237.837 PRESSAVG: 3358200 -7.61677 -53.7747 30.9724 -53.7747 38.7199 -31.5839 30.9724 -31.5838 26.2232 GPRESSAVG: 3358200 -8.15231 -54.1856 30.9056 -53.6814 37.7448 -31.9503 29.2444 -31.601 27.4615 TIMING: 3358200 CPU: 10612.6, 0.00312781/step Wall: 10612.6, 0.00312781/step, 1.42646 hours remaining, 237.960938 MB of memory in use. ENERGY: 3358200 3975.0217 20517.9680 14443.0890 252.2304 -203325.9730 2734.8733 0.0000 0.0000 51923.7083 -109479.0822 298.4063 -161402.7905 -109131.0579 298.8836 -265.6677 -236.9787 761784.1084 19.1088 19.0180 PRESSURE: 3358400 -190.161 -27.8068 -172.248 -27.8071 -245.724 -84.6424 -172.248 -84.6432 228.482 GPRESSURE: 3358400 -149.612 19.2531 -209.047 -31.5976 -183.471 -33.7124 -105.369 -87.0544 219.661 PRESSAVG: 3358400 -16.9558 -30.4374 -7.30542 -30.4375 -12.1411 -8.91524 -7.30547 -8.91527 -11.3323 GPRESSAVG: 3358400 -16.6649 -29.5327 -7.36864 -29.5351 -11.1477 -8.28254 -5.23376 -7.31906 -13.1354 TIMING: 3358400 CPU: 10613.3, 0.00312246/step Wall: 10613.3, 0.00312246/step, 1.42384 hours remaining, 237.960938 MB of memory in use. ENERGY: 3358400 3978.5416 20373.9533 14528.5520 253.6710 -203008.3932 2447.1160 0.0000 0.0000 52126.0495 -109300.5097 299.5691 -161426.5592 -108940.7178 299.4649 -69.1343 -37.8074 760954.0122 -13.4764 -13.6493 PRESSURE: 3358600 -55.5193 123.431 -111.804 123.431 1.14599 -11.4527 -111.804 -11.4528 539.989 GPRESSURE: 3358600 -0.451183 88.8083 -101.453 88.4152 -40.7362 34.86 -30.9516 -94.7126 603.262 PRESSAVG: 3358600 22.6703 -55.9168 11.372 -55.9168 -9.60534 11.9919 11.3721 11.9919 2.01719 GPRESSAVG: 3358600 23.2581 -56.7662 10.4269 -58.8239 -11.1104 12.0105 12.3748 12.0487 2.55982 TIMING: 3358600 CPU: 10613.9, 0.00313471/step Wall: 10613.9, 0.00313471/step, 1.42925 hours remaining, 237.960938 MB of memory in use. ENERGY: 3358600 3893.9276 20474.9576 14470.1389 267.7646 -203445.4382 2794.3940 0.0000 0.0000 52034.1710 -109510.0846 299.0411 -161544.2556 -109153.5830 299.4400 161.8720 187.3582 760543.4899 5.0274 4.9025 PRESSURE: 3358800 -59.108 -228.241 280.586 -228.241 -55.6116 1.75425 280.586 1.75516 163.754 GPRESSURE: 3358800 6.58458 -63.2538 204.484 -248.333 -83.4083 49.2622 202.764 -19.774 205.423 PRESSAVG: 3358800 40.1764 11.9395 16.2901 11.9396 -43.2469 -11.5002 16.2901 -11.5002 0.8163 GPRESSAVG: 3358800 40.1168 13.3105 17.9199 12.5334 -43.0438 -11.0935 14.662 -13.9 0.786745 TIMING: 3358800 CPU: 10614.5, 0.00312165/step Wall: 10614.5, 0.00312165/step, 1.42313 hours remaining, 237.960938 MB of memory in use. ENERGY: 3358800 4030.4129 20389.5847 14436.7531 234.2955 -203025.9751 2405.9862 0.0000 0.0000 52018.9341 -109510.0087 298.9535 -161528.9428 -109143.3197 298.8025 16.3449 42.8664 761694.7651 -0.7514 -0.7134 PRESSURE: 3359000 -126.484 -0.437408 -171.036 -0.437067 -51.6858 55.405 -171.035 55.405 304.266 GPRESSURE: 3359000 -109.801 -90.5421 -177.785 110.61 -45.6966 141.582 -175.506 65.0264 375.683 PRESSAVG: 3359000 26.4556 -3.98867 -7.27268 -3.98865 -5.97953 -45.8246 -7.27271 -45.8246 -10.1598 GPRESSAVG: 3359000 25.9386 -5.05788 -7.89791 -2.60805 -6.00761 -47.019 -5.83702 -44.3886 -9.23676 TIMING: 3359000 CPU: 10615.1, 0.00312011/step Wall: 10615.1, 0.00312011/step, 1.42225 hours remaining, 237.960938 MB of memory in use. ENERGY: 3359000 3986.3905 20468.0887 14468.5761 253.3241 -203581.9187 2788.9821 0.0000 0.0000 52130.7556 -109485.8015 299.5962 -161616.5571 -109113.1609 299.5814 42.0321 73.3953 762328.9431 3.4387 3.5647 PRESSURE: 3359200 -213.373 -47.1857 604.391 -47.186 96.2269 -82.4352 604.391 -82.436 286.824 GPRESSURE: 3359200 -122.907 -14.4793 604.215 -108.755 109.398 -122.336 491.344 -44.4081 259.524 PRESSAVG: 3359200 -54.2581 -51.156 20.9245 -51.1561 45.5809 -22.8246 20.9244 -22.8247 16.0585 GPRESSAVG: 3359200 -54.3107 -50.7316 21.5124 -52.1106 47.2328 -21.6471 18.6676 -24.2543 14.8411 TIMING: 3359200 CPU: 10615.8, 0.00313028/step Wall: 10615.8, 0.00313028/step, 1.42671 hours remaining, 237.960938 MB of memory in use. ENERGY: 3359200 4016.8346 20415.8817 14536.3607 249.1200 -203598.4905 2613.8294 0.0000 0.0000 52219.7439 -109546.7202 300.1076 -161766.4640 -109182.4990 299.4069 56.5595 82.0051 760265.2375 2.4604 2.5877 PRESSURE: 3359400 140.697 -4.71437 191.016 -4.71395 -3.23865 -200.782 191.015 -200.783 379.882 GPRESSURE: 3359400 246.186 -164.532 172.57 129.569 39.7356 -227.881 272.695 -74.2825 327.034 PRESSAVG: 3359400 -11.548 -42.2689 21.7678 -42.2689 5.06122 8.12732 21.7678 8.12733 -3.045 GPRESSAVG: 3359400 -10.4264 -41.0746 22.2949 -40.9704 3.18279 7.29328 23.3494 7.03552 -1.98904 TIMING: 3359400 CPU: 10616.4, 0.00314751/step Wall: 10616.4, 0.00314751/step, 1.43439 hours remaining, 237.960938 MB of memory in use. ENERGY: 3359400 3870.0627 20450.4487 14597.9816 255.5916 -203490.6070 2571.0082 0.0000 0.0000 52084.3411 -109661.1729 299.3294 -161745.5141 -109295.2995 299.2819 172.4468 204.3183 761272.6461 -3.1773 -3.0776 PRESSURE: 3359600 -70.1166 6.28764 -176.391 6.2878 -150.459 28.0987 -176.391 28.0981 215.711 GPRESSURE: 3359600 -197.854 -10.5842 -269.506 24.4324 27.3342 -40.9942 -106.234 -83.3018 245.927 PRESSAVG: 3359600 8.91096 -46.3552 23.0491 -46.3552 3.78325 -12.4886 23.0492 -12.4885 -3.12985 GPRESSAVG: 3359600 9.52943 -45.6899 22.6391 -48.9672 3.32734 -13.8207 22.9168 -9.75038 -3.52019 TIMING: 3359600 CPU: 10617, 0.00313929/step Wall: 10617, 0.00313929/step, 1.43047 hours remaining, 237.960938 MB of memory in use. ENERGY: 3359600 4015.1206 20441.7423 14463.4814 256.6739 -203794.2672 2729.9076 0.0000 0.0000 52128.6429 -109758.6984 299.5840 -161887.3414 -109393.2874 298.8811 -1.6214 25.1356 761947.6573 3.1881 3.1122 PRESSURE: 3359800 -129.248 1.5473 -233.997 1.54739 197.405 66.5033 -233.998 66.5045 -46.2551 GPRESSURE: 3359800 -150.052 -104.89 -235.206 -29.1896 208.319 119.411 -247.213 -10.796 57.7542 PRESSAVG: 3359800 53.9899 13.0668 -31.7466 13.0668 -17.1025 -3.11392 -31.7466 -3.11388 8.10735 GPRESSAVG: 3359800 52.3636 11.4863 -29.3401 12.3451 -15.1057 -3.36667 -32.3808 -5.65165 7.5973 TIMING: 3359800 CPU: 10617.7, 0.00314098/step Wall: 10617.7, 0.00314098/step, 1.43106 hours remaining, 237.960938 MB of memory in use. ENERGY: 3359800 3961.8050 20442.9082 14505.0996 254.4478 -203284.1691 2477.2573 0.0000 0.0000 52011.5098 -109631.1413 298.9109 -161642.6512 -109266.6358 299.1146 7.3004 38.6737 760729.5973 14.9982 14.9517 PRESSURE: 3360000 -450.716 -198.07 67.1695 -198.07 -202.001 -109.053 67.1701 -109.053 51.0946 GPRESSURE: 3360000 -402.876 -141.264 60.2411 -279.935 -209.525 -89.653 21.7203 -34.5703 101.892 PRESSAVG: 3360000 30.2172 -29.4421 -40.834 -29.4422 -2.34867 0.143292 -40.8339 0.143288 -0.20581 GPRESSAVG: 3360000 30.7597 -30.83 -44.9109 -27.0765 -3.01358 2.41732 -38.2716 -0.826728 0.114681 TIMING: 3360000 CPU: 10618.3, 0.00313561/step Wall: 10618.3, 0.00313561/step, 1.42845 hours remaining, 237.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3360000 3977.3720 20550.6611 14587.6597 229.5060 -203647.9674 2691.9432 0.0000 0.0000 52011.0830 -109599.7425 298.9084 -161610.8255 -109240.6469 298.9293 -200.5406 -170.1697 761283.0104 9.2209 9.2869 PRESSURE: 3360200 429.57 -76.6109 202.908 -76.6098 439.324 -220.534 202.909 -220.531 251.466 GPRESSURE: 3360200 424.411 -84.8664 268.762 -72.6769 491.34 -286.145 137.581 -127.201 278.015 PRESSAVG: 3360200 10.9425 -44.4065 -0.496251 -44.4064 -5.81031 -1.2749 -0.496292 -1.27489 -25.9781 GPRESSAVG: 3360200 11.1994 -43.1264 1.37882 -45.5486 -5.41493 -2.39492 -2.71194 0.693881 -26.5571 TIMING: 3360200 CPU: 10618.9, 0.00313694/step Wall: 10618.9, 0.00313694/step, 1.42888 hours remaining, 237.960938 MB of memory in use. ENERGY: 3360200 3925.4709 20407.2456 14548.0885 255.4550 -203683.7907 2829.9885 0.0000 0.0000 51951.9132 -109765.6289 298.5684 -161717.5421 -109396.7196 298.8664 373.4534 397.9217 760008.3735 -6.9487 -6.9242 LDB: ============= START OF LOAD BALANCING ============== 10631.3 LDB: ============== END OF LOAD BALANCING =============== 10631.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10631.3 LDB: ============= START OF LOAD BALANCING ============== 10631.6 LDB: Largest compute 7068 load 0.032379 is 16.5% of average load 0.196148 LDB: Average compute 0.004359 is 2.2% of average load 0.196148 LDB: TIME 10631.6 LOAD: AVG 0.196148 MAX 0.217121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 10631.6 LOAD: AVG 0.196148 MAX 0.217121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 10631.6 LOAD: AVG 0.196148 MAX 0.217121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 10631.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10631.6 PRESSURE: 3360400 51.9505 -4.74213 51.7998 -4.74243 -219.472 147.816 51.8001 147.817 369.132 GPRESSURE: 3360400 111.921 50.3356 52.444 -67.6121 -195.456 135.385 63.131 179.416 374.273 PRESSAVG: 3360400 15.0545 -26.2142 -21.7355 -26.2142 -19.9654 8.49971 -21.7354 8.49981 -21.0144 GPRESSAVG: 3360400 14.0502 -25.9506 -21.6681 -27.2308 -19.3751 9.9554 -21.166 8.27558 -20.6096 TIMING: 3360400 CPU: 10619.6, 0.00321938/step Wall: 10619.6, 0.00321938/step, 1.46625 hours remaining, 239.125000 MB of memory in use. ENERGY: 3360400 3962.4039 20522.6582 14504.6560 245.7734 -203121.4152 2397.8934 0.0000 0.0000 51846.2687 -109641.7616 297.9612 -161488.0302 -109281.6744 298.6554 67.2034 96.9128 759055.7578 -8.6418 -8.6448 PRESSURE: 3360600 -37.9628 134.55 289.077 134.55 -91.0084 -66.946 289.077 -66.9464 -320.061 GPRESSURE: 3360600 26.2106 160.786 238.91 173.567 -41.5073 -43.7148 260.59 57.9003 -334.381 PRESSAVG: 3360600 4.40048 14.637 57.3704 14.637 9.74707 -9.58546 57.3703 -9.58552 -19.8986 GPRESSAVG: 3360600 5.58581 14.994 55.6281 17.2448 8.60456 -10.4942 57.7597 -10.166 -20.0161 TIMING: 3360600 CPU: 10620.2, 0.00313872/step Wall: 10620.2, 0.00313872/step, 1.42934 hours remaining, 239.125000 MB of memory in use. ENERGY: 3360600 4037.5915 20496.3198 14477.4064 237.2287 -203291.4566 2658.1097 0.0000 0.0000 51923.0222 -109461.7782 298.4023 -161384.8005 -109101.8324 299.0238 -149.6776 -116.5594 760642.5659 -1.9170 -1.9419 PRESSURE: 3360800 357.492 -112.128 -342.937 -112.128 -333.841 131.424 -342.936 131.424 311.088 GPRESSURE: 3360800 308.948 -169.921 -317.867 -3.05266 -177.211 153.987 -109.871 110.92 283.373 PRESSAVG: 3360800 -16.3735 53.3367 28.6846 53.3367 -2.61525 6.94092 28.6846 6.94095 22.6429 GPRESSAVG: 3360800 -17.568 51.4226 32.0773 53.5157 -1.68372 6.27164 29.6718 8.84185 23.6081 TIMING: 3360800 CPU: 10620.8, 0.00315132/step Wall: 10620.8, 0.00315132/step, 1.4349 hours remaining, 239.125000 MB of memory in use. ENERGY: 3360800 3999.5415 20535.0293 14524.0165 262.8151 -203131.9945 2377.6489 0.0000 0.0000 51963.5002 -109469.4431 298.6349 -161432.9432 -109108.5699 299.3382 111.5796 138.3700 760402.6320 1.2181 1.4521 PRESSURE: 3361000 -338.037 -123.562 87.3208 -123.561 -193.728 -105.088 87.3207 -105.088 -756.417 GPRESSURE: 3361000 -362.889 -111.77 93.275 -82.3316 -172.993 -83.2864 140.309 -130.865 -692.321 PRESSAVG: 3361000 35.5793 -0.702352 -8.68452 -0.702378 -14.6558 -59.1475 -8.68454 -59.1475 29.4475 GPRESSAVG: 3361000 35.6873 1.43073 -11.4038 -1.08532 -14.2747 -59.6213 -9.65656 -60.3943 29.033 TIMING: 3361000 CPU: 10621.4, 0.00315719/step Wall: 10621.4, 0.00315719/step, 1.4374 hours remaining, 239.125000 MB of memory in use. ENERGY: 3361000 4019.0513 20567.0919 14498.3921 247.2931 -203433.5983 2329.7482 0.0000 0.0000 52441.6174 -109330.4042 301.3827 -161772.0216 -108974.1545 299.4225 -429.3941 -409.4010 761579.2444 16.7903 16.8152 PRESSURE: 3361200 -44.4486 61.9067 304.61 61.9057 -235.03 302.13 304.61 302.13 25.2172 GPRESSURE: 3361200 -17.7716 52.5327 281.825 73.4031 -193.576 268.776 210.65 394.899 41.3783 PRESSAVG: 3361200 56.5962 58.7639 48.0391 58.7639 -46.7566 -9.8557 48.0391 -9.85574 -11.1632 GPRESSAVG: 3361200 55.255 58.3721 48.6685 58.903 -47.8051 -7.94515 48.9453 -10.8212 -9.47818 TIMING: 3361200 CPU: 10622.1, 0.00315401/step Wall: 10622.1, 0.00315401/step, 1.43578 hours remaining, 239.125000 MB of memory in use. ENERGY: 3361200 4061.2483 20480.9654 14532.8661 245.5550 -203108.7467 2232.8865 0.0000 0.0000 52310.7066 -109244.5188 300.6303 -161555.2254 -108879.8851 299.7087 -84.7540 -56.6566 760858.0482 -0.4412 -0.6761 PRESSURE: 3361400 373.097 9.86006 -24.5401 9.86031 167.213 -20.5511 -24.5401 -20.551 36.2064 GPRESSURE: 3361400 424.54 32.1591 162.173 2.50428 192.987 39.1882 -150.01 31.778 65.2362 PRESSAVG: 3361400 27.6628 2.63404 -36.4525 2.63401 -44.8811 -10.2457 -36.4525 -10.2457 6.59437 GPRESSAVG: 3361400 30.1883 0.46389 -37.8235 2.4757 -45.6433 -11.3086 -38.9931 -7.52495 5.33441 TIMING: 3361400 CPU: 10622.7, 0.00314276/step Wall: 10622.7, 0.00314276/step, 1.43048 hours remaining, 239.125000 MB of memory in use. ENERGY: 3361400 3960.6715 20503.5844 14483.0354 249.2876 -203542.8384 2758.3695 0.0000 0.0000 52267.9106 -109319.9794 300.3844 -161587.8901 -108958.5257 300.2386 192.1722 227.5874 760995.0348 -3.5413 -3.3735 PRESSURE: 3361600 286.127 139.378 8.00745 139.379 52.1361 3.50829 8.00765 3.50804 283.016 GPRESSURE: 3361600 355.37 117.936 -16.4861 115.481 68.4716 -37.8877 -13.0645 39.2204 267.134 PRESSAVG: 3361600 15.905 21.2164 -75.7088 21.2163 -7.54426 32.349 -75.7088 32.349 -2.36856 GPRESSAVG: 3361600 15.2844 22.5491 -73.523 20.9595 -7.13248 32.1618 -75.7836 32.1539 -2.38227 TIMING: 3361600 CPU: 10623.3, 0.00317106/step Wall: 10623.3, 0.00317106/step, 1.44318 hours remaining, 239.125000 MB of memory in use. ENERGY: 3361600 4034.0325 20678.1468 14479.3424 241.5465 -203122.5269 2396.6914 0.0000 0.0000 52061.6093 -109231.1579 299.1988 -161292.7673 -108867.3962 299.6535 207.0929 230.3251 760747.9852 1.9974 1.9232 PRESSURE: 3361800 28.6603 -31.5292 -282.696 -31.5296 -45.3487 -185.129 -282.696 -185.129 4.74041 GPRESSURE: 3361800 91.5706 -41.1454 -279.207 -19.1817 -91.4163 -83.251 -293.577 -167.345 91.5315 PRESSAVG: 3361800 2.4125 18.1882 -16.1155 18.1882 -4.34393 -0.301266 -16.1154 -0.301336 5.74792 GPRESSAVG: 3361800 1.41969 18.1097 -17.4542 18.394 -3.70597 0.637913 -15.2689 -2.1312 6.73704 TIMING: 3361800 CPU: 10624, 0.00315901/step Wall: 10624, 0.00315901/step, 1.43752 hours remaining, 239.125000 MB of memory in use. ENERGY: 3361800 4013.9060 20417.0472 14526.2363 240.5292 -203537.1777 2694.2020 0.0000 0.0000 52225.3297 -109419.9273 300.1397 -161645.2570 -109053.2500 299.9280 -3.9827 30.5619 761483.8175 1.2722 1.4836 PRESSURE: 3362000 -200.243 -35.8502 53.8003 -35.85 -106.32 96.6139 53.8005 96.6143 -676.498 GPRESSURE: 3362000 -119.057 136.441 57.9981 162.091 -186.022 114.134 -32.9279 83.7002 -605.718 PRESSAVG: 3362000 -5.97616 -58.723 -8.82218 -58.723 0.331022 -9.92117 -8.82217 -9.92107 -1.88104 GPRESSAVG: 3362000 -4.18521 -57.4446 -8.30396 -58.9465 -1.75352 -9.76314 -9.79179 -9.04945 -1.16275 TIMING: 3362000 CPU: 10624.6, 0.00316229/step Wall: 10624.6, 0.00316229/step, 1.43884 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3362000 4010.2073 20475.8284 14474.0243 238.8090 -203373.7646 2560.4652 0.0000 0.0000 52349.0559 -109265.3745 300.8507 -161614.4304 -108893.9829 299.4705 -327.6871 -303.5990 761480.0274 -2.5087 -2.3672 PRESSURE: 3362200 -316.908 76.1578 40.3689 76.1585 -136.097 244.442 40.3688 244.442 -188.587 GPRESSURE: 3362200 -273.136 -71.0256 238.836 130.796 -129.794 227.512 40.6837 249.05 -161.99 PRESSAVG: 3362200 40.2786 -15.0679 42.754 -15.0679 -31.247 3.77938 42.7539 3.77943 10.1406 GPRESSAVG: 3362200 39.6058 -18.9602 43.6374 -12.8291 -29.4075 3.50514 44.0537 2.61782 8.80825 TIMING: 3362200 CPU: 10625.2, 0.0031427/step Wall: 10625.2, 0.00314271/step, 1.42976 hours remaining, 239.125000 MB of memory in use. ENERGY: 3362200 3994.3453 20663.4000 14465.2931 253.7855 -203116.1220 2345.1115 0.0000 0.0000 52225.8727 -109168.3140 300.1428 -161394.1867 -108816.3452 300.4527 -213.8637 -188.3067 761648.8032 6.3907 6.3355 PRESSURE: 3362400 -53.0675 199.904 -95.6778 199.904 -61.7457 131.604 -95.6773 131.605 -8.79941 GPRESSURE: 3362400 1.56006 148.013 -176.716 189.486 -56.5387 135.456 2.9789 103.825 -0.13542 PRESSAVG: 3362400 56.0925 68.083 17.5112 68.0831 -83.9292 26.4598 17.5113 26.4599 -3.61419 GPRESSAVG: 3362400 55.8403 70.7827 15.8398 64.9147 -83.5613 26.906 19.0608 27.6273 -3.36324 TIMING: 3362400 CPU: 10625.9, 0.00313465/step Wall: 10625.9, 0.00313465/step, 1.42592 hours remaining, 239.125000 MB of memory in use. ENERGY: 3362400 4061.6991 20499.7932 14499.4961 239.9933 -203616.6194 2860.7902 0.0000 0.0000 52327.3976 -109127.4499 300.7263 -161454.8475 -108762.4701 300.1346 -41.2042 -18.3714 759997.4590 -10.4836 -10.3614 PRESSURE: 3362600 271.971 20.7549 95.009 20.7539 6.83238 -148.264 95.0092 -148.262 -154.766 GPRESSURE: 3362600 112.303 77.7369 128.702 51.1341 151.38 -122.157 40.2928 -142.204 -48.4732 PRESSAVG: 3362600 41.095 27.3036 2.96404 27.3036 -61.3863 8.21658 2.96409 8.21659 -1.3408 GPRESSAVG: 3362600 39.0073 26.1457 3.36589 28.3463 -60.1377 9.23032 2.62787 8.56341 -0.733777 TIMING: 3362600 CPU: 10626.5, 0.00315997/step Wall: 10626.5, 0.00315997/step, 1.43726 hours remaining, 239.125000 MB of memory in use. ENERGY: 3362600 4052.7480 20515.0846 14414.3787 254.9274 -203546.1016 2664.0765 0.0000 0.0000 52116.2791 -109528.6071 299.5130 -161644.8863 -109168.2773 299.8671 41.3460 71.7365 760762.5713 -7.2107 -7.2880 PRESSURE: 3362800 -70.2701 -128.716 -5.33897 -128.716 -17.4719 253.975 -5.3391 253.974 344.232 GPRESSURE: 3362800 6.07422 -94.5229 -100.299 -63.3834 35.9739 312.794 -35.7068 322.683 311.353 PRESSAVG: 3362800 3.3856 -20.0663 49.3292 -20.0663 29.5534 45.2224 49.3292 45.2224 16.2867 GPRESSAVG: 3362800 6.72996 -19.6037 49.3073 -19.4345 27.6014 45.0776 48.6381 42.8552 15.1564 TIMING: 3362800 CPU: 10627.1, 0.00314468/step Wall: 10627.1, 0.00314468/step, 1.43013 hours remaining, 239.125000 MB of memory in use. ENERGY: 3362800 4056.9273 20512.8447 14540.0632 252.5568 -203578.8546 2489.5507 0.0000 0.0000 52026.1534 -109700.7585 298.9950 -161726.9118 -109348.9558 299.0803 85.4966 117.8003 760429.4722 16.4086 16.4959 PRESSURE: 3363000 111.106 100.344 231.095 100.343 14.4846 139.405 231.095 139.406 319.45 GPRESSURE: 3363000 37.6317 65.5312 255.471 135.587 153.45 108.755 253.532 142.887 337.822 PRESSAVG: 3363000 48.4008 -32.1026 8.5436 -32.1025 -18.9 48.3867 8.54364 48.3867 21.7401 GPRESSAVG: 3363000 46.6136 -31.9023 8.36203 -30.8675 -17.8175 46.4314 8.4821 51.4644 22.0638 TIMING: 3363000 CPU: 10627.8, 0.00314702/step Wall: 10627.8, 0.00314702/step, 1.43102 hours remaining, 239.125000 MB of memory in use. ENERGY: 3363000 3977.1913 20390.6221 14464.5965 245.5794 -203745.8019 2938.1884 0.0000 0.0000 52120.4360 -109609.1883 299.5369 -161729.6242 -109248.7308 298.6906 148.3467 176.3014 761019.2853 17.0803 16.9533 PRESSURE: 3363200 -44.6509 -30.3039 -207.764 -30.3029 -513.788 -152.507 -207.764 -152.508 -367.422 GPRESSURE: 3363200 -71.7109 63.3558 -201.293 -75.6867 -379.29 -102.208 -169.419 -192.89 -397.049 PRESSAVG: 3363200 -14.6512 24.7879 1.61799 24.7879 -6.74614 34.4984 1.61806 34.4985 -20.9438 GPRESSAVG: 3363200 -13.7418 27.3218 2.75734 21.7982 -6.85643 36.0737 0.986438 32.0827 -21.6432 TIMING: 3363200 CPU: 10628.4, 0.00314904/step Wall: 10628.4, 0.00314904/step, 1.43176 hours remaining, 239.125000 MB of memory in use. ENERGY: 3363200 4021.6787 20606.3575 14547.3818 261.1038 -203334.5876 2111.1630 0.0000 0.0000 52110.3270 -109676.5758 299.4788 -161786.9028 -109302.2129 299.1479 -308.6201 -282.6831 761109.2714 -14.1137 -14.0805 PRESSURE: 3363400 46.7416 42.5573 147.431 42.5582 -28.9597 27.379 147.431 27.3792 -189.691 GPRESSURE: 3363400 171.017 129.615 182.045 13.5734 -60.803 57.2794 -18.3175 76.6651 -209.831 PRESSAVG: 3363400 17.3605 -9.51041 -10.1606 -9.51044 -20.7431 3.71454 -10.1605 3.71455 15.4659 GPRESSAVG: 3363400 16.6627 -9.87445 -10.4634 -9.4417 -20.062 3.3795 -8.73534 4.50775 15.1921 TIMING: 3363400 CPU: 10629, 0.00315066/step Wall: 10629, 0.00315066/step, 1.43232 hours remaining, 239.125000 MB of memory in use. ENERGY: 3363400 4034.8421 20468.3052 14387.5444 252.3147 -204115.3453 3162.2461 0.0000 0.0000 52103.8950 -109706.1977 299.4418 -161810.0928 -109344.0672 299.0267 -57.3032 -33.2055 761585.7852 4.0278 3.9309 PRESSURE: 3363600 -69.7122 110.103 20.2491 110.103 -51.4567 214.831 20.2494 214.83 -54.1827 GPRESSURE: 3363600 11.1414 134.123 66.3702 74.4395 -26.789 238.18 -45.5548 110.492 -50.5165 PRESSAVG: 3363600 26.2165 26.6251 -24.9075 26.6251 -20.1732 -31.3957 -24.9075 -31.3957 -38.569 GPRESSAVG: 3363600 26.359 23.1857 -24.7389 27.6692 -21.6241 -32.3138 -26.9784 -30.6747 -36.9069 TIMING: 3363600 CPU: 10629.6, 0.00315456/step Wall: 10629.6, 0.00315456/step, 1.43392 hours remaining, 239.125000 MB of memory in use. ENERGY: 3363600 4070.0953 20428.8788 14457.1514 244.1991 -203132.6020 2407.8964 0.0000 0.0000 51768.8401 -109755.5409 297.5162 -161524.3810 -109389.3933 298.2309 -58.4505 -22.0547 763290.1459 -10.8419 -10.7240 PRESSURE: 3363800 376.974 38.8318 192.727 38.8322 -50.0785 -114.319 192.726 -114.319 -400.388 GPRESSURE: 3363800 308.162 75.1732 146.208 -61.7423 24.6525 -137.571 164.421 -149.676 -333.155 PRESSAVG: 3363800 79.505 3.98846 -13.2309 3.98838 -63.0532 -27.2157 -13.2308 -27.2157 -5.41469 GPRESSAVG: 3363800 79.9714 5.34251 -12.1553 5.13102 -62.139 -27.2975 -12.4714 -27.2418 -6.10173 TIMING: 3363800 CPU: 10630.3, 0.00318156/step Wall: 10630.3, 0.00318156/step, 1.44602 hours remaining, 239.125000 MB of memory in use. ENERGY: 3363800 4040.4719 20444.2485 14453.9675 238.7151 -203846.4885 2949.8346 0.0000 0.0000 51906.1443 -109813.1064 298.3053 -161719.2508 -109456.4783 298.5780 -24.4975 -0.1136 761061.8470 3.6790 3.9102 PRESSURE: 3364000 -2.42289 -63.2213 -35.7362 -63.2214 293.641 -169.387 -35.7355 -169.389 227.593 GPRESSURE: 3364000 67.026 -220.527 -43.2102 -76.7054 312.445 -145.278 -19.8066 -166.532 233.174 PRESSAVG: 3364000 12.6638 36.1131 80.6084 36.113 -1.14483 11.4779 80.6084 11.4779 -16.9128 GPRESSAVG: 3364000 12.4978 34.2444 79.5725 35.6574 -1.08055 10.5822 81.9091 11.0017 -17.1898 TIMING: 3364000 CPU: 10630.9, 0.00316185/step Wall: 10630.9, 0.00316185/step, 1.43688 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3364000 3955.3117 20465.3893 14473.9133 243.7582 -203646.9349 2696.1834 0.0000 0.0000 51946.0667 -109866.3124 298.5348 -161812.3791 -109495.0134 298.3813 172.9368 204.2150 760913.2835 -1.7979 -1.9242 PRESSURE: 3364200 96.6743 188.321 170.095 188.322 -251.137 -58.5356 170.095 -58.5359 172.721 GPRESSURE: 3364200 45.9373 167.966 134.961 139.7 -101.578 -94.4004 100.475 -53.1761 160.893 PRESSAVG: 3364200 18.6518 34.1133 4.403 34.1133 2.24378 7.87039 4.40294 7.87033 25.7106 GPRESSAVG: 3364200 19.069 35.9483 5.61086 32.6566 1.15256 8.575 4.14209 8.65242 26.6072 TIMING: 3364200 CPU: 10631.5, 0.00317356/step Wall: 10631.5, 0.00317356/step, 1.44203 hours remaining, 239.125000 MB of memory in use. ENERGY: 3364200 4027.9458 20538.4885 14415.9227 244.7884 -203487.9333 2491.6603 0.0000 0.0000 52133.9860 -109635.1416 299.6147 -161769.1275 -109265.7986 298.3418 6.0860 35.0842 760911.2149 15.5354 15.6096 LDB: ============= START OF LOAD BALANCING ============== 10643.9 LDB: ============== END OF LOAD BALANCING =============== 10643.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10643.9 LDB: ============= START OF LOAD BALANCING ============== 10644.3 LDB: Largest compute 7068 load 0.033932 is 17.3% of average load 0.196057 LDB: Average compute 0.004379 is 2.2% of average load 0.196057 LDB: TIME 10644.3 LOAD: AVG 0.196057 MAX 0.216496 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 10644.3 LOAD: AVG 0.196057 MAX 0.216496 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: TIME 10644.3 LOAD: AVG 0.196057 MAX 0.216496 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: ============== END OF LOAD BALANCING =============== 10644.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10644.3 PRESSURE: 3364400 191.765 -126.316 92.1275 -126.316 173.012 26.7616 92.1276 26.7602 -19.7156 GPRESSURE: 3364400 325.688 29.5195 61.5646 -48.2146 131.756 -23.9579 105.094 59.9777 -24.0299 PRESSAVG: 3364400 -13.3026 -6.69534 21.3472 -6.69531 64.6574 65.5103 21.3472 65.5102 7.61545 GPRESSAVG: 3364400 -12.6735 -6.18203 20.3647 -4.76486 64.6193 66.5857 21.2194 65.0161 7.52101 TIMING: 3364400 CPU: 10632.2, 0.00322974/step Wall: 10632.2, 0.00322974/step, 1.46738 hours remaining, 239.695312 MB of memory in use. ENERGY: 3364400 3989.5634 20466.6795 14466.2670 248.1293 -203476.3310 2564.8347 0.0000 0.0000 51984.2387 -109756.6185 298.7541 -161740.8572 -109383.2779 299.1009 115.0202 144.4713 761400.9514 19.6568 19.8223 PRESSURE: 3364600 -43.9844 -5.11881 -110.926 -5.1191 -46.6455 -106.04 -110.927 -106.039 -236.939 GPRESSURE: 3364600 11.2609 -128.065 -182.183 -17.6619 -94.4008 -32.4398 -148.469 -98.9642 -169.536 PRESSAVG: 3364600 -15.741 15.7856 -59.8555 15.7857 43.3787 -44.5137 -59.8555 -44.5137 3.99085 GPRESSAVG: 3364600 -15.689 14.4734 -59.5137 15.9675 44.0776 -44.7759 -60.5238 -44.4533 3.20719 TIMING: 3364600 CPU: 10632.8, 0.00317684/step Wall: 10632.8, 0.00317684/step, 1.44317 hours remaining, 239.898438 MB of memory in use. ENERGY: 3364600 3992.4847 20522.5252 14451.1586 238.4703 -203749.6676 2691.0838 0.0000 0.0000 52243.7593 -109610.1857 300.2456 -161853.9450 -109237.9206 299.0324 -109.1895 -84.2253 761081.3187 10.5428 10.5319 PRESSURE: 3364800 -23.8576 188.085 133.209 188.085 75.5223 48.1513 133.21 48.1506 -0.942398 GPRESSURE: 3364800 13.387 62.1505 137.533 208.145 62.6887 46.5071 65.6595 101.008 34.1626 PRESSAVG: 3364800 -50.0158 -5.97523 42.0695 -5.97522 15.3067 -55.1798 42.0695 -55.1798 -15.4958 GPRESSAVG: 3364800 -51.1532 -5.33487 41.4548 -6.69034 15.6435 -56.035 42.0745 -54.9881 -15.1921 TIMING: 3364800 CPU: 10633.5, 0.00315381/step Wall: 10633.5, 0.00315381/step, 1.43253 hours remaining, 239.898438 MB of memory in use. ENERGY: 3364800 4014.3867 20436.7380 14465.9379 241.3840 -203624.0329 2883.1832 0.0000 0.0000 51841.9108 -109740.4922 297.9362 -161582.4030 -109367.1819 298.5669 16.9074 36.7461 762893.8066 -16.7350 -16.9006 PRESSURE: 3365000 -206.814 174.734 234.398 174.735 134.626 -192.998 234.398 -192.999 -65.356 GPRESSURE: 3365000 -121.439 142.884 224.705 113.261 218.489 -186.475 134.343 -106.023 -152.468 PRESSAVG: 3365000 11.184 45.2521 4.70326 45.2521 57.5792 -10.8825 4.70323 -10.8825 -11.9906 GPRESSAVG: 3365000 11.911 45.2658 3.56763 43.1058 57.774 -10.6079 6.52135 -11.3336 -12.8738 TIMING: 3365000 CPU: 10634.1, 0.00316364/step Wall: 10634.1, 0.00316364/step, 1.43682 hours remaining, 239.898438 MB of memory in use. ENERGY: 3365000 4029.0201 20415.9406 14447.6797 250.2118 -203347.2877 2587.6008 0.0000 0.0000 51890.5466 -109726.2882 298.2157 -161616.8348 -109371.0492 298.9037 -45.8482 -18.4725 761208.8965 18.9242 18.9371 PRESSURE: 3365200 -525.77 -107.747 -194.266 -107.748 -217.727 -270.623 -194.266 -270.621 -244.108 GPRESSURE: 3365200 -502.227 -44.0432 -139.336 -111.563 -156.159 -281.875 -98.1478 -350.203 -230.737 PRESSAVG: 3365200 9.66796 -11.9447 -1.18575 -11.9448 31.8361 9.08612 -1.1857 9.08615 4.81622 GPRESSAVG: 3365200 8.43381 -11.5072 1.0473 -8.74771 32.5328 8.2802 -2.1937 9.44542 5.18451 TIMING: 3365200 CPU: 10634.7, 0.00316653/step Wall: 10634.7, 0.00316653/step, 1.43796 hours remaining, 239.898438 MB of memory in use. ENERGY: 3365200 4023.0294 20315.1184 14474.8671 248.4869 -203290.7266 2547.2548 0.0000 0.0000 51908.7616 -109773.2083 298.3204 -161681.9699 -109414.4826 298.1953 -329.2015 -296.3744 761794.0216 15.4401 15.3837 PRESSURE: 3365400 -83.915 104.249 -4.82464 104.249 -17.0811 -345.82 -4.82535 -345.82 -379.98 GPRESSURE: 3365400 -66.4335 16.3649 -66.778 165.556 8.24507 -298.115 -14.755 -365.039 -349.708 PRESSAVG: 3365400 8.7046 -14.8407 22.1635 -14.8407 -2.15726 32.2113 22.1635 32.2114 6.34951 GPRESSAVG: 3365400 8.78226 -16.9352 21.8455 -15.9333 -2.05691 30.6879 22.6984 33.568 6.32354 TIMING: 3365400 CPU: 10635.4, 0.003194/step Wall: 10635.4, 0.003194/step, 1.45025 hours remaining, 239.898438 MB of memory in use. ENERGY: 3365400 4037.4389 20268.1142 14450.1880 255.1283 -203321.7901 2484.0525 0.0000 0.0000 51917.6039 -109909.2642 298.3712 -161826.8681 -109555.8178 298.1625 -160.3253 -135.9654 761590.6743 4.2989 4.3496 PRESSURE: 3365600 -216.272 -141.268 45.8999 -141.268 -238.785 85.1354 45.9013 85.1368 -65.5728 GPRESSURE: 3365600 -230.664 -149.64 56.8551 9.20861 -184.564 85.76 163.716 134.605 -14.608 PRESSAVG: 3365600 -3.26905 -8.28012 -5.47351 -8.28009 -68.7067 18.0663 -5.47356 18.0663 -15.5695 GPRESSAVG: 3365600 -2.87158 -5.14111 -5.26224 -9.0477 -69.3868 19.3863 -4.92871 16.3054 -15.6819 TIMING: 3365600 CPU: 10636, 0.00318866/step Wall: 10636, 0.00318866/step, 1.44765 hours remaining, 239.898438 MB of memory in use. ENERGY: 3365600 3947.6840 20331.3570 14430.0918 227.2489 -203361.5633 2562.3231 0.0000 0.0000 52031.2430 -109831.6155 299.0243 -161862.8585 -109479.3915 298.3699 -173.5434 -143.2785 762892.3376 -29.1818 -29.3134 PRESSURE: 3365800 -82.9775 -96.4103 158.313 -96.4099 -154.498 -235.912 158.312 -235.912 303.594 GPRESSURE: 3365800 23.4704 -78.732 41.2245 -138.324 -87.5716 -119.555 206.536 -294.004 243.272 PRESSAVG: 3365800 1.4772 0.0857025 44.4006 0.0857276 35.3461 17.8522 44.4005 17.8522 -0.633176 GPRESSAVG: 3365800 0.79798 -1.75281 43.9913 1.07768 36.2827 18.0985 42.8168 16.3593 -1.1298 TIMING: 3365800 CPU: 10636.6, 0.00318627/step Wall: 10636.6, 0.00318627/step, 1.44639 hours remaining, 239.898438 MB of memory in use. ENERGY: 3365800 4060.9609 20487.6128 14530.1183 261.5680 -203656.2365 2773.3546 0.0000 0.0000 51769.4365 -109773.1854 297.5197 -161542.6219 -109417.9582 298.6812 22.0395 59.7235 759994.4766 12.0634 11.9836 PRESSURE: 3366000 -390.593 -93.529 -62.3308 -93.5283 -358.097 53.497 -62.3308 53.4952 219.787 GPRESSURE: 3366000 -328.534 -87.8996 -62.911 -80.721 -359.306 31.4974 -77.3679 -9.54891 238.299 PRESSAVG: 3366000 -54.6528 7.72235 -22.5893 7.72239 84.4257 -32.2889 -22.5892 -32.2891 8.61203 GPRESSAVG: 3366000 -54.6849 7.03404 -21.6782 7.63378 83.5068 -32.7971 -22.0667 -29.8338 9.27945 TIMING: 3366000 CPU: 10637.3, 0.00317354/step Wall: 10637.3, 0.00317354/step, 1.44043 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3366000 4026.3857 20472.7425 14515.2606 234.4758 -203309.3067 2515.3695 0.0000 0.0000 51816.3290 -109728.7437 297.7892 -161545.0727 -109375.0767 298.6279 -176.3008 -149.8471 762391.9685 12.7950 12.7004 PRESSURE: 3366200 -241.532 -57.2673 9.99839 -57.2685 9.04845 143.698 9.99859 143.698 -41.9057 GPRESSURE: 3366200 -211.423 -16.4602 50.243 48.3379 85.5684 148.338 101.125 119.77 -86.252 PRESSAVG: 3366200 -59.8283 -5.20299 -25.8081 -5.20301 13.9049 -35.7237 -25.8081 -35.7236 3.99109 GPRESSAVG: 3366200 -60.3795 -3.6299 -27.7007 -4.84588 15.148 -34.4693 -24.1752 -38.302 3.2472 TIMING: 3366200 CPU: 10637.9, 0.00319239/step Wall: 10637.9, 0.00319239/step, 1.44881 hours remaining, 239.898438 MB of memory in use. ENERGY: 3366200 4037.8716 20258.8530 14528.5939 245.4639 -203603.3858 2796.8317 0.0000 0.0000 52013.5748 -109722.1970 298.9227 -161735.7718 -109355.9391 298.5356 -91.4632 -70.7023 761102.7356 -13.9774 -13.9948 PRESSURE: 3366400 -72.9691 92.9629 -204.06 92.9632 -28.7235 -189.89 -204.06 -189.891 -88.0957 GPRESSURE: 3366400 18.3406 104.668 -251.377 123.252 -74.9721 -220.762 -123.827 -168.87 -36.8755 PRESSAVG: 3366400 -14.7475 30.8365 -19.0853 30.8366 23.3814 -40.2881 -19.0853 -40.288 7.33583 GPRESSAVG: 3366400 -13.5949 30.4615 -18.3675 31.7516 22.3415 -42.2917 -19.2668 -36.1921 7.27264 TIMING: 3366400 CPU: 10638.5, 0.00317813/step Wall: 10638.5, 0.00317813/step, 1.44216 hours remaining, 239.898438 MB of memory in use. ENERGY: 3366400 4038.5876 20368.4485 14487.8530 252.6137 -203781.1044 2584.8225 0.0000 0.0000 52091.1274 -109957.6518 299.3684 -162048.7792 -109601.8262 298.5333 -63.2627 -31.1690 759414.6096 5.3232 5.3398 PRESSURE: 3366600 41.6658 95.8864 260.339 95.8867 155.788 -4.25003 260.34 -4.24944 -312.771 GPRESSURE: 3366600 -5.50947 77.1283 363.585 64.8761 244.063 -11.6518 177.928 -139.254 -261.665 PRESSAVG: 3366600 57.1782 53.0023 5.73182 53.0023 15.5454 -72.8084 5.73185 -72.8085 5.92209 GPRESSAVG: 3366600 55.9449 53.8418 6.20617 50.3828 17.4775 -71.3231 5.58644 -73.9095 5.72457 TIMING: 3366600 CPU: 10639.2, 0.00315102/step Wall: 10639.2, 0.00315102/step, 1.42969 hours remaining, 239.898438 MB of memory in use. ENERGY: 3366600 4005.9955 20532.5702 14438.1194 264.3299 -203851.7072 2767.5746 0.0000 0.0000 51994.4262 -109848.6915 298.8127 -161843.1177 -109485.1700 299.1354 -38.4392 -7.7037 761580.9055 26.2152 26.3823 PRESSURE: 3366800 349.537 -116.576 253.013 -116.577 58.6128 202.704 253.013 202.704 -259.42 GPRESSURE: 3366800 262.621 -51.3351 360.933 -102.283 142.028 167.08 108.532 156.029 -193.499 PRESSAVG: 3366800 4.28398 -41.9506 -7.31319 -41.9506 -13.1958 11.6938 -7.31322 11.6938 5.82367 GPRESSAVG: 3366800 5.04369 -40.7279 -7.54031 -41.162 -14.2965 10.9685 -8.71364 10.6515 6.51703 TIMING: 3366800 CPU: 10639.8, 0.00316452/step Wall: 10639.8, 0.00316452/step, 1.43564 hours remaining, 239.898438 MB of memory in use. ENERGY: 3366800 3968.3957 20534.0561 14441.2791 262.5350 -204017.3748 2776.3719 0.0000 0.0000 52071.4729 -109963.2642 299.2555 -162034.7371 -109604.7684 298.5542 49.5767 70.3834 761761.1691 -1.0294 -0.9119 PRESSURE: 3367000 -76.7765 138.884 90.1538 138.884 -640.451 103.629 90.1535 103.629 -163.475 GPRESSURE: 3367000 -198.361 25.2848 27.5706 -42.9799 -462.538 -1.31724 182.167 109.157 -133.926 PRESSAVG: 3367000 -43.7657 4.9847 3.92931 4.98471 52.1345 13.8972 3.92929 13.8972 13.1142 GPRESSAVG: 3367000 -44.9658 3.60158 4.34672 4.70183 52.5307 14.5625 2.92251 14.2277 13.8969 TIMING: 3367000 CPU: 10640.4, 0.0031489/step Wall: 10640.4, 0.0031489/step, 1.42838 hours remaining, 239.898438 MB of memory in use. ENERGY: 3367000 4017.7826 20468.3814 14530.7796 244.2936 -203450.9432 2621.8287 0.0000 0.0000 51750.3969 -109817.4805 297.4102 -161567.8774 -109465.5810 298.4896 -293.5675 -264.9417 762611.1275 7.1610 7.1539 PRESSURE: 3367200 -231.117 154.716 35.7192 154.715 -52.9983 -226.621 35.7193 -226.621 -260.054 GPRESSURE: 3367200 -227.889 81.4017 14.1712 58.8173 -12.3262 -226.819 -11.4671 -197.025 -220.282 PRESSAVG: 3367200 21.8487 -28.4228 4.59454 -28.4228 -37.2443 22.0158 4.59455 22.0158 9.91737 GPRESSAVG: 3367200 22.8275 -31.163 4.11917 -27.6886 -36.2131 20.252 9.01149 23.6627 8.40503 TIMING: 3367200 CPU: 10641.1, 0.00315383/step Wall: 10641.1, 0.00315383/step, 1.43044 hours remaining, 239.898438 MB of memory in use. ENERGY: 3367200 4026.5168 20398.1585 14495.2289 240.8441 -203646.1714 2453.8906 0.0000 0.0000 51996.8674 -110034.6650 298.8267 -162031.5324 -109664.8758 298.5883 -181.3899 -153.4992 760544.7971 -1.8261 -1.6602 PRESSURE: 3367400 -138.66 -43.4368 59.1908 -43.4366 -333.519 66.5333 59.1906 66.5329 176.804 GPRESSURE: 3367400 -107.149 27.5791 117.247 -30.189 -281.017 2.13026 47.4315 81.3307 206.929 PRESSAVG: 3367400 10.1834 4.63411 20.8916 4.63414 -3.20156 -28.9537 20.8916 -28.9537 6.98938 GPRESSAVG: 3367400 10.4112 7.8255 20.2819 3.68126 -3.11065 -26.6375 21.5564 -30.95 6.73964 TIMING: 3367400 CPU: 10641.7, 0.00318096/step Wall: 10641.7, 0.00318096/step, 1.44257 hours remaining, 239.898438 MB of memory in use. ENERGY: 3367400 3903.9127 20591.2097 14444.2915 237.2682 -203544.6287 2515.0778 0.0000 0.0000 52020.4751 -109832.3936 298.9624 -161852.8687 -109478.0506 298.3530 -98.4582 -60.4127 759779.0797 4.6571 4.6801 PRESSURE: 3367600 -39.0178 153.762 -109.724 153.762 -79.2727 -74.8773 -109.723 -74.8771 242.987 GPRESSURE: 3367600 20.6954 66.2766 -73.609 199.809 -87.3102 -97.5449 -264.525 -198.07 264.368 PRESSAVG: 3367600 24.5773 -29.2743 -18.3381 -29.2742 -27.8454 8.4055 -18.3381 8.40552 12.1438 GPRESSAVG: 3367600 23.5724 -31.053 -16.2087 -27.249 -28.5722 7.33923 -21.9942 9.01805 13.503 TIMING: 3367600 CPU: 10642.3, 0.00318795/step Wall: 10642.3, 0.00318795/step, 1.44556 hours remaining, 239.898438 MB of memory in use. ENERGY: 3367600 4009.3144 20606.8225 14446.2887 258.4275 -204132.9134 2976.1578 0.0000 0.0000 52152.5931 -109683.3094 299.7217 -161835.9025 -109326.9592 299.2688 41.5655 65.9179 762233.7673 2.9586 2.8344 PRESSURE: 3367800 -10.145 247.137 22.5025 247.137 88.4552 44.9265 22.5027 44.9269 49.7693 GPRESSURE: 3367800 -50.3803 174.979 -121.963 105.477 162.336 -36.041 114.508 94.3365 109.343 PRESSAVG: 3367800 15.9552 -17.4215 -59.233 -17.4215 -15.2596 -9.51997 -59.233 -9.52001 -8.31252 GPRESSAVG: 3367800 16.6258 -17.2593 -60.8946 -16.4052 -15.1344 -11.1733 -59.3324 -9.53014 -9.11056 TIMING: 3367800 CPU: 10643, 0.00317409/step Wall: 10643, 0.00317409/step, 1.4391 hours remaining, 239.898438 MB of memory in use. ENERGY: 3367800 3992.9520 20408.6109 14462.8815 231.1549 -203396.8914 2548.6528 0.0000 0.0000 52238.6446 -109513.9948 300.2162 -161752.6394 -109154.3984 299.5039 42.6932 73.7663 761198.8643 -2.5390 -2.5397 PRESSURE: 3368000 253.412 8.69232 -91.8188 8.69271 -9.67486 156.095 -91.8191 156.095 -170.886 GPRESSURE: 3368000 211.625 -51.9157 -14.4895 37.8721 67.8504 101.291 7.86417 183.876 -135.893 PRESSAVG: 3368000 -15.2875 -31.2969 -31.3628 -31.2969 8.90497 46.7501 -31.3628 46.7502 -3.14583 GPRESSAVG: 3368000 -16.0793 -31.3221 -30.0906 -35.4687 8.56675 48.2135 -29.8716 46.6655 -1.92229 TIMING: 3368000 CPU: 10643.6, 0.0031802/step Wall: 10643.6, 0.0031802/step, 1.44169 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3368000 3987.8752 20527.4618 14374.6205 246.7332 -203194.1298 2657.0574 0.0000 0.0000 51927.8239 -109472.5578 298.4299 -161400.3817 -109109.4833 298.9522 24.2839 47.8609 762286.0293 -3.1761 -3.1449 PRESSURE: 3368200 -316.059 -118.884 129.091 -118.884 -156.547 -54.8858 129.091 -54.885 -154.472 GPRESSURE: 3368200 -306.247 -71.1056 102.533 -94.1929 -160.199 -53.763 165.181 -13.4508 -79.7506 PRESSAVG: 3368200 -46.4466 -32.9351 25.6607 -32.9351 10.4659 46.3163 25.6608 46.3163 3.68256 GPRESSAVG: 3368200 -45.9594 -32.6306 25.1182 -30.5552 10.0018 45.7419 25.8502 47.491 3.3655 TIMING: 3368200 CPU: 10644.3, 0.00317824/step Wall: 10644.3, 0.00317824/step, 1.44062 hours remaining, 239.898438 MB of memory in use. ENERGY: 3368200 4032.1990 20510.3259 14439.6689 248.7063 -203319.2544 2522.5475 0.0000 0.0000 51954.5938 -109611.2130 298.5838 -161565.8068 -109252.6467 298.7218 -209.0258 -182.0654 761725.6761 -10.7661 -10.8640 LDB: ============= START OF LOAD BALANCING ============== 10656.7 LDB: ============== END OF LOAD BALANCING =============== 10656.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10656.7 LDB: ============= START OF LOAD BALANCING ============== 10657 LDB: Largest compute 7068 load 0.032279 is 16.5% of average load 0.196136 LDB: Average compute 0.004374 is 2.2% of average load 0.196136 LDB: TIME 10657 LOAD: AVG 0.196136 MAX 0.219556 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.961 MB LDB: TIME 10657 LOAD: AVG 0.196136 MAX 0.219556 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: TIME 10657 LOAD: AVG 0.196136 MAX 0.217358 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: ============== END OF LOAD BALANCING =============== 10657 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10657 PRESSURE: 3368400 -30.517 -186.687 327.651 -186.688 -267.229 93.6571 327.651 93.6578 -191.834 GPRESSURE: 3368400 -17.802 -197.733 376.075 -194.54 -246.675 54.395 219.006 -18.5018 -136.439 PRESSAVG: 3368400 52.7135 -12.6808 22.5573 -12.6807 -53.2188 46.9461 22.5573 46.9461 19.2561 GPRESSAVG: 3368400 52.4721 -11.3155 23.4339 -12.0193 -52.7865 47.9707 21.1766 46.1647 18.8618 TIMING: 3368400 CPU: 10644.9, 0.00325519/step Wall: 10644.9, 0.00325519/step, 1.47533 hours remaining, 237.757812 MB of memory in use. ENERGY: 3368400 3960.6019 20483.3238 14456.6721 229.0815 -203244.9610 2617.3424 0.0000 0.0000 51707.0820 -109790.8573 297.1613 -161497.9393 -109432.3264 298.1955 -163.1934 -133.6387 762235.1042 6.2502 6.1825 PRESSURE: 3368600 -35.3825 74.1084 -407.092 74.1084 -71.6149 121.308 -407.092 121.308 220.83 GPRESSURE: 3368600 102.702 57.1156 -356.702 30.4469 -71.3508 220.77 -294.902 95.6597 172.708 PRESSAVG: 3368600 57.9324 6.57567 23.1999 6.57569 -36.9924 -15.6274 23.2 -15.6275 5.8546 GPRESSAVG: 3368600 58.4826 5.81052 23.0577 4.78807 -38.3621 -15.9282 23.5609 -17.4333 6.04489 TIMING: 3368600 CPU: 10645.5, 0.00319268/step Wall: 10645.5, 0.00319268/step, 1.44682 hours remaining, 237.960938 MB of memory in use. ENERGY: 3368600 3970.3919 20393.4622 14430.8323 231.0707 -203463.4462 2887.6842 0.0000 0.0000 52005.1778 -109544.8271 298.8745 -161550.0048 -109181.8100 299.0830 37.9442 68.0197 762517.2804 8.9315 8.7218 PRESSURE: 3368800 -236.27 -115.558 -52.7824 -115.558 -289.323 75.5711 -52.7822 75.5718 55.8463 GPRESSURE: 3368800 -288.476 -131.634 -21.483 -187.033 -304.584 102.878 24.4994 65.1657 195.467 PRESSAVG: 3368800 12.8464 2.13415 16.9127 2.13416 11.7167 21.8499 16.9127 21.8499 -29.5266 GPRESSAVG: 3368800 12.7494 4.26033 14.5985 2.67313 11.6037 23.0423 17.0861 24.0653 -29.4503 TIMING: 3368800 CPU: 10646.2, 0.00317103/step Wall: 10646.2, 0.00317103/step, 1.43683 hours remaining, 237.960938 MB of memory in use. ENERGY: 3368800 4021.5779 20480.7977 14510.9542 236.0481 -202872.1943 2381.2593 0.0000 0.0000 51883.7834 -109357.7737 298.1768 -161241.5571 -109001.7961 298.6541 -156.5825 -132.5313 762841.4120 -1.6545 -1.6991 PRESSURE: 3369000 31.1202 -224.281 240.646 -224.281 148.213 -48.719 240.647 -48.7186 643.912 GPRESSURE: 3369000 67.8837 -264.094 181.946 -136.42 157.149 -47.3972 176.992 -72.5531 686.994 PRESSAVG: 3369000 29.6 -18.6478 35.2521 -18.6479 -14.3482 -48.8622 35.252 -48.8622 -18.6583 GPRESSAVG: 3369000 29.6272 -18.3461 36.2898 -19.3168 -13.0851 -49.7855 35.0833 -48.7406 -19.9315 TIMING: 3369000 CPU: 10646.8, 0.00316929/step Wall: 10646.8, 0.00316929/step, 1.43586 hours remaining, 237.960938 MB of memory in use. ENERGY: 3369000 4028.7849 20574.1444 14440.4917 272.5087 -203241.3247 2662.8440 0.0000 0.0000 52182.2024 -109080.3486 299.8918 -161262.5510 -108718.3583 299.7074 274.4151 304.0089 761293.4094 -1.1355 -1.1298 PRESSURE: 3369200 -137.304 -165.264 165.408 -165.265 -278.778 1.53287 165.407 1.53287 94.4602 GPRESSURE: 3369200 -90.4052 -95.2993 200.734 -95.5143 -237.882 -52.1174 -18.4076 56.0822 101.147 PRESSAVG: 3369200 -7.47388 -27.657 -0.236805 -27.657 29.7184 -14.2712 -0.236854 -14.2712 -1.51783 GPRESSAVG: 3369200 -6.67933 -28.9747 1.28024 -24.3051 29.1269 -13.1292 -4.74102 -14.6635 -0.893857 TIMING: 3369200 CPU: 10647.4, 0.00316061/step Wall: 10647.4, 0.00316061/step, 1.43176 hours remaining, 237.960938 MB of memory in use. ENERGY: 3369200 4022.5820 20430.4961 14492.7465 259.1465 -202777.0382 2277.7225 0.0000 0.0000 52272.7747 -109021.5699 300.4124 -161294.3446 -108647.4048 300.3893 -107.2073 -75.7136 761221.3073 6.9089 7.1846 PRESSURE: 3369400 282.569 161.727 56.6101 161.727 -205.769 70.6054 56.6109 70.6052 -556.63 GPRESSURE: 3369400 229.123 108.123 20.6125 147.163 -130.631 74.2725 176.897 35.9031 -504.199 PRESSAVG: 3369400 20.382 -6.62473 39.0315 -6.62469 -45.0959 -35.4902 39.0315 -35.4901 -1.08016 GPRESSAVG: 3369400 18.193 -7.7503 37.4558 -10.4399 -43.7382 -37.496 43.5206 -36.7447 -0.540844 TIMING: 3369400 CPU: 10648.1, 0.00315292/step Wall: 10648.1, 0.00315292/step, 1.4281 hours remaining, 237.960938 MB of memory in use. ENERGY: 3369400 4099.5166 20318.4781 14438.1884 258.9322 -203140.0160 2560.1634 0.0000 0.0000 52291.1120 -109173.6253 300.5177 -161464.7373 -108814.6914 300.1936 -159.9434 -135.2355 763514.3621 -8.5980 -8.6954 PRESSURE: 3369600 -144.43 -21.7444 33.7575 -21.7452 -31.008 -122.88 33.7572 -122.88 -165.378 GPRESSURE: 3369600 -114.028 -8.59077 52.444 -10.6379 -94.6399 -4.6307 -37.5337 -127.296 -71.9366 PRESSAVG: 3369600 7.1526 31.0813 15.447 31.0813 -9.48254 -19.6548 15.447 -19.6547 9.82062 GPRESSAVG: 3369600 7.28548 30.8612 15.3725 34.4635 -9.27467 -18.6112 15.3868 -18.3961 9.27043 TIMING: 3369600 CPU: 10648.7, 0.00316867/step Wall: 10648.7, 0.00316867/step, 1.43505 hours remaining, 237.960938 MB of memory in use. ENERGY: 3369600 4001.6346 20569.3738 14399.9940 245.3192 -202734.7124 2214.0240 0.0000 0.0000 52213.4888 -109090.8781 300.0716 -161304.3668 -108733.7609 300.3025 -113.6053 -93.5349 763196.4762 2.4969 2.4271 PRESSURE: 3369800 24.7517 112.64 -87.2995 112.64 -57.4998 -83.1194 -87.2994 -83.1196 53.7297 GPRESSURE: 3369800 40.8873 106.667 -44.3704 92.8826 -63.2661 -78.707 -175.336 -59.0521 152.884 PRESSAVG: 3369800 -0.0324102 -3.50212 -1.59896 -3.50212 -5.85549 -11.854 -1.59897 -11.8539 1.63712 GPRESSAVG: 3369800 1.03673 -1.49282 -1.30811 -4.34069 -7.54674 -12.6493 -1.081 -12.7707 2.05847 TIMING: 3369800 CPU: 10649.3, 0.0031389/step Wall: 10649.3, 0.0031389/step, 1.4214 hours remaining, 237.960938 MB of memory in use. ENERGY: 3369800 3989.9165 20378.5356 14412.1129 250.2096 -203543.1019 2894.1529 0.0000 0.0000 52363.6276 -109254.5468 300.9345 -161618.1744 -108895.1025 300.1340 6.9939 43.5017 761106.1813 -1.4169 -1.4838 PRESSURE: 3370000 249.211 -76.1303 94.5313 -76.1296 -121.233 -181.473 94.5315 -181.473 77.9962 GPRESSURE: 3370000 304.267 19.01 100.325 -46.1554 -42.8164 -137.147 120.355 -84.253 32.7657 PRESSAVG: 3370000 62.69 18.4376 -0.0257112 18.4376 -64.6086 -30.0674 -0.0256959 -30.0675 25.5686 GPRESSAVG: 3370000 62.5709 19.9145 -0.802428 18.0905 -63.7852 -30.3575 1.07731 -28.2732 24.837 TIMING: 3370000 CPU: 10650, 0.00315237/step Wall: 10650, 0.00315237/step, 1.42732 hours remaining, 237.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3370000 3983.2631 20479.1935 14391.9839 248.4118 -202935.6623 2380.8723 0.0000 0.0000 52084.9290 -109367.0087 299.3328 -161451.9378 -108995.6971 299.4854 68.6580 98.0721 761533.7187 7.8833 7.8742 PRESSURE: 3370200 -216.805 -118.907 -122.676 -118.907 -53.607 -140.118 -122.675 -140.117 134.432 GPRESSURE: 3370200 -215.14 -69.8605 -178.006 -98.5891 -66.225 -155.487 -75.0613 -244.431 227.862 PRESSAVG: 3370200 2.65739 19.7369 9.21161 19.7369 -4.99454 -16.2006 9.21158 -16.2007 -7.59268 GPRESSAVG: 3370200 2.24539 19.8796 9.16459 18.9003 -6.04798 -15.6225 7.893 -18.8621 -6.60096 TIMING: 3370200 CPU: 10650.6, 0.00316171/step Wall: 10650.6, 0.00316171/step, 1.43137 hours remaining, 237.960938 MB of memory in use. ENERGY: 3370200 3966.0464 20415.5492 14446.7652 215.4786 -203326.2829 2697.4126 0.0000 0.0000 52271.6911 -109313.3399 300.4061 -161585.0310 -108941.3578 298.9310 -45.3266 -17.8343 762467.9030 -3.3099 -3.4678 PRESSURE: 3370400 52.5663 -18.8735 88.9283 -18.8735 56.9952 35.5356 88.9277 35.5365 -268.726 GPRESSURE: 3370400 99.4374 26.5709 69.8133 -153.433 52.2279 -22.3923 -0.117853 98.0896 -226.392 PRESSAVG: 3370400 -41.7144 13.1449 11.9259 13.1449 42.8364 6.4207 11.9259 6.42065 28.15 GPRESSAVG: 3370400 -41.5334 9.47068 11.7639 14.4925 42.919 6.41884 13.0908 7.29824 27.6371 TIMING: 3370400 CPU: 10651.2, 0.00315793/step Wall: 10651.2, 0.00315793/step, 1.42949 hours remaining, 237.960938 MB of memory in use. ENERGY: 3370400 3975.3188 20505.8984 14460.5031 240.7033 -203264.9307 2499.6045 0.0000 0.0000 52051.4703 -109531.4322 299.1405 -161582.9025 -109162.6904 299.3820 -53.0550 -24.9088 761469.7291 9.7573 9.6742 PRESSURE: 3370600 -124.986 -73.9594 -108.69 -73.9598 -23.777 -91.4616 -108.689 -91.4611 310.031 GPRESSURE: 3370600 -51.3051 -89.1505 -130.894 -13.6833 13.5412 -56.627 44.3923 -36.8101 289.25 PRESSAVG: 3370600 29.0927 -51.844 24.8243 -51.844 -43.7835 17.0871 24.8242 17.0871 1.1097 GPRESSAVG: 3370600 29.0502 -50.2337 24.5589 -55.0963 -43.9334 17.8323 24.38 18.1569 1.2166 TIMING: 3370600 CPU: 10651.9, 0.00316083/step Wall: 10651.9, 0.00316083/step, 1.43063 hours remaining, 237.960938 MB of memory in use. ENERGY: 3370600 4007.2748 20358.6021 14474.7290 242.4516 -203667.8500 2655.5304 0.0000 0.0000 52317.6132 -109611.6489 300.6700 -161929.2621 -109261.4473 299.2755 53.7558 83.8287 761059.1944 -4.5270 -4.5556 PRESSURE: 3370800 249.278 -140.634 60.0284 -140.633 -73.693 179.767 60.0279 179.767 -416.852 GPRESSURE: 3370800 167.14 -35.6741 5.14777 -207.352 25.8203 77.4064 136.613 103.785 -355.378 PRESSAVG: 3370800 22.849 -62.883 -20.1299 -62.883 -35.833 -7.30003 -20.1299 -7.30005 3.60702 GPRESSAVG: 3370800 21.7515 -64.1221 -19.0041 -61.9781 -35.507 -9.54526 -19.6002 -7.08128 3.96445 TIMING: 3370800 CPU: 10652.5, 0.00315013/step Wall: 10652.5, 0.00315013/step, 1.42561 hours remaining, 237.960938 MB of memory in use. ENERGY: 3370800 3919.0062 20510.2017 14338.5148 242.7705 -203074.0657 2381.6867 0.0000 0.0000 51954.6781 -109727.2077 298.5842 -161681.8858 -109359.4064 298.8101 -80.4222 -54.1392 761578.6652 -3.1257 -3.2637 PRESSURE: 3371000 -250.541 -27.2322 157.844 -27.2323 3.04365 145.287 157.844 145.286 -0.260305 GPRESSURE: 3371000 -205.174 -108.511 233.24 -77.4463 53.816 140.758 122.868 188.177 -32.0376 PRESSAVG: 3371000 5.8235 -70.1117 40.8612 -70.1117 2.94002 -25.5622 40.8612 -25.5622 14.4126 GPRESSAVG: 3371000 5.92135 -68.3833 41.4315 -69.5162 2.92057 -24.7523 37.7584 -28.2583 14.1354 TIMING: 3371000 CPU: 10653.1, 0.00315829/step Wall: 10653.1, 0.00315829/step, 1.42913 hours remaining, 237.960938 MB of memory in use. ENERGY: 3371000 3914.1470 20294.0486 14436.7299 250.3824 -203333.0544 2790.1736 0.0000 0.0000 51976.5552 -109671.0176 298.7100 -161647.5729 -109316.2612 298.8064 -82.5858 -61.1319 763222.9816 7.7254 7.6591 PRESSURE: 3371200 -51.5474 14.1319 -37.0048 14.1325 76.2918 48.8257 -37.0049 48.8255 -342.782 GPRESSURE: 3371200 25.1799 -23.7154 1.47449 -94.9174 53.5923 80.7048 -81.3654 26.7919 -316.534 PRESSAVG: 3371200 0.367095 -48.3865 -13.7333 -48.3865 26.4446 -14.6682 -13.7334 -14.6683 20.1546 GPRESSAVG: 3371200 1.59087 -46.8792 -15.7296 -49.0561 26.9339 -15.5534 -11.0291 -12.096 18.6119 TIMING: 3371200 CPU: 10653.7, 0.00313782/step Wall: 10653.7, 0.00313782/step, 1.41969 hours remaining, 237.960938 MB of memory in use. ENERGY: 3371200 4019.5920 20592.2149 14428.9884 229.7626 -203398.8718 2529.7074 0.0000 0.0000 51920.8487 -109677.7578 298.3898 -161598.6065 -109337.5372 298.7745 -106.0125 -79.2541 762930.5535 15.6554 15.7122 PRESSURE: 3371400 -251.718 52.9698 -133.205 52.9695 -176.173 -69.9991 -133.205 -70.0004 -240.746 GPRESSURE: 3371400 -145.834 48.117 -77.7391 107.561 -171.128 -57.2206 -91.706 -77.7851 -254.138 PRESSAVG: 3371400 -58.1438 -25.3448 -53.2808 -25.3448 -8.1396 -74.3488 -53.2809 -74.3488 7.33347 GPRESSAVG: 3371400 -59.3567 -26.9512 -50.7742 -23.9508 -6.9198 -73.4558 -52.874 -75.5211 7.51076 TIMING: 3371400 CPU: 10654.4, 0.003158/step Wall: 10654.4, 0.003158/step, 1.42864 hours remaining, 237.960938 MB of memory in use. ENERGY: 3371400 4016.1142 20506.6678 14488.6180 248.3780 -203300.6806 2508.1386 0.0000 0.0000 51806.2039 -109726.5601 297.7310 -161532.7639 -109373.7468 298.5208 -222.8787 -190.3665 762726.7521 -19.6500 -19.5886 PRESSURE: 3371600 -283.712 -40.2742 234.791 -40.2752 178.813 -112.829 234.79 -112.828 255.206 GPRESSURE: 3371600 -205.132 -14.3545 276.867 14.5848 144.296 -30.3249 95.6603 -163.586 299.391 PRESSAVG: 3371600 -26.451 6.8946 -21.7571 6.89463 35.5866 -37.0613 -21.7571 -37.0613 11.6356 GPRESSAVG: 3371600 -24.7737 7.31191 -21.2273 7.68054 33.4656 -36.4086 -24.3412 -38.869 11.6746 TIMING: 3371600 CPU: 10655, 0.00316042/step Wall: 10655, 0.00316042/step, 1.42957 hours remaining, 237.960938 MB of memory in use. ENERGY: 3371600 3926.9340 20589.1216 14496.1388 260.5296 -202830.4296 2000.3672 0.0000 0.0000 51937.9872 -109619.3512 298.4883 -161557.3384 -109264.5543 298.9563 50.1024 79.5184 761916.2830 6.9238 6.7888 PRESSURE: 3371800 15.7286 -83.7748 -140.792 -83.7758 36.1283 -49.4458 -140.792 -49.4463 -104.538 GPRESSURE: 3371800 55.7899 -66.0231 -140.013 -129.419 82.816 -146.016 -36.2861 75.9303 -108.302 PRESSAVG: 3371800 -63.7656 -21.6157 5.33137 -21.6157 57.6099 -67.2362 5.33132 -67.2363 -4.01115 GPRESSAVG: 3371800 -64.5772 -21.4694 3.73726 -23.6934 59.7402 -70.1463 7.01375 -66.061 -4.96993 TIMING: 3371800 CPU: 10655.6, 0.00317422/step Wall: 10655.6, 0.00317422/step, 1.43563 hours remaining, 237.960938 MB of memory in use. ENERGY: 3371800 4008.7771 20369.3115 14456.0793 261.5258 -203419.4327 2692.4978 0.0000 0.0000 51868.9105 -109762.3307 298.0913 -161631.2412 -109393.8179 298.8176 -17.5603 10.1014 761819.2867 -3.3889 -3.2690 PRESSURE: 3372000 -483.718 -18.7694 -96.6243 -18.7689 -397.841 186.317 -96.6239 186.317 -287.375 GPRESSURE: 3372000 -357.347 -18.0586 -35.7083 -90.0707 -355.473 178.671 -183.101 117.1 -375.233 PRESSAVG: 3372000 -7.77235 -47.7496 -10.397 -47.7497 24.6449 -35.6284 -10.3969 -35.6284 21.4184 GPRESSAVG: 3372000 -6.87802 -47.8038 -10.3855 -47.7195 23.5474 -35.5362 -12.0059 -34.1529 21.4384 TIMING: 3372000 CPU: 10656.3, 0.00317726/step Wall: 10656.3, 0.00317726/step, 1.43683 hours remaining, 237.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3372000 4104.0060 20439.1641 14418.1236 277.0355 -203491.5338 2500.1666 0.0000 0.0000 51954.8572 -109798.1808 298.5853 -161753.0380 -109441.8706 298.2098 -389.6445 -362.6842 759962.1541 12.7637 12.7026 PRESSURE: 3372200 -61.6804 319.373 -18.4767 319.372 -56.2359 30.51 -18.4772 30.5114 184.245 GPRESSURE: 3372200 36.8532 117.528 25.8787 288.354 -24.9609 52.6363 -73.1444 -104.964 128.139 PRESSAVG: 3372200 -63.987 3.31993 -17.6553 3.31989 24.714 4.52142 -17.6553 4.52144 8.25023 GPRESSAVG: 3372200 -64.5526 2.33103 -17.8179 3.666 25.3401 6.78416 -16.7432 3.46106 8.45143 TIMING: 3372200 CPU: 10656.9, 0.00317655/step Wall: 10656.9, 0.00317655/step, 1.43633 hours remaining, 237.960938 MB of memory in use. ENERGY: 3372200 3991.0433 20522.7387 14515.2049 237.7206 -203485.4620 2704.0154 0.0000 0.0000 51937.2640 -109577.4751 298.4842 -161514.7391 -109221.7069 299.0377 22.1097 46.6770 762081.5262 -10.3409 -10.2537 LDB: ============= START OF LOAD BALANCING ============== 10669.3 LDB: ============== END OF LOAD BALANCING =============== 10669.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10669.3 LDB: ============= START OF LOAD BALANCING ============== 10669.6 LDB: Largest compute 7068 load 0.032930 is 16.8% of average load 0.196106 LDB: Average compute 0.004362 is 2.2% of average load 0.196106 LDB: TIME 10669.6 LOAD: AVG 0.196106 MAX 0.21489 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.039 MB LDB: TIME 10669.6 LOAD: AVG 0.196106 MAX 0.21489 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.059 MB LDB: TIME 10669.6 LOAD: AVG 0.196106 MAX 0.21489 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.059 MB LDB: ============== END OF LOAD BALANCING =============== 10669.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10669.6 PRESSURE: 3372400 -83.5863 118.37 169.362 118.37 -94.3837 384.423 169.362 384.424 -597.97 GPRESSURE: 3372400 -24.4981 59.0144 72.5453 46.2167 -140.4 316.828 203.471 317.61 -543.858 PRESSAVG: 3372400 -5.10013 30.8855 -12.0404 30.8855 71.5237 -13.7806 -12.0404 -13.7806 -5.46574 GPRESSAVG: 3372400 -4.8791 32.7442 -12.7657 30.379 70.3595 -13.686 -12.031 -14.6982 -4.5471 TIMING: 3372400 CPU: 10657.6, 0.0032289/step Wall: 10657.6, 0.0032289/step, 1.45982 hours remaining, 238.066406 MB of memory in use. ENERGY: 3372400 4053.2508 20651.9474 14391.7546 234.3235 -203410.7723 2325.8093 0.0000 0.0000 52146.8960 -109606.7909 299.6889 -161753.6869 -109256.1834 299.4312 -258.6468 -236.2521 761091.6369 20.3193 20.3111 PRESSURE: 3372600 219.289 126.515 42.6671 126.515 -174.85 -47.2634 42.6669 -47.2622 108.017 GPRESSURE: 3372600 180.391 57.0162 54.4645 94.3674 -46.4498 92.519 52.8787 -91.4221 108.59 PRESSAVG: 3372600 8.80437 7.09181 -6.46199 7.09176 -15.7185 8.00665 -6.46209 8.0066 -15.7123 GPRESSAVG: 3372600 8.50554 7.07838 -6.20672 7.88486 -15.8886 7.50413 -6.17937 8.58908 -15.5158 TIMING: 3372600 CPU: 10658.2, 0.00316143/step Wall: 10658.2, 0.00316143/step, 1.42914 hours remaining, 238.269531 MB of memory in use. ENERGY: 3372600 4003.1411 20492.4573 14425.5768 245.6364 -204179.8828 2990.9991 0.0000 0.0000 52020.9086 -110001.1637 298.9649 -162022.0723 -109642.8832 298.4484 50.8187 80.8437 762800.4083 -7.5421 -7.6330 PRESSURE: 3372800 -410.881 -155.977 -27.0262 -155.977 -44.2277 52.5212 -27.0271 52.5208 -36.1201 GPRESSURE: 3372800 -317.168 -198.583 -64.6979 -105.175 -132.894 85.3969 -39.7043 47.7606 35.8657 PRESSAVG: 3372800 0.80705 -21.6534 5.45134 -21.6534 -25.1354 -8.84434 5.45142 -8.84433 7.6759 GPRESSAVG: 3372800 1.10257 -22.8983 4.66105 -21.6643 -25.3908 -8.96107 5.51464 -7.3836 7.30322 TIMING: 3372800 CPU: 10658.8, 0.00316932/step Wall: 10658.8, 0.00316932/step, 1.43253 hours remaining, 238.269531 MB of memory in use. ENERGY: 3372800 4004.9496 20503.2238 14485.0415 236.2497 -203507.8159 2615.2799 0.0000 0.0000 51807.1650 -109855.9065 297.7365 -161663.0714 -109491.8505 298.5597 -163.7428 -138.0656 760787.5582 -5.5508 -5.6617 PRESSURE: 3373000 190.74 -81.5541 -143.929 -81.5545 242.275 -218.618 -143.928 -218.618 -179.524 GPRESSURE: 3373000 203.485 -126.314 -167.973 -85.7689 283.519 -137.683 -220.843 -262.644 -133.543 PRESSAVG: 3373000 -28.0152 -56.2638 4.10859 -56.2639 21.1087 11.5715 4.10856 11.5715 3.04331 GPRESSAVG: 3373000 -27.8613 -55.4782 6.54987 -56.0096 20.858 12.8696 3.34029 9.62706 3.6396 TIMING: 3373000 CPU: 10659.5, 0.00318199/step Wall: 10659.5, 0.00318199/step, 1.43808 hours remaining, 238.269531 MB of memory in use. ENERGY: 3373000 3967.5580 20455.7911 14482.9831 259.0666 -203611.4660 2476.5420 0.0000 0.0000 52026.3671 -109943.1580 298.9962 -161969.5252 -109568.5271 298.6594 84.4966 117.8204 760343.0369 -1.2877 -1.1212 PRESSURE: 3373200 -270.168 -122.107 44.2326 -122.107 -619.576 10.559 44.2331 10.5587 -172.242 GPRESSURE: 3373200 -357.353 -48.2874 75.3304 -77.3118 -430.324 -143.151 20.1217 -15.8942 -190.286 PRESSAVG: 3373200 -49.9798 -23.9549 -39.8708 -23.9549 71.6504 38.9807 -39.8709 38.9806 8.27093 GPRESSAVG: 3373200 -49.6391 -23.4877 -41.5404 -24.2146 72.0202 37.6667 -39.7042 39.7434 7.64078 TIMING: 3373200 CPU: 10660.1, 0.00314496/step Wall: 10660.1, 0.00314497/step, 1.42117 hours remaining, 238.269531 MB of memory in use. ENERGY: 3373200 3986.9541 20473.5127 14394.8159 232.8292 -203151.6971 2400.5036 0.0000 0.0000 51770.5682 -109892.5134 297.5262 -161663.0816 -109529.3075 298.5421 -353.9951 -325.9876 762302.0230 9.9805 10.0073 PRESSURE: 3373400 314.801 -152.359 -122.842 -152.359 295.876 8.18612 -122.841 8.18621 200.384 GPRESSURE: 3373400 385.555 -34.6294 -80.9182 -199.283 291.268 74.9808 -90.4866 112.144 223.244 PRESSAVG: 3373400 -20.2697 5.64879 -34.3104 5.64872 18.782 -23.9207 -34.3104 -23.9207 -4.22268 GPRESSAVG: 3373400 -20.0719 7.08728 -34.7822 6.00996 18.3332 -22.5539 -35.6886 -24.8549 -4.39982 TIMING: 3373400 CPU: 10660.7, 0.00318804/step Wall: 10660.7, 0.00318804/step, 1.44046 hours remaining, 238.269531 MB of memory in use. ENERGY: 3373400 3936.1313 20444.4128 14539.3595 241.0931 -203745.4697 2914.4728 0.0000 0.0000 51882.6862 -109787.3140 298.1705 -161670.0002 -109414.9500 298.1728 270.3535 300.0222 760764.9187 -1.9035 -2.0462 PRESSURE: 3373600 31.5772 -119.758 184.914 -119.758 -263.235 103.972 184.914 103.972 -96.6702 GPRESSURE: 3373600 1.08251 -175.368 63.8629 23.5537 -227.147 61.1846 174.222 119.493 -17.8468 PRESSAVG: 3373600 -23.9239 -12.7683 19.8137 -12.7682 30.4097 -25.5443 19.8138 -25.5442 16.4875 GPRESSAVG: 3373600 -23.9672 -14.1128 20.2375 -13.1324 30.1725 -25.8444 20.4888 -27.5436 16.7286 TIMING: 3373600 CPU: 10661.4, 0.0031606/step Wall: 10661.4, 0.0031606/step, 1.42789 hours remaining, 238.269531 MB of memory in use. ENERGY: 3373600 4022.8921 20421.6684 14475.0470 230.0315 -203282.7300 2332.6795 0.0000 0.0000 51832.8340 -109967.5776 297.8840 -161800.4116 -109599.0039 298.0873 -109.4428 -81.3037 761586.3515 7.6578 7.6446 PRESSURE: 3373800 153.444 -13.6215 -170.623 -13.6223 166.087 -39.899 -170.623 -39.8991 -358.332 GPRESSURE: 3373800 228.028 -24.4451 -226.411 -123.589 79.5272 33.4707 -7.16282 -40.1069 -270.485 PRESSAVG: 3373800 -20.9615 -53.6412 -22.8938 -53.6412 -17.4397 -5.89516 -22.8938 -5.89515 1.52476 GPRESSAVG: 3373800 -21.7277 -54.0219 -22.7028 -55.1686 -17.0824 -6.05173 -22.033 -3.23371 2.11076 TIMING: 3373800 CPU: 10662, 0.00316446/step Wall: 10662, 0.00316446/step, 1.42946 hours remaining, 238.269531 MB of memory in use. ENERGY: 3373800 4057.7638 20690.6255 14458.4880 260.7364 -203786.5498 2583.6500 0.0000 0.0000 51885.4471 -109849.8390 298.1864 -161735.2862 -109495.3553 298.4270 -12.9336 12.3566 761491.3507 -12.2921 -12.2331 PRESSURE: 3374000 -19.2958 -36.6746 185.463 -36.6735 -154.456 126.629 185.463 126.629 39.7271 GPRESSURE: 3374000 -5.15615 41.2085 209.828 -58.8742 -87.7075 6.80822 223.391 190.616 21.9652 PRESSAVG: 3374000 31.7706 23.0016 10.4462 23.0016 -1.37862 26.2133 10.4462 26.2133 -17.4902 GPRESSAVG: 3374000 31.6297 24.4371 9.19113 22.2321 -0.425504 25.7999 11.0202 25.5305 -17.8288 TIMING: 3374000 CPU: 10662.6, 0.00314745/step Wall: 10662.6, 0.00314745/step, 1.4216 hours remaining, 238.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3374000 4035.9648 20586.2699 14369.0454 253.7207 -203269.4428 2358.9142 0.0000 0.0000 52080.4763 -109585.0515 299.3072 -161665.5278 -109226.8316 298.4401 -44.6749 -23.6328 760746.4799 4.3006 4.4585 PRESSURE: 3374200 -169.904 -95.9158 12.7994 -95.9157 -123.119 -192.797 12.7996 -192.798 88.039 GPRESSURE: 3374200 -66.1252 -7.69744 45.7441 -171.08 -82.4848 -183.064 -79.2199 -157.148 31.0158 PRESSAVG: 3374200 62.1588 10.9157 9.04533 10.9158 -53.7179 -37.1017 9.04533 -37.1017 2.22726 GPRESSAVG: 3374200 61.7814 10.9648 9.88178 12.2056 -53.5889 -38.1432 6.65352 -37.5638 2.10986 TIMING: 3374200 CPU: 10663.3, 0.00317459/step Wall: 10663.3, 0.00317459/step, 1.43368 hours remaining, 238.269531 MB of memory in use. ENERGY: 3374200 3945.9994 20581.9003 14441.1897 254.9769 -204088.4883 2979.9767 0.0000 0.0000 52268.0237 -109616.4215 300.3851 -161884.4452 -109247.7424 299.0669 -68.3281 -39.1981 760468.2067 3.5561 3.4341 PRESSURE: 3374400 13.9046 -12.6535 -129.026 -12.6538 -197.958 -131.08 -129.026 -131.081 378.706 GPRESSURE: 3374400 72.983 75.0364 -55.8698 -17.7675 -57.2582 -52.833 -74.5464 -55.56 270.318 PRESSAVG: 3374400 9.28213 61.7924 52.0635 61.7924 40.6214 -21.1637 52.0634 -21.1637 16.3867 GPRESSAVG: 3374400 9.16131 60.4414 52.2742 62.0754 40.1743 -20.2319 52.948 -20.8812 16.8244 TIMING: 3374400 CPU: 10663.9, 0.00316517/step Wall: 10663.9, 0.00316517/step, 1.42925 hours remaining, 238.269531 MB of memory in use. ENERGY: 3374400 4053.4743 20559.6240 14442.9409 260.5374 -203597.7316 2482.3935 0.0000 0.0000 52011.7877 -109786.9737 298.9125 -161798.7614 -109434.9946 299.1120 64.8840 95.3477 759763.9305 22.0968 22.0533 PRESSURE: 3374600 355.529 85.2044 -16.3129 85.2037 -128.386 -200.288 -16.3119 -200.289 76.2873 GPRESSURE: 3374600 302.048 -37.6898 -74.1628 31.2149 3.51969 -197.15 7.79713 -214.435 62.7293 PRESSAVG: 3374600 11.4703 -0.386531 12.1337 -0.3866 -36.015 -61.8506 12.1337 -61.8507 -6.35628 GPRESSAVG: 3374600 11.9966 0.81239 12.2715 -0.846335 -37.2888 -62.715 12.4567 -62.3274 -5.90671 TIMING: 3374600 CPU: 10664.5, 0.00315304/step Wall: 10664.5, 0.00315304/step, 1.4236 hours remaining, 238.269531 MB of memory in use. ENERGY: 3374600 3970.7946 20562.6295 14506.3803 263.1017 -203663.6134 2738.3833 0.0000 0.0000 52069.0701 -109553.2540 299.2417 -161622.3240 -109189.8158 298.9937 101.1432 122.7656 760816.1780 -10.3003 -10.3996 PRESSURE: 3374800 -77.0804 -61.6371 202.824 -61.6365 38.1292 145.418 202.825 145.419 -399.372 GPRESSURE: 3374800 -37.4617 68.3215 217.912 -151.678 95.5902 69.1058 184.579 272.777 -409.058 PRESSAVG: 3374800 -4.34949 6.77119 34.282 6.77117 -1.83531 -2.24679 34.2819 -2.24683 15.9096 GPRESSAVG: 3374800 -5.00238 9.1891 36.1157 6.20628 -0.650668 -2.4325 32.976 0.825842 15.4283 TIMING: 3374800 CPU: 10665.2, 0.00316076/step Wall: 10665.2, 0.00316076/step, 1.42691 hours remaining, 238.269531 MB of memory in use. ENERGY: 3374800 4094.2060 20541.4291 14440.3221 243.3642 -203334.7947 2536.1431 0.0000 0.0000 52003.3392 -109475.9909 298.8639 -161479.3301 -109119.6387 299.4911 -146.1076 -116.9764 760715.1919 3.2416 3.2584 PRESSURE: 3375000 33.0412 -66.9938 305.361 -66.9933 -79.156 98.9129 305.36 98.9125 46.3136 GPRESSURE: 3375000 41.9633 14.9834 186.021 -85.5533 -52.3049 85.159 194.241 48.7684 89.4862 PRESSAVG: 3375000 1.81337 -4.51018 56.0408 -4.51023 5.77363 2.89643 56.0408 2.89653 26.1172 GPRESSAVG: 3375000 2.63374 -6.64987 53.8483 -0.249112 5.51184 3.16219 57.4966 -0.844354 25.5247 TIMING: 3375000 CPU: 10665.8, 0.00317029/step Wall: 10665.8, 0.00317029/step, 1.43103 hours remaining, 238.269531 MB of memory in use. ENERGY: 3375000 4003.6746 20671.8888 14442.3540 235.7264 -203753.3906 2835.6186 0.0000 0.0000 52215.0328 -109349.0955 300.0805 -161564.1282 -108991.3268 299.6874 0.0662 26.3815 759920.4053 11.2347 11.2234 PRESSURE: 3375200 438.654 13.1987 -200.997 13.198 -136.38 29.4774 -200.997 29.4779 406.63 GPRESSURE: 3375200 450.71 48.5558 -188.908 -4.00735 -76.3301 -7.94951 -139.164 81.6483 418.344 PRESSAVG: 3375200 8.67325 35.4297 10.373 35.4298 15.7616 -1.8424 10.373 -1.84242 3.14881 GPRESSAVG: 3375200 8.81302 35.6807 9.24861 32.4893 15.7124 -2.5302 11.3078 -1.83086 2.99316 TIMING: 3375200 CPU: 10666.4, 0.00314853/step Wall: 10666.4, 0.00314853/step, 1.42104 hours remaining, 238.269531 MB of memory in use. ENERGY: 3375200 3983.7908 20627.6731 14423.0319 235.1089 -203746.8663 2737.6993 0.0000 0.0000 52138.4007 -109601.1616 299.6401 -161739.5623 -109242.2515 299.3517 236.3011 264.2415 759034.3852 9.1945 9.1729 PRESSURE: 3375400 138.72 -133.214 313.089 -133.214 -279.888 -57.9121 313.089 -57.9112 -109.52 GPRESSURE: 3375400 187.364 -98.9257 321.806 -142.643 -251.829 -122.263 143.849 -49.511 -119.367 PRESSAVG: 3375400 -0.187976 38.9067 6.50517 38.9068 -50.8385 -42.0192 6.50519 -42.019 14.548 GPRESSAVG: 3375400 1.24128 39.5772 6.75009 39.299 -52.1794 -41.5861 6.83856 -40.1574 14.4579 TIMING: 3375400 CPU: 10667.1, 0.00317116/step Wall: 10667.1, 0.00317116/step, 1.43107 hours remaining, 238.269531 MB of memory in use. ENERGY: 3375400 3974.0174 20457.5365 14516.9017 239.1498 -203825.4699 2579.9040 0.0000 0.0000 52332.5114 -109725.4490 300.7557 -162057.9605 -109358.3904 299.0428 -83.5627 -61.2777 759589.4656 -12.1595 -12.1600 PRESSURE: 3375600 108.651 59.8057 19.282 59.8057 -280.106 98.244 19.2812 98.2451 198.296 GPRESSURE: 3375600 162.549 79.5669 6.28913 146.309 -213.918 63.0147 -68.767 142.376 152.02 PRESSAVG: 3375600 106.937 2.2836 6.94711 2.28363 -86.1135 -0.995991 6.94717 -0.99597 -5.07064 GPRESSAVG: 3375600 104.353 1.5452 6.89196 3.66341 -84.7197 -1.10446 4.89854 -0.311984 -4.15487 TIMING: 3375600 CPU: 10667.7, 0.00316563/step Wall: 10667.7, 0.00316563/step, 1.4284 hours remaining, 238.269531 MB of memory in use. ENERGY: 3375600 3953.7660 20412.2405 14441.2868 243.9485 -203327.7202 2633.1700 0.0000 0.0000 52080.0948 -109563.2136 299.3050 -161643.3084 -109194.4862 299.1219 8.9471 33.5500 760092.7985 5.2509 5.1594 PRESSURE: 3375800 -184.162 -53.4552 138.42 -53.4546 -11.6509 40.4008 138.421 40.4009 -215.73 GPRESSURE: 3375800 -145.78 -61.5938 102.694 -134.16 53.0767 189.053 95.1854 -23.7459 -215.644 PRESSAVG: 3375800 37.9564 -27.1069 -28.0796 -27.1068 -25.5377 23.8162 -28.0796 23.8162 -15.419 GPRESSAVG: 3375800 39.4923 -26.6874 -27.0288 -29.5273 -26.0142 24.1091 -28.2113 23.237 -16.1562 TIMING: 3375800 CPU: 10668.3, 0.00317765/step Wall: 10668.3, 0.00317765/step, 1.43365 hours remaining, 238.269531 MB of memory in use. ENERGY: 3375800 4051.8474 20415.4117 14466.1981 234.6338 -203434.4326 2709.7215 0.0000 0.0000 51934.9962 -109621.6238 298.4711 -161556.6200 -109256.1014 299.2389 -137.1808 -102.7824 761341.4082 -1.0001 -0.8927 PRESSURE: 3376000 -65.2922 -28.8477 -205.635 -28.8472 -120.789 121.621 -205.635 121.621 -157.855 GPRESSURE: 3376000 -33.3475 12.2507 -142.602 -84.4588 -78.3922 114.84 -103.007 134.282 -157.175 PRESSAVG: 3376000 87.5724 9.97616 -18.8708 9.9761 -39.338 54.8259 -18.8709 54.8259 -4.23186 GPRESSAVG: 3376000 86.4336 10.3665 -15.7847 11.6282 -39.4666 54.233 -16.0768 53.9957 -2.63795 TIMING: 3376000 CPU: 10669, 0.00316282/step Wall: 10669, 0.00316282/step, 1.42679 hours remaining, 238.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3376000 3994.8829 20422.1821 14352.3686 228.7206 -203403.6790 2460.3337 0.0000 0.0000 52104.6593 -109840.5318 299.4462 -161945.1912 -109473.8531 298.8819 -114.6451 -89.6381 760103.2671 14.6675 14.7763 PRESSURE: 3376200 238.441 -50.7523 150.099 -50.7525 -210.481 -81.8515 150.099 -81.8525 75.3265 GPRESSURE: 3376200 225.338 -1.21967 128.11 -55.1879 -150.825 -55.0601 32.7338 -118.215 131.645 PRESSAVG: 3376200 20.5613 20.7111 32.7079 20.711 -13.2505 33.7953 32.708 33.7952 -9.05095 GPRESSAVG: 3376200 21.1854 22.4541 30.8742 20.0857 -13.0796 33.2505 31.4077 32.7051 -9.42644 TIMING: 3376200 CPU: 10669.6, 0.00318774/step Wall: 10669.6, 0.00318774/step, 1.43785 hours remaining, 238.269531 MB of memory in use. ENERGY: 3376200 3960.7535 20432.1164 14433.9859 249.3096 -203636.5845 2796.5995 0.0000 0.0000 52016.4180 -109747.4017 298.9391 -161763.8197 -109381.5611 298.7173 34.4290 68.7195 761206.1807 -0.5801 -0.4402 LDB: ============= START OF LOAD BALANCING ============== 10682 LDB: ============== END OF LOAD BALANCING =============== 10682 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10682 LDB: ============= START OF LOAD BALANCING ============== 10682.3 LDB: Largest compute 7036 load 0.031410 is 16.0% of average load 0.196132 LDB: Average compute 0.004370 is 2.2% of average load 0.196132 LDB: TIME 10682.3 LOAD: AVG 0.196132 MAX 0.216302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.461 MB LDB: TIME 10682.3 LOAD: AVG 0.196132 MAX 0.216302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.461 MB LDB: TIME 10682.3 LOAD: AVG 0.196132 MAX 0.216302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.461 MB LDB: ============== END OF LOAD BALANCING =============== 10682.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10682.3 PRESSURE: 3376400 -166.462 105.672 303.464 105.671 33.1894 178.612 303.464 178.61 150.061 GPRESSURE: 3376400 -110.483 56.9378 259.384 121.517 47.7891 160.956 176.505 146.633 177.664 PRESSAVG: 3376400 -12.9304 -15.2123 -23.2171 -15.2123 -16.0932 35.193 -23.217 35.1928 8.33788 GPRESSAVG: 3376400 -12.9921 -18.3241 -24.1396 -13.5653 -16.4711 35.7029 -25.7641 36.6864 8.74844 TIMING: 3376400 CPU: 10670.2, 0.00324491/step Wall: 10670.2, 0.00324491/step, 1.46345 hours remaining, 240.925781 MB of memory in use. ENERGY: 3376400 3934.7673 20490.3749 14430.9245 241.6313 -203598.1735 2664.4035 0.0000 0.0000 52304.4217 -109531.6503 300.5942 -161836.0720 -109170.0744 299.0223 5.5961 38.3232 760397.5151 -6.8952 -6.9049 PRESSURE: 3376600 363.577 148.805 28.4442 148.805 -83.4215 -234.024 28.4442 -234.025 96.7629 GPRESSURE: 3376600 262.545 112.907 89.2339 124.768 -39.4331 -223.116 103.288 -114.114 213.408 PRESSAVG: 3376600 15.9193 32.7812 -2.10393 32.7812 -44.2777 -9.07517 -2.10398 -9.07519 -13.9359 GPRESSAVG: 3376600 15.3422 33.5445 -2.19841 30.0693 -43.1399 -7.52679 1.47621 -11.8172 -14.75 TIMING: 3376600 CPU: 10670.9, 0.00316103/step Wall: 10670.9, 0.00316103/step, 1.42545 hours remaining, 240.992188 MB of memory in use. ENERGY: 3376600 3976.4716 20449.6193 14388.9722 254.4139 -203267.4104 2640.4250 0.0000 0.0000 51948.2814 -109609.2269 298.5475 -161557.5084 -109245.2978 299.1859 125.6396 145.5067 761771.1580 -14.0981 -14.1826 PRESSURE: 3376800 91.0608 90.5006 172.682 90.501 -273.025 -285.704 172.682 -285.703 18.997 GPRESSURE: 3376800 155.957 110.981 82.9658 -24.3469 -185.502 -314.01 120.917 -136.385 -57.8893 PRESSAVG: 3376800 7.458 66.6785 17.8376 66.6785 -25.6365 -42.4132 17.8375 -42.4132 19.4091 GPRESSAVG: 3376800 7.89187 66.7717 17.1489 66.79 -26.3183 -43.4379 17.0155 -40.2906 19.28 TIMING: 3376800 CPU: 10671.5, 0.00315092/step Wall: 10671.5, 0.00315092/step, 1.42072 hours remaining, 240.992188 MB of memory in use. ENERGY: 3376800 3960.4797 20378.3979 14455.2522 250.6818 -202805.8327 2299.6482 0.0000 0.0000 51827.9646 -109633.4082 297.8560 -161461.3728 -109282.5868 298.4098 -54.3223 -29.1448 762940.4894 0.4102 0.2845 PRESSURE: 3377000 286.045 44.609 -306.402 44.6086 -74.3366 62.1031 -306.402 62.1028 -47.3319 GPRESSURE: 3377000 280.843 26.8241 -266.563 37.2162 -10.7828 24.3134 -193.168 -66.762 -26.707 PRESSAVG: 3377000 -10.793 4.32604 -14.1963 4.32602 29.0715 -13.201 -14.1964 -13.201 22.1129 GPRESSAVG: 3377000 -9.88129 4.67882 -13.3673 2.73021 28.9314 -14.2782 -15.2749 -12.1436 21.5454 TIMING: 3377000 CPU: 10672.1, 0.00317301/step Wall: 10672.1, 0.00317301/step, 1.4305 hours remaining, 240.992188 MB of memory in use. ENERGY: 3377000 3990.7755 20563.1461 14463.8940 240.6360 -203411.0061 2834.4440 0.0000 0.0000 51721.6194 -109596.4911 297.2449 -161318.1105 -109242.5689 298.4167 54.7922 81.1179 761083.2118 13.4638 13.5318 PRESSURE: 3377200 -169.574 -129.763 -139.74 -129.764 -253.619 109.841 -139.74 109.841 -118.865 GPRESSURE: 3377200 -133.956 -255.174 -180.236 -210.714 -249.738 173.997 -65.7418 70.387 -66.574 PRESSAVG: 3377200 58.5713 21.4839 -29.2723 21.4839 -44.0459 22.6115 -29.2724 22.6115 -3.57742 GPRESSAVG: 3377200 56.9116 20.0497 -26.74 23.5987 -44.1585 23.4318 -28.5291 20.2481 -2.1098 TIMING: 3377200 CPU: 10672.8, 0.00316478/step Wall: 10672.8, 0.00316478/step, 1.42661 hours remaining, 240.992188 MB of memory in use. ENERGY: 3377200 3958.9572 20417.5165 14496.1741 266.4009 -203600.1401 2757.6466 0.0000 0.0000 51823.4841 -109879.9606 297.8303 -161703.4447 -109520.7839 298.7229 -180.6858 -150.0890 760970.4279 3.6493 3.5477 PRESSURE: 3377400 -40.8696 -115.896 -42.4645 -115.896 -198.306 111.434 -42.4643 111.434 -182.437 GPRESSURE: 3377400 14.0762 -153.28 48.5252 -103.55 -82.539 45.9526 -8.82279 109.457 -267.252 PRESSAVG: 3377400 -17.1437 -14.3248 18.7977 -14.3249 16.2483 -22.2748 18.7977 -22.2748 6.53029 GPRESSAVG: 3377400 -16.7053 -12.8964 15.9279 -14.9264 16.1621 -22.4027 18.9962 -20.0518 5.71849 TIMING: 3377400 CPU: 10673.4, 0.00318446/step Wall: 10673.4, 0.00318446/step, 1.43531 hours remaining, 240.992188 MB of memory in use. ENERGY: 3377400 4071.1255 20489.8238 14404.0094 240.6774 -203368.9610 2512.9944 0.0000 0.0000 51853.9614 -109796.3690 298.0054 -161650.3305 -109426.6909 298.8583 -140.5377 -111.9051 762065.3531 1.8783 1.7251 PRESSURE: 3377600 210.838 2.20033 -42.8236 2.19951 288.235 -41.9104 -42.8229 -41.9102 113.685 GPRESSURE: 3377600 244.554 29.9399 -3.21561 163.784 300.798 -100.839 115.763 25.5311 154.819 PRESSAVG: 3377600 -1.5123 -15.6076 38.4072 -15.6076 -22.4602 3.39624 38.4072 3.39626 7.82856 GPRESSAVG: 3377600 -2.08985 -14.8028 39.0224 -16.2714 -22.408 2.8615 39.7629 3.76717 8.02705 TIMING: 3377600 CPU: 10674, 0.00317458/step Wall: 10674, 0.00317458/step, 1.43068 hours remaining, 240.992188 MB of memory in use. ENERGY: 3377600 3907.6052 20556.1008 14416.9145 244.3266 -203673.2167 2654.7156 0.0000 0.0000 51846.3975 -110047.1565 297.9620 -161893.5540 -109677.0408 298.2284 204.2528 233.3904 760884.8398 -5.3813 -5.4903 PRESSURE: 3377800 108.812 50.1433 62.0016 50.1433 105.031 -366.717 62.0021 -366.717 131.024 GPRESSURE: 3377800 232.621 4.00964 75.9927 17.1246 83.8443 -305.883 177.021 -507.499 128.279 PRESSAVG: 3377800 32.9548 -11.3005 -21.8283 -11.3004 -70.4251 -16.8765 -21.8283 -16.8765 15.7207 GPRESSAVG: 3377800 33.2842 -13.6149 -22.2981 -10.7752 -70.8647 -15.534 -22.0189 -19.1192 15.9551 TIMING: 3377800 CPU: 10674.7, 0.00315992/step Wall: 10674.7, 0.00315992/step, 1.42389 hours remaining, 240.992188 MB of memory in use. ENERGY: 3377800 3990.7011 20422.1443 14437.1756 244.4946 -203382.9481 2588.5342 0.0000 0.0000 51704.0789 -109995.8193 297.1441 -161699.8983 -109636.6576 298.0044 114.9557 148.2482 762398.1167 -7.2499 -7.2085 PRESSURE: 3378000 100.847 -60.889 -10.3406 -60.8895 215.839 -39.4774 -10.3409 -39.4777 -146.609 GPRESSURE: 3378000 158.695 13.4166 -84.571 -48.4454 207.016 -68.832 -51.8792 -21.3693 -102.798 PRESSAVG: 3378000 9.46523 -1.16772 9.22192 -1.16768 3.09887 -0.246087 9.22197 -0.246234 -17.2378 GPRESSAVG: 3378000 9.20035 -0.449183 8.15145 -1.77857 3.97367 -1.67761 9.76724 2.44493 -17.9807 TIMING: 3378000 CPU: 10675.3, 0.0031646/step Wall: 10675.3, 0.0031646/step, 1.42583 hours remaining, 240.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3378000 4004.7231 20346.6840 14376.0953 226.1023 -204011.2655 2865.0308 0.0000 0.0000 51888.2299 -110304.4001 298.2024 -162192.6300 -109946.5218 298.2712 56.6926 87.6377 761654.7112 -1.5579 -1.6022 PRESSURE: 3378200 -208.302 -73.2889 -22.7316 -73.2889 -35.9143 70.1469 -22.7316 70.1465 150.807 GPRESSURE: 3378200 -148.721 -103.548 -121.279 -4.8785 16.8274 35.8203 48.2802 60.2142 128.534 PRESSAVG: 3378200 -19.7938 -4.61856 29.4092 -4.6186 17.0531 -38.0128 29.4092 -38.0128 -3.19262 GPRESSAVG: 3378200 -18.2495 -2.7622 30.9109 -4.22213 15.8927 -37.1013 27.9953 -38.3752 -2.96348 TIMING: 3378200 CPU: 10675.9, 0.00318116/step Wall: 10675.9, 0.00318116/step, 1.43311 hours remaining, 240.992188 MB of memory in use. ENERGY: 3378200 3895.1900 20408.2150 14319.1753 228.2282 -203567.9927 2532.9779 0.0000 0.0000 51992.1429 -110192.0634 298.7996 -162184.2063 -109834.5962 297.7706 -31.1363 -1.1198 762946.3182 -1.9778 -1.7734 PRESSURE: 3378400 -23.9176 78.1686 116.797 78.1692 -90.9265 -137.45 116.796 -137.451 79.8028 GPRESSURE: 3378400 37.7136 51.0319 39.095 124.546 -66.4387 -48.1599 175.353 -158.621 80.2158 PRESSAVG: 3378400 -7.27554 19.4675 1.52072 19.4675 56.0851 -4.16273 1.52068 -4.16272 -12.0268 GPRESSAVG: 3378400 -8.06024 17.463 0.369762 20.4654 57.2816 -3.86806 1.47117 -4.73621 -12.2999 TIMING: 3378400 CPU: 10676.6, 0.00319446/step Wall: 10676.6, 0.00319446/step, 1.43893 hours remaining, 240.992188 MB of memory in use. ENERGY: 3378400 3983.4100 20400.4632 14416.7148 237.3715 -203858.2761 2851.7100 0.0000 0.0000 51764.3660 -110204.2406 297.4905 -161968.6066 -109849.6811 297.9028 -11.6805 17.1636 760938.5554 12.2609 12.3072 PRESSURE: 3378600 -183.769 79.0813 -36.1197 79.0815 -170.9 -97.1498 -36.1195 -97.1497 -468.915 GPRESSURE: 3378600 -173.181 77.5957 17.437 71.233 -49.3462 -123.162 -111.585 -90.3132 -520.341 PRESSAVG: 3378600 61.4874 -7.96042 -12.3236 -7.96041 -25.1026 -23.0127 -12.3235 -23.0126 -12.4297 GPRESSAVG: 3378600 63.531 -7.37009 -11.2695 -7.06154 -25.9943 -22.2623 -12.3209 -23.6145 -13.3077 TIMING: 3378600 CPU: 10677.2, 0.00316566/step Wall: 10677.2, 0.00316566/step, 1.42578 hours remaining, 240.992188 MB of memory in use. ENERGY: 3378600 4018.6570 20506.5816 14408.5984 222.2874 -203466.9822 2460.7166 0.0000 0.0000 52012.7248 -109837.4163 298.9178 -161850.1411 -109468.3902 297.9223 -274.5280 -247.6227 763835.3395 7.9850 8.0763 PRESSURE: 3378800 195.949 -37.4095 -41.2762 -37.4087 116.269 -108.789 -41.2757 -108.79 65.0605 GPRESSURE: 3378800 168.161 -73.2615 -67.3892 -5.43058 265.899 -192.527 -12.9706 -88.0554 62.7696 PRESSAVG: 3378800 -30.0193 -28.0586 -66.7951 -28.0586 64.3791 -40.7661 -66.7952 -40.766 16.7438 GPRESSAVG: 3378800 -32.3552 -28.1889 -65.1149 -29.7328 64.955 -42.3818 -68.6138 -40.1242 18.6831 TIMING: 3378800 CPU: 10677.9, 0.00317499/step Wall: 10677.9, 0.00317499/step, 1.4298 hours remaining, 240.992188 MB of memory in use. ENERGY: 3378800 3961.3713 20391.1904 14421.1796 251.1339 -203450.2483 2623.4908 0.0000 0.0000 52189.3306 -109612.5516 299.9328 -161801.8822 -109251.9672 298.5117 125.7594 165.6098 761065.2673 17.0345 17.0943 PRESSURE: 3379000 -183.692 134.64 166.075 134.64 65.9305 -53.8467 166.075 -53.8472 -10.3806 GPRESSURE: 3379000 -97.4062 22.3922 90.4291 174.617 72.0065 -35.2869 -7.35052 -52.6653 -4.03301 PRESSAVG: 3379000 -49.9208 -5.16243 -28.3639 -5.16245 31.2626 -9.39807 -28.364 -9.39808 7.10902 GPRESSAVG: 3379000 -48.8193 -5.23422 -29.4478 -4.13069 30.7402 -8.60432 -27.7847 -9.64941 6.34705 TIMING: 3379000 CPU: 10678.5, 0.00315982/step Wall: 10678.5, 0.00315982/step, 1.4228 hours remaining, 240.992188 MB of memory in use. ENERGY: 3379000 3936.8887 20570.3612 14359.5121 244.9841 -203293.9192 2493.4205 0.0000 0.0000 51954.4022 -109734.3504 298.5827 -161688.7526 -109380.5250 299.7148 -42.7142 -9.8109 761345.9991 -3.8497 -3.9107 PRESSURE: 3379200 -551.232 -159.976 278.631 -159.975 -182.804 -24.9097 278.632 -24.9098 -168.346 GPRESSURE: 3379200 -578.415 -175.71 272.568 -205.152 -166.009 -23.1932 273.35 137.096 -81.4666 PRESSAVG: 3379200 -15.1432 -44.598 49.7237 -44.598 41.9976 25.7563 49.7237 25.7563 27.4111 GPRESSAVG: 3379200 -15.96 -44.1767 48.6864 -45.8115 42.4077 24.4257 51.4531 27.2759 28.0965 TIMING: 3379200 CPU: 10679.1, 0.00316052/step Wall: 10679.1, 0.00316052/step, 1.42294 hours remaining, 240.992188 MB of memory in use. ENERGY: 3379200 4061.5705 20479.9834 14349.7397 250.5192 -203189.7521 2317.2535 0.0000 0.0000 52141.7181 -109588.9677 299.6592 -161730.6858 -109226.9643 299.0045 -300.7940 -275.2968 762420.7447 18.0885 18.1814 PRESSURE: 3379400 -53.266 85.931 4.94968 85.9317 236.226 146.272 4.94831 146.272 301.719 GPRESSURE: 3379400 -56.3343 76.6232 -68.6888 41.3612 274.122 136.527 29.9506 136.343 373.11 PRESSAVG: 3379400 -50.5779 -23.6701 -13.4774 -23.67 23.6261 -7.60999 -13.4774 -7.60998 -7.98999 GPRESSAVG: 3379400 -50.3838 -24.7527 -11.9332 -22.3432 23.4815 -6.68532 -13.4891 -6.95745 -8.2015 TIMING: 3379400 CPU: 10679.7, 0.00314651/step Wall: 10679.7, 0.00314651/step, 1.41645 hours remaining, 240.992188 MB of memory in use. ENERGY: 3379400 3935.6513 20394.7947 14349.2724 240.8989 -203711.0138 2738.7802 0.0000 0.0000 52323.2886 -109728.3278 300.7027 -162051.6164 -109358.9132 298.9991 161.5596 196.9660 759908.7308 -11.6473 -11.7013 PRESSURE: 3379600 24.174 -61.1168 296.19 -61.1161 117.737 80.7069 296.189 80.7074 -35.2979 GPRESSURE: 3379600 48.9009 -88.5998 261.677 -78.0706 213.809 -47.1561 165.753 -1.0344 -87.8943 PRESSAVG: 3379600 -0.630793 -35.0651 32.1685 -35.0651 61.4774 37.1198 32.1685 37.1197 -23.3633 GPRESSAVG: 3379600 -0.394791 -34.7052 30.6839 -34.2678 61.9769 36.2281 30.1708 35.5406 -23.6756 TIMING: 3379600 CPU: 10680.4, 0.00314341/step Wall: 10680.4, 0.00314341/step, 1.41488 hours remaining, 240.992188 MB of memory in use. ENERGY: 3379600 3963.1272 20572.9306 14404.6721 250.1206 -203172.9346 2468.7028 0.0000 0.0000 51834.7578 -109678.6236 297.8951 -161513.3814 -109323.1766 298.9501 35.5378 58.2717 761729.5971 12.4944 12.6355 PRESSURE: 3379800 -39.2191 -26.9153 200.094 -26.9153 74.9134 83.182 200.094 83.1816 211.724 GPRESSURE: 3379800 -67.5148 67.1726 240.015 -96.516 159.627 55.9027 223.886 11.5275 237.509 PRESSAVG: 3379800 -51.1996 -37.4012 66.6172 -37.4012 40.4704 -20.4414 66.6171 -20.4414 1.17571 GPRESSAVG: 3379800 -51.8263 -36.5383 67.9532 -39.3423 41.1754 -18.579 67.0128 -21.0014 1.20903 TIMING: 3379800 CPU: 10681, 0.00313239/step Wall: 10681, 0.00313239/step, 1.40975 hours remaining, 240.992188 MB of memory in use. ENERGY: 3379800 4008.2737 20485.5771 14448.8493 228.0632 -203450.3174 2652.8185 0.0000 0.0000 52032.2547 -109594.4809 299.0301 -161626.7356 -109237.3643 298.7474 82.4727 109.8735 759899.6696 -3.1845 -3.1473 PRESSURE: 3380000 53.7573 36.8584 -98.5582 36.8576 -266.482 38.9275 -98.5583 38.927 85.0279 GPRESSURE: 3380000 -53.5367 -34.7725 -24.4963 21.1501 -114.002 43.9979 -138.482 10.5699 116.235 PRESSAVG: 3380000 -34.3571 33.3516 14.4651 33.3516 7.01443 31.6664 14.4651 31.6664 17.5196 GPRESSAVG: 3380000 -34.9829 33.6056 14.9105 35.0925 6.51469 31.7847 13.4029 32.6199 17.8617 TIMING: 3380000 CPU: 10681.6, 0.00313835/step Wall: 10681.6, 0.00313835/step, 1.41226 hours remaining, 240.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3380000 3987.3917 20589.2021 14445.0487 240.9908 -203072.5773 2609.1538 0.0000 0.0000 51766.3819 -109434.4083 297.5021 -161200.7902 -109084.0517 298.6512 -42.5656 -17.1014 761169.1614 -3.2744 -3.5355 PRESSURE: 3380200 -155.007 179.013 -4.26736 179.013 -318.588 191.039 -4.26785 191.041 152.757 GPRESSURE: 3380200 -106.818 88.3818 -22.9837 126.144 -196.314 127.84 -35.1748 173.186 47.29 PRESSAVG: 3380200 1.4226 33.3332 2.33452 33.3332 -3.67226 -45.3023 2.3345 -45.3024 -6.20578 GPRESSAVG: 3380200 1.21729 32.8028 0.199636 35.0181 -4.15947 -47.2321 5.08361 -46.2243 -5.57184 TIMING: 3380200 CPU: 10682.3, 0.00314211/step Wall: 10682.3, 0.00314211/step, 1.41378 hours remaining, 240.992188 MB of memory in use. ENERGY: 3380200 3977.0114 20546.8465 14477.2805 238.5957 -203041.0970 2259.8898 0.0000 0.0000 52148.8604 -109392.6128 299.7002 -161541.4732 -109023.5925 299.1657 -106.9459 -85.2805 761051.0118 -2.8185 -2.8380 LDB: ============= START OF LOAD BALANCING ============== 10694.7 LDB: ============== END OF LOAD BALANCING =============== 10694.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10694.7 LDB: ============= START OF LOAD BALANCING ============== 10695 LDB: Largest compute 7068 load 0.032730 is 16.7% of average load 0.196158 LDB: Average compute 0.004370 is 2.2% of average load 0.196158 LDB: TIME 10695 LOAD: AVG 0.196158 MAX 0.215672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.277 MB LDB: TIME 10695 LOAD: AVG 0.196158 MAX 0.215672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.48 MB LDB: TIME 10695 LOAD: AVG 0.196158 MAX 0.215672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.48 MB LDB: ============== END OF LOAD BALANCING =============== 10695 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10695 PRESSURE: 3380400 -302.774 -276.455 203.198 -276.455 -124.458 -201.327 203.198 -201.326 -239.419 GPRESSURE: 3380400 -234.539 -178.931 175.427 -231.11 -85.5085 -104.405 144.192 -146.447 -249.87 PRESSAVG: 3380400 -52.7289 -3.31277 59.9504 -3.31275 44.084 -27.0653 59.9504 -27.0653 -3.9013 GPRESSAVG: 3380400 -51.1679 -3.59754 62.2694 -4.5716 44.4467 -24.7581 59.7643 -26.8602 -5.24665 TIMING: 3380400 CPU: 10682.9, 0.00324741/step Wall: 10682.9, 0.00324741/step, 1.46097 hours remaining, 237.949219 MB of memory in use. ENERGY: 3380400 4040.1254 20423.5658 14415.0570 243.1267 -203501.0106 2486.0915 0.0000 0.0000 52415.8594 -109477.1848 301.2347 -161893.0441 -109109.8393 299.3388 -222.2169 -189.9727 760244.7857 -4.1820 -3.9893 PRESSURE: 3380600 -97.8521 -54.4505 120.895 -54.4504 195.086 -254.794 120.895 -254.794 81.3354 GPRESSURE: 3380600 -52.88 -18.3135 108.411 -51.4028 189.141 -302.531 106.214 -166.243 128.268 PRESSAVG: 3380600 -48.9595 -0.0152168 60.5439 -0.0152595 5.26246 -23.1899 60.5439 -23.1899 9.05534 GPRESSAVG: 3380600 -48.9855 -0.0314473 58.1816 -0.906233 4.51496 -24.2162 60.4839 -20.7251 9.70993 TIMING: 3380600 CPU: 10683.5, 0.00314159/step Wall: 10683.5, 0.00314159/step, 1.41319 hours remaining, 237.949219 MB of memory in use. ENERGY: 3380600 3930.2534 20435.6420 14325.0840 233.3468 -203377.2513 2451.8773 0.0000 0.0000 52379.1583 -109621.8895 301.0237 -162001.0478 -109250.1293 299.5370 59.5231 88.1763 759137.3874 -11.5472 -11.5869 PRESSURE: 3380800 222.746 135.821 81.7744 135.821 432.768 160.883 81.7748 160.884 483.157 GPRESSURE: 3380800 288.26 75.5118 93.6285 153.086 398.952 149.241 38.0926 20.4699 540.789 PRESSAVG: 3380800 7.01219 -10.2562 17.7465 -10.2563 -10.7826 -41.4686 17.7466 -41.4686 12.4337 GPRESSAVG: 3380800 7.59134 -9.85948 20.6623 -9.4658 -11.2085 -40.2657 16.9957 -43.2213 12.593 TIMING: 3380800 CPU: 10684.2, 0.00313051/step Wall: 10684.2, 0.00313051/step, 1.40804 hours remaining, 237.949219 MB of memory in use. ENERGY: 3380800 3988.9558 20543.9093 14405.6298 230.7559 -203816.0576 2837.6620 0.0000 0.0000 52015.0853 -109794.0595 298.9314 -161809.1448 -109429.3094 299.1620 379.5570 409.3335 760491.2617 2.8878 2.9919 PRESSURE: 3381000 -111.484 -62.5568 121.013 -62.5572 -26.8695 48.5194 121.013 48.5186 37.5815 GPRESSURE: 3381000 -13.7809 41.9976 79.1686 65.8799 1.45462 81.762 290.612 133.602 -4.95397 PRESSAVG: 3381000 -13.7144 -9.66179 29.6696 -9.66178 9.83488 20.8727 29.6696 20.8727 12.1091 GPRESSAVG: 3381000 -13.7789 -8.84162 27.5082 -10.4749 10.4599 18.0907 31.5114 21.4549 11.6401 TIMING: 3381000 CPU: 10684.8, 0.00313488/step Wall: 10684.8, 0.00313488/step, 1.40982 hours remaining, 237.949219 MB of memory in use. ENERGY: 3381000 4059.3824 20517.9369 14429.9135 257.7853 -203364.1850 2624.5946 0.0000 0.0000 51774.2309 -109700.3414 297.5472 -161474.5723 -109342.6185 299.1330 -33.5908 -5.7601 762082.3862 2.7432 2.7737 PRESSURE: 3381200 -169.066 -28.0214 -99.3765 -28.0213 -6.76904 105.708 -99.3768 105.708 -82.0028 GPRESSURE: 3381200 -146.015 19.8995 -89.5487 18.205 17.9689 217.645 -58.0723 83.133 -64.3494 PRESSAVG: 3381200 -24.5816 -69.3263 43.9134 -69.3263 31.7213 25.4404 43.9134 25.4404 -0.83609 GPRESSAVG: 3381200 -24.9805 -68.9944 44.803 -68.3087 30.0862 27.3294 41.6513 23.0281 0.393313 TIMING: 3381200 CPU: 10685.4, 0.00313245/step Wall: 10685.4, 0.00313245/step, 1.40856 hours remaining, 237.949219 MB of memory in use. ENERGY: 3381200 3971.3207 20481.2978 14428.3723 232.7500 -203693.0980 2754.7450 0.0000 0.0000 51990.7242 -109833.8880 298.7914 -161824.6122 -109476.9528 299.0349 -85.9461 -64.1318 759611.5012 2.1012 1.8330 PRESSURE: 3381400 87.1775 -24.9557 76.3872 -24.9554 144.836 -68.9322 76.388 -68.9318 361.204 GPRESSURE: 3381400 167.59 -89.0713 151.569 -7.62232 212.975 -55.4508 17.7036 -29.4791 303.373 PRESSAVG: 3381400 -4.91427 5.68196 17.1146 5.68203 -0.306001 7.74875 17.1146 7.74876 6.51279 GPRESSAVG: 3381400 -5.00454 3.70005 17.2926 4.73861 1.73423 7.09814 15.4829 9.47569 4.7745 TIMING: 3381400 CPU: 10686, 0.00311618/step Wall: 10686, 0.00311618/step, 1.40107 hours remaining, 237.949219 MB of memory in use. ENERGY: 3381400 3978.3740 20486.3052 14326.1004 254.1042 -203402.1553 2687.9483 0.0000 0.0000 51978.3534 -109690.9696 298.7203 -161669.3230 -109326.8846 298.7668 197.7392 227.9790 759970.9323 0.4308 0.5014 PRESSURE: 3381600 19.4919 93.3883 -127.923 93.3887 -106.284 -175.411 -127.923 -175.41 70.9084 GPRESSURE: 3381600 87.0553 114.931 -40.7901 107.048 -83.1506 -228.108 -54.6017 -63.9766 52.1323 PRESSAVG: 3381600 53.1737 14.6702 35.56 14.6702 9.50833 -5.30411 35.56 -5.30409 25.3824 GPRESSAVG: 3381600 52.7934 14.5093 35.4509 15.418 9.39431 -5.98229 37.8144 -3.19648 25.8626 TIMING: 3381600 CPU: 10686.7, 0.00312391/step Wall: 10686.7, 0.00312391/step, 1.40437 hours remaining, 237.949219 MB of memory in use. ENERGY: 3381600 3978.9541 20468.4425 14409.1519 234.3241 -202946.8521 2497.7588 0.0000 0.0000 51653.5217 -109704.6990 296.8535 -161358.2208 -109358.0913 299.2162 -5.2947 18.6790 761344.2720 29.3548 29.3501 PRESSURE: 3381800 -129.36 -28.78 -92.9057 -28.7807 -169.219 89.2683 -92.9054 89.2672 -115.692 GPRESSURE: 3381800 -88.8786 -25.1101 -85.7828 -75.1349 -209.456 -9.68708 -11.7428 -38.5954 -41.4274 PRESSAVG: 3381800 16.2114 26.3639 8.79721 26.3639 -3.2419 -15.2174 8.79718 -15.2173 17.4993 GPRESSAVG: 3381800 17.157 25.8631 7.52685 26.9594 -3.59704 -14.963 9.93247 -17.5297 16.689 TIMING: 3381800 CPU: 10687.3, 0.00313368/step Wall: 10687.3, 0.00313368/step, 1.40859 hours remaining, 237.949219 MB of memory in use. ENERGY: 3381800 3972.3235 20422.1973 14382.7880 261.6228 -203017.3269 2434.2487 0.0000 0.0000 52013.1631 -109530.9835 298.9204 -161544.1466 -109165.9122 298.7534 -138.0904 -113.2540 761916.7888 10.1563 10.0830 PRESSURE: 3382000 -219.503 -255.033 49.1259 -255.032 -58.724 48.3575 49.1269 48.3584 -225.627 GPRESSURE: 3382000 -286.906 -180.978 99.5215 -193.473 25.1743 -13.482 -23.7002 109.303 -159.367 PRESSAVG: 3382000 -15.177 2.78277 -49.986 2.78276 55.93 2.44243 -49.9859 2.44242 5.52421 GPRESSAVG: 3382000 -16.622 4.77322 -46.8456 2.09534 56.1699 0.918491 -51.7496 3.17691 6.40761 TIMING: 3382000 CPU: 10687.9, 0.00313091/step Wall: 10687.9, 0.00313091/step, 1.40717 hours remaining, 237.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3382000 3998.8206 20548.3201 14443.3043 241.5511 -203449.4221 2623.0966 0.0000 0.0000 52113.3107 -109481.0187 299.4959 -161594.3294 -109119.5610 298.7465 -167.9514 -140.3662 761227.2653 15.4257 15.3185 PRESSURE: 3382200 -202.817 -10.1571 148.332 -10.1569 -295.047 -19.6899 148.332 -19.6907 105.547 GPRESSURE: 3382200 -199.205 37.1314 149.482 46.2664 -191.227 37.2021 177.586 -61.857 92.117 PRESSAVG: 3382200 -65.9794 30.7023 28.4607 30.7023 32.5565 38.9992 28.4606 38.9991 -1.09433 GPRESSAVG: 3382200 -65.0392 29.8676 25.8304 30.7158 32.5755 40.7898 29.1782 40.6632 -2.2508 TIMING: 3382200 CPU: 10688.5, 0.0031481/step Wall: 10688.5, 0.0031481/step, 1.41472 hours remaining, 237.949219 MB of memory in use. ENERGY: 3382200 4000.4524 20468.9229 14367.0671 233.5755 -203275.5856 2567.9070 0.0000 0.0000 52259.6360 -109378.0247 300.3368 -161637.6607 -109016.7440 299.2473 -130.7724 -99.4382 761757.7280 -11.5057 -11.5715 PRESSURE: 3382400 41.5462 13.4773 -18.0359 13.4772 -361.537 215.77 -18.0351 215.77 62.9737 GPRESSURE: 3382400 123.112 -8.41019 -22.86 -89.0848 -294.865 240.73 -90.7078 165.839 -2.62615 PRESSAVG: 3382400 -15.513 -1.20961 14.2624 -1.20962 32.8841 26.64 14.2623 26.6399 -1.39211 GPRESSAVG: 3382400 -15.1552 -0.370273 14.7484 -2.11439 31.9583 26.185 14.3126 25.1776 -0.755935 TIMING: 3382400 CPU: 10689.2, 0.00312935/step Wall: 10689.2, 0.00312935/step, 1.40612 hours remaining, 237.949219 MB of memory in use. ENERGY: 3382400 3995.0454 20465.4119 14475.8090 248.9065 -203409.2563 2510.8647 0.0000 0.0000 52269.9048 -109443.3140 300.3959 -161713.2187 -109069.8611 299.7502 -85.6725 -58.1263 760569.5281 5.3263 5.3491 PRESSURE: 3382600 159.588 -52.8739 7.05455 -52.8733 -266.981 -107.535 7.05387 -107.535 -278.529 GPRESSURE: 3382600 158.71 -127.308 -88.254 4.39948 -221.197 -122.146 121.855 -156.69 -235.884 PRESSAVG: 3382600 36.8301 14.6267 20.0316 14.6268 -18.4028 28.1855 20.0317 28.1854 11.9846 GPRESSAVG: 3382600 36.64 14.1856 19.2162 13.2505 -18.4981 29.7926 20.1298 26.4531 12.805 TIMING: 3382600 CPU: 10689.8, 0.00312219/step Wall: 10689.8, 0.00312219/step, 1.40273 hours remaining, 237.949219 MB of memory in use. ENERGY: 3382600 4043.4485 20600.7538 14415.6268 249.0404 -202941.6948 2504.8055 0.0000 0.0000 51772.9265 -109355.0933 297.5397 -161128.0198 -108999.3379 299.7180 -128.6408 -99.4569 761556.2108 10.1373 10.3156 PRESSURE: 3382800 -195.255 -61.632 120.036 -61.6315 -322.832 66.0375 120.036 66.0372 70.9672 GPRESSURE: 3382800 -126.233 83.4002 181.661 -6.06247 -350.276 187.226 -23.1728 -72.5165 92.8827 PRESSAVG: 3382800 27.4269 9.37911 36.7158 9.37912 -48.9081 18.6845 36.7158 18.6845 -4.47234 GPRESSAVG: 3382800 26.918 10.5723 36.9826 10.7534 -48.4299 17.2571 35.5822 19.743 -4.86707 TIMING: 3382800 CPU: 10690.4, 0.00315141/step Wall: 10690.4, 0.00315141/step, 1.41568 hours remaining, 237.949219 MB of memory in use. ENERGY: 3382800 4038.4801 20608.5596 14401.3494 255.7843 -203104.5387 2473.9634 0.0000 0.0000 51918.7627 -109407.6391 298.3778 -161326.4018 -109040.0713 298.9030 -149.0399 -127.8754 762213.1528 -8.6512 -8.7930 PRESSURE: 3383000 -235.803 85.7653 -25.8008 85.7641 -356.018 48.8009 -25.8008 48.8008 -181.737 GPRESSURE: 3383000 -276.709 8.44314 -19.2505 138.109 -279.132 87.6755 -45.0971 9.04861 -133.2 PRESSAVG: 3383000 17.3059 -4.61057 7.10647 -4.61056 -19.8106 -38.2852 7.10649 -38.2851 -12.7937 GPRESSAVG: 3383000 18.3996 -5.20603 8.04163 -4.42682 -20.1144 -38.9171 7.5204 -37.9306 -13.2549 TIMING: 3383000 CPU: 10691.1, 0.00314749/step Wall: 10691.1, 0.00314749/step, 1.41375 hours remaining, 237.949219 MB of memory in use. ENERGY: 3383000 4064.9341 20566.3698 14400.1351 255.7344 -202769.3251 2168.5917 0.0000 0.0000 51892.2541 -109421.3059 298.2255 -161313.5600 -109064.2194 298.9862 -257.8525 -229.6803 762288.2564 -5.0995 -4.9899 PRESSURE: 3383200 284.125 75.4468 -40.1086 75.446 -84.3443 61.4131 -40.1084 61.4126 -220.28 GPRESSURE: 3383200 319.309 106.219 -48.3386 47.5422 -27.3438 33.9708 12.9487 182.276 -228.791 PRESSAVG: 3383200 60.8987 24.4581 1.75124 24.4581 -32.6041 27.2595 1.7513 27.2596 -10.1537 GPRESSAVG: 3383200 60.7809 22.98 2.44803 25.7654 -32.6594 27.5145 1.82134 27.6371 -10.0024 TIMING: 3383200 CPU: 10691.7, 0.0031353/step Wall: 10691.7, 0.0031353/step, 1.4081 hours remaining, 237.949219 MB of memory in use. ENERGY: 3383200 3870.2438 20443.2114 14395.5442 249.4802 -203458.4315 2773.7682 0.0000 0.0000 52253.4038 -109472.7800 300.3010 -161726.1838 -109113.8155 298.9194 -6.8332 21.0580 760816.3659 6.0470 6.0397 PRESSURE: 3383400 67.1868 -160.619 39.8622 -160.62 -59.0642 -213.733 39.8627 -213.733 -170.019 GPRESSURE: 3383400 172.357 -182.904 99.1068 -156.39 -71.6731 -234.571 60.0188 -172.489 -188.236 PRESSAVG: 3383400 68.3683 20.3094 -27.4298 20.3094 -56.2203 32.2747 -27.4298 32.2747 14.7975 GPRESSAVG: 3383400 68.3622 20.974 -28.4674 17.0613 -56.5086 33.9051 -27.8348 30.1499 15.145 TIMING: 3383400 CPU: 10692.3, 0.00315161/step Wall: 10692.3, 0.00315161/step, 1.41525 hours remaining, 237.949219 MB of memory in use. ENERGY: 3383400 3947.7306 20531.1044 14467.1766 235.1468 -203397.5073 2561.5924 0.0000 0.0000 51952.7981 -109701.9585 298.5734 -161654.7566 -109339.6566 299.1085 -53.9656 -29.1838 761631.5697 8.9818 8.9996 PRESSURE: 3383600 -168.293 -58.32 -34.8391 -58.3211 -94.4908 -20.2278 -34.8393 -20.2276 1.37794 GPRESSURE: 3383600 -113.931 -57.2743 -65.8599 -165.861 -104.339 -23.7848 2.3354 -51.3178 48.3901 PRESSAVG: 3383600 14.7366 -8.50369 -64.2871 -8.50366 -27.8181 -1.12383 -64.287 -1.12382 -13.1458 GPRESSAVG: 3383600 14.584 -6.6289 -64.8394 -7.85951 -28.2492 -1.84949 -62.3432 -0.570929 -12.5058 TIMING: 3383600 CPU: 10692.9, 0.00314076/step Wall: 10692.9, 0.00314076/step, 1.4102 hours remaining, 237.949219 MB of memory in use. ENERGY: 3383600 4016.7476 20476.5177 14404.1719 245.0591 -202827.0360 2217.6324 0.0000 0.0000 51899.2297 -109567.6776 298.2656 -161466.9073 -109207.4284 298.4854 -87.1353 -56.6268 762359.4416 -8.7425 -8.7237 PRESSURE: 3383800 -16.8921 -147.801 -161.637 -147.801 -25.1467 -158.231 -161.637 -158.231 306.975 GPRESSURE: 3383800 23.5217 -122.951 -258.714 -225.079 -8.89825 -117.027 -60.1894 -102.188 326.77 PRESSAVG: 3383800 57.67 -34.3356 -27.4627 -34.3356 -24.0783 21.233 -27.4627 21.2331 -7.37628 GPRESSAVG: 3383800 56.6391 -37.3604 -29.7006 -34.1038 -23.3711 20.9673 -27.7859 21.7886 -7.0784 TIMING: 3383800 CPU: 10693.6, 0.00316073/step Wall: 10693.6, 0.00316073/step, 1.41899 hours remaining, 237.949219 MB of memory in use. ENERGY: 3383800 3928.2456 20585.5814 14374.1629 235.9284 -203431.9745 2800.7743 0.0000 0.0000 52010.8703 -109496.4116 298.9072 -161507.2819 -109128.5232 299.5070 88.3120 113.7980 761353.6330 8.7385 8.7299 PRESSURE: 3384000 -106.813 13.1429 40.3584 13.1432 6.42753 -258.86 40.3578 -258.86 110.608 GPRESSURE: 3384000 -31.1398 79.1203 52.8209 65.2517 40.9966 -173.355 119.069 -101.796 103.935 PRESSAVG: 3384000 8.31121 -24.4979 -11.872 -24.4979 -11.1178 32.0145 -11.872 32.0145 -12.0196 GPRESSAVG: 3384000 8.82434 -23.2496 -10.1353 -23.7961 -10.7169 32.4415 -13.2894 32.7169 -13.648 TIMING: 3384000 CPU: 10694.2, 0.00316189/step Wall: 10694.2, 0.00316189/step, 1.41934 hours remaining, 237.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3384000 4058.0644 20690.3224 14405.1386 244.1089 -203326.9995 2485.7005 0.0000 0.0000 52032.3318 -109411.3330 299.0305 -161443.6648 -109062.4031 299.4211 3.4075 37.9306 760530.0751 -4.9421 -5.1802 PRESSURE: 3384200 33.2242 306.94 98.9838 306.939 -24.0355 47.1085 98.9836 47.1078 -57.7782 GPRESSURE: 3384200 92.7616 253.156 189.882 260.757 -3.88836 32.3214 54.9914 50.8769 -55.5268 PRESSAVG: 3384200 11.5505 -3.63085 -21.5443 -3.63081 -40.4164 -13.663 -21.5443 -13.6629 5.13746 GPRESSAVG: 3384200 10.9326 -2.63061 -21.2144 -6.14316 -40.3578 -13.6213 -19.022 -14.1921 5.11074 TIMING: 3384200 CPU: 10694.8, 0.00316869/step Wall: 10694.8, 0.00316869/step, 1.42221 hours remaining, 237.949219 MB of memory in use. ENERGY: 3384200 3969.7477 20510.7057 14443.8489 230.2772 -203466.2632 2614.9680 0.0000 0.0000 52185.8831 -109510.8325 299.9130 -161696.7156 -109158.5641 299.8054 -16.1965 11.1155 762438.4257 -7.9095 -8.1048 LDB: ============= START OF LOAD BALANCING ============== 10707.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10707.2 LDB: =============== DONE WITH MIGRATION ================ 10707.2 LDB: ============= START OF LOAD BALANCING ============== 10707.6 LDB: Largest compute 7068 load 0.032775 is 16.7% of average load 0.196035 LDB: Average compute 0.004388 is 2.2% of average load 0.196035 LDB: TIME 10707.6 LOAD: AVG 0.196035 MAX 0.216246 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 10707.6 LOAD: AVG 0.196035 MAX 0.216246 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: TIME 10707.6 LOAD: AVG 0.196035 MAX 0.216246 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10707.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10707.6 PRESSURE: 3384400 -364.439 -31.2605 -70.6349 -31.2603 -294.088 -7.3974 -70.6342 -7.3966 -843.196 GPRESSURE: 3384400 -279.785 3.27792 -44.8324 -42.8887 -306.902 -27.4199 -19.7171 93.654 -837.674 PRESSAVG: 3384400 83.0616 3.65332 40.1962 3.65337 -63.1969 -5.57304 40.1962 -5.57298 0.10454 GPRESSAVG: 3384400 84.1173 3.78579 41.3266 4.30072 -63.1469 -5.91327 36.6176 -5.98501 -1.23185 TIMING: 3384400 CPU: 10695.5, 0.00323831/step Wall: 10695.5, 0.00323831/step, 1.45328 hours remaining, 238.468750 MB of memory in use. ENERGY: 3384400 4076.4687 20493.6481 14410.4208 251.7815 -203005.9516 2209.0081 0.0000 0.0000 52229.0656 -109335.5589 300.1612 -161564.6244 -108973.3278 299.9868 -500.5742 -474.7867 762230.7438 6.6564 6.5795 PRESSURE: 3384600 -55.693 15.0232 -74.8494 15.0229 -34.6172 -30.2465 -74.8504 -30.247 -145.753 GPRESSURE: 3384600 -57.8857 123.927 -17.5752 -113.743 38.1653 22.2933 -120.369 -5.56073 -136.884 PRESSAVG: 3384600 17.1857 13.4994 -5.79091 13.4995 -58.5918 73.8194 -5.79092 73.8194 -5.04177 GPRESSAVG: 3384600 14.8591 12.3987 -7.08378 12.9549 -58.2881 74.4417 -3.5492 73.1046 -3.80217 TIMING: 3384600 CPU: 10696.1, 0.00314698/step Wall: 10696.1, 0.00314698/step, 1.41212 hours remaining, 238.671875 MB of memory in use. ENERGY: 3384600 3984.6784 20445.2566 14470.4854 248.7603 -203116.1265 2598.6635 0.0000 0.0000 51972.3115 -109395.9707 298.6856 -161368.2822 -109028.7248 299.6902 -78.6877 -52.2015 762279.0563 -15.4826 -15.7437 PRESSURE: 3384800 -58.3305 -64.5466 -97.7066 -64.5467 -116.85 287.313 -97.7067 287.313 -194.924 GPRESSURE: 3384800 -59.5256 -79.6456 -95.5775 56.4011 -135.608 323.689 -102.2 237.385 -92.9603 PRESSAVG: 3384800 30.0397 -16.841 20.39 -16.8411 -7.3721 19.0102 20.39 19.0103 -18.4396 GPRESSAVG: 3384800 31.7943 -15.7309 20.0612 -14.1389 -8.62986 18.0286 21.5955 20.3896 -18.9945 TIMING: 3384800 CPU: 10696.7, 0.00315493/step Wall: 10696.7, 0.00315493/step, 1.41551 hours remaining, 238.671875 MB of memory in use. ENERGY: 3384800 3982.7839 20458.2242 14478.8333 260.8470 -203336.4190 2260.3759 0.0000 0.0000 52364.8725 -109530.4822 300.9416 -161895.3548 -109155.8772 299.3831 -123.3679 -96.0313 759986.9675 1.4093 1.3900 PRESSURE: 3385000 215.872 -198.144 -43.0572 -198.144 0.798205 8.88002 -43.057 8.88004 147.853 GPRESSURE: 3385000 321.975 -156.588 79.9097 -167.937 -3.19156 3.39292 11.6468 125.329 107.994 PRESSAVG: 3385000 -26.26 -3.65108 26.362 -3.65115 -13.9795 57.7462 26.362 57.7462 8.17731 GPRESSAVG: 3385000 -27.028 -3.25238 27.1926 -4.38979 -12.8142 56.9684 25.4029 56.8878 7.81471 TIMING: 3385000 CPU: 10697.4, 0.00314072/step Wall: 10697.4, 0.00314072/step, 1.40896 hours remaining, 238.671875 MB of memory in use. ENERGY: 3385000 4081.7997 20560.0416 14376.4509 235.2612 -203630.9068 2501.9716 0.0000 0.0000 52069.3537 -109806.0282 299.2433 -161875.3819 -109440.0620 299.1754 121.5076 142.2593 760334.9768 -10.6874 -10.6758 PRESSURE: 3385200 75.4945 72.9594 97.4176 72.9597 -63.8308 -65.988 97.417 -65.9881 47.1194 GPRESSURE: 3385200 14.0869 164.575 89.0737 -8.7396 107.669 -45.8066 72.3362 -59.9338 9.67269 PRESSAVG: 3385200 74.2851 -1.62074 0.387459 -1.62074 -66.5258 -23.2793 0.38744 -23.2794 8.01846 GPRESSAVG: 3385200 73.5724 -1.61014 0.927669 -2.09317 -66.9359 -21.4412 -0.8841 -23.9683 8.59481 TIMING: 3385200 CPU: 10698, 0.0031231/step Wall: 10698, 0.0031231/step, 1.40089 hours remaining, 238.671875 MB of memory in use. ENERGY: 3385200 4046.2576 20554.0734 14439.4253 224.1415 -203361.7032 2402.5286 0.0000 0.0000 51948.5657 -109746.7111 298.5491 -161695.2768 -109381.2829 298.6438 19.5944 43.8096 759145.3403 5.2593 5.0771 PRESSURE: 3385400 69.6419 -35.8293 -121.25 -35.8289 68.1892 50.3435 -121.25 50.342 614.307 GPRESSURE: 3385400 179.814 -49.3426 -189.804 -49.2354 130.969 94.3635 -80.7443 16.1931 537.811 PRESSAVG: 3385400 16.0179 6.01401 -46.1253 6.01409 1.64885 20.2795 -46.1252 20.2796 11.6701 GPRESSAVG: 3385400 16.5532 4.97382 -45.3142 3.96018 1.88039 20.6549 -47.4762 20.6476 11.1416 TIMING: 3385400 CPU: 10698.6, 0.003141/step Wall: 10698.6, 0.003141/step, 1.40874 hours remaining, 238.671875 MB of memory in use. ENERGY: 3385400 3919.4092 20525.1726 14489.4923 239.7258 -203704.2732 2712.4298 0.0000 0.0000 52220.6864 -109597.3570 300.1130 -161818.0434 -109227.6458 298.9012 250.7127 282.8646 759901.6570 9.7790 9.8584 PRESSURE: 3385600 134.711 -18.9735 -280.607 -18.9735 82.7367 -114.449 -280.608 -114.449 -302.668 GPRESSURE: 3385600 120.099 -81.0151 -202.26 -26.4291 115.424 -111.099 -241.839 -132.15 -222.027 PRESSAVG: 3385600 42.2497 -11.7438 -5.07614 -11.7438 -49.0867 4.60348 -5.07616 4.60347 6.37424 GPRESSAVG: 3385600 43.1713 -10.7323 -5.385 -10.6736 -50.9342 4.57121 -1.54581 3.36003 7.79418 TIMING: 3385600 CPU: 10699.3, 0.00314575/step Wall: 10699.3, 0.00314575/step, 1.41069 hours remaining, 238.671875 MB of memory in use. ENERGY: 3385600 3984.6032 20497.3171 14468.1500 245.4568 -203472.1524 2852.4027 0.0000 0.0000 51986.4696 -109437.7531 298.7670 -161424.2226 -109073.9164 299.1531 -28.4068 4.4985 760592.1529 -0.1542 0.0104 PRESSURE: 3385800 185.065 -83.2661 -51.4999 -83.2654 -513.423 146.106 -51.5004 146.106 6.75958 GPRESSURE: 3385800 242.774 -31.8981 -59.3341 -42.5872 -482.386 130.82 -82.7762 244.067 -6.63246 PRESSAVG: 3385800 16.3965 -34.1822 -5.38357 -34.1821 -29.1838 46.2192 -5.38358 46.2192 12.0383 GPRESSAVG: 3385800 15.2821 -34.4612 -7.30443 -32.6474 -27.808 45.7994 -6.51178 48.7562 11.3159 TIMING: 3385800 CPU: 10699.9, 0.00313259/step Wall: 10699.9, 0.00313259/step, 1.40462 hours remaining, 238.671875 MB of memory in use. ENERGY: 3385800 4098.7793 20463.5365 14503.6221 233.8179 -203119.2910 2387.3281 0.0000 0.0000 52119.0434 -109313.1637 299.5289 -161432.2071 -108950.3574 300.0454 -107.1998 -82.0816 761393.2005 -0.2497 -0.4033 PRESSURE: 3386000 -210.657 -131.748 -79.3716 -131.748 -436.737 -129.542 -79.3718 -129.542 -86.6052 GPRESSURE: 3386000 -239.741 -208.289 -99.5466 -108.61 -331.317 -149.403 -4.82274 -187.246 -71.0284 PRESSAVG: 3386000 -20.8533 11.8953 28.5206 11.8953 3.82534 -9.74326 28.5206 -9.74329 -18.6855 GPRESSAVG: 3386000 -21.1284 12.4052 28.5675 10.7897 4.04157 -10.6949 29.4661 -11.0493 -18.6302 TIMING: 3386000 CPU: 10700.5, 0.00315499/step Wall: 10700.5, 0.00315499/step, 1.41449 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3386000 3962.9925 20621.9673 14540.6016 250.0575 -203079.2515 2211.3570 0.0000 0.0000 52077.4695 -109414.8061 299.2899 -161492.2756 -109052.4410 299.6042 -244.6665 -214.0288 761774.2456 -11.9045 -11.9057 PRESSURE: 3386200 -38.308 32.352 104.77 32.3518 -329.077 -9.07005 104.771 -9.07052 -109.711 GPRESSURE: 3386200 29.5979 101.128 192.099 -1.56309 -270.523 -19.5374 180.121 39.8389 -154.23 PRESSAVG: 3386200 21.6856 26.8627 35.5613 26.8627 -52.5853 -4.93621 35.5614 -4.93624 -5.01686 GPRESSAVG: 3386200 22.7402 27.1066 36.6906 25.9546 -54.1917 -5.58787 33.6312 -3.08011 -4.6859 TIMING: 3386200 CPU: 10701.1, 0.00314622/step Wall: 10701.1, 0.00314622/step, 1.41038 hours remaining, 238.671875 MB of memory in use. ENERGY: 3386200 4026.1826 20636.9118 14453.5325 234.9893 -203358.7064 2454.3317 0.0000 0.0000 52256.2655 -109296.4931 300.3175 -161552.7586 -108932.5737 299.7699 -159.0322 -131.7183 759553.9829 -11.9722 -12.0458 PRESSURE: 3386400 152.736 298.009 -23.7462 298.009 122.164 78.6129 -23.7457 78.6131 -204.904 GPRESSURE: 3386400 180.01 277.753 -1.49739 182.883 150.818 127.584 -10.1244 168.616 -184.424 PRESSAVG: 3386400 1.58514 22.1896 -35.2971 22.1896 -3.23153 5.49965 -35.2971 5.49974 2.02371 GPRESSAVG: 3386400 0.981612 20.3243 -36.1279 25.1889 -1.63057 5.74213 -34.5897 4.11998 1.42991 TIMING: 3386400 CPU: 10701.8, 0.00312845/step Wall: 10701.8, 0.00312844/step, 1.40224 hours remaining, 238.671875 MB of memory in use. ENERGY: 3386400 4010.2141 20632.1730 14454.2744 244.5873 -203487.4114 2622.5106 0.0000 0.0000 52203.1618 -109320.4902 300.0123 -161523.6520 -108962.1329 299.9413 23.3319 48.8010 761225.6134 0.1258 0.2603 PRESSURE: 3386600 -61.9554 -256.025 -11.4002 -256.026 179.024 -207.236 -11.3998 -207.236 -62.8338 GPRESSURE: 3386600 -14.503 -297.091 15.8884 -259.207 174.285 -217.225 96.7652 -204.154 -27.2019 PRESSAVG: 3386600 26.935 23.3294 37.6863 23.3294 8.57115 -42.618 37.6862 -42.618 -29.8375 GPRESSAVG: 3386600 26.882 23.6794 38.806 22.1955 8.79198 -43.2435 38.9176 -42.2592 -29.8235 TIMING: 3386600 CPU: 10702.4, 0.00312524/step Wall: 10702.4, 0.00312524/step, 1.40063 hours remaining, 238.671875 MB of memory in use. ENERGY: 3386600 4002.6632 20627.6264 14475.6880 247.6168 -202954.5752 2234.2549 0.0000 0.0000 51976.3992 -109390.3267 298.7091 -161366.7259 -109031.5484 299.8846 18.0781 44.1934 759444.3542 1.8895 1.9501 PRESSURE: 3386800 337.01 -80.4388 -40.0413 -80.4389 194.998 75.5234 -40.0415 75.5245 172.222 GPRESSURE: 3386800 369.417 -20.3653 -57.4718 -88.0368 196.667 54.2358 -49.9476 139.577 200.658 PRESSAVG: 3386800 29.3302 27.2721 27.8861 27.2721 -35.6731 21.5374 27.8861 21.5374 13.3068 GPRESSAVG: 3386800 29.5658 29.512 28.0607 26.059 -36.2465 21.9922 29.5736 23.1121 13.5726 TIMING: 3386800 CPU: 10703, 0.00314994/step Wall: 10703, 0.00314994/step, 1.41152 hours remaining, 238.671875 MB of memory in use. ENERGY: 3386800 4027.2335 20493.2901 14438.6280 250.3288 -203931.7099 2964.1717 0.0000 0.0000 52286.3126 -109471.7452 300.4902 -161758.0578 -109104.0138 299.5820 234.7433 255.5807 760343.0174 2.3213 2.2973 PRESSURE: 3387000 -135.496 45.8864 180.19 45.8857 53.2048 -89.4724 180.19 -89.4732 242.856 GPRESSURE: 3387000 -154.584 78.2298 138.951 -73.2297 103.146 -139.019 151.229 -176.021 321.596 PRESSAVG: 3387000 -19.6808 -5.0764 31.1391 -5.07635 29.3336 -37.5162 31.1391 -37.5162 -14.2435 GPRESSAVG: 3387000 -19.6172 -5.01532 30.3245 -4.6639 28.0606 -38.0376 29.01 -37.5215 -12.8939 TIMING: 3387000 CPU: 10703.7, 0.00316017/step Wall: 10703.7, 0.00316017/step, 1.41593 hours remaining, 238.671875 MB of memory in use. ENERGY: 3387000 4028.2627 20497.2850 14440.9873 256.0152 -203365.7761 2580.1621 0.0000 0.0000 52177.7969 -109385.2668 299.8665 -161563.0638 -109028.7152 299.5604 53.5215 90.0525 760866.1660 -1.5302 -1.4835 PRESSURE: 3387200 -111.103 144.301 107.864 144.3 -279.762 -295.031 107.865 -295.031 -532.591 GPRESSURE: 3387200 -86.2342 90.8965 25.7068 172.546 -254.127 -293.894 109.045 -394.416 -486.716 PRESSAVG: 3387200 -6.62966 -41.494 65.2337 -41.494 -12.8487 -20.2106 65.2337 -20.2107 -6.23426 GPRESSAVG: 3387200 -7.49378 -44.6729 64.6378 -38.4173 -11.9665 -18.6646 66.1375 -24.7352 -6.64579 TIMING: 3387200 CPU: 10704.3, 0.00317406/step Wall: 10704.3, 0.00317406/step, 1.42198 hours remaining, 238.671875 MB of memory in use. ENERGY: 3387200 4017.4801 20530.8119 14372.4251 240.8343 -203098.0815 2425.9034 0.0000 0.0000 52012.9866 -109497.6402 298.9193 -161510.6268 -109141.6124 299.5797 -307.8186 -275.6925 761538.4736 -8.5709 -8.7020 PRESSURE: 3387400 -183.287 118.297 217.022 118.296 -195.55 78.4732 217.021 78.4727 41.5189 GPRESSURE: 3387400 -160.39 103.29 224.773 30.4215 -86.2802 57.7046 129.49 243.336 -5.50028 PRESSAVG: 3387400 45.9844 18.5909 43.9132 18.5909 -11.0139 -38.186 43.9132 -38.1861 5.82088 GPRESSAVG: 3387400 46.9308 20.7786 45.4014 16.3318 -10.7877 -40.3568 43.9274 -35.2078 4.84766 TIMING: 3387400 CPU: 10704.9, 0.00315903/step Wall: 10704.9, 0.00315903/step, 1.41507 hours remaining, 238.671875 MB of memory in use. ENERGY: 3387400 4140.9999 20573.6274 14414.4195 251.8933 -203520.4377 2636.8835 0.0000 0.0000 52206.7794 -109295.8348 300.0331 -161502.6142 -108935.2398 299.7663 -112.4394 -84.0569 760506.9945 13.5971 13.6636 PRESSURE: 3387600 -315.347 26.4169 96.9592 26.4164 -175.679 -67.8018 96.9606 -67.8012 176.004 GPRESSURE: 3387600 -246.72 -29.97 45.0531 -123.207 -112.136 -44.2004 20.3602 -140.924 129.851 PRESSAVG: 3387600 -2.71087 -41.471 -3.13833 -41.4711 -18.0806 -41.7306 -3.13836 -41.7306 -22.6093 GPRESSAVG: 3387600 -4.09832 -41.3 -5.27912 -43.3494 -16.0633 -41.467 -5.25581 -40.3584 -22.8369 TIMING: 3387600 CPU: 10705.6, 0.00317369/step Wall: 10705.6, 0.00317369/step, 1.42146 hours remaining, 238.671875 MB of memory in use. ENERGY: 3387600 4037.3338 20549.9850 14366.1938 232.1819 -203186.1631 2426.0318 0.0000 0.0000 52493.3438 -109081.0929 301.6800 -161574.4367 -108709.9885 300.0675 -105.0071 -76.3352 761211.2715 -14.4669 -14.3328 PRESSURE: 3387800 251.761 61.8529 -400.873 61.853 166.749 -73.644 -400.874 -73.6441 18.4309 GPRESSURE: 3387800 267.889 41.8381 -395.612 -11.2688 207.11 -99.9251 -238.035 -143.614 41.5198 PRESSAVG: 3387800 -12.8863 -52.8015 -47.9717 -52.8015 46.9808 1.80933 -47.9717 1.80933 1.12686 GPRESSAVG: 3387800 -12.4284 -53.5397 -47.7752 -51.3326 44.7725 3.70681 -46.0523 -1.70963 2.28779 TIMING: 3387800 CPU: 10706.2, 0.00313593/step Wall: 10706.2, 0.00313592/step, 1.40437 hours remaining, 238.671875 MB of memory in use. ENERGY: 3387800 4099.4842 20580.4412 14359.6586 249.7972 -203196.1762 2625.4455 0.0000 0.0000 52269.2061 -109012.1434 300.3918 -161281.3495 -108646.1873 300.6720 145.6471 172.1729 760928.6771 11.7404 11.5439 PRESSURE: 3388000 -121.297 -335.621 201.442 -335.622 -250.895 -221.483 201.444 -221.482 112.28 GPRESSURE: 3388000 -84.7494 -231.478 185.01 -295.518 -140.434 -175.363 65.8225 -282.715 50.7852 PRESSAVG: 3388000 -76.469 -57.1647 2.13613 -57.1647 85.2812 -31.2962 2.13621 -31.2962 -23.7064 GPRESSAVG: 3388000 -76.0215 -56.1018 2.39077 -57.0007 85.6497 -32.133 0.876969 -30.8176 -24.2411 TIMING: 3388000 CPU: 10706.8, 0.00317832/step Wall: 10706.8, 0.00317832/step, 1.42318 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3388000 3957.4020 20652.3647 14411.1498 240.2186 -203171.4950 2543.5356 0.0000 0.0000 52209.1511 -109157.6734 300.0467 -161366.8244 -108783.5542 300.2210 -86.6375 -58.1328 761556.6929 -4.9647 -4.8710 PRESSURE: 3388200 -135.083 184.995 -23.3877 184.995 -119.856 56.3133 -23.3871 56.3134 -260.794 GPRESSURE: 3388200 -111.346 97.8437 48.0835 154.274 -93.4493 100.093 -40.5756 49.6647 -232.672 PRESSAVG: 3388200 14.8856 -8.71787 2.23456 -8.71793 35.3649 -9.11894 2.23453 -9.11888 -19.0369 GPRESSAVG: 3388200 14.5351 -10.2535 1.39271 -9.74397 36.0347 -10.0655 4.6418 -7.84171 -19.9548 TIMING: 3388200 CPU: 10707.4, 0.00313708/step Wall: 10707.4, 0.00313708/step, 1.40454 hours remaining, 238.671875 MB of memory in use. ENERGY: 3388200 3966.3108 20514.0486 14378.5182 232.9273 -202675.2591 2071.3233 0.0000 0.0000 52297.1544 -109214.9765 300.5525 -161512.1309 -108844.2139 299.7280 -171.9108 -145.8227 761611.0286 10.4045 10.2050 LDB: ============= START OF LOAD BALANCING ============== 10719.8 LDB: ============== END OF LOAD BALANCING =============== 10719.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10719.8 LDB: ============= START OF LOAD BALANCING ============== 10720.2 LDB: Largest compute 7068 load 0.032001 is 16.3% of average load 0.196154 LDB: Average compute 0.004366 is 2.2% of average load 0.196154 LDB: TIME 10720.2 LOAD: AVG 0.196154 MAX 0.217898 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 10720.2 LOAD: AVG 0.196154 MAX 0.217898 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.961 MB LDB: TIME 10720.2 LOAD: AVG 0.196154 MAX 0.217898 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.961 MB LDB: ============== END OF LOAD BALANCING =============== 10720.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10720.2 PRESSURE: 3388400 -102.578 -129.721 -6.49584 -129.721 58.8742 77.5176 -6.49567 77.518 -42.1073 GPRESSURE: 3388400 -70.0693 -92.2445 93.5532 -160.82 105.958 -44.9097 -15.1783 90.15 -33.2794 PRESSAVG: 3388400 9.40014 14.8108 24.4623 14.8108 1.13686 18.8564 24.4623 18.8565 10.3259 GPRESSAVG: 3388400 10.3423 14.3993 26.2247 17.5352 -0.491305 18.8806 24.172 19.9963 10.6211 TIMING: 3388400 CPU: 10708.1, 0.00318699/step Wall: 10708.1, 0.00318699/step, 1.42671 hours remaining, 237.640625 MB of memory in use. ENERGY: 3388400 4031.5716 20725.0045 14406.8941 240.6111 -202813.5364 2225.3148 0.0000 0.0000 52126.2252 -109057.9152 299.5701 -161184.1404 -108694.4311 300.3660 -28.6039 0.8696 761281.6649 6.9543 6.8240 PRESSURE: 3388600 53.8616 -84.1975 -256.631 -84.1973 -35.8993 -91.0466 -256.633 -91.0469 40.5798 GPRESSURE: 3388600 127.889 -7.82005 -233.519 -29.413 -16.2406 -145.756 -234.827 -38.9445 33.0974 PRESSAVG: 3388600 10.0357 -32.713 23.9537 -32.7129 -31.4411 8.16844 23.9537 8.16838 8.87092 GPRESSAVG: 3388600 10.1529 -32.5409 21.9242 -34.3506 -30.6622 8.29901 25.2533 8.47163 8.46297 TIMING: 3388600 CPU: 10708.7, 0.00314366/step Wall: 10708.7, 0.00314366/step, 1.40714 hours remaining, 237.640625 MB of memory in use. ENERGY: 3388600 3980.9153 20450.1628 14452.7788 260.7190 -202915.8451 2265.1063 0.0000 0.0000 52532.9338 -108973.2291 301.9075 -161506.1629 -108604.6591 300.3062 19.5140 48.2485 761492.5406 -4.1782 -4.0154 PRESSURE: 3388800 -167.533 134.618 -6.40519 134.618 358.914 120.86 -6.40553 120.859 100.59 GPRESSURE: 3388800 -100.719 16.1104 27.8445 140.532 321.707 124.041 -54.1272 4.34618 131.567 PRESSAVG: 3388800 53.2444 -7.72291 24.3566 -7.72295 -29.7125 -17.3252 24.3566 -17.3252 10.1686 GPRESSAVG: 3388800 52.043 -8.32617 26.302 -7.19166 -29.7867 -17.0985 22.4723 -18.3045 11.472 TIMING: 3388800 CPU: 10709.3, 0.0031553/step Wall: 10709.3, 0.0031553/step, 1.41217 hours remaining, 237.640625 MB of memory in use. ENERGY: 3388800 4007.5927 20509.3306 14481.8510 261.8453 -203293.9909 3019.3171 0.0000 0.0000 51951.8405 -109062.2137 298.5679 -161014.0542 -108713.5380 300.4966 97.3235 117.5183 763351.6216 11.2335 11.2428 PRESSURE: 3389000 150.862 -0.0824776 99.7501 -0.0833667 217.849 262.987 99.7508 262.987 337.02 GPRESSURE: 3389000 106.254 45.283 153.728 -52.4972 232.492 336.781 83.8422 169.797 439.717 PRESSAVG: 3389000 -48.9389 -19.0421 33.0648 -19.0422 17.4639 -21.5753 33.0647 -21.5753 12.1076 GPRESSAVG: 3389000 -49.6272 -19.416 32.4997 -20.0343 18.199 -20.3788 33.2408 -23.0961 11.8306 TIMING: 3389000 CPU: 10710, 0.00313969/step Wall: 10710, 0.00313969/step, 1.40501 hours remaining, 237.640625 MB of memory in use. ENERGY: 3389000 4002.8302 20558.8464 14469.5291 243.1318 -203403.1083 2916.7881 0.0000 0.0000 52023.3916 -109188.5912 298.9791 -161211.9827 -108825.8514 299.7786 235.2434 259.4876 763303.0140 -6.4558 -6.5325 PRESSURE: 3389200 -128.949 219.319 36.7188 219.319 210.082 -102.064 36.7195 -102.065 466.557 GPRESSURE: 3389200 -43.1867 263.557 -29.1443 155.895 244.707 -120.163 143.732 -123.497 427.339 PRESSAVG: 3389200 -64.4904 -50.6768 -8.39735 -50.6768 39.5483 2.37966 -8.39731 2.37969 -1.81215 GPRESSAVG: 3389200 -63.6462 -49.6858 -9.2467 -50.7014 39.7208 4.23249 -7.59161 1.88968 -1.69353 TIMING: 3389200 CPU: 10710.6, 0.00314669/step Wall: 10710.6, 0.00314669/step, 1.40797 hours remaining, 237.640625 MB of memory in use. ENERGY: 3389200 3932.5339 20404.3506 14447.6115 260.0089 -203473.0856 2869.9517 0.0000 0.0000 52399.4221 -109159.2069 301.1402 -161558.6290 -108793.1893 300.2328 182.5631 209.6196 763017.8622 -8.9181 -8.5396 PRESSURE: 3389400 14.7241 -50.2084 -72.6068 -50.2091 -143.001 252.636 -72.607 252.636 -60.9749 GPRESSURE: 3389400 60.1874 -12.2286 -70.835 -125.737 -112.519 230.833 -82.36 156.334 -67.1545 PRESSAVG: 3389400 -15.7443 -11.4527 6.50439 -11.4528 -4.65831 -4.48115 6.50435 -4.48107 -23.4545 GPRESSAVG: 3389400 -15.5685 -10.9764 6.67058 -12.7383 -5.24744 -6.08448 4.48619 -3.11915 -23.3408 TIMING: 3389400 CPU: 10711.2, 0.00315626/step Wall: 10711.2, 0.00315626/step, 1.41208 hours remaining, 237.640625 MB of memory in use. ENERGY: 3389400 4020.4901 20411.0792 14463.6478 229.0122 -203316.4172 2764.7307 0.0000 0.0000 52215.3514 -109212.1058 300.0823 -161427.4572 -108847.2001 300.0078 -63.0840 -39.8286 762235.6037 -14.6190 -14.7189 PRESSURE: 3389600 -79.1734 237.969 28.2492 237.97 -268.831 307.904 28.249 307.905 -113.909 GPRESSURE: 3389600 -55.6064 377.132 55.197 186.489 -262.032 288.296 172.945 243.711 -41.0569 PRESSAVG: 3389600 26.0072 -23.1529 -10.392 -23.153 18.1422 22.6 -10.392 22.6 1.46199 GPRESSAVG: 3389600 26.1734 -24.0497 -9.16293 -21.7257 17.8919 22.3889 -10.0734 19.7199 1.4144 TIMING: 3389600 CPU: 10711.9, 0.00316643/step Wall: 10711.9, 0.00316643/step, 1.41645 hours remaining, 237.640625 MB of memory in use. ENERGY: 3389600 3947.1383 20451.5128 14443.3041 250.1869 -202846.4621 2507.1346 0.0000 0.0000 52040.9405 -109206.2449 299.0800 -161247.1854 -108849.4649 299.6375 -153.9713 -119.5651 764138.3508 15.2038 15.1599 PRESSURE: 3389800 36.8827 -206.581 2.42457 -206.581 56.904 -70.0028 2.42438 -70.0031 -137.42 GPRESSURE: 3389800 19.8206 -246.003 63.1931 -227.83 124.348 -61.8825 -73.644 -10.6222 -113.86 PRESSAVG: 3389800 31.3364 -6.77245 -23.6453 -6.77251 -56.551 -20.2228 -23.6453 -20.2228 -2.49486 GPRESSAVG: 3389800 31.0545 -4.84602 -22.7691 -7.91998 -56.1563 -20.661 -22.0986 -18.5518 -2.04885 TIMING: 3389800 CPU: 10712.5, 0.0031678/step Wall: 10712.5, 0.0031678/step, 1.41689 hours remaining, 237.640625 MB of memory in use. ENERGY: 3389800 3985.8354 20357.1303 14491.2064 266.3420 -202762.0391 2604.7019 0.0000 0.0000 51902.7030 -109154.1202 298.2855 -161056.8231 -108792.1440 299.4096 -14.5443 10.1029 763998.0425 -9.2365 -9.0502 PRESSURE: 3390000 -125.891 -83.0892 -131.273 -83.0888 7.30457 13.2095 -131.272 13.21 -331.935 GPRESSURE: 3390000 -99.2817 -71.4706 -204.241 -133.89 -8.77727 -39.0249 -87.105 -51.2906 -266.148 PRESSAVG: 3390000 4.21256 -6.4424 -8.48328 -6.44241 -8.18132 -26.2165 -8.48332 -26.2166 3.26945 GPRESSAVG: 3390000 4.16152 -6.67989 -8.53316 -6.89291 -7.87511 -26.3612 -9.59712 -24.7772 2.75028 TIMING: 3390000 CPU: 10713.1, 0.00314939/step Wall: 10713.1, 0.00314939/step, 1.40848 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3390000 3942.8122 20495.0364 14467.9714 255.0993 -202578.4415 2244.3146 0.0000 0.0000 52105.2749 -109067.9327 299.4497 -161173.2076 -108711.5127 299.7618 -150.1740 -124.7357 762377.3453 -0.2331 -0.3211 PRESSURE: 3390200 -260.117 -65.4274 103.927 -65.4288 90.734 -131.603 103.928 -131.603 77.0048 GPRESSURE: 3390200 -208.563 32.0469 9.05176 8.49723 152.297 -60.3524 50.9805 -148.395 56.7062 PRESSAVG: 3390200 60.5211 -30.105 -5.30716 -30.105 -48.9244 -19.6649 -5.30714 -19.665 23.8154 GPRESSAVG: 3390200 62.0387 -30.0719 -5.78902 -28.3786 -50.3067 -20.9112 -5.07861 -19.5001 24.4758 TIMING: 3390200 CPU: 10713.8, 0.00313979/step Wall: 10713.8, 0.00313979/step, 1.40401 hours remaining, 237.640625 MB of memory in use. ENERGY: 3390200 3845.7636 20438.0453 14419.9329 254.5608 -202612.8427 2326.4294 0.0000 0.0000 52100.1513 -109227.9593 299.4203 -161328.1107 -108870.5270 299.3149 -30.7926 0.1469 764466.0373 11.8041 12.0693 PRESSURE: 3390400 -457.239 -69.2025 -164.289 -69.2029 -156.12 142.42 -164.29 142.42 -34.6822 GPRESSURE: 3390400 -377.655 -153.414 -151.16 -108.305 -140.596 137.528 -140.387 66.5244 -27.9792 PRESSAVG: 3390400 -13.0144 -7.69921 -14.2138 -7.69917 -13.1031 16.8922 -14.2138 16.8922 16.0428 GPRESSAVG: 3390400 -14.4921 -8.35471 -15.8656 -8.28423 -11.7983 17.3088 -13.5449 17.1706 16.3077 TIMING: 3390400 CPU: 10714.4, 0.00317436/step Wall: 10714.4, 0.00317436/step, 1.41929 hours remaining, 237.640625 MB of memory in use. ENERGY: 3390400 3986.2664 20417.1353 14441.8631 250.9284 -202785.1617 2280.2825 0.0000 0.0000 52064.1606 -109344.5253 299.2134 -161408.6859 -108982.7868 299.5612 -216.0136 -182.0769 761353.5270 -3.3582 -3.3275 PRESSURE: 3390600 114.563 60.4085 -46.0014 60.4087 67.6519 -269.942 -46 -269.942 235.295 GPRESSURE: 3390600 120.624 -14.8467 -16.4543 67.6886 145.59 -357.137 60.1188 -280.839 234.155 PRESSAVG: 3390600 29.8124 -54.521 -48.2632 -54.521 21.0004 52.4454 -48.2632 52.4454 -3.66564 GPRESSAVG: 3390600 29.8781 -56.1608 -45.3459 -54.568 21.3858 52.759 -48.7079 52.6158 -3.6052 TIMING: 3390600 CPU: 10715, 0.00314195/step Wall: 10715, 0.00314195/step, 1.40463 hours remaining, 237.640625 MB of memory in use. ENERGY: 3390600 4007.1535 20401.7324 14496.0686 255.6319 -203087.2988 2570.7980 0.0000 0.0000 52033.4362 -109322.4782 299.0369 -161355.9143 -108958.0834 299.3937 139.1700 166.7897 761366.6361 15.7157 15.8862 PRESSURE: 3390800 37.8161 -161.157 95.8344 -161.158 -343.88 214.515 95.8347 214.515 354.911 GPRESSURE: 3390800 87.2017 -157.65 68.1708 -8.62011 -339.822 177.297 -44.2021 250.265 380.001 PRESSAVG: 3390800 18.7562 -45.5499 51.3146 -45.5499 -8.14859 43.3056 51.3145 43.3057 23.5487 GPRESSAVG: 3390800 20.4234 -42.338 49.572 -44.7948 -8.85331 45.3565 50.1022 40.8568 22.096 TIMING: 3390800 CPU: 10715.7, 0.00313264/step Wall: 10715.7, 0.00313264/step, 1.40029 hours remaining, 237.640625 MB of memory in use. ENERGY: 3390800 3973.8187 20678.6969 14507.5447 247.0549 -203589.5279 2882.4614 0.0000 0.0000 52063.5732 -109236.3781 299.2101 -161299.9513 -108887.7415 299.4287 16.2825 42.4600 761671.8592 11.3854 11.2220 PRESSURE: 3391000 -97.9765 15.9687 -277.698 15.9679 62.1017 -87.2676 -277.697 -87.2685 256.695 GPRESSURE: 3391000 124.264 -66.7526 -302.485 -144.264 31.8187 -10.576 -304.732 -53.7172 172.301 PRESSAVG: 3391000 -14.5136 -16.2666 -47.4956 -16.2667 -25.3829 22.5026 -47.4956 22.5026 9.26192 GPRESSAVG: 3391000 -13.9258 -16.2129 -47.4693 -18.5494 -25.7955 21.414 -47.6675 23.2817 9.04124 TIMING: 3391000 CPU: 10716.3, 0.00314758/step Wall: 10716.3, 0.00314758/step, 1.40679 hours remaining, 237.640625 MB of memory in use. ENERGY: 3391000 4031.2701 20453.9930 14443.6120 243.1508 -203413.0165 2670.5936 0.0000 0.0000 52248.2636 -109322.1334 300.2715 -161570.3969 -108967.5913 299.4332 73.6068 109.4613 761096.5263 -10.2115 -10.2267 PRESSURE: 3391200 -445.102 -106.952 4.24995 -106.952 -75.7453 -114.204 4.24911 -114.204 -84.8286 GPRESSURE: 3391200 -349.419 -43.8315 -40.8326 -102.424 -55.8266 -46.3235 7.25028 -94.8676 -101.681 PRESSAVG: 3391200 8.80177 20.5276 -39.863 20.5276 35.5325 4.65429 -39.8631 4.65432 -35.6789 GPRESSAVG: 3391200 8.26694 17.4792 -40.4428 22.8946 35.4457 4.35289 -38.6268 5.54752 -34.6429 TIMING: 3391200 CPU: 10716.9, 0.00314148/step Wall: 10716.9, 0.00314148/step, 1.40389 hours remaining, 237.640625 MB of memory in use. ENERGY: 3391200 4029.2844 20591.6462 14427.2013 237.0077 -203345.9567 2538.6788 0.0000 0.0000 52150.7712 -109371.3671 299.7112 -161522.1383 -108998.4392 299.1060 -201.8921 -168.9755 762020.6198 2.8851 3.0232 PRESSURE: 3391400 54.5131 136.13 -18.1671 136.131 -45.793 70.1459 -18.1669 70.1468 259.241 GPRESSURE: 3391400 21.1905 96.098 94.9414 118.452 30.2082 138.751 81.7043 -13.1529 304.473 PRESSAVG: 3391400 -35.9582 6.42997 31.3848 6.43004 11.6135 37.6929 31.3848 37.6929 14.8688 GPRESSAVG: 3391400 -36.2213 7.59584 33.5056 6.73418 12.3382 39.3661 30.1368 38.527 14.7822 TIMING: 3391400 CPU: 10717.5, 0.00313886/step Wall: 10717.5, 0.00313886/step, 1.40255 hours remaining, 237.640625 MB of memory in use. ENERGY: 3391400 4012.2450 20554.6635 14450.6916 248.5082 -203357.3370 2806.0927 0.0000 0.0000 51787.3311 -109497.8048 297.6225 -161285.1359 -109141.0036 299.0323 89.3203 118.6238 761495.6629 -3.1586 -3.0336 PRESSURE: 3391600 10.7048 51.0552 -31.6843 51.0551 45.3042 214.881 -31.6837 214.881 61.6768 GPRESSURE: 3391600 109.232 -28.4234 -48.3026 70.0393 62.6408 86.8795 -9.97837 105.878 39.8744 PRESSAVG: 3391600 32.5434 41.3267 -18.7174 41.3267 -21.5929 32.9843 -18.7174 32.9842 11.041 GPRESSAVG: 3391600 34.6033 41.4182 -21.2035 41.3104 -23.0282 32.0718 -17.7481 32.3892 10.3872 TIMING: 3391600 CPU: 10718.2, 0.003139/step Wall: 10718.2, 0.003139/step, 1.40244 hours remaining, 237.640625 MB of memory in use. ENERGY: 3391600 4030.5633 20740.9167 14429.9521 249.3924 -203788.8894 2783.0376 0.0000 0.0000 52095.2071 -109459.8202 299.3919 -161555.0273 -109100.4496 299.1999 39.2286 70.5826 761453.0555 7.3305 7.3208 PRESSURE: 3391800 -69.5745 -55.8902 10.8265 -55.8906 -124.582 -72.6248 10.8263 -72.6249 -183.126 GPRESSURE: 3391800 -42.244 17.6047 88.7158 2.37283 -118.352 -43.2769 10.4403 -15.1639 -124.384 PRESSAVG: 3391800 22.4189 -50.1008 54.2928 -50.1008 3.03034 -27.9394 54.2928 -27.9394 -10.9302 GPRESSAVG: 3391800 20.3659 -50.1152 54.2922 -50.6868 5.57189 -29.0805 54.2627 -28.3447 -11.3858 TIMING: 3391800 CPU: 10718.8, 0.00317548/step Wall: 10718.8, 0.00317548/step, 1.41856 hours remaining, 237.640625 MB of memory in use. ENERGY: 3391800 3982.9534 20670.9696 14506.8089 251.2361 -203625.7647 2823.1640 0.0000 0.0000 51978.4520 -109412.1808 298.7209 -161390.6328 -109057.8640 299.5833 -125.7606 -94.9936 762286.2859 4.8397 4.8506 PRESSURE: 3392000 -104.543 -51.9844 148.031 -51.9838 -479.194 -19.3853 148.032 -19.3849 -344.766 GPRESSURE: 3392000 -212.564 12.465 132.515 -219.768 -324.941 20.9475 79.8349 -51.7322 -334.039 PRESSAVG: 3392000 31.4367 -49.7222 39.7996 -49.7222 -43.3163 -5.36928 39.7996 -5.36936 7.97986 GPRESSAVG: 3392000 31.5062 -48.469 39.4341 -50.6514 -44.6095 -5.67387 40.5976 -6.19031 9.65841 TIMING: 3392000 CPU: 10719.4, 0.00314264/step Wall: 10719.4, 0.00314264/step, 1.40371 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3392000 3979.5525 20647.9399 14500.2055 236.6404 -203019.7117 2377.2825 0.0000 0.0000 51912.0178 -109366.0731 298.3391 -161278.0909 -109006.7187 299.2561 -309.5013 -290.5145 762243.1299 -1.2999 -1.1483 PRESSURE: 3392200 -67.0379 264.241 150.527 264.241 -134.36 -148.596 150.528 -148.596 -282.279 GPRESSURE: 3392200 -167.998 238.501 175.164 40.5221 33.4691 -83.5708 66.5815 -118.303 -258.85 PRESSAVG: 3392200 43.9538 -62.3972 54.5552 -62.3972 16.5236 -66.6018 54.5552 -66.6018 -4.35815 GPRESSAVG: 3392200 45.0946 -63.7745 54.8204 -63.2941 17.0781 -65.2035 52.1252 -65.9702 -5.87586 TIMING: 3392200 CPU: 10720.1, 0.00319315/step Wall: 10720.1, 0.00319315/step, 1.42609 hours remaining, 237.640625 MB of memory in use. ENERGY: 3392200 4060.0469 20706.9513 14424.5958 249.5996 -203431.2091 2576.4830 0.0000 0.0000 52148.1301 -109265.4024 299.6960 -161413.5325 -108902.2127 300.0993 -161.2257 -131.1262 760682.3891 18.7064 18.7656 LDB: ============= START OF LOAD BALANCING ============== 10732.5 LDB: ============== END OF LOAD BALANCING =============== 10732.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10732.5 LDB: ============= START OF LOAD BALANCING ============== 10732.8 LDB: Largest compute 7068 load 0.034361 is 17.5% of average load 0.196082 LDB: Average compute 0.004368 is 2.2% of average load 0.196082 LDB: TIME 10732.8 LOAD: AVG 0.196082 MAX 0.216159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 10732.8 LOAD: AVG 0.196082 MAX 0.216159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 10732.8 LOAD: AVG 0.196082 MAX 0.216159 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10732.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10732.8 PRESSURE: 3392400 -81.2407 73.7451 -15.3141 73.7454 -293.694 -34.291 -15.3137 -34.292 -3.63203 GPRESSURE: 3392400 -40.168 23.0241 38.8254 76.9236 -192.43 -98.2178 73.6306 58.7926 -44.7469 PRESSAVG: 3392400 -5.00394 -35.66 -8.55464 -35.6599 43.8306 -24.1441 -8.55466 -24.1441 7.53559 GPRESSAVG: 3392400 -4.60452 -34.2735 -7.24758 -38.0302 43.887 -24.8096 -6.67877 -25.9764 6.89154 TIMING: 3392400 CPU: 10720.7, 0.00325618/step Wall: 10720.7, 0.00325618/step, 1.45406 hours remaining, 237.699219 MB of memory in use. ENERGY: 3392400 4016.0218 20541.3110 14457.2680 244.3521 -203193.3133 2396.5180 0.0000 0.0000 52178.1784 -109359.6639 299.8687 -161537.8423 -108982.0337 299.9951 -126.1888 -92.4482 760032.3548 15.4541 15.3914 PRESSURE: 3392600 -147.307 -91.9843 114.859 -91.9839 -142.182 58.6695 114.859 58.6704 70.2982 GPRESSURE: 3392600 -27.7413 -142.277 149.581 -34.7122 -179.226 55.0302 15.9379 56.4515 81.5665 PRESSAVG: 3392600 5.29029 -27.4107 33.5033 -27.4107 10.7522 -22.857 33.5033 -22.857 8.71781 GPRESSAVG: 3392600 4.7757 -27.2639 31.2774 -23.9951 10.2414 -24.1 34.138 -21.0622 9.96697 TIMING: 3392600 CPU: 10721.3, 0.00315014/step Wall: 10721.3, 0.00315014/step, 1.40654 hours remaining, 237.699219 MB of memory in use. ENERGY: 3392600 3958.3133 20709.9749 14434.7620 244.1879 -203261.8824 2554.3518 0.0000 0.0000 52212.9204 -109147.3721 300.0684 -161360.2925 -108789.2287 300.3947 -73.0636 -41.8001 759715.1794 8.2534 8.3280 PRESSURE: 3392800 -209.624 -154.741 50.6254 -154.741 301.485 36.5125 50.6253 36.5131 -202.328 GPRESSURE: 3392800 -68.7139 -200.326 220.788 -156.873 237.712 5.00771 8.91011 50.3662 -197.742 PRESSAVG: 3392800 -71.6875 -16.9891 28.13 -16.9892 33.0656 -9.07165 28.13 -9.07165 -16.297 GPRESSAVG: 3392800 -70.801 -18.2497 29.6951 -18.2425 32.6607 -8.74373 26.9654 -7.40024 -16.6923 TIMING: 3392800 CPU: 10722, 0.00314791/step Wall: 10722, 0.00314791/step, 1.40537 hours remaining, 237.699219 MB of memory in use. ENERGY: 3392800 4005.3473 20584.4748 14408.5030 252.5493 -203282.3439 2637.8145 0.0000 0.0000 52228.1801 -109165.4748 300.1561 -161393.6548 -108793.0334 300.2640 -36.8224 -9.5814 760493.7181 -18.3063 -18.2775 PRESSURE: 3393000 -233.184 -114.187 -125.404 -114.186 17.4293 327.977 -125.404 327.978 -170.255 GPRESSURE: 3393000 -196.07 7.13321 -176.691 4.48417 102.451 274.976 -174.204 326.204 -204.746 PRESSAVG: 3393000 -14.1465 -38.0677 38.9979 -38.0676 7.04835 -36.7159 38.9978 -36.7159 -2.71103 GPRESSAVG: 3393000 -15.4511 -38.1769 38.2196 -35.6239 8.64916 -36.6007 40.5899 -37.0023 -3.14781 TIMING: 3393000 CPU: 10722.6, 0.00314315/step Wall: 10722.6, 0.00314315/step, 1.40307 hours remaining, 237.699219 MB of memory in use. ENERGY: 3393000 3979.2372 20570.8089 14434.1461 236.8348 -203170.6187 2299.2321 0.0000 0.0000 52293.0938 -109357.2658 300.5291 -161650.3596 -108987.9868 299.7884 -128.6701 -99.4548 762105.0676 -3.2697 -3.3166 PRESSURE: 3393200 404.55 80.9327 -48.3538 80.9329 -70.7337 332.335 -48.3535 332.335 -147.361 GPRESSURE: 3393200 365.749 15.1208 -34.538 71.5707 -53.5848 471.182 -35.2952 215.204 -76.6069 PRESSAVG: 3393200 -6.97186 -12.53 -1.35788 -12.5301 25.3805 10.958 -1.35786 10.958 -13.7304 GPRESSAVG: 3393200 -8.26817 -10.8549 -0.984113 -13.6264 25.4132 10.4165 -2.55765 11.1422 -12.8478 TIMING: 3393200 CPU: 10723.2, 0.00316132/step Wall: 10723.2, 0.00316132/step, 1.411 hours remaining, 237.699219 MB of memory in use. ENERGY: 3393200 4051.4968 20662.8161 14469.7814 254.0900 -203925.4556 2893.0132 0.0000 0.0000 52226.2166 -109368.0415 300.1448 -161594.2582 -109016.1727 299.6504 62.1516 78.5190 759945.5113 1.5594 1.4324 PRESSURE: 3393400 150.721 -42.4109 -107.637 -42.4096 79.9402 -26.9959 -107.637 -26.9957 393.927 GPRESSURE: 3393400 165.765 -25.77 -9.4434 -139.024 155.391 -0.492209 -78.4618 -54.9334 397.095 PRESSAVG: 3393400 -62.5409 -17.5776 -20.5848 -17.5776 40.8573 -15.6332 -20.5848 -15.6332 18.9371 GPRESSAVG: 3393400 -61.7003 -18.8983 -19.8229 -17.2919 40.2628 -14.9231 -20.4258 -15.8631 19.3219 TIMING: 3393400 CPU: 10723.9, 0.00314402/step Wall: 10723.9, 0.00314402/step, 1.40311 hours remaining, 237.699219 MB of memory in use. ENERGY: 3393400 3980.8639 20575.0900 14385.4297 259.3605 -203213.0751 2541.5133 0.0000 0.0000 51958.3203 -109512.4975 298.6052 -161470.8178 -109148.6244 299.4635 208.1960 239.4168 760135.7423 -0.9155 -0.7052 PRESSURE: 3393600 -56.5889 132.289 1.48227 132.29 -9.26451 -135.489 1.48186 -135.489 -265.078 GPRESSURE: 3393600 -51.1494 162.735 -21.6029 32.4738 89.3753 -51.2589 6.19403 -148.716 -266.559 PRESSAVG: 3393600 -15.8391 9.75796 -10.3469 9.75802 15.4468 -76.5584 -10.3469 -76.5584 -5.08551 GPRESSAVG: 3393600 -14.9322 10.1029 -10.8368 8.4581 15.1159 -77.0248 -8.65888 -79.6187 -5.41701 TIMING: 3393600 CPU: 10724.5, 0.00314556/step Wall: 10724.5, 0.00314556/step, 1.40362 hours remaining, 237.699219 MB of memory in use. ENERGY: 3393600 3979.5657 20625.4775 14436.0610 257.6265 -203128.1882 2426.1551 0.0000 0.0000 52060.2950 -109343.0075 299.1912 -161403.3025 -108984.8694 298.9959 -110.3104 -76.1110 760079.8892 -1.8259 -1.7445 PRESSURE: 3393800 -57.8065 -10.6963 37.3785 -10.6962 -193.957 -157.945 37.3787 -157.945 -410.525 GPRESSURE: 3393800 -38.2542 -49.4337 52.5745 -33.7429 -132.771 -137.877 -65.8312 -117.846 -414.064 PRESSAVG: 3393800 -33.8103 -1.93358 1.57888 -1.93354 25.4986 -77.0473 1.57894 -77.0474 11.9749 GPRESSAVG: 3393800 -35.623 -0.100874 2.3698 -1.4832 27.3635 -76.0782 -0.864882 -72.4848 11.7472 TIMING: 3393800 CPU: 10725.1, 0.00314753/step Wall: 10725.1, 0.00314753/step, 1.40432 hours remaining, 237.699219 MB of memory in use. ENERGY: 3393800 3998.6670 20620.4149 14525.2184 238.1824 -203296.1780 2341.6634 0.0000 0.0000 52192.1241 -109379.9077 299.9489 -161572.0318 -109025.6995 299.4931 -220.7628 -195.0296 760340.6087 1.2211 1.1626 PRESSURE: 3394000 -43.2667 -27.201 -168.656 -27.2011 -384.677 113.301 -168.655 113.302 -307.865 GPRESSURE: 3394000 37.4496 79.2916 -241.349 -82.4686 -423.284 68.963 -95.1584 47.1237 -285.916 PRESSAVG: 3394000 26.3717 -35.5292 -28.4972 -35.5291 2.38125 -35.4529 -28.4972 -35.4529 1.97421 GPRESSAVG: 3394000 25.8938 -35.7708 -29.0162 -36.89 2.19662 -34.2278 -28.6069 -38.1294 2.1577 TIMING: 3394000 CPU: 10725.8, 0.00314566/step Wall: 10725.8, 0.00314566/step, 1.40331 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3394000 4010.5909 20601.4918 14451.5728 270.3416 -203132.0587 2378.5121 0.0000 0.0000 51932.8120 -109486.7376 298.4586 -161419.5496 -109124.6706 299.2797 -245.2695 -223.9167 762345.2047 10.2424 10.0827 PRESSURE: 3394200 42.7425 -60.3374 122.438 -60.3374 -199.542 128.796 122.439 128.796 240.415 GPRESSURE: 3394200 48.5537 -64.3892 196.783 -76.7953 -152.814 150.753 207.936 165.816 267.217 PRESSAVG: 3394200 -37.7576 -43.3965 20.089 -43.3965 12.1964 -14.8521 20.089 -14.8521 -2.00656 GPRESSAVG: 3394200 -36.8536 -44.9013 21.5579 -42.3161 11.7806 -17.4153 20.6187 -13.9922 -2.48207 TIMING: 3394200 CPU: 10726.4, 0.00314897/step Wall: 10726.4, 0.00314897/step, 1.40462 hours remaining, 237.699219 MB of memory in use. ENERGY: 3394200 4043.0844 20481.9896 14504.1859 231.8422 -203721.1297 2886.6537 0.0000 0.0000 52317.4114 -109255.9625 300.6689 -161573.3739 -108876.1447 299.4293 27.8720 54.3189 760282.1281 -9.1892 -9.1850 PRESSURE: 3394400 -463.672 38.7837 -64.8156 38.7834 -192.274 49.4938 -64.8157 49.4938 -149.047 GPRESSURE: 3394400 -366.035 -13.0831 -37.5749 -15.6597 -161.554 11.4914 15.8052 -5.47048 -205.294 PRESSAVG: 3394400 -9.82115 -13.6954 -0.63927 -13.6954 -0.0189187 -23.8726 -0.63928 -23.8727 3.22936 GPRESSAVG: 3394400 -9.30157 -13.4116 -1.06172 -11.8588 -0.911848 -24.0512 1.0846 -23.1708 3.40597 TIMING: 3394400 CPU: 10727, 0.00315429/step Wall: 10727, 0.00315429/step, 1.40681 hours remaining, 237.699219 MB of memory in use. ENERGY: 3394400 4118.8413 20565.4751 14424.9767 255.2595 -203382.5891 2538.6135 0.0000 0.0000 52111.0937 -109368.3292 299.4832 -161479.4230 -109013.5279 299.6869 -268.3309 -244.2942 761969.1830 -2.2036 -2.2691 PRESSURE: 3394600 -149.606 66.8749 219.403 66.8741 -386.53 -47.0119 219.403 -47.0122 498.765 GPRESSURE: 3394600 -94.449 -6.99136 199.682 103.518 -312.367 -45.4296 7.4034 -49.1964 470.45 PRESSAVG: 3394600 23.1182 25.6245 -31.3811 25.6246 5.02046 -19.2916 -31.3812 -19.2916 15.7793 GPRESSAVG: 3394600 22.1266 24.6557 -31.921 23.7064 6.59885 -18.5162 -33.0533 -19.2399 15.3379 TIMING: 3394600 CPU: 10727.6, 0.00315034/step Wall: 10727.6, 0.00315034/step, 1.40487 hours remaining, 237.699219 MB of memory in use. ENERGY: 3394600 3975.5380 20552.6202 14461.0086 251.5743 -203075.8668 2270.0481 0.0000 0.0000 52033.9069 -109531.1707 299.0396 -161565.0776 -109165.8120 299.2068 -12.4574 21.2113 759232.8977 14.6393 14.6878 PRESSURE: 3394800 -214.867 -145.432 39.9536 -145.432 56.6027 -235.07 39.9536 -235.069 -499.978 GPRESSURE: 3394800 -214.806 34.2138 11.2199 -30.0011 95.8534 -249.693 -68.7951 -154.605 -464.809 PRESSAVG: 3394800 -10.3012 -79.3057 -17.0858 -79.3056 -12.1968 2.04197 -17.0858 2.04203 -1.00582 GPRESSAVG: 3394800 -11.6943 -76.889 -18.2426 -77.3514 -12.2683 1.68885 -18.2589 2.24202 0.202579 TIMING: 3394800 CPU: 10728.3, 0.00314533/step Wall: 10728.3, 0.00314533/step, 1.40247 hours remaining, 237.699219 MB of memory in use. ENERGY: 3394800 3938.2124 20413.7294 14435.2486 239.6129 -203012.1882 2357.2940 0.0000 0.0000 52055.4458 -109572.6451 299.1634 -161628.0909 -109209.9183 298.8192 -219.4141 -194.5874 760885.4635 -7.8346 -7.9200 PRESSURE: 3395000 -120.433 10.5369 -127.878 10.5371 -297.163 116.354 -127.877 116.354 -649.473 GPRESSURE: 3395000 -157.753 24.4556 -43.7469 -85.0894 -271.046 234.654 -131.446 27.6713 -573.754 PRESSAVG: 3395000 -18.6039 -49.8471 27.1008 -49.8472 4.70178 25.9222 27.1007 25.9222 11.2272 GPRESSAVG: 3395000 -16.35 -49.7388 29.1835 -53.6798 4.30134 26.2616 27.8842 25.0313 10.1507 TIMING: 3395000 CPU: 10728.9, 0.00314381/step Wall: 10728.9, 0.00314381/step, 1.40161 hours remaining, 237.699219 MB of memory in use. ENERGY: 3395000 3944.9601 20629.4514 14469.3407 232.6124 -203027.8781 2221.8284 0.0000 0.0000 52234.4485 -109295.2367 300.1921 -161529.6852 -108925.5512 299.6743 -355.6896 -334.1843 762305.5454 -0.8916 -0.6326 PRESSURE: 3395200 -45.215 -117.681 88.5557 -117.681 190.143 142.329 88.5556 142.33 -246.177 GPRESSURE: 3395200 -35.2479 -75.7762 170.344 -163.627 176.438 159.047 88.2601 216.219 -168.148 PRESSAVG: 3395200 -12.8066 -23.453 43.0486 -23.4529 -0.0984298 -0.7287 43.0485 -0.72868 -7.52585 GPRESSAVG: 3395200 -12.768 -22.8683 42.9531 -21.4481 -1.51128 0.154892 42.7061 0.519444 -6.08386 TIMING: 3395200 CPU: 10729.5, 0.00313657/step Wall: 10729.5, 0.00313657/step, 1.39821 hours remaining, 237.699219 MB of memory in use. ENERGY: 3395200 4027.7413 20415.9418 14481.3433 237.0504 -203727.1145 2842.5526 0.0000 0.0000 52290.0577 -109432.4274 300.5117 -161722.4851 -109060.5903 299.4250 -33.7496 -8.9859 759655.0772 -6.8103 -6.7877 PRESSURE: 3395400 -259.706 33.4735 -218.722 33.4732 -75.3735 78.0977 -218.723 78.0967 57.8547 GPRESSURE: 3395400 -291.222 66.4094 -197.171 -26.1645 51.8974 118.6 -344.128 103.378 31.5502 PRESSAVG: 3395400 26.6428 -41.6175 -12.2625 -41.6175 -14.2212 7.50823 -12.2625 7.50826 -0.246189 GPRESSAVG: 3395400 25.9242 -43.3493 -13.073 -41.4422 -12.9192 7.50104 -11.6369 8.20265 -0.67903 TIMING: 3395400 CPU: 10730.2, 0.00316169/step Wall: 10730.2, 0.00316169/step, 1.40924 hours remaining, 237.699219 MB of memory in use. ENERGY: 3395400 3939.8775 20414.9629 14451.1078 234.6329 -202987.5802 2460.5061 0.0000 0.0000 51897.3199 -109589.1730 298.2546 -161486.4929 -109226.1085 299.0789 -92.4082 -69.2581 759771.5518 4.0585 4.1086 PRESSURE: 3395600 -54.5845 -34.3311 -227.981 -34.3312 -191.276 -164.908 -227.981 -164.908 542.323 GPRESSURE: 3395600 -56.5956 -125.577 -222.759 38.3143 -54.3462 -150.095 -246.625 -173.298 482.176 PRESSAVG: 3395600 -22.2019 -31.3248 -35.9504 -31.3248 35.8058 -10.5101 -35.9504 -10.5101 18.1456 GPRESSAVG: 3395600 -22.6808 -30.3464 -34.9489 -30.9588 35.9324 -9.45611 -37.7258 -14.1115 18.4825 TIMING: 3395600 CPU: 10730.8, 0.00319051/step Wall: 10730.8, 0.00319051/step, 1.4219 hours remaining, 237.699219 MB of memory in use. ENERGY: 3395600 3955.3988 20423.9993 14470.3815 238.3274 -203585.3406 2646.4050 0.0000 0.0000 52115.6630 -109735.1656 299.5094 -161850.8286 -109368.9131 298.6373 98.8208 123.7449 758884.1064 10.5832 10.5780 PRESSURE: 3395800 537.103 146.905 231.292 146.906 23.2382 -9.55972 231.29 -9.56091 -4.41017 GPRESSURE: 3395800 468.372 119.044 222.612 172.13 209.028 -64.5805 187.278 124.971 -27.1367 PRESSAVG: 3395800 19.5874 38.6445 32.7856 38.6445 -35.3419 14.0929 32.7856 14.093 6.10674 GPRESSAVG: 3395800 20.4978 37.3171 29.7284 40.002 -34.3089 10.9534 34.0862 16.8055 5.01292 TIMING: 3395800 CPU: 10731.4, 0.00315481/step Wall: 10731.4, 0.00315481/step, 1.40582 hours remaining, 237.699219 MB of memory in use. ENERGY: 3395800 3949.0515 20462.1189 14378.4499 257.8848 -203451.0940 2728.5531 0.0000 0.0000 52122.0897 -109552.9462 299.5464 -161675.0359 -109189.5258 299.0302 185.3104 216.7544 759876.1937 -3.2159 -2.9327 PRESSURE: 3396000 -503.912 -133.781 191.95 -133.782 -257.976 -197.947 191.951 -197.947 -50.4162 GPRESSURE: 3396000 -458.978 -67.3041 95.8754 -20.9349 -188.234 -249.871 191.858 -245.008 -96.9458 PRESSAVG: 3396000 8.06497 -9.18717 4.80352 -9.18721 10.7503 -65.4961 4.80349 -65.4961 -10.5246 GPRESSAVG: 3396000 8.7274 -7.28986 4.54027 -8.77324 9.99575 -64.2072 4.75622 -65.5123 -10.3454 TIMING: 3396000 CPU: 10732.1, 0.00314981/step Wall: 10732.1, 0.00314981/step, 1.40341 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3396000 4055.9793 20532.9123 14410.4138 231.0618 -203348.6035 2311.8054 0.0000 0.0000 52162.1913 -109644.2396 299.7768 -161806.4309 -109279.4558 298.9131 -270.7680 -248.0525 760323.3014 2.7635 2.7926 PRESSURE: 3396200 -221.905 168.382 -68.4959 168.383 -211.785 -198.806 -68.4954 -198.804 -668.363 GPRESSURE: 3396200 -168.515 177.342 59.7121 239.691 -196.285 -87.0214 -74.3168 -79.1184 -653.794 PRESSAVG: 3396200 -18.0474 38.9642 24.8513 38.9642 -17.4383 -47.4232 24.8512 -47.4233 -13.4707 GPRESSAVG: 3396200 -18.761 38.665 29.1404 37.8685 -16.1016 -45.885 23.1251 -48.1362 -14.447 TIMING: 3396200 CPU: 10732.7, 0.00316354/step Wall: 10732.7, 0.00316354/step, 1.40936 hours remaining, 237.699219 MB of memory in use. ENERGY: 3396200 4046.6119 20464.1150 14481.3097 234.9660 -203135.8059 2315.5105 0.0000 0.0000 51793.5083 -109799.7846 297.6580 -161593.2928 -109437.4372 298.3395 -367.3512 -339.5312 760458.2034 -16.3188 -16.4365 LDB: ============= START OF LOAD BALANCING ============== 10745.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10745.1 LDB: =============== DONE WITH MIGRATION ================ 10745.1 LDB: ============= START OF LOAD BALANCING ============== 10745.4 LDB: Largest compute 7068 load 0.031369 is 16.0% of average load 0.196033 LDB: Average compute 0.004391 is 2.2% of average load 0.196033 LDB: TIME 10745.4 LOAD: AVG 0.196033 MAX 0.215334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 10745.4 LOAD: AVG 0.196033 MAX 0.215334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.246 MB LDB: TIME 10745.4 LOAD: AVG 0.196033 MAX 0.215334 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10745.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10745.4 PRESSURE: 3396400 -180.094 -7.10112 -38.929 -7.10009 -310.9 -145.74 -38.9291 -145.74 -373.389 GPRESSURE: 3396400 -112.584 -68.2928 -84.2245 -29.4627 -336.387 -165.486 -76.7912 -153.938 -322.546 PRESSAVG: 3396400 34.7646 -10.2019 27.8565 -10.2019 -27.3535 -8.13412 27.8565 -8.13402 -11.8052 GPRESSAVG: 3396400 35.0053 -11.3648 22.0549 -10.4796 -27.9598 -9.72589 32.0177 -5.60636 -10.9111 TIMING: 3396400 CPU: 10733.3, 0.00324047/step Wall: 10733.3, 0.00324047/step, 1.44345 hours remaining, 237.128906 MB of memory in use. ENERGY: 3396400 3979.2283 20685.1878 14453.5487 264.0382 -203251.5565 2447.9401 0.0000 0.0000 51579.8098 -109841.8037 296.4299 -161421.6135 -109476.4088 298.4194 -288.1280 -257.1722 762122.3502 -1.4647 -1.2885 PRESSURE: 3396600 -51.7288 197.384 -74.9323 197.385 -356.726 12.5646 -74.9328 12.563 337.932 GPRESSURE: 3396600 77.0229 215.072 -95.8572 133.584 -327.853 -22.0909 -177.069 -18.2806 257.491 PRESSAVG: 3396600 20.3072 -40.6292 9.76851 -40.6291 7.62064 -4.73954 9.76853 -4.73956 5.70376 GPRESSAVG: 3396600 20.9145 -39.9919 12.5959 -41.7175 8.04624 -3.42527 7.38982 -8.5037 4.92916 TIMING: 3396600 CPU: 10734, 0.00317972/step Wall: 10734, 0.00317972/step, 1.41621 hours remaining, 237.332031 MB of memory in use. ENERGY: 3396600 3940.6544 20430.0310 14524.5713 247.7804 -203490.6109 2564.1989 0.0000 0.0000 51858.1630 -109925.2118 298.0296 -161783.3748 -109555.9953 298.1699 -23.5075 2.2204 759622.9928 11.2105 11.2966 PRESSURE: 3396800 467.704 -233.945 55.8879 -233.945 32.4784 -105.842 55.8873 -105.842 197.759 GPRESSURE: 3396800 434.876 -325.112 129.808 -113.831 49.5665 -112.712 -65.4718 -35.8843 282.285 PRESSAVG: 3396800 -7.73852 -20.3078 57.838 -20.3078 -19.5381 -29.779 57.8379 -29.7791 2.52282 GPRESSAVG: 3396800 -7.17266 -21.885 56.6578 -19.7154 -19.6592 -30.3784 57.8432 -26.7903 1.93427 TIMING: 3396800 CPU: 10734.6, 0.00319748/step Wall: 10734.6, 0.00319748/step, 1.42394 hours remaining, 237.332031 MB of memory in use. ENERGY: 3396800 4031.1523 20517.0209 14437.7323 248.0764 -203967.2225 3122.5179 0.0000 0.0000 51637.1537 -109973.5690 296.7594 -161610.7227 -109614.7673 297.9831 232.6473 255.5758 760126.5055 -8.2513 -8.2992 PRESSURE: 3397000 38.3816 48.4873 74.4881 48.4881 65.8837 -126.48 74.4886 -126.48 456.544 GPRESSURE: 3397000 98.3995 133.345 166.316 52.6956 188.628 -172.783 149.327 -71.2678 365.077 PRESSAVG: 3397000 27.5188 -18.7856 -2.09768 -18.7856 -22.6558 -30.6942 -2.0977 -30.6942 22.7645 GPRESSAVG: 3397000 26.419 -16.8232 -0.405017 -18.3234 -22.8584 -28.7755 -2.16284 -31.4983 24.0054 TIMING: 3397000 CPU: 10735.2, 0.00314702/step Wall: 10735.2, 0.00314702/step, 1.4013 hours remaining, 237.332031 MB of memory in use. ENERGY: 3397000 3914.1501 20389.5133 14421.9539 225.6691 -203594.3181 2633.5894 0.0000 0.0000 52030.6495 -109978.7927 299.0209 -162009.4423 -109618.1574 298.2441 186.9363 217.3682 760693.9522 9.2092 9.1886 PRESSURE: 3397200 -395.629 69.2965 -188.835 69.2971 -318.231 180.705 -188.835 180.705 -13.9397 GPRESSURE: 3397200 -356.937 143.584 -154.815 78.2535 -276.84 103.429 -143.888 233.078 -19.0134 PRESSAVG: 3397200 30.1204 52.5082 -30.6033 52.5083 -41.1362 1.29447 -30.6033 1.29439 -2.57198 GPRESSAVG: 3397200 30.3194 52.407 -31.5118 53.4695 -39.373 -1.50521 -30.5782 0.5582 -4.22205 TIMING: 3397200 CPU: 10735.9, 0.00316302/step Wall: 10735.9, 0.00316302/step, 1.40825 hours remaining, 237.332031 MB of memory in use. ENERGY: 3397200 3908.7121 20564.2969 14459.5589 229.6930 -203398.1551 2589.3486 0.0000 0.0000 51856.6798 -109789.8659 298.0211 -161646.5456 -109426.3163 298.3975 -242.5999 -217.5968 762440.7219 -4.5292 -4.4252 PRESSURE: 3397400 -217.8 -5.59132 -198.136 -5.59213 -194.039 148.036 -198.136 148.036 -5.16162 GPRESSURE: 3397400 -89.0611 10.0455 -116.665 28.0145 -277.968 107.304 -255.128 89.7379 42.8626 PRESSAVG: 3397400 -38.3866 40.8258 7.10448 40.8257 3.22565 74.7393 7.10448 74.7392 -4.82354 GPRESSAVG: 3397400 -37.5594 41.2039 6.26313 40.2524 0.842213 74.8503 7.91066 74.1658 -3.00162 TIMING: 3397400 CPU: 10736.5, 0.00314904/step Wall: 10736.5, 0.00314904/step, 1.40185 hours remaining, 237.332031 MB of memory in use. ENERGY: 3397400 4008.2134 20555.0085 14495.7614 239.4389 -203359.2819 2572.9449 0.0000 0.0000 51792.7988 -109695.1159 297.6539 -161487.9147 -109338.1119 298.5760 -139.0001 -108.0554 761288.7143 -13.3282 -13.2396 PRESSURE: 3397600 29.9249 80.7489 37.876 80.749 -63.5614 -108.061 37.8757 -108.06 -141.452 GPRESSURE: 3397600 11.5517 118.095 -16.7556 9.58496 -49.5174 -33.8949 59.774 -98.9999 -48.8777 PRESSAVG: 3397600 47.0208 19.1722 36.2887 19.1723 -115.117 -1.60673 36.2887 -1.60668 -17.5396 GPRESSAVG: 3397600 46.5162 18.2511 36.973 19.6819 -114.995 -0.45982 36.0643 -2.1855 -17.5543 TIMING: 3397600 CPU: 10737.1, 0.00315425/step Wall: 10737.1, 0.00315425/step, 1.40399 hours remaining, 237.332031 MB of memory in use. ENERGY: 3397600 3992.0059 20429.2990 14463.6569 251.0091 -203384.2929 2452.5672 0.0000 0.0000 52157.3679 -109638.3868 299.7491 -161795.7547 -109277.6594 298.4889 -58.3630 -28.9478 760571.1201 -28.5452 -28.6776 PRESSURE: 3397800 -15.0293 -208.074 -22.4035 -208.075 -73.4984 8.14217 -22.4043 8.14221 124.698 GPRESSURE: 3397800 54.7313 -158.25 -60.346 -95.698 -14.4014 -42.9647 5.82197 -83.9781 80.2505 PRESSAVG: 3397800 -15.1266 -8.33771 41.6752 -8.33767 -25.3627 -19.4641 41.6752 -19.4641 -15.7535 GPRESSAVG: 3397800 -14.5062 -5.84679 40.5627 -9.88211 -26.0604 -20.8752 43.1435 -18.6123 -16.2449 TIMING: 3397800 CPU: 10737.8, 0.00317731/step Wall: 10737.8, 0.00317731/step, 1.41408 hours remaining, 237.332031 MB of memory in use. ENERGY: 3397800 3967.3218 20545.8956 14432.0013 247.3794 -203420.1200 2514.0227 0.0000 0.0000 52155.7575 -109557.7416 299.7399 -161713.4992 -109198.2987 299.3332 12.0568 40.1935 760812.0505 -18.7476 -18.9372 PRESSURE: 3398000 2.79551 -38.4773 262.884 -38.4773 64.6886 -258.634 262.884 -258.634 249.207 GPRESSURE: 3398000 59.1006 -28.7269 298.022 -92.5249 102.281 -226.194 222.596 -137.893 251.435 PRESSAVG: 3398000 -16.8336 41.6322 43.3671 41.6322 -28.0015 4.83471 43.3671 4.83465 18.7124 GPRESSAVG: 3398000 -17.0003 37.7799 43.7348 42.2374 -27.8693 4.7903 40.6276 4.51563 18.4281 TIMING: 3398000 CPU: 10738.4, 0.00317112/step Wall: 10738.4, 0.00317112/step, 1.41115 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3398000 3977.0695 20519.9390 14410.6367 262.4487 -203553.3369 2646.0166 0.0000 0.0000 52007.1130 -109730.1135 298.8856 -161737.2265 -109368.7701 298.7636 105.5636 137.6057 760149.6047 -8.7076 -8.8138 PRESSURE: 3398200 -184.238 -138.598 31.7506 -138.598 -335.074 16.4121 31.7509 16.4121 -6.49783 GPRESSURE: 3398200 -187.773 -122.841 8.64051 -139.779 -223.854 18.5077 3.49553 49.9342 -22.1247 PRESSAVG: 3398200 0.0706231 -2.4318 4.94221 -2.43179 -22.3526 -19.6103 4.94224 -19.6103 -8.80836 GPRESSAVG: 3398200 -1.04601 -2.16396 5.74083 -1.37739 -20.4024 -18.3029 6.26833 -20.2077 -9.02639 TIMING: 3398200 CPU: 10739, 0.00314067/step Wall: 10739, 0.00314067/step, 1.39742 hours remaining, 237.332031 MB of memory in use. ENERGY: 3398200 3986.9599 20365.3476 14427.7382 261.3591 -203897.6448 2736.3952 0.0000 0.0000 52300.9294 -109818.9155 300.5742 -162119.8449 -109451.2593 298.7383 -175.2700 -144.5840 760947.2185 -10.3634 -10.1583 PRESSURE: 3398400 275.24 45.1984 -17.0826 45.1979 -92.0224 -16.4155 -17.0837 -16.4149 267 GPRESSURE: 3398400 228.753 -2.26247 54.7496 57.1116 -26.1663 -41.1076 13.3125 -59.3829 327.515 PRESSAVG: 3398400 53.52 -35.9011 -18.7765 -35.9011 -59.1676 -52.3893 -18.7765 -52.3894 -33.6278 GPRESSAVG: 3398400 54.1585 -35.4467 -18.0651 -34.8251 -61.0969 -53.01 -18.5546 -50.6226 -32.502 TIMING: 3398400 CPU: 10739.7, 0.00316268/step Wall: 10739.7, 0.00316268/step, 1.40704 hours remaining, 237.332031 MB of memory in use. ENERGY: 3398400 4027.8400 20534.2336 14516.8855 251.7961 -204029.9741 2806.1891 0.0000 0.0000 52113.3282 -109779.7016 299.4960 -161893.0298 -109418.9139 298.3934 150.0726 176.7005 760693.5218 -13.0918 -13.1468 PRESSURE: 3398600 7.98951 -48.1353 25.702 -48.1355 103.823 55.4841 25.7025 55.4837 195.071 GPRESSURE: 3398600 25.015 -111.816 -21.39 44.6925 99.3627 -7.6012 29.6016 50.2896 262.174 PRESSAVG: 3398600 16.8226 -41.643 28.3303 -41.643 -35.2131 -16.7774 28.3303 -16.7773 14.935 GPRESSAVG: 3398600 17.1344 -39.0923 27.5184 -43.8759 -34.2023 -18.4268 28.4427 -16.9381 13.9243 TIMING: 3398600 CPU: 10740.3, 0.00317783/step Wall: 10740.3, 0.00317783/step, 1.41361 hours remaining, 237.332031 MB of memory in use. ENERGY: 3398600 3985.1430 20481.0504 14366.6699 259.4145 -203424.1792 2696.3964 0.0000 0.0000 51796.1388 -109839.3663 297.6731 -161635.5051 -109483.3152 298.2910 102.2948 128.8505 760103.0880 -1.1518 -1.0479 PRESSURE: 3398800 -131.777 158.184 11.7231 158.184 9.75389 -101.659 11.7228 -101.658 -49.5614 GPRESSURE: 3398800 -77.0261 182.861 44.6761 194.345 28.8055 -68.9912 96.488 -137.282 -42.139 PRESSAVG: 3398800 51.1006 3.6715 -29.2151 3.67142 -55.2202 -25.3969 -29.215 -25.3969 -10.0889 GPRESSAVG: 3398800 52.4194 1.98739 -28.1345 5.93125 -57.1848 -24.27 -29.5661 -24.377 -9.58594 TIMING: 3398800 CPU: 10740.9, 0.00315649/step Wall: 10740.9, 0.00315649/step, 1.40394 hours remaining, 237.332031 MB of memory in use. ENERGY: 3398800 3965.6978 20439.0586 14383.9681 269.6195 -203560.4292 2644.7216 0.0000 0.0000 52119.0664 -109738.2972 299.5290 -161857.3636 -109367.8929 298.7821 -57.1949 -30.1199 760268.6019 -4.7361 -4.7838 PRESSURE: 3399000 -165.813 -81.0647 -117.971 -81.0644 -270.865 61.0322 -117.971 61.0332 -113.579 GPRESSURE: 3399000 -90.3243 -38.7384 -217.379 -155.357 -265.033 -59.9388 -107.922 111.244 -93.8918 PRESSAVG: 3399000 35.2568 42.3403 -20.8539 42.3403 -16.3587 16.7819 -20.8539 16.7818 3.47874 GPRESSAVG: 3399000 35.1879 42.419 -22.0543 41.9969 -15.9793 16.3452 -21.6208 16.4578 2.9888 TIMING: 3399000 CPU: 10741.6, 0.00320582/step Wall: 10741.6, 0.00320582/step, 1.4257 hours remaining, 237.332031 MB of memory in use. ENERGY: 3399000 4003.3636 20407.8748 14488.5969 254.9461 -203445.9131 2539.4272 0.0000 0.0000 51911.1303 -109840.5741 298.3340 -161751.7044 -109483.3511 298.1477 -183.4187 -149.7496 761394.6231 7.4589 7.3991 PRESSURE: 3399200 234.526 45.3322 40.5267 45.3333 -154.335 -105.505 40.527 -105.505 -370.379 GPRESSURE: 3399200 138.496 183.226 71.4506 -39.1631 -60.5333 -157.358 -6.97264 -150.669 -289.751 PRESSAVG: 3399200 -2.06573 24.7651 -15.823 24.7652 -35.4387 -17.0304 -15.8229 -17.0304 0.801006 GPRESSAVG: 3399200 -2.87773 25.4295 -16.9511 23.4084 -36.1189 -16.6921 -14.0118 -19.6467 2.31635 TIMING: 3399200 CPU: 10742.2, 0.00316103/step Wall: 10742.2, 0.00316103/step, 1.4056 hours remaining, 237.332031 MB of memory in use. ENERGY: 3399200 3935.0504 20575.1231 14431.8690 241.4643 -203701.5322 2639.0808 0.0000 0.0000 51940.3855 -109938.5590 298.5021 -161878.9445 -109575.9716 298.5849 -96.7294 -70.5960 761332.3572 -12.2345 -12.2268 PRESSURE: 3399400 -195.696 -11.8771 -233.014 -11.8766 -198.292 53.8617 -233.015 53.8603 -104.354 GPRESSURE: 3399400 -113.546 12.2389 -335.316 49.9349 -212.385 70.1751 -193.668 53.8821 -98.8589 PRESSAVG: 3399400 19.6127 -14.7065 18.1781 -14.7065 -31.2638 -25.6801 18.1781 -25.6802 6.71895 GPRESSAVG: 3399400 18.9975 -15.1917 19.908 -13.044 -29.5097 -24.7027 16.3613 -24.8378 5.70717 TIMING: 3399400 CPU: 10742.8, 0.00314511/step Wall: 10742.8, 0.00314511/step, 1.39835 hours remaining, 237.332031 MB of memory in use. ENERGY: 3399400 3952.7386 20407.0937 14455.0363 254.3039 -202805.9606 2270.8744 0.0000 0.0000 51669.5360 -109796.3777 296.9455 -161465.9138 -109425.4668 298.3082 -166.1138 -141.5964 762222.2902 -1.6440 -1.6017 PRESSURE: 3399600 -245.877 -227.965 160.972 -227.964 74.1145 75.2781 160.972 75.2794 53.3968 GPRESSURE: 3399600 -168.151 -167.915 205.427 -210.553 38.6558 62.078 127.082 127.463 84.6495 PRESSAVG: 3399600 -29.913 29.2588 8.21951 29.2588 -9.01353 -37.9541 8.21951 -37.9542 6.91114 GPRESSAVG: 3399600 -29.3621 27.2386 6.22721 29.1792 -10.4289 -36.7772 7.31897 -37.7411 7.59973 TIMING: 3399600 CPU: 10743.5, 0.00318836/step Wall: 10743.5, 0.00318836/step, 1.4174 hours remaining, 237.332031 MB of memory in use. ENERGY: 3399600 3962.0284 20471.4319 14440.6242 268.8372 -203220.3704 2529.1298 0.0000 0.0000 51756.9455 -109791.3734 297.4479 -161548.3188 -109426.6872 298.1390 -39.4554 -14.9486 762567.7051 -10.6718 -10.7304 PRESSURE: 3399800 458.827 -229.081 42.5574 -229.081 114.943 78.9317 42.5569 78.9314 168.215 GPRESSURE: 3399800 457.46 -216.585 -12.5254 -151.631 250.929 63.0122 -23.6442 52.8057 118.693 PRESSAVG: 3399800 -26.9694 -25.2122 44.2568 -25.2122 25.3511 1.59799 44.2569 1.59802 16.5216 GPRESSAVG: 3399800 -27.2993 -23.0855 45.279 -26.8729 26.3242 0.497801 47.1192 3.05461 15.5453 TIMING: 3399800 CPU: 10744.1, 0.00316007/step Wall: 10744.1, 0.00316007/step, 1.40465 hours remaining, 237.332031 MB of memory in use. ENERGY: 3399800 3965.1631 20569.2652 14423.6330 234.5772 -203846.8433 2855.8598 0.0000 0.0000 52170.7147 -109627.6303 299.8258 -161798.3450 -109269.7356 298.4765 247.3285 275.6939 759860.0936 4.9678 4.8567 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400000 -39.0952 170.661 -103.374 170.66 -15.8221 -294.636 -103.374 -294.637 -217.175 GPRESSURE: 3400000 20.243 115.147 -141.255 112.27 -24.7348 -243.071 -60.9069 -412.525 -188.498 PRESSAVG: 3400000 -18.2656 -21.0674 7.3435 -21.0674 -10.1276 -41.6807 7.34344 -41.6807 19.2017 GPRESSAVG: 3400000 -17.683 -23.1211 7.51879 -20.47 -10.8172 -42.4711 7.68088 -42.6529 19.2902 TIMING: 3400000 CPU: 10744.8, 0.00325328/step Wall: 10744.8, 0.00325328/step, 1.4459 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3400000 4031.4500 20337.1763 14437.7511 253.9025 -203475.4945 2602.6180 0.0000 0.0000 52054.6626 -109757.9339 299.1589 -161812.5965 -109402.6864 298.8027 -90.6974 -64.3299 761942.8657 -3.0638 -3.0700 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 PRESSURE: 3400200 -172.457 -203.17 270.617 -203.17 247.879 287.337 270.618 287.339 -42.2299 GPRESSURE: 3400200 -172.242 -14.6074 261.322 -189.466 309.784 397.178 190.392 218.915 -20.1281 PRESSAVG: 3400200 2.31929 7.54863 -33.9565 7.54866 -34.1285 42.756 -33.9564 42.7561 14.3173 GPRESSAVG: 3400200 1.39266 7.5514 -34.3591 8.71323 -34.1557 43.5795 -36.0699 42.5696 14.7351 TIMING: 3400200 CPU: 10745.4, 0.00314371/step Wall: 10745.4, 0.00314371/step, 1.39703 hours remaining, 237.332031 MB of memory in use. ENERGY: 3400200 3926.7871 20421.4087 14454.6433 252.5265 -203555.4565 2489.2032 0.0000 0.0000 52122.3149 -109888.5728 299.5477 -162010.8877 -109519.0793 298.7265 11.0639 39.1382 760200.3604 -5.8306 -6.0093 LDB: ============= START OF LOAD BALANCING ============== 10757.8 LDB: ============== END OF LOAD BALANCING =============== 10757.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10757.8 LDB: ============= START OF LOAD BALANCING ============== 10758.1 LDB: Largest compute 7024 load 0.029870 is 15.2% of average load 0.196089 LDB: Average compute 0.004364 is 2.2% of average load 0.196089 LDB: TIME 10758.1 LOAD: AVG 0.196089 MAX 0.216152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 10758.1 LOAD: AVG 0.196089 MAX 0.216152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: TIME 10758.1 LOAD: AVG 0.196089 MAX 0.216152 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10758.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10758.1 PRESSURE: 3400400 7.75861 76.177 208.653 76.1767 -11.6381 -232.112 208.652 -232.112 79.092 GPRESSURE: 3400400 -24.4556 190.391 325.748 50.0485 100.895 -256.378 251.297 -198.883 85.0095 PRESSAVG: 3400400 -84.1162 5.13687 22.8269 5.1369 74.5629 46.4447 22.8269 46.4447 -11.9761 GPRESSAVG: 3400400 -83.4104 4.22824 24.0958 4.7921 75.502 45.8046 23.6773 45.7676 -13.0655 TIMING: 3400400 CPU: 10746, 0.00320116/step Wall: 10746, 0.00320116/step, 1.42238 hours remaining, 238.152344 MB of memory in use. ENERGY: 3400400 3904.8454 20504.0578 14424.5889 235.3077 -203668.1851 2824.2140 0.0000 0.0000 52005.7516 -109769.4197 298.8778 -161775.1714 -109400.0367 298.6496 25.0708 53.8164 761844.2122 -7.1765 -6.9913 PRESSURE: 3400600 -602.159 -36.536 -250.384 -36.5358 -49.6109 3.27057 -250.384 3.27005 -130.72 GPRESSURE: 3400600 -482.766 28.0279 -180.228 -74.7393 -69.5049 67.9128 -163.915 -37.5264 -129.373 PRESSAVG: 3400600 -27.9603 1.62664 8.67672 1.62674 11.4775 43.7058 8.67666 43.7058 18.6191 GPRESSAVG: 3400600 -29.2261 4.31782 7.8598 2.52264 11.5937 45.2207 9.00263 43.7675 19.933 TIMING: 3400600 CPU: 10746.7, 0.00312711/step Wall: 10746.7, 0.00312711/step, 1.3893 hours remaining, 238.355469 MB of memory in use. ENERGY: 3400600 3997.7745 20593.9874 14387.0659 239.2257 -203338.0363 2449.9623 0.0000 0.0000 52056.8991 -109613.1215 299.1717 -161670.0206 -109259.0152 298.8230 -260.8301 -227.2144 761267.9480 0.7121 0.7669 PRESSURE: 3400800 -256.264 -23.2586 -153.352 -23.2581 221.004 -26.4919 -153.352 -26.4932 -9.28203 GPRESSURE: 3400800 -118.597 106.126 -154.201 -1.55258 133.688 -25.3121 -47.7153 24.3805 19.2502 PRESSAVG: 3400800 -18.8231 56.4302 -50.3987 56.4302 50.4796 11.8782 -50.3987 11.8782 11.05 GPRESSAVG: 3400800 -17.861 55.9465 -51.1949 55.6744 50.8342 9.86176 -49.7987 12.813 10.3184 TIMING: 3400800 CPU: 10747.3, 0.00314776/step Wall: 10747.3, 0.00314776/step, 1.39831 hours remaining, 238.355469 MB of memory in use. ENERGY: 3400800 3966.1632 20358.1326 14340.8877 262.6712 -203113.5972 2569.8837 0.0000 0.0000 52167.7283 -109448.1305 299.8087 -161615.8587 -109087.2640 298.9696 -14.8475 11.4472 760609.4445 14.2355 14.4305 PRESSURE: 3401000 159.776 77.0924 150.349 77.092 133.337 -20.5491 150.348 -20.5477 -97.8344 GPRESSURE: 3401000 157.517 70.8594 212.323 73.7521 209.101 -33.6595 33.5248 106.967 -92.6924 PRESSAVG: 3401000 -24.471 -20.1726 13.3246 -20.1726 14.9969 -35.0293 13.3246 -35.0293 5.60043 GPRESSAVG: 3401000 -24.7423 -20.0904 14.8786 -20.8636 14.1962 -34.6575 10.8929 -35.2615 6.68942 TIMING: 3401000 CPU: 10747.9, 0.00314507/step Wall: 10747.9, 0.00314507/step, 1.39694 hours remaining, 238.355469 MB of memory in use. ENERGY: 3401000 3986.4126 20440.5565 14449.5033 237.9932 -203382.3650 2710.2224 0.0000 0.0000 52036.5195 -109521.1575 299.0546 -161557.6770 -109158.4549 299.5652 65.0927 91.3085 762183.0253 -1.2912 -1.2856 PRESSURE: 3401200 -323.678 -5.13713 80.8653 -5.13589 -213.543 -131.421 80.8653 -131.42 -219.833 GPRESSURE: 3401200 -253.48 24.8109 95.5025 -35.4376 -211.329 -118.509 -21.7434 -173.986 -215.08 PRESSAVG: 3401200 1.99885 -3.44198 -26.9716 -3.44201 -7.13869 -26.8301 -26.9717 -26.83 -1.22714 GPRESSAVG: 3401200 2.83292 -3.94638 -26.9698 -2.60275 -6.77625 -25.5215 -25.8985 -26.7665 -2.20782 TIMING: 3401200 CPU: 10748.5, 0.00315411/step Wall: 10748.5, 0.00315411/step, 1.40077 hours remaining, 238.355469 MB of memory in use. ENERGY: 3401200 3972.4462 20497.1284 14362.6799 253.1709 -203462.4540 2578.3192 0.0000 0.0000 52135.5958 -109663.1135 299.6240 -161798.7093 -109301.1618 298.6161 -252.3513 -226.6296 761962.9587 -2.1223 -2.0504 PRESSURE: 3401400 -172.991 141.591 -202.597 141.591 -126.785 -249.107 -202.596 -249.106 -63.6423 GPRESSURE: 3401400 -151.582 98.4827 -287.263 161.121 -58.3826 -252.748 -20.2889 -166.074 -70.6686 PRESSAVG: 3401400 6.62697 -8.73735 26.8793 -8.73739 -1.77002 0.256367 26.8793 0.256404 -0.940807 GPRESSAVG: 3401400 6.80922 -6.95477 26.419 -9.94737 -1.57069 0.498675 27.5164 -1.03601 -1.13343 TIMING: 3401400 CPU: 10749.2, 0.00317527/step Wall: 10749.2, 0.00317527/step, 1.40999 hours remaining, 238.355469 MB of memory in use. ENERGY: 3401400 3882.2023 20507.0290 14488.4395 231.9334 -203491.1119 2526.6064 0.0000 0.0000 52200.7768 -109654.1245 299.9986 -161854.9012 -109285.6521 299.0081 -121.1393 -93.5445 761065.8666 1.3054 1.3684 PRESSURE: 3401600 -237.135 -93.0296 170.987 -93.0302 -423.366 -137.834 170.987 -137.833 -305.696 GPRESSURE: 3401600 -299.533 10.14 159.327 -93.1914 -332.121 -50.3562 191.37 -115.388 -247.719 PRESSAVG: 3401600 -9.69577 43.0864 -32.4121 43.0863 -5.57849 5.07523 -32.4121 5.07534 -2.57208 GPRESSAVG: 3401600 -11.4233 41.9911 -31.8028 40.8752 -5.19699 3.55328 -33.4893 7.53586 -1.44839 TIMING: 3401600 CPU: 10749.8, 0.00317858/step Wall: 10749.8, 0.00317858/step, 1.41129 hours remaining, 238.355469 MB of memory in use. ENERGY: 3401600 4006.9989 20544.5954 14437.6191 262.2948 -203019.9673 2298.9382 0.0000 0.0000 52311.4153 -109158.1056 300.6344 -161469.5209 -108794.2340 299.0187 -322.0658 -293.1243 764303.0427 -5.9488 -6.0229 PRESSURE: 3401800 47.1355 150.032 -51.5444 150.034 -50.3848 -85.7349 -51.5436 -85.7353 344.509 GPRESSURE: 3401800 148.152 179.512 -20.8669 190.046 7.83073 -73.0002 42.5231 -79.8105 271.505 PRESSAVG: 3401800 -9.40407 89.7647 -28.1536 89.7648 28.7677 27.3452 -28.1535 27.3451 -23.6657 GPRESSAVG: 3401800 -9.82266 89.3712 -28.1001 92.6395 28.6215 27.2827 -29.5966 24.709 -23.6516 TIMING: 3401800 CPU: 10750.5, 0.00318442/step Wall: 10750.5, 0.00318442/step, 1.41371 hours remaining, 238.355469 MB of memory in use. ENERGY: 3401800 3914.0747 20477.6315 14443.1728 253.8240 -203405.4562 2653.9642 0.0000 0.0000 52199.4102 -109463.3786 299.9907 -161662.7889 -109092.2760 299.7796 113.7533 142.4956 760695.0918 -1.4340 -1.6176 PRESSURE: 3402000 -119.388 -89.3764 274.35 -89.3766 262.873 -130.759 274.35 -130.758 177.248 GPRESSURE: 3402000 -5.41533 -156.957 234.413 -146.604 292.954 -132.06 234.974 -209.149 131.793 PRESSAVG: 3402000 5.06204 -20.6153 -2.7907 -20.6153 -30.9673 67.9175 -2.79069 67.9176 8.06469 GPRESSAVG: 3402000 6.19989 -19.6569 -1.04912 -20.5982 -30.9877 69.5401 -1.97332 66.999 7.64551 TIMING: 3402000 CPU: 10751.1, 0.00319609/step Wall: 10751.1, 0.00319609/step, 1.41871 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3402000 3893.8745 20264.0534 14438.8366 242.0257 -203337.8073 2555.2793 0.0000 0.0000 52121.3802 -109822.3575 299.5423 -161943.7377 -109451.9138 298.5924 106.9108 139.7771 761377.7890 -5.9469 -5.7141 PRESSURE: 3402200 -71.7537 -73.7872 -64.8981 -73.7865 124.256 -180.252 -64.8983 -180.251 269.368 GPRESSURE: 3402200 -53.7619 -49.427 -32.3393 -118.177 138.107 -184.716 -251.604 -278.284 317.817 PRESSAVG: 3402200 17.7187 -20.6361 33.413 -20.6361 26.828 32.7654 33.413 32.7654 -26.0887 GPRESSAVG: 3402200 16.8349 -21.3338 32.3529 -21.8124 26.8358 31.2845 32.6435 35.3252 -25.2581 TIMING: 3402200 CPU: 10751.7, 0.00318775/step Wall: 10751.7, 0.00318775/step, 1.41483 hours remaining, 238.355469 MB of memory in use. ENERGY: 3402200 4029.8890 20451.5917 14431.2682 234.8868 -203650.5719 2603.3498 0.0000 0.0000 52021.9262 -109877.6602 298.9707 -161899.5864 -109506.2951 298.7439 107.2900 134.0539 760077.0667 6.1526 6.1375 PRESSURE: 3402400 -138.595 -153.664 -216.282 -153.664 14.3649 -46.1497 -216.282 -46.1494 -276.107 GPRESSURE: 3402400 -154.334 -79.0328 -237.617 -157.992 92.9539 -64.2386 -187.71 -147.158 -262.49 PRESSAVG: 3402400 -42.3843 -60.7114 -47.0468 -60.7114 17.0202 54.8817 -47.0467 54.8818 -35.9459 GPRESSAVG: 3402400 -43.269 -59.9485 -49.241 -61.3201 18.2017 55.0775 -45.2109 55.5701 -36.1086 TIMING: 3402400 CPU: 10752.4, 0.00317022/step Wall: 10752.4, 0.00317022/step, 1.40688 hours remaining, 238.355469 MB of memory in use. ENERGY: 3402400 4047.8700 20277.4371 14464.1094 240.8497 -203402.8356 2504.7777 0.0000 0.0000 51924.3799 -109943.4119 298.4101 -161867.7918 -109575.9453 298.2077 -133.4456 -107.9565 760915.4070 -20.4367 -20.3920 PRESSURE: 3402600 -274.447 -174.567 -4.11692 -174.567 -328.504 -243.84 -4.11749 -243.84 -45.172 GPRESSURE: 3402600 -218.703 -195.867 -83.1039 -102.477 -317.206 -210.026 40.5685 -235.954 -38.2897 PRESSAVG: 3402600 -5.50564 -39.1398 2.21049 -39.1397 -31.8452 37.7831 2.2105 37.7831 10.3521 GPRESSAVG: 3402600 -2.95154 -37.4422 3.41465 -36.644 -33.3888 38.5528 1.99944 36.8711 9.23561 TIMING: 3402600 CPU: 10753, 0.00319689/step Wall: 10753, 0.00319689/step, 1.41853 hours remaining, 238.355469 MB of memory in use. ENERGY: 3402600 3948.8820 20629.8367 14437.8295 296.1180 -203731.1248 2535.6131 0.0000 0.0000 51820.2319 -110062.6134 297.8116 -161882.8454 -109703.7881 298.2845 -216.0409 -191.3998 761289.6652 -8.9996 -9.0349 PRESSURE: 3402800 90.5099 -54.6975 -95.1448 -54.6966 -4.40691 -71.8004 -95.1448 -71.8003 -114.926 GPRESSURE: 3402800 72.4914 -190.242 -123.566 -23.8637 95.4613 -138.554 -117.282 -61.8336 -118.494 PRESSAVG: 3402800 25.8704 -50.0097 4.24553 -50.0097 9.35001 75.8968 4.24557 75.8967 -8.41171 GPRESSAVG: 3402800 24.0401 -52.841 4.54993 -49.267 10.5594 74.4754 5.08173 76.0685 -7.46637 TIMING: 3402800 CPU: 10753.6, 0.0031859/step Wall: 10753.6, 0.0031859/step, 1.41348 hours remaining, 238.355469 MB of memory in use. ENERGY: 3402800 3978.4816 20570.4031 14432.2090 238.6364 -203762.6890 2792.3204 0.0000 0.0000 51674.8453 -110075.7932 296.9760 -161750.6385 -109723.9138 298.1506 -9.6077 16.4863 760930.6437 8.9362 9.0444 PRESSURE: 3403000 -98.1567 -63.9525 -45.0173 -63.9523 -430.498 236.565 -45.0175 236.566 -172.684 GPRESSURE: 3403000 -114.536 -209.472 -33.4483 -51.1479 -302.15 164.985 -108.981 148.87 -216.897 PRESSAVG: 3403000 8.89278 12.9155 -8.71261 12.9154 -10.9534 28.4679 -8.71262 28.4678 -2.95736 GPRESSAVG: 3403000 9.48691 13.3078 -8.57258 9.74295 -10.8058 30.5367 -8.45772 26.1375 -3.71962 TIMING: 3403000 CPU: 10754.3, 0.00318998/step Wall: 10754.3, 0.00318998/step, 1.41511 hours remaining, 238.355469 MB of memory in use. ENERGY: 3403000 4010.7735 20302.4950 14437.5253 245.6556 -203583.4904 2550.8537 0.0000 0.0000 51950.4614 -110085.7260 298.5600 -162036.1874 -109719.0682 298.0891 -233.7794 -211.1943 760275.6944 -1.6726 -1.6795 PRESSURE: 3403200 33.743 185.096 -152.313 185.096 -122.279 -2.08331 -152.313 -2.08285 -110.399 GPRESSURE: 3403200 22.8217 113.011 -193.089 108.644 3.98276 -13.3724 -149.031 -2.18087 -133.217 PRESSAVG: 3403200 35.5048 35.3958 -36.9424 35.3958 -66.4648 39.5263 -36.9424 39.5263 -2.70095 GPRESSAVG: 3403200 36.2676 36.2725 -38.3563 35.3562 -67.644 39.3469 -35.8042 41.583 -2.53913 TIMING: 3403200 CPU: 10754.9, 0.00317036/step Wall: 10754.9, 0.00317036/step, 1.40623 hours remaining, 238.355469 MB of memory in use. ENERGY: 3403200 4014.8592 20420.5514 14473.8356 246.0532 -203885.7228 2761.9090 0.0000 0.0000 51886.0193 -110082.4951 298.1897 -161968.5144 -109721.8237 298.0033 -66.3116 -35.4708 760670.1782 -11.2203 -11.3052 PRESSURE: 3403400 -284.315 5.36435 -48.619 5.36452 179.278 -163.432 -48.6187 -163.434 -164.131 GPRESSURE: 3403400 -241.98 -4.91026 24.1169 -21.8599 195.376 -149.451 -51.5909 -154.488 -107.152 PRESSAVG: 3403400 10.6944 -24.1608 -86.6155 -24.1607 32.6579 -3.49608 -86.6154 -3.49612 -0.671138 GPRESSAVG: 3403400 10.9115 -23.8372 -85.3255 -24.4242 32.5656 -3.95756 -87.0998 -2.66978 -0.926042 TIMING: 3403400 CPU: 10755.5, 0.00314163/step Wall: 10755.5, 0.00314163/step, 1.39331 hours remaining, 238.355469 MB of memory in use. ENERGY: 3403400 4015.4620 20377.2649 14540.4860 260.2431 -203391.2269 2320.2174 0.0000 0.0000 51903.0436 -109974.5099 298.2875 -161877.5534 -109617.4112 298.0415 -89.7228 -51.2521 759513.3015 14.2271 14.1837 PRESSURE: 3403600 -515.009 235.595 -124.68 235.596 -100.782 -35.8329 -124.68 -35.8332 -110.703 GPRESSURE: 3403600 -474.204 151.777 -120.83 298.769 -119.355 -21.315 -73.7677 4.72075 -49.7883 PRESSAVG: 3403600 -9.36705 -7.57394 -45.0003 -7.57401 11.636 21.8951 -45.0003 21.895 6.43222 GPRESSAVG: 3403600 -9.0606 -7.8974 -46.2604 -7.29713 11.539 20.836 -45.9189 22.6092 6.01536 TIMING: 3403600 CPU: 10756.2, 0.0031397/step Wall: 10756.2, 0.0031397/step, 1.39228 hours remaining, 238.355469 MB of memory in use. ENERGY: 3403600 4076.1971 20343.9216 14489.6177 258.6515 -203597.7064 2485.5147 0.0000 0.0000 51845.4571 -110098.3467 297.9566 -161943.8038 -109739.0443 298.5805 -242.1648 -214.4492 761065.7127 2.9004 2.8312 PRESSURE: 3403800 114.46 147.54 -35.7431 147.54 -352.288 -203.525 -35.7419 -203.525 -232.04 GPRESSURE: 3403800 110.745 188.837 -72.7569 82.6267 -309.84 -269.243 -65.5937 -142.651 -202.04 PRESSAVG: 3403800 2.18878 -43.8011 -32.6136 -43.8012 -29.1087 46.9569 -32.6136 46.9569 -0.456081 GPRESSAVG: 3403800 1.57843 -44.7616 -31.7888 -42.2428 -28.2586 48.2859 -31.5984 46.9851 -0.290608 TIMING: 3403800 CPU: 10756.8, 0.00317017/step Wall: 10756.8, 0.00317017/step, 1.40562 hours remaining, 238.355469 MB of memory in use. ENERGY: 3403800 4087.0411 20286.5219 14529.9211 239.9564 -203688.6943 2650.4545 0.0000 0.0000 51764.1344 -110130.6648 297.4892 -161894.7992 -109770.5869 297.8556 -156.6228 -133.7116 760386.7004 -9.1253 -8.9903 PRESSURE: 3404000 -103.037 185.552 35.6856 185.552 -256.415 19.1944 35.6858 19.1951 -199.45 GPRESSURE: 3404000 -83.5122 112.594 -21.0901 196.048 -202.669 68.7286 114.173 -68.033 -180.458 PRESSAVG: 3404000 -6.89788 43.8662 10.3703 43.8662 -50.4852 -40.2143 10.3703 -40.2141 -21.2347 GPRESSAVG: 3404000 -7.42513 44.1818 10.8221 40.8911 -50.8208 -38.6882 10.3816 -41.6611 -20.525 TIMING: 3404000 CPU: 10757.4, 0.0031646/step Wall: 10757.4, 0.0031646/step, 1.40297 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3404000 3947.0957 20487.7307 14477.7814 233.3118 -203191.0461 2269.5701 0.0000 0.0000 51757.5029 -110018.0534 297.4511 -161775.5563 -109661.2542 297.7409 -186.3006 -155.5464 759735.5391 -26.2059 -26.2570 PRESSURE: 3404200 -84.3372 -73.3977 102.778 -73.398 40.8421 -19.6919 102.778 -19.6917 26.6493 GPRESSURE: 3404200 -101.414 33.3287 108.382 -85.9387 106.589 -74.9344 83.9215 -16.9771 54.781 PRESSAVG: 3404200 52.2851 19.5719 28.3006 19.5719 -51.9935 -45.7634 28.3007 -45.7634 5.00262 GPRESSAVG: 3404200 51.8109 21.1967 27.3321 22.6945 -52.0486 -47.4329 29.2459 -47.1517 4.87561 TIMING: 3404200 CPU: 10758.1, 0.00315617/step Wall: 10758.1, 0.00315617/step, 1.39906 hours remaining, 238.355469 MB of memory in use. ENERGY: 3404200 3971.7494 20304.9150 14406.6530 251.9856 -203530.1424 2605.2617 0.0000 0.0000 51759.9318 -110229.6460 297.4650 -161989.5778 -109868.6555 297.7641 -5.6153 19.9854 759607.1173 1.7647 1.5460 LDB: ============= START OF LOAD BALANCING ============== 10770.5 LDB: ============== END OF LOAD BALANCING =============== 10770.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10770.5 LDB: ============= START OF LOAD BALANCING ============== 10770.8 LDB: Largest compute 7070 load 0.030620 is 15.6% of average load 0.196134 LDB: Average compute 0.004367 is 2.2% of average load 0.196134 LDB: TIME 10770.8 LOAD: AVG 0.196134 MAX 0.215808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 10770.8 LOAD: AVG 0.196134 MAX 0.215808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 10770.8 LOAD: AVG 0.196134 MAX 0.215808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: ============== END OF LOAD BALANCING =============== 10770.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10770.8 PRESSURE: 3404400 295.606 -75.9416 150.206 -75.9414 -67.3928 106.356 150.206 106.357 -70.9202 GPRESSURE: 3404400 308.5 -100.648 203.325 -97.5639 -26.2412 140.973 295.207 22.8215 -20.6246 PRESSAVG: 3404400 12.7349 -26.6424 -12.5869 -26.6424 -34.1609 -29.2309 -12.587 -29.2309 14.531 GPRESSAVG: 3404400 11.6978 -29.5709 -11.5926 -24.9732 -32.6317 -28.3663 -13.5514 -29.9303 14.2809 TIMING: 3404400 CPU: 10758.7, 0.00322147/step Wall: 10758.7, 0.00322147/step, 1.42783 hours remaining, 238.613281 MB of memory in use. ENERGY: 3404400 3946.7085 20393.7157 14423.3749 263.2365 -203832.7855 2812.5294 0.0000 0.0000 51841.5946 -110151.6258 297.9344 -161993.2204 -109801.1527 297.7338 52.4310 87.2115 759986.2359 -2.2983 -2.2176 PRESSURE: 3404600 -123.718 40.1776 -195.398 40.1774 10.5984 8.84346 -195.397 8.84461 -89.8689 GPRESSURE: 3404600 -68.5382 25.9978 -223.591 161.133 -26.403 -91.7349 -75.8411 -98.3966 -15.3556 PRESSAVG: 3404600 5.05452 3.49468 2.39575 3.49473 14.5348 -23.6777 2.39574 -23.6776 11.701 GPRESSAVG: 3404600 6.70902 3.65949 2.56705 -0.522913 12.919 -24.8903 1.94503 -23.6723 12.4081 TIMING: 3404600 CPU: 10759.3, 0.00315773/step Wall: 10759.3, 0.00315772/step, 1.3994 hours remaining, 238.613281 MB of memory in use. ENERGY: 3404600 3987.3708 20319.9241 14393.9923 233.3533 -203336.0225 2420.4040 0.0000 0.0000 52061.5732 -109919.4048 299.1986 -161980.9780 -109559.4337 298.6003 -67.6627 -36.7656 759138.2515 10.4301 10.6787 PRESSURE: 3404800 -203.074 -240.126 -39.7512 -240.126 113.049 -226.762 -39.7514 -226.764 -113.338 GPRESSURE: 3404800 -146.483 -207.378 -59.2185 -185.462 155.729 -208.756 -61.0029 -133.707 -132.705 PRESSAVG: 3404800 50.4689 -46.2662 -34.3423 -46.2663 -23.2708 -39.3956 -34.3422 -39.3957 -12.235 GPRESSAVG: 3404800 49.922 -43.8599 -31.8066 -44.1514 -22.7225 -37.8247 -36.5767 -37.4799 -13.0756 TIMING: 3404800 CPU: 10760, 0.00316534/step Wall: 10760, 0.00316534/step, 1.4026 hours remaining, 238.613281 MB of memory in use. ENERGY: 3404800 3963.1407 20438.6805 14489.0590 261.2844 -203757.3514 2698.1921 0.0000 0.0000 51970.6122 -109936.3825 298.6758 -161906.9947 -109568.3779 298.7257 -67.7874 -41.1530 759129.9650 4.9877 4.7080 PRESSURE: 3405000 -226.318 221.561 11.5982 221.561 -268.861 298.054 11.5986 298.055 -60.0032 GPRESSURE: 3405000 -182.332 141.916 1.48876 295.367 -230.441 318.538 -52.2118 172.825 -50.985 PRESSAVG: 3405000 -12.8043 20.5383 -38.797 20.5383 -21.7225 -7.63359 -38.797 -7.63357 -7.97076 GPRESSAVG: 3405000 -13.8025 18.4983 -42.0309 20.1256 -21.7807 -7.44393 -34.2834 -8.19933 -6.38208 TIMING: 3405000 CPU: 10760.6, 0.0031495/step Wall: 10760.6, 0.0031495/step, 1.3954 hours remaining, 238.613281 MB of memory in use. ENERGY: 3405000 3994.2467 20341.0268 14495.4489 246.8832 -203627.2380 2728.6349 0.0000 0.0000 51894.4747 -109926.5228 298.2383 -161820.9974 -109559.1912 298.5227 -185.0606 -154.5860 760493.0633 -14.1659 -13.9884 PRESSURE: 3405200 -134.143 -245.617 2.30086 -245.617 -130.335 -17.4543 2.2996 -17.4548 -298.672 GPRESSURE: 3405200 -104.956 -183.469 -108.276 -226.707 -82.8153 -43.2828 -61.5112 -145.013 -299.421 PRESSAVG: 3405200 69.8566 31.5458 -51.7308 31.5458 -32.0771 -22.0057 -51.7308 -22.0057 -2.24646 GPRESSAVG: 3405200 71.2338 33.1476 -52.1957 32.2538 -32.9244 -23.6909 -53.1483 -21.758 -2.98326 TIMING: 3405200 CPU: 10761.2, 0.00315291/step Wall: 10761.2, 0.00315291/step, 1.39674 hours remaining, 238.613281 MB of memory in use. ENERGY: 3405200 4048.2173 20395.2091 14336.4183 232.0911 -203662.2624 2658.8745 0.0000 0.0000 52270.7150 -109720.7371 300.4005 -161991.4520 -109356.2663 298.8369 -187.7166 -162.3973 760248.1966 11.8443 11.7754 PRESSURE: 3405400 -124.388 -134.666 -245.363 -134.666 -113.623 -124.104 -245.363 -124.103 -241.492 GPRESSURE: 3405400 -57.833 -66.4422 -233.58 -170.966 -61.3781 -58.0629 -337.251 -128.146 -284.361 PRESSAVG: 3405400 -23.8698 8.20339 -61.1989 8.20338 18.7951 18.8587 -61.199 18.8587 2.9346 GPRESSAVG: 3405400 -24.2503 8.95256 -59.1531 6.79114 19.8849 18.7633 -64.5616 19.7319 1.9522 TIMING: 3405400 CPU: 10761.9, 0.00315538/step Wall: 10761.9, 0.00315538/step, 1.39766 hours remaining, 238.613281 MB of memory in use. ENERGY: 3405400 3985.6195 20407.4794 14415.5027 252.1892 -203581.9388 2367.9690 0.0000 0.0000 52232.5862 -109920.5927 300.1814 -162153.1789 -109554.5797 298.7346 -159.8344 -134.5241 759133.5671 -0.7134 -0.8044 PRESSURE: 3405600 145.404 195.821 210.884 195.822 262.126 30.434 210.884 30.433 -520.535 GPRESSURE: 3405600 104.728 107.63 285.871 121.427 284.586 89.967 140.488 -12.6989 -411.3 PRESSAVG: 3405600 -36.3918 -36.741 -11.6832 -36.741 46.4839 -26.6983 -11.6833 -26.6984 4.09504 GPRESSAVG: 3405600 -36.8042 -38.7502 -11.1527 -34.6718 45.7749 -24.1471 -9.42316 -27.6883 5.15988 TIMING: 3405600 CPU: 10762.5, 0.00315732/step Wall: 10762.5, 0.00315732/step, 1.39834 hours remaining, 238.613281 MB of memory in use. ENERGY: 3405600 4042.2573 20356.6394 14447.2618 247.5600 -203831.7433 2755.2170 0.0000 0.0000 52159.6794 -109823.1283 299.7624 -161982.8077 -109468.1401 298.8301 -37.6684 -7.3289 758812.2727 4.7290 4.7102 PRESSURE: 3405800 -160.391 199.895 109.109 199.895 -23.362 -69.9598 109.11 -69.9589 321.804 GPRESSURE: 3405800 -43.8843 218.53 50.6949 160.512 -25.8004 -21.5748 99.644 -38.6572 296.886 PRESSAVG: 3405800 -68.5746 -40.5701 1.52888 -40.57 52.1377 39.3354 1.52891 39.3355 0.135907 GPRESSAVG: 3405800 -69.0585 -39.1951 1.11049 -41.6783 52.7088 38.0922 1.81661 39.2396 -0.189218 TIMING: 3405800 CPU: 10763.1, 0.00316773/step Wall: 10763.1, 0.00316773/step, 1.40278 hours remaining, 238.613281 MB of memory in use. ENERGY: 3405800 3929.2440 20513.9273 14442.0955 257.6546 -203415.5550 2463.9160 0.0000 0.0000 51960.6517 -109848.0659 298.6186 -161808.7176 -109484.2313 299.0119 46.0172 75.7336 760573.8510 -5.4336 -5.5130 PRESSURE: 3406000 295.195 -45.0929 -99.1691 -45.0935 -94.2866 -78.8316 -99.1692 -78.8319 -204.087 GPRESSURE: 3406000 284.066 48.8182 -175.374 -75.0612 -41.6224 -51.0914 -161.987 -17.8522 -157.707 PRESSAVG: 3406000 25.4459 38.4007 -9.7311 38.4007 -53.2126 1.97923 -9.73103 1.97933 -4.00461 GPRESSAVG: 3406000 25.9925 37.7541 -10.0204 38.7112 -52.1437 1.04826 -8.60764 5.12926 -5.37351 TIMING: 3406000 CPU: 10763.8, 0.00317876/step Wall: 10763.8, 0.00317876/step, 1.40748 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3406000 3963.0810 20591.6931 14464.1749 263.1839 -203637.0327 2553.5971 0.0000 0.0000 51825.2705 -109976.0321 297.8405 -161801.3026 -109624.5454 298.1972 -1.0593 28.2454 759071.7329 -10.5904 -10.5082 PRESSURE: 3406200 -407.948 -23.2768 -19.4634 -23.2766 -20.067 261.131 -19.4634 261.132 156.601 GPRESSURE: 3406200 -297.575 -127.914 -47.2797 -97.6501 14.6829 151.677 -177.985 364.791 85.7961 PRESSAVG: 3406200 2.87012 29.455 46.2706 29.455 -14.9894 38.7699 46.2706 38.77 3.31555 GPRESSAVG: 3406200 2.88103 31.4705 45.6406 26.0675 -16.1468 37.8473 44.155 36.5736 4.42922 TIMING: 3406200 CPU: 10764.4, 0.00315873/step Wall: 10764.4, 0.00315873/step, 1.39844 hours remaining, 238.613281 MB of memory in use. ENERGY: 3406200 3966.7342 20644.5327 14437.9898 249.9917 -203198.0392 2261.2899 0.0000 0.0000 51886.5639 -109750.9370 298.1928 -161637.5010 -109384.8092 297.8549 -90.4715 -65.6986 760450.4097 -2.9346 -2.9455 PRESSURE: 3406400 -13.7159 -73.2423 269.661 -73.2423 210.147 -72.8004 269.661 -72.8004 2.11799 GPRESSURE: 3406400 38.433 -54.9032 354.558 -76.5693 177.822 -77.1714 328.415 -2.83763 71.2021 PRESSAVG: 3406400 -11.7298 -0.593475 3.98167 -0.593515 -5.6725 35.7913 3.98176 35.7914 -16.352 GPRESSAVG: 3406400 -11.1258 -3.46729 2.39113 3.3413 -6.61357 37.6029 7.06775 35.3492 -16.1597 TIMING: 3406400 CPU: 10765, 0.00313988/step Wall: 10765, 0.00313988/step, 1.38992 hours remaining, 238.613281 MB of memory in use. ENERGY: 3406400 3927.7564 20493.6140 14486.0643 251.9132 -203582.6742 2753.0835 0.0000 0.0000 51673.1954 -109997.0474 296.9666 -161670.2428 -109641.6277 298.2007 66.1831 95.8190 760561.5011 -11.2514 -11.2997 PRESSURE: 3406600 61.7372 63.9989 -280.151 63.9995 17.3283 -57.4563 -280.151 -57.4568 -67.9878 GPRESSURE: 3406600 92.0997 58.5884 -331.699 16.0421 105.993 -57.2237 -358.485 -37.9855 -91.9586 PRESSAVG: 3406600 -28.4426 -21.7874 51.5666 -21.7874 42.0328 -4.34488 51.5666 -4.34487 -9.16971 GPRESSAVG: 3406600 -28.8193 -20.6349 51.5628 -24.2726 41.6955 -3.59653 50.8496 -6.60516 -8.29869 TIMING: 3406600 CPU: 10765.7, 0.00317203/step Wall: 10765.7, 0.00317203/step, 1.40398 hours remaining, 238.613281 MB of memory in use. ENERGY: 3406600 4052.3414 20404.4073 14529.6414 264.0308 -203487.4665 2709.1536 0.0000 0.0000 51860.7515 -109667.1406 298.0445 -161527.8921 -109298.0116 298.4454 3.6926 35.3781 759585.6118 1.4735 1.5259 PRESSURE: 3406800 -265.83 2.46141 152.91 2.46168 -141.6 -5.31205 152.91 -5.31183 -198.301 GPRESSURE: 3406800 -226.291 -89.1622 152.999 -92.7123 -109.035 -28.2403 23.4648 48.4017 -167.179 PRESSAVG: 3406800 -16.6887 -12.9088 -18.1036 -12.9088 39.3832 -4.5052 -18.1035 -4.50525 16.48 GPRESSAVG: 3406800 -16.3092 -14.2047 -16.1894 -11.595 41.5659 -4.44167 -19.2004 -3.5478 14.4701 TIMING: 3406800 CPU: 10766.3, 0.00316888/step Wall: 10766.3, 0.00316888/step, 1.4024 hours remaining, 238.613281 MB of memory in use. ENERGY: 3406800 3956.3133 20356.7060 14414.3718 253.0178 -203386.0601 2694.1124 0.0000 0.0000 52086.8882 -109624.6504 299.3441 -161711.5386 -109264.1014 299.0453 -201.9103 -167.5015 760941.2606 13.0581 13.2423 PRESSURE: 3407000 -394.653 15.9289 54.3549 15.9294 -275.762 -49.2552 54.3552 -49.2557 -588.232 GPRESSURE: 3407000 -305.884 -22.3 24.4942 11.0945 -344.371 -106.389 99.4417 -39.6045 -528.254 PRESSAVG: 3407000 -22.5017 -20.4096 24.1895 -20.4096 -31.4479 -7.6828 24.1896 -7.68282 11.0266 GPRESSAVG: 3407000 -21.7109 -18.4971 24.4885 -21.8627 -33.0715 -9.21371 25.0379 -5.73978 11.9865 TIMING: 3407000 CPU: 10766.9, 0.00317163/step Wall: 10766.9, 0.00317163/step, 1.40344 hours remaining, 238.613281 MB of memory in use. ENERGY: 3407000 3992.1895 20479.8824 14497.8517 240.3455 -203314.6570 2537.5630 0.0000 0.0000 52056.7738 -109510.0510 299.1710 -161566.8248 -109153.4267 299.1423 -419.5492 -392.8363 761393.3758 -14.3077 -14.2653 PRESSURE: 3407200 88.6908 84.0215 130.862 84.0219 -292.635 238.106 130.863 238.106 68.6216 GPRESSURE: 3407200 70.068 93.4919 142.149 37.6132 -199.103 300.936 25.0146 106.338 100.936 PRESSAVG: 3407200 40.0182 17.5904 -29.0252 17.5904 -16.5375 42.1513 -29.0251 42.1512 9.54372 GPRESSAVG: 3407200 38.5084 14.6843 -30.1235 18.0611 -14.3996 41.2986 -27.8975 39.7383 9.2767 TIMING: 3407200 CPU: 10767.6, 0.00317698/step Wall: 10767.6, 0.00317698/step, 1.40564 hours remaining, 238.613281 MB of memory in use. ENERGY: 3407200 4042.5497 20458.7213 14393.7158 232.8116 -203063.9457 2506.6295 0.0000 0.0000 51643.9742 -109785.5436 296.7986 -161429.5178 -109425.6738 298.6618 -45.1076 -9.3664 759891.3369 11.0081 11.1285 PRESSURE: 3407400 -78.9081 61.512 -56.0927 61.5121 -12.1527 159.801 -56.0929 159.801 44.3421 GPRESSURE: 3407400 45.1646 123.926 44.3245 70.9556 -111.977 116.994 -40.0202 159.954 122.072 PRESSAVG: 3407400 -20.8024 33.7285 -3.61311 33.7285 25.3274 -35.1635 -3.61311 -35.1635 16.6691 GPRESSAVG: 3407400 -19.2348 36.6442 -3.50636 33.8588 24.0101 -34.6222 -5.48172 -33.7898 17.0524 TIMING: 3407400 CPU: 10768.2, 0.00312755/step Wall: 10768.2, 0.00312755/step, 1.38359 hours remaining, 238.613281 MB of memory in use. ENERGY: 3407400 4042.7481 20485.1648 14394.4762 229.5295 -203374.2464 2680.2394 0.0000 0.0000 51965.2986 -109576.7898 298.6453 -161542.0885 -109214.4723 298.2432 -15.5729 18.4201 761158.1187 7.0647 7.2759 PRESSURE: 3407600 -83.7324 -81.8984 -179.634 -81.898 -0.212272 -231.977 -179.634 -231.978 39.5951 GPRESSURE: 3407600 -13.992 -144.914 -210.393 -107.181 -35.6155 -248.053 -143.675 -87.8992 96.1402 PRESSAVG: 3407600 8.69846 42.6211 -18.1877 42.6211 7.1702 -61.6961 -18.1877 -61.696 1.38507 GPRESSAVG: 3407600 7.75595 40.9419 -19.1611 42.1663 7.28003 -61.5607 -17.8513 -59.3682 2.68867 TIMING: 3407600 CPU: 10768.8, 0.00316586/step Wall: 10768.8, 0.00316586/step, 1.40037 hours remaining, 238.613281 MB of memory in use. ENERGY: 3407600 3951.7003 20441.3436 14450.7459 233.6684 -203448.8998 2694.1851 0.0000 0.0000 51886.8601 -109790.3964 298.1945 -161677.2565 -109426.6897 298.9819 -14.7832 15.5109 762330.6298 5.7512 5.9082 PRESSURE: 3407800 -312.847 97.6552 -393.039 97.655 -271.337 -10.4804 -393.039 -10.4794 -203.865 GPRESSURE: 3407800 -325.329 9.90289 -363.345 -3.91405 -219.002 2.53665 -302.889 -97.0108 -160.248 PRESSAVG: 3407800 -14.066 21.3135 -25.2242 21.3135 21.1174 1.55328 -25.2242 1.55326 7.22834 GPRESSAVG: 3407800 -15.0886 20.0033 -23.9211 22.7672 22.2152 1.69855 -24.6014 -0.417693 6.34856 TIMING: 3407800 CPU: 10769.5, 0.00316793/step Wall: 10769.5, 0.00316793/step, 1.4011 hours remaining, 238.613281 MB of memory in use. ENERGY: 3407800 4047.5356 20554.2841 14464.6363 252.0326 -203194.7092 2277.6466 0.0000 0.0000 51945.9138 -109652.6602 298.5339 -161598.5741 -109292.8249 298.3619 -262.6830 -234.8596 761459.0663 4.7599 4.4917 PRESSURE: 3408000 -415.916 202.725 196.154 202.725 -101.682 -51.5232 196.154 -51.524 -174.24 GPRESSURE: 3408000 -351.623 259.461 122.218 179.858 -49.424 -92.4057 144.099 -4.98537 -213.773 PRESSAVG: 3408000 -9.26495 -18.6222 -6.63965 -18.6223 39.1387 2.10362 -6.63964 2.1036 14.857 GPRESSAVG: 3408000 -7.38488 -17.8375 -8.24126 -19.2097 38.3346 0.687709 -6.42927 1.03332 13.7204 TIMING: 3408000 CPU: 10770.1, 0.00316785/step Wall: 10770.1, 0.00316785/step, 1.40089 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3408000 3926.6433 20358.4164 14475.3559 241.8532 -203151.2069 2546.0346 0.0000 0.0000 52016.8203 -109586.0832 298.9414 -161602.9035 -109207.5755 298.2621 -230.6126 -204.9400 762070.5216 14.9103 14.8900 PRESSURE: 3408200 26.6639 -10.276 -275.189 -10.2766 -0.6677 -85.6212 -275.189 -85.6207 64.6701 GPRESSURE: 3408200 69.5247 44.3954 -331.35 68.0921 111.964 -166.514 -276.915 65.1826 -0.586082 PRESSAVG: 3408200 -26.5823 6.73189 -49.8252 6.73187 36.1313 34.357 -49.8252 34.3569 0.352078 GPRESSAVG: 3408200 -27.6235 7.12702 -49.1379 8.47776 36.1625 36.5911 -51.2131 33.1377 1.45185 TIMING: 3408200 CPU: 10770.7, 0.00315311/step Wall: 10770.7, 0.00315311/step, 1.3942 hours remaining, 238.613281 MB of memory in use. ENERGY: 3408200 3970.1451 20545.7018 14453.2163 223.6036 -203224.8577 2455.5752 0.0000 0.0000 52177.4609 -109399.1548 299.8646 -161576.6158 -109023.4832 299.2799 30.2221 60.3008 760559.0057 3.3004 3.3303 LDB: ============= START OF LOAD BALANCING ============== 10783.1 LDB: ============== END OF LOAD BALANCING =============== 10783.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10783.1 LDB: ============= START OF LOAD BALANCING ============== 10783.4 LDB: Largest compute 7070 load 0.030649 is 15.6% of average load 0.196119 LDB: Average compute 0.004365 is 2.2% of average load 0.196119 LDB: TIME 10783.4 LOAD: AVG 0.196119 MAX 0.216444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 10783.4 LOAD: AVG 0.196119 MAX 0.216444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: TIME 10783.4 LOAD: AVG 0.196119 MAX 0.216444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: ============== END OF LOAD BALANCING =============== 10783.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10783.5 PRESSURE: 3408400 81.9797 -12.8992 -42.8163 -12.899 -80.5439 -216.437 -42.8162 -216.437 -241.63 GPRESSURE: 3408400 29.81 -121.175 2.56098 -150.127 -1.38277 -150.142 -45.7562 -206.158 -165.795 PRESSAVG: 3408400 -31.7075 -3.63426 -4.89712 -3.63419 13.8963 19.3823 -4.89711 19.3822 25.8538 GPRESSAVG: 3408400 -31.387 -2.36395 -4.84218 -5.12067 14.0788 18.6445 -4.38981 21.0137 25.8085 TIMING: 3408400 CPU: 10771.4, 0.00323574/step Wall: 10771.4, 0.00323574/step, 1.43056 hours remaining, 239.125000 MB of memory in use. ENERGY: 3408400 4036.4355 20524.6684 14415.0799 262.0906 -203129.0854 2452.3458 0.0000 0.0000 51992.2202 -109446.2450 298.8000 -161438.4652 -109089.1473 299.4821 -80.0647 -45.7891 759029.3482 2.6809 2.8334 PRESSURE: 3408600 -167.623 32.4767 73.6705 32.4754 -476.835 94.3029 73.67 94.3022 141.081 GPRESSURE: 3408600 -175.65 12.5853 16.5695 -41.2026 -406.113 74.8199 -45.6958 89.5076 155.234 PRESSAVG: 3408600 37.8901 -13.5811 -25.0587 -13.5811 -19.6027 -11.0163 -25.0588 -11.0164 -5.99821 GPRESSAVG: 3408600 37.4609 -14.1189 -24.1714 -15.1272 -19.6862 -10.3442 -26.5158 -9.93028 -6.32872 TIMING: 3408600 CPU: 10772, 0.0031598/step Wall: 10772, 0.0031598/step, 1.39681 hours remaining, 239.191406 MB of memory in use. ENERGY: 3408600 3990.6387 20517.9049 14387.3617 249.4903 -202757.8430 2409.2943 0.0000 0.0000 51895.3980 -109307.7550 298.2436 -161203.1530 -108944.7404 299.5077 -167.7921 -142.1762 761884.8978 4.0964 3.8153 PRESSURE: 3408800 186.061 73.0455 87.075 73.0448 -66.1458 155.051 87.0742 155.05 -145.981 GPRESSURE: 3408800 90.6817 41.2229 8.00408 140.211 77.6662 162.914 81.1525 94.367 -93.2118 PRESSAVG: 3408800 44.3001 -53.4268 -14.9236 -53.4267 -31.4492 19.7367 -14.9236 19.7367 -17.1656 GPRESSAVG: 3408800 43.7376 -56.0164 -14.7926 -51.0777 -31.525 20.0816 -13.1145 17.601 -16.638 TIMING: 3408800 CPU: 10772.6, 0.00312873/step Wall: 10772.6, 0.00312873/step, 1.3829 hours remaining, 239.191406 MB of memory in use. ENERGY: 3408800 4027.9184 20654.6719 14440.5443 224.0893 -203056.9128 2518.8178 0.0000 0.0000 51812.1729 -109378.6983 297.7653 -161190.8712 -109017.2404 299.2505 -8.6886 25.0454 760921.6066 -1.4382 -1.4752 PRESSURE: 3409000 -140.75 88.3302 -232.326 88.3307 -24.8417 -98.8454 -232.326 -98.8457 -466.446 GPRESSURE: 3409000 -94.7182 149.308 -175.204 212.329 -63.2285 -116.293 -156.407 -65.8192 -394.478 PRESSAVG: 3409000 -10.2366 38.7476 57.0479 38.7476 28.1683 -10.795 57.048 -10.7951 24.8289 GPRESSAVG: 3409000 -9.39317 40.2416 56.3967 39.6753 27.0657 -11.9122 57.5827 -9.536 25.4086 TIMING: 3409000 CPU: 10773.3, 0.00312345/step Wall: 10773.3, 0.00312345/step, 1.38039 hours remaining, 239.191406 MB of memory in use. ENERGY: 3409000 4028.3448 20522.4764 14492.1388 246.0708 -203091.5757 2427.5619 0.0000 0.0000 51915.5731 -109459.4100 298.3595 -161374.9831 -109101.1580 298.9302 -210.6793 -184.1417 761479.9340 14.2535 14.3604 PRESSURE: 3409200 -258.577 41.796 173.426 41.7961 -217.952 136.415 173.426 136.416 -67.4452 GPRESSURE: 3409200 -228.521 33.6438 161.4 26.5782 -189.98 134.528 85.5367 -56.7874 -38.96 PRESSAVG: 3409200 26.1441 22.8535 34.9683 22.8535 -37.1067 -20.4616 34.9683 -20.4617 -3.63161 GPRESSAVG: 3409200 25.0085 24.6605 35.8015 19.5417 -36.6991 -20.9841 33.4505 -20.8912 -3.29361 TIMING: 3409200 CPU: 10773.9, 0.0031424/step Wall: 10773.9, 0.0031424/step, 1.38859 hours remaining, 239.191406 MB of memory in use. ENERGY: 3409200 4060.5529 20457.6047 14382.8526 257.3742 -203664.1197 2786.3176 0.0000 0.0000 52192.6693 -109526.7484 299.9520 -161719.4177 -109176.2281 299.4699 -181.3247 -152.4871 760741.3066 -4.8647 -4.9948 PRESSURE: 3409400 -24.3675 -49.1371 -107.444 -49.1368 268.592 -76.2832 -107.443 -76.284 -8.06754 GPRESSURE: 3409400 -33.7279 -14.794 -140.749 16.7647 350.48 -62.9532 -151.588 -34.4311 29.4836 PRESSAVG: 3409400 -21.6334 41.9871 42.1739 41.9871 9.32034 -0.459801 42.1738 -0.459779 20.8366 GPRESSAVG: 3409400 -21.8312 40.7119 40.7302 43.2681 9.16935 -0.500789 43.3527 0.757413 20.8843 TIMING: 3409400 CPU: 10774.5, 0.00314889/step Wall: 10774.5, 0.00314889/step, 1.39128 hours remaining, 239.191406 MB of memory in use. ENERGY: 3409400 3965.8285 20559.5251 14397.3637 245.0972 -203139.7464 2613.0240 0.0000 0.0000 51843.1161 -109515.7918 297.9431 -161358.9079 -109156.0830 299.1342 78.7188 115.4118 760815.6188 2.8412 2.7408 PRESSURE: 3409600 -480.048 -41.524 191.574 -41.5238 -172.189 43.3602 191.574 43.3604 331.362 GPRESSURE: 3409600 -378.088 -87.7226 114.507 -96.0916 -113.203 12.2284 215.283 81.7513 276.193 PRESSAVG: 3409600 -15.7676 29.3805 -6.93822 29.3805 22.7533 12.4609 -6.93824 12.4609 4.9151 GPRESSAVG: 3409600 -15.6886 29.9229 -7.017 27.7219 23.3198 12.4942 -8.54698 13.0396 4.61081 TIMING: 3409600 CPU: 10775.1, 0.00314344/step Wall: 10775.1, 0.00314343/step, 1.3887 hours remaining, 239.191406 MB of memory in use. ENERGY: 3409600 3962.0395 20232.6620 14427.0945 254.4019 -203191.7889 2714.9140 0.0000 0.0000 51816.1589 -109784.5182 297.7882 -161600.6771 -109428.0970 298.6268 -106.9586 -71.6994 761055.2701 3.9669 4.0807 PRESSURE: 3409800 4.20189 70.9664 118.929 70.9668 359.655 -4.8286 118.928 -4.82773 -99.578 GPRESSURE: 3409800 -22.8169 64.6277 39.7717 41.5153 417.282 1.53795 107.859 -43.3716 -32.7211 PRESSAVG: 3409800 58.1055 53.5055 -22.461 53.5055 1.57464 -6.61755 -22.461 -6.61749 14.4173 GPRESSAVG: 3409800 58.1967 53.3589 -23.601 54.5485 1.08066 -5.60599 -20.016 -7.18857 14.1574 TIMING: 3409800 CPU: 10775.8, 0.00315245/step Wall: 10775.8, 0.00315245/step, 1.39251 hours remaining, 239.191406 MB of memory in use. ENERGY: 3409800 3956.7409 20455.2290 14401.9569 237.9248 -203413.1179 2753.9892 0.0000 0.0000 51719.1969 -109888.0802 297.2309 -161607.2771 -109537.3266 298.6464 88.0931 120.5812 759346.1972 24.6991 24.4783 PRESSURE: 3410000 -24.3426 -16.4378 -150.834 -16.4374 -5.49043 8.32914 -150.834 8.32984 -76.4255 GPRESSURE: 3410000 42.4139 -41.1543 -150.276 -120.45 38.7546 40.1497 -106.269 34.9696 -99.8333 PRESSAVG: 3410000 41.9089 27.2221 -33.7893 27.2222 10.7726 -23.7656 -33.7893 -23.7656 16.0586 GPRESSAVG: 3410000 42.2386 27.4722 -30.7638 27.5322 11.7473 -24.3633 -35.0122 -24.9903 15.6353 TIMING: 3410000 CPU: 10776.4, 0.0031845/step Wall: 10776.4, 0.0031845/step, 1.40649 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3410000 3949.0401 20571.1592 14385.7134 250.9850 -203592.3534 2702.7635 0.0000 0.0000 51935.0474 -109797.6447 298.4714 -161732.6921 -109439.5943 298.2017 -35.4195 -6.2216 760610.9209 22.9134 23.2071 PRESSURE: 3410200 -269.979 155.747 44.0237 155.747 117.869 -128.865 44.0238 -128.866 -51.5317 GPRESSURE: 3410200 -200.478 155.602 47.3232 121.274 177.514 -84.5569 -86.5296 17.9944 -105.679 PRESSAVG: 3410200 -44.2154 28.8301 24.9491 28.8302 42.1053 -25.4264 24.9491 -25.4264 -19.0558 GPRESSAVG: 3410200 -43.1579 27.5222 23.2706 29.3678 41.6555 -25.3848 23.2635 -24.7228 -19.9771 TIMING: 3410200 CPU: 10777, 0.0031707/step Wall: 10777, 0.0031707/step, 1.40022 hours remaining, 239.191406 MB of memory in use. ENERGY: 3410200 3965.1015 20528.9797 14387.2024 241.3543 -203449.0612 2573.3181 0.0000 0.0000 51795.7826 -109957.3227 297.6711 -161753.1053 -109595.9739 298.3887 -67.8804 -42.8811 761645.9086 -7.0553 -7.1598 PRESSURE: 3410400 230.602 59.1621 -168.12 59.1623 76.5208 -71.1818 -168.121 -71.1818 -499.276 GPRESSURE: 3410400 146.581 -62.1068 -53.9868 17.5154 64.2334 -71.0402 -157.499 -170.138 -308.083 PRESSAVG: 3410400 -49.9379 -2.47523 9.53407 -2.47523 14.472 13.5218 9.53407 13.5218 21.8314 GPRESSAVG: 3410400 -50.9926 -2.33837 10.2828 -1.67592 14.2051 12.512 10.2708 12.1992 23.7182 TIMING: 3410400 CPU: 10777.7, 0.00316961/step Wall: 10777.7, 0.00316961/step, 1.39956 hours remaining, 239.191406 MB of memory in use. ENERGY: 3410400 4010.5279 20345.8335 14417.4394 254.5833 -203753.7109 2724.8631 0.0000 0.0000 52009.4961 -109990.9676 298.8993 -162000.4637 -109631.1516 297.8674 -64.0510 -32.4230 761096.8358 -4.5448 -4.3564 PRESSURE: 3410600 104.328 -105.223 243.956 -105.223 359.011 -53.3471 243.956 -53.3464 -27.1923 GPRESSURE: 3410600 216.467 -67.6435 293.143 -39.006 302.036 25.5664 24.0299 -95.6404 14.1111 PRESSAVG: 3410600 17.9535 2.1124 24.1337 2.11242 -7.92058 29.4711 24.1337 29.4712 6.02509 GPRESSAVG: 3410600 17.9074 2.36723 24.25 1.14803 -7.21625 29.6249 22.4217 30.6573 5.22918 TIMING: 3410600 CPU: 10778.3, 0.00317888/step Wall: 10778.3, 0.00317888/step, 1.40348 hours remaining, 239.191406 MB of memory in use. ENERGY: 3410600 3989.9280 20366.6877 14472.7644 247.6361 -203807.5494 3008.4539 0.0000 0.0000 51942.2633 -109779.8159 298.5129 -161722.0792 -109424.2157 298.2172 145.3824 177.5382 761181.1855 5.3527 5.3068 PRESSURE: 3410800 329.713 -107.704 -59.9046 -107.704 122.42 130.262 -59.9051 130.263 254.928 GPRESSURE: 3410800 370.648 17.6094 -35.083 43.1536 223.379 146.352 4.38434 98.9841 211.384 PRESSAVG: 3410800 22.9373 17.0711 61.3799 17.0711 -5.21765 15.0982 61.38 15.0982 11.0418 GPRESSAVG: 3410800 22.8339 18.4639 60.1857 16.225 -4.74777 15.0774 62.978 15.5012 11.0095 TIMING: 3410800 CPU: 10778.9, 0.00315263/step Wall: 10778.9, 0.00315263/step, 1.39171 hours remaining, 239.191406 MB of memory in use. ENERGY: 3410800 3956.9934 20336.9872 14415.3805 259.6806 -203712.2207 2885.6665 0.0000 0.0000 51914.7258 -109942.7867 298.3546 -161857.5125 -109581.1308 298.3356 235.6873 268.4705 759641.1463 9.5871 9.6985 PRESSURE: 3411000 41.25 -156.44 -86.7899 -156.441 159.246 11.7804 -86.7887 11.7799 113.826 GPRESSURE: 3411000 222.72 -99.7063 -42.3507 -96.758 133.697 -58.1306 -70.2022 88.867 48.8803 PRESSAVG: 3411000 6.36829 -4.65313 28.2312 -4.65321 25.1189 -49.2131 28.2313 -49.2131 2.3556 GPRESSAVG: 3411000 7.18123 -5.98447 30.1646 -4.64867 24.8913 -49.5158 27.8782 -47.7818 1.93903 TIMING: 3411000 CPU: 10779.6, 0.00314205/step Wall: 10779.6, 0.00314205/step, 1.38686 hours remaining, 239.191406 MB of memory in use. ENERGY: 3411000 3974.6380 20579.7481 14432.5184 245.2765 -203467.6428 2763.0648 0.0000 0.0000 51704.4272 -109767.9697 297.1461 -161472.3969 -109416.4107 298.0756 104.7743 135.0992 760392.9436 11.2809 11.3372 PRESSURE: 3411200 -225.663 122.585 68.1575 122.585 -296.493 81.6457 68.1573 81.6455 -428.231 GPRESSURE: 3411200 -163.248 132.712 42.1917 165.513 -309.629 159.659 150.53 -40.4821 -400.118 PRESSAVG: 3411200 37.7025 8.85644 59.5768 8.85641 -65.8453 -28.4868 59.5768 -28.4868 2.12678 GPRESSAVG: 3411200 36.4815 8.12613 59.6924 9.62755 -65.6739 -27.1118 59.636 -30.9621 3.43955 TIMING: 3411200 CPU: 10780.2, 0.00312812/step Wall: 10780.2, 0.00312812/step, 1.38054 hours remaining, 239.191406 MB of memory in use. ENERGY: 3411200 3972.0284 20553.0471 14390.1755 237.6734 -203025.7275 2372.3768 0.0000 0.0000 51748.2369 -109752.1895 297.3978 -161500.4264 -109396.0682 297.9881 -316.7959 -290.9984 761414.1953 -8.6720 -8.5843 PRESSURE: 3411400 280.992 -92.4111 5.13012 -92.4109 -35.7083 121.981 5.13005 121.98 -55.4741 GPRESSURE: 3411400 275.825 -84.9538 -39.18 -134.495 -0.27532 241.81 -64.9427 95.6349 -3.9353 PRESSAVG: 3411400 37.3234 -19.1648 82.1654 -19.1649 8.8721 22.7649 82.1655 22.7648 2.42332 GPRESSAVG: 3411400 37.3824 -19.7665 80.5155 -18.0133 9.42647 24.7887 81.4642 23.4313 2.26978 TIMING: 3411400 CPU: 10780.8, 0.0031337/step Wall: 10780.8, 0.0031337/step, 1.38283 hours remaining, 239.191406 MB of memory in use. ENERGY: 3411400 3997.8298 20418.9895 14463.9085 266.7539 -203348.7609 2615.8122 0.0000 0.0000 51860.8515 -109724.6154 298.0450 -161585.4670 -109364.7317 298.3336 63.2698 90.5381 760535.2125 16.2063 16.3595 PRESSURE: 3411600 266.063 129.88 -71.7469 129.88 170.995 -74.9223 -71.7472 -74.9219 41.7938 GPRESSURE: 3411600 355.371 134.926 -72.054 29.7082 202.405 12.4717 -32.2082 -203.934 8.24746 PRESSAVG: 3411600 26.3206 58.8659 29.3341 58.8659 -39.7092 10.8951 29.3341 10.8952 -20.6158 GPRESSAVG: 3411600 27.746 61.968 26.0036 55.537 -40.0174 8.17336 31.6024 10.8576 -21.3199 TIMING: 3411600 CPU: 10781.4, 0.00311927/step Wall: 10781.4, 0.00311927/step, 1.37629 hours remaining, 239.191406 MB of memory in use. ENERGY: 3411600 3973.0973 20530.0021 14475.8166 253.0833 -203757.1993 3117.8837 0.0000 0.0000 51979.0861 -109428.2302 298.7245 -161407.3162 -109077.8155 299.0790 159.6170 188.6746 760056.2961 -11.3348 -11.1971 PRESSURE: 3411800 62.4324 111.43 -142.759 111.43 -184.736 -171.105 -142.759 -171.105 -149.579 GPRESSURE: 3411800 51.7961 81.3271 -13.9792 127.234 -111.298 -164.164 -222.115 -124.244 -142.132 PRESSAVG: 3411800 20.7657 28.3222 41.8617 28.3221 -30.2852 -12.2245 41.8616 -12.2245 15.0662 GPRESSAVG: 3411800 20.1868 24.5819 45.0247 30.7133 -30.0253 -12.4941 41.7732 -12.0832 15.2663 TIMING: 3411800 CPU: 10782.1, 0.00312973/step Wall: 10782.1, 0.00312973/step, 1.38073 hours remaining, 239.191406 MB of memory in use. ENERGY: 3411800 4032.3715 20399.0093 14449.9857 253.2586 -203324.9623 2543.5177 0.0000 0.0000 51862.3074 -109784.5122 298.0534 -161646.8196 -109436.8521 298.9092 -90.6276 -67.2114 761678.3586 1.8489 1.8093 PRESSURE: 3412000 -359.768 2.26716 -241.368 2.26767 107.353 -108.48 -241.367 -108.481 176.893 GPRESSURE: 3412000 -306.926 53.3085 -123.142 0.601987 102.697 -275.204 -258.998 17.3187 203.316 PRESSAVG: 3412000 3.40753 11.6937 -9.75162 11.6936 -39.5118 -25.9301 -9.75168 -25.9301 -0.371273 GPRESSAVG: 3412000 3.66195 13.4844 -9.41111 11.145 -40.4921 -26.3166 -11.4204 -24.42 0.193723 TIMING: 3412000 CPU: 10782.7, 0.00314569/step Wall: 10782.7, 0.00314569/step, 1.3876 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3412000 4062.6353 20394.6453 14340.1079 227.3861 -203710.6473 2613.0927 0.0000 0.0000 52171.6226 -109901.1574 299.8310 -162072.7800 -109538.9003 298.4326 -25.1742 -0.3044 760102.3100 -12.1585 -12.2122 PRESSURE: 3412200 -89.4403 -42.8962 55.9279 -42.896 -270.831 161.332 55.9272 161.332 375.43 GPRESSURE: 3412200 -59.7687 -15.0424 7.27666 -69.6249 -111.736 171.341 134.036 82.9542 288.856 PRESSAVG: 3412200 1.50605 2.69002 -16.5295 2.69006 5.197 -35.7388 -16.5294 -35.7388 -17.0276 GPRESSAVG: 3412200 0.717134 2.52061 -17.2085 1.50858 5.01853 -34.3347 -17.4696 -37.4071 -16.0934 TIMING: 3412200 CPU: 10783.3, 0.00317167/step Wall: 10783.3, 0.00317167/step, 1.39888 hours remaining, 239.191406 MB of memory in use. ENERGY: 3412200 3992.1662 20261.4998 14392.8033 230.6579 -203224.0978 2449.8262 0.0000 0.0000 51815.8665 -110081.2779 297.7865 -161897.1444 -109711.4934 297.2422 5.0529 39.1170 760431.9577 -3.4415 -3.4526 LDB: ============= START OF LOAD BALANCING ============== 10795.7 LDB: ============== END OF LOAD BALANCING =============== 10795.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10795.7 LDB: ============= START OF LOAD BALANCING ============== 10796.1 LDB: Largest compute 7068 load 0.031862 is 16.2% of average load 0.196137 LDB: Average compute 0.004336 is 2.2% of average load 0.196137 LDB: TIME 10796.1 LOAD: AVG 0.196137 MAX 0.215959 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.742 MB LDB: TIME 10796.1 LOAD: AVG 0.196137 MAX 0.215959 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.941 MB LDB: TIME 10796.1 LOAD: AVG 0.196137 MAX 0.215959 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.941 MB LDB: ============== END OF LOAD BALANCING =============== 10796.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10796.1 PRESSURE: 3412400 -615.002 -85.2599 320.226 -85.26 -318.319 -147.416 320.226 -147.416 28.1321 GPRESSURE: 3412400 -553.974 -187.638 295.622 -74.907 -320.955 -131.571 478.101 -144.83 16.8657 PRESSAVG: 3412400 21.168 -29.5336 31.6816 -29.5336 47.5731 2.23137 31.6816 2.2314 -8.8536 GPRESSAVG: 3412400 22.8721 -29.201 31.9411 -29.5944 46.6921 1.56098 31.914 1.13799 -10.1811 TIMING: 3412400 CPU: 10784, 0.0032256/step Wall: 10784, 0.0032256/step, 1.42249 hours remaining, 237.843750 MB of memory in use. ENERGY: 3412400 3954.6460 20436.6635 14441.6865 232.3735 -202964.8603 2202.4728 0.0000 0.0000 51904.4616 -109792.5565 298.2957 -161697.0181 -109429.6753 297.4342 -301.7295 -286.0212 759233.1784 19.9625 19.7944 PRESSURE: 3412600 71.2899 -128.127 -3.13385 -128.127 220.504 68.7227 -3.13368 68.7227 -168.81 GPRESSURE: 3412600 46.0275 -193.391 -6.70223 -73.206 251.549 111.521 21.1466 160.022 -120.677 PRESSAVG: 3412600 -21.6174 26.8331 69.6166 26.8331 -3.91956 -57.1142 69.6166 -57.1141 -2.18296 GPRESSAVG: 3412600 -23.1643 27.3271 68.2753 28.3405 -3.53926 -55.6237 71.2602 -54.85 -1.65299 TIMING: 3412600 CPU: 10784.6, 0.00316591/step Wall: 10784.6, 0.00316591/step, 1.39599 hours remaining, 237.843750 MB of memory in use. ENERGY: 3412600 3993.6732 20454.6198 14419.1379 242.6781 -203287.8946 2357.0686 0.0000 0.0000 51965.9135 -109854.8036 298.6488 -161820.7170 -109504.1507 298.1009 40.9948 58.9664 757718.4886 -9.2400 -9.4522 PRESSURE: 3412800 51.5869 -134.134 29.301 -134.134 38.3511 -144.105 29.3019 -144.106 -36.6333 GPRESSURE: 3412800 121.257 -186.039 4.62548 -154.995 89.0657 -94.1325 -34.4803 -213.61 -65.4658 PRESSAVG: 3412800 -3.64985 16.7701 38.5076 16.77 18.5695 0.702361 38.5076 0.702332 -6.13312 GPRESSAVG: 3412800 -3.84799 16.3245 37.4584 18.4336 18.9805 -0.59371 39.3329 -1.94825 -6.14065 TIMING: 3412800 CPU: 10785.2, 0.00313584/step Wall: 10785.2, 0.00313584/step, 1.38256 hours remaining, 237.843750 MB of memory in use. ENERGY: 3412800 3939.4632 20437.3286 14482.8348 226.8213 -203381.4567 2662.3617 0.0000 0.0000 51862.2841 -109770.3632 298.0533 -161632.6473 -109410.7142 298.1591 17.7682 48.2857 758224.2644 2.9288 2.9973 PRESSURE: 3413000 -13.4488 37.5774 -3.47475 37.577 210.045 93.0379 -3.47477 93.0385 -655.054 GPRESSURE: 3413000 17.7846 -48.3755 41.928 45.0354 207.966 84.3962 5.7256 130.493 -615.079 PRESSAVG: 3413000 25.0357 -21.483 8.84736 -21.483 -42.287 -1.41672 8.84736 -1.41673 -32.4231 GPRESSAVG: 3413000 24.9072 -21.2038 11.0784 -22.2578 -41.8549 -2.27648 6.28392 0.198866 -33.5134 TIMING: 3413000 CPU: 10785.9, 0.00318941/step Wall: 10785.9, 0.00318941/step, 1.406 hours remaining, 237.843750 MB of memory in use. ENERGY: 3413000 4045.5259 20410.3530 14433.7185 234.7948 -202851.6633 2231.6894 0.0000 0.0000 51877.7021 -109617.8794 298.1419 -161495.5816 -109258.2074 298.3049 -152.8194 -129.7760 758429.7741 -16.5582 -16.8204 PRESSURE: 3413200 -214.556 -127.872 -144.389 -127.872 55.8024 76.0809 -144.389 76.081 190.004 GPRESSURE: 3413200 -87.6924 -93.1858 -55.3936 -196.367 -14.1308 -24.3907 -143.309 62.1478 227.529 PRESSAVG: 3413200 -51.3344 8.46112 20.4918 8.46111 61.7551 13.2359 20.4917 13.236 -9.14173 GPRESSAVG: 3413200 -51.5273 6.13161 20.6127 8.76796 61.2269 13.1373 22.7133 14.2557 -8.76797 TIMING: 3413200 CPU: 10786.5, 0.00319061/step Wall: 10786.5, 0.00319061/step, 1.40635 hours remaining, 237.843750 MB of memory in use. ENERGY: 3413200 3987.3081 20283.1356 14473.7772 244.1397 -203400.9250 2649.2132 0.0000 0.0000 52238.4268 -109524.9244 300.2150 -161763.3512 -109155.6865 298.6616 10.4169 41.9020 759952.9594 0.4263 0.3105 PRESSURE: 3413400 -108.979 150.358 -55.6981 150.357 -292.136 253.287 -55.6989 253.286 71.735 GPRESSURE: 3413400 -83.1562 123.866 -145.94 93.0997 -236.405 264.459 8.28705 127.565 78.4074 PRESSAVG: 3413400 0.227802 16.6224 12.144 16.6224 6.42659 55.3565 12.144 55.3565 19.0077 GPRESSAVG: 3413400 0.738426 19.4247 11.7315 15.6415 6.97293 55.6884 14.1235 54.0389 18.2316 TIMING: 3413400 CPU: 10787.1, 0.00315739/step Wall: 10787.1, 0.00315739/step, 1.39153 hours remaining, 237.843750 MB of memory in use. ENERGY: 3413400 4010.6804 20417.6742 14484.1754 249.6661 -203204.0588 2666.3861 0.0000 0.0000 51743.0166 -109632.4598 297.3678 -161375.4765 -109273.3737 298.3594 -109.7934 -80.3845 761292.1602 8.5540 8.6476 PRESSURE: 3413600 -34.8969 192.074 -85.2897 192.073 -166.006 95.589 -85.2895 95.5884 -18.0985 GPRESSURE: 3413600 -77.4925 289.644 -123.535 74.7865 -94.9675 93.9932 8.86798 191.395 25.0391 PRESSAVG: 3413600 5.77078 17.2167 -10.1047 17.2167 23.414 -19.3182 -10.1048 -19.3182 -16.1167 GPRESSAVG: 3413600 4.70778 15.0534 -10.8766 18.0934 24.2094 -17.3435 -11.3966 -18.8136 -15.6878 TIMING: 3413600 CPU: 10787.8, 0.00314254/step Wall: 10787.8, 0.00314254/step, 1.38481 hours remaining, 237.843750 MB of memory in use. ENERGY: 3413600 3943.6443 20384.8236 14412.9837 249.0996 -203392.0169 2743.4123 0.0000 0.0000 51980.6555 -109677.3979 298.7335 -161658.0534 -109307.0549 298.4031 -73.0005 -49.1403 761104.2937 4.3560 4.4098 PRESSURE: 3413800 -46.5736 -375.558 44.7312 -375.558 412.12 -138.138 44.7307 -138.139 -274.298 GPRESSURE: 3413800 30.7038 -332.384 13.9883 -328.367 361.929 -104.434 84.1412 -131.912 -224.356 PRESSAVG: 3413800 -24.9398 -15.5134 24.4113 -15.5134 25.6163 8.50092 24.4113 8.50091 -16.0371 GPRESSAVG: 3413800 -23.2972 -14.4376 24.146 -16.9746 23.8761 7.67008 23.5919 9.95404 -15.9181 TIMING: 3413800 CPU: 10788.4, 0.0031596/step Wall: 10788.4, 0.0031596/step, 1.39216 hours remaining, 237.843750 MB of memory in use. ENERGY: 3413800 4007.8006 20421.3371 14445.5148 247.6800 -203200.3395 2734.0225 0.0000 0.0000 51877.0632 -109466.9213 298.1382 -161343.9845 -109104.0505 298.4884 30.4161 56.0924 761032.0630 -5.1202 -5.1131 PRESSURE: 3414000 -88.1294 -4.16328 14.9283 -4.16384 96.2285 98.7055 14.9286 98.7047 -56.9271 GPRESSURE: 3414000 -7.21365 42.6323 12.0297 -1.39373 121.225 94.9489 62.9022 16.8211 -83.8236 PRESSAVG: 3414000 9.31269 -9.14257 17.7623 -9.14269 9.97438 82.835 17.7624 82.835 -13.172 GPRESSAVG: 3414000 8.89775 -7.69416 17.0807 -8.83638 9.54508 84.4462 18.43 79.714 -12.4573 TIMING: 3414000 CPU: 10789, 0.00315831/step Wall: 10789, 0.00315831/step, 1.39141 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3414000 4023.1482 20618.1054 14424.6886 255.9222 -203467.2189 2731.2630 0.0000 0.0000 51789.5678 -109624.5237 297.6354 -161414.0915 -109262.9899 299.0175 -16.2760 10.0625 762168.0452 2.0384 1.9952 PRESSURE: 3414200 106.148 -99.6504 42.541 -99.6501 -273.886 252.703 42.5414 252.703 -19.8157 GPRESSURE: 3414200 59.2621 -54.7545 49.1402 -62.9398 -166.977 205.605 54.3315 181.023 7.47451 PRESSAVG: 3414200 -27.1501 -11.0483 -27.0243 -11.0483 -4.13365 51.2329 -27.0242 51.2329 3.80879 GPRESSAVG: 3414200 -27.5909 -11.8188 -26.3554 -10.666 -2.1834 47.3426 -28.1236 52.891 2.18674 TIMING: 3414200 CPU: 10789.7, 0.00318287/step Wall: 10789.7, 0.00318287/step, 1.40205 hours remaining, 237.843750 MB of memory in use. ENERGY: 3414200 4052.5840 20466.2923 14485.3145 244.0954 -203401.0732 2629.5596 0.0000 0.0000 51829.5586 -109693.6688 297.8652 -161523.2274 -109342.4876 298.2690 -62.5179 -33.4136 761403.9347 -9.1583 -9.1958 PRESSURE: 3414400 237.847 -122.126 -31.4051 -122.126 4.61523 -158.895 -31.4057 -158.896 -358.247 GPRESSURE: 3414400 224.886 -167.725 32.4965 -78.521 34.8351 -133.937 2.21749 -87.3881 -324.226 PRESSAVG: 3414400 17.9022 5.1348 -6.85519 5.13475 -6.06403 33.6272 -6.85524 33.6272 6.37787 GPRESSAVG: 3414400 17.6723 4.45578 -6.99943 5.53195 -7.04443 37.6538 -6.65792 31.2524 7.72509 TIMING: 3414400 CPU: 10790.3, 0.00315975/step Wall: 10790.3, 0.00315975/step, 1.39169 hours remaining, 237.843750 MB of memory in use. ENERGY: 3414400 3962.2123 20593.9702 14500.7068 258.8725 -203958.8863 2985.2508 0.0000 0.0000 52202.2868 -109455.5868 300.0073 -161657.8736 -109085.8598 298.9161 -38.5952 -21.5016 762636.3277 6.0720 6.1177 PRESSURE: 3414600 186.433 27.2411 76.6013 27.2405 51.3196 -93.5761 76.6014 -93.5762 -367.958 GPRESSURE: 3414600 142.221 -97.6713 36.296 -106.687 60.4063 -100.672 110.67 -92.8721 -271.586 PRESSAVG: 3414600 1.66807 -26.3109 9.53887 -26.3109 31.0123 4.43152 9.53885 4.43153 5.63164 GPRESSAVG: 3414600 3.1427 -26.1229 9.02798 -24.059 30.1122 1.86345 8.02419 7.99277 5.49282 TIMING: 3414600 CPU: 10790.9, 0.00314975/step Wall: 10790.9, 0.00314975/step, 1.38711 hours remaining, 237.843750 MB of memory in use. ENERGY: 3414600 4023.9119 20677.5870 14451.7418 261.2841 -203409.2283 2833.0120 0.0000 0.0000 51816.1000 -109345.5914 297.7878 -161161.6914 -108996.9262 298.6725 -43.4019 -22.9860 763109.4028 12.7707 12.9159 PRESSURE: 3414800 -42.2538 -92.0433 125.299 -92.0441 90.2777 40.3625 125.299 40.3622 193.258 GPRESSURE: 3414800 11.0308 -95.3156 111.411 -63.5141 98.36 -40.5774 151.514 -43.6252 212.663 PRESSAVG: 3414800 32.1334 0.631421 -2.91023 0.631398 -11.506 -19.4621 -2.9103 -19.462 1.38571 GPRESSAVG: 3414800 30.9074 1.30147 -2.66981 -4.0113 -12.0795 -18.4504 -1.71293 -18.7605 2.79525 TIMING: 3414800 CPU: 10791.6, 0.00314627/step Wall: 10791.6, 0.00314627/step, 1.38541 hours remaining, 237.843750 MB of memory in use. ENERGY: 3414800 3879.6611 20589.4014 14466.0341 253.3174 -203564.7318 2945.6111 0.0000 0.0000 52001.0256 -109429.6812 298.8506 -161430.7068 -109076.3277 299.3360 80.4274 107.3511 762691.4285 7.3377 7.2077 PRESSURE: 3415000 63.1226 -149.762 25.4152 -149.763 -28.9128 260.276 25.4146 260.277 -258.172 GPRESSURE: 3415000 75.6309 -238.158 21.6035 -202.089 80.7046 248.424 -22.9783 276.483 -295.662 PRESSAVG: 3415000 33.9916 20.9952 11.6313 20.9952 -61.1383 -41.1856 11.6313 -41.1857 1.61943 GPRESSAVG: 3415000 33.5666 21.6185 12.41 22.7636 -60.9785 -41.9751 12.2555 -41.2465 1.53589 TIMING: 3415000 CPU: 10792.2, 0.0031361/step Wall: 10792.2, 0.0031361/step, 1.38076 hours remaining, 237.843750 MB of memory in use. ENERGY: 3415000 3984.7731 20618.6266 14424.1379 259.4338 -203336.5328 2565.0833 0.0000 0.0000 52171.6892 -109312.7890 299.8314 -161484.4782 -108951.9087 299.1938 -74.6541 -46.4421 763875.2365 -8.5091 -8.6253 PRESSURE: 3415200 177.419 -85.4301 95.8689 -85.43 -6.04964 29.2942 95.8684 29.2956 -132.447 GPRESSURE: 3415200 174.959 -0.774225 80.7285 -182.341 35.858 47.6744 33.8598 -78.7453 -78.6803 PRESSAVG: 3415200 51.3188 -45.3197 -27.888 -45.3197 -52.5281 -12.9751 -27.888 -12.9751 -8.3044 GPRESSAVG: 3415200 50.6991 -44.6702 -28.5649 -46.8131 -51.3598 -12.8419 -29.563 -13.9887 -9.16286 TIMING: 3415200 CPU: 10792.8, 0.00315716/step Wall: 10792.8, 0.00315716/step, 1.38985 hours remaining, 237.843750 MB of memory in use. ENERGY: 3415200 3987.5420 20468.0786 14431.8988 263.2545 -203609.6564 2896.2457 0.0000 0.0000 52358.3523 -109204.2845 300.9042 -161562.6368 -108846.8745 299.6575 12.9741 44.0456 762369.3413 -3.1712 -3.2745 PRESSURE: 3415400 62.2057 -90.394 62.1467 -90.3938 -186.157 -131.584 62.1461 -131.583 92.8693 GPRESSURE: 3415400 68.2659 -59.9184 71.6086 1.06011 -150.425 -158.155 22.2296 -128.726 120.282 PRESSAVG: 3415400 34.7841 -22.6129 18.9863 -22.613 -41.2659 -2.51519 18.9863 -2.51518 32.5867 GPRESSAVG: 3415400 35.4252 -23.5287 19.8089 -22.2909 -41.7401 -2.54868 20.628 -2.80553 31.5476 TIMING: 3415400 CPU: 10793.5, 0.00315523/step Wall: 10793.5, 0.00315523/step, 1.38883 hours remaining, 237.843750 MB of memory in use. ENERGY: 3415400 3985.1786 20625.9357 14460.3955 258.6709 -203243.4056 2665.2604 0.0000 0.0000 52045.1345 -109202.8300 299.1041 -161247.9644 -108846.5149 299.8641 -10.3605 12.7075 760072.1674 8.7016 8.4109 PRESSURE: 3415600 183.286 -54.3754 -87.9824 -54.375 -45.6985 -254.615 -87.9813 -254.615 52.1987 GPRESSURE: 3415600 111.971 -16.1901 -29.2556 -170.454 69.6144 -305.363 -77.7659 -294.717 103.341 PRESSAVG: 3415600 84.6573 -17.8271 -6.60548 -17.8271 -47.8787 -9.88893 -6.60551 -9.88898 -31.5602 GPRESSAVG: 3415600 84.3677 -17.3865 -5.21571 -18.247 -49.2941 -11.4573 -5.73823 -10.3572 -30.2358 TIMING: 3415600 CPU: 10794.1, 0.00316078/step Wall: 10794.1, 0.00316078/step, 1.3911 hours remaining, 237.843750 MB of memory in use. ENERGY: 3415600 3940.5881 20688.6585 14367.3184 246.2887 -203249.8717 2594.2077 0.0000 0.0000 51925.1892 -109487.6211 298.4148 -161412.8103 -109120.6987 299.3626 63.2621 94.9755 762044.6883 1.7395 1.6126 PRESSURE: 3415800 -46.8507 -83.1985 -65.2104 -83.1978 11.4933 250.627 -65.2109 250.627 -213.104 GPRESSURE: 3415800 -18.1768 -152.822 -32.4795 -30.1651 -11.695 199.537 -114.929 210.792 -99.7564 PRESSAVG: 3415800 75.7155 23.468 -8.13877 23.468 -58.3925 17.1807 -8.13874 17.1806 -7.42301 GPRESSAVG: 3415800 76.065 22.9344 -10.2157 24.9613 -57.6809 17.549 -10.1267 17.7482 -7.78268 TIMING: 3415800 CPU: 10794.7, 0.00314696/step Wall: 10794.7, 0.00314696/step, 1.38484 hours remaining, 237.843750 MB of memory in use. ENERGY: 3415800 3980.3254 20361.0841 14354.7123 242.2211 -202792.4206 2414.7559 0.0000 0.0000 52242.1673 -109197.1545 300.2365 -161439.3218 -108821.7923 299.7155 -82.8206 -43.2094 760769.4623 3.3000 3.5338 PRESSURE: 3416000 -85.264 255.556 85.1639 255.557 22.2817 -144.208 85.1628 -144.208 -28.0283 GPRESSURE: 3416000 11.8401 196.212 -37.7363 140.244 27.1126 -154.931 107.182 -57.3144 -56.4348 PRESSAVG: 3416000 -15.3798 23.3926 -79.8072 23.3926 -3.49157 34.5538 -79.8072 34.5538 21.9179 GPRESSAVG: 3416000 -14.6694 24.1864 -78.2477 22.6862 -4.02397 36.4308 -79.0165 33.6414 21.7757 TIMING: 3416000 CPU: 10795.3, 0.00313772/step Wall: 10795.3, 0.00313772/step, 1.3806 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3416000 3997.5116 20451.1357 14437.3094 263.0509 -202709.8918 2164.0877 0.0000 0.0000 52183.7953 -109213.0011 299.9010 -161396.7964 -108840.9785 299.8860 -30.3369 -5.8274 761221.3099 1.0155 1.0274 PRESSURE: 3416200 100.089 8.41868 -278.383 8.41833 125.861 -12.5605 -278.383 -12.5599 -175.27 GPRESSURE: 3416200 178.954 53.3084 -244.403 25.4987 99.9607 62.9549 -103.321 -3.59557 -142.656 PRESSAVG: 3416200 27.4642 24.2479 -29.5125 24.2479 -48.2158 -4.54447 -29.5125 -4.54441 2.22351 GPRESSAVG: 3416200 28.897 23.6887 -28.8659 25.1017 -48.6651 -4.04823 -27.2801 -5.11695 1.22468 TIMING: 3416200 CPU: 10796, 0.0031756/step Wall: 10796, 0.0031756/step, 1.39709 hours remaining, 237.843750 MB of memory in use. ENERGY: 3416200 4101.6328 20499.5369 14351.5738 249.6851 -203168.4107 2656.8959 0.0000 0.0000 52253.2865 -109055.7997 300.3004 -161309.0862 -108684.5264 299.6136 16.8935 45.4197 761859.7156 -6.1760 -6.1811 LDB: ============= START OF LOAD BALANCING ============== 10808.4 LDB: ============== END OF LOAD BALANCING =============== 10808.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10808.4 LDB: ============= START OF LOAD BALANCING ============== 10808.7 LDB: Largest compute 7068 load 0.031914 is 16.3% of average load 0.196150 LDB: Average compute 0.004349 is 2.2% of average load 0.196150 LDB: TIME 10808.7 LOAD: AVG 0.19615 MAX 0.219111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 10808.7 LOAD: AVG 0.19615 MAX 0.219111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.426 MB LDB: TIME 10808.7 LOAD: AVG 0.19615 MAX 0.215332 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.426 MB LDB: ============== END OF LOAD BALANCING =============== 10808.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10808.7 PRESSURE: 3416400 53.0547 1.73448 203.017 1.73443 396.222 129.162 203.018 129.161 217.507 GPRESSURE: 3416400 94.4669 -58.7076 224.216 5.25607 382.684 185.476 164.896 80.3352 272.125 PRESSAVG: 3416400 10.6785 -11.6206 -20.3819 -11.6206 -21.4559 5.9564 -20.3819 5.95635 -3.02101 GPRESSAVG: 3416400 9.24931 -11.7141 -20.9964 -12.1236 -20.7394 6.03784 -22.2087 8.21574 -2.40861 TIMING: 3416400 CPU: 10796.6, 0.00321723/step Wall: 10796.6, 0.00321723/step, 1.41522 hours remaining, 238.613281 MB of memory in use. ENERGY: 3416400 3895.3125 20617.5379 14432.0642 250.8296 -203149.6497 2453.2062 0.0000 0.0000 52217.2475 -109283.4518 300.0932 -161500.6993 -108931.1839 299.8595 222.2612 249.7588 761334.0560 -4.5995 -4.6329 PRESSURE: 3416600 -219.072 42.2514 6.96671 42.2512 -71.9323 -183.074 6.96733 -183.075 -12.2352 GPRESSURE: 3416600 -91.5464 23.0948 -75.5026 39.4284 -115.622 -182.306 -26.5331 -75.0667 -9.13985 PRESSAVG: 3416600 11.9388 58.3934 80.905 58.3935 -46.4082 -15.8737 80.905 -15.8737 0.684011 GPRESSAVG: 3416600 12.1797 57.5257 80.3019 58.5319 -46.9815 -17.4092 79.1678 -15.032 1.29814 TIMING: 3416600 CPU: 10797.3, 0.00321933/step Wall: 10797.3, 0.00321933/step, 1.41597 hours remaining, 238.613281 MB of memory in use. ENERGY: 3416600 3973.8407 20549.8233 14406.9421 257.9680 -203000.4980 2403.6576 0.0000 0.0000 52396.8759 -109011.3903 301.1256 -161408.2662 -108634.8006 299.9928 -101.0798 -72.1029 762383.0618 -11.2618 -11.1679 PRESSURE: 3416800 -397.664 89.547 -152.875 89.5464 149.895 154.307 -152.875 154.307 77.6953 GPRESSURE: 3416800 -245.255 -54.2668 -131.19 100.689 81.7679 136.774 -132.826 39.2825 98.6184 PRESSAVG: 3416800 -4.03312 26.4747 34.7114 26.4746 -5.90731 12.4082 34.7114 12.4082 -39.639 GPRESSAVG: 3416800 -3.52159 27.9087 34.3372 24.6301 -6.11492 13.1208 37.1596 10.077 -40.546 TIMING: 3416800 CPU: 10797.9, 0.00319324/step Wall: 10797.9, 0.00319324/step, 1.40431 hours remaining, 238.613281 MB of memory in use. ENERGY: 3416800 4090.2774 20620.0700 14477.2381 254.2991 -203309.3915 2623.6377 0.0000 0.0000 52233.6286 -109010.2406 300.1874 -161243.8692 -108660.3403 300.0659 -56.6912 -21.6229 762132.5382 -16.5265 -16.7275 PRESSURE: 3417000 -110.776 112.111 -204.068 112.111 -323.021 -68.9845 -204.069 -68.9841 -0.858847 GPRESSURE: 3417000 -116.837 74.6949 -244.205 244.282 -284.988 -67.6888 -94.8589 -39.2134 48.0427 PRESSAVG: 3417000 -11.7651 -42.4798 -12.3926 -42.4799 19.3958 -61.6235 -12.3926 -61.6235 -2.53436 GPRESSAVG: 3417000 -11.9835 -44.5325 -11.2796 -39.2554 19.4135 -61.9122 -13.1225 -62.0361 -2.52696 TIMING: 3417000 CPU: 10798.5, 0.00318117/step Wall: 10798.5, 0.00318117/step, 1.39883 hours remaining, 238.613281 MB of memory in use. ENERGY: 3417000 4060.9442 20622.2218 14487.6327 262.0857 -203376.3728 2677.5888 0.0000 0.0000 52186.0311 -109079.8684 299.9138 -161265.8996 -108728.3230 300.4907 -144.8852 -117.9273 760787.6769 1.6988 1.6343 PRESSURE: 3417200 -144.102 59.0483 127.55 59.0485 217.109 -20.4596 127.55 -20.4598 521.314 GPRESSURE: 3417200 -198.576 18.6337 147.865 146.551 307.36 -27.6011 161.415 -40.3086 565.469 PRESSAVG: 3417200 44.1735 -58.6661 38.7133 -58.6662 -28.3411 14.7758 38.7133 14.7758 6.76729 GPRESSAVG: 3417200 43.0875 -56.4258 37.4859 -60.6691 -28.2566 16.1922 40.4438 13.1799 7.84383 TIMING: 3417200 CPU: 10799.2, 0.00316379/step Wall: 10799.2, 0.00316379/step, 1.39101 hours remaining, 238.613281 MB of memory in use. ENERGY: 3417200 3949.6471 20592.9556 14415.8328 248.0489 -203032.1578 2473.6503 0.0000 0.0000 52272.7409 -109079.2822 300.4122 -161352.0232 -108706.5888 300.4800 198.1069 224.7513 762111.8386 7.5332 7.5582 PRESSURE: 3417400 -236.462 178.869 88.6907 178.869 -602.33 38.4483 88.6903 38.4478 99.9317 GPRESSURE: 3417400 -267.117 88.4057 93.5141 240.161 -425.316 -58.9142 -4.93943 8.92265 41.6157 PRESSAVG: 3417400 -26.0139 -41.005 33.085 -41.005 39.0994 1.65478 33.085 1.65481 4.65082 GPRESSAVG: 3417400 -24.6697 -40.9331 34.2208 -41.7318 39.0502 -0.438707 31.2291 4.78567 3.31082 TIMING: 3417400 CPU: 10799.8, 0.00315933/step Wall: 10799.8, 0.00315933/step, 1.38888 hours remaining, 238.613281 MB of memory in use. ENERGY: 3417400 3952.6320 20516.5789 14465.4223 260.4629 -203182.1739 2456.4619 0.0000 0.0000 52408.9622 -109121.6536 301.1950 -161530.6158 -108742.1039 300.4280 -246.2868 -216.9392 762544.6800 5.9121 5.8971 PRESSURE: 3417600 -129.645 -130.891 229.435 -130.891 267.207 230.627 229.434 230.628 225.549 GPRESSURE: 3417600 -66.5639 -81.2141 252.82 -168.961 298.289 295.597 228.936 50.4057 218.289 PRESSAVG: 3417600 -10.2787 -0.424476 38.6876 -0.424435 -49.066 26.8237 38.6875 26.8237 7.40903 GPRESSAVG: 3417600 -10.939 -3.08318 37.5667 1.23427 -48.8269 27.5066 40.2152 25.9422 7.92312 TIMING: 3417600 CPU: 10800.4, 0.00315015/step Wall: 10800.4, 0.00315015/step, 1.38467 hours remaining, 238.613281 MB of memory in use. ENERGY: 3417600 3927.3434 20718.2810 14443.5895 259.6300 -203452.4901 2683.0011 0.0000 0.0000 52140.0045 -109280.6405 299.6493 -161420.6451 -108908.2332 299.6339 121.0369 150.0049 761026.5553 -17.3119 -17.2809 PRESSURE: 3417800 155.211 -11.8568 134.999 -11.8569 -153.046 -79.4722 135.001 -79.4725 155.73 GPRESSURE: 3417800 157.949 15.1642 175.27 18.0988 -142.698 -1.97686 244.366 -125.837 221.242 PRESSAVG: 3417800 72.6275 -2.69669 62.0499 -2.69668 -81.951 -20.811 62.0499 -20.8109 -6.2286 GPRESSAVG: 3417800 72.6254 -0.237663 61.8478 -4.01151 -82.849 -20.1789 60.8208 -21.2093 -6.00097 TIMING: 3417800 CPU: 10801.1, 0.00313028/step Wall: 10801.1, 0.00313028/step, 1.37576 hours remaining, 238.613281 MB of memory in use. ENERGY: 3417800 4022.3903 20629.2747 14439.9366 250.5182 -203348.5159 2664.7931 0.0000 0.0000 52239.1814 -109102.4217 300.2193 -161341.6030 -108738.6452 299.6602 52.6315 78.8310 760910.4821 -5.1840 -5.4082 PRESSURE: 3418000 209.552 -82.634 -94.3301 -82.6336 -216.494 91.9406 -94.3306 91.9406 -260.431 GPRESSURE: 3418000 178.434 -132.507 -44.6707 -18.8828 -158.5 42.1422 -205.825 143.531 -205.225 PRESSAVG: 3418000 35.484 -44.398 -3.28319 -44.3981 -38.0225 -59.0084 -3.28318 -59.0084 2.87752 GPRESSAVG: 3418000 34.4846 -46.9096 -2.07002 -42.7149 -37.1603 -59.627 -4.62856 -56.6197 3.66965 TIMING: 3418000 CPU: 10801.7, 0.00314421/step Wall: 10801.7, 0.00314421/step, 1.3817 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3418000 3999.1095 20680.9924 14468.1122 245.3844 -202785.8878 2214.8024 0.0000 0.0000 51940.9995 -109236.4874 298.5056 -161177.4869 -108876.4075 300.1507 -89.1243 -61.7637 761142.3028 0.1130 0.3313 PRESSURE: 3418200 -128.486 11.0682 35.0105 11.0674 -206.722 -150.8 35.0103 -150.799 -9.14022 GPRESSURE: 3418200 -139.456 33.682 118.041 16.0774 -180.811 -128.506 -93.1725 -138.87 58.6006 PRESSAVG: 3418200 13.6886 -26.7559 16.7178 -26.7558 -41.4689 -0.913252 16.7177 -0.913385 10.9044 GPRESSAVG: 3418200 14.5159 -25.2063 16.1414 -30.1906 -42.2293 -0.37415 17.3963 -1.93537 10.6346 TIMING: 3418200 CPU: 10802.3, 0.00317263/step Wall: 10802.3, 0.00317263/step, 1.39402 hours remaining, 238.613281 MB of memory in use. ENERGY: 3418200 4004.7133 20586.5860 14505.2502 253.4263 -203708.6597 2723.6531 0.0000 0.0000 52032.1531 -109602.8777 299.0295 -161635.0308 -109238.6037 299.9944 -114.7827 -87.2222 759075.4048 -5.6253 -5.6930 PRESSURE: 3418400 110.253 -6.42457 101.498 -6.42505 -105.571 -84.2766 101.498 -84.2764 153.13 GPRESSURE: 3418400 110.401 135.977 98.6691 -13.2543 -42.2969 -74.6597 139.622 -80.5509 183.218 PRESSAVG: 3418400 3.91583 24.0242 34.264 24.0242 -45.3599 1.9087 34.264 1.90866 22.5868 GPRESSAVG: 3418400 2.9412 24.5299 35.7224 25.1182 -43.0825 3.74025 37.0749 0.68094 21.6259 TIMING: 3418400 CPU: 10803, 0.00319043/step Wall: 10803, 0.00319043/step, 1.40166 hours remaining, 238.613281 MB of memory in use. ENERGY: 3418400 3966.3229 20404.6954 14534.8120 251.3552 -203329.7226 2489.2424 0.0000 0.0000 52107.2820 -109576.0126 299.4613 -161683.2946 -109229.1489 299.4358 52.6037 83.7741 760818.9266 -6.2858 -6.1718 PRESSURE: 3418600 160.305 -99.4857 56.3239 -99.4851 -127.183 104.125 56.3247 104.124 176.358 GPRESSURE: 3418600 130.523 -134.922 56.0457 33.923 6.58207 89.8723 55.159 140.663 162.496 PRESSAVG: 3418600 30.1968 -31.1679 52.1766 -31.1679 0.234566 -9.9757 52.1766 -9.97571 2.80988 GPRESSAVG: 3418600 30.011 -31.8531 52.2139 -29.732 -0.24205 -12.4283 48.0616 -8.22799 3.86798 TIMING: 3418600 CPU: 10803.6, 0.0032114/step Wall: 10803.6, 0.0032114/step, 1.4107 hours remaining, 238.613281 MB of memory in use. ENERGY: 3418600 3924.8522 20686.6059 14396.6973 236.2213 -203595.0654 2878.0093 0.0000 0.0000 52004.8781 -109467.8015 298.8727 -161472.6795 -109108.1825 299.1223 69.8269 99.8671 759332.0270 11.0804 11.2123 PRESSURE: 3418800 -18.7811 -91.988 -182.655 -91.9884 -36.2712 235.381 -182.654 235.38 6.77383 GPRESSURE: 3418800 54.6225 -135.121 -226.833 -309.608 -13.8834 248.972 -133.647 194.492 -10.6401 PRESSAVG: 3418800 -11.1089 -57.5489 -15.843 -57.549 -8.86029 -41.9664 -15.8431 -41.9665 -7.66866 GPRESSAVG: 3418800 -10.6276 -57.1953 -16.2061 -61.6968 -8.73169 -41.4473 -14.2236 -42.571 -8.59232 TIMING: 3418800 CPU: 10804.3, 0.00322183/step Wall: 10804.3, 0.00322183/step, 1.4151 hours remaining, 238.613281 MB of memory in use. ENERGY: 3418800 3969.2976 20615.1672 14419.4839 253.9938 -203568.8735 2727.9500 0.0000 0.0000 52336.9100 -109246.0709 300.7809 -161582.9809 -108877.6094 299.4090 -16.0928 10.0330 761199.2136 -9.2126 -9.3172 PRESSURE: 3419000 15.4856 0.266831 -5.49825 0.266819 194.324 -43.2785 -5.49864 -43.2775 101.625 GPRESSURE: 3419000 89.0747 85.7007 -4.97038 6.7966 127.738 -9.67835 23.9121 28.6746 180.05 PRESSAVG: 3419000 -48.7654 -10.1285 13.5014 -10.1285 21.6767 -57.1185 13.5014 -57.1184 0.357451 GPRESSAVG: 3419000 -48.3616 -11.3449 13.4483 -5.18635 20.0418 -56.4696 13.1694 -57.4442 2.02922 TIMING: 3419000 CPU: 10804.9, 0.00319214/step Wall: 10804.9, 0.00319214/step, 1.40188 hours remaining, 238.613281 MB of memory in use. ENERGY: 3419000 4029.0729 20286.2752 14473.6776 252.6922 -203393.0488 2767.5687 0.0000 0.0000 52231.1221 -109352.6400 300.1730 -161583.7621 -108983.8448 299.8785 103.8117 132.2875 759973.1181 -8.9104 -8.7636 PRESSURE: 3419200 -45.7467 254.377 37.276 254.377 -191.122 -151.594 37.2764 -151.594 293.474 GPRESSURE: 3419200 14.0991 329.117 80.9945 318.913 -137.723 -304.541 94.016 -50.9648 278.584 PRESSAVG: 3419200 19.1193 -12.0063 -4.73145 -12.0062 36.965 -46.3481 -4.73147 -46.3481 3.63911 GPRESSAVG: 3419200 19.8344 -10.1173 -6.52066 -12.9079 37.7224 -47.6784 -1.49275 -45.0186 2.4155 TIMING: 3419200 CPU: 10805.5, 0.00317241/step Wall: 10805.5, 0.00317241/step, 1.39304 hours remaining, 238.613281 MB of memory in use. ENERGY: 3419200 3879.9759 20557.8324 14443.4207 250.5631 -203093.1327 2429.2534 0.0000 0.0000 52215.5701 -109316.5170 300.0836 -161532.0871 -108947.5803 299.9347 18.8684 51.6533 760545.2013 19.9078 19.9907 PRESSURE: 3419400 57.8365 -225.363 -53.8584 -225.364 266.773 25.7878 -53.859 25.7864 583.776 GPRESSURE: 3419400 80.5025 -146.016 -71.0736 -186.954 312.6 -80.8486 -109.209 166.582 617.806 PRESSAVG: 3419400 -2.1351 -3.56294 -9.97071 -3.56298 30.2611 -14.0647 -9.97074 -14.0647 1.55947 GPRESSAVG: 3419400 -2.60015 -4.09757 -7.5325 -4.23379 30.4414 -12.5855 -13.6526 -13.659 1.44103 TIMING: 3419400 CPU: 10806.2, 0.00317585/step Wall: 10806.2, 0.00317585/step, 1.39437 hours remaining, 238.613281 MB of memory in use. ENERGY: 3419400 4066.2954 20344.3345 14479.8005 257.1647 -203823.5972 2891.0605 0.0000 0.0000 52311.4315 -109473.5102 300.6345 -161784.9417 -109117.9521 299.7507 302.7951 336.9695 758329.9921 9.8952 9.7607 PRESSURE: 3419600 253.832 292.925 180.616 292.925 118.478 81.0279 180.616 81.027 -105.454 GPRESSURE: 3419600 281.885 307.686 162.398 366.586 161.356 64.4607 195.991 19.7307 -80.7783 PRESSAVG: 3419600 16.1577 21.2605 41.4822 21.2605 8.66956 -10.7097 41.4821 -10.7097 -10.0994 GPRESSAVG: 3419600 16.0039 19.2555 42.5449 22.8569 9.03849 -12.4668 41.0259 -13.9476 -9.91541 TIMING: 3419600 CPU: 10806.8, 0.00320143/step Wall: 10806.8, 0.00320143/step, 1.40543 hours remaining, 238.613281 MB of memory in use. ENERGY: 3419600 3969.6812 20504.8159 14480.9923 250.1332 -203602.1529 2833.1340 0.0000 0.0000 52137.2309 -109426.1656 299.6334 -161563.3965 -109067.7144 299.6678 88.9518 120.8211 760483.1641 4.9093 5.0423 PRESSURE: 3419800 278.045 -251.413 -56.9568 -251.413 -268.939 249.591 -56.9564 249.591 86.4639 GPRESSURE: 3419800 241.052 -193.324 -43.3426 -266.417 -213.022 291.033 -57.5038 219.67 157.146 PRESSAVG: 3419800 -22.9663 -7.59231 45.5201 -7.59235 20.1925 33.0424 45.5201 33.0424 31.3986 GPRESSAVG: 3419800 -23.5377 -6.82016 43.7427 -7.94417 20.546 33.3968 46.6463 33.6492 31.5709 TIMING: 3419800 CPU: 10807.4, 0.00319168/step Wall: 10807.4, 0.00319168/step, 1.40097 hours remaining, 238.613281 MB of memory in use. ENERGY: 3419800 3974.6430 20517.8467 14503.2146 238.5443 -203594.6332 2813.9499 0.0000 0.0000 51944.6766 -109601.7582 298.5268 -161546.4347 -109237.4454 298.9204 31.8567 61.7251 760596.9705 9.5416 9.5264 PRESSURE: 3420000 242.329 -7.71277 20.0285 -7.71233 477.119 -255.209 20.0282 -255.209 171.561 GPRESSURE: 3420000 322.608 -18.3105 -82.6997 19.3867 413.569 -136.388 33.7839 -232.772 254.474 PRESSAVG: 3420000 -40.8719 -21.2022 60.1799 -21.2021 1.9338 5.9037 60.1799 5.90382 17.9937 GPRESSAVG: 3420000 -39.5436 -21.0404 59.5532 -19.8618 0.646786 7.12869 61.0734 7.0137 19.3116 TIMING: 3420000 CPU: 10808.1, 0.00322071/step Wall: 10808.1, 0.00322071/step, 1.41353 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3420000 3894.0453 20559.0621 14470.4590 227.8165 -203629.9790 2788.4784 0.0000 0.0000 51958.8592 -109731.2584 298.6083 -161690.1176 -109369.2892 299.0323 297.0028 330.2170 759402.6428 -6.9815 -6.5284 PRESSURE: 3420200 -105.686 78.4858 13.9622 78.4849 28.0495 -145.909 13.9621 -145.908 -26.1479 GPRESSURE: 3420200 -31.3346 98.2904 74.2633 146.209 -25.7662 -3.54931 8.06616 -200.408 39.3264 PRESSAVG: 3420200 38.8466 25.7517 5.70816 25.7518 -13.6585 17.1343 5.70814 17.1343 -12.583 GPRESSAVG: 3420200 39.1988 26.2166 6.68079 24.0837 -13.7239 17.1247 4.68025 16.5651 -13.2342 TIMING: 3420200 CPU: 10808.7, 0.00320059/step Wall: 10808.7, 0.00320059/step, 1.40453 hours remaining, 238.613281 MB of memory in use. ENERGY: 3420200 3998.8417 20576.4000 14517.7224 251.0721 -203925.1485 2856.5842 0.0000 0.0000 51986.4393 -109738.0888 298.7668 -161724.5281 -109383.7134 298.9069 -34.5949 -5.9248 759657.2162 4.2017 4.0802 LDB: ============= START OF LOAD BALANCING ============== 10821.1 LDB: ============== END OF LOAD BALANCING =============== 10821.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10821.1 LDB: ============= START OF LOAD BALANCING ============== 10821.4 LDB: Largest compute 7033 load 0.033772 is 17.2% of average load 0.196105 LDB: Average compute 0.004368 is 2.2% of average load 0.196105 LDB: TIME 10821.4 LOAD: AVG 0.196105 MAX 0.214484 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 10821.5 LOAD: AVG 0.196105 MAX 0.214484 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.277 MB LDB: TIME 10821.5 LOAD: AVG 0.196105 MAX 0.214484 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10821.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10821.5 PRESSURE: 3420400 16.9026 -138.042 -82.7056 -138.042 117.261 -37.9307 -82.7056 -37.9293 295.854 GPRESSURE: 3420400 28.0045 -31.0978 -103.648 -227.911 214.343 -87.6695 -69.4121 38.9821 279.768 PRESSAVG: 3420400 19.4607 -12.1206 -10.589 -12.1206 -54.564 18.7844 -10.589 18.7844 -10.3957 GPRESSAVG: 3420400 18.3357 -9.65044 -9.87278 -13.2346 -53.5696 17.0066 -8.9709 19.3718 -9.96842 TIMING: 3420400 CPU: 10809.4, 0.00326525/step Wall: 10809.4, 0.00326525/step, 1.43272 hours remaining, 241.187500 MB of memory in use. ENERGY: 3420400 3965.4908 20384.0718 14490.9758 238.1080 -203787.7112 2811.5868 0.0000 0.0000 52255.2419 -109642.2361 300.3116 -161897.4780 -109274.2508 298.9317 143.3391 174.0384 761084.8989 -15.1663 -15.0674 PRESSURE: 3420600 21.4273 -84.5699 147.983 -84.5707 -268.024 -81.7418 147.983 -81.743 268.765 GPRESSURE: 3420600 49.8462 -140.393 104.405 -34.1872 -230.907 -48.3709 67.5781 -20.2427 275.794 PRESSAVG: 3420600 3.71716 -37.5315 2.96741 -37.5315 40.8714 -51.6341 2.96747 -51.6341 -13.0684 GPRESSAVG: 3420600 3.19292 -41.0052 1.96239 -35.5473 41.032 -50.576 2.43748 -52.2647 -13.2311 TIMING: 3420600 CPU: 10810, 0.00319762/step Wall: 10810, 0.00319762/step, 1.40287 hours remaining, 241.187500 MB of memory in use. ENERGY: 3420600 3931.2999 20417.8753 14483.2107 235.4706 -203505.4925 2709.3798 0.0000 0.0000 51862.7175 -109865.5385 298.0558 -161728.2560 -109513.3741 299.2711 7.3894 31.5776 761684.8499 10.5067 10.3313 PRESSURE: 3420800 48.9854 65.252 -7.03417 65.2515 -232.999 195.575 -7.0344 195.575 -212.42 GPRESSURE: 3420800 23.1119 203.169 84.6849 -28.6267 -160.699 220.931 3.65433 96.2114 -160.341 PRESSAVG: 3420800 38.7551 31.6134 33.3905 31.6134 -40.2261 -17.5635 33.3905 -17.5634 -0.478264 GPRESSAVG: 3420800 38.1564 33.3524 31.3294 29.4576 -39.9781 -19.3492 34.0973 -15.5714 0.189559 TIMING: 3420800 CPU: 10810.7, 0.00321376/step Wall: 10810.7, 0.00321376/step, 1.40977 hours remaining, 241.187500 MB of memory in use. ENERGY: 3420800 3979.2070 20478.9816 14470.4130 242.7669 -203594.1016 2530.1382 0.0000 0.0000 52181.9611 -109710.6339 299.8904 -161892.5949 -109347.6642 298.9368 -132.1444 -99.3094 760444.0064 -0.6497 -0.5440 PRESSURE: 3421000 -241.41 68.3374 -67.8181 68.3377 -124.116 -50.6613 -67.8179 -50.6607 109.195 GPRESSURE: 3421000 -217.395 11.9105 -0.736402 41.9771 -88.6082 12.4811 -72.5977 -98.4686 129.572 PRESSAVG: 3421000 -24.6858 15.1851 8.96118 15.1851 31.7428 -22.6308 8.96119 -22.6308 -31.7985 GPRESSAVG: 3421000 -24.7423 14.7937 11.3853 16.696 31.8686 -21.5798 10.3359 -23.23 -32.3501 TIMING: 3421000 CPU: 10811.3, 0.00319955/step Wall: 10811.3, 0.00319956/step, 1.40336 hours remaining, 241.187500 MB of memory in use. ENERGY: 3421000 4001.3971 20452.0606 14484.0588 231.5001 -203273.7711 2465.8949 0.0000 0.0000 52087.4439 -109551.4155 299.3473 -161638.8595 -109190.1974 299.0601 -85.4435 -58.8105 762363.8862 -8.2472 -8.4079 PRESSURE: 3421200 234.112 110.605 215.366 110.605 103.921 134.122 215.367 134.12 95.3007 GPRESSURE: 3421200 345.611 60.394 228.659 29.9285 53.1282 195.655 274.56 120.756 107.696 PRESSAVG: 3421200 16.5615 18.4108 5.78549 18.4108 -48.4676 47.1837 5.7855 47.1837 12.1391 GPRESSAVG: 3421200 17.9078 17.6437 5.70704 19.5142 -49.5581 47.9962 3.65374 45.5439 11.7448 TIMING: 3421200 CPU: 10811.9, 0.00321285/step Wall: 10811.9, 0.00321285/step, 1.40901 hours remaining, 241.187500 MB of memory in use. ENERGY: 3421200 3967.7926 20393.5236 14419.8839 236.4917 -203605.4788 2904.5401 0.0000 0.0000 51860.8478 -109822.3990 298.0450 -161683.2468 -109464.1657 298.7424 144.4444 168.8115 763020.8479 -6.5890 -6.6352 PRESSURE: 3421400 -89.7058 -79.3737 -57.6525 -79.3738 255.978 337.721 -57.6528 337.721 -140.297 GPRESSURE: 3421400 -60.8896 -98.936 -3.12449 -73.1753 281.551 363.618 -254.406 334.666 -95.1106 PRESSAVG: 3421400 11.7303 11.7064 3.24681 11.7064 28.2197 24.282 3.24683 24.2821 7.54025 GPRESSAVG: 3421400 12.1163 11.6582 3.53703 10.4053 27.8014 23.6286 2.29187 24.5317 7.71153 TIMING: 3421400 CPU: 10812.6, 0.00321283/step Wall: 10812.6, 0.00321283/step, 1.40882 hours remaining, 241.187500 MB of memory in use. ENERGY: 3421400 3881.9254 20537.4962 14381.6966 269.6918 -203402.6347 2578.9848 0.0000 0.0000 51782.9564 -109969.8834 297.5974 -161752.8399 -109615.8364 298.4611 8.6585 41.8502 761703.1162 15.8301 15.8764 PRESSURE: 3421600 -65.8083 66.0689 -30.3296 66.0678 89.234 123.933 -30.3295 123.932 -139.916 GPRESSURE: 3421600 -69.9743 137.178 -95.1064 314.91 131.757 39.1284 155.515 142.272 -86.4685 PRESSAVG: 3421600 -7.51197 19.4341 -49.5641 19.4341 28.0083 71.9576 -49.564 71.9576 16.0718 GPRESSAVG: 3421600 -8.34327 20.2294 -50.5525 18.5124 28.0838 72.2472 -49.2259 73.7041 16.7697 TIMING: 3421600 CPU: 10813.2, 0.00317722/step Wall: 10813.2, 0.00317722/step, 1.39304 hours remaining, 241.187500 MB of memory in use. ENERGY: 3421600 3995.5355 20465.9582 14403.0775 241.7961 -203421.6708 2506.2086 0.0000 0.0000 51944.2674 -109864.8275 298.5244 -161809.0949 -109500.7721 298.4658 -38.8303 -8.2286 762216.3661 12.1894 12.1701 PRESSURE: 3421800 -111.618 -203.429 -45.8523 -203.429 -7.67387 31.8146 -45.852 31.8139 -87.3066 GPRESSURE: 3421800 -112.498 -126.238 -66.5625 -75.052 124.535 -56.1719 12.8177 24.1308 -108.85 PRESSAVG: 3421800 -8.01204 -0.398429 2.96535 -0.39849 -3.5429 14.3787 2.96533 14.3787 -26.062 GPRESSAVG: 3421800 -8.16023 0.395514 4.64583 2.81751 -3.8643 14.5289 3.79743 14.3633 -25.9334 TIMING: 3421800 CPU: 10813.8, 0.00314272/step Wall: 10813.8, 0.00314272/step, 1.37773 hours remaining, 241.187500 MB of memory in use. ENERGY: 3421800 3957.6324 20407.7606 14513.7494 257.2100 -203894.2396 2868.8263 0.0000 0.0000 51986.7434 -109902.3175 298.7685 -161889.0609 -109539.5390 298.2870 -68.8662 -32.2709 761087.3319 -12.5390 -12.6526 PRESSURE: 3422000 -427.31 -65.4827 -47.0606 -65.4833 9.12394 -339.749 -47.0609 -339.75 -44.0142 GPRESSURE: 3422000 -363.483 -70.5487 -39.1538 -18.7688 2.59967 -332.589 -49.132 -247.69 -16.634 PRESSAVG: 3422000 -58.6818 -37.9643 24.0576 -37.9643 61.009 -21.8387 24.0576 -21.8387 4.8783 GPRESSAVG: 3422000 -58.0959 -38.5834 23.3881 -39.0125 62.8134 -22.7414 24.6219 -23.9907 2.9902 TIMING: 3422000 CPU: 10814.5, 0.00313518/step Wall: 10814.5, 0.00313518/step, 1.37425 hours remaining, 241.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3422000 4068.0513 20757.4015 14466.5299 234.5640 -203824.3864 2608.3545 0.0000 0.0000 51782.3958 -109907.0894 297.5941 -161689.4852 -109560.1466 298.5825 -154.0667 -125.8390 760326.0055 2.4018 2.5692 PRESSURE: 3422200 -491.396 94.7166 32.2625 94.7166 -9.35504 61.2763 32.2615 61.2754 -229.897 GPRESSURE: 3422200 -330.59 34.9563 36.3734 26.0728 -96.094 100.151 -1.5876 33.0787 -236.747 PRESSAVG: 3422200 -73.4965 -27.3594 -52.0089 -27.3593 131.61 -10.1773 -52.0089 -10.1773 22.2821 GPRESSAVG: 3422200 -72.818 -26.3392 -52.0045 -29.8071 128.651 -8.68556 -53.4508 -9.75843 23.6378 TIMING: 3422200 CPU: 10815.1, 0.00315207/step Wall: 10815.1, 0.00315207/step, 1.38148 hours remaining, 241.187500 MB of memory in use. ENERGY: 3422200 4024.2791 20539.8685 14481.3816 251.7322 -203936.8152 2680.8684 0.0000 0.0000 51963.9451 -109994.7403 298.6375 -161958.6854 -109632.7638 298.8554 -243.5491 -221.1437 760018.4960 26.7987 26.4902 PRESSURE: 3422400 91.5116 49.1342 -90.1007 49.1336 68.7975 3.54281 -90.1009 3.54411 -16.8958 GPRESSURE: 3422400 66.8062 6.27866 1.87277 -53.8391 142.547 -67.37 -137.41 53.8463 9.2966 PRESSAVG: 3422400 -40.5926 24.4551 32.8048 24.4551 73.7461 -0.677576 32.8048 -0.67753 0.62206 GPRESSAVG: 3422400 -41.7061 24.245 33.0063 23.4289 74.9271 -0.0545217 34.2764 -2.72844 0.827782 TIMING: 3422400 CPU: 10815.7, 0.00314847/step Wall: 10815.7, 0.00314847/step, 1.37973 hours remaining, 241.187500 MB of memory in use. ENERGY: 3422400 3951.8136 20489.7832 14509.8570 257.4484 -203705.0595 2763.9273 0.0000 0.0000 51702.2219 -110030.0081 297.1334 -161732.2300 -109671.2697 298.5164 47.8044 72.8832 757219.7763 11.2585 11.3496 PRESSURE: 3422600 -320.679 125.584 -174.285 125.584 -132.577 158.512 -174.285 158.512 97.6803 GPRESSURE: 3422600 -379.608 156.406 -200.063 70.3504 -8.89237 165.134 -124.01 129.102 107.74 PRESSAVG: 3422600 -80.2248 -24.675 19.2964 -24.675 40.2913 3.67401 19.2965 3.67387 2.66379 GPRESSAVG: 3422600 -78.9887 -26.2731 19.2909 -21.468 39.1437 2.13001 17.3007 6.18608 2.9461 TIMING: 3422600 CPU: 10816.4, 0.00315646/step Wall: 10816.4, 0.00315646/step, 1.38306 hours remaining, 241.187500 MB of memory in use. ENERGY: 3422600 4020.2239 20542.7618 14475.5805 250.0507 -203510.2508 2490.7307 0.0000 0.0000 51803.3134 -109927.5898 297.7144 -161730.9032 -109571.0456 298.1256 -118.5251 -93.5868 760691.6028 -12.4232 -12.2996 PRESSURE: 3422800 -350.118 123.643 -217.196 123.643 79.4639 48.0195 -217.197 48.0207 -382.531 GPRESSURE: 3422800 -274.229 103.003 -228.354 148.513 31.6522 32.836 -105.977 83.7299 -345.566 PRESSAVG: 3422800 -78.6941 -25.642 -46.218 -25.642 37.8824 -15.4502 -46.218 -15.4502 -2.3871 GPRESSAVG: 3422800 -80.3653 -25.153 -47.8987 -26.6384 38.9416 -15.0724 -45.4985 -16.1704 -1.96518 TIMING: 3422800 CPU: 10817, 0.00315098/step Wall: 10817, 0.00315098/step, 1.38048 hours remaining, 241.187500 MB of memory in use. ENERGY: 3422800 3967.1904 20413.6243 14463.7787 249.3104 -203419.8487 2388.3352 0.0000 0.0000 52005.5258 -109932.0839 298.8765 -161937.6097 -109563.3032 298.1205 -217.7283 -196.0477 759927.0242 -14.3996 -14.4629 PRESSURE: 3423000 -96.1918 -102.615 34.4143 -102.614 -14.421 -57.1297 34.4133 -57.1295 -92.476 GPRESSURE: 3423000 -55.8248 -87.894 67.5475 -103.685 39.7191 -170.302 -7.05427 -103.336 -98.1363 PRESSAVG: 3423000 22.9647 -45.9195 -36.6893 -45.9195 -37.5152 12.6554 -36.6893 12.6555 9.33536 GPRESSAVG: 3423000 23.2921 -44.4854 -35.538 -46.4558 -38.3421 12.3306 -37.0658 12.6913 9.86 TIMING: 3423000 CPU: 10817.6, 0.00315242/step Wall: 10817.6, 0.00315242/step, 1.38094 hours remaining, 241.187500 MB of memory in use. ENERGY: 3423000 4012.7175 20357.0422 14455.5782 245.2266 -203913.3557 2693.6546 0.0000 0.0000 51933.2368 -110215.8996 298.4610 -162149.1364 -109863.5632 297.9725 -67.6963 -38.0807 760746.3919 -1.7384 -1.7300 PRESSURE: 3423200 303.868 75.5698 69.2881 75.5711 83.2473 -185.588 69.2879 -185.588 409.673 GPRESSURE: 3423200 268.328 -70.3851 -74.8455 65.7581 188.401 -103.128 38.7272 -248.893 428.385 PRESSAVG: 3423200 53.5718 -29.06 10.2481 -29.0599 -6.57004 0.455931 10.2481 0.455989 14.4013 GPRESSAVG: 3423200 54.9701 -30.8352 9.23985 -27.8669 -6.50232 0.490287 12.1087 2.70414 12.7835 TIMING: 3423200 CPU: 10818.3, 0.00318737/step Wall: 10818.3, 0.00318737/step, 1.39607 hours remaining, 241.187500 MB of memory in use. ENERGY: 3423200 3977.7538 20342.4758 14403.9468 257.7915 -203643.3230 2641.9247 0.0000 0.0000 51972.9894 -110046.4410 298.6895 -162019.4303 -109680.7723 297.7436 265.5959 295.0378 759914.6578 20.4677 20.4171 PRESSURE: 3423400 -64.9744 -50.7266 285.804 -50.7272 -41.9407 -381.694 285.804 -381.695 316.502 GPRESSURE: 3423400 10.0976 -24.5793 227.378 -71.3707 -3.76785 -376.806 217.104 -266.498 292.143 PRESSAVG: 3423400 11.3967 26.4482 35.8755 26.4483 -20.3157 -34.2925 35.8755 -34.2926 -11.1794 GPRESSAVG: 3423400 9.57661 28.0377 35.5673 27.3134 -19.9501 -35.5559 34.2267 -36.0186 -9.63428 TIMING: 3423400 CPU: 10818.9, 0.00318042/step Wall: 10818.9, 0.00318042/step, 1.39285 hours remaining, 241.187500 MB of memory in use. ENERGY: 3423400 4012.5116 20485.2291 14491.2240 248.7951 -203650.1413 2786.0127 0.0000 0.0000 51497.4595 -110128.9093 295.9566 -161626.3688 -109775.3356 297.7472 69.8624 99.4909 759738.8004 -6.6995 -6.6693 PRESSURE: 3423600 -247.523 -196.171 219.759 -196.171 59.1168 -225.962 219.76 -225.962 -421.354 GPRESSURE: 3423600 -182.545 -130.07 353.042 -124.949 39.7892 -258.783 215.127 -158.625 -407.501 PRESSAVG: 3423600 -10.0234 -38.0607 18.5449 -38.0607 -50.4123 -29.6873 18.5449 -29.6874 -27.569 GPRESSAVG: 3423600 -9.71171 -36.461 19.7579 -40.3069 -50.4298 -28.5946 19.0812 -30.7086 -28.2908 TIMING: 3423600 CPU: 10819.5, 0.00320334/step Wall: 10819.5, 0.00320334/step, 1.40271 hours remaining, 241.187500 MB of memory in use. ENERGY: 3423600 4000.4424 20563.3315 14446.3973 242.4075 -203518.5543 2383.2215 0.0000 0.0000 51917.8077 -109964.9464 298.3724 -161882.7541 -109604.0896 298.1077 -203.2533 -183.4186 760898.5705 -29.3349 -29.4774 PRESSURE: 3423800 333.611 9.09769 19.2838 9.09824 -101.147 -57.9066 19.2852 -57.9067 91.0686 GPRESSURE: 3423800 280.529 18.4853 22.5201 -4.88501 -60.5473 -22.3296 88.7491 -29.1995 166.658 PRESSAVG: 3423800 -3.06122 -38.5565 18.564 -38.5565 4.35318 15.5861 18.5641 15.5861 10.493 GPRESSAVG: 3423800 -1.93823 -43.0775 17.0917 -35.654 2.95828 15.0509 18.7019 16.1278 10.8381 TIMING: 3423800 CPU: 10820.2, 0.00320567/step Wall: 10820.2, 0.00320567/step, 1.40355 hours remaining, 241.187500 MB of memory in use. ENERGY: 3423800 4007.4345 20485.4996 14415.2481 246.5027 -203215.5212 2348.0172 0.0000 0.0000 51953.2202 -109759.5988 298.5759 -161712.8190 -109400.3469 298.1307 107.8444 128.8798 760916.3583 3.9283 3.9527 PRESSURE: 3424000 374.788 130.273 176.6 130.273 529.316 23.7802 176.6 23.7808 195.493 GPRESSURE: 3424000 452.909 180.681 182.557 50.1991 553.879 -46.1628 91.503 81.2256 182.067 PRESSAVG: 3424000 11.6818 12.8324 -5.04405 12.8324 39.4663 1.61697 -5.04407 1.61703 -4.04065 GPRESSAVG: 3424000 10.0196 14.8892 -3.83095 10.2872 40.4301 0.918133 -6.08349 2.54945 -3.72091 TIMING: 3424000 CPU: 10820.8, 0.00316425/step Wall: 10820.8, 0.00316425/step, 1.38524 hours remaining, 241.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3424000 3964.2476 20714.5715 14492.9230 227.6087 -203798.6048 2814.3909 0.0000 0.0000 52014.1567 -109570.7065 298.9261 -161584.8632 -109212.4489 298.8687 366.5323 396.2849 759879.9372 15.7025 15.5763 PRESSURE: 3424200 252.643 101.743 124.678 101.743 188.757 6.43582 124.679 6.43536 -168.035 GPRESSURE: 3424200 302.619 -64.9509 156.128 -14.7718 188.963 -67.284 10.3518 110.531 -133.462 PRESSAVG: 3424200 -1.68104 7.54462 9.07921 7.54456 3.62825 -32.2691 9.07913 -32.269 10.9142 GPRESSAVG: 3424200 -0.386168 5.84232 9.15585 9.21245 1.18568 -32.1608 11.2129 -30.8703 12.2078 TIMING: 3424200 CPU: 10821.4, 0.00315131/step Wall: 10821.4, 0.00315131/step, 1.3794 hours remaining, 241.187500 MB of memory in use. ENERGY: 3424200 3986.2780 20634.2483 14479.7191 250.3745 -203580.3455 2878.2320 0.0000 0.0000 52001.1406 -109350.3530 298.8513 -161351.4936 -109001.2382 299.2882 91.1216 119.3732 763185.8714 4.2871 4.3358 LDB: ============= START OF LOAD BALANCING ============== 10833.8 LDB: ============== END OF LOAD BALANCING =============== 10833.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10833.8 LDB: ============= START OF LOAD BALANCING ============== 10834.2 LDB: Largest compute 7033 load 0.031588 is 16.1% of average load 0.196199 LDB: Average compute 0.004375 is 2.2% of average load 0.196199 LDB: TIME 10834.2 LOAD: AVG 0.196199 MAX 0.215992 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 10834.2 LOAD: AVG 0.196199 MAX 0.215992 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 10834.2 LOAD: AVG 0.196199 MAX 0.215992 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 10834.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10834.2 PRESSURE: 3424400 -161.419 -23.6925 232.801 -23.693 86.2807 -92.0246 232.802 -92.0245 414.563 GPRESSURE: 3424400 -177.082 -58.8959 176.555 -4.38268 222.927 -74.8002 152.103 68.5052 372.793 PRESSAVG: 3424400 14.9745 -22.3939 -8.70786 -22.3938 -14.942 -8.33679 -8.70784 -8.33683 -3.94907 GPRESSAVG: 3424400 14.4837 -22.036 -10.1987 -21.833 -12.5233 -8.39869 -9.84389 -9.67772 -5.47481 TIMING: 3424400 CPU: 10822.1, 0.00322532/step Wall: 10822.1, 0.00322532/step, 1.41162 hours remaining, 237.699219 MB of memory in use. ENERGY: 3424400 3965.7398 20704.0762 14506.5828 247.7766 -203370.9040 2731.1975 0.0000 0.0000 51779.1070 -109436.4240 297.5752 -161215.5310 -109073.6836 299.2808 113.1417 139.5458 763473.7876 -1.3055 -1.1715 PRESSURE: 3424600 -312.331 41.5014 145.185 41.501 -274.163 200.822 145.185 200.822 -188.388 GPRESSURE: 3424600 -251.241 11.9595 138.942 57.027 -275.203 209.138 164.683 150.604 -174.462 PRESSAVG: 3424600 37.4256 -48.37 18.1832 -48.3699 -15.9263 23.5821 18.1832 23.5822 1.90214 GPRESSAVG: 3424600 36.6724 -47.4658 19.2518 -47.4 -15.2613 23.3056 19.6149 23.6994 1.66006 TIMING: 3424600 CPU: 10822.7, 0.00315646/step Wall: 10822.7, 0.00315646/step, 1.3813 hours remaining, 237.902344 MB of memory in use. ENERGY: 3424600 3988.3477 20560.4104 14564.9013 250.3180 -203104.4079 2248.3332 0.0000 0.0000 52088.2846 -109403.8127 299.3521 -161492.0973 -109032.7962 299.4055 -258.2939 -233.6353 762886.8267 7.8005 7.6904 PRESSURE: 3424800 319.625 123.897 -10.9829 123.897 137.582 -93.7861 -10.9826 -93.7861 140.581 GPRESSURE: 3424800 275.827 70.2352 53.999 23.213 273.861 -184.532 -13.6647 30.5653 131.979 PRESSAVG: 3424800 -19.9388 -25.2475 21.1818 -25.2474 -8.7771 16.98 21.1819 16.98 24.0638 GPRESSAVG: 3424800 -21.2695 -24.7855 22.6076 -27.5162 -8.01499 16.8716 20.3196 17.3464 25.2624 TIMING: 3424800 CPU: 10823.4, 0.00317756/step Wall: 10823.4, 0.00317756/step, 1.39036 hours remaining, 237.902344 MB of memory in use. ENERGY: 3424800 3950.8984 20475.8074 14455.9502 234.4949 -203660.0106 3023.8880 0.0000 0.0000 51897.4683 -109621.5036 298.2555 -161518.9718 -109254.3201 299.2329 199.2626 227.2222 762523.4384 -1.5507 -1.3407 PRESSURE: 3425000 -235.038 16.1329 129.165 16.1334 -189.636 -22.4132 129.166 -22.4139 -371.468 GPRESSURE: 3425000 -231.829 199.316 145.578 -25.9569 -142.522 -5.17386 89 -58.9454 -329.944 PRESSAVG: 3425000 -32.3449 -50.5459 19.3097 -50.5459 40.6155 31.9584 19.3098 31.9584 1.0167 GPRESSAVG: 3425000 -29.6407 -50.0332 17.0184 -49.438 39.187 31.8872 17.9846 32.108 0.403579 TIMING: 3425000 CPU: 10824, 0.00314882/step Wall: 10824, 0.00314882/step, 1.37761 hours remaining, 237.902344 MB of memory in use. ENERGY: 3425000 3938.4706 20563.0689 14536.5306 254.7983 -203076.4939 2537.5725 0.0000 0.0000 51707.0031 -109539.0499 297.1609 -161246.0530 -109180.2204 298.4175 -265.3804 -234.7649 764059.6830 3.0958 3.3166 PRESSURE: 3425200 123.92 -12.396 259.301 -12.3967 47.8221 80.3605 259.301 80.3614 462.419 GPRESSURE: 3425200 133.288 29.4962 263.993 -77.3699 52.3445 165.247 167.12 -53.7162 533.374 PRESSAVG: 3425200 -16.4828 -38.3708 -5.80633 -38.3708 55.6966 19.0566 -5.80635 19.0566 33.3237 GPRESSAVG: 3425200 -18.2796 -37.1613 -4.81147 -39.8909 57.9286 19.6706 -4.39058 19.2209 33.1028 TIMING: 3425200 CPU: 10824.6, 0.00314622/step Wall: 10824.6, 0.00314622/step, 1.3763 hours remaining, 237.902344 MB of memory in use. ENERGY: 3425200 3990.7733 20479.9106 14541.1102 237.4849 -203535.5656 2844.5583 0.0000 0.0000 52134.7123 -109307.0160 299.6189 -161441.7283 -108948.6249 299.3060 211.3869 239.6688 761275.6736 24.1792 24.2506 PRESSURE: 3425400 226.321 -237.43 -28.4927 -237.43 219.792 44.5608 -28.4921 44.5609 199.848 GPRESSURE: 3425400 256.719 -280.441 10.9452 -132.983 274.487 54.093 -48.4772 -87.1565 173.979 PRESSAVG: 3425400 -7.48363 -37.7708 10.7068 -37.7708 29.3156 -25.9337 10.7068 -25.9337 -24.7706 GPRESSAVG: 3425400 -6.92631 -41.7384 11.7318 -36.1521 27.8769 -24.5162 11.3697 -26.9185 -24.422 TIMING: 3425400 CPU: 10825.2, 0.00314778/step Wall: 10825.2, 0.00314778/step, 1.3768 hours remaining, 237.902344 MB of memory in use. ENERGY: 3425400 4034.3865 20624.8816 14405.5711 234.8340 -203494.4715 2845.4280 0.0000 0.0000 51882.2477 -109467.1226 298.1680 -161349.3703 -109106.7634 298.9620 215.3205 235.0617 759920.5307 -0.9795 -1.1571 PRESSURE: 3425600 -213.206 -20.705 -235.394 -20.7047 -318.308 -270.218 -235.393 -270.22 -77.7381 GPRESSURE: 3425600 -210.582 -66.1229 -164.73 18.5928 -259.693 -351.29 -275.758 -115.37 -64.1271 PRESSAVG: 3425600 -20.3083 -11.439 12.4574 -11.439 47.3661 -3.32303 12.4574 -3.32312 -6.82307 GPRESSAVG: 3425600 -20.3857 -11.0068 10.9194 -12.465 49.011 -4.70245 13.0594 -3.41164 -8.38164 TIMING: 3425600 CPU: 10825.9, 0.00318653/step Wall: 10825.9, 0.00318653/step, 1.39358 hours remaining, 237.902344 MB of memory in use. ENERGY: 3425600 4032.9395 20485.0822 14469.2052 235.6811 -203277.9768 2542.7580 0.0000 0.0000 51895.1690 -109617.1418 298.2422 -161512.3108 -109260.3250 298.7615 -203.0842 -178.1339 762026.1789 6.7449 6.7479 PRESSURE: 3425800 217.707 100.12 107.157 100.12 134.71 -66.2018 107.156 -66.2021 83.7944 GPRESSURE: 3425800 120.203 59.7245 164.83 133.358 218.016 34.6135 36.5156 -64.4466 189.783 PRESSAVG: 3425800 -60.8392 -25.311 -19.3146 -25.311 65.6089 -33.2228 -19.3146 -33.2228 -6.09997 GPRESSAVG: 3425800 -60.5658 -24.1242 -18.5152 -25.9394 64.154 -32.3515 -19.4175 -32.2957 -4.77177 TIMING: 3425800 CPU: 10826.5, 0.00318153/step Wall: 10826.5, 0.00318153/step, 1.39121 hours remaining, 237.902344 MB of memory in use. ENERGY: 3425800 3932.6219 20613.8927 14477.6068 231.5641 -203605.1314 2797.1373 0.0000 0.0000 52084.5153 -109467.7933 299.3304 -161552.3087 -109106.0195 298.7600 145.4039 176.0009 761421.2472 -0.4434 -0.3946 PRESSURE: 3426000 -284.135 -26.2859 111.141 -26.2853 -227.754 171.255 111.141 171.256 -447.217 GPRESSURE: 3426000 -227.813 -76.5251 153.603 -84.9639 -197.612 228.359 -49.5173 -5.68244 -444.284 PRESSAVG: 3426000 -19.3699 -24.47 18.6199 -24.47 1.51415 -1.44458 18.6198 -1.44463 22.2446 GPRESSAVG: 3426000 -19.6148 -24.8666 18.2983 -23.6709 1.90225 -0.88981 18.5102 -1.69712 22.4253 TIMING: 3426000 CPU: 10827.2, 0.00319/step Wall: 10827.2, 0.00319/step, 1.39474 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3426000 4042.0376 20420.0567 14493.4913 253.2314 -203020.3903 2310.9631 0.0000 0.0000 52076.2688 -109424.3414 299.2830 -161500.6101 -109063.9434 298.9362 -319.7019 -289.9032 763174.6053 1.4629 1.5709 PRESSURE: 3426200 -200.758 -56.8474 -107.279 -56.8471 -141.81 80.8479 -107.279 80.8482 -315.041 GPRESSURE: 3426200 -81.9828 -100.002 -98.3899 -5.24673 -165.462 118.134 -202.407 90.7181 -325.895 PRESSAVG: 3426200 60.2667 51.6026 -53.0181 51.6026 -48.3504 -22.8898 -53.0181 -22.8898 -12.4994 GPRESSAVG: 3426200 60.4568 50.6189 -52.7795 52.3548 -48.6544 -23.5001 -55.4314 -21.7259 -12.2956 TIMING: 3426200 CPU: 10827.8, 0.00315526/step Wall: 10827.8, 0.00315526/step, 1.37937 hours remaining, 237.902344 MB of memory in use. ENERGY: 3426200 4053.9665 20544.3730 14476.0636 244.2214 -203535.2238 2629.3114 0.0000 0.0000 51888.8363 -109698.4516 298.2059 -161587.2879 -109337.4536 298.9357 -219.2031 -191.1132 763711.6833 -0.1944 -0.1644 PRESSURE: 3426400 90.8623 -70.8024 35.5456 -70.8024 294.771 -133.507 35.5459 -133.508 -68.8722 GPRESSURE: 3426400 158.89 -87.1084 48.1728 5.6034 222.177 -184.654 136.129 63.7077 -0.757857 PRESSAVG: 3426400 -14.8501 10.7003 22.8985 10.7003 20.822 30.4059 22.8984 30.4059 -0.0977938 GPRESSAVG: 3426400 -12.9974 12.5586 22.2045 9.57321 19.0058 30.1153 25.9391 29.2759 -0.111263 TIMING: 3426400 CPU: 10828.4, 0.00321394/step Wall: 10828.4, 0.00321394/step, 1.40485 hours remaining, 237.902344 MB of memory in use. ENERGY: 3426400 4018.9554 20494.1791 14504.6732 239.7332 -203644.4687 2670.4221 0.0000 0.0000 51898.9218 -109817.5840 298.2638 -161716.5057 -109469.8271 298.6603 105.5871 126.7696 762218.7192 1.9580 1.9657 PRESSURE: 3426600 -409.906 -130.646 -34.4665 -130.646 -145.129 -140.465 -34.4665 -140.464 -249.515 GPRESSURE: 3426600 -385.998 -140.917 -143.597 -51.8546 -103.19 -63.9059 -50.8419 -23.5368 -225.574 PRESSAVG: 3426600 -54.4582 45.5473 15.4619 45.5472 86.6628 53.416 15.4619 53.4158 13.1384 GPRESSAVG: 3426600 -56.1282 45.8348 14.5795 47.2898 89.2628 53.4534 15.5697 53.3207 12.1524 TIMING: 3426600 CPU: 10829.1, 0.00318093/step Wall: 10829.1, 0.00318093/step, 1.39024 hours remaining, 237.902344 MB of memory in use. ENERGY: 3426600 4050.5812 20369.8429 14433.4576 230.8166 -203430.9045 2612.2057 0.0000 0.0000 51873.7352 -109860.2653 298.1191 -161734.0004 -109493.4741 298.3164 -268.1832 -238.2543 763704.8200 15.1143 15.0957 PRESSURE: 3426800 247.343 37.9372 134.178 37.9375 -141.469 156.842 134.178 156.842 528.63 GPRESSURE: 3426800 290.57 -39.9546 139.61 88.6807 -39.7935 173.894 37.8428 132.382 474.875 PRESSAVG: 3426800 -13.6766 -3.7932 7.05637 -3.79322 40.9228 56.551 7.05639 56.551 -18.1038 GPRESSAVG: 3426800 -12.443 -3.50237 9.9329 -4.71862 40.7271 56.4336 5.38038 55.6437 -18.933 TIMING: 3426800 CPU: 10829.7, 0.00315166/step Wall: 10829.7, 0.00315166/step, 1.37727 hours remaining, 237.902344 MB of memory in use. ENERGY: 3426800 3967.0753 20492.7949 14408.5890 256.3517 -203561.2501 2749.0381 0.0000 0.0000 51890.4501 -109796.9509 298.2151 -161687.4010 -109438.0607 298.3524 211.5015 241.8839 760358.1118 3.0474 3.1170 PRESSURE: 3427000 -248.669 -127.768 -338.925 -127.768 79.5403 199.81 -338.926 199.81 219.069 GPRESSURE: 3427000 -99.9269 -70.3426 -277.475 -70.8249 25.558 205.974 -319.719 221.292 211.022 PRESSAVG: 3427000 -49.4476 0.740953 39.9256 0.740976 57.9958 31.3905 39.9256 31.3905 3.10147 GPRESSAVG: 3427000 -49.8152 -0.961976 38.1992 1.8605 57.4419 32.4261 39.0106 33.4878 3.41295 TIMING: 3427000 CPU: 10830.3, 0.00314592/step Wall: 10830.3, 0.00314592/step, 1.37459 hours remaining, 237.902344 MB of memory in use. ENERGY: 3427000 3964.3097 20489.0134 14414.7586 218.3693 -203687.9227 2633.6758 0.0000 0.0000 52099.7460 -109868.0500 299.4180 -161967.7960 -109504.3218 298.2751 16.6470 45.5511 760721.8796 3.8832 3.6799 PRESSURE: 3427200 -6.36006 -94.5538 -38.0393 -94.5533 -129.883 91.1058 -38.0397 91.1051 5.31904 GPRESSURE: 3427200 7.06341 -23.3885 41.588 -8.94269 -56.6839 -14.3491 -58.0564 126.74 22.869 PRESSAVG: 3427200 -34.1886 2.03189 -34.4153 2.03192 2.70412 -17.7872 -34.4153 -17.7872 19.0374 GPRESSAVG: 3427200 -33.2004 3.37124 -34.6523 1.0457 1.69091 -18.0476 -33.7812 -19.1764 19.1821 TIMING: 3427200 CPU: 10831, 0.00317668/step Wall: 10831, 0.00317668/step, 1.38786 hours remaining, 237.902344 MB of memory in use. ENERGY: 3427200 3974.0425 20467.3525 14384.2313 249.5694 -203756.6695 2616.2709 0.0000 0.0000 52084.5736 -109980.6293 299.3308 -162065.2030 -109615.2944 298.7575 -43.6415 -8.9171 762304.5210 -4.1490 -4.1091 PRESSURE: 3427400 58.2813 -311.427 -202.618 -311.426 -163.629 -34.3827 -202.618 -34.3812 -196.451 GPRESSURE: 3427400 86.0281 -236.811 -230.26 -249.309 -146.006 65.7305 -196.848 79.3153 -149.27 PRESSAVG: 3427400 -23.6664 -31.0361 22.5462 -31.036 22.0951 -8.22688 22.5462 -8.2268 -2.45887 GPRESSAVG: 3427400 -25.1647 -30.554 23.6647 -31.5421 22.7416 -6.18376 21.2151 -7.2698 -2.06919 TIMING: 3427400 CPU: 10831.6, 0.00317255/step Wall: 10831.6, 0.00317255/step, 1.38587 hours remaining, 237.902344 MB of memory in use. ENERGY: 3427400 4032.5930 20465.8399 14390.7614 256.9653 -203760.2374 2743.3961 0.0000 0.0000 51979.7171 -109890.9647 298.7281 -161870.6817 -109525.8961 298.6796 -100.5999 -69.7495 760846.4806 -1.3434 -1.4974 PRESSURE: 3427600 -348.146 -157.658 31.0543 -157.657 -542.986 -78.382 31.0547 -78.3823 -604.523 GPRESSURE: 3427600 -355.605 -0.0826858 111.959 -100.983 -504.177 -106.999 -35.8646 -78.2222 -561.877 PRESSAVG: 3427600 -38.8922 -76.3918 -66.066 -76.3918 8.96997 -29.4415 -66.0659 -29.4416 2.80229 GPRESSAVG: 3427600 -38.8459 -77.5405 -67.195 -75.1563 8.35505 -31.5091 -64.7191 -29.019 3.16889 TIMING: 3427600 CPU: 10832.2, 0.00316607/step Wall: 10832.2, 0.00316606/step, 1.38287 hours remaining, 237.902344 MB of memory in use. ENERGY: 3427600 3961.2743 20434.7459 14406.0528 258.0815 -203073.0738 2098.0895 0.0000 0.0000 51872.7088 -110042.1209 298.1132 -161914.8297 -109686.3427 298.4724 -498.5517 -473.8866 762161.9402 -9.0400 -9.1073 PRESSURE: 3427800 253.13 -127.335 -23.5811 -127.335 273.192 197.987 -23.5817 197.986 405.834 GPRESSURE: 3427800 324.449 -174.612 -19.728 -116.896 288.048 127.263 -89.5524 -12.7837 366.353 PRESSAVG: 3427800 22.5204 -8.02832 -13.2953 -8.02835 -29.6236 -15.7137 -13.2953 -15.7136 -2.9648 GPRESSAVG: 3427800 23.21 -8.42823 -11.8084 -8.06769 -30.2688 -16.3899 -13.2518 -16.5812 -2.95787 TIMING: 3427800 CPU: 10832.9, 0.00316533/step Wall: 10832.9, 0.00316533/step, 1.38237 hours remaining, 237.902344 MB of memory in use. ENERGY: 3427800 3951.4408 20551.8532 14451.5892 238.9446 -204228.9041 3160.6281 0.0000 0.0000 51777.4717 -110096.9766 297.5658 -161874.4484 -109743.3160 297.7814 310.7183 326.2833 760884.5846 -3.3560 -3.3389 PRESSURE: 3428000 -273.965 46.5815 93.7183 46.5819 190.887 -27.0745 93.7174 -27.0749 -398.451 GPRESSURE: 3428000 -177.268 65.6358 191.77 51.4329 155.776 28.105 151.333 91.7541 -353.911 PRESSAVG: 3428000 0.649045 -2.00027 -48.2454 -2.00018 7.88025 9.11508 -48.2454 9.11504 0.332405 GPRESSAVG: 3428000 0.351174 -1.20633 -48.6834 -2.96857 8.86213 10.2258 -50.0716 10.1181 -0.870631 TIMING: 3428000 CPU: 10833.5, 0.00314617/step Wall: 10833.5, 0.00314617/step, 1.37383 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3428000 3988.1701 20519.2233 14434.9063 245.8915 -203767.8729 2602.0124 0.0000 0.0000 51853.7669 -110123.9024 298.0043 -161977.6693 -109759.7764 297.8981 -160.5097 -125.1342 760787.8830 2.9539 2.7809 PRESSURE: 3428200 147.528 -104.239 -46.7203 -104.24 78.8954 271.606 -46.7199 271.606 19.1303 GPRESSURE: 3428200 131.588 12.0376 -20.2841 -57.1914 100.628 235.901 -124.878 374.851 95.3634 PRESSAVG: 3428200 2.82264 -78.1798 -6.50902 -78.1798 -11.8025 49.4916 -6.50901 49.4916 -9.60228 GPRESSAVG: 3428200 1.20534 -78.8081 -6.46848 -78.5843 -11.3988 48.0913 -5.52631 50.971 -8.77193 TIMING: 3428200 CPU: 10834.1, 0.0031571/step Wall: 10834.1, 0.0031571/step, 1.37843 hours remaining, 237.902344 MB of memory in use. ENERGY: 3428200 3880.4870 20526.9838 14474.5271 244.1879 -203301.4214 2598.3064 0.0000 0.0000 51841.1516 -109735.7775 297.9318 -161576.9291 -109371.8629 298.0646 81.8511 109.1932 759848.2553 -6.1940 -6.3218 LDB: ============= START OF LOAD BALANCING ============== 10846.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10846.5 LDB: =============== DONE WITH MIGRATION ================ 10846.5 LDB: ============= START OF LOAD BALANCING ============== 10846.8 LDB: Largest compute 7033 load 0.032020 is 16.3% of average load 0.196011 LDB: Average compute 0.004381 is 2.2% of average load 0.196011 LDB: TIME 10846.8 LOAD: AVG 0.196011 MAX 0.216641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.723 MB LDB: TIME 10846.8 LOAD: AVG 0.196011 MAX 0.216641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 10846.8 LOAD: AVG 0.196011 MAX 0.216641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: ============== END OF LOAD BALANCING =============== 10846.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10846.9 PRESSURE: 3428400 193.825 69.2697 70.3857 69.2697 -191.703 -93.3886 70.3848 -93.3878 274.583 GPRESSURE: 3428400 236.443 -52.3126 -13.3906 74.3541 -227.372 -29.492 5.82286 -55.8329 341.467 PRESSAVG: 3428400 35.2377 -27.7838 5.24634 -27.7837 11.5601 28.9226 5.24637 28.9226 -4.58467 GPRESSAVG: 3428400 34.8538 -27.6504 4.09932 -27.1438 10.7909 29.9408 5.83485 26.5833 -3.94925 TIMING: 3428400 CPU: 10834.8, 0.00323771/step Wall: 10834.8, 0.00323771/step, 1.41344 hours remaining, 238.472656 MB of memory in use. ENERGY: 3428400 3957.1403 20518.4146 14495.2577 238.9043 -203422.5709 2605.8513 0.0000 0.0000 51894.4635 -109712.5393 298.2382 -161607.0028 -109341.0379 298.5752 92.2351 116.8463 761240.9907 14.0710 13.8985 PRESSURE: 3428600 31.7376 -115.702 143.55 -115.701 -6.41256 224.332 143.549 224.331 -172.988 GPRESSURE: 3428600 0.18835 -145.187 202.038 -50.4347 106.016 247.163 153.608 34.3834 -167.753 PRESSAVG: 3428600 -60.6044 -18.483 0.633726 -18.483 19.4149 -5.25623 0.633714 -5.25617 -3.47193 GPRESSAVG: 3428600 -59.8141 -17.2749 2.60742 -19.0214 19.717 -6.45708 -3.68709 -6.8421 -4.03225 TIMING: 3428600 CPU: 10835.4, 0.00316361/step Wall: 10835.4, 0.00316361/step, 1.38091 hours remaining, 238.675781 MB of memory in use. ENERGY: 3428600 3936.9257 20590.6783 14419.9324 245.2637 -203955.2586 2917.8061 0.0000 0.0000 52279.0613 -109565.5912 300.4485 -161844.6525 -109206.6459 298.8288 -49.2210 -20.5165 761626.0063 -14.8871 -14.7098 PRESSURE: 3428800 -16.3416 -118.399 98.5362 -118.397 -165.511 60.809 98.5351 60.8102 -170.742 GPRESSURE: 3428800 34.6161 -36.3777 94.3823 -124.218 -120.644 78.2838 91.7269 152.14 -186.649 PRESSAVG: 3428800 -3.93371 -11.3557 20.4804 -11.3557 9.1382 -28.3672 20.4803 -28.3673 -10.9371 GPRESSAVG: 3428800 -2.99763 -13.7653 19.3214 -9.81464 8.49209 -29.2883 23.9261 -26.0638 -11.1442 TIMING: 3428800 CPU: 10836, 0.0031894/step Wall: 10836, 0.0031894/step, 1.39199 hours remaining, 238.675781 MB of memory in use. ENERGY: 3428800 4037.8754 20415.3567 14495.6826 244.3616 -203559.0352 2871.8420 0.0000 0.0000 51822.0035 -109671.9134 297.8218 -161493.9169 -109307.9338 299.1968 -117.5318 -90.8925 762642.1142 -1.9109 -1.8832 PRESSURE: 3429000 250.577 91.2391 -165.764 91.2389 137.672 -49.6076 -165.764 -49.6078 119.385 GPRESSURE: 3429000 352.89 257.654 -224.222 130.634 182.032 -36.7254 -69.7132 -14.6522 72.7468 PRESSAVG: 3429000 -2.93908 36.1715 -15.6815 36.1715 38.6564 45.9876 -15.6815 45.9877 4.80565 GPRESSAVG: 3429000 -3.94267 38.3324 -17.1915 37.3637 38.5846 48.6444 -13.8297 45.2541 6.07007 TIMING: 3429000 CPU: 10836.7, 0.0031511/step Wall: 10836.7, 0.0031511/step, 1.3751 hours remaining, 238.675781 MB of memory in use. ENERGY: 3429000 3980.6030 20568.0747 14550.8276 250.8806 -203631.6476 2549.8339 0.0000 0.0000 52129.4348 -109601.9930 299.5886 -161731.4278 -109232.4248 298.8289 169.2115 202.5564 760108.9295 13.5076 13.5707 PRESSURE: 3429200 30.2405 -6.9926 -97.4432 -6.99279 -22.4396 17.4979 -97.4428 17.4967 89.0212 GPRESSURE: 3429200 36.2096 21.0845 -93.5234 -74.2056 63.9766 41.0547 -154.54 -92.8343 69.0614 PRESSAVG: 3429200 24.6295 23.6703 37.2039 23.6702 13.068 31.6634 37.204 31.6634 -34.744 GPRESSAVG: 3429200 26.1569 23.2761 38.8447 22.8512 12.2481 30.6748 36.1033 28.9744 -35.1277 TIMING: 3429200 CPU: 10837.3, 0.0031429/step Wall: 10837.3, 0.0031429/step, 1.37135 hours remaining, 238.675781 MB of memory in use. ENERGY: 3429200 4042.8326 20608.0893 14512.9564 251.2718 -203617.7964 2549.2628 0.0000 0.0000 52061.3643 -109592.0192 299.1974 -161653.3835 -109230.4437 298.7841 32.2740 56.4159 760259.2550 0.9845 1.0924 PRESSURE: 3429400 -134.885 -46.0612 -148.853 -46.0615 -182.019 173.93 -148.854 173.931 -41.3474 GPRESSURE: 3429400 -139.575 -21.6004 17.1635 -107.199 -82.5538 199.366 -33.953 167.633 -54.8483 PRESSAVG: 3429400 13.4651 -10.8261 -2.1276 -10.8262 10.9132 23.2794 -2.12758 23.2794 -0.259985 GPRESSAVG: 3429400 13.3669 -9.95358 -4.27624 -11.3411 11.5921 22.0349 0.936169 27.7378 -1.03862 TIMING: 3429400 CPU: 10837.9, 0.00319158/step Wall: 10837.9, 0.00319158/step, 1.39241 hours remaining, 238.675781 MB of memory in use. ENERGY: 3429400 4015.2240 20467.6508 14512.9826 249.6473 -203492.0507 2528.3966 0.0000 0.0000 51834.6801 -109883.4692 297.8946 -161718.1493 -109520.2159 298.6509 -119.4170 -92.3257 761781.4016 8.0394 7.9734 PRESSURE: 3429600 -88.5209 152.612 222.358 152.612 -64.747 -17.9099 222.358 -17.909 109.408 GPRESSURE: 3429600 -59.2588 9.74714 209.869 100.914 -32.8969 -55.1412 134.377 -67.4008 123.875 PRESSAVG: 3429600 2.43533 21.4748 29.1934 21.4748 13.2837 16.1365 29.1933 16.1365 2.17941 GPRESSAVG: 3429600 0.751659 19.4994 29.5139 22.0557 14.456 18.3228 28.1653 15.3217 3.29085 TIMING: 3429600 CPU: 10838.6, 0.003162/step Wall: 10838.6, 0.003162/step, 1.37933 hours remaining, 238.675781 MB of memory in use. ENERGY: 3429600 3947.3938 20321.5314 14466.8232 255.3508 -203422.7686 2454.2264 0.0000 0.0000 52119.5787 -109857.8643 299.5319 -161977.4430 -109495.8757 298.1399 -14.6200 10.5730 761215.6813 5.9661 6.1662 PRESSURE: 3429800 266.306 56.7254 -100.594 56.7253 -22.0247 -32.7202 -100.594 -32.7194 -179.315 GPRESSURE: 3429800 211.26 78.7756 -92.6888 22.2373 66.3535 -79.8401 2.14078 -108.994 -129.115 PRESSAVG: 3429800 -9.86947 18.4477 46.632 18.4477 37.9772 -75.6 46.632 -75.6 6.90556 GPRESSAVG: 3429800 -8.76203 19.3669 47.3656 19.9631 37.3446 -74.9676 45.7139 -78.2688 5.81125 TIMING: 3429800 CPU: 10839.2, 0.00318545/step Wall: 10839.2, 0.00318545/step, 1.38939 hours remaining, 238.675781 MB of memory in use. ENERGY: 3429800 3986.2675 20458.3206 14457.8330 250.6841 -203523.2737 2623.6151 0.0000 0.0000 51817.2224 -109929.3310 297.7943 -161746.5534 -109574.1128 298.3064 21.6554 49.4995 760083.8872 11.6711 11.4646 PRESSURE: 3430000 -102.149 -179.933 -39.0973 -179.933 -81.4152 79.1897 -39.0971 79.1897 -20.6258 GPRESSURE: 3430000 -66.6033 -229.703 60.2185 -89.2691 12.5881 115.649 -133.388 139.179 -64.4297 PRESSAVG: 3430000 47.7998 12.6401 44.0352 12.6402 -18.9534 -50.1456 44.0351 -50.1456 -0.367228 GPRESSAVG: 3430000 48.3351 12.8702 44.6746 11.807 -18.3887 -51.6362 41.1412 -48.4402 -1.03646 TIMING: 3430000 CPU: 10839.8, 0.00316405/step Wall: 10839.8, 0.00316405/step, 1.37988 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3430000 3997.9640 20447.8583 14352.8036 249.9214 -203979.8240 2759.7232 0.0000 0.0000 52264.0281 -109907.5253 300.3621 -162171.5534 -109546.6580 298.5588 -68.0632 -39.4816 758972.0656 9.4930 9.6367 PRESSURE: 3430200 177.072 -154.122 16.9297 -154.122 199.668 33.0069 16.9299 33.006 -439.096 GPRESSURE: 3430200 146.805 -212.852 -22.6278 -160.343 249.09 50.1264 17.7711 9.66048 -373.805 PRESSAVG: 3430200 -7.14101 -61.4883 29.3388 -61.4884 -9.04513 1.77357 29.3387 1.77358 -26.9569 GPRESSAVG: 3430200 -9.20007 -60.7228 28.8279 -60.2416 -8.08366 2.92186 31.0584 2.23339 -26.2045 TIMING: 3430200 CPU: 10840.5, 0.00316835/step Wall: 10840.5, 0.00316835/step, 1.38158 hours remaining, 238.675781 MB of memory in use. ENERGY: 3430200 4037.1993 20519.7934 14431.2347 249.7771 -203838.6514 2860.4380 0.0000 0.0000 51668.4945 -110071.7144 296.9395 -161740.2089 -109715.3794 298.7716 -20.7857 7.3634 760397.0429 -14.3810 -14.4961 PRESSURE: 3430400 231.859 -95.3976 187.94 -95.3981 62.1704 106.77 187.94 106.771 -208.429 GPRESSURE: 3430400 302.174 -168.961 207.989 -215.707 99.5853 110.732 99.0864 65.2233 -235.35 PRESSAVG: 3430400 -15.1235 -41.2605 18.2158 -41.2605 8.72433 -45.6172 18.2159 -45.6171 -6.4155 GPRESSAVG: 3430400 -14.1935 -43.354 19.0558 -42.04 7.57669 -47.128 21.3612 -46.4621 -5.94912 TIMING: 3430400 CPU: 10841.1, 0.00318943/step Wall: 10841.1, 0.00318943/step, 1.39059 hours remaining, 238.675781 MB of memory in use. ENERGY: 3430400 3923.3643 20421.4412 14487.5615 241.6851 -203477.5133 2423.0796 0.0000 0.0000 51878.7392 -110101.6424 298.1478 -161980.3815 -109732.8584 298.2658 28.5337 55.4698 758849.4486 -4.2716 -4.1886 PRESSURE: 3430600 116.817 -107.961 -24.5267 -107.961 97.6364 105.979 -24.5257 105.979 310.251 GPRESSURE: 3430600 84.1469 -176.119 43.8448 -167.672 245.582 110.919 -25.6317 135.476 279.498 PRESSAVG: 3430600 -10.3761 -41.8946 25.4327 -41.8946 66.2525 37.3563 25.4327 37.3563 -5.44333 GPRESSAVG: 3430600 -8.82086 -39.6996 26.097 -43.6179 66.3506 38.8333 23.1528 37.4165 -6.52677 TIMING: 3430600 CPU: 10841.7, 0.00316764/step Wall: 10841.7, 0.00316764/step, 1.38091 hours remaining, 238.675781 MB of memory in use. ENERGY: 3430600 4013.6110 20487.1810 14389.2866 246.0606 -203755.7099 2754.1695 0.0000 0.0000 52042.9012 -109822.5000 299.0913 -161865.4012 -109467.0985 298.2746 174.9015 203.0756 760356.5729 16.8110 17.0010 PRESSURE: 3430800 -56.0261 61.1885 134.69 61.1879 -60.0184 -235.771 134.69 -235.771 -264.773 GPRESSURE: 3430800 49.3645 -52.7693 157.753 172.165 -91.4721 -251.504 17.9094 -151.056 -252.267 PRESSAVG: 3430800 -76.4662 -65.0318 2.73283 -65.0319 35.2066 29.5488 2.73281 29.5488 15.9776 GPRESSAVG: 3430800 -76.9893 -65.612 0.554529 -63.2825 36.5239 29.04 3.37788 30.0643 15.3023 TIMING: 3430800 CPU: 10842.4, 0.00316185/step Wall: 10842.4, 0.00316185/step, 1.37821 hours remaining, 238.675781 MB of memory in use. ENERGY: 3430800 3985.8812 20554.6592 14378.0903 238.5186 -203323.8332 2557.5008 0.0000 0.0000 51913.4651 -109695.7181 298.3474 -161609.1832 -109336.8920 298.7929 -126.9391 -98.1248 760864.5342 -8.4273 -8.3877 PRESSURE: 3431000 -176.231 57.2869 159.786 57.2864 -111.332 42.8036 159.787 42.8029 -104.34 GPRESSURE: 3431000 -143.431 57.0379 104.358 81.0048 -77.8107 -72.2658 117.958 -46.3228 -86.5613 PRESSAVG: 3431000 14.4746 -28.6733 -8.5778 -28.6734 -25.9394 4.31009 -8.57787 4.3101 4.12944 GPRESSAVG: 3431000 14.153 -31.5872 -9.11403 -29.3263 -27.121 4.88124 -9.182 3.90676 5.26666 TIMING: 3431000 CPU: 10843, 0.00318827/step Wall: 10843, 0.00318827/step, 1.38955 hours remaining, 238.675781 MB of memory in use. ENERGY: 3431000 4075.2454 20516.5555 14374.1828 235.4567 -202883.0901 2200.1420 0.0000 0.0000 51870.6269 -109610.8807 298.1012 -161481.5077 -109252.2127 298.8958 -130.6343 -102.6011 763204.5853 -2.4451 -2.5671 PRESSURE: 3431200 -72.7973 -10.8434 10.1546 -10.8436 -119.262 -79.809 10.1549 -79.8098 -115.06 GPRESSURE: 3431200 29.3414 -34.3417 -8.88053 -40.5737 -48.821 -63.9306 -96.8477 -146.746 -190.083 PRESSAVG: 3431200 -20.4729 -3.23915 4.6406 -3.23913 29.9349 0.282576 4.64066 0.282511 -24.8959 GPRESSAVG: 3431200 -20.9766 -1.33374 5.56353 -2.4481 32.0149 -0.943261 4.61985 -0.701793 -25.7638 TIMING: 3431200 CPU: 10843.7, 0.00317903/step Wall: 10843.7, 0.00317903/step, 1.38535 hours remaining, 238.675781 MB of memory in use. ENERGY: 3431200 4024.8765 20484.2803 14395.5356 247.5061 -203281.3697 2556.2753 0.0000 0.0000 52039.1849 -109533.7108 299.0699 -161572.8958 -109170.0905 299.2344 -102.3734 -69.8541 760953.8805 -5.1446 -4.9085 PRESSURE: 3431400 -478.531 298.692 -103.358 298.693 281.837 -115.208 -103.357 -115.209 89.8072 GPRESSURE: 3431400 -334.892 258.695 -155.436 189.85 233.429 -51.9195 -72.9143 -266.122 96.7117 PRESSAVG: 3431400 -56.3116 -63.3889 11.5513 -63.3888 72.9863 9.51877 11.5513 9.51874 -1.66469 GPRESSAVG: 3431400 -54.6284 -62.1539 12.5627 -64.4349 69.6261 10.3374 9.79541 11.6131 -0.109801 TIMING: 3431400 CPU: 10844.3, 0.00316713/step Wall: 10844.3, 0.00316713/step, 1.37999 hours remaining, 238.675781 MB of memory in use. ENERGY: 3431400 3935.1724 20701.4859 14440.2740 250.9904 -203299.5931 2519.2366 0.0000 0.0000 52224.1405 -109228.2933 300.1329 -161452.4338 -108869.5853 299.4372 -35.6290 -1.5837 760282.9781 5.0034 4.9626 PRESSURE: 3431600 -290.583 -178.892 -147.845 -178.892 -186.414 -5.23955 -147.845 -5.2384 369.626 GPRESSURE: 3431600 -169.668 -203.753 -38.7857 -137.499 -193.769 29.3172 -104.486 77.3939 325.643 PRESSAVG: 3431600 -29.4264 -30.5644 -4.0072 -30.5644 7.90836 56.315 -4.00715 56.315 11.0175 GPRESSAVG: 3431600 -30.7192 -31.291 -5.50269 -30.6389 10.2417 57.5761 -1.21452 55.0862 10.4939 TIMING: 3431600 CPU: 10844.9, 0.00317595/step Wall: 10844.9, 0.00317595/step, 1.38365 hours remaining, 238.675781 MB of memory in use. ENERGY: 3431600 3976.9000 20648.0345 14440.5434 234.1312 -203508.3218 2588.8474 0.0000 0.0000 52351.1725 -109268.6928 300.8629 -161619.8654 -108897.1755 299.8121 -35.7904 -12.5982 761204.3020 -3.5002 -3.3279 PRESSURE: 3431800 -23.9235 -161.092 160.948 -161.091 -42.8108 217.204 160.948 217.204 52.2321 GPRESSURE: 3431800 24.0478 -27.008 207.524 -149.632 -28.8576 233.115 258.201 115.75 85.0362 PRESSAVG: 3431800 -25.1011 -56.0803 -13.275 -56.0803 40.3408 10.5868 -13.2751 10.5868 19.0995 GPRESSAVG: 3431800 -24.4003 -55.2297 -13.0116 -55.6788 40.1117 9.13488 -15.0234 11.1436 18.6152 TIMING: 3431800 CPU: 10845.6, 0.00318687/step Wall: 10845.6, 0.00318687/step, 1.38823 hours remaining, 238.675781 MB of memory in use. ENERGY: 3431800 3975.8701 20716.7718 14417.9952 247.3393 -203560.4998 2620.6594 0.0000 0.0000 52205.3019 -109376.5620 300.0246 -161581.8639 -109017.4649 299.4679 -4.8341 26.7422 760810.6806 11.4464 11.4422 PRESSURE: 3432000 75.0406 -55.4675 15.2788 -55.4676 52.6994 21.4991 15.278 21.4983 -243.258 GPRESSURE: 3432000 167.262 -166.588 53.313 45.006 100.427 52.7238 51.8905 52.7839 -306.169 PRESSAVG: 3432000 0.988463 -54.9927 -10.5959 -54.9927 30.881 70.7376 -10.5959 70.7376 6.44592 GPRESSAVG: 3432000 -0.047102 -54.5464 -9.73581 -54.5831 30.3125 71.182 -10.0767 70.8659 7.60657 TIMING: 3432000 CPU: 10846.2, 0.00317096/step Wall: 10846.2, 0.00317096/step, 1.38113 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3432000 4018.5634 20495.2980 14466.2265 243.2120 -203348.0089 2401.7809 0.0000 0.0000 52374.0453 -109348.8828 300.9944 -161722.9281 -108974.9341 299.7718 -38.5060 -12.8266 761165.3856 12.7718 12.6240 PRESSURE: 3432200 -22.5589 -11.8635 -126.09 -11.8635 244.604 -238.042 -126.091 -238.041 178.561 GPRESSURE: 3432200 40.6007 17.8507 -141.469 -15.5791 270.343 -230.55 -95.2734 -137.832 176.24 PRESSAVG: 3432200 -14.4432 -18.508 52.2033 -18.508 -34.967 -11.4715 52.2033 -11.4715 -13.0571 GPRESSAVG: 3432200 -14.4902 -20.7543 51.898 -17.8223 -33.3457 -13.9272 49.8025 -9.9328 -14.9265 TIMING: 3432200 CPU: 10846.8, 0.00317274/step Wall: 10846.8, 0.00317274/step, 1.38173 hours remaining, 238.675781 MB of memory in use. ENERGY: 3432200 3999.2650 20579.8831 14432.8541 254.9840 -203545.2599 2780.0517 0.0000 0.0000 52094.4699 -109403.7521 299.3876 -161498.2219 -109044.5893 299.4898 133.5354 162.3947 759747.9823 -20.8224 -20.9208 LDB: ============= START OF LOAD BALANCING ============== 10859.2 LDB: ============== END OF LOAD BALANCING =============== 10859.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10859.2 LDB: ============= START OF LOAD BALANCING ============== 10859.5 LDB: Largest compute 7033 load 0.029854 is 15.2% of average load 0.196005 LDB: Average compute 0.004364 is 2.2% of average load 0.196005 LDB: TIME 10859.5 LOAD: AVG 0.196005 MAX 0.215738 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.16 MB LDB: TIME 10859.5 LOAD: AVG 0.196005 MAX 0.215738 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: TIME 10859.5 LOAD: AVG 0.196005 MAX 0.215738 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: ============== END OF LOAD BALANCING =============== 10859.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10859.6 PRESSURE: 3432400 -53.1586 193.235 181.572 193.234 -151.345 8.3343 181.572 8.33502 98.2314 GPRESSURE: 3432400 -47.8552 297.405 266.016 160.045 -29.9439 12.3398 173.205 -40.8071 42.5204 PRESSAVG: 3432400 -40.2715 -68.3121 46.3865 -68.312 28.1833 -27.6093 46.3865 -27.6093 -12.7625 GPRESSAVG: 3432400 -40.25 -66.4772 46.4388 -68.2559 28.1756 -24.6812 48.5024 -29.1779 -12.3478 TIMING: 3432400 CPU: 10847.5, 0.00322379/step Wall: 10847.5, 0.00322379/step, 1.40378 hours remaining, 237.843750 MB of memory in use. ENERGY: 3432400 4074.1259 20490.5283 14484.0610 257.6519 -203578.5735 2780.2528 0.0000 0.0000 52070.0121 -109421.9415 299.2471 -161491.9537 -109053.7063 299.8209 -35.4239 -11.7596 761613.1698 -8.2836 -8.1407 PRESSURE: 3432600 151.964 -34.4066 106.426 -34.407 -185.655 61.1376 106.426 61.1379 45.1402 GPRESSURE: 3432600 187.985 25.7334 113.346 -55.0599 -173.294 62.6671 27.6969 40.8021 88.0275 PRESSAVG: 3432600 26.1294 -76.343 -28.2237 -76.3429 -9.6214 -29.6595 -28.2237 -29.6595 -2.78644 GPRESSAVG: 3432600 25.9231 -77.9606 -29.4403 -73.8837 -11.243 -30.5836 -29.2506 -29.1935 -0.313949 TIMING: 3432600 CPU: 10848.1, 0.00315485/step Wall: 10848.1, 0.00315485/step, 1.37359 hours remaining, 237.843750 MB of memory in use. ENERGY: 3432600 3993.1607 20426.7470 14456.9159 249.7362 -203425.9530 2723.3842 0.0000 0.0000 52095.9625 -109480.0465 299.3962 -161576.0090 -109113.4475 299.3719 3.8163 34.2396 762144.1620 4.5739 4.7887 PRESSURE: 3432800 127.39 36.5975 -41.0404 36.5979 65.3726 -34.1893 -41.0408 -34.1883 318.422 GPRESSURE: 3432800 96.0789 -32.7286 20.3913 128.295 239.545 47.4615 -18.8159 -150.22 261.901 PRESSAVG: 3432800 -18.0463 -44.6023 -76.805 -44.6023 -9.39174 -25.8015 -76.805 -25.8015 -0.820589 GPRESSAVG: 3432800 -17.8981 -43.5204 -76.74 -48.0441 -8.85168 -27.0825 -77.1116 -26.2609 -1.65025 TIMING: 3432800 CPU: 10848.7, 0.00314252/step Wall: 10848.7, 0.00314252/step, 1.36804 hours remaining, 237.843750 MB of memory in use. ENERGY: 3432800 4040.2840 20530.8459 14516.7092 252.6348 -203873.3570 2699.8124 0.0000 0.0000 52429.1396 -109403.9310 301.3110 -161833.0706 -109035.0602 299.3171 170.3951 199.1749 759809.1522 -9.4196 -9.4667 PRESSURE: 3433000 -71.9581 62.6182 31.9297 62.6187 181.832 -67.3179 31.9296 -67.319 85.5075 GPRESSURE: 3433000 80.8431 86.7375 72.0063 44.7085 185.088 -85.2467 66.6717 -98.5656 31.8946 PRESSAVG: 3433000 -8.00126 -16.0148 1.04172 -16.0148 2.71941 -66.4529 1.0417 -66.453 -35.5269 GPRESSAVG: 3433000 -8.16067 -14.483 2.29605 -15.7483 3.4777 -64.8438 1.03017 -65.9535 -35.8751 TIMING: 3433000 CPU: 10849.4, 0.00316708/step Wall: 10849.4, 0.00316708/step, 1.37856 hours remaining, 237.843750 MB of memory in use. ENERGY: 3433000 3992.1531 20394.8904 14466.3201 249.1685 -203573.6223 2579.8962 0.0000 0.0000 52352.2829 -109538.9110 300.8693 -161891.1940 -109169.1942 299.3075 65.1271 99.2751 760361.3228 -13.6029 -13.5194 PRESSURE: 3433200 -241.631 -223.037 26.4706 -223.038 -135.227 -21.0586 26.4709 -21.0587 -22.4271 GPRESSURE: 3433200 -193.704 -220.137 19.6908 -128.308 -198.444 -40.8684 32.6477 -41.575 73.0529 PRESSAVG: 3433200 15.7693 -9.97118 46.0451 -9.97109 -14.2046 -25.1209 46.0452 -25.1208 26.5333 GPRESSAVG: 3433200 16.7168 -10.8585 44.8649 -9.22486 -15.3561 -26.4952 48.158 -24.3161 26.3075 TIMING: 3433200 CPU: 10850, 0.00314026/step Wall: 10850, 0.00314026/step, 1.36671 hours remaining, 237.843750 MB of memory in use. ENERGY: 3433200 4012.3727 20496.0423 14468.3184 239.6532 -202956.9970 2125.0953 0.0000 0.0000 52110.0555 -109505.4595 299.4772 -161615.5149 -109141.3419 298.9912 -133.0950 -106.3652 760551.1797 9.3660 9.2228 PRESSURE: 3433400 -43.0028 71.9343 283.431 71.9348 -175.998 60.5283 283.431 60.5281 149.664 GPRESSURE: 3433400 53.372 89.0124 223.4 44.3078 -104.455 93.5881 210.618 162.037 62.885 PRESSAVG: 3433400 -17.1765 4.10586 31.0826 4.10582 2.41501 -18.699 31.0826 -18.699 1.63325 GPRESSAVG: 3433400 -17.9108 4.43504 32.3139 4.56352 3.0953 -16.7285 30.5113 -18.8189 1.9274 TIMING: 3433400 CPU: 10850.6, 0.00315199/step Wall: 10850.6, 0.00315199/step, 1.37164 hours remaining, 237.843750 MB of memory in use. ENERGY: 3433400 3915.8902 20433.0137 14557.5222 257.1427 -203284.3730 2542.1013 0.0000 0.0000 51943.8965 -109634.8065 298.5223 -161578.7030 -109268.0140 298.9130 -23.1124 3.9339 761956.8777 -4.3761 -4.2960 PRESSURE: 3433600 183.886 -9.61394 -188.208 -9.61377 -113.624 -79.6077 -188.208 -79.6076 466.917 GPRESSURE: 3433600 168.432 -19.4409 -212.055 -68.035 -116.594 -38.7967 -81.5355 -198.306 558.42 PRESSAVG: 3433600 23.6924 1.29036 -7.66713 1.29032 -16.3597 -54.1173 -7.66706 -54.1173 23.6574 GPRESSAVG: 3433600 24.4727 1.11206 -6.79562 -1.38402 -15.1738 -54.937 -8.44597 -54.7754 22.1748 TIMING: 3433600 CPU: 10851.3, 0.00315194/step Wall: 10851.3, 0.00315194/step, 1.37144 hours remaining, 237.843750 MB of memory in use. ENERGY: 3433600 3962.2054 20429.1329 14432.5321 238.2435 -203794.5628 2860.6867 0.0000 0.0000 52119.8101 -109751.9521 299.5333 -161871.7623 -109391.5497 299.1114 179.0598 203.4194 761679.8663 10.3300 10.4912 PRESSURE: 3433800 -77.7229 -210.898 -88.0975 -210.897 25.0959 -192.006 -88.0972 -192.007 -335.366 GPRESSURE: 3433800 -77.8269 -297.324 -119.849 -325.96 72.1599 -191.198 -108.082 -54.0003 -283.047 PRESSAVG: 3433800 64.0613 -18.3884 -52.4428 -18.3884 -54.8523 -65.8484 -52.4428 -65.8485 -7.56564 GPRESSAVG: 3433800 64.0529 -20.3434 -53.4644 -17.3824 -56.9996 -64.9501 -51.4627 -65.745 -5.56805 TIMING: 3433800 CPU: 10851.9, 0.00313569/step Wall: 10851.9, 0.00313569/step, 1.3642 hours remaining, 237.843750 MB of memory in use. ENERGY: 3433800 3912.0204 20386.3758 14440.5084 249.8157 -203476.0628 2716.1746 0.0000 0.0000 52034.6532 -109736.5147 299.0439 -161771.1678 -109371.7587 299.0385 -129.3308 -96.2380 763012.8296 0.5478 0.4951 PRESSURE: 3434000 -52.4232 -194.785 5.53427 -194.786 168.623 -157.962 5.53507 -157.962 50.7568 GPRESSURE: 3434000 78.9336 -118.959 26.5474 -119.553 97.6509 -157.886 -10.5465 -152.048 85.2652 PRESSAVG: 3434000 36.3938 9.18628 -16.9636 9.18627 -18.5879 -13.3708 -16.9636 -13.3708 -3.72679 GPRESSAVG: 3434000 36.9585 12.5145 -16.9666 9.4715 -19.2806 -16.267 -18.4598 -14.0427 -4.13486 TIMING: 3434000 CPU: 10852.5, 0.00315029/step Wall: 10852.5, 0.00315029/step, 1.37038 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3434000 3925.9983 20376.8045 14523.7947 252.0073 -203522.3637 2673.4312 0.0000 0.0000 52070.5149 -109699.8128 299.2500 -161770.3277 -109339.9170 298.9159 55.6521 87.2832 763632.7606 4.6930 4.5143 PRESSURE: 3434200 30.2477 -64.5203 -18.1587 -64.5209 -298.439 73.6928 -18.1574 73.6923 -267.74 GPRESSURE: 3434200 48.3164 -103.075 -5.30294 -136.262 -299.123 2.08787 8.70386 147.485 -195.189 PRESSAVG: 3434200 37.0025 10.2891 -0.31819 10.2892 -16.5941 -62.9979 -0.318121 -62.9979 -3.74734 GPRESSAVG: 3434200 36.3906 8.01399 -0.402292 13.1121 -15.4652 -60.9035 1.56288 -61.6343 -4.63487 TIMING: 3434200 CPU: 10853.1, 0.00316813/step Wall: 10853.1, 0.00316813/step, 1.37796 hours remaining, 237.843750 MB of memory in use. ENERGY: 3434200 4026.1009 20365.7879 14475.7047 237.5990 -203147.5762 2622.2397 0.0000 0.0000 51859.1815 -109560.9625 298.0354 -161420.1440 -109206.7959 298.4483 -178.6435 -148.6654 761602.5303 5.5537 5.4302 PRESSURE: 3434400 30.0337 97.4009 34.1118 97.4007 -396.099 39.4157 34.1116 39.4165 -385.62 GPRESSURE: 3434400 104.933 -3.30774 -1.28271 56.7208 -370.887 -35.6297 -3.78321 112.627 -395.432 PRESSAVG: 3434400 48.9141 -3.12787 -2.4362 -3.12786 -82.2289 -39.3101 -2.43625 -39.3101 13.6269 GPRESSAVG: 3434400 48.1931 -4.64487 -2.37911 -4.38076 -82.3934 -40.8106 -6.32606 -39.4506 14.1784 TIMING: 3434400 CPU: 10853.8, 0.00315172/step Wall: 10853.8, 0.00315172/step, 1.37065 hours remaining, 237.843750 MB of memory in use. ENERGY: 3434400 3995.3597 20454.4782 14407.8247 246.0451 -202818.7299 2286.5046 0.0000 0.0000 51830.3739 -109598.1438 297.8699 -161428.5177 -109243.9392 298.5810 -250.5619 -220.4620 763241.1630 -6.5626 -6.6740 PRESSURE: 3434600 216.608 -10.8278 -68.5295 -10.8283 36.2891 -16.8294 -68.5301 -16.8302 417.032 GPRESSURE: 3434600 194.089 -31.4196 -69.982 -43.9569 177.946 102.136 -101.705 -27.9129 385.91 PRESSAVG: 3434600 4.04467 -47.0789 4.72024 -47.079 28.4274 12.9814 4.7202 12.9814 -15.0383 GPRESSAVG: 3434600 3.72645 -46.1452 4.459 -46.8351 28.176 16.3711 5.10116 13.3539 -14.5311 TIMING: 3434600 CPU: 10854.4, 0.00311991/step Wall: 10854.4, 0.00311991/step, 1.35664 hours remaining, 237.843750 MB of memory in use. ENERGY: 3434600 3904.8957 20414.8509 14377.6362 263.8597 -203534.2345 2918.8947 0.0000 0.0000 52057.3817 -109596.7157 299.1745 -161654.0974 -109229.5289 298.7315 223.3095 252.6481 762388.3501 5.8113 5.7905 PRESSURE: 3434800 51.1111 -94.5382 13.7839 -94.5383 99.5329 301.769 13.7832 301.77 40.1788 GPRESSURE: 3434800 148.559 -26.6477 28.8714 -78.4816 102.161 295.991 10.7214 203.353 34.9686 PRESSAVG: 3434800 49.9479 -62.6737 7.53721 -62.6738 -44.8201 -22.3914 7.53721 -22.3914 17.96 GPRESSAVG: 3434800 50.2396 -61.073 8.26759 -64.2338 -45.0603 -25.1865 7.12383 -23.1587 17.3497 TIMING: 3434800 CPU: 10855, 0.0031435/step Wall: 10855, 0.0031435/step, 1.36672 hours remaining, 237.843750 MB of memory in use. ENERGY: 3434800 3971.0270 20546.3779 14412.6120 258.3777 -203246.8965 2637.3139 0.0000 0.0000 52155.5882 -109265.5998 299.7389 -161421.1880 -108906.7585 298.6682 63.6076 95.2295 762147.2071 7.6960 7.5097 PRESSURE: 3435000 19.1859 70.2317 -57.7574 70.2313 -109.971 -31.7815 -57.7576 -31.7814 -121.375 GPRESSURE: 3435000 60.9191 60.3676 35.3067 68.5442 -91.1953 -36.271 -73.5841 -34.0406 -98.4955 PRESSAVG: 3435000 17.2636 -6.84568 -48.8816 -6.8456 -33.711 16.0101 -48.8816 16.0101 -8.2095 GPRESSAVG: 3435000 18.2124 -6.18834 -49.9338 -7.78555 -34.9485 15.9673 -46.657 16.984 -7.87378 TIMING: 3435000 CPU: 10855.7, 0.00313055/step Wall: 10855.7, 0.00313055/step, 1.36092 hours remaining, 237.843750 MB of memory in use. ENERGY: 3435000 3985.5505 20396.5806 14461.3161 243.5023 -203013.5860 2498.7354 0.0000 0.0000 52076.7488 -109351.1523 299.2858 -161427.9011 -108984.3671 298.9385 -70.7200 -42.9239 761523.4001 -8.2190 -8.2033 PRESSURE: 3435200 42.4702 8.58532 105.473 8.58486 -336.562 -99.1719 105.473 -99.1718 -85.8496 GPRESSURE: 3435200 70.5807 147.272 63.1545 -108.185 -258.732 -204.269 35.8046 -51.4523 -113.385 PRESSAVG: 3435200 36.6601 3.81244 -1.22146 3.8124 -20.0194 42.6143 -1.22153 42.6144 -8.7589 GPRESSAVG: 3435200 37.0635 2.64569 -1.06082 7.36267 -19.4078 42.3845 -2.75344 41.6526 -9.83147 TIMING: 3435200 CPU: 10856.3, 0.00318077/step Wall: 10856.3, 0.00318077/step, 1.38258 hours remaining, 237.843750 MB of memory in use. ENERGY: 3435200 3984.7830 20478.7638 14444.2395 243.9854 -202803.4056 2333.5190 0.0000 0.0000 52070.1143 -109248.0006 299.2477 -161318.1149 -108885.3770 299.6023 -126.6471 -100.5118 762927.7014 2.6273 2.6081 PRESSURE: 3435400 -10.4498 51.585 58.9113 51.5837 -24.1636 61.1104 58.9125 61.11 458.533 GPRESSURE: 3435400 -3.09514 98.5789 -27.9242 53.6221 67.7086 3.63537 72.5188 114.332 449.029 PRESSAVG: 3435400 -27.765 -8.89233 -43.3155 -8.89231 21.7204 -61.3519 -43.3154 -61.352 -20.7445 GPRESSAVG: 3435400 -28.4064 -7.8625 -43.8661 -9.86227 22.128 -60.3255 -43.4228 -59.4434 -20.0935 TIMING: 3435400 CPU: 10856.9, 0.00317132/step Wall: 10856.9, 0.00317132/step, 1.37829 hours remaining, 237.843750 MB of memory in use. ENERGY: 3435400 4009.9019 20573.0087 14454.8455 253.0455 -202776.2029 2345.2829 0.0000 0.0000 52190.2538 -108949.8645 299.9381 -161140.1183 -108591.9923 299.7283 141.3066 171.2141 761039.3508 -8.9297 -8.7906 PRESSURE: 3435600 -146.025 -133.103 266.871 -133.103 -89.8029 126.494 266.871 126.496 121.006 GPRESSURE: 3435600 -99.1584 -112.618 272.377 -203.778 -67.5026 130.483 162.168 126.054 142.44 PRESSAVG: 3435600 3.36878 -28.1533 42.4146 -28.1533 -24.2679 64.6717 42.4146 64.6718 -23.8326 GPRESSAVG: 3435600 3.53952 -27.8616 43.6179 -28.061 -23.9274 64.5699 40.7055 62.6555 -24.1668 TIMING: 3435600 CPU: 10857.6, 0.00318133/step Wall: 10857.6, 0.00318133/step, 1.38246 hours remaining, 237.843750 MB of memory in use. ENERGY: 3435600 3990.8430 20407.7246 14478.8863 241.2547 -203133.3221 2677.2711 0.0000 0.0000 52132.5972 -109204.7453 299.6068 -161337.3425 -108837.1295 299.9174 -38.2741 -8.0737 760754.3330 -14.9106 -14.8516 PRESSURE: 3435800 -123.945 70.8483 6.23069 70.848 327.396 40.6249 6.23074 40.6251 94.4841 GPRESSURE: 3435800 87.2525 31.9067 -64.969 43.2489 126.173 54.4352 22.6669 -47.1715 164.236 PRESSAVG: 3435800 34.9952 3.88603 25.6691 3.88604 -11.2561 -8.45992 25.6692 -8.46001 -0.155045 GPRESSAVG: 3435800 35.8763 2.42643 25.4761 2.73421 -12.5803 -7.52588 27.7677 -7.73708 -0.414248 TIMING: 3435800 CPU: 10858.2, 0.00318884/step Wall: 10858.2, 0.00318885/step, 1.38555 hours remaining, 237.843750 MB of memory in use. ENERGY: 3435800 3958.2219 20555.1862 14416.8066 230.7182 -203344.2524 2436.9969 0.0000 0.0000 52234.0634 -109512.2591 300.1899 -161746.3225 -109153.3755 299.1591 99.3116 125.8873 760942.3514 7.8614 7.6272 PRESSURE: 3436000 178.279 -59.4798 -139.342 -59.4795 79.9061 -261.498 -139.342 -261.497 271.467 GPRESSURE: 3436000 193.381 -89.8068 -126.426 -127.46 115.428 -225.519 -146.245 -214.003 320.304 PRESSAVG: 3436000 55.2845 13.4391 -32.2484 13.4391 -35.2266 2.10035 -32.2485 2.10033 17.9436 GPRESSAVG: 3436000 54.0641 12.8587 -32.6513 14.7146 -34.098 3.77671 -31.8925 2.06187 17.6639 TIMING: 3436000 CPU: 10858.8, 0.00319996/step Wall: 10858.8, 0.00319996/step, 1.3902 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3436000 3998.6674 20561.4199 14507.8296 258.5304 -203175.1952 2368.9887 0.0000 0.0000 52055.9544 -109423.8048 299.1663 -161479.7592 -109070.8466 299.5025 176.5506 209.7044 758610.9260 12.6672 12.5433 PRESSURE: 3436200 -11.0788 2.83766 -237.582 2.83763 165.661 103.079 -237.582 103.08 -243.997 GPRESSURE: 3436200 -64.0405 -205.616 -332.756 -39.1427 312.411 49.3579 -155.466 194.439 -262.996 PRESSAVG: 3436200 14.2614 42.7123 20.3595 42.7123 17.0071 3.44948 20.3595 3.44942 -36.8015 GPRESSAVG: 3436200 12.7585 43.8438 21.0269 41.6032 17.4772 2.35911 20.4949 5.31364 -35.6704 TIMING: 3436200 CPU: 10859.5, 0.00314384/step Wall: 10859.5, 0.00314384/step, 1.36565 hours remaining, 237.843750 MB of memory in use. ENERGY: 3436200 4023.3957 20503.8445 14454.9887 236.6171 -202890.8116 2433.4312 0.0000 0.0000 52027.8975 -109210.6371 299.0050 -161238.5346 -108835.3207 299.4571 -29.8051 -4.8755 759740.2189 -1.8443 -1.8116 LDB: ============= START OF LOAD BALANCING ============== 10871.9 LDB: ============== END OF LOAD BALANCING =============== 10871.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10871.9 LDB: ============= START OF LOAD BALANCING ============== 10872.2 LDB: Largest compute 7068 load 0.031584 is 16.1% of average load 0.196056 LDB: Average compute 0.004369 is 2.2% of average load 0.196056 LDB: TIME 10872.2 LOAD: AVG 0.196056 MAX 0.219601 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 10872.2 LOAD: AVG 0.196056 MAX 0.219601 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.145 MB LDB: TIME 10872.2 LOAD: AVG 0.196056 MAX 0.218501 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.145 MB LDB: ============== END OF LOAD BALANCING =============== 10872.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10872.2 PRESSURE: 3436400 219.791 -48.179 -13.5159 -48.1785 72.2495 -3.67777 -13.5156 -3.67689 -158.828 GPRESSURE: 3436400 227.8 19.2023 -1.03229 -35.2229 150.425 -13.0468 -57.5278 -26.023 -156.537 PRESSAVG: 3436400 -31.9081 -44.3069 -7.00003 -44.3069 43.1961 -2.11779 -7.00004 -2.11777 -20.4078 GPRESSAVG: 3436400 -30.2583 -45.107 -8.67866 -41.4447 42.5951 -2.78517 -6.03328 -2.86813 -21.5139 TIMING: 3436400 CPU: 10860.1, 0.00321292/step Wall: 10860.1, 0.00321292/step, 1.39548 hours remaining, 240.414062 MB of memory in use. ENERGY: 3436400 4013.2333 20703.1334 14439.3494 247.4094 -203816.8724 2850.1413 0.0000 0.0000 52327.7583 -109235.8473 300.7283 -161563.6056 -108869.1858 299.7768 44.4042 73.8960 759889.8700 -3.0399 -3.0590 PRESSURE: 3436600 -235.551 22.1927 59.1991 22.1913 -27.3018 -261.936 59.1991 -261.936 316.927 GPRESSURE: 3436600 -71.4083 -8.1006 80.1159 -79.8938 -36.9718 -339.835 -73.9737 -235.245 249.887 PRESSAVG: 3436600 51.3692 19.4995 43.2618 19.4995 3.11821 -22.9198 43.2618 -22.9198 12.6879 GPRESSAVG: 3436600 51.3364 20.5489 44.7249 16.1247 3.04447 -23.4646 39.5778 -22.7765 12.8261 TIMING: 3436600 CPU: 10860.7, 0.00314602/step Wall: 10860.7, 0.00314602/step, 1.36625 hours remaining, 240.484375 MB of memory in use. ENERGY: 3436600 3998.0062 20480.2407 14523.1873 250.2515 -203298.3102 2558.0480 0.0000 0.0000 52051.2842 -109437.2922 299.1394 -161488.5764 -109075.8066 300.3844 18.0248 47.1688 760179.5682 22.3918 22.4023 PRESSURE: 3436800 243.613 25.1593 57.0903 25.1595 226.968 91.8863 57.0905 91.8859 297.076 GPRESSURE: 3436800 146.265 39.4714 73.4335 4.04165 347.384 29.4908 104.362 126.311 362.419 PRESSAVG: 3436800 -1.01964 8.83024 54.4613 8.83019 -25.144 -56.1464 54.4613 -56.1465 8.51567 GPRESSAVG: 3436800 -0.782423 9.82107 53.0427 8.44714 -26.3207 -54.4466 56.2249 -57.6986 9.64715 TIMING: 3436800 CPU: 10861.4, 0.00314966/step Wall: 10861.4, 0.00314966/step, 1.36765 hours remaining, 240.484375 MB of memory in use. ENERGY: 3436800 3960.5785 20358.7803 14455.0904 239.5173 -203773.8716 2852.3059 0.0000 0.0000 52181.6437 -109725.9555 299.8886 -161907.5992 -109353.0473 298.9871 255.8858 285.3562 760343.4897 -5.8826 -5.8187 PRESSURE: 3437000 51.2141 158.454 164.146 158.453 354.73 36.1148 164.146 36.1163 -564.069 GPRESSURE: 3437000 190.252 57.113 206.375 133.59 278.315 86.3954 179.621 15.1011 -535.463 PRESSAVG: 3437000 -15.1086 52.9269 42.8001 52.927 16.567 -32.4652 42.8001 -32.4651 3.91102 GPRESSAVG: 3437000 -14.6585 53.0318 43.4647 53.964 16.4064 -33.3934 44.2374 -31.2313 3.96082 TIMING: 3437000 CPU: 10862, 0.00314066/step Wall: 10862, 0.00314067/step, 1.36357 hours remaining, 240.484375 MB of memory in use. ENERGY: 3437000 3948.5193 20458.3134 14443.9686 246.6164 -203627.4094 2581.7937 0.0000 0.0000 52267.6117 -109680.5863 300.3827 -161948.1980 -109309.6749 298.7748 -52.7083 -22.2987 760034.6525 1.7898 1.9029 PRESSURE: 3437200 194.919 279.114 143.714 279.113 -4.51678 -197.624 143.714 -197.623 -407.202 GPRESSURE: 3437200 218.432 235.288 93.1995 210.382 21.7792 -222.835 41.1957 -292.889 -372.885 PRESSAVG: 3437200 22.9168 13.9951 66.4904 13.9951 -82.5392 -41.4287 66.4903 -41.4286 20.0249 GPRESSAVG: 3437200 23.9791 13.0281 66.5069 15.6754 -82.6445 -41.8207 64.7657 -42.3185 19.5716 TIMING: 3437200 CPU: 10862.6, 0.00314829/step Wall: 10862.6, 0.00314829/step, 1.36671 hours remaining, 240.484375 MB of memory in use. ENERGY: 3437200 4053.9203 20530.5777 14432.2091 279.5724 -203536.7296 2647.3775 0.0000 0.0000 52066.2880 -109526.7847 299.2257 -161593.0727 -109158.8809 298.7946 -72.2666 -44.2247 760526.7324 -13.1992 -13.0313 PRESSURE: 3437400 85.5853 -79.3056 126.067 -79.3053 166.571 38.1467 126.067 38.1456 -164.889 GPRESSURE: 3437400 129.272 -128.685 158.351 -65.4346 190.166 91.8467 52.2324 140.621 -151.341 PRESSAVG: 3437400 19.3235 29.8717 26.5863 29.8717 -10.8881 -38.3723 26.5864 -38.3723 1.65233 GPRESSAVG: 3437400 17.1842 29.3822 27.8029 29.3575 -9.71213 -38.9287 26.7075 -38.4852 3.15839 TIMING: 3437400 CPU: 10863.3, 0.0031894/step Wall: 10863.3, 0.0031894/step, 1.38438 hours remaining, 240.484375 MB of memory in use. ENERGY: 3437400 3944.5030 20515.7350 14475.9537 252.8251 -203161.9035 2385.4167 0.0000 0.0000 51980.0718 -109607.3983 298.7302 -161587.4701 -109239.1876 299.1714 29.0893 56.0322 759309.2088 3.3626 3.5435 PRESSURE: 3437600 -191.827 39.9627 -266.028 39.9624 -178.545 -209.713 -266.028 -209.714 -318.242 GPRESSURE: 3437600 -126.314 75.7501 -164.037 5.93937 -184.353 -174.318 -236.076 -271.83 -304.757 PRESSAVG: 3437600 8.27069 11.8521 32.6539 11.852 -18.4164 -0.334939 32.654 -0.334986 -19.243 GPRESSAVG: 3437600 9.22517 12.4555 31.8722 11.1616 -18.0897 0.248231 34.5447 1.02275 -20.5632 TIMING: 3437600 CPU: 10863.9, 0.00315996/step Wall: 10863.9, 0.00315996/step, 1.37142 hours remaining, 240.484375 MB of memory in use. ENERGY: 3437600 3893.4977 20381.1132 14508.4412 235.9323 -203408.2235 2393.0119 0.0000 0.0000 52209.8043 -109786.4228 300.0505 -161996.2271 -109425.2240 298.6290 -229.5383 -205.1414 761191.4105 -9.7962 -9.8093 PRESSURE: 3437800 -0.984775 -160.35 -20.8166 -160.351 -126.505 -90.1619 -20.8164 -90.1609 -53.0002 GPRESSURE: 3437800 20.3606 -170.547 -22.0009 -151.724 -178.963 -68.4657 140.323 -12.535 54.4424 PRESSAVG: 3437800 95.8852 -39.0277 47.1524 -39.0276 -73.1059 32.5208 47.1524 32.5208 6.39565 GPRESSAVG: 3437800 96.2119 -38.2877 47.83 -39.4394 -74.0908 34.6206 45.5403 30.2005 7.54318 TIMING: 3437800 CPU: 10864.5, 0.00314424/step Wall: 10864.5, 0.00314424/step, 1.36443 hours remaining, 240.484375 MB of memory in use. ENERGY: 3437800 3930.1073 20297.3054 14525.2240 261.2822 -203336.8437 2583.6618 0.0000 0.0000 52044.3622 -109694.9008 299.0997 -161739.2630 -109319.1707 298.5762 -60.1633 -34.7200 762068.7932 9.7250 9.8881 PRESSURE: 3438000 -227.898 56.4228 100.878 56.4238 181.528 -10.5543 100.879 -10.5539 -64.4289 GPRESSURE: 3438000 -143.503 -64.6584 41.8023 191.424 134.318 -145.81 -5.01261 -49.3161 -11.4484 PRESSAVG: 3438000 -0.251415 -16.1174 36.5526 -16.1174 -16.8745 -20.5949 36.5525 -20.5949 12.0877 GPRESSAVG: 3438000 0.370815 -17.1279 35.2729 -14.0797 -16.9538 -23.2914 35.3003 -17.4394 11.0812 TIMING: 3438000 CPU: 10865.2, 0.0031556/step Wall: 10865.2, 0.0031556/step, 1.36918 hours remaining, 240.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3438000 3967.6695 20613.0659 14468.7100 235.9824 -203509.3523 2568.7037 0.0000 0.0000 51916.3788 -109738.8421 298.3641 -161655.2209 -109375.5203 298.6341 -36.9328 -6.8780 762491.9739 -1.6794 -1.8339 PRESSURE: 3438200 -81.0465 206.644 178.247 206.644 121.547 10.8985 178.247 10.8965 -209.196 GPRESSURE: 3438200 -117.658 273.975 211.861 196.271 221.001 -32.0716 144.479 34.9306 -185.354 PRESSAVG: 3438200 -61.5364 24.7295 70.1295 24.7296 76.8562 -61.4331 70.1296 -61.4331 18.7857 GPRESSAVG: 3438200 -62.3063 25.1436 71.7148 24.4404 76.7304 -61.6563 72.7369 -61.5328 20.0769 TIMING: 3438200 CPU: 10865.8, 0.00316183/step Wall: 10865.8, 0.00316183/step, 1.37171 hours remaining, 240.484375 MB of memory in use. ENERGY: 3438200 3900.7988 20473.1754 14505.2210 254.9957 -203383.2431 2427.0180 0.0000 0.0000 52158.8046 -109663.2296 299.7574 -161822.0342 -109285.9924 298.6007 -56.2318 -27.3371 761037.2548 11.3685 11.5003 PRESSURE: 3438400 -106.802 -81.642 189.67 -81.6422 -232.185 -18.0715 189.671 -18.0716 -225.977 GPRESSURE: 3438400 47.5797 -104.488 167.28 -85.446 -260.083 -37.5611 152.005 -33.9938 -254.567 PRESSAVG: 3438400 14.1004 47.856 32.5511 47.856 8.80723 6.43502 32.5512 6.43506 -11.3148 GPRESSAVG: 3438400 14.4684 46.8066 33.5069 46.5032 9.77582 5.93161 30.5885 5.37544 -12.788 TIMING: 3438400 CPU: 10866.4, 0.00315128/step Wall: 10866.4, 0.00315128/step, 1.36696 hours remaining, 240.484375 MB of memory in use. ENERGY: 3438400 4006.7722 20506.9593 14505.2432 244.3262 -203591.8272 2646.7517 0.0000 0.0000 52189.3204 -109492.4542 299.9327 -161681.7746 -109144.1819 298.8094 -188.3210 -155.6901 760468.3989 3.8643 3.8187 PRESSURE: 3438600 388.339 37.4919 -5.23611 37.4921 49.5377 -137.588 -5.23612 -137.587 129.36 GPRESSURE: 3438600 355.665 -17.914 10.8215 32.51 145.886 -81.9934 101.426 -92.8593 144.264 PRESSAVG: 3438600 -9.63516 -25.3454 -5.87583 -25.3454 -17.0418 -41.3331 -5.87579 -41.3332 1.30822 GPRESSAVG: 3438600 -9.86445 -25.2802 -6.78684 -26.6757 -18.1059 -40.9908 -5.27124 -40.1663 2.53348 TIMING: 3438600 CPU: 10867.1, 0.00317091/step Wall: 10867.1, 0.00317091/step, 1.3753 hours remaining, 240.484375 MB of memory in use. ENERGY: 3438600 4038.6317 20526.2905 14418.2187 243.0154 -203644.2826 2858.0899 0.0000 0.0000 52071.6941 -109488.3423 299.2567 -161560.0365 -109122.2163 298.9916 189.0788 215.2716 761593.1882 -8.4563 -8.4789 PRESSURE: 3438800 -245.919 -2.5862 -190.67 -2.58617 0.575648 181.066 -190.67 181.066 219.212 GPRESSURE: 3438800 -150.845 17.9113 -215.897 -11.3627 -45.9696 170.406 -208.265 165.977 257.795 PRESSAVG: 3438800 -0.874821 11.7659 72.7627 11.7659 -26.2215 21.9634 72.7627 21.9634 5.46662 GPRESSAVG: 3438800 0.592544 10.7896 71.1316 15.7403 -26.9131 20.8065 74.4613 21.4839 5.29632 TIMING: 3438800 CPU: 10867.7, 0.00314494/step Wall: 10867.7, 0.00314494/step, 1.36385 hours remaining, 240.484375 MB of memory in use. ENERGY: 3438800 3981.8073 20396.8361 14380.4189 234.8306 -203243.3145 2517.7305 0.0000 0.0000 52037.6609 -109694.0301 299.0612 -161731.6910 -109330.7565 299.1788 -8.7104 20.3270 762641.7171 -7.2099 -7.0081 PRESSURE: 3439000 80.8322 -25.3689 -207.091 -25.3692 126.833 41.4459 -207.092 41.4454 -208.586 GPRESSURE: 3439000 98.2614 -134.439 -105.054 -218.891 180.378 75.6208 -200.809 24.2602 -198.151 PRESSAVG: 3439000 8.21026 -4.70067 26.9345 -4.70066 47.0159 28.2482 26.9345 28.2482 3.37751 GPRESSAVG: 3439000 6.88347 -3.13296 27.3654 -8.33336 47.9114 30.2752 25.2464 26.8363 3.27894 TIMING: 3439000 CPU: 10868.3, 0.00315629/step Wall: 10868.3, 0.00315629/step, 1.3686 hours remaining, 240.484375 MB of memory in use. ENERGY: 3439000 4002.8399 20472.8493 14458.1535 253.9759 -203460.7073 2562.1950 0.0000 0.0000 52115.6205 -109595.0731 299.5092 -161710.6936 -109218.7159 298.9948 -0.3067 26.8297 761164.7591 19.5346 19.3579 PRESSURE: 3439200 -144.007 -55.5916 60.5548 -55.5913 -180.489 232.823 60.5551 232.823 395.304 GPRESSURE: 3439200 -126.913 -55.944 53.4779 -20.1105 -139.794 184.297 49.7994 28.9223 420.891 PRESSAVG: 3439200 -1.15904 -29.486 10.1706 -29.486 -37.0874 -19.299 10.1706 -19.299 -10.549 GPRESSAVG: 3439200 -0.626577 -30.3136 10.2606 -27.0912 -37.431 -20.908 12.8718 -17.5873 -10.9107 TIMING: 3439200 CPU: 10868.9, 0.00314944/step Wall: 10868.9, 0.00314944/step, 1.36546 hours remaining, 240.484375 MB of memory in use. ENERGY: 3439200 4011.4702 20423.5989 14376.6203 251.3256 -203082.2292 2457.3190 0.0000 0.0000 51866.5664 -109695.3288 298.0779 -161561.8952 -109335.5505 298.8897 23.6028 51.3948 763522.4245 -16.2652 -16.3228 PRESSURE: 3439400 -72.6206 86.7571 145.894 86.7585 -96.2023 -182.467 145.894 -182.466 -212.398 GPRESSURE: 3439400 -53.3032 108.541 47.4322 104.448 -19.518 -223.25 164.146 -145.934 -222.183 PRESSAVG: 3439400 77.5497 -23.9125 20.0789 -23.9126 -24.453 26.7779 20.0789 26.778 -4.38955 GPRESSAVG: 3439400 75.9632 -22.7795 19.5025 -24.8267 -22.5553 25.1077 18.8455 26.7118 -4.36442 TIMING: 3439400 CPU: 10869.6, 0.003137/step Wall: 10869.6, 0.003137/step, 1.35989 hours remaining, 240.484375 MB of memory in use. ENERGY: 3439400 4024.1354 20494.3687 14416.2659 253.7100 -203270.5122 2339.0364 0.0000 0.0000 52124.5575 -109618.4384 299.5605 -161742.9959 -109246.8075 298.9522 -127.0737 -98.3347 761250.7525 16.2357 16.3478 PRESSURE: 3439600 67.3925 -38.4419 237.415 -38.4411 -181.082 -132.424 237.414 -132.425 69.4444 GPRESSURE: 3439600 27.6252 -37.8041 229.284 6.19507 -73.7763 -116.495 220.431 -60.2705 85.8475 PRESSAVG: 3439600 -2.40277 18.3205 30.5346 18.3205 -23.4291 -12.1921 30.5346 -12.1921 -9.66169 GPRESSAVG: 3439600 -1.05905 16.6264 29.8991 19.1098 -25.134 -10.2848 29.1794 -11.793 -9.10389 TIMING: 3439600 CPU: 10870.2, 0.00314177/step Wall: 10870.2, 0.00314177/step, 1.36178 hours remaining, 240.484375 MB of memory in use. ENERGY: 3439600 4014.9693 20294.0498 14366.1102 234.3629 -203525.7138 2843.1442 0.0000 0.0000 52247.7787 -109525.2987 300.2687 -161773.0774 -109163.8170 298.7988 -14.7485 13.2321 762700.7872 -11.8312 -11.7657 PRESSURE: 3439800 -114.688 213.779 19.5952 213.779 -162.773 -192.223 19.5953 -192.224 -90.6597 GPRESSURE: 3439800 -22.0721 189.78 84.5548 159.473 -228.96 -225.315 63.6118 -255.233 -35.7692 PRESSAVG: 3439800 -6.64062 27.1365 62.5253 27.1366 20.0838 15.0792 62.5253 15.0792 3.61806 GPRESSAVG: 3439800 -6.21067 29.4211 62.5565 25.8748 19.7069 16.039 65.1926 14.0505 4.07254 TIMING: 3439800 CPU: 10870.8, 0.00313969/step Wall: 10870.8, 0.00313969/step, 1.36071 hours remaining, 240.484375 MB of memory in use. ENERGY: 3439800 4109.6808 20449.6763 14364.1901 248.7377 -203196.0346 2545.9758 0.0000 0.0000 51953.9727 -109523.8011 298.5802 -161477.7739 -109165.8568 298.7938 -122.7068 -95.6003 761877.7711 5.6871 5.8563 PRESSURE: 3440000 106.584 32.1758 19.0841 32.176 -78.5529 -211.986 19.0836 -211.986 507.65 GPRESSURE: 3440000 66.3019 -17.6843 -17.5658 -133.733 0.769388 -131.06 -93.0043 -232.428 561.474 PRESSAVG: 3440000 18.4675 43.2212 60.4362 43.2212 -15.0218 -6.72816 60.4361 -6.72813 10.7366 GPRESSAVG: 3440000 18.5204 41.3588 59.6632 42.907 -14.7771 -7.69009 58.111 -4.70016 10.5433 TIMING: 3440000 CPU: 10871.5, 0.00314776/step Wall: 10871.5, 0.00314776/step, 1.36403 hours remaining, 240.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3440000 4019.9711 20456.9001 14431.0117 258.7884 -203584.1838 2678.9783 0.0000 0.0000 52181.7723 -109556.7618 299.8894 -161738.5341 -109205.7497 298.6493 178.5602 209.5150 760550.9654 4.7274 4.7622 PRESSURE: 3440200 -390.72 28.0042 37.15 28.0054 -278.918 -128.228 37.1507 -128.228 91.9522 GPRESSURE: 3440200 -342.811 25.5111 120.907 32.6638 -322.617 -155.178 38.7937 -85.5435 150.351 PRESSAVG: 3440200 -7.26579 -44.1676 24.2445 -44.1676 -26.2125 -29.8245 24.2445 -29.8244 3.74015 GPRESSAVG: 3440200 -7.02923 -41.1102 26.4137 -43.939 -26.338 -30.5606 24.3004 -30.5326 3.87067 TIMING: 3440200 CPU: 10872.1, 0.00315027/step Wall: 10872.1, 0.00315027/step, 1.36494 hours remaining, 240.484375 MB of memory in use. ENERGY: 3440200 4036.0857 20403.0937 14468.3188 237.2752 -203158.6446 2631.0115 0.0000 0.0000 51893.8224 -109489.0375 298.2345 -161382.8598 -109127.0048 299.0842 -192.5619 -171.6923 762397.3264 -9.9127 -9.8322 LDB: ============= START OF LOAD BALANCING ============== 10884.5 LDB: ============== END OF LOAD BALANCING =============== 10884.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10884.5 LDB: ============= START OF LOAD BALANCING ============== 10884.8 LDB: Largest compute 7033 load 0.031849 is 16.2% of average load 0.196020 LDB: Average compute 0.004395 is 2.2% of average load 0.196020 LDB: TIME 10884.8 LOAD: AVG 0.19602 MAX 0.216114 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.602 MB LDB: TIME 10884.8 LOAD: AVG 0.19602 MAX 0.216114 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.602 MB LDB: TIME 10884.8 LOAD: AVG 0.19602 MAX 0.216114 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.602 MB LDB: ============== END OF LOAD BALANCING =============== 10884.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10884.8 PRESSURE: 3440400 44.5556 -25.09 -271.742 -25.0902 -6.96965 132.91 -271.741 132.91 256.167 GPRESSURE: 3440400 117.717 -106.448 -326.46 -68.9403 -20.5344 111.525 -232.248 64.8573 282.576 PRESSAVG: 3440400 -21.1521 -36.0119 -2.3088 -36.0119 3.25101 -12.2769 -2.30882 -12.277 -11.0119 GPRESSAVG: 3440400 -21.5187 -38.2122 -4.24395 -37.0133 3.66994 -10.1641 -1.01501 -14.5862 -11.3512 TIMING: 3440400 CPU: 10872.7, 0.0032301/step Wall: 10872.7, 0.0032301/step, 1.39935 hours remaining, 239.171875 MB of memory in use. ENERGY: 3440400 3951.8266 20335.1036 14468.1980 218.2779 -203406.4315 2736.4744 0.0000 0.0000 52056.6957 -109639.8553 299.1705 -161696.5510 -109285.2876 299.0826 97.9176 126.5860 761321.4965 -9.6376 -9.7333 PRESSURE: 3440600 -39.5225 -29.1074 -117.798 -29.1069 286.106 -18.3228 -117.798 -18.3216 -13.7846 GPRESSURE: 3440600 -9.37612 -74.1933 -120.059 -31.2138 359.397 -130.121 -77.0424 26.9722 -53.1441 PRESSAVG: 3440600 -9.77859 -19.4757 -17.5351 -19.4758 -7.20025 22.1784 -17.5351 22.1784 2.90659 GPRESSAVG: 3440600 -10.9427 -19.1996 -16.2544 -17.5901 -5.6081 21.864 -18.2941 21.5285 2.3656 TIMING: 3440600 CPU: 10873.4, 0.00316647/step Wall: 10873.4, 0.00316647/step, 1.37161 hours remaining, 239.375000 MB of memory in use. ENERGY: 3440600 3980.7963 20615.5763 14509.8293 246.4757 -202973.9594 2586.8521 0.0000 0.0000 51748.9375 -109285.4922 297.4019 -161034.4296 -108934.2019 299.1807 77.5996 98.9590 761937.0565 -4.6907 -4.7284 PRESSURE: 3440800 -201.459 123.894 -1.62313 123.894 -23.6743 -114.904 -1.62383 -114.902 202.002 GPRESSURE: 3440800 -91.7801 129.299 9.59679 83.4062 -50.9332 -47.8217 49.1497 -58.0476 197.497 PRESSAVG: 3440800 -11.0147 -36.8125 -6.8088 -36.8125 13.2239 -35.1102 -6.80887 -35.1102 -10.399 GPRESSAVG: 3440800 -9.59258 -36.7527 -7.58397 -37.3923 11.0946 -34.2447 -5.90257 -33.8369 -9.73754 TIMING: 3440800 CPU: 10874, 0.00319971/step Wall: 10874, 0.00319971/step, 1.38583 hours remaining, 239.375000 MB of memory in use. ENERGY: 3440800 3981.3438 20337.9441 14494.2502 246.6380 -203069.6237 2498.2330 0.0000 0.0000 52185.3400 -109325.8746 299.9099 -161511.2147 -108952.2060 299.9813 -7.7106 18.2613 761916.1735 -2.7299 -2.7452 PRESSURE: 3441000 -11.8708 159.107 41.0353 159.107 66.7893 76.7124 41.0365 76.7111 43.2016 GPRESSURE: 3441000 105.621 246.227 7.46343 241.449 25.6501 52.5837 -1.20858 78.8803 59.2264 PRESSAVG: 3441000 -1.59065 0.474343 31.7359 0.474268 26.2927 -1.47849 31.7359 -1.47847 4.95733 GPRESSAVG: 3441000 -2.37803 -0.680674 31.3686 0.47037 27.3083 -1.42443 29.9424 -2.39845 4.75185 TIMING: 3441000 CPU: 10874.6, 0.00315307/step Wall: 10874.6, 0.00315307/step, 1.36545 hours remaining, 239.375000 MB of memory in use. ENERGY: 3441000 3940.1645 20447.7387 14389.8909 256.3070 -202711.1653 2402.0747 0.0000 0.0000 52226.3869 -109048.6026 300.1458 -161274.9895 -108680.2861 300.0405 32.7067 63.4991 761438.9488 9.8865 9.8940 PRESSURE: 3441200 -103.934 72.9849 78.6307 72.9861 -93.1789 -123.902 78.6313 -123.901 166.152 GPRESSURE: 3441200 -61.7685 123.838 41.5475 49.9801 -62.0332 -105.47 58.3788 -43.0303 177.721 PRESSAVG: 3441200 11.1299 -22.3783 0.887634 -22.3783 -20.9715 -13.3975 0.887674 -13.3975 33.9824 GPRESSAVG: 3441200 11.4068 -20.5982 1.56115 -23.4802 -21.4569 -13.5031 1.40995 -12.762 34.2457 TIMING: 3441200 CPU: 10875.3, 0.00316317/step Wall: 10875.3, 0.00316317/step, 1.36965 hours remaining, 239.375000 MB of memory in use. ENERGY: 3441200 3929.9704 20537.2663 14476.4135 243.7529 -202740.1853 2451.2412 0.0000 0.0000 51944.9653 -109156.5756 298.5284 -161101.5410 -108787.7356 299.7621 -10.3203 17.9731 762186.4248 8.0469 8.0652 PRESSURE: 3441400 67.9875 78.5755 129.344 78.5754 105.263 35.1617 129.344 35.1622 318.84 GPRESSURE: 3441400 81.2953 58.2951 222.036 134.613 160.105 122.659 -4.68596 -221.261 352.57 PRESSAVG: 3441400 -25.376 -22.1571 -22.8628 -22.1571 -20.2767 -57.8212 -22.8628 -57.8212 -4.21639 GPRESSAVG: 3441400 -24.6161 -21.5008 -22.6688 -21.6821 -20.8348 -58.6054 -21.8231 -58.6499 -4.29735 TIMING: 3441400 CPU: 10875.9, 0.00316352/step Wall: 10875.9, 0.00316352/step, 1.36963 hours remaining, 239.375000 MB of memory in use. ENERGY: 3441400 3929.5084 20641.5258 14436.7660 244.1661 -203051.6472 2462.4015 0.0000 0.0000 52204.4535 -109132.8259 300.0197 -161337.2794 -108767.1833 299.3942 164.0302 197.9900 760315.7365 -16.6230 -16.5827 PRESSURE: 3441600 73.3277 81.4927 80.08 81.4936 -307.757 93.8514 80.0799 93.852 -512.866 GPRESSURE: 3441600 54.5342 152.132 145.136 -43.0124 -190.638 123.397 78.1164 -1.4452 -532.579 PRESSAVG: 3441600 -15.8084 -18.4573 5.54887 -18.4573 -2.58174 51.5146 5.54892 51.5146 -11.0034 GPRESSAVG: 3441600 -15.8176 -21.389 5.89494 -17.0749 -1.77287 49.7255 6.31631 51.7615 -11.6089 TIMING: 3441600 CPU: 10876.5, 0.00315341/step Wall: 10876.5, 0.00315341/step, 1.36508 hours remaining, 239.375000 MB of memory in use. ENERGY: 3441600 4013.2067 20525.5545 14422.3108 248.3235 -203422.5550 2693.7338 0.0000 0.0000 52259.9089 -109259.5168 300.3384 -161519.4257 -108892.8263 299.7158 -249.0984 -222.8943 762686.2787 -9.7978 -9.7331 PRESSURE: 3441800 -262.462 -133.348 311.74 -133.349 -424.34 98.8593 311.739 98.8596 -5.75497 GPRESSURE: 3441800 -225.753 -135.624 397.124 -24.1675 -348.031 75.0039 318.946 141.915 -36.7993 PRESSAVG: 3441800 47.6294 -34.9472 11.516 -34.9472 -79.2135 0.336965 11.516 0.336883 0.0848404 GPRESSAVG: 3441800 46.8494 -34.2546 11.4054 -35.0976 -79.7233 0.119771 11.7647 0.855876 1.42568 TIMING: 3441800 CPU: 10877.2, 0.00318152/step Wall: 10877.2, 0.00318152/step, 1.37707 hours remaining, 239.375000 MB of memory in use. ENERGY: 3441800 3982.1295 20516.2561 14388.0976 242.0812 -203255.0607 2544.7495 0.0000 0.0000 52335.8965 -109245.8503 300.7751 -161581.7469 -108873.2745 299.7389 -230.8524 -203.5279 761045.8605 -10.4997 -10.4828 PRESSURE: 3442000 -216.728 102.475 -188.737 102.475 9.35257 -70.7305 -188.738 -70.7294 -400.573 GPRESSURE: 3442000 -219.591 88.424 -82.2486 73.1619 0.700966 -85.1028 -236.697 -150.409 -310.623 PRESSAVG: 3442000 44.5047 -19.7028 -9.5405 -19.7029 8.33269 -10.5917 -9.54044 -10.5917 18.9484 GPRESSAVG: 3442000 44.2763 -18.4451 -7.97983 -21.5789 7.20603 -9.46097 -11.0885 -10.7036 20.0256 TIMING: 3442000 CPU: 10877.8, 0.0031776/step Wall: 10877.8, 0.0031776/step, 1.3752 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3442000 3995.8056 20509.1127 14391.8282 245.6123 -203356.5919 2538.6596 0.0000 0.0000 52323.7052 -109351.8683 300.7051 -161675.5735 -108987.3603 300.1196 -202.6494 -176.5043 761075.3167 23.9286 23.8360 PRESSURE: 3442200 252.054 61.5551 -150.414 61.5556 151.401 65.3061 -150.414 65.306 -381.941 GPRESSURE: 3442200 313.397 -62.4334 -238.338 -110.143 109.175 75.5926 -65.8633 -6.1434 -329.034 PRESSAVG: 3442200 -35.1415 21.2022 -49.7778 21.2023 -8.99377 -34.133 -49.7778 -34.133 -9.74791 GPRESSAVG: 3442200 -34.3218 23.2522 -51.2313 19.8029 -8.70296 -33.9056 -48.0806 -33.3207 -10.932 TIMING: 3442200 CPU: 10878.4, 0.00315288/step Wall: 10878.4, 0.00315287/step, 1.36432 hours remaining, 239.375000 MB of memory in use. ENERGY: 3442200 3887.8763 20550.5399 14505.5875 250.0815 -203503.7336 2691.8173 0.0000 0.0000 52133.0133 -109484.8178 299.6091 -161617.8311 -109119.4702 299.4467 7.1713 31.1792 760539.4268 -17.9611 -17.9856 PRESSURE: 3442400 -222.715 66.9245 -27.1624 66.9244 -1.92816 111.398 -27.1623 111.397 180.853 GPRESSURE: 3442400 -202.607 133.538 11.2951 86.5905 76.1785 115.577 -76.6745 102.685 181.369 PRESSAVG: 3442400 -8.85968 -2.45349 47.4589 -2.45346 5.517 -81.1606 47.4589 -81.1608 3.69686 GPRESSAVG: 3442400 -8.93571 -3.14432 47.4678 -0.343533 6.14243 -81.3012 47.4903 -83.3388 2.79116 TIMING: 3442400 CPU: 10879.1, 0.00320205/step Wall: 10879.1, 0.00320205/step, 1.38542 hours remaining, 239.375000 MB of memory in use. ENERGY: 3442400 4000.4925 20554.4810 14362.2678 253.6979 -203392.2802 2554.3154 0.0000 0.0000 52151.0502 -109515.9754 299.7128 -161667.0256 -109150.8092 299.2294 -14.5966 18.3134 763621.8950 0.1181 -0.0007 PRESSURE: 3442600 166.726 67.6283 -228.15 67.6287 153.955 116.366 -228.15 116.366 -295.596 GPRESSURE: 3442600 175.801 64.696 -159.211 61.5025 173.373 113.069 -141.496 177.974 -227.803 PRESSAVG: 3442600 -69.4675 32.9306 14.653 32.9306 65.0845 -65.8533 14.653 -65.8533 2.55891 GPRESSAVG: 3442600 -69.7516 31.2471 14.3262 34.6368 64.6719 -65.3863 14.6339 -63.988 2.49558 TIMING: 3442600 CPU: 10879.7, 0.00319067/step Wall: 10879.7, 0.00319067/step, 1.38032 hours remaining, 239.375000 MB of memory in use. ENERGY: 3442600 3985.7920 20540.9508 14500.6755 241.5810 -203755.0734 2736.1705 0.0000 0.0000 52295.2853 -109454.6182 300.5417 -161749.9036 -109093.2308 299.3216 8.3617 40.4569 762316.7165 -0.6080 -0.8614 PRESSURE: 3442800 -0.941268 107.71 -84.1021 107.709 -79.4291 50.6454 -84.1022 50.6454 -70.217 GPRESSURE: 3442800 53.3041 75.7264 -26.3787 99.0046 23.9235 65.3183 -119.272 6.14141 -155.228 PRESSAVG: 3442800 10.0214 33.5519 -37.2596 33.5519 -31.8377 -23.4043 -37.2595 -23.4043 -9.89246 GPRESSAVG: 3442800 9.69242 34.4986 -37.1523 32.1808 -31.7376 -23.0013 -35.387 -22.4906 -10.2419 TIMING: 3442800 CPU: 10880.3, 0.00317245/step Wall: 10880.3, 0.00317245/step, 1.37226 hours remaining, 239.375000 MB of memory in use. ENERGY: 3442800 3896.0959 20403.8783 14483.2199 243.9393 -202951.0869 2529.7186 0.0000 0.0000 52177.7407 -109216.4941 299.8662 -161394.2348 -108851.9452 299.2811 -50.1958 -26.0000 763113.3577 -10.5696 -10.7624 PRESSURE: 3443000 -304.192 40.4389 -153.777 40.439 -18.4042 -334.435 -153.777 -334.434 -319.097 GPRESSURE: 3443000 -319.539 47.8828 -177.069 97.5563 11.4635 -318.419 -113.707 -309.188 -273.388 PRESSAVG: 3443000 39.7686 -21.5387 -24.9854 -21.5387 -26.0728 -15.0845 -24.9855 -15.0845 -8.58999 GPRESSAVG: 3443000 38.9153 -21.8484 -25.489 -22.11 -25.8501 -13.1967 -26.9264 -18.4656 -7.98329 TIMING: 3443000 CPU: 10881, 0.00316534/step Wall: 10881, 0.00316534/step, 1.36901 hours remaining, 239.375000 MB of memory in use. ENERGY: 3443000 3974.5890 20619.0125 14457.5478 255.0135 -203330.3583 2480.4127 0.0000 0.0000 52229.1260 -109314.6568 300.1615 -161543.7829 -108943.1251 299.3808 -213.8977 -193.8210 763159.8038 1.7019 1.6940 PRESSURE: 3443200 -143.323 50.046 -30.5327 50.0457 391.453 138.953 -30.5331 138.954 81.7496 GPRESSURE: 3443200 -102.577 117.58 -103.408 29.0815 438.121 180.467 -80.2285 131.555 68.0765 PRESSAVG: 3443200 7.79556 -22.6433 -30.5546 -22.6434 54.8943 -18.6892 -30.5546 -18.6892 3.49577 GPRESSAVG: 3443200 8.30056 -22.0458 -32.3266 -21.4888 55.2351 -21.9791 -29.6381 -17.4184 2.81304 TIMING: 3443200 CPU: 10881.6, 0.00316167/step Wall: 10881.6, 0.00316167/step, 1.36725 hours remaining, 239.375000 MB of memory in use. ENERGY: 3443200 3974.6677 20549.9840 14486.3206 242.9560 -203301.8000 2499.3477 0.0000 0.0000 52170.6027 -109377.9213 299.8252 -161548.5240 -109014.9946 298.7925 109.9601 134.5399 761044.9696 22.0619 22.1162 PRESSURE: 3443400 -200.746 46.814 336.823 46.8139 -361.488 261.042 336.823 261.043 252.459 GPRESSURE: 3443400 -192.081 -25.1187 337.981 41.1023 -309.297 148.76 225.407 182.167 272.604 PRESSAVG: 3443400 -98.8319 -42.5948 13.2062 -42.5948 41.6808 38.7009 13.2061 38.7009 -6.23033 GPRESSAVG: 3443400 -98.7335 -43.9976 15.4758 -42.85 40.0773 38.9385 13.3198 39.4296 -5.48888 TIMING: 3443400 CPU: 10882.2, 0.00315744/step Wall: 10882.2, 0.00315744/step, 1.36524 hours remaining, 239.375000 MB of memory in use. ENERGY: 3443400 4048.4255 20533.7925 14474.5018 241.4006 -203244.9308 2616.0606 0.0000 0.0000 52048.7345 -109282.0153 299.1248 -161330.7497 -108929.4532 299.2582 -103.2583 -76.2578 762405.3333 -21.1271 -21.3817 PRESSURE: 3443600 71.467 87.9856 -36.8735 87.9859 205.495 -135.225 -36.8741 -135.225 20.2909 GPRESSURE: 3443600 60.7692 69.7842 -131.58 95.2838 343.587 -152.672 -10.874 -73.788 -24.1244 PRESSAVG: 3443600 -85.8241 7.593 6.98193 7.5931 62.4045 -61.6754 6.98196 -61.6753 2.83946 GPRESSAVG: 3443600 -87.5229 9.46779 6.86598 6.06971 64.2157 -61.0168 5.85834 -63.1803 3.24219 TIMING: 3443600 CPU: 10882.9, 0.00314678/step Wall: 10882.9, 0.00314678/step, 1.36046 hours remaining, 239.375000 MB of memory in use. ENERGY: 3443600 4027.3382 20463.8717 14463.2441 252.4266 -203197.7118 2775.9166 0.0000 0.0000 52075.7192 -109139.1955 299.2799 -161214.9146 -108787.0054 299.7007 99.0843 126.7440 762461.3516 -6.8601 -6.6884 PRESSURE: 3443800 208.246 -0.28506 49.7681 -0.285722 -196.058 -224.613 49.7682 -224.614 -63.7973 GPRESSURE: 3443800 179.258 -28.1155 97.0106 20.8402 -63.8605 -271.783 101.218 -102.539 -98.06 PRESSAVG: 3443800 -33.0073 22.0551 4.46693 22.0551 -0.187281 -15.164 4.46691 -15.164 9.98713 GPRESSAVG: 3443800 -31.383 20.0167 5.86134 25.1614 -0.720395 -15.1519 3.16888 -10.9101 9.15427 TIMING: 3443800 CPU: 10883.5, 0.00316698/step Wall: 10883.5, 0.00316698/step, 1.36901 hours remaining, 239.375000 MB of memory in use. ENERGY: 3443800 4005.5764 20572.7128 14399.9790 240.1994 -203486.8123 2816.9643 0.0000 0.0000 52039.0066 -109412.3738 299.0689 -161451.3804 -109046.3653 299.6413 -17.2031 5.7793 760988.5071 -7.7358 -7.6497 PRESSURE: 3444000 -333.027 -48.6106 11.7261 -48.6111 -335.3 126.931 11.7265 126.932 73.2203 GPRESSURE: 3444000 -257.299 -11.4732 -55.4322 7.37445 -321.649 131.401 -38.8613 127.144 58.7953 PRESSAVG: 3444000 -35.905 -1.1675 8.94465 -1.1675 17.6204 -46.4988 8.94464 -46.4988 -2.90296 GPRESSAVG: 3444000 -36.419 -0.188048 7.81907 -4.32033 16.9474 -46.2234 9.37959 -49.0576 -1.76605 TIMING: 3444000 CPU: 10884.1, 0.0031822/step Wall: 10884.1, 0.0031822/step, 1.37542 hours remaining, 239.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3444000 4068.0609 20502.4645 14403.9064 258.5889 -203376.8666 2588.2186 0.0000 0.0000 52174.8283 -109380.7990 299.8495 -161555.6273 -109019.1605 299.8845 -198.3690 -173.3843 761759.2841 -7.0625 -7.0792 PRESSURE: 3444200 -214.216 -126.666 40.2018 -126.665 80.9242 118.814 40.2015 118.814 263.192 GPRESSURE: 3444200 -124.652 -52.7076 75.7562 -146.067 64.7328 1.3225 -70.7583 87.6718 273.979 PRESSAVG: 3444200 -46.2801 -70.4189 -10.37 -70.4189 47.0815 10.4779 -10.37 10.478 5.95823 GPRESSAVG: 3444200 -46.6667 -71.0526 -10.5293 -69.2264 47.3204 9.89537 -11.7407 9.91863 5.52877 TIMING: 3444200 CPU: 10884.8, 0.00317273/step Wall: 10884.8, 0.00317273/step, 1.37115 hours remaining, 239.375000 MB of memory in use. ENERGY: 3444200 3951.6998 20550.9967 14316.2198 248.3242 -202990.0031 2430.2289 0.0000 0.0000 52266.2036 -109226.3301 300.3746 -161492.5337 -108850.8189 299.6933 43.3003 71.3530 761806.9062 2.2532 2.0608 LDB: ============= START OF LOAD BALANCING ============== 10897.2 LDB: ============== END OF LOAD BALANCING =============== 10897.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10897.2 LDB: ============= START OF LOAD BALANCING ============== 10897.5 LDB: Largest compute 7033 load 0.032478 is 16.6% of average load 0.196130 LDB: Average compute 0.004372 is 2.2% of average load 0.196130 LDB: TIME 10897.5 LOAD: AVG 0.19613 MAX 0.218797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.238 MB LDB: TIME 10897.5 LOAD: AVG 0.19613 MAX 0.218797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 10897.5 LOAD: AVG 0.19613 MAX 0.218797 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: ============== END OF LOAD BALANCING =============== 10897.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10897.5 PRESSURE: 3444400 -121.988 -250.351 -77.1055 -250.35 -315.126 -166.681 -77.1066 -166.681 31.2268 GPRESSURE: 3444400 -24.5031 -190.218 -150.446 -112.186 -337.844 -188.04 -95.4167 -104.057 33.9112 PRESSAVG: 3444400 -5.71338 -29.223 -18.6786 -29.223 22.3908 -39.2174 -18.6786 -39.2174 12.9245 GPRESSAVG: 3444400 -5.1624 -28.873 -17.7524 -31.048 20.9453 -39.5467 -17.9893 -39.578 13.359 TIMING: 3444400 CPU: 10885.4, 0.00320775/step Wall: 10885.4, 0.00320775/step, 1.38611 hours remaining, 238.722656 MB of memory in use. ENERGY: 3444400 3989.3001 20576.3524 14408.7562 247.5227 -203012.4239 2413.2482 0.0000 0.0000 52234.4263 -109142.8181 300.1920 -161377.2444 -108784.6757 300.2281 -135.2958 -109.4785 763194.9488 9.8673 9.7140 PRESSURE: 3444600 -354.37 122.004 4.59934 122.004 79.8252 12.1434 4.59952 12.1434 188.383 GPRESSURE: 3444600 -329.256 115.345 10.6524 84.9363 141.427 76.4701 0.571938 -85.3168 168.636 PRESSAVG: 3444600 -65.0372 -43.3669 23.9754 -43.367 46.9041 19.4709 23.9754 19.4708 5.81871 GPRESSAVG: 3444600 -65.5132 -43.7081 22.2375 -43.3624 47.8002 20.5955 25.2479 18.9256 5.55972 TIMING: 3444600 CPU: 10886.1, 0.00316707/step Wall: 10886.1, 0.00316707/step, 1.36835 hours remaining, 238.925781 MB of memory in use. ENERGY: 3444600 3993.3855 20365.7477 14520.7732 263.3984 -203044.6461 2604.2288 0.0000 0.0000 52119.8662 -109177.2462 299.5336 -161297.1124 -108811.3470 299.5983 -28.7208 -6.3975 762922.1194 -4.1048 -4.0511 PRESSURE: 3444800 88.3794 13.4908 -79.9124 13.4908 115.414 31.2397 -79.9123 31.2387 307.161 GPRESSURE: 3444800 121.206 66.7898 -8.4946 104.588 252.035 28.9902 -38.1711 -66.1548 225.617 PRESSAVG: 3444800 -32.5371 -27.3573 -9.80118 -27.3573 55.5368 -13.7815 -9.80119 -13.7814 -1.21154 GPRESSAVG: 3444800 -32.6646 -27.5132 -7.20012 -24.6116 55.5867 -13.6164 -9.66379 -14.8171 -0.916606 TIMING: 3444800 CPU: 10886.7, 0.00316465/step Wall: 10886.7, 0.00316465/step, 1.36713 hours remaining, 238.925781 MB of memory in use. ENERGY: 3444800 3980.0286 20579.5160 14472.6277 247.6477 -203002.5898 2491.0202 0.0000 0.0000 52062.9108 -109168.8387 299.2063 -161231.7495 -108810.9223 299.3425 170.3182 199.6194 761281.1584 7.2627 7.3352 PRESSURE: 3445000 174.005 118.783 128.564 118.781 159.288 -117.637 128.563 -117.638 -320.844 GPRESSURE: 3445000 127.58 60.1714 34.3141 158.973 248.23 -58.7212 132.794 -147.147 -271.164 PRESSAVG: 3445000 -46.9228 37.5254 -14.0041 37.5254 52.2165 -30.1431 -14.0042 -30.143 5.05878 GPRESSAVG: 3445000 -47.4008 37.7214 -15.8952 38.9864 53.8181 -32.6185 -12.9746 -28.8858 4.15517 TIMING: 3445000 CPU: 10887.3, 0.00313977/step Wall: 10887.3, 0.00313977/step, 1.35621 hours remaining, 238.925781 MB of memory in use. ENERGY: 3445000 4013.2998 20412.8760 14532.0918 272.2281 -203210.7931 2709.1412 0.0000 0.0000 51966.8622 -109304.2939 298.6543 -161271.1562 -108939.1594 299.5391 4.1499 34.8822 762726.4662 3.4508 3.5242 PRESSURE: 3445200 -258.435 -161.03 363.078 -161.03 -15.7005 265.817 363.078 265.816 91.4321 GPRESSURE: 3445200 -122.427 -115.905 314.495 -69.6788 -50.8025 239.117 245.583 222.375 82.6617 PRESSAVG: 3445200 -38.0527 1.23687 10.2807 1.23683 37.8838 -21.4228 10.2808 -21.4228 -14.2743 GPRESSAVG: 3445200 -37.0535 0.491263 12.2365 0.0729121 37.5769 -19.3721 7.12296 -20.9434 -13.9033 TIMING: 3445200 CPU: 10887.9, 0.00314083/step Wall: 10887.9, 0.00314083/step, 1.35649 hours remaining, 238.925781 MB of memory in use. ENERGY: 3445200 3932.6944 20595.4921 14440.6859 252.9706 -203068.6494 2373.3658 0.0000 0.0000 52126.1136 -109347.3271 299.5695 -161473.4407 -108984.1641 299.1237 -60.9011 -30.1894 761789.9101 -4.8144 -4.4600 PRESSURE: 3445400 -283.803 -32.4775 134.62 -32.4776 -183.098 -153.248 134.621 -153.248 -267.309 GPRESSURE: 3445400 -272.145 67.6222 121.961 -41.175 -104.105 -173.15 33.8477 -215.861 -289.137 PRESSAVG: 3445400 -20.881 -29.2363 -7.25001 -29.2363 22.6492 -11.0159 -7.25002 -11.0159 -7.44644 GPRESSAVG: 3445400 -19.6884 -28.1075 -7.49589 -29.6683 22.1314 -11.9618 -5.94601 -10.4229 -8.53266 TIMING: 3445400 CPU: 10888.6, 0.00315248/step Wall: 10888.6, 0.00315248/step, 1.36135 hours remaining, 238.925781 MB of memory in use. ENERGY: 3445400 4035.5713 20471.3221 14446.9424 252.8678 -203163.2200 2439.3084 0.0000 0.0000 52063.8118 -109453.3962 299.2114 -161517.2081 -109084.7039 299.1729 -244.7366 -221.7959 762485.0166 -1.8928 -2.0299 PRESSURE: 3445600 -73.4429 -103.133 -106.032 -103.132 -309.47 39.0505 -106.032 39.0509 166.198 GPRESSURE: 3445600 5.69918 -20.9038 -100.152 -96.881 -383.836 45.9187 -10.9111 -40.5779 248.987 PRESSAVG: 3445600 -48.7913 -57.5211 -17.9526 -57.5211 44.9048 -5.90179 -17.9526 -5.90179 6.36798 GPRESSAVG: 3445600 -51.2951 -56.4064 -19.4106 -59.5092 46.0415 -6.79615 -17.2888 -5.88833 7.66704 TIMING: 3445600 CPU: 10889.2, 0.00314517/step Wall: 10889.2, 0.00314517/step, 1.35801 hours remaining, 238.925781 MB of memory in use. ENERGY: 3445600 3938.3057 20665.8380 14439.9176 251.8788 -203738.5402 2668.8682 0.0000 0.0000 52049.8422 -109723.8897 299.1312 -161773.7319 -109372.5142 298.7700 -72.2383 -43.0500 762792.8845 0.8272 0.8045 PRESSURE: 3445800 -314.074 -182.805 -297.434 -182.805 113.315 367.097 -297.434 367.097 -9.06517 GPRESSURE: 3445800 -265.059 -115.651 -330.631 -98.7682 191.166 249.94 -190.866 293.486 -28.3068 PRESSAVG: 3445800 3.08898 -18.8632 -6.95932 -18.8633 20.3694 -21.0335 -6.9593 -21.0335 1.82423 GPRESSAVG: 3445800 2.61688 -20.2948 -6.49687 -17.5549 20.4363 -20.0529 -6.46586 -22.2094 2.35228 TIMING: 3445800 CPU: 10889.8, 0.00313159/step Wall: 10889.8, 0.00313159/step, 1.35198 hours remaining, 238.925781 MB of memory in use. ENERGY: 3445800 4047.8402 20475.3357 14434.4787 233.3423 -203160.8521 2401.9193 0.0000 0.0000 52070.3172 -109497.6188 299.2488 -161567.9360 -109144.7618 298.8042 -69.9414 -34.0663 762011.1704 8.4275 8.4685 PRESSURE: 3446000 -7.45531 49.6887 92.2645 49.688 -95.1297 -299.733 92.2653 -299.733 55.3299 GPRESSURE: 3446000 97.7104 16.3766 49.0536 31.8681 -79.9145 -319.695 91.2957 -234.493 6.95521 PRESSAVG: 3446000 -17.3548 -0.0139818 12.5435 -0.014004 8.22029 -75.3977 12.5435 -75.3978 -15.0723 GPRESSAVG: 3446000 -15.9101 -0.747425 13.6788 2.1872 8.00262 -75.4261 11.3943 -74.1459 -16.7041 TIMING: 3446000 CPU: 10890.5, 0.00315311/step Wall: 10890.5, 0.00315311/step, 1.36109 hours remaining, 238.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3446000 4004.7823 20312.2026 14500.0148 248.5427 -203743.6868 2892.1079 0.0000 0.0000 52112.0211 -109674.0156 299.4885 -161786.0367 -109310.0828 299.3941 -15.7517 8.2504 761172.2019 -8.0689 -8.2039 PRESSURE: 3446200 19.4272 5.55564 -408.57 5.55615 -393.387 149.162 -408.57 149.161 -236.772 GPRESSURE: 3446200 -60.4234 -96.7477 -407.727 85.5201 -246.648 189.191 -417.777 88.4006 -230.198 PRESSAVG: 3446200 -19.5994 28.3511 32.5973 28.3511 -13.9322 -10.2451 32.5973 -10.2451 13.5948 GPRESSAVG: 3446200 -21.289 26.411 30.5041 28.2212 -13.3872 -8.98231 34.5987 -10.947 14.3288 TIMING: 3446200 CPU: 10891.1, 0.0031539/step Wall: 10891.1, 0.0031539/step, 1.36126 hours remaining, 238.925781 MB of memory in use. ENERGY: 3446200 3997.7368 20412.0334 14446.9931 251.7442 -203216.8978 2404.2045 0.0000 0.0000 51972.1175 -109732.0682 298.6845 -161704.1857 -109366.1657 298.8266 -203.5771 -179.0898 761538.2721 -6.6456 -6.7824 PRESSURE: 3446400 22.8985 -84.4205 -137.528 -84.4206 161.897 14.4588 -137.528 14.4584 300.955 GPRESSURE: 3446400 52.4101 7.58382 -127.407 -76.3063 175.956 25.7861 -88.0755 -17.0073 345.725 PRESSAVG: 3446400 33.1433 28.1627 -22.1723 28.1627 -5.97181 11.2731 -22.1723 11.2731 22.292 GPRESSAVG: 3446400 33.3995 31.1107 -22.2573 26.1406 -5.20521 10.6784 -24.259 9.98654 21.4912 TIMING: 3446400 CPU: 10891.7, 0.00314769/step Wall: 10891.7, 0.00314769/step, 1.35841 hours remaining, 238.925781 MB of memory in use. ENERGY: 3446400 3998.6856 20380.8549 14450.9163 237.4055 -203682.2856 2833.1442 0.0000 0.0000 51863.4926 -109917.7865 298.0602 -161781.2790 -109556.4789 298.4324 161.9169 191.3637 758848.5891 16.4878 16.5618 PRESSURE: 3446600 170.827 -70.3096 242.653 -70.3097 -231.785 -121.435 242.652 -121.434 -286.809 GPRESSURE: 3446600 125.407 -61.4319 175.509 -71.3442 -167.94 -69.88 261.505 -56.572 -220.007 PRESSAVG: 3446600 18.8822 -44.2845 31.0177 -44.2846 -39.6594 -3.75144 31.0177 -3.75139 -11.7447 GPRESSAVG: 3446600 19.5976 -45.6037 30.9705 -44.0297 -41.9095 -5.29384 34.1285 -3.00146 -9.70288 TIMING: 3446600 CPU: 10892.4, 0.00317169/step Wall: 10892.4, 0.00317169/step, 1.36858 hours remaining, 238.925781 MB of memory in use. ENERGY: 3446600 3978.6900 20386.9875 14349.7216 247.0065 -203571.3577 2609.2835 0.0000 0.0000 51849.7702 -110149.8984 297.9813 -161999.6686 -109786.6435 297.8704 -115.9221 -87.5134 759358.5379 -10.8406 -10.6716 PRESSURE: 3446800 -476.279 161.208 85.755 161.207 25.4147 -182.169 85.7539 -182.171 146.146 GPRESSURE: 3446800 -335.788 171.194 150.033 192.525 7.15338 -140.558 -17.4316 -283.98 91.771 PRESSAVG: 3446800 17.2197 1.59291 55.6657 1.5929 -15.6407 6.20809 55.6657 6.2081 30.0313 GPRESSAVG: 3446800 18.116 3.31183 57.1407 0.98096 -15.2587 6.15141 54.8973 5.98621 28.5265 TIMING: 3446800 CPU: 10893, 0.00315891/step Wall: 10893, 0.00315891/step, 1.36289 hours remaining, 238.925781 MB of memory in use. ENERGY: 3446800 3989.2591 20527.7170 14378.1404 254.2723 -203310.9582 2263.8184 0.0000 0.0000 52029.3858 -109868.3652 299.0136 -161897.7510 -109516.3088 297.8820 -101.5728 -78.9547 762430.7809 10.5367 10.4613 PRESSURE: 3447000 56.9238 -135.455 164.431 -135.455 -325.225 -294.184 164.431 -294.183 127.339 GPRESSURE: 3447000 81.2764 -154.39 165.008 -140.189 -266.93 -267.791 180.118 -369.905 132.625 PRESSAVG: 3447000 25.4356 -8.38453 18.1265 -8.38449 -64.905 -35.0879 18.1265 -35.0879 19.5521 GPRESSAVG: 3447000 24.9872 -8.93426 16.8635 -8.27258 -64.5252 -33.8824 16.5975 -34.4165 20.0234 TIMING: 3447000 CPU: 10893.6, 0.00314877/step Wall: 10893.6, 0.00314877/step, 1.35834 hours remaining, 238.925781 MB of memory in use. ENERGY: 3447000 4109.0988 20603.5876 14405.5721 246.3092 -203545.8648 2689.1858 0.0000 0.0000 51644.8956 -109847.2156 296.8039 -161492.1112 -109493.0373 298.2875 -46.9874 -17.6764 762402.1456 -6.6391 -6.5049 PRESSURE: 3447200 143.157 110.34 -227.837 110.339 -154.493 131.229 -227.837 131.23 -103.555 GPRESSURE: 3447200 129.046 84.4052 -132.214 79.3313 -107.047 67.2765 -182.098 160 -41.6834 PRESSAVG: 3447200 -3.06869 -49.0349 -44.1272 -49.0349 -4.37517 -5.47552 -44.1272 -5.47546 -3.43579 GPRESSAVG: 3447200 -3.55642 -50.2202 -43.7851 -49.5103 -4.19286 -6.89491 -45.1322 -4.72855 -2.90597 TIMING: 3447200 CPU: 10894.2, 0.00313918/step Wall: 10894.2, 0.00313918/step, 1.35403 hours remaining, 238.925781 MB of memory in use. ENERGY: 3447200 4019.8947 20466.9951 14400.0904 240.4752 -203711.8974 2689.7727 0.0000 0.0000 51953.0971 -109941.5722 298.5752 -161894.6693 -109584.3260 298.1761 -38.2969 -6.5615 761342.0197 -3.6265 -3.5517 PRESSURE: 3447400 198.173 -117.688 -43.9179 -117.687 3.3138 252.217 -43.9178 252.217 -246.35 GPRESSURE: 3447400 184.24 -179.278 -56.377 -132.374 7.91498 186.995 -77.8288 193.091 -160.179 PRESSAVG: 3447400 -27.8051 -41.4623 7.91345 -41.4624 24.795 31.3815 7.91357 31.3815 -11.7103 GPRESSAVG: 3447400 -28.5286 -41.4116 7.3048 -39.1385 24.6269 32.8632 10.0114 29.3213 -11.1501 TIMING: 3447400 CPU: 10894.9, 0.00314411/step Wall: 10894.9, 0.00314411/step, 1.35599 hours remaining, 238.925781 MB of memory in use. ENERGY: 3447400 3986.5648 20438.5212 14404.3674 246.9138 -203410.3351 2258.5737 0.0000 0.0000 52222.8666 -109852.5276 300.1255 -162075.3942 -109483.0648 298.6018 -14.9547 10.6590 760666.7159 -4.9068 -5.0173 PRESSURE: 3447600 -172.506 26.9382 -143.411 26.9389 43.93 -128.167 -143.411 -128.168 -83.0471 GPRESSURE: 3447600 -172.638 62.4477 -86.6913 34.5603 110.727 -160.193 -0.918305 -53.1074 -61.8564 PRESSAVG: 3447600 -8.26174 -38.507 6.36864 -38.5071 18.8222 -10.8704 6.36861 -10.8705 -4.46611 GPRESSAVG: 3447600 -7.37968 -37.5584 7.71925 -38.5314 20.2103 -11.1788 6.36497 -9.87564 -5.90795 TIMING: 3447600 CPU: 10895.5, 0.00313855/step Wall: 10895.5, 0.00313855/step, 1.35341 hours remaining, 238.925781 MB of memory in use. ENERGY: 3447600 3942.4379 20641.7428 14489.3816 244.9121 -203587.8158 2737.8521 0.0000 0.0000 51956.8407 -109574.6485 298.5967 -161531.4892 -109228.9363 299.1805 -70.5411 -41.2559 761663.5340 2.0314 2.3076 PRESSURE: 3447800 369.68 -107.736 -6.14375 -107.736 123.584 198.856 -6.14355 198.856 67.199 GPRESSURE: 3447800 428.53 -69.7705 1.58295 -166.895 142.026 76.1038 28.593 141.156 67.7042 PRESSAVG: 3447800 -55.9675 -49.0135 22.7669 -49.0135 40.3073 -38.1256 22.7669 -38.1256 -13.11 GPRESSAVG: 3447800 -55.4467 -49.4771 20.6235 -49.8882 39.4062 -39.1438 20.7923 -39.1189 -12.8374 TIMING: 3447800 CPU: 10896.1, 0.00315076/step Wall: 10896.1, 0.00315076/step, 1.3585 hours remaining, 238.925781 MB of memory in use. ENERGY: 3447800 3978.5609 20649.9355 14401.7479 250.1359 -203805.2992 3022.2155 0.0000 0.0000 51890.3505 -109612.3530 298.2146 -161502.7035 -109246.7968 299.0182 186.8210 212.7535 761073.9343 -9.5901 -9.6260 PRESSURE: 3448000 -345.59 -3.33063 -75.1726 -3.33152 -116.353 89.9983 -75.1728 89.998 -34.3273 GPRESSURE: 3448000 -328.643 53.3646 -66.6224 -37.8614 -90.2509 39.3905 32.7773 180.804 -5.42082 PRESSAVG: 3448000 14.7865 -36.9072 19.4623 -36.9071 10.5801 15.1274 19.4623 15.1274 3.30416 GPRESSAVG: 3448000 14.7176 -36.1648 20.7266 -37.3617 10.6123 15.8147 22.2405 15.7736 3.31991 TIMING: 3448000 CPU: 10896.8, 0.00313847/step Wall: 10896.8, 0.00313847/step, 1.35303 hours remaining, 238.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3448000 3943.6961 20581.6345 14435.4949 227.2715 -203451.1692 2548.9781 0.0000 0.0000 52201.1888 -109512.9054 300.0009 -161714.0942 -109149.7554 299.3274 -165.4234 -141.4382 761774.5743 9.5569 9.5499 PRESSURE: 3448200 154.58 3.00457 50.6386 3.00417 114.071 -40.0504 50.6392 -40.0492 -49.2508 GPRESSURE: 3448200 163.866 56.18 24.8421 24.7275 52.9524 -26.7907 -33.7007 -107.341 81.8794 PRESSAVG: 3448200 -47.8017 -26.5826 -4.69941 -26.5825 14.7955 -30.9752 -4.69944 -30.9752 -1.92904 GPRESSAVG: 3448200 -47.1679 -26.8483 -3.93405 -24.0848 13.9679 -30.6142 -6.58201 -30.9905 -1.63242 TIMING: 3448200 CPU: 10897.4, 0.00315218/step Wall: 10897.4, 0.00315218/step, 1.35876 hours remaining, 238.925781 MB of memory in use. ENERGY: 3448200 4032.6712 20607.6184 14467.7125 249.0580 -203656.9617 2911.0276 0.0000 0.0000 52113.6836 -109275.1904 299.4981 -161388.8740 -108913.2289 299.4040 73.1332 99.5659 762567.3994 -11.6451 -11.6108 LDB: ============= START OF LOAD BALANCING ============== 10909.8 LDB: ============== END OF LOAD BALANCING =============== 10909.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10909.8 LDB: ============= START OF LOAD BALANCING ============== 10910.1 LDB: Largest compute 7063 load 0.032130 is 16.4% of average load 0.196056 LDB: Average compute 0.004400 is 2.2% of average load 0.196056 LDB: TIME 10910.1 LOAD: AVG 0.196056 MAX 0.218215 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 10910.1 LOAD: AVG 0.196056 MAX 0.218215 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: TIME 10910.1 LOAD: AVG 0.196056 MAX 0.218215 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10910.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10910.1 PRESSURE: 3448400 -209.293 -11.0911 -24.5718 -11.0907 83.4239 90.8013 -24.571 90.8016 -136.458 GPRESSURE: 3448400 -119.963 20.264 -22.2453 9.63679 9.56511 52.5622 -146.529 182.618 -67.4554 PRESSAVG: 3448400 -34.9646 19.9353 34.7244 19.9354 18.9814 -0.684331 34.7244 -0.684359 -0.828643 GPRESSAVG: 3448400 -35.4384 20.8844 31.4357 17.7899 18.9381 -0.450683 37.141 -1.13329 0.051941 TIMING: 3448400 CPU: 10898, 0.00322285/step Wall: 10898, 0.00322285/step, 1.38905 hours remaining, 238.101562 MB of memory in use. ENERGY: 3448400 3996.0831 20444.6668 14533.3405 268.8982 -203429.4658 2582.5466 0.0000 0.0000 52250.8386 -109353.0919 300.2863 -161603.9305 -108991.8479 299.7957 -87.4424 -59.2845 762251.5712 -5.6039 -5.4828 PRESSURE: 3448600 -356.096 167.929 -191.047 167.93 -257.198 64.8936 -191.048 64.8932 -35.4618 GPRESSURE: 3448600 -377.718 212.584 -174.906 195.955 -173.764 70.2536 -233.239 23.7116 -25.6096 PRESSAVG: 3448600 6.83034 -21.8234 5.11413 -21.8234 -4.62644 43.1183 5.11407 43.1184 -8.40926 GPRESSAVG: 3448600 7.87944 -22.6151 6.22419 -18.7771 -3.35203 44.3445 3.52292 41.7832 -10.5845 TIMING: 3448600 CPU: 10898.7, 0.00314864/step Wall: 10898.7, 0.00314864/step, 1.35689 hours remaining, 238.101562 MB of memory in use. ENERGY: 3448600 4079.0357 20663.5697 14481.8021 243.6481 -202893.0137 2318.7996 0.0000 0.0000 51969.6493 -109136.5092 298.6703 -161106.1585 -108766.7624 300.0153 -216.2520 -192.3639 762255.1870 -2.0685 -2.0190 PRESSURE: 3448800 131.156 139.111 299.62 139.111 -3.26998 -31.7223 299.62 -31.7223 -150.136 GPRESSURE: 3448800 124.736 104.53 206.488 238.33 76.1035 -3.34584 322.553 16.1207 -144.505 PRESSAVG: 3448800 -10.0279 4.54043 -40.2581 4.54043 12.1498 67.3803 -40.2582 67.3803 19.6782 GPRESSAVG: 3448800 -10.8427 3.27937 -39.3539 1.56463 11.2067 67.2046 -41.0173 70.2976 21.3699 TIMING: 3448800 CPU: 10899.3, 0.00315296/step Wall: 10899.3, 0.00315296/step, 1.35857 hours remaining, 238.101562 MB of memory in use. ENERGY: 3448800 3967.9033 20502.8329 14471.7650 242.8024 -203193.3672 2693.2296 0.0000 0.0000 52189.3368 -109125.4972 299.9328 -161314.8340 -108758.5619 300.0017 -7.4168 18.7779 762031.7647 7.2667 7.2447 PRESSURE: 3449000 -85.2667 157.363 85.2331 157.363 -176.865 -125.403 85.2334 -125.403 -375.98 GPRESSURE: 3449000 -96.4344 192.169 74.1473 91.3516 -132.461 -60.8619 120.475 4.7147 -321.694 PRESSAVG: 3449000 -17.633 43.5057 -6.94343 43.5058 31.8503 37.1544 -6.94344 37.1545 15.6827 GPRESSAVG: 3449000 -17.4084 46.2951 -6.55663 44.0935 32.6663 38.2252 -5.62097 34.8571 15.1955 TIMING: 3449000 CPU: 10899.9, 0.00315504/step Wall: 10899.9, 0.00315504/step, 1.3593 hours remaining, 238.101562 MB of memory in use. ENERGY: 3449000 4026.2877 20446.9707 14457.7537 254.2165 -202800.1576 2376.0571 0.0000 0.0000 51980.2552 -109258.6167 298.7312 -161238.8719 -108888.9061 299.0069 -212.7038 -183.5296 762733.8445 9.9667 10.1511 PRESSURE: 3449200 -306.861 44.8301 -112.496 44.8304 55.3157 51.7764 -112.495 51.7768 154.758 GPRESSURE: 3449200 -322.356 0.727379 -82.5595 82.981 132.236 38.9236 -33.8108 14.8636 189.578 PRESSAVG: 3449200 -20.3311 -11.8414 15.3261 -11.8414 38.2261 12.03 15.3261 12.03 13.6725 GPRESSAVG: 3449200 -19.9043 -13.2165 15.5897 -12.4725 38.426 10.0556 15.6783 13.3869 12.9796 TIMING: 3449200 CPU: 10900.6, 0.0031574/step Wall: 10900.6, 0.0031574/step, 1.36014 hours remaining, 238.101562 MB of memory in use. ENERGY: 3449200 4007.9500 20540.0613 14490.1491 255.8264 -203239.8958 2590.8506 0.0000 0.0000 52227.5871 -109127.4713 300.1527 -161355.0584 -108764.4505 300.0312 -32.2624 -0.1807 760814.4494 10.5225 10.5004 PRESSURE: 3449400 -83.0068 -37.5649 -278.693 -37.5652 -13.2287 -278.663 -278.692 -278.662 7.14231 GPRESSURE: 3449400 -39.79 73.5761 -314.885 -84.0882 -110.499 -296.797 -147.643 -226.5 144.061 PRESSAVG: 3449400 13.7213 -24.9792 -49.4059 -24.9792 -51.6895 71.925 -49.406 71.925 14.0894 GPRESSAVG: 3449400 11.8692 -26.0026 -50.2412 -24.8489 -51.647 73.4753 -48.9777 69.3933 15.9876 TIMING: 3449400 CPU: 10901.2, 0.00313957/step Wall: 10901.2, 0.00313957/step, 1.35228 hours remaining, 238.101562 MB of memory in use. ENERGY: 3449400 3963.2655 20669.1499 14494.7329 275.6635 -202955.7113 2462.6925 0.0000 0.0000 51991.6420 -109098.5649 298.7967 -161090.2069 -108737.9860 299.6584 -29.6978 -2.0759 760982.1686 -7.9596 -7.9301 PRESSURE: 3449600 -167.708 203.009 43.9793 203.01 86.3263 152.08 43.9786 152.08 -21.2596 GPRESSURE: 3449600 -177.196 173.595 -56.8493 245.968 147.087 154.341 16.9206 166.515 11.2705 PRESSAVG: 3449600 31.7458 1.25909 -15.1021 1.2591 -34.6178 52.7713 -15.1021 52.7712 -0.733682 GPRESSAVG: 3449600 32.09 2.47996 -15.1938 1.97297 -33.6916 53.0873 -19.1835 55.005 -1.8461 TIMING: 3449600 CPU: 10901.8, 0.00314043/step Wall: 10901.8, 0.00314043/step, 1.35248 hours remaining, 238.101562 MB of memory in use. ENERGY: 3449600 3975.8430 20558.7257 14436.9616 242.2111 -203017.7759 2461.9205 0.0000 0.0000 52118.7418 -109223.3723 299.5271 -161342.1141 -108858.8414 299.5280 -34.2139 -6.2793 762065.5418 -1.2019 -1.1492 PRESSURE: 3449800 25.2301 4.54851 98.1132 4.54848 35.4029 60.4129 98.1134 60.4114 -180.527 GPRESSURE: 3449800 120.217 36.5891 37.3737 -34.6146 1.90379 -1.97703 104.081 -53.6367 -151.302 PRESSAVG: 3449800 -6.25562 13.0554 -6.02306 13.0554 -20.5402 62.7657 -6.02304 62.7656 -7.09685 GPRESSAVG: 3449800 -5.89977 11.8198 -5.94081 13.4798 -21.6604 62.2972 -1.69004 62.1086 -6.21545 TIMING: 3449800 CPU: 10902.4, 0.00314336/step Wall: 10902.4, 0.00314336/step, 1.35356 hours remaining, 238.101562 MB of memory in use. ENERGY: 3449800 4010.4296 20551.4549 14443.6591 241.9038 -203165.2311 2735.4804 0.0000 0.0000 51971.9921 -109210.3113 298.6838 -161182.3034 -108857.0654 299.2830 -39.9648 -9.7271 761711.3883 -11.2976 -11.2585 PRESSURE: 3450000 159.018 -27.8182 143.874 -27.8186 -87.9725 -171.506 143.874 -171.506 -340.955 GPRESSURE: 3450000 130.042 -2.84118 214.733 -7.79008 33.721 -104.967 91.625 -92.7811 -336.642 PRESSAVG: 3450000 8.46712 20.2871 -47.6903 20.2872 -31.042 63.3634 -47.6903 63.3635 4.47318 GPRESSAVG: 3450000 8.03487 21.6882 -48.4855 19.7841 -30.3355 61.0475 -49.2785 62.5871 4.2967 TIMING: 3450000 CPU: 10903.1, 0.00313625/step Wall: 10903.1, 0.00313625/step, 1.35033 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3450000 3975.3667 20424.0079 14448.2729 235.3424 -202993.9458 2523.4066 0.0000 0.0000 51964.2233 -109423.3260 298.6391 -161387.5493 -109053.6104 299.0863 -89.9701 -57.6262 762262.0402 -6.0339 -6.0013 PRESSURE: 3450200 -235.086 59.2189 -196.156 59.2189 -453.956 -116.064 -196.158 -116.063 -236.244 GPRESSURE: 3450200 -215.372 43.5594 -193.217 12.6172 -463.59 -119.434 -221.16 -36.2737 -178.587 PRESSAVG: 3450200 3.52766 -32.944 7.75137 -32.944 -2.68677 14.7073 7.75137 14.7073 -2.68502 GPRESSAVG: 3450200 3.87149 -33.2882 8.64383 -34.5071 -2.23994 17.7054 5.27619 16.2736 -4.19563 TIMING: 3450200 CPU: 10903.7, 0.00316705/step Wall: 10903.7, 0.00316706/step, 1.36342 hours remaining, 238.101562 MB of memory in use. ENERGY: 3450200 3996.8195 20426.6868 14436.4482 259.4244 -203214.4128 2374.7697 0.0000 0.0000 52202.0486 -109518.2156 300.0059 -161720.2642 -109147.5650 299.1827 -308.4287 -285.8497 762073.8441 -0.6147 -0.8547 PRESSURE: 3450400 -894.716 40.4551 -16.5558 40.4548 -358.295 115.225 -16.5557 115.225 -69.2735 GPRESSURE: 3450400 -779.608 -21.1017 37.1459 148.333 -402.734 220.155 165.535 -36.5369 -64.6021 PRESSAVG: 3450400 -86.1768 -48.51 -35.3239 -48.51 28.0261 52.7444 -35.3239 52.7443 5.02509 GPRESSAVG: 3450400 -84.9275 -49.8053 -35.4038 -47.4172 26.0763 50.9365 -31.4314 52.0783 6.19092 TIMING: 3450400 CPU: 10904.3, 0.00313551/step Wall: 10904.3, 0.00313551/step, 1.34966 hours remaining, 238.101562 MB of memory in use. ENERGY: 3450400 4035.4268 20591.1465 14508.1659 244.3700 -203280.1556 2496.2111 0.0000 0.0000 51690.2407 -109714.5947 297.0645 -161404.8353 -109366.8109 298.7041 -440.7614 -415.6481 762446.2243 -17.7085 -17.5534 PRESSURE: 3450600 64.0501 57.0829 -57.9927 57.0825 -148.905 -26.8478 -57.9931 -26.8486 -366.359 GPRESSURE: 3450600 94.5175 38.0752 15.7797 129.937 -185.625 49.7351 -81.729 16.9637 -265.845 PRESSAVG: 3450600 -31.329 24.1239 -25.0646 24.1239 17.0362 -13.7994 -25.0646 -13.7994 13.8932 GPRESSAVG: 3450600 -32.0005 24.2681 -23.3295 23.2909 18.2608 -13.4868 -25.6932 -14.6717 13.3314 TIMING: 3450600 CPU: 10905, 0.00313953/step Wall: 10905, 0.00313953/step, 1.35122 hours remaining, 238.101562 MB of memory in use. ENERGY: 3450600 4071.0205 20443.5671 14427.4584 259.6924 -202978.5760 2504.2960 0.0000 0.0000 51637.5814 -109634.9602 296.7619 -161272.5416 -109288.1097 298.6104 -150.4047 -118.9843 762213.1388 -0.1332 -0.1361 PRESSURE: 3450800 -100.898 -31.9731 8.06697 -31.9734 -44.6413 192.382 8.06685 192.383 -45.6211 GPRESSURE: 3450800 -6.27472 47.5133 68.247 30.9216 -64.7998 215.546 -112.717 230.484 -6.01 PRESSAVG: 3450800 -13.8935 56.28 47.242 56.28 34.9762 43.6093 47.242 43.6094 -4.61302 GPRESSAVG: 3450800 -14.3774 58.8384 44.8608 57.5028 34.8164 43.2027 47.1459 46.3374 -3.80091 TIMING: 3450800 CPU: 10905.6, 0.0031588/step Wall: 10905.6, 0.0031588/step, 1.35934 hours remaining, 238.101562 MB of memory in use. ENERGY: 3450800 4052.3759 20626.5390 14393.0227 245.9364 -202563.1854 2284.5021 0.0000 0.0000 51703.9119 -109256.8975 297.1431 -160960.8093 -108905.2132 298.9008 -63.7201 -25.6948 762103.4390 5.4899 5.5460 PRESSURE: 3451000 -284.847 -172.949 21.1982 -172.949 247.821 47.4255 21.1983 47.4263 -9.11561 GPRESSURE: 3451000 -207.882 -176.577 -81.372 -157.128 299.211 -32.0686 79.2108 165.595 -39.6691 PRESSAVG: 3451000 1.25203 36.1174 -9.71952 36.1174 -4.33021 -21.702 -9.71957 -21.7021 3.67737 GPRESSAVG: 3451000 0.980339 33.3867 -9.68212 33.9462 -3.20109 -23.3791 -11.0618 -23.6701 3.16591 TIMING: 3451000 CPU: 10906.2, 0.00315568/step Wall: 10906.2, 0.00315568/step, 1.35782 hours remaining, 238.101562 MB of memory in use. ENERGY: 3451000 4003.0643 20402.8076 14447.7278 243.3693 -203488.5953 2787.2585 0.0000 0.0000 52160.9678 -109443.4000 299.7698 -161604.3678 -109073.8678 299.0592 -15.3806 17.2199 761240.7970 0.1997 0.3151 PRESSURE: 3451200 -62.3001 -72.1358 -11.4979 -72.1358 -191.563 -47.5814 -11.4988 -47.5801 -551.648 GPRESSURE: 3451200 -44.7527 17.5169 -5.09399 -118.725 -193.711 -87.8675 0.864873 -2.67412 -471.31 PRESSAVG: 3451200 -8.76441 -16.8266 4.03123 -16.8265 35.7141 -41.7945 4.03122 -41.7945 -5.16995 GPRESSAVG: 3451200 -7.81268 -17.3034 3.66776 -16.0105 34.9355 -40.2056 2.81702 -40.5951 -5.16231 TIMING: 3451200 CPU: 10906.8, 0.00316765/step Wall: 10906.8, 0.00316765/step, 1.36279 hours remaining, 238.101562 MB of memory in use. ENERGY: 3451200 4053.1699 20426.6823 14477.5588 241.0090 -203189.5442 2389.4690 0.0000 0.0000 52037.8818 -109563.7733 299.0624 -161601.6551 -109192.7611 298.9561 -268.5037 -236.5913 761851.1357 7.2599 7.3202 PRESSURE: 3451400 103.168 -28.0265 -227.882 -28.0263 -23.4544 75.1158 -227.883 75.1166 -380.755 GPRESSURE: 3451400 173.195 -12.7254 -290.091 -147.896 -34.4337 167.855 -195.526 41.366 -352.863 PRESSAVG: 3451400 44.0131 -39.9857 23.5401 -39.9857 -27.7415 22.6129 23.5401 22.6129 19.2425 GPRESSAVG: 3451400 43.8815 -38.9474 24.6458 -39.2105 -28.1743 23.4935 26.58 22.4564 19.3827 TIMING: 3451400 CPU: 10907.5, 0.00316919/step Wall: 10907.5, 0.00316919/step, 1.36328 hours remaining, 238.101562 MB of memory in use. ENERGY: 3451400 4068.4867 20631.0632 14463.0395 267.9646 -203377.9201 2472.6725 0.0000 0.0000 51893.9124 -109580.7814 298.2350 -161474.6938 -109217.2009 298.4640 -100.3470 -71.3672 761363.7631 11.8380 11.6966 PRESSURE: 3451600 -302.907 146.642 -38.2921 146.643 -158.098 2.17494 -38.2924 2.17361 -410.913 GPRESSURE: 3451600 -376.768 104.857 -29.7336 69.9165 -127.065 -48.8982 -202.452 46.2297 -295.911 PRESSAVG: 3451600 16.2491 -20.4108 -31.8464 -20.4108 -39.8219 -33.1281 -31.8464 -33.1282 -1.91254 GPRESSAVG: 3451600 16.4425 -21.0784 -33.1562 -19.5203 -40.0457 -33.5963 -33.4987 -32.4203 -2.0698 TIMING: 3451600 CPU: 10908.1, 0.00315104/step Wall: 10908.1, 0.00315104/step, 1.3553 hours remaining, 238.101562 MB of memory in use. ENERGY: 3451600 3979.5394 20278.6029 14453.4396 242.6155 -202980.9175 2363.5546 0.0000 0.0000 52045.5018 -109617.6635 299.1062 -161663.1653 -109254.6605 298.6509 -290.6394 -266.5812 761390.0217 -8.4951 -8.5577 PRESSURE: 3451800 137.282 -64.1074 191.572 -64.1063 -104.824 66.7854 191.572 66.7855 -510.753 GPRESSURE: 3451800 192.581 -113.845 242.403 -86.6517 -100.609 94.3241 245.528 0.0259969 -513.692 PRESSAVG: 3451800 32.2317 4.86689 1.8461 4.86687 -22.8623 60.0061 1.84606 60.006 -1.29455 GPRESSAVG: 3451800 31.8551 4.02502 1.53548 4.58203 -22.6328 59.3927 1.94895 59.0734 -1.45752 TIMING: 3451800 CPU: 10908.7, 0.00316319/step Wall: 10908.7, 0.00316319/step, 1.36035 hours remaining, 238.101562 MB of memory in use. ENERGY: 3451800 4096.1960 20499.5696 14423.2085 235.5887 -203371.9421 2580.7795 0.0000 0.0000 51757.2330 -109779.3667 297.4495 -161536.5997 -109420.5977 298.6135 -159.4317 -140.5735 759820.8833 2.6916 2.5883 PRESSURE: 3452000 -2.37826 -235.509 129.484 -235.507 275.715 -86.0273 129.485 -86.0275 -61.4877 GPRESSURE: 3452000 35.2515 -225.499 43.2785 -172.778 368.173 -109.195 222.726 -33.4014 -109.321 PRESSAVG: 3452000 -17.3128 1.39154 -24.4183 1.39157 6.01942 9.53711 -24.4183 9.53713 14.9736 GPRESSAVG: 3452000 -16.2381 3.12225 -24.7654 0.168826 5.4745 10.6309 -23.1227 8.68399 14.5939 TIMING: 3452000 CPU: 10909.4, 0.00319399/step Wall: 10909.4, 0.00319399/step, 1.37342 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3452000 3992.1361 20358.1664 14464.0449 240.9181 -203491.9299 2662.0057 0.0000 0.0000 51925.7065 -109848.9522 298.4177 -161774.6587 -109485.3678 298.2600 70.6164 98.0343 761788.0417 1.2267 1.2768 PRESSURE: 3452200 -360.026 157.817 -280.724 157.816 -8.197 -158.13 -280.724 -158.13 -155.604 GPRESSURE: 3452200 -298.918 135.809 -269.168 168.114 -37.5663 -231.554 -249.271 -270.873 -100.005 PRESSAVG: 3452200 -49.639 6.0153 11.963 6.01533 21.5252 9.48818 11.9629 9.48816 2.00515 GPRESSAVG: 3452200 -50.0804 4.78787 12.4413 7.14302 21.9759 7.91777 11.2002 10.6963 2.74772 TIMING: 3452200 CPU: 10910, 0.00318504/step Wall: 10910, 0.00318504/step, 1.36939 hours remaining, 238.101562 MB of memory in use. ENERGY: 3452200 3996.4107 20529.5137 14493.5185 232.9260 -203393.3032 2523.8954 0.0000 0.0000 51938.0332 -109679.0056 298.4886 -161617.0387 -109326.8648 298.5915 -174.6091 -145.4965 762017.3466 -8.7029 -8.4523 LDB: ============= START OF LOAD BALANCING ============== 10922.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10922.4 LDB: =============== DONE WITH MIGRATION ================ 10922.4 LDB: ============= START OF LOAD BALANCING ============== 10922.7 LDB: Largest compute 7033 load 0.033063 is 16.9% of average load 0.196043 LDB: Average compute 0.004391 is 2.2% of average load 0.196043 LDB: TIME 10922.7 LOAD: AVG 0.196043 MAX 0.216279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.871 MB LDB: TIME 10922.7 LOAD: AVG 0.196043 MAX 0.216279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 10922.7 LOAD: AVG 0.196043 MAX 0.216279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 10922.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10922.8 PRESSURE: 3452400 249.814 118.727 174.097 118.728 273.889 89.6738 174.096 89.6735 -65.5149 GPRESSURE: 3452400 298.259 30.6533 75.2781 252.049 252.098 34.4174 192.734 139.705 -4.05866 PRESSAVG: 3452400 -14.5076 -1.29456 19.1855 -1.29449 7.41067 30.7277 19.1855 30.7277 -32.6487 GPRESSAVG: 3452400 -14.9961 0.00714155 19.5428 -2.81656 7.5498 31.0937 19.1471 29.188 -32.2191 TIMING: 3452400 CPU: 10910.7, 0.00324004/step Wall: 10910.7, 0.00324004/step, 1.39286 hours remaining, 239.117188 MB of memory in use. ENERGY: 3452400 3978.2106 20520.2433 14442.3457 239.8403 -203315.6358 2616.9685 0.0000 0.0000 51778.5730 -109739.4545 297.5722 -161518.0274 -109375.7269 298.6103 152.7294 182.0994 762435.0930 -13.2486 -13.2218 PRESSURE: 3452600 143.332 24.0118 261.01 24.0122 53.1625 -149.483 261.01 -149.484 -371.044 GPRESSURE: 3452600 180.118 0.596521 216.473 127.886 55.0573 -93.065 124.664 -123.689 -320.637 PRESSAVG: 3452600 -28.6316 -7.51904 31.0361 -7.51904 81.2398 14.3877 31.0361 14.3878 14.6049 GPRESSAVG: 3452600 -29.1215 -9.79188 31.4848 -5.07965 81.2683 15.4346 31.4838 15.3665 14.8943 TIMING: 3452600 CPU: 10911.3, 0.00319097/step Wall: 10911.3, 0.00319096/step, 1.37158 hours remaining, 239.320312 MB of memory in use. ENERGY: 3452600 3998.7562 20544.4156 14514.4307 237.0297 -203317.3847 2356.9202 0.0000 0.0000 51811.9415 -109853.8907 297.7639 -161665.8322 -109489.9864 298.5107 -58.1832 -28.4870 761058.4550 22.4044 22.3471 PRESSURE: 3452800 -151.94 48.6268 -176.111 48.6272 -302.701 -149.988 -176.11 -149.989 -231.205 GPRESSURE: 3452800 -165.017 70.4152 -160.549 72.8546 -220.733 -141.805 -38.4327 -212.098 -212.794 PRESSAVG: 3452800 -50.2666 -12.9743 29.4368 -12.9743 22.4369 -31.8926 29.4369 -31.8926 4.57765 GPRESSAVG: 3452800 -49.948 -11.8379 28.9477 -13.6075 21.1418 -33.1311 27.6444 -32.7151 5.21791 TIMING: 3452800 CPU: 10911.9, 0.00318198/step Wall: 10911.9, 0.00318198/step, 1.36755 hours remaining, 239.320312 MB of memory in use. ENERGY: 3452800 3955.0727 20371.4509 14501.1022 234.3657 -203381.6383 2392.6605 0.0000 0.0000 51973.7123 -109953.2740 298.6936 -161926.9862 -109581.6352 298.2306 -228.6153 -199.5146 761699.2822 -7.7507 -7.8628 PRESSURE: 3453000 -107.523 -64.9424 75.0596 -64.9425 194.596 120.927 75.0601 120.927 -485.624 GPRESSURE: 3453000 -87.0156 -93.3991 41.9266 39.5764 114.484 77.0477 73.6304 70.8015 -349.645 PRESSAVG: 3453000 -37.1646 3.22024 -6.59754 3.22025 45.5143 47.2385 -6.59753 47.2385 -16.3402 GPRESSAVG: 3453000 -36.5732 2.3227 -4.77526 1.27274 46.1642 47.4101 -8.62982 46.699 -16.6732 TIMING: 3453000 CPU: 10912.6, 0.00318774/step Wall: 10912.6, 0.00318774/step, 1.36984 hours remaining, 239.320312 MB of memory in use. ENERGY: 3453000 3999.7819 20364.4873 14546.3929 241.6017 -203375.0292 2673.2793 0.0000 0.0000 51697.7316 -109851.7546 297.1076 -161549.4862 -109502.6276 297.8523 -132.8502 -107.3923 762361.2854 -2.6635 -2.3607 PRESSURE: 3453200 -26.1388 -210.995 45.8823 -210.995 -385.889 161.175 45.882 161.175 -123.568 GPRESSURE: 3453200 -94.6203 -266.846 -22.7519 -298.742 -287.929 216.306 52.5099 146.286 -85.7858 PRESSAVG: 3453200 -64.4077 -66.44 13.4781 -66.44 21.4332 32.4915 13.478 32.4915 10.8166 GPRESSAVG: 3453200 -64.8819 -66.0918 12.2459 -65.4729 22.5334 33.7566 19.2209 32.7778 9.81967 TIMING: 3453200 CPU: 10913.2, 0.00314976/step Wall: 10913.2, 0.00314976/step, 1.35335 hours remaining, 239.320312 MB of memory in use. ENERGY: 3453200 3980.8211 20461.8127 14423.2588 261.8327 -203594.4648 2524.7977 0.0000 0.0000 51998.6812 -109943.2606 298.8371 -161941.9418 -109595.8855 298.2205 -178.5319 -156.1118 763158.3752 -10.7193 -10.8429 PRESSURE: 3453400 -447.566 99.5687 -203.561 99.5681 -454.466 154.781 -203.561 154.782 -184.401 GPRESSURE: 3453400 -387.857 106.168 -171.855 50.2767 -401.819 170.542 -160.452 112.417 -225.287 PRESSAVG: 3453400 -76.6732 -31.4903 -12.879 -31.4902 39.2314 39.3553 -12.879 39.3552 28.8119 GPRESSAVG: 3453400 -76.0278 -30.8013 -11.5143 -31.1625 38.738 38.9855 -15.5358 39.1588 27.8637 TIMING: 3453400 CPU: 10913.8, 0.00315957/step Wall: 10913.8, 0.00315957/step, 1.35739 hours remaining, 239.320312 MB of memory in use. ENERGY: 3453400 4009.3799 20362.2327 14484.3597 230.3698 -203296.9952 2506.0931 0.0000 0.0000 51763.3754 -109941.1846 297.4848 -161704.5600 -109578.9194 298.3405 -362.1444 -338.3210 762851.7031 -2.8766 -3.1420 PRESSURE: 3453600 -68.6751 -132.244 107.598 -132.243 24.8046 205.942 107.598 205.943 -180.001 GPRESSURE: 3453600 -39.5854 -96.7717 92.1767 25.2422 49.1342 223.068 6.05143 202.781 -155.245 PRESSAVG: 3453600 -50.5281 41.3597 42.2117 41.3597 31.3365 83.4939 42.2117 83.494 -4.80813 GPRESSAVG: 3453600 -52.2797 41.9374 40.173 41.3093 30.5208 82.9601 41.3631 85.5932 -3.57321 TIMING: 3453600 CPU: 10914.5, 0.00313724/step Wall: 10914.5, 0.00313724/step, 1.34762 hours remaining, 239.320312 MB of memory in use. ENERGY: 3453600 4018.1979 20411.7738 14478.2092 229.3668 -203801.7422 2702.0114 0.0000 0.0000 51756.3150 -110205.8681 297.4443 -161962.1831 -109847.4396 297.5046 -74.6238 -48.5653 761558.6146 -7.9999 -8.4440 PRESSURE: 3453800 32.9492 -79.8918 55.5134 -79.891 88.1236 205.688 55.514 205.689 304.027 GPRESSURE: 3453800 154.22 -18.2057 -3.84186 -76.727 72.4283 137.866 225.291 195.701 290.703 PRESSAVG: 3453800 -3.67216 11.96 -41.6406 11.96 -23.5886 57.0639 -41.6406 57.0639 32.0363 GPRESSAVG: 3453800 -3.74553 12.829 -40.7798 11.6536 -22.6109 58.0946 -39.9558 54.9846 30.7749 TIMING: 3453800 CPU: 10915.1, 0.00317525/step Wall: 10915.1, 0.00317525/step, 1.36377 hours remaining, 239.320312 MB of memory in use. ENERGY: 3453800 3968.7193 20512.2610 14447.3130 255.7915 -203549.3850 2599.5070 0.0000 0.0000 51729.9500 -110035.8432 297.2927 -161765.7931 -109679.4008 297.3286 141.6999 172.4504 761371.8115 1.5919 1.4728 PRESSURE: 3454000 174.347 19.0401 59.1421 19.0397 305.136 -75.3246 59.1431 -75.3254 -519.712 GPRESSURE: 3454000 182.728 -15.7537 8.42418 93.5841 284.69 -19.1226 155.371 -7.00931 -416.55 PRESSAVG: 3454000 -20.4711 -105.153 -17.9386 -105.153 -1.49669 79.9024 -17.9386 79.9024 21.6705 GPRESSAVG: 3454000 -20.5102 -103.573 -19.7497 -105.077 -3.00505 79.1557 -18.2128 80.989 23.4894 TIMING: 3454000 CPU: 10915.7, 0.0032055/step Wall: 10915.7, 0.0032055/step, 1.37659 hours remaining, 239.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3454000 4005.5016 20524.9264 14393.3115 226.7194 -203640.2843 2609.2851 0.0000 0.0000 51781.6735 -110098.8667 297.5900 -161880.5402 -109739.0392 297.9696 -13.4095 16.9559 760337.9118 -0.0991 -0.0086 PRESSURE: 3454200 167.359 -105.581 50.3516 -105.58 -57.1531 -70.8788 50.3521 -70.8787 312.169 GPRESSURE: 3454200 162.688 -195.263 -17.3735 -199.017 -18.4126 -81.4421 6.79336 -100.256 373.968 PRESSAVG: 3454200 -11.5865 -11.6766 -21.9287 -11.6767 6.79568 12.7579 -21.9288 12.7579 -2.72732 GPRESSAVG: 3454200 -10.7698 -14.8615 -21.4199 -11.7995 6.91583 14.0911 -23.0716 12.7644 -4.06967 TIMING: 3454200 CPU: 10916.4, 0.00318451/step Wall: 10916.4, 0.00318451/step, 1.3674 hours remaining, 239.320312 MB of memory in use. ENERGY: 3454200 3973.8974 20345.0061 14386.5852 240.3612 -203713.5406 2717.7926 0.0000 0.0000 51853.1830 -110196.7151 298.0010 -162049.8981 -109831.8587 297.5473 140.7919 172.7479 759957.5304 -2.5060 -2.6412 PRESSURE: 3454400 -6.38945 -6.4053 -199.969 -6.40503 131.349 -15.7186 -199.97 -15.7177 87.5992 GPRESSURE: 3454400 -47.0995 22.6213 -176.853 43.7622 157.732 15.0263 -130.146 -50.1078 184.945 PRESSAVG: 3454400 8.48326 -59.2213 0.454337 -59.2213 41.1332 50.314 0.454254 50.314 -16.2053 GPRESSAVG: 3454400 8.17312 -59.5264 1.05948 -57.2734 40.7912 49.6841 1.37531 48.8736 -15.5028 TIMING: 3454400 CPU: 10917, 0.00317409/step Wall: 10917, 0.00317409/step, 1.36274 hours remaining, 239.320312 MB of memory in use. ENERGY: 3454400 3993.4754 20563.8847 14491.1436 233.4939 -203832.4006 2814.8626 0.0000 0.0000 51672.5210 -110063.0195 296.9627 -161735.5405 -109702.2936 297.9435 70.8528 98.5256 761408.3141 11.1371 11.1538 PRESSURE: 3454600 -98.4353 -68.6644 -176.518 -68.6644 159.562 -129.08 -176.519 -129.082 -74.611 GPRESSURE: 3454600 4.85186 -35.1477 -158.805 -49.2561 149.041 -123.08 55.2314 -175.294 -78.7454 PRESSAVG: 3454600 -28.3012 -61.4939 -45.9443 -61.4939 44.7552 -2.37903 -45.9443 -2.3791 14.1462 GPRESSAVG: 3454600 -28.4902 -59.9226 -46.347 -64.7398 45.4533 -1.04016 -43.808 -0.856013 13.2999 TIMING: 3454600 CPU: 10917.7, 0.00316652/step Wall: 10917.7, 0.00316652/step, 1.35932 hours remaining, 239.320312 MB of memory in use. ENERGY: 3454600 3951.9377 20287.1933 14435.1987 231.4528 -203698.2384 2713.9935 0.0000 0.0000 52036.1073 -110042.3552 299.0522 -162078.4625 -109672.0208 297.7131 -4.4948 25.0493 760670.3046 10.2000 10.0877 PRESSURE: 3454800 101.18 -18.0886 -186.044 -18.0882 53.1932 -121.008 -186.045 -121.008 591.914 GPRESSURE: 3454800 130.738 57.2629 -197.2 12.9833 51.3578 -265.279 -178.824 -165.904 622.972 PRESSAVG: 3454800 -17.9166 -82.8043 -33.1364 -82.8043 6.43467 -44.1621 -33.1363 -44.1622 16.3531 GPRESSAVG: 3454800 -18.0228 -83.5448 -32.2682 -81.8158 6.80021 -45.8325 -35.4642 -44.326 16.4294 TIMING: 3454800 CPU: 10918.3, 0.00317834/step Wall: 10918.3, 0.00317834/step, 1.36421 hours remaining, 239.320312 MB of memory in use. ENERGY: 3454800 3899.5413 20617.9843 14441.7088 255.4986 -203405.4864 2659.0864 0.0000 0.0000 51679.2430 -109852.4241 297.0013 -161531.6671 -109492.6893 298.0771 248.7622 268.3561 760392.0343 1.6237 1.7356 PRESSURE: 3455000 -219.439 -11.2577 88.4347 -11.2571 -33.9331 -141.468 88.4345 -141.467 101.41 GPRESSURE: 3455000 -110.149 -119.338 137.609 8.31477 -10.4604 -25.856 -15.9113 -120.05 30.1985 PRESSAVG: 3455000 -37.3629 -8.71025 60.0205 -8.71024 48.8645 7.81119 60.0205 7.81115 -6.71234 GPRESSAVG: 3455000 -38.0626 -8.70082 58.6421 -7.47172 48.1748 8.51425 58.9208 7.66061 -5.91381 TIMING: 3455000 CPU: 10918.9, 0.00315846/step Wall: 10918.9, 0.00315846/step, 1.35551 hours remaining, 239.320312 MB of memory in use. ENERGY: 3455000 3996.1827 20302.8150 14557.7880 243.7464 -203578.8596 2668.5222 0.0000 0.0000 52150.6497 -109659.1556 299.7105 -161809.8053 -109288.5036 298.6396 -50.6540 -30.1370 761622.2161 1.5964 1.3995 PRESSURE: 3455200 -161.095 130.406 -145.68 130.405 -63.0537 -18.3086 -145.68 -18.3077 -206.39 GPRESSURE: 3455200 -148.786 197.448 -89.484 131.21 1.20638 -84.9239 -79.7501 -62.7488 -203.52 PRESSAVG: 3455200 -30.7749 11.0589 13.6651 11.0589 19.8397 -19.8259 13.6651 -19.8259 -12.7027 GPRESSAVG: 3455200 -30.5786 12.5588 12.7372 8.13 20.4566 -20.8967 16.2068 -19.2486 -13.9655 TIMING: 3455200 CPU: 10919.5, 0.0031438/step Wall: 10919.5, 0.0031438/step, 1.34904 hours remaining, 239.320312 MB of memory in use. ENERGY: 3455200 4004.2054 20580.4338 14464.6038 254.9398 -203520.3333 2736.2142 0.0000 0.0000 51998.6130 -109481.3234 298.8367 -161479.9363 -109125.7360 299.3177 -143.5130 -117.0334 761869.5650 -7.8793 -8.0292 PRESSURE: 3455400 20.0511 185.744 -50.0182 185.744 134.069 172.995 -50.0182 172.994 -166.371 GPRESSURE: 3455400 64.5833 185.501 -85.7223 202.662 84.2702 227.674 -70.4581 32.055 -90.2994 PRESSAVG: 3455400 -22.5494 -90.4223 65.7661 -90.4224 -14.7757 -32.9547 65.7662 -32.9546 -1.15412 GPRESSAVG: 3455400 -21.7378 -91.7314 67.6679 -86.3473 -16.0179 -32.7283 63.6747 -32.1052 -0.505638 TIMING: 3455400 CPU: 10920.2, 0.0031719/step Wall: 10920.2, 0.00317191/step, 1.36092 hours remaining, 239.320312 MB of memory in use. ENERGY: 3455400 4075.4163 20417.5343 14571.0367 241.9843 -203514.3435 2723.9060 0.0000 0.0000 52191.2748 -109293.1911 299.9440 -161484.4659 -108934.3080 299.3296 -4.0835 19.5180 761302.5812 -12.8264 -12.7538 PRESSURE: 3455600 -232.19 -89.8113 23.0163 -89.8111 -228.693 88.6072 23.0167 88.6067 14.1136 GPRESSURE: 3455600 -142.143 -16.5341 -37.0299 -139.417 -185.352 98.7216 85.4375 71.3817 -34.8043 PRESSAVG: 3455600 14.0166 -49.6943 33.2182 -49.6943 7.69937 -20.9965 33.2182 -20.9965 -8.27888 GPRESSAVG: 3455600 11.8763 -50.4221 32.293 -50.309 9.66908 -21.7558 34.351 -22.0281 -7.79862 TIMING: 3455600 CPU: 10920.8, 0.00316879/step Wall: 10920.8, 0.00316879/step, 1.35941 hours remaining, 239.320312 MB of memory in use. ENERGY: 3455600 4052.8894 20540.7777 14477.7970 231.9650 -203372.5349 2693.3562 0.0000 0.0000 52066.1727 -109309.5770 299.2250 -161375.7497 -108945.6424 299.2442 -148.9232 -120.7665 761645.3979 4.4790 4.5823 PRESSURE: 3455800 284.128 20.3619 228.853 20.3611 -332.659 19.8586 228.852 19.8589 -389.311 GPRESSURE: 3455800 177.326 43.879 254.372 34.7305 -201.272 -12.2515 187.349 -25.1398 -326.775 PRESSAVG: 3455800 -61.7934 16.0961 -19.1583 16.0961 -9.2132 -11.6062 -19.1584 -11.6062 19.3004 GPRESSAVG: 3455800 -60.1096 17.5915 -20.1808 15.0041 -10.1219 -10.3862 -19.5487 -10.6693 18.9965 TIMING: 3455800 CPU: 10921.5, 0.00317019/step Wall: 10921.5, 0.00317019/step, 1.35983 hours remaining, 239.320312 MB of memory in use. ENERGY: 3455800 3988.1911 20419.8765 14442.2274 240.6379 -203343.5299 2767.7598 0.0000 0.0000 52103.1768 -109381.6604 299.4377 -161484.8372 -109008.0601 299.3893 -145.9471 -116.9072 762355.0018 -17.2354 -17.0784 PRESSURE: 3456000 73.9779 116.696 127.803 116.696 140.773 106.091 127.803 106.091 183.674 GPRESSURE: 3456000 101.874 125.969 -45.4492 190.666 143.94 70.4958 274.816 101.057 224.402 PRESSAVG: 3456000 -41.1294 11.7606 15.3223 11.7606 21.8796 5.24129 15.3223 5.24125 13.6902 GPRESSAVG: 3456000 -40.7399 11.0741 17.6061 11.2002 20.89 3.76729 15.3461 6.45475 14.249 TIMING: 3456000 CPU: 10922.1, 0.00318079/step Wall: 10922.1, 0.00318079/step, 1.3642 hours remaining, 239.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3456000 3980.0315 20467.5109 14497.0879 243.1690 -202873.2027 2346.1992 0.0000 0.0000 51949.7660 -109389.4382 298.5560 -161339.2042 -109021.3779 299.4863 132.8083 156.7388 761001.6212 -1.8532 -1.8670 PRESSURE: 3456200 -296.662 -93.9395 -105.502 -93.9392 -229.208 29.3085 -105.503 29.3092 450.477 GPRESSURE: 3456200 -246.953 -65.4486 -150.773 -38.3231 -217.522 152.91 -39.868 -8.68621 461.832 PRESSAVG: 3456200 -15.4136 13.3277 27.495 13.3276 60.4462 13.8945 27.495 13.8945 19.4665 GPRESSAVG: 3456200 -16.6579 14.5644 26.6346 15.081 62.3276 16.4832 25.6419 12.0087 18.2023 TIMING: 3456200 CPU: 10922.7, 0.00314675/step Wall: 10922.7, 0.00314675/step, 1.34943 hours remaining, 239.320312 MB of memory in use. ENERGY: 3456200 4027.0040 20690.3911 14525.1571 254.8261 -203091.3589 2320.4964 0.0000 0.0000 51978.0172 -109295.4671 298.7184 -161273.4843 -108944.0169 299.3105 -25.1311 -0.8810 762264.0531 21.4997 21.2907 LDB: ============= START OF LOAD BALANCING ============== 10935.1 LDB: ============== END OF LOAD BALANCING =============== 10935.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10935.1 LDB: ============= START OF LOAD BALANCING ============== 10935.4 LDB: Largest compute 7034 load 0.031400 is 16.0% of average load 0.196049 LDB: Average compute 0.004379 is 2.2% of average load 0.196049 LDB: TIME 10935.4 LOAD: AVG 0.196049 MAX 0.21512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 10935.4 LOAD: AVG 0.196049 MAX 0.21512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.172 MB LDB: TIME 10935.4 LOAD: AVG 0.196049 MAX 0.21512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.172 MB LDB: ============== END OF LOAD BALANCING =============== 10935.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10935.4 PRESSURE: 3456400 105.799 55.4081 -214.762 55.4081 90.127 -16.5087 -214.763 -16.5096 -212.896 GPRESSURE: 3456400 40.219 17.4007 -119.24 38.2377 130.956 -28.4634 -139.979 104.055 -112.904 PRESSAVG: 3456400 -20.9052 -44.0379 28.0869 -44.0379 47.1962 39.1223 28.0869 39.1223 -8.70681 GPRESSAVG: 3456400 -20.0706 -45.4891 28.365 -44.188 46.0039 38.496 30.0119 39.808 -8.26001 TIMING: 3456400 CPU: 10923.4, 0.00320405/step Wall: 10923.4, 0.00320405/step, 1.37383 hours remaining, 238.468750 MB of memory in use. ENERGY: 3456400 3990.8184 20483.6142 14506.9041 246.5284 -203193.0445 2502.8316 0.0000 0.0000 51841.1310 -109621.2168 297.9317 -161462.3478 -109270.1643 299.2373 -5.6566 19.4237 761563.5014 5.8614 5.8911 PRESSURE: 3456600 -9.01174 -149.266 1.80822 -149.267 -183.026 252.923 1.80747 252.923 236.722 GPRESSURE: 3456600 7.8875 -185.793 54.7501 -169.026 -49.9234 224.571 -46.7955 123.536 177.63 PRESSAVG: 3456600 8.75493 -12.2343 37.1938 -12.2344 -20.198 -4.89227 37.1938 -4.89224 26.9666 GPRESSAVG: 3456600 8.22326 -12.6833 36.0849 -13.549 -18.2882 -3.95824 35.4645 -4.72631 25.8807 TIMING: 3456600 CPU: 10924, 0.0031668/step Wall: 10924, 0.0031668/step, 1.35768 hours remaining, 238.671875 MB of memory in use. ENERGY: 3456600 4012.0623 20505.4157 14439.6256 243.6949 -203199.9616 2571.0277 0.0000 0.0000 51924.4550 -109503.6804 298.4106 -161428.1354 -109141.4952 298.8771 14.8948 45.1982 762146.3998 5.1745 5.2719 PRESSURE: 3456800 34.7303 32.5039 88.9441 32.5041 132.315 247.058 88.9441 247.057 31.2567 GPRESSURE: 3456800 96.895 65.7216 16.5574 48.7227 187.445 186.443 27.6945 238.02 16.069 PRESSAVG: 3456800 -56.7629 -38.436 11.2692 -38.436 60.6786 50.0507 11.2693 50.0507 1.463 GPRESSAVG: 3456800 -57.471 -37.3363 12.4978 -37.8206 60.6568 48.9199 12.6226 51.5063 2.25665 TIMING: 3456800 CPU: 10924.6, 0.00314805/step Wall: 10924.6, 0.00314805/step, 1.34946 hours remaining, 238.671875 MB of memory in use. ENERGY: 3456800 3944.1569 20541.2706 14466.5695 252.1785 -203645.2094 2879.6240 0.0000 0.0000 52152.9350 -109408.4748 299.7236 -161561.4099 -109042.0978 299.4998 66.1006 100.1362 761665.6989 1.7929 1.8141 PRESSURE: 3457000 -36.1009 185.409 -44.2921 185.408 -226.744 -165.654 -44.2918 -165.655 40.0319 GPRESSURE: 3457000 22.4469 102.759 -140.328 138.124 -289.259 -155.397 -42.5912 -173.327 128.289 PRESSAVG: 3457000 -23.2814 -45.1225 31.5068 -45.1225 46.6429 27.5329 31.5068 27.533 -6.67245 GPRESSAVG: 3457000 -23.2716 -44.9805 30.113 -48.0067 46.2676 26.5466 31.6668 25.8467 -6.4313 TIMING: 3457000 CPU: 10925.3, 0.00317662/step Wall: 10925.3, 0.00317662/step, 1.36153 hours remaining, 238.671875 MB of memory in use. ENERGY: 3457000 3973.1518 20502.4919 14544.0456 238.2153 -203445.5258 2484.3066 0.0000 0.0000 52317.4361 -109385.8785 300.6690 -161703.3146 -109021.8617 299.6218 -74.2710 -46.1743 761567.1530 5.5630 5.5216 PRESSURE: 3457200 -297.895 3.50057 188.922 3.50083 -179.099 133.645 188.922 133.646 424.717 GPRESSURE: 3457200 -208.567 26.249 107.409 20.3756 -82.7869 183.489 345.614 62.6275 315.802 PRESSAVG: 3457200 19.6541 13.2339 22.7728 13.2339 -3.17553 17.2969 22.7728 17.2969 11.4965 GPRESSAVG: 3457200 20.3114 12.7186 23.8165 15.0702 -2.19981 18.3796 23.8849 19.4714 9.76397 TIMING: 3457200 CPU: 10925.9, 0.00315841/step Wall: 10925.9, 0.00315841/step, 1.35356 hours remaining, 238.671875 MB of memory in use. ENERGY: 3457200 4034.2335 20554.9030 14543.3513 261.2902 -203619.9679 2610.6879 0.0000 0.0000 52294.4899 -109321.0121 300.5372 -161615.5020 -108962.3751 299.8701 -17.4256 8.1493 761834.2326 9.3250 9.2918 PRESSURE: 3457400 214.071 107.154 42.0687 107.155 264.13 -45.3136 42.0681 -45.3138 19.257 GPRESSURE: 3457400 275.446 96.8203 1.45158 48.8079 274.943 -12.3245 194.083 7.29447 63.2221 PRESSAVG: 3457400 -35.0418 -7.52322 32.6704 -7.52325 21.1169 -10.1141 32.6704 -10.1141 -15.4068 GPRESSAVG: 3457400 -34.7704 -8.26962 33.8007 -6.39346 19.6381 -11.5301 32.3888 -10.5176 -13.9701 TIMING: 3457400 CPU: 10926.5, 0.00321299/step Wall: 10926.5, 0.00321299/step, 1.37676 hours remaining, 238.671875 MB of memory in use. ENERGY: 3457400 3987.3066 20561.2702 14530.9753 236.9284 -203460.9827 2571.8851 0.0000 0.0000 52399.4420 -109173.1750 301.1403 -161572.6170 -108813.2352 300.0864 165.8195 204.5369 760726.0994 -9.7772 -9.7008 PRESSURE: 3457600 -46.2104 180.034 -232.118 180.034 270.302 160.043 -232.119 160.042 275.425 GPRESSURE: 3457600 30.2988 77.5838 -249.697 153.237 274.609 233.851 -192.94 10.516 279.269 PRESSAVG: 3457600 -48.5843 21.9581 16.0252 21.958 71.2857 -0.52401 16.0251 -0.52411 -1.80118 GPRESSAVG: 3457600 -49.5723 20.2586 14.0569 20.5031 71.9189 -0.305437 15.6211 -1.50267 -0.461825 TIMING: 3457600 CPU: 10927.2, 0.00317841/step Wall: 10927.2, 0.00317841/step, 1.36177 hours remaining, 238.671875 MB of memory in use. ENERGY: 3457600 3972.1401 20562.3288 14448.1149 242.1947 -203141.6570 2469.4025 0.0000 0.0000 52019.2865 -109428.1895 298.9556 -161447.4760 -109066.5673 299.5905 166.5055 194.7257 761883.1239 6.9667 7.2949 PRESSURE: 3457800 -229.076 -84.4038 40.7677 -84.4044 23.9207 -91.2944 40.7672 -91.2937 -110.305 GPRESSURE: 3457800 -215.001 -46.0757 46.6707 -31.7895 132.365 -175.339 83.1977 29.9683 -159.131 PRESSAVG: 3457800 -17.1406 -40.1462 -49.2453 -40.1462 20.0738 -56.1233 -49.2452 -56.1234 4.76507 GPRESSAVG: 3457800 -15.589 -37.4463 -49.6399 -40.132 19.3483 -56.5314 -51.5296 -56.3795 3.9592 TIMING: 3457800 CPU: 10927.8, 0.00314789/step Wall: 10927.8, 0.00314789/step, 1.34852 hours remaining, 238.671875 MB of memory in use. ENERGY: 3457800 3969.7399 20485.5459 14467.1869 242.7809 -203413.5222 2609.9094 0.0000 0.0000 52229.3732 -109408.9860 300.1629 -161638.3592 -109042.1918 299.1771 -105.1532 -80.5892 763168.9925 2.5661 2.5728 PRESSURE: 3458000 -288.051 -124.028 -23.999 -124.027 -72.1752 -332.721 -23.9992 -332.72 187.591 GPRESSURE: 3458000 -237.718 -158.764 -17.4068 -66.0339 11.4881 -299.188 -68.7792 -112.788 129.72 PRESSAVG: 3458000 -7.74698 -19.7013 -23.3784 -19.7013 30.4138 -26.1427 -23.3784 -26.1428 16.737 GPRESSAVG: 3458000 -8.58773 -20.1373 -22.8085 -18.846 31.3823 -25.7645 -20.7998 -26.451 16.4343 TIMING: 3458000 CPU: 10928.4, 0.00316627/step Wall: 10928.4, 0.00316627/step, 1.35622 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3458000 3988.0599 20438.7836 14576.7169 252.3678 -203624.1002 2652.8736 0.0000 0.0000 52183.1374 -109532.1611 299.8972 -161715.2985 -109167.0258 299.2944 -57.5452 -32.1701 763030.1865 13.1346 13.0763 PRESSURE: 3458200 -10.2714 -81.894 -93.7228 -81.8939 -90.9174 -75.6271 -93.7223 -75.6274 181.732 GPRESSURE: 3458200 -61.3404 135.694 -67.8597 -129.101 44.7578 -111.719 10.9333 -41.4436 190.614 PRESSAVG: 3458200 -23.9958 -11.7076 20.546 -11.7076 1.43429 15.3834 20.5459 15.3834 19.0911 GPRESSAVG: 3458200 -22.8856 -10.6298 19.4104 -11.9844 0.456723 16.0639 20.172 16.537 19.9662 TIMING: 3458200 CPU: 10929.1, 0.00316885/step Wall: 10929.1, 0.00316885/step, 1.35715 hours remaining, 238.671875 MB of memory in use. ENERGY: 3458200 3986.2070 20603.0772 14493.8567 240.8827 -203360.2221 2623.3828 0.0000 0.0000 51817.8140 -109595.0016 297.7977 -161412.8156 -109234.9659 299.2118 26.8479 58.0106 761911.8251 -1.1568 -0.8209 PRESSURE: 3458400 196.708 104.529 222.211 104.53 62.6461 15.4371 222.21 15.4358 331.961 GPRESSURE: 3458400 280.585 91.8826 205.833 -45.1223 142.663 46.1396 246.05 7.34573 255.497 PRESSAVG: 3458400 10.2537 -86.4899 7.18288 -86.4899 20.1041 -19.7102 7.18288 -19.7102 9.88878 GPRESSAVG: 3458400 9.71814 -87.915 9.57216 -86.0817 21.5203 -20.5755 6.98129 -19.0454 8.98212 TIMING: 3458400 CPU: 10929.7, 0.00315437/step Wall: 10929.7, 0.00315437/step, 1.35077 hours remaining, 238.671875 MB of memory in use. ENERGY: 3458400 4036.4329 20394.9415 14478.1571 243.5365 -203649.6167 2656.4288 0.0000 0.0000 52056.1101 -109784.0099 299.1672 -161840.1200 -109423.4495 299.2200 197.1049 226.2485 761607.2558 13.4155 13.4068 PRESSURE: 3458600 167.409 -148.838 -177.491 -148.839 -58.7921 -58.8945 -177.49 -58.8946 -98.0528 GPRESSURE: 3458600 129.842 -65.7166 -283.576 -93.3055 12.1196 -73.0434 -197.738 90.9055 -55.1415 PRESSAVG: 3458600 7.88111 -35.4783 2.53351 -35.4784 4.43367 -71.2242 2.53351 -71.2242 11.5251 GPRESSAVG: 3458600 9.46921 -34.2099 0.523798 -36.9146 3.40303 -70.5764 1.67658 -73.6283 10.3264 TIMING: 3458600 CPU: 10930.3, 0.00316583/step Wall: 10930.3, 0.00316583/step, 1.3555 hours remaining, 238.671875 MB of memory in use. ENERGY: 3458600 4040.0033 20324.3982 14465.1814 241.9459 -203632.2793 2725.8757 0.0000 0.0000 52042.5939 -109792.2808 299.0895 -161834.8747 -109436.5283 298.5979 3.5215 28.9400 762103.7296 7.9466 7.7329 PRESSURE: 3458800 37.1887 -52.3023 34.797 -52.3018 50.1605 203.864 34.7968 203.863 234.076 GPRESSURE: 3458800 -9.48853 -94.5029 23.8219 8.81201 171.145 109.904 -92.1941 184.219 264.822 PRESSAVG: 3458800 -14.7126 -35.0544 12.3173 -35.0544 -0.487614 -53.0236 12.3173 -53.0237 -10.5202 GPRESSAVG: 3458800 -16.1356 -34.2008 13.1727 -35.4332 0.748045 -53.8353 12.0196 -52.4432 -9.98905 TIMING: 3458800 CPU: 10931, 0.0031525/step Wall: 10931, 0.0031525/step, 1.34962 hours remaining, 238.671875 MB of memory in use. ENERGY: 3458800 3947.2378 20544.6855 14444.1962 232.2703 -203469.6595 2722.3910 0.0000 0.0000 51817.6458 -109761.2328 297.7967 -161578.8786 -109402.7689 298.3542 107.1416 142.1595 761444.7495 -8.5734 -8.4589 PRESSURE: 3459000 -152.377 18.9795 -92.5952 18.9802 -56.8204 -150.254 -92.5942 -150.254 -145.323 GPRESSURE: 3459000 -127.817 64.0605 -4.96262 -13.8616 -0.852644 -125.455 6.15356 -160.373 -131.258 PRESSAVG: 3459000 -57.9688 -6.1889 46.6509 -6.1889 58.9402 -50.4571 46.6509 -50.4571 2.41525 GPRESSAVG: 3459000 -58.7964 -9.00704 46.9802 -6.24243 58.8849 -49.9831 47.9445 -49.9478 2.80086 TIMING: 3459000 CPU: 10931.6, 0.00316312/step Wall: 10931.6, 0.00316312/step, 1.35399 hours remaining, 238.671875 MB of memory in use. ENERGY: 3459000 4033.4693 20384.7601 14387.7421 236.5065 -203342.8175 2486.5403 0.0000 0.0000 52059.4544 -109754.3448 299.1864 -161813.7993 -109395.4793 298.1659 -118.1733 -86.6427 762272.6101 1.1289 0.9631 PRESSURE: 3459200 224.768 -28.288 -127.568 -28.2875 224.729 22.4309 -127.568 22.4316 50.1736 GPRESSURE: 3459200 339.307 -60.2334 -120.208 53.7923 224.273 17.2455 -161.588 37.9932 25.287 PRESSAVG: 3459200 8.46836 -44.7879 -29.7582 -44.788 8.78708 -1.05934 -29.7581 -1.05927 8.14432 GPRESSAVG: 3459200 8.27054 -42.4876 -29.6329 -43.253 7.62067 -0.431449 -31.9971 -0.785822 9.49936 TIMING: 3459200 CPU: 10932.2, 0.00315069/step Wall: 10932.2, 0.00315069/step, 1.3485 hours remaining, 238.671875 MB of memory in use. ENERGY: 3459200 3950.3058 20430.3526 14360.6302 236.6681 -203406.4662 2708.2227 0.0000 0.0000 52125.9607 -109594.3260 299.5686 -161720.2867 -109228.9778 298.4822 166.5569 196.2892 760274.5923 8.4666 8.4635 PRESSURE: 3459400 37.5874 -68.1787 93.0321 -68.1783 62.2205 -137.73 93.0321 -137.731 309.948 GPRESSURE: 3459400 2.11253 -14.6104 65.0201 -9.9947 177.071 -119.415 24.8657 -26.7115 303.495 PRESSAVG: 3459400 -29.3147 13.4422 1.94982 13.4421 61.238 -29.1807 1.94984 -29.1808 -0.814454 GPRESSAVG: 3459400 -28.1098 12.261 1.25341 15.2856 63.447 -28.7037 4.7855 -30.0334 -3.54389 TIMING: 3459400 CPU: 10932.8, 0.00314675/step Wall: 10932.8, 0.00314674/step, 1.34663 hours remaining, 238.671875 MB of memory in use. ENERGY: 3459400 3961.4171 20625.2277 14453.3783 251.4753 -203604.0769 2771.1639 0.0000 0.0000 51860.6002 -109680.8145 298.0436 -161541.4147 -109326.2553 298.8963 136.5854 160.8926 760989.7587 10.3696 10.5978 PRESSURE: 3459600 -218.786 -84.0297 116.084 -84.0301 -174.232 16.4992 116.084 16.4999 196.036 GPRESSURE: 3459600 -43.5769 -130.751 79.5852 -1.10593 -148.717 43.0144 155.051 -79.9258 83.9116 PRESSAVG: 3459600 41.1302 -13.0669 -14.5025 -13.0669 -52.4938 -17.9515 -14.5024 -17.9515 -22.0144 GPRESSAVG: 3459600 41.5655 -12.1477 -13.7858 -14.6423 -54.4238 -17.0173 -16.9393 -17.447 -20.9331 TIMING: 3459600 CPU: 10933.5, 0.00316789/step Wall: 10933.5, 0.00316789/step, 1.3555 hours remaining, 238.671875 MB of memory in use. ENERGY: 3459600 3946.5552 20608.6806 14439.0427 260.6209 -203195.9090 2353.0353 0.0000 0.0000 51946.0466 -109641.9276 298.5346 -161587.9742 -109280.4896 299.0143 -65.6609 -36.1275 761127.0471 -11.1260 -11.2638 PRESSURE: 3459800 94.1139 90.6924 -125.335 90.6921 106.74 266.94 -125.335 266.94 229.033 GPRESSURE: 3459800 200.105 8.37768 -55.061 72.4496 150.531 243.492 -60.4479 270.979 175.951 PRESSAVG: 3459800 1.98395 -29.2867 -21.4491 -29.2867 -1.65203 -3.31864 -21.4491 -3.31857 15.5758 GPRESSAVG: 3459800 0.636592 -30.0377 -21.7223 -29.8975 -0.0780238 -5.46589 -21.0222 -2.79318 15.5143 TIMING: 3459800 CPU: 10934.1, 0.00318928/step Wall: 10934.1, 0.00318928/step, 1.36448 hours remaining, 238.671875 MB of memory in use. ENERGY: 3459800 3962.7021 20565.8877 14492.2846 238.3356 -203207.6542 2561.4980 0.0000 0.0000 51934.2512 -109452.6949 298.4669 -161386.9462 -109097.2737 298.3941 143.2956 175.5288 760214.5102 5.3026 5.3576 PRESSURE: 3460000 45.1654 42.3825 62.9196 42.3821 278.272 -108.225 62.92 -108.226 80.875 GPRESSURE: 3460000 76.4149 3.15101 85.4667 143.75 351.619 -54.7145 -16.7261 -194.766 61.647 PRESSAVG: 3460000 -10.8245 24.4116 10.0228 24.4116 36.9513 2.44489 10.0228 2.44486 -3.68646 GPRESSAVG: 3460000 -9.3605 24.3029 9.34931 25.4268 35.6681 4.82793 12.042 1.38651 -3.55019 TIMING: 3460000 CPU: 10934.8, 0.00317419/step Wall: 10934.8, 0.00317419/step, 1.35785 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3460000 4008.3091 20438.5460 14477.2903 240.4311 -203391.0345 2837.2283 0.0000 0.0000 51764.4461 -109624.7836 297.4910 -161389.2297 -109253.5707 298.9155 134.7707 163.2270 760456.0012 7.4801 7.5858 PRESSURE: 3460200 336.265 -310.09 102.646 -310.09 6.9587 128.844 102.646 128.845 167.527 GPRESSURE: 3460200 385.25 -109.31 41.5314 -318.318 60.7416 139.975 -73.6239 66.6102 151.792 PRESSAVG: 3460200 -55.5802 29.917 -12.2189 29.917 52.5243 1.02038 -12.2189 1.02043 6.96589 GPRESSAVG: 3460200 -56.6994 33.2276 -12.9293 28.1021 53.3845 0.505138 -15.059 2.20449 7.73966 TIMING: 3460200 CPU: 10935.4, 0.00315071/step Wall: 10935.4, 0.00315071/step, 1.34763 hours remaining, 238.671875 MB of memory in use. ENERGY: 3460200 3949.1074 20412.2842 14494.2644 259.6061 -202966.6616 2570.9252 0.0000 0.0000 51674.4411 -109606.0332 296.9737 -161280.4743 -109243.4908 298.3959 170.2502 199.2613 762446.7734 1.3033 1.4749 LDB: ============= START OF LOAD BALANCING ============== 10947.8 LDB: ============== END OF LOAD BALANCING =============== 10947.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10947.8 LDB: ============= START OF LOAD BALANCING ============== 10948.1 LDB: Largest compute 7024 load 0.031056 is 15.8% of average load 0.196133 LDB: Average compute 0.004360 is 2.2% of average load 0.196133 LDB: TIME 10948.1 LOAD: AVG 0.196133 MAX 0.217052 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 10948.1 LOAD: AVG 0.196133 MAX 0.217052 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 10948.1 LOAD: AVG 0.196133 MAX 0.217052 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 10948.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10948.1 PRESSURE: 3460400 -128.091 -161.189 54.3792 -161.188 -157.894 -58.9535 54.3796 -58.9528 -11.2991 GPRESSURE: 3460400 -76.1578 -68.1933 22.6173 -175.33 -130.072 10.6593 -34.3376 -28.1622 -26.1957 PRESSAVG: 3460400 -15.7269 48.1086 8.76578 48.1086 40.2127 31.59 8.7658 31.59 -9.36726 GPRESSAVG: 3460400 -13.873 45.9947 9.597 50.0054 38.4619 32.6929 8.07051 29.3625 -10.1865 TIMING: 3460400 CPU: 10936, 0.00320508/step Wall: 10936, 0.00320508/step, 1.37071 hours remaining, 237.843750 MB of memory in use. ENERGY: 3460400 3955.6436 20582.6144 14439.1627 250.9757 -203146.5243 2494.3128 0.0000 0.0000 51837.0392 -109586.7759 297.9082 -161423.8151 -109228.8816 298.4467 -99.0946 -77.4752 762056.6671 5.0395 4.8008 PRESSURE: 3460600 226.74 262.498 -111.44 262.497 88.8286 27.3783 -111.439 27.3784 -90.2826 GPRESSURE: 3460600 261.207 144.94 -22.8079 282.741 176.118 161.953 -88.6908 30.0849 -147.55 PRESSAVG: 3460600 -2.13044 32.146 -0.578974 32.146 39.5325 25.3842 -0.579012 25.3842 -3.04283 GPRESSAVG: 3460600 -3.96585 29.8843 -0.217027 32.3191 41.212 25.7165 1.59997 28.0702 -2.91606 TIMING: 3460600 CPU: 10936.7, 0.00314089/step Wall: 10936.7, 0.00314089/step, 1.34308 hours remaining, 237.843750 MB of memory in use. ENERGY: 3460600 3997.3470 20436.2390 14401.8937 226.1340 -202991.9178 2556.4662 0.0000 0.0000 51708.4961 -109665.3419 297.1694 -161373.8380 -109303.5692 298.6406 75.0954 96.5917 763014.1388 11.4531 11.4434 PRESSURE: 3460800 -165.439 -33.0508 -122.773 -33.0505 163.804 217.825 -122.773 217.825 11.3419 GPRESSURE: 3460800 -118.63 86.5357 -76.6282 -2.21719 200.279 272.298 -173.346 127.464 26.5344 PRESSAVG: 3460800 -17.2063 -9.20212 4.04839 -9.2021 -8.2792 43.708 4.04837 43.7081 11.7927 GPRESSAVG: 3460800 -15.6454 -7.1248 2.54587 -10.7405 -9.33457 40.8304 3.71758 42.613 11.479 TIMING: 3460800 CPU: 10937.3, 0.00314057/step Wall: 10937.3, 0.00314057/step, 1.34277 hours remaining, 237.843750 MB of memory in use. ENERGY: 3460800 3981.9682 20478.6357 14464.7845 255.2347 -203299.4580 2677.3321 0.0000 0.0000 51982.1880 -109459.3147 298.7423 -161441.5027 -109105.2672 298.7667 3.2356 36.0610 760140.4138 -4.5643 -4.5004 PRESSURE: 3461000 -317.527 60.3317 -83.5964 60.3319 37.9322 126.81 -83.5955 126.809 -79.8094 GPRESSURE: 3461000 -238.699 151.427 -117.865 -14.0474 -2.59844 149.372 -0.824324 47.2051 -32.7423 PRESSAVG: 3461000 -33.9012 -33.8073 -21.6548 -33.8073 1.5869 38.3894 -21.6548 38.3895 -17.6297 GPRESSAVG: 3461000 -34.6687 -34.7442 -19.8177 -32.742 2.01098 38.3004 -21.5485 39.4577 -17.4097 TIMING: 3461000 CPU: 10937.9, 0.00314709/step Wall: 10937.9, 0.00314709/step, 1.34538 hours remaining, 237.843750 MB of memory in use. ENERGY: 3461000 3913.0334 20426.4753 14509.7633 250.7448 -203041.9586 2392.3472 0.0000 0.0000 52162.1375 -109387.4570 299.7765 -161549.5945 -109021.6523 299.1853 -119.8015 -91.3467 761296.0724 -16.6480 -16.6891 PRESSURE: 3461200 -183.878 -114.731 -53.4495 -114.731 -327.22 4.42567 -53.4499 4.42632 -176.902 GPRESSURE: 3461200 -158.795 -139.153 -56.5638 -72.3929 -239.599 -1.51324 -5.50335 -81.0984 -183.497 PRESSAVG: 3461200 -11.4862 -64.4097 6.73425 -64.4097 21.2722 -23.127 6.73431 -23.127 -17.4637 GPRESSAVG: 3461200 -11.8706 -65.2638 6.47542 -65.2848 21.4645 -23.6071 7.89855 -23.9142 -17.0153 TIMING: 3461200 CPU: 10938.5, 0.00313326/step Wall: 10938.5, 0.00313326/step, 1.33929 hours remaining, 237.843750 MB of memory in use. ENERGY: 3461200 4002.9992 20364.9468 14382.1857 259.7187 -203109.4884 2590.1062 0.0000 0.0000 52029.7288 -109479.8029 299.0156 -161509.5318 -109118.5564 299.3898 -229.3334 -193.9637 761088.5462 -2.5592 -2.4738 PRESSURE: 3461400 83.3654 -81.5569 86.3777 -81.5571 451.272 54.2357 86.3779 54.2345 47.0757 GPRESSURE: 3461400 126.411 -183.889 158.908 -52.5356 423.18 -8.08773 -27.1981 53.4834 125.448 PRESSAVG: 3461400 1.69712 -37.1217 31.2768 -37.1217 40.4871 32.7346 31.2768 32.7345 11.5634 GPRESSAVG: 3461400 1.05562 -33.3947 30.043 -37.4709 40.1952 33.8945 29.1081 31.3512 12.2845 TIMING: 3461400 CPU: 10939.2, 0.003132/step Wall: 10939.2, 0.003132/step, 1.33858 hours remaining, 237.843750 MB of memory in use. ENERGY: 3461400 4059.3131 20364.3590 14471.6099 254.5342 -203219.4702 2656.1672 0.0000 0.0000 52057.1074 -109356.3794 299.1729 -161413.4868 -108997.3337 298.8897 193.9045 225.0128 760916.1447 17.9159 17.8451 PRESSURE: 3461600 -87.9907 30.6455 50.3317 30.6453 -67.0719 -46.594 50.3308 -46.5937 1.77435 GPRESSURE: 3461600 -89.0647 -65.1369 67.6711 14.7712 -3.10572 -68.21 164.924 -115.833 39.2356 PRESSAVG: 3461600 -13.7927 -27.6082 -5.77269 -27.6082 7.88622 -26.5693 -5.77274 -26.5693 5.3118 GPRESSAVG: 3461600 -14.1215 -32.9781 -6.05623 -26.4088 8.84493 -27.0553 -3.65445 -25.019 4.9251 TIMING: 3461600 CPU: 10939.8, 0.0031355/step Wall: 10939.8, 0.0031355/step, 1.3399 hours remaining, 237.843750 MB of memory in use. ENERGY: 3461600 3966.8107 20409.8289 14545.0655 240.8787 -203120.2524 2544.1500 0.0000 0.0000 52143.9777 -109269.5409 299.6722 -161413.5186 -108911.8853 299.3150 -51.0961 -17.6449 759567.3457 -0.1982 -0.1172 PRESSURE: 3461800 393.064 -41.3792 -81.3222 -41.38 -34.677 -364.667 -81.3213 -364.667 -139.427 GPRESSURE: 3461800 381.189 -71.3937 -108.505 2.4655 101.334 -372.432 -73.5958 -319.379 -175.307 PRESSAVG: 3461800 -5.69716 -61.2218 23.4587 -61.2218 12.9418 -32.2204 23.4586 -32.2205 -20.5162 GPRESSAVG: 3461800 -3.9368 -59.5271 23.6508 -58.1089 12.1925 -31.6683 21.9046 -31.3664 -21.2437 TIMING: 3461800 CPU: 10940.4, 0.00313572/step Wall: 10940.4, 0.00313572/step, 1.33982 hours remaining, 237.843750 MB of memory in use. ENERGY: 3461800 4004.8315 20426.1903 14443.9928 246.0389 -203560.4930 3012.6904 0.0000 0.0000 52249.1242 -109177.6249 300.2764 -161426.7491 -108818.5765 299.6843 72.9867 102.4053 761657.2638 -4.4239 -4.3293 PRESSURE: 3462000 66.5531 -71.1822 41.2576 -71.1816 -181.823 101.638 41.2565 101.638 580.217 GPRESSURE: 3462000 91.8861 -94.37 64.2698 -52.9923 -188.503 128.84 62.0241 -12.3359 642.411 PRESSAVG: 3462000 43.0151 -32.091 13.1718 -32.0909 0.0843786 -30.3607 13.1717 -30.3606 16.0145 GPRESSAVG: 3462000 41.8068 -29.3619 12.8339 -35.8381 0.344921 -30.1121 13.6683 -33.0196 16.7097 TIMING: 3462000 CPU: 10941.1, 0.00315527/step Wall: 10941.1, 0.00315527/step, 1.348 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3462000 3916.2407 20389.9242 14424.4309 258.8396 -203034.0954 2639.7423 0.0000 0.0000 52108.0648 -109296.8528 299.4658 -161404.9176 -108926.9148 299.6862 154.9820 181.9311 761614.5016 19.7047 19.6205 PRESSURE: 3462200 124.962 15.2678 142.827 15.2682 -183.085 59.3837 142.826 59.3831 -49.8559 GPRESSURE: 3462200 18.596 -102.049 49.139 26.9722 -56.8417 -17.1578 185.2 63.3775 12.2989 PRESSAVG: 3462200 26.7427 -33.4667 32.5348 -33.4667 -21.1729 -57.1586 32.5348 -57.1586 9.5319 GPRESSAVG: 3462200 25.2663 -33.3947 32.0005 -32.9549 -19.6962 -57.3171 33.7125 -56.4357 9.24972 TIMING: 3462200 CPU: 10941.7, 0.00314227/step Wall: 10941.7, 0.00314227/step, 1.34227 hours remaining, 237.843750 MB of memory in use. ENERGY: 3462200 4046.4987 20501.3667 14411.4580 258.5648 -203099.0839 2554.2927 0.0000 0.0000 51805.0087 -109521.8942 297.7241 -161326.9030 -109168.6669 298.8502 -35.9928 -8.6489 763128.9691 5.0339 4.9399 PRESSURE: 3462400 -106.07 69.5584 -198.992 69.5585 166.938 3.67817 -198.992 3.67802 -71.0428 GPRESSURE: 3462400 -55.4224 41.1213 -214.832 -23.9584 205.229 -26.3857 -164.907 63.0095 -76.8852 PRESSAVG: 3462400 -0.590299 5.49216 20.7165 5.49215 3.1154 -64.5934 20.7165 -64.5935 -13.607 GPRESSAVG: 3462400 2.3962 3.71497 20.8982 5.36655 0.880773 -65.437 19.0087 -62.4036 -14.1864 TIMING: 3462400 CPU: 10942.3, 0.0031433/step Wall: 10942.3, 0.0031433/step, 1.34254 hours remaining, 237.843750 MB of memory in use. ENERGY: 3462400 3976.0824 20449.0748 14489.2627 239.5537 -203703.6926 2907.9620 0.0000 0.0000 51898.1329 -109743.6241 298.2593 -161641.7570 -109385.1123 298.3109 -3.3915 24.3073 762027.6154 -3.6940 -3.6365 PRESSURE: 3462600 186.369 7.57616 31.5248 7.57759 43.9341 92.9334 31.5257 92.9336 -596.072 GPRESSURE: 3462600 143.333 41.1792 17.8487 111.92 35.383 34.2746 -57.8026 31.7129 -475.114 PRESSAVG: 3462600 18.9791 -12.3429 -20.2425 -12.3429 -1.73295 -41.4583 -20.2425 -41.4582 1.65425 GPRESSAVG: 3462600 17.6121 -10.8204 -19.7183 -12.5041 -1.52525 -38.4232 -20.5106 -43.3551 3.54724 TIMING: 3462600 CPU: 10942.9, 0.0031424/step Wall: 10942.9, 0.0031424/step, 1.34198 hours remaining, 237.843750 MB of memory in use. ENERGY: 3462600 3947.6738 20281.8267 14420.3233 242.4195 -203600.0376 2778.8272 0.0000 0.0000 51951.0641 -109977.9030 298.5635 -161928.9671 -109614.5286 298.1551 -121.9231 -98.7991 761429.3366 6.3001 6.5447 PRESSURE: 3462800 276.753 22.4508 -29.9105 22.4503 -160.01 -142.467 -29.9109 -142.466 -290.667 GPRESSURE: 3462800 346.867 2.7316 -44.5455 64.6626 -43.4511 -65.9161 13.9104 -212.995 -359.197 PRESSAVG: 3462800 31.9854 -12.212 -44.3843 -12.212 -33.8884 -21.0661 -44.3843 -21.066 0.955757 GPRESSAVG: 3462800 32.5795 -13.5435 -43.6769 -11.2148 -33.9961 -22.5309 -43.6098 -20.8483 0.27169 TIMING: 3462800 CPU: 10943.6, 0.00313074/step Wall: 10943.6, 0.00313074/step, 1.33683 hours remaining, 237.843750 MB of memory in use. ENERGY: 3462800 4024.9486 20193.3579 14364.8665 257.2784 -203700.4130 2805.2160 0.0000 0.0000 52085.1334 -109969.6122 299.3340 -162054.7457 -109605.9688 298.1023 -57.9748 -18.5939 762199.1033 -0.3157 -0.3816 PRESSURE: 3463000 -77.3842 -13.3077 99.7341 -13.3081 6.16884 125.272 99.7339 125.272 -46.4634 GPRESSURE: 3463000 -64.999 -45.8091 91.3034 59.7067 84.0086 95.8215 149.74 197.91 -44.5634 PRESSAVG: 3463000 30.9757 -21.6957 29.3977 -21.6957 20.7469 -42.5557 29.3977 -42.5557 -21.1592 GPRESSAVG: 3463000 31.8944 -20.3022 28.8195 -21.6244 21.2115 -43.0537 28.8744 -42.4453 -22.344 TIMING: 3463000 CPU: 10944.2, 0.0031205/step Wall: 10944.2, 0.0031205/step, 1.33228 hours remaining, 237.843750 MB of memory in use. ENERGY: 3463000 3997.8539 20382.6224 14449.3632 242.9278 -203008.5830 2354.7930 0.0000 0.0000 51617.2630 -109963.7596 296.6451 -161581.0226 -109602.6368 297.8505 -39.2263 -8.5179 761298.0019 10.1878 10.2540 PRESSURE: 3463200 -49.5174 2.99049 -103.358 2.9893 48.4013 -59.9634 -103.357 -59.9636 -6.81037 GPRESSURE: 3463200 -51.0072 -51.88 -82.2789 32.7578 44.7766 -95.4817 -21.9248 0.341507 79.1656 PRESSAVG: 3463200 48.4509 -12.67 32.5426 -12.67 -5.35478 13.3106 32.5426 13.3106 -24.8005 GPRESSAVG: 3463200 48.6148 -11.6477 33.2439 -12.308 -7.27952 10.6842 34.5754 16.1149 -23.6986 TIMING: 3463200 CPU: 10944.8, 0.00314736/step Wall: 10944.8, 0.00314736/step, 1.34357 hours remaining, 237.843750 MB of memory in use. ENERGY: 3463200 3881.6453 20618.0185 14443.4542 271.4997 -203486.0115 2518.4344 0.0000 0.0000 51980.8359 -109772.1235 298.7346 -161752.9594 -109416.1055 298.2865 -2.6421 24.3116 760310.2086 6.0986 5.8789 PRESSURE: 3463400 70.0979 61.1254 -32.5728 61.1254 -198.389 -40.2128 -32.5724 -40.2116 354.937 GPRESSURE: 3463400 85.4711 117.992 7.98734 57.8727 -89.5191 -75.0034 -6.63657 -184.899 310.119 PRESSAVG: 3463400 -7.42779 -53.8094 -10.3174 -53.8095 -14.8287 -31.6296 -10.3173 -31.6295 7.77493 GPRESSAVG: 3463400 -7.8436 -54.2428 -9.14255 -52.6121 -13.2309 -29.9469 -9.76481 -33.3508 6.6383 TIMING: 3463400 CPU: 10945.4, 0.00313285/step Wall: 10945.4, 0.00313284/step, 1.3372 hours remaining, 237.843750 MB of memory in use. ENERGY: 3463400 3999.7132 20537.4935 14413.1719 221.0625 -203449.0007 2619.3806 0.0000 0.0000 52025.1812 -109632.9978 298.9894 -161658.1790 -109277.8079 298.1930 75.5487 102.0237 762341.6320 -4.8272 -4.8121 PRESSURE: 3463600 -44.1611 -75.9401 -68.8315 -75.9414 350.526 345.572 -68.8304 345.573 300.319 GPRESSURE: 3463600 16.1427 -22.7251 -80.9972 -42.2288 371.6 370.959 -47.0137 248.086 298.045 PRESSAVG: 3463600 -35.6592 -92.3889 16.5294 -92.3889 60.2402 -16.8341 16.5294 -16.834 5.00672 GPRESSAVG: 3463600 -35.5225 -92.7764 15.458 -93.9949 59.2328 -16.9456 14.9428 -16.1154 5.84332 TIMING: 3463600 CPU: 10946.1, 0.003154/step Wall: 10946.1, 0.003154/step, 1.34606 hours remaining, 237.843750 MB of memory in use. ENERGY: 3463600 3961.0469 20374.0166 14543.9559 242.3923 -203260.6682 2699.7361 0.0000 0.0000 51952.3686 -109487.1516 298.5710 -161439.5203 -109124.3611 298.5484 202.2279 228.5960 763757.9017 9.8626 9.8512 PRESSURE: 3463800 -55.0158 -61.5486 -60.96 -61.5497 112.753 264.082 -60.9599 264.081 -206.859 GPRESSURE: 3463800 -8.26884 -20.4932 -113.868 -17.2103 98.023 288.487 -100.941 269.338 -135.349 PRESSAVG: 3463800 3.05059 -21.6003 29.5179 -21.6002 5.62895 -36.5789 29.518 -36.5789 -14.6516 GPRESSAVG: 3463800 3.8538 -21.3983 28.8132 -20.2724 5.29186 -34.8584 31.2275 -37.7457 -15.1181 TIMING: 3463800 CPU: 10946.7, 0.00317914/step Wall: 10946.7, 0.00317914/step, 1.35661 hours remaining, 237.843750 MB of memory in use. ENERGY: 3463800 3964.2094 20444.7744 14572.4188 244.6837 -203003.2409 2446.4938 0.0000 0.0000 51729.7743 -109600.8865 297.2917 -161330.6608 -109245.8110 298.5378 -49.7075 -15.1983 762428.2386 -1.9907 -1.9908 PRESSURE: 3464000 77.4732 -51.2681 34.7775 -51.2681 -687.462 12.559 34.7778 12.5588 119.145 GPRESSURE: 3464000 7.66559 -86.6117 36.9668 -1.16886 -512.422 -90.8551 34.2718 171.163 93.7159 PRESSAVG: 3464000 -28.3604 -77.5844 61.4717 -77.5843 19.3325 -95.4359 61.4717 -95.4359 3.43379 GPRESSAVG: 3464000 -29.6105 -77.6358 61.3142 -77.9546 20.4862 -94.7365 60.6868 -93.3871 3.58434 TIMING: 3464000 CPU: 10947.3, 0.00316238/step Wall: 10947.3, 0.00316238/step, 1.34928 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3464000 3992.6304 20323.8146 14526.9744 281.8889 -203077.3716 2567.0307 0.0000 0.0000 51736.0674 -109648.9652 297.3279 -161385.0326 -109292.2872 298.5826 -163.6146 -137.0137 762511.2816 -1.8647 -1.8466 PRESSURE: 3464200 28.9057 -191.946 9.60314 -191.946 63.3521 -60.5869 9.60266 -60.5861 214.711 GPRESSURE: 3464200 18.8645 -177.239 -88.9992 -280.952 191.088 -67.744 181.537 24.39 188.513 PRESSAVG: 3464200 -12.935 -19.7854 28.3759 -19.7854 37.5168 -48.2049 28.376 -48.2051 -2.14695 GPRESSAVG: 3464200 -13.0187 -20.8964 29.7044 -20.6379 37.9866 -49.3517 26.7004 -49.4405 -2.39993 TIMING: 3464200 CPU: 10948, 0.00315048/step Wall: 10948, 0.00315048/step, 1.34403 hours remaining, 237.843750 MB of memory in use. ENERGY: 3464200 3927.6505 20408.0769 14451.8989 251.8221 -203472.3087 2768.8335 0.0000 0.0000 51917.7181 -109746.3087 298.3718 -161664.0268 -109390.7967 298.8045 102.3231 132.8219 759555.5918 7.4783 7.5227 LDB: ============= START OF LOAD BALANCING ============== 10960.4 LDB: ============== END OF LOAD BALANCING =============== 10960.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10960.4 LDB: ============= START OF LOAD BALANCING ============== 10960.7 LDB: Largest compute 7024 load 0.032622 is 16.6% of average load 0.196122 LDB: Average compute 0.004365 is 2.2% of average load 0.196122 LDB: TIME 10960.7 LOAD: AVG 0.196122 MAX 0.215773 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 10960.7 LOAD: AVG 0.196122 MAX 0.215773 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 10960.7 LOAD: AVG 0.196122 MAX 0.215773 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 10960.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10960.7 PRESSURE: 3464400 -49.446 23.1622 -103.077 23.1618 -58.6232 -97.9231 -103.077 -97.9224 194.136 GPRESSURE: 3464400 -34.0317 46.74 -129.393 37.1945 54.8738 -150.447 -125.686 -25.2493 167.996 PRESSAVG: 3464400 37.6654 -10.7571 -23.9017 -10.7571 -14.0437 16.4171 -23.9017 16.4171 -24.2601 GPRESSAVG: 3464400 37.6374 -8.83515 -25.4204 -10.6951 -15.0034 15.9476 -22.3359 15.2031 -23.9233 TIMING: 3464400 CPU: 10948.6, 0.00321542/step Wall: 10948.6, 0.00321542/step, 1.37155 hours remaining, 237.843750 MB of memory in use. ENERGY: 3464400 3982.9247 20438.4519 14498.7082 247.6621 -202955.3582 2223.2359 0.0000 0.0000 51640.2828 -109924.0925 296.7774 -161564.3754 -109572.3209 298.2039 28.6890 62.9459 761905.2306 -0.2128 -0.4298 PRESSURE: 3464600 -96.5095 20.6012 229.112 20.5997 83.8107 200.18 229.112 200.18 414.441 GPRESSURE: 3464600 2.34594 -33.8945 158.445 123.87 91.75 193.296 163.595 89.8779 401.138 PRESSAVG: 3464600 9.75388 -27.3404 23.6426 -27.3404 11.5539 5.75243 23.6426 5.75241 -22.0269 GPRESSAVG: 3464600 10.5503 -28.0067 24.5501 -26.8447 10.3889 5.75337 21.8399 6.33391 -21.2762 TIMING: 3464600 CPU: 10949.2, 0.0031449/step Wall: 10949.2, 0.0031449/step, 1.3413 hours remaining, 237.843750 MB of memory in use. ENERGY: 3464600 3961.3687 20460.8623 14492.2079 223.4255 -203752.1952 2878.0389 0.0000 0.0000 52044.9695 -109691.3224 299.1032 -161736.2919 -109336.4454 297.8268 133.9142 165.0779 761189.0464 -0.2397 -0.1123 PRESSURE: 3464800 -309.491 -77.9773 -237.361 -77.9772 -105.929 297.327 -237.36 297.326 -321.888 GPRESSURE: 3464800 -255.974 21.5425 -210.939 -134.389 -88.7518 236.697 -94.3251 293.182 -309.699 PRESSAVG: 3464800 45.2159 -51.5287 11.0646 -51.5287 12.1178 -38.0855 11.0646 -38.0855 20.3108 GPRESSAVG: 3464800 44.3302 -51.8455 10.9703 -50.6346 13.4739 -38.3109 13.2407 -38.0545 19.9618 TIMING: 3464800 CPU: 10949.9, 0.0031495/step Wall: 10949.9, 0.0031495/step, 1.34309 hours remaining, 237.843750 MB of memory in use. ENERGY: 3464800 3995.5320 20355.1900 14499.8367 237.8729 -203480.1734 2857.0754 0.0000 0.0000 52011.9550 -109522.7113 298.9134 -161534.6663 -109163.7368 298.6711 -245.7691 -218.1417 762776.5715 25.8815 25.9220 PRESSURE: 3465000 -279.895 14.5545 135.866 14.5545 -202.307 -22.532 135.866 -22.5322 -305.225 GPRESSURE: 3465000 -210.983 37.2321 126.64 -39.6385 -178.568 2.2641 77.5147 -90.3302 -290.513 PRESSAVG: 3465000 -15.7185 -13.0135 -1.32526 -13.0135 -12.8907 -45.4558 -1.32531 -45.4559 -13.3538 GPRESSAVG: 3465000 -15.6624 -15.4524 -2.48278 -14.2134 -11.8351 -44.5106 -0.362551 -45.3246 -14.1937 TIMING: 3465000 CPU: 10950.5, 0.00318002/step Wall: 10950.5, 0.00318002/step, 1.35593 hours remaining, 237.843750 MB of memory in use. ENERGY: 3465000 4046.2768 20591.5871 14506.0294 250.8527 -203585.3148 2703.0265 0.0000 0.0000 51930.6725 -109556.8698 298.4463 -161487.5423 -109193.3343 298.7497 -262.4756 -226.6880 761191.9691 -13.9877 -13.8971 PRESSURE: 3465200 17.8074 -31.3102 -45.1273 -31.3098 114.107 -331.105 -45.1282 -331.106 -89.7466 GPRESSURE: 3465200 14.7837 38.5651 -193.466 34.4905 140.749 -357.22 88.9777 -301.963 -44.9053 PRESSAVG: 3465200 -27.819 -19.2113 12.3565 -19.2113 -16.7315 -28.1022 12.3565 -28.1022 -12.2637 GPRESSAVG: 3465200 -27.3219 -16.231 13.7197 -18.4203 -18.0168 -28.8797 9.96557 -28.3995 -11.3243 TIMING: 3465200 CPU: 10951.1, 0.0031469/step Wall: 10951.1, 0.0031469/step, 1.34163 hours remaining, 237.843750 MB of memory in use. ENERGY: 3465200 3995.0246 20606.6014 14469.7130 232.7195 -203598.0252 2952.6263 0.0000 0.0000 51933.0900 -109408.2505 298.4602 -161341.3404 -109044.1806 299.2528 14.0558 36.8757 761725.8602 -18.9381 -18.8877 PRESSURE: 3465400 -446.312 48.7055 181.587 48.7056 -148.534 81.0168 181.587 81.0173 -80.9158 GPRESSURE: 3465400 -332.011 54.5668 147.8 -22.128 -256.599 93.0982 147.554 57.5453 -3.81877 PRESSAVG: 3465400 6.63749 -77.5896 -27.5468 -77.5895 -47.5323 -27.9938 -27.5468 -27.9938 27.8746 GPRESSAVG: 3465400 6.80281 -78.1929 -28.1269 -77.5164 -47.7152 -26.2548 -27.2034 -28.5974 27.8626 TIMING: 3465400 CPU: 10951.8, 0.00315074/step Wall: 10951.8, 0.00315074/step, 1.34309 hours remaining, 237.843750 MB of memory in use. ENERGY: 3465400 3949.8513 20437.8440 14515.1821 223.7151 -203109.2912 2586.6584 0.0000 0.0000 51812.3446 -109583.6958 297.7663 -161396.0404 -109218.0828 298.6531 -225.2538 -197.4764 762838.2295 -4.3401 -4.3499 PRESSURE: 3465600 -119.721 -150.86 -74.0127 -150.859 71.9543 41.8958 -74.0126 41.896 -18.9988 GPRESSURE: 3465600 -77.3641 -142.54 -131.028 -218.862 167.328 90.4455 -16.0536 67.0765 -69.8993 PRESSAVG: 3465600 -61.2936 -37.3387 -13.3807 -37.3386 40.9393 -11.5137 -13.3807 -11.5137 -23.8607 GPRESSAVG: 3465600 -61.0967 -39.526 -12.1287 -35.5992 41.2284 -12.7517 -12.1596 -9.58942 -24.082 TIMING: 3465600 CPU: 10952.4, 0.00315214/step Wall: 10952.4, 0.00315214/step, 1.34351 hours remaining, 237.843750 MB of memory in use. ENERGY: 3465600 4030.4331 20490.5157 14466.3679 267.8871 -203220.7449 2649.7148 0.0000 0.0000 51878.8931 -109436.9332 298.1487 -161315.8263 -109067.3511 298.8953 -22.2552 6.6880 762553.5511 -14.7383 -14.6501 PRESSURE: 3465800 44.5876 -258.072 91.6487 -258.072 167.157 -169.779 91.6497 -169.779 187.248 GPRESSURE: 3465800 117.33 -250.936 57.4542 -154.519 149.819 -248.168 45.19 -201.992 207.737 PRESSAVG: 3465800 -8.59998 -20.3568 -30.1577 -20.3567 -8.47738 -58.4816 -30.1577 -58.4816 -22.4368 GPRESSAVG: 3465800 -9.42142 -16.0926 -31.3734 -24.3671 -8.7217 -59.1722 -30.9131 -57.7432 -21.7834 TIMING: 3465800 CPU: 10953, 0.00315671/step Wall: 10953, 0.00315671/step, 1.34528 hours remaining, 237.843750 MB of memory in use. ENERGY: 3465800 3996.8219 20286.0752 14418.8140 232.5341 -203259.2036 2926.8143 0.0000 0.0000 52077.2790 -109320.8650 299.2888 -161398.1440 -108947.3317 299.1140 132.9977 158.2951 765343.3935 -13.1714 -13.3088 PRESSURE: 3466000 -146.008 -39.635 19.296 -39.6352 18.8177 -238.318 19.2967 -238.318 3.27605 GPRESSURE: 3466000 -134.776 53.1387 -5.92024 -37.8794 28.0944 -192.487 41.6099 -198.778 64.868 PRESSAVG: 3466000 -44.5872 -17.5579 -13.4319 -17.5579 36.4332 -48.6022 -13.432 -48.6022 12.3947 GPRESSAVG: 3466000 -45.4439 -19.5454 -12.4863 -15.8004 37.5872 -48.2283 -14.8203 -50.2711 12.457 TIMING: 3466000 CPU: 10953.7, 0.00314687/step Wall: 10953.7, 0.00314687/step, 1.34092 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3466000 3989.0696 20387.3650 14517.9742 257.3283 -203210.1474 2655.3900 0.0000 0.0000 52241.5720 -109161.4484 300.2330 -161403.0204 -108799.2986 299.3379 -41.3048 -13.9377 762754.6852 1.4136 1.5334 PRESSURE: 3466200 175.864 98.4821 -98.294 98.4805 -2.37571 17.3522 -98.2942 17.3521 534.061 GPRESSURE: 3466200 150.988 73.0752 22.0026 103.565 102.867 19.4568 -154.546 24.9997 533.1 PRESSAVG: 3466200 4.86106 -20.1868 22.629 -20.1868 -34.627 -11.5004 22.629 -11.5005 4.78611 GPRESSAVG: 3466200 5.83584 -19.9585 22.4716 -20.5516 -35.4519 -11.2482 23.0447 -11.0515 4.58311 TIMING: 3466200 CPU: 10954.3, 0.00315678/step Wall: 10954.3, 0.00315678/step, 1.34496 hours remaining, 237.843750 MB of memory in use. ENERGY: 3466200 3938.5911 20649.1475 14502.1509 232.8283 -203285.3709 2835.4871 0.0000 0.0000 51758.8167 -109368.3494 297.4586 -161127.1661 -109020.9033 299.2593 235.8499 262.3182 763343.7120 -8.3266 -8.3443 PRESSURE: 3466400 197.717 -119.051 -163.846 -119.052 268.625 90.8025 -163.846 90.8015 72.5062 GPRESSURE: 3466400 226.404 -70.168 -128.02 -170.726 205.361 106.098 -192.252 -37.231 197.598 PRESSAVG: 3466400 -0.832777 -44.6485 24.6631 -44.6485 -30.6843 -22.8409 24.6632 -22.8408 -3.90929 GPRESSAVG: 3466400 -1.4535 -44.5042 23.4823 -43.075 -31.7035 -22.0424 26.0785 -23.0848 -2.57209 TIMING: 3466400 CPU: 10954.9, 0.003149/step Wall: 10954.9, 0.003149/step, 1.34147 hours remaining, 237.843750 MB of memory in use. ENERGY: 3466400 3999.2782 20421.9595 14469.7101 255.9618 -203218.8999 2679.8967 0.0000 0.0000 52120.3804 -109271.7131 299.5365 -161392.0936 -108910.8904 299.0070 179.6162 209.7876 763498.3921 -11.8088 -11.9097 PRESSURE: 3466600 -20.9612 -81.1419 -65.1338 -81.142 -362.1 -68.0344 -65.1351 -68.0339 116.351 GPRESSURE: 3466600 -18.0487 -97.3212 -100.984 -107.269 -356.428 -24.7554 -34.525 -51.6873 170.732 PRESSAVG: 3466600 23.0568 -74.3266 3.16322 -74.3266 -53.4892 -56.6367 3.16315 -56.6367 -2.35146 GPRESSAVG: 3466600 23.5615 -75.0164 5.02564 -75.15 -53.2361 -56.4949 2.30836 -56.2806 -3.26387 TIMING: 3466600 CPU: 10955.6, 0.00316695/step Wall: 10955.6, 0.00316694/step, 1.34894 hours remaining, 237.843750 MB of memory in use. ENERGY: 3466600 3946.1501 20263.8572 14440.1481 247.7599 -203262.9473 2717.0411 0.0000 0.0000 52395.3102 -109252.6808 301.1166 -161647.9910 -108883.3580 299.4431 -88.9035 -67.9149 763883.8589 -10.9279 -10.9795 PRESSURE: 3466800 -181.991 -230.86 290.47 -230.86 -78.8869 -79.4342 290.47 -79.4351 91.3007 GPRESSURE: 3466800 -224.387 -252.284 239.397 -173.757 -3.98468 -91.3856 301.562 -108.731 131.005 PRESSAVG: 3466800 50.8357 -56.4706 39.7186 -56.4705 -8.39963 -50.4571 39.7186 -50.4571 -2.91245 GPRESSAVG: 3466800 50.2969 -56.298 38.5765 -56.5296 -7.2353 -50.4464 38.0665 -49.8938 -2.84808 TIMING: 3466800 CPU: 10956.2, 0.00316844/step Wall: 10956.2, 0.00316844/step, 1.3494 hours remaining, 237.843750 MB of memory in use. ENERGY: 3466800 4040.1484 20552.0296 14437.0332 247.7773 -203308.6151 2704.0418 0.0000 0.0000 51973.2778 -109354.3069 298.6911 -161327.5848 -108997.1888 299.5307 -56.5258 -32.4556 761485.5595 13.1745 13.4045 PRESSURE: 3467000 63.1384 191.539 160.681 191.54 -173.748 -187.053 160.679 -187.053 189.391 GPRESSURE: 3467000 33.598 228.47 246.494 156.121 -40.5016 -233.779 105.804 -298.449 171.174 PRESSAVG: 3467000 -10.6056 -32.7068 9.72877 -32.7068 58.8031 -31.8954 9.72874 -31.8954 -19.5372 GPRESSAVG: 3467000 -10.7725 -31.5529 9.54112 -33.764 59.3746 -31.3962 12.3377 -33.2349 -19.8079 TIMING: 3467000 CPU: 10956.8, 0.00315224/step Wall: 10956.8, 0.00315224/step, 1.34233 hours remaining, 237.843750 MB of memory in use. ENERGY: 3467000 3982.6094 20493.9095 14472.0937 263.0572 -203089.5350 2362.6717 0.0000 0.0000 52017.2978 -109497.8958 298.9441 -161515.1935 -109136.7232 299.0580 26.2603 54.7568 763275.6067 9.5534 9.5981 PRESSURE: 3467200 107.976 -128.764 -192.93 -128.765 -308.082 -112.92 -192.93 -112.92 -118.746 GPRESSURE: 3467200 129.872 -99.2412 -185.536 -188.47 -213.086 -62.3936 -175.353 -148.242 -140.91 PRESSAVG: 3467200 3.62548 9.16938 18.3528 9.16943 -17.8473 -66.9517 18.3528 -66.9517 -15.8379 GPRESSAVG: 3467200 4.71828 9.08357 17.3127 8.86196 -18.5072 -66.2933 16.7615 -68.6836 -15.7223 TIMING: 3467200 CPU: 10957.4, 0.00314554/step Wall: 10957.4, 0.00314554/step, 1.3393 hours remaining, 237.843750 MB of memory in use. ENERGY: 3467200 3929.3385 20564.8513 14417.6647 242.7020 -203179.8585 2453.1236 0.0000 0.0000 52272.0108 -109300.1676 300.4080 -161572.1784 -108931.3614 299.3335 -106.2838 -74.7081 762159.9425 -10.0199 -9.8370 PRESSURE: 3467400 -114.003 -149.056 -299.904 -149.056 147.933 -43.5122 -299.905 -43.511 -111.064 GPRESSURE: 3467400 -14.2601 -104.729 -227.734 -168.831 145.72 -82.5677 -171.941 -83.6942 -123.339 PRESSAVG: 3467400 -6.39901 -67.5951 -27.8333 -67.5951 44.548 -0.73079 -27.8333 -0.730787 -27.7451 GPRESSAVG: 3467400 -5.60227 -67.6049 -26.6416 -67.3204 43.567 -4.01872 -26.9883 3.8486 -28.124 TIMING: 3467400 CPU: 10958.1, 0.00316128/step Wall: 10958.1, 0.00316128/step, 1.34583 hours remaining, 237.843750 MB of memory in use. ENERGY: 3467400 3989.1284 20708.4652 14439.2295 232.1019 -203297.2484 2624.2515 0.0000 0.0000 51892.1778 -109411.8940 298.2251 -161304.0718 -109059.8444 299.2008 -25.7112 2.7073 760502.5391 3.4680 3.2803 PRESSURE: 3467600 -218.485 51.2985 114.926 51.2994 -252.996 -350.561 114.926 -350.561 11.651 GPRESSURE: 3467600 -139.725 66.8084 114.619 93.685 -226.632 -283.258 137.53 -223.183 -13.5432 PRESSAVG: 3467600 31.1499 -53.1357 -8.11857 -53.1356 -55.6807 -24.2494 -8.11853 -24.2493 9.65433 GPRESSAVG: 3467600 30.1237 -54.6747 -8.11498 -52.8638 -53.9177 -22.8896 -6.61706 -25.0099 9.01081 TIMING: 3467600 CPU: 10958.7, 0.00314909/step Wall: 10958.7, 0.00314909/step, 1.34046 hours remaining, 237.843750 MB of memory in use. ENERGY: 3467600 3956.3969 20425.8655 14484.4076 236.9336 -203126.2253 2503.1154 0.0000 0.0000 52195.7115 -109323.7947 299.9695 -161519.5062 -108962.0260 299.4338 -153.2769 -126.6333 762983.8232 -4.9588 -4.9277 PRESSURE: 3467800 354.899 98.6178 83.6822 98.6162 37.096 41.4299 83.6829 41.4298 -77.8771 GPRESSURE: 3467800 425.175 114.686 72.593 27.782 33.0279 57.2397 100.656 67.0323 -43.0895 PRESSAVG: 3467800 46.8546 -46.1241 -0.209388 -46.124 -15.9869 -44.4844 -0.209402 -44.4844 -23.9536 GPRESSAVG: 3467800 46.6797 -45.7551 -0.93824 -46.4601 -15.8213 -43.3 -1.58743 -46.5225 -24.0888 TIMING: 3467800 CPU: 10959.3, 0.00315055/step Wall: 10959.3, 0.00315055/step, 1.34091 hours remaining, 237.843750 MB of memory in use. ENERGY: 3467800 3924.3859 20501.7874 14507.7475 246.9284 -203534.1728 2857.5335 0.0000 0.0000 51993.4344 -109502.3558 298.8070 -161495.7901 -109146.2804 298.7946 104.7059 138.3712 761508.7161 2.3047 2.2565 PRESSURE: 3468000 -93.5074 224.703 -135.027 224.703 38.8933 -41.1195 -135.027 -41.1192 179.706 GPRESSURE: 3468000 -54.3803 259.954 -185.878 200.837 33.7591 -115.808 -22.9541 1.69457 215.582 PRESSAVG: 3468000 13.0306 60.7701 -3.81365 60.7701 -24.7987 -40.6865 -3.81359 -40.6865 30.0242 GPRESSAVG: 3468000 12.7992 61.5004 -2.34105 59.3524 -25.5261 -42.019 -4.33104 -40.1254 31.106 TIMING: 3468000 CPU: 10960, 0.00313655/step Wall: 10960, 0.00313655/step, 1.33477 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3468000 3949.3186 20302.2483 14464.3925 238.8237 -202948.3233 2617.3732 0.0000 0.0000 51887.2175 -109488.9494 298.1966 -161376.1669 -109122.9056 298.4179 41.6971 64.9870 763626.0426 6.0854 6.1264 PRESSURE: 3468200 15.9228 -12.3797 23.9265 -12.3798 156.085 -93.4851 23.9264 -93.4848 315.08 GPRESSURE: 3468200 55.8097 -26.04 3.32918 94.6161 192.24 -75.39 87.2871 -126.693 317.02 PRESSAVG: 3468200 -1.69328 21.2218 5.74654 21.2217 3.27939 -21.2352 5.74645 -21.2353 -10.3424 GPRESSAVG: 3468200 -1.39933 20.4331 4.4781 22.5272 4.75013 -20.2794 6.25228 -22.7206 -11.5796 TIMING: 3468200 CPU: 10960.6, 0.00313406/step Wall: 10960.6, 0.00313406/step, 1.33354 hours remaining, 237.843750 MB of memory in use. ENERGY: 3468200 3938.2424 20482.0395 14455.6312 233.0511 -203310.8987 2731.6753 0.0000 0.0000 51882.1607 -109588.0985 298.1675 -161470.2592 -109224.4020 298.6921 162.3627 188.3564 761225.8614 -2.9188 -2.7429 LDB: ============= START OF LOAD BALANCING ============== 10973 LDB: ============== END OF LOAD BALANCING =============== 10973 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10973 LDB: ============= START OF LOAD BALANCING ============== 10973.3 LDB: Largest compute 7024 load 0.033762 is 17.2% of average load 0.196105 LDB: Average compute 0.004382 is 2.2% of average load 0.196105 LDB: TIME 10973.3 LOAD: AVG 0.196105 MAX 0.218486 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 10973.3 LOAD: AVG 0.196105 MAX 0.218486 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 10973.3 LOAD: AVG 0.196105 MAX 0.218486 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10973.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10973.3 PRESSURE: 3468400 100.003 -33.0542 114.185 -33.0544 223.763 -46.3749 114.185 -46.3739 363.478 GPRESSURE: 3468400 168.892 -31.9651 156.852 -6.96404 198.61 -106.239 68.0135 -52.8489 393.026 PRESSAVG: 3468400 -7.19617 18.5421 23.3439 18.5421 18.7198 -40.2968 23.344 -40.2967 -15.9342 GPRESSAVG: 3468400 -8.07742 19.0328 25.6919 18.7533 18.9694 -41.0638 22.5088 -40.6564 -15.8011 TIMING: 3468400 CPU: 10961.2, 0.00321289/step Wall: 10961.2, 0.00321289/step, 1.3669 hours remaining, 238.355469 MB of memory in use. ENERGY: 3468400 3907.9225 20419.4799 14470.4865 256.3998 -203019.9358 2564.4746 0.0000 0.0000 51987.3979 -109413.7746 298.7723 -161401.1725 -109048.1265 298.5918 229.0813 253.5094 762317.5242 -1.4702 -1.6364 PRESSURE: 3468600 87.0215 125.789 68.755 125.789 44.6056 21.4112 68.7565 21.4104 268.722 GPRESSURE: 3468600 173.047 97.5819 83.1371 200.699 43.7587 119.48 151.235 11.3647 273.074 PRESSAVG: 3468600 27.6912 30.725 -15.2208 30.725 12.1869 21.4722 -15.2208 21.4721 7.41128 GPRESSAVG: 3468600 28.8742 30.9184 -16.2116 30.1872 11.9611 22.3117 -12.4206 22.9515 6.64387 TIMING: 3468600 CPU: 10961.9, 0.00314479/step Wall: 10961.9, 0.00314479/step, 1.33776 hours remaining, 238.558594 MB of memory in use. ENERGY: 3468600 3997.8551 20440.3885 14376.0700 215.5419 -203558.1853 2801.7464 0.0000 0.0000 52168.9781 -109557.6053 299.8158 -161726.5834 -109206.8580 298.7024 133.4498 163.2931 761806.9721 15.7631 15.8264 PRESSURE: 3468800 144.283 -279.879 285.634 -279.878 -3.44375 138.28 285.635 138.278 248.621 GPRESSURE: 3468800 107.931 -293.959 344.013 -237.682 105.029 144.202 119.57 82.299 256.17 PRESSAVG: 3468800 -0.501898 46.0773 -1.29481 46.0773 -31.2599 -17.0894 -1.29481 -17.0894 11.0028 GPRESSAVG: 3468800 -0.175066 45.7436 0.0606484 47.5393 -31.9174 -17.1312 -3.52862 -15.0988 10.4651 TIMING: 3468800 CPU: 10962.5, 0.0031343/step Wall: 10962.5, 0.0031343/step, 1.33312 hours remaining, 238.558594 MB of memory in use. ENERGY: 3468800 3977.2649 20388.8841 14484.3300 242.5068 -203092.8184 2579.2873 0.0000 0.0000 52152.6038 -109267.9415 299.7217 -161420.5453 -108900.9253 299.2880 129.8201 156.3768 762920.7648 -6.9196 -7.2091 PRESSURE: 3469000 308.437 -65.6562 -134.732 -65.6552 27.5205 -182.462 -134.732 -182.463 131.104 GPRESSURE: 3469000 345.4 -39.0511 -113.793 -51.8823 87.3987 -155.019 -47.2612 -114.65 142.337 PRESSAVG: 3469000 8.60768 -2.71041 -106.584 -2.71043 -8.63608 -11.8253 -106.584 -11.8254 3.59097 GPRESSAVG: 3469000 7.50251 -2.09964 -108.47 -1.88537 -8.06197 -11.9153 -105.445 -13.738 4.5248 TIMING: 3469000 CPU: 10963.1, 0.0031628/step Wall: 10963.1, 0.00316279/step, 1.34507 hours remaining, 238.558594 MB of memory in use. ENERGY: 3469000 3978.3046 20608.7533 14521.3845 224.5776 -203515.7962 2907.9704 0.0000 0.0000 52093.9787 -109180.8273 299.3848 -161274.8059 -108828.1072 299.6014 155.6871 191.7119 762854.9475 1.1875 1.3218 PRESSURE: 3469200 -204.868 -14.7586 -141.39 -14.7593 -407.38 -48.6341 -141.39 -48.6349 -256.578 GPRESSURE: 3469200 -180.873 -59.262 -50.5483 -7.96539 -369.339 -2.95038 -106.368 86.974 -232.859 PRESSAVG: 3469200 72.8833 -18.9353 -60.5779 -18.9353 -43.552 -28.5828 -60.5779 -28.5828 -6.9026 GPRESSAVG: 3469200 72.8792 -20.2533 -61.3722 -20.9505 -43.5432 -28.4374 -59.9854 -27.0839 -6.98288 TIMING: 3469200 CPU: 10963.8, 0.0031984/step Wall: 10963.8, 0.00319841/step, 1.36003 hours remaining, 238.558594 MB of memory in use. ENERGY: 3469200 3929.6626 20520.0351 14534.3096 247.3746 -203271.5833 2461.4852 0.0000 0.0000 52136.9873 -109441.7289 299.6320 -161578.7162 -109069.7302 299.6832 -289.6087 -261.0236 761652.3494 7.4762 7.4510 PRESSURE: 3469400 -326.386 -54.7105 -76.5625 -54.7102 88.0136 -55.7652 -76.5623 -55.7651 243.908 GPRESSURE: 3469400 -217.33 29.4942 -84.3097 -98.7986 127.452 -10.8288 -151.835 -2.94764 194.228 PRESSAVG: 3469400 37.8358 -11.3947 -5.71224 -11.3947 -28.6403 -42.8287 -5.7122 -42.8287 -6.74066 GPRESSAVG: 3469400 38.4427 -10.2405 -5.6916 -8.46864 -30.0611 -43.3392 -5.98085 -43.5599 -5.64507 TIMING: 3469400 CPU: 10964.4, 0.00316535/step Wall: 10964.4, 0.00316535/step, 1.3458 hours remaining, 238.558594 MB of memory in use. ENERGY: 3469400 3931.4507 20526.2186 14454.0879 271.9172 -203249.8991 2648.8782 0.0000 0.0000 52035.7225 -109381.6240 299.0500 -161417.3465 -109021.1833 299.3291 1.8453 34.7831 762233.6430 0.8183 0.9122 PRESSURE: 3469600 173.207 -73.6483 -392.411 -73.6484 -336.716 -88.8328 -392.412 -88.833 -141.618 GPRESSURE: 3469600 267.504 -42.1087 -431.895 -107.414 -296.566 -73.7945 -364.435 -77.4545 -213.496 PRESSAVG: 3469600 -22.1246 28.9847 -25.6259 28.9847 15.512 -41.4052 -25.6259 -41.4052 2.26929 GPRESSAVG: 3469600 -21.9663 28.8805 -23.5161 27.3408 16.5606 -41.8689 -25.2218 -39.6069 1.13437 TIMING: 3469600 CPU: 10965, 0.00315416/step Wall: 10965, 0.00315416/step, 1.34087 hours remaining, 238.558594 MB of memory in use. ENERGY: 3469600 3994.3832 20485.8960 14497.9049 262.8198 -203247.3152 2503.7580 0.0000 0.0000 51927.3517 -109575.2017 298.4272 -161502.5534 -109210.4098 299.1250 -101.7088 -80.8527 763319.4499 -1.4478 -1.4238 PRESSURE: 3469800 -61.5213 66.4892 45.4047 66.4896 108.784 30.2001 45.4048 30.1996 -108.436 GPRESSURE: 3469800 -1.55294 62.533 36.9687 100.372 129.047 57.1402 46.7005 -2.5431 -115.664 PRESSAVG: 3469800 -3.00903 22.4996 4.9193 22.4996 14.1899 49.4529 4.91929 49.453 2.72969 GPRESSAVG: 3469800 -3.0753 23.6091 2.72512 21.8952 13.9273 52.4126 5.67232 46.7439 2.56273 TIMING: 3469800 CPU: 10965.7, 0.00314469/step Wall: 10965.7, 0.00314469/step, 1.33667 hours remaining, 238.558594 MB of memory in use. ENERGY: 3469800 3943.7030 20403.0782 14450.3071 222.4571 -203693.4742 2843.8860 0.0000 0.0000 51969.2907 -109860.7521 298.6682 -161830.0428 -109489.1215 298.1084 -20.3911 3.9435 761406.7210 4.6368 4.4716 PRESSURE: 3470000 562.196 -101.039 39.4572 -101.04 68.1237 249.318 39.4568 249.317 405.142 GPRESSURE: 3470000 562.916 -151.338 100.923 -165.806 189.263 238.242 -22.7384 112.068 355.811 PRESSAVG: 3470000 20.2814 -26.2075 37.6967 -26.2075 -61.4464 18.7082 37.6966 18.7081 -2.02721 GPRESSAVG: 3470000 20.7878 -27.2911 38.6406 -26.8102 -62.0112 16.4148 35.1316 20.3502 -1.99005 TIMING: 3470000 CPU: 10966.3, 0.00316362/step Wall: 10966.3, 0.00316362/step, 1.34454 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3470000 3891.9531 20418.8507 14416.8975 255.9311 -203679.9012 2929.6458 0.0000 0.0000 51820.3721 -109946.2510 297.8124 -161766.6231 -109589.4555 298.0726 345.1541 369.3298 760721.1659 -14.3974 -14.4045 PRESSURE: 3470200 -148.799 -74.0315 -104.221 -74.0315 -79.8204 17.8851 -104.22 17.8853 -264.895 GPRESSURE: 3470200 -67.8203 -61.9191 10.128 -78.1734 -40.4957 -78.7778 -50.5885 24.8075 -286.677 PRESSAVG: 3470200 21.2259 2.95474 12.8531 2.95475 16.3931 -35.1463 12.8531 -35.1462 16.1151 GPRESSAVG: 3470200 21.5465 4.36315 11.9495 2.38001 16.4547 -36.352 14.721 -37.5474 15.6346 TIMING: 3470200 CPU: 10966.9, 0.00316089/step Wall: 10966.9, 0.00316089/step, 1.3432 hours remaining, 238.558594 MB of memory in use. ENERGY: 3470200 3988.0663 20463.0398 14433.0366 243.7641 -203750.1462 2769.1021 0.0000 0.0000 52044.2145 -109808.9227 299.0988 -161853.1373 -109460.0371 298.0674 -164.5048 -131.6644 761367.4815 17.9114 17.8786 PRESSURE: 3470400 341.371 150.332 -22.9154 150.332 127.705 38.2449 -22.9142 38.2455 34.4948 GPRESSURE: 3470400 270.679 117.246 6.44643 111.424 176.075 -9.28125 7.78134 41.8434 155.472 PRESSAVG: 3470400 17.9814 -33.7548 40.5772 -33.7548 -8.30273 -57.5817 40.5772 -57.5816 -5.77916 GPRESSAVG: 3470400 17.4794 -34.6196 41.486 -32.0879 -7.82374 -57.6438 41.3453 -55.6305 -5.82968 TIMING: 3470400 CPU: 10967.6, 0.00313747/step Wall: 10967.6, 0.00313747/step, 1.33308 hours remaining, 238.558594 MB of memory in use. ENERGY: 3470400 4026.8689 20427.2657 14472.3216 247.6987 -204036.0963 3182.4999 0.0000 0.0000 51979.7997 -109699.6418 298.7286 -161679.4415 -109336.4714 299.0431 167.8569 200.7423 761518.8582 1.2998 1.2753 PRESSURE: 3470600 57.4679 -217.714 -113.605 -217.713 68.0105 -218.082 -113.606 -218.084 383.128 GPRESSURE: 3470600 115.985 -177.802 -147.565 -186.145 69.3052 -95.4243 -27.9478 -185.052 387.922 PRESSAVG: 3470600 7.65278 -40.4815 49.4964 -40.4815 -28.1197 -34.8869 49.4964 -34.8869 -12.3096 GPRESSAVG: 3470600 7.76729 -39.1723 48.9218 -41.8716 -28.673 -33.6872 48.2591 -35.1378 -11.4743 TIMING: 3470600 CPU: 10968.2, 0.00314437/step Wall: 10968.2, 0.00314437/step, 1.33583 hours remaining, 238.558594 MB of memory in use. ENERGY: 3470600 3987.3918 20460.1927 14419.0103 250.8318 -203343.4901 2584.0050 0.0000 0.0000 51936.0459 -109706.0126 298.4772 -161642.0585 -109346.4870 298.7737 169.5353 191.0707 761901.7595 -10.9255 -10.7933 PRESSURE: 3470800 -194.567 38.9448 71.8038 38.9448 -427.38 -35.9327 71.8042 -35.933 -146.571 GPRESSURE: 3470800 -127.655 67.1335 137.852 128.617 -393.955 -38.486 111.364 55.7575 -156.809 PRESSAVG: 3470800 24.8687 15.1954 8.95234 15.1955 -29.3432 4.87823 8.95238 4.87836 1.29021 GPRESSAVG: 3470800 25.4832 14.2908 7.79791 15.2974 -29.1859 4.31925 9.2318 4.40581 0.0255651 TIMING: 3470800 CPU: 10968.8, 0.00314695/step Wall: 10968.8, 0.00314695/step, 1.33675 hours remaining, 238.558594 MB of memory in use. ENERGY: 3470800 4016.4053 20508.2287 14354.0202 245.6910 -203382.3139 2738.2783 0.0000 0.0000 52010.0178 -109509.6726 298.9023 -161519.6904 -109141.4940 298.4132 -256.1731 -226.1396 762828.9901 -1.0614 -1.2257 PRESSURE: 3471000 102.495 -150.299 122.287 -150.299 85.5635 -204.059 122.287 -204.058 40.843 GPRESSURE: 3471000 15.6724 -137.844 98.497 -132 117.462 -198.878 66.3429 -195.166 137.924 PRESSAVG: 3471000 28.7614 6.05642 1.83635 6.05639 -6.93661 -16.0491 1.83633 -16.0491 -10.3402 GPRESSAVG: 3471000 26.1962 5.82564 2.56198 6.37815 -5.52041 -16.0738 0.760025 -16.4917 -9.18451 TIMING: 3471000 CPU: 10969.4, 0.00314276/step Wall: 10969.4, 0.00314276/step, 1.3348 hours remaining, 238.558594 MB of memory in use. ENERGY: 3471000 3964.7123 20552.1934 14468.1189 253.4473 -203553.7261 2721.8328 0.0000 0.0000 51947.8729 -109645.5484 298.5451 -161593.4213 -109280.4542 298.9511 76.3006 90.3529 763982.6179 3.8282 3.8304 PRESSURE: 3471200 -347.625 26.3303 -67.4034 26.3304 -112.287 -326.043 -67.403 -326.044 -155.544 GPRESSURE: 3471200 -259.69 80.62 -71.0574 94.3183 -159.941 -273.842 -63.9461 -250.417 -106.302 PRESSAVG: 3471200 49.6317 -74.0809 -21.2951 -74.0809 -35.1903 23.9926 -21.2952 23.9926 15.5372 GPRESSAVG: 3471200 51.8565 -74.7075 -20.3163 -74.3424 -37.1858 24.4922 -18.7638 25.1679 15.1347 TIMING: 3471200 CPU: 10970.1, 0.00315447/step Wall: 10970.1, 0.00315447/step, 1.3396 hours remaining, 238.558594 MB of memory in use. ENERGY: 3471200 3972.8436 20425.6390 14454.5730 240.3127 -202834.0074 2266.1273 0.0000 0.0000 51927.9951 -109546.5166 298.4309 -161474.5118 -109185.5786 299.1260 -205.1520 -175.3110 761874.5225 9.9929 9.9351 PRESSURE: 3471400 266.567 26.8231 93.9773 26.8227 70.9636 49.2383 93.9775 49.2379 -92.0411 GPRESSURE: 3471400 232.997 114.255 204.962 53.8424 106.467 110.073 56.4857 -12.1887 -4.76958 PRESSAVG: 3471400 20.4181 16.2233 8.55114 16.2233 -51.5859 1.41801 8.55111 1.41805 10.1932 GPRESSAVG: 3471400 20.0623 17.1118 7.20015 15.4025 -51.7584 -0.80858 8.25177 2.49683 10.4307 TIMING: 3471400 CPU: 10970.7, 0.00314499/step Wall: 10970.7, 0.00314499/step, 1.3354 hours remaining, 238.558594 MB of memory in use. ENERGY: 3471400 3930.5679 20610.8195 14452.2209 251.0287 -203387.5869 2685.9328 0.0000 0.0000 52135.1703 -109321.8468 299.6215 -161457.0171 -108969.9465 299.2347 81.8299 111.5648 762858.5500 -6.9915 -7.0885 PRESSURE: 3471600 381.903 146.622 -90.1355 146.623 40.9283 209.8 -90.1354 209.8 158.432 GPRESSURE: 3471600 360.746 263.162 -105.817 163.961 153.102 184.111 -55.0768 41.5618 152.914 PRESSAVG: 3471600 76.6674 -1.50176 25.3953 -1.50175 -75.4404 59.0407 25.3953 59.0406 -13.7952 GPRESSAVG: 3471600 77.2757 1.68784 25.2019 -1.62799 -76.0342 61.5018 24.3989 55.2952 -14.1411 TIMING: 3471600 CPU: 10971.3, 0.00316695/step Wall: 10971.3, 0.00316695/step, 1.34455 hours remaining, 238.558594 MB of memory in use. ENERGY: 3471600 3937.7288 20607.8265 14477.6911 255.1141 -203274.6160 2765.4241 0.0000 0.0000 51862.8942 -109367.9371 298.0568 -161230.8313 -109007.5376 299.3323 193.7544 222.2542 761978.1088 -4.1894 -4.2999 PRESSURE: 3471800 22.8077 18.0809 -13.3072 18.0806 140.934 12.3391 -13.3076 12.3398 600.964 GPRESSURE: 3471800 80.89 -44.2902 -14.9803 5.67307 228.964 8.60061 -14.0756 74.1264 524.084 PRESSAVG: 3471800 -20.4975 -0.618426 -4.99523 -0.618423 39.3292 45.7932 -4.9952 45.7932 8.15515 GPRESSAVG: 3471800 -21.4918 -4.55743 -3.31488 0.410528 41.9186 45.1295 -3.19475 47.2717 7.21049 TIMING: 3471800 CPU: 10972, 0.00313814/step Wall: 10972, 0.00313814/step, 1.33214 hours remaining, 238.558594 MB of memory in use. ENERGY: 3471800 4079.0266 20664.2062 14428.0735 252.3568 -203918.0608 2939.0612 0.0000 0.0000 52083.0023 -109472.3342 299.3217 -161555.3365 -109117.2682 299.3740 254.9018 277.9791 762463.5957 8.9956 9.2124 PRESSURE: 3472000 -172.532 -157.471 -146.435 -157.47 146.73 196.96 -146.436 196.96 61.6789 GPRESSURE: 3472000 -138.779 -208.46 -85.3684 -154.894 167.982 88.4009 -210.963 277.354 75.8252 PRESSAVG: 3472000 -34.4074 -2.7646 34.9668 -2.76461 13.9781 -30.0582 34.9669 -30.0582 17.3902 GPRESSAVG: 3472000 -32.588 -1.64336 35.1522 -4.24067 11.3527 -31.281 33.0662 -26.1896 18.2641 TIMING: 3472000 CPU: 10972.6, 0.00315783/step Wall: 10972.6, 0.00315783/step, 1.34032 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3472000 4035.7084 20620.2297 14441.0035 245.9404 -203770.2908 2833.5325 0.0000 0.0000 52088.8482 -109505.0281 299.3553 -161593.8763 -109146.7695 298.9885 11.9590 35.0094 762906.8029 -1.0130 -0.9904 PRESSURE: 3472200 -143.382 225.611 104.56 225.611 -326.92 -178.782 104.56 -178.782 521.872 GPRESSURE: 3472200 -212.309 104.946 41.8414 162.771 -180.471 -143.933 89.2319 -111.652 517.489 PRESSAVG: 3472200 5.25529 -23.0629 26.072 -23.0629 25.755 12.408 26.072 12.4081 -9.47359 GPRESSAVG: 3472200 2.66121 -24.2936 25.8884 -22.1465 28.5362 12.7776 26.8619 11.0634 -8.91818 TIMING: 3472200 CPU: 10973.2, 0.00316849/step Wall: 10973.2, 0.00316849/step, 1.34467 hours remaining, 238.558594 MB of memory in use. ENERGY: 3472200 3958.3591 20562.3798 14493.9652 240.7396 -203495.1832 2709.6594 0.0000 0.0000 52059.0766 -109471.0035 299.1842 -161530.0801 -109106.7900 299.2645 17.1901 41.5700 761929.7190 7.1789 7.4264 LDB: ============= START OF LOAD BALANCING ============== 10985.6 LDB: ============== END OF LOAD BALANCING =============== 10985.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10985.6 LDB: ============= START OF LOAD BALANCING ============== 10985.9 LDB: Largest compute 7068 load 0.031292 is 16.0% of average load 0.196140 LDB: Average compute 0.004376 is 2.2% of average load 0.196140 LDB: TIME 10985.9 LOAD: AVG 0.19614 MAX 0.216236 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 10985.9 LOAD: AVG 0.19614 MAX 0.216236 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 10985.9 LOAD: AVG 0.19614 MAX 0.216236 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 10985.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10985.9 PRESSURE: 3472400 -189.342 17.7628 -32.3085 17.7621 98.8187 23.7216 -32.3093 23.7218 133.444 GPRESSURE: 3472400 -179.92 142.89 -102.405 42.1962 120.609 47.0993 61.5195 -19.2258 196.652 PRESSAVG: 3472400 8.06421 42.0209 46.5691 42.0209 9.75966 6.09946 46.5691 6.09945 -0.232148 GPRESSAVG: 3472400 8.81699 42.8183 44.4342 42.5556 8.81897 6.57843 47.3747 5.63057 -0.394957 TIMING: 3472400 CPU: 10973.9, 0.00320536/step Wall: 10973.9, 0.00320536/step, 1.36014 hours remaining, 237.902344 MB of memory in use. ENERGY: 3472400 4005.9091 20740.1341 14477.9590 238.5503 -203154.8049 2452.5687 0.0000 0.0000 51890.0132 -109349.6704 298.2126 -161239.6836 -108989.5870 299.6407 14.3070 45.7803 761858.5696 5.8639 5.7470 PRESSURE: 3472600 162.56 -65.9109 -216.455 -65.9114 -25.6805 -192.268 -216.455 -192.268 421.834 GPRESSURE: 3472600 144.029 42.2458 -260.381 32.4236 89.3559 -198.832 -122.73 -217.969 419.399 PRESSAVG: 3472600 3.89218 -17.4784 -18.062 -17.4784 16.4522 11.713 -18.062 11.713 19.7735 GPRESSAVG: 3472600 4.02855 -17.3282 -15.4899 -16.8184 15.4976 10.5889 -16.6707 11.7116 20.1858 TIMING: 3472600 CPU: 10974.5, 0.00315404/step Wall: 10974.5, 0.00315404/step, 1.33819 hours remaining, 237.902344 MB of memory in use. ENERGY: 3472600 4008.1761 20519.7777 14519.7765 252.8371 -203186.9882 2750.2133 0.0000 0.0000 51806.9513 -109329.2562 297.7353 -161136.2075 -108964.4572 299.7276 186.2377 217.5945 764914.1059 13.3726 13.2373 PRESSURE: 3472800 -179.002 -296.969 -2.97085 -296.969 -185.584 328.44 -2.97032 328.44 364.5 GPRESSURE: 3472800 -236.88 -317.912 -21.3614 -243.72 -32.8513 277.803 -15.9616 349.247 350.607 PRESSAVG: 3472800 -5.53596 -13.8639 4.87757 -13.864 15.2618 -41.0859 4.8776 -41.086 3.85394 GPRESSAVG: 3472800 -5.30954 -15.1352 5.6544 -14.3377 15.5619 -39.4532 3.15241 -42.571 2.97991 TIMING: 3472800 CPU: 10975.1, 0.00313381/step Wall: 10975.1, 0.00313381/step, 1.32943 hours remaining, 237.902344 MB of memory in use. ENERGY: 3472800 3917.8513 20525.9391 14494.4448 252.6766 -203154.1370 2627.5842 0.0000 0.0000 51839.8436 -109495.7973 297.9243 -161335.6409 -109133.5629 298.9065 -0.0286 26.9586 763954.5374 4.5266 4.4108 PRESSURE: 3473000 -107.607 218.566 91.1081 218.567 -81.7008 -32.0169 91.1067 -32.0166 -395.234 GPRESSURE: 3473000 -12.1913 150.395 142.64 214.148 -111.462 -5.11403 48.9051 0.114342 -383.575 PRESSAVG: 3473000 61.2982 -38.0138 37.5896 -38.0137 -40.7269 -7.33421 37.5895 -7.33416 -12.1091 GPRESSAVG: 3473000 60.5159 -37.356 35.4172 -37.786 -40.982 -7.44674 38.3359 -8.08965 -11.5571 TIMING: 3473000 CPU: 10975.8, 0.0031425/step Wall: 10975.8, 0.0031425/step, 1.33294 hours remaining, 237.902344 MB of memory in use. ENERGY: 3473000 3969.2026 20446.8808 14479.2931 232.5949 -203169.6107 2416.9430 0.0000 0.0000 52355.9800 -109268.7162 300.8905 -161624.6963 -108901.9168 299.4519 -194.8474 -169.0760 762892.3411 2.8207 2.6589 PRESSURE: 3473200 -89.1935 -202.4 135.552 -202.4 156.756 -55.9556 135.552 -55.9556 37.7742 GPRESSURE: 3473200 -6.7098 -198.074 143.202 -323.485 115.239 -78.3776 -15.83 -92.7663 76.562 PRESSAVG: 3473200 -20.9372 -1.44085 38.1754 -1.44086 21.3199 -14.3465 38.1753 -14.3464 12.409 GPRESSAVG: 3473200 -20.1619 -2.68347 38.7236 -1.79638 20.9162 -13.9892 37.7872 -13.5781 12.103 TIMING: 3473200 CPU: 10976.4, 0.00315247/step Wall: 10976.4, 0.00315247/step, 1.337 hours remaining, 237.902344 MB of memory in use. ENERGY: 3473200 4091.3087 20499.1085 14433.5017 230.4779 -203681.2167 2850.3096 0.0000 0.0000 52191.7196 -109384.7906 299.9465 -161576.5102 -109029.5397 298.8984 35.1122 61.6972 763800.2811 4.2639 4.2858 PRESSURE: 3473400 -110.818 -238.408 -132.151 -238.408 -44.8092 -68.9498 -132.151 -68.9501 90.5729 GPRESSURE: 3473400 -10.6702 -115.061 -195.212 -151.53 -77.087 -101.906 42.1994 38.0935 109.734 PRESSAVG: 3473400 15.0074 -45.0552 21.7676 -45.0552 -34.4705 -29.0431 21.7676 -29.0432 3.10413 GPRESSAVG: 3473400 14.8002 -44.2663 22.4478 -47.55 -34.1622 -30.0884 21.6064 -27.6947 2.27006 TIMING: 3473400 CPU: 10977, 0.00315069/step Wall: 10977, 0.00315069/step, 1.33607 hours remaining, 237.902344 MB of memory in use. ENERGY: 3473400 4007.2482 20648.8829 14429.0868 235.4806 -203700.7090 2851.9418 0.0000 0.0000 52013.5279 -109514.5408 298.9225 -161528.0687 -109154.6106 299.1694 -21.6849 7.3255 762320.6023 -5.4530 -5.6973 PRESSURE: 3473600 -192.01 -23.4042 -146.205 -23.4041 -72.4604 32.447 -146.205 32.4471 -399.722 GPRESSURE: 3473600 -150.117 -107.407 -86.2709 -216.976 -6.82661 27.7228 -85.235 -45.4413 -420.128 PRESSAVG: 3473600 -12.4437 -79.3012 -21.4265 -79.3012 19.364 19.7663 -21.4266 19.7663 -0.502379 GPRESSAVG: 3473600 -12.8723 -79.4846 -20.5401 -76.0789 19.7138 20.5549 -21.169 17.8665 -0.501271 TIMING: 3473600 CPU: 10977.6, 0.0031487/step Wall: 10977.6, 0.0031487/step, 1.33505 hours remaining, 237.902344 MB of memory in use. ENERGY: 3473600 3977.7965 20607.7576 14522.4355 249.6851 -202989.4122 2457.1430 0.0000 0.0000 51664.6772 -109509.9172 296.9176 -161174.5944 -109143.6435 298.9985 -221.3975 -192.3570 764144.0023 2.1393 2.1134 PRESSURE: 3473800 509.675 -174.289 -62.3275 -174.288 350.726 241.165 -62.3262 241.165 184.287 GPRESSURE: 3473800 537.651 -212.698 -105.205 -72.2254 398.771 200.855 -110.436 94.6005 194.38 PRESSAVG: 3473800 -2.8359 -11.1063 -43.0964 -11.1064 -39.661 0.333363 -43.0965 0.333367 -16.427 GPRESSAVG: 3473800 -3.90371 -11.2244 -44.1664 -11.1815 -39.2749 0.215351 -42.3289 1.3966 -16.1473 TIMING: 3473800 CPU: 10978.3, 0.00316851/step Wall: 10978.3, 0.00316851/step, 1.34327 hours remaining, 237.902344 MB of memory in use. ENERGY: 3473800 3992.5695 20392.7571 14481.6691 224.7258 -203639.4238 3045.1991 0.0000 0.0000 51939.6869 -109562.8162 298.4981 -161502.5030 -109199.2601 298.7821 348.2291 376.9339 762096.6984 -19.6413 -19.7753 PRESSURE: 3474000 192.776 -22.2913 -136.354 -22.2907 158.084 304.452 -136.355 304.452 -45.8925 GPRESSURE: 3474000 200.788 -70.0305 -116.999 30.0903 158.225 149.809 -166.073 369.979 24.1107 PRESSAVG: 3474000 32.8593 -21.2713 -5.52774 -21.2713 5.26524 33.5249 -5.52776 33.5249 -2.75441 GPRESSAVG: 3474000 34.0744 -21.3303 -4.65458 -21.3157 2.65412 33.6858 -6.55011 31.9112 -2.10999 TIMING: 3474000 CPU: 10978.9, 0.00316335/step Wall: 10978.9, 0.00316335/step, 1.34091 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3474000 4069.1263 20469.0455 14413.6585 229.2691 -203100.7534 2506.3811 0.0000 0.0000 51937.6613 -109475.6115 298.4865 -161413.2728 -109127.4059 299.0203 101.6561 127.7078 763004.5022 11.7900 11.5395 PRESSURE: 3474200 1.1517 23.0574 -75.2135 23.0577 -19.0305 -117.036 -75.2143 -117.036 -47.208 GPRESSURE: 3474200 21.4248 23.9667 -115.085 -81.5941 31.2466 -159.398 -41.1718 -58.9372 -21.9701 PRESSAVG: 3474200 25.6256 8.45432 -47.2693 8.45432 -13.212 3.53055 -47.2694 3.53051 -3.71391 GPRESSAVG: 3474200 24.9843 8.18629 -48.7042 7.22402 -11.8236 2.76031 -47.8264 2.50666 -4.69768 TIMING: 3474200 CPU: 10979.5, 0.00315389/step Wall: 10979.5, 0.00315389/step, 1.33673 hours remaining, 237.902344 MB of memory in use. ENERGY: 3474200 3959.0514 20496.1632 14416.6121 242.3138 -202922.4584 2426.4982 0.0000 0.0000 52141.5009 -109240.3188 299.6579 -161381.8196 -108874.7667 299.6734 -21.6956 10.2337 761413.2753 2.8999 2.8210 PRESSURE: 3474400 -69.1423 -88.294 11.1672 -88.2942 110.755 195.746 11.1672 195.744 343.527 GPRESSURE: 3474400 -65.6358 -118.877 102.522 -97.8956 148.11 155.877 30.6493 87.7685 406.03 PRESSAVG: 3474400 -68.3523 23.7317 -18.069 23.7317 65.8861 21.4856 -18.0691 21.4857 -1.10012 GPRESSAVG: 3474400 -68.873 24.7931 -17.46 25.0408 64.8945 22.5791 -18.21 21.2597 0.159805 TIMING: 3474400 CPU: 10980.2, 0.00315421/step Wall: 10980.2, 0.00315421/step, 1.33669 hours remaining, 237.902344 MB of memory in use. ENERGY: 3474400 4046.1378 20488.1498 14456.7250 239.8926 -203350.5630 2732.3003 0.0000 0.0000 52302.1001 -109085.2574 300.5809 -161387.3575 -108738.6285 299.7399 128.3801 162.8348 761514.6657 -1.1888 -1.2729 PRESSURE: 3474600 242.223 -64.6256 258.024 -64.6266 49.4577 -71.829 258.024 -71.8288 -173.876 GPRESSURE: 3474600 167.812 8.80087 257.033 -129.998 163.642 -7.60928 181.121 -80.7015 -139.609 PRESSAVG: 3474600 -25.2429 -47.9589 25.9587 -47.9589 32.1669 58.2512 25.9587 58.2513 16.0423 GPRESSAVG: 3474600 -24.1121 -46.4268 26.1411 -48.3964 33.1301 57.7023 27.1154 62.3733 14.1499 TIMING: 3474600 CPU: 10980.8, 0.00316767/step Wall: 10980.8, 0.00316767/step, 1.34221 hours remaining, 237.902344 MB of memory in use. ENERGY: 3474600 4061.0634 20487.9162 14468.8045 232.1462 -203282.7175 2724.1662 0.0000 0.0000 52117.5733 -109191.0478 299.5204 -161308.6210 -108831.3190 300.0570 39.2681 63.9483 763243.3111 7.6554 7.7226 PRESSURE: 3474800 108.383 88.0037 -63.0261 88.0048 53.8505 -122.399 -63.0249 -122.399 132.597 GPRESSURE: 3474800 52.9877 6.66686 -71.2168 145.151 95.4514 -72.0925 -69.3348 -61.9545 213.6 PRESSAVG: 3474800 -30.5728 -10.221 -6.47544 -10.221 10.3423 52.0194 -6.47549 52.0194 8.73662 GPRESSAVG: 3474800 -31.7916 -12.1248 -6.58058 -10.2285 10.1556 52.0449 -9.4283 49.7269 10.0891 TIMING: 3474800 CPU: 10981.4, 0.00315523/step Wall: 10981.4, 0.00315523/step, 1.33677 hours remaining, 237.902344 MB of memory in use. ENERGY: 3474800 3999.5737 20794.2245 14407.1062 252.8032 -203114.6872 2543.3710 0.0000 0.0000 52009.2820 -109108.3267 298.8981 -161117.6087 -108749.5612 299.7153 98.2768 120.6798 764252.6341 -3.8313 -3.8489 PRESSURE: 3475000 265.846 -82.1326 -82.36 -82.1335 304.365 -46.3628 -82.3595 -46.3624 266.193 GPRESSURE: 3475000 280.089 20.1185 -10.1659 35.0859 379.372 -132.669 -4.20195 44.3094 274.129 PRESSAVG: 3475000 28.5859 -66.3601 -25.4434 -66.3601 24.0802 6.94023 -25.4434 6.9402 -16.1074 GPRESSAVG: 3475000 28.698 -67.1113 -24.8583 -65.0183 24.1474 5.37495 -25.6389 8.32585 -16.3285 TIMING: 3475000 CPU: 10982.1, 0.00314854/step Wall: 10982.1, 0.00314854/step, 1.33376 hours remaining, 237.902344 MB of memory in use. ENERGY: 3475000 3951.2638 20466.5455 14486.8337 235.8267 -203749.0768 2892.9451 0.0000 0.0000 52085.9259 -109629.7362 299.3385 -161715.6621 -109272.6082 299.7971 278.8016 311.1965 761285.7736 12.1862 12.1723 PRESSURE: 3475200 -481.922 -163.236 -18.5575 -163.236 -385.585 88.3609 -18.5574 88.3611 169.354 GPRESSURE: 3475200 -419.95 -168.047 20.0065 -68.287 -399.606 170.539 33.6745 -14.892 208.689 PRESSAVG: 3475200 -3.73283 -45.7008 31.059 -45.7008 -8.22873 50.4095 31.0591 50.4096 1.33607 GPRESSAVG: 3475200 -2.66722 -44.3142 30.0027 -47.7536 -10.6024 54.4317 32.2382 46.0998 1.66257 TIMING: 3475200 CPU: 10982.7, 0.00313095/step Wall: 10982.7, 0.00313095/step, 1.32613 hours remaining, 237.902344 MB of memory in use. ENERGY: 3475200 4006.7238 20314.3565 14522.3412 235.4292 -203187.5239 2579.7686 0.0000 0.0000 51837.4265 -109691.4781 297.9104 -161528.9046 -109338.6319 299.0084 -232.7178 -203.6223 763261.4700 -3.5418 -3.8690 PRESSURE: 3475400 7.46104 -47.9259 50.722 -47.9273 -309.687 110.181 50.7221 110.181 155.286 GPRESSURE: 3475400 89.2464 -58.7664 81.5997 -141.02 -298.566 192.882 -17.7401 97.6611 152.245 PRESSAVG: 3475400 -9.92763 -91.9486 -11.429 -91.9486 53.0589 -20.0092 -11.429 -20.0092 -6.8713 GPRESSAVG: 3475400 -11.5041 -93.0433 -10.4274 -89.5928 54.2272 -23.7405 -10.5009 -16.5078 -6.84734 TIMING: 3475400 CPU: 10983.3, 0.00314002/step Wall: 10983.3, 0.00314002/step, 1.3298 hours remaining, 237.902344 MB of memory in use. ENERGY: 3475400 4009.8107 20411.2633 14494.8419 244.2422 -203350.0009 2588.1261 0.0000 0.0000 52001.7489 -109599.9678 298.8548 -161601.7168 -109238.5845 298.7812 -48.9798 -19.0252 762293.8774 12.0867 11.9586 PRESSURE: 3475600 276.172 55.5797 -137.377 55.579 243.554 -23.8972 -137.377 -23.897 214.562 GPRESSURE: 3475600 233.447 110.309 -35.4646 53.613 356.705 -71.5941 -193.168 -51.9807 236.05 PRESSAVG: 3475600 21.3873 -45.1865 14.8387 -45.1865 -5.66585 -7.70161 14.8386 -7.70159 4.83795 GPRESSAVG: 3475600 21.6589 -45.5969 15.6444 -46.446 -3.84368 -6.57143 14.0311 -8.30536 3.47786 TIMING: 3475600 CPU: 10983.9, 0.00314447/step Wall: 10983.9, 0.00314447/step, 1.33151 hours remaining, 237.902344 MB of memory in use. ENERGY: 3475600 4029.7774 20385.4184 14520.9847 232.3986 -203390.1780 2501.5906 0.0000 0.0000 52026.8870 -109693.1214 298.9992 -161720.0085 -109327.1345 298.3062 244.7626 275.4008 760444.3260 6.8531 7.0977 PRESSURE: 3475800 299.439 337.702 -105.711 337.702 -148.106 -144.307 -105.711 -144.306 60.9103 GPRESSURE: 3475800 403.822 258.304 -112.925 323.769 -166.048 -141.465 41.8204 -233.336 33.0056 PRESSAVG: 3475800 37.3997 -11.4408 28.5619 -11.4408 -18.7598 -22.3475 28.562 -22.3474 7.99887 GPRESSAVG: 3475800 38.0015 -8.73219 26.524 -12.2951 -20.0202 -20.6985 29.4204 -22.684 8.68607 TIMING: 3475800 CPU: 10984.6, 0.00315054/step Wall: 10984.6, 0.00315054/step, 1.33391 hours remaining, 237.902344 MB of memory in use. ENERGY: 3475800 3988.7004 20380.7470 14468.7862 243.1146 -203258.5347 2487.9087 0.0000 0.0000 51913.8140 -109775.4638 298.3494 -161689.2778 -109420.0473 298.5648 70.7476 90.2598 761132.4378 8.8796 8.8891 PRESSURE: 3476000 77.0017 -270.065 194.995 -270.066 -295.506 -42.9244 194.994 -42.9235 -79.974 GPRESSURE: 3476000 78.5306 -151.067 224.822 -176.089 -278.636 -11.3934 206.866 9.0182 -10.3393 PRESSAVG: 3476000 36.0891 9.91933 30.1336 9.91927 -28.8696 11.4347 30.1335 11.4348 -6.56851 GPRESSAVG: 3476000 36.1052 8.2118 29.889 10.9822 -29.1018 11.1033 29.8964 10.1851 -5.56413 TIMING: 3476000 CPU: 10985.2, 0.00312862/step Wall: 10985.2, 0.00312862/step, 1.32445 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3476000 4058.9245 20542.4927 14436.7773 235.8887 -203873.5980 2829.1286 0.0000 0.0000 51976.6947 -109793.6914 298.7108 -161770.3861 -109440.0836 298.7556 -99.4928 -70.1484 760124.4554 0.2170 0.4798 PRESSURE: 3476200 -322.927 122.372 -42.4548 122.371 -140.67 201.356 -42.4554 201.356 36.193 GPRESSURE: 3476200 -236.581 113.562 -45.0443 120.137 -175.204 243.714 -98.4263 147.661 63.6595 PRESSAVG: 3476200 34.7755 -20.2959 49.4402 -20.2959 14.2585 -4.39314 49.4402 -4.39314 -9.22035 GPRESSAVG: 3476200 34.7546 -20.313 49.4953 -19.6987 15.3134 -6.1273 50.3921 -0.470255 -10.5992 TIMING: 3476200 CPU: 10985.8, 0.00312975/step Wall: 10985.8, 0.00312975/step, 1.32475 hours remaining, 237.902344 MB of memory in use. ENERGY: 3476200 3999.7349 20435.7932 14471.4814 245.9458 -203474.2326 2390.1819 0.0000 0.0000 52137.9336 -109793.1618 299.6374 -161931.0954 -109435.5316 298.9245 -142.4682 -116.0419 761041.9549 13.2712 13.1562 LDB: ============= START OF LOAD BALANCING ============== 10998.2 LDB: ============== END OF LOAD BALANCING =============== 10998.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10998.2 LDB: ============= START OF LOAD BALANCING ============== 10998.5 LDB: Largest compute 7064 load 0.031593 is 16.1% of average load 0.196039 LDB: Average compute 0.004370 is 2.2% of average load 0.196039 LDB: TIME 10998.5 LOAD: AVG 0.196039 MAX 0.216143 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 10998.5 LOAD: AVG 0.196039 MAX 0.216143 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: TIME 10998.5 LOAD: AVG 0.196039 MAX 0.216143 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.441 MB LDB: ============== END OF LOAD BALANCING =============== 10998.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10998.6 PRESSURE: 3476400 25.5711 -94.0497 66.4554 -94.0493 130.546 -87.5938 66.4553 -87.5953 -256.669 GPRESSURE: 3476400 -3.94728 -174.033 61.5447 -86.6493 212.624 -83.4192 6.21818 -23.7446 -217.485 PRESSAVG: 3476400 -23.8198 -15.5334 8.83933 -15.5333 13.239 -21.7043 8.83933 -21.7043 -12.7112 GPRESSAVG: 3476400 -24.305 -16.034 9.62354 -14.8656 12.8208 -19.9553 6.84562 -24.0622 -11.5212 TIMING: 3476400 CPU: 10986.5, 0.00320563/step Wall: 10986.5, 0.00320563/step, 1.35669 hours remaining, 238.414062 MB of memory in use. ENERGY: 3476400 4013.1508 20491.3075 14538.9531 246.0036 -203511.9920 2678.3469 0.0000 0.0000 52046.7715 -109497.4586 299.1135 -161544.2301 -109136.8311 299.0148 -33.5171 -2.9361 761688.3522 -7.7640 -7.6685 PRESSURE: 3476600 114.923 234.742 -97.432 234.741 -451.008 217.572 -97.4316 217.573 -123.299 GPRESSURE: 3476600 29.1236 182.271 -55.0517 271.902 -336.978 230.74 36.5784 244.579 -67.8763 PRESSAVG: 3476600 -28.4082 8.58241 -3.87015 8.58245 -9.6342 50.1641 -3.87022 50.164 -6.02967 GPRESSAVG: 3476600 -28.6971 9.7465 -4.13093 7.59805 -9.09516 49.5461 -2.68958 50.9342 -5.73082 TIMING: 3476600 CPU: 10987.1, 0.0031559/step Wall: 10987.1, 0.0031559/step, 1.33547 hours remaining, 238.414062 MB of memory in use. ENERGY: 3476600 4013.5407 20707.7043 14521.7649 255.4606 -203424.2437 2566.1429 0.0000 0.0000 51894.6974 -109464.9331 298.2395 -161359.6305 -109106.0222 299.0372 -153.1280 -125.2436 762432.2432 -14.6907 -14.5077 PRESSURE: 3476800 -145.547 -131.331 6.32417 -131.331 3.57272 -10.6015 6.32353 -10.6019 29.8811 GPRESSURE: 3476800 -47.5257 -177.323 63.9548 -100.583 -13.4408 -88.7965 -22.3684 -111.871 20.8525 PRESSAVG: 3476800 36.0314 -14.5432 63.9579 -14.5432 -62.2886 -5.21555 63.9579 -5.21554 18.1507 GPRESSAVG: 3476800 36.3885 -13.2672 65.1348 -15.8868 -60.9205 -6.92256 64.1358 -4.76963 16.1504 TIMING: 3476800 CPU: 10987.7, 0.00316074/step Wall: 10987.7, 0.00316074/step, 1.33734 hours remaining, 238.414062 MB of memory in use. ENERGY: 3476800 3979.4643 20607.1073 14413.3052 241.6834 -203317.1716 2469.8201 0.0000 0.0000 51994.1088 -109611.6825 298.8109 -161605.7913 -109245.7418 298.5439 -37.3643 -13.3714 763303.8015 -2.7022 -2.7939 PRESSURE: 3477000 34.3865 71.9171 68.4918 71.9166 -83.9486 168.945 68.4914 168.945 290.032 GPRESSURE: 3477000 93.5276 46.6217 156.473 92.5801 -145.739 186.323 -13.9085 95.4468 358.695 PRESSAVG: 3477000 24.4377 2.77571 34.4796 2.77572 26.0933 -24.1182 34.4796 -24.1181 4.18316 GPRESSAVG: 3477000 25.0787 3.00925 32.7959 1.90653 24.024 -24.8476 33.6876 -23.7811 5.52431 TIMING: 3477000 CPU: 10988.4, 0.00314653/step Wall: 10988.4, 0.00314653/step, 1.33116 hours remaining, 238.414062 MB of memory in use. ENERGY: 3477000 3957.8572 20452.6694 14533.3993 220.9677 -203555.5072 2658.0745 0.0000 0.0000 52008.2136 -109724.3255 298.8919 -161732.5391 -109361.1085 298.4771 80.1567 102.1613 761081.5813 18.2380 18.2090 PRESSURE: 3477200 -110.245 61.2476 42.8782 61.2484 -241.263 4.84755 42.8787 4.84696 -53.4995 GPRESSURE: 3477200 -95.0408 171.073 60.2394 -3.43021 -232.495 39.4393 26.5578 27.8598 5.20603 PRESSAVG: 3477200 -6.73677 -17.6082 7.60603 -17.6082 0.53784 7.71687 7.60609 7.71687 -2.76854 GPRESSAVG: 3477200 -7.26078 -19.5494 7.10085 -15.3018 1.97102 10.2794 6.9832 4.87724 -3.8732 TIMING: 3477200 CPU: 10989, 0.00315149/step Wall: 10989, 0.00315149/step, 1.33308 hours remaining, 238.414062 MB of memory in use. ENERGY: 3477200 4026.7668 20526.8914 14529.1737 233.0426 -203673.4473 2724.2720 0.0000 0.0000 51954.7101 -109678.5907 298.5844 -161633.3008 -109320.4705 298.6240 -135.0026 -107.4433 762075.9040 -2.9892 -3.0543 PRESSURE: 3477400 188.835 -146.142 17.4926 -146.142 11.0183 80.8601 17.4919 80.8601 -355.805 GPRESSURE: 3477400 188.733 -172.544 -52.2805 -181.655 55.6954 -25.3076 -26.8832 55.0161 -314.65 PRESSAVG: 3477400 4.67929 -22.1579 10.0348 -22.158 10.746 8.51891 10.0347 8.5189 0.620881 GPRESSAVG: 3477400 4.25085 -20.9318 11.5252 -21.1849 10.132 7.01306 12.8893 11.0487 1.83937 TIMING: 3477400 CPU: 10989.6, 0.0031443/step Wall: 10989.6, 0.0031443/step, 1.32987 hours remaining, 238.414062 MB of memory in use. ENERGY: 3477400 4066.9781 20435.0714 14433.8100 258.5408 -203249.2405 2447.0251 0.0000 0.0000 52085.7932 -109522.0218 299.3378 -161607.8151 -109156.0161 298.5777 -51.9838 -23.4072 760729.2203 5.3487 5.4074 PRESSURE: 3477600 195.243 -128.774 -121.398 -128.774 24.8461 79.4798 -121.397 79.4815 29.93 GPRESSURE: 3477600 175.888 -88.0728 -89.9625 -84.1605 133.204 100.633 -105.054 140.668 16.496 PRESSAVG: 3477600 -22.0577 -15.8726 31.5749 -15.8726 3.66664 79.2974 31.575 79.2974 -2.96303 GPRESSAVG: 3477600 -23.3315 -15.5584 32.6305 -17.6409 4.60913 79.2677 31.5288 79.4076 -2.87871 TIMING: 3477600 CPU: 10990.2, 0.00314333/step Wall: 10990.2, 0.00314333/step, 1.32928 hours remaining, 238.414062 MB of memory in use. ENERGY: 3477600 3905.0666 20538.1221 14449.2840 249.9528 -203756.6347 2844.6388 0.0000 0.0000 52019.4646 -109750.1058 298.9566 -161769.5704 -109398.7019 299.0201 83.3396 108.5296 761964.6664 -7.1180 -7.2004 PRESSURE: 3477800 -447.811 -133.965 -127.826 -133.965 151.398 -139.839 -127.827 -139.839 279.045 GPRESSURE: 3477800 -319.407 -194.233 -81.1858 -196.828 122.137 -152.992 -165.959 -49.4463 264.253 PRESSAVG: 3477800 2.42675 -60.6191 38.4718 -60.6191 -21.5243 0.00381676 38.4719 0.00376519 0.852083 GPRESSAVG: 3477800 4.22115 -59.5871 37.1408 -60.4702 -22.5521 1.08551 38.0409 -2.46915 0.399288 TIMING: 3477800 CPU: 10990.9, 0.00312899/step Wall: 10990.9, 0.00312899/step, 1.32304 hours remaining, 238.414062 MB of memory in use. ENERGY: 3477800 3991.7569 20474.4282 14424.8195 253.1965 -203587.0880 2698.0415 0.0000 0.0000 52136.0388 -109608.8066 299.6265 -161744.8454 -109239.8748 298.8671 -5.7895 22.3274 763234.7481 -6.0818 -5.9772 PRESSURE: 3478000 179.628 -54.8305 -241.493 -54.8296 -91.2611 120.066 -241.493 120.068 191.947 GPRESSURE: 3478000 258.526 -23.342 -192.338 100.777 -129.467 129.133 -209.017 33.7545 254.539 PRESSAVG: 3478000 18.6855 0.613731 74.2365 0.613725 -25.1691 44.926 74.2364 44.9259 -1.65487 GPRESSAVG: 3478000 18.7388 -1.67418 73.8525 2.89856 -23.7326 45.0438 74.179 44.9972 -2.65685 TIMING: 3478000 CPU: 10991.5, 0.00314508/step Wall: 10991.5, 0.00314508/step, 1.32967 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3478000 3946.9484 20509.8413 14460.8343 246.2694 -203765.4504 2864.3327 0.0000 0.0000 52015.9080 -109721.3163 298.9361 -161737.2243 -109358.9008 299.0498 93.4380 127.8660 761245.9265 -2.7128 -2.5502 PRESSURE: 3478200 -161.224 -74.4021 37.3953 -74.4026 -17.486 177.592 37.3948 177.591 -28.1101 GPRESSURE: 3478200 -175.129 -88.2964 81.9696 -14.7452 10.8007 159.7 53.4787 130.081 42.0608 PRESSAVG: 3478200 -17.9103 -17.1546 -14.0773 -17.1546 45.4769 39.0956 -14.0773 39.0956 9.509 GPRESSAVG: 3478200 -18.6629 -16.0193 -14.9938 -17.8343 43.9661 38.8717 -11.6052 38.607 11.0579 TIMING: 3478200 CPU: 10992.1, 0.00313739/step Wall: 10992.1, 0.00313739/step, 1.32624 hours remaining, 238.414062 MB of memory in use. ENERGY: 3478200 4016.0188 20559.4373 14442.1805 244.0703 -203641.2884 2735.6483 0.0000 0.0000 52024.8874 -109619.0459 298.9877 -161643.9334 -109256.0610 298.2526 -68.9402 -40.7559 762109.0294 12.3585 12.1204 PRESSURE: 3478400 12.7459 -123.86 -258.631 -123.861 -212.006 34.9984 -258.632 34.9971 -198.442 GPRESSURE: 3478400 -22.1789 -56.4521 -212.874 -150.964 -115.603 52.5184 -109.408 76.8985 -161.488 PRESSAVG: 3478400 -18.129 -5.81679 26.8244 -5.81681 31.3161 -20.1859 26.8244 -20.186 -3.76163 GPRESSAVG: 3478400 -19.5178 -6.50318 28.8455 -6.00664 32.6096 -20.8695 23.9538 -19.0741 -4.10548 TIMING: 3478400 CPU: 10992.8, 0.00314486/step Wall: 10992.8, 0.00314486/step, 1.32923 hours remaining, 238.414062 MB of memory in use. ENERGY: 3478400 3962.2674 20531.9224 14475.5000 231.3301 -203776.9667 2950.7330 0.0000 0.0000 51887.9008 -109737.3129 298.2005 -161625.2137 -109371.3627 298.6474 -132.5675 -99.7565 761809.9093 3.1418 2.9954 PRESSURE: 3478600 -71.3142 316.36 -16.8363 316.36 -424.171 29.0743 -16.8357 29.074 -39.9289 GPRESSURE: 3478600 -52.6598 333.755 -55.9454 214.063 -399.586 -27.4993 -137.182 10.9898 -0.805838 PRESSAVG: 3478600 6.55711 39.4596 -22.2909 39.4596 10.0619 -1.08018 -22.291 -1.08018 11.2527 GPRESSAVG: 3478600 7.26149 39.9766 -22.1084 39.0095 9.90782 -0.982374 -21.4269 -0.469145 10.305 TIMING: 3478600 CPU: 10993.4, 0.00314971/step Wall: 10993.4, 0.00314971/step, 1.3311 hours remaining, 238.414062 MB of memory in use. ENERGY: 3478600 3991.9082 20424.9729 14464.6773 234.3105 -203143.7166 2339.2747 0.0000 0.0000 52046.0406 -109642.5325 299.1093 -161688.5731 -109282.3682 298.6816 -178.4714 -151.0171 763647.0182 9.2906 9.1581 PRESSURE: 3478800 -87.0999 -138.383 50.971 -138.384 -89.8188 38.5771 50.9707 38.5764 60.4499 GPRESSURE: 3478800 2.97971 -166.098 -59.2495 -148.383 -49.0989 10.811 31.7089 101.006 8.15865 PRESSAVG: 3478800 31.787 -23.4192 16.189 -23.4192 -27.0528 -14.4698 16.189 -14.4699 1.81674 GPRESSAVG: 3478800 31.0929 -23.8622 17.0335 -25.1974 -27.7085 -12.9306 12.9115 -16.024 2.58803 TIMING: 3478800 CPU: 10994, 0.00313646/step Wall: 10994, 0.00313646/step, 1.32533 hours remaining, 238.414062 MB of memory in use. ENERGY: 3478800 3982.8082 20600.4176 14413.0501 252.8916 -202931.0137 2462.3483 0.0000 0.0000 51786.4101 -109433.0878 297.6172 -161219.4978 -109079.3880 298.7427 -38.8229 -12.6535 762746.7165 2.1837 1.9908 PRESSURE: 3479000 12.6711 -137.992 -29.9429 -137.992 -87.7378 281.475 -29.9438 281.474 28.8894 GPRESSURE: 3479000 114.795 -91.5154 -36.1709 -104.559 -114.936 291.545 68.1434 187.785 25.6621 PRESSAVG: 3479000 -23.9993 13.3966 -22.5625 13.3966 -18.8189 21.7688 -22.5625 21.7688 5.34366 GPRESSAVG: 3479000 -22.2163 13.2695 -23.8701 16.4324 -19.7095 20.4117 -19.3263 23.9655 4.58671 TIMING: 3479000 CPU: 10994.6, 0.00314653/step Wall: 10994.6, 0.00314654/step, 1.32941 hours remaining, 238.414062 MB of memory in use. ENERGY: 3479000 3983.9902 20493.2729 14394.2424 248.3831 -203316.7245 2382.0002 0.0000 0.0000 52096.6439 -109718.1917 299.4001 -161814.8356 -109359.8624 298.8862 -15.3924 8.5073 759967.2683 -12.4915 -12.4464 PRESSURE: 3479200 480.335 -65.562 423.056 -65.5619 -10.1548 155.869 423.054 155.869 -418.012 GPRESSURE: 3479200 444.995 -19.0805 422.812 -49.5298 79.163 154.99 211.496 121.479 -391.96 PRESSAVG: 3479200 26.6817 -15.4089 28.5465 -15.4088 -14.2099 -34.3064 28.5465 -34.3064 2.98085 GPRESSAVG: 3479200 25.5179 -14.25 29.2028 -16.751 -13.5667 -34.9925 27.7437 -33.3032 3.7422 TIMING: 3479200 CPU: 10995.3, 0.00314793/step Wall: 10995.3, 0.00314793/step, 1.32983 hours remaining, 238.414062 MB of memory in use. ENERGY: 3479200 4051.0776 20499.8877 14444.1280 267.1435 -203895.9822 2748.0711 0.0000 0.0000 52098.8140 -109786.8602 299.4126 -161885.6742 -109429.0887 298.6195 17.3896 44.0658 759555.8918 5.1509 5.2311 PRESSURE: 3479400 -22.3122 -30.8103 -235.401 -30.8106 -251.337 55.7237 -235.4 55.7241 40.4219 GPRESSURE: 3479400 -4.93737 -64.577 -153.658 -54.7201 -145.958 74.477 -322.185 48.5764 -1.68925 PRESSAVG: 3479400 -21.982 -11.7204 51.2797 -11.7204 -1.70205 -11.9704 51.2797 -11.9704 -1.12344 GPRESSAVG: 3479400 -20.2534 -12.7351 49.7593 -12.3488 -1.93544 -10.2802 52.1559 -15.2176 -1.77093 TIMING: 3479400 CPU: 10995.9, 0.00314964/step Wall: 10995.9, 0.00314964/step, 1.33037 hours remaining, 238.414062 MB of memory in use. ENERGY: 3479400 3951.5844 20518.8148 14463.1029 248.5299 -203366.4282 2264.2960 0.0000 0.0000 52280.2865 -109639.8138 300.4555 -161920.1003 -109276.1841 298.9110 -77.7426 -50.8616 760274.9029 -8.2691 -7.9866 PRESSURE: 3479600 22.562 48.8736 11.8527 48.8726 329.909 20.6394 11.8529 20.6392 316.149 GPRESSURE: 3479600 99.3149 -33.3218 34.5712 -78.9005 324.321 -12.3058 -62.4559 78.616 334.182 PRESSAVG: 3479600 -15.8751 5.15238 71.4659 5.1524 -52.0869 -34.5974 71.466 -34.5974 4.81901 GPRESSAVG: 3479600 -16.8021 5.58201 72.2578 2.95283 -52.1478 -37.4681 71.4152 -33.3878 5.65905 TIMING: 3479600 CPU: 10996.5, 0.00314146/step Wall: 10996.5, 0.00314146/step, 1.32674 hours remaining, 238.414062 MB of memory in use. ENERGY: 3479600 4018.2678 20525.8343 14402.1288 271.9537 -203329.5709 2619.9758 0.0000 0.0000 51891.5461 -109599.8644 298.2214 -161491.4105 -109238.1444 299.0382 222.8734 252.6059 762841.0529 -21.0477 -21.0970 PRESSURE: 3479800 -64.9248 -22.3992 198.655 -22.3992 -115.278 289.765 198.655 289.765 -176.051 GPRESSURE: 3479800 -102.054 127.911 201.067 122.898 -49.0767 309.337 187.055 290.643 -120.465 PRESSAVG: 3479800 -2.45323 -27.2099 13.2312 -27.2098 57.2033 37.0143 13.2311 37.0144 2.87604 GPRESSAVG: 3479800 -3.07364 -26.4412 14.0447 -25.1971 57.3267 36.9167 11.2378 36.8243 3.80378 TIMING: 3479800 CPU: 10997.2, 0.00315078/step Wall: 10997.2, 0.00315078/step, 1.33051 hours remaining, 238.414062 MB of memory in use. ENERGY: 3479800 3972.4899 20499.4155 14466.1754 247.2350 -203996.8651 2843.3133 0.0000 0.0000 52083.9745 -109884.2614 299.3273 -161968.2359 -109519.5680 299.0505 -118.7513 -90.5317 759580.5771 19.2087 19.3523 PRESSURE: 3480000 63.3573 131.891 47.6332 131.891 -314.623 -61.9796 47.6338 -61.9794 -175.635 GPRESSURE: 3480000 82.2244 102.984 -57.5202 71.8566 -242.569 -46.2951 121.378 -130.556 -192.459 PRESSAVG: 3480000 6.90973 17.0416 54.2578 17.0415 -10.0892 -35.8701 54.2577 -35.8702 9.17412 GPRESSAVG: 3480000 7.90694 16.2343 54.5607 17.1279 -9.99837 -35.1318 55.4588 -34.8105 7.3996 TIMING: 3480000 CPU: 10997.8, 0.00313968/step Wall: 10997.8, 0.00313968/step, 1.32564 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3480000 4000.5375 20511.6833 14498.7809 246.9208 -203611.3606 2735.8308 0.0000 0.0000 51734.2507 -109883.3567 297.3174 -161617.6074 -109518.2586 298.6206 -142.3002 -117.6010 760951.2725 1.9982 1.7694 PRESSURE: 3480200 -244.358 14.6029 138.676 14.6038 -194.443 309.163 138.676 309.162 13.1225 GPRESSURE: 3480200 -314.814 -13.8626 120.734 -7.9867 -154.148 375.983 167.527 279.246 121.02 PRESSAVG: 3480200 -43.7843 -7.36205 43.9666 -7.36209 30.8562 34.9875 43.9666 34.9875 2.09879 GPRESSAVG: 3480200 -44.8587 -5.95266 42.1249 -9.16455 31.8436 35.8573 45.1527 34.7879 1.62691 TIMING: 3480200 CPU: 10998.4, 0.00315405/step Wall: 10998.4, 0.00315405/step, 1.33154 hours remaining, 238.414062 MB of memory in use. ENERGY: 3480200 3968.0946 20506.3376 14461.6063 261.0298 -203307.1288 2558.8286 0.0000 0.0000 51828.8475 -109722.3844 297.8611 -161551.2320 -109357.2337 298.5895 -141.8928 -115.9806 762571.4410 -3.6098 -3.7961 LDB: ============= START OF LOAD BALANCING ============== 11010.8 LDB: ============== END OF LOAD BALANCING =============== 11010.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11010.8 LDB: ============= START OF LOAD BALANCING ============== 11011.1 LDB: Largest compute 7024 load 0.032727 is 16.7% of average load 0.196161 LDB: Average compute 0.004365 is 2.2% of average load 0.196161 LDB: TIME 11011.1 LOAD: AVG 0.196161 MAX 0.216208 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 11011.1 LOAD: AVG 0.196161 MAX 0.216208 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 11011.1 LOAD: AVG 0.196161 MAX 0.216208 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 11011.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11011.1 PRESSURE: 3480400 -158.322 -269.373 -124.972 -269.372 207.026 -223.35 -124.972 -223.349 -9.89644 GPRESSURE: 3480400 -24.8761 -356.713 -218.222 -212.434 158.351 -285.129 -26.6563 -256.455 -15.1697 PRESSAVG: 3480400 -42.5362 15.9158 8.11743 15.9158 19.5673 9.87566 8.11746 9.87566 0.830834 GPRESSAVG: 3480400 -41.1224 13.2309 9.59191 18.5433 18.6798 8.94446 6.76948 7.97593 1.00445 TIMING: 3480400 CPU: 10999.1, 0.00319386/step Wall: 10999.1, 0.00319386/step, 1.34816 hours remaining, 239.382812 MB of memory in use. ENERGY: 3480400 4030.0280 20442.1524 14455.8714 243.0289 -203923.1201 2805.7657 0.0000 0.0000 52235.2136 -109711.0601 300.1965 -161946.2737 -109352.5304 298.7047 12.9359 39.4350 759792.5046 -7.3794 -7.1461 PRESSURE: 3480600 -473.818 -279.354 53.1443 -279.354 91.3701 19.4741 53.1426 19.4735 41.3651 GPRESSURE: 3480600 -364.084 -209.865 35.8844 -206.891 -0.0795762 -50.1452 64.0488 107.554 97.5992 PRESSAVG: 3480600 -41.8659 -57.7396 -30.2214 -57.7396 58.3251 -6.45807 -30.2214 -6.45813 1.00361 GPRESSAVG: 3480600 -42.2293 -53.3968 -31.7783 -62.2401 57.9684 -6.18917 -28.9076 -3.77443 1.77743 TIMING: 3480600 CPU: 10999.7, 0.00313379/step Wall: 10999.7, 0.00313379/step, 1.32264 hours remaining, 239.382812 MB of memory in use. ENERGY: 3480600 3906.3858 20487.6194 14468.2617 243.5156 -203249.5121 2567.6486 0.0000 0.0000 51811.1223 -109764.9585 297.7592 -161576.0809 -109404.5267 299.2344 -113.6942 -88.8549 759841.9677 5.8209 5.8388 PRESSURE: 3480800 131.761 -40.0627 111.139 -40.0631 -227.392 43.5376 111.139 43.5364 -81.4879 GPRESSURE: 3480800 160.598 -115.45 159.038 68.4784 -189.249 -25.8523 50.0078 32.5631 -75.2485 PRESSAVG: 3480800 -9.73758 -41.2031 -19.9585 -41.203 49.7706 -2.35183 -19.9586 -2.35188 4.62468 GPRESSAVG: 3480800 -10.1075 -42.3986 -19.1545 -39.1448 51.1342 -1.67022 -21.3481 -3.05496 3.88355 TIMING: 3480800 CPU: 11000.3, 0.00314725/step Wall: 11000.3, 0.00314725/step, 1.32814 hours remaining, 239.382812 MB of memory in use. ENERGY: 3480800 3954.9538 20484.7755 14460.3094 268.1380 -203358.0337 2591.3085 0.0000 0.0000 51972.3951 -109626.1534 298.6861 -161598.5484 -109277.8440 298.8747 -59.0397 -34.6333 760412.7701 14.8859 14.9701 PRESSURE: 3481000 -1.06262 -123.487 72.6915 -123.486 5.25542 -26.415 72.691 -26.4149 338.389 GPRESSURE: 3481000 102.313 -48.0025 41.3627 -87.0467 -85.5272 -51.3143 -12.0764 26.7106 409.201 PRESSAVG: 3481000 -23.9599 0.852378 12.2297 0.852339 73.8445 16.4976 12.2298 16.4977 0.702581 GPRESSAVG: 3481000 -22.6935 -2.09588 11.3798 -0.14629 72.6092 15.1671 13.6509 16.9031 0.221905 TIMING: 3481000 CPU: 11001, 0.00315534/step Wall: 11001, 0.00315534/step, 1.33138 hours remaining, 239.382812 MB of memory in use. ENERGY: 3481000 3988.9856 20265.1532 14452.0716 249.0543 -203143.6580 2548.9975 0.0000 0.0000 52043.3703 -109596.0255 299.0940 -161639.3958 -109244.4508 299.2837 114.1940 141.9957 761401.6043 16.8624 16.7125 PRESSURE: 3481200 -70.9564 -225.771 -96.0848 -225.77 189.226 -199.103 -96.0849 -199.102 -107.766 GPRESSURE: 3481200 -9.64851 -158.33 -72.7303 -191.093 218.831 -188.441 -61.8899 -90.6115 -129.78 PRESSAVG: 3481200 -38.7106 1.97412 48.0112 1.97408 15.4798 7.66867 48.0113 7.66865 11.205 GPRESSAVG: 3481200 -38.0849 3.94402 47.5903 3.75393 14.6625 8.08432 46.9672 6.26679 11.3258 TIMING: 3481200 CPU: 11001.6, 0.00314689/step Wall: 11001.6, 0.00314689/step, 1.32764 hours remaining, 239.382812 MB of memory in use. ENERGY: 3481200 3970.2409 20517.0538 14432.2674 240.4545 -203747.7629 2711.2057 0.0000 0.0000 52249.0209 -109627.5197 300.2758 -161876.5406 -109255.9029 298.7711 3.5010 26.4676 762128.8674 -4.0086 -4.0322 PRESSURE: 3481400 -324.055 -129.981 -222.203 -129.981 -181.844 -70.8594 -222.203 -70.8602 -207.464 GPRESSURE: 3481400 -279.75 -176.322 -117.147 -124.371 -55.9916 -24.5495 -293.025 5.02257 -288.422 PRESSAVG: 3481400 -36.9278 -22.556 -30.2078 -22.5561 48.207 -30.9119 -30.2079 -30.9119 11.3955 GPRESSAVG: 3481400 -38.9701 -22.0162 -29.8204 -23.2455 50.3618 -30.1443 -28.9626 -30.9564 11.285 TIMING: 3481400 CPU: 11002.2, 0.00315514/step Wall: 11002.2, 0.00315514/step, 1.33094 hours remaining, 239.382812 MB of memory in use. ENERGY: 3481400 3988.9053 20417.6290 14460.2755 228.9486 -203507.2581 2534.2374 0.0000 0.0000 52066.7144 -109810.5478 299.2281 -161877.2622 -109442.1459 298.7723 -237.7877 -208.0548 763764.9525 7.5582 7.5589 PRESSURE: 3481600 9.6203 -82.8914 -74.814 -82.8917 56.9391 100.964 -74.8135 100.964 -119.803 GPRESSURE: 3481600 51.7033 -92.6642 -9.76299 -81.9749 188.061 170.011 -141.155 -29.038 -208.27 PRESSAVG: 3481600 -71.6319 -34.7649 13.496 -34.7649 47.1168 47.5047 13.4961 47.5047 14.7589 GPRESSAVG: 3481600 -70.6478 -35.0568 14.2236 -35.4404 46.161 45.9128 14.3174 48.8957 15.3473 TIMING: 3481600 CPU: 11002.8, 0.00316779/step Wall: 11002.8, 0.00316779/step, 1.3361 hours remaining, 239.382812 MB of memory in use. ENERGY: 3481600 3941.3581 20378.6619 14477.1736 264.6584 -203857.4804 2772.5415 0.0000 0.0000 52242.5034 -109780.5836 300.2384 -162023.0869 -109412.7146 298.6667 -17.7479 10.4983 760557.8359 -3.2521 -3.0465 PRESSURE: 3481800 -217.785 -50.4312 -87.4498 -50.4317 169.226 -129.664 -87.4494 -129.664 -393.106 GPRESSURE: 3481800 -133.334 -158.596 -55.3857 -42.6878 93.5631 -154.803 -84.8401 -99.27 -330.605 PRESSAVG: 3481800 -63.9121 -18.2657 -26.8922 -18.2658 77.0234 9.35161 -26.8922 9.35161 -7.31352 GPRESSAVG: 3481800 -62.961 -18.4101 -27.1807 -17.1807 76.2169 11.5229 -28.6385 7.99695 -8.01824 TIMING: 3481800 CPU: 11003.5, 0.00316956/step Wall: 11003.5, 0.00316955/step, 1.33667 hours remaining, 239.382812 MB of memory in use. ENERGY: 3481800 3961.0555 20565.9651 14400.3844 253.8432 -203381.0363 2625.2152 0.0000 0.0000 51818.6501 -109755.9228 297.8025 -161574.5729 -109394.1174 299.0290 -147.2216 -123.4587 760883.2175 1.9326 1.7459 PRESSURE: 3482000 49.6172 44.6625 19.4516 44.6629 -249.05 -143.701 19.4515 -143.699 24.5627 GPRESSURE: 3482000 79.212 51.4571 28.9449 31.4421 -165.412 -133.294 -41.5891 -206.532 3.36436 PRESSAVG: 3482000 -59.3874 -26.6822 -4.647 -26.6822 47.0432 9.5536 -4.64702 9.55369 -25.348 GPRESSAVG: 3482000 -59.9951 -27.5134 -6.58704 -26.3495 45.6556 8.13749 -5.91885 10.4654 -23.3224 TIMING: 3482000 CPU: 11004.1, 0.00314655/step Wall: 11004.1, 0.00314655/step, 1.3268 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3482000 3972.4701 20474.3062 14407.6815 251.2661 -203506.0422 2608.7633 0.0000 0.0000 51856.7148 -109934.8402 298.0213 -161791.5550 -109575.9058 298.3551 -58.2900 -27.6118 762128.2338 -12.5641 -12.5540 PRESSURE: 3482200 10.6746 -105.603 33.132 -105.603 -110.187 -228.49 33.1315 -228.49 26.4686 GPRESSURE: 3482200 -60.2862 -71.754 48.4928 -190.494 -13.3044 -178.328 24.0972 -250.198 58.7218 PRESSAVG: 3482200 11.5422 -39.0285 -13.4574 -39.0284 32.4916 -0.119124 -13.4575 -0.119163 0.197546 GPRESSAVG: 3482200 10.5733 -38.8638 -11.7682 -41.2394 33.9049 -0.269023 -11.8498 -1.1095 -0.697093 TIMING: 3482200 CPU: 11004.7, 0.00315191/step Wall: 11004.7, 0.00315191/step, 1.32888 hours remaining, 239.382812 MB of memory in use. ENERGY: 3482200 3848.2202 20393.9848 14400.8084 240.8949 -203272.4224 2593.7300 0.0000 0.0000 51865.5410 -109929.2431 298.0720 -161794.7841 -109561.9600 298.1508 -24.3479 -4.9563 760797.2796 14.7438 14.5937 PRESSURE: 3482400 -112.221 -74.4302 -186.826 -74.4304 174.627 -117.535 -186.826 -117.536 -18.1685 GPRESSURE: 3482400 -62.3248 -80.6758 -233.287 -57.4789 146.679 -187.308 -265.104 -8.64527 50.0814 PRESSAVG: 3482400 22.8434 -65.6049 7.30622 -65.6048 -14.4491 16.9325 7.30615 16.9325 -6.66996 GPRESSAVG: 3482400 23.9912 -67.4513 8.62328 -61.7552 -15.7502 17.5135 6.11934 16.4998 -6.70256 TIMING: 3482400 CPU: 11005.4, 0.00314539/step Wall: 11005.4, 0.00314539/step, 1.32596 hours remaining, 239.382812 MB of memory in use. ENERGY: 3482400 3964.0409 20373.9201 14374.4751 250.1410 -203424.1182 2593.0168 0.0000 0.0000 52243.1128 -109625.4115 300.2419 -161868.5243 -109254.3039 298.7749 14.7461 44.8119 760266.9115 0.5748 0.5128 PRESSURE: 3482600 -404.001 168.166 220.292 168.166 -54.7868 -143.917 220.293 -143.916 83.9184 GPRESSURE: 3482600 -390.038 176.535 221.703 116.462 32.1555 -89.1338 93.6651 -139.61 66.221 PRESSAVG: 3482600 -36.3102 -19.1295 -21.9394 -19.1295 23.978 35.3377 -21.9394 35.3378 19.1019 GPRESSAVG: 3482600 -37.4265 -17.6633 -22.6189 -21.2996 25.3385 36.2697 -22.3391 35.2703 19.0006 TIMING: 3482600 CPU: 11006, 0.00314609/step Wall: 11006, 0.00314609/step, 1.32608 hours remaining, 239.382812 MB of memory in use. ENERGY: 3482600 4069.6652 20557.0495 14403.0564 241.8947 -203334.9895 2569.8528 0.0000 0.0000 51990.2963 -109503.1745 298.7889 -161493.4708 -109137.7370 299.3083 -124.9564 -97.2204 761803.1211 2.2566 2.3042 PRESSURE: 3482800 61.6985 -185.273 -184.045 -185.273 400.557 6.29539 -184.045 6.29476 -197.98 GPRESSURE: 3482800 41.0735 -224.158 -148.993 -204.257 424.51 56.0913 -203.4 -109.76 -125.474 PRESSAVG: 3482800 3.92342 -63.6116 20.8071 -63.6117 3.49494 -33.1657 20.8071 -33.1657 31.2865 GPRESSAVG: 3482800 3.32916 -63.6338 21.276 -62.8687 3.81973 -35.3182 22.523 -34.4106 31.0062 TIMING: 3482800 CPU: 11006.6, 0.0031583/step Wall: 11006.6, 0.0031583/step, 1.33105 hours remaining, 239.382812 MB of memory in use. ENERGY: 3482800 3955.1733 20470.0569 14450.6157 242.0364 -203091.1946 2556.6452 0.0000 0.0000 51871.4725 -109545.1946 298.1061 -161416.6671 -109181.3022 299.5762 88.0918 113.3699 761862.3482 12.9016 12.7184 PRESSURE: 3483000 221.161 171.03 31.8068 171.03 -0.158449 -10.1972 31.8063 -10.1973 139.651 GPRESSURE: 3483000 190.575 76.0962 -10.8566 160.34 99.2171 -9.84215 57.0402 82.0114 137.732 PRESSAVG: 3483000 -24.113 5.5389 -4.46307 5.53899 -6.2179 19.5812 -4.46305 19.5812 27.6909 GPRESSAVG: 3483000 -23.9082 5.52915 -7.42592 5.4827 -6.11981 20.6764 -3.71875 21.4742 27.8398 TIMING: 3483000 CPU: 11007.3, 0.00314197/step Wall: 11007.3, 0.00314196/step, 1.32399 hours remaining, 239.382812 MB of memory in use. ENERGY: 3483000 3989.0065 20453.1105 14394.2573 243.7276 -203280.8411 2782.3630 0.0000 0.0000 51947.5081 -109470.8681 298.5430 -161418.3762 -109097.6786 299.0398 120.2178 142.5081 763021.3219 -0.8800 -0.7294 PRESSURE: 3483200 -94.0385 -116.287 -65.6532 -116.288 199.987 -361.455 -65.6528 -361.454 -96.3199 GPRESSURE: 3483200 49.7621 -115.052 -66.7146 -68.8949 168.814 -418.953 29.5552 -343.03 -123.114 PRESSAVG: 3483200 -46.5038 -15.3189 10.7758 -15.3189 44.3853 13.2484 10.7757 13.2484 -15.8073 GPRESSAVG: 3483200 -45.6008 -16.159 12.5941 -15.9774 43.658 13.6454 12.0977 13.8891 -16.0122 TIMING: 3483200 CPU: 11007.9, 0.00315554/step Wall: 11007.9, 0.00315554/step, 1.32954 hours remaining, 239.382812 MB of memory in use. ENERGY: 3483200 3975.2278 20559.3916 14390.4640 247.2062 -203136.8945 2473.4924 0.0000 0.0000 52040.3553 -109450.7572 299.0766 -161491.1125 -109097.4291 299.4890 3.2097 31.8208 762498.1765 -5.9753 -5.9850 PRESSURE: 3483400 -37.6734 -87.5477 108.207 -87.5477 15.1763 -44.987 108.207 -44.9861 -68.287 GPRESSURE: 3483400 -3.04573 57.6632 213.947 -140.869 3.18256 -68.9413 139.104 -179.316 -14.4451 PRESSAVG: 3483400 14.7985 -38.3354 11.0541 -38.3353 4.75828 -66.2534 11.0541 -66.2534 17.3899 GPRESSAVG: 3483400 14.3682 -37.6515 10.7255 -36.815 4.20444 -67.5173 9.50215 -66.6022 18.421 TIMING: 3483400 CPU: 11008.5, 0.0031855/step Wall: 11008.5, 0.0031855/step, 1.34198 hours remaining, 239.382812 MB of memory in use. ENERGY: 3483400 3977.1294 20692.6730 14427.0861 237.3411 -203666.1100 2702.9488 0.0000 0.0000 52161.2384 -109467.6933 299.7714 -161628.9317 -109106.9293 299.6022 -30.2614 -4.7694 762579.6752 12.3156 12.3312 PRESSURE: 3483600 78.3972 24.0902 23.7358 24.0904 -27.4658 64.9089 23.7345 64.9094 -315.987 GPRESSURE: 3483600 154.567 71.2524 73.0478 18.6113 -3.13774 154.988 7.93528 6.93606 -323.563 PRESSAVG: 3483600 49.8181 -39.6099 11.6978 -39.6099 -29.5322 7.51435 11.6978 7.5143 11.78 GPRESSAVG: 3483600 50.1734 -40.422 12.3083 -39.7756 -28.7848 7.70534 11.9137 6.99708 11.1663 TIMING: 3483600 CPU: 11009.2, 0.00314492/step Wall: 11009.2, 0.00314492/step, 1.32471 hours remaining, 239.382812 MB of memory in use. ENERGY: 3483600 4071.6585 20440.6833 14405.9805 233.6859 -203206.6034 2485.5760 0.0000 0.0000 52111.8706 -109457.1486 299.4876 -161569.0191 -109089.6487 299.3530 -88.3520 -57.3778 762085.6289 10.6886 10.8516 PRESSURE: 3483800 417.41 57.8335 -65.7295 57.8331 115.904 90.4121 -65.7289 90.4122 -249.019 GPRESSURE: 3483800 409.525 11.0434 -171.339 -16.36 79.8755 141.37 -86.2768 107.461 -122.207 PRESSAVG: 3483800 54.7706 -15.1201 -12.7717 -15.1201 -60.0918 59.8588 -12.7717 59.8587 26.2847 GPRESSAVG: 3483800 54.9107 -14.762 -12.9721 -15.2383 -59.1405 61.9001 -13.6224 59.9444 25.1138 TIMING: 3483800 CPU: 11009.8, 0.00314644/step Wall: 11009.8, 0.00314644/step, 1.32517 hours remaining, 239.382812 MB of memory in use. ENERGY: 3483800 3989.8630 20498.6102 14372.9509 244.3366 -203413.4650 2697.8235 0.0000 0.0000 52094.6278 -109515.2530 299.3885 -161609.8807 -109156.7480 299.0406 94.7652 122.3978 761935.5102 6.9878 6.9613 PRESSURE: 3484000 -53.9001 87.7901 65.5325 87.7902 -48.5908 -85.3042 65.532 -85.3043 -152.337 GPRESSURE: 3484000 -31.6283 32.5208 40.6789 -37.5885 22.6875 -71.8763 157.899 -76.9786 -164.059 PRESSAVG: 3484000 55.8801 -26.114 1.60288 -26.114 0.274272 16.5255 1.60285 16.5254 11.5388 GPRESSAVG: 3484000 56.7431 -25.2223 0.639256 -26.2585 -0.611845 14.7845 2.67181 18.0676 11.6423 TIMING: 3484000 CPU: 11010.4, 0.00314542/step Wall: 11010.4, 0.00314542/step, 1.32457 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3484000 4023.6895 20308.3399 14380.6474 262.8500 -203858.4724 2897.7503 0.0000 0.0000 52226.8291 -109758.3662 300.1483 -161985.1954 -109398.3501 298.7618 -84.9428 -57.6666 761092.4292 22.5644 22.5912 PRESSURE: 3484200 95.7456 83.197 102.113 83.1967 22.8464 64.7565 102.113 64.7562 233.654 GPRESSURE: 3484200 130.866 47.3986 44.2889 137.471 125.312 142.159 159.811 -30.1683 184.262 PRESSAVG: 3484200 -10.8513 -3.16627 -3.97134 -3.16628 8.05472 -40.9388 -3.97129 -40.9389 17.1711 GPRESSAVG: 3484200 -10.7817 -5.33247 -1.98339 -4.35622 6.91634 -39.9606 -4.16795 -41.4532 17.8114 TIMING: 3484200 CPU: 11011, 0.00316045/step Wall: 11011, 0.00316045/step, 1.33073 hours remaining, 239.382812 MB of memory in use. ENERGY: 3484200 3946.3297 20384.9409 14401.1857 244.3091 -203970.7464 2992.4609 0.0000 0.0000 51887.1744 -110114.3457 298.1963 -162001.5201 -109757.6920 298.2904 117.4153 146.8134 762544.4168 4.7915 4.6487 LDB: ============= START OF LOAD BALANCING ============== 11023.4 LDB: ============== END OF LOAD BALANCING =============== 11023.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11023.4 LDB: ============= START OF LOAD BALANCING ============== 11023.8 LDB: Largest compute 7064 load 0.030708 is 15.7% of average load 0.196121 LDB: Average compute 0.004358 is 2.2% of average load 0.196121 LDB: TIME 11023.8 LOAD: AVG 0.196121 MAX 0.217872 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 11023.8 LOAD: AVG 0.196121 MAX 0.217872 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 11023.8 LOAD: AVG 0.196121 MAX 0.217872 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 11023.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11023.8 PRESSURE: 3484400 371.358 55.6923 -179.509 55.693 197.714 -69.3963 -179.508 -69.3957 -382.066 GPRESSURE: 3484400 389.356 13.1366 -124.094 79.5505 200.177 -61.842 -111.487 -154.596 -295.433 PRESSAVG: 3484400 24.8809 -46.0846 -25.0716 -46.0846 -10.3317 -8.93 -25.0716 -8.92999 -3.2825 GPRESSAVG: 3484400 23.7933 -45.9804 -26.6016 -44.117 -9.48902 -8.83146 -24.8944 -7.99144 -3.64012 TIMING: 3484400 CPU: 11011.7, 0.00321735/step Wall: 11011.7, 0.00321735/step, 1.3545 hours remaining, 237.128906 MB of memory in use. ENERGY: 3484400 3969.2625 20640.5067 14337.6300 251.3021 -203694.0294 2871.2548 0.0000 0.0000 51535.1866 -110088.8867 296.1734 -161624.0733 -109742.5669 298.3040 62.3354 98.0332 760325.5786 3.7556 3.5547 PRESSURE: 3484600 39.2928 264.723 176.039 264.724 -150.547 -41.7096 176.039 -41.7101 -508.55 GPRESSURE: 3484600 113.037 277.17 227.702 237.694 -158.412 -113.868 166.819 -11.1415 -499.415 PRESSAVG: 3484600 21.7982 -24.2192 -47.7893 -24.2192 10.4269 -7.68186 -47.7892 -7.68181 -12.2126 GPRESSAVG: 3484600 23.2767 -23.4973 -47.6654 -25.9583 9.59841 -8.01592 -46.6602 -9.35874 -12.8674 TIMING: 3484600 CPU: 11012.3, 0.00313788/step Wall: 11012.3, 0.00313788/step, 1.32087 hours remaining, 237.128906 MB of memory in use. ENERGY: 3484600 4002.7766 20531.3368 14430.6187 255.5719 -203601.5514 2547.7882 0.0000 0.0000 51877.4330 -109956.0261 298.1403 -161833.4591 -109591.9286 298.6173 -206.6013 -181.5967 759171.6085 6.6708 6.6692 PRESSURE: 3484800 210.063 -95.1405 -193.137 -95.1397 126.846 94.4171 -193.137 94.4169 -377.239 GPRESSURE: 3484800 157.417 -61.5454 -163.13 -115.573 247.053 31.7864 -170.109 99.1184 -360.842 PRESSAVG: 3484800 -5.76547 -47.5028 -0.307529 -47.5028 20.5005 21.698 -0.307559 21.698 -12.5248 GPRESSAVG: 3484800 -6.19235 -48.1514 -0.388799 -46.1365 19.9148 21.5381 -2.85397 22.6702 -12.5362 TIMING: 3484800 CPU: 11012.9, 0.00314257/step Wall: 11012.9, 0.00314257/step, 1.32267 hours remaining, 237.128906 MB of memory in use. ENERGY: 3484800 4037.7394 20515.8483 14401.4325 242.5268 -203615.5843 2601.6822 0.0000 0.0000 51979.0702 -109837.2849 298.7244 -161816.3551 -109472.2096 298.7549 -13.4431 14.5426 759951.2230 0.7367 0.3954 PRESSURE: 3485000 32.3593 -66.1696 -31.0068 -66.1695 -537.552 -182.661 -31.0069 -182.66 -375.362 GPRESSURE: 3485000 19.9459 -54.2311 5.4376 -82.8989 -478.351 -166.165 96.3115 -107.996 -342.301 PRESSAVG: 3485000 -15.0792 -9.73148 -18.9157 -9.73146 8.2958 10.8118 -18.9157 10.8118 -11.543 GPRESSAVG: 3485000 -17.1634 -9.61171 -19.1821 -10.6887 9.95075 10.7963 -17.8664 11.9149 -11.3305 TIMING: 3485000 CPU: 11013.6, 0.0031485/step Wall: 11013.6, 0.0031485/step, 1.32499 hours remaining, 237.128906 MB of memory in use. ENERGY: 3485000 4029.4439 20389.2583 14458.1727 231.9666 -203194.2550 2234.5270 0.0000 0.0000 51958.5648 -109892.3217 298.6066 -161850.8865 -109520.4626 298.4948 -293.5181 -266.9020 761723.5873 -6.1088 -6.1810 PRESSURE: 3485200 170.061 -129.306 -299.207 -129.306 114.67 80.762 -299.207 80.7626 274.199 GPRESSURE: 3485200 230.277 -18.7834 -307.842 -144.82 138.22 136.495 -306.152 65.1303 267.571 PRESSAVG: 3485200 -0.62132 -0.381392 17.1741 -0.381349 -4.24727 -35.8767 17.1741 -35.8766 -2.50726 GPRESSAVG: 3485200 1.86544 -0.606908 16.5907 0.631784 -6.01005 -36.5886 17.7367 -38.6226 -3.30613 TIMING: 3485200 CPU: 11014.2, 0.00314153/step Wall: 11014.2, 0.00314153/step, 1.32189 hours remaining, 237.128906 MB of memory in use. ENERGY: 3485200 4000.6015 20502.6195 14412.7953 249.0951 -203718.5948 2633.7091 0.0000 0.0000 52007.2723 -109912.5021 298.8865 -161919.7744 -109547.0338 298.5191 186.3100 212.0227 760625.1699 -2.4586 -2.4836 PRESSURE: 3485400 -135.746 89.4163 105.586 89.4171 -115.082 12.795 105.586 12.7949 26.432 GPRESSURE: 3485400 -89.7938 85.7682 27.751 71.2075 -116.326 108.513 32.9748 66.8441 69.8635 PRESSAVG: 3485400 -17.2794 -1.06426 -25.7032 -1.0643 39.0956 -7.75673 -25.7032 -7.75676 -23.1467 GPRESSAVG: 3485400 -18.1581 -2.06707 -25.1829 -0.872523 39.9785 -6.78309 -25.9065 -5.81153 -23.0206 TIMING: 3485400 CPU: 11014.8, 0.00313859/step Wall: 11014.8, 0.00313859/step, 1.32048 hours remaining, 237.128906 MB of memory in use. ENERGY: 3485400 4020.3332 20426.1401 14424.2184 245.3685 -203788.0944 2914.0988 0.0000 0.0000 51844.8443 -109913.0910 297.9530 -161757.9353 -109549.7779 298.3173 -74.7987 -45.4188 761333.2293 -0.4435 -0.4001 PRESSURE: 3485600 155.38 -118.122 -46.6904 -118.122 -125.521 -46.3098 -46.6907 -46.31 -40.9319 GPRESSURE: 3485600 195.562 -102.848 -70.46 71.4142 -38.3674 -63.4388 -97.0999 -74.7074 -69.3406 PRESSAVG: 3485600 32.7525 -4.43714 -17.0533 -4.43715 11.942 -17.4054 -17.0533 -17.4055 -6.12152 GPRESSAVG: 3485600 32.6203 -1.76773 -15.0288 -3.74573 11.2084 -17.8866 -18.0235 -16.2547 -5.85302 TIMING: 3485600 CPU: 11015.5, 0.00316578/step Wall: 11015.5, 0.00316578/step, 1.33174 hours remaining, 237.128906 MB of memory in use. ENERGY: 3485600 4002.1672 20473.1498 14358.9039 253.0755 -203558.9819 2586.8442 0.0000 0.0000 51965.5566 -109919.2847 298.6468 -161884.8413 -109567.1416 298.5796 -3.6911 29.2848 761242.7943 12.8577 12.6586 PRESSURE: 3485800 42.3743 -73.6521 1.85649 -73.6516 -69.2992 206.689 1.85635 206.688 198.597 GPRESSURE: 3485800 87.9639 -80.6451 51.8917 -80.0895 -37.2901 218.707 12.4827 263.989 202.713 PRESSAVG: 3485800 -40.1238 19.2642 -1.58153 19.2642 16.1379 -14.1179 -1.58156 -14.1179 -7.94982 GPRESSAVG: 3485800 -40.0034 17.7308 -1.64003 18.6539 16.7251 -14.6311 -0.443269 -14.243 -8.31655 TIMING: 3485800 CPU: 11016.1, 0.0031568/step Wall: 11016.1, 0.0031568/step, 1.32779 hours remaining, 237.128906 MB of memory in use. ENERGY: 3485800 4050.3479 20337.6255 14392.7067 246.5943 -203699.8596 2801.6900 0.0000 0.0000 51767.8397 -110103.0555 297.5105 -161870.8951 -109746.6724 298.5541 57.2240 84.4623 761090.7107 -10.6452 -10.5316 PRESSURE: 3486000 10.0378 -310.061 208.934 -310.063 -41.3224 -37.6461 208.934 -37.6459 -24.5182 GPRESSURE: 3486000 34.1754 -311.108 122.357 -322.45 21.904 6.46511 105.147 -31.9723 -48.0981 PRESSAVG: 3486000 -0.258818 -55.8219 -6.94498 -55.8218 -3.59537 10.0871 -6.94497 10.087 -9.46436 GPRESSAVG: 3486000 -0.613307 -54.4801 -7.99574 -56.1221 -3.48615 11.8407 -8.61025 9.77499 -9.13584 TIMING: 3486000 CPU: 11016.7, 0.00315459/step Wall: 11016.7, 0.00315459/step, 1.32668 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3486000 3970.0338 20593.5860 14427.1955 231.2207 -203487.2324 2654.8957 0.0000 0.0000 51926.3455 -109683.9553 298.4214 -161610.3008 -109327.5947 298.2287 -18.6009 2.6604 762439.5113 -4.4395 -4.4118 PRESSURE: 3486200 115.125 -41.4893 -210.75 -41.4892 149.072 -12.0087 -210.75 -12.0089 -127.302 GPRESSURE: 3486200 177.695 -145.776 -204.407 -70.4784 173.056 -48.4038 -252.947 -66.8395 -96.2874 PRESSAVG: 3486200 12.3638 -20.2528 -15.2558 -20.2528 12.5219 18.2279 -15.2558 18.2278 36.0561 GPRESSAVG: 3486200 12.1204 -22.3868 -15.2933 -19.2589 12.3039 16.25 -15.4297 18.7161 36.316 TIMING: 3486200 CPU: 11017.4, 0.00313124/step Wall: 11017.4, 0.00313124/step, 1.31668 hours remaining, 237.128906 MB of memory in use. ENERGY: 3486200 4009.4088 20468.0822 14400.0337 262.4110 -203286.9073 2643.6506 0.0000 0.0000 51807.5546 -109695.7664 297.7387 -161503.3210 -109343.3489 298.7549 45.6315 84.8211 760765.7301 20.3139 20.2468 PRESSURE: 3486400 -428.11 -97.9395 -127.769 -97.9394 -78.6157 -91.5178 -127.77 -91.518 -107.565 GPRESSURE: 3486400 -343.609 -43.9676 -115.539 -95.926 -107.843 -43.5984 -166.615 -52.6705 -93.9309 PRESSAVG: 3486400 -12.0378 32.3666 32.1207 32.3667 35.4601 33.0686 32.1207 33.0686 -20.1476 GPRESSAVG: 3486400 -12.1164 32.2405 32.6079 32.5458 35.2096 33.2457 32.5282 32.6839 -20.6375 TIMING: 3486400 CPU: 11018, 0.00316488/step Wall: 11018, 0.00316488/step, 1.33066 hours remaining, 237.128906 MB of memory in use. ENERGY: 3486400 4002.0904 20406.5328 14375.8885 256.8997 -203366.6196 2563.7292 0.0000 0.0000 51887.4081 -109874.0709 298.1976 -161761.4791 -109505.2911 298.6233 -204.7638 -181.7943 762430.5708 1.0916 0.8186 PRESSURE: 3486600 87.3047 155.045 164.859 155.045 -200.364 251.916 164.86 251.917 55.377 GPRESSURE: 3486600 153.171 157.704 85.7653 298.528 -130.876 230.925 223.453 142.201 23.5604 PRESSAVG: 3486600 32.1116 -29.5389 -4.24769 -29.5389 1.17887 -19.7635 -4.24769 -19.7635 4.70141 GPRESSAVG: 3486600 31.7219 -26.5757 -6.22463 -30.2127 0.672987 -18.0309 -3.09386 -21.9192 5.87203 TIMING: 3486600 CPU: 11018.6, 0.00314089/step Wall: 11018.6, 0.00314088/step, 1.32039 hours remaining, 237.128906 MB of memory in use. ENERGY: 3486600 3975.4390 20427.2121 14419.3023 263.5207 -203536.5556 2723.3873 0.0000 0.0000 51867.8545 -109859.8396 298.0853 -161727.6941 -109496.7773 298.4666 -19.2274 15.2849 761821.5904 12.6640 12.7556 PRESSURE: 3486800 -233.575 -2.35807 -26.953 -2.35795 -174.561 70.4091 -26.953 70.41 -309.918 GPRESSURE: 3486800 -246.733 -2.68107 36.6061 103.551 -89.778 78.9973 33.5629 143.576 -307.31 PRESSAVG: 3486800 -8.76681 -0.695046 30.4159 -0.695037 40.3482 9.87177 30.4159 9.87182 34.102 GPRESSAVG: 3486800 -7.72782 -4.3619 30.6125 0.557072 40.1667 9.4755 30.8919 11.647 33.3527 TIMING: 3486800 CPU: 11019.2, 0.00316011/step Wall: 11019.2, 0.00316011/step, 1.3283 hours remaining, 237.128906 MB of memory in use. ENERGY: 3486800 3995.3181 20471.0053 14313.4978 257.7964 -203113.5959 2399.6420 0.0000 0.0000 51758.1998 -109918.1365 297.4551 -161676.3364 -109557.5466 297.8315 -239.3515 -214.6067 761943.8492 21.8945 21.9305 PRESSURE: 3487000 -173.432 181.853 96.9086 181.853 -195.369 35.0466 96.909 35.0453 -268.15 GPRESSURE: 3487000 -168.827 125.956 91.1632 133.614 -204.606 94.8945 176.282 34.1703 -180.388 PRESSAVG: 3487000 14.9767 -7.55837 -22.5083 -7.55835 10.4337 19.0021 -22.5084 19.002 14.7943 GPRESSAVG: 3487000 12.9485 -6.94824 -21.9147 -7.69939 11.3909 19.021 -23.7315 19.8021 15.8511 TIMING: 3487000 CPU: 11019.9, 0.00315357/step Wall: 11019.9, 0.00315357/step, 1.32537 hours remaining, 237.128906 MB of memory in use. ENERGY: 3487000 3997.7266 20341.1595 14333.2671 266.1087 -203389.2447 2461.6834 0.0000 0.0000 52160.3503 -109828.9493 299.7662 -161989.2996 -109470.6730 298.5960 -212.3170 -184.6067 761884.8585 13.4016 13.3968 PRESSURE: 3487200 -252.861 -273.857 -190.056 -273.857 -142.352 -87.5837 -190.055 -87.584 -69.8645 GPRESSURE: 3487200 -178.898 -335.975 -132.71 -316.681 -152.15 -40.7897 -236.863 -209.634 -58.7494 PRESSAVG: 3487200 10.4293 -32.021 -8.80376 -32.021 37.8275 36.3052 -8.80372 36.3052 -12.8066 GPRESSAVG: 3487200 12.8136 -33.0384 -7.53728 -33.8878 36.6974 35.676 -6.1315 36.1325 -13.365 TIMING: 3487200 CPU: 11020.5, 0.00315703/step Wall: 11020.5, 0.00315703/step, 1.32665 hours remaining, 237.128906 MB of memory in use. ENERGY: 3487200 3963.7672 20485.6301 14346.6444 235.1137 -203326.6314 2483.8476 0.0000 0.0000 52128.4038 -109683.2247 299.5827 -161811.6284 -109327.0857 298.4768 -155.0258 -129.9322 763390.1340 11.8168 12.0486 PRESSURE: 3487400 -168.574 136.484 20.5607 136.485 298.495 -104.991 20.5606 -104.99 -262.871 GPRESSURE: 3487400 -206.9 155.701 19.2222 129.625 340.361 -80.3535 -67.8854 52.3711 -189.735 PRESSAVG: 3487400 -9.46027 13.9949 -46.4305 13.995 -22.8051 62.2721 -46.4305 62.2722 13.0308 GPRESSAVG: 3487400 -10.3298 16.3848 -48.1228 13.9602 -21.2274 61.6805 -48.5111 61.9633 12.5404 TIMING: 3487400 CPU: 11021.1, 0.003151/step Wall: 11021.1, 0.003151/step, 1.32395 hours remaining, 237.128906 MB of memory in use. ENERGY: 3487400 4010.7073 20568.7948 14402.0473 276.6209 -203237.2533 2447.9561 0.0000 0.0000 52049.7233 -109481.4036 299.1305 -161531.1268 -109120.3726 298.8882 -44.3167 -18.7579 761825.6309 -6.4115 -6.3389 PRESSURE: 3487600 136.582 -20.5631 -34.5729 -20.5637 162.153 -34.6329 -34.5729 -34.6322 -169.977 GPRESSURE: 3487600 191.859 67.6418 52.6238 175.205 150.969 6.04246 -43.6313 -32.9291 -142.131 PRESSAVG: 3487600 -30.7008 11.0357 32.1846 11.0357 15.2426 -8.19544 32.1845 -8.19545 -17.946 GPRESSAVG: 3487600 -30.9028 12.129 34.6511 13.0986 14.4156 -7.2309 30.2904 -7.78938 -17.19 TIMING: 3487600 CPU: 11021.8, 0.00315341/step Wall: 11021.8, 0.00315341/step, 1.32478 hours remaining, 237.128906 MB of memory in use. ENERGY: 3487600 3979.7766 20580.2046 14398.7326 239.6895 -203670.0688 3000.3288 0.0000 0.0000 52018.0617 -109453.2750 298.9485 -161471.3367 -109094.6501 299.2453 42.9197 66.8994 762118.2375 -11.1347 -11.2257 PRESSURE: 3487800 -41.3739 10.0777 -154.312 10.0773 -109.148 204.451 -154.311 204.451 210.111 GPRESSURE: 3487800 27.4899 42.9277 -152.07 47.6841 -45.7754 206.809 -116.453 82.2169 167.309 PRESSAVG: 3487800 -3.11744 0.591753 68.8845 0.591706 -19.8659 15.2368 68.8845 15.2368 24.572 GPRESSAVG: 3487800 -3.07328 -2.38488 68.111 -0.465584 -19.0122 13.1941 68.7889 13.982 23.4107 TIMING: 3487800 CPU: 11022.4, 0.0031663/step Wall: 11022.4, 0.0031663/step, 1.33002 hours remaining, 237.128906 MB of memory in use. ENERGY: 3487800 3899.7207 20351.3902 14459.9778 220.2741 -203033.5042 2488.9436 0.0000 0.0000 51990.5936 -109622.6042 298.7907 -161613.1977 -109254.8341 299.0507 19.8629 49.6745 762464.3560 0.5296 0.4417 PRESSURE: 3488000 201.833 -57.7574 235.105 -57.7577 -153.969 77.3294 235.105 77.3288 328.783 GPRESSURE: 3488000 263.085 -78.6895 212.651 17.461 -131.243 31.0359 247.17 113.965 324.11 PRESSAVG: 3488000 19.8974 -8.03675 43.7465 -8.03669 22.9047 43.8309 43.7465 43.8309 -3.63211 GPRESSAVG: 3488000 21.0569 -5.06955 42.7617 -8.80462 21.4516 46.243 44.0406 43.3951 -3.37311 TIMING: 3488000 CPU: 11023, 0.00314794/step Wall: 11023, 0.00314794/step, 1.32214 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3488000 3976.8796 20589.7589 14458.4586 242.6893 -203843.6636 2975.0834 0.0000 0.0000 52099.5080 -109501.2857 299.4166 -161600.7938 -109148.3858 298.9315 125.5492 151.9838 761409.3717 13.0567 13.0451 PRESSURE: 3488200 -291.634 108.797 20.1132 108.797 -139.526 -296.251 20.1132 -296.251 5.68373 GPRESSURE: 3488200 -251.06 100.564 -62.937 85.1812 -111.46 -290.788 6.22841 -350.704 17.8661 PRESSAVG: 3488200 -23.0145 -25.0094 50.1505 -25.0094 4.55781 16.6541 50.1506 16.6542 -13.1079 GPRESSAVG: 3488200 -22.3846 -24.8955 49.7202 -24.5801 4.68443 16.8007 51.3424 16.0775 -13.5903 TIMING: 3488200 CPU: 11023.7, 0.00314396/step Wall: 11023.7, 0.00314396/step, 1.32029 hours remaining, 237.128906 MB of memory in use. ENERGY: 3488200 3985.8774 20370.7951 14421.2338 269.1597 -203439.7393 2648.8045 0.0000 0.0000 52219.2727 -109524.5961 300.1049 -161743.8688 -109165.0507 299.5620 -141.8256 -114.8848 760090.8672 -10.5215 -10.4302 LDB: ============= START OF LOAD BALANCING ============== 11036.1 LDB: ============== END OF LOAD BALANCING =============== 11036.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11036.1 LDB: ============= START OF LOAD BALANCING ============== 11036.4 LDB: Largest compute 7068 load 0.032608 is 16.6% of average load 0.196136 LDB: Average compute 0.004361 is 2.2% of average load 0.196136 LDB: TIME 11036.4 LOAD: AVG 0.196136 MAX 0.215768 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.371 MB LDB: TIME 11036.4 LOAD: AVG 0.196136 MAX 0.215768 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.371 MB LDB: TIME 11036.4 LOAD: AVG 0.196136 MAX 0.215768 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.371 MB LDB: ============== END OF LOAD BALANCING =============== 11036.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11036.4 PRESSURE: 3488400 11.8729 -27.8503 -97.6133 -27.8506 -136.556 -92.4961 -97.6139 -92.4957 -94.7949 GPRESSURE: 3488400 -98.032 21.3736 -80.9706 -3.81583 -6.06734 -117.357 -31.1421 -67.2107 -26.1467 PRESSAVG: 3488400 24.533 -34.7977 8.64017 -34.7977 -27.2448 -30.1017 8.64012 -30.1016 15.8169 GPRESSAVG: 3488400 23.3245 -35.1292 10.7855 -33.7397 -26.9731 -30.8699 8.69421 -28.3369 16.2291 TIMING: 3488400 CPU: 11024.3, 0.00320585/step Wall: 11024.3, 0.00320585/step, 1.3461 hours remaining, 238.468750 MB of memory in use. ENERGY: 3488400 3896.1715 20468.6547 14393.8791 246.2075 -203063.2727 2542.0375 0.0000 0.0000 52294.3117 -109222.0107 300.5361 -161516.3224 -108851.0669 299.3951 -73.1594 -43.4154 761035.3618 4.3684 4.1935 PRESSURE: 3488600 -46.0869 11.6805 -42.4073 11.6812 -91.6675 86.2681 -42.4067 86.2673 145.852 GPRESSURE: 3488600 78.4172 101.17 -38.7404 -16.8507 -137.821 160.363 20.2862 72.6201 159.565 PRESSAVG: 3488600 -21.5337 -10.0667 20.0418 -10.0667 9.17141 38.7446 20.0417 38.7445 13.4295 GPRESSAVG: 3488600 -23.3583 -10.343 17.0521 -12.9822 10.5515 39.8868 21.18 38.7062 14.0591 TIMING: 3488600 CPU: 11024.9, 0.0031307/step Wall: 11024.9, 0.0031307/step, 1.31437 hours remaining, 238.671875 MB of memory in use. ENERGY: 3488600 3948.5982 20478.0741 14386.8268 252.0622 -203133.4067 2640.1434 0.0000 0.0000 52141.8862 -109285.8159 299.6601 -161427.7021 -108913.0005 300.1639 2.6993 33.3872 760610.6702 0.3557 0.4175 PRESSURE: 3488800 290.123 -31.0108 354.256 -31.0108 282.854 -0.282803 354.257 -0.281637 142.991 GPRESSURE: 3488800 222.877 11.7281 430.278 106.805 322.616 129.525 216.906 27.8158 266.65 PRESSAVG: 3488800 -54.4199 -29.4079 -45.1409 -29.4078 23.9382 25.0445 -45.141 25.0446 13.5012 GPRESSAVG: 3488800 -52.755 -28.2762 -42.9254 -27.6951 22.4559 24.8024 -47.9734 24.7258 13.676 TIMING: 3488800 CPU: 11025.6, 0.00313761/step Wall: 11025.6, 0.00313761/step, 1.3171 hours remaining, 238.671875 MB of memory in use. ENERGY: 3488800 3891.1537 20539.4999 14430.5866 268.8301 -203522.2031 2715.8933 0.0000 0.0000 52273.6296 -109402.6098 300.4173 -161676.2394 -109045.7016 299.5336 238.6558 270.7144 758616.6737 -5.6602 -5.5410 PRESSURE: 3489000 -156.968 95.8386 158.253 95.8387 -152.058 183.547 158.252 183.547 331.239 GPRESSURE: 3489000 -66.1808 53.7689 177.673 147.669 -84.2943 159.394 160.13 128 247.04 PRESSAVG: 3489000 -36.2508 -18.4522 38.116 -18.4522 98.0943 28.7579 38.116 28.758 5.30676 GPRESSAVG: 3489000 -36.7201 -21.6994 37.2614 -17.7192 99.9371 28.5954 39.4074 29.2421 4.10512 TIMING: 3489000 CPU: 11026.2, 0.00315364/step Wall: 11026.2, 0.00315364/step, 1.32365 hours remaining, 238.671875 MB of memory in use. ENERGY: 3489000 4008.5783 20627.6930 14460.8046 252.2604 -203290.0818 2496.7685 0.0000 0.0000 52044.9012 -109399.0759 299.1028 -161443.9771 -109041.6295 299.4717 7.4043 32.1882 760717.9358 22.3834 22.4407 PRESSURE: 3489200 205.812 92.9226 -12.1732 92.9226 -128.717 -201.044 -12.1737 -201.045 22.6228 GPRESSURE: 3489200 262.795 127.956 32.2083 83.5344 -124.973 -197.408 -32.2882 -53.7787 33.0757 PRESSAVG: 3489200 13.4035 48.8664 -5.83738 48.8664 17.6639 35.8405 -5.8374 35.8406 -1.5153 GPRESSAVG: 3489200 14.5126 49.7383 -5.16559 48.7871 15.0814 35.959 -4.54804 35.4286 0.0451509 TIMING: 3489200 CPU: 11026.8, 0.0031639/step Wall: 11026.8, 0.0031639/step, 1.32779 hours remaining, 238.671875 MB of memory in use. ENERGY: 3489200 3877.6597 20553.8964 14361.5400 243.9331 -203196.5439 2287.5429 0.0000 0.0000 52358.7827 -109513.1891 300.9066 -161871.9717 -109147.9823 300.0836 33.2393 56.9660 759761.5835 9.8507 9.8797 PRESSURE: 3489400 -68.2311 89.5995 174.29 89.6 39.8241 -111.592 174.29 -111.592 16.7422 GPRESSURE: 3489400 -94.99 11.6975 279.085 66.5991 116.067 -107.421 151.46 -143.566 64.2509 PRESSAVG: 3489400 2.35247 4.01815 17.7959 4.01817 -2.71653 -15.0508 17.7958 -15.0508 21.7758 GPRESSAVG: 3489400 2.65695 6.62067 15.6281 4.4831 -1.7529 -16.2371 19.4456 -14.3816 20.3271 TIMING: 3489400 CPU: 11027.5, 0.00316681/step Wall: 11027.5, 0.00316681/step, 1.32883 hours remaining, 238.671875 MB of memory in use. ENERGY: 3489400 3966.8089 20474.7209 14467.4517 214.3636 -202922.0968 2452.3724 0.0000 0.0000 51918.9941 -109427.3852 298.3792 -161346.3793 -109067.2577 299.3814 -3.8883 28.4428 760878.4525 7.1373 7.0770 PRESSURE: 3489600 295.307 7.58862 138.374 7.58888 1.75235 44.6463 138.373 44.6461 240.34 GPRESSURE: 3489600 243.152 -49.1199 143.824 -44.9111 117.849 34.6685 113.186 96.4087 277.693 PRESSAVG: 3489600 -28.9792 -8.0854 28.8917 -8.08536 38.8694 14.5797 28.8917 14.5797 11.9028 GPRESSAVG: 3489600 -30.6417 -10.6808 30.8982 -8.49055 39.575 15.1725 25.9011 13.3109 12.58 TIMING: 3489600 CPU: 11028.1, 0.00316927/step Wall: 11028.1, 0.00316927/step, 1.32968 hours remaining, 238.671875 MB of memory in use. ENERGY: 3489600 3981.9276 20379.0618 14339.2844 252.4480 -203242.5283 2586.5659 0.0000 0.0000 52198.8291 -109504.4117 299.9874 -161703.2407 -109149.6452 299.2132 179.1330 212.8980 760385.7667 7.2643 7.1711 PRESSURE: 3489800 547.216 12.02 16.9713 12.0197 406.527 68.4773 16.9709 68.4765 -235.978 GPRESSURE: 3489800 615.924 104.19 -36.2665 67.2151 329.16 56.3813 45.7533 54.9604 -148.489 PRESSAVG: 3489800 34.2742 -0.259234 3.19091 -0.259226 4.90219 -17.0835 3.19087 -17.0835 -22.9512 GPRESSAVG: 3489800 34.958 0.826398 3.8135 -0.451303 3.90593 -16.6864 2.27205 -16.5085 -22.8213 TIMING: 3489800 CPU: 11028.7, 0.0031481/step Wall: 11028.7, 0.0031481/step, 1.32063 hours remaining, 238.671875 MB of memory in use. ENERGY: 3489800 3975.3824 20454.1456 14400.6014 248.9844 -203665.0422 2995.7532 0.0000 0.0000 52117.3267 -109472.8485 299.5190 -161590.1752 -109105.0668 299.3574 239.2549 265.5317 759802.7368 5.4084 5.3475 PRESSURE: 3490000 -161.994 198.557 73.0511 198.557 -46.5962 -0.608059 73.051 -0.608364 41.7827 GPRESSURE: 3490000 -131.613 223 119.333 156.265 50.5066 -31.6527 27.965 21.9225 -6.62949 PRESSAVG: 3490000 -10.3046 -12.4201 17.7955 -12.4201 -49.4817 -16.3459 17.7955 -16.3458 14.5935 GPRESSAVG: 3490000 -10.0185 -13.9715 15.8765 -13.016 -50.0249 -16.1158 18.3187 -15.7802 14.3572 TIMING: 3490000 CPU: 11029.3, 0.00314429/step Wall: 11029.3, 0.00314429/step, 1.31886 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3490000 3942.7697 20586.1013 14457.2040 259.9321 -203151.3019 2767.1991 0.0000 0.0000 51743.2484 -109394.8472 297.3692 -161138.0956 -109028.0424 299.4552 -55.6026 -29.2451 761418.0371 -15.0643 -15.2288 PRESSURE: 3490200 -256.07 -68.4231 -24.5984 -68.4233 40.2763 -71.6585 -24.5987 -71.6588 -25.3975 GPRESSURE: 3490200 -216.348 -30.4411 43.4126 -74.565 14.1143 39.7221 -121.159 71.3951 43.8848 PRESSAVG: 3490200 -0.848132 -19.445 9.4506 -19.4449 54.3142 -10.6763 9.45059 -10.6764 16.8962 GPRESSAVG: 3490200 -0.38982 -17.921 11.6614 -19.3171 55.0555 -11.0184 9.60997 -11.0129 16.007 TIMING: 3490200 CPU: 11030, 0.00315305/step Wall: 11030, 0.00315305/step, 1.32235 hours remaining, 238.671875 MB of memory in use. ENERGY: 3490200 3888.4309 20415.8767 14398.7036 231.5080 -203195.0160 2492.0668 0.0000 0.0000 52130.6577 -109637.7724 299.5956 -161768.4301 -109272.4021 299.4158 -80.3971 -52.7831 761851.5426 23.4541 23.5575 PRESSURE: 3490400 366.371 -296.303 -1.01385 -296.302 40.1778 121.652 -1.01251 121.652 221.176 GPRESSURE: 3490400 390.365 -172.321 0.425601 -218.193 68.356 51.992 -11.4315 147.637 241.119 PRESSAVG: 3490400 -23.0587 -7.35019 -20.14 -7.3502 2.90029 5.14718 -20.14 5.14718 -20.033 GPRESSAVG: 3490400 -23.1139 -7.86286 -20.3372 -5.44935 1.93974 5.69046 -20.5728 4.84886 -19.1698 TIMING: 3490400 CPU: 11030.6, 0.00313511/step Wall: 11030.6, 0.00313511/step, 1.31466 hours remaining, 238.671875 MB of memory in use. ENERGY: 3490400 3984.5482 20495.4250 14362.6888 224.9485 -203632.3455 2758.5344 0.0000 0.0000 52197.0734 -109609.1273 299.9773 -161806.2007 -109244.7158 298.9773 209.2416 233.2801 760932.8603 -13.3971 -13.4480 PRESSURE: 3490600 -116.889 158.528 218.072 158.528 -113.109 21.7062 218.073 21.7063 -373.291 GPRESSURE: 3490600 -185.054 112.179 242.477 115.667 -29.3553 12.9785 230.089 -50.3288 -309.618 PRESSAVG: 3490600 36.0057 58.3691 -6.28128 58.3691 -34.1212 54.9492 -6.28122 54.9492 29.7862 GPRESSAVG: 3490600 35.5526 57.6234 -6.76571 57.2319 -33.9536 55.3713 -5.79527 54.7828 29.6133 TIMING: 3490600 CPU: 11031.2, 0.00313684/step Wall: 11031.2, 0.00313684/step, 1.31521 hours remaining, 238.671875 MB of memory in use. ENERGY: 3490600 4004.7883 20596.2698 14335.3870 260.9087 -203238.4276 2384.1804 0.0000 0.0000 51980.0421 -109676.8513 298.7300 -161656.8934 -109319.8664 299.3367 -201.0966 -174.6761 761209.9308 10.5569 10.4041 PRESSURE: 3490800 -34.3533 86.7792 155.451 86.7787 78.919 -251.446 155.451 -251.446 -60.0362 GPRESSURE: 3490800 52.3974 47.0372 169.672 20.5916 87.6158 -183.768 159.224 -221.508 -74.3835 PRESSAVG: 3490800 29.7954 6.61644 15.3942 6.61638 -58.3309 -29.0613 15.3942 -29.0613 1.03925 GPRESSAVG: 3490800 29.2272 7.06439 12.976 7.47786 -57.8786 -29.7148 16.3184 -28.8362 1.16847 TIMING: 3490800 CPU: 11031.9, 0.00313529/step Wall: 11031.9, 0.00313529/step, 1.31438 hours remaining, 238.671875 MB of memory in use. ENERGY: 3490800 3936.6651 20670.8301 14351.7067 262.8225 -203713.4561 2598.7313 0.0000 0.0000 52197.1237 -109695.5768 299.9776 -161892.7004 -109339.4473 299.2519 -5.1569 21.8766 759041.4260 -9.1654 -9.1610 PRESSURE: 3491000 -405.099 -47.8922 -69.5263 -47.8922 -264.153 200.202 -69.5255 200.202 -115.891 GPRESSURE: 3491000 -339.349 6.8122 -60.0562 -73.0571 -192.978 75.1298 -62.0725 247.663 -177.787 PRESSAVG: 3491000 -19.5252 -11.8599 5.17186 -11.8599 -27.3221 11.1501 5.17186 11.1502 -1.62539 GPRESSAVG: 3491000 -20.2301 -10.7073 7.95355 -12.1513 -26.3857 12.4577 5.73223 10.8357 -2.20349 TIMING: 3491000 CPU: 11032.5, 0.00313904/step Wall: 11032.5, 0.00313904/step, 1.31578 hours remaining, 238.671875 MB of memory in use. ENERGY: 3491000 4041.2310 20387.4398 14419.7238 252.6068 -203412.3892 2430.0615 0.0000 0.0000 52047.9465 -109833.3798 299.1203 -161881.3263 -109457.9796 298.4262 -261.7140 -236.7045 760599.6179 -16.1576 -16.2731 PRESSURE: 3491200 -38.7772 -68.6978 18.2211 -68.6979 -196.534 119.143 18.2207 119.142 22.2618 GPRESSURE: 3491200 14.9394 -136.415 64.1484 -55.567 -124.206 104.48 -31.4531 135.45 -19.9675 PRESSAVG: 3491200 22.7311 -45.6671 -50.6384 -45.6672 -5.58467 -21.5142 -50.6384 -21.5143 6.83587 GPRESSAVG: 3491200 22.092 -47.4799 -52.3625 -43.0271 -6.45181 -22.3021 -51.1088 -19.7279 8.05472 TIMING: 3491200 CPU: 11033.1, 0.00315445/step Wall: 11033.1, 0.00315445/step, 1.32206 hours remaining, 238.671875 MB of memory in use. ENERGY: 3491200 3916.9372 20450.4028 14422.4706 240.6371 -203271.6741 2555.4764 0.0000 0.0000 51838.9919 -109846.7580 297.9194 -161685.7499 -109488.3935 298.4988 -71.0164 -43.0779 760693.2575 7.9941 7.8983 PRESSURE: 3491400 167.736 -117.364 -182.915 -117.363 55.1637 -257.23 -182.915 -257.231 -252.023 GPRESSURE: 3491400 162.09 -62.9739 -252.475 -58.3467 105.093 -256.331 -118.629 -303.932 -196.644 PRESSAVG: 3491400 -6.21351 -2.76485 -13.5031 -2.76489 -10.2343 -52.0367 -13.5031 -52.0367 -20.3171 GPRESSAVG: 3491400 -5.83674 -2.78242 -12.0261 -6.30829 -11.8858 -51.3935 -13.2325 -53.4017 -18.6586 TIMING: 3491400 CPU: 11033.7, 0.00315678/step Wall: 11033.7, 0.00315678/step, 1.32286 hours remaining, 238.671875 MB of memory in use. ENERGY: 3491400 3961.8015 20364.2369 14443.6895 241.9734 -203326.1052 2682.2445 0.0000 0.0000 51797.3688 -109834.7907 297.6802 -161632.1595 -109465.5634 298.5303 -9.7078 23.5129 760970.0188 -12.2550 -12.1270 PRESSURE: 3491600 57.9679 76.4013 -82.8006 76.4004 -1.31395 -25.2407 -82.8003 -25.2418 -63.1692 GPRESSURE: 3491600 164.115 16.2049 -4.86298 128.724 28.0476 75.744 -132.458 -64.3939 -114.85 PRESSAVG: 3491600 28.3085 26.9721 48.5611 26.9721 -22.2093 -51.3466 48.5612 -51.3467 12.0104 GPRESSAVG: 3491600 29.3884 28.5408 48.65 28.6563 -21.1351 -51.8099 47.849 -50.6485 9.99615 TIMING: 3491600 CPU: 11034.4, 0.0031586/step Wall: 11034.4, 0.00315859/step, 1.32345 hours remaining, 238.671875 MB of memory in use. ENERGY: 3491600 3944.5727 20613.0455 14438.6424 230.7215 -203098.2501 2464.3908 0.0000 0.0000 51806.9031 -109599.9743 297.7350 -161406.8774 -109234.3706 299.0626 -2.1717 25.7709 761192.3076 6.0365 6.0832 PRESSURE: 3491800 3.16884 51.8414 287.323 51.841 -65.8444 8.32465 287.323 8.32471 -48.2065 GPRESSURE: 3491800 86.7189 -61.1652 253.752 -23.748 -122.3 -26.2937 246.945 -40.8105 16.7259 PRESSAVG: 3491800 19.2885 17.3376 19.6185 17.3375 -16.0956 -21.1274 19.6186 -21.1273 -26.6974 GPRESSAVG: 3491800 18.8001 16.2036 19.9382 16.044 -16.1366 -21.8703 17.7951 -21.0474 -26.5462 TIMING: 3491800 CPU: 11035, 0.00316131/step Wall: 11035, 0.00316131/step, 1.32441 hours remaining, 238.671875 MB of memory in use. ENERGY: 3491800 4068.0312 20402.3582 14461.8697 227.9127 -203080.4674 2405.7640 0.0000 0.0000 51942.7431 -109571.7885 298.5157 -161514.5316 -109223.3727 299.3465 -36.9607 -6.2849 760045.8005 -7.8348 -7.9609 PRESSURE: 3492000 -3.97744 -64.4761 142.493 -64.4766 -404.511 71.2917 142.494 71.2914 -322.705 GPRESSURE: 3492000 10.4293 3.51067 212.585 -23.0427 -304.585 14.475 50.1026 -85.1945 -328.28 PRESSAVG: 3492000 52.5626 -18.668 29.79 -18.668 -34.5806 19.8296 29.79 19.8295 -12.0413 GPRESSAVG: 3492000 52.3494 -18.4167 29.9296 -18.6528 -34.0316 19.3249 30.6918 18.0539 -12.1026 TIMING: 3492000 CPU: 11035.6, 0.00314995/step Wall: 11035.6, 0.00314995/step, 1.31948 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3492000 4007.0078 20476.2388 14376.4771 260.1134 -203758.4204 2710.8632 0.0000 0.0000 51999.1921 -109928.5279 298.8401 -161927.7200 -109563.3246 299.0438 -243.7310 -207.4787 760018.8101 1.9802 2.0718 PRESSURE: 3492200 -155.002 150.287 150.467 150.286 -55.2494 96.2518 150.467 96.2515 151.849 GPRESSURE: 3492200 -79.1475 118.018 193.167 212.226 -49.5722 195.192 51.3211 231.157 159.639 PRESSAVG: 3492200 32.0094 -1.88872 20.2955 -1.88864 5.52681 8.03164 20.2956 8.03176 -15.6572 GPRESSAVG: 3492200 32.1915 -1.50212 18.2034 -0.951913 5.24694 9.69334 21.0114 8.59829 -15.8545 TIMING: 3492200 CPU: 11036.3, 0.00315467/step Wall: 11036.3, 0.00315467/step, 1.32128 hours remaining, 238.671875 MB of memory in use. ENERGY: 3492200 3899.1907 20535.5681 14395.1722 249.3009 -203212.6978 2214.3107 0.0000 0.0000 52004.9361 -109914.2190 298.8731 -161919.1552 -109547.6917 299.1468 -19.4674 10.3064 759950.5591 7.2930 7.1947 LDB: ============= START OF LOAD BALANCING ============== 11048.7 LDB: ============== END OF LOAD BALANCING =============== 11048.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11048.7 LDB: ============= START OF LOAD BALANCING ============== 11049 LDB: Largest compute 7068 load 0.032423 is 16.5% of average load 0.196093 LDB: Average compute 0.004380 is 2.2% of average load 0.196093 LDB: TIME 11049 LOAD: AVG 0.196093 MAX 0.214763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.789 MB LDB: TIME 11049 LOAD: AVG 0.196093 MAX 0.214763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.789 MB LDB: TIME 11049 LOAD: AVG 0.196093 MAX 0.214763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.789 MB LDB: ============== END OF LOAD BALANCING =============== 11049 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11049 PRESSURE: 3492400 -75.719 -123.66 323.591 -123.66 -427.068 -192.293 323.592 -192.293 -398.297 GPRESSURE: 3492400 -46.9484 -101.782 352.249 -73.1623 -370.478 -109.375 297.058 -102.425 -394.732 PRESSAVG: 3492400 31.7302 -22.7084 -7.05967 -22.7084 -52.1199 -21.1008 -7.05971 -21.1008 -2.80983 GPRESSAVG: 3492400 32.1037 -24.5444 -7.02031 -23.0198 -51.7856 -21.7997 -8.97906 -20.0766 -3.19391 TIMING: 3492400 CPU: 11036.9, 0.00323315/step Wall: 11036.9, 0.00323315/step, 1.35397 hours remaining, 238.355469 MB of memory in use. ENERGY: 3492400 3966.9017 20500.7937 14386.4621 245.6182 -202784.0372 2012.0592 0.0000 0.0000 51811.7806 -109860.4216 297.7630 -161672.2022 -109491.1716 298.5763 -300.3614 -270.7196 758942.6830 -7.7332 -7.6253 PRESSURE: 3492600 -187.005 5.71093 -214.307 5.71146 -81.256 64.3552 -214.308 64.3539 -166.424 GPRESSURE: 3492600 -168.352 103.247 -187.122 -58.7906 12.4886 110.204 -191.721 54.7732 -168.455 PRESSAVG: 3492600 -3.21179 -22.9858 15.1536 -22.9858 4.18162 -3.75686 15.1536 -3.75688 1.39883 GPRESSAVG: 3492600 -3.41553 -21.3773 14.3104 -23.1302 4.72296 -4.4951 16.1785 -4.81247 1.55023 TIMING: 3492600 CPU: 11037.5, 0.00315881/step Wall: 11037.5, 0.00315881/step, 1.32266 hours remaining, 238.355469 MB of memory in use. ENERGY: 3492600 3974.2528 20623.0605 14457.4794 262.6646 -203521.5333 2715.6944 0.0000 0.0000 51766.4463 -109721.9352 297.5025 -161488.3816 -109366.8673 298.4604 -144.8949 -108.1061 759531.5126 0.7896 0.9526 PRESSURE: 3492800 -266.747 -63.1808 65.484 -63.1815 -208.878 97.3944 65.4846 97.3932 -14.5929 GPRESSURE: 3492800 -283.991 -37.504 14.4648 -15.8906 -153.963 51.1972 -33.2625 135.343 11.8845 PRESSAVG: 3492800 -4.61736 -32.1206 13.4402 -32.1206 54.8899 -12.1022 13.4402 -12.1022 -11.6912 GPRESSAVG: 3492800 -4.30711 -30.9664 15.8857 -33.0556 54.1413 -11.1352 13.44 -14.22 -11.0232 TIMING: 3492800 CPU: 11038.2, 0.00314083/step Wall: 11038.2, 0.00314083/step, 1.31496 hours remaining, 238.355469 MB of memory in use. ENERGY: 3492800 3970.1235 20450.6601 14498.7548 242.7248 -203325.9990 2445.4419 0.0000 0.0000 52107.3136 -109610.9802 299.4614 -161718.2938 -109251.4708 299.2020 -163.4060 -142.0232 758458.0901 12.8605 12.9370 PRESSURE: 3493000 -294.675 134.954 13.6659 134.954 -86.0653 -15.4665 13.6654 -15.4659 643.082 GPRESSURE: 3493000 -165.059 44.2764 11.7658 144.036 -59.9234 -11.2974 24.7024 89.3057 566.919 PRESSAVG: 3493000 -11.9536 -80.6158 -5.51002 -80.6158 23.5137 8.71774 -5.5101 8.71781 7.28864 GPRESSAVG: 3493000 -11.1248 -82.2244 -5.89603 -79.5685 22.064 8.71032 -5.51729 10.3494 7.58912 TIMING: 3493000 CPU: 11038.8, 0.0031698/step Wall: 11038.8, 0.0031698/step, 1.32691 hours remaining, 238.355469 MB of memory in use. ENERGY: 3493000 4065.4376 20653.5233 14416.2251 246.7336 -203229.9962 2468.4945 0.0000 0.0000 51869.5212 -109510.0609 298.0949 -161379.5821 -109168.1857 299.7152 87.4473 113.9790 759106.2182 6.2829 6.1761 PRESSURE: 3493200 368.657 -63.3392 -79.0434 -63.3383 1.39588 -88.3695 -79.0437 -88.3693 -118.368 GPRESSURE: 3493200 281.77 -271.743 -21.3139 43.8681 109.727 -133.234 -54.3123 -108.37 -61.3828 PRESSAVG: 3493200 -67.6974 9.90407 -7.34349 9.90408 45.7932 29.637 -7.34348 29.637 -22.8843 GPRESSAVG: 3493200 -68.1366 9.66902 -8.95276 8.79529 46.3101 28.9928 -7.14368 29.792 -23.5697 TIMING: 3493200 CPU: 11039.4, 0.00315278/step Wall: 11039.4, 0.00315278/step, 1.31961 hours remaining, 238.355469 MB of memory in use. ENERGY: 3493200 3934.0559 20591.5042 14435.1982 236.8926 -202932.7347 2345.1786 0.0000 0.0000 51861.9174 -109527.9878 298.0512 -161389.9052 -109166.9347 299.3341 83.8951 110.0381 759344.9592 -14.9295 -15.1321 PRESSURE: 3493400 -236.366 -37.0088 190.614 -37.0086 -96.085 -234.776 190.614 -234.775 -117.359 GPRESSURE: 3493400 -99.5502 -43.4744 75.8049 86.8883 -210.35 -123.29 177.87 -198.716 -52.5609 PRESSAVG: 3493400 -34.1165 2.41618 -32.2827 2.41621 48.7152 14.6725 -32.2827 14.6725 3.64518 GPRESSAVG: 3493400 -34.5217 1.19826 -33.0478 4.11104 48.8856 14.1029 -32.9096 14.3745 4.20981 TIMING: 3493400 CPU: 11040.1, 0.00316766/step Wall: 11040.1, 0.00316766/step, 1.32566 hours remaining, 238.355469 MB of memory in use. ENERGY: 3493400 3947.9339 20539.5291 14528.3264 250.6760 -203226.9386 2363.6847 0.0000 0.0000 52101.6600 -109495.1285 299.4290 -161596.7885 -109134.7452 299.2989 -149.9368 -120.8204 759828.0050 6.0813 6.1912 PRESSURE: 3493600 -281.682 -25.5788 73.0788 -25.5799 -26.2162 43.5496 73.0784 43.5506 -80.6077 GPRESSURE: 3493600 -294.677 33.8411 89.2131 -82.8362 -18.6798 -19.3403 -43.3099 108.329 5.24475 PRESSAVG: 3493600 9.36766 -25.1836 -5.28448 -25.1835 -6.1546 -55.1636 -5.28453 -55.1634 -3.51221 GPRESSAVG: 3493600 10.0866 -24.2149 -4.22836 -26.4384 -7.17566 -56.6068 -4.28547 -52.921 -2.9657 TIMING: 3493600 CPU: 11040.7, 0.0031705/step Wall: 11040.7, 0.00317051/step, 1.32668 hours remaining, 238.355469 MB of memory in use. ENERGY: 3493600 4036.8748 20557.3826 14411.6259 251.7158 -203577.9839 2635.1275 0.0000 0.0000 52238.7293 -109446.5280 300.2167 -161685.2573 -109079.6825 299.1076 -129.5019 -102.7042 759395.5641 -0.0997 -0.0182 PRESSURE: 3493800 -280.01 28.34 83.5418 28.3395 -221.463 -78.5045 83.5411 -78.5053 -240.803 GPRESSURE: 3493800 -267.835 68.6167 64.534 -26.1549 -245.555 -45.757 -32.7945 -135.837 -137.771 PRESSAVG: 3493800 0.468331 17.048 49.7858 17.048 -0.183191 -4.67069 49.7858 -4.67067 11.2022 GPRESSAVG: 3493800 -0.114064 19.0328 50.369 17.7974 0.0469004 -2.33153 48.3618 -6.40523 10.8765 TIMING: 3493800 CPU: 11041.3, 0.00314729/step Wall: 11041.3, 0.00314729/step, 1.31679 hours remaining, 238.355469 MB of memory in use. ENERGY: 3493800 4026.4739 20398.3744 14398.4489 242.5885 -203153.0814 2364.8181 0.0000 0.0000 52115.3570 -109607.0206 299.5077 -161722.3777 -109246.0400 299.4840 -247.4252 -217.0535 761078.5600 3.8291 3.6031 PRESSURE: 3494000 -275.28 -37.53 -26.0616 -37.5295 -89.1562 -88.041 -26.0622 -88.0413 -595.089 GPRESSURE: 3494000 -152.968 138.097 -38.7803 -5.11349 -48.372 -127.903 -105.63 -84.3266 -664.693 PRESSAVG: 3494000 -23.4835 -5.26994 -20.3899 -5.26998 27.3613 -28.4964 -20.3899 -28.4965 -10.8143 GPRESSAVG: 3494000 -24.1753 -6.05364 -21.4425 -5.5693 28.1624 -29.1306 -20.6985 -29.4539 -11.0746 TIMING: 3494000 CPU: 11042, 0.00316874/step Wall: 11042, 0.00316874/step, 1.32559 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3494000 4051.7487 20429.9535 14378.2343 262.0831 -202919.5858 2373.1184 0.0000 0.0000 51904.7194 -109519.7283 298.2971 -161424.4477 -109158.5418 299.1069 -319.8416 -288.6777 761756.9074 -2.3122 -2.3625 PRESSURE: 3494200 -97.926 63.9466 162.152 63.9472 -491.548 136.838 162.151 136.838 -388.037 GPRESSURE: 3494200 -143.2 14.4037 236.834 40.1358 -374.618 125.471 89.0866 137.141 -387.393 PRESSAVG: 3494200 -35.5799 -68.817 -8.82369 -68.817 -13.5063 16.0219 -8.82362 16.022 -12.9171 GPRESSAVG: 3494200 -35.0752 -69.8877 -8.45427 -67.641 -13.6938 17.0364 -8.23842 15.8228 -12.774 TIMING: 3494200 CPU: 11042.6, 0.00319319/step Wall: 11042.6, 0.00319319/step, 1.33564 hours remaining, 238.355469 MB of memory in use. ENERGY: 3494200 4056.8202 20621.0002 14404.5201 252.9715 -203003.3908 2170.3996 0.0000 0.0000 52019.6965 -109477.9828 298.9579 -161497.6792 -109119.8413 299.2564 -325.8370 -301.7370 760868.6515 -20.6678 -20.5143 PRESSURE: 3494400 74.9913 69.8277 -36.5325 69.8283 -315.792 239.264 -36.5323 239.264 -418.218 GPRESSURE: 3494400 -1.89107 129.797 -2.29915 34.5412 -195.523 224.877 -118.309 147.708 -387.171 PRESSAVG: 3494400 -55.9238 -29.6804 -0.105992 -29.6804 85.1921 -15.1838 -0.106004 -15.1838 6.7912 GPRESSAVG: 3494400 -55.5607 -29.8827 0.225564 -30.745 85.1759 -16.407 -0.50382 -15.6781 7.13131 TIMING: 3494400 CPU: 11043.2, 0.003176/step Wall: 11043.2, 0.003176/step, 1.32827 hours remaining, 238.355469 MB of memory in use. ENERGY: 3494400 4038.6274 20636.2600 14450.4081 240.4434 -203489.6445 2487.3515 0.0000 0.0000 52226.3489 -109410.2052 300.1455 -161636.5541 -109047.2370 299.2019 -219.6732 -194.8619 760566.4460 12.0198 12.2488 PRESSURE: 3494600 87.1041 -110.63 -53.513 -110.629 132.988 113.99 -53.5131 113.991 265.454 GPRESSURE: 3494600 134.483 -61.9672 -75.6828 -213.585 162.7 77.544 -123.866 60.2112 267.661 PRESSAVG: 3494600 -33.5322 -9.90786 36.2742 -9.90788 11.5206 11.8232 36.2742 11.8231 28.4233 GPRESSAVG: 3494600 -33.6419 -8.76505 36.413 -10.6017 12.0251 12.2173 34.5687 13.0427 27.8348 TIMING: 3494600 CPU: 11043.9, 0.00317045/step Wall: 11043.9, 0.00317045/step, 1.32578 hours remaining, 238.355469 MB of memory in use. ENERGY: 3494600 3931.2050 20472.7891 14442.7353 247.6379 -203401.0859 2606.3239 0.0000 0.0000 51962.9485 -109737.4462 298.6318 -161700.3947 -109378.2764 298.8580 161.8489 188.2811 761278.8041 2.1372 2.0727 PRESSURE: 3494800 -381.346 -14.2251 96.7593 -14.225 -233.787 73.9422 96.7586 73.9424 -201.661 GPRESSURE: 3494800 -290.436 -20.7424 109.351 -54.4314 -251.608 25.7191 172.364 103.767 -185.477 PRESSAVG: 3494800 21.0247 1.4043 8.97518 1.40431 34.9743 19.8411 8.97508 19.8411 -9.42906 GPRESSAVG: 3494800 21.0724 -0.733297 8.1143 1.20735 34.4338 19.2554 10.3403 19.8936 -8.75386 TIMING: 3494800 CPU: 11044.5, 0.00315917/step Wall: 11044.5, 0.00315917/step, 1.32088 hours remaining, 238.355469 MB of memory in use. ENERGY: 3494800 4000.3380 20512.7307 14419.0206 252.5354 -203114.8170 2062.7556 0.0000 0.0000 52166.8521 -109700.5846 299.8036 -161867.4367 -109329.7663 298.8370 -272.2647 -242.5071 759647.6743 15.5233 15.5841 PRESSURE: 3495000 5.38161 38.3653 6.78405 38.3645 -215.456 -71.0516 6.784 -71.0511 144.275 GPRESSURE: 3495000 -28.6595 41.5866 -16.2332 45.6875 -72.8783 -11.9038 28.3999 -116.86 122.28 PRESSAVG: 3495000 7.07334 -12.2086 0.224452 -12.2086 17.9793 12.5085 0.224376 12.5086 18.8712 GPRESSAVG: 3495000 8.1729 -12.2876 1.05787 -9.03416 17.5454 14.5815 0.724867 12.0741 18.7059 TIMING: 3495000 CPU: 11045.1, 0.00315267/step Wall: 11045.1, 0.00315267/step, 1.31799 hours remaining, 238.355469 MB of memory in use. ENERGY: 3495000 4013.1264 20391.3263 14419.5643 255.5786 -203038.6500 2406.6660 0.0000 0.0000 51803.8764 -109748.5120 297.7176 -161552.3884 -109386.3104 298.7762 -21.9333 6.9140 760474.2162 14.6413 14.8081 PRESSURE: 3495200 83.809 -185.068 -126.799 -185.068 -233.739 -76.2443 -126.798 -76.2431 168.778 GPRESSURE: 3495200 95.9098 -169.322 -61.9145 -87.7862 -150.048 -23.406 -192.61 39.8247 151.743 PRESSAVG: 3495200 40.2801 19.6069 1.20474 19.6069 -33.0418 35.9109 1.20468 35.9108 -31.9453 GPRESSAVG: 3495200 40.5131 20.4357 2.26562 18.9091 -33.2114 35.3654 0.984937 35.7322 -32.4132 TIMING: 3495200 CPU: 11045.8, 0.00316721/step Wall: 11045.8, 0.00316721/step, 1.3239 hours remaining, 238.355469 MB of memory in use. ENERGY: 3495200 4008.9738 20369.9354 14394.8032 240.1017 -203328.4070 2377.9999 0.0000 0.0000 52316.8542 -109619.7387 300.6657 -161936.5929 -109253.8355 299.2860 6.2825 32.5350 761349.2511 -8.2356 -8.3705 PRESSURE: 3495400 -36.0507 -79.4496 71.3897 -79.4493 -74.6225 -151.062 71.3895 -151.062 -262.402 GPRESSURE: 3495400 23.7977 -28.7615 -17.1095 -202.637 -106.1 -115.514 64.3959 -168.802 -209.374 PRESSAVG: 3495400 30.3547 -35.5119 -12.4356 -35.5119 -31.8171 0.267243 -12.4357 0.267168 15.9574 GPRESSAVG: 3495400 28.1238 -34.2169 -13.7845 -38.4651 -30.9263 -0.139989 -13.4195 2.95192 17.247 TIMING: 3495400 CPU: 11046.4, 0.00316103/step Wall: 11046.4, 0.00316103/step, 1.32114 hours remaining, 238.355469 MB of memory in use. ENERGY: 3495400 3951.7035 20553.5397 14511.7798 248.0663 -202828.2624 2084.4738 0.0000 0.0000 51934.0084 -109544.6908 298.4655 -161478.6992 -109182.3562 298.8292 -124.3583 -97.2254 761758.9375 4.8317 4.8148 PRESSURE: 3495600 148.222 32.7581 -36.3811 32.7577 -160.682 113.49 -36.3816 113.489 81.016 GPRESSURE: 3495600 136.544 -61.1977 11.2485 37.3126 -138.928 73.1271 -11.6321 70.2572 139.887 PRESSAVG: 3495600 -27.9941 -9.1159 -25.8761 -9.11585 4.57933 -36.3802 -25.8761 -36.3803 -10.2591 GPRESSAVG: 3495600 -25.922 -10.4432 -25.183 -8.42919 3.75805 -37.1767 -24.3997 -38.0184 -10.8764 TIMING: 3495600 CPU: 11047, 0.00316545/step Wall: 11047, 0.00316545/step, 1.32281 hours remaining, 238.355469 MB of memory in use. ENERGY: 3495600 4008.2713 20472.5058 14464.8147 240.3580 -203613.3397 2516.3455 0.0000 0.0000 52201.4100 -109709.6344 300.0022 -161911.0444 -109347.0993 299.4179 22.8519 45.8343 762168.0557 -11.2246 -11.0135 PRESSURE: 3495800 158.988 -66.1904 87.2809 -66.1915 269.545 -205.735 87.2821 -205.735 42.1568 GPRESSURE: 3495800 139.784 -116.769 220.032 -86.2031 320.686 -276.514 17.1227 -326.039 108.115 PRESSAVG: 3495800 -11.168 -37.1994 -11.0503 -37.1994 -31.1884 -27.0567 -11.0503 -27.0566 4.51331 GPRESSAVG: 3495800 -11.7456 -36.9674 -9.80513 -36.4967 -29.6216 -26.0664 -11.1701 -26.7206 3.72855 TIMING: 3495800 CPU: 11047.7, 0.00317522/step Wall: 11047.7, 0.00317522/step, 1.32671 hours remaining, 238.355469 MB of memory in use. ENERGY: 3495800 3999.8189 20432.5260 14458.1498 242.8318 -203061.1723 2241.1908 0.0000 0.0000 52010.8361 -109675.8189 298.9070 -161686.6550 -109319.7874 299.2688 156.8965 189.5282 761697.0398 -12.6143 -12.5462 PRESSURE: 3496000 90.7982 389.393 86.3831 389.392 271.794 135.642 86.3829 135.642 519.839 GPRESSURE: 3496000 201.804 424.436 6.7392 358.461 271.517 144.923 79.023 94.4435 510.823 PRESSAVG: 3496000 15.3248 0.00581622 -31.8536 0.00581367 3.85139 -13.1969 -31.8535 -13.197 14.8395 GPRESSAVG: 3496000 15.7795 -0.951517 -32.2685 -0.396519 1.97152 -12.0881 -32.9712 -14.3368 16.5015 TIMING: 3496000 CPU: 11048.3, 0.00316299/step Wall: 11048.3, 0.00316299/step, 1.32143 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3496000 4028.7218 20449.5352 14417.0589 247.2934 -203517.1494 2796.3348 0.0000 0.0000 51848.9926 -109729.2126 297.9769 -161578.2052 -109377.8145 298.9012 294.1437 328.0481 760995.0865 11.3386 11.4175 PRESSURE: 3496200 -69.504 -100.397 -169.708 -100.397 -110.048 112.041 -169.709 112.042 -119.272 GPRESSURE: 3496200 -49.2971 -103.801 -145.888 -57.5931 -113.934 102.534 -173.909 194.782 -59.1595 PRESSAVG: 3496200 4.02476 8.32035 32.7002 8.32036 16.4376 -20.8188 32.7002 -20.8187 -34.645 GPRESSAVG: 3496200 1.68835 6.31543 31.2149 8.92956 19.553 -22.3887 34.3225 -19.8723 -34.7315 TIMING: 3496200 CPU: 11048.9, 0.00317905/step Wall: 11048.9, 0.00317905/step, 1.32796 hours remaining, 238.355469 MB of memory in use. ENERGY: 3496200 4004.7019 20398.2947 14449.5263 254.1337 -203797.1677 2641.2659 0.0000 0.0000 52253.1241 -109796.1210 300.2994 -162049.2452 -109431.6752 298.9386 -99.6080 -74.1303 761325.9626 -4.7275 -4.4967 LDB: ============= START OF LOAD BALANCING ============== 11061.3 LDB: ============== END OF LOAD BALANCING =============== 11061.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11061.3 LDB: ============= START OF LOAD BALANCING ============== 11061.7 LDB: Largest compute 7024 load 0.031810 is 16.2% of average load 0.196128 LDB: Average compute 0.004383 is 2.2% of average load 0.196128 LDB: TIME 11061.7 LOAD: AVG 0.196128 MAX 0.219137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 11061.7 LOAD: AVG 0.196128 MAX 0.219137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 11061.7 LOAD: AVG 0.196128 MAX 0.218331 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 11061.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11061.7 PRESSURE: 3496400 -6.03279 -98.1459 121.754 -98.1456 113.966 82.1587 121.755 82.1584 382.519 GPRESSURE: 3496400 53.1758 -27.8848 -3.384 -66.1344 135.495 153.458 133.908 -12.2686 380.562 PRESSAVG: 3496400 19.721 22.303 18.1938 22.303 -36.9991 8.6479 18.1939 8.64783 4.75701 GPRESSAVG: 3496400 21.4051 23.4888 18.8203 21.5076 -38.3379 8.23597 18.3679 7.60744 4.38684 TIMING: 3496400 CPU: 11049.6, 0.00322172/step Wall: 11049.6, 0.00322172/step, 1.34561 hours remaining, 237.843750 MB of memory in use. ENERGY: 3496400 4057.2562 20453.7232 14439.3851 246.2782 -203496.5910 2621.0536 0.0000 0.0000 52127.1010 -109551.7937 299.5752 -161678.8947 -109195.7483 298.7079 163.4841 189.7442 760920.7960 -4.1737 -4.1820 PRESSURE: 3496600 -200.581 -143.745 -10.4323 -143.745 -417.011 -78.7117 -10.4329 -78.7119 -431.147 GPRESSURE: 3496600 -176.761 -65.2233 -27.9242 -78.4995 -361.397 -65.5868 -43.7551 -51.7425 -416.614 PRESSAVG: 3496600 10.5428 -22.8651 -47.4362 -22.8651 -20.9293 -14.1456 -47.4363 -14.1456 9.82025 GPRESSAVG: 3496600 10.6487 -24.9721 -47.8366 -23.598 -21.4782 -14.1676 -47.5293 -11.494 10.3085 TIMING: 3496600 CPU: 11050.2, 0.00313132/step Wall: 11050.2, 0.00313132/step, 1.30767 hours remaining, 237.843750 MB of memory in use. ENERGY: 3496600 4072.4646 20692.5042 14472.7868 241.3788 -203523.0736 2468.6922 0.0000 0.0000 51868.2944 -109706.9526 298.0878 -161575.2470 -109352.0105 298.7732 -349.5797 -318.2572 762617.1566 -0.1888 -0.1737 PRESSURE: 3496800 20.5439 94.5697 208.969 94.5693 8.56408 11.9333 208.969 11.9341 -440.388 GPRESSURE: 3496800 21.9859 127.011 237.424 26.8929 93.0412 -52.6535 249.061 -13.525 -457.511 PRESSAVG: 3496800 30.7809 -49.2416 5.01375 -49.2416 -71.6089 -18.1435 5.01371 -18.1435 -32.4754 GPRESSAVG: 3496800 31.2678 -45.7731 6.36474 -48.9397 -72.1714 -18.4009 3.13357 -19.807 -32.0214 TIMING: 3496800 CPU: 11050.8, 0.0031513/step Wall: 11050.8, 0.00315129/step, 1.31584 hours remaining, 237.843750 MB of memory in use. ENERGY: 3496800 3987.9649 20539.7892 14442.2001 233.4257 -203920.2221 2645.2842 0.0000 0.0000 52030.6219 -110040.9360 299.0207 -162071.5579 -109678.7620 298.6055 -137.0934 -114.1614 760576.2203 -24.4345 -24.3083 PRESSURE: 3497000 -567.239 -147.069 -58.5441 -147.069 -47.4815 -206.049 -58.5438 -206.05 223.524 GPRESSURE: 3497000 -474.006 -78.6894 -164.909 33.5159 -69.6489 -226.898 -41.9458 -188.769 243.761 PRESSAVG: 3497000 -4.94228 2.95876 68.8753 2.95875 -10.8921 -73.3482 68.8753 -73.3483 18.3881 GPRESSAVG: 3497000 -4.27894 -0.244168 68.038 4.70699 -10.394 -71.2789 70.4876 -76.3479 16.9702 TIMING: 3497000 CPU: 11051.5, 0.00313642/step Wall: 11051.5, 0.00313642/step, 1.30946 hours remaining, 237.843750 MB of memory in use. ENERGY: 3497000 4035.8150 20420.8257 14424.3182 255.5815 -203662.7820 2613.5160 0.0000 0.0000 51880.9449 -110031.7807 298.1605 -161912.7256 -109672.4883 298.1404 -130.3989 -99.9647 761130.8530 0.8512 0.7657 PRESSURE: 3497200 -83.7465 17.7747 129.702 17.7747 53.7802 190.614 129.704 190.614 -474.577 GPRESSURE: 3497200 -19.5296 87.8493 78.9284 12.907 44.7664 276.974 135.746 257.113 -463.388 PRESSAVG: 3497200 -58.5046 22.7995 -40.4356 22.7995 13.988 33.1157 -40.4356 33.1157 15.8405 GPRESSAVG: 3497200 -59.649 25.2386 -39.8488 20.577 15.3406 31.0532 -38.6232 34.7287 15.4422 TIMING: 3497200 CPU: 11052.1, 0.00316478/step Wall: 11052.1, 0.00316478/step, 1.32112 hours remaining, 237.843750 MB of memory in use. ENERGY: 3497200 3999.5223 20539.1645 14456.8996 241.8962 -203271.8640 2452.2254 0.0000 0.0000 51685.6380 -109896.5180 297.0381 -161582.1561 -109539.5038 298.8729 -168.1811 -146.0504 762008.3940 -9.5587 -9.6220 PRESSURE: 3497400 -273.763 128.239 -0.554712 128.238 -420.761 -116.763 -0.555483 -116.764 -150.19 GPRESSURE: 3497400 -260.665 72.393 11.4479 120.003 -338.039 -133.843 -99.1014 -103.903 -149.521 PRESSAVG: 3497400 -49.6394 -21.6009 -26.0911 -21.6009 28.6015 -15.9919 -26.0911 -15.9919 -10.6557 GPRESSAVG: 3497400 -50.0168 -22.3932 -26.6713 -20.5701 28.2672 -14.2948 -28.5957 -14.5272 -10.4586 TIMING: 3497400 CPU: 11052.7, 0.00317943/step Wall: 11052.7, 0.00317943/step, 1.32706 hours remaining, 237.843750 MB of memory in use. ENERGY: 3497400 3885.8353 20483.5856 14483.8551 245.2571 -203170.6228 2102.3137 0.0000 0.0000 51850.8475 -110118.9285 297.9875 -161969.7760 -109762.2015 298.6367 -281.5716 -249.4084 762222.8545 -10.5645 -10.7361 PRESSURE: 3497600 110.087 165.949 48.0078 165.95 20.325 -173.927 48.0083 -173.928 111.391 GPRESSURE: 3497600 126.859 129.665 129.697 -7.78204 135.914 -188.049 60.3298 -242.265 72.9024 PRESSAVG: 3497600 -9.90268 19.1753 -39.5737 19.1753 20.1709 -12.0062 -39.5737 -12.0063 2.44084 GPRESSAVG: 3497600 -8.26124 17.3225 -39.6916 20.09 18.7351 -12.606 -38.623 -11.7488 2.1486 TIMING: 3497600 CPU: 11053.4, 0.00315906/step Wall: 11053.4, 0.00315906/step, 1.31838 hours remaining, 237.843750 MB of memory in use. ENERGY: 3497600 3927.1017 20569.2545 14474.7235 216.9230 -203561.8184 2535.1947 0.0000 0.0000 51986.2780 -109852.3428 298.7659 -161838.6208 -109493.7322 298.4338 80.6013 111.8918 760158.8306 4.2364 4.2075 PRESSURE: 3497800 -58.483 -34.8935 -190.457 -34.8931 161.833 89.7683 -190.456 89.7678 -296.18 GPRESSURE: 3497800 48.0296 56.0312 -279.224 -34.9955 152.484 85.6139 -103.103 87.6601 -292.594 PRESSAVG: 3497800 6.99187 6.17679 -28.2999 6.17682 63.0682 31.795 -28.2999 31.7951 5.97156 GPRESSAVG: 3497800 6.65148 9.35861 -28.5913 5.98346 63.7383 30.8754 -25.6628 30.9468 5.76262 TIMING: 3497800 CPU: 11054, 0.00316931/step Wall: 11054, 0.00316931/step, 1.32248 hours remaining, 237.843750 MB of memory in use. ENERGY: 3497800 4025.4723 20494.3417 14404.7522 267.0441 -203378.6091 2473.2237 0.0000 0.0000 51759.9915 -109953.7836 297.4654 -161713.7751 -109596.3198 298.9132 -64.2767 -30.6935 761134.0406 25.3439 25.3841 PRESSURE: 3498000 -219.013 -71.1488 43.4868 -71.148 -182.763 46.7592 43.4871 46.7589 -398.403 GPRESSURE: 3498000 -228.249 20.7894 47.63 3.51574 -185.779 11.9644 94.638 -41.3817 -284.84 PRESSAVG: 3498000 -19.5442 -28.6399 18.2913 -28.6399 -4.74412 9.15325 18.2912 9.15316 -8.42319 GPRESSAVG: 3498000 -20.4513 -27.8891 19.89 -27.7702 -5.67497 10.0048 15.48 7.64158 -6.73379 TIMING: 3498000 CPU: 11054.6, 0.00316128/step Wall: 11054.6, 0.00316128/step, 1.31896 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3498000 4056.3885 20547.3674 14398.5348 244.9524 -203489.5041 2486.9374 0.0000 0.0000 51704.7045 -110050.6190 297.1476 -161755.3235 -109694.6779 298.2149 -266.7264 -232.9560 762717.3726 -10.9038 -10.9533 PRESSURE: 3498200 -116.491 198.887 233.84 198.887 162.66 -39.1464 233.84 -39.1465 -88.555 GPRESSURE: 3498200 -92.5839 190.854 215.246 -28.8696 231.948 119.309 222.649 -22.5452 -110.628 PRESSAVG: 3498200 23.0972 2.29701 44.9286 2.29694 -23.5834 15.8537 44.9287 15.8536 5.969 GPRESSAVG: 3498200 23.1478 -1.07171 44.1749 1.53417 -22.2814 14.7197 47.4985 18.7979 4.54422 TIMING: 3498200 CPU: 11055.3, 0.00314239/step Wall: 11055.3, 0.00314239/step, 1.3109 hours remaining, 237.843750 MB of memory in use. ENERGY: 3498200 3969.1884 20629.0030 14384.1730 248.4517 -203811.3477 2690.1646 0.0000 0.0000 51797.4553 -110092.9117 297.6807 -161890.3670 -109738.6734 298.0577 -14.1286 9.5787 760661.2028 1.8276 1.8035 PRESSURE: 3498400 -86.3519 -270.925 -13.9705 -270.925 -16.1358 120.472 -13.9691 120.473 107.635 GPRESSURE: 3498400 -36.1883 -204.697 67.3054 -258.591 31.4216 83.6074 -41.2955 47.3624 111.745 PRESSAVG: 3498400 -33.3215 -30.8608 39.0546 -30.8608 -13.5194 -69.3116 39.0546 -69.3117 -1.24091 GPRESSAVG: 3498400 -32.6118 -27.354 39.7561 -33.3481 -15.315 -67.4865 37.0882 -70.6445 -0.248201 TIMING: 3498400 CPU: 11055.9, 0.00313776/step Wall: 11055.9, 0.00313776/step, 1.30879 hours remaining, 237.843750 MB of memory in use. ENERGY: 3498400 4109.2674 20411.3103 14368.9440 250.8182 -203759.0705 2771.4340 0.0000 0.0000 51560.1731 -110287.1235 296.3170 -161847.2966 -109925.2647 298.3248 1.7157 35.6595 759432.4830 -16.0273 -16.0584 PRESSURE: 3498600 -157.249 50.338 -78.4204 50.3383 76.606 -11.5147 -78.4205 -11.5139 -26.4643 GPRESSURE: 3498600 -39.2897 131.105 -122.286 -50.0729 10.3187 25.9403 -12.4736 -52.3857 -0.526171 PRESSAVG: 3498600 -38.2451 -12.4752 5.79897 -12.4751 58.5434 32.2056 5.79893 32.2056 -1.79659 GPRESSAVG: 3498600 -38.3059 -14.3742 5.15074 -10.9742 58.732 29.8839 5.08531 32.9076 -2.28119 TIMING: 3498600 CPU: 11056.5, 0.00313145/step Wall: 11056.5, 0.00313146/step, 1.30599 hours remaining, 237.843750 MB of memory in use. ENERGY: 3498600 3912.2788 20646.8300 14430.3538 247.1663 -204011.5792 2733.7422 0.0000 0.0000 51837.0674 -110204.1409 297.9083 -162041.2083 -109846.1656 298.4568 -35.7026 -9.8324 761127.8697 6.1672 6.0483 PRESSURE: 3498800 99.4757 -201.467 171.97 -201.468 92.1952 -98.7315 171.971 -98.7308 -209.077 GPRESSURE: 3498800 217.742 -179.458 166.415 -99.9522 93.9622 -72.6726 196.738 -37.7515 -251.109 PRESSAVG: 3498800 -39.7758 -28.6474 8.85595 -28.6474 42.508 20.6771 8.85596 20.6771 9.35596 GPRESSAVG: 3498800 -39.8679 -29.887 10.3923 -28.6736 43.2368 21.2624 9.63891 19.9256 8.60003 TIMING: 3498800 CPU: 11057.1, 0.00313247/step Wall: 11057.1, 0.00313247/step, 1.30624 hours remaining, 237.843750 MB of memory in use. ENERGY: 3498800 4030.6199 20550.1221 14333.8634 236.1469 -203968.2999 2824.1214 0.0000 0.0000 51880.6032 -110112.8231 298.1585 -161993.4262 -109753.2306 298.3073 -5.8019 20.1983 760067.7961 4.0294 3.9896 PRESSURE: 3499000 -23.0088 -35.9744 258.686 -35.975 -38.0785 -127.615 258.685 -127.615 -123.08 GPRESSURE: 3499000 -7.25311 17.5237 200.182 11.9851 -0.889678 -102.004 219.689 50.6213 -95.8159 PRESSAVG: 3499000 -38.8756 -26.0668 -11.789 -26.0667 55.8435 35.6835 -11.789 35.6836 -29.0881 GPRESSAVG: 3499000 -40.4237 -27.2903 -12.0517 -25.8488 56.1075 37.2829 -14.1011 36.8383 -28.1709 TIMING: 3499000 CPU: 11057.8, 0.00313664/step Wall: 11057.8, 0.00313664/step, 1.3078 hours remaining, 237.843750 MB of memory in use. ENERGY: 3499000 4011.6718 20392.4486 14427.5152 251.0683 -204026.2583 2785.4736 0.0000 0.0000 51780.1745 -110377.9064 297.5814 -162158.0809 -110013.9382 297.6054 -61.3891 -34.6529 759962.0750 -4.0401 -4.1624 PRESSURE: 3499200 178.599 69.0295 57.1999 69.03 306.643 1.08827 57.2002 1.0884 -273.872 GPRESSURE: 3499200 220.687 -19.5738 -9.70804 73.9991 330.186 29.9088 92.3637 1.88937 -242.979 PRESSAVG: 3499200 53.4402 31.9234 31.4549 31.9234 -73.0686 66.0549 31.4549 66.0548 -7.17341 GPRESSAVG: 3499200 54.0463 36.1432 30.4385 31.2771 -72.7951 65.4815 34.5928 65.5962 -7.86865 TIMING: 3499200 CPU: 11058.4, 0.00315106/step Wall: 11058.4, 0.00315106/step, 1.31364 hours remaining, 237.843750 MB of memory in use. ENERGY: 3499200 4016.9622 20426.1478 14379.0964 236.6941 -203640.7375 2493.6677 0.0000 0.0000 51703.4501 -110384.7194 297.1404 -162088.1694 -110022.9228 297.8327 70.4565 102.6315 760510.5010 -8.9340 -8.8725 PRESSURE: 3499400 -335.403 164.6 -93.4144 164.6 -346.169 -57.4771 -93.4143 -57.4778 -273.686 GPRESSURE: 3499400 -272.11 140.494 8.77722 146.037 -268.012 -71.1072 -6.16706 -103.297 -327.313 PRESSAVG: 3499400 -18.5181 23.5899 12.9529 23.5899 4.83698 14.7284 12.9529 14.7284 8.70101 GPRESSAVG: 3499400 -18.4347 21.5237 13.3866 23.3072 3.96655 14.0855 11.243 15.649 9.03249 TIMING: 3499400 CPU: 11059, 0.00313442/step Wall: 11059, 0.00313442/step, 1.30653 hours remaining, 237.843750 MB of memory in use. ENERGY: 3499400 4015.6821 20528.2819 14477.7562 256.7143 -203694.4689 2538.5845 0.0000 0.0000 51761.5392 -110115.9108 297.4743 -161877.4500 -109763.6704 297.8978 -318.4194 -289.1453 764028.3563 -1.6600 -1.8119 PRESSURE: 3499600 246.538 349.68 158.917 349.68 158.379 -48.1236 158.917 -48.123 433.213 GPRESSURE: 3499600 251.799 254.142 114.689 370.804 245.658 -108.444 18.0203 191.881 433.94 PRESSAVG: 3499600 -19.4705 -26.3652 -26.2547 -26.3653 43.2473 -13.2266 -26.2548 -13.2266 16.3123 GPRESSAVG: 3499600 -19.9877 -24.3943 -26.893 -24.6162 43.5975 -13.7792 -25.6514 -15.0155 16.418 TIMING: 3499600 CPU: 11059.7, 0.00314083/step Wall: 11059.7, 0.00314083/step, 1.30903 hours remaining, 237.843750 MB of memory in use. ENERGY: 3499600 3941.5065 20448.5229 14450.0315 247.6148 -203978.2480 2935.7720 0.0000 0.0000 52061.8140 -109892.9863 299.2000 -161954.8003 -109521.1229 298.5240 279.3765 310.4657 761805.6449 13.3630 13.3426 PRESSURE: 3499800 -192.53 70.6126 107.136 70.6128 166.568 -47.6339 107.136 -47.6347 -278.711 GPRESSURE: 3499800 -176.898 88.8062 87.4853 21.4878 170.724 -58.7159 157.784 -100.764 -227.653 PRESSAVG: 3499800 7.74931 25.8664 2.01133 25.8664 53.525 0.735992 2.0113 0.736046 2.42713 GPRESSAVG: 3499800 7.16449 23.4013 1.0758 24.9015 54.0882 1.54553 2.28946 3.76784 2.23974 TIMING: 3499800 CPU: 11060.3, 0.0031432/step Wall: 11060.3, 0.0031432/step, 1.30984 hours remaining, 237.843750 MB of memory in use. ENERGY: 3499800 3988.3077 20560.0232 14409.5955 229.8309 -203900.3965 2769.7870 0.0000 0.0000 52152.9482 -109789.9040 299.7237 -161942.8522 -109419.6459 298.8037 -101.5577 -77.9422 761349.8762 21.2338 21.1641 PRESSURE: 3500000 -182.92 61.8735 114.63 61.873 16.6446 -216.843 114.63 -216.843 -18.2992 GPRESSURE: 3500000 -64.3801 116.976 89.7791 173.533 27.4367 -190.393 141.737 -122.825 -54.4092 PRESSAVG: 3500000 17.5429 -6.52288 -34.162 -6.52296 -30.2973 12.6 -34.1619 12.6 8.76123 GPRESSAVG: 3500000 17.8179 -6.25298 -33.0739 -4.20967 -31.4006 12.8825 -34.3103 11.3191 9.68063 TIMING: 3500000 CPU: 11060.9, 0.00315112/step Wall: 11060.9, 0.00315112/step, 1.31297 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3500000 3942.0077 20441.5615 14462.6694 247.1586 -203540.0142 2635.6880 0.0000 0.0000 52001.8549 -109809.0741 298.8554 -161810.9291 -109441.4863 299.0133 -61.5248 -30.4509 763291.7251 -1.3311 -1.3007 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500200 -475.451 42.3374 63.6455 42.3376 -471.492 154.623 63.6456 154.624 33.6813 GPRESSURE: 3500200 -413.237 -34.23 -22.2389 26.4404 -433.835 96.8679 116.234 68.3182 23.4031 PRESSAVG: 3500200 -82.6382 7.55896 -20.561 7.55901 31.298 -16.6137 -20.561 -16.6137 -34.5405 GPRESSAVG: 3500200 -81.9955 8.28993 -20.5413 4.14817 31.4456 -18.3366 -18.5863 -16.0229 -35.5855 TIMING: 3500200 CPU: 11061.6, 0.00325383/step Wall: 11061.6, 0.00325383/step, 1.35558 hours remaining, 237.968750 MB of memory in use. ENERGY: 3500200 4109.2365 20546.1029 14480.2043 267.5386 -203616.6322 2700.8392 0.0000 0.0000 51856.3265 -109656.3841 298.0190 -161512.7107 -109298.8213 298.9046 -304.4206 -274.5563 763675.9422 -28.6269 -28.7118 LDB: ============= START OF LOAD BALANCING ============== 11074 LDB: ============== END OF LOAD BALANCING =============== 11074 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11074 LDB: ============= START OF LOAD BALANCING ============== 11074.3 LDB: Largest compute 7032 load 0.031358 is 16.0% of average load 0.196027 LDB: Average compute 0.004377 is 2.2% of average load 0.196027 LDB: TIME 11074.3 LOAD: AVG 0.196027 MAX 0.21684 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.504 MB LDB: TIME 11074.3 LOAD: AVG 0.196027 MAX 0.21684 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.707 MB LDB: TIME 11074.3 LOAD: AVG 0.196027 MAX 0.21684 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.707 MB LDB: ============== END OF LOAD BALANCING =============== 11074.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11074.3 PRESSURE: 3500400 68.3722 -3.73198 -49.1049 -3.73155 -208.452 134.721 -49.1054 134.721 -352.797 GPRESSURE: 3500400 92.2022 -60.6869 -74.5701 -97.4274 -61.753 115.8 55.9109 103.517 -424.499 PRESSAVG: 3500400 -38.0337 23.4789 41.5325 23.479 16.9172 25.6358 41.5324 25.6358 -10.7923 GPRESSAVG: 3500400 -38.2279 23.1379 40.6878 27.0434 17.4829 26.6089 39.5367 24.0079 -10.8389 TIMING: 3500400 CPU: 11062.2, 0.00320879/step Wall: 11062.2, 0.00320879/step, 1.33664 hours remaining, 239.125000 MB of memory in use. ENERGY: 3500400 3939.1037 20504.7990 14469.0855 250.6510 -203225.0343 2446.9843 0.0000 0.0000 52110.1837 -109504.2270 299.4779 -161614.4108 -109142.5209 299.1796 -164.2923 -131.3499 762172.2549 -10.6363 -10.5280 PRESSURE: 3500600 113.346 -99.991 92.0744 -99.9904 327.498 48.728 92.0752 48.7282 -54.6915 GPRESSURE: 3500600 199.246 -68.1276 128.961 -11.4606 294.01 -26.9419 82.6281 31.568 -43.6079 PRESSAVG: 3500600 -6.3347 13.0972 43.9277 13.0972 10.6329 29.3032 43.9278 29.3032 -13.9992 GPRESSAVG: 3500600 -7.11637 15.462 43.9286 9.90185 12.0511 29.1812 45.2278 29.0625 -14.2598 TIMING: 3500600 CPU: 11062.8, 0.00314575/step Wall: 11062.8, 0.00314575/step, 1.31021 hours remaining, 239.125000 MB of memory in use. ENERGY: 3500600 4031.3468 20613.2294 14473.1047 248.6296 -203373.6267 2803.8821 0.0000 0.0000 51892.4218 -109311.0122 298.2265 -161203.4341 -108965.3631 299.4930 128.7174 149.8827 760626.9217 -3.2337 -3.1084 PRESSURE: 3500800 -56.6082 -118.256 161.187 -118.256 55.6371 -37.4143 161.187 -37.4144 -131.071 GPRESSURE: 3500800 -51.9904 -104.739 57.2189 -56.944 66.694 7.09248 101.476 -73.6726 -63.6144 PRESSAVG: 3500800 17.9809 -44.8943 57.2658 -44.8942 48.5626 -20.0717 57.2658 -20.0718 1.71731 GPRESSAVG: 3500800 19.117 -46.5097 57.4966 -44.3914 46.7054 -20.3557 55.7871 -18.4737 2.15397 TIMING: 3500800 CPU: 11063.5, 0.00315441/step Wall: 11063.5, 0.00315441/step, 1.31364 hours remaining, 239.125000 MB of memory in use. ENERGY: 3500800 3955.0013 20342.5545 14479.5882 267.5229 -203225.0655 2602.6503 0.0000 0.0000 52298.3960 -109279.3523 300.5596 -161577.7482 -108903.3978 300.1396 -44.0139 -16.3036 761987.2399 22.7536 22.6588 PRESSURE: 3501000 -59.7472 129.303 -235.625 129.304 51.2173 145.057 -235.625 145.056 153.155 GPRESSURE: 3501000 3.99389 104.646 -165.093 94.9704 77.2656 223.263 -162.66 61.7541 149.199 PRESSAVG: 3501000 -31.3091 -4.82913 -5.86095 -4.82912 34.6023 -20.1303 -5.86092 -20.1304 -10.3442 GPRESSAVG: 3501000 -31.0549 -3.9047 -5.42727 -6.2935 34.4962 -19.0949 -5.45857 -22.3446 -10.347 TIMING: 3501000 CPU: 11064.1, 0.00317944/step Wall: 11064.1, 0.00317944/step, 1.32388 hours remaining, 239.125000 MB of memory in use. ENERGY: 3501000 3944.0123 20549.2481 14517.8951 233.4564 -203493.2387 2838.8584 0.0000 0.0000 51996.2321 -109413.5363 298.8231 -161409.7684 -109055.7252 299.5846 48.2085 76.8195 761987.0283 -2.3503 -2.3019 PRESSURE: 3501200 -9.97855 -42.6109 -79.9001 -42.6114 -26.5517 81.202 -79.8991 81.2025 -28.718 GPRESSURE: 3501200 82.1714 -166.955 -63.34 10.5145 -86.2429 10.9356 -185.578 97.9867 25.0582 PRESSAVG: 3501200 -3.7951 -24.6817 -43.9089 -24.6817 -6.04065 61.782 -43.9089 61.7821 -35.3221 GPRESSAVG: 3501200 -4.25096 -26.9026 -44.0936 -22.2267 -6.60612 60.2042 -41.6008 63.7132 -34.7682 TIMING: 3501200 CPU: 11064.7, 0.00315452/step Wall: 11064.7, 0.00315452/step, 1.31333 hours remaining, 239.125000 MB of memory in use. ENERGY: 3501200 3933.6631 20546.9175 14424.9430 253.0218 -202904.5751 2417.6557 0.0000 0.0000 51959.4488 -109368.9253 298.6117 -161328.3741 -109017.9599 299.4771 -21.7494 6.9956 761391.8542 -15.0526 -15.2084 PRESSURE: 3501400 101.282 121.091 -97.5041 121.091 -221.747 169.557 -97.5029 169.556 -361.547 GPRESSURE: 3501400 35.0602 224.407 -70.1762 130.766 -114.197 172.078 -126.775 220.735 -321.366 PRESSAVG: 3501400 -3.25446 -4.15837 -10.0396 -4.15842 20.2788 31.3389 -10.0396 31.339 2.26167 GPRESSAVG: 3501400 -4.3076 -2.6832 -9.73015 -5.28457 20.4689 30.9502 -10.8065 29.7163 2.71318 TIMING: 3501400 CPU: 11065.4, 0.00316474/step Wall: 11065.4, 0.00316473/step, 1.31741 hours remaining, 239.125000 MB of memory in use. ENERGY: 3501400 4104.1468 20367.8510 14386.2578 244.0644 -203020.1212 2564.0677 0.0000 0.0000 52080.2819 -109273.4515 299.3061 -161353.7335 -108913.8494 299.4709 -160.6706 -133.5011 763335.7682 6.4287 6.2915 PRESSURE: 3501600 -131.158 173.229 -14.0484 173.23 -15.9017 -36.4911 -14.0483 -36.4924 -30.9369 GPRESSURE: 3501600 -93.8549 51.1738 -1.83187 189.615 69.4693 1.42831 60.0746 33.672 -58.9229 PRESSAVG: 3501600 -47.9492 -6.49693 1.73273 -6.49687 10.4472 3.78993 1.73273 3.7899 4.3961 GPRESSAVG: 3501600 -47.7622 -6.25129 0.994233 -4.99306 10.7522 3.53741 0.813616 4.30502 3.5758 TIMING: 3501600 CPU: 11066, 0.0031784/step Wall: 11066, 0.0031784/step, 1.32292 hours remaining, 239.125000 MB of memory in use. ENERGY: 3501600 4027.8348 20497.1762 14376.7142 245.0970 -203322.4188 2664.3002 0.0000 0.0000 52050.4401 -109460.8564 299.1346 -161511.2965 -109111.0142 299.7296 -59.3322 -27.7695 763072.5836 -11.0353 -11.1447 PRESSURE: 3501800 243.598 -49.51 -105.56 -49.5104 57.7178 30.8959 -105.559 30.8963 76.8021 GPRESSURE: 3501800 191.527 -43.2796 -105.429 -66.7023 122.396 69.038 -187.203 -11.1986 129.576 PRESSAVG: 3501800 3.06837 12.1444 -37.869 12.1445 2.98183 -13.5956 -37.8691 -13.5955 9.42721 GPRESSAVG: 3501800 3.42032 13.9253 -36.7633 10.7561 3.25377 -13.1398 -37.0533 -12.7607 8.3145 TIMING: 3501800 CPU: 11066.6, 0.00316645/step Wall: 11066.6, 0.00316645/step, 1.31777 hours remaining, 239.125000 MB of memory in use. ENERGY: 3501800 3933.4713 20247.2033 14393.2726 244.7757 -203520.6379 2878.0996 0.0000 0.0000 52193.2634 -109630.5519 299.9554 -161823.8153 -109256.7725 299.1075 126.0395 147.8332 762086.1096 5.1591 4.9962 PRESSURE: 3502000 143.186 1.01353 -118.242 1.01315 -144.762 131.972 -118.242 131.971 -57.2469 GPRESSURE: 3502000 138.735 -108.984 -78.2353 -53.947 -144.793 172.46 -124.281 149.52 13.3374 PRESSAVG: 3502000 -4.66479 -2.53678 -17.9713 -2.53673 12.1244 -38.3491 -17.9713 -38.3491 -5.19121 GPRESSAVG: 3502000 -5.05725 -5.16185 -17.8389 -1.89379 11.4339 -38.8813 -17.4791 -38.3131 -3.81096 TIMING: 3502000 CPU: 11067.3, 0.00317607/step Wall: 11067.3, 0.00317607/step, 1.3216 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3502000 3942.9908 20476.6365 14419.5995 266.2435 -203479.2324 2715.9884 0.0000 0.0000 52031.4237 -109626.3500 299.0253 -161657.7736 -109266.2325 298.9150 -19.6077 2.4266 761429.2803 0.7561 0.8552 PRESSURE: 3502200 253.395 16.1602 -155.46 16.1591 74.5792 -27.6235 -155.46 -27.6224 193.446 GPRESSURE: 3502200 232.397 -21.4674 -150.409 -45.0664 103.651 -49.7558 -176.212 -101.847 261.637 PRESSAVG: 3502200 23.5409 6.79857 -29.9679 6.79856 -43.933 -13.9773 -29.968 -13.9773 -32.6267 GPRESSAVG: 3502200 22.89 6.24963 -28.1745 5.90439 -43.6264 -11.568 -33.8074 -15.9146 -31.6955 TIMING: 3502200 CPU: 11067.9, 0.00317969/step Wall: 11067.9, 0.00317969/step, 1.32293 hours remaining, 239.125000 MB of memory in use. ENERGY: 3502200 3947.2442 20573.4708 14383.0894 232.2186 -203160.5932 2660.9546 0.0000 0.0000 51876.3590 -109487.2566 298.1341 -161363.6156 -109129.6288 299.1850 173.8065 199.2283 760453.1027 -17.6729 -17.4773 PRESSURE: 3502400 462.656 -11.2015 71.4291 -11.2013 -202.663 167.05 71.4286 167.051 -17.0792 GPRESSURE: 3502400 468.719 -43.0722 48.2509 -9.03914 -186.793 192.531 48.021 49.5788 67.0768 PRESSAVG: 3502400 69.0454 -21.5872 -15.6012 -21.5873 -36.7952 -23.4195 -15.6012 -23.4196 15.4069 GPRESSAVG: 3502400 70.106 -20.2854 -17.533 -21.003 -36.9093 -25.685 -13.7959 -22.5446 15.1362 TIMING: 3502400 CPU: 11068.5, 0.00318471/step Wall: 11068.5, 0.00318471/step, 1.32484 hours remaining, 239.125000 MB of memory in use. ENERGY: 3502400 3952.7573 20761.2154 14368.7280 248.9924 -203206.8402 2550.6754 0.0000 0.0000 51999.0934 -109325.3784 298.8395 -161324.4718 -108970.5492 299.5125 80.9711 116.3345 760567.8374 15.8857 16.1110 PRESSURE: 3502600 -44.2725 165.775 -193.172 165.775 -369.318 -87.122 -193.173 -87.1222 -158.698 GPRESSURE: 3502600 -20.3533 89.1129 -185.686 42.8883 -359.543 -40.1276 -204.667 -149.988 -111.022 PRESSAVG: 3502600 20.7477 18.9849 -34.1934 18.9849 7.53653 -32.4753 -34.1934 -32.4752 -13.0894 GPRESSAVG: 3502600 20.2369 19.8986 -33.8748 18.9992 7.54826 -33.3177 -33.2909 -31.911 -13.0383 TIMING: 3502600 CPU: 11069.2, 0.00316804/step Wall: 11069.2, 0.00316804/step, 1.31773 hours remaining, 239.125000 MB of memory in use. ENERGY: 3502600 3970.1333 20466.1160 14415.1915 247.8168 -203090.8068 2243.9810 0.0000 0.0000 52169.9187 -109577.6494 299.8212 -161747.5681 -109209.4512 299.7455 -190.7627 -163.6394 761472.2884 5.0649 4.9156 PRESSURE: 3502800 14.2356 68.1812 87.1771 68.1812 -146.206 -267.165 87.1771 -267.165 81.2188 GPRESSURE: 3502800 3.06592 -45.2375 100.188 96.9651 -54.6571 -247.789 86.4895 -162.324 106.043 PRESSAVG: 3502800 67.0582 18.6828 -4.59731 18.6828 5.55526 -4.50761 -4.59731 -4.50763 4.61651 GPRESSAVG: 3502800 68.4532 17.282 -4.41625 20.821 4.29159 -3.27692 -5.72079 -3.65636 4.29999 TIMING: 3502800 CPU: 11069.8, 0.00315874/step Wall: 11069.8, 0.00315874/step, 1.31369 hours remaining, 239.125000 MB of memory in use. ENERGY: 3502800 4029.3520 20511.5582 14486.0395 238.7983 -203208.6019 2475.6291 0.0000 0.0000 52106.1304 -109361.0944 299.4546 -161467.2248 -109000.1549 299.7532 -16.9172 18.1505 759898.0502 25.7433 25.6816 PRESSURE: 3503000 -177.54 -352.199 141.478 -352.198 -10.8104 109.938 141.478 109.938 229.257 GPRESSURE: 3503000 -154.988 -286.234 129.041 -154.042 61.7715 84.8667 77.0341 159.946 206.096 PRESSAVG: 3503000 19.6456 4.46543 -7.60724 4.46546 11.282 34.9108 -7.60728 34.9108 -4.84513 GPRESSAVG: 3503000 19.92 4.3953 -8.2832 4.64799 12.2439 35.3343 -6.84339 34.7475 -6.54572 TIMING: 3503000 CPU: 11070.4, 0.0031591/step Wall: 11070.4, 0.0031591/step, 1.31366 hours remaining, 239.125000 MB of memory in use. ENERGY: 3503000 4012.9487 20567.3836 14410.3853 233.2242 -203290.0940 2231.8724 0.0000 0.0000 52367.6053 -109466.6747 300.9573 -161834.2799 -109101.2192 300.5175 13.6356 37.6266 759573.3891 8.6942 8.5394 PRESSURE: 3503200 488.611 -91.1181 -41.6875 -91.1181 510.423 -158.412 -41.6886 -158.412 -130.814 GPRESSURE: 3503200 533.585 -83.0249 -8.89792 16.0601 437.494 -112.62 -95.1043 -311.413 -45.5385 PRESSAVG: 3503200 3.21378 -18.7401 14.118 -18.7401 -10.2154 -33.3404 14.118 -33.3403 6.27609 GPRESSAVG: 3503200 2.55241 -17.4744 14.921 -21.0849 -10.4116 -32.1928 14.0427 -36.5863 7.41361 TIMING: 3503200 CPU: 11071.1, 0.00316561/step Wall: 11071.1, 0.00316561/step, 1.31619 hours remaining, 239.125000 MB of memory in use. ENERGY: 3503200 3924.5521 20477.1880 14390.8603 235.4317 -203571.6608 2737.2459 0.0000 0.0000 52408.0759 -109398.3067 301.1899 -161806.3827 -109032.1829 299.9366 289.4068 308.5133 760315.6007 -0.2418 -0.1485 PRESSURE: 3503400 -46.526 -36.3615 8.25459 -36.3619 177.248 30.7938 8.25389 30.7942 -288.386 GPRESSURE: 3503400 35.4854 40.926 -17.1581 76.9451 202.272 17.7641 31.2309 -24.3099 -305.907 PRESSAVG: 3503400 55.9477 -30.7822 2.98572 -30.7822 -21.0391 -8.4698 2.9857 -8.46983 -8.69742 GPRESSAVG: 3503400 56.9036 -32.561 2.47552 -29.6325 -21.4849 -10.8703 3.14124 -6.50642 -8.95299 TIMING: 3503400 CPU: 11071.7, 0.00316779/step Wall: 11071.7, 0.00316779/step, 1.31692 hours remaining, 239.125000 MB of memory in use. ENERGY: 3503400 4027.2489 20555.4507 14429.7656 244.7370 -203295.9686 2641.0233 0.0000 0.0000 52203.0065 -109194.7366 300.0114 -161397.7431 -108831.6588 300.2684 -52.5547 -22.7166 760540.1036 8.7371 8.8219 PRESSURE: 3503600 -352.448 135.943 334.794 135.943 -185.892 -176.442 334.794 -176.442 -529.066 GPRESSURE: 3503600 -405.217 131.065 287.764 103.279 -16.4762 -141.576 228.586 -176.626 -539.083 PRESSAVG: 3503600 -0.892448 17.403 57.3316 17.403 2.4266 5.29131 57.3316 5.2913 12.497 GPRESSAVG: 3503600 -1.99562 17.11 57.8658 18.9092 2.62275 4.11427 56.1444 5.8528 13.6205 TIMING: 3503600 CPU: 11072.3, 0.00316151/step Wall: 11072.3, 0.00316151/step, 1.31414 hours remaining, 239.125000 MB of memory in use. ENERGY: 3503600 4051.5638 20525.3992 14470.7813 239.5108 -202830.1910 2080.0948 0.0000 0.0000 52283.8437 -109178.9974 300.4760 -161462.8411 -108800.9252 299.8078 -355.8020 -320.2588 762567.2893 4.6771 4.7492 PRESSURE: 3503800 257.28 184.542 253.941 184.541 -151.062 -146.524 253.941 -146.522 139.891 GPRESSURE: 3503800 328.61 116.143 223.641 122.751 -186.878 -233.494 231.652 4.63477 179.619 PRESSAVG: 3503800 0.0075999 32.8587 46.8302 32.8587 2.39018 -19.1549 46.8302 -19.1549 -15.8484 GPRESSAVG: 3503800 -0.8844 33.9117 45.4996 30.0532 3.5994 -16.1288 49.9796 -21.4661 -15.3767 TIMING: 3503800 CPU: 11073, 0.00317037/step Wall: 11073, 0.00317037/step, 1.31764 hours remaining, 239.125000 MB of memory in use. ENERGY: 3503800 3981.5692 20685.0409 14414.5732 258.3040 -203591.6356 2819.1222 0.0000 0.0000 52260.6322 -109172.3939 300.3426 -161433.0261 -108811.5822 300.2817 82.0363 107.1170 760605.5293 -4.4835 -4.2206 PRESSURE: 3504000 94.9099 40.5772 210.851 40.5776 36.7008 -91.7829 210.85 -91.783 -153.671 GPRESSURE: 3504000 89.355 96.3366 117.318 -64.9975 4.83952 -101.033 275.489 -88.8739 -39.5267 PRESSAVG: 3504000 -10.2232 -13.0117 30.7613 -13.0116 34.7424 -60.2641 30.7613 -60.2641 3.10754 GPRESSAVG: 3504000 -8.93356 -15.0135 32.98 -11.045 33.3739 -62.898 29.6816 -58.9278 2.90937 TIMING: 3504000 CPU: 11073.6, 0.00316123/step Wall: 11073.6, 0.00316123/step, 1.31367 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3504000 4058.3575 20412.2429 14423.8609 253.0243 -202955.8914 2397.2315 0.0000 0.0000 51993.1381 -109418.0362 298.8053 -161411.1743 -109056.4160 299.3454 -7.3536 18.2226 760003.9398 9.2089 9.1166 PRESSURE: 3504200 -449.084 50.0816 182.299 50.0823 -89.3492 -173.747 182.299 -173.747 -84.2391 GPRESSURE: 3504200 -388.804 63.6518 114.483 59.036 -55.1953 -137.731 200.974 -233.067 -89.7216 PRESSAVG: 3504200 -33.241 9.22161 -9.46493 9.22171 10.041 -17.3614 -9.46489 -17.3614 0.565056 GPRESSAVG: 3504200 -33.2696 11.8274 -10.0239 6.61577 11.2474 -15.2024 -11.1335 -15.9229 -0.591736 TIMING: 3504200 CPU: 11074.2, 0.00314897/step Wall: 11074.2, 0.00314897/step, 1.3084 hours remaining, 239.125000 MB of memory in use. ENERGY: 3504200 4048.4987 20458.6424 14392.8549 263.4686 -202545.7120 2103.0580 0.0000 0.0000 52079.7226 -109199.4668 299.3029 -161279.1894 -108829.7243 299.3693 -207.5574 -177.9069 762283.7761 -7.5450 -7.5380 LDB: ============= START OF LOAD BALANCING ============== 11086.6 LDB: ============== END OF LOAD BALANCING =============== 11086.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11086.6 LDB: ============= START OF LOAD BALANCING ============== 11087 LDB: Largest compute 7024 load 0.033625 is 17.2% of average load 0.196050 LDB: Average compute 0.004392 is 2.2% of average load 0.196050 LDB: TIME 11087 LOAD: AVG 0.19605 MAX 0.216368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 11087 LOAD: AVG 0.19605 MAX 0.216368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: TIME 11087 LOAD: AVG 0.19605 MAX 0.216368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: ============== END OF LOAD BALANCING =============== 11087 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11087 PRESSURE: 3504400 -217.948 40.7248 44.3373 40.7254 -168.127 13.6584 44.3372 13.6577 -76.2567 GPRESSURE: 3504400 -165.061 12.6734 52.4932 41.0105 -193.513 133.922 37.5685 -38.79 -20.5724 PRESSAVG: 3504400 14.5309 46.6846 -4.32171 46.6846 -0.0165622 -7.62493 -4.32168 -7.62493 16.7537 GPRESSAVG: 3504400 14.9818 45.2973 -5.97675 48.9236 -0.942426 -8.90186 -1.84995 -7.36683 17.103 TIMING: 3504400 CPU: 11074.9, 0.00322878/step Wall: 11074.9, 0.00322878/step, 1.34138 hours remaining, 238.414062 MB of memory in use. ENERGY: 3504400 3934.3557 20520.6872 14430.9138 234.8926 -202979.0111 2267.0743 0.0000 0.0000 52154.3422 -109436.7453 299.7317 -161591.0875 -109074.9920 299.8215 -154.1106 -126.3820 761601.0498 10.4227 10.3808 PRESSURE: 3504600 -273.469 52.7382 -97.563 52.738 -156.605 152.05 -97.564 152.05 162.912 GPRESSURE: 3504600 -182.027 4.35909 -90.7619 -42.2338 -75.4684 160.649 -171.297 113.415 61.6781 PRESSAVG: 3504600 3.18746 -8.57088 -35.8104 -8.57083 -6.16662 -40.4652 -35.8105 -40.4652 12.3377 GPRESSAVG: 3504600 2.60718 -7.4335 -33.9143 -8.25677 -5.88379 -41.1856 -38.0095 -40.7072 12.9032 TIMING: 3504600 CPU: 11075.5, 0.00317255/step Wall: 11075.5, 0.00317255/step, 1.31784 hours remaining, 238.414062 MB of memory in use. ENERGY: 3504600 4041.0536 20513.4151 14401.5458 235.0150 -203111.6744 2505.2975 0.0000 0.0000 52016.1329 -109399.2143 298.9374 -161415.3472 -109050.2669 299.1476 -89.0538 -65.2725 761817.9850 3.1195 3.2089 PRESSURE: 3504800 -158.7 -0.321781 18.6197 -0.32202 16.203 -20.1385 18.6194 -20.1382 309.639 GPRESSURE: 3504800 -143.631 55.0389 19.5878 -88.1043 58.7827 -26.8224 28.693 -98.4351 320.327 PRESSAVG: 3504800 5.87767 19.2565 -45.4184 19.2564 36.3067 20.299 -45.4185 20.2991 -8.62224 GPRESSAVG: 3504800 6.47385 19.2616 -46.9592 18.8298 36.341 22.3703 -44.3446 19.0378 -9.33684 TIMING: 3504800 CPU: 11076.2, 0.00318316/step Wall: 11076.2, 0.00318316/step, 1.32207 hours remaining, 238.414062 MB of memory in use. ENERGY: 3504800 4029.8772 20645.6030 14410.6407 235.6539 -203399.5843 2655.6557 0.0000 0.0000 51989.5548 -109432.5988 298.7847 -161422.1537 -109079.6380 299.2791 55.7139 78.4927 761474.8425 11.1874 11.1593 PRESSURE: 3505000 169.319 -107.595 180.918 -107.594 -44.3457 -81.1639 180.919 -81.1646 353.644 GPRESSURE: 3505000 207.58 -137.979 240.256 -172.7 42.2864 -137.969 36.9832 -30.4974 341.04 PRESSAVG: 3505000 -3.68487 11.867 -29.0436 11.867 -16.6524 -47.0644 -29.0436 -47.0642 22.7733 GPRESSAVG: 3505000 -4.12812 11.0453 -28.0985 10.6109 -17.2293 -47.6057 -30.4728 -46.2871 23.3558 TIMING: 3505000 CPU: 11076.8, 0.00316453/step Wall: 11076.8, 0.00316453/step, 1.31416 hours remaining, 238.414062 MB of memory in use. ENERGY: 3505000 3964.9062 20722.5129 14430.7531 243.3707 -203153.4718 2451.5817 0.0000 0.0000 51976.0545 -109364.2927 298.7071 -161340.3471 -109010.1667 299.1332 159.5388 196.9687 760969.3673 0.8120 0.6661 PRESSURE: 3505200 439.98 -209.826 55.4217 -209.826 166.536 113.444 55.4205 113.443 -37.8999 GPRESSURE: 3505200 447.882 -255.503 56.2958 -82.5073 259.568 130.718 165.062 51.1898 -23.6778 PRESSAVG: 3505200 24.5618 -48.1108 46.1482 -48.1108 9.92681 -18.1124 46.1482 -18.1124 7.98559 GPRESSAVG: 3505200 23.4013 -46.0183 46.6081 -49.2396 11.4786 -19.383 46.7193 -18.2293 7.88394 TIMING: 3505200 CPU: 11077.4, 0.0031604/step Wall: 11077.4, 0.0031604/step, 1.31227 hours remaining, 238.414062 MB of memory in use. ENERGY: 3505200 3885.2594 20578.8395 14437.3002 253.0533 -203406.2903 2575.1876 0.0000 0.0000 52142.3388 -109534.3113 299.6627 -161676.6501 -109171.2620 299.4026 189.5387 227.9242 760517.7270 14.1581 14.2546 PRESSURE: 3505400 103.834 -267.65 90.5059 -267.65 -15.1203 -60.4397 90.5057 -60.4391 190.412 GPRESSURE: 3505400 191.076 -121.855 136.762 -283.335 36.6538 7.13973 -17.496 87.0363 135.17 PRESSAVG: 3505400 19.075 -56.3248 10.2851 -56.3249 -39.029 -38.9839 10.2852 -38.9838 -10.7625 GPRESSAVG: 3505400 20.8469 -58.5997 8.92452 -53.6476 -39.8797 -37.5953 10.8865 -37.697 -11.299 TIMING: 3505400 CPU: 11078.1, 0.00316446/step Wall: 11078.1, 0.00316446/step, 1.31378 hours remaining, 238.414062 MB of memory in use. ENERGY: 3505400 4034.6657 20491.2083 14458.7033 230.9613 -203363.0457 2533.2326 0.0000 0.0000 52234.6108 -109379.6636 300.1930 -161614.2744 -109020.4482 299.6165 93.0419 120.9666 761054.9254 -10.2389 -10.1106 PRESSURE: 3505600 -464.97 148.829 -191.755 148.829 -435.972 80.387 -191.755 80.3872 -499.845 GPRESSURE: 3505600 -488.942 160.133 -188.707 159.482 -260.64 138.944 -178.821 63.5376 -570.613 PRESSAVG: 3505600 10.5097 -10.9555 -18.533 -10.9555 -16.6356 -21.9661 -18.533 -21.9661 8.15058 GPRESSAVG: 3505600 10.0038 -10.9977 -18.0395 -11.8865 -15.3127 -21.4879 -18.7686 -23.6574 7.79644 TIMING: 3505600 CPU: 11078.7, 0.00314569/step Wall: 11078.7, 0.00314569/step, 1.30581 hours remaining, 238.414062 MB of memory in use. ENERGY: 3505600 3970.5221 20651.9395 14455.3354 253.9770 -203186.7265 2370.4191 0.0000 0.0000 52342.6486 -109141.8848 300.8139 -161484.5335 -108773.0901 299.7822 -466.9291 -440.0651 762016.2787 0.6749 0.8292 PRESSURE: 3505800 -5.20118 30.3135 -77.7295 30.3137 473.896 26.1502 -77.7302 26.1512 81.6865 GPRESSURE: 3505800 11.2743 123.943 -159.832 -22.3717 457.313 66.4476 -106.181 62.6508 153.217 PRESSAVG: 3505800 -11.7694 18.5358 -45.0971 18.5358 39.464 -57.3004 -45.0971 -57.3004 -22.7094 GPRESSAVG: 3505800 -11.9761 18.969 -46.2695 19.3818 38.857 -56.5761 -42.9882 -57.0204 -22.0887 TIMING: 3505800 CPU: 11079.3, 0.00315012/step Wall: 11079.3, 0.00315012/step, 1.30747 hours remaining, 238.414062 MB of memory in use. ENERGY: 3505800 4008.7339 20529.6657 14415.6947 249.8492 -203431.3678 2566.1195 0.0000 0.0000 52525.8454 -109135.4594 301.8668 -161661.3048 -108777.4891 300.4662 183.4604 207.2681 758390.8772 1.6617 1.5974 PRESSURE: 3506000 129.002 -160.808 -34.2859 -160.807 208.605 -104.374 -34.2876 -104.374 -124.292 GPRESSURE: 3506000 170.119 -263.915 -109.522 -42.5285 177.622 -159.756 43.7575 -78.3845 -56.3926 PRESSAVG: 3506000 29.6057 -20.5859 -51.0147 -20.5859 -19.5051 29.3578 -51.0146 29.3578 -0.343237 GPRESSAVG: 3506000 31.1997 -20.0438 -50.2892 -20.3176 -19.617 29.4353 -52.4599 29.4834 -1.17162 TIMING: 3506000 CPU: 11079.9, 0.00316824/step Wall: 11079.9, 0.00316824/step, 1.31482 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3506000 4041.7496 20468.8822 14476.1802 261.3920 -203265.9681 2766.5618 0.0000 0.0000 52000.0312 -109251.1712 298.8449 -161251.2024 -108890.5582 300.5576 71.1051 97.1163 760371.1561 3.2525 3.4703 PRESSURE: 3506200 295.111 223.639 -423.019 223.64 229.029 144.064 -423.019 144.064 8.0021 GPRESSURE: 3506200 378.98 267.904 -343.279 259.491 208.594 112.438 -293.657 94.9808 11.5765 PRESSAVG: 3506200 -34.514 14.0126 -60.3665 14.0127 41.0869 -7.6111 -60.3665 -7.61104 -27.9109 GPRESSAVG: 3506200 -34.6693 15.0113 -60.9121 12.1409 40.6255 -8.47476 -59.1619 -7.30738 -27.2745 TIMING: 3506200 CPU: 11080.6, 0.00316111/step Wall: 11080.6, 0.00316111/step, 1.31169 hours remaining, 238.414062 MB of memory in use. ENERGY: 3506200 4052.4682 20691.4824 14530.2695 248.1816 -202895.3798 2201.1789 0.0000 0.0000 51964.8083 -109206.9910 298.6425 -161171.7993 -108846.1858 300.3246 177.3808 199.7165 759517.2061 -7.1127 -7.1061 PRESSURE: 3506400 160.418 -53.8247 246.996 -53.8249 -55.9751 4.35764 246.996 4.35747 217.443 GPRESSURE: 3506400 154.517 -37.4468 288.707 37.3409 -41.2042 -50.7355 236.584 -20.5938 305.54 PRESSAVG: 3506400 1.67405 40.9481 -60.8583 40.948 -21.3196 -12.9239 -60.8583 -12.9239 8.56595 GPRESSAVG: 3506400 1.07343 39.6627 -59.5763 42.7204 -21.8264 -12.9085 -63.7578 -14.2106 9.61019 TIMING: 3506400 CPU: 11081.2, 0.00317176/step Wall: 11081.2, 0.00317176/step, 1.31593 hours remaining, 238.414062 MB of memory in use. ENERGY: 3506400 3982.6358 20642.2007 14410.7753 253.0148 -203183.4661 2581.8879 0.0000 0.0000 52164.0240 -109148.9277 299.7874 -161312.9517 -108788.8026 300.1154 107.2953 139.6174 761256.0231 -3.6932 -3.7143 PRESSURE: 3506600 -541.862 189.273 88.1751 189.274 214.666 -163.281 88.1749 -163.28 -187.186 GPRESSURE: 3506600 -424.845 169.548 47.4845 185.979 96.8711 -182.149 64.2541 -108.334 -87.6886 PRESSAVG: 3506600 -34.56 28.6487 27.2468 28.6487 11.5894 -17.7092 27.2469 -17.7093 27.4084 GPRESSAVG: 3506600 -34.2753 28.5418 25.7288 27.0691 12.1585 -16.3156 28.5957 -16.2079 26.802 TIMING: 3506600 CPU: 11081.8, 0.003163/step Wall: 11081.8, 0.003163/step, 1.31212 hours remaining, 238.414062 MB of memory in use. ENERGY: 3506600 4008.8652 20593.8904 14341.7454 249.4669 -203252.3917 2717.0041 0.0000 0.0000 52174.2013 -109167.2184 299.8459 -161341.4198 -108808.3304 300.1450 -171.4607 -138.5542 763481.8204 1.4792 1.5617 PRESSURE: 3506800 174.249 179.078 -87.8353 179.077 -156.47 -149.648 -87.8358 -149.648 319.435 GPRESSURE: 3506800 182.88 158.511 -6.70051 99.4921 -89.31 -43.024 34.568 -114.677 311.002 PRESSAVG: 3506800 2.85339 -12.331 66.6456 -12.331 -2.56109 39.8157 66.6456 39.8158 -29.6358 GPRESSAVG: 3506800 1.91818 -10.9345 67.8811 -11.7776 -1.63817 39.0261 66.6408 40.6639 -30.3833 TIMING: 3506800 CPU: 11082.5, 0.00318187/step Wall: 11082.5, 0.00318187/step, 1.31977 hours remaining, 238.414062 MB of memory in use. ENERGY: 3506800 4016.8896 20557.0755 14432.7737 247.3120 -203240.6691 2491.4882 0.0000 0.0000 52290.2236 -109204.9065 300.5126 -161495.1301 -108845.3639 299.9699 112.4049 134.8573 759965.7728 -9.7812 -10.0344 PRESSURE: 3507000 -243.336 42.76 -147.919 42.7601 278.917 95.028 -147.918 95.0271 -109.441 GPRESSURE: 3507000 -190.598 183.704 -143.759 72.4768 263.086 50.7864 -118.724 52.5953 -75.2513 PRESSAVG: 3507000 27.5733 -30.7631 51.8943 -30.763 14.5861 -36.7196 51.8943 -36.7195 -7.9803 GPRESSAVG: 3507000 27.6391 -33.105 50.6111 -30.0984 14.9322 -38.7091 52.6092 -35.8908 -8.65717 TIMING: 3507000 CPU: 11083.1, 0.00317444/step Wall: 11083.1, 0.00317444/step, 1.31651 hours remaining, 238.414062 MB of memory in use. ENERGY: 3507000 3996.9702 20404.3734 14421.0428 270.2928 -203088.4971 2536.2905 0.0000 0.0000 52138.6127 -109320.9147 299.6413 -161459.5275 -108956.0801 300.0760 -24.6198 -0.9210 760872.6165 11.3930 11.3047 PRESSURE: 3507200 -174.346 8.57429 -200.652 8.57486 7.47989 -158.34 -200.653 -158.34 -371.475 GPRESSURE: 3507200 -199.818 13.9218 -135.446 -87.6982 24.8229 -93.4637 -239.918 -190.447 -275.697 PRESSAVG: 3507200 -17.7312 -14.5516 12.5809 -14.5516 18.1376 -28.6577 12.5809 -28.6576 -7.17633 GPRESSAVG: 3507200 -17.1871 -11.743 12.5926 -15.1457 16.7324 -25.7818 12.4874 -30.3677 -6.74825 TIMING: 3507200 CPU: 11083.8, 0.00315848/step Wall: 11083.8, 0.00315848/step, 1.30972 hours remaining, 238.414062 MB of memory in use. ENERGY: 3507200 4032.0422 20557.3767 14378.2021 245.3437 -203191.5205 2560.5232 0.0000 0.0000 52054.5778 -109363.4549 299.1584 -161418.0327 -108999.7100 299.9191 -179.4472 -150.2306 763751.1971 -2.2566 -2.4010 PRESSURE: 3507400 -10.9392 73.4726 37.1132 73.4736 -213.948 -123.624 37.1121 -123.624 -241.958 GPRESSURE: 3507400 -24.063 110.173 36.0132 133.65 -175.362 -63.9022 -7.72537 -75.7205 -171.186 PRESSAVG: 3507400 -63.3271 -32.184 -23.7315 -32.184 50.8888 -16.5824 -23.7315 -16.5824 -0.538543 GPRESSAVG: 3507400 -64.7351 -32.9289 -22.9844 -32.1326 51.5958 -18.3376 -24.6964 -17.4133 -0.285136 TIMING: 3507400 CPU: 11084.4, 0.00317333/step Wall: 11084.4, 0.00317333/step, 1.3157 hours remaining, 238.414062 MB of memory in use. ENERGY: 3507400 3955.0654 20497.0618 14451.4104 251.4771 -203306.1156 2385.9943 0.0000 0.0000 52193.1643 -109571.9423 299.9548 -161765.1066 -109199.6022 299.1706 -155.6150 -123.5369 760681.9721 -4.3256 -4.4748 PRESSURE: 3507600 -12.1471 211.207 114.287 211.208 -26.8953 -22.3754 114.288 -22.3761 7.91087 GPRESSURE: 3507600 74.4583 125.974 62.6533 282.699 -42.4697 -26.3803 181.23 -36.2688 41.5742 PRESSAVG: 3507600 -36.3446 17.9703 -44.3893 17.9703 33.7733 56.8791 -44.3893 56.8791 1.2694 GPRESSAVG: 3507600 -36.3882 17.7204 -44.1586 18.7673 33.9939 58.4788 -44.9792 57.6455 1.33741 TIMING: 3507600 CPU: 11085, 0.00316605/step Wall: 11085, 0.00316605/step, 1.3125 hours remaining, 238.414062 MB of memory in use. ENERGY: 3507600 3975.5238 20450.2138 14430.2049 265.3099 -203421.3579 2588.8385 0.0000 0.0000 52216.6148 -109494.6521 300.0896 -161711.2670 -109119.9194 299.4858 -10.3772 24.5209 761031.6578 -0.4340 -0.3523 PRESSURE: 3507800 -146.571 19.8657 -25.721 19.8658 -169.117 -104.389 -25.721 -104.389 -238.693 GPRESSURE: 3507800 -96.9998 -20.989 2.46276 -124.722 -144.69 -89.8528 -79.3635 -115.872 -236.995 PRESSAVG: 3507800 -23.6349 12.2313 -26.2208 12.2313 30.5567 11.7682 -26.2208 11.7681 0.234853 GPRESSAVG: 3507800 -23.4076 11.2078 -27.6194 11.8673 30.0612 12.507 -26.5396 10.3388 0.636094 TIMING: 3507800 CPU: 11085.6, 0.00313196/step Wall: 11085.6, 0.00313196/step, 1.2982 hours remaining, 238.414062 MB of memory in use. ENERGY: 3507800 4031.8429 20504.9617 14461.6692 251.8485 -202821.9933 2201.8587 0.0000 0.0000 51964.5654 -109405.2469 298.6411 -161369.8124 -109039.3834 299.4937 -184.7937 -159.5617 762296.3242 2.3855 2.4299 PRESSURE: 3508000 224.864 -63.0786 58.1288 -63.0787 215.574 -97.3984 58.1287 -97.3987 52.2534 GPRESSURE: 3508000 202.013 -15.0878 70.4562 2.44395 326.312 -164.358 51.0999 -63.518 39.5759 PRESSAVG: 3508000 19.3613 5.95689 14.2622 5.95689 -21.3389 -18.3098 14.2622 -18.3099 5.48387 GPRESSAVG: 3508000 20.0412 6.03976 14.8584 7.35579 -21.2649 -19.9243 14.3552 -15.532 4.66287 TIMING: 3508000 CPU: 11086.3, 0.00315517/step Wall: 11086.3, 0.00315517/step, 1.30764 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3508000 3943.2610 20486.1571 14466.6123 259.0086 -203875.7352 2954.4418 0.0000 0.0000 52379.5121 -109386.7423 301.0258 -161766.2543 -109022.5301 299.9524 164.2306 189.3003 760181.1360 1.1688 1.1464 PRESSURE: 3508200 -47.9845 50.9732 -16.1873 50.9734 -472.566 -174.948 -16.188 -174.947 -299.57 GPRESSURE: 3508200 -15.8695 152.846 61.6392 63.2513 -397.754 -118.6 -34.7407 -99.7772 -322.05 PRESSAVG: 3508200 20.9294 -7.58779 20.3925 -7.58774 -42.6278 100.571 20.3925 100.571 -0.319335 GPRESSAVG: 3508200 21.0066 -6.90904 20.9628 -7.4303 -42.8149 102.045 20.9007 98.6118 -0.164453 TIMING: 3508200 CPU: 11086.9, 0.00314552/step Wall: 11086.9, 0.00314552/step, 1.30347 hours remaining, 238.414062 MB of memory in use. ENERGY: 3508200 3915.1727 20593.5498 14439.1501 245.0241 -203337.3790 2493.6243 0.0000 0.0000 52206.4233 -109444.4345 300.0310 -161650.8578 -109075.6348 299.8776 -273.3734 -245.2243 762173.7863 -7.3393 -7.3242 LDB: ============= START OF LOAD BALANCING ============== 11099.3 LDB: ============== END OF LOAD BALANCING =============== 11099.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11099.3 LDB: ============= START OF LOAD BALANCING ============== 11099.6 LDB: Largest compute 7024 load 0.032708 is 16.7% of average load 0.196082 LDB: Average compute 0.004349 is 2.2% of average load 0.196082 LDB: TIME 11099.6 LOAD: AVG 0.196082 MAX 0.216153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 11099.6 LOAD: AVG 0.196082 MAX 0.216153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 11099.6 LOAD: AVG 0.196082 MAX 0.216153 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 11099.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11099.6 PRESSURE: 3508400 -312.647 48.6058 -198.718 48.6068 -331.433 415.443 -198.719 415.442 -262.496 GPRESSURE: 3508400 -216.511 92.5125 -269.316 179.966 -371.348 301.227 -102.986 304.747 -246.947 PRESSAVG: 3508400 28.6558 26.5501 -13.1139 26.5501 -21.7852 88.5453 -13.1138 88.5453 10.6492 GPRESSAVG: 3508400 29.0423 26.9138 -14.6329 26.9569 -23.2362 89.0266 -12.7588 87.7214 11.291 TIMING: 3508400 CPU: 11087.6, 0.00322679/step Wall: 11087.6, 0.00322679/step, 1.33697 hours remaining, 238.355469 MB of memory in use. ENERGY: 3508400 3982.5843 20616.2990 14408.7764 240.9306 -203171.1287 2289.5186 0.0000 0.0000 52196.9174 -109436.1025 299.9764 -161633.0199 -109076.2302 299.6593 -302.1922 -278.2689 761591.4510 5.8399 5.6990 PRESSURE: 3508600 141.164 -48.1481 -377.673 -48.1478 381.824 -241.328 -377.672 -241.328 -224.796 GPRESSURE: 3508600 180.714 81.0672 -338.843 -102.587 431.729 -265.877 -236.112 -159.34 -219.302 PRESSAVG: 3508600 -12.9809 13.2566 27.166 13.2567 -14.1296 10.19 27.166 10.19 -26.5509 GPRESSAVG: 3508600 -14.0296 13.4439 29.1395 11.1754 -12.5412 7.48094 27.4467 12.7412 -26.8325 TIMING: 3508600 CPU: 11088.2, 0.00316167/step Wall: 11088.2, 0.00316167/step, 1.30981 hours remaining, 238.355469 MB of memory in use. ENERGY: 3508600 3987.9384 20648.5590 14383.9216 245.1135 -203235.0077 2503.0464 0.0000 0.0000 52047.4655 -109418.9633 299.1175 -161466.4289 -109062.6028 299.2076 99.3972 131.0470 761851.6477 -17.8871 -17.8011 PRESSURE: 3508800 25.6882 -202.299 -42.6867 -202.299 -103.202 -29.113 -42.6864 -29.1129 46.5642 GPRESSURE: 3508800 51.0728 -228.768 -19.1974 -167.328 -104.545 -28.4656 -123.955 -142.855 68.8915 PRESSAVG: 3508800 -17.8828 -50.5059 -3.30008 -50.5059 8.27409 8.98818 -3.30005 8.98817 20.6448 GPRESSAVG: 3508800 -16.2164 -53.3277 -4.15153 -48.2089 6.28769 10.8142 -3.03797 7.75944 20.6534 TIMING: 3508800 CPU: 11088.8, 0.00315438/step Wall: 11088.8, 0.00315438/step, 1.30662 hours remaining, 238.355469 MB of memory in use. ENERGY: 3508800 4003.1832 20586.8291 14496.6945 234.9622 -203426.9246 2541.4730 0.0000 0.0000 52132.2321 -109431.5504 299.6047 -161563.7825 -109071.4081 299.2504 -10.3165 5.1398 761864.5862 3.6787 3.5749 PRESSURE: 3509000 -132.051 174.049 -270.55 174.05 4.14279 128.81 -270.549 128.811 -54.1344 GPRESSURE: 3509000 -78.0379 69.0014 -177.583 239.255 42.3841 151.192 -360.069 159.137 -70.8288 PRESSAVG: 3509000 -57.7806 -19.8993 21.5408 -19.8993 80.413 22.7111 21.5409 22.711 15.6268 GPRESSAVG: 3509000 -59.1782 -16.7093 22.489 -20.422 82.4014 21.7774 21.6104 21.9571 15.2362 TIMING: 3509000 CPU: 11089.4, 0.00315685/step Wall: 11089.4, 0.00315685/step, 1.30746 hours remaining, 238.355469 MB of memory in use. ENERGY: 3509000 3923.3288 20559.8808 14455.9407 253.1639 -203305.5486 2432.0292 0.0000 0.0000 52146.2363 -109534.9689 299.6851 -161681.2052 -109158.8312 299.3475 -60.6809 -35.4942 762237.8665 12.7531 12.8198 PRESSURE: 3509200 -248.767 74.9361 25.2664 74.9366 38.7497 -131.477 25.2664 -131.477 -70.1583 GPRESSURE: 3509200 -170.405 165.241 68.2242 78.0842 92.674 -177.739 -127.015 -104.628 -93.5774 PRESSAVG: 3509200 -23.8214 47.9321 -15.8802 47.9321 -11.6549 14.2402 -15.8802 14.2402 -1.45229 GPRESSAVG: 3509200 -22.8906 47.083 -17.3235 49.2705 -12.4817 16.092 -16.5589 13.6982 -1.23245 TIMING: 3509200 CPU: 11090.1, 0.00316647/step Wall: 11090.1, 0.00316647/step, 1.31127 hours remaining, 238.355469 MB of memory in use. ENERGY: 3509200 3991.0183 20557.8482 14471.1775 246.5877 -203029.3199 2459.4836 0.0000 0.0000 52016.2878 -109286.9168 298.9383 -161303.2046 -108926.3383 299.0064 -93.3920 -57.1030 761751.3302 -12.3095 -12.2016 PRESSURE: 3509400 49.2819 300.779 202.898 300.78 202.323 -37.9591 202.9 -37.9599 30.4856 GPRESSURE: 3509400 84.0711 181.668 164.503 145.955 219.462 35.1826 371.108 -74.7479 67.7554 PRESSAVG: 3509400 -57.6532 7.07153 -36.8997 7.07153 66.824 35.1606 -36.8997 35.1607 7.51366 GPRESSAVG: 3509400 -58.3448 6.01405 -36.9441 5.7228 67.1202 32.9641 -36.3951 35.9361 7.50318 TIMING: 3509400 CPU: 11090.7, 0.00316452/step Wall: 11090.7, 0.00316452/step, 1.31029 hours remaining, 238.355469 MB of memory in use. ENERGY: 3509400 3911.3408 20631.1333 14445.7458 238.3059 -202997.4408 2481.0383 0.0000 0.0000 52048.0091 -109241.8675 299.1206 -161289.8767 -108886.9590 299.6295 94.0300 123.7627 762864.8859 5.5615 5.4262 PRESSURE: 3509600 -0.621209 -99.8741 18.6757 -99.8738 51.9443 -148.21 18.6746 -148.21 351.767 GPRESSURE: 3509600 84.5957 -101.615 -4.85934 -46.1116 135.78 -119.305 124.562 -69.6132 277.734 PRESSAVG: 3509600 -8.92829 23.9824 20.3783 23.9823 57.205 54.802 20.3784 54.802 12.7719 GPRESSAVG: 3509600 -8.02852 23.7777 21.5852 23.4634 58.3485 55.3835 19.9431 56.0011 10.537 TIMING: 3509600 CPU: 11091.3, 0.0031722/step Wall: 11091.3, 0.0031722/step, 1.31329 hours remaining, 238.355469 MB of memory in use. ENERGY: 3509600 3891.7175 20369.4949 14443.1379 235.5022 -203236.8481 2799.0033 0.0000 0.0000 52237.9331 -109260.0593 300.2121 -161497.9924 -108886.2131 299.6643 134.3634 166.0363 760469.4690 20.3496 20.2857 PRESSURE: 3509800 168.853 -12.8067 21.819 -12.8074 65.0849 -43.0929 21.8181 -43.0937 -48.1853 GPRESSURE: 3509800 185.647 -102.223 54.092 -151.509 68.8804 -38.5653 -164.473 55.7569 -0.987448 PRESSAVG: 3509800 45.3451 -6.70602 -2.7699 -6.70603 2.96322 45.765 -2.76992 45.7651 17.6301 GPRESSAVG: 3509800 44.1726 -5.38744 -2.45756 -5.61456 2.23466 46.2421 -4.66492 46.4407 19.3921 TIMING: 3509800 CPU: 11092, 0.00316059/step Wall: 11092, 0.00316059/step, 1.30831 hours remaining, 238.355469 MB of memory in use. ENERGY: 3509800 3993.1619 20641.6548 14479.6308 269.3881 -203318.2133 2527.3251 0.0000 0.0000 52052.9464 -109354.1062 299.1490 -161407.0526 -108999.6915 300.0275 61.9174 84.5135 760961.7770 21.9795 21.9331 PRESSURE: 3510000 -180.012 32.9858 -61.8485 32.9861 -57.7823 8.94919 -61.8489 8.94897 51.6422 GPRESSURE: 3510000 -116.477 -44.2908 -22.451 -148.156 -44.2985 -15.3828 -146.077 33.8515 46.9023 PRESSAVG: 3510000 -15.6846 -5.07756 -39.5015 -5.07767 -18.6614 29.8367 -39.5014 29.8366 -7.88635 GPRESSAVG: 3510000 -14.7699 -6.49495 -39.9128 -5.73372 -19.11 30.3845 -38.9656 26.6459 -8.2146 TIMING: 3510000 CPU: 11092.6, 0.00314975/step Wall: 11092.6, 0.00314975/step, 1.30365 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3510000 3950.9862 20443.4622 14539.1858 252.5719 -203303.0984 2344.1688 0.0000 0.0000 52243.8932 -109528.8303 300.2464 -161772.7235 -109164.4801 299.6698 -62.0507 -37.9578 760566.3722 -14.0775 -14.0315 PRESSURE: 3510200 -12.0233 -39.1553 84.9593 -39.1564 190.288 42.3047 84.9589 42.3031 -178.634 GPRESSURE: 3510200 77.9323 -0.605913 79.2138 -126.896 140.138 46.485 99.1998 -66.9772 -146.274 PRESSAVG: 3510200 21.2645 -27.3063 -1.4983 -27.3063 8.37717 17.2807 -1.49833 17.2806 -13.4267 GPRESSAVG: 3510200 20.8843 -28.3883 -1.53793 -28.6293 7.58287 15.4522 -0.817147 19.5619 -12.2567 TIMING: 3510200 CPU: 11093.2, 0.00313833/step Wall: 11093.2, 0.00313833/step, 1.29874 hours remaining, 238.355469 MB of memory in use. ENERGY: 3510200 3959.0127 20471.4884 14549.7775 243.4880 -203482.6166 2698.0075 0.0000 0.0000 51983.3244 -109577.5182 298.7489 -161560.8426 -109208.9256 299.1660 -0.1230 23.9323 759710.7522 5.4050 5.4035 PRESSURE: 3510400 31.6926 -57.5265 88.1499 -57.5272 0.983372 88.0838 88.1499 88.0841 -20.5346 GPRESSURE: 3510400 1.2269 -70.191 64.7723 -132.662 -2.30467 12.6843 -9.33237 39.1042 79.46 PRESSAVG: 3510400 0.856045 -33.5776 -9.25057 -33.5776 18.4458 -36.7709 -9.2505 -36.7708 18.5549 GPRESSAVG: 3510400 1.16496 -32.9872 -9.1251 -32.8796 18.7795 -36.5206 -11.6279 -35.8691 18.1113 TIMING: 3510400 CPU: 11093.9, 0.0031232/step Wall: 11093.9, 0.0031232/step, 1.29231 hours remaining, 238.355469 MB of memory in use. ENERGY: 3510400 3961.7531 20637.5203 14453.2805 239.2504 -203413.3740 2563.1954 0.0000 0.0000 52048.3758 -109509.9984 299.1227 -161558.3743 -109154.8162 298.9083 4.0471 26.1274 760895.8943 12.6189 12.6853 PRESSURE: 3510600 89.3548 -24.086 92.6874 -24.0858 129.34 -64.8566 92.687 -64.8557 -8.36126 GPRESSURE: 3510600 147.592 54.8545 58.8508 -59.3804 165.286 -112.76 100.751 29.8562 -12.1322 PRESSAVG: 3510600 -24.4184 -25.0707 2.12473 -25.0707 36.9037 -3.49805 2.12471 -3.49798 23.7052 GPRESSAVG: 3510600 -25.6687 -23.9747 0.940495 -25.9669 38.5425 -2.55673 4.14066 -4.67264 23.1232 TIMING: 3510600 CPU: 11094.5, 0.00315785/step Wall: 11094.5, 0.00315785/step, 1.30647 hours remaining, 238.355469 MB of memory in use. ENERGY: 3510600 3935.6063 20633.7364 14467.3750 246.7526 -203589.3559 2718.6891 0.0000 0.0000 52041.2028 -109545.9936 299.0815 -161587.1964 -109182.4620 299.1697 70.1111 100.2487 758284.5588 12.0635 11.9990 PRESSURE: 3510800 -338.992 100.936 -47.8216 100.936 -73.7034 -155.779 -47.8222 -155.778 -527.36 GPRESSURE: 3510800 -248.045 49.8096 -79.7564 -35.4534 -72.8681 -176.554 -6.31946 -48.4582 -497.332 PRESSAVG: 3510800 3.69099 -43.1469 -68.0874 -43.1469 26.3053 -12.6356 -68.0874 -12.6356 -14.3154 GPRESSAVG: 3510800 5.69535 -44.5395 -67.2062 -43.973 24.0172 -11.5635 -67.828 -10.9539 -14.1224 TIMING: 3510800 CPU: 11095.1, 0.0031637/step Wall: 11095.1, 0.0031637/step, 1.30872 hours remaining, 238.355469 MB of memory in use. ENERGY: 3510800 3973.2146 20435.0176 14489.7968 259.1428 -202990.0585 2439.6450 0.0000 0.0000 51749.1684 -109644.0734 297.4032 -161393.2418 -109289.2579 298.7984 -313.3517 -272.7482 761165.4525 5.2270 5.1967 PRESSURE: 3511000 152.985 49.4052 -85.7945 49.4051 -345.775 100.875 -85.7931 100.875 -54.3177 GPRESSURE: 3511000 137.059 112.814 -178.149 -44.8617 -306.041 137.161 55.8836 74.6845 -5.83051 PRESSAVG: 3511000 -51.0324 20.4332 29.495 20.4332 63.0573 -29.6416 29.495 -29.6415 -1.85117 GPRESSAVG: 3511000 -53.539 21.1877 30.1591 24.2539 65.4099 -31.2005 29.6636 -31.6861 -1.70586 TIMING: 3511000 CPU: 11095.8, 0.0031561/step Wall: 11095.8, 0.0031561/step, 1.3054 hours remaining, 238.355469 MB of memory in use. ENERGY: 3511000 3981.4784 20396.6570 14465.0507 225.0143 -203085.0843 2418.9993 0.0000 0.0000 51931.6099 -109666.2746 298.4517 -161597.8845 -109297.8934 299.0070 -82.3693 -58.2710 762440.7772 3.3912 3.3884 PRESSURE: 3511200 -160.34 144.575 168.099 144.575 -203.467 152.039 168.098 152.04 424.744 GPRESSURE: 3511200 -213.693 88.5904 158.551 205.96 -78.3758 131.991 181.869 106.16 440.467 PRESSAVG: 3511200 -8.49918 20.8885 -49.6172 20.8885 28.5736 37.0609 -49.6171 37.061 4.98743 GPRESSAVG: 3511200 -8.345 19.7589 -51.0399 20.1893 28.9473 35.3932 -48.0662 37.2505 4.48512 TIMING: 3511200 CPU: 11096.4, 0.00316014/step Wall: 11096.4, 0.00316014/step, 1.30689 hours remaining, 238.355469 MB of memory in use. ENERGY: 3511200 3955.9918 20339.6784 14426.9544 261.1453 -203416.2684 2513.3084 0.0000 0.0000 52214.2639 -109704.9262 300.0761 -161919.1901 -109344.2704 298.9181 20.3125 49.4659 760966.2972 8.3540 8.3625 PRESSURE: 3511400 99.1738 125.896 64.9479 125.897 -160.292 -337.232 64.9477 -337.231 47.3435 GPRESSURE: 3511400 69.6453 161.364 15.4403 180.161 -38.9911 -327.135 37.7725 -142.815 52.7771 PRESSAVG: 3511400 7.51016 -64.1503 14.6505 -64.1503 4.4917 10.7279 14.6506 10.7279 -11.8707 GPRESSAVG: 3511400 8.50077 -60.6525 14.5235 -66.647 4.32366 12.7574 15.0069 11.4708 -11.9341 TIMING: 3511400 CPU: 11097, 0.00317534/step Wall: 11097, 0.00317534/step, 1.313 hours remaining, 238.355469 MB of memory in use. ENERGY: 3511400 3969.9233 20414.4334 14465.7389 239.1023 -203040.1138 2413.5346 0.0000 0.0000 51928.4171 -109608.9642 298.4333 -161537.3813 -109249.4112 298.6057 -4.5917 27.8104 761635.6910 0.0437 0.2968 PRESSURE: 3511600 126.056 -107.349 116.248 -107.348 -157.758 -86.1113 116.249 -86.1125 125.007 GPRESSURE: 3511600 107.581 -168.809 35.4974 -187.685 -106.065 -136.956 167.937 -71.3683 174.111 PRESSAVG: 3511600 -16.0621 -47.9847 30.1455 -47.9847 -38.8466 -34.3937 30.1456 -34.3937 1.11309 GPRESSAVG: 3511600 -16.2465 -47.9329 31.4227 -48.6133 -38.7223 -34.7456 30.5786 -34.8001 1.44067 TIMING: 3511600 CPU: 11097.7, 0.00318037/step Wall: 11097.7, 0.00318037/step, 1.31491 hours remaining, 238.355469 MB of memory in use. ENERGY: 3511600 4017.4846 20343.6914 14524.1602 243.2044 -203291.2343 2517.8320 0.0000 0.0000 51909.3025 -109735.5591 298.3235 -161644.8616 -109388.2831 298.5103 31.1017 58.5424 762027.3020 -17.9319 -17.8427 PRESSURE: 3511800 -149.413 13.2375 -78.3489 13.2369 -179.278 -175.889 -78.348 -175.889 -418.404 GPRESSURE: 3511800 -176.141 124.601 -1.00135 -6.52688 -141.398 -207.417 -79.7133 -124.339 -340.904 PRESSAVG: 3511800 -16.9612 -15.6722 27.7535 -15.6722 5.10621 -4.3601 27.7535 -4.36011 -0.536339 GPRESSAVG: 3511800 -16.8108 -16.4322 27.7341 -13.9368 4.36305 -5.01205 26.4856 -4.53267 -0.547535 TIMING: 3511800 CPU: 11098.3, 0.00319509/step Wall: 11098.3, 0.0031951/step, 1.32082 hours remaining, 238.355469 MB of memory in use. ENERGY: 3511800 3930.8720 20240.0986 14505.0658 238.1474 -203155.9926 2633.2091 0.0000 0.0000 51654.9131 -109953.6867 296.8615 -161608.5998 -109601.3458 298.3042 -249.0318 -219.4812 763248.8677 -4.1304 -4.3318 PRESSURE: 3512000 -147.593 7.53488 -11.8255 7.5366 147.783 -162.5 -11.8252 -162.5 220.94 GPRESSURE: 3512000 -116.096 -1.17 -12.9645 150.865 118.508 -150.31 -59.9971 -109.072 289.963 PRESSAVG: 3512000 -48.9573 -10.497 2.87776 -10.497 33.6275 -34.1623 2.87776 -34.1622 -25.6166 GPRESSAVG: 3512000 -49.5099 -13.0687 2.80934 -8.73807 32.9338 -32.8516 2.42369 -35.6912 -24.8652 TIMING: 3512000 CPU: 11098.9, 0.00316154/step Wall: 11098.9, 0.00316154/step, 1.30677 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3512000 3929.8994 20377.2716 14426.4864 238.8030 -203339.5940 2803.9273 0.0000 0.0000 51591.7657 -109971.4405 296.4986 -161563.2062 -109620.2886 297.4512 73.7098 97.4581 761171.0454 -13.6488 -13.8138 PRESSURE: 3512200 -196.537 80.8219 247.847 80.8224 -62.1512 90.8028 247.848 90.8035 18.8235 GPRESSURE: 3512200 -127.131 58.8508 265.08 -42.1973 -22.6189 -16.7266 303.948 248.999 -15.3522 PRESSAVG: 3512200 -48.7415 -11.704 -4.77309 -11.704 54.3266 37.8217 -4.77308 37.8217 31.4047 GPRESSAVG: 3512200 -49.2635 -9.17596 -4.95538 -13.5472 55.46 36.1434 -3.89062 41.4667 31.1695 TIMING: 3512200 CPU: 11099.6, 0.00319217/step Wall: 11099.6, 0.00319217/step, 1.31925 hours remaining, 238.355469 MB of memory in use. ENERGY: 3512200 3957.6995 20345.6759 14430.5991 260.8569 -202971.8551 2271.1793 0.0000 0.0000 51930.2587 -109775.5857 298.4439 -161705.8444 -109415.6258 297.9644 -79.9550 -55.0341 761711.7602 12.3299 12.4553 LDB: ============= START OF LOAD BALANCING ============== 11112 LDB: ============== END OF LOAD BALANCING =============== 11112 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11112 LDB: ============= START OF LOAD BALANCING ============== 11112.3 LDB: Largest compute 7024 load 0.031659 is 16.1% of average load 0.196127 LDB: Average compute 0.004375 is 2.2% of average load 0.196127 LDB: TIME 11112.3 LOAD: AVG 0.196127 MAX 0.215045 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 11112.3 LOAD: AVG 0.196127 MAX 0.215045 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 11112.3 LOAD: AVG 0.196127 MAX 0.215045 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 11112.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11112.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 3512400 7.67996 76.916 -25.6689 76.9156 250.508 -100.019 -25.6684 -100.018 -130.838 GPRESSURE: 3512400 93.6661 78.3484 -59.5364 80.447 243.195 -11.2727 -10.8005 -81.3696 -113.239 PRESSAVG: 3512400 -1.22636 55.2348 12.823 55.2348 9.07959 -40.3024 12.823 -40.3024 -0.249684 GPRESSAVG: 3512400 -0.314531 54.609 13.3039 53.6293 8.66337 -38.4237 11.3271 -42.2279 -0.594351 TIMING: 3512400 CPU: 11100.2, 0.00322361/step Wall: 11100.2, 0.00322361/step, 1.33207 hours remaining, 239.382812 MB of memory in use. ENERGY: 3512400 3910.7697 20434.1406 14477.2848 252.0561 -203655.9850 2922.9400 0.0000 0.0000 52011.0516 -109647.7422 298.9082 -161658.7938 -109281.9209 298.4740 42.4501 74.5409 759504.0873 2.5345 2.5848 PRESSURE: 3512600 -18.6871 19.3377 -106.299 19.3383 0.490089 221.654 -106.299 221.655 -340.815 GPRESSURE: 3512600 -135.919 13.7966 -64.4132 -163.983 50.0761 283.757 -84.6453 206.863 -197.49 PRESSAVG: 3512600 -9.59975 36.3406 -40.9522 36.3405 -11.0781 61.7326 -40.9523 61.7326 -0.351226 GPRESSAVG: 3512600 -10.3241 38.098 -40.3317 35.3893 -11.0209 62.7345 -39.7787 61.7185 0.185555 TIMING: 3512600 CPU: 11100.8, 0.00312842/step Wall: 11100.8, 0.00312842/step, 1.29256 hours remaining, 239.382812 MB of memory in use. ENERGY: 3512600 3948.4562 20500.0525 14486.5140 254.4874 -202700.5283 2241.9843 0.0000 0.0000 51729.3098 -109539.7241 297.2891 -161269.0339 -109174.2607 299.0354 -119.6708 -94.4445 762797.1865 -7.0097 -7.0532 PRESSURE: 3512800 -28.2174 203.427 235.898 203.428 -196.652 102.693 235.898 102.694 -332.473 GPRESSURE: 3512800 45.7137 195.234 137.612 89.6233 -169.038 65.9931 154.925 120.732 -337.404 PRESSAVG: 3512800 -23.2211 10.9986 18.2576 10.9985 9.33942 17.4581 18.2576 17.4582 -10.0169 GPRESSAVG: 3512800 -23.2518 9.61857 16.084 11.4195 9.13323 16.3569 19.5256 19.0775 -10.1157 TIMING: 3512800 CPU: 11101.5, 0.00313343/step Wall: 11101.5, 0.00313343/step, 1.29445 hours remaining, 239.382812 MB of memory in use. ENERGY: 3512800 3976.8823 20284.6905 14450.5406 237.3492 -203234.7724 2568.4644 0.0000 0.0000 52172.5616 -109544.2837 299.8364 -161716.8453 -109181.2276 299.1385 -185.7808 -153.5762 762200.4850 -7.9662 -8.0781 PRESSURE: 3513000 238.034 -47.0686 -103.383 -47.0689 -127.836 -46.3561 -103.384 -46.356 369.568 GPRESSURE: 3513000 206.014 10.1588 -117.367 -60.8667 28.5381 9.4298 -143.432 -29.3747 355.419 PRESSAVG: 3513000 -46.2686 13.0953 -35.2996 13.0953 67.5867 7.73842 -35.2996 7.73836 17.2189 GPRESSAVG: 3513000 -47.4307 9.34912 -32.8997 15.8935 68.4692 8.38973 -36.5547 5.57743 17.6262 TIMING: 3513000 CPU: 11102.1, 0.00314287/step Wall: 11102.1, 0.00314287/step, 1.29818 hours remaining, 239.382812 MB of memory in use. ENERGY: 3513000 3934.9780 20381.5543 14521.3215 226.5477 -203978.1935 3113.9117 0.0000 0.0000 52201.7594 -109598.1209 300.0042 -161799.8803 -109229.1497 298.7562 159.9217 196.6571 761751.5136 12.8457 12.8882 PRESSURE: 3513200 -578.923 -30.0255 -10.4218 -30.0256 -214.006 -256.836 -10.4219 -256.836 195.486 GPRESSURE: 3513200 -486.602 -162.875 10.0774 30.6965 -155.109 -225.752 -111.36 -194.775 135.305 PRESSAVG: 3513200 -0.987107 -38.7175 -36.1493 -38.7175 31.089 -17.715 -36.1493 -17.7151 12.5217 GPRESSAVG: 3513200 -0.268468 -35.4448 -37.3355 -39.6591 30.0786 -19.9236 -35.3567 -15.6975 12.7349 TIMING: 3513200 CPU: 11102.7, 0.00314697/step Wall: 11102.7, 0.00314697/step, 1.2997 hours remaining, 239.382812 MB of memory in use. ENERGY: 3513200 4065.1593 20369.1371 14463.6850 233.9296 -203864.3479 2803.4211 0.0000 0.0000 52235.0169 -109693.9988 300.1954 -161929.0157 -109333.1854 299.1838 -199.1478 -168.8018 760907.4969 14.2078 14.1817 PRESSURE: 3513400 256.852 -71.3888 -109.245 -71.3897 305.114 255.298 -109.246 255.297 -413.327 GPRESSURE: 3513400 272.411 -172.147 -156.628 51.8073 331.848 255.146 -162.856 57.4218 -385.85 PRESSAVG: 3513400 -5.54355 -19.8993 -59.5314 -19.8993 47.1012 39.7272 -59.5314 39.7271 -9.71442 GPRESSAVG: 3513400 -6.48336 -23.509 -59.393 -19.1144 48.4416 41.034 -60.9658 38.7103 -10.4779 TIMING: 3513400 CPU: 11103.4, 0.00314737/step Wall: 11103.4, 0.00314737/step, 1.29969 hours remaining, 239.382812 MB of memory in use. ENERGY: 3513400 3956.5472 20274.2207 14515.0750 241.2373 -203572.7665 2750.0998 0.0000 0.0000 51829.3991 -110006.1875 297.8643 -161835.5866 -109644.6182 297.9133 49.5462 72.8028 760439.2761 10.6144 10.4934 PRESSURE: 3513600 226.298 3.4741 -125.769 3.47337 245.111 -47.9802 -125.769 -47.979 204.912 GPRESSURE: 3513600 250.514 30.9525 -155.51 61.974 270.457 24.4052 -112.142 -35.6244 243.65 PRESSAVG: 3513600 -20.0478 -0.136896 -31.1798 -0.136937 3.56793 4.5593 -31.1799 4.55935 10.616 GPRESSAVG: 3513600 -18.644 2.77911 -31.803 -1.85032 2.74928 4.06299 -31.1511 3.82031 10.16 TIMING: 3513600 CPU: 11104, 0.00316701/step Wall: 11104, 0.00316701/step, 1.30762 hours remaining, 239.382812 MB of memory in use. ENERGY: 3513600 3944.0837 20247.4746 14521.2267 252.2677 -203537.1683 2707.2700 0.0000 0.0000 51781.4728 -110083.3727 297.5888 -161864.8455 -109717.5232 297.4972 225.4400 254.8738 759856.1337 -1.9546 -1.9116 PRESSURE: 3513800 205.306 5.16722 130.468 5.16807 -176.598 108.699 130.469 108.7 113.905 GPRESSURE: 3513800 100.738 -50.8405 176.472 52.0409 -59.4703 -24.886 88.5006 221.898 198.43 PRESSAVG: 3513800 -12.7716 -22.469 39.1671 -22.4691 48.8549 30.5478 39.1671 30.5479 19.5319 GPRESSAVG: 3513800 -13.4466 -24.386 39.1661 -20.7725 49.204 29.139 40.2436 32.2855 19.8487 TIMING: 3513800 CPU: 11104.6, 0.00315912/step Wall: 11104.6, 0.00315912/step, 1.30419 hours remaining, 239.382812 MB of memory in use. ENERGY: 3513800 3919.9426 20375.7169 14408.1375 239.7473 -203232.0811 2417.5809 0.0000 0.0000 51938.3086 -109932.6473 298.4902 -161870.9559 -109574.1242 298.1021 47.5376 79.8990 761420.7051 18.5384 18.5353 PRESSURE: 3514000 83.4157 -340.462 -133.666 -340.462 -136.568 -15.9266 -133.667 -15.9265 -172.086 GPRESSURE: 3514000 122.191 -376.057 -189.184 -288.022 -147.527 39.1121 -70.0774 -5.94689 -103.278 PRESSAVG: 3514000 34.2832 -52.9764 -29.2454 -52.9764 -7.50176 15.0305 -29.2454 15.0306 19.4957 GPRESSAVG: 3514000 34.296 -51.6782 -31.0452 -54.4492 -7.50705 16.9218 -27.2418 13.3057 19.7219 TIMING: 3514000 CPU: 11105.2, 0.00313345/step Wall: 11105.2, 0.00313345/step, 1.29342 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3514000 3983.3052 20490.3668 14394.0330 237.0473 -203556.9764 2815.0290 0.0000 0.0000 51706.1986 -109930.9965 297.1562 -161637.1951 -109569.6508 297.7275 -75.0794 -42.8713 762153.8454 15.4257 15.5036 PRESSURE: 3514200 -22.7536 141.971 -191.277 141.971 -115.76 -3.40425 -191.277 -3.40457 -78.1273 GPRESSURE: 3514200 29.3452 205.595 -326.904 55.349 -65.7944 -46.3833 -156.163 104.405 -101.016 PRESSAVG: 3514200 -5.41116 -32.0586 -80.0086 -32.0586 3.89126 -1.98347 -80.0086 -1.9834 -32.1329 GPRESSAVG: 3514200 -5.64744 -32.6146 -78.6541 -30.2384 4.16816 -1.74547 -81.6391 -1.22141 -31.9411 TIMING: 3514200 CPU: 11105.9, 0.0031497/step Wall: 11105.9, 0.0031497/step, 1.29995 hours remaining, 239.382812 MB of memory in use. ENERGY: 3514200 3907.3359 20467.8279 14453.3113 246.8043 -203611.8225 2512.9518 0.0000 0.0000 52051.5066 -109972.0848 299.1407 -162023.5914 -109603.8608 298.4910 -72.2136 -45.8217 761891.9220 -11.2176 -11.1401 PRESSURE: 3514400 -213.068 -112.278 -5.39012 -112.278 -173.133 38.9273 -5.3905 38.9272 -234.537 GPRESSURE: 3514400 -134.711 -49.5374 -1.35706 -139.919 -253.899 37.2442 -6.78688 91.5213 -149.304 PRESSAVG: 3514400 -9.80166 6.52402 -44.1066 6.52401 -7.9096 3.65737 -44.1067 3.65737 9.75029 GPRESSAVG: 3514400 -8.85469 6.44356 -43.9809 6.31917 -9.68242 3.56509 -44.1355 3.70197 10.5966 TIMING: 3514400 CPU: 11106.5, 0.00314345/step Wall: 11106.5, 0.00314345/step, 1.2972 hours remaining, 239.382812 MB of memory in use. ENERGY: 3514400 3933.3361 20535.5478 14403.5949 261.2406 -203047.2048 2222.8636 0.0000 0.0000 51798.6651 -109891.9567 297.6876 -161690.6218 -109524.7986 297.9978 -206.9125 -179.3050 761237.2817 -2.6537 -2.6468 PRESSURE: 3514600 -497.835 -194.452 -122.002 -194.451 -235.164 116.773 -122.001 116.773 -245.903 GPRESSURE: 3514600 -554.243 -114.996 -72.132 -182.531 -98.254 147.958 -160.746 -34.2403 -247.573 PRESSAVG: 3514600 -8.53688 -4.63071 2.54204 -4.6307 14.5524 -36.6213 2.54203 -36.6212 -9.9831 GPRESSAVG: 3514600 -9.29359 -6.29036 2.07952 -4.70214 16.531 -37.2845 1.65558 -37.3153 -11.2555 TIMING: 3514600 CPU: 11107.1, 0.00313326/step Wall: 11107.1, 0.00313326/step, 1.29282 hours remaining, 239.382812 MB of memory in use. ENERGY: 3514600 3981.4374 20329.6173 14502.9337 259.7868 -203151.6280 2445.1584 0.0000 0.0000 51714.8834 -109917.8109 297.2061 -161632.6943 -109562.4854 297.4526 -326.3008 -300.0234 763246.6640 -1.3225 -1.3393 PRESSURE: 3514800 3.54733 -133.779 271.904 -133.778 -121.359 -55.0167 271.905 -55.0164 -232.756 GPRESSURE: 3514800 -26.287 -92.2759 262.901 19.0134 0.0709483 -61.917 274.209 -90.479 -254.999 PRESSAVG: 3514800 -29.159 5.71856 1.06179 5.71849 8.57819 -24.2753 1.0618 -24.2754 -21.4863 GPRESSAVG: 3514800 -29.8082 6.84889 1.28613 3.58031 8.17354 -23.8616 0.61861 -23.9207 -21.2041 TIMING: 3514800 CPU: 11107.8, 0.0031424/step Wall: 11107.8, 0.0031424/step, 1.29642 hours remaining, 239.382812 MB of memory in use. ENERGY: 3514800 4057.7565 20415.3375 14540.4843 252.9800 -203117.7993 2297.1153 0.0000 0.0000 51657.9132 -109896.2125 296.8787 -161554.1257 -109540.2746 297.9377 -116.8560 -93.7385 763013.3576 -14.0224 -14.2796 PRESSURE: 3515000 100.279 18.3597 225.352 18.3591 519.06 275.898 225.352 275.898 202.979 GPRESSURE: 3515000 271.105 101.449 232.99 -8.79566 466.655 247.631 249.622 374.022 164.443 PRESSAVG: 3515000 -37.4939 -35.1386 -29.2488 -35.1387 62.6199 -1.55683 -29.2488 -1.55686 4.2567 GPRESSAVG: 3515000 -38.3592 -34.7082 -29.4488 -32.2794 63.6242 -1.86391 -27.2524 -0.848979 4.22967 TIMING: 3515000 CPU: 11108.4, 0.00316306/step Wall: 11108.4, 0.00316306/step, 1.30476 hours remaining, 239.382812 MB of memory in use. ENERGY: 3515000 3959.9128 20403.0546 14493.6291 244.9320 -204118.6128 3191.9081 0.0000 0.0000 51961.4135 -109863.7627 298.6230 -161825.1762 -109504.7825 298.2823 274.1059 300.7342 761766.8573 9.7942 9.8316 PRESSURE: 3515200 -177.743 26.8185 95.3541 26.8178 -207.251 -101.563 95.3545 -101.562 11.7245 GPRESSURE: 3515200 -89.8762 78.1156 80.379 88.1398 -229.809 -10.9177 -46.1009 -140.628 9.44991 PRESSAVG: 3515200 -23.0358 -75.5863 1.89253 -75.5863 -23.7436 -51.4739 1.89257 -51.474 -8.29446 GPRESSAVG: 3515200 -21.3983 -74.491 2.90058 -76.0452 -24.9256 -49.4665 1.1682 -50.5731 -9.54477 TIMING: 3515200 CPU: 11109, 0.00315327/step Wall: 11109, 0.00315327/step, 1.30055 hours remaining, 239.382812 MB of memory in use. ENERGY: 3515200 4008.9476 20428.6708 14504.6181 237.1454 -203476.4081 2562.6185 0.0000 0.0000 51856.0738 -109878.3339 298.0176 -161734.4076 -109516.1573 298.2230 -124.4231 -103.4118 762379.1466 -18.3580 -18.6229 PRESSURE: 3515400 -279.375 -34.9773 -45.8129 -34.9764 -14.7472 34.7561 -45.813 34.7551 546.581 GPRESSURE: 3515400 -303.045 -120.375 8.91338 97.5034 7.84714 101.637 -161.441 -11.9723 640.09 PRESSAVG: 3515400 -27.3893 -1.75678 -11.1303 -1.75678 7.189 6.16201 -11.1303 6.16203 18.2165 GPRESSAVG: 3515400 -27.9295 -3.98641 -13.3544 -1.91317 7.12042 4.61622 -10.4144 7.2847 18.4698 TIMING: 3515400 CPU: 11109.7, 0.00317572/step Wall: 11109.7, 0.00317572/step, 1.30963 hours remaining, 239.382812 MB of memory in use. ENERGY: 3515400 3916.6057 20462.9849 14496.0653 239.1514 -203257.1263 2456.3072 0.0000 0.0000 51968.6957 -109717.3161 298.6648 -161686.0118 -109350.6573 298.4068 84.1527 114.9640 760733.3994 -0.6613 -0.7797 PRESSURE: 3515600 -148.919 41.7373 2.75114 41.7368 359.395 60.9702 2.75079 60.9707 -24.9678 GPRESSURE: 3515600 -146.829 114.054 -57.9344 -6.3002 384.575 118.971 88.6088 -34.6197 40.7511 PRESSAVG: 3515600 7.73863 -29.7318 -24.0337 -29.7318 35.6495 -21.6053 -24.0337 -21.6053 -19.1443 GPRESSAVG: 3515600 7.17184 -29.0797 -21.8814 -29.3043 35.9486 -22.0625 -25.6017 -23.6826 -18.296 TIMING: 3515600 CPU: 11110.3, 0.00316127/step Wall: 11110.3, 0.00316127/step, 1.3035 hours remaining, 239.382812 MB of memory in use. ENERGY: 3515600 4006.0401 20506.8709 14451.6336 225.6989 -203676.7668 2719.8347 0.0000 0.0000 52046.8838 -109719.8049 299.1142 -161766.6887 -109368.5344 298.8956 61.8361 92.8322 760047.7754 8.0813 8.2748 PRESSURE: 3515800 77.0367 190.604 -61.6888 190.604 -115.425 -1.52503 -61.6894 -1.52457 148.128 GPRESSURE: 3515800 62.8608 158.427 -78.3373 176.844 -1.41557 -2.10414 -166.893 140.992 145.22 PRESSAVG: 3515800 -36.9823 6.66636 -11.8861 6.66637 17.0605 -27.4819 -11.8861 -27.4819 3.13818 GPRESSAVG: 3515800 -36.187 6.67844 -11.9805 7.87831 17.2255 -28.0496 -10.8286 -25.2255 2.04793 TIMING: 3515800 CPU: 11110.9, 0.00315078/step Wall: 11110.9, 0.00315078/step, 1.299 hours remaining, 239.382812 MB of memory in use. ENERGY: 3515800 3943.4559 20295.8335 14410.2108 252.8685 -204039.7305 2982.1157 0.0000 0.0000 52391.0921 -109764.1541 301.0923 -162155.2462 -109406.9963 299.0754 36.5800 68.8883 759827.1780 -5.5945 -5.6378 PRESSURE: 3516000 -237.858 -118.154 -179.548 -118.154 138.282 -244.132 -179.548 -244.133 -311.774 GPRESSURE: 3516000 -182.674 -17.1821 -154.412 -197.204 143.095 -159.899 -236.443 -160.146 -304.97 PRESSAVG: 3516000 29.1775 11.9958 -6.64948 11.9959 -20.0837 10.6406 -6.64949 10.6406 -15.347 GPRESSAVG: 3516000 26.465 12.4151 -6.40646 9.18981 -18.3302 11.9302 -5.22966 9.29831 -13.8943 TIMING: 3516000 CPU: 11111.6, 0.00317773/step Wall: 11111.6, 0.00317773/step, 1.30993 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3516000 3903.0400 20316.4790 14477.0204 250.4801 -203685.5725 2721.8237 0.0000 0.0000 52037.2749 -109979.4544 299.0589 -162016.7294 -109618.2565 298.6948 -137.1168 -114.8497 761845.6197 -2.0844 -1.9198 PRESSURE: 3516200 -247.891 92.3797 68.658 92.3811 164.158 129.431 68.6581 129.429 304.473 GPRESSURE: 3516200 -99.6095 140.853 17.6253 173.167 144.687 81.795 250.886 147.342 231.994 PRESSAVG: 3516200 -32.3185 -8.08351 -18.6447 -8.08355 20.7053 -6.00161 -18.6446 -6.00166 7.27324 GPRESSAVG: 3516200 -28.1563 -7.21189 -18.4281 -6.69067 17.1427 -5.84998 -18.5669 -7.12992 6.87143 TIMING: 3516200 CPU: 11112.2, 0.00315508/step Wall: 11112.2, 0.00315508/step, 1.30042 hours remaining, 239.382812 MB of memory in use. ENERGY: 3516200 3964.7758 20515.9987 14408.3870 245.2735 -203484.2592 2491.7174 0.0000 0.0000 51952.1677 -109905.9391 298.5698 -161858.1068 -109545.0812 298.2048 73.5802 92.3573 760984.9729 -1.4467 -1.3807 LDB: ============= START OF LOAD BALANCING ============== 11124.6 LDB: ============== END OF LOAD BALANCING =============== 11124.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11124.6 LDB: ============= START OF LOAD BALANCING ============== 11124.9 LDB: Largest compute 7068 load 0.031765 is 16.2% of average load 0.196136 LDB: Average compute 0.004379 is 2.2% of average load 0.196136 LDB: TIME 11124.9 LOAD: AVG 0.196136 MAX 0.216445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 11124.9 LOAD: AVG 0.196136 MAX 0.216445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 11124.9 LOAD: AVG 0.196136 MAX 0.216445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: ============== END OF LOAD BALANCING =============== 11124.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11124.9 PRESSURE: 3516400 284.721 -163.384 221.085 -163.383 150.281 13.004 221.087 13.0054 524.746 GPRESSURE: 3516400 96.6451 -168.97 267.539 -231.742 274.331 17.7724 69.8255 51.4925 678.398 PRESSAVG: 3516400 47.1651 7.81864 -46.5096 7.81869 -50.9359 -5.97492 -46.5096 -5.97495 -12.3457 GPRESSAVG: 3516400 44.843 6.64571 -47.5434 9.01227 -48.6784 -5.88373 -47.4788 -4.77977 -12.286 TIMING: 3516400 CPU: 11112.8, 0.00323551/step Wall: 11112.8, 0.00323551/step, 1.33339 hours remaining, 238.480469 MB of memory in use. ENERGY: 3516400 4063.1662 20652.9126 14467.1916 244.3711 -204240.3458 3154.4973 0.0000 0.0000 51750.0778 -109908.1292 297.4084 -161658.2070 -109573.0854 298.4040 319.9158 349.7915 760183.2966 -5.3722 -5.3738 PRESSURE: 3516600 -191.937 1.95428 -264.458 1.95485 -170.704 -117.373 -264.458 -117.372 131.445 GPRESSURE: 3516600 -206.257 3.13833 -237.892 13.947 -136.301 -108.536 -242.56 -217.607 203.395 PRESSAVG: 3516600 -16.8369 -21.6708 -75.5972 -21.6708 30.4156 -34.6001 -75.5972 -34.6001 2.34096 GPRESSAVG: 3516600 -16.7656 -20.5871 -74.0232 -23.0471 29.3012 -34.5895 -76.0262 -35.1975 3.22369 TIMING: 3516600 CPU: 11113.5, 0.00314924/step Wall: 11113.5, 0.00314924/step, 1.29766 hours remaining, 238.683594 MB of memory in use. ENERGY: 3516600 3942.3035 20571.2741 14453.0777 229.8779 -203673.1237 2559.3591 0.0000 0.0000 51903.3892 -110013.8422 298.2895 -161917.2314 -109652.8119 298.4821 -77.0654 -46.3878 759741.2777 5.3066 5.2531 PRESSURE: 3516800 19.7975 -138.09 -176.12 -138.089 208.115 33.4024 -176.122 33.4025 30.1014 GPRESSURE: 3516800 50.2974 -93.6479 -111.429 -170.144 236.276 68.2288 -189.179 -48.1941 63.8546 PRESSAVG: 3516800 -6.97963 30.7889 -51.8387 30.7889 -10.069 -9.47396 -51.8388 -9.4739 1.79894 GPRESSAVG: 3516800 -5.76855 30.3344 -51.9151 32.0546 -10.1987 -9.11798 -52.9306 -10.4616 0.079742 TIMING: 3516800 CPU: 11114.1, 0.00314252/step Wall: 11114.1, 0.00314252/step, 1.29472 hours remaining, 238.683594 MB of memory in use. ENERGY: 3516800 3944.9793 20565.8930 14492.7292 249.8689 -203623.0425 2580.1949 0.0000 0.0000 51819.5556 -109969.8215 297.8077 -161789.3771 -109615.3814 298.4351 86.0045 116.8095 759729.1305 -5.0832 -5.2958 PRESSURE: 3517000 67.2118 -112.909 156.129 -112.909 55.753 86.4866 156.129 86.4872 60.4172 GPRESSURE: 3517000 20.0816 -87.3407 76.8409 -106.079 170.824 22.1851 106.414 122.758 71.386 PRESSAVG: 3517000 27.429 -16.7484 -1.24541 -16.7484 9.55196 -28.4335 -1.24541 -28.4335 5.79366 GPRESSAVG: 3517000 26.9249 -14.9864 -3.09279 -16.2399 10.2043 -29.7635 2.02344 -27.8843 5.96795 TIMING: 3517000 CPU: 11114.7, 0.00315026/step Wall: 11114.7, 0.00315026/step, 1.29773 hours remaining, 238.683594 MB of memory in use. ENERGY: 3517000 3947.1364 20592.5255 14519.2665 242.8774 -204013.3863 2889.6748 0.0000 0.0000 52064.1512 -109757.7543 299.2134 -161821.9055 -109399.3383 299.0104 61.1273 87.4307 758655.9133 14.2582 14.3657 PRESSURE: 3517200 -18.2004 93.1059 -157.249 93.1066 111.856 -301.423 -157.249 -301.424 42.3025 GPRESSURE: 3517200 11.1181 298.802 -137.335 58.1992 110.127 -360.886 -115.673 -377.49 90.957 PRESSAVG: 3517200 28.9062 -4.0504 -24.7852 -4.05045 31.2726 -40.3152 -24.7852 -40.3153 23.9427 GPRESSAVG: 3517200 29.384 -4.10813 -23.8543 -4.4819 30.9248 -38.9075 -27.377 -40.6632 23.7851 TIMING: 3517200 CPU: 11115.4, 0.00316752/step Wall: 11115.4, 0.00316752/step, 1.30467 hours remaining, 238.683594 MB of memory in use. ENERGY: 3517200 3934.6401 20376.6256 14519.9214 255.9422 -203548.3990 2565.8115 0.0000 0.0000 51910.5076 -109984.9506 298.3304 -161895.4582 -109620.3853 298.5882 45.3194 70.7340 759519.7573 28.0405 28.0313 PRESSURE: 3517400 29.6913 -73.6127 126.623 -73.6125 -480.717 107.643 126.623 107.643 84.2471 GPRESSURE: 3517400 86.148 -94.8367 108.482 -16.0146 -508.29 -50.7321 104.67 65.6914 147.169 PRESSAVG: 3517400 13.5072 -61.8099 -98.1822 -61.8099 -17.2549 -29.4199 -98.1822 -29.4198 -4.31565 GPRESSAVG: 3517400 13.217 -63.6323 -96.9966 -63.7563 -17.8248 -30.5285 -96.9046 -29.4365 -3.44251 TIMING: 3517400 CPU: 11116, 0.00315947/step Wall: 11116, 0.00315947/step, 1.30117 hours remaining, 238.683594 MB of memory in use. ENERGY: 3517400 4004.5255 20471.0819 14485.5093 242.1033 -203522.7795 2411.3377 0.0000 0.0000 52133.9109 -109774.3111 299.6143 -161908.2220 -109421.7043 298.3491 -122.2594 -91.6576 760073.3993 -2.6878 -2.6835 PRESSURE: 3517600 -189.186 36.637 -32.9641 36.6373 -121.853 -464.361 -32.9653 -464.36 168.086 GPRESSURE: 3517600 -174.368 120.003 -5.63885 33.9011 -68.9761 -432.501 -21.5973 -368.298 196.773 PRESSAVG: 3517600 1.29053 26.5706 -34.8702 26.5706 -13.5642 19.3364 -34.8702 19.3365 -35.1653 GPRESSAVG: 3517600 0.931386 27.5509 -37.2093 28.8142 -12.1043 19.1935 -34.0553 21.4352 -35.7237 TIMING: 3517600 CPU: 11116.6, 0.00314483/step Wall: 11116.6, 0.00314482/step, 1.29497 hours remaining, 238.683594 MB of memory in use. ENERGY: 3517600 3991.0207 20640.2630 14474.4486 235.7232 -203376.6771 2507.3948 0.0000 0.0000 51831.2321 -109696.5946 297.8748 -161527.8267 -109333.2996 298.7083 -47.6511 -15.5235 761459.7930 -15.8130 -15.6322 PRESSURE: 3517800 -53.1219 81.5381 23.2032 81.538 -218.875 71.71 23.2029 71.7105 -359.791 GPRESSURE: 3517800 15.3686 72.3212 39.1762 79.818 -199.354 87.8592 -6.11566 86.433 -376.399 PRESSAVG: 3517800 -29.0671 9.77516 38.029 9.77522 55.3965 6.49441 38.0289 6.49448 -21.3535 GPRESSAVG: 3517800 -29.9361 8.67474 39.4428 9.05854 55.4516 7.1473 38.3339 4.3904 -20.4848 TIMING: 3517800 CPU: 11117.2, 0.0031491/step Wall: 11117.2, 0.0031491/step, 1.29656 hours remaining, 238.683594 MB of memory in use. ENERGY: 3517800 4057.3483 20450.8271 14511.3217 261.2555 -203225.2747 2391.0949 0.0000 0.0000 52060.4286 -109492.9986 299.1920 -161553.4272 -109131.7692 299.1519 -210.5960 -186.7949 762295.0672 1.6586 1.6769 PRESSURE: 3518000 206.039 112.914 442.745 112.913 -173.375 61.686 442.746 61.6857 11.3863 GPRESSURE: 3518000 228.227 119.609 357.553 40.3705 -59.8303 42.2476 412.72 77.3258 -44.5938 PRESSAVG: 3518000 -17.6594 -2.84042 -0.2436 -2.84047 9.79025 -10.7597 -0.243612 -10.7597 16.4709 GPRESSAVG: 3518000 -16.1023 -2.80432 -0.82133 -0.0645561 8.87766 -10.5107 -0.0105384 -10.4469 16.027 TIMING: 3518000 CPU: 11117.9, 0.00315214/step Wall: 11117.9, 0.00315214/step, 1.29763 hours remaining, 238.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3518000 3992.4578 20546.9867 14458.2743 227.7464 -203785.4513 2762.7924 0.0000 0.0000 52402.6999 -109394.4937 301.1590 -161797.1937 -109029.3229 299.5933 14.6833 41.2678 759996.9030 2.8672 2.9341 PRESSURE: 3518200 -417.664 166.598 -262.601 166.599 14.6442 -67.4736 -262.6 -67.4731 -18.8992 GPRESSURE: 3518200 -312.848 147.876 -181.417 100.122 17.5109 -15.7446 -297.418 -11.7131 -32.2754 PRESSAVG: 3518200 47.2882 14.7767 2.73374 14.7768 -23.0467 -11.0261 2.73382 -11.0261 -2.84427 GPRESSAVG: 3518200 46.6057 16.2004 3.7471 12.7706 -21.6738 -12.1283 2.13472 -10.5319 -3.28813 TIMING: 3518200 CPU: 11118.5, 0.00314771/step Wall: 11118.5, 0.00314771/step, 1.29563 hours remaining, 238.683594 MB of memory in use. ENERGY: 3518200 4043.8972 20492.1921 14390.9506 255.8759 -202823.8637 2140.5349 0.0000 0.0000 51962.5262 -109537.8870 298.6294 -161500.4131 -109181.8534 299.3890 -140.6396 -109.2043 760778.7387 7.1324 7.2146 PRESSURE: 3518400 68.3969 -1.41859 225.094 -1.41862 -433.697 -61.1033 225.094 -61.1031 -31.0797 GPRESSURE: 3518400 87.4803 51.5008 244.21 -30.2845 -403.528 -65.5833 144.582 57.771 -2.15381 PRESSAVG: 3518400 19.8014 -47.3902 66.0728 -47.3903 -58.4232 37.349 66.0728 37.3491 -25.545 GPRESSAVG: 3518400 19.514 -47.7661 66.0351 -47.3257 -59.285 37.9684 66.0379 38.1 -24.4317 TIMING: 3518400 CPU: 11119.1, 0.00316184/step Wall: 11119.1, 0.00316184/step, 1.30127 hours remaining, 238.683594 MB of memory in use. ENERGY: 3518400 3915.9815 20620.5556 14429.8053 258.0605 -203430.3737 2399.0867 0.0000 0.0000 52321.2391 -109485.6450 300.6909 -161806.8841 -109121.4789 299.2371 -132.1267 -106.0673 762004.6392 -21.3889 -21.4009 PRESSURE: 3518600 6.48418 -62.3038 -125.698 -62.3038 -83.2369 -53.9378 -125.698 -53.9385 -348.312 GPRESSURE: 3518600 82.3516 -101.573 -201.607 -62.8208 -36.1474 45.2683 -123.085 -83.9844 -382.668 PRESSAVG: 3518600 0.817977 -28.1376 26.9417 -28.1376 -11.9082 47.8034 26.9417 47.8035 -11.9893 GPRESSAVG: 3518600 0.60885 -29.7474 25.2808 -28.3627 -12.4652 48.6818 26.2714 49.0102 -11.5919 TIMING: 3518600 CPU: 11119.8, 0.00314729/step Wall: 11119.8, 0.00314729/step, 1.29511 hours remaining, 238.683594 MB of memory in use. ENERGY: 3518600 3963.0966 20488.7269 14479.3399 266.8865 -203547.8544 2742.6173 0.0000 0.0000 52384.9946 -109222.1928 301.0573 -161607.1874 -108852.9986 299.1983 -141.6883 -112.1546 761738.9128 -7.6932 -7.8161 PRESSURE: 3518800 48.2937 -26.4525 -137.965 -26.4533 223.083 -218.189 -137.965 -218.189 242.351 GPRESSURE: 3518800 35.6269 -118.378 -56.7912 35.4168 290.941 -193.391 -145.566 -147.666 282.997 PRESSAVG: 3518800 -62.7593 27.6477 -0.57129 27.6477 -4.87103 5.75599 -0.571275 5.75609 12.3488 GPRESSAVG: 3518800 -62.0917 26.4871 0.230536 28.5998 -4.52133 5.37346 0.0512593 3.03896 11.9722 TIMING: 3518800 CPU: 11120.4, 0.00316695/step Wall: 11120.4, 0.00316696/step, 1.30303 hours remaining, 238.683594 MB of memory in use. ENERGY: 3518800 4027.7268 20427.4801 14496.5181 227.8845 -203536.9083 2865.7553 0.0000 0.0000 52271.7814 -109219.7621 300.4066 -161491.5435 -108855.3708 299.7259 171.2427 203.1884 761435.5150 -18.4272 -18.2136 PRESSURE: 3519000 119.151 -175.987 -48.9687 -175.987 291.397 -80.8956 -48.968 -80.8961 -4.37419 GPRESSURE: 3519000 133.289 -82.8146 -90.9891 -242.934 332.305 -74.1986 -55.665 37.358 23.9945 PRESSAVG: 3519000 -5.33785 -50.4378 33.1636 -50.4378 -1.41083 5.83612 33.1637 5.83609 -13.6494 GPRESSAVG: 3519000 -6.32268 -47.7755 32.6199 -52.6712 -0.191851 5.76154 32.4613 7.09519 -13.5724 TIMING: 3519000 CPU: 11121, 0.00318635/step Wall: 11121, 0.00318635/step, 1.31083 hours remaining, 238.683594 MB of memory in use. ENERGY: 3519000 3862.1081 20725.4533 14481.8059 234.0827 -203509.5383 2736.3632 0.0000 0.0000 52188.0382 -109281.6869 299.9254 -161469.7251 -108920.4735 300.2862 135.3914 163.1959 761589.4465 -6.7994 -6.6956 PRESSURE: 3519200 29.6057 -201.183 107.877 -201.183 -342.237 -117.297 107.876 -117.296 -284.234 GPRESSURE: 3519200 -24.7694 -163.358 62.7558 -171.306 -334.012 -114.126 39.5969 -40.5968 -163.995 PRESSAVG: 3519200 -34.8378 -1.85489 64.9472 -1.85489 -5.5136 6.62781 64.9472 6.62787 20.1658 GPRESSAVG: 3519200 -35.6196 -0.106793 65.6401 -0.421029 -5.68948 6.8625 64.3332 5.43302 21.1286 TIMING: 3519200 CPU: 11121.7, 0.00316508/step Wall: 11121.7, 0.00316508/step, 1.3019 hours remaining, 238.683594 MB of memory in use. ENERGY: 3519200 3987.4838 20474.0452 14439.3840 251.7886 -203316.7389 2433.5505 0.0000 0.0000 52174.8070 -109555.6798 299.8493 -161730.4867 -109197.1452 299.3604 -198.9552 -174.2588 762664.1936 -6.7285 -6.7268 PRESSURE: 3519400 -98.4736 93.3863 -21.7226 93.3864 -405.15 242.703 -21.7225 242.703 -195.632 GPRESSURE: 3519400 -35.8332 85.0389 -25.9524 1.13999 -341.15 203.038 124.498 162.456 -235.224 PRESSAVG: 3519400 -8.48125 -24.8896 -6.39807 -24.8896 28.8765 -22.7906 -6.39795 -22.7906 19.0801 GPRESSAVG: 3519400 -6.76892 -27.1775 -6.87499 -24.9041 28.8536 -23.3898 -5.95148 -21.5238 17.6116 TIMING: 3519400 CPU: 11122.3, 0.00313262/step Wall: 11122.3, 0.00313262/step, 1.28838 hours remaining, 238.683594 MB of memory in use. ENERGY: 3519400 4052.6570 20750.6020 14399.0870 232.0610 -203236.6727 2378.8254 0.0000 0.0000 51851.1419 -109572.2983 297.9892 -161423.4403 -109209.4670 298.9863 -233.0855 -204.0691 761450.9387 13.1585 13.2321 PRESSURE: 3519600 39.2965 -142.995 163.477 -142.995 457.472 243.336 163.477 243.336 -170.66 GPRESSURE: 3519600 152.771 -148.205 90.1767 -67.402 450.978 261.731 183.471 237.242 -190.647 PRESSAVG: 3519600 27.1309 -30.0585 38.5302 -30.0585 -29.3191 -0.905366 38.5302 -0.905337 2.42258 GPRESSAVG: 3519600 25.8326 -27.1024 38.435 -29.5277 -27.792 -0.87027 38.2524 -2.30998 2.46854 TIMING: 3519600 CPU: 11122.9, 0.00315313/step Wall: 11122.9, 0.00315313/step, 1.29664 hours remaining, 238.683594 MB of memory in use. ENERGY: 3519600 3948.1856 20393.7570 14439.6364 238.5713 -203223.7065 2611.1829 0.0000 0.0000 51930.3394 -109662.0339 298.4444 -161592.3732 -109286.0207 298.8032 108.7027 137.7008 761059.0236 0.0781 0.1697 PRESSURE: 3519800 -11.1944 112.735 153.751 112.735 385.918 -44.6176 153.75 -44.6181 -54.8274 GPRESSURE: 3519800 -20.9074 110.478 200.26 -16.2634 413.112 -118.663 133.635 -74.3805 -0.89312 PRESSAVG: 3519800 -56.2988 -31.7906 54.0807 -31.7906 40.148 -5.91509 54.0807 -5.91505 9.68408 GPRESSAVG: 3519800 -55.3331 -33.4141 55.7681 -32.8681 38.5 -7.01904 53.0882 -3.6577 10.5171 TIMING: 3519800 CPU: 11123.6, 0.00315771/step Wall: 11123.6, 0.00315771/step, 1.29835 hours remaining, 238.683594 MB of memory in use. ENERGY: 3519800 3968.9985 20597.5774 14434.2990 235.2041 -203278.3418 2644.0175 0.0000 0.0000 51861.6145 -109536.6308 298.0494 -161398.2453 -109171.5753 298.5961 106.6319 130.4373 761315.0213 -2.1556 -2.1053 PRESSURE: 3520000 -66.8442 -15.3491 -192.723 -15.3485 -65.3482 44.7321 -192.723 44.731 -423.967 GPRESSURE: 3520000 -72.3277 30.0618 -204.146 97.9756 -38.4559 106.954 -162.244 29.7966 -349.324 PRESSAVG: 3520000 -22.5942 -11.4337 42.8382 -11.4337 12.8322 45.942 42.8382 45.9421 16.7609 GPRESSAVG: 3520000 -22.6445 -10.3285 43.3921 -13.326 12.3072 47.5884 43.6467 43.119 17.5343 TIMING: 3520000 CPU: 11124.2, 0.00313682/step Wall: 11124.2, 0.00313682/step, 1.28958 hours remaining, 238.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3520000 4004.8722 20508.5281 14486.1783 235.7615 -203686.3086 2722.1744 0.0000 0.0000 52072.4866 -109656.3074 299.2613 -161728.7940 -109291.4626 298.9043 -185.3866 -153.3690 761529.6061 2.3330 2.3990 PRESSURE: 3520200 -426.703 -353.374 -49.3607 -353.374 -40.5636 33.6013 -49.3609 33.6029 75.1751 GPRESSURE: 3520200 -272.166 -222.014 -37.7837 -379.954 -50.0989 15.2496 -196.733 72.6301 32.8427 PRESSAVG: 3520200 -27.5471 -20.1932 -3.7409 -20.1932 50.0439 9.35964 -3.74087 9.35967 5.37694 GPRESSAVG: 3520200 -25.8083 -20.2773 -4.14256 -20.194 50.6492 8.3607 -2.81645 10.9425 3.26484 TIMING: 3520200 CPU: 11124.8, 0.00312769/step Wall: 11124.8, 0.00312769/step, 1.28565 hours remaining, 238.683594 MB of memory in use. ENERGY: 3520200 4009.7197 20334.3149 14476.8752 253.8135 -203308.1270 2658.0219 0.0000 0.0000 51896.6796 -109678.7022 298.2509 -161575.3818 -109325.8201 298.9235 -130.6972 -96.4739 762113.3386 9.2913 9.3686 LDB: ============= START OF LOAD BALANCING ============== 11137.2 LDB: ============== END OF LOAD BALANCING =============== 11137.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11137.2 LDB: ============= START OF LOAD BALANCING ============== 11137.5 LDB: Largest compute 7032 load 0.031607 is 16.1% of average load 0.196054 LDB: Average compute 0.004375 is 2.2% of average load 0.196054 LDB: TIME 11137.5 LOAD: AVG 0.196054 MAX 0.215791 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 11137.5 LOAD: AVG 0.196054 MAX 0.215791 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.703 MB LDB: TIME 11137.5 LOAD: AVG 0.196054 MAX 0.215791 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.703 MB LDB: ============== END OF LOAD BALANCING =============== 11137.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11137.5 PRESSURE: 3520400 -235.448 60.8262 -31.0026 60.8256 49.1476 112.163 -31.0023 112.163 -194.517 GPRESSURE: 3520400 -169.39 -43.058 5.04077 102.182 33.354 48.0999 147.164 14.7498 -167.751 PRESSAVG: 3520400 -44.6977 6.05472 -16.2403 6.05472 52.2244 64.6663 -16.2403 64.6663 -21.4184 GPRESSAVG: 3520400 -46.4529 2.02229 -16.1777 9.8893 53.4382 65.1286 -16.6281 62.934 -21.5835 TIMING: 3520400 CPU: 11125.5, 0.00320172/step Wall: 11125.5, 0.00320172/step, 1.31591 hours remaining, 238.210938 MB of memory in use. ENERGY: 3520400 3998.5937 20388.2271 14505.2593 251.4239 -203351.4857 2484.6287 0.0000 0.0000 52110.8530 -109612.5000 299.4818 -161723.3530 -109251.3138 298.8787 -126.9394 -101.2624 761895.4514 -4.6306 -4.8661 PRESSURE: 3520600 -107.206 35.6924 -181.287 35.6927 208.957 55.1213 -181.287 55.1217 90.5099 GPRESSURE: 3520600 -32.6021 7.26239 -230.464 6.91056 197.933 98.6836 -269.821 -88.6146 119.21 PRESSAVG: 3520600 -27.957 17.324 32.1725 17.3239 -5.87326 35.2727 32.1725 35.2727 -11.9874 GPRESSAVG: 3520600 -26.4969 18.3667 30.9193 13.839 -7.53687 36.1997 33.1364 36.1599 -11.5133 TIMING: 3520600 CPU: 11126.1, 0.00316818/step Wall: 11126.1, 0.00316818/step, 1.30194 hours remaining, 238.210938 MB of memory in use. ENERGY: 3520600 3979.0649 20486.3147 14510.6502 263.1575 -203603.7015 2750.0476 0.0000 0.0000 52007.1716 -109607.2950 298.8859 -161614.4667 -109254.7614 299.3791 64.0868 94.8470 759797.4305 -15.2726 -15.1823 PRESSURE: 3520800 -96.2759 134.801 -10.1289 134.8 -161.758 113.415 -10.1294 113.414 -159.009 GPRESSURE: 3520800 -118.391 226.989 -41.5118 257.256 -98.9512 88.5529 -32.3214 76.2443 -94.972 PRESSAVG: 3520800 -50.1817 7.58597 8.18727 7.58603 9.50772 36.2072 8.18728 36.2073 -2.03291 GPRESSAVG: 3520800 -50.5558 9.21219 8.73129 8.64251 10.4316 34.8883 5.83955 35.2021 -2.24609 TIMING: 3520800 CPU: 11126.7, 0.00315178/step Wall: 11126.7, 0.00315178/step, 1.29503 hours remaining, 238.210938 MB of memory in use. ENERGY: 3520800 3956.4727 20420.7970 14518.0352 244.2551 -203233.6587 2489.0837 0.0000 0.0000 52197.3245 -109407.6905 299.9787 -161605.0150 -109039.7734 299.0536 -139.0145 -104.1049 761310.1985 -14.2356 -14.1234 PRESSURE: 3521000 -589.373 -144.687 140.289 -144.687 -402.785 -296.454 140.288 -296.454 -364.696 GPRESSURE: 3521000 -476.289 -237.748 251.937 -162.479 -340.441 -295.089 69.5152 -190.38 -459.914 PRESSAVG: 3521000 -88.4293 -10.8472 39.7294 -10.8471 34.1594 -15.8022 39.7294 -15.8021 -8.64572 GPRESSAVG: 3521000 -87.7741 -12.0771 39.8659 -10.7407 33.2981 -14.0771 40.1301 -16.0352 -8.46994 TIMING: 3521000 CPU: 11127.3, 0.00315238/step Wall: 11127.3, 0.00315238/step, 1.2951 hours remaining, 238.210938 MB of memory in use. ENERGY: 3521000 4084.5977 20551.5046 14600.5259 255.2934 -203135.8105 2314.0991 0.0000 0.0000 51971.0767 -109358.7130 298.6785 -161329.7898 -108992.9563 299.6404 -452.2848 -425.5481 761802.6663 -20.9719 -20.9820 PRESSURE: 3521200 22.4606 -37.0337 -247.21 -37.0337 231.507 160.459 -247.209 160.458 -100.422 GPRESSURE: 3521200 28.5026 70.5282 -143.814 -26.4096 290.097 80.6229 -248.73 154.577 -76.8467 PRESSAVG: 3521200 -62.7646 33.9767 16.1487 33.9767 39.8991 -48.8712 16.1487 -48.8712 -27.0263 GPRESSAVG: 3521200 -64.5341 33.2948 16.5158 33.0153 40.9999 -51.0303 15.1798 -47.6678 -25.9667 TIMING: 3521200 CPU: 11128, 0.00317582/step Wall: 11128, 0.00317582/step, 1.30456 hours remaining, 238.210938 MB of memory in use. ENERGY: 3521200 3884.1494 20463.5476 14564.3915 270.7227 -203162.0333 2449.8581 0.0000 0.0000 52240.8387 -109288.5252 300.2288 -161529.3639 -108936.8564 299.7057 51.1818 80.5842 759575.7820 -16.6306 -16.5003 PRESSURE: 3521400 336.731 -181.61 117.465 -181.611 -111.096 -168.527 117.465 -168.527 -66.9011 GPRESSURE: 3521400 388.675 -221.007 71.5053 -155.633 -66.8755 -160.701 186.22 -265.769 -81.661 PRESSAVG: 3521400 4.41658 9.14248 -26.9727 9.14246 -5.60807 -45.0331 -26.9727 -45.0331 16.4927 GPRESSAVG: 3521400 4.84786 10.4236 -27.7863 10.7698 -6.23617 -44.0311 -24.0365 -46.8754 16.084 TIMING: 3521400 CPU: 11128.6, 0.00315246/step Wall: 11128.6, 0.00315246/step, 1.29479 hours remaining, 238.210938 MB of memory in use. ENERGY: 3521400 4043.8270 20337.2614 14537.9761 258.6812 -203215.1576 2363.9127 0.0000 0.0000 52204.1232 -109469.3760 300.0178 -161673.4992 -109110.6348 299.3073 52.9112 80.0461 761561.3312 5.1004 4.8986 PRESSURE: 3521600 -92.5041 43.6547 -213.394 43.655 13.6318 121.139 -213.394 121.139 -436.703 GPRESSURE: 3521600 -150.303 -41.6392 -160.763 27.6795 127.43 183.46 -229.088 29.525 -395.455 PRESSAVG: 3521600 -47.2162 -18.6863 13.043 -18.6863 50.6755 -21.6653 13.0429 -21.6653 9.42342 GPRESSAVG: 3521600 -47.3026 -19.2308 14.082 -18.9252 52.2399 -20.7881 12.3287 -20.0638 8.30674 TIMING: 3521600 CPU: 11129.2, 0.0031418/step Wall: 11129.2, 0.0031418/step, 1.29023 hours remaining, 238.210938 MB of memory in use. ENERGY: 3521600 4019.2242 20452.9933 14503.5001 238.6284 -203127.6135 2629.6462 0.0000 0.0000 51755.5427 -109528.0785 297.4398 -161283.6212 -109177.5359 299.3082 -171.8586 -139.4424 761995.9697 4.2943 4.4147 PRESSURE: 3521800 -329.751 147.266 -31.6764 147.266 -266.147 -50.3059 -31.6766 -50.3057 330.722 GPRESSURE: 3521800 -287.353 73.8081 -118.202 80.0374 -237.124 -55.5755 88.8745 -177.399 350.635 PRESSAVG: 3521800 -50.6408 12.217 -20.5072 12.2171 45.386 1.44544 -20.5073 1.4454 -36.5162 GPRESSAVG: 3521800 -49.7004 12.6018 -22.6102 14.0234 44.4797 0.052579 -19.4118 3.53341 -36.5691 TIMING: 3521800 CPU: 11129.9, 0.00313429/step Wall: 11129.9, 0.00313429/step, 1.28697 hours remaining, 238.210938 MB of memory in use. ENERGY: 3521800 3927.8386 20432.8538 14517.3649 230.2559 -203229.6102 2503.4504 0.0000 0.0000 52066.2251 -109551.6216 299.2253 -161617.8466 -109193.0774 298.9402 -88.3917 -57.9475 760784.6914 -13.9237 -13.9299 PRESSURE: 3522000 155.669 88.8881 -49.4804 88.8882 131.684 41.074 -49.481 41.0739 -280.724 GPRESSURE: 3522000 212.511 107.344 -55.9361 158.687 125.09 132.402 -13.1644 20.0107 -260.706 PRESSAVG: 3522000 -66.2266 20.0581 -19.0238 20.0581 52.842 -6.07769 -19.0238 -6.07778 -2.7356 GPRESSAVG: 3522000 -66.9146 20.173 -16.4019 19.6358 52.4445 -6.72559 -22.1641 -6.67315 -1.65375 TIMING: 3522000 CPU: 11130.5, 0.00314038/step Wall: 11130.5, 0.00314038/step, 1.2893 hours remaining, 238.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3522000 3971.2333 20566.1970 14517.5395 244.2451 -203376.1407 2632.7590 0.0000 0.0000 52017.8641 -109426.3029 298.9474 -161444.1669 -109072.2657 299.1832 2.2099 25.6317 760644.7819 -5.3734 -5.3746 PRESSURE: 3522200 -248.459 -6.08575 41.4542 -6.08619 116.906 -218.6 41.4542 -218.601 -316.165 GPRESSURE: 3522200 -226.17 -58.6654 -58.6245 -77.0394 134.039 -204.28 -42.3845 -48.5692 -274.246 PRESSAVG: 3522200 25.9562 47.4393 -1.57949 47.4393 -0.119924 -35.1334 -1.57945 -35.1334 16.2752 GPRESSAVG: 3522200 25.5817 46.5264 -2.37131 47.5999 0.48122 -34.8816 -2.7584 -34.218 16.2765 TIMING: 3522200 CPU: 11131.1, 0.00313782/step Wall: 11131.1, 0.00313782/step, 1.28808 hours remaining, 238.210938 MB of memory in use. ENERGY: 3522200 3938.6217 20310.9802 14432.6886 259.1010 -203512.9365 2589.7692 0.0000 0.0000 52218.5143 -109763.2615 300.1005 -161981.7758 -109400.8062 299.2001 -149.2396 -122.1258 760771.4349 14.0372 14.1132 PRESSURE: 3522400 -69.7945 -24.2466 -5.89279 -24.2465 -133.097 85.4408 -5.89301 85.4403 -299.823 GPRESSURE: 3522400 -21.2732 -5.3996 24.475 -114.359 -76.8126 24.3465 -30.2476 -4.26798 -320.91 PRESSAVG: 3522400 -33.298 10.0667 -0.662719 10.0668 17.9306 1.56895 -0.662714 1.56891 5.64977 GPRESSAVG: 3522400 -34.0854 9.70292 -0.438741 11.473 18.3912 -0.511858 0.840108 0.444318 5.43568 TIMING: 3522400 CPU: 11131.8, 0.00313203/step Wall: 11131.8, 0.00313203/step, 1.28553 hours remaining, 238.210938 MB of memory in use. ENERGY: 3522400 3926.7766 20487.0979 14520.3742 226.1885 -203037.8268 2217.0490 0.0000 0.0000 52060.4471 -109599.8934 299.1921 -161660.3406 -109242.4085 298.6255 -167.5717 -139.6653 761653.6966 -3.2392 -3.4195 PRESSURE: 3522600 -0.0822929 74.9256 -84.5317 74.9249 116.083 153.942 -84.5309 153.942 -84.1659 GPRESSURE: 3522600 1.91905 120.459 -71.6159 83.5658 173.35 131.427 -46.5886 266.952 -55.8982 PRESSAVG: 3522600 -27.9698 18.3333 -63.5595 18.3332 -17.4773 31.0315 -63.5595 31.0316 -4.54483 GPRESSAVG: 3522600 -26.1418 16.9875 -64.1813 17.5565 -18.187 32.8764 -63.2675 32.0316 -5.3348 TIMING: 3522600 CPU: 11132.4, 0.00314326/step Wall: 11132.4, 0.00314326/step, 1.28996 hours remaining, 238.210938 MB of memory in use. ENERGY: 3522600 3986.2701 20472.5530 14495.5693 244.9891 -203233.8330 2431.4813 0.0000 0.0000 52021.7463 -109581.2239 298.9697 -161602.9702 -109222.0405 299.2017 10.6115 39.7904 761832.5007 -16.6640 -16.5545 PRESSURE: 3522800 88.7845 180.424 98.9566 180.424 -250.872 84.95 98.9563 84.9498 54.7248 GPRESSURE: 3522800 84.5482 257.106 106.467 165.47 -155.859 121.119 57.3526 52.3815 50.7149 PRESSAVG: 3522800 -57.196 22.0041 -11.5501 22.0041 -8.57263 48.3134 -11.5501 48.3133 11.0202 GPRESSAVG: 3522800 -57.5214 23.9899 -13.3544 20.102 -8.83042 46.2906 -11.9484 49.1091 11.3271 TIMING: 3522800 CPU: 11133, 0.00314751/step Wall: 11133, 0.00314751/step, 1.29153 hours remaining, 238.210938 MB of memory in use. ENERGY: 3522800 3989.4416 20519.6052 14431.1161 234.8309 -203039.0399 2330.5264 0.0000 0.0000 52207.3474 -109326.1724 300.0363 -161533.5198 -108965.9652 299.5221 -35.7875 -6.8654 762523.9517 -18.2495 -18.3416 PRESSURE: 3523000 -233.338 139.791 30.8712 139.791 56.0905 28.7719 30.8717 28.7713 -124.743 GPRESSURE: 3523000 -101.806 21.3573 -7.33543 5.52303 12.2609 12.8031 -48.745 40.2922 -111.297 PRESSAVG: 3523000 -16.0015 54.8669 -27.6837 54.8669 39.4332 20.7949 -27.6837 20.795 -7.46643 GPRESSAVG: 3523000 -16.8869 54.2811 -25.4802 56.7609 40.041 22.3152 -26.8793 18.8682 -7.24989 TIMING: 3523000 CPU: 11133.6, 0.00318497/step Wall: 11133.6, 0.00318497/step, 1.30672 hours remaining, 238.210938 MB of memory in use. ENERGY: 3523000 4081.1873 20508.0923 14461.9133 220.9867 -203313.6442 2358.5917 0.0000 0.0000 52113.8204 -109569.0525 299.4988 -161682.8729 -109204.0167 299.4336 -100.6635 -66.9474 760649.9508 5.3218 5.3014 PRESSURE: 3523200 -174.267 -238.152 32.496 -238.151 11.3469 -65.4852 32.4968 -65.4857 -545.298 GPRESSURE: 3523200 -147.542 -265.355 0.0773203 -220.569 91.2774 -7.202 42.9557 -148.403 -560.713 PRESSAVG: 3523200 -12.6289 1.53286 -79.2275 1.53284 20.8743 -17.2379 -79.2276 -17.2379 13.3998 GPRESSAVG: 3523200 -12.1336 -0.172649 -79.8884 0.895854 21.1739 -15.7263 -80.7481 -17.8136 13.1962 TIMING: 3523200 CPU: 11134.3, 0.00317275/step Wall: 11134.3, 0.00317275/step, 1.30153 hours remaining, 238.210938 MB of memory in use. ENERGY: 3523200 3974.0533 20343.3306 14513.4891 238.1551 -203565.3471 2737.8491 0.0000 0.0000 52211.1389 -109547.3309 300.0581 -161758.4698 -109182.8228 299.4391 -236.0727 -205.6594 761800.0425 7.2151 7.4122 PRESSURE: 3523400 192.595 -192.734 -210.201 -192.734 432.044 103.285 -210.2 103.285 115.019 GPRESSURE: 3523400 207.916 -310.771 -181.349 -152.547 485.456 93.9155 -108.613 114.623 126.162 PRESSAVG: 3523400 -15.6963 -8.81593 4.27139 -8.81591 -47.3667 40.2637 4.27139 40.2637 10.6289 GPRESSAVG: 3523400 -14.1722 -7.45913 3.66622 -8.42324 -48.5397 38.5952 7.47275 39.6895 10.5156 TIMING: 3523400 CPU: 11134.9, 0.00315703/step Wall: 11134.9, 0.00315703/step, 1.29491 hours remaining, 238.210938 MB of memory in use. ENERGY: 3523400 4005.3966 20493.6233 14371.0067 244.1541 -203355.8886 2663.2201 0.0000 0.0000 52184.6961 -109393.7917 299.9062 -161578.4878 -109035.4331 299.0725 246.5524 273.1782 762378.9530 -17.4780 -17.3988 PRESSURE: 3523600 219.66 121.009 147.078 121.01 -552.025 -107.234 147.077 -107.235 -225.938 GPRESSURE: 3523600 131.743 84.0822 166.198 88.0682 -472.427 -51.1012 86.5299 -217.24 -133.06 PRESSAVG: 3523600 26.157 56.6641 -26.2338 56.6641 -22.543 -12.5686 -26.2338 -12.5685 4.69365 GPRESSAVG: 3523600 23.6519 58.3751 -24.134 54.6942 -22.3919 -10.6848 -30.1211 -12.8965 6.38866 TIMING: 3523600 CPU: 11135.5, 0.00316871/step Wall: 11135.5, 0.00316871/step, 1.29952 hours remaining, 238.210938 MB of memory in use. ENERGY: 3523600 3937.2104 20497.1294 14435.5092 256.0351 -202787.1402 2425.5448 0.0000 0.0000 52073.2435 -109162.4679 299.2656 -161235.7113 -108805.5210 299.5309 -186.1009 -157.9147 762801.9562 2.7692 2.5496 PRESSURE: 3523800 145.334 104.539 106.533 104.539 -39.3257 47.5761 106.532 47.5772 80.1852 GPRESSURE: 3523800 200.873 118.328 50.4413 63.0582 3.19989 -18.3781 146.687 -8.03351 72.6466 PRESSAVG: 3523800 6.93436 53.4741 25.7458 53.4741 18.6998 14.4132 25.7458 14.4132 -2.55695 GPRESSAVG: 3523800 8.65007 53.0078 23.964 53.211 18.765 13.4989 26.9283 14.6742 -4.66015 TIMING: 3523800 CPU: 11136.2, 0.00316501/step Wall: 11136.2, 0.00316501/step, 1.29783 hours remaining, 238.210938 MB of memory in use. ENERGY: 3523800 3939.8914 20520.9290 14396.9202 250.6571 -203508.3707 2814.8259 0.0000 0.0000 52085.7620 -109499.3851 299.3376 -161585.1471 -109135.0214 299.4524 62.0644 92.2398 761484.4050 7.6924 7.5850 PRESSURE: 3524000 138.748 -23.4738 58.0416 -23.4742 62.8822 -181.341 58.0422 -181.341 -139.595 GPRESSURE: 3524000 196.407 -6.45794 88.5476 22.3878 59.8902 -128.151 58.271 -242.202 -123.824 PRESSAVG: 3524000 21.4174 51.326 29.2911 51.326 -60.3196 -10.8744 29.2911 -10.8744 -27.0581 GPRESSAVG: 3524000 20.9894 51.9983 29.9693 53.2954 -60.5155 -10.4153 29.2709 -9.54781 -26.3465 TIMING: 3524000 CPU: 11136.8, 0.00316134/step Wall: 11136.8, 0.00316134/step, 1.29615 hours remaining, 238.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3524000 3981.3887 20572.0015 14428.3234 236.5206 -203281.3825 2694.4298 0.0000 0.0000 51978.2008 -109390.5176 298.7194 -161368.7184 -109028.3856 299.2008 20.6782 44.1576 761725.6985 -21.9868 -21.9575 PRESSURE: 3524200 -188.483 49.5468 1.93691 49.5468 -298.839 22.0651 1.93672 22.0652 -209.92 GPRESSURE: 3524200 -146.787 -2.70602 -55.3562 20.361 -270.312 15.7611 -8.69942 -132.306 -194.221 PRESSAVG: 3524200 15.4011 47.4132 25.3855 47.4132 8.86193 22.8677 25.3855 22.8678 7.17 GPRESSAVG: 3524200 15.5089 46.6069 26.8156 46.8453 8.71501 21.3567 27.1383 21.0384 7.47424 TIMING: 3524200 CPU: 11137.4, 0.00315307/step Wall: 11137.4, 0.00315307/step, 1.29259 hours remaining, 238.210938 MB of memory in use. ENERGY: 3524200 3989.7039 20516.0324 14404.7390 243.2342 -203247.6866 2518.4642 0.0000 0.0000 52207.3472 -109368.1656 300.0363 -161575.5129 -108997.1225 299.1964 -232.4138 -203.7734 761204.0083 10.4777 10.5660 LDB: ============= START OF LOAD BALANCING ============== 11149.8 LDB: ============== END OF LOAD BALANCING =============== 11149.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11149.8 LDB: ============= START OF LOAD BALANCING ============== 11150.2 LDB: Largest compute 7032 load 0.030405 is 15.5% of average load 0.196156 LDB: Average compute 0.004369 is 2.2% of average load 0.196156 LDB: TIME 11150.2 LOAD: AVG 0.196156 MAX 0.216235 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.695 MB LDB: TIME 11150.2 LOAD: AVG 0.196156 MAX 0.216235 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: TIME 11150.2 LOAD: AVG 0.196156 MAX 0.216235 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: ============== END OF LOAD BALANCING =============== 11150.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11150.2 PRESSURE: 3524400 122.833 123.042 -178.454 123.042 -124.64 71.8141 -178.455 71.8135 -153.801 GPRESSURE: 3524400 131.944 100.608 -178.756 104.68 -64.6621 54.7322 -241.669 77.5218 -144.446 PRESSAVG: 3524400 -3.83507 42.8307 -26.4342 42.8306 10.7765 38.4993 -26.4341 38.4993 -0.769856 GPRESSAVG: 3524400 -5.21368 41.944 -27.7765 41.6134 10.2416 37.8301 -28.2987 40.2999 0.934516 TIMING: 3524400 CPU: 11138.1, 0.00320916/step Wall: 11138.1, 0.00320916/step, 1.3154 hours remaining, 237.640625 MB of memory in use. ENERGY: 3524400 3910.8073 20458.7265 14484.6601 241.6335 -203194.1335 2577.4669 0.0000 0.0000 52106.7505 -109414.0887 299.4582 -161520.8392 -109045.8668 299.4104 -51.8692 -25.7212 761132.2497 2.0572 1.9875 PRESSURE: 3524600 288.24 83.6457 50 83.6456 -150.753 57.4408 50.0002 57.4412 43.8091 GPRESSURE: 3524600 307.145 160.038 37.955 94.3288 -136.679 70.6847 -38.2996 248.789 99.3482 PRESSAVG: 3524600 7.70505 63.5841 6.31896 63.5841 -16.8272 -8.14558 6.3189 -8.14545 10.7954 GPRESSAVG: 3524600 9.19369 64.7325 6.8582 64.769 -15.9542 -5.99449 7.5165 -7.95566 8.98333 TIMING: 3524600 CPU: 11138.7, 0.00316273/step Wall: 11138.7, 0.00316273/step, 1.29619 hours remaining, 237.843750 MB of memory in use. ENERGY: 3524600 4057.2565 20541.6472 14378.4211 243.2397 -203359.0152 2835.6067 0.0000 0.0000 52074.2400 -109228.6039 299.2714 -161302.8439 -108866.5580 299.2927 60.4318 89.9380 763573.9770 0.5577 0.7409 PRESSURE: 3524800 -53.6615 220.946 12.3534 220.946 10.6828 29.0398 12.3527 29.0395 150.265 GPRESSURE: 3524800 11.5565 244.353 28.7952 208.525 63.9927 22.8499 -9.63535 -33.7937 113.242 PRESSAVG: 3524800 3.39095 57.9867 -24.9724 57.9867 -25.9641 36.2952 -24.9724 36.2952 21.9161 GPRESSAVG: 3524800 3.54451 57.4265 -24.4002 57.1349 -27.1722 35.8769 -25.0749 35.3605 22.8836 TIMING: 3524800 CPU: 11139.3, 0.00314674/step Wall: 11139.3, 0.00314674/step, 1.28946 hours remaining, 237.843750 MB of memory in use. ENERGY: 3524800 3964.5648 20583.1781 14352.1385 254.2482 -203481.9107 2754.6637 0.0000 0.0000 52207.8344 -109365.2830 300.0391 -161573.1174 -108985.6967 299.9338 35.7622 62.9305 762501.9722 -0.2190 -0.2480 PRESSURE: 3525000 -36.0784 -17.1348 -197.054 -17.1345 173.847 54.8399 -197.054 54.8399 -364.63 GPRESSURE: 3525000 28.8365 87.1038 -152.574 27.3825 184.978 20.325 -104.758 105.372 -349.147 PRESSAVG: 3525000 -22.2635 25.2369 19.1186 25.2369 4.59819 -24.8348 19.1186 -24.8348 -9.14083 GPRESSAVG: 3525000 -21.7359 26.036 17.5913 26.8497 5.72497 -24.4405 19.4476 -25.5175 -10.3356 TIMING: 3525000 CPU: 11140, 0.00314593/step Wall: 11140, 0.00314592/step, 1.28896 hours remaining, 237.843750 MB of memory in use. ENERGY: 3525000 4030.3019 20691.3833 14452.9977 234.7565 -203480.7285 2688.0105 0.0000 0.0000 52115.4151 -109267.8636 299.5080 -161383.2787 -108908.3417 299.7472 -75.6205 -45.1106 762016.0882 -8.9354 -8.7822 PRESSURE: 3525200 342.486 -107.011 163.076 -107.011 77.0023 -173.78 163.076 -173.779 249.183 GPRESSURE: 3525200 305.468 -83.2947 189.504 -139.046 101.089 -26.6932 181.857 -71.651 343.646 PRESSAVG: 3525200 25.7388 9.76002 4.08469 9.76002 23.3991 79.3719 4.0847 79.3719 10.4889 GPRESSAVG: 3525200 23.4111 8.83019 4.77703 9.52921 24.2218 80.3181 4.26897 79.6379 11.6305 TIMING: 3525200 CPU: 11140.6, 0.00316251/step Wall: 11140.6, 0.00316251/step, 1.29558 hours remaining, 237.843750 MB of memory in use. ENERGY: 3525200 3953.7220 20557.4395 14436.9490 252.7317 -203548.5824 2761.1678 0.0000 0.0000 52230.2631 -109356.3093 300.1680 -161586.5725 -108994.4857 299.7760 222.8903 250.0676 760516.5335 19.8756 19.7545 PRESSURE: 3525400 -341.873 -36.0118 154.092 -36.0112 173.678 -116.788 154.093 -116.79 -83.0213 GPRESSURE: 3525400 -341.989 -86.8648 215.399 -69.9241 217.654 -60.2874 59.0513 -122.92 -59.9759 PRESSAVG: 3525400 -7.78549 25.5354 41.7519 25.5354 1.58385 -22.016 41.7519 -22.016 -8.52933 GPRESSAVG: 3525400 -5.58568 25.7425 41.8792 23.0517 0.748647 -23.6844 40.5939 -22.4447 -10.2448 TIMING: 3525400 CPU: 11141.2, 0.00317377/step Wall: 11141.2, 0.00317377/step, 1.30001 hours remaining, 237.843750 MB of memory in use. ENERGY: 3525400 3952.8300 20480.2590 14433.0661 266.6164 -203269.8011 2537.5693 0.0000 0.0000 52053.2077 -109546.2526 299.1505 -161599.4603 -109196.6465 299.7269 -83.7388 -61.4369 762850.2587 -4.9103 -5.0273 PRESSURE: 3525600 -198.152 -139.595 133.971 -139.594 -256.847 178.581 133.971 178.582 79.119 GPRESSURE: 3525600 -93.8108 35.5083 129.385 -36.9163 -264.765 151.189 185.681 24.3218 65.8316 PRESSAVG: 3525600 2.16432 -0.0520528 -0.938189 -0.0520149 -34.4634 -28.2013 -0.938235 -28.2014 -22.744 GPRESSAVG: 3525600 1.84504 1.05426 -1.43302 0.585558 -34.6963 -27.9736 -0.834992 -29.4368 -22.2425 TIMING: 3525600 CPU: 11141.9, 0.00316783/step Wall: 11141.9, 0.00316783/step, 1.2974 hours remaining, 237.843750 MB of memory in use. ENERGY: 3525600 4010.2872 20553.5584 14428.7581 262.3888 -203257.4280 2614.8980 0.0000 0.0000 51828.2996 -109559.2379 297.8580 -161387.5375 -109197.0700 299.3710 -125.2935 -97.5814 761827.1154 -18.3477 -18.3646 PRESSURE: 3525800 -249.338 -276.534 63.7641 -276.534 -222.977 110.304 63.7632 110.303 84.2177 GPRESSURE: 3525800 -138.934 -252.417 16.0605 -232.425 -204.088 115.779 13.9501 34.8968 55.2589 PRESSAVG: 3525800 30.7975 -54.2519 84.8727 -54.2518 -69.7869 10.451 84.8727 10.451 6.29786 GPRESSAVG: 3525800 31.7527 -54.1588 86.1368 -53.561 -69.8493 11.318 85.0518 13.2345 5.11975 TIMING: 3525800 CPU: 11142.5, 0.00317918/step Wall: 11142.5, 0.00317918/step, 1.30188 hours remaining, 237.843750 MB of memory in use. ENERGY: 3525800 3990.1984 20430.9282 14469.6421 256.6297 -203737.5533 2820.7297 0.0000 0.0000 52301.1224 -109468.3028 300.5753 -161769.4252 -109097.5232 299.4941 -129.3660 -95.9211 761012.5179 -10.8972 -10.9923 PRESSURE: 3526000 4.3965 75.0972 125.061 75.0973 293.093 -2.31362 125.061 -2.31337 -57.1678 GPRESSURE: 3526000 83.3858 -43.026 34.2455 74.509 317.64 15.132 65.8463 -72.5744 -74.6908 PRESSAVG: 3526000 6.94792 18.1478 -16.1805 18.1478 12.6622 8.30469 -16.1806 8.30466 -21.5518 GPRESSAVG: 3526000 6.02754 17.1668 -16.7627 17.2146 12.6885 7.0553 -16.2805 6.47542 -20.4976 TIMING: 3526000 CPU: 11143.1, 0.00315949/step Wall: 11143.1, 0.00315949/step, 1.29364 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3526000 3964.9996 20499.8537 14436.4532 241.1503 -203322.7363 2603.7151 0.0000 0.0000 51848.1363 -109728.4281 297.9720 -161576.5644 -109367.9622 299.4505 80.1071 108.7782 760570.8245 -0.6473 -0.5939 PRESSURE: 3526200 -102.766 -47.4426 30.5969 -47.4429 270.677 -208.142 30.5971 -208.143 -76.0535 GPRESSURE: 3526200 -60.3467 -99.9728 114.012 -124.525 303.105 -187.457 59.1685 -162.817 -66.4449 PRESSAVG: 3526200 -28.1588 -9.56423 -2.79801 -9.56416 35.4602 71.6129 -2.79804 71.613 4.7579 GPRESSAVG: 3526200 -27.8237 -8.56899 -2.54187 -9.32331 35.7353 70.8959 -3.21601 72.1555 4.86272 TIMING: 3526200 CPU: 11143.8, 0.00317124/step Wall: 11143.8, 0.00317124/step, 1.29827 hours remaining, 237.843750 MB of memory in use. ENERGY: 3526200 3910.9561 20627.3497 14443.5334 249.5557 -203139.7767 2312.0673 0.0000 0.0000 51958.5510 -109637.7634 298.6065 -161596.3143 -109279.3559 298.5551 30.6192 58.7711 760318.4145 4.0198 4.2581 PRESSURE: 3526400 -116.973 266.284 96.5996 266.283 359.38 -285.22 96.5993 -285.219 222.246 GPRESSURE: 3526400 -56.3411 204.53 201.535 86.0991 417.346 -273.969 85.3275 -165.619 178.656 PRESSAVG: 3526400 -30.8032 -37.2699 11.91 -37.2699 68.9502 -3.78203 11.91 -3.78206 -9.80402 GPRESSAVG: 3526400 -31.8387 -36.9204 12.2671 -38.4311 69.2656 -2.45377 11.0084 -4.50253 -8.75116 TIMING: 3526400 CPU: 11144.4, 0.00318131/step Wall: 11144.4, 0.00318131/step, 1.30222 hours remaining, 237.843750 MB of memory in use. ENERGY: 3526400 3954.5155 20548.3845 14440.4998 231.0254 -203253.5390 2325.0092 0.0000 0.0000 52083.3660 -109670.7386 299.3238 -161754.1046 -109317.2176 299.2148 154.8841 179.8871 759165.2967 9.4477 9.5586 PRESSURE: 3526600 -83.4075 -108.388 -112.953 -108.389 422.624 219.775 -112.954 219.775 194.923 GPRESSURE: 3526600 44.1942 -58.0235 -123.654 -28.616 341.073 225.215 -44.6112 48.3271 227.91 PRESSAVG: 3526600 -20.12 -22.2228 -7.19415 -22.2228 33.182 26.8325 -7.19413 26.8325 -9.33218 GPRESSAVG: 3526600 -19.1481 -22.5453 -7.23202 -20.5402 33.232 25.7262 -6.79058 26.2295 -10.3534 TIMING: 3526600 CPU: 11145, 0.00317765/step Wall: 11145, 0.00317765/step, 1.30054 hours remaining, 237.843750 MB of memory in use. ENERGY: 3526600 3975.5147 20376.8378 14422.1232 252.0261 -203276.7983 2459.8718 0.0000 0.0000 52019.1358 -109771.2890 298.9547 -161790.4248 -109406.3731 298.9907 178.0466 204.3925 759708.7898 1.2433 1.2435 PRESSURE: 3526800 -314.549 31.3239 48.5747 31.3252 4.2714 148.286 48.5752 148.287 -29.4384 GPRESSURE: 3526800 -177.202 -10.9104 39.4349 43.5027 -20.2423 76.6547 -42.2004 74.0072 -51.1091 PRESSAVG: 3526800 -39.1764 -19.0304 2.41599 -19.0304 55.452 -50.2915 2.416 -50.2916 9.46277 GPRESSAVG: 3526800 -39.9966 -20.1898 2.31112 -18.3391 55.1517 -51.824 2.02124 -51.0948 10.4488 TIMING: 3526800 CPU: 11145.7, 0.00317513/step Wall: 11145.7, 0.00317513/step, 1.29933 hours remaining, 237.843750 MB of memory in use. ENERGY: 3526800 3956.8218 20402.7995 14431.7022 235.5149 -203300.4665 2402.1168 0.0000 0.0000 52136.7267 -109734.7847 299.6305 -161871.5114 -109375.4564 298.3183 -113.2386 -82.8510 759956.8114 8.5795 8.5346 PRESSURE: 3527000 184.223 -229.481 -191.676 -229.482 85.5821 78.7436 -191.676 78.7431 112.075 GPRESSURE: 3527000 176.802 -247.767 -242.564 -226.829 160.482 -37.2833 -159.919 20.1167 125.099 PRESSAVG: 3527000 -77.413 -0.956541 26.5014 -0.956598 83.1696 14.7765 26.5013 14.7765 25.0658 GPRESSAVG: 3527000 -77.7228 -2.3303 24.7763 -1.24403 84.7418 17.0164 27.0432 15.817 23.7749 TIMING: 3527000 CPU: 11146.3, 0.00313493/step Wall: 11146.3, 0.00313493/step, 1.28271 hours remaining, 237.843750 MB of memory in use. ENERGY: 3527000 3981.5926 20492.4066 14444.9446 243.3065 -203610.2719 2708.6991 0.0000 0.0000 51910.6843 -109828.6382 298.3314 -161739.3225 -109463.1823 298.9512 127.2933 154.1276 760446.3898 10.2741 10.2646 PRESSURE: 3527200 100.554 143.216 -212.389 143.215 -142.617 -96.3532 -212.39 -96.352 -155.085 GPRESSURE: 3527200 138.347 112.713 -122.827 170.258 -44.7675 -98.2893 -249.654 -204.683 -196.945 PRESSAVG: 3527200 0.570246 -10.6078 23.9983 -10.6079 57.9501 -62.5419 23.9983 -62.5419 4.51323 GPRESSAVG: 3527200 2.47642 -8.46857 26.8683 -10.7978 56.1762 -61.3763 25.7934 -62.4969 4.86297 TIMING: 3527200 CPU: 11146.9, 0.00317495/step Wall: 11146.9, 0.00317495/step, 1.29891 hours remaining, 237.843750 MB of memory in use. ENERGY: 3527200 4011.2989 20395.1241 14470.3528 220.2978 -203414.2458 2598.0460 0.0000 0.0000 51957.8021 -109761.3242 298.6022 -161719.1262 -109397.9810 298.3152 -65.7162 -34.4551 760828.7253 21.0112 21.1718 PRESSURE: 3527400 -538.651 -31.7296 56.4223 -31.7293 265.976 -83.9776 56.4224 -83.9782 -6.15799 GPRESSURE: 3527400 -377.86 24.9568 43.1449 6.02562 203.107 -62.1993 88.3571 2.82722 -1.24614 PRESSAVG: 3527400 -4.14444 -15.4323 30.851 -15.4323 31.147 -18.2804 30.851 -18.2803 -30.7019 GPRESSAVG: 3527400 -4.21862 -15.2292 30.5257 -14.5779 30.9501 -18.8262 28.6069 -17.9197 -30.0567 TIMING: 3527400 CPU: 11147.6, 0.00313668/step Wall: 11147.6, 0.00313668/step, 1.28308 hours remaining, 237.843750 MB of memory in use. ENERGY: 3527400 3977.2576 20393.8854 14487.8144 250.1487 -203572.5103 2458.2751 0.0000 0.0000 52230.5263 -109774.6027 300.1696 -162005.1290 -109403.0660 298.7430 -92.9442 -58.6663 760822.2258 -1.2331 -1.1084 PRESSURE: 3527600 -297.737 51.8212 170.586 51.8218 -411.017 -177.658 170.586 -177.659 85.6526 GPRESSURE: 3527600 -270.189 -43.0283 123.674 143.063 -391.83 -71.2238 133.096 -241.348 133.739 PRESSAVG: 3527600 25.373 -12.965 35.5186 -12.9651 -45.4444 -55.0175 35.5186 -55.0176 -8.89138 GPRESSAVG: 3527600 24.3737 -14.727 35.5753 -15.2443 -45.0186 -55.2801 37.8711 -56.0118 -8.52431 TIMING: 3527600 CPU: 11148.2, 0.00314338/step Wall: 11148.2, 0.00314338/step, 1.28564 hours remaining, 237.843750 MB of memory in use. ENERGY: 3527600 3965.9174 20581.8686 14457.5732 244.7503 -203377.6266 2581.5934 0.0000 0.0000 51905.7903 -109640.1334 298.3033 -161545.9237 -109272.1207 298.6053 -207.7004 -176.0932 760892.6223 -9.6543 -9.7231 PRESSURE: 3527800 -182.286 63.9662 105.732 63.9666 -36.749 -25.8622 105.733 -25.8621 -52.6738 GPRESSURE: 3527800 -116.127 269.091 135.352 -25.0225 6.67543 80.0747 147.725 -6.90358 -60.8181 PRESSAVG: 3527800 -5.03618 25.8785 28.3399 25.8785 61.3108 -12.2529 28.3399 -12.253 -1.57334 GPRESSAVG: 3527800 -3.50446 27.2003 27.3821 26.2717 61.4542 -11.8909 24.7357 -10.6766 -2.93508 TIMING: 3527800 CPU: 11148.8, 0.00315162/step Wall: 11148.8, 0.00315162/step, 1.28884 hours remaining, 237.843750 MB of memory in use. ENERGY: 3527800 4019.4164 20371.4830 14514.4767 236.3257 -203588.6661 2681.7666 0.0000 0.0000 52155.0700 -109610.1278 299.7359 -161765.1978 -109255.0561 299.0233 -90.5695 -56.7566 759727.5071 18.2338 18.3382 PRESSURE: 3528000 -81.3102 123.688 -29.9913 123.688 226.035 -3.90156 -29.9923 -3.9022 -286.944 GPRESSURE: 3528000 -66.3972 38.0388 -61.7175 195.564 228.265 -24.2812 -17.9758 20.5986 -213.297 PRESSAVG: 3528000 -11.7578 21.2291 -23.9155 21.2291 41.384 -8.78187 -23.9155 -8.78182 9.23078 GPRESSAVG: 3528000 -13.4617 19.7909 -25.2369 21.235 41.3437 -9.75069 -24.9897 -10.0337 10.9933 TIMING: 3528000 CPU: 11149.5, 0.00315015/step Wall: 11149.5, 0.00315015/step, 1.28806 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3528000 4028.5221 20526.4085 14487.7723 254.3585 -203220.6863 2386.5154 0.0000 0.0000 52106.3297 -109430.7798 299.4558 -161537.1095 -109065.9528 299.3982 -47.4066 -17.1433 760552.7756 12.9524 12.9584 PRESSURE: 3528200 -210.621 119.229 160.118 119.228 -268.496 107.481 160.119 107.48 -302.717 GPRESSURE: 3528200 -91.2228 170.308 145.882 91.0641 -313.782 131.042 182.336 59.9645 -280.534 PRESSAVG: 3528200 -45.6661 48.9075 45.4687 48.9075 29.1328 42.3575 45.4687 42.3575 20.2178 GPRESSAVG: 3528200 -45.327 50.001 46.6696 49.6398 29.3494 42.7476 48.8459 42.0327 19.3028 TIMING: 3528200 CPU: 11150.1, 0.00311664/step Wall: 11150.1, 0.00311664/step, 1.27419 hours remaining, 237.843750 MB of memory in use. ENERGY: 3528200 4023.2208 20616.6593 14445.5613 269.4160 -203691.0864 2543.9549 0.0000 0.0000 52225.1208 -109567.1532 300.1385 -161792.2740 -109197.6381 299.6909 -260.6113 -228.5130 761553.6947 1.2282 1.1084 LDB: ============= START OF LOAD BALANCING ============== 11162.5 LDB: ============== END OF LOAD BALANCING =============== 11162.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11162.5 LDB: ============= START OF LOAD BALANCING ============== 11162.8 LDB: Largest compute 7032 load 0.031225 is 15.9% of average load 0.196054 LDB: Average compute 0.004392 is 2.2% of average load 0.196054 LDB: TIME 11162.8 LOAD: AVG 0.196054 MAX 0.217286 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.984 MB LDB: TIME 11162.8 LOAD: AVG 0.196054 MAX 0.217286 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: TIME 11162.8 LOAD: AVG 0.196054 MAX 0.217286 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11162.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11162.8 PRESSURE: 3528400 51.6281 46.4533 155.256 46.4528 55.2756 158.507 155.256 158.507 -261.33 GPRESSURE: 3528400 64.298 6.65379 135.274 89.935 25.6281 268.081 145.259 76.6681 -150.311 PRESSAVG: 3528400 -64.5326 32.371 8.58786 32.3711 56.2915 -23.2841 8.58779 -23.2841 10.4715 GPRESSAVG: 3528400 -64.2726 32.4797 8.20551 28.9083 54.2738 -23.8656 7.47544 -23.0733 11.4675 TIMING: 3528400 CPU: 11150.7, 0.00322197/step Wall: 11150.7, 0.00322197/step, 1.31707 hours remaining, 238.867188 MB of memory in use. ENERGY: 3528400 3979.3595 20587.2470 14465.7075 253.2453 -203636.1826 2651.0896 0.0000 0.0000 52277.9210 -109421.6127 300.4419 -161699.5337 -109055.0670 299.3747 -51.4756 -20.1283 761080.6414 0.7435 0.4896 PRESSURE: 3528600 334.09 -343.365 118.528 -343.365 21.1865 24.3818 118.528 24.3829 -222.63 GPRESSURE: 3528600 368.679 -190.729 82.4939 -256.667 41.0755 10.3339 126.351 1.19871 -171.221 PRESSAVG: 3528600 -72.7418 31.8684 12.577 31.8683 44.0979 4.26324 12.577 4.26327 -46.8735 GPRESSAVG: 3528600 -73.3376 31.6444 12.8977 34.7988 44 4.69454 12.9159 4.81176 -46.7687 TIMING: 3528600 CPU: 11151.4, 0.00316106/step Wall: 11151.4, 0.00316106/step, 1.292 hours remaining, 239.070312 MB of memory in use. ENERGY: 3528600 4035.2808 20737.5475 14376.5308 237.2821 -203299.8096 2522.5255 0.0000 0.0000 52077.1994 -109313.4437 299.2884 -161390.6431 -108943.1818 300.0036 44.2154 79.5111 760886.4728 -25.1725 -25.3688 PRESSURE: 3528800 -108.659 -192.557 207.052 -192.556 28.0298 -137.91 207.053 -137.909 -333.947 GPRESSURE: 3528800 -124.674 -139.978 155.517 -118.98 72.0475 -82.1544 108.845 -119.263 -275.587 PRESSAVG: 3528800 -24.4273 -1.84783 -9.46719 -1.84775 62.8034 -12.9118 -9.46716 -12.9118 10.5965 GPRESSAVG: 3528800 -25.4307 -1.98111 -10.8524 -3.52321 63.4182 -12.2499 -9.40007 -13.4961 11.4867 TIMING: 3528800 CPU: 11152, 0.00314264/step Wall: 11152, 0.00314264/step, 1.28429 hours remaining, 239.070312 MB of memory in use. ENERGY: 3528800 3949.7617 20596.1598 14343.0234 253.7752 -203209.1389 2385.8665 0.0000 0.0000 52205.0871 -109475.4652 300.0234 -161680.5523 -109110.2641 299.9165 -138.1920 -109.4045 759485.3875 16.3242 16.4914 PRESSURE: 3529000 -146.178 141.899 -37.2322 141.899 82.9937 148.823 -37.2331 148.823 27.689 GPRESSURE: 3529000 -159.277 132.908 -51.0752 158.238 105.739 111.495 -80.8183 54.6192 73.0406 PRESSAVG: 3529000 -48.4535 51.4672 -5.47291 51.4672 13.4565 18.1911 -5.47299 18.1911 -18.0281 GPRESSAVG: 3529000 -47.0324 51.2321 -3.71857 51.8967 13.023 18.4411 -4.78226 18.1307 -19.2701 TIMING: 3529000 CPU: 11152.6, 0.00313595/step Wall: 11152.6, 0.00313595/step, 1.28138 hours remaining, 239.070312 MB of memory in use. ENERGY: 3529000 3986.0633 20718.7518 14427.1772 250.7727 -203525.1702 2589.4303 0.0000 0.0000 52244.7248 -109308.2502 300.2512 -161552.9750 -108960.1708 299.7771 -11.8318 6.5010 761210.5134 -17.6750 -17.7598 PRESSURE: 3529200 50.0233 40.5497 104.257 40.5492 24.4657 41.0312 104.257 41.0309 285.025 GPRESSURE: 3529200 86.3981 128.493 54.6132 -25.6653 143.163 39.5583 99.4119 93.6545 218.041 PRESSAVG: 3529200 -19.1609 11.5411 58.9267 11.541 15.6891 25.2234 58.9266 25.2234 3.19424 GPRESSAVG: 3529200 -18.9888 13.8247 61.1481 12.291 16.4955 25.9762 56.6388 24.8524 2.75056 TIMING: 3529200 CPU: 11153.2, 0.00313759/step Wall: 11153.2, 0.00313759/step, 1.28188 hours remaining, 239.070312 MB of memory in use. ENERGY: 3529200 3886.9250 20580.9604 14440.4351 258.3714 -203428.6767 2584.5383 0.0000 0.0000 52092.5912 -109584.8555 299.3768 -161677.4466 -109212.0504 299.0870 119.8379 149.2005 761202.4857 -0.0925 0.0858 PRESSURE: 3529400 -159.565 -56.4062 -256.559 -56.4057 6.77157 -11.7246 -256.559 -11.7251 -265.957 GPRESSURE: 3529400 -84.3895 -21.6011 -214.576 -32.5465 -23.8076 -58.6221 -239.531 84.9302 -246.017 PRESSAVG: 3529400 12.3863 -44.8977 7.15466 -44.8977 -24.2195 19.8344 7.15467 19.8343 4.01 GPRESSAVG: 3529400 12.657 -45.3468 4.11784 -44.1643 -25.4984 17.2652 9.49885 20.6196 5.06968 TIMING: 3529400 CPU: 11153.9, 0.00313953/step Wall: 11153.9, 0.00313953/step, 1.2825 hours remaining, 239.070312 MB of memory in use. ENERGY: 3529400 4004.4808 20554.7790 14476.5901 245.8594 -203042.9040 2342.7738 0.0000 0.0000 52052.0160 -109366.4049 299.1437 -161418.4209 -109007.9688 298.9590 -139.5834 -118.0714 763441.0031 -2.6077 -2.5906 PRESSURE: 3529600 -55.3054 -25.193 -42.543 -25.1936 94.1789 172.908 -42.5436 172.907 -53.2446 GPRESSURE: 3529600 -39.3086 -118.536 -86.9959 60.9077 186.797 234.974 -94.2497 171.053 -64.0365 PRESSAVG: 3529600 -41.8831 -16.4497 30.8159 -16.4498 7.28741 30.399 30.8159 30.399 6.44517 GPRESSAVG: 3529600 -42.2369 -18.1411 32.4966 -15.8637 7.94523 32.0087 29.2393 29.9405 6.42328 TIMING: 3529600 CPU: 11154.5, 0.00314864/step Wall: 11154.5, 0.00314864/step, 1.28604 hours remaining, 239.070312 MB of memory in use. ENERGY: 3529600 3994.4968 20494.3071 14344.8848 212.2839 -203093.5623 2494.3583 0.0000 0.0000 52220.5941 -109332.6373 300.1125 -161553.2314 -108970.6962 299.3792 -4.7904 27.8172 762089.9138 -9.3835 -9.2895 PRESSURE: 3529800 -42.449 34.8312 -165.653 34.8315 52.7263 35.6947 -165.653 35.6947 35.8719 GPRESSURE: 3529800 -80.0712 -56.8421 -69.5132 -7.69273 160.903 -57.2649 -247.853 26.5951 49.5428 PRESSAVG: 3529800 -10.9201 -5.34145 13.3699 -5.34148 10.795 32.6287 13.3699 32.6288 -3.50094 GPRESSAVG: 3529800 -11.3801 -3.72827 11.3426 -8.75527 10.9589 33.3181 13.8675 33.4581 -3.05298 TIMING: 3529800 CPU: 11155.1, 0.00314812/step Wall: 11155.1, 0.00314812/step, 1.28566 hours remaining, 239.070312 MB of memory in use. ENERGY: 3529800 3942.4379 20758.8300 14487.6998 234.4289 -203160.5573 2575.2338 0.0000 0.0000 51867.2871 -109294.6399 298.0820 -161161.9269 -108945.9756 299.6855 15.3831 43.4580 760354.0598 -1.2087 -1.1581 PRESSURE: 3530000 -254.821 42.2171 54.1158 42.2175 -6.81272 -25.8149 54.1158 -25.8148 -118.279 GPRESSURE: 3530000 -178.65 55.8114 24.4349 35.6717 -8.87114 -19.9683 57.5892 19.4792 -118.12 PRESSAVG: 3530000 -52.5432 55.6311 17.5086 55.631 54.1463 39.846 17.5086 39.8461 -10.1283 GPRESSAVG: 3530000 -52.5842 53.4289 17.6465 56.2564 54.2621 40.3697 18.9224 37.1486 -9.68209 TIMING: 3530000 CPU: 11155.8, 0.00314999/step Wall: 11155.8, 0.00314999/step, 1.28624 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3530000 3995.1631 20633.4516 14458.1617 255.2936 -202854.7768 2195.7534 0.0000 0.0000 52059.7687 -109257.1846 299.1882 -161316.9533 -108902.7059 299.9929 -126.6375 -101.8803 761961.2901 -2.8417 -2.6681 PRESSURE: 3530200 163.614 -127.416 69.2 -127.416 -51.8145 -119.248 69.2011 -119.248 -76.2527 GPRESSURE: 3530200 182.279 -14.5496 57.0004 -75.5959 -14.5203 -50.1448 21.2719 -9.77168 -66.8492 PRESSAVG: 3530200 -30.57 40.2121 9.44922 40.2121 7.57022 -2.93115 9.44929 -2.93116 -7.60921 GPRESSAVG: 3530200 -29.3654 40.6343 10.9818 39.3714 7.75941 -1.83867 8.56228 -0.0998188 -9.30649 TIMING: 3530200 CPU: 11156.4, 0.00314754/step Wall: 11156.4, 0.00314754/step, 1.28507 hours remaining, 239.070312 MB of memory in use. ENERGY: 3530200 3945.2320 20460.9403 14478.3688 237.9762 -203304.7660 2603.9495 0.0000 0.0000 52192.0923 -109386.2069 299.9487 -161578.2992 -109012.9975 299.6933 11.8491 33.6365 761583.3015 -10.2030 -10.3042 PRESSURE: 3530400 51.2317 -118.205 -51.8978 -118.205 256.463 -181.438 -51.8983 -181.438 53.6168 GPRESSURE: 3530400 30.6377 -160.448 -91.0234 -107.809 254.373 -192.602 -71.7004 -130.518 148.814 PRESSAVG: 3530400 -31.7756 14.0204 -3.61112 14.0204 33.8935 -40.4721 -3.61116 -40.472 -8.77631 GPRESSAVG: 3530400 -32.4273 16.2205 -3.97837 15.1462 32.9349 -41.5152 -5.8293 -41.7701 -7.37075 TIMING: 3530400 CPU: 11157, 0.00315901/step Wall: 11157, 0.00315901/step, 1.28958 hours remaining, 239.070312 MB of memory in use. ENERGY: 3530400 3930.4414 20453.2069 14482.8279 260.0247 -203676.9731 3049.1813 0.0000 0.0000 52059.6752 -109441.6157 299.1877 -161501.2909 -109082.8583 299.0589 120.4373 144.6083 762042.7484 -2.2195 -2.2877 PRESSURE: 3530600 -235.916 172.885 -145.578 172.885 201.678 71.4976 -145.578 71.4973 -155.797 GPRESSURE: 3530600 -85.8025 194.781 -80.3431 72.3231 167.029 50.3187 -200.004 134.271 -175.936 PRESSAVG: 3530600 -36.1888 1.02167 31.9642 1.02173 2.10087 3.54837 31.9642 3.54828 19.4973 GPRESSAVG: 3530600 -34.475 -3.6555 32.979 2.90739 1.42972 3.16408 34.5824 3.2485 19.1811 TIMING: 3530600 CPU: 11157.7, 0.00315976/step Wall: 11157.7, 0.00315976/step, 1.28971 hours remaining, 239.070312 MB of memory in use. ENERGY: 3530600 3896.8765 20474.7596 14406.8835 223.3663 -203205.4119 2547.8223 0.0000 0.0000 52163.9399 -109491.7637 299.7869 -161655.7036 -109129.6401 299.1524 -63.3448 -31.5696 762531.9245 -4.8635 -4.6214 PRESSURE: 3530800 -331.14 108.117 -109.437 108.117 -57.2446 -87.1345 -109.438 -87.1355 -247.079 GPRESSURE: 3530800 -273.119 43.2729 -15.0659 7.43797 -54.426 -180.726 -16.878 -104.99 -234.318 PRESSAVG: 3530800 -35.2711 -9.66146 -39.2624 -9.66147 1.46827 -0.812557 -39.2623 -0.81255 9.59134 GPRESSAVG: 3530800 -37.2809 -7.07856 -39.7577 -11.4501 2.45384 -0.930037 -41.6884 0.10949 10.4299 TIMING: 3530800 CPU: 11158.3, 0.00314503/step Wall: 11158.3, 0.00314503/step, 1.28352 hours remaining, 239.070312 MB of memory in use. ENERGY: 3530800 3925.6215 20423.5986 14407.8888 246.9478 -202992.7370 2169.4697 0.0000 0.0000 52026.5044 -109792.7063 298.9970 -161819.2107 -109430.8703 298.7931 -211.8211 -187.2875 762524.2785 -8.0705 -8.1324 PRESSURE: 3531000 -8.75876 -227.566 63.1787 -227.566 -104.977 -3.95584 63.1793 -3.9562 92.3392 GPRESSURE: 3531000 2.77538 -247.372 -12.1578 -196.075 -74.8795 -5.91821 -79.0856 -47.2901 128.528 PRESSAVG: 3531000 -13.9915 -25.6695 -0.622973 -25.6695 37.6132 19.4742 -0.622953 19.4741 11.8765 GPRESSAVG: 3531000 -14.4076 -27.0332 -0.800536 -23.804 38.861 19.142 0.834007 18.8107 10.7995 TIMING: 3531000 CPU: 11158.9, 0.00314076/step Wall: 11158.9, 0.00314076/step, 1.2816 hours remaining, 239.070312 MB of memory in use. ENERGY: 3531000 4012.3166 20524.7703 14560.1602 224.5754 -203679.5452 2590.3178 0.0000 0.0000 51980.2050 -109787.1999 298.7310 -161767.4049 -109426.6578 298.4540 -7.1322 18.8081 762411.5945 11.8327 11.7510 PRESSURE: 3531200 -109.361 109.422 -318.563 109.422 -157.782 0.0513447 -318.563 0.0515532 -279.248 GPRESSURE: 3531200 -22.141 -30.0662 -132.269 82.8321 -66.1547 38.1018 -226.651 73.4967 -370.895 PRESSAVG: 3531200 -58.4322 -20.8784 -4.52908 -20.8784 39.4726 -48.396 -4.52907 -48.396 -6.08537 GPRESSAVG: 3531200 -56.4679 -21.3025 -2.79928 -19.5071 37.9239 -48.0839 -3.32033 -47.2914 -6.31042 TIMING: 3531200 CPU: 11159.5, 0.0031529/step Wall: 11159.5, 0.0031529/step, 1.28638 hours remaining, 239.070312 MB of memory in use. ENERGY: 3531200 4043.4271 20567.2835 14400.2617 261.4819 -203304.6934 2321.2104 0.0000 0.0000 51994.9015 -109716.1273 298.8154 -161711.0287 -109357.4926 298.8394 -182.1306 -153.0635 760319.1511 -8.3483 -8.2848 PRESSURE: 3531400 -229.634 -185.816 -151.094 -185.816 40.5685 -86.7256 -151.094 -86.7262 -371.133 GPRESSURE: 3531400 -198.831 -103.835 -104.296 -172.835 89.827 -45.8295 -215.617 -159.561 -351.873 PRESSAVG: 3531400 -70.7814 -12.0847 30.8677 -12.0847 55.46 -10.0846 30.8677 -10.0847 -30.0544 GPRESSAVG: 3531400 -72.5883 -10.1541 28.5634 -16.3786 56.1635 -8.98116 28.5538 -10.5085 -29.0165 TIMING: 3531400 CPU: 11160.2, 0.0031666/step Wall: 11160.2, 0.0031666/step, 1.2918 hours remaining, 239.070312 MB of memory in use. ENERGY: 3531400 3946.7818 20586.1793 14418.8403 259.8639 -203286.6497 2467.0728 0.0000 0.0000 51975.6312 -109632.2804 298.7047 -161607.9117 -109265.6193 299.4014 -186.7328 -153.6254 762882.1272 -15.1252 -15.1471 PRESSURE: 3531600 9.45494 -184.742 -305.358 -184.741 50.4522 40.6816 -305.358 40.681 468.093 GPRESSURE: 3531600 19.2337 -194.571 -287.491 -83.7324 158.419 -94.26 -337.575 -69.2774 417.827 PRESSAVG: 3531600 0.647914 -26.2053 -7.34718 -26.2052 30.5168 53.1361 -7.34721 53.1361 15.4745 GPRESSAVG: 3531600 1.23786 -26.6322 -7.21266 -25.8674 29.9254 51.5341 -4.75748 51.9312 15.5001 TIMING: 3531600 CPU: 11160.8, 0.00315744/step Wall: 11160.8, 0.00315744/step, 1.28788 hours remaining, 239.070312 MB of memory in use. ENERGY: 3531600 3962.9000 20437.6537 14414.5637 238.0485 -203571.6190 2636.9234 0.0000 0.0000 52161.8438 -109719.6858 299.7748 -161881.5296 -109353.4829 299.2879 176.0001 198.4931 760508.9892 15.5464 15.5544 PRESSURE: 3531800 163.002 269.035 37.2425 269.034 53.6072 -141.476 37.2424 -141.476 647.613 GPRESSURE: 3531800 146.555 152.738 -0.617946 223.164 154.35 -134.07 54.3413 -120.634 655.769 PRESSAVG: 3531800 8.6618 -40.4352 39.4638 -40.4352 46.6501 -1.82023 39.4638 -1.82022 14.2873 GPRESSAVG: 3531800 8.42647 -41.4625 40.3583 -40.4662 47.5443 -2.30289 38.5651 -0.462 13.5451 TIMING: 3531800 CPU: 11161.4, 0.00314475/step Wall: 11161.4, 0.00314475/step, 1.28253 hours remaining, 239.070312 MB of memory in use. ENERGY: 3531800 3987.7190 20530.6359 14455.6577 239.1003 -203909.8351 2908.6113 0.0000 0.0000 52166.5685 -109621.5423 299.8020 -161788.1108 -109265.7987 299.1711 288.0739 318.8911 760190.4610 23.1998 23.1720 PRESSURE: 3532000 43.9442 -26.7107 16.9134 -26.7118 184.403 -172.26 16.9129 -172.259 370.58 GPRESSURE: 3532000 -0.924924 5.7593 12.2494 -66.2959 237.194 -121.874 50.0577 -135.888 439.425 PRESSAVG: 3532000 29.6834 13.0729 32.2464 13.0728 9.31772 -21.132 32.2463 -21.132 44.8136 GPRESSAVG: 3532000 30.5457 16.9887 31.1091 13.3881 8.10684 -19.7179 33.109 -19.5878 45.6687 TIMING: 3532000 CPU: 11162.1, 0.00314884/step Wall: 11162.1, 0.00314884/step, 1.28403 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3532000 3919.5965 20638.3522 14397.5513 235.0203 -203826.3111 2551.2186 0.0000 0.0000 52265.3663 -109819.2060 300.3698 -162084.5722 -109453.2531 298.7998 199.6426 225.2311 760513.5106 27.9383 28.1071 PRESSURE: 3532200 493.113 -82.1959 24.8547 -82.1958 -64.8145 -1.35397 24.855 -1.35507 21.7043 GPRESSURE: 3532200 544.887 -109.064 20.3572 -43.1739 -38.4235 37.6572 -34.2253 -61.3714 42.8086 PRESSAVG: 3532200 25.7658 65.3932 22.5611 65.3932 2.07381 -21.8053 22.5611 -21.8053 -14.5523 GPRESSAVG: 3532200 25.1767 61.9129 23.4155 65.7211 3.13876 -20.1189 21.8559 -25.4093 -14.7506 TIMING: 3532200 CPU: 11162.7, 0.00316362/step Wall: 11162.7, 0.00316362/step, 1.28988 hours remaining, 239.070312 MB of memory in use. ENERGY: 3532200 3955.1308 20468.0694 14480.0171 247.4282 -203624.0546 2620.5963 0.0000 0.0000 51977.7771 -109875.0358 298.7170 -161852.8129 -109507.1921 298.7030 150.0010 183.0907 761441.6038 4.4291 4.5216 LDB: ============= START OF LOAD BALANCING ============== 11175.1 LDB: ============== END OF LOAD BALANCING =============== 11175.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11175.1 LDB: ============= START OF LOAD BALANCING ============== 11175.4 LDB: Largest compute 7078 load 0.031376 is 16.0% of average load 0.195908 LDB: Average compute 0.004417 is 2.3% of average load 0.195908 LDB: TIME 11175.4 LOAD: AVG 0.195908 MAX 0.216699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 11175.4 LOAD: AVG 0.195908 MAX 0.216699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.449 MB LDB: TIME 11175.4 LOAD: AVG 0.195908 MAX 0.216699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.449 MB LDB: ============== END OF LOAD BALANCING =============== 11175.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11175.4 PRESSURE: 3532400 -272.608 215.27 18.9014 215.27 92.292 -141.241 18.9015 -141.242 -184.691 GPRESSURE: 3532400 -238.923 270.158 27.6823 221.525 123.218 -185.153 64.1822 -162.822 -177.458 PRESSAVG: 3532400 -18.0974 -34.7785 -2.32359 -34.7785 57.0319 -47.6975 -2.32351 -47.6974 -3.54412 GPRESSAVG: 3532400 -17.6459 -35.3257 -2.5046 -34.9491 55.6964 -48.8716 -2.28903 -46.5331 -3.20233 TIMING: 3532400 CPU: 11163.4, 0.00326538/step Wall: 11163.4, 0.00326538/step, 1.33119 hours remaining, 238.921875 MB of memory in use. ENERGY: 3532400 4037.1227 20525.8970 14411.1846 255.4227 -203094.0123 2344.7794 0.0000 0.0000 51778.1623 -109741.4437 297.5698 -161519.6060 -109383.1047 298.4888 -121.6691 -97.7211 763281.3781 11.7968 11.6161 PRESSURE: 3532600 379.975 -12.6685 -102.76 -12.668 -224.234 -14.0911 -102.76 -14.0922 144.825 GPRESSURE: 3532600 396.392 27.7055 -95.6154 23.5203 -169.981 -23.1606 -21.4462 95.138 169.805 PRESSAVG: 3532600 -5.4623 38.341 -47.3931 38.341 28.9462 12.7863 -47.3932 12.7863 -1.24571 GPRESSAVG: 3532600 -7.09962 39.3465 -48.4911 39.7312 30.1818 11.8007 -47.4981 12.7726 -0.814259 TIMING: 3532600 CPU: 11164, 0.00317123/step Wall: 11164, 0.00317123/step, 1.29263 hours remaining, 239.125000 MB of memory in use. ENERGY: 3532600 3979.1964 20655.8724 14455.7810 249.0968 -203802.5058 2629.4492 0.0000 0.0000 52019.1693 -109813.9407 298.9549 -161833.1100 -109456.8994 298.9567 100.1887 132.0721 760236.1944 7.4127 7.4226 PRESSURE: 3532800 335.443 88.6339 -76.9866 88.6337 -254.156 5.799 -76.9877 5.79889 253.876 GPRESSURE: 3532800 331.785 136.122 -33.1302 108.976 -184.577 53.4055 30.8185 -27.9995 287.778 PRESSAVG: 3532800 -25.7015 -55.3359 52.0119 -55.3359 -45.2702 -1.15316 52.012 -1.15317 -1.37875 GPRESSAVG: 3532800 -23.7633 -55.8156 52.9316 -55.3796 -45.1597 -0.4048 54.3812 -0.26851 -3.34746 TIMING: 3532800 CPU: 11164.6, 0.00316137/step Wall: 11164.6, 0.00316137/step, 1.28843 hours remaining, 239.125000 MB of memory in use. ENERGY: 3532800 3952.8217 20677.4173 14470.5628 243.6752 -203329.6091 2472.2169 0.0000 0.0000 51883.8865 -109629.0287 298.1774 -161512.9152 -109267.3569 298.8942 111.7211 144.9951 761073.6415 -24.1168 -24.0901 PRESSURE: 3533000 -112.248 -339.366 138.4 -339.367 52.5701 -135.864 138.4 -135.864 233.55 GPRESSURE: 3533000 -106.807 -273.672 104.734 -339.513 31.4805 -162.737 151.533 -144.752 315.129 PRESSAVG: 3533000 9.62219 3.13055 58.5051 3.13048 13.8686 28.9918 58.5051 28.9918 -11.7164 GPRESSAVG: 3533000 8.50498 5.23865 57.4693 2.15935 14.4054 28.0853 55.5795 28.1637 -11.0799 TIMING: 3533000 CPU: 11165.3, 0.00315847/step Wall: 11165.3, 0.00315847/step, 1.28707 hours remaining, 239.125000 MB of memory in use. ENERGY: 3533000 3914.1125 20409.7655 14523.3350 241.8791 -203480.1126 2698.5042 0.0000 0.0000 52017.6808 -109674.8356 298.9463 -161692.5164 -109317.9239 298.9531 57.9573 79.9341 761473.4525 3.9248 3.9435 PRESSURE: 3533200 116.431 -82.9072 -79.8568 -82.9073 61.5621 86.3515 -79.856 86.352 222.691 GPRESSURE: 3533200 191.388 -133.057 43.2873 -15.8259 88.62 36.7728 -46.3117 124.002 193.344 PRESSAVG: 3533200 11.1654 -46.519 2.58365 -46.5191 6.55696 24.4135 2.58359 24.4135 -3.8631 GPRESSAVG: 3533200 11.5939 -48.6837 4.81433 -46.5947 6.34717 24.1489 3.10131 25.0726 -3.90564 TIMING: 3533200 CPU: 11165.9, 0.00314054/step Wall: 11165.9, 0.00314054/step, 1.27959 hours remaining, 239.125000 MB of memory in use. ENERGY: 3533200 3924.9076 20529.8055 14405.6591 237.4759 -203522.0756 2746.0316 0.0000 0.0000 52005.9864 -109672.2093 298.8791 -161678.1958 -109311.4998 298.5056 133.5613 157.7841 760917.4749 4.6198 4.6785 PRESSURE: 3533400 235.33 -65.97 -35.6043 -65.9697 97.3854 42.6124 -35.6039 42.6131 312.734 GPRESSURE: 3533400 260.817 -30.9938 -64.0105 -52.913 138.869 24.6049 -132.029 123.009 341.184 PRESSAVG: 3533400 -31.2267 -13.7604 -12.2151 -13.7604 36.3598 -1.48526 -12.2152 -1.48525 2.42268 GPRESSAVG: 3533400 -32.3047 -15.0776 -13.9439 -14.5309 36.3469 -2.20998 -10.4602 -0.557769 3.48077 TIMING: 3533400 CPU: 11166.5, 0.00315638/step Wall: 11166.5, 0.00315638/step, 1.28587 hours remaining, 239.125000 MB of memory in use. ENERGY: 3533400 3962.0472 20566.7664 14394.4614 255.0721 -203674.8847 2726.7152 0.0000 0.0000 51991.8380 -109777.9843 298.7978 -161769.8223 -109413.4125 298.7905 215.1497 246.9568 761386.0273 2.5186 2.5076 PRESSURE: 3533600 34.3263 29.0415 452.932 29.0419 -179.745 -184.693 452.933 -184.693 -328.061 GPRESSURE: 3533600 85.629 35.1623 434.084 51.8026 -93.5428 -102.552 348.284 -151.978 -370.26 PRESSAVG: 3533600 -17.2769 18.1738 -23.3264 18.1737 11.8853 9.61749 -23.3265 9.61751 0.383078 GPRESSAVG: 3533600 -16.1702 19.0127 -22.5343 18.6336 12.4001 10.4882 -23.4551 8.22332 -1.25036 TIMING: 3533600 CPU: 11167.1, 0.00318638/step Wall: 11167.1, 0.00318638/step, 1.29792 hours remaining, 239.125000 MB of memory in use. ENERGY: 3533600 4016.8447 20549.5649 14485.4579 239.0889 -203544.8482 2700.8016 0.0000 0.0000 51872.6627 -109680.4275 298.1129 -161553.0902 -109315.6314 298.7614 -157.8266 -126.0581 763009.1041 -1.6695 -1.6735 PRESSURE: 3533800 -36.7061 -14.7315 -2.04268 -14.7328 -201.707 36.7909 -2.04225 36.7911 -378.765 GPRESSURE: 3533800 -18.75 -26.9472 -48.984 12.6739 -149.627 47.1722 13.372 58.7965 -356.377 PRESSAVG: 3533800 42.7951 34.3399 44.6128 34.3399 -47.7275 22.97 44.6128 22.9701 -32.8693 GPRESSAVG: 3533800 42.3364 35.4453 43.1768 34.7381 -48.2104 24.3196 44.6174 21.9597 -31.7958 TIMING: 3533800 CPU: 11167.8, 0.00318895/step Wall: 11167.8, 0.00318895/step, 1.29879 hours remaining, 239.125000 MB of memory in use. ENERGY: 3533800 4004.1448 20697.3144 14486.8879 247.5993 -203912.6463 2867.2272 0.0000 0.0000 52009.4169 -109600.0557 298.8988 -161609.4725 -109246.1086 299.4727 -205.7260 -174.9180 761204.8742 -12.6006 -12.5566 PRESSURE: 3534000 187.91 -22.913 58.3634 -22.9125 10.3932 26.7753 58.363 26.7751 -106.222 GPRESSURE: 3534000 225.818 21.0373 111.535 -57.8404 45.7278 0.262388 -73.8394 -35.3688 -109.223 PRESSAVG: 3534000 12.7742 30.6875 -12.4889 30.6875 -36.7845 -44.0399 -12.4889 -44.0398 -0.399171 GPRESSAVG: 3534000 13.6678 29.0453 -12.7241 30.7183 -36.9467 -43.734 -12.304 -43.3123 -1.36097 TIMING: 3534000 CPU: 11168.4, 0.00316105/step Wall: 11168.4, 0.00316105/step, 1.28725 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3534000 3925.5813 20654.2775 14429.1564 232.0400 -203643.9089 2835.2132 0.0000 0.0000 52147.5016 -109420.1391 299.6924 -161567.6407 -109053.7014 299.2141 30.6938 54.1076 761628.8713 -8.1365 -8.2133 PRESSURE: 3534200 -30.8449 91.4587 166.737 91.4578 74.8825 170.092 166.736 170.093 -112.059 GPRESSURE: 3534200 20.3401 85.1388 148.319 37.9609 138.107 41.529 79.4719 200.303 -128.192 PRESSAVG: 3534200 42.706 -8.43923 1.04752 -8.43915 -62.5308 -44.481 1.04747 -44.4811 24.0553 GPRESSAVG: 3534200 43.1372 -8.38754 1.56085 -8.92164 -63.0964 -47.6609 2.08743 -43.988 23.5694 TIMING: 3534200 CPU: 11169, 0.00314317/step Wall: 11169, 0.00314317/step, 1.27979 hours remaining, 239.125000 MB of memory in use. ENERGY: 3534200 3902.1702 20659.7412 14441.5332 256.0924 -203807.3075 2804.6874 0.0000 0.0000 52236.2557 -109506.8275 300.2025 -161743.0831 -109151.7619 299.2008 -22.6739 10.0851 760967.1010 1.4102 1.2034 PRESSURE: 3534400 -248.245 82.2045 -7.58914 82.204 140.474 107 -7.58895 107.001 40.2614 GPRESSURE: 3534400 -162.969 63.3403 -9.8378 -9.86135 140.677 74.5415 -130.844 136.327 51.6447 PRESSAVG: 3534400 -23.6934 7.19878 -21.6319 7.1988 -5.34008 -49.5026 -21.6318 -49.5026 8.01646 GPRESSAVG: 3534400 -24.1435 8.77608 -20.058 7.61166 -6.31419 -48.3233 -23.8392 -49.8475 8.7914 TIMING: 3534400 CPU: 11169.7, 0.00315295/step Wall: 11169.7, 0.00315295/step, 1.2836 hours remaining, 239.125000 MB of memory in use. ENERGY: 3534400 3995.7565 20713.7537 14457.1250 254.1037 -203569.5399 2642.1795 0.0000 0.0000 51955.7571 -109550.8643 298.5905 -161506.6215 -109193.5511 298.5508 -22.5032 9.7844 761887.1613 -7.0057 -7.2221 PRESSURE: 3534600 -562.99 49.7307 -58.7638 49.7309 -231.742 -14.9203 -58.7631 -14.9211 -113.322 GPRESSURE: 3534600 -474.813 77.4706 -21.7356 166.19 -235.711 31.0534 59.2499 -53.7918 -80.3158 PRESSAVG: 3534600 -36.646 -31.3088 -14.2215 -31.3088 25.1801 17.3656 -14.2215 17.3656 -5.26432 GPRESSAVG: 3534600 -37.4099 -32.1242 -15.791 -31.8622 26.128 18.3703 -13.7025 18.4564 -5.85715 TIMING: 3534600 CPU: 11170.3, 0.00314177/step Wall: 11170.3, 0.00314177/step, 1.27888 hours remaining, 239.125000 MB of memory in use. ENERGY: 3534600 3941.2716 20529.3652 14402.1824 255.4402 -203173.3012 2432.3580 0.0000 0.0000 52148.6899 -109463.9939 299.6992 -161612.6838 -109095.8031 298.9370 -302.6846 -263.6131 762525.4520 -5.5767 -5.7130 PRESSURE: 3534800 -158.817 -39.1738 323.543 -39.1732 -312.168 101.705 323.544 101.706 115.661 GPRESSURE: 3534800 -177.616 32.3928 244.829 -26.5616 -293.225 106.711 202.396 1.20696 190.612 PRESSAVG: 3534800 -60.7358 6.64827 21.7646 6.64832 68.8621 27.5415 21.7646 27.5415 1.15871 GPRESSAVG: 3534800 -61.6399 6.13727 21.9402 6.21867 69.1693 26.9591 21.4294 26.8616 1.67624 TIMING: 3534800 CPU: 11170.9, 0.00316145/step Wall: 11170.9, 0.00316145/step, 1.28671 hours remaining, 239.125000 MB of memory in use. ENERGY: 3534800 3996.3720 20534.2949 14453.6200 254.9335 -203169.3432 2319.1593 0.0000 0.0000 52025.3382 -109585.6253 298.9903 -161610.9635 -109234.6025 299.4668 -118.4415 -93.4095 762707.0441 3.0950 3.0686 PRESSURE: 3535000 -259.006 -44.0636 118.008 -44.063 -157.731 -227.092 118.007 -227.092 -110.718 GPRESSURE: 3535000 -202.055 81.9962 183.311 42.0717 -92.1595 -220.133 224.19 -121.734 -148.888 PRESSAVG: 3535000 3.85365 -12.1928 24.3498 -12.1928 5.67984 -34.1975 24.3498 -34.1975 -1.67577 GPRESSAVG: 3535000 3.68807 -10.9037 24.2096 -11.2093 5.52687 -35.1334 25.9949 -33.2841 -1.09158 TIMING: 3535000 CPU: 11171.6, 0.00318327/step Wall: 11171.6, 0.00318327/step, 1.29542 hours remaining, 239.125000 MB of memory in use. ENERGY: 3535000 4013.9793 20514.2921 14409.0729 221.5262 -203367.3464 2513.0571 0.0000 0.0000 51980.5356 -109714.8832 298.7329 -161695.4188 -109360.5345 299.3376 -175.8187 -147.7007 762360.1405 2.6192 2.7078 PRESSURE: 3535200 209.859 -190.311 6.73412 -190.311 -245.804 36.7174 6.73388 36.718 86.1718 GPRESSURE: 3535200 193.834 -150.532 -38.3205 -177.897 -222.51 11.854 19.6626 74.453 138.512 PRESSAVG: 3535200 -3.1314 -12.5466 20.8437 -12.5466 -5.5882 -5.71191 20.8437 -5.71195 2.50377 GPRESSAVG: 3535200 -1.5072 -13.8326 21.1851 -13.0121 -4.79781 -6.22282 19.4851 -5.44508 0.26955 TIMING: 3535200 CPU: 11172.2, 0.00313324/step Wall: 11172.2, 0.00313324/step, 1.27488 hours remaining, 239.125000 MB of memory in use. ENERGY: 3535200 4027.9336 20584.2665 14419.6623 246.6571 -203587.8044 2574.6542 0.0000 0.0000 51862.8315 -109871.7993 298.0564 -161734.6308 -109504.9136 298.5747 16.7422 36.6119 762064.4507 -2.0719 -2.0118 PRESSURE: 3535400 -38.3761 -70.497 -32.3196 -70.4973 -73.8284 -81.2856 -32.3198 -81.2851 372.179 GPRESSURE: 3535400 -64.3942 5.47805 -62.343 -7.04113 51.3417 -30.1525 27.3179 -19.1171 379.476 PRESSAVG: 3535400 8.55057 20.3217 -19.525 20.3217 -28.6623 -58.3616 -19.525 -58.3616 13.6777 GPRESSAVG: 3535400 7.61188 20.3538 -19.5694 19.4404 -28.7434 -57.7422 -18.3068 -59.2137 14.6768 TIMING: 3535400 CPU: 11172.8, 0.00312984/step Wall: 11172.8, 0.00312984/step, 1.27332 hours remaining, 239.125000 MB of memory in use. ENERGY: 3535400 4064.4070 20521.5181 14470.9662 244.0744 -203363.7211 2565.0058 0.0000 0.0000 51722.6473 -109775.1023 297.2508 -161497.7496 -109407.7269 298.8685 86.6583 122.1413 760438.9293 -2.1447 -2.1516 PRESSURE: 3535600 4.28697 15.8452 141.868 15.8463 93.8692 -119.539 141.868 -119.539 242.016 GPRESSURE: 3535600 40.4532 46.4832 77.6353 36.3463 133.692 5.77983 221.802 -98.4292 245.463 PRESSAVG: 3535600 31.1325 -19.3465 -12.4331 -19.3465 -17.0243 13.6361 -12.4331 13.6361 5.83228 GPRESSAVG: 3535600 30.7642 -19.4424 -10.876 -17.3352 -16.8385 14.705 -12.4945 15.2013 5.59265 TIMING: 3535600 CPU: 11173.5, 0.00314689/step Wall: 11173.5, 0.00314689/step, 1.28008 hours remaining, 239.125000 MB of memory in use. ENERGY: 3535600 4008.1773 20517.7721 14391.1807 235.6387 -203645.5191 2728.5666 0.0000 0.0000 51974.9081 -109789.2757 298.7005 -161764.1838 -109434.1018 298.3208 113.3908 139.8695 761003.9816 6.6468 6.5061 PRESSURE: 3535800 -174.737 39.3468 101.504 39.3465 35.5785 -197.163 101.504 -197.164 213.492 GPRESSURE: 3535800 -177.956 177.679 61.517 27.0825 70.2786 -203.89 150.737 -177.897 266.813 PRESSAVG: 3535800 -49.5187 5.36412 66.2681 5.36416 66.365 -31.1242 66.2682 -31.1241 7.00953 GPRESSAVG: 3535800 -49.3025 5.32677 64.5286 5.22438 64.8657 -31.0372 65.5827 -30.0556 7.44212 TIMING: 3535800 CPU: 11174.1, 0.00313303/step Wall: 11174.1, 0.00313303/step, 1.27427 hours remaining, 239.125000 MB of memory in use. ENERGY: 3535800 3927.3814 20559.4523 14386.2469 253.1853 -203351.5158 2402.5165 0.0000 0.0000 52124.8970 -109697.8364 299.5625 -161822.7335 -109327.5949 298.9146 24.7777 53.0453 761669.8003 7.9520 7.6684 PRESSURE: 3536000 -82.0878 -67.8952 -13.755 -67.8959 77.1294 -226.132 -13.7544 -226.132 127.945 GPRESSURE: 3536000 -37.4306 -113.796 -59.9073 -11.8726 67.9172 -193.39 186.772 -44.7802 186.598 PRESSAVG: 3536000 -7.8702 4.3596 56.0719 4.35955 -47.2455 -38.1214 56.072 -38.1213 -35.9031 GPRESSAVG: 3536000 -7.73004 4.58957 56.1162 3.68823 -46.6741 -38.2667 58.7103 -38.7152 -36.1044 TIMING: 3536000 CPU: 11174.7, 0.00315282/step Wall: 11174.7, 0.00315282/step, 1.28215 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3536000 3912.6454 20527.2667 14434.2221 254.4238 -203565.1101 2626.5646 0.0000 0.0000 52073.7991 -109736.1883 299.2688 -161809.9875 -109365.4585 298.6972 40.9957 72.3616 761379.6717 -30.3396 -30.1695 PRESSURE: 3536200 -50.9787 -69.8636 146.525 -69.8637 34.6289 194.266 146.525 194.266 48.1273 GPRESSURE: 3536200 -15.6156 -51.16 191.372 -102.037 61.8353 142.102 117.568 101.96 79.6621 PRESSAVG: 3536200 30.9775 -31.7151 51.3136 -31.7151 -2.90256 -39.3262 51.3136 -39.3261 22.6837 GPRESSAVG: 3536200 32.4661 -30.8941 52.975 -33.1526 -4.01396 -38.8459 48.6189 -40.5235 22.4113 TIMING: 3536200 CPU: 11175.3, 0.00315441/step Wall: 11175.3, 0.0031544/step, 1.28262 hours remaining, 239.125000 MB of memory in use. ENERGY: 3536200 3937.6250 20493.8967 14408.6540 236.6282 -203232.8983 2238.5059 0.0000 0.0000 52194.0753 -109723.5131 299.9601 -161917.5884 -109355.1528 298.9850 10.5925 41.9606 762263.4202 16.9196 16.9545 LDB: ============= START OF LOAD BALANCING ============== 11187.7 LDB: ============== END OF LOAD BALANCING =============== 11187.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11187.7 LDB: ============= START OF LOAD BALANCING ============== 11188.1 LDB: Largest compute 7034 load 0.031678 is 16.2% of average load 0.196016 LDB: Average compute 0.004387 is 2.2% of average load 0.196016 LDB: TIME 11188.1 LOAD: AVG 0.196016 MAX 0.218302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.277 MB LDB: TIME 11188.1 LOAD: AVG 0.196016 MAX 0.218302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: TIME 11188.1 LOAD: AVG 0.196016 MAX 0.218302 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11188.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11188.1 PRESSURE: 3536400 -78.7383 -187.213 -133.301 -187.213 135.292 -72.9496 -133.301 -72.95 -122.189 GPRESSURE: 3536400 10.307 -126.275 -115.466 -258.61 152.75 -72.4021 -39.9427 -127.197 -146.086 PRESSAVG: 3536400 -31.0981 -1.19421 -0.779281 -1.19423 36.3533 -31.3121 -0.779268 -31.312 13.6281 GPRESSAVG: 3536400 -31.4427 -2.35236 -1.00564 1.6486 36.3903 -32.3856 -0.198035 -29.0497 13.8535 TIMING: 3536400 CPU: 11176, 0.00324746/step Wall: 11176, 0.00324746/step, 1.32027 hours remaining, 237.187500 MB of memory in use. ENERGY: 3536400 4004.6971 20449.9773 14430.2199 246.8434 -203633.6255 2815.1168 0.0000 0.0000 51984.0196 -109702.7514 298.7529 -161686.7710 -109350.9238 298.8076 -21.8784 5.6569 761512.9622 6.2944 6.2670 PRESSURE: 3536600 -35.5424 -13.841 32.3587 -13.8414 -31.7644 160.61 32.3583 160.609 -232.057 GPRESSURE: 3536600 -19.628 -125.153 13.2011 -6.23086 -17.1989 188.015 118.667 97.1647 -192.794 PRESSAVG: 3536600 7.42256 -49.6337 -14.3718 -49.6337 13.1507 27.4318 -14.3718 27.4318 -19.7227 GPRESSAVG: 3536600 5.24894 -50.187 -15.8529 -51.2875 15.6256 29.6273 -13.4299 25.6417 -20.1399 TIMING: 3536600 CPU: 11176.6, 0.00315838/step Wall: 11176.6, 0.00315838/step, 1.28388 hours remaining, 237.187500 MB of memory in use. ENERGY: 3536600 3997.0425 20488.7719 14369.4959 249.1808 -202527.3268 1944.2072 0.0000 0.0000 51899.8382 -109578.7903 298.2691 -161478.6285 -109214.1846 298.3984 -99.7879 -76.5405 761503.7082 0.2835 0.2449 PRESSURE: 3536800 51.0546 290.604 44.2095 290.604 -183.602 -106.805 44.21 -106.806 -75.1944 GPRESSURE: 3536800 -55.2785 191.432 124.542 287.004 -100.591 -135.122 -30.6178 -156.846 27.6539 PRESSAVG: 3536800 -3.45186 -1.04077 -2.41665 -1.04075 12.6996 -4.26156 -2.41667 -4.26159 -12.3724 GPRESSAVG: 3536800 -3.18286 -1.43516 -1.16515 -0.387085 12.1975 -4.48963 -4.44508 -5.57457 -12.1515 TIMING: 3536800 CPU: 11177.3, 0.00315997/step Wall: 11177.3, 0.00315997/step, 1.28435 hours remaining, 237.187500 MB of memory in use. ENERGY: 3536800 3977.7185 20586.3199 14410.1715 247.4674 -203216.3760 2499.5361 0.0000 0.0000 52111.4341 -109383.7285 299.4851 -161495.1626 -109030.9954 299.1399 -69.2474 -42.7385 761547.0376 -1.0415 -1.0456 PRESSURE: 3537000 100.116 -31.8706 -26.7829 -31.8704 50.7635 35.1962 -26.7821 35.196 -170.327 GPRESSURE: 3537000 97.104 43.8534 77.8071 -46.0944 95.1043 3.66921 -137.647 57.0081 -129.717 PRESSAVG: 3537000 -33.8153 -21.7342 -4.74548 -21.7341 18.8725 23.5424 -4.74545 23.5424 18.1919 GPRESSAVG: 3537000 -34.3456 -20.8371 -4.47057 -22.7919 19.0177 24.2791 -5.1857 24.5187 18.5217 TIMING: 3537000 CPU: 11177.9, 0.00317686/step Wall: 11177.9, 0.00317686/step, 1.29104 hours remaining, 237.187500 MB of memory in use. ENERGY: 3537000 3997.8738 20474.7108 14390.7889 250.4026 -203067.6913 2792.4984 0.0000 0.0000 51886.7117 -109274.7050 298.1936 -161161.4167 -108924.5637 299.6214 -6.4823 20.8304 762662.0402 1.0830 1.0646 PRESSURE: 3537200 -142.66 -28.4173 -11.7608 -28.4173 -401.962 -161.441 -11.7602 -161.44 208.752 GPRESSURE: 3537200 -149.537 -103.209 -55.5233 65.6387 -294.772 -140.247 2.66875 -142.991 192.108 PRESSAVG: 3537200 -22.3014 17.1033 27.7305 17.1033 8.95713 59.4487 27.7306 59.4486 -6.76121 GPRESSAVG: 3537200 -21.0665 18.0481 28.3031 16.3939 7.28714 59.8127 28.8797 57.0043 -6.19794 TIMING: 3537200 CPU: 11178.5, 0.0031601/step Wall: 11178.5, 0.0031601/step, 1.28406 hours remaining, 237.187500 MB of memory in use. ENERGY: 3537200 3972.8604 20459.9973 14369.2930 249.1611 -203090.3194 2506.7982 0.0000 0.0000 52224.5258 -109307.6835 300.1351 -161532.2093 -108935.2167 299.5007 -111.9565 -84.0668 762402.0555 -6.7018 -6.6591 PRESSURE: 3537400 -235.871 48.6463 55.6808 48.6461 -132.248 -99.9557 55.6803 -99.9554 -69.7189 GPRESSURE: 3537400 -201.871 97.4554 39.641 -2.82287 7.00581 -146.039 115.113 -38.031 -163.86 PRESSAVG: 3537400 -54.1426 39.9561 11.4035 39.9561 18.4588 75.5419 11.4034 75.542 -13.2082 GPRESSAVG: 3537400 -54.124 37.2807 10.3859 41.27 19.2347 72.1739 11.4519 78.2659 -14.0342 TIMING: 3537400 CPU: 11179.2, 0.00314578/step Wall: 11179.2, 0.00314578/step, 1.27806 hours remaining, 237.187500 MB of memory in use. ENERGY: 3537400 3918.3659 20523.4194 14389.9200 243.1327 -202908.5272 2208.4319 0.0000 0.0000 52244.4247 -109380.8328 300.2494 -161625.2575 -109019.8143 299.0281 -145.9461 -119.5750 762322.5019 -16.2974 -16.3078 PRESSURE: 3537600 -30.8928 49.1879 -4.53644 49.1882 -81.1758 87.3058 -4.53706 87.3065 -573.131 GPRESSURE: 3537600 -33.4598 6.9597 29.6262 5.95225 -60.196 65.2835 -12.7689 82.7195 -499.746 PRESSAVG: 3537600 -30.2641 62.9332 -34.8472 62.9332 17.7149 10.3062 -34.8472 10.3061 -3.44695 GPRESSAVG: 3537600 -31.1448 63.5831 -35.6629 61.7486 18.6418 11.7768 -36.1664 11.0242 -3.09523 TIMING: 3537600 CPU: 11179.8, 0.00318017/step Wall: 11179.8, 0.00318017/step, 1.29185 hours remaining, 237.187500 MB of memory in use. ENERGY: 3537600 3945.0412 20488.2051 14445.1721 231.1317 -202853.5902 2418.3548 0.0000 0.0000 52139.1177 -109186.5675 299.6442 -161325.6852 -108821.1561 299.5408 -228.3998 -197.8005 761857.0602 -5.3320 -5.1994 PRESSURE: 3537800 105.869 -148.525 30.9812 -148.525 214.749 97.7034 30.9811 97.7048 15.6808 GPRESSURE: 3537800 1.35906 -93.2741 -22.6247 -138.561 314.838 154.868 83.1318 -1.41708 103.345 PRESSAVG: 3537800 12.0085 -46.9301 19.2746 -46.9301 -25.4155 8.41215 19.2746 8.41213 10.7484 GPRESSAVG: 3537800 13.5928 -45.6216 19.8664 -46.0632 -26.5979 9.73425 21.3379 7.08105 10.1732 TIMING: 3537800 CPU: 11180.4, 0.00318921/step Wall: 11180.4, 0.00318922/step, 1.29535 hours remaining, 237.187500 MB of memory in use. ENERGY: 3537800 3977.6670 20519.9540 14394.3337 232.8178 -203117.8312 2358.1854 0.0000 0.0000 52441.1191 -109193.7542 301.3798 -161634.8733 -108833.5169 299.5460 112.0996 139.8473 760597.5764 -0.8862 -0.9439 PRESSURE: 3538000 130.778 -144.668 -153.539 -144.668 82.0007 67.6623 -153.539 67.6621 -414.283 GPRESSURE: 3538000 87.5297 -247.717 -266.111 -125.667 180.91 123.618 -59.2131 115.625 -373.807 PRESSAVG: 3538000 -35.5704 -64.7245 -22.6454 -64.7244 65.7826 4.74472 -22.6454 4.74478 -0.076257 GPRESSAVG: 3538000 -36.5688 -64.2507 -22.2389 -65.0092 66.3776 4.24405 -22.8796 4.68262 0.440809 TIMING: 3538000 CPU: 11181.1, 0.00319161/step Wall: 11181.1, 0.00319161/step, 1.29615 hours remaining, 237.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3538000 4020.9878 20606.7648 14390.2388 240.6759 -203173.7605 2563.9038 0.0000 0.0000 52106.4454 -109244.7438 299.4565 -161351.1893 -108872.2174 299.9265 -67.1681 -35.1226 761766.9073 10.0453 10.0832 PRESSURE: 3538200 20.7917 129.992 1.9608 129.99 119.37 -436.398 1.96168 -436.399 -8.20628 GPRESSURE: 3538200 52.5438 15.4473 68.7055 15.4983 74.5833 -398.428 102.545 -257.728 85.1914 PRESSAVG: 3538200 -13.5801 -32.9922 43.0181 -32.9922 14.0162 34.0278 43.0181 34.0278 6.44291 GPRESSAVG: 3538200 -13.6983 -36.7623 44.3284 -32.0222 13.5552 33.4671 42.7254 36.0745 6.41018 TIMING: 3538200 CPU: 11181.7, 0.00317899/step Wall: 11181.7, 0.00317899/step, 1.29085 hours remaining, 237.187500 MB of memory in use. ENERGY: 3538200 3950.5038 20577.1783 14413.3620 248.5176 -203007.5480 2507.2584 0.0000 0.0000 52111.9201 -109198.8077 299.4879 -161310.7278 -108840.6069 299.7914 43.9851 70.7728 762468.3448 2.2930 2.0890 PRESSURE: 3538400 127.606 -146.405 -226.018 -146.405 -225.072 -40.2857 -226.017 -40.2854 -45.3497 GPRESSURE: 3538400 74.2294 -39.0578 -212.739 -160.987 -115.526 -51.0731 -253.738 -58.1646 -2.93896 PRESSAVG: 3538400 -65.5244 12.6134 23.8654 12.6134 64.0731 16.4724 23.8654 16.4724 4.07247 GPRESSAVG: 3538400 -64.511 11.8764 22.8125 10.9014 64.1315 17.005 21.256 14.7855 3.04174 TIMING: 3538400 CPU: 11182.3, 0.00316229/step Wall: 11182.3, 0.0031623/step, 1.28389 hours remaining, 237.187500 MB of memory in use. ENERGY: 3538400 4008.4412 20553.0143 14353.9245 237.9470 -203069.9611 2512.0049 0.0000 0.0000 52219.9156 -109184.7136 300.1086 -161404.6292 -108823.1623 300.0131 -47.6052 -14.7452 762147.2584 0.8737 0.8874 PRESSURE: 3538600 -27.287 -173.16 -33.7466 -173.16 -67.5485 80.98 -33.7473 80.9789 -23.229 GPRESSURE: 3538600 -37.6323 -146.874 44.6991 -65.3744 -23.8998 32.6748 44.1754 122.257 2.6705 PRESSAVG: 3538600 -12.4741 -48.5419 -41.8858 -48.5419 24.282 21.4447 -41.8859 21.4447 5.42555 GPRESSAVG: 3538600 -12.8308 -46.6963 -42.6694 -45.525 24.3944 20.9326 -38.9796 23.5635 5.29774 TIMING: 3538600 CPU: 11183, 0.00315411/step Wall: 11183, 0.00315411/step, 1.28039 hours remaining, 237.187500 MB of memory in use. ENERGY: 3538600 4015.9677 20704.7189 14496.5700 255.6844 -203243.9137 2464.0762 0.0000 0.0000 52114.4767 -109192.4199 299.5026 -161306.8966 -108833.2386 299.9011 -39.3549 -19.6205 762029.7161 5.7445 5.6205 PRESSURE: 3538800 33.4109 65.636 -95.3703 65.6357 119.559 -45.8704 -95.371 -45.8703 94.387 GPRESSURE: 3538800 -31.3822 111.31 -119.114 14.1088 250.336 -34.3285 -20.9939 -55.8385 124.716 PRESSAVG: 3538800 -58.6171 -0.364891 -37.0863 -0.364913 60.9667 19.5754 -37.0863 19.5754 2.40996 GPRESSAVG: 3538800 -59.1673 -0.902435 -37.1392 -1.42038 61.3127 19.0569 -36.9231 18.9575 3.03393 TIMING: 3538800 CPU: 11183.6, 0.00324478/step Wall: 11183.6, 0.00324479/step, 1.31702 hours remaining, 237.187500 MB of memory in use. ENERGY: 3538800 3916.8537 20627.9844 14468.2725 258.4102 -203206.4451 2585.6011 0.0000 0.0000 52112.0691 -109237.2542 299.4888 -161349.3233 -108871.6410 299.8455 82.4525 114.5566 761850.0606 1.5865 1.7264 PRESSURE: 3539000 -155.486 -83.4536 183.378 -83.4534 -71.266 -164.56 183.378 -164.559 308.779 GPRESSURE: 3539000 -49.5627 -31.5655 220.069 -68.962 -128.254 -177.688 171.579 -56.7668 351.34 PRESSAVG: 3539000 -4.70164 19.8263 -30.0406 19.8263 31.1684 6.53537 -30.0406 6.53538 -1.1568 GPRESSAVG: 3539000 -4.05989 20.7756 -28.6995 18.6789 30.8118 8.10173 -30.8502 5.23169 -1.08287 TIMING: 3539000 CPU: 11184.2, 0.00315802/step Wall: 11184.2, 0.00315802/step, 1.28163 hours remaining, 237.187500 MB of memory in use. ENERGY: 3539000 3968.9030 20657.5498 14461.3661 221.2652 -203097.3424 2460.0222 0.0000 0.0000 52279.2164 -109049.0196 300.4494 -161328.2361 -108694.6405 299.8207 27.3427 57.8413 762627.9072 8.4366 8.5564 PRESSURE: 3539200 -42.0445 -20.981 -7.95276 -20.9803 -45.125 -123.882 -7.95267 -123.883 -538.045 GPRESSURE: 3539200 5.463 -26.754 -48.343 30.5316 -142.525 -145.367 128.857 -73.3415 -401.546 PRESSAVG: 3539200 -55.5804 -1.22754 -27.7456 -1.22759 32.5689 -0.778541 -27.7456 -0.778512 17.0949 GPRESSAVG: 3539200 -55.3708 -2.26383 -29.0275 -0.277644 31.4036 -0.336692 -28.0736 -0.360385 18.645 TIMING: 3539200 CPU: 11184.9, 0.00316137/step Wall: 11184.9, 0.00316137/step, 1.28281 hours remaining, 237.187500 MB of memory in use. ENERGY: 3539200 4005.8186 20808.7174 14413.0850 242.8811 -202830.0400 2289.0748 0.0000 0.0000 51988.5729 -109081.8902 298.7790 -161070.4631 -108727.7215 300.4788 -208.4049 -179.5359 762228.6141 -1.9722 -1.7741 PRESSURE: 3539400 31.3168 200.657 145.055 200.658 -152.399 105.893 145.054 105.893 -235.337 GPRESSURE: 3539400 49.0045 279.696 148.104 263.758 -93.2333 48.5241 142.734 70.9679 -215.354 PRESSAVG: 3539400 -10.2193 -20.6775 5.99988 -20.6775 40.895 19.2522 5.99986 19.2522 -5.10814 GPRESSAVG: 3539400 -9.8685 -19.9437 7.27029 -20.2183 42.4049 19.3655 6.52714 17.0433 -6.5466 TIMING: 3539400 CPU: 11185.5, 0.00315748/step Wall: 11185.5, 0.00315748/step, 1.28106 hours remaining, 237.187500 MB of memory in use. ENERGY: 3539400 4029.8048 20648.6104 14340.3033 237.4404 -202809.1577 2216.7308 0.0000 0.0000 52039.9746 -109296.2935 299.0744 -161336.2680 -108937.3564 300.2540 -118.8064 -86.5276 761409.9479 8.5225 8.6633 PRESSURE: 3539600 262.251 -177.885 88.4626 -177.884 -586.124 60.381 88.4616 60.3806 -50.9877 GPRESSURE: 3539600 297.87 -71.7297 77.5216 -195.515 -457.888 75.3011 41.7852 53.7189 -139.177 PRESSAVG: 3539600 10.1437 -35.7957 -10.1301 -35.7957 -25.9708 20.0934 -10.1302 20.0934 1.56631 GPRESSAVG: 3539600 10.282 -36.1822 -11.4694 -35.0127 -25.9491 20.3088 -7.83964 22.5778 1.56021 TIMING: 3539600 CPU: 11186.2, 0.00326289/step Wall: 11186.2, 0.00326289/step, 1.32365 hours remaining, 237.187500 MB of memory in use. ENERGY: 3539600 4076.1602 20472.7504 14456.4350 258.0287 -202832.8826 2086.1053 0.0000 0.0000 52167.2807 -109316.1223 299.8061 -161483.4029 -108945.2199 299.6515 -124.9534 -99.7318 762237.3579 -4.7536 -4.7023 PRESSURE: 3539800 -203.871 263.772 -177.605 263.774 -21.0478 119.61 -177.605 119.61 210.846 GPRESSURE: 3539800 -101.88 135.073 -254.25 242.177 39.8903 -2.1404 -72.2578 155.409 149.41 PRESSAVG: 3539800 37.3267 13.3852 1.84827 13.3853 -41.3524 12.204 1.84828 12.204 3.44506 GPRESSAVG: 3539800 36.837 13.9259 3.64204 12.6559 -42.7576 11.3403 -0.954101 11.6141 5.07844 TIMING: 3539800 CPU: 11186.8, 0.00319899/step Wall: 11186.8, 0.00319899/step, 1.29755 hours remaining, 237.187500 MB of memory in use. ENERGY: 3539800 3887.7476 20665.0421 14443.9676 238.9998 -203655.4032 2660.3146 0.0000 0.0000 52318.0571 -109441.2744 300.6726 -161759.3316 -109071.8850 300.4327 -4.6909 29.1402 762020.8264 -0.1935 -0.2807 PRESSURE: 3540000 64.9182 -19.0231 17.0947 -19.0231 -155.984 41.4744 17.0954 41.4748 154.617 GPRESSURE: 3540000 66.3391 -22.7584 79.1734 -161.835 -74.7226 64.3428 -72.57 81.1012 157.218 PRESSAVG: 3540000 24.1167 29.8157 -49.131 29.8157 6.81052 -5.46147 -49.131 -5.46153 -15.2127 GPRESSAVG: 3540000 23.8364 28.3544 -50.1315 30.5884 8.01391 -6.63177 -46.2659 -3.24748 -15.598 TIMING: 3540000 CPU: 11187.4, 0.00318192/step Wall: 11187.4, 0.00318192/step, 1.29045 hours remaining, 237.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3540000 3981.9399 20613.0137 14474.2612 261.2722 -203276.2119 2381.1026 0.0000 0.0000 52187.3594 -109377.2630 299.9215 -161564.6224 -109009.3534 300.0255 21.1836 49.6115 761411.2995 5.2381 5.4174 PRESSURE: 3540200 309.477 121.109 -3.63883 121.109 441.69 -78.5112 -3.63939 -78.5104 381.254 GPRESSURE: 3540200 477 38.1271 -88.1852 135.032 433.748 -164.704 -56.6984 -21.4882 309.205 PRESSAVG: 3540200 -0.688481 47.1156 -7.05439 47.1156 30.1873 -18.5063 -7.05439 -18.5062 8.39227 GPRESSAVG: 3540200 -0.225147 49.1962 -6.79624 46.9631 29.7676 -18.1395 -8.64328 -20.0878 8.6258 TIMING: 3540200 CPU: 11188.1, 0.00330467/step Wall: 11188.1, 0.00330467/step, 1.34004 hours remaining, 237.187500 MB of memory in use. ENERGY: 3540200 3947.7099 20405.3410 14400.9019 261.8338 -203525.3699 2669.2480 0.0000 0.0000 52308.5340 -109531.8013 300.6179 -161840.3353 -109160.5806 299.5226 377.4738 406.6508 760937.6891 12.6304 12.7228 LDB: ============= START OF LOAD BALANCING ============== 11200.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11200.5 LDB: =============== DONE WITH MIGRATION ================ 11200.5 LDB: ============= START OF LOAD BALANCING ============== 11200.8 LDB: Largest compute 7068 load 0.033872 is 17.3% of average load 0.195948 LDB: Average compute 0.004385 is 2.2% of average load 0.195948 LDB: TIME 11200.8 LOAD: AVG 0.195948 MAX 0.216165 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 11200.8 LOAD: AVG 0.195948 MAX 0.216165 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 11200.8 LOAD: AVG 0.195948 MAX 0.216165 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 11200.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11200.9 PRESSURE: 3540400 -162.895 61.0472 7.98809 61.048 192.991 112.401 7.98746 112.401 -49.8395 GPRESSURE: 3540400 -93.4682 130.141 -27.043 58.0828 150.542 185.162 31.0706 102.586 21.8901 PRESSAVG: 3540400 -19.1749 55.3471 19.4165 55.3471 11.5818 -55.9088 19.4165 -55.9088 16.6143 GPRESSAVG: 3540400 -19.7973 53.7269 20.3989 55.0862 12.1416 -54.7421 18.8805 -55.7206 16.8408 TIMING: 3540400 CPU: 11188.8, 0.00335696/step Wall: 11188.8, 0.00335696/step, 1.36106 hours remaining, 239.183594 MB of memory in use. ENERGY: 3540400 4001.3538 20679.7831 14380.2287 235.9901 -203599.9505 2612.0905 0.0000 0.0000 52169.2729 -109521.2313 299.8175 -161690.5042 -109166.0474 299.7285 -6.5814 26.3213 761596.6925 3.0070 3.0617 PRESSURE: 3540600 55.5953 -148.69 38.5058 -148.69 -21.8173 27.2028 38.5057 27.2026 -176.33 GPRESSURE: 3540600 86.7359 -97.321 84.2083 -168.198 75.4487 50.5488 61.7072 -63.6298 -239.929 PRESSAVG: 3540600 -43.1961 69.7624 -1.47802 69.7624 62.5717 -6.25428 -1.47806 -6.25435 3.95258 GPRESSAVG: 3540600 -42.6124 70.7242 -1.66517 69.6041 62.4853 -5.58803 -1.27511 -7.82872 2.87884 TIMING: 3540600 CPU: 11189.4, 0.00333321/step Wall: 11189.4, 0.00333321/step, 1.35125 hours remaining, 239.253906 MB of memory in use. ENERGY: 3540600 4065.3639 20548.0416 14392.9752 243.8962 -203908.0758 2972.4580 0.0000 0.0000 52079.4243 -109605.9166 299.3012 -161685.3409 -109240.5962 299.1006 -47.5173 -25.9147 761859.5884 7.7760 7.5839 PRESSURE: 3540800 -120.439 -60.1116 14.2674 -60.1127 64.8301 -93.1512 14.2671 -93.1513 -584.894 GPRESSURE: 3540800 -8.76938 -26.4659 106.64 -98.2325 30.8527 -160.054 -111.167 -53.3108 -587.471 PRESSAVG: 3540800 5.15438 -29.3127 17.9397 -29.3127 56.7663 -19.6147 17.9397 -19.6146 13.1119 GPRESSAVG: 3540800 5.46908 -28.8623 16.2625 -28.3058 56.0445 -19.9669 17.7517 -20.7361 13.252 TIMING: 3540800 CPU: 11190.1, 0.00327653/step Wall: 11190.1, 0.00327653/step, 1.32809 hours remaining, 239.253906 MB of memory in use. ENERGY: 3540800 4120.5174 20421.6439 14417.9671 256.5501 -203665.1645 2583.6909 0.0000 0.0000 52084.2645 -109780.5306 299.3290 -161864.7951 -109423.5802 298.8707 -213.5010 -188.4625 762562.1489 25.0109 24.9218 PRESSURE: 3541000 202.731 -19.6423 -44.3337 -19.642 -143.19 20.0929 -44.3342 20.0923 56.543 GPRESSURE: 3541000 178.892 -68.3177 -48.2214 10.6991 -41.9152 27.3395 4.20728 49.3774 66.3283 PRESSAVG: 3541000 0.113156 4.38115 9.22514 4.38115 -11.1784 -52.3684 9.2251 -52.3684 -23.6793 GPRESSAVG: 3541000 -0.691308 5.50231 9.59466 3.81296 -10.5533 -52.175 11.7461 -51.5365 -23.2331 TIMING: 3541000 CPU: 11190.7, 0.00317407/step Wall: 11190.7, 0.00317407/step, 1.28638 hours remaining, 239.253906 MB of memory in use. ENERGY: 3541000 4007.1704 20616.8433 14451.4690 244.9719 -203915.3191 2818.5030 0.0000 0.0000 52066.9785 -109709.3830 299.2296 -161776.3615 -109352.0301 298.6912 38.6947 67.7683 761489.6743 -11.5815 -11.4926 PRESSURE: 3541200 104.711 118.101 -83.6645 118.101 -131.756 187.047 -83.6639 187.047 -49.5607 GPRESSURE: 3541200 54.8896 98.7786 -82.5166 111.855 8.69751 274.78 -135.689 178.346 -63.6204 PRESSAVG: 3541200 -26.5725 13.9968 6.82555 13.9967 13.1319 -4.52732 6.8256 -4.52725 -4.44392 GPRESSAVG: 3541200 -26.0508 13.9777 8.5339 12.1157 13.4941 -5.80023 5.8095 -3.38241 -5.19908 TIMING: 3541200 CPU: 11191.4, 0.00318307/step Wall: 11191.4, 0.00318307/step, 1.28985 hours remaining, 239.253906 MB of memory in use. ENERGY: 3541200 4058.0068 20571.3745 14451.1104 244.3092 -203478.6052 2505.5018 0.0000 0.0000 51870.9811 -109777.3214 298.1032 -161648.3025 -109431.8017 298.6922 -25.5355 -0.0111 762864.8012 -5.9615 -5.9186 PRESSURE: 3541400 42.9606 114.179 -86.0372 114.178 -24.6512 270.667 -86.0363 270.667 -42.3839 GPRESSURE: 3541400 154.809 13.127 -130.5 10.5907 -1.67938 235.06 -179.365 177.954 -89.6585 PRESSAVG: 3541400 -0.684684 -1.01578 -66.8035 -1.01578 10.6564 -20.4592 -66.8035 -20.4592 -3.65156 GPRESSAVG: 3541400 -0.154486 -2.1065 -68.208 0.378929 9.50769 -20.1165 -67.1216 -18.8093 -2.85216 TIMING: 3541400 CPU: 11192, 0.00319861/step Wall: 11192, 0.00319861/step, 1.29597 hours remaining, 239.253906 MB of memory in use. ENERGY: 3541400 3963.8355 20468.3523 14352.6738 257.7479 -203571.2325 2623.3016 0.0000 0.0000 51936.4979 -109968.8236 298.4798 -161905.3215 -109596.9412 298.2835 -8.0248 21.1571 761394.6867 2.1067 2.1670 PRESSURE: 3541600 151.945 7.9165 239.402 7.91566 -190.579 258.508 239.402 258.506 191.444 GPRESSURE: 3541600 129.17 -39.0279 268.361 -104.262 -21.111 283.714 331.365 160.182 143.639 PRESSAVG: 3541600 52.3879 -35.0306 32.2838 -35.0307 -10.7848 46.1659 32.2838 46.1659 -3.97411 GPRESSAVG: 3541600 51.4462 -34.525 33.0897 -35.6963 -9.21973 46.5164 30.601 43.2748 -4.65231 TIMING: 3541600 CPU: 11192.6, 0.00319653/step Wall: 11192.6, 0.00319653/step, 1.29495 hours remaining, 239.253906 MB of memory in use. ENERGY: 3541600 4031.7296 20438.8098 14373.3560 238.5199 -203589.4439 2627.7209 0.0000 0.0000 51897.1609 -109982.1467 298.2537 -161879.3076 -109620.4329 298.0431 50.9366 83.8994 761930.6289 12.5430 12.5247 PRESSURE: 3541800 59.7725 107.209 13.3905 107.208 -63.1175 -18.0357 13.3908 -18.0348 -59.6361 GPRESSURE: 3541800 47.9159 56.8715 50.4309 4.81687 -26.2865 -73.5952 -75.3478 129.018 13.6441 PRESSAVG: 3541800 -4.86355 -12.3077 -12.0513 -12.3076 -8.39016 -20.3867 -12.0513 -20.3868 22.7913 GPRESSAVG: 3541800 -5.09244 -10.5029 -12.9251 -13.3676 -8.60281 -22.3198 -11.3341 -19.4914 23.2321 TIMING: 3541800 CPU: 11193.3, 0.00327237/step Wall: 11193.3, 0.00327237/step, 1.32549 hours remaining, 239.253906 MB of memory in use. ENERGY: 3541800 3960.3172 20367.9084 14519.4967 231.9289 -203664.4361 2633.8989 0.0000 0.0000 51893.5839 -110057.3021 298.2331 -161950.8860 -109691.2607 298.2333 -20.9937 11.7578 762689.3332 3.1792 3.1789 PRESSURE: 3542000 -218.044 -33.5713 -143.659 -33.5722 285.304 226.356 -143.658 226.357 11.863 GPRESSURE: 3542000 -126.045 -117.702 -65.5548 7.45415 304.57 237.535 -247.253 374.231 -2.72135 PRESSAVG: 3542000 -11.4839 -25.4979 5.67977 -25.498 -12.4013 65.9185 5.67975 65.9184 4.91964 GPRESSAVG: 3542000 -11.3583 -28.2882 6.15465 -22.6343 -14.6722 65.3187 6.0906 66.4286 7.04184 TIMING: 3542000 CPU: 11193.9, 0.00313884/step Wall: 11193.9, 0.00313884/step, 1.27123 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3542000 3950.6190 20450.9760 14399.6685 249.5879 -203946.0122 3011.8387 0.0000 0.0000 51894.1146 -109989.2075 298.2362 -161883.3221 -109629.7029 298.0470 26.3745 58.6010 761311.0436 -6.3218 -6.3296 PRESSURE: 3542200 -56.8632 172.882 -45.8853 172.882 64.8373 16.0263 -45.8844 16.0262 -106.329 GPRESSURE: 3542200 -79.2011 79.6381 -125.14 74.0666 174.427 189.615 -179.36 -21.434 -93.7364 PRESSAVG: 3542200 -48.0405 -6.78274 -14.4544 -6.78274 49.9276 32.7839 -14.4545 32.7839 -3.56341 GPRESSAVG: 3542200 -47.1091 -5.59557 -14.4726 -8.84424 51.2529 35.6086 -15.0564 32.6578 -5.68035 TIMING: 3542200 CPU: 11194.6, 0.00315372/step Wall: 11194.6, 0.00315372/step, 1.27708 hours remaining, 239.253906 MB of memory in use. ENERGY: 3542200 3919.9183 20585.5082 14407.1674 244.5164 -203726.0774 2766.4032 0.0000 0.0000 51872.2476 -109930.3164 298.1105 -161802.5640 -109570.8067 298.1812 -32.7850 0.4966 762353.9253 -0.5588 -0.5122 PRESSURE: 3542400 -53.0717 -77.5272 39.7639 -77.5273 175.448 275.007 39.7643 275.007 -165.257 GPRESSURE: 3542400 -29.3782 97.006 53.9176 -86.6209 295.559 186.208 19.4475 255.242 -216.232 PRESSAVG: 3542400 -6.22905 29.6797 -12.3007 29.6797 14.1292 8.69046 -12.3007 8.69049 5.00519 GPRESSAVG: 3542400 -7.28575 29.5662 -13.1117 30.1841 15.1248 7.66443 -11.6675 9.10689 5.17536 TIMING: 3542400 CPU: 11195.2, 0.00315225/step Wall: 11195.2, 0.00315225/step, 1.27631 hours remaining, 239.253906 MB of memory in use. ENERGY: 3542400 3945.7547 20459.2378 14417.0914 252.0083 -203608.8235 2680.1076 0.0000 0.0000 52167.5871 -109687.0366 299.8078 -161854.6238 -109317.2269 298.5164 -14.2937 16.6495 761989.9953 4.3018 4.3381 PRESSURE: 3542600 -202.813 -47.9383 285.405 -47.939 -183.097 -62.399 285.404 -62.3991 53.5993 GPRESSURE: 3542600 -235.651 -86.6226 268.595 -69.5428 -79.6099 -41.23 306.746 -176.023 61.8487 PRESSAVG: 3542600 -37.2593 -12.4213 -15.0543 -12.4213 85.2151 6.58541 -15.0542 6.58544 21.0623 GPRESSAVG: 3542600 -36.2257 -11.7518 -13.1817 -13.3869 84.8812 7.07526 -13.8099 6.07763 20.4596 TIMING: 3542600 CPU: 11195.8, 0.00316796/step Wall: 11195.8, 0.00316796/step, 1.2825 hours remaining, 239.253906 MB of memory in use. ENERGY: 3542600 4053.9954 20431.4724 14526.9643 266.3867 -203653.3786 2895.9170 0.0000 0.0000 51835.3383 -109643.3044 297.8984 -161478.6427 -109282.7601 298.6850 -110.7703 -84.4707 762838.1026 23.0060 23.0384 PRESSURE: 3542800 325.339 -75.7989 -94.861 -75.7991 180.611 119.286 -94.8612 119.286 155.127 GPRESSURE: 3542800 339.353 -142.406 -64.1389 -186.121 239.654 66.6316 -158.802 55.8632 170.159 PRESSAVG: 3542800 6.17745 17.6806 -20.1321 17.6806 -5.37483 -31.4447 -20.1321 -31.4447 1.32405 GPRESSAVG: 3542800 6.17258 15.8038 -20.427 18.4779 -6.31785 -32.2902 -20.6614 -32.9253 2.45293 TIMING: 3542800 CPU: 11196.5, 0.00318682/step Wall: 11196.5, 0.00318682/step, 1.28995 hours remaining, 239.253906 MB of memory in use. ENERGY: 3542800 3944.8105 20428.9722 14516.6030 252.6708 -203542.8219 2716.5465 0.0000 0.0000 52082.0886 -109601.1302 299.3165 -161683.2189 -109243.1516 299.0649 220.3589 249.7220 760227.9402 0.7089 0.7692 PRESSURE: 3543000 33.2844 -158.506 -115.812 -158.506 -27.7438 79.305 -115.813 79.3049 -363.151 GPRESSURE: 3543000 78.7113 -93.1966 -91.9832 -84.9031 -37.6556 97.8764 -99.436 44.7196 -304.075 PRESSAVG: 3543000 11.2848 -34.1119 24.4652 -34.1119 28.1593 21.0369 24.4651 21.0369 2.12325 GPRESSAVG: 3543000 10.3542 -34.4675 24.7181 -33.3901 28.5707 20.903 23.2324 20.3533 2.78235 TIMING: 3543000 CPU: 11197.1, 0.00317772/step Wall: 11197.1, 0.00317772/step, 1.28609 hours remaining, 239.253906 MB of memory in use. ENERGY: 3543000 4047.8587 20488.5824 14506.6695 239.0988 -203650.7436 2584.4117 0.0000 0.0000 52103.4696 -109680.6531 299.4394 -161784.1226 -109326.5288 298.9967 -119.2033 -87.6732 760447.5374 13.8558 13.9024 PRESSURE: 3543200 -12.9356 -137.931 37.1649 -137.931 -92.5598 -204.369 37.1653 -204.369 297.308 GPRESSURE: 3543200 131.32 101.656 34.6806 -54.2605 -162.647 -196.753 36.4032 -126.355 293.023 PRESSAVG: 3543200 0.42626 6.40755 -24.207 6.40758 -1.19828 29.276 -24.2069 29.2761 1.44795 GPRESSAVG: 3543200 0.801194 9.15421 -23.9642 8.03167 -1.35544 28.6403 -24.3978 31.7103 0.468843 TIMING: 3543200 CPU: 11197.7, 0.00316521/step Wall: 11197.7, 0.00316521/step, 1.28085 hours remaining, 239.253906 MB of memory in use. ENERGY: 3543200 3927.1115 20691.5510 14536.5142 259.4029 -203414.3364 2538.1434 0.0000 0.0000 51891.3697 -109570.2437 298.2204 -161461.6134 -109203.9428 298.5476 63.9375 87.2317 760140.1302 0.2253 -0.0285 PRESSURE: 3543400 -244.78 24.6665 -124.965 24.6669 -278.578 134.466 -124.965 134.465 75.7691 GPRESSURE: 3543400 -210.716 105.433 -109.031 -69.7518 -294.276 140.893 -46.8061 97.7194 151.178 PRESSAVG: 3543400 -3.24806 -27.5802 -16.7981 -27.5803 -18.2411 -30.9583 -16.7981 -30.9583 9.26713 GPRESSAVG: 3543400 -3.49347 -29.129 -18.8552 -28.1793 -17.9395 -30.9206 -15.2524 -32.1593 9.3699 TIMING: 3543400 CPU: 11198.4, 0.00323925/step Wall: 11198.4, 0.00323925/step, 1.31064 hours remaining, 239.253906 MB of memory in use. ENERGY: 3543400 3992.6930 20556.2404 14528.6894 246.8364 -203361.6201 2276.7467 0.0000 0.0000 52266.2261 -109494.1881 300.3747 -161760.4142 -109126.3686 299.2545 -149.1963 -117.9379 760991.0489 -4.0740 -4.0210 PRESSURE: 3543600 -290.548 -116.236 -194.718 -116.235 -380.236 269.119 -194.718 269.118 -303.076 GPRESSURE: 3543600 -355.606 -56.9685 -79.0301 -46.6131 -235.97 339.502 -95.6533 206.874 -301.951 PRESSAVG: 3543600 8.61903 -33.3332 20.0865 -33.3332 -32.9948 7.70313 20.0865 7.70319 -12.6668 GPRESSAVG: 3543600 8.98377 -32.3342 19.2736 -33.607 -33.3049 8.28457 19.274 6.53742 -12.9096 TIMING: 3543600 CPU: 11199, 0.00318278/step Wall: 11199, 0.00318278/step, 1.28761 hours remaining, 239.253906 MB of memory in use. ENERGY: 3543600 3961.5814 20485.0200 14497.8964 257.1333 -203346.0288 2609.0298 0.0000 0.0000 51946.0813 -109589.2866 298.5348 -161535.3679 -109223.2939 299.6523 -324.6203 -297.8423 762569.3763 -12.3475 -12.4103 PRESSURE: 3543800 -17.9155 79.6786 -73.3964 79.6784 -123.718 -278.66 -73.397 -278.661 155.611 GPRESSURE: 3543800 21.2783 58.588 -2.85479 -73.2391 -84.0785 -328.181 -90.3044 -179.372 196.227 PRESSAVG: 3543800 32.8704 9.06538 1.71705 9.06533 -21.4502 -7.27984 1.71708 -7.27991 -18.0783 GPRESSAVG: 3543800 32.4102 7.80685 3.5855 7.85548 -21.3823 -7.74036 1.9721 -5.32761 -17.9351 TIMING: 3543800 CPU: 11199.7, 0.00322634/step Wall: 11199.7, 0.00322634/step, 1.30506 hours remaining, 239.253906 MB of memory in use. ENERGY: 3543800 3935.2234 20651.9380 14459.7221 263.3962 -203926.6709 2912.2977 0.0000 0.0000 51801.1961 -109902.8974 297.7022 -161704.0935 -109549.8422 298.8329 4.6591 44.4758 760932.9977 -2.2193 -2.3024 PRESSURE: 3544000 185.019 82.6187 219.364 82.6183 39.2963 199.077 219.364 199.077 199.303 GPRESSURE: 3544000 179.231 -72.2405 188.036 78.9602 100.436 146.261 183.778 72.7762 246.299 PRESSAVG: 3544000 20.7021 -76.4358 -14.3712 -76.4358 -2.64009 -58.367 -14.3713 -58.367 -0.393988 GPRESSAVG: 3544000 21.9068 -76.8762 -14.4804 -75.9097 -4.49284 -58.1795 -15.4276 -59.7132 0.280677 TIMING: 3544000 CPU: 11200.3, 0.00322848/step Wall: 11200.3, 0.00322848/step, 1.30574 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3544000 3973.8570 20566.8876 14395.5863 239.7752 -203698.0962 2960.3644 0.0000 0.0000 51721.5820 -109840.0438 297.2446 -161561.6258 -109480.6749 298.6598 141.2063 175.3222 761672.2421 5.8893 5.8982 PRESSURE: 3544200 -160.604 -166.106 -77.3114 -166.106 -127.424 74.4742 -77.3114 74.4755 94.731 GPRESSURE: 3544200 -112.261 -180.23 -83.6754 -209.489 -103.217 100.101 61.5288 124.693 117.343 PRESSAVG: 3544200 -30.847 -21.6345 28.2727 -21.6345 -2.37703 1.61663 28.2726 1.61659 13.9459 GPRESSAVG: 3544200 -31.8088 -21.47 26.6598 -21.9765 -0.0737356 3.66337 28.859 1.63676 12.6281 TIMING: 3544200 CPU: 11200.9, 0.00313753/step Wall: 11200.9, 0.00313753/step, 1.26878 hours remaining, 239.253906 MB of memory in use. ENERGY: 3544200 3982.8940 20462.8202 14536.7764 249.5569 -203612.9843 2547.5879 0.0000 0.0000 51866.8808 -109966.4681 298.0797 -161833.3489 -109603.2656 298.2663 -64.4323 -32.7118 761285.3788 -6.4260 -6.4181 LDB: ============= START OF LOAD BALANCING ============== 11213.3 LDB: ============== END OF LOAD BALANCING =============== 11213.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11213.3 LDB: ============= START OF LOAD BALANCING ============== 11213.6 LDB: Largest compute 7068 load 0.030998 is 15.8% of average load 0.196000 LDB: Average compute 0.004379 is 2.2% of average load 0.196000 LDB: TIME 11213.6 LOAD: AVG 0.196 MAX 0.220699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 11213.6 LOAD: AVG 0.196 MAX 0.220699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 11213.6 LOAD: AVG 0.196 MAX 0.220699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 11213.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11213.7 PRESSURE: 3544400 103.289 -140.598 -114.501 -140.599 -6.13943 -42.5002 -114.5 -42.499 -221.133 GPRESSURE: 3544400 127.633 -171.833 -79.3393 -117.637 58.9322 23.1917 -108.255 -150.959 -219.468 PRESSAVG: 3544400 -21.3747 -73.5263 -15.8858 -73.5263 -12.7357 32.9864 -15.8857 32.9864 -1.36542 GPRESSAVG: 3544400 -20.9936 -72.5075 -14.4783 -73.1431 -14.9564 31.8391 -14.8373 33.3599 -0.33302 TIMING: 3544400 CPU: 11201.6, 0.00320404/step Wall: 11201.6, 0.00320404/step, 1.2955 hours remaining, 238.160156 MB of memory in use. ENERGY: 3544400 4013.8974 20637.5483 14455.6064 256.1697 -203878.7105 2847.5451 0.0000 0.0000 51909.1680 -109758.7755 298.3227 -161667.9435 -109391.5742 298.6718 -41.3277 -10.9677 761870.6384 -11.8253 -12.0944 PRESSURE: 3544600 -103.361 -231.074 -83.3893 -231.073 -136.79 -225.023 -83.3897 -225.025 -205.22 GPRESSURE: 3544600 -61.0904 -181.495 -128.8 -190.639 -165.93 -72.154 -60.1951 -260.788 -154.279 PRESSAVG: 3544600 25.1885 -33.4864 3.61349 -33.4864 -27.9482 -12.1593 3.61353 -12.1593 -9.0458 GPRESSAVG: 3544600 25.61 -31.9422 4.08541 -32.772 -27.8359 -10.9181 4.14233 -11.6304 -9.72342 TIMING: 3544600 CPU: 11202.2, 0.0031737/step Wall: 11202.2, 0.0031737/step, 1.28306 hours remaining, 238.363281 MB of memory in use. ENERGY: 3544600 3992.2058 20420.4117 14445.6040 260.3188 -203500.7786 2618.5205 0.0000 0.0000 52219.9716 -109543.7462 300.1089 -161763.7178 -109187.3985 299.1290 -148.4571 -127.0997 761383.1750 -3.9352 -3.9831 PRESSURE: 3544800 -432.1 -3.94572 85.3404 -3.94597 -86.3637 -11.1878 85.3404 -11.189 -142.503 GPRESSURE: 3544800 -349.009 57.3779 51.8441 122.774 -55.2902 -8.28097 62.9094 -95.9574 -149.711 PRESSAVG: 3544800 30.2558 -30.2472 14.1261 -30.2472 -33.0628 47.3395 14.1261 47.3395 33.5007 GPRESSAVG: 3544800 30.3466 -31.5263 14.0817 -30.8374 -32.9541 45.2179 13.0261 48.3774 33.3102 TIMING: 3544800 CPU: 11202.8, 0.00321319/step Wall: 11202.8, 0.00321319/step, 1.29884 hours remaining, 238.363281 MB of memory in use. ENERGY: 3544800 4023.3977 20510.4900 14389.5162 269.8974 -203175.9492 2452.0056 0.0000 0.0000 51811.3217 -109719.3207 297.7604 -161530.6423 -109364.7062 298.9729 -220.3220 -184.6701 762419.0068 10.2312 10.2343 PRESSURE: 3545000 50.0987 -33.9274 -148.922 -33.9283 196.876 83.7228 -148.922 83.723 272.114 GPRESSURE: 3545000 57.3472 -35.5647 -111.554 -52.7979 269.415 168.42 -163.127 120.811 285.587 PRESSAVG: 3545000 8.63554 -57.9447 -30.7653 -57.9447 21.2589 -4.29562 -30.7652 -4.29572 -0.4327 GPRESSAVG: 3545000 8.07253 -58.4194 -31.2083 -57.9047 21.3304 -3.70595 -31.3882 -5.79397 0.338135 TIMING: 3545000 CPU: 11203.5, 0.00325547/step Wall: 11203.5, 0.00325547/step, 1.31575 hours remaining, 238.363281 MB of memory in use. ENERGY: 3545000 3960.7072 20311.0673 14423.6917 240.2402 -203788.1566 2836.5619 0.0000 0.0000 52204.3180 -109811.5702 300.0189 -162015.8881 -109446.7970 298.9007 173.0295 204.1162 760336.7197 9.8206 9.9137 PRESSURE: 3545200 -177.56 -38.3595 289.274 -38.3603 82.0507 41.6103 289.274 41.6106 -111.557 GPRESSURE: 3545200 -131.514 -64.0225 183.766 -68.4643 118.282 146.024 209.99 81.8243 -99.2993 PRESSAVG: 3545200 29.8147 14.6843 -12.4049 14.6843 38.2467 -7.21062 -12.405 -7.21049 5.91519 GPRESSAVG: 3545200 30.0191 15.6732 -13.5528 14.1198 38.917 -5.77657 -10.4845 -5.86899 5.21499 TIMING: 3545200 CPU: 11204.1, 0.00314304/step Wall: 11204.1, 0.00314304/step, 1.27014 hours remaining, 238.363281 MB of memory in use. ENERGY: 3545200 3985.6475 20554.1486 14517.0213 261.4880 -203548.9583 2540.5158 0.0000 0.0000 51860.6762 -109829.4610 298.0440 -161690.1372 -109462.3380 298.8114 -69.0223 -37.5104 762070.4316 24.6589 24.7171 PRESSURE: 3545400 -155.391 -34.8813 -22.8059 -34.8818 -342.063 -25.0683 -22.8053 -25.0674 -398.981 GPRESSURE: 3545400 -186.925 63.0724 34.4021 -61.279 -322.538 -70.3321 105.768 -58.4188 -316.339 PRESSAVG: 3545400 -50.0679 -10.6451 10.5752 -10.6451 31.5222 -38.9029 10.5752 -38.903 -17.4109 GPRESSAVG: 3545400 -50.2525 -10.8249 11.8787 -8.35336 31.5491 -39.8883 9.08737 -41.6088 -17.8395 TIMING: 3545400 CPU: 11204.8, 0.00315921/step Wall: 11204.8, 0.00315921/step, 1.2765 hours remaining, 238.363281 MB of memory in use. ENERGY: 3545400 4084.7987 20513.0762 14489.1466 259.3534 -203715.6572 2557.5349 0.0000 0.0000 51850.2686 -109961.4789 297.9842 -161811.7475 -109601.8047 298.4779 -298.8115 -275.2673 761087.5404 -11.9855 -12.1810 PRESSURE: 3545600 -58.3328 22.0429 -192.443 22.0431 4.57145 75.8003 -192.441 75.8002 -466.487 GPRESSURE: 3545600 -51.749 -98.7373 -210.059 63.1175 -18.7697 53.0766 -110.259 -11.0629 -360.915 PRESSAVG: 3545600 -44.5573 -44.3509 -9.79175 -44.3508 36.4756 -61.0987 -9.79169 -61.0987 -19.9118 GPRESSAVG: 3545600 -43.595 -43.4307 -9.92833 -45.0046 35.3674 -60.7124 -9.01602 -57.9854 -19.3367 TIMING: 3545600 CPU: 11205.4, 0.0031571/step Wall: 11205.4, 0.0031571/step, 1.27547 hours remaining, 238.363281 MB of memory in use. ENERGY: 3545600 3968.0513 20437.8043 14495.5329 223.6227 -203968.8566 2881.5278 0.0000 0.0000 51971.4101 -109990.9076 298.6804 -161962.3177 -109636.2031 298.1022 -173.4161 -143.8114 761675.3587 -9.3312 -9.1881 PRESSURE: 3545800 55.9868 -91.1667 52.525 -91.1665 223.519 -23.7091 52.5252 -23.7093 -215.541 GPRESSURE: 3545800 145.753 -58.5526 28.6344 -151.591 158.404 -59.7453 68.7538 -65.7297 -173.432 PRESSAVG: 3545800 30.4526 19.2107 -41.9563 19.2107 -18.6541 16.8791 -41.9563 16.8792 -7.63386 GPRESSAVG: 3545800 29.8202 16.8799 -41.5207 17.4548 -18.1297 18.2817 -41.369 14.2439 -7.64252 TIMING: 3545800 CPU: 11206, 0.00314696/step Wall: 11206, 0.00314696/step, 1.2712 hours remaining, 238.363281 MB of memory in use. ENERGY: 3545800 3933.4099 20391.8668 14409.2437 256.3319 -203929.5937 3050.1266 0.0000 0.0000 51960.8573 -109927.7575 298.6198 -161888.6148 -109551.5779 298.4827 21.3214 43.5750 762915.5111 1.3882 1.3494 PRESSURE: 3546000 208.162 -76.3424 129.326 -76.3423 340.135 -256.898 129.325 -256.898 -522.064 GPRESSURE: 3546000 333.679 -69.6346 154.344 -54.279 307.619 -275.491 81.3161 -118.363 -529.34 PRESSAVG: 3546000 -23.0112 -13.9569 6.28592 -13.9569 22.0431 -26.3321 6.28591 -26.3321 26.8793 GPRESSAVG: 3546000 -23.6471 -10.0386 5.92522 -12.3409 23.0754 -27.9825 6.69236 -23.6866 26.4255 TIMING: 3546000 CPU: 11206.6, 0.00313893/step Wall: 11206.6, 0.00313894/step, 1.26778 hours remaining, 238.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3546000 4022.2678 20419.6514 14458.8909 229.1544 -203762.4022 2770.4565 0.0000 0.0000 52190.1731 -109671.8081 299.9376 -161861.9812 -109296.8517 298.9634 8.7443 37.3193 760285.2818 8.6371 8.6179 PRESSURE: 3546200 36.9113 86.1888 -270.514 86.1888 -16.1708 36.3453 -270.513 36.3442 -585.94 GPRESSURE: 3546200 -4.7728 3.9401 -261.192 103.789 1.96837 180.525 -242.022 46.7017 -465.726 PRESSAVG: 3546200 51.5489 -14.5124 -18.0098 -14.5124 -17.2528 42.668 -18.0097 42.6681 1.91565 GPRESSAVG: 3546200 51.0922 -16.6751 -18.2734 -13.6427 -17.5194 42.3857 -21.1042 41.7007 2.13036 TIMING: 3546200 CPU: 11207.3, 0.00317233/step Wall: 11207.3, 0.00317233/step, 1.28109 hours remaining, 238.363281 MB of memory in use. ENERGY: 3546200 3957.6087 20570.5363 14533.4531 244.7735 -203219.4881 2387.2267 0.0000 0.0000 51994.1335 -109531.7562 298.8110 -161525.8897 -109172.4552 299.2662 -188.4000 -156.1768 762052.9203 12.0706 11.9010 PRESSURE: 3546400 297.987 201.865 119.833 201.865 95.6709 -24.7916 119.833 -24.7917 -118.233 GPRESSURE: 3546400 464.9 63.2754 118.551 134.928 94.1469 -28.9583 22.4189 5.61988 -163.581 PRESSAVG: 3546400 -17.0023 29.5521 -36.3773 29.5521 -30.5331 -33.2608 -36.3773 -33.2608 7.17739 GPRESSAVG: 3546400 -16.8984 29.189 -37.5581 28.2384 -29.7092 -33.2141 -34.9642 -33.7296 6.6805 TIMING: 3546400 CPU: 11207.9, 0.003166/step Wall: 11207.9, 0.003166/step, 1.27836 hours remaining, 238.363281 MB of memory in use. ENERGY: 3546400 3961.5029 20372.8111 14427.6979 252.8288 -203323.7366 2820.4319 0.0000 0.0000 51981.0475 -109507.4164 298.7358 -161488.4639 -109137.4815 299.0420 91.8083 131.8220 761212.5210 -13.4527 -13.3090 PRESSURE: 3546600 186.981 -33.4156 -75.0462 -33.4157 73.1014 133.975 -75.0464 133.975 286.147 GPRESSURE: 3546600 254.441 -187.513 -82.9138 -36.779 80.5996 183.427 -150.119 195.31 287.623 PRESSAVG: 3546600 15.3921 19.2106 -52.9199 19.2106 -4.61018 18.9815 -52.9199 18.9815 -17.9071 GPRESSAVG: 3546600 15.9869 18.3976 -52.4082 19.0849 -5.11493 19.7305 -53.1832 18.4087 -17.4367 TIMING: 3546600 CPU: 11208.5, 0.00315459/step Wall: 11208.5, 0.00315459/step, 1.27358 hours remaining, 238.363281 MB of memory in use. ENERGY: 3546600 3895.8169 20499.9627 14451.7878 249.6629 -203163.0033 2370.6678 0.0000 0.0000 52224.2025 -109470.9025 300.1332 -161695.1051 -109107.7436 299.1236 182.0765 207.5543 761015.0655 -2.3750 -2.1883 PRESSURE: 3546800 111.452 168.045 -147.279 168.046 -29.9874 82.502 -147.279 82.5015 -227.197 GPRESSURE: 3546800 172.002 117.33 -34.5901 79.1061 -30.2565 122.37 -205.3 -46.4132 -191.214 PRESSAVG: 3546800 69.985 4.53542 8.31689 4.5354 -37.0165 42.0477 8.3169 42.0477 1.43086 GPRESSAVG: 3546800 70.5048 4.58811 8.76735 3.46831 -37.8324 42.0627 6.41343 43.2483 1.72677 TIMING: 3546800 CPU: 11209.2, 0.00318371/step Wall: 11209.2, 0.00318371/step, 1.28516 hours remaining, 238.363281 MB of memory in use. ENERGY: 3546800 3891.6125 20417.5465 14518.0788 256.6539 -203407.2115 2509.2667 0.0000 0.0000 52274.5496 -109539.5035 300.4226 -161814.0531 -109169.5542 299.5889 -48.5776 -16.4894 760398.0176 11.4665 11.4664 PRESSURE: 3547000 -40.5306 -51.935 -20.0934 -51.9346 141.389 -81.0345 -20.0932 -81.0342 81.3298 GPRESSURE: 3547000 38.6411 18.8566 61.5898 -48.2362 126.206 -71.0513 -89.3348 -114.748 90.8954 PRESSAVG: 3547000 -12.0276 13.3872 13.2051 13.3871 -15.5709 20.351 13.2051 20.351 0.368505 GPRESSAVG: 3547000 -13.0795 13.8644 14.0872 13.8922 -13.7519 18.6826 14.613 19.5776 -0.180851 TIMING: 3547000 CPU: 11209.8, 0.00317603/step Wall: 11209.8, 0.00317603/step, 1.28188 hours remaining, 238.363281 MB of memory in use. ENERGY: 3547000 3955.7718 20618.6027 14396.8153 263.6483 -203448.6945 2682.7622 0.0000 0.0000 52268.0690 -109263.0252 300.3853 -161531.0943 -108903.5430 299.6323 60.7295 85.2475 760518.9825 -9.0767 -9.0041 PRESSURE: 3547200 241.087 84.188 -23.1845 84.189 314.879 41.5237 -23.1835 41.5246 -72.6814 GPRESSURE: 3547200 242.017 228.135 -72.3575 -29.3411 425.648 58.4677 -47.712 79.6571 -106.997 PRESSAVG: 3547200 25.7723 30.8262 -28.2633 30.8262 -35.0618 -32.5225 -28.2633 -32.5224 -9.07387 GPRESSAVG: 3547200 25.7812 32.2763 -29.2269 32.0553 -35.3033 -32.7324 -28.032 -32.4198 -8.85783 TIMING: 3547200 CPU: 11210.4, 0.00314735/step Wall: 11210.4, 0.00314735/step, 1.27013 hours remaining, 238.363281 MB of memory in use. ENERGY: 3547200 3911.8509 20734.3704 14410.0339 265.7915 -203589.5201 2692.2146 0.0000 0.0000 52201.7451 -109373.5137 300.0041 -161575.2588 -109007.0866 300.0015 161.0951 186.8893 759540.3319 -6.1211 -6.1266 PRESSURE: 3547400 -25.6782 42.2575 -61.7031 42.2572 238.519 -179.105 -61.702 -179.105 -144.945 GPRESSURE: 3547400 -26.1679 -17.2934 -57.6533 19.4645 297.017 -162.628 5.32452 -174.452 -119.129 PRESSAVG: 3547400 52.9609 15.4959 5.17094 15.4959 -11.9339 3.29948 5.17092 3.29946 2.64807 GPRESSAVG: 3547400 53.1266 13.0472 5.72519 16.2999 -11.9623 3.30741 5.15642 4.55965 2.31029 TIMING: 3547400 CPU: 11211.1, 0.00314091/step Wall: 11211.1, 0.00314091/step, 1.26736 hours remaining, 238.363281 MB of memory in use. ENERGY: 3547400 3967.6639 20704.2497 14452.5461 248.9143 -203491.6614 2575.0029 0.0000 0.0000 52037.3324 -109505.9520 299.0593 -161543.2844 -109140.6563 299.5686 22.6319 50.5733 759790.1626 14.5584 14.4915 PRESSURE: 3547600 -190.564 -32.8904 -133.627 -32.8898 -482.835 127.167 -133.626 127.167 -96.6278 GPRESSURE: 3547600 -267.149 -55.7722 -180.31 -41.3537 -336.885 160.105 -88.7695 163.822 -79.0665 PRESSAVG: 3547600 -47.7257 3.33611 28.7096 3.33606 48.6327 18.5261 28.7097 18.5262 -18.0097 GPRESSAVG: 3547600 -47.4088 2.64348 26.607 2.23347 48.7428 19.2682 28.5013 17.4033 -18.5421 TIMING: 3547600 CPU: 11211.7, 0.00315607/step Wall: 11211.7, 0.00315607/step, 1.2733 hours remaining, 238.363281 MB of memory in use. ENERGY: 3547600 3979.0431 20665.5106 14479.4097 235.0476 -203340.9755 2270.3934 0.0000 0.0000 52131.1172 -109580.4538 299.5982 -161711.5710 -109219.3177 299.5132 -256.6758 -227.7001 760753.9774 -5.7009 -5.7360 PRESSURE: 3547800 449.789 150.064 -57.732 150.063 176.45 26.8842 -57.7315 26.8839 -182.466 GPRESSURE: 3547800 441.528 170.582 22.9554 66.6144 194.344 -135.627 -40.5187 60.8907 -103.312 PRESSAVG: 3547800 25.8835 58.6515 -24.68 58.6515 -44.2493 -38.0742 -24.6799 -38.0743 -3.98391 GPRESSAVG: 3547800 27.0254 59.6554 -23.6765 57.9855 -45.5763 -39.743 -24.8068 -37.191 -3.35209 TIMING: 3547800 CPU: 11212.3, 0.00317392/step Wall: 11212.3, 0.00317392/step, 1.28032 hours remaining, 238.363281 MB of memory in use. ENERGY: 3547800 3899.6779 20517.4865 14464.5196 240.1417 -203800.3352 2875.0102 0.0000 0.0000 52318.8861 -109484.6132 300.6774 -161803.4993 -109109.6475 299.2913 147.9241 177.5199 759951.6056 -7.4499 -7.3010 PRESSURE: 3548000 -406.349 -173.306 67.9004 -173.306 -256.059 93.9286 67.9009 93.9291 -144.483 GPRESSURE: 3548000 -322.288 -299.989 98.247 -191.935 -235.238 64.6323 -90.2253 -36.3796 -144.305 PRESSAVG: 3548000 -32.7564 -50.3747 5.58161 -50.3747 17.584 34.2908 5.58159 34.2908 7.97933 GPRESSAVG: 3548000 -33.0117 -51.6536 6.98991 -47.6692 17.5661 37.4527 5.40584 31.579 7.81116 TIMING: 3548000 CPU: 11213, 0.00317128/step Wall: 11213, 0.00317128/step, 1.27908 hours remaining, 238.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3548000 4001.4213 20574.0020 14447.7949 254.5208 -203497.8400 2656.5179 0.0000 0.0000 52049.5169 -109514.0662 299.1293 -161563.5831 -109153.3739 299.4188 -268.9640 -233.9438 761990.0878 -2.3977 -2.5448 PRESSURE: 3548200 -342.732 -11.805 -49.3633 -11.8051 55.9922 85.0446 -49.3636 85.0446 79.1835 GPRESSURE: 3548200 -269.035 4.1056 -15.6673 12.4129 -17.2229 57.7425 -106.493 183.298 167.118 PRESSAVG: 3548200 -27.6265 -70.3596 -16.4408 -70.3596 -6.44131 18.3502 -16.4408 18.3502 3.73064 GPRESSAVG: 3548200 -29.0762 -69.7894 -16.8872 -71.8103 -5.75085 17.1126 -18.1864 20.5955 4.28873 TIMING: 3548200 CPU: 11213.6, 0.00315834/step Wall: 11213.6, 0.00315834/step, 1.27369 hours remaining, 238.363281 MB of memory in use. ENERGY: 3548200 3952.1292 20650.7419 14506.4352 241.1141 -203340.3868 2577.6289 0.0000 0.0000 52240.0708 -109172.2667 300.2244 -161412.3374 -108806.5799 299.7065 -69.1853 -39.7132 760307.6390 -10.1124 -10.1794 LDB: ============= START OF LOAD BALANCING ============== 11226 LDB: ============== END OF LOAD BALANCING =============== 11226 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11226 LDB: ============= START OF LOAD BALANCING ============== 11226.3 LDB: Largest compute 7068 load 0.034766 is 17.7% of average load 0.195963 LDB: Average compute 0.004380 is 2.2% of average load 0.195963 LDB: TIME 11226.3 LOAD: AVG 0.195963 MAX 0.218379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.195 MB LDB: TIME 11226.3 LOAD: AVG 0.195963 MAX 0.218379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 11226.3 LOAD: AVG 0.195963 MAX 0.218379 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 11226.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11226.3 PRESSURE: 3548400 61.6604 144.5 149.839 144.501 -180.825 -26 149.838 -26.001 -353.939 GPRESSURE: 3548400 107.864 28.8412 23.2349 188.81 -153.87 46.1571 175.457 -192.201 -341.119 PRESSAVG: 3548400 -32.5119 -60.6367 -36.124 -60.6367 13.7149 -14.8195 -36.124 -14.8195 28.5835 GPRESSAVG: 3548400 -29.4634 -61.2843 -36.6699 -60.6967 11.5147 -14.6151 -34.4072 -13.4211 27.5985 TIMING: 3548400 CPU: 11214.2, 0.00320954/step Wall: 11214.2, 0.00320954/step, 1.29416 hours remaining, 236.820312 MB of memory in use. ENERGY: 3548400 4034.3832 20563.0730 14380.9819 239.5301 -203317.5298 2551.5805 0.0000 0.0000 52283.6456 -109264.3355 300.4748 -161547.9811 -108897.3282 299.5443 -157.7012 -129.0418 760754.9018 3.2622 3.2166 PRESSURE: 3548600 95.609 50.5112 -114.499 50.5126 -83.1815 -98.8766 -114.499 -98.8771 110.047 GPRESSURE: 3548600 135.281 -75.8054 -118.717 7.76611 36.6109 -133.465 -167.136 -17.7072 30.8458 PRESSAVG: 3548600 49.7623 -14.6254 -32.5421 -14.6255 -3.00662 -24.8641 -32.5422 -24.8641 -17.4572 GPRESSAVG: 3548600 46.1495 -14.6153 -32.4604 -15.4859 -0.293398 -25.3966 -33.5177 -25.6642 -17.056 TIMING: 3548600 CPU: 11214.9, 0.00313621/step Wall: 11214.9, 0.00313621/step, 1.26441 hours remaining, 236.820312 MB of memory in use. ENERGY: 3548600 4076.3712 20554.4494 14385.2050 251.3902 -203397.7417 2748.2962 0.0000 0.0000 52223.3178 -109158.7119 300.1281 -161382.0296 -108794.9795 299.8965 40.8248 67.5794 760278.8880 9.7662 9.6000 PRESSURE: 3548800 -49.3372 128.782 -113.876 128.783 75.6166 -0.326387 -113.877 -0.325692 248.697 GPRESSURE: 3548800 89.57 97.0198 -73.9514 59.5165 54.4826 24.6702 -173.454 -94.4511 217.065 PRESSAVG: 3548800 18.2512 17.655 -56.8627 17.6549 -4.37102 -5.40365 -56.8627 -5.4037 -2.17045 GPRESSAVG: 3548800 19.5158 18.4262 -57.0216 20.1353 -5.31626 -5.86752 -57.4838 -7.30354 -2.48457 TIMING: 3548800 CPU: 11215.5, 0.00314831/step Wall: 11215.5, 0.00314831/step, 1.26912 hours remaining, 236.820312 MB of memory in use. ENERGY: 3548800 4039.8127 20764.3676 14395.6018 238.1384 -203397.9052 2544.9934 0.0000 0.0000 52157.3432 -109257.6482 299.7490 -161414.9914 -108897.2424 299.9294 91.6588 120.3726 759527.5158 3.9033 3.9050 PRESSURE: 3549000 262.782 -203.787 -63.2126 -203.787 -238.23 -111.071 -63.2126 -111.07 446.16 GPRESSURE: 3549000 249.489 -146.183 -150.863 -198.966 -119.255 -52.7102 120.128 -136.912 409.145 PRESSAVG: 3549000 -0.22836 -42.2795 -46.4896 -42.2795 32.451 28.1747 -46.4896 28.1747 -21.9849 GPRESSAVG: 3549000 0.570839 -40.6999 -47.0398 -46.3181 32.2535 27.2553 -43.6474 29.2543 -22.8561 TIMING: 3549000 CPU: 11216.1, 0.0031411/step Wall: 11216.1, 0.0031411/step, 1.26604 hours remaining, 236.820312 MB of memory in use. ENERGY: 3549000 3966.0815 20768.1092 14442.3122 247.3834 -203406.4132 2641.1860 0.0000 0.0000 51858.2175 -109483.1234 298.0299 -161341.3409 -109120.2821 299.6257 156.9042 179.7931 762775.3460 3.4126 3.3227 PRESSURE: 3549200 82.024 -50.1667 60.6881 -50.1667 -140.342 -30.8753 60.6873 -30.8753 70.8363 GPRESSURE: 3549200 134.408 -81.0531 64.4767 -82.1189 -61.3454 0.191973 -26.3225 -152.822 46.1527 PRESSAVG: 3549200 3.29894 -96.7615 -39.9578 -96.7615 -11.0439 -38.3742 -39.9578 -38.3743 13.5562 GPRESSAVG: 3549200 3.50735 -96.7853 -39.2085 -95.0668 -12.2179 -36.0827 -41.6791 -40.1613 14.2792 TIMING: 3549200 CPU: 11216.8, 0.00313177/step Wall: 11216.8, 0.00313177/step, 1.2621 hours remaining, 236.820312 MB of memory in use. ENERGY: 3549200 3976.9077 20441.0371 14429.6617 245.8611 -203891.0393 3157.8161 0.0000 0.0000 52045.0017 -109594.7539 299.1033 -161639.7556 -109219.5522 299.3085 4.1728 39.7384 763603.3699 1.9371 1.8562 PRESSURE: 3549400 72.8429 -98.9483 -17.0546 -98.9488 -188.849 83.344 -17.054 83.3447 284.99 GPRESSURE: 3549400 69.9965 -127.239 -25.7712 -8.85388 -144.949 55.343 -19.7435 40.3389 325.115 PRESSAVG: 3549400 5.7495 -28.3297 8.84896 -28.3297 20.8369 11.6577 8.84892 11.6577 12.0331 GPRESSAVG: 3549400 5.05926 -29.811 8.01526 -29.3753 20.4358 10.072 6.87724 14.3058 13.2031 TIMING: 3549400 CPU: 11217.4, 0.00313937/step Wall: 11217.4, 0.00313937/step, 1.26499 hours remaining, 236.820312 MB of memory in use. ENERGY: 3549400 3975.3832 20705.2200 14466.2480 232.6931 -203224.0958 2346.8213 0.0000 0.0000 52196.6322 -109301.0980 299.9748 -161497.7302 -108929.0176 299.1828 56.3280 83.3875 762269.6479 12.8732 12.8994 PRESSURE: 3549600 56.9464 -96.5445 35.2455 -96.5451 -118.987 99.1239 35.2448 99.1232 -366.217 GPRESSURE: 3549600 73.5484 -60.1854 20.9839 -78.5782 -93.4854 100.329 59.8097 24.7196 -316.899 PRESSAVG: 3549600 2.2325 -29.8334 -50.6942 -29.8333 -3.29006 55.9965 -50.6941 55.9966 -11.2736 GPRESSAVG: 3549600 1.47751 -30.2182 -51.2743 -28.9491 -2.55634 56.4009 -48.3267 53.5515 -11.2705 TIMING: 3549600 CPU: 11218, 0.00313726/step Wall: 11218, 0.00313726/step, 1.26397 hours remaining, 236.820312 MB of memory in use. ENERGY: 3549600 4011.3255 20714.8221 14430.1986 243.8311 -203675.6489 2869.7082 0.0000 0.0000 52171.4411 -109234.3223 299.8300 -161405.7634 -108867.9522 300.5489 -142.7527 -112.2785 761223.2641 -4.1104 -4.1164 PRESSURE: 3549800 -260.018 -75.0986 -241.957 -75.0988 212.289 -136.242 -241.957 -136.24 85.3227 GPRESSURE: 3549800 -200.693 -15.5371 -133.06 -96.9978 237.11 -33.7934 -202.707 -120.309 61.8729 PRESSAVG: 3549800 -10.1388 11.5912 -69.7072 11.5911 13.1452 -22.3051 -69.7072 -22.3052 -1.80249 GPRESSAVG: 3549800 -8.87598 12.4624 -67.8961 11.1963 13.2962 -23.0386 -70.9526 -22.4751 -3.0092 TIMING: 3549800 CPU: 11218.6, 0.0031445/step Wall: 11218.6, 0.0031445/step, 1.26671 hours remaining, 236.820312 MB of memory in use. ENERGY: 3549800 4003.4600 20670.4085 14447.8275 240.2357 -203473.4822 2536.0555 0.0000 0.0000 52187.4381 -109388.0568 299.9219 -161575.4948 -109020.7777 299.7686 12.5312 32.7631 759734.4215 0.4013 0.4703 PRESSURE: 3550000 10.7254 -72.7655 19.9856 -72.7663 115.78 -74.3889 19.9862 -74.3901 57.0047 GPRESSURE: 3550000 -13.5846 -115.496 121.08 -35.8351 114.078 -83.6311 -24.4298 25.5913 162.782 PRESSAVG: 3550000 -26.8388 -59.0883 -2.45066 -59.0883 76.3771 -16.9212 -2.45069 -16.9212 9.60776 GPRESSAVG: 3550000 -27.3662 -59.1799 -2.31032 -56.986 75.9281 -15.5903 -1.9075 -16.3953 9.74325 TIMING: 3550000 CPU: 11219.3, 0.00317084/step Wall: 11219.3, 0.00317084/step, 1.27714 hours remaining, 236.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3550000 4005.1823 20703.7830 14425.7174 245.1868 -203729.8296 2766.8994 0.0000 0.0000 52148.1737 -109434.8870 299.6963 -161583.0608 -109076.0186 299.7540 61.1700 87.7584 759112.3872 19.7154 19.4351 PRESSURE: 3550200 4.96637 144.339 41.049 144.339 178.326 -21.4106 41.0493 -21.4113 24.7594 GPRESSURE: 3550200 40.4911 195.463 45.8827 185.786 161.796 -89.282 19.7132 54.4041 74.9832 PRESSAVG: 3550200 6.37185 -26.7413 -77.5015 -26.7414 -29.5629 0.958232 -77.5016 0.958145 12.1543 GPRESSAVG: 3550200 6.72217 -26.7185 -78.4082 -27.0975 -29.5944 0.93564 -78.0944 0.286871 12.573 TIMING: 3550200 CPU: 11219.9, 0.00315407/step Wall: 11219.9, 0.00315407/step, 1.27021 hours remaining, 236.820312 MB of memory in use. ENERGY: 3550200 4015.2565 20606.9104 14436.5041 241.1747 -203618.9220 2684.5219 0.0000 0.0000 52234.0973 -109400.4570 300.1901 -161634.5543 -109032.9728 299.7759 69.3507 92.4235 759989.0395 -3.6789 -3.4331 PRESSURE: 3550400 -171.913 57.1955 -93.8258 57.1964 -398.166 201.922 -93.8258 201.923 -412.882 GPRESSURE: 3550400 -155.168 43.2554 -59.1967 0.662459 -361.142 239.366 -33.4013 174.996 -402.956 PRESSAVG: 3550400 8.18965 -62.3889 -40.0398 -62.3889 -7.40866 8.92266 -40.0399 8.92269 -1.1482 GPRESSAVG: 3550400 8.44415 -62.5295 -40.5507 -61.2644 -6.66104 7.08215 -38.0112 11.7143 -2.29783 TIMING: 3550400 CPU: 11220.5, 0.00314527/step Wall: 11220.5, 0.00314527/step, 1.26649 hours remaining, 236.820312 MB of memory in use. ENERGY: 3550400 4057.0705 20541.4541 14425.8383 246.4923 -203833.6585 2782.5138 0.0000 0.0000 52148.5892 -109631.7002 299.6987 -161780.2894 -109265.7049 299.6784 -327.6534 -306.4221 761236.2888 -0.1224 -0.1716 PRESSURE: 3550600 -297.832 -236.015 -31.7306 -236.014 104.724 47.8173 -31.7296 47.8168 -147.183 GPRESSURE: 3550600 -273.16 -338.037 -62.7524 -146.159 178.555 -107.163 -42.387 8.79371 -172.009 PRESSAVG: 3550600 -8.24359 -55.7901 -37.544 -55.7901 -19.4092 -27.571 -37.544 -27.571 -1.03209 GPRESSAVG: 3550600 -9.72593 -55.587 -37.8613 -56.3105 -19.2771 -26.8889 -39.6185 -29.3128 -0.112342 TIMING: 3550600 CPU: 11221.2, 0.00316282/step Wall: 11221.2, 0.00316282/step, 1.27339 hours remaining, 236.820312 MB of memory in use. ENERGY: 3550600 4016.7627 20435.3247 14465.7249 238.3600 -203711.1624 2674.0571 0.0000 0.0000 52227.5277 -109653.4053 300.1523 -161880.9330 -109281.8877 299.2152 -113.4304 -88.8714 760441.1467 -9.5616 -9.7051 PRESSURE: 3550800 -291.224 9.21579 115.501 9.21598 -183.274 -31.647 115.501 -31.6471 55.1031 GPRESSURE: 3550800 -293.777 -58.055 88.6209 12.7095 -130.866 -151.068 125.237 -42.6108 75.5396 PRESSAVG: 3550800 -45.3674 -4.34176 -49.3732 -4.34176 46.1703 -34.8315 -49.3732 -34.8315 -16.1791 GPRESSAVG: 3550800 -44.2358 -3.98119 -49.2974 -8.05096 45.7476 -34.1519 -50.0205 -34.7628 -17.2326 TIMING: 3550800 CPU: 11221.8, 0.00315849/step Wall: 11221.8, 0.00315849/step, 1.27147 hours remaining, 236.820312 MB of memory in use. ENERGY: 3550800 3915.6250 20454.5340 14564.8548 238.9539 -203281.6903 2547.7414 0.0000 0.0000 52257.5067 -109302.4746 300.3246 -161559.9813 -108928.0118 299.4031 -139.7981 -116.3680 763150.6856 -5.1254 -5.2402 PRESSURE: 3551000 197.273 -221.699 46.4601 -221.699 54.5761 -8.56245 46.46 -8.56209 -36.1762 GPRESSURE: 3551000 219.817 -129.533 66.0353 -249.011 41.9043 -148.299 33.2019 -24.3768 38.2946 PRESSAVG: 3551000 21.2643 -4.87404 -51.2833 -4.87398 -54.1018 11.1291 -51.2833 11.129 -15.9863 GPRESSAVG: 3551000 20.2843 -5.17743 -50.2859 -1.28137 -54.5705 8.89334 -49.0579 11.4987 -14.8002 TIMING: 3551000 CPU: 11222.4, 0.00315066/step Wall: 11222.4, 0.00315066/step, 1.26814 hours remaining, 236.820312 MB of memory in use. ENERGY: 3551000 4058.6026 20536.3897 14453.1454 228.7390 -203377.0309 2658.3630 0.0000 0.0000 52107.3466 -109334.4447 299.4616 -161441.7913 -108962.1957 299.3793 71.8909 100.0054 761472.8749 -16.2746 -16.3621 PRESSURE: 3551200 14.9036 29.5123 118.172 29.5123 -145.858 -195.225 118.171 -195.224 -150.417 GPRESSURE: 3551200 72.6265 -17.0233 180.279 48.8187 -217.244 -101.143 243.445 -282.784 -58.9927 PRESSAVG: 3551200 0.00450178 3.12864 -51.81 3.12856 12.8079 42.312 -51.8101 42.3119 5.30419 GPRESSAVG: 3551200 0.31862 2.59242 -51.8213 1.9111 12.455 45.0411 -53.362 42.2063 5.14626 TIMING: 3551200 CPU: 11223.1, 0.00317242/step Wall: 11223.1, 0.00317242/step, 1.27672 hours remaining, 236.820312 MB of memory in use. ENERGY: 3551200 4001.2131 20432.0800 14434.3692 240.1136 -202981.6303 2275.1789 0.0000 0.0000 52208.2913 -109390.3842 300.0418 -161598.6755 -109030.7832 299.3092 -93.7905 -67.8700 761040.4154 6.0389 5.9733 PRESSURE: 3551400 -246.638 9.5955 -51.7787 9.59616 -449.162 42.0622 -51.7784 42.0617 10.4907 GPRESSURE: 3551400 -222.457 14.9014 -102.326 -75.7614 -385.951 20.4844 -131.912 -37.0106 2.03395 PRESSAVG: 3551400 -44.7344 4.26533 -12.2504 4.26531 36.5824 -40.0821 -12.2504 -40.0821 5.67152 GPRESSAVG: 3551400 -45.0056 6.30589 -12.8801 2.5783 37.5158 -39.7458 -12.4137 -42.1649 4.75254 TIMING: 3551400 CPU: 11223.7, 0.00316349/step Wall: 11223.7, 0.00316349/step, 1.27295 hours remaining, 236.820312 MB of memory in use. ENERGY: 3551400 4020.6342 20624.2243 14428.0269 242.7266 -203561.3858 2717.8117 0.0000 0.0000 51989.0653 -109538.8967 298.7819 -161527.9620 -109178.7595 299.2137 -228.4366 -202.1249 761720.2440 -0.8268 -0.9124 PRESSURE: 3551600 -28.8485 66.3307 -137 66.3306 226.457 83.7052 -137 83.7056 361.888 GPRESSURE: 3551600 -21.184 29.1277 -139.978 64.8645 250.941 204.97 -143.061 39.1591 409.456 PRESSAVG: 3551600 -6.72745 -70.3635 -14.6455 -70.3636 24.5132 12.9815 -14.6455 12.9815 -25.9437 GPRESSAVG: 3551600 -7.77159 -72.462 -14.5111 -71.0999 25.514 13.2455 -14.422 14.2023 -25.8749 TIMING: 3551600 CPU: 11224.3, 0.00316917/step Wall: 11224.3, 0.00316917/step, 1.27506 hours remaining, 236.820312 MB of memory in use. ENERGY: 3551600 3941.0956 20506.2484 14440.2037 249.6858 -203735.5055 2781.0204 0.0000 0.0000 52259.9497 -109557.3019 300.3386 -161817.2516 -109189.5760 299.0926 186.4988 213.0709 762303.3918 -2.7193 -2.7108 PRESSURE: 3551800 -175.145 -40.1962 138.539 -40.1972 -284.569 -14.3398 138.539 -14.3395 -539.665 GPRESSURE: 3551800 -124.789 -148.807 137.519 -19.1251 -265.476 -56.365 96.6137 -35.2659 -536.15 PRESSAVG: 3551800 -46.4928 15.5953 31.9708 15.5954 34.633 7.24512 31.9708 7.24516 26.0575 GPRESSAVG: 3551800 -44.5639 16.1054 31.7559 17.4666 33.4568 7.01264 30.9135 7.45264 25.7843 TIMING: 3551800 CPU: 11225, 0.00316602/step Wall: 11225, 0.00316602/step, 1.27362 hours remaining, 236.820312 MB of memory in use. ENERGY: 3551800 4091.9721 20616.7240 14440.7463 251.3570 -203573.7449 2674.3409 0.0000 0.0000 51791.2769 -109707.3277 297.6452 -161498.6046 -109352.9652 299.2399 -333.1261 -308.8048 761330.4688 4.7326 4.8924 PRESSURE: 3552000 -284.953 26.9839 -25.336 26.9846 118.237 98.6316 -25.3363 98.6328 262.285 GPRESSURE: 3552000 -182.283 8.38136 1.49008 175.623 97.6534 141.635 -77.963 89.7805 268.139 PRESSAVG: 3552000 -73.6628 -24.5323 -21.9038 -24.5322 60.3972 -44.3194 -21.9038 -44.3194 -14.9402 GPRESSAVG: 3552000 -73.7836 -23.5342 -21.5319 -23.8162 60.4461 -45.9154 -19.7572 -43.9506 -14.7325 TIMING: 3552000 CPU: 11225.6, 0.00317746/step Wall: 11225.6, 0.00317746/step, 1.27805 hours remaining, 236.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3552000 3964.2476 20342.6087 14501.0235 258.9071 -203455.0671 2555.6303 0.0000 0.0000 51907.8323 -109924.8176 298.3150 -161832.6499 -109559.7433 298.7876 31.8563 61.1696 760960.8513 -9.4020 -9.3567 PRESSURE: 3552200 -75.246 -124.513 197.802 -124.513 165.026 37.6273 197.801 37.6271 342.376 GPRESSURE: 3552200 -65.1057 -159.035 330.972 -84.5663 258.694 82.9539 90.5021 -103.242 327.047 PRESSAVG: 3552200 -23.7567 4.94529 -54.9199 4.94526 24.0923 -18.9176 -54.92 -18.9176 9.75062 GPRESSAVG: 3552200 -23.9902 2.65143 -53.8952 3.91118 24.1763 -18.3528 -56.8258 -19.3203 10.2757 TIMING: 3552200 CPU: 11226.2, 0.00318008/step Wall: 11226.2, 0.00318008/step, 1.27892 hours remaining, 236.820312 MB of memory in use. ENERGY: 3552200 3985.7090 20571.4672 14420.0632 222.0546 -203684.3282 2750.9665 0.0000 0.0000 51647.8124 -110086.2552 296.8207 -161734.0676 -109723.5457 298.2845 144.0520 173.5451 760641.5203 3.3621 3.4872 LDB: ============= START OF LOAD BALANCING ============== 11238.6 LDB: ============== END OF LOAD BALANCING =============== 11238.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11238.6 LDB: ============= START OF LOAD BALANCING ============== 11239 LDB: Largest compute 7034 load 0.032210 is 16.4% of average load 0.196045 LDB: Average compute 0.004393 is 2.2% of average load 0.196045 LDB: TIME 11239 LOAD: AVG 0.196045 MAX 0.216799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 11239 LOAD: AVG 0.196045 MAX 0.216799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 11239 LOAD: AVG 0.196045 MAX 0.216799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 11239 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11239 PRESSURE: 3552400 26.5301 -50.4912 1.70833 -50.4911 -62.9548 25.9018 1.70931 25.9026 -36.8845 GPRESSURE: 3552400 54.8365 44.7174 71.943 -49.7642 -41.1459 24.4745 -33.4066 -2.73233 -16.3352 PRESSAVG: 3552400 24.3393 -26.061 -28.3539 -26.0611 -15.5258 -3.60592 -28.3539 -3.60595 -4.27335 GPRESSAVG: 3552400 24.7818 -23.8733 -29.5297 -26.8379 -15.5825 -3.82645 -27.3058 -4.16332 -4.7566 TIMING: 3552400 CPU: 11226.9, 0.00321111/step Wall: 11226.9, 0.00321111/step, 1.29122 hours remaining, 239.125000 MB of memory in use. ENERGY: 3552400 3996.6246 20615.8022 14438.2699 260.1721 -204086.0356 3016.9383 0.0000 0.0000 51731.0764 -110027.1521 297.2992 -161758.2285 -109663.4761 298.2244 -24.4364 -0.8816 760199.9916 1.5134 1.4809 PRESSURE: 3552600 -109.368 214.162 -99.0892 214.162 -218.236 -196.809 -99.089 -196.812 -159.265 GPRESSURE: 3552600 -169.838 59.9241 -26.3891 277.09 -142.946 -172.516 -127.495 5.2994 -75.5314 PRESSAVG: 3552600 44.6286 0.441806 -34.0145 0.441794 12.3589 22.7965 -34.0144 22.7965 1.33073 GPRESSAVG: 3552600 42.7113 -0.745254 -33.6258 2.75182 13.2992 21.9818 -35.4202 24.2362 2.33364 TIMING: 3552600 CPU: 11227.5, 0.00317061/step Wall: 11227.5, 0.00317061/step, 1.27476 hours remaining, 239.125000 MB of memory in use. ENERGY: 3552600 4027.1457 20460.8912 14437.0840 240.0960 -203686.9641 2403.5697 0.0000 0.0000 52116.5909 -110001.5866 299.5148 -162118.1775 -109617.7092 298.3360 -162.2897 -129.4385 760897.2688 19.4394 19.4481 PRESSURE: 3552800 114.517 -164.402 -19.6047 -164.401 -58.3073 76.3055 -19.6045 76.3056 -103.858 GPRESSURE: 3552800 122.555 -212.558 -76.7348 -183.698 -4.95616 30.4411 -98.755 130.301 -66.5957 PRESSAVG: 3552800 19.0137 -16.6519 6.60676 -16.6519 5.15133 -57.1106 6.60689 -57.1107 -8.79359 GPRESSAVG: 3552800 20.4829 -17.6809 6.53838 -17.9961 3.89863 -55.9056 6.12675 -57.607 -9.56375 TIMING: 3552800 CPU: 11228.2, 0.00318817/step Wall: 11228.2, 0.00318817/step, 1.28165 hours remaining, 239.125000 MB of memory in use. ENERGY: 3552800 4032.0974 20571.7648 14463.8228 255.4571 -204042.0988 2932.6621 0.0000 0.0000 51946.2767 -109840.0179 298.5360 -161786.2947 -109479.7867 298.6822 -15.8829 17.0010 760588.7258 5.1238 4.9393 PRESSURE: 3553000 211.414 -110.466 50.0461 -110.466 85.059 -40.7694 50.0467 -40.7676 -64.0231 GPRESSURE: 3553000 311.436 -108.015 43.6385 -166.282 53.9188 5.69275 93.2182 -84.8612 -39.9156 PRESSAVG: 3553000 -52.7802 -2.98001 -15.9384 -2.97995 15.6558 -61.8294 -15.9385 -61.8294 -30.8026 GPRESSAVG: 3553000 -53.2673 -2.69573 -15.8778 -1.51598 16.6 -62.2346 -13.7866 -63.5375 -30.7243 TIMING: 3553000 CPU: 11228.8, 0.00314955/step Wall: 11228.8, 0.00314955/step, 1.26595 hours remaining, 239.125000 MB of memory in use. ENERGY: 3553000 3947.6261 20544.8925 14383.3981 239.9229 -203661.7640 2697.4160 0.0000 0.0000 52130.0913 -109718.4170 299.5924 -161848.5083 -109355.4363 298.8350 77.4833 108.4796 759980.6657 -22.6423 -22.4639 PRESSURE: 3553200 198.656 73.9303 126.737 73.9297 -46.0824 128.129 126.737 128.128 185.569 GPRESSURE: 3553200 139.083 36.2475 101.192 58.6671 85.9855 220.778 233.711 67.9265 187.638 PRESSAVG: 3553200 50.1058 -5.09245 46.0123 -5.09247 -20.85 -25.1008 46.0123 -25.1007 21.0587 GPRESSAVG: 3553200 50.1683 -3.42389 44.9771 -6.90408 -20.5422 -26.1538 46.6531 -22.6419 20.4234 TIMING: 3553200 CPU: 11229.4, 0.00318998/step Wall: 11229.4, 0.00318998/step, 1.28202 hours remaining, 239.125000 MB of memory in use. ENERGY: 3553200 3980.4719 20478.8890 14421.8694 225.6292 -203543.3575 2796.6074 0.0000 0.0000 52138.9115 -109500.9791 299.6430 -161639.8906 -109124.9749 299.5052 112.7142 137.5686 761339.1694 16.7715 16.6832 PRESSURE: 3553400 -282.458 -130.404 222.32 -130.404 22.3543 -32.4305 222.32 -32.4313 -78.7074 GPRESSURE: 3553400 -286.507 -66.3469 150.071 -39.6311 58.977 -118.454 283.37 -35.1394 -36.7042 PRESSAVG: 3553400 -29.483 7.66422 55.8328 7.66421 43.6273 5.40362 55.8328 5.40363 -6.96048 GPRESSAVG: 3553400 -29.2241 7.25759 57.4122 7.99629 41.7046 5.36623 54.6733 2.71543 -5.24856 TIMING: 3553400 CPU: 11230, 0.0031423/step Wall: 11230, 0.0031423/step, 1.26268 hours remaining, 239.125000 MB of memory in use. ENERGY: 3553400 3987.6669 20566.8536 14449.6804 256.8676 -203376.4813 2499.7582 0.0000 0.0000 52269.3531 -109346.3013 300.3927 -161615.6545 -108983.9824 299.6229 -112.9369 -88.0781 762456.3827 2.3946 2.4106 PRESSURE: 3553600 110.151 137.666 98.8828 137.666 -30.0506 -112.87 98.8825 -112.87 284.711 GPRESSURE: 3553600 172.116 28.5737 54.9609 104.505 -13.7417 -150.056 35.1847 -53.4787 291.443 PRESSAVG: 3553600 -12.4403 19.6338 -14.4013 19.6337 37.8191 42.4941 -14.4013 42.4941 34.7581 GPRESSAVG: 3553600 -12.5874 20.4397 -14.8793 19.5177 38.7584 43.0838 -16.1856 44.0735 33.5252 TIMING: 3553600 CPU: 11230.7, 0.00315385/step Wall: 11230.7, 0.00315385/step, 1.26715 hours remaining, 239.125000 MB of memory in use. ENERGY: 3553600 3971.0219 20730.6992 14450.0645 255.1000 -203376.1083 2587.6892 0.0000 0.0000 52073.2680 -109308.2656 299.2658 -161381.5335 -108949.5576 299.7300 121.6038 149.9390 761848.4770 20.0456 19.8987 PRESSURE: 3553800 37.4085 74.8263 -49.7158 74.8262 144.742 200.516 -49.7154 200.515 21.0232 GPRESSURE: 3553800 10.0056 -67.9197 -104.368 165.429 201.995 163.458 4.63529 -20.9216 88.1994 PRESSAVG: 3553800 12.7551 28.9608 2.76429 28.9608 19.8256 39.9856 2.76431 39.9856 -33.284 GPRESSAVG: 3553800 11.7943 27.0464 2.69955 29.1543 19.8348 41.7025 3.61127 36.8488 -32.1608 TIMING: 3553800 CPU: 11231.3, 0.00316293/step Wall: 11231.3, 0.00316293/step, 1.27062 hours remaining, 239.125000 MB of memory in use. ENERGY: 3553800 4023.6763 20734.0423 14393.5335 240.2294 -203759.8930 2801.1241 0.0000 0.0000 52167.3251 -109399.9623 299.8063 -161567.2874 -109038.5282 299.8660 67.7246 100.0667 762517.4538 -0.2344 -0.1773 PRESSURE: 3554000 -230.211 115.074 5.28292 115.074 -184.436 -127.772 5.28285 -127.772 -116.155 GPRESSURE: 3554000 -171.651 90.0277 -71.0544 58.2006 -192.118 -70.1044 30.4318 -99.0899 -93.6597 PRESSAVG: 3554000 -40.3177 58.207 24.581 58.207 59.0102 -24.2458 24.5809 -24.2458 -5.10513 GPRESSAVG: 3554000 -39.382 59.1696 25.928 57.1804 58.0934 -26.054 23.3723 -20.9423 -4.90253 TIMING: 3554000 CPU: 11232, 0.00319432/step Wall: 11232, 0.00319432/step, 1.28305 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3554000 4034.8999 20658.6525 14501.3223 261.4289 -203123.8932 2329.4056 0.0000 0.0000 52256.7515 -109081.4326 300.3203 -161338.1841 -108725.5817 300.0180 -176.9341 -152.4761 761809.1840 4.5291 4.6030 PRESSURE: 3554200 63.4786 -50.8 62.3719 -50.7986 210.238 -58.7741 62.3724 -58.7738 475.04 GPRESSURE: 3554200 82.646 -123.468 86.2866 -112.203 247.986 -124.902 105.799 -38.0464 507.709 PRESSAVG: 3554200 -10.0531 -31.9637 8.65686 -31.9637 8.55683 -17.7611 8.65694 -17.7611 15.8937 GPRESSAVG: 3554200 -10.2297 -33.3392 7.65449 -30.8443 8.74864 -18.6337 11.2789 -19.0951 15.8937 TIMING: 3554200 CPU: 11232.6, 0.00316139/step Wall: 11232.6, 0.00316139/step, 1.26965 hours remaining, 239.125000 MB of memory in use. ENERGY: 3554200 3857.3021 20567.0071 14563.3462 253.6527 -203734.3949 3048.8611 0.0000 0.0000 52225.5978 -109218.6280 300.1412 -161444.2258 -108850.4591 300.2247 249.5855 279.4467 761821.1775 4.7991 4.8042 PRESSURE: 3554400 39.2776 -165.595 -35.9902 -165.595 -136.537 113.471 -35.9905 113.472 327.089 GPRESSURE: 3554400 126.369 -52.3795 -62.676 -156.479 -192.841 13.2302 14.5495 142.212 390.554 PRESSAVG: 3554400 -22.2642 -6.42693 64.6774 -6.42688 18.598 -24.707 64.6775 -24.707 -23.6764 GPRESSAVG: 3554400 -22.2788 -6.56556 64.6092 -5.29105 18.7314 -22.64 61.6217 -22.59 -23.3735 TIMING: 3554400 CPU: 11233.2, 0.00316667/step Wall: 11233.2, 0.00316667/step, 1.27159 hours remaining, 239.125000 MB of memory in use. ENERGY: 3554400 3952.2442 20785.4692 14528.2432 256.5297 -203794.1516 2937.4080 0.0000 0.0000 52007.6112 -109326.6461 298.8885 -161334.2573 -108981.0625 299.7174 76.6100 108.0272 761268.9186 -9.1142 -8.9736 PRESSURE: 3554600 -117.336 -37.7903 47.1569 -37.7901 116.266 67.4931 47.1564 67.4923 48.1043 GPRESSURE: 3554600 -105.35 -145.957 124.571 -31.8657 128.116 99.3917 68.104 -44.5092 84.9812 PRESSAVG: 3554600 5.59859 -9.56233 -48.7167 -9.56232 -22.9085 21.5967 -48.7167 21.5967 13.0361 GPRESSAVG: 3554600 6.67751 -11.2978 -48.2679 -8.42643 -24.7079 21.2878 -48.5354 18.1542 13.5724 TIMING: 3554600 CPU: 11233.9, 0.00317167/step Wall: 11233.9, 0.00317167/step, 1.27343 hours remaining, 239.125000 MB of memory in use. ENERGY: 3554600 4023.8079 20565.6544 14447.2475 241.8838 -203524.8038 2782.2651 0.0000 0.0000 52140.5219 -109323.4232 299.6523 -161463.9451 -108957.0742 299.7122 15.6781 35.9158 761543.0218 -1.4246 -1.4860 PRESSURE: 3554800 -116.931 54.9452 143.719 54.9448 40.6583 44.0162 143.72 44.0162 242.77 GPRESSURE: 3554800 -80.5521 -1.81064 161.533 -130.076 118.594 62.1628 160.111 -119.006 204.648 PRESSAVG: 3554800 -32.5771 -52.0266 -6.54932 -52.0267 -32.2301 -36.6096 -6.54933 -36.6096 28.6023 GPRESSAVG: 3554800 -33.5068 -51.4506 -6.32338 -53.198 -30.4951 -34.9791 -3.80062 -36.5069 27.9 TIMING: 3554800 CPU: 11234.5, 0.00315644/step Wall: 11234.5, 0.00315644/step, 1.26713 hours remaining, 239.125000 MB of memory in use. ENERGY: 3554800 4006.8259 20569.6075 14418.1882 266.6372 -203338.0035 2794.1591 0.0000 0.0000 52353.1827 -108929.4030 300.8745 -161282.5856 -108561.5743 299.8432 55.4989 80.8968 761818.5953 -12.0683 -12.0340 PRESSURE: 3555000 87.7849 11.2454 -48.5791 11.2461 -0.219089 86.0711 -48.5794 86.0706 22.0239 GPRESSURE: 3555000 182.755 17.6693 -11.3751 58.3644 -90.2144 113.322 -58.1687 69.5874 107.471 PRESSAVG: 3555000 37.3795 -63.2885 -19.2425 -63.2884 -38.4492 -59.4154 -19.2425 -59.4154 18.759 GPRESSAVG: 3555000 37.2736 -62.9036 -18.4055 -61.7221 -37.3436 -60.6164 -20.8987 -57.8359 17.6395 TIMING: 3555000 CPU: 11235.1, 0.00317506/step Wall: 11235.1, 0.00317506/step, 1.27443 hours remaining, 239.125000 MB of memory in use. ENERGY: 3555000 3965.7853 20456.8180 14536.1845 262.8765 -203404.6335 2783.2879 0.0000 0.0000 52441.1282 -108958.5530 301.3799 -161399.6813 -108594.1366 300.5466 36.5299 66.6706 763072.9507 5.8964 5.8565 PRESSURE: 3555200 -64.8758 -157.598 219.231 -157.597 236.514 79.4457 219.232 79.4449 284.291 GPRESSURE: 3555200 -33.8759 -216.952 195.231 -180.687 220.557 140.566 225.87 -31.7807 350.955 PRESSAVG: 3555200 -42.3116 -47.2982 15.3011 -47.2982 3.7103 -74.4854 15.3011 -74.4855 2.24919 GPRESSAVG: 3555200 -42.1339 -47.958 14.7632 -49.182 2.40608 -75.0984 15.5111 -73.5367 3.25173 TIMING: 3555200 CPU: 11235.7, 0.00315677/step Wall: 11235.7, 0.00315677/step, 1.26692 hours remaining, 239.125000 MB of memory in use. ENERGY: 3555200 3905.2646 20550.1447 14386.4888 250.5117 -203551.1052 3076.3013 0.0000 0.0000 52286.7572 -109095.6369 300.4927 -161382.3941 -108725.8785 299.9185 151.9767 179.2121 762440.8132 -12.1174 -12.1587 PRESSURE: 3555400 74.7232 -88.3044 85.8158 -88.3051 157.656 -75.717 85.8159 -75.7178 -200.871 GPRESSURE: 3555400 105.654 -28.0702 88.3644 -138.636 165.539 -50.2853 56.8495 -64.1794 -138.196 PRESSAVG: 3555400 -30.3965 16.2416 -30.1548 16.2416 52.1722 4.89297 -30.1548 4.89298 -6.08736 GPRESSAVG: 3555400 -30.4886 16.3013 -30.6981 16.3965 51.6364 6.68669 -32.0126 2.1929 -5.50572 TIMING: 3555400 CPU: 11236.4, 0.00318247/step Wall: 11236.4, 0.00318247/step, 1.27706 hours remaining, 239.125000 MB of memory in use. ENERGY: 3555400 4044.0866 20437.4683 14416.5063 225.4595 -203666.3116 2917.0920 0.0000 0.0000 52394.0934 -109231.6054 301.1096 -161625.6988 -108865.0665 300.1486 10.5030 44.3323 761870.1022 5.2295 5.2140 PRESSURE: 3555600 238.432 127.242 -265.464 127.242 37.5633 -116.537 -265.464 -116.537 250.013 GPRESSURE: 3555600 318.474 58.3835 -173.551 -10.8658 64.503 -168.261 -50.2907 -17.0015 234.252 PRESSAVG: 3555600 6.37403 19.9295 -47.9157 19.9295 20.3075 9.92156 -47.9157 9.92159 -6.69242 GPRESSAVG: 3555600 6.65055 19.8804 -47.9793 20.6307 20.6984 8.54475 -45.6551 12.7735 -7.52202 TIMING: 3555600 CPU: 11237, 0.0031688/step Wall: 11237, 0.0031688/step, 1.27139 hours remaining, 239.125000 MB of memory in use. ENERGY: 3555600 4006.4659 20627.5120 14453.1510 239.9603 -203931.3175 2977.1485 0.0000 0.0000 52386.5358 -109240.5441 301.0661 -161627.0798 -108874.2480 300.1250 175.3361 205.7430 760123.9051 6.6630 6.6090 PRESSURE: 3555800 -129.234 -164.343 -206.566 -164.343 243.568 167.918 -206.567 167.919 146.147 GPRESSURE: 3555800 -107.659 -169.277 -129.798 -129.821 303.821 176.173 -229.892 78.9172 139.798 PRESSAVG: 3555800 -67.6903 22.9449 -66.8911 22.9449 38.9879 38.9549 -66.8911 38.9549 5.85077 GPRESSAVG: 3555800 -66.742 24.1449 -66.4456 21.3786 38.9111 37.6797 -67.7193 37.8753 4.92832 TIMING: 3555800 CPU: 11237.7, 0.00319909/step Wall: 11237.7, 0.00319909/step, 1.28337 hours remaining, 239.125000 MB of memory in use. ENERGY: 3555800 3980.6252 20580.0793 14570.4777 263.3224 -203444.7102 2670.9978 0.0000 0.0000 52278.5919 -109100.6158 300.4458 -161379.2077 -108721.1903 300.0608 86.8270 111.9866 762002.8712 -7.6172 -7.6342 PRESSURE: 3556000 -61.2333 -192.513 -102.993 -192.513 -256.22 75.3992 -102.992 75.3978 -392.602 GPRESSURE: 3556000 -119.819 -205.609 -120.41 -75.5778 -145.371 -11.785 -19.6324 106.847 -352.122 PRESSAVG: 3556000 28.2306 -47.3216 -30.2102 -47.3216 -52.7034 -24.9632 -30.2103 -24.9631 14.9367 GPRESSAVG: 3556000 27.1867 -47.8413 -31.0059 -45.818 -52.9331 -23.6579 -28.9489 -25.8754 16.2119 TIMING: 3556000 CPU: 11238.3, 0.00314369/step Wall: 11238.3, 0.00314369/step, 1.26097 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3556000 4019.2892 20851.0574 14472.1405 244.1531 -203277.0898 2563.4872 0.0000 0.0000 51984.5046 -109142.4577 298.7557 -161126.9623 -108785.7057 300.2337 -236.6850 -205.7707 761173.5572 -3.1787 -3.1782 PRESSURE: 3556200 -161.074 152.331 -201.395 152.332 -151.536 -219.543 -201.395 -219.543 111.818 GPRESSURE: 3556200 -114.627 139.533 -135.058 223.802 -76.9767 -346.334 -195.614 -154.5 71.9729 PRESSAVG: 3556200 45.6872 -0.656103 -38.7397 -0.65609 -51.3436 7.60585 -38.7397 7.60584 8.18645 GPRESSAVG: 3556200 46.2286 0.465947 -38.345 -2.34931 -50.7834 8.17172 -40.2234 8.47935 7.13062 TIMING: 3556200 CPU: 11238.9, 0.00314152/step Wall: 11238.9, 0.00314151/step, 1.25992 hours remaining, 239.125000 MB of memory in use. ENERGY: 3556200 4048.5976 20545.4625 14438.9346 243.1875 -203091.9183 2437.0760 0.0000 0.0000 52428.0377 -108950.6225 301.3047 -161378.6601 -108582.1232 300.6445 -66.9309 -39.8771 762504.2818 0.8434 0.8586 LDB: ============= START OF LOAD BALANCING ============== 11251.3 LDB: ============== END OF LOAD BALANCING =============== 11251.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11251.3 LDB: ============= START OF LOAD BALANCING ============== 11251.6 LDB: Largest compute 7068 load 0.033571 is 17.1% of average load 0.195923 LDB: Average compute 0.004404 is 2.2% of average load 0.195923 LDB: TIME 11251.6 LOAD: AVG 0.195923 MAX 0.216879 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.727 MB LDB: TIME 11251.6 LOAD: AVG 0.195923 MAX 0.216879 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: TIME 11251.6 LOAD: AVG 0.195923 MAX 0.216879 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: ============== END OF LOAD BALANCING =============== 11251.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11251.6 PRESSURE: 3556400 -83.8481 -121.74 31.9105 -121.74 34.3637 -237.518 31.9107 -237.517 229.535 GPRESSURE: 3556400 -112.795 -139.881 106.725 -192.995 125.097 -271.632 -29.5834 -295.906 249.467 PRESSAVG: 3556400 20.442 21.4013 -48.0762 21.4013 -4.52092 -33.6301 -48.0762 -33.63 -11.2161 GPRESSAVG: 3556400 20.104 19.6343 -48.9105 23.9802 -4.01083 -35.5792 -48.8893 -32.9705 -10.8875 TIMING: 3556400 CPU: 11239.6, 0.0032112/step Wall: 11239.6, 0.0032112/step, 1.28769 hours remaining, 238.355469 MB of memory in use. ENERGY: 3556400 4029.1708 20566.6498 14455.4600 247.9900 -202973.3932 2552.6399 0.0000 0.0000 52049.9796 -109071.5031 299.1319 -161121.4827 -108712.0696 300.5562 60.0168 87.2565 763552.4315 1.5683 1.7352 PRESSURE: 3556600 152.116 104.704 -388.31 104.705 121.756 -54.0534 -388.31 -54.0544 -2.65149 GPRESSURE: 3556600 152.789 24.466 -399.582 10.5712 206.468 -99.1705 -299.499 -57.9341 -34.1149 PRESSAVG: 3556600 8.69082 61.9617 -5.57799 61.9618 -2.0823 -28.3152 -5.57808 -28.3153 13.4444 GPRESSAVG: 3556600 8.72765 62.5138 -4.45786 60.4891 -2.93853 -28.4597 -5.6986 -28.366 14.2057 TIMING: 3556600 CPU: 11240.2, 0.00313767/step Wall: 11240.2, 0.00313767/step, 1.25803 hours remaining, 238.558594 MB of memory in use. ENERGY: 3556600 3934.2330 20641.3104 14434.1731 254.4513 -203222.4081 2562.1361 0.0000 0.0000 52263.8785 -109132.2258 300.3612 -161396.1043 -108756.2061 300.5503 90.4067 108.3806 762382.1812 6.6843 6.6649 PRESSURE: 3556800 -281.204 64.5353 -75.1372 64.5354 21.7949 120.705 -75.1375 120.704 34.4264 GPRESSURE: 3556800 -177.464 -118.622 44.9988 161.851 36.2199 80.8148 -134.874 -16.3971 -2.42675 PRESSAVG: 3556800 42.6379 14.4582 -37.0384 14.4583 -19.24 -41.2669 -37.0384 -41.2669 4.07233 GPRESSAVG: 3556800 42.6553 13.1042 -36.0421 15.272 -18.839 -39.7445 -36.3921 -41.0973 4.2718 TIMING: 3556800 CPU: 11240.8, 0.00315025/step Wall: 11240.8, 0.00315025/step, 1.2629 hours remaining, 238.558594 MB of memory in use. ENERGY: 3556800 3993.9175 20595.1904 14412.8092 244.7473 -203166.8160 2422.1174 0.0000 0.0000 52106.8542 -109391.1799 299.4588 -161498.0341 -109030.8459 299.9275 -74.9943 -47.8904 762848.4557 9.1567 9.3627 PRESSURE: 3557000 154.278 243.995 -84.2954 243.995 -143.208 120.992 -84.2966 120.992 241.596 GPRESSURE: 3557000 129.643 241.742 -155.216 165.221 -63.9252 137.533 -160.284 35.9559 259.685 PRESSAVG: 3557000 -20.0972 -26.5358 -30.0606 -26.5358 -22.2931 -7.83988 -30.0605 -7.83982 -1.67973 GPRESSAVG: 3557000 -20.8723 -27.5101 -32.7856 -27.0073 -21.2474 -8.3993 -29.5515 -9.26987 -2.0491 TIMING: 3557000 CPU: 11241.4, 0.0031366/step Wall: 11241.4, 0.0031366/step, 1.25725 hours remaining, 238.558594 MB of memory in use. ENERGY: 3557000 3928.6476 20615.6478 14461.9981 244.9109 -203371.1971 2759.0109 0.0000 0.0000 52339.3437 -109021.6381 300.7949 -161360.9818 -108650.4109 300.3190 84.2223 108.4677 764307.7179 -14.6900 -14.7229 PRESSURE: 3557200 -28.128 -135.939 -25.9886 -135.939 145.895 179.618 -25.9889 179.618 -360.952 GPRESSURE: 3557200 16.7259 -154.463 75.4678 -223.019 168.368 139.639 -134.145 206.404 -331.715 PRESSAVG: 3557200 -21.5744 3.61351 -71.7731 3.6135 -10.7651 -10.1579 -71.7731 -10.158 -8.33283 GPRESSAVG: 3557200 -21.0039 6.29507 -69.4034 2.70184 -12.0893 -8.45211 -71.0382 -8.58076 -7.80257 TIMING: 3557200 CPU: 11242.1, 0.00312507/step Wall: 11242.1, 0.00312507/step, 1.25246 hours remaining, 238.558594 MB of memory in use. ENERGY: 3557200 3945.2837 20563.0052 14398.7499 268.4643 -203119.3084 2630.5731 0.0000 0.0000 52219.1714 -109094.0607 300.1043 -161313.2321 -108727.4431 300.4262 -81.0616 -48.8736 764583.9174 -13.5575 -13.6319 PRESSURE: 3557400 46.3416 -38.6604 -245.344 -38.6612 -138.909 -24.5997 -245.344 -24.5988 -655.915 GPRESSURE: 3557400 65.0772 -51.6861 -138.936 -21.177 -162.719 -82.0299 -242.601 15.3621 -569.63 PRESSAVG: 3557400 7.07139 8.26274 -36.172 8.26271 12.2928 -8.65783 -36.172 -8.65772 16.0874 GPRESSAVG: 3557400 8.95334 7.1128 -36.2828 9.82831 11.5068 -9.5481 -38.1063 -10.4482 14.8157 TIMING: 3557400 CPU: 11242.7, 0.00313257/step Wall: 11242.7, 0.00313257/step, 1.25529 hours remaining, 238.558594 MB of memory in use. ENERGY: 3557400 4022.8465 20684.7350 14392.0270 234.2259 -203367.6623 2612.5435 0.0000 0.0000 52109.7419 -109311.5426 299.4754 -161421.2844 -108947.3083 300.2583 -249.4943 -222.4239 761371.8289 11.8172 11.7586 PRESSURE: 3557600 -137.576 150.417 67.1447 150.417 19.1695 92.3671 67.1454 92.3669 -106.277 GPRESSURE: 3557600 -110.24 110.865 -3.73918 96.9902 44.2421 103.598 -50.9477 115.241 -76.8501 PRESSAVG: 3557600 2.25899 20.5741 7.42209 20.5741 11.939 -71.4096 7.42204 -71.4096 14.1719 GPRESSAVG: 3557600 -0.633532 21.7619 8.20291 17.0716 13.5236 -70.5474 7.73494 -68.6683 15.2833 TIMING: 3557600 CPU: 11243.3, 0.00314019/step Wall: 11243.3, 0.00314019/step, 1.25817 hours remaining, 238.558594 MB of memory in use. ENERGY: 3557600 3998.0992 20660.3124 14496.5268 253.6861 -203470.3222 2588.3758 0.0000 0.0000 52197.3724 -109275.9494 299.9790 -161473.3218 -108906.6353 300.0217 -74.8944 -47.6160 760893.0831 9.4566 9.3911 PRESSURE: 3557800 184.707 62.7252 13.5129 62.725 -234.58 41.5834 13.5134 41.5844 242.349 GPRESSURE: 3557800 233.732 27.5061 -35.4691 159.133 -136.771 81.1314 38.3489 -24.1185 177.422 PRESSAVG: 3557800 73.0507 8.83901 5.17747 8.83907 -33.2972 -46.0167 5.1774 -46.0167 -4.505 GPRESSAVG: 3557800 74.5316 7.71206 2.82342 8.5677 -33.7846 -46.6447 6.07063 -48.0216 -5.22819 TIMING: 3557800 CPU: 11244, 0.00315496/step Wall: 11244, 0.00315496/step, 1.26391 hours remaining, 238.558594 MB of memory in use. ENERGY: 3557800 4028.1279 20616.9777 14446.2902 258.6788 -203776.2924 2916.0270 0.0000 0.0000 52189.1984 -109320.9925 299.9320 -161510.1909 -108957.3635 299.9703 64.1585 91.4610 761135.9535 11.7495 11.8396 PRESSURE: 3558000 -181.677 -57.5134 -74.3699 -57.5127 -300.821 -8.59785 -74.3696 -8.59796 20.8298 GPRESSURE: 3558000 -191.106 29.8751 -15.703 -7.73478 -195.117 -81.1792 13.3775 54.294 15.2049 PRESSAVG: 3558000 -11.4548 51.5246 1.97638 51.5246 -26.7809 -26.708 1.97641 -26.708 -2.1902 GPRESSAVG: 3558000 -11.6293 52.7979 2.6872 54.6759 -25.2441 -27.8895 2.51371 -26.7813 -2.87221 TIMING: 3558000 CPU: 11244.6, 0.00317115/step Wall: 11244.6, 0.00317115/step, 1.27022 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3558000 4010.9924 20522.7160 14455.0178 259.3221 -203436.4768 2670.8830 0.0000 0.0000 52287.2353 -109230.3101 300.4955 -161517.5454 -108857.8093 300.2693 -153.8894 -123.6726 762948.5237 -13.4753 -13.2485 PRESSURE: 3558200 193.572 -51.5863 149.28 -51.5859 -372.006 33.9657 149.279 33.9655 316.359 GPRESSURE: 3558200 226.005 -48.3869 127.443 44.0015 -235.795 1.04273 49.8838 21.6876 227.409 PRESSAVG: 3558200 -25.3909 -56.2981 -4.22405 -56.298 11.7802 -3.86521 -4.224 -3.86518 -24.6141 GPRESSAVG: 3558200 -25.5367 -57.3096 -3.31133 -58.7296 11.0448 -2.94225 -6.37049 -3.23988 -23.6325 TIMING: 3558200 CPU: 11245.2, 0.00316223/step Wall: 11245.2, 0.00316223/step, 1.26647 hours remaining, 238.558594 MB of memory in use. ENERGY: 3558200 3984.6304 20645.2066 14399.5171 227.0918 -203114.1444 2454.6739 0.0000 0.0000 52393.1709 -109009.8539 301.1043 -161403.0248 -108659.6317 300.5246 45.9751 72.5395 759549.6952 -12.7416 -12.7081 PRESSURE: 3558400 -347.403 96.2708 -170.437 96.2696 -82.4428 279.105 -170.437 279.105 68.236 GPRESSURE: 3558400 -282.629 36.4429 -154.782 29.1512 -24.3112 259.957 -231.263 209.942 46.9739 PRESSAVG: 3558400 -1.16829 28.2849 -38.8239 28.2849 -11.1967 44.8162 -38.8239 44.8162 -15.5109 GPRESSAVG: 3558400 -1.85588 28.4509 -40.1595 28.7751 -11.7323 45.4678 -38.1521 43.1834 -14.342 TIMING: 3558400 CPU: 11245.9, 0.00316611/step Wall: 11245.9, 0.00316611/step, 1.26785 hours remaining, 238.558594 MB of memory in use. ENERGY: 3558400 4014.4064 20547.6484 14458.1725 267.1641 -203288.6058 2637.4058 0.0000 0.0000 52376.9955 -108986.8130 301.0113 -161363.8085 -108622.7980 300.5745 -120.5365 -86.6555 761401.4550 -9.2919 -9.3101 PRESSURE: 3558600 -113.226 -77.4928 -49.0771 -77.4931 59.5127 -109.106 -49.0774 -109.104 -291.92 GPRESSURE: 3558600 -80.6542 -41.0662 64.6072 -49.2646 71.0303 -59.9618 -30.4341 -122.922 -229.31 PRESSAVG: 3558600 -1.43186 10.7083 -32.8445 10.7083 4.74153 30.5177 -32.8445 30.5177 0.919413 GPRESSAVG: 3558600 -0.223858 11.1119 -33.0265 12.3444 4.84144 28.7196 -33.9556 30.6447 0.18363 TIMING: 3558600 CPU: 11246.5, 0.00316448/step Wall: 11246.5, 0.00316448/step, 1.26702 hours remaining, 238.558594 MB of memory in use. ENERGY: 3558600 4019.8388 20571.5871 14461.1613 257.9401 -203452.9105 2571.5611 0.0000 0.0000 52405.7926 -109165.0296 301.1768 -161570.8222 -108799.3913 300.3178 -115.2111 -79.6448 761290.0495 1.4097 1.6004 PRESSURE: 3558800 113.9 77.1982 -94.2575 77.1987 192.822 102.268 -94.2577 102.267 -150.347 GPRESSURE: 3558800 157.166 82.7485 -18.1136 22.2364 233.97 109.448 -111.567 44.8619 -134.587 PRESSAVG: 3558800 -20.3596 -26.7558 -41.2005 -26.7558 7.78496 -54.577 -41.2006 -54.577 -14.512 GPRESSAVG: 3558800 -19.6724 -27.6637 -40.4251 -28.7928 7.98107 -53.2348 -40.356 -52.9582 -15.2032 TIMING: 3558800 CPU: 11247.1, 0.00316875/step Wall: 11247.1, 0.00316875/step, 1.26856 hours remaining, 238.558594 MB of memory in use. ENERGY: 3558800 3995.9364 20637.1514 14560.9080 238.6781 -203422.9382 2733.7299 0.0000 0.0000 52237.0585 -109019.4759 300.2071 -161256.5344 -108653.4669 300.7107 52.1253 85.5162 761983.5487 -9.0289 -8.9649 PRESSURE: 3559000 -99.7131 95.7137 25.7297 95.7136 -85.684 197.326 25.7298 197.326 -104.697 GPRESSURE: 3559000 -72.7 112.54 107.25 95.9925 -86.9814 231.332 -43.0468 199.533 -40.8749 PRESSAVG: 3559000 -4.06803 38.7178 18.0979 38.7178 -12.7452 8.23206 18.0979 8.23209 3.90449 GPRESSAVG: 3559000 -3.95697 40.1275 18.4781 39.0007 -12.8118 8.24347 16.8669 7.74392 4.45192 TIMING: 3559000 CPU: 11247.8, 0.00317239/step Wall: 11247.8, 0.00317239/step, 1.26984 hours remaining, 238.558594 MB of memory in use. ENERGY: 3559000 3953.7264 20622.3928 14449.0226 268.3351 -203165.7761 2462.0736 0.0000 0.0000 52412.4224 -108997.8032 301.2149 -161410.2256 -108630.6705 301.0112 -96.6979 -66.8521 760115.5121 -4.3029 -4.1056 PRESSURE: 3559200 193.609 359.336 69.8754 359.336 -124.702 -144.742 69.8748 -144.741 9.04708 GPRESSURE: 3559200 209.49 301.222 33.9916 329.624 -112.245 -168.305 166.254 -189.493 55.5579 PRESSAVG: 3559200 66.5585 79.202 54.4087 79.202 -37.2561 -30.944 54.4087 -30.9441 1.47985 GPRESSAVG: 3559200 65.7852 78.7713 55.0187 79.4678 -36.2388 -30.048 56.7718 -30.483 1.72341 TIMING: 3559200 CPU: 11248.4, 0.00318823/step Wall: 11248.4, 0.00318823/step, 1.276 hours remaining, 238.558594 MB of memory in use. ENERGY: 3559200 4062.9449 20643.3317 14494.1658 237.2072 -203116.7284 2518.1562 0.0000 0.0000 52273.3767 -108887.5458 300.4158 -161160.9226 -108528.4815 300.5714 25.9847 50.9341 759403.1455 10.2607 10.4233 PRESSURE: 3559400 170.999 78.5862 0.636387 78.5859 -222.316 341.891 0.636296 341.892 -12.1213 GPRESSURE: 3559400 208.146 101.412 40.2193 59.2231 -166.97 382.727 -52.1888 294.228 -20.4836 PRESSAVG: 3559400 35.2031 -4.10254 -28.2407 -4.10255 16.1404 31.982 -28.2407 31.9821 40.1463 GPRESSAVG: 3559400 34.9355 -3.71587 -27.8089 -3.29838 17.3583 30.1245 -28.4823 30.605 39.8085 TIMING: 3559400 CPU: 11249, 0.0031654/step Wall: 11249, 0.0031654/step, 1.26669 hours remaining, 238.558594 MB of memory in use. ENERGY: 3559400 4000.7574 20632.6417 14434.5991 232.4587 -203176.3936 2649.0055 0.0000 0.0000 52414.5007 -108812.4305 301.2269 -161226.9312 -108452.3155 300.5049 -21.1459 6.8976 760646.8251 30.4966 30.7007 PRESSURE: 3559600 -142.581 -69.9497 130.053 -69.9498 -175.44 -69.3755 130.053 -69.374 -158.316 GPRESSURE: 3559600 -95.4609 -146.949 193.546 -98.7941 -50.936 -25.6191 124.938 13.4521 -230.576 PRESSAVG: 3559600 -17.9085 -8.4425 25.7234 -8.44251 24.9343 -4.99319 25.7233 -4.99319 -3.88511 GPRESSAVG: 3559600 -16.5487 -10.2635 24.4101 -9.70321 23.1685 -3.0068 23.7799 -3.47504 -3.06838 TIMING: 3559600 CPU: 11249.7, 0.00317069/step Wall: 11249.7, 0.00317069/step, 1.26863 hours remaining, 238.558594 MB of memory in use. ENERGY: 3559600 4054.1452 20507.8810 14400.4583 250.6836 -202752.3649 2424.2719 0.0000 0.0000 52372.3860 -108742.5389 300.9848 -161114.9248 -108379.7683 300.8486 -158.7791 -125.6576 762244.9282 1.0469 1.1838 PRESSURE: 3559800 111.455 277.914 -54.1257 277.914 57.2652 33.7902 -54.1259 33.7892 -12.3703 GPRESSURE: 3559800 88.5833 269.489 23.8002 189.783 142.573 139.982 -83.5917 3.01149 -28.9195 PRESSAVG: 3559800 26.0733 -2.65327 21.6906 -2.6532 9.01155 -8.3685 21.6906 -8.36842 -0.7241 GPRESSAVG: 3559800 24.4893 0.296885 22.2905 -3.13575 11.0551 -10.2656 22.7814 -7.40658 -1.47821 TIMING: 3559800 CPU: 11250.3, 0.00324425/step Wall: 11250.3, 0.00324425/step, 1.29788 hours remaining, 238.558594 MB of memory in use. ENERGY: 3559800 3999.2876 20805.5874 14468.7162 232.2946 -203438.8884 2725.8982 0.0000 0.0000 52484.7563 -108722.3481 301.6306 -161207.1044 -108362.0482 301.4197 52.1165 67.4124 762112.7774 11.4536 11.3554 PRESSURE: 3560000 144.82 57.0998 15.7038 57.0987 150.585 -292.591 15.704 -292.591 265.076 GPRESSURE: 3560000 261.408 -11.4891 -126.015 63.8619 117.573 -365.357 66.3577 -209.898 256.191 PRESSAVG: 3560000 6.21931 0.0397342 -11.1749 0.0397292 12.0866 -16.9983 -11.1749 -16.9983 -7.926 GPRESSAVG: 3560000 6.30714 -1.20859 -13.3108 -0.995186 11.3902 -16.1196 -9.42984 -16.2313 -7.36588 TIMING: 3560000 CPU: 11250.9, 0.00318227/step Wall: 11250.9, 0.00318227/step, 1.27291 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3560000 3913.3036 20747.2829 14485.5671 257.3159 -203389.8799 2657.6142 0.0000 0.0000 52438.8951 -108889.9011 301.3671 -161328.7962 -108521.0168 300.3259 186.8272 211.7242 760632.4561 3.4600 3.4438 PRESSURE: 3560200 184.524 -99.6062 -76.9392 -99.6061 69.339 75.1237 -76.9383 75.1236 28.738 GPRESSURE: 3560200 324.189 86.6875 -45.7068 -78.6776 63.7161 38.7551 29.3509 57.2742 -26.3412 PRESSAVG: 3560200 -15.8536 22.302 -13.5833 22.302 4.64407 -31.1906 -13.5834 -31.1906 11.5143 GPRESSAVG: 3560200 -13.9409 23.6179 -11.6584 24.9094 3.05619 -32.3044 -17.4005 -31.1695 11.4627 TIMING: 3560200 CPU: 11251.6, 0.00317032/step Wall: 11251.6, 0.00317032/step, 1.26795 hours remaining, 238.558594 MB of memory in use. ENERGY: 3560200 3991.2209 20618.0359 14509.7332 254.4048 -203444.2925 2736.7274 0.0000 0.0000 52283.0210 -109051.1492 300.4712 -161334.1703 -108678.0928 300.2783 94.2003 120.5213 760442.5063 0.1016 0.1927 LDB: ============= START OF LOAD BALANCING ============== 11264 LDB: ============== END OF LOAD BALANCING =============== 11264 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11264 LDB: ============= START OF LOAD BALANCING ============== 11264.3 LDB: Largest compute 7068 load 0.033133 is 16.9% of average load 0.196105 LDB: Average compute 0.004398 is 2.2% of average load 0.196105 LDB: TIME 11264.3 LOAD: AVG 0.196105 MAX 0.215968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 11264.3 LOAD: AVG 0.196105 MAX 0.215968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 11264.3 LOAD: AVG 0.196105 MAX 0.215968 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 11264.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11264.3 PRESSURE: 3560400 -167.788 111.521 -52.8949 111.521 -243.025 23.1668 -52.8952 23.1653 57.7855 GPRESSURE: 3560400 -168.301 185.074 -1.2217 151.521 -163.682 17.5689 -44.0387 57.2459 66.5907 PRESSAVG: 3560400 -17.2159 3.90088 -41.8346 3.90094 35.7001 -22.0306 -41.8347 -22.0306 -7.55257 GPRESSAVG: 3560400 -18.1098 2.64282 -42.4126 4.67135 37.0035 -20.4423 -37.4251 -24.1882 -7.81764 TIMING: 3560400 CPU: 11252.2, 0.00326716/step Wall: 11252.2, 0.00326716/step, 1.3065 hours remaining, 238.355469 MB of memory in use. ENERGY: 3560400 4046.2422 20572.0077 14429.4792 253.6239 -203385.7934 2702.8434 0.0000 0.0000 52233.4521 -109148.1449 300.1864 -161381.5970 -108778.4905 300.2141 -117.6759 -88.4640 760959.7952 3.6439 3.6920 PRESSURE: 3560600 255.514 34.5302 334.208 34.5312 129.162 -52.1054 334.207 -52.1045 39.5133 GPRESSURE: 3560600 254.023 56.0514 312.176 -1.22273 93.6368 -168.419 108.704 -99.7583 155.295 PRESSAVG: 3560600 1.04035 -16.419 -17.3678 -16.4191 -13.2736 -25.1978 -17.3678 -25.1978 -11.1762 GPRESSAVG: 3560600 1.31851 -15.96 -17.3703 -17.0441 -13.9982 -26.2063 -20.3994 -25.3119 -10.7828 TIMING: 3560600 CPU: 11252.9, 0.00316569/step Wall: 11252.9, 0.00316569/step, 1.26575 hours remaining, 238.558594 MB of memory in use. ENERGY: 3560600 3984.6724 20806.0496 14470.7480 262.5531 -203925.6369 3046.1909 0.0000 0.0000 52358.0342 -108997.3887 300.9023 -161355.4229 -108637.2372 300.2185 141.3964 167.6514 760492.6508 -7.8032 -7.8208 PRESSURE: 3560800 -140.268 -213.143 114.365 -213.146 250.116 -11.2974 114.365 -11.2981 -19.3896 GPRESSURE: 3560800 -50.8805 -126.312 115.206 -235.986 229.984 72.3134 213.425 9.99478 2.3099 PRESSAVG: 3560800 13.1771 -10.8455 49.1765 -10.8455 2.43463 -1.22598 49.1765 -1.2261 11.5162 GPRESSAVG: 3560800 13.1931 -11.6261 49.8475 -11.7328 3.14012 0.792534 48.9495 0.378215 11.1509 TIMING: 3560800 CPU: 11253.5, 0.00316188/step Wall: 11253.5, 0.00316188/step, 1.26405 hours remaining, 238.558594 MB of memory in use. ENERGY: 3560800 4050.6534 20473.9644 14482.1332 246.2201 -203248.0334 2699.1285 0.0000 0.0000 52181.5627 -109114.3710 299.8882 -161295.9337 -108738.7873 300.1177 30.1527 60.4710 761563.4885 9.0426 9.1614 PRESSURE: 3561000 175.666 117.415 102.171 117.415 92.7944 -14.0045 102.17 -14.0043 -228.735 GPRESSURE: 3561000 209.781 47.5032 157.735 48.7211 92.3399 5.08019 -6.79246 102.882 -187.401 PRESSAVG: 3561000 35.6506 -22.9763 50.933 -22.9763 34.9899 11.6361 50.933 11.6362 3.04068 GPRESSAVG: 3561000 35.627 -20.3997 52.6293 -23.4953 34.1399 9.63228 51.9614 11.3041 3.55179 TIMING: 3561000 CPU: 11254.1, 0.00323878/step Wall: 11254.1, 0.00323878/step, 1.29461 hours remaining, 238.558594 MB of memory in use. ENERGY: 3561000 3999.3279 20565.5590 14495.7890 256.3850 -203118.4547 2445.8833 0.0000 0.0000 51878.3015 -109477.2090 298.1453 -161355.5105 -109120.4618 299.7146 13.2419 38.2400 761835.9901 24.5604 24.4396 PRESSURE: 3561200 25.2401 60.7191 78.3018 60.7184 -185.395 103.775 78.3002 103.774 244.947 GPRESSURE: 3561200 -13.9371 17.3161 38.1504 87.5423 -202.266 128.501 122.747 -100.068 379.522 PRESSAVG: 3561200 40.3276 -39.0281 -11.1019 -39.0281 -13.9523 -82.0756 -11.1019 -82.0757 -21.8122 GPRESSAVG: 3561200 39.4436 -41.8485 -12.6027 -37.6238 -14.1058 -81.9631 -11.7644 -83.4863 -20.9927 TIMING: 3561200 CPU: 11254.8, 0.00318262/step Wall: 11254.8, 0.00318262/step, 1.27199 hours remaining, 238.558594 MB of memory in use. ENERGY: 3561200 3979.6614 20542.4269 14550.1245 266.8123 -203145.5848 2338.5324 0.0000 0.0000 52193.4245 -109274.6028 299.9563 -161468.0273 -108916.4929 299.5179 28.2641 54.4398 761149.7650 1.5210 1.4484 PRESSURE: 3561400 13.0535 -74.0299 -2.98625 -74.0302 38.431 71.8793 -2.98613 71.8793 62.9523 GPRESSURE: 3561400 100.523 -78.5853 16.408 -0.24375 50.1373 144.409 4.27018 97.0296 77.4254 PRESSAVG: 3561400 11.634 7.86035 -24.5994 7.86036 -53.4038 -37.2586 -24.5994 -37.2586 -13.8324 GPRESSAVG: 3561400 10.9538 8.55337 -22.8052 8.40425 -51.6941 -37.473 -23.3823 -36.866 -15.4509 TIMING: 3561400 CPU: 11255.4, 0.00319792/step Wall: 11255.4, 0.00319792/step, 1.27792 hours remaining, 238.558594 MB of memory in use. ENERGY: 3561400 4114.6041 20567.4535 14432.3225 253.6723 -203720.6089 2759.3463 0.0000 0.0000 52172.8664 -109420.3438 299.8382 -161593.2102 -109064.6488 299.6159 38.1456 76.0287 758751.8026 -18.5341 -18.7304 PRESSURE: 3561600 -310.812 -193.897 -34.1336 -193.896 -59.5379 -74.6544 -34.1336 -74.6547 -426.619 GPRESSURE: 3561600 -223.342 -294.604 -24.7831 -161.525 -47.58 34.614 -59.9161 -110.777 -453.607 PRESSAVG: 3561600 7.04808 -6.07018 -2.39577 -6.07019 -3.00778 -38.9838 -2.39574 -38.9837 -4.31853 GPRESSAVG: 3561600 7.63635 -6.37241 -3.77746 -5.39972 -3.96947 -38.9073 -2.12794 -38.4609 -3.86329 TIMING: 3561600 CPU: 11256.1, 0.00327758/step Wall: 11256.1, 0.00327758/step, 1.30958 hours remaining, 238.558594 MB of memory in use. ENERGY: 3561600 4019.5279 20598.9449 14488.3525 240.4949 -202802.5145 2199.1400 0.0000 0.0000 52213.3066 -109042.7477 300.0706 -161256.0543 -108678.7048 300.0354 -265.6564 -241.5096 761426.3593 -0.0927 -0.0655 PRESSURE: 3561800 27.9548 -138.947 111.44 -138.947 -63.3869 56.6739 111.439 56.6741 201.206 GPRESSURE: 3561800 12.9567 -71.7825 184.324 -78.3085 31.2537 70.2552 164.732 144.291 201.122 PRESSAVG: 3561800 36.4271 80.316 10.0534 80.316 25.2817 -18.4671 10.0534 -18.4671 5.7514 GPRESSAVG: 3561800 37.6923 79.5345 9.50258 81.0711 24.948 -18.1375 9.74975 -19.0675 5.02261 TIMING: 3561800 CPU: 11256.7, 0.00329619/step Wall: 11256.7, 0.00329618/step, 1.31683 hours remaining, 238.558594 MB of memory in use. ENERGY: 3561800 3972.3980 20644.4002 14401.2225 252.9881 -202746.3017 2425.2800 0.0000 0.0000 52230.5166 -108819.4963 300.1695 -161050.0129 -108454.8517 300.6241 55.2581 81.7774 762220.0731 22.4867 22.5543 PRESSURE: 3562000 57.4029 -102.201 69.8521 -102.201 236.013 -129.459 69.8521 -129.46 62.1338 GPRESSURE: 3562000 114.882 -77.6985 107.021 -84.3671 258.934 -156.411 2.46287 -114.83 52.605 PRESSAVG: 3562000 -35.2409 23.6587 52.8994 23.6587 64.3884 -48.6635 52.8996 -48.6636 -15.8216 GPRESSAVG: 3562000 -35.8593 23.212 53.4975 22.2813 65.1803 -48.3847 52.5831 -47.4274 -16.3043 TIMING: 3562000 CPU: 11257.4, 0.00317537/step Wall: 11257.4, 0.00317537/step, 1.26838 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3562000 3936.2622 20492.9035 14533.2259 247.5654 -203236.8093 2610.6562 0.0000 0.0000 52333.1787 -109083.0175 300.7595 -161416.1962 -108720.4305 300.8829 118.5166 142.1404 759538.4853 4.4420 4.3389 PRESSURE: 3562200 -615.755 158.21 46.0692 158.21 -216.359 -159.064 46.0706 -159.065 -194.539 GPRESSURE: 3562200 -551.96 95.1679 72.5467 96.6731 -143.665 -162.487 64.0384 -151.04 -229.265 PRESSAVG: 3562200 -28.1775 29.2772 25.6443 29.2773 20.9976 -100.481 25.6443 -100.481 9.99506 GPRESSAVG: 3562200 -28.8967 31.5963 25.325 27.9653 20.4079 -100.921 26.12 -101.329 10.7587 TIMING: 3562200 CPU: 11258, 0.00317406/step Wall: 11258, 0.00317406/step, 1.26769 hours remaining, 238.558594 MB of memory in use. ENERGY: 3562200 3995.4364 20564.9994 14533.8765 243.4455 -202822.2224 2277.6930 0.0000 0.0000 52067.2192 -109139.5524 299.2310 -161206.7715 -108784.0562 300.3370 -342.2176 -308.2968 762168.4516 0.9384 0.7566 PRESSURE: 3562400 -177.851 92.0203 -238.61 92.0199 160.873 87.8616 -238.61 87.8619 246.531 GPRESSURE: 3562400 -114.652 5.87808 -283.666 23.3674 164.617 45.7936 -140.992 47.7082 261.57 PRESSAVG: 3562400 19.175 22.1843 -43.96 22.1843 -32.8023 -52.8072 -43.96 -52.8072 7.25071 GPRESSAVG: 3562400 19.0645 21.5455 -44.1273 21.9995 -32.6985 -54.3443 -44.637 -52.704 7.25538 TIMING: 3562400 CPU: 11258.7, 0.00350914/step Wall: 11258.7, 0.00350914/step, 1.40132 hours remaining, 238.558594 MB of memory in use. ENERGY: 3562400 3953.7331 20551.6606 14463.2561 247.1922 -203191.4628 2640.0330 0.0000 0.0000 52173.4444 -109162.1434 299.8415 -161335.5878 -108799.2078 300.3586 76.5179 103.8449 760693.2075 -2.1256 -2.1262 PRESSURE: 3562600 -214.906 127.739 3.09638 127.74 -65.7711 26.5171 3.09698 26.5168 119.172 GPRESSURE: 3562600 -201.038 64.7854 86.129 100.143 -49.879 -20.4007 11.7583 -22.3193 163.95 PRESSAVG: 3562600 0.981024 3.07314 -4.77695 3.07313 15.1031 1.29205 -4.77696 1.29212 -13.7333 GPRESSAVG: 3562600 1.81212 1.24833 -2.94799 5.87507 14.8282 3.49716 -4.5873 0.256038 -14.0907 TIMING: 3562600 CPU: 11259.4, 0.00344639/step Wall: 11259.4, 0.00344639/step, 1.37607 hours remaining, 238.558594 MB of memory in use. ENERGY: 3562600 4038.2799 20502.3094 14456.2144 238.6866 -203363.9750 2677.1289 0.0000 0.0000 52215.3619 -109235.9939 300.0824 -161451.3559 -108863.0101 299.9664 -53.8351 -28.9888 762129.1624 0.7836 0.8499 PRESSURE: 3562800 33.0198 -32.6894 -52.3403 -32.6892 -1.40402 109.434 -52.3399 109.434 218.332 GPRESSURE: 3562800 75.8744 -41.7703 -42.8694 12.1268 9.96736 109.827 27.2729 130.306 239.592 PRESSAVG: 3562800 -46.0439 22.951 4.56416 22.9509 65.3904 9.97848 4.56416 9.97845 12.5156 GPRESSAVG: 3562800 -45.8658 23.7288 3.56455 21.7743 65.0169 10.257 6.0959 9.942 12.6826 TIMING: 3562800 CPU: 11260, 0.00319127/step Wall: 11260, 0.00319127/step, 1.27403 hours remaining, 238.558594 MB of memory in use. ENERGY: 3562800 3991.7283 20679.5545 14580.0074 248.3316 -203605.5908 2748.0269 0.0000 0.0000 52119.7448 -109238.1973 299.5329 -161357.9421 -108880.6304 300.1808 83.3160 108.4779 760127.4984 10.6207 10.6112 PRESSURE: 3563000 -238.576 -88.5287 209.927 -88.5283 36.1168 119.162 209.927 119.163 260.687 GPRESSURE: 3563000 -216.226 -165.469 140.644 -70.7943 69.4421 99.0699 141.839 41.2844 307.468 PRESSAVG: 3563000 11.0332 -4.33817 -20.6124 -4.33818 -10.6651 26.5132 -20.6125 26.5132 14.7661 GPRESSAVG: 3563000 11.293 -3.84798 -21.179 -4.39318 -9.92088 24.7941 -24.007 28.1119 13.6904 TIMING: 3563000 CPU: 11260.7, 0.00321112/step Wall: 11260.7, 0.00321112/step, 1.28177 hours remaining, 238.558594 MB of memory in use. ENERGY: 3563000 4038.1012 20520.7728 14481.4836 261.4385 -203516.5377 2712.3690 0.0000 0.0000 52228.4908 -109273.8817 300.1579 -161502.3726 -108902.0874 300.0392 19.4094 53.5614 760897.2600 5.0447 5.0208 PRESSURE: 3563200 43.121 93.5925 -159.013 93.5923 -34.3447 259.408 -159.012 259.409 236.773 GPRESSURE: 3563200 42.6759 197.892 -170.108 142.593 42.6063 339.07 -27.749 142.735 223.243 PRESSAVG: 3563200 -1.67131 -31.547 2.86397 -31.547 28.8275 16.9484 2.86397 16.9484 -2.80456 GPRESSAVG: 3563200 -2.44257 -32.1738 4.37107 -30.0914 29.3439 18.2274 4.10942 16.1968 -2.59738 TIMING: 3563200 CPU: 11261.3, 0.00321081/step Wall: 11261.3, 0.00321081/step, 1.28147 hours remaining, 238.558594 MB of memory in use. ENERGY: 3563200 4009.1882 20575.1823 14475.0955 260.9669 -203517.7509 2528.7368 0.0000 0.0000 52423.0032 -109245.5780 301.2757 -161668.5812 -108874.9633 300.1712 81.8497 102.8416 759979.5730 8.1172 8.1013 PRESSURE: 3563400 -569.34 64.5953 302.004 64.595 -136.859 8.02392 302.005 8.02545 103.089 GPRESSURE: 3563400 -491.149 4.99622 291.708 -3.96091 -74.1688 60.0342 184.299 98.493 34.1927 PRESSAVG: 3563400 -27.4544 -12.2287 9.18072 -12.2288 8.10094 -14.3442 9.1807 -14.3441 15.959 GPRESSAVG: 3563400 -26.4198 -13.1981 7.48435 -13.8941 6.51339 -15.3455 10.2455 -13.3031 16.3925 TIMING: 3563400 CPU: 11262, 0.00320382/step Wall: 11262, 0.00320382/step, 1.2785 hours remaining, 238.558594 MB of memory in use. ENERGY: 3563400 3940.5528 20628.4040 14506.6659 255.7997 -203230.0585 2365.6375 0.0000 0.0000 52340.6799 -109192.3187 300.8026 -161532.9986 -108825.6226 300.0804 -201.0366 -177.0418 760734.3372 -1.1315 -1.1713 PRESSURE: 3563600 -88.4772 -191.321 241.542 -191.32 -20.9924 -245.231 241.542 -245.232 434.693 GPRESSURE: 3563600 -104.718 -161.708 204.368 -217.837 105.814 -175.198 235.235 -270.469 421.497 PRESSAVG: 3563600 -39.5682 -40.2466 7.55868 -40.2465 36.3858 -47.5959 7.55865 -47.596 -8.85229 GPRESSAVG: 3563600 -40.6321 -41.5446 9.52953 -39.6289 37.9044 -46.5312 6.99566 -48.8262 -9.14587 TIMING: 3563600 CPU: 11262.6, 0.00319828/step Wall: 11262.6, 0.00319828/step, 1.27611 hours remaining, 238.558594 MB of memory in use. ENERGY: 3563600 3975.2468 20709.2463 14501.7271 264.6671 -203737.8763 3083.1020 0.0000 0.0000 52075.2410 -109128.6460 299.2771 -161203.8870 -108768.0012 300.2756 108.4079 140.8645 761107.3013 -4.0116 -3.9579 PRESSURE: 3563800 -176.945 86.1874 -37.0309 86.187 -55.2575 259.013 -37.0298 259.013 -313.044 GPRESSURE: 3563800 -224.567 200.111 -98.8079 69.0846 -38.2159 263.768 -48.8201 95.6266 -215.211 PRESSAVG: 3563800 -2.13025 -25.0172 -21.9501 -25.0172 23.6972 -38.2917 -21.9502 -38.2916 -18.4804 GPRESSAVG: 3563800 -2.35552 -23.8029 -22.7888 -25.0504 22.7427 -38.6364 -21.8309 -39.0421 -17.0916 TIMING: 3563800 CPU: 11263.2, 0.00320011/step Wall: 11263.2, 0.00320011/step, 1.27667 hours remaining, 238.558594 MB of memory in use. ENERGY: 3563800 3993.2260 20654.9062 14496.8716 254.1119 -203375.8978 2604.4928 0.0000 0.0000 52407.5929 -108964.6964 301.1872 -161372.2893 -108600.8568 300.4841 -181.7489 -159.3314 761161.4760 1.0288 1.0985 PRESSURE: 3564000 -471.377 373.373 -84.8389 373.374 -305.094 -47.2412 -84.8383 -47.2409 -35.4407 GPRESSURE: 3564000 -356.994 344.226 9.51109 317.494 -316.723 -68.6084 -96.5622 24.7676 -56.3887 PRESSAVG: 3564000 21.6422 39.7643 53.5753 39.7643 12.756 -43.2539 53.5753 -43.2539 11.9844 GPRESSAVG: 3564000 23.3695 40.2376 53.8552 40.8903 12.6864 -43.4963 51.5792 -41.9235 10.3543 TIMING: 3564000 CPU: 11263.9, 0.00316667/step Wall: 11263.9, 0.00316667/step, 1.26315 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3564000 4063.2662 20624.0890 14516.9480 242.0166 -203307.6807 2785.6677 0.0000 0.0000 52201.0958 -108874.5973 300.0004 -161075.6931 -108501.8414 300.6197 -270.6371 -243.3684 761504.8011 15.4609 15.4701 PRESSURE: 3564200 -491.757 320.675 -37.8847 320.674 -214.835 213.026 -37.8849 213.026 -113.762 GPRESSURE: 3564200 -398.307 286.185 -78.2881 295.163 -208.291 294.63 -141.177 18.1395 -138.516 PRESSAVG: 3564200 -30.0559 34.4358 -39.0434 34.4357 27.8028 -23.263 -39.0435 -23.263 -5.58981 GPRESSAVG: 3564200 -32.0345 35.5512 -40.558 33.0507 28.5623 -24.7759 -34.5426 -22.7021 -4.8158 TIMING: 3564200 CPU: 11264.5, 0.00319936/step Wall: 11264.5, 0.00319936/step, 1.27601 hours remaining, 238.558594 MB of memory in use. ENERGY: 3564200 4052.5821 20500.2771 14364.4319 244.5133 -202902.4864 2438.5290 0.0000 0.0000 52379.8380 -108922.3150 301.0276 -161302.1530 -108564.4553 300.4394 -273.4515 -248.3712 763541.5867 -2.6143 -2.7627 LDB: ============= START OF LOAD BALANCING ============== 11276.9 LDB: ============== END OF LOAD BALANCING =============== 11276.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11276.9 LDB: ============= START OF LOAD BALANCING ============== 11277.2 LDB: Largest compute 7068 load 0.032874 is 16.8% of average load 0.196044 LDB: Average compute 0.004406 is 2.2% of average load 0.196044 LDB: TIME 11277.2 LOAD: AVG 0.196044 MAX 0.215245 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 11277.2 LOAD: AVG 0.196044 MAX 0.215245 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 11277.2 LOAD: AVG 0.196044 MAX 0.215245 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 11277.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11277.2 PRESSURE: 3564400 82.1181 -258.371 225.473 -258.371 -170.078 -270.666 225.473 -270.665 -370.352 GPRESSURE: 3564400 95.6318 -156.719 202.253 -107.779 -145.975 -327.205 22.1986 -196.278 -344.356 PRESSAVG: 3564400 68.845 -27.4289 -2.11711 -27.429 -19.5869 -16.6055 -2.11714 -16.6056 27.8079 GPRESSAVG: 3564400 69.8774 -27.181 0.00180511 -26.7277 -20.4231 -16.1917 -6.31341 -17.6069 28.0377 TIMING: 3564400 CPU: 11265.2, 0.00323987/step Wall: 11265.2, 0.00323987/step, 1.29199 hours remaining, 238.355469 MB of memory in use. ENERGY: 3564400 4097.4604 20556.0002 14486.7120 261.5531 -202970.6385 2350.7991 0.0000 0.0000 52330.1634 -108887.9503 300.7422 -161218.1137 -108512.3234 300.6212 -152.7704 -131.5662 761892.3847 25.6887 25.8307 PRESSURE: 3564600 65.2909 1.35439 274.835 1.3545 -9.3421 205.003 274.836 205.002 -62.7628 GPRESSURE: 3564600 62.642 27.3129 277.042 62.5638 36.3616 156.458 267.596 47.9967 -13.6374 PRESSAVG: 3564600 34.6946 6.15226 25.4926 6.1522 4.75028 -6.79467 25.4926 -6.79471 11.1638 GPRESSAVG: 3564600 34.7212 3.59898 25.5554 7.15857 4.47614 -5.45533 26.2064 -7.23168 11.0741 TIMING: 3564600 CPU: 11265.8, 0.00317824/step Wall: 11265.8, 0.00317824/step, 1.26724 hours remaining, 238.355469 MB of memory in use. ENERGY: 3564600 3923.0129 20630.1512 14432.6544 265.3712 -203319.3544 2627.3809 0.0000 0.0000 52352.3965 -109088.3873 300.8699 -161440.7838 -108725.2442 300.2257 -2.2713 28.4554 762165.6364 16.8696 16.7572 PRESSURE: 3564800 201.708 -186.275 143.82 -186.276 -293.57 -298.359 143.82 -298.358 43.8444 GPRESSURE: 3564800 176.225 -93.3459 190.402 -198.142 -144.978 -238.21 114.181 -253.719 4.63241 PRESSAVG: 3564800 30.9946 -24.9473 40.6532 -24.9473 -54.9818 23.0456 40.6532 23.0456 14.9794 GPRESSAVG: 3564800 31.7536 -24.5065 40.8469 -25.4187 -54.3907 24.0842 41.3562 24.4973 14.1194 TIMING: 3564800 CPU: 11266.4, 0.00319992/step Wall: 11266.4, 0.00319992/step, 1.2757 hours remaining, 238.355469 MB of memory in use. ENERGY: 3564800 4058.0309 20461.6405 14374.5644 246.5453 -203581.9526 2867.9836 0.0000 0.0000 52258.0383 -109315.1496 300.3277 -161573.1879 -108950.4582 299.7834 -16.0059 11.9598 762100.9089 -3.0026 -2.8393 PRESSURE: 3565000 22.412 176.321 -17.0021 176.321 103.68 107.283 -17.0014 107.283 -225.991 GPRESSURE: 3565000 50.5066 192.372 50.032 132.146 162.025 11.6464 38.7126 97.4993 -231.025 PRESSAVG: 3565000 -36.8132 16.2408 25.2192 16.2408 11.1346 27.8556 25.2191 27.8556 -17.9733 GPRESSAVG: 3565000 -38.5864 18.2075 23.6339 14.067 11.5325 26.8205 25.7014 26.6105 -16.6934 TIMING: 3565000 CPU: 11267.1, 0.00317415/step Wall: 11267.1, 0.00317415/step, 1.26525 hours remaining, 238.355469 MB of memory in use. ENERGY: 3565000 4002.5506 20520.1001 14485.5547 253.8312 -203227.9001 2666.1809 0.0000 0.0000 51867.8527 -109431.8299 298.0853 -161299.6826 -109084.2318 299.7231 -33.2995 -6.1646 762290.7139 -14.5506 -14.5824 PRESSURE: 3565200 195.807 216.188 -61.9544 216.188 203.006 2.58706 -61.9544 2.58765 -49.7757 GPRESSURE: 3565200 175.066 109.353 16.8741 120.402 216.628 -3.98523 10.2046 72.3107 54.4336 PRESSAVG: 3565200 15.0936 3.16055 -22.9454 3.16056 -7.6972 105.951 -22.9454 105.951 -1.53777 GPRESSAVG: 3565200 15.0732 2.44519 -23.7198 5.1026 -7.39664 104.629 -22.4409 107.03 -1.77207 TIMING: 3565200 CPU: 11267.7, 0.00319331/step Wall: 11267.7, 0.00319331/step, 1.27271 hours remaining, 238.355469 MB of memory in use. ENERGY: 3565200 3955.5832 20657.6294 14443.2205 251.4103 -202920.4716 2554.3893 0.0000 0.0000 51817.4954 -109240.7434 297.7959 -161058.2389 -108897.5653 299.4834 116.3457 148.7094 761379.6388 1.9529 1.9681 PRESSURE: 3565400 96.7031 141.662 -70.855 141.662 -143.66 80.9131 -70.8553 80.9125 -189.084 GPRESSURE: 3565400 91.4031 111.918 -75.3816 110.112 -84.7608 225.695 29.5051 -20.6762 -128.205 PRESSAVG: 3565400 10.8004 -32.1908 -13.7817 -32.1908 47.8588 -54.1742 -13.7817 -54.1742 1.74985 GPRESSAVG: 3565400 12.8627 -32.7968 -12.934 -33.7126 46.646 -52.9893 -13.9505 -55.2671 1.23901 TIMING: 3565400 CPU: 11268.4, 0.00322014/step Wall: 11268.4, 0.00322014/step, 1.28323 hours remaining, 238.355469 MB of memory in use. ENERGY: 3565400 4003.7848 20438.8228 14486.3386 240.5402 -202911.8432 2353.9415 0.0000 0.0000 51988.8850 -109399.5303 298.7808 -161388.4153 -109041.5497 299.5463 -78.6804 -40.5208 760394.3272 20.1364 20.2492 PRESSURE: 3565600 -186.093 -204.469 139.233 -204.468 215.465 23.8705 139.232 23.8706 277.89 GPRESSURE: 3565600 -73.0281 -128.65 189.569 -179.126 243.885 -13.7736 89.5971 -14.9676 219.643 PRESSAVG: 3565600 28.4755 -44.5051 39.8565 -44.5051 2.70611 9.46133 39.8565 9.46137 -7.94485 GPRESSAVG: 3565600 28.3948 -44.4925 40.0491 -44.0129 2.4985 8.05649 39.7734 10.1159 -7.90739 TIMING: 3565600 CPU: 11269, 0.00317322/step Wall: 11269, 0.00317322/step, 1.26435 hours remaining, 238.355469 MB of memory in use. ENERGY: 3565600 4066.9067 20612.9996 14389.9923 241.4030 -203008.7983 2398.1730 0.0000 0.0000 52125.6660 -109173.6578 299.5669 -161299.3238 -108811.7861 299.8539 102.4203 130.1668 760745.0049 7.7456 7.6620 PRESSURE: 3565800 428.622 108.088 21.3009 108.088 133.199 -260.57 21.3009 -260.57 -135.722 GPRESSURE: 3565800 331.235 -15.8886 -0.511856 60.2786 231.368 -257.309 -14.3341 -171.557 -39.4851 PRESSAVG: 3565800 31.7209 -31.9562 47.7257 -31.9562 -11.0027 -14.4429 47.7256 -14.4429 26.2256 GPRESSAVG: 3565800 30.7178 -32.824 46.9826 -32.154 -10.7847 -13.8841 48.0509 -13.4635 27.1195 TIMING: 3565800 CPU: 11269.6, 0.00318078/step Wall: 11269.6, 0.00318078/step, 1.26719 hours remaining, 238.355469 MB of memory in use. ENERGY: 3565800 3892.4947 20691.8468 14414.2613 245.7167 -203442.6352 2958.0287 0.0000 0.0000 51971.4146 -109268.8724 298.6804 -161240.2869 -108914.8540 299.9014 142.0332 174.3727 761188.5636 15.6479 15.6842 PRESSURE: 3566000 -33.1111 -133.854 157.546 -133.854 -130.472 300.573 157.545 300.574 122.357 GPRESSURE: 3566000 36.8783 -103.132 111.867 -224.079 -142.235 283.493 258.391 297.718 157.473 PRESSAVG: 3566000 11.4237 -41.5269 5.77978 -41.527 6.79574 -11.064 5.77982 -11.0641 -14.508 GPRESSAVG: 3566000 12.1538 -39.4214 6.13208 -44.6472 6.54093 -8.5626 8.2234 -13.092 -15.3457 TIMING: 3566000 CPU: 11270.3, 0.00317555/step Wall: 11270.3, 0.00317555/step, 1.26493 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3566000 3967.6991 20587.2884 14466.1780 276.0611 -202912.1282 2326.3063 0.0000 0.0000 51804.9980 -109483.5971 297.7240 -161288.5952 -109129.5025 299.3052 -13.7421 17.3722 761124.3673 1.2371 1.1163 PRESSURE: 3566200 -226.216 15.3731 -42.7717 15.3737 -48.4397 -50.1878 -42.7714 -50.1868 -216.833 GPRESSURE: 3566200 -182.568 66.3876 -124.091 100.227 -31.6979 -86.5048 -86.6044 -54.8838 -182.027 PRESSAVG: 3566200 -32.7752 9.40163 0.986376 9.40169 62.7835 25.6506 0.986434 25.6505 13.3853 GPRESSAVG: 3566200 -31.8397 9.15425 -0.309048 12.1018 63.4621 24.1074 -1.33635 28.4207 11.8228 TIMING: 3566200 CPU: 11270.9, 0.00314733/step Wall: 11270.9, 0.00314733/step, 1.25351 hours remaining, 238.355469 MB of memory in use. ENERGY: 3566200 4038.1529 20418.8719 14480.8152 245.5208 -203441.2746 2607.2161 0.0000 0.0000 52124.0225 -109526.6752 299.5575 -161650.6977 -109166.1774 298.7172 -163.8295 -132.0977 760186.9443 14.4645 14.4817 PRESSURE: 3566400 -124.464 -82.0068 63.03 -82.0063 -6.37237 -3.51401 63.0288 -3.51337 -129.752 GPRESSURE: 3566400 -120.67 -68.2538 50.596 -51.9543 32.6833 66.8045 -56.5418 -189.269 -91.4604 PRESSAVG: 3566400 22.5243 -24.8434 2.23484 -24.8434 37.3985 -20.8444 2.23483 -20.8445 10.3033 GPRESSAVG: 3566400 22.0111 -25.0599 3.50646 -24.0654 36.3118 -20.1153 2.23459 -22.543 11.9054 TIMING: 3566400 CPU: 11271.5, 0.00316008/step Wall: 11271.5, 0.00316007/step, 1.25841 hours remaining, 238.355469 MB of memory in use. ENERGY: 3566400 4051.0704 20451.1525 14390.1164 266.3063 -203101.9966 2569.3063 0.0000 0.0000 51822.2931 -109551.7517 297.8234 -161374.0448 -109197.9014 298.5501 -86.8626 -59.8155 761407.6823 23.4087 23.4094 PRESSURE: 3566600 -247.887 38.8685 122.564 38.8685 151.207 122.984 122.565 122.984 244.738 GPRESSURE: 3566600 -180.212 124.981 181.56 29.3414 236.765 54.4684 44.5325 262.004 161.744 PRESSAVG: 3566600 16.0685 26.7597 -29.1666 26.7596 -19.0216 -40.7844 -29.1667 -40.7844 27.2625 GPRESSAVG: 3566600 15.0349 27.3659 -27.9634 26.8707 -18.2442 -41.8711 -30.6986 -39.5027 27.3505 TIMING: 3566600 CPU: 11272.2, 0.00318064/step Wall: 11272.2, 0.00318064/step, 1.26643 hours remaining, 238.355469 MB of memory in use. ENERGY: 3566600 4000.4905 20503.3869 14482.6948 243.3299 -203400.2157 2817.2628 0.0000 0.0000 51963.7953 -109389.2555 298.6366 -161353.0508 -109025.2948 299.2629 49.3527 72.7655 761951.0074 8.1031 8.0470 PRESSURE: 3566800 -423.703 109.151 -221.187 109.152 343.751 -174.111 -221.187 -174.111 -110.588 GPRESSURE: 3566800 -316.885 64.1839 -200.645 152.17 272.988 -233.753 -175.574 -100.277 -62.7509 PRESSAVG: 3566800 -29.8852 29.6224 -11.4123 29.6224 3.62507 -3.5141 -11.4123 -3.5141 9.2862 GPRESSAVG: 3566800 -29.4218 29.4317 -12.5729 30.4216 3.62756 -3.98001 -6.40064 -3.55569 8.68664 TIMING: 3566800 CPU: 11272.8, 0.00316772/step Wall: 11272.8, 0.00316772/step, 1.2611 hours remaining, 238.355469 MB of memory in use. ENERGY: 3566800 3990.8612 20655.0500 14423.5384 249.8049 -203717.5747 2635.1672 0.0000 0.0000 52154.4118 -109608.7412 299.7321 -161763.1530 -109240.6086 298.9038 -63.5135 -35.5493 760766.7119 -5.6580 -5.7025 PRESSURE: 3567000 83.2127 -186.148 34.964 -186.149 62.8613 81.6328 34.9643 81.6331 267.574 GPRESSURE: 3567000 114.296 -117.032 74.3479 -109.488 127.87 25.965 -50.1923 -52.6427 270.824 PRESSAVG: 3567000 4.34083 19.8282 -3.44102 19.8282 52.3334 -69.7896 -3.44105 -69.7896 9.67296 GPRESSAVG: 3567000 4.28854 20.2484 -2.80875 17.7689 52.3618 -69.0851 -8.65569 -69.4998 9.74328 TIMING: 3567000 CPU: 11273.4, 0.00316095/step Wall: 11273.4, 0.00316095/step, 1.25823 hours remaining, 238.355469 MB of memory in use. ENERGY: 3567000 3926.6581 20560.7323 14363.8121 249.7626 -203352.3617 2646.5795 0.0000 0.0000 51904.4345 -109700.3824 298.2955 -161604.8169 -109347.3164 298.9283 137.8828 170.9969 759512.4300 22.1157 22.1312 PRESSURE: 3567200 208.797 -133.844 66.4354 -133.844 226.216 14.557 66.4358 14.5554 -206.311 GPRESSURE: 3567200 219.8 -205.324 94.1125 -77.3283 199.722 -20.6203 24.7121 58.8246 -113.47 PRESSAVG: 3567200 -83.3629 22.5695 10.5674 22.5695 55.9599 -47.1947 10.5674 -47.1947 -18.3382 GPRESSAVG: 3567200 -83.6247 19.3963 10.4674 25.3541 55.8196 -47.7773 12.691 -48.8049 -18.1333 TIMING: 3567200 CPU: 11274.1, 0.00316906/step Wall: 11274.1, 0.00316906/step, 1.26128 hours remaining, 238.355469 MB of memory in use. ENERGY: 3567200 3940.8659 20420.7974 14447.6252 237.2646 -203385.2129 2576.6047 0.0000 0.0000 51855.4334 -109906.6215 298.0139 -161762.0549 -109543.4902 298.7194 76.2339 102.0173 761235.5122 -15.2471 -15.3128 PRESSURE: 3567400 48.318 -86.6803 -9.48177 -86.6801 -165.999 -110.788 -9.48151 -110.788 92.9645 GPRESSURE: 3567400 95.4032 -55.4339 -89.957 -106.609 -133.937 -129.443 79.0117 -23.6588 97.3124 PRESSAVG: 3567400 -7.86261 -51.5244 -10.6519 -51.5244 21.6992 -60.3605 -10.6519 -60.3605 11.2522 GPRESSAVG: 3567400 -8.14156 -50.5924 -12.1917 -55.2324 21.9965 -60.2529 -11.5632 -59.7506 11.1274 TIMING: 3567400 CPU: 11274.7, 0.00320531/step Wall: 11274.7, 0.00320531/step, 1.27554 hours remaining, 238.355469 MB of memory in use. ENERGY: 3567400 3922.0165 20499.2835 14368.0544 253.1634 -203460.4381 2725.0511 0.0000 0.0000 51940.5714 -109752.2979 298.5032 -161692.8693 -109395.2599 298.8179 -8.2387 19.5930 761778.5604 8.3629 8.3275 PRESSURE: 3567600 -120.057 133.833 -86.1431 133.833 -193.667 -121.795 -86.1435 -121.795 58.588 GPRESSURE: 3567600 -64.3044 268.392 -141.268 43.5932 -179.789 -89.0557 -115.254 -75.3238 66.571 PRESSAVG: 3567600 16.3938 0.050382 4.54013 0.0503488 17.771 -56.923 4.54019 -56.9229 1.33763 GPRESSAVG: 3567600 17.1361 1.61075 4.56285 0.170071 16.1175 -57.0889 6.25493 -58.6878 2.21258 TIMING: 3567600 CPU: 11275.3, 0.00316907/step Wall: 11275.3, 0.00316907/step, 1.26094 hours remaining, 238.355469 MB of memory in use. ENERGY: 3567600 3972.9814 20474.0695 14380.0980 259.4449 -203563.2633 2531.1426 0.0000 0.0000 52274.4720 -109671.0549 300.4221 -161945.5269 -109312.1056 298.9135 -85.0451 -59.1742 761666.0127 11.8341 11.8221 PRESSURE: 3567800 -189.529 40.415 6.93495 40.4154 -228.147 67.1078 6.93476 67.1087 -415.98 GPRESSURE: 3567800 -92.9109 58.004 5.44458 13.5781 -231.67 -29.7183 -12.9615 217.542 -425.217 PRESSAVG: 3567800 -5.79826 43.0016 20.0003 43.0015 5.67273 -50.6141 20.0003 -50.6141 -4.91819 GPRESSAVG: 3567800 -6.29936 40.9437 20.5267 45.2208 6.85597 -50.763 19.0754 -49.448 -4.87361 TIMING: 3567800 CPU: 11276, 0.00313019/step Wall: 11276, 0.00313019/step, 1.24529 hours remaining, 238.355469 MB of memory in use. ENERGY: 3567800 3957.7090 20639.3218 14392.8353 255.3155 -203402.8945 2322.6764 0.0000 0.0000 52130.6453 -109704.3911 299.5955 -161835.0364 -109344.2403 298.6356 -277.8852 -249.9327 760147.7704 -1.6812 -1.4390 PRESSURE: 3568000 -84.728 -5.38333 -17.6994 -5.38363 -220.424 -50.4434 -17.6989 -50.4429 -359.204 GPRESSURE: 3568000 -88.515 97.4024 -28.3165 11.3595 -124.804 23.9511 9.90291 -44.2309 -358.225 PRESSAVG: 3568000 -47.1747 -50.484 -11.4711 -50.484 20.0645 40.5784 -11.4711 40.5784 9.5416 GPRESSAVG: 3568000 -47.9241 -49.3516 -12.381 -49.8429 21.8184 40.1739 -10.7045 42.3688 8.64821 TIMING: 3568000 CPU: 11276.6, 0.00313154/step Wall: 11276.6, 0.00313154/step, 1.24566 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3568000 3936.9990 20478.1450 14487.1850 255.7892 -203642.4760 2647.0360 0.0000 0.0000 52188.2594 -109649.0623 299.9266 -161837.3217 -109282.5303 298.8945 -221.4521 -190.5147 760787.0683 -5.8562 -5.8192 PRESSURE: 3568200 47.4635 115.32 -145.79 115.32 17.0599 137.759 -145.789 137.758 51.9323 GPRESSURE: 3568200 103.947 55.0948 -125.67 -22.6174 26.7453 141.259 -77.0997 159.015 76.851 PRESSAVG: 3568200 7.51939 -8.76041 -12.1878 -8.76048 15.5949 25.1072 -12.1878 25.1072 12.9675 GPRESSAVG: 3568200 9.80293 -9.73066 -9.81626 -9.61347 12.8962 25.2933 -13.5203 25.0391 13.3776 TIMING: 3568200 CPU: 11277.2, 0.00316379/step Wall: 11277.2, 0.00316379/step, 1.25831 hours remaining, 238.355469 MB of memory in use. ENERGY: 3568200 3930.3062 20434.5428 14385.6556 244.2453 -203260.7162 2876.5671 0.0000 0.0000 51797.9511 -109591.4481 297.6835 -161389.3993 -109232.1838 298.6672 38.8186 69.1809 763275.2544 12.0273 12.0256 LDB: ============= START OF LOAD BALANCING ============== 11289.6 LDB: ============== END OF LOAD BALANCING =============== 11289.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11289.6 LDB: ============= START OF LOAD BALANCING ============== 11289.9 LDB: Largest compute 7038 load 0.031751 is 16.2% of average load 0.196010 LDB: Average compute 0.004384 is 2.2% of average load 0.196010 LDB: TIME 11289.9 LOAD: AVG 0.19601 MAX 0.216488 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 11289.9 LOAD: AVG 0.19601 MAX 0.216488 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 11289.9 LOAD: AVG 0.19601 MAX 0.216488 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 11289.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11289.9 PRESSURE: 3568400 -244.165 -48.9257 17.9995 -48.9254 -96.6665 -298.183 17.9997 -298.183 24.9941 GPRESSURE: 3568400 -280.424 58.253 16.1829 -14.3291 -51.8116 -290.605 71.6521 -250.794 95.5281 PRESSAVG: 3568400 -12.9292 -21.2233 -42.2262 -21.2232 -32.7398 24.3395 -42.2263 24.3395 25.8333 GPRESSAVG: 3568400 -13.479 -19.8128 -43.2129 -20.9412 -32.3689 25.0435 -43.0174 22.1882 26.1195 TIMING: 3568400 CPU: 11277.9, 0.00318775/step Wall: 11277.9, 0.00318775/step, 1.26766 hours remaining, 238.101562 MB of memory in use. ENERGY: 3568400 3965.4289 20622.4588 14386.0442 228.2711 -203313.3512 2435.3340 0.0000 0.0000 52115.7884 -109560.0258 299.5102 -161675.8142 -109195.9240 298.6594 -105.2792 -78.9023 762591.8957 -6.6119 -6.5761 PRESSURE: 3568600 401.838 80.8305 -83.543 80.8302 34.0442 -53.7847 -83.5431 -53.7833 365.178 GPRESSURE: 3568600 426.93 78.9708 -53.9725 165.111 83.5749 -99.0701 -169.726 18.9204 365.969 PRESSAVG: 3568600 -5.77777 -20.6868 -3.97183 -20.6868 21.5134 -35.925 -3.97185 -35.925 14.4972 GPRESSAVG: 3568600 -6.56407 -21.3261 -3.26678 -21.5486 23.0496 -36.2169 -3.17217 -35.5193 14.1878 TIMING: 3568600 CPU: 11278.5, 0.00313876/step Wall: 11278.5, 0.00313876/step, 1.248 hours remaining, 238.101562 MB of memory in use. ENERGY: 3568600 3917.0999 20529.2708 14363.3724 260.2028 -203944.3494 2926.2431 0.0000 0.0000 52286.7877 -109661.3727 300.4929 -161948.1604 -109306.7882 299.2054 267.0204 292.1577 760691.6731 10.0776 10.2245 PRESSURE: 3568800 206.305 56.3735 -213.824 56.3734 287.313 -28.4961 -213.823 -28.4959 -118.305 GPRESSURE: 3568800 174.23 182.067 -265.778 35.976 378.758 -80.9393 -200.09 37.4019 -87.423 PRESSAVG: 3568800 24.1711 17.164 -23.9013 17.164 -40.0508 -41.9884 -23.9013 -41.9883 -15.8365 GPRESSAVG: 3568800 24.5019 17.4474 -25.1743 17.1997 -40.3546 -42.3278 -26.345 -41.1905 -15.7765 TIMING: 3568800 CPU: 11279.1, 0.0031719/step Wall: 11279.1, 0.0031719/step, 1.26101 hours remaining, 238.101562 MB of memory in use. ENERGY: 3568800 3911.9056 20468.4034 14361.9585 260.2186 -203489.6224 2974.4613 0.0000 0.0000 52036.5701 -109476.1050 299.0549 -161512.6751 -109107.0859 299.5960 125.1043 155.1883 760721.6717 -10.5721 -10.5431 PRESSURE: 3569000 -298.391 -44.5844 -16.1867 -44.5836 -105.118 14.2207 -16.1865 14.2216 -3.33212 GPRESSURE: 3569000 -170.784 -147.095 -0.179228 -56.391 -61.5627 -7.26968 19.4477 99.0519 -88.4236 PRESSAVG: 3569000 -40.5993 37.765 -18.7897 37.765 84.8751 4.36596 -18.7897 4.36601 21.4028 GPRESSAVG: 3569000 -39.2531 38.0947 -16.2915 37.548 83.6554 4.85943 -18.2604 3.52243 21.6193 TIMING: 3569000 CPU: 11279.8, 0.00316165/step Wall: 11279.8, 0.00316165/step, 1.25676 hours remaining, 238.101562 MB of memory in use. ENERGY: 3569000 3923.3592 20479.7278 14504.1266 257.0827 -203591.8261 2812.2976 0.0000 0.0000 52151.3895 -109463.8427 299.7148 -161615.2322 -109105.8565 298.8360 -135.6138 -106.9234 760949.6687 21.8928 22.0072 PRESSURE: 3569200 -12.4651 -87.4309 -29.5972 -87.4307 -247.608 -91.3635 -29.5971 -91.364 -125.866 GPRESSURE: 3569200 -49.2671 -207.956 -77.8556 -123.761 -119.037 -122.007 -154.433 -75.5592 -116.288 PRESSAVG: 3569200 -19.5808 21.1991 37.0735 21.1991 34.584 -4.14835 37.0735 -4.14837 -4.79192 GPRESSAVG: 3569200 -20.7749 19.742 36.6986 20.9229 35.483 -2.6831 37.1766 -4.65143 -4.10432 TIMING: 3569200 CPU: 11280.4, 0.00315879/step Wall: 11280.4, 0.00315879/step, 1.25544 hours remaining, 238.101562 MB of memory in use. ENERGY: 3569200 3975.8489 20440.9620 14466.8203 244.2229 -203407.6292 2690.9542 0.0000 0.0000 52194.2383 -109394.5826 299.9610 -161588.8209 -109027.8982 299.7767 -128.6464 -94.8641 761609.3157 3.4038 3.5346 PRESSURE: 3569400 261.952 -241.394 -2.13247 -241.395 201.338 -204.441 -2.13209 -204.441 218.08 GPRESSURE: 3569400 283.465 -185.302 40.92 -140.51 257.581 -195.055 -7.08836 -44.4977 217.114 PRESSAVG: 3569400 9.13962 -9.89714 3.49353 -9.89714 -2.20122 -7.96872 3.49345 -7.96878 -7.51873 GPRESSAVG: 3569400 9.37119 -8.47483 3.45795 -9.54886 -1.49668 -9.48033 2.50156 -5.50521 -8.60909 TIMING: 3569400 CPU: 11281, 0.00315019/step Wall: 11281, 0.00315019/step, 1.25185 hours remaining, 238.101562 MB of memory in use. ENERGY: 3569400 3952.1772 20561.2956 14373.4340 251.0959 -203447.7665 2759.6721 0.0000 0.0000 52115.4330 -109434.6585 299.5081 -161550.0916 -109068.9044 299.5015 227.1234 252.7200 760613.0497 -0.1934 -0.2449 PRESSURE: 3569600 50.1439 -104.699 325.061 -104.699 -38.5943 488.318 325.061 488.318 22.2346 GPRESSURE: 3569600 113.92 -20.5428 227.032 -48.4434 -25.556 528.943 266.855 158.85 24.2315 PRESSAVG: 3569600 -10.7558 -24.3018 29.2836 -24.3018 -8.36956 -31.4895 29.2836 -31.4895 11.1857 GPRESSAVG: 3569600 -10.9574 -25.1139 28.5667 -23.3144 -9.62394 -30.5188 31.1809 -32.9394 11.7502 TIMING: 3569600 CPU: 11281.6, 0.00316677/step Wall: 11281.6, 0.00316677/step, 1.25827 hours remaining, 238.101562 MB of memory in use. ENERGY: 3569600 3969.4546 20428.7326 14463.8060 226.3305 -202971.9683 2432.5736 0.0000 0.0000 51983.1188 -109467.9522 298.7477 -161451.0710 -109102.0975 299.0608 11.2614 37.5320 761796.9023 -2.6466 -2.9437 PRESSURE: 3569800 63.8062 88.1665 -109.954 88.167 235.295 344.982 -109.953 344.982 368.883 GPRESSURE: 3569800 133.457 48.2517 -152.332 110.534 173.851 266.035 -65.3961 266.833 452.17 PRESSAVG: 3569800 13.6829 7.27301 1.92362 7.27301 -39.9614 -26.9279 1.92363 -26.9279 9.58815 GPRESSAVG: 3569800 13.6427 9.48439 2.51242 4.8109 -38.4761 -28.5112 0.95694 -28.7856 7.96014 TIMING: 3569800 CPU: 11282.3, 0.00316731/step Wall: 11282.3, 0.00316731/step, 1.2583 hours remaining, 238.101562 MB of memory in use. ENERGY: 3569800 3989.7993 20424.0486 14469.2785 249.8914 -203362.0210 2854.4332 0.0000 0.0000 51927.4059 -109447.1642 298.4275 -161374.5701 -109091.1224 298.7232 222.6611 253.1594 761856.5680 -5.5634 -5.6244 PRESSURE: 3570000 23.9495 38.2524 114.054 38.2519 -30.0761 118.434 114.054 118.432 -185.637 GPRESSURE: 3570000 104.556 -40.2058 177.72 98.2411 -23.033 128.836 61.3165 161.187 -192.961 PRESSAVG: 3570000 67.3316 16.667 25.2323 16.667 -67.8372 -11.1749 25.2323 -11.1748 -10.7895 GPRESSAVG: 3570000 66.5206 14.2441 26.87 16.9856 -68.3355 -9.52167 26.4282 -8.85902 -9.4662 TIMING: 3570000 CPU: 11282.9, 0.0031817/step Wall: 11282.9, 0.0031817/step, 1.26384 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3570000 3984.3290 20418.6583 14464.9090 242.7498 -203363.7457 2794.7667 0.0000 0.0000 51966.5318 -109491.8010 298.6524 -161458.3328 -109127.6753 298.7934 -63.9211 -37.1459 762574.6458 -3.7650 -3.7604 PRESSURE: 3570200 470.911 -24.6552 -146.758 -24.6559 225.349 193.459 -146.757 193.459 -68.3926 GPRESSURE: 3570200 476.741 62.0609 -154.314 1.61395 241.827 101.51 -198.57 19.8301 7.58569 PRESSAVG: 3570200 49.5502 -1.78601 13.0138 -1.78605 -16.6469 13.1617 13.0139 13.1617 -2.37594 GPRESSAVG: 3570200 49.7455 -1.23119 11.597 0.314389 -17.2857 13.5753 12.3219 12.017 -1.6571 TIMING: 3570200 CPU: 11283.5, 0.0031627/step Wall: 11283.5, 0.0031627/step, 1.25612 hours remaining, 238.101562 MB of memory in use. ENERGY: 3570200 3961.4728 20402.4206 14475.8800 258.1217 -203108.8298 2773.2869 0.0000 0.0000 51962.5087 -109275.1390 298.6293 -161237.6477 -108912.9756 299.0611 209.2892 242.0512 762619.6525 10.1758 10.2676 PRESSURE: 3570400 -72.0621 31.8995 291.334 31.8993 -401.324 -38.1833 291.334 -38.1843 -61.457 GPRESSURE: 3570400 5.02223 -39.6876 208.536 53.5474 -373.628 -100.638 157.014 -53.1581 -85.2459 PRESSAVG: 3570400 49.5085 62.17 -53.9298 62.1701 -10.9178 23.9829 -53.9298 23.9831 5.61905 GPRESSAVG: 3570400 49.5066 63.1776 -53.8675 59.5377 -9.61482 23.1761 -54.0423 23.6211 4.37414 TIMING: 3570400 CPU: 11284.2, 0.00321955/step Wall: 11284.2, 0.00321955/step, 1.27852 hours remaining, 238.101562 MB of memory in use. ENERGY: 3570400 3932.8357 20319.1226 14396.2659 240.2441 -202749.1489 2372.3783 0.0000 0.0000 52220.0590 -109268.2432 300.1094 -161488.3023 -108899.9168 299.6573 -178.2809 -151.2840 761007.2170 14.7366 14.7553 PRESSURE: 3570600 -514.565 -84.9253 0.12051 -84.9253 -141.1 49.7522 0.120424 49.752 -154.841 GPRESSURE: 3570600 -406.745 -150.358 -36.3164 -110.349 -126.207 89.5209 -53.3782 60.0591 -197.947 PRESSAVG: 3570600 27.087 61.6633 -43.2256 61.6634 -17.1098 -72.5904 -43.2256 -72.5904 -22.9729 GPRESSAVG: 3570600 26.5103 59.5641 -42.8757 64.8215 -16.3999 -72.0739 -43.885 -74.3845 -23.0853 TIMING: 3570600 CPU: 11284.8, 0.00320594/step Wall: 11284.8, 0.00320594/step, 1.27294 hours remaining, 238.101562 MB of memory in use. ENERGY: 3570600 4009.0899 20546.3431 14470.4885 237.0638 -202863.5390 2314.2005 0.0000 0.0000 51797.1952 -109489.1580 297.6792 -161286.3533 -109137.1345 298.8436 -270.1685 -243.6330 761209.6190 -4.3319 -4.3250 PRESSURE: 3570800 -73.3141 47.658 -239.882 47.6583 -1.77081 -1.49001 -239.881 -1.48931 96.6646 GPRESSURE: 3570800 -47.8986 46.5239 -150.317 0.795867 -55.9516 45.6127 -52.1498 -67.3033 217.117 PRESSAVG: 3570800 14.3111 -1.45401 -49.0945 -1.45402 -1.97859 41.4 -49.0944 41.4 -0.990429 GPRESSAVG: 3570800 15.694 -2.47637 -48.7677 -4.20927 -3.83029 40.1889 -49.1886 41.9426 -0.298866 TIMING: 3570800 CPU: 11285.5, 0.00314742/step Wall: 11285.5, 0.00314742/step, 1.24952 hours remaining, 238.101562 MB of memory in use. ENERGY: 3570800 3922.5717 20362.1603 14347.8579 238.5162 -203011.3780 2552.7065 0.0000 0.0000 52175.3376 -109412.2278 299.8524 -161587.5654 -109058.6292 299.2665 7.1932 37.7556 760384.5031 3.7807 3.8550 PRESSURE: 3571000 -169.849 72.9479 -105.084 72.9473 91.5619 223.609 -105.083 223.608 84.938 GPRESSURE: 3571000 -84.4507 93.8743 -125.218 70.764 82.265 222.5 -112.459 183.889 81.4376 PRESSAVG: 3571000 33.9902 7.98381 -24.1249 7.98373 -33.5929 59.2296 -24.1248 59.2296 7.5695 GPRESSAVG: 3571000 33.4794 9.11417 -25.5194 9.75988 -32.2951 58.6542 -21.5528 59.4833 6.65694 TIMING: 3571000 CPU: 11286.1, 0.00315634/step Wall: 11286.1, 0.00315634/step, 1.25289 hours remaining, 238.101562 MB of memory in use. ENERGY: 3571000 3970.0633 20332.7116 14518.6341 252.9296 -202716.2781 2295.3704 0.0000 0.0000 52096.7133 -109249.8557 299.4005 -161346.5691 -108900.0138 299.4635 2.2168 26.4173 762242.2920 2.6556 2.6137 PRESSURE: 3571200 -83.4036 73.8226 108.316 73.8228 -6.7539 86.7471 108.315 86.7468 -137.959 GPRESSURE: 3571200 -90.4651 9.81788 75.1825 47.302 70.0497 -34.7118 35.4862 155.74 -121.289 PRESSAVG: 3571200 7.28938 22.0166 17.8155 22.0166 -26.2987 49.0849 17.8156 49.085 2.15667 GPRESSAVG: 3571200 6.96827 22.5026 19.0556 21.8301 -26.8877 49.2426 16.4929 49.3006 2.82726 TIMING: 3571200 CPU: 11286.7, 0.00318513/step Wall: 11286.7, 0.00318513/step, 1.26414 hours remaining, 238.101562 MB of memory in use. ENERGY: 3571200 4031.5361 20223.5563 14378.5372 257.8675 -202997.5970 2603.8699 0.0000 0.0000 52324.1868 -109178.0432 300.7078 -161502.2301 -108815.0180 299.8492 -76.0388 -47.2349 761613.2378 -5.6175 -5.6974 PRESSURE: 3571400 -249.659 53.9993 -255.548 53.9993 -223.34 15.2085 -255.547 15.2099 163.417 GPRESSURE: 3571400 -240.47 82.1579 -249.751 -12.7702 -149.942 -5.13353 -284.509 4.73253 152.649 PRESSAVG: 3571400 -56.5343 21.1763 60.2863 21.1763 -13.3997 13.1121 60.2863 13.112 6.00611 GPRESSAVG: 3571400 -56.451 20.1384 59.5331 21.8049 -13.85 12.1573 57.7909 14.8285 5.71128 TIMING: 3571400 CPU: 11287.4, 0.00318396/step Wall: 11287.4, 0.00318396/step, 1.2635 hours remaining, 238.101562 MB of memory in use. ENERGY: 3571400 4004.6439 20494.8185 14442.3843 258.3843 -203051.1089 2480.8858 0.0000 0.0000 52125.8724 -109244.1196 299.5681 -161369.9920 -108882.3425 299.8513 -103.1940 -79.2542 761915.7114 -21.3093 -21.5299 PRESSURE: 3571600 -270.494 -110.413 175.371 -110.413 -16.7301 -45.3856 175.37 -45.3852 -111.262 GPRESSURE: 3571600 -240.042 -37.9655 242.025 -80.5137 -12.6839 -96.2127 145.579 -66.809 -59.979 PRESSAVG: 3571600 -41.8794 -6.42294 38.463 -6.42293 -3.43271 16.6786 38.463 16.6786 17.2973 GPRESSAVG: 3571600 -41.9846 -3.72218 40.1768 -8.74438 -3.78967 19.1055 39.2238 14.2063 17.2862 TIMING: 3571600 CPU: 11288, 0.00315938/step Wall: 11288, 0.00315938/step, 1.25357 hours remaining, 238.101562 MB of memory in use. ENERGY: 3571600 4124.7311 20375.3810 14526.3079 239.2467 -203087.2203 2552.8303 0.0000 0.0000 52112.1240 -109156.5993 299.4891 -161268.7233 -108791.8551 299.5989 -132.8289 -104.2349 761044.4259 -9.3383 -9.4960 PRESSURE: 3571800 -57.5703 -16.3838 -5.96 -16.3837 214.653 -88.4597 -5.95927 -88.4598 -47.3166 GPRESSURE: 3571800 53.305 8.07973 -61.7687 -51.5937 223.279 -155.507 76.4923 -30.4086 -83.8502 PRESSAVG: 3571800 41.2077 1.23564 16.7068 1.23561 -33.03 -14.0154 16.7068 -14.0154 4.09299 GPRESSAVG: 3571800 41.2761 0.62619 15.4765 3.70438 -32.7867 -15.7629 19.9632 -12.8035 4.29124 TIMING: 3571800 CPU: 11288.6, 0.00317027/step Wall: 11288.6, 0.00317027/step, 1.25772 hours remaining, 238.101562 MB of memory in use. ENERGY: 3571800 3997.8452 20605.3988 14442.8551 257.4835 -203387.4843 2885.8911 0.0000 0.0000 51908.5054 -109289.5052 298.3189 -161198.0107 -108937.9128 299.8716 36.5887 64.2445 761259.0167 4.0902 4.2602 PRESSURE: 3572000 -221.461 -67.4041 230.718 -67.4045 -139.764 18.1021 230.718 18.1016 146.962 GPRESSURE: 3572000 -220.502 -5.66305 215.157 27.4638 -125.175 3.30568 35.5314 53.5159 209.343 PRESSAVG: 3572000 -10.1662 -14.123 17.5722 -14.1231 12.6855 -27.4241 17.5722 -27.4241 19.6226 GPRESSAVG: 3572000 -9.98095 -14.6071 17.0542 -14.5078 12.0354 -27.1561 16.6812 -27.6275 19.8425 TIMING: 3572000 CPU: 11289.3, 0.0031596/step Wall: 11289.3, 0.0031596/step, 1.25331 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3572000 3975.5028 20512.4765 14480.9163 257.2521 -203163.0304 2426.2779 0.0000 0.0000 51991.3303 -109519.2745 298.7949 -161510.6048 -109161.8004 299.2890 -71.4208 -45.4450 760564.9321 7.3806 7.2990 PRESSURE: 3572200 -61.2963 208.846 150.824 208.847 -117.719 -53.245 150.824 -53.2452 -156.746 GPRESSURE: 3572200 4.6888 38.5114 187.27 133.373 -116.297 -48.5498 165.86 0.688448 -136.536 PRESSAVG: 3572200 -22.0491 -8.01038 -9.13265 -8.01039 3.83851 25.3907 -9.13258 25.3907 0.673344 GPRESSAVG: 3572200 -22.008 -6.22369 -9.24579 -8.31675 4.02472 26.0236 -11.1339 24.6909 0.501948 TIMING: 3572200 CPU: 11289.9, 0.00315498/step Wall: 11289.9, 0.00315498/step, 1.2513 hours remaining, 238.101562 MB of memory in use. ENERGY: 3572200 3994.0034 20547.1714 14431.4951 240.6383 -202990.4200 2452.8060 0.0000 0.0000 51687.3856 -109636.9202 297.0481 -161324.3058 -109283.3526 298.9857 -111.9205 -82.7147 761045.4371 -5.8458 -5.8271 LDB: ============= START OF LOAD BALANCING ============== 11302.3 LDB: ============== END OF LOAD BALANCING =============== 11302.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11302.3 LDB: ============= START OF LOAD BALANCING ============== 11302.6 LDB: Largest compute 7037 load 0.032342 is 16.5% of average load 0.196039 LDB: Average compute 0.004392 is 2.2% of average load 0.196039 LDB: TIME 11302.6 LOAD: AVG 0.196039 MAX 0.216925 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.48 MB LDB: TIME 11302.6 LOAD: AVG 0.196039 MAX 0.216925 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.59 MB LDB: TIME 11302.6 LOAD: AVG 0.196039 MAX 0.216925 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.59 MB LDB: ============== END OF LOAD BALANCING =============== 11302.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11302.6 PRESSURE: 3572400 85.345 -4.35868 -204.4 -4.35899 -248.529 157.124 -204.4 157.124 -353.194 GPRESSURE: 3572400 72.6786 -42.1793 -181.36 13.709 -179.281 115.123 -59.9412 105.706 -316.292 PRESSAVG: 3572400 -14.767 18.7032 -18.1708 18.7031 -28.6618 50.3776 -18.1708 50.3776 27.3589 GPRESSAVG: 3572400 -15.0108 16.5428 -16.8348 20.8461 -28.5953 50.0194 -17.3493 52.0442 27.3077 TIMING: 3572400 CPU: 11290.5, 0.00322332/step Wall: 11290.5, 0.00322332/step, 1.27822 hours remaining, 239.953125 MB of memory in use. ENERGY: 3572400 3903.8300 20618.8445 14380.6846 269.4920 -202930.4624 2325.9277 0.0000 0.0000 51781.1687 -109650.5149 297.5871 -161431.6835 -109278.4063 298.5392 -172.1257 -140.9649 762251.0283 -5.3566 -5.4328 PRESSURE: 3572600 -74.4035 108.835 -213.978 108.834 -113.644 -114.907 -213.978 -114.907 -225.791 GPRESSURE: 3572600 -52.0033 14.3479 -269.694 92.5593 -150.542 -75.5879 -290.314 -36.0412 -128.579 PRESSAVG: 3572600 12.776 10.7785 -41.5364 10.7786 -36.3579 49.0462 -41.5364 49.0462 -20.2568 GPRESSAVG: 3572600 12.1914 10.286 -43.6181 8.55591 -35.4028 48.903 -41.8054 47.3002 -20.6911 TIMING: 3572600 CPU: 11291.2, 0.00317115/step Wall: 11291.2, 0.00317115/step, 1.25736 hours remaining, 240.019531 MB of memory in use. ENERGY: 3572600 3981.7305 20532.0356 14419.0387 232.0960 -203477.1241 2803.8586 0.0000 0.0000 52077.1271 -109431.2377 299.2880 -161508.3648 -109077.8539 298.8924 -137.9463 -110.3748 760769.0472 -14.6129 -14.6341 PRESSURE: 3572800 28.6587 -248.8 57.7792 -248.8 -663.696 -2.29763 57.7789 -2.29787 118.987 GPRESSURE: 3572800 76.3372 -267.185 24.6182 -215.223 -562.728 -13.3169 -25.1152 -131.448 65.9318 PRESSAVG: 3572800 51.4164 29.6787 -78.9473 29.6787 -73.7145 0.831976 -78.9473 0.831901 -1.582 GPRESSAVG: 3572800 51.8176 30.0899 -77.4768 29.7829 -73.823 0.552216 -78.3871 2.23982 -2.15144 TIMING: 3572800 CPU: 11291.8, 0.00313143/step Wall: 11291.8, 0.00313143/step, 1.24144 hours remaining, 240.019531 MB of memory in use. ENERGY: 3572800 3860.6591 20412.4250 14421.0999 242.2576 -202669.2659 2209.1543 0.0000 0.0000 52004.8638 -109518.8062 298.8727 -161523.6700 -109153.9088 299.4979 -172.0169 -140.1530 761810.7945 -7.9600 -8.0523 PRESSURE: 3573000 -409.084 126.26 -201.634 126.261 -51.8931 -100.247 -201.634 -100.247 -220.956 GPRESSURE: 3573000 -383.607 22.4438 -271.393 38.7049 -59.8762 -62.4876 -77.6375 -127.611 -153.745 PRESSAVG: 3573000 46.5749 -0.542049 -7.52627 -0.542106 -88.3134 13.0928 -7.52627 13.0927 -4.66432 GPRESSAVG: 3573000 46.7762 0.909599 -7.81195 -0.796382 -88.6512 13.3059 -8.43694 12.0052 -4.05929 TIMING: 3573000 CPU: 11292.4, 0.0031527/step Wall: 11292.4, 0.0031527/step, 1.24969 hours remaining, 240.019531 MB of memory in use. ENERGY: 3573000 3996.2447 20432.4205 14376.4128 255.4469 -202731.8543 2136.9025 0.0000 0.0000 52047.0146 -109487.4123 299.1149 -161534.4270 -109123.8447 298.9280 -227.3110 -199.0763 761977.3552 -15.4676 -15.3114 PRESSURE: 3573200 81.3371 12.3205 -194.355 12.3209 32.3088 -91.4842 -194.355 -91.4838 -273.385 GPRESSURE: 3573200 98.0216 -30.2656 -266.164 54.782 98.2927 -37.4675 -153.094 47.5402 -268.996 PRESSAVG: 3573200 16.569 11.0213 -78.5163 11.0213 -13.317 -2.74199 -78.5163 -2.74198 -1.62288 GPRESSAVG: 3573200 15.9729 9.16102 -79.3583 14.0381 -12.9012 -1.92477 -77.1433 -1.25542 -1.01828 TIMING: 3573200 CPU: 11293.1, 0.00318419/step Wall: 11293.1, 0.00318419/step, 1.262 hours remaining, 240.019531 MB of memory in use. ENERGY: 3573200 3984.8477 20686.4199 14422.4765 242.5555 -203358.1817 2494.1635 0.0000 0.0000 52108.4454 -109419.2732 299.4680 -161527.7185 -109066.1127 299.1445 -53.2463 -24.2273 761925.4451 0.5431 0.6845 PRESSURE: 3573400 -97.7829 20.3382 17.4303 20.3373 -114.022 126.653 17.4294 126.652 -14.9031 GPRESSURE: 3573400 -144.621 115.896 -38.705 12.0223 -66.0839 60.4492 7.08983 100.996 50.2157 PRESSAVG: 3573400 -0.669713 -9.46546 -33.057 -9.46543 28.9802 14.0811 -33.057 14.0812 -15.8908 GPRESSAVG: 3573400 -0.543826 -8.16071 -33.9824 -12.3793 29.0963 13.6623 -34.0272 12.3212 -16.236 TIMING: 3573400 CPU: 11293.7, 0.00318185/step Wall: 11293.7, 0.00318185/step, 1.2609 hours remaining, 240.019531 MB of memory in use. ENERGY: 3573400 4016.1339 20574.1305 14446.7318 253.0901 -203451.6503 2608.2470 0.0000 0.0000 52257.0204 -109296.2967 300.3218 -161553.3171 -108937.2425 299.6342 -75.5694 -53.4963 760433.8583 4.1399 4.1055 PRESSURE: 3573600 -206.666 -1.09338 93.7515 -1.0924 -157.993 2.12235 93.752 2.12273 95.969 GPRESSURE: 3573600 -239.206 -89.1116 51.4894 77.4777 -108.17 11.6999 136.549 -2.81537 153.62 PRESSAVG: 3573600 18.1935 -27.0769 -18.8 -27.0769 -4.79307 -25.8964 -18.8 -25.8964 18.978 GPRESSAVG: 3573600 18.5802 -27.2309 -16.9149 -27.2219 -4.97567 -25.593 -18.9447 -26.6083 18.7071 TIMING: 3573600 CPU: 11294.3, 0.00318443/step Wall: 11294.3, 0.00318444/step, 1.26174 hours remaining, 240.019531 MB of memory in use. ENERGY: 3573600 4036.6949 20646.5118 14393.5451 267.0973 -203200.2878 2483.9285 0.0000 0.0000 52065.7438 -109306.7664 299.2225 -161372.5102 -108956.1300 299.5239 -89.5635 -64.5852 759789.1459 10.7928 10.7705 PRESSURE: 3573800 -347.635 -46.4629 -50.0181 -46.463 -611.486 -40.203 -50.0185 -40.2037 -429.394 GPRESSURE: 3573800 -389.857 43.8415 -68.5654 -1.31253 -561.008 -49.8586 -52.6616 -29.3376 -339.985 PRESSAVG: 3573800 25.9557 13.2978 -33.7881 13.2977 10.6762 -27.4573 -33.7881 -27.4574 -19.0134 GPRESSAVG: 3573800 25.3884 13.9659 -33.3045 14.4057 10.863 -28.8957 -35.1109 -24.7135 -18.8382 TIMING: 3573800 CPU: 11295, 0.00318482/step Wall: 11295, 0.00318482/step, 1.26172 hours remaining, 240.019531 MB of memory in use. ENERGY: 3573800 4036.7091 20614.5251 14433.3930 245.1402 -203116.3424 2260.2089 0.0000 0.0000 51998.2392 -109528.1270 298.8346 -161526.3661 -109168.0037 299.4216 -462.8384 -430.2833 762059.1717 5.8729 5.8044 PRESSURE: 3574000 -102.599 -61.0121 -251.961 -61.012 -200.638 62.4099 -251.961 62.411 180.313 GPRESSURE: 3574000 -162.341 33.7725 -234.192 -88.6473 -112.101 84.2494 -274.259 90.424 229.384 PRESSAVG: 3574000 -18.1796 68.2951 -53.4591 68.2951 6.56357 -17.6452 -53.459 -17.6451 25.8565 GPRESSAVG: 3574000 -19.1388 67.8626 -53.6083 65.9588 6.3433 -15.5373 -50.6434 -19.2058 27.1732 TIMING: 3574000 CPU: 11295.6, 0.00313575/step Wall: 11295.6, 0.00313575/step, 1.2421 hours remaining, 240.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3574000 4012.3176 20409.1317 14471.3001 226.4778 -203110.3326 2551.4739 0.0000 0.0000 52103.7824 -109335.8491 299.4412 -161439.6315 -108978.3021 299.6182 -40.9746 -15.0194 760219.3034 4.7468 4.7925 PRESSURE: 3574200 135.226 -21.4706 49.8948 -21.4716 66.9768 9.67764 49.895 9.67792 293.974 GPRESSURE: 3574200 155.829 -72.4169 70.5221 -17.9802 82.6407 8.90279 82.1563 8.12612 317.406 PRESSAVG: 3574200 22.4611 -23.3726 18.725 -23.3726 -15.7608 -13.2901 18.725 -13.2901 -23.0301 GPRESSAVG: 3574200 25.0045 -23.3754 16.7223 -22.0418 -16.157 -14.2247 19.6244 -14.5917 -24.7711 TIMING: 3574200 CPU: 11296.2, 0.003163/step Wall: 11296.2, 0.003163/step, 1.25272 hours remaining, 240.019531 MB of memory in use. ENERGY: 3574200 3973.4576 20629.5978 14422.3510 238.2274 -203223.5831 2643.3682 0.0000 0.0000 52155.5339 -109161.0472 299.7386 -161316.5811 -108800.6256 299.9368 165.3923 185.2921 762229.0802 -5.4433 -5.3079 PRESSURE: 3574400 -392.284 35.7833 74.2736 35.782 2.54053 66.9607 74.2731 66.9605 -183.027 GPRESSURE: 3574400 -247.224 -27.715 68.1962 54.807 -38.8601 36.0671 167.56 -16.2907 -203.965 PRESSAVG: 3574400 -3.61654 -18.2881 -16.0516 -18.2881 12.9351 14.3754 -16.0517 14.3755 6.70231 GPRESSAVG: 3574400 -4.22454 -17.7703 -16.5779 -17.7133 11.4383 14.7012 -16.847 15.6893 8.49661 TIMING: 3574400 CPU: 11296.9, 0.00317192/step Wall: 11296.9, 0.00317192/step, 1.25608 hours remaining, 240.019531 MB of memory in use. ENERGY: 3574400 4063.8413 20567.9171 14417.2986 255.7734 -202968.9272 2308.0676 0.0000 0.0000 52016.5518 -109339.4775 298.9398 -161356.0293 -108974.0488 299.1137 -190.9235 -163.3498 761241.9026 5.3403 5.2368 PRESSURE: 3574600 37.7821 -65.4227 54.5232 -65.4226 -173.583 151.449 54.5236 151.449 -119.532 GPRESSURE: 3574600 28.6299 -48.1326 -18.3134 -40.9039 -65.4051 251.757 -74.7571 66.3419 -144.92 PRESSAVG: 3574600 48.6082 -10.1135 -4.60488 -10.1135 -60.5626 -1.83747 -4.60481 -1.83747 4.79027 GPRESSAVG: 3574600 47.7892 -9.83172 -3.0818 -9.5087 -59.1336 -0.387539 -6.542 -2.9372 4.43123 TIMING: 3574600 CPU: 11297.5, 0.00315974/step Wall: 11297.5, 0.00315974/step, 1.25108 hours remaining, 240.019531 MB of memory in use. ENERGY: 3574600 4052.8521 20563.6277 14355.0291 252.5216 -203367.4649 2701.2259 0.0000 0.0000 52446.7883 -108995.4202 301.4124 -161442.2086 -108620.9993 299.8851 -85.1110 -60.5651 762727.6050 -2.3880 -2.3044 PRESSURE: 3574800 394.438 -225.42 113.257 -225.42 154.647 31.1454 113.256 31.1447 368.839 GPRESSURE: 3574800 447.966 -226.236 113.412 -164.685 240.925 62.8469 43.9332 119.813 319.625 PRESSAVG: 3574800 55.9922 21.6752 -23.963 21.6752 -65.0328 -5.55014 -23.963 -5.55012 -11.3258 GPRESSAVG: 3574800 56.3302 20.7042 -22.4745 19.4092 -65.852 -8.19559 -21.3544 -4.07268 -11.4204 TIMING: 3574800 CPU: 11298.1, 0.00314734/step Wall: 11298.1, 0.00314734/step, 1.246 hours remaining, 240.019531 MB of memory in use. ENERGY: 3574800 3975.4463 20656.8164 14408.5083 246.6614 -203881.2234 3153.5083 0.0000 0.0000 52229.5491 -109210.7337 300.1639 -161440.2828 -108847.7961 300.1063 305.9748 336.1719 761116.7966 -6.7888 -6.9807 PRESSURE: 3575000 -72.3213 -48.8014 -169.303 -48.8018 198.219 -10.7168 -169.304 -10.7178 40.4397 GPRESSURE: 3575000 -81.0991 -74.7927 -225.584 31.783 288.574 -16.5456 -224.739 -100.091 48.4483 PRESSAVG: 3575000 29.1658 -16.1674 20.9246 -16.1673 -23.9229 5.26663 20.9246 5.26663 8.39839 GPRESSAVG: 3575000 28.1174 -15.9886 20.4558 -15.6669 -23.9963 7.01946 20.1175 4.04741 9.60755 TIMING: 3575000 CPU: 11298.8, 0.00316274/step Wall: 11298.8, 0.00316274/step, 1.25192 hours remaining, 240.019531 MB of memory in use. ENERGY: 3575000 4011.7236 20421.0745 14404.1316 238.5209 -204008.3057 2855.1005 0.0000 0.0000 52490.7498 -109587.0047 301.6651 -162077.7545 -109210.5846 299.7137 55.4457 85.3076 760313.3289 4.5471 4.5762 PRESSURE: 3575200 -121.592 -10.2644 -73.1392 -10.2639 150.561 -58.614 -73.1394 -58.6135 -3.08761 GPRESSURE: 3575200 11.8408 -101.381 -112.893 -4.71683 154.515 -81.1737 51.5975 1.24885 -59.8964 PRESSAVG: 3575200 1.65086 10.7144 -19.8203 10.7144 -1.29078 -19.8279 -19.8203 -19.8278 -29.4907 GPRESSAVG: 3575200 2.54595 10.767 -20.981 11.9623 -1.59945 -19.8855 -21.8726 -19.6905 -30.9326 TIMING: 3575200 CPU: 11299.4, 0.00316689/step Wall: 11299.4, 0.00316688/step, 1.25338 hours remaining, 240.019531 MB of memory in use. ENERGY: 3575200 3898.7793 20680.9436 14441.2962 268.2700 -203611.2093 2734.5011 0.0000 0.0000 51891.0078 -109696.4112 298.2183 -161587.4190 -109333.3922 299.4577 8.6270 35.4865 761841.4375 -9.7102 -9.9954 PRESSURE: 3575400 -75.4721 42.246 -110.931 42.246 -79.2939 215.806 -110.931 215.806 247.691 GPRESSURE: 3575400 -77.8359 4.04031 -57.0581 43.0822 -72.1287 182.829 -164.797 241.96 316.046 PRESSAVG: 3575400 16.4372 44.7471 -28.925 44.7471 0.267911 -10.9844 -28.925 -10.9845 4.67717 GPRESSAVG: 3575400 16.2843 42.7534 -29.6825 46.3466 1.34192 -11.4035 -25.8353 -10.1519 3.69981 TIMING: 3575400 CPU: 11300, 0.00313975/step Wall: 11300, 0.00313975/step, 1.24247 hours remaining, 240.019531 MB of memory in use. ENERGY: 3575400 4033.0271 20548.7739 14401.9697 245.3235 -203853.0952 2638.7882 0.0000 0.0000 52325.0642 -109660.1485 300.7129 -161985.2127 -109297.8748 299.1641 30.9751 55.3604 760279.2809 7.1274 7.1087 PRESSURE: 3575600 -527.934 5.23517 43.1062 5.23418 -327.191 -8.16246 43.1062 -8.16264 13.6428 GPRESSURE: 3575600 -497.428 -54.8321 57.4688 51.398 -235.428 -75.8696 19.2817 76.4914 -10.4595 PRESSAVG: 3575600 -12.5496 10.9724 -43.5847 10.9723 -20.5083 -41.5159 -43.5846 -41.5158 -3.21654 GPRESSAVG: 3575600 -13.1826 13.2876 -41.4089 9.76649 -20.2184 -41.5243 -45.7686 -41.9381 -2.75477 TIMING: 3575600 CPU: 11300.7, 0.00314726/step Wall: 11300.7, 0.00314726/step, 1.24527 hours remaining, 240.019531 MB of memory in use. ENERGY: 3575600 4002.5908 20703.0346 14478.2035 244.7852 -203233.0368 2294.2428 0.0000 0.0000 51731.5701 -109778.6100 297.3020 -161510.1801 -109418.7007 298.9632 -280.4941 -247.7717 762113.8558 -12.0915 -12.0519 PRESSURE: 3575800 -339.311 93.4856 -118.034 93.4859 -113.466 -97.0577 -118.034 -97.0576 -107.417 GPRESSURE: 3575800 -189.695 33.5304 -98.7175 19.2635 -166.037 -102.361 -78.7873 -143.944 -121.798 PRESSAVG: 3575800 -42.4432 6.75651 -38.6768 6.75658 33.8467 -11.5396 -38.6768 -11.5397 -17.2388 GPRESSAVG: 3575800 -41.1892 6.5874 -39.702 5.24811 32.6154 -11.1872 -37.462 -11.7078 -17.6995 TIMING: 3575800 CPU: 11301.3, 0.0031819/step Wall: 11301.3, 0.0031819/step, 1.2588 hours remaining, 240.019531 MB of memory in use. ENERGY: 3575800 4008.9055 20540.2745 14467.7508 246.5694 -203190.6767 2263.2868 0.0000 0.0000 52029.4885 -109634.4011 299.0142 -161663.8896 -109261.1304 299.0024 -186.7317 -159.1769 760613.5445 -8.6118 -8.7577 PRESSURE: 3576000 175.761 -69.5518 40.6699 -69.5513 -380.343 -224.634 40.6701 -224.633 -193.435 GPRESSURE: 3576000 61.289 -41.564 0.199839 -97.7445 -202.154 -212.336 -10.4792 -167.165 -176.972 PRESSAVG: 3576000 37.9904 51.2933 -34.4049 51.2933 -43.7635 -45.7205 -34.4049 -45.7205 14.2657 GPRESSAVG: 3576000 37.1611 51.0029 -35.6653 51.839 -43.5803 -45.2082 -35.337 -45.1297 14.9462 TIMING: 3576000 CPU: 11301.9, 0.00314811/step Wall: 11301.9, 0.00314811/step, 1.24525 hours remaining, 240.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3576000 3933.6167 20535.1592 14437.3446 230.0814 -203985.0520 2667.7730 0.0000 0.0000 52197.2886 -109983.7886 299.9785 -162181.0771 -109625.4455 298.8138 -132.6723 -105.9455 759004.0587 2.8309 2.8424 PRESSURE: 3576200 -151.634 -75.0496 -82.384 -75.0496 -400.425 281.358 -82.3839 281.357 -328.417 GPRESSURE: 3576200 -131.629 -96.6914 -49.8475 -37.8009 -382.439 379.23 -79.5648 249.025 -297.766 PRESSAVG: 3576200 -26.1717 -20.7581 -52.525 -20.7581 7.96032 -7.48119 -52.525 -7.48112 -5.45661 GPRESSAVG: 3576200 -25.6179 -20.1267 -51.4704 -19.8423 7.63131 -7.64374 -49.9475 -7.7542 -5.33799 TIMING: 3576200 CPU: 11302.6, 0.0031311/step Wall: 11302.6, 0.0031311/step, 1.23835 hours remaining, 240.019531 MB of memory in use. ENERGY: 3576200 4020.6487 20554.5650 14375.3369 246.9105 -203629.0013 2582.0838 0.0000 0.0000 52044.7985 -109804.6579 299.1022 -161849.4564 -109438.6565 298.6802 -293.4921 -270.6114 760764.0419 -7.8893 -7.7748 LDB: ============= START OF LOAD BALANCING ============== 11314.9 LDB: ============== END OF LOAD BALANCING =============== 11314.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11314.9 LDB: ============= START OF LOAD BALANCING ============== 11315.3 LDB: Largest compute 7038 load 0.033079 is 16.9% of average load 0.196046 LDB: Average compute 0.004398 is 2.2% of average load 0.196046 LDB: TIME 11315.3 LOAD: AVG 0.196046 MAX 0.219997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.551 MB LDB: TIME 11315.3 LOAD: AVG 0.196046 MAX 0.219997 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.754 MB LDB: TIME 11315.3 LOAD: AVG 0.196046 MAX 0.217309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.754 MB LDB: ============== END OF LOAD BALANCING =============== 11315.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11315.3 PRESSURE: 3576400 -107.125 148.935 -26.7963 148.934 -85.7757 -239.73 -26.7965 -239.73 -368.158 GPRESSURE: 3576400 -1.56224 112.942 69.49 63.4488 -100.804 -159.844 -191.847 -210.671 -365.555 PRESSAVG: 3576400 35.555 -34.2767 0.875029 -34.2767 10.2533 -22.0756 0.874938 -22.0756 -10.3502 GPRESSAVG: 3576400 36.4515 -34.8875 1.47052 -34.048 10.5615 -21.7236 -2.44927 -21.7697 -11.4082 TIMING: 3576400 CPU: 11303.2, 0.00322977/step Wall: 11303.2, 0.00322977/step, 1.27719 hours remaining, 238.007812 MB of memory in use. ENERGY: 3576400 3986.1097 20653.5979 14399.6684 233.2820 -203196.0871 2277.3922 0.0000 0.0000 51759.6685 -109886.3684 297.4635 -161646.0369 -109519.5369 298.9135 -187.0198 -155.9739 760036.3131 11.8194 11.8683 PRESSURE: 3576600 -27.2648 343.056 -38.6398 343.055 -47.6682 -45.685 -38.6398 -45.6842 -175.361 GPRESSURE: 3576600 31.3553 355.189 -49.3729 262.836 -58.6793 28.3558 -143.04 -39.8096 -138.564 PRESSAVG: 3576600 18.9193 79.6102 -58.6161 79.6101 9.0805 -15.9827 -58.6161 -15.9827 -8.1708 GPRESSAVG: 3576600 17.2257 81.5582 -59.497 78.8962 9.36281 -16.4095 -59.5959 -16.9273 -7.55907 TIMING: 3576600 CPU: 11303.8, 0.00316108/step Wall: 11303.8, 0.00316108/step, 1.24985 hours remaining, 238.007812 MB of memory in use. ENERGY: 3576600 3957.4659 20576.8573 14460.2323 247.0110 -203241.9375 2471.5494 0.0000 0.0000 51848.2980 -109680.5236 297.9729 -161528.8216 -109312.4663 298.8062 -83.4314 -55.2960 760540.9949 6.6097 6.3431 PRESSURE: 3576800 -210.581 170.598 -142.166 170.599 94.1904 -106.394 -142.167 -106.394 -237.724 GPRESSURE: 3576800 -160.142 178.465 -92.1229 129.191 169.421 -50.4606 -135.098 -59.9132 -251.361 PRESSAVG: 3576800 -23.1515 11.1379 -14.8379 11.1379 18.4802 -4.03285 -14.8379 -4.0329 14.6545 GPRESSAVG: 3576800 -23.4062 10.106 -14.2424 8.81358 18.0534 -4.78956 -13.2819 -2.53614 14.9931 TIMING: 3576800 CPU: 11304.5, 0.00315956/step Wall: 11304.5, 0.00315956/step, 1.24908 hours remaining, 238.007812 MB of memory in use. ENERGY: 3576800 3978.1716 20541.4607 14494.6924 255.0143 -203679.9366 2511.9404 0.0000 0.0000 52183.6561 -109715.0011 299.9002 -161898.6572 -109344.9107 298.6994 -118.0384 -80.6939 760255.7099 3.3277 3.2135 PRESSURE: 3577000 -86.1471 114.217 -59.7576 114.216 226.305 0.453872 -59.7575 0.45379 113.027 GPRESSURE: 3577000 -25.7024 48.8424 -17.9163 104.744 191.86 -7.07087 -92.2324 -18.0355 195.647 PRESSAVG: 3577000 19.1312 -27.3234 -87.6131 -27.3235 -4.91621 -4.47384 -87.6131 -4.4738 3.92838 GPRESSAVG: 3577000 19.8789 -27.6217 -88.2644 -26.6302 -4.65245 -3.14267 -88.6004 -3.7906 3.60824 TIMING: 3577000 CPU: 11305.1, 0.00314148/step Wall: 11305.1, 0.00314148/step, 1.24176 hours remaining, 238.007812 MB of memory in use. ENERGY: 3577000 4037.1789 20467.4437 14477.3321 243.4630 -203516.8867 2668.2959 0.0000 0.0000 51685.7360 -109937.4371 297.0386 -161623.1731 -109592.7760 298.4104 84.3951 120.6016 761053.3305 6.0478 6.2782 PRESSURE: 3577200 -246.904 141.335 -9.50899 141.336 82.1066 -107.678 -9.50877 -107.678 -21.9206 GPRESSURE: 3577200 -227.39 187.14 -113.156 59.9104 183.682 -175.87 -42.4237 65.2169 -59.1139 PRESSAVG: 3577200 -48.9616 -30.5226 -19.8408 -30.5225 -14.0628 -19.2869 -19.8408 -19.2869 -6.90377 GPRESSAVG: 3577200 -48.6357 -29.8011 -21.8095 -29.7082 -14.2063 -18.9163 -17.2536 -19.987 -6.91804 TIMING: 3577200 CPU: 11305.7, 0.00315839/step Wall: 11305.7, 0.00315839/step, 1.24827 hours remaining, 238.007812 MB of memory in use. ENERGY: 3577200 3949.3906 20403.0942 14437.5393 257.1394 -203223.5586 2141.2643 0.0000 0.0000 51904.0890 -110131.0418 298.2935 -162035.1308 -109776.3734 297.7826 -62.2394 -34.2739 761122.5608 -23.3094 -23.2534 PRESSURE: 3577400 -80.4481 -100.748 -43.5805 -100.748 -225.831 104.739 -43.58 104.74 -191.209 GPRESSURE: 3577400 -156.817 -92.5282 7.97475 -73.4554 -105.713 135.336 -67.3287 118.094 -167.662 PRESSAVG: 3577400 21.1545 -31.1809 -34.8544 -31.1809 37.1462 -87.1673 -34.8544 -87.1674 -9.64232 GPRESSAVG: 3577400 20.7686 -31.8574 -30.1767 -31.2095 37.6828 -88.0286 -36.4159 -88.2156 -10.3613 TIMING: 3577400 CPU: 11306.3, 0.00314064/step Wall: 11306.3, 0.00314064/step, 1.24107 hours remaining, 238.007812 MB of memory in use. ENERGY: 3577400 3957.1118 20570.9448 14405.3821 235.8767 -203763.5952 2434.6049 0.0000 0.0000 51977.4750 -110182.1997 298.7153 -162159.6748 -109822.5573 297.8983 -165.8295 -143.3974 761579.6138 16.2194 16.0301 PRESSURE: 3577600 85.5417 -15.2542 -104.662 -15.254 260.859 -117.365 -104.662 -117.367 183.681 GPRESSURE: 3577600 158.712 -179.286 -143.737 53.1827 258.213 -60.682 -50.6778 -194.169 176.691 PRESSAVG: 3577600 -44.5729 -18.0227 3.41347 -18.0227 -8.35094 38.3097 3.4135 38.3097 16.665 GPRESSAVG: 3577600 -44.4318 -17.7824 -0.743661 -17.7905 -7.89587 36.7868 3.64309 38.7267 16.4414 TIMING: 3577600 CPU: 11307, 0.00315372/step Wall: 11307, 0.00315372/step, 1.24607 hours remaining, 238.007812 MB of memory in use. ENERGY: 3577600 4011.7874 20382.3814 14404.6619 237.2115 -203531.9481 2548.1713 0.0000 0.0000 52183.7766 -109763.9580 299.9009 -161947.7346 -109402.5136 297.9573 176.6942 197.8721 760655.8111 -12.0863 -11.9621 PRESSURE: 3577800 -85.395 25.4631 -45.5983 25.4625 -188.484 37.4171 -45.5981 37.4175 52.6369 GPRESSURE: 3577800 -78.0197 28.8797 -146.273 47.0311 -143.683 59.2279 -3.56414 164.363 73.1205 PRESSAVG: 3577800 -30.2968 -49.6162 20.4177 -49.6162 22.0921 7.82824 20.4177 7.82821 5.40523 GPRESSAVG: 3577800 -31.7463 -49.4677 21.7618 -49.5785 21.1734 9.67133 20.2848 8.68255 7.489 TIMING: 3577800 CPU: 11307.6, 0.00315407/step Wall: 11307.6, 0.00315407/step, 1.24603 hours remaining, 238.007812 MB of memory in use. ENERGY: 3577800 4005.6527 20566.1197 14467.3557 261.5762 -203674.0109 2455.6784 0.0000 0.0000 52103.7627 -109813.8656 299.4410 -161917.6283 -109455.2797 298.9019 -73.7475 -49.5274 760222.5265 -0.9332 -1.0280 PRESSURE: 3578000 -140.501 -244.375 43.9077 -244.375 -236.771 -54.84 43.9082 -54.8396 -128.074 GPRESSURE: 3578000 -96.5752 -220.182 -12.7804 -172.468 -163.026 -33.5399 155.682 -25.8214 -134.203 PRESSAVG: 3578000 -33.6246 -44.1938 -19.7635 -44.1938 39.4755 19.5362 -19.7636 19.5361 -15.9338 GPRESSAVG: 3578000 -32.2748 -43.3699 -21.1517 -44.152 40.1105 19.1796 -18.8185 19.15 -18.1124 TIMING: 3578000 CPU: 11308.2, 0.00313807/step Wall: 11308.2, 0.00313807/step, 1.23954 hours remaining, 238.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3578000 3979.7547 20599.0596 14388.8888 251.0261 -203523.5649 2208.4036 0.0000 0.0000 52158.2775 -109938.1547 299.7543 -162096.4321 -109576.2032 299.4326 -168.4489 -131.2682 759714.4962 -3.3609 -3.4256 PRESSURE: 3578200 233.555 -105.866 92.0845 -105.866 122.95 296.168 92.0845 296.169 359.045 GPRESSURE: 3578200 298.631 -100.393 86.8945 -179.41 109.038 287.795 244.273 269.797 389.325 PRESSAVG: 3578200 -19.9646 -32.9503 11.2968 -32.9503 14.709 -22.2537 11.2968 -22.2537 10.7126 GPRESSAVG: 3578200 -20.6708 -33.9075 12.0409 -32.6077 13.7303 -21.6513 10.6658 -23.8537 12.8503 TIMING: 3578200 CPU: 11308.9, 0.00313834/step Wall: 11308.9, 0.00313834/step, 1.23947 hours remaining, 238.007812 MB of memory in use. ENERGY: 3578200 3981.8053 20641.0571 14523.5601 243.9112 -204094.1573 2898.5451 0.0000 0.0000 51921.4806 -109883.7980 298.3935 -161805.2786 -109536.5782 298.6882 238.5165 265.6646 759397.1046 1.8190 1.9699 PRESSURE: 3578400 268.759 102.082 -30.4417 102.082 -143.053 144.922 -30.4419 144.922 74.9898 GPRESSURE: 3578400 156.093 61.7439 -61.7316 90.9006 14.7768 152.254 -21.3374 166.346 103.053 PRESSAVG: 3578400 35.843 -37.4196 -30.1665 -37.4197 -29.0683 26.0712 -30.1665 26.0711 -0.475637 GPRESSAVG: 3578400 35.9771 -36.9208 -29.3127 -39.9987 -29.5894 25.0557 -29.747 26.4286 -0.0208287 TIMING: 3578400 CPU: 11309.5, 0.00312879/step Wall: 11309.5, 0.00312879/step, 1.23552 hours remaining, 238.007812 MB of memory in use. ENERGY: 3578400 3969.0095 20534.9101 14398.4893 242.3719 -203332.8117 2329.5246 0.0000 0.0000 52059.8661 -109798.6403 299.1888 -161858.5064 -109442.3140 299.1864 66.8988 91.3075 759630.6967 2.0997 2.1223 PRESSURE: 3578600 -235.212 -93.9374 181.759 -93.9376 -3.50022 21.4662 181.759 21.466 -66.5469 GPRESSURE: 3578600 -157.36 -43.0036 190.211 -120.572 -7.06959 29.4007 58.1597 159.974 -59.7021 PRESSAVG: 3578600 -29.1959 2.56834 -33.1981 2.56832 7.37588 25.3153 -33.1981 25.3152 -27.0781 GPRESSAVG: 3578600 -28.8006 2.04696 -33.9889 6.17938 7.22015 24.441 -34.2724 27.274 -28.0091 TIMING: 3578600 CPU: 11310.1, 0.00315602/step Wall: 11310.1, 0.00315602/step, 1.2461 hours remaining, 238.007812 MB of memory in use. ENERGY: 3578600 3971.9390 20543.7159 14420.1041 228.8906 -203641.7582 2633.9745 0.0000 0.0000 52092.2911 -109750.8429 299.3751 -161843.1340 -109382.3687 299.2840 -101.7531 -74.7105 759797.3736 -16.2994 -16.5298 PRESSURE: 3578800 164.021 -89.721 83.6134 -89.7212 -129.472 -97.5441 83.6132 -97.5433 166.219 GPRESSURE: 3578800 135.299 -144.382 47.8013 -77.0855 -25.8512 -36.6496 138.096 -171.475 179.227 PRESSAVG: 3578800 16.1673 -25.7995 28.4663 -25.7994 -24.103 -16.7642 28.4663 -16.7641 24.3466 GPRESSAVG: 3578800 15.3199 -26.1166 28.8274 -28.5826 -23.4738 -15.8727 28.5549 -19.4249 23.784 TIMING: 3578800 CPU: 11310.8, 0.00320642/step Wall: 11310.8, 0.00320642/step, 1.26582 hours remaining, 238.007812 MB of memory in use. ENERGY: 3578800 3907.7824 20425.3391 14457.3497 244.4746 -203306.0330 2454.6161 0.0000 0.0000 52154.6121 -109661.8590 299.7333 -161816.4711 -109285.6380 299.3082 66.9228 96.2248 759923.5435 5.4703 5.2100 PRESSURE: 3579000 -24.9713 -81.8334 193.592 -81.8327 -135.24 -40.1049 193.593 -40.1053 -467.307 GPRESSURE: 3579000 -66.3486 -104.091 35.2899 -136.261 -55.5471 -46.7584 238.355 -54.8766 -415.101 PRESSAVG: 3579000 -13.4184 -2.20642 38.7674 -2.20644 -21.7041 -42.7352 38.7674 -42.7352 11.5292 GPRESSAVG: 3579000 -14.2029 -3.36712 39.002 -0.296911 -22.1922 -43.0742 39.1955 -42.5314 12.8416 TIMING: 3579000 CPU: 11311.4, 0.00316784/step Wall: 11311.4, 0.00316784/step, 1.25042 hours remaining, 238.007812 MB of memory in use. ENERGY: 3579000 3888.0907 20386.0629 14430.1115 245.6312 -202943.5931 2279.3075 0.0000 0.0000 52109.3025 -109605.0869 299.4729 -161714.3894 -109234.9135 298.8991 -209.1726 -178.9988 763269.5293 -7.8644 -7.8512 PRESSURE: 3579200 197.618 22.6049 -128.844 22.6057 -57.516 220.536 -128.844 220.536 -298.562 GPRESSURE: 3579200 169.387 27.3454 -199.328 113.236 -64.7089 199.871 -102.296 111.139 -167.172 PRESSAVG: 3579200 -42.8884 -13.9679 20.2624 -13.9679 16.0823 17.2663 20.2624 17.2663 32.4803 GPRESSAVG: 3579200 -43.352 -12.5504 21.2329 -14.263 15.4513 17.6828 17.2535 18.6191 33.3476 TIMING: 3579200 CPU: 11312, 0.0031607/step Wall: 11312, 0.0031607/step, 1.24742 hours remaining, 238.007812 MB of memory in use. ENERGY: 3579200 3891.5213 20564.9360 14424.7399 237.5923 -203129.2465 2497.9910 0.0000 0.0000 51770.0873 -109742.3788 297.5234 -161512.4661 -109391.4508 298.6135 -52.8198 -20.8312 763459.8989 1.8914 1.8156 PRESSURE: 3579400 374.417 -263.455 -280.29 -263.455 -154.501 -144.889 -280.29 -144.887 300.24 GPRESSURE: 3579400 429.85 -335.963 -294.495 -277.767 -70.4748 -101.442 -344.438 -96.7032 254.382 PRESSAVG: 3579400 -5.73897 9.0793 -61.6048 9.07935 15.0988 -2.56739 -61.6049 -2.56742 -16.1136 GPRESSAVG: 3579400 -5.02335 7.86474 -63.2556 10.7747 16.4874 -1.91271 -58.2772 -3.17834 -18.4572 TIMING: 3579400 CPU: 11312.7, 0.00314699/step Wall: 11312.7, 0.00314699/step, 1.24184 hours remaining, 238.007812 MB of memory in use. ENERGY: 3579400 4016.2429 20431.8176 14455.3304 238.5070 -203651.5127 2864.4758 0.0000 0.0000 52055.5241 -109589.6149 299.1638 -161645.1390 -109224.4552 298.7532 173.3852 204.5857 761469.2559 -2.2513 -2.3310 PRESSURE: 3579600 -347.325 167.759 115.262 167.758 -239.517 -25.4146 115.263 -25.4133 -20.7269 GPRESSURE: 3579600 -356.58 65.163 24.5488 86.3863 -181.854 43.6499 251.435 -78.9814 26.9323 PRESSAVG: 3579600 64.9563 -34.4014 -10.1179 -34.4014 -47.9351 22.2398 -10.118 22.2398 -6.3012 GPRESSAVG: 3579600 63.4873 -32.8312 -10.9703 -36.3924 -47.7011 21.3209 -9.92516 23.006 -5.05753 TIMING: 3579600 CPU: 11313.3, 0.00313421/step Wall: 11313.3, 0.00313421/step, 1.23662 hours remaining, 238.007812 MB of memory in use. ENERGY: 3579600 3935.4392 20438.5464 14480.2385 248.1361 -203275.1488 2561.5044 0.0000 0.0000 52002.7832 -109608.5010 298.8607 -161611.2842 -109251.0278 299.4350 -202.5232 -170.5004 762784.3832 3.5734 3.5762 PRESSURE: 3579800 -86.3846 -86.1766 231.55 -86.1773 -186.536 -69.8816 231.55 -69.8821 353.752 GPRESSURE: 3579800 -90.499 -120.124 193.58 39.7826 -137.648 -48.2334 142.161 29.03 386.429 PRESSAVG: 3579800 -49.9797 -16.383 22.8534 -16.383 28.0043 37.6631 22.8533 37.6631 4.08638 GPRESSAVG: 3579800 -47.4654 -14.6963 23.4964 -17.1487 26.376 38.1058 21.7073 37.914 2.96951 TIMING: 3579800 CPU: 11313.9, 0.00317052/step Wall: 11313.9, 0.00317053/step, 1.25077 hours remaining, 238.007812 MB of memory in use. ENERGY: 3579800 3946.2506 20396.9478 14397.0673 230.1525 -202652.7426 2102.3267 0.0000 0.0000 52119.1702 -109460.8275 299.5296 -161579.9977 -109100.1239 298.7441 26.9437 52.7604 762099.5338 -5.9630 -6.0400 PRESSURE: 3580000 9.96587 263.932 -221.273 263.931 -29.3534 134.822 -221.273 134.821 -223.293 GPRESSURE: 3580000 -19.8765 268.971 -220.506 176.638 3.72042 153.899 -176.511 1.93103 -137.855 PRESSAVG: 3580000 35.5954 7.57552 -22.9527 7.57554 10.0258 4.90252 -22.9527 4.9025 2.53885 GPRESSAVG: 3580000 33.2709 6.55807 -22.3222 8.78719 11.4791 5.00555 -22.2336 4.12096 3.42837 TIMING: 3580000 CPU: 11314.6, 0.00316436/step Wall: 11314.6, 0.00316436/step, 1.24817 hours remaining, 238.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3580000 4017.3474 20405.2388 14383.3027 264.5109 -203485.7859 2619.5224 0.0000 0.0000 52208.1618 -109587.7020 300.0410 -161795.8637 -109220.9473 299.3363 -80.8937 -51.3371 761425.1063 16.0534 16.0595 PRESSURE: 3580200 297.21 17.8013 -122.956 17.8001 -86.9256 -216.36 -122.957 -216.361 -80.3703 GPRESSURE: 3580200 346.172 86.8629 -120.576 -50.4857 -64.3511 -141.582 -224.647 -104.807 -48.4184 PRESSAVG: 3580200 -19.843 -0.3083 -15.3827 -0.308295 37.686 17.5759 -15.3827 17.5759 -1.49681 GPRESSAVG: 3580200 -19.8767 -2.27654 -15.7962 0.506967 37.792 17.3308 -16.4588 18.3052 -1.56337 TIMING: 3580200 CPU: 11315.2, 0.00314578/step Wall: 11315.2, 0.00314578/step, 1.24066 hours remaining, 238.007812 MB of memory in use. ENERGY: 3580200 4012.3860 20333.0195 14429.3656 251.4361 -203589.1189 2933.6242 0.0000 0.0000 51977.9073 -109651.3800 298.7177 -161629.2873 -109295.2592 298.8115 43.3046 77.8010 761938.1150 5.4487 5.4506 LDB: ============= START OF LOAD BALANCING ============== 11327.6 LDB: ============== END OF LOAD BALANCING =============== 11327.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11327.6 LDB: ============= START OF LOAD BALANCING ============== 11327.9 LDB: Largest compute 7038 load 0.033973 is 17.3% of average load 0.196105 LDB: Average compute 0.004380 is 2.2% of average load 0.196105 LDB: TIME 11327.9 LOAD: AVG 0.196105 MAX 0.218774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.27 MB LDB: TIME 11327.9 LOAD: AVG 0.196105 MAX 0.218774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.27 MB LDB: TIME 11327.9 LOAD: AVG 0.196105 MAX 0.218774 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.27 MB LDB: ============== END OF LOAD BALANCING =============== 11327.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11327.9 PRESSURE: 3580400 55.1009 -81.2196 -77.8295 -81.2196 -273.079 45.5309 -77.8301 45.5312 -267.457 GPRESSURE: 3580400 6.60931 -21.6575 -124.175 -103.804 -251.885 59.4034 -49.0677 36.5261 -164.158 PRESSAVG: 3580400 25.7654 7.53595 -48.439 7.53597 -20.9582 43.9181 -48.439 43.9181 -28.2854 GPRESSAVG: 3580400 26.7867 7.98918 -48.1198 6.98852 -21.8696 45.5787 -47.0113 44.0056 -28.2846 TIMING: 3580400 CPU: 11315.8, 0.00324043/step Wall: 11315.8, 0.00324043/step, 1.27781 hours remaining, 238.414062 MB of memory in use. ENERGY: 3580400 4033.8482 20380.3096 14392.9186 258.6464 -203200.8210 2546.1206 0.0000 0.0000 51924.6537 -109664.3238 298.4117 -161588.9776 -109297.6731 298.6194 -161.8119 -136.4779 762787.0748 -7.8261 -7.7892 PRESSURE: 3580600 -318.398 50.1487 -78.534 50.1479 -184.315 344.825 -78.5343 344.826 -465.832 GPRESSURE: 3580600 -315.704 -0.420465 -13.565 85.2294 -64.2821 305.341 -105.184 375.434 -501.254 PRESSAVG: 3580600 1.57173 -30.0811 -60.3176 -30.0812 57.9054 31.9379 -60.3176 31.9379 -11.136 GPRESSAVG: 3580600 1.16959 -30.0803 -60.3455 -29.179 58.5442 30.0277 -63.1751 32.6859 -11.6343 TIMING: 3580600 CPU: 11316.5, 0.00319387/step Wall: 11316.5, 0.00319387/step, 1.25927 hours remaining, 238.414062 MB of memory in use. ENERGY: 3580600 4017.8349 20518.2866 14368.4508 244.2980 -203020.0641 2225.8993 0.0000 0.0000 51875.3969 -109769.8976 298.1286 -161645.2944 -109406.5381 298.6851 -322.8484 -293.7466 761152.7394 16.1137 16.0265 PRESSURE: 3580800 -200.215 0.0429061 -40.4112 0.043384 -85.2768 -70.8475 -40.4111 -70.8481 -162.657 GPRESSURE: 3580800 -181.123 52.101 -6.07522 -19.3763 -129.052 10.5982 -60.698 -199.163 -51.4544 PRESSAVG: 3580800 -8.33591 26.0297 -50.2858 26.0298 -19.6518 49.475 -50.2858 49.475 3.10784 GPRESSAVG: 3580800 -8.35179 26.6564 -49.2696 27.1551 -20.0941 49.0354 -49.9967 48.3729 3.19297 TIMING: 3580800 CPU: 11317.1, 0.00315153/step Wall: 11317.1, 0.00315153/step, 1.2424 hours remaining, 238.414062 MB of memory in use. ENERGY: 3580800 4011.5545 20419.6123 14459.0017 249.9623 -203249.0701 2429.0856 0.0000 0.0000 51932.3735 -109747.4803 298.4561 -161679.8538 -109386.9677 298.4450 -149.3830 -120.5433 762183.7741 -8.2933 -8.4176 PRESSURE: 3581000 -69.6729 187.212 67.6307 187.211 -74.6344 -121.671 67.6304 -121.671 213.949 GPRESSURE: 3581000 -47.2227 77.8998 17.329 206.866 -23.3716 -115.557 -3.74901 -132.258 235.826 PRESSAVG: 3581000 -24.8736 2.55236 -40.0828 2.55244 23.4534 15.1602 -40.0828 15.1601 -4.23302 GPRESSAVG: 3581000 -23.979 1.87664 -41.2269 1.5533 21.7421 16.0272 -38.5317 14.1282 -3.71846 TIMING: 3581000 CPU: 11317.7, 0.00314007/step Wall: 11317.7, 0.00314007/step, 1.23771 hours remaining, 238.414062 MB of memory in use. ENERGY: 3581000 4031.9888 20454.2297 14401.8754 239.7762 -203225.9715 2440.6357 0.0000 0.0000 51953.3123 -109704.1533 298.5764 -161657.4656 -109342.5356 298.3205 23.2140 55.0771 761470.7699 -1.8844 -1.9851 PRESSURE: 3581200 -7.36676 -41.3847 132.879 -41.3859 -113.58 34.4157 132.878 34.4155 121.634 GPRESSURE: 3581200 -15.7795 57.0763 72.3939 12.9271 -89.4711 25.4055 121.986 97.0302 189.295 PRESSAVG: 3581200 -53.7675 11.081 -46.9585 11.081 80.8102 63.0179 -46.9585 63.0179 -18.1796 GPRESSAVG: 3581200 -54.8373 11.6102 -47.3199 11.8111 82.1364 61.9978 -48.3364 65.7695 -18.9267 TIMING: 3581200 CPU: 11318.4, 0.00318254/step Wall: 11318.4, 0.00318254/step, 1.25427 hours remaining, 238.414062 MB of memory in use. ENERGY: 3581200 3952.2659 20516.5438 14316.9962 224.8017 -202925.1195 2362.9788 0.0000 0.0000 51867.1186 -109684.4146 298.0810 -161551.5332 -109332.9301 298.9408 0.2292 28.0148 762565.7141 2.9544 2.7908 PRESSURE: 3581400 -111.839 105.352 -264.105 105.352 157.751 -79.8244 -264.106 -79.8245 -126.809 GPRESSURE: 3581400 -60.0391 2.66343 -222.407 23.2746 159.422 -84.0367 -203.161 -247.158 -103.795 PRESSAVG: 3581400 -62.1411 26.1768 -11.9003 26.1768 29.2423 -38.3183 -11.9002 -38.3182 -34.4445 GPRESSAVG: 3581400 -62.2139 25.8068 -13.0586 25.0547 28.7223 -37.8492 -7.80782 -40.4256 -34.043 TIMING: 3581400 CPU: 11319, 0.00315866/step Wall: 11319, 0.00315866/step, 1.24469 hours remaining, 238.414062 MB of memory in use. ENERGY: 3581400 3944.2359 20501.3517 14395.5418 242.1877 -203288.6573 2744.6262 0.0000 0.0000 51937.6121 -109523.1019 298.4862 -161460.7140 -109149.5485 298.6268 -26.9659 -1.4708 762151.4677 -22.4477 -22.5116 PRESSURE: 3581600 -121.279 260.722 129.354 260.723 212.914 -67.2724 129.355 -67.2717 -147.505 GPRESSURE: 3581600 -48.9836 297.34 53.7405 276.582 190.66 -58.3626 25.8221 -155.969 -118.72 PRESSAVG: 3581600 -20.8328 46.4161 -68.4998 46.4161 12.8598 -76.832 -68.4998 -76.832 16.3306 GPRESSAVG: 3581600 -19.8753 45.3899 -65.1845 46.5241 12.5674 -76.4964 -71.7077 -77.9747 15.5694 TIMING: 3581600 CPU: 11319.6, 0.0031572/step Wall: 11319.6, 0.0031572/step, 1.24394 hours remaining, 238.414062 MB of memory in use. ENERGY: 3581600 3997.0777 20481.5921 14419.6937 245.8594 -203339.0620 2814.2380 0.0000 0.0000 51937.4180 -109443.1830 298.4851 -161380.6010 -109091.6742 299.5345 -18.6233 7.6522 762868.6589 2.7859 2.7539 PRESSURE: 3581800 -38.6367 32.254 -65.734 32.2541 287.733 161.113 -65.7333 161.112 -126.309 GPRESSURE: 3581800 14.3692 129.621 -6.95327 27.9709 303.681 153.983 -122.408 50.6873 -104.86 PRESSAVG: 3581800 13.3812 34.0353 -27.5036 34.0353 8.25927 26.5155 -27.5036 26.5156 21.6013 GPRESSAVG: 3581800 12.5802 34.2111 -29.1917 34.5887 9.02306 25.9492 -28.2865 29.2857 21.462 TIMING: 3581800 CPU: 11320.3, 0.00314553/step Wall: 11320.3, 0.00314553/step, 1.23916 hours remaining, 238.414062 MB of memory in use. ENERGY: 3581800 3941.5638 20501.5301 14438.4271 238.5670 -202839.5288 2384.1481 0.0000 0.0000 52227.2200 -109108.0726 300.1506 -161335.2926 -108745.2514 299.3805 40.9292 71.0632 762687.0683 14.4139 14.3551 PRESSURE: 3582000 -110.741 15.6538 206.227 15.6547 -243.683 -265.932 206.228 -265.932 -263.146 GPRESSURE: 3582000 -147.971 9.29881 156.153 -14.7084 -150.728 -292.861 200.715 -78.5214 -218.455 PRESSAVG: 3582000 43.7191 -18.835 -1.28417 -18.835 -42.4565 -12.0471 -1.28416 -12.047 11.9499 GPRESSAVG: 3582000 42.9497 -16.3923 -0.906018 -18.734 -42.5743 -12.157 -1.41392 -12.0084 12.9536 TIMING: 3582000 CPU: 11320.9, 0.00316391/step Wall: 11320.9, 0.00316391/step, 1.24623 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3582000 3999.5192 20433.4408 14468.7700 294.3491 -203377.7679 2808.0891 0.0000 0.0000 52146.4656 -109227.1340 299.6865 -161373.5996 -108857.7122 299.6352 -205.8568 -172.3847 762757.7543 4.4041 4.4430 PRESSURE: 3582200 99.4997 141.945 -93.2361 141.944 -399.48 63.1659 -93.236 63.1658 -458.41 GPRESSURE: 3582200 122.726 257.856 -144.655 116.88 -391.507 109.08 -42.1593 -95.9336 -397.534 PRESSAVG: 3582200 11.1955 -52.7318 -24.152 -52.7317 -14.7863 -4.51561 -24.152 -4.51562 -21.7917 GPRESSAVG: 3582200 11.9813 -54.2672 -23.8523 -53.43 -14.7969 -5.22596 -23.1028 -5.20253 -22.5864 TIMING: 3582200 CPU: 11321.5, 0.00313311/step Wall: 11321.5, 0.00313311/step, 1.23392 hours remaining, 238.414062 MB of memory in use. ENERGY: 3582200 3946.7156 20444.6914 14452.0922 228.2758 -202692.4641 2324.1903 0.0000 0.0000 52263.4695 -109033.0294 300.3589 -161296.4990 -108657.3722 299.6891 -252.7970 -222.1052 765209.2527 -8.4608 -8.4673 PRESSURE: 3582400 -81.1155 -296.582 -146.847 -296.583 198.742 -64.2866 -146.848 -64.2876 342.36 GPRESSURE: 3582400 -52.6588 -235.612 -132.973 -214.027 240.333 -75.2562 -189.568 70.8579 341.701 PRESSAVG: 3582400 60.9072 14.1607 32.1044 14.1607 -21.5136 4.23313 32.1044 4.2331 1.51977 GPRESSAVG: 3582400 59.7747 14.0803 30.1676 15.5918 -20.1464 4.72708 31.9384 3.84738 1.28352 TIMING: 3582400 CPU: 11322.1, 0.0031528/step Wall: 11322.1, 0.0031528/step, 1.2415 hours remaining, 238.414062 MB of memory in use. ENERGY: 3582400 3989.9880 20408.1856 14461.6289 249.3821 -202651.3872 2297.7015 0.0000 0.0000 52426.4683 -108818.0329 301.2956 -161244.5012 -108454.2273 300.4704 153.3291 176.4583 762976.7564 13.6378 13.6373 PRESSURE: 3582600 -258.458 -140.708 -111.327 -140.708 -39.6401 -146.645 -111.327 -146.644 -123.191 GPRESSURE: 3582600 -120.373 -119.289 -117.313 -40.7908 -152.087 -211.148 -93.4155 -64.8439 -74.391 PRESSAVG: 3582600 5.71969 -19.3032 27.7359 -19.3033 8.15865 10.9235 27.7359 10.9236 11.2369 GPRESSAVG: 3582600 6.42807 -19.294 30.2502 -19.1664 7.32935 13.93 26.7292 9.06711 11.7281 TIMING: 3582600 CPU: 11322.8, 0.00313845/step Wall: 11322.8, 0.00313844/step, 1.23568 hours remaining, 238.414062 MB of memory in use. ENERGY: 3582600 3961.7916 20593.0272 14430.8256 263.4717 -202684.1753 2437.1052 0.0000 0.0000 52095.8107 -108902.1432 299.3953 -160997.9539 -108544.3206 300.0127 -140.4296 -115.6170 762907.9857 8.3717 8.4952 PRESSURE: 3582800 -452.517 -32.6715 -30.9685 -32.6714 -79.1797 41.464 -30.969 41.4638 30.3697 GPRESSURE: 3582800 -320.635 -26.7156 -59.8854 15.0717 -12.3174 92.0479 230.967 120.365 -79.1183 PRESSAVG: 3582800 -42.7883 2.91371 -9.93772 2.91368 -0.558287 -8.00926 -9.93774 -8.0093 6.35243 GPRESSAVG: 3582800 -40.9227 1.83069 -10.5848 1.86844 -0.98046 -10.1861 -6.89446 -5.90279 5.28576 TIMING: 3582800 CPU: 11323.4, 0.00315989/step Wall: 11323.4, 0.00315989/step, 1.24394 hours remaining, 238.414062 MB of memory in use. ENERGY: 3582800 3979.1672 20621.9317 14388.8475 251.3497 -202755.1163 2175.0622 0.0000 0.0000 52341.5234 -108997.2346 300.8075 -161338.7580 -108634.6244 300.0418 -167.1091 -137.3568 763121.7807 -12.3314 -12.2058 PRESSURE: 3583000 -141.302 -164.782 -149.516 -164.782 -334.898 -26.8419 -149.517 -26.8418 -379.107 GPRESSURE: 3583000 -187.001 -227.54 -177.041 -201.354 -270.836 -37.9849 -92.8803 9.74279 -294.413 PRESSAVG: 3583000 19.0416 24.8578 67.7409 24.8577 -0.639113 -26.0009 67.7408 -26.0009 -8.48865 GPRESSAVG: 3583000 16.9442 25.1368 67.6053 24.8856 0.779861 -25.5598 65.5453 -26.3597 -7.97419 TIMING: 3583000 CPU: 11324, 0.0031418/step Wall: 11324, 0.0031418/step, 1.23665 hours remaining, 238.414062 MB of memory in use. ENERGY: 3583000 3960.2913 20542.6873 14484.0077 251.0088 -203126.2578 2481.5227 0.0000 0.0000 52368.1583 -109038.5815 300.9605 -161406.7399 -108677.8279 300.2204 -285.1023 -250.7500 762133.2094 3.3046 3.2500 PRESSURE: 3583200 -229.948 -9.09796 9.02212 -9.0984 -151.505 -48.2237 9.02172 -48.2242 -368.809 GPRESSURE: 3583200 -104.625 -51.4076 52.6544 -4.77211 -242.058 -115.028 87.7961 128.263 -311.597 PRESSAVG: 3583200 -7.83497 -16.9636 -35.4941 -16.9636 34.5137 -57.1022 -35.4939 -57.1022 -11.7366 GPRESSAVG: 3583200 -7.40933 -18.731 -35.2155 -16.0387 33.8476 -58.3318 -33.5247 -56.2139 -11.4838 TIMING: 3583200 CPU: 11324.7, 0.00316139/step Wall: 11324.7, 0.00316139/step, 1.24418 hours remaining, 238.414062 MB of memory in use. ENERGY: 3583200 4013.7313 20644.8309 14382.3597 255.4386 -203155.3725 2484.4415 0.0000 0.0000 52192.3381 -109182.2323 299.9501 -161374.5704 -108810.8247 300.1494 -250.0875 -219.4265 763171.9218 4.9807 4.9848 PRESSURE: 3583400 -513.727 46.3936 130.956 46.3936 -279.049 102.046 130.956 102.047 -457.618 GPRESSURE: 3583400 -431.332 11.6326 74.711 66.8238 -226.557 -0.0795395 26.6504 5.60847 -491.527 PRESSAVG: 3583400 -44.5228 -32.2934 8.91612 -32.2934 -16.869 -71.3697 8.91619 -71.3698 -4.13054 GPRESSAVG: 3583400 -43.6178 -31.7863 7.79734 -31.6744 -16.9956 -72.1163 7.7656 -71.3842 -4.59902 TIMING: 3583400 CPU: 11325.3, 0.00316137/step Wall: 11325.3, 0.00316137/step, 1.244 hours remaining, 238.414062 MB of memory in use. ENERGY: 3583400 4043.8211 20673.9548 14461.5940 255.3967 -202866.5426 2255.6523 0.0000 0.0000 52060.3805 -109115.7432 299.1917 -161176.1237 -108756.7418 300.3237 -416.7980 -383.1390 763504.5878 -21.8408 -21.7375 PRESSURE: 3583600 -104.059 149.149 -71.664 149.149 217.545 -104.413 -71.663 -104.413 -130.34 GPRESSURE: 3583600 -77.7857 143.523 28.0409 196.771 367.642 -55.3351 -74.5467 -108.076 -224.416 PRESSAVG: 3583600 -3.40909 -16.148 -31.4518 -16.1481 -18.99 -70.9576 -31.4517 -70.9576 17.3634 GPRESSAVG: 3583600 -4.39221 -12.6058 -32.0032 -16.8062 -19.0516 -68.4344 -32.998 -73.4783 18.3848 TIMING: 3583600 CPU: 11325.9, 0.00315252/step Wall: 11325.9, 0.00315252/step, 1.24034 hours remaining, 238.414062 MB of memory in use. ENERGY: 3583600 4025.2040 20586.1372 14409.1731 263.6655 -203238.1533 2599.5564 0.0000 0.0000 52225.2367 -109129.1803 300.1392 -161354.4170 -108772.9211 299.7316 -5.6177 21.8134 763141.4248 -1.6785 -1.6863 PRESSURE: 3583800 -202.612 176.488 159.831 176.488 89.0333 155.63 159.831 155.632 90.7539 GPRESSURE: 3583800 -91.7093 121.813 113.52 66.807 139.356 257.059 148.79 57.1853 17.3308 PRESSAVG: 3583800 54.3282 -26.4664 34.7454 -26.4664 -17.6145 -17.2005 34.7454 -17.2005 3.50626 GPRESSAVG: 3583800 54.4532 -30.6091 36.4102 -26.7424 -17.563 -18.5493 35.8627 -16.6147 3.12376 TIMING: 3583800 CPU: 11326.6, 0.00315748/step Wall: 11326.6, 0.00315748/step, 1.24212 hours remaining, 238.414062 MB of memory in use. ENERGY: 3583800 4004.3636 20646.8701 14416.7901 275.8118 -203511.7439 2578.4041 0.0000 0.0000 52087.0910 -109502.4131 299.3452 -161589.5042 -109148.4272 299.4879 -7.6081 21.6592 760504.6482 13.4067 13.3380 PRESSURE: 3584000 -188.894 -117.574 -98.2435 -117.574 -213.512 47.3419 -98.2431 47.3421 -90.0987 GPRESSURE: 3584000 -100.411 -175.068 -214.894 -112.183 -203.424 -54.1505 -199.628 20.4181 -103.179 PRESSAVG: 3584000 -11.0768 -3.63437 57.8774 -3.63433 14.6281 -11.8267 57.8774 -11.8268 11.615 GPRESSAVG: 3584000 -10.5751 -3.05087 57.8482 -3.90223 13.555 -12.0285 56.3 -10.4127 11.7094 TIMING: 3584000 CPU: 11327.2, 0.00317549/step Wall: 11327.2, 0.00317549/step, 1.24902 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3584000 4031.8921 20347.8803 14526.5703 224.4816 -203242.0108 2570.1336 0.0000 0.0000 52069.9542 -109471.0986 299.2467 -161541.0528 -109116.2805 299.7465 -164.1684 -135.6714 762174.3080 5.0554 4.8964 PRESSURE: 3584200 -7.57992 -16.7622 22.5704 -16.7624 102.75 -244.092 22.5698 -244.093 104.646 GPRESSURE: 3584200 28.6485 -67.0128 67.5458 13.6778 91.9731 -212.697 28.8211 -92.8575 160.528 PRESSAVG: 3584200 16.3701 -12.5927 36.8298 -12.5927 4.83548 -23.502 36.8298 -23.5021 -23.3232 GPRESSAVG: 3584200 15.0091 -12.408 37.1148 -12.9681 6.35686 -23.0731 36.7897 -23.1953 -23.3375 TIMING: 3584200 CPU: 11327.8, 0.00319841/step Wall: 11327.8, 0.00319841/step, 1.25787 hours remaining, 238.414062 MB of memory in use. ENERGY: 3584200 3985.5609 20448.5975 14490.2390 249.9575 -203608.5845 2729.1023 0.0000 0.0000 52147.3996 -109557.7277 299.6918 -161705.1273 -109193.2075 299.4095 66.6053 93.7164 760450.4065 -0.7059 -0.6572 LDB: ============= START OF LOAD BALANCING ============== 11340.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11340.2 LDB: =============== DONE WITH MIGRATION ================ 11340.2 LDB: ============= START OF LOAD BALANCING ============== 11340.6 LDB: Largest compute 7068 load 0.035238 is 18.0% of average load 0.195998 LDB: Average compute 0.004411 is 2.3% of average load 0.195998 LDB: TIME 11340.6 LOAD: AVG 0.195998 MAX 0.217863 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 11340.6 LOAD: AVG 0.195998 MAX 0.217863 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 11340.6 LOAD: AVG 0.195998 MAX 0.217863 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 11340.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11340.6 PRESSURE: 3584400 -316.504 291.353 -202.709 291.354 -216.864 167.917 -202.709 167.917 -86.5997 GPRESSURE: 3584400 -313.65 240.908 -220.832 302.665 -75.4016 155.786 -35.059 98.193 -139.53 PRESSAVG: 3584400 59.1816 15.1191 -5.90945 15.1192 0.626552 -53.5138 -5.90946 -53.5139 -8.88082 GPRESSAVG: 3584400 59.8343 14.4333 -7.2856 15.1712 -0.133531 -54.0703 -2.97057 -53.0005 -8.55262 TIMING: 3584400 CPU: 11328.5, 0.00323787/step Wall: 11328.5, 0.00323787/step, 1.2732 hours remaining, 239.125000 MB of memory in use. ENERGY: 3584400 4018.2069 20475.6283 14525.9432 232.2159 -203153.8862 2164.3699 0.0000 0.0000 52192.2507 -109545.2713 299.9496 -161737.5221 -109175.7312 298.9181 -206.6557 -176.1940 760335.4187 16.9758 17.0494 PRESSURE: 3584600 -99.3637 199.34 225.74 199.34 314.087 185.709 225.741 185.71 -378.827 GPRESSURE: 3584600 -52.2508 183.225 170.631 149.938 353.357 288.134 306.013 158.57 -381.664 PRESSAVG: 3584600 7.44102 43.7123 20.8463 43.7122 -7.58504 -35.2046 20.8463 -35.2047 -4.72208 GPRESSAVG: 3584600 7.08394 43.9318 19.8755 43.4122 -7.62449 -34.6754 20.0669 -39.3754 -4.18068 TIMING: 3584600 CPU: 11329.1, 0.00321938/step Wall: 11329.1, 0.00321938/step, 1.26575 hours remaining, 239.195312 MB of memory in use. ENERGY: 3584600 4004.2516 20403.7877 14452.6581 225.2470 -203772.5790 2651.3073 0.0000 0.0000 52211.4829 -109823.8444 300.0601 -162035.3274 -109457.9012 299.0827 -54.7013 -26.8526 760438.7492 -1.6220 -1.5737 PRESSURE: 3584800 127.235 -132.975 190.135 -132.975 -73.3924 -29.541 190.135 -29.5406 -90.9473 GPRESSURE: 3584800 167.681 -73.7543 102.773 -142.676 -0.531653 -30.5379 276.45 -127.16 -106.137 PRESSAVG: 3584800 22.3459 13.2788 -15.1721 13.2789 -17.0212 -19.8555 -15.172 -19.8555 -4.3385 GPRESSAVG: 3584800 22.7623 12.675 -12.6735 13.9584 -16.7357 -19.8735 -15.9821 -17.923 -4.73335 TIMING: 3584800 CPU: 11329.8, 0.00319648/step Wall: 11329.8, 0.00319648/step, 1.25657 hours remaining, 239.195312 MB of memory in use. ENERGY: 3584800 4065.9007 20573.3381 14456.0593 234.1452 -203919.9394 2782.7297 0.0000 0.0000 51907.5668 -109900.1995 298.3135 -161807.7663 -109543.8974 298.7175 -12.3682 20.3373 759724.5032 0.3287 0.4311 PRESSURE: 3585000 246.361 41.6975 -62.1313 41.6987 106.672 -372.218 -62.1315 -372.218 -78.2753 GPRESSURE: 3585000 161.944 43.2736 -51.4016 69.3944 199.763 -321.199 -141.589 -302.543 -12.2129 PRESSAVG: 3585000 -5.08085 0.0508684 39.9546 0.0508662 10.2683 -7.48118 39.9545 -7.48129 -6.44922 GPRESSAVG: 3585000 -6.69405 -0.440585 38.6201 0.175594 10.7722 -7.84631 40.8196 -7.30196 -5.51508 TIMING: 3585000 CPU: 11330.4, 0.00318295/step Wall: 11330.4, 0.00318295/step, 1.25108 hours remaining, 239.195312 MB of memory in use. ENERGY: 3585000 3953.6417 20425.5765 14452.1410 238.5013 -203903.3763 3253.7478 0.0000 0.0000 52042.9727 -109536.7955 299.0917 -161579.7682 -109179.1390 299.2098 91.5859 116.4982 761868.9660 -0.4206 -0.4790 PRESSURE: 3585200 -134.923 -127.655 -327.019 -127.656 229.815 36.203 -327.019 36.203 -61.3743 GPRESSURE: 3585200 -122.764 -198.91 -343.323 -219.436 264.175 29.4725 -248.558 94.3123 -35.5481 PRESSAVG: 3585200 2.15853 9.99742 -24.0547 9.99742 -17.4466 28.6412 -24.0547 28.6411 1.70277 GPRESSAVG: 3585200 2.37369 10.6913 -23.302 10.3992 -18.0182 27.1376 -25.2688 30.2974 1.82391 TIMING: 3585200 CPU: 11331, 0.0031689/step Wall: 11331, 0.0031689/step, 1.24538 hours remaining, 239.195312 MB of memory in use. ENERGY: 3585200 4035.5714 20499.7387 14499.7917 292.0157 -203705.6628 2719.2637 0.0000 0.0000 51968.3403 -109690.9413 298.6628 -161659.2816 -109333.9674 298.6714 11.1725 35.2877 759879.0245 -4.5284 -4.6069 PRESSURE: 3585400 17.422 -103.361 113.907 -103.361 202.273 32.5945 113.908 32.5954 119.311 GPRESSURE: 3585400 103.079 -35.0546 129.852 -113.753 220.359 61.9057 58.1114 -67.2652 103.196 PRESSAVG: 3585400 -71.95 23.515 27.9562 23.515 79.344 4.6925 27.9562 4.6925 22.4423 GPRESSAVG: 3585400 -70.6566 23.0046 27.6024 23.3551 79.9679 6.24352 28.2744 3.2725 20.8765 TIMING: 3585400 CPU: 11331.7, 0.00316687/step Wall: 11331.7, 0.00316687/step, 1.2444 hours remaining, 239.195312 MB of memory in use. ENERGY: 3585400 4073.7339 20515.7477 14392.6429 257.7024 -203348.4280 2559.2275 0.0000 0.0000 51898.3235 -109651.0502 298.2604 -161549.3737 -109296.6285 298.5669 113.0021 142.2112 760202.8642 9.9454 10.0626 PRESSURE: 3585600 -374.979 112.51 -216.889 112.51 -187.223 17.5594 -216.888 17.5603 -92.1077 GPRESSURE: 3585600 -233.764 169.62 -196.336 173.457 -228.369 19.0756 -240.163 -76.2837 -92.4656 PRESSAVG: 3585600 -19.1925 -24.0352 -7.50127 -24.0352 41.1887 15.5889 -7.50134 15.589 -3.29266 GPRESSAVG: 3585600 -20.2448 -23.0542 -7.6926 -25.0572 40.159 15.5711 -9.10922 15.3947 -0.919109 TIMING: 3585600 CPU: 11332.3, 0.00315291/step Wall: 11332.3, 0.00315291/step, 1.23874 hours remaining, 239.195312 MB of memory in use. ENERGY: 3585600 3892.4956 20563.1638 14433.1405 240.6976 -203302.6152 2416.7987 0.0000 0.0000 52046.9884 -109709.3304 299.1148 -161756.3189 -109335.5667 298.5207 -218.1032 -184.8663 760801.5962 6.2345 6.3317 PRESSURE: 3585800 332.683 43.8978 -236.941 43.8984 -181.064 10.743 -236.94 10.7427 -99.5971 GPRESSURE: 3585800 231.46 29.9451 -177.683 106.89 -52.3738 6.32013 -202.36 -115.585 -35.9996 PRESSAVG: 3585800 21.0134 -21.1998 -52 -21.1999 -14.9857 38.4206 -52 38.4206 28.6673 GPRESSAVG: 3585800 21.7533 -22.3079 -51.7546 -20.1326 -14.2774 35.8513 -50.6354 39.9337 27.5552 TIMING: 3585800 CPU: 11332.9, 0.00315548/step Wall: 11332.9, 0.00315548/step, 1.23958 hours remaining, 239.195312 MB of memory in use. ENERGY: 3585800 4048.0516 20589.9482 14370.5332 253.0960 -203532.9224 2632.2344 0.0000 0.0000 51849.0549 -109790.0041 297.9772 -161639.0591 -109426.8329 298.5085 17.3405 47.6956 760499.4753 11.5650 11.6770 PRESSURE: 3586000 71.3313 81.948 -99.7736 81.9475 207.537 -20.7742 -99.7733 -20.7738 37.664 GPRESSURE: 3586000 79.3355 118.536 -3.53914 195.722 212.539 -10.9461 -125.947 -37.243 122.329 PRESSAVG: 3586000 1.40068 -41.2692 -30.048 -41.2692 14.1565 37.1538 -30.0479 37.1538 -3.27198 GPRESSAVG: 3586000 0.381398 -38.8409 -29.976 -42.6026 14.3797 39.187 -31.7329 36.3393 -2.40145 TIMING: 3586000 CPU: 11333.6, 0.0031617/step Wall: 11333.6, 0.0031617/step, 1.24184 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3586000 3937.6604 20433.3997 14347.1125 243.0118 -203521.4680 2733.5647 0.0000 0.0000 51966.4698 -109860.2490 298.6520 -161826.7189 -109494.6363 298.2980 105.5109 138.0680 762566.4143 4.0951 4.1199 PRESSURE: 3586200 62.9998 -24.9971 72.2794 -24.9957 -107.865 20.3997 72.2793 20.401 98.0628 GPRESSURE: 3586200 75.963 30.6641 44.1947 31.367 -19.433 14.6339 112.834 147.538 85.3851 PRESSAVG: 3586200 26.2156 -40.2806 7.88086 -40.2807 -0.372161 37.3161 7.8809 37.3162 -17.9644 GPRESSAVG: 3586200 26.7918 -42.4794 6.85335 -38.6804 0.408362 37.1288 10.6428 37.1397 -19.5048 TIMING: 3586200 CPU: 11334.2, 0.00315893/step Wall: 11334.2, 0.00315893/step, 1.24058 hours remaining, 239.195312 MB of memory in use. ENERGY: 3586200 3964.2213 20569.1342 14425.1642 229.6833 -203331.2196 2375.0698 0.0000 0.0000 52025.9825 -109741.9643 298.9940 -161767.9468 -109372.6457 299.0437 17.7324 47.3050 759668.6909 2.6264 2.5651 PRESSURE: 3586400 -57.5396 4.90516 161.721 4.90476 23.6572 47.4 161.72 47.4009 -116.411 GPRESSURE: 3586400 -33.1257 2.86524 238.585 -69.6541 96.2923 -44.2243 110.599 42.119 -116.72 PRESSAVG: 3586400 -22.0234 48.1536 -16.9752 48.1536 14.5444 -17.1815 -16.9752 -17.1814 -26.0059 GPRESSAVG: 3586400 -20.3705 50.4178 -17.7003 47.5337 14.0202 -14.8056 -18.0102 -16.9609 -26.9968 TIMING: 3586400 CPU: 11334.8, 0.0031633/step Wall: 11334.8, 0.0031633/step, 1.24212 hours remaining, 239.195312 MB of memory in use. ENERGY: 3586400 4017.3817 20518.9778 14383.9228 275.0895 -203797.6816 2776.7190 0.0000 0.0000 52140.2131 -109685.3776 299.6505 -161825.5907 -109321.3090 298.7973 -50.0979 -17.8513 759497.6244 -11.1616 -11.1157 PRESSURE: 3586600 -179.148 -169.586 69.8374 -169.586 -428.138 198.598 69.837 198.598 -98.5408 GPRESSURE: 3586600 -245.54 -145.251 45.8867 -151.69 -274.947 169.69 80.1861 185.786 -93.9363 PRESSAVG: 3586600 -22.8813 9.79676 -51.1326 9.79676 40.871 96.9897 -51.1325 96.9897 3.40628 GPRESSAVG: 3586600 -24.0457 8.12308 -49.6293 11.1717 40.9664 92.8615 -52.9613 98.5659 3.98885 TIMING: 3586600 CPU: 11335.5, 0.00314327/step Wall: 11335.5, 0.00314327/step, 1.23408 hours remaining, 239.195312 MB of memory in use. ENERGY: 3586600 4011.9573 20602.6876 14482.1694 234.5853 -203311.6552 2423.6034 0.0000 0.0000 51847.5244 -109709.1278 297.9684 -161556.6522 -109346.5490 299.2821 -235.2758 -204.8079 761167.4356 7.1320 6.9698 PRESSURE: 3586800 -160.141 89.5098 -32.6765 89.5094 345.805 -81.8948 -32.6766 -81.8962 -146.004 GPRESSURE: 3586800 -96.1762 25.129 -33.793 69.6608 358.266 -49.5135 2.3427 36.9372 -118.962 PRESSAVG: 3586800 -57.5787 29.1838 0.262503 29.1837 61.752 11.8116 0.262503 11.8116 5.96922 GPRESSAVG: 3586800 -56.9865 27.2809 1.04756 29.1895 60.8987 13.0552 -0.436102 12.478 6.38559 TIMING: 3586800 CPU: 11336.1, 0.00314891/step Wall: 11336.1, 0.00314891/step, 1.23612 hours remaining, 239.195312 MB of memory in use. ENERGY: 3586800 3991.9489 20425.0592 14405.1953 234.3063 -203662.1565 2860.2554 0.0000 0.0000 52066.1693 -109679.2221 299.2250 -161745.3914 -109310.6653 299.1158 13.2201 47.7091 761658.9629 3.3808 3.4326 PRESSURE: 3587000 53.407 -35.0253 -17.9826 -35.0247 130.309 61.8797 -17.9835 61.8802 252.718 GPRESSURE: 3587000 179.166 -109.219 63.2801 -16.0422 88.3844 -0.585373 -183.555 -28.8357 242.459 PRESSAVG: 3587000 -25.2256 10.4719 28.7224 10.4718 38.7255 -46.1787 28.7224 -46.1787 -28.5814 GPRESSAVG: 3587000 -25.2497 13.6899 27.878 9.55751 38.7402 -45.2682 31.3776 -48.3003 -28.6122 TIMING: 3587000 CPU: 11336.7, 0.00316459/step Wall: 11336.7, 0.00316459/step, 1.2421 hours remaining, 239.195312 MB of memory in use. ENERGY: 3587000 4004.7039 20526.2727 14462.0674 240.3837 -203634.9512 2938.4762 0.0000 0.0000 51951.0018 -109512.0454 298.5631 -161463.0472 -109159.6626 298.9733 145.4782 170.0034 761821.3737 -5.0272 -5.0406 PRESSURE: 3587200 -51.4428 107.704 107.913 107.705 3.21382 23.0179 107.912 23.0187 320.511 GPRESSURE: 3587200 58.5921 139.272 136.935 -95.6388 7.07402 29.5887 78.5872 -90.7478 300.34 PRESSAVG: 3587200 -13.7452 46.6358 26.0302 46.6358 7.82988 3.16985 26.0301 3.16981 2.40255 GPRESSAVG: 3587200 -14.2912 44.8792 24.8135 47.1826 8.8894 3.56848 25.1329 0.917731 1.58775 TIMING: 3587200 CPU: 11337.4, 0.00317828/step Wall: 11337.4, 0.00317828/step, 1.2473 hours remaining, 239.195312 MB of memory in use. ENERGY: 3587200 3930.7846 20569.1125 14378.3054 239.4552 -203421.1811 2690.6659 0.0000 0.0000 51971.4638 -109641.3938 298.6807 -161612.8575 -109264.7209 299.3976 90.7606 122.0020 761965.8961 -1.1709 -1.2713 PRESSURE: 3587400 -90.5418 68.1509 178.843 68.1511 -248.674 -29.9931 178.841 -29.9923 -33.5062 GPRESSURE: 3587400 -45.0269 27.3845 191.768 73.2924 -181.335 -13.2573 -31.8879 26.0856 -64.0528 PRESSAVG: 3587400 4.35818 73.084 45.4484 73.0841 -4.15367 31.7915 45.4484 31.7914 -3.83131 GPRESSAVG: 3587400 3.10201 73.7752 48.5559 71.9906 -4.81617 30.4514 45.202 33.7555 -2.07055 TIMING: 3587400 CPU: 11338, 0.00316939/step Wall: 11338, 0.00316938/step, 1.24363 hours remaining, 239.195312 MB of memory in use. ENERGY: 3587400 3931.0732 20579.1306 14401.9319 222.1780 -203169.5544 2261.9617 0.0000 0.0000 52215.0491 -109558.2298 300.0806 -161773.2790 -109177.7456 299.1270 -124.2408 -96.8048 760952.6604 -1.2089 -1.2616 PRESSURE: 3587600 -208.231 -100.548 20.929 -100.549 -404.803 -134.162 20.9288 -134.161 233.541 GPRESSURE: 3587600 -181.396 52.5221 -6.19477 -105.256 -325.472 -85.1312 -47.661 -236.771 202.191 PRESSAVG: 3587600 17.3746 3.31635 -49.6267 3.31633 -12.4779 53.3394 -49.6267 53.3393 8.53971 GPRESSAVG: 3587600 17.5929 1.9194 -49.3134 6.26247 -12.0221 52.0682 -49.7231 54.2077 7.91386 TIMING: 3587600 CPU: 11338.6, 0.00324996/step Wall: 11338.6, 0.00324996/step, 1.27507 hours remaining, 239.195312 MB of memory in use. ENERGY: 3587600 3979.5591 20743.7670 14342.7467 248.3641 -203563.0836 2422.9154 0.0000 0.0000 52332.9307 -109492.8007 300.7581 -161825.7314 -109130.6738 299.4924 -126.4978 -101.5590 761151.9492 4.4788 4.4949 PRESSURE: 3587800 97.6595 408.329 -130.456 408.328 121.422 69.9164 -130.457 69.9174 -31.2339 GPRESSURE: 3587800 32.4657 420.437 -157.785 365.034 144.835 92.5258 -155.658 -35.3646 84.3258 PRESSAVG: 3587800 55.4656 56.0763 -49.895 56.0763 -5.75819 25.1715 -49.8951 25.1714 -13.1193 GPRESSAVG: 3587800 55.3886 57.0709 -52.2556 53.4849 -5.15957 25.9843 -48.0345 23.9064 -13.6946 TIMING: 3587800 CPU: 11339.3, 0.00320959/step Wall: 11339.3, 0.00320959/step, 1.25905 hours remaining, 239.195312 MB of memory in use. ENERGY: 3587800 4059.3679 20552.4254 14498.5545 236.7730 -203712.1909 2707.0604 0.0000 0.0000 52284.3594 -109373.6503 300.4789 -161658.0097 -108995.8280 300.1010 62.6159 87.2088 760449.2007 12.1961 12.1782 PRESSURE: 3588000 -373.259 -90.6825 72.9389 -90.6829 -62.4795 -172.365 72.9386 -172.365 246.679 GPRESSURE: 3588000 -298.806 -103.078 83.993 -113.343 -0.401682 -235.843 8.92242 -133.003 190.136 PRESSAVG: 3588000 -4.08893 29.6512 -58.9962 29.6512 -19.5406 23.3271 -58.9961 23.3271 31.8711 GPRESSAVG: 3588000 -4.17461 28.4179 -58.4459 30.7317 -19.9679 23.1707 -62.8774 24.9776 31.9521 TIMING: 3588000 CPU: 11339.9, 0.00315931/step Wall: 11339.9, 0.00315931/step, 1.23915 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3588000 3992.5885 20603.0746 14485.1852 229.3383 -203293.7873 2385.5491 0.0000 0.0000 52387.1985 -109210.8531 301.0699 -161598.0517 -108838.5171 300.0018 -63.0200 -36.3573 761248.1602 2.7472 2.6032 PRESSURE: 3588200 -130.097 59.4022 -287.401 59.4026 -93.0974 -235.173 -287.401 -235.172 -122.152 GPRESSURE: 3588200 -106.557 100.721 -235.749 100.192 2.36691 -110.251 -131.377 -381.749 -171.351 PRESSAVG: 3588200 4.81953 -11.9473 -2.90564 -11.9473 30.8606 1.29065 -2.90562 1.2907 11.7948 GPRESSAVG: 3588200 5.85764 -9.86975 -2.78867 -13.5233 29.5828 2.37798 0.661715 0.132128 12.1436 TIMING: 3588200 CPU: 11340.6, 0.0032238/step Wall: 11340.6, 0.0032238/step, 1.26427 hours remaining, 239.195312 MB of memory in use. ENERGY: 3588200 4027.7925 20671.1136 14463.8096 256.7835 -203543.8382 2729.7774 0.0000 0.0000 52033.9964 -109360.5653 299.0401 -161394.5617 -108999.1966 299.8761 -115.1153 -91.8470 760509.0922 15.8250 15.8613 LDB: ============= START OF LOAD BALANCING ============== 11353 LDB: ============== END OF LOAD BALANCING =============== 11353 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11353 LDB: ============= START OF LOAD BALANCING ============== 11353.3 LDB: Largest compute 7033 load 0.034244 is 17.5% of average load 0.195977 LDB: Average compute 0.004379 is 2.2% of average load 0.195977 LDB: TIME 11353.3 LOAD: AVG 0.195977 MAX 0.216299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.035 MB LDB: TIME 11353.3 LOAD: AVG 0.195977 MAX 0.216299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.035 MB LDB: TIME 11353.3 LOAD: AVG 0.195977 MAX 0.216299 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.035 MB LDB: ============== END OF LOAD BALANCING =============== 11353.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11353.3 PRESSURE: 3588400 109.867 89.3309 -72.5684 89.3312 -46.5594 -135.6 -72.569 -135.601 -225.113 GPRESSURE: 3588400 135.695 72.6152 -151.051 102.776 77.4231 -128.242 41.7335 -67.8545 -292.594 PRESSAVG: 3588400 -10.7946 9.62695 -37.3666 9.62693 -24.3089 16.6254 -37.3665 16.6254 0.754969 GPRESSAVG: 3588400 -11.1188 10.3293 -38.0057 9.75242 -23.1359 17.3426 -38.5579 15.7254 -0.159505 TIMING: 3588400 CPU: 11341.2, 0.00324019/step Wall: 11341.2, 0.00324019/step, 1.27051 hours remaining, 239.183594 MB of memory in use. ENERGY: 3588400 3996.3152 20569.5529 14453.2830 258.4006 -203296.5266 2694.3806 0.0000 0.0000 51952.4135 -109372.1808 298.5712 -161324.5943 -109015.2302 299.4187 -53.9351 -26.4922 762743.6909 -11.4495 -11.4714 PRESSURE: 3588600 -112.191 -216.23 226.597 -216.23 -131.102 -63.3534 226.596 -63.3541 -108.019 GPRESSURE: 3588600 -65.4778 -189.241 240.745 -214.15 -127.511 -109.985 190.693 -212.772 -63.105 PRESSAVG: 3588600 -4.6592 -5.77726 -31.3936 -5.77732 16.6878 2.31092 -31.3936 2.31097 -1.23072 GPRESSAVG: 3588600 -4.63085 -7.36732 -30.8215 -5.59111 17.2496 -0.10189 -33.4684 3.55657 -1.60176 TIMING: 3588600 CPU: 11341.8, 0.00316926/step Wall: 11341.8, 0.00316926/step, 1.24253 hours remaining, 239.250000 MB of memory in use. ENERGY: 3588600 3931.1186 20540.8250 14443.8897 254.6584 -202897.0876 2345.5244 0.0000 0.0000 51965.8052 -109415.2663 298.6482 -161381.0715 -109047.0801 298.9347 -117.1039 -85.3647 762549.0721 3.5993 3.6723 PRESSURE: 3588800 202.551 240.259 -251.496 240.259 -121.397 -148.215 -251.497 -148.216 -159.346 GPRESSURE: 3588800 277.623 149.865 -158.416 301.554 -112.138 -190.538 -104.989 -94.1019 -158.709 PRESSAVG: 3588800 -8.197 68.2698 60.8806 68.2697 43.1931 10.3322 60.8806 10.3322 3.77193 GPRESSAVG: 3588800 -8.33121 68.6258 59.424 68.7317 41.2835 13.3023 63.1772 8.34524 5.13841 TIMING: 3588800 CPU: 11342.5, 0.00315512/step Wall: 11342.5, 0.00315512/step, 1.23681 hours remaining, 239.250000 MB of memory in use. ENERGY: 3588800 3937.2006 20626.0550 14468.8477 273.3065 -203568.2687 2528.8197 0.0000 0.0000 52479.6934 -109254.3459 301.6015 -161734.0392 -108887.3960 300.2806 -26.0641 2.2587 761849.8098 12.9227 12.6969 PRESSURE: 3589000 -309.919 -119.708 83.2616 -119.707 23.2046 308.889 83.2611 308.889 -408.944 GPRESSURE: 3589000 -293.051 -59.7058 52.0364 -75.8278 30.2946 276.882 79.9545 337.334 -346.645 PRESSAVG: 3589000 -26.0408 -16.3844 6.16171 -16.3844 -10.5155 22.4931 6.16172 22.493 29.4198 GPRESSAVG: 3589000 -25.7938 -15.0803 6.56007 -17.2066 -9.13975 21.0663 4.31596 25.8474 28.5762 TIMING: 3589000 CPU: 11343.1, 0.0031397/step Wall: 11343.1, 0.0031397/step, 1.23059 hours remaining, 239.250000 MB of memory in use. ENERGY: 3589000 3988.7429 20550.7355 14419.7794 246.0792 -203050.3993 2306.5648 0.0000 0.0000 51912.5505 -109625.9471 298.3421 -161538.4976 -109249.8683 299.6066 -231.8860 -203.1337 761278.2177 -2.3788 -2.1191 PRESSURE: 3589200 -321.319 53.6508 -101.961 53.6521 -194.642 80.1022 -101.96 80.1024 -50.1442 GPRESSURE: 3589200 -307.066 -87.2718 -91.8992 125.789 -57.8624 96.7205 131.318 212.945 -116.236 PRESSAVG: 3589200 -33.674 5.74759 20.5238 5.74761 27.6896 2.19579 20.5238 2.19577 6.53777 GPRESSAVG: 3589200 -33.9842 5.40325 19.5835 3.99012 28.5112 1.67012 22.3916 1.88794 5.93064 TIMING: 3589200 CPU: 11343.7, 0.00316673/step Wall: 11343.7, 0.00316673/step, 1.241 hours remaining, 239.250000 MB of memory in use. ENERGY: 3589200 3965.6549 20466.1038 14487.7781 237.1742 -203334.2528 2557.2790 0.0000 0.0000 51894.6367 -109725.6261 298.2392 -161620.2628 -109373.7517 299.0415 -188.7017 -160.3881 761324.4007 0.1845 0.1526 PRESSURE: 3589400 -403.623 -117.986 134.664 -117.987 -297.829 66.3716 134.663 66.3714 -474.509 GPRESSURE: 3589400 -412.087 -150.278 218.051 -123.811 -234.783 -24.1818 150.602 -7.12382 -462.76 PRESSAVG: 3589400 1.08947 -13.9455 7.12154 -13.9456 3.58435 5.68047 7.12156 5.68047 7.42194 GPRESSAVG: 3589400 0.487964 -14.8832 7.24156 -11.5116 2.67809 5.64148 7.05451 5.35574 9.21105 TIMING: 3589400 CPU: 11344.4, 0.0031696/step Wall: 11344.4, 0.0031696/step, 1.24195 hours remaining, 239.250000 MB of memory in use. ENERGY: 3589400 3928.1987 20529.5310 14467.0390 231.2029 -203124.9651 2169.9407 0.0000 0.0000 52139.4758 -109659.5769 299.6463 -161799.0527 -109287.1421 298.7780 -391.9872 -369.8765 762071.5069 4.0319 4.1257 PRESSURE: 3589600 43.7152 83.6206 -242.737 83.6209 46.3881 -10.1345 -242.737 -10.1346 -3.3861 GPRESSURE: 3589600 65.854 137.279 -159.477 101.242 52.9815 -73.4658 -231.51 25.57 26.545 PRESSAVG: 3589600 35.2089 -45.4221 -28.5825 -45.4221 -51.7552 12.4084 -28.5825 12.4083 10.9495 GPRESSAVG: 3589600 35.1155 -44.4163 -29.0195 -47.2114 -51.7602 13.1199 -28.2288 11.5436 11.1813 TIMING: 3589600 CPU: 11345, 0.00316539/step Wall: 11345, 0.00316539/step, 1.24013 hours remaining, 239.250000 MB of memory in use. ENERGY: 3589600 3994.6460 20586.3356 14487.3782 235.3901 -203913.0564 2838.2401 0.0000 0.0000 52107.2499 -109663.8165 299.4611 -161771.0664 -109301.0930 299.2088 28.9057 48.4602 760355.6959 -1.8656 -1.8212 PRESSURE: 3589800 -9.07755 -186.831 -113.787 -186.831 113.383 159.375 -113.787 159.373 167.556 GPRESSURE: 3589800 139.461 -130.093 -113.131 -226.705 42.8611 170.753 -66.3043 71.5617 178.322 PRESSAVG: 3589800 19.3084 -14.0086 3.03819 -14.0086 1.17414 32.5422 3.03819 32.5422 -13.2593 GPRESSAVG: 3589800 20.6683 -14.5216 3.95394 -12.7042 0.812979 32.3681 3.65462 33.3705 -14.748 TIMING: 3589800 CPU: 11345.6, 0.00316954/step Wall: 11345.6, 0.00316954/step, 1.24158 hours remaining, 239.250000 MB of memory in use. ENERGY: 3589800 3969.0578 20551.1402 14457.7407 262.4264 -203309.5472 2655.2932 0.0000 0.0000 52000.1722 -109413.7166 298.8457 -161413.8888 -109048.6697 299.0810 90.6204 120.2149 761589.4756 2.4077 2.2444 PRESSURE: 3590000 -229.807 25.1343 -94.0382 25.1341 -22.1216 267.878 -94.0383 267.878 -251.672 GPRESSURE: 3590000 -184.029 12.1118 -139.916 -94.5986 -6.11669 147.318 65.2785 140.934 -215.856 PRESSAVG: 3590000 2.4165 -22.4198 -26.4023 -22.4199 -6.89429 23.5556 -26.4023 23.5556 14.8165 GPRESSAVG: 3590000 2.88712 -23.047 -26.3807 -24.3516 -7.99875 22.5847 -27.1681 22.7353 15.5011 TIMING: 3590000 CPU: 11346.3, 0.00319619/step Wall: 11346.3, 0.00319619/step, 1.25184 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3590000 3947.4150 20521.7173 14532.0004 255.1106 -202934.3716 2275.5888 0.0000 0.0000 52065.0199 -109337.5196 299.2184 -161402.5394 -108965.5304 299.6827 -167.8668 -135.3337 760354.2515 3.4462 3.4632 PRESSURE: 3590200 -61.9785 -101.215 129.575 -101.215 153.365 -117.341 129.575 -117.341 355.723 GPRESSURE: 3590200 117.867 -246.479 137.408 -86.9548 141.56 -55.2681 58.9413 25.3115 280.329 PRESSAVG: 3590200 -10.784 -42.8866 33.6543 -42.8866 32.6203 1.55334 33.6542 1.55331 22.208 GPRESSAVG: 3590200 -10.3536 -43.1961 33.8135 -40.6021 33.5391 1.92587 32.4006 3.55558 21.6168 TIMING: 3590200 CPU: 11346.9, 0.00319226/step Wall: 11346.9, 0.00319226/step, 1.25013 hours remaining, 239.250000 MB of memory in use. ENERGY: 3590200 4023.6644 20701.1543 14436.7284 238.2290 -203099.2633 2469.2094 0.0000 0.0000 51773.1351 -109457.1428 297.5409 -161230.2779 -109110.8528 299.3683 149.0366 179.9186 762265.1823 14.6814 14.9341 PRESSURE: 3590400 -338.531 79.6975 191.105 79.6981 -58.5762 -224.323 191.104 -224.322 253.345 GPRESSURE: 3590400 -374.651 62.5227 171.928 4.98035 -23.8977 -260.798 245.75 -116.322 331.781 PRESSAVG: 3590400 -44.6112 -15.8555 -17.5107 -15.8555 52.5655 -57.1047 -17.5107 -57.1048 -11.4094 GPRESSAVG: 3590400 -45.3022 -16.2025 -17.1517 -15.7323 53.0629 -56.2365 -14.9401 -58.3078 -10.8849 TIMING: 3590400 CPU: 11347.5, 0.00318876/step Wall: 11347.5, 0.00318876/step, 1.24858 hours remaining, 239.250000 MB of memory in use. ENERGY: 3590400 4006.1191 20572.1744 14487.4797 236.6232 -203377.8582 2543.6144 0.0000 0.0000 52161.7771 -109370.0703 299.7745 -161531.8474 -109001.6267 299.0755 -47.9207 -22.2560 761951.6984 -1.1517 -1.0414 PRESSURE: 3590600 275.164 -176.925 -37.5493 -176.924 149.204 -184.447 -37.5493 -184.446 -65.7773 GPRESSURE: 3590600 214.653 -201.883 -43.59 -138.933 195.208 -192.268 -16.0731 -126.9 19.9438 PRESSAVG: 3590600 -12.1375 -13.2344 27.3421 -13.2344 18.7152 -24.3028 27.3421 -24.3028 -9.83674 GPRESSAVG: 3590600 -12.952 -11.9328 26.5947 -12.5724 19.0037 -23.2991 25.7761 -24.1508 -9.62358 TIMING: 3590600 CPU: 11348.2, 0.00318355/step Wall: 11348.2, 0.00318355/step, 1.24636 hours remaining, 239.250000 MB of memory in use. ENERGY: 3590600 3885.4243 20645.5859 14455.5012 248.5250 -203407.1709 2677.7920 0.0000 0.0000 52052.8382 -109441.5044 299.1484 -161494.3426 -109085.2825 299.4218 119.5301 143.2685 760192.8368 -1.0863 -1.1906 PRESSURE: 3590800 -19.4196 -109.246 204.642 -109.246 106.49 -49.0392 204.642 -49.0397 -122.981 GPRESSURE: 3590800 79.2712 2.44307 237.072 -253.392 9.04612 -34.8073 340.723 -167.783 -47.4298 PRESSAVG: 3590800 1.16321 -6.65392 -11.1156 -6.65398 3.06224 5.96739 -11.1156 5.96743 -2.40928 GPRESSAVG: 3590800 1.8608 -4.25085 -11.0223 -8.99418 1.52094 4.64624 -11.3732 4.70645 -1.06278 TIMING: 3590800 CPU: 11348.8, 0.00319039/step Wall: 11348.8, 0.00319039/step, 1.24886 hours remaining, 239.250000 MB of memory in use. ENERGY: 3590800 3965.5249 20306.2739 14390.7951 246.6539 -203334.5490 2435.9189 0.0000 0.0000 52450.1054 -109539.2768 301.4315 -161989.3822 -109172.4825 299.3916 -11.9702 13.6292 760875.5124 0.6054 0.7730 PRESSURE: 3591000 -515.462 35.0271 -317.494 35.026 -289.081 198.026 -317.493 198.026 -266.093 GPRESSURE: 3591000 -441.868 110.586 -303.833 63.9875 -283.989 301.423 -267.603 126.697 -256.888 PRESSAVG: 3591000 -34.62 -24.9145 1.42608 -24.9145 -9.99032 62.6756 1.42607 62.6755 -21.065 GPRESSAVG: 3591000 -33.7212 -28.1409 1.58298 -23.723 -10.257 64.025 1.25944 62.2861 -21.5439 TIMING: 3591000 CPU: 11349.5, 0.00318236/step Wall: 11349.5, 0.00318236/step, 1.24554 hours remaining, 239.250000 MB of memory in use. ENERGY: 3591000 4054.5286 20518.9312 14461.0815 237.4788 -202986.9457 2185.1909 0.0000 0.0000 52040.7492 -109488.9856 299.0789 -161529.7347 -109125.9090 299.4131 -356.8788 -327.5819 761696.4601 -21.8918 -21.8407 PRESSURE: 3591200 187.477 49.2277 18.7029 49.2296 64.9233 -67.108 18.7032 -67.1068 196.497 GPRESSURE: 3591200 212.994 52.7125 92.3424 56.7344 98.0066 -102.399 6.2401 -59.3638 229.562 PRESSAVG: 3591200 -11.9895 9.08572 -4.79905 9.08575 8.38498 2.69751 -4.79903 2.69746 33.3815 GPRESSAVG: 3591200 -11.7415 8.12882 -5.00344 7.729 8.91662 2.00419 -4.45155 5.3936 33.2032 TIMING: 3591200 CPU: 11350.1, 0.00319873/step Wall: 11350.1, 0.00319873/step, 1.25177 hours remaining, 239.250000 MB of memory in use. ENERGY: 3591200 3951.8286 20444.8384 14456.3306 264.6753 -203735.4210 2846.4614 0.0000 0.0000 52118.1330 -109653.1538 299.5236 -161771.2868 -109279.3809 299.2917 149.6321 180.1874 760219.7961 9.9257 10.1261 PRESSURE: 3591400 -171.1 -11.1394 -109.917 -11.1405 58.0345 -181.242 -109.919 -181.243 -80.5423 GPRESSURE: 3591400 -131.202 -81.2484 -150.521 -22.7438 78.7834 -172.621 -140.016 -215.145 -64.0259 PRESSAVG: 3591400 -61.9828 28.0814 -46.5798 28.0814 57.3691 -16.2013 -46.5799 -16.2012 -22.6149 GPRESSAVG: 3591400 -62.4006 29.2014 -47.5881 27.7252 58.4908 -16.6828 -48.65 -17.0826 -23.6897 TIMING: 3591400 CPU: 11350.7, 0.00317232/step Wall: 11350.7, 0.00317232/step, 1.24126 hours remaining, 239.250000 MB of memory in use. ENERGY: 3591400 4066.4821 20594.0788 14412.3844 238.4798 -203495.0881 2543.4265 0.0000 0.0000 52138.3554 -109501.8813 299.6398 -161640.2367 -109136.0850 299.5698 -64.5358 -38.8148 760259.1694 -9.0762 -9.1998 PRESSURE: 3591600 50.573 -180.263 -220.889 -180.264 -128.379 124.181 -220.889 124.18 -18.6172 GPRESSURE: 3591600 8.50957 -156.966 -236.506 -231.22 -43.9296 108.491 -173.806 -8.7513 18.0933 PRESSAVG: 3591600 -76.1189 -36.9475 -12.8575 -36.9475 35.4521 -11.1871 -12.8575 -11.187 -15.3938 GPRESSAVG: 3591600 -76.596 -35.2156 -11.2671 -37.3564 35.0028 -10.4393 -11.8068 -12.591 -14.8715 TIMING: 3591600 CPU: 11351.4, 0.00319815/step Wall: 11351.4, 0.00319815/step, 1.25119 hours remaining, 239.250000 MB of memory in use. ENERGY: 3591600 4071.0035 20572.2976 14415.6285 242.9782 -203713.9689 2704.2281 0.0000 0.0000 52319.1343 -109388.6987 300.6788 -161707.8331 -109027.0476 298.9681 -32.1411 -5.7756 759470.5962 -18.6869 -18.8216 PRESSURE: 3591800 -177.313 12.6632 72.9068 12.6625 -54.2817 -95.1134 72.9069 -95.1142 266.209 GPRESSURE: 3591800 -69.8701 58.3651 144.194 85.5672 -30.8449 -105.664 -14.1874 -60.55 235.183 PRESSAVG: 3591800 -14.1619 32.2589 -51.7695 32.259 20.0793 6.61834 -51.7696 6.61831 -19.7294 GPRESSAVG: 3591800 -13.8038 31.2524 -51.2664 34.2334 19.7377 7.41107 -51.2682 6.80511 -19.2339 TIMING: 3591800 CPU: 11352, 0.00316831/step Wall: 11352, 0.00316831/step, 1.23934 hours remaining, 239.250000 MB of memory in use. ENERGY: 3591800 4005.1929 20475.6099 14497.1494 260.8248 -203311.7112 2373.6119 0.0000 0.0000 52187.7306 -109511.5917 299.9236 -161699.3223 -109149.7517 299.5500 11.5381 44.8226 758709.6621 -4.6040 -4.4334 PRESSURE: 3592000 205.548 -219.962 4.44287 -219.961 207.639 181.948 4.44323 181.948 300.891 GPRESSURE: 3592000 225.304 -120.682 105.327 -51.7722 257.659 125.228 -24.5901 218.032 321.629 PRESSAVG: 3592000 6.00519 -10.6981 22.5471 -10.6981 -48.1324 -46.3541 22.5471 -46.3541 6.96006 GPRESSAVG: 3592000 5.87235 -11.8076 22.3751 -11.4861 -47.4876 -47.6042 20.8049 -43.5901 5.85209 TIMING: 3592000 CPU: 11352.6, 0.00316074/step Wall: 11352.6, 0.00316074/step, 1.2362 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3592000 3990.4682 20610.3484 14452.0459 250.0736 -203147.4938 2586.1128 0.0000 0.0000 51817.6715 -109440.7733 297.7969 -161258.4448 -109098.9941 299.6762 238.0258 268.1972 759825.6714 -11.7224 -11.9211 PRESSURE: 3592200 225.371 -18.8208 80.8852 -18.8203 309.053 -187.407 80.8855 -187.407 -154.021 GPRESSURE: 3592200 252.166 26.2416 188.668 -57.139 310.561 -246.621 70.4827 -228.007 -90.6337 PRESSAVG: 3592200 7.87358 18.6405 -16.8098 18.6405 1.38881 -30.611 -16.8099 -30.611 -12.8065 GPRESSAVG: 3592200 7.66305 19.5773 -16.9674 20.8159 0.327742 -31.2697 -16.2302 -33.2275 -11.8496 TIMING: 3592200 CPU: 11353.3, 0.00316267/step Wall: 11353.3, 0.00316267/step, 1.23678 hours remaining, 239.250000 MB of memory in use. ENERGY: 3592200 3999.0591 20396.2621 14451.1191 263.5819 -203313.3175 2495.6033 0.0000 0.0000 52415.7298 -109291.9623 301.2339 -161707.6920 -108918.8021 299.7032 126.8009 157.3646 759875.9204 -1.1814 -1.2863 LDB: ============= START OF LOAD BALANCING ============== 11365.7 LDB: ============== END OF LOAD BALANCING =============== 11365.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11365.7 LDB: ============= START OF LOAD BALANCING ============== 11366 LDB: Largest compute 7034 load 0.033932 is 17.3% of average load 0.196021 LDB: Average compute 0.004379 is 2.2% of average load 0.196021 LDB: TIME 11366 LOAD: AVG 0.196021 MAX 0.218821 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 11366 LOAD: AVG 0.196021 MAX 0.218821 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 11366 LOAD: AVG 0.196021 MAX 0.214097 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 11366 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11366 PRESSURE: 3592400 -32.2812 -1.08759 -54.3694 -1.08816 274.739 74.1447 -54.3699 74.1444 -3.35292 GPRESSURE: 3592400 -35.2488 -121.751 -51.7564 -8.42754 253.815 70.8366 55.5646 98.728 97.7905 PRESSAVG: 3592400 -80.2994 12.5491 16.5364 12.5491 26.0585 -47.2362 16.5365 -47.2361 41.1606 GPRESSAVG: 3592400 -80.7713 12.4929 16.0913 11.8277 27.224 -46.047 18.2243 -49.7306 40.9479 TIMING: 3592400 CPU: 11353.9, 0.00327642/step Wall: 11353.9, 0.00327642/step, 1.28108 hours remaining, 237.128906 MB of memory in use. ENERGY: 3592400 3984.3745 20496.2455 14413.1665 242.5105 -203069.5200 2474.4624 0.0000 0.0000 52203.5037 -109255.2569 300.0143 -161458.7606 -108898.7072 299.3876 79.7016 105.4522 761370.2391 -4.3601 -4.1998 PRESSURE: 3592600 -137.068 -18.8688 109.498 -18.8685 -282.274 1.92061 109.498 1.92048 -222.734 GPRESSURE: 3592600 -21.8351 -48.0578 117.837 -66.7215 -319.64 -13.5273 52.0012 121.739 -221.888 PRESSAVG: 3592600 -25.6222 34.2873 13.6517 34.2873 60.0306 12.3802 13.6517 12.3802 16.8074 GPRESSAVG: 3592600 -24.815 33.3229 15.2798 35.2732 59.4601 11.219 11.5556 14.6265 16.7672 TIMING: 3592600 CPU: 11354.6, 0.00318362/step Wall: 11354.6, 0.00318362/step, 1.24462 hours remaining, 237.128906 MB of memory in use. ENERGY: 3592600 3987.6731 20568.6947 14413.0097 245.2836 -202998.5727 2351.6400 0.0000 0.0000 52176.2079 -109256.0636 299.8574 -161432.2715 -108895.2888 299.3829 -214.0254 -187.7877 761401.5374 17.0719 17.1374 PRESSURE: 3592800 -378.916 -134.058 4.96886 -134.058 62.4006 -245.931 4.96876 -245.93 -42.7255 GPRESSURE: 3592800 -313.35 -87.4935 26.24 -227.688 60.0642 -251.62 -21.2178 -157.203 -26.4216 PRESSAVG: 3592800 -44.1485 -11.1411 -25.7161 -11.1412 32.7509 -4.40475 -25.7161 -4.40477 -10.2987 GPRESSAVG: 3592800 -44.3512 -9.3808 -27.5158 -13.237 32.7175 -2.97331 -25.7781 -4.26907 -10.5787 TIMING: 3592800 CPU: 11355.2, 0.00316022/step Wall: 11355.2, 0.00316022/step, 1.23529 hours remaining, 237.128906 MB of memory in use. ENERGY: 3592800 3990.7819 20666.7721 14456.3687 242.7133 -203144.3434 2362.6605 0.0000 0.0000 52252.7337 -109172.3131 300.2972 -161425.0469 -108810.7658 299.5602 -119.7468 -93.2358 760411.1202 -7.2321 -7.4041 PRESSURE: 3593000 5.28652 -136.663 105.39 -136.664 266.942 74.242 105.39 74.2425 176.067 GPRESSURE: 3593000 102.956 -195.076 99.2059 -121.529 221.954 58.3308 24.4142 105.143 219.366 PRESSAVG: 3593000 -51.0787 -8.83002 11.6655 -8.82992 59.0683 18.3419 11.6655 18.3419 25.0344 GPRESSAVG: 3593000 -51.02 -11.5956 10.7552 -6.57149 59.0435 19.9454 11.9401 17.6628 25.0613 TIMING: 3593000 CPU: 11355.8, 0.00319537/step Wall: 11355.8, 0.00319537/step, 1.24886 hours remaining, 237.128906 MB of memory in use. ENERGY: 3593000 4080.3343 20632.8257 14485.0653 254.2638 -203218.4875 2473.9665 0.0000 0.0000 52087.9128 -109204.1192 299.3500 -161292.0320 -108843.8173 300.0005 149.4320 181.4255 760533.2369 11.0080 11.0283 PRESSURE: 3593200 34.7492 -136.313 -111.241 -136.313 -225.313 -46.5586 -111.24 -46.5578 -192.979 GPRESSURE: 3593200 71.4816 -110.955 -54.0264 -132.676 -181.067 -14.0345 -136.867 -92.3638 -190.171 PRESSAVG: 3593200 -9.38349 18.4056 -11.4809 18.4056 3.26558 -45.0635 -11.4808 -45.0634 1.96213 GPRESSAVG: 3593200 -8.20467 20.4826 -11.7467 15.2761 3.05543 -47.4143 -11.3492 -41.9668 1.51677 TIMING: 3593200 CPU: 11356.5, 0.00318566/step Wall: 11356.5, 0.00318566/step, 1.24488 hours remaining, 237.128906 MB of memory in use. ENERGY: 3593200 4002.9964 20624.7585 14493.9833 236.4734 -203220.4602 2405.7076 0.0000 0.0000 52043.5467 -109412.9943 299.0950 -161456.5409 -109056.7765 299.6678 -127.8474 -99.9188 760350.7269 -1.3853 -1.2108 PRESSURE: 3593400 58.0981 211.557 131.58 211.557 318.114 45.393 131.58 45.3932 -312.514 GPRESSURE: 3593400 89.7258 222.549 68.8181 285.283 321.578 55.8046 81.5967 162.511 -247.481 PRESSAVG: 3593400 73.9006 -29.2647 64.9689 -29.2646 -43.4206 -17.6977 64.9689 -17.6977 3.59247 GPRESSAVG: 3593400 72.4838 -30.1078 65.549 -28.3503 -42.4754 -17.0289 66.3081 -20.8271 4.12134 TIMING: 3593400 CPU: 11357.1, 0.00318076/step Wall: 11357.1, 0.00318076/step, 1.24279 hours remaining, 237.128906 MB of memory in use. ENERGY: 3593400 4019.5756 20625.3107 14377.8846 237.7452 -203316.7971 2376.0855 0.0000 0.0000 52273.1452 -109407.0503 300.4145 -161680.1955 -109041.2005 299.7629 21.2328 54.6077 760837.9598 11.3575 11.3766 PRESSURE: 3593600 -37.1413 -84.0304 -71.945 -84.0305 28.189 -4.578 -71.9451 -4.57868 -572.797 GPRESSURE: 3593600 -4.02222 -154.085 -75.8931 -151.264 84.7439 126.391 -48.9192 -66.1019 -582.657 PRESSAVG: 3593600 -15.1559 -31.9839 33.6465 -31.9839 58.9163 -33.7502 33.6466 -33.7501 -5.63717 GPRESSAVG: 3593600 -15.2517 -30.5715 34.6797 -33.446 58.398 -33.6599 31.2377 -33.536 -5.23532 TIMING: 3593600 CPU: 11357.7, 0.00319866/step Wall: 11357.7, 0.00319866/step, 1.24961 hours remaining, 237.128906 MB of memory in use. ENERGY: 3593600 4091.1368 20665.7112 14486.4703 233.3695 -202999.0373 2290.7077 0.0000 0.0000 51788.8550 -109442.7868 297.6313 -161231.6418 -109081.7045 299.4703 -193.9166 -167.3118 761477.9178 12.7078 12.6370 PRESSURE: 3593800 -168.492 81.9747 -19.8235 81.9746 -206.385 -149.201 -19.8235 -149.203 -62.689 GPRESSURE: 3593800 -177.102 169.033 -4.28079 97.9925 -119.512 -125.272 -196.712 -73.6522 -62.0624 PRESSAVG: 3593800 -77.5975 -27.066 -50.5796 -27.0661 97.3828 -6.07269 -50.5796 -6.07279 -15.779 GPRESSAVG: 3593800 -76.5162 -28.3941 -50.1664 -27.4993 97.001 -7.12494 -50.1844 -5.55341 -16.3345 TIMING: 3593800 CPU: 11358.4, 0.0031947/step Wall: 11358.4, 0.0031947/step, 1.24789 hours remaining, 237.128906 MB of memory in use. ENERGY: 3593800 3992.9067 20585.3288 14488.4378 230.0215 -203230.5015 2367.8647 0.0000 0.0000 52093.2587 -109472.6832 299.3807 -161565.9419 -109111.1522 299.4348 -145.8553 -119.5588 760615.3320 1.3355 1.3834 PRESSURE: 3594000 -218.139 -178.735 -6.03825 -178.735 -298.455 -283.678 -6.03837 -283.678 -116.488 GPRESSURE: 3594000 -133.344 -192.03 6.86371 -26.7706 -258.944 -295.506 17.5694 -238.43 -188.074 PRESSAVG: 3594000 -1.09736 4.20338 -35.4593 4.20338 -21.6887 -78.0211 -35.4592 -78.0211 -2.57864 GPRESSAVG: 3594000 -0.789572 5.43126 -34.7795 7.35509 -21.7245 -77.6343 -36.8725 -78.6092 -3.18709 TIMING: 3594000 CPU: 11359, 0.00318536/step Wall: 11359, 0.00318536/step, 1.24406 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3594000 4093.5420 20642.0788 14401.0283 237.7736 -203251.2897 2407.1150 0.0000 0.0000 51981.3431 -109488.4089 298.7375 -161469.7520 -109129.0946 298.9585 -211.0272 -193.4540 761866.3139 -8.4549 -8.5670 PRESSURE: 3594200 -192.587 -159.056 -2.03352 -159.057 78.1411 106.354 -2.03351 106.353 152.259 GPRESSURE: 3594200 -107.121 -178.006 -51.1967 -281.489 138.316 128.931 197.804 -27.0118 89.218 PRESSAVG: 3594200 -14.752 -7.11997 -25.0159 -7.11999 11.2039 -37.7947 -25.0159 -37.7947 15.2974 GPRESSAVG: 3594200 -14.9045 -7.03571 -26.3925 -8.63814 10.367 -38.0708 -24.149 -37.2796 16.2529 TIMING: 3594200 CPU: 11359.7, 0.00317873/step Wall: 11359.7, 0.00317873/step, 1.24129 hours remaining, 237.128906 MB of memory in use. ENERGY: 3594200 4017.1764 20380.2253 14435.8404 232.9056 -203346.6955 2651.1037 0.0000 0.0000 52081.6886 -109547.7555 299.3142 -161629.4441 -109184.7027 298.6118 12.6041 40.1379 762069.3812 3.9164 3.9051 PRESSURE: 3594400 -118.444 93.4281 -91.8729 93.4289 259.949 -330.194 -91.8738 -330.195 -130.009 GPRESSURE: 3594400 -44.8685 68.7431 -112.894 137.69 276.582 -273.465 7.88266 -239.753 -129.063 PRESSAVG: 3594400 -33.0587 -8.58085 -12.3686 -8.58089 51.9561 34.4028 -12.3686 34.4028 -14.9354 GPRESSAVG: 3594400 -33.3011 -9.50591 -14.2598 -8.19706 52.942 33.8006 -9.88107 35.0245 -15.4177 TIMING: 3594400 CPU: 11360.3, 0.00319477/step Wall: 11360.3, 0.00319477/step, 1.24738 hours remaining, 237.128906 MB of memory in use. ENERGY: 3594400 4086.2411 20434.5537 14429.4367 232.8638 -203309.9885 2565.8022 0.0000 0.0000 51810.1635 -109750.9276 297.7537 -161561.0911 -109383.5759 298.8303 3.8317 34.2167 761485.3783 1.3207 1.4077 PRESSURE: 3594600 -346.903 -60.1425 -38.6522 -60.1417 98.336 -118.793 -38.6507 -118.794 -215.003 GPRESSURE: 3594600 -265.334 -36.5537 -33.836 -125.56 75.8672 -95.9008 -27.9909 -11.6752 -206.759 PRESSAVG: 3594600 -69.1502 -9.0363 -9.71937 -9.03622 40.3307 -44.9187 -9.7194 -44.9187 4.60957 GPRESSAVG: 3594600 -69.1231 -10.7097 -8.93597 -10.3918 39.8601 -43.605 -11.1022 -45.8576 4.81278 TIMING: 3594600 CPU: 11360.9, 0.00320827/step Wall: 11360.9, 0.00320827/step, 1.25247 hours remaining, 237.128906 MB of memory in use. ENERGY: 3594600 4024.9449 20448.0954 14435.6257 238.5752 -203246.1237 2550.7473 0.0000 0.0000 51938.9921 -109609.1431 298.4941 -161548.1352 -109249.9186 299.0161 -154.5234 -132.0753 762435.4856 -8.0700 -8.1501 PRESSURE: 3594800 -245.442 188.951 92.7242 188.951 291.791 -37.582 92.7246 -37.5807 480.463 GPRESSURE: 3594800 -81.189 146.449 121.144 167.66 259.503 -25.5553 77.0946 -62.4943 452.459 PRESSAVG: 3594800 -38.2648 2.69849 -73.8464 2.69847 28.5195 -61.4614 -73.8464 -61.4615 6.3568 GPRESSAVG: 3594800 -37.6393 5.39937 -71.8825 3.00396 29.2174 -62.4639 -74.9212 -59.8804 5.45919 TIMING: 3594800 CPU: 11361.6, 0.00322719/step Wall: 11361.6, 0.00322719/step, 1.25968 hours remaining, 237.128906 MB of memory in use. ENERGY: 3594800 3936.6146 20425.9443 14534.7447 233.5936 -203576.9672 2664.9545 0.0000 0.0000 52146.4733 -109634.6422 299.6865 -161781.1155 -109277.5287 298.7961 175.6039 210.2577 760308.4281 -1.1295 -0.9875 PRESSURE: 3595000 -39.9655 -66.8066 -54.95 -66.8067 -99.4637 30.6942 -54.9503 30.694 51.4348 GPRESSURE: 3595000 25.155 -94.568 -32.2939 9.41068 -43.3859 12.978 -67.5621 87.7779 8.76935 PRESSAVG: 3595000 5.57772 51.4423 -17.6807 51.4423 13.9085 26.5928 -17.6807 26.5928 -26.9474 GPRESSAVG: 3595000 4.79594 52.4966 -18.8688 50.9876 13.9112 26.5942 -17.4317 24.8636 -26.0934 TIMING: 3595000 CPU: 11362.2, 0.00319344/step Wall: 11362.2, 0.00319344/step, 1.24633 hours remaining, 237.128906 MB of memory in use. ENERGY: 3595000 3964.0500 20373.8474 14473.6665 233.9640 -203426.0973 2645.3171 0.0000 0.0000 51925.5403 -109809.7119 298.4168 -161735.2523 -109446.0738 298.7283 -29.3315 -3.1539 761184.8918 -2.4871 -2.4621 PRESSURE: 3595200 139.2 266.656 78.2104 266.657 86.3145 146.599 78.2108 146.599 -51.5078 GPRESSURE: 3595200 116.657 244.404 -54.8109 261.199 168.474 146.781 101.579 28.9917 -7.63134 PRESSAVG: 3595200 -72.6554 34.105 -11.4093 34.105 35.0412 32.476 -11.4093 32.4759 -17.4088 GPRESSAVG: 3595200 -73.6888 31.7059 -12.0904 35.2604 35.9897 32.8018 -9.01864 31.6123 -17.1342 TIMING: 3595200 CPU: 11362.9, 0.00317515/step Wall: 11362.9, 0.00317515/step, 1.23901 hours remaining, 237.128906 MB of memory in use. ENERGY: 3595200 3949.5564 20447.5394 14406.9157 235.0142 -203605.0168 2768.2852 0.0000 0.0000 52127.2813 -109670.4245 299.5762 -161797.7058 -109298.9707 298.7470 58.0021 92.5000 760424.4651 -18.3410 -18.2777 PRESSURE: 3595400 -169.502 221.868 -21.0697 221.869 -238.046 -106.128 -21.069 -106.129 -134.055 GPRESSURE: 3595400 -198.376 243.144 -41.4823 102.831 -162.003 -148.566 5.85106 -139.084 -93.9367 PRESSAVG: 3595400 23.0783 25.5622 -33.1736 25.5622 24.8277 -8.65182 -33.1736 -8.65176 -7.03258 GPRESSAVG: 3595400 22.9513 26.3965 -32.424 23.8205 25.0879 -8.23972 -32.9513 -9.7033 -7.06191 TIMING: 3595400 CPU: 11363.5, 0.00316655/step Wall: 11363.5, 0.00316655/step, 1.23548 hours remaining, 237.128906 MB of memory in use. ENERGY: 3595400 3999.0019 20559.8198 14459.0087 254.1127 -203198.3255 2440.8244 0.0000 0.0000 51936.6560 -109548.9020 298.4807 -161485.5579 -109187.5521 299.2707 -180.5343 -151.4387 760924.2732 13.6245 13.6591 PRESSURE: 3595600 -58.551 42.9799 -119.656 42.9795 177.481 -36.9799 -119.655 -36.9802 20.1948 GPRESSURE: 3595600 -56.9156 -97.0272 -85.211 61.5759 261.685 -91.1638 39.4962 12.4094 16.4328 PRESSAVG: 3595600 -18.5008 46.5199 27.8626 46.5199 15.3255 17.8697 27.8627 17.8697 11.379 GPRESSAVG: 3595600 -17.9552 45.6882 27.4463 47.4001 13.8625 17.9431 24.2905 18.2764 12.4151 TIMING: 3595600 CPU: 11364.1, 0.00316267/step Wall: 11364.1, 0.00316268/step, 1.23379 hours remaining, 237.128906 MB of memory in use. ENERGY: 3595600 3973.7245 20532.2908 14542.5817 235.4854 -203597.3753 2714.2435 0.0000 0.0000 51822.9549 -109776.0945 297.8272 -161599.0494 -109412.8820 299.1428 46.3749 73.7342 759339.7231 2.7345 2.7741 PRESSURE: 3595800 216.838 -7.46129 -122.503 -7.4618 -280.681 -59.8442 -122.504 -59.8446 -392.309 GPRESSURE: 3595800 309.302 83.2468 10.5049 -77.1655 -233.293 -50.1353 -73.5278 114.898 -441.217 PRESSAVG: 3595800 32.3818 -18.2688 24.2427 -18.2688 -11.5893 -83.5238 24.2427 -83.5238 6.19763 GPRESSAVG: 3595800 32.4418 -16.5443 24.2557 -17.2979 -11.2704 -82.7948 25.768 -83.8541 5.47682 TIMING: 3595800 CPU: 11364.8, 0.00317337/step Wall: 11364.8, 0.00317337/step, 1.23779 hours remaining, 237.128906 MB of memory in use. ENERGY: 3595800 4044.9569 20599.1075 14447.3631 235.6777 -203274.0723 2259.7954 0.0000 0.0000 51992.7072 -109694.4645 298.8028 -161687.1716 -109336.6673 298.6081 -152.0506 -121.7362 760616.1144 8.9967 8.8827 PRESSURE: 3596000 -77.0811 15.6914 -51.8927 15.6918 -173.832 -65.9509 -51.8927 -65.9504 128.52 GPRESSURE: 3596000 11.2144 -24.6208 -62.3653 13.7928 -172.458 -68.5304 -0.0727898 -43.787 130.742 PRESSAVG: 3596000 50.6864 -1.33068 -20.1319 -1.33071 -61.7653 -16.7853 -20.1319 -16.7854 -2.0764 GPRESSAVG: 3596000 49.9339 -3.16801 -18.9246 -2.80569 -61.3455 -18.853 -21.5023 -15.8621 -2.33142 TIMING: 3596000 CPU: 11365.4, 0.00320605/step Wall: 11365.4, 0.00320604/step, 1.25036 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3596000 3943.6613 20492.2567 14457.3153 249.7118 -203357.1780 2509.4644 0.0000 0.0000 52201.0144 -109503.7542 299.9999 -161704.7686 -109132.7152 299.1727 -40.7979 -10.1673 760609.8281 -4.3851 -4.5810 PRESSURE: 3596200 107.953 -50.931 -361.731 -50.9312 204.13 8.76181 -361.731 8.762 56.5338 GPRESSURE: 3596200 155.975 -41.9018 -282.516 -25.3821 194.574 25.4857 -301.41 -24.9919 92.3388 PRESSAVG: 3596200 44.7608 25.4114 -32.9536 25.4114 -76.1303 -30.1092 -32.9537 -30.1091 21.7839 GPRESSAVG: 3596200 44.8381 27.4494 -33.0188 24.6958 -75.7953 -28.2356 -31.0345 -29.8038 21.4365 TIMING: 3596200 CPU: 11366, 0.00316748/step Wall: 11366, 0.00316748/step, 1.23514 hours remaining, 237.128906 MB of memory in use. ENERGY: 3596200 4022.8584 20443.2122 14447.6146 256.1665 -203699.3059 2692.3535 0.0000 0.0000 52244.3598 -109592.7409 300.2491 -161837.1007 -109230.1840 299.0865 122.8723 147.6292 758561.6502 -3.1952 -3.1736 LDB: ============= START OF LOAD BALANCING ============== 11378.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11378.4 LDB: =============== DONE WITH MIGRATION ================ 11378.4 LDB: ============= START OF LOAD BALANCING ============== 11378.8 LDB: Largest compute 7078 load 0.031694 is 16.2% of average load 0.196132 LDB: Average compute 0.004384 is 2.2% of average load 0.196132 LDB: TIME 11378.8 LOAD: AVG 0.196132 MAX 0.21819 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 11378.8 LOAD: AVG 0.196132 MAX 0.21819 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: TIME 11378.8 LOAD: AVG 0.196132 MAX 0.21819 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.41 MB LDB: ============== END OF LOAD BALANCING =============== 11378.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11378.8 PRESSURE: 3596400 -149.544 -57.593 -33.6641 -57.5922 -129.497 16.7084 -33.6644 16.7079 -776.725 GPRESSURE: 3596400 -153.836 -126.256 3.1595 -160.695 -74.2439 80.4385 -31.606 -17.4291 -747.634 PRESSAVG: 3596400 10.8453 31.0641 -49.7638 31.0641 -8.12884 33.5375 -49.7637 33.5375 16.4414 GPRESSAVG: 3596400 11.674 29.6487 -50.1876 32.5323 -9.94066 33.1127 -50.698 33.2874 16.9189 TIMING: 3596400 CPU: 11366.7, 0.00324933/step Wall: 11366.7, 0.00324933/step, 1.26688 hours remaining, 237.699219 MB of memory in use. ENERGY: 3596400 4100.6098 20497.3943 14461.3008 243.7321 -203392.3467 2333.1427 0.0000 0.0000 52008.0136 -109748.1534 298.8908 -161756.1670 -109390.8835 299.3918 -351.9221 -325.2380 759729.1461 6.3859 6.2174 PRESSURE: 3596600 -78.7382 51.2486 -87.0773 51.2495 -216.583 145.653 -87.0774 145.653 361.399 GPRESSURE: 3596600 -140.869 79.9233 -71.5095 124.797 -8.15391 119.18 -93.0717 91.4743 308.985 PRESSAVG: 3596600 -30.7806 43.588 3.20392 43.588 5.99448 -31.9458 3.20397 -31.9459 24.6045 GPRESSAVG: 3596600 -31.866 44.3912 4.08958 44.2931 6.94384 -31.0295 2.1409 -32.8169 24.9414 TIMING: 3596600 CPU: 11367.3, 0.00315209/step Wall: 11367.3, 0.00315209/step, 1.22879 hours remaining, 237.699219 MB of memory in use. ENERGY: 3596600 3992.1607 20463.7100 14393.8337 242.0800 -203301.7266 2500.9364 0.0000 0.0000 51858.2466 -109850.7593 298.0301 -161709.0058 -109489.4123 298.5437 22.0260 53.3205 760617.3825 -0.0605 0.0064 PRESSURE: 3596800 -318.519 177.326 36.2061 177.327 -308.314 -96.8727 36.2057 -96.8728 347.698 GPRESSURE: 3596800 -206.06 116.733 10.3232 143.514 -287.635 -112.713 166.609 26.5348 315.618 PRESSAVG: 3596800 -1.74474 62.5912 -30.8133 62.5912 -5.91097 -15.9086 -30.8133 -15.9086 -8.57531 GPRESSAVG: 3596800 -1.39769 60.2823 -30.6809 60.4729 -5.38429 -15.4883 -30.2921 -14.1022 -9.33292 TIMING: 3596800 CPU: 11367.9, 0.00314755/step Wall: 11367.9, 0.00314755/step, 1.22684 hours remaining, 237.699219 MB of memory in use. ENERGY: 3596800 3928.0802 20503.7684 14440.6378 249.8656 -203308.1577 2326.1304 0.0000 0.0000 52215.2008 -109644.4745 300.0815 -161859.6753 -109276.2668 298.9861 -93.0450 -59.3591 759921.8329 -5.4103 -5.3716 PRESSURE: 3597000 -158.295 21.9656 121.603 21.9658 -299.507 -69.1223 121.602 -69.1211 338.947 GPRESSURE: 3597000 -44.5737 38.752 27.7133 52.424 -250.742 -7.84918 280.539 -92.0608 275.165 PRESSAVG: 3597000 3.93369 70.644 -25.9644 70.6439 4.96393 2.11153 -25.9644 2.11157 9.22444 GPRESSAVG: 3597000 4.40816 72.8082 -26.6512 70.8601 3.74313 3.0379 -22.2781 1.78887 10.1895 TIMING: 3597000 CPU: 11368.6, 0.00316723/step Wall: 11368.6, 0.00316723/step, 1.23434 hours remaining, 237.699219 MB of memory in use. ENERGY: 3597000 3986.1463 20530.3241 14470.6339 240.7683 -203197.7108 2324.7299 0.0000 0.0000 51866.7040 -109778.4043 298.0787 -161645.1083 -109415.3944 298.5150 -39.6184 -6.7170 760318.1981 6.0407 6.1136 PRESSURE: 3597200 -185.648 192.694 -17.4918 192.693 64.1846 -188.86 -17.4918 -188.86 -422.699 GPRESSURE: 3597200 -117.586 132.149 -15.82 215.441 115.189 -197.905 71.0497 -57.1493 -458.952 PRESSAVG: 3597200 15.1774 41.4293 -26.6917 41.4293 -80.2978 7.56572 -26.6917 7.56577 1.43771 GPRESSAVG: 3597200 13.9133 39.0672 -26.3519 44.6773 -79.5925 5.67162 -31.6062 5.80373 1.60297 TIMING: 3597200 CPU: 11369.2, 0.00318055/step Wall: 11369.2, 0.00318055/step, 1.23935 hours remaining, 237.699219 MB of memory in use. ENERGY: 3597200 3946.3262 20497.1163 14420.0247 246.4815 -203274.9254 2240.7201 0.0000 0.0000 52131.8015 -109792.4551 299.6022 -161924.2566 -109432.3440 298.7593 -181.3875 -153.7829 760956.1410 -21.2276 -21.3587 PRESSURE: 3597400 -188.183 -221.416 -2.2101 -221.417 231.682 252.247 -2.21174 252.247 184.886 GPRESSURE: 3597400 -55.7006 -321.039 -102.548 -144.109 124.688 288.309 95.171 130.446 255.189 PRESSAVG: 3597400 35.0453 1.55366 -33.2718 1.55368 -48.5039 -23.1943 -33.2719 -23.1944 -29.898 GPRESSAVG: 3597400 37.1525 3.04771 -35.5852 -0.178705 -49.3424 -23.181 -29.4688 -21.6571 -30.9651 TIMING: 3597400 CPU: 11369.8, 0.0031716/step Wall: 11369.8, 0.0031716/step, 1.23569 hours remaining, 237.699219 MB of memory in use. ENERGY: 3597400 3989.6157 20544.6903 14417.0332 234.7856 -203667.0502 2836.5799 0.0000 0.0000 51922.1096 -109722.2359 298.3971 -161644.3454 -109359.3238 298.8485 76.1283 108.0589 761652.3049 -14.4522 -14.3850 PRESSURE: 3597600 -191.676 83.2279 110.282 83.2281 -87.5243 -146.049 110.282 -146.049 -189.145 GPRESSURE: 3597600 -189.715 53.2301 104.729 25.7477 3.2999 -139.857 0.942738 -219.224 -198.565 PRESSAVG: 3597600 28.0888 -90.3713 -18.9098 -90.3713 10.3544 -27.0901 -18.9098 -27.0901 18.0893 GPRESSAVG: 3597600 26.6625 -90.4495 -17.818 -90.392 10.1547 -27.4647 -21.8846 -28.2066 19.4813 TIMING: 3597600 CPU: 11370.5, 0.00316319/step Wall: 11370.5, 0.00316319/step, 1.23224 hours remaining, 237.699219 MB of memory in use. ENERGY: 3597600 4007.5077 20516.4127 14410.5558 248.6970 -203214.8238 2376.5215 0.0000 0.0000 51980.9169 -109674.2121 298.7350 -161655.1290 -109317.8617 298.6608 -156.1151 -128.3267 761886.0844 18.8442 18.7661 PRESSURE: 3597800 29.9036 156.344 208.494 156.345 361.442 -31.9246 208.494 -31.9239 219.685 GPRESSURE: 3597800 -34.7143 27.2877 292.305 23.1889 430.707 -152.612 79.8328 -28.5327 293.175 PRESSAVG: 3597800 -25.9626 -73.9896 -25.4873 -73.9897 62.7034 -68.6151 -25.4874 -68.6151 11.6518 GPRESSAVG: 3597800 -25.0923 -75.1698 -25.2073 -74.9795 62.9113 -68.0375 -23.6939 -68.4849 10.6461 TIMING: 3597800 CPU: 11371.1, 0.00315335/step Wall: 11371.1, 0.00315335/step, 1.22823 hours remaining, 237.699219 MB of memory in use. ENERGY: 3597800 3979.1651 20647.5906 14467.2850 243.1453 -203615.7289 2614.1745 0.0000 0.0000 52157.7655 -109506.6029 299.7514 -161664.3684 -109143.3981 299.6201 203.6770 229.7226 760144.1314 16.1309 16.1550 PRESSURE: 3598000 -246.823 140.097 171.946 140.097 56.9044 -32.4786 171.946 -32.4769 216.027 GPRESSURE: 3598000 -227.53 73.8089 219.921 180.096 131.375 -58.6713 186.642 66.3094 222.491 PRESSAVG: 3598000 -39.8029 -10.3318 25.6387 -10.3319 38.3292 -14.8817 25.6386 -14.8818 4.0425 GPRESSAVG: 3598000 -40.0135 -8.3565 25.768 -10.7 38.4993 -15.3871 26.3447 -13.7633 3.81471 TIMING: 3598000 CPU: 11371.7, 0.00317188/step Wall: 11371.7, 0.00317188/step, 1.23527 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3598000 3950.2949 20614.4287 14494.6847 247.0366 -203276.6935 2443.9530 0.0000 0.0000 52094.5502 -109431.7454 299.3881 -161526.2956 -109072.4800 299.7806 8.7031 42.1119 761577.2575 0.8563 0.7668 PRESSURE: 3598200 112.805 -10.1721 11.9441 -10.1732 -119.848 120.037 11.9441 120.039 -2.89086 GPRESSURE: 3598200 171.694 17.0822 37.8533 -48.9138 -130.77 136.061 -15.8204 47.0758 44.8685 PRESSAVG: 3598200 -27.028 2.97374 -0.241183 2.97376 -23.8569 -45.0722 -0.241085 -45.0721 19.605 GPRESSAVG: 3598200 -26.3707 1.13053 -1.35299 6.09744 -22.865 -44.1957 -0.609464 -45.4808 18.1125 TIMING: 3598200 CPU: 11372.4, 0.00316491/step Wall: 11372.4, 0.00316491/step, 1.23238 hours remaining, 237.699219 MB of memory in use. ENERGY: 3598200 3970.1739 20528.9941 14534.3439 248.6542 -203454.5387 2413.7139 0.0000 0.0000 52230.2709 -109528.3878 300.1681 -161758.6587 -109170.7813 299.5209 -3.3113 28.5976 760122.9397 -10.4266 -10.3744 PRESSURE: 3598400 105.505 44.8435 -80.6069 44.8438 -129.522 92.5652 -80.6072 92.5652 -85.5386 GPRESSURE: 3598400 123.162 63.3422 -42.1615 65.0631 -62.6512 66.3415 74.5619 -36.0046 -73.6067 PRESSAVG: 3598400 -55.076 -60.2341 12.2302 -60.2341 22.5038 -14.5053 12.2302 -14.5053 14.4797 GPRESSAVG: 3598400 -56.062 -59.8261 13.9817 -62.5666 21.9311 -15.0532 12.4332 -14.0938 16.3478 TIMING: 3598400 CPU: 11373, 0.00317979/step Wall: 11373, 0.00317979/step, 1.238 hours remaining, 237.699219 MB of memory in use. ENERGY: 3598400 4026.6543 20611.7405 14375.2808 245.2151 -203393.7882 2514.2650 0.0000 0.0000 52023.2480 -109597.3844 298.9783 -161620.6324 -109239.0264 299.3295 -36.5183 -4.3654 760665.3026 -6.0308 -5.9277 PRESSURE: 3598600 -57.3907 12.0906 -45.9465 12.09 -161.849 124.066 -45.9459 124.066 56.3955 GPRESSURE: 3598600 34.812 -34.8816 -7.7953 -16.926 -106.872 -4.77944 -72.0019 69.7817 9.84705 PRESSAVG: 3598600 14.8658 3.95663 16.1647 3.95663 -12.3634 -3.12088 16.1648 -3.12086 -17.0052 GPRESSAVG: 3598600 15.11 4.49321 16.3003 4.07127 -11.8511 -3.27416 15.7672 -3.70733 -18.0833 TIMING: 3598600 CPU: 11373.6, 0.00316695/step Wall: 11373.6, 0.00316695/step, 1.23282 hours remaining, 237.699219 MB of memory in use. ENERGY: 3598600 4008.8988 20426.2133 14471.5639 267.4576 -203512.1436 2704.3221 0.0000 0.0000 51848.9293 -109784.7586 297.9765 -161633.6878 -109434.2623 299.0347 -54.2815 -20.7377 760493.1772 -4.8343 -4.9415 PRESSURE: 3598800 -278.341 -107.993 18.7126 -107.993 -310.983 -17.0921 18.712 -17.0922 -361.071 GPRESSURE: 3598800 -223.495 -108.854 14.7749 -35.6041 -362.598 60.4525 -73.8095 -124.726 -288.75 PRESSAVG: 3598800 -23.7769 -18.0109 18.978 -18.011 -18.9457 -28.7929 18.978 -28.7928 -8.01072 GPRESSAVG: 3598800 -24.1541 -18.6539 17.6365 -18.1173 -18.8403 -28.5625 19.2643 -29.9046 -7.63231 TIMING: 3598800 CPU: 11374.3, 0.0031847/step Wall: 11374.3, 0.0031847/step, 1.23956 hours remaining, 237.699219 MB of memory in use. ENERGY: 3598800 4007.2880 20443.4958 14559.9071 231.6525 -203657.8274 2609.3321 0.0000 0.0000 52192.3078 -109613.8440 299.9499 -161806.1518 -109252.3914 298.7292 -316.7985 -291.6144 761075.2790 -16.9111 -16.8756 PRESSURE: 3599000 -197.68 -6.17685 181.509 -6.17601 -157.198 -26.3949 181.509 -26.3945 -408.15 GPRESSURE: 3599000 -115.937 130.313 148.463 2.16773 -175.025 15.0691 141.531 23.9686 -389.04 PRESSAVG: 3599000 16.9518 2.10859 39.0223 2.10857 -13.6544 -41.7326 39.0223 -41.7327 22.4679 GPRESSAVG: 3599000 18.1492 3.09591 39.8948 3.27064 -14.3936 -42.4364 39.1713 -39.5863 21.9661 TIMING: 3599000 CPU: 11374.9, 0.00320074/step Wall: 11374.9, 0.00320074/step, 1.24562 hours remaining, 237.699219 MB of memory in use. ENERGY: 3599000 3983.9281 20527.4933 14483.4730 247.7297 -203121.0847 2415.5741 0.0000 0.0000 51754.3782 -109708.5083 297.4331 -161462.8865 -109341.7961 298.8274 -254.3428 -226.6672 763249.9363 8.5884 8.5739 PRESSURE: 3599200 182.485 -130.863 50.7707 -130.863 584.738 -46.9285 50.7702 -46.9287 217.724 GPRESSURE: 3599200 202.936 -244.634 17.2262 -212.372 566.434 4.69593 24.0391 -65.9557 308.19 PRESSAVG: 3599200 -13.1108 35.8239 34.436 35.8239 54.9583 -50.8664 34.4361 -50.8664 2.07375 GPRESSAVG: 3599200 -14.2229 35.1825 33.9524 34.2834 56.0212 -49.945 34.2672 -52.5809 2.41925 TIMING: 3599200 CPU: 11375.6, 0.00319722/step Wall: 11375.6, 0.00319722/step, 1.24407 hours remaining, 237.699219 MB of memory in use. ENERGY: 3599200 3914.9631 20546.3494 14415.6320 263.3877 -203295.2442 2547.5912 0.0000 0.0000 52206.6787 -109400.6422 300.0325 -161607.3208 -109029.7239 299.2613 328.3156 359.1866 760484.2684 14.6404 14.7392 PRESSURE: 3599400 -175.432 -264.232 -233.26 -264.231 109.386 133.527 -233.261 133.527 -22.2467 GPRESSURE: 3599400 -73.2179 -200.946 -243.276 -119.913 7.82281 75.906 -134.562 109.508 70.9243 PRESSAVG: 3599400 23.3095 28.9885 -10.9047 28.9885 -49.2453 15.9034 -10.9048 15.9034 20.3453 GPRESSAVG: 3599400 23.5457 29.0178 -11.0123 29.1759 -50.6686 15.2267 -11.7687 17.8938 21.7679 TIMING: 3599400 CPU: 11376.2, 0.00320679/step Wall: 11376.2, 0.00320679/step, 1.24762 hours remaining, 237.699219 MB of memory in use. ENERGY: 3599400 4074.4480 20392.2165 14421.1035 257.8737 -203084.2387 2574.6108 0.0000 0.0000 52111.6285 -109252.3576 299.4862 -161363.9861 -108885.6358 299.6280 -29.4308 1.8431 762100.5394 -1.8635 -1.7850 PRESSURE: 3599600 -92.1525 -109.421 24.1832 -109.422 -234.691 158.015 24.1821 158.014 -12.5748 GPRESSURE: 3599600 -68.0785 -23.5009 -23.9619 -40.4272 -149.424 28.1897 -49.542 146.633 -59.9652 PRESSAVG: 3599600 -6.77947 -48.9003 0.0767449 -48.9003 8.6029 45.9522 0.0767937 45.9522 1.4447 GPRESSAVG: 3599600 -6.85479 -48.789 0.754442 -46.9509 9.28223 46.8055 1.32291 44.7231 0.965392 TIMING: 3599600 CPU: 11376.8, 0.00317805/step Wall: 11376.8, 0.00317805/step, 1.23626 hours remaining, 237.699219 MB of memory in use. ENERGY: 3599600 4025.2956 20471.9589 14323.5800 239.1570 -202722.8634 2303.4329 0.0000 0.0000 52168.1903 -109191.2488 299.8113 -161359.4391 -108837.7351 299.7722 -113.1396 -92.4893 762042.0290 1.0894 1.1309 PRESSURE: 3599800 -139.371 -12.0432 137.976 -12.0427 -60.2703 -43.2981 137.975 -43.2987 -83.9628 GPRESSURE: 3599800 -91.5308 66.423 173.779 -9.28718 -64.4994 -63.4355 43.0067 76.3429 -23.5228 PRESSAVG: 3599800 -46.7423 7.50759 -22.2696 7.50757 3.22183 33.0595 -22.2696 33.0595 18.805 GPRESSAVG: 3599800 -46.8699 6.42878 -22.2876 7.47826 3.83832 32.1058 -22.7546 33.236 18.512 TIMING: 3599800 CPU: 11377.5, 0.00317439/step Wall: 11377.5, 0.00317439/step, 1.23466 hours remaining, 237.699219 MB of memory in use. ENERGY: 3599800 3979.8912 20435.1552 14421.3118 244.4746 -202704.1201 2103.9539 0.0000 0.0000 52129.8296 -109389.5037 299.5908 -161519.3333 -109022.6307 299.9538 -94.5347 -59.8510 761176.6593 -8.2385 -8.1732 PRESSURE: 3600000 89.3652 22.0585 68.5557 22.059 -149.718 54.6418 68.5559 54.6426 190.709 GPRESSURE: 3600000 160.465 61.7269 79.8998 -78.5598 -89.0351 11.0898 -52.4398 176.818 148.867 PRESSAVG: 3600000 -66.0686 -39.8437 -12.3419 -39.8438 76.6955 25.7911 -12.3419 25.791 10.2773 GPRESSAVG: 3600000 -66.0875 -39.6334 -11.7852 -41.6671 77.558 25.555 -11.6977 24.448 9.62511 TIMING: 3600000 CPU: 11378.1, 0.00318962/step Wall: 11378.1, 0.00318962/step, 1.24041 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3600000 4062.0492 20507.0436 14474.9489 250.3521 -203072.7765 2561.0117 0.0000 0.0000 51923.2819 -109294.0890 298.4038 -161217.3709 -108937.5888 299.8003 43.4524 73.4323 760229.8960 6.9681 7.0319 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600200 -246.313 -107.117 -10.0377 -107.118 92.4397 -195.351 -10.0375 -195.35 -76.8826 GPRESSURE: 3600200 -235.022 -36.319 51.3987 -175.815 85.9374 -183.879 29.733 -207.125 28.5444 PRESSAVG: 3600200 -8.09134 -11.3151 -3.11418 -11.3151 9.19959 77.7284 -3.11421 77.7284 -12.5769 GPRESSAVG: 3600200 -8.24229 -8.38802 -4.96485 -11.1083 8.77111 77.8402 -3.30033 78.2013 -11.7681 TIMING: 3600200 CPU: 11378.8, 0.00342488/step Wall: 11378.8, 0.00342488/step, 1.33171 hours remaining, 237.699219 MB of memory in use. ENERGY: 3600200 4057.4314 20601.3192 14381.1513 242.9230 -203036.7193 2363.2346 0.0000 0.0000 52132.8866 -109257.7733 299.6084 -161390.6599 -108903.6234 299.7550 -76.9185 -40.1802 761079.2301 -3.8229 -3.7464 LDB: ============= START OF LOAD BALANCING ============== 11391.2 LDB: ============== END OF LOAD BALANCING =============== 11391.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11391.2 LDB: ============= START OF LOAD BALANCING ============== 11391.5 LDB: Largest compute 7033 load 0.033199 is 16.9% of average load 0.196087 LDB: Average compute 0.004405 is 2.2% of average load 0.196087 LDB: TIME 11391.5 LOAD: AVG 0.196087 MAX 0.217323 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 11391.5 LOAD: AVG 0.196087 MAX 0.217323 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 11391.5 LOAD: AVG 0.196087 MAX 0.217323 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 11391.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11391.5 PRESSURE: 3600400 -7.72592 289.801 15.6497 289.801 116.268 29.4532 15.65 29.4542 69.3713 GPRESSURE: 3600400 44.7496 245.336 138.551 371.56 159.352 -44.5341 -56.1059 24.4395 59.7417 PRESSAVG: 3600400 -4.7722 28.0143 -2.7017 28.0143 9.7164 48.9696 -2.70168 48.9696 10.3616 GPRESSAVG: 3600400 -3.30707 23.1593 -0.903073 28.4776 8.70193 50.0973 -3.32288 48.8061 9.76848 TIMING: 3600400 CPU: 11379.5, 0.00327488/step Wall: 11379.5, 0.00327488/step, 1.2732 hours remaining, 240.589844 MB of memory in use. ENERGY: 3600400 4005.8944 20423.0285 14524.4950 230.7258 -203224.0014 2498.4320 0.0000 0.0000 52227.7586 -109313.6671 300.1536 -161541.4257 -108953.3160 299.4770 59.3045 87.9477 760813.0415 5.1019 5.0544 PRESSURE: 3600600 17.4042 -37.4123 101.125 -37.4119 171.198 -193.005 101.124 -193.005 282.037 GPRESSURE: 3600600 21.5425 51.7738 3.27805 -153.53 255.366 -153.991 174.412 -120.735 277.456 PRESSAVG: 3600600 13.4815 -9.83484 4.33555 -9.83484 -12.2482 -13.1846 4.33548 -13.1845 -15.7125 GPRESSAVG: 3600600 12.2835 -5.4757 3.21565 -10.4185 -11.1054 -14.5273 4.48469 -13.6477 -15.5966 TIMING: 3600600 CPU: 11380.1, 0.00323622/step Wall: 11380.1, 0.00323622/step, 1.25799 hours remaining, 240.792969 MB of memory in use. ENERGY: 3600600 3984.0271 20443.1357 14462.8074 242.9671 -203406.4236 2644.9627 0.0000 0.0000 52106.3653 -109522.1582 299.4560 -161628.5236 -109146.7151 298.7605 156.8798 184.7884 760127.3516 -4.8264 -4.8062 PRESSURE: 3600800 -449.303 -51.7963 -0.192412 -51.796 109.11 -21.2516 -0.19355 -21.2509 85.9025 GPRESSURE: 3600800 -415.926 -66.1272 13.0455 -34.5634 120.534 -28.751 -125.149 -93.0881 109.415 PRESSAVG: 3600800 6.86993 -8.04117 -2.27965 -8.04113 12.0967 -38.7832 -2.27964 -38.7833 5.89178 GPRESSAVG: 3600800 5.65874 -10.9524 -3.21671 -8.55106 12.1436 -37.7603 -2.105 -37.1081 6.21706 TIMING: 3600800 CPU: 11380.7, 0.00322037/step Wall: 11380.7, 0.00322037/step, 1.25165 hours remaining, 240.792969 MB of memory in use. ENERGY: 3600800 3975.9317 20453.8294 14433.7735 233.1297 -203169.7144 2434.8709 0.0000 0.0000 52043.3033 -109594.8759 299.0936 -161638.1792 -109245.7551 298.8118 -84.7635 -61.9923 762407.6201 8.2862 8.0065 PRESSURE: 3601000 10.9567 12.6176 -12.1508 12.6181 -287.423 209.128 -12.1507 209.129 492.557 GPRESSURE: 3601000 65.6428 34.1171 30.0421 33.5738 -177.898 349.673 13.8441 330.344 399.687 PRESSAVG: 3601000 14.6044 41.8609 -25.7045 41.8608 -10.3692 -7.84428 -25.7045 -7.84426 47.4139 GPRESSAVG: 3601000 16.3585 44.2645 -25.3954 42.8702 -11.2858 -7.47004 -25.9965 -8.76013 46.2806 TIMING: 3601000 CPU: 11381.4, 0.00318771/step Wall: 11381.4, 0.0031877/step, 1.23878 hours remaining, 240.792969 MB of memory in use. ENERGY: 3601000 3962.3063 20582.8664 14376.1575 254.3162 -203261.8275 2494.1397 0.0000 0.0000 52018.3436 -109573.6978 298.9501 -161592.0414 -109208.9672 298.7609 72.0301 95.8106 762069.5188 17.2164 17.1178 PRESSURE: 3601200 -79.7281 -78.731 213.418 -78.7321 -60.0128 4.29658 213.418 4.29532 75.712 GPRESSURE: 3601200 -66.2408 -87.7479 234.263 -5.10675 19.4458 58.8564 139.489 -33.8751 72.8782 PRESSAVG: 3601200 29.3589 -15.1639 6.4974 -15.1639 -15.7696 25.3531 6.49738 25.3531 -18.0504 GPRESSAVG: 3601200 27.6061 -16.2849 6.50778 -15.1068 -15.1693 25.1057 5.74316 25.6526 -17.0264 TIMING: 3601200 CPU: 11382, 0.00319226/step Wall: 11382, 0.00319226/step, 1.24037 hours remaining, 240.792969 MB of memory in use. ENERGY: 3601200 3947.8553 20552.5366 14435.8442 216.8750 -203659.7581 2713.7917 0.0000 0.0000 52015.4369 -109777.4184 298.9334 -161792.8553 -109417.1558 298.5864 -21.3429 8.6944 760922.6895 -1.4870 -1.5299 PRESSURE: 3601400 -362.828 -219.199 -43.3059 -219.2 -71.5443 68.4876 -43.3059 68.4881 -150.102 GPRESSURE: 3601400 -382.061 -48.716 -3.53622 -237.328 -22.3512 98.5402 -36.8523 45.5097 -102.962 PRESSAVG: 3601400 -41.9179 -44.0686 10.8169 -44.0686 4.3138 -40.575 10.8169 -40.575 16.224 GPRESSAVG: 3601400 -40.8331 -42.9837 12.1408 -44.69 3.66 -39.2224 11.0881 -42.4367 15.7 TIMING: 3601400 CPU: 11382.7, 0.00320425/step Wall: 11382.7, 0.00320425/step, 1.24485 hours remaining, 240.792969 MB of memory in use. ENERGY: 3601400 3983.4979 20569.1451 14396.6257 253.2355 -202985.6824 2401.3989 0.0000 0.0000 51728.9575 -109652.8218 297.2870 -161381.7793 -109296.3397 298.6335 -194.8245 -169.1245 762506.0946 -7.1267 -7.1577 PRESSURE: 3601600 -119.502 -123.802 -154.697 -123.802 14.5891 -52.0861 -154.697 -52.0847 4.17412 GPRESSURE: 3601600 -38.5113 -167.415 -57.5224 -199.434 -62.7835 7.53594 -129.406 107.49 73.8567 PRESSAVG: 3601600 -54.4655 -58.9218 -46.8321 -58.9218 49.4236 -31.8351 -46.8321 -31.8351 -3.32562 GPRESSAVG: 3601600 -53.7361 -60.0726 -47.3341 -58.7048 49.8215 -34.7492 -46.7847 -29.1465 -3.94587 TIMING: 3601600 CPU: 11383.3, 0.00321309/step Wall: 11383.3, 0.00321309/step, 1.24811 hours remaining, 240.792969 MB of memory in use. ENERGY: 3601600 4029.5476 20398.8863 14487.1420 234.6278 -203176.4552 2534.6451 0.0000 0.0000 51885.1758 -109606.4306 298.1848 -161491.6063 -109243.7917 298.5197 -33.5796 -9.1460 761987.8400 -2.7892 -2.6202 PRESSURE: 3601800 114.546 -17.7024 -92.8254 -17.7018 -171.086 79.0335 -92.8256 79.0341 397.614 GPRESSURE: 3601800 218.957 84.1372 -30.7671 -30.161 -158.044 25.8137 -121.628 43.739 374.569 PRESSAVG: 3601800 -23.3865 -3.98034 13.3429 -3.98031 17.6088 -21.9421 13.343 -21.9421 22.5871 GPRESSAVG: 3601800 -23.496 -3.01022 13.6807 -3.78911 17.3415 -19.7679 13.017 -24.7144 23.4524 TIMING: 3601800 CPU: 11383.9, 0.00320235/step Wall: 11383.9, 0.00320235/step, 1.24376 hours remaining, 240.792969 MB of memory in use. ENERGY: 3601800 3963.7990 20429.3722 14414.2017 253.2841 -203244.8934 2524.9139 0.0000 0.0000 52098.2279 -109561.0946 299.4092 -161659.3225 -109199.3286 298.8155 113.6910 145.1607 762005.8299 5.6031 5.7660 PRESSURE: 3602000 192.563 -167.942 -286.635 -167.942 -163.285 281.731 -286.635 281.731 -264.529 GPRESSURE: 3602000 204.96 -142.312 -211.87 -141.784 -122.748 166.389 -305.361 314.608 -224.176 PRESSAVG: 3602000 -6.48287 2.23876 -10.4236 2.23881 -1.0873 43.0666 -10.4236 43.0667 6.87583 GPRESSAVG: 3602000 -7.47737 1.08283 -10.3115 2.01267 -0.235976 42.9406 -9.84688 43.7836 6.73004 TIMING: 3602000 CPU: 11384.6, 0.0031839/step Wall: 11384.6, 0.0031839/step, 1.23641 hours remaining, 240.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3602000 3966.7645 20473.8955 14456.9963 257.1071 -203535.8586 2783.4240 0.0000 0.0000 52136.3764 -109461.2947 299.6285 -161597.6711 -109096.7328 298.9442 -78.4171 -47.3213 761981.1454 -0.2314 -0.3278 PRESSURE: 3602200 -125.575 -40.3837 -143.525 -40.3832 -69.2252 72.619 -143.524 72.6194 -84.5708 GPRESSURE: 3602200 -79.9199 -35.5094 8.42504 -84.3727 -17.2151 30.9673 -131.094 42.5852 -87.8156 PRESSAVG: 3602200 -64.2474 -41.5686 -18.8843 -41.5685 71.5224 57.1825 -18.8843 57.1826 15.3867 GPRESSAVG: 3602200 -65.0976 -41.6299 -18.6489 -41.0635 72.8158 56.6721 -19.5376 56.7117 14.7906 TIMING: 3602200 CPU: 11385.2, 0.00322004/step Wall: 11385.2, 0.00322004/step, 1.25027 hours remaining, 240.792969 MB of memory in use. ENERGY: 3602200 4018.6474 20342.8570 14427.9568 253.8173 -203086.5846 2650.9865 0.0000 0.0000 52081.8900 -109310.4296 299.3153 -161392.3196 -108948.9296 299.6312 -93.1238 -61.6502 762513.9214 7.5539 7.5030 PRESSURE: 3602400 -42.2909 9.35146 69.0952 9.35216 67.6393 -369.892 69.0965 -369.893 -184.201 GPRESSURE: 3602400 42.454 -9.44536 164.19 -7.2741 5.44944 -337.52 -16.3369 -311.189 -122.303 PRESSAVG: 3602400 -83.6574 -2.65472 22.5937 -2.65467 66.8311 -36.3491 22.5938 -36.349 -24.7994 GPRESSAVG: 3602400 -82.777 -2.12961 20.9554 -1.47963 65.6722 -37.79 24.5161 -33.6948 -24.3962 TIMING: 3602400 CPU: 11385.9, 0.00323079/step Wall: 11385.9, 0.00323079/step, 1.25427 hours remaining, 240.792969 MB of memory in use. ENERGY: 3602400 3960.9744 20427.0288 14401.9482 243.3687 -203189.2202 2363.4525 0.0000 0.0000 52371.3897 -109421.0578 300.9791 -161792.4476 -109049.8692 299.4407 -52.9507 -24.7997 761668.2609 -13.8752 -13.8337 PRESSURE: 3602600 -271.27 -63.9172 -38.964 -63.9167 -111.013 243.811 -38.964 243.811 -233.519 GPRESSURE: 3602600 -215.184 -66.1331 53.8541 -124.842 -91.1165 192.719 -242.033 196.5 -246.316 PRESSAVG: 3602600 -21.7576 6.38251 -20.7317 6.38256 15.5834 11.8761 -20.7317 11.8761 19.492 GPRESSAVG: 3602600 -21.4347 5.33107 -20.5902 5.72394 15.1741 10.8748 -22.8373 11.8964 19.7623 TIMING: 3602600 CPU: 11386.5, 0.00321293/step Wall: 11386.5, 0.00321293/step, 1.24715 hours remaining, 240.792969 MB of memory in use. ENERGY: 3602600 3947.2154 20520.8672 14475.8874 258.6054 -203287.4086 2420.2532 0.0000 0.0000 52170.0260 -109494.5540 299.8219 -161664.5801 -109124.5228 299.4054 -205.2672 -184.2056 761662.6913 4.4393 4.5005 PRESSURE: 3602800 162.611 55.4041 -80.2751 55.4034 112.024 -14.5531 -80.2748 -14.5531 -308.311 GPRESSURE: 3602800 263.366 -39.9477 -84.0681 -29.7652 181.092 6.30073 -11.5854 -124.662 -377.066 PRESSAVG: 3602800 -14.9863 6.55276 -41.5772 6.55274 9.76897 -21.85 -41.5772 -21.8501 5.30145 GPRESSAVG: 3602800 -16.3253 8.28549 -41.8918 3.69115 10.4589 -19.7927 -40.3197 -22.6585 6.55583 TIMING: 3602800 CPU: 11387.2, 0.00322038/step Wall: 11387.2, 0.00322038/step, 1.24987 hours remaining, 240.792969 MB of memory in use. ENERGY: 3602800 3872.0661 20486.8842 14427.0947 234.3954 -203593.9029 2613.3310 0.0000 0.0000 52203.4825 -109756.6491 300.0141 -161960.1316 -109390.3682 299.1920 -11.2250 22.4641 761464.3509 0.0280 0.2298 PRESSURE: 3603000 19.2932 -2.36572 -251.928 -2.36533 -34.1526 14.5898 -251.927 14.5893 -228.241 GPRESSURE: 3603000 -41.2544 -87.5828 -236.807 -30.8662 59.3617 137.89 -72.1757 -81.7373 -192.22 PRESSAVG: 3603000 -24.5331 27.323 -14.2449 27.323 44.3229 -49.8021 -14.2449 -49.8021 13.5396 GPRESSAVG: 3603000 -23.9481 24.9079 -14.3719 30.5588 44.1229 -48.4069 -12.1998 -51.297 13.3711 TIMING: 3603000 CPU: 11387.8, 0.0032113/step Wall: 11387.8, 0.0032113/step, 1.24616 hours remaining, 240.792969 MB of memory in use. ENERGY: 3603000 3923.6364 20617.7720 14459.0597 232.8480 -203661.9537 2491.4019 0.0000 0.0000 52082.1957 -109855.0399 299.3171 -161937.2356 -109496.1230 298.2312 -81.0334 -58.0375 761568.6563 11.1098 11.1820 PRESSURE: 3603200 -30.0642 224.525 -193.267 224.525 68.3959 25.781 -193.266 25.7815 356.245 GPRESSURE: 3603200 69.089 247.363 -268.534 343 86.1342 -68.2933 -174.906 116.43 315.24 PRESSAVG: 3603200 -30.0422 7.81936 -4.61925 7.81941 -4.31961 -8.69332 -4.61928 -8.69329 18.4375 GPRESSAVG: 3603200 -28.6436 11.6918 -4.18153 6.08806 -4.4974 -11.2543 -5.84762 -8.78897 17.132 TIMING: 3603200 CPU: 11388.5, 0.00328422/step Wall: 11388.5, 0.00328421/step, 1.27428 hours remaining, 240.792969 MB of memory in use. ENERGY: 3603200 3920.3218 20465.9286 14442.8473 233.5346 -203731.8283 3011.3180 0.0000 0.0000 51896.0195 -109761.8586 298.2471 -161657.8781 -109402.1893 299.2086 131.5257 156.8211 762099.6181 -5.3081 -5.3363 PRESSURE: 3603400 -9.62837 -200.208 263.747 -200.208 229.797 -128.068 263.747 -128.069 -255.041 GPRESSURE: 3603400 23.4386 -171.505 239.173 -99.9293 207.296 -163.729 369.226 -15.1152 -193.853 PRESSAVG: 3603400 -56.5984 -15.3476 16.2896 -15.3476 45.1438 -26.4393 16.2896 -26.4393 -0.0929181 GPRESSAVG: 3603400 -57.6271 -15.804 15.4584 -12.8719 44.9169 -24.7205 15.3523 -26.1173 1.02488 TIMING: 3603400 CPU: 11389.1, 0.00325368/step Wall: 11389.1, 0.00325368/step, 1.26225 hours remaining, 240.792969 MB of memory in use. ENERGY: 3603400 3978.7310 20587.2250 14422.8365 238.7901 -203531.3600 2602.8222 0.0000 0.0000 52007.0975 -109693.8577 298.8855 -161700.9552 -109338.2624 298.7188 -11.6243 12.2939 761730.3604 -3.8492 -3.8951 PRESSURE: 3603600 188.547 127.669 -100.969 127.669 86.8096 58.7588 -100.968 58.7591 362.286 GPRESSURE: 3603600 177.822 36.7344 -164.031 248.5 135.505 59.2332 -114.704 46.4538 429.272 PRESSAVG: 3603600 -1.29378 -11.1904 -19.5258 -11.1905 18.4623 -46.3299 -19.5258 -46.3299 16.3542 GPRESSAVG: 3603600 -0.805621 -13.8724 -19.5386 -11.0569 18.8771 -46.3574 -18.8884 -45.42 15.6146 TIMING: 3603600 CPU: 11389.8, 0.00324135/step Wall: 11389.8, 0.00324135/step, 1.25728 hours remaining, 240.792969 MB of memory in use. ENERGY: 3603600 3962.9182 20632.5545 14393.4443 234.4629 -203837.7539 2957.4596 0.0000 0.0000 51974.8788 -109682.0356 298.7003 -161656.9144 -109329.5333 298.9786 212.5476 247.5331 760202.4972 11.1742 11.2287 PRESSURE: 3603800 184.196 -54.7627 -155.76 -54.763 -178.694 78.7074 -155.759 78.708 86.6583 GPRESSURE: 3603800 223.544 -106.103 -134.023 -21.8582 -122.721 53.0257 -110.042 4.68639 77.2941 PRESSAVG: 3603800 1.74121 -9.34552 60.1039 -9.34551 -24.5431 0.24879 60.1039 0.248761 -1.79311 GPRESSAVG: 3603800 0.988477 -10.3015 63.5609 -9.45833 -25.0728 -0.102388 58.0249 -1.61491 -1.07031 TIMING: 3603800 CPU: 11390.4, 0.00324367/step Wall: 11390.4, 0.00324367/step, 1.258 hours remaining, 240.792969 MB of memory in use. ENERGY: 3603800 3910.6098 20410.6126 14396.1985 264.6756 -203560.7985 2684.3690 0.0000 0.0000 52202.1566 -109692.1764 300.0065 -161894.3330 -109329.6099 299.0530 30.7203 59.3721 762105.9747 -8.1983 -8.3849 PRESSURE: 3604000 -35.4401 -157.457 -54.4639 -157.459 256.753 115.277 -54.4642 115.278 -39.3354 GPRESSURE: 3604000 81.7099 -132.397 -106.542 14.9655 263.857 92.6521 -41.8603 133.915 -50.341 PRESSAVG: 3604000 -16.4464 -19.2391 44.2805 -19.2391 6.47391 45.7206 44.2805 45.7206 -10.5617 GPRESSAVG: 3604000 -16.2077 -18.3714 42.748 -18.3487 6.81567 45.6926 42.306 47.277 -10.8137 TIMING: 3604000 CPU: 11391, 0.00319648/step Wall: 11391, 0.00319648/step, 1.23953 hours remaining, 240.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3604000 3987.4639 20448.6708 14441.2174 236.9566 -203442.5549 2810.3245 0.0000 0.0000 51930.0246 -109587.8971 298.4426 -161517.9217 -109224.2714 298.8248 60.6591 98.4087 761618.3407 -6.8447 -6.7353 PRESSURE: 3604200 -198.947 -75.5284 -146.505 -75.5284 38.1399 111.219 -146.505 111.22 -129.504 GPRESSURE: 3604200 -200.114 -188.847 -109.066 -201.926 95.5075 8.03145 -150.496 26.3051 -123.646 PRESSAVG: 3604200 -10.4718 -13.1185 27.2791 -13.1185 49.1845 4.09489 27.2791 4.09492 6.9868 GPRESSAVG: 3604200 -10.6624 -12.9242 26.1045 -15.5709 49.386 5.28351 30.8123 4.95147 6.60677 TIMING: 3604200 CPU: 11391.7, 0.00321175/step Wall: 11391.7, 0.00321175/step, 1.24527 hours remaining, 240.792969 MB of memory in use. ENERGY: 3604200 4032.0078 20626.9870 14422.6159 246.5392 -203428.9405 2451.0770 0.0000 0.0000 52096.8439 -109552.8697 299.4013 -161649.7136 -109189.2054 299.2177 -96.7703 -76.0843 759898.9426 15.2332 15.1101 LDB: ============= START OF LOAD BALANCING ============== 11404.1 LDB: ============== END OF LOAD BALANCING =============== 11404.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11404.1 LDB: ============= START OF LOAD BALANCING ============== 11404.4 LDB: Largest compute 7034 load 0.033606 is 17.1% of average load 0.196080 LDB: Average compute 0.004392 is 2.2% of average load 0.196080 LDB: TIME 11404.4 LOAD: AVG 0.19608 MAX 0.222441 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 11404.4 LOAD: AVG 0.19608 MAX 0.222441 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.379 MB LDB: TIME 11404.4 LOAD: AVG 0.19608 MAX 0.222441 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11404.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11404.4 PRESSURE: 3604400 -163.63 91.3469 -16.9705 91.3468 -392.739 -70.303 -16.9705 -70.303 59.1387 GPRESSURE: 3604400 -111.189 141.367 63.9824 94.0795 -308.475 -13.8952 -170.223 -206.743 25.4994 PRESSAVG: 3604400 4.0851 -5.50224 -24.8025 -5.50234 2.65329 20.0128 -24.8025 20.0128 -30.6498 GPRESSAVG: 3604400 3.99817 -5.94416 -26.499 -4.81023 3.32339 19.0518 -25.9498 19.6524 -31.0728 TIMING: 3604400 CPU: 11392.3, 0.0032853/step Wall: 11392.3, 0.0032853/step, 1.2736 hours remaining, 239.125000 MB of memory in use. ENERGY: 3604400 3916.3624 20399.2757 14455.7949 245.3151 -203211.8473 2357.2658 0.0000 0.0000 52280.2074 -109557.6261 300.4551 -161837.8334 -109186.5258 299.3338 -165.7435 -131.3880 760578.8525 -7.9705 -7.9171 PRESSURE: 3604600 106.685 -90.8214 52.2513 -90.8211 22.1306 91.6018 52.2522 91.6029 91.6773 GPRESSURE: 3604600 64.8714 -147.362 25.6465 -158.142 12.0518 165.361 -23.8083 24.7364 235.869 PRESSAVG: 3604600 -37.5246 -7.19991 -4.38123 -7.19985 46.9218 -19.4473 -4.38117 -19.4473 2.47145 GPRESSAVG: 3604600 -37.5548 -6.32789 -3.18958 -7.11378 46.6999 -19.6003 -5.97041 -20.318 2.94183 TIMING: 3604600 CPU: 11393, 0.00326244/step Wall: 11393, 0.00326244/step, 1.26456 hours remaining, 239.328125 MB of memory in use. ENERGY: 3604600 3962.0722 20509.3933 14412.1510 243.5057 -203378.8845 2533.0161 0.0000 0.0000 51969.1256 -109749.6206 298.6673 -161718.7462 -109397.7725 299.0135 73.4977 104.2640 760855.7397 3.9562 4.0290 PRESSURE: 3604800 -130.66 -84.3046 271.784 -84.3041 -330.132 86.295 271.783 86.2949 210.555 GPRESSURE: 3604800 -118.201 -72.3348 282.392 -184.549 -246.211 73.3976 226.883 157.79 173.062 PRESSAVG: 3604800 -64.7439 -3.70367 25.897 -3.70367 78.6857 66.0419 25.897 66.0419 -12.4224 GPRESSAVG: 3604800 -64.3592 -3.99268 26.692 -4.58264 78.9684 65.8613 28.3391 64.9761 -13.1748 TIMING: 3604800 CPU: 11393.6, 0.00322203/step Wall: 11393.6, 0.00322203/step, 1.24871 hours remaining, 239.328125 MB of memory in use. ENERGY: 3604800 3935.0386 20553.2879 14402.1226 250.5871 -203507.8454 2518.6590 0.0000 0.0000 52103.0889 -109745.0614 299.4372 -161848.1503 -109388.1834 298.7905 -83.4122 -63.7831 761661.9127 0.5065 0.4782 PRESSURE: 3605000 -244.165 143.363 255.599 143.364 -187.033 -181.455 255.599 -181.456 -243.716 GPRESSURE: 3605000 -165.182 106.723 225.766 188.239 -185.33 -291.737 205.487 -174.1 -218.212 PRESSAVG: 3605000 10.5071 -35.7934 17.3605 -35.7934 -15.4203 27.4066 17.3605 27.4066 -15.0152 GPRESSAVG: 3605000 11.2124 -35.2252 17.4962 -35.6032 -16.1615 29.5564 17.1261 30.4602 -14.2554 TIMING: 3605000 CPU: 11394.3, 0.00327098/step Wall: 11394.3, 0.00327098/step, 1.2675 hours remaining, 239.328125 MB of memory in use. ENERGY: 3605000 3935.4555 20487.1490 14476.5565 252.0326 -203432.2364 2694.5452 0.0000 0.0000 51826.8015 -109759.6961 297.8493 -161586.4977 -109399.6530 298.4413 -224.9714 -189.5746 762327.8861 -6.6428 -6.4015 PRESSURE: 3605200 -112.451 132.369 83.9842 132.369 137.132 215.732 83.9842 215.731 92.3757 GPRESSURE: 3605200 -155.677 91.3261 95.6563 64.5795 104.261 165.724 41.379 110.672 261.518 PRESSAVG: 3605200 18.3904 -10.7492 -10.4815 -10.7492 14.0097 20.8094 -10.4815 20.8093 19.2419 GPRESSAVG: 3605200 18.8447 -9.48271 -13.4671 -9.08642 13.5451 19.0788 -8.37024 19.5803 18.7981 TIMING: 3605200 CPU: 11394.9, 0.0032214/step Wall: 11394.9, 0.0032214/step, 1.24811 hours remaining, 239.328125 MB of memory in use. ENERGY: 3605200 3963.0020 20448.0231 14539.0409 236.2422 -203341.9049 2289.6032 0.0000 0.0000 51742.4458 -110123.5478 297.3645 -161865.9936 -109766.4775 298.7179 39.0187 70.0341 759845.9868 17.2140 17.0627 PRESSURE: 3605400 -152.061 -109.749 -68.5225 -109.75 84.4429 -276.145 -68.5225 -276.145 -270.045 GPRESSURE: 3605400 -21.9539 -55.8523 -227.387 -134.916 72.0332 -302.127 34.2309 -166.489 -287.254 PRESSAVG: 3605400 56.5701 9.15407 -32.976 9.15407 14.618 -25.973 -32.976 -25.9731 11.047 GPRESSAVG: 3605400 57.0554 6.14904 -29.9929 9.63521 14.6965 -26.5937 -35.6293 -26.1298 10.4886 TIMING: 3605400 CPU: 11395.6, 0.00321579/step Wall: 11395.6, 0.00321579/step, 1.24576 hours remaining, 239.328125 MB of memory in use. ENERGY: 3605400 3936.7981 20460.9311 14442.3628 252.6103 -203564.6490 2450.2223 0.0000 0.0000 51799.7774 -110221.9470 297.6940 -162021.7243 -109874.5170 297.4634 -112.5543 -79.0582 761051.0665 27.4117 27.4135 PRESSURE: 3605600 -324.665 178.88 41.0553 178.88 -371.359 40.3401 41.0555 40.3397 123.776 GPRESSURE: 3605600 -248.473 139.168 -34.3146 178.009 -327.761 -21.4631 137.729 165.053 79.6821 PRESSAVG: 3605600 -4.10324 34.8192 -40.1471 34.8192 -31.9924 -28.9593 -40.1471 -28.9592 -23.8551 GPRESSAVG: 3605600 -4.19884 36.1797 -39.9775 33.1869 -32.662 -28.5689 -42.0458 -28.451 -22.5917 TIMING: 3605600 CPU: 11396.2, 0.00322986/step Wall: 11396.2, 0.00322986/step, 1.25103 hours remaining, 239.328125 MB of memory in use. ENERGY: 3605600 3941.4620 20480.6644 14408.9358 237.5334 -203423.2399 2500.0935 0.0000 0.0000 51892.4128 -109962.1380 298.2264 -161854.5509 -109592.9888 298.0018 -190.7492 -165.5172 762911.6523 -19.9836 -19.8175 PRESSURE: 3605800 30.9679 36.6572 -121.626 36.6573 -77.1686 -19.4034 -121.627 -19.4028 224 GPRESSURE: 3605800 105.895 43.9506 9.52398 75.3151 -124.233 -147.879 -91.7065 -79.5227 290.318 PRESSAVG: 3605800 -8.15712 14.125 20.7827 14.125 -16.1527 -3.94409 20.7826 -3.94409 -4.45816 GPRESSAVG: 3605800 -7.74748 14.6985 19.6533 11.7783 -15.4362 -4.07632 23.3785 -5.13364 -5.66678 TIMING: 3605800 CPU: 11396.9, 0.00322452/step Wall: 11396.9, 0.00322453/step, 1.24879 hours remaining, 239.328125 MB of memory in use. ENERGY: 3605800 3961.4463 20332.6899 14420.0498 236.5677 -202985.8793 2113.0383 0.0000 0.0000 52022.5561 -109899.5313 298.9743 -161922.0873 -109534.8643 298.1546 59.2664 90.6603 762199.7785 -9.5893 -9.6168 PRESSURE: 3606000 412.484 174.293 98.2778 174.293 254.38 -19.0668 98.2777 -19.0663 -16.1369 GPRESSURE: 3606000 427.013 111.105 96.0507 49.405 304.416 -17.199 118.436 -6.60238 6.47877 PRESSAVG: 3606000 -5.73674 -25.9352 31.6034 -25.9352 -1.31443 -5.24089 31.6034 -5.24091 22.5961 GPRESSAVG: 3606000 -7.05938 -27.0545 32.4204 -24.5521 -0.481989 -5.64304 30.7589 -4.87825 23.387 TIMING: 3606000 CPU: 11397.5, 0.00323496/step Wall: 11397.5, 0.00323496/step, 1.25265 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3606000 3968.1977 20551.0622 14501.5216 236.7071 -203427.3275 2684.6663 0.0000 0.0000 51929.5804 -109555.5921 298.4400 -161485.1726 -109198.3523 299.5003 216.9089 245.9693 759552.5174 5.1816 5.2819 PRESSURE: 3606200 -268.821 132.87 -65.5004 132.87 116.185 18.5605 -65.4997 18.5602 -333.527 GPRESSURE: 3606200 -114.835 169.681 -86.9601 81.8856 42.3831 19.2881 -17.2403 -8.58713 -322.333 PRESSAVG: 3606200 -20.0779 36.3555 -14.552 36.3555 -19.2209 24.8808 -14.552 24.8809 -3.25402 GPRESSAVG: 3606200 -17.9164 36.7654 -15.3701 37.6659 -21.9603 26.8371 -13.2145 27.2639 -2.67959 TIMING: 3606200 CPU: 11398.2, 0.0032286/step Wall: 11398.2, 0.0032286/step, 1.25 hours remaining, 239.328125 MB of memory in use. ENERGY: 3606200 3967.5470 20512.5154 14448.0737 266.2677 -203539.2121 2518.5524 0.0000 0.0000 52367.8784 -109458.3775 300.9589 -161826.2559 -109083.2144 299.0143 -162.0540 -131.5950 760897.2705 -14.1843 -14.1854 PRESSURE: 3606400 24.843 -194.965 101.991 -194.964 -62.5113 -135.605 101.991 -135.604 49.5924 GPRESSURE: 3606400 -2.64005 -51.3632 154.293 -262.359 -16.6994 -112.279 69.7255 -14.1109 107.929 PRESSAVG: 3606400 -23.8235 -17.594 -35.5798 -17.5941 29.8289 41.4567 -35.5798 41.4568 -29.6262 GPRESSAVG: 3606400 -25.0932 -16.7544 -35.1367 -17.8417 32.1126 41.7876 -36.3197 37.3614 -31.1452 TIMING: 3606400 CPU: 11398.8, 0.00320838/step Wall: 11398.8, 0.00320839/step, 1.242 hours remaining, 239.328125 MB of memory in use. ENERGY: 3606400 4046.2813 20532.2701 14515.6794 244.6290 -203305.2053 2449.6669 0.0000 0.0000 52165.5588 -109351.1198 299.7962 -161516.6786 -108988.9740 299.8059 3.9747 29.5298 760389.4150 -7.8736 -8.0419 PRESSURE: 3606600 106.87 21.7388 255.42 21.7385 29.2061 -203.396 255.42 -203.395 136.827 GPRESSURE: 3606600 126.453 76.62 280.272 94.5563 75.0253 -78.2979 151.093 -154.636 159.03 PRESSAVG: 3606600 26.0438 25.3568 27.2698 25.3568 26.9781 5.44167 27.2698 5.4416 -0.510241 GPRESSAVG: 3606600 26.3976 24.1486 27.1189 25.6046 27.2684 4.42201 27.0026 9.28802 -1.16419 TIMING: 3606600 CPU: 11399.5, 0.00322583/step Wall: 11399.5, 0.00322583/step, 1.24858 hours remaining, 239.328125 MB of memory in use. ENERGY: 3606600 3890.3986 20578.0160 14444.3334 257.2455 -202919.1575 2328.2352 0.0000 0.0000 52019.2359 -109401.6929 298.9553 -161420.9288 -109036.9250 300.0422 90.9676 120.1696 761956.3922 17.5039 17.5006 PRESSURE: 3606800 -188.694 215.632 216.838 215.632 -364.069 7.56233 216.837 7.56031 -602.612 GPRESSURE: 3606800 -203.871 100.15 245.915 254.141 -308.006 35.305 172.347 -9.07609 -581.316 PRESSAVG: 3606800 -12.0362 50.1964 -6.03014 50.1964 -33.0396 -19.6847 -6.03021 -19.6847 4.51606 GPRESSAVG: 3606800 -11.8236 48.2772 -7.14799 50.5239 -33.6618 -18.909 -5.10163 -21.883 5.12432 TIMING: 3606800 CPU: 11400.1, 0.00318068/step Wall: 11400.1, 0.00318068/step, 1.23092 hours remaining, 239.328125 MB of memory in use. ENERGY: 3606800 4131.3580 20533.1949 14448.5139 263.2773 -202725.1190 2127.2743 0.0000 0.0000 51828.1521 -109393.3483 297.8571 -161221.5004 -109043.0647 299.4681 -385.1250 -364.3977 761148.0050 -13.5199 -13.4537 PRESSURE: 3607000 -314.756 10.3541 -62.7911 10.3549 -188.186 -2.41733 -62.7908 -2.41609 -406.837 GPRESSURE: 3607000 -283.934 37.2276 -72.3432 48.3587 -154.459 -99.1798 -43.3678 -6.66793 -396.475 PRESSAVG: 3607000 -20.7647 45.148 -1.3108 45.148 10.3437 -3.63179 -1.31076 -3.63181 -40.1153 GPRESSAVG: 3607000 -20.3051 45.8775 2.13074 42.9795 10.8323 -3.39277 -2.39736 -3.13589 -41.415 TIMING: 3607000 CPU: 11400.7, 0.00319802/step Wall: 11400.7, 0.00319802/step, 1.23746 hours remaining, 239.328125 MB of memory in use. ENERGY: 3607000 4053.7142 20543.7197 14438.8109 237.1128 -202956.5477 2321.8829 0.0000 0.0000 52187.2136 -109174.0936 299.9206 -161361.3072 -108811.7544 300.0574 -303.2598 -278.2892 762873.8989 -16.8454 -16.9626 PRESSURE: 3607200 18.5061 -49.6135 -285.503 -49.6144 234.723 251.081 -285.503 251.08 266.549 GPRESSURE: 3607200 26.2578 -99.4956 -336.092 -94.8492 213.016 166.932 -195.601 266.804 373.46 PRESSAVG: 3607200 32.1806 48.6088 -29.2859 48.6088 -17.5108 -5.37633 -29.286 -5.37632 5.97781 GPRESSAVG: 3607200 29.5134 50.0107 -30.8978 52.088 -17.3847 -7.34765 -28.1017 -5.45794 8.81181 TIMING: 3607200 CPU: 11401.4, 0.0032016/step Wall: 11401.4, 0.0032016/step, 1.23866 hours remaining, 239.328125 MB of memory in use. ENERGY: 3607200 4020.7581 20517.2517 14442.9745 234.2395 -202939.5870 2316.6073 0.0000 0.0000 52166.1303 -109241.6257 299.7995 -161407.7560 -108874.7624 299.8947 173.2594 204.2446 761963.9911 6.8825 6.9802 PRESSURE: 3607400 -161.059 -72.8484 185.298 -72.8489 -53.4299 168.113 185.298 168.113 250.763 GPRESSURE: 3607400 -32.1231 -57.0332 90.6044 -41.4772 -35.1461 42.983 145.049 205.993 206.987 PRESSAVG: 3607400 10.9793 49.7147 48.1498 49.7147 -6.70077 -30.4693 48.1499 -30.4693 -4.96757 GPRESSAVG: 3607400 13.6568 49.4655 47.6203 48.2297 -8.00962 -28.7945 48.9943 -29.5126 -6.28573 TIMING: 3607400 CPU: 11402, 0.00318938/step Wall: 11402, 0.00318938/step, 1.23376 hours remaining, 239.328125 MB of memory in use. ENERGY: 3607400 3986.2768 20617.3995 14486.3354 240.8751 -203322.2740 2575.5350 0.0000 0.0000 52267.6039 -109148.2484 300.3826 -161415.8523 -108781.8532 300.0929 12.0913 46.5726 760405.1382 -0.2297 -0.2129 PRESSURE: 3607600 308.427 64.1998 -129.533 64.2005 86.5906 -99.6576 -129.533 -99.6578 122.437 GPRESSURE: 3607600 270.575 -12.0271 -151.11 59.3073 164.758 -200.733 -83.6251 28.2202 160.824 PRESSAVG: 3607600 -41.3522 6.25063 3.55166 6.25066 29.0743 12.4492 3.55161 12.4492 -8.7018 GPRESSAVG: 3607600 -43.1486 5.64074 3.5976 5.51007 30.0395 12.9364 3.66491 13.6288 -8.25446 TIMING: 3607600 CPU: 11402.6, 0.00316398/step Wall: 11402.6, 0.00316398/step, 1.22376 hours remaining, 239.328125 MB of memory in use. ENERGY: 3607600 3953.1419 20490.4340 14455.7154 255.1878 -203507.3042 2714.3765 0.0000 0.0000 52345.2604 -109293.1882 300.8289 -161638.4487 -108934.8781 299.8850 172.4849 198.7190 760782.6217 -6.9932 -7.1212 PRESSURE: 3607800 -434.468 101.045 -137.7 101.045 -98.7481 58.4 -137.7 58.3997 147.701 GPRESSURE: 3607800 -369.975 7.5032 -73.4269 109.391 -134.019 97.7889 -124.855 17.8191 179.96 PRESSAVG: 3607800 -3.5777 -47.4827 -51.593 -47.4828 5.16595 -17.4911 -51.5931 -17.4911 0.17579 GPRESSAVG: 3607800 -3.19357 -48.4703 -51.3989 -46.8273 5.76641 -17.165 -51.9778 -18.962 -0.809612 TIMING: 3607800 CPU: 11403.3, 0.00318112/step Wall: 11403.3, 0.00318112/step, 1.23021 hours remaining, 239.328125 MB of memory in use. ENERGY: 3607800 3900.8803 20611.7413 14366.4930 225.6813 -202968.2235 2088.5926 0.0000 0.0000 52494.6825 -109280.1525 301.6877 -161774.8350 -108907.2521 300.1385 -128.5051 -108.0111 763191.4502 0.5880 0.5877 PRESSURE: 3608000 266.213 5.52927 -150.546 5.52895 460.023 -353.992 -150.545 -353.993 243.905 GPRESSURE: 3608000 357.634 74.1521 -113.07 7.96461 468.459 -243.971 -150.379 -185.106 209.213 PRESSAVG: 3608000 -2.48793 -24.7039 -16.527 -24.704 41.4503 -17.8982 -16.527 -17.8981 17.6588 GPRESSAVG: 3608000 -3.5578 -22.3438 -16.514 -24.3763 41.9813 -18.9524 -18.4206 -18.4145 18.0381 TIMING: 3608000 CPU: 11403.9, 0.00315025/step Wall: 11403.9, 0.00315025/step, 1.2181 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3608000 3969.7134 20499.4734 14524.6144 242.1234 -203353.1490 2786.2464 0.0000 0.0000 51920.0950 -109410.8829 298.3855 -161330.9780 -109043.9715 299.5216 323.3805 345.1019 761036.2644 18.8737 18.8206 PRESSURE: 3608200 -136.459 124.832 -132.42 124.833 -253.91 47.8756 -132.42 47.8747 -366.908 GPRESSURE: 3608200 -103.664 68.0133 -169.17 111.302 -273.153 51.5533 -62.9983 -9.21085 -312.628 PRESSAVG: 3608200 4.98097 -23.8038 -8.20935 -23.8038 34.6515 8.20237 -8.20929 8.2023 -17.3789 GPRESSAVG: 3608200 6.714 -23.7171 -8.65383 -24.337 33.7507 9.70821 -6.83446 7.02158 -18.1804 TIMING: 3608200 CPU: 11404.5, 0.00316169/step Wall: 11404.5, 0.00316169/step, 1.22234 hours remaining, 239.328125 MB of memory in use. ENERGY: 3608200 3965.1232 20830.6676 14459.9055 249.2005 -203152.0248 2334.7134 0.0000 0.0000 51875.8060 -109436.6086 298.1310 -161312.4147 -109070.9015 299.4650 -252.4258 -229.8147 762215.7051 7.4179 7.4281 LDB: ============= START OF LOAD BALANCING ============== 11416.9 LDB: ============== END OF LOAD BALANCING =============== 11416.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11416.9 LDB: ============= START OF LOAD BALANCING ============== 11417.3 LDB: Largest compute 7038 load 0.032692 is 16.7% of average load 0.196115 LDB: Average compute 0.004392 is 2.2% of average load 0.196115 LDB: TIME 11417.3 LOAD: AVG 0.196115 MAX 0.219119 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 11417.3 LOAD: AVG 0.196115 MAX 0.219119 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.43 MB LDB: TIME 11417.3 LOAD: AVG 0.196115 MAX 0.219119 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11417.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11417.3 PRESSURE: 3608400 -320.193 -86.298 -49.7719 -86.2975 -114.236 -27.4495 -49.7719 -27.4506 -176.901 GPRESSURE: 3608400 -209.543 50.475 -115.385 -72.3924 -40.0821 -10.2777 -75.9767 21.2727 -277.57 PRESSAVG: 3608400 24.3622 -40.9841 -47.0189 -40.9841 40.6168 36.0618 -47.0189 36.0619 7.4049 GPRESSAVG: 3608400 25.0484 -42.5474 -45.9962 -39.1893 39.8299 36.1603 -46.3068 36.4305 7.6541 TIMING: 3608400 CPU: 11405.2, 0.00324696/step Wall: 11405.2, 0.00324696/step, 1.25513 hours remaining, 238.613281 MB of memory in use. ENERGY: 3608400 4069.8778 20597.6521 14467.6220 230.3643 -203401.0855 2542.9070 0.0000 0.0000 52106.3405 -109386.3218 299.4559 -161492.6623 -109018.4753 299.4558 -203.7767 -175.7315 762057.7656 24.1280 24.1775 PRESSURE: 3608600 -124.176 -78.7051 -114.525 -78.7054 -388.773 92.4347 -114.525 92.4352 -399.197 GPRESSURE: 3608600 18.0613 -134.645 -69.6871 -78.4501 -414.817 -6.40278 -139.71 235.022 -407.607 PRESSAVG: 3608600 -34.9454 -14.8226 -32.9251 -14.8226 16.8772 26.8572 -32.9251 26.8573 21.0966 GPRESSAVG: 3608600 -36.5916 -12.4329 -36.5752 -14.4004 17.6748 26.6352 -31.6407 28.3265 21.4414 TIMING: 3608600 CPU: 11405.8, 0.00316689/step Wall: 11405.8, 0.00316689/step, 1.224 hours remaining, 238.613281 MB of memory in use. ENERGY: 3608600 4109.1832 20539.0576 14415.3211 242.4014 -203243.9688 2287.8036 0.0000 0.0000 52200.6282 -109449.5738 299.9977 -161650.2020 -109087.7294 299.5071 -304.0484 -268.1208 761581.4135 1.0095 0.8415 PRESSURE: 3608800 -211.658 47.835 116.553 47.8341 184.93 240.823 116.552 240.823 -173.089 GPRESSURE: 3608800 -62.2328 23.5846 13.5864 63.7726 132.571 275.166 159.667 123.914 -203.149 PRESSAVG: 3608800 -13.6261 -14.1693 -3.50491 -14.1693 12.1897 45.0086 -3.50485 45.0086 -4.2881 GPRESSAVG: 3608800 -13.6555 -14.6578 -1.05092 -14.2064 12.4854 43.5222 -5.87804 46.6867 -4.56428 TIMING: 3608800 CPU: 11406.4, 0.00313595/step Wall: 11406.4, 0.00313595/step, 1.21187 hours remaining, 238.613281 MB of memory in use. ENERGY: 3608800 4063.5897 20466.3263 14429.8472 269.9756 -203573.1534 2952.9056 0.0000 0.0000 52076.2676 -109314.2414 299.2830 -161390.5090 -108945.9403 299.5512 -66.6055 -44.2702 762617.7046 -1.9082 -1.9115 PRESSURE: 3609000 -174.08 -17.9322 -54.8901 -17.9334 -0.858893 75.209 -54.8892 75.2096 -323.185 GPRESSURE: 3609000 -78.9558 -66.376 -115.217 18.4479 -7.3424 121.427 9.98572 21.7299 -316.297 PRESSAVG: 3609000 -33.4602 -34.284 6.12854 -34.284 6.92531 -2.98389 6.12861 -2.98389 1.56217 GPRESSAVG: 3609000 -32.456 -33.6699 6.07867 -36.7489 5.67414 -3.86258 7.26171 -4.03287 1.75658 TIMING: 3609000 CPU: 11407.1, 0.00317406/step Wall: 11407.1, 0.00317406/step, 1.22642 hours remaining, 238.613281 MB of memory in use. ENERGY: 3609000 3990.1733 20426.5423 14471.3754 259.7167 -203282.3245 2586.5018 0.0000 0.0000 52187.4684 -109360.5466 299.9221 -161548.0149 -108982.4482 299.1269 -166.0415 -134.1985 761119.5483 -8.3242 -8.3418 PRESSURE: 3609200 465.45 -150.965 -109.704 -150.965 216.093 193.572 -109.704 193.572 109.404 GPRESSURE: 3609200 504.161 -47.4331 -76.8692 -115.822 298.887 129.775 -28.2647 198.172 84.1257 PRESSAVG: 3609200 10.5807 5.4441 -0.156038 5.44415 -27.3586 43.8855 -0.156085 43.8855 -28.2839 GPRESSAVG: 3609200 9.05027 3.9986 0.39986 6.74714 -26.3206 44.4023 -0.89187 44.8629 -27.8133 TIMING: 3609200 CPU: 11407.7, 0.00319702/step Wall: 11407.7, 0.00319702/step, 1.23512 hours remaining, 238.613281 MB of memory in use. ENERGY: 3609200 3960.0215 20566.9121 14424.5076 226.9288 -203640.9101 2951.2876 0.0000 0.0000 52093.0296 -109418.2231 299.3794 -161511.2526 -109055.3196 299.5556 263.6488 295.7246 758849.4707 -15.0206 -15.0279 PRESSURE: 3609400 131.033 169.33 -140.994 169.331 60.587 109.83 -140.994 109.831 -185.393 GPRESSURE: 3609400 29.8236 273.882 -134.223 34.373 83.7786 93.735 -185.096 282.228 -56.255 PRESSAVG: 3609400 1.25145 -30.8436 -13.0396 -30.8436 -29.433 54.7779 -13.0397 54.7779 -0.657455 GPRESSAVG: 3609400 1.02865 -31.3238 -13.1513 -31.4342 -28.9643 55.0992 -12.0609 53.4672 -1.20782 TIMING: 3609400 CPU: 11408.4, 0.00316982/step Wall: 11408.4, 0.00316982/step, 1.22443 hours remaining, 238.613281 MB of memory in use. ENERGY: 3609400 3988.2078 20593.0391 14443.5498 257.5184 -203303.2374 2505.7709 0.0000 0.0000 52075.7740 -109439.3775 299.2802 -161515.1515 -109069.6376 299.3981 2.0756 19.1157 760107.1332 -9.6130 -9.7145 PRESSURE: 3609600 286.331 141.884 99.8115 141.885 63.0964 99.0708 99.8119 99.0696 37.4894 GPRESSURE: 3609600 259.468 95.4934 186.967 201.576 102.959 53.6759 126.001 131.982 108.563 PRESSAVG: 3609600 -3.8488 -4.29753 -24.0187 -4.29759 35.4164 46.1887 -24.0187 46.1887 17.2564 GPRESSAVG: 3609600 -5.61539 -2.55817 -23.3242 -5.08212 35.6112 46.8671 -25.4689 45.4777 18.1611 TIMING: 3609600 CPU: 11409, 0.00316776/step Wall: 11409, 0.00316775/step, 1.22346 hours remaining, 238.613281 MB of memory in use. ENERGY: 3609600 3986.7742 20699.5546 14403.7603 269.3251 -203274.5129 2583.1279 0.0000 0.0000 51974.3119 -109357.6588 298.6971 -161331.9707 -109003.9750 299.7751 128.9722 156.9966 760723.3125 16.2747 16.0523 PRESSURE: 3609800 -102.167 -38.1685 -351.835 -38.1695 -411.789 -11.3762 -351.834 -11.3768 -254.888 GPRESSURE: 3609800 -105.055 -160.196 -332.621 -62.6433 -388.387 94.1329 -170.863 -29.9958 -170.663 PRESSAVG: 3609800 -8.50824 -56.0281 -12.4006 -56.0281 -17.005 39.358 -12.4005 39.3579 -6.54849 GPRESSAVG: 3609800 -7.70147 -56.5674 -13.9684 -54.7169 -17.0546 39.2721 -11.245 41.7013 -6.53888 TIMING: 3609800 CPU: 11409.6, 0.00318054/step Wall: 11409.6, 0.00318054/step, 1.22822 hours remaining, 238.613281 MB of memory in use. ENERGY: 3609800 4021.3466 20493.2197 14376.0276 256.9831 -202889.6444 2337.9741 0.0000 0.0000 52187.6003 -109216.4929 299.9229 -161404.0932 -108862.2918 299.7054 -256.2814 -221.3684 762405.6866 -10.6873 -10.4317 PRESSURE: 3610000 -141.171 16.1252 -10.7608 16.1246 141.792 -51.5455 -10.7609 -51.5464 -47.9983 GPRESSURE: 3610000 -34.2729 -30.8236 -55.4849 109.605 85.004 14.4496 31.0168 -57.1967 -16.7347 PRESSAVG: 3610000 -80.4335 43.476 -3.94711 43.4758 74.8849 47.1004 -3.94715 47.1004 -4.51506 GPRESSAVG: 3610000 -79.1894 45.9509 -2.90971 42.1722 73.6103 47.6485 -5.10705 43.8869 -4.63521 TIMING: 3610000 CPU: 11410.3, 0.00314666/step Wall: 11410.3, 0.00314666/step, 1.21496 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3610000 4009.1998 20579.6830 14421.5905 268.0868 -203279.7591 2691.8569 0.0000 0.0000 52024.3177 -109285.0244 298.9845 -161309.3422 -108924.0887 300.4430 -15.7926 11.3321 760537.3613 -3.3546 -3.4047 PRESSURE: 3610200 -20.7538 169.943 83.5352 169.944 201.276 -168.297 83.5351 -168.297 -251.079 GPRESSURE: 3610200 -30.4754 136.273 30.8533 57.8968 223.79 -126.669 -67.7903 -172.655 -160.021 PRESSAVG: 3610200 -22.045 1.56494 -14.1675 1.5649 -2.03236 -16.9247 -14.1674 -16.9247 13.1101 GPRESSAVG: 3610200 -21.2596 -0.404813 -14.6036 2.78069 -1.15169 -15.2443 -12.0675 -16.4331 11.1038 TIMING: 3610200 CPU: 11410.9, 0.00317473/step Wall: 11410.9, 0.00317473/step, 1.22562 hours remaining, 238.613281 MB of memory in use. ENERGY: 3610200 3945.9561 20506.4044 14489.4362 248.4189 -203524.3069 2604.7207 0.0000 0.0000 52369.1119 -109360.2587 300.9660 -161729.3706 -109002.3338 299.6092 -23.5191 11.0980 760435.4064 -3.6558 -3.7691 PRESSURE: 3610400 -301.34 136.629 85.5112 136.629 -158.616 -365.622 85.5112 -365.623 -26.7255 GPRESSURE: 3610400 -306.234 33.9361 72.7329 211.385 -96.3511 -355.584 93.982 -431.264 12.4841 PRESSAVG: 3610400 5.44728 23.3094 -10.0872 23.3093 17.4472 -44.7842 -10.0872 -44.7842 16.4959 GPRESSAVG: 3610400 3.28911 24.7304 -8.16799 20.7197 17.7699 -48.3247 -11.0843 -43.3233 18.4038 TIMING: 3610400 CPU: 11411.5, 0.00319155/step Wall: 11411.5, 0.00319155/step, 1.23194 hours remaining, 238.613281 MB of memory in use. ENERGY: 3610400 3970.6533 20405.6468 14427.9989 232.3289 -203033.4083 2400.9388 0.0000 0.0000 52219.1314 -109376.7103 300.1041 -161595.8417 -109012.4954 299.4928 -162.2273 -130.0335 762239.6445 13.1302 13.1543 PRESSURE: 3610600 -246.555 83.1231 92.363 83.1225 29.894 46.2281 92.363 46.2273 140.201 GPRESSURE: 3610600 -238.958 -40.1638 94.0594 48.5422 69.2773 42.6543 59.6596 131.947 195.634 PRESSAVG: 3610600 -13.6477 -28.2899 -12.2498 -28.2899 35.2888 17.4173 -12.2497 17.4172 -20.5466 GPRESSAVG: 3610600 -13.1743 -30.1995 -12.7688 -24.1325 35.3171 18.5158 -12.7673 15.9829 -21.0557 TIMING: 3610600 CPU: 11412.2, 0.00317811/step Wall: 11412.2, 0.00317811/step, 1.22657 hours remaining, 238.613281 MB of memory in use. ENERGY: 3610600 4020.8979 20610.2618 14424.0577 246.2921 -203749.3458 2887.0006 0.0000 0.0000 52133.2048 -109427.6309 299.6102 -161560.8357 -109053.0774 299.3390 -25.4868 8.6512 761855.5032 0.3648 0.3624 PRESSURE: 3610800 121.278 -143.539 106.636 -143.539 15.3503 39.1703 106.636 39.1699 412.68 GPRESSURE: 3610800 169.421 -127.135 156.381 -106.079 96.8123 57.4476 -12.861 0.775058 361.25 PRESSAVG: 3610800 21.1332 -37.7158 44.0556 -37.7158 -1.47686 53.1141 44.0556 53.1141 -5.67401 GPRESSAVG: 3610800 20.8473 -37.2237 43.9636 -40.7587 -1.32636 52.3114 42.1152 53.7107 -5.28765 TIMING: 3610800 CPU: 11412.8, 0.00316072/step Wall: 11412.8, 0.00316072/step, 1.21969 hours remaining, 238.613281 MB of memory in use. ENERGY: 3610800 4003.0543 20619.2766 14488.4402 248.8029 -203676.3117 2783.8397 0.0000 0.0000 52057.4251 -109475.4729 299.1747 -161532.8980 -109108.6116 299.5386 183.1030 209.1609 763205.8996 4.6608 4.7444 PRESSURE: 3611000 -117.003 -33.0214 -7.02023 -33.0212 -76.4694 -398.818 -7.01922 -398.818 -560.582 GPRESSURE: 3611000 -13.8549 -60.0165 -103.922 -0.100686 -183.864 -379.754 130.796 -302.523 -486.049 PRESSAVG: 3611000 -15.1744 -10.007 14.9367 -10.007 -4.92887 -5.93234 14.9367 -5.93227 29.4225 GPRESSAVG: 3611000 -13.5131 -10.757 14.2729 -8.24198 -5.80106 -5.05242 14.9001 -6.01254 28.8618 TIMING: 3611000 CPU: 11413.4, 0.00322742/step Wall: 11413.4, 0.00322742/step, 1.24524 hours remaining, 238.613281 MB of memory in use. ENERGY: 3611000 4004.7812 20759.4370 14513.8306 255.6081 -203686.0280 2752.1610 0.0000 0.0000 51804.5481 -109595.6620 297.7215 -161400.2101 -109232.0755 299.4260 -251.3515 -227.9227 759570.0912 3.1064 3.1825 PRESSURE: 3611200 -322.925 -64.2123 -84.8669 -64.2118 -141.557 -105.314 -84.866 -105.314 234.134 GPRESSURE: 3611200 -315.36 -32.9511 -84.1992 -88.313 -95.3867 -101.675 47.5239 -136.676 254.153 PRESSAVG: 3611200 38.2769 40.4368 14.0304 40.4368 -28.433 -19.0608 14.0304 -19.0607 -12.3369 GPRESSAVG: 3611200 36.9495 40.0019 13.9182 39.2354 -27.7302 -21.6963 16.7465 -19.3445 -11.8104 TIMING: 3611200 CPU: 11414.1, 0.0032646/step Wall: 11414.1, 0.0032646/step, 1.25941 hours remaining, 238.613281 MB of memory in use. ENERGY: 3611200 3965.6829 20634.5522 14478.0060 233.2286 -203712.6512 2652.3441 0.0000 0.0000 52285.0854 -109463.7521 300.4831 -161748.8375 -109097.4225 299.3846 -76.7828 -52.1977 760473.3316 -0.8310 -0.8637 PRESSURE: 3611400 146.917 79.9279 -41.3091 79.9278 289.621 -80.8153 -41.3098 -80.815 252.787 GPRESSURE: 3611400 170.525 61.3443 -121.657 45.9625 368.988 -85.4993 -92.4388 -65.9625 249.552 PRESSAVG: 3611400 -33.1877 34.8004 57.7349 34.8004 8.52356 -19.6756 57.7349 -19.6757 -10.6646 GPRESSAVG: 3611400 -32.592 34.8893 58.127 35.1524 8.07004 -17.1386 56.9351 -18.5173 -11.021 TIMING: 3611400 CPU: 11414.7, 0.00327115/step Wall: 11414.7, 0.00327115/step, 1.26176 hours remaining, 238.613281 MB of memory in use. ENERGY: 3611400 4010.5913 20460.7398 14508.5690 244.0210 -203589.5761 2762.4673 0.0000 0.0000 52060.0168 -109543.1708 299.1896 -161603.1876 -109187.9524 299.3279 229.7751 263.0220 761652.2484 -11.7762 -11.8477 PRESSURE: 3611600 62.9377 217.796 67.1701 217.796 -211.313 106.11 67.1702 106.111 -56.931 GPRESSURE: 3611600 61.9025 145.063 -23.4426 71.681 -168.314 114.097 145.501 3.10689 -11.9029 PRESSAVG: 3611600 0.129725 19.0447 -5.89499 19.0448 -27.9426 16.196 -5.89498 16.196 -8.90463 GPRESSAVG: 3611600 -2.04215 19.6017 -6.26561 19.6525 -28.3915 15.5898 -5.95458 14.7514 -6.60451 TIMING: 3611600 CPU: 11415.4, 0.00321453/step Wall: 11415.4, 0.00321453/step, 1.23974 hours remaining, 238.613281 MB of memory in use. ENERGY: 3611600 4025.7093 20320.3554 14574.8032 246.9085 -203599.1756 2640.0188 0.0000 0.0000 52025.7633 -109765.6172 298.9928 -161791.3804 -109412.6724 298.4595 -68.4353 -39.4382 762288.5996 -12.2392 -12.3461 PRESSURE: 3611800 -358.43 261.73 89.6057 261.73 -14.8618 -92.4983 89.6057 -92.4988 -352.895 GPRESSURE: 3611800 -319.705 199.569 107.401 184.365 54.1549 -87.4022 116.963 71.1098 -362.557 PRESSAVG: 3611800 -35.7143 17.8948 -17.4789 17.8948 16.2239 41.8457 -17.479 41.8456 28.664 GPRESSAVG: 3611800 -34.956 15.3985 -16.0331 17.832 17.1605 42.6417 -16.2169 42.4483 26.3354 TIMING: 3611800 CPU: 11416, 0.00318221/step Wall: 11416, 0.00318221/step, 1.2271 hours remaining, 238.613281 MB of memory in use. ENERGY: 3611800 3942.7281 20370.1159 14513.8323 248.2441 -203291.2286 2473.5241 0.0000 0.0000 51863.3885 -109879.3956 298.0596 -161742.7840 -109504.1146 298.2892 -242.0622 -209.3690 762148.5005 3.0578 2.8466 PRESSURE: 3612000 -141.005 -20.4171 -17.8371 -20.4165 -133.465 -139.184 -17.8377 -139.185 281.169 GPRESSURE: 3612000 -79.9845 -57.9903 -23.8847 2.11408 -107.708 -69.8191 -53.6883 -147.233 296.21 PRESSAVG: 3612000 20.6786 23.9838 5.1725 23.9838 -6.81199 43.706 5.17248 43.7061 -3.4925 GPRESSAVG: 3612000 21.1707 26.7607 4.57118 21.8102 -8.80241 43.047 5.06566 42.6127 -2.56562 TIMING: 3612000 CPU: 11416.7, 0.00321181/step Wall: 11416.7, 0.00321181/step, 1.23833 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3612000 3913.2984 20376.5665 14413.8925 283.4428 -203128.3199 2427.8763 0.0000 0.0000 52049.2425 -109664.0008 299.1277 -161713.2433 -109304.7989 298.3368 2.2327 36.1725 763163.2696 3.4580 3.2675 PRESSURE: 3612200 -73.4511 -157.308 168.931 -157.308 125.114 217.917 168.929 217.917 -79.9802 GPRESSURE: 3612200 -4.18268 -69.3684 218.245 -52.2158 125.537 257.949 140.295 78.5661 -59.4647 PRESSAVG: 3612200 7.56576 16.4302 46.3997 16.4302 14.8591 3.93204 46.3997 3.93193 7.58586 GPRESSAVG: 3612200 7.22709 16.0286 47.5077 18.9519 15.6505 3.70722 45.1327 4.50259 7.10609 TIMING: 3612200 CPU: 11417.3, 0.00319825/step Wall: 11417.3, 0.00319825/step, 1.23292 hours remaining, 238.613281 MB of memory in use. ENERGY: 3612200 4049.6025 20491.1141 14480.0511 262.0770 -203902.6518 2899.7379 0.0000 0.0000 51851.7572 -109868.3119 297.9928 -161720.0692 -109520.9805 298.7652 -9.4389 20.6298 761904.8250 10.0036 9.9946 LDB: ============= START OF LOAD BALANCING ============== 11429.7 LDB: ============== END OF LOAD BALANCING =============== 11429.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11429.7 LDB: ============= START OF LOAD BALANCING ============== 11430 LDB: Largest compute 7033 load 0.032715 is 16.7% of average load 0.196041 LDB: Average compute 0.004390 is 2.2% of average load 0.196041 LDB: TIME 11430 LOAD: AVG 0.196041 MAX 0.219895 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 11430 LOAD: AVG 0.196041 MAX 0.219895 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 11430 LOAD: AVG 0.196041 MAX 0.219895 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11430 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11430 PRESSURE: 3612400 -172.074 157.262 39.6118 157.261 259.115 131.878 39.6116 131.878 -365.618 GPRESSURE: 3612400 -150.122 170.354 -0.939891 268.215 256.464 145.237 -30.3933 139.642 -313.376 PRESSAVG: 3612400 -21.0765 49.735 30.1082 49.735 51.1303 14.0149 30.1082 14.0149 -1.96263 GPRESSAVG: 3612400 -20.0443 48.1477 29.231 47.639 50.7592 12.4338 30.6855 14.756 -2.53655 TIMING: 3612400 CPU: 11418, 0.00326262/step Wall: 11418, 0.00326262/step, 1.25756 hours remaining, 238.867188 MB of memory in use. ENERGY: 3612400 3936.4540 20438.0240 14473.0049 259.8513 -203473.4644 2608.3636 0.0000 0.0000 51890.2708 -109867.4957 298.2141 -161757.7666 -109501.0932 298.5623 -92.8590 -69.0111 760879.4793 9.3637 9.3928 PRESSURE: 3612600 -202.831 60.4815 10.7923 60.4818 -80.1193 66.6297 10.7927 66.6299 -413.251 GPRESSURE: 3612600 -156.077 136.522 16.593 23.8829 2.29672 78.713 38.6982 74.7958 -451.487 PRESSAVG: 3612600 35.6978 -0.76448 -8.6723 -0.764524 -46.6204 7.16255 -8.67225 7.16259 1.83855 GPRESSAVG: 3612600 35.3549 0.0484053 -10.22 -0.00786053 -46.1029 9.08164 -7.75211 5.21903 1.66591 TIMING: 3612600 CPU: 11418.6, 0.00315073/step Wall: 11418.6, 0.00315073/step, 1.21426 hours remaining, 238.867188 MB of memory in use. ENERGY: 3612600 4039.8184 20353.2353 14423.5803 258.4208 -203256.4912 2432.7681 0.0000 0.0000 51796.5642 -109952.1039 297.6756 -161748.6681 -109594.8995 298.3274 -232.0669 -201.7557 759203.2240 -3.0280 -3.0274 PRESSURE: 3612800 -205.191 -86.4512 -201.801 -86.4514 49.5468 -93.2197 -201.8 -93.2203 -19.2874 GPRESSURE: 3612800 -101.229 -52.5235 -222.328 37.7602 25.8954 -25.0737 -181.167 96.1265 -16.7847 PRESSAVG: 3612800 39.7465 41.5483 -39.235 41.5483 -1.69814 -16.2794 -39.235 -16.2794 -5.88834 GPRESSAVG: 3612800 38.6328 40.8839 -37.8332 44.4759 -1.13976 -16.4361 -40.1216 -15.4497 -5.57095 TIMING: 3612800 CPU: 11419.2, 0.00316504/step Wall: 11419.2, 0.00316504/step, 1.21959 hours remaining, 238.867188 MB of memory in use. ENERGY: 3612800 4060.0591 20502.1299 14396.4618 246.2380 -203718.0046 2616.7221 0.0000 0.0000 51885.3418 -110011.0519 298.1858 -161896.3937 -109651.2478 298.3195 -58.3104 -30.7062 758700.8815 10.7200 10.6407 PRESSURE: 3613000 -1.61246 -193.006 18.8249 -193.006 15.0834 5.79986 18.8248 5.80098 242.848 GPRESSURE: 3613000 60.8727 -187.678 53.6669 -131.957 52.8805 -9.87759 81.8166 -69.3326 236.35 PRESSAVG: 3613000 12.2788 -49.8484 -31.8846 -49.8485 -33.6683 33.3527 -31.8846 33.3527 -15.0106 GPRESSAVG: 3613000 14.0816 -47.7681 -30.762 -50.9271 -35.708 34.6286 -30.9802 31.6419 -14.8979 TIMING: 3613000 CPU: 11419.9, 0.00318203/step Wall: 11419.9, 0.00318203/step, 1.22597 hours remaining, 238.867188 MB of memory in use. ENERGY: 3613000 3978.7781 20442.4942 14467.7845 251.3129 -204032.4244 2789.5639 0.0000 0.0000 52240.2957 -109862.1950 300.2257 -162102.4908 -109497.2034 298.8420 85.4396 116.7012 759159.7287 -12.1334 -12.1747 PRESSURE: 3613200 37.893 -40.0342 281.447 -40.0343 -234.892 4.96017 281.447 4.95952 -124.393 GPRESSURE: 3613200 25.4401 -105.408 226.132 -51.7876 -128.117 36.6031 123.382 -15.0121 -132.506 PRESSAVG: 3613200 -14.1853 -33.4152 8.41827 -33.4152 -20.0559 19.5376 8.41827 19.5376 10.381 GPRESSAVG: 3613200 -14.04 -34.3996 8.39588 -35.3013 -20.4355 18.7918 6.54546 21.2205 10.2314 TIMING: 3613200 CPU: 11420.5, 0.00319217/step Wall: 11420.5, 0.00319217/step, 1.22969 hours remaining, 238.867188 MB of memory in use. ENERGY: 3613200 4075.0646 20574.1193 14429.0358 241.9728 -203462.1986 2485.5679 0.0000 0.0000 51987.3583 -109669.0798 298.7721 -161656.4381 -109309.4774 298.6217 -107.1307 -78.3944 760225.4638 -7.9534 -8.0814 PRESSURE: 3613400 -375.962 72.0735 74.531 72.0739 -60.2734 -1.75429 74.532 -1.75536 24.741 GPRESSURE: 3613400 -331.543 97.5892 91.6749 1.6163 -42.0801 31.0386 66.1746 144.579 23.0966 PRESSAVG: 3613400 -25.3344 22.7866 -7.37771 22.7866 1.45919 15.5056 -7.37772 15.5057 -2.99284 GPRESSAVG: 3613400 -25.6788 23.1701 -10.0264 23.2618 2.60431 14.8491 -7.75782 17.2635 -3.66182 TIMING: 3613400 CPU: 11421.1, 0.00319169/step Wall: 11421.1, 0.00319169/step, 1.22933 hours remaining, 238.867188 MB of memory in use. ENERGY: 3613400 3950.6216 20546.8108 14403.2788 224.5759 -203319.0569 2360.3655 0.0000 0.0000 52045.3203 -109788.0842 299.1052 -161833.4044 -109434.0297 298.7093 -137.1648 -116.8421 761404.5814 -8.9560 -8.9121 PRESSURE: 3613600 -64.0109 -219.036 -50.2238 -219.035 -189.477 -6.40974 -50.2246 -6.40929 94.1303 GPRESSURE: 3613600 10.0901 -278.998 -102.627 -344.803 -157.989 -54.3503 -55.2672 -46.5552 89.1752 PRESSAVG: 3613600 -0.691087 8.65991 40.629 8.65997 29.1808 6.71671 40.6291 6.71681 16.1589 GPRESSAVG: 3613600 -2.93036 8.55684 41.1597 8.95141 29.5294 6.25459 42.0996 5.29445 17.6586 TIMING: 3613600 CPU: 11421.8, 0.00319127/step Wall: 11421.8, 0.00319127/step, 1.22899 hours remaining, 238.867188 MB of memory in use. ENERGY: 3613600 4026.3351 20484.5031 14471.8238 247.8677 -203476.4728 2517.7411 0.0000 0.0000 52058.0966 -109670.1055 299.1786 -161728.2021 -109301.3888 298.7738 -53.1193 -19.5744 760402.4524 14.8829 14.7525 PRESSURE: 3613800 -76.839 -110.239 -25.8368 -110.239 69.0873 159.24 -25.8376 159.239 78.5197 GPRESSURE: 3613800 1.87901 -137.074 14.5597 -104.47 93.7791 146.095 87.4279 125.464 64.1536 PRESSAVG: 3613800 51.3742 13.9481 8.92579 13.9481 -18.9901 53.5727 8.92581 53.5726 -3.2278 GPRESSAVG: 3613800 51.2118 13.6658 9.4952 11.4278 -18.599 54.517 9.87125 54.1166 -3.64943 TIMING: 3613800 CPU: 11422.4, 0.00320753/step Wall: 11422.4, 0.00320753/step, 1.23508 hours remaining, 238.867188 MB of memory in use. ENERGY: 3613800 4035.2127 20559.2813 14419.0568 251.6469 -203296.8662 2397.0368 0.0000 0.0000 51991.7139 -109642.9179 298.7971 -161634.6317 -109284.0504 298.7605 23.5893 53.2706 759754.9462 9.7188 9.6545 PRESSURE: 3614000 -188.815 203.591 -132.689 203.592 203.713 -380.143 -132.689 -380.143 -255.578 GPRESSURE: 3614000 -42.04 202.659 -212.459 184.473 189.807 -412.75 -155.64 -400.829 -313.515 PRESSAVG: 3614000 57.0116 1.44511 -23.1072 1.44516 -64.0253 -0.0571094 -23.1072 -0.0571284 29.1238 GPRESSAVG: 3614000 58.4382 1.96173 -21.8366 3.85296 -64.1957 -0.115843 -24.6445 0.0479403 28.1128 TIMING: 3614000 CPU: 11423.1, 0.00320292/step Wall: 11423.1, 0.00320292/step, 1.23313 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3614000 3965.8745 20344.6652 14496.0161 261.1788 -203544.3060 2602.0466 0.0000 0.0000 52160.8100 -109713.7148 299.7689 -161874.5248 -109348.5078 298.6410 -80.2269 -55.2495 761892.5672 7.3700 7.4517 PRESSURE: 3614200 -7.30388 45.48 185.246 45.4796 -18.9815 72.2758 185.246 72.2763 -600.694 GPRESSURE: 3614200 26.922 -33.7187 226.721 -52.898 -10.5171 100.62 161.476 95.4292 -546.015 PRESSAVG: 3614200 5.60668 13.2297 61.2157 13.2297 -5.39158 30.3648 61.2157 30.3648 -10.9632 GPRESSAVG: 3614200 4.91398 12.5509 61.7195 12.6415 -5.4436 30.7798 59.7396 28.9143 -10.2263 TIMING: 3614200 CPU: 11423.7, 0.00318208/step Wall: 11423.7, 0.00318208/step, 1.22492 hours remaining, 238.867188 MB of memory in use. ENERGY: 3614200 3991.0389 20480.2832 14433.7572 257.9210 -203571.2002 2573.2873 0.0000 0.0000 52196.9339 -109637.9787 299.9765 -161834.9125 -109283.0286 298.7694 -208.9930 -176.5368 762684.1906 -3.5827 -3.5853 PRESSURE: 3614400 -260.918 53.5143 -9.56184 53.5146 -81.8585 195.28 -9.56155 195.28 -207.815 GPRESSURE: 3614400 -147.119 0.202783 61.0643 -25.1628 -93.7383 199.834 -99.7628 184.329 -212.34 PRESSAVG: 3614400 -36.9384 24.7252 -36.5398 24.7252 25.4174 12.0862 -36.5399 12.0861 19.8394 GPRESSAVG: 3614400 -36.5533 22.9131 -36.8523 26.6068 24.9646 11.3573 -35.195 12.4891 20.4793 TIMING: 3614400 CPU: 11424.3, 0.00318651/step Wall: 11424.3, 0.00318651/step, 1.22645 hours remaining, 238.867188 MB of memory in use. ENERGY: 3614400 3982.7625 20340.1140 14487.8266 246.3584 -203436.5074 2464.7485 0.0000 0.0000 52158.3117 -109756.3858 299.7545 -161914.6974 -109388.8634 298.9118 -183.5305 -151.0656 761929.8656 2.7728 2.9635 PRESSURE: 3614600 608.321 83.6244 -34.1711 83.6245 93.8569 337.417 -34.1721 337.417 -23.3478 GPRESSURE: 3614600 582.371 8.91263 -16.8857 57.3331 127.55 317.82 -74.0408 190.074 62.7654 PRESSAVG: 3614600 27.5747 -53.3641 -25.363 -53.364 -21.4352 2.5467 -25.363 2.54674 -23.7105 GPRESSAVG: 3614600 27.3254 -52.1989 -25.5808 -54.5315 -20.9755 1.74561 -24.6539 2.43009 -24.5876 TIMING: 3614600 CPU: 11425, 0.00317639/step Wall: 11425, 0.00317639/step, 1.22238 hours remaining, 238.867188 MB of memory in use. ENERGY: 3614600 3941.1436 20468.3402 14512.2222 255.0228 -203899.1282 2854.5258 0.0000 0.0000 51974.9004 -109892.9732 298.7005 -161867.8736 -109545.3505 298.5185 226.2767 257.5620 760648.0286 -5.8570 -6.0792 PRESSURE: 3614800 91.3869 -39.9816 -206.865 -39.9817 -88.2634 148.949 -206.866 148.949 -44.717 GPRESSURE: 3614800 121.278 79.8161 -214.215 -18.4792 -55.4997 107.488 -92.4494 141.737 -34.0156 PRESSAVG: 3614800 3.77094 -46.6455 -37.8654 -46.6455 -27.2532 0.405731 -37.8655 0.405645 9.00169 GPRESSAVG: 3614800 3.99177 -46.9674 -40.2493 -46.4035 -26.7775 0.977128 -40.9415 0.687108 8.50921 TIMING: 3614800 CPU: 11425.6, 0.00315852/step Wall: 11425.6, 0.00315852/step, 1.21533 hours remaining, 238.867188 MB of memory in use. ENERGY: 3614800 3910.2373 20516.5287 14480.1874 263.9945 -203485.2155 2387.6955 0.0000 0.0000 52073.0047 -109853.5673 299.2643 -161926.5721 -109495.3249 298.3487 -13.8645 10.5874 761922.0531 -4.8269 -4.7588 PRESSURE: 3615000 -53.8151 179.935 246.746 179.935 57.6523 -278.396 246.747 -278.396 338.815 GPRESSURE: 3615000 157.051 189.02 195.208 111.397 36.2361 -278.303 265.414 -189.335 232.696 PRESSAVG: 3615000 2.87622 -44.5825 -24.9884 -44.5825 -7.64531 2.11661 -24.9884 2.1167 3.93965 GPRESSAVG: 3615000 3.9429 -43.9748 -23.223 -43.1002 -9.0409 3.95663 -23.7445 1.28877 4.24134 TIMING: 3615000 CPU: 11426.2, 0.00318214/step Wall: 11426.2, 0.00318214/step, 1.22424 hours remaining, 238.867188 MB of memory in use. ENERGY: 3615000 3960.2400 20546.1098 14495.3564 246.4543 -203974.0916 2882.8361 0.0000 0.0000 52268.3203 -109574.7746 300.3868 -161843.0949 -109213.5952 299.1511 114.2173 141.9945 761329.7595 -0.2765 -0.2856 PRESSURE: 3615200 30.3703 -103.094 109.807 -103.092 -110.608 17.8632 109.808 17.8636 28.4602 GPRESSURE: 3615200 -72.8787 -94.0625 88.6609 -176.28 24.885 -0.760202 89.1677 15.2785 76.5169 PRESSAVG: 3615200 5.52212 -26.4322 24.6407 -26.4321 15.2035 -0.604554 24.6406 -0.604507 -4.62488 GPRESSAVG: 3615200 3.33072 -24.8786 25.5133 -29.0114 16.0035 -2.37907 24.9412 -0.906381 -3.42955 TIMING: 3615200 CPU: 11426.9, 0.00317829/step Wall: 11426.9, 0.00317829/step, 1.22258 hours remaining, 238.867188 MB of memory in use. ENERGY: 3615200 4056.6360 20458.5934 14486.2916 230.3395 -203468.6903 2410.9242 0.0000 0.0000 51913.4682 -109912.4374 298.3474 -161825.9057 -109544.2106 298.8610 -17.2593 9.5078 760513.0268 5.3669 5.3015 PRESSURE: 3615400 7.5366 180.352 -189.284 180.351 246.561 -144.775 -189.284 -144.776 -42.7131 GPRESSURE: 3615400 60.204 201.455 -132.844 189.163 249.629 -99.4236 -281.369 -76.2454 -17.1588 PRESSAVG: 3615400 -8.03984 -54.6243 7.34241 -54.6243 -23.6237 -5.20258 7.34247 -5.20264 6.60421 GPRESSAVG: 3615400 -6.52245 -55.2541 7.58287 -54.5634 -24.2268 -5.30269 5.50577 -1.20016 6.1503 TIMING: 3615400 CPU: 11427.5, 0.00316927/step Wall: 11427.5, 0.00316927/step, 1.21894 hours remaining, 238.867188 MB of memory in use. ENERGY: 3615400 3976.7976 20509.8542 14513.8010 238.8786 -203831.3479 2783.3748 0.0000 0.0000 51811.7324 -109996.9092 297.7627 -161808.6416 -109644.2806 297.5023 70.4617 97.5580 761626.2857 -8.3531 -8.1997 PRESSURE: 3615600 -98.7096 -23.689 29.3479 -23.6892 -107.583 204.184 29.347 204.184 -173.044 GPRESSURE: 3615600 -5.44347 -96.0927 43.9013 -0.310508 -123.077 235.739 57.2719 227.878 -159.129 PRESSAVG: 3615600 -3.22186 -1.90378 20.1083 -1.90377 5.63472 27.7435 20.1082 27.7435 -14.9838 GPRESSAVG: 3615600 -1.87221 -1.09651 19.02 -0.332499 5.66567 28.9409 21.5927 22.9584 -16.3659 TIMING: 3615600 CPU: 11428.1, 0.00315628/step Wall: 11428.1, 0.00315628/step, 1.21377 hours remaining, 238.867188 MB of memory in use. ENERGY: 3615600 3874.4017 20381.4189 14452.5108 245.6055 -203104.7512 2228.5085 0.0000 0.0000 51895.9131 -110026.3926 298.2465 -161922.3058 -109658.0802 297.6951 -126.4455 -95.8832 761473.3684 -4.1903 -4.1908 PRESSURE: 3615800 -340.77 39.2645 -125.21 39.2639 -66.0914 294.107 -125.21 294.107 -292.827 GPRESSURE: 3615800 -291.237 -122.982 -145.683 73.1223 -65.1691 325.503 -70.2246 177.43 -268.611 PRESSAVG: 3615800 10.8779 -24.9145 -3.9092 -24.9145 -26.2868 15.39 -3.90911 15.3901 -20.7412 GPRESSAVG: 3615800 9.23464 -28.2564 -4.08703 -24.2562 -27.7007 14.1578 -3.58076 17.1349 -17.3554 TIMING: 3615800 CPU: 11428.8, 0.00314292/step Wall: 11428.8, 0.00314292/step, 1.20845 hours remaining, 238.867188 MB of memory in use. ENERGY: 3615800 3976.0152 20318.1774 14547.6468 244.6978 -203491.5376 2444.6161 0.0000 0.0000 51941.2628 -110019.1215 298.5072 -161960.3842 -109641.2031 297.3444 -233.2296 -208.3391 760952.7054 -12.0500 -11.9405 PRESSURE: 3616000 -12.6557 -89.4484 76.9722 -89.4478 -265.614 -64.1674 76.9718 -64.1662 101.381 GPRESSURE: 3616000 -9.29964 -195.754 125.766 -134.348 -170.345 -24.7696 100.085 -43.7568 100.471 PRESSAVG: 3616000 -25.7164 26.7876 -2.46902 26.7877 5.24234 35.0059 -2.46896 35.0059 0.128833 GPRESSAVG: 3616000 -26.8134 26.7876 -0.672639 25.8005 7.73824 34.7829 -4.3691 35.7471 -1.09288 TIMING: 3616000 CPU: 11429.4, 0.00318705/step Wall: 11429.4, 0.00318705/step, 1.22524 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3616000 3965.3467 20483.7640 14468.1871 253.5544 -203461.4683 2517.5255 0.0000 0.0000 51868.4115 -109904.6792 298.0885 -161773.0907 -109553.4879 298.2706 -58.9629 -26.3915 761197.1299 -6.7817 -6.7227 PRESSURE: 3616200 -279.112 164.362 243.946 164.362 121.844 16.3564 243.945 16.3567 -207.427 GPRESSURE: 3616200 -191.052 143.847 264.495 103.294 33.2602 16.5462 283.692 -25.4459 -139.23 PRESSAVG: 3616200 -49.3573 13.1361 84.0243 13.1361 66.8855 18.6609 84.0242 18.6609 -0.561267 GPRESSAVG: 3616200 -47.3185 15.0814 81.4746 14.3639 65.8149 19.5924 88.0185 18.5166 -1.4687 TIMING: 3616200 CPU: 11430, 0.0031763/step Wall: 11430, 0.0031763/step, 1.22094 hours remaining, 238.867188 MB of memory in use. ENERGY: 3616200 3989.2755 20436.8386 14440.3506 254.9091 -203416.7068 2512.6755 0.0000 0.0000 51716.6278 -110066.0297 297.2162 -161782.6575 -109698.9624 297.8236 -121.5651 -99.0072 760044.7957 5.6556 5.6759 LDB: ============= START OF LOAD BALANCING ============== 11442.4 LDB: ============== END OF LOAD BALANCING =============== 11442.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11442.4 LDB: ============= START OF LOAD BALANCING ============== 11442.8 LDB: Largest compute 7034 load 0.033862 is 17.3% of average load 0.196008 LDB: Average compute 0.004388 is 2.2% of average load 0.196008 LDB: TIME 11442.8 LOAD: AVG 0.196008 MAX 0.219142 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 11442.8 LOAD: AVG 0.196008 MAX 0.219142 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 11442.8 LOAD: AVG 0.196008 MAX 0.21857 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 11442.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11442.8 PRESSURE: 3616400 216.698 -121.86 -18.1373 -121.859 667.925 -13.3073 -18.1367 -13.3064 337.126 GPRESSURE: 3616400 339.329 -109.122 41.7405 -10.5508 645.072 14.8823 -81.1299 1.22465 315.404 PRESSAVG: 3616400 -67.8793 -71.4178 60.9781 -71.4177 89.1085 15.4001 60.9781 15.4001 30.0884 GPRESSAVG: 3616400 -68.7946 -73.0297 62.7745 -72.2227 88.9157 15.4447 58.8765 15.5681 31.0827 TIMING: 3616400 CPU: 11430.7, 0.00327736/step Wall: 11430.7, 0.00327736/step, 1.2596 hours remaining, 238.355469 MB of memory in use. ENERGY: 3616400 3873.7052 20522.7281 14419.5219 236.1773 -203624.1565 2695.8344 0.0000 0.0000 51893.9729 -109982.2168 298.2354 -161876.1896 -109617.2811 297.8130 407.2497 433.2680 759385.3294 17.1059 17.0679 PRESSURE: 3616600 121.407 -95.8072 217.223 -95.8065 90.079 -142.472 217.223 -142.471 -83.8581 GPRESSURE: 3616600 124.671 -26.3772 191.084 -6.1524 111.597 -71.4407 201.84 -179.91 -37.3166 PRESSAVG: 3616600 -36.0039 14.3889 10.9465 14.3889 44.6737 -10.8839 10.9465 -10.8839 -2.55665 GPRESSAVG: 3616600 -36.1707 17.7535 9.72097 13.9648 44.1258 -11.3372 11.1037 -11.4941 -2.33139 TIMING: 3616600 CPU: 11431.3, 0.00323373/step Wall: 11431.3, 0.00323373/step, 1.24265 hours remaining, 238.355469 MB of memory in use. ENERGY: 3616600 3923.5804 20600.3238 14474.0430 248.0081 -203414.9165 2445.7796 0.0000 0.0000 51900.3330 -109822.8486 298.2719 -161723.1815 -109457.5694 298.0332 42.5426 66.3173 759884.6400 2.0377 1.8746 PRESSURE: 3616800 -84.2632 -120.467 10.7311 -120.467 -337.896 41.7594 10.7308 41.7598 -271.654 GPRESSURE: 3616800 -146.307 -48.6518 -83.4815 -21.5918 -178.811 17.2995 18.4211 -4.29861 -269.685 PRESSAVG: 3616800 1.35828 -0.0380417 17.6238 -0.0380588 12.5137 -14.8229 17.6237 -14.8228 -12.3981 GPRESSAVG: 3616800 1.92065 -1.48587 17.9374 -0.994553 13.0674 -16.5881 19.4932 -14.9509 -13.4926 TIMING: 3616800 CPU: 11432, 0.00320823/step Wall: 11432, 0.00320823/step, 1.23267 hours remaining, 238.355469 MB of memory in use. ENERGY: 3616800 4042.5994 20384.7483 14466.9080 216.3029 -203739.8165 2635.6749 0.0000 0.0000 52134.8813 -109858.7017 299.6199 -161993.5830 -109496.9259 298.0166 -231.2709 -198.2676 760243.9338 0.4913 0.4985 PRESSURE: 3617000 -33.6604 8.2978 -135.842 8.29771 474.115 -69.9762 -135.841 -69.9766 70.5348 GPRESSURE: 3617000 90.7043 14.3624 -109.868 71.5284 458.846 -112.026 -35.1995 34.5884 34.1114 PRESSAVG: 3617000 55.0383 20.1508 42.198 20.1508 -31.2933 -21.8143 42.198 -21.8143 -4.13923 GPRESSAVG: 3617000 54.5884 18.7397 42.0586 21.2353 -31.0317 -21.6048 41.8325 -23.0741 -3.91848 TIMING: 3617000 CPU: 11432.6, 0.00318008/step Wall: 11432.6, 0.00318008/step, 1.22168 hours remaining, 238.355469 MB of memory in use. ENERGY: 3617000 3956.5131 20438.3059 14432.1930 260.1392 -203335.8241 2482.6171 0.0000 0.0000 51915.1941 -109850.8618 298.3573 -161766.0559 -109481.3806 298.3769 170.3298 194.5540 760338.4758 6.5353 6.5461 PRESSURE: 3617200 -253.38 -160.265 173.187 -160.265 -134.387 -159.638 173.187 -159.638 -223.285 GPRESSURE: 3617200 -223.631 -198.977 115.325 -203.924 -66.7423 -140.196 226.358 -199.458 -237.745 PRESSAVG: 3617200 -36.8926 -31.4713 10.255 -31.4713 69.9571 27.7677 10.255 27.7677 4.57197 GPRESSAVG: 3617200 -36.4008 -31.1405 10.0919 -32.9957 69.4465 26.301 8.00253 29.9848 3.97545 TIMING: 3617200 CPU: 11433.3, 0.00317869/step Wall: 11433.3, 0.00317869/step, 1.22097 hours remaining, 238.355469 MB of memory in use. ENERGY: 3617200 4025.1183 20419.0098 14477.1321 252.3992 -203581.1782 2363.6347 0.0000 0.0000 52070.4071 -109973.4771 299.2493 -162043.8842 -109613.6305 298.4604 -203.6842 -176.0394 757815.3956 12.5455 12.3404 PRESSURE: 3617400 336.125 -277.219 -134.065 -277.219 149.551 357.574 -134.065 357.574 -286.906 GPRESSURE: 3617400 316.964 -241.121 -241.863 -309.264 203.107 344.01 89.0416 345.937 -231.478 PRESSAVG: 3617400 45.25 7.39306 2.60883 7.39306 -1.47336 32.5768 2.60883 32.5769 6.21055 GPRESSAVG: 3617400 45.2334 6.5896 2.50454 9.06417 -2.23877 32.8644 4.0124 33.706 6.69265 TIMING: 3617400 CPU: 11433.9, 0.00316816/step Wall: 11433.9, 0.00316816/step, 1.21675 hours remaining, 238.355469 MB of memory in use. ENERGY: 3617400 4084.3374 20554.8707 14341.2773 239.5229 -203825.9995 2704.8045 0.0000 0.0000 51816.9804 -110084.2062 297.7929 -161901.1866 -109728.7328 298.1930 66.2570 96.1976 759038.5089 16.6624 16.5624 PRESSURE: 3617600 39.5333 -66.2441 20.0963 -66.2443 115.746 68.4356 20.0962 68.4354 500.594 GPRESSURE: 3617600 61.1254 -153.553 101.304 -129.896 227.011 14.4642 99.2263 27.8274 452.475 PRESSAVG: 3617600 34.5777 25.4712 23.1459 25.4712 -63.1233 -31.2057 23.1458 -31.2057 -14.0968 GPRESSAVG: 3617600 32.2409 25.7323 25.3021 24.8277 -61.7038 -28.5884 21.8962 -35.2456 -12.8523 TIMING: 3617600 CPU: 11434.5, 0.00320733/step Wall: 11434.5, 0.00320733/step, 1.23161 hours remaining, 238.355469 MB of memory in use. ENERGY: 3617600 3960.2820 20548.0254 14356.0271 231.4868 -203391.4991 2608.8230 0.0000 0.0000 51745.5825 -109941.2723 297.3826 -161686.8548 -109569.9864 297.5038 218.6245 246.8706 761232.1905 -14.2142 -14.1050 PRESSURE: 3617800 -219.193 172.074 -111.649 172.073 -271.727 150.938 -111.65 150.938 -280.398 GPRESSURE: 3617800 -128.92 136.455 -178.441 230.915 -276.058 196.785 -195.991 147.413 -262.914 PRESSAVG: 3617800 -44.4791 23.3229 -0.342648 23.323 8.82729 10.8219 -0.342651 10.8219 -22.8919 GPRESSAVG: 3617800 -42.7965 23.354 -2.14228 24.0211 8.15222 9.50747 0.601779 13.5935 -23.8042 TIMING: 3617800 CPU: 11435.2, 0.00319512/step Wall: 11435.2, 0.00319512/step, 1.22675 hours remaining, 238.355469 MB of memory in use. ENERGY: 3617800 4051.2844 20520.6522 14472.6605 240.6261 -203557.2491 2401.8443 0.0000 0.0000 51928.5895 -109941.5921 298.4343 -161870.1815 -109580.3396 298.6253 -257.1060 -222.6307 761404.0811 -19.5145 -19.4828 PRESSURE: 3618000 -270.082 69.6083 -95.8238 69.6067 72.9959 -62.9023 -95.8232 -62.9026 380.608 GPRESSURE: 3618000 -221.887 91.4695 -78.1213 7.04816 16.8042 -15.7651 -90.016 36.5057 441.629 PRESSAVG: 3618000 -34.1042 8.85606 42.0264 8.85619 39.4244 28.9107 42.0264 28.9107 4.56184 GPRESSAVG: 3618000 -35.379 9.01102 42.1864 8.87079 38.8816 28.6078 42.3868 28.9848 5.88395 TIMING: 3618000 CPU: 11435.8, 0.00318011/step Wall: 11435.8, 0.00318011/step, 1.22081 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3618000 3961.3304 20611.1001 14443.0402 235.4271 -203418.9931 2435.9962 0.0000 0.0000 51837.4807 -109894.6184 297.9107 -161732.0991 -109525.0035 298.1901 61.1740 78.8486 762197.3910 3.2940 3.1288 PRESSURE: 3618200 385.184 183.424 3.09442 183.424 86.3504 -43.9031 3.09465 -43.9031 -64.1226 GPRESSURE: 3618200 273.772 77.4095 96.0304 172.299 212.2 -115.739 -31.5301 120.252 0.682643 PRESSAVG: 3618200 -17.5775 42.4202 -5.20441 42.4202 56.6059 -8.98419 -5.20445 -8.98422 -4.55844 GPRESSAVG: 3618200 -16.5323 40.1791 -4.07168 41.8682 56.3549 -9.05545 -5.52573 -7.95958 -5.13851 TIMING: 3618200 CPU: 11436.4, 0.00316759/step Wall: 11436.4, 0.00316759/step, 1.21583 hours remaining, 238.355469 MB of memory in use. ENERGY: 3618200 3919.7975 20606.7082 14479.8150 247.2932 -203594.2564 2626.6750 0.0000 0.0000 51752.6783 -109961.2893 297.4234 -161713.9675 -109602.9911 298.3146 135.8040 162.2181 760880.6474 11.4900 11.5614 PRESSURE: 3618400 -292.858 -4.81189 -26.7326 -4.81139 508.411 -205.756 -26.7323 -205.756 -82.4549 GPRESSURE: 3618400 -286.622 21.6072 -64.1576 40.0002 492.771 -190.273 -248.012 -123.426 7.35558 PRESSAVG: 3618400 -38.7815 28.8722 27.1031 28.8722 47.1027 -39.2702 27.1031 -39.2702 -2.70363 GPRESSAVG: 3618400 -38.6334 30.606 24.9099 31.5841 47.3659 -37.2009 26.8094 -40.8287 -3.11079 TIMING: 3618400 CPU: 11437.1, 0.00318807/step Wall: 11437.1, 0.00318807/step, 1.22351 hours remaining, 238.355469 MB of memory in use. ENERGY: 3618400 3978.4975 20493.8861 14490.7119 236.5396 -203768.6809 2590.8138 0.0000 0.0000 52038.3310 -109939.9010 299.0650 -161978.2320 -109570.8080 298.0842 44.3663 71.1683 759186.8861 1.8725 1.8739 PRESSURE: 3618600 -228.942 -9.35824 -227.449 -9.35712 72.1913 -39.7669 -227.45 -39.7666 -329.504 GPRESSURE: 3618600 -102.423 66.7219 -247.9 3.12268 28.3576 -68.4725 -237.882 15.4028 -330.44 PRESSAVG: 3618600 -34.2709 44.1484 60.8734 44.1484 69.9766 -4.35855 60.8734 -4.35857 -0.860577 GPRESSAVG: 3618600 -33.5079 44.5043 61.4288 41.5977 70.3723 -6.88708 61.8427 -4.77564 -1.26634 TIMING: 3618600 CPU: 11437.7, 0.00320123/step Wall: 11437.7, 0.00320123/step, 1.22838 hours remaining, 238.355469 MB of memory in use. ENERGY: 3618600 3912.9758 20507.1689 14504.3434 235.6801 -203121.2510 2057.2908 0.0000 0.0000 52095.7693 -109808.0228 299.3951 -161903.7921 -109444.2800 298.3911 -162.0848 -134.8353 761007.7426 11.6151 11.8660 PRESSURE: 3618800 -311.048 -27.8617 -4.49756 -27.8614 -145.462 120.939 -4.49772 120.939 -163.18 GPRESSURE: 3618800 -276.326 -101.755 -84.549 12.036 -65.938 80.8755 1.89642 47.5294 -202.182 PRESSAVG: 3618800 -17.7735 32.0156 60.6005 32.0157 32.1291 7.45669 60.6005 7.45684 -7.14214 GPRESSAVG: 3618800 -17.3741 30.7602 60.0598 34.0425 30.6258 8.54086 61.9748 7.12152 -5.81583 TIMING: 3618800 CPU: 11438.4, 0.00317867/step Wall: 11438.4, 0.00317867/step, 1.21955 hours remaining, 238.355469 MB of memory in use. ENERGY: 3618800 3967.4162 20518.9983 14482.8948 243.3518 -203479.8607 2585.0221 0.0000 0.0000 51873.0165 -109809.1610 298.1149 -161682.1775 -109439.5418 298.0409 -206.5634 -181.4822 760977.3923 2.4045 2.4786 PRESSURE: 3619000 328.43 49.0825 -293.512 49.0824 23.8139 87.1025 -293.512 87.1038 -259.192 GPRESSURE: 3619000 297.745 -6.90912 -305.143 23.6783 73.5007 -73.2365 -195.168 -2.30043 -181.938 PRESSAVG: 3619000 -50.8851 -22.9158 21.3701 -22.9158 15.4648 20.1044 21.3701 20.1044 10.6405 GPRESSAVG: 3619000 -51.1993 -21.642 20.6929 -27.579 16.866 17.7268 20.3422 19.8855 9.07747 TIMING: 3619000 CPU: 11439, 0.00315544/step Wall: 11439, 0.00315544/step, 1.21046 hours remaining, 238.355469 MB of memory in use. ENERGY: 3619000 3914.0945 20555.0589 14508.2245 272.0817 -203186.7816 2457.9831 0.0000 0.0000 51828.5087 -109650.8302 297.8592 -161479.3390 -109284.5239 298.5043 31.0175 63.1026 762786.7415 -8.2599 -8.4186 PRESSURE: 3619200 -357.47 89.4732 107.493 89.4728 19.3176 -184.938 107.493 -184.937 -145.799 GPRESSURE: 3619200 -291.765 41.7154 177.885 -38.9285 41.5659 -259.031 94.8025 -49.392 -125.087 PRESSAVG: 3619200 27.7203 -11.6369 47.3165 -11.6368 -23.4718 32.5212 47.3166 32.5212 -3.82457 GPRESSAVG: 3619200 27.1731 -13.2667 49.2876 -7.15791 -22.62 34.2032 47.2236 32.7649 -3.46758 TIMING: 3619200 CPU: 11439.6, 0.00316775/step Wall: 11439.6, 0.00316775/step, 1.21501 hours remaining, 238.355469 MB of memory in use. ENERGY: 3619200 3987.4557 20534.2551 14503.2274 250.7901 -203450.2495 2609.1021 0.0000 0.0000 52122.6620 -109442.7571 299.5497 -161565.4191 -109076.1588 299.0509 -161.3172 -125.0953 762621.0710 0.1413 0.3619 PRESSURE: 3619400 61.4878 42.9516 319.287 42.9515 117.145 279.06 319.287 279.06 593.146 GPRESSURE: 3619400 126.544 -70.6647 260.764 132.038 168.791 268.522 355.432 227.231 548.833 PRESSAVG: 3619400 22.3661 38.9642 32.98 38.9642 -3.97501 27.0452 32.98 27.0452 -8.85417 GPRESSAVG: 3619400 22.8215 40.7367 32.8532 38.1476 -5.02618 27.7445 31.1349 27.8826 -8.58115 TIMING: 3619400 CPU: 11440.3, 0.00320101/step Wall: 11440.3, 0.00320101/step, 1.22759 hours remaining, 238.355469 MB of memory in use. ENERGY: 3619400 3956.1946 20471.4073 14419.3708 244.8930 -203267.6344 2555.4679 0.0000 0.0000 52202.4270 -109417.8738 300.0081 -161620.3008 -109046.1689 299.3795 257.2597 281.3892 761684.2157 3.1790 3.0714 PRESSURE: 3619600 -59.5574 64.2991 148.686 64.2992 -78.7719 -84.3287 148.686 -84.3286 352.261 GPRESSURE: 3619600 54.835 72.3042 80.1025 94.8155 -121.41 -159.647 194.149 6.14015 376.057 PRESSAVG: 3619600 -19.794 2.65695 50.1405 2.65696 6.02943 76.9921 50.1405 76.9921 12.8745 GPRESSAVG: 3619600 -19.2918 0.854553 50.1201 2.789 6.10729 75.6954 50.1028 74.4725 12.7458 TIMING: 3619600 CPU: 11440.9, 0.00320716/step Wall: 11440.9, 0.00320716/step, 1.22977 hours remaining, 238.355469 MB of memory in use. ENERGY: 3619600 4019.1267 20705.7798 14441.1741 236.5844 -203454.4282 2784.7909 0.0000 0.0000 51959.0722 -109307.9000 298.6095 -161266.9722 -108949.2499 299.7608 71.3107 103.1610 760822.6660 -0.2967 -0.1463 PRESSURE: 3619800 -208.227 -84.809 -93.1576 -84.8099 -277.719 57.1772 -93.1578 57.1764 60.0995 GPRESSURE: 3619800 -133.074 -127.768 -50.376 -120.923 -251.177 -19.5792 -57.7976 -24.6169 48.8747 PRESSAVG: 3619800 67.1741 10.4034 7.52426 10.4034 -23.9836 -23.5406 7.52423 -23.5406 -4.13302 GPRESSAVG: 3619800 66.2485 13.2808 6.58092 8.9948 -24.702 -23.2079 10.2577 -21.6923 -3.04268 TIMING: 3619800 CPU: 11441.5, 0.00322296/step Wall: 11441.5, 0.00322296/step, 1.23565 hours remaining, 238.355469 MB of memory in use. ENERGY: 3619800 3951.1534 20382.9016 14485.6310 226.6725 -203154.1695 2422.7284 0.0000 0.0000 52144.0079 -109541.0747 299.6723 -161685.0827 -109173.4713 299.1216 -141.9488 -111.7923 762247.1217 13.0192 12.8346 PRESSURE: 3620000 -253.139 -164.401 -41.1601 -164.401 -138.938 48.4679 -41.1608 48.4676 -593.888 GPRESSURE: 3620000 -184.284 -209.345 -41.18 -236.239 -167.86 7.90193 6.57815 45.3744 -539.58 PRESSAVG: 3620000 -29.2932 -0.00836608 15.9718 -0.00839385 23.6533 -23.0835 15.9718 -23.0834 1.45352 GPRESSAVG: 3620000 -29.4141 -0.814652 17.0559 0.99461 23.9109 -22.4802 16.9157 -22.4654 1.05466 TIMING: 3620000 CPU: 11442.2, 0.00319665/step Wall: 11442.2, 0.00319665/step, 1.22538 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3620000 3989.1797 20460.2339 14420.8523 233.5838 -203246.3508 2428.8643 0.0000 0.0000 52264.9397 -109448.6972 300.3673 -161713.6369 -109086.9661 299.0197 -328.6552 -297.2414 762761.4592 -1.3955 -1.4828 PRESSURE: 3620200 -0.542536 110.457 -6.54289 110.457 57.635 -159.326 -6.54282 -159.325 287.077 GPRESSURE: 3620200 -50.5848 104.261 -40.835 147.057 183.408 -208.886 -67.9965 -129.337 290.655 PRESSAVG: 3620200 -33.0413 29.536 14.2729 29.5359 51.5914 -20.2688 14.2728 -20.2688 3.62843 GPRESSAVG: 3620200 -31.7782 26.304 13.8117 30.4249 51.4023 -21.9975 12.4783 -20.7201 2.79391 TIMING: 3620200 CPU: 11442.8, 0.003198/step Wall: 11442.8, 0.003198/step, 1.22572 hours remaining, 238.355469 MB of memory in use. ENERGY: 3620200 4000.3814 20475.1792 14452.3534 224.1645 -203572.9531 2884.7507 0.0000 0.0000 52350.1905 -109185.9334 300.8573 -161536.1239 -108828.5891 299.3662 114.7231 141.1595 762534.8786 7.3928 7.4726 LDB: ============= START OF LOAD BALANCING ============== 11455.2 LDB: ============== END OF LOAD BALANCING =============== 11455.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11455.2 LDB: ============= START OF LOAD BALANCING ============== 11455.5 LDB: Largest compute 7033 load 0.033109 is 16.9% of average load 0.196078 LDB: Average compute 0.004377 is 2.2% of average load 0.196078 LDB: TIME 11455.5 LOAD: AVG 0.196078 MAX 0.217678 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.285 MB LDB: TIME 11455.5 LOAD: AVG 0.196078 MAX 0.217678 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.285 MB LDB: TIME 11455.5 LOAD: AVG 0.196078 MAX 0.217678 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.285 MB LDB: ============== END OF LOAD BALANCING =============== 11455.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11455.6 PRESSURE: 3620400 339.515 -82.1095 231.214 -82.1099 116.694 13.9627 231.214 13.9627 -119.208 GPRESSURE: 3620400 396.025 83.496 220.239 -203.764 191.896 -75.7787 213.674 4.43285 -148.922 PRESSAVG: 3620400 1.43143 -7.96305 -12.6548 -7.96304 12.3678 -7.9913 -12.6548 -7.99132 -12.4943 GPRESSAVG: 3620400 1.19341 -3.78424 -12.8207 -11.4828 13.3422 -6.63059 -11.7251 -8.05102 -12.9135 TIMING: 3620400 CPU: 11443.5, 0.00325784/step Wall: 11443.5, 0.00325784/step, 1.24847 hours remaining, 239.312500 MB of memory in use. ENERGY: 3620400 3878.8006 20559.2116 14462.9474 258.2224 -203133.1899 2750.4034 0.0000 0.0000 52106.2331 -109117.3713 299.4552 -161223.6044 -108747.3088 299.5848 112.3333 146.3331 763274.6526 0.4350 0.5407 PRESSURE: 3620600 -173.367 112.813 94.7567 112.812 -463.144 -13.9996 94.7567 -14.0001 -16.1298 GPRESSURE: 3620600 -147.999 -9.11977 141.266 120.678 -415.87 -23.7503 233.272 -84.0606 -5.24719 PRESSAVG: 3620600 -19.155 -3.57231 34.7008 -3.57233 16.4689 5.17894 34.7008 5.17891 4.99054 GPRESSAVG: 3620600 -19.6269 -3.4744 34.4153 -1.42455 15.4001 4.80965 34.8601 5.96382 6.55778 TIMING: 3620600 CPU: 11444.1, 0.00320385/step Wall: 11444.1, 0.00320385/step, 1.22761 hours remaining, 239.382812 MB of memory in use. ENERGY: 3620600 4018.4942 20769.4049 14451.1805 250.5337 -203033.8077 2312.0669 0.0000 0.0000 52043.9754 -109188.1522 299.0974 -161232.1276 -108827.5093 299.9512 -217.5467 -189.7054 764202.3601 0.7682 0.7770 PRESSURE: 3620800 -4.83345 -175.472 178.508 -175.472 -304.771 211.505 178.507 211.503 -38.7908 GPRESSURE: 3620800 82.975 -167.368 142.6 -241.422 -227.76 146.443 191.212 142.388 -97.2412 PRESSAVG: 3620800 2.16783 13.7522 47.0593 13.7522 -4.95491 -65.6178 47.0594 -65.6179 -5.78552 GPRESSAVG: 3620800 1.29435 12.9262 47.6344 14.2745 -3.2899 -64.3828 45.1698 -66.389 -6.49493 TIMING: 3620800 CPU: 11444.8, 0.00319688/step Wall: 11444.8, 0.00319688/step, 1.22476 hours remaining, 239.382812 MB of memory in use. ENERGY: 3620800 3994.6863 20454.7221 14428.0332 223.7195 -202536.9144 2343.7133 0.0000 0.0000 52093.2248 -108998.8153 299.3805 -161092.0401 -108633.8915 299.8818 -116.1318 -80.6754 762830.4844 -2.8575 -2.8302 PRESSURE: 3621000 -33.5884 143.202 84.9278 143.202 -40.9072 -93.6686 84.9279 -93.6691 -56.5055 GPRESSURE: 3621000 -2.29685 52.786 52.5939 172.751 -29.7649 -125.254 12.4895 -77.1103 -21.2405 PRESSAVG: 3621000 -2.0075 -0.214847 32.49 -0.214798 -3.22027 -14.2101 32.49 -14.2101 28.0897 GPRESSAVG: 3621000 -0.983164 0.103242 31.9102 -0.604328 -4.05229 -15.7076 33.1786 -15.5676 27.5444 TIMING: 3621000 CPU: 11445.4, 0.00319834/step Wall: 11445.4, 0.00319834/step, 1.22514 hours remaining, 239.382812 MB of memory in use. ENERGY: 3621000 4026.0434 20694.4430 14400.0558 252.8854 -202862.6998 2533.1062 0.0000 0.0000 52000.4582 -108955.7079 298.8473 -160956.1661 -108598.5518 299.7311 -43.6670 -17.7674 764619.4505 7.6206 7.5030 PRESSURE: 3621200 -198.17 43.733 62.2649 43.7337 166.813 -199.645 62.2663 -199.645 -63.3251 GPRESSURE: 3621200 -152.076 4.7761 92.1954 8.21546 172.4 -224.335 35.8262 -118.363 -34.6138 PRESSAVG: 3621200 71.047 2.32902 6.21451 2.32898 -49.0674 -4.39632 6.21456 -4.39637 8.77729 GPRESSAVG: 3621200 70.4414 -1.16571 7.35567 3.53056 -48.7903 -2.69163 7.21021 -2.95336 9.19539 TIMING: 3621200 CPU: 11446, 0.00324434/step Wall: 11446, 0.00324434/step, 1.24258 hours remaining, 239.382812 MB of memory in use. ENERGY: 3621200 4019.9213 20522.1995 14445.4575 249.2336 -203152.5065 2718.0103 0.0000 0.0000 52063.9682 -109133.7161 299.2123 -161197.6843 -108773.0868 300.0432 -31.5607 -4.7632 761526.3338 10.2523 10.2821 PRESSURE: 3621400 283.631 64.2422 -148.031 64.243 191.748 -105.251 -148.031 -105.25 -318.148 GPRESSURE: 3621400 325.6 8.99199 -168.664 186.942 170.195 -146.677 23.7541 -96.5978 -279.544 PRESSAVG: 3621400 -15.9441 39.9169 -25.0103 39.917 -17.9396 10.3132 -25.0104 10.3132 -1.2449 GPRESSAVG: 3621400 -15.1289 42.011 -25.6507 39.1108 -18.6467 9.27308 -25.8644 10.0318 -1.89403 TIMING: 3621400 CPU: 11446.7, 0.00322295/step Wall: 11446.7, 0.00322295/step, 1.23421 hours remaining, 239.382812 MB of memory in use. ENERGY: 3621400 4059.4939 20428.3126 14441.1463 225.0383 -203042.5515 2582.4681 0.0000 0.0000 52263.5187 -109042.5736 300.3592 -161306.0923 -108688.9079 299.6748 52.4103 72.0836 761027.2014 -11.7095 -11.8899 PRESSURE: 3621600 148.619 43.5829 303.347 43.583 -60.5361 -240.962 303.346 -240.962 445.958 GPRESSURE: 3621600 132.038 145.611 272.591 33.4758 -18.993 -297.164 127.306 -139.485 494.804 PRESSAVG: 3621600 2.62052 41.4949 -3.3323 41.4948 0.537265 -36.3919 -3.33226 -36.3919 7.28581 GPRESSAVG: 3621600 2.19823 41.6065 -5.3026 43.087 -0.384616 -36.5979 -3.3732 -37.573 8.14265 TIMING: 3621600 CPU: 11447.3, 0.00324991/step Wall: 11447.3, 0.00324991/step, 1.24435 hours remaining, 239.382812 MB of memory in use. ENERGY: 3621600 4066.0109 20529.7457 14544.1815 263.3610 -202934.3369 2436.9224 0.0000 0.0000 52229.2761 -108864.8392 300.1624 -161094.1153 -108499.7547 300.1018 178.0134 202.6164 762086.1657 3.4812 3.3188 PRESSURE: 3621800 -18.4383 -102.581 -141.143 -102.582 -94.4059 -0.131925 -141.144 -0.132439 -463.417 GPRESSURE: 3621800 80.3472 -12.103 -197.522 -127.301 -157.727 96.7077 -152.058 38.6969 -415.87 PRESSAVG: 3621800 70.8497 48.4538 59.732 48.4538 -70.6037 -1.46053 59.7319 -1.46054 -22.4475 GPRESSAVG: 3621800 68.934 49.7777 61.0699 46.7643 -67.6409 -0.88599 59.6017 1.21516 -23.41 TIMING: 3621800 CPU: 11448, 0.00321037/step Wall: 11448, 0.00321037/step, 1.22904 hours remaining, 239.382812 MB of memory in use. ENERGY: 3621800 4011.3483 20368.6331 14452.2622 261.3858 -202737.9286 2474.1422 0.0000 0.0000 52129.0719 -109041.0850 299.5865 -161170.1569 -108669.3339 300.0410 -192.0870 -164.4165 762031.8269 -7.4005 -7.3723 PRESSURE: 3622000 -140.548 187.29 -103.221 187.29 81.1278 262.162 -103.221 262.162 -102.462 GPRESSURE: 3622000 -25.8969 143.123 -60.6479 284.115 72.2554 156.153 -27.9439 169.567 -138.362 PRESSAVG: 3622000 42.3143 26.3674 23.7345 26.3675 -31.7426 19.9868 23.7345 19.9867 2.41808 GPRESSAVG: 3622000 43.7149 23.5693 24.4252 27.2644 -34.1843 19.2393 23.3271 16.1525 3.41319 TIMING: 3622000 CPU: 11448.6, 0.00319327/step Wall: 11448.6, 0.00319327/step, 1.22231 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3622000 4021.8036 20412.8851 14547.4088 217.9113 -203044.0277 2494.6192 0.0000 0.0000 52073.8044 -109275.5952 299.2689 -161349.3996 -108918.9036 299.3107 -53.9607 -30.6678 760312.0355 4.3299 4.3146 PRESSURE: 3622200 -75.8651 45.805 -76.7823 45.8055 -144.054 -82.2309 -76.7822 -82.2316 -346.348 GPRESSURE: 3622200 -75.0344 94.6775 -121.754 107.067 -139.133 -127.425 -163.725 3.15212 -283.447 PRESSAVG: 3622200 37.7403 60.4578 9.80429 60.4578 -0.28299 55.8388 9.80426 55.8388 -9.70227 GPRESSAVG: 3622200 35.9478 62.2256 10.3321 58.9727 1.73713 56.8542 9.27749 57.2018 -10.0196 TIMING: 3622200 CPU: 11449.3, 0.00318967/step Wall: 11449.3, 0.00318967/step, 1.22076 hours remaining, 239.382812 MB of memory in use. ENERGY: 3622200 3945.9854 20448.7186 14528.1658 261.7370 -203474.9505 2617.4024 0.0000 0.0000 52180.4253 -109492.5159 299.8816 -161672.9412 -109132.1363 299.3177 -188.7559 -165.8716 761039.9094 9.2517 9.2218 PRESSURE: 3622400 -63.7143 165.761 190.9 165.761 77.7012 56.6167 190.9 56.616 272.465 GPRESSURE: 3622400 75.584 57.1981 235.842 80.5975 64.8977 -50.3065 92.9589 46.2499 244.383 PRESSAVG: 3622400 38.7603 44.3855 63.5551 44.3855 -37.8499 -8.89623 63.5552 -8.89622 0.760799 GPRESSAVG: 3622400 40.0505 43.7797 61.4372 46.9846 -39.7254 -9.69047 64.0338 -7.01655 0.938599 TIMING: 3622400 CPU: 11449.9, 0.00320152/step Wall: 11449.9, 0.00320152/step, 1.22511 hours remaining, 239.382812 MB of memory in use. ENERGY: 3622400 3914.4992 20417.6134 14484.5183 253.8395 -203507.0419 2801.2545 0.0000 0.0000 52126.9601 -109508.3570 299.5744 -161635.3171 -109149.4068 299.0834 95.4840 128.2884 761311.1873 0.5571 0.4212 PRESSURE: 3622600 -51.8394 75.7399 -151.122 75.7403 223.966 72.0674 -151.121 72.0673 -97.5131 GPRESSURE: 3622600 108.156 173.606 -38.9286 68.8368 219.667 -49.7959 -88.2759 127.22 -166.763 PRESSAVG: 3622600 17.9165 17.6557 0.581545 17.6557 -8.02431 -47.233 0.581511 -47.233 18.7686 GPRESSAVG: 3622600 18.5035 18.2065 2.56648 16.0835 -8.69298 -45.5987 2.69364 -48.2545 18.8993 TIMING: 3622600 CPU: 11450.5, 0.00318731/step Wall: 11450.5, 0.00318731/step, 1.2195 hours remaining, 239.382812 MB of memory in use. ENERGY: 3622600 4061.9912 20430.9952 14408.0721 230.8652 -203312.7473 2620.6979 0.0000 0.0000 52225.0080 -109335.1178 300.1378 -161560.1258 -108969.5444 299.0146 24.8710 53.6867 760369.9776 9.5536 9.5699 PRESSURE: 3622800 -147.913 -4.17265 38.9867 -4.17184 -112.917 65.2433 38.9867 65.2441 -23.4384 GPRESSURE: 3622800 -93.0609 23.3836 -40.796 115.66 -36.8717 -92.9092 149.308 44.5004 -63.4423 PRESSAVG: 3622800 21.9835 18.4316 43.8509 18.4315 17.6694 -4.51557 43.8509 -4.51552 -14.369 GPRESSAVG: 3622800 19.9 19.7772 42.4702 18.5017 18.871 -5.54834 42.6938 -5.3289 -13.445 TIMING: 3622800 CPU: 11451.2, 0.00315351/step Wall: 11451.2, 0.00315351/step, 1.20639 hours remaining, 239.382812 MB of memory in use. ENERGY: 3622800 4003.9340 20512.5277 14485.5010 255.2403 -203216.7469 2500.0960 0.0000 0.0000 52020.0898 -109439.3582 298.9602 -161459.4479 -109078.4979 298.8995 -94.7561 -64.4583 761540.4261 8.4280 8.4420 PRESSURE: 3623000 147.995 203.022 63.075 203.022 187.559 199.837 63.0749 199.837 -24.1702 GPRESSURE: 3623000 132.65 151.887 -8.75085 189.551 291.227 97.6359 175.491 137.657 -40.9217 PRESSAVG: 3623000 60.6177 42.757 -7.84398 42.757 -19.2265 -0.0423243 -7.84399 -0.0423225 4.88448 GPRESSAVG: 3623000 61.0931 43.9699 -8.21474 40.9701 -19.0839 -0.0923623 -7.81559 -1.74027 3.74661 TIMING: 3623000 CPU: 11451.8, 0.00320337/step Wall: 11451.8, 0.00320337/step, 1.22529 hours remaining, 239.382812 MB of memory in use. ENERGY: 3623000 3932.7390 20574.7903 14467.8213 245.7321 -203333.2553 2759.4610 0.0000 0.0000 52121.6777 -109231.0338 299.5440 -161352.7115 -108867.6750 299.3406 103.7946 127.6516 759765.4196 15.4252 15.2519 PRESSURE: 3623200 48.681 -59.5446 -43.2573 -59.5442 -6.43567 19.1751 -43.2571 19.176 30.3726 GPRESSURE: 3623200 58.2698 -48.4736 5.49897 -69.0399 -4.02039 53.5277 -202.465 -86.5082 111.028 PRESSAVG: 3623200 20.9414 11.1706 52.1606 11.1705 17.4444 6.00989 52.1606 6.00987 20.7915 GPRESSAVG: 3623200 21.61 8.33907 53.8135 13.0986 16.111 5.12167 50.3993 9.00042 21.0099 TIMING: 3623200 CPU: 11452.4, 0.00321/step Wall: 11452.4, 0.00321/step, 1.22765 hours remaining, 239.382812 MB of memory in use. ENERGY: 3623200 4040.0196 20585.0673 14513.7335 233.1521 -203341.5590 2754.6305 0.0000 0.0000 52184.9123 -109030.0437 299.9074 -161214.9560 -108677.3529 300.1129 24.2060 55.0923 761107.7014 19.7258 19.5770 PRESSURE: 3623400 -44.4149 212.911 -195.716 212.911 -360.675 -65.7178 -195.716 -65.7175 31.1053 GPRESSURE: 3623400 -9.26387 250.023 -94.1947 130.853 -326.666 -53.5635 -160.348 -72.8719 60.1341 PRESSAVG: 3623400 -6.39174 7.7151 -28.6618 7.71502 8.34991 -23.6866 -28.6618 -23.6864 9.36918 GPRESSAVG: 3623400 -7.19905 6.92152 -29.2894 5.9005 8.36895 -23.3661 -26.4306 -25.3741 9.50291 TIMING: 3623400 CPU: 11453.1, 0.00316937/step Wall: 11453.1, 0.00316937/step, 1.21193 hours remaining, 239.382812 MB of memory in use. ENERGY: 3623400 4001.2980 20539.6873 14483.8787 234.8133 -202880.2435 2436.4827 0.0000 0.0000 52086.6966 -109097.3869 299.3430 -161184.0835 -108721.9485 299.9736 -124.6615 -91.9319 762309.9513 3.7758 3.5576 PRESSURE: 3623600 -87.3497 71.683 -9.00098 71.6829 -273.821 229.976 -9.0008 229.976 187.892 GPRESSURE: 3623600 -124.962 94.491 -36.1013 102.389 -236.966 225.348 59.559 314.416 267.507 PRESSAVG: 3623600 13.3422 40.4434 11.8945 40.4434 14.5302 60.6295 11.8945 60.6295 21.0858 GPRESSAVG: 3623600 13.742 41.9686 10.5613 43.0166 14.7559 60.8397 13.226 61.5196 20.5566 TIMING: 3623600 CPU: 11453.7, 0.00317253/step Wall: 11453.7, 0.00317253/step, 1.21296 hours remaining, 239.382812 MB of memory in use. ENERGY: 3623600 3979.6762 20643.3774 14496.3465 254.4401 -202742.7572 2245.4881 0.0000 0.0000 52229.5524 -108893.8765 300.1640 -161123.4289 -108525.1492 300.1735 -57.7596 -31.4736 761660.5896 16.3194 16.3515 PRESSURE: 3623800 -21.4812 -82.7374 41.9079 -82.7382 -0.347726 269.762 41.9069 269.765 -21.3979 GPRESSURE: 3623800 -3.85066 -76.9552 -31.218 -25.4893 66.3207 288.29 56.3712 11.983 -0.791373 PRESSAVG: 3623800 26.0903 -8.92302 -60.9249 -8.92306 20.2993 3.38385 -60.9248 3.38387 7.47151 GPRESSAVG: 3623800 25.3921 -9.35424 -59.7526 -9.83906 21.2108 3.09914 -62.1717 3.20862 7.19237 TIMING: 3623800 CPU: 11454.4, 0.00318915/step Wall: 11454.4, 0.00318915/step, 1.21914 hours remaining, 239.382812 MB of memory in use. ENERGY: 3623800 4002.7263 20573.6764 14521.4131 250.6044 -203218.3465 2589.3276 0.0000 0.0000 51963.6737 -109316.9250 298.6359 -161280.5986 -108953.1333 299.7133 -14.4089 20.5595 762264.9006 17.9537 17.9317 PRESSURE: 3624000 230.819 17.5926 -25.6166 17.5933 -160.846 15.1052 -25.6174 15.1048 -647.485 GPRESSURE: 3624000 250.099 55.661 -87.1375 -93.3132 -132.067 2.39115 -90.7738 15.3032 -605.869 PRESSAVG: 3624000 5.82951 2.85558 59.3987 2.85561 -32.6679 0.404247 59.3987 0.404274 7.7552 GPRESSAVG: 3624000 5.91381 3.21563 60.3615 3.42893 -32.6816 -0.628757 59.1998 -0.074375 7.44251 TIMING: 3624000 CPU: 11455, 0.00321155/step Wall: 11455, 0.00321155/step, 1.22752 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3624000 4032.4655 20495.5597 14487.1748 245.4174 -203891.4302 2863.8087 0.0000 0.0000 52296.8613 -109470.1427 300.5508 -161767.0040 -109105.5932 299.3967 -192.5041 -162.6123 761576.6510 -6.3611 -6.4418 PRESSURE: 3624200 -129.746 -9.70236 99.1324 -9.70185 -155.357 52.8012 99.1317 52.8009 -159.434 GPRESSURE: 3624200 -122.906 -11.5742 79.4799 34.3573 -114.208 -88.6024 97.8571 89.8004 -125.066 PRESSAVG: 3624200 18.8029 -21.3847 -5.01739 -21.3848 -3.75087 40.4799 -5.01742 40.4799 -0.543829 GPRESSAVG: 3624200 17.8078 -21.413 -6.81586 -21.3785 -3.47332 40.5572 -4.58872 39.8314 -0.226362 TIMING: 3624200 CPU: 11455.6, 0.0031777/step Wall: 11455.6, 0.0031777/step, 1.21441 hours remaining, 239.382812 MB of memory in use. ENERGY: 3624200 3937.9595 20724.5501 14487.6870 236.3459 -203277.1400 2407.6609 0.0000 0.0000 52118.4170 -109364.5195 299.5253 -161482.9365 -109010.9219 299.1356 -148.1789 -120.7267 762695.8354 4.8361 4.7027 LDB: ============= START OF LOAD BALANCING ============== 11468 LDB: ============== END OF LOAD BALANCING =============== 11468 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11468 LDB: ============= START OF LOAD BALANCING ============== 11468.4 LDB: Largest compute 7038 load 0.032039 is 16.3% of average load 0.195972 LDB: Average compute 0.004392 is 2.2% of average load 0.195972 LDB: TIME 11468.4 LOAD: AVG 0.195972 MAX 0.216939 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.207 MB LDB: TIME 11468.4 LOAD: AVG 0.195972 MAX 0.216939 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 11468.4 LOAD: AVG 0.195972 MAX 0.216939 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 11468.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11468.4 PRESSURE: 3624400 347.873 -161.894 -171.067 -161.894 117.697 -160.542 -171.066 -160.543 639.972 GPRESSURE: 3624400 356.04 -196.944 -221.175 -191.85 136.246 -157.344 -224.907 -176.807 705.585 PRESSAVG: 3624400 2.38204 -17.9346 39.5362 -17.9346 40.7518 12.5705 39.5362 12.5705 -9.26758 GPRESSAVG: 3624400 3.34974 -20.356 40.2552 -16.9747 40.4749 13.876 39.987 13.0838 -9.85863 TIMING: 3624400 CPU: 11456.3, 0.00326962/step Wall: 11456.3, 0.00326962/step, 1.24936 hours remaining, 238.343750 MB of memory in use. ENERGY: 3624400 3998.4871 20721.4765 14477.0658 232.7818 -203662.5133 2866.1918 0.0000 0.0000 52095.1863 -109271.3241 299.3918 -161366.5104 -108927.8177 299.7220 368.5143 399.2904 761443.8763 11.2888 11.3220 PRESSURE: 3624600 -174.171 115.402 -70.5202 115.402 -230.794 -48.2367 -70.5198 -48.2355 -745.504 GPRESSURE: 3624600 -186.776 72.3315 34.7335 177.488 -160.659 -71.6556 -117.779 -10.1076 -724.055 PRESSAVG: 3624600 -18.2586 -27.3132 6.22335 -27.3133 32.5085 -26.4156 6.22335 -26.4156 7.16679 GPRESSAVG: 3624600 -19.1866 -24.8558 7.90732 -29.4468 31.8361 -25.3639 5.62548 -25.8634 8.53304 TIMING: 3624600 CPU: 11456.9, 0.00319587/step Wall: 11456.9, 0.00319587/step, 1.221 hours remaining, 238.343750 MB of memory in use. ENERGY: 3624600 3967.8527 20571.7722 14430.9332 261.5312 -202952.4490 2476.2104 0.0000 0.0000 52093.4802 -109150.6690 299.3819 -161244.1492 -108791.3902 299.6225 -383.4897 -357.1636 763013.6691 7.1389 7.0608 PRESSURE: 3624800 -175.897 -36.5703 53.8052 -36.5709 58.6414 -130.847 53.8047 -130.847 162.02 GPRESSURE: 3624800 -93.9832 -75.3769 7.73307 -120.741 -0.518275 -99.8701 108.131 -141.48 222.579 PRESSAVG: 3624800 -10.206 20.5452 -49.1776 20.5451 -21.3547 -10.3808 -49.1776 -10.3808 14.7271 GPRESSAVG: 3624800 -9.95638 19.1652 -50.7669 22.3279 -22.5784 -11.5763 -48.8326 -9.71873 15.6399 TIMING: 3624800 CPU: 11457.6, 0.00323091/step Wall: 11457.6, 0.00323091/step, 1.23421 hours remaining, 238.343750 MB of memory in use. ENERGY: 3624800 3828.0858 20567.5831 14482.7204 263.8515 -202568.5406 2201.6422 0.0000 0.0000 52133.4446 -109091.2131 299.6116 -161224.6577 -108725.2603 299.6338 14.9215 42.6926 762394.7021 -5.6112 -5.6316 PRESSURE: 3625000 -109.954 -116.163 -115.934 -116.163 319.785 59.6999 -115.934 59.7003 -262.446 GPRESSURE: 3625000 -108.233 -100.863 -123.99 -103.443 316.282 94.1761 92.239 61.8595 -175.981 PRESSAVG: 3625000 -9.26108 -16.2877 -6.82349 -16.2877 -10.3914 3.18996 -6.82343 3.18993 6.05232 GPRESSAVG: 3625000 -9.68956 -15.7472 -6.02209 -18.1241 -7.72787 3.77908 -5.25741 1.12792 3.9922 TIMING: 3625000 CPU: 11458.2, 0.00320127/step Wall: 11458.2, 0.00320127/step, 1.22271 hours remaining, 238.343750 MB of memory in use. ENERGY: 3625000 4014.3140 20370.1449 14515.6290 253.7769 -203108.7127 2479.6949 0.0000 0.0000 52210.7985 -109264.3545 300.0562 -161475.1530 -108901.7382 299.8166 -17.5384 10.6893 762161.4051 -4.5334 -4.4751 PRESSURE: 3625200 -68.7622 -123.244 -162.692 -123.246 -369.146 -11.8742 -162.692 -11.8743 129.583 GPRESSURE: 3625200 -92.6723 -123.376 -142.725 -134.326 -273.223 -63.6921 -222.204 -128.308 148.747 PRESSAVG: 3625200 13.3094 -32.5259 -35.2814 -32.5259 0.584077 -4.0045 -35.2815 -4.00455 8.07408 GPRESSAVG: 3625200 14.1891 -34.9368 -35.2123 -29.6938 -0.18685 -4.62012 -35.3453 -4.6125 7.37453 TIMING: 3625200 CPU: 11458.8, 0.00316399/step Wall: 11458.8, 0.00316399/step, 1.20829 hours remaining, 238.343750 MB of memory in use. ENERGY: 3625200 4002.3573 20456.6586 14484.9081 243.1141 -203158.1724 2669.9706 0.0000 0.0000 52076.6578 -109224.5059 299.2853 -161301.1637 -108875.1813 299.4217 -102.7751 -72.3828 762201.4345 7.3225 7.1256 PRESSURE: 3625400 107.743 -48.4768 319.715 -48.4772 261.547 -163.715 319.715 -163.714 -109.699 GPRESSURE: 3625400 192.197 -99.5357 341.265 19.3194 176.633 -204.87 224.748 -153.23 -55.4355 PRESSAVG: 3625400 -0.331024 -31.5529 -4.50158 -31.553 11.9463 -63.7589 -4.50159 -63.7589 -15.7607 GPRESSAVG: 3625400 -0.269051 -27.8539 -5.92044 -33.1724 12.3716 -63.2757 -7.36952 -63.2694 -15.7958 TIMING: 3625400 CPU: 11459.5, 0.00315448/step Wall: 11459.5, 0.00315448/step, 1.20449 hours remaining, 238.343750 MB of memory in use. ENERGY: 3625400 4110.6607 20564.7583 14526.6757 249.6256 -203410.5497 2722.9667 0.0000 0.0000 52044.7481 -109191.1146 299.1019 -161235.8627 -108827.9497 299.4332 86.5304 104.4649 761878.8406 -1.3818 -1.2311 PRESSURE: 3625600 -222.702 -47.3232 207.882 -47.3233 162.753 176.101 207.882 176.101 16.4863 GPRESSURE: 3625600 -137.937 -6.15148 215.854 -140.228 119.934 177.457 327.57 21.0247 60.1872 PRESSAVG: 3625600 -11.1099 -37.5192 28.1098 -37.5192 38.0902 -37.5083 28.1098 -37.5084 1.43431 GPRESSAVG: 3625600 -10.4145 -40.1592 28.5326 -36.1488 37.3011 -35.9933 28.4736 -38.649 1.596 TIMING: 3625600 CPU: 11460.1, 0.00321699/step Wall: 11460.1, 0.00321699/step, 1.22818 hours remaining, 238.343750 MB of memory in use. ENERGY: 3625600 4025.5118 20512.2830 14459.1087 241.5302 -202670.1061 2425.1416 0.0000 0.0000 51977.0260 -109029.5047 298.7127 -161006.5308 -108662.1911 299.7723 -14.4875 14.0615 760675.7446 9.4715 9.4942 PRESSURE: 3625800 -101.369 149.857 -2.59056 149.858 -410.477 90.4806 -2.59076 90.4798 11.1295 GPRESSURE: 3625800 -150.931 29.1699 36.8865 63.3387 -318.394 -35.8236 -3.13844 233.611 55.538 PRESSAVG: 3625800 -3.70376 28.902 32.8507 28.902 -52.0321 -9.41408 32.8507 -9.41405 -0.203918 GPRESSAVG: 3625800 -5.17472 30.8927 33.6957 27.8519 -50.567 -11.3132 33.2138 -7.13101 0.673633 TIMING: 3625800 CPU: 11460.8, 0.00322963/step Wall: 11460.8, 0.00322963/step, 1.23282 hours remaining, 238.343750 MB of memory in use. ENERGY: 3625800 3965.5025 20717.8766 14492.4396 248.6767 -203050.1966 2509.0238 0.0000 0.0000 52039.2587 -109077.4187 299.0703 -161116.6774 -108724.4125 300.0479 -166.9055 -137.9291 763457.4011 -18.6466 -18.3560 PRESSURE: 3626000 182.837 -160.986 -63.8919 -160.986 -81.4215 1.04778 -63.8913 1.04736 72.3835 GPRESSURE: 3626000 221.591 -116.204 -88.0451 -194.209 -46.2569 8.00125 -28.6997 112.779 93.0117 PRESSAVG: 3626000 9.72597 -16.9698 -14.8873 -16.9699 -9.92468 -19.0905 -14.8873 -19.0905 1.97386 GPRESSAVG: 3626000 10.4124 -16.8441 -14.6396 -17.0064 -10.2099 -18.1382 -15.6922 -18.3087 1.92108 TIMING: 3626000 CPU: 11461.4, 0.00322483/step Wall: 11461.4, 0.00322483/step, 1.23081 hours remaining, 238.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3626000 3928.4316 20654.1735 14391.1907 237.1589 -203018.5017 2569.3674 0.0000 0.0000 52160.1419 -109078.0377 299.7651 -161238.1796 -108717.5777 299.5830 57.9331 89.4485 761663.9693 0.5917 0.7079 PRESSURE: 3626200 -141.762 -215.314 90.3854 -215.314 116.267 162.185 90.3862 162.184 71.926 GPRESSURE: 3626200 -75.1553 -172.524 -9.71661 -152.465 141.231 108.783 -11.7203 156.442 52.7349 PRESSAVG: 3626200 10.2387 -21.4623 -14.7453 -21.4623 -1.01624 -6.00283 -14.7453 -6.00285 6.63907 GPRESSAVG: 3626200 9.88538 -21.6133 -16.3017 -23.252 -0.7541 -6.69264 -14.1988 -5.30077 6.44863 TIMING: 3626200 CPU: 11462.1, 0.00323437/step Wall: 11462.1, 0.00323437/step, 1.23427 hours remaining, 238.343750 MB of memory in use. ENERGY: 3626200 3974.6229 20494.7126 14472.6206 250.9202 -203044.6941 2460.9146 0.0000 0.0000 52222.2514 -109168.6518 300.1220 -161390.9032 -108811.4580 299.3985 15.4769 39.6034 762189.7742 5.2872 5.1933 PRESSURE: 3626400 177.692 -20.2976 -106.283 -20.2981 345.489 -41.2627 -106.282 -41.2626 -187.857 GPRESSURE: 3626400 174.463 -129.209 -93.0062 -74.5439 396.988 -44.3025 -136.056 -15.839 -167.507 PRESSAVG: 3626400 -2.91792 -0.852905 9.98498 -0.852924 0.867709 -70.9368 9.98496 -70.9368 5.50772 GPRESSAVG: 3626400 -2.77284 -2.52195 11.5162 -0.59958 0.660068 -68.8199 8.57894 -74.4382 5.46767 TIMING: 3626400 CPU: 11462.7, 0.00322024/step Wall: 11462.7, 0.00322024/step, 1.2287 hours remaining, 238.343750 MB of memory in use. ENERGY: 3626400 4017.1875 20341.7016 14467.8731 220.6137 -203532.6894 3078.4951 0.0000 0.0000 52364.8420 -109041.9765 300.9415 -161406.8185 -108677.6228 299.6886 111.7750 134.6479 761863.3989 1.1525 1.1183 PRESSURE: 3626600 69.9088 139.314 -9.87872 139.313 -82.5176 -40.0841 -9.87896 -40.0832 353.226 GPRESSURE: 3626600 147.348 195.489 1.59275 163.471 -149.886 -77.4395 -69.8609 15.4812 430.911 PRESSAVG: 3626600 61.2653 16.7931 -25.6593 16.7931 -3.2467 -24.7698 -25.6593 -24.7698 36.6345 GPRESSAVG: 3626600 61.2427 17.7221 -25.5976 17.9477 -2.33592 -26.2514 -24.2084 -22.4956 35.7446 TIMING: 3626600 CPU: 11463.3, 0.00322106/step Wall: 11463.3, 0.00322106/step, 1.22883 hours remaining, 238.343750 MB of memory in use. ENERGY: 3626600 3934.3618 20587.5071 14408.0234 236.6400 -203355.6596 2702.7943 0.0000 0.0000 52201.5531 -109284.7800 300.0030 -161486.3330 -108913.6028 300.1985 113.5391 142.7910 762508.0196 31.5510 31.5505 PRESSURE: 3626800 43.3845 162.902 71.4238 162.902 -23.642 -280.089 71.4233 -280.088 -9.50158 GPRESSURE: 3626800 0.35339 209.908 35.8952 200.698 17.5431 -206.348 45.6169 -283.588 49.5215 PRESSAVG: 3626800 92.3773 -6.7184 -28.8744 -6.71842 -51.8882 -34.1644 -28.8745 -34.1645 6.30512 GPRESSAVG: 3626800 91.4751 -4.96147 -29.1472 -8.59036 -53.0231 -34.9272 -30.2933 -33.5772 7.77468 TIMING: 3626800 CPU: 11464, 0.00324069/step Wall: 11464, 0.00324069/step, 1.23614 hours remaining, 238.343750 MB of memory in use. ENERGY: 3626800 4003.0280 20467.0708 14448.8097 250.8981 -203358.1655 2644.1396 0.0000 0.0000 52251.0005 -109293.2188 300.2872 -161544.2193 -108932.4254 299.9237 3.4136 22.4727 762677.5368 15.5981 15.4089 PRESSURE: 3627000 -360.858 -135.45 144.254 -135.451 -271.475 -84.0668 144.254 -84.0665 113.357 GPRESSURE: 3627000 -286.615 -165.772 218.987 -178.803 -190.721 -34.6214 75.359 -10.9673 37.551 PRESSAVG: 3627000 35.1631 -23.2808 -48.0871 -23.2807 -25.6289 -22.4627 -48.0871 -22.4627 10.3239 GPRESSAVG: 3627000 36.6998 -26.3836 -47.6376 -22.3032 -26.1944 -20.8291 -45.9431 -23.848 9.70552 TIMING: 3627000 CPU: 11464.6, 0.00321837/step Wall: 11464.6, 0.00321837/step, 1.22745 hours remaining, 238.343750 MB of memory in use. ENERGY: 3627000 3957.7807 20707.9720 14438.8632 250.8011 -203300.5267 2487.2245 0.0000 0.0000 52129.8733 -109328.0119 299.5911 -161457.8852 -108964.5325 299.5034 -172.9919 -146.5949 761570.5326 6.6194 6.7370 PRESSURE: 3627200 -48.467 34.96 -41.3384 34.9594 14.8015 181.395 -41.339 181.395 -290.728 GPRESSURE: 3627200 -131.933 -73.6939 -37.4598 51.5115 86.2167 197.899 -62.2982 221.699 -192.699 PRESSAVG: 3627200 -27.3775 -17.5162 -3.12924 -17.5161 -8.33014 -2.58319 -3.12925 -2.58315 21.9148 GPRESSAVG: 3627200 -28.498 -16.0277 -2.99931 -17.6547 -7.09978 -2.26053 -3.3375 -1.40308 21.9215 TIMING: 3627200 CPU: 11465.3, 0.00324323/step Wall: 11465.3, 0.00324323/step, 1.23675 hours remaining, 238.343750 MB of memory in use. ENERGY: 3627200 4007.6812 20453.7885 14488.3254 256.4048 -203130.9571 2205.9583 0.0000 0.0000 52218.7541 -109500.0448 300.1019 -161718.7988 -109128.4601 299.5519 -108.1312 -79.4720 761886.6997 -4.5976 -4.5587 PRESSURE: 3627400 -62.0638 154.047 201.664 154.048 228.484 -118.984 201.664 -118.983 128.991 GPRESSURE: 3627400 -10.6745 94.0825 155.371 132.063 335.41 -100.188 155.406 -196.898 52.1346 PRESSAVG: 3627400 -47.103 -0.200053 -10.9064 -0.200028 67.6548 -13.9552 -10.9064 -13.9552 8.25219 GPRESSAVG: 3627400 -46.4773 -2.32763 -11.5036 -1.10275 67.3676 -15.0787 -10.0332 -15.7079 8.71257 TIMING: 3627400 CPU: 11465.9, 0.0032583/step Wall: 11465.9, 0.0032583/step, 1.24232 hours remaining, 238.343750 MB of memory in use. ENERGY: 3627400 3981.4208 20582.3743 14484.1486 245.9146 -203606.7085 2694.2695 0.0000 0.0000 52264.6487 -109353.9320 300.3657 -161618.5806 -108993.9380 299.5507 98.4706 125.6235 760975.9401 9.6014 9.8676 PRESSURE: 3627600 -123.135 -98.5164 12.7829 -98.5166 -55.27 -213.373 12.7833 -213.374 -59.9593 GPRESSURE: 3627600 -146.499 -106.591 -16.6938 -174.012 55.0516 -160.935 29.8119 -118.131 -56.1603 PRESSAVG: 3627600 -59.3449 17.264 -20.4636 17.264 35.7828 -10.1416 -20.4637 -10.1415 -15.2532 GPRESSAVG: 3627600 -60.3605 19.9315 -21.506 18.7105 37.597 -10.1767 -20.9917 -10.3042 -16.026 TIMING: 3627600 CPU: 11466.6, 0.00319172/step Wall: 11466.6, 0.00319172/step, 1.21676 hours remaining, 238.343750 MB of memory in use. ENERGY: 3627600 4018.0821 20529.0576 14531.8688 252.5840 -203407.2427 2655.4488 0.0000 0.0000 52160.7135 -109259.4880 299.7683 -161420.2015 -108896.8306 299.5930 -79.4548 -49.2025 760574.4713 -12.9384 -12.9298 PRESSURE: 3627800 428.531 80.8437 85.1147 80.8434 186.921 -218.807 85.1147 -218.807 48.1048 GPRESSURE: 3627800 477.131 8.35125 109.859 101.763 239.616 -311.902 25.3024 -263.481 22.0963 PRESSAVG: 3627800 -10.1562 4.78861 -30.3925 4.78855 72.6154 -33.579 -30.3925 -33.579 -4.87364 GPRESSAVG: 3627800 -9.79875 4.97468 -30.31 2.93437 70.5699 -33.2183 -31.9199 -33.4147 -3.33471 TIMING: 3627800 CPU: 11467.2, 0.00323707/step Wall: 11467.2, 0.00323707/step, 1.23386 hours remaining, 238.343750 MB of memory in use. ENERGY: 3627800 4003.6626 20504.9586 14402.6229 240.6495 -203234.5910 2649.3643 0.0000 0.0000 52119.2944 -109314.0387 299.5303 -161433.3331 -108950.0271 300.0002 221.1856 246.2811 760567.2688 19.1952 19.1455 PRESSURE: 3628000 -151.556 -52.4977 -358.099 -52.4982 -0.813735 -330.619 -358.098 -330.619 -100.347 GPRESSURE: 3628000 -38.4926 -78.7205 -427.887 -84.7581 -52.892 -278.845 -304.226 -154.173 -97.2327 PRESSAVG: 3628000 -22.2267 25.9188 -39.5327 25.9189 6.43588 -25.5671 -39.5327 -25.5672 15.3228 GPRESSAVG: 3628000 -20.9449 26.174 -40.1165 26.6765 6.72556 -25.7955 -38.8384 -26.3474 13.6899 TIMING: 3628000 CPU: 11467.9, 0.00318725/step Wall: 11467.9, 0.00318725/step, 1.2147 hours remaining, 238.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3628000 3942.6323 20575.4004 14446.5564 267.1060 -203374.0153 2529.5581 0.0000 0.0000 52131.6680 -109481.0942 299.6014 -161612.7622 -109129.3962 299.4008 -84.2388 -62.8724 761347.8793 -0.1560 -0.1765 PRESSURE: 3628200 -19.6443 9.17214 44.7986 9.17125 -19.0558 -105.734 44.7992 -105.735 -21.2417 GPRESSURE: 3628200 54.1876 -25.7681 57.1279 -62.3494 -55.4876 -107.566 100.16 -104.857 36.3937 PRESSAVG: 3628200 22.293 -5.94309 -21.2185 -5.94308 -40.6599 -16.7224 -21.2185 -16.7224 -1.77063 GPRESSAVG: 3628200 21.8665 -6.65341 -20.8701 -7.63556 -40.4093 -15.6812 -21.628 -15.2578 -1.63968 TIMING: 3628200 CPU: 11468.5, 0.00319082/step Wall: 11468.5, 0.00319082/step, 1.21588 hours remaining, 238.343750 MB of memory in use. ENERGY: 3628200 4003.4729 20454.1630 14454.6087 255.2865 -203610.6227 2673.4994 0.0000 0.0000 52102.4393 -109667.1528 299.4334 -161769.5921 -109299.5431 298.9947 -19.9806 11.6979 762988.3783 -6.7125 -6.7275 LDB: ============= START OF LOAD BALANCING ============== 11480.9 LDB: ============== END OF LOAD BALANCING =============== 11480.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11480.9 LDB: ============= START OF LOAD BALANCING ============== 11481.2 LDB: Largest compute 7033 load 0.034054 is 17.4% of average load 0.195979 LDB: Average compute 0.004395 is 2.2% of average load 0.195979 LDB: TIME 11481.2 LOAD: AVG 0.195979 MAX 0.21661 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.262 MB LDB: TIME 11481.2 LOAD: AVG 0.195979 MAX 0.21661 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.262 MB LDB: TIME 11481.2 LOAD: AVG 0.195979 MAX 0.21661 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.262 MB LDB: ============== END OF LOAD BALANCING =============== 11481.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11481.2 PRESSURE: 3628400 110.298 150.916 -178.328 150.916 35.6437 -4.6946 -178.327 -4.69493 126.48 GPRESSURE: 3628400 129.035 78.7012 -168.029 211.094 5.96245 -32.919 -129.369 -25.9531 213.11 PRESSAVG: 3628400 73.4629 -57.8359 -18.6032 -57.836 -15.8051 4.7381 -18.6032 4.73809 16.8937 GPRESSAVG: 3628400 73.8932 -57.0471 -17.8995 -56.4908 -16.9592 2.91922 -17.9592 3.63355 17.666 TIMING: 3628400 CPU: 11469.1, 0.00325468/step Wall: 11469.1, 0.00325468/step, 1.24003 hours remaining, 239.570312 MB of memory in use. ENERGY: 3628400 3956.7252 20552.6619 14456.6408 239.2715 -203747.5410 2919.5253 0.0000 0.0000 52144.4265 -109478.2898 299.6747 -161622.7163 -109121.9737 298.9449 90.8072 116.0356 762380.4405 24.8505 24.8667 PRESSURE: 3628600 56.3037 20.3996 50.4255 20.4003 -183.933 55.0588 50.4254 55.0589 148.952 GPRESSURE: 3628600 122.407 -144.182 -17.5122 34.9402 -152.807 101.531 17.8284 12.8781 128.713 PRESSAVG: 3628600 25.3967 5.82276 -27.9805 5.82274 -37.6376 -18.6504 -27.9805 -18.6505 14.5009 GPRESSAVG: 3628600 24.9975 3.90035 -28.2336 7.06665 -37.122 -19.0223 -26.0279 -17.2796 14.3557 TIMING: 3628600 CPU: 11469.8, 0.0032152/step Wall: 11469.8, 0.0032152/step, 1.22481 hours remaining, 239.570312 MB of memory in use. ENERGY: 3628600 4054.7270 20338.7704 14428.4928 240.3458 -203499.5618 2741.3938 0.0000 0.0000 52052.7340 -109643.0980 299.1478 -161695.8319 -109280.0246 299.0310 7.1077 32.7710 761989.4234 0.7534 0.7437 PRESSURE: 3628800 157.167 152.661 -188.634 152.662 -132.365 31.6975 -188.635 31.6971 205.189 GPRESSURE: 3628800 111.953 156.545 -123.461 144.071 -34.614 128.047 -143.606 63.2868 250.658 PRESSAVG: 3628800 7.09375 -3.89787 -10.0758 -3.89787 -41.2007 18.7662 -10.0759 18.7663 -5.28444 GPRESSAVG: 3628800 5.64692 -1.5951 -9.73852 -7.69717 -40.0107 19.6811 -14.1596 19.9682 -4.51514 TIMING: 3628800 CPU: 11470.4, 0.00316113/step Wall: 11470.4, 0.00316113/step, 1.20404 hours remaining, 239.570312 MB of memory in use. ENERGY: 3628800 3953.6298 20447.1630 14393.2371 243.0519 -203279.9974 2446.9037 0.0000 0.0000 52071.4968 -109724.5149 299.2556 -161796.0117 -109367.5844 298.5832 76.6637 109.3322 761510.6354 -13.1305 -12.9596 PRESSURE: 3629000 -36.9777 -81.8919 -73.5079 -81.8927 -381.697 58.9794 -73.5085 58.9793 367.623 GPRESSURE: 3629000 8.57537 -76.6382 -73.7776 -25.7866 -356.391 68.177 -14.3392 -14.8903 381.45 PRESSAVG: 3629000 27.5542 -15.4044 -36.724 -15.4045 -33.0538 -4.6199 -36.724 -4.61986 3.99409 GPRESSAVG: 3629000 29.6506 -15.2226 -37.8378 -12.831 -34.0348 -4.65619 -32.3497 -8.33388 2.70744 TIMING: 3629000 CPU: 11471.1, 0.00317716/step Wall: 11471.1, 0.00317716/step, 1.20997 hours remaining, 239.570312 MB of memory in use. ENERGY: 3629000 4024.4077 20441.4859 14486.1995 231.0500 -203340.5033 2660.6715 0.0000 0.0000 51887.1799 -109609.5087 298.1963 -161496.6886 -109250.3725 298.9561 -17.0171 11.2117 763339.1023 -0.5019 -0.5589 PRESSURE: 3629200 397.307 -249.457 139.551 -249.457 -28.2892 114.15 139.552 114.15 296.818 GPRESSURE: 3629200 346.912 -188.573 105.174 -214.532 0.657918 107.43 69.6867 185.207 405.182 PRESSAVG: 3629200 -3.05856 -30.2715 -46.0203 -30.2714 -38.7908 -50.7125 -46.0203 -50.7125 3.64929 GPRESSAVG: 3629200 -3.01319 -29.3025 -45.349 -31.7937 -39.7437 -50.8864 -48.1115 -48.0162 4.09731 TIMING: 3629200 CPU: 11471.7, 0.00318533/step Wall: 11471.7, 0.00318533/step, 1.2129 hours remaining, 239.570312 MB of memory in use. ENERGY: 3629200 4002.7651 20593.5004 14387.1363 239.9047 -203948.6106 2960.6996 0.0000 0.0000 52157.8804 -109606.7240 299.7521 -161764.6044 -109240.9023 299.1000 221.9453 250.9175 761136.2856 -12.7334 -12.8865 PRESSURE: 3629400 70.4176 298.765 -34.0485 298.766 -120.193 -125.544 -34.0484 -125.545 266.596 GPRESSURE: 3629400 51.0839 265.138 -3.94521 281.652 -56.4454 -108.579 15.4815 -114.806 304.062 PRESSAVG: 3629400 -13.042 11.542 -38.8781 11.5419 -14.8288 -5.89401 -38.8781 -5.89395 7.8919 GPRESSAVG: 3629400 -13.875 9.46976 -37.804 14.5845 -14.1864 -5.53829 -39.4635 -5.62618 8.39482 TIMING: 3629400 CPU: 11472.3, 0.00316685/step Wall: 11472.3, 0.00316685/step, 1.20569 hours remaining, 239.570312 MB of memory in use. ENERGY: 3629400 3929.3850 20634.0671 14390.8912 249.3880 -203286.0132 2563.8012 0.0000 0.0000 51869.6628 -109648.8180 298.0957 -161518.4808 -109294.6686 298.9030 72.2736 99.5668 762463.2434 -6.6596 -6.5555 PRESSURE: 3629600 -57.5836 13.9644 115.403 13.9645 33.612 -114.048 115.403 -114.049 256.952 GPRESSURE: 3629600 -28.6497 22.0946 128.438 112.677 55.3146 -42.6165 156.659 -133.161 283.676 PRESSAVG: 3629600 -9.41759 27.3847 -19.0369 27.3847 -17.177 2.49084 -19.0369 2.49092 -13.2616 GPRESSAVG: 3629600 -9.56073 27.9074 -18.8277 25.1967 -17.0193 2.50432 -20.0289 2.08053 -13.3774 TIMING: 3629600 CPU: 11473, 0.00319924/step Wall: 11473, 0.00319924/step, 1.21785 hours remaining, 239.570312 MB of memory in use. ENERGY: 3629600 3971.5417 20536.4737 14478.7363 262.2292 -203357.9089 2424.9887 0.0000 0.0000 52167.0861 -109516.8533 299.8050 -161683.9394 -109152.9315 298.6795 77.6601 103.4468 760115.9543 -13.2854 -13.3192 PRESSURE: 3629800 111.986 33.4338 -45.5469 33.4339 -169.221 26.8659 -45.547 26.8659 293.725 GPRESSURE: 3629800 36.7883 -21.818 -27.5309 -21.6154 -38.7292 -32.0033 -56.2315 1.79248 326.572 PRESSAVG: 3629800 -5.40073 18.8308 -54.6877 18.8308 9.59775 -42.6358 -54.6877 -42.6359 -7.49483 GPRESSAVG: 3629800 -5.45722 20.4664 -56.0536 17.2076 9.51853 -43.6174 -52.8434 -43.2023 -7.48592 TIMING: 3629800 CPU: 11473.6, 0.00321968/step Wall: 11473.6, 0.00321968/step, 1.22545 hours remaining, 239.570312 MB of memory in use. ENERGY: 3629800 4049.8769 20471.0828 14438.8801 263.0552 -203315.3023 2583.5431 0.0000 0.0000 51926.7798 -109582.0845 298.4239 -161508.8642 -109228.1994 298.6619 78.8300 108.2105 761542.4052 -1.0993 -1.1415 PRESSURE: 3630000 -186.107 90.4235 19.2618 90.424 90.0997 29.2863 19.2623 29.2863 -328.583 GPRESSURE: 3630000 -133.284 137.345 -27.5412 17.9723 48.5713 87.1433 78.7511 -28.1183 -258.015 PRESSAVG: 3630000 20.0375 43.5482 21.0401 43.5482 -40.933 -8.79438 21.0401 -8.79439 10.274 GPRESSAVG: 3630000 20.6122 42.3318 20.6979 46.5642 -39.2687 -8.2479 19.751 -9.31559 8.72509 TIMING: 3630000 CPU: 11474.3, 0.00322079/step Wall: 11474.3, 0.00322079/step, 1.22569 hours remaining, 239.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3630000 4011.3855 20421.1044 14436.8458 246.2320 -203244.6273 2547.3558 0.0000 0.0000 51899.9314 -109681.7724 298.2696 -161581.7038 -109323.1557 298.6910 -141.5302 -114.2426 761002.2231 -3.5405 -3.3105 PRESSURE: 3630200 16.4648 277.495 57.8809 277.494 71.9544 -56.0408 57.8807 -56.0402 86.7937 GPRESSURE: 3630200 98.3201 221.518 100.214 260.226 76.939 -188.541 96.0981 74.5333 100.121 PRESSAVG: 3630200 -18.2131 26.847 38.965 26.847 -8.86676 -14.9516 38.965 -14.9516 12.086 GPRESSAVG: 3630200 -18.2852 26.7282 39.7724 24.7899 -9.98398 -14.5271 42.0527 -14.5287 13.4524 TIMING: 3630200 CPU: 11474.9, 0.00324005/step Wall: 11474.9, 0.00324006/step, 1.23284 hours remaining, 239.570312 MB of memory in use. ENERGY: 3630200 3967.4542 20452.7093 14498.5296 250.4360 -203448.9602 2477.5725 0.0000 0.0000 52183.5490 -109618.7097 299.8996 -161802.2587 -109256.5298 298.7149 58.4043 91.7932 759401.3738 -4.9980 -4.9389 PRESSURE: 3630400 21.6015 56.923 169.736 56.9219 -89.9312 -41.9034 169.736 -41.9046 143.554 GPRESSURE: 3630400 -24.9694 -71.7699 199.887 -18.5482 -69.0504 -49.0649 148.574 -90.6289 237.483 PRESSAVG: 3630400 -44.4146 59.7192 49.4438 59.7192 25.3556 -37.5277 49.4437 -37.5276 -3.91018 GPRESSAVG: 3630400 -44.6812 58.1542 48.6157 60.0195 25.4595 -37.3824 48.2314 -35.8534 -3.29842 TIMING: 3630400 CPU: 11475.6, 0.00323712/step Wall: 11475.6, 0.00323712/step, 1.23155 hours remaining, 239.570312 MB of memory in use. ENERGY: 3630400 3982.6427 20515.9653 14415.4526 261.6975 -203127.8455 2462.1614 0.0000 0.0000 51845.0726 -109644.8535 297.9543 -161489.9261 -109280.6812 299.3912 25.0748 47.8211 763114.0933 -7.6564 -7.5067 PRESSURE: 3630600 5.15887 156.515 -87.1276 156.515 -54.791 -147.755 -87.1283 -147.755 -299.734 GPRESSURE: 3630600 -51.3601 154.534 -121.471 101.299 46.0449 -254.673 -99.692 -211.895 -287.005 PRESSAVG: 3630600 -8.83302 44.2763 31.1358 44.2763 32.1393 -5.1357 31.1357 -5.13577 24.9308 GPRESSAVG: 3630600 -8.39438 44.2449 31.9634 45.9964 32.1578 -6.73949 30.4244 -6.26193 24.1177 TIMING: 3630600 CPU: 11476.2, 0.00322043/step Wall: 11476.2, 0.00322043/step, 1.22502 hours remaining, 239.570312 MB of memory in use. ENERGY: 3630600 3927.7831 20493.0935 14495.9255 239.6903 -203110.4252 2532.2009 0.0000 0.0000 51953.0694 -109468.6625 298.5750 -161421.7319 -109105.3224 299.2323 -116.4553 -97.4399 762034.3725 16.0790 15.9604 PRESSURE: 3630800 -38.9754 -62.779 -133.121 -62.7795 8.57982 -117.829 -133.121 -117.83 82.7158 GPRESSURE: 3630800 8.4283 -81.4788 -188.313 -72.3967 28.1341 -106.275 1.6019 -113.1 77.0951 PRESSAVG: 3630800 7.70831 -45.5779 1.69823 -45.5779 -17.7121 -17.9625 1.69822 -17.9625 0.98858 GPRESSAVG: 3630800 7.01429 -43.7737 1.92509 -47.4223 -17.307 -18.313 3.02928 -17.9542 0.628155 TIMING: 3630800 CPU: 11476.8, 0.00321933/step Wall: 11476.8, 0.00321933/step, 1.22442 hours remaining, 239.570312 MB of memory in use. ENERGY: 3630800 4032.3620 20518.9053 14457.1317 251.2370 -203354.1735 2557.2722 0.0000 0.0000 51927.7798 -109609.4855 298.4297 -161537.2653 -109253.0264 299.0465 17.4401 37.8858 761120.1489 -3.0051 -3.2215 PRESSURE: 3631000 -229.402 -120.889 210.15 -120.889 100.891 78.9168 210.15 78.917 -213.176 GPRESSURE: 3631000 -167.027 -30.1755 153.778 -186.804 55.372 73.4464 105.177 41.9378 -145.164 PRESSAVG: 3631000 24.7772 -13.2134 45.1903 -13.2133 -13.5961 56.3152 45.1902 56.3152 27.4281 GPRESSAVG: 3631000 25.327 -13.5412 45.4478 -13.7288 -15.0583 57.2449 42.4402 54.2829 28.1899 TIMING: 3631000 CPU: 11477.5, 0.00321402/step Wall: 11477.5, 0.00321402/step, 1.22222 hours remaining, 239.570312 MB of memory in use. ENERGY: 3631000 4016.9513 20489.0584 14471.7012 257.3934 -203325.3499 2527.7299 0.0000 0.0000 51920.7789 -109641.7368 298.3894 -161562.5157 -109277.1546 298.7679 -113.8957 -85.6064 760781.1337 12.8697 12.8195 PRESSURE: 3631200 226.539 -100.75 63.5899 -100.751 -230.217 -127.478 63.5901 -127.479 -294.271 GPRESSURE: 3631200 289.414 -119.931 56.6129 -40.419 -234.75 -116.359 112.328 -38.668 -263.144 PRESSAVG: 3631200 72.0487 -38.8433 29.4225 -38.8433 -43.1404 -49.3813 29.4224 -49.3813 11.0584 GPRESSAVG: 3631200 73.7348 -39.0332 28.6275 -38.8054 -42.0803 -48.9843 30.7548 -46.798 8.72627 TIMING: 3631200 CPU: 11478.1, 0.00322617/step Wall: 11478.1, 0.00322617/step, 1.22666 hours remaining, 239.570312 MB of memory in use. ENERGY: 3631200 3944.9899 20430.3606 14443.5354 239.2162 -203353.0677 2595.3306 0.0000 0.0000 52164.8672 -109534.7678 299.7922 -161699.6350 -109169.3315 298.8675 -99.3163 -69.4933 760741.7635 13.3223 13.4603 PRESSURE: 3631400 66.0351 -13.6892 54.4336 -13.6892 237.765 -109.122 54.4339 -109.12 -191.153 GPRESSURE: 3631400 113.224 -51.9553 63.2245 34.4594 234.161 -25.1022 5.38523 28.5443 -166.168 PRESSAVG: 3631400 35.5119 -33.738 69.0744 -33.738 -40.7456 19.4225 69.0744 19.4225 -0.532055 GPRESSAVG: 3631400 33.8132 -34.2595 69.0787 -30.9931 -39.7238 19.0959 69.3898 18.8613 0.262662 TIMING: 3631400 CPU: 11478.8, 0.00321803/step Wall: 11478.8, 0.00321803/step, 1.22339 hours remaining, 239.570312 MB of memory in use. ENERGY: 3631400 4010.2570 20569.0276 14470.6189 226.0924 -203233.1227 2534.7839 0.0000 0.0000 51695.6989 -109726.6441 297.0959 -161422.3430 -109372.8030 298.8889 37.5491 60.4059 761305.3022 -1.9219 -1.8827 PRESSURE: 3631600 81.1382 -62.4703 -27.5437 -62.4716 257.631 30.7 -27.5432 30.7004 248.326 GPRESSURE: 3631600 135.603 -74.445 31.5643 -108.861 287.211 35.5563 48.6077 97.3359 248.941 PRESSAVG: 3631600 -25.6192 4.18034 35.3356 4.18042 11.4798 23.929 35.3356 23.929 5.42208 GPRESSAVG: 3631600 -26.3531 4.83623 36.3519 1.91506 11.7268 22.7754 36.2487 24.5108 6.02671 TIMING: 3631600 CPU: 11479.4, 0.00324907/step Wall: 11479.4, 0.00324907/step, 1.23501 hours remaining, 239.570312 MB of memory in use. ENERGY: 3631600 3988.5708 20376.5688 14439.1414 243.0478 -203715.3152 2790.7544 0.0000 0.0000 52240.7735 -109636.4585 300.2284 -161877.2320 -109274.5799 298.7765 195.6983 223.9183 759578.7788 -2.9058 -2.8665 PRESSURE: 3631800 138.293 -111.475 -12.6204 -111.475 -182.097 -83.2385 -12.6204 -83.2387 44.2225 GPRESSURE: 3631800 96.9215 -113.204 -29.9014 46.4952 -112.431 -3.57423 58.9186 -98.7725 97.9535 PRESSAVG: 3631800 7.32221 41.8296 79.5053 41.8295 -16.1102 12.5516 79.5053 12.5515 -6.14103 GPRESSAVG: 3631800 8.29415 42.5677 78.7182 44.3646 -17.4832 13.7831 78.9646 12.8964 -5.71413 TIMING: 3631800 CPU: 11480.1, 0.00321483/step Wall: 11480.1, 0.00321483/step, 1.22181 hours remaining, 239.570312 MB of memory in use. ENERGY: 3631800 3867.0209 20567.1185 14482.7715 240.3965 -203696.9211 2658.7571 0.0000 0.0000 51997.7702 -109883.0864 298.8319 -161880.8566 -109514.4572 298.4980 0.1394 27.4812 760378.1125 -4.9764 -4.9677 PRESSURE: 3632000 -148.997 -25.3737 96.4767 -25.3738 -185.048 -92.2037 96.4776 -92.2019 407.172 GPRESSURE: 3632000 -95.2429 -54.7245 86.4283 -136.662 -199.465 -109.782 70.5696 -37.2179 452.095 PRESSAVG: 3632000 2.88471 17.4959 29.6895 17.4959 16.6838 36.3042 29.6895 36.3043 -1.56839 GPRESSAVG: 3632000 2.51137 16.1264 31.1525 14.5724 17.9678 35.3527 27.2679 33.4762 -2.25614 TIMING: 3632000 CPU: 11480.7, 0.00322905/step Wall: 11480.7, 0.00322905/step, 1.22704 hours remaining, 239.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3632000 3965.0861 20449.0253 14471.7236 236.7417 -203610.7015 2786.9315 0.0000 0.0000 51895.9826 -109805.2106 298.2469 -161701.1932 -109443.5692 298.3796 24.3759 52.4625 762722.3492 6.0000 6.0744 PRESSURE: 3632200 -202.844 38.3662 142.573 38.3654 -100.361 86.4858 142.573 86.4856 -121.567 GPRESSURE: 3632200 -188.628 3.76952 156.355 34.0067 -37.0297 123.263 211.257 39.213 -121.727 PRESSAVG: 3632200 2.87633 1.86031 32.2411 1.86034 -10.0825 19.3049 32.241 19.3048 19.109 GPRESSAVG: 3632200 2.18045 -0.637734 32.2142 4.1594 -9.83465 18.9519 34.5583 21.0133 19.5376 TIMING: 3632200 CPU: 11481.4, 0.00323735/step Wall: 11481.4, 0.00323735/step, 1.23001 hours remaining, 239.570312 MB of memory in use. ENERGY: 3632200 3962.9540 20593.3729 14432.3704 259.0883 -203196.0986 2578.5758 0.0000 0.0000 51706.2774 -109663.4600 297.1567 -161369.7373 -109304.5192 298.0517 -141.5907 -115.7951 762329.5081 3.9676 3.9611 LDB: ============= START OF LOAD BALANCING ============== 11493.8 LDB: ============== END OF LOAD BALANCING =============== 11493.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11493.8 LDB: ============= START OF LOAD BALANCING ============== 11494.1 LDB: Largest compute 7033 load 0.034254 is 17.5% of average load 0.196098 LDB: Average compute 0.004398 is 2.2% of average load 0.196098 LDB: TIME 11494.1 LOAD: AVG 0.196098 MAX 0.216208 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 11494.1 LOAD: AVG 0.196098 MAX 0.216208 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 11494.1 LOAD: AVG 0.196098 MAX 0.216208 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11494.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11494.1 PRESSURE: 3632400 263.185 -55.4307 -166.051 -55.4321 -42.8568 -66.7793 -166.051 -66.7788 -1.1407 GPRESSURE: 3632400 244.153 -56.5622 -116.238 -73.0299 -52.0491 -52.3028 -165.712 -115.006 105.435 PRESSAVG: 3632400 9.71767 -13.539 -37.3701 -13.539 7.18 40.3875 -37.37 40.3874 -4.23991 GPRESSAVG: 3632400 9.53363 -10.7987 -39.7785 -15.5287 7.10144 41.6844 -34.146 39.3601 -4.00651 TIMING: 3632400 CPU: 11482, 0.00326381/step Wall: 11482, 0.00326381/step, 1.23988 hours remaining, 238.414062 MB of memory in use. ENERGY: 3632400 3944.2698 20593.5112 14396.4420 235.4579 -203698.5039 2634.1388 0.0000 0.0000 52214.8029 -109679.8814 300.0792 -161894.6843 -109315.3525 298.4546 73.0627 99.1794 760945.5189 4.2193 4.2095 PRESSURE: 3632600 -212.027 -44.5086 -10.6353 -44.5096 51.242 42.2851 -10.6349 42.2848 -71.6054 GPRESSURE: 3632600 -263.837 -111.802 -8.54143 0.388978 95.2509 99.8068 -133.089 -87.6096 11.9536 PRESSAVG: 3632600 -49.851 22.3008 56.6468 22.3008 49.7037 70.9028 56.6468 70.9028 37.2869 GPRESSAVG: 3632600 -48.7425 21.9461 59.942 23.3058 47.9416 71.5512 51.4704 70.2697 37.7858 TIMING: 3632600 CPU: 11482.7, 0.0032157/step Wall: 11482.7, 0.0032157/step, 1.22143 hours remaining, 238.414062 MB of memory in use. ENERGY: 3632600 4043.8632 20501.1784 14509.5122 249.0037 -203746.6614 2750.5905 0.0000 0.0000 51898.2204 -109794.2929 298.2598 -161692.5133 -109438.1114 298.4682 -77.4636 -52.2108 762241.9334 12.3799 12.3283 PRESSURE: 3632800 -131.258 20.0906 146.461 20.0905 -146.055 210.244 146.461 210.244 -162.094 GPRESSURE: 3632800 -152.27 32.1114 135.652 9.90007 -40.5682 175.712 134.703 177.937 -163.76 PRESSAVG: 3632800 6.46776 38.8414 33.429 38.8415 -3.39092 43.2207 33.429 43.2206 -8.36797 GPRESSAVG: 3632800 5.89105 38.5724 30.5707 40.183 -2.67049 41.7217 33.4094 46.3309 -9.29044 TIMING: 3632800 CPU: 11483.3, 0.00317544/step Wall: 11483.3, 0.00317544/step, 1.20596 hours remaining, 238.414062 MB of memory in use. ENERGY: 3632800 4006.9916 20670.7271 14500.6583 235.9683 -203616.9940 2594.8732 0.0000 0.0000 51852.8282 -109754.9473 297.9989 -161607.7755 -109402.9439 298.0682 -146.4692 -118.8659 761518.0070 -1.7637 -2.0233 PRESSURE: 3633000 387.196 -93.6832 160.181 -93.6828 -249.152 -2.84711 160.181 -2.84674 181.947 GPRESSURE: 3633000 354.189 -4.62151 186.716 -72.7397 -222.338 -71.1848 94.1929 -35.3301 266.049 PRESSAVG: 3633000 30.7364 56.209 -17.7124 56.2091 33.8966 26.4022 -17.7124 26.4021 1.18343 GPRESSAVG: 3633000 30.252 54.7273 -19.9981 55.9498 34.3745 26.2519 -14.0187 25.5097 1.35637 TIMING: 3633000 CPU: 11483.9, 0.00317193/step Wall: 11483.9, 0.00317193/step, 1.20445 hours remaining, 238.414062 MB of memory in use. ENERGY: 3633000 3930.2144 20578.7613 14586.2679 244.8317 -203648.7599 2645.6130 0.0000 0.0000 51800.4212 -109862.6503 297.6977 -161663.0716 -109496.1175 298.1995 106.6638 132.6331 760299.3153 21.9388 21.9943 PRESSURE: 3633200 314.212 10.7961 47.7035 10.7959 210.399 215.741 47.7035 215.741 -224.852 GPRESSURE: 3633200 339.47 54.8953 61.3323 32.7309 244.577 182.384 71.8471 107.266 -205.791 PRESSAVG: 3633200 65.8209 -17.2389 9.06167 -17.2388 -49.4812 32.4883 9.06166 32.4883 12.4498 GPRESSAVG: 3633200 65.5289 -15.5147 11.4723 -18.7242 -48.6246 32.6995 8.09132 31.921 12.6898 TIMING: 3633200 CPU: 11484.6, 0.00318228/step Wall: 11484.6, 0.00318228/step, 1.2082 hours remaining, 238.414062 MB of memory in use. ENERGY: 3633200 4084.0148 20564.2033 14539.4793 242.6985 -203666.8336 2785.8230 0.0000 0.0000 52063.2406 -109387.3743 299.2082 -161450.6149 -109026.1831 298.4314 99.9194 126.0854 761302.1074 9.5965 9.8647 PRESSURE: 3633400 166.132 -56.8228 -126.976 -56.8227 -134.07 -23.7788 -126.976 -23.7786 229.082 GPRESSURE: 3633400 224.947 -124.566 -113.322 -93.2563 -72.9142 -1.80085 -50.159 -40.907 191.128 PRESSAVG: 3633400 48.737 4.91261 24.5943 4.91266 -24.764 16.8577 24.5943 16.8577 -2.53278 GPRESSAVG: 3633400 50.4056 5.48506 25.5613 3.54395 -25.3672 17.2447 23.1375 17.6438 -3.42517 TIMING: 3633400 CPU: 11485.2, 0.00317788/step Wall: 11485.2, 0.00317788/step, 1.20636 hours remaining, 238.414062 MB of memory in use. ENERGY: 3633400 3979.9253 20680.8192 14494.4341 235.6726 -203313.4038 2555.7995 0.0000 0.0000 51912.8791 -109453.8739 298.3440 -161366.7531 -109100.8076 299.1509 87.0482 114.3870 760598.8958 7.1467 7.2044 PRESSURE: 3633600 331.462 90.9488 288.379 90.9492 33.2602 -25.373 288.379 -25.3732 270.427 GPRESSURE: 3633600 360.261 -22.8663 332.895 173.154 128.629 -19.8719 278.389 105.471 256.125 PRESSAVG: 3633600 -2.20482 25.505 24.2526 25.5051 -30.9134 7.78934 24.2526 7.78934 15.125 GPRESSAVG: 3633600 -2.77514 22.2243 24.7735 29.4917 -30.4206 8.73627 26.2933 6.58761 15.3512 TIMING: 3633600 CPU: 11485.8, 0.00317602/step Wall: 11485.8, 0.00317602/step, 1.20548 hours remaining, 238.414062 MB of memory in use. ENERGY: 3633600 3908.0591 20607.0254 14566.5165 248.9782 -203421.7145 2829.3381 0.0000 0.0000 51832.5312 -109429.2659 297.8823 -161261.7971 -109067.6379 299.1276 211.7162 248.3384 762035.6655 -5.9977 -5.9482 PRESSURE: 3633800 -379.676 131.392 340.783 131.393 -351.153 57.2004 340.783 57.2014 64.1875 GPRESSURE: 3633800 -211.925 83.298 264.33 116.184 -347.808 47.1045 231.529 59.0896 -13.7011 PRESSAVG: 3633800 -18.2898 -31.5737 42.7225 -31.5737 33.3141 -34.5172 42.7225 -34.5172 -10.6454 GPRESSAVG: 3633800 -16.8023 -29.2358 42.2573 -32.7466 31.6495 -34.2598 41.7178 -36.0854 -10.7091 TIMING: 3633800 CPU: 11486.5, 0.0032385/step Wall: 11486.5, 0.0032385/step, 1.22901 hours remaining, 238.414062 MB of memory in use. ENERGY: 3633800 3904.4132 20441.5074 14492.1321 260.3789 -203215.9692 2389.7502 0.0000 0.0000 52003.1446 -109724.6427 298.8628 -161727.7874 -109353.7720 299.1347 -222.2140 -191.1446 762142.6583 1.4596 1.3794 PRESSURE: 3634000 -100.346 68.3909 126.947 68.3911 71.4816 -342.541 126.948 -342.541 -288.706 GPRESSURE: 3634000 -61.8172 165.645 149.721 -32.574 93.5521 -435.845 69.7082 -299.611 -254.476 PRESSAVG: 3634000 -41.2058 27.8219 13.2702 27.8219 62.2589 -3.52838 13.2701 -3.52837 -3.58142 GPRESSAVG: 3634000 -41.1702 28.3258 12.7646 26.0526 61.7465 -6.72622 11.6907 -0.575962 -2.31323 TIMING: 3634000 CPU: 11487.1, 0.00321692/step Wall: 11487.1, 0.00321692/step, 1.22064 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3634000 3918.5243 20534.6513 14492.7423 228.8963 -203715.0686 2728.1495 0.0000 0.0000 51959.9742 -109852.1306 298.6147 -161812.1049 -109489.2575 298.1942 -105.8567 -74.2470 761537.6265 5.8239 6.0877 PRESSURE: 3634200 -131.677 -153.185 13.1058 -153.185 -126.469 -8.2226 13.105 -8.22089 95.4394 GPRESSURE: 3634200 -195.024 -278.244 92.9631 -121.545 10.2897 2.55894 46.9772 35.1997 102.852 PRESSAVG: 3634200 29.8183 -8.31819 53.7338 -8.31821 29.3599 15.0009 53.7338 15.001 -12.706 GPRESSAVG: 3634200 28.4794 -10.3103 54.2918 -6.77007 29.6869 16.2112 54.036 16.7631 -11.4706 TIMING: 3634200 CPU: 11487.8, 0.00317056/step Wall: 11487.8, 0.00317056/step, 1.20287 hours remaining, 238.414062 MB of memory in use. ENERGY: 3634200 3929.7748 20370.0116 14457.9586 214.3756 -203649.9073 2776.8785 0.0000 0.0000 52080.3754 -109820.5328 299.3066 -161900.9082 -109452.7996 298.4410 -54.2355 -27.2942 760387.8579 15.4908 15.5652 PRESSURE: 3634400 85.9938 -44.4949 -133.147 -44.4939 -155.062 -25.1065 -133.147 -25.1056 68.7622 GPRESSURE: 3634400 154.845 -31.1882 -117.039 -85.8827 -70.6224 -10.7029 -18.9959 -80.5761 -0.697045 PRESSAVG: 3634400 -24.7881 -67.219 56.9249 -67.219 13.2779 46.5376 56.9249 46.5376 -2.52438 GPRESSAVG: 3634400 -23.6049 -66.879 55.5494 -67.5295 13.5026 47.2275 59.347 42.4999 -4.07589 TIMING: 3634400 CPU: 11488.4, 0.00316116/step Wall: 11488.4, 0.00316116/step, 1.19913 hours remaining, 238.414062 MB of memory in use. ENERGY: 3634400 3959.6522 20469.4641 14526.9642 249.7227 -203163.7541 2470.3213 0.0000 0.0000 51793.8045 -109693.8251 297.6597 -161487.6296 -109327.9337 298.5632 -0.1019 27.8417 762189.6662 -4.6782 -4.7261 PRESSURE: 3634600 11.8599 -38.7177 -45.6581 -38.7168 -104.818 -45.0968 -45.6584 -45.0982 251.966 GPRESSURE: 3634600 105.966 -2.84756 -61.869 -118.547 -58.0707 -32.9424 -19.5489 -71.2476 206.871 PRESSAVG: 3634600 -12.7911 -31.0381 -25.6983 -31.0381 -28.5335 28.7722 -25.6983 28.7721 10.359 GPRESSAVG: 3634600 -12.4122 -30.4723 -24.546 -31.6836 -28.6509 27.9961 -29.7162 31.3155 10.4903 TIMING: 3634600 CPU: 11489, 0.00315924/step Wall: 11489, 0.00315924/step, 1.19823 hours remaining, 238.414062 MB of memory in use. ENERGY: 3634600 4024.2469 20534.0628 14562.1830 253.3693 -204028.9362 2920.9190 0.0000 0.0000 52086.1757 -109647.9796 299.3400 -161734.1553 -109287.6051 298.3854 53.0027 84.9222 761075.9693 -10.3219 -10.1909 PRESSURE: 3634800 -224.597 -71.2179 69.0868 -71.218 -151.053 -72.8678 69.0874 -72.8669 374.585 GPRESSURE: 3634800 -186.218 -114.513 29.5432 -74.5869 -123.119 -85.456 -18.6964 -140.46 393.309 PRESSAVG: 3634800 -23.6205 4.25158 59.4689 4.25159 -10.0176 20.3511 59.4689 20.351 -11.3216 GPRESSAVG: 3634800 -25.2835 4.78206 57.508 2.16559 -9.04475 21.6599 61.4354 19.6214 -10.2378 TIMING: 3634800 CPU: 11489.6, 0.00314109/step Wall: 11489.6, 0.00314109/step, 1.19117 hours remaining, 238.414062 MB of memory in use. ENERGY: 3634800 4026.8397 20595.5366 14471.3188 248.8130 -203810.6533 2993.9010 0.0000 0.0000 51862.8268 -109611.4173 298.0564 -161474.2441 -109258.5016 298.3375 -0.3551 27.9910 761566.7623 -14.9866 -14.8553 PRESSURE: 3635000 -289.802 -78.4973 165.097 -78.497 -31.9281 -235.301 165.099 -235.302 102.882 GPRESSURE: 3635000 -197.97 -44.1727 132.813 -40.3619 -22.3047 -271.27 188.699 -85.9788 64.9622 PRESSAVG: 3635000 -43.0035 -2.08138 24.7627 -2.08129 11.1923 -24.9524 24.7627 -24.9523 4.46384 GPRESSAVG: 3635000 -42.6075 -2.20329 26.964 -0.183838 10.981 -26.3878 25.1776 -22.45 4.66089 TIMING: 3635000 CPU: 11490.3, 0.0031562/step Wall: 11490.3, 0.0031562/step, 1.19673 hours remaining, 238.414062 MB of memory in use. ENERGY: 3635000 4030.5365 20643.8164 14392.0569 263.7816 -203442.4048 2651.8273 0.0000 0.0000 51927.7893 -109532.5968 298.4297 -161460.3862 -109163.6485 298.4963 -72.9494 -51.7710 762610.3004 -9.1158 -8.9885 PRESSURE: 3635200 138.795 52.3745 178.459 52.3743 210.904 42.2261 178.459 42.2254 372.219 GPRESSURE: 3635200 232.675 27.8652 180.178 19.8021 158.535 20.5116 57.8257 38.1418 409.34 PRESSAVG: 3635200 -40.4297 -47.082 30.2304 -47.082 13.3684 -52.9344 30.2305 -52.9344 0.199064 GPRESSAVG: 3635200 -40.0751 -46.3915 30.0928 -48.2625 14.2025 -51.7592 29.4308 -54.9632 -1.0187 TIMING: 3635200 CPU: 11490.9, 0.00316996/step Wall: 11490.9, 0.00316996/step, 1.20177 hours remaining, 238.414062 MB of memory in use. ENERGY: 3635200 4014.0008 20535.1666 14451.4812 261.6955 -203619.3687 2718.6118 0.0000 0.0000 51945.3398 -109693.0730 298.5306 -161638.4128 -109338.6729 298.4172 240.6393 266.8501 760959.0610 -8.9541 -8.9638 PRESSURE: 3635400 -78.2904 140.558 36.3554 140.559 -169.078 181.937 36.3554 181.936 160.124 GPRESSURE: 3635400 -35.889 100.859 104.478 32.9773 -122.272 102.161 22.9844 236.383 162.348 PRESSAVG: 3635400 -40.9352 31.0166 -51.5298 31.0166 21.9598 47.8333 -51.5298 47.8333 -2.11025 GPRESSAVG: 3635400 -39.9659 30.414 -52.5995 30.0158 20.5001 48.9314 -52.1192 46.1581 -1.52838 TIMING: 3635400 CPU: 11491.5, 0.0031749/step Wall: 11491.5, 0.0031749/step, 1.20346 hours remaining, 238.414062 MB of memory in use. ENERGY: 3635400 3917.5049 20550.6461 14488.0663 259.3925 -203467.4911 2522.0260 0.0000 0.0000 52175.9147 -109553.9406 299.8557 -161729.8553 -109184.6026 298.9393 -29.0814 1.3957 760527.6323 -7.0286 -6.9981 PRESSURE: 3635600 195.802 -65.4892 -268.528 -65.4893 -138.883 231.54 -268.528 231.541 -32.8863 GPRESSURE: 3635600 183.393 -97.7179 -334.412 -23.2394 -61.8149 192.346 -184.636 204.021 -9.26907 PRESSAVG: 3635600 4.06284 23.0035 -73.5846 23.0036 -4.38758 -8.85321 -73.5845 -8.8532 -16.916 GPRESSAVG: 3635600 3.23359 20.6377 -74.5661 25.986 -3.72567 -11.5288 -71.9475 -8.04944 -16.4091 TIMING: 3635600 CPU: 11492.2, 0.00316169/step Wall: 11492.2, 0.00316169/step, 1.19828 hours remaining, 238.414062 MB of memory in use. ENERGY: 3635600 3955.3907 20577.9184 14469.1267 232.8019 -203818.4217 3001.0319 0.0000 0.0000 52060.2186 -109521.9336 299.1908 -161582.1521 -109159.1485 298.8534 8.0108 37.4364 761468.6303 -5.7469 -5.6337 PRESSURE: 3635800 21.8018 -153.805 -136.68 -153.805 -60.4589 -205.778 -136.68 -205.779 -28.8684 GPRESSURE: 3635800 62.7099 -36.191 -131.565 -180.087 -110.718 -223.539 -241.758 -135.991 72.9174 PRESSAVG: 3635800 -76.7103 12.3373 -32.252 12.3373 21.6632 -30.2092 -32.252 -30.2092 0.120329 GPRESSAVG: 3635800 -76.5611 14.4377 -32.3121 11.0674 20.7297 -28.0641 -29.663 -28.8029 0.4963 TIMING: 3635800 CPU: 11492.8, 0.00316394/step Wall: 11492.8, 0.00316394/step, 1.19896 hours remaining, 238.414062 MB of memory in use. ENERGY: 3635800 4022.5565 20672.9191 14472.0484 239.1477 -203674.8565 2937.0043 0.0000 0.0000 51766.4825 -109564.6981 297.5027 -161331.1806 -109221.2566 298.6766 -22.5085 8.3030 761676.9300 -18.3089 -18.4451 PRESSURE: 3636000 -195.308 117.888 68.5844 117.887 -86.0796 172.421 68.5844 172.421 165.826 GPRESSURE: 3636000 -149.41 128.727 78.1297 91.704 -66.378 118.298 -13.5304 214.561 173.973 PRESSAVG: 3636000 -47.3928 6.32589 -47.7917 6.32593 50.1068 5.36738 -47.7918 5.3675 10.9948 GPRESSAVG: 3636000 -46.5012 6.33789 -47.884 5.6691 50.3804 5.12906 -51.3079 4.77553 10.5237 TIMING: 3636000 CPU: 11493.4, 0.00316143/step Wall: 11493.4, 0.00316143/step, 1.19783 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3636000 4083.5451 20619.1292 14449.6472 256.2135 -203039.7515 2563.3876 0.0000 0.0000 51874.8193 -109193.0096 298.1253 -161067.8289 -108834.3615 299.4600 -38.5205 -13.9383 764088.8742 4.5696 4.8010 PRESSURE: 3636200 370.71 -13.4351 13.5057 -13.4345 -95.0682 -226.177 13.5065 -226.177 -26.4815 GPRESSURE: 3636200 343.03 22.7833 -83.5311 133.06 18.9069 -239.702 -53.2461 -281.35 -50.5976 PRESSAVG: 3636200 -38.2035 -26.3293 -47.0374 -26.3293 -2.20289 29.5309 -47.0374 29.5309 7.72294 GPRESSAVG: 3636200 -39.5292 -26.2792 -46.8997 -24.4039 -1.18408 27.7242 -47.375 30.22 7.63191 TIMING: 3636200 CPU: 11494.1, 0.00318395/step Wall: 11494.1, 0.00318395/step, 1.20619 hours remaining, 238.414062 MB of memory in use. ENERGY: 3636200 4035.9897 20529.0185 14495.1843 247.8003 -203724.1619 2831.7646 0.0000 0.0000 52298.1609 -109286.2436 300.5582 -161584.4045 -108909.4758 299.5183 83.0533 103.7799 763512.8043 -10.8945 -11.0271 LDB: ============= START OF LOAD BALANCING ============== 11506.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11506.5 LDB: =============== DONE WITH MIGRATION ================ 11506.5 LDB: ============= START OF LOAD BALANCING ============== 11506.8 LDB: Largest compute 7034 load 0.034454 is 17.6% of average load 0.196016 LDB: Average compute 0.004403 is 2.2% of average load 0.196016 LDB: TIME 11506.8 LOAD: AVG 0.196016 MAX 0.21596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.898 MB LDB: TIME 11506.8 LOAD: AVG 0.196016 MAX 0.21596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.965 MB LDB: TIME 11506.8 LOAD: AVG 0.196016 MAX 0.21596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.965 MB LDB: ============== END OF LOAD BALANCING =============== 11506.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11506.8 PRESSURE: 3636400 260.395 -140.712 -0.454706 -140.712 318.517 -57.3992 -0.454254 -57.3986 101.646 GPRESSURE: 3636400 393.294 -143.131 -9.84964 -158.522 262.399 -68.021 -24.8973 -151.532 119.672 PRESSAVG: 3636400 4.34991 -34.234 -24.1144 -34.234 -20.7574 -5.35897 -24.1145 -5.35891 14.0452 GPRESSAVG: 3636400 5.19104 -35.1241 -22.9675 -33.8608 -22.2748 -3.5387 -22.8207 -5.64032 14.4184 TIMING: 3636400 CPU: 11494.7, 0.00326365/step Wall: 11494.7, 0.00326365/step, 1.2362 hours remaining, 237.332031 MB of memory in use. ENERGY: 3636400 3967.4752 20655.5609 14487.0070 236.4201 -203251.7183 2752.0042 0.0000 0.0000 51911.4953 -109241.7558 298.3361 -161153.2511 -108894.0091 298.8911 226.8527 258.4549 761685.7284 -0.7874 -0.8884 PRESSURE: 3636600 -702.243 -14.6292 247.284 -14.6299 -287.905 -198.796 247.284 -198.797 -102.861 GPRESSURE: 3636600 -700.196 18.1483 182.466 42.0017 -226.968 -209.624 94.4932 -32.807 -74.0402 PRESSAVG: 3636600 -92.5179 -12.092 -17.3487 -12.092 46.0987 -12.8281 -17.3487 -12.8281 6.80137 GPRESSAVG: 3636600 -93.0646 -14.0166 -17.6999 -11.9512 46.5763 -13.9834 -17.434 -13.8787 6.66398 TIMING: 3636600 CPU: 11495.4, 0.00314529/step Wall: 11495.4, 0.00314529/step, 1.19119 hours remaining, 237.332031 MB of memory in use. ENERGY: 3636600 3924.4212 20632.8005 14440.1966 248.7712 -203179.6001 2481.3376 0.0000 0.0000 51988.8713 -109463.2017 298.7808 -161452.0729 -109095.7425 299.2670 -364.3363 -333.7345 763660.0689 -13.2059 -13.2748 PRESSURE: 3636800 -31.954 108.451 -246.704 108.451 -163.734 150.426 -246.705 150.428 -391.445 GPRESSURE: 3636800 -47.9154 128.66 -194.529 95.5696 -96.3309 146.46 -304.913 189.179 -351.945 PRESSAVG: 3636800 -55.2451 -36.8113 1.75274 -36.8114 59.7271 -9.85966 1.75276 -9.85967 31.321 GPRESSAVG: 3636800 -54.8584 -33.5687 0.863493 -37.5951 58.6909 -8.36821 2.72425 -9.73964 31.7223 TIMING: 3636800 CPU: 11496, 0.00316776/step Wall: 11496, 0.00316776/step, 1.19953 hours remaining, 237.332031 MB of memory in use. ENERGY: 3636800 3989.9121 20666.9986 14437.4551 238.2204 -203570.5742 2759.4404 0.0000 0.0000 52229.9222 -109248.6253 300.1661 -161478.5475 -108891.1110 299.4172 -195.7109 -165.3970 762759.9932 11.9343 11.8516 PRESSURE: 3637000 -204.292 -1.5596 4.56922 -1.55852 -287.932 131.287 4.56956 131.288 -636.852 GPRESSURE: 3637000 -272.493 -12.8208 -63.6382 -116.382 -188.061 224.973 14.8337 131.004 -579.041 PRESSAVG: 3637000 -68.8961 -0.677065 -41.5075 -0.677086 64.2651 -5.3465 -41.5075 -5.3465 9.55932 GPRESSAVG: 3637000 -69.7006 -1.42075 -40.4175 -2.8128 65.7379 -7.24884 -42.5866 -3.12436 9.4202 TIMING: 3637000 CPU: 11496.6, 0.00320028/step Wall: 11496.6, 0.00320028/step, 1.21166 hours remaining, 237.332031 MB of memory in use. ENERGY: 3637000 4033.8229 20546.5449 14445.7810 250.0399 -203752.0745 2816.2685 0.0000 0.0000 52221.3883 -109438.2290 300.1170 -161659.6173 -109078.0356 299.4007 -376.3585 -346.5314 762616.1335 1.6428 1.8192 PRESSURE: 3637200 126.703 33.642 -252.299 33.6423 426.902 364.945 -252.299 364.945 -178.143 GPRESSURE: 3637200 128.16 121.802 -175.821 27.7097 387.846 204.958 -186.988 326.5 -76.6824 PRESSAVG: 3637200 -40.22 18.5383 -26.3916 18.5384 49.1267 -18.1305 -26.3917 -18.1304 -1.1258 GPRESSAVG: 3637200 -38.3168 19.9296 -26.0552 19.7078 47.8176 -17.4935 -25.1563 -18.7403 -1.34039 TIMING: 3637200 CPU: 11497.3, 0.00320338/step Wall: 11497.3, 0.00320338/step, 1.21266 hours remaining, 237.332031 MB of memory in use. ENERGY: 3637200 4035.1306 20722.8796 14407.4965 261.8972 -204033.0053 2944.7286 0.0000 0.0000 52150.8980 -109509.9748 299.7119 -161660.8729 -109148.8775 299.0667 125.1540 146.4411 760433.5490 2.5937 2.7201 PRESSURE: 3637400 39.6847 59.4618 58.3316 59.4621 13.8901 -63.6896 58.3321 -63.689 -407.9 GPRESSURE: 3637400 13.7441 19.0789 149.058 102.679 31.0264 55.8147 -11.8279 -56.9917 -320.739 PRESSAVG: 3637400 -48.5021 32.7875 -38.9017 32.7875 46.8867 31.5559 -38.9018 31.556 9.46253 GPRESSAVG: 3637400 -50.8189 32.036 -38.106 34.6016 48.2435 31.1632 -40.9504 30.5429 9.84343 TIMING: 3637400 CPU: 11497.9, 0.00318833/step Wall: 11497.9, 0.00318833/step, 1.20678 hours remaining, 237.332031 MB of memory in use. ENERGY: 3637400 3985.8778 20534.7405 14553.6257 232.7545 -203466.1195 2750.1228 0.0000 0.0000 51902.6280 -109506.3702 298.2851 -161408.9982 -109142.4157 299.0043 -118.1083 -91.9894 762196.5088 2.6157 2.4227 PRESSURE: 3637600 206.659 168.926 27.779 168.926 -159.003 34.2886 27.7793 34.289 31.6268 GPRESSURE: 3637600 242.867 168.401 60.9217 85.7125 -159.169 93.322 33.8375 105.628 79.8554 PRESSAVG: 3637600 7.28467 -5.67603 46.3194 -5.676 -7.62025 4.62648 46.3193 4.62646 -18.1213 GPRESSAVG: 3637600 7.91698 -7.97581 45.2009 -7.64703 -7.49536 5.4844 46.8872 3.05261 -18.5616 TIMING: 3637600 CPU: 11498.6, 0.00320086/step Wall: 11498.6, 0.00320086/step, 1.21135 hours remaining, 237.332031 MB of memory in use. ENERGY: 3637600 3992.8415 20439.2755 14521.3162 255.0767 -203658.9403 2940.1819 0.0000 0.0000 52144.9124 -109365.3361 299.6775 -161510.2485 -108999.0610 299.4667 26.4276 54.5176 763144.7977 -6.1523 -6.0467 PRESSURE: 3637800 -357.393 145.862 -113.747 145.863 -191.83 1.53025 -113.748 1.53041 -171.803 GPRESSURE: 3637800 -361.278 -36.4469 -208.486 115.954 -95.9501 -6.1261 -210.975 33.5781 -152.661 PRESSAVG: 3637800 -3.58684 21.1027 -29.5094 21.1027 -10.3658 9.46094 -29.5094 9.46091 -10.3521 GPRESSAVG: 3637800 -2.09922 20.8272 -31.3994 21.2807 -11.8682 9.07596 -29.736 10.9544 -10.0422 TIMING: 3637800 CPU: 11499.2, 0.00319443/step Wall: 11499.2, 0.00319443/step, 1.20874 hours remaining, 237.332031 MB of memory in use. ENERGY: 3637800 3996.9282 20399.1090 14453.3767 254.0030 -203251.8457 2549.3869 0.0000 0.0000 52035.7220 -109563.3200 299.0500 -161599.0420 -109185.0616 299.2044 -240.3425 -203.2963 762769.4121 -8.1016 -8.0032 PRESSURE: 3638000 -672.356 -16.4369 -43.0392 -16.4361 -119.129 -55.2982 -43.0384 -55.2975 -237.071 GPRESSURE: 3638000 -614.217 -14.2742 -83.8816 -15.5568 -170.669 -16.8258 -53.0943 -43.1893 -158.128 PRESSAVG: 3638000 -36.9772 29.6878 -37.3862 29.6878 3.24954 15.7773 -37.3861 15.7774 16.4764 GPRESSAVG: 3638000 -36.4439 31.2985 -36.6304 29.8784 3.64152 15.3265 -36.233 14.8613 15.774 TIMING: 3638000 CPU: 11499.8, 0.00316949/step Wall: 11499.8, 0.0031695/step, 1.19913 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3638000 4035.4477 20501.7044 14511.2424 252.5337 -203300.7468 2445.1405 0.0000 0.0000 52038.9214 -109515.7567 299.0684 -161554.6781 -109164.1122 299.2309 -342.8517 -314.3379 762735.7086 -5.7504 -5.6761 PRESSURE: 3638200 -568.651 -29.3294 60.4008 -29.3283 -206.421 -91.828 60.401 -91.8267 -236.144 GPRESSURE: 3638200 -451.578 -130.58 51.3365 -93.9108 -312.826 -55.8979 115.817 -58.5599 -180.308 PRESSAVG: 3638200 77.4757 -17.0912 -20.0572 -17.0912 -39.2932 1.45326 -20.0572 1.45326 10.9222 GPRESSAVG: 3638200 75.5056 -15.9569 -19.5478 -17.8875 -38.434 2.47405 -19.916 1.92163 11.1691 TIMING: 3638200 CPU: 11500.5, 0.00316196/step Wall: 11500.5, 0.00316196/step, 1.1961 hours remaining, 237.332031 MB of memory in use. ENERGY: 3638200 3955.2222 20661.6226 14486.5220 248.6177 -203224.0932 2270.0484 0.0000 0.0000 51845.6882 -109756.3722 297.9579 -161602.0603 -109394.3699 299.0737 -337.0721 -314.9044 761466.2978 16.3682 16.0803 PRESSURE: 3638400 203.305 163.926 -124.993 163.925 122.202 66.4524 -124.993 66.4542 10.3344 GPRESSURE: 3638400 176.193 183.736 -114.486 228.895 168.211 26.0553 -168.453 106.862 60.9703 PRESSAVG: 3638400 -9.85539 -31.2202 -34.7169 -31.2202 0.251355 -56.8027 -34.7169 -56.8027 -9.85779 GPRESSAVG: 3638400 -9.98599 -31.9481 -33.0052 -30.1028 0.447881 -60.1966 -37.7847 -56.5483 -9.47389 TIMING: 3638400 CPU: 11501.1, 0.00320983/step Wall: 11501.1, 0.00320983/step, 1.21403 hours remaining, 237.332031 MB of memory in use. ENERGY: 3638400 3950.4505 20477.9887 14391.0275 254.0283 -203576.8694 2716.4949 0.0000 0.0000 51856.4879 -109930.3916 298.0199 -161786.8795 -109567.8904 298.0571 111.9470 135.1247 761101.5650 -6.4873 -6.3373 PRESSURE: 3638600 181.898 205.324 143.936 205.325 326.472 87.9308 143.936 87.9318 41.0984 GPRESSURE: 3638600 130.58 116.141 139.096 68.6291 370.471 83.9743 299.072 148.122 123.757 PRESSAVG: 3638600 35.7369 -24.9479 -40.6908 -24.9479 11.8404 0.292066 -40.6908 0.292028 8.00733 GPRESSAVG: 3638600 36.451 -23.9927 -43.8276 -26.5258 10.6905 3.88039 -34.9945 -0.97291 7.61644 TIMING: 3638600 CPU: 11501.7, 0.00313429/step Wall: 11501.7, 0.00313429/step, 1.18528 hours remaining, 237.332031 MB of memory in use. ENERGY: 3638600 4049.1185 20332.6815 14499.3689 273.9381 -204052.9969 3081.5668 0.0000 0.0000 52141.0014 -109675.3217 299.6551 -161816.3231 -109310.9806 298.3970 183.1560 208.2693 760513.2119 18.5282 18.2526 PRESSURE: 3638800 86.0047 98.2931 189.871 98.2931 110.024 -447.318 189.872 -447.316 11.7726 GPRESSURE: 3638800 139.608 -50.8917 175.119 206.524 191.936 -435.158 186.426 -314.986 -34.658 PRESSAVG: 3638800 -20.6339 -33.0884 30.2827 -33.0884 67.6836 -21.0565 30.2827 -21.0565 -12.8694 GPRESSAVG: 3638800 -20.3032 -34.3833 33.315 -30.5213 66.7427 -21.2791 26.3647 -18.7057 -12.161 TIMING: 3638800 CPU: 11502.4, 0.00316435/step Wall: 11502.4, 0.00316435/step, 1.19648 hours remaining, 237.332031 MB of memory in use. ENERGY: 3638800 4073.7440 20394.4136 14449.1916 246.0536 -203735.8439 2866.1659 0.0000 0.0000 52070.2364 -109636.0388 299.2484 -161706.2751 -109266.6732 298.9118 69.2671 98.9618 760964.3266 11.3934 11.4262 PRESSURE: 3639000 102.968 -53.6815 72.803 -53.6812 -7.82201 185.149 72.8037 185.15 -145.074 GPRESSURE: 3639000 232.494 -50.629 5.38712 -124.532 -4.95421 167.053 126.902 162.99 -203.631 PRESSAVG: 3639000 -50.1515 -70.3257 6.03351 -70.3257 55.9172 -19.0295 6.03345 -19.0295 3.00214 GPRESSAVG: 3639000 -51.1388 -68.9041 4.65854 -71.8389 57.7579 -19.0229 4.73953 -22.1551 1.7574 TIMING: 3639000 CPU: 11503, 0.00320567/step Wall: 11503, 0.00320566/step, 1.21192 hours remaining, 237.332031 MB of memory in use. ENERGY: 3639000 4042.0379 20585.7979 14460.1440 249.7548 -203858.0274 2842.1073 0.0000 0.0000 52016.3002 -109661.8853 298.9384 -161678.1854 -109298.2410 298.7113 -16.6426 7.9695 760687.5372 2.9226 2.7922 PRESSURE: 3639200 -187.89 -32.3118 21.9155 -32.3127 -106.6 -111.965 21.9161 -111.965 20.1331 GPRESSURE: 3639200 -190.177 -89.8898 -2.91592 -16.7471 -74.7382 -140.886 68.2445 -94.9054 82.9819 PRESSAVG: 3639200 -3.99245 -24.0691 23.4496 -24.0691 -11.9776 -36.6343 23.4496 -36.6344 10.3323 GPRESSAVG: 3639200 -3.79023 -23.5833 23.0078 -23.68 -12.8959 -36.5469 24.8403 -37.2976 11.1876 TIMING: 3639200 CPU: 11503.6, 0.00319754/step Wall: 11503.6, 0.00319754/step, 1.20867 hours remaining, 237.332031 MB of memory in use. ENERGY: 3639200 3990.5815 20374.0908 14458.2521 262.4825 -203473.6961 2637.3501 0.0000 0.0000 52019.2642 -109731.6750 298.9554 -161750.9391 -109368.9984 298.6930 -91.4523 -60.6443 761905.9998 -1.8793 -1.8328 PRESSURE: 3639400 -111.311 216.439 74.5802 216.438 -5.89534 33.5452 74.5791 33.546 440.699 GPRESSURE: 3639400 -17.6843 174.311 113.026 247.737 33.316 -47.9262 110.689 5.7617 402.818 PRESSAVG: 3639400 43.9425 3.05782 57.2812 3.05783 12.8068 -57.784 57.2812 -57.784 28.8249 GPRESSAVG: 3639400 42.4517 0.665489 55.418 1.09174 13.3993 -58.591 59.3484 -53.7479 29.0815 TIMING: 3639400 CPU: 11504.3, 0.00321891/step Wall: 11504.3, 0.00321891/step, 1.21657 hours remaining, 237.332031 MB of memory in use. ENERGY: 3639400 3906.4651 20531.3507 14401.0916 257.8650 -203777.1038 2818.4936 0.0000 0.0000 51845.6936 -110016.1441 297.9579 -161861.8377 -109645.5430 298.3994 107.8307 139.4832 760956.1262 28.5247 28.3108 PRESSURE: 3639600 359.554 27.0809 216.141 27.0807 357.308 -175.885 216.142 -175.884 56.9466 GPRESSURE: 3639600 417.173 73.773 231.525 130.339 365.985 -120.352 194.791 -146.127 76.4457 PRESSAVG: 3639600 -36.6188 -16.7899 95.5685 -16.7898 33.32 -2.45387 95.5685 -2.45384 -15.0333 GPRESSAVG: 3639600 -35.3328 -15.1062 98.4505 -16.5491 33.3042 -1.62545 93.6108 -4.94818 -15.8484 TIMING: 3639600 CPU: 11504.9, 0.00320299/step Wall: 11504.9, 0.00320299/step, 1.21038 hours remaining, 237.332031 MB of memory in use. ENERGY: 3639600 4026.7148 20456.4221 14490.7589 230.8998 -204182.9362 3015.0741 0.0000 0.0000 52033.9184 -109929.1481 299.0396 -161963.0665 -109571.8392 298.1242 257.9362 286.5348 760237.2756 -6.1107 -5.9590 PRESSURE: 3639800 -270.325 116.998 -194.224 116.997 -105.274 68.3184 -194.224 68.3187 -164.388 GPRESSURE: 3639800 -254.876 59.1324 -232.032 123.174 -40.2097 49.0708 -181.7 32.7294 -183.235 PRESSAVG: 3639800 -17.962 -10.0414 66.5133 -10.0414 35.9313 9.71262 66.5134 9.7126 -15.2231 GPRESSAVG: 3639800 -17.8044 -10.1491 64.9741 -9.96119 35.6712 8.35117 67.2937 10.529 -15.2657 TIMING: 3639800 CPU: 11505.6, 0.00322215/step Wall: 11505.6, 0.00322215/step, 1.21744 hours remaining, 237.332031 MB of memory in use. ENERGY: 3639800 3941.3539 20439.2082 14422.5346 261.7839 -203931.9533 2528.9304 0.0000 0.0000 52241.5086 -110096.6338 300.2327 -162338.1424 -109726.5699 298.2111 -179.9957 -159.4404 759912.2103 0.9154 0.8671 PRESSURE: 3640000 -322.008 48.2293 20.128 48.2293 -246.336 100.98 20.128 100.98 -171.673 GPRESSURE: 3640000 -287.014 69.3529 118.026 104.936 -149.943 102.779 -82.6707 53.0375 -214.948 PRESSAVG: 3640000 -16.677 -18.664 40.156 -18.664 -7.58838 21.1085 40.1559 21.1085 -18.9063 GPRESSAVG: 3640000 -17.8312 -21.5317 39.8618 -14.6769 -5.62089 21.4362 37.8341 19.5075 -19.1389 TIMING: 3640000 CPU: 11506.2, 0.00321375/step Wall: 11506.2, 0.00321375/step, 1.21408 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3640000 4024.4645 20466.8056 14462.0385 242.1204 -203732.6190 2538.8648 0.0000 0.0000 51833.2605 -110165.0646 297.8865 -161998.3251 -109799.4340 297.7954 -246.6721 -217.3017 760038.5429 -14.3906 -14.1970 PRESSURE: 3640200 -122.318 55.1329 -36.2474 55.1312 180.655 155.298 -36.2477 155.299 -233.68 GPRESSURE: 3640200 -47.0015 -35.1955 -8.87558 220.284 210.641 148.183 69.2916 24.4898 -266.128 PRESSAVG: 3640200 -5.28825 10.0381 21.0075 10.0381 -26.882 -44.1886 21.0076 -44.1886 16.0394 GPRESSAVG: 3640200 -4.09304 13.632 22.3156 7.96066 -28.6474 -45.0752 21.0061 -42.3595 16.3793 TIMING: 3640200 CPU: 11506.9, 0.00320571/step Wall: 11506.9, 0.00320571/step, 1.21087 hours remaining, 237.332031 MB of memory in use. ENERGY: 3640200 3962.6405 20550.2857 14466.6181 235.4505 -203612.0740 2480.4749 0.0000 0.0000 52121.5061 -109795.0981 299.5430 -161916.6042 -109431.8367 298.2674 -58.4479 -34.1631 761748.5624 -5.3770 -5.4537 LDB: ============= START OF LOAD BALANCING ============== 11519.3 LDB: ============== END OF LOAD BALANCING =============== 11519.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11519.3 LDB: ============= START OF LOAD BALANCING ============== 11519.6 LDB: Largest compute 7048 load 0.034124 is 17.4% of average load 0.196007 LDB: Average compute 0.004411 is 2.3% of average load 0.196007 LDB: TIME 11519.6 LOAD: AVG 0.196007 MAX 0.218279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 11519.6 LOAD: AVG 0.196007 MAX 0.218279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 11519.6 LOAD: AVG 0.196007 MAX 0.218279 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 11519.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11519.6 PRESSURE: 3640400 -92.7822 -139.742 -39.7072 -139.742 -92.6759 -114.908 -39.7072 -114.909 235.575 GPRESSURE: 3640400 19.0394 -25.2505 -75.9428 -148.121 -82.8122 -164.366 -120.334 -102.884 191.462 PRESSAVG: 3640400 -20.4882 -40.4672 38.1697 -40.4673 83.2558 -42.1287 38.1697 -42.1286 19.3262 GPRESSAVG: 3640400 -21.2207 -39.9761 37.6502 -43.3273 84.2474 -42.2035 39.7642 -42.0483 18.8055 TIMING: 3640400 CPU: 11507.5, 0.00325893/step Wall: 11507.5, 0.00325893/step, 1.23079 hours remaining, 238.152344 MB of memory in use. ENERGY: 3640400 3890.5547 20577.4446 14375.9900 236.5667 -203620.4775 2736.2008 0.0000 0.0000 52090.6045 -109713.1161 299.3654 -161803.7206 -109346.4559 298.7919 16.7055 42.5632 762008.1024 27.3646 27.2774 PRESSURE: 3640600 20.0589 -143.121 -205.972 -143.122 112.879 72.5347 -205.971 72.5362 235.044 GPRESSURE: 3640600 113.604 -86.699 -176.735 28.5215 56.425 83.5811 -266.628 74.7835 264.966 PRESSAVG: 3640600 34.0227 -22.544 14.9389 -22.544 -22.6538 -8.32649 14.9389 -8.32635 6.0694 GPRESSAVG: 3640600 35.1356 -26.3928 15.9862 -19.6859 -24.6178 -6.16161 14.6133 -9.45066 7.63952 TIMING: 3640600 CPU: 11508.1, 0.00320649/step Wall: 11508.1, 0.00320649/step, 1.21081 hours remaining, 238.152344 MB of memory in use. ENERGY: 3640600 4020.7180 20570.1110 14486.1617 238.8048 -203423.7810 2777.8138 0.0000 0.0000 51790.2400 -109539.9316 297.6392 -161330.1716 -109179.8250 298.8619 122.6607 144.9983 760289.6500 5.8128 6.0525 PRESSURE: 3640800 -73.5479 -2.74617 65.0929 -2.74647 168.844 145.147 65.0934 145.149 248.618 GPRESSURE: 3640800 -7.36478 1.65723 50.0261 -119.698 169.285 154.958 181.533 99.9047 249.189 PRESSAVG: 3640800 -32.0107 -30.3954 11.7996 -30.3954 46.4241 70.5339 11.7996 70.5338 -18.3129 GPRESSAVG: 3640800 -31.8655 -27.5562 10.6849 -31.1411 46.7269 70.3106 10.1143 69.7981 -19.0448 TIMING: 3640800 CPU: 11508.8, 0.00319497/step Wall: 11508.8, 0.00319497/step, 1.20628 hours remaining, 238.152344 MB of memory in use. ENERGY: 3640800 3901.0200 20537.8072 14344.7921 244.4715 -203677.6803 2841.8354 0.0000 0.0000 52253.1982 -109554.5559 300.2998 -161807.7541 -109187.6921 299.1902 114.6381 137.0367 762213.5679 -1.2998 -1.3944 PRESSURE: 3641000 206.245 170.966 59.3348 170.965 31.6783 -10.5594 59.3355 -10.5602 402.76 GPRESSURE: 3641000 176.544 72.641 110.48 29.7726 48.7755 43.7099 -27.9783 -122.878 501.919 PRESSAVG: 3641000 -33.3779 5.75367 -36.419 5.75366 15.1339 34.3489 -36.4189 34.3489 -4.13126 GPRESSAVG: 3641000 -35.2494 4.92067 -36.5011 5.64337 15.5823 34.2799 -36.7039 34.6229 -3.11025 TIMING: 3641000 CPU: 11509.4, 0.00317688/step Wall: 11509.4, 0.00317688/step, 1.19927 hours remaining, 238.152344 MB of memory in use. ENERGY: 3641000 3987.6740 20542.5152 14325.6609 241.8591 -203809.6582 2912.9658 0.0000 0.0000 52126.1326 -109672.8506 299.5696 -161798.9832 -109312.5194 299.0665 213.5611 242.4128 760080.7846 -7.4584 -7.5924 PRESSURE: 3641200 -112.31 -328.778 -19.0857 -328.777 -88.3888 -47.9063 -19.0857 -47.9061 -206.266 GPRESSURE: 3641200 -108.01 -122.338 -73.946 -360.111 -17.3639 -8.96117 -55.6073 -223.115 -179.774 PRESSAVG: 3641200 26.0791 -7.73743 5.77097 -7.73738 -9.83048 16.5774 5.77099 16.5774 9.71851 GPRESSAVG: 3641200 25.9826 -9.36007 7.09042 -7.00769 -9.04347 14.7528 5.8357 18.2721 9.07806 TIMING: 3641200 CPU: 11510.1, 0.00318389/step Wall: 11510.1, 0.00318389/step, 1.20174 hours remaining, 238.152344 MB of memory in use. ENERGY: 3641200 3957.7063 20503.3890 14368.4609 244.5779 -203524.3842 2612.6763 0.0000 0.0000 52089.4444 -109748.1294 299.3588 -161837.5738 -109379.8011 298.9110 -135.6549 -101.7161 760741.5581 8.6557 8.6724 PRESSURE: 3641400 -293.351 -52.1586 -101.285 -52.1592 28.7791 33.6815 -101.285 33.6827 187.573 GPRESSURE: 3641400 -254.187 -53.6543 -56.1475 65.3524 17.3221 10.0658 -171.463 232.037 254.466 PRESSAVG: 3641400 -2.26612 17.7342 -48.947 17.7341 30.4632 -2.79006 -48.9469 -2.79005 -8.05886 GPRESSAVG: 3641400 -2.55452 20.134 -50.5317 17.2533 29.7536 -1.43526 -46.861 -2.728 -7.05743 TIMING: 3641400 CPU: 11510.7, 0.00318424/step Wall: 11510.7, 0.00318424/step, 1.2017 hours remaining, 238.152344 MB of memory in use. ENERGY: 3641400 3983.4814 20584.3073 14366.3774 260.5684 -203301.5543 2517.0650 0.0000 0.0000 51762.3573 -109827.3974 297.4790 -161589.7547 -109467.3401 298.8504 -25.6660 5.8671 760899.0502 6.7127 6.7139 PRESSURE: 3641600 -195.109 82.095 20.1322 82.0956 -189.387 261.313 20.1322 261.312 152.261 GPRESSURE: 3641600 -188.297 100.455 26.7877 134.314 -124.315 227.989 -70.3882 303.061 160.968 PRESSAVG: 3641600 -14.1166 -6.71319 -32.8259 -6.71323 -20.0822 33.4559 -32.8259 33.4559 6.18133 GPRESSAVG: 3641600 -12.8452 -8.8266 -31.6503 -6.6965 -21.5125 33.903 -31.7532 34.4283 5.86452 TIMING: 3641600 CPU: 11511.3, 0.00319998/step Wall: 11511.3, 0.00319998/step, 1.20746 hours remaining, 238.152344 MB of memory in use. ENERGY: 3641600 4029.4345 20622.2312 14429.7096 246.2683 -203769.1163 2486.5859 0.0000 0.0000 51976.7633 -109978.1235 298.7112 -161954.8867 -109612.3656 298.2398 -77.4116 -50.5480 759684.2513 -9.3392 -9.4977 PRESSURE: 3641800 2.86475 50.804 11.176 50.8034 -43.4265 241.116 11.1758 241.115 227.877 GPRESSURE: 3641800 -63.6193 57.4829 33.5004 80.1373 51.2711 274.267 -86.143 196.437 285.282 PRESSAVG: 3641800 -70.4944 -13.1432 -10.6203 -13.1432 24.6475 79.0975 -10.6204 79.0975 -6.55556 GPRESSAVG: 3641800 -71.8706 -10.61 -10.569 -13.7856 26.0302 79.207 -10.6437 78.095 -6.44437 TIMING: 3641800 CPU: 11512, 0.00319434/step Wall: 11512, 0.00319434/step, 1.20515 hours remaining, 238.152344 MB of memory in use. ENERGY: 3641800 3953.1106 20569.6640 14434.8564 247.9450 -203377.8722 2393.5007 0.0000 0.0000 51960.3749 -109818.4205 298.6170 -161778.7954 -109455.4951 298.3345 62.4383 90.9778 761198.9291 -17.4675 -17.4282 PRESSURE: 3642000 -19.043 -105.7 -72.5752 -105.699 -157.949 -65.3321 -72.5763 -65.3312 160.993 GPRESSURE: 3642000 -67.8791 -251.063 29.4767 -149.627 -84.2548 -8.94323 12.2998 -155.794 222.717 PRESSAVG: 3642000 -19.3017 -47.771 23.4773 -47.771 8.36368 4.2962 23.4773 4.29624 -10.5028 GPRESSAVG: 3642000 -19.0354 -50.3575 23.1061 -46.627 9.41669 4.22781 21.4714 3.04764 -12.3845 TIMING: 3642000 CPU: 11512.6, 0.00317784/step Wall: 11512.6, 0.00317784/step, 1.19875 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3642000 4058.2197 20600.8106 14401.0242 240.2245 -204128.0271 2886.4424 0.0000 0.0000 52188.5133 -109752.7924 299.9281 -161941.3058 -109393.5486 298.6640 -5.3330 23.5277 760575.7539 -7.1470 -7.3344 PRESSURE: 3642200 -41.6304 -23.0915 -202.863 -23.0914 -143.085 11.612 -202.863 11.6119 -423.573 GPRESSURE: 3642200 15.1861 77.8828 -207.098 -30.5842 -147.519 -50.4822 -128.722 -6.36143 -367.625 PRESSAVG: 3642200 -41.0745 15.1222 9.93317 15.1222 15.0779 16.3526 9.93322 16.3526 15.2889 GPRESSAVG: 3642200 -40.7722 17.5891 9.86574 14.1797 14.2675 17.1073 11.7084 16.7073 16.1146 TIMING: 3642200 CPU: 11513.3, 0.00320661/step Wall: 11513.3, 0.00320661/step, 1.20943 hours remaining, 238.152344 MB of memory in use. ENERGY: 3642200 4067.5659 20450.8780 14438.6365 236.7189 -203772.3046 2728.6118 0.0000 0.0000 52444.6420 -109405.2515 301.4001 -161849.8934 -109040.4965 299.1120 -202.7628 -166.6526 760868.6942 -3.5692 -3.4634 PRESSURE: 3642400 194.467 -51.1462 -324.963 -51.1466 296.551 30.5366 -324.963 30.5361 -61.1312 GPRESSURE: 3642400 212.417 -1.09886 -371.083 -19.231 388.445 30.1973 -262.587 -24.5275 -91.6441 PRESSAVG: 3642400 -17.825 7.64087 -69.6462 7.6409 56.034 48.6232 -69.6462 48.6232 3.12468 GPRESSAVG: 3642400 -17.799 6.24485 -70.3042 8.06159 55.9985 48.5847 -69.2637 50.3468 3.03526 TIMING: 3642400 CPU: 11513.9, 0.00320334/step Wall: 11513.9, 0.00320335/step, 1.20802 hours remaining, 238.152344 MB of memory in use. ENERGY: 3642400 3983.7231 20799.8204 14423.1641 256.0087 -203509.6537 2622.5574 0.0000 0.0000 52033.9245 -109390.4555 299.0397 -161424.3800 -109025.9711 300.1784 143.2954 169.7392 758781.0371 13.7779 13.7449 PRESSURE: 3642600 -151.491 23.894 -123.011 23.8943 -134.019 -64.7101 -123.01 -64.7094 131.031 GPRESSURE: 3642600 -198.254 -16.7019 -166.263 -66.595 31.7306 -68.249 -154.108 -6.63928 108.627 PRESSAVG: 3642600 38.3346 -27.4071 11.6136 -27.407 34.4952 -14.1476 11.6135 -14.1475 12.9116 GPRESSAVG: 3642600 37.3373 -28.2563 11.2569 -25.8652 35.2787 -14.4093 9.6015 -14.7707 13.0867 TIMING: 3642600 CPU: 11514.5, 0.00321163/step Wall: 11514.5, 0.00321163/step, 1.21096 hours remaining, 238.152344 MB of memory in use. ENERGY: 3642600 4031.5749 20616.8285 14511.1643 278.8699 -203489.9941 2567.8166 0.0000 0.0000 52056.6403 -109427.0996 299.1702 -161483.7399 -109062.2341 299.8033 -51.4928 -19.2989 759601.1608 28.5805 28.5675 PRESSURE: 3642800 -275.852 38.4326 -161.503 38.4331 -226.97 -19.866 -161.503 -19.8657 -207.407 GPRESSURE: 3642800 -228.315 8.01905 -198.475 -49.4347 -196.628 -127.666 -71.1372 -0.569896 -200.397 PRESSAVG: 3642800 -55.7955 -54.3945 20.7914 -54.3945 38.0529 30.6564 20.7914 30.6564 15.192 GPRESSAVG: 3642800 -56.8104 -52.8586 20.8467 -55.8721 38.7467 29.8403 21.3047 31.8766 15.2834 TIMING: 3642800 CPU: 11515.2, 0.00319654/step Wall: 11515.2, 0.00319654/step, 1.2051 hours remaining, 238.152344 MB of memory in use. ENERGY: 3642800 3979.3237 20703.0357 14539.0521 248.8644 -203396.5846 2587.4250 0.0000 0.0000 51872.1130 -109466.7707 298.1097 -161338.8838 -109108.3455 299.6077 -236.7430 -208.4465 762288.8484 -0.8502 -0.9268 PRESSURE: 3643000 -100.819 -112.355 58.3787 -112.355 -305.478 121.954 58.3788 121.953 -2.38387 GPRESSURE: 3643000 -136.732 11.9702 102.151 -105.103 -179.253 36.4466 30.7495 150.303 -20.7762 PRESSAVG: 3643000 -6.08253 -7.9273 -1.448 -7.92733 4.17801 -23.49 -1.44799 -23.49 -20.1937 GPRESSAVG: 3643000 -6.41757 -8.88646 -1.90909 -7.56708 4.39766 -24.7956 -1.16552 -26.7086 -20.1718 TIMING: 3643000 CPU: 11515.8, 0.00318931/step Wall: 11515.8, 0.00318931/step, 1.20219 hours remaining, 238.152344 MB of memory in use. ENERGY: 3643000 4021.6803 20717.4920 14488.0180 251.2872 -203575.1389 2607.0183 0.0000 0.0000 52306.7690 -109182.8741 300.6077 -161489.6432 -108825.0050 299.7820 -136.2272 -112.2538 763215.7333 -7.3661 -7.3972 PRESSURE: 3643200 -198.847 -280.981 244.302 -280.98 22.675 4.63789 244.301 4.63809 -21.3009 GPRESSURE: 3643200 -78.672 -256.447 223.678 -181.558 59.6274 -10.0146 214.929 9.33259 -89.5261 PRESSAVG: 3643200 19.2425 6.66486 -21.8179 6.66493 27.8452 -17.3093 -21.8178 -17.3093 24.6673 GPRESSAVG: 3643200 22.2062 5.23189 -20.578 6.86811 26.2532 -14.7706 -23.0354 -15.2774 23.0375 TIMING: 3643200 CPU: 11516.5, 0.00320166/step Wall: 11516.5, 0.00320166/step, 1.20667 hours remaining, 238.152344 MB of memory in use. ENERGY: 3643200 3991.9860 20595.1186 14477.6767 259.2455 -203494.5294 2565.4291 0.0000 0.0000 52338.5027 -109266.5709 300.7901 -161605.0736 -108899.1631 300.3641 -65.8243 -36.1902 761450.2086 23.9183 23.8323 PRESSURE: 3643400 66.686 29.9975 -144.043 29.9973 -99.819 -135.418 -144.043 -135.417 180.152 GPRESSURE: 3643400 115.679 -2.78037 -194.039 98.1393 -19.7121 -97.4386 -150.177 -132.794 141.255 PRESSAVG: 3643400 -58.1035 4.95293 -18.2761 4.95287 13.2216 -35.4789 -18.2761 -35.4789 -15.0224 GPRESSAVG: 3643400 -60.2908 5.37091 -20.3668 6.17319 14.1798 -36.0475 -15.9686 -37.6724 -13.5481 TIMING: 3643400 CPU: 11517.1, 0.00318255/step Wall: 11517.1, 0.00318255/step, 1.19929 hours remaining, 238.152344 MB of memory in use. ENERGY: 3643400 4051.9048 20618.1411 14405.7018 235.2350 -203710.2588 2816.2128 0.0000 0.0000 52078.3123 -109504.7510 299.2948 -161583.0633 -109134.0018 299.1221 49.0063 79.0738 762005.6924 -19.9681 -19.8864 PRESSURE: 3643600 113.77 190.121 -65.7188 190.12 -101.522 -24.449 -65.7185 -24.4489 57.9406 GPRESSURE: 3643600 87.0905 246.806 -129.247 131.978 -21.4448 39.554 -122.347 -4.44894 70.7308 PRESSAVG: 3643600 17.0923 2.84076 -11.9387 2.84076 -21.5049 -4.98634 -11.9386 -4.98622 13.9298 GPRESSAVG: 3643600 16.8569 2.95011 -11.0058 1.9573 -22.0989 -5.75919 -13.3816 -3.73285 14.2515 TIMING: 3643600 CPU: 11517.7, 0.00320537/step Wall: 11517.7, 0.00320537/step, 1.20771 hours remaining, 238.152344 MB of memory in use. ENERGY: 3643600 4005.2215 20701.5320 14505.8017 240.5205 -203960.1157 2834.9163 0.0000 0.0000 52045.1235 -109627.0002 299.1040 -161672.1237 -109266.1825 298.9689 23.3963 45.4588 761782.0391 3.1724 3.0031 PRESSURE: 3643800 -121.412 70.7843 -25.0785 70.7845 227.874 57.0716 -25.0773 57.0706 92.9601 GPRESSURE: 3643800 -128.707 -6.41795 -50.4291 24.4714 263.119 27.051 5.83335 -189.185 128.851 PRESSAVG: 3643800 38.956 47.8804 -32.162 47.8804 -12.9478 -22.9846 -32.1621 -22.9847 -13.3196 GPRESSAVG: 3643800 38.676 49.1257 -32.1048 46.5764 -12.9766 -22.4146 -32.4052 -22.5413 -12.8501 TIMING: 3643800 CPU: 11518.4, 0.00318194/step Wall: 11518.4, 0.00318194/step, 1.19871 hours remaining, 238.152344 MB of memory in use. ENERGY: 3643800 4046.7268 20541.9251 14500.5779 254.8454 -203734.9446 2951.6713 0.0000 0.0000 51848.2993 -109590.8988 297.9729 -161439.1981 -109224.0646 299.2525 66.4739 87.7543 761481.3511 4.2295 4.2831 PRESSURE: 3644000 -412.561 -185.025 -55.2727 -185.025 -48.4325 -198.293 -55.2732 -198.294 -7.05907 GPRESSURE: 3644000 -361.595 -71.7797 -2.03056 -132.547 -14.8346 -191.368 -111.929 -205.675 -13.0681 PRESSAVG: 3644000 32.9059 1.00758 -7.01697 1.00758 25.3623 -75.3458 -7.01692 -75.3457 9.3839 GPRESSAVG: 3644000 34.4355 -0.305837 -7.05966 1.92551 24.3522 -75.576 -6.17796 -75.189 8.60174 TIMING: 3644000 CPU: 11519, 0.00320358/step Wall: 11519, 0.00320358/step, 1.20668 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3644000 3990.5698 20663.5659 14405.6951 252.9448 -203814.3569 2724.3060 0.0000 0.0000 52275.1673 -109502.1080 300.4261 -161777.2753 -109132.5822 299.3363 -156.0175 -129.8324 761044.9504 22.5507 22.4631 PRESSURE: 3644200 -280.938 6.62262 -113.634 6.6229 -87.6697 48.9723 -113.635 48.9726 -230.743 GPRESSURE: 3644200 -273.455 53.15 -83.6665 -2.93957 -36.63 12.771 -101.241 99.6465 -192.614 PRESSAVG: 3644200 -16.7793 34.1237 -47.3589 34.1238 -18.4898 -10.9881 -47.3589 -10.9882 -31.8115 GPRESSAVG: 3644200 -18.034 35.8751 -46.212 35.6116 -16.8822 -9.81708 -47.7809 -12.2785 -31.8252 TIMING: 3644200 CPU: 11519.6, 0.00320162/step Wall: 11519.6, 0.00320162/step, 1.20577 hours remaining, 238.152344 MB of memory in use. ENERGY: 3644200 4013.3483 20600.8350 14412.7723 240.0288 -203762.9348 2705.5429 0.0000 0.0000 52118.4966 -109671.9109 299.5257 -161790.4075 -109306.9309 299.5510 -199.7834 -167.5663 762583.9398 -22.3602 -22.2471 LDB: ============= START OF LOAD BALANCING ============== 11532.1 LDB: ============== END OF LOAD BALANCING =============== 11532.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11532.1 LDB: ============= START OF LOAD BALANCING ============== 11532.4 LDB: Largest compute 7034 load 0.032566 is 16.6% of average load 0.196008 LDB: Average compute 0.004398 is 2.2% of average load 0.196008 LDB: TIME 11532.4 LOAD: AVG 0.196008 MAX 0.218479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 11532.4 LOAD: AVG 0.196008 MAX 0.218479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 11532.4 LOAD: AVG 0.196008 MAX 0.218479 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11532.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11532.4 PRESSURE: 3644400 62.5009 190.273 -20.4962 190.273 -287.107 -169.328 -20.4963 -169.328 361.572 GPRESSURE: 3644400 27.6122 77.4908 -8.22784 163.492 -182.053 -253.673 165.044 -171.297 374.095 PRESSAVG: 3644400 -10.0023 12.3523 -16.1631 12.3523 13.9102 -33.8982 -16.1631 -33.8982 -19.6869 GPRESSAVG: 3644400 -10.7444 10.7132 -17.204 11.0503 13.1013 -36.2982 -13.857 -32.2345 -17.9881 TIMING: 3644400 CPU: 11520.3, 0.00330257/step Wall: 11520.3, 0.00330257/step, 1.2436 hours remaining, 238.664062 MB of memory in use. ENERGY: 3644400 4011.6852 20486.5279 14398.6147 242.5472 -203662.7581 2707.3445 0.0000 0.0000 52368.5799 -109447.4588 300.9629 -161816.0386 -109084.3416 299.2948 45.6555 73.2179 762647.3906 -5.2597 -5.2104 PRESSURE: 3644600 97.9205 34.5016 -105.241 34.5015 -27.0668 -345.147 -105.241 -345.147 -214.128 GPRESSURE: 3644600 147.005 19.6899 -152.855 61.5343 -8.09861 -387.928 -151.533 -244.163 -188.727 PRESSAVG: 3644600 29.4616 56.2715 -38.27 56.2715 -27.7686 -2.71703 -38.2701 -2.7171 -2.24393 GPRESSAVG: 3644600 30.1876 57.7145 -39.1816 55.1379 -27.7877 -1.44438 -40.3301 -2.67151 -3.04743 TIMING: 3644600 CPU: 11520.9, 0.00316433/step Wall: 11520.9, 0.00316433/step, 1.19137 hours remaining, 238.664062 MB of memory in use. ENERGY: 3644600 4032.9140 20655.3237 14344.1855 269.3774 -203446.7403 2478.3612 0.0000 0.0000 52294.0809 -109372.4977 300.5348 -161666.5785 -109006.9254 299.7087 -47.7581 -16.6068 760607.9691 -0.1836 -0.2158 PRESSURE: 3644800 -229.855 -138.816 -70.7121 -138.816 -297.306 -45.9394 -70.7113 -45.9384 -163.189 GPRESSURE: 3644800 -190.295 -253.558 -46.4748 -265.267 -206.027 -158.804 -48.8154 21.5129 -197.543 PRESSAVG: 3644800 5.69466 -8.21065 -49.3213 -8.21064 -27.0135 -24.4181 -49.3213 -24.4181 14.2476 GPRESSAVG: 3644800 6.0918 -6.85734 -48.3903 -9.60822 -27.2626 -25.3417 -50.2814 -24.0551 14.6894 TIMING: 3644800 CPU: 11521.6, 0.00319788/step Wall: 11521.6, 0.00319788/step, 1.20382 hours remaining, 238.664062 MB of memory in use. ENERGY: 3644800 4087.9741 20530.8803 14439.4962 259.0198 -203239.4918 2337.7063 0.0000 0.0000 52390.6121 -109193.8029 301.0896 -161584.4150 -108833.0125 300.3553 -230.1165 -197.9548 761032.8396 -2.3571 -2.1604 PRESSURE: 3645000 -221.482 30.0104 177.994 30.0104 217.602 52.5306 177.994 52.5294 -266.141 GPRESSURE: 3645000 -158.556 -62.2969 131.347 -40.3929 132.639 87.69 273.239 52.5139 -168.728 PRESSAVG: 3645000 49.0808 -19.8753 -41.1989 -19.8753 -5.05843 -0.0456268 -41.1989 -0.0456347 8.80886 GPRESSAVG: 3645000 49.8594 -21.906 -41.5099 -18.5465 -4.50172 0.26384 -38.5952 -0.632407 7.74009 TIMING: 3645000 CPU: 11522.2, 0.00317259/step Wall: 11522.2, 0.00317259/step, 1.19413 hours remaining, 238.664062 MB of memory in use. ENERGY: 3645000 4011.0903 20710.3176 14451.7889 241.1730 -203304.2243 2462.9481 0.0000 0.0000 51990.6966 -109436.2096 298.7912 -161426.9063 -109060.5473 300.3647 -90.0070 -64.8817 761490.2872 17.6104 17.6993 PRESSURE: 3645200 277.318 90.8027 -78.5574 90.8018 -216.524 -10.2309 -78.5575 -10.2308 61.2392 GPRESSURE: 3645200 245.456 138.138 -68.0284 126.214 -112.637 13.3466 -120.593 -10.8715 47.1446 PRESSAVG: 3645200 77.6704 18.8897 -17.7013 18.8897 -61.0327 -2.66033 -17.7012 -2.66036 3.14133 GPRESSAVG: 3645200 77.5156 19.3408 -18.5716 18.2779 -61.733 -0.419911 -17.8006 -5.02671 4.15008 TIMING: 3645200 CPU: 11522.8, 0.0031554/step Wall: 11522.8, 0.0031554/step, 1.18748 hours remaining, 238.664062 MB of memory in use. ENERGY: 3645200 4059.9689 20694.1434 14350.4047 241.4595 -203428.3741 2715.0229 0.0000 0.0000 52170.2677 -109197.1071 299.8232 -161367.3747 -108829.5886 300.2060 40.6776 59.9877 762317.6534 6.5930 6.6443 PRESSURE: 3645400 294.964 -21.0338 -119.751 -21.0345 -58.8836 -42.952 -119.752 -42.9527 324.444 GPRESSURE: 3645400 316.807 54.3457 -141.843 71.2214 -9.46623 -137.722 -37.9897 69.626 339.725 PRESSAVG: 3645400 43.5148 47.3262 30.3856 47.3263 -51.5526 4.36221 30.3855 4.36227 10.142 GPRESSAVG: 3645400 44.5714 48.4038 32.7601 48.7277 -51.3998 1.84075 28.4965 6.86524 9.54187 TIMING: 3645400 CPU: 11523.5, 0.00317951/step Wall: 11523.5, 0.00317951/step, 1.19638 hours remaining, 238.664062 MB of memory in use. ENERGY: 3645400 4017.9442 20575.7000 14417.4711 243.1609 -203345.9184 2568.2519 0.0000 0.0000 52354.1766 -109169.2136 300.8802 -161523.3902 -108811.6606 300.1665 186.8413 215.6889 760492.3592 0.7014 0.9045 PRESSURE: 3645600 182.763 -26.6209 -89.6876 -26.6205 -378.856 -2.25879 -89.6868 -2.2579 527.875 GPRESSURE: 3645600 222.552 -83.851 -65.3549 -157.211 -380.465 17.4595 -129.298 -76.0277 564.196 PRESSAVG: 3645600 77.1606 16.3117 -7.44279 16.3117 -75.0544 55.0484 -7.4427 55.0483 -3.35939 GPRESSAVG: 3645600 77.7812 15.0704 -7.91666 17.5971 -76.0084 56.8979 -6.35485 53.5232 -2.74688 TIMING: 3645600 CPU: 11524.1, 0.00318062/step Wall: 11524.1, 0.00318062/step, 1.19662 hours remaining, 238.664062 MB of memory in use. ENERGY: 3645600 4005.2227 20587.3130 14473.7575 261.7285 -203048.7707 2529.8702 0.0000 0.0000 52059.8883 -109130.9906 299.1889 -161190.8789 -108757.9608 300.0366 110.5944 135.4276 762503.0806 -0.4177 -0.3247 PRESSURE: 3645800 -40.0359 10.2258 151.333 10.2252 -159.773 -92.0668 151.333 -92.0667 192.723 GPRESSURE: 3645800 27.142 -6.12695 138.474 -37.4151 -99.8776 -10.135 128.224 -164.164 159.797 PRESSAVG: 3645800 0.217198 -30.7686 -28.8252 -30.7687 -7.46089 25.2675 -28.8252 25.2674 -22.1528 GPRESSAVG: 3645800 -1.02645 -30.2364 -31.358 -31.6708 -6.70591 26.9723 -28.0538 24.45 -21.7418 TIMING: 3645800 CPU: 11524.8, 0.00319611/step Wall: 11524.8, 0.00319611/step, 1.20227 hours remaining, 238.664062 MB of memory in use. ENERGY: 3645800 4018.4179 20570.9627 14436.1230 251.3987 -203311.4299 2775.9029 0.0000 0.0000 52123.9857 -109134.6389 299.5573 -161258.6247 -108773.9750 300.3681 -2.3622 29.0206 763460.9312 -9.7988 -9.8247 PRESSURE: 3646000 247.911 -126.026 -191.239 -126.027 69.2812 -450.244 -191.239 -450.246 186.557 GPRESSURE: 3646000 284.571 -15.1985 -164.08 -78.3483 99.5736 -391.593 -134.136 -334.147 211.672 PRESSAVG: 3646000 17.5209 59.3292 12.2634 59.3292 -27.2979 -39.214 12.2634 -39.2141 15.9614 GPRESSAVG: 3646000 16.7102 58.4221 13.8361 61.0952 -26.0551 -41.6986 9.97298 -36.651 15.0047 TIMING: 3646000 CPU: 11525.4, 0.00321487/step Wall: 11525.4, 0.00321487/step, 1.20915 hours remaining, 238.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3646000 3939.3770 20595.8730 14502.0520 235.3398 -203496.8257 2727.7172 0.0000 0.0000 52275.9434 -109220.5234 300.4306 -161496.4668 -108859.8266 299.7427 167.9164 198.6055 761813.1021 2.0615 1.8866 PRESSURE: 3646200 165.71 -11.4128 -86.8567 -11.4128 197.189 170.764 -86.8555 170.764 161.904 GPRESSURE: 3646200 136.979 81.9443 -136.994 -6.88427 249.419 163.623 -28.9218 195.621 226.554 PRESSAVG: 3646200 -42.9018 -30.4358 -5.1836 -30.4358 19.8666 33.7266 -5.18361 33.7265 -13.437 GPRESSAVG: 3646200 -43.5228 -29.7792 -6.69285 -32.5189 19.2845 34.7935 -4.69491 32.4147 -12.7907 TIMING: 3646200 CPU: 11526, 0.00318635/step Wall: 11526, 0.00318635/step, 1.19824 hours remaining, 238.664062 MB of memory in use. ENERGY: 3646200 4047.0867 20677.6822 14354.8852 237.9427 -203145.9141 2480.9542 0.0000 0.0000 52454.3902 -108892.9729 301.4561 -161347.3630 -108533.6269 300.1257 174.9343 204.3171 762511.2041 -12.1574 -12.3430 PRESSURE: 3646400 -207.038 -206.492 90.0606 -206.493 100.819 -152.005 90.0615 -152.005 -80.3801 GPRESSURE: 3646400 -145.348 -60.0618 10.3598 -44.5089 56.6482 -92.7166 19.7602 -203.209 -19.5019 PRESSAVG: 3646400 -50.0707 30.2206 -10.9612 30.2206 84.7685 -11.4948 -10.9612 -11.4948 6.38743 GPRESSAVG: 3646400 -48.827 30.5243 -8.7372 31.0017 84.4915 -10.6323 -10.6822 -11.9408 5.24192 TIMING: 3646400 CPU: 11526.7, 0.00320088/step Wall: 11526.7, 0.00320088/step, 1.20353 hours remaining, 238.664062 MB of memory in use. ENERGY: 3646400 4097.3310 20744.8745 14483.5638 235.2537 -203160.0719 2630.0783 0.0000 0.0000 52055.5816 -108913.3891 299.1641 -160968.9706 -108564.5903 300.7760 -62.1996 -36.0671 760396.8787 13.6951 13.6355 PRESSURE: 3646600 -166.923 -104.732 62.9321 -104.733 -158.89 -64.1503 62.932 -64.1509 84.6848 GPRESSURE: 3646600 -73.6244 -64.6128 96.0137 -21.4653 -177.02 -95.394 123.177 4.32012 90.396 PRESSAVG: 3646600 -13.9361 9.27812 12.2433 9.27815 5.54125 2.02437 12.2433 2.02435 6.78848 GPRESSAVG: 3646600 -13.9225 8.61586 11.6335 9.37105 3.62991 1.97161 12.6242 0.524487 8.43858 TIMING: 3646600 CPU: 11527.3, 0.00317562/step Wall: 11527.3, 0.00317562/step, 1.19385 hours remaining, 238.664062 MB of memory in use. ENERGY: 3646600 4050.8476 20611.6662 14385.5160 230.6361 -202802.0273 2585.5610 0.0000 0.0000 52094.0991 -108843.7013 299.3855 -160937.8004 -108472.5634 300.4064 -80.3759 -53.4162 762280.5635 -0.5355 -0.6180 PRESSURE: 3646800 -356.082 -49.2614 187.081 -49.2612 -72.3244 -43.7387 187.081 -43.74 -133.265 GPRESSURE: 3646800 -408.734 -24.4792 214.666 11.18 38.0625 -46.681 45.9855 -17.6205 -106.159 PRESSAVG: 3646800 -15.0735 16.4002 74.803 16.4003 4.26074 3.60529 74.8031 3.60535 -4.46332 GPRESSAVG: 3646800 -16.2826 16.9912 75.0292 15.4593 5.25003 3.72685 73.6383 5.56167 -4.48863 TIMING: 3646800 CPU: 11528, 0.00318013/step Wall: 11528, 0.00318013/step, 1.19538 hours remaining, 238.664062 MB of memory in use. ENERGY: 3646800 4057.9147 20601.3306 14428.6810 265.2543 -202890.3618 2438.1458 0.0000 0.0000 52404.2903 -108694.7452 301.1682 -161099.0354 -108324.1060 300.7528 -187.2237 -158.9437 763293.4166 -5.0920 -5.1737 PRESSURE: 3647000 -146.824 -206.255 -203.657 -206.255 -256.245 -226.74 -203.657 -226.739 -72.4832 GPRESSURE: 3647000 -145.178 -130.715 -319.25 -120.87 -223.924 -247.795 -295.001 -134.568 -34.9322 PRESSAVG: 3647000 -0.0967453 12.8198 17.4619 12.8198 -13.809 -25.9988 17.4619 -25.9987 -10.9918 GPRESSAVG: 3647000 0.842883 13.7015 17.1549 12.6598 -13.5374 -25.7181 15.9234 -27.4531 -11.982 TIMING: 3647000 CPU: 11528.6, 0.00317429/step Wall: 11528.6, 0.00317429/step, 1.193 hours remaining, 238.664062 MB of memory in use. ENERGY: 3647000 4012.1315 20801.0881 14396.4461 271.7909 -202952.9328 2375.5622 0.0000 0.0000 52142.4018 -108953.5123 299.6631 -161095.9141 -108589.2144 300.6267 -158.5172 -134.6781 762101.1244 -8.2992 -8.2255 PRESSURE: 3647200 147.04 107.166 8.97315 107.166 136.797 -82.8622 8.97322 -82.8633 -182.454 GPRESSURE: 3647200 153.608 72.5167 42.1249 16.2367 255.43 -44.3131 74.2171 -89.7126 -225.691 PRESSAVG: 3647200 4.50434 57.0577 9.57583 57.0576 14.4827 -29.2769 9.57584 -29.2769 -28.9619 GPRESSAVG: 3647200 3.61249 57.1651 9.02842 57.7155 14.9071 -29.7902 11.8824 -28.7715 -28.6529 TIMING: 3647200 CPU: 11529.2, 0.00319087/step Wall: 11529.2, 0.00319087/step, 1.19906 hours remaining, 238.664062 MB of memory in use. ENERGY: 3647200 3880.3750 20629.7392 14414.7945 255.3804 -202970.3920 2487.5021 0.0000 0.0000 52306.2973 -108996.3035 300.6050 -161302.6008 -108634.2359 300.3512 33.7945 61.1153 761441.1187 -3.3249 -3.3778 PRESSURE: 3647400 344.85 -163.68 32.0612 -163.68 233.942 -46.8063 32.0611 -46.8056 408.477 GPRESSURE: 3647400 341.543 -91.6731 7.60147 -168.116 306.83 -133.934 64.8915 -26.4986 439.928 PRESSAVG: 3647400 -20.7721 -20.2863 -25.431 -20.2863 -13.6854 -25.5723 -25.4309 -25.5723 -9.78223 GPRESSAVG: 3647400 -20.9158 -21.5232 -25.8865 -19.5868 -13.6076 -24.5354 -27.0026 -25.1223 -9.63421 TIMING: 3647400 CPU: 11529.9, 0.00318904/step Wall: 11529.9, 0.00318904/step, 1.19819 hours remaining, 238.664062 MB of memory in use. ENERGY: 3647400 3955.2427 20556.1166 14336.7484 265.2790 -203300.0644 2751.9871 0.0000 0.0000 52362.6507 -109072.0400 300.9289 -161434.6907 -108703.0935 300.0953 329.0899 362.7670 761737.8572 -14.7466 -14.7192 PRESSURE: 3647600 180.8 -86.6737 191.348 -86.6732 -114.486 216.029 191.348 216.03 283.481 GPRESSURE: 3647600 239.361 -118.44 335.076 -134.175 -12.0674 76.3509 -11.4554 280.619 220.175 PRESSAVG: 3647600 -7.40079 22.1099 39.0882 22.1099 -24.2743 -5.67188 39.0883 -5.67191 4.16611 GPRESSAVG: 3647600 -7.12915 22.0017 40.7372 23.2488 -23.2276 -6.70338 40.4613 -5.32191 2.97384 TIMING: 3647600 CPU: 11530.5, 0.00320046/step Wall: 11530.5, 0.00320046/step, 1.20231 hours remaining, 238.664062 MB of memory in use. ENERGY: 3647600 3986.4575 20800.9301 14380.9600 252.5543 -203308.6613 2677.4445 0.0000 0.0000 51941.1192 -109269.1959 298.5063 -161210.3150 -108906.3238 300.0027 116.5984 149.1560 761968.6053 -9.1697 -9.1276 PRESSURE: 3647800 -29.1962 -164.501 -78.9494 -164.502 51.7521 36.1778 -78.9487 36.1777 -365.777 GPRESSURE: 3647800 108.934 -160.442 -170.548 -156.48 13.4407 47.6834 -145.215 4.52827 -390.929 PRESSAVG: 3647800 23.4627 -21.5646 15.2882 -21.5646 -30.0157 10.1751 15.2882 10.1751 3.47671 GPRESSAVG: 3647800 23.5312 -20.0507 14.3125 -23.9013 -31.7473 9.36778 15.8937 11.7157 5.03419 TIMING: 3647800 CPU: 11531.1, 0.0031711/step Wall: 11531.1, 0.0031711/step, 1.1911 hours remaining, 238.664062 MB of memory in use. ENERGY: 3647800 3939.0584 20700.2222 14394.9771 242.3471 -203554.8980 2739.0219 0.0000 0.0000 52307.2860 -109231.9852 300.6107 -161539.2712 -108874.3341 300.0200 -114.4072 -89.5181 762603.4025 -1.0254 -1.0606 PRESSURE: 3648000 -113.95 93.8267 243.453 93.8263 -28.1754 43.0517 243.454 43.0512 -267.793 GPRESSURE: 3648000 -70.8101 76.7777 278.348 27.519 -2.21814 8.98153 195.819 71.1659 -257.72 PRESSAVG: 3648000 34.8762 -42.5257 23.158 -42.5258 -12.7004 14.3633 23.1579 14.3633 21.269 GPRESSAVG: 3648000 35.2535 -43.2689 24.3035 -42.3819 -12.9528 15.4356 21.2121 12.8407 20.4006 TIMING: 3648000 CPU: 11531.8, 0.00318154/step Wall: 11531.8, 0.00318154/step, 1.19485 hours remaining, 238.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3648000 3954.5311 20659.3315 14408.7874 225.6524 -203006.5811 2443.7035 0.0000 0.0000 51920.0172 -109394.5580 298.3851 -161314.5753 -109030.2625 299.2872 -136.6394 -110.2494 763525.7555 14.4816 14.2337 PRESSURE: 3648200 -67.9749 -67.9826 -96.2821 -67.9828 -105.387 -97.0528 -96.2832 -97.0526 -95.8459 GPRESSURE: 3648200 -158.028 -2.42125 -159.954 22.7389 -29.6272 -147.006 -5.34716 58.6627 -1.85888 PRESSAVG: 3648200 0.608962 44.3863 20.8665 44.3863 16.2606 19.6184 20.8665 19.6184 24.5205 GPRESSAVG: 3648200 -0.369517 44.7299 21.5853 45.3382 17.4947 19.0609 21.6243 20.5923 24.4006 TIMING: 3648200 CPU: 11532.4, 0.00321452/step Wall: 11532.4, 0.00321452/step, 1.20705 hours remaining, 238.664062 MB of memory in use. ENERGY: 3648200 4033.0152 20662.8536 14433.8086 249.6003 -203292.9781 2502.4578 0.0000 0.0000 51950.9470 -109460.2956 298.5628 -161411.2426 -109101.2633 299.6686 -89.7361 -63.1712 761203.1621 13.7967 13.8419 LDB: ============= START OF LOAD BALANCING ============== 11544.8 LDB: ============== END OF LOAD BALANCING =============== 11544.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11544.8 LDB: ============= START OF LOAD BALANCING ============== 11545.1 LDB: Largest compute 7034 load 0.035684 is 18.2% of average load 0.196068 LDB: Average compute 0.004400 is 2.2% of average load 0.196068 LDB: TIME 11545.1 LOAD: AVG 0.196068 MAX 0.218276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 11545.1 LOAD: AVG 0.196068 MAX 0.218276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 11545.1 LOAD: AVG 0.196068 MAX 0.218276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11545.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11545.2 PRESSURE: 3648400 70.4751 234.705 41.8799 234.705 -422.174 263.461 41.8805 263.46 62.3693 GPRESSURE: 3648400 132.484 184.695 48.241 241.97 -415.617 239.977 151.682 169 82.9042 PRESSAVG: 3648400 -7.53629 39.3864 -60.5144 39.3864 26.5467 15.1224 -60.5144 15.1223 7.36002 GPRESSAVG: 3648400 -6.77761 38.9027 -61.0995 38.4783 25.1881 14.8904 -60.2495 15.5873 8.09015 TIMING: 3648400 CPU: 11533.1, 0.00327331/step Wall: 11533.1, 0.00327331/step, 1.22895 hours remaining, 238.671875 MB of memory in use. ENERGY: 3648400 3973.8360 20744.1804 14491.6672 258.5555 -203444.9810 2387.3797 0.0000 0.0000 52129.5001 -109459.8620 299.5890 -161589.3622 -109094.5893 299.7788 -96.4431 -66.7428 761511.1693 8.7902 8.8336 PRESSURE: 3648600 -97.9345 -266.371 62.1293 -266.371 -315.286 121.954 62.1296 121.953 -293.465 GPRESSURE: 3648600 -71.054 -314.979 139.043 -112.618 -277.837 129.577 40.2309 154.109 -252.343 PRESSAVG: 3648600 -9.44136 -8.79313 31.0652 -8.7932 18.9788 -19.301 31.0653 -19.301 -21.6614 GPRESSAVG: 3648600 -9.90681 -9.3141 31.417 -8.45466 19.6644 -17.9678 30.7521 -20.2462 -21.9912 TIMING: 3648600 CPU: 11533.7, 0.00319688/step Wall: 11533.7, 0.00319688/step, 1.20007 hours remaining, 238.671875 MB of memory in use. ENERGY: 3648600 3965.5449 20549.1342 14420.2285 227.6051 -203485.7704 2410.2053 0.0000 0.0000 52426.1522 -109486.9004 301.2938 -161913.0525 -109111.0919 299.9934 -235.5618 -200.4114 760805.3987 -4.0413 -4.0779 PRESSURE: 3648800 -217.212 158.574 90.5848 158.574 -181.806 279.032 90.5829 279.032 221.666 GPRESSURE: 3648800 -366.255 114.957 191.227 184.274 3.87251 213.234 191.755 221.476 274.098 PRESSAVG: 3648800 -4.456 -26.7019 15.5921 -26.7018 -31.6235 31.1794 15.5921 31.1793 18.1537 GPRESSAVG: 3648800 -4.54249 -25.5118 15.7806 -26.5747 -31.517 30.4856 14.0811 32.8963 18.1284 TIMING: 3648800 CPU: 11534.3, 0.00319812/step Wall: 11534.3, 0.00319812/step, 1.20036 hours remaining, 238.671875 MB of memory in use. ENERGY: 3648800 3988.7799 20675.0788 14406.0615 258.1849 -203588.4356 2925.8794 0.0000 0.0000 51619.4669 -109714.9841 296.6578 -161334.4510 -109357.7913 299.3084 -59.1173 -29.4283 762672.9899 -5.9753 -5.9770 PRESSURE: 3649000 186.871 39.2119 -124.725 39.2123 -189.669 -58.5722 -124.725 -58.5713 -229.184 GPRESSURE: 3649000 181.568 -1.2978 -58.3853 64.8386 -66.3572 -0.65624 -79.6326 -124.259 -270.16 PRESSAVG: 3649000 18.3302 -0.893677 87.6676 -0.89364 -38.0011 -0.145349 87.6676 -0.145286 -17.6657 GPRESSAVG: 3649000 19.1197 -0.49584 86.9881 -0.710162 -37.7877 0.602612 88.8046 -1.12886 -18.558 TIMING: 3649000 CPU: 11535, 0.00317827/step Wall: 11535, 0.00317827/step, 1.19274 hours remaining, 238.671875 MB of memory in use. ENERGY: 3649000 4052.8854 20482.3755 14323.3179 233.5655 -203603.9034 2683.1497 0.0000 0.0000 52053.6174 -109774.9919 299.1529 -161828.6093 -109390.2126 298.6552 -77.3273 -51.6499 762159.1641 -12.4455 -12.4087 PRESSURE: 3649200 -116.465 179.225 370.652 179.224 -193.018 -63.386 370.652 -63.3863 -247.761 GPRESSURE: 3649200 -122.79 190.441 306.335 228.899 -165.641 -1.57191 208.233 -22.6869 -204.975 PRESSAVG: 3649200 0.884177 4.78312 -18.4281 4.78316 -9.5145 12.0932 -18.4282 12.0931 15.8093 GPRESSAVG: 3649200 -0.135073 2.89059 -18.3082 4.54645 -8.60552 10.7787 -19.0469 12.8361 15.978 TIMING: 3649200 CPU: 11535.6, 0.00313651/step Wall: 11535.6, 0.00313651/step, 1.17689 hours remaining, 238.671875 MB of memory in use. ENERGY: 3649200 4103.9293 20535.7995 14390.5228 240.0375 -203838.2679 2639.8541 0.0000 0.0000 52046.6364 -109881.4883 299.1127 -161928.1246 -109526.7905 298.4574 -185.7481 -164.4684 761749.8613 2.3930 2.4125 PRESSURE: 3649400 -15.2281 -225.015 66.0705 -225.014 -98.8522 125.708 66.0707 125.707 91.4013 GPRESSURE: 3649400 -14.1401 -190.041 31.9995 -232.022 -43.1013 89.1167 49.6078 239.171 116.141 PRESSAVG: 3649400 -5.02797 -12.3548 -7.81371 -12.3547 -32.9121 -4.23821 -7.81376 -4.23819 -11.7258 GPRESSAVG: 3649400 -4.96515 -11.2438 -7.99637 -12.8186 -34.0266 -3.16364 -6.48262 -3.80349 -10.2292 TIMING: 3649400 CPU: 11536.2, 0.00312175/step Wall: 11536.2, 0.00312175/step, 1.17118 hours remaining, 238.671875 MB of memory in use. ENERGY: 3649400 3978.3454 20690.1924 14310.4630 237.2533 -203535.2174 2604.0130 0.0000 0.0000 51846.4169 -109868.5333 297.9621 -161714.9502 -109510.4435 298.9722 -7.5597 19.6332 761611.8791 -16.5553 -16.4070 PRESSURE: 3649600 -83.8607 65.989 111.395 65.9899 -66.7293 -109.234 111.396 -109.234 -390.378 GPRESSURE: 3649600 -28.9782 32.566 136.853 78.3125 -60.5006 -108.722 185.216 13.7084 -372.748 PRESSAVG: 3649600 75.3931 0.432559 -11.4491 0.432564 -63.7352 18.3356 -11.4491 18.3356 -15.1462 GPRESSAVG: 3649600 75.907 -0.105037 -12.8634 1.28381 -63.783 18.1133 -10.7955 18.9082 -15.4719 TIMING: 3649600 CPU: 11536.9, 0.00311865/step Wall: 11536.9, 0.00311865/step, 1.16984 hours remaining, 238.671875 MB of memory in use. ENERGY: 3649600 3932.7439 20447.4331 14398.5102 236.1769 -203590.5050 2459.6310 0.0000 0.0000 52071.6200 -110044.3899 299.2563 -162116.0100 -109674.7908 298.6124 -180.3226 -154.0758 760523.8503 -1.1628 -1.1160 PRESSURE: 3649800 52.7961 -89.0547 176.304 -89.0539 157.082 -35.6745 176.304 -35.6752 -103.434 GPRESSURE: 3649800 6.21444 -84.6857 126.369 -64.3866 225.766 -125.861 134.866 -31.7939 -31.724 PRESSAVG: 3649800 -6.88413 50.8116 13.414 50.8117 9.97893 -22.9125 13.414 -22.9125 -0.903745 GPRESSAVG: 3649800 -7.91555 52.8369 14.9778 50.704 10.1971 -23.2422 12.646 -25.2419 -0.797395 TIMING: 3649800 CPU: 11537.5, 0.00312508/step Wall: 11537.5, 0.00312508/step, 1.17208 hours remaining, 238.671875 MB of memory in use. ENERGY: 3649800 3927.9189 20461.3350 14323.9853 233.2191 -203517.4135 2729.6088 0.0000 0.0000 51913.5786 -109927.7679 298.3480 -161841.3465 -109560.9544 298.5189 35.4815 66.7521 761193.1725 0.7304 0.4947 PRESSURE: 3650000 26.6269 71.283 8.10731 71.2836 14.9589 60.7262 8.10772 60.7261 -383.284 GPRESSURE: 3650000 59.6347 66.4503 22.8362 -51.2507 18.9039 79.2106 -84.3716 108.029 -335.447 PRESSAVG: 3650000 -47.015 -45.5517 6.76127 -45.5517 42.8211 0.552361 6.76129 0.55239 18.1749 GPRESSAVG: 3650000 -48.2131 -46.9095 7.22403 -45.5728 43.2233 1.1028 7.81839 -0.0549476 18.8352 TIMING: 3650000 CPU: 11538.1, 0.00313715/step Wall: 11538.1, 0.00313715/step, 1.17643 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3650000 3934.1484 20551.8976 14375.6084 253.1927 -203839.5425 2412.9116 0.0000 0.0000 52191.8431 -110119.9407 299.9472 -162311.7837 -109758.0639 298.5303 -113.8994 -85.6362 758724.0593 4.6603 4.6151 PRESSURE: 3650200 -121.126 -126.452 -99.3723 -126.453 124.985 -55.0754 -99.3723 -55.0752 -530.646 GPRESSURE: 3650200 -69.2709 -127.202 13.691 -99.6839 117.443 -15.2826 -86.3385 14.2119 -477.376 PRESSAVG: 3650200 -30.6306 -35.4538 22.5539 -35.4538 20.1515 32.698 22.5538 32.6979 11.9008 GPRESSAVG: 3650200 -30.2464 -36.1613 22.9987 -37.6924 19.892 32.3441 22.6259 32.4634 11.4614 TIMING: 3650200 CPU: 11538.7, 0.00313068/step Wall: 11538.7, 0.00313068/step, 1.17383 hours remaining, 238.671875 MB of memory in use. ENERGY: 3650200 3959.6248 20546.2660 14349.8536 211.5641 -203408.3296 2461.7045 0.0000 0.0000 51918.4410 -109960.8755 298.3760 -161879.3165 -109606.3387 298.8854 -175.5956 -143.0677 758415.1166 0.4739 0.3690 PRESSURE: 3650400 -278.986 32.0114 41.4672 32.0106 -355.234 -41.6659 41.4677 -41.6652 -218.416 GPRESSURE: 3650400 -290.178 -5.60129 49.8245 12.5184 -330.298 -89.7123 39.6148 -19.2386 -137.601 PRESSAVG: 3650400 -27.1134 -44.8531 14.5466 -44.8531 28.7859 72.6505 14.5466 72.6505 13.7283 GPRESSAVG: 3650400 -26.909 -44.6913 13.9006 -42.9423 29.2996 73.1362 14.9129 71.133 13.5311 TIMING: 3650400 CPU: 11539.4, 0.00313858/step Wall: 11539.4, 0.00313858/step, 1.17662 hours remaining, 238.671875 MB of memory in use. ENERGY: 3650400 3951.2484 20352.2541 14396.4775 244.2674 -203431.2183 2517.3069 0.0000 0.0000 52016.5322 -109953.1317 298.9397 -161969.6639 -109589.9666 298.6173 -284.2119 -252.6923 760783.3716 5.1336 5.3072 PRESSURE: 3650600 -448.422 56.0901 168.451 56.09 -282.31 -192.432 168.451 -192.433 -30.8376 GPRESSURE: 3650600 -413.792 32.1921 195.583 44.3174 -202.757 -171.747 237.781 -172.364 -42.9948 PRESSAVG: 3650600 -12.1028 -24.3101 -104.561 -24.3101 -17.6795 -6.72947 -104.561 -6.72952 17.7666 GPRESSAVG: 3650600 -10.9889 -23.2984 -105.385 -23.3855 -19.5934 -7.39031 -102.989 -3.24377 18.3934 TIMING: 3650600 CPU: 11540, 0.00315465/step Wall: 11540, 0.00315465/step, 1.18247 hours remaining, 238.671875 MB of memory in use. ENERGY: 3650600 3999.3335 20601.6559 14401.3767 236.2774 -203463.0265 2597.7783 0.0000 0.0000 51868.5172 -109758.0875 298.0891 -161626.6047 -109404.7023 298.4627 -253.8564 -219.8479 761340.2947 -4.0052 -4.0629 PRESSURE: 3650800 -22.1395 16.8159 -16.7076 16.816 -118.204 -27.3962 -16.7074 -27.3959 10.1427 GPRESSURE: 3650800 -15.105 -143.638 -81.2195 45.481 -85.31 -20.3502 -45.8561 -79.5631 38.7021 PRESSAVG: 3650800 -43.2564 -70.2643 21.5275 -70.2644 18.9946 62.6772 21.5275 62.6772 -3.85918 GPRESSAVG: 3650800 -45.4136 -68.9974 22.42 -72.5321 21.992 62.1795 18.7789 59.3963 -4.47573 TIMING: 3650800 CPU: 11540.6, 0.00312936/step Wall: 11540.6, 0.00312936/step, 1.17281 hours remaining, 238.671875 MB of memory in use. ENERGY: 3650800 4010.0924 20411.4736 14344.5116 251.0400 -203691.9647 2905.6048 0.0000 0.0000 51945.5154 -109823.7269 298.5316 -161769.2423 -109463.1094 299.1809 -43.4002 -20.5710 760724.0794 -9.3737 -9.2991 PRESSURE: 3651000 -297.924 -92.5266 115.991 -92.5267 205.833 -90.6238 115.992 -90.624 23.176 GPRESSURE: 3651000 -210.19 -80.2349 90.791 -91.9715 259.035 -42.2993 260.6 -116.71 -45.2837 PRESSAVG: 3651000 24.3594 39.7965 -16.6964 39.7965 -14.3861 -52.2231 -16.6964 -52.2231 -11.551 GPRESSAVG: 3651000 26.2474 39.6207 -17.525 40.8039 -16.158 -52.4532 -13.5706 -52.1597 -11.9894 TIMING: 3651000 CPU: 11541.3, 0.00314883/step Wall: 11541.3, 0.00314883/step, 1.17994 hours remaining, 238.671875 MB of memory in use. ENERGY: 3651000 3990.4923 20199.0045 14443.9013 246.9476 -203606.4452 2602.1935 0.0000 0.0000 52131.4472 -109992.4588 299.6001 -162123.9060 -109627.5452 298.7329 -22.9717 1.1871 760194.9028 -0.5259 -0.6333 PRESSURE: 3651200 -303.368 137.445 49.8041 137.445 -46.0026 -192.435 49.8052 -192.435 -16.2341 GPRESSURE: 3651200 -218.367 96.5708 -13.2013 133.438 -45.5321 -190.612 -6.32625 -161.095 -12.0837 PRESSAVG: 3651200 -67.3817 12.4154 -29.1059 12.4154 54.9014 -58.3561 -29.106 -58.3562 9.14896 GPRESSAVG: 3651200 -67.4549 11.4132 -27.916 14.2105 55.2247 -57.9908 -32.7904 -54.3152 8.90639 TIMING: 3651200 CPU: 11541.9, 0.00314253/step Wall: 11541.9, 0.00314253/step, 1.1774 hours remaining, 238.671875 MB of memory in use. ENERGY: 3651200 3980.3516 20523.9286 14426.7998 235.8499 -203704.4589 2615.0335 0.0000 0.0000 51791.4468 -110131.0487 297.6462 -161922.4954 -109772.3306 298.4997 -121.8681 -91.9941 760535.9264 -1.1105 -1.1080 PRESSURE: 3651400 291.205 6.96828 73.2602 6.96872 -82.1332 75.7142 73.2606 75.7149 5.54801 GPRESSURE: 3651400 260.71 -7.03323 -52.382 -98.3467 1.13372 71.8407 118.651 49.0595 35.5968 PRESSAVG: 3651400 -21.1008 16.3717 -6.4303 16.3717 9.04519 -16.5903 -6.43036 -16.5903 17.5572 GPRESSAVG: 3651400 -21.7155 16.5755 -5.93928 14.7778 8.89406 -17.375 -6.90671 -18.4425 18.4807 TIMING: 3651400 CPU: 11542.5, 0.00315419/step Wall: 11542.5, 0.00315419/step, 1.18159 hours remaining, 238.671875 MB of memory in use. ENERGY: 3651400 4036.3069 20592.0436 14423.0014 230.6070 -204196.9033 2608.8380 0.0000 0.0000 52148.0918 -110158.0146 299.6958 -162306.1064 -109792.5440 298.3271 71.5400 99.1470 758113.4056 1.8339 1.8864 PRESSURE: 3651600 96.685 135.3 -222.394 135.3 280.149 19.306 -222.394 19.3073 223.885 GPRESSURE: 3651600 146.443 98.1177 -310.24 63.3073 354.642 27.469 -170.21 -2.07822 189.509 PRESSAVG: 3651600 -18.1008 -47.5218 -24.3572 -47.5218 28.4754 28.3299 -24.3571 28.3299 44.1159 GPRESSAVG: 3651600 -18.6841 -48.8131 -23.7633 -47.2896 29.9733 27.8977 -23.3241 28.9587 44.3434 TIMING: 3651600 CPU: 11543.1, 0.00316359/step Wall: 11543.1, 0.00316359/step, 1.18494 hours remaining, 238.671875 MB of memory in use. ENERGY: 3651600 3924.4169 20586.6910 14414.0506 243.6825 -203508.6377 2447.3035 0.0000 0.0000 51931.5948 -109960.8984 298.4516 -161892.4932 -109607.1893 298.4090 200.2394 230.1983 758130.8213 18.1635 18.5442 PRESSURE: 3651800 36.6419 31.0802 -287.689 31.0808 50.6712 42.0964 -287.69 42.0965 414.929 GPRESSURE: 3651800 64.0293 -61.7267 -274.134 180.896 143.486 65.5658 -183.081 143.101 366.928 PRESSAVG: 3651800 73.7829 -12.5093 -45.9738 -12.5093 -20.2106 -36.8929 -45.9738 -36.8928 20.8576 GPRESSAVG: 3651800 74.2907 -13.5909 -46.061 -11.1025 -21.1588 -37.0188 -46.561 -36.0314 20.8442 TIMING: 3651800 CPU: 11543.8, 0.00317491/step Wall: 11543.8, 0.00317491/step, 1.189 hours remaining, 238.671875 MB of memory in use. ENERGY: 3651800 3877.3249 20602.2418 14319.6616 246.9378 -203666.3324 2694.2831 0.0000 0.0000 52099.5790 -109826.3041 299.4170 -161925.8831 -109463.6784 298.7866 167.4139 191.4811 758442.1335 24.8100 24.6587 PRESSURE: 3652000 -132.554 34.1899 264.1 34.19 183.265 -273.139 264.1 -273.138 172.152 GPRESSURE: 3652000 -88.4618 -36.6475 219.358 -186.906 282.463 -217.362 352.926 -219.55 110.634 PRESSAVG: 3652000 -25.2182 -5.6934 -7.13447 -5.69332 -2.51521 -7.52065 -7.13446 -7.52069 -38.3859 GPRESSAVG: 3652000 -24.526 -4.55783 -7.95563 -6.26062 -2.60429 -6.4911 -6.20657 -10.7975 -38.1039 TIMING: 3652000 CPU: 11544.4, 0.00317963/step Wall: 11544.4, 0.00317963/step, 1.19059 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3652000 3936.7642 20718.0611 14399.1522 265.3720 -203308.3118 2346.2973 0.0000 0.0000 52017.6757 -109624.9894 298.9463 -161642.6651 -109274.2610 298.6206 74.2880 101.5451 758375.3763 -22.0398 -21.7447 PRESSURE: 3652200 -134.193 -50.3818 -123.792 -50.3822 335.365 58.0197 -123.792 58.0201 254.181 GPRESSURE: 3652200 1.74569 -95.3257 -191.794 -8.718 335.382 63.7701 -225.971 160.559 188.204 PRESSAVG: 3652200 -45.3275 -17.0747 -39.6279 -17.0747 62.7365 7.21929 -39.6279 7.21923 2.4579 GPRESSAVG: 3652200 -46.029 -15.2545 -41.2257 -19.1704 63.8706 6.8947 -37.7595 9.33333 1.48584 TIMING: 3652200 CPU: 11545.1, 0.00317591/step Wall: 11545.1, 0.00317591/step, 1.18903 hours remaining, 238.671875 MB of memory in use. ENERGY: 3652200 3977.4886 20542.3735 14402.8679 253.9097 -203534.4495 2719.7649 0.0000 0.0000 51814.9453 -109823.0996 297.7812 -161638.0448 -109472.1398 298.6960 151.7843 175.1107 760387.9104 6.6223 6.4425 LDB: ============= START OF LOAD BALANCING ============== 11557.5 LDB: ============== END OF LOAD BALANCING =============== 11557.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11557.5 LDB: ============= START OF LOAD BALANCING ============== 11557.8 LDB: Largest compute 7026 load 0.034656 is 17.7% of average load 0.196068 LDB: Average compute 0.004401 is 2.2% of average load 0.196068 LDB: TIME 11557.8 LOAD: AVG 0.196068 MAX 0.220032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.93 MB LDB: TIME 11557.8 LOAD: AVG 0.196068 MAX 0.220032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.949 MB LDB: TIME 11557.8 LOAD: AVG 0.196068 MAX 0.220032 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11557.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11557.8 PRESSURE: 3652400 306.994 244.909 212.991 244.909 609.935 -17.0681 212.992 -17.068 323.785 GPRESSURE: 3652400 295.92 216.346 110.174 143.7 590.22 14.9092 187.452 -25.92 420.484 PRESSAVG: 3652400 13.6853 -16.3639 -78.667 -16.3639 19.4388 26.0449 -78.6669 26.0449 50.2712 GPRESSAVG: 3652400 13.2638 -20.3068 -77.9889 -12.2937 17.9245 25.1666 -80.3525 27.0095 51.3676 TIMING: 3652400 CPU: 11545.7, 0.00325857/step Wall: 11545.7, 0.00325857/step, 1.21979 hours remaining, 239.125000 MB of memory in use. ENERGY: 3652400 3996.7225 20363.1517 14480.3209 240.6506 -203387.2369 2689.7032 0.0000 0.0000 51691.9804 -109924.7077 297.0745 -161616.6881 -109565.6576 298.5651 413.5714 435.5415 759818.3847 27.7985 27.5186 PRESSURE: 3652600 -10.885 87.4485 -182.146 87.4476 110.662 -47.7585 -182.146 -47.758 237.012 GPRESSURE: 3652600 -92.8767 97.527 -177.918 -26.0372 228.262 -116.427 -139.82 -69.5983 274.526 PRESSAVG: 3652600 -21.0002 6.68969 -81.4296 6.68965 26.6855 25.5495 -81.4296 25.5495 -4.95138 GPRESSAVG: 3652600 -20.9637 10.3364 -80.632 3.30676 26.7877 27.0619 -80.1359 23.993 -4.9645 TIMING: 3652600 CPU: 11546.3, 0.00318482/step Wall: 11546.3, 0.00318482/step, 1.19201 hours remaining, 239.191406 MB of memory in use. ENERGY: 3652600 3952.3746 20330.0899 14429.0593 244.6627 -203728.0423 2907.8048 0.0000 0.0000 51871.6040 -109992.4470 298.1068 -161864.0511 -109635.2240 298.6670 112.2630 136.6372 760605.2734 0.2447 0.2865 PRESSURE: 3652800 -98.4953 -90.1744 -110.532 -90.1745 387.742 152.404 -110.533 152.404 -74.7133 GPRESSURE: 3652800 -80.6577 -38.2801 -37.17 -125.808 455.072 138.895 -143.559 160.219 -57.09 PRESSAVG: 3652800 -10.3555 -26.5147 -23.4002 -26.5147 8.29722 10.4738 -23.4002 10.4738 -4.8316 GPRESSAVG: 3652800 -10.248 -27.5975 -23.9201 -25.7461 8.92944 11.8146 -25.0761 10.2895 -5.30053 TIMING: 3652800 CPU: 11547, 0.00316515/step Wall: 11547, 0.00316515/step, 1.18447 hours remaining, 239.191406 MB of memory in use. ENERGY: 3652800 3923.5062 20567.2931 14382.0089 258.7858 -203631.1631 2730.0895 0.0000 0.0000 51828.2120 -109941.2676 297.8574 -161769.4797 -109586.3957 298.5800 71.5112 105.7748 760731.3582 -2.2966 -2.2064 PRESSURE: 3653000 45.4373 91.9803 -45.6893 91.981 -38.6552 86.2465 -45.6908 86.2455 -186.76 GPRESSURE: 3653000 93.7337 131.063 -38.6802 178.81 42.058 70.1722 -18.0623 101.794 -219.459 PRESSAVG: 3653000 -38.0984 4.03366 -20.0165 4.03364 -35.3133 -18.153 -20.0165 -18.153 -2.95692 GPRESSAVG: 3653000 -37.6677 3.81128 -19.7156 5.18839 -35.4628 -18.1257 -18.9266 -19.1791 -3.32444 TIMING: 3653000 CPU: 11547.6, 0.00320072/step Wall: 11547.6, 0.00320072/step, 1.1976 hours remaining, 239.191406 MB of memory in use. ENERGY: 3653000 4021.9513 20565.2886 14309.1860 252.9511 -203465.0139 2613.2085 0.0000 0.0000 51894.4031 -109808.0253 298.2378 -161702.4284 -109446.9629 298.5422 -59.9926 -27.8890 762196.2382 -25.4562 -25.4850 PRESSURE: 3653200 -52.4005 190.483 161.552 190.483 -20.2616 114.288 161.552 114.289 -378.545 GPRESSURE: 3653200 -2.74007 279.296 215.231 107.348 -63.1168 205.668 140.765 150.218 -305.594 PRESSAVG: 3653200 14.0985 23.9736 -10.8651 23.9737 19.8876 -0.528918 -10.8651 -0.528961 -14.4041 GPRESSAVG: 3653200 13.7959 23.8423 -10.3315 23.5538 19.5374 -1.9236 -9.41246 -0.0422902 -14.5755 TIMING: 3653200 CPU: 11548.2, 0.00318631/step Wall: 11548.2, 0.00318631/step, 1.19203 hours remaining, 239.191406 MB of memory in use. ENERGY: 3653200 4026.3886 20512.8641 14357.1963 243.5977 -203368.2240 2448.5921 0.0000 0.0000 51876.6286 -109902.9565 298.1357 -161779.5852 -109544.7153 298.3089 -150.4024 -123.8169 761514.9619 6.5273 6.2526 PRESSURE: 3653400 152.086 -45.8623 124.291 -45.8624 -15.7244 134.325 124.291 134.326 120.165 GPRESSURE: 3653400 183.226 -13.663 71.4814 -45.6293 50.9913 138.782 55.8278 102.903 96.0584 PRESSAVG: 3653400 16.142 -21.7891 10.569 -21.7891 -18.8648 -24.2793 10.5689 -24.2793 18.5893 GPRESSAVG: 3653400 15.9544 -22.103 9.24662 -21.7784 -19.2501 -22.397 10.4602 -23.7853 18.5627 TIMING: 3653400 CPU: 11548.9, 0.00319265/step Wall: 11548.9, 0.00319265/step, 1.19423 hours remaining, 239.191406 MB of memory in use. ENERGY: 3653400 3920.8372 20365.2557 14390.5990 245.8385 -203739.3517 2770.2264 0.0000 0.0000 52157.0186 -109889.5762 299.7471 -162046.5948 -109524.0384 298.8599 85.5090 110.0919 761510.2747 5.2889 5.0890 PRESSURE: 3653600 51.2317 108.594 0.204264 108.594 -110.566 -148.208 0.204201 -148.209 131.254 GPRESSURE: 3653600 117.388 207.386 53.1419 60.9055 -39.7251 -166.813 -44.5146 -36.9926 87.2923 PRESSAVG: 3653600 20.964 21.0441 -3.73942 21.0441 -35.0559 -5.00496 -3.73941 -5.00497 6.99979 GPRESSAVG: 3653600 20.7087 22.4693 -3.42988 21.2772 -34.4729 -6.6008 -4.03326 -3.74896 7.26984 TIMING: 3653600 CPU: 11549.5, 0.00319336/step Wall: 11549.5, 0.00319336/step, 1.19432 hours remaining, 239.191406 MB of memory in use. ENERGY: 3653600 4077.6367 20495.7716 14392.0402 260.6708 -203415.5626 2666.6833 0.0000 0.0000 51663.2157 -109859.5443 296.9092 -161522.7600 -109507.0037 298.1576 23.9734 54.9850 762482.7442 -2.3640 -2.1648 PRESSURE: 3653800 196.943 106.251 86.8647 106.251 346.164 14.4889 86.8646 14.4894 -90.42 GPRESSURE: 3653800 225.175 61.5672 65.3474 133.306 361.589 33.6893 193.927 -0.563977 -48.8541 PRESSAVG: 3653800 36.513 21.6244 -13.9994 21.6244 -14.1798 -16.0437 -13.9994 -16.0436 5.61416 GPRESSAVG: 3653800 37.0255 20.7935 -13.7364 20.1278 -13.4173 -14.6333 -15.2173 -15.003 4.68063 TIMING: 3653800 CPU: 11550.2, 0.00318759/step Wall: 11550.2, 0.00318759/step, 1.19198 hours remaining, 239.191406 MB of memory in use. ENERGY: 3653800 3880.5873 20412.2133 14375.0451 266.8251 -203637.6518 2683.3167 0.0000 0.0000 52036.1698 -109983.4945 299.0526 -162019.6643 -109616.3990 298.5016 150.8956 179.3034 760687.3443 9.3158 9.4296 PRESSURE: 3654000 359.944 -69.1681 256.743 -69.1681 -16.8314 162.62 256.743 162.62 187.011 GPRESSURE: 3654000 381.767 -106.516 256.905 -101.388 19.9808 68.3953 197.602 176.615 201.086 PRESSAVG: 3654000 3.96259 25.4994 -3.49351 25.4995 -26.2019 18.746 -3.49354 18.746 1.39853 GPRESSAVG: 3654000 3.05514 27.2417 -2.98797 25.607 -26.0724 16.1978 -3.6363 17.0083 2.29244 TIMING: 3654000 CPU: 11550.8, 0.00318475/step Wall: 11550.8, 0.00318475/step, 1.19074 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3654000 3961.4826 20470.7811 14401.7240 234.8953 -203987.5695 2863.7768 0.0000 0.0000 52168.6714 -109886.2383 299.8141 -162054.9097 -109529.3694 298.3920 176.7081 200.9449 760668.5371 -6.9469 -6.9083 PRESSURE: 3654200 -133.584 -15.6442 -146.239 -15.6446 72.0343 -373.531 -146.238 -373.532 10.1898 GPRESSURE: 3654200 -86.2941 4.99378 -185.749 -65.0343 35.4619 -311.579 -32.7038 -366.234 84.999 PRESSAVG: 3654200 39.6787 -39.2646 -8.32859 -39.2646 -32.5256 -39.6545 -8.32857 -39.6545 11.8787 GPRESSAVG: 3654200 39.1191 -39.03 -9.14969 -39.275 -32.6535 -40.8442 -8.54282 -39.5422 12.6783 TIMING: 3654200 CPU: 11551.4, 0.00316176/step Wall: 11551.4, 0.00316176/step, 1.18197 hours remaining, 239.191406 MB of memory in use. ENERGY: 3654200 4017.2750 20496.0546 14382.0255 241.1893 -203444.0618 2660.7645 0.0000 0.0000 51972.3097 -109674.4433 298.6856 -161646.7529 -109307.9828 299.0256 -17.1198 11.3889 760168.7592 6.3439 6.3813 PRESSURE: 3654400 7.54483 199.101 33.4115 199.101 -23.7631 144.935 33.4119 144.934 -130.648 GPRESSURE: 3654400 97.9911 210.935 19.3685 46.3053 -61.0996 170.266 197.446 57.513 -72.5005 PRESSAVG: 3654400 -31.897 51.3178 13.0576 51.3177 27.5663 33.9518 13.0576 33.9518 12.8928 GPRESSAVG: 3654400 -30.9745 49.1058 15.1991 52.323 27.1567 35.0898 14.6741 35.0654 12.5657 TIMING: 3654400 CPU: 11552.1, 0.0031462/step Wall: 11552.1, 0.0031462/step, 1.17598 hours remaining, 239.191406 MB of memory in use. ENERGY: 3654400 4004.4977 20271.7357 14494.0534 243.8555 -203205.8438 2579.1066 0.0000 0.0000 52184.9687 -109427.6261 299.9077 -161612.5949 -109068.3908 299.7203 -48.9555 -11.8697 760899.4857 2.8540 2.9160 PRESSURE: 3654600 112.918 34.7455 -10.181 34.7459 -260.211 41.0642 -10.1809 41.064 -5.9891 GPRESSURE: 3654600 138.593 74.5943 -16.7077 -22.718 -155.701 20.0833 -97.165 -74.6711 -38.9813 PRESSAVG: 3654600 15.7698 16.958 24.4188 16.9581 0.0177489 23.5267 24.4187 23.5267 8.931 GPRESSAVG: 3654600 17.2041 17.8142 22.7854 15.8627 0.42076 23.3903 24.6694 20.5596 7.15809 TIMING: 3654600 CPU: 11552.7, 0.00317273/step Wall: 11552.7, 0.00317273/step, 1.18572 hours remaining, 239.191406 MB of memory in use. ENERGY: 3654600 3997.1858 20520.4150 14411.4043 248.4828 -203855.8180 2949.9967 0.0000 0.0000 52281.8651 -109446.4682 300.4646 -161728.3333 -109087.6596 299.6116 -51.0940 -18.6963 760115.0632 8.2395 8.2610 PRESSURE: 3654800 -129.901 39.9991 11.336 39.999 -107.612 -243.63 11.3362 -243.631 -153.552 GPRESSURE: 3654800 -107.289 -18.2224 32.3816 21.4112 -93.4463 -143.622 -22.7585 -29.7455 -119.668 PRESSAVG: 3654800 -13.0155 13.4602 -9.45498 13.4602 6.89766 -28.5754 -9.45489 -28.5754 1.72936 GPRESSAVG: 3654800 -15.898 12.1011 -8.38986 14.3611 6.77285 -28.3017 -11.83 -25.453 4.17792 TIMING: 3654800 CPU: 11553.3, 0.00318045/step Wall: 11553.3, 0.00318045/step, 1.18843 hours remaining, 239.191406 MB of memory in use. ENERGY: 3654800 3966.9311 20627.2330 14462.4346 265.2171 -203283.8343 2534.4961 0.0000 0.0000 52177.7709 -109249.7515 299.8664 -161427.5224 -108879.7691 299.5725 -130.3552 -106.8013 761990.3656 -1.4628 -1.6491 PRESSURE: 3655000 -158.811 -157.021 160.828 -157.021 -52.2343 211.057 160.828 211.058 -202.529 GPRESSURE: 3655000 -156.525 -130.25 109.908 -18.3757 -39.0047 350.148 145.859 257.524 -128.242 PRESSAVG: 3655000 26.8332 12.2352 -40.3584 12.2352 13.1888 13.622 -40.3585 13.6221 4.08013 GPRESSAVG: 3655000 27.7922 14.8655 -40.5897 12.0005 12.6314 13.9761 -39.6139 14.8415 3.1508 TIMING: 3655000 CPU: 11554, 0.00319614/step Wall: 11554, 0.00319614/step, 1.19411 hours remaining, 239.191406 MB of memory in use. ENERGY: 3655000 4045.9062 20705.5596 14396.2585 243.1792 -203561.4410 2648.9941 0.0000 0.0000 52096.7339 -109424.8095 299.4006 -161521.5434 -109064.9520 299.5345 -137.8580 -107.9240 762040.9429 14.7007 14.5248 PRESSURE: 3655200 307.726 169.645 -8.39192 169.645 -134.17 -118.26 -8.39114 -118.261 36.0644 GPRESSURE: 3655200 329.415 87.1814 -27.3399 133.069 -119.997 -207.882 55.7108 -72.8417 112.274 PRESSAVG: 3655200 5.98374 -41.0803 4.42504 -41.0803 17.1344 -42.1081 4.42508 -42.1081 -9.5316 GPRESSAVG: 3655200 5.66858 -42.7654 3.98398 -41.8417 16.1159 -41.8537 3.55139 -45.1987 -8.32961 TIMING: 3655200 CPU: 11554.6, 0.00318665/step Wall: 11554.6, 0.00318665/step, 1.19039 hours remaining, 239.191406 MB of memory in use. ENERGY: 3655200 4101.9737 20761.6346 14368.9994 264.1995 -203873.0128 2927.3251 0.0000 0.0000 52197.2937 -109251.5869 299.9786 -161448.8806 -108887.1372 299.6929 69.8733 107.2304 761624.7624 4.5289 4.4850 PRESSURE: 3655400 -3.35041 44.1634 123.874 44.1631 -84.8118 -152.406 123.875 -152.406 -14.9316 GPRESSURE: 3655400 107.555 99.1065 66.3869 -38.9838 -133.237 -124.042 80.6744 10.997 15.965 PRESSAVG: 3655400 8.24333 20.3582 -27.0256 20.3581 12.1806 -104.893 -27.0256 -104.893 1.49457 GPRESSAVG: 3655400 9.27714 22.0711 -26.381 19.3799 12.9849 -104.223 -27.5055 -104.455 -0.452707 TIMING: 3655400 CPU: 11555.3, 0.00321268/step Wall: 11555.3, 0.00321268/step, 1.19993 hours remaining, 239.191406 MB of memory in use. ENERGY: 3655400 4020.1939 20490.0115 14470.2420 258.3673 -203000.2537 2566.0600 0.0000 0.0000 52255.6768 -108939.7022 300.3141 -161195.3790 -108578.1817 300.1628 -34.3646 -3.2391 763356.7149 7.3062 7.2698 PRESSURE: 3655600 -93.4154 152.801 -136.327 152.802 -283.485 48.4616 -136.327 48.4614 -282.119 GPRESSURE: 3655600 -76.421 48.6346 -56.2476 21.6635 -282.388 158.987 -244.527 -19.9138 -205.134 PRESSAVG: 3655600 45.0765 -10.2479 -15.1058 -10.2479 -1.36868 11.4529 -15.1058 11.4529 -20.0072 GPRESSAVG: 3655600 45.764 -11.0592 -15.8127 -10.6063 -1.52825 10.9546 -14.3266 10.9399 -20.0404 TIMING: 3655600 CPU: 11555.9, 0.00321318/step Wall: 11555.9, 0.00321318/step, 1.19994 hours remaining, 239.191406 MB of memory in use. ENERGY: 3655600 3917.5220 20507.1993 14477.7006 254.7829 -202945.9270 2562.4443 0.0000 0.0000 52075.7775 -109150.5005 299.2802 -161226.2781 -108790.3752 300.0518 -219.6729 -187.9812 762906.0864 7.9002 8.0651 PRESSURE: 3655800 -397.739 -32.3183 76.5346 -32.3183 -351.041 -17.4912 76.5344 -17.4914 -301.987 GPRESSURE: 3655800 -324.133 -6.99672 39.9988 13.57 -306.23 -21.0946 35.6797 27.4656 -315.752 PRESSAVG: 3655800 -12.8679 -24.107 5.02594 -24.107 -33.4585 -73.9519 5.02599 -73.9519 20.9152 GPRESSAVG: 3655800 -14.2819 -24.2844 5.04763 -22.5909 -32.4164 -72.3574 5.54488 -72.2596 21.2302 TIMING: 3655800 CPU: 11556.5, 0.00317549/step Wall: 11556.5, 0.00317549/step, 1.18569 hours remaining, 239.191406 MB of memory in use. ENERGY: 3655800 4068.9061 20508.7028 14473.4005 229.3054 -203183.5925 2552.9418 0.0000 0.0000 52083.9976 -109266.3383 299.3275 -161350.3359 -108904.2073 299.5393 -350.2556 -315.3718 762136.1564 -8.4704 -8.4894 PRESSURE: 3656000 128.204 183.218 188.892 183.218 327.182 40.7249 188.893 40.7249 25.776 GPRESSURE: 3656000 196.465 199.667 229.938 25.4011 289.685 93.433 100.586 -198.387 68.5106 PRESSAVG: 3656000 20.6218 38.3411 39.1227 38.3411 20.3328 -30.4655 39.1228 -30.4655 12.5897 GPRESSAVG: 3656000 20.374 37.8249 41.0459 39.2616 20.1277 -31.0293 39.1433 -31.276 13.1296 TIMING: 3656000 CPU: 11557.2, 0.00317108/step Wall: 11557.2, 0.00317108/step, 1.18387 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3656000 3965.8992 20657.4655 14422.4524 245.4130 -202916.3516 2305.8170 0.0000 0.0000 52033.6260 -109285.6785 299.0380 -161319.3045 -108928.1318 299.4514 160.3875 184.8866 759889.7728 17.8481 17.8771 PRESSURE: 3656200 329.324 75.0625 82.2343 75.0625 159.854 171.501 82.2347 171.5 -116.008 GPRESSURE: 3656200 388.638 72.2635 73.1305 66.6125 187.542 132.42 59.6268 6.90334 -125.26 PRESSAVG: 3656200 42.3723 31.1026 -7.01153 31.1027 -26.3104 43.9493 -7.01152 43.9492 3.73568 GPRESSAVG: 3656200 43.6606 30.9206 -8.20107 32.1557 -27.1163 43.3649 -7.50653 43.903 3.234 TIMING: 3656200 CPU: 11557.8, 0.00317902/step Wall: 11557.8, 0.00317902/step, 1.18666 hours remaining, 239.191406 MB of memory in use. ENERGY: 3656200 3946.0140 20641.0159 14454.4579 260.2803 -203155.8958 2540.2106 0.0000 0.0000 52035.5491 -109278.3680 299.0490 -161313.9171 -108902.5925 299.6705 124.3899 150.3066 760577.8852 6.5992 6.5927 LDB: ============= START OF LOAD BALANCING ============== 11570.2 LDB: ============== END OF LOAD BALANCING =============== 11570.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11570.2 LDB: ============= START OF LOAD BALANCING ============== 11570.5 LDB: Largest compute 7026 load 0.031803 is 16.2% of average load 0.196045 LDB: Average compute 0.004399 is 2.2% of average load 0.196045 LDB: TIME 11570.5 LOAD: AVG 0.196045 MAX 0.217512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 11570.5 LOAD: AVG 0.196045 MAX 0.217512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 11570.5 LOAD: AVG 0.196045 MAX 0.217512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 11570.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11570.5 PRESSURE: 3656400 330.884 -45.0194 -170.99 -45.0191 -5.97138 -70.9699 -170.991 -70.9691 35.5321 GPRESSURE: 3656400 286.344 -72.4334 -222.209 -91.9815 76.958 -112.887 -160.888 -84.1784 64.8525 PRESSAVG: 3656400 2.47255 -37.2731 6.89761 -37.2731 -4.30583 -28.3128 6.89759 -28.3128 21.756 GPRESSAVG: 3656400 2.22546 -36.5798 6.29828 -39.4882 -2.85843 -28.6546 9.38166 -28.6073 20.3829 TIMING: 3656400 CPU: 11558.5, 0.00326203/step Wall: 11558.5, 0.00326203/step, 1.21746 hours remaining, 239.636719 MB of memory in use. ENERGY: 3656400 4024.5002 20680.1999 14439.2545 249.3333 -203563.4368 2790.1998 0.0000 0.0000 51942.9428 -109437.0063 298.5168 -161379.9491 -109074.1423 299.8115 120.1481 142.7183 760549.3571 6.6409 6.5833 PRESSURE: 3656600 77.3949 -211.741 34.4755 -211.74 -242.072 -150.47 34.4749 -150.47 164.793 GPRESSURE: 3656600 92.7971 -47.6167 61.4003 -246.885 -146.75 -61.9354 15.7249 -90.0859 123.291 PRESSAVG: 3656600 4.20483 -45.4736 0.678576 -45.4736 -3.32656 -42.8989 0.678526 -42.899 35.0626 GPRESSAVG: 3656600 3.75715 -47.2692 1.50028 -43.6584 -3.32293 -41.5718 -0.743873 -42.2687 35.6832 TIMING: 3656600 CPU: 11559.1, 0.00319006/step Wall: 11559.1, 0.00319006/step, 1.19042 hours remaining, 239.839844 MB of memory in use. ENERGY: 3656600 3909.7362 20600.2039 14508.2780 244.2049 -203065.6568 2294.9593 0.0000 0.0000 51954.4491 -109553.8254 298.5829 -161508.2745 -109177.4059 298.9588 0.0388 23.1127 761627.1535 11.9803 12.0391 PRESSURE: 3656800 -361.592 -16.6752 -245.75 -16.6755 -76.016 -68.8037 -245.75 -68.8033 135.425 GPRESSURE: 3656800 -224.553 -94.9626 -195.533 74.1405 -124.794 -84.5118 -161.978 -46.3577 138.334 PRESSAVG: 3656800 -51.8148 39.5877 -27.2592 39.5876 18.514 -14.0292 -27.2592 -14.0292 11.5489 GPRESSAVG: 3656800 -50.8117 40.1886 -27.5243 37.4771 17.7031 -13.8087 -28.2921 -16.0721 11.5436 TIMING: 3656800 CPU: 11559.7, 0.00315286/step Wall: 11559.7, 0.00315286/step, 1.17637 hours remaining, 239.839844 MB of memory in use. ENERGY: 3656800 3984.3697 20626.8553 14474.7437 251.7116 -203536.5424 2587.2383 0.0000 0.0000 51957.0022 -109654.6216 298.5976 -161611.6238 -109308.2882 298.9373 -100.7276 -70.3379 762650.9814 -7.2507 -7.1883 PRESSURE: 3657000 -67.6693 63.027 -332.428 63.0276 113.765 -180.592 -332.428 -180.593 -60.6206 GPRESSURE: 3657000 -94.6709 45.0285 -200.78 -48.9834 196.596 -140.578 -300.139 -73.9308 -24.3102 PRESSAVG: 3657000 8.46971 8.8465 -36.3559 8.84655 21.3213 -23.4587 -36.3558 -23.4587 11.7027 GPRESSAVG: 3657000 7.29974 6.96616 -38.0034 10.879 21.0601 -24.059 -33.7412 -21.029 13.5253 TIMING: 3657000 CPU: 11560.4, 0.00319495/step Wall: 11560.4, 0.00319495/step, 1.19189 hours remaining, 239.839844 MB of memory in use. ENERGY: 3657000 3919.4206 20551.8422 14480.2483 237.6807 -203830.8286 2799.9026 0.0000 0.0000 51991.1454 -109850.5888 298.7938 -161841.7342 -109487.3067 298.6065 -4.8416 25.8715 761528.8177 13.8312 13.9617 PRESSURE: 3657200 -288.7 105.206 20.4292 105.206 -424.112 -155.217 20.4284 -155.217 -419.348 GPRESSURE: 3657200 -196.044 134.134 20.4207 151.282 -431.686 -235.204 92.113 -158.141 -407.893 PRESSAVG: 3657200 11.5247 23.6666 -3.74914 23.6666 -10.1105 -34.6253 -3.74919 -34.6253 13.4034 GPRESSAVG: 3657200 12.2963 25.9036 -1.38543 22.2606 -9.4322 -37.1273 -5.47016 -35.5125 12.7206 TIMING: 3657200 CPU: 11561, 0.00318955/step Wall: 11561, 0.00318955/step, 1.1897 hours remaining, 239.839844 MB of memory in use. ENERGY: 3657200 4052.5396 20660.9443 14465.3463 256.4685 -203345.3132 2400.0058 0.0000 0.0000 51712.7289 -109797.2798 297.1938 -161510.0087 -109439.6387 298.7433 -377.3864 -345.2079 762253.7164 4.9392 5.1949 PRESSURE: 3657400 -3.69254 -63.9063 -27.7464 -63.9059 71.4686 3.57841 -27.747 3.57789 72.9807 GPRESSURE: 3657400 -32.2925 11.5205 42.2797 -135.028 121.573 -62.6451 -159.464 116.156 135.04 PRESSAVG: 3657400 70.8197 -20.8718 -16.0776 -20.8718 -20.4421 -29.1977 -16.0777 -29.1977 9.55592 GPRESSAVG: 3657400 70.1264 -20.6784 -16.9377 -20.8086 -20.694 -27.0125 -17.7148 -28.6909 10.6158 TIMING: 3657400 CPU: 11561.6, 0.00315602/step Wall: 11561.6, 0.00315602/step, 1.17702 hours remaining, 239.839844 MB of memory in use. ENERGY: 3657400 3985.4679 20671.2470 14356.7705 242.5997 -203804.5537 2621.1137 0.0000 0.0000 52041.6248 -109885.7301 299.0839 -161927.3549 -109527.7367 298.2722 46.9189 74.7732 760347.9145 19.9778 20.0161 PRESSURE: 3657600 -190.206 -22.9741 -11.4182 -22.9732 -346.481 -251.689 -11.4181 -251.69 -478.25 GPRESSURE: 3657600 -129.954 -8.42991 17.3875 47.1312 -368.469 -245.132 -74.2388 -191.843 -449.058 PRESSAVG: 3657600 23.1341 -51.2074 -49.1573 -51.2074 -16.2522 -6.53174 -49.1573 -6.53171 -13.6537 GPRESSAVG: 3657600 23.7135 -51.5147 -49.6741 -50.8023 -15.7634 -6.90774 -46.3852 -6.72767 -14.862 TIMING: 3657600 CPU: 11562.3, 0.00316869/step Wall: 11562.3, 0.00316869/step, 1.18157 hours remaining, 239.839844 MB of memory in use. ENERGY: 3657600 3910.7884 20545.5469 14453.0198 263.0065 -203888.6281 2594.7624 0.0000 0.0000 52076.3915 -110045.1125 299.2837 -162121.5040 -109674.5826 298.1224 -338.3123 -315.8270 760739.8190 -2.2573 -2.3039 PRESSURE: 3657800 -183.662 162.891 51.5894 162.891 -170.434 153.895 51.5889 153.896 -65.5849 GPRESSURE: 3657800 -223.298 91.3476 128.805 15.3116 -123.711 203.988 -3.60955 165.903 -30.2426 PRESSAVG: 3657800 13.039 -35.2003 -88.5988 -35.2003 24.2057 -30.8 -88.5988 -30.7999 2.90868 GPRESSAVG: 3657800 12.1032 -35.7422 -86.8009 -36.2073 25.2187 -31.8908 -89.1548 -30.1256 3.26971 TIMING: 3657800 CPU: 11562.9, 0.00319323/step Wall: 11562.9, 0.00319323/step, 1.19054 hours remaining, 239.839844 MB of memory in use. ENERGY: 3657800 3921.3303 20558.2968 14356.3928 239.8724 -203273.6331 2291.5351 0.0000 0.0000 51933.0610 -109973.1447 298.4600 -161906.2057 -109601.9216 297.9950 -139.8937 -125.7507 760831.3318 13.3844 13.5306 PRESSURE: 3658000 248.703 22.0433 8.19546 22.0426 -244 -19.4809 8.19499 -19.4802 -85.4379 GPRESSURE: 3658000 133.548 -58.0172 -4.69178 85.989 -159.663 -32.3315 25.2094 10.6037 27.6892 PRESSAVG: 3658000 -19.0787 -31.4736 -23.7388 -31.4736 16.5994 -5.35014 -23.7387 -5.35005 -6.09849 GPRESSAVG: 3658000 -17.9814 -30.48 -25.3683 -30.455 15.4619 -3.11637 -24.9414 -6.72637 -6.32713 TIMING: 3658000 CPU: 11563.5, 0.00319384/step Wall: 11563.5, 0.00319385/step, 1.19059 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3658000 3963.2334 20600.2385 14435.6654 254.3326 -203454.3226 2480.5381 0.0000 0.0000 51836.1183 -109884.1963 297.9029 -161720.3146 -109524.3177 297.9962 -26.9118 0.5250 761353.7039 -2.8593 -2.9489 PRESSURE: 3658200 -131.584 11.0123 -104.254 11.0123 -74.4874 -78.2529 -104.254 -78.2542 -191.002 GPRESSURE: 3658200 -62.2189 -48.4772 -100.112 -10.0681 -25.9388 -66.7007 -50.8863 -115.392 -208.262 PRESSAVG: 3658200 -11.6997 -3.96352 19.8398 -3.96352 -2.6651 -32.1646 19.8398 -32.1646 -33.6933 GPRESSAVG: 3658200 -12.0881 -5.44817 19.9174 -3.57664 -3.75232 -34.3469 22.0566 -31.1163 -32.4201 TIMING: 3658200 CPU: 11564.2, 0.00317062/step Wall: 11564.2, 0.00317062/step, 1.18176 hours remaining, 239.839844 MB of memory in use. ENERGY: 3658200 3933.2278 20253.7268 14414.5422 252.0737 -203806.2904 2801.0428 0.0000 0.0000 52223.6598 -109928.0174 300.1301 -162151.6772 -109545.1521 298.4407 -132.3578 -98.8064 762354.8186 -16.0194 -16.0869 PRESSURE: 3658400 133.524 64.0691 -216.318 64.069 -364.972 384.438 -216.317 384.439 -258.017 GPRESSURE: 3658400 208.599 108.866 -183.092 34.1267 -318.681 366.82 -253.61 476.772 -296.609 PRESSAVG: 3658400 78.7268 -1.65084 -28.1456 -1.65089 -43.4235 -20.2237 -28.1456 -20.2237 2.0267 GPRESSAVG: 3658400 78.6677 -1.58547 -29.533 -2.90331 -42.2678 -19.7212 -28.357 -20.3666 0.779477 TIMING: 3658400 CPU: 11564.8, 0.00317195/step Wall: 11564.8, 0.00317195/step, 1.18208 hours remaining, 239.839844 MB of memory in use. ENERGY: 3658400 3962.2298 20593.1107 14393.8681 262.7925 -203952.3130 2863.2271 0.0000 0.0000 51956.1172 -109920.9675 298.5925 -161877.0847 -109548.6160 298.5265 -163.1549 -135.5636 762017.0064 12.4433 12.3931 PRESSURE: 3658600 -162.683 45.5123 25.4542 45.5113 -314.677 -128.12 25.4541 -128.12 223.003 GPRESSURE: 3658600 -91.1438 101.08 2.39872 82.3806 -277.508 -149.131 140.862 -137.047 194.594 PRESSAVG: 3658600 105.274 -17.4955 -58.4366 -17.4956 -56.5143 -9.77009 -58.4366 -9.77014 -1.27322 GPRESSAVG: 3658600 104.969 -17.5514 -56.7665 -15.7788 -56.2786 -9.74256 -59.4427 -9.87454 -1.13087 TIMING: 3658600 CPU: 11565.5, 0.00321977/step Wall: 11565.5, 0.00321977/step, 1.19972 hours remaining, 239.839844 MB of memory in use. ENERGY: 3658600 3969.7686 20425.7876 14418.3831 260.4898 -203538.0519 2474.4024 0.0000 0.0000 52038.5908 -109950.6297 299.0665 -161989.2205 -109588.5053 298.4631 -84.7857 -58.0191 763323.5725 15.8287 15.8532 PRESSURE: 3658800 11.7092 201.379 235.106 201.379 342.587 124.587 235.106 124.587 42.7648 GPRESSURE: 3658800 53.9097 174.697 229.488 146.727 368.072 184.62 169.815 -71.1963 74.6899 PRESSAVG: 3658800 10.9792 -46.094 -52.3437 -46.094 12.8454 -2.31104 -52.3438 -2.31101 13.7958 GPRESSAVG: 3658800 11.7873 -46.077 -52.5618 -47.7029 12.3625 0.928281 -54.4255 -4.62151 13.8814 TIMING: 3658800 CPU: 11566.1, 0.00316783/step Wall: 11566.1, 0.00316783/step, 1.18019 hours remaining, 239.839844 MB of memory in use. ENERGY: 3658800 4016.6308 20474.5698 14380.2077 246.6070 -203732.1458 3000.3260 0.0000 0.0000 52049.4306 -109564.3739 299.1288 -161613.8045 -109208.2016 298.4971 132.3538 165.5572 763224.0649 12.5401 12.6771 PRESSURE: 3659000 300.268 112.084 -251.028 112.084 -294.996 -19.39 -251.029 -19.3898 47.3391 GPRESSURE: 3659000 318.737 70.612 -201.946 10.8638 -273.11 -59.1703 -286.292 -57.2121 88.985 PRESSAVG: 3659000 60.3793 23.2896 -36.1368 23.2896 -66.5209 -18.2128 -36.1367 -18.2127 -23.2528 GPRESSAVG: 3659000 60.6903 23.9637 -35.4607 24.0905 -67.1717 -21.0073 -36.1579 -16.1469 -23.5719 TIMING: 3659000 CPU: 11566.7, 0.00316317/step Wall: 11566.7, 0.00316317/step, 1.17828 hours remaining, 239.839844 MB of memory in use. ENERGY: 3659000 4005.1579 20655.5354 14448.0316 253.7681 -203807.1537 2919.9742 0.0000 0.0000 51821.9734 -109702.7131 297.8216 -161524.6865 -109351.0151 298.9010 17.5369 44.8704 763119.3011 -9.7981 -10.0178 PRESSURE: 3659200 -62.6727 47.2236 155.267 47.2239 -175.022 -77.4562 155.267 -77.4558 -256.343 GPRESSURE: 3659200 -164.182 94.6861 133.488 -104.777 -79.9729 -25.0229 197.768 -77.1493 -172.884 PRESSAVG: 3659200 19.085 0.666477 -65.5027 0.666461 -41.025 12.2851 -65.5027 12.2851 -0.761919 GPRESSAVG: 3659200 17.8583 -1.16933 -65.7562 0.267696 -40.6871 13.84 -65.1268 12.4467 -0.251148 TIMING: 3659200 CPU: 11567.3, 0.00314656/step Wall: 11567.3, 0.00314656/step, 1.17192 hours remaining, 239.839844 MB of memory in use. ENERGY: 3659200 3988.4116 20528.1273 14434.5754 225.8568 -203481.3542 2612.6860 0.0000 0.0000 52173.5122 -109518.1849 299.8419 -161691.6971 -109166.7981 298.9696 -164.6791 -139.0129 761965.7137 -7.5673 -7.6933 PRESSURE: 3659400 -35.0105 -124.888 144.44 -124.887 67.5503 174.602 144.439 174.602 -187.707 GPRESSURE: 3659400 86.0161 -103.74 200.372 -168.211 103.417 111.915 124.721 100.143 -234.823 PRESSAVG: 3659400 54.4314 -88.7652 22.7385 -88.7652 -52.9427 14.6242 22.7385 14.6242 10.6182 GPRESSAVG: 3659400 55.5887 -86.3878 21.5257 -87.9531 -52.4083 14.2142 24.5929 13.8488 10.093 TIMING: 3659400 CPU: 11568, 0.00316775/step Wall: 11568, 0.00316775/step, 1.17964 hours remaining, 239.839844 MB of memory in use. ENERGY: 3659400 3916.2050 20512.9685 14408.0675 259.7314 -203661.6478 3019.9146 0.0000 0.0000 52081.1457 -109463.6151 299.3111 -161544.7608 -109105.5532 299.3812 -51.7225 -15.1299 760826.7874 4.0356 4.4245 PRESSURE: 3659600 323.137 21.6814 -115.778 21.6815 -1.86406 33.2058 -115.778 33.2063 405.727 GPRESSURE: 3659600 313.687 39.77 -28.9362 83.943 73.1412 20.6644 -24.7144 67.5838 417.734 PRESSAVG: 3659600 67.9132 -14.7397 -54.2073 -14.7397 -47.2104 26.076 -54.2073 26.076 -4.0223 GPRESSAVG: 3659600 67.2043 -13.8166 -54.241 -14.8245 -47.1249 26.847 -53.842 26.6659 -3.62128 TIMING: 3659600 CPU: 11568.6, 0.00314109/step Wall: 11568.6, 0.00314109/step, 1.16953 hours remaining, 239.839844 MB of memory in use. ENERGY: 3659600 3978.9305 20715.7060 14397.3939 237.9137 -203488.8880 2863.5050 0.0000 0.0000 51943.4153 -109352.0236 298.5195 -161295.4389 -108993.4157 299.2978 242.3334 268.1874 761911.3548 5.5602 5.4860 PRESSURE: 3659800 111.96 43.2432 19.1008 43.2435 -44.6083 -155.711 19.1013 -155.71 507.663 GPRESSURE: 3659800 63.4257 118.745 -50.9104 -28.103 102.75 -68.4275 -58.7476 -201.788 486.347 PRESSAVG: 3659800 28.8965 -23.5585 -54.423 -23.5585 -29.6997 -7.98392 -54.4229 -7.98385 7.70599 GPRESSAVG: 3659800 27.5423 -25.6785 -52.8705 -24.9262 -27.5938 -9.92902 -55.0177 -6.43958 6.7778 TIMING: 3659800 CPU: 11569.2, 0.00316523/step Wall: 11569.2, 0.00316523/step, 1.17834 hours remaining, 239.839844 MB of memory in use. ENERGY: 3659800 3991.8560 20651.6044 14574.8397 266.4196 -203603.7697 2758.2056 0.0000 0.0000 51974.4177 -109386.4268 298.6977 -161360.8444 -109016.6115 299.4367 191.6713 217.5075 760029.4977 2.3009 2.2421 PRESSURE: 3660000 -135.626 -99.2512 -134.212 -99.2524 -184.587 21.1058 -134.212 21.1055 -157.128 GPRESSURE: 3660000 -17.2086 -102.804 -83.2796 -83.2904 -138.674 -35.1378 10.4533 61.3817 -234.346 PRESSAVG: 3660000 17.279 -43.6228 -8.66552 -43.6228 26.1749 19.1312 -8.66549 19.1311 6.30716 GPRESSAVG: 3660000 18.0038 -44.3035 -9.70985 -40.809 24.3416 20.3485 -7.02761 17.2574 7.55298 TIMING: 3660000 CPU: 11569.9, 0.00315223/step Wall: 11569.9, 0.00315223/step, 1.17333 hours remaining, 239.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3660000 3979.5993 20703.6243 14395.5212 240.7640 -203557.1044 2796.4735 0.0000 0.0000 52178.2647 -109262.8574 299.8692 -161441.1221 -108908.1058 299.5547 -159.1138 -130.0764 760596.1939 16.5870 16.6328 PRESSURE: 3660200 -117.609 -126.697 22.3697 -126.696 376.903 67.4327 22.3706 67.4324 152.469 GPRESSURE: 3660200 -50.4523 -85.1864 76.4946 -227.217 392.601 170.354 42.4978 95.3769 172.522 PRESSAVG: 3660200 -9.15069 -58.6063 -7.03577 -58.6062 32.6544 38.2686 -7.0358 38.2686 4.51696 GPRESSAVG: 3660200 -7.48599 -59.3768 -5.86512 -60.3985 32.3953 36.8004 -9.0435 38.8265 3.45957 TIMING: 3660200 CPU: 11570.5, 0.00316539/step Wall: 11570.5, 0.00316539/step, 1.17805 hours remaining, 239.839844 MB of memory in use. ENERGY: 3660200 4014.0920 20614.7297 14428.2083 256.1895 -203315.7510 2599.2923 0.0000 0.0000 52072.5383 -109330.7008 299.2616 -161403.2392 -108962.1351 299.8786 137.2542 171.5571 760790.4549 9.3402 9.4563 LDB: ============= START OF LOAD BALANCING ============== 11582.9 LDB: ============== END OF LOAD BALANCING =============== 11582.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11582.9 LDB: ============= START OF LOAD BALANCING ============== 11583.2 LDB: Largest compute 7026 load 0.031776 is 16.2% of average load 0.195965 LDB: Average compute 0.004411 is 2.3% of average load 0.195965 LDB: TIME 11583.2 LOAD: AVG 0.195965 MAX 0.217632 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 11583.2 LOAD: AVG 0.195965 MAX 0.217632 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 11583.2 LOAD: AVG 0.195965 MAX 0.217632 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 11583.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11583.2 PRESSURE: 3660400 201.251 151.864 -99.4514 151.865 -92.2074 -33.4171 -99.4519 -33.417 -46.306 GPRESSURE: 3660400 162.104 108.527 -47.7216 119.277 -13.1978 20.0098 -65.433 7.54219 -3.99513 PRESSAVG: 3660400 -3.02918 -46.5292 32.9444 -46.5293 24.8353 48.828 32.9444 48.8281 -0.598051 GPRESSAVG: 3660400 -3.83284 -45.7542 31.6463 -48.9649 24.6092 50.3177 34.3252 46.059 -0.0697719 TIMING: 3660400 CPU: 11571.2, 0.00322912/step Wall: 11571.2, 0.00322912/step, 1.20159 hours remaining, 238.925781 MB of memory in use. ENERGY: 3660400 4005.2800 20554.4383 14502.7683 246.5450 -203280.0650 2519.9451 0.0000 0.0000 52107.4257 -109343.6626 299.4621 -161451.0883 -108970.5059 299.6133 20.9125 48.3038 761793.0547 7.0694 6.9022 PRESSURE: 3660600 176.864 -212.377 -428.346 -212.377 140.624 -105.634 -428.346 -105.633 240.584 GPRESSURE: 3660600 236.206 -179.691 -484.361 -156.974 216.591 -104.937 -354.84 -117.537 186.254 PRESSAVG: 3660600 -45.3875 -29.7772 -10.1045 -29.7772 42.5336 -1.93901 -10.1045 -1.93896 4.81084 GPRESSAVG: 3660600 -46.5313 -30.823 -10.7776 -27.0271 43.1489 -1.44834 -9.83589 0.287372 4.73201 TIMING: 3660600 CPU: 11571.8, 0.00315986/step Wall: 11571.8, 0.00315986/step, 1.17564 hours remaining, 239.070312 MB of memory in use. ENERGY: 3660600 3950.8848 20532.6283 14414.9670 242.9240 -203611.6424 2784.8658 0.0000 0.0000 52246.5463 -109438.8262 300.2616 -161685.3725 -109077.7755 299.2433 186.0239 213.0172 762747.8279 0.6523 0.4499 PRESSURE: 3660800 -97.4398 197.024 26.7197 197.025 -177.76 140.036 26.7206 140.036 29.3408 GPRESSURE: 3660800 -88.9606 241.84 -4.00841 170.44 -144.985 136.761 46.4699 203.668 62.327 PRESSAVG: 3660800 -22.4014 40.8647 -27.4255 40.8647 24.7348 3.90584 -27.4256 3.90586 -25.5242 GPRESSAVG: 3660800 -20.2036 41.9919 -26.5703 41.3344 22.6466 4.37902 -28.0913 2.1636 -24.9595 TIMING: 3660800 CPU: 11572.4, 0.00314594/step Wall: 11572.4, 0.00314594/step, 1.17029 hours remaining, 239.070312 MB of memory in use. ENERGY: 3660800 3957.3130 20604.9699 14410.5224 251.6499 -203504.8854 2742.3794 0.0000 0.0000 52093.7608 -109444.2901 299.3836 -161538.0509 -109085.4587 299.1046 -81.9532 -57.2062 761970.3491 -7.7302 -7.5055 PRESSURE: 3661000 -287.806 78.3652 125.863 78.3649 -0.226506 -90.5878 125.863 -90.5883 96.3757 GPRESSURE: 3661000 -205.404 79.7969 154.122 -22.6174 38.5408 0.778749 150.064 -75.5581 62.8744 PRESSAVG: 3661000 -41.4991 -2.07133 18.65 -2.07129 54.4729 -22.6645 18.65 -22.6645 15.8144 GPRESSAVG: 3661000 -42.0057 -2.53917 18.2367 -4.12271 55.0332 -22.675 18.5025 -19.461 16.2676 TIMING: 3661000 CPU: 11573, 0.00314546/step Wall: 11573, 0.00314546/step, 1.16994 hours remaining, 239.070312 MB of memory in use. ENERGY: 3661000 3983.5654 20616.8111 14415.1165 233.5030 -203673.9583 2772.2656 0.0000 0.0000 52041.0328 -109611.6640 299.0805 -161652.6968 -109251.1860 299.0752 -63.8856 -34.6630 762590.7583 9.5961 9.7650 PRESSURE: 3661200 -192.317 -48.8646 249.283 -48.8656 -50.6367 -164.718 249.283 -164.718 172.346 GPRESSURE: 3661200 -209.722 35.3987 249.963 -93.5223 36.0847 -181.073 281.54 -11.1427 186.625 PRESSAVG: 3661200 -47.8753 22.3153 -20.8145 22.3153 30.719 6.4572 -20.8145 6.45711 2.52815 GPRESSAVG: 3661200 -48.4566 24.0328 -19.938 20.5413 31.7934 4.16824 -19.9625 5.67943 1.60224 TIMING: 3661200 CPU: 11573.7, 0.00313421/step Wall: 11573.7, 0.00313421/step, 1.16558 hours remaining, 239.070312 MB of memory in use. ENERGY: 3661200 4017.3228 20588.2131 14409.4780 248.6822 -203408.6516 2706.7923 0.0000 0.0000 52027.9381 -109410.2252 299.0053 -161438.1633 -109062.2325 298.8587 -23.5361 4.3295 763159.5185 -4.8761 -5.0203 PRESSURE: 3661400 -74.5332 -28.6957 -208.721 -28.6951 -278.707 -3.23905 -208.72 -3.2392 -246.734 GPRESSURE: 3661400 -29.4695 8.34044 -165.693 -113.528 -238.526 7.61202 -118.053 -139.888 -267.559 PRESSAVG: 3661400 -25.4823 -4.19631 -43.1946 -4.19632 52.1259 0.0239264 -43.1946 0.0239519 -11.8056 GPRESSAVG: 3661400 -26.5057 -4.85847 -42.1194 -2.92418 52.905 0.875803 -43.8943 -0.560592 -12.1797 TIMING: 3661400 CPU: 11574.3, 0.00313844/step Wall: 11574.3, 0.00313844/step, 1.16698 hours remaining, 239.070312 MB of memory in use. ENERGY: 3661400 4011.4797 20488.0492 14472.5213 264.0762 -202851.1705 2010.8450 0.0000 0.0000 52194.8248 -109409.3743 299.9644 -161604.1991 -109045.7340 299.2325 -199.9913 -178.5183 762527.2934 4.9460 4.7399 PRESSURE: 3661600 151.866 116.403 -112.237 116.402 -153.621 -379.984 -112.237 -379.985 -70.8374 GPRESSURE: 3661600 158.786 144.131 -190.673 95.9999 -141.605 -389.494 -172.068 -238.814 20.7328 PRESSAVG: 3661600 -17.9357 18.9416 -2.02688 18.9416 27.6197 -16.11 -2.02688 -16.1101 1.6187 GPRESSAVG: 3661600 -16.6779 19.5441 -3.2248 19.1703 25.7162 -15.9235 -3.62751 -17.3386 2.55718 TIMING: 3661600 CPU: 11574.9, 0.00315284/step Wall: 11574.9, 0.00315284/step, 1.17216 hours remaining, 239.070312 MB of memory in use. ENERGY: 3661600 3998.6735 20622.4226 14404.0709 257.0760 -203348.9508 2649.8945 0.0000 0.0000 52136.2922 -109280.5211 299.6280 -161416.8133 -108916.7985 299.3813 -24.1977 12.6380 762151.1720 3.7676 3.8652 PRESSURE: 3661800 -56.5894 -37.4317 -95.7693 -37.4318 -264.451 66.2126 -95.769 66.2133 -153.542 GPRESSURE: 3661800 -44.8679 -30.2528 -84.8171 -94.2412 -156.042 93.5834 -275.849 29.6244 -201.806 PRESSAVG: 3661800 36.7285 -30.3598 -41.7182 -30.3597 31.4943 0.375295 -41.7182 0.375342 -32.4241 GPRESSAVG: 3661800 37.7509 -31.4294 -41.8125 -29.5932 31.4275 1.35417 -42.2806 -0.705664 -32.67 TIMING: 3661800 CPU: 11575.6, 0.00313272/step Wall: 11575.6, 0.00313272/step, 1.1645 hours remaining, 239.070312 MB of memory in use. ENERGY: 3661800 4030.8248 20548.2154 14438.9266 241.8601 -203184.7340 2458.6440 0.0000 0.0000 52184.0569 -109282.2061 299.9025 -161466.2630 -108915.6031 299.9022 -158.1940 -134.2387 761828.7947 11.9329 12.1695 PRESSURE: 3662000 -11.5538 -7.50177 -60.9054 -7.50228 128.446 -55.1407 -60.9051 -55.1403 -11.9529 GPRESSURE: 3662000 11.682 -3.07543 -82.7873 -24.2975 173.124 -86.669 -39.0892 -72.8313 -18.7716 PRESSAVG: 3662000 29.4442 4.0622 17.6921 4.06214 -23.5594 -2.06117 17.6922 -2.06113 30.7461 GPRESSAVG: 3662000 28.605 3.79933 18.0513 5.73266 -22.166 -1.1765 16.7501 -2.3634 29.7294 TIMING: 3662000 CPU: 11576.2, 0.00313019/step Wall: 11576.2, 0.00313019/step, 1.16339 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3662000 4048.4309 20597.1441 14379.9483 257.5500 -203830.5432 3004.8117 0.0000 0.0000 52119.6802 -109422.9780 299.5325 -161542.6583 -109067.2180 299.4470 34.9799 55.3449 762631.0741 12.2103 12.0561 PRESSURE: 3662200 -261.068 48.8586 7.44418 48.8582 -104.939 57.5391 7.4447 57.5389 -295.954 GPRESSURE: 3662200 -279.268 -80.2948 -2.34281 -10.7676 -96.6668 -62.1129 83.4788 -28.5423 -205.297 PRESSAVG: 3662200 5.12003 -0.0242991 -26.6482 -0.0243197 -22.7363 -35.6397 -26.6482 -35.6396 -3.63336 GPRESSAVG: 3662200 4.90404 1.09951 -27.0745 0.135071 -24.388 -39.9137 -23.1265 -33.5421 -1.64724 TIMING: 3662200 CPU: 11576.8, 0.00311539/step Wall: 11576.8, 0.00311539/step, 1.15771 hours remaining, 239.070312 MB of memory in use. ENERGY: 3662200 4033.2931 20544.6251 14394.0189 227.3806 -203460.9242 2772.9852 0.0000 0.0000 51825.9451 -109662.6762 297.8444 -161488.6213 -109289.2242 298.8723 -220.6538 -193.7437 763873.2563 -7.0832 -7.0437 PRESSURE: 3662400 -81.8972 -108.285 68.5042 -108.285 257.142 61.7212 68.5041 61.719 22.478 GPRESSURE: 3662400 -11.5844 12.2165 21.4056 -115.292 278.187 7.08393 19.5445 194.939 -5.89627 PRESSAVG: 3662400 -7.03847 -25.4717 -8.01849 -25.4717 48.3521 31.3678 -8.01852 31.3677 22.555 GPRESSAVG: 3662400 -7.35628 -24.7871 -8.33246 -26.4822 50.3638 34.3769 -8.73462 31.17 20.6054 TIMING: 3662400 CPU: 11577.4, 0.0031642/step Wall: 11577.4, 0.0031642/step, 1.17568 hours remaining, 239.070312 MB of memory in use. ENERGY: 3662400 3940.5116 20556.1675 14378.9007 250.0199 -203250.8142 2491.8541 0.0000 0.0000 52001.0313 -109632.3291 298.8506 -161633.3604 -109271.5580 299.0499 65.9077 86.9020 760485.5938 21.2895 21.2043 PRESSURE: 3662600 -92.6363 -23.5844 7.19135 -23.5838 -18.0411 88.5647 7.19098 88.5643 266.02 GPRESSURE: 3662600 -79.4525 -137.299 -2.90604 -48.2156 10.0503 43.2373 -32.4459 94.6027 333.635 PRESSAVG: 3662600 -3.44873 7.17642 -14.3673 7.17643 36.5637 60.9857 -14.3672 60.9857 -15.2127 GPRESSAVG: 3662600 -1.18089 6.81111 -12.9629 6.79769 34.7617 61.0335 -15.1448 60.2687 -14.6401 TIMING: 3662600 CPU: 11578.1, 0.00316427/step Wall: 11578.1, 0.00316427/step, 1.17553 hours remaining, 239.070312 MB of memory in use. ENERGY: 3662600 3964.4345 20547.2816 14426.5742 257.5084 -203419.1213 2613.0744 0.0000 0.0000 52073.8919 -109536.3564 299.2694 -161610.2482 -109180.1882 299.3141 51.7807 88.0776 761740.4941 5.9674 6.3135 PRESSURE: 3662800 -107.887 -16.1906 -218.651 -16.1897 -66.8852 -318.985 -218.652 -318.986 -171.937 GPRESSURE: 3662800 -98.3374 34.51 -243.256 -34.532 15.2066 -318.476 -183.147 -203.483 -175.59 PRESSAVG: 3662800 37.3484 -12.2328 2.10784 -12.2327 -28.9105 12.2707 2.10785 12.2708 -4.80816 GPRESSAVG: 3662800 34.872 -13.2979 0.553787 -12.4392 -26.641 11.1594 1.32725 15.8486 -4.95237 TIMING: 3662800 CPU: 11578.7, 0.00315863/step Wall: 11578.7, 0.00315863/step, 1.17325 hours remaining, 239.070312 MB of memory in use. ENERGY: 3662800 3965.9084 20524.7335 14448.7367 268.4144 -203782.7190 2836.1187 0.0000 0.0000 52155.1882 -109583.6192 299.7366 -161738.8074 -109221.9223 299.5093 -115.5698 -86.2404 761036.9647 1.2099 1.0929 PRESSURE: 3663000 -50.2427 -119.021 -53.6835 -119.021 267.25 -125.872 -53.6843 -125.872 615.699 GPRESSURE: 3663000 185.283 -15.0945 -163.666 -202.167 188.272 10.5032 -249.343 -117.198 569.603 PRESSAVG: 3663000 33.2997 17.3281 13.24 17.328 8.24927 -19.2229 13.24 -19.2229 6.62678 GPRESSAVG: 3663000 35.0942 17.4281 14.1261 17.2054 7.04574 -16.9505 12.9557 -21.7103 6.62906 TIMING: 3663000 CPU: 11579.3, 0.00313514/step Wall: 11579.3, 0.00313514/step, 1.16436 hours remaining, 239.070312 MB of memory in use. ENERGY: 3663000 3995.5032 20335.9815 14425.8073 240.7525 -203590.8366 2966.2042 0.0000 0.0000 52099.6905 -109526.8974 299.4176 -161626.5879 -109165.0424 299.4383 277.5687 314.3862 760906.9173 16.0586 16.2563 PRESSURE: 3663200 264.433 132.138 -33.4526 132.138 193.385 54.0314 -33.4521 54.0308 185.721 GPRESSURE: 3663200 188.827 22.4729 -64.1909 195.895 323.41 -86.1043 -22.3618 53.1879 210.401 PRESSAVG: 3663200 -8.61142 -11.9454 -20.9835 -11.9454 21.5158 -12.9299 -20.9834 -12.9298 5.75661 GPRESSAVG: 3663200 -9.7098 -11.5486 -23.3488 -9.44256 21.9173 -14.877 -18.9681 -13.7948 6.46929 TIMING: 3663200 CPU: 11580, 0.00313807/step Wall: 11580, 0.00313807/step, 1.16527 hours remaining, 239.070312 MB of memory in use. ENERGY: 3663200 3905.1329 20600.4311 14403.2318 240.8958 -203685.1395 2778.8280 0.0000 0.0000 52045.1705 -109711.4493 299.1043 -161756.6199 -109348.7104 299.1696 214.5130 240.8793 759442.4399 6.2203 6.2256 PRESSURE: 3663400 -418.68 34.5984 -127.351 34.5987 -133.815 -6.92023 -127.351 -6.91978 370.086 GPRESSURE: 3663400 -269.566 -65.0216 -189.584 -15.2489 -169.395 -88.3348 38.3438 -120.663 341.186 PRESSAVG: 3663400 13.1288 28.2131 22.2337 28.213 -41.1511 -7.7409 22.2338 -7.74096 -3.48084 GPRESSAVG: 3663400 14.3659 26.8361 23.2071 26.8029 -39.6726 -6.25497 21.7842 -5.84721 -5.67065 TIMING: 3663400 CPU: 11580.6, 0.00316056/step Wall: 11580.6, 0.00316056/step, 1.17345 hours remaining, 239.070312 MB of memory in use. ENERGY: 3663400 4001.5615 20462.2863 14491.1945 247.5625 -203454.9893 2542.2799 0.0000 0.0000 51989.2442 -109720.8604 298.7829 -161710.1047 -109351.5447 298.7935 -60.8030 -32.5913 761329.0986 -10.5010 -10.3258 PRESSURE: 3663600 -90.0788 -20.82 40.6844 -20.8199 44.8972 -35.2665 40.6839 -35.2671 333.415 GPRESSURE: 3663600 -86.5821 26.9829 34.2264 28.0137 65.9738 -79.9151 12.2062 135.991 369.587 PRESSAVG: 3663600 31.3634 -37.1114 -7.43696 -37.1114 -61.55 -37.7253 -7.43699 -37.7252 0.339267 GPRESSAVG: 3663600 31.255 -36.6707 -7.5222 -35.0388 -63.1806 -38.4574 -9.81363 -38.2978 1.43597 TIMING: 3663600 CPU: 11581.2, 0.00314616/step Wall: 11581.2, 0.00314616/step, 1.16792 hours remaining, 239.070312 MB of memory in use. ENERGY: 3663600 3915.2645 20481.9402 14405.3138 262.2936 -203252.5495 2283.1070 0.0000 0.0000 51955.1529 -109949.4774 298.5870 -161904.6303 -109581.8489 298.1459 96.0779 116.3262 760390.5133 -9.9491 -10.1632 PRESSURE: 3663800 -58.8923 -48.8362 -13.1438 -48.8357 -306.901 55.44 -13.144 55.4393 105.94 GPRESSURE: 3663800 13.1582 15.3515 31.6354 -131.884 -283.351 90.4724 -41.0081 64.7443 107.839 PRESSAVG: 3663800 5.22619 -58.0611 41.1188 -58.0611 -14.9945 12.5746 41.1188 12.5746 11.1843 GPRESSAVG: 3663800 4.81744 -59.058 40.8174 -59.8579 -15.1531 13.8015 43.8753 14.5362 12.3403 TIMING: 3663800 CPU: 11581.8, 0.00314844/step Wall: 11581.8, 0.00314844/step, 1.16859 hours remaining, 239.070312 MB of memory in use. ENERGY: 3663800 4028.0946 20497.2163 14410.8779 238.8840 -203328.9013 2365.2145 0.0000 0.0000 51838.2751 -109950.3390 297.9153 -161788.6141 -109579.6236 298.3133 -86.6176 -54.1178 761517.1529 0.4720 0.6682 PRESSURE: 3664000 -73.7939 90.77 -14.7597 90.7701 -93.123 3.67724 -14.7602 3.67652 -449.416 GPRESSURE: 3664000 -60.8255 45.7966 -41.1764 -7.4726 -52.6755 -82.5344 70.9721 4.34689 -415.196 PRESSAVG: 3664000 10.2293 18.9021 45.6151 18.9021 -34.2629 9.75193 45.615 9.75185 17.4704 GPRESSAVG: 3664000 9.73893 18.2578 47.1953 19.9028 -33.7398 9.8607 45.6044 10.2211 17.105 TIMING: 3664000 CPU: 11582.5, 0.00315708/step Wall: 11582.5, 0.00315708/step, 1.17163 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3664000 3978.2717 20345.7240 14354.2615 247.2444 -203801.4151 2673.5142 0.0000 0.0000 52216.2030 -109986.1964 300.0872 -162202.3994 -109620.9673 297.8214 -205.4444 -176.2323 760719.2366 -2.1877 -2.2986 PRESSURE: 3664200 113.925 227.71 247.493 227.71 415.151 97.9621 247.493 97.961 -238.253 GPRESSURE: 3664200 139.712 260.25 226.824 231.327 451.988 64.8032 145.932 49.9716 -200.553 PRESSAVG: 3664200 11.459 -36.2497 34.9828 -36.2497 -21.3792 -7.49199 34.9828 -7.49195 -10.2582 GPRESSAVG: 3664200 11.2383 -34.6048 33.9598 -36.8795 -21.3957 -9.05931 35.8895 -10.104 -9.892 TIMING: 3664200 CPU: 11583.1, 0.00317111/step Wall: 11583.1, 0.00317111/step, 1.17666 hours remaining, 239.070312 MB of memory in use. ENERGY: 3664200 4033.6601 20608.3917 14387.4732 236.5934 -203922.0931 2681.6365 0.0000 0.0000 52044.4101 -109929.9280 299.0999 -161974.3381 -109568.1033 298.2527 96.9412 130.3822 758960.6743 -6.7261 -6.6831 LDB: ============= START OF LOAD BALANCING ============== 11595.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11595.5 LDB: =============== DONE WITH MIGRATION ================ 11595.5 LDB: ============= START OF LOAD BALANCING ============== 11595.8 LDB: Largest compute 7034 load 0.030748 is 15.7% of average load 0.196065 LDB: Average compute 0.004376 is 2.2% of average load 0.196065 LDB: TIME 11595.8 LOAD: AVG 0.196065 MAX 0.219748 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 11595.8 LOAD: AVG 0.196065 MAX 0.219748 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 11595.8 LOAD: AVG 0.196065 MAX 0.219748 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 11595.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11595.8 PRESSURE: 3664400 -156.837 -150.118 -5.4993 -150.117 21.5651 75.415 -5.49933 75.4149 279.051 GPRESSURE: 3664400 -40.8856 -158.829 20.7472 -179.612 -71.4726 40.3957 31.3612 273.032 347.346 PRESSAVG: 3664400 -30.7253 -17.3278 -24.0796 -17.3277 7.09797 -11.6341 -24.0796 -11.6341 1.28438 GPRESSAVG: 3664400 -29.9286 -16.8321 -24.4275 -16.8187 6.152 -12.1612 -25.2353 -9.64121 1.18038 TIMING: 3664400 CPU: 11583.8, 0.0032354/step Wall: 11583.8, 0.0032354/step, 1.20033 hours remaining, 237.843750 MB of memory in use. ENERGY: 3664400 3970.1652 20476.8353 14351.0164 251.9847 -203485.2163 2476.9644 0.0000 0.0000 52036.3298 -109921.9205 299.0535 -161958.2503 -109544.4812 298.6254 47.9267 78.3294 760656.4194 -7.4477 -7.5321 PRESSURE: 3664600 119.759 -148.665 100.751 -148.665 -229.274 -93.3494 100.752 -93.35 -43.2165 GPRESSURE: 3664600 115.576 -96.7612 101.215 21.1654 -147.254 -89.3443 -12.5091 -117.23 -33.3367 PRESSAVG: 3664600 -21.8007 17.2061 34.0004 17.2061 27.3451 -5.78193 34.0003 -5.78191 -11.8548 GPRESSAVG: 3664600 -22.2782 18.6151 34.3498 16.5939 27.0329 -5.57359 31.5524 -7.29335 -12.3008 TIMING: 3664600 CPU: 11584.4, 0.00314954/step Wall: 11584.4, 0.00314954/step, 1.1683 hours remaining, 238.046875 MB of memory in use. ENERGY: 3664600 3942.1880 20640.2209 14383.7661 247.2501 -203248.2321 2459.5581 0.0000 0.0000 51697.8713 -109877.3778 297.1084 -161575.2490 -109528.5248 298.0499 -50.9105 -21.6716 760463.5870 -2.1035 -2.5154 PRESSURE: 3664800 406.754 36.2588 243.884 36.2588 -140.165 48.3873 243.884 48.3879 -133.048 GPRESSURE: 3664800 419.378 112.392 386.292 -61.6355 -87.0745 108.156 256.324 -61.9766 -115.288 PRESSAVG: 3664800 5.31792 9.54934 57.339 9.5494 28.3769 -22.6987 57.339 -22.6987 -13.8048 GPRESSAVG: 3664800 4.95443 6.1872 56.4879 9.82397 29.2384 -21.6495 60.4964 -22.0666 -14.035 TIMING: 3664800 CPU: 11585, 0.00316362/step Wall: 11585, 0.00316362/step, 1.17335 hours remaining, 238.046875 MB of memory in use. ENERGY: 3664800 4039.3134 20494.4820 14318.6684 228.7644 -203753.7272 2704.9642 0.0000 0.0000 52196.5055 -109771.0294 299.9740 -161967.5349 -109401.6143 298.8043 44.5135 72.3384 760021.2718 6.6300 6.7193 PRESSURE: 3665000 -225.224 307.033 135.032 307.033 -158.735 -69.7474 135.033 -69.7461 236.075 GPRESSURE: 3665000 -79.7777 97.5459 116.719 301.661 -193.97 -48.8686 208.742 -75.2404 207.316 PRESSAVG: 3665000 26.0814 37.2135 26.3442 37.2135 -31.9336 -6.71913 26.3442 -6.71912 7.45857 GPRESSAVG: 3665000 27.7641 36.7479 26.4946 37.7415 -33.246 -6.30195 27.1909 -8.1801 6.8819 TIMING: 3665000 CPU: 11585.7, 0.00316657/step Wall: 11585.7, 0.00316657/step, 1.17427 hours remaining, 238.046875 MB of memory in use. ENERGY: 3665000 3953.8549 20582.0145 14454.9617 248.1534 -203284.5424 2428.8012 0.0000 0.0000 52011.8042 -109604.9525 298.9126 -161616.7567 -109243.1715 299.4324 -49.2949 -22.1438 761184.5536 0.5355 0.4667 PRESSURE: 3665200 -126.605 44.2217 52.722 44.2224 216.387 -6.49185 52.7219 -6.49161 165.676 GPRESSURE: 3665200 -145.619 54.315 26.79 -69.3324 233.789 102.123 36.5932 13.9318 250.258 PRESSAVG: 3665200 -18.5079 8.24903 -10.6125 8.24899 3.88495 -10.8062 -10.6126 -10.8062 9.61311 GPRESSAVG: 3665200 -19.4285 10.9188 -9.86091 6.14384 3.3395 -10.7019 -12.5688 -11.0796 10.4452 TIMING: 3665200 CPU: 11586.3, 0.00316756/step Wall: 11586.3, 0.00316756/step, 1.17446 hours remaining, 238.046875 MB of memory in use. ENERGY: 3665200 4009.2440 20588.1899 14403.0023 225.1560 -203626.3765 2496.6297 0.0000 0.0000 52248.1721 -109655.9823 300.2710 -161904.1544 -109287.2067 299.4817 85.1524 112.8095 760023.5149 -1.6699 -1.8812 PRESSURE: 3665400 5.02477 -148.66 -7.43103 -148.66 312.282 -162.368 -7.43106 -162.367 -44.7466 GPRESSURE: 3665400 134.81 -103.255 64.9936 -125.549 227.474 -90.8665 48.1507 -138.368 -1.11358 PRESSAVG: 3665400 -0.276336 38.9511 -1.5346 38.9511 -34.187 11.9882 -1.53466 11.9882 -2.75428 GPRESSAVG: 3665400 0.310045 38.7228 -0.652626 38.7432 -33.203 12.148 -0.547595 13.0852 -3.29856 TIMING: 3665400 CPU: 11586.9, 0.00314817/step Wall: 11586.9, 0.00314817/step, 1.16709 hours remaining, 238.046875 MB of memory in use. ENERGY: 3665400 4046.1233 20564.7096 14343.2866 242.2842 -203260.0338 2487.9599 0.0000 0.0000 52338.5549 -109237.1154 300.7904 -161575.6702 -108864.8482 299.4959 90.8535 120.3902 759174.5845 -12.4059 -12.0638 PRESSURE: 3665600 -77.915 99.8035 -198.583 99.804 75.1709 -13.6204 -198.585 -13.6204 -340.022 GPRESSURE: 3665600 -55.8623 115.81 -202.072 53.8795 113.708 -0.563597 -114.044 37.6586 -316.791 PRESSAVG: 3665600 -44.5442 -43.016 -32.5937 -43.0161 70.6214 -68.0147 -32.5937 -68.0147 9.78377 GPRESSAVG: 3665600 -44.9392 -43.7692 -35.6483 -42.8449 70.8722 -68.3363 -32.3607 -69.8189 10.4919 TIMING: 3665600 CPU: 11587.5, 0.00312087/step Wall: 11587.5, 0.00312087/step, 1.1568 hours remaining, 238.046875 MB of memory in use. ENERGY: 3665600 4023.6991 20615.8042 14341.7412 239.8330 -203253.1898 2629.0250 0.0000 0.0000 52165.3991 -109237.6882 299.7953 -161403.0873 -108882.3084 300.4484 -114.2554 -86.3151 760488.3336 11.9537 12.1416 PRESSURE: 3665800 -142.45 -30.4753 9.50408 -30.4751 -161.392 110.591 9.50341 110.59 -187.256 GPRESSURE: 3665800 -94.6622 -58.5479 23.4571 59.889 -116.005 84.7903 -23.3243 222.675 -202.068 PRESSAVG: 3665800 -36.3059 -19.2031 -40.7771 -19.203 47.1704 -35.0181 -40.7771 -35.018 -7.62113 GPRESSAVG: 3665800 -35.3397 -18.7655 -39.6193 -17.4168 47.7033 -34.1044 -41.3503 -34.3196 -8.89065 TIMING: 3665800 CPU: 11588.2, 0.00313601/step Wall: 11588.2, 0.00313601/step, 1.16224 hours remaining, 238.046875 MB of memory in use. ENERGY: 3665800 4048.8033 20702.7485 14325.5180 255.5068 -202412.5855 1958.6431 0.0000 0.0000 51821.8991 -109299.4668 297.8212 -161121.3659 -108932.3144 300.0230 -163.6993 -137.5782 762122.2943 1.0811 1.1576 PRESSURE: 3666000 155.361 -33.6297 56.8871 -33.6294 22.5019 55.6426 56.887 55.6436 159.963 GPRESSURE: 3666000 137.782 -18.5658 49.675 -84.1761 69.1781 124.597 117.204 -4.10734 203.134 PRESSAVG: 3666000 -27.4092 -51.2237 -46.3857 -51.2237 44.2066 -60.2942 -46.3857 -60.2942 8.96873 GPRESSAVG: 3666000 -27.8383 -51.6719 -45.6419 -52.155 43.1612 -62.5738 -46.295 -57.6128 10.4712 TIMING: 3666000 CPU: 11588.8, 0.00311023/step Wall: 11588.8, 0.00311023/step, 1.15251 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3666000 3978.9122 20666.1583 14394.5941 235.8371 -203550.7138 2677.7364 0.0000 0.0000 52079.6155 -109517.8602 299.3023 -161597.4757 -109168.5152 299.5296 112.6087 136.6980 760492.4009 8.5887 8.5980 PRESSURE: 3666200 -249.848 -7.51009 -140.137 -7.51006 -261.171 -15.3087 -140.137 -15.3087 -176.538 GPRESSURE: 3666200 -225.787 8.81488 -166.37 73.2133 -316.508 39.9815 -35.1051 -8.56375 -57.4017 PRESSAVG: 3666200 -40.6183 23.7631 1.76559 23.7631 33.9396 -7.72761 1.76555 -7.7276 26.0024 GPRESSAVG: 3666200 -42.3314 24.9257 -0.11285 23.6472 35.0361 -5.35749 2.35192 -11.9025 26.3096 TIMING: 3666200 CPU: 11589.4, 0.00312957/step Wall: 11589.4, 0.00312957/step, 1.15951 hours remaining, 238.046875 MB of memory in use. ENERGY: 3666200 3907.7648 20468.6784 14437.4347 251.0739 -203625.9600 2611.1682 0.0000 0.0000 52251.5159 -109698.3240 300.2902 -161949.8400 -109327.3544 298.8584 -229.1857 -199.8987 762821.2265 6.4412 6.3381 PRESSURE: 3666400 165.622 45.2931 3.20791 45.2929 -129.748 -87.7923 3.20719 -87.7915 33.8984 GPRESSURE: 3666400 187.277 15.8612 -18.5414 -30.9685 -121.461 -32.6065 -144.974 -117.464 89.1607 PRESSAVG: 3666400 -21.1293 28.0992 44.3347 28.0991 -40.478 25.6366 44.3346 25.6366 -4.07447 GPRESSAVG: 3666400 -19.3853 27.572 44.9301 27.5655 -40.9335 24.1927 43.1059 27.1287 -4.82339 TIMING: 3666400 CPU: 11590, 0.00315147/step Wall: 11590, 0.00315147/step, 1.16744 hours remaining, 238.046875 MB of memory in use. ENERGY: 3666400 4016.3844 20461.2692 14399.4730 261.8375 -203699.0785 2787.5154 0.0000 0.0000 52112.0907 -109660.5082 299.4889 -161772.5989 -109303.8810 298.7018 23.2574 51.6590 761898.1857 -21.8939 -21.7141 PRESSURE: 3666600 -262.031 -107.22 -188.014 -107.22 -188.062 250.988 -188.014 250.989 -565.913 GPRESSURE: 3666600 -231.162 -263.695 -187.538 -36.9376 -180.367 242.661 -147.071 87.7049 -520.557 PRESSAVG: 3666600 -12.2928 -10.0601 49.7983 -10.0602 -10.1872 -18.2767 49.7983 -18.2767 -17.1614 GPRESSAVG: 3666600 -12.5594 -11.2725 50.8683 -8.15063 -9.95125 -17.8791 49.0022 -19.5717 -16.7963 TIMING: 3666600 CPU: 11590.7, 0.00313815/step Wall: 11590.7, 0.00313815/step, 1.16234 hours remaining, 238.046875 MB of memory in use. ENERGY: 3666600 3979.2863 20579.0376 14455.6058 242.9498 -202920.3582 2054.2177 0.0000 0.0000 51982.0823 -109627.1786 298.7417 -161609.2609 -109258.1729 299.0873 -338.6683 -310.6954 762674.1097 -13.2138 -13.1023 PRESSURE: 3666800 24.0102 0.662771 148.936 0.662157 -71.0839 -123.259 148.937 -123.26 -157.883 GPRESSURE: 3666800 41.0307 45.2401 109.765 6.91836 21.0479 -2.4843 16.4419 -186.191 -197.745 PRESSAVG: 3666800 -3.84939 11.412 0.972588 11.412 -19.0397 -14.5109 0.972556 -14.5109 15.9471 GPRESSAVG: 3666800 -2.90497 12.0754 0.502224 10.7387 -17.9665 -14.2472 2.14578 -14.2458 14.3288 TIMING: 3666800 CPU: 11591.3, 0.00314612/step Wall: 11591.3, 0.00314612/step, 1.16511 hours remaining, 238.046875 MB of memory in use. ENERGY: 3666800 3954.3895 20501.4683 14392.8858 243.4593 -202985.1657 2351.7856 0.0000 0.0000 51958.2015 -109582.9757 298.6045 -161541.1772 -109214.2295 298.4916 -68.3188 -45.2221 761387.1797 -2.3140 -2.1809 PRESSURE: 3667000 -59.2892 11.5586 -127 11.5594 -248.744 -172.663 -127 -172.664 -165.223 GPRESSURE: 3667000 17.49 51.4008 -101.048 -104.815 -296.413 -256.263 -201.24 -56.3021 -118.77 PRESSAVG: 3667000 -39.8266 -8.52603 -15.5751 -8.52601 16.3345 -30.9837 -15.5751 -30.9837 -7.37752 GPRESSAVG: 3667000 -41.1194 -7.64934 -14.0181 -6.81843 16.5901 -31.6758 -17.3246 -28.8432 -6.15639 TIMING: 3667000 CPU: 11591.9, 0.0031607/step Wall: 11591.9, 0.0031607/step, 1.17034 hours remaining, 238.046875 MB of memory in use. ENERGY: 3667000 3976.5291 20776.0370 14359.2763 242.1629 -203374.0604 2368.7219 0.0000 0.0000 52037.2902 -109614.0431 299.0590 -161651.3332 -109262.7415 299.2000 -157.7521 -132.5643 761112.9830 -10.2899 -10.2285 PRESSURE: 3667200 556.769 -125.502 -137.623 -125.502 578.217 20.0034 -137.624 20.0032 299.915 GPRESSURE: 3667200 583.606 18.8517 -164.188 -103.382 570.116 -59.6664 -73.2377 84.2742 367.494 PRESSAVG: 3667200 37.5693 -65.8494 -35.2461 -65.8494 -68.1996 12.5748 -35.2461 12.5748 22.1496 GPRESSAVG: 3667200 38.0069 -64.8431 -36.8722 -67.6666 -68.8629 13.3919 -32.1703 10.0606 22.5761 TIMING: 3667200 CPU: 11592.6, 0.00315632/step Wall: 11592.6, 0.00315632/step, 1.16854 hours remaining, 238.046875 MB of memory in use. ENERGY: 3667200 3958.4765 20478.7938 14360.7119 249.1292 -203737.2838 3019.5379 0.0000 0.0000 51920.5175 -109750.1170 298.3879 -161670.6345 -109390.5583 298.8649 478.3004 507.0720 760744.1902 -2.8269 -2.7600 PRESSURE: 3667400 93.5437 115.737 -71.108 115.737 105.143 113.021 -71.1077 113.023 59.3675 GPRESSURE: 3667400 136.896 112.259 -135.155 93.9341 89.7884 104.478 -80.8509 108.383 113.754 PRESSAVG: 3667400 2.20353 31.9042 37.1761 31.9042 -19.1835 29.594 37.1761 29.5941 4.87632 GPRESSAVG: 3667400 2.64835 32.0127 39.1478 30.6639 -19.1145 28.1051 35.8406 31.6729 4.1632 TIMING: 3667400 CPU: 11593.2, 0.00317879/step Wall: 11593.2, 0.00317879/step, 1.17668 hours remaining, 238.046875 MB of memory in use. ENERGY: 3667400 3996.7809 20375.9279 14408.5578 248.5331 -203628.6697 2819.3626 0.0000 0.0000 52041.0652 -109738.4421 299.0807 -161779.5073 -109389.3715 298.8810 86.0181 113.4795 762476.8609 -4.0345 -4.1010 PRESSURE: 3667600 -342.865 -7.02222 -151.32 -7.02305 62.0454 10.9312 -151.32 10.9315 -166.282 GPRESSURE: 3667600 -277.31 -44.047 -180.752 37.0713 21.3833 12.3655 -86.6017 60.5832 -118.52 PRESSAVG: 3667600 20.1885 -44.5835 71.8155 -44.5835 40.8555 33.8752 71.8155 33.8752 -10.1895 GPRESSAVG: 3667600 20.8705 -45.4461 70.3709 -42.3174 40.3077 34.0982 73.1319 32.8841 -10.326 TIMING: 3667600 CPU: 11593.8, 0.00314306/step Wall: 11593.8, 0.00314306/step, 1.16328 hours remaining, 238.046875 MB of memory in use. ENERGY: 3667600 3988.1303 20481.7870 14409.7395 238.7869 -202729.0821 2187.7893 0.0000 0.0000 51714.8980 -109707.9510 297.2062 -161422.8490 -109346.4870 299.0779 -149.0340 -124.8154 762755.5093 16.9515 16.9507 PRESSURE: 3667800 -242.024 -14.4787 326.473 -14.4792 -170.279 20.5722 326.473 20.5722 74.0969 GPRESSURE: 3667800 -253.358 -41.3824 226.617 24.417 -79.0357 93.1769 258.194 58.9055 75.3746 PRESSAVG: 3667800 17.6474 0.146659 11.8749 0.146695 -0.926987 18.7402 11.8749 18.7402 29.5872 GPRESSAVG: 3667800 16.5225 -1.47054 11.9175 1.17223 -0.997474 18.7042 9.77043 19.9647 31.0015 TIMING: 3667800 CPU: 11594.5, 0.0031323/step Wall: 11594.5, 0.0031323/step, 1.15912 hours remaining, 238.046875 MB of memory in use. ENERGY: 3667800 3922.1112 20551.2763 14402.4861 254.4248 -203094.1780 2280.3665 0.0000 0.0000 51948.4833 -109735.0297 298.5486 -161683.5131 -109369.8154 298.8613 -112.7352 -85.6730 762733.7522 15.4359 15.5088 PRESSURE: 3668000 -220.436 23.2873 29.3314 23.2865 -108.873 -20.3574 29.3317 -20.3576 406.157 GPRESSURE: 3668000 -183.301 15.7946 106.909 -42.1374 -51.9228 -10.0041 176.784 -15.2186 384.095 PRESSAVG: 3668000 -4.77439 -17.4872 -45.3567 -17.4871 -16.479 1.95917 -45.3567 1.95918 37.2654 GPRESSAVG: 3668000 -3.44412 -15.508 -44.57 -20.1484 -16.2687 2.53239 -44.1349 1.69695 36.0026 TIMING: 3668000 CPU: 11595.1, 0.00314976/step Wall: 11595.1, 0.00314977/step, 1.16541 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3668000 4002.1326 20503.1532 14307.2343 252.1701 -203707.7842 2910.0831 0.0000 0.0000 52012.3060 -109720.7047 298.9154 -161733.0107 -109365.3034 298.7298 25.6159 49.6240 761152.0785 5.3373 5.4299 PRESSURE: 3668200 -89.6455 -259.56 -18.8913 -259.559 -277.042 -129.78 -18.8906 -129.779 -89.7392 GPRESSURE: 3668200 -123.709 -278.939 -46.1027 -143.054 -140.019 -143.388 -158.696 -97.9072 -106.912 PRESSAVG: 3668200 23.3072 -53.7695 -0.168532 -53.7695 -34.8987 40.7843 -0.168542 40.7843 -9.02674 GPRESSAVG: 3668200 21.4234 -55.6502 -2.3298 -50.4313 -34.1498 40.7626 -0.551873 40.7911 -8.37607 TIMING: 3668200 CPU: 11595.7, 0.00314897/step Wall: 11595.7, 0.00314897/step, 1.16495 hours remaining, 238.046875 MB of memory in use. ENERGY: 3668200 4044.9107 20456.5530 14462.2690 254.3842 -203839.5796 2707.6200 0.0000 0.0000 52213.4536 -109700.3891 300.0714 -161913.8426 -109340.8451 298.6880 -152.1423 -123.5468 760547.6919 -6.8728 -7.0342 LDB: ============= START OF LOAD BALANCING ============== 11608.1 LDB: ============== END OF LOAD BALANCING =============== 11608.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11608.1 LDB: ============= START OF LOAD BALANCING ============== 11608.4 LDB: Largest compute 7038 load 0.033593 is 17.1% of average load 0.195996 LDB: Average compute 0.004383 is 2.2% of average load 0.195996 LDB: TIME 11608.4 LOAD: AVG 0.195996 MAX 0.215224 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 11608.4 LOAD: AVG 0.195996 MAX 0.215224 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 11608.4 LOAD: AVG 0.195996 MAX 0.215224 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 11608.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11608.4 PRESSURE: 3668400 197.799 4.33306 -29.2243 4.33291 197.024 93.8016 -29.2248 93.8011 295.747 GPRESSURE: 3668400 238.07 27.8026 -63.1408 57.766 244.257 69.8356 -5.74397 82.4317 285.859 PRESSAVG: 3668400 36.1278 -15.1389 -44.9036 -15.139 5.64302 16.6476 -44.9036 16.6474 -13.1303 GPRESSAVG: 3668400 36.1388 -13.7588 -42.5911 -16.941 5.00565 15.884 -45.2221 15.2811 -13.3063 TIMING: 3668400 CPU: 11596.4, 0.00319101/step Wall: 11596.4, 0.00319101/step, 1.18032 hours remaining, 238.480469 MB of memory in use. ENERGY: 3668400 3931.5246 20548.2206 14396.7528 232.7958 -203472.0128 2842.4807 0.0000 0.0000 51653.2372 -109867.0011 296.8519 -161520.2383 -109522.0164 298.4633 230.1900 256.0620 761709.9994 9.5468 9.2794 PRESSURE: 3668600 -191.533 88.8159 -68.0226 88.8157 -92.2552 153.81 -68.0223 153.811 -131.246 GPRESSURE: 3668600 -83.4981 30.0285 -28.0689 7.75501 -84.628 114.984 -5.68267 93.6052 -151.964 PRESSAVG: 3668600 28.7278 11.5846 4.38697 11.5847 17.6017 33.9342 4.38704 33.9342 18.8966 GPRESSAVG: 3668600 27.7565 10.697 3.69931 12.3134 19.6349 33.6501 4.41393 34.5049 17.3583 TIMING: 3668600 CPU: 11597, 0.00313809/step Wall: 11597, 0.00313809/step, 1.16057 hours remaining, 238.480469 MB of memory in use. ENERGY: 3668600 3913.3889 20495.6958 14407.2619 245.1533 -203470.7021 2805.9304 0.0000 0.0000 51738.4240 -109864.8478 297.3414 -161603.2718 -109499.5499 298.2331 -138.3445 -106.6966 762565.9240 21.7421 21.5832 PRESSURE: 3668800 147.347 13.9077 125.796 13.9083 210.07 181.798 125.796 181.799 247.521 GPRESSURE: 3668800 265.167 -11.2056 144.894 34.4487 157.914 124.878 37.1886 254.127 268.976 PRESSAVG: 3668800 -15.4058 57.3541 -21.8444 57.3541 -9.05772 -1.06651 -21.8444 -1.06646 -10.7956 GPRESSAVG: 3668800 -14.4052 59.2148 -22.3849 54.6115 -10.8771 -0.440369 -20.7062 -0.697806 -9.65943 TIMING: 3668800 CPU: 11597.6, 0.00316496/step Wall: 11597.6, 0.00316496/step, 1.17033 hours remaining, 238.738281 MB of memory in use. ENERGY: 3668800 3950.6112 20310.6713 14399.6728 261.8590 -203751.0328 2879.4006 0.0000 0.0000 51869.4562 -110079.3618 298.0945 -161948.8179 -109705.0749 297.8177 201.6461 230.6858 760062.0816 -11.7530 -11.6472 PRESSURE: 3669000 112.547 -81.4314 -107.153 -81.4315 194.982 -90.4903 -107.154 -90.4898 -279.016 GPRESSURE: 3669000 77.7353 108.397 -44.8631 -142.368 313.095 -128.828 -101.036 -54.9981 -257.313 PRESSAVG: 3669000 -3.1693 -28.1681 -30.0503 -28.1681 -0.971165 53.4657 -30.0503 53.4657 -17.5004 GPRESSAVG: 3669000 -4.33247 -27.9538 -29.932 -28.015 -0.41387 54.1115 -30.4156 54.5623 -16.8315 TIMING: 3669000 CPU: 11598.2, 0.00314052/step Wall: 11598.2, 0.00314052/step, 1.16112 hours remaining, 238.738281 MB of memory in use. ENERGY: 3669000 4022.6579 20430.9648 14498.1879 228.1201 -203827.8481 2818.7136 0.0000 0.0000 52089.3958 -109739.8080 299.3585 -161829.2038 -109387.8826 297.8131 9.5044 44.5057 760369.0883 -7.2136 -7.1926 PRESSURE: 3669200 -17.1008 -162.033 -55.6009 -162.033 -23.1972 113.348 -55.6005 113.348 -205.661 GPRESSURE: 3669200 12.8881 -43.4216 -74.1186 -131.519 70.377 106.015 -34.4446 73.9413 -230.541 PRESSAVG: 3669200 -0.362031 -65.1098 -13.6433 -65.1098 24.275 -9.93794 -13.6433 -9.93788 7.63154 GPRESSAVG: 3669200 1.17079 -65.1017 -13.2717 -64.2204 24.3896 -10.6407 -14.1543 -13.8306 5.81681 TIMING: 3669200 CPU: 11598.9, 0.00313913/step Wall: 11598.9, 0.00313913/step, 1.16043 hours remaining, 238.738281 MB of memory in use. ENERGY: 3669200 4018.9687 20442.8501 14374.6149 254.8804 -203658.3481 2866.7297 0.0000 0.0000 51899.3183 -109800.9859 298.2661 -161700.3043 -109445.1844 298.7686 -81.9863 -49.0920 760737.0667 10.5148 10.4591 PRESSURE: 3669400 -302.746 -171.769 128.224 -171.769 -44.5162 -56.8521 128.224 -56.8516 622.591 GPRESSURE: 3669400 -201.843 -168.806 138 -179.152 -34.0356 -29.0555 30.9306 17.85 613.521 PRESSAVG: 3669400 -44.5593 -34.5524 -46.8034 -34.5525 35.2327 32.3654 -46.8034 32.3653 15.1991 GPRESSAVG: 3669400 -43.1958 -35.9091 -44.8507 -35.3276 34.2347 32.4447 -48.6669 35.7276 14.8314 TIMING: 3669400 CPU: 11599.5, 0.00313148/step Wall: 11599.5, 0.00313148/step, 1.15743 hours remaining, 238.738281 MB of memory in use. ENERGY: 3669400 4010.7596 20516.8598 14349.9734 239.9372 -203552.9537 2804.0236 0.0000 0.0000 51777.4727 -109853.9274 297.5658 -161631.4001 -109495.5625 298.3332 91.7762 125.8806 762354.0471 1.9575 1.9568 PRESSURE: 3669600 153.626 166.103 -49.9011 166.102 -206.912 97.4698 -49.902 97.4697 -48.4092 GPRESSURE: 3669600 182.714 176.838 -61.0142 81.6301 -150.166 80.6394 -22.8636 -64.4433 -33.0094 PRESSAVG: 3669600 11.5144 23.7657 5.31186 23.7657 -26.3582 -8.79564 5.31187 -8.79563 -12.175 GPRESSAVG: 3669600 9.99501 24.3755 3.78845 24.5408 -25.697 -9.14815 6.13668 -10.2885 -11.7278 TIMING: 3669600 CPU: 11600.1, 0.00314658/step Wall: 11600.1, 0.00314658/step, 1.16284 hours remaining, 238.738281 MB of memory in use. ENERGY: 3669600 3983.0205 20487.1166 14431.1100 242.9408 -203326.9956 2566.1871 0.0000 0.0000 51829.2833 -109787.3373 297.8636 -161616.6206 -109426.6880 298.4267 -33.8983 -0.1539 761371.1237 -9.0063 -9.1433 PRESSURE: 3669800 22.0698 58.9051 4.55263 58.9057 -166.05 30.8091 4.55309 30.8087 -192.858 GPRESSURE: 3669800 54.5079 60.2356 20.8459 101.921 -99.7668 24.2575 31.6468 -7.59986 -188.114 PRESSAVG: 3669800 21.2864 -37.881 -40.8995 -37.881 -61.5755 -72.2919 -40.8995 -72.2919 41.8969 GPRESSAVG: 3669800 22.9969 -38.7816 -41.5449 -36.4867 -62.3567 -72.8469 -39.3189 -72.8964 41.3869 TIMING: 3669800 CPU: 11600.8, 0.00315925/step Wall: 11600.8, 0.00315925/step, 1.16734 hours remaining, 238.738281 MB of memory in use. ENERGY: 3669800 3988.0989 20392.1467 14390.2449 254.1857 -203620.2971 2596.0204 0.0000 0.0000 52161.8952 -109837.7053 299.7751 -161999.6005 -109468.4386 298.8245 -112.2793 -77.7910 761645.3862 0.5360 0.6757 PRESSURE: 3670000 -218.314 219.606 321.88 219.605 -181.83 148.685 321.88 148.685 7.19344 GPRESSURE: 3670000 -221.877 243.374 285.825 190.956 -126.221 236.748 271.353 40.7673 33.1291 PRESSAVG: 3670000 -55.1219 -20.3592 -5.81499 -20.3592 -17.4249 -30.0323 -5.81506 -30.0323 -32.576 GPRESSAVG: 3670000 -56.579 -18.0255 -4.27303 -21.1839 -16.7599 -29.3684 -5.59238 -28.9132 -32.5551 TIMING: 3670000 CPU: 11601.4, 0.00315293/step Wall: 11601.4, 0.00315293/step, 1.16483 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3670000 4042.4454 20519.5868 14443.9750 249.4087 -203399.2114 2514.0388 0.0000 0.0000 51864.2349 -109765.5218 298.0645 -161629.7567 -109405.7312 298.7202 -130.9838 -104.9898 760920.2700 -35.0409 -35.2980 PRESSURE: 3670200 60.4408 300.038 -184.239 300.037 309.287 -3.41159 -184.238 -3.41067 -543.552 GPRESSURE: 3670200 84.8253 319.664 -211.91 189.534 262.255 -30.4766 -76.8844 -2.38347 -425.486 PRESSAVG: 3670200 -13.6882 31.3396 -41.379 31.3395 24.3299 -28.9799 -41.379 -28.9798 9.90628 GPRESSAVG: 3670200 -14.0833 29.1511 -43.5695 29.927 24.345 -28.4323 -41.3682 -28.1083 10.2459 TIMING: 3670200 CPU: 11602, 0.0031399/step Wall: 11602, 0.0031399/step, 1.15984 hours remaining, 238.738281 MB of memory in use. ENERGY: 3670200 4065.8351 20467.6014 14471.7117 237.2327 -203801.5142 2853.2230 0.0000 0.0000 52001.7266 -109704.1837 298.8546 -161705.9103 -109336.4374 298.7188 -57.9413 -26.1351 761431.0647 6.8493 6.8359 PRESSURE: 3670400 22.378 40.491 109.208 40.491 66.1821 7.00473 109.208 7.00618 94.1195 GPRESSURE: 3670400 35.6471 23.6412 166.475 106.402 108.408 25.6904 160.6 -27.7505 122.733 PRESSAVG: 3670400 -40.8138 13.2947 -5.39996 13.2948 50.3443 28.2122 -5.39996 28.2123 -0.251459 GPRESSAVG: 3670400 -39.1603 13.571 -4.3732 15.5312 48.9334 29.6315 -4.45193 26.614 -0.298867 TIMING: 3670400 CPU: 11602.7, 0.00315515/step Wall: 11602.7, 0.00315515/step, 1.1653 hours remaining, 238.738281 MB of memory in use. ENERGY: 3670400 3924.4416 20494.2662 14480.6466 234.4371 -203652.8581 2661.1085 0.0000 0.0000 52104.0815 -109753.8766 299.4429 -161857.9581 -109385.6488 298.7339 60.8932 88.9297 761273.0507 3.0930 3.1581 PRESSURE: 3670600 315.093 76.8474 -14.3237 76.8479 178.506 -127.108 -14.3236 -127.108 512.29 GPRESSURE: 3670600 455.291 100.15 -28.0516 122.58 155.329 -77.031 -22.9929 -104.046 483.511 PRESSAVG: 3670600 6.27149 31.6007 -10.2306 31.6008 29.261 2.79066 -10.2306 2.79064 13.696 GPRESSAVG: 3670600 5.53609 31.0178 -9.95538 29.2979 29.9626 1.70141 -10.4948 3.65363 13.8626 TIMING: 3670600 CPU: 11603.3, 0.00317414/step Wall: 11603.3, 0.00317414/step, 1.17214 hours remaining, 238.738281 MB of memory in use. ENERGY: 3670600 3969.2751 20444.0413 14454.9847 244.4443 -203405.8880 2691.6052 0.0000 0.0000 52026.9333 -109574.6038 298.9995 -161601.5372 -109212.8351 298.5986 335.2961 364.7104 760746.6834 16.4095 16.4538 PRESSURE: 3670800 429.865 11.1363 -318.878 11.1369 130.711 70.4453 -318.879 70.4463 -143.262 GPRESSURE: 3670800 433.949 62.0233 -167.609 71.2614 219.537 53.1566 -350.632 149.668 -143.642 PRESSAVG: 3670800 5.19788 -26.5476 17.1837 -26.5475 -9.32488 -12.2165 17.1837 -12.2166 -1.83446 GPRESSAVG: 3670800 5.07321 -23.6035 17.0144 -25.8528 -9.17755 -12.7237 16.754 -11.5358 -1.99349 TIMING: 3670800 CPU: 11603.9, 0.00317965/step Wall: 11603.9, 0.00317965/step, 1.174 hours remaining, 238.738281 MB of memory in use. ENERGY: 3670800 3915.0674 20478.0524 14456.6294 257.9864 -203530.8304 2686.8865 0.0000 0.0000 52072.8649 -109663.3435 299.2635 -161736.2084 -109297.8886 299.0116 139.1048 169.9478 760585.4906 -1.9872 -2.0326 PRESSURE: 3671000 -299.197 -34.4237 131.449 -34.4237 -268.899 365.308 131.45 365.309 70.9161 GPRESSURE: 3671000 -329.739 -195.401 85.2396 -9.3556 -172.638 345.106 131.897 460.149 102.401 PRESSAVG: 3671000 -8.40207 3.73483 26.8897 3.73481 14.1109 26.3712 26.8897 26.3711 19.108 GPRESSAVG: 3671000 -8.03573 1.53167 27.7197 2.51827 14.4604 25.7159 27.1948 27.6791 18.4587 TIMING: 3671000 CPU: 11604.6, 0.00321844/step Wall: 11604.6, 0.00321844/step, 1.18814 hours remaining, 238.738281 MB of memory in use. ENERGY: 3671000 4007.8967 20559.9457 14442.7888 241.6958 -203259.7601 2466.8425 0.0000 0.0000 51979.8185 -109560.7720 298.7287 -161540.5905 -109203.7015 299.0232 -165.7267 -133.3251 762827.0797 8.2723 8.2945 PRESSURE: 3671200 -110.04 36.1033 -85.0015 36.1034 -141.422 103.565 -85.0014 103.566 -163.411 GPRESSURE: 3671200 -61.1871 5.61391 -61.0308 41.4312 -133.81 77.6219 1.76273 68.2592 -130.158 PRESSAVG: 3671200 -24.9716 -25.5418 48.9111 -25.5419 20.8497 -27.8536 48.9111 -27.8536 20.6002 GPRESSAVG: 3671200 -24.9197 -23.6609 46.7236 -25.5734 19.8411 -26.1604 49.3064 -31.6805 21.4055 TIMING: 3671200 CPU: 11605.2, 0.0032017/step Wall: 11605.2, 0.0032017/step, 1.18178 hours remaining, 238.738281 MB of memory in use. ENERGY: 3671200 3982.1232 20557.2571 14375.7246 251.0767 -203325.3486 2544.2815 0.0000 0.0000 52063.7505 -109551.1350 299.2111 -161614.8855 -109182.7012 299.0304 -138.2912 -108.3848 761847.7012 5.4928 5.4423 PRESSURE: 3671400 -550.861 -133.898 110.61 -133.898 -401.115 -137.38 110.61 -137.378 199.041 GPRESSURE: 3671400 -529.927 -98.9868 149.722 -101.654 -364.63 -147.028 203.797 -144.203 222.387 PRESSAVG: 3671400 -22.9821 -70.2292 -24.4293 -70.2291 -3.49243 -21.0728 -24.4293 -21.0728 -7.01947 GPRESSAVG: 3671400 -22.4969 -71.8776 -21.9476 -69.1689 -3.45692 -22.7429 -25.9865 -18.5602 -7.87518 TIMING: 3671400 CPU: 11605.9, 0.00323434/step Wall: 11605.9, 0.00323434/step, 1.19365 hours remaining, 238.738281 MB of memory in use. ENERGY: 3671400 3840.2703 20648.7256 14411.7505 244.1231 -203054.5864 2206.7296 0.0000 0.0000 52079.8642 -109623.1232 299.3037 -161702.9874 -109258.6546 299.1699 -250.9780 -224.0565 762159.8387 -11.1647 -11.2763 PRESSURE: 3671600 -144.68 -174.031 -108.587 -174.031 109.687 40.8897 -108.587 40.8894 553.445 GPRESSURE: 3671600 -110.31 -178.742 -113.286 -132.33 164.595 113.248 -72.7584 85.1367 529.366 PRESSAVG: 3671600 -29.0847 48.7529 7.79993 48.7529 -26.2814 15.4244 7.79987 15.4244 16.3563 GPRESSAVG: 3671600 -29.6747 48.4546 6.9792 48.4579 -25.5139 15.5152 5.73827 15.2195 16.3864 TIMING: 3671600 CPU: 11606.5, 0.00322366/step Wall: 11606.5, 0.00322366/step, 1.18953 hours remaining, 238.738281 MB of memory in use. ENERGY: 3671600 3991.2863 20609.9861 14405.6318 258.7740 -203357.6614 2641.1120 0.0000 0.0000 51946.2212 -109504.6500 298.5356 -161450.8712 -109138.0026 299.3338 172.8173 194.5503 761079.3216 -13.0033 -12.9341 PRESSURE: 3671800 -51.3942 65.3274 24.8056 65.3278 -107.887 -8.93483 24.8054 -8.93438 188.314 GPRESSURE: 3671800 -49.6026 28.722 -34.4622 -31.4602 -86.3648 -180.598 -15.0858 14.1169 246.754 PRESSAVG: 3671800 -56.2017 -49.0478 -2.73931 -49.0478 54.6244 26.9503 -2.73942 26.9503 15.1876 GPRESSAVG: 3671800 -56.1693 -46.3329 -2.48519 -50.0636 54.2165 26.4463 -0.800445 26.5865 16.173 TIMING: 3671800 CPU: 11607.1, 0.00319896/step Wall: 11607.1, 0.00319896/step, 1.18024 hours remaining, 238.738281 MB of memory in use. ENERGY: 3671800 3865.0148 20664.6134 14384.7159 274.6186 -203240.2571 2653.3924 0.0000 0.0000 51964.6423 -109433.2597 298.6415 -161397.9020 -109075.5868 299.2152 9.6775 36.9289 763677.3844 4.5368 4.7401 PRESSURE: 3672000 -136.98 117.695 -96.9453 117.695 -98.0523 73.0075 -96.9454 73.0073 219.568 GPRESSURE: 3672000 -127.919 -31.7579 -55.0684 135.965 -97.7478 70.6574 -85.767 -48.7474 300.432 PRESSAVG: 3672000 -11.9425 -8.70281 14.0623 -8.70282 39.8154 24.7171 14.0623 24.7171 -9.77741 GPRESSAVG: 3672000 -11.9011 -11.7931 11.1297 -7.1273 40.8261 26.1901 17.0179 24.88 -10.3391 TIMING: 3672000 CPU: 11607.8, 0.00318857/step Wall: 11607.8, 0.00318857/step, 1.17623 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3672000 3945.4815 20742.3552 14330.1393 242.9129 -203365.3544 2514.3136 0.0000 0.0000 52227.2401 -109362.9118 300.1507 -161590.1519 -108994.6281 299.2406 -5.1548 24.9216 761145.3271 6.0318 6.1953 PRESSURE: 3672200 -126.116 25.9682 -53.083 25.9681 -214.077 -110.54 -53.0831 -110.539 -48.1285 GPRESSURE: 3672200 -148.649 4.34194 -47.442 99.7458 -166.095 -51.3126 76.3225 -54.4301 24.2896 PRESSAVG: 3672200 -3.84019 -20.8971 -25.4288 -20.897 -0.170115 20.7828 -25.4288 20.7828 21.576 GPRESSAVG: 3672200 -4.24955 -19.1495 -22.8684 -21.2574 -0.710805 20.7743 -28.6747 19.7907 23.0838 TIMING: 3672200 CPU: 11608.4, 0.00316961/step Wall: 11608.4, 0.00316961/step, 1.16906 hours remaining, 238.738281 MB of memory in use. ENERGY: 3672200 3959.6028 20387.7930 14481.5870 250.0688 -203438.6198 2671.9426 0.0000 0.0000 52149.0219 -109538.6036 299.7011 -161687.6256 -109169.9227 299.5301 -129.4405 -96.8179 761042.2062 5.8552 6.0412 LDB: ============= START OF LOAD BALANCING ============== 11620.8 LDB: ============== END OF LOAD BALANCING =============== 11620.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11620.8 LDB: ============= START OF LOAD BALANCING ============== 11621.1 LDB: Largest compute 7034 load 0.032041 is 16.4% of average load 0.195955 LDB: Average compute 0.004391 is 2.2% of average load 0.195955 LDB: TIME 11621.1 LOAD: AVG 0.195955 MAX 0.215513 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 11621.1 LOAD: AVG 0.195955 MAX 0.215513 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 11621.1 LOAD: AVG 0.195955 MAX 0.215513 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11621.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11621.1 PRESSURE: 3672400 -356.595 -254.215 127.154 -254.214 243.142 -19.136 127.154 -19.1362 216.311 GPRESSURE: 3672400 -341.282 -170.085 146.386 -185.8 366.138 -78.4594 56.8637 -55.9521 175.444 PRESSAVG: 3672400 -57.2869 33.2126 -30.7849 33.2126 96.8732 -20.5271 -30.7848 -20.5271 -3.55852 GPRESSAVG: 3672400 -57.5801 32.5264 -34.2441 34.1053 97.7906 -22.3822 -30.1059 -20.0578 -4.65524 TIMING: 3672400 CPU: 11609.1, 0.00328954/step Wall: 11609.1, 0.00328954/step, 1.21311 hours remaining, 238.152344 MB of memory in use. ENERGY: 3672400 3901.6728 20620.6462 14447.7382 236.9645 -203130.3546 2445.0440 0.0000 0.0000 51910.1614 -109568.1273 298.3284 -161478.2887 -109196.5533 298.9652 34.2863 66.7668 759333.1477 12.0093 11.8518 PRESSURE: 3672600 -106.809 38.6912 -215.563 38.691 33.0099 -181.433 -215.564 -181.433 184.127 GPRESSURE: 3672600 -42.3511 57.5934 -332.573 -9.73527 35.7669 -117.535 -193.807 -61.571 220.92 PRESSAVG: 3672600 -35.9683 10.0368 -29.2353 10.0367 41.3328 5.01504 -29.2353 5.01498 -12.9991 GPRESSAVG: 3672600 -34.5975 6.5269 -26.4693 12.2106 39.3758 7.00155 -30.4164 4.31682 -12.7943 TIMING: 3672600 CPU: 11609.7, 0.00322952/step Wall: 11609.7, 0.00322952/step, 1.1908 hours remaining, 238.355469 MB of memory in use. ENERGY: 3672600 3970.2355 20504.9352 14424.3438 240.2937 -203142.8609 2528.1447 0.0000 0.0000 51867.0912 -109607.8169 298.0809 -161474.9081 -109243.3993 299.0965 36.7760 71.4452 761051.7241 -2.5449 -2.6720 PRESSURE: 3672800 -99.9282 113.074 -348.137 113.074 -27.5657 23.6483 -348.137 23.6478 -172.968 GPRESSURE: 3672800 -107.795 79.918 -361.497 194.665 38.2927 49.0208 -254.728 6.80647 -144.609 PRESSAVG: 3672800 -49.6519 21.4432 3.2966 21.4432 22.5407 23.4016 3.29661 23.4016 12.9137 GPRESSAVG: 3672800 -50.8609 24.4953 2.32816 20.821 23.6796 23.4698 4.27357 23.274 12.9064 TIMING: 3672800 CPU: 11610.4, 0.00319853/step Wall: 11610.4, 0.00319853/step, 1.17919 hours remaining, 238.355469 MB of memory in use. ENERGY: 3672800 4033.0781 20397.3360 14451.9858 256.8922 -203059.0719 2416.3443 0.0000 0.0000 52051.9480 -109451.4874 299.1433 -161503.4354 -109088.1590 299.7784 -100.1540 -71.3704 761289.6162 -4.7325 -4.7583 PRESSURE: 3673000 -219.413 -71.027 -31.2388 -71.0278 -301.503 209.587 -31.2396 209.588 -118.265 GPRESSURE: 3673000 -221.408 -7.06623 -30.8249 -135.508 -299.43 140.053 -7.34985 192.568 -50.7518 PRESSAVG: 3673000 -61.5491 15.0593 -43.5311 15.0593 61.1545 -10.5514 -43.5312 -10.5515 6.58749 GPRESSAVG: 3673000 -62.487 16.7764 -43.3716 14.3023 61.6126 -12.7323 -41.8602 -9.87872 6.32906 TIMING: 3673000 CPU: 11611, 0.00320681/step Wall: 11611, 0.00320681/step, 1.18206 hours remaining, 238.355469 MB of memory in use. ENERGY: 3673000 3992.4668 20516.3273 14431.4487 251.0148 -203445.9370 2439.1423 0.0000 0.0000 52092.8329 -109722.7041 299.3782 -161815.5370 -109354.2096 299.1448 -213.0604 -190.5299 763000.8146 2.0643 1.8182 PRESSURE: 3673200 170.337 -55.1851 -125.767 -55.1871 258.112 -28.4796 -125.768 -28.4802 185.962 GPRESSURE: 3673200 204.533 -40.9507 13.1279 -67.5088 337.636 -61.0024 -164.141 -97.5428 148.073 PRESSAVG: 3673200 -11.0224 -6.70236 -29.7181 -6.70236 12.4728 17.4024 -29.7181 17.4023 16.8288 GPRESSAVG: 3673200 -10.2714 -9.42225 -27.7614 -5.58812 12.767 20.9572 -30.5992 15.9706 16.7318 TIMING: 3673200 CPU: 11611.6, 0.00315584/step Wall: 11611.6, 0.00315584/step, 1.1631 hours remaining, 238.355469 MB of memory in use. ENERGY: 3673200 4043.4807 20520.9663 14423.6860 245.4868 -203455.9365 2679.5457 0.0000 0.0000 51755.9994 -109786.7717 297.4424 -161542.7711 -109423.8618 298.6281 204.8037 230.0810 761358.8892 6.0931 6.4091 PRESSURE: 3673400 142.094 -168.55 -44.3397 -168.55 64.1304 -114.135 -44.3406 -114.136 199.074 GPRESSURE: 3673400 194.378 -49.5038 -22.7403 -238.415 111.541 -88.6752 -39.4107 -170.489 205.373 PRESSAVG: 3673400 -17.2061 9.7592 0.4182 9.75917 15.7185 8.49364 0.418217 8.49355 -1.92208 GPRESSAVG: 3673400 -17.113 11.0964 -1.25512 9.29725 16.0295 6.94594 -0.790096 9.71143 -2.77397 TIMING: 3673400 CPU: 11612.3, 0.00320208/step Wall: 11612.3, 0.00320208/step, 1.17997 hours remaining, 238.355469 MB of memory in use. ENERGY: 3673400 3956.5267 20514.2178 14477.3336 239.3220 -203860.8679 2857.9817 0.0000 0.0000 52215.5526 -109599.9335 300.0835 -161815.4861 -109239.0153 298.7903 135.0995 170.4309 761545.6837 -1.1366 -1.2858 PRESSURE: 3673600 -163.22 75.7788 62.1616 75.7796 145.422 -183.601 62.1624 -183.601 -114.985 GPRESSURE: 3673600 -67.441 34.6013 52.4667 86.9662 169.626 -274.33 67.2317 -284.332 -128.4 PRESSAVG: 3673600 -29.2023 12.0097 -11.8613 12.0097 -18.5408 2.87245 -11.8614 2.87246 -18.0166 GPRESSAVG: 3673600 -28.9555 10.5607 -12.0708 11.6224 -19.9587 3.19655 -11.5178 4.34231 -15.9291 TIMING: 3673600 CPU: 11612.9, 0.00323303/step Wall: 11612.9, 0.00323303/step, 1.19119 hours remaining, 238.355469 MB of memory in use. ENERGY: 3673600 4023.0159 20311.4682 14420.7440 256.1246 -203327.3832 2762.4911 0.0000 0.0000 52032.5601 -109520.9793 299.0318 -161553.5393 -109157.4347 298.8957 -44.2607 -8.7382 761515.0996 -21.9199 -21.6144 PRESSURE: 3673800 -165.213 77.8244 186.636 77.8244 217.288 100.002 186.634 100.001 67.3544 GPRESSURE: 3673800 -135.194 26.811 221.986 168.674 239.885 129.199 2.64766 202.778 94.7427 PRESSAVG: 3673800 -8.45081 8.79165 13.8483 8.79167 4.46805 -7.36528 13.8483 -7.36523 8.42179 GPRESSAVG: 3673800 -8.58238 9.5563 13.977 7.68393 5.67733 -8.16934 14.7701 -6.95762 7.27556 TIMING: 3673800 CPU: 11613.5, 0.00316174/step Wall: 11613.5, 0.00316174/step, 1.16475 hours remaining, 238.355469 MB of memory in use. ENERGY: 3673800 4005.4756 20476.2465 14381.9024 250.5946 -203354.1067 2706.2632 0.0000 0.0000 51931.8703 -109601.7541 298.4532 -161533.6243 -109236.2665 299.3474 39.8100 66.4778 762047.4065 1.4797 1.4568 PRESSURE: 3674000 33.9413 13.5866 126.969 13.5871 290.587 283.332 126.969 283.332 -342.022 GPRESSURE: 3674000 98.4244 14.3811 114.028 71.623 267.121 140.28 97.1397 109.231 -303.395 PRESSAVG: 3674000 -34.0135 7.81117 47.8072 7.81118 52.718 25.5314 47.8072 25.5315 -17.0813 GPRESSAVG: 3674000 -33.6651 9.54367 49.6375 9.83834 52.8395 25.0068 44.2032 24.3263 -17.194 TIMING: 3674000 CPU: 11614.2, 0.00315652/step Wall: 11614.2, 0.00315652/step, 1.16265 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3674000 3941.6030 20457.2918 14423.5314 219.1392 -203235.3791 2579.9660 0.0000 0.0000 51925.1911 -109688.6565 298.4148 -161613.8476 -109334.7226 298.6767 -5.8313 20.7168 761290.4751 0.5411 0.6601 PRESSURE: 3674200 278.062 -100.28 16.2298 -100.28 44.9084 -72.9487 16.2299 -72.9477 281.245 GPRESSURE: 3674200 282.332 -205.636 3.00707 -100.35 71.6562 -52.4903 -48.3854 -148.436 349.331 PRESSAVG: 3674200 -0.068894 42.8007 13.2242 42.8007 -7.15563 68.489 13.2241 68.4889 -2.65482 GPRESSAVG: 3674200 -1.64553 42.1099 12.248 42.3901 -5.1977 69.3903 13.8052 67.932 -3.14817 TIMING: 3674200 CPU: 11614.8, 0.00316618/step Wall: 11614.8, 0.00316618/step, 1.16603 hours remaining, 238.355469 MB of memory in use. ENERGY: 3674200 3984.0419 20421.3396 14389.4764 232.8647 -203369.5845 3045.9218 0.0000 0.0000 51730.7181 -109565.2219 297.2971 -161295.9400 -109211.7386 298.6903 201.4051 234.4397 760801.3087 -3.2931 -3.3305 PRESSURE: 3674400 10.1938 119.654 -209.18 119.655 22.5502 -64.4498 -209.18 -64.45 23.2223 GPRESSURE: 3674400 105.69 -60.666 -150.504 134.53 -74.0458 53.2211 -188.043 -150.026 119.318 PRESSAVG: 3674400 -25.2263 29.1654 -31.2688 29.1654 38.6549 -52.6968 -31.2689 -52.6968 -16.1281 GPRESSAVG: 3674400 -24.3795 29.4025 -31.5672 27.4746 37.5033 -52.4557 -29.1344 -50.7596 -15.5427 TIMING: 3674400 CPU: 11615.4, 0.00316388/step Wall: 11615.4, 0.00316388/step, 1.16501 hours remaining, 238.355469 MB of memory in use. ENERGY: 3674400 3914.2485 20328.4557 14334.5399 237.7903 -202999.9255 2611.5666 0.0000 0.0000 52005.5163 -109567.8083 298.8764 -161573.3245 -109210.4168 298.7574 18.6554 50.3207 761926.4558 -0.8998 -0.8063 PRESSURE: 3674600 -72.9733 77.3732 57.5864 77.3727 -90.6826 212.374 57.586 212.374 272.967 GPRESSURE: 3674600 14.1735 43.6138 -27.457 86.7139 -24.0611 187.36 55.4536 255.458 216.099 PRESSAVG: 3674600 2.85144 55.0635 -48.6268 55.0634 -6.68043 45.9554 -48.6269 45.9554 -6.63836 GPRESSAVG: 3674600 2.86642 52.9573 -48.2532 56.4095 -6.44612 46.7787 -49.1157 44.894 -6.49788 TIMING: 3674600 CPU: 11616.1, 0.00318681/step Wall: 11616.1, 0.00318681/step, 1.17328 hours remaining, 238.355469 MB of memory in use. ENERGY: 3674600 4009.0349 20332.1405 14395.0262 270.7405 -203289.9491 2754.9045 0.0000 0.0000 51984.2523 -109543.8502 298.7542 -161528.1026 -109192.5153 298.8694 36.4370 68.7371 763035.7055 -3.4891 -3.3592 PRESSURE: 3674800 -100.031 -109.131 -8.25819 -109.131 -109.784 -56.8745 -8.25864 -56.8736 -4.7189 GPRESSURE: 3674800 -120.743 -94.1549 113.527 -62.1156 -13.5266 -2.20932 -59.5483 -79.0786 1.30863 PRESSAVG: 3674800 -54.8479 15.0644 0.848263 15.0644 27.6 -19.9461 0.848276 -19.946 -6.4027 GPRESSAVG: 3674800 -56.0906 16.7634 -0.0633083 13.3523 27.4034 -19.5237 -1.06851 -20.2808 -5.3811 TIMING: 3674800 CPU: 11616.7, 0.00319251/step Wall: 11616.7, 0.00319251/step, 1.1752 hours remaining, 238.355469 MB of memory in use. ENERGY: 3674800 3981.1663 20341.1488 14338.4851 241.0461 -202695.9221 2413.3513 0.0000 0.0000 51823.8216 -109556.9029 297.8322 -161380.7245 -109210.2939 298.5968 -71.5112 -44.3202 763947.4006 -11.2169 -11.3561 PRESSURE: 3675000 315.719 66.8271 39.7626 66.8275 -24.9842 75.7987 39.7632 75.7991 -61.6056 GPRESSURE: 3675000 328.11 66.8519 -9.68133 145.619 -24.343 213.072 106.561 46.7367 7.87029 PRESSAVG: 3675000 -26.0834 -0.258095 -8.12521 -0.258172 12.1101 18.1416 -8.12526 18.1415 -17.7508 GPRESSAVG: 3675000 -26.6036 -0.385594 -7.96367 0.3317 12.192 16.8089 -6.84709 21.6509 -17.4044 TIMING: 3675000 CPU: 11617.3, 0.00315868/step Wall: 11617.3, 0.00315868/step, 1.16257 hours remaining, 238.355469 MB of memory in use. ENERGY: 3675000 3960.9309 20430.1643 14299.5268 237.6092 -203435.8058 2762.9298 0.0000 0.0000 52074.4926 -109670.1521 299.2728 -161744.6447 -109311.3776 299.2781 76.3762 103.8791 761298.0846 -10.5747 -10.6053 PRESSURE: 3675200 48.4305 -303.065 222.185 -303.065 -56.4757 146.824 222.185 146.824 35.8599 GPRESSURE: 3675200 111.529 -208.323 185.103 -270.255 -8.7801 -8.09569 267.993 187.226 17.9747 PRESSAVG: 3675200 15.9913 30.1725 15.4457 30.1726 -0.778171 34.0843 15.4457 34.0842 24.8107 GPRESSAVG: 3675200 18.0735 28.9931 14.4281 32.2358 -0.923352 32.8609 16.7353 32.843 22.9612 TIMING: 3675200 CPU: 11618, 0.00318193/step Wall: 11618, 0.00318193/step, 1.17095 hours remaining, 238.355469 MB of memory in use. ENERGY: 3675200 4009.7635 20325.8102 14379.9668 235.1913 -203170.5384 2658.4487 0.0000 0.0000 52068.0418 -109493.3162 299.2358 -161561.3580 -109138.8856 299.2322 9.2716 40.2411 762357.3455 13.3413 13.3705 PRESSURE: 3675400 -304.589 22.102 250.302 22.1028 -250.11 169.085 250.301 169.086 -254.297 GPRESSURE: 3675400 -292.456 59.5385 229.594 -116.407 -249.094 79.4864 190.138 3.6839 -188.722 PRESSAVG: 3675400 21.6349 19.97 22.3918 19.97 -37.1773 11.1609 22.3919 11.1609 13.4236 GPRESSAVG: 3675400 21.6028 21.7192 23.4878 18.1513 -37.1908 10.9806 20.0441 10.5591 13.6087 TIMING: 3675400 CPU: 11618.6, 0.00316909/step Wall: 11618.6, 0.00316909/step, 1.16605 hours remaining, 238.355469 MB of memory in use. ENERGY: 3675400 4006.2574 20523.2658 14359.9945 255.9908 -203442.6698 2656.2170 0.0000 0.0000 52101.9623 -109538.9820 299.4307 -161640.9443 -109178.5701 299.3577 -269.6655 -243.4240 762536.1517 -0.7062 -0.6598 PRESSURE: 3675600 334.586 9.82306 20.9278 9.82276 167.564 34.4766 20.9288 34.477 -220.842 GPRESSURE: 3675600 266.708 -14.8937 2.43283 47.1307 195.54 7.90846 58.9449 71.4628 -102.038 PRESSAVG: 3675600 -14.9757 -7.329 31.2699 -7.32899 35.6686 -16.2615 31.2699 -16.2615 11.1408 GPRESSAVG: 3675600 -17.1345 -9.36457 30.4365 -6.38313 37.4037 -14.3897 33.2885 -16.7281 11.6859 TIMING: 3675600 CPU: 11619.3, 0.00319923/step Wall: 11619.3, 0.00319923/step, 1.17696 hours remaining, 238.355469 MB of memory in use. ENERGY: 3675600 4090.6919 20720.5123 14363.4936 253.9725 -203290.9919 2625.4162 0.0000 0.0000 51695.7545 -109541.1510 297.0962 -161236.9055 -109204.3399 299.2525 93.7692 120.0703 760124.6112 10.6112 10.6517 PRESSURE: 3675800 -306.882 43.5677 -203.153 43.5671 74.8984 -26.734 -203.153 -26.7358 242.699 GPRESSURE: 3675800 -326.415 1.71566 -207.341 -24.5165 182.802 45.0873 -45.3062 -72.8615 245.888 PRESSAVG: 3675800 49.8663 -29.7618 10.8033 -29.7619 -41.3548 58.4461 10.8033 58.4461 -19.2774 GPRESSAVG: 3675800 50.5572 -30.3685 12.5022 -31.5566 -41.5139 59.0794 9.18383 59.3026 -19.7 TIMING: 3675800 CPU: 11619.9, 0.003186/step Wall: 11619.9, 0.003186/step, 1.17192 hours remaining, 238.355469 MB of memory in use. ENERGY: 3675800 3999.7243 20522.2809 14373.3151 216.3985 -203288.1390 2476.3158 0.0000 0.0000 52161.6685 -109538.4360 299.7738 -161700.1044 -109180.0991 298.7346 3.5718 34.0913 761666.4039 -3.5886 -3.5522 PRESSURE: 3676000 332.016 -92.8578 -34.5589 -92.8576 255.923 20.1753 -34.5598 20.1755 -98.9618 GPRESSURE: 3676000 334.59 -105.17 -93.9287 -32.8152 286.907 -73.4137 -15.3927 -3.1935 -41.8045 PRESSAVG: 3676000 22.5285 5.51935 -20.2606 5.51939 -13.1486 3.86135 -20.2606 3.86136 3.10774 GPRESSAVG: 3676000 21.9029 8.34277 -20.8909 5.72809 -14.4313 2.18514 -19.6455 2.45216 5.09566 TIMING: 3676000 CPU: 11620.5, 0.00317485/step Wall: 11620.5, 0.00317485/step, 1.16764 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3676000 3971.4996 20583.5796 14372.2760 216.7892 -203749.3983 2930.3925 0.0000 0.0000 52082.7347 -109592.1267 299.3202 -161674.8614 -109235.5338 298.8669 162.9926 193.2309 760594.8667 4.1625 4.1891 PRESSURE: 3676200 125.36 71.1778 -64.8585 71.1768 78.5256 -11.8753 -64.8576 -11.876 398.703 GPRESSURE: 3676200 178.077 -28.2525 -27.5918 37.3324 127.645 -106.894 -187.781 -48.9447 407.155 PRESSAVG: 3676200 -4.55241 15.6384 85.9339 15.6384 0.972618 -36.7039 85.9338 -36.704 16.3772 GPRESSAVG: 3676200 -4.56581 15.734 86.5137 16.5577 1.54245 -35.7375 85.7396 -36.4725 15.3895 TIMING: 3676200 CPU: 11621.2, 0.00318126/step Wall: 11621.2, 0.00318125/step, 1.16982 hours remaining, 238.355469 MB of memory in use. ENERGY: 3676200 3953.6545 20347.3022 14332.1465 243.8839 -203371.9156 2757.5849 0.0000 0.0000 52202.6470 -109534.6966 300.0093 -161737.3437 -109158.5513 299.2579 200.8630 237.6255 760540.1308 4.2658 4.1221 LDB: ============= START OF LOAD BALANCING ============== 11633.6 LDB: ============== END OF LOAD BALANCING =============== 11633.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11633.6 LDB: ============= START OF LOAD BALANCING ============== 11633.9 LDB: Largest compute 7047 load 0.031780 is 16.2% of average load 0.196109 LDB: Average compute 0.004425 is 2.3% of average load 0.196109 LDB: TIME 11633.9 LOAD: AVG 0.196109 MAX 0.214951 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 11633.9 LOAD: AVG 0.196109 MAX 0.214951 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 11633.9 LOAD: AVG 0.196109 MAX 0.214951 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 11633.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11633.9 PRESSURE: 3676400 -39.587 93.5978 -136.917 93.598 -116.066 -142.756 -136.919 -142.757 274.86 GPRESSURE: 3676400 -15.0104 22.6498 -100.811 15.5234 -140.442 -136.503 -30.2893 -148.385 364.255 PRESSAVG: 3676400 23.0378 -0.88695 70.3202 -0.886933 21.2728 -52.9887 70.3202 -52.9887 -13.6439 GPRESSAVG: 3676400 23.5844 0.821354 69.2094 -0.794917 20.7054 -54.5732 69.9463 -51.0159 -13.7608 TIMING: 3676400 CPU: 11621.8, 0.0032569/step Wall: 11621.8, 0.0032569/step, 1.19746 hours remaining, 238.980469 MB of memory in use. ENERGY: 3676400 3953.7532 20610.7683 14371.9512 242.6960 -203585.5460 2836.8261 0.0000 0.0000 52055.5568 -109513.9944 299.1640 -161569.5512 -109146.3663 299.3270 39.7356 69.6010 760600.5468 10.2222 10.1763 PRESSURE: 3676600 11.6578 -102.22 72.6409 -102.219 255.659 66.2468 72.6409 66.2472 336.111 GPRESSURE: 3676600 134.449 -104.689 59.0823 -149.47 207.537 68.5377 65.1337 61.373 339.419 PRESSAVG: 3676600 39.5132 -11.4353 34.7414 -11.4353 -87.0317 -2.59353 34.7414 -2.59349 -23.3197 GPRESSAVG: 3676600 39.9223 -13.3899 35.5701 -12.4617 -86.9345 -2.30733 32.6757 -4.59039 -23.4358 TIMING: 3676600 CPU: 11622.5, 0.0031696/step Wall: 11622.5, 0.0031696/step, 1.16518 hours remaining, 239.183594 MB of memory in use. ENERGY: 3676600 4004.5509 20486.9686 14352.2710 247.9052 -203789.3912 3022.8428 0.0000 0.0000 51987.4245 -109687.4281 298.7724 -161674.8526 -109327.8187 299.5588 201.1425 227.1351 760535.0931 -23.6127 -23.4826 PRESSURE: 3676800 -249.068 -20.9107 23.9143 -20.9108 -289.407 -63.638 23.9131 -63.6384 -180.911 GPRESSURE: 3676800 -225.033 -75.5425 -25.2677 -96.0853 -235.202 -19.1606 53.6571 -111.325 -172.305 PRESSAVG: 3676800 17.8278 40.5176 34.7741 40.5176 44.7945 43.6975 34.7741 43.6974 6.76327 GPRESSAVG: 3676800 17.2601 41.0286 34.566 38.9519 46.3398 45.7378 35.9575 44.3468 5.87244 TIMING: 3676800 CPU: 11623.1, 0.00316142/step Wall: 11623.1, 0.00316142/step, 1.162 hours remaining, 239.183594 MB of memory in use. ENERGY: 3676800 4004.7590 20695.5659 14365.4922 235.9142 -203415.9336 2509.3010 0.0000 0.0000 51959.3318 -109645.5696 298.6110 -161604.9014 -109277.1377 299.0460 -239.7952 -210.8468 761512.6768 23.1285 23.1574 PRESSURE: 3677000 151.47 -102.656 -131.548 -102.656 174.406 81.5405 -131.547 81.5398 650.344 GPRESSURE: 3677000 188.856 -65.9595 -100.932 -30.9832 195.407 6.0128 -91.7363 28.8061 693.987 PRESSAVG: 3677000 41.4557 -13.1391 42.3087 -13.1391 -11.6683 -17.5394 42.3088 -17.5395 -12.2769 GPRESSAVG: 3677000 42.0867 -13.4909 44.1745 -10.3489 -13.792 -17.5073 40.9678 -18.7444 -11.0608 TIMING: 3677000 CPU: 11623.7, 0.00319867/step Wall: 11623.7, 0.00319867/step, 1.17551 hours remaining, 239.183594 MB of memory in use. ENERGY: 3677000 3992.0529 20507.4992 14331.6905 244.9100 -203256.6191 2743.1529 0.0000 0.0000 51837.6078 -109599.7058 297.9114 -161437.3137 -109237.4428 299.0219 325.4066 359.4166 762024.6519 5.8368 5.7446 PRESSURE: 3677200 -47.353 149.785 -72.3576 149.785 253.655 -113.45 -72.3577 -113.45 216.019 GPRESSURE: 3677200 69.6656 5.50968 -129.078 -9.16866 200.805 -65.8951 21.4716 -189.086 246.775 PRESSAVG: 3677200 -14.0232 31.1993 60.8172 31.1993 64.2048 8.52175 60.8171 8.52175 34.0397 GPRESSAVG: 3677200 -14.4361 30.9952 57.3336 29.7255 65.4918 6.67052 64.6041 8.98707 33.3905 TIMING: 3677200 CPU: 11624.4, 0.0031944/step Wall: 11624.4, 0.0031944/step, 1.17376 hours remaining, 239.183594 MB of memory in use. ENERGY: 3677200 3969.9106 20426.6147 14461.4123 258.0841 -203353.0916 2563.8963 0.0000 0.0000 52122.0899 -109551.0837 299.5464 -161673.1736 -109192.6247 299.2013 140.7737 172.4150 759125.8571 28.0737 28.1487 PRESSURE: 3677400 -2.98403 -265.35 -304.934 -265.349 -297.981 -97.4364 -304.934 -97.4367 97.2391 GPRESSURE: 3677400 43.571 -252.923 -266.494 -243.514 -253.837 -18.5511 -207.294 -133.643 100.779 PRESSAVG: 3677400 -6.44859 32.3015 -22.1259 32.3015 8.00872 -11.2317 -22.126 -11.2317 21.0229 GPRESSAVG: 3677400 -5.74432 32.8684 -21.0192 32.9405 6.81256 -10.7547 -22.7368 -9.37857 21.2763 TIMING: 3677400 CPU: 11625, 0.00314262/step Wall: 11625, 0.00314262/step, 1.15456 hours remaining, 239.183594 MB of memory in use. ENERGY: 3677400 3944.6248 20481.8269 14421.5799 245.6698 -203114.7839 2602.5257 0.0000 0.0000 52081.8080 -109336.7488 299.3149 -161418.5568 -108978.9815 299.1806 -67.9085 -36.4957 762249.9212 7.5277 7.4482 PRESSURE: 3677600 126.725 216.554 -94.0573 216.554 183.272 -305.284 -94.0579 -305.285 222.445 GPRESSURE: 3677600 182.25 325.824 -121.798 168.053 204.514 -234.259 -99.6079 -417.441 244.464 PRESSAVG: 3677600 23.4677 -2.90609 -38.2831 -2.90606 -2.28375 -14.3241 -38.2831 -14.324 -2.44734 GPRESSAVG: 3677600 22.8008 -3.20561 -35.9999 -2.03307 -1.56871 -13.2178 -39.6678 -15.7411 -2.40188 TIMING: 3677600 CPU: 11625.6, 0.00314619/step Wall: 11625.6, 0.00314619/step, 1.1557 hours remaining, 239.183594 MB of memory in use. ENERGY: 3677600 3920.5940 20391.3681 14440.6610 237.5313 -203186.9483 2753.1857 0.0000 0.0000 51956.7478 -109486.8604 298.5961 -161443.6082 -109116.6487 298.9245 177.4810 210.4092 760797.2891 6.2455 6.2767 PRESSURE: 3677800 -127.963 113.891 129.554 113.892 46.781 145.982 129.555 145.982 12.1741 GPRESSURE: 3677800 -54.6402 111.239 44.0063 138.085 -5.3626 134.96 205.466 127.791 79.1401 PRESSAVG: 3677800 16.4604 11.7933 8.55119 11.7934 28.0603 63.5064 8.55118 63.5065 -5.41289 GPRESSAVG: 3677800 16.2027 13.2682 6.55945 10.7754 28.1696 62.0054 9.74752 61.0982 -4.87122 TIMING: 3677800 CPU: 11626.3, 0.00315986/step Wall: 11626.3, 0.00315986/step, 1.16055 hours remaining, 239.183594 MB of memory in use. ENERGY: 3677800 3931.2506 20558.0295 14451.5081 239.8168 -203222.8976 2561.5326 0.0000 0.0000 52231.3374 -109249.4227 300.1742 -161480.7600 -108880.7490 299.7888 -23.0025 6.3791 761425.7162 13.0360 13.1670 PRESSURE: 3678000 -61.39 21.2173 34.2609 21.218 -221.526 -132.539 34.2616 -132.538 145.74 GPRESSURE: 3678000 -34.2923 61.5513 88.3274 -7.5475 -207.856 -102.08 23.8026 -40.2989 173.325 PRESSAVG: 3678000 21.5045 -42.2107 20.3119 -42.2107 -16.1214 -18.6285 20.3119 -18.6285 -6.39912 GPRESSAVG: 3678000 21.2892 -44.5451 18.6163 -40.3568 -16.6621 -18.3703 19.9648 -14.526 -5.61572 TIMING: 3678000 CPU: 11626.9, 0.00321122/step Wall: 11626.9, 0.00321122/step, 1.17923 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3678000 3986.7152 20657.1445 14424.1173 247.2975 -203172.8803 2555.6762 0.0000 0.0000 52098.9413 -109202.9883 299.4133 -161301.9296 -108841.7095 299.8199 -45.7252 -22.9409 762406.8451 -0.3387 -0.3295 PRESSURE: 3678200 -525.064 -163.932 280.146 -163.932 -185.247 72.3305 280.146 72.3304 -27.4826 GPRESSURE: 3678200 -419.977 -232.968 201.747 -206.21 -136.226 86.7975 245.244 -8.71793 -85.082 PRESSAVG: 3678200 -83.482 -12.231 -8.74872 -12.2309 35.5052 -21.4466 -8.74867 -21.4466 16.8149 GPRESSAVG: 3678200 -83.7718 -11.7618 -8.60489 -12.8594 36.5085 -22.2301 -9.85939 -23.2161 16.4166 TIMING: 3678200 CPU: 11627.5, 0.00321019/step Wall: 11627.5, 0.00321019/step, 1.17868 hours remaining, 239.183594 MB of memory in use. ENERGY: 3678200 3965.0248 20746.7707 14407.9507 245.4680 -203241.9228 2530.4800 0.0000 0.0000 52083.6021 -109262.6265 299.3252 -161346.2287 -108898.9300 299.9698 -245.9312 -213.7614 762087.6301 -10.3873 -10.2823 PRESSURE: 3678400 -165.715 6.94694 24.3205 6.94679 -270.162 -10.807 24.3209 -10.8075 -203.538 GPRESSURE: 3678400 -138.952 22.6947 94.0714 90.4896 -213.207 -15.5268 -63.6453 93.3303 -201.163 PRESSAVG: 3678400 4.2605 0.812269 43.8399 0.81226 -6.72586 -4.61477 43.8399 -4.61477 -3.4552 GPRESSAVG: 3678400 4.6579 1.73249 45.4303 0.413158 -7.63746 -2.79542 44.1458 -5.82401 -2.69855 TIMING: 3678400 CPU: 11628.2, 0.0031976/step Wall: 11628.2, 0.0031976/step, 1.17387 hours remaining, 239.183594 MB of memory in use. ENERGY: 3678400 4018.2735 20601.5757 14363.9596 254.4234 -202808.4770 2232.9909 0.0000 0.0000 51933.7910 -109403.4629 298.4642 -161337.2539 -109049.3274 299.5541 -213.1384 -184.4404 762006.2050 -1.9735 -1.8927 PRESSURE: 3678600 -15.4549 -27.4847 2.24386 -27.4844 107.21 48.0497 2.24375 48.0496 258.435 GPRESSURE: 3678600 104.295 -16.2366 44.0638 69.7405 168.95 32.8505 -10.7958 89.3825 160.37 PRESSAVG: 3678600 7.08052 35.3827 -28.9163 35.3827 -1.5737 17.4252 -28.9164 17.4251 9.6455 GPRESSAVG: 3678600 8.0882 34.3565 -28.2153 34.6143 -1.52498 16.2151 -27.5044 19.342 8.74499 TIMING: 3678600 CPU: 11628.8, 0.00321107/step Wall: 11628.8, 0.00321107/step, 1.17864 hours remaining, 239.183594 MB of memory in use. ENERGY: 3678600 3924.0846 20369.7648 14404.0835 236.4014 -203262.9664 2593.7651 0.0000 0.0000 52390.2341 -109344.6329 301.0874 -161734.8670 -108985.0897 300.0129 116.7301 144.5383 757759.5147 5.0508 5.1027 PRESSURE: 3678800 -323.238 52.7419 173.142 52.7413 57.3295 -60.6551 173.143 -60.6547 -203.668 GPRESSURE: 3678800 -207.094 212.626 267.721 34.2579 93.6477 -117.765 144.238 -99.2467 -259.954 PRESSAVG: 3678800 1.14794 -2.09686 15.3891 -2.0969 12.7495 0.237267 15.3891 0.237286 -17.3033 GPRESSAVG: 3678800 0.49733 -0.996247 14.1241 -2.1615 13.1874 1.14987 14.0537 -0.279061 -16.8611 TIMING: 3678800 CPU: 11629.5, 0.00320697/step Wall: 11629.5, 0.00320697/step, 1.17696 hours remaining, 239.183594 MB of memory in use. ENERGY: 3678800 3933.0374 20699.5450 14428.6645 239.6870 -202992.5705 2203.4915 0.0000 0.0000 52082.4093 -109405.7358 299.3183 -161488.1452 -109036.7723 299.5600 -156.5256 -124.4666 758750.5959 -1.1353 -1.0588 PRESSURE: 3679000 -127.271 -4.41446 57.927 -4.41457 -281.012 449.105 57.9269 449.104 -72.0555 GPRESSURE: 3679000 -46.6953 -112.956 21.1357 -120.561 -267.344 487.238 93.7786 373.67 -75.4928 PRESSAVG: 3679000 -69.4117 7.69429 10.9924 7.69434 81.1234 17.7116 10.9924 17.7116 -6.11363 GPRESSAVG: 3679000 -69.6373 7.70688 10.3025 8.5029 80.5056 15.2875 11.2101 18.7114 -5.64605 TIMING: 3679000 CPU: 11630.1, 0.00317664/step Wall: 11630.1, 0.00317664/step, 1.16565 hours remaining, 239.183594 MB of memory in use. ENERGY: 3679000 3999.2102 20559.6809 14382.7638 245.9236 -203447.3119 2612.6971 0.0000 0.0000 52276.8473 -109370.1889 300.4358 -161647.0362 -109001.6348 299.9283 -160.1126 -129.8442 760479.2238 1.8660 1.7407 PRESSURE: 3679200 -41.6088 -87.1667 -53.2871 -87.1668 155.04 -95.8033 -53.2869 -95.8018 135.703 GPRESSURE: 3679200 77.1851 -29.2218 6.08829 -145.663 71.4476 -124.66 -136.762 -197.035 200.15 PRESSAVG: 3679200 -11.0329 -0.231088 -77.0386 -0.23108 57.8623 -7.34596 -77.0386 -7.34598 3.8074 GPRESSAVG: 3679200 -10.1798 -0.753156 -76.1098 -0.745734 57.8628 -6.81136 -77.5156 -8.5166 2.15708 TIMING: 3679200 CPU: 11630.7, 0.00317662/step Wall: 11630.7, 0.00317662/step, 1.16547 hours remaining, 239.183594 MB of memory in use. ENERGY: 3679200 3914.6903 20456.2273 14418.6458 265.2474 -203589.7631 2739.7208 0.0000 0.0000 52497.7554 -109297.4761 301.7053 -161795.2315 -108934.3790 299.7605 83.0448 116.2610 759738.2721 16.8789 16.6133 PRESSURE: 3679400 -127.638 -17.8798 14.2445 -17.8801 -143.306 -323.242 14.245 -323.241 -94.8121 GPRESSURE: 3679400 -170.392 -19.9877 -37.3588 58.6285 -42.7004 -346.704 74.1065 -115.874 -71.4391 PRESSAVG: 3679400 -40.1701 5.57072 -9.68209 5.57074 15.6165 -9.25853 -9.6821 -9.2585 -2.88544 GPRESSAVG: 3679400 -40.0681 6.03715 -9.44691 5.30891 15.8155 -7.96861 -9.07123 -9.11073 -3.19107 TIMING: 3679400 CPU: 11631.4, 0.00316059/step Wall: 11631.4, 0.00316059/step, 1.15941 hours remaining, 239.183594 MB of memory in use. ENERGY: 3679400 3975.8613 20502.7288 14433.8709 244.2516 -203068.2068 2312.9454 0.0000 0.0000 52269.9660 -109328.5827 300.3962 -161598.5487 -108966.3215 299.8012 -121.9187 -94.8439 762237.1852 -9.1463 -9.1479 PRESSURE: 3679600 241.337 54.3583 -38.5868 54.3566 26.2306 -81.1384 -38.5876 -81.139 38.4405 GPRESSURE: 3679600 190.628 61.8203 -94.6659 29.7409 178.796 -79.7757 -87.3121 47.0227 40.9669 PRESSAVG: 3679600 3.56521 -6.97432 18.5257 -6.97435 -14.5209 -2.65825 18.5257 -2.65832 24.5984 GPRESSAVG: 3679600 1.41662 -8.13547 16.8587 -5.61285 -14.218 -4.21841 19.4939 -3.23731 26.3324 TIMING: 3679600 CPU: 11632, 0.00316991/step Wall: 11632, 0.00316991/step, 1.16265 hours remaining, 239.183594 MB of memory in use. ENERGY: 3679600 3942.6860 20480.2109 14384.0567 242.8579 -203307.8546 2449.3959 0.0000 0.0000 52307.9138 -109500.7332 300.6143 -161808.6471 -109138.1843 299.9374 102.0026 136.7971 759270.2383 4.5476 4.5103 PRESSURE: 3679800 -85.9529 -124.159 49.2974 -124.159 139.144 287.773 49.2969 287.773 79.1635 GPRESSURE: 3679800 -14.9331 -150.256 -55.2159 -243.629 50.3954 247.245 -12.6594 152.839 164.666 PRESSAVG: 3679800 -14.6437 -40.9681 -17.4711 -40.9681 15.3594 11.5808 -17.4711 11.5807 5.12517 GPRESSAVG: 3679800 -14.0852 -40.2555 -16.9754 -40.9483 14.5014 10.8102 -19.6583 12.7914 4.43465 TIMING: 3679800 CPU: 11632.6, 0.00318792/step Wall: 11632.6, 0.00318792/step, 1.16908 hours remaining, 239.183594 MB of memory in use. ENERGY: 3679800 3963.7471 20584.8580 14402.1504 243.3374 -203686.7522 2823.4375 0.0000 0.0000 52055.9074 -109613.3144 299.1660 -161669.2218 -109254.1357 299.7788 44.1184 66.7096 761402.1664 1.9469 1.6170 PRESSURE: 3680000 305.742 27.8114 51.9291 27.8112 -220.585 -25.143 51.9292 -25.1416 206.343 GPRESSURE: 3680000 247.422 -60.1559 79.0386 70.5891 -78.8884 -89.0446 216.631 -55.618 216.914 PRESSAVG: 3680000 30.1343 -48.1061 -6.96916 -48.1062 6.68469 42.5866 -6.96922 42.5867 -10.9169 GPRESSAVG: 3680000 30.8527 -49.3598 -6.76923 -47.7176 6.22023 44.1992 -6.45972 41.0037 -10.642 TIMING: 3680000 CPU: 11633.3, 0.00316896/step Wall: 11633.3, 0.00316895/step, 1.16195 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3680000 3958.3959 20710.0946 14422.5531 240.3610 -203770.4393 2921.7681 0.0000 0.0000 51870.9012 -109646.3655 298.1028 -161517.2667 -109285.4501 298.7676 97.1666 128.4829 762186.0399 8.6340 8.8103 PRESSURE: 3680200 93.0163 -37.8272 31.2008 -37.8277 -35.3324 169.483 31.2011 169.483 -80.034 GPRESSURE: 3680200 75.9827 -13.6298 42.1122 80.991 32.2964 145.398 6.3274 93.9793 -32.3557 PRESSAVG: 3680200 21.0772 9.91958 28.428 9.91964 51.6687 -55.3237 28.4281 -55.3237 23.6654 GPRESSAVG: 3680200 20.4873 10.5902 29.228 8.77623 52.0693 -55.7548 29.7779 -55.7073 23.6166 TIMING: 3680200 CPU: 11633.9, 0.00316904/step Wall: 11633.9, 0.00316904/step, 1.1618 hours remaining, 239.183594 MB of memory in use. ENERGY: 3680200 3934.9166 20557.3425 14414.2972 242.4997 -203452.0782 2497.8928 0.0000 0.0000 51993.1107 -109812.0187 298.8051 -161805.1294 -109452.0572 298.9087 -7.4500 25.3078 761932.3739 32.1371 32.0577 LDB: ============= START OF LOAD BALANCING ============== 11646.3 LDB: ============== END OF LOAD BALANCING =============== 11646.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11646.3 LDB: ============= START OF LOAD BALANCING ============== 11646.6 LDB: Largest compute 7048 load 0.031190 is 15.9% of average load 0.195998 LDB: Average compute 0.004391 is 2.2% of average load 0.195998 LDB: TIME 11646.6 LOAD: AVG 0.195998 MAX 0.217009 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.461 MB LDB: TIME 11646.6 LOAD: AVG 0.195998 MAX 0.217009 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.664 MB LDB: TIME 11646.6 LOAD: AVG 0.195998 MAX 0.217009 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.664 MB LDB: ============== END OF LOAD BALANCING =============== 11646.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11646.6 PRESSURE: 3680400 97.6014 18.4107 -8.74856 18.4104 -25.0349 53.968 -8.7486 53.9686 102.49 GPRESSURE: 3680400 118.347 60.5123 -60.8882 -32.2193 -46.5576 94.0535 -81.5405 -29.8166 172.913 PRESSAVG: 3680400 -18.6596 -5.75043 -2.3679 -5.75037 26.0152 -20.4639 -2.36789 -20.4639 5.85706 GPRESSAVG: 3680400 -19.569 -5.02471 -3.20429 -6.23478 26.7952 -20.1398 -2.49577 -21.1552 5.52703 TIMING: 3680400 CPU: 11634.6, 0.00327568/step Wall: 11634.6, 0.00327568/step, 1.20072 hours remaining, 239.039062 MB of memory in use. ENERGY: 3680400 3926.1265 20589.8381 14438.2262 240.2826 -203415.4263 2528.1497 0.0000 0.0000 52008.8059 -109683.9973 298.8953 -161692.8032 -109328.1296 298.6252 58.3521 81.5677 762607.5465 4.4042 4.2511 PRESSURE: 3680600 -291.121 27.8328 -134.74 27.8336 -288.133 -62.2612 -134.74 -62.2607 -384.898 GPRESSURE: 3680600 -253.289 -23.7352 -200.975 120.902 -204.544 22.0239 8.67543 0.185657 -435.422 PRESSAVG: 3680600 30.7149 -0.757491 22.8123 -0.757418 -33.5608 -40.4714 22.8123 -40.4713 8.33436 GPRESSAVG: 3680600 31.4814 -1.18449 23.6816 1.26737 -33.1876 -42.0724 21.1187 -39.3979 7.91438 TIMING: 3680600 CPU: 11635.2, 0.00320719/step Wall: 11635.2, 0.00320719/step, 1.17543 hours remaining, 239.039062 MB of memory in use. ENERGY: 3680600 3978.2394 20543.4145 14367.5488 256.7134 -203565.3188 2504.9090 0.0000 0.0000 52196.2209 -109718.2728 299.9724 -161914.4936 -109352.7912 299.2005 -321.3839 -297.7515 761382.5322 1.8295 2.0694 PRESSURE: 3680800 -116.125 33.5127 70.9952 33.5125 -471.346 92.7362 70.9951 92.7356 -268.392 GPRESSURE: 3680800 -113.936 -72.7615 131.172 25.9363 -512.26 51.1717 194.758 83.3421 -147.601 PRESSAVG: 3680800 63.3401 24.1621 -29.4636 24.1621 -41.3399 4.68095 -29.4636 4.68093 -12.6796 GPRESSAVG: 3680800 63.5603 23.3525 -28.0689 24.3777 -43.1357 5.56447 -28.337 5.62707 -11.3895 TIMING: 3680800 CPU: 11635.8, 0.00321255/step Wall: 11635.8, 0.00321255/step, 1.17722 hours remaining, 239.039062 MB of memory in use. ENERGY: 3680800 4007.3564 20510.5080 14359.6002 233.9458 -203070.3081 2356.6547 0.0000 0.0000 52211.0255 -109391.2175 300.0575 -161602.2430 -109027.5750 299.4342 -285.2874 -257.9323 762402.5016 3.1068 3.0117 PRESSURE: 3681000 157.909 94.6404 270.892 94.6408 -89.9936 -184.564 270.892 -184.563 -11.6468 GPRESSURE: 3681000 160.895 74.6229 225.058 169.077 -24.2508 -206.765 152.989 17.2009 19.6734 PRESSAVG: 3681000 4.63089 -28.4102 -30.5033 -28.4101 -5.41838 -15.7906 -30.5034 -15.7905 17.9746 GPRESSAVG: 3681000 5.11204 -28.5382 -31.9373 -29.6695 -4.77565 -17.1947 -31.7232 -16.9175 16.859 TIMING: 3681000 CPU: 11636.5, 0.00320353/step Wall: 11636.5, 0.00320353/step, 1.17374 hours remaining, 239.039062 MB of memory in use. ENERGY: 3681000 3961.3350 20515.7942 14430.1646 251.2404 -203164.4577 2556.6121 0.0000 0.0000 51890.2509 -109559.0604 298.2140 -161449.3114 -109198.3359 299.4549 18.7561 52.1059 762763.9667 5.7290 5.7318 PRESSURE: 3681200 -5.9149 82.5475 205.495 82.5469 86.5109 170.593 205.495 170.594 -82.7019 GPRESSURE: 3681200 51.7694 24.9387 123.851 97.5816 42.6667 256.104 134.272 202.147 -10.2153 PRESSAVG: 3681200 35.8009 -1.03221 -20.628 -1.03224 -22.8812 24.4645 -20.6279 24.4646 21.3179 GPRESSAVG: 3681200 36.2484 -0.368366 -20.8858 0.519105 -22.9833 27.4547 -17.4153 25.2067 21.3608 TIMING: 3681200 CPU: 11637.1, 0.00317707/step Wall: 11637.1, 0.00317707/step, 1.16387 hours remaining, 239.039062 MB of memory in use. ENERGY: 3681200 4011.0882 20442.6541 14447.0117 265.7108 -202928.5687 2302.8301 0.0000 0.0000 51767.1810 -109692.0928 297.5067 -161459.2738 -109328.0342 298.8728 -0.7020 28.0736 761525.3220 11.4125 11.5420 PRESSURE: 3681400 -47.787 17.8207 92.5757 17.8214 -37.3175 8.75038 92.5755 8.74949 294.489 GPRESSURE: 3681400 -93.3041 15.0099 147.689 85.3815 37.6285 51.1575 137.692 -46.8328 328.295 PRESSAVG: 3681400 16.6713 -22.4716 -17.2256 -22.4717 21.9106 -8.70316 -17.2256 -8.70317 -7.97572 GPRESSAVG: 3681400 15.2306 -22.9472 -15.1175 -22.7243 22.34 -9.8848 -18.1272 -9.94033 -7.3036 TIMING: 3681400 CPU: 11637.7, 0.00315476/step Wall: 11637.7, 0.00315476/step, 1.15552 hours remaining, 239.039062 MB of memory in use. ENERGY: 3681400 3967.6007 20682.7736 14341.1884 258.1366 -202951.1539 2333.7191 0.0000 0.0000 51953.5926 -109414.1430 298.5780 -161367.7356 -109053.3731 299.0758 69.7949 90.8731 760648.6644 10.2021 10.0890 PRESSURE: 3681600 135.646 228.307 -66.2825 228.307 24.939 -58.3181 -66.2833 -58.3171 -315.978 GPRESSURE: 3681600 181.945 219.705 -137.004 261.782 26.8066 -40.6732 62.8898 -171.615 -287.251 PRESSAVG: 3681600 9.98506 20.9332 1.43649 20.9332 6.08554 -18.5515 1.43647 -18.5515 -10.7854 GPRESSAVG: 3681600 9.51114 23.3843 0.711473 19.9576 6.34608 -16.9328 -0.422857 -18.2621 -10.7139 TIMING: 3681600 CPU: 11638.4, 0.00317149/step Wall: 11638.4, 0.00317149/step, 1.16147 hours remaining, 239.039062 MB of memory in use. ENERGY: 3681600 4049.3522 20666.0270 14359.1089 259.2056 -203428.0976 2570.8272 0.0000 0.0000 52439.5330 -109084.0436 301.3707 -161523.5766 -108716.3186 300.0662 -51.7978 -26.1665 761373.3854 1.7617 1.7144 PRESSURE: 3681800 232.496 -15.6954 -371.876 -15.6959 -220.605 18.8246 -371.875 18.8248 197.222 GPRESSURE: 3681800 268.4 -17.3683 -326.239 25.4479 -195.994 -18.3072 -293.055 129.878 225.182 PRESSAVG: 3681800 28.4083 -2.26841 2.35006 -2.26847 11.5111 59.4316 2.35005 59.4315 -3.54165 GPRESSAVG: 3681800 29.8841 -4.90667 2.0018 -2.55781 9.62945 56.275 4.56703 61.6925 -2.88433 TIMING: 3681800 CPU: 11639, 0.00316607/step Wall: 11639, 0.00316607/step, 1.15931 hours remaining, 239.039062 MB of memory in use. ENERGY: 3681800 3935.1699 20718.5520 14387.3440 236.8761 -202802.5496 2495.7561 0.0000 0.0000 51882.4551 -109146.3963 298.1692 -161028.8515 -108792.4762 299.9321 69.7043 99.1961 761725.2983 12.1259 12.2098 PRESSURE: 3682000 -326.488 22.3994 -13.2519 22.3995 -280.295 61.0483 -13.2525 61.0481 -133.887 GPRESSURE: 3682000 -292.606 -57.9877 -78.6883 -72.0647 -221.821 100.924 20.7119 91.4303 -136.69 PRESSAVG: 3682000 50.5089 -21.3245 -42.5669 -21.3246 -4.83096 -4.5608 -42.5669 -4.56072 13.0183 GPRESSAVG: 3682000 48.9232 -20.0651 -42.5949 -21.6537 -3.00091 -3.01097 -42.2132 -5.11239 12.5869 TIMING: 3682000 CPU: 11639.7, 0.00319435/step Wall: 11639.7, 0.00319435/step, 1.16949 hours remaining, 239.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3682000 3984.4896 20488.3906 14460.4624 249.8962 -203148.4789 2723.3840 0.0000 0.0000 52160.1603 -109081.6958 299.7652 -161241.8562 -108710.8719 299.9813 -246.8899 -217.0389 762173.0808 19.5654 19.5031 PRESSURE: 3682200 -153.137 40.6499 -26.2889 40.6501 -128.705 -65.0156 -26.2887 -65.0162 50.7279 GPRESSURE: 3682200 -131.393 -31.8531 -83.3595 5.28855 -89.9592 -43.9401 -35.5035 -133.97 69.4864 PRESSAVG: 3682200 32.8256 -4.56105 -38.5128 -4.56103 -71.289 16.8716 -38.5129 16.8716 -5.08459 GPRESSAVG: 3682200 33.5813 -8.28687 -38.6931 -4.03149 -72.0207 17.3006 -40.5814 16.2395 -4.79921 TIMING: 3682200 CPU: 11640.3, 0.00319677/step Wall: 11640.3, 0.00319677/step, 1.1702 hours remaining, 239.039062 MB of memory in use. ENERGY: 3682200 3979.6809 20542.1851 14402.3496 248.9826 -202845.3448 2381.0059 0.0000 0.0000 52167.7075 -109123.4331 299.8085 -161291.1406 -108763.8857 299.6829 -77.0382 -50.6220 762822.6679 -14.5160 -14.4129 PRESSURE: 3682400 -71.1031 -18.9161 100.971 -18.9159 133.013 13.2365 100.971 13.2359 148.94 GPRESSURE: 3682400 -102.647 -23.9656 5.81495 -61.0367 187.686 -20.2626 175.82 57.6743 202.117 PRESSAVG: 3682400 34.1347 38.9495 -5.9792 38.9494 -20.9217 -34.6898 -5.97923 -34.6897 0.726884 GPRESSAVG: 3682400 33.7508 41.3749 -7.56667 38.8892 -20.0687 -35.9197 -5.14349 -32.4801 -0.221241 TIMING: 3682400 CPU: 11640.9, 0.00317665/step Wall: 11640.9, 0.00317665/step, 1.16265 hours remaining, 239.039062 MB of memory in use. ENERGY: 3682400 4017.2215 20542.7585 14417.5061 248.5691 -202738.9956 2281.4137 0.0000 0.0000 52060.2099 -109171.3168 299.1907 -161231.5267 -108804.6801 300.1707 70.2834 95.7185 761521.9386 4.6466 4.4869 PRESSURE: 3682600 -71.3643 -50.3465 -63.0612 -50.3464 -278.028 22.4955 -63.0618 22.4947 -481.022 GPRESSURE: 3682600 -119.536 3.99488 -55.0469 45.1893 -210.301 -4.22353 -133.378 5.35728 -409.297 PRESSAVG: 3682600 1.88506 43.6447 37.9815 43.6448 -36.8981 15.2949 37.9815 15.295 -25.868 GPRESSAVG: 3682600 1.6911 45.0185 38.1042 44.371 -36.6946 16.4228 38.4899 13.9177 -26.507 TIMING: 3682600 CPU: 11641.6, 0.00317881/step Wall: 11641.6, 0.00317881/step, 1.16327 hours remaining, 239.039062 MB of memory in use. ENERGY: 3682600 3990.8288 20351.0728 14414.9465 240.4006 -202843.9876 2372.1486 0.0000 0.0000 52247.3287 -109227.2616 300.2661 -161474.5903 -108853.5537 299.5194 -276.8048 -246.3782 761896.6454 -20.2937 -20.5035 PRESSURE: 3682800 -115.283 -255.819 -178.4 -255.819 68.3758 -106.333 -178.401 -106.333 33.4249 GPRESSURE: 3682800 -39.4259 -253.134 -194.653 -201.119 28.9827 -83.7816 -59.0313 -84.5397 92.3857 PRESSAVG: 3682800 -8.22571 41.7537 7.46233 41.7537 -0.787029 16.1491 7.46236 16.1491 21.1989 GPRESSAVG: 3682800 -8.45153 40.408 8.61853 40.9913 -2.17568 15.205 5.06452 16.8563 22.5777 TIMING: 3682800 CPU: 11642.2, 0.00316609/step Wall: 11642.2, 0.00316609/step, 1.15844 hours remaining, 239.039062 MB of memory in use. ENERGY: 3682800 3973.1317 20532.4424 14386.1109 242.2397 -203279.9605 2610.5082 0.0000 0.0000 52241.0351 -109294.4926 300.2299 -161535.5276 -108939.1834 299.8574 -4.4942 27.3142 762491.5085 4.0620 3.9835 PRESSURE: 3683000 -57.2216 -58.3882 13.3598 -58.3884 -107.733 91.7249 13.3588 91.7248 -135.774 GPRESSURE: 3683000 -45.7336 -13.2134 55.0763 25.8605 -26.0752 108.054 -51.9427 47.2456 -149.726 PRESSAVG: 3683000 38.9461 -22.5313 -10.0187 -22.5312 -23.035 -37.3141 -10.0187 -37.3141 11.0513 GPRESSAVG: 3683000 38.3531 -21.3718 -11.3793 -22.5177 -22.9418 -36.5831 -8.62222 -40.7473 11.4639 TIMING: 3683000 CPU: 11642.8, 0.00314983/step Wall: 11642.8, 0.00314983/step, 1.15231 hours remaining, 239.039062 MB of memory in use. ENERGY: 3683000 4060.0543 20466.2990 14390.5311 233.3828 -203283.4685 2523.6989 0.0000 0.0000 52199.9541 -109409.5484 299.9939 -161609.5025 -109058.6253 299.3254 -100.2430 -73.8451 760202.6544 8.9875 8.9584 PRESSURE: 3683200 -421.623 12.0612 160.587 12.0609 57.8818 -51.3764 160.587 -51.3749 -143.719 GPRESSURE: 3683200 -316.079 78.7195 60.5274 19.5323 -14.6025 47.994 125.721 -72.2512 -114.079 PRESSAVG: 3683200 12.249 -14.9674 -96.3698 -14.9674 -11.1185 -25.886 -96.3698 -25.886 14.956 GPRESSAVG: 3683200 12.6677 -13.6955 -96.3104 -17.2723 -10.8229 -25.397 -97.8766 -24.3069 14.2064 TIMING: 3683200 CPU: 11643.5, 0.00319335/step Wall: 11643.5, 0.00319335/step, 1.16806 hours remaining, 239.039062 MB of memory in use. ENERGY: 3683200 4123.6476 20495.2425 14403.1339 231.8960 -203288.7956 2434.9251 0.0000 0.0000 51968.3812 -109631.5694 298.6630 -161599.9506 -109274.2891 299.6229 -169.1535 -148.2536 759929.2203 5.3622 5.3504 PRESSURE: 3683400 -258.28 12.9366 150.659 12.9366 269.646 -82.7865 150.66 -82.7862 -0.41234 GPRESSURE: 3683400 -241.388 -40.4828 234.753 14.088 306.609 50.874 118.217 -50.9414 22.9064 PRESSAVG: 3683400 -23.7587 27.8345 6.4392 27.8344 -1.64895 -9.62755 6.43915 -9.62746 15.4532 GPRESSAVG: 3683400 -23.1411 25.5934 7.09248 28.7987 -1.77922 -10.3291 7.93762 -7.71573 14.5119 TIMING: 3683400 CPU: 11644.1, 0.0031798/step Wall: 11644.1, 0.0031798/step, 1.16292 hours remaining, 239.039062 MB of memory in use. ENERGY: 3683400 3954.3644 20424.5172 14436.4654 259.1267 -202679.3788 2261.4299 0.0000 0.0000 51866.0107 -109477.4645 298.0747 -161343.4752 -109116.5905 299.3381 3.6510 29.3759 761170.0049 -3.3181 -3.4695 PRESSURE: 3683600 416.564 17.2366 -48.8854 17.2368 -95.186 -170.409 -48.8873 -170.409 163.334 GPRESSURE: 3683600 439.713 98.2713 -30.6296 -155.241 0.793697 -47.0003 -63.5086 -180.687 146.678 PRESSAVG: 3683600 35.7929 -14.9968 -9.09114 -14.9968 -13.4357 7.6934 -9.09109 7.69346 -24.4994 GPRESSAVG: 3683600 35.0036 -15.1838 -8.88428 -14.7592 -12.9919 8.63637 -10.1729 7.02461 -24.0193 TIMING: 3683600 CPU: 11644.7, 0.0031658/step Wall: 11644.7, 0.00316579/step, 1.15763 hours remaining, 239.039062 MB of memory in use. ENERGY: 3683600 4038.1129 20548.2416 14346.4534 245.1441 -203667.7929 2889.1384 0.0000 0.0000 52151.3895 -109449.3130 299.7148 -161600.7025 -109082.8604 299.3814 161.5705 195.7283 759565.3669 -0.7141 -0.6692 PRESSURE: 3683800 -42.8166 11.8378 -91.5131 11.8361 -511.804 -295.388 -91.5132 -295.388 214.356 GPRESSURE: 3683800 -25.7647 -45.6068 -111.52 70.4853 -447.559 -310.54 -113.077 -144.171 212.32 PRESSAVG: 3683800 68.8902 -4.34066 29.8648 -4.34076 -33.5148 5.23194 29.8648 5.23184 -7.75644 GPRESSAVG: 3683800 67.9407 -3.44686 31.8479 -4.83001 -33.448 3.49834 29.4083 7.452 -7.43832 TIMING: 3683800 CPU: 11645.4, 0.00318228/step Wall: 11645.4, 0.00318228/step, 1.16348 hours remaining, 239.039062 MB of memory in use. ENERGY: 3683800 4009.2953 20650.8818 14404.6358 249.1116 -202695.9646 2180.6978 0.0000 0.0000 51909.3257 -109292.0166 298.3236 -161201.3422 -108930.0122 299.4943 -113.4213 -87.0010 762299.1259 9.2063 9.0181 PRESSURE: 3684000 54.1245 25.9951 -119.081 25.9952 146.572 120.574 -119.081 120.575 545.643 GPRESSURE: 3684000 103.261 -83.959 -111.315 -62.7006 187.912 99.6145 -111.727 117.712 544.613 PRESSAVG: 3684000 53.8781 55.0145 -16.3055 55.0145 -63.0861 -29.0527 -16.3055 -29.0526 -5.21822 GPRESSAVG: 3684000 54.3234 54.9887 -17.3187 55.7357 -63.3915 -29.2863 -16.605 -31.1639 -5.73412 TIMING: 3684000 CPU: 11646, 0.00316949/step Wall: 11646, 0.00316949/step, 1.15862 hours remaining, 239.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3684000 3969.2277 20512.9102 14425.3166 263.9880 -202989.1522 2541.7177 0.0000 0.0000 51998.2788 -109277.7132 298.8348 -161275.9920 -108926.1552 299.3776 248.7798 278.5955 761143.6718 -4.8088 -4.9341 PRESSURE: 3684200 44.2801 -264.022 -172.549 -264.022 -284.337 -244.88 -172.549 -244.88 70.6295 GPRESSURE: 3684200 56.9232 -196.955 -79.0212 -179.259 -209.167 -225.841 -149.807 -108.473 63.0294 PRESSAVG: 3684200 29.0479 -5.42477 35.5727 -5.42479 -34.3021 -25.4348 35.5728 -25.4348 33.4487 GPRESSAVG: 3684200 29.1161 -5.62528 35.6462 -5.44885 -34.1952 -24.6526 37.6169 -25.4543 32.9354 TIMING: 3684200 CPU: 11646.6, 0.00316906/step Wall: 11646.6, 0.00316906/step, 1.15829 hours remaining, 239.039062 MB of memory in use. ENERGY: 3684200 4023.3248 20371.8316 14426.2657 244.9071 -202926.8619 2356.6388 0.0000 0.0000 52189.6921 -109314.2017 299.9349 -161503.8938 -108952.3064 299.8695 -56.4759 -29.7380 759817.9469 9.3982 9.2854 LDB: ============= START OF LOAD BALANCING ============== 11659 LDB: ============== END OF LOAD BALANCING =============== 11659 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11659 LDB: ============= START OF LOAD BALANCING ============== 11659.4 LDB: Largest compute 7025 load 0.032045 is 16.3% of average load 0.196092 LDB: Average compute 0.004409 is 2.2% of average load 0.196092 LDB: TIME 11659.4 LOAD: AVG 0.196092 MAX 0.218239 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.871 MB LDB: TIME 11659.4 LOAD: AVG 0.196092 MAX 0.218239 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.871 MB LDB: TIME 11659.4 LOAD: AVG 0.196092 MAX 0.218239 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.871 MB LDB: ============== END OF LOAD BALANCING =============== 11659.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11659.4 PRESSURE: 3684400 129.566 147.243 159.271 147.243 92.9071 80.2384 159.271 80.2386 159.467 GPRESSURE: 3684400 85.8584 263.753 185.933 -0.38328 152.596 51.5991 51.5438 59.174 217.419 PRESSAVG: 3684400 12.1343 28.8594 13.4708 28.8594 10.5109 4.61357 13.4707 4.61361 -12.8477 GPRESSAVG: 3684400 12.2799 28.4495 12.1626 28.8422 9.54858 5.48583 13.5394 5.74029 -11.6273 TIMING: 3684400 CPU: 11647.3, 0.00325799/step Wall: 11647.3, 0.00325799/step, 1.19061 hours remaining, 239.445312 MB of memory in use. ENERGY: 3684400 3961.0263 20665.9457 14373.5158 255.7207 -203375.8320 2621.9537 0.0000 0.0000 52314.0963 -109183.5737 300.6498 -161497.6700 -108826.3456 300.1187 127.3133 151.9577 759887.4588 3.2658 3.4004 PRESSURE: 3684600 175.603 -67.0572 -68.8831 -67.0575 114.963 139.804 -68.8828 139.802 513.238 GPRESSURE: 3684600 93.2845 -88.3934 4.08187 -10.1842 256.108 31.2134 -75.4957 192.365 542.259 PRESSAVG: 3684600 -48.6485 -9.15763 33.7574 -9.15766 -7.14837 -18.5637 33.7574 -18.5638 20.399 GPRESSAVG: 3684600 -48.6284 -9.96436 32.7743 -10.4554 -6.5118 -17.2876 32.1429 -20.8449 19.6682 TIMING: 3684600 CPU: 11647.9, 0.00320987/step Wall: 11647.9, 0.00320987/step, 1.17285 hours remaining, 239.445312 MB of memory in use. ENERGY: 3684600 3960.9550 20513.4587 14483.9325 233.2062 -203702.3625 2896.5153 0.0000 0.0000 52328.9731 -109285.3217 300.7353 -161614.2948 -108920.0414 300.5069 267.9345 297.2172 759984.0042 -11.7993 -11.8240 PRESSURE: 3684800 -95.6651 -180.268 -92.6477 -180.268 60.2819 -295.901 -92.6477 -295.901 -243.652 GPRESSURE: 3684800 -129.905 -111.827 -82.6886 -255.793 -0.0492603 -341.154 14.088 -236.57 -81.9422 PRESSAVG: 3684800 49.2276 21.5991 -46.727 21.5991 6.65611 -13.9901 -46.7269 -13.9901 9.96399 GPRESSAVG: 3684800 48.8975 23.7834 -45.8923 21.9166 7.32896 -14.4776 -43.2612 -13.2881 9.96462 TIMING: 3684800 CPU: 11648.6, 0.00319819/step Wall: 11648.6, 0.00319819/step, 1.16841 hours remaining, 239.445312 MB of memory in use. ENERGY: 3684800 3951.9920 20528.7330 14457.4460 241.9481 -203188.0352 2538.5272 0.0000 0.0000 52005.6146 -109463.7743 298.8770 -161469.3889 -109102.7354 299.8725 -93.0117 -70.6321 760762.0161 21.9492 22.0637 PRESSURE: 3685000 -169.461 -113.334 -250.03 -113.333 -323.222 -178.83 -250.03 -178.83 21.5031 GPRESSURE: 3685000 -57.6332 -89.613 -241.145 -154.222 -369.792 -199.058 -172.262 -75.9733 60.0101 PRESSAVG: 3685000 -52.8627 22.3847 -63.0578 22.3847 44.1257 34.8048 -63.0578 34.8048 -18.9797 GPRESSAVG: 3685000 -51.9023 21.1535 -62.8944 23.7042 42.654 33.6433 -65.1564 33.3998 -18.4213 TIMING: 3685000 CPU: 11649.2, 0.00317684/step Wall: 11649.2, 0.00317684/step, 1.16043 hours remaining, 239.445312 MB of memory in use. ENERGY: 3685000 3956.3298 20535.2789 14472.9933 238.8602 -203354.8601 2546.4242 0.0000 0.0000 52233.2589 -109371.7148 300.1853 -161604.9737 -109004.2695 299.7851 -157.0600 -122.4718 761706.5195 -9.2389 -9.2232 PRESSURE: 3685200 -149.495 -118.132 -124.842 -118.132 233.038 61.7014 -124.842 61.7009 -160.314 GPRESSURE: 3685200 -66.1344 -29.9867 -214.046 -156.829 194.364 8.22499 -17.7535 20.1993 -121.959 PRESSAVG: 3685200 4.31144 -36.1956 -48.9986 -36.1956 10.0594 22.7611 -48.9986 22.7611 -8.33026 GPRESSAVG: 3685200 4.66494 -37.1244 -48.7331 -36.3934 10.528 21.0556 -48.6537 22.9092 -8.33838 TIMING: 3685200 CPU: 11649.8, 0.00314465/step Wall: 11649.8, 0.00314465/step, 1.1485 hours remaining, 239.445312 MB of memory in use. ENERGY: 3685200 4017.7133 20522.4450 14409.1462 243.4060 -203624.6084 2516.4290 0.0000 0.0000 52304.1239 -109611.3449 300.5925 -161915.4688 -109242.6716 299.5103 -25.5904 2.0901 760496.4046 2.0135 2.2848 PRESSURE: 3685400 84.8974 -96.9208 -293.316 -96.921 31.3696 -231.441 -293.316 -231.442 -56.3604 GPRESSURE: 3685400 146.893 -38.9726 -200.732 -66.4305 43.8143 -138.278 -296.009 -156.419 -75.9245 PRESSAVG: 3685400 41.5829 7.07835 -47.628 7.07834 -82.1083 -24.639 -47.6281 -24.639 3.28319 GPRESSAVG: 3685400 40.457 8.71216 -46.5478 7.39415 -81.8556 -22.7428 -48.7658 -24.1541 3.45341 TIMING: 3685400 CPU: 11650.5, 0.00315543/step Wall: 11650.5, 0.00315543/step, 1.15226 hours remaining, 239.445312 MB of memory in use. ENERGY: 3685400 3970.8728 20473.0183 14486.0572 241.1055 -203743.3443 2720.3531 0.0000 0.0000 52208.9779 -109642.9595 300.0457 -161851.9374 -109274.5745 299.0353 19.9689 38.2610 759475.1055 -12.4141 -12.6484 PRESSURE: 3685600 -11.8587 -107.087 -91.4984 -107.088 -118.917 118.153 -91.4995 118.154 36.5391 GPRESSURE: 3685600 72.5102 -107.886 -112.439 -93.3442 -139.851 101.758 -79.8621 2.61809 46.0774 PRESSAVG: 3685600 51.0503 -5.23952 -33.5945 -5.23955 -31.2423 -12.9202 -33.5946 -12.9202 18.9209 GPRESSAVG: 3685600 52.0016 -4.78823 -34.6832 -6.33041 -30.8511 -12.1592 -31.5602 -13.6601 17.3866 TIMING: 3685600 CPU: 11651.1, 0.0031758/step Wall: 11651.1, 0.0031758/step, 1.15952 hours remaining, 239.445312 MB of memory in use. ENERGY: 3685600 4008.5634 20631.7818 14499.0501 249.7634 -203429.5924 2756.4802 0.0000 0.0000 51831.6597 -109452.2938 297.8773 -161283.9535 -109088.8868 299.6549 -31.4123 -7.0877 761496.9031 12.9096 12.8457 PRESSURE: 3685800 -242.521 -7.745 -53.7634 -7.74379 -322.457 134.297 -53.7643 134.298 -112.761 GPRESSURE: 3685800 -133.001 45.4425 -83.9161 36.2168 -331.046 110.849 -102.94 116.111 -105.984 PRESSAVG: 3685800 23.1403 -4.851 -5.71875 -4.85099 -10.4768 57.9692 -5.71877 57.9692 20.1841 GPRESSAVG: 3685800 22.9636 -4.86585 -5.84437 -3.59565 -11.5439 56.9553 -5.60276 58.4278 21.4634 TIMING: 3685800 CPU: 11651.7, 0.00315323/step Wall: 11651.7, 0.00315323/step, 1.1511 hours remaining, 239.445312 MB of memory in use. ENERGY: 3685800 4079.6249 20456.6422 14418.5584 245.1155 -203144.2126 2188.6967 0.0000 0.0000 52238.3424 -109517.2325 300.2145 -161755.5748 -109147.1680 299.8523 -225.9129 -190.0101 761997.8199 10.9492 10.9610 PRESSURE: 3686000 179.362 -82.804 22.3422 -82.8044 -137.904 -182.551 22.3421 -182.551 -517.499 GPRESSURE: 3686000 161.171 -78.5007 -52.4686 -68.7644 -71.8393 -137.332 -21.1068 -162.591 -457.368 PRESSAVG: 3686000 24.0526 9.61713 8.41757 9.6171 19.16 19.7773 8.41758 19.7772 -2.37005 GPRESSAVG: 3686000 23.3025 10.7596 7.76819 9.35341 21.2292 19.6879 6.45185 20.6739 -3.76599 TIMING: 3686000 CPU: 11652.4, 0.0031552/step Wall: 11652.4, 0.0031552/step, 1.15165 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3686000 4014.3125 20561.8566 14540.0754 245.9807 -203626.1547 2628.4530 0.0000 0.0000 52040.4422 -109595.0342 299.0771 -161635.4764 -109239.7623 299.3248 -158.6801 -122.6786 759821.6295 13.6142 13.5886 PRESSURE: 3686200 -29.5077 -316.069 277.055 -316.069 176.236 53.1106 277.056 53.1104 -139.27 GPRESSURE: 3686200 -23.9305 -320.141 328.211 -282.009 273.813 56.8035 385.148 101.675 -151.561 PRESSAVG: 3686200 -16.5342 17.4869 11.2337 17.4869 -2.71852 -23.6026 11.2337 -23.6027 -24.1574 GPRESSAVG: 3686200 -16.2245 15.0217 11.9325 17.5685 -4.33383 -23.9081 11.8232 -22.5762 -23.162 TIMING: 3686200 CPU: 11653, 0.00315415/step Wall: 11653, 0.00315415/step, 1.15109 hours remaining, 239.445312 MB of memory in use. ENERGY: 3686200 3936.0625 20335.1027 14445.4895 254.1796 -203463.3503 2492.6632 0.0000 0.0000 52250.9654 -109748.8874 300.2870 -161999.8529 -109387.7568 299.7161 2.4859 32.7738 761097.5247 -14.4700 -14.5734 PRESSURE: 3686400 -292.754 215.342 41.9773 215.341 49.4397 48.9589 41.9775 48.9591 67.0147 GPRESSURE: 3686400 -243.41 234.951 119.752 118.287 150.526 172.532 47.8228 21.9522 -5.97951 PRESSAVG: 3686400 14.1597 -2.20366 19.3202 -2.20363 -15.421 -12.687 19.3202 -12.6869 23.4736 GPRESSAVG: 3686400 15.9735 -1.83357 19.3877 -2.59984 -15.5651 -11.3158 18.1069 -14.282 21.6587 TIMING: 3686400 CPU: 11653.6, 0.00316472/step Wall: 11653.6, 0.00316472/step, 1.15477 hours remaining, 239.445312 MB of memory in use. ENERGY: 3686400 3928.4344 20505.4551 14414.1873 243.5877 -203633.7817 2629.3203 0.0000 0.0000 51992.8325 -109919.9644 298.8035 -161912.7969 -109561.9753 299.0820 -58.7665 -32.9545 761935.8559 7.4041 7.3557 PRESSURE: 3686600 298.734 -19.5202 88.1973 -19.5197 126.667 -1.0594 88.1977 -1.06028 -30.0459 GPRESSURE: 3686600 314.997 -11.1943 54.0939 -17.1462 167.178 93.9245 -17.2648 -125.181 3.71858 PRESSAVG: 3686600 -6.67784 18.3217 19.3479 18.3217 40.0654 11.7443 19.348 11.7443 -7.12468 GPRESSAVG: 3686600 -9.54841 17.9864 19.9751 17.1061 40.8904 12.2892 21.8291 12.0639 -5.57561 TIMING: 3686600 CPU: 11654.3, 0.00316293/step Wall: 11654.3, 0.00316293/step, 1.15394 hours remaining, 239.445312 MB of memory in use. ENERGY: 3686600 3910.3589 20454.8815 14385.4527 233.6986 -203796.5334 2915.1386 0.0000 0.0000 52077.1311 -109819.8721 299.2880 -161897.0032 -109446.1292 298.6265 131.7849 161.9645 760005.7146 8.7543 8.5888 PRESSURE: 3686800 -84.1028 -1.57747 153.398 -1.57735 -167.034 -134.733 153.398 -134.734 -215.625 GPRESSURE: 3686800 -46.8327 94.8296 140.43 -59.7857 -90.7611 -186.132 61.7076 -174.124 -235.136 PRESSAVG: 3686800 10.886 -2.91311 -9.74192 -2.91307 -54.86 -5.67377 -9.74193 -5.67386 -22.9516 GPRESSAVG: 3686800 12.5417 -3.53427 -10.3828 -0.437303 -54.4848 -6.12286 -10.6632 -5.75741 -24.6412 TIMING: 3686800 CPU: 11654.9, 0.00317588/step Wall: 11654.9, 0.00317588/step, 1.15849 hours remaining, 239.445312 MB of memory in use. ENERGY: 3686800 3978.8027 20373.2384 14421.7096 243.4918 -203821.7549 2650.9873 0.0000 0.0000 52254.7104 -109898.8147 300.3085 -162153.5250 -109530.3816 298.6623 -155.5871 -124.2432 759534.5900 -22.3085 -22.1947 PRESSURE: 3687000 2.58146 80.4078 -68.9288 80.4064 -98.4364 22.4658 -68.9287 22.4644 69.5386 GPRESSURE: 3687000 11.3306 55.0144 -72.9354 116.605 30.383 71.8117 16.2847 -23.686 10.732 PRESSAVG: 3687000 -12.5182 -15.6051 28.4292 -15.605 15.5931 -43.9182 28.4292 -43.9183 -6.95484 GPRESSAVG: 3687000 -13.8819 -15.6888 28.4154 -16.6511 16.2057 -43.1888 29.8502 -46.3354 -5.90712 TIMING: 3687000 CPU: 11655.5, 0.00314219/step Wall: 11655.5, 0.00314219/step, 1.14603 hours remaining, 239.445312 MB of memory in use. ENERGY: 3687000 3988.8667 20611.1703 14490.8218 225.7289 -203653.3806 2511.7922 0.0000 0.0000 51815.1504 -110009.8504 297.7824 -161825.0008 -109661.3252 299.1671 -8.7721 17.4819 760482.0891 -1.2933 -1.1945 PRESSURE: 3687200 127.246 -283.118 19.5188 -283.119 323.086 23.164 19.5194 23.1637 -13.5866 GPRESSURE: 3687200 158.982 -216.919 -37.3183 -215.094 289.527 -63.5762 0.841602 -22.668 75.6058 PRESSAVG: 3687200 55.8513 -13.6392 -0.990212 -13.6393 9.53861 -2.37653 -0.990217 -2.37647 0.376889 GPRESSAVG: 3687200 56.9816 -14.9164 0.477717 -14.1233 8.20535 -4.07619 -3.79416 0.0200319 0.230541 TIMING: 3687200 CPU: 11656.2, 0.00315677/step Wall: 11656.2, 0.00315677/step, 1.15117 hours remaining, 239.445312 MB of memory in use. ENERGY: 3687200 3872.0353 20596.0254 14437.2567 219.6467 -203672.8521 2637.2206 0.0000 0.0000 51987.2580 -109923.4094 298.7715 -161910.6675 -109569.0706 298.2691 145.5817 174.7050 760401.1635 21.9223 21.8058 PRESSURE: 3687400 140.603 142.672 -54.6514 142.672 101.573 -55.9539 -54.6521 -55.9535 261.048 GPRESSURE: 3687400 231.577 224.647 -91.1614 -49.5232 118.534 -93.6387 -111.478 -6.71844 240.367 PRESSAVG: 3687400 88.1672 -10.9725 -3.32968 -10.9725 -92.0573 -65.4155 -3.32968 -65.4154 16.1081 GPRESSAVG: 3687400 87.5289 -7.78619 -4.18951 -11.0316 -91.4382 -63.9091 -2.85797 -66.046 15.4874 TIMING: 3687400 CPU: 11656.8, 0.00315915/step Wall: 11656.8, 0.00315915/step, 1.15186 hours remaining, 239.445312 MB of memory in use. ENERGY: 3687400 3964.1629 20396.8316 14402.5173 255.3679 -203844.2370 2926.0043 0.0000 0.0000 51991.2194 -109908.1336 298.7943 -161899.3530 -109545.9244 298.7098 167.7412 196.8260 760915.0766 4.0727 3.8593 PRESSURE: 3687600 -60.6994 5.82232 -125.153 5.82258 96.7399 -94.55 -125.153 -94.5497 -122.804 GPRESSURE: 3687600 32.8876 -9.42336 -154.357 153.656 100.737 -59.5698 -120.274 -36.6223 -133.951 PRESSAVG: 3687600 43.9202 -11.0253 31.7466 -11.0254 -50.0563 46.0147 31.7465 46.0148 -15.4883 GPRESSAVG: 3687600 44.8895 -13.714 30.6584 -9.89687 -51.7588 45.8253 33.4752 46.1571 -15.1225 TIMING: 3687600 CPU: 11657.4, 0.00316047/step Wall: 11657.4, 0.00316047/step, 1.15217 hours remaining, 239.445312 MB of memory in use. ENERGY: 3687600 3946.6105 20498.1549 14469.8310 242.8100 -203297.5226 2461.1096 0.0000 0.0000 51840.0834 -109838.9232 297.9257 -161679.0067 -109484.2091 298.6169 -28.9211 -0.1089 761060.6114 -7.2081 -7.3306 PRESSURE: 3687800 316.346 45.8853 92.9783 45.8851 -424.079 -272.878 92.978 -272.878 1.85153 GPRESSURE: 3687800 250.884 -158.992 171.47 -40.4409 -287.291 -242.976 107.554 -289.625 24.0088 PRESSAVG: 3687800 -1.90951 -2.92045 18.0012 -2.92041 -38.2706 -28.4933 18.0012 -28.4934 -13.9221 GPRESSAVG: 3687800 -2.51341 -1.74863 18.1463 -2.93501 -37.4438 -30.0441 17.4436 -26.2532 -14.1664 TIMING: 3687800 CPU: 11658.1, 0.00315449/step Wall: 11658.1, 0.00315449/step, 1.14981 hours remaining, 239.445312 MB of memory in use. ENERGY: 3687800 3966.7547 20424.2356 14410.2467 252.9318 -203344.1579 2567.4538 0.0000 0.0000 51975.1422 -109747.3931 298.7019 -161722.5352 -109393.1790 298.6724 -35.2939 -4.1329 761365.9657 -18.0341 -18.0412 PRESSURE: 3688000 -421.03 3.4133 106.76 3.41378 -91.8295 -261.44 106.759 -261.438 -3.92147 GPRESSURE: 3688000 -462.207 -40.5265 200.353 63.1523 -5.37066 -362.915 125.995 -231.226 32.5272 PRESSAVG: 3688000 45.4978 -57.7768 59.3593 -57.7768 -49.4451 7.42169 59.3592 7.42177 -0.609146 GPRESSAVG: 3688000 45.4235 -59.0915 59.8722 -58.7604 -49.3869 6.98387 59.0346 4.54801 -0.894171 TIMING: 3688000 CPU: 11658.7, 0.00315139/step Wall: 11658.7, 0.00315139/step, 1.14851 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3688000 3940.9953 20663.4448 14430.9090 227.2059 -203004.0131 2245.0716 0.0000 0.0000 51908.9423 -109587.4441 298.3214 -161496.3864 -109220.7222 299.2883 -172.2602 -145.0169 763112.4462 -1.5188 -1.6192 PRESSURE: 3688200 -166.243 12.1895 -65.8374 12.1892 170.195 95.8305 -65.8377 95.8308 5.56655 GPRESSURE: 3688200 -95.6296 -16.4587 -78.94 95.757 174.003 85.9187 -28.309 172.13 0.00423237 PRESSAVG: 3688200 24.3549 27.2554 -0.302305 27.2553 -5.28802 -58.5356 -0.302269 -58.5355 -2.33983 GPRESSAVG: 3688200 23.9516 28.5378 1.12125 26.4314 -5.16087 -55.6732 1.3302 -59.208 -1.91979 TIMING: 3688200 CPU: 11659.3, 0.00315086/step Wall: 11659.3, 0.00315086/step, 1.14814 hours remaining, 239.445312 MB of memory in use. ENERGY: 3688200 3976.5403 20598.5517 14504.1493 229.7182 -203224.0597 2515.1453 0.0000 0.0000 51900.3334 -109499.6214 298.2719 -161399.9548 -109148.0138 298.9925 3.1731 26.1259 762939.8515 5.5757 5.6236 LDB: ============= START OF LOAD BALANCING ============== 11671.7 LDB: ============== END OF LOAD BALANCING =============== 11671.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11671.7 LDB: ============= START OF LOAD BALANCING ============== 11672 LDB: Largest compute 7034 load 0.032655 is 16.7% of average load 0.196072 LDB: Average compute 0.004399 is 2.2% of average load 0.196072 LDB: TIME 11672 LOAD: AVG 0.196072 MAX 0.218209 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 11672 LOAD: AVG 0.196072 MAX 0.218209 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.051 MB LDB: TIME 11672 LOAD: AVG 0.196072 MAX 0.218209 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.051 MB LDB: ============== END OF LOAD BALANCING =============== 11672 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11672.1 PRESSURE: 3688400 -17.4607 97.5031 -177.255 97.5027 -124.852 -101.466 -177.254 -101.464 -113.356 GPRESSURE: 3688400 7.48917 149.295 -183.766 61.8287 -85.2647 -69.1614 -231.517 -113.47 -90.1746 PRESSAVG: 3688400 44.3358 9.83237 -20.8133 9.83243 -26.0285 -37.4623 -20.8133 -37.4622 -8.54379 GPRESSAVG: 3688400 44.9974 9.37396 -23.9585 11.7889 -26.3365 -37.2239 -21.1257 -36.401 -8.75377 TIMING: 3688400 CPU: 11660, 0.00328077/step Wall: 11660, 0.00328077/step, 1.19529 hours remaining, 240.406250 MB of memory in use. ENERGY: 3688400 3951.7527 20589.6139 14510.5228 243.8959 -203024.1911 2381.3277 0.0000 0.0000 51943.3854 -109403.6926 298.5194 -161347.0781 -109041.3047 299.0811 -85.2231 -55.9834 762276.8441 3.2545 3.3024 PRESSURE: 3688600 -166.93 -85.3347 -0.55109 -85.3357 -185.352 -108.285 -0.552002 -108.285 -125.818 GPRESSURE: 3688600 -184.471 -41.1059 32.3539 -42.9372 -41.8998 -55.9019 -8.23724 -151.495 -162.899 PRESSAVG: 3688600 18.5739 -12.966 5.20581 -12.966 -27.6824 -75.0488 5.2058 -75.0487 20.8393 GPRESSAVG: 3688600 18.0662 -14.114 6.83742 -12.6929 -26.6734 -74.4696 3.57582 -76.9426 20.8839 TIMING: 3688600 CPU: 11660.6, 0.00318941/step Wall: 11660.6, 0.00318941/step, 1.16183 hours remaining, 240.472656 MB of memory in use. ENERGY: 3688600 4053.3279 20472.6355 14516.4534 264.1608 -203388.5715 2628.5397 0.0000 0.0000 52043.0917 -109410.3624 299.0924 -161453.4541 -109060.5788 298.9244 -159.3666 -129.7566 761624.8499 3.9103 4.0922 PRESSURE: 3688800 -216.007 8.89532 153.554 8.89447 -250.657 -154.625 153.554 -154.625 118.3 GPRESSURE: 3688800 -171.462 -57.6533 278.93 -14.836 -237.532 -236.021 146.698 -9.23853 166.431 PRESSAVG: 3688800 17.8803 -26.7808 39.0597 -26.7808 10.9515 -51.8335 39.0598 -51.8334 -18.3142 GPRESSAVG: 3688800 17.292 -25.3996 39.6813 -26.3152 10.2344 -53.3158 39.9568 -48.8645 -17.1548 TIMING: 3688800 CPU: 11661.2, 0.0031634/step Wall: 11661.2, 0.0031634/step, 1.15218 hours remaining, 240.472656 MB of memory in use. ENERGY: 3688800 3975.1001 20551.4322 14512.5028 226.9594 -203255.3545 2597.5627 0.0000 0.0000 51993.9301 -109397.8672 298.8098 -161391.7973 -109044.7941 299.6818 -116.1212 -80.8545 760096.1348 3.5059 3.4572 PRESSURE: 3689000 -291.644 146.732 -185.143 146.731 193.254 -3.64785 -185.143 -3.64813 -142.187 GPRESSURE: 3689000 -221.921 128.608 -219.455 145.713 222.654 93.4813 -140.098 45.7136 -154.568 PRESSAVG: 3689000 -27.0093 -38.7972 18.6133 -38.7973 28.2539 10.9262 18.6133 10.9262 1.92592 GPRESSAVG: 3689000 -25.8829 -38.7033 16.4959 -39.1248 27.4942 11.1789 20.7645 11.8026 1.54137 TIMING: 3689000 CPU: 11661.9, 0.00319019/step Wall: 11661.9, 0.00319019/step, 1.16176 hours remaining, 240.472656 MB of memory in use. ENERGY: 3689000 4052.9720 20484.8306 14467.7008 230.5458 -203483.7120 2805.0862 0.0000 0.0000 51964.8633 -109477.7132 298.6428 -161442.5766 -109123.6244 299.3871 -80.1924 -51.2786 762199.4903 1.0568 1.0509 PRESSURE: 3689200 -127.352 108 10.6957 108 431.754 -87.0519 10.6953 -87.0536 108.257 GPRESSURE: 3689200 -126.887 106.019 -0.740344 23.065 444.973 -116.099 -40.0018 -119.696 178.913 PRESSAVG: 3689200 -36.458 -54.3086 5.68155 -54.3086 24.141 -26.4413 5.68152 -26.4414 10.8351 GPRESSAVG: 3689200 -35.6779 -53.6307 7.1284 -55.2026 24.4253 -26.84 2.8817 -27.8904 9.5101 TIMING: 3689200 CPU: 11662.5, 0.00316957/step Wall: 11662.5, 0.00316957/step, 1.15408 hours remaining, 240.472656 MB of memory in use. ENERGY: 3689200 3968.0527 20599.9344 14473.8151 253.4197 -203994.7071 2840.0647 0.0000 0.0000 52313.3819 -109546.0385 300.6457 -161859.4204 -109183.8433 299.2907 137.5532 165.6665 760625.3698 -0.4939 -0.5808 PRESSURE: 3689400 -153.248 -96.3892 25.5867 -96.3901 -94.1622 34.1727 25.5867 34.173 -200.854 GPRESSURE: 3689400 -88.5741 -17.9221 104.798 -30.0243 -128.675 23.5501 -27.6229 -190.969 -153.762 PRESSAVG: 3689400 -8.4954 -5.41307 -13.7257 -5.41314 -1.05809 -5.08793 -13.7257 -5.08789 9.40548 GPRESSAVG: 3689400 -9.611 -7.13467 -13.1924 -2.47317 -0.699895 -5.21268 -14.0863 -5.73534 10.7081 TIMING: 3689400 CPU: 11663.1, 0.00314674/step Wall: 11663.1, 0.00314674/step, 1.14559 hours remaining, 240.472656 MB of memory in use. ENERGY: 3689400 3932.6010 20589.9573 14445.4608 265.8075 -203154.8768 2337.7838 0.0000 0.0000 51902.1231 -109681.1433 298.2822 -161583.2664 -109322.7156 299.5991 -149.4214 -123.6705 761850.9038 -0.0493 0.1324 PRESSURE: 3689600 -361.773 171.626 -85.2692 171.625 -3.42244 -4.94309 -85.2694 -4.94246 771.821 GPRESSURE: 3689600 -267.41 30.2305 -71.214 164.975 90.138 74.2251 -103.109 -23.466 657.686 PRESSAVG: 3689600 22.6387 37.0472 -41.7346 37.0472 51.1079 7.68083 -41.7345 7.68078 -10.0598 GPRESSAVG: 3689600 22.5621 37.6511 -42.1985 34.5759 51.5758 8.01103 -43.1127 10.5926 -10.3226 TIMING: 3689600 CPU: 11663.8, 0.00317174/step Wall: 11663.8, 0.00317174/step, 1.15451 hours remaining, 240.472656 MB of memory in use. ENERGY: 3689600 4002.8353 20565.1043 14551.7709 268.7732 -203516.5636 2717.3403 0.0000 0.0000 51925.2224 -109485.5172 298.4150 -161410.7396 -109126.2953 299.1377 135.5419 160.1379 761400.3375 21.2289 21.2718 PRESSURE: 3689800 285.666 -217.118 -139.632 -217.12 70.4913 10.9761 -139.633 10.976 -121.374 GPRESSURE: 3689800 352.834 -98.9148 -41.2219 -143.162 77.7963 -98.7684 -206.348 -4.31177 -90.5587 PRESSAVG: 3689800 -2.27515 35.3125 -2.06313 35.3125 -26.5234 -19.4553 -2.06316 -19.4553 18.8725 GPRESSAVG: 3689800 -2.0478 32.8752 -1.91935 38.3931 -27.0995 -19.7876 0.471544 -22.6601 19.3514 TIMING: 3689800 CPU: 11664.4, 0.0031671/step Wall: 11664.4, 0.0031671/step, 1.15265 hours remaining, 240.472656 MB of memory in use. ENERGY: 3689800 4057.1261 20537.2554 14455.3206 264.7167 -203772.4400 3072.9987 0.0000 0.0000 51830.2229 -109554.7995 297.8690 -161385.0225 -109192.2353 298.5326 78.2610 113.3572 762990.7079 -3.3087 -3.2653 PRESSURE: 3690000 6.00754 7.37328 151.082 7.37357 -98.1543 234.082 151.082 234.081 -201.079 GPRESSURE: 3690000 26.6139 -125.202 210.047 36.4371 -109.825 340.011 -100.601 268.998 -127.473 PRESSAVG: 3690000 -6.29588 -53.371 -2.28673 -53.371 -36.4191 -51.0553 -2.28668 -51.0552 -8.25788 GPRESSAVG: 3690000 -5.41808 -50.1931 -1.82236 -53.0002 -36.7076 -48.9108 -3.38915 -50.867 -8.27374 TIMING: 3690000 CPU: 11665, 0.00317575/step Wall: 11665, 0.00317575/step, 1.15562 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3690000 4060.3077 20474.7720 14427.4129 246.0618 -203592.1236 2587.9252 0.0000 0.0000 52089.2763 -109706.3677 299.3578 -161795.6440 -109347.6246 299.0528 -97.7420 -70.2280 760769.0739 -16.9910 -16.7998 PRESSURE: 3690200 152.716 -158.219 54.8843 -158.218 -179.423 -246.729 54.8843 -246.728 434.433 GPRESSURE: 3690200 285.793 -272.342 44.9526 -132.15 -134.652 -298.974 -17.6461 -19.1063 336.515 PRESSAVG: 3690200 44.2689 -30.7923 -25.769 -30.7922 -80.6042 -26.9933 -25.7689 -26.9934 9.99063 GPRESSAVG: 3690200 43.9409 -33.923 -25.951 -32.0611 -80.2941 -27.5084 -25.7089 -24.6849 9.60764 TIMING: 3690200 CPU: 11665.7, 0.00317885/step Wall: 11665.7, 0.00317885/step, 1.15657 hours remaining, 240.472656 MB of memory in use. ENERGY: 3690200 3924.9595 20582.9171 14450.7823 255.6930 -203343.5444 2643.7152 0.0000 0.0000 51781.8218 -109703.6554 297.5908 -161485.4772 -109342.4754 298.6772 135.9088 162.5521 761617.6964 -8.7816 -8.9152 PRESSURE: 3690400 -307.891 -113.48 -16.2817 -113.48 75.1459 -118.476 -16.281 -118.475 291.282 GPRESSURE: 3690400 -284.873 -2.59309 -74.4597 -72.4748 54.7604 -176.186 -27.6307 -181.349 357.112 PRESSAVG: 3690400 -2.00262 3.54553 -37.873 3.54553 -13.7931 -60.2506 -37.8729 -60.2507 16.2397 GPRESSAVG: 3690400 -2.04763 4.45403 -38.3565 2.78946 -13.6508 -61.3813 -37.0697 -62.0453 15.8433 TIMING: 3690400 CPU: 11666.3, 0.00317491/step Wall: 11666.3, 0.00317492/step, 1.15496 hours remaining, 240.472656 MB of memory in use. ENERGY: 3690400 3959.8244 20647.0585 14398.5082 231.9126 -203438.2146 2710.3803 0.0000 0.0000 52039.1241 -109451.4065 299.0696 -161490.5306 -109093.7902 299.3511 19.5123 42.3332 761813.7373 0.1480 0.0483 PRESSURE: 3690600 -289.388 32.5356 -185.163 32.536 -149.066 43.6093 -185.163 43.6086 138.442 GPRESSURE: 3690600 -276.944 84.5544 -158.418 -118.613 -107.239 20.3755 -68.7492 110.089 167.835 PRESSAVG: 3690600 -23.1129 26.0191 -11.9645 26.0192 24.6473 -27.5932 -11.9645 -27.5933 6.29856 GPRESSAVG: 3690600 -22.8496 28.079 -11.616 25.2818 22.8788 -27.7314 -9.78498 -27.504 7.41175 TIMING: 3690600 CPU: 11666.9, 0.00316878/step Wall: 11666.9, 0.00316878/step, 1.15256 hours remaining, 240.472656 MB of memory in use. ENERGY: 3690600 3951.5337 20596.7878 14386.5816 252.8729 -203141.2719 2452.6364 0.0000 0.0000 51919.0783 -109581.7812 298.3797 -161500.8595 -109217.0183 299.2247 -100.0041 -72.1164 762070.1756 2.6110 2.4803 PRESSURE: 3690800 -169.48 34.4707 -21.4199 34.4714 136.532 -108.014 -21.42 -108.014 199.231 GPRESSURE: 3690800 -148.771 -31.0899 -19.0033 -62.8793 269.834 -153.795 68.5744 -99.7791 132.706 PRESSAVG: 3690800 -21.7442 42.9679 -41.5529 42.9679 29.7606 -22.0044 -41.5529 -22.0045 -7.34773 GPRESSAVG: 3690800 -21.9439 42.943 -41.8317 43.0788 30.9477 -21.9587 -43.4359 -21.1057 -7.83716 TIMING: 3690800 CPU: 11667.6, 0.00315771/step Wall: 11667.6, 0.00315771/step, 1.14835 hours remaining, 240.472656 MB of memory in use. ENERGY: 3690800 3956.2530 20412.4830 14369.3798 267.0941 -203344.8874 2657.9673 0.0000 0.0000 52201.1640 -109480.5462 300.0008 -161681.7102 -109109.6882 298.8897 55.4275 84.5899 762564.3386 0.2229 0.3889 PRESSURE: 3691000 -1.26969 47.2182 -19.0279 47.2182 159.631 53.6207 -19.0276 53.6203 161.589 GPRESSURE: 3691000 32.8674 -17.3339 51.8418 -23.2512 248.053 -5.61108 9.76169 -67.4488 123.306 PRESSAVG: 3691000 -22.0808 14.637 -20.9347 14.637 -0.857452 27.0348 -20.9347 27.0349 -13.3502 GPRESSAVG: 3691000 -21.492 14.3443 -22.2244 14.6879 -0.524424 26.9237 -19.049 25.132 -14.6934 TIMING: 3691000 CPU: 11668.2, 0.00315566/step Wall: 11668.2, 0.00315566/step, 1.14743 hours remaining, 240.472656 MB of memory in use. ENERGY: 3691000 3952.4581 20413.6346 14441.9690 254.2291 -203581.6364 3035.9995 0.0000 0.0000 51804.6645 -109678.6816 297.7221 -161483.3461 -109313.7641 298.7631 106.6504 134.7422 764580.8127 -12.0961 -12.2366 PRESSURE: 3691200 -148.291 130.915 -155.018 130.915 -181.487 -31.33 -155.019 -31.3306 127.308 GPRESSURE: 3691200 -82.7993 -16.19 -135.345 231.742 -185.2 -11.405 -112.859 106.489 150.792 PRESSAVG: 3691200 45.6397 10.6659 -34.6616 10.666 -13.556 -6.51093 -34.6615 -6.51096 -8.78762 GPRESSAVG: 3691200 44.4685 7.93236 -33.5797 11.003 -14.3666 -9.15884 -35.5418 -4.8537 -6.7586 TIMING: 3691200 CPU: 11668.8, 0.00315358/step Wall: 11668.8, 0.00315358/step, 1.1465 hours remaining, 240.472656 MB of memory in use. ENERGY: 3691200 3983.4097 20506.9611 14461.3574 251.8540 -203539.0780 2563.6145 0.0000 0.0000 52359.4801 -109412.4011 300.9107 -161771.8812 -109046.8991 299.3858 -67.4896 -39.0693 762350.7688 7.7654 7.7811 PRESSURE: 3691400 -478.142 327.657 89.08 327.656 97.9967 19.1259 89.0793 19.1246 -162.344 GPRESSURE: 3691400 -492.009 224.238 -2.46572 218.414 137.148 9.57899 142.884 5.33584 -111.85 PRESSAVG: 3691400 28.0575 27.8123 -8.19902 27.8123 -22.5264 -51.9751 -8.19903 -51.9751 -13.2431 GPRESSAVG: 3691400 29.2616 30.0655 -9.37527 28.9241 -21.7234 -48.8271 -7.10014 -50.9953 -15.4369 TIMING: 3691400 CPU: 11669.5, 0.00318519/step Wall: 11669.5, 0.00318519/step, 1.15782 hours remaining, 240.472656 MB of memory in use. ENERGY: 3691400 4005.8261 20564.7563 14446.8376 250.6202 -203333.7769 2495.6168 0.0000 0.0000 52135.8239 -109434.2960 299.6253 -161570.1198 -109080.5726 299.5335 -180.8295 -155.5706 762562.6165 -2.5707 -2.6329 PRESSURE: 3691600 -63.3081 118.827 -3.09616 118.826 -80.3575 -219.723 -3.09601 -219.722 -351.652 GPRESSURE: 3691600 55.0967 36.6304 13.9887 184.856 -79.3789 -70.713 -46.6291 -258.204 -365.908 PRESSAVG: 3691600 73.9915 7.61426 30.6695 7.61418 -29.9106 -14.8568 30.6695 -14.8568 -8.36052 GPRESSAVG: 3691600 73.9157 7.22998 31.389 7.21869 -29.7198 -16.7354 28.9806 -15.7669 -8.63202 TIMING: 3691600 CPU: 11670.1, 0.0031663/step Wall: 11670.1, 0.0031663/step, 1.15077 hours remaining, 240.472656 MB of memory in use. ENERGY: 3691600 3967.4237 20421.3488 14419.5389 257.6688 -203260.7590 2477.8987 0.0000 0.0000 52130.0838 -109586.7963 299.5923 -161716.8801 -109222.3087 299.5892 -165.1059 -130.0633 762393.8408 11.9068 11.8546 PRESSURE: 3691800 -47.0497 60.5937 16.0656 60.5944 -52.9613 -168.582 16.0662 -168.582 -94.1246 GPRESSURE: 3691800 -37.5905 174.638 87.3124 -29.6636 -19.2679 -189.113 -60.3885 -177.773 -53.0028 PRESSAVG: 3691800 -16.4639 15.9453 25.6077 15.9453 14.3457 -4.99727 25.6077 -4.99734 -26.1151 GPRESSAVG: 3691800 -16.3534 14.9493 27.0383 16.0507 12.25 -3.29681 25.7645 -6.2114 -24.0002 TIMING: 3691800 CPU: 11670.7, 0.00315952/step Wall: 11670.7, 0.00315952/step, 1.14813 hours remaining, 240.472656 MB of memory in use. ENERGY: 3691800 3946.9418 20462.0753 14423.1606 243.6000 -203261.2488 2575.4638 0.0000 0.0000 51895.2550 -109714.7521 298.2427 -161610.0072 -109350.3961 298.8373 -64.7119 -36.6204 762665.7820 -9.4111 -9.3679 PRESSURE: 3692000 -134.874 -131.415 41.5907 -131.415 -99.1076 -136.746 41.5913 -136.748 274.141 GPRESSURE: 3692000 -108.958 -131.501 31.0435 -147.092 -39.5532 -161.577 199.569 -26.1637 264.252 PRESSAVG: 3692000 46.7887 -21.4267 8.98366 -21.4267 -6.22917 -18.4571 8.98362 -18.4571 15.028 GPRESSAVG: 3692000 46.0262 -19.9639 7.99945 -20.7992 -5.07161 -20.0662 9.52648 -15.6418 14.8193 TIMING: 3692000 CPU: 11671.4, 0.00315575/step Wall: 11671.4, 0.00315575/step, 1.14659 hours remaining, 240.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3692000 3973.4063 20433.2701 14463.9897 243.1652 -203348.0435 2553.1576 0.0000 0.0000 51927.4471 -109753.6074 298.4278 -161681.0545 -109392.8302 298.7868 13.3864 38.5802 762386.0182 18.5292 18.5913 PRESSURE: 3692200 127.245 162.601 172.482 162.602 97.2899 43.493 172.482 43.4934 46.604 GPRESSURE: 3692200 244.104 165.698 140.633 119.101 60.703 -10.422 53.4717 79.2352 42.4028 PRESSAVG: 3692200 12.273 -33.722 61.4152 -33.722 -51.9143 40.6755 61.4151 40.6755 19.1624 GPRESSAVG: 3692200 13.5709 -35.7942 62.5823 -34.9736 -52.5336 42.6448 61.0145 38.4885 18.2403 TIMING: 3692200 CPU: 11672, 0.00316606/step Wall: 11672, 0.00316606/step, 1.15016 hours remaining, 240.472656 MB of memory in use. ENERGY: 3692200 3993.3612 20495.6187 14449.2006 241.8068 -203691.2859 2880.5615 0.0000 0.0000 51888.1896 -109742.5475 298.2021 -161630.7371 -109380.9772 298.5025 90.3797 115.7368 762636.0101 -6.8263 -6.9075 LDB: ============= START OF LOAD BALANCING ============== 11684.4 LDB: ============== END OF LOAD BALANCING =============== 11684.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11684.4 LDB: ============= START OF LOAD BALANCING ============== 11684.7 LDB: Largest compute 7048 load 0.032508 is 16.6% of average load 0.195964 LDB: Average compute 0.004392 is 2.2% of average load 0.195964 LDB: TIME 11684.7 LOAD: AVG 0.195964 MAX 0.217915 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 11684.7 LOAD: AVG 0.195964 MAX 0.217915 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.75 MB LDB: TIME 11684.7 LOAD: AVG 0.195964 MAX 0.217915 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.75 MB LDB: ============== END OF LOAD BALANCING =============== 11684.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11684.7 PRESSURE: 3692400 270.507 82.7803 -133.378 82.7808 -53.0704 -35.1498 -133.378 -35.1504 98.4246 GPRESSURE: 3692400 253.769 -13.0558 -153.907 66.5068 78.3465 -121.451 -21.447 -19.9965 81.8655 PRESSAVG: 3692400 41.7023 -8.27983 32.9028 -8.27986 -15.3289 -33.0395 32.9028 -33.0396 -10.2243 GPRESSAVG: 3692400 39.4953 -6.13975 31.4778 -8.68316 -13.8593 -34.6882 35.4911 -31.5431 -9.55912 TIMING: 3692400 CPU: 11672.7, 0.00321832/step Wall: 11672.7, 0.00321832/step, 1.16896 hours remaining, 238.468750 MB of memory in use. ENERGY: 3692400 3989.0434 20484.4577 14412.0574 249.9363 -203502.1493 2619.4621 0.0000 0.0000 52270.0302 -109477.1622 300.3966 -161747.1925 -109112.4100 298.9957 105.2871 137.9935 762972.5527 5.3831 5.3590 PRESSURE: 3692600 -178.82 141.4 213.624 141.401 -91.2619 -167.124 213.623 -167.125 -416.546 GPRESSURE: 3692600 -88.7925 233.879 232.313 125.628 -113.389 -140.962 126.068 -244.376 -394.346 PRESSAVG: 3692600 -28.0675 29.1669 -0.104345 29.1669 76.3359 28.8242 -0.104396 28.8242 21.3406 GPRESSAVG: 3692600 -27.9744 28.6154 0.68826 29.7666 76.0928 30.1523 -0.344469 27.2908 21.817 TIMING: 3692600 CPU: 11673.3, 0.00315583/step Wall: 11673.3, 0.00315583/step, 1.14609 hours remaining, 238.671875 MB of memory in use. ENERGY: 3692600 4123.2429 20455.7677 14442.9191 238.7885 -203469.9447 2695.1989 0.0000 0.0000 52184.6609 -109329.3666 299.9060 -161514.0275 -108961.6505 299.5446 -228.8757 -198.8424 762838.5052 23.2030 23.3118 PRESSURE: 3692800 -98.8994 -40.9695 64.4279 -40.9691 37.3974 4.3402 64.4281 4.3396 -290.44 GPRESSURE: 3692800 -51.1528 3.83099 133.363 -106.568 30.8933 5.42952 76.7266 58.0161 -247.617 PRESSAVG: 3692800 -59.9093 -6.63816 11.4717 -6.63811 6.14392 4.13236 11.4716 4.13231 -12.2593 GPRESSAVG: 3692800 -59.593 -5.70673 12.3178 -6.68086 5.03812 4.03945 11.0382 4.29815 -11.7313 TIMING: 3692800 CPU: 11673.9, 0.00315/step Wall: 11673.9, 0.00315/step, 1.1438 hours remaining, 238.671875 MB of memory in use. ENERGY: 3692800 4015.8642 20610.4785 14414.1824 224.3160 -203476.6320 2679.8624 0.0000 0.0000 52064.2122 -109467.7164 299.2137 -161531.9286 -109117.2055 299.8323 -117.3142 -89.2922 763056.1713 -22.0082 -22.0954 PRESSURE: 3693000 -331.996 145.803 -254.969 145.802 -36.5427 76.6799 -254.97 76.6802 206.947 GPRESSURE: 3693000 -196.363 56.5303 -215.861 118.968 -61.8447 84.1022 -121.214 132.342 194.649 PRESSAVG: 3693000 1.10467 -7.79336 16.5589 -7.79331 -13.0287 -6.54703 16.5589 -6.54696 5.78188 GPRESSAVG: 3693000 1.60862 -9.00671 15.501 -8.96006 -13.3881 -8.04133 17.9383 -5.48972 5.03676 TIMING: 3693000 CPU: 11674.5, 0.0031655/step Wall: 11674.5, 0.0031655/step, 1.14925 hours remaining, 238.671875 MB of memory in use. ENERGY: 3693000 3997.6450 20356.9249 14425.2514 243.2356 -203101.6493 2438.0203 0.0000 0.0000 52167.0770 -109473.4951 299.8049 -161640.5721 -109097.4070 299.4287 -53.8638 -21.1863 762957.1423 -2.0474 -2.2476 PRESSURE: 3693200 247.096 182.493 142.487 182.493 88.9313 129.265 142.487 129.266 83.3199 GPRESSURE: 3693200 253.547 91.4039 85.2429 94.5878 56.2374 77.078 192.486 107.717 230.578 PRESSAVG: 3693200 17.8624 -20.9364 51.1847 -20.9365 -27.6417 -24.2257 51.1847 -24.2257 27.2226 GPRESSAVG: 3693200 17.5511 -18.3014 52.0984 -22.5791 -28.1604 -23.0751 48.8901 -25.6741 27.3504 TIMING: 3693200 CPU: 11675.2, 0.00315044/step Wall: 11675.2, 0.00315044/step, 1.14361 hours remaining, 238.671875 MB of memory in use. ENERGY: 3693200 3959.6745 20616.8964 14454.4956 256.0391 -203593.8444 2726.7181 0.0000 0.0000 51744.7612 -109835.2595 297.3779 -161580.0207 -109473.0320 298.9624 139.7823 180.1209 760942.6056 5.8144 5.5804 PRESSURE: 3693400 -170.075 -241.757 374.347 -241.757 227.6 148.385 374.346 148.386 -207.025 GPRESSURE: 3693400 -119.69 -243.232 349.866 -120.907 262.173 103.389 353.602 256.511 -215.936 PRESSAVG: 3693400 44.3204 -40.6287 -6.93919 -40.6286 -11.0516 33.6721 -6.93923 33.6722 -7.7106 GPRESSAVG: 3693400 44.5599 -43.5502 -8.3401 -39.3296 -10.8148 32.5104 -7.0121 32.4488 -8.5087 TIMING: 3693400 CPU: 11675.8, 0.00317094/step Wall: 11675.8, 0.00317094/step, 1.15088 hours remaining, 238.671875 MB of memory in use. ENERGY: 3693400 4051.3811 20440.4268 14487.5253 243.0768 -203856.6802 2599.6617 0.0000 0.0000 52270.4079 -109764.2006 300.3988 -162034.6084 -109393.7749 298.7830 -49.8333 -24.4843 759866.0743 8.5194 8.4121 PRESSURE: 3693600 92.8569 -10.6489 -152.153 -10.6491 131.711 -235.395 -152.153 -235.394 429.159 GPRESSURE: 3693600 182.089 4.89976 -129.517 89.6228 129.778 -229.868 -205.394 -175.74 427.764 PRESSAVG: 3693600 49.5673 -81.4592 36.0719 -81.4592 -41.6762 12.5361 36.0719 12.5361 13.2737 GPRESSAVG: 3693600 48.6502 -82.053 37.3586 -79.6654 -41.4701 13.2908 35.9652 13.8381 14.0363 TIMING: 3693600 CPU: 11676.4, 0.00315641/step Wall: 11676.4, 0.00315641/step, 1.14543 hours remaining, 238.671875 MB of memory in use. ENERGY: 3693600 4025.1688 20621.3276 14439.2074 229.6098 -204000.1775 2831.7135 0.0000 0.0000 52186.9540 -109666.1964 299.9191 -161853.1504 -109322.4962 298.7947 217.9088 246.5437 759767.0619 7.0549 7.0722 PRESSURE: 3693800 106.286 16.257 -20.5779 16.2579 -268.723 40.4576 -20.5791 40.4577 91.52 GPRESSURE: 3693800 106.827 -167.568 64.9937 17.8786 -183.536 1.52268 -120.226 23.1073 112.078 PRESSAVG: 3693800 10.3479 -9.57262 12.21 -9.57261 -22.4164 -29.1985 12.21 -29.1984 -1.7996 GPRESSAVG: 3693800 10.5372 -9.59085 13.2352 -10.6421 -22.093 -29.5428 12.7529 -28.0645 -2.65772 TIMING: 3693800 CPU: 11677.1, 0.00314816/step Wall: 11677.1, 0.00314816/step, 1.14226 hours remaining, 238.671875 MB of memory in use. ENERGY: 3693800 3980.1725 20448.2277 14424.5942 245.4155 -203302.6648 2437.6803 0.0000 0.0000 52169.4306 -109597.1440 299.8184 -161766.5746 -109224.0759 299.6259 -23.6388 11.7898 761062.4631 -4.6227 -4.7378 PRESSURE: 3694000 -322.502 -30.7849 -185.941 -30.7859 -417.225 -101.667 -185.941 -101.668 -260.536 GPRESSURE: 3694000 -253.443 -16.7152 -169.678 -5.11608 -338.954 -102.248 -124.11 -77.856 -319.072 PRESSAVG: 3694000 27.3387 -4.95654 42.4497 -4.95651 -51.7468 -50.1121 42.4496 -50.1121 1.4658 GPRESSAVG: 3694000 27.4676 -3.53751 42.3829 -5.11435 -50.606 -48.3946 41.1431 -51.2164 0.865504 TIMING: 3694000 CPU: 11677.7, 0.0031707/step Wall: 11677.7, 0.0031707/step, 1.15026 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3694000 3945.5651 20557.2338 14389.4183 239.4162 -203151.2933 2400.5563 0.0000 0.0000 52156.8976 -109462.2059 299.7464 -161619.1036 -109094.6186 299.6595 -333.4212 -303.8230 762582.0080 -7.6474 -7.4243 PRESSURE: 3694200 167.064 26.1954 104.542 26.1954 -100.01 -9.59317 104.541 -9.59315 -157.27 GPRESSURE: 3694200 241.898 59.6433 56.5117 2.6276 -43.4607 -81.805 67.4304 -113.105 -191.754 PRESSAVG: 3694200 23.793 3.37937 -14.0573 3.37934 -40.596 -58.9408 -14.0573 -58.9407 -29.6888 GPRESSAVG: 3694200 23.9317 3.73435 -14.6013 3.76887 -41.4998 -60.9199 -13.7395 -58.9199 -28.9621 TIMING: 3694200 CPU: 11678.3, 0.00317899/step Wall: 11678.3, 0.00317899/step, 1.15309 hours remaining, 238.671875 MB of memory in use. ENERGY: 3694200 4014.6561 20479.1131 14456.6620 228.7690 -203280.1948 2265.4283 0.0000 0.0000 52299.6357 -109535.9306 300.5667 -161835.5662 -109173.1004 299.2470 -30.0722 2.2277 761141.0696 -15.4972 -15.5100 PRESSURE: 3694400 82.5404 4.19706 19.5782 4.19702 -160.158 -35.3479 19.5776 -35.3491 247.566 GPRESSURE: 3694400 67.4141 -51.1018 -18.6441 54.4103 -47.7177 43.7748 20.974 -80.1589 238.644 PRESSAVG: 3694400 99.0671 -3.21586 -39.755 -3.21581 -80.7694 -56.9686 -39.755 -56.9686 25.7356 GPRESSAVG: 3694400 99.0276 -2.58969 -41.0189 -2.04983 -79.6818 -55.5898 -39.086 -56.246 24.6875 TIMING: 3694400 CPU: 11679, 0.00318868/step Wall: 11679, 0.00318868/step, 1.15643 hours remaining, 238.671875 MB of memory in use. ENERGY: 3694400 3971.5662 20631.3954 14417.4393 254.5464 -204043.5405 2920.2868 0.0000 0.0000 52116.1707 -109732.1357 299.5123 -161848.3064 -109365.2968 299.2293 56.6496 86.1136 762119.6316 14.6778 14.6777 PRESSURE: 3694600 -160.174 110.467 -206.967 110.467 -374.418 -34.4929 -206.968 -34.4938 -280.324 GPRESSURE: 3694600 -95.5213 123.53 -197.6 178.879 -392.465 -111.389 -9.90388 -104.948 -250.553 PRESSAVG: 3694600 114.062 12.65 26.5444 12.6499 -95.6443 -15.5259 26.5445 -15.5258 -7.49729 GPRESSAVG: 3694600 115.598 10.7676 28.0319 13.1313 -97.7867 -15.6649 28.7723 -17.5885 -6.51169 TIMING: 3694600 CPU: 11679.6, 0.00316681/step Wall: 11679.6, 0.00316681/step, 1.14832 hours remaining, 238.671875 MB of memory in use. ENERGY: 3694600 4015.8921 20558.1001 14440.5051 246.5390 -203780.3814 2590.0158 0.0000 0.0000 52096.3841 -109832.9453 299.3986 -161929.3294 -109467.4273 299.2148 -271.6388 -246.1800 760160.9798 3.6400 3.7665 PRESSURE: 3694800 258.654 14.681 104.362 14.6806 55.5116 14.6548 104.363 14.6549 41.0912 GPRESSURE: 3694800 262.987 92.7063 99.2666 123.863 151.491 15.9433 22.4458 95.8105 28.4864 PRESSAVG: 3694800 64.9404 18.1733 38.6494 18.1733 -68.1904 -84.0033 38.6493 -84.0033 12.8106 GPRESSAVG: 3694800 64.6479 20.5105 38.2876 14.9682 -67.3668 -85.0669 34.9581 -81.5539 12.5772 TIMING: 3694800 CPU: 11680.2, 0.00315762/step Wall: 11680.2, 0.00315762/step, 1.14481 hours remaining, 238.671875 MB of memory in use. ENERGY: 3694800 3943.3730 20529.4097 14454.0103 246.8863 -203721.5023 2787.1432 0.0000 0.0000 52122.1226 -109638.5573 299.5466 -161760.6798 -109281.3445 299.2521 118.4189 147.6551 760009.8764 3.1869 3.2861 PRESSURE: 3695000 324.609 19.4205 -222.977 19.4203 -397.918 84.6569 -222.977 84.6569 140.869 GPRESSURE: 3695000 268.078 87.2395 -214.647 25.6519 -212.535 102.076 -95.2703 129.921 108.313 PRESSAVG: 3695000 28.0151 5.71836 2.56137 5.71833 -58.4399 20.374 2.56137 20.374 0.73666 GPRESSAVG: 3695000 26.5554 6.03204 4.20074 6.41053 -57.4957 21.1457 2.64923 19.7919 1.12798 TIMING: 3695000 CPU: 11680.9, 0.00314917/step Wall: 11680.9, 0.00314917/step, 1.14158 hours remaining, 238.671875 MB of memory in use. ENERGY: 3695000 4057.2694 20429.5331 14367.7233 244.6280 -203413.0413 2737.7430 0.0000 0.0000 52139.4033 -109436.7412 299.6459 -161576.1445 -109076.1781 299.2425 22.5197 54.6187 761339.3822 -9.8961 -9.9375 PRESSURE: 3695200 252.069 71.9008 147.074 71.9003 78.5984 -369.318 147.074 -369.319 538.402 GPRESSURE: 3695200 231.664 41.6917 192.608 100.948 113.998 -325.648 107.134 -399.456 591.226 PRESSAVG: 3695200 52.6828 -5.26451 -50.7065 -5.26452 -56.2664 -16.7129 -50.7065 -16.7129 -7.94089 GPRESSAVG: 3695200 52.058 -5.84064 -50.3273 -6.33616 -55.9769 -16.1872 -48.6781 -17.3851 -8.25058 TIMING: 3695200 CPU: 11681.5, 0.0031579/step Wall: 11681.5, 0.00315791/step, 1.14457 hours remaining, 238.671875 MB of memory in use. ENERGY: 3695200 3910.7512 20683.7079 14382.5451 231.7775 -203440.2030 2816.5515 0.0000 0.0000 51978.5601 -109436.3096 298.7215 -161414.8698 -109077.2013 299.4212 289.6899 312.2963 760508.4464 -3.8415 -4.0565 PRESSURE: 3695400 -12.0339 154.311 -139.413 154.312 -88.8499 -173.984 -139.414 -173.985 -68.5106 GPRESSURE: 3695400 6.24502 187.992 -68.4918 226.348 24.2902 -64.566 -136.635 -105.024 -108.901 PRESSAVG: 3695400 14.6556 28.5751 3.02511 28.5751 2.30047 -52.6283 3.0251 -52.6284 -6.96045 GPRESSAVG: 3695400 16.3341 28.261 1.67944 28.9683 0.974808 -53.2663 3.3647 -53.4739 -7.38378 TIMING: 3695400 CPU: 11682.1, 0.00315542/step Wall: 11682.1, 0.00315542/step, 1.14349 hours remaining, 238.671875 MB of memory in use. ENERGY: 3695400 4057.0961 20602.4931 14492.3590 244.6925 -203213.6342 2593.3649 0.0000 0.0000 51944.7341 -109278.8944 298.5271 -161223.6285 -108925.6815 299.5952 -56.4648 -26.1220 761501.3087 3.3319 3.3084 PRESSURE: 3695600 -160.277 307.189 28.4032 307.189 -545.521 -328.157 28.4044 -328.158 -282.384 GPRESSURE: 3695600 -120.818 293.785 15.3517 393.653 -416.639 -355.813 -25.2462 -176.757 -366.134 PRESSAVG: 3695600 37.9998 5.19235 9.98637 5.19239 -39.5217 -55.9948 9.98639 -55.9949 2.35114 GPRESSAVG: 3695600 36.7548 5.93359 8.10263 7.22237 -38.58 -56.994 11.0509 -55.3729 2.70553 TIMING: 3695600 CPU: 11682.8, 0.00314143/step Wall: 11682.8, 0.00314143/step, 1.13824 hours remaining, 238.671875 MB of memory in use. ENERGY: 3695600 4008.3908 20530.4757 14381.5134 247.5702 -202960.1541 2138.4922 0.0000 0.0000 52315.2453 -109338.4666 300.6564 -161653.7119 -108974.3309 299.4304 -329.3940 -301.1971 761517.1986 0.2764 0.2935 PRESSURE: 3695800 -167.023 111.776 -200.837 111.777 -251.742 -210.179 -200.837 -210.181 -629.626 GPRESSURE: 3695800 -60.4807 115.718 -101.805 44.3208 -284.587 -269.381 -207.345 -230.258 -606.659 PRESSAVG: 3695800 7.43095 27.0318 14.9857 27.0318 12.4976 -24.9589 14.9857 -24.959 -7.71884 GPRESSAVG: 3695800 6.55039 26.719 15.5946 26.0411 12.0121 -24.4774 12.2219 -24.7526 -6.1113 TIMING: 3695800 CPU: 11683.4, 0.00312867/step Wall: 11683.4, 0.00312867/step, 1.13345 hours remaining, 238.671875 MB of memory in use. ENERGY: 3695800 4049.7065 20523.1411 14400.1788 252.9823 -203149.2079 2482.1142 0.0000 0.0000 52288.2751 -109152.8100 300.5014 -161441.0851 -108785.1869 300.1622 -349.4637 -317.2423 761612.6994 4.0699 4.1504 PRESSURE: 3696000 -430.402 9.81911 73.3411 9.81922 213.971 -50.5125 73.3405 -50.5122 75.1835 GPRESSURE: 3696000 -296.119 -23.0729 94.5147 -94.4432 174.185 23.4843 158.142 -95.5713 58.3458 PRESSAVG: 3696000 -2.70171 -6.39244 -15.547 -6.39243 21.5341 -89.8551 -15.5469 -89.8551 -15.3951 GPRESSAVG: 3696000 -0.588741 -8.35221 -15.0662 -5.50487 21.1448 -89.3333 -13.7915 -89.8695 -17.0023 TIMING: 3696000 CPU: 11684, 0.00314296/step Wall: 11684, 0.00314296/step, 1.13845 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3696000 4056.6849 20550.5815 14410.3153 237.3541 -202985.4129 2495.3726 0.0000 0.0000 51949.9053 -109285.1992 298.5568 -161235.1045 -108917.0097 300.1187 -47.0827 -21.1960 761644.0219 1.1458 1.1846 PRESSURE: 3696200 -21.2429 60.4025 -30.0096 60.4021 -410.203 -70.7448 -30.0083 -70.7437 46.6203 GPRESSURE: 3696200 -28.4243 -25.2543 -86.349 132.776 -300.559 -132.015 -116.652 4.9137 37.6832 PRESSAVG: 3696200 32.7124 23.2518 1.54446 23.2518 -45.038 -19.9184 1.54445 -19.9183 -16.2462 GPRESSAVG: 3696200 31.8142 25.4199 0.762363 21.589 -44.9546 -20.8041 2.19106 -19.6281 -15.1805 TIMING: 3696200 CPU: 11684.6, 0.0031222/step Wall: 11684.6, 0.0031222/step, 1.13076 hours remaining, 238.671875 MB of memory in use. ENERGY: 3696200 3971.8386 20513.1554 14448.3486 232.7043 -203135.7397 2362.2311 0.0000 0.0000 52285.2141 -109322.2476 300.4838 -161607.4617 -108952.9161 299.4192 -128.2751 -97.0999 761058.6409 -9.5239 -9.4403 LDB: ============= START OF LOAD BALANCING ============== 11697 LDB: ============== END OF LOAD BALANCING =============== 11697 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11697 LDB: ============= START OF LOAD BALANCING ============== 11697.4 LDB: Largest compute 7031 load 0.031177 is 15.9% of average load 0.196078 LDB: Average compute 0.004416 is 2.3% of average load 0.196078 LDB: TIME 11697.4 LOAD: AVG 0.196078 MAX 0.21512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.207 MB LDB: TIME 11697.4 LOAD: AVG 0.196078 MAX 0.21512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.273 MB LDB: TIME 11697.4 LOAD: AVG 0.196078 MAX 0.21512 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.273 MB LDB: ============== END OF LOAD BALANCING =============== 11697.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11697.4 PRESSURE: 3696400 -275.16 223.323 -35.8177 223.322 78.3332 240.94 -35.8176 240.939 -33.4081 GPRESSURE: 3696400 -194.789 118.013 -64.635 185.528 103.774 176.655 -20.492 230.565 -45.6436 PRESSAVG: 3696400 13.7569 40.8838 -1.64384 40.8838 -5.7358 -25.2038 -1.64383 -25.2038 -10.0122 GPRESSAVG: 3696400 15.0531 39.1101 -3.04585 41.9964 -7.50737 -25.7347 -1.20276 -23.8794 -9.5509 TIMING: 3696400 CPU: 11685.3, 0.0032091/step Wall: 11685.3, 0.0032091/step, 1.16205 hours remaining, 237.699219 MB of memory in use. ENERGY: 3696400 4092.5080 20571.1434 14408.1168 238.5875 -203806.2064 2762.9323 0.0000 0.0000 52280.2650 -109452.6534 300.4554 -161732.9184 -109087.1107 299.7406 -76.7450 -45.5526 760889.1654 -0.6637 -0.6684 PRESSURE: 3696600 193.003 -55.1157 -94.6838 -55.1148 -80.0121 39.397 -94.6836 39.3969 173.213 GPRESSURE: 3696600 178.629 7.7737 -65.8062 -111.541 -47.1978 27.3205 -24.563 187.019 225.638 PRESSAVG: 3696600 -20.7046 38.0499 -41.7053 38.0498 9.18139 -67.8454 -41.7053 -67.8453 11.0312 GPRESSAVG: 3696600 -22.2875 40.0173 -41.0627 36.2015 10.9871 -68.4654 -42.2133 -67.8796 10.9986 TIMING: 3696600 CPU: 11685.9, 0.0031354/step Wall: 11685.9, 0.0031354/step, 1.13519 hours remaining, 237.699219 MB of memory in use. ENERGY: 3696600 4054.8061 20660.7204 14478.8319 240.0275 -203713.3640 2816.2186 0.0000 0.0000 52080.9906 -109381.7690 299.3102 -161462.7596 -109014.7742 299.5507 95.4011 119.0230 759489.9409 -0.1640 -0.1006 PRESSURE: 3696800 -255.758 -60.9519 -113.149 -60.9525 -78.6285 158.72 -113.149 158.718 109.21 GPRESSURE: 3696800 -221.7 -39.6098 -174.493 -35.801 11.0832 114.401 -148.07 77.471 43.8928 PRESSAVG: 3696800 -10.1836 -27.9047 -8.92806 -27.9047 17.9344 -76.2012 -8.92803 -76.2012 -6.35333 GPRESSAVG: 3696800 -8.98454 -28.7855 -6.77167 -24.7691 16.8324 -75.1139 -12.7793 -77.3471 -6.58272 TIMING: 3696800 CPU: 11686.5, 0.00315514/step Wall: 11686.5, 0.00315514/step, 1.14216 hours remaining, 237.699219 MB of memory in use. ENERGY: 3696800 4025.3929 20788.7491 14485.7716 262.7561 -203395.9665 2500.4344 0.0000 0.0000 51958.2582 -109374.6043 298.6048 -161332.8625 -109008.5201 299.9718 -75.0591 -55.5748 759621.7553 0.4658 0.4217 PRESSURE: 3697000 -17.7529 11.6929 115.547 11.6936 17.1238 109.379 115.547 109.38 571.243 GPRESSURE: 3697000 101.506 -91.8431 170.102 0.937577 86.9035 77.4697 -2.02878 87.441 472.939 PRESSAVG: 3697000 -66.9098 -80.3987 -50.0321 -80.3987 -12.5157 3.42482 -50.0321 3.4249 4.18869 GPRESSAVG: 3697000 -67.8593 -81.1868 -51.0795 -81.2147 -10.8358 4.84063 -48.3587 4.55141 3.63974 TIMING: 3697000 CPU: 11687.2, 0.00312534/step Wall: 11687.2, 0.00312534/step, 1.1312 hours remaining, 237.699219 MB of memory in use. ENERGY: 3697000 3978.6692 20621.4195 14456.5860 262.4029 -203723.8450 2732.6049 0.0000 0.0000 52152.9125 -109519.2500 299.7235 -161672.1624 -109166.6357 299.3709 190.2046 220.4494 758086.0144 -25.0789 -25.0185 PRESSURE: 3697200 -15.5607 133.892 354.431 133.893 -600.745 -239.905 354.43 -239.905 -283.208 GPRESSURE: 3697200 -2.24068 111.428 345.568 49.2909 -513.837 -228.26 376.823 -283.257 -287.698 PRESSAVG: 3697200 -41.6685 -44.0038 -47.2172 -44.0038 8.50904 -41.0953 -47.2172 -41.0954 23.919 GPRESSAVG: 3697200 -42.2194 -45.5435 -46.7546 -44.7085 7.51417 -42.5745 -46.2634 -40.5828 25.0111 TIMING: 3697200 CPU: 11687.8, 0.00315937/step Wall: 11687.8, 0.00315937/step, 1.14334 hours remaining, 237.699219 MB of memory in use. ENERGY: 3697200 4111.0411 20684.3991 14470.3861 245.4704 -203376.0271 2541.0757 0.0000 0.0000 52006.4646 -109317.1901 298.8819 -161323.6548 -108948.3808 299.3906 -299.8378 -267.9251 761596.1431 -3.0802 -3.2314 PRESSURE: 3697400 168.87 166.746 57.7259 166.745 -8.77526 286.732 57.7263 286.731 244.979 GPRESSURE: 3697400 147.845 186.51 -57.4257 122.084 14.2054 351.198 73.6095 141.247 326.878 PRESSAVG: 3697400 2.87141 19.499 -16.162 19.499 14.1926 28.8629 -16.162 28.8628 0.958408 GPRESSAVG: 3697400 3.58163 20.0336 -17.388 20.2207 14.3916 29.2424 -17.6771 26.0295 0.409471 TIMING: 3697400 CPU: 11688.4, 0.00315903/step Wall: 11688.4, 0.00315903/step, 1.14304 hours remaining, 237.699219 MB of memory in use. ENERGY: 3697400 4004.6262 20593.9826 14437.4484 258.0223 -203581.3893 2699.1952 0.0000 0.0000 52294.3723 -109293.7423 300.5365 -161588.1146 -108923.9692 299.9888 135.0246 162.9761 760858.0278 6.0075 6.1276 PRESSURE: 3697600 -146.691 29.6853 -346.606 29.6856 97.6396 -136.368 -346.604 -136.367 117.766 GPRESSURE: 3697600 -119.537 -20.3921 -244.914 45.7188 111.307 -117.335 -371.156 19.1177 154.782 PRESSAVG: 3697600 -56.3395 -1.50221 -26.2079 -1.50228 41.6439 -5.48287 -26.2079 -5.48291 -4.06742 GPRESSAVG: 3697600 -56.747 -2.42796 -24.7707 -0.712023 41.7855 -6.14731 -24.9647 -5.32245 -4.23732 TIMING: 3697600 CPU: 11689.1, 0.00316589/step Wall: 11689.1, 0.00316589/step, 1.14535 hours remaining, 237.699219 MB of memory in use. ENERGY: 3697600 3956.8134 20676.6625 14440.4889 241.3149 -203333.3899 2578.7611 0.0000 0.0000 52120.2141 -109319.1349 299.5356 -161439.3491 -108956.8490 299.9751 22.9048 48.8507 761565.1853 -6.2543 -6.3996 PRESSURE: 3697800 -141.638 -15.009 -148.593 -15.0088 -261.023 -237.127 -148.593 -237.127 -218.317 GPRESSURE: 3697800 -112.849 -57.4487 -109.458 71.0291 -197.902 -317.532 -110.633 -9.36405 -213.78 PRESSAVG: 3697800 0.601695 -5.40391 -11.6003 -5.40395 -23.6671 -16.171 -11.6003 -16.171 2.78912 GPRESSAVG: 3697800 0.47996 -2.97117 -11.9844 -6.11464 -23.2221 -15.1923 -10.8949 -13.202 2.71521 TIMING: 3697800 CPU: 11689.7, 0.00316332/step Wall: 11689.7, 0.00316332/step, 1.14424 hours remaining, 237.699219 MB of memory in use. ENERGY: 3697800 4006.4762 20687.8419 14486.5618 253.8990 -203290.7881 2580.1895 0.0000 0.0000 51981.9641 -109293.8555 298.7411 -161275.8197 -108932.6783 299.9703 -206.9926 -174.8439 762696.2493 -6.7588 -6.6756 PRESSURE: 3698000 -233.69 47.2811 191.409 47.2808 147.208 57.7317 191.409 57.7323 -27.5548 GPRESSURE: 3698000 -208.784 67.8529 306.854 136.633 234.265 56.3329 30.0826 -42.283 -52.595 PRESSAVG: 3698000 -27.9301 46.3115 6.68473 46.3115 23.6597 52.9067 6.68472 52.9068 11.7198 GPRESSAVG: 3698000 -27.5804 46.2775 6.58463 45.9048 22.2659 54.2017 5.84493 48.7123 12.6383 TIMING: 3698000 CPU: 11690.3, 0.00315973/step Wall: 11690.3, 0.00315973/step, 1.14277 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3698000 4033.3499 20661.3467 14422.4949 247.5726 -203491.2879 2656.8848 0.0000 0.0000 52056.4368 -109413.2022 299.1691 -161469.6390 -109044.6783 299.5758 -38.0122 -9.0381 761452.7666 2.4831 2.4413 PRESSURE: 3698200 -219.682 -138.515 -86.2723 -138.515 198.942 29.0053 -86.2728 29.0067 446.336 GPRESSURE: 3698200 -145.936 5.06776 -63.5856 -118.35 228.782 -9.09125 -81.4529 15.7091 446.92 PRESSAVG: 3698200 18.4686 42.4613 -106.401 42.4613 30.9079 20.235 -106.401 20.2351 -1.26006 GPRESSAVG: 3698200 18.9836 41.5961 -106.223 44.1472 31.1704 18.0011 -105.725 22.049 -2.01402 TIMING: 3698200 CPU: 11691, 0.00316112/step Wall: 11691, 0.00316112/step, 1.1431 hours remaining, 237.699219 MB of memory in use. ENERGY: 3698200 3998.5826 20744.6188 14468.5743 242.6767 -203139.3699 2344.1239 0.0000 0.0000 52154.7017 -109186.0918 299.7338 -161340.7935 -108817.2628 300.1783 141.8652 176.5888 760988.2363 16.0388 16.0466 PRESSURE: 3698400 -375.279 36.29 -174.266 36.2897 -318.658 67.2303 -174.266 67.23 -138.277 GPRESSURE: 3698400 -394.52 -109.297 -180.379 81.8499 -248.976 46.9914 -159.847 -131.369 -108.276 PRESSAVG: 3698400 47.3171 34.4913 -42.1194 34.4913 -15.5965 29.562 -42.1194 29.562 -4.52195 GPRESSAVG: 3698400 46.6292 32.7253 -42.3751 32.9359 -15.5737 30.7159 -42.8839 30.6952 -3.8681 TIMING: 3698400 CPU: 11691.6, 0.00320651/step Wall: 11691.6, 0.00320651/step, 1.15933 hours remaining, 237.699219 MB of memory in use. ENERGY: 3698400 3967.2571 20609.2594 14383.5797 231.6860 -202701.5407 1917.2940 0.0000 0.0000 52326.4974 -109265.9670 300.7211 -161592.4645 -108901.3056 300.5513 -277.4043 -250.5910 760675.0286 9.0662 9.0625 PRESSURE: 3698600 -89.3422 -73.2834 98.7761 -73.2839 -342.946 70.8102 98.7764 70.8102 132.649 GPRESSURE: 3698600 -65.652 -40.7467 58.9508 13.8161 -254.19 114.94 77.6342 146.281 104.502 PRESSAVG: 3698600 -24.1463 -17.3593 -0.924821 -17.3593 -5.40628 11.6177 -0.924788 11.6178 -1.40182 GPRESSAVG: 3698600 -22.6608 -16.8079 -1.22806 -16.2935 -5.62612 11.6416 -0.918956 10.5443 -2.98245 TIMING: 3698600 CPU: 11692.2, 0.00315429/step Wall: 11692.2, 0.00315429/step, 1.14027 hours remaining, 237.699219 MB of memory in use. ENERGY: 3698600 4036.9242 20707.9762 14463.5488 251.7896 -203465.5682 2429.1272 0.0000 0.0000 52360.4154 -109215.7869 300.9160 -161576.2023 -108850.9869 299.7935 -99.8798 -71.7800 760545.7647 -10.3181 -10.4231 PRESSURE: 3698800 41.6127 68.1184 169.156 68.1177 281.528 40.3195 169.156 40.32 292.678 GPRESSURE: 3698800 124.457 108.172 55.0598 75.6959 251.269 37.1597 207.423 118.047 324.577 PRESSAVG: 3698800 31.2704 -6.81418 -35.2088 -6.81421 9.65243 -18.7686 -35.2088 -18.7685 -0.521769 GPRESSAVG: 3698800 30.9078 -4.31825 -34.9564 -8.76268 9.38419 -19.2511 -36.886 -17.8381 -0.174071 TIMING: 3698800 CPU: 11692.9, 0.00317159/step Wall: 11692.9, 0.00317159/step, 1.14635 hours remaining, 237.699219 MB of memory in use. ENERGY: 3698800 3947.5575 20683.2432 14408.0045 258.2077 -203547.1281 2636.5077 0.0000 0.0000 52330.1895 -109283.4181 300.7423 -161613.6076 -108924.4492 300.1562 205.2730 233.4343 760554.4737 13.4670 13.3726 PRESSURE: 3699000 -213.53 53.1125 -116.175 53.1132 -132.379 -79.5864 -116.175 -79.5869 285.475 GPRESSURE: 3699000 -175.577 157.94 -86.695 -101.917 -86.1182 -103.319 -117.585 -106.505 305.864 PRESSAVG: 3699000 -19.7139 -27.0063 -43.5329 -27.0064 -3.23918 -21.5398 -43.5329 -21.5398 10.5044 GPRESSAVG: 3699000 -19.9296 -29.4804 -44.5398 -25.5527 -3.0274 -20.8341 -41.6005 -23.5054 10.5712 TIMING: 3699000 CPU: 11693.5, 0.003195/step Wall: 11693.5, 0.003195/step, 1.15464 hours remaining, 237.699219 MB of memory in use. ENERGY: 3699000 4044.0575 20515.8843 14439.3356 245.8050 -203075.6568 2359.6245 0.0000 0.0000 52024.9424 -109446.0075 298.9881 -161470.9500 -109082.9711 299.9758 -20.1448 14.7231 759453.1587 -4.1496 -4.1286 PRESSURE: 3699200 38.5391 -162.476 -300.747 -162.477 179.03 116.622 -300.747 116.622 352.49 GPRESSURE: 3699200 99.3379 -141.137 -254.716 -247.711 268.837 135.104 -203.419 77.897 293.274 PRESSAVG: 3699200 -9.71652 -19.2557 -53.3589 -19.2557 15.2066 0.926571 -53.3589 0.926603 -19.5017 GPRESSAVG: 3699200 -9.61846 -17.3021 -52.2856 -19.5561 14.4973 0.883756 -53.9618 3.22718 -18.7783 TIMING: 3699200 CPU: 11694.1, 0.0031468/step Wall: 11694.1, 0.0031468/step, 1.13704 hours remaining, 237.699219 MB of memory in use. ENERGY: 3699200 4008.1590 20698.0751 14468.3483 232.5303 -203672.7549 2602.5055 0.0000 0.0000 52249.4518 -109413.6850 300.2783 -161663.1367 -109046.5063 299.5598 190.0198 220.4830 759451.7047 -4.6705 -4.6331 PRESSURE: 3699400 -81.2334 -19.6832 113.831 -19.6832 159.196 21.3778 113.832 21.3775 201.372 GPRESSURE: 3699400 -2.86769 46.4313 179.981 -67.4825 168.975 11.5944 73.6597 93.0066 193.945 PRESSAVG: 3699400 20.0039 -40.6557 -42.2721 -40.6557 74.5198 42.0791 -42.2721 42.0791 9.97673 GPRESSAVG: 3699400 19.7865 -41.6834 -42.5704 -41.1827 74.4025 42.0144 -41.0265 38.4482 9.88138 TIMING: 3699400 CPU: 11694.8, 0.00315549/step Wall: 11694.8, 0.00315549/step, 1.14001 hours remaining, 237.699219 MB of memory in use. ENERGY: 3699400 4003.6139 20585.7390 14444.1020 258.3729 -203432.3609 2443.7533 0.0000 0.0000 52448.8724 -109247.9074 301.4244 -161696.7798 -108868.2163 300.2724 93.1116 120.0173 758920.5327 34.8335 34.6901 PRESSURE: 3699600 149.436 81.2122 -164.456 81.2118 270.542 -137.735 -164.456 -137.735 -314.844 GPRESSURE: 3699600 331.572 36.821 -150.6 66.7774 197.728 -96.7045 -251.716 -200.576 -333.403 PRESSAVG: 3699600 0.435082 -3.66973 3.3467 -3.66972 -31.476 -42.5202 3.3467 -42.5201 -2.96369 GPRESSAVG: 3699600 0.974335 -4.41991 2.9833 -4.21571 -30.3711 -42.8039 2.47591 -39.3174 -4.40099 TIMING: 3699600 CPU: 11695.4, 0.00315207/step Wall: 11695.4, 0.00315207/step, 1.1386 hours remaining, 237.699219 MB of memory in use. ENERGY: 3699600 4065.7858 20708.4741 14448.4770 236.3303 -203700.9034 2841.1033 0.0000 0.0000 52232.2076 -109168.5253 300.1792 -161400.7329 -108803.2610 299.8227 35.0445 65.2991 759820.6342 -11.3349 -11.2659 PRESSURE: 3699800 -258.823 102.954 -141.16 102.954 -198.316 95.3527 -141.16 95.3522 -203.623 GPRESSURE: 3699800 -219.374 131.335 -30.8957 71.6226 -159.488 138.211 -69.2868 160.12 -199.99 PRESSAVG: 3699800 27.0628 -39.196 -6.05647 -39.196 -36.8891 -7.96717 -6.05646 -7.96723 -20.8326 GPRESSAVG: 3699800 27.2718 -38.7734 -4.87159 -36.2732 -38.2431 -7.5534 -5.81554 -8.20909 -19.2805 TIMING: 3699800 CPU: 11696, 0.00313154/step Wall: 11696, 0.00313154/step, 1.13101 hours remaining, 237.699219 MB of memory in use. ENERGY: 3699800 4101.5651 20832.4767 14421.4475 250.3051 -203243.4444 2278.6451 0.0000 0.0000 51973.0407 -109385.9644 298.6898 -161359.0050 -109025.9447 299.9015 -220.2541 -192.9507 760282.4579 -10.2196 -10.0840 PRESSURE: 3700000 -403.413 2.98975 65.986 2.99009 -613.795 23.8285 65.9859 23.8268 -239.966 GPRESSURE: 3700000 -415.209 38.5559 -64.1991 23.0262 -482.566 39.1242 5.3115 143.123 -252.054 PRESSAVG: 3700000 -22.2987 -5.86468 -46.332 -5.86465 17.5991 21.617 -46.3321 21.617 -20.0773 GPRESSAVG: 3700000 -20.8895 -5.07167 -47.7833 -7.60109 17.2758 22.9818 -45.199 19.9376 -20.9213 TIMING: 3700000 CPU: 11696.7, 0.00315889/step Wall: 11696.7, 0.00315889/step, 1.14071 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3700000 4123.9707 20624.2357 14400.2177 256.9132 -202587.4543 1912.8584 0.0000 0.0000 51959.9833 -109309.2753 298.6147 -161269.2587 -108963.1936 299.4556 -419.0580 -383.2762 762631.4432 -8.2590 -8.1783 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700200 135.292 -45.8877 -137.396 -45.8882 65.2706 84.4048 -137.397 84.4051 169.697 GPRESSURE: 3700200 98.2556 -70.4271 -64.3196 -137.645 146.683 147.295 -18.8198 2.14032 198.678 PRESSAVG: 3700200 15.8801 -35.0239 -24.783 -35.0239 -54.9315 67.5509 -24.783 67.5508 -0.357173 GPRESSAVG: 3700200 14.0794 -36.9555 -22.8689 -32.7878 -54.6381 65.0252 -25.7203 68.7251 1.09337 TIMING: 3700200 CPU: 11697.3, 0.00324666/step Wall: 11697.3, 0.00324666/step, 1.17223 hours remaining, 237.699219 MB of memory in use. ENERGY: 3700200 4006.5208 20355.5198 14396.7074 253.4669 -202787.6608 2299.7118 0.0000 0.0000 52237.7306 -109238.0035 300.2110 -161475.7342 -108878.5201 299.5690 123.4198 147.8724 761845.2016 -13.1362 -13.1551 LDB: ============= START OF LOAD BALANCING ============== 11709.7 LDB: ============== END OF LOAD BALANCING =============== 11709.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11709.7 LDB: ============= START OF LOAD BALANCING ============== 11710 LDB: Largest compute 7070 load 0.031167 is 15.9% of average load 0.196125 LDB: Average compute 0.004392 is 2.2% of average load 0.196125 LDB: TIME 11710 LOAD: AVG 0.196125 MAX 0.214822 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 11710 LOAD: AVG 0.196125 MAX 0.214822 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.711 MB LDB: TIME 11710 LOAD: AVG 0.196125 MAX 0.214822 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.711 MB LDB: ============== END OF LOAD BALANCING =============== 11710 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11710 PRESSURE: 3700400 -102.835 142.73 267.154 142.731 -631.132 -126.78 267.154 -126.78 -167.076 GPRESSURE: 3700400 -110.95 21.811 215.467 -8.99837 -515.15 -115.748 260.58 -149.78 -193.518 PRESSAVG: 3700400 27.2758 -28.575 -52.9746 -28.575 -38.7489 34.2608 -52.9746 34.2608 -17.335 GPRESSAVG: 3700400 28.7904 -26.8271 -55.3085 -32.16 -37.8778 35.9534 -51.7521 32.6485 -19.7652 TIMING: 3700400 CPU: 11698, 0.00322554/step Wall: 11698, 0.00322554/step, 1.16442 hours remaining, 237.843750 MB of memory in use. ENERGY: 3700400 4014.5025 20623.6239 14436.1612 250.9204 -203237.9201 2500.0623 0.0000 0.0000 51974.6353 -109438.0144 298.6989 -161412.6497 -109079.4695 299.2088 -300.3477 -273.2063 763088.0793 -9.6027 -9.6175 PRESSURE: 3700600 -7.62911 -331.086 -135.727 -331.086 -167.234 -154.767 -135.727 -154.766 -348.043 GPRESSURE: 3700600 45.5957 -281.354 -235.696 -375.799 -200.787 -108.978 -118.054 -95.1999 -267.829 PRESSAVG: 3700600 -14.1859 -15.626 -64.0654 -15.6259 -9.38611 -43.9493 -64.0654 -43.9492 5.78673 GPRESSAVG: 3700600 -14.8652 -15.5649 -62.5257 -14.8148 -10.1152 -44.1046 -67.3741 -41.9678 7.39886 TIMING: 3700600 CPU: 11698.6, 0.00313953/step Wall: 11698.6, 0.00313953/step, 1.13319 hours remaining, 238.046875 MB of memory in use. ENERGY: 3700600 3997.9490 20366.6742 14486.5849 247.4398 -203079.8576 2537.6204 0.0000 0.0000 52106.0151 -109337.5742 299.4540 -161443.5893 -108966.2552 299.2251 -174.3021 -141.0069 763797.4819 -5.9284 -5.8605 PRESSURE: 3700800 11.664 -164.537 58.7329 -164.538 63.4222 -109.703 58.7325 -109.703 -98.7043 GPRESSURE: 3700800 132.965 -60.8612 -29.4328 -166.669 28.3431 -127.128 21.6646 -27.3929 -93.5868 PRESSAVG: 3700800 49.1778 -42.5391 -50.903 -42.5391 -15.4437 18.3635 -50.903 18.3634 32.1992 GPRESSAVG: 3700800 49.826 -43.4868 -51.8022 -42.0012 -16.5124 17.7395 -50.3061 19.9358 32.5961 TIMING: 3700800 CPU: 11699.2, 0.00314929/step Wall: 11699.2, 0.00314929/step, 1.13654 hours remaining, 238.046875 MB of memory in use. ENERGY: 3700800 4015.7281 20512.7811 14417.4248 250.3948 -203681.9918 2707.1624 0.0000 0.0000 52335.8472 -109442.6533 300.7748 -161778.5005 -109068.3054 299.7744 -7.8727 22.5739 760773.8853 21.9778 21.9699 PRESSURE: 3701000 135.102 -109.349 -34.5232 -109.348 -270.236 -20.556 -34.5227 -20.5559 -48.7226 GPRESSURE: 3701000 110.986 -119.949 -84.5071 -146.542 -137.567 88.989 8.8075 -2.30322 -67.6658 PRESSAVG: 3701000 23.1941 -61.8173 51.4646 -61.8173 -51.6225 -25.8766 51.4646 -25.8766 10.3023 GPRESSAVG: 3701000 23.4106 -61.1397 52.7759 -62.1582 -50.2615 -24.092 51.2695 -29.1853 9.30142 TIMING: 3701000 CPU: 11699.8, 0.00317391/step Wall: 11699.8, 0.00317391/step, 1.14525 hours remaining, 238.046875 MB of memory in use. ENERGY: 3701000 4071.4909 20456.8259 14440.9054 272.7268 -203312.6140 2502.3222 0.0000 0.0000 52118.1555 -109450.1872 299.5238 -161568.3427 -109079.8348 299.5612 -61.2857 -31.4155 762319.3839 -6.0420 -5.8498 PRESSURE: 3701200 310.533 98.5045 -260.403 98.5043 -104.823 55.2632 -260.404 55.2655 -113.927 GPRESSURE: 3701200 276.763 119.735 -225.738 87.3068 -21.09 86.0574 -290.032 18.6437 -94.8884 PRESSAVG: 3701200 48.6171 -27.7799 5.69898 -27.7799 -35.0811 9.9391 5.69895 9.9391 11.7937 GPRESSAVG: 3701200 47.4807 -26.909 5.05465 -26.8125 -34.191 7.20271 5.43808 12.2085 11.7838 TIMING: 3701200 CPU: 11700.5, 0.00316625/step Wall: 11700.5, 0.00316625/step, 1.14231 hours remaining, 238.046875 MB of memory in use. ENERGY: 3701200 3951.4438 20561.5392 14417.0729 245.4824 -203621.4435 2907.6697 0.0000 0.0000 51996.3254 -109541.9103 298.8236 -161538.2357 -109183.8907 299.1671 30.5944 53.5948 761037.5443 8.4432 8.3579 PRESSURE: 3701400 -340.181 44.5859 11.5439 44.5857 -61.3866 155.52 11.5437 155.52 -167.311 GPRESSURE: 3701400 -316.795 59.8406 43.1154 -104.826 -28.8208 130.251 0.741118 214.793 -109.921 PRESSAVG: 3701400 34.4081 3.20183 21.9276 3.20185 -17.6044 -5.82555 21.9276 -5.82563 0.985662 GPRESSAVG: 3701400 33.9545 2.62385 22.6073 2.61175 -18.327 -5.75151 21.6956 -8.77958 1.69374 TIMING: 3701400 CPU: 11701.1, 0.00317068/step Wall: 11701.1, 0.00317068/step, 1.14374 hours remaining, 238.046875 MB of memory in use. ENERGY: 3701400 4002.0063 20637.5380 14387.8667 252.7635 -202790.8498 1893.9020 0.0000 0.0000 52153.5086 -109463.2647 299.7269 -161616.7733 -109098.3518 299.2292 -189.6264 -151.8457 761269.8470 5.9298 5.7737 PRESSURE: 3701600 203.764 123.917 156.831 123.917 155.658 -37.3138 156.83 -37.3145 247.357 GPRESSURE: 3701600 290.961 121.073 57.0798 135.891 57.4529 -33.5875 29.2409 2.07744 346.437 PRESSAVG: 3701600 -38.1425 19.6608 -53.1575 19.6608 -15.2217 24.6607 -53.1575 24.6607 12.3498 GPRESSAVG: 3701600 -37.8056 20.547 -53.7011 18.0302 -15.6964 25.4565 -52.511 25.5269 12.0597 TIMING: 3701600 CPU: 11701.7, 0.00316535/step Wall: 11701.7, 0.00316535/step, 1.14164 hours remaining, 238.046875 MB of memory in use. ENERGY: 3701600 3997.5278 20630.1746 14371.5808 254.0505 -203718.2673 2745.5429 0.0000 0.0000 52070.8527 -109648.5380 299.2519 -161719.3907 -109280.4771 298.4898 202.2596 231.6170 760530.5550 -13.6715 -13.8141 PRESSURE: 3701800 232.083 -60.6678 -202.883 -60.667 10.3948 63.3444 -202.884 63.3439 4.62933 GPRESSURE: 3701800 245.978 122.475 -236.739 -44.2955 48.1683 94.876 -140.391 -7.66559 21.4131 PRESSAVG: 3701800 0.825969 -0.292246 -44.5964 -0.292225 7.37964 -42.846 -44.5964 -42.846 -1.30892 GPRESSAVG: 3701800 1.73909 0.416229 -45.5045 1.3773 6.50782 -41.9616 -44.658 -41.8626 -1.22831 TIMING: 3701800 CPU: 11702.4, 0.00317403/step Wall: 11702.4, 0.00317403/step, 1.14459 hours remaining, 238.046875 MB of memory in use. ENERGY: 3701800 3993.2886 20535.4809 14377.1873 233.7001 -203568.3745 2719.4438 0.0000 0.0000 52151.6659 -109557.6079 299.7163 -161709.2738 -109190.1431 299.1890 82.3690 105.1865 759781.9601 2.2989 2.3395 PRESSURE: 3702000 164.768 -203.255 84.3434 -203.255 -63.9451 -127.476 84.3444 -127.477 -266.031 GPRESSURE: 3702000 151.574 -221.641 213.045 -178.848 14.4304 -182.899 141.356 -120.269 -241.908 PRESSAVG: 3702000 44.678 1.14439 -4.84464 1.14431 -28.3662 -9.32772 -4.84464 -9.32771 -12.5718 GPRESSAVG: 3702000 43.7625 0.835981 -3.91553 0.242824 -28.5231 -9.4052 -5.30175 -8.8032 -11.4641 TIMING: 3702000 CPU: 11703, 0.00317223/step Wall: 11703, 0.00317223/step, 1.14376 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3702000 4002.0859 20555.8185 14372.9319 242.3205 -203287.0636 2449.1717 0.0000 0.0000 52147.6611 -109517.0740 299.6933 -161664.7352 -109156.0901 299.2002 -55.0694 -25.3012 761322.8571 1.2467 1.2584 PRESSURE: 3702200 -160.523 63.3666 -65.0868 63.3666 -177.564 -72.0912 -65.0864 -72.0907 161.429 GPRESSURE: 3702200 -123.489 32.263 38.0473 -10.7408 -99.6139 -58.5619 13.7485 -166.208 134.372 PRESSAVG: 3702200 4.54654 -34.589 -3.79552 -34.5889 -17.0576 43.6303 -3.79547 43.6302 3.218 GPRESSAVG: 3702200 4.33502 -35.6845 -4.16782 -34.6315 -16.2679 41.5542 -5.51305 42.3323 2.73389 TIMING: 3702200 CPU: 11703.6, 0.00316877/step Wall: 11703.6, 0.00316877/step, 1.14234 hours remaining, 238.046875 MB of memory in use. ENERGY: 3702200 4063.8530 20358.9605 14391.3074 266.1237 -202972.6312 2431.4665 0.0000 0.0000 52311.6572 -109149.2629 300.6358 -161460.9201 -108779.1856 299.6031 -58.8859 -29.5768 760885.4536 -3.0977 -3.0663 PRESSURE: 3702400 122.826 57.5979 -98.8615 57.5976 210.79 -78.8458 -98.8615 -78.8456 196.222 GPRESSURE: 3702400 100.683 -27.0061 -85.0348 -41.7986 193.926 -92.8526 -21.3887 -15.9338 299.715 PRESSAVG: 3702400 38.7611 -9.57164 15.8239 -9.57167 -21.1153 18.3366 15.8239 18.3366 -26.6769 GPRESSAVG: 3702400 38.5308 -8.85439 14.8056 -11.1352 -20.8301 19.343 19.4176 18.8123 -27.1488 TIMING: 3702400 CPU: 11704.3, 0.0031574/step Wall: 11704.3, 0.0031574/step, 1.13807 hours remaining, 238.046875 MB of memory in use. ENERGY: 3702400 3955.3894 20459.8547 14423.1298 250.2822 -203280.5145 2582.2071 0.0000 0.0000 52340.9506 -109268.7006 300.8042 -161609.6513 -108903.4429 300.0121 176.6127 198.1080 759199.3072 -3.0104 -3.1493 PRESSURE: 3702600 145.17 24.4741 -69.8221 24.4742 -154.259 18.3096 -69.8213 18.3087 7.01896 GPRESSURE: 3702600 196.128 80.3251 -104.673 15.0277 -169.172 -66.3828 -166.344 29.7294 93.951 PRESSAVG: 3702600 -0.956248 -7.93081 -10.3184 -7.93084 9.74516 61.1684 -10.3183 61.1683 6.87172 GPRESSAVG: 3702600 0.571922 -7.80298 -9.98759 -6.04844 7.75061 61.271 -13.2265 61.7288 7.24943 TIMING: 3702600 CPU: 11704.9, 0.00316443/step Wall: 11704.9, 0.00316443/step, 1.14042 hours remaining, 238.046875 MB of memory in use. ENERGY: 3702600 3931.9351 20499.1993 14430.8616 246.0991 -203011.1408 2432.9285 0.0000 0.0000 52223.4460 -109246.6713 300.1289 -161470.1173 -108889.2207 299.7559 -0.6901 40.3023 760052.1363 5.2202 5.1907 PRESSURE: 3702800 66.3331 177.84 -104.265 177.839 -215.371 90.6071 -104.265 90.6065 -179.269 GPRESSURE: 3702800 47.417 169.233 -97.356 357.04 -144.172 92.3603 -27.0765 155.152 -137.676 PRESSAVG: 3702800 19.6637 15.4071 -46.3968 15.4071 -37.6168 29.5384 -46.3968 29.5384 10.7541 GPRESSAVG: 3702800 18.6294 13.863 -45.3341 17.9928 -37.2887 29.1983 -45.3431 28.6 11.2118 TIMING: 3702800 CPU: 11705.6, 0.00320359/step Wall: 11705.6, 0.00320359/step, 1.15436 hours remaining, 238.046875 MB of memory in use. ENERGY: 3702800 4019.6078 20506.5999 14394.4386 233.2790 -203443.4620 2531.0700 0.0000 0.0000 52450.8427 -109307.6241 301.4357 -161758.4668 -108946.3083 299.6409 -109.4356 -78.1437 759992.9954 -2.3996 -2.4825 PRESSURE: 3703000 71.6274 104.056 -79.603 104.056 -294.782 287.041 -79.6029 287.041 127.83 GPRESSURE: 3703000 57.6079 153.554 -45.262 82.493 -239.595 239.371 -38.3096 250.992 177.727 PRESSAVG: 3703000 -10.4587 -28.747 1.08543 -28.747 1.83035 -37.3166 1.0855 -37.3166 -18.0978 GPRESSAVG: 3703000 -10.3616 -27.5142 -0.101911 -30.1345 1.52297 -36.0602 2.41371 -39.6999 -18.4325 TIMING: 3703000 CPU: 11706.2, 0.00319599/step Wall: 11706.2, 0.00319599/step, 1.15145 hours remaining, 238.046875 MB of memory in use. ENERGY: 3703000 4005.7278 20572.7244 14367.2287 241.0061 -203428.3906 2603.6818 0.0000 0.0000 52255.1596 -109382.8621 300.3111 -161638.0218 -109020.3450 299.8216 -31.7749 -1.4198 761222.7432 -8.9087 -9.0904 PRESSURE: 3703200 107.636 82.5159 65.0165 82.5164 106.138 21.6935 65.0162 21.6933 312.045 GPRESSURE: 3703200 83.1891 158.632 28.6711 121.02 218.441 37.6804 40.2471 13.0594 317.931 PRESSAVG: 3703200 13.1446 19.4506 -48.4765 19.4506 -16.5299 -18.9126 -48.4766 -18.9127 -13.9186 GPRESSAVG: 3703200 12.8922 19.2055 -47.7376 19.9833 -16.7728 -20.2899 -48.0973 -17.0129 -13.2176 TIMING: 3703200 CPU: 11706.8, 0.00317779/step Wall: 11706.8, 0.00317779/step, 1.14471 hours remaining, 238.046875 MB of memory in use. ENERGY: 3703200 4020.7947 20580.0914 14345.4530 229.3714 -203426.0553 2778.5289 0.0000 0.0000 52257.9501 -109213.8659 300.3272 -161471.8160 -108840.2017 300.1445 175.2732 206.5203 762326.6851 -5.7680 -5.6994 PRESSURE: 3703400 -44.3051 11.4758 -15.4045 11.476 -136.511 -328.958 -15.4048 -328.958 -551.79 GPRESSURE: 3703400 -61.1285 27.1012 21.3657 37.8942 -76.0072 -250.63 -64.901 -190.012 -488.922 PRESSAVG: 3703400 33.619 30.9535 -21.4138 30.9535 -12.73 35.6083 -21.4138 35.6083 -4.57659 GPRESSAVG: 3703400 34.5838 31.6088 -22.1147 27.6492 -12.5054 36.7194 -20.7772 36.6874 -5.84606 TIMING: 3703400 CPU: 11707.5, 0.00316949/step Wall: 11707.5, 0.00316949/step, 1.14155 hours remaining, 238.046875 MB of memory in use. ENERGY: 3703400 3937.8714 20667.0446 14398.8993 255.3988 -203254.4485 2482.4007 0.0000 0.0000 52279.4592 -109233.3745 300.4508 -161512.8337 -108882.2033 299.6315 -244.2022 -208.6859 764058.0447 5.4375 5.4108 PRESSURE: 3703600 304.114 24.8967 -99.2889 24.8961 68.8841 174.292 -99.289 174.292 171.554 GPRESSURE: 3703600 383.975 22.9951 -71.714 26.8083 39.7376 215.541 -49.1222 100.078 215.821 PRESSAVG: 3703600 58.2324 -12.5 51.4116 -12.5001 -19.4557 28.8884 51.4116 28.8884 9.92628 GPRESSAVG: 3703600 57.8194 -13.7065 53.2389 -10.4788 -19.0983 29.4854 50.0406 27.8028 10.4284 TIMING: 3703600 CPU: 11708.1, 0.00317146/step Wall: 11708.1, 0.00317146/step, 1.14208 hours remaining, 238.046875 MB of memory in use. ENERGY: 3703600 3994.8097 20542.9528 14419.3505 241.0912 -203290.1616 2688.8376 0.0000 0.0000 52299.6210 -109103.4987 300.5666 -161403.1197 -108751.3920 299.8449 181.5174 213.1779 762558.1294 16.2343 16.3832 PRESSURE: 3703800 20.6126 96.8634 116.541 96.8629 -290.391 -131.997 116.54 -131.997 175.399 GPRESSURE: 3703800 50.5356 29.9513 23.1818 26.6795 -292.196 -97.9543 140.727 -105.939 193.113 PRESSAVG: 3703800 44.1706 -9.34616 -3.88101 -9.34617 -32.8223 -19.3356 -3.88101 -19.3357 7.46846 GPRESSAVG: 3703800 42.9189 -8.01394 -5.48886 -13.4733 -32.2909 -21.2711 -1.40222 -15.2894 8.23161 TIMING: 3703800 CPU: 11708.7, 0.00317662/step Wall: 11708.7, 0.00317662/step, 1.14376 hours remaining, 238.046875 MB of memory in use. ENERGY: 3703800 4086.6414 20553.0603 14401.7379 259.0237 -203106.6479 2421.7630 0.0000 0.0000 52103.5946 -109280.8270 299.4401 -161384.4216 -108920.9533 299.7525 -31.4598 -16.1824 761271.4649 6.2723 6.2865 PRESSURE: 3704000 -96.4304 -21.8372 37.5942 -21.8375 -52.3591 187.416 37.594 187.416 11.6585 GPRESSURE: 3704000 -2.80192 -39.6859 71.3057 -60.9984 -12.2808 95.6036 -83.0267 65.7856 -44.9566 PRESSAVG: 3704000 45.8688 -45.0185 53.601 -45.0185 -60.8228 -42.3558 53.601 -42.3559 6.18817 GPRESSAVG: 3704000 47.275 -46.434 53.8067 -41.1618 -61.7047 -40.492 51.7202 -44.796 5.60788 TIMING: 3704000 CPU: 11709.4, 0.00317663/step Wall: 11709.4, 0.00317663/step, 1.14359 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3704000 4012.7168 20643.4010 14397.7793 244.4287 -203218.2539 2365.4005 0.0000 0.0000 52444.6176 -109109.9100 301.3999 -161554.5276 -108740.9226 299.7407 -45.7103 -20.0131 760519.7687 -2.9219 -2.9406 PRESSURE: 3704200 -80.8515 19.1338 39.0797 19.1342 20.11 -64.9222 39.079 -64.9229 -253.468 GPRESSURE: 3704200 -69.5117 32.5044 86.8337 6.94096 74.4917 -106.299 110.319 -47.5883 -251.558 PRESSAVG: 3704200 -39.2743 0.0926898 5.48949 0.0926749 -17.3992 -30.6896 5.48946 -30.6897 4.22749 GPRESSAVG: 3704200 -39.1556 1.12702 7.59568 -1.98151 -17.5402 -32.5006 3.73036 -31.1679 4.2026 TIMING: 3704200 CPU: 11710, 0.00317858/step Wall: 11710, 0.00317858/step, 1.14411 hours remaining, 238.046875 MB of memory in use. ENERGY: 3704200 4041.6978 20660.2213 14417.0981 247.4789 -203075.3174 2468.4584 0.0000 0.0000 52024.0836 -109216.2793 298.9831 -161240.3629 -108847.5353 300.5368 -104.7364 -82.1928 761592.4560 -17.4820 -17.4977 LDB: ============= START OF LOAD BALANCING ============== 11722.4 LDB: ============== END OF LOAD BALANCING =============== 11722.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11722.4 LDB: ============= START OF LOAD BALANCING ============== 11722.7 LDB: Largest compute 7034 load 0.032004 is 16.3% of average load 0.196113 LDB: Average compute 0.004388 is 2.2% of average load 0.196113 LDB: TIME 11722.7 LOAD: AVG 0.196113 MAX 0.215621 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 11722.7 LOAD: AVG 0.196113 MAX 0.215621 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 11722.7 LOAD: AVG 0.196113 MAX 0.215621 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 11722.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11722.7 PRESSURE: 3704400 -173.685 -157.086 -165.132 -157.086 -273.38 59.4142 -165.131 59.4146 94.8041 GPRESSURE: 3704400 -86.0119 -148.932 -146.151 -250.382 -198.331 130.881 -191.642 69.1452 28.729 PRESSAVG: 3704400 16.2698 -16.4227 14.2597 -16.4227 16.2379 -1.99454 14.2597 -1.99454 14.4315 GPRESSAVG: 3704400 14.4018 -14.9777 11.7406 -15.4287 16.2259 -1.15466 15.6069 -2.40956 16.1178 TIMING: 3704400 CPU: 11710.6, 0.00324181/step Wall: 11710.6, 0.00324181/step, 1.16669 hours remaining, 238.410156 MB of memory in use. ENERGY: 3704400 3986.8325 20570.6359 14440.8303 244.4748 -203215.1924 2521.9811 0.0000 0.0000 52035.4007 -109415.0371 299.0482 -161450.4378 -109057.4485 299.6406 -117.4203 -85.2046 760531.3143 15.6464 15.5818 PRESSURE: 3704600 -21.6122 29.1167 64.2397 29.1159 134.723 -440.621 64.2397 -440.62 -6.05978 GPRESSURE: 3704600 19.5052 50.4821 -0.610382 112.938 144.773 -433.815 20.2686 -266.775 29.9866 PRESSAVG: 3704600 13.1539 -21.7623 8.51064 -21.7622 -25.462 5.25845 8.51062 5.25847 -16.9577 GPRESSAVG: 3704600 13.0682 -24.562 7.36441 -21.2608 -24.4517 4.37378 8.6853 6.58211 -18.0024 TIMING: 3704600 CPU: 11711.3, 0.00317037/step Wall: 11711.3, 0.00317037/step, 1.14081 hours remaining, 238.613281 MB of memory in use. ENERGY: 3704600 4023.6024 20515.1016 14410.1393 226.0432 -203669.9932 2755.4565 0.0000 0.0000 52095.9335 -109643.7167 299.3960 -161739.6502 -109278.4484 298.8619 35.6836 64.7550 761726.7069 -9.7553 -9.7953 PRESSURE: 3704800 74.5653 -58.1382 77.1266 -58.1383 -110.255 89.7929 77.1267 89.7934 -362.552 GPRESSURE: 3704800 39.3486 6.59249 44.9186 -61.7073 -77.624 111.819 123.909 68.3541 -274.585 PRESSAVG: 3704800 0.108957 -13.6329 -6.0436 -13.6329 13.8659 -64.0499 -6.04363 -64.0499 -1.2887 GPRESSAVG: 3704800 0.304297 -12.6754 -4.05996 -13.1264 12.7975 -64.3519 -5.40331 -63.8583 -0.669975 TIMING: 3704800 CPU: 11711.9, 0.00316545/step Wall: 11711.9, 0.00316545/step, 1.13886 hours remaining, 238.613281 MB of memory in use. ENERGY: 3704800 3972.2185 20481.1026 14338.2685 269.9250 -203176.4512 2376.6503 0.0000 0.0000 51975.7460 -109762.5403 298.7053 -161738.2863 -109395.4461 298.6795 -132.7474 -104.2868 762094.2128 4.2287 4.1439 PRESSURE: 3705000 401.123 89.031 -248.051 89.0306 49.5299 30.8975 -248.051 30.8983 47.124 GPRESSURE: 3705000 426.911 101.145 -235.813 77.2028 85.8547 -4.44475 -181.553 33.2377 81.8223 PRESSAVG: 3705000 32.0431 62.1114 -7.79133 62.1115 21.3186 -26.7851 -7.79132 -26.7851 11.1028 GPRESSAVG: 3705000 33.2602 62.1674 -7.9301 62.579 21.5964 -25.0928 -7.06546 -26.4318 9.79185 TIMING: 3705000 CPU: 11712.5, 0.00315053/step Wall: 11712.5, 0.00315053/step, 1.13331 hours remaining, 238.613281 MB of memory in use. ENERGY: 3705000 3964.3062 20415.7448 14384.5776 262.0320 -203669.0460 2765.4029 0.0000 0.0000 52108.4755 -109768.5070 299.4681 -161876.9824 -109401.3525 298.7826 165.9256 198.1959 760334.0346 21.4882 21.5495 PRESSURE: 3705200 -393.697 48.6665 319.625 48.6661 -37.9735 190.69 319.624 190.691 -73.5897 GPRESSURE: 3705200 -374.324 41.0772 333.335 150.905 -7.48269 93.1237 278.605 178.652 -51.2399 PRESSAVG: 3705200 -22.589 1.02299 5.93991 1.02296 7.03588 -68.5104 5.93994 -68.5104 -24.2319 GPRESSAVG: 3705200 -22.3123 0.141222 4.39753 0.89489 7.44034 -69.248 3.21569 -69.5781 -24.8189 TIMING: 3705200 CPU: 11713.2, 0.00315432/step Wall: 11713.2, 0.00315432/step, 1.1345 hours remaining, 238.613281 MB of memory in use. ENERGY: 3705200 3986.0304 20597.8189 14308.1516 248.6582 -203279.4263 2500.9471 0.0000 0.0000 51811.0477 -109826.7723 297.7588 -161637.8200 -109481.1441 298.5988 -168.4201 -144.3489 761509.4297 -13.2617 -13.2303 PRESSURE: 3705400 -95.2574 98.474 -244.833 98.474 297.069 -67.2203 -244.833 -67.2199 -184.521 GPRESSURE: 3705400 0.581965 120.526 -240.347 100.524 253.213 -63.7947 -216.106 -25.707 -153.709 PRESSAVG: 3705400 24.7915 -19.5326 -3.74523 -19.5326 -10.7611 25.701 -3.7452 25.701 -20.816 GPRESSAVG: 3705400 22.0906 -17.5254 -2.81694 -20.8258 -10.4608 25.9824 -2.337 25.7138 -18.5361 TIMING: 3705400 CPU: 11713.8, 0.00314278/step Wall: 11713.8, 0.00314278/step, 1.13018 hours remaining, 238.613281 MB of memory in use. ENERGY: 3705400 3913.1503 20519.5250 14448.9058 234.5396 -203213.4894 2511.7818 0.0000 0.0000 51630.0823 -109955.5046 296.7188 -161585.5868 -109595.5490 298.6058 5.7637 33.3621 760300.6620 -2.2619 -2.3021 PRESSURE: 3705600 -158.909 -25.4437 185.783 -25.444 85.7255 9.74502 185.783 9.74574 -221.554 GPRESSURE: 3705600 -108.916 -24.4526 218.013 36.0198 73.5035 -35.1028 100.69 -132.183 -134.447 PRESSAVG: 3705600 -12.6369 -8.38649 -11.0014 -8.38641 36.493 -14.3881 -11.0014 -14.388 -10.7525 GPRESSAVG: 3705600 -11.9098 -8.51122 -9.73845 -8.06398 35.1839 -12.5417 -11.6046 -13.7588 -10.0879 TIMING: 3705600 CPU: 11714.4, 0.00316134/step Wall: 11714.4, 0.00316134/step, 1.13668 hours remaining, 238.613281 MB of memory in use. ENERGY: 3705600 3973.4944 20410.9692 14303.8090 234.1457 -203164.5982 2650.8799 0.0000 0.0000 51828.8003 -109762.4997 297.8608 -161591.3000 -109404.5408 298.2737 -98.2459 -56.6200 761655.7209 4.3678 4.3954 PRESSURE: 3705800 -228.146 28.7661 124.735 28.7665 180.269 70.5796 124.735 70.5798 -272.748 GPRESSURE: 3705800 -116.933 109.02 169.782 21.9025 202.525 95.9669 87.5688 -12.2076 -317.796 PRESSAVG: 3705800 22.379 3.12003 7.43551 3.12 7.05188 -43.1025 7.43549 -43.1024 -26.5398 GPRESSAVG: 3705800 22.7587 3.69012 6.72016 1.70773 7.94556 -46.3066 6.44302 -43.8088 -27.8976 TIMING: 3705800 CPU: 11715.1, 0.00318125/step Wall: 11715.1, 0.00318125/step, 1.14366 hours remaining, 238.613281 MB of memory in use. ENERGY: 3705800 3955.9878 20437.3083 14348.0817 244.8726 -203089.8672 2314.1774 0.0000 0.0000 52090.9782 -109698.4611 299.3676 -161789.4393 -109329.2474 298.4436 -106.8751 -77.4012 762797.5780 0.9637 0.9355 PRESSURE: 3706000 109.838 -143.941 1.51812 -143.942 -157.871 -12.971 1.51796 -12.9698 -74.4603 GPRESSURE: 3706000 123.136 -186.273 26.4624 -68.2658 -167.708 -121.51 20.5881 194.536 0.472266 PRESSAVG: 3706000 11.7226 -4.67375 -8.99456 -4.67379 -30.7316 25.2475 -8.99455 25.2475 15.6274 GPRESSAVG: 3706000 12.7351 -6.96908 -8.75754 -1.94615 -32.233 25.6726 -7.34004 25.495 15.9958 TIMING: 3706000 CPU: 11715.7, 0.00319406/step Wall: 11715.7, 0.00319406/step, 1.14809 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3706000 3958.9932 20450.9236 14389.7310 239.6252 -203719.0675 2719.4489 0.0000 0.0000 51927.5670 -110032.7786 298.4284 -161960.3457 -109672.3325 298.4260 -40.8311 -14.6998 762133.9099 -1.1272 -1.1674 PRESSURE: 3706200 -56.2898 -23.6452 -142.707 -23.6452 123.57 -129.107 -142.707 -129.107 -21.6324 GPRESSURE: 3706200 7.95273 -85.5939 -121.195 -143.381 141.031 -88.8917 -172.325 -206.335 -10.9443 PRESSAVG: 3706200 23.85 -8.85451 23.7016 -8.85449 -23.1542 15.5222 23.7017 15.5221 5.28704 GPRESSAVG: 3706200 25.0706 -6.89618 23.1249 -9.89061 -23.8635 16.3521 23.5816 14.0467 4.91894 TIMING: 3706200 CPU: 11716.4, 0.00318312/step Wall: 11716.4, 0.00318312/step, 1.14398 hours remaining, 238.613281 MB of memory in use. ENERGY: 3706200 3880.1318 20624.8768 14464.0943 243.1768 -203629.8943 2469.2538 0.0000 0.0000 51931.1694 -110017.1914 298.4491 -161948.3608 -109652.6837 298.0088 15.2158 46.0132 760876.8436 1.9943 2.0420 PRESSURE: 3706400 56.7259 92.7838 -128.8 92.7843 -72.683 -33.6818 -128.8 -33.6816 -50.8324 GPRESSURE: 3706400 55.9982 7.87436 -165.127 39.1192 22.7698 58.2671 56.5884 -90.3509 -55.8557 PRESSAVG: 3706400 39.0141 31.8748 6.46628 31.8748 -52.9688 -16.5525 6.46635 -16.5524 -7.32301 GPRESSAVG: 3706400 37.4279 30.9937 6.12451 32.1117 -50.4705 -18.0915 7.77354 -17.4459 -7.82308 TIMING: 3706400 CPU: 11717, 0.00317479/step Wall: 11717, 0.00317479/step, 1.14081 hours remaining, 238.613281 MB of memory in use. ENERGY: 3706400 4074.1968 20423.2299 14391.6393 238.2039 -203102.2120 2395.3997 0.0000 0.0000 51911.3976 -109668.1448 298.3355 -161579.5424 -109307.8104 298.1786 -22.2631 7.6375 760493.9920 -7.0926 -6.9552 PRESSURE: 3706600 -172.089 19.8318 49.4831 19.8314 -247.31 -366.234 49.4831 -366.233 77.3376 GPRESSURE: 3706600 -164.264 78.3644 68.7374 65.2105 -159.213 -321.632 85.1555 -179.633 83.0448 PRESSAVG: 3706600 12.7875 30.8082 6.46658 30.8082 35.4482 -15.6591 6.4666 -15.6592 0.410275 GPRESSAVG: 3706600 12.124 32.5232 7.73888 28.8194 35.2154 -13.6913 5.09849 -14.4913 1.13472 TIMING: 3706600 CPU: 11717.6, 0.00315508/step Wall: 11717.6, 0.00315508/step, 1.13355 hours remaining, 238.613281 MB of memory in use. ENERGY: 3706600 4019.4176 20556.3390 14452.5100 252.9830 -203247.3108 2423.6047 0.0000 0.0000 51697.6636 -109844.7930 297.1072 -161542.4565 -109480.0401 298.5965 -114.0205 -80.1441 761020.4336 16.2153 16.1580 PRESSURE: 3706800 -52.2869 237.405 4.80877 237.405 -397.618 -46.1716 4.80881 -46.1715 7.05558 GPRESSURE: 3706800 -56.3756 114.309 17.1837 224.005 -323.018 19.4288 21.3578 -55.958 23.4829 PRESSAVG: 3706800 -9.39573 8.86455 -0.025029 8.86451 38.5465 51.2044 -0.0250633 51.2044 -1.04381 GPRESSAVG: 3706800 -8.10728 7.65988 -1.07795 11.266 38.0727 50.868 1.79415 50.9411 -1.92944 TIMING: 3706800 CPU: 11718.2, 0.00315065/step Wall: 11718.2, 0.00315065/step, 1.13178 hours remaining, 238.613281 MB of memory in use. ENERGY: 3706800 3976.3406 20421.9601 14385.9043 227.0217 -203734.9545 2715.8721 0.0000 0.0000 51949.7695 -110058.0863 298.5560 -162007.8558 -109694.3486 297.9868 -147.6165 -118.6370 759795.1145 9.3690 9.3453 PRESSURE: 3707000 -87.5346 -10.7901 53.9833 -10.7891 -89.881 75.2985 53.9837 75.2978 224.086 GPRESSURE: 3707000 -115.52 6.62321 97.4479 -17.3663 33.0679 79.7698 -60.4413 110.798 224.816 PRESSAVG: 3707000 -15.9396 9.83016 -9.41471 9.8302 56.1292 -13.3609 -9.4147 -13.3609 -20.4943 GPRESSAVG: 3707000 -15.9058 9.63254 -9.00376 8.86137 56.4044 -15.4714 -13.1254 -11.7674 -20.4161 TIMING: 3707000 CPU: 11718.9, 0.00314403/step Wall: 11718.9, 0.00314403/step, 1.12923 hours remaining, 238.613281 MB of memory in use. ENERGY: 3707000 3909.1749 20441.3597 14383.8823 240.5425 -203397.3872 2567.7155 0.0000 0.0000 51715.9534 -110138.7589 297.2123 -161854.7123 -109777.5300 298.0973 15.5568 47.4545 760321.5408 6.5651 6.6942 PRESSURE: 3707200 27.4498 -163.646 -69.2185 -163.647 27.1749 201.318 -69.2198 201.317 106.356 GPRESSURE: 3707200 19.9311 -135.547 -150.551 -188 103.816 115.109 169.952 182.533 117.39 PRESSAVG: 3707200 30.3033 25.9831 1.1227 25.9831 -32.1482 23.5168 1.12268 23.5168 16.504 GPRESSAVG: 3707200 29.6134 26.2037 1.205 28.2792 -32.4161 25.3678 0.806067 21.7303 18.0463 TIMING: 3707200 CPU: 11719.5, 0.00315334/step Wall: 11719.5, 0.00315334/step, 1.1324 hours remaining, 238.613281 MB of memory in use. ENERGY: 3707200 3975.5088 20425.7561 14400.6623 257.7597 -203576.4798 2623.1775 0.0000 0.0000 51806.8893 -110086.7261 297.7349 -161893.6154 -109720.6690 297.5695 53.6603 80.3790 762439.4931 4.8864 5.0812 PRESSURE: 3707400 -155.276 -96.6086 -53.572 -96.609 133.233 -136.853 -53.5712 -136.853 268.477 GPRESSURE: 3707400 -32.5441 -134.39 6.83437 -145.699 189.908 -118.15 -79.3083 -78.7411 187.406 PRESSAVG: 3707400 -8.52431 -33.1601 -29.9901 -33.1601 54.0016 24.1625 -29.99 24.1624 7.65006 GPRESSAVG: 3707400 -7.7514 -34.7305 -29.3458 -33.6096 54.4879 24.4021 -25.8122 25.2093 6.96654 TIMING: 3707400 CPU: 11720.1, 0.00315712/step Wall: 11720.1, 0.00315712/step, 1.13358 hours remaining, 238.613281 MB of memory in use. ENERGY: 3707400 3882.7976 20504.7295 14485.8846 244.7199 -203289.0125 2693.2166 0.0000 0.0000 51612.3495 -109865.3148 296.6169 -161477.6643 -109512.0280 297.9620 82.1446 114.9231 761552.7040 17.7091 17.9010 PRESSURE: 3707600 79.3743 102.328 -158.219 102.327 -91.5487 -233.451 -158.22 -233.452 18.3995 GPRESSURE: 3707600 63.3174 42.4141 -129.89 -34.7814 -53.7879 -119.554 -59.903 -227.006 92.0388 PRESSAVG: 3707600 64.1083 -15.9321 2.44359 -15.9321 -7.91138 -5.60684 2.44355 -5.60681 2.82049 GPRESSAVG: 3707600 64.8354 -16.1542 1.80489 -18.7126 -8.44696 -7.38785 -1.2447 -4.68872 2.33845 TIMING: 3707600 CPU: 11720.8, 0.00317358/step Wall: 11720.8, 0.00317358/step, 1.13932 hours remaining, 238.613281 MB of memory in use. ENERGY: 3707600 4010.5509 20401.1370 14457.8741 236.8565 -203229.7512 2482.1290 0.0000 0.0000 52018.3879 -109622.8157 298.9504 -161641.2036 -109271.8695 298.2501 2.0750 33.8561 762074.6143 19.6725 19.5756 PRESSURE: 3707800 -433.475 -109.552 83.1104 -109.552 -48.0302 -130.058 83.1101 -130.06 154.707 GPRESSURE: 3707800 -320.665 -53.4191 88.5638 -69.5138 -88.6327 -188.414 -59.8303 -298.391 149.765 PRESSAVG: 3707800 -20.2053 -2.12819 -47.121 -2.12827 23.3615 5.18606 -47.1209 5.18601 5.58708 GPRESSAVG: 3707800 -21.1582 -1.21941 -46.658 0.430035 24.2217 6.66635 -46.1679 5.11991 5.78893 TIMING: 3707800 CPU: 11721.4, 0.00313539/step Wall: 11721.4, 0.00313539/step, 1.12543 hours remaining, 238.613281 MB of memory in use. ENERGY: 3707800 4014.3635 20506.9699 14379.9898 245.0252 -203314.5266 2548.0416 0.0000 0.0000 52222.6609 -109397.4757 300.1244 -161620.1366 -109035.2590 298.9821 -108.9329 -86.5110 761315.7347 2.9144 2.9508 PRESSURE: 3708000 -400.118 270.045 187.994 270.045 -255.268 -94.49 187.995 -94.4895 241.449 GPRESSURE: 3708000 -297.578 323.847 240.569 156.269 -250.509 -94.5559 140.133 -114.016 216.366 PRESSAVG: 3708000 -10.4681 -26.8959 -13.2347 -26.8959 -9.21856 -30.1899 -13.2346 -30.1899 20.4776 GPRESSAVG: 3708000 -10.3935 -26.433 -14.0606 -27.9091 -9.78012 -29.7845 -13.6663 -31.2204 21.086 TIMING: 3708000 CPU: 11722, 0.00321582/step Wall: 11722, 0.00321582/step, 1.15412 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3708000 3995.4793 20536.4277 14380.4649 237.7425 -202897.9861 2271.6661 0.0000 0.0000 52051.3011 -109424.9045 299.1395 -161476.2056 -109070.0071 299.3338 -137.9788 -110.5736 761756.3479 0.2637 0.3041 PRESSURE: 3708200 -207.459 -261.811 -247.023 -261.81 -360.781 226.042 -247.022 226.044 327.57 GPRESSURE: 3708200 -271.073 -233.046 -158.583 -215.322 -327.996 154.063 -310.473 205.147 421.003 PRESSAVG: 3708200 40.2195 23.832 11.7246 23.8321 -28.4084 -51.3958 11.7246 -51.3959 -15.1267 GPRESSAVG: 3708200 40.2844 24.9253 12.6557 25.453 -29.1106 -52.0163 12.2158 -50.9983 -14.0366 TIMING: 3708200 CPU: 11722.7, 0.00319789/step Wall: 11722.7, 0.00319789/step, 1.14751 hours remaining, 238.613281 MB of memory in use. ENERGY: 3708200 4014.0570 20535.1411 14418.6763 250.6475 -203390.7518 2599.2843 0.0000 0.0000 52046.0091 -109526.9366 299.1091 -161572.9456 -109170.7491 299.2784 -80.2232 -59.3555 762282.9678 -1.1052 -0.9543 LDB: ============= START OF LOAD BALANCING ============== 11735.1 LDB: ============== END OF LOAD BALANCING =============== 11735.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11735.1 LDB: ============= START OF LOAD BALANCING ============== 11735.4 LDB: Largest compute 7064 load 0.031127 is 15.9% of average load 0.196196 LDB: Average compute 0.004379 is 2.2% of average load 0.196196 LDB: TIME 11735.4 LOAD: AVG 0.196196 MAX 0.213019 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 11735.4 LOAD: AVG 0.196196 MAX 0.213019 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: TIME 11735.4 LOAD: AVG 0.196196 MAX 0.213019 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11735.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11735.4 PRESSURE: 3708400 -290.299 50.4359 207.325 50.4352 115.627 71.2694 207.324 71.2686 -58.3696 GPRESSURE: 3708400 -191.227 83.1053 288.88 -43.2145 178.035 26.5486 121.38 93.8495 -117.239 PRESSAVG: 3708400 15.4116 -25.1565 -37.0472 -25.1564 14.0514 29.986 -37.0472 29.986 10.5312 GPRESSAVG: 3708400 16.3711 -25.2769 -38.1052 -26.6395 13.996 29.3646 -36.6947 29.8045 10.126 TIMING: 3708400 CPU: 11723.3, 0.0032629/step Wall: 11723.3, 0.0032629/step, 1.17066 hours remaining, 237.640625 MB of memory in use. ENERGY: 3708400 3891.1884 20438.0079 14482.8478 255.0263 -203191.9324 2439.6158 0.0000 0.0000 52160.1816 -109525.0645 299.7653 -161685.2462 -109173.4723 299.3465 -77.6804 -43.4772 760412.4148 13.3314 13.4977 PRESSURE: 3708600 -76.5139 0.662909 -56.7683 0.663683 -157.915 124.567 -56.7691 124.567 8.52993 GPRESSURE: 3708600 -64.0774 44.5032 -67.0759 64.4857 -47.4287 200.126 61.1663 112.388 -24.7959 PRESSAVG: 3708600 -30.4494 -42.1737 54.1002 -42.1737 20.9901 -37.3819 54.1002 -37.3818 6.26108 GPRESSAVG: 3708600 -31.9862 -42.2599 55.3542 -41.4025 22.6652 -37.65 55.2507 -37.9143 5.7785 TIMING: 3708600 CPU: 11724, 0.0031568/step Wall: 11724, 0.0031568/step, 1.13241 hours remaining, 237.640625 MB of memory in use. ENERGY: 3708600 3984.2700 20512.6679 14511.4306 254.1343 -203324.7273 2740.7041 0.0000 0.0000 52147.2077 -109174.3128 299.6907 -161321.5205 -108812.0208 299.4453 -75.2997 -45.4340 760891.8595 -1.0661 -1.1808 PRESSURE: 3708800 161.515 -57.8421 -2.59646 -57.8418 -250.852 97.4112 -2.59718 97.4108 194.984 GPRESSURE: 3708800 245.971 -58.2134 -5.99743 -89.6233 -280.721 115.814 -177.16 -0.651879 229.454 PRESSAVG: 3708800 -1.26737 -95.0288 35.5128 -95.0287 -7.62861 -34.3429 35.5128 -34.3428 6.89437 GPRESSAVG: 3708800 -0.881556 -97.5136 35.7446 -96.8067 -9.23022 -33.2018 34.389 -32.8017 7.61484 TIMING: 3708800 CPU: 11724.6, 0.00315718/step Wall: 11724.6, 0.00315718/step, 1.13237 hours remaining, 237.640625 MB of memory in use. ENERGY: 3708800 3970.4656 20654.5769 14433.2588 238.8167 -203093.4858 2363.9005 0.0000 0.0000 52194.2854 -109238.1820 299.9613 -161432.4674 -108877.4776 299.9174 35.2157 64.9013 762303.5204 -0.6672 -0.8323 PRESSURE: 3709000 -23.0445 -118.302 -184.908 -118.302 -205.808 -16.6157 -184.909 -16.6155 -185.855 GPRESSURE: 3709000 74.6509 20.7934 -141.406 -140.536 -181.211 13.1181 -160.904 21.061 -240.313 PRESSAVG: 3709000 28.001 -44.4742 -37.4285 -44.4742 -24.8937 -20.4103 -37.4285 -20.4102 6.19767 GPRESSAVG: 3709000 29.038 -43.1507 -36.6469 -43.0511 -25.0712 -20.5829 -37.515 -19.3069 5.08332 TIMING: 3709000 CPU: 11725.2, 0.00315088/step Wall: 11725.2, 0.00315088/step, 1.12994 hours remaining, 237.640625 MB of memory in use. ENERGY: 3709000 3967.5095 20808.7995 14459.3044 243.3380 -203605.6068 2892.8423 0.0000 0.0000 52195.6347 -109038.1784 299.9690 -161233.8131 -108673.8204 299.8054 -138.2361 -115.6244 760784.1803 3.1017 3.0167 PRESSURE: 3709200 -104.746 113.911 -103.159 113.91 33.6248 330.253 -103.158 330.255 -234.869 GPRESSURE: 3709200 -125.097 202.024 -71.1909 137.634 14.4754 245.797 -129.856 336.769 -110.998 PRESSAVG: 3709200 69.3587 -56.4379 -51.5019 -56.4379 -45.0571 -6.89716 -51.5018 -6.89725 -7.98262 GPRESSAVG: 3709200 68.7241 -55.6766 -53.0895 -57.4382 -44.2514 -7.518 -51.5573 -7.27229 -7.85721 TIMING: 3709200 CPU: 11725.9, 0.00316408/step Wall: 11725.9, 0.00316407/step, 1.1345 hours remaining, 237.640625 MB of memory in use. ENERGY: 3709200 4024.4391 20519.1757 14408.1529 270.4559 -203552.7780 2885.9935 0.0000 0.0000 52162.2847 -109282.2762 299.7774 -161444.5609 -108928.3193 300.1151 -101.9967 -73.8731 760952.3374 5.4397 5.5385 PRESSURE: 3709400 51.1846 -69.7725 -9.05827 -69.7729 -52.9382 61.2984 -9.05811 61.2982 235.107 GPRESSURE: 3709400 88.9374 11.3662 31.4815 -58.6394 -35.858 46.3595 -18.2883 150.917 279.124 PRESSAVG: 3709400 -2.56033 -16.1913 8.20134 -16.1913 -12.6434 23.3355 8.20139 23.3354 10.4836 GPRESSAVG: 3709400 -2.53119 -18.4422 9.64903 -14.3394 -13.0606 23.0919 7.76027 23.9303 11.135 TIMING: 3709400 CPU: 11726.5, 0.00314431/step Wall: 11726.5, 0.00314431/step, 1.12724 hours remaining, 237.640625 MB of memory in use. ENERGY: 3709400 3951.4822 20424.3612 14404.1175 236.3701 -203306.9428 2584.8567 0.0000 0.0000 52236.9707 -109468.7844 300.2066 -161705.7551 -109101.5327 299.1650 77.7845 110.7345 762755.6056 -1.5734 -1.4856 PRESSURE: 3709600 -83.94 -50.3642 50.6353 -50.3651 29.216 -178.619 50.6359 -178.617 -350.404 GPRESSURE: 3709600 5.32183 -93.4181 -7.23443 -21.2934 14.8032 -184.986 44.4172 -250.415 -332.923 PRESSAVG: 3709600 10.0865 18.1887 13.6722 18.1887 -29.2674 -33.0245 13.6723 -33.0245 6.31652 GPRESSAVG: 3709600 9.20337 19.887 12.5309 16.5187 -29.0995 -32.8198 13.0408 -33.6444 6.46532 TIMING: 3709600 CPU: 11727.1, 0.00314574/step Wall: 11727.1, 0.00314574/step, 1.12757 hours remaining, 237.640625 MB of memory in use. ENERGY: 3709600 3967.6162 20538.8653 14403.6230 253.3574 -203184.5883 2667.5718 0.0000 0.0000 51899.2381 -109454.3165 298.2656 -161353.5546 -109091.2010 299.1098 -135.0426 -104.2661 762386.4535 -4.2881 -4.4769 PRESSURE: 3709800 142.609 114.078 -26.7174 114.077 19.5126 -153.435 -26.7169 -153.436 198.943 GPRESSURE: 3709800 164.731 64.9741 6.43738 157.644 70.3475 -183.082 -16.1871 -99.3688 207.334 PRESSAVG: 3709800 -10.1885 27.7605 50.284 27.7604 20.8756 4.67907 50.284 4.679 -2.32979 GPRESSAVG: 3709800 -8.64276 25.8227 52.0596 29.287 19.9899 4.57262 50.3924 3.29357 -2.70799 TIMING: 3709800 CPU: 11727.7, 0.00314392/step Wall: 11727.7, 0.00314392/step, 1.12675 hours remaining, 237.640625 MB of memory in use. ENERGY: 3709800 3973.9430 20328.6270 14429.2556 251.4137 -202697.8629 2213.1038 0.0000 0.0000 52075.3348 -109426.1850 299.2777 -161501.5198 -109065.9489 299.0130 120.3546 147.4709 761946.6345 2.7858 2.8797 PRESSURE: 3710000 -396.134 355.833 -123.827 355.832 -108.125 -80.1403 -123.826 -80.1397 -74.3739 GPRESSURE: 3710000 -246.926 274.14 -185.089 233.497 -137.875 -163.455 -141.53 -60.8781 -117.536 PRESSAVG: 3710000 29.7633 -4.1179 -7.09062 -4.11797 -28.6245 -11.4753 -7.09064 -11.4753 -5.90435 GPRESSAVG: 3710000 29.7864 -1.70115 -8.58278 -5.30865 -27.8573 -12.6031 -5.28367 -10.6139 -6.81969 TIMING: 3710000 CPU: 11728.4, 0.00316365/step Wall: 11728.4, 0.00316365/step, 1.13364 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3710000 3946.4122 20298.8671 14465.4538 246.8834 -202650.9853 2151.3835 0.0000 0.0000 52162.3689 -109379.6164 299.7779 -161541.9853 -109017.9456 298.9359 -192.8777 -167.4457 760992.7769 -1.5885 -1.6302 PRESSURE: 3710200 -22.1898 -199.434 77.6728 -199.433 6.14276 119.342 77.672 119.342 226.159 GPRESSURE: 3710200 56.5095 -109.363 35.2368 -226.212 -7.73896 93.0788 123.262 99.3516 252.826 PRESSAVG: 3710200 16.3418 12.1022 28.8482 12.1022 -58.8126 18.3606 28.8483 18.3605 -2.8995 GPRESSAVG: 3710200 15.9598 10.658 26.8125 12.2451 -60.385 19.5853 29.8269 16.9801 -1.56386 TIMING: 3710200 CPU: 11729, 0.00319257/step Wall: 11729, 0.00319255/step, 1.14382 hours remaining, 237.640625 MB of memory in use. ENERGY: 3710200 3999.6141 20511.8484 14540.0810 245.2683 -203263.9174 2661.4982 0.0000 0.0000 51980.6325 -109324.9750 298.7334 -161305.6074 -108966.6731 299.2867 70.0374 100.5323 759884.7865 -15.1235 -15.3297 PRESSURE: 3710400 177.64 12.5867 -98.9611 12.5871 216.041 -142.522 -98.9614 -142.522 358.348 GPRESSURE: 3710400 162.063 14.6901 -74.9885 -25.5406 159.077 -85.2637 -182.131 -106.95 524.576 PRESSAVG: 3710400 12.5002 -1.31245 15.8987 -1.31245 -46.1481 -23.4857 15.8987 -23.4857 -6.75414 GPRESSAVG: 3710400 11.2019 -0.12177 17.2757 -1.33325 -45.1691 -23.6041 15.7702 -22.9661 -6.76961 TIMING: 3710400 CPU: 11729.7, 0.00315911/step Wall: 11729.7, 0.00315912/step, 1.13167 hours remaining, 237.640625 MB of memory in use. ENERGY: 3710400 3927.6354 20499.4190 14524.6729 247.1637 -203088.2317 2601.6091 0.0000 0.0000 51836.0100 -109451.7216 297.9023 -161287.7317 -109083.6694 299.4717 250.6762 281.9053 760539.0014 -13.4673 -13.5789 PRESSURE: 3710600 170.516 -239.334 14.8535 -239.334 279.114 30.6062 14.8537 30.6055 -223.792 GPRESSURE: 3710600 215.491 -210.334 10.3382 -177.1 288.135 32.9139 -54.0032 46.661 -208.857 PRESSAVG: 3710600 14.5604 -21.0689 -31.5526 -21.0688 -33.8669 -14.6528 -31.5527 -14.6527 1.07568 GPRESSAVG: 3710600 15.6659 -20.3239 -30.1993 -22.181 -33.8662 -13.6124 -33.7942 -16.0846 0.301076 TIMING: 3710600 CPU: 11730.3, 0.00315958/step Wall: 11730.3, 0.00315958/step, 1.13166 hours remaining, 237.640625 MB of memory in use. ENERGY: 3710600 3906.6832 20307.7634 14528.2646 239.2537 -203347.6653 2756.3435 0.0000 0.0000 52118.1348 -109491.2221 299.5236 -161609.3570 -109126.8857 298.8626 75.2792 98.2562 760782.9530 -6.0769 -5.9664 PRESSURE: 3710800 -29.3265 -283.672 -165.371 -283.672 -64.5738 -27.3103 -165.371 -27.3106 -460.902 GPRESSURE: 3710800 -48.6959 -176.965 -112.562 -352.953 -62.459 -75.9334 -38.4265 12.1448 -352.288 PRESSAVG: 3710800 20.3646 -21.596 14.5381 -21.5959 25.9675 -23.325 14.5381 -23.325 2.66483 GPRESSAVG: 3710800 19.9909 -22.0534 14.4359 -19.9641 26.5748 -24.4856 15.9059 -21.3557 1.79661 TIMING: 3710800 CPU: 11730.9, 0.00317983/step Wall: 11730.9, 0.00317983/step, 1.13873 hours remaining, 237.640625 MB of memory in use. ENERGY: 3710800 3988.8401 20356.3072 14428.6431 250.3578 -203429.7015 2770.8893 0.0000 0.0000 52187.1254 -109447.5386 299.9201 -161634.6640 -109087.0614 299.3365 -184.9343 -154.4811 760648.5466 16.3323 16.1208 PRESSURE: 3711000 -71.6756 45.0906 160.582 45.09 147.809 101.32 160.581 101.321 81.4081 GPRESSURE: 3711000 -55.9862 32.292 120.231 29.8105 183.544 86.0679 146.227 43.6151 105.549 PRESSAVG: 3711000 -17.5842 -39.1097 3.26084 -39.1097 -4.35281 -1.50421 3.26084 -1.50422 3.27869 GPRESSAVG: 3711000 -18.7279 -38.3221 2.5775 -38.6579 -3.79502 -0.138556 2.31902 -2.83514 4.086 TIMING: 3711000 CPU: 11731.6, 0.00317423/step Wall: 11731.6, 0.00317423/step, 1.13655 hours remaining, 237.640625 MB of memory in use. ENERGY: 3711000 3964.3973 20361.2315 14478.7375 234.3752 -202649.3810 2260.8893 0.0000 0.0000 51941.3290 -109408.4211 298.5075 -161349.7501 -109042.0103 298.6630 52.5137 77.7021 762658.3739 -6.2195 -6.1456 PRESSURE: 3711200 73.6008 -154.145 -97.0722 -154.145 9.79893 -78.4324 -97.0725 -78.4315 1.41249 GPRESSURE: 3711200 45.8659 -252.076 -109.201 -217.084 35.6727 -36.5694 -9.47312 -117.662 72.5856 PRESSAVG: 3711200 -26.868 -40.0822 -33.6283 -40.0821 11.7756 -23.9147 -33.6282 -23.9146 6.147 GPRESSAVG: 3711200 -25.2135 -39.1969 -34.7177 -42.042 10.6267 -25.1107 -31.4897 -22.0192 6.3807 TIMING: 3711200 CPU: 11732.2, 0.00318625/step Wall: 11732.2, 0.00318625/step, 1.14068 hours remaining, 237.640625 MB of memory in use. ENERGY: 3711200 3977.4387 20554.7442 14370.9411 250.8046 -203177.8663 2542.4488 0.0000 0.0000 51836.7747 -109644.7142 297.9067 -161481.4888 -109285.0622 298.5584 28.2707 51.3747 761193.6166 -2.9818 -2.7354 PRESSURE: 3711400 131.418 73.9222 -103.74 73.9224 -101.77 30.8429 -103.74 30.8425 91.5929 GPRESSURE: 3711400 151.877 78.1079 -185.041 4.03814 11.4285 53.4934 -130.95 -57.4655 47.9163 PRESSAVG: 3711400 27.1775 -7.8669 -52.9377 -7.86688 29.7182 9.73124 -52.9377 9.73119 -8.25893 GPRESSAVG: 3711400 26.5305 -9.27674 -51.1761 -6.28464 29.2239 10.3556 -55.5923 10.5409 -7.40783 TIMING: 3711400 CPU: 11732.8, 0.00319002/step Wall: 11732.8, 0.00319002/step, 1.14185 hours remaining, 237.640625 MB of memory in use. ENERGY: 3711400 3969.4744 20439.4560 14442.4045 247.2061 -203182.7907 2699.3842 0.0000 0.0000 51728.2748 -109656.5907 297.2831 -161384.8655 -109294.8535 298.3327 40.4137 70.4072 759709.0852 16.2123 16.1155 PRESSURE: 3711600 -77.2634 -66.1351 -12.1919 -66.135 -122.577 -93.7864 -12.1916 -93.7855 -165.077 GPRESSURE: 3711600 1.85699 -8.39616 -99.8728 -26.519 -207.307 -24.1059 -14.8484 -184.717 -88.0061 PRESSAVG: 3711600 -15.5933 -5.00115 -26.3235 -5.00113 14.2181 -32.5214 -26.3236 -32.5215 -11.3648 GPRESSAVG: 3711600 -16.0705 -5.88512 -28.1825 -4.83369 15.2251 -32.1717 -24.9097 -33.5258 -11.4463 TIMING: 3711600 CPU: 11733.5, 0.00315356/step Wall: 11733.5, 0.00315356/step, 1.12862 hours remaining, 237.640625 MB of memory in use. ENERGY: 3711600 3986.1490 20503.2946 14404.1375 255.6529 -203288.1990 2315.6621 0.0000 0.0000 52206.1985 -109617.1045 300.0297 -161823.3030 -109248.1584 298.6846 -121.6390 -97.8187 761509.0974 -4.2467 -4.0972 PRESSURE: 3711800 -154.286 -106.402 127.571 -106.402 -169.517 -90.1487 127.571 -90.1488 -483.643 GPRESSURE: 3711800 -194.743 -159.862 155.824 -46.1832 -123.99 -166.022 274.31 -123.612 -415.979 PRESSAVG: 3711800 -6.72614 25.2277 -25.9742 25.2277 -29.9261 29.9977 -25.9742 29.9977 8.05845 GPRESSAVG: 3711800 -6.01802 25.0534 -22.8382 24.0886 -29.8248 30.2567 -25.7037 28.1807 7.3102 TIMING: 3711800 CPU: 11734.1, 0.00316062/step Wall: 11734.1, 0.00316062/step, 1.13097 hours remaining, 237.640625 MB of memory in use. ENERGY: 3711800 4015.5052 20422.1477 14443.7368 242.3267 -203188.4957 2546.9071 0.0000 0.0000 51858.9895 -109658.8827 298.0343 -161517.8722 -109298.2059 298.8945 -269.1489 -244.9043 761623.1054 -9.5313 -9.5109 PRESSURE: 3712000 -175.779 41.8616 201.439 41.8612 74.1025 -153.059 201.439 -153.059 61.5219 GPRESSURE: 3712000 -119.662 41.8518 140.284 -3.53734 91.7434 -166.697 167.623 -66.5024 52.7138 PRESSAVG: 3712000 -10.5489 0.335572 30.4041 0.335484 8.54471 66.2729 30.4042 66.273 8.77783 GPRESSAVG: 3712000 -9.77889 0.00478253 30.7868 2.47938 6.3417 64.5049 29.3401 66.9886 9.93514 TIMING: 3712000 CPU: 11734.7, 0.00316146/step Wall: 11734.7, 0.00316146/step, 1.1311 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3712000 4021.7868 20490.8261 14435.4477 236.2957 -203351.6011 2409.8319 0.0000 0.0000 52158.8632 -109598.5496 299.7577 -161757.4128 -109243.5449 299.0119 -13.3848 8.2651 759005.3091 2.2579 2.1660 PRESSURE: 3712200 -102.115 -12.6725 -50.6745 -12.672 -338.98 116.232 -50.6744 116.231 -17.9809 GPRESSURE: 3712200 -4.3808 -24.2388 -25.4444 -76.3108 -244.684 171.555 -102.018 99.8599 -78.8503 PRESSAVG: 3712200 -13.4758 -7.78902 11.8526 -7.78905 42.9553 37.0654 11.8526 37.0654 1.98864 GPRESSAVG: 3712200 -12.9124 -7.42974 8.84036 -10.1786 45.2122 37.2578 11.4116 38.3971 -0.639357 TIMING: 3712200 CPU: 11735.4, 0.00314614/step Wall: 11735.4, 0.00314614/step, 1.12544 hours remaining, 237.640625 MB of memory in use. ENERGY: 3712200 4113.3817 20402.5668 14369.2876 246.7208 -203481.8607 2814.8869 0.0000 0.0000 51878.3511 -109656.6656 298.1456 -161535.0167 -109294.2536 298.7961 -153.0254 -109.3051 761411.2244 10.4894 10.5535 LDB: ============= START OF LOAD BALANCING ============== 11747.8 LDB: ============== END OF LOAD BALANCING =============== 11747.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11747.8 LDB: ============= START OF LOAD BALANCING ============== 11748.1 LDB: Largest compute 7034 load 0.032679 is 16.7% of average load 0.196107 LDB: Average compute 0.004384 is 2.2% of average load 0.196107 LDB: TIME 11748.1 LOAD: AVG 0.196107 MAX 0.214793 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 11748.1 LOAD: AVG 0.196107 MAX 0.214793 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: TIME 11748.1 LOAD: AVG 0.196107 MAX 0.214793 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.18 MB LDB: ============== END OF LOAD BALANCING =============== 11748.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11748.1 PRESSURE: 3712400 79.6612 271.319 -63.8607 271.319 -64.8409 73.0002 -63.8615 72.9991 230.221 GPRESSURE: 3712400 134.355 264.093 -21.374 128.139 -118.428 45.667 87.5844 -64.3306 323.147 PRESSAVG: 3712400 41.9483 4.72143 -12.4774 4.7215 -22.0694 33.3762 -12.4774 33.3762 -4.76266 GPRESSAVG: 3712400 40.1155 7.03559 -10.8808 5.05298 -21.9528 35.7607 -12.1108 31.5581 -2.85425 TIMING: 3712400 CPU: 11736, 0.00323993/step Wall: 11736, 0.00323993/step, 1.15881 hours remaining, 238.468750 MB of memory in use. ENERGY: 3712400 4013.2095 20500.1078 14450.1546 238.5805 -203577.7923 2818.5390 0.0000 0.0000 52163.5194 -109393.6815 299.7845 -161557.2009 -109025.9089 299.3322 81.6803 113.0247 762696.9514 5.0388 5.1028 PRESSURE: 3712600 -200.983 324.013 112.076 324.013 -92.5015 -157.521 112.076 -157.521 -131.311 GPRESSURE: 3712600 -190.156 297.688 129.515 164.028 -63.9709 -166.123 248.707 -109.093 -87.3314 PRESSAVG: 3712600 -50.5693 64.352 1.80406 64.352 30.6459 1.07349 1.80405 1.07356 0.43996 GPRESSAVG: 3712600 -48.7325 62.5443 1.47569 63.284 29.9603 -1.89326 1.06145 1.95463 -1.00893 TIMING: 3712600 CPU: 11736.6, 0.00316582/step Wall: 11736.6, 0.00316582/step, 1.13213 hours remaining, 238.539062 MB of memory in use. ENERGY: 3712600 4030.9642 20588.5879 14385.5150 257.1888 -203270.6835 2464.6504 0.0000 0.0000 51855.1162 -109688.6610 298.0121 -161543.7772 -109333.4513 298.9163 -141.5988 -113.8194 762457.8562 -6.4945 -6.5937 PRESSURE: 3712800 147.191 153.799 45.5946 153.799 -239.755 -211.626 45.5949 -211.625 -50.0888 GPRESSURE: 3712800 108.36 261.43 54.0226 145.139 -173.573 -205.579 5.28431 -160.062 -5.98468 PRESSAVG: 3712800 0.196019 32.0906 77.0625 32.0906 8.16005 -12.9125 77.0625 -12.9126 -8.30174 GPRESSAVG: 3712800 -1.64038 33.935 79.2178 34.372 9.81429 -11.3025 76.3745 -14.2405 -7.72574 TIMING: 3712800 CPU: 11737.3, 0.00314248/step Wall: 11737.3, 0.00314248/step, 1.12361 hours remaining, 238.539062 MB of memory in use. ENERGY: 3712800 3974.3229 20565.5312 14390.5632 241.3448 -203369.1197 2571.6676 0.0000 0.0000 52137.6565 -109488.0335 299.6358 -161625.6900 -109124.4558 298.8532 -47.5509 -23.7327 760211.0940 0.0181 0.1494 PRESSURE: 3713000 -42.4186 -93.1611 71.9744 -93.1609 45.8651 5.73945 71.974 5.7392 -120.942 GPRESSURE: 3713000 23.6045 -62.0853 30.4475 -146.169 73.8754 24.9039 141.188 -75.8305 -110.186 PRESSAVG: 3713000 -56.4972 -5.10996 43.753 -5.11001 55.865 7.51549 43.753 7.51558 14.0265 GPRESSAVG: 3713000 -56.8558 -8.19572 41.0536 -4.7149 55.5552 7.77164 43.8428 7.577 14.7201 TIMING: 3713000 CPU: 11737.9, 0.00317157/step Wall: 11737.9, 0.00317157/step, 1.13384 hours remaining, 238.539062 MB of memory in use. ENERGY: 3713000 4017.4371 20352.6954 14445.4620 243.9078 -203387.6207 2548.8859 0.0000 0.0000 52337.9690 -109441.2635 300.7870 -161779.2325 -109082.8425 299.7551 -39.1653 -4.2354 761779.5788 4.4648 4.4732 PRESSURE: 3713200 -15.1388 -36.0865 249.088 -36.0865 51.2416 79.0146 249.089 79.0137 189.607 GPRESSURE: 3713200 -23.4215 -102.358 199.174 42.4538 78.8724 66.2971 356.321 266.559 253.989 PRESSAVG: 3713200 14.2105 24.6855 28.4077 24.6855 -3.14202 -19.6567 28.4078 -19.6566 0.987423 GPRESSAVG: 3713200 14.3757 25.8497 29.5821 24.9077 -4.45881 -19.8479 28.2379 -17.4151 1.85429 TIMING: 3713200 CPU: 11738.5, 0.00316078/step Wall: 11738.5, 0.00316078/step, 1.1298 hours remaining, 238.539062 MB of memory in use. ENERGY: 3713200 4063.2531 20408.5005 14405.8852 255.8051 -203430.2621 2555.1403 0.0000 0.0000 52036.5702 -109705.1078 299.0549 -161741.6780 -109329.7433 298.6059 75.2367 103.1467 761976.6604 4.0186 3.9237 PRESSURE: 3713400 -15.5867 -56.132 -90.1548 -56.1321 -335.841 101.668 -90.1556 101.668 -275.409 GPRESSURE: 3713400 -59.2538 -62.7141 -81.2926 -122.422 -196.144 72.9291 -61.6776 118.711 -278.769 PRESSAVG: 3713400 33.8735 -7.75465 25.1343 -7.75468 -27.1049 -18.326 25.1343 -18.3259 31.1661 GPRESSAVG: 3713400 35.2007 -10.6405 24.5746 -6.8225 -27.3429 -20.3889 28.4496 -17.8429 30.55 TIMING: 3713400 CPU: 11739.2, 0.00318739/step Wall: 11739.2, 0.00318739/step, 1.13914 hours remaining, 238.539062 MB of memory in use. ENERGY: 3713400 3975.0486 20518.7420 14426.4661 257.2104 -203408.5940 2605.4664 0.0000 0.0000 52035.2532 -109590.4073 299.0473 -161625.6605 -109224.5217 298.8698 -208.9458 -178.0556 760848.9484 12.6449 12.8026 PRESSURE: 3713600 108.254 -62.1834 118.563 -62.1839 -420.459 -25.1496 118.563 -25.1491 -63.1544 GPRESSURE: 3713600 112.689 -31.3056 198.275 -71.4193 -356.12 15.5432 15.3667 -35.8082 -58.8763 PRESSAVG: 3713600 21.4743 -54.5079 -23.725 -54.5079 -32.2096 -32.8326 -23.725 -32.8326 -9.7402 GPRESSAVG: 3713600 19.6117 -52.2779 -22.7145 -56.013 -30.8025 -30.3445 -25.2331 -32.6234 -9.2532 TIMING: 3713600 CPU: 11739.8, 0.00318404/step Wall: 11739.8, 0.00318404/step, 1.13776 hours remaining, 238.539062 MB of memory in use. ENERGY: 3713600 4046.9123 20510.1734 14462.7333 237.8845 -203193.5412 2383.1187 0.0000 0.0000 51946.7603 -109605.9586 298.5387 -161552.7190 -109241.8268 299.0207 -125.1195 -100.7689 762340.9368 -6.8252 -6.8147 PRESSURE: 3713800 62.9659 -259.618 17.1007 -259.619 -210.047 156.944 17.1009 156.945 255.281 GPRESSURE: 3713800 36.4428 -244.664 -67.0845 -195.796 -74.2073 168.021 128.154 168.139 237.664 PRESSAVG: 3713800 -1.91564 -53.0525 -22.2723 -53.0525 -17.5552 3.15481 -22.2723 3.15494 -18.0352 GPRESSAVG: 3713800 -0.628785 -52.453 -22.5081 -50.7001 -18.3699 2.16416 -21.0629 2.41646 -18.6403 TIMING: 3713800 CPU: 11740.4, 0.00315211/step Wall: 11740.4, 0.00315211/step, 1.12618 hours remaining, 238.539062 MB of memory in use. ENERGY: 3713800 4003.4859 20606.0982 14458.0429 240.3892 -203491.7717 2846.2326 0.0000 0.0000 51936.8525 -109400.6705 298.4818 -161337.5230 -109039.4543 298.8664 36.0666 66.6332 763612.9567 -12.5020 -12.5463 PRESSURE: 3714000 -178.99 -52.0258 -180.768 -52.0253 -121.623 12.942 -180.768 12.9424 -220.603 GPRESSURE: 3714000 -102.233 -55.3524 -249.321 37.3693 -207.081 3.78406 -266.732 -84.2287 -146.15 PRESSAVG: 3714000 -14.1976 -64.0551 -5.85997 -64.055 1.37174 -6.19504 -5.85998 -6.19508 -15.0206 GPRESSAVG: 3714000 -15.7359 -63.3642 -5.63198 -64.4603 1.48601 -5.62985 -6.41716 -6.61614 -13.1376 TIMING: 3714000 CPU: 11741.1, 0.00315888/step Wall: 11741.1, 0.00315888/step, 1.12842 hours remaining, 238.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3714000 3996.9305 20565.9516 14367.9320 259.7603 -203441.0770 2535.3753 0.0000 0.0000 52375.1337 -109339.9935 301.0006 -161715.1272 -108978.5300 299.4892 -173.7384 -151.8213 763723.8508 -9.2822 -9.1292 PRESSURE: 3714200 88.5444 -182.497 79.5389 -182.497 -76.3859 3.60407 79.5387 3.604 -3.74797 GPRESSURE: 3714200 -7.86656 -117.987 51.6739 -250.53 -53.4394 -39.3089 148.124 75.5823 154.621 PRESSAVG: 3714200 -32.606 -62.1754 18.5369 -62.1754 30.1551 17.5627 18.5369 17.5627 5.2978 GPRESSAVG: 3714200 -31.8828 -63.4075 18.9457 -63.8628 30.0091 17.9475 17.162 17.0987 4.94489 TIMING: 3714200 CPU: 11741.7, 0.00316514/step Wall: 11741.7, 0.00316514/step, 1.13048 hours remaining, 238.539062 MB of memory in use. ENERGY: 3714200 3874.6775 20548.8649 14478.3216 255.9717 -203224.7191 2724.0994 0.0000 0.0000 51757.0271 -109585.7569 297.4483 -161342.7839 -109220.8517 299.3364 2.8035 31.1052 763130.1410 0.9490 1.0237 PRESSURE: 3714400 -259.717 -105.379 108.161 -105.378 -51.8598 -12.6687 108.161 -12.6685 -9.11223 GPRESSURE: 3714400 -202.685 -48.9787 136.344 -110.004 24.9363 21.4312 189.443 -8.59863 -52.5972 PRESSAVG: 3714400 -11.4257 -31.0843 44.337 -31.0843 70.3292 -42.6295 44.3371 -42.6295 -4.19331 GPRESSAVG: 3714400 -11.2897 -31.5707 42.4835 -28.2338 71.2315 -43.1028 46.8994 -43.4458 -4.91717 TIMING: 3714400 CPU: 11742.3, 0.00316166/step Wall: 11742.3, 0.00316166/step, 1.12906 hours remaining, 238.539062 MB of memory in use. ENERGY: 3714400 4072.6955 20491.4868 14394.5804 254.1895 -203123.2937 2421.7109 0.0000 0.0000 51992.0101 -109496.6206 298.7988 -161488.6307 -109136.8180 299.3452 -106.8964 -76.7819 760599.2004 18.2367 18.3415 PRESSURE: 3714600 -112.059 -31.1696 16.9846 -31.1703 58.7244 53.2826 16.9843 53.2822 99.1502 GPRESSURE: 3714600 -82.6546 -18.1705 -76.9179 -153.216 118.98 -13.5212 -34.1241 -6.00031 88.0743 PRESSAVG: 3714600 -37.4306 -7.84823 -8.1671 -7.84822 7.03099 -64.3286 -8.16704 -64.3286 12.9569 GPRESSAVG: 3714600 -38.3139 -6.15664 -8.17427 -9.63606 7.87434 -64.6407 -7.26671 -63.4372 12.8098 TIMING: 3714600 CPU: 11743, 0.00314653/step Wall: 11743, 0.00314653/step, 1.12348 hours remaining, 238.539062 MB of memory in use. ENERGY: 3714600 4093.4070 20419.9433 14430.2723 235.6371 -203601.0658 2691.7246 0.0000 0.0000 52049.5616 -109680.5197 299.1295 -161730.0814 -109319.5178 298.9408 15.2717 41.4665 759780.5012 -5.8142 -5.8766 PRESSURE: 3714800 91.7531 79.9545 -94.3138 79.9547 252.224 114.064 -94.314 114.064 -35.6839 GPRESSURE: 3714800 177.286 119.029 -135.464 96.8951 273.734 123.135 2.54199 -42.3816 -53.423 PRESSAVG: 3714800 23.0929 -10.9879 -38.7768 -10.9879 -37.6242 -19.8532 -38.7768 -19.8531 19.4031 GPRESSAVG: 3714800 25.4886 -11.2003 -36.9818 -9.85361 -38.4559 -19.8647 -39.4496 -20.8701 18.5007 TIMING: 3714800 CPU: 11743.6, 0.00315925/step Wall: 11743.6, 0.00315925/step, 1.12785 hours remaining, 238.539062 MB of memory in use. ENERGY: 3714800 4008.8997 20471.3109 14391.2221 244.1904 -203478.4589 2599.9805 0.0000 0.0000 52122.7661 -109640.0892 299.5503 -161762.8553 -109265.9615 298.8295 102.7644 132.5323 759192.5567 1.6239 1.8445 PRESSURE: 3715000 245.399 86.5246 -49.6677 86.5253 -392.418 97.0129 -49.6674 97.013 64.9124 GPRESSURE: 3715000 175.859 161.671 -88.8298 26.8975 -263.256 93.5122 -68.4877 66.6929 86.7672 PRESSAVG: 3715000 -41.7493 -5.68702 9.59752 -5.68704 -6.95941 21.5394 9.59751 21.5393 -2.82358 GPRESSAVG: 3715000 -42.5353 -6.7495 9.0225 -7.17426 -6.94295 21.3757 10.5338 23.1777 -2.45252 TIMING: 3715000 CPU: 11744.2, 0.00316176/step Wall: 11744.2, 0.00316176/step, 1.12857 hours remaining, 238.539062 MB of memory in use. ENERGY: 3715000 3932.6871 20436.7652 14433.8796 244.1595 -203352.0383 2779.6265 0.0000 0.0000 52008.9923 -109515.9282 298.8964 -161524.9204 -109153.4787 299.2145 -27.3688 -0.2102 761238.8208 -17.1774 -17.3102 PRESSURE: 3715200 274.77 -57.8925 -50.8946 -57.8923 -82.6816 -162.324 -50.8947 -162.323 272.554 GPRESSURE: 3715200 312.103 -143.596 -66.4031 -97.4563 15.0282 -93.7919 -138.103 -135.411 213.827 PRESSAVG: 3715200 14.57 -58.8371 -63.5153 -58.8371 -22.4884 -19.7338 -63.5153 -19.7338 -5.99847 GPRESSAVG: 3715200 13.046 -59.7099 -62.5764 -59.0715 -21.0968 -19.5442 -66.0049 -19.9961 -5.7131 TIMING: 3715200 CPU: 11744.9, 0.0031745/step Wall: 11744.9, 0.0031745/step, 1.13295 hours remaining, 238.539062 MB of memory in use. ENERGY: 3715200 3954.9039 20577.9995 14369.8672 260.6401 -203239.7315 2590.1307 0.0000 0.0000 51953.7108 -109532.4793 298.5787 -161486.1901 -109175.5818 298.9863 154.8807 180.3192 761902.8863 -4.6390 -4.5880 PRESSURE: 3715400 105.879 -299.182 191.209 -299.182 141.368 -199.84 191.209 -199.839 -242.383 GPRESSURE: 3715400 129.615 -269.462 95.3306 -222.206 144.649 -117.394 226.201 -195.7 -191.769 PRESSAVG: 3715400 41.8721 27.3106 35.7947 27.3106 -20.3636 15.4676 35.7947 15.4677 -3.6501 GPRESSAVG: 3715400 41.2887 28.0893 34.4361 26.9577 -20.5406 15.4367 36.9699 15.9152 -2.8856 TIMING: 3715400 CPU: 11745.5, 0.00315118/step Wall: 11745.5, 0.00315118/step, 1.12445 hours remaining, 238.539062 MB of memory in use. ENERGY: 3715400 4019.7128 20433.5410 14412.4407 245.4138 -203233.7304 2440.7253 0.0000 0.0000 52286.3053 -109395.5915 300.4901 -161681.8968 -109028.1374 299.6842 1.6213 27.4985 761341.7642 5.9528 5.9542 PRESSURE: 3715600 -47.9441 -84.8394 -19.2575 -84.838 -204.15 -16.7916 -19.2577 -16.7921 265.034 GPRESSURE: 3715600 -70.9891 -93.5523 -32.5306 -185.246 -74.5445 -78.3391 -252.482 -74.0013 242.931 PRESSAVG: 3715600 6.78886 7.11618 -50.8874 7.11619 -28.4162 47.9914 -50.8874 47.9914 15.5049 GPRESSAVG: 3715600 7.45178 7.92278 -49.8626 8.28974 -28.8585 48.6189 -51.107 45.959 15.1041 TIMING: 3715600 CPU: 11746.1, 0.0031644/step Wall: 11746.1, 0.00316439/step, 1.12899 hours remaining, 238.539062 MB of memory in use. ENERGY: 3715600 3948.6108 20541.2726 14433.1418 226.2731 -202908.7537 2275.2963 0.0000 0.0000 52203.6225 -109280.5367 300.0149 -161484.1591 -108917.9301 299.0693 4.3135 32.4658 761455.5702 -2.0408 -2.1009 PRESSURE: 3715800 -99.7968 -19.6813 -0.710395 -19.6809 462.053 46.862 -0.709423 46.8609 170.006 GPRESSURE: 3715800 -46.4564 -38.0281 56.1569 -53.8581 446.339 70.6662 -25.5125 89.5323 216.112 PRESSAVG: 3715800 65.4036 -22.3206 6.18968 -22.3206 -29.2167 -16.7765 6.18965 -16.7766 -16.8745 GPRESSAVG: 3715800 65.1413 -23.3591 3.11814 -22.7157 -29.7804 -18.6539 6.19396 -13.986 -16.6213 TIMING: 3715800 CPU: 11746.8, 0.00317905/step Wall: 11746.8, 0.00317905/step, 1.13404 hours remaining, 238.539062 MB of memory in use. ENERGY: 3715800 3983.9411 20635.9085 14485.2349 259.7909 -203655.8373 2769.8315 0.0000 0.0000 52287.7639 -109233.3665 300.4985 -161521.1304 -108881.2777 299.5801 177.4206 205.3313 761012.2396 6.4375 6.2465 PRESSURE: 3716000 194.854 66.5408 23.0117 66.5408 91.209 22.8254 23.0116 22.825 -138.094 GPRESSURE: 3716000 182.447 154.786 -61.3897 98.8349 81.3364 129.551 125.165 87.5268 -52.5167 PRESSAVG: 3716000 14.3702 79.8461 -9.91859 79.8461 23.5788 37.6023 -9.91862 37.6023 -3.41876 GPRESSAVG: 3716000 14.1767 80.9014 -9.67534 80.0732 23.704 38.9642 -8.47718 37.0301 -2.89183 TIMING: 3716000 CPU: 11747.4, 0.00316146/step Wall: 11747.4, 0.00316146/step, 1.12759 hours remaining, 238.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3716000 3942.0154 20621.8077 14401.5013 241.1029 -203171.3041 2680.4115 0.0000 0.0000 52205.6346 -109078.8307 300.0265 -161284.4654 -108723.2962 300.0537 49.3233 70.4223 761388.9914 11.5101 11.6630 PRESSURE: 3716200 44.2062 126.757 96.1991 126.758 -177.323 74.3851 96.1984 74.3858 -356.421 GPRESSURE: 3716200 160.67 78.7271 84.6876 65.9831 -251.335 202.116 92.4751 -23.415 -319.23 PRESSAVG: 3716200 47.8643 -11.0461 -25.2457 -11.0461 -13.9061 -33.6492 -25.2457 -33.6493 35.1435 GPRESSAVG: 3716200 50.0442 -11.5604 -23.4737 -10.831 -14.4272 -33.319 -26.4152 -34.7591 33.4724 TIMING: 3716200 CPU: 11748, 0.00317079/step Wall: 11748, 0.00317079/step, 1.13074 hours remaining, 238.539062 MB of memory in use. ENERGY: 3716200 3964.3496 20493.2033 14439.0353 280.6006 -202876.9496 2544.8085 0.0000 0.0000 52112.8396 -109042.1127 299.4932 -161154.9523 -108679.4683 300.2353 -163.1793 -136.6319 762486.3625 23.0339 23.0298 LDB: ============= START OF LOAD BALANCING ============== 11760.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11760.4 LDB: =============== DONE WITH MIGRATION ================ 11760.4 LDB: ============= START OF LOAD BALANCING ============== 11760.7 LDB: Largest compute 7036 load 0.031784 is 16.2% of average load 0.196114 LDB: Average compute 0.004393 is 2.2% of average load 0.196114 LDB: TIME 11760.7 LOAD: AVG 0.196114 MAX 0.214986 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.754 MB LDB: TIME 11760.7 LOAD: AVG 0.196114 MAX 0.214986 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.82 MB LDB: TIME 11760.7 LOAD: AVG 0.196114 MAX 0.214986 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11760.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11760.8 PRESSURE: 3716400 -166.406 -118.531 -130.748 -118.53 16.5407 47.2754 -130.748 47.2761 101.389 GPRESSURE: 3716400 -108.418 -65.2787 -83.0641 -21.5983 -9.7985 -0.356019 -170.137 2.62333 157.584 PRESSAVG: 3716400 -11.166 26.4635 -30.1638 26.4635 -3.29206 -55.459 -30.1638 -55.4591 -14.4334 GPRESSAVG: 3716400 -12.1905 26.091 -28.4721 27.2828 -3.84033 -56.5818 -31.7054 -54.2819 -13.0913 TIMING: 3716400 CPU: 11748.7, 0.00323462/step Wall: 11748.7, 0.00323462/step, 1.15332 hours remaining, 237.753906 MB of memory in use. ENERGY: 3716400 4009.4479 20504.3655 14379.3516 251.2549 -203029.3125 2597.2212 0.0000 0.0000 52065.5583 -109222.1130 299.2215 -161287.6714 -108857.4180 300.1865 -16.1587 13.1226 764001.2198 -9.6305 -9.7074 PRESSURE: 3716600 56.6119 -37.5586 -186.845 -37.5588 -259.489 -25.9864 -186.843 -25.9868 173.019 GPRESSURE: 3716600 53.8734 34.3599 -210.596 -42.5292 -111.716 -118.173 1.81871 -4.74636 101.903 PRESSAVG: 3716600 49.7608 5.39123 -1.86413 5.39118 -24.3427 -20.0521 -1.86414 -20.0521 -13.7072 GPRESSAVG: 3716600 49.6023 6.74962 -3.91823 4.54089 -24.9353 -19.7157 0.930971 -19.1054 -13.5118 TIMING: 3716600 CPU: 11749.3, 0.00317663/step Wall: 11749.3, 0.00317663/step, 1.13247 hours remaining, 237.753906 MB of memory in use. ENERGY: 3716600 3890.4454 20505.0030 14445.5398 245.8881 -203426.6875 2875.3727 0.0000 0.0000 52283.8452 -109180.5932 300.4760 -161464.4384 -108815.9423 299.9836 -9.9527 14.6871 764545.6874 3.9036 3.7184 PRESSURE: 3716800 11.1256 -156.81 -91.811 -156.81 111.333 92.9126 -91.8096 92.9138 310.455 GPRESSURE: 3716800 89.7921 -105.219 -47.797 -128.367 108.353 160.155 -169.828 112.022 304.134 PRESSAVG: 3716800 9.79079 -8.52163 8.67713 -8.5216 -53.1714 -31.4571 8.67715 -31.457 22.5583 GPRESSAVG: 3716800 9.08404 -11.0541 9.79394 -8.95568 -52.7064 -30.3427 6.63172 -34.4244 22.9378 TIMING: 3716800 CPU: 11749.9, 0.0031654/step Wall: 11749.9, 0.0031654/step, 1.12829 hours remaining, 237.753906 MB of memory in use. ENERGY: 3716800 3995.0437 20550.0365 14368.8829 254.4180 -202732.1099 2402.7631 0.0000 0.0000 51950.4430 -109210.5227 298.5599 -161160.9657 -108845.1282 299.8801 144.3045 167.4263 763902.5389 -6.9408 -6.8949 PRESSURE: 3717000 -48.1057 -97.7702 263.314 -97.77 74.2858 -157.296 263.314 -157.295 131.862 GPRESSURE: 3717000 6.35768 -114.813 181.852 -170.792 118.109 -116.015 268.979 -45.3764 127.701 PRESSAVG: 3717000 31.95 2.55957 22.7132 2.55954 -15.7293 -10.1154 22.7132 -10.1155 -12.983 GPRESSAVG: 3717000 32.6346 3.17703 21.3395 4.00107 -16.5002 -11.8215 23.4927 -9.16916 -13.3217 TIMING: 3717000 CPU: 11750.6, 0.00318464/step Wall: 11750.6, 0.00318464/step, 1.13497 hours remaining, 237.753906 MB of memory in use. ENERGY: 3717000 3962.7947 20509.5246 14351.7463 274.4954 -202686.6021 2429.8642 0.0000 0.0000 52157.5849 -109000.5920 299.7504 -161158.1770 -108639.3528 299.6511 52.6808 84.0560 763460.4326 1.0792 0.9376 PRESSURE: 3717200 62.983 -188.608 8.35769 -188.607 -121.208 189.211 8.35719 189.213 -308.803 GPRESSURE: 3717200 93.8266 -135.707 24.3254 -116.748 -106.761 274.82 47.0531 94.4389 -267.854 PRESSAVG: 3717200 -6.98696 -25.1155 -59.8537 -25.1154 -26.4185 -38.5944 -59.8537 -38.5943 -14.8379 GPRESSAVG: 3717200 -6.18966 -26.0934 -59.611 -24.87 -26.9286 -36.9612 -59.5902 -38.2702 -14.8581 TIMING: 3717200 CPU: 11751.2, 0.00315737/step Wall: 11751.2, 0.00315737/step, 1.12508 hours remaining, 237.753906 MB of memory in use. ENERGY: 3717200 3987.0448 20694.4669 14388.6466 238.0381 -203015.8058 2337.2406 0.0000 0.0000 52198.0524 -109172.3164 299.9829 -161370.3688 -108820.3054 299.8382 -122.3429 -93.5960 762826.2305 -16.0811 -15.9921 PRESSURE: 3717400 -353.643 -15.1406 -111.801 -15.1403 -117.811 -25.0888 -111.801 -25.0888 -129.196 GPRESSURE: 3717400 -243.67 -111.308 -78.5144 -106.401 -155.196 -109.712 -70.9874 84.4102 -114.829 PRESSAVG: 3717400 -6.8616 -17.8799 10.9002 -17.8798 21.807 38.7021 10.9002 38.7021 9.25373 GPRESSAVG: 3717400 -6.44009 -15.8357 10.3748 -18.295 20.8934 37.0858 12.1606 39.287 8.54147 TIMING: 3717400 CPU: 11751.8, 0.00316106/step Wall: 11751.8, 0.00316106/step, 1.12622 hours remaining, 237.753906 MB of memory in use. ENERGY: 3717400 4008.3458 20614.2869 14370.7343 250.9751 -202918.4151 2352.5058 0.0000 0.0000 52091.7224 -109229.8448 299.3718 -161321.5672 -108863.8871 299.7616 -200.2165 -171.2319 763203.5947 8.0664 7.6649 PRESSURE: 3717600 129.417 61.1707 -291.453 61.1705 -1.67505 67.4305 -291.453 67.4312 -132.45 GPRESSURE: 3717600 144.457 50.5789 -223.884 79.751 65.3033 62.4542 -402.025 67.5776 -143.658 PRESSAVG: 3717600 36.9691 -4.96449 -44.0745 -4.96449 -86.5252 -27.4594 -44.0744 -27.4594 5.39147 GPRESSAVG: 3717600 36.1627 -7.52803 -42.9504 -5.2742 -84.4308 -25.9754 -45.9981 -26.7324 4.35593 TIMING: 3717600 CPU: 11752.5, 0.00317316/step Wall: 11752.5, 0.00317316/step, 1.13035 hours remaining, 237.753906 MB of memory in use. ENERGY: 3717600 3979.3398 20615.2967 14389.1969 239.4312 -203358.1997 2734.0387 0.0000 0.0000 52289.6156 -109111.2808 300.5091 -161400.8964 -108746.6634 300.0238 -1.5692 22.0342 760864.8067 -14.7216 -14.6374 PRESSURE: 3717800 115.903 172.206 169.886 172.207 -116.999 96.3023 169.887 96.303 -11.5157 GPRESSURE: 3717800 104.008 123.386 165.826 101.96 -84.9615 190.413 76.1584 113.867 59.1616 PRESSAVG: 3717800 2.80956 56.3783 13.6572 56.3783 -9.00951 21.0155 13.6572 21.0155 -31.5253 GPRESSAVG: 3717800 3.93849 57.851 14.8287 55.7465 -8.85662 22.1473 15.2711 17.4477 -32.2658 TIMING: 3717800 CPU: 11753.1, 0.00321663/step Wall: 11753.1, 0.00321663/step, 1.14566 hours remaining, 237.753906 MB of memory in use. ENERGY: 3717800 4029.6744 20471.3296 14448.4217 248.3955 -203055.2441 2557.4505 0.0000 0.0000 52084.5414 -109215.4309 299.3306 -161299.9723 -108851.3810 300.2480 -4.2040 26.0693 761799.8909 -12.5751 -12.3947 PRESSURE: 3718000 120.419 -209.179 32.4189 -209.179 302.785 -50.9805 32.4186 -50.9801 428.631 GPRESSURE: 3718000 192.089 -162.813 97.2146 -41.0104 318.989 -13.601 11.2373 -8.714 436.083 PRESSAVG: 3718000 -26.3003 -31.1898 -30.1246 -31.1898 13.5484 29.415 -30.1246 29.415 -3.52309 GPRESSAVG: 3718000 -28.1728 -28.7835 -32.7995 -30.6491 13.0765 28.0086 -29.5364 31.5431 -1.37034 TIMING: 3718000 CPU: 11753.8, 0.0031673/step Wall: 11753.8, 0.0031673/step, 1.12791 hours remaining, 237.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3718000 4014.8985 20572.7056 14417.1391 261.3486 -203275.3170 2889.4714 0.0000 0.0000 51843.6231 -109276.1308 297.9460 -161119.7539 -108920.2739 299.5176 283.9450 315.7201 761253.1129 -5.4250 -5.4889 PRESSURE: 3718200 219.861 124.732 -110.685 124.733 -39.6596 -149.185 -110.685 -149.186 353.8 GPRESSURE: 3718200 346.94 15.6179 -73.6314 147.799 -156.401 -43.4036 -10.2792 -127.585 414.219 PRESSAVG: 3718200 -9.37715 -11.0452 -9.831 -11.0451 -23.7238 -23.8441 -9.83096 -23.8441 7.22882 GPRESSAVG: 3718200 -8.55331 -14.4848 -7.15578 -11.0268 -23.4822 -23.3761 -14.3439 -24.702 6.33645 TIMING: 3718200 CPU: 11754.4, 0.00318758/step Wall: 11754.4, 0.00318758/step, 1.13495 hours remaining, 237.753906 MB of memory in use. ENERGY: 3718200 3944.9311 20763.3967 14410.2348 248.2536 -203830.8900 2957.0914 0.0000 0.0000 52140.5589 -109366.4235 299.6525 -161506.9824 -109012.6010 299.5409 178.0005 201.5858 762045.6551 -8.6240 -8.5664 PRESSURE: 3718400 -89.9786 -61.1252 -64.3276 -61.1253 86.2888 140.925 -64.3285 140.926 310.304 GPRESSURE: 3718400 4.62376 -115.761 -107.733 -34.6137 72.3782 62.5384 -88.0814 20.2589 305.652 PRESSAVG: 3718400 17.2211 -9.1125 1.23857 -9.11247 -50.1116 -18.0739 1.23856 -18.0739 19.2074 GPRESSAVG: 3718400 17.3381 -7.79563 0.400381 -9.12465 -51.3524 -18.4762 5.45558 -20.2096 20.5198 TIMING: 3718400 CPU: 11755, 0.00315993/step Wall: 11755, 0.00315993/step, 1.12494 hours remaining, 237.753906 MB of memory in use. ENERGY: 3718400 3988.6064 20471.8428 14399.0107 260.1269 -203204.8727 2486.3426 0.0000 0.0000 51987.1510 -109611.7923 298.7709 -161598.9433 -109252.6487 298.9890 102.2047 127.5512 761268.2600 -4.5610 -4.4981 PRESSURE: 3718600 -172.997 -90.8872 99.085 -90.886 134.28 -89.8972 99.0858 -89.8975 -60.6647 GPRESSURE: 3718600 -70.6688 -98.379 148.188 16.3875 108.817 -48.6822 7.19128 -59.9242 -40.8164 PRESSAVG: 3718600 -7.63683 -3.48319 -9.36851 -3.48321 41.6587 25.9412 -9.36846 25.9413 14.2049 GPRESSAVG: 3718600 -6.53291 -5.17119 -9.19963 -4.25552 42.5344 26.2864 -11.3401 27.0921 12.1927 TIMING: 3718600 CPU: 11755.7, 0.00318656/step Wall: 11755.7, 0.00318656/step, 1.13424 hours remaining, 237.753906 MB of memory in use. ENERGY: 3718600 3980.0631 20426.3510 14417.0329 229.0960 -203523.2484 2653.5097 0.0000 0.0000 52029.4228 -109787.7729 299.0138 -161817.1958 -109436.1816 298.9360 -33.1275 -0.8894 760648.8819 16.0756 16.0647 PRESSURE: 3718800 156.984 6.21389 -16.4359 6.2132 -143.445 -341.386 -16.436 -341.386 278.912 GPRESSURE: 3718800 194.551 4.30911 67.2581 -166.455 -110.472 -304.843 -179.024 -297.938 279.446 PRESSAVG: 3718800 4.68897 5.71496 -19.1637 5.71492 -25.0679 2.52193 -19.1637 2.52196 18.518 GPRESSAVG: 3718800 3.46819 9.1984 -19.0802 3.71056 -25.3399 2.14934 -20.0821 5.23032 19.8866 TIMING: 3718800 CPU: 11756.3, 0.00318312/step Wall: 11756.3, 0.00318312/step, 1.13284 hours remaining, 237.753906 MB of memory in use. ENERGY: 3718800 4014.6399 20557.4621 14441.6001 239.5950 -203212.5474 2503.8974 0.0000 0.0000 51858.6311 -109596.7218 298.0323 -161455.3529 -109233.4802 298.7966 97.4839 121.1747 760745.6388 -0.6203 -0.6617 PRESSURE: 3719000 132.878 12.2025 132.022 12.2025 -154.963 158.984 132.022 158.982 -174.484 GPRESSURE: 3719000 139.364 21.5848 152.996 -66.8099 -135.781 207.539 72.7508 142.736 -124.019 PRESSAVG: 3719000 20.0645 -10.6005 -2.05533 -10.6006 -33.3868 4.03461 -2.05535 4.03453 -11.5851 GPRESSAVG: 3719000 20.1091 -13.0695 -1.6199 -7.61458 -33.333 2.5084 -3.52354 2.6489 -11.7942 TIMING: 3719000 CPU: 11756.9, 0.0031915/step Wall: 11756.9, 0.0031915/step, 1.13564 hours remaining, 237.753906 MB of memory in use. ENERGY: 3719000 3972.2151 20579.3830 14459.0038 263.6392 -203467.9071 2544.9695 0.0000 0.0000 51875.5608 -109773.1358 298.1296 -161648.6966 -109415.8294 298.8920 -65.5228 -40.1454 760886.2624 -8.3025 -8.3394 PRESSURE: 3719200 -50.7121 140.286 164.543 140.286 -479.625 -8.95335 164.543 -8.9543 157.286 GPRESSURE: 3719200 -29.1559 101.45 180.28 133.45 -403.544 -73.5968 46.3223 -83.3186 136.316 PRESSAVG: 3719200 77.3089 -8.2978 77.8314 -8.29785 -35.2706 -52.4972 77.8315 -52.4972 8.49379 GPRESSAVG: 3719200 78.4772 -9.1997 76.4208 -8.9425 -35.1293 -51.7463 80.6865 -50.7286 7.52134 TIMING: 3719200 CPU: 11757.6, 0.00318241/step Wall: 11757.6, 0.00318241/step, 1.13223 hours remaining, 237.753906 MB of memory in use. ENERGY: 3719200 3970.8722 20599.0325 14353.8121 243.7560 -203139.8029 2347.1579 0.0000 0.0000 51896.9416 -109728.2306 298.2524 -161625.1722 -109371.1942 298.5853 -124.3505 -98.7946 760250.7018 16.8440 16.9564 PRESSURE: 3719400 52.5244 100.985 -125.334 100.986 -175.703 -30.6448 -125.333 -30.6457 84.5234 GPRESSURE: 3719400 163.604 38.0412 -72.6453 7.2526 -184.037 -41.8152 -137.504 -139.165 88.9151 PRESSAVG: 3719400 43.1672 -48.8109 -48.7984 -48.8109 -33.0813 -26.0738 -48.7983 -26.0737 -18.2077 GPRESSAVG: 3719400 44.3231 -48.9835 -49.3121 -46.3193 -34.6114 -26.3304 -49.8116 -26.6932 -17.3784 TIMING: 3719400 CPU: 11758.2, 0.00318038/step Wall: 11758.2, 0.00318038/step, 1.13133 hours remaining, 237.753906 MB of memory in use. ENERGY: 3719400 4025.0560 20379.8241 14433.3538 238.0183 -203252.4709 2482.6555 0.0000 0.0000 52041.3645 -109652.1987 299.0824 -161693.5632 -109304.2849 299.2512 -12.8851 22.8274 760647.0899 -2.7073 -2.5556 PRESSURE: 3719600 -26.0745 31.485 -177.413 31.485 -129.047 -159.846 -177.413 -159.846 -111.278 GPRESSURE: 3719600 -64.5409 79.8157 -180.016 2.25667 -34.9491 -209.441 -274.352 -13.7109 -80.8737 PRESSAVG: 3719600 -5.31868 -1.37784 -54.6412 -1.37787 0.948832 8.0175 -54.6412 8.01759 3.99542 GPRESSAVG: 3719600 -6.05748 0.231326 -52.4673 -5.29217 1.46555 8.31569 -54.1941 7.59427 3.93047 TIMING: 3719600 CPU: 11758.8, 0.00316428/step Wall: 11758.8, 0.00316428/step, 1.12543 hours remaining, 237.753906 MB of memory in use. ENERGY: 3719600 4069.6406 20488.0243 14397.4559 240.9680 -203405.5261 2570.9836 0.0000 0.0000 51919.8713 -109718.5822 298.3842 -161638.4535 -109363.2065 299.3754 -88.7998 -60.1212 760188.7067 -0.1248 -0.2205 PRESSURE: 3719800 -129.213 -93.087 -4.69788 -93.0861 87.2194 -35.5774 -4.69914 -35.5786 -252.192 GPRESSURE: 3719800 -241.966 -98.4672 -26.0811 -84.4311 198.031 84.1583 -95.7069 -14.3861 -161.599 PRESSAVG: 3719800 -7.172 -2.74579 4.59974 -2.74576 60.6558 -17.3967 4.5997 -17.3968 0.846808 GPRESSAVG: 3719800 -8.23593 -3.82558 3.31604 -0.399266 61.5375 -16.8609 5.31748 -17.1036 1.57911 TIMING: 3719800 CPU: 11759.5, 0.00313959/step Wall: 11759.5, 0.00313959/step, 1.11647 hours remaining, 237.753906 MB of memory in use. ENERGY: 3719800 4024.1287 20432.3710 14388.5021 260.0038 -203826.4075 2728.2775 0.0000 0.0000 52139.5853 -109853.5390 299.6469 -161993.1244 -109491.5489 298.6408 -98.0620 -68.5111 761142.5563 18.1102 18.2936 PRESSURE: 3720000 -0.0259162 63.8271 38.1945 63.8275 -57.9296 101.463 38.1943 101.465 -82.7512 GPRESSURE: 3720000 -2.83893 17.6939 2.55611 11.5036 48.3185 80.3394 69.6916 107.57 -108.869 PRESSAVG: 3720000 -30.3046 0.179274 37.6396 0.179269 10.2602 22.7762 37.6396 22.7762 2.54005 GPRESSAVG: 3720000 -30.9652 -1.66166 38.2829 1.34571 10.4919 21.821 35.3061 22.2844 2.85946 TIMING: 3720000 CPU: 11760.1, 0.00312853/step Wall: 11760.1, 0.00312853/step, 1.11236 hours remaining, 237.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3720000 3994.2607 20470.5392 14428.1660 262.8070 -203556.4830 2669.4808 0.0000 0.0000 51952.3307 -109778.8987 298.5708 -161731.2294 -109415.3170 298.9118 -46.9022 -21.1299 761083.1349 -5.8348 -5.8713 PRESSURE: 3720200 197.761 5.48724 -303.706 5.48718 -61.5724 -92.5871 -303.705 -92.5867 -21.1924 GPRESSURE: 3720200 155.653 48.6781 -224.263 -13.9493 -25.854 -100.722 -108.501 -84.457 61.4081 PRESSAVG: 3720200 15.9675 -20.7531 14.5327 -20.7531 -20.8525 6.30967 14.5327 6.30967 -6.0996 GPRESSAVG: 3720200 15.1595 -18.6489 14.4616 -22.5246 -20.9133 6.48338 17.4538 5.94646 -5.52262 TIMING: 3720200 CPU: 11760.7, 0.00314127/step Wall: 11760.7, 0.00314127/step, 1.11672 hours remaining, 237.753906 MB of memory in use. ENERGY: 3720200 3979.4952 20535.8515 14441.8327 237.8783 -203327.6040 2656.3145 0.0000 0.0000 51887.5861 -109588.6457 298.1987 -161476.2318 -109221.3416 298.6440 38.3321 63.7357 760830.7008 -3.6615 -3.7588 LDB: ============= START OF LOAD BALANCING ============== 11773.1 LDB: ============== END OF LOAD BALANCING =============== 11773.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11773.1 LDB: ============= START OF LOAD BALANCING ============== 11773.4 LDB: Largest compute 7034 load 0.032030 is 16.3% of average load 0.195967 LDB: Average compute 0.004399 is 2.2% of average load 0.195967 LDB: TIME 11773.4 LOAD: AVG 0.195967 MAX 0.219583 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.066 MB LDB: TIME 11773.4 LOAD: AVG 0.195967 MAX 0.219583 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: TIME 11773.4 LOAD: AVG 0.195967 MAX 0.214638 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: ============== END OF LOAD BALANCING =============== 11773.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11773.4 PRESSURE: 3720400 -32.4751 -142.625 -25.2439 -142.624 215.943 -227.712 -25.2431 -227.713 -28.5782 GPRESSURE: 3720400 100.896 -220.984 -25.0867 -98.7488 241.08 -239.393 -81.2241 -148.051 -110.522 PRESSAVG: 3720400 -30.0995 -15.6414 -15.1232 -15.6414 -21.6838 -51.0509 -15.1231 -51.0509 -16.6041 GPRESSAVG: 3720400 -27.857 -15.9444 -16.4571 -17.4484 -23.7571 -52.4404 -15.5675 -51.1946 -16.7914 TIMING: 3720400 CPU: 11761.4, 0.00322205/step Wall: 11761.4, 0.00322205/step, 1.14526 hours remaining, 237.960938 MB of memory in use. ENERGY: 3720400 3949.9592 20690.2088 14461.5352 249.9958 -203550.2413 2730.2911 0.0000 0.0000 51976.9874 -109491.2637 298.7125 -161468.2511 -109127.1108 298.6412 51.6298 77.1514 761291.7011 -22.7958 -22.8019 PRESSURE: 3720600 -303.788 -136.345 -131.707 -136.345 -323.836 38.0734 -131.706 38.0725 -105.244 GPRESSURE: 3720600 -276.129 -126.546 -158.675 -87.7322 -272.412 -9.35862 -104.019 82.3236 -95.8627 PRESSAVG: 3720600 35.882 -36.5152 -10.8389 -36.5151 -12.6066 29.9518 -10.8389 29.9516 10.2245 GPRESSAVG: 3720600 34.6558 -37.286 -10.2066 -34.4133 -9.17951 31.1955 -12.4467 28.2456 8.63503 TIMING: 3720600 CPU: 11762, 0.00316699/step Wall: 11762, 0.00316699/step, 1.12551 hours remaining, 238.164062 MB of memory in use. ENERGY: 3720600 4031.4794 20471.5360 14451.7934 234.0995 -203459.5578 2423.7187 0.0000 0.0000 52270.0307 -109576.9001 300.3966 -161846.9309 -109209.8651 299.0285 -244.2893 -214.8011 761254.8226 11.1666 11.3704 PRESSURE: 3720800 -103.908 -137.473 257.781 -137.473 -81.3544 164.783 257.781 164.784 117.825 GPRESSURE: 3720800 -53.7895 -119.483 171.805 -130.442 -26.0847 103.651 264.082 149.833 106.116 PRESSAVG: 3720800 -13.8479 -66.7426 -4.78343 -66.7426 6.31136 45.8432 -4.78344 45.8431 7.7484 GPRESSAVG: 3720800 -13.3727 -65.7563 -4.56058 -67.5757 4.26274 44.2011 -5.79183 48.0474 9.68429 TIMING: 3720800 CPU: 11762.6, 0.00317663/step Wall: 11762.6, 0.00317662/step, 1.12876 hours remaining, 238.164062 MB of memory in use. ENERGY: 3720800 4025.5959 20596.3125 14520.1285 272.9906 -203454.4176 2635.8484 0.0000 0.0000 51958.5828 -109444.9589 298.6067 -161403.5418 -109083.9278 298.5671 -22.4789 8.7473 761624.7907 0.0706 0.1915 PRESSURE: 3721000 -50.0659 -101.711 99.3748 -101.712 17.4219 89.0052 99.3747 89.0051 -30.6654 GPRESSURE: 3721000 -105.635 -150.723 79.6718 -140.814 122.544 -21.9094 45.9315 95.2098 9.0761 PRESSAVG: 3721000 -29.908 -85.8824 -23.6164 -85.8824 35.0963 21.9076 -23.6163 21.9076 16.4689 GPRESSAVG: 3721000 -29.957 -85.3167 -24.8468 -87.0277 36.4803 21.7397 -22.8145 22.5893 15.4674 TIMING: 3721000 CPU: 11763.3, 0.00317458/step Wall: 11763.3, 0.00317458/step, 1.12786 hours remaining, 238.164062 MB of memory in use. ENERGY: 3721000 4043.5879 20503.2438 14488.9269 247.8741 -203674.3496 2549.4616 0.0000 0.0000 52357.9377 -109483.3176 300.9018 -161841.2553 -109116.7934 299.2624 -21.1031 8.6616 761284.7721 7.2191 7.3302 PRESSURE: 3721200 -371.011 169.403 -114.024 169.403 -137.594 -195.819 -114.023 -195.818 44.0421 GPRESSURE: 3721200 -408.987 217.592 -79.0414 76.8687 -47.3243 -190.992 -9.28821 -154.713 86.5843 PRESSAVG: 3721200 16.0246 10.5738 14.5756 10.5737 15.4085 1.77939 14.5756 1.77933 -9.22876 GPRESSAVG: 3721200 16.4425 8.60104 15.9667 13.693 15.9245 4.12661 13.5251 0.451729 -9.90646 TIMING: 3721200 CPU: 11763.9, 0.0031649/step Wall: 11763.9, 0.0031649/step, 1.12424 hours remaining, 238.164062 MB of memory in use. ENERGY: 3721200 4048.0437 20674.6560 14365.7919 241.8082 -203357.2879 2544.9536 0.0000 0.0000 52167.7087 -109314.3258 299.8085 -161482.0345 -108947.7171 300.2175 -154.8546 -123.2425 762578.5995 7.4014 7.4869 PRESSURE: 3721400 -358.702 -87.1563 -53.2759 -87.1563 -212.896 92.5182 -53.2755 92.5184 -351.244 GPRESSURE: 3721400 -261.651 -96.0295 -30.0913 -138.535 -279.801 37.7812 12.4903 -57.6913 -291.857 PRESSAVG: 3721400 -62.9033 -49.4905 -70.757 -49.4905 42.1379 -10.0417 -70.757 -10.0417 9.15337 GPRESSAVG: 3721400 -62.9043 -48.38 -69.6477 -50.9088 41.7274 -10.9752 -70.3117 -11.0534 10.1874 TIMING: 3721400 CPU: 11764.5, 0.00318068/step Wall: 11764.5, 0.00318068/step, 1.12967 hours remaining, 238.164062 MB of memory in use. ENERGY: 3721400 4035.9643 20477.8367 14411.6615 250.6507 -203236.6637 2464.9228 0.0000 0.0000 51901.6752 -109693.9524 298.2796 -161595.6276 -109332.9211 299.7824 -307.6139 -277.7697 762563.2837 -3.8706 -3.6632 PRESSURE: 3721600 -117.486 -33.8004 129.995 -33.8007 22.1684 146.5 129.995 146.5 58.4122 GPRESSURE: 3721600 -47.2058 -82.4164 96.4327 54.5245 77.838 150.296 3.00839 40.3005 24.9295 PRESSAVG: 3721600 -43.3772 17.7451 -10.619 17.7451 71.587 -9.90162 -10.619 -9.90162 -1.50849 GPRESSAVG: 3721600 -42.3778 16.7574 -11.5651 17.335 71.2285 -8.57073 -8.42892 -9.19036 -2.33294 TIMING: 3721600 CPU: 11765.2, 0.00317392/step Wall: 11765.2, 0.00317392/step, 1.12709 hours remaining, 238.164062 MB of memory in use. ENERGY: 3721600 4008.4791 20721.8756 14389.8930 237.8103 -203365.8957 2525.8246 0.0000 0.0000 51943.2678 -109538.7454 298.5187 -161482.0132 -109175.4797 299.1236 -12.3019 18.5206 761018.9024 8.9004 8.8393 PRESSURE: 3721800 -229.914 89.3067 -8.50937 89.3066 97.1146 -23.5793 -8.50996 -23.5792 80.0596 GPRESSURE: 3721800 -193.684 23.4058 -30.1337 188.412 192.257 -94.2609 115.682 7.53662 51.7798 PRESSAVG: 3721800 -46.6611 47.025 -14.6461 47.025 0.545607 13.2292 -14.646 13.2292 -7.71872 GPRESSAVG: 3721800 -47.7228 46.8607 -14.5219 50.0634 0.837965 12.2278 -14.7744 13.4568 -6.54046 TIMING: 3721800 CPU: 11765.8, 0.00318617/step Wall: 11765.8, 0.00318617/step, 1.13127 hours remaining, 238.164062 MB of memory in use. ENERGY: 3721800 4014.6743 20477.9668 14410.2606 247.7757 -203320.9363 2664.4817 0.0000 0.0000 51917.7485 -109588.0289 298.3720 -161505.7774 -109233.0050 299.2901 -17.5801 16.7842 758073.0649 -17.9447 -17.8084 PRESSURE: 3722000 -137.478 165.637 50.5597 165.637 81.0771 220.69 50.5595 220.689 -140.596 GPRESSURE: 3722000 -15.1988 143.985 -58.9322 205.603 84.0147 145.296 14.4416 211.206 -174.187 PRESSAVG: 3722000 4.62738 -10.6794 -1.50988 -10.6794 24.8631 85.1673 -1.50987 85.1673 -2.55404 GPRESSAVG: 3722000 5.64655 -10.432 -1.80394 -13.4925 24.4355 85.9167 -1.9667 84.1287 -2.72746 TIMING: 3722000 CPU: 11766.4, 0.00316955/step Wall: 11766.4, 0.00316955/step, 1.12519 hours remaining, 238.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3722000 4016.2364 20396.9359 14392.7917 239.6675 -203300.0470 2488.9174 0.0000 0.0000 52149.1957 -109616.3025 299.7021 -161765.4982 -109250.6584 299.0512 -65.6658 -35.1236 760440.2198 8.9788 9.1182 PRESSURE: 3722200 318.242 51.9908 30.6386 51.9899 176.624 62.4825 30.639 62.4826 201.515 GPRESSURE: 3722200 314.082 70.986 91.7745 25.8909 227.114 192.817 -72.0009 233.337 213.579 PRESSAVG: 3722200 52.0357 39.5813 101.447 39.5813 -45.4284 83.419 101.447 83.4189 -6.57465 GPRESSAVG: 3722200 52.2377 39.044 99.4936 41.1242 -45.7791 82.1445 101.785 84.9215 -6.79501 TIMING: 3722200 CPU: 11767.1, 0.00313836/step Wall: 11767.1, 0.00313836/step, 1.11394 hours remaining, 238.164062 MB of memory in use. ENERGY: 3722200 3956.6178 20577.4537 14441.1141 226.0172 -203903.1339 2843.8769 0.0000 0.0000 52233.3819 -109624.6722 300.1860 -161858.0541 -109256.7910 299.3891 232.1269 251.5914 759360.6756 0.0109 -0.1122 PRESSURE: 3722400 -243.883 -165.455 304.838 -165.455 -251.998 345.78 304.838 345.779 288.005 GPRESSURE: 3722400 -317.465 -199.399 307.094 -224.549 -68.6746 371.071 223.731 293.969 256.43 PRESSAVG: 3722400 0.160566 -39.5405 53.727 -39.5404 16.12 22.8127 53.7269 22.8127 -13.8298 GPRESSAVG: 3722400 -1.552 -40.073 55.5586 -40.0402 17.7852 24.8608 54.3956 23.2513 -13.4159 TIMING: 3722400 CPU: 11767.7, 0.00316008/step Wall: 11767.7, 0.00316008/step, 1.12148 hours remaining, 238.164062 MB of memory in use. ENERGY: 3722400 3980.2490 20422.4239 14369.3735 255.2825 -203253.8175 2558.1922 0.0000 0.0000 51916.1858 -109752.1107 298.3630 -161668.2964 -109390.9998 299.2052 -69.2920 -43.2364 762069.3834 0.8169 0.9391 PRESSURE: 3722600 59.6674 -38.6414 -20.1967 -38.642 -83.9499 -16.4115 -20.1964 -16.4102 136.691 GPRESSURE: 3722600 116.757 -20.1633 -2.47391 -86.1755 -92.6435 -24.0755 -62.2733 -12.1446 174.141 PRESSAVG: 3722600 -15.2996 -12.2052 41.8482 -12.2052 17.2142 -6.53277 41.8483 -6.53284 -4.16235 GPRESSAVG: 3722600 -14.7646 -10.4143 44.0589 -13.6378 16.4659 -6.75687 40.9738 -8.55386 -3.62408 TIMING: 3722600 CPU: 11768.3, 0.00317568/step Wall: 11768.3, 0.00317568/step, 1.12684 hours remaining, 238.164062 MB of memory in use. ENERGY: 3722600 4025.5948 20433.2974 14414.9816 233.5390 -203399.6826 2521.4212 0.0000 0.0000 51984.3626 -109786.4859 298.7548 -161770.8486 -109430.0331 298.6224 37.4695 66.0847 761556.1164 -0.7492 -0.6409 PRESSURE: 3722800 -216.724 -91.1133 -1.28711 -91.1137 54.3355 -10.0981 -1.28685 -10.0989 182.43 GPRESSURE: 3722800 -192.132 -64.8402 106.807 -21.6062 65.8866 -53.0687 -38.7893 23.0211 239.336 PRESSAVG: 3722800 13.6269 29.0148 36.5975 29.0148 -20.716 42.2214 36.5975 42.2214 -9.12796 GPRESSAVG: 3722800 13.3526 28.6549 34.2811 30.0982 -19.9857 42.0285 36.2639 43.3222 -8.81089 TIMING: 3722800 CPU: 11769, 0.00318349/step Wall: 11769, 0.00318349/step, 1.12943 hours remaining, 238.164062 MB of memory in use. ENERGY: 3722800 3982.5602 20372.4898 14481.5961 252.0911 -202866.1291 2301.5409 0.0000 0.0000 51711.5293 -109764.3217 297.1869 -161475.8510 -109410.1322 298.5551 6.6805 37.6970 762027.4232 -5.4057 -5.1480 PRESSURE: 3723000 -304.707 94.6894 54.7903 94.6897 -240.611 -26.4941 54.789 -26.4945 -180.464 GPRESSURE: 3723000 -206.989 -9.11318 -18.8864 175.939 -311.297 -96.9821 70.8925 -95.8636 -142.611 PRESSAVG: 3723000 15.6328 34.5045 -25.0799 34.5045 -11.46 39.0629 -25.0799 39.063 2.63222 GPRESSAVG: 3723000 16.3382 35.4608 -25.0673 35.2435 -11.6695 37.2611 -25.236 37.7075 2.59744 TIMING: 3723000 CPU: 11769.6, 0.00318365/step Wall: 11769.6, 0.00318365/step, 1.12931 hours remaining, 238.164062 MB of memory in use. ENERGY: 3723000 4060.1999 20447.6733 14405.9230 253.1067 -203144.5746 2292.9478 0.0000 0.0000 51980.0787 -109704.6453 298.7302 -161684.7239 -109343.6272 298.2661 -241.9273 -220.2990 763235.4613 2.2683 2.4220 PRESSURE: 3723200 -194.928 123.182 9.64395 123.182 -16.9396 43.3996 9.64357 43.3997 -65.5581 GPRESSURE: 3723200 -151.967 161.425 -55.5512 159.098 0.494959 62.7392 -19.5467 14.8194 -44.1524 PRESSAVG: 3723200 -16.5353 -27.588 -13.8053 -27.588 -28.8757 0.48808 -13.8053 0.488077 -16.7035 GPRESSAVG: 3723200 -16.9634 -27.5674 -13.5464 -29.2205 -29.2167 2.54527 -12.4708 2.51366 -15.6545 TIMING: 3723200 CPU: 11770.2, 0.00316798/step Wall: 11770.2, 0.00316798/step, 1.12358 hours remaining, 238.164062 MB of memory in use. ENERGY: 3723200 3988.1407 20485.7147 14457.0399 250.6684 -203620.5100 2594.7803 0.0000 0.0000 52218.3277 -109625.8383 300.0994 -161844.1659 -109258.5050 298.8529 -92.4752 -65.2081 763563.6808 -20.7048 -20.6115 PRESSURE: 3723400 -207.22 -241.722 -53.63 -241.722 -120.863 107.214 -53.6299 107.213 -477.157 GPRESSURE: 3723400 -230.416 -223.541 -29.7316 -102.588 -65.7815 52.4335 -85.8159 -34.939 -414.888 PRESSAVG: 3723400 12.3014 -11.9255 -0.385534 -11.9254 13.5314 5.91981 -0.385619 5.91978 10.0755 GPRESSAVG: 3723400 13.1742 -14.3353 -1.90512 -8.97859 13.8202 5.12223 0.120964 4.27529 8.77378 TIMING: 3723400 CPU: 11770.9, 0.00314208/step Wall: 11770.9, 0.00314208/step, 1.11422 hours remaining, 238.164062 MB of memory in use. ENERGY: 3723400 4036.1627 20532.1121 14434.5650 244.3355 -203285.4145 2517.0598 0.0000 0.0000 51828.3193 -109692.8602 297.8581 -161521.1795 -109336.2407 298.8079 -268.4135 -237.0285 763138.4335 11.9695 11.9227 PRESSURE: 3723600 -206.404 -167.666 267.639 -167.667 -31.2394 -157.475 267.639 -157.474 -116.97 GPRESSURE: 3723600 -207.259 -192.332 215.9 -167.138 40.9543 -116.872 206.083 -150.315 -95.8696 PRESSAVG: 3723600 31.6884 24.109 0.767295 24.109 -15.9352 -22.2238 0.767305 -22.2238 11.9185 GPRESSAVG: 3723600 30.3224 26.0341 1.3449 22.5925 -15.1888 -20.186 -0.366399 -21.2339 12.1093 TIMING: 3723600 CPU: 11771.5, 0.00314415/step Wall: 11771.5, 0.00314415/step, 1.11477 hours remaining, 238.164062 MB of memory in use. ENERGY: 3723600 3952.8616 20594.2240 14357.9164 245.4271 -203315.1431 2456.7837 0.0000 0.0000 51978.9709 -109728.9594 298.7239 -161707.9303 -109363.1669 298.8955 -118.2043 -87.3916 762090.7108 9.2239 9.0810 PRESSURE: 3723800 -184.949 -64.0391 -159.259 -64.0395 13.656 -16.3499 -159.259 -16.3508 -270.374 GPRESSURE: 3723800 -146.13 -195.301 -125.437 30.6364 2.09598 13.1401 -154.272 -26.7522 -209.241 PRESSAVG: 3723800 27.2007 -14.5361 8.70076 -14.5361 -14.1518 -5.81803 8.70081 -5.81804 5.14195 GPRESSAVG: 3723800 29.8068 -16.8722 10.2412 -14.1233 -14.9875 -7.12517 8.48618 -4.79762 3.78631 TIMING: 3723800 CPU: 11772.1, 0.00312862/step Wall: 11772.1, 0.00312862/step, 1.1091 hours remaining, 238.164062 MB of memory in use. ENERGY: 3723800 3935.6949 20447.3814 14397.1842 225.6846 -203360.0398 2672.3105 0.0000 0.0000 51933.4602 -109748.3240 298.4623 -161681.7842 -109376.5083 298.4400 -147.2222 -117.7581 762314.6956 6.0636 6.2019 PRESSURE: 3724000 147.85 53.9415 123.527 53.9418 144.697 179.126 123.527 179.126 -97.717 GPRESSURE: 3724000 183.551 70.3134 217.226 -110.765 230.421 127.178 -42.4915 134.745 -122.104 PRESSAVG: 3724000 0.860272 -16.0242 32.056 -16.0241 -24.8748 -45.2047 32.056 -45.2048 3.7465 GPRESSAVG: 3724000 0.236742 -13.2753 32.4614 -17.6031 -24.984 -44.8714 31.6299 -44.5895 4.41192 TIMING: 3724000 CPU: 11772.8, 0.00313696/step Wall: 11772.8, 0.00313697/step, 1.11188 hours remaining, 238.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3724000 3997.9682 20533.9662 14418.8740 229.0781 -203519.4028 2665.5342 0.0000 0.0000 52027.3182 -109646.6640 299.0017 -161673.9821 -109286.8619 298.7555 64.9433 97.2896 762545.4788 -6.7560 -6.7784 PRESSURE: 3724200 -70.1511 -162.646 -3.12195 -162.646 -334.997 53.5671 -3.12201 53.567 50.6117 GPRESSURE: 3724200 -105.032 -120.816 4.79121 -97.9951 -238.895 101.931 56.4793 108.017 73.4735 PRESSAVG: 3724200 -23.7547 16.7066 14.908 16.7066 34.3958 0.329276 14.908 0.329207 13.0964 GPRESSAVG: 3724200 -23.369 16.5606 14.199 17.5923 33.3361 -1.17349 16.7958 -1.5262 13.3512 TIMING: 3724200 CPU: 11773.4, 0.00316396/step Wall: 11773.4, 0.00316396/step, 1.12127 hours remaining, 238.164062 MB of memory in use. ENERGY: 3724200 4023.2047 20467.5351 14459.8350 259.8847 -203144.7814 2371.8323 0.0000 0.0000 51903.0472 -109659.4424 298.2875 -161562.4896 -109295.9993 298.8026 -118.1789 -90.1511 760817.5830 7.9125 7.7728 LDB: ============= START OF LOAD BALANCING ============== 11785.8 LDB: ============== END OF LOAD BALANCING =============== 11785.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11785.8 LDB: ============= START OF LOAD BALANCING ============== 11786.1 LDB: Largest compute 7070 load 0.033854 is 17.3% of average load 0.196226 LDB: Average compute 0.004386 is 2.2% of average load 0.196226 LDB: TIME 11786.1 LOAD: AVG 0.196226 MAX 0.214504 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 11786.1 LOAD: AVG 0.196226 MAX 0.214504 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 11786.1 LOAD: AVG 0.196226 MAX 0.214504 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 11786.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11786.1 PRESSURE: 3724400 -53.664 27.0429 -204.859 27.0424 25.208 16.9246 -204.86 16.9254 44.5662 GPRESSURE: 3724400 20.0056 120.329 -291.58 67.4314 124.438 93.9946 -65.6357 99.4867 -39.5513 PRESSAVG: 3724400 -0.531043 -26.1943 -33.7569 -26.1942 -2.97565 -29.3256 -33.7569 -29.3256 16.1948 GPRESSAVG: 3724400 -0.922585 -26.2719 -34.1396 -25.9189 -1.47386 -30.4103 -34.2608 -29.2476 15.2442 TIMING: 3724400 CPU: 11774, 0.00320194/step Wall: 11774, 0.00320194/step, 1.13455 hours remaining, 237.902344 MB of memory in use. ENERGY: 3724400 3915.0808 20477.6643 14501.9874 238.7048 -203103.7759 2552.2332 0.0000 0.0000 51929.8047 -109488.3007 298.4413 -161418.1054 -109137.1323 298.6219 5.3700 34.9642 761941.1413 4.2294 4.2826 PRESSURE: 3724600 36.2069 -6.97311 209.251 -6.97412 -295.414 -262.241 209.25 -262.241 168.743 GPRESSURE: 3724600 71.9892 -37.8573 129.23 14.0809 -264.048 -197.563 169.182 -221.301 171.406 PRESSAVG: 3724600 49.0994 -0.886019 28.1598 -0.886003 -11.3786 -61.6724 28.1598 -61.6724 -6.52943 GPRESSAVG: 3724600 48.4922 -1.57983 29.2165 0.0845563 -11.8811 -61.1843 25.6838 -59.7053 -5.29545 TIMING: 3724600 CPU: 11774.7, 0.00315593/step Wall: 11774.7, 0.00315593/step, 1.11807 hours remaining, 237.902344 MB of memory in use. ENERGY: 3724600 4010.3944 20603.2021 14478.4692 230.4686 -203358.5908 2538.6731 0.0000 0.0000 52091.9805 -109405.4028 299.3733 -161497.3833 -109033.7418 299.0291 -30.1549 -6.8844 761409.8940 10.3971 10.4386 PRESSURE: 3724800 253.14 -114.373 84.0262 -114.373 85.7804 -9.01158 84.0262 -9.01244 -41.2576 GPRESSURE: 3724800 217.082 -85.5831 -14.1758 -144.78 178.341 -45.6011 101.28 -62.4759 -22.7066 PRESSAVG: 3724800 -24.4352 29.2885 -33.0071 29.2885 47.1714 30.2054 -33.0071 30.2053 -19.4753 GPRESSAVG: 3724800 -22.2874 30.0352 -34.0961 28.4877 46.2446 30.8675 -30.6092 28.4678 -20.7152 TIMING: 3724800 CPU: 11775.3, 0.00314339/step Wall: 11775.3, 0.00314339/step, 1.11346 hours remaining, 237.902344 MB of memory in use. ENERGY: 3724800 4039.8627 20547.1932 14495.0874 269.0621 -203435.2013 2698.9757 0.0000 0.0000 52017.4639 -109367.5563 298.9451 -161385.0202 -109009.0823 299.9129 99.2210 124.2390 759532.4183 1.0870 1.0807 PRESSURE: 3725000 160.437 37.5918 -67.0934 37.5925 159.357 -40.7753 -67.0925 -40.7763 35.1057 GPRESSURE: 3725000 217.937 24.1796 -110.622 17.7065 95.6947 -38.1175 -47.4096 -126.629 120.281 PRESSAVG: 3725000 8.9538 26.7396 -44.3966 26.7395 -11.7117 16.3687 -44.3966 16.3686 -20.9758 GPRESSAVG: 3725000 8.4385 25.6091 -43.3621 26.2009 -12.3954 17.1578 -45.8261 15.693 -19.1978 TIMING: 3725000 CPU: 11775.9, 0.00315503/step Wall: 11775.9, 0.00315503/step, 1.11741 hours remaining, 237.902344 MB of memory in use. ENERGY: 3725000 3906.8065 20679.9704 14476.2474 246.7754 -203427.1155 2722.4493 0.0000 0.0000 52077.5203 -109317.3461 299.2902 -161394.8664 -108954.1973 299.0108 118.2998 144.6377 761727.9178 -7.9112 -7.7183 PRESSURE: 3725200 133.919 44.0431 -22.2099 44.043 -134.285 51.4437 -22.2102 51.4445 -438.861 GPRESSURE: 3725200 101.896 66.1976 -69.7365 -57.6428 -94.0076 49.1307 238.394 43.4786 -359.064 PRESSAVG: 3725200 3.81487 -6.78214 5.24039 -6.78215 -13.0274 -2.62592 5.24039 -2.62588 11.554 GPRESSAVG: 3725200 3.97361 -7.75478 7.07648 -6.96601 -12.8262 -2.75767 4.40694 -2.31662 11.4194 TIMING: 3725200 CPU: 11776.6, 0.0031749/step Wall: 11776.6, 0.0031749/step, 1.12427 hours remaining, 237.902344 MB of memory in use. ENERGY: 3725200 4017.4525 20589.6840 14453.5226 248.8312 -203719.6232 2799.2073 0.0000 0.0000 52312.4832 -109298.4424 300.6406 -161610.9256 -108935.6105 299.3007 -146.4089 -117.0587 762077.6807 0.7805 0.8556 PRESSURE: 3725400 171.686 30.9706 -214.565 30.9704 266.512 144.1 -214.565 144.1 17.8048 GPRESSURE: 3725400 186.47 138.756 -275.676 62.7569 326.599 151.881 -188.988 177.494 48.1491 PRESSAVG: 3725400 1.28626 -9.9058 29.7 -9.90577 41.613 56.0458 29.7 56.0457 19.9036 GPRESSAVG: 3725400 0.104377 -7.94266 27.3407 -8.14958 43.0308 55.5612 31.392 55.721 20.2345 TIMING: 3725400 CPU: 11777.2, 0.00317654/step Wall: 11777.2, 0.00317655/step, 1.12467 hours remaining, 237.902344 MB of memory in use. ENERGY: 3725400 4033.9614 20373.9432 14417.1624 244.2923 -203707.0891 2895.9875 0.0000 0.0000 52409.1621 -109332.5803 301.1962 -161741.7424 -108964.7321 300.1691 152.0010 187.0730 759409.5648 20.9343 21.1232 PRESSURE: 3725600 -166.14 -115.792 14.821 -115.791 259.969 11.566 14.8214 11.5671 480.254 GPRESSURE: 3725600 -81.7648 -76.36 -31.5541 -80.8493 265.152 93.8415 62.7959 -67.1519 481.884 PRESSAVG: 3725600 -20.307 30.0646 -0.0808867 30.0646 11.1815 7.10768 -0.0809356 7.10766 -12.0707 GPRESSAVG: 3725600 -20.5228 31.0559 -1.22275 29.0959 10.9951 6.29083 0.632431 8.42009 -11.8914 TIMING: 3725600 CPU: 11777.8, 0.00315271/step Wall: 11777.8, 0.00315271/step, 1.11606 hours remaining, 237.902344 MB of memory in use. ENERGY: 3725600 4081.6070 20556.4693 14385.1513 250.3092 -203671.3203 2826.2505 0.0000 0.0000 52269.0810 -109302.4521 300.3911 -161571.5331 -108942.9488 300.2081 191.3611 221.7570 760373.8302 -7.0654 -7.1397 PRESSURE: 3725800 -116.322 -128.718 43.5746 -128.718 287.657 -21.6162 43.5743 -21.6162 -65.6627 GPRESSURE: 3725800 -15.0149 -188.822 118.649 -142.563 268.394 84.184 -31.3207 -68.8843 -49.4194 PRESSAVG: 3725800 -18.7081 -22.9396 42.4392 -22.9396 46.3073 12.3225 42.4392 12.3225 9.1349 GPRESSAVG: 3725800 -18.6202 -26.4227 43.7038 -23.3909 46.982 14.9134 42.463 10.5797 8.2163 TIMING: 3725800 CPU: 11778.5, 0.00317035/step Wall: 11778.5, 0.00317035/step, 1.12213 hours remaining, 237.902344 MB of memory in use. ENERGY: 3725800 3966.6669 20640.8388 14458.5094 242.6452 -203345.4691 2623.2564 0.0000 0.0000 52187.3677 -109226.1848 299.9215 -161413.5525 -108861.2288 299.8675 35.2241 67.9865 759854.2441 12.2447 12.1927 PRESSURE: 3726000 -98.4593 1.88167 96.8805 1.88255 -272.65 -271.847 96.88 -271.847 215.023 GPRESSURE: 3726000 -13.6267 -14.252 103.539 -33.8289 -294.84 -292.083 -62.0205 -354.79 237.229 PRESSAVG: 3726000 -26.1213 -38.0623 41.8881 -38.0623 -3.84529 -10.3326 41.8881 -10.3326 -2.50666 GPRESSAVG: 3726000 -24.9563 -34.9683 42.5403 -38.357 -5.69343 -10.9644 40.4955 -8.69175 -2.08086 TIMING: 3726000 CPU: 11779.1, 0.0031822/step Wall: 11779.1, 0.0031822/step, 1.12615 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3726000 4016.1815 20756.2321 14459.2222 245.1264 -203488.2303 2684.0154 0.0000 0.0000 52042.1769 -109285.2759 299.0871 -161327.4528 -108915.4819 299.6499 -52.0289 -23.7457 760379.5004 -10.8244 -10.9102 PRESSURE: 3726200 -34.7484 63.0216 209.63 63.0215 -314.728 -17.0698 209.631 -17.0703 -77.9219 GPRESSURE: 3726200 -91.4799 23.4577 169.748 -10.8842 -217.012 -11.0146 229.873 -38.0694 -20.4583 PRESSAVG: 3726200 56.7379 -25.7707 38.0866 -25.7708 -54.5432 45.9405 38.0866 45.9405 -8.99618 GPRESSAVG: 3726200 55.9688 -26.0633 36.789 -26.2035 -53.7586 44.6524 37.8561 45.1966 -8.94015 TIMING: 3726200 CPU: 11779.7, 0.0031552/step Wall: 11779.7, 0.00315521/step, 1.11642 hours remaining, 237.902344 MB of memory in use. ENERGY: 3726200 4102.2290 20620.1845 14507.1758 245.0349 -203532.8251 2614.4954 0.0000 0.0000 52319.7961 -109123.9094 300.6826 -161443.7056 -108760.9811 300.0526 -142.4662 -109.6502 761003.5223 -2.2671 -2.2433 PRESSURE: 3726400 -544.493 71.0554 167.548 71.0556 -114.943 -79.3613 167.549 -79.3615 -531.757 GPRESSURE: 3726400 -434.864 2.11127 138.424 158.092 -158.581 59.3262 108.765 -132.552 -519.999 PRESSAVG: 3726400 44.1866 -28.7563 35.2767 -28.7563 -39.9446 -13.1745 35.2766 -13.1744 26.4104 GPRESSAVG: 3726400 43.928 -30.9743 36.6494 -28.7138 -39.4887 -11.3136 34.206 -13.3755 26.1261 TIMING: 3726400 CPU: 11780.4, 0.0031601/step Wall: 11780.4, 0.0031601/step, 1.11797 hours remaining, 237.902344 MB of memory in use. ENERGY: 3726400 4093.6012 20619.6133 14516.0486 243.4729 -203436.7509 2543.7670 0.0000 0.0000 52227.6185 -109192.6295 300.1528 -161420.2480 -108827.2231 299.9393 -397.0644 -371.1479 763117.5331 10.2175 10.1885 PRESSURE: 3726600 335.616 -116.031 361.623 -116.031 -6.65098 34.7922 361.624 34.792 -440.809 GPRESSURE: 3726600 321.259 35.4027 354.839 -164.852 -16.0443 61.7874 366.297 37.0643 -330.704 PRESSAVG: 3726600 -11.2085 -92.0551 41.6925 -92.0551 -17.3316 -7.03665 41.6925 -7.03663 -21.9712 GPRESSAVG: 3726600 -11.7337 -89.4854 40.9314 -92.1229 -18.6488 -8.08803 41.4309 -8.24572 -20.3844 TIMING: 3726600 CPU: 11781, 0.00313365/step Wall: 11781, 0.00313365/step, 1.10844 hours remaining, 237.902344 MB of memory in use. ENERGY: 3726600 4090.2556 20742.4212 14501.8701 252.2799 -203502.7850 2627.4687 0.0000 0.0000 51970.0015 -109318.4878 298.6723 -161288.4894 -108960.3796 299.6095 -37.2815 -8.4966 762197.6890 -16.8371 -16.9223 PRESSURE: 3726800 -248.189 27.8979 45.6616 27.8975 96.8857 -250.507 45.6611 -250.507 -48.3678 GPRESSURE: 3726800 -226.323 0.604268 23.8238 94.0989 178.701 -138.83 54.9034 -252.119 -78.016 PRESSAVG: 3726800 -15.0267 -51.489 11.5493 -51.4889 30.8543 -13.496 11.5493 -13.4961 8.22424 GPRESSAVG: 3726800 -14.2994 -53.9125 11.5777 -49.0309 31.959 -13.819 11.1095 -11.37 6.18469 TIMING: 3726800 CPU: 11781.6, 0.00314203/step Wall: 11781.6, 0.00314203/step, 1.11123 hours remaining, 237.902344 MB of memory in use. ENERGY: 3726800 4095.7534 20409.6500 14506.3999 255.2433 -203557.3517 2769.0521 0.0000 0.0000 52197.7874 -109323.4656 299.9814 -161521.2531 -108956.5746 299.8734 -66.5572 -41.8793 762076.6504 8.0173 7.9481 PRESSURE: 3727000 36.8614 -47.389 291.73 -47.3891 3.98015 76.0146 291.731 76.0146 -29.0079 GPRESSURE: 3727000 127.164 5.39194 150.3 39.0156 -1.93277 40.5696 53.1544 64.7631 -21.9529 PRESSAVG: 3727000 -19.9377 -47.031 0.832818 -47.031 62.075 -19.9591 0.832826 -19.9591 -12.8319 GPRESSAVG: 3727000 -20.8316 -45.5831 -0.296699 -50.2086 62.0195 -19.2981 3.66316 -21.702 -11.5855 TIMING: 3727000 CPU: 11782.2, 0.00315693/step Wall: 11782.2, 0.00315693/step, 1.11633 hours remaining, 237.902344 MB of memory in use. ENERGY: 3727000 4029.5582 20537.8030 14449.4935 241.1989 -203851.8600 2875.7956 0.0000 0.0000 52128.2691 -109589.7416 299.5819 -161718.0106 -109231.2007 299.4454 3.9445 34.4261 760276.4553 9.7685 9.8675 PRESSURE: 3727200 -47.8845 -70.8179 -175.767 -70.8177 199.482 26.018 -175.767 26.0186 250.517 GPRESSURE: 3727200 -35.196 9.08123 -139.639 -57.5519 221.798 -5.31132 -140.991 -33.8402 284.039 PRESSAVG: 3727200 -1.90711 -44.2366 2.07167 -44.2366 -18.581 -49.034 2.07165 -49.034 22.4893 GPRESSAVG: 3727200 -2.34864 -44.5834 2.8937 -42.6897 -17.2565 -49.8933 1.68047 -49.776 21.4751 TIMING: 3727200 CPU: 11782.9, 0.00313291/step Wall: 11782.9, 0.00313291/step, 1.10766 hours remaining, 237.902344 MB of memory in use. ENERGY: 3727200 4066.0618 20551.5573 14463.7234 242.5774 -203779.6649 2889.9600 0.0000 0.0000 52064.0238 -109501.7612 299.2127 -161565.7850 -109141.7062 299.4746 134.0379 156.8801 762057.9829 0.6671 0.6233 PRESSURE: 3727400 86.2117 4.67283 -8.99267 4.673 71.9869 -229.371 -8.99234 -229.37 194 GPRESSURE: 3727400 17.6224 59.9988 38.1799 -34.4837 207.287 -194.828 20.0565 -156.931 198.467 PRESSAVG: 3727400 11.8083 2.25563 -65.5164 2.25565 16.6861 -18.6434 -65.5165 -18.6434 24.2173 GPRESSAVG: 3727400 12.2978 2.09846 -65.2901 0.164878 15.2117 -18.5229 -63.9857 -17.7455 24.7192 TIMING: 3727400 CPU: 11783.5, 0.00313928/step Wall: 11783.5, 0.00313928/step, 1.10974 hours remaining, 237.902344 MB of memory in use. ENERGY: 3727400 3937.2508 20586.2911 14383.7094 239.1352 -203443.7159 2531.8775 0.0000 0.0000 51854.6752 -109910.7766 298.0095 -161765.4518 -109550.1477 298.8099 117.3994 141.1253 759655.1361 17.5706 17.4096 PRESSURE: 3727600 -221.519 -18.7583 285.145 -18.7588 -246.666 -133.093 285.146 -133.094 106.833 GPRESSURE: 3727600 -180.359 41.3838 228.064 100.506 -231.285 -142.199 199.312 -49.6821 126.493 PRESSAVG: 3727600 -19.4943 -0.18829 -1.60625 -0.188256 39.5776 -31.7556 -1.60623 -31.7554 1.40981 GPRESSAVG: 3727600 -20.9452 1.86948 -2.66593 1.25478 40.4714 -32.8735 -4.05726 -29.8953 1.97946 TIMING: 3727600 CPU: 11784.1, 0.00312809/step Wall: 11784.1, 0.00312809/step, 1.10561 hours remaining, 237.902344 MB of memory in use. ENERGY: 3727600 4049.8076 20538.7346 14368.1259 227.4329 -203482.9526 2766.7708 0.0000 0.0000 51824.1547 -109707.9262 297.8341 -161532.0809 -109342.1793 298.2918 -120.4511 -95.0502 763237.9450 7.1644 7.1686 PRESSURE: 3727800 98.239 -109.445 -203.486 -109.445 -121.821 273.911 -203.486 273.91 249.274 GPRESSURE: 3727800 150.22 -36.8382 -196.717 -20.1887 -154.212 236.469 -171.399 263.747 301.818 PRESSAVG: 3727800 19.8826 -11.2423 -20.9439 -11.2423 -15.354 -2.29948 -20.9439 -2.29945 7.82068 GPRESSAVG: 3727800 21.6068 -13.4366 -18.3909 -10.5016 -16.4505 -0.653352 -20.0354 -5.18359 7.58513 TIMING: 3727800 CPU: 11784.7, 0.00312152/step Wall: 11784.7, 0.00312152/step, 1.10311 hours remaining, 237.902344 MB of memory in use. ENERGY: 3727800 3958.3632 20525.9791 14463.7937 267.7039 -203553.4161 2861.0499 0.0000 0.0000 51949.9092 -109526.6172 298.5568 -161476.5263 -109169.8866 298.7531 75.2305 99.2752 763724.3234 4.1164 4.2471 PRESSURE: 3728000 137.458 -171.025 33.4526 -171.025 340.107 -34.5916 33.4533 -34.5909 30.2843 GPRESSURE: 3728000 250.64 -165.372 98.896 -54.2503 334.56 31.0979 95.5015 11.2816 22.0565 PRESSAVG: 3728000 -5.99946 -47.686 25.2981 -47.6861 60.5989 4.42515 25.2981 4.42513 -0.221565 GPRESSAVG: 3728000 -6.77517 -46.794 24.6207 -49.8011 62.4691 3.82981 24.0668 6.53931 -0.81388 TIMING: 3728000 CPU: 11785.4, 0.00312969/step Wall: 11785.4, 0.00312969/step, 1.10582 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3728000 3992.5155 20485.7208 14489.6500 234.8692 -203750.3020 2936.9343 0.0000 0.0000 52103.8706 -109506.7417 299.4417 -161610.6123 -109143.3641 299.2089 169.2830 202.4190 763049.7159 18.1260 18.2934 PRESSURE: 3728200 102.204 19.933 125.156 19.9335 73.1439 227.846 125.156 227.846 343.997 GPRESSURE: 3728200 132.732 84.1391 87.0809 41.5489 113.184 193.645 67.3107 168.534 360.888 PRESSAVG: 3728200 -10.5175 -43.5473 -5.20958 -43.5474 -9.63933 47.0074 -5.2096 47.0073 -2.16154 GPRESSAVG: 3728200 -9.84501 -44.0152 -6.12381 -42.9984 -10.6149 48.187 -2.04594 44.5748 -1.59362 TIMING: 3728200 CPU: 11786, 0.00313582/step Wall: 11786, 0.00313582/step, 1.10782 hours remaining, 237.902344 MB of memory in use. ENERGY: 3728200 3945.1960 20551.4415 14433.9546 244.3257 -203613.2894 3032.6459 0.0000 0.0000 51952.7994 -109452.9262 298.5735 -161405.7256 -109098.3549 299.1662 173.1151 202.2680 761887.7062 -7.4395 -7.3512 LDB: ============= START OF LOAD BALANCING ============== 11798.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11798.4 LDB: =============== DONE WITH MIGRATION ================ 11798.4 LDB: ============= START OF LOAD BALANCING ============== 11798.7 LDB: Largest compute 7038 load 0.034998 is 17.9% of average load 0.196015 LDB: Average compute 0.004404 is 2.2% of average load 0.196015 LDB: TIME 11798.7 LOAD: AVG 0.196015 MAX 0.212992 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.445 MB LDB: TIME 11798.7 LOAD: AVG 0.196015 MAX 0.212992 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.648 MB LDB: TIME 11798.7 LOAD: AVG 0.196015 MAX 0.212992 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11798.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11798.7 PRESSURE: 3728400 -126.799 105.275 -239.181 105.275 -216.205 10.7219 -239.18 10.7226 -24.4134 GPRESSURE: 3728400 -67.4007 82.6023 -142.178 65.0115 -180.71 104.131 -301.747 -128.427 -21.2224 PRESSAVG: 3728400 2.58411 -32.4352 33.5039 -32.4353 18.379 37.1185 33.5039 37.1186 18.5438 GPRESSAVG: 3728400 2.39932 -32.1932 34.2581 -33.2452 19.3998 36.7921 31.4859 38.6836 18.2983 TIMING: 3728400 CPU: 11786.6, 0.0032074/step Wall: 11786.6, 0.0032074/step, 1.13293 hours remaining, 238.613281 MB of memory in use. ENERGY: 3728400 4072.0425 20412.0756 14412.5392 234.2374 -203394.4361 2735.2920 0.0000 0.0000 52051.2237 -109477.0257 299.1391 -161528.2494 -109122.9582 299.1380 -122.4723 -89.7776 763241.6537 13.1690 13.3658 PRESSURE: 3728600 358.049 37.7358 316.388 37.7362 335.427 -18.0374 316.388 -18.0372 36.1664 GPRESSURE: 3728600 426.635 0.887174 319.987 -58.1736 291.819 -35.6725 344.342 -3.52738 69.6091 PRESSAVG: 3728600 25.1067 -52.8092 13.1579 -52.8092 -43.5213 4.71256 13.1579 4.71258 -12.5947 GPRESSAVG: 3728600 25.165 -52.7071 11.0825 -51.9336 -43.6249 2.38902 13.7848 4.49037 -12.5226 TIMING: 3728600 CPU: 11787.3, 0.00315737/step Wall: 11787.3, 0.00315737/step, 1.11508 hours remaining, 238.816406 MB of memory in use. ENERGY: 3728600 3971.5525 20587.7784 14473.0615 262.4834 -203680.7101 2963.2813 0.0000 0.0000 51847.8976 -109574.6556 297.9706 -161422.5531 -109205.5368 298.7119 243.2141 262.6875 763371.6611 -10.3364 -10.3275 PRESSURE: 3728800 -29.4651 253.766 36.0409 253.766 260.989 82.403 36.0393 82.4029 -148.963 GPRESSURE: 3728800 -79.8978 126.045 84.2116 267.295 303.712 158.522 -7.57319 98.7326 -46.9712 PRESSAVG: 3728800 -19.6117 0.69147 11.8924 0.691459 19.3871 8.71582 11.8923 8.71571 -6.91833 GPRESSAVG: 3728800 -20.2579 1.31599 11.7629 1.56116 18.3692 10.915 11.5481 7.79352 -5.23349 TIMING: 3728800 CPU: 11787.9, 0.00314497/step Wall: 11787.9, 0.00314497/step, 1.11052 hours remaining, 238.816406 MB of memory in use. ENERGY: 3728800 3894.5714 20528.2636 14502.6662 257.3666 -203325.1325 2753.7106 0.0000 0.0000 52115.2820 -109273.2722 299.5072 -161388.5542 -108899.1921 299.4819 27.5204 58.9476 764197.4701 -2.3810 -2.3741 PRESSURE: 3729000 -298.22 10.429 3.41572 10.4288 -206.426 -60.3282 3.4153 -60.3283 -377.94 GPRESSURE: 3729000 -162.124 20.3978 -74.5596 -52.3013 -197.035 -58.9189 -4.49638 -72.9981 -429.679 PRESSAVG: 3729000 10.1302 -5.81392 37.1113 -5.81383 -33.8305 -22.3831 37.1112 -22.383 -5.42881 GPRESSAVG: 3729000 9.71 -8.11528 39.0472 -6.04762 -31.7735 -22.079 35.9402 -21.216 -7.3112 TIMING: 3729000 CPU: 11788.5, 0.00315579/step Wall: 11788.5, 0.00315579/step, 1.11417 hours remaining, 238.816406 MB of memory in use. ENERGY: 3729000 4040.2074 20539.5836 14455.1709 243.4979 -202957.6653 2401.6225 0.0000 0.0000 51850.7999 -109426.7832 297.9873 -161277.5831 -109059.6295 299.2040 -294.1954 -262.9460 764291.0647 -9.7097 -9.7916 PRESSURE: 3729200 478.995 56.9551 41.687 56.9563 -88.6268 -156.639 41.6876 -156.639 52.531 GPRESSURE: 3729200 459.007 204.66 58.3207 -25.2303 -21.8746 -120.836 165.977 -46.3923 68.8633 PRESSAVG: 3729200 -45.9309 -40.445 66.5957 -40.4449 8.59615 -32.1383 66.5957 -32.1383 3.84494 GPRESSAVG: 3729200 -45.6456 -38.2547 66.5613 -41.1307 6.78852 -32.4442 68.0263 -33.9549 5.56771 TIMING: 3729200 CPU: 11789.2, 0.00314612/step Wall: 11789.2, 0.00314612/step, 1.11058 hours remaining, 238.816406 MB of memory in use. ENERGY: 3729200 3975.1990 20557.3097 14408.0223 248.7414 -203613.8251 2883.0494 0.0000 0.0000 52031.2034 -109510.2999 299.0240 -161541.5033 -109148.9677 298.7190 147.6332 168.6652 762687.3040 -11.1633 -11.0965 PRESSURE: 3729400 61.0183 21.4922 -51.0906 21.4924 -234.657 -309.116 -51.0914 -309.117 128.736 GPRESSURE: 3729400 120.348 74.0541 -110.81 42.7295 -181.916 -349.05 66.0402 -179.298 116.863 PRESSAVG: 3729400 -11.6908 -27.7604 43.4022 -27.7605 60.2703 -53.8576 43.4022 -53.8577 -4.13769 GPRESSAVG: 3729400 -10.9499 -28.7376 41.53 -27.0118 61.2587 -55.4627 42.6946 -52.3848 -5.57534 TIMING: 3729400 CPU: 11789.8, 0.00315356/step Wall: 11789.8, 0.00315356/step, 1.11303 hours remaining, 238.816406 MB of memory in use. ENERGY: 3729400 4032.1100 20434.0639 14484.0260 243.3210 -203404.5590 2669.1777 0.0000 0.0000 52073.5504 -109468.3101 299.2674 -161541.8605 -109103.5534 299.4395 -14.9674 18.4314 762247.8942 14.8139 14.9111 PRESSURE: 3729600 -273.458 187.2 47.6504 187.199 -11.4255 -222.847 47.6502 -222.846 317.208 GPRESSURE: 3729600 -203.177 161.822 117.011 113.51 37.1426 -211.439 -61.6893 -176.654 268.035 PRESSAVG: 3729600 19.7765 -16.1427 36.1532 -16.1426 29.8436 -7.55812 36.1532 -7.55814 4.6491 GPRESSAVG: 3729600 19.033 -15.2012 37.99 -17.874 29.5726 -5.99344 35.5909 -6.33401 5.31511 TIMING: 3729600 CPU: 11790.4, 0.00314952/step Wall: 11790.4, 0.00314952/step, 1.11143 hours remaining, 238.816406 MB of memory in use. ENERGY: 3729600 3864.9283 20604.8166 14486.2033 245.6923 -203224.5483 2596.8816 0.0000 0.0000 52079.5436 -109346.4826 299.3019 -161426.0262 -108977.5218 299.8084 10.7748 34.0001 762532.8507 18.0898 17.9736 PRESSURE: 3729800 210.863 140.501 226.545 140.502 -65.792 -134.22 226.544 -134.22 -76.6649 GPRESSURE: 3729800 216.038 124.015 163.374 189.802 -91.7704 -92.7946 188.924 -56.8161 35.0397 PRESSAVG: 3729800 -4.15208 -44.6174 26.3473 -44.6174 7.62597 -5.87278 26.3472 -5.87278 1.79388 GPRESSAVG: 3729800 -3.44138 -45.595 25.4155 -42.4332 6.79667 -8.00817 26.2281 -8.07393 1.89389 TIMING: 3729800 CPU: 11791.1, 0.00316316/step Wall: 11791.1, 0.00316316/step, 1.11607 hours remaining, 238.816406 MB of memory in use. ENERGY: 3729800 3891.9078 20529.4462 14528.1985 221.7126 -203249.5869 2651.1359 0.0000 0.0000 52015.5017 -109411.6841 298.9338 -161427.1858 -109052.6605 299.5337 22.8020 53.1024 761883.5160 1.7559 1.7497 PRESSURE: 3730000 83.0372 51.9663 39.2668 51.9665 -178.678 24.9529 39.2662 24.9525 181.209 GPRESSURE: 3730000 152.571 32.0466 54.4732 91.5254 -139.976 -21.8807 138.874 154.176 161.204 PRESSAVG: 3730000 48.8991 -15.7392 -26.0246 -15.7392 -22.7218 31.9182 -26.0246 31.9183 -1.51388 GPRESSAVG: 3730000 48.8394 -13.6778 -25.0274 -17.5302 -22.7591 33.7672 -25.9488 33.3893 -1.13811 TIMING: 3730000 CPU: 11791.7, 0.00315712/step Wall: 11791.7, 0.00315712/step, 1.11376 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3730000 3935.5747 20370.3326 14427.9035 252.0917 -203163.9982 2539.6604 0.0000 0.0000 52314.4642 -109323.9711 300.6519 -161638.4353 -108956.1355 299.2867 28.5227 57.9330 761821.5533 8.2211 8.3140 PRESSURE: 3730200 -65.6089 -301.813 63.9691 -301.813 -231.052 190.518 63.9684 190.518 204.833 GPRESSURE: 3730200 9.44033 -334.351 23.0003 -203.14 -161.997 214.208 162.855 69.0295 153.802 PRESSAVG: 3730200 21.2508 -9.86201 -40.5283 -9.86193 -4.42068 -12.9529 -40.5283 -12.953 -3.18475 GPRESSAVG: 3730200 21.3758 -10.0304 -42.0892 -11.2683 -4.26578 -14.1064 -38.4189 -12.8678 -3.91628 TIMING: 3730200 CPU: 11792.3, 0.00312521/step Wall: 11792.3, 0.00312521/step, 1.10233 hours remaining, 238.816406 MB of memory in use. ENERGY: 3730200 3964.7044 20601.6513 14479.3489 255.5492 -203357.2398 2722.1278 0.0000 0.0000 51926.4266 -109407.4317 298.4219 -161333.8583 -109049.8945 299.9305 -30.6094 0.4152 762693.6507 4.5484 4.3979 PRESSURE: 3730400 -165.072 5.73461 110.198 5.73487 -175.879 -172.165 110.198 -172.165 -260.607 GPRESSURE: 3730400 -163.119 -101.874 73.0107 142.703 -166.356 -97.7965 12.4379 -77.1822 -202.961 PRESSAVG: 3730400 50.2281 6.2983 -38.0972 6.29828 -72.3807 -8.07173 -38.0972 -8.07165 -1.75533 GPRESSAVG: 3730400 51.1918 6.49968 -37.7965 8.59672 -73.6254 -6.26236 -39.3683 -8.66193 -1.22638 TIMING: 3730400 CPU: 11792.9, 0.00315572/step Wall: 11792.9, 0.00315572/step, 1.11292 hours remaining, 238.816406 MB of memory in use. ENERGY: 3730400 4034.3359 20467.4817 14505.4500 254.5641 -202834.0733 2144.2707 0.0000 0.0000 51940.7420 -109487.2287 298.5042 -161427.9708 -109125.9606 299.2132 -200.5193 -177.4783 762609.2823 -7.9693 -7.8867 PRESSURE: 3730600 -88.8278 -1.27498 68.6405 -1.27384 89.6058 -136.214 68.6406 -136.214 148.075 GPRESSURE: 3730600 -69.2976 74.1288 -47.4654 19.6386 167.141 -162.43 -19.4817 -134.532 150.43 PRESSAVG: 3730600 -4.13138 26.3006 20.3543 26.3005 -12.1957 1.04626 20.3542 1.04625 8.13551 GPRESSAVG: 3730600 -4.67737 25.592 21.5669 24.4984 -10.3095 0.932919 18.4619 0.957888 6.97017 TIMING: 3730600 CPU: 11793.6, 0.00315164/step Wall: 11793.6, 0.00315164/step, 1.1113 hours remaining, 238.816406 MB of memory in use. ENERGY: 3730600 4019.5625 20413.1331 14496.1075 268.1146 -203766.6982 2905.3787 0.0000 0.0000 52023.1645 -109641.2374 298.9778 -161664.4019 -109270.6420 298.8708 49.6176 82.7579 761888.7203 -2.7305 -2.6722 PRESSURE: 3730800 229.478 -115.966 10.5171 -115.966 65.55 -71.0905 10.5167 -71.0903 -250.465 GPRESSURE: 3730800 332.231 -145.954 51.0949 -116.209 -12.6555 -152.167 182.206 33.0726 -176.355 PRESSAVG: 3730800 26.3852 -26.0372 20.6854 -26.0372 -45.5993 30.3757 20.6853 30.3758 -19.4809 GPRESSAVG: 3730800 26.363 -25.364 20.3691 -25.9725 -45.7528 29.7415 22.9346 29.787 -18.904 TIMING: 3730800 CPU: 11794.2, 0.00314776/step Wall: 11794.2, 0.00314776/step, 1.10976 hours remaining, 238.816406 MB of memory in use. ENERGY: 3730800 4026.9805 20499.5106 14489.0653 241.8855 -203389.5519 2572.9953 0.0000 0.0000 51984.4697 -109574.6451 298.7555 -161559.1148 -109216.6341 298.9571 14.8545 47.7404 761560.3765 -12.8983 -12.7646 PRESSURE: 3731000 14.9813 -111.906 -26.6522 -111.906 202.282 117.504 -26.6521 117.503 33.2566 GPRESSURE: 3731000 74.9176 -118.496 -25.3653 -186.661 214.215 48.3382 -80.7465 65.9394 45.4568 PRESSAVG: 3731000 27.3966 -20.1269 -22.0285 -20.1269 -29.0946 -11.551 -22.0284 -11.5511 19.2994 GPRESSAVG: 3731000 27.173 -21.7449 -22.8391 -20.2683 -29.4359 -12.2904 -21.7355 -10.4698 19.7968 TIMING: 3731000 CPU: 11794.8, 0.00315008/step Wall: 11794.8, 0.00315008/step, 1.1104 hours remaining, 238.816406 MB of memory in use. ENERGY: 3731000 3898.0214 20425.8477 14440.5097 254.3349 -203284.1729 2888.8560 0.0000 0.0000 51837.0785 -109539.5246 297.9084 -161376.6032 -109175.0005 298.6767 83.5067 111.5299 761642.7406 5.8672 5.8446 PRESSURE: 3731200 -101.059 -91.1101 262.358 -91.1118 32.2872 221.216 262.359 221.215 -317.4 GPRESSURE: 3731200 -107.641 26.2407 231.842 9.89069 90.2674 166.873 363.926 288.915 -272.357 PRESSAVG: 3731200 -35.0175 -29.5312 12.7375 -29.5312 17.5013 -21.0647 12.7375 -21.0648 8.29994 GPRESSAVG: 3731200 -34.6636 -28.2693 12.8305 -26.5999 18.4777 -19.6456 12.6888 -21.7686 7.38239 TIMING: 3731200 CPU: 11795.5, 0.00316673/step Wall: 11795.5, 0.00316673/step, 1.1161 hours remaining, 238.816406 MB of memory in use. ENERGY: 3731200 3941.3955 20430.5924 14422.6564 257.4073 -203154.8583 2694.2167 0.0000 0.0000 52018.4453 -109390.1447 298.9507 -161408.5900 -109015.4535 299.1517 -128.7240 -96.5769 762976.8685 -3.0721 -2.9345 PRESSURE: 3731400 319.62 229.624 299.372 229.624 400.777 -294.089 299.372 -294.088 196.471 GPRESSURE: 3731400 370.541 171.415 274.491 49.1816 391.252 -238.828 290.724 -145.67 236.934 PRESSAVG: 3731400 -2.38375 25.0327 -3.50464 25.0326 -30.4819 30.5164 -3.50464 30.5164 -0.177206 GPRESSAVG: 3731400 -2.58672 23.4113 -3.35947 22.9834 -31.7059 28.6809 -4.34674 29.823 1.29913 TIMING: 3731400 CPU: 11796.1, 0.00318504/step Wall: 11796.1, 0.00318504/step, 1.12237 hours remaining, 238.816406 MB of memory in use. ENERGY: 3731400 3898.8015 20481.7467 14450.1757 248.0538 -203368.9835 2722.1109 0.0000 0.0000 52065.6407 -109502.4541 299.2220 -161568.0948 -109145.5138 299.0055 305.6225 332.9092 762476.9760 -11.0143 -10.9978 PRESSURE: 3731600 -11.109 -186.968 -106.667 -186.968 -47.3874 -100.07 -106.667 -100.071 174.222 GPRESSURE: 3731600 68.063 -196.597 -51.9894 -245.86 -105.865 -198.802 -143.822 -41.7183 221.841 PRESSAVG: 3731600 -1.30047 33.4725 60.479 33.4725 40.2304 1.67624 60.479 1.67629 12.7382 GPRESSAVG: 3731600 -1.50819 34.2224 61.1914 34.6844 40.902 3.29565 58.9272 1.37917 11.7043 TIMING: 3731600 CPU: 11796.7, 0.00317892/step Wall: 11796.7, 0.00317892/step, 1.12004 hours remaining, 238.816406 MB of memory in use. ENERGY: 3731600 3925.5659 20612.9261 14414.2278 250.1864 -203482.4933 2888.1633 0.0000 0.0000 51998.9822 -109392.4416 298.8389 -161391.4238 -109036.2685 299.2377 38.5753 61.3463 761723.9255 17.2227 17.0327 PRESSURE: 3731800 398.074 159.123 -31.4301 159.122 -110.218 51.3374 -31.4294 51.3373 -19.4366 GPRESSURE: 3731800 429.186 243.535 -58.281 74.5662 -11.721 183.404 -67.7393 -155.52 -66.4621 PRESSAVG: 3731800 18.6608 -31.9605 9.32214 -31.9605 -19.259 -36.6115 9.32212 -36.6115 -19.0195 GPRESSAVG: 3731800 17.6211 -33.7545 8.92517 -30.723 -18.903 -36.8709 11.3909 -36.6614 -18.5737 TIMING: 3731800 CPU: 11797.4, 0.0032502/step Wall: 11797.4, 0.0032502/step, 1.14497 hours remaining, 238.816406 MB of memory in use. ENERGY: 3731800 3988.8736 20516.8426 14494.8356 235.9242 -203199.5232 2551.7632 0.0000 0.0000 52088.8231 -109322.4609 299.3552 -161411.2840 -108951.5224 299.4508 89.4732 117.0008 763106.7316 -6.5393 -6.6185 PRESSURE: 3732000 162.283 23.2136 -110.95 23.2139 -34.4283 -105.347 -110.951 -105.348 263.671 GPRESSURE: 3732000 207.557 -45.9864 -220.223 108.177 -1.79191 -127.237 -53.3811 -115.899 266.401 PRESSAVG: 3732000 26.8564 -52.6835 -3.75878 -52.6835 -81.2925 19.7759 -3.75876 19.7758 -44.1688 GPRESSAVG: 3732000 28.3762 -53.5781 -5.37553 -54.2841 -84.043 20.1133 -3.28505 20.0017 -42.443 TIMING: 3732000 CPU: 11798, 0.00321179/step Wall: 11798, 0.00321179/step, 1.13126 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3732000 4023.9784 20646.3667 14481.7686 268.6383 -203472.8318 2786.7763 0.0000 0.0000 52055.8681 -109209.4355 299.1658 -161265.3036 -108842.5031 299.5673 130.5086 157.3887 761669.6106 -32.8683 -32.7033 PRESSURE: 3732200 55.2793 -143.81 172.7 -143.809 -677.961 -195.371 172.7 -195.37 -14.8864 GPRESSURE: 3732200 68.9396 -75.3262 169.66 -111.974 -616.069 -104.05 192.386 -27.7008 -14.8341 PRESSAVG: 3732200 -22.8442 -13.746 26.965 -13.746 10.2081 0.472844 26.9651 0.472887 -5.0598 GPRESSAVG: 3732200 -23.8422 -11.1176 28.6204 -13.3796 13.2366 -0.884993 26.2591 2.48476 -7.66077 TIMING: 3732200 CPU: 11798.7, 0.00321057/step Wall: 11798.7, 0.00321057/step, 1.13065 hours remaining, 238.816406 MB of memory in use. ENERGY: 3732200 3999.7047 20504.4140 14453.2343 233.4520 -203003.4000 2431.8232 0.0000 0.0000 52036.8058 -109343.9661 299.0562 -161380.7718 -108968.8962 299.6504 -212.5228 -187.3212 762681.1103 -5.8986 -6.0888 LDB: ============= START OF LOAD BALANCING ============== 11811.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11811.1 LDB: =============== DONE WITH MIGRATION ================ 11811.1 LDB: ============= START OF LOAD BALANCING ============== 11811.4 LDB: Largest compute 7036 load 0.033092 is 16.9% of average load 0.196022 LDB: Average compute 0.004397 is 2.2% of average load 0.196022 LDB: TIME 11811.4 LOAD: AVG 0.196022 MAX 0.217256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 11811.4 LOAD: AVG 0.196022 MAX 0.217256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: TIME 11811.4 LOAD: AVG 0.196022 MAX 0.217256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: ============== END OF LOAD BALANCING =============== 11811.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11811.4 PRESSURE: 3732400 303.413 99.528 -74.8111 99.5281 -135.572 23.0596 -74.8109 23.059 22.1653 GPRESSURE: 3732400 319.219 104.38 -55.649 11.1828 -76.9521 -31.2365 -162.031 -63.5981 65.7034 PRESSAVG: 3732400 -10.6359 25.2085 -16.329 25.2085 8.6958 -26.288 -16.329 -26.2881 -1.49119 GPRESSAVG: 3732400 -11.6204 24.8992 -15.8716 23.9231 8.66547 -26.3823 -18.7284 -25.0304 -0.105924 TIMING: 3732400 CPU: 11799.3, 0.00327833/step Wall: 11799.3, 0.00327833/step, 1.15434 hours remaining, 238.613281 MB of memory in use. ENERGY: 3732400 3955.9658 20676.7871 14528.4144 260.7089 -204021.7198 3063.8375 0.0000 0.0000 51681.5525 -109854.4536 297.0146 -161536.0061 -109494.1189 298.5179 63.3356 102.6568 762462.9741 -1.1438 -1.0203 PRESSURE: 3732600 61.9773 -251.576 -4.30147 -251.576 -344.671 -96.9714 -4.30209 -96.9713 -98.5471 GPRESSURE: 3732600 46.9475 -263.258 -60.0789 -149.476 -253.645 -143.064 75.07 -2.57819 -112.92 PRESSAVG: 3732600 -7.13169 -45.315 50.9693 -45.3151 -7.54843 36.3808 50.9693 36.3808 -1.75781 GPRESSAVG: 3732600 -6.41429 -45.7005 49.2002 -45.3931 -7.54348 37.5385 53.2287 34.5773 -2.62315 TIMING: 3732600 CPU: 11800, 0.00316005/step Wall: 11800, 0.00316005/step, 1.11251 hours remaining, 238.613281 MB of memory in use. ENERGY: 3732600 4096.5419 20499.1710 14379.6846 239.3214 -203403.3802 2619.2662 0.0000 0.0000 51875.0804 -109694.3147 298.1268 -161569.3950 -109324.6946 298.6156 -127.0803 -106.5393 761561.1422 -5.4793 -5.5270 PRESSURE: 3732800 147.365 -139.387 -153.084 -139.387 -124.445 -88.0054 -153.085 -88.0057 143.203 GPRESSURE: 3732800 216.026 -201.017 -186.189 -1.6685 -78.3033 -55.9091 -107.105 -214.577 106.369 PRESSAVG: 3732800 -32.5244 -49.3816 42.721 -49.3815 44.3929 1.05792 42.721 1.05794 -9.05598 GPRESSAVG: 3732800 -32.2343 -49.2108 44.5256 -48.4333 43.4641 1.62839 42.1997 -0.252773 -9.04682 TIMING: 3732800 CPU: 11800.6, 0.00315246/step Wall: 11800.6, 0.00315246/step, 1.10966 hours remaining, 238.613281 MB of memory in use. ENERGY: 3732800 4053.2957 20580.7816 14353.8927 227.0462 -203612.4861 2603.3739 0.0000 0.0000 51898.8517 -109895.2443 298.2634 -161794.0960 -109522.1646 298.5856 55.3745 81.3638 761638.2969 0.9375 0.7277 PRESSURE: 3733000 117.412 -224.104 105.938 -224.104 -245.434 -7.1405 105.938 -7.14028 -98.2735 GPRESSURE: 3733000 169.859 -327.629 34.4565 -246.523 -263.907 -19.7877 183.683 -116.563 -29.1398 PRESSAVG: 3733000 -53.687 -31.7765 -5.17022 -31.7765 72.1892 -13.8744 -5.17019 -13.8744 24.7718 GPRESSAVG: 3733000 -56.1543 -30.8495 -5.23722 -34.2464 73.6168 -15.1419 -5.16717 -13.6602 25.6492 TIMING: 3733000 CPU: 11801.2, 0.00315091/step Wall: 11801.2, 0.00315091/step, 1.10895 hours remaining, 238.613281 MB of memory in use. ENERGY: 3733000 4001.8025 20430.4106 14447.8082 262.7725 -203702.7898 2798.0777 0.0000 0.0000 52096.6146 -109665.3036 299.4000 -161761.9182 -109294.9835 298.2995 -75.4318 -41.0623 762360.5990 14.4247 14.3706 PRESSURE: 3733200 546.851 -155.729 34.5263 -155.728 147.746 0.329468 34.5265 0.328863 146.435 GPRESSURE: 3733200 622.409 -153.683 -9.9461 -178.496 172.138 61.4951 82.989 44.5019 135.969 PRESSAVG: 3733200 5.7723 -52.7557 33.0003 -52.7557 35.5278 -34.8707 33.0002 -34.8707 33.607 GPRESSAVG: 3733200 7.04685 -52.894 31.8252 -49.4423 34.4911 -34.3356 31.9885 -33.2142 33.3061 TIMING: 3733200 CPU: 11801.9, 0.00315981/step Wall: 11801.9, 0.00315981/step, 1.1119 hours remaining, 238.613281 MB of memory in use. ENERGY: 3733200 3921.9034 20458.7412 14425.5784 257.5730 -203644.9216 2780.2354 0.0000 0.0000 52243.3132 -109557.5770 300.2430 -161800.8901 -109181.4413 298.9150 280.3439 310.1719 761467.0700 24.9690 24.9480 PRESSURE: 3733400 -81.9407 -78.6985 -113.056 -78.6988 54.8996 -187.007 -113.055 -187.007 -109.861 GPRESSURE: 3733400 16.3053 -93.3796 -142.481 -186.336 48.4178 -254.248 -125.498 -92.0713 -104.827 PRESSAVG: 3733400 15.649 -45.2739 -11.69 -45.2739 -8.3498 -73.5069 -11.6899 -73.5069 29.0137 GPRESSAVG: 3733400 16.28 -45.4291 -10.9536 -47.0306 -8.5216 -73.3692 -12.7052 -75.1965 28.5267 TIMING: 3733400 CPU: 11802.5, 0.00318932/step Wall: 11802.5, 0.00318932/step, 1.12211 hours remaining, 238.613281 MB of memory in use. ENERGY: 3733400 3897.4300 20562.8416 14421.2329 239.8537 -203751.8438 2814.8163 0.0000 0.0000 52228.0086 -109587.6607 300.1551 -161815.6693 -109219.0083 299.2689 -45.6339 -13.3680 761052.6627 12.1043 12.0950 PRESSURE: 3733600 -213.199 -84.0607 166.56 -84.0603 -242.3 -332.332 166.562 -332.333 -442.862 GPRESSURE: 3733600 -234.067 -74.2018 141.385 -101.925 -164.988 -336.533 126.438 -167.533 -431.956 PRESSAVG: 3733600 -14.2982 -22.6324 4.39152 -22.6324 23.9594 -46.3344 4.39157 -46.3344 14.602 GPRESSAVG: 3733600 -14.8875 -21.4687 4.09955 -23.2047 24.6618 -46.3629 7.53294 -45.7833 13.6513 TIMING: 3733600 CPU: 11803.1, 0.00320731/step Wall: 11803.1, 0.00320731/step, 1.12826 hours remaining, 238.613281 MB of memory in use. ENERGY: 3733600 3956.9583 20494.3231 14420.0729 263.2979 -203506.1143 2656.1236 0.0000 0.0000 52050.5455 -109664.7929 299.1352 -161715.3384 -109297.0584 299.0635 -299.4537 -277.0036 761739.4008 8.0877 7.8085 PRESSURE: 3733800 259.559 188.619 126.431 188.618 -72.1112 -62.0428 126.431 -62.0438 -227.015 GPRESSURE: 3733800 235.371 97.4798 145.958 144.144 12.4388 -146.384 109.245 70.891 -176.498 PRESSAVG: 3733800 24.0931 -80.6231 38.12 -80.6231 -0.25898 -42.1181 38.12 -42.1181 19.6482 GPRESSAVG: 3733800 24.0866 -81.3514 38.1365 -82.377 0.211877 -41.0207 36.7646 -42.2343 19.0775 TIMING: 3733800 CPU: 11803.8, 0.00320209/step Wall: 11803.8, 0.00320209/step, 1.12624 hours remaining, 238.613281 MB of memory in use. ENERGY: 3733800 4013.4004 20468.9726 14427.9833 252.6961 -203909.7242 2896.8252 0.0000 0.0000 52142.1129 -109707.7337 299.6614 -161849.8466 -109344.4275 299.1915 -13.1890 23.7708 762235.1587 14.4941 14.4587 PRESSURE: 3734000 159.763 -92.6523 -192.355 -92.6521 131.427 -3.6006 -192.356 -3.59957 342.007 GPRESSURE: 3734000 164.286 -122.855 -207.04 -103.708 228.202 -29.3886 -205.949 5.82029 345.011 PRESSAVG: 3734000 17.3947 -22.7004 -6.79168 -22.7003 -0.0304141 -18.2089 -6.79172 -18.2088 21.0265 GPRESSAVG: 3734000 15.8604 -22.5269 -7.13084 -22.1728 -0.110817 -18.7046 -6.13062 -18.3001 22.5596 TIMING: 3734000 CPU: 11804.4, 0.00319169/step Wall: 11804.4, 0.00319169/step, 1.12241 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3734000 4004.0056 20697.9587 14470.9077 277.0003 -204133.8472 3142.0700 0.0000 0.0000 51829.5369 -109712.3680 297.8651 -161541.9050 -109348.7563 299.0059 211.0657 245.8331 762624.9607 12.7969 12.7697 PRESSURE: 3734200 204.924 37.1472 -26.2369 37.1469 235.358 93.336 -26.2366 93.3368 60.592 GPRESSURE: 3734200 302.768 -46.4092 -71.7305 -7.0625 213.585 103.359 0.417649 36.7644 76.2933 PRESSAVG: 3734200 14.9178 -48.0628 20.4459 -48.0628 -9.12821 5.82185 20.4459 5.82194 -5.36943 GPRESSAVG: 3734200 15.9137 -47.8213 20.4158 -46.0262 -10.0725 3.94678 19.5911 6.73316 -5.3452 TIMING: 3734200 CPU: 11805.1, 0.00320624/step Wall: 11805.1, 0.00320624/step, 1.12735 hours remaining, 238.613281 MB of memory in use. ENERGY: 3734200 3951.2055 20328.0444 14383.7377 228.8605 -203477.9095 2796.2927 0.0000 0.0000 52074.4274 -109715.3414 299.2725 -161789.7688 -109343.5888 298.6352 166.9577 197.5486 762991.4645 0.1400 0.1653 PRESSURE: 3734400 111.064 68.4241 -146.463 68.4235 109.683 59.1947 -146.463 59.1927 768.608 GPRESSURE: 3734400 195.085 107.054 -163.819 30.46 67.836 104.918 -55.4629 -8.37546 810.083 PRESSAVG: 3734400 51.842 -22.9561 26.0202 -22.9562 -47.7941 -46.1225 26.0202 -46.1225 -5.46597 GPRESSAVG: 3734400 51.9274 -22.2504 27.0711 -25.8373 -48.2544 -45.3159 26.3732 -47.0748 -5.36896 TIMING: 3734400 CPU: 11805.7, 0.00315852/step Wall: 11805.7, 0.00315852/step, 1.1104 hours remaining, 238.613281 MB of memory in use. ENERGY: 3734400 3922.4864 20618.3809 14399.3563 253.6200 -203533.4325 2647.2260 0.0000 0.0000 51942.8232 -109749.5396 298.5161 -161692.3628 -109392.7856 298.6217 329.7850 357.6679 759781.2698 -0.4727 -0.5653 PRESSURE: 3734600 94.3376 57.3202 319.089 57.3201 329.75 -35.2993 319.089 -35.299 30.3148 GPRESSURE: 3734600 109.596 3.23274 237.425 45.9081 320.661 -103.012 245.6 6.52733 102.432 PRESSAVG: 3734600 -32.6365 -10.0912 40.3624 -10.0912 37.6334 6.61934 40.3624 6.61933 14.824 GPRESSAVG: 3734600 -32.8256 -12.1991 39.8628 -7.01247 38.5424 5.82149 42.0407 4.98043 14.6795 TIMING: 3734600 CPU: 11806.3, 0.00317047/step Wall: 11806.3, 0.00317047/step, 1.11442 hours remaining, 238.613281 MB of memory in use. ENERGY: 3734600 3986.6985 20654.5682 14460.6055 255.4563 -203251.0119 2749.0465 0.0000 0.0000 51710.6748 -109433.9621 297.1820 -161144.6369 -109080.0004 298.7180 151.4675 177.5628 761468.8493 6.6069 6.7988 PRESSURE: 3734800 44.0296 26.5259 122.1 26.526 -15.2183 420.295 122.1 420.295 95.8732 GPRESSURE: 3734800 64.1871 -55.2465 188.852 109.328 54.7271 439.105 61.8406 323.214 58.1201 PRESSAVG: 3734800 -28.8684 -53.8575 59.0972 -53.8575 0.883416 -5.27206 59.0972 -5.27204 -29.1726 GPRESSAVG: 3734800 -29.2069 -52.9254 61.3665 -53.8661 1.21043 -2.73086 57.4648 -5.62232 -29.4956 TIMING: 3734800 CPU: 11807, 0.00318129/step Wall: 11807, 0.00318129/step, 1.11805 hours remaining, 238.613281 MB of memory in use. ENERGY: 3734800 3994.5742 20430.8372 14459.9253 254.0431 -203433.4684 2735.6931 0.0000 0.0000 52029.4707 -109528.9248 299.0141 -161558.3956 -109168.3120 298.9762 41.5615 59.0114 761593.7920 -19.0525 -19.1640 PRESSURE: 3735000 4.9696 31.6922 5.70327 31.6921 393.673 -15.1007 5.7033 -15.1004 -380.637 GPRESSURE: 3735000 -37.1391 134.195 -26.092 -35.2736 441.875 -100.906 17.4789 31.6011 -289.358 PRESSAVG: 3735000 -6.39014 -42.1316 -12.9392 -42.1316 17.4063 19.9482 -12.9393 19.9482 18.3417 GPRESSAVG: 3735000 -6.14895 -42.4208 -15.8679 -41.6025 16.2287 18.4656 -12.8636 20.7195 19.2589 TIMING: 3735000 CPU: 11807.6, 0.00316652/step Wall: 11807.6, 0.00316652/step, 1.11268 hours remaining, 238.613281 MB of memory in use. ENERGY: 3735000 3922.8251 20626.1043 14482.0816 230.5287 -203350.4565 2643.5332 0.0000 0.0000 51948.1047 -109497.2789 298.5465 -161445.3837 -109136.0363 298.9627 6.0020 38.4593 761219.8428 9.7859 9.7795 PRESSURE: 3735200 326.367 36.8127 158.474 36.8125 -72.4785 -4.53784 158.473 -4.53753 112.208 GPRESSURE: 3735200 313.088 78.1895 150.911 -108.026 29.9954 6.4934 161.031 37.4896 111.986 PRESSAVG: 3735200 45.6815 -40.2862 25.5317 -40.2862 -50.7398 56.0755 25.5318 56.0755 1.09404 GPRESSAVG: 3735200 44.9118 -41.1069 25.4989 -41.2223 -49.313 57.5463 24.1851 55.9234 1.04106 TIMING: 3735200 CPU: 11808.2, 0.00317722/step Wall: 11808.2, 0.00317722/step, 1.11626 hours remaining, 238.613281 MB of memory in use. ENERGY: 3735200 3937.3816 20461.7412 14466.7294 249.2791 -203037.6110 2548.8758 0.0000 0.0000 51924.5149 -109449.0890 298.4109 -161373.6039 -109099.0300 298.7878 122.0323 151.6898 762764.5647 -1.3214 -1.1201 PRESSURE: 3735400 44.3446 -121.671 -47.4037 -121.672 83.7452 -262.02 -47.4027 -262.021 591.778 GPRESSURE: 3735400 66.2151 -177.558 -17.3863 -49.9305 165.392 -273.221 -27.1837 -155.754 562.466 PRESSAVG: 3735400 -4.13642 -26.5064 -37.0429 -26.5065 -6.61257 -42.5855 -37.0428 -42.5855 -18.1768 GPRESSAVG: 3735400 -3.3907 -24.1637 -36.5012 -28.2852 -6.77211 -44.9291 -33.5535 -42.2577 -18.6724 TIMING: 3735400 CPU: 11808.9, 0.00322163/step Wall: 11808.9, 0.00322163/step, 1.13169 hours remaining, 238.613281 MB of memory in use. ENERGY: 3735400 3965.2927 20471.5519 14548.3961 230.4263 -203486.7347 2811.3801 0.0000 0.0000 52180.3879 -109279.2998 299.8814 -161459.6877 -108920.3148 299.1565 239.9561 264.6911 763224.1395 -9.6419 -9.6117 PRESSURE: 3735600 -54.605 64.0666 -129.103 64.0665 -81.602 71.6602 -129.103 71.6614 -333.655 GPRESSURE: 3735600 -45.9365 -2.53028 -143.377 48.183 15.4504 47.9263 -155.389 123.053 -333.203 PRESSAVG: 3735600 -7.77766 -44.1399 -40.1677 -44.1398 57.9251 20.5957 -40.1677 20.5958 -14.697 GPRESSAVG: 3735600 -7.06253 -47.81 -38.202 -40.7385 57.4481 20.552 -42.2144 21.2352 -14.1636 TIMING: 3735600 CPU: 11809.5, 0.00323244/step Wall: 11809.5, 0.00323244/step, 1.13531 hours remaining, 238.613281 MB of memory in use. ENERGY: 3735600 4010.3480 20525.0108 14355.5776 256.1296 -202740.5885 2428.4762 0.0000 0.0000 51908.2112 -109256.8352 298.3172 -161165.0464 -108899.3359 299.6100 -156.6206 -121.2299 762080.0224 11.8168 12.0740 PRESSURE: 3735800 -377.848 -166.009 -208.792 -166.009 -524 10.8125 -208.793 10.8128 -50.009 GPRESSURE: 3735800 -325.632 -123.245 -265.277 -168.592 -466.054 36.4605 -113.982 188.144 -72.0339 PRESSAVG: 3735800 4.56857 -22.8652 16.0525 -22.8652 40.1028 5.05289 16.0523 5.05288 -11.655 GPRESSAVG: 3735800 4.42785 -19.9852 14.8386 -23.0776 40.1395 6.78106 16.0504 5.55192 -11.7338 TIMING: 3735800 CPU: 11810.2, 0.00320051/step Wall: 11810.2, 0.00320051/step, 1.12391 hours remaining, 238.613281 MB of memory in use. ENERGY: 3735800 4048.2116 20637.5407 14356.5664 246.2126 -203176.0542 2518.8020 0.0000 0.0000 52041.4191 -109327.3019 299.0828 -161368.7210 -108975.3590 299.8255 -317.2857 -287.9066 763081.0393 11.0054 10.9445 PRESSURE: 3736000 32.2155 64.1563 -12.5201 64.1555 5.22485 108.965 -12.5201 108.965 43.5316 GPRESSURE: 3736000 64.1898 -10.7341 -23.6526 135.311 -2.85314 93.8182 32.6893 99.0163 86.2283 PRESSAVG: 3736000 24.602 -94.4209 21.9945 -94.4209 -14.0333 45.6935 21.9944 45.6935 5.70544 GPRESSAVG: 3736000 23.5722 -97.48 20.5873 -94.4893 -13.2419 46.9857 21.9745 43.8293 5.7797 TIMING: 3736000 CPU: 11810.8, 0.00317757/step Wall: 11810.8, 0.00317757/step, 1.11568 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3736000 3985.2608 20675.7052 14462.3324 252.7050 -203424.8907 2673.3332 0.0000 0.0000 52069.1757 -109306.3785 299.2423 -161375.5542 -108945.9772 299.6387 26.9906 49.1883 762577.7851 5.4247 5.3700 PRESSURE: 3736200 207.632 -285.173 32.5146 -285.173 336.406 -0.306233 32.515 -0.306206 38.4828 GPRESSURE: 3736200 170.395 -220.769 107.72 -193.537 387.774 57.0403 -48.568 -8.4195 94.2856 PRESSAVG: 3736200 -4.0172 -3.91875 -39.6219 -3.91872 22.2492 -36.1297 -39.6218 -36.1297 20.2044 GPRESSAVG: 3736200 -3.61213 -1.27941 -37.72 -4.50232 22.7435 -37.4523 -40.2595 -34.5947 18.8231 TIMING: 3736200 CPU: 11811.4, 0.00315466/step Wall: 11811.4, 0.00315466/step, 1.10746 hours remaining, 238.613281 MB of memory in use. ENERGY: 3736200 3951.4554 20603.7042 14439.8596 248.2825 -203753.0699 2814.6777 0.0000 0.0000 52217.0719 -109478.0187 300.0922 -161695.0905 -109113.9085 299.3199 194.1736 217.4849 761711.5017 12.8121 12.6515 LDB: ============= START OF LOAD BALANCING ============== 11823.8 LDB: ============== END OF LOAD BALANCING =============== 11823.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11823.8 LDB: ============= START OF LOAD BALANCING ============== 11824.1 LDB: Largest compute 7068 load 0.032227 is 16.4% of average load 0.196110 LDB: Average compute 0.004379 is 2.2% of average load 0.196110 LDB: TIME 11824.1 LOAD: AVG 0.19611 MAX 0.216122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.023 MB LDB: TIME 11824.1 LOAD: AVG 0.19611 MAX 0.216122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.227 MB LDB: TIME 11824.1 LOAD: AVG 0.19611 MAX 0.216122 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.227 MB LDB: ============== END OF LOAD BALANCING =============== 11824.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11824.2 PRESSURE: 3736400 -259.309 91.1261 -7.59246 91.1267 -335.251 -173.616 -7.59229 -173.617 -44.5672 GPRESSURE: 3736400 -148.162 -19.2382 -67.1069 51.882 -347.291 -185.681 -77.3036 39.165 -37.0425 PRESSAVG: 3736400 -7.00775 -29.9222 -29.9135 -29.9222 23.9473 18.8819 -29.9135 18.882 -7.23552 GPRESSAVG: 3736400 -7.63646 -32.4438 -32.1845 -28.3249 23.31 18.2024 -29.1161 19.3841 -5.23659 TIMING: 3736400 CPU: 11812.1, 0.00325298/step Wall: 11812.1, 0.00325298/step, 1.1418 hours remaining, 238.101562 MB of memory in use. ENERGY: 3736400 4013.5017 20466.1951 14402.9777 240.9359 -203162.1692 2533.3758 0.0000 0.0000 51952.9034 -109552.2797 298.5740 -161505.1831 -109197.0322 299.6629 -213.0423 -177.4987 762576.0199 3.2347 3.4790 PRESSURE: 3736600 66.5951 -224.963 -42.1745 -224.964 37.4601 -111.545 -42.1745 -111.546 253.484 GPRESSURE: 3736600 103.609 -118.983 48.6524 -187.614 96.6162 -105.224 -55.7515 -92.1715 232.593 PRESSAVG: 3736600 21.2771 -18.2581 -57.1554 -18.2581 8.34524 14.125 -57.1554 14.1249 -6.85446 GPRESSAVG: 3736600 21.9376 -13.7933 -53.8737 -20.4648 9.08077 14.2216 -57.3158 13.9767 -8.29165 TIMING: 3736600 CPU: 11812.7, 0.00312949/step Wall: 11812.7, 0.0031295/step, 1.09828 hours remaining, 238.304688 MB of memory in use. ENERGY: 3736600 4024.0857 20487.9940 14459.8115 246.7185 -203444.7920 2696.6141 0.0000 0.0000 52157.1704 -109372.3978 299.7480 -161529.5682 -109005.4569 299.6390 119.1797 144.2728 761590.0836 7.5893 7.5756 PRESSURE: 3736800 -316.32 21.8828 -104.241 21.8822 -180.86 -113.865 -104.24 -113.865 25.095 GPRESSURE: 3736800 -299.057 20.0305 35.6186 14.8851 -223.52 -179.029 -153.007 -80.4269 132.965 PRESSAVG: 3736800 -24.8823 -49.8212 -12.5738 -49.8213 35.0034 -20.3171 -12.5738 -20.3171 6.70395 GPRESSAVG: 3736800 -23.563 -52.3664 -14.0811 -48.0525 33.315 -19.2921 -11.202 -21.4503 7.3485 TIMING: 3736800 CPU: 11813.3, 0.00314335/step Wall: 11813.3, 0.00314335/step, 1.10297 hours remaining, 238.304688 MB of memory in use. ENERGY: 3736800 4029.0850 20813.1154 14369.7145 263.1399 -203355.6643 2448.2855 0.0000 0.0000 52018.6213 -109413.7027 298.9517 -161432.3240 -109057.3051 299.9756 -157.3617 -129.8708 762009.4453 5.6083 5.7002 PRESSURE: 3737000 -29.3654 -89.2296 33.8372 -89.2297 -223.974 86.3377 33.8372 86.3376 -149.275 GPRESSURE: 3737000 -30.0541 -190.209 -4.66437 -48.9362 -197.774 78.4757 -7.28474 161.504 -98.7481 PRESSAVG: 3737000 -10.5149 -22.5131 48.2951 -22.5131 16.02 -15.4457 48.2951 -15.4458 -25.4201 GPRESSAVG: 3737000 -11.143 -20.7962 47.2183 -23.5341 16.3504 -15.5545 46.5629 -14.0186 -25.6162 TIMING: 3737000 CPU: 11814, 0.00318827/step Wall: 11814, 0.00318827/step, 1.11855 hours remaining, 238.304688 MB of memory in use. ENERGY: 3737000 4032.2566 20467.6026 14400.1877 253.6026 -203286.5430 2646.5101 0.0000 0.0000 52221.3899 -109264.9935 300.1170 -161486.3834 -108896.6237 299.5661 -134.2050 -108.8589 762330.3347 -6.6384 -6.8030 PRESSURE: 3737200 -650.658 47.2859 144.187 47.2864 -163.926 -197.35 144.187 -197.349 -149.602 GPRESSURE: 3737200 -600.182 50.2834 171.655 12.0406 -107.122 -173.013 153.106 -231.527 -161.514 PRESSAVG: 3737200 -38.7085 -38.6942 1.38107 -38.6941 29.843 40.7961 1.38106 40.7962 17.633 GPRESSAVG: 3737200 -39.1411 -41.3486 1.46241 -40.4732 30.7175 39.9077 -0.482464 39.8556 17.4564 TIMING: 3737200 CPU: 11814.6, 0.00317962/step Wall: 11814.6, 0.00317962/step, 1.11534 hours remaining, 238.304688 MB of memory in use. ENERGY: 3737200 4067.8806 20429.5149 14419.9474 236.2642 -203159.3372 2538.0195 0.0000 0.0000 52246.2440 -109221.4666 300.2599 -161467.7106 -108850.1105 300.2384 -321.3952 -289.6060 761652.1141 2.9225 3.0109 PRESSURE: 3737400 -53.1152 17.7146 -168.501 17.7152 7.44695 -186.652 -168.501 -186.651 -130.33 GPRESSURE: 3737400 23.7011 58.4152 -131.54 -102.412 -58.5583 -309.228 -34.9898 -107.149 -42.8506 PRESSAVG: 3737400 -50.1762 -14.7616 0.335649 -14.7616 41.2829 -12.0871 0.335604 -12.087 15.8183 GPRESSAVG: 3737400 -50.1049 -13.9448 0.0213307 -15.4649 39.2688 -10.3228 0.0252374 -13.4138 17.6139 TIMING: 3737400 CPU: 11815.2, 0.0031367/step Wall: 11815.2, 0.0031367/step, 1.10011 hours remaining, 238.304688 MB of memory in use. ENERGY: 3737400 3954.9742 20667.4586 14401.2567 226.9063 -203614.1832 2876.0648 0.0000 0.0000 52228.2526 -109259.2699 300.1565 -161487.5225 -108891.9363 300.0566 -58.6660 -25.9026 760631.0913 2.3083 2.2593 PRESSURE: 3737600 -220.364 57.8504 45.0685 57.8499 -158.74 101.76 45.0693 101.76 -186.936 GPRESSURE: 3737600 -167.007 39.4831 38.4433 152.828 -117.657 114.002 159.178 -32.9735 -217.198 PRESSAVG: 3737600 19.62 -43.5232 12.9715 -43.5232 -26.5155 -5.46145 12.9714 -5.46147 1.06613 GPRESSAVG: 3737600 20.095 -43.6209 12.3033 -42.4664 -25.2458 -4.76973 15.9732 -5.27137 -0.907741 TIMING: 3737600 CPU: 11815.9, 0.00316008/step Wall: 11815.9, 0.00316008/step, 1.10814 hours remaining, 238.304688 MB of memory in use. ENERGY: 3737600 4020.3483 20627.6826 14431.1902 242.7862 -203146.5669 2358.1835 0.0000 0.0000 52309.7990 -109156.5772 300.6251 -161466.3762 -108791.5280 299.8846 -188.6804 -167.2872 760961.1235 -1.9431 -2.0195 PRESSURE: 3737800 166.288 79.0733 316.862 79.074 -203.831 21.8894 316.862 21.89 441.518 GPRESSURE: 3737800 200.879 105.807 172.851 109.4 -188.895 9.73079 207.824 87.1692 483.357 PRESSAVG: 3737800 -33.9828 -9.46208 -15.7297 -9.46205 29.7962 13.8147 -15.7298 13.8147 4.94433 GPRESSAVG: 3737800 -35.4191 -8.87124 -15.5175 -8.9181 30.556 12.0227 -18.0574 15.1667 5.5795 TIMING: 3737800 CPU: 11816.5, 0.00317927/step Wall: 11816.5, 0.00317927/step, 1.11469 hours remaining, 238.304688 MB of memory in use. ENERGY: 3737800 4015.9314 20632.4863 14399.1295 236.1297 -203536.2525 2742.8965 0.0000 0.0000 52277.7246 -109231.9546 300.4408 -161509.6792 -108863.0158 299.9806 134.6582 165.1137 761888.2386 0.2526 0.2388 PRESSURE: 3738000 -386.251 55.8124 -107.437 55.8128 -237.219 284.873 -107.437 284.873 -379.57 GPRESSURE: 3738000 -337.79 61.8248 -3.90032 50.4552 -240.879 304.577 -77.2658 313.722 -354.368 PRESSAVG: 3738000 39.622 -47.8334 -47.6917 -47.8334 7.54138 3.41504 -47.6917 3.415 17.1654 GPRESSAVG: 3738000 40.3201 -46.5308 -49.3388 -48.1336 7.25562 4.47828 -47.4235 3.00138 16.5266 TIMING: 3738000 CPU: 11817.1, 0.00317475/step Wall: 11817.1, 0.00317475/step, 1.11293 hours remaining, 238.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3738000 4036.1021 20799.9370 14468.4728 238.3147 -203284.1105 2342.9176 0.0000 0.0000 52114.7053 -109283.6610 299.5039 -161398.3663 -108927.7753 300.5448 -334.3463 -311.0124 762727.0182 21.4430 21.3674 PRESSURE: 3738200 178.345 290.15 93.141 290.151 -148.388 199.704 93.1399 199.705 -103.897 GPRESSURE: 3738200 196.696 206.78 31.2956 168.17 -37.0107 271.009 189.651 198.13 -151.149 PRESSAVG: 3738200 -8.69746 -42.9107 -17.4222 -42.9108 21.9768 33.5295 -17.4222 33.5294 -2.53097 GPRESSAVG: 3738200 -8.26903 -45.5915 -15.7753 -41.8253 21.2446 34.7827 -15.8883 33.3923 -2.12586 TIMING: 3738200 CPU: 11817.8, 0.0031483/step Wall: 11817.8, 0.0031483/step, 1.10348 hours remaining, 238.304688 MB of memory in use. ENERGY: 3738200 4042.8002 20332.8979 14467.2583 261.0134 -203291.9746 2539.4969 0.0000 0.0000 52228.5651 -109419.9428 300.1583 -161648.5079 -109057.7655 299.8104 -24.6467 2.8454 761341.0375 3.5828 3.6166 PRESSURE: 3738400 -353.662 -130.046 -88.892 -130.047 7.60602 66.2206 -88.8918 66.2203 -232.155 GPRESSURE: 3738400 -323.344 -55.3528 -111.668 -28.351 69.851 -61.7165 -87.8432 47.5331 -231.358 PRESSAVG: 3738400 -36.631 -40.4996 -11.4536 -40.4996 54.7391 21.9365 -11.4536 21.9364 3.37437 GPRESSAVG: 3738400 -35.5135 -40.2983 -10.8956 -40.1432 54.3917 21.0649 -11.1077 23.7761 2.27687 TIMING: 3738400 CPU: 11818.4, 0.00314392/step Wall: 11818.4, 0.00314392/step, 1.10177 hours remaining, 238.304688 MB of memory in use. ENERGY: 3738400 3981.3363 20437.3718 14438.4087 227.2608 -203403.0066 2511.7838 0.0000 0.0000 52085.4013 -109721.4439 299.3355 -161806.8452 -109354.0998 298.6264 -192.7369 -161.6172 761277.3718 7.1608 7.0517 PRESSURE: 3738600 -189.365 57.704 426.219 57.7048 -340.489 -22.5938 426.218 -22.5941 256.733 GPRESSURE: 3738600 -193.461 92.5712 310.194 -16.7528 -254.512 4.27563 328.401 -333.219 259.594 PRESSAVG: 3738600 -18.4644 -42.7351 64.4309 -42.735 -9.54641 -6.50017 64.4309 -6.50011 -18.3641 GPRESSAVG: 3738600 -18.4678 -40.838 62.3603 -43.1893 -9.37407 -7.19081 62.2021 -9.49144 -17.8052 TIMING: 3738600 CPU: 11819, 0.00316792/step Wall: 11819, 0.00316792/step, 1.11 hours remaining, 238.304688 MB of memory in use. ENERGY: 3738600 4030.1004 20432.3575 14428.1897 247.5541 -203071.3505 2535.4524 0.0000 0.0000 51941.5738 -109456.1226 298.5089 -161397.6964 -109088.9587 298.7096 -91.0402 -62.7928 763679.8231 -15.4583 -15.2157 PRESSURE: 3738800 -177.636 19.4945 -42.5592 19.4938 66.7203 121.78 -42.5596 121.78 -258.821 GPRESSURE: 3738800 -192.19 157.409 -27.2104 40.4907 67.7011 148.639 69.7157 242.745 -165.158 PRESSAVG: 3738800 -0.878317 -18.2635 10.5316 -18.2635 -18.8527 12.8715 10.5316 12.8715 -0.565454 GPRESSAVG: 3738800 -0.576859 -19.5843 12.9051 -18.4834 -18.7337 11.7967 11.8359 13.9277 -0.565227 TIMING: 3738800 CPU: 11819.6, 0.00314507/step Wall: 11819.6, 0.00314507/step, 1.10182 hours remaining, 238.304688 MB of memory in use. ENERGY: 3738800 4007.5900 20665.5411 14465.4348 239.9107 -203441.9485 2537.4180 0.0000 0.0000 52013.3469 -109512.7072 298.9214 -161526.0540 -109153.1583 299.2632 -123.2456 -96.5490 761998.7009 -6.7655 -6.6253 PRESSURE: 3739000 119.067 -59.0804 473.185 -59.0801 27.7631 -71.7083 473.184 -71.7082 -77.7411 GPRESSURE: 3739000 122.154 -53.1319 391.366 -114.519 48.582 -79.2951 336.794 -143.904 -14.6314 PRESSAVG: 3739000 18.3581 -28.0167 0.362377 -28.0167 17.0213 29.0946 0.362301 29.0946 29.3053 GPRESSAVG: 3739000 17.5632 -28.6654 -0.122758 -28.0556 17.2827 31.3218 0.123575 30.5695 29.8582 TIMING: 3739000 CPU: 11820.3, 0.00316637/step Wall: 11820.3, 0.00316637/step, 1.10911 hours remaining, 238.304688 MB of memory in use. ENERGY: 3739000 4048.9096 20667.9388 14404.5562 247.5436 -203747.4843 2602.7507 0.0000 0.0000 52140.5605 -109635.2250 299.6525 -161775.7855 -109273.9517 300.0807 23.0298 52.0349 759679.1838 21.5616 21.5680 PRESSURE: 3739200 42.6919 -154.165 -36.1124 -154.165 -297.124 -52.0674 -36.1112 -52.0661 22.035 GPRESSURE: 3739200 42.859 -92.2562 25.1915 -91.7634 -255.2 -32.1569 -74.0677 21.5881 56.9638 PRESSAVG: 3739200 23.2847 -58.102 57.7969 -58.102 -14.5496 28.497 57.7968 28.497 32.9065 GPRESSAVG: 3739200 23.5361 -57.2824 57.9733 -58.8058 -14.4964 28.4265 56.6383 27.8418 32.1922 TIMING: 3739200 CPU: 11820.9, 0.00315443/step Wall: 11820.9, 0.00315443/step, 1.10475 hours remaining, 238.304688 MB of memory in use. ENERGY: 3739200 4025.6144 20631.7183 14495.0213 253.3632 -203903.7572 2717.5986 0.0000 0.0000 51925.8674 -109854.5740 298.4187 -161780.4414 -109500.3784 298.9845 -77.4657 -51.7925 760338.6522 13.8805 13.7440 PRESSURE: 3739400 -246.038 -136.897 194.406 -136.898 -36.3981 -184.06 194.406 -184.06 -153.29 GPRESSURE: 3739400 -150.025 -90.3406 117.268 -151.144 66.9855 -200.72 208.123 -111.28 -253.833 PRESSAVG: 3739400 36.544 -41.5312 -15.1094 -41.5312 -0.71657 0.682416 -15.1094 0.682414 5.46629 GPRESSAVG: 3739400 36.2975 -41.0749 -15.137 -41.1752 -0.451194 -0.438181 -15.5681 -0.0579196 5.9304 TIMING: 3739400 CPU: 11821.5, 0.00316353/step Wall: 11821.5, 0.00316353/step, 1.10776 hours remaining, 238.304688 MB of memory in use. ENERGY: 3739400 4026.6976 20618.6699 14467.4020 235.5525 -203710.3993 2559.3534 0.0000 0.0000 52076.2269 -109726.4969 299.2828 -161802.7239 -109367.1459 299.1988 -145.2421 -112.2908 761762.7194 13.7646 13.9256 PRESSURE: 3739600 144.019 29.9198 272.01 29.9201 185.52 93.2244 272.01 93.2249 101.614 GPRESSURE: 3739600 177.525 -38.8531 212.807 -7.77244 165.793 47.7286 421.069 -66.5699 185.253 PRESSAVG: 3739600 61.4913 7.76782 6.36589 7.76774 -23.6713 -9.20434 6.36594 -9.20436 13.8378 GPRESSAVG: 3739600 62.1117 8.45154 6.02853 7.26968 -25.1996 -9.10203 8.4773 -8.53757 15.0431 TIMING: 3739600 CPU: 11822.2, 0.00318736/step Wall: 11822.2, 0.00318736/step, 1.11593 hours remaining, 238.304688 MB of memory in use. ENERGY: 3739600 4032.0121 20496.4182 14433.9849 258.1644 -203562.8003 2564.9911 0.0000 0.0000 52078.7753 -109698.4543 299.2974 -161777.2296 -109321.6435 299.3141 143.7178 176.1903 760732.1738 17.2193 17.3184 PRESSURE: 3739800 -216.775 -32.5979 137.298 -32.5975 261.617 162.433 137.298 162.434 -221.914 GPRESSURE: 3739800 -119.85 52.3194 122.996 -45.8032 266.336 171.2 32.8281 168.557 -234.743 PRESSAVG: 3739800 33.3302 4.0703 -0.454308 4.07035 24.5261 -6.07846 -0.454321 -6.07848 -24.1373 GPRESSAVG: 3739800 33.1653 3.98389 2.23592 5.20734 26.0426 -5.52073 -1.49056 -6.54654 -25.6 TIMING: 3739800 CPU: 11822.8, 0.0031752/step Wall: 11822.8, 0.0031752/step, 1.1115 hours remaining, 238.304688 MB of memory in use. ENERGY: 3739800 3967.6762 20709.9509 14488.5053 254.3780 -203941.3842 2748.1407 0.0000 0.0000 52133.3253 -109639.4077 299.6109 -161772.7330 -109271.7678 298.9098 -59.0242 -29.4193 760071.8882 11.2397 11.2026 PRESSURE: 3740000 161.996 36.5887 -37.8607 36.5889 31.9591 -120.24 -37.8602 -120.239 39.0874 GPRESSURE: 3740000 238.968 38.4064 -12.7184 132.972 5.913 -169.042 -21.0131 -139.533 70.7258 PRESSAVG: 3740000 -16.502 12.2039 -15.7852 12.2039 -22.2236 27.5942 -15.7852 27.5942 22.2791 GPRESSAVG: 3740000 -17.2248 9.3036 -18.8095 15.2532 -22.0054 26.6443 -15.1701 28.6063 22.8552 TIMING: 3740000 CPU: 11823.5, 0.00318603/step Wall: 11823.5, 0.00318603/step, 1.11511 hours remaining, 238.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3740000 3929.2475 20694.1186 14481.4819 250.5945 -203180.8462 2432.8243 0.0000 0.0000 51752.6878 -109639.8915 297.4234 -161392.5794 -109289.1001 299.1131 77.6808 105.2021 761028.6358 -5.4822 -5.4583 PRESSURE: 3740200 -79.4584 176.325 -378.41 176.325 -182.962 239.877 -378.408 239.877 -460.04 GPRESSURE: 3740200 -126.388 125.63 -314.916 101.863 -100.739 223.845 -356.032 165.643 -422.647 PRESSAVG: 3740200 39.8722 33.9472 -48.1831 33.9471 -59.6103 -9.40341 -48.1832 -9.40343 -3.42526 GPRESSAVG: 3740200 40.2156 35.6494 -46.3584 30.3013 -59.2883 -8.01778 -48.2858 -10.1189 -4.0101 TIMING: 3740200 CPU: 11824.1, 0.00318082/step Wall: 11824.1, 0.00318082/step, 1.11311 hours remaining, 238.304688 MB of memory in use. ENERGY: 3740200 4014.6458 20549.9850 14462.4374 229.9675 -203345.8092 2529.1384 0.0000 0.0000 51862.2708 -109697.3644 298.0532 -161559.6351 -109350.9977 298.9999 -240.8201 -216.5914 760659.7086 -7.7211 -7.6943 LDB: ============= START OF LOAD BALANCING ============== 11836.5 LDB: ============== END OF LOAD BALANCING =============== 11836.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11836.5 LDB: ============= START OF LOAD BALANCING ============== 11836.8 LDB: Largest compute 7068 load 0.032018 is 16.3% of average load 0.196021 LDB: Average compute 0.004395 is 2.2% of average load 0.196021 LDB: TIME 11836.8 LOAD: AVG 0.196021 MAX 0.213904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 11836.8 LOAD: AVG 0.196021 MAX 0.213904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 11836.8 LOAD: AVG 0.196021 MAX 0.213904 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 11836.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11836.8 PRESSURE: 3740400 39.9376 24.5846 138.546 24.5849 -310.828 80.48 138.546 80.4814 -345.691 GPRESSURE: 3740400 -1.2626 -0.887238 90.9137 -84.5443 -185.456 62.037 155.259 -27.9411 -335.722 PRESSAVG: 3740400 121.408 17.9436 12.3782 17.9436 -94.9962 37.6206 12.3782 37.6207 -9.26872 GPRESSAVG: 3740400 120.361 16.6467 11.1365 18.182 -94.2304 36.7499 11.9586 38.717 -8.95534 TIMING: 3740400 CPU: 11824.7, 0.00325096/step Wall: 11824.7, 0.00325096/step, 1.13747 hours remaining, 238.355469 MB of memory in use. ENERGY: 3740400 4037.0911 20334.9259 14549.7194 235.3548 -203235.2483 2315.4613 0.0000 0.0000 52056.0693 -109706.6265 299.1669 -161762.6958 -109340.7907 298.6712 -205.5271 -174.1470 761303.9254 5.7145 5.7250 PRESSURE: 3740600 -503.037 -73.0318 -65.6142 -73.0312 -362.552 129.713 -65.6142 129.712 89.3048 GPRESSURE: 3740600 -380.6 -91.4049 -31.7222 -119.523 -369.753 16.6194 -209.617 202.017 72.8264 PRESSAVG: 3740600 66.252 -13.4609 -33.7648 -13.4609 -65.6157 -15.4182 -33.7647 -15.4181 -14.6363 GPRESSAVG: 3740600 67.5418 -10.1169 -30.7727 -12.4087 -66.816 -16.1756 -34.9008 -16.8612 -14.3557 TIMING: 3740600 CPU: 11825.4, 0.00317575/step Wall: 11825.4, 0.00317575/step, 1.11098 hours remaining, 238.355469 MB of memory in use. ENERGY: 3740600 4034.4015 20281.7669 14435.2794 249.1274 -203135.1607 2336.5088 0.0000 0.0000 52035.1925 -109762.8842 299.0470 -161798.0767 -109397.9553 298.5640 -258.7613 -225.8423 762072.4712 -4.6667 -4.5433 PRESSURE: 3740800 32.3027 106.294 -34.2815 106.294 384.203 222.563 -34.2815 222.563 95.1082 GPRESSURE: 3740800 121.456 125.194 19.1242 168.278 385.355 277.818 31.5344 145.421 89.1697 PRESSAVG: 3740800 -14.7899 32.9059 6.20102 32.9059 -84.3702 5.56505 6.20094 5.56501 11.2459 GPRESSAVG: 3740800 -13.6587 30.1739 3.78554 32.9501 -84.7899 4.89413 6.8759 5.44143 10.2738 TIMING: 3740800 CPU: 11826, 0.00316019/step Wall: 11826, 0.00316019/step, 1.10536 hours remaining, 238.355469 MB of memory in use. ENERGY: 3740800 3979.6138 20422.3459 14552.1168 250.8321 -203357.0606 2628.7441 0.0000 0.0000 51681.6606 -109841.7474 297.0152 -161523.4080 -109488.0005 297.9591 170.5378 198.6603 761255.8213 -29.3047 -29.3916 PRESSURE: 3741000 -547.536 185.505 282.927 185.506 -132.433 -140.649 282.927 -140.65 471.341 GPRESSURE: 3741000 -418.778 140.47 282.312 149.392 -170.697 -129.647 278.677 -104.009 453.851 PRESSAVG: 3741000 35.1813 -28.4332 57.7008 -28.4332 -55.3863 31.8474 57.7008 31.8474 -9.67901 GPRESSAVG: 3741000 33.0686 -26.8531 58.6577 -28.7047 -54.9394 33.4642 58.9954 30.689 -8.13388 TIMING: 3741000 CPU: 11826.6, 0.00315343/step Wall: 11826.6, 0.00315343/step, 1.10282 hours remaining, 238.355469 MB of memory in use. ENERGY: 3741000 3972.8496 20408.1941 14534.7816 246.2078 -203426.5295 2524.2188 0.0000 0.0000 51981.8735 -109758.4041 298.7405 -161740.2776 -109392.3056 298.1445 -69.5424 -45.2077 762638.8208 -9.9613 -10.0015 PRESSURE: 3741200 161.84 6.33876 -119.778 6.33911 -369.488 -250.635 -119.778 -250.636 40.6638 GPRESSURE: 3741200 161.244 3.36064 -209.471 -152.737 -330.191 -246.313 -251.904 -5.05341 76.5075 PRESSAVG: 3741200 53.0423 20.131 22.2742 20.1311 -56.628 -6.5967 22.2742 -6.59662 15.3407 GPRESSAVG: 3741200 53.2698 18.9777 22.4065 19.2422 -57.2041 -5.58111 20.5007 -5.71698 15.0611 TIMING: 3741200 CPU: 11827.3, 0.00315184/step Wall: 11827.3, 0.00315184/step, 1.10209 hours remaining, 238.355469 MB of memory in use. ENERGY: 3741200 3904.2440 20389.7667 14528.0932 239.7235 -202765.2973 2320.1892 0.0000 0.0000 51815.8050 -109567.4757 297.7861 -161383.2807 -109199.8035 298.1332 -55.6614 -30.8131 764003.9897 3.9183 3.7089 PRESSURE: 3741400 134.665 332.356 47.6758 332.355 216.143 -9.38314 47.6768 -9.38393 -157.489 GPRESSURE: 3741400 154.277 210.44 120.267 315.253 251.014 -53.0821 122.031 18.8966 -103.571 PRESSAVG: 3741400 53.2374 -6.37853 -10.9345 -6.37855 -42.7379 -15.1601 -10.9345 -15.16 20.5976 GPRESSAVG: 3741400 53.1391 -5.69772 -10.1752 -3.90069 -41.5949 -16.965 -10.4888 -16.2381 19.6908 TIMING: 3741400 CPU: 11827.9, 0.0031564/step Wall: 11827.9, 0.0031564/step, 1.10351 hours remaining, 238.355469 MB of memory in use. ENERGY: 3741400 4026.3530 20334.5163 14566.3847 243.4917 -203822.8725 2950.7798 0.0000 0.0000 51991.7114 -109709.6357 298.7971 -161701.3471 -109358.9635 298.2985 64.4393 100.5734 762347.3462 10.3657 10.4117 PRESSURE: 3741600 280.172 4.89255 203.809 4.89297 6.84587 -0.471356 203.809 -0.470659 62.4256 GPRESSURE: 3741600 257.339 3.42387 166.303 94.7384 74.6574 -30.9567 225.658 31.1445 74.1979 PRESSAVG: 3741600 -8.12662 -6.55518 -53.0991 -6.55508 -56.0478 20.4542 -53.0991 20.4542 -14.1679 GPRESSAVG: 3741600 -7.72194 -6.01906 -53.7024 -7.11744 -57.5366 21.6371 -54.7502 19.2481 -13.4204 TIMING: 3741600 CPU: 11828.5, 0.00313827/step Wall: 11828.5, 0.00313827/step, 1.097 hours remaining, 238.355469 MB of memory in use. ENERGY: 3741600 3917.4170 20476.6912 14427.7623 231.0337 -203563.1831 2844.3700 0.0000 0.0000 51868.2445 -109797.6643 298.0875 -161665.9089 -109446.7752 298.3293 116.4811 135.3981 763055.3767 -26.1141 -26.2263 PRESSURE: 3741800 62.9107 241.705 -90.7595 241.705 40.3678 -52.0854 -90.7591 -52.085 -205.054 GPRESSURE: 3741800 144.944 203.66 -34.7988 195.876 97.9017 -55.0787 -122.368 -34.3929 -260.216 PRESSAVG: 3741800 -50.968 45.5984 5.75546 45.5984 61.7294 11.185 5.75552 11.185 -15.1096 GPRESSAVG: 3741800 -51.0207 44.1047 5.31075 45.8339 62.2059 11.5373 6.92523 13.0672 -15.133 TIMING: 3741800 CPU: 11829.2, 0.0031176/step Wall: 11829.2, 0.0031176/step, 1.0896 hours remaining, 238.355469 MB of memory in use. ENERGY: 3741800 3840.6288 20511.3825 14490.4593 247.9027 -203351.9688 2721.7520 0.0000 0.0000 51954.1626 -109585.6808 298.5813 -161539.8434 -109230.5074 298.0205 -33.9250 -5.7900 763592.5517 -1.4494 -1.3159 PRESSURE: 3742000 101.822 -52.017 -56.6485 -52.0157 -1.99264 162.677 -56.6487 162.679 81.0118 GPRESSURE: 3742000 88.4662 -156.895 -1.39735 -165.582 111.728 140.086 -73.4687 77.9356 60.7696 PRESSAVG: 3742000 60.9948 -28.2406 13.4483 -28.2406 -69.8657 -1.64223 13.4482 -1.64222 0.788978 GPRESSAVG: 3742000 61.8963 -27.6781 14.3395 -28.5601 -69.9247 -2.12172 12.1301 -3.04655 -0.152785 TIMING: 3742000 CPU: 11829.8, 0.00313151/step Wall: 11829.8, 0.00313151/step, 1.09429 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3742000 3984.2123 20470.9284 14451.4126 254.4845 -203601.7211 2868.1847 0.0000 0.0000 52036.3526 -109536.1461 299.0536 -161572.4986 -109170.1946 298.5292 60.2803 86.9878 762143.0874 -2.6940 -2.7270 PRESSURE: 3742200 70.5512 -4.76642 88.3663 -4.76574 193.275 102.364 88.3662 102.364 47.1677 GPRESSURE: 3742200 150.459 103.801 55.6986 8.22198 228.719 127.565 -48.3461 43.1245 -5.95916 PRESSAVG: 3742200 -3.76874 14.694 8.07694 14.694 8.17274 -14.3163 8.07701 -14.3163 10.8503 GPRESSAVG: 3742200 -3.42073 14.4164 6.33919 16.2147 7.34525 -14.6719 9.02289 -13.8442 10.6872 TIMING: 3742200 CPU: 11830.4, 0.00314594/step Wall: 11830.4, 0.00314594/step, 1.09916 hours remaining, 238.355469 MB of memory in use. ENERGY: 3742200 4013.0234 20561.2514 14478.4682 223.1565 -203321.2281 2673.6578 0.0000 0.0000 51772.8157 -109598.8551 297.5391 -161371.6709 -109237.0922 298.7306 103.6648 124.4060 761145.4029 5.0848 4.8706 PRESSURE: 3742400 75.0082 63.6293 123.204 63.6298 -420.417 40.9453 123.203 40.9443 144.25 GPRESSURE: 3742400 136.436 17.2622 29.4623 15.5983 -369.563 66.9866 54.9988 109.525 124.649 PRESSAVG: 3742400 42.6999 -14.8883 9.6219 -14.8884 -10.4117 39.1152 9.62195 39.1152 -11.7572 GPRESSAVG: 3742400 42.4369 -14.7192 10.331 -15.3769 -9.46846 39.4362 7.95604 39.6525 -12.582 TIMING: 3742400 CPU: 11831, 0.00316413/step Wall: 11831, 0.00316412/step, 1.10533 hours remaining, 238.355469 MB of memory in use. ENERGY: 3742400 3932.2151 20496.1180 14480.3482 245.7053 -203920.7840 3044.4465 0.0000 0.0000 52419.3511 -109302.5998 301.2547 -161721.9509 -108937.7971 299.0371 -67.0529 -36.1591 762753.0958 6.8437 6.7955 PRESSURE: 3742600 26.1139 144.636 78.8953 144.637 -348.862 -112.956 78.896 -112.956 411.672 GPRESSURE: 3742600 93.9205 199.842 32.6261 134.787 -255.273 -164.282 150.925 -112.622 331.678 PRESSAVG: 3742600 41.2914 -36.7966 35.2016 -36.7966 -120.773 60.3554 35.2017 60.3554 1.24897 GPRESSAVG: 3742600 40.2994 -36.2191 34.9856 -36.2711 -120.982 60.6379 36.7878 59.3872 2.28606 TIMING: 3742600 CPU: 11831.7, 0.0031737/step Wall: 11831.7, 0.0031737/step, 1.1085 hours remaining, 238.355469 MB of memory in use. ENERGY: 3742600 3990.5340 20520.6859 14488.6603 229.4811 -203555.0102 2796.3917 0.0000 0.0000 52095.2462 -109434.0110 299.3921 -161529.2572 -109075.9067 299.6478 29.6413 56.7752 762471.1480 -26.0774 -26.1320 PRESSURE: 3742800 -396.705 231.222 -243.615 231.223 -100.27 77.4718 -243.616 77.4723 56.9011 GPRESSURE: 3742800 -401.313 137.641 -209.145 221.008 -66.3689 107.784 -289.767 -1.20574 88.7788 PRESSAVG: 3742800 56.8065 26.6375 7.24349 26.6375 -50.3915 -52.1583 7.24351 -52.1583 9.73098 GPRESSAVG: 3742800 57.4097 27.8059 6.84487 26.0996 -50.0395 -51.4234 7.96459 -53.113 9.01365 TIMING: 3742800 CPU: 11832.3, 0.00317708/step Wall: 11832.3, 0.00317709/step, 1.10951 hours remaining, 238.355469 MB of memory in use. ENERGY: 3742800 3968.2115 20624.7381 14480.9513 228.8164 -203217.5608 2614.4740 0.0000 0.0000 51993.5569 -109306.8124 298.8077 -161300.3693 -108941.3345 299.1095 -146.6914 -126.3011 761486.9052 5.3820 5.4613 PRESSURE: 3743000 18.0397 118.315 -115.564 118.315 38.6663 38.4307 -115.565 38.431 -94.3089 GPRESSURE: 3743000 26.9074 123.358 -53.7966 41.4198 109.66 -33.6608 -126.708 31.605 -74.9246 PRESSAVG: 3743000 11.0792 -3.44348 4.64987 -3.44348 -65.8175 48.7708 4.64989 48.7708 -16.1099 GPRESSAVG: 3743000 11.3856 -5.78218 5.45035 -2.49635 -66.1424 48.8624 2.4008 51.5224 -15.4359 TIMING: 3743000 CPU: 11832.9, 0.0031479/step Wall: 11832.9, 0.0031479/step, 1.09914 hours remaining, 238.355469 MB of memory in use. ENERGY: 3743000 3987.3174 20513.2847 14396.9967 247.8099 -203074.5926 2535.6781 0.0000 0.0000 52238.0706 -109155.4351 300.2129 -161393.5057 -108791.1609 298.9963 -12.5343 20.5477 764477.5723 -23.6161 -23.3976 PRESSURE: 3743200 123.891 -216.714 -10.3905 -216.713 -273.023 -22.3461 -10.3903 -22.3484 -92.6478 GPRESSURE: 3743200 164.462 -87.9781 -36.4525 -6.26106 -240.545 16.5295 -64.2825 -55.9371 -88.538 PRESSAVG: 3743200 41.7064 -17.0242 -0.389029 -17.0241 -17.424 -33.4109 -0.38898 -33.4109 14.8155 GPRESSAVG: 3743200 40.4931 -14.2621 -1.25754 -17.6543 -16.6533 -34.7335 2.14379 -34.0354 15.7599 TIMING: 3743200 CPU: 11833.6, 0.00316151/step Wall: 11833.6, 0.00316151/step, 1.10372 hours remaining, 238.355469 MB of memory in use. ENERGY: 3743200 3988.2008 20525.0308 14465.6179 253.3315 -203131.7196 2723.4652 0.0000 0.0000 52020.3066 -109155.7669 298.9614 -161176.0735 -108785.8755 299.3887 -80.5931 -54.8738 763056.7193 13.0326 13.1999 PRESSURE: 3743400 70.1197 -234.97 85.09 -234.97 -452.46 138.872 85.0895 138.871 32.9962 GPRESSURE: 3743400 85.7365 -284.472 23.1893 -228.79 -433.66 173.463 92.6162 44.9215 79.6562 PRESSAVG: 3743400 21.0815 -12.6618 -0.18323 -12.6618 -33.2147 4.38342 -0.183231 4.38344 2.64449 GPRESSAVG: 3743400 22.6442 -12.4348 -2.29074 -12.3555 -34.155 6.04995 1.44449 5.4233 1.71873 TIMING: 3743400 CPU: 11834.2, 0.00318693/step Wall: 11834.2, 0.00318693/step, 1.11241 hours remaining, 238.355469 MB of memory in use. ENERGY: 3743400 3992.2299 20654.7241 14480.1030 231.5296 -203082.1602 2433.2704 0.0000 0.0000 52060.7802 -109229.5230 299.1940 -161290.3032 -108865.0811 299.4610 -116.4480 -89.4226 763620.6283 -3.1629 -3.2640 PRESSURE: 3743600 -88.3349 -178.879 61.2613 -178.879 -53.1988 32.1344 61.262 32.1353 -145.505 GPRESSURE: 3743600 -90.8612 -201.373 -29.6256 -81.6841 -31.7697 5.12565 103.542 83.6478 -89.105 PRESSAVG: 3743600 19.4377 -66.989 -37.0113 -66.9889 -3.28232 7.36089 -37.0113 7.3608 -8.96731 GPRESSAVG: 3743600 19.1478 -67.6372 -36.3953 -66.3976 -2.63009 5.82382 -37.8535 6.277 -8.54066 TIMING: 3743600 CPU: 11834.9, 0.00319754/step Wall: 11834.9, 0.00319754/step, 1.11594 hours remaining, 238.355469 MB of memory in use. ENERGY: 3743600 3895.9181 20478.6536 14437.6499 247.3847 -203776.7092 2984.5786 0.0000 0.0000 52279.6869 -109452.8374 300.4521 -161732.5243 -109088.2778 299.4475 -95.6796 -70.5786 762590.3755 2.3960 2.6590 PRESSURE: 3743800 483.409 48.278 -176.502 48.2776 46.9871 90.6484 -176.502 90.6483 -67.8778 GPRESSURE: 3743800 512.006 45.3462 -240.607 -17.7114 31.5534 91.4738 -202.841 15.22 12.8248 PRESSAVG: 3743800 73.7393 -19.622 -4.3181 -19.622 -101.875 -40.4565 -4.31817 -40.4565 -6.78101 GPRESSAVG: 3743800 72.5268 -22.0672 -3.15788 -19.3712 -101.423 -39.5558 -6.98229 -40.7128 -5.46036 TIMING: 3743800 CPU: 11835.5, 0.0032134/step Wall: 11835.5, 0.0032134/step, 1.1213 hours remaining, 238.355469 MB of memory in use. ENERGY: 3743800 4026.8271 20409.3139 14477.3676 233.4488 -203460.8317 2899.3333 0.0000 0.0000 52085.3491 -109329.1918 299.3352 -161414.5409 -108973.0711 299.0627 154.1727 185.4614 761718.2395 -11.6389 -11.4523 PRESSURE: 3744000 -332.72 24.6565 -7.09182 24.6564 -67.731 69.6799 -7.09183 69.6797 186.353 GPRESSURE: 3744000 -245.65 23.8894 47.8432 46.1742 -83.3394 17.4958 -4.3922 30.9192 164.85 PRESSAVG: 3744000 79.3314 -43.2114 24.2 -43.2115 -84.8331 -13.2653 24.2 -13.2653 -9.83614 GPRESSAVG: 3744000 79.9522 -40.8737 25.3705 -45.8139 -86.0089 -13.8478 23.9377 -13.8588 -10.3426 TIMING: 3744000 CPU: 11836.1, 0.00315663/step Wall: 11836.1, 0.00315663/step, 1.10131 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3744000 3987.3308 20696.7666 14522.1243 230.2445 -202781.9737 2217.7623 0.0000 0.0000 51900.5202 -109227.2249 298.2730 -161127.7452 -108865.7417 299.5456 -71.3662 -54.7131 763257.5247 -5.1126 -5.4664 PRESSURE: 3744200 -463.054 50.5708 -25.4853 50.5708 -76.8795 -30.5741 -25.4861 -30.5738 -110.818 GPRESSURE: 3744200 -449.505 71.622 0.773707 54.9728 -60.84 43.6883 -106.507 13.1488 -56.4862 PRESSAVG: 3744200 -12.0339 -44.025 -39.729 -44.0251 11.9257 -22.4475 -39.7289 -22.4474 3.46329 GPRESSAVG: 3744200 -12.6525 -43.9214 -39.9754 -39.9063 12.8457 -22.8436 -36.4855 -19.2161 3.49913 TIMING: 3744200 CPU: 11836.8, 0.00317417/step Wall: 11836.8, 0.00317417/step, 1.10726 hours remaining, 238.355469 MB of memory in use. ENERGY: 3744200 4030.6006 20447.1564 14522.6436 232.1953 -203393.5470 2574.5999 0.0000 0.0000 52115.9866 -109470.3645 299.5113 -161586.3512 -109103.7207 299.0776 -216.9173 -188.9437 762715.2501 1.1184 1.2308 LDB: ============= START OF LOAD BALANCING ============== 11849.2 LDB: ============== END OF LOAD BALANCING =============== 11849.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11849.2 LDB: ============= START OF LOAD BALANCING ============== 11849.5 LDB: Largest compute 7036 load 0.034659 is 17.7% of average load 0.195950 LDB: Average compute 0.004377 is 2.2% of average load 0.195950 LDB: TIME 11849.5 LOAD: AVG 0.19595 MAX 0.218592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 11849.5 LOAD: AVG 0.19595 MAX 0.218592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 11849.5 LOAD: AVG 0.19595 MAX 0.218592 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11849.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11849.5 PRESSURE: 3744400 51.7649 115.351 24.0749 115.351 185.818 -23.2676 24.076 -23.2679 -251.361 GPRESSURE: 3744400 159.701 65.8797 36.0168 125.714 92.7105 0.979307 -45.9965 -143.73 -177.727 PRESSAVG: 3744400 8.57701 17.2519 18.7122 17.2518 -31.9813 27.3706 18.7121 27.3706 1.84503 GPRESSAVG: 3744400 9.66663 18.4933 17.9512 14.758 -32.6409 26.5205 16.5931 25.9569 1.50923 TIMING: 3744400 CPU: 11837.4, 0.00323588/step Wall: 11837.4, 0.00323588/step, 1.1286 hours remaining, 238.152344 MB of memory in use. ENERGY: 3744400 4006.5052 20513.5052 14470.9600 246.4921 -203322.0929 2722.5218 0.0000 0.0000 52052.3777 -109309.7309 299.1457 -161362.1086 -108946.1109 298.7328 -4.5925 24.8951 761461.0412 -7.1864 -7.1550 PRESSURE: 3744600 129.719 -25.2078 -95.0542 -25.2087 5.86906 234.077 -95.0543 234.077 -81.0546 GPRESSURE: 3744600 168.027 -4.79792 -111.798 -52.9957 84.4754 247.463 -126.507 26.1962 -109.535 PRESSAVG: 3744600 12.813 -23.1286 -0.0772878 -23.1286 -24.6179 30.6346 -0.077258 30.6346 -6.1104 GPRESSAVG: 3744600 12.9502 -26.2952 0.486479 -20.6627 -24.7899 33.122 1.80054 28.5314 -6.24165 TIMING: 3744600 CPU: 11838, 0.00315766/step Wall: 11838, 0.00315765/step, 1.10114 hours remaining, 238.355469 MB of memory in use. ENERGY: 3744600 3939.1628 20528.7813 14528.6395 244.3361 -203098.2000 2556.1031 0.0000 0.0000 51914.2083 -109386.9690 298.3517 -161301.1773 -109037.7189 299.2397 18.1779 47.6557 762574.4961 -5.9718 -6.0271 PRESSURE: 3744800 205.855 189.966 66.3583 189.965 80.5664 219.197 66.3581 219.197 16.627 GPRESSURE: 3744800 242.169 113.656 106.326 95.497 71.904 181.063 13.6704 282.077 80.4922 PRESSAVG: 3744800 16.1945 -51.6502 34.0898 -51.6503 -10.5705 -12.096 34.0897 -12.0958 -0.411043 GPRESSAVG: 3744800 16.0163 -50.829 34.4539 -52.6399 -10.177 -15.0016 33.8302 -12.0417 -0.788485 TIMING: 3744800 CPU: 11838.7, 0.00315543/step Wall: 11838.7, 0.00315543/step, 1.10019 hours remaining, 238.355469 MB of memory in use. ENERGY: 3744800 3971.4157 20510.9324 14497.1469 253.9510 -203339.9488 2791.7310 0.0000 0.0000 51995.6929 -109319.0790 298.8200 -161314.7719 -108956.2781 299.5191 101.0160 131.5216 761568.4543 1.7377 1.6836 PRESSURE: 3745000 -38.4667 -174.464 -91.7994 -174.464 29.7113 203.21 -91.7997 203.21 227.329 GPRESSURE: 3745000 -1.99814 -133.851 25.7267 -105.931 80.6661 126.537 -88.0392 268.065 216.04 PRESSAVG: 3745000 3.19669 -34.1797 -48.1028 -34.1796 -2.60803 4.56492 -48.1028 4.56501 0.251788 GPRESSAVG: 3745000 1.0412 -34.0904 -47.7616 -35.7608 -1.86293 6.016 -49.0894 5.56069 1.15517 TIMING: 3745000 CPU: 11839.3, 0.00314031/step Wall: 11839.3, 0.00314031/step, 1.09475 hours remaining, 238.355469 MB of memory in use. ENERGY: 3745000 4047.9303 20473.1959 14454.2672 243.4194 -203208.5396 2607.8509 0.0000 0.0000 52122.7630 -109259.1130 299.5502 -161381.8760 -108894.9536 299.7246 72.8579 98.2360 761334.5229 0.2802 0.1111 PRESSURE: 3745200 -240.354 77.7203 17.3052 77.7194 219.365 124.626 17.3056 124.626 -127.576 GPRESSURE: 3745200 -153.958 91.4044 -34.9038 35.259 220.532 112.812 -78.0524 -11.4398 -105.628 PRESSAVG: 3745200 41.7831 -15.9253 30.4122 -15.9253 -52.2525 4.81638 30.4122 4.8163 10.819 GPRESSAVG: 3745200 42.6941 -15.7091 30.2852 -16.5139 -51.7997 4.79712 32.0345 7.41 8.87075 TIMING: 3745200 CPU: 11839.9, 0.00315254/step Wall: 11839.9, 0.00315254/step, 1.09884 hours remaining, 238.355469 MB of memory in use. ENERGY: 3745200 4000.3448 20430.1389 14408.6894 217.2588 -203309.1953 2738.2430 0.0000 0.0000 52023.0021 -109491.5183 298.9769 -161514.5204 -109119.0160 299.6402 -49.5217 -13.0183 762043.4638 0.1166 -0.0783 PRESSURE: 3745400 65.5466 8.24926 38.7859 8.24981 -273.153 -31.2391 38.7861 -31.2384 217.974 GPRESSURE: 3745400 43.7851 -18.8998 54.0512 30.6099 -221.278 75.6983 95.4531 -62.8618 302.798 PRESSAVG: 3745400 29.8973 -63.9262 8.32678 -63.9263 -39.3477 -11.3588 8.3267 -11.3588 -1.01919 GPRESSAVG: 3745400 29.605 -63.3329 7.53237 -62.7633 -39.7207 -10.5305 8.04754 -15.2673 -0.146263 TIMING: 3745400 CPU: 11840.6, 0.00315912/step Wall: 11840.6, 0.00315912/step, 1.10095 hours remaining, 238.355469 MB of memory in use. ENERGY: 3745400 3986.4841 20609.5134 14431.4494 250.4860 -203413.8403 2762.3497 0.0000 0.0000 51844.9691 -109528.5886 297.9538 -161373.5577 -109171.0826 299.1284 3.4557 41.7684 762157.1247 -3.4899 -3.4207 PRESSURE: 3745600 90.3876 77.3414 65.6427 77.3404 -161.784 -245.499 65.6435 -245.499 326.719 GPRESSURE: 3745600 213.533 73.9571 17.5344 75.3172 -224.129 -217.484 112.161 -249.958 362.277 PRESSAVG: 3745600 33.4971 18.4843 54.6086 18.4842 -44.8484 8.68877 54.6086 8.68882 -14.8137 GPRESSAVG: 3745600 34.2416 19.501 53.9357 18.4721 -45.9468 8.35384 54.736 10.1263 -15.2089 TIMING: 3745600 CPU: 11841.2, 0.00319028/step Wall: 11841.2, 0.00319028/step, 1.11163 hours remaining, 238.355469 MB of memory in use. ENERGY: 3745600 3929.3405 20446.2942 14505.2527 228.7499 -203848.6977 3065.0545 0.0000 0.0000 52055.4222 -109618.5838 299.1632 -161674.0060 -109261.7569 299.0555 85.1077 117.2267 761504.6746 -8.7217 -8.9714 PRESSURE: 3745800 -73.5152 26.3341 12.0204 26.3341 136.603 120.289 12.0207 120.289 -84.4922 GPRESSURE: 3745800 -1.70157 -35.0875 59.2259 -34.307 137.033 135.035 120.634 108.394 -90.5091 PRESSAVG: 3745800 63.6712 -29.0696 0.801836 -29.0696 -45.3879 -7.75257 0.801839 -7.75252 28.0405 GPRESSAVG: 3745800 63.5702 -32.4198 1.8744 -30.6779 -45.0692 -9.41135 1.74922 -8.02969 27.3994 TIMING: 3745800 CPU: 11841.8, 0.00318765/step Wall: 11841.8, 0.00318764/step, 1.11054 hours remaining, 238.355469 MB of memory in use. ENERGY: 3745800 3954.8743 20655.9946 14431.3060 263.1133 -203579.5361 2751.1232 0.0000 0.0000 51910.6703 -109612.4543 298.3313 -161523.1246 -109250.4606 299.1400 -7.1349 14.9407 760612.0860 15.4412 15.3001 PRESSURE: 3746000 -230.827 17.18 171.685 17.1799 -77.551 -124.212 171.686 -124.211 -254.41 GPRESSURE: 3746000 -214.793 3.07183 226.839 22.1079 -72.2989 -133.998 6.54125 -184.454 -187.714 PRESSAVG: 3746000 -6.62627 -69.0383 3.12359 -69.0383 -27.8389 -22.3196 3.12368 -22.3196 2.00916 GPRESSAVG: 3746000 -6.81749 -67.5817 2.52639 -68.8951 -27.854 -21.4487 2.17816 -22.5486 2.17536 TIMING: 3746000 CPU: 11842.5, 0.00316932/step Wall: 11842.5, 0.00316932/step, 1.10398 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3746000 3924.9987 20629.0535 14405.3844 259.5711 -203166.9801 2328.0308 0.0000 0.0000 52172.8669 -109447.0748 299.8382 -161619.9417 -109074.7805 298.8961 -187.5960 -158.2687 762861.7420 -10.8187 -10.8320 PRESSURE: 3746200 15.0572 131.224 1.68215 131.224 111.835 225.02 1.68245 225.021 -2.92612 GPRESSURE: 3746200 58.8406 26.1978 13.6318 94.1491 141.853 248.141 101.948 185.908 5.89426 PRESSAVG: 3746200 -19.6881 -5.7062 10.2427 -5.70616 18.7486 3.98026 10.2428 3.98038 5.61368 GPRESSAVG: 3746200 -19.1472 -4.90543 11.8712 -6.09227 18.5043 4.31736 6.62275 4.48314 4.91749 TIMING: 3746200 CPU: 11843.1, 0.00317945/step Wall: 11843.1, 0.00317945/step, 1.10733 hours remaining, 238.355469 MB of memory in use. ENERGY: 3746200 4078.0863 20658.8426 14413.5035 267.3217 -203969.8534 3055.5184 0.0000 0.0000 52137.9317 -109358.6491 299.6374 -161496.5808 -108998.3878 298.9853 41.3220 68.8627 761045.8421 1.5581 1.4249 PRESSURE: 3746400 -3.66323 -24.9643 -184.211 -24.9649 41.0402 152.585 -184.211 152.585 -210.529 GPRESSURE: 3746400 135.395 -10.1012 -187.461 74.4391 -13.627 47.0146 -39.8845 148.858 -231.217 PRESSAVG: 3746400 35.9315 -36.0134 -12.7022 -36.0134 19.6815 8.23943 -12.7022 8.23947 -4.67863 GPRESSAVG: 3746400 35.1539 -36.1034 -12.2239 -36.0001 19.7697 6.26255 -9.29873 8.14344 -4.43134 TIMING: 3746400 CPU: 11843.7, 0.00320393/step Wall: 11843.7, 0.00320393/step, 1.11568 hours remaining, 238.355469 MB of memory in use. ENERGY: 3746400 4046.4318 20354.7284 14508.6727 238.1083 -203329.6643 2610.8615 0.0000 0.0000 52123.1736 -109447.6881 299.5526 -161570.8617 -109079.6913 299.2810 -57.7174 -36.4828 761408.1997 16.9781 16.8308 PRESSURE: 3746600 -7.38831 22.8267 174.83 22.8257 -106.434 176.056 174.829 176.056 -31.3232 GPRESSURE: 3746600 -42.3585 4.21651 181.622 -9.04022 -28.7896 216.175 159.215 208.865 18.6374 PRESSAVG: 3746600 52.2444 -4.20467 -10.958 -4.20463 -55.7852 -20.0544 -10.958 -20.0543 -25.704 GPRESSAVG: 3746600 51.813 -2.55918 -13.3309 -4.59265 -56.1962 -18.3069 -9.64511 -20.5562 -24.3541 TIMING: 3746600 CPU: 11844.4, 0.00313298/step Wall: 11844.4, 0.00313298/step, 1.0908 hours remaining, 238.355469 MB of memory in use. ENERGY: 3746600 4074.5759 20442.7116 14545.8520 255.7160 -203450.8890 2781.4097 0.0000 0.0000 51821.2846 -109529.3392 297.8176 -161350.6239 -109168.9506 298.6450 -48.3818 -17.5036 762901.6591 -9.7483 -9.5791 PRESSURE: 3746800 -190.507 64.6783 -68.7502 64.6776 -156.771 67.1185 -68.751 67.1182 -187.402 GPRESSURE: 3746800 -80.7988 -26.7797 49.5773 143.919 -223.497 62.6651 -126.508 81.7806 -128.696 PRESSAVG: 3746800 79.6869 47.044 9.5891 47.0441 -77.6581 -13.7263 9.58909 -13.7263 13.0787 GPRESSAVG: 3746800 81.3431 46.0977 10.444 47.1372 -79.1027 -13.199 5.40396 -15.3218 13.0242 TIMING: 3746800 CPU: 11845, 0.00316268/step Wall: 11845, 0.00316268/step, 1.10096 hours remaining, 238.355469 MB of memory in use. ENERGY: 3746800 4013.9180 20590.1674 14509.1618 261.0374 -203639.7244 2689.6096 0.0000 0.0000 51794.8646 -109780.9658 297.6658 -161575.8303 -109424.5471 297.9565 -178.2268 -144.3307 762170.4665 5.0359 5.0882 PRESSURE: 3747000 -338.132 93.4336 -180.886 93.4327 9.37021 121.68 -180.886 121.68 -234.191 GPRESSURE: 3747000 -268.363 142.477 -198.521 92.2427 -22.1138 66.8469 -58.2971 105.677 -196.304 PRESSAVG: 3747000 0.125421 -17.2468 -38.6315 -17.2468 -9.22821 47.2967 -38.6315 47.2967 -16.7382 GPRESSAVG: 3747000 -1.26557 -18.208 -38.4354 -16.4774 -7.0634 46.747 -36.932 49.5624 -17.0538 TIMING: 3747000 CPU: 11845.6, 0.00317236/step Wall: 11845.6, 0.00317236/step, 1.10416 hours remaining, 238.355469 MB of memory in use. ENERGY: 3747000 4089.9219 20545.8746 14491.0789 242.7817 -203697.8827 2831.3488 0.0000 0.0000 51913.3208 -109583.5560 298.3466 -161496.8768 -109230.3500 298.3926 -187.6510 -162.2602 762191.4069 -8.6137 -8.4609 PRESSURE: 3747200 -15.0243 -71.5509 2.65944 -71.5514 -497.244 -197.36 2.65818 -197.359 -588.678 GPRESSURE: 3747200 -104.492 -116.917 57.3853 -141.57 -398.146 -82.3377 -51.2617 -277.926 -529.849 PRESSAVG: 3747200 -40.3607 1.11706 1.104 1.11703 7.07935 17.6016 1.104 17.6017 -1.98161 GPRESSAVG: 3747200 -40.7623 2.8345 1.18119 0.807846 5.97518 16.9285 0.177881 17.294 -0.828841 TIMING: 3747200 CPU: 11846.3, 0.00313243/step Wall: 11846.3, 0.00313243/step, 1.09009 hours remaining, 238.355469 MB of memory in use. ENERGY: 3747200 4031.8397 20581.9820 14522.6228 227.1588 -203811.6843 2686.2376 0.0000 0.0000 52027.1268 -109734.7166 299.0006 -161761.8433 -109370.3258 298.4695 -366.9821 -344.1621 763161.5986 -11.7543 -11.8720 PRESSURE: 3747400 164.629 36.2144 187.408 36.2138 -201.229 121.161 187.407 121.16 66.5696 GPRESSURE: 3747400 280.253 43.3593 115.642 48.1692 -200.369 160.335 136.22 120.686 47.5486 PRESSAVG: 3747400 30.2035 6.65009 -17.4796 6.65006 -40.2894 18.6818 -17.4797 18.6818 -12.9269 GPRESSAVG: 3747400 30.3095 4.29694 -16.4712 7.57579 -39.0982 19.8204 -16.1 16.4091 -13.5312 TIMING: 3747400 CPU: 11846.9, 0.0031681/step Wall: 11846.9, 0.0031681/step, 1.10232 hours remaining, 238.355469 MB of memory in use. ENERGY: 3747400 4013.2254 20587.6562 14499.1540 234.9885 -203697.5710 2985.6375 0.0000 0.0000 51858.4249 -109518.4844 298.0311 -161376.9093 -109159.7872 298.7556 9.9898 42.4775 761983.0101 -7.6709 -7.4400 PRESSURE: 3747600 35.1381 10.9391 -79.8599 10.9392 -175.231 -19.3255 -79.8594 -19.3247 -394.201 GPRESSURE: 3747600 9.47905 50.5179 -58.1584 12.7297 -177.258 -59.9417 -100.929 -41.1909 -297.025 PRESSAVG: 3747600 53.4928 44.12 4.55636 44.12 -59.8288 -35.6903 4.55637 -35.6903 -1.03499 GPRESSAVG: 3747600 53.2232 47.02 1.24731 42.5552 -59.201 -35.6202 4.09158 -35.1546 -1.22234 TIMING: 3747600 CPU: 11847.5, 0.00315053/step Wall: 11847.5, 0.00315053/step, 1.09604 hours remaining, 238.355469 MB of memory in use. ENERGY: 3747600 4012.3543 20726.9750 14444.0654 236.2950 -203519.0560 2587.9806 0.0000 0.0000 52069.2793 -109442.1063 299.2429 -161511.3856 -109084.9897 299.3831 -178.0981 -154.9345 762490.1726 -2.4570 -2.4001 PRESSURE: 3747800 216.432 22.5748 -117.449 22.5749 -116.631 49.2463 -117.449 49.247 -84.0744 GPRESSURE: 3747800 264.606 -17.7785 -115.222 -82.3737 -157.967 -8.8252 -38.6307 -15.3507 -6.29165 PRESSAVG: 3747800 65.7231 30.5059 29.2202 30.5059 -68.7623 -1.68776 29.2202 -1.68779 18.0527 GPRESSAVG: 3747800 66.6711 28.6587 29.9093 31.2176 -70.4617 -2.55084 29.2789 -0.690139 18.1644 TIMING: 3747800 CPU: 11848.2, 0.00313414/step Wall: 11848.2, 0.00313414/step, 1.09016 hours remaining, 238.355469 MB of memory in use. ENERGY: 3747800 3955.3336 20762.8439 14459.9934 239.7340 -204118.7238 3026.0076 0.0000 0.0000 52175.9064 -109498.9050 299.8557 -161674.8113 -109137.9581 299.4429 5.2421 33.4493 761938.3455 5.0045 4.7913 PRESSURE: 3748000 19.9417 62.1219 184.897 62.1211 -427.361 -155.344 184.897 -155.345 -78.6822 GPRESSURE: 3748000 8.3596 73.121 161.406 -65.9711 -326.153 -129.519 204.998 -62.4137 -90.6226 PRESSAVG: 3748000 37.9322 42.2952 -1.56646 42.2952 -13.3908 -30.2456 -1.56656 -30.2456 6.23032 GPRESSAVG: 3748000 37.1675 42.3212 -0.161409 41.068 -12.1496 -30.2487 -2.55174 -29.7375 6.33714 TIMING: 3748000 CPU: 11848.8, 0.00320487/step Wall: 11848.8, 0.00320487/step, 1.11458 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3748000 4036.6687 20627.0325 14513.2514 253.9006 -203825.9003 2760.7842 0.0000 0.0000 52191.1021 -109443.1608 299.9430 -161634.2629 -109087.3425 299.6262 -162.0337 -136.1387 763242.3225 10.2573 10.4517 PRESSURE: 3748200 -204.569 64.7596 235.42 64.7589 -128.794 290.464 235.42 290.463 -245.587 GPRESSURE: 3748200 -240.998 30.2988 198.994 122.024 -117.625 322.594 277.293 279.812 -143.402 PRESSAVG: 3748200 26.4225 34.9921 18.3999 34.9921 -64.0883 50.5578 18.4 50.5578 1.54399 GPRESSAVG: 3748200 26.3211 35.6269 19.0189 37.1451 -63.722 49.8985 21.575 50.6746 1.67453 TIMING: 3748200 CPU: 11849.4, 0.00317721/step Wall: 11849.4, 0.00317721/step, 1.10479 hours remaining, 238.355469 MB of memory in use. ENERGY: 3748200 3985.6235 20699.8229 14540.5213 259.5521 -203776.2213 2866.4626 0.0000 0.0000 51837.5574 -109586.6815 297.9112 -161424.2388 -109226.5720 299.7397 -192.9834 -167.3416 762838.1059 -12.0406 -11.9088 LDB: ============= START OF LOAD BALANCING ============== 11861.8 LDB: ============== END OF LOAD BALANCING =============== 11861.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11861.8 LDB: ============= START OF LOAD BALANCING ============== 11862.1 LDB: Largest compute 7036 load 0.032793 is 16.7% of average load 0.196170 LDB: Average compute 0.004366 is 2.2% of average load 0.196170 LDB: TIME 11862.1 LOAD: AVG 0.19617 MAX 0.217229 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 11862.1 LOAD: AVG 0.19617 MAX 0.217229 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.254 MB LDB: TIME 11862.1 LOAD: AVG 0.19617 MAX 0.217229 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.254 MB LDB: ============== END OF LOAD BALANCING =============== 11862.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11862.2 PRESSURE: 3748400 -91.2013 -251.774 169.682 -251.772 127.415 -84.2205 169.682 -84.2204 -16.3382 GPRESSURE: 3748400 -7.47461 -196.094 106.861 -186.495 119.296 -113.131 161.898 -98.2458 10.6743 PRESSAVG: 3748400 -4.5983 -24.599 35.4277 -24.599 -27.7297 50.4243 35.4277 50.4243 -5.36082 GPRESSAVG: 3748400 -4.07731 -24.8691 34.7969 -24.5983 -27.8034 51.7498 32.2947 49.6563 -5.43666 TIMING: 3748400 CPU: 11850.1, 0.00320137/step Wall: 11850.1, 0.00320137/step, 1.11301 hours remaining, 238.152344 MB of memory in use. ENERGY: 3748400 4058.4532 20621.1526 14511.9106 241.1695 -203904.7142 2842.4411 0.0000 0.0000 51935.8443 -109693.7429 298.4760 -161629.5872 -109332.7646 299.1329 6.6251 40.8318 761690.4016 -12.5629 -12.4391 PRESSURE: 3748600 365.232 -19.4356 -163.957 -19.4367 22.7879 40.1141 -163.956 40.1138 -0.681143 GPRESSURE: 3748600 322.654 46.5819 -78.198 54.161 138.441 -11.6583 -103.879 74.4111 1.85224 PRESSAVG: 3748600 37.237 -15.2624 19.1794 -15.2624 2.68404 1.81209 19.1794 1.81205 2.20922 GPRESSAVG: 3748600 36.6662 -15.5972 18.3479 -14.9486 3.39622 2.33441 21.2249 1.82359 2.02506 TIMING: 3748600 CPU: 11850.7, 0.00315875/step Wall: 11850.7, 0.00315875/step, 1.09802 hours remaining, 238.355469 MB of memory in use. ENERGY: 3748600 4040.8328 20491.6998 14542.5398 236.4949 -203903.2953 2817.3397 0.0000 0.0000 52137.9795 -109636.4088 299.6377 -161774.3882 -109282.1026 299.8973 129.1127 154.3156 760961.1866 14.0434 14.0292 PRESSURE: 3748800 280.513 -111.746 228.681 -111.746 -178.064 -148.542 228.681 -148.541 -153.321 GPRESSURE: 3748800 360.441 -187.732 172.471 -150.154 -150.077 -178.445 187.113 -14.1307 -157.939 PRESSAVG: 3748800 63.3738 28.3518 40.1673 28.3518 -32.7411 -0.330676 40.1672 -0.330708 -10.7005 GPRESSAVG: 3748800 64.4241 28.6787 40.9519 26.1856 -33.6656 -0.746197 37.9161 1.17419 -10.6479 TIMING: 3748800 CPU: 11851.3, 0.00314644/step Wall: 11851.3, 0.00314644/step, 1.09356 hours remaining, 238.355469 MB of memory in use. ENERGY: 3748800 4037.5464 20496.2133 14454.2124 255.8517 -203783.4232 2740.5714 0.0000 0.0000 52209.0843 -109589.9436 300.0463 -161799.0279 -109223.6534 299.4237 -16.9572 17.4750 762433.5307 6.6441 6.7036 PRESSURE: 3749000 172.733 -126.006 83.4634 -126.005 -15.0381 193.487 83.4634 193.488 339.95 GPRESSURE: 3749000 121.261 -56.3956 180.702 -229.11 73.5299 126.237 75.8084 326.027 386.429 PRESSAVG: 3749000 -11.5596 3.2184 -11.7069 3.21847 0.801651 44.3112 -11.7069 44.3113 -25.1121 GPRESSAVG: 3749000 -10.9614 3.91515 -10.6739 2.85619 1.39127 42.945 -11.9641 44.7564 -25.9695 TIMING: 3749000 CPU: 11852, 0.0031757/step Wall: 11852, 0.0031757/step, 1.10356 hours remaining, 238.355469 MB of memory in use. ENERGY: 3749000 4021.4262 20533.1195 14427.3639 247.9641 -203917.8109 2978.2614 0.0000 0.0000 51974.3630 -109735.3128 298.6974 -161709.6758 -109376.1198 299.3827 165.8816 193.7398 759961.6577 -11.9567 -11.8465 PRESSURE: 3749200 -267.115 -146.135 -181.82 -146.136 -200.922 238.023 -181.82 238.024 116.976 GPRESSURE: 3749200 -107.335 -80.8933 -227.772 -89.904 -230.089 157.938 -314.7 265.409 43.4577 PRESSAVG: 3749200 -3.41669 -43.9657 10.8967 -43.9657 -37.04 42.8356 10.8967 42.8357 -2.45448 GPRESSAVG: 3749200 -3.34824 -44.292 10.2472 -41.5155 -38.069 42.9886 10.6821 41.6565 -2.08987 TIMING: 3749200 CPU: 11852.6, 0.00317959/step Wall: 11852.6, 0.00317959/step, 1.10473 hours remaining, 238.355469 MB of memory in use. ENERGY: 3749200 4056.8037 20532.3561 14482.6615 246.1037 -203683.7841 2544.7120 0.0000 0.0000 52030.4096 -109790.7374 299.0195 -161821.1470 -109433.7096 299.0710 -117.0205 -97.9890 761008.8896 -14.3037 -14.5024 PRESSURE: 3749400 -151.009 -352.76 135.016 -352.76 -241.814 38.795 135.017 38.7958 -222.567 GPRESSURE: 3749400 -185.95 -201.086 168.614 -218.705 -147.612 74.609 263.694 -3.53803 -190.135 PRESSAVG: 3749400 66.5183 -7.40843 23.1306 -7.40846 -34.8172 34.0014 23.1306 34.0015 -8.72613 GPRESSAVG: 3749400 66.294 -8.76425 22.5104 -6.86778 -34.4207 34.8374 24.2124 32.7063 -9.22692 TIMING: 3749400 CPU: 11853.2, 0.00314896/step Wall: 11853.2, 0.00314896/step, 1.09392 hours remaining, 238.355469 MB of memory in use. ENERGY: 3749400 3969.1864 20653.3588 14486.6713 251.3405 -204200.4250 2774.2124 0.0000 0.0000 52035.2844 -110030.3712 299.0475 -162065.6555 -109668.5443 298.1179 -205.1302 -174.5657 759779.3206 7.6583 7.5488 PRESSURE: 3749600 -28.2596 -84.8443 35.7215 -84.8438 -140.681 136.725 35.7224 136.724 -186.579 GPRESSURE: 3749600 -24.8084 12.8206 77.4536 -94.0886 -78.9461 170.571 -12.153 47.0145 -149.934 PRESSAVG: 3749600 48.0161 -8.59363 -30.3378 -8.59358 -9.56601 40.4939 -30.3377 40.494 -22.4125 GPRESSAVG: 3749600 47.5367 -7.6844 -29.9427 -9.51587 -8.41888 40.3967 -30.8847 42.4015 -22.5994 TIMING: 3749600 CPU: 11853.9, 0.00316191/step Wall: 11853.9, 0.00316191/step, 1.09824 hours remaining, 238.355469 MB of memory in use. ENERGY: 3749600 4001.1749 20559.0289 14454.7375 225.0721 -203955.8434 2765.2960 0.0000 0.0000 51809.4786 -110141.0553 297.7498 -161950.5339 -109780.3561 298.3831 -118.5067 -84.5627 760176.1574 5.3459 5.5061 PRESSURE: 3749800 37.0578 -34.4904 304.002 -34.4907 -260.861 142.788 304.002 142.788 43.4635 GPRESSURE: 3749800 37.5147 11.2182 306.011 -5.96081 -194.305 171.902 157.163 71.3695 58.2223 PRESSAVG: 3749800 43.3808 29.8488 15.7741 29.8488 -68.0806 -26.7432 15.7741 -26.7431 -11.6642 GPRESSAVG: 3749800 45.1245 27.5801 14.2834 29.5481 -70.2386 -27.7998 14.2969 -27.9794 -11.6624 TIMING: 3749800 CPU: 11854.5, 0.0031674/step Wall: 11854.5, 0.0031674/step, 1.09997 hours remaining, 238.355469 MB of memory in use. ENERGY: 3749800 3995.7696 20728.6678 14517.9847 235.2575 -203991.5894 2660.5748 0.0000 0.0000 51742.1555 -110111.1795 297.3629 -161853.3350 -109744.1780 298.0791 -60.1131 -32.8560 760129.8501 -12.1214 -12.2588 PRESSURE: 3750000 -67.8712 -64.0468 -78.6438 -64.0475 2.49396 39.8947 -78.643 39.8939 -35.8451 GPRESSURE: 3750000 -89.1479 -201.974 -97.8817 -111.994 57.9019 13.6659 -71.9109 16.3229 26.7631 PRESSAVG: 3750000 17.6664 -36.862 30.0339 -36.862 -32.0291 -15.3259 30.0339 -15.3258 -15.7335 GPRESSAVG: 3750000 16.3448 -35.6225 30.8589 -36.785 -30.7312 -16.3307 32.2703 -15.4607 -14.9873 TIMING: 3750000 CPU: 11855.1, 0.00315407/step Wall: 11855.1, 0.00315408/step, 1.09516 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3750000 4028.1425 20594.2229 14492.6401 243.1267 -204349.4376 2965.6220 0.0000 0.0000 51972.1285 -110053.5549 298.6845 -162025.6834 -109691.4992 298.2607 -33.7408 -1.4943 761667.5652 -10.0321 -9.7912 PRESSURE: 3750200 -215.407 60.9069 -106.588 60.9068 -312.554 -208.139 -106.589 -208.14 -184.146 GPRESSURE: 3750200 -104.444 58.4232 -107.183 41.7983 -305.479 -128.847 -99.546 -45.4157 -237.809 PRESSAVG: 3750200 30.2389 -45.7384 23.1449 -45.7384 -29.4827 -5.11011 23.1449 -5.11011 -8.48301 GPRESSAVG: 3750200 29.8947 -48.2251 22.5078 -45.856 -28.8902 -3.61561 24.0386 -2.05537 -8.8213 TIMING: 3750200 CPU: 11855.8, 0.00318541/step Wall: 11855.8, 0.0031854/step, 1.10587 hours remaining, 238.355469 MB of memory in use. ENERGY: 3750200 4031.9647 20650.9846 14504.9106 266.5467 -204309.8525 2878.2965 0.0000 0.0000 51965.4829 -110011.6664 298.6463 -161977.1494 -109661.9764 298.4854 -237.3686 -215.9107 760346.2991 -2.5756 -2.6056 PRESSURE: 3750400 192.922 100.666 243.16 100.666 34.9409 98.361 243.161 98.3608 1.55998 GPRESSURE: 3750400 126.087 -31.1566 203.87 90.6962 175.943 82.9908 228.093 26.1955 21.6931 PRESSAVG: 3750400 65.4619 -26.1865 27.0126 -26.1866 -52.9708 -79.8695 27.0125 -79.8695 -5.22175 GPRESSAVG: 3750400 65.5812 -23.4169 26.1633 -26.3769 -52.8981 -78.4768 27.0415 -79.9766 -5.96887 TIMING: 3750400 CPU: 11856.4, 0.0031681/step Wall: 11856.4, 0.0031681/step, 1.09968 hours remaining, 238.355469 MB of memory in use. ENERGY: 3750400 3928.1843 20561.6958 14628.2817 253.5768 -203847.6403 2664.0710 0.0000 0.0000 51783.9863 -110027.8444 297.6033 -161811.8307 -109676.1224 298.3874 76.4743 107.9074 759004.4928 2.4231 2.2381 PRESSURE: 3750600 117.048 3.83835 104.441 3.83867 -111.608 72.1326 104.441 72.1323 -111.29 GPRESSURE: 3750600 82.0704 83.28 173.445 -22.8055 -129.387 81.2364 78.0081 -4.91351 29.4716 PRESSAVG: 3750600 48.9027 -39.3586 -34.8753 -39.3586 -31.3673 -26.4605 -34.8753 -26.4604 -28.9154 GPRESSAVG: 3750600 48.7526 -39.9181 -32.1574 -39.355 -32.4333 -26.4345 -35.1952 -28.459 -27.9598 TIMING: 3750600 CPU: 11857, 0.00316141/step Wall: 11857, 0.00316141/step, 1.09718 hours remaining, 238.355469 MB of memory in use. ENERGY: 3750600 4051.0026 20474.3577 14514.9137 234.5963 -203725.7148 2608.6008 0.0000 0.0000 51963.0946 -109879.1491 298.6326 -161842.2437 -109507.5059 298.5274 -35.2831 -5.9482 760831.6636 -3.7933 -3.8802 PRESSURE: 3750800 -166.705 194.939 -213.767 194.939 203.086 34.351 -213.768 34.3515 36.5325 GPRESSURE: 3750800 -150.34 130.033 -252.159 161.556 234.583 -23.2766 -219.255 8.26299 71.3496 PRESSAVG: 3750800 -8.15565 -69.1067 0.880304 -69.1067 -3.30296 -16.1707 0.880311 -16.1707 -18.1196 GPRESSAVG: 3750800 -8.30386 -67.4896 0.749514 -69.0331 -2.86578 -15.8007 -0.0151977 -16.1414 -18.6211 TIMING: 3750800 CPU: 11857.7, 0.00317275/step Wall: 11857.7, 0.00317275/step, 1.10094 hours remaining, 238.355469 MB of memory in use. ENERGY: 3750800 4020.9722 20661.3296 14497.6948 238.3359 -203976.7462 2645.7532 0.0000 0.0000 51844.7414 -110067.9191 297.9524 -161912.6605 -109708.0250 298.7972 24.3044 51.8640 760009.3898 -9.8594 -9.9302 PRESSURE: 3751000 -47.1898 -231.385 199.239 -231.384 -17.1822 50.9634 199.24 50.9644 53.7402 GPRESSURE: 3751000 -8.13068 -297.116 103.416 -148.23 79.786 82.6922 229.044 172.252 0.469111 PRESSAVG: 3751000 18.5276 10.0288 -45.5803 10.0288 -48.2896 -14.8767 -45.5804 -14.8766 2.77389 GPRESSAVG: 3751000 19.2056 7.65205 -47.3282 9.94625 -47.764 -16.3596 -43.6207 -13.5713 2.26919 TIMING: 3751000 CPU: 11858.3, 0.00314977/step Wall: 11858.3, 0.00314977/step, 1.09279 hours remaining, 238.355469 MB of memory in use. ENERGY: 3751000 4010.6021 20493.5392 14448.9396 262.2532 -204043.9446 2849.9863 0.0000 0.0000 51997.6672 -109980.9569 298.8313 -161978.6241 -109622.3056 298.5221 -3.5439 24.0415 762189.5383 -8.9960 -8.7631 PRESSURE: 3751200 45.3162 -6.95634 97.631 -6.95661 193.991 -10.9339 97.6319 -10.9343 -228.334 GPRESSURE: 3751200 180.416 -111.815 139.723 71.0666 119.247 -12.3758 157.949 -21.0706 -195.045 PRESSAVG: 3751200 -19.4616 -8.32007 4.01956 -8.31999 57.3076 -24.5842 4.01961 -24.5842 0.692305 GPRESSAVG: 3751200 -18.4302 -7.2485 5.13705 -7.26217 55.4379 -24.0904 2.80063 -24.366 1.05012 TIMING: 3751200 CPU: 11858.9, 0.00317317/step Wall: 11858.9, 0.00317317/step, 1.10074 hours remaining, 238.355469 MB of memory in use. ENERGY: 3751200 4060.4572 20571.2142 14521.4478 233.9246 -203693.5197 2683.6363 0.0000 0.0000 51840.0293 -109782.8102 297.9254 -161622.8396 -109425.5041 299.3983 3.6578 34.8726 762705.9492 12.8461 12.6859 PRESSURE: 3751400 -402.677 18.0768 64.1904 18.0768 -18.7663 -177.913 64.1903 -177.913 -433.659 GPRESSURE: 3751400 -347.021 -28.8365 -34.2056 110.572 -74.4106 -227.023 -22.6281 -289.097 -336.853 PRESSAVG: 3751400 12.6532 -50.4256 11.2288 -50.4256 4.18036 -18.7135 11.2289 -18.7135 15.2033 GPRESSAVG: 3751400 12.467 -48.7934 9.44049 -52.3106 3.7506 -18.465 10.9457 -18.8845 15.4922 TIMING: 3751400 CPU: 11859.6, 0.00319759/step Wall: 11859.6, 0.00319759/step, 1.10903 hours remaining, 238.355469 MB of memory in use. ENERGY: 3751400 3971.8522 20541.4489 14457.7222 238.5858 -203508.7487 2171.6001 0.0000 0.0000 52012.7195 -110114.8200 298.9178 -162127.5394 -109743.1073 298.6242 -285.0341 -252.7613 760724.8777 10.6790 10.5699 PRESSURE: 3751600 -132.644 62.3339 55.0438 62.3341 -116.3 -217.712 55.0445 -217.712 -185.631 GPRESSURE: 3751600 -48.5651 111.788 65.952 4.49287 -165.187 -200.526 161.37 -134.469 -125.865 PRESSAVG: 3751600 -21.25 -22.8923 -33.0628 -22.8924 22.7321 -59.3753 -33.0627 -59.3753 -4.28379 GPRESSAVG: 3751600 -21.3153 -23.0066 -31.9328 -22.0252 23.0974 -58.6099 -32.2525 -60.8504 -4.93444 TIMING: 3751600 CPU: 11860.2, 0.00317732/step Wall: 11860.2, 0.00317732/step, 1.10183 hours remaining, 238.355469 MB of memory in use. ENERGY: 3751600 4000.5768 20448.2875 14373.9070 254.8669 -203741.5696 2628.1538 0.0000 0.0000 51814.2972 -110221.4805 297.7775 -162035.7777 -109866.1724 298.7396 -144.8584 -113.2056 759989.8386 -0.9339 -1.0508 PRESSURE: 3751800 -34.3763 -220.837 292.638 -220.837 281.646 2.31324 292.638 2.31532 169.843 GPRESSURE: 3751800 -5.40268 -214.832 289.134 -175.333 275.38 -32.9865 225.405 52.8717 232.993 PRESSAVG: 3751800 15.5339 -4.08663 13.2708 -4.08661 -12.6851 -21.043 13.2708 -21.043 -18.2059 GPRESSAVG: 3751800 13.8815 -5.26507 14.2525 -2.71532 -13.117 -21.9587 11.9278 -21.2711 -16.4228 TIMING: 3751800 CPU: 11860.8, 0.00316736/step Wall: 11860.8, 0.00316736/step, 1.09819 hours remaining, 238.355469 MB of memory in use. ENERGY: 3751800 3965.4745 20432.9147 14419.2353 262.7414 -203413.7935 2546.8334 0.0000 0.0000 51727.6431 -110058.9511 297.2795 -161786.5942 -109701.5288 297.5174 139.0375 167.6567 759645.8777 -5.1190 -5.2194 PRESSURE: 3752000 -465.837 -66.9515 -11.7572 -66.9524 -47.8033 82.3226 -11.7572 82.3236 -113.264 GPRESSURE: 3752000 -349.127 -11.0043 -24.8404 -68.0851 -1.26281 50.7276 36.3044 -66.0553 -192.993 PRESSAVG: 3752000 -15.1639 -18.4319 33.1114 -18.4319 44.1582 -17.3249 33.1114 -17.3249 21.4931 GPRESSAVG: 3752000 -13.6645 -18.06 32.0791 -19.3984 44.3843 -17.3733 33.2728 -17.3144 19.8275 TIMING: 3752000 CPU: 11861.5, 0.00316487/step Wall: 11861.5, 0.00316486/step, 1.09715 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3752000 4079.8701 20445.3728 14424.5911 236.6688 -203509.1285 2532.7487 0.0000 0.0000 51768.9569 -110020.9200 297.5169 -161789.8769 -109658.2216 298.0061 -208.9681 -181.1274 761055.8666 16.8291 16.8491 PRESSURE: 3752200 -106.979 -52.665 -49.0293 -52.6654 224.18 45.3883 -49.0286 45.3886 53.1137 GPRESSURE: 3752200 -120.26 18.6877 -79.3526 -104.239 232.816 -41.2539 88.0218 60.9946 136.196 PRESSAVG: 3752200 -56.4626 -4.43341 41.1197 -4.43345 78.0156 -33.082 41.1197 -33.082 26.2369 GPRESSAVG: 3752200 -56.8018 -6.78562 40.7363 -2.73404 77.9987 -32.3542 42.7025 -31.6318 26.3509 TIMING: 3752200 CPU: 11862.1, 0.0031804/step Wall: 11862.1, 0.0031804/step, 1.10236 hours remaining, 238.355469 MB of memory in use. ENERGY: 3752200 4082.6306 20487.5588 14458.3009 243.1819 -203555.9396 2750.6293 0.0000 0.0000 51820.4567 -109713.1815 297.8129 -161533.6382 -109355.8835 298.2655 56.7716 82.9177 760403.5064 15.9300 15.8493 LDB: ============= START OF LOAD BALANCING ============== 11874.5 LDB: ============== END OF LOAD BALANCING =============== 11874.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11874.5 LDB: ============= START OF LOAD BALANCING ============== 11874.8 LDB: Largest compute 7068 load 0.032468 is 16.6% of average load 0.196117 LDB: Average compute 0.004379 is 2.2% of average load 0.196117 LDB: TIME 11874.8 LOAD: AVG 0.196117 MAX 0.217305 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 11874.8 LOAD: AVG 0.196117 MAX 0.217305 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: TIME 11874.8 LOAD: AVG 0.196117 MAX 0.217305 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11874.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11874.8 PRESSURE: 3752400 50.7749 -23.6384 -129.754 -23.6385 -367.116 -80.8145 -129.754 -80.8149 -390.809 GPRESSURE: 3752400 98.6185 -35.9564 -111.655 -53.0943 -359.17 -16.8736 -167.438 -41.365 -353.764 PRESSAVG: 3752400 -74.0884 -39.8505 -23.4234 -39.8505 30.7422 -68.3158 -23.4235 -68.3159 7.53063 GPRESSAVG: 3752400 -73.3212 -38.3964 -22.105 -40.7463 29.659 -68.7234 -26.2739 -68.5234 7.12729 TIMING: 3752400 CPU: 11862.8, 0.00325932/step Wall: 11862.8, 0.00325932/step, 1.12954 hours remaining, 237.332031 MB of memory in use. ENERGY: 3752400 3997.5688 20273.9080 14409.8324 244.3956 -203113.4138 2347.1275 0.0000 0.0000 52080.6352 -109759.9464 299.3081 -161840.5816 -109400.1158 298.4856 -235.7167 -204.7720 761889.5875 -11.9385 -12.1783 PRESSURE: 3752600 108.902 172.018 284.477 172.019 189.273 47.0436 284.477 47.0439 304.592 GPRESSURE: 3752600 142.286 174.46 319.301 263.769 224.609 98.5442 241.874 -60.8676 326.948 PRESSAVG: 3752600 -48.7028 44.3802 41.887 44.3802 73.3659 -22.1868 41.887 -22.1868 30.7095 GPRESSAVG: 3752600 -51.0264 43.5684 40.2067 43.7825 74.4421 -22.9839 43.5016 -22.6141 31.712 TIMING: 3752600 CPU: 11863.4, 0.00317454/step Wall: 11863.4, 0.00317455/step, 1.09998 hours remaining, 237.332031 MB of memory in use. ENERGY: 3752600 3970.6906 20392.3518 14422.4709 230.6813 -203721.0753 2845.1509 0.0000 0.0000 52050.4127 -109809.3171 299.1344 -161859.7299 -109437.2264 298.4886 200.9226 231.2809 761535.8275 18.4575 18.3759 PRESSURE: 3752800 -287.418 296.459 -32.8343 296.459 -241.88 116.913 -32.834 116.913 -172.469 GPRESSURE: 3752800 -297.151 276.75 7.66681 214.457 -205.336 197.219 -43.2087 -20.8805 -123.916 PRESSAVG: 3752800 -33.0076 8.28774 -0.725479 8.28778 8.81388 -32.9598 -0.725429 -32.9598 -24.9191 GPRESSAVG: 3752800 -31.8336 9.11851 1.26649 7.14904 8.6663 -30.1249 -0.218591 -36.1033 -25.6033 TIMING: 3752800 CPU: 11864, 0.00316096/step Wall: 11864, 0.00316096/step, 1.0951 hours remaining, 237.332031 MB of memory in use. ENERGY: 3752800 4012.2132 20644.7473 14400.4491 238.3513 -203182.7132 2423.3502 0.0000 0.0000 51677.7191 -109785.8831 296.9926 -161463.6022 -109434.3891 298.3466 -233.9224 -208.8008 763067.2257 -16.3709 -16.2569 PRESSURE: 3753000 8.19396 -182.874 -43.6058 -182.875 -193.133 -119.057 -43.6067 -119.056 -131.723 GPRESSURE: 3753000 33.8306 -21.4766 -52.5006 -175.099 -250.189 -59.2745 -134.939 -219.233 -8.467 PRESSAVG: 3753000 22.3689 -17.1212 50.7889 -17.1212 2.06385 -23.2063 50.7888 -23.2062 10.2014 GPRESSAVG: 3753000 21.2834 -18.4295 49.5768 -14.7651 2.60726 -24.6489 49.2163 -22.4195 10.7931 TIMING: 3753000 CPU: 11864.7, 0.0031695/step Wall: 11864.7, 0.0031695/step, 1.09788 hours remaining, 237.332031 MB of memory in use. ENERGY: 3753000 4008.9433 20308.6553 14460.6287 227.9707 -203380.2502 2482.5410 0.0000 0.0000 52279.2556 -109612.2555 300.4496 -161891.5111 -109243.4451 298.5449 -105.5540 -74.9418 760656.4528 11.5447 11.5613 PRESSURE: 3753200 -41.214 37.444 -201.611 37.4449 106.817 70.2092 -201.611 70.2092 231.214 GPRESSURE: 3753200 47.764 34.4946 -178.018 16.8965 111.171 122.796 -35.0182 -78.7181 222.758 PRESSAVG: 3753200 12.2476 11.3038 19.7537 11.3038 -2.26978 -41.4706 19.7537 -41.4706 7.44964 GPRESSAVG: 3753200 13.1556 12.2459 21.6717 9.68632 -3.07919 -41.4698 20.0646 -39.1782 7.18997 TIMING: 3753200 CPU: 11865.3, 0.00315433/step Wall: 11865.3, 0.00315433/step, 1.09245 hours remaining, 237.332031 MB of memory in use. ENERGY: 3753200 4000.2093 20469.6896 14477.6980 236.8747 -203512.8338 2691.5189 0.0000 0.0000 52093.8666 -109542.9768 299.3842 -161636.8433 -109180.0502 298.9724 98.9389 127.2309 760994.6909 5.8092 5.7555 PRESSURE: 3753400 77.2735 114.733 -136.269 114.733 -251.892 71.1545 -136.268 71.1545 -109.56 GPRESSURE: 3753400 71.1416 128.826 -86.0876 46.6389 -211.603 175.536 -192.985 4.31489 -65.6853 PRESSAVG: 3753400 17.3149 -48.5455 8.63081 -48.5456 -20.0449 1.93797 8.63082 1.93786 -1.80501 GPRESSAVG: 3753400 17.632 -48.6376 8.1466 -48.4182 -19.2061 2.82825 10.8163 1.56138 -2.34583 TIMING: 3753400 CPU: 11865.9, 0.00315935/step Wall: 11865.9, 0.00315935/step, 1.09401 hours remaining, 237.332031 MB of memory in use. ENERGY: 3753400 3956.8773 20441.7450 14541.7334 247.1624 -203712.9137 2737.4355 0.0000 0.0000 52150.4263 -109637.5337 299.7092 -161787.9601 -109283.3306 299.5434 -94.7262 -68.7155 761167.1311 -1.5117 -1.3066 PRESSURE: 3753600 -154.685 123.389 191.503 123.39 207.704 -74.6095 191.502 -74.609 76.878 GPRESSURE: 3753600 -113.711 57.9469 180.675 112.198 189.902 -21.1492 80.9482 -128.802 151.244 PRESSAVG: 3753600 -5.54622 -50.5928 8.3619 -50.5929 1.99892 1.74912 8.36189 1.74911 13.4882 GPRESSAVG: 3753600 -4.76239 -49.2316 6.88913 -50.4754 1.27015 1.41517 5.99894 0.573943 13.6804 TIMING: 3753600 CPU: 11866.6, 0.00318906/step Wall: 11866.6, 0.00318906/step, 1.10412 hours remaining, 237.332031 MB of memory in use. ENERGY: 3753600 4040.9008 20459.6355 14526.4295 251.4710 -203788.2972 2874.5325 0.0000 0.0000 51972.0372 -109663.2908 298.6840 -161635.3280 -109302.7719 299.1061 43.2991 75.8115 760821.4822 3.3136 3.3961 PRESSURE: 3753800 193.304 113.097 7.85277 113.097 46.5774 -2.77387 7.8526 -2.77387 373.208 GPRESSURE: 3753800 260.892 107.083 115.724 21.1208 64.2313 10.4711 104.9 5.17402 359.647 PRESSAVG: 3753800 37.568 -40.322 43.3269 -40.322 -1.99603 -63.2919 43.3269 -63.2919 8.84478 GPRESSAVG: 3753800 37.6021 -41.2628 45.04 -39.3558 -1.93303 -63.5305 42.568 -61.8455 8.67551 TIMING: 3753800 CPU: 11867.2, 0.0031696/step Wall: 11867.2, 0.0031696/step, 1.09721 hours remaining, 237.332031 MB of memory in use. ENERGY: 3753800 3933.1693 20426.9140 14531.1071 240.8105 -203836.0967 3040.8338 0.0000 0.0000 52064.4742 -109598.7878 299.2152 -161663.2620 -109229.2602 299.0616 204.3631 228.2567 762609.0670 14.8056 14.7815 PRESSURE: 3754000 -239.192 76.3477 -4.9357 76.3474 67.1712 -68.2557 -4.9355 -68.2546 149.586 GPRESSURE: 3754000 -267.281 153.739 -7.66341 101.515 120.206 -61.1519 -6.23634 -150.666 197.164 PRESSAVG: 3754000 2.71609 4.71006 38.0828 4.71008 38.311 -22.8292 38.0827 -22.8292 16.5105 GPRESSAVG: 3754000 2.2303 4.95851 36.6954 5.20127 37.443 -22.4631 40.7014 -23.5946 17.9895 TIMING: 3754000 CPU: 11867.8, 0.00318421/step Wall: 11867.8, 0.00318421/step, 1.10209 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3754000 4012.9766 20446.8582 14523.8686 233.0670 -203968.2976 2849.5765 0.0000 0.0000 52262.4707 -109639.4800 300.3531 -161901.9507 -109285.6317 299.2105 -7.4781 16.6965 762450.5473 19.1792 19.2209 PRESSURE: 3754200 165.477 -66.605 -170.023 -66.6056 139.871 -59.4283 -170.024 -59.4276 249.099 GPRESSURE: 3754200 191.32 -88.4938 -208.344 -124.156 223.503 -89.7435 -62.6063 46.1628 221.245 PRESSAVG: 3754200 -25.1562 -30.321 19.9462 -30.321 45.3031 -17.8479 19.9462 -17.8479 6.1057 GPRESSAVG: 3754200 -24.6934 -30.3188 20.4719 -29.9615 45.5439 -18.4763 18.5941 -15.8418 5.2713 TIMING: 3754200 CPU: 11868.5, 0.00319961/step Wall: 11868.5, 0.00319961/step, 1.10724 hours remaining, 237.332031 MB of memory in use. ENERGY: 3754200 4035.9386 20371.0207 14500.2732 234.7911 -203907.8797 3022.1619 0.0000 0.0000 52069.6194 -109674.0748 299.2448 -161743.6943 -109312.1632 299.3256 184.8157 212.0228 761885.5144 8.7509 8.7072 PRESSURE: 3754400 103.64 -122.115 -125.809 -122.115 -52.347 32.2701 -125.81 32.2701 -403.144 GPRESSURE: 3754400 116.988 -97.3845 -171.472 -89.5263 -50.1721 131.483 -75.7148 -40.6793 -336.581 PRESSAVG: 3754400 -15.4901 -62.6344 58.8804 -62.6344 13.2505 2.81896 58.8804 2.81891 -18.6036 GPRESSAVG: 3754400 -14.9778 -61.4361 59.5708 -65.6053 12.9177 1.04962 58.5819 1.09866 -18.9706 TIMING: 3754400 CPU: 11869.1, 0.00319791/step Wall: 11869.1, 0.00319791/step, 1.10648 hours remaining, 237.332031 MB of memory in use. ENERGY: 3754400 4079.3249 20648.7758 14484.8034 227.7792 -202964.5515 2347.2318 0.0000 0.0000 51716.8200 -109459.8163 297.2173 -161176.6364 -109104.4016 299.0841 -117.2836 -89.9217 762111.3395 -6.9477 -7.0102 PRESSURE: 3754600 16.3497 92.6837 183.554 92.6841 237.53 -27.235 183.555 -27.2354 752.707 GPRESSURE: 3754600 -10.9099 177.034 219.354 87.0512 344.795 -135.01 117.439 11.7967 747.82 PRESSAVG: 3754600 -41.2779 -6.75462 9.35926 -6.75462 25.866 10.9239 9.35929 10.9238 7.67537 GPRESSAVG: 3754600 -42.3834 -8.71067 9.80521 -7.15571 26.1632 12.7951 8.67879 10.4602 8.63442 TIMING: 3754600 CPU: 11869.8, 0.00319213/step Wall: 11869.8, 0.00319212/step, 1.1043 hours remaining, 237.332031 MB of memory in use. ENERGY: 3754600 3884.5405 20427.9410 14489.0848 245.7913 -203348.3467 2691.4249 0.0000 0.0000 52335.7180 -109273.8462 300.7741 -161609.5642 -108912.8927 299.6684 335.5289 360.5683 761976.0110 -2.5788 -2.5286 PRESSURE: 3754800 -96.6496 -35.3782 -41.8191 -35.3774 -81.9382 -61.5014 -41.8191 -61.5007 72.9202 GPRESSURE: 3754800 -91.776 -72.5235 -83.6295 90.0014 -13.2457 -159.352 0.434623 -20.2494 78.7916 PRESSAVG: 3754800 -18.6474 -40.5908 7.82119 -40.5909 39.8179 -15.685 7.82118 -15.6851 -6.79648 GPRESSAVG: 3754800 -18.8379 -41.1519 8.77216 -38.0938 40.1187 -15.4588 5.87408 -14.214 -7.40561 TIMING: 3754800 CPU: 11870.4, 0.00319357/step Wall: 11870.4, 0.00319357/step, 1.10462 hours remaining, 237.332031 MB of memory in use. ENERGY: 3754800 3998.8123 20461.4630 14518.1095 257.0878 -203262.4245 2612.9391 0.0000 0.0000 52188.0502 -109225.9626 299.9254 -161414.0128 -108865.6436 299.7071 -35.2225 -8.7434 761541.7738 4.7913 4.6251 PRESSURE: 3755000 -295.47 -95.119 -79.3869 -95.1186 234.725 57.3061 -79.3868 57.3066 217.959 GPRESSURE: 3755000 -145.128 -102.243 -129.661 37.1478 230.296 32.1175 -86.6899 53.9903 161.463 PRESSAVG: 3755000 -23.6993 -79.9756 10.4411 -79.9756 8.55735 21.8135 10.4411 21.8135 -37.878 GPRESSAVG: 3755000 -22.458 -78.1046 8.76008 -79.0933 7.48266 20.086 12.7733 21.638 -37.9742 TIMING: 3755000 CPU: 11871, 0.00317451/step Wall: 11871, 0.00317451/step, 1.09785 hours remaining, 237.332031 MB of memory in use. ENERGY: 3755000 3982.3599 20527.0951 14463.9747 232.8637 -203125.0276 2599.9809 0.0000 0.0000 52003.8356 -109314.9177 298.8668 -161318.7533 -108956.2646 299.7643 52.4048 82.2105 762236.0275 -17.6733 -17.6499 PRESSURE: 3755200 -62.9802 84.8435 127.516 84.8425 536.607 -56.5555 127.515 -56.5549 -20.1552 GPRESSURE: 3755200 128.487 59.8402 118.93 62.1446 446.002 -78.323 -18.802 19.6404 -32.2894 PRESSAVG: 3755200 43.2125 -23.9127 0.534007 -23.9126 -12.2163 -43.5664 0.533967 -43.5664 9.27596 GPRESSAVG: 3755200 43.4464 -24.9242 -0.372545 -25.9366 -11.3405 -43.1948 -0.410874 -44.0934 8.48039 TIMING: 3755200 CPU: 11871.7, 0.00316197/step Wall: 11871.7, 0.00316197/step, 1.09334 hours remaining, 237.332031 MB of memory in use. ENERGY: 3755200 4079.9982 20550.6395 14377.2275 248.2662 -203639.0250 2769.4484 0.0000 0.0000 52101.6806 -109511.7646 299.4291 -161613.4452 -109161.8478 299.7238 151.1573 180.7333 759864.2958 13.4241 13.5288 PRESSURE: 3755400 -313.196 -157.566 140.904 -157.566 -122.703 65.4339 140.904 65.4349 -188.384 GPRESSURE: 3755400 -299.804 -151.425 197.331 -124.984 -27.1307 59.9639 155.01 117.128 -239.543 PRESSAVG: 3755400 -25.5525 -41.4379 23.7639 -41.4379 -5.84712 -10.5493 23.7639 -10.5494 -5.12309 GPRESSAVG: 3755400 -25.5599 -40.5462 24.5258 -41.2304 -6.22692 -9.62587 25.4971 -10.2556 -4.30878 TIMING: 3755400 CPU: 11872.3, 0.00317129/step Wall: 11872.3, 0.00317129/step, 1.09639 hours remaining, 237.332031 MB of memory in use. ENERGY: 3755400 3987.7884 20572.7220 14450.1186 266.8256 -203028.0515 2208.4911 0.0000 0.0000 51983.3849 -109558.7209 298.7492 -161542.1058 -109192.5137 299.2815 -208.0943 -188.8259 761438.9025 -12.1742 -12.0319 PRESSURE: 3755600 -284.608 167.26 -51.405 167.261 -334.956 132.891 -51.4051 132.891 -90.8342 GPRESSURE: 3755600 -276.853 183.845 -64.3011 200.339 -363.123 98.8823 20.7317 59.0669 5.45027 PRESSAVG: 3755600 -39.3347 -45.8468 9.94323 -45.8468 18.9074 3.64983 9.94326 3.64982 -17.5769 GPRESSAVG: 3755600 -38.834 -44.162 10.4412 -46.7501 19.0007 2.50979 9.34975 2.7488 -17.9582 TIMING: 3755600 CPU: 11872.9, 0.00315831/step Wall: 11872.9, 0.00315831/step, 1.09172 hours remaining, 237.332031 MB of memory in use. ENERGY: 3755600 4029.4213 20554.9238 14416.7777 236.7088 -203341.0181 2610.0143 0.0000 0.0000 52085.6010 -109407.5712 299.3367 -161493.1722 -109041.1992 299.5182 -236.7994 -211.5085 762448.1176 -12.6681 -12.5972 PRESSURE: 3755800 -265.306 -278.266 27.6778 -278.266 184.343 -326.468 27.6766 -326.468 -278.052 GPRESSURE: 3755800 -205.114 -254.566 47.7288 -72.7467 155.597 -365.029 80.7584 -98.9253 -241.812 PRESSAVG: 3755800 55.4357 14.6561 21.497 14.6562 -53.0362 4.40035 21.497 4.40038 -13.9046 GPRESSAVG: 3755800 54.7169 12.8085 21.7006 17.6412 -53.4556 3.86076 18.9969 5.25222 -12.7415 TIMING: 3755800 CPU: 11873.6, 0.00317395/step Wall: 11873.6, 0.00317395/step, 1.09695 hours remaining, 237.332031 MB of memory in use. ENERGY: 3755800 3965.3481 20464.4892 14436.5431 243.6716 -203399.9615 2585.5900 0.0000 0.0000 52190.6070 -109513.7125 299.9401 -161704.3195 -109154.6543 299.7112 -119.6715 -97.1094 761567.2672 -3.8350 -3.8267 PRESSURE: 3756000 -419.533 -226.724 190.878 -226.723 -56.3476 -55.5969 190.879 -55.5963 -138.117 GPRESSURE: 3756000 -316.494 -262.24 133.112 -227.868 -121.361 30.0596 272.971 -132.787 -82.3247 PRESSAVG: 3756000 -97.7093 -41.2294 -6.88145 -41.2294 42.1749 -34.6275 -6.88147 -34.6276 11.8957 GPRESSAVG: 3756000 -97.0694 -40.4227 -8.05637 -43.0716 42.2932 -33.3224 -3.25012 -35.0035 10.9219 TIMING: 3756000 CPU: 11874.2, 0.00317772/step Wall: 11874.2, 0.00317772/step, 1.09808 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3756000 4115.2829 20441.9294 14468.2293 258.6138 -203291.5806 2441.7157 0.0000 0.0000 52184.8901 -109380.9193 299.9073 -161565.8094 -109012.7154 299.5174 -204.6659 -173.3930 760459.6859 -14.5462 -14.6181 PRESSURE: 3756200 -195.698 16.2091 234.79 16.2092 288.068 79.337 234.79 79.3377 202.131 GPRESSURE: 3756200 -174.921 33.9194 263.735 -44.2292 298.125 142.119 158.958 43.1182 236.159 PRESSAVG: 3756200 -47.2306 -42.465 28.0847 -42.4649 32.3468 -5.61227 28.0847 -5.61222 12.1041 GPRESSAVG: 3756200 -48.4625 -42.5645 30.1917 -41.5784 33.3438 -6.93484 26.4267 -5.39651 11.9942 TIMING: 3756200 CPU: 11874.8, 0.00318272/step Wall: 11874.8, 0.00318272/step, 1.09963 hours remaining, 237.332031 MB of memory in use. ENERGY: 3756200 4016.9460 20501.6974 14486.5296 231.4038 -203644.5958 2703.7361 0.0000 0.0000 52150.9614 -109553.3214 299.7123 -161704.2828 -109202.5981 299.6014 98.1673 119.7875 761847.4489 -0.9266 -1.0415 LDB: ============= START OF LOAD BALANCING ============== 11887.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11887.2 LDB: =============== DONE WITH MIGRATION ================ 11887.2 LDB: ============= START OF LOAD BALANCING ============== 11887.6 LDB: Largest compute 7037 load 0.031667 is 16.1% of average load 0.196084 LDB: Average compute 0.004358 is 2.2% of average load 0.196084 LDB: TIME 11887.6 LOAD: AVG 0.196084 MAX 0.216349 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 11887.6 LOAD: AVG 0.196084 MAX 0.216349 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 11887.6 LOAD: AVG 0.196084 MAX 0.216349 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 11887.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11887.6 PRESSURE: 3756400 -208.179 -156.843 207.119 -156.843 -212.633 -40.0377 207.119 -40.0368 -200.011 GPRESSURE: 3756400 -170.083 -156.26 172.89 -97.1308 -226.425 24.7736 245.828 -29.3667 -152.624 PRESSAVG: 3756400 27.2294 -1.03892 25.035 -1.03889 -15.9884 6.84377 25.035 6.84386 -9.75582 GPRESSAVG: 3756400 28.5479 -0.872477 23.9607 -1.41678 -17.9979 8.22385 25.7231 5.49369 -8.78885 TIMING: 3756400 CPU: 11875.5, 0.00324494/step Wall: 11875.5, 0.00324494/step, 1.12095 hours remaining, 238.613281 MB of memory in use. ENERGY: 3756400 4020.8810 20435.0592 14500.2148 265.0590 -203354.7262 2655.0144 0.0000 0.0000 52021.5870 -109456.9108 298.9688 -161478.4978 -109095.6285 299.3881 -206.9410 -183.0444 762797.1962 0.4951 0.5871 PRESSURE: 3756600 -4.53596 57.8856 -143.65 57.8852 -330.966 -66.0697 -143.65 -66.0687 -142.23 GPRESSURE: 3756600 6.36693 19.1348 -93.2597 13.2221 -304.888 -49.8263 -102.229 -59.2713 -99.5768 PRESSAVG: 3756600 2.22705 -37.81 14.0494 -37.81 -32.1547 30.8094 14.0494 30.8094 -7.31129 GPRESSAVG: 3756600 1.94766 -37.7677 16.0061 -37.1849 -31.4545 29.976 12.4808 31.5514 -8.42827 TIMING: 3756600 CPU: 11876.1, 0.0031702/step Wall: 11876.1, 0.0031702/step, 1.09495 hours remaining, 238.816406 MB of memory in use. ENERGY: 3756600 3950.9910 20589.6939 14501.6119 246.7318 -203256.6979 2474.9350 0.0000 0.0000 52105.1116 -109387.6227 299.4488 -161492.7343 -109018.5380 299.2316 -159.2441 -132.6992 762563.8215 -12.4130 -12.6450 PRESSURE: 3756800 89.0649 -87.3725 -247.54 -87.3724 -232.747 -78.7955 -247.539 -78.7956 -230.254 GPRESSURE: 3756800 153.888 -96.9837 -271.408 -103.013 -144.708 -111.962 -285.273 5.7854 -302.272 PRESSAVG: 3756800 16.7524 -33.4394 -23.4481 -33.4395 -10.5705 -25.6191 -23.4481 -25.6192 -0.406769 GPRESSAVG: 3756800 17.2146 -31.2019 -23.811 -34.0889 -11.2895 -24.0927 -22.5243 -24.639 -0.488521 TIMING: 3756800 CPU: 11876.7, 0.00316249/step Wall: 11876.7, 0.00316249/step, 1.09211 hours remaining, 238.816406 MB of memory in use. ENERGY: 3756800 4012.8529 20545.4376 14409.9382 252.9892 -203398.9254 2538.5733 0.0000 0.0000 52418.1341 -109221.0003 301.2477 -161639.1343 -108854.6003 299.6181 -124.6454 -97.6972 763444.5411 1.9251 1.8122 PRESSURE: 3757000 -224.412 84.4582 -161.033 84.4578 120.06 30.4449 -161.035 30.4448 -65.8126 GPRESSURE: 3757000 -113.599 116.542 -173.428 108.202 84.3169 13.4031 -300.368 -69.8505 -64.6399 PRESSAVG: 3757000 6.98049 17.8533 46.3797 17.8533 21.9803 -4.83392 46.3796 -4.83385 15.8807 GPRESSAVG: 3757000 6.46976 14.6553 44.8203 19.4744 21.0822 -4.33514 46.2319 -5.26483 16.4529 TIMING: 3757000 CPU: 11877.4, 0.00315068/step Wall: 11877.4, 0.00315068/step, 1.08786 hours remaining, 238.816406 MB of memory in use. ENERGY: 3757000 4039.2864 20578.1807 14470.3119 228.5364 -203225.2377 2420.9914 0.0000 0.0000 52119.6207 -109368.3102 299.5322 -161487.9309 -109019.8358 299.6905 -56.7216 -31.3073 762624.7516 14.9472 14.6683 PRESSURE: 3757200 222.591 183.029 126.404 183.029 -83.7745 58.8508 126.403 58.8513 123.534 GPRESSURE: 3757200 265.458 139.749 135.686 81.2294 -168.719 90.4039 122.114 90.0627 213.25 PRESSAVG: 3757200 43.7709 3.70514 5.76294 3.70514 -21.7542 23.8255 5.76289 23.8254 -24.7764 GPRESSAVG: 3757200 41.8692 5.60614 4.20481 2.25935 -20.5233 22.2383 5.63471 22.2873 -23.9883 TIMING: 3757200 CPU: 11878, 0.00319262/step Wall: 11878, 0.00319262/step, 1.10216 hours remaining, 238.816406 MB of memory in use. ENERGY: 3757200 4047.9739 20415.8451 14515.2119 241.7337 -203790.4078 3095.7529 0.0000 0.0000 52169.8665 -109304.0238 299.8209 -161473.8903 -108936.0222 299.6548 87.4501 103.3299 762544.6199 -0.9199 -0.8808 PRESSURE: 3757400 -134.68 -275.965 -96.1428 -275.965 -498.595 -61.1122 -96.1432 -61.1118 -365.249 GPRESSURE: 3757400 -112.836 -138.849 -150.399 -301.864 -451.201 -56.1046 -95.5592 -75.6344 -347.246 PRESSAVG: 3757400 121.336 33.8421 10.2092 33.8421 -104.43 -43.8281 10.2092 -43.8281 -21.8407 GPRESSAVG: 3757400 121.302 31.254 10.6728 33.6649 -104.534 -46.0883 11.1473 -42.1532 -21.4671 TIMING: 3757400 CPU: 11878.7, 0.00323251/step Wall: 11878.7, 0.00323251/step, 1.11576 hours remaining, 238.816406 MB of memory in use. ENERGY: 3757400 4061.6213 20372.3495 14477.2703 249.8435 -202959.4424 2465.3348 0.0000 0.0000 52155.2185 -109177.8045 299.7368 -161333.0230 -108812.9316 299.9959 -332.8413 -303.7613 764851.4974 -1.6451 -1.5664 PRESSURE: 3757600 -242.892 32.7063 116.834 32.706 -237.276 328.144 116.833 328.145 -164.784 GPRESSURE: 3757600 -159.204 -46.8476 155.207 16.8503 -274.792 339.852 129.677 331.635 -120.06 PRESSAVG: 3757600 -14.9413 -29.8529 57.1558 -29.8529 0.94981 -65.567 57.1558 -65.5669 48.8212 GPRESSAVG: 3757600 -15.0478 -29.0956 58.2654 -30.6055 1.7216 -64.6291 58.0438 -66.8768 47.7185 TIMING: 3757600 CPU: 11879.3, 0.00320401/step Wall: 11879.3, 0.00320401/step, 1.10574 hours remaining, 238.816406 MB of memory in use. ENERGY: 3757600 4018.0062 20508.1810 14470.6078 273.4708 -203112.2833 2314.0136 0.0000 0.0000 52218.8212 -109309.1827 300.1023 -161528.0039 -108950.8422 299.6773 -214.9839 -184.6855 762353.9703 11.6099 11.4641 PRESSURE: 3757800 -56.873 23.2258 -105.564 23.2261 -51.8013 -95.9838 -105.565 -95.9845 -128.727 GPRESSURE: 3757800 -96.8158 111.15 -45.4078 -47.6348 78.4193 -184.726 -103.994 -76.4429 -129.562 PRESSAVG: 3757800 -15.6132 -39.1218 33.3744 -39.1219 -1.39811 -13.6619 33.3744 -13.6619 16.8167 GPRESSAVG: 3757800 -14.12 -38.8914 32.3554 -38.1222 -1.58754 -13.4755 32.7662 -12.0054 15.5659 TIMING: 3757800 CPU: 11879.9, 0.00320575/step Wall: 11879.9, 0.00320575/step, 1.10616 hours remaining, 238.816406 MB of memory in use. ENERGY: 3757800 3987.0441 20601.7785 14485.6948 248.2836 -203304.9709 2660.1565 0.0000 0.0000 51911.6726 -109410.3408 298.3371 -161322.0134 -109050.7747 299.3402 -79.1337 -49.3194 763104.0773 -0.0649 -0.0472 PRESSURE: 3758000 -554.337 -122.989 -69.8161 -122.989 -228.627 -70.2747 -69.8162 -70.2752 -79.4119 GPRESSURE: 3758000 -506.466 -159.844 -3.90446 -130.298 -245.368 24.2964 -218.069 -197.418 -22.9376 PRESSAVG: 3758000 12.311 -38.1292 -50.8303 -38.1291 3.3212 -27.842 -50.8303 -27.8419 -8.12295 GPRESSAVG: 3758000 10.3529 -36.8741 -50.6147 -38.6224 3.29443 -25.5008 -50.8811 -28.3559 -6.6859 TIMING: 3758000 CPU: 11880.6, 0.0031897/step Wall: 11880.6, 0.0031897/step, 1.10045 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3758000 3962.6213 20594.2671 14394.8917 221.9722 -203250.1724 2316.5522 0.0000 0.0000 51938.7197 -109821.1483 298.4925 -161759.8679 -109460.7404 298.5988 -287.4585 -258.2571 762864.0284 2.5031 2.3205 PRESSURE: 3758200 -184.031 -25.0558 236.44 -25.0553 170.267 300.564 236.44 300.565 317.712 GPRESSURE: 3758200 -51.1895 -27.2835 195.099 -0.949477 72.5064 330.106 152.659 184.549 366.169 PRESSAVG: 3758200 9.13308 -24.1593 24.5323 -24.1593 0.360644 2.72769 24.5323 2.72766 18.3351 GPRESSAVG: 3758200 10.7636 -26.8156 24.7698 -23.8073 -0.0935569 1.92865 24.7069 2.73029 17.2225 TIMING: 3758200 CPU: 11881.2, 0.00317824/step Wall: 11881.2, 0.00317823/step, 1.09631 hours remaining, 238.816406 MB of memory in use. ENERGY: 3758200 3948.0735 20333.8655 14522.1673 245.2073 -203674.4443 2620.3044 0.0000 0.0000 52291.8575 -109712.9688 300.5220 -162004.8263 -109350.4882 298.8068 101.3159 129.1618 760691.2160 9.2763 9.2975 PRESSURE: 3758400 69.8837 26.0909 -286.774 26.0916 -278.134 214.285 -286.774 214.285 -114.649 GPRESSURE: 3758400 104.671 -59.4162 -245.563 -13.3379 -298.396 177.945 -288.977 372.835 -46.8217 PRESSAVG: 3758400 19.6014 -46.8875 -0.355942 -46.8874 -23.0329 18.277 -0.355986 18.2769 3.74509 GPRESSAVG: 3758400 19.2899 -45.0451 0.23587 -48.1737 -23.467 17.0735 -2.22433 16.9507 4.86294 TIMING: 3758400 CPU: 11881.9, 0.00317758/step Wall: 11881.9, 0.00317758/step, 1.09591 hours remaining, 238.816406 MB of memory in use. ENERGY: 3758400 4021.8897 20725.5087 14478.3596 246.2072 -203356.7288 2751.9165 0.0000 0.0000 51747.9730 -109384.8740 297.3963 -161132.8471 -109025.1523 299.4707 -107.6329 -80.1822 761408.6872 0.1045 0.2286 PRESSURE: 3758600 -132.808 62.3019 -124.667 62.3024 -80.1812 18.6286 -124.666 18.629 -161.963 GPRESSURE: 3758600 -97.8043 79.9909 -158.562 34.1121 -46.0513 -27.7581 -225.94 105.898 -138.615 PRESSAVG: 3758600 -26.3439 26.4054 -10.4994 26.4053 19.8366 12.2978 -10.4994 12.2977 -36.9987 GPRESSAVG: 3758600 -25.8523 26.1878 -11.0264 27.7985 19.4107 12.411 -8.65069 14.7872 -36.8571 TIMING: 3758600 CPU: 11882.5, 0.00316319/step Wall: 11882.5, 0.00316319/step, 1.09077 hours remaining, 238.816406 MB of memory in use. ENERGY: 3758600 3962.4891 20465.9692 14418.9768 238.0506 -202965.2477 2270.5217 0.0000 0.0000 52289.4971 -109319.7433 300.5085 -161609.2404 -108958.6904 300.1354 -124.9841 -94.1568 761982.5600 -14.5020 -14.4329 PRESSURE: 3758800 385.245 59.7281 26.542 59.7282 -139.384 133.88 26.5427 133.881 -118.102 GPRESSURE: 3758800 276.978 142.495 60.5571 101.78 44.7683 43.5281 -56.2179 188.667 -104.24 PRESSAVG: 3758800 24.8121 31.6389 -22.6231 31.6388 8.29698 75.354 -22.6231 75.3541 -2.3945 GPRESSAVG: 3758800 24.9453 31.1337 -21.7347 31.647 9.945 76.3174 -22.2052 72.9319 -3.62139 TIMING: 3758800 CPU: 11883.1, 0.00318296/step Wall: 11883.1, 0.00318296/step, 1.09742 hours remaining, 238.816406 MB of memory in use. ENERGY: 3758800 4065.5721 20555.6903 14404.3694 251.5386 -203549.4890 2628.1182 0.0000 0.0000 52163.1680 -109481.0323 299.7824 -161644.2004 -109122.2587 299.3115 42.5866 72.5019 761123.6609 10.2382 10.4230 PRESSURE: 3759000 -117.011 -50.6785 349.13 -50.6788 -4.36339 -148.545 349.129 -148.544 -75.6542 GPRESSURE: 3759000 -101.308 48.4168 229.598 -84.2976 -22.6938 -226.219 265.947 -100.376 -8.75516 PRESSAVG: 3759000 20.3387 39.1606 -11.2094 39.1607 -46.4151 34.5899 -11.2094 34.5899 11.8516 GPRESSAVG: 3759000 18.8163 38.4637 -11.0513 38.7995 -45.8544 33.5037 -12.1618 36.3264 12.808 TIMING: 3759000 CPU: 11883.8, 0.00315811/step Wall: 11883.8, 0.00315811/step, 1.08867 hours remaining, 238.816406 MB of memory in use. ENERGY: 3759000 3971.2718 20595.6327 14473.4794 244.7685 -203074.6856 2157.6245 0.0000 0.0000 51929.7922 -109702.1165 298.4412 -161631.9087 -109344.3575 299.3601 -65.6762 -44.2522 761157.1378 -4.7416 -4.7434 PRESSURE: 3759200 -127.664 291.155 -109.845 291.155 255.183 -141.606 -109.845 -141.606 -241.933 GPRESSURE: 3759200 -93.424 315.745 -103.957 152.489 206.623 -204.618 -95.8271 -66.5372 -153.22 PRESSAVG: 3759200 -2.82674 41.2548 -0.36611 41.2547 0.0858671 43.0857 -0.366099 43.0857 14.9093 GPRESSAVG: 3759200 -1.60929 41.4937 -2.16737 41.7699 -0.957681 43.2922 -2.03877 43.9078 14.9086 TIMING: 3759200 CPU: 11884.4, 0.0031428/step Wall: 11884.4, 0.0031428/step, 1.08322 hours remaining, 238.816406 MB of memory in use. ENERGY: 3759200 4046.0855 20522.0950 14470.8286 244.7157 -203554.4417 2413.7244 0.0000 0.0000 52286.1046 -109570.8879 300.4890 -161856.9925 -109207.6630 299.4265 -38.1379 -13.3405 759888.1931 4.0561 4.1139 PRESSURE: 3759400 8.68967 87.0095 139.721 87.0092 -2.89298 231.812 139.72 231.811 -53.4662 GPRESSURE: 3759400 67.3735 -32.388 124.8 111.263 11.5267 129.235 98.513 149.176 -23.935 PRESSAVG: 3759400 23.0278 15.6115 -10.64 15.6115 34.9196 -30.2921 -10.64 -30.2921 -8.5233 GPRESSAVG: 3759400 22.221 14.8873 -9.63273 16.6866 35.9208 -29.8249 -10.0274 -31.4157 -8.84615 TIMING: 3759400 CPU: 11885, 0.00316588/step Wall: 11885, 0.00316588/step, 1.091 hours remaining, 238.816406 MB of memory in use. ENERGY: 3759400 3988.7177 20518.6735 14395.6292 243.5941 -203236.1357 2467.9974 0.0000 0.0000 52238.7802 -109382.7436 300.2170 -161621.5238 -109019.1523 299.8582 -15.8898 18.3217 759659.8996 16.4747 16.4319 PRESSURE: 3759600 51.1651 -77.8891 54.575 -77.8889 -139.797 -162.83 54.5759 -162.83 -304.624 GPRESSURE: 3759600 -16.5638 -64.3099 -3.90864 -135.429 -5.07766 -176.985 104.763 -44.6201 -309.968 PRESSAVG: 3759600 7.32787 37.4672 21.5102 37.4672 10.1909 37.9772 21.5103 37.9771 -0.435906 GPRESSAVG: 3759600 7.21668 39.0181 21.4341 35.2376 9.89499 37.6627 21.7476 37.29 -0.327634 TIMING: 3759600 CPU: 11885.6, 0.00314039/step Wall: 11885.6, 0.00314039/step, 1.08204 hours remaining, 238.816406 MB of memory in use. ENERGY: 3759600 3995.2216 20493.1382 14364.5240 238.1828 -203409.1762 2587.7404 0.0000 0.0000 52202.5597 -109527.8096 300.0088 -161730.3693 -109162.8124 299.9296 -131.0855 -110.5364 762008.5658 5.6943 5.5947 PRESSURE: 3759800 -133.055 -110.962 16.1119 -110.962 92.4648 153.327 16.112 153.327 151.972 GPRESSURE: 3759800 -27.2874 -103.788 -80.4471 -134.508 23.3378 52.791 2.5447 186.036 189.676 PRESSAVG: 3759800 -12.611 -27.2283 20.8125 -27.2283 -9.36611 -23.0581 20.8125 -23.058 -33.7836 GPRESSAVG: 3759800 -11.8905 -27.0472 20.2466 -26.0116 -9.39289 -23.6514 21.8949 -22.088 -34.4336 TIMING: 3759800 CPU: 11886.3, 0.00317289/step Wall: 11886.3, 0.00317289/step, 1.09306 hours remaining, 238.816406 MB of memory in use. ENERGY: 3759800 3953.7540 20564.1020 14417.1690 241.6637 -203621.9940 2533.1377 0.0000 0.0000 52121.8453 -109790.3223 299.5450 -161912.1675 -109414.1334 299.4482 37.1273 61.9090 761764.6534 -18.5869 -18.5723 PRESSURE: 3760000 89.924 -101.907 -84.4148 -101.907 176.247 -38.8361 -84.4157 -38.8353 633.122 GPRESSURE: 3760000 164.192 -118.994 -24.2874 26.0778 186.416 -13.4802 -34.9839 31.2101 622.089 PRESSAVG: 3760000 -25.9609 -2.75251 2.18339 -2.75253 4.10726 -16.6043 2.18333 -16.6042 22.1877 GPRESSAVG: 3760000 -26.5944 -3.06273 1.34448 -1.0546 3.25806 -16.0995 2.83046 -17.9104 23.2646 TIMING: 3760000 CPU: 11886.9, 0.00315398/step Wall: 11886.9, 0.00315398/step, 1.08637 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3760000 4006.0593 20460.1262 14459.1025 243.2891 -203688.4126 2689.0843 0.0000 0.0000 51976.1391 -109854.6122 298.7076 -161830.7513 -109487.5451 298.8760 299.7644 324.2325 760698.2564 0.1114 -0.0239 PRESSURE: 3760200 -128.783 -0.723825 55.8223 -0.724467 -12.6851 -22.0808 55.8217 -22.0806 -256.861 GPRESSURE: 3760200 -103.286 -28.6188 -10.8003 -82.0097 52.9782 -62.6559 -89.5425 -141.926 -289.192 PRESSAVG: 3760200 35.3884 -22.776 49.4263 -22.776 -4.79732 -26.0669 49.4263 -26.0668 -9.00038 GPRESSAVG: 3760200 34.0131 -23.5582 51.0328 -24.7408 -3.9078 -25.0693 48.5133 -23.9881 -8.80088 TIMING: 3760200 CPU: 11887.5, 0.00315926/step Wall: 11887.5, 0.00315926/step, 1.08801 hours remaining, 238.816406 MB of memory in use. ENERGY: 3760200 4022.6126 20413.6143 14400.9887 241.5659 -203455.8921 2587.3014 0.0000 0.0000 52117.1987 -109672.6104 299.5183 -161789.8091 -109305.8407 298.8287 -132.7765 -113.1668 762736.9799 7.1969 7.1015 LDB: ============= START OF LOAD BALANCING ============== 11899.9 LDB: ============== END OF LOAD BALANCING =============== 11899.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11899.9 LDB: ============= START OF LOAD BALANCING ============== 11900.3 LDB: Largest compute 7033 load 0.032880 is 16.8% of average load 0.196147 LDB: Average compute 0.004382 is 2.2% of average load 0.196147 LDB: TIME 11900.3 LOAD: AVG 0.196147 MAX 0.216586 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.684 MB LDB: TIME 11900.3 LOAD: AVG 0.196147 MAX 0.216586 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 11900.3 LOAD: AVG 0.196147 MAX 0.216586 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 11900.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11900.3 PRESSURE: 3760400 92.9813 -43.6725 -10.8206 -43.673 54.5734 -8.59728 -10.8204 -8.59682 -219.767 GPRESSURE: 3760400 138.699 128.643 56.8545 -224.33 64.562 78.6494 -65.8723 -42.5565 -192.419 PRESSAVG: 3760400 3.95919 22.0639 39.9076 22.0638 -0.268416 40.9238 39.9075 40.9238 -28.7895 GPRESSAVG: 3760400 4.96517 22.9382 39.4556 21.0689 -0.502006 40.3353 39.1031 40.2002 -29.3026 TIMING: 3760400 CPU: 11888.2, 0.0032643/step Wall: 11888.2, 0.0032643/step, 1.12401 hours remaining, 237.843750 MB of memory in use. ENERGY: 3760400 3966.6495 20592.5774 14363.4002 231.9517 -203433.8610 2521.0892 0.0000 0.0000 52028.8716 -109729.3215 299.0106 -161758.1931 -109378.9983 299.1335 -24.0709 3.6140 761484.2670 -8.3662 -8.2798 PRESSURE: 3760600 45.0029 204.401 -64.2524 204.401 29.256 23.8885 -64.2534 23.8887 535.296 GPRESSURE: 3760600 12.5472 196.809 -74.7762 298.63 132.515 -76.3941 -41.9341 45.739 558.379 PRESSAVG: 3760600 -17.4867 0.974608 33.8147 0.974663 27.0948 53.6721 33.8147 53.6721 -4.28104 GPRESSAVG: 3760600 -16.4946 0.806364 32.701 2.93143 26.4124 51.5645 34.0644 53.4243 -4.36603 TIMING: 3760600 CPU: 11888.8, 0.00317557/step Wall: 11888.8, 0.00317557/step, 1.09328 hours remaining, 238.046875 MB of memory in use. ENERGY: 3760600 3955.2888 20254.1549 14414.2336 242.9726 -203643.7288 2734.9529 0.0000 0.0000 52286.8924 -109755.2338 300.4935 -162042.1261 -109387.0058 298.3521 203.1851 234.4805 760918.5637 1.7757 1.8506 PRESSURE: 3760800 -476.499 -75.6192 -60.3928 -75.6196 -72.1427 139.063 -60.3931 139.063 122.185 GPRESSURE: 3760800 -402.598 -111.664 -18.12 -37.7326 -1.91189 19.726 -64.5161 209.856 68.5947 PRESSAVG: 3760800 51.1909 19.2386 -35.1605 19.2386 -40.894 -4.87567 -35.1605 -4.87569 -14.0294 GPRESSAVG: 3760800 51.2768 21.0655 -35.8643 19.8643 -41.058 -1.71009 -35.6684 -4.83055 -13.6489 TIMING: 3760800 CPU: 11889.5, 0.00316714/step Wall: 11889.5, 0.00316714/step, 1.0902 hours remaining, 238.046875 MB of memory in use. ENERGY: 3760800 3979.9999 20598.0372 14431.8957 235.7118 -203128.9873 2350.6511 0.0000 0.0000 51940.8492 -109591.8424 298.5048 -161532.6916 -109229.5643 299.2564 -142.1522 -111.9716 762632.1668 -1.2442 -1.1434 PRESSURE: 3761000 -14.7233 64.6601 44.4792 64.6599 -446.546 105.587 44.4798 105.587 -11.7629 GPRESSURE: 3761000 -101.665 -17.2625 -52.4498 103.541 -286.339 87.2789 83.941 46.6871 3.85232 PRESSAVG: 3761000 0.110544 39.2657 -19.0392 39.2657 -30.2977 -16.6539 -19.0392 -16.6539 6.0837 GPRESSAVG: 3761000 -0.126715 37.4497 -17.2308 37.306 -29.9561 -15.9286 -19.5373 -18.5943 5.29421 TIMING: 3761000 CPU: 11890.1, 0.00316152/step Wall: 11890.1, 0.00316152/step, 1.08809 hours remaining, 238.046875 MB of memory in use. ENERGY: 3761000 3974.8824 20585.3655 14385.7501 243.0601 -203290.2484 2471.6280 0.0000 0.0000 51844.7640 -109784.7983 297.9526 -161629.5623 -109413.9239 299.3969 -157.6775 -128.0507 762482.2820 -8.0345 -8.2629 PRESSURE: 3761200 -358.073 -17.9112 181.146 -17.9117 230.089 234.409 181.147 234.409 -61.4427 GPRESSURE: 3761200 -400.987 -34.4708 208.702 69.7259 315.67 161.071 275.681 214.125 -0.647609 PRESSAVG: 3761200 30.2209 0.0453335 38.1127 0.0453034 24.0055 23.111 38.1128 23.111 -19.7629 GPRESSAVG: 3761200 30.4394 0.22204 36.0373 0.754005 23.964 22.0021 41.0789 24.8872 -20.1465 TIMING: 3761200 CPU: 11890.7, 0.00316589/step Wall: 11890.7, 0.00316589/step, 1.08942 hours remaining, 238.046875 MB of memory in use. ENERGY: 3761200 3994.9019 20409.0081 14437.5550 249.8927 -203730.4792 2919.1531 0.0000 0.0000 52016.6188 -109703.3496 298.9402 -161719.9684 -109331.3070 298.6629 -63.1421 -28.6550 763762.7562 11.4878 11.4190 PRESSURE: 3761400 -205.781 66.2595 -50.3633 66.2601 -368.411 182.069 -50.3627 182.069 -223.835 GPRESSURE: 3761400 -200.144 134.096 -4.0902 66.6655 -265.378 202.383 75.4098 106.366 -234.878 PRESSAVG: 3761400 -31.6286 1.74891 11.7229 1.74896 37.5036 31.1396 11.7228 31.1396 4.18867 GPRESSAVG: 3761400 -31.1784 2.64593 13.9039 2.54559 36.0712 31.0645 10.4382 29.6493 5.01235 TIMING: 3761400 CPU: 11891.4, 0.00315439/step Wall: 11891.4, 0.00315439/step, 1.08529 hours remaining, 238.046875 MB of memory in use. ENERGY: 3761400 3999.7589 20331.1048 14453.8273 247.8180 -203464.8373 2577.2033 0.0000 0.0000 51841.9886 -110013.1364 297.9366 -161855.1250 -109644.7827 298.2893 -266.0088 -233.4666 763778.8842 3.3546 3.3017 PRESSURE: 3761600 171.319 8.97826 62.454 8.97815 53.0486 -93.1518 62.4526 -93.1514 -156.426 GPRESSURE: 3761600 314.52 -60.8855 -28.5857 82.8647 97.2327 -93.5483 -7.00809 -112.775 -258.044 PRESSAVG: 3761600 15.3214 10.7019 38.6823 10.7018 -6.63492 28.6117 38.6822 28.6117 10.0321 GPRESSAVG: 3761600 15.1516 10.33 37.1423 8.77101 -6.52177 29.4811 39.267 28.8691 10.3518 TIMING: 3761600 CPU: 11892, 0.00317047/step Wall: 11892, 0.00317047/step, 1.09064 hours remaining, 238.046875 MB of memory in use. ENERGY: 3761600 4027.1370 20488.0494 14458.7410 257.6321 -203679.2863 2459.1223 0.0000 0.0000 52091.0273 -109897.5773 299.3678 -161988.6046 -109545.7692 298.1946 22.6472 51.2361 759354.9160 6.2395 6.3272 PRESSURE: 3761800 -21.6962 -65.4309 93.2128 -65.4306 115.226 18.6032 93.2118 18.6049 329.234 GPRESSURE: 3761800 43.2015 -7.78202 34.2806 -93.0554 109.967 -53.6785 135.643 109.877 352.065 PRESSAVG: 3761800 -27.5799 2.10619 -31.7968 2.1062 44.0874 13.855 -31.7968 13.855 -20.8074 GPRESSAVG: 3761800 -27.8475 3.05379 -31.1807 2.29954 43.9519 11.4826 -33.044 15.591 -20.5596 TIMING: 3761800 CPU: 11892.6, 0.00319382/step Wall: 11892.6, 0.00319382/step, 1.0985 hours remaining, 238.046875 MB of memory in use. ENERGY: 3761800 4024.0490 20504.6506 14433.9032 265.6877 -203682.9048 2680.0990 0.0000 0.0000 51985.0920 -109789.4233 298.7590 -161774.5153 -109420.8991 298.5042 140.9210 168.4112 761128.1958 -1.4333 -1.4851 PRESSURE: 3762000 236.668 195.689 312.485 195.688 253.938 10.7969 312.484 10.7972 182.553 GPRESSURE: 3762000 322.805 252.02 359.76 205.479 139.764 -9.35938 81.7551 44.3068 302.101 PRESSAVG: 3762000 5.79922 22.0536 20.2062 22.0536 9.08712 -56.1017 20.2062 -56.1017 -4.41217 GPRESSAVG: 3762000 6.08952 20.2215 18.5995 23.7437 8.82455 -55.9945 20.124 -57.7691 -4.45418 TIMING: 3762000 CPU: 11893.3, 0.00318152/step Wall: 11893.3, 0.00318152/step, 1.09409 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3762000 3982.2988 20442.0519 14463.5688 243.3997 -203939.2327 2871.8490 0.0000 0.0000 52197.3600 -109738.7045 299.9789 -161936.0645 -109373.0438 299.3867 224.3864 254.8900 759426.3909 3.4914 3.4866 PRESSURE: 3762200 -23.8564 18.2191 -63.3972 18.218 -92.588 -86.4413 -63.3975 -86.442 -80.4755 GPRESSURE: 3762200 32.2348 61.2437 -76.9455 34.2566 -44.1972 -5.23564 30.1246 -111.796 -106.107 PRESSAVG: 3762200 -4.65466 -29.4382 -12.7904 -29.4382 17.5506 -32.1405 -12.7905 -32.1405 13.5291 GPRESSAVG: 3762200 -4.81028 -28.6579 -11.6541 -30.4706 18.7957 -28.1401 -13.4372 -33.6428 12.5385 TIMING: 3762200 CPU: 11893.9, 0.00318008/step Wall: 11893.9, 0.00318008/step, 1.09342 hours remaining, 238.046875 MB of memory in use. ENERGY: 3762200 4006.2009 20420.6029 14437.7936 230.0386 -203504.0612 2583.4032 0.0000 0.0000 52145.2481 -109680.7738 299.6795 -161826.0219 -109321.5198 299.5045 -65.6400 -39.3564 761192.8623 8.8084 8.8413 PRESSURE: 3762400 29.8462 -234.627 -114.191 -234.628 66.3114 -34.7666 -114.191 -34.7683 6.89309 GPRESSURE: 3762400 40.2287 -178.029 -172.951 -73.124 114.456 -38.028 -95.4877 53.399 21.5939 PRESSAVG: 3762400 45.3099 7.93608 12.8028 7.93604 -28.9798 2.33056 12.8027 2.33047 20.0751 GPRESSAVG: 3762400 44.3775 5.67687 13.6344 9.60598 -29.3396 0.0396935 14.5945 5.27536 20.8589 TIMING: 3762400 CPU: 11894.5, 0.00317647/step Wall: 11894.5, 0.00317647/step, 1.092 hours remaining, 238.046875 MB of memory in use. ENERGY: 3762400 3963.2687 20475.5043 14450.7322 248.3648 -203554.7382 2553.9834 0.0000 0.0000 52126.5712 -109736.3136 299.5721 -161862.8848 -109368.1174 299.3685 34.3502 58.7595 760088.6728 12.1351 11.9656 PRESSURE: 3762600 -7.26262 96.4698 114.511 96.4707 9.02366 5.97951 114.511 5.9803 -253.21 GPRESSURE: 3762600 -45.7336 81.119 123.033 56.1 25.3128 57.0165 -51.631 -13.5461 -142.488 PRESSAVG: 3762600 16.5955 -18.2977 -42.4542 -18.2977 -14.0818 -61.9787 -42.4541 -61.9787 -20.0988 GPRESSAVG: 3762600 17.8996 -15.6723 -40.9406 -18.2575 -15.6208 -62.9378 -43.7532 -63.3446 -20.2329 TIMING: 3762600 CPU: 11895.2, 0.00316358/step Wall: 11895.2, 0.00316358/step, 1.08739 hours remaining, 238.046875 MB of memory in use. ENERGY: 3762600 4101.6020 20629.9796 14445.7428 228.0586 -203339.0763 2357.0161 0.0000 0.0000 51799.0091 -109777.6681 297.6896 -161576.6772 -109425.0579 299.2729 -83.8163 -54.3030 760395.4596 -5.8617 -5.9847 PRESSURE: 3762800 7.82096 54.1195 23.1414 54.1188 -69.6016 5.95951 23.1407 5.95934 -343.144 GPRESSURE: 3762800 91.5865 28.716 69.6091 20.7379 -57.1945 -111.427 62.563 110.659 -362.292 PRESSAVG: 3762800 4.68966 -7.90037 12.3497 -7.90041 -15.2765 3.37436 12.3497 3.37425 -13.9313 GPRESSAVG: 3762800 4.04537 -9.67352 10.8917 -9.20325 -14.4536 5.19623 11.6299 3.06243 -14.1414 TIMING: 3762800 CPU: 11895.8, 0.00324639/step Wall: 11895.8, 0.00324639/step, 1.11568 hours remaining, 238.046875 MB of memory in use. ENERGY: 3762800 3983.8331 20494.5207 14384.6745 230.6843 -203796.4909 2499.0612 0.0000 0.0000 52131.2593 -110072.4577 299.5991 -162203.7170 -109711.7810 298.8595 -134.9748 -109.2999 761279.8446 -8.1727 -8.1832 PRESSURE: 3763000 281.206 -52.1303 136.959 -52.1306 225.322 50.7983 136.958 50.7983 -32.0361 GPRESSURE: 3763000 396.406 -110.893 46.2477 -143.368 221.256 133.998 162.222 74.489 -73.6513 PRESSAVG: 3763000 -16.5928 -64.6967 42.8903 -64.6967 -16.964 -15.0965 42.8903 -15.0964 6.7939 GPRESSAVG: 3763000 -15.963 -66.7378 41.8737 -65.8125 -17.3551 -17.5139 46.3015 -12.5524 6.22761 TIMING: 3763000 CPU: 11896.5, 0.00321658/step Wall: 11896.5, 0.00321658/step, 1.10525 hours remaining, 238.046875 MB of memory in use. ENERGY: 3763000 3998.0812 20319.2424 14473.7389 242.9785 -203667.9932 2702.5212 0.0000 0.0000 51846.3176 -110085.1134 297.9615 -161931.4311 -109725.3450 298.5405 158.1642 181.3368 763162.8419 -8.9210 -9.0301 PRESSURE: 3763200 -49.2917 -32.1684 -160.163 -32.1678 -374.194 -103.432 -160.163 -103.432 364.329 GPRESSURE: 3763200 -27.7151 -19.3882 -193.871 -32.8231 -364.341 -54.3279 -63.6643 -70.5258 413.309 PRESSAVG: 3763200 -20.4527 -1.53911 7.74981 -1.53918 43.6345 -10.9964 7.74981 -10.9964 -14.3061 GPRESSAVG: 3763200 -20.8351 0.63807 8.01225 0.642941 43.0653 -9.45618 3.8264 -12.0826 -13.8154 TIMING: 3763200 CPU: 11897.1, 0.00319391/step Wall: 11897.1, 0.00319391/step, 1.09729 hours remaining, 238.046875 MB of memory in use. ENERGY: 3763200 3951.2642 20399.7892 14452.8976 254.2787 -203749.5724 2684.0647 0.0000 0.0000 52031.0442 -109976.2338 299.0231 -162007.2780 -109608.5110 298.6407 -19.7189 7.0842 763343.9911 2.9586 2.8049 PRESSURE: 3763400 -7.91072 -237.816 31.8226 -237.816 -201.444 -46.6706 31.8213 -46.6701 64.1562 GPRESSURE: 3763400 -31.9092 -144.853 98.9305 -373.879 -104.506 -66.5008 108.079 -23.7092 75.1757 PRESSAVG: 3763400 -14.9642 22.3822 -0.0393334 22.3822 -22.5249 -18.0409 -0.039344 -18.041 31.3107 GPRESSAVG: 3763400 -16.0219 22.6276 1.00953 21.4784 -20.8678 -18.003 -0.284019 -18.7639 30.5788 TIMING: 3763400 CPU: 11897.7, 0.00315757/step Wall: 11897.7, 0.00315757/step, 1.08463 hours remaining, 238.046875 MB of memory in use. ENERGY: 3763400 3974.7398 20525.8424 14455.6692 242.6377 -204070.6548 2825.1771 0.0000 0.0000 51947.5803 -110099.0083 298.5435 -162046.5886 -109736.7083 298.2073 -48.3997 -20.4131 761838.1131 -2.0594 -2.1036 PRESSURE: 3763600 131.649 277.565 30.9325 277.565 -185.107 1.06811 30.932 1.06757 -459.484 GPRESSURE: 3763600 -40.3696 114.922 -32.109 144.172 -19.2363 112.63 167.465 -81.1824 -378.562 PRESSAVG: 3763600 -5.70604 -7.51366 -11.4932 -7.51362 7.55155 -47.6343 -11.4932 -47.6342 -12.834 GPRESSAVG: 3763600 -4.95423 -8.68451 -10.7252 -7.59456 6.71277 -48.1256 -9.85045 -47.564 -12.3919 TIMING: 3763600 CPU: 11898.4, 0.00316634/step Wall: 11898.4, 0.00316634/step, 1.08746 hours remaining, 238.046875 MB of memory in use. ENERGY: 3763600 3868.1227 20465.1245 14453.7520 256.6690 -203777.2085 2699.7882 0.0000 0.0000 52029.6518 -110004.1004 299.0151 -162033.7522 -109636.0517 298.3596 -170.9806 -146.0561 764153.2319 -3.6628 -3.5444 PRESSURE: 3763800 -124.899 108.365 93.5159 108.364 110.871 105.385 93.5151 105.384 185.017 GPRESSURE: 3763800 -134.078 162.135 130.207 129.424 152.121 132.985 -70.6688 92.6581 223.511 PRESSAVG: 3763800 -67.0689 17.8859 -14.0586 17.8859 40.6309 -10.4347 -14.0585 -10.4346 10.7283 GPRESSAVG: 3763800 -67.1387 19.4007 -15.4888 17.2747 39.3465 -10.1476 -14.5943 -10.0326 11.7225 TIMING: 3763800 CPU: 11899, 0.00315957/step Wall: 11899, 0.00315957/step, 1.08496 hours remaining, 238.046875 MB of memory in use. ENERGY: 3763800 4033.2563 20350.9716 14523.6648 251.7135 -203264.7545 2464.8099 0.0000 0.0000 51969.7412 -109670.5971 298.6708 -161640.3384 -109297.8886 298.2224 56.9963 80.5181 763462.2097 -5.2365 -5.3565 PRESSURE: 3764000 170.198 16.0318 111.345 16.0315 -246.665 180.545 111.345 180.545 121.769 GPRESSURE: 3764000 145.834 0.457178 152.796 37.8584 -185.258 105.259 142.836 242.088 179.846 PRESSAVG: 3764000 43.2724 -29.054 18.7538 -29.054 -49.051 -4.89427 18.7538 -4.89422 -10.4062 GPRESSAVG: 3764000 43.9579 -28.8723 20.6754 -29.0799 -48.7762 -5.40205 17.6413 -3.58873 -10.7561 TIMING: 3764000 CPU: 11899.6, 0.0031646/step Wall: 11899.6, 0.0031646/step, 1.08651 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3764000 3975.2759 20437.2617 14459.9491 245.0394 -203628.7366 2723.2304 0.0000 0.0000 51913.4776 -109874.5025 298.3475 -161787.9801 -109507.9263 298.1547 15.1008 46.8074 761211.8937 -5.3949 -5.1915 PRESSURE: 3764200 -689.65 -108.098 -36.7347 -108.1 -69.2491 -12.505 -36.7352 -12.5041 -68.4894 GPRESSURE: 3764200 -661.021 -4.31499 -114.058 -105.102 -46.4715 -31.1648 25.382 -58.9128 -22.9204 PRESSAVG: 3764200 -100.074 -31.1249 68.0739 -31.1249 63.7774 -29.9888 68.0739 -29.9888 -13.8599 GPRESSAVG: 3764200 -100.6 -29.7317 67.2693 -30.7174 64.6245 -29.3458 70.4669 -33.1629 -13.0441 TIMING: 3764200 CPU: 11900.3, 0.00318129/step Wall: 11900.3, 0.00318129/step, 1.09207 hours remaining, 238.046875 MB of memory in use. ENERGY: 3764200 3948.9047 20505.5755 14478.7289 271.0777 -203255.3237 2373.3178 0.0000 0.0000 51950.4724 -109727.2467 298.5601 -161677.7191 -109365.6930 298.7486 -275.7962 -243.4708 762290.8799 -16.7190 -16.3400 LDB: ============= START OF LOAD BALANCING ============== 11912.7 LDB: ============== END OF LOAD BALANCING =============== 11912.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11912.7 LDB: ============= START OF LOAD BALANCING ============== 11913 LDB: Largest compute 7068 load 0.033119 is 16.9% of average load 0.196178 LDB: Average compute 0.004390 is 2.2% of average load 0.196178 LDB: TIME 11913 LOAD: AVG 0.196178 MAX 0.217041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 11913 LOAD: AVG 0.196178 MAX 0.217041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 11913 LOAD: AVG 0.196178 MAX 0.217041 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 11913 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11913 PRESSURE: 3764400 65.8972 33.8102 -246.65 33.8111 -173.238 -88.1595 -246.649 -88.1599 28.3865 GPRESSURE: 3764400 169.243 -18.0621 -229.511 25.4672 -121.727 -48.7559 -193.951 -155.473 -33.0201 PRESSAVG: 3764400 -91.5956 2.15125 48.3613 2.15125 89.98 -31.3943 48.3613 -31.3943 -4.42543 GPRESSAVG: 3764400 -91.4501 2.10952 47.8612 3.15261 90.4516 -32.0236 47.1773 -29.2386 -5.58804 TIMING: 3764400 CPU: 11900.9, 0.00325215/step Wall: 11900.9, 0.00325215/step, 1.11621 hours remaining, 238.355469 MB of memory in use. ENERGY: 3764400 3971.3752 20425.0666 14469.7723 245.7840 -203844.9402 2719.9225 0.0000 0.0000 52227.2396 -109785.7800 300.1507 -162013.0196 -109421.0996 299.0169 -26.3181 4.8319 761956.4856 -2.0137 -2.1955 PRESSURE: 3764600 -108.994 45.4698 271.688 45.4697 -106.107 57.7046 271.688 57.7052 -28.4803 GPRESSURE: 3764600 -55.5414 23.4497 243.856 -45.8537 -114.976 83.9022 240.854 121.967 6.90391 PRESSAVG: 3764600 -8.09385 1.85135 5.31677 1.85136 45.2582 -5.58061 5.31686 -5.5806 6.11573 GPRESSAVG: 3764600 -7.83846 0.303784 6.12343 0.347209 44.3517 -5.93194 5.18973 -3.60393 6.66945 TIMING: 3764600 CPU: 11901.6, 0.00316567/step Wall: 11901.6, 0.00316567/step, 1.08635 hours remaining, 238.355469 MB of memory in use. ENERGY: 3764600 4010.1320 20564.9913 14413.4076 251.2135 -203430.1634 2526.5770 0.0000 0.0000 51887.7781 -109776.0638 298.1998 -161663.8419 -109420.3887 298.6024 -81.1937 -54.5378 761778.3056 14.4267 14.3942 PRESSURE: 3764800 -201.27 -167.332 54.7829 -167.332 107.511 -360.857 54.783 -360.857 188.822 GPRESSURE: 3764800 -108.811 -127.165 97.7393 -47.624 67.9578 -345.416 -12.4957 -310.921 202.073 PRESSAVG: 3764800 -19.9296 29.4289 41.3404 29.429 57.6431 -68.6786 41.3404 -68.6786 -15.3451 GPRESSAVG: 3764800 -19.1545 30.0494 41.652 30.0177 57.4416 -66.589 43.7177 -69.7843 -16.4112 TIMING: 3764800 CPU: 11902.2, 0.00317463/step Wall: 11902.2, 0.00317463/step, 1.08925 hours remaining, 238.355469 MB of memory in use. ENERGY: 3764800 3918.7753 20513.0682 14429.6999 247.9897 -203439.1791 2509.4476 0.0000 0.0000 52131.1983 -109689.0002 299.5987 -161820.1985 -109332.3478 298.9938 31.6875 53.7401 761160.4432 7.4561 7.2920 PRESSURE: 3765000 -86.7381 -30.304 148.312 -30.3042 -84.3918 -59.7079 148.312 -59.7087 88.4595 GPRESSURE: 3765000 -68.5365 -55.229 130.645 -34.3327 -87.0234 -61.7458 -10.6908 -154.613 168.746 PRESSAVG: 3765000 -69.2026 -3.31359 29.7865 -3.31365 41.7172 -54.3215 29.7865 -54.3215 -24.3097 GPRESSAVG: 3765000 -70.2114 -2.56202 30.5881 -4.81964 42.604 -55.6999 22.9815 -54.806 -23.9444 TIMING: 3765000 CPU: 11902.8, 0.00317777/step Wall: 11902.8, 0.00317777/step, 1.09015 hours remaining, 238.355469 MB of memory in use. ENERGY: 3765000 4004.5032 20558.5531 14363.8541 245.8493 -202616.0172 2083.3205 0.0000 0.0000 51820.9256 -109539.0114 297.8156 -161359.9371 -109177.0099 298.8569 -27.5568 4.3954 762461.7465 -17.2650 -17.1839 PRESSURE: 3765200 -27.3496 -44.5793 -114.195 -44.58 3.08297 195.894 -114.194 195.894 -13.6678 GPRESSURE: 3765200 42.6385 -25.5252 -160.826 -126.066 32.5948 108.401 -159.328 60.8942 -45.3373 PRESSAVG: 3765200 -23.2495 -27.226 -13.9573 -27.226 0.542203 -12.8431 -13.9573 -12.8431 17.0247 GPRESSAVG: 3765200 -22.0019 -27.3167 -15.8114 -26.4181 -0.590806 -12.4791 -10.5121 -13.4825 16.5153 TIMING: 3765200 CPU: 11903.5, 0.00321282/step Wall: 11903.5, 0.00321282/step, 1.102 hours remaining, 238.355469 MB of memory in use. ENERGY: 3765200 3990.5959 20457.6645 14442.9143 232.7171 -202891.3441 2456.9921 0.0000 0.0000 51940.0871 -109370.3730 298.5004 -161310.4601 -109009.7192 298.9414 -12.6448 9.9653 762614.5249 -1.8942 -2.0258 PRESSURE: 3765400 -126.211 94.5006 165.72 94.5002 -477.936 -23.8876 165.72 -23.8882 38.9808 GPRESSURE: 3765400 -58.6107 108.248 144.042 69.7105 -486.845 -35.2206 260.903 12.2354 56.5169 PRESSAVG: 3765400 12.1561 -27.9866 -13.7834 -27.9866 3.61775 8.78644 -13.7834 8.7864 0.608015 GPRESSAVG: 3765400 10.5093 -28.4208 -13.7805 -26.8873 4.22437 8.37791 -13.2251 9.04957 1.63962 TIMING: 3765400 CPU: 11904.1, 0.00316753/step Wall: 11904.1, 0.00316753/step, 1.08629 hours remaining, 238.355469 MB of memory in use. ENERGY: 3765400 4014.1210 20576.4365 14494.3236 240.4504 -202995.9834 2324.6620 0.0000 0.0000 52222.5099 -109123.4800 300.1235 -161345.9900 -108765.9798 299.6027 -188.3884 -162.9794 761597.3499 5.4606 5.4578 PRESSURE: 3765600 56.5428 78.3556 -68.0505 78.3556 192.833 -208.17 -68.051 -208.17 -143.32 GPRESSURE: 3765600 99.4748 -64.3662 60.6623 11.1271 202.084 -191.991 -32.4786 -313.549 -131.792 PRESSAVG: 3765600 23.8549 -2.31475 -34.7198 -2.31473 -17.7907 -21.9452 -34.7197 -21.9451 -3.97664 GPRESSAVG: 3765600 24.0387 -3.61043 -34.7239 -3.21963 -18.7767 -22.2018 -35.1397 -23.1584 -3.63079 TIMING: 3765600 CPU: 11904.7, 0.00317223/step Wall: 11904.7, 0.00317223/step, 1.08772 hours remaining, 238.355469 MB of memory in use. ENERGY: 3765600 3969.4219 20479.0666 14408.5898 262.7625 -203266.8030 2471.6144 0.0000 0.0000 52388.6662 -109286.6817 301.0784 -161675.3480 -108927.2320 300.0620 35.3520 56.5890 761836.1272 0.6959 0.5437 PRESSURE: 3765800 -261.847 -88.0385 207.212 -88.0383 87.5532 3.25187 207.211 3.25212 -226.308 GPRESSURE: 3765800 -175.848 -60.7264 301.57 -136.385 8.47996 -26.6797 267.881 43.4227 -167.676 PRESSAVG: 3765800 -27.5346 -5.9448 33.282 -5.9448 56.4509 -61.9107 33.282 -61.9106 3.36335 GPRESSAVG: 3765800 -27.3696 -4.84231 34.9173 -4.56041 56.147 -62.1557 34.8296 -58.3609 3.40076 TIMING: 3765800 CPU: 11905.4, 0.00318029/step Wall: 11905.4, 0.00318029/step, 1.09031 hours remaining, 238.355469 MB of memory in use. ENERGY: 3765800 3961.5491 20567.8691 14434.1758 247.2538 -203463.9118 2782.3654 0.0000 0.0000 52147.3115 -109323.3871 299.6913 -161470.6986 -108966.4138 299.9326 -133.5339 -111.6813 762364.0532 10.7599 10.7261 PRESSURE: 3766000 -28.3988 24.4849 -46.0453 24.4856 33.188 9.34903 -46.0457 9.34988 -160.779 GPRESSURE: 3766000 -15.5559 60.1674 -44.9602 -43.2339 45.0994 14.7228 -95.6662 -28.3088 -71.2811 PRESSAVG: 3766000 29.4242 -14.4126 50.2135 -14.4125 -27.6072 -50.2447 50.2135 -50.2447 8.47086 GPRESSAVG: 3766000 29.9026 -16.4823 50.9068 -15.2825 -26.7111 -49.6513 48.0205 -52.333 7.26003 TIMING: 3766000 CPU: 11906, 0.00318963/step Wall: 11906, 0.00318963/step, 1.09333 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3766000 4018.1195 20535.9142 14388.0201 252.4000 -204113.1800 3160.1127 0.0000 0.0000 52331.6591 -109426.9543 300.7508 -161758.6134 -109062.6041 299.5488 -51.9966 -13.9125 760807.9502 3.4293 3.4838 PRESSURE: 3766200 262.625 78.251 89.2783 78.2509 -121.611 130.209 89.2781 130.209 326.623 GPRESSURE: 3766200 314.623 -33.068 62.3056 121.369 -81.1317 204.001 103.286 128.152 334.107 PRESSAVG: 3766200 1.37132 -39.4997 6.34483 -39.4997 11.101 -2.02521 6.34491 -2.0252 10.2453 GPRESSAVG: 3766200 1.50837 -41.3679 3.67381 -38.0885 11.1245 -1.40574 6.40912 -2.90385 9.89847 TIMING: 3766200 CPU: 11906.6, 0.00315815/step Wall: 11906.6, 0.00315815/step, 1.08237 hours remaining, 238.355469 MB of memory in use. ENERGY: 3766200 3928.4827 20468.5682 14473.8309 247.1968 -203662.6356 2784.9230 0.0000 0.0000 52470.7892 -109288.8448 301.5503 -161759.6340 -108929.6818 300.1015 155.8790 189.1996 761202.5889 7.5725 7.5104 PRESSURE: 3766400 72.9058 -169.077 92.9241 -169.078 -148.039 -142.695 92.9244 -142.695 -440.433 GPRESSURE: 3766400 102.655 -129.975 137.649 -119.601 -38.3373 -205.763 59.8456 -104.75 -497.635 PRESSAVG: 3766400 -68.6254 -29.5032 20.8449 -29.5032 53.1218 34.459 20.8449 34.459 3.41635 GPRESSAVG: 3766400 -71.1673 -27.3423 21.2016 -29.7647 54.074 34.2771 21.5719 35.8733 4.02807 TIMING: 3766400 CPU: 11907.3, 0.00321502/step Wall: 11907.3, 0.00321502/step, 1.10168 hours remaining, 238.355469 MB of memory in use. ENERGY: 3766400 4052.2937 20495.3234 14463.2063 264.6879 -203488.0826 2652.3412 0.0000 0.0000 52219.0080 -109341.2222 300.1034 -161560.2302 -108975.0771 299.7255 -171.8552 -144.4393 761982.8041 -4.0291 -4.3551 PRESSURE: 3766600 -29.4018 -178.544 231.381 -178.545 -319.323 -110.987 231.38 -110.987 74.5431 GPRESSURE: 3766600 -30.6832 -127.915 243.499 -69.143 -330.069 -100.75 82.0306 27.6872 167.253 PRESSAVG: 3766600 -30.0111 -94.4923 57.8058 -94.4924 39.5574 -17.6314 57.8059 -17.6314 6.84478 GPRESSAVG: 3766600 -29.2575 -94.6043 59.2085 -96.5328 38.7876 -19.1021 55.1827 -16.0961 6.43106 TIMING: 3766600 CPU: 11907.9, 0.00321539/step Wall: 11907.9, 0.00321538/step, 1.10163 hours remaining, 238.355469 MB of memory in use. ENERGY: 3766600 3996.9921 20400.7165 14355.0254 243.4365 -202976.8231 2600.8626 0.0000 0.0000 51981.9314 -109397.8587 298.7409 -161379.7901 -109035.3334 299.6013 -91.3937 -64.4997 762027.9305 5.4637 5.3204 PRESSURE: 3766800 -463 123.806 -97.0593 123.806 5.63556 -331.554 -97.0588 -331.554 197.35 GPRESSURE: 3766800 -387.272 34.7711 -169.766 144.164 22.1695 -359.463 34.9841 -228.68 183.647 PRESSAVG: 3766800 -15.9732 -42.1527 0.214547 -42.1527 0.260652 16.1228 0.21458 16.1228 7.12747 GPRESSAVG: 3766800 -14.9232 -42.8683 -0.933851 -40.2183 -0.309604 17.5418 2.56242 17.7162 6.79511 TIMING: 3766800 CPU: 11908.6, 0.00317951/step Wall: 11908.6, 0.00317951/step, 1.08916 hours remaining, 238.355469 MB of memory in use. ENERGY: 3766800 3960.0661 20494.2181 14450.8993 232.2177 -203009.4179 2351.9259 0.0000 0.0000 52136.8242 -109383.2666 299.6310 -161520.0908 -109017.1892 299.1121 -86.6715 -60.4850 762086.2573 -2.8617 -2.8126 PRESSURE: 3767000 628.217 -2.12111 -84.3141 -2.12307 125.841 -152.636 -84.3136 -152.635 194.623 GPRESSURE: 3767000 520.195 -50.8567 -122.03 31.2307 244.901 -139.926 -105.211 -92.9264 256.019 PRESSAVG: 3767000 2.86788 3.26388 -36.1095 3.2639 26.3008 -2.43582 -36.1095 -2.43589 -16.1736 GPRESSAVG: 3767000 0.969913 3.81639 -35.3884 0.550048 27.6884 -4.88193 -35.4453 -3.72116 -15.4502 TIMING: 3767000 CPU: 11909.2, 0.00315804/step Wall: 11909.2, 0.00315804/step, 1.08163 hours remaining, 238.355469 MB of memory in use. ENERGY: 3767000 3958.0487 20431.7870 14409.2979 240.3863 -203217.9449 2684.9819 0.0000 0.0000 51948.4781 -109544.9650 298.5486 -161493.4432 -109179.7167 299.6044 316.2271 340.3718 760251.2617 4.3317 4.4027 PRESSURE: 3767200 -187.867 4.00383 -154.752 4.00477 23.0594 -75.5938 -154.751 -75.5945 -288.743 GPRESSURE: 3767200 -185.018 -97.077 -113.761 146.227 26.6122 -14.9636 -39.4184 -219.705 -198.545 PRESSAVG: 3767200 -12.0016 -18.0594 -20.1924 -18.0594 6.45032 -19.5669 -20.1924 -19.5669 11.1284 GPRESSAVG: 3767200 -12.6464 -18.078 -19.749 -16.5444 6.79434 -18.0966 -20.2405 -19.6349 10.6732 TIMING: 3767200 CPU: 11909.8, 0.00315795/step Wall: 11909.8, 0.00315795/step, 1.08142 hours remaining, 238.355469 MB of memory in use. ENERGY: 3767200 4001.5351 20443.9761 14448.6319 251.4070 -203388.4761 2528.5822 0.0000 0.0000 52020.5191 -109693.8247 298.9626 -161714.3438 -109340.0399 299.0320 -151.1835 -118.9835 762410.0139 1.8591 1.6070 PRESSURE: 3767400 5.10503 -65.6797 -36.234 -65.6798 -187.244 -3.22711 -36.2342 -3.22839 -266.954 GPRESSURE: 3767400 13.3936 2.71104 -117.524 -40.619 -125.332 52.309 -103.293 -177.327 -245.582 PRESSAVG: 3767400 -40.2279 1.52106 36.1812 1.52101 -9.73828 -29.5035 36.1813 -29.5035 29.7946 GPRESSAVG: 3767400 -38.8583 1.48652 35.5108 1.88067 -11.1372 -28.7463 35.2896 -32.0381 29.802 TIMING: 3767400 CPU: 11910.5, 0.00316688/step Wall: 11910.5, 0.00316689/step, 1.08431 hours remaining, 238.355469 MB of memory in use. ENERGY: 3767400 3993.8822 20463.1365 14457.2002 237.3466 -203447.6158 2746.5475 0.0000 0.0000 51698.7498 -109850.7529 297.1134 -161549.5027 -109493.1373 298.3922 -149.6978 -119.1732 761741.3740 -6.7239 -6.7312 PRESSURE: 3767600 -391.701 77.0621 -202.626 77.0624 -308.094 -249.652 -202.625 -249.653 28.3728 GPRESSURE: 3767600 -371.087 -46.5342 -282.179 76.9023 -280.756 -221.081 -27.8273 -241.248 70.436 PRESSAVG: 3767600 -43.7193 3.12932 -1.74668 3.12927 35.9425 -54.4297 -1.74659 -54.4297 -0.823311 GPRESSAVG: 3767600 -43.7377 3.96402 -2.69096 2.90836 36.8252 -56.4942 -0.393876 -50.3267 -1.20824 TIMING: 3767600 CPU: 11911.1, 0.00319387/step Wall: 11911.1, 0.00319387/step, 1.09337 hours remaining, 238.355469 MB of memory in use. ENERGY: 3767600 3958.8279 20449.0710 14500.3891 253.9844 -203126.7734 2444.4495 0.0000 0.0000 51840.0898 -109679.9616 297.9257 -161520.0515 -109316.7354 298.7726 -223.8074 -193.8024 762431.8058 -2.8667 -2.7069 PRESSURE: 3767800 65.809 100.719 -19.6308 100.717 -5.49228 -90.6277 -19.6313 -90.6264 104.203 GPRESSURE: 3767800 79.2899 76.5479 -30.8566 -26.0845 141.253 -127.893 -60.7765 -130.348 22.4418 PRESSAVG: 3767800 -22.7615 0.00948982 -45.8945 0.00945948 7.19952 -5.15143 -45.8945 -5.15144 -0.385434 GPRESSAVG: 3767800 -23.1793 -0.106653 -42.8566 -0.961683 7.20348 -3.55625 -47.105 -6.40855 -0.325338 TIMING: 3767800 CPU: 11911.7, 0.00321285/step Wall: 11911.7, 0.00321285/step, 1.09969 hours remaining, 238.355469 MB of memory in use. ENERGY: 3767800 3975.9538 20489.6092 14481.9282 240.5441 -202972.2133 2175.8796 0.0000 0.0000 52095.6929 -109512.6054 299.3947 -161608.2983 -109149.0545 299.2045 54.8398 80.9948 762555.1042 -5.3158 -5.4337 PRESSURE: 3768000 -421.895 4.11741 -84.7189 4.11663 94.6518 -35.6445 -84.7187 -35.6453 -201.103 GPRESSURE: 3768000 -461.905 -12.3713 -106.471 65.1703 157.485 -57.335 -81.8799 22.3748 -142.652 PRESSAVG: 3768000 -18.9954 35.4389 -7.65117 35.439 42.3427 -33.4355 -7.65113 -33.4355 8.01432 GPRESSAVG: 3768000 -19.2412 34.932 -9.47097 35.1251 42.747 -34.5582 -7.69893 -34.6254 7.67464 TIMING: 3768000 CPU: 11912.4, 0.00319036/step Wall: 11912.4, 0.00319036/step, 1.09181 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3768000 4048.1761 20520.9385 14509.5310 223.6352 -203855.8316 2732.8693 0.0000 0.0000 52145.6265 -109675.0550 299.6816 -161820.6816 -109307.2240 298.9380 -176.1155 -149.0238 760868.1378 10.4539 10.3935 PRESSURE: 3768200 -154.356 -10.3157 303.608 -10.3161 8.87052 33.9544 303.609 33.9546 -301.357 GPRESSURE: 3768200 -95.8984 111.511 313.493 -28.2181 0.99822 28.5892 333.357 179.748 -259.24 PRESSAVG: 3768200 -15.9584 -50.6307 -27.5493 -50.6307 4.89379 -72.8431 -27.5493 -72.8431 -23.6426 GPRESSAVG: 3768200 -15.021 -51.082 -28.1685 -49.0599 4.56022 -73.2745 -25.3814 -70.8397 -23.3594 TIMING: 3768200 CPU: 11913, 0.00319059/step Wall: 11913, 0.00319059/step, 1.09171 hours remaining, 238.355469 MB of memory in use. ENERGY: 3768200 4006.0225 20544.5737 14456.5563 249.4604 -203599.9746 2521.4223 0.0000 0.0000 52006.3016 -109815.6378 298.8809 -161821.9394 -109458.0713 298.4053 -148.9473 -118.0466 763099.5963 -11.5690 -11.2734 LDB: ============= START OF LOAD BALANCING ============== 11925.4 LDB: ============== END OF LOAD BALANCING =============== 11925.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11925.4 LDB: ============= START OF LOAD BALANCING ============== 11925.7 LDB: Largest compute 7036 load 0.035334 is 18.0% of average load 0.196016 LDB: Average compute 0.004391 is 2.2% of average load 0.196016 LDB: TIME 11925.7 LOAD: AVG 0.196016 MAX 0.215824 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.312 MB LDB: TIME 11925.7 LOAD: AVG 0.196016 MAX 0.215824 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.379 MB LDB: TIME 11925.7 LOAD: AVG 0.196016 MAX 0.215824 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11925.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11925.7 PRESSURE: 3768400 -458.714 -174.911 172.52 -174.91 -227.889 -73.7316 172.519 -73.7326 -5.70674 GPRESSURE: 3768400 -410.97 -144.104 179.689 -70.3052 -146.5 -96.9559 162.106 -99.6657 -43.3773 PRESSAVG: 3768400 18.6713 -3.90945 -2.65563 -3.90944 -22.2055 -17.9528 -2.65561 -17.9528 -38.9022 GPRESSAVG: 3768400 18.662 -1.61257 -2.77286 -3.27442 -21.7411 -17.3027 -3.77342 -19.3276 -38.942 TIMING: 3768400 CPU: 11913.7, 0.00323237/step Wall: 11913.7, 0.00323237/step, 1.10583 hours remaining, 239.488281 MB of memory in use. ENERGY: 3768400 4001.8717 20496.8512 14488.5553 257.2081 -203474.9313 2310.4754 0.0000 0.0000 52054.6260 -109865.3434 299.1587 -161919.9694 -109507.2298 298.4404 -230.7698 -200.2824 763667.3974 -14.1455 -14.0070 PRESSURE: 3768600 165.501 -8.22565 74.0242 -8.22454 133 -98.1078 74.0241 -98.1081 223.022 GPRESSURE: 3768600 220.016 -118.144 74.0521 28.4746 127.867 -134.272 65.7312 -70.4849 252.564 PRESSAVG: 3768600 -84.8964 30.8212 43.9662 30.8212 19.5131 -25.1099 43.9661 -25.1099 21.8268 GPRESSAVG: 3768600 -85.9173 27.7185 43.6479 29.7493 20.4811 -25.9043 42.6751 -23.7906 21.5598 TIMING: 3768600 CPU: 11914.3, 0.00316764/step Wall: 11914.3, 0.00316764/step, 1.08351 hours remaining, 239.691406 MB of memory in use. ENERGY: 3768600 4002.4916 20419.4577 14489.5800 248.7814 -203495.9558 2734.9126 0.0000 0.0000 51785.1487 -109815.5839 297.6100 -161600.7326 -109467.2226 298.1764 173.8410 200.1490 762704.5058 -14.5189 -14.6255 PRESSURE: 3768800 -37.7129 1.11106 262.646 1.11084 342.765 109.29 262.645 109.292 145.631 GPRESSURE: 3768800 21.8398 -44.0895 176.978 -36.4586 410.548 130.75 355.219 -35.8147 100.496 PRESSAVG: 3768800 -1.49558 14.0305 -29.3621 14.0305 -3.14652 -60.8845 -29.3621 -60.8844 -11.1984 GPRESSAVG: 3768800 -0.48089 16.6366 -30.1436 12.5834 -4.17194 -61.2965 -27.4749 -63.6234 -10.9409 TIMING: 3768800 CPU: 11914.9, 0.00313176/step Wall: 11914.9, 0.00313176/step, 1.07106 hours remaining, 239.691406 MB of memory in use. ENERGY: 3768800 3922.0991 20530.9656 14520.1868 265.0627 -203662.5135 2831.6673 0.0000 0.0000 51699.2621 -109893.2698 297.1164 -161592.5319 -109541.9544 298.3593 150.2278 177.6279 762307.4983 -5.2802 -5.1979 PRESSURE: 3769000 667.33 49.991 -174.516 49.9904 -18.8539 42.2144 -174.516 42.2133 271.614 GPRESSURE: 3769000 679.353 111.671 -225.348 22.8334 16.2693 88.1889 -138.831 -0.134236 321.287 PRESSAVG: 3769000 46.6103 0.412456 23.7035 0.412434 -53.4084 -21.9349 23.7036 -21.9349 13.4564 GPRESSAVG: 3769000 46.5021 -0.576594 25.0138 -0.661906 -52.8631 -20.2294 22.4042 -19.4735 13.5761 TIMING: 3769000 CPU: 11915.6, 0.00313988/step Wall: 11915.6, 0.00313988/step, 1.07366 hours remaining, 239.691406 MB of memory in use. ENERGY: 3769000 3961.3286 20364.1821 14454.1101 237.4723 -203779.5842 3009.6468 0.0000 0.0000 52182.2962 -109570.5481 299.8924 -161752.8443 -109203.6986 298.7197 306.6965 338.9695 762048.9139 2.2195 2.4050 PRESSURE: 3769200 62.1329 15.2713 156.312 15.273 -138.536 -192.732 156.312 -192.732 80.7622 GPRESSURE: 3769200 103.956 40.6571 200.317 108.571 -159.522 -206.229 172.918 -137.701 147.756 PRESSAVG: 3769200 -15.6187 52.0259 -13.3636 52.026 1.79393 -30.9981 -13.3635 -30.9981 -13.6267 GPRESSAVG: 3769200 -15.8467 52.0477 -12.7283 52.7518 1.50284 -31.9025 -13.1454 -31.2229 -12.843 TIMING: 3769200 CPU: 11916.2, 0.00317548/step Wall: 11916.2, 0.00317548/step, 1.08566 hours remaining, 239.691406 MB of memory in use. ENERGY: 3769200 3928.5693 20657.3093 14397.5911 245.8494 -203361.6849 2567.4517 0.0000 0.0000 51832.0127 -109732.9013 297.8793 -161564.9140 -109376.2658 299.0823 1.4531 30.7300 760726.4447 -9.1505 -9.0623 PRESSURE: 3769400 -298.72 -96.103 -164.857 -96.103 -12.7865 89.5558 -164.857 89.5554 -223.289 GPRESSURE: 3769400 -87.232 -198.074 -143.525 -82.075 -100.605 135.197 -122.486 138.485 -264.707 PRESSAVG: 3769400 38.7269 -74.2366 23.8898 -74.2366 -99.7941 -53.4691 23.8898 -53.469 -5.64777 GPRESSAVG: 3769400 40.492 -74.6764 25.2245 -73.5469 -101.415 -53.6135 21.6734 -54.1661 -6.07545 TIMING: 3769400 CPU: 11916.8, 0.00316252/step Wall: 11916.8, 0.00316252/step, 1.08106 hours remaining, 239.691406 MB of memory in use. ENERGY: 3769400 3931.5241 20426.5983 14465.8242 256.3443 -203371.4515 2544.7586 0.0000 0.0000 51835.7267 -109910.6752 297.9006 -161746.4019 -109559.5312 298.7281 -178.2650 -150.8479 761226.2620 -22.2383 -22.3327 PRESSURE: 3769600 220.709 -12.5192 63.7421 -12.5193 78.3424 111.647 63.7408 111.646 272.042 GPRESSURE: 3769600 271.574 19.696 117.18 -36.1567 165.209 83.1008 156.508 23.3858 215.568 PRESSAVG: 3769600 16.5792 -6.70919 -1.27178 -6.7092 -41.075 -13.2042 -1.27176 -13.2043 0.470824 GPRESSAVG: 3769600 17.2466 -8.79301 -2.0628 -5.2307 -40.7111 -11.9522 0.691024 -12.0596 -0.300073 TIMING: 3769600 CPU: 11917.5, 0.00318195/step Wall: 11917.5, 0.00318195/step, 1.08752 hours remaining, 239.691406 MB of memory in use. ENERGY: 3769600 3976.4403 20391.9722 14441.1517 244.2882 -203579.1639 2577.7943 0.0000 0.0000 52210.3626 -109737.1545 300.0537 -161947.5172 -109369.2114 298.3203 190.3644 217.4500 760967.3838 -8.0083 -7.9215 PRESSURE: 3769800 -107.965 -91.7478 14.6375 -91.7478 -195.572 -150.591 14.6381 -150.59 19.0048 GPRESSURE: 3769800 43.1274 15.9957 -11.8776 -103.562 -190.582 -179.068 -73.3788 -117.163 -63.6896 PRESSAVG: 3769800 41.7276 39.4227 24.5319 39.4227 -34.0172 2.9989 24.5318 2.99892 -9.27754 GPRESSAVG: 3769800 39.4976 40.9755 23.1426 38.6846 -32.711 0.140339 24.2017 3.52985 -8.54182 TIMING: 3769800 CPU: 11918.1, 0.00317325/step Wall: 11918.1, 0.00317325/step, 1.08437 hours remaining, 239.691406 MB of memory in use. ENERGY: 3769800 4003.0481 20542.8724 14436.2209 234.9251 -203246.2445 2383.0582 0.0000 0.0000 52116.9914 -109529.1283 299.5171 -161646.1197 -109176.3621 298.8437 -94.8441 -70.3815 761930.4399 -0.5224 -0.5851 PRESSURE: 3770000 -171.853 30.3061 16.2461 30.3064 -296.023 -205.536 16.246 -205.536 -289.846 GPRESSURE: 3770000 -90.7853 -3.45793 -39.6092 10.6747 -375.23 -189.603 26.8625 -134.347 -191.292 PRESSAVG: 3770000 2.98899 1.07991 27.1063 1.07988 -5.67784 2.47035 27.1064 2.47036 -20.5638 GPRESSAVG: 3770000 4.05348 2.16757 27.8901 0.7705 -5.78284 4.51252 26.66 0.441439 -20.6526 TIMING: 3770000 CPU: 11918.7, 0.00316821/step Wall: 11918.7, 0.00316821/step, 1.08247 hours remaining, 239.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3770000 4038.3768 20426.3445 14484.1831 242.1075 -203085.2731 2307.8133 0.0000 0.0000 51938.1755 -109648.2725 298.4894 -161586.4480 -109282.8305 299.2202 -252.5742 -219.1024 762977.9231 -7.7509 -7.4606 PRESSURE: 3770200 -112.954 -261.475 -182.673 -261.475 22.5448 23.2313 -182.674 23.2313 62.2216 GPRESSURE: 3770200 -33.8985 -199.266 -227.226 -236.938 48.3746 -31.7988 -175.701 -70.5899 29.9672 PRESSAVG: 3770200 -37.6354 -38.0266 -4.30952 -38.0266 10.9333 -50.7265 -4.30951 -50.7265 -30.4683 GPRESSAVG: 3770200 -39.1136 -38.3928 -4.67108 -40.5058 11.5482 -51.229 -3.67387 -49.2826 -30.5561 TIMING: 3770200 CPU: 11919.4, 0.00315266/step Wall: 11919.4, 0.00315266/step, 1.07698 hours remaining, 239.691406 MB of memory in use. ENERGY: 3770200 3948.9119 20427.4930 14524.3865 246.5177 -203345.2255 2792.8153 0.0000 0.0000 51914.6532 -109490.4478 298.3542 -161405.1010 -109129.7977 299.1846 -9.3960 14.8144 762996.1356 -19.0568 -19.3738 PRESSURE: 3770400 218.119 -112.798 39.9144 -112.798 346.322 -1.74654 39.915 -1.74594 -574.375 GPRESSURE: 3770400 188.578 -63.2742 -7.86181 -7.92861 359.171 -22.4686 58.1028 -128.817 -477.47 PRESSAVG: 3770400 58.523 -36.8822 33.2371 -36.8822 -106.509 2.69356 33.2371 2.6936 -10.7921 GPRESSAVG: 3770400 59.0397 -37.1878 32.0911 -34.5341 -108.137 4.09553 32.3789 2.75897 -9.50619 TIMING: 3770400 CPU: 11920, 0.00316601/step Wall: 11920, 0.00316601/step, 1.08137 hours remaining, 239.691406 MB of memory in use. ENERGY: 3770400 4028.3084 20614.3070 14456.4028 247.6723 -203594.6058 2768.0475 0.0000 0.0000 52033.9307 -109445.9371 299.0397 -161479.8678 -109083.0674 299.1695 -3.3110 23.4263 762942.6181 -19.5926 -19.5344 PRESSURE: 3770600 -115.796 -38.485 -102.226 -38.4847 -43.2868 179.892 -102.226 179.892 -109.906 GPRESSURE: 3770600 -111.008 -144.494 -113.487 -64.5466 -33.6343 78.955 -14.5479 102.335 -49.3205 PRESSAVG: 3770600 16.9092 12.2964 -1.25319 12.2963 -29.3907 -42.0658 -1.25326 -42.0659 -12.304 GPRESSAVG: 3770600 16.518 12.7038 -1.19655 11.9395 -27.208 -42.3756 0.225175 -42.9143 -14.0396 TIMING: 3770600 CPU: 11920.6, 0.00313556/step Wall: 11920.6, 0.00313556/step, 1.0708 hours remaining, 239.691406 MB of memory in use. ENERGY: 3770600 4047.4124 20667.2304 14459.5960 225.7650 -203253.4428 2549.2582 0.0000 0.0000 52064.1768 -109240.0039 299.2135 -161304.1806 -108869.3198 299.3859 -89.6629 -64.6544 763471.9973 -8.2618 -8.2432 PRESSURE: 3770800 2.33107 206.418 -47.8609 206.417 -158.11 -121.032 -47.8599 -121.031 -307.456 GPRESSURE: 3770800 -8.00853 258.734 3.25879 188.961 -33.8081 -84.9603 -95.4086 -258.021 -337.859 PRESSAVG: 3770800 68.9362 -24.9473 -14.8731 -24.9474 -54.6738 -5.51594 -14.8731 -5.51598 2.65202 GPRESSAVG: 3770800 69.325 -24.0772 -14.5684 -24.1211 -55.5019 -5.5854 -14.5915 -7.09991 2.77425 TIMING: 3770800 CPU: 11921.2, 0.00313336/step Wall: 11921.2, 0.00313336/step, 1.06987 hours remaining, 239.691406 MB of memory in use. ENERGY: 3770800 3996.3875 20804.4106 14485.4848 225.4574 -203557.8154 2678.4690 0.0000 0.0000 52249.4640 -109118.1420 300.2784 -161367.6061 -108758.3526 300.2405 -154.4117 -126.5585 763172.1636 5.6381 5.5324 PRESSURE: 3771000 -134.197 -246.273 177.342 -246.273 -555.225 16.0704 177.342 16.0702 341.039 GPRESSURE: 3771000 -168.387 -247.467 155.852 -223.382 -382.897 29.0792 217.613 124.107 301.896 PRESSAVG: 3771000 20.6163 -48.4193 -31.0661 -48.4193 -59.1507 -61.5639 -31.0662 -61.564 -3.0664 GPRESSAVG: 3771000 20.5669 -50.3777 -30.5593 -47.6925 -59.5488 -61.892 -31.0245 -58.0438 -2.83232 TIMING: 3771000 CPU: 11921.9, 0.00317752/step Wall: 11921.9, 0.00317752/step, 1.08477 hours remaining, 239.691406 MB of memory in use. ENERGY: 3771000 4062.2740 20648.3332 14521.2230 242.4827 -203412.7749 2574.8935 0.0000 0.0000 52321.8967 -109041.6719 300.6947 -161363.5686 -108668.2528 300.6844 -116.1273 -83.1290 763730.6459 -13.8670 -13.9381 PRESSURE: 3771200 -330.841 217.622 -17.3096 217.622 -312.975 -282.612 -17.309 -282.613 -525.029 GPRESSURE: 3771200 -231.417 236.618 -20.2884 235.108 -353.629 -158.3 -92.8087 -436.803 -485.913 PRESSAVG: 3771200 35.8756 -53.7179 -15.9695 -53.7179 10.7173 4.13888 -15.9695 4.1389 -4.98342 GPRESSAVG: 3771200 36.2789 -53.449 -16.5015 -53.5427 10.3125 6.00532 -18.0648 1.16906 -4.88633 TIMING: 3771200 CPU: 11922.5, 0.00316421/step Wall: 11922.5, 0.00316421/step, 1.08005 hours remaining, 239.691406 MB of memory in use. ENERGY: 3771200 4046.2117 20600.0942 14538.7892 242.3205 -202733.3808 2306.9058 0.0000 0.0000 52070.6639 -108928.3954 299.2508 -160999.0593 -108558.3798 300.7374 -389.6151 -356.9861 764221.3270 13.8698 13.9017 PRESSURE: 3771400 201.331 -23.009 151.802 -23.0085 -44.9219 -183.842 151.801 -183.842 -141.45 GPRESSURE: 3771400 234.475 9.36518 132.936 -21.6215 -9.05435 -107.2 286.21 -153.275 -140.975 PRESSAVG: 3771400 31.313 -34.1119 -19.2898 -34.1119 -62.8559 -36.9773 -19.2898 -36.9773 -1.53567 GPRESSAVG: 3771400 32.3515 -31.9128 -18.5093 -37.7381 -62.1409 -37.7995 -18.8964 -36.6192 -3.09426 TIMING: 3771400 CPU: 11923.1, 0.00314126/step Wall: 11923.1, 0.00314126/step, 1.07204 hours remaining, 239.691406 MB of memory in use. ENERGY: 3771400 3978.2109 20590.8341 14478.7915 280.9481 -203440.9161 2663.4775 0.0000 0.0000 52275.6201 -109173.0339 300.4287 -161448.6540 -108813.8541 300.2854 4.9867 28.1486 762495.6195 -11.0262 -10.9612 PRESSURE: 3771600 -166.207 -46.5035 -13.3529 -46.503 -213.605 82.3335 -13.3524 82.332 57.455 GPRESSURE: 3771600 -113.367 82.2936 34.6215 -8.45717 -139.642 95.9448 -109.004 41.7394 26.899 PRESSAVG: 3771600 45.1292 -23.9666 11.4434 -23.9666 -23.9182 -42.4831 11.4433 -42.4831 12.2873 GPRESSAVG: 3771600 43.8176 -25.5122 12.6702 -21.3285 -23.814 -43.8166 11.6118 -44.5655 13.5779 TIMING: 3771600 CPU: 11923.8, 0.0031337/step Wall: 11923.8, 0.0031337/step, 1.06929 hours remaining, 239.691406 MB of memory in use. ENERGY: 3771600 3960.1625 20481.6548 14493.0644 233.2703 -203172.4741 2590.8425 0.0000 0.0000 52066.1640 -109347.3155 299.2250 -161413.4795 -108985.3468 300.2727 -107.4524 -75.3700 762924.3997 11.1661 11.1938 PRESSURE: 3771800 -12.5546 -393.051 25.6846 -393.05 76.684 -135.772 25.6842 -135.771 194.028 GPRESSURE: 3771800 20.5808 -269.155 -23.13 -187.654 51.0187 -153.406 92.978 -170.576 271.874 PRESSAVG: 3771800 56.2584 27.84 -27.4696 27.8401 2.03595 31.3142 -27.4696 31.3142 -8.79042 GPRESSAVG: 3771800 56.9896 29.3763 -29.5427 27.9991 1.46638 31.9234 -26.9814 31.4616 -9.35488 TIMING: 3771800 CPU: 11924.4, 0.0031278/step Wall: 11924.4, 0.0031278/step, 1.0671 hours remaining, 239.691406 MB of memory in use. ENERGY: 3771800 3975.5121 20598.2047 14545.0750 257.4674 -203419.5025 2672.6159 0.0000 0.0000 51970.0629 -109400.5643 298.6727 -161370.6273 -109042.9123 299.6531 86.0524 114.4911 761551.9493 16.5013 16.3670 PRESSURE: 3772000 -147.898 42.7692 -11.8527 42.7695 40.9958 -66.9768 -11.8519 -66.9766 36.1338 GPRESSURE: 3772000 -59.0403 -35.9628 110.988 -92.4169 44.3678 -114.394 54.2868 -83.8221 28.6952 PRESSAVG: 3772000 28.6681 -51.8486 12.9824 -51.8486 1.90256 -16.0341 12.9823 -16.0342 -6.95431 GPRESSAVG: 3772000 28.9025 -52.8288 14.3356 -54.5345 1.13639 -16.3238 11.3468 -13.7265 -6.72003 TIMING: 3772000 CPU: 11925, 0.00313284/step Wall: 11925, 0.00313284/step, 1.06865 hours remaining, 239.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3772000 3970.8584 20398.1652 14576.1286 249.4530 -203533.0009 2843.0872 0.0000 0.0000 52122.1514 -109373.1570 299.5467 -161495.3084 -109006.9300 299.4516 -23.5896 4.6742 763478.6620 7.8721 7.7729 PRESSURE: 3772200 70.315 -60.7872 -46.2944 -60.7871 -254.286 -117.517 -46.2939 -117.517 -33.0509 GPRESSURE: 3772200 97.965 -74.5535 -72.4133 14.1037 -180.889 -55.1332 -102.194 -199.734 -42.7836 PRESSAVG: 3772200 45.9072 -45.7264 6.6287 -45.7264 -21.1962 -50.352 6.62868 -50.352 -5.78102 GPRESSAVG: 3772200 45.4727 -47.5634 3.51913 -43.1538 -20.5336 -50.6908 8.46292 -51.2262 -6.25252 TIMING: 3772200 CPU: 11925.6, 0.00315989/step Wall: 11925.6, 0.00315989/step, 1.0777 hours remaining, 239.691406 MB of memory in use. ENERGY: 3772200 4088.3297 20449.9444 14539.9149 238.5334 -203189.8685 2498.0019 0.0000 0.0000 52296.2481 -109078.8960 300.5473 -161375.1441 -108714.7913 300.1510 -72.3406 -41.9026 761509.4358 6.3100 6.2289 LDB: ============= START OF LOAD BALANCING ============== 11938 LDB: ============== END OF LOAD BALANCING =============== 11938 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11938 LDB: ============= START OF LOAD BALANCING ============== 11938.4 LDB: Largest compute 7068 load 0.033199 is 16.9% of average load 0.195977 LDB: Average compute 0.004383 is 2.2% of average load 0.195977 LDB: TIME 11938.4 LOAD: AVG 0.195977 MAX 0.217156 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.027 MB LDB: TIME 11938.4 LOAD: AVG 0.195977 MAX 0.217156 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.027 MB LDB: TIME 11938.4 LOAD: AVG 0.195977 MAX 0.217156 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.027 MB LDB: ============== END OF LOAD BALANCING =============== 11938.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11938.4 PRESSURE: 3772400 215.304 -295.116 2.27954 -295.117 252.042 -54.0668 2.27985 -54.0665 22.298 GPRESSURE: 3772400 173.807 -206.472 62.6759 -233.069 342.57 -23.0603 -45.1033 -47.3729 56.9772 PRESSAVG: 3772400 11.9332 -36.8511 -11.6032 -36.8511 -1.08913 -39.3815 -11.6033 -39.3814 18.9797 GPRESSAVG: 3772400 11.0207 -34.7062 -9.8854 -36.7193 0.165665 -40.7912 -12.016 -38.7743 18.5287 TIMING: 3772400 CPU: 11926.3, 0.00321245/step Wall: 11926.3, 0.00321245/step, 1.09544 hours remaining, 238.921875 MB of memory in use. ENERGY: 3772400 4010.6039 20479.9375 14439.5992 232.2133 -203783.7433 2874.2621 0.0000 0.0000 52419.6312 -109327.4961 301.2563 -161747.1273 -108967.8463 300.0989 163.2146 191.1179 760676.7025 9.9413 9.9050 PRESSURE: 3772600 13.8801 205.932 -318.617 205.932 18.0711 -170.9 -318.618 -170.901 67.3034 GPRESSURE: 3772600 120.51 204.238 -341.382 240.824 58.5395 -71.4129 -314.285 -86.5151 23.4208 PRESSAVG: 3772600 58.4432 -20.6421 -1.22109 -20.6421 -47.907 -25.4284 -1.22107 -25.4284 6.08235 GPRESSAVG: 3772600 57.4283 -21.5477 -0.472123 -21.3932 -47.6437 -23.7938 -5.08997 -25.2531 6.49689 TIMING: 3772600 CPU: 11926.9, 0.00315498/step Wall: 11926.9, 0.00315498/step, 1.07567 hours remaining, 238.921875 MB of memory in use. ENERGY: 3772600 3958.8136 20440.3528 14483.9100 249.5764 -203213.6291 2478.8110 0.0000 0.0000 52140.8780 -109461.2874 299.6543 -161602.1654 -109092.2718 299.2579 33.0849 67.4901 760940.1181 5.5395 5.4272 PRESSURE: 3772800 -91.0812 -0.341254 254.749 -0.34127 -421.039 -87.3315 254.749 -87.3309 -425.686 GPRESSURE: 3772800 -50.3579 70.9608 257.174 -35.9867 -372.3 -21.9996 257.152 170.883 -434.192 PRESSAVG: 3772800 32.4383 -7.96147 0.379489 -7.96148 -46.9475 -49.7991 0.379448 -49.799 3.70976 GPRESSAVG: 3772800 33.2145 -5.14689 -1.70041 -9.55568 -48.6416 -49.7514 3.3204 -49.516 4.12398 TIMING: 3772800 CPU: 11927.6, 0.00315041/step Wall: 11927.6, 0.00315041/step, 1.07394 hours remaining, 238.921875 MB of memory in use. ENERGY: 3772800 4009.9574 20396.5317 14615.6113 245.0693 -203336.7834 2391.1086 0.0000 0.0000 52074.3714 -109604.1337 299.2721 -161678.5051 -109242.9252 299.1339 -312.6023 -285.6166 762161.1897 -3.5998 -3.7677 PRESSURE: 3773000 -134.706 -51.0038 207.912 -51.004 -280.515 215.112 207.912 215.111 376.046 GPRESSURE: 3773000 -175.46 37.7393 123.421 18.4742 -160.001 183.344 123.911 103.374 378.089 PRESSAVG: 3773000 18.9861 5.78786 37.7766 5.78783 -47.6533 31.4605 37.7766 31.4606 1.548 GPRESSAVG: 3773000 18.7995 3.91436 39.5285 6.92461 -47.3695 30.9406 36.5568 31.3041 1.54502 TIMING: 3773000 CPU: 11928.2, 0.00312378/step Wall: 11928.2, 0.00312378/step, 1.06469 hours remaining, 238.921875 MB of memory in use. ENERGY: 3773000 3959.8113 20406.1592 14433.7809 258.4017 -203209.8249 2577.8312 0.0000 0.0000 52076.4792 -109497.3614 299.2842 -161573.8406 -109131.5033 298.7625 -13.0582 14.2094 760754.3441 -9.0397 -9.0083 PRESSURE: 3773200 -378.827 -181.764 -132.359 -181.765 -274.326 106.841 -132.358 106.841 308.972 GPRESSURE: 3773200 -301.394 -124.978 -90.7536 -184.432 -269.174 133.839 -88.8698 25.3891 310.814 PRESSAVG: 3773200 13.772 17.1881 -35.1592 17.1881 -8.24131 27.433 -35.1592 27.433 -10.441 GPRESSAVG: 3773200 12.9896 18.041 -36.1519 17.8502 -6.94203 27.7843 -33.8355 24.1954 -11.2532 TIMING: 3773200 CPU: 11928.8, 0.00313763/step Wall: 11928.8, 0.00313763/step, 1.06924 hours remaining, 238.921875 MB of memory in use. ENERGY: 3773200 4064.1228 20451.8264 14439.4050 231.6605 -203098.5572 2271.5642 0.0000 0.0000 51988.3386 -109651.6395 298.7777 -161639.9782 -109295.6482 298.7888 -114.7268 -86.5847 760841.7218 -1.6367 -1.7352 PRESSURE: 3773400 427.765 -95.8454 78.0059 -95.8444 31.1548 -240.882 78.0048 -240.884 187.263 GPRESSURE: 3773400 472.712 -34.0827 143.289 -111.194 117.486 -189.338 30.5071 -171.165 143.666 PRESSAVG: 3773400 21.2504 44.8413 30.2592 44.8413 -46.4332 -2.79816 30.2592 -2.7982 -19.6986 GPRESSAVG: 3773400 22.7063 43.2632 31.0325 44.8618 -48.9748 -3.14398 30.6496 0.378746 -18.9625 TIMING: 3773400 CPU: 11929.4, 0.00313549/step Wall: 11929.4, 0.00313549/step, 1.06833 hours remaining, 238.921875 MB of memory in use. ENERGY: 3773400 4016.0062 20410.6345 14461.6637 226.6194 -203616.4145 2795.8908 0.0000 0.0000 52016.1606 -109689.4392 298.9376 -161705.5998 -109328.1828 298.9064 215.3943 244.6213 760290.9729 -14.9604 -15.0770 PRESSURE: 3773600 -293.233 -126.279 -212.472 -126.279 -202.282 -38.3424 -212.472 -38.3421 147.505 GPRESSURE: 3773600 -238.668 -42.741 -212.871 -151.106 -187.187 -23.2636 -116.613 -142.591 147.379 PRESSAVG: 3773600 55.9131 60.054 -2.46582 60.054 -39.9086 -27.4466 -2.46588 -27.4466 -4.86093 GPRESSAVG: 3773600 55.4764 60.7833 -1.95849 58.5882 -39.3768 -27.1553 -5.27329 -29.2331 -5.24247 TIMING: 3773600 CPU: 11930.1, 0.00315238/step Wall: 11930.1, 0.00315238/step, 1.07391 hours remaining, 238.921875 MB of memory in use. ENERGY: 3773600 3867.7760 20445.1536 14466.7978 241.3348 -203480.2546 2423.9054 0.0000 0.0000 52203.7526 -109831.5345 300.0157 -162035.2871 -109472.9136 298.8764 -116.0031 -92.8256 761038.7455 3.7145 3.6190 PRESSURE: 3773800 125.667 -215.826 -253.027 -215.827 130.968 -185.263 -253.028 -185.262 -390.041 GPRESSURE: 3773800 112.145 -128.607 -288.486 -220.215 200.29 -217.6 -308.031 -124.498 -364.955 PRESSAVG: 3773800 15.6244 -84.131 -2.81834 -84.131 -19.0522 -26.9573 -2.81834 -26.9574 -3.02698 GPRESSAVG: 3773800 14.3768 -85.0601 -3.78844 -84.5021 -17.8663 -25.9778 -0.959015 -27.5534 -2.91797 TIMING: 3773800 CPU: 11930.7, 0.00313155/step Wall: 11930.7, 0.00313155/step, 1.06664 hours remaining, 238.921875 MB of memory in use. ENERGY: 3773800 3925.0147 20444.2194 14442.2458 257.5297 -203287.8958 2104.7129 0.0000 0.0000 52021.7658 -110092.4074 298.9698 -162114.1733 -109722.8885 298.3369 -44.4690 -17.5065 759013.1632 -2.1516 -2.1358 PRESSURE: 3774000 147.427 -168.012 134.569 -168.011 -116.389 266.188 134.569 266.189 -69.6676 GPRESSURE: 3774000 88.1315 -189.949 104.407 -56.3744 -75.3891 273.62 23.3994 189.667 -4.91822 PRESSAVG: 3774000 -37.608 -15.4221 -17.4669 -15.4221 42.6512 31.2755 -17.4669 31.2754 19.5987 GPRESSAVG: 3774000 -36.5535 -16.8557 -17.266 -13.4575 41.1198 30.5657 -18.7164 31.6009 19.885 TIMING: 3774000 CPU: 11931.3, 0.00313711/step Wall: 11931.3, 0.00313711/step, 1.06836 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3774000 3962.8351 20474.1672 14512.8839 239.4272 -203645.0321 2518.2967 0.0000 0.0000 51884.0744 -110053.3476 298.1785 -161937.4219 -109693.1911 298.2186 -12.8764 2.6081 759867.3067 8.2140 8.1504 PRESSURE: 3774200 430.101 -158.016 51.2681 -158.016 277.262 162.438 51.2679 162.438 382.313 GPRESSURE: 3774200 419.482 32.4585 -27.8011 -180.399 407.999 135.334 81.0599 284.074 355.841 PRESSAVG: 3774200 38.9719 -36.2991 -12.2039 -36.2991 -37.5831 -37.612 -12.2039 -37.6118 3.84683 GPRESSAVG: 3774200 38.5082 -33.3404 -13.5427 -35.8987 -36.0355 -38.8884 -11.4712 -34.6735 2.63873 TIMING: 3774200 CPU: 11931.9, 0.00316697/step Wall: 11931.9, 0.00316698/step, 1.07836 hours remaining, 238.921875 MB of memory in use. ENERGY: 3774200 3975.3909 20369.8513 14476.9330 264.4514 -203808.1706 2820.8795 0.0000 0.0000 51968.6400 -109932.0245 298.6645 -161900.6645 -109572.6630 298.1067 363.2252 394.4406 759663.5591 1.7452 1.7038 PRESSURE: 3774400 -375.531 -66.5736 -0.964087 -66.5733 -359.771 -144.336 -0.964472 -144.336 -117.019 GPRESSURE: 3774400 -321.595 -226.405 -41.1132 -14.3074 -311.893 -119.739 -21.4363 -120.896 -130.319 PRESSAVG: 3774400 -5.59131 -39.4548 -41.9223 -39.4548 0.739259 -12.3535 -41.9222 -12.3536 5.08793 GPRESSAVG: 3774400 -4.08712 -40.1474 -40.9227 -41.21 -1.01859 -10.8696 -41.0178 -14.0914 5.22468 TIMING: 3774400 CPU: 11932.6, 0.00315897/step Wall: 11932.6, 0.00315897/step, 1.07545 hours remaining, 238.921875 MB of memory in use. ENERGY: 3774400 4026.3862 20527.9986 14472.6530 262.6529 -203574.6910 2476.5156 0.0000 0.0000 51845.6906 -109962.7939 297.9579 -161808.4846 -109613.4862 298.3325 -284.1069 -254.6024 759761.8782 0.0786 0.0397 PRESSURE: 3774600 204.63 188.886 146.459 188.887 -422.158 -6.81328 146.459 -6.81413 -299.292 GPRESSURE: 3774600 169.273 130.6 229.195 178.055 -298.41 -36.5952 218.727 -29.6106 -306.771 PRESSAVG: 3774600 91.5685 -10.9918 -57.025 -10.9919 -98.5935 -45.6595 -57.0249 -45.6595 28.6301 GPRESSAVG: 3774600 88.6955 -11.0386 -56.717 -10.6258 -97.1237 -45.2888 -57.0136 -46.6198 30.0191 TIMING: 3774600 CPU: 11933.2, 0.00318799/step Wall: 11933.2, 0.00318799/step, 1.08516 hours remaining, 238.921875 MB of memory in use. ENERGY: 3774600 4055.4246 20539.3769 14482.6945 253.9864 -203778.2158 2504.3498 0.0000 0.0000 51735.6947 -110206.6890 297.3257 -161942.3837 -109836.1241 298.3186 -172.2735 -145.3030 760252.4436 7.2017 7.1970 PRESSURE: 3774800 20.2857 97.6378 -167.264 97.638 -460.301 -141.744 -167.264 -141.744 106.815 GPRESSURE: 3774800 65.4454 20.9549 -161.033 111.091 -510.515 -114.864 -160.914 -83.8855 200.942 PRESSAVG: 3774800 58.9115 26.9495 3.18227 26.9496 -61.4945 -7.9738 3.18234 -7.97378 32.7633 GPRESSAVG: 3774800 61.396 26.9482 3.09342 27.6777 -63.2487 -8.52066 2.2536 -7.23215 32.0028 TIMING: 3774800 CPU: 11933.9, 0.00317235/step Wall: 11933.9, 0.00317235/step, 1.07966 hours remaining, 238.921875 MB of memory in use. ENERGY: 3774800 3972.8413 20523.6673 14519.8924 246.5664 -204063.4070 2710.2521 0.0000 0.0000 51906.7412 -110183.4462 298.3088 -162090.1874 -109826.5617 297.9758 -111.0668 -81.3757 761658.5270 10.0601 10.0500 PRESSURE: 3775000 -228.391 -20.0068 -31.6534 -20.007 -361.951 -15.7679 -31.6532 -15.7671 29.5857 GPRESSURE: 3775000 -202.113 -0.703575 -131.361 -64.998 -310.466 -99.7897 -10.82 -96.4269 20.4867 PRESSAVG: 3775000 25.2006 15.9884 -21.6554 15.9883 -44.4887 -52.3907 -21.6554 -52.3907 -13.5681 GPRESSAVG: 3775000 24.7329 15.439 -23.1503 16.0832 -42.9946 -53.5067 -21.883 -52.6203 -14.5122 TIMING: 3775000 CPU: 11934.5, 0.00316327/step Wall: 11934.5, 0.00316327/step, 1.07639 hours remaining, 238.921875 MB of memory in use. ENERGY: 3775000 3983.5909 20583.5653 14418.9866 243.9546 -203837.2348 2609.2695 0.0000 0.0000 51827.3186 -110170.5494 297.8523 -161997.8679 -109804.1296 298.3402 -186.9187 -164.0306 760238.0871 -10.9521 -10.9246 PRESSURE: 3775200 -314.478 96.2279 190.829 96.2286 -66.4803 -243.561 190.829 -243.562 -480.038 GPRESSURE: 3775200 -276.689 41.9582 40.9164 112.443 -28.2733 -196.103 113.202 -205.655 -482.194 PRESSAVG: 3775200 0.194528 10.8728 -39.609 10.8728 -0.133942 -76.9241 -39.609 -76.9241 3.08324 GPRESSAVG: 3775200 -0.89949 12.1119 -38.7187 9.5275 -1.04373 -76.094 -38.0734 -76.3112 4.98767 TIMING: 3775200 CPU: 11935.1, 0.00316735/step Wall: 11935.1, 0.00316735/step, 1.0776 hours remaining, 238.921875 MB of memory in use. ENERGY: 3775200 4087.4887 20553.9234 14386.5887 257.7121 -203833.7312 2587.1582 0.0000 0.0000 52013.9101 -109946.9501 298.9247 -161960.8601 -109589.9632 298.6442 -286.9990 -262.3854 761410.1085 1.0479 1.0148 PRESSURE: 3775400 191.474 -84.0255 -79.7862 -84.0257 17.0556 -41.6523 -79.7864 -41.6519 49.318 GPRESSURE: 3775400 229.443 -155.911 -137.045 -137.785 12.0627 42.2746 -143.905 7.8286 109.693 PRESSAVG: 3775400 43.1651 -6.30656 -50.6803 -6.30656 -61.5305 -8.06212 -50.6802 -8.0621 -3.50887 GPRESSAVG: 3775400 44.2443 -9.23893 -49.6245 -5.5817 -62.6737 -7.70804 -50.7097 -9.14549 -3.98524 TIMING: 3775400 CPU: 11935.8, 0.00317914/step Wall: 11935.8, 0.00317914/step, 1.08144 hours remaining, 238.921875 MB of memory in use. ENERGY: 3775400 3994.9340 20591.8005 14423.8457 241.3404 -203733.6336 2769.5881 0.0000 0.0000 51815.2754 -109896.8496 297.7831 -161712.1250 -109539.4858 298.7114 85.9492 117.0663 761020.7228 -7.2914 -7.4715 PRESSURE: 3775600 57.6876 119.489 111.28 119.49 285.662 89.3592 111.281 89.3595 36.1404 GPRESSURE: 3775600 151.29 131.373 220.323 28.4796 237.004 176.55 118.962 -50.4464 90.1986 PRESSAVG: 3775600 23.1671 -5.25812 -11.0684 -5.25803 -55.0742 -23.9437 -11.0684 -23.9436 -5.75636 GPRESSAVG: 3775600 21.3166 -3.41861 -11.4402 -4.81967 -53.7814 -23.5197 -14.1677 -24.7012 -5.71367 TIMING: 3775600 CPU: 11936.4, 0.00318711/step Wall: 11936.4, 0.00318712/step, 1.08397 hours remaining, 238.921875 MB of memory in use. ENERGY: 3775600 4007.7157 20514.9811 14454.5521 263.8978 -203816.5653 2953.8247 0.0000 0.0000 52017.5907 -109604.0033 298.9458 -161621.5940 -109243.0873 298.6078 126.4966 159.4975 762008.9469 -12.5545 -12.7262 PRESSURE: 3775800 318.972 -94.6375 -80.2874 -94.637 230.421 170.356 -80.2872 170.356 -193.934 GPRESSURE: 3775800 370.633 -114.963 142.029 -153.999 172.364 102.436 -100.557 105.576 -107.141 PRESSAVG: 3775800 18.0277 -7.66797 -9.34543 -7.66795 -34.4459 -27.2261 -9.34538 -27.226 -5.64538 GPRESSAVG: 3775800 18.1062 -8.17905 -8.39957 -7.14254 -35.1348 -26.1486 -6.4868 -25.5886 -4.80056 TIMING: 3775800 CPU: 11937, 0.00320248/step Wall: 11937, 0.00320248/step, 1.08902 hours remaining, 238.921875 MB of memory in use. ENERGY: 3775800 3948.7614 20561.8089 14487.8052 240.6247 -203347.6639 2577.8641 0.0000 0.0000 52074.5309 -109456.2686 299.2730 -161530.7996 -109087.9546 299.4859 118.4863 145.2852 759660.3852 -7.3545 -7.2764 PRESSURE: 3776000 -310.998 108.081 184.591 108.081 -1.90364 261.684 184.591 261.683 -131.86 GPRESSURE: 3776000 -261.127 102.866 32.6736 156.005 -26.3616 276.264 168.42 96.8648 -77.2866 PRESSAVG: 3776000 1.38729 -35.3523 13.752 -35.3523 9.17315 6.05032 13.7521 6.05037 9.66453 GPRESSAVG: 3776000 1.45134 -35.6771 12.7501 -37.076 8.80747 6.10422 12.0321 3.73181 9.96081 TIMING: 3776000 CPU: 11937.7, 0.00318926/step Wall: 11937.7, 0.00318926/step, 1.08435 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3776000 3914.0661 20520.7646 14469.7814 234.2999 -203223.2893 2196.3353 0.0000 0.0000 52242.9250 -109645.1171 300.2408 -161888.0422 -109276.5373 299.3469 -148.2540 -121.5916 761135.0610 6.7417 6.7399 PRESSURE: 3776200 -144.575 -61.8032 -67.091 -61.8034 -251.346 -70.7986 -67.0912 -70.7989 -357.859 GPRESSURE: 3776200 -106.982 -56.2514 -72.055 -29.0178 -253.943 -81.544 -80.1544 -61.4888 -303.664 PRESSAVG: 3776200 7.17369 -46.2852 33.8049 -46.2852 -33.3921 -12.4808 33.805 -12.4808 -8.77563 GPRESSAVG: 3776200 7.8175 -47.3112 34.4869 -45.5728 -32.3117 -12.9474 35.4717 -9.45492 -10.379 TIMING: 3776200 CPU: 11938.3, 0.00317946/step Wall: 11938.3, 0.00317946/step, 1.08084 hours remaining, 238.921875 MB of memory in use. ENERGY: 3776200 4057.5297 20546.1044 14441.9467 251.0423 -203466.4362 2539.3215 0.0000 0.0000 52134.7143 -109495.7773 299.6189 -161630.4916 -109133.4449 299.1624 -251.2599 -221.5296 762583.9637 -11.6647 -11.6244 LDB: ============= START OF LOAD BALANCING ============== 11950.7 LDB: ============== END OF LOAD BALANCING =============== 11950.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11950.7 LDB: ============= START OF LOAD BALANCING ============== 11951 LDB: Largest compute 7068 load 0.035498 is 18.1% of average load 0.196110 LDB: Average compute 0.004379 is 2.2% of average load 0.196110 LDB: TIME 11951 LOAD: AVG 0.19611 MAX 0.21403 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.141 MB LDB: TIME 11951 LOAD: AVG 0.19611 MAX 0.21403 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.215 MB LDB: TIME 11951 LOAD: AVG 0.19611 MAX 0.21403 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.215 MB LDB: ============== END OF LOAD BALANCING =============== 11951 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11951 PRESSURE: 3776400 -241.756 -169.121 24.3898 -169.122 -190.021 13.3602 24.3906 13.3604 -245.255 GPRESSURE: 3776400 -146.342 -86.6829 3.33449 -146.891 -170.879 -7.88045 32.3636 61.5734 -251.96 PRESSAVG: 3776400 -14.9642 -54.0283 -11.3442 -54.0284 9.12744 21.4093 -11.3442 21.4093 15.0103 GPRESSAVG: 3776400 -13.4845 -51.7086 -12.5735 -55.8988 7.4957 19.7847 -11.3928 20.4617 15.2418 TIMING: 3776400 CPU: 11939, 0.00325909/step Wall: 11939, 0.00325909/step, 1.10773 hours remaining, 238.867188 MB of memory in use. ENERGY: 3776400 4029.3292 20626.9297 14401.9288 232.8742 -203162.2503 2337.0008 0.0000 0.0000 51884.1371 -109650.0504 298.1788 -161534.1876 -109286.8282 298.9972 -225.6775 -189.7271 761519.3240 3.0578 3.0843 PRESSURE: 3776600 14.7712 -211.305 -28.523 -211.305 100.141 -67.379 -28.523 -67.3775 -321.406 GPRESSURE: 3776600 -59.1668 -229.562 -129.345 -207.485 199.975 -87.1699 -35.5782 -69.1674 -258.836 PRESSAVG: 3776600 -26.4159 -38.3004 18.4119 -38.3004 -1.21988 2.28323 18.4119 2.28315 10.096 GPRESSAVG: 3776600 -27.2217 -39.8053 18.0382 -36.4003 0.292555 4.38133 16.4406 4.78603 9.60863 TIMING: 3776600 CPU: 11939.6, 0.00318114/step Wall: 11939.6, 0.00318114/step, 1.08106 hours remaining, 239.070312 MB of memory in use. ENERGY: 3776600 4020.6733 20580.4676 14458.2587 258.9838 -203473.6045 2465.9204 0.0000 0.0000 51994.6430 -109694.6575 298.8139 -161689.3006 -109335.6291 298.7814 -68.8314 -39.3425 761770.1616 -5.8466 -5.7735 PRESSURE: 3776800 96.5252 16.4347 203.048 16.4337 -168.067 -104.595 203.049 -104.594 -500.683 GPRESSURE: 3776800 102.607 -116.238 244.456 71.6957 -97.905 -133.436 141.105 -29.866 -473.678 PRESSAVG: 3776800 -52.3267 -40.4756 9.16732 -40.4756 34.7429 -4.08961 9.16737 -4.08968 -10.958 GPRESSAVG: 3776800 -51.8269 -39.1155 9.01358 -41.9668 34.7804 -5.8247 11.4432 -6.90758 -11.0578 TIMING: 3776800 CPU: 11940.2, 0.00315901/step Wall: 11940.2, 0.00315901/step, 1.07336 hours remaining, 239.070312 MB of memory in use. ENERGY: 3776800 3994.2688 20475.9532 14469.0291 238.1308 -203234.6969 2369.0574 0.0000 0.0000 52028.3037 -109659.9539 299.0074 -161688.2576 -109293.6990 298.7886 -190.7417 -156.3252 762654.1946 -9.5140 -9.3681 PRESSURE: 3777000 -28.8828 -6.52405 77.4222 -6.5246 441.441 156.012 77.4227 156.012 175.455 GPRESSURE: 3777000 75.4439 -79.7605 169.073 -33.9148 370.579 114.459 -96.7582 110.797 217.424 PRESSAVG: 3777000 -39.351 -28.299 30.1794 -28.299 7.69628 20.9693 30.1794 20.9692 -10.9013 GPRESSAVG: 3777000 -37.6702 -29.6479 31.0958 -27.5874 6.44645 22.9118 29.0169 22.036 -11.687 TIMING: 3777000 CPU: 11940.9, 0.00316018/step Wall: 11940.9, 0.00316018/step, 1.07358 hours remaining, 239.070312 MB of memory in use. ENERGY: 3777000 3955.9589 20703.2012 14386.6205 241.7075 -203542.7685 2896.4864 0.0000 0.0000 51841.5994 -109517.1947 297.9344 -161358.7940 -109162.1611 299.1635 196.0043 221.1488 762062.8355 -14.1854 -14.3036 PRESSURE: 3777200 -482.306 -68.2359 -40.897 -68.2367 128.302 184.736 -40.8971 184.736 -377.744 GPRESSURE: 3777200 -345.069 -116.062 -134.99 -64.5274 105.021 165.307 99.5914 62.1695 -407.572 PRESSAVG: 3777200 -41.7573 -2.40069 33.7479 -2.40074 54.885 -22.4838 33.7478 -22.4838 18.7739 GPRESSAVG: 3777200 -43.3335 -1.90555 31.9234 -1.55334 55.9983 -22.4348 34.8248 -23.6921 19.7177 TIMING: 3777200 CPU: 11941.5, 0.00314088/step Wall: 11941.5, 0.00314088/step, 1.06685 hours remaining, 239.070312 MB of memory in use. ENERGY: 3777200 4062.7731 20478.8615 14441.2625 249.1267 -203288.4908 2503.6002 0.0000 0.0000 52109.7614 -109443.1054 299.4755 -161552.8668 -109082.7016 299.5243 -243.9162 -215.8733 761045.9261 10.6339 10.7941 PRESSURE: 3777400 -122.632 -173.8 129.225 -173.8 -94.5021 -92.8343 129.225 -92.8335 82.5736 GPRESSURE: 3777400 -61.6253 3.18451 139.847 -203.793 -69.9935 -169.87 157.471 -36.4126 94.177 PRESSAVG: 3777400 -11.1281 -22.8147 19.8866 -22.8147 30.7026 -3.90285 19.8866 -3.90287 2.16284 GPRESSAVG: 3777400 -10.6582 -22.4635 21.7508 -23.1979 30.0587 -5.8312 19.5517 -4.38344 2.22909 TIMING: 3777400 CPU: 11942.1, 0.0031617/step Wall: 11942.1, 0.0031617/step, 1.07375 hours remaining, 239.070312 MB of memory in use. ENERGY: 3777400 3974.6559 20689.2531 14350.3348 254.2010 -203048.0103 2345.3483 0.0000 0.0000 52004.8054 -109429.4117 298.8723 -161434.2171 -109071.3873 299.8164 -44.8535 -12.4806 761195.8769 7.2458 7.2099 PRESSURE: 3777600 -267.541 157.393 198.709 157.393 -494.217 -107.787 198.711 -107.788 -5.6823 GPRESSURE: 3777600 -153.228 157.627 220.299 165.219 -460.162 -3.0551 36.4409 -25.6043 -59.144 PRESSAVG: 3777600 -22.4364 -63.0826 30.2863 -63.0825 -2.57831 1.52958 30.2863 1.52953 4.27016 GPRESSAVG: 3777600 -23.1851 -65.2133 30.4647 -61.7233 -1.93148 3.67009 28.8126 4.80991 3.9815 TIMING: 3777600 CPU: 11942.8, 0.00317726/step Wall: 11942.8, 0.00317726/step, 1.07886 hours remaining, 239.070312 MB of memory in use. ENERGY: 3777600 4015.5052 20445.3718 14462.7081 262.6297 -203077.3483 2366.2847 0.0000 0.0000 52018.0804 -109506.7685 298.9486 -161524.8489 -109138.7861 299.4368 -255.8136 -224.1782 763244.5344 -6.9149 -7.0450 PRESSURE: 3777800 9.31228 97.0937 -242.929 97.0932 -161.023 -175.509 -242.929 -175.509 -62.8064 GPRESSURE: 3777800 -26.0869 37.9353 -177.047 37.6261 -60.7875 -228.37 -317.246 -185.863 -27.3131 PRESSAVG: 3777800 53.1215 -62.5092 -4.61735 -62.5092 -34.3549 17.3346 -4.61738 17.3346 8.67279 GPRESSAVG: 3777800 52.2723 -60.6396 -4.88197 -64.721 -34.5849 17.4092 -4.2628 13.9135 9.66817 TIMING: 3777800 CPU: 11943.4, 0.00318547/step Wall: 11943.4, 0.00318547/step, 1.08147 hours remaining, 239.070312 MB of memory in use. ENERGY: 3777800 3946.8229 20404.1542 14529.5952 240.3822 -202855.6543 2268.8703 0.0000 0.0000 52015.2495 -109450.5800 298.9324 -161465.8295 -109083.6429 299.3805 -71.5056 -38.0625 760750.5161 9.1464 9.1185 PRESSURE: 3778000 -186.55 -359.669 -101.306 -359.668 -88.0981 -186.774 -101.307 -186.775 -478.702 GPRESSURE: 3778000 -69.8649 -209.756 -72.8802 -315.375 -112.389 -184.828 -94.6894 -133.715 -466.4 PRESSAVG: 3778000 91.785 -33.2797 -28.6089 -33.2797 -66.6691 -47.1633 -28.6089 -47.1633 -19.3447 GPRESSAVG: 3778000 93.627 -34.3893 -29.7722 -34.0007 -67.6407 -49.1861 -27.1429 -45.5426 -19.9664 TIMING: 3778000 CPU: 11944, 0.00317074/step Wall: 11944, 0.00317074/step, 1.07629 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3778000 4049.1221 20554.3113 14553.8218 239.1687 -202778.1549 1959.5961 0.0000 0.0000 52153.4895 -109268.6455 299.7268 -161422.1350 -108904.4559 299.9734 -251.1168 -216.2178 759116.2460 1.9237 2.0066 PRESSURE: 3778200 -85.0472 351.555 207.359 351.555 11.2379 225.75 207.359 225.751 -134.625 GPRESSURE: 3778200 -47.8327 294.373 158.912 189.427 37.2089 293.923 -8.30712 117.782 -140.05 PRESSAVG: 3778200 11.9326 -13.2759 -11.845 -13.2759 1.49302 -27.622 -11.845 -27.622 13.5184 GPRESSAVG: 3778200 11.9192 -11.8061 -11.3021 -12.6974 0.921231 -27.4836 -13.6221 -26.9615 14.0201 TIMING: 3778200 CPU: 11944.7, 0.00314167/step Wall: 11944.7, 0.00314167/step, 1.06625 hours remaining, 239.070312 MB of memory in use. ENERGY: 3778200 4093.3542 20599.5429 14481.1260 235.8271 -203415.1995 2683.8948 0.0000 0.0000 52118.1179 -109203.3365 299.5235 -161321.4544 -108834.6485 300.2330 -69.4781 -50.2245 760561.2518 8.9814 8.9535 PRESSURE: 3778400 65.0263 184.208 37.0152 184.208 -139.387 -265.429 37.0155 -265.429 -188.691 GPRESSURE: 3778400 113.775 142.519 79.9421 139.874 -126.054 -246.752 0.742031 -341.202 -184.247 PRESSAVG: 3778400 23.1717 2.14398 15.9475 2.14397 -0.756595 43.1385 15.9475 43.1384 14.5444 GPRESSAVG: 3778400 22.4792 1.33846 16.7783 3.17096 1.04858 45.1698 14.5629 41.3995 13.1156 TIMING: 3778400 CPU: 11945.3, 0.00317086/step Wall: 11945.3, 0.00317086/step, 1.07598 hours remaining, 239.070312 MB of memory in use. ENERGY: 3778400 4021.0417 20577.8121 14383.0387 290.4855 -203241.7756 2619.1887 0.0000 0.0000 52355.6522 -108994.5567 300.8887 -161350.2089 -108624.7791 300.3497 -87.6839 -65.5087 762217.2868 12.3198 12.2145 PRESSURE: 3778600 -104.406 -1.72715 38.829 -1.72673 -36.5651 121.388 38.8298 121.387 285.102 GPRESSURE: 3778600 -10.8148 -55.6518 21.3903 43.1999 -14.454 210.464 175.779 143.598 244.813 PRESSAVG: 3778600 47.149 -16.7378 27.1776 -16.7378 -68.0155 -8.42177 27.1776 -8.42177 -19.0384 GPRESSAVG: 3778600 47.4171 -15.8569 26.2091 -16.7302 -69.1445 -10.607 30.8353 -9.1325 -18.1903 TIMING: 3778600 CPU: 11945.9, 0.00312832/step Wall: 11945.9, 0.00312832/step, 1.06137 hours remaining, 239.070312 MB of memory in use. ENERGY: 3778600 3987.4280 20682.4778 14413.3225 239.6052 -203458.2809 2772.3340 0.0000 0.0000 52291.9631 -109071.1503 300.5226 -161363.1133 -108698.6607 299.9606 48.0435 73.1814 762537.2626 -13.3016 -13.3059 PRESSURE: 3778800 499.634 130.249 -145.196 130.25 422.803 54.4797 -145.196 54.4808 -255.729 GPRESSURE: 3778800 544.956 20.0566 -181.846 55.3246 467.23 -20.8088 -101.167 141.569 -277.158 PRESSAVG: 3778800 13.8899 19.1558 18.6065 19.1558 -15.1293 7.8787 18.6064 7.87869 16.8773 GPRESSAVG: 3778800 14.2759 20.6223 17.3406 18.2194 -15.0501 9.77291 18.4085 8.04117 15.5422 TIMING: 3778800 CPU: 11946.5, 0.00313433/step Wall: 11946.5, 0.00313433/step, 1.06324 hours remaining, 239.070312 MB of memory in use. ENERGY: 3778800 3969.8115 20697.2629 14441.8796 263.6009 -203965.7996 3187.4048 0.0000 0.0000 52293.5434 -109112.2965 300.5317 -161405.8398 -108740.1339 300.4211 222.2362 245.0094 761244.4891 5.2126 4.9226 PRESSURE: 3779000 -80.1812 -32.6743 -175.719 -32.674 -35.5111 -76.2733 -175.719 -76.2742 126.543 GPRESSURE: 3779000 -42.7938 -108.951 -103.36 -34.9498 -78.1499 -87.4046 -138.647 -85.1195 216.549 PRESSAVG: 3779000 34.9586 -56.0574 1.73379 -56.0574 2.17271 -19.6295 1.73379 -19.6295 -2.98073 GPRESSAVG: 3779000 33.2823 -59.9765 3.66957 -56.2247 4.92604 -19.9888 1.50653 -18.3354 -3.69897 TIMING: 3779000 CPU: 11947.2, 0.00313154/step Wall: 11947.2, 0.00313154/step, 1.06211 hours remaining, 239.070312 MB of memory in use. ENERGY: 3779000 4076.6227 20706.2195 14441.7564 230.2488 -203451.5362 2523.0925 0.0000 0.0000 52353.0473 -109120.5490 300.8737 -161473.5963 -108753.5698 300.0930 3.6170 31.8683 761094.2014 11.3835 11.5031 PRESSURE: 3779200 -144.319 -21.6448 181.096 -21.6455 -222.568 148.538 181.097 148.538 55.0908 GPRESSURE: 3779200 -107.168 46.4941 178.012 62.1103 -111.704 186.902 41.5502 95.873 -4.70935 PRESSAVG: 3779200 13.9777 -37.0714 46.5582 -37.0714 -32.7405 -17.9541 46.5582 -17.954 -17.3014 GPRESSAVG: 3779200 14.1165 -35.13 45.2812 -36.2466 -34.4653 -18.2249 45.6302 -16.7819 -16.0657 TIMING: 3779200 CPU: 11947.8, 0.00313057/step Wall: 11947.8, 0.00313057/step, 1.06161 hours remaining, 239.070312 MB of memory in use. ENERGY: 3779200 4002.4728 20503.4692 14471.4490 262.7061 -203246.2993 2493.7454 0.0000 0.0000 52324.2075 -109188.2493 300.7079 -161512.4568 -108811.0814 300.1069 -103.9321 -74.5271 761777.3203 -12.0214 -12.1381 PRESSURE: 3779400 246.792 -78.9459 -60.4071 -78.9465 86.1113 -257.907 -60.4082 -257.907 247.989 GPRESSURE: 3779400 302.588 -103.611 -101.749 -1.11426 153.969 -279.053 63.2701 -186.008 217.357 PRESSAVG: 3779400 50.9534 19.4108 16.7409 19.4108 -43.6787 -19.1205 16.7408 -19.1204 18.0649 GPRESSAVG: 3779400 49.765 20.31 17.9699 17.1667 -43.8616 -18.8476 15.3796 -17.8007 19.4599 TIMING: 3779400 CPU: 11948.4, 0.00312588/step Wall: 11948.4, 0.00312588/step, 1.05985 hours remaining, 239.070312 MB of memory in use. ENERGY: 3779400 4014.9351 20556.8792 14477.3831 262.3825 -203565.1800 2988.2775 0.0000 0.0000 52093.8970 -109171.4256 299.3843 -161265.3226 -108808.2326 299.9939 193.6306 224.6383 763846.2414 8.4465 8.4544 PRESSURE: 3779600 123.671 -134.928 205.175 -134.929 -80.6992 184.684 205.175 184.685 38.2631 GPRESSURE: 3779600 165.878 -31.7839 231.39 -148.486 -98.6239 145.57 288.986 80.9472 91.9669 PRESSAVG: 3779600 24.0159 9.84542 13.8557 9.84542 4.18599 22.5739 13.8557 22.5738 9.94273 GPRESSAVG: 3779600 24.8148 7.34347 12.6879 11.767 4.16238 22.7461 17.5004 20.2056 9.35003 TIMING: 3779600 CPU: 11949, 0.00312381/step Wall: 11949, 0.00312381/step, 1.05897 hours remaining, 239.070312 MB of memory in use. ENERGY: 3779600 3943.4225 20400.1516 14486.8986 257.4958 -203499.7449 2853.8844 0.0000 0.0000 52233.1450 -109324.7470 300.1846 -161557.8919 -108968.7203 299.8430 27.0782 53.0738 761326.2328 12.7149 12.7757 PRESSURE: 3779800 -91.6814 -77.5409 -86.3911 -77.5402 -225.321 -137.423 -86.3918 -137.425 540.612 GPRESSURE: 3779800 -62.6596 -84.2083 -50.0465 -69.4903 -85.0207 -133.214 -187.252 -137.831 463.494 PRESSAVG: 3779800 70.4745 -64.3461 73.7328 -64.3461 -28.0101 49.286 73.7328 49.2859 16.4431 GPRESSAVG: 3779800 71.0898 -63.8117 75.6787 -63.8413 -27.0699 50.6198 71.7174 50.6704 14.8317 TIMING: 3779800 CPU: 11949.7, 0.00312104/step Wall: 11949.7, 0.00312104/step, 1.05786 hours remaining, 239.070312 MB of memory in use. ENERGY: 3779800 3947.7594 20568.4420 14433.4785 255.8083 -203184.3978 2393.8976 0.0000 0.0000 52228.3950 -109356.6171 300.1573 -161585.0121 -108991.9558 300.0050 74.5366 105.2713 760718.5236 19.6358 19.6172 PRESSURE: 3780000 -66.8736 -316.7 -4.89137 -316.7 -138.809 116.718 -4.89028 116.718 -164.151 GPRESSURE: 3780000 -136.795 -364.274 40.0315 -224.228 -126.793 200.35 -57.7144 66.5235 -17.1127 PRESSAVG: 3780000 56.3801 -29.1686 -68.6944 -29.1685 -54.4775 43.3746 -68.6944 43.3747 24.1784 GPRESSAVG: 3780000 55.7552 -27.5692 -69.9985 -30.8934 -54.8576 43.027 -69.4014 40.6889 25.7859 TIMING: 3780000 CPU: 11950.3, 0.00314087/step Wall: 11950.3, 0.00314087/step, 1.06441 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3780000 3982.2334 20658.2594 14501.7076 246.1259 -203127.0883 2450.7046 0.0000 0.0000 51932.1461 -109355.9113 298.4548 -161288.0574 -109006.8193 299.5667 -123.2778 -93.5670 762230.4585 8.6937 8.8945 PRESSURE: 3780200 280.226 115.633 227.243 115.633 165.35 5.75996 227.243 5.76049 -303.093 GPRESSURE: 3780200 211.115 59.2468 174.453 35.9306 278.549 14.7375 196.209 -23.0668 -259.19 PRESSAVG: 3780200 -32.9746 -43.227 51.7026 -43.2269 -12.8955 23.2308 51.7027 23.2308 33.3306 GPRESSAVG: 3780200 -32.6866 -45.4215 51.1935 -40.6343 -13.1394 21.1812 50.6475 24.3354 32.6888 TIMING: 3780200 CPU: 11950.9, 0.00318146/step Wall: 11950.9, 0.00318146/step, 1.07798 hours remaining, 239.070312 MB of memory in use. ENERGY: 3780200 4043.4850 20572.8828 14466.2882 259.9262 -203362.1299 2776.9929 0.0000 0.0000 51889.2904 -109353.2645 298.2085 -161242.5549 -108992.4580 299.1610 47.4945 76.8245 763015.5511 -4.1798 -4.3791 LDB: ============= START OF LOAD BALANCING ============== 11963.3 LDB: ============== END OF LOAD BALANCING =============== 11963.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11963.3 LDB: ============= START OF LOAD BALANCING ============== 11963.7 LDB: Largest compute 7068 load 0.034778 is 17.7% of average load 0.196018 LDB: Average compute 0.004390 is 2.2% of average load 0.196018 LDB: TIME 11963.7 LOAD: AVG 0.196018 MAX 0.216116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.195 MB LDB: TIME 11963.7 LOAD: AVG 0.196018 MAX 0.216116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.289 MB LDB: TIME 11963.7 LOAD: AVG 0.196018 MAX 0.216116 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.289 MB LDB: ============== END OF LOAD BALANCING =============== 11963.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11963.7 PRESSURE: 3780400 78.7785 13.3832 195.693 13.3836 -178.648 140.937 195.692 140.938 -157.66 GPRESSURE: 3780400 25.9389 -40.3885 162.682 16.11 -22.1869 140.297 249.676 76.7231 -184.276 PRESSAVG: 3780400 -15.7851 -29.2909 33.0458 -29.2909 31.6118 53.4572 33.0458 53.4572 8.57836 GPRESSAVG: 3780400 -17.5102 -29.5743 33.7918 -31.7359 33.0384 54.5851 34.0641 53.5773 8.90973 TIMING: 3780400 CPU: 11951.6, 0.0032543/step Wall: 11951.6, 0.0032543/step, 1.10249 hours remaining, 238.867188 MB of memory in use. ENERGY: 3780400 3983.6207 20457.9053 14489.7874 260.0559 -202907.5428 2520.6044 0.0000 0.0000 51847.4190 -109348.1501 297.9678 -161195.5690 -108992.3515 299.1860 -85.8431 -60.1746 763123.7700 8.1350 8.1460 PRESSURE: 3780600 93.2292 -98.0354 -74.0082 -98.0359 130.321 135.687 -74.009 135.687 -206.443 GPRESSURE: 3780600 151.174 -127.36 -75.3828 -36.8463 207.743 211.432 -81.8347 114.318 -243.462 PRESSAVG: 3780600 9.48592 -24.9187 25.2264 -24.9187 -10.0137 10.5338 25.2265 10.5339 5.68348 GPRESSAVG: 3780600 11.9115 -23.8936 25.1423 -24.5918 -11.9281 11.3736 23.9825 11.3997 4.99112 TIMING: 3780600 CPU: 11952.2, 0.00316593/step Wall: 11952.2, 0.00316593/step, 1.07237 hours remaining, 239.070312 MB of memory in use. ENERGY: 3780600 3982.1004 20617.3305 14460.6758 246.2285 -203465.5824 2777.9316 0.0000 0.0000 52172.8179 -109208.4977 299.8379 -161381.3155 -108840.1890 299.5275 5.7022 38.4852 762072.9427 1.7186 1.6582 PRESSURE: 3780800 -197.915 -24.0141 -50.7614 -24.014 -152.164 89.421 -50.7606 89.4208 153.559 GPRESSURE: 3780800 -177.239 50.7535 39.0323 -105.33 -52.6126 138.803 -149.137 65.0849 143.745 PRESSAVG: 3780800 -64.2749 2.55918 12.0713 2.55922 44.4987 24.727 12.0713 24.727 -3.6625 GPRESSAVG: 3780800 -64.2612 2.76645 12.1324 2.66702 45.0232 23.0571 13.1714 23.9267 -4.22989 TIMING: 3780800 CPU: 11952.8, 0.00316099/step Wall: 11952.8, 0.00316099/step, 1.07052 hours remaining, 239.070312 MB of memory in use. ENERGY: 3780800 3966.1072 20843.1789 14423.5664 237.8045 -203017.5078 2497.6626 0.0000 0.0000 51958.4748 -109090.7134 298.6061 -161049.1882 -108733.2814 299.7458 -65.5064 -28.7022 762924.4681 -7.8129 -7.8226 PRESSURE: 3781000 444.413 -124.24 216.138 -124.239 283.068 -41.4114 216.139 -41.4114 131.381 GPRESSURE: 3781000 493.658 4.21446 248.972 -104.591 231.098 33.3721 166.016 -43.9631 202.945 PRESSAVG: 3781000 35.7324 -22.33 75.4438 -22.33 -9.77282 18.3254 75.4438 18.3254 -18.4292 GPRESSAVG: 3781000 35.0395 -22.2852 75.8005 -22.0776 -10.2323 19.5287 74.6003 18.8091 -17.589 TIMING: 3781000 CPU: 11953.5, 0.00316345/step Wall: 11953.5, 0.00316345/step, 1.07118 hours remaining, 239.070312 MB of memory in use. ENERGY: 3781000 3977.0944 20511.1710 14483.3475 249.0182 -203344.1237 2738.8722 0.0000 0.0000 52321.2003 -109063.4201 300.6907 -161384.6204 -108696.0360 299.9714 286.2874 309.2335 761608.7203 2.5101 2.4061 PRESSURE: 3781200 -591.625 41.6797 -83.0393 41.6797 159.784 20.7306 -83.0384 20.7303 -52.7366 GPRESSURE: 3781200 -514.127 -37.44 -89.8419 148.065 205.304 -52.7453 53.4925 -25.671 -104.749 PRESSAVG: 3781200 -37.1004 8.73475 -24.6386 8.73475 -4.19562 -45.3425 -24.6386 -45.3426 -10.6108 GPRESSAVG: 3781200 -37.2591 9.97295 -24.292 9.8438 -4.43951 -45.3829 -24.1978 -45.3673 -10.4897 TIMING: 3781200 CPU: 11954.1, 0.00314102/step Wall: 11954.1, 0.00314102/step, 1.06341 hours remaining, 239.070312 MB of memory in use. ENERGY: 3781200 3932.1533 20732.5079 14491.2339 250.8122 -202940.0069 2348.7487 0.0000 0.0000 52023.7993 -109160.7516 298.9815 -161184.5509 -108808.1848 299.9882 -161.5260 -137.8570 762674.9015 -17.3023 -17.3961 PRESSURE: 3781400 -178.371 12.4809 -40.9367 12.4815 -250.605 -24.1552 -40.9364 -24.1557 69.5341 GPRESSURE: 3781400 -167.287 -57.9018 -64.1136 -45.8428 -231.003 -7.54288 -36.3294 0.317662 126.292 PRESSAVG: 3781400 3.26433 -38.5964 34.277 -38.5964 -13.4505 29.8158 34.2771 29.8158 -5.4207 GPRESSAVG: 3781400 1.75632 -42.5084 33.5454 -39.804 -13.3995 28.9605 34.0169 30.3004 -3.90883 TIMING: 3781400 CPU: 11954.7, 0.00313271/step Wall: 11954.7, 0.00313271/step, 1.06042 hours remaining, 239.070312 MB of memory in use. ENERGY: 3781400 4023.3836 20448.0868 14427.1574 247.0682 -202912.9876 2393.3813 0.0000 0.0000 52122.7726 -109251.1376 299.5503 -161373.9102 -108885.8170 299.8324 -119.8138 -90.6659 762167.7247 -5.2023 -5.1840 PRESSURE: 3781600 -77.9933 135.398 87.8184 135.398 -109.174 57.8984 87.8186 57.8989 0.213886 GPRESSURE: 3781600 1.68283 48.664 129.047 97.3845 -112.981 56.654 134.278 -0.158447 11.4173 PRESSAVG: 3781600 5.92899 -4.83636 3.29685 -4.83643 35.6194 -38.3936 3.29685 -38.3936 24.0351 GPRESSAVG: 3781600 6.77819 -3.47314 3.19278 -5.71195 36.3869 -38.7671 4.0421 -37.7748 22.5393 TIMING: 3781600 CPU: 11955.4, 0.00313942/step Wall: 11955.4, 0.00313942/step, 1.06252 hours remaining, 239.070312 MB of memory in use. ENERGY: 3781600 4005.1403 20545.7890 14341.4841 254.1627 -203230.3204 2519.7321 0.0000 0.0000 52433.4324 -109130.5797 301.3357 -161564.0122 -108764.9292 299.9847 -62.3180 -33.2938 761599.2211 21.8612 21.9015 PRESSURE: 3781800 -40.616 -96.4264 -14.5139 -96.428 -207.425 124.003 -14.514 124.003 80.055 GPRESSURE: 3781800 -19.3479 -19.6198 -41.5188 -48.1552 -161.33 102.142 -44.657 84.2446 90.6585 PRESSAVG: 3781800 38.1804 -6.97935 -25.1589 -6.97938 -21.2746 -30.5807 -25.1589 -30.5807 14.8267 GPRESSAVG: 3781800 37.7913 -5.84189 -25.3801 -6.92564 -22.102 -29.5579 -25.3893 -29.7541 15.9487 TIMING: 3781800 CPU: 11956, 0.00314735/step Wall: 11956, 0.00314735/step, 1.06503 hours remaining, 239.070312 MB of memory in use. ENERGY: 3781800 4004.4298 20565.6104 14445.4454 251.4901 -203309.2979 2572.3907 0.0000 0.0000 52194.6221 -109275.3094 299.9632 -161469.9316 -108905.0823 299.8993 -55.9953 -30.0065 761027.1342 10.5775 10.5460 PRESSURE: 3782000 111.706 -11.2722 -208.244 -11.2719 -222.273 82.4321 -208.244 82.4323 18.5429 GPRESSURE: 3782000 136.922 -65.6755 -215.989 -58.8166 -132.236 33.1878 -239.541 109.241 6.51562 PRESSAVG: 3782000 10.21 -20.8584 -1.97001 -20.8584 -19.9694 1.2498 -1.97002 1.24984 20.7235 GPRESSAVG: 3782000 10.2378 -20.1751 -2.84572 -22.485 -19.0481 0.472411 -2.76552 1.66116 19.6606 TIMING: 3782000 CPU: 11956.6, 0.00315148/step Wall: 11956.6, 0.00315148/step, 1.06625 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3782000 3976.5562 20514.5057 14466.1046 247.0593 -202982.3032 2516.9555 0.0000 0.0000 52124.6030 -109136.5190 299.5608 -161261.1219 -108771.9439 299.8528 -30.6747 3.7339 761468.3036 3.6547 3.6168 PRESSURE: 3782200 -274.555 -98.409 -82.2215 -98.4094 163.496 -27.9864 -82.2216 -27.9859 21.9898 GPRESSURE: 3782200 -173.824 -106.769 -16.9123 -78.1291 105.254 -82.1347 -147.852 -158.48 84.326 PRESSAVG: 3782200 -14.7713 -92.9377 5.56172 -92.9378 18.571 -5.91835 5.56164 -5.91824 31.0252 GPRESSAVG: 3782200 -14.1162 -93.1998 7.03254 -92.9161 17.598 -5.78487 5.08412 -9.31949 31.535 TIMING: 3782200 CPU: 11957.3, 0.00315936/step Wall: 11957.3, 0.00315936/step, 1.06874 hours remaining, 239.070312 MB of memory in use. ENERGY: 3782200 4008.4316 20520.1855 14438.5585 252.8398 -203482.7652 2744.9282 0.0000 0.0000 52418.4326 -109099.3889 301.2495 -161517.8215 -108729.4500 300.1451 -29.6895 5.2518 762722.2753 11.6083 11.6723 PRESSURE: 3782400 326.817 -166.65 -230.049 -166.65 -26.0635 39.5077 -230.047 39.5081 115.754 GPRESSURE: 3782400 351.733 -202.704 -220.646 -35.3474 -69.8473 53.2175 -105.238 135.884 214.881 PRESSAVG: 3782400 -3.32419 -14.3129 -40.4045 -14.3129 -18.2761 36.8457 -40.4044 36.8456 7.87897 GPRESSAVG: 3782400 -3.63003 -13.8856 -41.129 -14.5319 -17.8351 37.5111 -40.7998 39.3919 7.73726 TIMING: 3782400 CPU: 11957.9, 0.00313995/step Wall: 11957.9, 0.00313995/step, 1.062 hours remaining, 239.070312 MB of memory in use. ENERGY: 3782400 4017.7778 20705.4340 14439.3367 254.7881 -203810.7540 3027.4452 0.0000 0.0000 52003.6407 -109362.3315 298.8656 -161365.9721 -109007.0659 299.7725 138.8359 165.5887 759908.8010 -4.5738 -4.5760 PRESSURE: 3782600 -77.1029 192.958 -65.4919 192.959 256.661 -129.868 -65.4917 -129.868 174.412 GPRESSURE: 3782600 -1.55887 245.71 -14.0453 74.2012 286.904 -85.3712 -98.0989 -118.867 139.705 PRESSAVG: 3782600 6.88871 30.54 -42.7831 30.54 -17.2186 85.8673 -42.7831 85.8672 -31.0625 GPRESSAVG: 3782600 6.53037 28.6728 -42.2482 32.6775 -17.3498 86.7381 -41.9479 86.2778 -30.7285 TIMING: 3782600 CPU: 11958.5, 0.00315965/step Wall: 11958.5, 0.00315965/step, 1.06849 hours remaining, 239.070312 MB of memory in use. ENERGY: 3782600 4007.0743 20515.0275 14377.0699 238.8527 -203347.9538 2583.3581 0.0000 0.0000 51906.5990 -109719.9722 298.3079 -161626.5712 -109350.3716 299.4010 117.9899 141.6834 760781.4272 -13.7975 -13.8493 PRESSURE: 3782800 25.6309 -142.612 62.4153 -142.612 81.6271 33.9845 62.4154 33.9843 -759.143 GPRESSURE: 3782800 46.4159 -73.8037 99.4168 -70.6987 81.0546 -15.2652 -63.7086 109.495 -694.737 PRESSAVG: 3782800 19.6017 -27.6988 -43.6858 -27.6988 -67.0291 28.1692 -43.6858 28.1693 9.45037 GPRESSAVG: 3782800 20.2577 -26.1821 -44.2658 -29.5352 -66.6059 27.5666 -44.3971 27.6557 8.45281 TIMING: 3782800 CPU: 11959.1, 0.00314442/step Wall: 11959.1, 0.00314442/step, 1.06316 hours remaining, 239.070312 MB of memory in use. ENERGY: 3782800 3876.5173 20516.5029 14363.7852 256.0937 -203254.1093 2402.1959 0.0000 0.0000 52037.3428 -109801.6715 299.0593 -161839.0143 -109438.1948 299.0089 -217.2952 -189.0888 759506.2567 -12.6590 -12.6318 PRESSURE: 3783000 3.32446 -138.526 -136.757 -138.525 116.908 6.98379 -136.757 6.98509 -80.0022 GPRESSURE: 3783000 152.665 -256.118 -170.185 54.0169 105.006 -33.3859 -64.9927 38.952 -122.139 PRESSAVG: 3783000 23.7707 -42.5762 -0.612566 -42.5762 20.3688 26.3556 -0.612576 26.3556 -34.2156 GPRESSAVG: 3783000 23.0466 -43.0322 -2.07995 -40.4662 20.3602 26.0571 2.32935 27.8651 -33.0808 TIMING: 3783000 CPU: 11959.8, 0.00318001/step Wall: 11959.8, 0.00318001/step, 1.07502 hours remaining, 239.070312 MB of memory in use. ENERGY: 3783000 4031.5614 20517.1774 14438.1822 264.3204 -203517.2295 2489.3958 0.0000 0.0000 52023.0008 -109753.5916 298.9769 -161776.5924 -109373.3232 298.8816 13.4102 45.1771 761271.9308 3.3080 3.4420 PRESSURE: 3783200 79.3625 -67.1792 61.5852 -67.1786 9.6785 110.313 61.5846 110.312 -310.358 GPRESSURE: 3783200 -0.867653 -197.231 -29.4622 -127.884 109.242 130.28 -43.8706 10.3488 -217.959 PRESSAVG: 3783200 9.52921 28.0106 -21.396 28.0107 1.76711 5.75074 -21.396 5.75074 -1.10607 GPRESSAVG: 3783200 9.21803 28.021 -20.4708 26.921 2.27069 5.0126 -22.6121 4.19608 -1.42348 TIMING: 3783200 CPU: 11960.4, 0.00314985/step Wall: 11960.4, 0.00314985/step, 1.06465 hours remaining, 239.070312 MB of memory in use. ENERGY: 3783200 3945.1201 20636.4585 14428.4607 237.1925 -203868.4183 2614.8947 0.0000 0.0000 51984.3397 -110021.9521 298.7547 -162006.2918 -109655.9850 298.9609 -73.7724 -36.5283 760516.5193 3.3968 3.3551 PRESSURE: 3783400 -214.367 24.5865 -115.177 24.586 -110.833 -30.0291 -115.176 -30.0289 -289.395 GPRESSURE: 3783400 -184.528 149.342 -170.13 -28.7289 -180.045 50.0231 -101.484 18.9301 -173.417 PRESSAVG: 3783400 41.171 -17.9448 -5.88169 -17.9448 2.18466 -54.7669 -5.88164 -54.767 -7.97523 GPRESSAVG: 3783400 41.3921 -16.5967 -5.13332 -19.2109 2.12834 -52.571 -6.7026 -55.5728 -7.5144 TIMING: 3783400 CPU: 11961, 0.00314579/step Wall: 11961, 0.00314579/step, 1.0631 hours remaining, 239.070312 MB of memory in use. ENERGY: 3783400 4011.3762 20544.6316 14406.8547 247.4697 -203734.1731 2668.9764 0.0000 0.0000 52021.9441 -109832.9204 298.9708 -161854.8645 -109475.6265 298.8544 -204.8650 -179.3299 762301.3760 11.7935 12.0020 PRESSURE: 3783600 -10.0173 -103.696 21.087 -103.697 -189.733 -15.557 21.0875 -15.5575 -130.068 GPRESSURE: 3783600 26.0172 -89.4688 -59.5787 -12.8464 -206.026 83.2097 31.6262 -88.7683 -96.3389 PRESSAVG: 3783600 2.43293 -36.0536 -15.3268 -36.0536 32.613 4.32995 -15.3267 4.32992 1.35509e-05 GPRESSAVG: 3783600 2.03109 -36.5567 -14.5503 -35.6126 33.0371 3.26602 -16.6634 3.55299 -0.174109 TIMING: 3783600 CPU: 11961.7, 0.00316275/step Wall: 11961.7, 0.00316275/step, 1.06866 hours remaining, 239.070312 MB of memory in use. ENERGY: 3783600 4011.5530 20583.4081 14405.0830 253.6791 -203601.9155 2632.2107 0.0000 0.0000 51950.6583 -109765.3232 298.5611 -161715.9815 -109406.8850 298.7358 -109.9395 -92.1158 762341.3950 11.6820 11.6314 PRESSURE: 3783800 200.688 150.341 196.424 150.342 -16.8964 -107.661 196.424 -107.661 122 GPRESSURE: 3783800 225.239 199.319 80.0944 58.3962 -5.30478 -66.8133 157.842 -73.9289 176.751 PRESSAVG: 3783800 12.0206 -40.8287 -9.13086 -40.8287 -21.7558 57.8898 -9.13085 57.8898 2.24265 GPRESSAVG: 3783800 12.1776 -40.6289 -10.7892 -41.4666 -20.9052 59.5653 -7.50044 56.7212 1.85501 TIMING: 3783800 CPU: 11962.3, 0.00315128/step Wall: 11962.3, 0.00315128/step, 1.06461 hours remaining, 239.070312 MB of memory in use. ENERGY: 3783800 4007.6555 20543.9116 14401.6965 257.8052 -203436.9959 2617.0657 0.0000 0.0000 51859.5868 -109749.2744 298.0378 -161608.8612 -109388.0109 298.4526 101.9307 132.2284 762668.7989 -2.4975 -2.2909 PRESSURE: 3784000 -58.3588 -48.0742 48.3371 -48.0742 -218.707 -36.2851 48.3375 -36.2851 -163.632 GPRESSURE: 3784000 -104.25 -2.60468 -15.7243 84.0962 -161.75 -58.6645 29.4003 -102.704 -91.2841 PRESSAVG: 3784000 11.3699 15.7074 28.8169 15.7074 35.5409 73.3768 28.8169 73.3768 -15.5063 GPRESSAVG: 3784000 12.4345 12.8096 28.1199 16.9344 34.109 71.9762 27.8016 73.4605 -14.9382 TIMING: 3784000 CPU: 11962.9, 0.00317228/step Wall: 11962.9, 0.00317228/step, 1.07153 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3784000 3964.6582 20563.9269 14424.2487 268.8877 -203608.9926 2678.1192 0.0000 0.0000 52156.1074 -109553.0446 299.7419 -161709.1520 -109185.3283 298.9771 -146.8990 -119.0949 763618.4425 10.4682 10.5351 PRESSURE: 3784200 185.992 -77.3837 -43.2248 -77.3837 -279.262 27.9862 -43.2245 27.986 -24.2272 GPRESSURE: 3784200 235.09 -97.5336 86.4619 -48.9847 -257.25 69.2391 -42.3544 5.82887 -6.89706 PRESSAVG: 3784200 -5.46828 9.30247 8.1851 9.30244 1.75156 -3.9409 8.18517 -3.94092 -9.78067 GPRESSAVG: 3784200 -5.85988 11.1105 9.82224 9.55859 2.30304 -4.01008 9.82602 -1.50407 -10.2963 TIMING: 3784200 CPU: 11963.6, 0.0031401/step Wall: 11963.6, 0.0031401/step, 1.06048 hours remaining, 239.070312 MB of memory in use. ENERGY: 3784200 4014.3148 20532.3911 14472.0121 256.4988 -203750.2651 2687.6711 0.0000 0.0000 52211.2938 -109576.0833 300.0590 -161787.3772 -109204.0617 299.1751 -39.1657 -9.6856 762979.4320 -4.4991 -4.6177 LDB: ============= START OF LOAD BALANCING ============== 11976 LDB: ============== END OF LOAD BALANCING =============== 11976 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11976 LDB: ============= START OF LOAD BALANCING ============== 11976.3 LDB: Largest compute 7068 load 0.032540 is 16.6% of average load 0.195997 LDB: Average compute 0.004407 is 2.2% of average load 0.195997 LDB: TIME 11976.3 LOAD: AVG 0.195997 MAX 0.213203 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 11976.3 LOAD: AVG 0.195997 MAX 0.213203 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.426 MB LDB: TIME 11976.3 LOAD: AVG 0.195997 MAX 0.213203 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.426 MB LDB: ============== END OF LOAD BALANCING =============== 11976.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11976.3 PRESSURE: 3784400 135.826 -88.5912 -33.6777 -88.5906 62.1375 -147.927 -33.677 -147.927 -75.3751 GPRESSURE: 3784400 148.249 -46.948 -42.5206 -64.0775 76.1307 -287.839 112.204 -103.406 -6.65501 PRESSAVG: 3784400 29.8473 -9.06816 -21.4083 -9.06817 -44.7538 -1.25196 -21.4083 -1.25195 10.221 GPRESSAVG: 3784400 29.5675 -8.94179 -20.3367 -7.24148 -43.8096 -1.21659 -20.4854 -2.61285 10.1541 TIMING: 3784400 CPU: 11964.2, 0.00320619/step Wall: 11964.2, 0.00320619/step, 1.08262 hours remaining, 237.843750 MB of memory in use. ENERGY: 3784400 3984.6920 20546.3598 14564.1425 254.3549 -203857.7617 2840.5255 0.0000 0.0000 51864.1038 -109803.5832 298.0637 -161667.6870 -109439.3862 298.9536 40.8627 72.5747 761949.1613 -1.5618 -1.3627 PRESSURE: 3784600 89.1139 -132.483 39.0311 -132.483 32.2481 58.0983 39.0308 58.099 -63.7866 GPRESSURE: 3784600 119.733 0.719889 7.46026 -166.833 -6.37425 83.2374 -33.7138 158.573 33.2159 PRESSAVG: 3784600 -18.9645 42.3604 20.9488 42.3604 5.5395 21.4189 20.9488 21.4189 -1.09462 GPRESSAVG: 3784600 -19.818 45.4331 18.176 40.6467 5.85038 21.3348 16.828 20.815 0.157705 TIMING: 3784600 CPU: 11964.8, 0.0031276/step Wall: 11964.8, 0.0031276/step, 1.05591 hours remaining, 238.046875 MB of memory in use. ENERGY: 3784600 3960.4032 20618.5311 14410.0931 216.3874 -203595.0437 2675.4072 0.0000 0.0000 51930.2439 -109783.9778 298.4438 -161714.2217 -109421.1696 298.3428 19.1918 48.8582 762975.6037 -4.8399 -4.6033 PRESSURE: 3784800 -255.958 -77.8642 -79.258 -77.8652 -518.843 110.389 -79.2571 110.389 -237.201 GPRESSURE: 3784800 -298.601 -52.994 -84.0406 -96.5339 -411.43 58.836 52.5209 178.919 -219.961 PRESSAVG: 3784800 36.4761 7.53784 30.3101 7.53781 -48.3571 0.0312377 30.31 0.0312081 0.322714 GPRESSAVG: 3784800 37.2625 6.40452 30.2305 7.94448 -48.6443 0.945592 33.2468 0.58812 -0.160261 TIMING: 3784800 CPU: 11965.5, 0.00311923/step Wall: 11965.5, 0.00311924/step, 1.05292 hours remaining, 238.046875 MB of memory in use. ENERGY: 3784800 3944.8996 20525.6386 14472.2326 237.1790 -203660.4631 2649.9000 0.0000 0.0000 51842.1741 -109988.4393 297.9377 -161830.6134 -109622.0704 298.1788 -337.3343 -309.9973 762228.9942 -3.8527 -3.8473 PRESSURE: 3785000 13.116 38.9878 -187.469 38.9882 -46.5255 9.48262 -187.469 9.48266 -15.3334 GPRESSURE: 3785000 52.4439 95.4373 -251.042 173.256 -49.7211 -21.8793 -202.581 -105.248 42.4597 PRESSAVG: 3785000 20.5195 94.2663 -23.0201 94.2663 -52.6378 7.34357 -23.0201 7.3436 4.44746 GPRESSAVG: 3785000 21.0574 94.5996 -20.7457 94.5726 -53.0536 7.82942 -24.5282 7.09355 4.36087 TIMING: 3785000 CPU: 11966.1, 0.00315281/step Wall: 11966.1, 0.00315281/step, 1.06407 hours remaining, 238.046875 MB of memory in use. ENERGY: 3785000 4034.2711 20592.1144 14500.8577 249.9424 -203700.5577 2736.4692 0.0000 0.0000 51617.2422 -109969.6607 296.6450 -161586.9029 -109618.6439 297.8188 -16.2476 15.0609 762407.9339 -9.2236 -9.2118 PRESSURE: 3785200 -47.5151 70.9909 -155.602 70.9899 -151.622 37.9505 -155.601 37.9502 171.745 GPRESSURE: 3785200 54.5947 28.8704 -58.7267 40.2806 -77.4021 57.1436 -84.0813 19.1867 85.3016 PRESSAVG: 3785200 29.0928 61.8139 -19.4633 61.8139 -30.4161 -31.5865 -19.4633 -31.5865 11.9692 GPRESSAVG: 3785200 29.2107 61.9666 -21.0884 61.3686 -30.8052 -32.3911 -19.6813 -31.3952 11.9135 TIMING: 3785200 CPU: 11966.7, 0.00316105/step Wall: 11966.7, 0.00316105/step, 1.06668 hours remaining, 238.046875 MB of memory in use. ENERGY: 3785200 3924.2826 20585.4589 14429.6236 245.8519 -203568.3942 2725.5051 0.0000 0.0000 51946.2431 -109711.4290 298.5358 -161657.6721 -109352.2406 298.8086 -9.1307 20.8314 761204.4142 3.5486 3.4397 PRESSURE: 3785400 -66.7549 245.179 -172.502 245.179 76.6999 154.742 -172.501 154.741 -380.949 GPRESSURE: 3785400 39.8517 131.086 -233.336 95.1618 116.049 201.483 -182.357 127.047 -441.763 PRESSAVG: 3785400 36.192 -1.67523 -13.2517 -1.67531 4.12409 -8.43261 -13.2517 -8.43263 -21.0295 GPRESSAVG: 3785400 35.911 -3.5494 -13.0208 -1.99452 4.12502 -8.9725 -12.2105 -7.71033 -21.0337 TIMING: 3785400 CPU: 11967.3, 0.00314401/step Wall: 11967.3, 0.00314401/step, 1.06076 hours remaining, 238.046875 MB of memory in use. ENERGY: 3785400 3920.8967 20534.6835 14385.0438 246.8950 -203470.6016 2353.4773 0.0000 0.0000 52113.4126 -109916.1928 299.4965 -162029.6054 -109561.9980 298.7246 -123.6678 -95.2878 761003.9176 6.4289 6.3341 PRESSURE: 3785600 127.183 64.9389 51.9255 64.9386 -20.248 -211.03 51.9254 -211.03 149.421 GPRESSURE: 3785600 136.79 -0.775268 60.2115 -6.93048 40.156 -179.286 -20.1768 -208.523 141.379 PRESSAVG: 3785600 -39.1704 10.9521 15.1724 10.9521 15.2628 20.0909 15.1724 20.0909 -4.31168 GPRESSAVG: 3785600 -38.8489 11.2884 17.2653 12.5498 14.3528 20.2746 15.3747 20.7484 -4.23675 TIMING: 3785600 CPU: 11968, 0.00314777/step Wall: 11968, 0.00314777/step, 1.06185 hours remaining, 238.046875 MB of memory in use. ENERGY: 3785600 3926.4924 20458.2529 14452.9563 223.2514 -203709.0863 2665.1798 0.0000 0.0000 51882.5563 -110100.3972 298.1698 -161982.9536 -109724.6599 298.5123 85.4519 106.1086 759688.7764 -9.4064 -9.5776 PRESSURE: 3785800 116.678 -29.1263 60.2056 -29.1269 -175.148 25.5323 60.2051 25.5329 -81.3391 GPRESSURE: 3785800 1.89659 50.8205 92.2736 -44.0563 -16.8399 -25.0772 57.6872 85.783 -35.4542 PRESSAVG: 3785800 -45.9491 -27.5116 36.2761 -27.5116 -1.5624 -14.9651 36.2762 -14.9651 -10.7797 GPRESSAVG: 3785800 -46.5401 -26.7564 35.5132 -28.6397 -0.745531 -15.4057 35.4468 -16.6298 -11.1468 TIMING: 3785800 CPU: 11968.6, 0.00318749/step Wall: 11968.6, 0.00318749/step, 1.07507 hours remaining, 238.046875 MB of memory in use. ENERGY: 3785800 3911.0084 20465.5834 14436.3124 239.0076 -204005.6779 2946.7955 0.0000 0.0000 51939.4832 -110067.4875 298.4969 -162006.9707 -109699.4001 297.8623 -46.6031 -16.7992 759748.9876 -19.4304 -19.4774 PRESSURE: 3786000 229.427 -23.4086 114.271 -23.4085 240.856 -16.98 114.272 -16.9795 -151.343 GPRESSURE: 3786000 318.151 -42.2146 53.3851 159.415 244.181 37.1851 110.654 -63.7236 -161.944 PRESSAVG: 3786000 -28.523 1.58045 37.2055 1.58042 57.3379 -49.7791 37.2055 -49.7791 -1.79615 GPRESSAVG: 3786000 -28.5304 1.90166 34.4376 2.00466 57.377 -48.9429 36.2051 -49.7272 -1.73335 TIMING: 3786000 CPU: 11969.2, 0.00317565/step Wall: 11969.2, 0.00317565/step, 1.0709 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3786000 3833.5710 20390.4430 14523.1306 243.6181 -204102.9450 2898.6565 0.0000 0.0000 52016.7181 -110196.8079 298.9408 -162213.5260 -109831.4982 298.0923 106.3133 133.4628 760411.9173 9.0062 9.0378 PRESSURE: 3786200 -4.1978 430.702 -215.386 430.703 39.7679 22.5442 -215.385 22.5445 118.036 GPRESSURE: 3786200 86.1095 446.461 -231.979 485.83 50.2131 -9.31894 -132.772 58.0868 102.37 PRESSAVG: 3786200 -22.1279 5.21286 -31.4582 5.21287 3.34723 -14.1884 -31.4581 -14.1884 13.9813 GPRESSAVG: 3786200 -21.9026 4.38799 -30.5073 5.7894 2.46828 -14.6329 -28.2457 -13.1911 14.3502 TIMING: 3786200 CPU: 11969.9, 0.00316459/step Wall: 11969.9, 0.00316459/step, 1.06699 hours remaining, 238.046875 MB of memory in use. ENERGY: 3786200 3940.5207 20457.9607 14387.3286 250.0817 -203851.8679 2641.5320 0.0000 0.0000 52055.6295 -110118.8146 299.1644 -162174.4441 -109765.4368 298.1749 51.2022 79.5643 761104.3962 -1.5998 -1.6947 PRESSURE: 3786400 -284.976 -88.323 -220.649 -88.3227 -266.78 143.534 -220.65 143.533 -175.231 GPRESSURE: 3786400 -230.751 -67.8811 -284.953 -3.84906 -231.25 99.0664 -193.485 80.9581 -172.055 PRESSAVG: 3786400 -3.06114 32.5581 13.2788 32.5581 2.71253 19.4905 13.2788 19.4905 22.7423 GPRESSAVG: 3786400 -1.86962 32.9542 14.5342 31.996 2.34557 20.0295 10.1564 19.243 21.9529 TIMING: 3786400 CPU: 11970.5, 0.00315463/step Wall: 11970.5, 0.00315463/step, 1.06346 hours remaining, 238.046875 MB of memory in use. ENERGY: 3786400 4023.8093 20768.7371 14388.5866 227.1507 -203679.0166 2630.0037 0.0000 0.0000 51860.8725 -109779.8568 298.0451 -161640.7292 -109427.2709 298.8457 -242.3288 -211.3521 761413.5023 7.4646 7.4763 PRESSURE: 3786600 280.386 381.444 203.572 381.444 483.216 35.9054 203.572 35.9051 210.569 GPRESSURE: 3786600 329.282 392.935 197.924 284.29 448.211 50.2665 168.715 -111.772 272.06 PRESSAVG: 3786600 34.0422 48.506 21.6436 48.5059 45.5404 7.19996 21.6436 7.19997 -18.8163 GPRESSAVG: 3786600 31.7085 49.4364 20.777 47.8017 47.3597 6.9042 23.834 6.84683 -18.3766 TIMING: 3786600 CPU: 11971.1, 0.00315633/step Wall: 11971.1, 0.00315633/step, 1.06386 hours remaining, 238.046875 MB of memory in use. ENERGY: 3786600 4013.3362 20605.2714 14424.5744 233.1803 -204063.6917 2763.8219 0.0000 0.0000 52237.3449 -109786.1625 300.2087 -162023.5075 -109417.0931 298.7707 324.7237 349.8510 757806.6079 20.2555 20.2305 PRESSURE: 3786800 83.1516 41.6257 9.70497 41.6255 115.525 -0.960373 9.70513 -0.960239 108.458 GPRESSURE: 3786800 61.4859 25.8049 -26.2553 66.5845 228.998 23.9124 108.609 10.675 97.5181 PRESSAVG: 3786800 -80.1875 66.8325 6.44854 66.8324 32.5834 1.53459 6.44854 1.53455 -5.95603 GPRESSAVG: 3786800 -78.2292 66.8751 6.83603 67.2727 30.831 2.76365 6.44867 -0.459258 -6.20376 TIMING: 3786800 CPU: 11971.8, 0.00314105/step Wall: 11971.8, 0.00314105/step, 1.05853 hours remaining, 238.046875 MB of memory in use. ENERGY: 3786800 4012.7382 20585.1557 14418.6688 227.8150 -203867.6824 2708.7890 0.0000 0.0000 52040.5008 -109874.0149 299.0775 -161914.5158 -109497.6853 299.0575 102.3782 129.3340 760214.0022 -17.8534 -17.8673 PRESSURE: 3787000 -136.902 -154.467 -191.101 -154.468 -503.791 -215.024 -191.101 -215.024 -45.9938 GPRESSURE: 3787000 -196.21 -162.609 -154.386 -181.649 -329.906 -315.242 -192.953 -135.466 -81.3001 PRESSAVG: 3787000 -18.5031 -15.0638 -13.5771 -15.0638 41.0889 -27.7252 -13.5771 -27.7252 -5.41729 GPRESSAVG: 3787000 -19.5845 -15.437 -13.6366 -14.6626 41.5486 -28.2046 -15.205 -25.6895 -4.71849 TIMING: 3787000 CPU: 11972.4, 0.00313585/step Wall: 11972.4, 0.00313585/step, 1.05661 hours remaining, 238.046875 MB of memory in use. ENERGY: 3787000 3897.4074 20663.0580 14391.2861 268.0938 -202649.7491 1970.9385 0.0000 0.0000 51664.5042 -109794.4610 296.9166 -161458.9652 -109431.0984 298.8350 -228.8957 -202.4720 762628.7151 5.7228 5.7485 PRESSURE: 3787200 95.5132 -103.075 -7.74388 -103.076 90.8871 284.354 -7.74443 284.353 168.596 GPRESSURE: 3787200 231.24 -149.068 -26.4858 -195.197 29.7488 302.974 -84.6991 214.275 168.422 PRESSAVG: 3787200 10.8457 -7.09895 7.43888 -7.09898 20.6007 5.83918 7.4388 5.83918 16.5698 GPRESSAVG: 3787200 8.96324 -9.03848 7.3537 -6.70992 21.1129 3.77263 8.32808 5.74615 17.4637 TIMING: 3787200 CPU: 11973, 0.00314425/step Wall: 11973, 0.00314425/step, 1.05926 hours remaining, 238.046875 MB of memory in use. ENERGY: 3787200 3959.0965 20356.0631 14450.7294 249.2973 -203500.8073 2690.3565 0.0000 0.0000 52055.3426 -109739.9220 299.1628 -161795.2646 -109371.4313 298.6889 118.3320 143.1369 761288.4983 16.0054 15.8466 PRESSURE: 3787400 -184.347 -197.902 -170.418 -197.903 -157.546 110.561 -170.418 110.56 -407.464 GPRESSURE: 3787400 -203.303 -70.8389 -134.21 -148.676 -64.0041 71.0522 -205.598 53.0288 -381.976 PRESSAVG: 3787400 11.1502 -0.316023 17.0089 -0.315994 -4.1205 13.8427 17.0089 13.8427 -9.93624 GPRESSAVG: 3787400 13.1479 1.75709 16.4837 -0.510084 -5.69247 16.7439 16.098 12.0497 -10.3321 TIMING: 3787400 CPU: 11973.7, 0.00313845/step Wall: 11973.7, 0.00313845/step, 1.05713 hours remaining, 238.046875 MB of memory in use. ENERGY: 3787400 3886.6969 20418.9070 14495.3183 235.0516 -203201.7624 2548.9066 0.0000 0.0000 51946.6626 -109670.2192 298.5382 -161616.8818 -109314.2877 299.5456 -249.7855 -216.4275 761903.9225 -0.9689 -0.9589 PRESSURE: 3787600 358.63 382.635 -253.851 382.635 254.46 302.913 -253.851 302.912 192.509 GPRESSURE: 3787600 462.682 239.28 -337.379 392.197 180.158 339.954 -144.37 282.353 241.596 PRESSAVG: 3787600 -32.1786 21.4957 -11.5128 21.4957 45.807 28.9536 -11.5128 28.9537 -18.3766 GPRESSAVG: 3787600 -31.3576 21.5161 -11.8931 20.4314 45.7856 27.3731 -10.2082 29.0766 -18.9999 TIMING: 3787600 CPU: 11974.3, 0.00314841/step Wall: 11974.3, 0.00314841/step, 1.06032 hours remaining, 238.046875 MB of memory in use. ENERGY: 3787600 4012.8476 20390.4318 14420.1538 241.9983 -203494.7857 2836.9034 0.0000 0.0000 51919.6595 -109672.7914 298.3830 -161592.4509 -109299.6713 298.8642 268.5331 294.8118 761618.7541 -1.5827 -1.5239 PRESSURE: 3787800 -424.887 138.529 -63.9669 138.53 -263.158 116.273 -63.9674 116.274 -161.652 GPRESSURE: 3787800 -327.051 148.129 -37.0324 77.0292 -282.923 2.99102 95.0593 177.985 -155.245 PRESSAVG: 3787800 -49.4488 14.7103 5.69216 14.7104 63.282 15.7211 5.69213 15.7211 -11.7889 GPRESSAVG: 3787800 -50.8304 14.0126 6.73614 15.7182 63.9996 16.1736 5.42979 15.626 -11.2957 TIMING: 3787800 CPU: 11974.9, 0.00313725/step Wall: 11974.9, 0.00313725/step, 1.05638 hours remaining, 238.046875 MB of memory in use. ENERGY: 3787800 3933.8930 20640.3473 14382.3898 252.2891 -203134.6714 2423.0442 0.0000 0.0000 51706.3164 -109796.3917 297.1569 -161502.7081 -109446.1608 298.6885 -283.2325 -255.0731 761517.3326 0.6815 0.6245 PRESSURE: 3788000 -31.8948 132.042 -1.81967 132.041 16.7277 -7.84159 -1.8204 -7.84072 -10.1915 GPRESSURE: 3788000 76.956 130.39 -10.2644 175.628 -4.91246 -13.1581 -167.575 175.687 -11.7551 PRESSAVG: 3788000 -7.70414 8.94111 24.3075 8.94112 -27.5106 42.8723 24.3075 42.8723 -26.2207 GPRESSAVG: 3788000 -6.10966 8.98959 24.326 7.82866 -27.3379 43.7812 22.996 46.0936 -27.5916 TIMING: 3788000 CPU: 11975.5, 0.00314183/step Wall: 11975.5, 0.00314184/step, 1.05775 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3788000 3985.9415 20565.4131 14364.6030 251.4431 -203363.0832 2590.2862 0.0000 0.0000 52005.6644 -109599.7319 298.8773 -161605.3963 -109252.7598 298.4627 -8.4529 20.0962 760980.3318 -20.4785 -20.3464 PRESSURE: 3788200 18.257 84.4007 132.909 84.4003 -253.737 178.373 132.91 178.373 272.672 GPRESSURE: 3788200 16.303 146.788 119.888 9.88756 -163.517 78.4275 169.781 117.849 275.169 PRESSAVG: 3788200 2.3171 28.6872 22.3012 28.6871 1.29936 95.1078 22.3012 95.1078 35.1556 GPRESSAVG: 3788200 0.346199 29.3403 21.7498 28.9986 2.85753 94.009 23.9468 95.2061 36.1706 TIMING: 3788200 CPU: 11976.2, 0.00315438/step Wall: 11976.2, 0.00315438/step, 1.0618 hours remaining, 238.046875 MB of memory in use. ENERGY: 3788200 3992.2109 20479.3164 14459.3442 245.5504 -203803.6934 2831.6516 0.0000 0.0000 52215.8174 -109579.8026 300.0850 -161795.6199 -109216.2076 298.9478 12.3974 42.6517 762011.7290 12.9240 13.1248 LDB: ============= START OF LOAD BALANCING ============== 11988.6 LDB: ============== END OF LOAD BALANCING =============== 11988.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11988.6 LDB: ============= START OF LOAD BALANCING ============== 11988.9 LDB: Largest compute 7068 load 0.036230 is 18.5% of average load 0.196016 LDB: Average compute 0.004391 is 2.2% of average load 0.196016 LDB: TIME 11988.9 LOAD: AVG 0.196016 MAX 0.212452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 11988.9 LOAD: AVG 0.196016 MAX 0.212452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.477 MB LDB: TIME 11988.9 LOAD: AVG 0.196016 MAX 0.212452 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.477 MB LDB: ============== END OF LOAD BALANCING =============== 11988.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11988.9 PRESSURE: 3788400 114.28 -16.2359 35.2681 -16.2351 -111.366 77.4878 35.2674 77.4889 -96.7621 GPRESSURE: 3788400 92.8739 -32.2737 35.5671 -30.025 -89.5245 51.0331 -42.5892 -6.48892 -6.70209 PRESSAVG: 3788400 -1.46806 -22.9456 -27.2754 -22.9456 40.5382 40.4345 -27.2753 40.4344 -4.28761 GPRESSAVG: 3788400 -0.843257 -25.0448 -26.5949 -20.8398 39.5403 41.8789 -26.9685 36.3093 -4.17698 TIMING: 3788400 CPU: 11976.8, 0.00321893/step Wall: 11976.8, 0.00321893/step, 1.08335 hours remaining, 238.414062 MB of memory in use. ENERGY: 3788400 4011.5015 20556.0638 14463.1352 241.4571 -203272.0917 2717.5093 0.0000 0.0000 51599.6649 -109682.7598 296.5440 -161282.4248 -109328.5009 298.3156 -31.2829 -1.1176 763614.6741 11.5942 11.5067 PRESSURE: 3788600 -171.096 25.7716 -15.8748 25.7715 -123.766 -55.7514 -15.8755 -55.7516 165.56 GPRESSURE: 3788600 -56.9632 -5.49226 -34.5934 -31.7292 -138.383 -112.64 91.4538 -18.491 159.876 PRESSAVG: 3788600 -1.92653 10.5793 13.9762 10.5793 24.9137 23.5505 13.9762 23.5505 -31.6266 GPRESSAVG: 3788600 -1.37898 11.5549 12.4388 8.77089 24.4016 21.443 15.0251 25.4782 -31.2981 TIMING: 3788600 CPU: 11977.4, 0.00315509/step Wall: 11977.4, 0.00315509/step, 1.06169 hours remaining, 238.414062 MB of memory in use. ENERGY: 3788600 3950.7109 20308.9933 14393.3083 240.3907 -203140.8412 2563.4980 0.0000 0.0000 52117.7035 -109566.2366 299.5212 -161683.9401 -109200.9484 298.4484 -43.1008 -11.8235 762793.8662 -2.8798 -2.7585 PRESSURE: 3788800 84.0529 -79.4015 -57.2324 -79.4019 -39.6622 -21.3882 -57.232 -21.388 -26.1148 GPRESSURE: 3788800 143.178 -71.4855 -26.9848 -43.4113 -26.5319 13.5809 -69.917 2.40671 -13.1796 PRESSAVG: 3788800 20.6776 8.16486 -28.66 8.16481 -6.91283 47.7743 -28.6601 47.7743 -2.98148 GPRESSAVG: 3788800 21.0082 6.47409 -26.7209 9.02655 -6.72978 49.3339 -30.1166 47.8726 -3.53908 TIMING: 3788800 CPU: 11978.1, 0.0031593/step Wall: 11978.1, 0.0031593/step, 1.06293 hours remaining, 238.414062 MB of memory in use. ENERGY: 3788800 3934.0453 20668.8524 14449.9479 258.3193 -203221.0841 2685.7081 0.0000 0.0000 51754.8475 -109469.3636 297.4358 -161224.2111 -109111.8767 298.6617 6.0920 34.4888 763636.5299 3.5944 3.5798 PRESSURE: 3789000 -126.197 236.928 -29.1761 236.927 349.911 303.994 -29.176 303.993 432.429 GPRESSURE: 3789000 -87.6357 252.195 -119.659 175.101 302.671 157.747 -102.963 340.743 502.133 PRESSAVG: 3789000 19.3769 39.2056 12.6386 39.2057 -4.84539 60.6265 12.6385 60.6264 33.3535 GPRESSAVG: 3789000 18.4778 39.1482 11.7864 39.9122 -5.94513 59.7962 11.8103 58.8931 35.2585 TIMING: 3789000 CPU: 11978.7, 0.00315846/step Wall: 11978.7, 0.00315846/step, 1.06247 hours remaining, 238.414062 MB of memory in use. ENERGY: 3789000 3945.4530 20544.4853 14436.8216 231.0754 -203488.2008 2758.2244 0.0000 0.0000 52131.5384 -109440.6029 299.6007 -161572.1413 -109072.3440 299.0853 218.7144 239.0561 762771.4454 15.9617 15.9304 PRESSURE: 3789200 217.268 -43.9365 -160.065 -43.9363 -192.421 25.5126 -160.066 25.5124 188.584 GPRESSURE: 3789200 183.522 39.3032 -197.886 20.3076 -142.126 -9.80352 -252.869 105.12 253.384 PRESSAVG: 3789200 4.52044 71.5459 -61.5078 71.5459 -6.93271 -8.63824 -61.5078 -8.63822 9.1297 GPRESSAVG: 3789200 4.18274 75.2947 -61.6756 67.7943 -5.11523 -8.37073 -61.1418 -6.10473 7.39563 TIMING: 3789200 CPU: 11979.3, 0.00316009/step Wall: 11979.3, 0.00316009/step, 1.06284 hours remaining, 238.414062 MB of memory in use. ENERGY: 3789200 4007.3977 20453.8869 14457.1134 255.6933 -203339.2997 2770.5060 0.0000 0.0000 51728.0548 -109666.6476 297.2818 -161394.7024 -109320.6039 298.8982 71.1434 98.2601 761847.4522 2.2391 2.1544 PRESSURE: 3789400 -206.271 54.5691 -202.415 54.5685 -68.34 220.237 -202.416 220.236 60.838 GPRESSURE: 3789400 -189.024 71.9994 -152.1 21.5442 -140.265 173.18 -158.612 186.303 180.055 PRESSAVG: 3789400 10.2692 -50.3121 -30.5244 -50.3121 -23.1786 -10.1772 -30.5243 -10.1773 13.4572 GPRESSAVG: 3789400 11.2874 -54.7231 -28.906 -47.9807 -24.3361 -8.98871 -31.1863 -10.9587 12.9338 TIMING: 3789400 CPU: 11980, 0.00313924/step Wall: 11980, 0.00313924/step, 1.05566 hours remaining, 238.414062 MB of memory in use. ENERGY: 3789400 3951.8170 20452.2152 14453.7983 252.2768 -203624.7972 2727.5786 0.0000 0.0000 51931.2818 -109855.8294 298.4498 -161787.1112 -109495.7273 298.3527 -71.2577 -49.7445 761327.4615 0.1826 -0.0383 PRESSURE: 3789600 34.2756 -278.179 140.856 -278.178 -304.55 158.381 140.856 158.382 -115.223 GPRESSURE: 3789600 70.5523 -249.774 176.383 -212.841 -211.619 174.854 -18.7644 265.086 -161.47 PRESSAVG: 3789600 3.68681 1.46974 -3.68267 1.46973 -28.677 12.6587 -3.68262 12.6587 -24.5476 GPRESSAVG: 3789600 3.85314 4.82026 -5.47701 0.919429 -28.6549 12.0747 -3.4273 12.7131 -24.6839 TIMING: 3789600 CPU: 11980.6, 0.00314894/step Wall: 11980.6, 0.00314894/step, 1.05874 hours remaining, 238.414062 MB of memory in use. ENERGY: 3789600 3948.9832 20493.5740 14478.2665 241.2788 -203088.2690 2419.1930 0.0000 0.0000 51769.7247 -109737.2489 297.5213 -161506.9736 -109373.3052 298.3531 -128.4992 -100.8457 762281.5204 -16.5126 -16.4952 PRESSURE: 3789800 -198.779 175.972 -150.135 175.972 20.8074 40.8248 -150.134 40.8255 173.359 GPRESSURE: 3789800 -110.685 133.627 -135.799 89.1593 -2.28509 68.8058 -201.925 -102.63 181.125 PRESSAVG: 3789800 -42.6278 -36.0442 -62.5738 -36.0441 2.74357 3.16664 -62.5737 3.1666 -4.24897 GPRESSAVG: 3789800 -43.9076 -37.2892 -62.1203 -36.9069 2.5621 4.30872 -62.9133 1.58463 -2.61765 TIMING: 3789800 CPU: 11981.2, 0.00316928/step Wall: 11981.2, 0.00316928/step, 1.06541 hours remaining, 238.414062 MB of memory in use. ENERGY: 3789800 4010.1981 20499.6984 14377.5502 251.7580 -202835.8906 2111.6621 0.0000 0.0000 52113.0542 -109471.9696 299.4944 -161585.0238 -109107.5506 298.7315 -1.5375 22.7185 761481.1922 -14.7111 -14.6544 PRESSURE: 3790000 -81.6382 26.4653 -7.20339 26.4649 -308.312 -10.7393 -7.20387 -10.7398 -49.3648 GPRESSURE: 3790000 -124.372 75.728 54.5239 -116.277 -189.307 -13.8478 70.7869 88.7683 -39.1632 PRESSAVG: 3790000 -10.3093 -8.86606 -29.6225 -8.8661 11.4932 17.3004 -29.6225 17.3004 -31.9979 GPRESSAVG: 3790000 -10.7593 -9.0192 -27.7382 -9.08207 10.9862 15.484 -30.432 17.286 -30.867 TIMING: 3790000 CPU: 11981.9, 0.00317121/step Wall: 11981.9, 0.00317121/step, 1.06588 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3790000 3964.0003 20656.0977 14457.0785 234.5210 -202982.2978 2404.2264 0.0000 0.0000 52119.1249 -109147.2490 299.5293 -161266.3739 -108790.5591 299.4830 -146.4385 -117.6142 762792.6760 -10.2713 -10.2134 PRESSURE: 3790200 -193.145 -11.9489 279.151 -11.9484 -302.624 185.045 279.152 185.046 -354.278 GPRESSURE: 3790200 -177.111 128.755 287.144 -103 -287.289 46.1814 212.967 151.519 -294.155 PRESSAVG: 3790200 -32.9063 8.65419 37.6049 8.65419 11.0947 90.0783 37.6049 90.0783 42.4309 GPRESSAVG: 3790200 -32.6041 10.0756 37.2759 8.93884 11.8673 90.2803 39.1622 91.8565 41.6498 TIMING: 3790200 CPU: 11982.5, 0.00316693/step Wall: 11982.5, 0.00316693/step, 1.06426 hours remaining, 238.414062 MB of memory in use. ENERGY: 3790200 4062.4252 20577.4834 14478.7757 230.7181 -203175.1328 2410.3102 0.0000 0.0000 51999.2474 -109416.1729 298.8404 -161415.4202 -109047.7672 299.6508 -283.3489 -252.8520 762063.2078 6.8731 6.9710 PRESSURE: 3790400 309.662 -169.776 348.727 -169.776 151.67 22.7957 348.727 22.7965 294.667 GPRESSURE: 3790400 373.251 -214.64 397.284 -121.096 173.728 65.0928 274.197 46.062 284.556 PRESSAVG: 3790400 2.01572 -22.9897 4.38205 -22.9897 9.91393 47.1209 4.38202 47.121 -14.1613 GPRESSAVG: 3790400 2.82062 -25.9943 4.35833 -22.293 10.362 48.5766 3.7056 44.9031 -14.5906 TIMING: 3790400 CPU: 11983.1, 0.00314061/step Wall: 11983.1, 0.00314061/step, 1.05525 hours remaining, 238.414062 MB of memory in use. ENERGY: 3790400 4026.9118 20665.0906 14490.7925 247.3988 -203663.9346 2729.6876 0.0000 0.0000 52071.1592 -109432.8940 299.2537 -161504.0532 -109081.8273 299.7196 251.9997 277.1785 760163.2332 -0.7439 -0.4693 PRESSURE: 3790600 -27.2223 -150.644 -185.726 -150.644 58.0868 143.431 -185.726 143.431 -73.2421 GPRESSURE: 3790600 -6.9623 -146.731 -175.227 -46.0129 106.388 165.478 -175.274 206.94 -70.482 PRESSAVG: 3790600 -21.8215 -41.5385 8.33059 -41.5384 25.1176 13.7945 8.33056 13.7944 9.79653 GPRESSAVG: 3790600 -21.8065 -41.21 7.56929 -39.9271 24.9186 12.0709 8.54503 15.4485 10.1847 TIMING: 3790600 CPU: 11983.8, 0.00313455/step Wall: 11983.8, 0.00313455/step, 1.05303 hours remaining, 238.414062 MB of memory in use. ENERGY: 3790600 3919.6119 20584.7400 14516.4609 256.4434 -203291.1924 2424.4819 0.0000 0.0000 52021.3525 -109568.1018 298.9674 -161589.4543 -109219.1704 299.2382 -14.1259 9.6480 760719.1130 4.3642 4.4322 PRESSURE: 3790800 -11.955 326.968 -219.164 326.968 -23.3267 -21.244 -219.164 -21.2453 1.87604 GPRESSURE: 3790800 89.3177 214.408 -176.063 280.663 -17.529 -32.2685 -135.278 55.829 -22.3666 PRESSAVG: 3790800 31.7323 1.17904 -39.4032 1.17892 -22.8792 21.6971 -39.4032 21.6971 -5.50182 GPRESSAVG: 3790800 31.3403 2.47283 -39.5479 0.0680171 -21.7181 22.3987 -39.6116 21.9252 -6.55039 TIMING: 3790800 CPU: 11984.4, 0.00315816/step Wall: 11984.4, 0.00315816/step, 1.06079 hours remaining, 238.414062 MB of memory in use. ENERGY: 3790800 4054.3545 20422.2190 14408.3777 251.4687 -203634.2649 2844.3312 0.0000 0.0000 52205.7754 -109447.7383 300.0273 -161653.5137 -109079.4411 299.0744 -11.1352 16.4740 760592.5102 1.1171 1.0239 PRESSURE: 3791000 16.8002 -95.5273 79.1241 -95.5273 -205.265 22.253 79.1237 22.2531 -235.684 GPRESSURE: 3791000 -18.0521 72.7897 143.809 27.2048 -178.745 0.436552 145.588 -107.441 -133.184 PRESSAVG: 3791000 36.0973 29.7129 10.3795 29.7129 -50.8664 7.36235 10.3795 7.36236 11.0274 GPRESSAVG: 3791000 35.1943 31.4337 11.7144 26.8452 -51.5771 6.74199 9.03729 4.71214 12.6123 TIMING: 3791000 CPU: 11985, 0.00318029/step Wall: 11985, 0.00318029/step, 1.06805 hours remaining, 238.414062 MB of memory in use. ENERGY: 3791000 3990.0778 20553.3186 14484.2058 249.2673 -203364.2113 2657.1051 0.0000 0.0000 51883.7676 -109546.4691 298.1767 -161430.2367 -109173.4936 299.2583 -141.3828 -109.9940 762468.8259 -1.2472 -1.2569 PRESSURE: 3791200 -168.145 -24.0444 -200.651 -24.0447 159.764 166.991 -200.651 166.989 384.923 GPRESSURE: 3791200 -189.891 -125.937 -189.337 12.5169 198.661 142.275 -133.777 232.895 451.985 PRESSAVG: 3791200 82.2161 1.0216 -34.8824 1.02156 -92.6241 43.7058 -34.8823 43.7058 2.86532 GPRESSAVG: 3791200 82.9528 -0.0413482 -35.7362 1.94758 -92.8777 43.6974 -34.0745 44.7639 2.16097 TIMING: 3791200 CPU: 11985.7, 0.00315291/step Wall: 11985.7, 0.00315291/step, 1.05868 hours remaining, 238.414062 MB of memory in use. ENERGY: 3791200 4053.1932 20569.8741 14452.0800 241.1714 -203609.3116 2901.8698 0.0000 0.0000 51754.7036 -109636.4196 297.4350 -161391.1232 -109282.7514 298.7227 125.5141 153.5851 762109.8048 -2.5142 -2.5880 PRESSURE: 3791400 -89.4359 208.105 236.958 208.105 83.8718 -1.03595 236.958 -1.03705 -159.81 GPRESSURE: 3791400 -6.18443 392.362 324.681 183.792 79.5696 14.4013 235.697 -39.5232 -153.209 PRESSAVG: 3791400 28.0316 88.9991 -4.88585 88.9991 -9.8139 53.2275 -4.88583 53.2276 15.3044 GPRESSAVG: 3791400 28.5872 88.2032 -5.62274 90.1785 -10.2238 54.4662 -4.77332 52.6559 15.4171 TIMING: 3791400 CPU: 11986.3, 0.00315468/step Wall: 11986.3, 0.00315468/step, 1.0591 hours remaining, 238.414062 MB of memory in use. ENERGY: 3791400 4044.1487 20506.8440 14402.3326 235.8039 -203306.0449 2775.3914 0.0000 0.0000 51811.2931 -109530.2311 297.7602 -161341.5242 -109155.2834 298.7143 -55.1248 -26.6080 762855.2285 11.1740 11.2602 PRESSURE: 3791600 -65.1146 207.36 77.42 207.361 -15.0472 -30.4211 77.4204 -30.4219 185.631 GPRESSURE: 3791600 -6.2578 242.874 61.2509 145.593 52.6369 -36.7442 55.0523 -38.6552 146.876 PRESSAVG: 3791600 -4.91354 62.0027 1.3585 62.0027 -30.281 23.4102 1.35848 23.4102 -9.23739 GPRESSAVG: 3791600 -5.22642 60.9785 0.298536 61.4744 -30.404 22.8196 1.15668 26.0732 -9.0212 TIMING: 3791600 CPU: 11986.9, 0.00315918/step Wall: 11986.9, 0.00315918/step, 1.06043 hours remaining, 238.414062 MB of memory in use. ENERGY: 3791600 4002.3323 20566.6262 14474.2845 247.6626 -203455.2436 2763.3556 0.0000 0.0000 52063.1993 -109337.7832 299.2079 -161400.9824 -108981.6328 298.5507 35.1565 64.4185 761931.0694 -14.8106 -14.8839 PRESSURE: 3791800 204.782 66.515 151.248 66.5145 -171.187 14.2051 151.249 14.2049 -568.219 GPRESSURE: 3791800 101.619 118.994 152.281 41.2396 -98.9658 -4.32592 217.666 -48.1258 -456.751 PRESSAVG: 3791800 62.4436 10.5454 -15.8161 10.5454 -54.3291 -23.4824 -15.8161 -23.4824 -26.1347 GPRESSAVG: 3791800 61.0311 12.5526 -14.5861 10.17 -54.3515 -24.267 -14.4879 -23.9359 -24.6795 TIMING: 3791800 CPU: 11987.5, 0.00315655/step Wall: 11987.5, 0.00315655/step, 1.05937 hours remaining, 238.414062 MB of memory in use. ENERGY: 3791800 3973.3847 20721.6188 14452.7246 275.3734 -203447.6802 2622.5356 0.0000 0.0000 52161.2497 -109240.7934 299.7714 -161402.0431 -108882.3569 299.5119 -178.2081 -151.3658 762689.1318 -6.0067 -5.9999 PRESSURE: 3792000 -78.8827 -160.048 -99.4431 -160.049 -126.704 -9.29024 -99.444 -9.28956 -86.614 GPRESSURE: 3792000 2.08823 -134.417 -84.7557 -178.129 -69.907 -79.873 12.9702 20.6576 -126.207 PRESSAVG: 3792000 56.2644 41.2121 -0.272006 41.2121 -41.2459 15.1975 -0.272009 15.1976 10.8852 GPRESSAVG: 3792000 58.363 39.2838 1.18597 43.0023 -41.854 16.8921 -0.655354 12.111 9.56754 TIMING: 3792000 CPU: 11988.2, 0.00314687/step Wall: 11988.2, 0.00314687/step, 1.05595 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3792000 3942.1396 20558.5006 14481.3059 244.0569 -203148.7138 2572.3542 0.0000 0.0000 52122.4184 -109227.9382 299.5483 -161350.3566 -108863.2488 299.7714 -97.4001 -64.6752 762725.1728 8.6346 8.6922 PRESSURE: 3792200 122.38 -138.117 -87.7663 -138.117 -324.788 -189.065 -87.7666 -189.063 -54.6845 GPRESSURE: 3792200 100.407 -143.861 -106.479 -182.41 -216.584 -183.744 -93.4535 -96.6694 -67.3857 PRESSAVG: 3792200 22.4473 2.08723 -57.9287 2.0872 -66.5949 -6.44888 -57.9287 -6.44888 8.25957 GPRESSAVG: 3792200 20.5406 3.85489 -58.0552 -0.84511 -65.3026 -5.48097 -58.5665 -5.77904 8.95614 TIMING: 3792200 CPU: 11988.8, 0.00315104/step Wall: 11988.8, 0.00315104/step, 1.05717 hours remaining, 238.414062 MB of memory in use. ENERGY: 3792200 3975.0964 20566.2180 14541.7208 240.6712 -202826.7564 2014.9462 0.0000 0.0000 52181.9094 -109306.1944 299.8902 -161488.1037 -108937.9118 299.1747 -85.6976 -61.1875 762492.2542 -11.9627 -11.9353 LDB: ============= START OF LOAD BALANCING ============== 12001.2 LDB: ============== END OF LOAD BALANCING =============== 12001.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12001.2 LDB: ============= START OF LOAD BALANCING ============== 12001.5 LDB: Largest compute 7068 load 0.035033 is 17.9% of average load 0.195966 LDB: Average compute 0.004399 is 2.2% of average load 0.195966 LDB: TIME 12001.5 LOAD: AVG 0.195966 MAX 0.216029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 12001.5 LOAD: AVG 0.195966 MAX 0.216029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: TIME 12001.5 LOAD: AVG 0.195966 MAX 0.216029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12001.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12001.5 PRESSURE: 3792400 -229.689 68.7812 -119.862 68.7804 196.879 115.325 -119.861 115.325 148.459 GPRESSURE: 3792400 -154.137 7.44882 -178.001 92.6147 185.397 92.5048 -47.0431 22.4145 152.748 PRESSAVG: 3792400 -43.7162 -36.1311 -84.5753 -36.1311 54.2146 33.3122 -84.5752 33.3122 45.1912 GPRESSAVG: 3792400 -42.9685 -37.266 -85.098 -32.1597 52.9301 32.6579 -84.4677 35.2519 45.6384 TIMING: 3792400 CPU: 11989.5, 0.00324325/step Wall: 11989.5, 0.00324325/step, 1.08793 hours remaining, 237.128906 MB of memory in use. ENERGY: 3792400 3999.5637 20536.1731 14509.2292 249.2562 -203226.9042 2626.3870 0.0000 0.0000 51761.3104 -109544.9847 297.4730 -161306.2950 -109188.9565 299.1673 38.5496 61.3360 762117.2523 18.5632 18.5333 PRESSURE: 3792600 -291.262 -33.8884 3.59948 -33.8885 88.1871 -300.69 3.59807 -300.69 -174.844 GPRESSURE: 3792600 -264.321 -95.2254 9.11652 -61.7473 115.399 -255.736 -64.3622 -195.921 -124.271 PRESSAVG: 3792600 28.6261 -23.9197 -72.1937 -23.9198 -31.4715 -2.76174 -72.1937 -2.76176 -3.41549 GPRESSAVG: 3792600 27.6986 -24.8081 -72.2433 -26.0825 -31.0633 -1.72665 -72.8557 -3.95683 -2.26315 TIMING: 3792600 CPU: 11990.1, 0.00315068/step Wall: 11990.1, 0.00315068/step, 1.0567 hours remaining, 237.332031 MB of memory in use. ENERGY: 3792600 3906.7573 20595.3731 14503.3510 243.3983 -203172.2673 2281.2275 0.0000 0.0000 51934.9170 -109707.2431 298.4707 -161642.1600 -109350.1286 298.8526 -125.9728 -91.0642 762437.5380 -2.0870 -1.8759 PRESSURE: 3792800 -124.511 -90.7494 -153.663 -90.7494 -62.5192 11.4344 -153.662 11.435 283.731 GPRESSURE: 3792800 -102.961 -53.1467 -128.905 60.835 -79.1374 -80.9703 -131.855 26.8568 364.974 PRESSAVG: 3792800 44.5932 -0.623192 10.1635 -0.623302 -41.1213 -64.3937 10.1634 -64.3937 21.2172 GPRESSAVG: 3792800 46.393 1.48179 10.119 -0.984024 -40.5353 -65.6199 9.81829 -64.3124 18.4721 TIMING: 3792800 CPU: 11990.7, 0.00315452/step Wall: 11990.7, 0.00315452/step, 1.05782 hours remaining, 237.332031 MB of memory in use. ENERGY: 3792800 3972.0599 20526.6907 14488.7423 247.3979 -203265.5267 2544.9242 0.0000 0.0000 51885.6827 -109600.0291 298.1877 -161485.7118 -109243.8613 298.6210 32.2335 60.9583 761543.9493 8.2297 8.1100 PRESSURE: 3793000 46.4248 106.605 -52.0448 106.604 -153.388 77.9534 -52.0449 77.9536 -559.066 GPRESSURE: 3793000 46.8167 34.7479 -53.0143 118.579 -108.482 -25.784 13.0897 86.0724 -509.413 PRESSAVG: 3793000 23.1178 -60.825 50.2425 -60.825 22.6847 -13.2397 50.2425 -13.2397 -7.7784 GPRESSAVG: 3793000 21.2957 -63.1363 51.4464 -59.0468 22.185 -12.9687 50.634 -15.4235 -5.56214 TIMING: 3793000 CPU: 11991.4, 0.00317602/step Wall: 11991.4, 0.00317602/step, 1.06485 hours remaining, 237.332031 MB of memory in use. ENERGY: 3793000 3903.4417 20615.9970 14489.7946 242.1626 -202897.0293 2187.2080 0.0000 0.0000 51961.3800 -109497.0453 298.6228 -161458.4254 -109143.2244 298.4764 -222.0098 -190.3593 763141.7101 12.6747 12.6395 PRESSURE: 3793200 76.4629 -139.152 73.6777 -139.152 -221.235 105.609 73.6779 105.61 -50.1512 GPRESSURE: 3793200 157.439 -181.44 72.7041 -35.1819 -147.895 46.2034 142.771 291.964 -80.386 PRESSAVG: 3793200 -34.8995 -9.32034 31.6733 -9.32037 21.6619 -7.89693 31.6734 -7.89692 6.10134 GPRESSAVG: 3793200 -34.1829 -9.48647 28.9591 -8.30048 21.3909 -10.2947 32.6092 -2.9784 5.84988 TIMING: 3793200 CPU: 11992, 0.00315332/step Wall: 11992, 0.00315332/step, 1.05706 hours remaining, 237.332031 MB of memory in use. ENERGY: 3793200 3994.1316 20351.8916 14512.9792 247.5959 -203272.3330 2627.6044 0.0000 0.0000 52027.4423 -109510.6879 299.0024 -161538.1302 -109152.6331 298.7049 -64.9744 -23.6140 762516.3948 -2.3788 -2.3140 PRESSURE: 3793400 66.7243 98.0176 -164.622 98.0172 -352.612 -191.355 -164.622 -191.355 225.761 GPRESSURE: 3793400 128.291 82.0588 -105.359 78.8554 -322.274 -214.017 -255.655 -291.073 215.604 PRESSAVG: 3793400 14.9453 18.0403 -37.113 18.0403 -3.31838 46.8202 -37.113 46.8202 17.0965 GPRESSAVG: 3793400 15.5659 17.6598 -35.4645 16.1266 -3.28128 48.5022 -38.834 44.8828 16.338 TIMING: 3793400 CPU: 11992.6, 0.00316324/step Wall: 11992.6, 0.00316324/step, 1.06021 hours remaining, 237.332031 MB of memory in use. ENERGY: 3793400 3983.7824 20631.8464 14419.5629 250.0584 -202999.5939 2507.2448 0.0000 0.0000 51708.5049 -109498.5942 297.1695 -161207.0990 -109148.0241 298.5851 -20.0420 7.2072 763818.8420 9.5745 9.5409 PRESSURE: 3793600 -44.5692 -71.7039 -60.1134 -71.7052 61.3189 118.125 -60.1137 118.125 489.069 GPRESSURE: 3793600 -13.9169 -119.801 -8.95796 -101.127 85.9967 5.72342 -25.0701 58.4923 532.957 PRESSAVG: 3793600 67.8924 -0.363794 -14.3425 -0.363694 -69.465 9.22656 -14.3425 9.22669 18.9577 GPRESSAVG: 3793600 67.1393 1.10563 -15.0902 0.213569 -68.8009 9.50652 -13.7231 9.23912 19.2072 TIMING: 3793600 CPU: 11993.3, 0.00319289/step Wall: 11993.3, 0.00319289/step, 1.06997 hours remaining, 237.332031 MB of memory in use. ENERGY: 3793600 3930.9312 20505.9837 14511.4756 252.7629 -203430.7390 2746.0209 0.0000 0.0000 51900.8846 -109582.6800 298.2751 -161483.5646 -109219.3705 298.7043 168.6063 201.6790 760808.1363 5.7950 5.8485 PRESSURE: 3793800 -27.8321 79.6168 -19.9252 79.6173 -141.313 35.0183 -19.9255 35.0181 127.047 GPRESSURE: 3793800 -3.87156 62.1674 -27.457 46.9537 -103.192 23.7064 16.239 85.7787 133.641 PRESSAVG: 3793800 -4.02871 -15.6925 -20.038 -15.6924 0.77745 -24.8696 -20.038 -24.8696 3.26571 GPRESSAVG: 3793800 -3.34745 -16.3209 -19.9397 -16.2708 1.25319 -24.4876 -18.5573 -27.1525 2.28355 TIMING: 3793800 CPU: 11993.9, 0.00317761/step Wall: 11993.9, 0.00317761/step, 1.06468 hours remaining, 237.332031 MB of memory in use. ENERGY: 3793800 3919.5765 20660.9675 14485.9517 243.4101 -203513.7550 2704.5659 0.0000 0.0000 52018.7029 -109480.5802 298.9522 -161499.2832 -109124.0918 298.8081 -14.0328 8.8591 762632.9402 0.0048 0.0631 PRESSURE: 3794000 -448.373 -110.286 71.5037 -110.287 -519.33 142.634 71.5034 142.635 94.3338 GPRESSURE: 3794000 -484.492 -170.426 70.3044 -98.0272 -319.027 85.4777 66.0159 52.7875 26.1771 PRESSAVG: 3794000 44.6255 -34.7099 -15.0746 -34.7099 -26.7064 20.4207 -15.0746 20.4207 11.3313 GPRESSAVG: 3794000 43.6635 -33.7457 -14.208 -36.2943 -25.4753 19.6307 -15.985 23.2191 11.5644 TIMING: 3794000 CPU: 11994.5, 0.00316977/step Wall: 11994.5, 0.00316977/step, 1.06187 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3794000 4036.8021 20648.2976 14535.9613 248.1412 -203145.9401 2217.3380 0.0000 0.0000 51834.1980 -109625.2019 297.8918 -161459.4000 -109270.6735 298.8662 -291.1232 -259.1138 761575.9200 9.7501 9.9175 PRESSURE: 3794200 327.011 105.086 50.473 105.087 -254.302 -25.9061 50.4731 -25.9049 173.414 GPRESSURE: 3794200 337.113 48.7497 175.892 93.9377 -185.075 -13.6978 -19.5122 -176.342 194.118 PRESSAVG: 3794200 70.4061 9.85072 16.4791 9.85074 -70.5285 8.78755 16.4792 8.78762 -0.536843 GPRESSAVG: 3794200 72.0161 8.33124 17.0775 11.9939 -71.9146 8.39592 17.16 6.29547 -0.255345 TIMING: 3794200 CPU: 11995.2, 0.00314317/step Wall: 11995.2, 0.00314317/step, 1.05279 hours remaining, 237.332031 MB of memory in use. ENERGY: 3794200 3910.5090 20555.9023 14462.2282 239.7709 -203365.9865 2596.8404 0.0000 0.0000 51952.7456 -109647.9901 298.5731 -161600.7357 -109291.0080 298.6146 82.0409 115.3854 760093.9253 -0.2198 -0.0513 PRESSURE: 3794400 -307.861 103.88 133.765 103.879 -207.39 180.122 133.765 180.121 -208.065 GPRESSURE: 3794400 -321.212 40.9213 122.7 15.5366 -146.281 202.461 19.5693 204.838 -151.444 PRESSAVG: 3794400 2.28689 -42.2975 -15.0188 -42.2975 -34.2369 24.9654 -15.0188 24.9654 6.32393 GPRESSAVG: 3794400 1.4495 -41.2959 -14.8836 -43.8019 -34.6412 25.2098 -17.5526 24.6046 7.181 TIMING: 3794400 CPU: 11995.8, 0.00313958/step Wall: 11995.8, 0.00313958/step, 1.05141 hours remaining, 237.332031 MB of memory in use. ENERGY: 3794400 4001.3547 20537.6256 14479.1430 252.6416 -203606.3509 2423.4316 0.0000 0.0000 52038.7046 -109873.4498 299.0672 -161912.1544 -109511.7846 298.5594 -241.1054 -206.3125 759481.4250 -8.5420 -8.6702 PRESSURE: 3794600 419.363 -62.9275 67.9825 -62.9277 -90.6842 -15.7262 67.9823 -15.7263 193.647 GPRESSURE: 3794600 428.686 -79.8681 63.7594 -157.273 22.7687 -6.8822 162.063 -35.5666 154.72 PRESSAVG: 3794600 20.7872 -10.6407 31.8121 -10.6406 -23.7495 5.53618 31.8121 5.53629 10.1605 GPRESSAVG: 3794600 19.9878 -11.592 30.6458 -10.4497 -23.8186 5.53428 33.4944 7.88085 10.837 TIMING: 3794600 CPU: 11996.4, 0.00315711/step Wall: 11996.4, 0.0031571/step, 1.0571 hours remaining, 237.332031 MB of memory in use. ENERGY: 3794600 3977.0742 20511.6049 14488.3096 242.3214 -203801.6951 2761.0827 0.0000 0.0000 51948.9242 -109872.3780 298.5512 -161821.3022 -109501.5311 298.6787 174.1086 202.0584 759778.8233 2.3994 2.3354 PRESSURE: 3794800 -27.6185 37.5196 10.4587 37.5205 96.4009 246.994 10.4581 246.994 5.50058 GPRESSURE: 3794800 81.0192 29.1354 112.435 67.1365 44.3348 126.6 16.5956 251.323 13.9066 PRESSAVG: 3794800 28.8698 -7.37515 38.861 -7.37514 15.8107 -22.1062 38.8609 -22.106 9.70923 GPRESSAVG: 3794800 30.3651 -6.0583 41.5259 -8.3009 16.1569 -22.1323 40.5616 -21.9709 7.87368 TIMING: 3794800 CPU: 11997, 0.00315719/step Wall: 11997, 0.00315719/step, 1.05696 hours remaining, 237.332031 MB of memory in use. ENERGY: 3794800 3993.7948 20527.7292 14482.7537 249.6290 -203824.8200 2707.1163 0.0000 0.0000 52008.3023 -109855.4946 298.8924 -161863.7969 -109497.6302 298.5354 24.7610 46.4202 759025.8226 18.1299 18.1319 PRESSURE: 3795000 -264.799 -103.349 44.5138 -103.349 -481.794 -19.4374 44.5148 -19.4369 -80.0809 GPRESSURE: 3795000 -243.008 -89.785 45.5969 -216.485 -454.43 16.6845 -13.5429 -135.869 -43.5773 PRESSAVG: 3795000 32.0429 -38.1627 41.2855 -38.1626 -30.1718 55.202 41.2854 55.202 7.35332 GPRESSAVG: 3795000 31.442 -38.03 38.2608 -36.513 -29.4198 57.428 39.0342 52.8023 8.00049 TIMING: 3795000 CPU: 11997.7, 0.00313321/step Wall: 11997.7, 0.00313321/step, 1.04875 hours remaining, 237.332031 MB of memory in use. ENERGY: 3795000 3996.7741 20360.4247 14473.3793 252.1054 -202941.2078 2157.2011 0.0000 0.0000 51806.4537 -109894.8694 297.7324 -161701.3231 -109528.8633 298.3464 -275.5581 -247.0051 760982.6342 3.0748 3.3409 PRESSURE: 3795200 0.680369 68.4841 151.383 68.4838 -137.854 -333.377 151.384 -333.376 -250.762 GPRESSURE: 3795200 173.507 54.0183 65.7215 144.241 -215.108 -294.959 160.052 -240.008 -216.335 PRESSAVG: 3795200 21.7028 -0.932462 30.0327 -0.932507 -42.0836 38.6181 30.0327 38.6179 -13.555 GPRESSAVG: 3795200 22.1595 -2.54503 30.5706 -1.40939 -42.5239 36.8957 31.8325 40.3615 -13.1352 TIMING: 3795200 CPU: 11998.3, 0.00314137/step Wall: 11998.3, 0.00314137/step, 1.05131 hours remaining, 237.332031 MB of memory in use. ENERGY: 3795200 3981.3527 20443.4972 14360.5934 244.0148 -203528.4758 2719.7473 0.0000 0.0000 52032.0719 -109747.1985 299.0290 -161779.2704 -109380.8640 298.1139 -129.3121 -85.9784 761001.3079 -11.3119 -11.1665 PRESSURE: 3795400 44.9583 25.7915 -191.195 25.7919 -403.406 47.0156 -191.194 47.0139 123.914 GPRESSURE: 3795400 81.467 17.6001 -263.756 62.9277 -366.31 -41.4999 -225.049 33.1768 130.372 PRESSAVG: 3795400 81.3992 4.67093 -18.9557 4.67097 -90.2731 80.3601 -18.9557 80.3601 0.54834 GPRESSAVG: 3795400 82.0284 6.70671 -19.1784 5.13042 -90.5565 80.7677 -20.4589 81.6799 0.0413136 TIMING: 3795400 CPU: 11998.9, 0.00318029/step Wall: 11998.9, 0.00318029/step, 1.06416 hours remaining, 237.332031 MB of memory in use. ENERGY: 3795400 3976.1723 20290.0954 14491.4195 245.3306 -203316.9399 2390.3831 0.0000 0.0000 52066.9734 -109856.5657 299.2296 -161923.5391 -109495.4292 298.1945 -78.1777 -51.4903 760933.2010 -2.7752 -2.8289 PRESSURE: 3795600 -167.806 82.4454 -102.321 82.4458 -349.714 -136.305 -102.321 -136.306 0.982552 GPRESSURE: 3795600 -214.219 75.4057 -126.682 104.457 -290.598 -106.751 81.9295 -189.15 73.6038 PRESSAVG: 3795600 13.1295 3.84781 -33.9592 3.84794 -56.5575 -9.6197 -33.9592 -9.61986 18.2043 GPRESSAVG: 3795600 12.1079 2.54056 -34.3858 2.75698 -56.6931 -8.43574 -32.7301 -11.3378 19.5867 TIMING: 3795600 CPU: 11999.6, 0.00315547/step Wall: 11999.6, 0.00315547/step, 1.05568 hours remaining, 237.332031 MB of memory in use. ENERGY: 3795600 3917.8858 20684.6005 14483.2771 223.6971 -203182.4228 2494.1295 0.0000 0.0000 51798.9578 -109579.8749 297.6893 -161378.8327 -109221.9249 298.2816 -172.1793 -143.7377 762101.5916 -8.4079 -8.3328 PRESSURE: 3795800 40.998 97.2051 -9.43082 97.204 -19.3095 -5.35521 -9.43132 -5.35538 95.1175 GPRESSURE: 3795800 54.611 115.333 -30.6493 118.167 47.6233 95.5019 59.2514 107.643 105.469 PRESSAVG: 3795800 33.33 -24.73 4.14937 -24.7299 -21.9487 22.8652 4.14931 22.8653 -4.77676 GPRESSAVG: 3795800 33.4503 -27.3149 4.84109 -21.8151 -21.3214 23.4844 5.45814 22.113 -5.80376 TIMING: 3795800 CPU: 12000.2, 0.00314143/step Wall: 12000.2, 0.00314143/step, 1.05081 hours remaining, 237.332031 MB of memory in use. ENERGY: 3795800 3951.9646 20512.3608 14528.3940 269.9371 -203298.2236 2478.2229 0.0000 0.0000 51774.4064 -109782.9377 297.5482 -161557.3441 -109419.7049 298.9841 38.9353 69.2346 761340.5769 2.2015 2.1084 PRESSURE: 3796000 111.672 140.135 160.934 140.135 -84.5354 24.2556 160.934 24.2556 29.7876 GPRESSURE: 3796000 118.118 174.861 184.396 69.9442 10.3497 10.7489 122.932 95.8977 3.13741 PRESSAVG: 3796000 8.48719 0.11512 -3.01555 0.115102 20.33 46.0104 -3.01553 46.0103 -18.7257 GPRESSAVG: 3796000 8.67801 2.84008 -2.75085 -1.04919 19.5851 44.1375 -6.42644 47.3943 -18.1828 TIMING: 3796000 CPU: 12000.8, 0.00312585/step Wall: 12000.8, 0.00312585/step, 1.04542 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3796000 4021.0643 20431.8324 14480.0693 274.6618 -203556.4772 2734.1236 0.0000 0.0000 51709.8725 -109904.8533 297.1773 -161614.7258 -109540.5852 298.3346 18.9747 43.8684 761063.9768 3.3638 3.3601 PRESSURE: 3796200 162.506 160.442 -40.7867 160.443 -86.5996 67.3924 -40.7875 67.3932 21.6574 GPRESSURE: 3796200 111.91 151.688 -68.0107 165.143 -0.0463582 70.6701 79.2571 25.0101 73.2104 PRESSAVG: 3796200 -52.2096 15.2476 49.3968 15.2476 25.5744 12.6121 49.3966 12.6122 9.17007 GPRESSAVG: 3796200 -53.2349 14.5173 48.3231 15.4516 25.8226 13.4394 50.4633 11.6098 10.8388 TIMING: 3796200 CPU: 12001.5, 0.00316097/step Wall: 12001.5, 0.00316097/step, 1.05699 hours remaining, 237.332031 MB of memory in use. ENERGY: 3796200 4006.6746 20661.1675 14466.8958 237.9742 -203527.3343 2506.3454 0.0000 0.0000 51932.1981 -109716.0788 298.4551 -161648.2769 -109361.8003 298.2589 32.5213 61.6913 760570.6147 -5.8217 -5.5245 LDB: ============= START OF LOAD BALANCING ============== 12013.9 LDB: ============== END OF LOAD BALANCING =============== 12013.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12013.9 LDB: ============= START OF LOAD BALANCING ============== 12014.2 LDB: Largest compute 7068 load 0.036510 is 18.6% of average load 0.196135 LDB: Average compute 0.004375 is 2.2% of average load 0.196135 LDB: TIME 12014.2 LOAD: AVG 0.196135 MAX 0.214609 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 12014.2 LOAD: AVG 0.196135 MAX 0.214609 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 12014.2 LOAD: AVG 0.196135 MAX 0.214609 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 12014.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12014.2 PRESSURE: 3796400 299.341 92.5932 -36.6817 92.5924 207.212 -137.066 -36.6813 -137.066 -162.702 GPRESSURE: 3796400 244.789 56.8589 32.6461 168.457 219.463 -230.187 -21.2931 -211.496 -50.3826 PRESSAVG: 3796400 26.4995 10.5881 46.6275 10.5882 -20.638 -21.7712 46.6275 -21.7712 -8.39113 GPRESSAVG: 3796400 29.1088 8.50217 47.1617 11.4035 -22.0153 -23.5568 47.2334 -20.3951 -9.64938 TIMING: 3796400 CPU: 12002.1, 0.00323493/step Wall: 12002.1, 0.00323493/step, 1.08154 hours remaining, 239.183594 MB of memory in use. ENERGY: 3796400 3911.9586 20619.2544 14366.5886 249.6678 -203254.2464 2596.7905 0.0000 0.0000 51919.5358 -109590.4507 298.3823 -161509.9865 -109223.0229 298.3837 114.6173 137.9564 761510.5777 -0.8432 -0.8520 PRESSURE: 3796600 47.8039 49.3373 -3.86038 49.338 -122.857 -44.6145 -3.8592 -44.6151 -509.08 GPRESSURE: 3796600 134.285 73.5688 -48.2916 19.3088 -148.476 -57.8003 -66.9454 -125.023 -506.265 PRESSAVG: 3796600 3.4126 -14.7915 16.6093 -14.7915 8.0864 36.5092 16.6093 36.5091 4.15437 GPRESSAVG: 3796600 1.28507 -13.883 17.3683 -16.4581 9.38126 35.2519 18.1443 38.6722 4.42815 TIMING: 3796600 CPU: 12002.7, 0.00318348/step Wall: 12002.7, 0.00318349/step, 1.06417 hours remaining, 239.183594 MB of memory in use. ENERGY: 3796600 4020.0216 20506.1679 14477.0687 244.9230 -203090.0344 2197.7526 0.0000 0.0000 52353.9163 -109290.1843 300.8787 -161644.1006 -108923.6285 298.8929 -194.7110 -173.4854 762644.7295 5.2178 5.0315 PRESSURE: 3796800 -70.6958 -163.608 146.818 -163.608 28.8846 14.7033 146.817 14.7049 358.54 GPRESSURE: 3796800 -99.2075 -209.938 114.733 -149.45 161.332 -12.5071 81.1354 26.1863 326.662 PRESSAVG: 3796800 -47.0686 -31.5252 54.5938 -31.5252 15.5943 -46.5837 54.5937 -46.5837 4.89878 GPRESSAVG: 3796800 -46.0906 -30.2312 55.4991 -30.4179 15.227 -44.1945 50.9313 -48.5778 3.80196 TIMING: 3796800 CPU: 12003.4, 0.00317683/step Wall: 12003.4, 0.00317683/step, 1.06177 hours remaining, 239.183594 MB of memory in use. ENERGY: 3796800 3967.5442 20560.4881 14438.0761 227.4521 -203700.7809 2703.3712 0.0000 0.0000 52115.8750 -109687.9742 299.5107 -161803.8492 -109327.7247 299.5512 105.5763 129.5956 761808.5575 -8.8585 -9.0205 PRESSURE: 3797000 -322.37 -96.4759 8.88472 -96.4762 -36.4921 104.897 8.88438 104.898 -84.8274 GPRESSURE: 3797000 -273.922 -143.957 21.7836 -178.489 -30.7216 158.797 37.228 142.823 -58.066 PRESSAVG: 3797000 -31.2237 -19.0828 29.5567 -19.0828 39.353 10.8203 29.5568 10.8203 -13.9965 GPRESSAVG: 3797000 -31.6071 -19.8918 28.7167 -18.398 39.1631 9.3717 30.5602 10.9597 -13.554 TIMING: 3797000 CPU: 12004, 0.00319656/step Wall: 12004, 0.00319656/step, 1.06818 hours remaining, 239.183594 MB of memory in use. ENERGY: 3797000 3940.0970 20619.1291 14458.4743 246.3499 -203032.5849 2346.0539 0.0000 0.0000 51829.8297 -109592.6510 297.8667 -161422.4806 -109240.5200 298.5765 -147.8966 -120.9032 761751.2563 -1.9558 -1.9993 PRESSURE: 3797200 -46.2048 138.571 47.36 138.571 -111.203 48.5422 47.3607 48.542 55.7191 GPRESSURE: 3797200 71.6276 8.19552 59.0717 69.6657 -146.491 25.9648 67.8748 -49.3262 60.0991 PRESSAVG: 3797200 9.02227 28.6073 7.54826 28.6073 -25.698 62.8521 7.54829 62.852 -6.70012 GPRESSAVG: 3797200 8.8919 31.5204 7.54328 25.0235 -26.1025 64.8747 8.75662 61.1287 -6.16242 TIMING: 3797200 CPU: 12004.6, 0.00317013/step Wall: 12004.6, 0.00317013/step, 1.05918 hours remaining, 239.183594 MB of memory in use. ENERGY: 3797200 3898.9058 20618.6900 14469.0691 234.7897 -203127.0647 2415.3261 0.0000 0.0000 51930.5370 -109559.7471 298.4455 -161490.2841 -109184.2640 299.1261 -33.8961 -4.9215 760797.4253 -7.7919 -7.7910 PRESSURE: 3797400 -84.7816 62.9301 -17.8234 62.9298 -248.892 -78.0241 -17.8232 -78.0234 20.8572 GPRESSURE: 3797400 -3.79278 38.2692 25.651 25.2739 -190.251 20.1533 28.0041 -53.106 -42.0225 PRESSAVG: 3797400 -16.1405 15.1751 -37.5366 15.1751 -0.671265 24.6481 -37.5366 24.6481 14.9051 GPRESSAVG: 3797400 -16.1083 12.0911 -39.5857 18.441 -1.16333 24.7387 -36.7501 24.9441 14.8978 TIMING: 3797400 CPU: 12005.3, 0.00314404/step Wall: 12005.3, 0.00314404/step, 1.05028 hours remaining, 239.183594 MB of memory in use. ENERGY: 3797400 3979.9526 20682.6746 14446.4926 259.8585 -203235.2055 2371.4376 0.0000 0.0000 51933.2843 -109561.5052 298.4613 -161494.7895 -109200.3791 299.2242 -104.2721 -78.6888 759826.5667 -0.6356 -0.7913 PRESSURE: 3797600 -47.1822 -72.2499 -226.402 -72.2488 197.191 116.914 -226.402 116.913 136.994 GPRESSURE: 3797600 60.3778 -6.80364 -241.155 -52.72 176.341 123.864 -270.674 118.196 165.389 PRESSAVG: 3797600 -13.2094 -9.76087 -41.5755 -9.76085 9.35365 43.628 -41.5755 43.6279 24.957 GPRESSAVG: 3797600 -13.3078 -7.42942 -39.1991 -12.3412 9.12179 42.4137 -44.8068 45.5029 25.4721 TIMING: 3797600 CPU: 12005.9, 0.00315049/step Wall: 12005.9, 0.00315049/step, 1.05226 hours remaining, 239.183594 MB of memory in use. ENERGY: 3797600 4080.4159 20587.2230 14490.1037 236.1265 -203703.2081 2753.1218 0.0000 0.0000 52037.2520 -109518.9653 299.0588 -161556.2173 -109156.1799 299.3264 95.6676 134.0359 759917.7282 7.0337 7.0954 PRESSURE: 3797800 7.191 -67.4783 36.3649 -67.4768 -239.328 147.334 36.3654 147.334 -542.482 GPRESSURE: 3797800 -32.3242 -155.185 44.1119 -80.0204 -179.775 138.771 -98.1638 -40.3128 -489.961 PRESSAVG: 3797800 29.0664 -32.6931 22.0546 -32.6931 42.8288 54.8189 22.0546 54.8189 19.1851 GPRESSAVG: 3797800 28.272 -31.9847 22.3204 -31.2345 43.5712 54.1299 24.9597 54.7844 19.8321 TIMING: 3797800 CPU: 12006.5, 0.00314596/step Wall: 12006.5, 0.00314596/step, 1.05058 hours remaining, 239.183594 MB of memory in use. ENERGY: 3797800 3907.0044 20552.0265 14440.5418 255.4272 -203237.4324 2610.6863 0.0000 0.0000 51887.3099 -109584.4365 298.1971 -161471.7463 -109221.4227 299.1117 -258.2062 -234.0201 761569.8003 30.3601 30.5584 PRESSURE: 3798000 90.7894 36.4819 95.5981 36.4812 108.23 227.449 95.5983 227.449 38.1801 GPRESSURE: 3798000 175.465 -36.655 0.228688 72.9866 65.5925 179.055 104.575 147.518 68.023 PRESSAVG: 3798000 -24.4511 -1.79897 37.655 -1.79891 22.1441 -21.9183 37.6549 -21.9183 -15.5223 GPRESSAVG: 3798000 -22.9587 -3.52763 37.3134 -2.60599 21.149 -20.8132 38.1338 -22.7206 -16.1211 TIMING: 3798000 CPU: 12007.2, 0.00316197/step Wall: 12007.2, 0.00316197/step, 1.05575 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3798000 4016.3528 20665.8334 14495.7954 256.7794 -203570.5538 2425.7375 0.0000 0.0000 52036.4295 -109673.6260 299.0541 -161710.0554 -109317.0927 298.7929 79.0664 103.0268 760274.6649 -5.9431 -5.9769 PRESSURE: 3798200 -27.3397 72.085 170.439 72.0842 150.531 124.751 170.438 124.751 449.869 GPRESSURE: 3798200 -45.8053 194.579 142.431 31.5441 224.961 106.216 110.163 200.279 473.922 PRESSAVG: 3798200 -8.88019 36.7201 16.2265 36.72 11.2197 20.3656 16.2265 20.3656 -1.88415 GPRESSAVG: 3798200 -9.11174 36.3095 15.379 37.4411 11.4922 19.7399 14.3412 22.3663 -1.46915 TIMING: 3798200 CPU: 12007.8, 0.00313691/step Wall: 12007.8, 0.00313691/step, 1.0472 hours remaining, 239.183594 MB of memory in use. ENERGY: 3798200 3926.3982 20678.9492 14464.6139 250.2934 -203275.6662 2358.3893 0.0000 0.0000 52187.9836 -109409.0386 299.9251 -161597.0222 -109045.5746 299.1892 191.0203 217.6927 760514.4057 0.1518 0.3038 PRESSURE: 3798400 -45.9926 -107.997 39.5708 -107.997 -129.597 -191.612 39.5709 -191.61 163.726 GPRESSURE: 3798400 -93.523 -134.013 -44.5475 -109.278 -17.8107 -133.478 -95.1559 -81.974 179.884 PRESSAVG: 3798400 -16.0512 -39.0796 11.0586 -39.0797 16.7067 -46.4306 11.0586 -46.4306 -8.51524 GPRESSAVG: 3798400 -16.2767 -39.0549 10.1653 -36.8825 17.7499 -46.306 12.4754 -47.5053 -8.94037 TIMING: 3798400 CPU: 12008.4, 0.00312191/step Wall: 12008.4, 0.00312191/step, 1.04202 hours remaining, 239.183594 MB of memory in use. ENERGY: 3798400 3929.0124 20499.8007 14428.9846 251.5026 -203544.9608 2854.8570 0.0000 0.0000 52109.7343 -109471.0693 299.4754 -161580.8036 -109103.5088 299.4420 -3.9543 22.8500 759763.0495 -2.6199 -2.4890 PRESSURE: 3798600 -204.594 76.8857 189.895 76.8853 91.7778 -87.3645 189.895 -87.3651 341.558 GPRESSURE: 3798600 -163.643 154.302 242.586 123.689 113.886 -84.1749 209.45 -92.4912 382.957 PRESSAVG: 3798600 18.6183 -29.1237 -1.38535 -29.1236 -2.76392 -17.5264 -1.38538 -17.5264 -6.36408 GPRESSAVG: 3798600 18.5843 -28.1616 0.178767 -33.1188 -3.1546 -18.0522 -3.50568 -17.9236 -6.00067 TIMING: 3798600 CPU: 12009, 0.00314127/step Wall: 12009, 0.00314127/step, 1.04831 hours remaining, 239.183594 MB of memory in use. ENERGY: 3798600 3970.6653 20592.3699 14434.6591 238.3562 -203349.7766 2598.8726 0.0000 0.0000 52058.6557 -109456.1978 299.1818 -161514.8536 -109099.0241 298.8249 76.2471 111.0666 759602.9026 3.1634 3.1430 PRESSURE: 3798800 -73.1965 81.5678 -101.695 81.5672 -96.0335 65.073 -101.695 65.0733 -353.941 GPRESSURE: 3798800 -94.55 99.5355 -175.807 32.6775 -104.728 55.6582 -54.1359 -120.417 -246.432 PRESSAVG: 3798800 -28.6532 -40.1993 -22.4329 -40.1992 89.4659 17.5222 -22.433 17.5222 3.66114 GPRESSAVG: 3798800 -27.4682 -37.6493 -24.2447 -39.2554 90.0746 17.0438 -21.5231 19.1955 2.14361 TIMING: 3798800 CPU: 12009.7, 0.00313152/step Wall: 12009.7, 0.00313152/step, 1.04489 hours remaining, 239.183594 MB of memory in use. ENERGY: 3798800 3985.2694 20538.5456 14462.2679 215.1406 -203515.1676 2520.3368 0.0000 0.0000 52283.0063 -109510.6008 300.4712 -161793.6071 -109136.9689 299.3069 -174.3904 -148.5700 758247.8530 21.4913 21.5833 PRESSURE: 3799000 326.038 -41.762 47.342 -41.7622 240.556 238.25 47.3424 238.248 186.903 GPRESSURE: 3799000 314.147 103.052 27.9 -137.942 336.951 164.113 17.4539 220.414 172.436 PRESSAVG: 3799000 29.1824 -15.9569 -9.42769 -15.9569 -59.598 74.0018 -9.42768 74.0018 -9.5584 GPRESSAVG: 3799000 28.0146 -17.7993 -7.8323 -16.3226 -59.2048 73.7598 -7.6886 72.8184 -8.97289 TIMING: 3799000 CPU: 12010.3, 0.00313929/step Wall: 12010.3, 0.00313929/step, 1.0473 hours remaining, 239.183594 MB of memory in use. ENERGY: 3799000 4014.9127 20588.3601 14521.6224 254.4770 -203282.3165 2488.4439 0.0000 0.0000 51944.6574 -109469.8429 298.5267 -161414.5003 -109100.0584 299.2012 251.1658 274.5111 759654.3500 -13.3247 -13.3877 PRESSURE: 3799200 -92.0788 -10.9289 54.5712 -10.9304 -4.09607 -24.4034 54.5707 -24.4027 -248.07 GPRESSURE: 3799200 -2.93918 37.9589 9.59882 -94.073 -78.6881 43.0819 -40.7673 83.3266 -194.792 PRESSAVG: 3799200 26.6445 -20.903 21.7978 -20.9031 -10.8683 -7.19991 21.7978 -7.19986 6.90152 GPRESSAVG: 3799200 27.5433 -23.1778 21.1204 -19.0163 -10.7032 -7.46197 21.1087 -5.45988 6.14633 TIMING: 3799200 CPU: 12010.9, 0.00315411/step Wall: 12010.9, 0.00315411/step, 1.05207 hours remaining, 239.183594 MB of memory in use. ENERGY: 3799200 4035.7406 20733.4614 14488.7265 236.0664 -203645.5017 2440.9687 0.0000 0.0000 52388.6199 -109321.9182 301.0781 -161710.5380 -108954.2139 299.8895 -114.7482 -92.1397 759723.0950 7.5592 7.6622 PRESSURE: 3799400 -310.424 -68.8396 223.776 -68.8396 -14.3288 195.459 223.776 195.459 -111.618 GPRESSURE: 3799400 -319.072 -31.1295 292.322 -62.2164 27.6658 164.379 158.649 185.995 -59.6994 PRESSAVG: 3799400 77.6562 -26.2333 0.527207 -26.2334 -73.3095 72.6451 0.527142 72.6451 3.97714 GPRESSAVG: 3799400 78.0441 -22.9212 1.22147 -27.1024 -74.5633 74.5434 -0.713962 70.3592 4.23655 TIMING: 3799400 CPU: 12011.6, 0.003174/step Wall: 12011.6, 0.003174/step, 1.05853 hours remaining, 239.183594 MB of memory in use. ENERGY: 3799400 3974.6951 20718.9863 14486.1230 262.2887 -203652.8246 2763.9823 0.0000 0.0000 52273.1045 -109173.6447 300.4142 -161446.7492 -108792.9684 300.2251 -145.4570 -117.0351 761113.7788 2.7746 2.5725 PRESSURE: 3799600 -181.189 -67.8845 21.5709 -67.8843 -59.3054 82.2964 21.5711 82.2964 96.5751 GPRESSURE: 3799600 -140.678 -124.784 2.59098 49.2347 9.54735 109.932 37.7848 64.8664 75.1388 PRESSAVG: 3799600 6.16917 48.7692 16.2353 48.7692 -21.3284 40.0124 16.2353 40.0124 16.7786 GPRESSAVG: 3799600 5.15778 46.5333 16.4168 50.2436 -20.0532 38.6526 17.0442 41.9563 17.0628 TIMING: 3799600 CPU: 12012.2, 0.00315368/step Wall: 12012.2, 0.00315368/step, 1.05158 hours remaining, 239.183594 MB of memory in use. ENERGY: 3799600 3971.3884 20737.8922 14434.5732 244.4642 -203429.2789 2490.5636 0.0000 0.0000 52332.2840 -109218.1133 300.7544 -161550.3973 -108853.7863 299.9980 -47.9730 -18.6640 761903.9132 0.5398 0.7224 PRESSURE: 3799800 -191.696 48.6429 -76.2861 48.6432 56.1266 7.44595 -76.2869 7.44559 -13.6544 GPRESSURE: 3799800 -30.2214 74.7339 -33.5168 -35.0822 111.557 51.7922 -45.927 53.9654 -139.044 PRESSAVG: 3799800 -21.6569 45.9796 69.3322 45.9796 -8.31966 20.0332 69.3323 20.0332 -9.25022 GPRESSAVG: 3799800 -20.1045 46.598 68.9048 44.7244 -8.76363 20.4528 69.2114 18.6729 -10.2076 TIMING: 3799800 CPU: 12012.8, 0.00314604/step Wall: 12012.8, 0.00314604/step, 1.04885 hours remaining, 239.183594 MB of memory in use. ENERGY: 3799800 4023.2472 20707.8532 14444.0484 249.7452 -203471.4437 2624.1719 0.0000 0.0000 51969.4601 -109452.9177 298.6692 -161422.3779 -109090.5810 299.6800 -49.7413 -19.2362 762512.7133 -13.0756 -13.0252 PRESSURE: 3800000 -14.4894 -60.3007 -140.063 -60.3015 223.103 -25.6633 -140.063 -25.6645 522.389 GPRESSURE: 3800000 43.8069 -106.277 -34.1085 -18.0778 159.853 -87.6984 -113.909 -44.6765 620.655 PRESSAVG: 3800000 -16.6439 17.555 24.3665 17.555 -13.2085 -28.6097 24.3664 -28.6097 6.17544 GPRESSAVG: 3800000 -17.7553 17.5386 25.0309 17.4032 -12.2535 -28.7874 21.9621 -27.6303 6.4315 TIMING: 3800000 CPU: 12013.5, 0.00315814/step Wall: 12013.5, 0.00315814/step, 1.05271 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3800000 4017.8106 20598.8019 14549.4259 267.3615 -203910.7271 3023.2951 0.0000 0.0000 51914.7930 -109539.2389 298.3550 -161454.0320 -109179.6897 299.0329 243.6675 274.7718 760237.2115 -7.8923 -7.8591 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 -19.6073 -60.4278 81.8949 -60.4277 -84.4442 -288.21 81.8944 -288.209 116.731 GPRESSURE: 3800200 97.2656 -11.4275 11.0186 -78.1955 -157.845 -322.538 108.686 -300.628 142.598 PRESSAVG: 3800200 24.3798 -20.7546 -41.764 -20.7546 -11.9693 -23.8373 -41.764 -23.8374 -0.413879 GPRESSAVG: 3800200 23.84 -19.1235 -43.2417 -20.6132 -13.8858 -22.5649 -40.1951 -25.8171 1.2591 TIMING: 3800200 CPU: 12014.1, 0.00324681/step Wall: 12014.1, 0.00324681/step, 1.08209 hours remaining, 239.308594 MB of memory in use. ENERGY: 3800200 3950.7541 20591.2657 14424.6731 258.4534 -203451.1521 2627.1651 0.0000 0.0000 52253.8835 -109344.9572 300.3038 -161598.8407 -108972.8761 299.3901 4.2267 27.3393 760238.9616 3.9989 3.7378 LDB: ============= START OF LOAD BALANCING ============== 12026.5 LDB: ============== END OF LOAD BALANCING =============== 12026.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12026.5 LDB: ============= START OF LOAD BALANCING ============== 12026.8 LDB: Largest compute 7068 load 0.033288 is 17.0% of average load 0.196082 LDB: Average compute 0.004346 is 2.2% of average load 0.196082 LDB: TIME 12026.8 LOAD: AVG 0.196082 MAX 0.215487 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 12026.8 LOAD: AVG 0.196082 MAX 0.215487 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: TIME 12026.8 LOAD: AVG 0.196082 MAX 0.215487 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: ============== END OF LOAD BALANCING =============== 12026.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12026.8 PRESSURE: 3800400 235.118 -32.2705 191.64 -32.2708 178.378 277.112 191.64 277.112 -156.924 GPRESSURE: 3800400 273.303 -66.3905 81.0279 -51.4147 248.529 363.932 187.344 296.911 -167.813 PRESSAVG: 3800400 29.0067 -12.6751 22.9641 -12.6751 -7.16734 19.2777 22.964 19.2777 29.6551 GPRESSAVG: 3800400 29.8281 -14.8191 24.0581 -11.8921 -6.71174 16.9078 21.8789 21.1247 27.9425 TIMING: 3800400 CPU: 12014.8, 0.00325817/step Wall: 12014.8, 0.00325817/step, 1.0857 hours remaining, 238.613281 MB of memory in use. ENERGY: 3800400 3953.4199 20719.1322 14473.6274 245.1141 -203406.3410 2582.5117 0.0000 0.0000 52192.9126 -109239.6231 299.9534 -161432.5357 -108880.2959 300.3955 85.5240 118.0062 759402.4393 17.1648 17.0196 PRESSURE: 3800600 -143.904 156.34 -306.498 156.339 6.04817 -26.5451 -306.498 -26.5443 -192.173 GPRESSURE: 3800600 -188.212 122.647 -242.542 212.84 50.181 -91.0224 -282.94 -75.5755 -108.223 PRESSAVG: 3800600 47.9445 0.576313 10.0302 0.576334 -29.6233 34.8988 10.0301 34.8987 30.9525 GPRESSAVG: 3800600 47.4577 0.388849 9.18648 1.9844 -29.7954 35.951 11.9677 35.5216 31.3987 TIMING: 3800600 CPU: 12015.4, 0.00313964/step Wall: 12015.4, 0.00313964/step, 1.04602 hours remaining, 238.613281 MB of memory in use. ENERGY: 3800600 3985.2109 20548.1940 14483.9083 247.5612 -203420.7418 2608.7243 0.0000 0.0000 52110.0629 -109437.0803 299.4772 -161547.1432 -109063.2144 299.9690 -110.0097 -82.0849 760597.3150 16.4246 16.3537 PRESSURE: 3800800 34.5423 77.0878 129.537 77.0871 -9.29707 71.0547 129.537 71.0551 -153.226 GPRESSURE: 3800800 41.0326 94.0775 122.793 139.338 -11.8029 102.952 55.827 62.0599 -74.6911 PRESSAVG: 3800800 15.3335 61.0033 53.9803 61.0033 -9.36264 32.5781 53.9802 32.5781 -7.98695 GPRESSAVG: 3800800 14.8375 61.5106 54.9924 58.5543 -9.92564 33.5228 53.582 31.9214 -7.21466 TIMING: 3800800 CPU: 12016, 0.00315252/step Wall: 12016, 0.00315252/step, 1.05014 hours remaining, 238.613281 MB of memory in use. ENERGY: 3800800 3994.2091 20555.6935 14493.4198 259.6747 -203182.0861 2492.7611 0.0000 0.0000 52079.2788 -109307.0492 299.3003 -161386.3280 -108952.7956 299.2891 -42.6604 -15.1538 762071.9115 -0.6720 -0.7676 PRESSURE: 3801000 -412.189 110.202 29.876 110.204 79.4059 -0.426343 29.877 -0.42645 -410.622 GPRESSURE: 3801000 -270.56 76.271 -93.311 120.961 52.6033 62.941 52.9453 50.3684 -418.476 PRESSAVG: 3801000 31.9062 50.375 -27.8133 50.3751 8.55649 44.9154 -27.8134 44.9155 -14.4296 GPRESSAVG: 3801000 33.2531 49.523 -27.4736 51.7251 8.76509 43.9291 -28.6444 46.5072 -15.4568 TIMING: 3801000 CPU: 12016.6, 0.00314905/step Wall: 12016.6, 0.00314905/step, 1.04881 hours remaining, 238.613281 MB of memory in use. ENERGY: 3801000 3988.4819 20620.2009 14493.3609 252.9219 -203431.4118 2611.8577 0.0000 0.0000 52008.1603 -109456.4282 298.8916 -161464.5885 -109087.1199 299.3942 -247.8017 -212.1442 761790.8980 8.6777 8.8538 PRESSURE: 3801200 -430.433 -42.9733 -138.673 -42.9728 179.336 -49.6268 -138.674 -49.6272 -92.6976 GPRESSURE: 3801200 -315.131 -48.5681 -134.115 -132.836 142.796 -85.5272 -74.8221 10.9104 -90.1651 PRESSAVG: 3801200 -40.5526 43.7786 -3.97063 43.7786 37.4864 46.2566 -3.97062 46.2567 -11.8948 GPRESSAVG: 3801200 -41.7545 45.5017 -5.29958 40.6058 37.9247 44.6531 -3.2242 45.846 -11.5355 TIMING: 3801200 CPU: 12017.3, 0.00314985/step Wall: 12017.3, 0.00314985/step, 1.0489 hours remaining, 238.613281 MB of memory in use. ENERGY: 3801200 3967.4466 20518.3866 14404.0323 248.1434 -203272.2762 2597.2837 0.0000 0.0000 51995.5904 -109541.3933 298.8194 -161536.9837 -109176.1049 299.5631 -114.5981 -87.5001 761836.8511 -4.9870 -5.1218 PRESSURE: 3801400 145.219 -108.874 -35.7844 -108.874 -422.337 27.3018 -35.7843 27.3018 -568.031 GPRESSURE: 3801400 20.9177 -82.7536 -46.1323 -251.876 -276.038 55.9921 -225.871 -60.256 -514.207 PRESSAVG: 3801400 4.81488 -2.87725 -40.3269 -2.87719 -17.0924 19.6308 -40.3269 19.6308 -6.30176 GPRESSAVG: 3801400 5.48025 -4.37409 -39.8535 -1.23208 -16.9582 21.0152 -41.2765 19.1104 -7.73702 TIMING: 3801400 CPU: 12017.9, 0.00315429/step Wall: 12017.9, 0.00315429/step, 1.0502 hours remaining, 238.613281 MB of memory in use. ENERGY: 3801400 4081.5661 20496.8332 14454.2540 231.1501 -202738.9154 2231.1696 0.0000 0.0000 51712.6261 -109531.3162 297.1932 -161243.9423 -109172.6728 299.1279 -281.7162 -256.4426 761997.7592 -6.1931 -6.4050 PRESSURE: 3801600 4.51487 58.2688 251.818 58.2679 70.7816 355.11 251.817 355.11 -53.8673 GPRESSURE: 3801600 54.2288 156.504 258.459 -29.3145 129.652 422.784 306.559 230.81 -82.8179 PRESSAVG: 3801600 2.67572 -7.58971 -41.4349 -7.58971 -13.1638 22.2328 -41.435 22.2327 -2.92729 GPRESSAVG: 3801600 1.43914 -4.82157 -41.3159 -8.93878 -12.5832 23.6433 -39.5009 21.6497 -1.85155 TIMING: 3801600 CPU: 12018.5, 0.00318513/step Wall: 12018.5, 0.00318513/step, 1.06029 hours remaining, 238.613281 MB of memory in use. ENERGY: 3801600 3918.6797 20565.9192 14474.9850 239.5884 -203048.7655 2553.4371 0.0000 0.0000 52040.8468 -109255.3093 299.0795 -161296.1561 -108893.4253 299.1881 7.1431 33.6875 762155.0455 -4.4718 -4.3319 PRESSURE: 3801800 -75.1899 -290.57 29.4563 -290.57 -294.487 215.01 29.4553 215.01 316.594 GPRESSURE: 3801800 -80.2304 -274.667 18.8847 -223.166 -210.785 168.841 54.0338 18.4276 327.165 PRESSAVG: 3801800 32.2553 -42.1639 52.2176 -42.1639 5.6259 -30.2079 52.2176 -30.2079 4.09453 GPRESSAVG: 3801800 31.6707 -42.3059 52.0544 -42.4259 5.75486 -32.1899 51.0752 -31.9753 4.83209 TIMING: 3801800 CPU: 12019.2, 0.00315289/step Wall: 12019.2, 0.00315289/step, 1.04939 hours remaining, 238.613281 MB of memory in use. ENERGY: 3801800 3974.7276 20379.0771 14485.1662 260.9064 -203244.9817 2623.7930 0.0000 0.0000 52102.7411 -109418.5703 299.4352 -161521.3114 -109047.9127 299.9694 -17.6942 12.0498 764219.0125 13.9919 14.0859 PRESSURE: 3802000 -198.051 -65.3593 -75.9118 -65.3602 212.8 -200.482 -75.9113 -200.482 18.6467 GPRESSURE: 3802000 -193.438 31.382 -57.1586 -12.27 242.687 -108.899 -143.018 82.4152 56.8532 PRESSAVG: 3802000 -11.6403 -44.093 40.8156 -44.093 -26.8883 47.8656 40.8155 47.8656 -19.8501 GPRESSAVG: 3802000 -11.6945 -44.7763 40.1729 -43.8001 -27.9466 49.8258 41.5163 51.1273 -18.7733 TIMING: 3802000 CPU: 12019.8, 0.00314357/step Wall: 12019.8, 0.00314357/step, 1.04611 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3802000 3982.8857 20396.3988 14443.3774 242.2971 -203167.8830 2590.8901 0.0000 0.0000 52079.0862 -109432.9477 299.2992 -161512.0339 -109061.3438 299.4166 11.1321 35.3673 762251.7246 -19.4596 -19.4715 PRESSURE: 3802200 -147.643 -27.9767 196.12 -27.9761 -21.0529 153.103 196.12 153.103 234.27 GPRESSURE: 3802200 -101.77 -70.6456 244.923 -67.2161 -34.7932 159.266 170.618 150.154 293.596 PRESSAVG: 3802200 3.94723 -54.3832 -18.4754 -54.3831 6.65273 17.993 -18.4754 17.9929 2.67509 GPRESSAVG: 3802200 5.57951 -53.2489 -16.2998 -54.2242 6.57636 17.4347 -18.9266 15.7344 1.64789 TIMING: 3802200 CPU: 12020.4, 0.00315963/step Wall: 12020.4, 0.00315963/step, 1.05128 hours remaining, 238.613281 MB of memory in use. ENERGY: 3802200 3969.1099 20699.1778 14494.0263 256.6164 -203171.8914 2364.8152 0.0000 0.0000 52030.3121 -109357.8338 299.0189 -161388.1458 -108994.4976 299.0834 21.8579 52.3441 761744.6477 4.4250 4.6013 PRESSURE: 3802400 -241.727 -195.306 321.979 -195.306 -56.7696 -41.1443 321.979 -41.144 -434.872 GPRESSURE: 3802400 -189.973 -219.568 315.702 -211.313 -96.8595 -123.64 209.232 98.417 -361.253 PRESSAVG: 3802400 -21.5657 -56.8585 29.6557 -56.8586 35.403 35.9379 29.6557 35.9378 -9.67879 GPRESSAVG: 3802400 -21.688 -59.0443 27.5673 -56.4712 34.4145 37.1254 28.3004 37.0613 -8.70034 TIMING: 3802400 CPU: 12021.1, 0.00317575/step Wall: 12021.1, 0.00317575/step, 1.05647 hours remaining, 238.613281 MB of memory in use. ENERGY: 3802400 4060.4944 20477.9947 14546.1882 255.5464 -203401.9439 2537.0283 0.0000 0.0000 51910.6821 -109614.0099 298.3314 -161524.6920 -109261.5566 299.1298 -244.4560 -216.0284 762540.1676 1.3862 1.3421 PRESSURE: 3802600 -211.155 -175.564 -45.6974 -175.564 -440.082 67.86 -45.6977 67.8606 -228.984 GPRESSURE: 3802600 -194.039 -227.149 -130.866 -188.147 -425.836 -71.6484 -39.103 97.2813 -199.444 PRESSAVG: 3802600 -12.6747 -54.8963 -6.7182 -54.8963 -22.6718 30.1589 -6.71818 30.159 -17.3328 GPRESSAVG: 3802600 -13.4657 -52.7453 -6.36938 -55.3617 -21.216 27.3064 -4.59027 31.2892 -18.3676 TIMING: 3802600 CPU: 12021.7, 0.00317617/step Wall: 12021.7, 0.00317617/step, 1.05643 hours remaining, 238.613281 MB of memory in use. ENERGY: 3802600 3937.9472 20371.9788 14482.9903 270.8047 -202988.7540 2232.0351 0.0000 0.0000 52113.5043 -109579.4937 299.4970 -161692.9980 -109215.1964 298.9468 -293.4069 -273.1060 764037.0314 -17.5598 -17.6831 PRESSURE: 3802800 -180.641 -208.469 172.096 -208.469 36.7811 46.1585 172.096 46.1592 -166.191 GPRESSURE: 3802800 -31.0459 -86.8002 280.734 -235.01 59.584 93.3119 197.103 -50.5464 -262.446 PRESSAVG: 3802800 -10.1415 -56.1936 2.31965 -56.1936 32.4318 30.8721 2.31971 30.8721 -11.867 GPRESSAVG: 3802800 -10.98 -56.7685 3.91973 -57.1434 33.1937 31.6635 1.94318 28.1928 -11.9714 TIMING: 3802800 CPU: 12022.3, 0.00317866/step Wall: 12022.3, 0.00317866/step, 1.05708 hours remaining, 238.613281 MB of memory in use. ENERGY: 3802800 3964.0227 20467.2241 14459.5720 240.6847 -203006.5609 2335.9852 0.0000 0.0000 51912.9608 -109626.1112 298.3445 -161539.0721 -109266.3412 298.4989 -103.3502 -77.9692 763090.8965 3.4744 3.4141 PRESSURE: 3803000 62.2547 -154.531 32.821 -154.531 289.221 -57.3731 32.82 -57.3735 423.138 GPRESSURE: 3803000 101.196 -125.208 78.2615 -295.053 364.772 -71.0213 -92.4738 -20.7826 402.849 PRESSAVG: 3803000 -68.4884 -65.3503 -8.38668 -65.3503 48.9071 10.5905 -8.38667 10.5905 7.72936 GPRESSAVG: 3803000 -67.2096 -64.6394 -8.38996 -65.7722 49.0331 12.0135 -8.76321 12.0246 6.54151 TIMING: 3803000 CPU: 12023, 0.00316948/step Wall: 12023, 0.00316948/step, 1.05385 hours remaining, 238.613281 MB of memory in use. ENERGY: 3803000 4032.2375 20595.8480 14428.2210 250.8292 -203521.3298 2750.5313 0.0000 0.0000 52002.4216 -109461.2411 298.8586 -161463.6627 -109101.5692 298.7549 258.2047 289.6058 760282.7988 -3.9507 -3.8783 PRESSURE: 3803200 -78.5146 73.0343 20.5032 73.0338 4.59595 216.503 20.5036 216.503 374.789 GPRESSURE: 3803200 11.011 -1.60185 31.5873 65.7288 -37.5392 152.608 25.9543 171.556 401.171 PRESSAVG: 3803200 17.9046 -2.16946 61.4362 -2.16948 9.95042 2.89491 61.4362 2.89484 -32.3232 GPRESSAVG: 3803200 17.1982 -3.10954 61.2847 -3.5672 9.25413 1.61439 60.9209 2.65982 -31.2273 TIMING: 3803200 CPU: 12023.6, 0.00317487/step Wall: 12023.6, 0.00317487/step, 1.05547 hours remaining, 238.613281 MB of memory in use. ENERGY: 3803200 3884.3435 20561.0242 14490.0020 239.4033 -202770.2322 2320.7515 0.0000 0.0000 51834.0600 -109440.6477 297.8911 -161274.7077 -109097.8254 298.8239 100.2902 124.8810 763339.7976 -1.4894 -1.5917 PRESSURE: 3803400 -50.5629 70.6732 -259.464 70.6736 44.8612 -127.791 -259.464 -127.791 369.99 GPRESSURE: 3803400 122.48 179.162 -227.973 -27.5556 -5.52962 -142.222 -77.1136 -86.1745 328.19 PRESSAVG: 3803400 9.87669 -37.0738 28.3158 -37.0739 -4.27233 -41.4158 28.3159 -41.4158 -13.7272 GPRESSAVG: 3803400 9.08133 -36.9145 29.4755 -35.6878 -3.58575 -41.4186 29.0576 -41.1882 -13.6991 TIMING: 3803400 CPU: 12024.2, 0.00318612/step Wall: 12024.2, 0.00318612/step, 1.05903 hours remaining, 238.613281 MB of memory in use. ENERGY: 3803400 3980.3741 20585.4639 14445.5885 258.7307 -203218.9034 2710.4920 0.0000 0.0000 51957.9497 -109280.3045 298.6031 -161238.2542 -108919.9769 299.1198 121.4295 148.3800 761835.7354 -2.7076 -2.7345 PRESSURE: 3803600 118.086 71.1096 421.437 71.1098 6.61397 -12.2753 421.437 -12.2758 -22.9718 GPRESSURE: 3803600 241.5 139.513 442.888 60.8085 6.77458 -14.3013 363.646 46.4269 -39.7947 PRESSAVG: 3803600 6.14932 -75.3375 24.2311 -75.3375 -23.85 -17.2062 24.2311 -17.2062 2.43108 GPRESSAVG: 3803600 7.1322 -76.1689 21.9293 -73.067 -25.073 -17.5152 24.4403 -15.2904 2.45035 TIMING: 3803600 CPU: 12024.9, 0.00317399/step Wall: 12024.9, 0.003174/step, 1.05482 hours remaining, 238.613281 MB of memory in use. ENERGY: 3803600 3897.1774 20354.7784 14507.1715 242.3987 -202862.6135 2550.0812 0.0000 0.0000 52034.1364 -109276.8701 299.0409 -161311.0064 -108911.9247 299.2081 33.9094 69.4934 762104.7534 -5.0899 -5.1635 PRESSURE: 3803800 -567.101 -92.5877 189.683 -92.5869 -460.738 -22.2897 189.683 -22.2893 -288.157 GPRESSURE: 3803800 -553.554 -182.464 157.714 -27.3279 -328.918 -79.1709 145.812 -93.3257 -328.368 PRESSAVG: 3803800 -86.769 -13.6565 53.9583 -13.6566 47.5878 -0.903203 53.9583 -0.903327 -9.89691 GPRESSAVG: 3803800 -86.769 -11.8957 55.8855 -16.0416 48.851 0.890638 53.2419 -3.03112 -10.9157 TIMING: 3803800 CPU: 12025.5, 0.00317339/step Wall: 12025.5, 0.00317339/step, 1.05445 hours remaining, 238.613281 MB of memory in use. ENERGY: 3803800 3976.0915 20526.5512 14350.1435 242.9606 -202820.1027 2206.0402 0.0000 0.0000 52196.1055 -109322.2103 299.9717 -161518.3158 -108953.3973 299.9376 -438.6654 -403.6133 763215.6562 -16.3594 -16.2779 PRESSURE: 3804000 332.064 192.429 -139.936 192.429 272.958 -23.9738 -139.936 -23.9716 -323.666 GPRESSURE: 3804000 300.009 -17.3754 -160.899 181.695 384.897 28.5875 -73.6945 175.319 -319.17 PRESSAVG: 3804000 30.7398 -1.54658 -23.1155 -1.54657 15.3325 -78.8637 -23.1155 -78.8637 -28.0646 GPRESSAVG: 3804000 29.4652 -1.43129 -22.5842 -1.10338 16.229 -80.717 -23.0842 -79.6088 -27.7114 TIMING: 3804000 CPU: 12026.2, 0.00317791/step Wall: 12026.2, 0.00317791/step, 1.05577 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3804000 3889.2162 20521.8182 14493.6541 256.2649 -203341.1618 2629.4200 0.0000 0.0000 52254.4884 -109296.2999 300.3073 -161550.7884 -108931.5549 299.7426 93.7853 121.9120 760217.8401 6.0026 5.9943 PRESSURE: 3804200 145.017 -174.553 -92.6138 -174.552 127.697 -182.619 -92.6136 -182.619 -33.5157 GPRESSURE: 3804200 146.061 -212.898 -185.648 -128.051 218.467 -109.933 -114.85 -67.6126 -44.0109 PRESSAVG: 3804200 1.34445 -46.0501 -11.4484 -46.0501 6.63051 -19.0793 -11.4484 -19.0794 -2.45102 GPRESSAVG: 3804200 1.12718 -46.8946 -12.0346 -45.1648 5.69316 -17.1823 -11.7777 -18.6482 -1.90735 TIMING: 3804200 CPU: 12026.8, 0.00321007/step Wall: 12026.8, 0.00321007/step, 1.06628 hours remaining, 238.613281 MB of memory in use. ENERGY: 3804200 3972.2595 20397.0415 14509.8860 248.0860 -202813.3398 2542.8455 0.0000 0.0000 51759.8023 -109383.4190 297.4643 -161143.2214 -109029.0097 299.4506 79.7327 106.8390 761777.8563 1.8413 1.6377 LDB: ============= START OF LOAD BALANCING ============== 12039.2 LDB: ============== END OF LOAD BALANCING =============== 12039.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12039.2 LDB: ============= START OF LOAD BALANCING ============== 12039.5 LDB: Largest compute 7068 load 0.034754 is 17.7% of average load 0.196151 LDB: Average compute 0.004359 is 2.2% of average load 0.196151 LDB: TIME 12039.5 LOAD: AVG 0.196151 MAX 0.21668 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 12039.5 LOAD: AVG 0.196151 MAX 0.21668 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 12039.5 LOAD: AVG 0.196151 MAX 0.21668 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 12039.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12039.5 PRESSURE: 3804400 -13.0511 -70.7993 -290.31 -70.8 170.458 -193.105 -290.31 -193.105 348.34 GPRESSURE: 3804400 11.1119 -126.344 -208.662 -60.6974 224.929 -84.8008 -272.426 -295.874 371.263 PRESSAVG: 3804400 24.49 -35.9757 -46.0497 -35.9757 -20.5031 26.6236 -46.0497 26.6236 12.1379 GPRESSAVG: 3804400 24.554 -35.0485 -46.5006 -35.5971 -19.5519 26.4245 -48.3267 26.6383 11.5314 TIMING: 3804400 CPU: 12027.4, 0.00325271/step Wall: 12027.4, 0.00325271/step, 1.08026 hours remaining, 239.898438 MB of memory in use. ENERGY: 3804400 3829.7289 20523.9973 14512.5076 245.5324 -203382.5936 2761.6169 0.0000 0.0000 52179.1369 -109330.0736 299.8742 -161509.2106 -108959.3374 299.2897 168.5822 202.4347 760761.4971 5.3749 5.5112 PRESSURE: 3804600 -24.5544 -78.0813 174.176 -78.0815 174.024 -124.616 174.176 -124.615 -22.9755 GPRESSURE: 3804600 -21.3373 -75.4004 163.815 -125.688 258.79 -3.78249 210.726 -194.318 -48.376 PRESSAVG: 3804600 20.1952 -19.762 -27.1328 -19.762 -10.9611 20.2212 -27.1328 20.2212 9.17689 GPRESSAVG: 3804600 22.3566 -17.8488 -28.2495 -21.4836 -11.587 20.2915 -24.9694 20.2697 7.92609 TIMING: 3804600 CPU: 12028.1, 0.00320141/step Wall: 12028.1, 0.00320141/step, 1.06305 hours remaining, 240.101562 MB of memory in use. ENERGY: 3804600 4011.1201 20548.9121 14438.1588 263.6724 -203551.2585 2656.8633 0.0000 0.0000 52148.3226 -109484.2091 299.6971 -161632.5317 -109119.1055 299.6021 42.1647 63.0256 761193.6014 6.1370 6.2319 PRESSURE: 3804800 87.6644 -25.8826 -16.9285 -25.8834 -304.863 286.541 -16.9278 286.54 -153.184 GPRESSURE: 3804800 97.5222 -31.6112 41.918 18.3562 -220.477 224.643 -34.1983 278.285 -175.215 PRESSAVG: 3804800 0.873284 -51.6576 64.3621 -51.6576 10.1879 21.385 64.3621 21.385 17.9106 GPRESSAVG: 3804800 -0.400545 -53.7516 64.3953 -50.2954 10.4221 22.6585 66.8733 21.4797 19.5652 TIMING: 3804800 CPU: 12028.7, 0.00322572/step Wall: 12028.7, 0.00322572/step, 1.07094 hours remaining, 240.101562 MB of memory in use. ENERGY: 3804800 4062.4648 20216.3521 14446.9435 232.6437 -203164.5777 2350.9065 0.0000 0.0000 52373.1552 -109482.1119 300.9892 -161855.2671 -109118.2659 299.4576 -123.4607 -99.3900 761211.9127 9.6573 9.8623 PRESSURE: 3805000 52.0227 95.0517 137.914 95.0514 -151.58 37.7152 137.914 37.7142 -212.926 GPRESSURE: 3805000 42.7922 51.371 139.611 88.9248 -190.379 62.902 167.746 123.164 -91.3865 PRESSAVG: 3805000 38.4039 -3.45233 27.0648 -3.45239 -14.7514 40.1916 27.0648 40.1918 5.19202 GPRESSAVG: 3805000 39.3109 -3.57459 26.96 -4.40703 -16.0253 38.8337 24.8877 39.6642 4.94708 TIMING: 3805000 CPU: 12029.4, 0.0031757/step Wall: 12029.4, 0.0031757/step, 1.05415 hours remaining, 240.101562 MB of memory in use. ENERGY: 3805000 3970.5621 20465.2938 14455.6851 244.7647 -203033.5342 2504.2325 0.0000 0.0000 52030.1296 -109362.8666 299.0179 -161392.9962 -109003.7416 299.5725 -104.1611 -79.6577 760475.6503 9.6149 9.4109 PRESSURE: 3805200 -536.453 -5.13322 -31.9751 -5.13246 168.842 -110.271 -31.9749 -110.271 -60.0083 GPRESSURE: 3805200 -431.362 25.5517 -35.2053 -10.5623 190.655 53.8383 -84.01 -77.4001 -91.5239 PRESSAVG: 3805200 -49.8796 -20.9694 -31.9465 -20.9693 8.13308 19.6666 -31.9465 19.6667 20.7143 GPRESSAVG: 3805200 -49.2489 -21.4443 -31.1876 -20.6273 7.2027 21.0349 -33.5119 18.7397 20.4013 TIMING: 3805200 CPU: 12030, 0.00316729/step Wall: 12030, 0.00316728/step, 1.05119 hours remaining, 240.101562 MB of memory in use. ENERGY: 3805200 3975.3748 20468.0768 14441.9622 263.0065 -203183.7842 2631.2610 0.0000 0.0000 52091.8991 -109312.2038 299.3729 -161404.1029 -108952.4418 299.2603 -142.5397 -110.7435 762513.7647 -7.0108 -7.2150 PRESSURE: 3805400 157.456 -160.797 27.3735 -160.797 -71.5777 231.793 27.3737 231.794 -360.06 GPRESSURE: 3805400 57.6256 -105.452 6.49624 -90.8155 54.3992 275.944 66.3551 160.188 -319.049 PRESSAVG: 3805400 37.9312 -9.49827 72.2992 -9.49823 -41.3218 30.0221 72.2992 30.0223 3.61669 GPRESSAVG: 3805400 36.2027 -9.01024 72.9065 -7.64787 -40.4387 29.4398 72.7722 30.7049 4.22489 TIMING: 3805400 CPU: 12030.6, 0.00317368/step Wall: 12030.6, 0.00317368/step, 1.05313 hours remaining, 240.101562 MB of memory in use. ENERGY: 3805400 4012.4932 20565.6933 14362.9974 261.2991 -202752.4102 2300.8903 0.0000 0.0000 52143.2363 -109105.8005 299.6679 -161249.0368 -108743.2917 299.6953 -91.3939 -69.0082 761834.3077 0.0754 -0.0037 PRESSURE: 3805600 48.9618 38.6165 46.6357 38.6167 86.6497 -13.2725 46.6368 -13.2716 -53.5163 GPRESSURE: 3805600 142.315 16.495 38.7961 26.688 30.276 49.8966 107.544 -37.056 -2.443 PRESSAVG: 3805600 5.49966 -7.65638 49.7461 -7.65636 28.3993 -34.1535 49.746 -34.1535 2.68426 GPRESSAVG: 3805600 5.62236 -10.0402 47.7597 -6.30725 28.795 -33.187 49.8055 -33.0153 2.19966 TIMING: 3805600 CPU: 12031.3, 0.00314683/step Wall: 12031.3, 0.00314683/step, 1.04405 hours remaining, 240.101562 MB of memory in use. ENERGY: 3805600 4007.1660 20577.7040 14456.5779 226.5508 -202899.1360 2359.3256 0.0000 0.0000 52031.8855 -109239.9261 299.0280 -161271.8117 -108891.1489 299.7524 27.3651 56.7161 762337.5119 12.1944 12.2057 PRESSURE: 3805800 -210.169 -106.381 221.762 -106.381 121.847 64.1263 221.762 64.1261 106.849 GPRESSURE: 3805800 -141.097 -17.6697 111.453 -162.077 158.136 60.2583 253.739 129.934 81.9051 PRESSAVG: 3805800 -8.07829 16.4021 47.0096 16.4021 -53.9055 -0.650448 47.0096 -0.650482 -1.84732 GPRESSAVG: 3805800 -6.47282 18.1171 48.6433 14.1424 -54.0687 -2.08059 47.2464 -1.54525 -2.82918 TIMING: 3805800 CPU: 12031.9, 0.00317534/step Wall: 12031.9, 0.00317534/step, 1.05333 hours remaining, 240.101562 MB of memory in use. ENERGY: 3805800 3971.5510 20582.9783 14486.1002 235.3251 -202903.1976 2424.6266 0.0000 0.0000 52025.7454 -109176.8710 298.9927 -161202.6164 -108815.9288 299.4195 6.1758 32.9813 761360.7291 -21.2770 -21.1236 PRESSURE: 3806000 -169.866 77.5074 -51.3853 77.5068 302.048 38.9637 -51.3844 38.9633 -48.1651 GPRESSURE: 3806000 -88.1421 112.109 -37.8071 135.296 309.976 22.8619 -66.8243 24.8617 -43.7253 PRESSAVG: 3806000 1.73751 26.5876 65.5689 26.5876 10.6545 7.37396 65.5689 7.37407 -12.5376 GPRESSAVG: 3806000 -0.0723444 26.1943 64.8263 24.9317 11.9604 7.32423 65.1201 6.66481 -11.6001 TIMING: 3806000 CPU: 12032.5, 0.00320192/step Wall: 12032.5, 0.00320192/step, 1.06197 hours remaining, 240.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3806000 3993.2991 20624.9122 14450.3207 236.2027 -203207.1093 2503.5890 0.0000 0.0000 52354.0460 -109044.7396 300.8794 -161398.7856 -108695.3708 299.9097 28.0058 59.3696 761564.3576 -0.0485 0.0960 PRESSURE: 3806200 103.879 47.9935 39.6721 47.9932 -86.4653 86.4624 39.6711 86.4624 28.6594 GPRESSURE: 3806200 108.022 -18.3095 8.02964 109.664 22.782 33.875 127.148 25.6049 10.3811 PRESSAVG: 3806200 -7.49783 21.3308 59.6396 21.3309 12.7553 33.6725 59.6396 33.6725 -5.19554 GPRESSAVG: 3806200 -7.1955 21.0818 58.7233 23.4423 12.9534 33.6425 61.0283 33.6165 -6.0379 TIMING: 3806200 CPU: 12033.2, 0.00321334/step Wall: 12033.2, 0.00321334/step, 1.06558 hours remaining, 240.101562 MB of memory in use. ENERGY: 3806200 4007.2358 20454.4510 14444.9349 250.3584 -202685.9749 2388.2086 0.0000 0.0000 52280.1295 -108860.6566 300.4546 -161140.7861 -108499.6466 299.7784 15.3578 47.0616 762396.9861 0.0207 -0.0933 PRESSURE: 3806400 -208.679 159.536 -36.7545 159.536 -215.363 -93.1863 -36.7547 -93.1859 -373.834 GPRESSURE: 3806400 -132.246 120.524 -11.5954 79.4831 -210.046 -137.107 103.916 -9.58813 -371.554 PRESSAVG: 3806400 22.9038 -19.1077 109.869 -19.1077 4.97339 -13.3118 109.869 -13.3117 8.8986 GPRESSAVG: 3806400 23.8939 -17.6251 109.893 -20.3624 2.75815 -14.6493 110.245 -12.5 9.68156 TIMING: 3806400 CPU: 12033.8, 0.0032046/step Wall: 12033.8, 0.0032046/step, 1.0625 hours remaining, 240.101562 MB of memory in use. ENERGY: 3806400 4027.7986 20574.3982 14405.8568 243.8686 -202783.8204 2382.3053 0.0000 0.0000 52244.8451 -108904.7478 300.2518 -161149.5929 -108539.7376 299.9499 -265.9588 -237.9487 763544.4881 12.2586 12.1112 PRESSURE: 3806600 528.104 78.042 -21.0115 78.042 -11.1048 -247.525 -21.0119 -247.526 141.514 GPRESSURE: 3806600 451.26 128.554 -71.1536 51.1769 88.9798 -213.462 87.153 -192.983 209.005 PRESSAVG: 3806600 25.51 -7.4377 83.0205 -7.4377 -27.363 -5.90459 83.0204 -5.90462 30.8136 GPRESSAVG: 3806600 26.1877 -8.71997 84.1842 -8.2647 -26.671 -3.84859 81.9002 -5.79407 29.6177 TIMING: 3806600 CPU: 12034.5, 0.00325348/step Wall: 12034.5, 0.00325348/step, 1.07853 hours remaining, 240.101562 MB of memory in use. ENERGY: 3806600 3980.4546 20638.6469 14507.2225 265.0972 -203232.7628 2848.6077 0.0000 0.0000 52000.6179 -108992.1159 298.8483 -160992.7338 -108631.3857 300.1923 219.5041 249.7483 762941.3033 9.6535 9.7115 PRESSURE: 3806800 152.571 -163.825 99.4712 -163.825 171.871 73.9214 99.4705 73.9234 0.265853 GPRESSURE: 3806800 82.5212 -127.97 137.889 -167.763 318.038 124.027 109.739 37.3279 8.72237 PRESSAVG: 3806800 28.1844 -19.7834 82.2779 -19.7834 7.41544 -7.96636 82.2778 -7.96635 7.77554 GPRESSAVG: 3806800 26.3292 -19.5903 82.229 -18.0444 8.28319 -7.3277 81.186 -7.32936 9.28876 TIMING: 3806800 CPU: 12035.1, 0.00324887/step Wall: 12035.1, 0.00324887/step, 1.07682 hours remaining, 240.101562 MB of memory in use. ENERGY: 3806800 3985.8861 20429.8731 14501.2258 236.8793 -203353.3565 2858.9380 0.0000 0.0000 52109.5932 -109230.9611 299.4745 -161340.5543 -108860.2820 300.0798 108.2360 136.4271 763744.2681 14.4585 14.6337 PRESSURE: 3807000 53.3923 -155.433 -106.985 -155.432 -316.123 -53.3761 -106.985 -53.3757 -413.624 GPRESSURE: 3807000 49.6982 -177.263 -131.223 -9.12334 -252.238 -64.4926 -72.237 -103.275 -378.106 PRESSAVG: 3807000 -24.0614 -87.5031 44.7449 -87.503 46.4896 -6.62108 44.7448 -6.62105 13.1213 GPRESSAVG: 3807000 -24.7049 -87.3837 45.04 -88.4598 46.0621 -7.38851 43.7119 -7.67146 13.6599 TIMING: 3807000 CPU: 12035.8, 0.00323731/step Wall: 12035.8, 0.00323731/step, 1.07281 hours remaining, 240.101562 MB of memory in use. ENERGY: 3807000 4053.2026 20613.6628 14472.2526 247.1623 -203777.6129 2989.6041 0.0000 0.0000 52031.2856 -109370.4428 299.0245 -161401.7284 -109023.5809 299.2179 -225.4517 -193.5487 762937.6446 11.8498 11.6723 PRESSURE: 3807200 153.787 -57.0434 -163.384 -57.0433 -363.189 46.0824 -163.386 46.0831 0.766558 GPRESSURE: 3807200 151.479 -54.856 -202.965 -183.15 -306.102 -33.6852 -144.506 71.8012 55.353 PRESSAVG: 3807200 3.96558 -95.9936 13.6685 -95.9936 -32.5445 3.55844 13.6685 3.55845 22.4567 GPRESSAVG: 3807200 3.86139 -96.1387 13.6529 -94.5386 -31.426 3.69044 15.0718 4.22807 21.0377 TIMING: 3807200 CPU: 12036.4, 0.00322712/step Wall: 12036.4, 0.00322712/step, 1.06925 hours remaining, 240.101562 MB of memory in use. ENERGY: 3807200 3956.0666 20477.6156 14481.6149 240.0058 -202888.7046 2376.1297 0.0000 0.0000 51805.1463 -109552.1256 297.7249 -161357.2719 -109193.5148 299.2184 -69.5450 -33.0899 764582.2676 -2.0408 -2.1756 PRESSURE: 3807400 -238.027 105.558 -227.366 105.557 -89.342 -412.426 -227.366 -412.427 200.718 GPRESSURE: 3807400 -187.538 151.054 -210.482 123.713 -73.3139 -384.552 -214.799 -234.097 237.055 PRESSAVG: 3807400 15.8684 -61.166 -24.1345 -61.166 -66.8796 -39.1549 -24.1346 -39.1549 -10.2476 GPRESSAVG: 3807400 15.8079 -60.6217 -24.4721 -64.0751 -68.5509 -38.9687 -22.2987 -38.1721 -8.60988 TIMING: 3807400 CPU: 12037.1, 0.00322191/step Wall: 12037.1, 0.00322191/step, 1.06735 hours remaining, 240.101562 MB of memory in use. ENERGY: 3807400 3918.8064 20460.4204 14469.7518 244.0327 -203092.4058 2481.7638 0.0000 0.0000 51912.8152 -109604.8155 298.3437 -161517.6306 -109250.1206 298.7215 -42.2172 -7.9324 762696.4706 -20.4196 -20.4510 PRESSURE: 3807600 372.956 12.4123 22.4473 12.4132 54.2584 81.8634 22.4475 81.8631 94.171 GPRESSURE: 3807600 287.499 -29.3141 23.0475 8.17121 184.981 95.5585 -13.5714 152.085 126.017 PRESSAVG: 3807600 63.1269 -26.0338 -48.1426 -26.0339 -63.1701 -34.9333 -48.1426 -34.9333 22.9651 GPRESSAVG: 3807600 63.5435 -27.9335 -48.1112 -24.5655 -63.2397 -34.8878 -51.1111 -36.8932 22.6997 TIMING: 3807600 CPU: 12037.7, 0.00321916/step Wall: 12037.7, 0.00321916/step, 1.06626 hours remaining, 240.101562 MB of memory in use. ENERGY: 3807600 3871.7894 20465.9433 14448.2024 259.5101 -203337.0225 2730.1965 0.0000 0.0000 52020.9538 -109540.4271 298.9651 -161561.3810 -109176.7521 299.0353 173.7953 199.4990 763409.1826 7.6406 7.6679 PRESSURE: 3807800 -427.84 -148.884 31.8032 -148.884 -202.974 -81.2998 31.8038 -81.3007 -198.299 GPRESSURE: 3807800 -336.153 -80.2326 50.6785 -38.1253 -253.659 -59.6216 75.884 -101.276 -151.36 PRESSAVG: 3807800 -29.1665 -21.7727 24.3618 -21.7727 17.5464 -39.3144 24.3618 -39.3145 -25.0779 GPRESSAVG: 3807800 -28.544 -19.9163 22.8023 -21.1693 17.9092 -41.1454 27.0501 -37.6021 -25.8723 TIMING: 3807800 CPU: 12038.4, 0.0032413/step Wall: 12038.4, 0.0032413/step, 1.07341 hours remaining, 240.101562 MB of memory in use. ENERGY: 3807800 3921.6468 20537.9257 14482.1399 261.1163 -203586.4770 2684.3564 0.0000 0.0000 52229.0852 -109470.2066 300.1613 -161699.2919 -109106.1499 299.0153 -276.3711 -247.0572 763134.3715 -12.2327 -12.1691 PRESSURE: 3808000 -381.502 -157.922 68.2699 -157.921 87.5062 -32.6549 68.2709 -32.6541 283.173 GPRESSURE: 3808000 -199.473 -232.798 5.46548 -82.0113 66.3971 -121.81 4.33926 -42.132 230.741 PRESSAVG: 3808000 2.26621 -71.3839 -15.5468 -71.3839 29.8099 -7.56128 -15.5468 -7.56137 -5.82329 GPRESSAVG: 3808000 1.74335 -72.5677 -14.9947 -73.4195 29.9157 -6.5942 -16.2631 -7.6534 -5.37287 TIMING: 3808000 CPU: 12039, 0.00325017/step Wall: 12039, 0.00325017/step, 1.07617 hours remaining, 240.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3808000 3950.1812 20515.5526 14407.1815 254.9352 -202966.0379 2470.6013 0.0000 0.0000 51829.7190 -109537.8671 297.8661 -161367.5861 -109185.9881 298.3787 -3.6076 32.5550 763273.6263 8.7509 8.7620 PRESSURE: 3808200 323.434 -234.434 87.1136 -234.434 83.3109 -281.746 87.1137 -281.745 40.0892 GPRESSURE: 3808200 317.971 -247.661 105.628 -141.381 114.841 -207.322 54.102 -205.307 92.4656 PRESSAVG: 3808200 -43.7608 -25.3815 26.355 -25.3814 43.2802 -44.145 26.355 -44.145 6.73378 GPRESSAVG: 3808200 -43.0874 -24.8117 26.8238 -23.6659 43.1252 -44.4754 26.0111 -44.0183 6.47995 TIMING: 3808200 CPU: 12039.6, 0.00323225/step Wall: 12039.6, 0.00323225/step, 1.07005 hours remaining, 240.101562 MB of memory in use. ENERGY: 3808200 4037.1608 20347.9309 14459.0667 251.0289 -203627.0768 2945.9032 0.0000 0.0000 51973.7366 -109612.2497 298.6938 -161585.9863 -109242.1826 298.5191 148.9448 175.0925 762485.7091 2.0844 2.1726 LDB: ============= START OF LOAD BALANCING ============== 12052.1 LDB: ============== END OF LOAD BALANCING =============== 12052.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12052.1 LDB: ============= START OF LOAD BALANCING ============== 12052.4 LDB: Largest compute 7068 load 0.036442 is 17.9% of average load 0.203756 LDB: Average compute 0.004429 is 2.2% of average load 0.203756 LDB: TIME 12052.4 LOAD: AVG 0.203756 MAX 0.242597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12052.4 LOAD: AVG 0.203756 MAX 0.242597 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 12052.4 LOAD: AVG 0.203756 MAX 0.227373 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 12052.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12052.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 3808400 0.890414 -107.23 91.9821 -107.23 -256.393 253.006 91.9824 253.006 -93.6288 GPRESSURE: 3808400 69.1775 -114.002 113.666 -110.361 -237.416 233.973 238.734 153.879 -100.319 PRESSAVG: 3808400 7.9409 -13.8864 -12.2644 -13.8864 -23.1095 -19.5113 -12.2644 -19.5113 -0.372177 GPRESSAVG: 3808400 7.84595 -12.2338 -13.0098 -15.197 -23.1452 -18.3071 -11.7129 -19.7781 -0.0518427 TIMING: 3808400 CPU: 12040.3, 0.00333805/step Wall: 12040.3, 0.00333804/step, 1.10489 hours remaining, 239.125000 MB of memory in use. ENERGY: 3808400 3939.4118 20546.8346 14480.4578 241.0971 -203470.5141 2691.3985 0.0000 0.0000 51715.5664 -109855.7479 297.2101 -161571.3143 -109499.6866 297.9796 -116.3771 -89.5192 763140.9041 -5.1803 -5.1170 PRESSURE: 3808600 -85.059 -90.1383 58.3538 -90.1391 -70.0467 84.625 58.3547 84.6258 -12.4753 GPRESSURE: 3808600 -31.2868 -116.912 52.4335 -50.5252 -58.8547 20.369 -7.70649 185.882 6.12484 PRESSAVG: 3808600 26.1392 39.2664 19.2913 39.2664 -24.5564 -5.87212 19.2913 -5.87208 -3.00725 GPRESSAVG: 3808600 26.2245 40.6072 19.6793 38.4425 -24.8314 -6.37138 19.6421 -7.31704 -3.00708 TIMING: 3808600 CPU: 12041, 0.00320725/step Wall: 12041, 0.00320725/step, 1.06142 hours remaining, 239.195312 MB of memory in use. ENERGY: 3808600 3967.4838 20341.9530 14479.2257 223.9839 -203404.4641 2676.9659 0.0000 0.0000 51905.4994 -109809.3524 298.3016 -161714.8518 -109446.4856 298.3319 -55.8603 -28.0056 761870.4973 -0.4748 -0.5380 PRESSURE: 3808800 160.494 9.17718 -78.6888 9.17787 72.5836 16.8932 -78.6887 16.8933 85.6999 GPRESSURE: 3808800 193.379 -44.155 -74.1485 -12.6159 65.3442 -0.888431 39.874 81.663 118.777 PRESSAVG: 3808800 15.0478 -27.8787 -30.9318 -27.8787 -42.6621 -33.3093 -30.9318 -33.3094 -2.77998 GPRESSAVG: 3808800 15.1125 -28.5097 -30.4589 -28.6583 -43.3358 -33.8847 -31.29 -31.799 -2.34165 TIMING: 3808800 CPU: 12041.6, 0.00321131/step Wall: 12041.6, 0.00321131/step, 1.06259 hours remaining, 239.195312 MB of memory in use. ENERGY: 3808800 3944.0858 20405.0748 14495.4906 244.3555 -203630.8875 2469.5758 0.0000 0.0000 52246.6856 -109825.6194 300.2624 -162072.3050 -109462.7512 298.1324 106.2593 125.8334 759008.0032 -10.1314 -10.1883 PRESSURE: 3809000 199.634 -148.052 124.254 -148.052 172.844 100.195 124.254 100.194 -18.9274 GPRESSURE: 3809000 123.758 -127.004 145.594 -45.1583 242.53 30.7386 232.133 59.1895 58.1213 PRESSAVG: 3809000 80.4675 -30.6991 20.647 -30.6991 -60.9178 37.298 20.647 37.298 1.88026 GPRESSAVG: 3809000 79.2415 -32.9499 20.0656 -26.6078 -58.3479 36.4757 21.3378 36.8051 1.23779 TIMING: 3809000 CPU: 12042.2, 0.00317662/step Wall: 12042.2, 0.00317662/step, 1.05093 hours remaining, 239.195312 MB of memory in use. ENERGY: 3809000 3974.8018 20748.4119 14493.5598 272.2050 -203811.2103 2859.9413 0.0000 0.0000 51758.6118 -109703.6787 297.4575 -161462.2905 -109350.8232 298.9207 117.8503 141.4700 760088.4052 7.1433 7.3772 PRESSURE: 3809200 -160.668 -253.236 -147.378 -253.235 -34.8052 -18.7358 -147.379 -18.7354 -92.4306 GPRESSURE: 3809200 -111.349 -220.393 -159.396 -197.534 13.2324 11.1874 -166.992 -22.9567 -112.963 PRESSAVG: 3809200 -7.15692 -46.9753 32.3276 -46.9753 11.973 -40.252 32.3276 -40.252 -2.16205 GPRESSAVG: 3809200 -6.2984 -44.8624 33.4284 -49.6122 10.7491 -38.2713 30.7901 -41.9672 -1.71212 TIMING: 3809200 CPU: 12042.9, 0.00315426/step Wall: 12042.9, 0.00315426/step, 1.04336 hours remaining, 239.195312 MB of memory in use. ENERGY: 3809200 3976.4564 20400.1733 14585.3231 252.7235 -203354.7275 2512.3393 0.0000 0.0000 51681.7179 -109945.9941 297.0155 -161627.7120 -109580.0491 298.4280 -95.9680 -70.3599 762012.8712 0.8847 0.9129 PRESSURE: 3809400 -296.624 54.2423 1.66568 54.2431 -42.4404 -347.73 1.66582 -347.731 317.027 GPRESSURE: 3809400 -204.375 15.7961 18.0352 83.3934 -17.9234 -405.23 -63.9031 -364.691 278.554 PRESSAVG: 3809400 48.2466 -14.6618 6.61032 -14.6617 -21.6073 -0.845862 6.61037 -0.845809 3.5263 GPRESSAVG: 3809400 48.7804 -15.5376 7.17763 -13.6871 -21.4213 -3.11617 7.99713 2.4393 2.76985 TIMING: 3809400 CPU: 12043.5, 0.00317304/step Wall: 12043.5, 0.00317304/step, 1.0494 hours remaining, 239.195312 MB of memory in use. ENERGY: 3809400 3980.5017 20494.9057 14490.0422 249.1105 -203894.9012 2829.3028 0.0000 0.0000 51767.8156 -110083.2226 297.5103 -161851.0382 -109727.6384 297.8973 -7.3461 18.7517 761545.3797 10.0552 10.0430 PRESSURE: 3809600 -327.252 215.174 -2.16096 215.175 -680.203 72.7062 -2.16052 72.7062 -273.161 GPRESSURE: 3809600 -344.833 50.0735 87.8721 32.7482 -614.048 106.7 -9.32776 42.1701 -234.856 PRESSAVG: 3809600 11.6928 7.67064 6.19566 7.67067 -58.8557 -47.6574 6.19565 -47.6574 -0.71733 GPRESSAVG: 3809600 9.92834 6.75509 5.0666 6.76019 -58.4091 -45.6209 5.99726 -49.2944 0.355591 TIMING: 3809600 CPU: 12044.1, 0.00319391/step Wall: 12044.1, 0.00319391/step, 1.05612 hours remaining, 239.195312 MB of memory in use. ENERGY: 3809600 4023.0420 20465.5960 14530.3873 227.5030 -203549.1627 2408.3568 0.0000 0.0000 51713.4003 -110180.8775 297.1976 -161894.2777 -109827.5555 297.5425 -426.8720 -397.9123 762023.7788 -15.9601 -16.0417 PRESSURE: 3809800 -105.168 -243.511 298.62 -243.512 -315.37 -85.4254 298.62 -85.4253 1.13188 GPRESSURE: 3809800 -105.438 -258.067 161.153 -119.721 -234.818 -93.3644 292.623 -85.1675 26.1422 PRESSAVG: 3809800 5.02498 35.7008 21.3726 35.7008 3.5637 -35.3036 21.3726 -35.3036 3.41708 GPRESSAVG: 3809800 6.5694 35.9634 21.6139 38.924 4.21656 -35.7926 19.9395 -33.4626 1.51475 TIMING: 3809800 CPU: 12044.8, 0.00317379/step Wall: 12044.8, 0.00317379/step, 1.04929 hours remaining, 239.195312 MB of memory in use. ENERGY: 3809800 3954.9712 20515.0452 14503.0947 253.7209 -203605.8102 2460.6177 0.0000 0.0000 51876.6730 -110041.6875 298.1360 -161918.3605 -109679.7081 297.9202 -139.8020 -104.7045 762129.9147 4.0019 4.1002 PRESSURE: 3810000 -7.21741 -233.596 169.126 -233.597 173.382 -103.055 169.127 -103.053 -122.814 GPRESSURE: 3810000 3.00356 -264.392 105.761 -165.57 217.127 -104.476 174.009 66.509 -64.7754 PRESSAVG: 3810000 7.98121 -56.0389 -14.1338 -56.0388 -43.9612 -39.8601 -14.1338 -39.8601 -7.39879 GPRESSAVG: 3810000 7.63259 -54.2606 -13.1509 -57.874 -45.6182 -40.5381 -13.8 -39.8865 -5.18491 TIMING: 3810000 CPU: 12045.4, 0.00314343/step Wall: 12045.4, 0.00314343/step, 1.03908 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3810000 3924.4021 20494.6896 14491.7225 245.9833 -203841.4262 2745.7307 0.0000 0.0000 51999.2229 -109939.6750 298.8402 -161938.8979 -109572.1423 298.1834 14.4503 51.7852 761629.3799 -14.4596 -14.3902 PRESSURE: 3810200 -268.376 -46.6191 -105.213 -46.6199 5.18914 49.8921 -105.214 49.894 50.959 GPRESSURE: 3810200 -127.987 -78.6932 -170.769 -47.4524 -55.9082 48.1444 -108.778 4.98337 77.0773 PRESSAVG: 3810200 -23.5398 -25.1584 39.1763 -25.1583 7.01809 -8.00722 39.1763 -8.00727 1.66314 GPRESSAVG: 3810200 -22.9243 -25.8784 39.9909 -25.2688 5.9003 -7.38261 39.8225 -8.27376 1.4762 TIMING: 3810200 CPU: 12046, 0.00315245/step Wall: 12046, 0.00315245/step, 1.04188 hours remaining, 239.195312 MB of memory in use. ENERGY: 3810200 3970.1728 20607.8390 14449.6915 237.5532 -203857.7242 2596.7314 0.0000 0.0000 51943.2084 -110052.5279 298.5183 -161995.7363 -109694.0045 298.2002 -70.7425 -35.6061 760550.3912 -4.9529 -5.1826 PRESSURE: 3810400 -321.166 -156.599 -67.5278 -156.599 35.5021 -98.6362 -67.5277 -98.635 -151.978 GPRESSURE: 3810400 -306.576 -65.4588 -24.4071 -182.882 70.5946 -160.162 -103.937 -31.8572 -117.233 PRESSAVG: 3810400 27.4357 46.7929 -23.9289 46.7929 11.1606 -5.8734 -23.9288 -5.87339 -2.88019 GPRESSAVG: 3810400 27.3314 46.2157 -24.5042 46.9433 11.663 -4.94661 -24.3182 -5.86855 -3.68588 TIMING: 3810400 CPU: 12046.7, 0.00315196/step Wall: 12046.7, 0.00315196/step, 1.04155 hours remaining, 239.195312 MB of memory in use. ENERGY: 3810400 3913.3913 20541.8491 14530.6434 243.0529 -203566.5606 2480.8825 0.0000 0.0000 51835.5380 -110021.2034 297.8995 -161856.7414 -109649.6828 298.2507 -145.8804 -117.7381 760239.4847 11.9054 11.7695 PRESSURE: 3810600 -65.6297 188.914 66.1051 188.913 25.7907 -250.917 66.1049 -250.917 -289.822 GPRESSURE: 3810600 39.0405 220.326 95.2365 153.334 42.49 -253.024 8.16045 -231.187 -344.233 PRESSAVG: 3810600 -14.2445 45.2583 -37.4033 45.2583 3.90597 -46.7045 -37.4034 -46.7045 33.5567 GPRESSAVG: 3810600 -14.9764 45.4324 -38.217 43.6982 4.372 -47.0062 -37.3699 -47.0782 33.5173 TIMING: 3810600 CPU: 12047.3, 0.00316059/step Wall: 12047.3, 0.00316059/step, 1.04423 hours remaining, 239.195312 MB of memory in use. ENERGY: 3810600 3962.3894 20552.5510 14433.9107 231.8364 -203910.6743 2700.1009 0.0000 0.0000 52018.1133 -110011.7726 298.9488 -162029.8859 -109648.8267 297.8306 -109.8869 -87.5676 761424.0805 7.7394 7.6376 PRESSURE: 3810800 -38.6228 -142.365 -118.475 -142.364 -179.205 -44.1366 -118.475 -44.1365 -49.3421 GPRESSURE: 3810800 -19.4256 -123.486 -124.774 -237.009 -91.5707 -26.3609 -62.209 -71.4319 -50.8783 PRESSAVG: 3810800 -18.9231 17.7708 -38.6644 17.7708 23.3167 -41.976 -38.6644 -41.9761 5.11966 GPRESSAVG: 3810800 -19.2036 16.3668 -36.7705 19.2013 23.493 -42.7683 -38.299 -41.3013 5.06888 TIMING: 3810800 CPU: 12047.9, 0.00316049/step Wall: 12047.9, 0.00316049/step, 1.04401 hours remaining, 239.195312 MB of memory in use. ENERGY: 3810800 3982.6839 20682.2685 14529.0152 244.2778 -203697.0741 2686.7371 0.0000 0.0000 51880.0509 -109692.0408 298.1554 -161572.0917 -109325.1816 298.4264 -89.0567 -53.9582 762381.9338 3.1711 3.1194 PRESSURE: 3811000 -431.078 -152.758 4.2855 -152.759 -356.197 18.4737 4.28523 18.4728 147.587 GPRESSURE: 3811000 -377.99 -66.5059 -29.343 -40.8101 -278.898 51.0753 5.77576 -21.9078 104.541 PRESSAVG: 3811000 -11.8496 49.5586 -57.2236 49.5586 -39.0633 -68.1766 -57.2236 -68.1765 7.0084 GPRESSAVG: 3811000 -10.3626 51.0804 -58.0775 49.9954 -40.4451 -66.9196 -56.6655 -68.9295 7.25102 TIMING: 3811000 CPU: 12048.6, 0.00317788/step Wall: 12048.6, 0.00317788/step, 1.04958 hours remaining, 239.195312 MB of memory in use. ENERGY: 3811000 3962.6903 20648.8000 14525.0010 253.7996 -203331.3749 2397.7152 0.0000 0.0000 51744.7380 -109798.6308 297.3777 -161543.3688 -109439.7772 298.8411 -213.2294 -184.1158 763097.1677 -14.6348 -14.5189 PRESSURE: 3811200 -184.973 -81.7008 168.774 -81.7008 -25.6196 96.394 168.773 96.3934 -53.7427 GPRESSURE: 3811200 -184.038 -119.344 135.945 -14.2353 14.2916 145.323 249.445 -24.3256 -4.95631 PRESSAVG: 3811200 24.8964 47.6936 -25.2369 47.6936 -32.1173 -6.27265 -25.2369 -6.27264 13.973 GPRESSAVG: 3811200 22.4991 47.0333 -23.2974 47.6155 -29.8143 -8.42642 -27.1996 -6.60101 14.282 TIMING: 3811200 CPU: 12049.2, 0.00317172/step Wall: 12049.2, 0.00317172/step, 1.04737 hours remaining, 239.195312 MB of memory in use. ENERGY: 3811200 4114.8596 20646.5212 14516.6466 210.0523 -203716.3354 2609.4681 0.0000 0.0000 51988.4514 -109630.3363 298.7783 -161618.7876 -109272.3141 298.9438 -88.1119 -58.2343 762414.3371 2.2507 2.3223 PRESSURE: 3811400 111.849 38.9666 -36.3757 38.9679 -151.009 -141.388 -36.3755 -141.388 16.6606 GPRESSURE: 3811400 200.858 -38.0456 -34.884 36.8084 -141.044 -5.34232 -76.2779 -60.2509 -4.16008 PRESSAVG: 3811400 51.2074 22.0438 9.17458 22.0437 -18.3229 10.0416 9.17458 10.0416 25.5895 GPRESSAVG: 3811400 52.5787 21.8314 6.21804 22.5913 -20.0404 11.0779 10.1517 8.42219 25.7721 TIMING: 3811400 CPU: 12049.8, 0.00313058/step Wall: 12049.8, 0.00313058/step, 1.03361 hours remaining, 239.195312 MB of memory in use. ENERGY: 3811400 4041.7183 20633.8981 14511.2488 250.0020 -203967.2744 2920.7369 0.0000 0.0000 52018.8317 -109590.8385 298.9529 -161609.6703 -109223.3846 299.6211 -7.4998 18.5515 761048.5182 19.4913 19.4368 PRESSURE: 3811600 149.729 -76.2423 -226.698 -76.2429 10.1752 -50.865 -226.697 -50.8655 143.118 GPRESSURE: 3811600 159.747 -106.776 -150.875 -69.045 50.4052 -77.1314 -106.748 -93.4132 160.715 PRESSAVG: 3811600 50.0114 18.5748 -39.5852 18.5748 -21.5459 -33.7392 -39.5851 -33.7392 -20.089 GPRESSAVG: 3811600 50.0423 19.8403 -38.816 18.3092 -20.8138 -36.0674 -36.9105 -31.2761 -20.6466 TIMING: 3811600 CPU: 12050.5, 0.00314059/step Wall: 12050.5, 0.0031406/step, 1.03675 hours remaining, 239.195312 MB of memory in use. ENERGY: 3811600 3965.5862 20802.7127 14493.5210 237.9750 -204044.3828 2727.4744 0.0000 0.0000 52324.2493 -109492.8642 300.7082 -161817.1135 -109129.8482 299.3658 101.0074 123.6222 759317.6646 2.7921 2.8606 PRESSURE: 3811800 131.331 210.519 -272.62 210.519 -418.572 -58.9563 -272.62 -58.956 -557.213 GPRESSURE: 3811800 144.309 231.746 -287.801 211.776 -378.052 -167.625 -154.813 -97.8777 -521.17 PRESSAVG: 3811800 -0.611378 -18.171 22.4902 -18.171 -34.9426 24.9044 22.4901 24.9044 -12.8532 GPRESSAVG: 3811800 0.313445 -18.1621 21.7438 -19.2434 -34.8554 25.2643 21.3476 26.3244 -13.8181 TIMING: 3811800 CPU: 12051.1, 0.00314058/step Wall: 12051.1, 0.00314058/step, 1.03657 hours remaining, 239.195312 MB of memory in use. ENERGY: 3811800 3997.3945 20532.6765 14577.6578 234.7464 -203713.9356 2537.1055 0.0000 0.0000 52229.1478 -109605.2072 300.1616 -161834.3550 -109239.6130 299.4203 -281.4848 -251.6378 761583.6495 -16.1357 -16.1200 PRESSURE: 3812000 -356.842 -222.758 29.825 -222.758 23.9775 -141.101 29.8254 -141.101 -294.632 GPRESSURE: 3812000 -296.267 -95.6628 62.5761 -217.246 -23.9702 -54.9562 -154.08 -77.8441 -232.171 PRESSAVG: 3812000 31.2437 6.90897 -12.9302 6.90892 -14.4138 5.81225 -12.9302 5.81236 2.60446 GPRESSAVG: 3812000 30.2663 7.59482 -13.0166 6.38331 -14.3165 7.78415 -13.1447 3.71467 3.29453 TIMING: 3812000 CPU: 12051.7, 0.00315703/step Wall: 12051.7, 0.00315703/step, 1.04182 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3812000 4025.6281 20657.2755 14477.1350 259.5028 -203316.2391 2377.2779 0.0000 0.0000 51976.4728 -109542.9468 298.7095 -161519.4196 -109184.1933 299.5151 -209.1654 -184.1360 763090.8903 6.4781 6.4148 PRESSURE: 3812200 -361.019 83.146 17.0103 83.1462 -56.0535 64.7071 17.0104 64.7064 259.796 GPRESSURE: 3812200 -274.536 128.729 -10.7768 79.1308 -42.5597 15.185 79.1237 77.8457 255.472 PRESSAVG: 3812200 21.2787 43.0098 39.8201 43.0098 -9.45257 6.49392 39.8201 6.49383 -7.46993 GPRESSAVG: 3812200 22.4663 39.3541 39.5486 46.0303 -10.3572 4.88554 39.4285 7.57587 -7.8803 TIMING: 3812200 CPU: 12052.3, 0.00313901/step Wall: 12052.3, 0.00313901/step, 1.0357 hours remaining, 239.195312 MB of memory in use. ENERGY: 3812200 3978.0044 20319.5301 14549.8897 240.8918 -203486.3715 2763.2467 0.0000 0.0000 52077.4866 -109557.3221 299.2900 -161634.8087 -109194.9452 299.1110 -52.4252 -20.5414 762413.7093 1.4521 1.4096 LDB: ============= START OF LOAD BALANCING ============== 12064.7 LDB: ============== END OF LOAD BALANCING =============== 12064.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12064.7 LDB: ============= START OF LOAD BALANCING ============== 12065.1 LDB: Largest compute 7068 load 0.036933 is 18.8% of average load 0.195969 LDB: Average compute 0.004376 is 2.2% of average load 0.195969 LDB: TIME 12065.1 LOAD: AVG 0.195969 MAX 0.220551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 12065.1 LOAD: AVG 0.195969 MAX 0.220551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 12065.1 LOAD: AVG 0.195969 MAX 0.218687 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 12065.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12065.1 PRESSURE: 3812400 31.529 -33.6251 -74.4094 -33.6256 -201.984 -109.17 -74.4093 -109.17 206.591 GPRESSURE: 3812400 57.3262 -20.3638 -92.3354 -112.482 -161.103 -120.654 64.1655 -92.4527 214.177 PRESSAVG: 3812400 43.7748 9.36711 -35.2987 9.36705 -5.64737 66.8593 -35.2987 66.8594 15.2407 GPRESSAVG: 3812400 42.3795 13.2507 -36.1734 6.05258 -4.19492 66.5147 -35.095 67.7922 15.3072 TIMING: 3812400 CPU: 12053, 0.00323099/step Wall: 12053, 0.00323099/step, 1.06587 hours remaining, 239.125000 MB of memory in use. ENERGY: 3812400 3944.0180 20646.6994 14493.8818 271.7606 -203201.1795 2440.1592 0.0000 0.0000 52027.9395 -109376.7211 299.0053 -161404.6605 -109020.1735 299.0521 12.0454 36.8002 761828.3290 17.7894 17.8306 PRESSURE: 3812600 -620.936 66.4795 -77.7467 66.48 -172.819 100.766 -77.7471 100.767 261.201 GPRESSURE: 3812600 -553.467 8.07449 -30.7547 98.3573 -206.131 107.492 -139.332 152.778 302.222 PRESSAVG: 3812600 0.41787 -20.169 0.900824 -20.169 3.532 -59.0609 0.900803 -59.0609 -2.12623 GPRESSAVG: 3812600 0.662779 -22.1576 2.10312 -17.1236 3.2985 -56.5793 1.61118 -60.9638 -1.981 TIMING: 3812600 CPU: 12053.6, 0.00316165/step Wall: 12053.6, 0.00316165/step, 1.04282 hours remaining, 239.328125 MB of memory in use. ENERGY: 3812600 4031.1671 20638.0096 14495.7651 253.3925 -203795.4718 2766.9693 0.0000 0.0000 52074.5970 -109535.5710 299.2734 -161610.1681 -109181.5809 299.2290 -177.5180 -152.4588 762263.7089 0.6079 0.6601 PRESSURE: 3812800 99.3448 79.0761 284.9 79.0761 259.498 71.9796 284.899 71.9792 369.848 GPRESSURE: 3812800 194.545 4.77129 253.814 130.514 226.939 9.22307 138.038 5.95945 407.794 PRESSAVG: 3812800 -6.2917 33.3527 -0.177806 33.3526 -5.50273 -20.1005 -0.177772 -20.1005 4.44406 GPRESSAVG: 3812800 -6.12134 36.0782 1.63477 29.573 -5.38095 -21.1262 -1.8952 -18.2902 4.26231 TIMING: 3812800 CPU: 12054.2, 0.00315569/step Wall: 12054.2, 0.00315569/step, 1.04068 hours remaining, 239.328125 MB of memory in use. ENERGY: 3812800 3960.9092 20474.1065 14556.8798 241.6050 -203421.2852 2787.3571 0.0000 0.0000 51956.3619 -109444.0657 298.5939 -161400.4276 -109080.2370 298.9412 242.8970 276.4259 760139.2345 -2.4501 -2.4133 PRESSURE: 3813000 79.087 134.594 -59.5892 134.595 159.801 282.088 -59.5889 282.088 102.992 GPRESSURE: 3813000 102.384 166.612 -86.7784 200.614 140.375 224.735 -84.9806 205.104 187.278 PRESSAVG: 3813000 30.5466 37.9148 -28.8487 37.9148 -16.9328 -10.827 -28.8488 -10.827 29.7093 GPRESSAVG: 3813000 30.6265 34.5582 -32.1517 40.2613 -17.025 -9.9154 -28.9641 -12.3927 30.3161 TIMING: 3813000 CPU: 12054.9, 0.00317821/step Wall: 12054.9, 0.00317821/step, 1.04793 hours remaining, 239.328125 MB of memory in use. ENERGY: 3813000 3981.4620 20654.7073 14546.2064 258.5573 -203195.9662 2571.5872 0.0000 0.0000 51841.2023 -109342.2437 297.9321 -161183.4460 -108983.9376 298.8309 113.9601 143.3455 762756.3971 14.4410 14.6392 PRESSURE: 3813200 -132.414 -140.168 2.7524 -140.168 -126.667 -45.2 2.75326 -45.2004 -22.6756 GPRESSURE: 3813200 -130.826 -178.716 -10.6568 -173.161 -64.986 62.8258 -79.0894 -40.3373 -19.327 PRESSAVG: 3813200 9.53811 -6.39579 8.71676 -6.39574 -7.40085 -24.1367 8.71673 -24.1367 19.3536 GPRESSAVG: 3813200 10.2577 -4.66583 11.0477 -7.01 -8.11664 -22.9844 7.0669 -22.738 19.212 TIMING: 3813200 CPU: 12055.5, 0.0032242/step Wall: 12055.5, 0.0032242/step, 1.06291 hours remaining, 239.328125 MB of memory in use. ENERGY: 3813200 4028.4494 20426.8810 14566.2506 265.8118 -203274.0323 2407.1738 0.0000 0.0000 52061.1823 -109518.2833 299.1963 -161579.4657 -109139.9323 299.3670 -93.9187 -71.7130 762348.4990 7.1636 7.1177 PRESSURE: 3813400 71.3076 -71.3385 -65.9901 -71.3389 14.2423 -96.6183 -65.9894 -96.6174 -130.064 GPRESSURE: 3813400 93.4245 -86.4404 -24.1921 -53.9151 7.45957 -38.7388 60.4405 -204.647 -66.2323 PRESSAVG: 3813400 1.683 -24.4371 17.9561 -24.4371 -39.806 -2.60621 17.9561 -2.60613 2.53594 GPRESSAVG: 3813400 1.70106 -25.2291 17.7368 -23.8919 -38.6258 -3.3332 19.9829 -3.24625 1.60897 TIMING: 3813400 CPU: 12056.2, 0.00320835/step Wall: 12056.2, 0.00320835/step, 1.05751 hours remaining, 239.328125 MB of memory in use. ENERGY: 3813400 3989.1317 20593.5596 14542.6678 253.2920 -203474.4588 2615.9577 0.0000 0.0000 51974.8523 -109504.9976 298.7002 -161479.8500 -109150.3962 298.7268 -14.8382 11.5506 760980.3749 -11.8624 -11.7719 PRESSURE: 3813600 520.476 -89.5829 -74.4716 -89.5828 -51.5068 64.3985 -74.4719 64.3984 260.401 GPRESSURE: 3813600 550.321 -129.277 -93.0466 -113.162 -24.9438 42.1497 -96.708 44.5134 313.933 PRESSAVG: 3813600 66.5461 -25.4705 -5.94345 -25.4706 -68.7616 -38.5409 -5.94343 -38.5409 -3.36099 GPRESSAVG: 3813600 67.7865 -23.6576 -5.99127 -26.934 -70.7819 -40.0522 -6.82051 -37.7166 -2.42384 TIMING: 3813600 CPU: 12056.8, 0.00322318/step Wall: 12056.8, 0.00322318/step, 1.06222 hours remaining, 239.328125 MB of memory in use. ENERGY: 3813600 3920.5889 20491.5586 14580.3552 239.3581 -203220.2979 2649.2878 0.0000 0.0000 51933.9404 -109405.2088 298.4651 -161339.1493 -109041.1938 299.0573 243.1235 279.7699 759960.4779 -1.8588 -1.8064 PRESSURE: 3813800 -205.265 -32.6889 290.178 -32.6889 -361.809 21.3479 290.178 21.3488 -159.119 GPRESSURE: 3813800 -232.134 63.2976 285.707 -126.225 -249.638 76.5439 238.669 60.4688 -164.304 PRESSAVG: 3813800 23.7661 16.6436 10.5031 16.6436 -25.3943 -26.0862 10.5031 -26.0862 2.55775 GPRESSAVG: 3813800 23.8268 16.9268 9.43537 16.7188 -24.6015 -23.8591 11.0334 -26.2716 1.41114 TIMING: 3813800 CPU: 12057.5, 0.00322423/step Wall: 12057.5, 0.00322424/step, 1.06239 hours remaining, 239.328125 MB of memory in use. ENERGY: 3813800 3958.4613 20426.9171 14459.2411 243.9370 -202904.8560 2253.0946 0.0000 0.0000 52028.8456 -109534.3593 299.0105 -161563.2050 -109170.0083 298.9674 -242.0644 -215.3584 762036.6385 0.3098 0.2121 PRESSURE: 3814000 74.6363 215.474 61.5486 215.475 -35.4662 30.7481 61.5485 30.7479 4.38909 GPRESSURE: 3814000 160.355 202.061 -24.1544 133.876 -7.98382 -14.9664 41.1647 18.8482 -14.7683 PRESSAVG: 3814000 59.3567 -4.31678 -25.3101 -4.31676 -30.6064 -2.2535 -25.31 -2.25345 -6.11761 GPRESSAVG: 3814000 58.9291 -6.22739 -25.2086 -3.11216 -31.5791 -3.55467 -24.8557 -2.25377 -5.0252 TIMING: 3814000 CPU: 12058.1, 0.00319205/step Wall: 12058.1, 0.00319205/step, 1.0516 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3814000 3918.8741 20422.5284 14469.3161 244.5296 -203163.3981 2489.6135 0.0000 0.0000 52141.6159 -109476.9205 299.6586 -161618.5364 -109115.6743 299.0907 14.5197 45.8675 761650.7238 7.5442 7.4416 PRESSURE: 3814200 -89.213 47.1965 -336.227 47.1969 -39.8902 -112.217 -336.227 -112.217 43.6181 GPRESSURE: 3814200 7.27536 122.324 -281.53 59.1321 -108.203 -85.3241 -256.309 -73.1736 102.575 PRESSAVG: 3814200 15.0023 -38.183 -56.0489 -38.183 54.3084 -41.8806 -56.0489 -41.8807 18.7973 GPRESSAVG: 3814200 14.9034 -39.15 -54.7831 -38.9683 54.5948 -41.601 -56.3516 -41.6319 17.9677 TIMING: 3814200 CPU: 12058.7, 0.00319457/step Wall: 12058.7, 0.00319457/step, 1.05226 hours remaining, 239.328125 MB of memory in use. ENERGY: 3814200 3998.7687 20625.7302 14511.7529 246.2982 -203726.1014 2829.3194 0.0000 0.0000 52111.7582 -109402.4738 299.4870 -161514.2320 -109042.0129 299.2176 -28.4950 0.5493 761506.3981 29.3693 29.1553 PRESSURE: 3814400 183.269 -71.717 259.648 -71.7164 108.085 28.8378 259.647 28.8383 -282.099 GPRESSURE: 3814400 245.238 -162.803 163.747 -196.709 135.052 100.646 306.417 4.71904 -282.442 PRESSAVG: 3814400 -30.7721 -56.6936 -31.2185 -56.6936 3.53789 -59.341 -31.2185 -59.3411 7.97214 GPRESSAVG: 3814400 -31.3958 -55.3528 -31.5687 -56.6316 3.79096 -58.9255 -31.0355 -59.8415 8.89234 TIMING: 3814400 CPU: 12059.4, 0.00321491/step Wall: 12059.4, 0.00321491/step, 1.05878 hours remaining, 239.328125 MB of memory in use. ENERGY: 3814400 4015.7753 20620.3510 14474.6025 245.3350 -203385.4548 2688.1635 0.0000 0.0000 51796.7343 -109544.4932 297.6765 -161341.2275 -109180.8655 298.5713 3.0846 32.6159 762791.9363 -6.4207 -6.2375 PRESSURE: 3814600 54.3866 36.2941 239.811 36.2942 207.693 -97.2928 239.811 -97.2926 163.085 GPRESSURE: 3814600 95.436 7.78596 272.994 -62.7827 175.575 -63.5401 251.138 -58.2649 237.341 PRESSAVG: 3814600 -11.5636 -22.6454 -28.9889 -22.6454 36.9274 -5.34104 -28.989 -5.34106 -15.7666 GPRESSAVG: 3814600 -12.3279 -23.4571 -29.124 -22.1949 38.0018 -6.62284 -28.8065 -4.07322 -16.2703 TIMING: 3814600 CPU: 12060, 0.00321088/step Wall: 12060, 0.00321088/step, 1.05727 hours remaining, 239.328125 MB of memory in use. ENERGY: 3814600 3996.4290 20427.4498 14517.1829 260.0332 -203692.6343 2615.6601 0.0000 0.0000 52236.7487 -109639.1307 300.2053 -161875.8794 -109272.4487 298.5347 141.7218 169.4506 760563.7189 3.1990 3.1345 PRESSURE: 3814800 -165.868 -78.5559 -55.6444 -78.5556 -73.0082 -30.4359 -55.6446 -30.4357 -90.2708 GPRESSURE: 3814800 -108.831 -78.7131 -72.379 10.8598 -63.1891 -173.156 -184.884 0.74136 -94.8693 PRESSAVG: 3814800 -29.7803 -3.10122 39.9514 -3.10134 65.9342 18.5237 39.9514 18.5237 7.80552 GPRESSAVG: 3814800 -28.1428 -5.79976 40.3871 -0.347005 65.3723 16.2828 38.1221 18.721 7.18398 TIMING: 3814800 CPU: 12060.7, 0.00323218/step Wall: 12060.7, 0.00323218/step, 1.06411 hours remaining, 239.328125 MB of memory in use. ENERGY: 3814800 3949.9316 20549.7501 14378.1587 229.7818 -203365.7224 2679.3955 0.0000 0.0000 51669.4522 -109909.2526 296.9451 -161578.7047 -109550.7039 298.2880 -109.7156 -88.9631 762742.9218 14.6531 14.8045 PRESSURE: 3815000 157.236 -69.534 -208.177 -69.5334 220.078 199.972 -208.177 199.972 651.925 GPRESSURE: 3815000 88.6711 -19.4139 -203.591 -73.6852 339.724 313.583 -164.639 183.37 680.533 PRESSAVG: 3815000 70.519 -30.7402 -0.454223 -30.7402 -39.349 -7.82654 -0.454268 -7.82656 2.04144 GPRESSAVG: 3815000 70.7946 -27.2143 0.0613074 -33.1863 -40.6842 -4.36186 0.526892 -8.85316 2.83824 TIMING: 3815000 CPU: 12061.3, 0.00320754/step Wall: 12061.3, 0.00320754/step, 1.05582 hours remaining, 239.328125 MB of memory in use. ENERGY: 3815000 3957.3187 20294.7173 14402.1461 226.9805 -203715.3863 2966.5709 0.0000 0.0000 52036.1041 -109831.5488 299.0522 -161867.6529 -109474.1923 298.1202 343.0797 369.6428 760598.9495 11.0705 10.9829 PRESSURE: 3815200 -287.565 195.114 -34.133 195.113 -49.0194 -56.4565 -34.134 -56.4556 199.01 GPRESSURE: 3815200 -323.074 97.3126 36.452 213.133 14.2818 -120.166 -187.352 13.7784 262.313 PRESSAVG: 3815200 -13.4318 -12.7374 -11.9637 -12.7375 -27.5811 13.7737 -11.9637 13.7737 -18.7568 GPRESSAVG: 3815200 -15.369 -12.2625 -13.6993 -12.7021 -26.3121 11.9273 -9.96846 14.9841 -18.3406 TIMING: 3815200 CPU: 12061.9, 0.00320037/step Wall: 12061.9, 0.00320037/step, 1.05328 hours remaining, 239.328125 MB of memory in use. ENERGY: 3815200 3918.2005 20356.1354 14388.2110 251.6636 -203196.9936 2478.0383 0.0000 0.0000 52197.8090 -109606.9357 299.9815 -161804.7448 -109235.9225 297.9472 -45.8583 -15.4930 763251.6572 -19.9232 -20.0072 PRESSURE: 3815400 -17.2506 -213.714 -69.6841 -213.713 88.5217 -86.6053 -69.6831 -86.605 -295.229 GPRESSURE: 3815400 4.50476 -127.399 -58.0824 -180.485 81.1101 -137.838 -59.7303 -48.9438 -216.637 PRESSAVG: 3815400 48.3581 6.30187 -15.4855 6.3019 -21.9095 7.73976 -15.4855 7.73969 -8.6894 GPRESSAVG: 3815400 48.8117 6.93582 -15.4764 5.76879 -22.2252 10.11 -17.7256 6.09111 -8.73875 TIMING: 3815400 CPU: 12062.6, 0.00322229/step Wall: 12062.6, 0.00322229/step, 1.06031 hours remaining, 239.328125 MB of memory in use. ENERGY: 3815400 3992.9804 20345.3148 14459.9501 241.3791 -203512.8508 2855.6022 0.0000 0.0000 52069.0939 -109548.5303 299.2418 -161617.6242 -109186.9074 298.4851 -74.6527 -43.6741 761107.4748 5.9197 5.9493 PRESSURE: 3815600 -214.276 -199.118 -121.574 -199.118 -51.5826 -67.482 -121.574 -67.4807 173.031 GPRESSURE: 3815600 -38.8106 -139.759 -96.6003 -284.299 -159.137 -106.945 -117.449 -90.2505 176.903 PRESSAVG: 3815600 -9.86805 17.7047 -72.0378 17.7047 22.9291 -4.74963 -72.0379 -4.74958 -2.96469 GPRESSAVG: 3815600 -9.92054 16.9248 -70.9077 17.9323 23.8719 -5.69454 -72.4545 -6.08231 -4.0588 TIMING: 3815600 CPU: 12063.2, 0.00325054/step Wall: 12063.2, 0.00325054/step, 1.06943 hours remaining, 239.328125 MB of memory in use. ENERGY: 3815600 3905.5649 20503.0106 14479.7183 238.4427 -203129.9742 2324.0861 0.0000 0.0000 51966.3783 -109712.7735 298.6515 -161679.1517 -109347.7603 298.4660 -30.9426 -7.0148 761101.5972 3.3654 3.2975 PRESSURE: 3815800 -264.387 113.987 -74.6388 113.986 -321.918 76.1608 -74.638 76.1617 -93.7984 GPRESSURE: 3815800 -233.084 -33.9649 -70.5531 63.3798 -295.476 -14.8923 -75.8458 165.696 -77.7631 PRESSAVG: 3815800 47.9079 -63.6445 -18.7499 -63.6444 -29.0412 15.1537 -18.7499 15.1537 14.3069 GPRESSAVG: 3815800 47.3825 -65.934 -18.9956 -64.9004 -30.1443 16.1595 -16.6363 15.3656 15.8549 TIMING: 3815800 CPU: 12063.9, 0.0032351/step Wall: 12063.9, 0.0032351/step, 1.06417 hours remaining, 239.328125 MB of memory in use. ENERGY: 3815800 3965.8503 20572.2586 14477.6789 258.6905 -203106.2031 2460.0399 0.0000 0.0000 51840.1102 -109531.5748 297.9258 -161371.6849 -109174.2321 298.8138 -226.7011 -202.1077 764054.8079 11.0579 11.0310 PRESSURE: 3816000 -354.86 -47.4526 9.39352 -47.4524 -113.352 -24.5157 9.39261 -24.5151 -144.702 GPRESSURE: 3816000 -223.437 -73.1277 94.0623 105.112 -158.607 -53.7991 -199.46 -32.7668 -144.986 PRESSAVG: 3816000 39.5765 -30.641 -14.2565 -30.641 -71.1278 -17.4774 -14.2564 -17.4774 -2.04509 GPRESSAVG: 3816000 40.1506 -27.0092 -14.8478 -28.8627 -71.8626 -18.4315 -15.6824 -16.7496 -2.04145 TIMING: 3816000 CPU: 12064.5, 0.00320649/step Wall: 12064.5, 0.00320649/step, 1.05458 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3816000 4004.3443 20420.4813 14465.8661 232.8608 -203158.2960 2465.2567 0.0000 0.0000 51847.3971 -109722.0897 297.9677 -161569.4867 -109360.7953 298.5914 -204.3046 -175.6766 763698.6668 -11.1988 -11.2512 PRESSURE: 3816200 -85.6997 -133.283 50.2442 -133.283 -178.996 -47.0841 50.2443 -47.085 -108.423 GPRESSURE: 3816200 -52.4571 -56.7269 126.48 -143.185 -170.346 -11.1749 39.7387 -33.4965 -74.7584 PRESSAVG: 3816200 55.9357 -54.4599 8.45031 -54.4599 -68.6024 -22.6171 8.4503 -22.6171 -4.98195 GPRESSAVG: 3816200 54.7082 -54.9199 9.66394 -56.9228 -66.9862 -22.5763 8.20484 -21.6794 -5.48114 TIMING: 3816200 CPU: 12065.2, 0.00322364/step Wall: 12065.2, 0.00322364/step, 1.06004 hours remaining, 239.328125 MB of memory in use. ENERGY: 3816200 3991.3839 20532.9780 14463.1603 242.3908 -203666.8695 2793.5925 0.0000 0.0000 52090.9579 -109552.4060 299.3675 -161643.3640 -109201.7747 298.5023 -124.3728 -99.1871 762608.1026 -5.8829 -5.9197 LDB: ============= START OF LOAD BALANCING ============== 12077.6 LDB: ============== END OF LOAD BALANCING =============== 12077.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12077.6 LDB: ============= START OF LOAD BALANCING ============== 12077.9 LDB: Largest compute 7068 load 0.036622 is 17.9% of average load 0.204414 LDB: Average compute 0.004445 is 2.2% of average load 0.204414 LDB: TIME 12077.9 LOAD: AVG 0.204414 MAX 0.230429 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 12077.9 LOAD: AVG 0.204414 MAX 0.230429 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 12077.9 LOAD: AVG 0.204414 MAX 0.227741 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 12077.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12077.9 PRESSURE: 3816400 -180.912 -9.43861 -74.4068 -9.43874 -55.6909 -53.5607 -74.407 -53.559 -198.722 GPRESSURE: 3816400 -129.885 -6.46636 -153.767 -95.639 -22.5321 -101.969 -232.951 -47.1159 -175.003 PRESSAVG: 3816400 41.9269 -31.4298 -0.116431 -31.4298 -63.145 -24.3437 -0.1164 -24.3437 -7.79184 GPRESSAVG: 3816400 43.1198 -32.2718 -1.59425 -29.9162 -63.5529 -25.639 0.253 -23.7454 -8.56388 TIMING: 3816400 CPU: 12065.8, 0.00330453/step Wall: 12065.8, 0.00330453/step, 1.08646 hours remaining, 238.613281 MB of memory in use. ENERGY: 3816400 4067.4417 20498.4466 14415.8994 245.4454 -203477.0027 2929.5134 0.0000 0.0000 51824.2423 -109496.0139 297.8346 -161320.2562 -109142.3428 298.7868 -145.1084 -109.1400 763669.7505 -9.6700 -9.6657 PRESSURE: 3816600 170.041 40.0982 56.5781 40.0974 -98.9106 -43.62 56.5788 -43.6202 140.725 GPRESSURE: 3816600 194.526 0.177855 36.1443 149.167 -37.6966 8.02915 163.761 -114.643 135.96 PRESSAVG: 3816600 15.235 -18.2988 -50.2306 -18.2988 11.0312 -12.432 -50.2307 -12.4321 -24.2323 GPRESSAVG: 3816600 14.0768 -20.26 -48.7697 -16.6156 11.2072 -10.7049 -48.1965 -15.4019 -23.1706 TIMING: 3816600 CPU: 12066.5, 0.00322107/step Wall: 12066.5, 0.00322107/step, 1.05884 hours remaining, 238.613281 MB of memory in use. ENERGY: 3816600 4059.9028 20564.2673 14398.1293 244.5087 -203658.6061 3083.5583 0.0000 0.0000 52133.7288 -109174.5110 299.6133 -161308.2398 -108815.9503 299.4358 70.6185 97.5966 761303.3784 0.6780 0.7044 PRESSURE: 3816800 100.657 -102.843 -179.951 -102.843 -44.0588 -64.8747 -179.951 -64.8742 305.562 GPRESSURE: 3816800 124.828 6.60672 -209.656 -58.0165 9.64381 -1.36454 -44.1455 -144.884 318.369 PRESSAVG: 3816800 -6.08507 3.62947 1.53156 3.62943 16.4489 -1.09061 1.5316 -1.09056 -12.241 GPRESSAVG: 3816800 -6.83251 4.1805 2.3904 2.16569 16.1026 -0.42152 -1.6775 1.824 -11.1774 TIMING: 3816800 CPU: 12067.1, 0.00319173/step Wall: 12067.1, 0.00319173/step, 1.04902 hours remaining, 238.613281 MB of memory in use. ENERGY: 3816800 3990.0563 20726.5198 14441.4138 235.9488 -203419.1887 2860.8577 0.0000 0.0000 52119.3609 -109045.0313 299.5307 -161164.3922 -108685.5598 299.2875 120.7201 150.9469 763108.9766 -0.6257 -0.6358 PRESSURE: 3817000 -459.623 -103.132 327.181 -103.132 -312.228 -51.7913 327.18 -51.7916 -251.848 GPRESSURE: 3817000 -475.07 -71.5974 269.843 -71.5806 -229.741 12.2284 222.946 -80.6664 -242.664 PRESSAVG: 3817000 -26.4277 25.0952 -36.8933 25.0952 9.63012 -5.72079 -36.8934 -5.72082 7.48655 GPRESSAVG: 3817000 -26.5031 27.3021 -38.7439 25.9615 9.43341 -7.95602 -34.7996 -4.8631 7.12267 TIMING: 3817000 CPU: 12067.8, 0.00319674/step Wall: 12067.8, 0.00319674/step, 1.05049 hours remaining, 238.613281 MB of memory in use. ENERGY: 3817000 4060.4085 20550.4919 14470.0899 258.6071 -203202.7261 2627.4820 0.0000 0.0000 52079.7295 -109155.9172 299.3029 -161235.6467 -108788.0978 299.9338 -341.2329 -315.8248 764240.2911 -3.1037 -3.3157 PRESSURE: 3817200 354.311 447.269 209.432 447.268 -22.2932 302.692 209.431 302.693 -43.723 GPRESSURE: 3817200 389.048 433.063 232.167 361.778 39.24 157.701 171.298 270.384 -38.9627 PRESSAVG: 3817200 35.8479 7.30898 54.7419 7.30896 -47.5053 41.0372 54.7419 41.0372 13.9882 GPRESSAVG: 3817200 36.1642 6.05551 55.3748 7.43204 -47.0514 41.9335 52.3543 39.9531 13.0216 TIMING: 3817200 CPU: 12068.4, 0.00320942/step Wall: 12068.4, 0.00320942/step, 1.05447 hours remaining, 238.613281 MB of memory in use. ENERGY: 3817200 3993.6932 20584.6528 14513.3375 258.6750 -203572.3315 2902.8382 0.0000 0.0000 52206.9529 -109112.1818 300.0341 -161319.1348 -108757.8779 299.9976 96.0984 129.7752 763499.5786 0.7770 0.7115 PRESSURE: 3817400 160.445 53.3879 -137.113 53.3882 -73.1232 -150.212 -137.114 -150.211 -170.868 GPRESSURE: 3817400 228.902 51.0219 -130.888 85.1446 -104.183 -198.217 -28.3907 -2.55752 -124.679 PRESSAVG: 3817400 -17.1827 -32.8628 35.8786 -32.8628 1.44166 25.1327 35.8788 25.1326 11.8803 GPRESSAVG: 3817400 -15.7315 -32.4953 34.9106 -34.3092 0.590636 24.3819 36.8546 24.3818 10.7342 TIMING: 3817400 CPU: 12069, 0.0032233/step Wall: 12069, 0.0032233/step, 1.05885 hours remaining, 238.613281 MB of memory in use. ENERGY: 3817400 4048.0660 20642.6825 14509.8591 234.2121 -203575.8925 2832.4415 0.0000 0.0000 52130.9847 -109177.6467 299.5975 -161308.6314 -108827.2798 299.9217 -27.8486 0.0133 761258.4700 -1.2869 -1.4689 PRESSURE: 3817600 -14.0234 -23.2874 45.6371 -23.287 -305.608 22.0577 45.6367 22.0588 95.8342 GPRESSURE: 3817600 29.4302 -96.6258 58.2164 40.5442 -194.633 -9.85753 -8.11996 81.165 23.2144 PRESSAVG: 3817600 19.9421 -5.23021 -14.1161 -5.23011 -54.3634 -6.18674 -14.1161 -6.18678 8.14769 GPRESSAVG: 3817600 19.4812 -4.27915 -12.543 -4.82958 -55.4535 -6.72752 -14.9811 -6.16776 9.22978 TIMING: 3817600 CPU: 12069.7, 0.0032166/step Wall: 12069.7, 0.0032166/step, 1.05647 hours remaining, 238.613281 MB of memory in use. ENERGY: 3817600 3982.4839 20753.0221 14494.4903 253.5197 -203679.5655 2778.2818 0.0000 0.0000 51958.6753 -109459.0924 298.6072 -161417.7677 -109106.8869 299.1010 -74.5992 -47.3294 761271.6135 -8.7579 -8.9142 PRESSURE: 3817800 -148.311 83.7759 42.0874 83.7742 -335.596 30.6805 42.0878 30.6806 59.3595 GPRESSURE: 3817800 -97.9359 170.099 -22.7423 90.8642 -262.983 69.3503 71.3248 -7.60602 8.62211 PRESSAVG: 3817800 42.0118 1.04972 39.6358 1.0497 -27.2074 8.42178 39.6359 8.42177 12.4853 GPRESSAVG: 3817800 41.8195 -0.86307 37.6358 3.59186 -26.8514 11.3783 41.5785 7.90748 12.5327 TIMING: 3817800 CPU: 12070.3, 0.0032047/step Wall: 12070.3, 0.0032047/step, 1.05239 hours remaining, 238.613281 MB of memory in use. ENERGY: 3817800 3944.2180 20552.1948 14536.7034 249.3413 -203389.6559 2645.8642 0.0000 0.0000 51989.9614 -109471.3729 298.7870 -161461.3343 -109092.8907 299.0223 -141.5158 -117.4322 762718.5903 9.0966 9.1669 PRESSURE: 3818000 -137.14 64.5329 283.023 64.5333 18.1018 22.1817 283.024 22.182 548.026 GPRESSURE: 3818000 -78.1182 60.6613 290.373 33.2492 77.4415 38.9899 224.078 -58.7374 524.673 PRESSAVG: 3818000 -27.2667 -30.4329 -9.96172 -30.4329 -18.7766 26.4218 -9.96173 26.4218 11.9283 GPRESSAVG: 3818000 -27.4617 -30.7445 -9.72807 -31.0711 -17.0215 24.7582 -11.1595 27.0675 11.0667 TIMING: 3818000 CPU: 12071, 0.00322111/step Wall: 12071, 0.00322111/step, 1.0576 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3818000 3985.5503 20363.4529 14454.6057 270.2288 -203491.7805 2947.8464 0.0000 0.0000 51998.1846 -109471.9119 298.8343 -161470.0965 -109095.1606 298.6683 142.9960 174.6654 762196.0541 -11.3716 -11.1388 PRESSURE: 3818200 352.94 -49.6983 113.084 -49.6985 300.09 204.691 113.084 204.69 124.984 GPRESSURE: 3818200 386.353 -41.0669 30.2895 8.09581 298.825 177.573 165.043 122.64 181.671 PRESSAVG: 3818200 -7.94265 -21.0718 -10.8633 -21.0719 -64.7269 27.2006 -10.8633 27.2006 1.21826 GPRESSAVG: 3818200 -8.07239 -18.6115 -12.1535 -23.1452 -64.099 26.6063 -8.1519 27.7195 0.63712 TIMING: 3818200 CPU: 12071.6, 0.0032577/step Wall: 12071.6, 0.0032577/step, 1.06943 hours remaining, 238.613281 MB of memory in use. ENERGY: 3818200 3949.6568 20560.4428 14461.5327 252.3866 -203827.5088 3037.9319 0.0000 0.0000 52093.5972 -109471.9609 299.3826 -161565.5581 -109115.0701 299.0250 259.3380 288.9494 759971.3528 -23.8171 -23.8448 PRESSURE: 3818400 -249.189 35.2506 158.964 35.2519 109.069 -67.3698 158.965 -67.3694 24.272 GPRESSURE: 3818400 -177.326 97.4179 191.042 55.6964 99.1002 -153.127 187.493 32.9832 39.4282 PRESSAVG: 3818400 -19.9164 0.224092 25.2877 0.224088 4.2976 46.604 25.2877 46.604 -14.2813 GPRESSAVG: 3818400 -19.4222 -2.4175 25.8973 0.517796 2.93511 47.0161 22.5129 45.0211 -13.2331 TIMING: 3818400 CPU: 12072.3, 0.00329539/step Wall: 12072.3, 0.00329539/step, 1.08162 hours remaining, 238.613281 MB of memory in use. ENERGY: 3818400 3908.1298 20621.0234 14490.4027 263.8026 -203437.4016 2598.7989 0.0000 0.0000 51959.4810 -109595.7633 298.6119 -161555.2443 -109237.7614 298.7322 -38.6161 -12.9324 761400.4950 -9.9667 -9.9067 PRESSURE: 3818600 66.5236 -84.0213 -195.112 -84.0213 -156.249 20.0723 -195.113 20.072 313.541 GPRESSURE: 3818600 17.7058 57.0156 -173.98 -189.767 -118.711 -9.22119 -111.245 -58.4313 411.148 PRESSAVG: 3818600 43.409 3.74244 7.20499 3.74251 -16.1492 41.1741 7.20499 41.174 -13.3517 GPRESSAVG: 3818600 43.275 6.93307 8.50305 2.78342 -15.6715 42.0667 8.00501 44.299 -13.4613 TIMING: 3818600 CPU: 12072.9, 0.00325282/step Wall: 12072.9, 0.00325282/step, 1.06747 hours remaining, 238.613281 MB of memory in use. ENERGY: 3818600 3903.6585 20549.3910 14464.5132 247.9865 -203669.4774 2843.6940 0.0000 0.0000 51974.6155 -109685.6188 298.6988 -161660.2343 -109322.3337 298.0898 74.6050 103.3810 761607.1696 4.6360 4.7141 PRESSURE: 3818800 448.193 -91.0858 -17.2596 -91.0859 232.921 -235.51 -17.2582 -235.51 436.878 GPRESSURE: 3818800 567.885 -148.548 -44.9494 -105.27 212.183 -190.799 -118.298 -163.173 435.272 PRESSAVG: 3818800 45.5768 22.0239 70.6035 22.0239 -16.3894 50.5653 70.6035 50.5654 13.5064 GPRESSAVG: 3818800 46.1095 19.2825 69.7102 23.8013 -16.9326 49.8676 69.5725 49.3824 13.2818 TIMING: 3818800 CPU: 12073.6, 0.00324111/step Wall: 12073.6, 0.00324112/step, 1.06345 hours remaining, 238.613281 MB of memory in use. ENERGY: 3818800 4018.7536 20611.5606 14384.0272 251.5917 -203799.4438 2975.8368 0.0000 0.0000 51779.1539 -109778.5200 297.5755 -161557.6740 -109425.5689 298.6172 372.6638 405.1130 761845.6285 14.2312 14.1529 PRESSURE: 3819000 88.2501 169.868 -213.069 169.868 -2.53332 -223.88 -213.069 -223.88 -92.6707 GPRESSURE: 3819000 -7.17709 145.722 -162.798 149.702 15.3925 -144.138 -155.194 -217.708 52.5303 PRESSAVG: 3819000 16.0061 -22.575 44.3656 -22.575 -35.5888 -47.459 44.3656 -47.4589 12.2903 GPRESSAVG: 3819000 15.5587 -21.4767 45.643 -24.4793 -35.4963 -47.6244 45.3342 -48.2577 13.1338 TIMING: 3819000 CPU: 12074.2, 0.00324457/step Wall: 12074.2, 0.00324457/step, 1.0644 hours remaining, 238.613281 MB of memory in use. ENERGY: 3819000 4046.9963 20629.0374 14422.8793 249.7141 -203600.4712 2771.4242 0.0000 0.0000 51555.4950 -109924.9248 296.2901 -161480.4198 -109572.1532 297.8406 -2.3180 20.2486 762841.3731 -2.4308 -2.2679 PRESSURE: 3819200 51.2844 -190.421 -119.464 -190.421 -134.764 -403.4 -119.463 -403.399 408.727 GPRESSURE: 3819200 40.3765 -188.148 -183.961 -209.993 -36.9469 -387.194 -67.178 -256.415 394.162 PRESSAVG: 3819200 51.9114 -10.8168 -30.3505 -10.8168 -8.59576 -4.76851 -30.3505 -4.76849 -8.4457 GPRESSAVG: 3819200 51.2266 -12.3637 -32.0346 -7.89927 -6.92789 -4.4807 -28.6267 -4.35207 -9.66337 TIMING: 3819200 CPU: 12074.9, 0.0032516/step Wall: 12074.9, 0.00325161/step, 1.06653 hours remaining, 238.613281 MB of memory in use. ENERGY: 3819200 3974.7900 20473.1842 14430.5973 251.8340 -203609.9545 2811.0023 0.0000 0.0000 51733.0883 -109935.4585 297.3108 -161668.5468 -109573.0148 298.4387 108.4158 132.5307 762489.0566 11.6233 11.5451 PRESSURE: 3819400 -144.836 -79.746 55.7905 -79.7464 150.624 140.907 55.7912 140.907 375.832 GPRESSURE: 3819400 -99.1635 -97.272 43.2504 -152.821 180.529 121.13 9.28434 113.25 379.58 PRESSAVG: 3819400 -17.9649 54.7944 7.33693 54.7943 4.93238 0.121901 7.33688 0.121956 12.9262 GPRESSAVG: 3819400 -16.7115 55.6476 9.23204 52.5426 4.22765 -0.39464 4.82119 -1.05789 12.4644 TIMING: 3819400 CPU: 12075.5, 0.00323421/step Wall: 12075.5, 0.00323421/step, 1.06064 hours remaining, 238.613281 MB of memory in use. ENERGY: 3819400 3955.3148 20450.5796 14471.5244 255.4854 -203456.7193 2734.2057 0.0000 0.0000 51769.0766 -109820.5329 297.5176 -161589.6094 -109461.5897 298.1496 127.2068 153.6484 762628.8436 -0.0354 -0.0065 PRESSURE: 3819600 -173.048 -48.6919 -156.358 -48.6918 -90.3169 71.6592 -156.356 71.6592 50.1564 GPRESSURE: 3819600 -98.6457 -0.913084 -218.716 -46.3678 -137.427 66.3637 -211.666 39.8411 86.5478 PRESSAVG: 3819600 1.25683 5.77005 -15.6929 5.77003 3.23526 17.6608 -15.6929 17.6608 15.5508 GPRESSAVG: 3819600 1.01512 5.62874 -18.1764 6.49719 1.02229 18.5791 -14.8559 19.2711 17.5844 TIMING: 3819600 CPU: 12076.2, 0.00325452/step Wall: 12076.2, 0.00325452/step, 1.06712 hours remaining, 238.613281 MB of memory in use. ENERGY: 3819600 4014.7231 20737.3529 14491.7967 247.8703 -203513.1886 2462.4136 0.0000 0.0000 51857.6767 -109701.3554 298.0268 -161559.0321 -109347.0479 298.8444 -71.0693 -49.8416 759954.7515 6.6810 6.5406 PRESSURE: 3819800 100.487 3.7961 10.4883 3.79632 244.372 105.854 10.488 105.853 166.845 GPRESSURE: 3819800 181.59 88.6537 -41.7219 -39.1983 161.684 96.2148 92.7059 113.107 222.857 PRESSAVG: 3819800 -25.0174 -4.38927 15.4416 -4.38927 -4.14609 24.6144 15.4416 24.6145 11.2194 GPRESSAVG: 3819800 -25.3922 -3.25728 16.1859 -3.94725 -3.90891 24.3911 16.7562 24.9943 11.0168 TIMING: 3819800 CPU: 12076.8, 0.00328512/step Wall: 12076.8, 0.00328512/step, 1.07697 hours remaining, 238.613281 MB of memory in use. ENERGY: 3819800 3967.2912 20659.2132 14415.4141 228.3872 -203548.4642 2569.9306 0.0000 0.0000 51873.9192 -109834.3086 298.1201 -161708.2278 -109472.0951 298.6744 170.5678 188.7104 761775.0462 -5.9814 -6.0948 PRESSURE: 3820000 -56.7464 12.2714 66.938 12.2702 -157.352 20.2806 66.9381 20.2799 197.966 GPRESSURE: 3820000 -136.21 -17.6858 101.156 -117.213 -19.3124 -65.9231 1.89596 -137.165 219.988 PRESSAVG: 3820000 2.62209 -53.0818 -20.2089 -53.0818 -22.9074 45.305 -20.209 45.305 25.7117 GPRESSAVG: 3820000 2.13055 -54.2565 -19.2239 -52.4789 -20.5921 45.7812 -19.9918 44.9625 24.3228 TIMING: 3820000 CPU: 12077.5, 0.00330775/step Wall: 12077.5, 0.00330775/step, 1.08421 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3820000 3887.8156 20581.9547 14458.8277 249.5763 -203436.6791 2600.4794 0.0000 0.0000 51940.0849 -109717.9405 298.5004 -161658.0254 -109353.9631 298.4217 -5.3773 21.4887 761758.1507 1.8088 1.9538 PRESSURE: 3820200 -72.3966 -94.6678 -10.3343 -94.6679 -22.4605 3.46657 -10.3348 3.46642 -8.68887 GPRESSURE: 3820200 3.33822 -137.816 -1.95502 -53.4152 48.3602 45.7762 -71.8747 -82.957 -54.5628 PRESSAVG: 3820200 -13.8978 -45.3693 -30.8244 -45.3693 16.4403 -33.2666 -30.8244 -33.2667 -19.9524 GPRESSAVG: 3820200 -12.8842 -45.5643 -30.3754 -47.5211 14.2313 -32.7491 -33.7369 -33.9531 -18.8723 TIMING: 3820200 CPU: 12078.1, 0.00323555/step Wall: 12078.1, 0.00323555/step, 1.06036 hours remaining, 238.613281 MB of memory in use. ENERGY: 3820200 4025.1367 20591.5181 14410.5939 239.3264 -203623.1479 2785.7730 0.0000 0.0000 51950.5439 -109620.2559 298.5605 -161570.7998 -109262.3626 298.7348 -34.5153 -0.9548 761334.7746 -5.8033 -5.8417 LDB: ============= START OF LOAD BALANCING ============== 12090.6 LDB: ============== END OF LOAD BALANCING =============== 12090.6 LDB: =============== DONE WITH MIGRATION ================ 12090.6 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12090.9 LDB: Largest compute 7031 load 0.034186 is 16.8% of average load 0.202995 LDB: Average compute 0.004440 is 2.2% of average load 0.202995 LDB: TIME 12090.9 LOAD: AVG 0.202995 MAX 0.229731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 12090.9 LOAD: AVG 0.202995 MAX 0.229731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 12090.9 LOAD: AVG 0.202995 MAX 0.228034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 12090.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12090.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 3820400 97.6514 90.0375 -62.4879 90.0375 187.294 63.7525 -62.4869 63.7524 22.6714 GPRESSURE: 3820400 147.083 14.5336 -83.8835 83.0393 253.946 -16.3686 71.0177 189.843 2.044 PRESSAVG: 3820400 19.1902 -52.691 6.3607 -52.691 32.3206 8.06465 6.36063 8.06462 -1.51256 GPRESSAVG: 3820400 19.153 -51.6714 4.6636 -52.0424 33.7653 7.24668 8.6896 10.2918 -2.70732 TIMING: 3820400 CPU: 12078.8, 0.00330204/step Wall: 12078.8, 0.00330204/step, 1.08197 hours remaining, 239.125000 MB of memory in use. ENERGY: 3820400 3999.9277 20602.9600 14411.5786 239.0351 -203282.5508 2564.0758 0.0000 0.0000 52052.7031 -109412.2707 299.1476 -161464.9738 -109049.4700 299.0925 102.5389 134.3575 761361.3054 16.6661 16.7370 PRESSURE: 3820600 171.958 -81.2154 211.721 -81.2158 85.3757 106.113 211.72 106.113 99.951 GPRESSURE: 3820600 255.309 35.8755 203.438 -103.21 99.3249 26.623 216.73 138.502 91.6391 PRESSAVG: 3820600 39.6584 -35.6077 15.8406 -35.6076 -16.5937 -33.3666 15.8406 -33.3666 -2.07324 GPRESSAVG: 3820600 38.966 -35.533 16.7258 -34.69 -17.1319 -33.4324 15.9286 -35.4591 -0.879251 TIMING: 3820600 CPU: 12079.5, 0.00324445/step Wall: 12079.5, 0.00324445/step, 1.06292 hours remaining, 239.125000 MB of memory in use. ENERGY: 3820600 3993.7486 20687.6383 14388.9032 254.5806 -203259.6871 2608.8169 0.0000 0.0000 51947.6534 -109378.3462 298.5439 -161325.9996 -109026.6215 298.9652 119.0947 148.7577 761925.4108 6.9971 6.9850 PRESSURE: 3820800 -16.352 54.0845 26.9256 54.085 371.106 126.96 26.9264 126.961 281.206 GPRESSURE: 3820800 127.228 122.55 64.2439 -65.9068 376.058 95.3283 -79.0624 161.526 236.164 PRESSAVG: 3820800 -10.8101 2.43067 42.8584 2.43074 43.2323 60.9838 42.8583 60.9838 2.26946 GPRESSAVG: 3820800 -11.4227 6.19982 44.1195 0.854664 44.6375 60.9849 41.8772 61.4279 1.33875 TIMING: 3820800 CPU: 12080.1, 0.00322774/step Wall: 12080.1, 0.00322774/step, 1.05727 hours remaining, 239.125000 MB of memory in use. ENERGY: 3820800 3880.4072 20650.7224 14452.8594 247.7641 -203588.1910 2605.8642 0.0000 0.0000 52285.1923 -109465.3815 300.4837 -161750.5738 -109103.0458 299.1898 211.9866 246.4831 760523.3023 11.5639 11.5178 PRESSURE: 3821000 104.625 -128.748 110.623 -128.749 -188.81 -141.089 110.623 -141.088 -211.818 GPRESSURE: 3821000 114.732 -172.277 85.7819 -101.447 -77.8257 -124.72 73.3192 -145.381 -247.436 PRESSAVG: 3821000 19.2388 10.3784 46.3732 10.3785 -68.6897 14.2684 46.3732 14.2684 12.4678 GPRESSAVG: 3821000 20.1099 7.16604 46.8412 10.6433 -69.3715 15.5135 45.7732 12.1274 11.7718 TIMING: 3821000 CPU: 12080.8, 0.00324591/step Wall: 12080.8, 0.00324591/step, 1.06304 hours remaining, 239.125000 MB of memory in use. ENERGY: 3821000 4003.1305 20581.4546 14514.5551 264.0828 -203391.0580 2680.1855 0.0000 0.0000 52159.5035 -109188.1461 299.7614 -161347.6497 -108815.1533 299.3436 -98.6676 -70.1763 761782.1017 -12.3277 -12.4966 PRESSURE: 3821200 -54.3345 -216.771 71.9698 -216.77 -399 -117.955 71.9696 -117.955 -159.89 GPRESSURE: 3821200 -15.9689 -165.746 108.92 -81.6059 -292.115 -123.692 61.1157 -54.1822 -217.894 PRESSAVG: 3821200 15.6907 -36.6991 51.0846 -36.6991 -85.6993 -16.3839 51.0846 -16.3839 3.08147 GPRESSAVG: 3821200 14.2664 -36.6438 49.5044 -32.9202 -85.6658 -18.0875 51.6465 -14.3084 4.60735 TIMING: 3821200 CPU: 12081.4, 0.00326941/step Wall: 12081.4, 0.00326941/step, 1.07055 hours remaining, 239.125000 MB of memory in use. ENERGY: 3821200 3971.7362 20719.9834 14433.7491 230.2208 -203338.5468 2379.0458 0.0000 0.0000 52393.3645 -109210.4471 301.1054 -161603.8116 -108839.7080 300.1872 -204.4082 -175.3260 762000.1897 -22.3090 -22.2640 PRESSURE: 3821400 -315.761 -153.782 -137.408 -153.782 257.647 246.345 -137.407 246.346 29.8781 GPRESSURE: 3821400 -332.947 -153.539 -161.593 -79.4409 314.631 367.605 -96.1488 214.845 87.3001 PRESSAVG: 3821400 16.8006 -72.7378 12.7518 -72.7378 -14.8585 -1.10861 12.7518 -1.1086 -17.4475 GPRESSAVG: 3821400 16.9734 -73.9316 13.0453 -73.2737 -15.0638 0.137196 12.9664 -0.992833 -18.2802 TIMING: 3821400 CPU: 12082.1, 0.00322853/step Wall: 12082.1, 0.00322853/step, 1.05698 hours remaining, 239.125000 MB of memory in use. ENERGY: 3821400 4016.6320 20619.1207 14465.6203 278.4572 -203908.2899 2914.4869 0.0000 0.0000 52250.4377 -109363.5350 300.2840 -161613.9728 -109006.6232 299.7827 -9.4120 22.9946 761191.9895 -5.1685 -5.4569 PRESSURE: 3821600 -25.1368 57.7223 6.254 57.722 42.0196 -62.5394 6.25386 -62.54 122.229 GPRESSURE: 3821600 -5.6426 33.5269 118.823 -48.9721 52.9861 54.0214 84.9201 -76.6918 197.882 PRESSAVG: 3821600 -23.2902 -17.658 39.5511 -17.658 -32.2277 5.74683 39.551 5.74697 8.31674 GPRESSAVG: 3821600 -22.9044 -15.5855 38.849 -18.5568 -32.076 5.15529 41.3013 7.34073 8.55147 TIMING: 3821600 CPU: 12082.7, 0.00322839/step Wall: 12082.7, 0.00322838/step, 1.05676 hours remaining, 239.125000 MB of memory in use. ENERGY: 3821600 4093.8780 20514.8731 14458.9318 235.0831 -203947.3498 3139.7554 0.0000 0.0000 51893.4099 -109611.4186 298.2321 -161504.8285 -109253.2886 299.4401 46.3705 81.7418 762247.4434 -15.7337 -15.4763 PRESSURE: 3821800 218.742 -250.241 -57.2675 -250.24 70.7356 207.316 -57.267 207.315 -126.476 GPRESSURE: 3821800 142.123 -225.502 -46.1022 -177.147 123.753 299.701 66.0437 103.664 -17.6875 PRESSAVG: 3821800 107.656 -19.1709 51.4102 -19.171 -47.0128 -0.0264864 51.4102 -0.0265042 -1.32387 GPRESSAVG: 3821800 107.345 -20.7054 49.743 -19.901 -47.7137 0.19875 51.022 -2.9662 -0.659153 TIMING: 3821800 CPU: 12083.3, 0.00324859/step Wall: 12083.3, 0.00324859/step, 1.06319 hours remaining, 239.125000 MB of memory in use. ENERGY: 3821800 4031.7085 20406.7218 14341.4121 242.7243 -203954.4435 2970.0130 0.0000 0.0000 52170.0241 -109791.8397 299.8218 -161961.8638 -109419.8129 298.8148 54.3341 82.7292 762590.6906 19.7730 19.6575 PRESSURE: 3822000 -253.069 18.0554 167.006 18.0553 -127.347 5.07083 167.006 5.07112 -169.47 GPRESSURE: 3822000 -118.621 -32.6434 220.011 94.4916 -164.553 20.9463 54.5165 -83.1184 -192.573 PRESSAVG: 3822000 73.9998 -52.1807 15.5042 -52.1808 -54.0096 23.7269 15.5042 23.7268 3.01664 GPRESSAVG: 3822000 75.4684 -52.5546 15.1948 -53.0335 -54.5506 23.645 15.0085 24.2131 2.37566 TIMING: 3822000 CPU: 12084, 0.00323718/step Wall: 12084, 0.00323718/step, 1.05928 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3822000 4060.6098 20686.6507 14510.0314 234.7802 -203782.6712 2678.9299 0.0000 0.0000 51801.3451 -109810.3241 297.7030 -161611.6691 -109455.2501 298.6775 -183.2954 -158.5823 762403.1859 7.6690 7.7645 PRESSURE: 3822200 82.4468 -37.7899 60.2403 -37.7892 202.144 -133.933 60.2393 -133.931 11.0513 GPRESSURE: 3822200 128.503 -76.0287 25.7803 -73.3809 159.534 -106.204 164.583 -152.06 96.8739 PRESSAVG: 3822200 53.997 -4.23825 40.5445 -4.23821 -34.5204 7.15174 40.5444 7.15169 6.5421 GPRESSAVG: 3822200 53.3089 -4.07686 41.9442 -4.90066 -33.3807 8.13916 41.3446 5.46347 6.16026 TIMING: 3822200 CPU: 12084.6, 0.00323549/step Wall: 12084.6, 0.00323549/step, 1.05855 hours remaining, 239.125000 MB of memory in use. ENERGY: 3822200 4028.4062 20642.5196 14484.7504 258.9861 -203984.1628 2899.4819 0.0000 0.0000 52130.8989 -109539.1197 299.5970 -161670.0186 -109176.4217 298.5433 98.5474 128.3037 761089.0714 8.6729 8.6962 PRESSURE: 3822400 -169.409 -71.1733 70.5935 -71.174 -254.757 -65.608 70.5939 -65.6084 -118.659 GPRESSURE: 3822400 -159.114 -63.5611 34.1998 74.9808 -181.688 -69.8168 94.4989 -34.8507 -110.213 PRESSAVG: 3822400 -4.70885 -53.1683 8.03325 -53.1683 -19.4471 -22.0686 8.03322 -22.0685 12.3166 GPRESSAVG: 3822400 -4.53309 -52.2214 8.63228 -49.9642 -19.4177 -22.0583 5.90602 -19.4832 12.2598 TIMING: 3822400 CPU: 12085.3, 0.00324209/step Wall: 12085.3, 0.00324209/step, 1.06052 hours remaining, 239.125000 MB of memory in use. ENERGY: 3822400 4041.9720 20626.6087 14478.0603 225.0924 -203816.9364 2881.1556 0.0000 0.0000 52070.9653 -109493.0822 299.2526 -161564.0475 -109126.9836 299.0863 -180.9420 -150.3385 761605.1485 -3.9465 -3.8970 PRESSURE: 3822600 -135.376 -193.345 -164.521 -193.344 -366.12 172.454 -164.52 172.454 -77.2323 GPRESSURE: 3822600 -153.569 -112.914 -195.324 -140.26 -306.852 141.204 -128.102 125.938 -56.8319 PRESSAVG: 3822600 83.1199 -1.84876 23.4887 -1.84874 -99.8824 -35.551 23.4887 -35.5511 19.645 GPRESSAVG: 3822600 82.8916 0.0166656 20.7402 -3.72352 -100.5 -33.8487 25.3779 -36.676 20.3724 TIMING: 3822600 CPU: 12085.9, 0.00324659/step Wall: 12085.9, 0.00324659/step, 1.06181 hours remaining, 239.125000 MB of memory in use. ENERGY: 3822600 4013.3847 20748.8663 14401.9994 258.1685 -203434.1991 2558.5560 0.0000 0.0000 51932.0735 -109521.1507 298.4543 -161453.2243 -109158.3679 299.3087 -192.9093 -172.4176 763463.1840 0.9608 0.9213 PRESSURE: 3822800 -74.4145 88.4123 -238.243 88.4119 223.822 -81.3775 -238.243 -81.3774 -201.335 GPRESSURE: 3822800 36.7144 34.0735 -255.104 59.7757 216.407 -105.863 -258.41 -19.8443 -192.358 PRESSAVG: 3822800 19.2943 6.37409 -18.5627 6.37411 -22.5769 52.889 -18.5627 52.889 -1.73017 GPRESSAVG: 3822800 18.4347 4.89604 -15.8249 5.71706 -21.8055 52.2577 -20.02 51.8725 -1.45665 TIMING: 3822800 CPU: 12086.6, 0.00324286/step Wall: 12086.6, 0.00324287/step, 1.06042 hours remaining, 239.125000 MB of memory in use. ENERGY: 3822800 4012.0426 20629.3292 14424.5483 237.3682 -203299.8152 2650.9524 0.0000 0.0000 51836.8144 -109508.7600 297.9069 -161345.5744 -109149.3549 299.1691 -17.3092 20.2547 762421.2929 -1.6709 -1.6092 PRESSURE: 3823000 222.266 -153.434 94.4949 -153.435 160.847 -273.23 94.4957 -273.231 215.279 GPRESSURE: 3823000 187 -153.197 131.613 -188.367 212.344 -158.476 207.915 -229.901 286.698 PRESSAVG: 3823000 -6.11872 -8.47205 51.1962 -8.47201 -30.6647 28.0184 51.1961 28.0184 0.643155 GPRESSAVG: 3823000 -5.72091 -8.20118 50.3923 -9.33347 -31.4225 27.4596 50.3227 28.5979 0.777444 TIMING: 3823000 CPU: 12087.2, 0.00323112/step Wall: 12087.2, 0.00323112/step, 1.0564 hours remaining, 239.125000 MB of memory in use. ENERGY: 3823000 3967.5824 20463.1610 14506.9941 241.8999 -203616.2044 2811.9292 0.0000 0.0000 52020.1268 -109604.5110 298.9604 -161624.6378 -109234.3111 299.2876 199.4643 228.6804 762856.2114 -12.0468 -12.1220 PRESSURE: 3823200 -35.824 -196.914 315.05 -196.915 229.27 -190.929 315.05 -190.928 69.4283 GPRESSURE: 3823200 16.2878 -158.296 300.522 -211.497 314.782 -226.513 283.118 -123.106 8.18213 PRESSAVG: 3823200 31.7279 -29.8714 46.0926 -29.8712 15.7536 -57.7742 46.0926 -57.7742 29.5017 GPRESSAVG: 3823200 31.977 -28.6445 46.4747 -27.7824 16.3259 -56.3669 46.4929 -56.5393 28.4653 TIMING: 3823200 CPU: 12087.9, 0.00324538/step Wall: 12087.9, 0.00324539/step, 1.06088 hours remaining, 239.125000 MB of memory in use. ENERGY: 3823200 4032.6855 20417.2040 14387.1487 257.6977 -203568.6492 2723.6350 0.0000 0.0000 51949.7689 -109800.5095 298.5560 -161750.2784 -109440.0995 298.9176 87.6247 113.0839 763009.0868 25.6611 25.5894 PRESSURE: 3823400 -64.047 -96.498 321.772 -96.4981 33.7211 38.1841 321.771 38.1817 230.185 GPRESSURE: 3823400 -58.898 -139.393 358.643 -90.178 70.228 -15.1247 229.545 45.8313 276.709 PRESSAVG: 3823400 27.128 11.4608 57.8722 11.4608 -48.4447 14.0343 57.8722 14.0343 -21.061 GPRESSAVG: 3823400 26.5989 10.5097 57.9249 10.5639 -48.981 12.0116 57.3024 13.7645 -20.0597 TIMING: 3823400 CPU: 12088.5, 0.00325947/step Wall: 12088.5, 0.00325947/step, 1.0653 hours remaining, 239.125000 MB of memory in use. ENERGY: 3823400 3966.0381 20537.7084 14450.8136 255.1051 -203789.1375 2895.6185 0.0000 0.0000 51981.5647 -109702.2891 298.7388 -161683.8538 -109350.4039 298.6151 66.6196 96.0131 763078.7759 -14.1259 -14.1473 PRESSURE: 3823600 261.175 35.5331 52.2778 35.5327 68.7978 192.57 52.277 192.57 -420.278 GPRESSURE: 3823600 233.479 150.34 -31.2021 39.7227 132.531 239.204 58.8104 180.631 -375.418 PRESSAVG: 3823600 25.7393 -43.6442 28.7093 -43.6442 1.92565 13.8841 28.7092 13.884 0.449814 GPRESSAVG: 3823600 26.2573 -43.2537 27.6793 -44.5053 2.37407 16.0435 32.1136 11.8346 -0.366008 TIMING: 3823600 CPU: 12089.2, 0.00325758/step Wall: 12089.2, 0.00325758/step, 1.06451 hours remaining, 239.125000 MB of memory in use. ENERGY: 3823600 4036.1592 20507.0281 14419.2892 250.2171 -203360.2675 2724.3961 0.0000 0.0000 51986.7972 -109436.3806 298.7688 -161423.1778 -109079.2278 298.7740 -30.1019 -3.1360 762503.2502 9.3716 9.4218 PRESSURE: 3823800 -87.2059 -213.614 -38.5421 -213.614 -323.784 49.0433 -38.5421 49.0438 57.4047 GPRESSURE: 3823800 -75.3473 -219.306 -29.4252 -115.747 -217.503 113.441 -16.733 38.3631 15.541 PRESSAVG: 3823800 29.1535 -1.5966 -31.0274 -1.59661 -36.301 86.5391 -31.0274 86.5391 -15.3413 GPRESSAVG: 3823800 28.766 -3.67438 -29.8176 0.667014 -37.4541 84.8083 -33.3965 88.7992 -14.4502 TIMING: 3823800 CPU: 12089.8, 0.00324649/step Wall: 12089.8, 0.00324649/step, 1.0607 hours remaining, 239.125000 MB of memory in use. ENERGY: 3823800 3961.2831 20629.6121 14402.8520 227.0439 -203810.0201 2725.8936 0.0000 0.0000 52259.6416 -109603.6939 300.3369 -161863.3355 -109243.9235 299.4588 -117.8618 -92.4363 761770.5722 -7.4963 -7.7128 PRESSURE: 3824000 58.8069 133.983 84.707 133.982 -31.6322 -113.155 84.7064 -113.155 -244.166 GPRESSURE: 3824000 53.5 -35.8483 196.332 62.5692 4.03662 -164.918 59.221 -109.296 -200.012 PRESSAVG: 3824000 21.0226 -17.8263 -20.8498 -17.8263 39.8532 -17.5524 -20.8498 -17.5524 -7.51977 GPRESSAVG: 3824000 21.2622 -16.2209 -19.9792 -18.3155 40.377 -16.9145 -22.4539 -18.933 -8.52765 TIMING: 3824000 CPU: 12090.5, 0.00322887/step Wall: 12090.5, 0.00322887/step, 1.05476 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3824000 3972.1817 20504.7199 14444.5411 245.4088 -203541.9909 2663.8967 0.0000 0.0000 52178.0391 -109533.2036 299.8679 -161711.2427 -109168.9163 299.3379 -72.3305 -47.4918 760247.1624 17.7853 17.7038 PRESSURE: 3824200 108.145 -155.972 116.604 -155.972 258.201 -80.9509 116.604 -80.9512 226.888 GPRESSURE: 3824200 68.3573 -154.957 168.731 -154.576 359.238 -103.841 129.936 -61.6738 243.5 PRESSAVG: 3824200 -34.9425 -12.6404 -9.45432 -12.6404 43.0327 -16.3397 -9.45428 -16.3397 4.99441 GPRESSAVG: 3824200 -34.6667 -13.0302 -9.21594 -12.2907 43.4868 -17.1312 -9.86486 -15.7357 5.11787 TIMING: 3824200 CPU: 12091.1, 0.00323915/step Wall: 12091.1, 0.00323915/step, 1.05794 hours remaining, 239.125000 MB of memory in use. ENERGY: 3824200 4065.8440 20359.6237 14482.0781 263.2035 -203817.7031 2884.7408 0.0000 0.0000 52224.2451 -109537.9681 300.1335 -161762.2131 -109179.8312 299.0222 197.7448 223.6982 761913.0721 4.3615 4.6460 LDB: ============= START OF LOAD BALANCING ============== 12103.5 LDB: ============== END OF LOAD BALANCING =============== 12103.5 LDB: =============== DONE WITH MIGRATION ================ 12103.5 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12103.9 LDB: Largest compute 7031 load 0.035174 is 17.2% of average load 0.203951 LDB: Average compute 0.004431 is 2.2% of average load 0.203951 LDB: TIME 12103.9 LOAD: AVG 0.203951 MAX 0.230443 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 12103.9 LOAD: AVG 0.203951 MAX 0.230443 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 12103.9 LOAD: AVG 0.203951 MAX 0.229584 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 12103.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12103.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 3824400 -46.2654 134.055 -283.167 134.054 -288.168 121.549 -283.167 121.548 245.468 GPRESSURE: 3824400 14.9894 71.4502 -223.387 172.747 -252.849 47.1443 -166.533 143.242 245.231 PRESSAVG: 3824400 48.2973 -9.33771 -22.1245 -9.33777 -18.9901 11.4451 -22.1245 11.4451 -8.06963 GPRESSAVG: 3824400 47.123 -8.34452 -24.9953 -10.1911 -18.7228 11.7008 -18.9457 10.4075 -7.2865 TIMING: 3824400 CPU: 12091.8, 0.00330278/step Wall: 12091.8, 0.00330278/step, 1.07854 hours remaining, 239.695312 MB of memory in use. ENERGY: 3824400 3915.7337 20590.8214 14543.1263 245.3702 -203388.4696 2572.4965 0.0000 0.0000 52119.0304 -109401.8911 299.5288 -161520.9215 -109037.8069 299.5748 -29.6552 2.4570 761052.6736 7.0792 7.0379 PRESSURE: 3824600 32.365 7.76136 17.4068 7.76103 113.881 1.57388 17.4064 1.57552 -22.2763 GPRESSURE: 3824600 184.351 -24.5826 -10.8338 -19.7225 34.2403 -24.5654 -82.7152 5.61702 -5.34177 PRESSAVG: 3824600 41.0105 -28.9606 -61.0101 -28.9607 -4.58622 -21.1694 -61.0101 -21.1694 5.4814 GPRESSAVG: 3824600 43.3798 -29.7213 -59.9998 -28.693 -6.37007 -20.1802 -60.9152 -19.9227 4.79972 TIMING: 3824600 CPU: 12092.4, 0.00323323/step Wall: 12092.4, 0.00323323/step, 1.05565 hours remaining, 239.765625 MB of memory in use. ENERGY: 3824600 3944.0071 20527.1216 14439.6442 232.9462 -203485.9199 2820.1109 0.0000 0.0000 52143.3449 -109378.7449 299.6685 -161522.0899 -109012.9508 299.3735 41.3231 71.0833 761275.6266 13.9685 13.9365 PRESSURE: 3824800 -252.112 -61.1949 47.5686 -61.1951 7.99879 -156.034 47.5683 -156.033 -54.1377 GPRESSURE: 3824800 -200.913 -98.7796 -2.12489 -21.6409 -12.7469 -107.51 162.909 33.6344 16.9442 PRESSAVG: 3824800 5.73458 -39.5922 12.9402 -39.5922 3.19459 -28.3574 12.9402 -28.3574 -10.3284 GPRESSAVG: 3824800 5.02299 -39.1617 12.4724 -39.4742 3.76717 -27.8569 12.8749 -28.6106 -10.5686 TIMING: 3824800 CPU: 12093.1, 0.00323533/step Wall: 12093.1, 0.00323533/step, 1.05615 hours remaining, 239.765625 MB of memory in use. ENERGY: 3824800 3911.7102 20677.6027 14442.7133 255.2165 -203251.7796 2405.3017 0.0000 0.0000 52007.3263 -109551.9088 298.8868 -161559.2352 -109188.4431 299.4458 -99.4169 -65.5720 760099.1904 -0.4664 -0.5928 PRESSURE: 3825000 109.378 -55.0084 86.0704 -55.0077 -155.612 132.778 86.0706 132.777 9.2347 GPRESSURE: 3825000 182.053 -106.697 125.452 19.99 -113.739 44.0768 81.3384 48.8019 -25.3149 PRESSAVG: 3825000 64.1404 -43.2708 18.9863 -43.2708 -47.7768 7.57465 18.9863 7.57462 7.43438 GPRESSAVG: 3825000 63.9909 -43.3602 20.4331 -43.3933 -46.5201 6.14815 19.1838 8.16704 6.12563 TIMING: 3825000 CPU: 12093.7, 0.00321484/step Wall: 12093.7, 0.00321485/step, 1.04929 hours remaining, 239.765625 MB of memory in use. ENERGY: 3825000 3887.4094 20379.9277 14436.7831 235.6738 -203721.6564 2704.0560 0.0000 0.0000 52261.0108 -109816.7956 300.3447 -162077.8065 -109449.9622 299.1785 -12.3331 14.3331 759827.4306 7.9327 7.8655 PRESSURE: 3825200 -190.215 -150.89 -33.8238 -150.89 -52.3977 92.8888 -33.8241 92.8889 246.092 GPRESSURE: 3825200 -82.8765 -118.792 13.5721 -259.279 -81.2634 27.5863 31.3935 140.375 269.525 PRESSAVG: 3825200 -11.5892 -71.1894 25.2747 -71.1894 6.73036 54.7455 25.2747 54.7455 -17.3281 GPRESSAVG: 3825200 -11.1228 -71.7861 24.5867 -71.515 4.78722 54.8049 24.393 52.9347 -15.6859 TIMING: 3825200 CPU: 12094.4, 0.00323156/step Wall: 12094.4, 0.00323156/step, 1.05456 hours remaining, 239.765625 MB of memory in use. ENERGY: 3825200 3922.1021 20679.4163 14497.4720 244.3198 -203691.9032 2661.9637 0.0000 0.0000 51805.3079 -109881.3215 297.7258 -161686.6294 -109522.3916 298.7581 1.1598 35.1283 760937.5051 -7.3956 -7.3405 PRESSURE: 3825400 226.72 -22.8541 -49.5158 -22.8542 -38.0064 -168.768 -49.5163 -168.768 626.06 GPRESSURE: 3825400 195.426 85.8753 -45.4484 -112.752 137.648 -110.604 -191.463 -9.8591 571.071 PRESSAVG: 3825400 -0.670827 -65.0236 27.3522 -65.0236 25.191 -16.4769 27.3522 -16.4768 -13.9966 GPRESSAVG: 3825400 -0.862464 -63.0951 27.8736 -65.9 26.1722 -15.7086 27.9801 -15.4849 -14.9951 TIMING: 3825400 CPU: 12095, 0.00323065/step Wall: 12095, 0.00323065/step, 1.05409 hours remaining, 239.765625 MB of memory in use. ENERGY: 3825400 3971.5536 20521.0323 14470.6287 250.9218 -203976.1353 2938.6954 0.0000 0.0000 51900.4554 -109922.8482 298.2726 -161823.3035 -109563.2003 298.2632 271.5914 301.3816 759813.8508 3.5079 3.4382 PRESSURE: 3825600 144.309 70.8294 -322.878 70.8292 -12.5724 113.635 -322.877 113.634 -132.808 GPRESSURE: 3825600 178.959 -5.38735 -306.825 96.4812 -1.8888 69.869 -236.402 21.2279 -106.816 PRESSAVG: 3825600 -14.5807 -39.5395 38.5165 -39.5395 6.28071 -68.0412 38.5165 -68.0413 -13.2586 GPRESSAVG: 3825600 -16.6288 -41.8231 38.6589 -38.6938 7.05512 -68.5182 36.0885 -68.6485 -12.0166 TIMING: 3825600 CPU: 12095.7, 0.00324468/step Wall: 12095.7, 0.00324468/step, 1.05849 hours remaining, 239.765625 MB of memory in use. ENERGY: 3825600 3980.9540 20554.8943 14325.7360 241.5589 -203579.9251 2758.1931 0.0000 0.0000 51773.6083 -109944.9806 297.5436 -161718.5889 -109581.7454 298.4035 -0.3571 23.4180 761843.1925 -7.1862 -7.1968 PRESSURE: 3825800 179.44 76.8575 51.7366 76.8575 -40.8802 184.532 51.7359 184.531 -172.528 GPRESSURE: 3825800 243.649 176.308 158.818 35.9249 -53.8563 216.124 -92.5695 77.8734 -136.776 PRESSAVG: 3825800 -34.7139 -8.79201 21.1588 -8.792 9.68539 -28.6524 21.1587 -28.6524 8.7083 GPRESSAVG: 3825800 -34.1472 -6.41321 21.7087 -8.6919 9.20918 -27.4491 21.492 -30.7257 7.87589 TIMING: 3825800 CPU: 12096.3, 0.00324055/step Wall: 12096.3, 0.00324055/step, 1.05696 hours remaining, 239.765625 MB of memory in use. ENERGY: 3825800 3948.3457 20432.1869 14398.5028 247.4449 -204183.7860 2968.6064 0.0000 0.0000 52188.8342 -109999.8652 299.9299 -162188.6994 -109628.5196 297.8147 -11.3227 17.6721 761140.1966 -5.4401 -5.6874 PRESSURE: 3826000 -62.043 96.3265 -8.75527 96.3262 -100.775 -147.661 -8.75504 -147.662 247.601 GPRESSURE: 3826000 -163.926 197.668 30.2028 18.162 107.325 -92.3593 -12.4214 -150.565 226.739 PRESSAVG: 3826000 42.3464 -18.5678 17.9706 -18.5679 7.32312 48.1304 17.9707 48.1304 18.2564 GPRESSAVG: 3826000 42.1377 -19.5939 16.2637 -19.6168 7.96975 45.849 21.0194 53.0997 17.7911 TIMING: 3826000 CPU: 12097, 0.00326031/step Wall: 12097, 0.00326031/step, 1.06322 hours remaining, 239.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3826000 3912.4308 20551.2138 14421.9048 259.0848 -203381.2781 2368.0594 0.0000 0.0000 52000.2783 -109868.3063 298.8463 -161868.5846 -109504.3002 298.5261 28.2611 56.7129 759759.5241 22.6420 22.6329 PRESSURE: 3826200 -94.0571 18.9593 119.138 18.9582 133.268 -166.928 119.138 -166.929 -25.8192 GPRESSURE: 3826200 52.534 -97.2818 111.599 91.9671 91.6717 -148.718 139.928 -250.439 -38.0033 PRESSAVG: 3826200 4.14218 8.72444 -5.42242 8.72434 -14.7834 -36.3947 -5.42246 -36.3946 -15.5984 GPRESSAVG: 3826200 5.36095 9.24522 -5.87571 10.2455 -16.6895 -34.3482 -7.63952 -39.0963 -14.8901 TIMING: 3826200 CPU: 12097.6, 0.00323737/step Wall: 12097.6, 0.00323737/step, 1.05556 hours remaining, 239.765625 MB of memory in use. ENERGY: 3826200 3997.0760 20566.0520 14455.3351 255.4225 -203698.4887 2677.4019 0.0000 0.0000 52187.4447 -109559.7565 299.9220 -161747.2012 -109197.5083 299.0098 4.4639 35.4008 760859.1952 -8.7465 -8.7396 PRESSURE: 3826400 83.6187 -73.4264 102.358 -73.4264 -175.066 -276.073 102.358 -276.071 -8.38601 GPRESSURE: 3826400 148.151 15.5989 82.8448 -175.509 -139.433 -243.242 140.516 -186.105 -23.9209 PRESSAVG: 3826400 -14.5141 -1.07965 -10.6914 -1.0797 12.8689 -4.11024 -10.6914 -4.11024 20.4009 GPRESSAVG: 3826400 -15.4617 0.905686 -9.29036 -1.4117 14.9181 -4.79261 -11.8646 -4.63211 19.4214 TIMING: 3826400 CPU: 12098.3, 0.00323518/step Wall: 12098.3, 0.00323518/step, 1.05467 hours remaining, 239.765625 MB of memory in use. ENERGY: 3826400 3976.5087 20792.9186 14457.0203 241.5046 -203382.5273 2600.5492 0.0000 0.0000 51813.7088 -109500.3170 297.7741 -161314.0258 -109144.1513 299.2901 -33.2777 -5.0678 761183.8651 6.2519 6.2926 PRESSURE: 3826600 -332.12 44.4062 128.33 44.4063 163.805 80.1669 128.33 80.1673 -157.675 GPRESSURE: 3826600 -292.421 29.7793 150.783 77.0374 145.274 51.602 231.081 -0.609422 -105.515 PRESSAVG: 3826600 -16.1417 -58.0683 42.9594 -58.0683 -17.5932 -55.8379 42.9595 -55.8379 -7.0789 GPRESSAVG: 3826600 -15.4679 -62.1426 42.1765 -57.5416 -19.5098 -55.1952 46.4031 -54.9667 -5.99712 TIMING: 3826600 CPU: 12098.9, 0.00329154/step Wall: 12098.9, 0.00329154/step, 1.07286 hours remaining, 239.765625 MB of memory in use. ENERGY: 3826600 4065.2205 20618.9118 14479.8170 238.1846 -203503.1143 2592.8762 0.0000 0.0000 51960.9702 -109547.1340 298.6204 -161508.1042 -109187.5067 299.4976 -108.6634 -84.2205 761326.0918 -13.6046 -13.6583 PRESSURE: 3826800 -33.5585 -170.647 155.064 -170.646 98.0552 -244.182 155.064 -244.181 451.445 GPRESSURE: 3826800 62.5689 -270.489 120.486 -83.6165 98.6734 -292.286 143.874 -194.111 449.78 PRESSAVG: 3826800 36.4341 -44.27 0.448543 -44.2701 21.2223 -3.08122 0.448501 -3.08118 3.89108 GPRESSAVG: 3826800 35.4933 -44.3002 0.544934 -45.0566 21.6857 -5.27355 -0.296637 -2.91036 4.58907 TIMING: 3826800 CPU: 12099.6, 0.00325334/step Wall: 12099.6, 0.00325334/step, 1.06023 hours remaining, 239.765625 MB of memory in use. ENERGY: 3826800 3963.6692 20299.1931 14445.4966 278.7980 -204138.1464 3086.9566 0.0000 0.0000 52470.9786 -109593.0544 301.5514 -162064.0330 -109218.9908 299.2221 171.9804 203.6742 758708.7533 20.5158 20.5894 PRESSURE: 3827000 286.804 -137.868 -214.568 -137.868 156.301 -190.752 -214.568 -190.753 -10.0489 GPRESSURE: 3827000 327.381 -161.975 -162.588 -26.7534 178.948 -230.889 -193.687 -128.119 16.4999 PRESSAVG: 3827000 15.0483 -76.2929 -0.389997 -76.2928 -33.9101 -56.6271 -0.389985 -56.627 -8.57444 GPRESSAVG: 3827000 15.0109 -74.9864 0.151383 -73.1561 -31.9327 -55.9518 -3.31364 -55.984 -10.327 TIMING: 3827000 CPU: 12100.2, 0.00320269/step Wall: 12100.2, 0.00320269/step, 1.04354 hours remaining, 239.765625 MB of memory in use. ENERGY: 3827000 3974.0146 20486.4186 14463.9108 287.5389 -203637.4643 2667.6224 0.0000 0.0000 52029.7875 -109728.1715 299.0159 -161757.9590 -109368.8861 298.9063 144.3522 174.2766 760327.3600 -9.1454 -9.0829 PRESSURE: 3827200 -59.2226 85.8083 -66.3303 85.8079 274.685 -92.6602 -66.3307 -92.6594 -120.097 GPRESSURE: 3827200 17.2432 66.5247 -81.2936 93.6943 253.049 -161.785 79.0344 -197.195 -94.3248 PRESSAVG: 3827200 32.5065 -79.0619 -4.55065 -79.0619 -26.3232 4.26088 -4.55068 4.26084 -4.95882 GPRESSAVG: 3827200 33.2791 -78.8593 -5.45786 -82.0118 -26.7852 4.94029 -2.96099 3.47672 -4.80897 TIMING: 3827200 CPU: 12100.9, 0.00321702/step Wall: 12100.9, 0.00321702/step, 1.04803 hours remaining, 239.765625 MB of memory in use. ENERGY: 3827200 4050.5842 20514.1265 14455.8557 237.8961 -203837.8247 2687.7096 0.0000 0.0000 52045.8973 -109845.7553 299.1085 -161891.6526 -109485.7874 298.5948 31.7887 58.6558 760273.7595 0.4081 0.5616 PRESSURE: 3827400 -69.2456 144.614 -10.9844 144.615 21.1769 -90.1213 -10.9845 -90.1207 -85.0654 GPRESSURE: 3827400 -32.4189 167.692 -91.7541 147.366 0.843899 -96.9949 -5.78604 -79.0945 -12.279 PRESSAVG: 3827400 -13.9338 21.7873 -6.77068 21.7874 22.0066 -27.119 -6.77072 -27.1189 6.48898 GPRESSAVG: 3827400 -12.7927 23.4712 -4.75848 21.311 20.4006 -26.4126 -5.71297 -27.5936 6.86391 TIMING: 3827400 CPU: 12101.5, 0.00321655/step Wall: 12101.5, 0.00321655/step, 1.0477 hours remaining, 239.765625 MB of memory in use. ENERGY: 3827400 4020.7942 20559.9468 14485.7736 254.5199 -203914.5537 2670.5241 0.0000 0.0000 51942.5048 -109980.4904 298.5143 -161922.9951 -109613.3641 298.4994 -44.3780 -14.6180 760805.0411 4.8539 4.8239 PRESSURE: 3827600 58.1426 -165.03 -238.526 -165.031 122.072 63.3043 -238.526 63.3044 -103.714 GPRESSURE: 3827600 123.591 -253.969 -264.661 -160.509 80.5541 4.92714 -175.799 32.3013 -51.892 PRESSAVG: 3827600 -34.1735 -24.1167 -10.1587 -24.1167 53.6933 -20.0328 -10.1587 -20.0328 -11.936 GPRESSAVG: 3827600 -34.5201 -25.0613 -11.4377 -23.2345 53.1576 -20.684 -10.3966 -18.105 -10.7054 TIMING: 3827600 CPU: 12102.1, 0.00321268/step Wall: 12102.1, 0.00321268/step, 1.04626 hours remaining, 239.765625 MB of memory in use. ENERGY: 3827600 4022.9553 20579.0088 14486.3685 240.8341 -203756.6898 2521.7478 0.0000 0.0000 52017.3897 -109888.3856 298.9447 -161905.7753 -109528.4911 297.5114 25.5003 50.7510 761406.2956 2.5279 2.6440 PRESSURE: 3827800 -297.301 95.7729 117.911 95.7725 -303.94 -69.6651 117.912 -69.6647 -190.271 GPRESSURE: 3827800 -200.225 68.9349 187.946 138.241 -346.879 -77.8073 95.8236 -58.7892 -160.675 PRESSAVG: 3827800 -25.0211 -77.5771 30.5574 -77.577 11.6262 -40.8275 30.5575 -40.8274 12.5752 GPRESSAVG: 3827800 -24.292 -79.4772 29.9668 -77.0971 11.9656 -41.0388 29.4437 -42.213 11.3687 TIMING: 3827800 CPU: 12102.8, 0.00315521/step Wall: 12102.8, 0.00315521/step, 1.02737 hours remaining, 239.765625 MB of memory in use. ENERGY: 3827800 4002.0584 20515.7692 14434.0530 263.9920 -203470.9813 2551.3347 0.0000 0.0000 51898.8997 -109804.8743 298.2637 -161703.7739 -109449.7420 297.8652 -263.8372 -235.9264 762371.1603 -0.2732 -0.3192 PRESSURE: 3828000 -110.299 -46.4291 177.122 -46.429 -105.906 -13.6866 177.121 -13.6872 -352.466 GPRESSURE: 3828000 -54.6196 -83.5383 187.453 -88.0781 -71.9831 8.32136 102.274 109.911 -356.874 PRESSAVG: 3828000 46.2255 33.115 35.5415 33.115 -45.6339 1.08016 35.5414 1.08006 -10.6763 GPRESSAVG: 3828000 45.1015 35.1353 36.3607 32.4981 -44.9543 2.17168 35.3521 0.396026 -10.4086 TIMING: 3828000 CPU: 12103.4, 0.0031618/step Wall: 12103.4, 0.0031618/step, 1.02934 hours remaining, 239.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3828000 4013.9164 20656.7834 14502.6069 268.7906 -203236.6412 2391.7800 0.0000 0.0000 51746.5696 -109656.1943 297.3882 -161402.7638 -109314.8919 298.7550 -189.5572 -161.1590 761616.3240 -3.3615 -3.4205 PRESSURE: 3828200 -145.544 -60.6608 -112.36 -60.6611 -60.8602 50.6433 -112.359 50.6431 -96.2059 GPRESSURE: 3828200 -112.943 -48.2339 -57.5824 -61.903 48.8458 33.4747 -200.481 22.6093 -147.081 PRESSAVG: 3828200 -8.0552 -9.95717 20.3844 -9.95719 30.0285 -12.6499 20.3845 -12.6499 -2.3218 GPRESSAVG: 3828200 -8.34438 -10.627 20.5354 -10.6645 31.3326 -13.1649 20.3665 -12.1579 -2.6996 TIMING: 3828200 CPU: 12104, 0.003177/step Wall: 12104, 0.003177/step, 1.03411 hours remaining, 239.765625 MB of memory in use. ENERGY: 3828200 4021.7215 20517.5048 14444.7612 239.4533 -203099.6111 2296.7313 0.0000 0.0000 51868.9400 -109710.4991 298.0915 -161579.4390 -109350.5817 297.8814 -100.8699 -70.3926 762577.9614 6.5505 6.7629 LDB: ============= START OF LOAD BALANCING ============== 12116.4 LDB: ============== END OF LOAD BALANCING =============== 12116.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12116.4 LDB: ============= START OF LOAD BALANCING ============== 12116.8 LDB: Largest compute 7031 load 0.035145 is 17.9% of average load 0.195935 LDB: Average compute 0.004422 is 2.3% of average load 0.195935 LDB: TIME 12116.8 LOAD: AVG 0.195935 MAX 0.226895 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 12116.8 LOAD: AVG 0.195935 MAX 0.226895 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 12116.8 LOAD: AVG 0.195935 MAX 0.218589 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 12116.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12116.8 PRESSURE: 3828400 -163.414 -218.509 11.3292 -218.51 -219.324 -0.0996192 11.3287 -0.100192 202.31 GPRESSURE: 3828400 -144.686 -114.289 35.2142 -110.268 -140.064 -68.5868 61.6748 -160.056 181.943 PRESSAVG: 3828400 -18.5406 -35.3557 -3.63612 -35.3557 -34.5553 7.95038 -3.63611 7.9504 -8.87064 GPRESSAVG: 3828400 -18.02 -33.9204 -4.62087 -34.4373 -34.2942 7.95307 -2.01534 7.79358 -9.35701 TIMING: 3828400 CPU: 12104.7, 0.00325336/step Wall: 12104.7, 0.00325336/step, 1.05879 hours remaining, 238.671875 MB of memory in use. ENERGY: 3828400 4003.9676 20489.5659 14455.1141 254.8426 -203491.6094 2691.5561 0.0000 0.0000 52005.9488 -109590.6143 298.8789 -161596.5631 -109228.6608 298.3686 -60.1425 -34.2689 760858.7464 -20.6555 -20.5570 PRESSURE: 3828600 186.908 -152.166 63.2373 -152.166 -22.1295 145.446 63.2372 145.447 215.326 GPRESSURE: 3828600 169.077 -187.821 88.9943 -114.355 38.6091 131.719 136.444 51.2413 288.101 PRESSAVG: 3828600 3.80458 -58.6902 15.9948 -58.6901 34.8165 -30.2764 15.9947 -30.2764 13.791 GPRESSAVG: 3828600 3.25279 -58.341 16.6003 -59.9921 33.8323 -32.0263 15.1756 -29.2541 15.1783 TIMING: 3828600 CPU: 12105.3, 0.00321614/step Wall: 12105.3, 0.00321614/step, 1.0465 hours remaining, 238.875000 MB of memory in use. ENERGY: 3828600 4003.2409 20526.4048 14424.2455 255.2169 -203202.4090 2363.0179 0.0000 0.0000 51965.5429 -109664.7400 298.6467 -161630.2829 -109290.3438 299.0036 126.7017 165.2623 759633.4791 17.4707 17.4211 PRESSURE: 3828800 80.7698 -172.886 17.6189 -172.887 27.3064 -42.5699 17.6192 -42.57 50.0115 GPRESSURE: 3828800 163.718 -329.125 24.2013 -94.4589 -7.4087 -23.3881 44.7483 -31.8298 80.0563 PRESSAVG: 3828800 -13.6063 -13.0319 23.7284 -13.032 21.9072 -15.795 23.7284 -15.795 10.0339 GPRESSAVG: 3828800 -13.078 -14.9659 21.7662 -13.1887 20.907 -14.503 25.6689 -12.2689 10.6813 TIMING: 3828800 CPU: 12106, 0.00317491/step Wall: 12106, 0.00317491/step, 1.0329 hours remaining, 238.875000 MB of memory in use. ENERGY: 3828800 3973.0050 20435.3638 14355.4412 239.1836 -203747.4396 2845.5333 0.0000 0.0000 52108.3048 -109790.6078 299.4671 -161898.9127 -109424.6028 298.8134 52.6959 78.7887 762250.3334 6.1116 6.1701 PRESSURE: 3829000 -92.061 -0.570377 -134.732 -0.571026 -149.512 56.0063 -134.732 56.007 -126.429 GPRESSURE: 3829000 -72.843 -24.5072 -138.971 132.212 -164.242 49.0129 -89.5242 -69.3423 -56.9626 PRESSAVG: 3829000 -18.1411 -46.6189 -54.623 -46.6189 44.256 -1.5818 -54.623 -1.5818 13.4182 GPRESSAVG: 3829000 -16.9303 -47.2349 -52.8625 -43.6562 43.5567 -4.00064 -54.0623 -3.75778 12.5021 TIMING: 3829000 CPU: 12106.6, 0.00315224/step Wall: 12106.6, 0.00315224/step, 1.02535 hours remaining, 238.875000 MB of memory in use. ENERGY: 3829000 4001.7393 20640.7087 14435.7253 259.8614 -203738.4714 2785.5662 0.0000 0.0000 51649.0391 -109965.8315 296.8277 -161614.8705 -109605.9649 298.2218 -122.6673 -98.0157 760288.9017 13.1777 13.0428 PRESSURE: 3829200 -396.2 -139.331 -64.2074 -139.332 -177.141 130.95 -64.2077 130.952 -333.052 GPRESSURE: 3829200 -375.228 -137.236 -85.7806 -117.314 -203.348 188.545 -13.5527 90.8257 -247.591 PRESSAVG: 3829200 1.20274 -56.172 -34.1209 -56.172 2.70301 14.9904 -34.1209 14.9904 -27.4776 GPRESSAVG: 3829200 -0.20525 -56.3781 -32.1454 -56.8492 5.19355 17.0822 -37.3155 15.6095 -28.3234 TIMING: 3829200 CPU: 12107.2, 0.00315658/step Wall: 12107.2, 0.00315658/step, 1.02659 hours remaining, 238.875000 MB of memory in use. ENERGY: 3829200 3923.0829 20315.4546 14377.9246 264.2449 -203066.6730 2279.6776 0.0000 0.0000 51983.6636 -109922.6248 298.7508 -161906.2884 -109551.7257 297.4518 -302.1307 -275.3890 763106.4904 -7.8573 -7.7784 PRESSURE: 3829400 -98.1553 -76.1109 -298.358 -76.1104 307.605 -92.3962 -298.358 -92.3947 75.1823 GPRESSURE: 3829400 20.3652 -128.878 -191.552 -37.7397 293.212 -129.584 -180.794 -224.583 28.6213 PRESSAVG: 3829400 -25.1165 -30.8202 -35.0826 -30.8202 20.181 23.7733 -35.0826 23.7734 17.2947 GPRESSAVG: 3829400 -25.289 -28.7304 -37.4909 -31.6125 19.2792 22.1166 -33.0005 24.0811 18.5705 TIMING: 3829400 CPU: 12107.9, 0.00319012/step Wall: 12107.9, 0.00319012/step, 1.03732 hours remaining, 238.875000 MB of memory in use. ENERGY: 3829400 3987.7847 20361.8815 14366.5979 261.7122 -203527.0436 2746.5104 0.0000 0.0000 52005.2156 -109797.3413 298.8747 -161802.5570 -109442.4054 297.9408 94.8773 114.0662 762122.5942 4.1197 4.1869 PRESSURE: 3829600 -399.854 102.094 -186.448 102.094 -10.8573 166.15 -186.447 166.149 -382.245 GPRESSURE: 3829600 -373.34 51.7823 -143.28 116.461 -45.2493 186.745 -199.465 140.107 -304.426 PRESSAVG: 3829600 -10.3041 -19.5864 -56.7839 -19.5864 -3.7647 15.2235 -56.7839 15.2236 -8.77868 GPRESSAVG: 3829600 -8.62106 -19.073 -55.5067 -21.3348 -4.83159 17.292 -58.1276 13.9256 -9.32009 TIMING: 3829600 CPU: 12108.5, 0.00316007/step Wall: 12108.5, 0.00316007/step, 1.02737 hours remaining, 238.875000 MB of memory in use. ENERGY: 3829600 3945.2497 20560.1536 14415.5525 234.3879 -203267.6094 2511.2014 0.0000 0.0000 52180.3447 -109420.7196 299.8812 -161601.0643 -109069.0818 298.8576 -264.3191 -241.0051 763325.5386 -7.6158 -7.5909 PRESSURE: 3829800 -92.2485 -219.861 -416.644 -219.862 39.7752 110.321 -416.645 110.321 343.697 GPRESSURE: 3829800 -37.9603 -177.564 -362.389 -237.801 103.401 156.837 -317.431 137.032 316.091 PRESSAVG: 3829800 -7.94076 -9.97732 9.68637 -9.97741 -1.68836 6.81894 9.68635 6.819 1.10661 GPRESSAVG: 3829800 -9.10847 -11.0449 8.57624 -8.40233 -0.568094 7.62799 10.8269 4.33969 1.41828 TIMING: 3829800 CPU: 12109.1, 0.00316626/step Wall: 12109.1, 0.00316626/step, 1.02921 hours remaining, 238.875000 MB of memory in use. ENERGY: 3829800 3990.9585 20516.1053 14397.7575 232.8313 -203520.6279 2818.0490 0.0000 0.0000 52076.7632 -109488.1632 299.2859 -161564.9263 -109132.8551 298.9109 97.0746 127.1772 761983.9293 -2.8408 -2.7528 PRESSURE: 3830000 -123.628 153.166 -156.378 153.167 -679.908 -230.773 -156.378 -230.773 -403.121 GPRESSURE: 3830000 -134.666 3.02961 -158.777 99.7685 -505.191 -189.931 -54.9344 -107.779 -480.248 PRESSAVG: 3830000 8.20338 -28.4619 12.8548 -28.4619 -2.57428 -22.708 12.8548 -22.7081 0.10322 GPRESSAVG: 3830000 7.94631 -27.6726 12.7472 -29.6996 -2.55625 -25.0709 13.8618 -20.2395 0.297612 TIMING: 3830000 CPU: 12109.8, 0.00313951/step Wall: 12109.8, 0.00313951/step, 1.02034 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3830000 4011.8639 20340.7906 14391.4435 242.7894 -202867.4049 2257.1434 0.0000 0.0000 52073.3024 -109550.0716 299.2660 -161623.3740 -109185.4909 299.4079 -402.2191 -373.3684 763982.4884 1.9108 1.8959 PRESSURE: 3830200 321.861 -222.006 -3.09511 -222.006 87.3305 -59.7462 -3.09579 -59.7468 -21.2825 GPRESSURE: 3830200 366.177 -138.495 42.7483 -230.736 59.8692 -170.173 -63.9097 88.5079 36.2791 PRESSAVG: 3830200 72.0345 -38.4804 -10.9445 -38.4805 -55.292 -25.838 -10.9445 -25.8381 7.37167 GPRESSAVG: 3830200 71.9431 -39.3148 -9.08645 -36.514 -57.1079 -23.5366 -13.888 -25.8056 8.46638 TIMING: 3830200 CPU: 12110.4, 0.00313109/step Wall: 12110.4, 0.00313109/step, 1.01743 hours remaining, 238.875000 MB of memory in use. ENERGY: 3830200 3951.6638 20495.0104 14368.7989 223.6535 -203209.7715 2740.2509 0.0000 0.0000 51932.3607 -109498.0334 298.4560 -161430.3941 -109140.7729 298.6748 129.3031 154.1086 762344.3537 8.0380 7.7672 PRESSURE: 3830400 111.532 64.885 26.1513 64.8848 -189.328 -7.54992 26.1516 -7.54947 156.012 GPRESSURE: 3830400 129.647 6.37034 32.976 156.714 -129.87 -39.7135 127.07 -15.0366 164.726 PRESSAVG: 3830400 25.9556 -70.3364 -45.0382 -70.3364 -66.2932 -25.9716 -45.0382 -25.9716 -30.3927 GPRESSAVG: 3830400 25.0487 -70.8025 -44.7466 -70.7631 -64.6689 -28.5047 -44.8032 -25.966 -31.2101 TIMING: 3830400 CPU: 12111, 0.00313846/step Wall: 12111, 0.00313846/step, 1.01965 hours remaining, 238.875000 MB of memory in use. ENERGY: 3830400 4002.4470 20423.7074 14422.7640 290.1479 -203676.2074 2876.0957 0.0000 0.0000 52215.5285 -109445.5169 300.0834 -161661.0454 -109088.0996 299.2231 26.0720 54.8343 762959.3940 -23.5768 -23.6101 PRESSURE: 3830600 -48.8927 30.7221 217.016 30.7227 156.517 68.6364 217.016 68.6374 -182.762 GPRESSURE: 3830600 -23.2802 33.5708 212.025 105.236 114.698 74.7683 154.478 74.3964 -96.5962 PRESSAVG: 3830600 44.7135 -65.1355 40.4756 -65.1355 -95.5079 -25.8223 40.4756 -25.8223 22.5501 GPRESSAVG: 3830600 45.9782 -64.6262 38.9763 -65.6924 -97.3873 -23.7446 44.0735 -28.3704 22.8924 TIMING: 3830600 CPU: 12111.6, 0.00312861/step Wall: 12111.6, 0.00312861/step, 1.01628 hours remaining, 238.875000 MB of memory in use. ENERGY: 3830600 3984.5846 20617.1318 14471.5217 228.4416 -203269.3751 2483.4048 0.0000 0.0000 51894.8175 -109589.4731 298.2402 -161484.2906 -109235.3328 298.9349 -25.0457 -1.7262 762613.0676 -9.4147 -9.5055 PRESSURE: 3830800 -218.326 18.7959 15.7662 18.7961 -93.6306 64.5722 15.7659 64.573 -275.972 GPRESSURE: 3830800 -141.068 23.1808 24.9483 110.292 -65.1207 86.799 83.6905 91.5359 -303.206 PRESSAVG: 3830800 75.9144 -84.2195 40.2957 -84.2195 -22.0368 -8.59796 40.2957 -8.59789 -22.0056 GPRESSAVG: 3830800 75.3304 -82.5726 41.103 -86.1259 -21.2382 -9.55305 36.8453 -4.80613 -22.3419 TIMING: 3830800 CPU: 12112.3, 0.00313273/step Wall: 12112.3, 0.00313273/step, 1.01744 hours remaining, 238.875000 MB of memory in use. ENERGY: 3830800 3981.3006 20382.0308 14459.3122 255.0627 -203432.4576 2634.0242 0.0000 0.0000 51953.0530 -109767.6741 298.5749 -161720.7271 -109408.9596 298.8976 -195.9762 -169.7982 762071.4945 10.6240 10.5834 PRESSURE: 3831000 36.0948 -22.3735 -125.968 -22.3735 -85.3077 46.8087 -125.969 46.8087 76.2781 GPRESSURE: 3831000 45.9143 -21.4681 -136.744 -70.0148 -48.1894 29.9841 40.5299 81.4653 101.159 PRESSAVG: 3831000 17.6456 -16.7008 21.2033 -16.7008 9.59415 -0.243359 21.2033 -0.243295 -6.71069 GPRESSAVG: 3831000 17.5422 -17.4445 20.27 -16.4381 10.4326 -0.215419 23.993 -2.11938 -7.0361 TIMING: 3831000 CPU: 12112.9, 0.00313366/step Wall: 12112.9, 0.00313366/step, 1.01757 hours remaining, 238.875000 MB of memory in use. ENERGY: 3831000 4011.2522 20557.9461 14376.1219 261.3138 -203274.5732 2572.5733 0.0000 0.0000 51926.6856 -109568.6803 298.4234 -161495.3659 -109208.1392 298.6811 9.0217 32.9611 762778.0099 6.8430 6.9796 PRESSURE: 3831200 245.317 47.3056 184.69 47.3067 -150.316 65.3325 184.69 65.333 236.872 GPRESSURE: 3831200 192.325 70.9383 172.238 -13.0017 -50.9227 126.565 254.677 48.3291 263.627 PRESSAVG: 3831200 -17.2736 -64.8801 -27.6522 -64.8801 7.34582 -14.6658 -27.6522 -14.6658 -24.0545 GPRESSAVG: 3831200 -17.0923 -67.091 -26.1911 -63.9242 6.69653 -16.1802 -29.5033 -12.8609 -23.9784 TIMING: 3831200 CPU: 12113.5, 0.00316451/step Wall: 12113.5, 0.00316451/step, 1.02741 hours remaining, 238.875000 MB of memory in use. ENERGY: 3831200 3928.0998 20428.3051 14515.6582 248.1206 -203802.7448 3014.6989 0.0000 0.0000 51876.7123 -109791.1498 298.1362 -161667.8622 -109424.4340 298.8343 110.6243 135.0099 762310.2591 -11.3274 -11.4580 PRESSURE: 3831400 113.208 103.741 36.2519 103.741 -353.956 -234.029 36.2528 -234.029 -137.865 GPRESSURE: 3831400 101.646 78.5146 -12.5424 2.03038 -282.949 -251.092 174.609 -93.5292 -100.448 PRESSAVG: 3831400 44.0667 -51.6318 17.5022 -51.6318 -55.9469 -40.3286 17.5023 -40.3286 18.6956 GPRESSAVG: 3831400 43.6382 -51.1786 15.4656 -52.0702 -54.9357 -38.7995 18.3008 -42.1629 18.9512 TIMING: 3831400 CPU: 12114.2, 0.00315484/step Wall: 12114.2, 0.00315484/step, 1.02409 hours remaining, 238.875000 MB of memory in use. ENERGY: 3831400 4028.1190 20579.1406 14444.1638 251.0154 -203609.9683 2853.4501 0.0000 0.0000 51667.1439 -109786.9356 296.9318 -161454.0795 -109424.6401 298.5048 -126.2045 -93.9172 762865.6630 2.2718 2.5513 PRESSURE: 3831600 46.4279 -33.4387 195.414 -33.4382 55.8969 -35.1168 195.414 -35.1181 0.732506 GPRESSURE: 3831600 57.3025 24.0826 51.6815 -64.2349 85.4052 -36.5888 227.021 26.4536 42.6984 PRESSAVG: 3831600 27.3628 -52.0306 10.0679 -52.0306 -55.1386 -106.183 10.0679 -106.183 -0.147325 GPRESSAVG: 3831600 27.7702 -51.502 10.5979 -51.947 -55.3637 -106.042 9.14941 -105.147 0.354823 TIMING: 3831600 CPU: 12114.8, 0.00315279/step Wall: 12114.8, 0.00315279/step, 1.02326 hours remaining, 238.875000 MB of memory in use. ENERGY: 3831600 3946.6473 20605.8907 14399.1996 237.8996 -204015.7857 2978.0184 0.0000 0.0000 52172.6338 -109675.4963 299.8368 -161848.1301 -109310.8620 298.6092 34.3524 61.8020 763109.7350 -9.3077 -9.0796 PRESSURE: 3831800 -62.0686 -259.302 -101.839 -259.302 117.094 -94.2761 -101.839 -94.2759 -19.2251 GPRESSURE: 3831800 -29.14 -89.9876 -78.2836 -218.314 173.355 -88.8128 -93.1894 -209.219 -9.19812 PRESSAVG: 3831800 -16.4102 -48.4649 -12.4482 -48.465 -25.8752 -27.4715 -12.4481 -27.4714 19.2833 GPRESSAVG: 3831800 -16.4804 -47.4877 -14.3156 -49.2651 -26.2773 -26.4441 -11.5462 -29.4687 19.5846 TIMING: 3831800 CPU: 12115.4, 0.00314921/step Wall: 12115.4, 0.00314921/step, 1.02192 hours remaining, 238.875000 MB of memory in use. ENERGY: 3831800 3961.2601 20263.4543 14460.7842 259.8672 -203762.8057 2778.8706 0.0000 0.0000 52271.3286 -109767.2407 300.4040 -162038.5693 -109396.1643 298.8995 11.9335 45.0056 761673.2882 -7.6674 -7.7243 PRESSURE: 3832000 178.354 -118.983 -140.985 -118.982 -75.0188 -26.1003 -140.985 -26.0996 -72.703 GPRESSURE: 3832000 145.845 -195.889 -145.473 -40.0209 -47.4079 -18.5797 -151.058 -53.293 28.2942 PRESSAVG: 3832000 -26.3812 -12.34 -47.099 -12.3401 24.7631 -60.059 -47.0989 -60.059 4.34051 GPRESSAVG: 3832000 -26.2188 -13.2641 -44.0377 -10.5579 25.1463 -62.1858 -46.5851 -61.1754 4.62866 TIMING: 3832000 CPU: 12116, 0.00315442/step Wall: 12116, 0.00315442/step, 1.02344 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3832000 3944.7202 20235.7684 14467.2586 255.8496 -203494.0506 2820.9155 0.0000 0.0000 52184.2932 -109585.2452 299.9039 -161769.5384 -109224.8398 298.5832 10.2106 42.2438 761431.0735 0.9075 1.1854 PRESSURE: 3832200 9.23781 0.835009 -150.005 0.834636 -142.894 65.3583 -150.005 65.3592 -163.6 GPRESSURE: 3832200 18.2148 59.3577 -24.0385 -74.6975 -10.2731 9.21652 -362.363 47.1229 -218.573 PRESSAVG: 3832200 29.4165 -65.2461 -3.13953 -65.2461 -13.9392 -6.6777 -3.13962 -6.67756 8.85488 GPRESSAVG: 3832200 29.9363 -64.6873 -2.48519 -64.7036 -13.2768 -8.27444 -5.20897 -3.11536 8.12794 TIMING: 3832200 CPU: 12116.7, 0.00315793/step Wall: 12116.7, 0.00315793/step, 1.0244 hours remaining, 238.875000 MB of memory in use. ENERGY: 3832200 3958.5171 20550.2009 14422.1436 247.3825 -203421.0354 2752.7398 0.0000 0.0000 52137.5862 -109352.4652 299.6354 -161490.0514 -108993.9540 299.0211 -99.0855 -70.2103 762154.2759 8.1107 8.2625 LDB: ============= START OF LOAD BALANCING ============== 12129.1 LDB: ============== END OF LOAD BALANCING =============== 12129.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12129.1 LDB: ============= START OF LOAD BALANCING ============== 12129.4 LDB: Largest compute 7068 load 0.034611 is 17.7% of average load 0.195987 LDB: Average compute 0.004390 is 2.2% of average load 0.195987 LDB: TIME 12129.4 LOAD: AVG 0.195987 MAX 0.218288 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 12129.4 LOAD: AVG 0.195987 MAX 0.218288 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 12129.4 LOAD: AVG 0.195987 MAX 0.218288 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 12129.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12129.4 PRESSURE: 3832400 561.252 -221.091 49.5362 -221.091 32.1273 112.369 49.5365 112.369 -92.2963 GPRESSURE: 3832400 537.627 -194.697 11.2932 -252.593 208.76 99.2855 2.66228 -30.7224 -147.303 PRESSAVG: 3832400 -13.4758 -88.3899 -38.3896 -88.3899 5.32786 -11.1513 -38.3896 -11.1513 -26.597 GPRESSAVG: 3832400 -13.2095 -89.4256 -39.3275 -88.8516 4.30753 -10.6823 -39.8956 -12.6254 -25.9237 TIMING: 3832400 CPU: 12117.3, 0.00321731/step Wall: 12117.3, 0.00321732/step, 1.04348 hours remaining, 237.843750 MB of memory in use. ENERGY: 3832400 3991.4390 20550.5145 14448.5722 228.9076 -203592.3040 2751.0772 0.0000 0.0000 52239.1048 -109382.6888 300.2189 -161621.7935 -109014.6883 299.5275 167.0277 199.6945 760810.7003 -11.5817 -11.6086 PRESSURE: 3832600 -75.381 -129.801 -82.3301 -129.801 228.245 147.278 -82.3312 147.279 39.7446 GPRESSURE: 3832600 -0.324468 -61.6541 -78.7147 -134.778 250.986 149.582 -134.662 189.901 24.9027 PRESSAVG: 3832600 -19.0357 -91.6482 8.24729 -91.6482 41.3169 -12.4163 8.2473 -12.4164 -28.5789 GPRESSAVG: 3832600 -18.7696 -91.2674 8.93258 -91.8738 41.4845 -9.7394 10.9566 -12.6862 -28.7826 TIMING: 3832600 CPU: 12118, 0.00316907/step Wall: 12118, 0.00316907/step, 1.02766 hours remaining, 237.843750 MB of memory in use. ENERGY: 3832600 3976.1894 20532.3005 14472.1724 248.2220 -203563.0075 2663.1386 0.0000 0.0000 52204.3885 -109466.5962 300.0193 -161670.9847 -109111.0728 299.5028 64.2029 91.8548 760869.6079 -2.0992 -2.0225 PRESSURE: 3832800 67.4548 -58.3698 -29.9246 -58.3703 64.3059 -115.566 -29.9246 -115.565 186.291 GPRESSURE: 3832800 103.041 -29.6685 -50.5871 -158.455 123.274 -61.5019 -50.6251 21.8853 164.864 PRESSAVG: 3832800 -4.86183 -68.3614 3.61761 -68.3614 -19.5242 24.8413 3.61767 24.8412 0.726469 GPRESSAVG: 3832800 -5.98286 -69.1977 3.27246 -67.7572 -18.9278 21.8371 2.37717 27.168 0.982272 TIMING: 3832800 CPU: 12118.6, 0.00318581/step Wall: 12118.6, 0.00318581/step, 1.03291 hours remaining, 237.843750 MB of memory in use. ENERGY: 3832800 3924.1068 20852.3089 14397.2543 236.8822 -203778.3370 2558.4825 0.0000 0.0000 52367.2380 -109442.0643 300.9552 -161809.3023 -109079.1993 299.5622 106.0172 130.3932 761472.5820 -7.8865 -7.9761 PRESSURE: 3833000 204.961 11.4451 63.7959 11.4451 25.3524 22.155 63.7957 22.1554 62.9018 GPRESSURE: 3833000 271.559 2.71084 39.1066 65.1336 64.8333 -18.0787 88.7182 -0.948456 35.2419 PRESSAVG: 3833000 -5.88738 -68.5443 13.2736 -68.5443 -6.16422 5.29608 13.2735 5.29616 -0.0621442 GPRESSAVG: 3833000 -4.62246 -67.8946 12.9779 -70.2557 -7.15485 6.15723 13.3916 3.61081 -0.52953 TIMING: 3833000 CPU: 12119.2, 0.00318063/step Wall: 12119.2, 0.00318063/step, 1.03105 hours remaining, 237.843750 MB of memory in use. ENERGY: 3833000 4001.7422 20558.3967 14494.6232 251.6297 -203422.5317 2911.2381 0.0000 0.0000 52040.2877 -109164.6141 299.0762 -161204.9018 -108815.7959 299.7681 97.7385 123.8781 759733.1734 -4.0379 -4.1023 PRESSURE: 3833200 -227.977 44.3592 58.3783 44.3592 -445.667 -161.349 58.3779 -161.349 22.5859 GPRESSURE: 3833200 -241.444 -25.1327 -1.11155 12.2529 -288.79 -93.1684 -61.9755 -128.03 -24.4024 PRESSAVG: 3833200 -2.40354 -38.6777 40.0666 -38.6776 -26.1374 -28.2432 40.0666 -28.2432 11.9268 GPRESSAVG: 3833200 -3.13192 -39.0996 39.8514 -38.0057 -24.8245 -28.2686 40.1763 -30.0437 11.7274 TIMING: 3833200 CPU: 12119.9, 0.00314485/step Wall: 12119.9, 0.00314485/step, 1.01928 hours remaining, 237.843750 MB of memory in use. ENERGY: 3833200 4072.1003 20512.2789 14434.5309 225.7426 -203220.9260 2485.5050 0.0000 0.0000 52312.9949 -109177.7734 300.6435 -161490.7683 -108814.5234 300.0629 -217.0193 -184.8790 764600.9540 -5.5380 -5.4097 PRESSURE: 3833400 189.985 -208.804 153.755 -208.803 -454.803 237.634 153.756 237.635 -270.852 GPRESSURE: 3833400 136.584 -51.0971 63.4735 -221.029 -393.833 206.343 89.2445 228.009 -207.144 PRESSAVG: 3833400 90.2666 -56.6771 -3.85275 -56.6771 -46.4105 -27.4332 -3.85273 -27.4332 13.6659 GPRESSAVG: 3833400 89.9694 -55.5563 -4.27044 -59.1326 -47.6921 -28.5691 -5.82768 -26.3628 14.4715 TIMING: 3833400 CPU: 12120.5, 0.00314273/step Wall: 12120.5, 0.00314273/step, 1.01842 hours remaining, 237.843750 MB of memory in use. ENERGY: 3833400 4080.7173 20344.8291 14380.6207 257.8412 -202898.0252 2467.5944 0.0000 0.0000 52175.1237 -109191.2988 299.8512 -161366.4225 -108821.8849 299.9216 -178.5567 -154.7975 763679.9432 19.1740 18.9163 PRESSURE: 3833600 -183.135 -167.875 97.1247 -167.876 -161.864 -177.171 97.1253 -177.171 -64.0415 GPRESSURE: 3833600 -120.332 -45.9552 64.2592 -169.339 -69.6471 -253.741 55.3212 -241.442 -132.155 PRESSAVG: 3833600 64.3797 -69.053 1.70486 -69.0531 -54.3576 -25.5572 1.70486 -25.5573 2.68878 GPRESSAVG: 3833600 62.3066 -68.5883 0.895852 -67.2112 -53.104 -26.595 4.00028 -25.1362 3.25901 TIMING: 3833600 CPU: 12121.1, 0.00314217/step Wall: 12121.1, 0.00314217/step, 1.01806 hours remaining, 237.843750 MB of memory in use. ENERGY: 3833600 4083.6920 20575.7458 14395.9706 228.4245 -203227.3909 2714.3129 0.0000 0.0000 52047.2344 -109182.0107 299.1162 -161229.2451 -108830.7003 299.4734 -136.3472 -107.3780 762398.7427 4.2370 4.1539 PRESSURE: 3833800 -146.814 -80.4441 -56.6469 -80.4438 49.5175 26.6048 -56.6469 26.6045 -155.306 GPRESSURE: 3833800 -61.8496 -65.8808 -55.8432 -76.6403 16.337 53.1556 -39.4539 -6.83917 -133.379 PRESSAVG: 3833800 53.3595 -51.8255 13.9195 -51.8255 -68.5221 5.17595 13.9195 5.17588 16.937 GPRESSAVG: 3833800 57.0573 -53.9448 15.3839 -49.7701 -71.3731 8.3589 14.7979 4.99636 16.2064 TIMING: 3833800 CPU: 12121.7, 0.00315168/step Wall: 12121.7, 0.00315168/step, 1.02097 hours remaining, 237.843750 MB of memory in use. ENERGY: 3833800 3980.5371 20618.9773 14340.7393 246.2763 -203173.5902 2445.4717 0.0000 0.0000 52021.6493 -109519.9392 298.9691 -161541.5885 -109161.9733 299.1997 -84.2008 -59.6306 763451.9538 0.5915 0.6302 PRESSURE: 3834000 -12.5378 120.206 -45.5606 120.206 23.2472 -101.676 -45.5601 -101.675 287.932 GPRESSURE: 3834000 -24.4378 55.4256 -6.27274 153.656 79.4237 -165.455 52.3859 -19.2673 322.558 PRESSAVG: 3834000 37.3472 -68.2483 -18.0608 -68.2483 -42.9728 -15.8134 -18.0607 -15.8134 9.92124 GPRESSAVG: 3834000 35.9417 -66.4525 -20.7406 -69.7196 -42.3871 -17.4678 -17.8984 -17.6953 10.9198 TIMING: 3834000 CPU: 12122.4, 0.00316176/step Wall: 12122.4, 0.00316176/step, 1.02406 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3834000 4010.8849 20686.4962 14340.8195 272.8007 -203706.6211 3077.7122 0.0000 0.0000 52041.9276 -109275.9799 299.0857 -161317.9075 -108927.0458 299.0562 99.5470 125.8481 761121.8489 1.4319 1.4915 PRESSURE: 3834200 47.7966 -127.883 -101.111 -127.882 276.004 -95.8064 -101.111 -95.8066 15.8115 GPRESSURE: 3834200 155.553 39.0296 -117.113 -138.956 214.839 -149.697 -128.29 -3.81826 56.4762 PRESSAVG: 3834200 15.9059 -87.8548 -3.8099 -87.8548 -6.82293 -43.6211 -3.80983 -43.621 -16.516 GPRESSAVG: 3834200 16.6545 -88.5224 -2.41606 -87.9723 -6.51209 -43.6284 -5.04441 -41.8158 -17.1004 TIMING: 3834200 CPU: 12123, 0.0031659/step Wall: 12123, 0.0031659/step, 1.02522 hours remaining, 237.843750 MB of memory in use. ENERGY: 3834200 3910.5601 20702.9140 14415.8924 264.9138 -203174.3857 2535.9224 0.0000 0.0000 52175.1662 -109169.0167 299.8514 -161344.1829 -108810.9038 299.8053 113.2040 142.2892 761925.8232 -2.4777 -2.3193 PRESSURE: 3834400 385.027 -2.0234 127.359 -2.02418 80.2489 -4.35401 127.358 -4.35245 -102.813 GPRESSURE: 3834400 274.317 -11.6147 82.0537 73.1238 159.718 -66.611 60.8896 6.02759 21.1285 PRESSAVG: 3834400 -85.643 -46.8765 34.0389 -46.8766 57.1229 -37.4716 34.0389 -37.4715 5.21429 GPRESSAVG: 3834400 -87.2828 -47.7395 33.8886 -44.0683 57.6062 -37.578 34.5029 -36.4201 5.77476 TIMING: 3834400 CPU: 12123.6, 0.00316578/step Wall: 12123.6, 0.00316578/step, 1.02501 hours remaining, 237.843750 MB of memory in use. ENERGY: 3834400 4004.8802 20674.8867 14406.7003 272.1589 -203041.3701 2463.0620 0.0000 0.0000 52095.5927 -109124.0892 299.3941 -161219.6820 -108765.7727 299.9258 120.8210 151.7213 760310.8320 -7.7686 -7.9673 PRESSURE: 3834600 -28.4721 17.61 223.287 17.6099 -363.64 -238.433 223.287 -238.434 -130.26 GPRESSURE: 3834600 -13.4205 17.7952 239.542 69.1867 -337.474 -217.882 272.676 -197.551 -115.757 PRESSAVG: 3834600 -33.0416 -52.503 41.0936 -52.5031 26.703 -55.5988 41.0936 -55.5988 -3.92833 GPRESSAVG: 3834600 -32.3848 -51.8667 41.188 -54.0397 27.7567 -53.7999 40.2194 -56.5121 -5.41111 TIMING: 3834600 CPU: 12124.3, 0.00317826/step Wall: 12124.3, 0.00317826/step, 1.02887 hours remaining, 237.843750 MB of memory in use. ENERGY: 3834600 3993.9754 20621.6971 14415.7848 238.5963 -203453.4686 2600.6039 0.0000 0.0000 52218.0212 -109364.7899 300.0977 -161582.8111 -108986.8838 299.8697 -174.1242 -155.5504 761279.2785 -3.4223 -3.3464 PRESSURE: 3834800 -128.306 -113.8 265.273 -113.801 -36.2977 -9.22765 265.273 -9.22698 109.115 GPRESSURE: 3834800 9.91744 -100.23 259.874 -105.964 -89.3016 -14.3218 145.15 -19.1122 106.939 PRESSAVG: 3834800 27.1692 -23.454 14.5579 -23.4539 -29.4307 -90.9507 14.558 -90.9507 -1.00991 GPRESSAVG: 3834800 27.5036 -24.0836 12.8812 -23.1817 -30.4689 -91.5298 13.9668 -92.2114 -0.188367 TIMING: 3834800 CPU: 12124.9, 0.00313452/step Wall: 12124.9, 0.00313452/step, 1.01454 hours remaining, 237.843750 MB of memory in use. ENERGY: 3834800 3984.2258 20538.1102 14405.1351 266.4603 -203380.9543 2584.4115 0.0000 0.0000 52228.7836 -109373.8278 300.1595 -161602.6114 -109006.2186 299.4093 -18.4962 9.1849 762125.7419 -1.0905 -1.0512 PRESSURE: 3835000 -249.364 83.9019 160.197 83.901 121.444 -53.4072 160.196 -53.4072 -128.616 GPRESSURE: 3835000 -289.014 113.968 176.283 98.1662 191.549 -33.342 206.389 -102.63 -79.1794 PRESSAVG: 3835000 -26.9885 -0.292151 -24.1868 -0.292151 18.0983 5.97171 -24.1868 5.97175 2.91638 GPRESSAVG: 3835000 -27.2 0.0398673 -23.4783 -0.346518 19.0996 4.42547 -20.9322 5.34874 2.32095 TIMING: 3835000 CPU: 12125.5, 0.00314668/step Wall: 12125.5, 0.00314668/step, 1.0183 hours remaining, 237.843750 MB of memory in use. ENERGY: 3835000 3958.2417 20537.7560 14504.7605 241.7163 -203760.9550 2941.5370 0.0000 0.0000 51957.5226 -109619.4209 298.6006 -161576.9435 -109252.8259 299.2935 -85.5122 -58.8814 762502.9195 -1.9913 -1.9265 PRESSURE: 3835200 147.828 -97.0701 -93.2137 -97.0701 144.392 76.1067 -93.2126 76.106 226.357 GPRESSURE: 3835200 204.593 -7.8485 -115.983 -134.183 118.829 130.599 -71.6196 202.703 251.436 PRESSAVG: 3835200 -25.8831 -14.2631 -20.505 -14.263 43.124 -4.84185 -20.505 -4.84186 12.0958 GPRESSAVG: 3835200 -25.8683 -11.137 -18.0075 -14.7158 42.5172 -4.62052 -23.3201 -4.01514 11.8752 TIMING: 3835200 CPU: 12126.2, 0.00314262/step Wall: 12126.2, 0.00314262/step, 1.01681 hours remaining, 237.843750 MB of memory in use. ENERGY: 3835200 3961.7501 20687.3011 14502.2503 237.9607 -203860.4721 2904.9177 0.0000 0.0000 52180.8178 -109385.4744 299.8839 -161566.2921 -109023.0340 299.4608 172.8590 191.6192 763368.4955 9.7789 9.5081 PRESSURE: 3835400 -58.4375 -67.2482 -127.09 -67.2477 249.779 81.677 -127.089 81.6776 -144.762 GPRESSURE: 3835400 -171.299 -27.2713 -103.699 24.9292 268.743 -23.9355 -126.204 21.9376 28.629 PRESSAVG: 3835400 25.7398 -38.4086 -30.3084 -38.4086 -33.0183 33.379 -30.3084 33.379 6.23896 GPRESSAVG: 3835400 25.135 -39.4648 -32.934 -39.228 -34.3598 34.7767 -28.7739 31.9981 7.6999 TIMING: 3835400 CPU: 12126.8, 0.00315503/step Wall: 12126.8, 0.00315503/step, 1.02065 hours remaining, 237.843750 MB of memory in use. ENERGY: 3835400 3981.3165 20595.0069 14490.3507 237.2859 -203227.1485 2452.3380 0.0000 0.0000 52205.7807 -109265.0699 300.0273 -161470.8505 -108909.3389 299.7228 15.5266 42.0242 762636.6239 -0.3465 -0.5083 PRESSURE: 3835600 133.662 -66.8863 78.1543 -66.8859 165.416 235.077 78.1536 235.077 490.976 GPRESSURE: 3835600 106.729 -76.03 94.1049 -170.587 236.24 163.803 86.1339 186.771 526.793 PRESSAVG: 3835600 0.707768 -91.5312 13.8959 -91.5313 -53.9484 -1.88457 13.8959 -1.88453 0.710256 GPRESSAVG: 3835600 0.852875 -94.0199 14.4569 -91.6314 -54.033 -4.03543 12.6416 -3.05107 0.334929 TIMING: 3835600 CPU: 12127.4, 0.00316878/step Wall: 12127.4, 0.00316878/step, 1.02492 hours remaining, 237.843750 MB of memory in use. ENERGY: 3835600 4030.3981 20682.1266 14407.1551 262.6031 -203613.7361 2759.4715 0.0000 0.0000 52031.3635 -109440.6182 299.0250 -161471.9817 -109077.0597 299.4886 263.3513 289.9204 762615.5585 -17.5101 -17.6151 PRESSURE: 3835800 241.725 -60.3491 -241.999 -60.3489 -4.01413 -32.5513 -242 -32.5508 -154.084 GPRESSURE: 3835800 315.623 -86.7428 -244.33 -98.3541 -17.8481 61.2257 -13.8474 5.45918 -139.977 PRESSAVG: 3835800 14.1088 -58.8836 -41.941 -58.8836 -14.3286 25.4422 -41.9409 25.4422 10.2837 GPRESSAVG: 3835800 13.602 -56.0884 -42.1848 -59.2333 -13.8161 26.6101 -40.5793 25.5038 10.3658 TIMING: 3835800 CPU: 12128.1, 0.00317097/step Wall: 12128.1, 0.00317097/step, 1.02546 hours remaining, 237.843750 MB of memory in use. ENERGY: 3835800 3952.9788 20539.5109 14430.2189 241.1726 -203299.8808 2637.8756 0.0000 0.0000 52226.9643 -109271.1596 300.1491 -161498.1239 -108901.8916 299.3127 27.8756 52.5992 761858.9983 3.3546 3.3839 PRESSURE: 3836000 1.09368 100.121 100.069 100.121 93.6962 235.617 100.07 235.618 -18.7895 GPRESSURE: 3836000 39.7388 73.2392 43.0521 -44.5152 66.5533 308.177 110.011 253.401 74.8343 PRESSAVG: 3836000 -19.6327 -32.3643 30.0903 -32.3642 16.6181 41.7869 30.0904 41.7868 -11.8514 GPRESSAVG: 3836000 -19.2602 -33.5917 30.3046 -30.2507 16.1539 42.5185 29.869 44.6889 -12.0193 TIMING: 3836000 CPU: 12128.7, 0.00315015/step Wall: 12128.7, 0.00315015/step, 1.01855 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3836000 4021.7037 20501.8985 14446.1447 246.7163 -203538.3282 2839.1877 0.0000 0.0000 52204.2112 -109278.4660 300.0183 -161482.6772 -108918.1145 299.7761 25.3335 60.3755 760833.6838 -4.9553 -5.0419 PRESSURE: 3836200 56.5446 -121.609 229.804 -121.609 133.622 -3.57085 229.804 -3.57038 87.8644 GPRESSURE: 3836200 38.198 50.2708 196.113 -64.6406 221.316 -40.9512 189.294 -82.5939 105.446 PRESSAVG: 3836200 29.3598 -55.1286 30.9085 -55.1286 -26.8886 -7.88067 30.9085 -7.8807 -9.37528 GPRESSAVG: 3836200 29.382 -56.3483 31.5625 -55.0367 -25.9719 -9.61236 29.414 -7.78245 -10.0162 TIMING: 3836200 CPU: 12129.3, 0.00316506/step Wall: 12129.3, 0.00316506/step, 1.02319 hours remaining, 237.843750 MB of memory in use. ENERGY: 3836200 3994.5606 20522.0231 14512.3104 258.3824 -202999.7894 2430.8973 0.0000 0.0000 52020.9187 -109260.6969 298.9649 -161281.6156 -108908.4263 299.7029 92.6770 121.6534 760574.2347 -2.3014 -2.2020 LDB: ============= START OF LOAD BALANCING ============== 12141.7 LDB: ============== END OF LOAD BALANCING =============== 12141.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12141.7 LDB: ============= START OF LOAD BALANCING ============== 12142 LDB: Largest compute 7078 load 0.034473 is 17.6% of average load 0.195983 LDB: Average compute 0.004399 is 2.2% of average load 0.195983 LDB: TIME 12142.1 LOAD: AVG 0.195983 MAX 0.220847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.922 MB LDB: TIME 12142.1 LOAD: AVG 0.195983 MAX 0.220847 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: TIME 12142.1 LOAD: AVG 0.195983 MAX 0.216641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: ============== END OF LOAD BALANCING =============== 12142.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12142.1 PRESSURE: 3836400 -87.5861 -88.0087 -152.774 -88.0088 -74.7845 6.60753 -152.774 6.60778 -341.716 GPRESSURE: 3836400 -33.3172 -89.9474 -75.0174 -51.5294 -42.9452 52.5416 -178.002 -59.5076 -354.163 PRESSAVG: 3836400 12.1459 -47.9167 -3.54865 -47.9167 -32.7948 -24.8505 -3.54865 -24.8505 24.4604 GPRESSAVG: 3836400 12.1302 -47.5783 -4.14571 -48.9102 -34.2046 -25.0715 -2.36976 -26.1629 25.613 TIMING: 3836400 CPU: 12130, 0.00324444/step Wall: 12130, 0.00324444/step, 1.04867 hours remaining, 238.355469 MB of memory in use. ENERGY: 3836400 3924.9255 20551.9202 14437.6509 235.6771 -203003.1190 2543.6947 0.0000 0.0000 52115.2967 -109193.9539 299.5073 -161309.2505 -108832.7481 299.6421 -168.0288 -143.4753 762149.6987 1.2705 1.1795 PRESSURE: 3836600 -259.693 9.63766 197.204 9.6378 -45.0454 -140.629 197.204 -140.629 -62.7643 GPRESSURE: 3836600 -265.234 20.7009 202.94 -56.9289 29.9123 -119.782 73.2772 -50.1301 -85.1622 PRESSAVG: 3836600 28.5078 -12.9766 8.66943 -12.9766 -27.2914 -7.78666 8.66937 -7.78658 -5.73423 GPRESSAVG: 3836600 27.4829 -12.284 7.78325 -12.938 -26.3027 -7.87173 9.0207 -7.21203 -5.3653 TIMING: 3836600 CPU: 12130.6, 0.00316945/step Wall: 12130.6, 0.00316945/step, 1.02426 hours remaining, 238.355469 MB of memory in use. ENERGY: 3836600 4032.8119 20677.5617 14492.7684 222.7588 -203132.7254 2423.6035 0.0000 0.0000 52119.9800 -109163.2411 299.5342 -161283.2211 -108788.7404 299.7032 -122.5008 -106.8281 762498.0819 -1.5059 -1.3951 PRESSURE: 3836800 -76.4876 -68.5786 -252.996 -68.5777 121.801 -94.4624 -252.996 -94.4625 193.272 GPRESSURE: 3836800 -10.9914 -129.369 -311.518 -95.1215 110.828 -174.329 -135.559 -22.4206 193.928 PRESSAVG: 3836800 -29.7766 -24.1189 -22.4667 -24.1189 17.4281 47.9039 -22.4667 47.9039 0.237013 GPRESSAVG: 3836800 -29.0626 -23.3716 -22.6984 -23.9167 17.3921 47.7969 -23.7177 47.0465 -0.31249 TIMING: 3836800 CPU: 12131.2, 0.00315242/step Wall: 12131.2, 0.00315242/step, 1.01858 hours remaining, 238.355469 MB of memory in use. ENERGY: 3836800 4061.3600 20780.2991 14473.2571 245.7428 -203579.4932 2834.3276 0.0000 0.0000 51826.1892 -109358.3174 297.8458 -161184.5067 -109005.4298 299.7857 79.5285 97.9215 761546.8034 -4.0372 -3.9943 PRESSURE: 3837000 117.607 -7.1884 304.653 -7.18798 -38.9549 43.199 304.653 43.1997 -105.453 GPRESSURE: 3837000 38.5447 60.5693 327.41 -80.7914 36.5279 91.8277 200.004 -37.449 1.44973 PRESSAVG: 3837000 26.8454 -42.1862 2.9821 -42.1863 -28.0509 9.97102 2.98214 9.97098 8.59913 GPRESSAVG: 3837000 27.1393 -43.774 3.61215 -42.3722 -26.5448 10.8505 3.9087 10.486 7.66548 TIMING: 3837000 CPU: 12131.9, 0.00317147/step Wall: 12131.9, 0.00317147/step, 1.02456 hours remaining, 238.355469 MB of memory in use. ENERGY: 3837000 3984.0600 20475.4970 14481.2991 241.5454 -202798.5749 2386.3054 0.0000 0.0000 51933.2721 -109296.5959 298.4612 -161229.8679 -108931.6644 299.2856 -8.9338 25.5074 761752.8604 2.4645 2.7533 PRESSURE: 3837200 -37.0341 -7.31105 62.6188 -7.31136 -166.023 -92.971 62.6182 -92.9713 -70.3632 GPRESSURE: 3837200 -46.7505 -56.5352 -76.8201 74.7631 -76.8547 -109.735 -81.5768 -30.3431 -62.2734 PRESSAVG: 3837200 23.4611 -35.1156 21.8838 -35.1155 -4.16778 -14.1414 21.8837 -14.1414 -4.88735 GPRESSAVG: 3837200 24.0315 -33.2561 22.9056 -34.9923 -5.42037 -14.8057 19.1825 -15.2717 -4.30036 TIMING: 3837200 CPU: 12132.5, 0.00315637/step Wall: 12132.5, 0.00315637/step, 1.01951 hours remaining, 238.355469 MB of memory in use. ENERGY: 3837200 3987.0037 20557.8969 14359.3578 230.8498 -202911.7442 2403.3319 0.0000 0.0000 52132.2688 -109241.0354 299.6049 -161373.3042 -108876.0822 299.7248 -91.1402 -61.9595 761887.0787 4.8020 4.7703 PRESSURE: 3837400 -80.3336 43.2865 89.2736 43.2865 -41.4556 -371.666 89.2738 -371.666 72.4792 GPRESSURE: 3837400 -54.4433 81.6832 107.413 45.6885 53.8302 -350.31 135.327 -289.501 39.8172 PRESSAVG: 3837400 7.10094 17.7228 51.4565 17.7228 8.85304 44.5368 51.4564 44.5368 -5.55271 GPRESSAVG: 3837400 5.6037 15.1109 51.7531 18.4766 9.72543 45.6812 52.8103 44.6853 -5.07834 TIMING: 3837400 CPU: 12133.1, 0.00315602/step Wall: 12133.1, 0.00315602/step, 1.01922 hours remaining, 238.355469 MB of memory in use. ENERGY: 3837400 3971.4942 20364.3637 14422.3221 250.2980 -203053.9977 2524.2225 0.0000 0.0000 52199.9751 -109321.3221 299.9940 -161521.2972 -108953.0134 299.8318 -16.4367 13.0680 761582.2092 3.4671 3.4169 PRESSURE: 3837600 -534.424 17.3726 175.174 17.3721 -185.841 354.035 175.175 354.036 13.3918 GPRESSURE: 3837600 -452.629 -94.0559 114.319 -27.0082 -202.754 354.212 147.008 225.778 50.485 PRESSAVG: 3837600 -77.027 11.5472 -4.02684 11.5473 65.1709 21.4977 -4.02681 21.4977 -1.74565 GPRESSAVG: 3837600 -78.0833 11.8231 -6.58774 11.7992 64.7856 22.0789 -2.35967 22.2137 -0.307054 TIMING: 3837600 CPU: 12133.8, 0.00314598/step Wall: 12133.8, 0.00314598/step, 1.0158 hours remaining, 238.355469 MB of memory in use. ENERGY: 3837600 4053.2991 20558.7162 14487.2990 237.5586 -203265.0388 2468.6526 0.0000 0.0000 52159.5330 -109299.9803 299.7616 -161459.5133 -108928.5207 299.9815 -235.6244 -201.6327 761208.4377 -4.5339 -4.5349 PRESSURE: 3837800 341.633 50.9119 102.277 50.9109 321.633 292.94 102.278 292.941 314.696 GPRESSURE: 3837800 443.504 134.039 49.4553 48.2596 348.87 313.233 81.0816 278.68 262.22 PRESSAVG: 3837800 49.7665 21.9063 -5.14392 21.9063 -29.0742 66.0704 -5.14388 66.0703 0.0593728 GPRESSAVG: 3837800 51.3332 23.3103 -4.38373 20.9273 -30.1625 64.8255 -4.82186 66.8629 -0.84152 TIMING: 3837800 CPU: 12134.4, 0.00313097/step Wall: 12134.4, 0.00313097/step, 1.01078 hours remaining, 238.355469 MB of memory in use. ENERGY: 3837800 3958.1839 20551.5673 14448.8806 237.8566 -203648.5624 3015.6414 0.0000 0.0000 52091.1948 -109345.2378 299.3688 -161436.4325 -108978.1994 299.5783 325.9871 351.5316 760725.8383 6.9172 6.7764 PRESSURE: 3838000 13.9777 1.99601 174.316 1.99572 11.0292 169.543 174.316 169.542 249.202 GPRESSURE: 3838000 7.04727 -63.0375 185.163 44.1913 84.9599 126.872 240.935 157.356 291.184 PRESSAVG: 3838000 -10.199 9.97551 -0.183644 9.9755 47.8717 29.6857 -0.183669 29.6856 0.0227081 GPRESSAVG: 3838000 -10.5942 9.60444 1.96781 9.33666 49.7166 30.2147 -0.51094 28.0244 -1.13459 TIMING: 3838000 CPU: 12135, 0.00314441/step Wall: 12135, 0.00314441/step, 1.01495 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3838000 3912.8963 20591.5046 14391.6217 232.7780 -203647.0703 2885.3372 0.0000 0.0000 52143.1048 -109489.8277 299.6671 -161632.9325 -109113.0016 299.3528 91.4031 127.7303 760700.7383 12.5651 12.6626 PRESSURE: 3838200 -476.946 -32.1654 -20.6117 -32.1663 -19.1356 -86.4198 -20.6115 -86.4197 -625.627 GPRESSURE: 3838200 -374.905 -11.1022 7.79278 -124.492 -101.824 -86.6725 -5.55265 -95.3257 -557.072 PRESSAVG: 3838200 -16.746 -24.2784 26.7755 -24.2784 24.4287 57.4765 26.7755 57.4765 -20.8591 GPRESSAVG: 3838200 -17.2497 -24.1751 24.7182 -24.597 23.7955 55.7418 25.84 60.6337 -19.5231 TIMING: 3838200 CPU: 12135.7, 0.00314815/step Wall: 12135.7, 0.00314815/step, 1.01598 hours remaining, 238.355469 MB of memory in use. ENERGY: 3838200 4021.1475 20676.0209 14491.3019 253.1857 -203409.9052 2562.1980 0.0000 0.0000 52070.0142 -109336.0370 299.2471 -161406.0512 -108980.1977 299.2169 -373.9028 -344.6006 761751.0117 -4.3921 -4.3257 PRESSURE: 3838400 115.181 -29.1415 -244.535 -29.1415 97.9016 59.0105 -244.534 59.01 -68.5948 GPRESSURE: 3838400 147.309 79.1763 -269.312 -51.1644 48.8284 77.4767 -78.3561 63.4555 16.6204 PRESSAVG: 3838400 -16.3587 18.5351 11.6879 18.5351 14.1438 64.9427 11.6879 64.9427 -15.552 GPRESSAVG: 3838400 -16.8156 19.5826 11.7779 18.3485 14.2704 65.416 12.6489 62.286 -15.504 TIMING: 3838400 CPU: 12136.3, 0.00318559/step Wall: 12136.3, 0.00318559/step, 1.02788 hours remaining, 238.355469 MB of memory in use. ENERGY: 3838400 4005.1192 20451.9442 14418.5799 249.4393 -203790.2518 2936.0203 0.0000 0.0000 52242.7007 -109486.4482 300.2395 -161729.1489 -109114.1184 299.6398 48.1626 70.9193 761112.5512 -5.9223 -6.0164 PRESSURE: 3838600 -60.1867 -24.0823 152.884 -24.0825 157.976 -77.4849 152.884 -77.4842 96.4473 GPRESSURE: 3838600 0.984393 -26.7606 67.0178 -123.774 219.237 -145.119 31.3044 46.4162 44.1116 PRESSAVG: 3838600 -56.7101 -101.653 -5.76374 -101.653 0.696731 23.9819 -5.76374 23.9819 10.8358 GPRESSAVG: 3838600 -55.1361 -101.996 -4.6022 -101.883 1.10274 25.9636 -8.29017 23.803 9.0555 TIMING: 3838600 CPU: 12136.9, 0.00315843/step Wall: 12136.9, 0.00315843/step, 1.01895 hours remaining, 238.355469 MB of memory in use. ENERGY: 3838600 3947.0604 20499.3803 14417.2171 269.6333 -203287.1550 2574.2499 0.0000 0.0000 52228.7683 -109350.8458 300.1594 -161579.6140 -108983.3446 299.2896 64.7454 88.1109 761963.3449 -15.0592 -14.9926 PRESSURE: 3838800 -121.911 -134.14 2.88285 -134.14 -99.0527 -235.88 2.88255 -235.88 -307.261 GPRESSURE: 3838800 -114.377 -112.625 39.7215 -67.6052 -62.904 -164.952 -82.3509 -286.623 -251.701 PRESSAVG: 3838800 24.4004 -40.3173 38.6564 -40.3174 -13.0664 -54.51 38.6564 -54.51 -2.91431 GPRESSAVG: 3838800 24.0198 -43.0353 37.5746 -39.3126 -13.7769 -55.3061 40.3934 -54.6241 -1.58655 TIMING: 3838800 CPU: 12137.6, 0.00315577/step Wall: 12137.6, 0.00315577/step, 1.01791 hours remaining, 238.355469 MB of memory in use. ENERGY: 3838800 3970.5142 20608.5569 14429.7851 252.6009 -203307.3869 2355.7258 0.0000 0.0000 52110.6571 -109579.5470 299.4807 -161690.2040 -109219.0466 299.1809 -176.0748 -142.9941 760209.8462 2.8066 2.8855 PRESSURE: 3839000 -358.339 -59.1967 10.3642 -59.1961 -158.847 265.303 10.3635 265.303 -16.0174 GPRESSURE: 3839000 -319.076 -112.436 -23.5514 -128.664 -160.546 204.672 26.0666 194.022 21.5624 PRESSAVG: 3839000 13.7427 -29.2902 57.2084 -29.2902 -3.31602 18.6512 57.2084 18.6512 7.57721 GPRESSAVG: 3839000 13.9869 -27.2865 57.7374 -30.074 -2.91994 19.5129 56.9445 18.5488 7.42124 TIMING: 3839000 CPU: 12138.2, 0.00314781/step Wall: 12138.2, 0.00314781/step, 1.01517 hours remaining, 238.355469 MB of memory in use. ENERGY: 3839000 4018.1273 20565.7166 14385.8617 276.2931 -203367.2869 2482.7826 0.0000 0.0000 51983.1116 -109655.3940 298.7477 -161638.5057 -109296.8557 298.6236 -177.7343 -152.6864 759778.4458 6.0013 6.1627 PRESSURE: 3839200 -210.279 -337.174 59.2013 -337.174 -78.7339 170.778 59.2026 170.778 156.953 GPRESSURE: 3839200 -101.321 -313.825 93.1931 -324.379 -97.3978 192.904 45.7557 206.503 153.056 PRESSAVG: 3839200 -15.8081 18.1557 28.4343 18.1557 -0.318138 18.8093 28.4343 18.8092 8.38419 GPRESSAVG: 3839200 -15.2692 17.9614 28.0035 19.0142 -1.55772 17.8545 28.349 19.7815 8.73787 TIMING: 3839200 CPU: 12138.8, 0.00315829/step Wall: 12138.8, 0.00315829/step, 1.01837 hours remaining, 238.355469 MB of memory in use. ENERGY: 3839200 3939.4247 20466.5590 14479.2612 240.2856 -203108.9806 2416.0533 0.0000 0.0000 51878.8042 -109688.5926 298.1482 -161567.3967 -109328.6996 298.7043 -44.0202 -15.2209 761461.8233 -2.5807 -2.6963 PRESSURE: 3839400 -173.254 -219.343 -33.8886 -219.343 -250.274 135.98 -33.8896 135.979 -21.1818 GPRESSURE: 3839400 -142.798 19.9081 -27.8431 -271.329 -204.329 143.568 16.4451 170.589 -18.0538 PRESSAVG: 3839400 -16.0003 -86.0538 42.3296 -86.0538 -20.4246 44.2294 42.3296 44.2293 10.313 GPRESSAVG: 3839400 -16.3994 -85.3718 43.5277 -86.6113 -19.6257 44.4774 43.4176 45.1192 10.1737 TIMING: 3839400 CPU: 12139.4, 0.00317441/step Wall: 12139.4, 0.00317441/step, 1.02339 hours remaining, 238.355469 MB of memory in use. ENERGY: 3839400 3960.6828 20667.0114 14399.8807 235.7834 -203525.0493 2579.6186 0.0000 0.0000 52021.1658 -109660.9064 298.9664 -161682.0723 -109294.2841 298.4247 -148.2365 -121.7271 761837.1053 -8.7040 -8.6172 PRESSURE: 3839600 95.318 -11.2375 56.0506 -11.2384 -26.9814 -32.5552 56.0509 -32.5562 297.393 GPRESSURE: 3839600 160.215 120.349 19.7678 -9.96837 44.3439 -2.61978 2.7785 -13.9873 244.974 PRESSAVG: 3839600 -23.239 -46.6111 -19.211 -46.6111 11.3001 18.2978 -19.211 18.2978 -19.9752 GPRESSAVG: 3839600 -21.7302 -47.8419 -18.576 -44.7544 10.5269 18.6962 -20.9174 16.6172 -20.2032 TIMING: 3839600 CPU: 12140.1, 0.00315525/step Wall: 12140.1, 0.00315525/step, 1.01704 hours remaining, 238.355469 MB of memory in use. ENERGY: 3839600 3923.2430 20473.5334 14378.5292 247.0390 -203339.1101 2568.3347 0.0000 0.0000 52226.8672 -109521.5635 300.1485 -161748.4307 -109163.5297 298.7353 121.9099 149.8446 759409.6743 -10.6380 -10.4688 PRESSURE: 3839800 -79.5922 -1.93843 -60.9338 -1.93744 -337.055 12.4144 -60.9346 12.4138 658.833 GPRESSURE: 3839800 -20.2962 -63.0754 -121.61 42.475 -246.394 97.649 -214.483 -118.086 606.524 PRESSAVG: 3839800 -12.1669 -39.5605 -5.57677 -39.5605 68.8243 -10.6577 -5.57676 -10.6577 3.21478 GPRESSAVG: 3839800 -14.4771 -38.552 -7.69878 -40.6064 71.0565 -9.6965 -6.54334 -9.90915 3.3822 TIMING: 3839800 CPU: 12140.7, 0.00316971/step Wall: 12140.7, 0.00316971/step, 1.02153 hours remaining, 238.355469 MB of memory in use. ENERGY: 3839800 3973.0062 20568.2172 14383.6396 259.0651 -203264.9863 2283.2468 0.0000 0.0000 52332.7851 -109465.0262 300.7572 -161797.8114 -109103.2553 299.2019 80.7286 113.2780 758137.8202 19.9574 19.9872 PRESSURE: 3840000 -357.857 -45.8571 -69.8532 -45.8576 -333.277 260.168 -69.8533 260.168 -557.149 GPRESSURE: 3840000 -300.747 -41.1502 -88.7726 -42.0151 -291.62 248.475 -71.8797 64.3867 -588.446 PRESSAVG: 3840000 -15.7146 -21.6434 23.2476 -21.6435 18.1284 8.22699 23.2476 8.22694 12.3714 GPRESSAVG: 3840000 -15.253 -21.5239 24.4377 -22.1265 17.3843 6.46787 24.021 7.22701 12.631 TIMING: 3840000 CPU: 12141.4, 0.00320128/step Wall: 12141.4, 0.00320128/step, 1.03152 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3840000 4083.7263 20475.9336 14490.1624 231.4815 -203394.8443 2411.1392 0.0000 0.0000 52424.0790 -109278.3224 301.2819 -161702.4013 -108896.0609 299.6419 -416.0941 -393.6043 760139.3332 4.9284 4.9207 PRESSURE: 3840200 180.505 62.0375 -42.0399 62.0371 -255.648 -302.12 -42.0396 -302.12 0.831746 GPRESSURE: 3840200 132.763 39.6521 -5.55717 -55.3194 -227.421 -231.884 -137.865 -234.805 93.2405 PRESSAVG: 3840200 -2.50711 14.028 -46.8089 14.0279 30.4354 19.6269 -46.8089 19.627 3.70743 GPRESSAVG: 3840200 -2.13019 14.2094 -46.8517 13.6405 29.2434 21.1634 -46.1728 21.1416 4.5375 TIMING: 3840200 CPU: 12142, 0.00320116/step Wall: 12142, 0.00320116/step, 1.03131 hours remaining, 238.355469 MB of memory in use. ENERGY: 3840200 3897.6258 20618.6040 14455.5068 240.6958 -203265.7211 2549.6569 0.0000 0.0000 52337.6750 -109165.9569 300.7853 -161503.6319 -108794.2262 299.9105 -24.7703 -0.4725 762315.2762 10.5452 10.5502 LDB: ============= START OF LOAD BALANCING ============== 12154.4 LDB: ============== END OF LOAD BALANCING =============== 12154.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12154.4 LDB: ============= START OF LOAD BALANCING ============== 12154.7 LDB: Largest compute 7068 load 0.036406 is 18.6% of average load 0.196012 LDB: Average compute 0.004389 is 2.2% of average load 0.196012 LDB: TIME 12154.7 LOAD: AVG 0.196012 MAX 0.21631 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 12154.7 LOAD: AVG 0.196012 MAX 0.21631 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 12154.7 LOAD: AVG 0.196012 MAX 0.21631 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 12154.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12154.7 PRESSURE: 3840400 147.485 -43.9607 -38.3404 -43.9606 -184.884 -115.29 -38.3404 -115.291 -101.394 GPRESSURE: 3840400 184.085 -96.2411 -10.3402 56.0938 -87.8307 -152.179 -333.725 -23.9174 -160.603 PRESSAVG: 3840400 56.1506 32.7187 -38.5143 32.7188 -40.4573 -11.6892 -38.5143 -11.6892 0.112035 GPRESSAVG: 3840400 55.1621 30.6863 -38.9778 35.2763 -38.1772 -12.9824 -39.637 -11.9828 -0.967869 TIMING: 3840400 CPU: 12142.6, 0.00326209/step Wall: 12142.6, 0.00326209/step, 1.05076 hours remaining, 238.613281 MB of memory in use. ENERGY: 3840400 3949.1017 20746.6350 14435.6523 234.0703 -203546.4380 2530.2704 0.0000 0.0000 52312.9693 -109337.7390 300.6434 -161650.7083 -108975.4307 300.1561 -46.2646 -21.4494 760873.9144 5.2685 5.3390 PRESSURE: 3840600 -369.162 -9.4559 -178.567 -9.45598 -61.0929 -75.8784 -178.567 -75.8785 -361.264 GPRESSURE: 3840600 -371.315 -44.6573 -146.928 63.7784 39.8292 -12.7565 -143.371 -132.316 -380.118 PRESSAVG: 3840600 12.3157 0.858028 -8.14322 0.858031 -45.7457 -13.4403 -8.14311 -13.4404 -0.70741 GPRESSAVG: 3840600 12.7439 0.39077 -7.35831 -0.302178 -46.204 -13.4129 -7.94635 -12.2741 -0.450958 TIMING: 3840600 CPU: 12143.3, 0.00316724/step Wall: 12143.3, 0.00316724/step, 1.02003 hours remaining, 238.613281 MB of memory in use. ENERGY: 3840600 4098.3645 20724.3892 14429.0046 249.3654 -203388.6525 2460.5841 0.0000 0.0000 52156.6945 -109270.2502 299.7452 -161426.9447 -108911.2483 299.4658 -263.8396 -237.2010 762408.3572 -11.3791 -11.3037 PRESSURE: 3840800 -451.919 -16.6716 -97.5172 -16.6712 129.192 -219.324 -97.5168 -219.324 146.339 GPRESSURE: 3840800 -362.775 -46.4788 6.61732 -56.6275 162.126 -244.037 -78.6049 -130.882 120.203 PRESSAVG: 3840800 -40.822 -57.5099 -25.8256 -57.5098 16.0846 -52.0163 -25.8255 -52.0163 33.1055 GPRESSAVG: 3840800 -40.3221 -54.9397 -25.6166 -58.6595 15.8977 -52.9176 -24.8804 -52.2849 32.7439 TIMING: 3840800 CPU: 12143.9, 0.00316885/step Wall: 12143.9, 0.00316885/step, 1.02037 hours remaining, 238.613281 MB of memory in use. ENERGY: 3840800 4059.9694 20612.7133 14423.7653 244.8800 -203088.5189 2216.2287 0.0000 0.0000 52102.0264 -109428.9359 299.4311 -161530.9622 -109067.4577 299.5259 -58.7959 -26.8152 761584.0808 2.7894 2.7732 PRESSURE: 3841000 -31.2037 106.91 121.45 106.909 -46.4838 257.001 121.45 257.001 381.102 GPRESSURE: 3841000 1.56403 136.828 102.748 91.7358 31.7938 232.795 10.3999 213.851 319.455 PRESSAVG: 3841000 -11.4756 22.4222 10.6086 22.4222 -17.285 -21.8536 10.6086 -21.8536 -21.3731 GPRESSAVG: 3841000 -12.3506 21.8672 11.7775 24.6139 -16.6789 -21.8956 6.82334 -20.5345 -21.5842 TIMING: 3841000 CPU: 12144.6, 0.00319856/step Wall: 12144.6, 0.00319856/step, 1.02976 hours remaining, 238.613281 MB of memory in use. ENERGY: 3841000 3994.9323 20432.9510 14446.6035 234.3420 -203255.6069 2655.1011 0.0000 0.0000 51978.5328 -109513.1442 298.7213 -161491.6770 -109147.2470 299.2780 101.1383 117.6044 761789.9202 -16.7113 -16.8712 PRESSURE: 3841200 -89.7125 -116.05 -136.969 -116.05 252.715 82.97 -136.969 82.9701 308.131 GPRESSURE: 3841200 40.1948 37.7958 -134.316 -97.07 223.949 140.883 -57.1619 36.2879 286.499 PRESSAVG: 3841200 -6.0647 -5.71529 -30.8818 -5.71529 29.235 -10.2962 -30.8819 -10.2961 12.0056 GPRESSAVG: 3841200 -6.3765 -5.26793 -31.1632 -7.40162 29.575 -9.67905 -27.924 -11.5921 11.5498 TIMING: 3841200 CPU: 12145.2, 0.00318758/step Wall: 12145.2, 0.00318758/step, 1.02605 hours remaining, 238.613281 MB of memory in use. ENERGY: 3841200 3958.7706 20516.8620 14375.4146 253.1022 -203286.3645 2762.7716 0.0000 0.0000 52185.2396 -109234.2040 299.9093 -161419.4435 -108873.1482 299.3472 157.0444 183.5474 761447.4807 11.7253 11.5828 PRESSURE: 3841400 -45.1969 149.374 -48.1015 149.374 155.574 -8.00794 -48.102 -8.00804 223.659 GPRESSURE: 3841400 13.4966 133.292 -127.688 211.294 202.919 35.1546 -154.969 10.5556 210.961 PRESSAVG: 3841400 4.06569 -31.2533 25.089 -31.2533 17.3046 11.7634 25.089 11.7634 3.73359 GPRESSAVG: 3841400 4.22716 -30.0641 23.283 -31.7877 16.1345 11.8826 26.8412 10.8724 5.25936 TIMING: 3841400 CPU: 12145.8, 0.00317838/step Wall: 12145.8, 0.00317838/step, 1.02291 hours remaining, 238.613281 MB of memory in use. ENERGY: 3841400 3940.8294 20559.5525 14386.7243 259.2308 -202951.6265 2495.0735 0.0000 0.0000 52151.0432 -109159.1729 299.7128 -161310.2162 -108795.1307 299.3855 111.3457 142.4588 762267.7906 8.3680 8.5404 PRESSURE: 3841600 -393.271 198.223 -77.4894 198.224 -80.7505 258.104 -77.4898 258.104 -0.7808 GPRESSURE: 3841600 -294.048 277.656 -99.4962 28.691 -103.039 190.288 -74.6001 146.196 23.8199 PRESSAVG: 3841600 -12.6935 9.63494 -59.2911 9.63493 -18.8527 42.0559 -59.2911 42.0558 -5.89718 GPRESSAVG: 3841600 -12.1299 7.03061 -57.9259 10.2752 -17.4011 40.411 -60.998 42.3515 -7.95476 TIMING: 3841600 CPU: 12146.5, 0.00317525/step Wall: 12146.5, 0.00317525/step, 1.02172 hours remaining, 238.613281 MB of memory in use. ENERGY: 3841600 4036.9047 20525.5707 14401.1664 243.3669 -203036.3455 2367.1554 0.0000 0.0000 52238.5853 -109223.5960 300.2159 -161462.1813 -108870.0980 300.0974 -158.2675 -124.4225 761779.4636 -12.4811 -12.4953 PRESSURE: 3841800 41.384 1.87463 58.9442 1.87443 -3.80828 -268.48 58.9436 -268.479 -54.3235 GPRESSURE: 3841800 99.909 230.448 -9.79338 19.7892 51.934 -200.935 -86.9658 -320.297 -97.317 PRESSAVG: 3841800 -3.30091 -22.3242 -35.2035 -22.3242 49.4505 23.4187 -35.2035 23.4187 14.7281 GPRESSAVG: 3841800 -1.20848 -21.0014 -36.4143 -21.5967 46.2212 26.637 -33.3132 23.0937 15.8719 TIMING: 3841800 CPU: 12147.1, 0.00316968/step Wall: 12147.1, 0.00316968/step, 1.01976 hours remaining, 238.613281 MB of memory in use. ENERGY: 3841800 4082.7321 20561.5147 14435.5269 264.3271 -203339.6236 2641.7910 0.0000 0.0000 52095.9092 -109257.8227 299.3959 -161353.7319 -108894.2557 300.0179 -5.5826 18.1753 760184.8409 20.2926 20.2949 PRESSURE: 3842000 175.338 -13.5627 -250.319 -13.5626 -7.34886 53.9529 -250.32 53.9526 6.07568 GPRESSURE: 3842000 192.441 -118.964 -248.323 -73.2256 90.0297 67.2842 -226.784 -3.26716 -25.1769 PRESSAVG: 3842000 -12.4996 7.03089 15.7617 7.03088 -0.00107765 12.8764 15.7617 12.8765 -24.2694 GPRESSAVG: 3842000 -14.0946 5.74205 14.9392 4.90102 2.16108 11.581 15.4522 13.8643 -25.3463 TIMING: 3842000 CPU: 12147.7, 0.00316613/step Wall: 12147.7, 0.00316613/step, 1.01844 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3842000 3989.8232 20522.9296 14341.4567 248.9135 -203322.2822 2669.8294 0.0000 0.0000 52443.8765 -109105.4533 301.3957 -161549.3298 -108730.4822 300.0388 58.0217 85.7648 762057.4348 -12.2567 -12.4266 PRESSURE: 3842200 -297.073 -51.1426 52.7387 -51.1423 87.6669 -143.848 52.7386 -143.848 -455.29 GPRESSURE: 3842200 -195.769 -79.2277 -41.5149 -83.6602 69.9086 -133.032 -5.2649 -148.497 -442.864 PRESSAVG: 3842200 -4.59833 -36.15 -28.2927 -36.15 6.57055 -45.481 -28.2927 -45.481 19.5362 GPRESSAVG: 3842200 -4.7268 -36.0814 -25.4554 -35.415 5.26465 -45.3155 -29.7587 -46.4968 20.959 TIMING: 3842200 CPU: 12148.4, 0.00320295/step Wall: 12148.4, 0.00320295/step, 1.03011 hours remaining, 238.613281 MB of memory in use. ENERGY: 3842200 3984.1851 20567.6773 14394.2878 252.8842 -203235.4533 2363.7835 0.0000 0.0000 52201.8281 -109470.8072 300.0046 -161672.6354 -109105.5388 300.1881 -221.5653 -189.5747 761181.5629 7.1695 7.1656 PRESSURE: 3842400 -40.7078 62.2064 -158.45 62.2069 -267.553 -75.7304 -158.45 -75.7309 277.623 GPRESSURE: 3842400 6.36634 192.236 -188.57 -71.2688 -190.622 -92.7603 -128.926 -45.4719 226.014 PRESSAVG: 3842400 21.9531 -0.142729 -39.0408 -0.142769 -23.6744 8.79048 -39.0409 8.79051 -3.67016 GPRESSAVG: 3842400 21.2032 2.40403 -40.6852 0.375818 -22.4325 8.2952 -38.6183 8.90221 -3.57058 TIMING: 3842400 CPU: 12149, 0.0031943/step Wall: 12149, 0.0031943/step, 1.02714 hours remaining, 238.613281 MB of memory in use. ENERGY: 3842400 3915.7802 20526.3558 14361.3345 255.0425 -203421.3165 2677.7555 0.0000 0.0000 52195.9464 -109489.1016 299.9708 -161685.0480 -109139.9146 299.2234 -10.2127 13.9195 762435.5549 -1.7971 -1.6000 PRESSURE: 3842600 37.1516 -82.8169 311.137 -82.8171 -337.469 -3.13693 311.137 -3.13798 -433.774 GPRESSURE: 3842600 31.8245 -219.036 248.22 61.0358 -348.127 -45.4284 223.88 -12.4124 -344.394 PRESSAVG: 3842600 41.0408 -23.4606 -18.502 -23.4604 -64.5582 16.8046 -18.502 16.8046 -9.22391 GPRESSAVG: 3842600 40.986 -24.328 -20.0386 -22.6194 -64.3992 17.8735 -18.1843 16.8313 -9.67697 TIMING: 3842600 CPU: 12149.6, 0.00316605/step Wall: 12149.6, 0.00316605/step, 1.01788 hours remaining, 238.613281 MB of memory in use. ENERGY: 3842600 4019.0731 20430.0709 14430.2640 248.1374 -203497.8657 2878.9025 0.0000 0.0000 52052.7587 -109438.6591 299.1479 -161491.4179 -109077.0956 298.9625 -244.6970 -220.2321 762198.1375 -10.9138 -11.0301 PRESSURE: 3842800 -242.788 -155.043 29.7748 -155.042 134.302 29.43 29.7747 29.4294 -31.0368 GPRESSURE: 3842800 -145.358 -123.419 35.4075 -179.634 49.6367 74.2005 66.1732 94.5884 53.7253 PRESSAVG: 3842800 36.0922 4.51928 -2.77855 4.5194 -64.0973 33.9356 -2.77854 33.9356 -28.7989 GPRESSAVG: 3842800 35.7897 5.75263 -0.949721 2.84466 -64.577 33.2869 -3.66456 33.8657 -28.0306 TIMING: 3842800 CPU: 12150.3, 0.00318231/step Wall: 12150.3, 0.00318231/step, 1.02294 hours remaining, 238.613281 MB of memory in use. ENERGY: 3842800 3989.4684 20576.9351 14369.4905 228.0462 -203329.1521 2720.3189 0.0000 0.0000 52061.1015 -109383.7915 299.1959 -161444.8930 -109022.8193 298.8429 -46.5078 -13.9985 760905.2370 -18.9347 -18.9393 PRESSURE: 3843000 323.691 -184.363 -67.1505 -184.362 1.05223 14.5848 -67.1499 14.5845 -8.07654 GPRESSURE: 3843000 289.185 -116.086 -129.62 -205.976 109.437 -3.32631 -48.4641 25.284 8.60326 PRESSAVG: 3843000 25.5839 2.80989 16.5443 2.80992 -30.0765 19.6411 16.5443 19.6411 13.5101 GPRESSAVG: 3843000 26.609 2.72474 16.4484 1.80523 -29.7685 18.2922 17.4666 19.9115 12.117 TIMING: 3843000 CPU: 12150.9, 0.00318531/step Wall: 12150.9, 0.00318531/step, 1.02372 hours remaining, 238.613281 MB of memory in use. ENERGY: 3843000 3949.5300 20726.8812 14378.9354 274.8778 -203532.9727 2994.8564 0.0000 0.0000 51836.8065 -109371.0853 297.9068 -161207.8918 -109006.6852 299.2542 105.5557 135.7418 761551.7704 3.0058 2.9858 PRESSURE: 3843200 -67.3801 -147.392 -0.531321 -147.393 -97.1255 -234.4 -0.531399 -234.4 40.2782 GPRESSURE: 3843200 -71.2776 -115.991 -79.4174 -141.42 -25.8589 -241.748 67.9907 -246.77 57.1664 PRESSAVG: 3843200 44.8483 -5.42032 48.7182 -5.42038 -17.5527 20.7296 48.7182 20.7296 -2.12849 GPRESSAVG: 3843200 43.7331 -6.02149 47.7807 -3.74701 -16.8576 20.8393 47.3065 21.111 -1.54731 TIMING: 3843200 CPU: 12151.5, 0.00315409/step Wall: 12151.5, 0.00315409/step, 1.01351 hours remaining, 238.613281 MB of memory in use. ENERGY: 3843200 4026.1212 20661.8435 14419.3130 250.0646 -203565.0487 2640.8641 0.0000 0.0000 52236.3907 -109330.4515 300.2033 -161566.8423 -108973.2786 299.2472 -41.4091 -13.3233 760986.1156 8.3890 8.4427 PRESSURE: 3843400 94.3236 -77.4781 146.586 -77.4775 386.77 -151.103 146.585 -151.102 346.115 GPRESSURE: 3843400 189.255 -59.0018 142.484 -142.542 346.695 -84.0065 302.195 -96.1174 391.584 PRESSAVG: 3843400 -4.49407 -3.26281 60.7702 -3.26275 -24.3479 -0.616258 60.7702 -0.61626 -4.731 GPRESSAVG: 3843400 -4.0239 -4.00433 62.3095 -4.53038 -24.5569 1.06247 62.2464 -0.44658 -5.30942 TIMING: 3843400 CPU: 12152.2, 0.00315285/step Wall: 12152.2, 0.00315285/step, 1.01294 hours remaining, 238.613281 MB of memory in use. ENERGY: 3843400 3994.8467 20532.4025 14402.0166 235.0818 -203610.0518 2878.7689 0.0000 0.0000 52053.6531 -109513.2822 299.1531 -161566.9352 -109147.0875 299.8356 275.7363 309.1779 759491.0372 -11.1910 -11.2968 PRESSURE: 3843600 88.9365 -184.421 302.968 -184.42 95.3172 59.5395 302.968 59.538 552.77 GPRESSURE: 3843600 159.687 -133.596 297.186 -101.603 178.593 133.941 139.414 16.3114 479.553 PRESSAVG: 3843600 -3.07825 -24.0541 10.0435 -24.0541 -21.284 2.97624 10.0435 2.97627 34.0918 GPRESSAVG: 3843600 -2.2172 -23.2626 10.039 -24.45 -21.7081 2.65097 7.6662 2.99051 33.3493 TIMING: 3843600 CPU: 12152.8, 0.00314771/step Wall: 12152.8, 0.00314771/step, 1.01111 hours remaining, 238.613281 MB of memory in use. ENERGY: 3843600 3944.0778 20780.6860 14399.7487 245.4113 -203503.4794 2594.9990 0.0000 0.0000 52055.0732 -109483.4835 299.1612 -161538.5567 -109130.2966 299.8293 245.6745 272.6112 760207.8163 3.2432 3.1413 PRESSURE: 3843800 -356.241 -7.80579 112.778 -7.80543 -66.1984 25.928 112.777 25.9279 -414.099 GPRESSURE: 3843800 -379.668 -26.1527 163.327 23.2218 25.9977 -54.6385 14.255 108.245 -393.327 PRESSAVG: 3843800 10.1859 17.7253 50.9145 17.7253 45.0307 38.8975 50.9144 38.8975 -5.79099 GPRESSAVG: 3843800 9.72842 18.3251 50.1023 18.6091 44.8382 36.0957 51.3477 39.2957 -5.27214 TIMING: 3843800 CPU: 12153.4, 0.00315578/step Wall: 12153.4, 0.00315578/step, 1.01353 hours remaining, 238.613281 MB of memory in use. ENERGY: 3843800 4054.2462 20537.5377 14472.9105 244.3625 -203685.8005 2652.1166 0.0000 0.0000 51875.1676 -109849.4594 298.1273 -161724.6270 -109482.4593 299.5145 -278.8459 -248.9992 760515.3358 16.4752 16.4315 PRESSURE: 3844000 -247.003 -73.0595 103.943 -73.0603 52.3051 -116.765 103.942 -116.764 -384.206 GPRESSURE: 3844000 -227.272 -2.56755 128.863 -114.998 87.2415 -55.1296 202.121 26.2619 -363.098 PRESSAVG: 3844000 -17.4137 -23.0195 -13.9017 -23.0195 6.42666 11.9881 -13.9017 11.9881 33.1414 GPRESSAVG: 3844000 -17.2726 -23.4522 -15.2952 -22.9512 6.54199 14.717 -11.7189 13.2153 32.6229 TIMING: 3844000 CPU: 12154.1, 0.00314543/step Wall: 12154.1, 0.00314543/step, 1.01003 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3844000 3942.6959 20725.0395 14451.1261 234.7508 -204102.0547 2683.4716 0.0000 0.0000 52105.6295 -109959.3411 299.4518 -162064.9706 -109603.0500 298.8287 -192.9680 -167.7096 760265.9366 7.3848 7.2974 PRESSURE: 3844200 36.5565 -195.638 14.8916 -195.638 33.2086 -63.8718 14.8907 -63.8723 87.3929 GPRESSURE: 3844200 101.862 -158.068 -44.1 -143.581 76.7992 70.0048 -129.263 -81.4681 64.6714 PRESSAVG: 3844200 15.2988 -25.0217 -36.5945 -25.0218 -30.9248 3.30195 -36.5946 3.30194 9.29225 GPRESSAVG: 3844200 14.458 -27.3884 -35.2525 -24.5852 -30.6265 3.60097 -38.771 1.38615 9.80282 TIMING: 3844200 CPU: 12154.7, 0.00315223/step Wall: 12154.7, 0.00315223/step, 1.01204 hours remaining, 238.613281 MB of memory in use. ENERGY: 3844200 4015.5714 20426.4520 14422.6805 240.5693 -203811.5366 2771.0327 0.0000 0.0000 51941.6308 -109993.5999 298.5093 -161935.2307 -109617.5305 298.8955 52.3860 81.1110 761956.1488 -2.1113 -2.1219 LDB: ============= START OF LOAD BALANCING ============== 12167.1 LDB: ============== END OF LOAD BALANCING =============== 12167.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12167.1 LDB: ============= START OF LOAD BALANCING ============== 12167.4 LDB: Largest compute 7031 load 0.033294 is 17.0% of average load 0.196272 LDB: Average compute 0.004374 is 2.2% of average load 0.196272 LDB: TIME 12167.4 LOAD: AVG 0.196272 MAX 0.216118 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.023 MB LDB: TIME 12167.4 LOAD: AVG 0.196272 MAX 0.216118 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.078 MB LDB: TIME 12167.4 LOAD: AVG 0.196272 MAX 0.216118 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.078 MB LDB: ============== END OF LOAD BALANCING =============== 12167.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12167.4 PRESSURE: 3844400 -224.286 31.7274 -9.13311 31.7276 -300.546 61.008 -9.13354 61.0072 146.268 GPRESSURE: 3844400 -226.292 52.1098 -65.268 21.9652 -264.919 131.148 -31.0717 -4.6054 200.62 PRESSAVG: 3844400 44.2002 -63.9804 20.2615 -63.9804 -24.6632 35.4893 20.2615 35.4892 6.18666 GPRESSAVG: 3844400 43.2079 -62.3931 19.7187 -64.3369 -24.7546 34.5548 21.0654 34.0008 7.74751 TIMING: 3844400 CPU: 12155.3, 0.00320436/step Wall: 12155.3, 0.00320436/step, 1.0286 hours remaining, 238.613281 MB of memory in use. ENERGY: 3844400 4024.3140 20478.8841 14352.3172 256.7225 -203528.8142 2478.8953 0.0000 0.0000 51998.1150 -109939.5660 298.8339 -161937.6810 -109568.4764 298.6586 -126.1878 -96.8637 762820.8694 8.5746 8.7336 PRESSURE: 3844600 -121.213 14.0383 -233.004 14.0378 -582.602 205.044 -233.003 205.043 -495.497 GPRESSURE: 3844600 -126.133 -71.9529 -111.979 117.197 -557.229 123.12 -36.2621 229.835 -428.788 PRESSAVG: 3844600 19.0965 -47.2261 25.4135 -47.2261 2.19041 19.3287 25.4134 19.3287 9.91103 GPRESSAVG: 3844600 19.7109 -48.1169 26.6091 -45.9813 1.55358 18.8168 23.8706 19.3201 9.73457 TIMING: 3844600 CPU: 12156, 0.0031335/step Wall: 12156, 0.0031335/step, 1.00568 hours remaining, 238.613281 MB of memory in use. ENERGY: 3844600 4016.1815 20639.7440 14371.7640 242.4148 -203307.6955 2417.4741 0.0000 0.0000 51854.0869 -109766.0301 298.0062 -161620.1171 -109395.4393 299.1973 -399.7707 -370.7166 762486.9200 10.3993 10.3330 PRESSURE: 3844800 285.724 -227.165 109.13 -227.165 -197.158 9.13721 109.13 9.13675 -381.162 GPRESSURE: 3844800 224.087 -107.898 55.6562 -209.722 -155.982 100.13 103.858 96.3968 -280.986 PRESSAVG: 3844800 38.8558 -16.7141 16.8024 -16.7141 -51.5576 -28.8111 16.8024 -28.8112 1.87737 GPRESSAVG: 3844800 38.5391 -16.1065 17.1068 -14.9066 -50.6627 -28.4166 19.2293 -27.6985 1.37449 TIMING: 3844800 CPU: 12156.6, 0.00314593/step Wall: 12156.6, 0.00314593/step, 1.00949 hours remaining, 238.613281 MB of memory in use. ENERGY: 3844800 4023.6815 20735.1169 14383.4473 248.5713 -203797.8719 2665.4091 0.0000 0.0000 51852.0399 -109889.6059 297.9944 -161741.6458 -109533.2812 299.2238 -97.5321 -70.9603 759988.6918 -3.6081 -3.5830 PRESSURE: 3845000 -149.467 -162.224 98.7094 -162.224 13.9774 -35.261 98.7089 -35.2607 -387.886 GPRESSURE: 3845000 -74.5385 -162.872 122.201 -60.8573 -24.8784 -61.6821 146.737 -53.339 -323.91 PRESSAVG: 3845000 -5.75824 -61.6638 80.0619 -61.6638 42.9945 24.9104 80.0619 24.9103 5.23221 GPRESSAVG: 3845000 -5.34358 -61.3138 78.6577 -64.2176 42.5136 25.282 79.8594 26.0903 4.63212 TIMING: 3845000 CPU: 12157.2, 0.00314754/step Wall: 12157.2, 0.00314754/step, 1.00984 hours remaining, 238.613281 MB of memory in use. ENERGY: 3845000 4001.9128 20385.9205 14399.4090 247.1958 -203369.0250 2470.4108 0.0000 0.0000 51942.9445 -109921.2316 298.5168 -161864.1760 -109552.2797 298.6071 -174.4585 -141.1090 761057.1246 14.1562 13.9340 PRESSURE: 3845200 157.327 31.4389 -25.1199 31.4389 -350.893 -169.61 -25.1187 -169.61 -409.598 GPRESSURE: 3845200 109.529 68.515 -43.9738 16.379 -221.002 -156.495 90.8477 -196.059 -423.32 PRESSAVG: 3845200 31.6414 -14.0824 57.8046 -14.0824 -7.95042 87.6052 57.8046 87.6052 17.9657 GPRESSAVG: 3845200 32.3894 -14.8638 58.4229 -13.4138 -7.4358 87.1692 59.0012 85.3652 16.8952 TIMING: 3845200 CPU: 12157.9, 0.00313329/step Wall: 12157.9, 0.00313329/step, 1.00509 hours remaining, 238.613281 MB of memory in use. ENERGY: 3845200 4014.4201 20516.8483 14353.2901 257.3061 -203696.0092 2822.2997 0.0000 0.0000 51971.5400 -109760.3047 298.6812 -161731.8447 -109397.0070 298.6297 -201.0546 -178.2643 760617.2350 13.8856 13.9496 PRESSURE: 3845400 -0.420903 -80.0249 191.724 -80.0252 -171.641 71.944 191.724 71.9443 531.215 GPRESSURE: 3845400 54.4849 71.8408 149.251 -161.584 -113.639 17.8994 121.266 81.7766 504.287 PRESSAVG: 3845400 -5.80441 -27.4572 38.0097 -27.4572 -6.92547 -44.3746 38.0096 -44.3746 -3.68712 GPRESSAVG: 3845400 -6.46017 -25.3746 39.0351 -28.0213 -7.73681 -44.4847 37.5655 -43.6192 -2.06647 TIMING: 3845400 CPU: 12158.5, 0.00315104/step Wall: 12158.5, 0.00315104/step, 1.01061 hours remaining, 238.613281 MB of memory in use. ENERGY: 3845400 3942.2890 20541.7931 14341.4777 247.2448 -203957.3451 2882.3687 0.0000 0.0000 52153.2436 -109848.9283 299.7254 -162002.1718 -109485.6079 298.9739 119.7176 148.3776 759614.2678 -5.4723 -5.4212 PRESSURE: 3845600 219.714 -115.691 18.128 -115.691 183.6 -84.1446 18.1287 -84.1446 -232.877 GPRESSURE: 3845600 188.033 -14.8008 -56.8219 -102.107 289.165 -123.559 69.2008 -153.317 -238.101 PRESSAVG: 3845600 52.3315 23.2082 -9.49155 23.2082 -44.2973 35.5459 -9.49153 35.5457 16.3215 GPRESSAVG: 3845600 52.2031 19.9465 -10.8445 24.9476 -43.3777 34.2991 -9.96137 35.6496 15.6593 TIMING: 3845600 CPU: 12159.1, 0.00312795/step Wall: 12159.1, 0.00312795/step, 1.00303 hours remaining, 238.613281 MB of memory in use. ENERGY: 3845600 3895.9787 20694.9358 14401.0484 239.3518 -203484.6311 2533.0718 0.0000 0.0000 51969.4113 -109750.8333 298.6689 -161720.2447 -109375.9378 298.6984 56.8124 79.6989 759296.9503 8.1186 8.1616 PRESSURE: 3845800 -224.049 -141.34 -122.641 -141.34 -250.882 -20.4165 -122.642 -20.417 -205.459 GPRESSURE: 3845800 -280.61 -107.813 -107.624 -135.867 -160.274 3.26348 -101.873 35.3941 -159.146 PRESSAVG: 3845800 50.4426 34.3901 2.43113 34.3901 -49.9764 -11.2638 2.43109 -11.2637 -16.9441 GPRESSAVG: 3845800 49.8368 36.1632 3.37314 33.3903 -50.5891 -9.02501 2.13437 -10.4785 -15.8212 TIMING: 3845800 CPU: 12159.7, 0.00313629/step Wall: 12159.7, 0.00313629/step, 1.00553 hours remaining, 238.613281 MB of memory in use. ENERGY: 3845800 4062.0181 20728.1487 14362.1689 247.6893 -203298.4670 2282.0822 0.0000 0.0000 51880.2028 -109736.1570 298.1562 -161616.3599 -109383.5975 298.5670 -226.7968 -200.0098 760884.0936 -5.4926 -5.5245 PRESSURE: 3846000 99.152 -194.316 206.05 -194.315 237.523 28.3123 206.049 28.3123 152.841 GPRESSURE: 3846000 156.833 -66.5846 200.07 -32.4072 208.719 27.4288 133.734 169.423 221.372 PRESSAVG: 3846000 3.04653 -15.9614 10.8375 -15.9614 35.7329 22.7762 10.8375 22.776 5.78542 GPRESSAVG: 3846000 4.80126 -17.3997 11.9523 -15.241 35.0112 22.4113 11.7803 23.9599 4.81608 TIMING: 3846000 CPU: 12160.4, 0.00314479/step Wall: 12160.4, 0.00314479/step, 1.00808 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3846000 4006.5635 20584.0368 14390.2794 268.3403 -203633.1114 2786.5129 0.0000 0.0000 51860.3416 -109737.0370 298.0421 -161597.3786 -109374.9187 298.9543 163.1718 195.6414 759627.1503 14.8549 14.8762 PRESSURE: 3846200 -397.629 -49.09 -82.5988 -49.0893 341.178 -17.5293 -82.5996 -17.5302 346.437 GPRESSURE: 3846200 -353.866 -74.306 -126.398 -18.0342 293.123 6.87105 -6.80641 -54.2728 442.722 PRESSAVG: 3846200 -41.247 -36.2347 5.4313 -36.2346 32.9182 -33.5798 5.43132 -33.5797 19.6628 GPRESSAVG: 3846200 -42.6805 -34.6401 3.27619 -37.891 34.2904 -31.9479 4.95149 -35.3239 19.8725 TIMING: 3846200 CPU: 12161, 0.00315886/step Wall: 12161, 0.00315887/step, 1.01242 hours remaining, 238.613281 MB of memory in use. ENERGY: 3846200 3963.8168 20700.0250 14377.2707 232.0563 -203870.2325 2785.3349 0.0000 0.0000 52136.5842 -109675.1446 299.6297 -161811.7287 -109320.2515 299.2412 96.6622 127.3263 759383.6562 3.7780 3.8275 PRESSURE: 3846400 -443.206 -223.451 -172.037 -223.451 -262.442 -13.4514 -172.037 -13.4503 160.093 GPRESSURE: 3846400 -341.475 -257.353 -284.887 -291.575 -137.065 -60.5787 -4.42551 30.6397 52.4111 PRESSAVG: 3846400 -10.5298 -9.11495 27.3241 -9.11499 11.1519 19.9506 27.3241 19.9505 4.01341 GPRESSAVG: 3846400 -9.36612 -8.52122 27.7012 -9.26528 10.2103 17.2832 27.8916 20.8567 3.39981 TIMING: 3846400 CPU: 12161.6, 0.00316448/step Wall: 12161.6, 0.00316448/step, 1.01404 hours remaining, 238.613281 MB of memory in use. ENERGY: 3846400 4083.0014 20351.3265 14416.8882 238.0022 -203402.4828 2639.2017 0.0000 0.0000 52195.9568 -109478.1059 299.9709 -161674.0627 -109114.9045 299.5456 -181.8515 -142.0430 760632.7171 1.5452 1.4147 PRESSURE: 3846600 -226.801 59.9358 123.201 59.9352 146.777 30.8927 123.202 30.8937 625.265 GPRESSURE: 3846600 -161.199 151.073 192.155 127.976 203.38 9.60702 168.869 14.082 583.149 PRESSAVG: 3846600 -62.702 25.1217 -1.1765 25.1217 37.7028 -11.6652 -1.17644 -11.6653 -13.8882 GPRESSAVG: 3846600 -62.6787 24.8153 0.261981 27.395 37.3737 -11.0055 -2.53103 -14.2304 -13.4511 TIMING: 3846600 CPU: 12162.3, 0.00313941/step Wall: 12162.3, 0.00313941/step, 1.00583 hours remaining, 238.613281 MB of memory in use. ENERGY: 3846600 4018.4334 20415.3223 14428.7190 242.1721 -203859.7584 2971.5311 0.0000 0.0000 52084.6044 -109698.9760 299.3309 -161783.5805 -109335.2056 299.4053 181.7470 208.4437 760461.3848 -12.9625 -12.9187 PRESSURE: 3846800 -207.233 -258.508 -16.8908 -258.508 -96.0187 -187.923 -16.8904 -187.922 226.197 GPRESSURE: 3846800 -210.744 -228.091 97.2971 -71.1979 39.6676 -145.186 -62.4082 -264.94 185.409 PRESSAVG: 3846800 -9.8473 -41.0884 10.2746 -41.0884 -39.1359 1.49336 10.2746 1.49335 22.8294 GPRESSAVG: 3846800 -10.5775 -41.3552 8.89079 -41.2385 -37.3189 2.24069 10.2143 0.583759 22.2139 TIMING: 3846800 CPU: 12162.9, 0.00315245/step Wall: 12162.9, 0.00315245/step, 1.00983 hours remaining, 238.613281 MB of memory in use. ENERGY: 3846800 4020.2579 20523.2202 14398.2279 265.6187 -203587.0304 2756.7986 0.0000 0.0000 51829.6580 -109793.2490 297.8658 -161622.9070 -109432.7405 298.8483 -25.6848 4.7774 761147.9508 -8.7179 -8.5608 PRESSURE: 3847000 -231.823 -17.4112 178.109 -17.4113 31.5604 -65.6338 178.108 -65.6338 -193.796 GPRESSURE: 3847000 -198.96 -11.8337 162.952 107.672 51.7655 -62.937 108.683 -78.1814 -174.544 PRESSAVG: 3847000 -15.4036 -4.86029 -29.288 -4.86026 11.9482 -49.3432 -29.288 -49.3432 -7.54467 GPRESSAVG: 3847000 -15.6046 -6.99965 -30.1877 -4.01457 12.1906 -49.9075 -27.7958 -48.2215 -7.41592 TIMING: 3847000 CPU: 12163.5, 0.0031462/step Wall: 12163.5, 0.0031462/step, 1.00766 hours remaining, 238.613281 MB of memory in use. ENERGY: 3847000 4014.2012 20637.4383 14338.2211 268.1165 -203438.9729 2436.7627 0.0000 0.0000 52068.4114 -109675.8215 299.2379 -161744.2329 -109315.4306 298.5006 -131.3532 -107.2464 761298.6228 -3.6667 -3.6100 PRESSURE: 3847200 266.135 61.5038 -395.661 61.5041 -90.9058 71.113 -395.661 71.113 544.681 GPRESSURE: 3847200 234.563 131.096 -409.198 75.2479 4.54861 92.3406 -354.642 151.681 556.274 PRESSAVG: 3847200 -18.6543 -23.6683 -9.36918 -23.6683 22.4893 -10.9584 -9.36924 -10.9584 21.7381 GPRESSAVG: 3847200 -18.0773 -20.3286 -8.30437 -24.91 21.7928 -10.5646 -9.50736 -8.05168 22.8945 TIMING: 3847200 CPU: 12164.1, 0.00315556/step Wall: 12164.1, 0.00315556/step, 1.01048 hours remaining, 238.613281 MB of memory in use. ENERGY: 3847200 3922.0505 20571.6871 14456.0004 236.7745 -203899.2079 3105.9139 0.0000 0.0000 51881.9850 -109724.7965 298.1665 -161606.7815 -109376.0765 298.9282 239.9698 265.1283 760395.7468 8.5244 8.8700 PRESSURE: 3847400 -340.365 -51.8498 96.7812 -51.8488 -219.182 -113.798 96.7807 -113.798 -157.205 GPRESSURE: 3847400 -278.144 -50.9115 78.2599 -31.8617 -299.071 -57.9832 124.652 -193.682 -82.3654 PRESSAVG: 3847400 -1.71958 -0.0660084 -2.81454 -0.0659702 44.3113 3.71564 -2.81455 3.71575 3.3449 GPRESSAVG: 3847400 -2.02804 0.837039 -4.15187 0.649519 44.9921 3.6638 -2.46469 2.93881 2.85407 TIMING: 3847400 CPU: 12164.8, 0.00315805/step Wall: 12164.8, 0.00315805/step, 1.0111 hours remaining, 238.613281 MB of memory in use. ENERGY: 3847400 3970.8908 20407.9308 14425.5059 252.2644 -203386.0391 2428.4127 0.0000 0.0000 52164.1923 -109736.8421 299.7883 -161901.0345 -109387.3526 298.9326 -238.9175 -219.8598 759234.0791 15.3122 15.2727 PRESSURE: 3847600 204.126 12.8794 56.3284 12.8795 -417.389 84.7903 56.3284 84.7892 393.018 GPRESSURE: 3847600 275.898 9.39168 98.7618 67.4234 -314.378 159.659 125.045 -22.5699 287.855 PRESSAVG: 3847600 27.5558 -6.23128 -8.80679 -6.23126 -11.8948 -34.7234 -8.80673 -34.7234 3.61828 GPRESSAVG: 3847600 28.5073 -10.1165 -7.53459 -7.3883 -12.3364 -35.7087 -8.8268 -33.4419 2.89574 TIMING: 3847600 CPU: 12165.4, 0.00315036/step Wall: 12165.4, 0.00315036/step, 1.00847 hours remaining, 238.613281 MB of memory in use. ENERGY: 3847600 4020.0366 20783.1683 14429.4135 247.7947 -203567.6713 2504.1754 0.0000 0.0000 51876.8087 -109706.2740 298.1367 -161583.0827 -109356.4901 298.8020 59.9184 83.1251 758755.4869 6.4264 6.3555 PRESSURE: 3847800 311.152 114.078 67.4027 114.078 262.842 -2.49112 67.403 -2.49045 -276.861 GPRESSURE: 3847800 327.185 70.0475 83.4868 45.3267 272.76 67.5227 173.98 -37.5168 -221.666 PRESSAVG: 3847800 70.5502 -1.21014 17.6596 -1.21022 -19.8602 -16.9545 17.6596 -16.9545 -9.76186 GPRESSAVG: 3847800 69.2863 -0.837004 16.5686 -0.0371538 -19.8877 -15.3168 16.3392 -18.6616 -9.1342 TIMING: 3847800 CPU: 12166, 0.00312468/step Wall: 12166, 0.00312468/step, 1.00007 hours remaining, 238.613281 MB of memory in use. ENERGY: 3847800 4001.0214 20651.2894 14433.8905 238.3219 -203701.4363 2897.0266 0.0000 0.0000 51696.8172 -109783.0693 297.1023 -161479.8864 -109434.5504 298.7849 99.0445 126.0929 761380.7172 13.6427 13.4215 PRESSURE: 3848000 -66.7198 -2.06298 -66.6581 -2.06425 189.251 -28.3521 -66.6576 -28.3518 275.034 GPRESSURE: 3848000 -1.682 70.8666 -151.302 -21.2454 145.871 -16.3416 68.4931 -124.777 343.082 PRESSAVG: 3848000 13.7053 -1.33541 -9.51349 -1.33543 -43.219 -3.92831 -9.51353 -3.9283 15.1404 GPRESSAVG: 3848000 14.3142 1.16232 -9.72523 -2.81073 -42.5076 -3.68608 -7.05124 -3.53691 14.388 TIMING: 3848000 CPU: 12166.7, 0.00312313/step Wall: 12166.7, 0.00312313/step, 0.999402 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3848000 4043.7027 20425.8396 14473.0189 237.6733 -203854.6571 2889.4615 0.0000 0.0000 51897.1342 -109887.8271 298.2535 -161784.9613 -109539.9676 298.3325 132.5220 162.4238 761360.7414 -4.7911 -4.6018 PRESSURE: 3848200 40.0477 115.991 223.118 115.99 136.254 153.409 223.118 153.409 -102.827 GPRESSURE: 3848200 134.608 136.385 131.467 110.27 138.655 138.453 39.663 108.772 -119.966 PRESSAVG: 3848200 5.37575 33.5908 -23.2174 33.5908 -21.1307 -8.05226 -23.2174 -8.05225 19.8189 GPRESSAVG: 3848200 5.9563 33.2692 -23.8991 32.1929 -22.3175 -8.24695 -24.9643 -9.61432 20.0311 TIMING: 3848200 CPU: 12167.3, 0.00312788/step Wall: 12167.3, 0.00312788/step, 1.00075 hours remaining, 238.613281 MB of memory in use. ENERGY: 3848200 4058.6766 20489.5911 14418.0977 241.6841 -203321.9005 2514.0504 0.0000 0.0000 51753.2733 -109846.5273 297.4268 -161599.8006 -109492.6701 298.2600 24.4915 51.0989 761010.2351 1.3546 1.2233 LDB: ============= START OF LOAD BALANCING ============== 12179.7 LDB: ============== END OF LOAD BALANCING =============== 12179.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12179.7 LDB: ============= START OF LOAD BALANCING ============== 12180 LDB: Largest compute 7056 load 0.032220 is 16.4% of average load 0.196105 LDB: Average compute 0.004374 is 2.2% of average load 0.196105 LDB: TIME 12180 LOAD: AVG 0.196105 MAX 0.216899 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 12180 LOAD: AVG 0.196105 MAX 0.216899 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: TIME 12180 LOAD: AVG 0.196105 MAX 0.216899 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: ============== END OF LOAD BALANCING =============== 12180 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12180 PRESSURE: 3848400 -219.936 -147.504 54.1592 -147.504 111.286 -153.957 54.1587 -153.957 -353.017 GPRESSURE: 3848400 -264.659 -160.684 124.073 -207.268 132.593 -94.3949 49.4602 -149.045 -225.654 PRESSAVG: 3848400 -6.16274 8.25804 -24.8392 8.25808 -15.6773 -50.5802 -24.8393 -50.5802 -6.34085 GPRESSAVG: 3848400 -7.8128 7.62496 -24.3517 10.3688 -14.3514 -49.4296 -26.0932 -49.8989 -6.65512 TIMING: 3848400 CPU: 12167.9, 0.00322364/step Wall: 12167.9, 0.00322364/step, 1.03121 hours remaining, 237.902344 MB of memory in use. ENERGY: 3848400 4062.1815 20501.8364 14413.4696 233.3452 -203665.0922 2570.0412 0.0000 0.0000 51932.8830 -109951.3353 298.4590 -161884.2183 -109596.9098 298.5579 -153.8889 -119.2401 761239.5153 -9.3936 -9.6064 PRESSURE: 3848600 98.3022 -32.4421 -118.895 -32.4426 -83.1412 344.054 -118.895 344.056 263.27 GPRESSURE: 3848600 166.238 39.9138 -85.9959 -17.2639 -31.6677 300.214 -87.3408 314.873 224.626 PRESSAVG: 3848600 18.5975 24.1404 -54.1218 24.1405 -46.1108 -5.93741 -54.1218 -5.93751 16.2442 GPRESSAVG: 3848600 19.0984 25.1614 -55.1314 25.6607 -47.046 -7.43083 -52.4863 -7.95366 16.2673 TIMING: 3848600 CPU: 12168.6, 0.00314813/step Wall: 12168.6, 0.00314813/step, 1.00688 hours remaining, 237.902344 MB of memory in use. ENERGY: 3848600 4026.3494 20404.3990 14366.1395 221.7815 -203481.5807 2577.8952 0.0000 0.0000 52073.0663 -109811.9497 299.2646 -161885.0160 -109448.2059 298.3140 92.8105 119.7321 760234.5367 -3.7564 -3.8934 PRESSURE: 3848800 -28.8895 70.8631 -80.7272 70.8618 74.123 -22.638 -80.7274 -22.6393 -82.8127 GPRESSURE: 3848800 30.9131 128.362 -91.8017 25.6756 148.563 -19.0629 -131.289 -33.0216 -152.55 PRESSAVG: 3848800 3.15949 0.16171 -45.2291 0.161704 -11.4346 -13.9563 -45.2292 -13.9564 -5.79423 GPRESSAVG: 3848800 2.9306 -2.6311 -44.3914 -1.07424 -11.6875 -13.3539 -45.1024 -11.3561 -5.15622 TIMING: 3848800 CPU: 12169.2, 0.00316789/step Wall: 12169.2, 0.00316789/step, 1.01302 hours remaining, 237.902344 MB of memory in use. ENERGY: 3848800 4034.8494 20371.9810 14461.3973 237.3085 -203671.7308 2614.0372 0.0000 0.0000 52058.1586 -109893.9987 299.1790 -161952.1574 -109530.3912 298.6897 -12.5264 8.9752 760240.8549 -4.6898 -4.6377 PRESSURE: 3849000 25.4924 83.1776 -11.3813 83.178 2.49069 68.1781 -11.3805 68.1786 -28.2641 GPRESSURE: 3849000 20.8106 -7.67759 57.7577 94.2607 6.01996 53.3435 -56.2836 -77.582 36.4934 PRESSAVG: 3849000 7.49016 -58.3873 -18.3299 -58.3873 25.9314 -4.59771 -18.3299 -4.59773 1.79916 GPRESSAVG: 3849000 8.40444 -58.5231 -17.5254 -58.004 26.7889 -4.78979 -19.9323 -6.42231 0.169648 TIMING: 3849000 CPU: 12169.8, 0.00316789/step Wall: 12169.8, 0.00316789/step, 1.01284 hours remaining, 237.902344 MB of memory in use. ENERGY: 3849000 4016.9448 20475.1013 14483.6176 242.1446 -203962.5840 2858.9907 0.0000 0.0000 52114.1835 -109771.6016 299.5009 -161885.7851 -109397.0768 299.0920 -0.0937 21.1080 758859.1360 11.7402 11.7877 PRESSURE: 3849200 17.9841 137.936 75.7615 137.935 167.823 -54.4023 75.7617 -54.4009 243.034 GPRESSURE: 3849200 138.819 114.864 123.881 3.07987 176.379 -94.3901 94.87 -81.3436 203.649 PRESSAVG: 3849200 2.15441 -67.1953 -29.1073 -67.1954 -35.3942 5.3494 -29.1073 5.34938 19.8817 GPRESSAVG: 3849200 1.54298 -64.5754 -28.9224 -68.7814 -35.6617 6.16301 -28.3923 7.45616 20.4325 TIMING: 3849200 CPU: 12170.5, 0.00317479/step Wall: 12170.5, 0.00317479/step, 1.01487 hours remaining, 237.902344 MB of memory in use. ENERGY: 3849200 3904.3949 20457.1318 14435.7911 256.7493 -203414.9800 2522.9904 0.0000 0.0000 52028.2559 -109809.6664 299.0071 -161837.9223 -109459.1397 298.8717 142.9469 172.9493 759637.8055 -4.4527 -4.5621 PRESSURE: 3849400 -108.081 78.7553 -27.7155 78.7554 61.3281 -58.177 -27.7165 -58.1783 -96.8591 GPRESSURE: 3849400 -32.128 119.093 12.637 59.7395 47.4987 -18.6541 -26.7335 -30.1097 -70.7588 PRESSAVG: 3849400 -6.66857 7.65052 25.4366 7.65054 52.5375 -18.1446 25.4365 -18.1446 -13.1984 GPRESSAVG: 3849400 -5.8968 5.36388 24.4427 8.59912 51.5089 -19.1838 25.637 -18.1287 -13.0622 TIMING: 3849400 CPU: 12171.1, 0.00318361/step Wall: 12171.1, 0.00318361/step, 1.01752 hours remaining, 237.902344 MB of memory in use. ENERGY: 3849400 3984.2340 20349.1447 14341.9381 243.3950 -203467.7096 2465.7364 0.0000 0.0000 51998.5996 -110084.6618 298.8367 -162083.2614 -109718.8406 298.8214 -47.8708 -18.4627 760062.8425 10.8902 10.8499 PRESSURE: 3849600 -60.9243 -24.3366 -77.1446 -24.3364 -434.469 319.861 -77.144 319.861 238.888 GPRESSURE: 3849600 -73.6385 -181.823 -143.636 42.6553 -328.332 288.924 -95.1995 145.701 240.372 PRESSAVG: 3849600 -60.2235 1.81712 -25.6999 1.81717 38.3345 38.0814 -25.7 38.0814 9.03816 GPRESSAVG: 3849600 -61.2515 4.56908 -25.6832 0.610789 39.9121 39.7645 -22.512 35.8409 8.43024 TIMING: 3849600 CPU: 12171.7, 0.00314335/step Wall: 12171.7, 0.00314334/step, 1.00447 hours remaining, 237.902344 MB of memory in use. ENERGY: 3849600 4019.0401 20304.4936 14390.7874 240.9647 -203621.0231 2464.5974 0.0000 0.0000 52098.9194 -110102.2203 299.4132 -162201.1397 -109733.3492 298.7108 -85.5020 -53.8662 760119.9094 -4.2836 -4.3031 PRESSURE: 3849800 -142.675 -52.676 155.504 -52.6761 86.5408 -113.598 155.503 -113.598 -541.765 GPRESSURE: 3849800 -64.5737 -86.7209 152.234 -84.1784 91.3782 -204.997 108.544 2.36304 -541.143 PRESSAVG: 3849800 -37.8205 -13.1066 -17.4497 -13.1067 22.6369 4.07625 -17.4496 4.07627 16.1329 GPRESSAVG: 3849800 -37.5979 -13.4287 -15.9217 -11.6972 22.3614 2.76519 -20.7708 6.81743 16.1026 TIMING: 3849800 CPU: 12172.4, 0.00315634/step Wall: 12172.4, 0.00315634/step, 1.00845 hours remaining, 237.902344 MB of memory in use. ENERGY: 3849800 3972.6455 20549.7691 14386.0162 255.0936 -203220.6882 2212.7291 0.0000 0.0000 51805.6581 -110038.7765 297.7278 -161844.4346 -109677.9923 298.2208 -199.3000 -171.4463 761111.0054 0.3164 0.2887 PRESSURE: 3850000 -224.288 70.2491 -104.613 70.2494 215.201 -147.963 -104.613 -147.963 -231.503 GPRESSURE: 3850000 -229.582 138.09 -156.615 80.9743 246.958 -242.398 -70.0081 -134.706 -194.382 PRESSAVG: 3850000 36.9235 31.5878 -31.0431 31.5879 -11.2348 -3.89275 -31.0431 -3.89278 8.85318 GPRESSAVG: 3850000 36.7289 31.1075 -31.6394 31.7809 -11.5964 -5.02684 -31.6155 -5.17651 9.2047 TIMING: 3850000 CPU: 12173, 0.00316973/step Wall: 12173, 0.00316973/step, 1.01255 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3850000 3915.8311 20540.2698 14334.2491 227.5977 -203957.6953 2679.3758 0.0000 0.0000 52236.5288 -110023.8431 300.2040 -162260.3719 -109663.0829 298.2689 -80.1966 -59.0022 761348.9182 11.5140 11.4458 PRESSURE: 3850200 -313.422 -70.5658 -150.189 -70.5651 -29.2184 -221.74 -150.189 -221.74 173.553 GPRESSURE: 3850200 -172.756 -119.048 -142.528 -53.6669 -59.4929 -243.128 -254.969 -269.17 159.263 PRESSAVG: 3850200 3.09397 5.53511 -11.6426 5.53511 33.8539 5.79278 -11.6426 5.79277 4.08155 GPRESSAVG: 3850200 4.58929 5.91338 -12.7452 5.26423 33.3173 5.44301 -10.0403 5.17667 3.30725 TIMING: 3850200 CPU: 12173.6, 0.00315623/step Wall: 12173.6, 0.00315623/step, 1.00806 hours remaining, 237.902344 MB of memory in use. ENERGY: 3850200 3990.2185 20533.5225 14404.2870 238.5378 -203803.9227 2639.7314 0.0000 0.0000 51983.8262 -110013.7993 298.7518 -161997.6255 -109654.9670 298.6127 -56.3626 -24.3286 760467.0347 13.6765 13.7379 PRESSURE: 3850400 -107.843 -184.095 211.192 -184.095 -5.17964 47.26 211.192 47.2604 347.439 GPRESSURE: 3850400 8.71449 -99.4093 245.551 -255.487 -28.7072 66.5422 195.675 -59.8273 325.769 PRESSAVG: 3850400 6.58623 -33.9185 16.6491 -33.9186 -1.6639 -10.209 16.6492 -10.209 0.0564441 GPRESSAVG: 3850400 6.07783 -32.8592 17.8629 -33.3811 -0.774537 -8.51841 12.8146 -10.4105 0.0121725 TIMING: 3850400 CPU: 12174.3, 0.00315601/step Wall: 12174.3, 0.00315601/step, 1.00782 hours remaining, 237.902344 MB of memory in use. ENERGY: 3850400 3997.3685 20427.8492 14396.6709 232.9359 -203814.5380 2676.7541 0.0000 0.0000 51863.4351 -110219.5244 298.0599 -162082.9594 -109856.2104 298.2497 78.1387 101.9254 760201.8410 1.6596 1.7718 PRESSURE: 3850600 69.6435 -61.4011 -266.236 -61.4007 -273.719 -32.6623 -266.236 -32.6626 230.523 GPRESSURE: 3850600 66.294 65.9327 -154.45 37.1691 -144.95 -8.55187 -211.959 -26.6247 183.472 PRESSAVG: 3850600 10.0948 17.1081 29.4757 17.1081 -21.5223 -7.1093 29.4757 -7.10933 -0.828955 GPRESSAVG: 3850600 9.13853 16.3241 29.3301 18.7611 -22.3013 -4.56852 30.4979 -5.34413 0.571485 TIMING: 3850600 CPU: 12174.9, 0.00317342/step Wall: 12174.9, 0.00317342/step, 1.0132 hours remaining, 237.902344 MB of memory in use. ENERGY: 3850600 3972.3629 20502.0741 14327.0398 253.8439 -203192.0662 2292.8067 0.0000 0.0000 51848.7176 -109995.2211 297.9753 -161843.9387 -109630.1011 298.4322 8.8160 34.9389 761213.3720 -4.0855 -4.1971 PRESSURE: 3850800 139.513 223.1 95.1757 223.101 97.8121 -125.81 95.1747 -125.81 242.562 GPRESSURE: 3850800 134.229 189.261 164.097 239.379 137.908 -111.343 107.153 -43.521 301.928 PRESSAVG: 3850800 5.2022 42.5957 18.772 42.5958 5.7764 1.30818 18.772 1.30819 -9.64823 GPRESSAVG: 3850800 6.23795 43.3368 19.49 40.1514 6.40312 -0.923267 20.1705 0.699618 -10.8547 TIMING: 3850800 CPU: 12175.5, 0.00316563/step Wall: 12175.5, 0.00316563/step, 1.01054 hours remaining, 237.902344 MB of memory in use. ENERGY: 3850800 3945.7249 20419.8953 14351.3590 255.7837 -204090.0971 3113.6177 0.0000 0.0000 51994.4461 -110009.2704 298.8128 -162003.7164 -109652.7378 298.1982 159.9624 191.3547 759741.0981 0.4435 0.5955 PRESSURE: 3851000 -568.832 -182.895 122.252 -182.896 -172.273 150.342 122.252 150.342 346.57 GPRESSURE: 3851000 -437.02 -181.382 48.4355 -176.458 -179.484 72.8546 152.952 168.092 302.824 PRESSAVG: 3851000 15.3271 15.0972 10.3788 15.0973 -16.9401 -6.06917 10.3788 -6.06913 2.50148 GPRESSAVG: 3851000 15.8536 13.961 10.374 17.2372 -17.3419 -6.19476 9.94687 -3.06461 2.59925 TIMING: 3851000 CPU: 12176.2, 0.00315641/step Wall: 12176.2, 0.00315641/step, 1.00742 hours remaining, 237.902344 MB of memory in use. ENERGY: 3851000 4090.2068 20523.1379 14333.8551 250.7276 -203558.0254 2490.6428 0.0000 0.0000 52189.9985 -109679.4566 299.9366 -161869.4551 -109311.6052 298.6900 -131.5115 -104.5597 759146.0359 0.2962 0.3703 PRESSURE: 3851200 -155.046 104.489 -25.9333 104.488 -225.042 247.399 -25.9328 247.399 257.93 GPRESSURE: 3851200 -51.3525 67.1154 35.5109 98.943 -253.188 255.345 -57.8354 184.801 284.62 PRESSAVG: 3851200 90.243 45.0724 -8.85466 45.0724 -35.4345 2.16837 -8.85466 2.16835 6.89085 GPRESSAVG: 3851200 90.4974 46.1562 -8.9783 44.694 -36.0269 2.98379 -8.10651 0.0787289 7.21643 TIMING: 3851200 CPU: 12176.8, 0.00316447/step Wall: 12176.8, 0.00316447/step, 1.00982 hours remaining, 237.902344 MB of memory in use. ENERGY: 3851200 4062.6395 20479.7121 14323.8881 243.2988 -203803.0633 2792.1168 0.0000 0.0000 52244.2423 -109657.1658 300.2484 -161901.4080 -109285.3084 299.4440 -40.7193 -6.6401 761319.8690 20.5664 20.5623 PRESSURE: 3851400 -401.143 -87.582 -23.3343 -87.5821 -9.94933 -64.9014 -23.3337 -64.9005 -561.775 GPRESSURE: 3851400 -266.95 -40.8105 -49.3826 -184.997 -28.1689 17.3782 0.843139 -121.963 -588.038 PRESSAVG: 3851400 53.9811 -38.7835 18.5505 -38.7835 -8.54029 45.4494 18.5505 45.4494 -2.74877 GPRESSAVG: 3851400 53.9172 -40.1577 17.0286 -40.0538 -8.29683 47.4791 20.2626 44.4059 -3.25954 TIMING: 3851400 CPU: 12177.4, 0.00314803/step Wall: 12177.4, 0.00314803/step, 1.0044 hours remaining, 237.902344 MB of memory in use. ENERGY: 3851400 3987.8271 20499.8155 14356.7322 235.4201 -202856.7630 2155.2992 0.0000 0.0000 51884.9330 -109736.7358 298.1834 -161621.6688 -109367.2501 299.2122 -324.2892 -294.3859 761266.4524 14.2307 14.1203 PRESSURE: 3851600 -126.928 28.6296 -21.299 28.6303 354.803 349.975 -21.2992 349.975 -30.9964 GPRESSURE: 3851600 -102.251 0.749625 -9.60175 76.6967 425.148 348.622 36.7737 199.587 -42.7234 PRESSAVG: 3851600 -34.384 -13.856 18.0824 -13.856 -30.3458 -38.5684 18.0824 -38.5683 -6.38667 GPRESSAVG: 3851600 -35.5815 -14.7079 18.6749 -12.9623 -30.4237 -40.4046 15.4941 -38.479 -4.80172 TIMING: 3851600 CPU: 12178, 0.00316209/step Wall: 12178, 0.00316209/step, 1.00871 hours remaining, 237.902344 MB of memory in use. ENERGY: 3851600 4046.1107 20647.0871 14302.8396 249.6484 -203384.7902 2400.1576 0.0000 0.0000 51989.0200 -109749.9268 298.7816 -161738.9468 -109396.9697 298.9117 65.6263 93.3913 761275.4917 -23.7055 -23.6023 PRESSURE: 3851800 -9.26549 -80.5207 104.008 -80.5209 -296.291 -140.928 104.008 -140.927 135.824 GPRESSURE: 3851800 -26.0228 -95.3528 148.768 -18.7485 -186.757 -186.644 152.961 -30.9454 140.011 PRESSAVG: 3851800 22.8345 -39.1564 16.5886 -39.1564 -37.9003 17.211 16.5886 17.2111 25.0492 GPRESSAVG: 3851800 23.013 -38.7543 18.3293 -39.1843 -36.3692 16.1695 16.9117 18.2478 23.0725 TIMING: 3851800 CPU: 12178.7, 0.00315389/step Wall: 12178.7, 0.00315389/step, 1.00591 hours remaining, 237.902344 MB of memory in use. ENERGY: 3851800 4047.9975 20587.9166 14364.6245 220.2300 -203276.9631 2456.4658 0.0000 0.0000 51811.3481 -109788.3806 297.7605 -161599.7287 -109425.8362 298.8431 -56.5776 -24.2563 760989.6550 3.3278 3.2388 PRESSURE: 3852000 -120.906 -95.7524 94.6708 -95.7521 -542.681 71.9424 94.6709 71.9426 190.6 GPRESSURE: 3852000 -94.9889 -94.142 137.929 -34.2645 -548.966 111.545 45.6159 138.511 252.972 PRESSAVG: 3852000 78.9703 -36.0334 4.87419 -36.0334 -69.5728 -57.5349 4.87415 -57.5348 -2.38691 GPRESSAVG: 3852000 79.1797 -36.4775 4.20532 -35.8875 -70.5685 -55.4019 4.11887 -59.3011 -1.12713 TIMING: 3852000 CPU: 12179.3, 0.00313082/step Wall: 12179.3, 0.00313082/step, 0.998382 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3852000 4043.9360 20540.2757 14329.7766 235.4822 -203713.7936 2682.3808 0.0000 0.0000 52174.8236 -109707.1187 299.8494 -161881.9423 -109347.7224 298.9621 -157.6622 -130.3276 761780.2931 2.3369 2.4947 PRESSURE: 3852200 -48.3776 25.8193 141.064 25.8192 43.2134 164.153 141.064 164.152 -214.215 GPRESSURE: 3852200 5.71706 13.8387 116.49 69.9788 21.8568 135.532 90.7878 59.2734 -162.155 PRESSAVG: 3852200 0.127494 -27.0517 39.7084 -27.0518 -57.7839 -14.4573 39.7084 -14.4573 9.65807 GPRESSAVG: 3852200 0.327095 -27.0209 37.9903 -24.5762 -57.5098 -15.8007 39.9373 -13.3801 9.03119 TIMING: 3852200 CPU: 12179.9, 0.00314756/step Wall: 12179.9, 0.00314756/step, 1.00355 hours remaining, 237.902344 MB of memory in use. ENERGY: 3852200 3996.8161 20474.3649 14408.7623 245.6686 -203313.6473 2408.9472 0.0000 0.0000 51956.1258 -109822.9623 298.5926 -161779.0881 -109455.5222 298.4220 -73.1265 -44.8604 761702.3246 -15.9995 -16.0505 LDB: ============= START OF LOAD BALANCING ============== 12192.3 LDB: ============== END OF LOAD BALANCING =============== 12192.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12192.3 LDB: ============= START OF LOAD BALANCING ============== 12192.6 LDB: Largest compute 7078 load 0.034764 is 17.7% of average load 0.195994 LDB: Average compute 0.004370 is 2.2% of average load 0.195994 LDB: TIME 12192.6 LOAD: AVG 0.195994 MAX 0.216884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 241.695 MB LDB: TIME 12192.7 LOAD: AVG 0.195994 MAX 0.216884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.734 MB LDB: TIME 12192.7 LOAD: AVG 0.195994 MAX 0.216884 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.734 MB LDB: ============== END OF LOAD BALANCING =============== 12192.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12192.7 PRESSURE: 3852400 -289.664 -110.894 -21.5932 -110.893 -128.389 -422.9 -21.5926 -422.901 -256.74 GPRESSURE: 3852400 -239.374 -108.768 32.4929 -116.809 -160.865 -297.946 -34.6162 -418.654 -204.972 PRESSAVG: 3852400 49.9798 -19.2597 -1.67542 -19.2597 -67.462 -33.8309 -1.67541 -33.8309 15.3901 GPRESSAVG: 3852400 50.1877 -19.7364 -0.920868 -21.6702 -66.8095 -33.507 -1.49942 -31.6633 15.5506 TIMING: 3852400 CPU: 12180.6, 0.00321042/step Wall: 12180.6, 0.00321042/step, 1.02341 hours remaining, 239.242188 MB of memory in use. ENERGY: 3852400 4013.4334 20587.1280 14317.9698 261.2122 -203299.1473 2196.2788 0.0000 0.0000 51846.5456 -110076.5796 297.9628 -161923.1252 -109715.9710 298.1993 -224.9307 -201.7369 760403.5743 -0.6974 -0.3571 PRESSURE: 3852600 346.349 83.0809 -33.8621 83.0808 -51.4159 145.05 -33.8628 145.051 -22.5601 GPRESSURE: 3852600 244.23 102.616 36.0781 22.1563 26.5394 47.6879 -68.0781 67.1715 77.8452 PRESSAVG: 3852600 7.09097 -46.8196 -26.7495 -46.8196 9.81577 -2.11425 -26.7495 -2.11421 1.52803 GPRESSAVG: 3852600 5.91241 -46.1398 -27.9544 -45.7655 9.17247 -3.13276 -25.0662 -1.05469 2.81162 TIMING: 3852600 CPU: 12181.2, 0.00316973/step Wall: 12181.2, 0.00316973/step, 1.01026 hours remaining, 239.445312 MB of memory in use. ENERGY: 3852600 3940.5943 20645.4943 14387.9165 241.8018 -203490.2725 2633.3335 0.0000 0.0000 51725.0207 -109916.1114 297.2644 -161641.1321 -109564.0811 297.8316 90.7910 116.2050 759827.6485 6.1449 5.9655 PRESSURE: 3852800 -87.4801 86.3687 -20.9416 86.3683 -83.9278 -350.661 -20.9423 -350.661 -390.024 GPRESSURE: 3852800 -14.6207 19.0284 49.9026 51.021 -86.477 -302.618 40.737 -418.46 -365.684 PRESSAVG: 3852800 46.7255 17.4792 -1.15355 17.4792 -15.0828 -27.7189 -1.15358 -27.719 3.15377 GPRESSAVG: 3852800 46.3305 16.5169 -0.707601 15.5774 -13.5325 -25.3315 -1.69607 -32.3742 1.91584 TIMING: 3852800 CPU: 12181.8, 0.00314876/step Wall: 12181.8, 0.00314876/step, 1.00341 hours remaining, 239.445312 MB of memory in use. ENERGY: 3852800 3943.6006 20347.9096 14407.2561 239.5483 -202816.9735 2149.7159 0.0000 0.0000 51892.5162 -109836.4268 298.2270 -161728.9431 -109479.4590 298.6369 -187.1440 -155.5940 760375.2748 11.5988 11.5713 PRESSURE: 3853000 391.91 -643.828 -3.28536 -643.827 170.612 -166.928 -3.28412 -166.928 -248.152 GPRESSURE: 3853000 388.695 -512.517 13.6277 -629.077 173.955 -216.522 25.1501 87.8088 -139.591 PRESSAVG: 3853000 27.8501 -5.52812 37.7471 -5.52812 -21.9799 10.0465 37.7472 10.0466 13.1675 GPRESSAVG: 3853000 28.1624 -4.7335 37.5486 -5.16672 -23.467 9.77364 38.4548 10.7516 14.6403 TIMING: 3853000 CPU: 12182.5, 0.00314258/step Wall: 12182.5, 0.00314258/step, 1.00126 hours remaining, 239.445312 MB of memory in use. ENERGY: 3853000 3896.2621 20353.3798 14363.7058 224.0188 -203444.1315 2631.4865 0.0000 0.0000 52215.0146 -109760.2638 300.0804 -161975.2784 -109391.0584 298.9684 104.7899 141.0194 760353.0118 6.3459 6.4452 PRESSURE: 3853200 14.652 -139.799 -281.01 -139.8 -57.3285 -130.193 -281.01 -130.193 153.477 GPRESSURE: 3853200 67.0936 52.9649 -261.48 -94.3136 -2.55585 -194.371 -356.105 -126.875 142.818 PRESSAVG: 3853200 6.63475 15.5956 50.9478 15.5957 -7.81246 -19.5535 50.9479 -19.5534 8.18034 GPRESSAVG: 3853200 7.53057 16.9943 49.5798 14.7549 -8.21543 -22.7974 48.8954 -17.4408 7.38648 TIMING: 3853200 CPU: 12183.1, 0.00313631/step Wall: 12183.1, 0.00313631/step, 0.99909 hours remaining, 239.445312 MB of memory in use. ENERGY: 3853200 3977.2678 20386.8021 14382.5696 241.6277 -203251.3071 2608.5549 0.0000 0.0000 51895.2995 -109759.1855 298.2430 -161654.4850 -109402.0614 298.6388 36.9336 69.1186 763303.5181 2.3342 2.2339 PRESSURE: 3853400 253.206 86.8548 137.906 86.8551 -59.285 6.40066 137.906 6.40053 291.376 GPRESSURE: 3853400 317.698 152.15 160.592 -27.2698 -22.8274 13.3885 114.713 60.0814 273.211 PRESSAVG: 3853400 27.4564 -7.80818 8.92991 -7.80825 -17.7079 20.0766 8.92992 20.0767 -6.0982 GPRESSAVG: 3853400 26.9677 -7.9821 9.72902 -8.0007 -17.1181 22.2556 9.68387 18.3014 -5.87551 TIMING: 3853400 CPU: 12183.7, 0.00312887/step Wall: 12183.7, 0.00312887/step, 0.996544 hours remaining, 239.445312 MB of memory in use. ENERGY: 3853400 4037.3652 20360.5509 14407.6520 250.0259 -203650.1141 2834.4700 0.0000 0.0000 52030.2889 -109729.7612 299.0188 -161760.0501 -109370.7500 298.5997 161.7659 189.3604 760600.7960 1.2168 1.3247 PRESSURE: 3853600 -215.088 -71.7506 -240.656 -71.7504 -69.5615 15.0531 -240.656 15.053 -172.432 GPRESSURE: 3853600 -115.498 -84.8014 -265.645 -81.2656 -43.0884 1.47442 -63.9526 -69.4421 -214.36 PRESSAVG: 3853600 -2.11708 -6.02789 11.3645 -6.0279 13.4458 -30.2842 11.3645 -30.2843 28.5294 GPRESSAVG: 3853600 -2.72944 -6.70456 11.1824 -4.6541 13.6462 -30.5221 12.7848 -30.6529 29.1555 TIMING: 3853600 CPU: 12184.3, 0.00313999/step Wall: 12184.3, 0.00313999/step, 0.999912 hours remaining, 239.445312 MB of memory in use. ENERGY: 3853600 4004.5242 20362.0329 14405.6059 234.8339 -203088.1257 2303.4867 0.0000 0.0000 52024.8183 -109752.8239 298.9873 -161777.6421 -109399.2835 298.7706 -152.3605 -124.3153 760084.6249 13.2860 13.3574 PRESSURE: 3853800 205.082 71.9635 60.9462 71.9633 -73.1043 -228.566 60.9465 -228.567 6.48136 GPRESSURE: 3853800 203.617 31.7022 41.3184 81.844 47.0495 -260.717 -34.1188 -240.964 -11.9147 PRESSAVG: 3853800 -5.25621 6.27351 -4.72589 6.27351 -13.443 -27.0618 -4.72586 -27.0618 4.97036 GPRESSAVG: 3853800 -4.7761 4.98104 -3.97001 3.91845 -12.7174 -25.1262 -6.43852 -27.5654 4.40133 TIMING: 3853800 CPU: 12185, 0.00317427/step Wall: 12185, 0.00317427/step, 1.01065 hours remaining, 239.445312 MB of memory in use. ENERGY: 3853800 3965.3229 20361.0312 14372.6927 245.8848 -203387.4379 2599.4419 0.0000 0.0000 52216.2459 -109626.8185 300.0875 -161843.0644 -109265.5446 299.2033 46.1532 79.5841 761171.9240 -4.5763 -4.3640 PRESSURE: 3854000 19.6123 -4.48387 73.8145 -4.48378 217.791 97.4186 73.8155 97.4188 -10.514 GPRESSURE: 3854000 80.2883 -61.3845 75.6594 -91.1433 201.366 68.6091 122.026 117.746 -0.544041 PRESSAVG: 3854000 31.7523 -60.9137 -29.7112 -60.9137 38.1677 -2.999 -29.7111 -2.99886 -2.06485 GPRESSAVG: 3854000 32.7339 -62.8587 -30.8208 -60.883 37.9357 -5.18507 -30.1794 -2.27308 -2.49899 TIMING: 3854000 CPU: 12185.6, 0.00316541/step Wall: 12185.6, 0.00316541/step, 1.00766 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3854000 3997.3839 20524.8877 14465.3006 267.8330 -203792.0097 2759.2267 0.0000 0.0000 52198.5815 -109578.7964 299.9860 -161777.3778 -109221.0352 299.2412 75.6298 93.7036 761569.7267 22.6184 22.7235 PRESSURE: 3854200 26.621 189.031 100.87 189.03 119.236 -231.916 100.87 -231.917 -495.097 GPRESSURE: 3854200 127.471 141.746 191.789 146.872 105.061 -149.445 81.0968 -188.996 -464.083 PRESSAVG: 3854200 -1.53292 -46.4832 15.5802 -46.4832 1.98749 -77.1313 15.5802 -77.1314 -13.4906 GPRESSAVG: 3854200 -2.90773 -43.724 15.8082 -45.7375 2.38842 -75.4081 19.7503 -77.9356 -12.5941 TIMING: 3854200 CPU: 12186.2, 0.00315133/step Wall: 12186.2, 0.00315133/step, 1.003 hours remaining, 239.445312 MB of memory in use. ENERGY: 3854200 4043.9793 20494.0277 14415.0055 260.2557 -203367.4780 2487.7704 0.0000 0.0000 51971.9044 -109694.5350 298.6832 -161666.4395 -109347.6153 299.2439 -116.4133 -77.1836 761122.5839 -4.3453 -4.3711 PRESSURE: 3854400 79.784 106.492 289.046 106.493 -57.9836 64.7563 289.046 64.7571 381.458 GPRESSURE: 3854400 67.13 50.7635 199.6 134.341 21.7047 -12.5787 230.739 117.36 399.432 PRESSAVG: 3854400 31.2363 5.56185 14.1423 5.56187 -60.2587 -11.5686 14.1423 -11.5686 27.4054 GPRESSAVG: 3854400 31.5439 5.12453 13.17 4.39839 -59.5794 -14.0548 11.0127 -11.5377 25.7563 TIMING: 3854400 CPU: 12186.9, 0.0031482/step Wall: 12186.9, 0.0031482/step, 1.00183 hours remaining, 239.445312 MB of memory in use. ENERGY: 3854400 3971.5780 20492.4079 14418.7034 248.2873 -203695.6753 2660.7256 0.0000 0.0000 52277.9879 -109625.9851 300.4423 -161903.9731 -109258.3330 298.8950 134.4196 162.7555 761547.3064 -0.5390 -0.7597 PRESSURE: 3854600 9.22579 105.538 -74.1397 105.537 -169.559 -125.421 -74.14 -125.421 -225.136 GPRESSURE: 3854600 81.5235 -5.92734 57.4161 -52.1334 -105.107 -152.566 -29.9455 -53.5251 -260.564 PRESSAVG: 3854600 -2.36646 53.1433 15.1712 53.1433 6.91585 -6.52498 15.1712 -6.52495 5.82025 GPRESSAVG: 3854600 -1.31003 53.0807 18.0748 54.1253 6.467 -6.31817 16.9802 -4.72706 5.86766 TIMING: 3854600 CPU: 12187.5, 0.00313471/step Wall: 12187.5, 0.00313471/step, 0.997361 hours remaining, 239.445312 MB of memory in use. ENERGY: 3854600 4029.3296 20562.4899 14411.9974 249.6228 -203587.9562 2748.0811 0.0000 0.0000 52103.9723 -109482.4631 299.4422 -161586.4354 -109124.3521 299.6435 -128.4897 -94.7160 761751.9233 3.4565 3.6749 PRESSURE: 3854800 -66.2046 16.2032 -46.8013 16.2039 -258.526 17.7428 -46.8015 17.743 -164.027 GPRESSURE: 3854800 -58.0524 -26.7541 -63.3507 35.007 -196.554 98.5783 -70.8688 -3.20488 -144.052 PRESSAVG: 3854800 17.62 18.2561 -31.8966 18.2561 -42.3976 4.45847 -31.8965 4.45838 -16.5268 GPRESSAVG: 3854800 17.0621 18.7573 -33.7843 18.3983 -43.0327 5.71017 -32.6943 3.3778 -16.1575 TIMING: 3854800 CPU: 12188.1, 0.00319383/step Wall: 12188.1, 0.00319383/step, 1.01599 hours remaining, 239.445312 MB of memory in use. ENERGY: 3854800 4008.8194 20367.6311 14409.5645 254.2278 -203362.1105 2454.6090 0.0000 0.0000 52196.0210 -109671.2377 299.9713 -161867.2587 -109306.8991 299.1150 -162.9191 -132.8860 762018.2911 -13.7681 -14.0427 PRESSURE: 3855000 -86.5234 -127.386 24.6483 -127.387 -303.948 86.0613 24.649 86.0619 -218.89 GPRESSURE: 3855000 -44.3633 -100.792 71.3394 -156.625 -220.74 167.457 19.9749 25.9891 -267.911 PRESSAVG: 3855000 -1.56348 -9.61723 18.1872 -9.61727 15.142 -13.0319 18.1872 -13.032 -4.25016 GPRESSAVG: 3855000 -2.00181 -9.44366 18.9457 -8.83534 15.5193 -14.2485 17.8214 -12.6882 -4.20774 TIMING: 3855000 CPU: 12188.8, 0.00317981/step Wall: 12188.8, 0.00317981/step, 1.01136 hours remaining, 239.445312 MB of memory in use. ENERGY: 3855000 3997.5379 20419.9817 14335.5500 240.5942 -203784.0103 2791.9916 0.0000 0.0000 52184.3578 -109813.9973 299.9042 -161998.3550 -109459.0519 299.1004 -203.1207 -177.6715 759904.3965 3.1095 3.1033 PRESSURE: 3855200 353.933 80.3412 -269.656 80.3418 118.435 232.307 -269.655 232.308 139.001 GPRESSURE: 3855200 416.134 -9.50546 -234.845 68.3259 132.337 129.593 -286.036 209.674 152.012 PRESSAVG: 3855200 7.321 6.74706 33.0593 6.74704 -13.9271 29.9196 33.0592 29.9196 6.0142 GPRESSAVG: 3855200 6.87712 6.30823 31.4842 9.21752 -13.1592 29.5042 34.6064 29.1639 5.52832 TIMING: 3855200 CPU: 12189.4, 0.00317092/step Wall: 12189.4, 0.00317092/step, 1.00835 hours remaining, 239.445312 MB of memory in use. ENERGY: 3855200 3962.5187 20501.5983 14431.9409 240.3259 -203645.9342 2758.8398 0.0000 0.0000 51963.4241 -109787.2864 298.6345 -161750.7105 -109423.1269 298.6999 203.7896 233.4944 759738.6233 -0.1973 -0.2513 PRESSURE: 3855400 295.338 -70.855 -179.484 -70.8542 10.7924 -124.627 -179.484 -124.627 -146.255 GPRESSURE: 3855400 406.941 -33.3474 -104.198 -21.1579 -23.5214 -166.589 -123.894 -202.192 -120.499 PRESSAVG: 3855400 34.9469 -6.99643 26.947 -6.99646 -24.5539 -15.8142 26.947 -15.8141 8.40203 GPRESSAVG: 3855400 36.1703 -7.60775 27.2317 -8.90142 -24.9198 -14.5015 25.727 -14.6298 8.11632 TIMING: 3855400 CPU: 12190, 0.00315965/step Wall: 12190, 0.00315965/step, 1.00459 hours remaining, 239.445312 MB of memory in use. ENERGY: 3855400 4003.5407 20429.8250 14379.6958 239.4796 -203523.7958 2642.1492 0.0000 0.0000 52146.8050 -109682.3004 299.6884 -161829.1054 -109314.5795 298.5274 53.2919 87.6401 760599.6628 6.2650 6.4556 PRESSURE: 3855600 -19.4285 50.0282 -105.132 50.0276 -271.136 54.6312 -105.132 54.6321 2.46698 GPRESSURE: 3855600 -24.2834 167.502 -193.605 96.7087 -172.545 38.651 -57.8813 6.14423 -1.4113 PRESSAVG: 3855600 -20.6908 -17.8622 62.2744 -17.8623 -7.52682 1.31146 62.2744 1.31153 9.57191 GPRESSAVG: 3855600 -20.3332 -15.6033 63.0476 -16.927 -7.95298 1.04767 63.0997 0.0501328 9.94018 TIMING: 3855600 CPU: 12190.7, 0.00314905/step Wall: 12190.7, 0.00314905/step, 1.00105 hours remaining, 239.445312 MB of memory in use. ENERGY: 3855600 4016.4962 20482.2002 14373.9991 260.2722 -203199.2547 2445.4876 0.0000 0.0000 51942.0952 -109678.7041 298.5119 -161620.7993 -109318.5312 298.8997 -96.0325 -66.0797 761328.3787 -6.2152 -6.1153 PRESSURE: 3855800 -409.947 -43.7209 136.196 -43.7199 -384.262 -135.589 136.196 -135.59 -77.7578 GPRESSURE: 3855800 -390.034 -47.6274 142.025 -2.13765 -311.483 -90.1469 45.9468 -25.6608 -92.2892 PRESSAVG: 3855800 -31.048 -48.5658 -12.4614 -48.5658 36.2332 -17.4775 -12.4614 -17.4776 -8.72994 GPRESSAVG: 3855800 -34.0387 -51.3545 -12.4549 -46.8107 37.4869 -17.7125 -16.2254 -15.9699 -7.2501 TIMING: 3855800 CPU: 12191.3, 0.00314648/step Wall: 12191.3, 0.00314648/step, 1.00006 hours remaining, 239.445312 MB of memory in use. ENERGY: 3855800 3981.7530 20497.9561 14377.2658 238.8994 -203177.5001 2271.9841 0.0000 0.0000 51959.7552 -109849.8865 298.6134 -161809.6417 -109491.0433 299.0219 -290.6557 -264.6022 759993.9946 -1.1816 -1.2673 PRESSURE: 3856000 84.713 -75.9831 -387.391 -75.9821 220.015 71.342 -387.391 71.3415 551.672 GPRESSURE: 3856000 284.801 -64.6949 -358.052 24.9259 180.48 23.6344 -300.809 270.518 480.919 PRESSAVG: 3856000 -32.6609 -19.3652 -40.5046 -19.3652 28.3187 -14.0324 -40.5045 -14.0325 8.61996 GPRESSAVG: 3856000 -30.0256 -18.8353 -41.386 -23.0691 27.1206 -13.2958 -37.0669 -13.9345 7.51756 TIMING: 3856000 CPU: 12191.9, 0.00313823/step Wall: 12191.9, 0.00313823/step, 0.997261 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3856000 3984.9845 20606.9764 14367.5865 255.9991 -203375.1656 2659.0628 0.0000 0.0000 51959.9098 -109540.6465 298.6143 -161500.5564 -109188.3756 298.7825 285.4668 315.4000 759972.9332 1.4259 1.5375 PRESSURE: 3856200 151.408 -39.3936 156.724 -39.3939 157.624 -23.7233 156.724 -23.724 379.489 GPRESSURE: 3856200 153.647 -2.24944 158.898 20.6746 262.654 -69.7675 159.109 52.1748 356.425 PRESSAVG: 3856200 24.9045 -41.3866 -29.9598 -41.3866 -15.5213 -10.5614 -29.9598 -10.5613 16.8013 GPRESSAVG: 3856200 23.5811 -42.9225 -30.4327 -39.091 -15.9134 -12.0475 -30.7232 -11.1482 18.2744 TIMING: 3856200 CPU: 12192.6, 0.00315157/step Wall: 12192.6, 0.00315157/step, 1.00132 hours remaining, 239.445312 MB of memory in use. ENERGY: 3856200 4018.5833 20420.8663 14411.3172 257.8454 -203197.8296 2601.8020 0.0000 0.0000 51858.1230 -109629.2923 298.0293 -161487.4154 -109265.2368 299.6190 229.5071 257.5752 760830.9956 8.7281 8.6474 LDB: ============= START OF LOAD BALANCING ============== 12205 LDB: ============== END OF LOAD BALANCING =============== 12205 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12205 LDB: ============= START OF LOAD BALANCING ============== 12205.3 LDB: Largest compute 7031 load 0.033019 is 16.8% of average load 0.196144 LDB: Average compute 0.004395 is 2.2% of average load 0.196144 LDB: TIME 12205.3 LOAD: AVG 0.196144 MAX 0.217309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 12205.3 LOAD: AVG 0.196144 MAX 0.217309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 12205.3 LOAD: AVG 0.196144 MAX 0.217309 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 12205.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12205.3 PRESSURE: 3856400 261.265 48.3363 123.647 48.3361 -352.524 78.7481 123.647 78.7475 -456.593 GPRESSURE: 3856400 171.061 145.874 165.062 35.5829 -260.753 77.302 118.148 43.1669 -384.742 PRESSAVG: 3856400 16.4923 12.2228 -57.7982 12.2228 -18.256 -31.5785 -57.7982 -31.5785 14.6109 GPRESSAVG: 3856400 17.2604 13.0379 -57.5611 11.4783 -17.8557 -30.8891 -55.6479 -33.5449 13.9178 TIMING: 3856400 CPU: 12193.2, 0.00328141/step Wall: 12193.2, 0.00328141/step, 1.0424 hours remaining, 239.125000 MB of memory in use. ENERGY: 3856400 4087.8827 20441.8069 14420.7522 235.0104 -202844.2462 2328.4743 0.0000 0.0000 51821.5268 -109508.7930 297.8190 -161330.3198 -109144.4733 299.2149 -182.6174 -158.1447 761475.0041 4.2824 4.4408 PRESSURE: 3856600 281.896 -296.133 -20.38 -296.133 16.6422 -27.2762 -20.3793 -27.277 206.294 GPRESSURE: 3856600 304.319 -160.155 8.25156 -195.924 134.738 -90.5178 100.255 91.688 149.257 PRESSAVG: 3856600 -9.10098 -4.62446 45.4572 -4.62453 -4.59106 -23.8804 45.4573 -23.8805 -19.4681 GPRESSAVG: 3856600 -8.58643 -5.44252 45.6999 -2.71965 -4.39306 -25.073 44.5425 -20.4925 -20.3884 TIMING: 3856600 CPU: 12193.9, 0.00316773/step Wall: 12193.9, 0.00316773/step, 1.00611 hours remaining, 239.125000 MB of memory in use. ENERGY: 3856600 3987.0466 20560.3510 14432.1514 250.5575 -203274.7065 2797.8908 0.0000 0.0000 51968.4096 -109278.2994 298.6632 -161246.7091 -108928.7310 299.4862 168.2775 196.1049 761794.7411 -11.0534 -11.1226 PRESSURE: 3856800 -95.9254 89.9558 -35.5718 89.9554 227.849 159.261 -35.5724 159.262 -99.6376 GPRESSURE: 3856800 -42.8023 114.969 18.3912 43.9253 212.441 160.267 -84.6247 36.3062 -61.8321 PRESSAVG: 3856800 2.1833 12.4915 0.300996 12.4914 21.3413 -12.9517 0.300982 -12.9518 -3.19542 GPRESSAVG: 3856800 1.67489 13.9962 0.278043 10.2944 21.8315 -11.4318 -1.39602 -14.6149 -3.0658 TIMING: 3856800 CPU: 12194.5, 0.00314582/step Wall: 12194.5, 0.00314582/step, 0.998973 hours remaining, 239.125000 MB of memory in use. ENERGY: 3856800 4080.5286 20490.2843 14424.1055 247.9388 -203462.3295 2742.7333 0.0000 0.0000 52178.8088 -109297.9302 299.8723 -161476.7391 -108931.2648 299.7359 10.7619 35.9356 763906.6281 6.7764 6.8135 PRESSURE: 3857000 -34.9284 -59.8446 -92.9383 -59.8422 476.841 70.7319 -92.9376 70.7319 352.16 GPRESSURE: 3857000 3.36847 -52.5675 -26.4264 -18.6445 477.484 39.5658 -37.0149 71.0247 398.938 PRESSAVG: 3857000 -24.7603 9.44741 22.1929 9.44741 54.6257 -2.5171 22.1929 -2.51712 14.1947 GPRESSAVG: 3857000 -23.0272 9.23154 22.8559 11.5293 52.4186 -1.24708 21.6582 -2.77772 14.0911 TIMING: 3857000 CPU: 12195.1, 0.00315213/step Wall: 12195.1, 0.00315213/step, 1.0008 hours remaining, 239.125000 MB of memory in use. ENERGY: 3857000 3914.7225 20511.0295 14444.5055 234.3872 -203190.9136 2732.7408 0.0000 0.0000 52013.1022 -109340.4260 298.9200 -161353.5282 -108979.8701 299.6320 264.6907 293.2633 761847.9087 14.6867 14.4942 PRESSURE: 3857200 -25.1194 35.1708 156.536 35.1704 214.546 -47.7669 156.537 -47.7671 -342.818 GPRESSURE: 3857200 5.11127 130.205 109.299 42.2833 187.249 53.1381 86.5325 -38.8655 -272.45 PRESSAVG: 3857200 -96.2312 10.4353 -0.71749 10.4354 70.7844 16.7652 -0.717482 16.7652 5.75049 GPRESSAVG: 3857200 -97.2732 10.9128 -0.94892 7.00468 71.2799 15.349 -0.104603 18.0327 6.51781 TIMING: 3857200 CPU: 12195.7, 0.00315327/step Wall: 12195.7, 0.00315327/step, 1.00099 hours remaining, 239.125000 MB of memory in use. ENERGY: 3857200 3998.6499 20500.6274 14425.6734 246.1645 -203297.0356 2496.0041 0.0000 0.0000 52272.1805 -109357.7358 300.4089 -161629.9163 -108994.8425 299.9202 -51.1303 -26.6964 761214.3606 -6.5654 -6.4918 PRESSURE: 3857400 201.734 107.626 -199.957 107.627 -63.0734 134.198 -199.957 134.198 -214.34 GPRESSURE: 3857400 232.512 121.427 -216.781 83.1136 -31.807 28.8385 -118.897 77.3787 -181.018 PRESSAVG: 3857400 21.0483 -16.1094 -21.6612 -16.1094 17.859 -61.1203 -21.6612 -61.1203 -19.2104 GPRESSAVG: 3857400 20.4659 -16.3006 -19.8312 -14.9205 17.2404 -60.9962 -21.4672 -62.5666 -17.9278 TIMING: 3857400 CPU: 12196.4, 0.00317433/step Wall: 12196.4, 0.00317433/step, 1.0075 hours remaining, 239.125000 MB of memory in use. ENERGY: 3857400 3938.4857 20450.6269 14462.7869 239.8661 -203305.7411 2684.6411 0.0000 0.0000 52080.5234 -109448.8110 299.3075 -161529.3345 -109082.9229 299.3177 -25.2264 6.5622 761667.7957 6.5656 6.5928 PRESSURE: 3857600 354.842 -74.9591 -111.395 -74.9586 -10.5449 327.89 -111.395 327.889 214.294 GPRESSURE: 3857600 470.207 15.1521 -112.735 -102.162 2.17137 259.971 -96.2149 224.112 178.502 PRESSAVG: 3857600 22.8012 -17.8412 -10.4512 -17.8413 24.6917 -18.5894 -10.4512 -18.5894 8.82862 GPRESSAVG: 3857600 23.0515 -15.2278 -10.5231 -19.1685 26.2221 -17.4102 -12.6557 -19.0918 7.58246 TIMING: 3857600 CPU: 12197, 0.00317069/step Wall: 12197, 0.00317069/step, 1.00617 hours remaining, 239.125000 MB of memory in use. ENERGY: 3857600 3960.0338 20383.3188 14490.9344 252.4073 -203452.0652 2586.2960 0.0000 0.0000 52003.7388 -109775.3361 298.8662 -161779.0748 -109415.0250 299.1632 186.1971 216.9601 761037.5549 18.7739 18.9520 PRESSURE: 3857800 316.022 -166.391 -26.4467 -166.391 262.916 102.624 -26.447 102.624 350.481 GPRESSURE: 3857800 350.12 -118.235 76.8095 -164.809 304.764 31.7434 -27.9589 108.773 361.397 PRESSAVG: 3857800 34.5559 -59.3078 36.1142 -59.3077 2.33304 27.6484 36.1141 27.6484 19.5498 GPRESSAVG: 3857800 34.2136 -61.2363 34.3081 -56.7065 3.08975 27.2064 38.4901 26.8607 19.3633 TIMING: 3857800 CPU: 12197.6, 0.00318033/step Wall: 12197.6, 0.00318033/step, 1.00905 hours remaining, 239.125000 MB of memory in use. ENERGY: 3857800 3961.2774 20396.5325 14448.7220 253.5933 -203729.8214 3009.4344 0.0000 0.0000 51757.5731 -109902.6886 297.4515 -161660.2617 -109538.5714 298.5296 309.8063 338.7602 760834.3473 18.8129 18.8889 PRESSURE: 3858000 -147.514 169.269 42.3006 169.27 -215.573 -29.6369 42.2999 -29.6371 -208.784 GPRESSURE: 3858000 -36.6382 132.953 13.1018 230.984 -258.858 18.0208 17.4995 -73.4162 -185.688 PRESSAVG: 3858000 13.0484 -19.0365 -23.0546 -19.0365 -34.2618 -33.6705 -23.0546 -33.6705 -24.33 GPRESSAVG: 3858000 14.5692 -18.7699 -23.1666 -19.9391 -35.5365 -34.2798 -22.7541 -29.3668 -24.2448 TIMING: 3858000 CPU: 12198.3, 0.00320988/step Wall: 12198.3, 0.00320988/step, 1.01825 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3858000 3938.9242 20626.8455 14405.0335 257.1375 -203237.7729 2244.4036 0.0000 0.0000 51828.4218 -109937.0067 297.8587 -161765.4285 -109578.7314 298.6728 -190.6237 -160.3947 761166.0528 -15.1811 -15.0707 PRESSURE: 3858200 65.4235 -247.613 -21.2644 -247.613 264.583 151.677 -21.2643 151.675 -35.2299 GPRESSURE: 3858200 191.613 -249.534 6.07979 -197.375 167.592 180.095 5.0657 104.243 28.1504 PRESSAVG: 3858200 -2.64985 -6.39456 31.4884 -6.39461 -37.3656 -14.7452 31.4884 -14.7452 -28.1239 GPRESSAVG: 3858200 -2.24739 -7.62322 32.7096 -3.7141 -35.9569 -13.2421 31.2611 -19.1269 -29.3659 TIMING: 3858200 CPU: 12198.9, 0.00317647/step Wall: 12198.9, 0.00317647/step, 1.00747 hours remaining, 239.125000 MB of memory in use. ENERGY: 3858200 3949.8842 20356.4459 14374.0469 249.0798 -203619.5269 2588.9463 0.0000 0.0000 52087.6953 -110013.4286 299.3487 -162101.1239 -109641.5658 298.4622 98.2590 129.1187 760617.5068 -22.7131 -22.5234 PRESSURE: 3858400 276.256 17.5326 94.6796 17.5321 33.1477 -183.087 94.68 -183.087 -210.847 GPRESSURE: 3858400 271.221 -40.3901 145.502 55.8381 69.1799 -172.714 69.9998 -227.339 -134.538 PRESSAVG: 3858400 -27.2848 -44.2352 -10.1462 -44.2352 16.1341 -23.5745 -10.1462 -23.5745 10.2535 GPRESSAVG: 3858400 -28.4818 -43.4061 -9.88605 -47.9131 15.6588 -23.0415 -9.1932 -22.2828 11.9674 TIMING: 3858400 CPU: 12199.6, 0.00317324/step Wall: 12199.6, 0.00317324/step, 1.00627 hours remaining, 239.125000 MB of memory in use. ENERGY: 3858400 3983.3128 20573.9095 14292.5708 243.3576 -202859.7047 2322.3800 0.0000 0.0000 51460.3117 -109983.8622 295.7431 -161444.1740 -109629.9927 297.9446 32.8522 68.6211 761789.0969 -0.2991 -0.2852 PRESSURE: 3858600 166.689 91.7842 94.111 91.7843 -90.1019 -174.132 94.1108 -174.131 -139.817 GPRESSURE: 3858600 71.9928 1.60707 113.325 48.4243 85.2954 -109.76 9.02606 -227.43 -148.301 PRESSAVG: 3858600 25.1302 -30.6646 48.586 -30.6645 -10.0745 -28.5457 48.586 -28.5458 -14.9941 GPRESSAVG: 3858600 25.5444 -32.6598 48.9282 -28.8084 -9.50256 -29.9428 47.6708 -25.5755 -16.1711 TIMING: 3858600 CPU: 12200.2, 0.00318338/step Wall: 12200.2, 0.00318338/step, 1.00931 hours remaining, 239.125000 MB of memory in use. ENERGY: 3858600 3955.6401 20446.4120 14363.8715 262.6616 -203256.4466 2515.0164 0.0000 0.0000 51855.7042 -109857.1408 298.0154 -161712.8450 -109500.1386 297.9341 -21.0765 2.9959 762959.4960 0.0205 -0.0431 PRESSURE: 3858800 -4.05173 246.031 -2.33446 246.03 -173.961 111.795 -2.33459 111.794 448.705 GPRESSURE: 3858800 60.4016 356.116 7.23643 170.294 -162.337 124.636 13.4345 45.305 452.938 PRESSAVG: 3858800 41.2412 -7.57564 25.0628 -7.5756 -16.8889 -24.1435 25.0627 -24.1435 9.04979 GPRESSAVG: 3858800 41.7353 -5.81714 22.0137 -8.81607 -18.89 -23.6032 27.6566 -26.1597 10.2421 TIMING: 3858800 CPU: 12200.8, 0.00317609/step Wall: 12200.8, 0.00317609/step, 1.00682 hours remaining, 239.125000 MB of memory in use. ENERGY: 3858800 3936.4507 20381.5953 14340.2575 232.4347 -203402.0330 2616.0856 0.0000 0.0000 51834.0443 -110061.1649 297.8910 -161895.2092 -109699.5849 298.1394 90.2305 117.0009 761161.1775 11.1340 11.0291 PRESSURE: 3859000 2.50911 -263.366 -77.5074 -263.365 -67.0444 -52.0154 -77.5076 -52.0155 -29.4159 GPRESSURE: 3859000 62.7489 -299.108 -104.883 -159.962 -30.3084 -44.1031 -100.416 19.7846 -49.1995 PRESSAVG: 3859000 33.67 -24.9685 71.8213 -24.9686 -5.51139 -25.7188 71.8214 -25.7188 6.23002 GPRESSAVG: 3859000 33.5523 -24.8957 73.1272 -23.85 -5.00269 -25.7221 70.2071 -27.8041 5.34323 TIMING: 3859000 CPU: 12201.5, 0.00316986/step Wall: 12201.5, 0.00316986/step, 1.00467 hours remaining, 239.125000 MB of memory in use. ENERGY: 3859000 3982.3546 20374.2677 14412.5214 239.5256 -203382.6448 2710.3708 0.0000 0.0000 51619.7903 -110043.8145 296.6596 -161663.6048 -109687.9247 297.9146 -31.3171 -5.5863 761831.4789 11.4629 11.2976 PRESSURE: 3859200 -1.50146 -35.8585 -257.652 -35.8585 175.988 111.456 -257.652 111.456 -151.568 GPRESSURE: 3859200 -23.1344 -84.9482 -284.455 35.3601 225.433 76.0746 -280.61 40.7796 -99.9565 PRESSAVG: 3859200 -24.3294 4.94579 19.4843 4.94581 51.8251 15.0748 19.4843 15.0748 -11.5933 GPRESSAVG: 3859200 -25.9732 3.59681 21.4839 3.27615 52.5711 13.8122 17.3837 15.8851 -10.699 TIMING: 3859200 CPU: 12202.1, 0.00317932/step Wall: 12202.1, 0.00317932/step, 1.00749 hours remaining, 239.125000 MB of memory in use. ENERGY: 3859200 3976.1773 20528.7987 14309.8538 243.3226 -203149.5989 2465.2975 0.0000 0.0000 52026.9352 -109599.2138 298.9995 -161626.1490 -109243.2625 298.1659 7.6394 34.1140 761629.9904 5.3008 5.2996 PRESSURE: 3859400 -79.1671 -1.79446 103.967 -1.79484 130.212 -26.5152 103.966 -26.5142 -496.936 GPRESSURE: 3859400 -51.1923 -40.7002 144.297 -33.9218 201.099 5.40654 45.2124 -94.3826 -514.03 PRESSAVG: 3859400 14.1099 -12.7314 -8.88509 -12.7314 1.43401 -33.6588 -8.88513 -33.6588 0.805373 GPRESSAVG: 3859400 16.2528 -11.2957 -9.10666 -11.859 -0.419683 -32.9572 -9.38565 -32.7085 0.844646 TIMING: 3859400 CPU: 12202.7, 0.00317338/step Wall: 12202.7, 0.00317338/step, 1.00543 hours remaining, 239.125000 MB of memory in use. ENERGY: 3859400 4012.2637 20402.8810 14320.9055 239.7512 -203509.0547 2704.7875 0.0000 0.0000 52273.8154 -109554.6505 300.4183 -161828.4659 -109188.5315 299.3810 -148.6305 -121.3747 759539.3078 5.4498 5.5592 PRESSURE: 3859600 250.126 0.752181 97.1205 0.752363 -78.9821 -175.499 97.1213 -175.498 -273.912 GPRESSURE: 3859600 277.146 -95.8144 183.46 35.9443 3.79163 -97.9377 195.643 -26.3277 -296.259 PRESSAVG: 3859600 48.1911 58.9571 -21.8055 58.957 -34.3714 -18.0413 -21.8056 -18.0413 -16.099 GPRESSAVG: 3859600 46.9339 58.1262 -23.1668 59.1477 -31.7479 -17.4092 -18.2827 -17.757 -17.3403 TIMING: 3859600 CPU: 12203.4, 0.00320086/step Wall: 12203.4, 0.00320086/step, 1.01396 hours remaining, 239.125000 MB of memory in use. ENERGY: 3859600 3946.9974 20382.6787 14350.8069 243.5794 -203313.9827 2562.0442 0.0000 0.0000 52333.5571 -109494.3190 300.7617 -161827.8761 -109121.1372 299.5965 -34.2562 -5.1071 761337.1472 -0.7598 -0.7181 PRESSURE: 3859800 251.237 -76.3854 303.335 -76.3858 -2.87285 -87.6908 303.336 -87.6911 247.668 GPRESSURE: 3859800 269.051 -66.0248 383.73 -121.983 16.2681 -125.683 170.785 17.1038 311.336 PRESSAVG: 3859800 31.7991 -35.4893 9.21653 -35.4894 -54.9834 -23.6751 9.21656 -23.6751 -24.8405 GPRESSAVG: 3859800 32.8798 -34.4517 9.25015 -33.7381 -57.0833 -22.1162 9.09168 -25.5666 -24.026 TIMING: 3859800 CPU: 12204, 0.00319403/step Wall: 12204, 0.00319403/step, 1.01162 hours remaining, 239.125000 MB of memory in use. ENERGY: 3859800 3946.0790 20493.3708 14377.4589 253.5173 -203587.1131 2916.3624 0.0000 0.0000 52010.5761 -109589.7486 298.9055 -161600.3247 -109227.0412 299.1446 165.3441 198.8850 761198.8518 -16.0083 -16.0765 PRESSURE: 3860000 -423.154 63.5018 -75.1528 63.5004 -206.1 109.416 -75.1534 109.416 -330.778 GPRESSURE: 3860000 -399.155 131.924 -81.8321 28.6694 -121.516 67.6144 -16.3908 84.4913 -350.271 PRESSAVG: 3860000 -6.7959 -44.0999 -37.891 -44.0999 -16.0744 -12.1528 -37.8909 -12.1529 26.3033 GPRESSAVG: 3860000 -7.83706 -45.555 -38.0764 -43.6289 -16.1119 -14.0323 -38.9818 -11.558 26.1706 TIMING: 3860000 CPU: 12204.6, 0.00318242/step Wall: 12204.6, 0.00318242/step, 1.00777 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3860000 4034.1413 20419.1884 14357.6175 257.5939 -203168.7021 2425.3556 0.0000 0.0000 51959.6928 -109715.1125 298.6131 -161674.8053 -109355.3221 299.1423 -320.0108 -290.3139 762185.6231 1.1443 0.7406 PRESSURE: 3860200 66.1427 -60.3871 117.212 -60.3872 -41.5187 -67.9018 117.212 -67.902 109.768 GPRESSURE: 3860200 74.6453 -52.2401 76.8659 -133.117 55.5674 -74.8007 -2.76778 -48.7581 72.3404 PRESSAVG: 3860200 38.7094 -22.1077 -38.7837 -22.1078 -8.1465 22.4604 -38.7837 22.4604 -7.90008 GPRESSAVG: 3860200 39.4393 -22.1102 -38.6752 -24.7608 -8.60984 22.0906 -39.0125 23.1329 -8.58248 TIMING: 3860200 CPU: 12205.3, 0.00317948/step Wall: 12205.3, 0.00317948/step, 1.00666 hours remaining, 239.125000 MB of memory in use. ENERGY: 3860200 3974.7220 20502.0552 14327.0637 262.0568 -203641.9990 2682.5137 0.0000 0.0000 52358.2061 -109535.3816 300.9033 -161893.5876 -109175.5906 299.0384 44.7974 67.5177 761019.1322 7.5543 7.4157 LDB: ============= START OF LOAD BALANCING ============== 12217.7 LDB: ============== END OF LOAD BALANCING =============== 12217.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12217.7 LDB: ============= START OF LOAD BALANCING ============== 12218 LDB: Largest compute 7031 load 0.032975 is 16.8% of average load 0.196077 LDB: Average compute 0.004375 is 2.2% of average load 0.196077 LDB: TIME 12218 LOAD: AVG 0.196077 MAX 0.21946 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 12218 LOAD: AVG 0.196077 MAX 0.21946 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: TIME 12218 LOAD: AVG 0.196077 MAX 0.217204 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: ============== END OF LOAD BALANCING =============== 12218 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12218 PRESSURE: 3860400 -21.7623 -168.165 54.3211 -168.166 40.1632 3.47857 54.3207 3.47838 -385.807 GPRESSURE: 3860400 55.8601 -158.963 167.764 -132.512 19.762 -37.0621 -45.5925 89.2355 -337.434 PRESSAVG: 3860400 22.0359 -55.6399 27.3447 -55.6399 -29.9438 -1.7679 27.3447 -1.76792 14.7589 GPRESSAVG: 3860400 20.9645 -54.3861 27.9262 -54.9353 -28.9177 -1.19689 27.4209 -1.89549 15.0324 TIMING: 3860400 CPU: 12205.9, 0.0032554/step Wall: 12205.9, 0.0032554/step, 1.03052 hours remaining, 238.921875 MB of memory in use. ENERGY: 3860400 3991.1407 20642.2204 14384.7761 248.5797 -203102.9506 2295.6232 0.0000 0.0000 52072.6024 -109468.0082 299.2620 -161540.6106 -109104.6096 299.3104 -122.4687 -87.2706 761538.2511 2.2837 2.3597 PRESSURE: 3860600 -125.812 -25.2654 -183.217 -25.2648 -16.0106 -289.74 -183.216 -289.74 -32.5056 GPRESSURE: 3860600 -101.554 -89.2066 -35.4847 -124.62 -21.7555 -350.718 -90.8823 -119.529 16.3077 PRESSAVG: 3860600 -43.4096 -50.6772 -18.9435 -50.6772 22.0854 0.318537 -18.9435 0.318452 16.7018 GPRESSAVG: 3860600 -42.2741 -48.7341 -17.7797 -51.4826 21.8164 0.988585 -21.2254 0.615544 16.6117 TIMING: 3860600 CPU: 12206.6, 0.00317546/step Wall: 12206.6, 0.00317546/step, 1.00503 hours remaining, 238.921875 MB of memory in use. ENERGY: 3860600 4100.7324 20651.4904 14365.9792 247.0864 -203394.5152 2711.3112 0.0000 0.0000 51874.0972 -109443.8185 298.1211 -161317.9157 -109082.3575 299.6049 -58.1094 -35.6673 762671.9977 -1.5408 -1.2820 PRESSURE: 3860800 -211.397 31.4931 -203.044 31.4932 -230.983 263.31 -203.044 263.31 -194.807 GPRESSURE: 3860800 -105.38 44.0346 -231.218 48.5901 -276.943 397.758 -82.3168 81.8624 -177.245 PRESSAVG: 3860800 9.95583 -39.6875 -20.7947 -39.6876 21.4691 38.5585 -20.7946 38.5584 3.54585 GPRESSAVG: 3860800 10.1158 -42.2137 -23.5104 -39.4155 21.4417 38.744 -16.7263 36.0587 3.22822 TIMING: 3860800 CPU: 12207.2, 0.0031611/step Wall: 12207.2, 0.0031611/step, 1.00031 hours remaining, 238.921875 MB of memory in use. ENERGY: 3860800 4006.7564 20436.3347 14329.9652 260.0513 -203073.5827 2307.3344 0.0000 0.0000 52092.2668 -109640.8741 299.3750 -161733.1409 -109274.6612 299.9761 -212.3955 -186.5228 761052.8718 11.6569 11.5953 PRESSURE: 3861000 11.5262 -87.4801 -70.5469 -87.4797 76.8084 -70.8637 -70.5462 -70.8637 112.138 GPRESSURE: 3861000 54.3874 16.1566 -68.8475 -108.849 149.054 -87.4494 -11.2138 -63.2546 89.3994 PRESSAVG: 3861000 19.6074 -0.848148 -48.4734 -0.848194 -7.11945 15.3741 -48.4734 15.3741 -17.3748 GPRESSAVG: 3861000 18.9661 2.70813 -46.8629 0.236334 -6.85639 15.1189 -50.865 16.852 -17.2913 TIMING: 3861000 CPU: 12207.8, 0.00317484/step Wall: 12207.8, 0.00317484/step, 1.00449 hours remaining, 238.921875 MB of memory in use. ENERGY: 3861000 3963.5915 20396.4136 14354.0556 275.9895 -203262.3509 2750.2625 0.0000 0.0000 51822.5105 -109699.5277 297.8247 -161522.0381 -109341.4482 298.7902 66.8243 97.6135 761202.2840 -1.6290 -1.7272 PRESSURE: 3861200 -95.8259 -208.102 146.368 -208.102 296.106 154.06 146.367 154.06 762.454 GPRESSURE: 3861200 -9.12297 -211.204 182.311 -234.754 293.054 23.5074 168.961 134.717 753.561 PRESSAVG: 3861200 -56.8043 -53.7365 -23.9999 -53.7365 39.0579 37.6933 -23.9999 37.6934 19.9297 GPRESSAVG: 3861200 -56.3257 -55.4693 -22.7867 -52.9953 39.0476 38.4359 -24.1755 37.5516 19.6053 TIMING: 3861200 CPU: 12208.5, 0.00316474/step Wall: 12208.5, 0.00316474/step, 1.00111 hours remaining, 238.921875 MB of memory in use. ENERGY: 3861200 3966.0222 20587.8154 14338.9531 234.0819 -203740.6928 2887.6028 0.0000 0.0000 52090.8869 -109635.3306 299.3670 -161726.2175 -109283.3676 299.0871 320.9115 345.8307 761213.7639 0.7278 0.7757 PRESSURE: 3861400 190.711 5.14989 -368.302 5.15026 78.9385 -62.0521 -368.302 -62.0505 -87.6856 GPRESSURE: 3861400 121.339 -46.3149 -432.629 48.4793 187.047 -18.4144 -362.734 -87.6416 -39.0271 PRESSAVG: 3861400 -34.096 7.83824 16.3372 7.83824 18.9652 6.28825 16.3372 6.2883 5.95073 GPRESSAVG: 3861400 -34.4185 8.20352 13.5806 5.38417 18.8162 3.80657 16.4055 9.07607 6.37983 TIMING: 3861400 CPU: 12209.1, 0.00318813/step Wall: 12209.1, 0.00318813/step, 1.00833 hours remaining, 238.921875 MB of memory in use. ENERGY: 3861400 3938.4710 20560.6058 14362.1411 242.9791 -203443.2145 2591.0566 0.0000 0.0000 52203.4796 -109544.4814 300.0141 -161747.9610 -109179.3177 299.6465 60.6545 89.7866 760449.1113 -3.0600 -3.0742 PRESSURE: 3861600 -6.62407 -6.47289 -53.479 -6.47293 139.466 -163.436 -53.478 -163.435 -156.612 GPRESSURE: 3861600 25.829 -11.0213 -43.4264 0.24901 127.958 -152.479 23.5199 -141.423 -93.3075 PRESSAVG: 3861600 -4.47062 -17.0595 -29.8962 -17.0595 21.8665 3.35164 -29.8961 3.35164 3.81769 GPRESSAVG: 3861600 -4.15853 -17.3529 -28.5946 -16.0854 22.0698 5.72821 -29.3999 2.41064 3.56267 TIMING: 3861600 CPU: 12209.7, 0.0031896/step Wall: 12209.7, 0.0031896/step, 1.00862 hours remaining, 238.921875 MB of memory in use. ENERGY: 3861600 4067.3623 20526.9415 14363.1438 255.4693 -203348.5291 2631.7162 0.0000 0.0000 51897.9738 -109605.9221 298.2584 -161503.8960 -109248.2521 299.2889 -7.9236 20.1599 762310.2691 7.0712 7.1580 PRESSURE: 3861800 258.06 35.3126 112.555 35.312 -540.105 62.0671 112.555 62.0667 -214.895 GPRESSURE: 3861800 189.567 30.4724 47.8158 101.886 -479.052 17.9334 57.9293 52.5493 -151.985 PRESSAVG: 3861800 12.6311 -46.4197 41.0482 -46.4197 2.59336 -9.4114 41.0483 -9.41148 11.1184 GPRESSAVG: 3861800 12.4289 -43.8176 38.3819 -43.4629 2.35671 -10.9846 41.2934 -11.0146 11.0874 TIMING: 3861800 CPU: 12210.4, 0.00315328/step Wall: 12210.4, 0.00315329/step, 0.996964 hours remaining, 238.921875 MB of memory in use. ENERGY: 3861800 4053.7840 20659.7073 14360.7882 255.8149 -203150.3566 2355.6970 0.0000 0.0000 52062.1511 -109402.4142 299.2019 -161464.5654 -109044.8775 299.5594 -165.6468 -147.1564 761794.3267 8.7809 8.6243 PRESSURE: 3862000 40.9798 -27.2731 -244.216 -27.2737 -55.7047 -52.9372 -244.217 -52.9381 224.474 GPRESSURE: 3862000 7.246 42.3641 -191.16 -59.7594 -5.75249 -98.5882 -165.321 13.0771 288.054 PRESSAVG: 3862000 58.2434 -41.3279 56.7 -41.3279 -57.9955 25.2045 56.7 25.2045 33.1804 GPRESSAVG: 3862000 58.0122 -42.911 59.2711 -44.518 -57.8329 26.8196 57.1705 24.4164 33.0991 TIMING: 3862000 CPU: 12211, 0.0031606/step Wall: 12211, 0.0031606/step, 0.9991 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3862000 4064.7675 20505.3474 14432.4431 238.4348 -203640.7400 2725.5156 0.0000 0.0000 52086.4248 -109587.8069 299.3414 -161674.2318 -109216.8116 299.4274 69.9165 96.5157 763478.4552 11.1428 11.0928 PRESSURE: 3862200 450.637 -32.6528 -157.742 -32.6535 62.3238 157.267 -157.742 157.266 513.904 GPRESSURE: 3862200 467.325 -47.6036 -201.902 -75.3259 124.939 150.448 -50.972 32.2174 534.694 PRESSAVG: 3862200 34.7795 -3.11081 -24.0091 -3.11085 -43.757 -28.5992 -24.0091 -28.5993 -14.3944 GPRESSAVG: 3862200 34.2193 -4.07145 -24.2084 -2.10589 -43.1513 -27.8493 -25.7945 -28.1317 -14.3231 TIMING: 3862200 CPU: 12211.6, 0.00316532/step Wall: 12211.6, 0.00316532/step, 1.00042 hours remaining, 238.921875 MB of memory in use. ENERGY: 3862200 3903.2859 20657.4497 14427.5185 245.5055 -203989.2719 3030.9420 0.0000 0.0000 52189.4732 -109535.0972 299.9336 -161724.5703 -109170.5262 299.1276 342.2883 375.6528 762313.3739 -7.7906 -7.7517 PRESSURE: 3862400 -152.672 -147.055 277.673 -147.054 160.433 155.998 277.673 155.999 335.759 GPRESSURE: 3862400 -125.374 -120.345 311.065 -123.546 209.091 69.8539 336.898 258.723 348.647 PRESSAVG: 3862400 49.7683 8.41095 -6.28054 8.41089 5.11589 -24.9769 -6.28052 -24.9769 -3.01125 GPRESSAVG: 3862400 50.4623 5.82898 -6.83319 7.80142 4.83808 -28.4013 -4.27895 -23.1591 -3.76258 TIMING: 3862400 CPU: 12212.3, 0.00314982/step Wall: 12212.3, 0.00314982/step, 0.995342 hours remaining, 238.921875 MB of memory in use. ENERGY: 3862400 3930.1682 20692.8845 14420.9192 245.7731 -203825.0622 2904.2851 0.0000 0.0000 51990.4841 -109640.5480 298.7900 -161631.0321 -109277.8438 299.5605 114.5064 144.1213 760988.3461 17.2910 17.1793 PRESSURE: 3862600 166.89 4.34986 -130.621 4.34901 35.4513 75.348 -130.62 75.3485 -191.697 GPRESSURE: 3862600 146.398 -133.858 -121.999 -13.5576 52.8357 3.12915 -92.9719 -3.17675 -108.141 PRESSAVG: 3862600 52.3945 1.92564 32.7549 1.9257 -52.1493 24.6101 32.755 24.6101 11.7855 GPRESSAVG: 3862600 51.714 3.37962 34.0831 2.62069 -52.671 26.9095 30.6163 25.1678 13.6166 TIMING: 3862600 CPU: 12212.9, 0.00315529/step Wall: 12212.9, 0.00315529/step, 0.996896 hours remaining, 238.921875 MB of memory in use. ENERGY: 3862600 3959.6220 20720.5698 14470.6178 265.8650 -203575.1839 2522.2134 0.0000 0.0000 52236.6270 -109399.6688 300.2046 -161636.2959 -109036.5276 299.8193 3.5482 30.3642 761870.5624 4.0102 4.2199 PRESSURE: 3862800 -137.823 87.3519 -100.517 87.3525 23.0809 198.777 -100.517 198.779 408.598 GPRESSURE: 3862800 -110.022 65.4135 -98.9433 110.963 105.699 232.444 -184.824 70.1022 376.933 PRESSAVG: 3862800 28.5156 18.5963 17.6411 18.5963 -9.26147 -7.57194 17.6411 -7.57193 -9.78803 GPRESSAVG: 3862800 27.9522 19.0502 18.1414 18.4401 -8.67168 -7.70715 16.9317 -8.63381 -9.85356 TIMING: 3862800 CPU: 12213.5, 0.00317084/step Wall: 12213.5, 0.00317084/step, 1.00163 hours remaining, 238.921875 MB of memory in use. ENERGY: 3862800 3981.0810 20652.0182 14438.6235 258.2310 -203591.8868 2631.9607 0.0000 0.0000 52189.4424 -109440.5300 299.9334 -161629.9724 -109082.8893 299.3739 97.9519 124.2033 762726.0459 3.1554 3.1423 PRESSURE: 3863000 -216.615 159.07 -198.088 159.069 -105.355 120.32 -198.088 120.32 -67.9153 GPRESSURE: 3863000 -155.338 139.826 -161.905 57.1083 -24.5384 126.279 -158.886 43.0907 -107.148 PRESSAVG: 3863000 35.653 -44.7766 -17.2257 -44.7766 -42.7808 -10.7059 -17.2257 -10.7058 25.0973 GPRESSAVG: 3863000 36.4361 -43.5853 -18.5954 -45.5448 -42.484 -9.70936 -16.4483 -13.1235 24.4896 TIMING: 3863000 CPU: 12214.2, 0.00314824/step Wall: 12214.2, 0.00314824/step, 0.99432 hours remaining, 238.921875 MB of memory in use. ENERGY: 3863000 3995.8621 20805.0103 14391.8119 246.8268 -203599.9075 2780.7926 0.0000 0.0000 51839.1064 -109540.4974 297.9201 -161379.6038 -109173.7712 299.3198 -129.9619 -95.6749 761489.8334 5.9899 6.1472 PRESSURE: 3863200 27.2518 22.8868 -87.4978 22.8876 -71.8756 129.507 -87.497 129.507 67.6885 GPRESSURE: 3863200 97.9579 51.9232 -90.6668 63.1969 -57.6044 77.6812 -166.422 112.943 66.1841 PRESSAVG: 3863200 25.0732 -19.0157 -28.3121 -19.0157 -50.6514 -18.2478 -28.3121 -18.2478 4.05447 GPRESSAVG: 3863200 26.791 -19.4803 -28.2464 -17.58 -52.6594 -18.1707 -27.5015 -15.3001 4.47452 TIMING: 3863200 CPU: 12214.8, 0.00316559/step Wall: 12214.8, 0.00316559/step, 0.999624 hours remaining, 238.921875 MB of memory in use. ENERGY: 3863200 4030.3453 20500.8705 14349.7700 229.6442 -203668.9464 2709.8053 0.0000 0.0000 51985.9646 -109862.5465 298.7641 -161848.5111 -109502.3613 299.3940 7.6882 35.5125 760371.4697 -7.1746 -7.1313 PRESSURE: 3863400 -119.823 -107.053 -198.374 -107.052 -335.543 -90.1557 -198.374 -90.1556 -174.946 GPRESSURE: 3863400 -94.9758 -137.151 -184.062 -66.0399 -250.233 -74.0964 -161.226 -187.905 -212.451 PRESSAVG: 3863400 58.3035 -11.9928 -39.8962 -11.9928 -12.6215 42.9181 -39.8961 42.9181 -5.3186 GPRESSAVG: 3863400 57.4134 -12.7043 -38.6598 -11.8223 -11.2115 42.5035 -39.7817 40.6525 -5.45304 TIMING: 3863400 CPU: 12215.4, 0.00313287/step Wall: 12215.4, 0.00313287/step, 0.989117 hours remaining, 238.921875 MB of memory in use. ENERGY: 3863400 3985.9335 20634.3210 14393.5082 244.0304 -203227.8966 2329.7223 0.0000 0.0000 52036.9162 -109603.4652 299.0569 -161640.3813 -109238.3071 299.0749 -210.1039 -185.8867 761281.8450 13.4545 13.5830 PRESSURE: 3863600 415.037 -2.32103 -37.5736 -2.32147 347.634 0.117619 -37.5741 0.117863 646.014 GPRESSURE: 3863600 509.953 85.1627 -16.2427 77.7146 332.394 -34.1534 20.5826 101.194 647.927 PRESSAVG: 3863600 33.7588 44.2055 64.5625 44.2055 -30.5335 7.45124 64.5625 7.45124 -13.2657 GPRESSAVG: 3863600 34.0466 46.0461 62.4908 43.2419 -30.9194 6.8394 65.5073 9.85855 -13.3489 TIMING: 3863600 CPU: 12216.1, 0.00313602/step Wall: 12216.1, 0.00313602/step, 0.989937 hours remaining, 238.921875 MB of memory in use. ENERGY: 3863600 3888.2552 20687.7165 14403.9716 248.4974 -204113.1727 3013.7073 0.0000 0.0000 52123.1313 -109747.8935 299.5524 -161871.0247 -109385.6722 299.2521 469.5615 496.7580 759014.4171 -3.3468 -3.4073 PRESSURE: 3863800 -138.552 -92.8726 -124.792 -92.8731 -268.706 33.7979 -124.793 33.797 -77.5264 GPRESSURE: 3863800 -149.447 -107.449 -226.708 -21.5975 -206.93 96.744 -221.074 62.3451 -42.431 PRESSAVG: 3863800 0.631815 22.7254 -16.0045 22.7254 16.5148 -39.3244 -16.0045 -39.3244 11.3421 GPRESSAVG: 3863800 0.599081 22.342 -15.4282 22.3135 16.6918 -36.7203 -14.6949 -42.2549 11.5788 TIMING: 3863800 CPU: 12216.7, 0.00314665/step Wall: 12216.7, 0.00314665/step, 0.993119 hours remaining, 238.921875 MB of memory in use. ENERGY: 3863800 4070.4778 20480.0819 14395.1073 240.6154 -203643.2331 2495.5015 0.0000 0.0000 52100.2334 -109861.2158 299.4208 -161961.4492 -109502.9963 299.4956 -161.5945 -132.9358 759547.1986 9.4962 9.6232 PRESSURE: 3864000 -52.4343 -3.98736 -50.7611 -3.98729 -77.5096 -100.844 -50.7599 -100.844 -120.539 GPRESSURE: 3864000 111.519 64.5024 -36.4353 14.7472 -219.398 3.90454 -31.4202 -173.834 -93.4725 PRESSAVG: 3864000 -1.60788 6.03902 -60.4645 6.03903 -57.5889 -19.8711 -60.4645 -19.8712 -5.99541 GPRESSAVG: 3864000 -1.7165 6.8026 -60.0524 5.71867 -58.9443 -21.9648 -62.2084 -15.8028 -5.37371 TIMING: 3864000 CPU: 12217.3, 0.00316087/step Wall: 12217.3, 0.00316087/step, 0.99743 hours remaining, 238.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3864000 3962.7884 20585.3424 14407.8626 247.6798 -203453.8826 2542.4614 0.0000 0.0000 51965.5628 -109742.1852 298.6468 -161707.7480 -109380.7941 299.0489 -83.4941 -67.1174 759898.7520 -21.7307 -22.0115 PRESSURE: 3864200 127.411 151.921 36.7388 151.921 -247.974 -450.043 36.7384 -450.043 -12.3821 GPRESSURE: 3864200 209.927 203.905 93.5486 92.919 -185.48 -410.401 -61.3498 -406.325 -72.6961 PRESSAVG: 3864200 53.4215 -43.0779 -7.53868 -43.0778 10.4118 -20.14 -7.53863 -20.14 9.78697 GPRESSAVG: 3864200 53.9884 -43.7173 -6.80238 -42.7028 9.9682 -18.995 -7.43262 -21.3792 9.70546 TIMING: 3864200 CPU: 12217.9, 0.00316151/step Wall: 12217.9, 0.00316151/step, 0.997456 hours remaining, 238.921875 MB of memory in use. ENERGY: 3864200 3989.7624 20455.1748 14368.8647 237.5943 -203559.1936 2588.4328 0.0000 0.0000 52077.5743 -109841.7902 299.2905 -161919.3645 -109474.6086 299.1745 -44.3152 -16.0830 761464.7273 24.5401 24.5540 LDB: ============= START OF LOAD BALANCING ============== 12230.4 LDB: ============== END OF LOAD BALANCING =============== 12230.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12230.4 LDB: ============= START OF LOAD BALANCING ============== 12230.7 LDB: Largest compute 7031 load 0.033394 is 17.0% of average load 0.196069 LDB: Average compute 0.004388 is 2.2% of average load 0.196069 LDB: TIME 12230.7 LOAD: AVG 0.196069 MAX 0.217873 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 12230.7 LOAD: AVG 0.196069 MAX 0.217873 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: TIME 12230.7 LOAD: AVG 0.196069 MAX 0.217873 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: ============== END OF LOAD BALANCING =============== 12230.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12230.7 PRESSURE: 3864400 -226.939 -158.077 -257.571 -158.077 92.1237 38.5597 -257.571 38.5602 -286.396 GPRESSURE: 3864400 -145.749 -150.761 -258.723 -160.068 48.623 45.8329 -143.524 62.0048 -248.893 PRESSAVG: 3864400 -16.7097 -17.824 -14.4957 -17.824 30.0667 -23.5274 -14.4957 -23.5273 22.5242 GPRESSAVG: 3864400 -18.0345 -18.1102 -14.1757 -18.0979 30.7225 -25.0599 -13.7141 -21.8383 23.4987 TIMING: 3864400 CPU: 12218.6, 0.00326603/step Wall: 12218.6, 0.00326603/step, 1.03025 hours remaining, 238.414062 MB of memory in use. ENERGY: 3864400 4063.7129 20674.8850 14404.9236 260.3069 -203360.0675 2287.3797 0.0000 0.0000 52067.9462 -109600.9131 299.2352 -161668.8593 -109253.4073 299.0240 -140.4035 -115.3397 759831.4587 11.9604 12.0622 PRESSURE: 3864600 -202.137 -216.781 178.731 -216.781 -4.12772 -70.4428 178.73 -70.4418 135.775 GPRESSURE: 3864600 -87.4013 -100.842 330.701 -213.903 -10.0267 -91.7938 35.5526 -37.442 92.0173 PRESSAVG: 3864600 -2.74623 4.49487 -10.619 4.49492 0.142859 8.96885 -10.619 8.96892 -24.2038 GPRESSAVG: 3864600 -0.786696 5.36057 -9.89681 3.91283 -0.245666 8.21199 -13.5712 8.69228 -25.7282 TIMING: 3864600 CPU: 12219.2, 0.00315807/step Wall: 12219.2, 0.00315807/step, 0.996021 hours remaining, 238.414062 MB of memory in use. ENERGY: 3864600 4024.0291 20653.9170 14404.2952 244.0193 -203030.9197 2361.8024 0.0000 0.0000 52044.8310 -109298.0259 299.1024 -161342.8569 -108942.6097 299.3521 -23.4966 -1.8036 761495.6100 -8.9357 -8.9202 PRESSURE: 3864800 -114.11 -190.856 115.339 -190.857 -263.19 -86.2084 115.338 -86.2084 -318.851 GPRESSURE: 3864800 -126.736 -75.1279 81.7562 -47.5432 -152.629 -191.089 162.994 -73.9591 -338.99 PRESSAVG: 3864800 34.3147 -27.6292 -7.17828 -27.6292 -17.4283 -42.7017 -7.17832 -42.7018 24.4839 GPRESSAVG: 3864800 31.9633 -27.6131 -9.73883 -27.7273 -15.8221 -41.3617 -4.43782 -43.41 25.2217 TIMING: 3864800 CPU: 12219.9, 0.00313432/step Wall: 12219.9, 0.00313432/step, 0.988354 hours remaining, 238.414062 MB of memory in use. ENERGY: 3864800 4035.7766 20506.2677 14395.3778 232.8350 -203040.9273 2320.9108 0.0000 0.0000 52194.7616 -109354.9978 299.9640 -161549.7594 -109010.6071 299.8160 -232.0505 -206.1182 760458.4371 13.7901 13.7876 PRESSURE: 3865000 112.312 185.498 196.489 185.497 -196.671 539.74 196.488 539.74 298.98 GPRESSURE: 3865000 143.824 166.853 159.706 60.3868 -101.238 642.909 286.018 455.531 268.218 PRESSAVG: 3865000 -30.546 -9.35383 66.2627 -9.35386 -34.5345 2.11347 66.2627 2.1134 -9.36711 GPRESSAVG: 3865000 -30.7318 -9.57098 66.8796 -8.68448 -35.1231 1.87555 66.614 0.808788 -8.42278 TIMING: 3865000 CPU: 12220.5, 0.00314609/step Wall: 12220.5, 0.00314609/step, 0.991892 hours remaining, 238.414062 MB of memory in use. ENERGY: 3865000 4070.4643 20604.7199 14431.4326 223.5306 -203594.7443 2725.1726 0.0000 0.0000 52475.7018 -109063.7225 301.5786 -161539.4243 -108704.6318 300.3721 71.5402 103.6015 760462.1918 -24.8158 -24.7592 PRESSURE: 3865200 274.437 208.784 301.854 208.784 25.8952 60.7893 301.853 60.7901 30.1581 GPRESSURE: 3865200 277.255 223.291 267.536 211.72 49.2977 -12.3709 200.071 55.5851 79.7442 PRESSAVG: 3865200 0.415435 -12.3792 18.1858 -12.3792 -5.40188 -7.76171 18.1858 -7.76169 2.6994 GPRESSAVG: 3865200 0.698284 -13.3229 18.2006 -11.6606 -5.0956 -7.01682 17.4184 -7.2043 2.21836 TIMING: 3865200 CPU: 12221.1, 0.00314053/step Wall: 12221.1, 0.00314053/step, 0.989966 hours remaining, 238.414062 MB of memory in use. ENERGY: 3865200 4021.9024 20474.4000 14446.6064 260.6191 -203287.8362 2763.4647 0.0000 0.0000 52195.8709 -109124.9726 299.9704 -161320.8435 -108773.9563 300.2670 110.1635 135.4325 761561.2101 -0.7623 -0.7263 PRESSURE: 3865400 -115.863 -235.159 226.495 -235.16 -53.7008 46.4214 226.495 46.4214 34.9743 GPRESSURE: 3865400 -29.5179 -260.688 180.842 -228.985 -64.7527 -96.283 192.816 14.9406 13.7586 PRESSAVG: 3865400 35.0461 -35.2403 4.51578 -35.2403 -18.4953 -4.76814 4.51576 -4.7682 -4.60173 GPRESSAVG: 3865400 34.4162 -35.4897 4.25446 -35.0645 -18.1103 -5.58742 6.75253 -5.48445 -4.41544 TIMING: 3865400 CPU: 12221.7, 0.0031404/step Wall: 12221.7, 0.0031404/step, 0.98975 hours remaining, 238.414062 MB of memory in use. ENERGY: 3865400 4024.1131 20498.4827 14430.8041 249.5660 -203444.5930 2735.1048 0.0000 0.0000 52261.1622 -109245.3601 300.3456 -161506.5224 -108880.7232 299.8271 -44.8631 -26.8373 762445.8568 3.9830 3.9635 PRESSURE: 3865600 -2.12954 -38.2246 38.3045 -38.2247 -361.531 -444.592 38.3049 -444.592 42.7537 GPRESSURE: 3865600 42.0464 -41.9949 68.3347 -88.4368 -331.069 -362.765 -10.7353 -438.441 53.9345 PRESSAVG: 3865600 42.7523 -26.0603 8.63132 -26.0603 15.115 -32.8219 8.6313 -32.822 11.0185 GPRESSAVG: 3865600 43.4416 -24.4364 10.307 -26.6223 15.4803 -31.6757 5.79591 -30.7281 10.3432 TIMING: 3865600 CPU: 12222.4, 0.0032096/step Wall: 12222.4, 0.0032096/step, 1.01138 hours remaining, 238.414062 MB of memory in use. ENERGY: 3865600 4069.6819 20660.8836 14396.3382 225.1436 -203403.7731 2730.8797 0.0000 0.0000 52294.4011 -109026.4450 300.5366 -161320.8461 -108662.2187 300.2055 -106.9689 -78.3626 761750.4812 22.9619 23.0884 PRESSURE: 3865800 -389.109 21.0094 245.516 21.0101 -115.424 -57.2838 245.517 -57.2829 9.33123 GPRESSURE: 3865800 -259.417 101.494 208.29 5.85503 -140.066 -59.978 299.782 -62.7723 -17.6226 PRESSAVG: 3865800 3.35695 0.130866 57.5384 0.130919 -17.4712 -88.6696 57.5385 -88.6696 -1.91321 GPRESSAVG: 3865800 3.31373 -1.09553 55.9989 0.359709 -17.2826 -89.7786 58.7649 -88.7134 -1.9416 TIMING: 3865800 CPU: 12223, 0.00319213/step Wall: 12223, 0.00319213/step, 1.0057 hours remaining, 238.414062 MB of memory in use. ENERGY: 3865800 3978.4484 20357.7947 14461.9222 232.3587 -203393.0191 2591.4650 0.0000 0.0000 52423.9026 -109347.1275 301.2809 -161771.0301 -108984.8264 300.0282 -165.0674 -139.0352 762174.5176 -5.3425 -5.3035 PRESSURE: 3866000 133.89 43.1657 -331.773 43.1662 61.624 11.0184 -331.773 11.0174 238.928 GPRESSURE: 3866000 193.442 -98.8832 -415.029 -0.208906 108.222 -77.4011 -296.061 -38.0373 236.929 PRESSAVG: 3866000 3.21286 -5.82575 -32.5515 -5.82579 -37.5205 -39.4822 -32.5515 -39.4823 24.8736 GPRESSAVG: 3866000 3.25513 -6.77461 -31.6157 -6.89825 -38.5077 -39.8721 -32.8228 -40.8474 25.2391 TIMING: 3866000 CPU: 12223.7, 0.0031918/step Wall: 12223.7, 0.0031918/step, 1.00542 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3866000 4095.0503 20384.3466 14352.4615 235.4860 -203621.4245 2999.3724 0.0000 0.0000 52143.9464 -109410.7613 299.6720 -161554.7077 -109051.6843 299.6162 144.8142 179.5312 762318.9415 -3.1447 -3.3378 PRESSURE: 3866200 169.511 -157.303 68.2189 -157.305 95.9411 108.283 68.2183 108.282 208.665 GPRESSURE: 3866200 186.646 -143.119 20.032 -123.973 118.804 56.9833 -44.619 82.1232 278.844 PRESSAVG: 3866200 47.7997 -21.24 -16.4142 -21.24 -34.5839 -49.1583 -16.4143 -49.1582 16.2785 GPRESSAVG: 3866200 48.6762 -20.8669 -18.669 -18.8254 -35.0656 -47.3222 -17.3455 -50.1363 16.1897 TIMING: 3866200 CPU: 12224.3, 0.00317825/step Wall: 12224.3, 0.00317825/step, 1.00097 hours remaining, 238.414062 MB of memory in use. ENERGY: 3866200 3991.1816 20574.0913 14455.5253 262.3717 -203535.7213 2920.2011 0.0000 0.0000 51937.5392 -109394.8110 298.4858 -161332.3502 -109038.6007 299.4083 158.0393 194.7647 762137.9520 9.8314 9.9334 PRESSURE: 3866400 -337.424 -34.2139 143.329 -34.2141 124.112 -67.6955 143.327 -67.6961 -284.069 GPRESSURE: 3866400 -292.777 -44.964 199.722 -33.2693 89.5264 -41.2107 154.18 45.9638 -230.063 PRESSAVG: 3866400 33.6285 -29.9273 -44.5501 -29.9273 -51.1133 -25.3277 -44.5502 -25.3276 -2.03577 GPRESSAVG: 3866400 32.1875 -29.3072 -42.5168 -31.2974 -50.7523 -27.7409 -44.9458 -24.3495 -0.938438 TIMING: 3866400 CPU: 12224.9, 0.00319534/step Wall: 12224.9, 0.00319534/step, 1.00618 hours remaining, 238.414062 MB of memory in use. ENERGY: 3866400 4021.4646 20639.7214 14357.9392 243.7805 -203179.6117 2347.1427 0.0000 0.0000 52242.6989 -109326.8644 300.2395 -161569.5633 -108971.1223 299.9053 -165.7935 -144.4381 761178.2422 -6.5069 -6.5011 PRESSURE: 3866600 122.716 198.22 12.1956 198.22 -330.764 -86.5271 12.196 -86.5265 -159.508 GPRESSURE: 3866600 165.049 121.501 54.5569 140.939 -258.011 17.3986 3.70694 -150.247 -205.318 PRESSAVG: 3866600 -51.353 -49.748 -34.5277 -49.7481 32.173 -1.5749 -34.5277 -1.57484 1.69577 GPRESSAVG: 3866600 -51.0656 -47.4823 -34.4327 -50.406 33.0708 -1.19036 -34.2488 -0.407976 0.623224 TIMING: 3866600 CPU: 12225.6, 0.00319074/step Wall: 12225.6, 0.00319074/step, 1.00455 hours remaining, 238.414062 MB of memory in use. ENERGY: 3866600 3914.0075 20559.4600 14362.1543 251.1087 -203209.2742 2509.0536 0.0000 0.0000 52089.8344 -109523.6557 299.3610 -161613.4901 -109157.2727 299.5137 -122.5189 -99.4266 761059.8434 -5.8281 -5.7905 PRESSURE: 3866800 356.682 -97.612 -81.5846 -97.612 127.138 77.2515 -81.5849 77.2506 35.65 GPRESSURE: 3866800 311.623 -79.9621 12.5232 -108.878 183.018 -16.3208 -77.5801 27.4101 95.1125 PRESSAVG: 3866800 9.16697 -1.58036 -14.5208 -1.58034 -22.7374 33.9972 -14.5208 33.9973 -3.35365 GPRESSAVG: 3866800 9.71478 -7.00975 -13.9107 1.3692 -22.9537 36.6107 -13.8736 32.7068 -3.41747 TIMING: 3866800 CPU: 12226.2, 0.00318917/step Wall: 12226.2, 0.00318917/step, 1.00388 hours remaining, 238.414062 MB of memory in use. ENERGY: 3866800 3911.7106 20498.5581 14374.2351 260.9040 -203615.1142 2763.9494 0.0000 0.0000 52422.3924 -109383.3646 301.2722 -161805.7570 -109019.0561 299.4682 173.1568 196.5844 761656.9181 -5.6414 -5.5521 PRESSURE: 3867000 -222.46 8.1405 -199.634 8.14084 -48.7563 175.677 -199.634 175.676 -373.128 GPRESSURE: 3867000 -183.657 -117.65 -195.916 -33.7448 -19.2187 165.519 -140.388 119.561 -359.959 PRESSAVG: 3867000 48.4012 -36.8916 -6.39188 -36.8916 -17.8177 -13.6695 -6.39186 -13.6695 0.801818 GPRESSAVG: 3867000 47.3746 -33.706 -7.4603 -39.1842 -17.1251 -15.5314 -6.20902 -14.6427 1.12539 TIMING: 3867000 CPU: 12226.8, 0.00315829/step Wall: 12226.8, 0.00315829/step, 0.993983 hours remaining, 238.414062 MB of memory in use. ENERGY: 3867000 3984.3712 20577.5500 14372.1227 223.3600 -202945.7203 2332.4226 0.0000 0.0000 52023.4181 -109432.4756 298.9793 -161455.8937 -109064.8302 299.4754 -214.7814 -187.6117 761236.1096 10.4617 10.4583 PRESSURE: 3867200 -155.435 143.216 -130.54 143.217 -106.852 -138.233 -130.539 -138.234 -184.402 GPRESSURE: 3867200 -87.0077 121.583 2.26385 297.903 -152.456 -249.332 -198.843 -113.748 -122.249 PRESSAVG: 3867200 -17.4891 -10.1374 8.96563 -10.1374 46.8679 -19.7155 8.96562 -19.7156 18.5314 GPRESSAVG: 3867200 -15.3065 -11.3768 10.5301 -8.42783 45.4102 -19.6791 9.41076 -17.9503 18.252 TIMING: 3867200 CPU: 12227.5, 0.00314674/step Wall: 12227.5, 0.00314674/step, 0.990173 hours remaining, 238.414062 MB of memory in use. ENERGY: 3867200 4001.2324 20689.8149 14391.1859 234.7051 -203079.3336 2620.8925 0.0000 0.0000 51762.9997 -109378.5030 297.4827 -161141.5028 -109022.1285 299.4858 -148.8962 -120.5708 763180.4052 15.9701 16.1186 PRESSURE: 3867400 -128.629 -187.425 350.708 -187.426 431.891 189.752 350.708 189.75 -281.967 GPRESSURE: 3867400 -0.75831 -193.387 336.409 -213.399 438.389 201.617 256.483 -29.0718 -321.895 PRESSAVG: 3867400 -17.8009 -2.33941 21.5352 -2.33953 -30.0447 -27.8869 21.5352 -27.8869 -9.63441 GPRESSAVG: 3867400 -17.6975 -1.89413 21.8908 -1.66961 -30.1109 -28.4039 20.9836 -28.6744 -9.72958 TIMING: 3867400 CPU: 12228.1, 0.00315699/step Wall: 12228.1, 0.003157/step, 0.993226 hours remaining, 238.414062 MB of memory in use. ENERGY: 3867400 3995.0852 20564.8089 14342.7973 226.9650 -203151.4419 2601.5481 0.0000 0.0000 51983.0598 -109437.1775 298.7474 -161420.2373 -109082.2658 299.9930 7.0982 38.5785 762312.1724 -19.1600 -19.1793 PRESSURE: 3867600 -330.375 -302.742 -88.3197 -302.742 -19.1335 -107.068 -88.3197 -107.067 -319.427 GPRESSURE: 3867600 -324.154 -267.993 -156.381 -398.183 54.6906 -78.073 -0.228157 -8.50647 -320.167 PRESSAVG: 3867600 -44.9023 -37.7076 -14.5093 -37.7075 21.0189 11.365 -14.5093 11.365 -3.6884 GPRESSAVG: 3867600 -46.7525 -36.0858 -15.1923 -41.5306 22.6766 11.1882 -13.6323 12.034 -3.43675 TIMING: 3867600 CPU: 12228.7, 0.00319075/step Wall: 12228.7, 0.00319075/step, 1.00367 hours remaining, 238.414062 MB of memory in use. ENERGY: 3867600 4034.8505 20595.0773 14411.3811 256.3594 -203279.8192 2458.7720 0.0000 0.0000 52297.5636 -109225.8152 300.5548 -161523.3787 -108855.7320 300.0261 -222.9785 -196.5437 763482.5511 -9.1906 -9.1709 PRESSURE: 3867800 -296.865 -260.859 275.348 -260.859 69.4866 -169.401 275.348 -169.402 -0.590046 GPRESSURE: 3867800 -265.785 -135.71 260.644 -111.09 83.0295 -133.483 199.801 -90.134 49.6922 PRESSAVG: 3867800 -17.3412 -19.537 17.4611 -19.537 49.3909 -52.3853 17.4611 -52.3854 6.14855 GPRESSAVG: 3867800 -17.3136 -22.255 15.7401 -15.6331 49.5921 -51.5461 19.8237 -52.6892 6.40089 TIMING: 3867800 CPU: 12229.4, 0.00322289/step Wall: 12229.4, 0.00322289/step, 1.0136 hours remaining, 238.414062 MB of memory in use. ENERGY: 3867800 3916.7175 20544.0031 14415.5266 250.8184 -203521.7523 2755.3480 0.0000 0.0000 52314.7574 -109324.5814 300.6536 -161639.3388 -108952.7788 299.9418 -75.9894 -44.3545 761916.5571 12.7328 12.8931 PRESSURE: 3868000 -193.597 45.8919 94.1466 45.8924 56.0308 121.531 94.1472 121.531 -227.636 GPRESSURE: 3868000 -144.849 87.4596 54.5253 43.1599 39.6087 109.283 36.8169 -4.19366 -171.096 PRESSAVG: 3868000 -10.9923 -7.03038 -34.595 -7.0304 17.331 8.55884 -34.5951 8.55895 -9.54064 GPRESSAVG: 3868000 -10.1198 -6.33315 -31.5428 -10.2486 16.9084 7.58171 -38.7781 8.78377 -10.4187 TIMING: 3868000 CPU: 12230, 0.00317937/step Wall: 12230, 0.00317937/step, 0.999736 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3868000 4024.2257 20570.8622 14401.6919 241.7145 -203004.4889 2586.3200 0.0000 0.0000 51875.9709 -109303.7037 298.1319 -161179.6746 -108947.7804 299.9601 -121.7342 -92.1119 762876.6099 -1.0673 -1.2100 PRESSURE: 3868200 -175.735 117.699 -27.0678 117.7 -122.408 15.1762 -27.0682 15.1764 -182.708 GPRESSURE: 3868200 -144.116 195.565 66.1933 123.136 -63.9195 -53.3192 -39.4173 64.2461 -167.897 PRESSAVG: 3868200 21.2343 -7.02193 -10.8328 -7.0219 -12.1186 32.4046 -10.8327 32.4046 5.63414 GPRESSAVG: 3868200 22.4324 -5.7557 -12.8953 -5.15313 -12.5775 31.7807 -7.86465 32.0378 5.34915 TIMING: 3868200 CPU: 12230.7, 0.0031547/step Wall: 12230.7, 0.0031547/step, 0.991803 hours remaining, 238.414062 MB of memory in use. ENERGY: 3868200 3980.4681 20339.9176 14379.2577 243.4132 -202439.5199 2188.1096 0.0000 0.0000 52225.6902 -109082.6634 300.1418 -161308.3536 -108716.9474 300.0251 -160.2837 -125.3108 763422.1892 4.9166 5.0680 LDB: ============= START OF LOAD BALANCING ============== 12243.1 LDB: ============== END OF LOAD BALANCING =============== 12243.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12243.1 LDB: ============= START OF LOAD BALANCING ============== 12243.4 LDB: Largest compute 7031 load 0.036149 is 18.4% of average load 0.196033 LDB: Average compute 0.004402 is 2.2% of average load 0.196033 LDB: TIME 12243.4 LOAD: AVG 0.196033 MAX 0.217437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12243.4 LOAD: AVG 0.196033 MAX 0.217437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 12243.4 LOAD: AVG 0.196033 MAX 0.217437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 12243.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12243.4 PRESSURE: 3868400 -89.8548 153.64 -215.156 153.64 297.954 35.6758 -215.156 35.6759 304.96 GPRESSURE: 3868400 -93.2017 105.825 -115.107 -54.6555 352.715 61.5031 -349.837 85.2808 331.101 PRESSAVG: 3868400 -69.2284 -7.18091 -45.3199 -7.18092 36.6199 -2.95914 -45.3199 -2.95918 -8.57075 GPRESSAVG: 3868400 -69.7134 -8.47953 -44.3563 -8.62687 36.6834 -0.852531 -46.5755 -1.51249 -7.7185 TIMING: 3868400 CPU: 12231.3, 0.00321961/step Wall: 12231.3, 0.00321961/step, 1.01203 hours remaining, 238.671875 MB of memory in use. ENERGY: 3868400 3995.4229 20500.9315 14417.8340 258.9356 -203664.7992 2874.6629 0.0000 0.0000 52244.3905 -109372.6219 300.2492 -161617.0124 -109004.6629 300.0765 171.0195 196.8713 761146.9128 -13.7264 -13.5828 PRESSURE: 3868600 204.333 -157.21 -119.148 -157.211 -11.0606 140.268 -119.147 140.269 74.7896 GPRESSURE: 3868600 188.94 -238.48 -89.2408 -105.953 84.6692 105.35 -56.0856 199.394 67.5498 PRESSAVG: 3868600 -2.80828 -22.2709 -52.6815 -22.2709 -26.2133 -33.592 -52.6815 -33.592 13.9638 GPRESSAVG: 3868600 -3 -23.8938 -54.8698 -21.6123 -25.7114 -35.8944 -51.8314 -33.7316 13.3796 TIMING: 3868600 CPU: 12231.9, 0.00315652/step Wall: 12231.9, 0.00315652/step, 0.992023 hours remaining, 238.679688 MB of memory in use. ENERGY: 3868600 4019.3655 20423.4038 14392.9708 241.6329 -203266.7095 2609.0710 0.0000 0.0000 52321.7538 -109258.5116 300.6938 -161580.2655 -108893.1265 299.5703 89.3541 113.7197 760677.2171 -5.0193 -5.1106 PRESSURE: 3868800 -202.585 -76.6441 -137.383 -76.6439 254.731 223.438 -137.383 223.438 -64.1934 GPRESSURE: 3868800 -149.868 3.43254 -55.1267 -46.9687 318.93 279.162 -30.3662 136.026 -75.6773 PRESSAVG: 3868800 -38.0008 -3.01072 -3.54683 -3.01067 24.6919 13.1714 -3.54683 13.1714 1.08739 GPRESSAVG: 3868800 -36.4217 -2.30738 -2.36524 -3.30936 24.2872 16.7181 -0.602904 11.1988 0.500131 TIMING: 3868800 CPU: 12232.6, 0.00322171/step Wall: 12232.6, 0.00322171/step, 1.01233 hours remaining, 238.679688 MB of memory in use. ENERGY: 3868800 3995.3579 20399.8208 14429.8780 256.1566 -203377.3567 2759.4475 0.0000 0.0000 52092.7369 -109443.9589 299.3777 -161536.6958 -109075.8503 299.5317 -4.0158 31.1280 762299.4451 -4.0738 -3.8781 PRESSURE: 3869000 287.79 -123.954 -104.105 -123.954 89.2402 168.932 -104.104 168.931 -212.245 GPRESSURE: 3869000 281.165 -162.803 -72.7827 -172.273 89.7995 106.056 -99.8215 258.453 -112.311 PRESSAVG: 3869000 -31.6652 -27.3729 -2.99259 -27.3729 45.1435 9.88023 -2.99256 9.88018 -13.3649 GPRESSAVG: 3869000 -33.4931 -26.8907 -2.52578 -28.3763 46.2381 7.89493 -5.88093 10.6297 -12.3845 TIMING: 3869000 CPU: 12233.2, 0.00318011/step Wall: 12233.2, 0.00318011/step, 0.999085 hours remaining, 238.679688 MB of memory in use. ENERGY: 3869000 3987.4915 20685.4137 14396.9545 277.1028 -203730.4665 2920.3924 0.0000 0.0000 51970.6592 -109492.4524 298.6761 -161463.1116 -109131.5584 299.1882 54.9283 86.2178 762322.3944 0.0378 0.1202 PRESSURE: 3869200 -283.878 136.346 161.54 136.346 -384.305 -174.04 161.54 -174.039 169.709 GPRESSURE: 3869200 -183.359 59.7662 40.3988 150.849 -446.821 -152.823 38.3168 -130.131 211.233 PRESSAVG: 3869200 27.3371 -6.59978 32.0115 -6.59979 -67.0685 9.00588 32.0114 9.00586 10.3572 GPRESSAVG: 3869200 28.0106 -7.39956 32.1928 -5.63885 -67.6944 7.92021 30.6065 7.28658 10.5569 TIMING: 3869200 CPU: 12233.9, 0.0031889/step Wall: 12233.9, 0.0031889/step, 1.00167 hours remaining, 238.679688 MB of memory in use. ENERGY: 3869200 3922.0820 20755.2594 14421.0765 261.0974 -202853.9090 2273.2129 0.0000 0.0000 51749.9648 -109471.2159 297.4078 -161221.1807 -109112.1481 299.4115 -166.1581 -139.6491 763993.5152 -9.7914 -9.7090 PRESSURE: 3869400 253.635 3.16475 -5.38811 3.16523 108.875 87.5171 -5.38837 87.5176 358.297 GPRESSURE: 3869400 264.232 15.4716 -18.7923 56.9811 167.227 112.713 25.2051 11.2678 353.135 PRESSAVG: 3869400 6.02288 14.0569 -17.2481 14.057 -30.8727 -42.3814 -17.2481 -42.3813 7.13035 GPRESSAVG: 3869400 7.0719 14.3828 -17.6283 15.0066 -31.1654 -41.5655 -16.0457 -40.1081 7.4808 TIMING: 3869400 CPU: 12234.5, 0.00316372/step Wall: 12234.5, 0.00316372/step, 0.993585 hours remaining, 238.679688 MB of memory in use. ENERGY: 3869400 3907.8721 20498.8500 14335.1367 260.4225 -203507.0435 2653.3347 0.0000 0.0000 52137.4017 -109714.0259 299.6344 -161851.4275 -109334.5866 299.0166 240.2693 261.5315 762738.8956 -5.9065 -5.5376 PRESSURE: 3869600 233.725 122.728 -56.3512 122.727 90.9424 6.69418 -56.3514 6.69426 -127.875 GPRESSURE: 3869600 272.026 53.2934 -9.62279 25.6763 195.02 -69.0047 9.34381 -42.1772 -178.766 PRESSAVG: 3869600 -22.0874 61.8847 8.07293 61.8847 -24.6971 46.7203 8.0729 46.7203 -2.17395 GPRESSAVG: 3869600 -22.8792 61.7239 9.2432 61.5848 -24.1449 48.1397 8.58886 45.0808 -2.19377 TIMING: 3869600 CPU: 12235.1, 0.00317029/step Wall: 12235.1, 0.00317029/step, 0.995472 hours remaining, 238.679688 MB of memory in use. ENERGY: 3869600 3978.6414 20560.0828 14384.7600 252.1205 -203586.7180 2654.1679 0.0000 0.0000 51996.9204 -109760.0249 298.8270 -161756.9453 -109394.8951 299.2293 65.5975 96.0936 760979.6100 -16.3195 -16.4059 PRESSURE: 3869800 238.237 -114.725 -141.398 -114.724 82.0874 173.496 -141.398 173.496 7.81822 GPRESSURE: 3869800 211.437 44.4439 -107.89 10.1614 174.737 183.547 -284.234 249.559 40.0694 PRESSAVG: 3869800 2.73411 -22.827 38.6771 -22.827 -10.9343 6.24077 38.6771 6.24084 19.9482 GPRESSAVG: 3869800 1.6999 -22.0045 37.8639 -23.4915 -9.96331 4.62204 34.5236 6.67009 19.9604 TIMING: 3869800 CPU: 12235.8, 0.00318339/step Wall: 12235.8, 0.00318339/step, 0.999407 hours remaining, 238.679688 MB of memory in use. ENERGY: 3869800 3988.2556 20487.1271 14373.1080 246.7441 -203822.9971 2791.3623 0.0000 0.0000 52054.1184 -109882.2816 299.1557 -161936.3999 -109514.9708 298.5642 109.3809 142.0813 761963.5581 3.9160 3.8990 PRESSURE: 3870000 203.684 45.6047 103.431 45.605 59.636 -133.662 103.431 -133.66 264.77 GPRESSURE: 3870000 84.0628 100.064 39.4599 19.0397 164.39 -81.9633 50.4006 -94.5721 364.255 PRESSAVG: 3870000 -87.0201 -35.7014 18.7266 -35.7014 55.9793 -55.295 18.7267 -55.295 -7.83027 GPRESSAVG: 3870000 -87.4207 -36.2957 18.501 -35.3961 55.8793 -55.3288 22.0975 -53.9877 -7.22007 TIMING: 3870000 CPU: 12236.4, 0.00318166/step Wall: 12236.4, 0.00318166/step, 0.998687 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3870000 3891.2869 20552.2206 14441.1405 234.7117 -203407.7197 2574.7324 0.0000 0.0000 51679.5122 -110034.1153 297.0029 -161713.6275 -109676.5872 298.3083 176.0297 204.2360 761197.3594 -12.9570 -12.9205 PRESSURE: 3870200 114.758 -65.8966 -220.194 -65.8969 -47.7422 107.758 -220.195 107.759 120.01 GPRESSURE: 3870200 121.109 -66.3908 -200.5 -168.254 12.5008 79.1831 -176.968 59.0747 121.781 PRESSAVG: 3870200 -28.8916 -27.432 1.12323 -27.4319 12.8481 13.326 1.12318 13.3261 20.404 GPRESSAVG: 3870200 -28.9853 -28.0236 0.574691 -28.2149 14.0431 13.9738 1.32766 10.8411 19.5042 TIMING: 3870200 CPU: 12237, 0.00318689/step Wall: 12237, 0.0031869/step, 1.00015 hours remaining, 238.679688 MB of memory in use. ENERGY: 3870200 3881.1783 20443.4252 14378.7850 267.6735 -202793.8345 2192.5463 0.0000 0.0000 51883.3360 -109746.8902 298.1742 -161630.2262 -109388.6987 297.8389 62.3421 85.1301 762704.1717 1.4535 1.5207 PRESSURE: 3870400 -127.088 -31.9882 -121.803 -31.9882 7.60388 -67.1487 -121.804 -67.1483 -170.062 GPRESSURE: 3870400 -92.5411 -133.744 -157.49 -52.5423 -26.4422 -110.792 -18.0491 22.605 -88.0618 PRESSAVG: 3870400 -47.0615 70.5353 48.3154 70.5353 13.1541 -56.4311 48.3153 -56.4311 0.977392 GPRESSAVG: 3870400 -45.7737 70.6984 49.6909 70.5365 10.6822 -55.9873 49.7444 -55.5671 1.87069 TIMING: 3870400 CPU: 12237.7, 0.00315975/step Wall: 12237.7, 0.00315975/step, 0.99146 hours remaining, 238.679688 MB of memory in use. ENERGY: 3870400 3956.3346 20483.2816 14352.6820 253.3080 -203434.8262 2601.1604 0.0000 0.0000 51861.7163 -109926.3434 298.0500 -161788.0597 -109571.2678 298.6069 -96.5152 -69.0150 762180.5205 -10.9767 -11.0736 PRESSURE: 3870600 -435.815 29.3335 -105.676 29.3334 -219.67 132.981 -105.676 132.98 -57.005 GPRESSURE: 3870600 -424.914 20.7464 -166.384 0.985078 -171.373 153.462 -153.874 148.275 -30.0757 PRESSAVG: 3870600 31.8015 10.9554 -20.5377 10.9555 14.069 -44.3139 -20.5377 -44.3139 32.6887 GPRESSAVG: 3870600 30.6697 10.7758 -22.0856 12.3237 15.4805 -44.5793 -22.3846 -44.8064 32.1997 TIMING: 3870600 CPU: 12238.3, 0.00315565/step Wall: 12238.3, 0.00315565/step, 0.989996 hours remaining, 238.679688 MB of memory in use. ENERGY: 3870600 3927.3347 20463.3499 14329.6182 260.6540 -203730.9105 2823.2007 0.0000 0.0000 51917.5795 -110009.1734 298.3710 -161926.7530 -109646.7184 298.5572 -237.4968 -208.7875 762016.1945 26.1864 26.1167 PRESSURE: 3870800 81.8632 -178.814 -34.5953 -178.815 170.22 187.093 -34.5956 187.093 8.31213 GPRESSURE: 3870800 156.007 -167.759 13.293 -128.277 179.073 180.272 -9.83159 95.0441 37.2677 PRESSAVG: 3870800 54.4586 -14.0957 -71.5729 -14.0957 -38.8978 21.0427 -71.5729 21.0427 0.505362 GPRESSAVG: 3870800 56.4601 -14.6521 -70.3385 -15.348 -40.0764 20.4451 -71.5318 21.4837 -0.239236 TIMING: 3870800 CPU: 12238.9, 0.00314969/step Wall: 12238.9, 0.00314969/step, 0.987952 hours remaining, 238.679688 MB of memory in use. ENERGY: 3870800 3939.2242 20322.5805 14466.5099 259.2606 -203651.6675 2987.3826 0.0000 0.0000 51879.5282 -109797.1813 298.1524 -161676.7096 -109430.4931 298.7894 86.7984 124.1160 761974.3681 5.3554 5.3815 PRESSURE: 3871000 -261.458 1.92844 -159.141 1.9294 -250.172 -121.481 -159.141 -121.481 -425.962 GPRESSURE: 3871000 -220.17 -18.2225 -151.923 13.7891 -219.369 -105.708 14.9476 -113.448 -421.914 PRESSAVG: 3871000 -31.3516 -3.19897 -34.4817 -3.19893 -6.46697 -13.1944 -34.4817 -13.1945 -4.29236 GPRESSAVG: 3871000 -32.721 -3.20991 -34.3836 -2.48767 -4.97372 -14.6421 -34.8523 -11.2443 -4.6766 TIMING: 3871000 CPU: 12239.6, 0.00315944/step Wall: 12239.6, 0.00315944/step, 0.990836 hours remaining, 238.679688 MB of memory in use. ENERGY: 3871000 3996.5945 20444.0671 14424.1484 262.0713 -203702.2444 2730.8315 0.0000 0.0000 52056.0971 -109788.4345 299.1671 -161844.5316 -109422.7875 298.9607 -312.5309 -287.1510 762631.7268 -14.0370 -14.1238 PRESSURE: 3871200 -188.591 -63.6855 158.585 -63.6856 -339.749 194.042 158.585 194.041 -96.396 GPRESSURE: 3871200 -109.248 -118.854 163.789 32.7849 -277.129 207.771 48.5881 197.562 -177.049 PRESSAVG: 3871200 -12.9527 15.3061 -15.9032 15.3061 13.6223 45.2886 -15.9031 45.2886 28.34 GPRESSAVG: 3871200 -11.7875 15.1514 -15.1414 16.3578 12.6569 47.252 -15.088 42.6688 27.5619 TIMING: 3871200 CPU: 12240.2, 0.00319001/step Wall: 12240.2, 0.00319001/step, 1.00024 hours remaining, 238.679688 MB of memory in use. ENERGY: 3871200 4021.4333 20321.0330 14486.9142 231.3481 -203323.1836 2576.8962 0.0000 0.0000 52030.4825 -109655.0763 299.0199 -161685.5588 -109297.0778 298.8631 -208.2453 -187.8087 761318.4754 9.6699 9.4771 PRESSURE: 3871400 -129.708 74.5833 -93.0021 74.5838 -77.775 119.309 -93.0024 119.309 100.464 GPRESSURE: 3871400 -117.244 26.5263 -50.2702 52.2009 -76.3541 43.6602 -170.58 304.103 165.512 PRESSAVG: 3871400 38.0635 2.94575 26.8794 2.9457 17.6088 3.84011 26.8795 3.84008 13.8662 GPRESSAVG: 3871400 37.8738 2.04047 25.4427 3.03613 18.0999 2.52287 25.5994 4.35338 13.8928 TIMING: 3871400 CPU: 12240.8, 0.00319171/step Wall: 12240.8, 0.00319171/step, 1.0006 hours remaining, 238.679688 MB of memory in use. ENERGY: 3871400 3993.6213 20511.3556 14462.5565 250.9109 -203234.0623 2211.9455 0.0000 0.0000 51938.7983 -109864.8744 298.4930 -161803.6727 -109502.3308 299.0207 -35.6729 -9.3620 761532.4710 23.1795 23.2888 PRESSURE: 3871600 -232.472 -65.9935 105.937 -65.9937 50.7781 -185.176 105.937 -185.176 -157.48 GPRESSURE: 3871600 -163.31 -154.615 40.4213 -65.7913 78.2327 -194.065 109.2 -188.72 -148.77 PRESSAVG: 3871600 32.4606 3.50454 17.6886 3.50452 3.22787 9.9063 17.6886 9.90638 -9.175 GPRESSAVG: 3871600 32.2942 5.16807 17.7552 1.2822 2.67832 9.32352 18.3599 11.8979 -8.36628 TIMING: 3871600 CPU: 12241.5, 0.00320047/step Wall: 12241.5, 0.00320047/step, 1.00317 hours remaining, 238.679688 MB of memory in use. ENERGY: 3871600 3955.6571 20566.0440 14405.6814 274.8899 -203314.3119 2446.2313 0.0000 0.0000 51765.5870 -109900.2212 297.4975 -161665.8082 -109534.4199 298.3865 -113.0581 -77.9489 759460.6025 8.8378 8.8688 PRESSURE: 3871800 60.0871 -112.736 60.1542 -112.736 57.1565 -74.8111 60.1535 -74.8107 -78.0664 GPRESSURE: 3871800 91.9986 -71.6046 51.5276 -5.33058 34.8953 -70.6133 29.7812 -106.478 -12.0303 PRESSAVG: 3871800 -40.3284 22.2081 39.7661 22.2081 29.2044 7.70518 39.7661 7.70526 5.04506 GPRESSAVG: 3871800 -39.7039 22.5571 38.9264 22.8422 29.0877 8.01133 40.5858 5.52535 4.75604 TIMING: 3871800 CPU: 12242.1, 0.00316558/step Wall: 12242.1, 0.00316558/step, 0.992058 hours remaining, 238.679688 MB of memory in use. ENERGY: 3871800 4041.6932 20475.5966 14433.3701 249.6691 -203544.7758 2683.3968 0.0000 0.0000 52068.4901 -109592.5599 299.2383 -161661.0500 -109232.9578 299.0364 13.0591 38.2879 761497.0408 -2.0263 -1.9534 PRESSURE: 3872000 -99.9799 -315.439 236.231 -315.438 87.764 74.2835 236.231 74.2843 69.75 GPRESSURE: 3872000 -35.0843 -185.47 254.244 -302.474 111.256 35.075 182.679 -43.4271 76.9977 PRESSAVG: 3872000 -14.7146 -58.1296 -4.83108 -58.1296 -16.9784 55.1939 -4.83106 55.194 -8.77835 GPRESSAVG: 3872000 -14.9172 -57.5419 -4.85454 -56.5969 -16.5863 54.7315 -5.26716 54.2166 -8.23255 TIMING: 3872000 CPU: 12242.7, 0.0031681/step Wall: 12242.7, 0.0031681/step, 0.99267 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3872000 3985.5432 20602.2170 14384.8885 246.7735 -203341.3753 2641.4740 0.0000 0.0000 52142.7635 -109337.7157 299.6652 -161480.4792 -108977.2890 299.6747 19.1780 51.0563 761138.7665 -13.4904 -13.2453 PRESSURE: 3872200 -258.906 -263.298 -147.134 -263.298 -186.215 -120.164 -147.134 -120.166 -120.579 GPRESSURE: 3872200 -303.779 -306.886 -172.109 -167.199 -145.061 -61.4685 -23.0837 -140.488 -13.314 PRESSAVG: 3872200 -10.609 -2.51084 48.5983 -2.51088 29.1608 -44.756 48.5983 -44.7561 -7.89776 GPRESSAVG: 3872200 -11.2072 -3.1545 48.6956 -3.22154 29.786 -45.5824 48.6769 -43.0418 -7.95571 TIMING: 3872200 CPU: 12243.4, 0.00318619/step Wall: 12243.4, 0.00318619/step, 0.998162 hours remaining, 238.679688 MB of memory in use. ENERGY: 3872200 3941.0192 20540.9602 14407.0878 254.0632 -203383.8235 2629.7907 0.0000 0.0000 52149.2647 -109461.6378 299.7025 -161610.9024 -109095.4754 299.7639 -188.5666 -154.0511 761181.0802 3.5513 3.5410 LDB: ============= START OF LOAD BALANCING ============== 12255.8 LDB: ============== END OF LOAD BALANCING =============== 12255.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12255.8 LDB: ============= START OF LOAD BALANCING ============== 12256.1 LDB: Largest compute 7068 load 0.035922 is 18.3% of average load 0.196066 LDB: Average compute 0.004395 is 2.2% of average load 0.196066 LDB: TIME 12256.1 LOAD: AVG 0.196066 MAX 0.216594 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 12256.1 LOAD: AVG 0.196066 MAX 0.216594 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 12256.1 LOAD: AVG 0.196066 MAX 0.216594 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 12256.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12256.1 PRESSURE: 3872400 69.4137 -94.8408 14.4341 -94.8418 25.9506 -168.542 14.4338 -168.542 -191.47 GPRESSURE: 3872400 128.283 -126.642 -86.1039 -51.7095 -27.7241 -93.1685 -78.3151 -65.2628 -109.003 PRESSAVG: 3872400 73.6124 39.3129 -25.4352 39.3128 -37.8224 -15.0692 -25.4351 -15.0692 -3.82214 GPRESSAVG: 3872400 74.2754 37.7133 -23.4923 39.8769 -38.2169 -12.2489 -26.4093 -15.1821 -4.01949 TIMING: 3872400 CPU: 12244, 0.00323525/step Wall: 12244, 0.00323525/step, 1.01335 hours remaining, 239.179688 MB of memory in use. ENERGY: 3872400 3989.0303 20538.5658 14447.3151 243.6525 -203417.2102 2554.0041 0.0000 0.0000 52083.6478 -109560.9946 299.3254 -161644.6424 -109196.0104 299.4552 -32.0352 -2.8148 758349.3409 10.6559 10.6796 PRESSURE: 3872600 -39.2377 123.082 -136.294 123.081 -47.4257 14.1899 -136.294 14.1907 418.283 GPRESSURE: 3872600 51.6891 -6.65223 -62.9592 92.6086 -83.0429 -5.28316 1.95815 -55.2637 434.175 PRESSAVG: 3872600 28.1157 33.6577 -46.2237 33.6577 1.19335 4.02376 -46.2236 4.02378 -7.82972 GPRESSAVG: 3872600 28.4959 33.9001 -46.6861 33.7656 1.0568 2.80029 -46.2567 3.55448 -7.69031 TIMING: 3872600 CPU: 12244.7, 0.00318558/step Wall: 12244.7, 0.00318558/step, 0.997617 hours remaining, 239.437500 MB of memory in use. ENERGY: 3872600 4048.1866 20622.8513 14414.1461 263.8293 -203776.6257 2675.5662 0.0000 0.0000 52050.8371 -109701.2091 299.1369 -161752.0463 -109347.1248 299.5467 110.5399 134.2737 759187.4758 7.1598 7.2875 PRESSURE: 3872800 8.32092 -77.4016 132.135 -77.4026 -94.1007 -164.144 132.135 -164.144 -299.649 GPRESSURE: 3872800 100.848 -3.90017 93.9277 -47.451 -85.3231 -117.347 124.599 -120.018 -305.794 PRESSAVG: 3872800 51.5656 -35.3612 -7.136 -35.3612 -40.7185 23.4857 -7.13602 23.4857 1.28727 GPRESSAVG: 3872800 51.6283 -34.6261 -6.29691 -38.0191 -41.0602 22.8853 -6.5905 24.8046 1.29857 TIMING: 3872800 CPU: 12245.3, 0.00317018/step Wall: 12245.3, 0.00317017/step, 0.992617 hours remaining, 239.437500 MB of memory in use. ENERGY: 3872800 3993.4560 20599.2161 14432.5818 229.6952 -203640.0349 2681.2813 0.0000 0.0000 52316.9711 -109386.8334 300.6664 -161703.8045 -109027.4894 300.0678 -128.4763 -96.7566 760412.6801 4.0448 3.9556 PRESSURE: 3873000 69.8164 -57.2386 99.0467 -57.2389 -60.2324 29.6915 99.0472 29.6914 134.944 GPRESSURE: 3873000 94.3635 73.839 168.892 -133.754 -79.5412 55.097 192.327 146.154 224.173 PRESSAVG: 3873000 37.0689 -1.41725 15.5434 -1.41732 -8.11262 48.0492 15.5433 48.0492 -20.7764 GPRESSAVG: 3873000 35.1763 -0.127926 13.1762 -0.24139 -6.36879 48.8159 17.659 47.2189 -20.7295 TIMING: 3873000 CPU: 12245.9, 0.00318572/step Wall: 12245.9, 0.00318572/step, 0.997306 hours remaining, 239.437500 MB of memory in use. ENERGY: 3873000 3944.5899 20518.8743 14472.7630 235.1393 -203179.2362 2377.5441 0.0000 0.0000 52374.7814 -109255.5441 300.9986 -161630.3255 -108887.8874 300.2123 48.1759 79.6650 759943.4371 2.7266 2.6927 PRESSURE: 3873200 -71.9179 -85.7422 112.465 -85.7413 360.227 196.397 112.465 196.397 -110.93 GPRESSURE: 3873200 -14.5773 -140.225 218.666 -68.6074 359.262 242.014 92.0201 71.5239 -75.0761 PRESSAVG: 3873200 -22.5992 -12.1713 0.0937149 -12.1713 7.85834 84.2698 0.0936932 84.2698 14.5954 GPRESSAVG: 3873200 -22.4137 -14.6645 2.1232 -12.1788 7.61378 84.1157 -0.680869 84.3566 14.3507 TIMING: 3873200 CPU: 12246.6, 0.00317124/step Wall: 12246.6, 0.00317124/step, 0.992598 hours remaining, 239.437500 MB of memory in use. ENERGY: 3873200 3985.4105 20522.4987 14466.5047 247.4908 -203670.4480 2929.2400 0.0000 0.0000 52003.2394 -109516.0639 298.8633 -161519.3033 -109161.9764 299.7284 59.1263 89.8697 759622.1275 -0.0485 -0.1497 PRESSURE: 3873400 -205.797 75.34 54.2691 75.3401 -572.881 -185.003 54.2692 -185.004 28.4927 GPRESSURE: 3873400 -170.131 152.8 73.5407 126.432 -525.265 -277.026 78.0099 -162.366 27.0133 PRESSAVG: 3873400 11.207 17.3748 -0.27981 17.3747 6.93596 -52.007 -0.279815 -52.007 -4.40126 GPRESSAVG: 3873400 11.5506 17.9426 -1.39162 19.6198 6.82457 -51.7618 -2.17354 -52.5225 -4.74837 TIMING: 3873400 CPU: 12247.2, 0.00316684/step Wall: 12247.2, 0.00316684/step, 0.991045 hours remaining, 239.437500 MB of memory in use. ENERGY: 3873400 3993.3804 20371.9561 14447.8493 268.2703 -203457.3008 2575.8492 0.0000 0.0000 52050.1229 -109749.8726 299.1328 -161799.9956 -109383.7261 299.2441 -250.0619 -222.7943 761612.7017 4.5806 4.5423 PRESSURE: 3873600 66.0594 -77.7718 237.888 -77.7724 -280.702 -17.8618 237.886 -17.8628 -151.915 GPRESSURE: 3873600 -20.3588 -165.632 196.367 -1.05229 -261.458 -113.542 74.8829 19.5384 4.66027 PRESSAVG: 3873600 56.6917 14.3355 37.3694 14.3354 -31.26 -56.4818 37.3694 -56.4818 -10.4046 GPRESSAVG: 3873600 57.7715 14.5759 38.3401 12.5122 -32.8955 -56.7952 35.9506 -55.8649 -9.94923 TIMING: 3873600 CPU: 12247.8, 0.00317411/step Wall: 12247.8, 0.00317411/step, 0.993145 hours remaining, 239.437500 MB of memory in use. ENERGY: 3873600 3971.1821 20438.5052 14357.0255 255.5528 -202887.4464 2249.0290 0.0000 0.0000 51809.4023 -109806.7495 297.7493 -161616.1518 -109451.8131 298.5225 -122.1861 -92.3855 761879.6627 5.0090 4.9756 PRESSURE: 3873800 -34.9353 -60.319 62.2746 -60.3189 -94.1183 -133.172 62.274 -133.173 158.9 GPRESSURE: 3873800 -44.4342 -68.9491 147.865 -26.1815 -5.29662 -159.962 124.147 -10.171 165.301 PRESSAVG: 3873800 30.8077 13.2086 27.8996 13.2087 -33.2304 14.0352 27.8996 14.0351 6.73672 GPRESSAVG: 3873800 30.2986 12.6857 26.8749 13.1594 -32.138 14.8657 28.1868 14.5097 6.3452 TIMING: 3873800 CPU: 12248.5, 0.00316396/step Wall: 12248.5, 0.00316396/step, 0.989793 hours remaining, 239.437500 MB of memory in use. ENERGY: 3873800 3915.7624 20604.5598 14390.8181 237.6884 -203501.3142 2711.6424 0.0000 0.0000 51886.1068 -109754.7364 298.1902 -161640.8432 -109388.8310 298.6683 9.9488 38.5233 761237.7222 1.4380 1.5019 PRESSURE: 3874000 -353.927 -74.8485 -294.067 -74.8481 -280.95 202.776 -294.067 202.776 -72.2401 GPRESSURE: 3874000 -284.198 -86.9291 -211.544 -91.7256 -228.281 83.0855 -249.038 215.668 -92.5153 PRESSAVG: 3874000 -19.67 -60.9492 -9.53398 -60.9491 33.8079 33.298 -9.53399 33.298 -2.76195 GPRESSAVG: 3874000 -20.8915 -61.608 -9.43518 -60.6499 33.5093 32.6695 -8.5366 33.0275 -1.57928 TIMING: 3874000 CPU: 12249.1, 0.00315442/step Wall: 12249.1, 0.00315442/step, 0.986634 hours remaining, 239.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3874000 3985.2861 20507.7572 14465.1020 235.1977 -203383.2163 2382.0295 0.0000 0.0000 52256.2077 -109551.6361 300.3171 -161807.8438 -109192.6252 299.0706 -235.7054 -201.6647 761429.2681 3.7920 3.6795 PRESSURE: 3874200 -74.7721 58.67 -191.918 58.6692 -270.415 -28.9747 -191.918 -28.9742 278.081 GPRESSURE: 3874200 -32.4038 -23.3804 -141.172 49.8426 -265.097 -6.15353 -148.736 24.23 333.741 PRESSAVG: 3874200 -66.3424 -32.9904 1.5575 -32.9905 35.8831 11.4487 1.55748 11.4487 1.56242 GPRESSAVG: 3874200 -67.8279 -31.5862 1.85817 -32.5731 38.6984 11.0229 0.760241 11.4493 0.20223 TIMING: 3874200 CPU: 12249.7, 0.00317997/step Wall: 12249.7, 0.00317997/step, 0.994446 hours remaining, 239.437500 MB of memory in use. ENERGY: 3874200 3946.9012 20666.3635 14401.1981 240.0841 -203180.2025 2405.6002 0.0000 0.0000 52115.7855 -109404.2699 299.5101 -161520.0554 -109043.0635 299.9259 -22.3686 12.0802 761429.2821 -9.6323 -9.6424 PRESSURE: 3874400 -120.611 -28.0082 144.939 -28.0072 77.0295 -43.3112 144.94 -43.3118 145.59 GPRESSURE: 3874400 -59.9272 -55.9755 147.131 8.387 109.162 -57.2489 226.794 -158.392 156.939 PRESSAVG: 3874400 17.9796 -56.6659 -14.1004 -56.6659 -40.6898 8.04669 -14.1004 8.04663 -25.4731 GPRESSAVG: 3874400 20.0864 -55.4253 -14.9407 -57.3207 -42.843 7.55621 -13.348 9.26088 -26.2405 TIMING: 3874400 CPU: 12250.4, 0.00317608/step Wall: 12250.4, 0.00317608/step, 0.993056 hours remaining, 239.437500 MB of memory in use. ENERGY: 3874400 3975.0718 20424.1950 14353.4915 245.4623 -203269.9528 2412.0725 0.0000 0.0000 52286.9650 -109572.6947 300.4939 -161859.6597 -109205.3184 299.2223 34.0026 68.7247 760621.7071 -16.0611 -16.3324 PRESSURE: 3874600 -124.757 -148.994 -233.078 -148.993 156.168 81.1252 -233.079 81.1254 -236.964 GPRESSURE: 3874600 -89.2214 -169.055 -212.939 -97.5586 181.097 144.027 -172.724 25.9403 -205.087 PRESSAVG: 3874600 -17.8454 -69.6585 30.769 -69.6586 28.1547 19.2256 30.769 19.2257 9.98376 GPRESSAVG: 3874600 -18.9029 -71.2426 32.6164 -70.6844 27.4076 20.1758 29.0782 17.422 11.5765 TIMING: 3874600 CPU: 12251, 0.00318295/step Wall: 12251, 0.00318295/step, 0.995024 hours remaining, 239.437500 MB of memory in use. ENERGY: 3874600 4097.9483 20559.3638 14289.9862 220.9985 -203412.1076 2460.9026 0.0000 0.0000 52139.4268 -109643.4814 299.6460 -161782.9081 -109284.4672 299.6765 -68.5175 -37.7372 759857.3487 6.7644 6.6937 PRESSURE: 3874800 337.171 -81.5526 69.7121 -81.5522 49.542 4.9833 69.7125 4.98293 269.814 GPRESSURE: 3874800 351.934 -79.8125 63.1202 -126.368 116.851 -51.1889 148.247 -6.36447 271.394 PRESSAVG: 3874800 20.8193 -92.4387 -40.4916 -92.4388 -3.21445 -41.5395 -40.4917 -41.5395 9.19877 GPRESSAVG: 3874800 20.8059 -93.0957 -41.8596 -91.0928 -2.16719 -41.4724 -37.9398 -41.8715 7.98486 TIMING: 3874800 CPU: 12251.6, 0.0031752/step Wall: 12251.6, 0.0031752/step, 0.992425 hours remaining, 239.437500 MB of memory in use. ENERGY: 3874800 4027.5145 20363.0611 14399.9815 240.7259 -203170.3020 2534.2085 0.0000 0.0000 52005.7817 -109599.0287 298.8779 -161604.8105 -109234.4762 299.3867 218.8422 246.7264 759953.1552 8.9345 8.8745 PRESSURE: 3875000 -122.551 -37.6009 68.7153 -37.6005 -78.705 68.9537 68.7146 68.9538 127.316 GPRESSURE: 3875000 -62.7065 40.9125 102.878 34.1711 -48.5209 -14.2666 188.068 130.428 128.605 PRESSAVG: 3875000 23.9464 -38.3767 -40.1434 -38.3767 -27.5236 -20.3617 -40.1434 -20.3617 11.0778 GPRESSAVG: 3875000 24.2675 -37.5138 -41.6046 -38.3271 -27.568 -19.7354 -41.4161 -19.1256 10.4387 TIMING: 3875000 CPU: 12252.3, 0.00316604/step Wall: 12252.3, 0.00316604/step, 0.989388 hours remaining, 239.437500 MB of memory in use. ENERGY: 3875000 3954.7841 20425.2231 14369.3388 237.5809 -203128.2621 2385.5841 0.0000 0.0000 52230.6273 -109525.1237 300.1701 -161755.7510 -109169.4643 299.2521 -24.6464 5.7925 761545.3511 2.5002 2.3794 PRESSURE: 3875200 121.916 112.689 -181.152 112.688 -110.258 155.322 -181.151 155.322 225.518 GPRESSURE: 3875200 105.5 70.9052 -253.544 68.1362 -95.0399 170.992 -79.2801 167.692 296.596 PRESSAVG: 3875200 2.50192 11.4099 -42.2809 11.4099 -34.3701 21.7888 -42.281 21.7888 -23.9569 GPRESSAVG: 3875200 2.1319 11.609 -40.4985 11.6964 -35.2629 21.0524 -42.9766 20.1709 -22.67 TIMING: 3875200 CPU: 12252.9, 0.00313982/step Wall: 12252.9, 0.00313982/step, 0.98102 hours remaining, 239.437500 MB of memory in use. ENERGY: 3875200 3946.2201 20357.9567 14330.6998 246.8486 -203354.5632 2697.5357 0.0000 0.0000 52144.2004 -109631.1020 299.6734 -161775.3024 -109276.4922 298.9106 79.0586 102.3518 761730.5814 -18.6084 -18.6003 PRESSURE: 3875400 -228.438 -146.509 227.425 -146.509 58.3319 -152.949 227.425 -152.95 -407.377 GPRESSURE: 3875400 -246.221 -23.4395 254.448 -62.0154 107.956 -146.819 181.666 -110.21 -356.9 PRESSAVG: 3875400 20.2482 25.8917 -17.1699 25.8916 49.9679 -9.90687 -17.1699 -9.90681 -5.77505 GPRESSAVG: 3875400 19.5082 26.4145 -17.2025 24.867 50.2383 -10.5792 -16.5115 -10.6247 -5.55801 TIMING: 3875400 CPU: 12253.5, 0.00315188/step Wall: 12253.5, 0.00315188/step, 0.984612 hours remaining, 239.437500 MB of memory in use. ENERGY: 3875400 3989.9668 20399.9939 14356.3115 236.6505 -203204.9982 2456.1103 0.0000 0.0000 51973.5045 -109792.4608 298.6924 -161765.9653 -109432.7354 298.7813 -192.4943 -165.0551 760093.0263 21.4803 21.3962 PRESSURE: 3875600 -472.319 65.0433 -74.9611 65.0431 -138.732 93.1091 -74.9615 93.1079 102.716 GPRESSURE: 3875600 -409.751 125.037 -72.3264 109.359 -90.0524 87.6771 -21.8889 124.342 86.035 PRESSAVG: 3875600 -56.0334 19.4639 30.502 19.4639 2.96107 -51.2429 30.5019 -51.2429 14.4978 GPRESSAVG: 3875600 -54.66 18.9131 29.1005 19.8102 2.59044 -50.6733 31.9726 -49.736 13.554 TIMING: 3875600 CPU: 12254.2, 0.00314693/step Wall: 12254.2, 0.00314693/step, 0.982892 hours remaining, 239.437500 MB of memory in use. ENERGY: 3875600 3952.9356 20403.9745 14390.1704 232.6892 -203312.0707 2457.9968 0.0000 0.0000 52141.0084 -109733.2958 299.6551 -161874.3042 -109357.5668 298.4797 -169.4452 -137.9228 762465.1210 -12.8582 -12.8385 PRESSURE: 3875800 112.931 4.41201 -94.9464 4.41257 66.7706 52.0924 -94.9463 52.091 161.918 GPRESSURE: 3875800 263.359 46.6893 -93.1979 101.777 -43.4849 138.677 16.8532 44.8644 199.31 PRESSAVG: 3875800 12.2361 -1.23879 37.3098 -1.23873 -15.7128 1.1485 37.3098 1.14843 33.2115 GPRESSAVG: 3875800 11.7008 -0.552792 37.9875 -2.5762 -15.0844 -0.761989 36.9161 2.01839 32.8858 TIMING: 3875800 CPU: 12254.8, 0.00314372/step Wall: 12254.8, 0.00314372/step, 0.981714 hours remaining, 239.437500 MB of memory in use. ENERGY: 3875800 3963.3657 20415.4970 14399.9905 255.5592 -203381.7059 2716.2927 0.0000 0.0000 52179.3978 -109451.6030 299.8757 -161631.0008 -109090.2460 299.1910 113.8732 139.7282 761603.5245 9.9116 9.8340 PRESSURE: 3876000 140.138 -137.742 -72.3693 -137.742 -110.758 2.25126 -72.3697 2.25214 100.426 GPRESSURE: 3876000 141.605 -181.56 -26.9308 -205.144 -23.3528 69.5141 -90.7267 -48.6563 105.462 PRESSAVG: 3876000 13.9665 -64.517 -61.9759 -64.517 -2.80307 1.91686 -61.9758 1.91684 -0.986827 GPRESSAVG: 3876000 14.7194 -65.3006 -61.0921 -63.2079 -3.34062 4.04045 -61.2705 0.807349 -0.830565 TIMING: 3876000 CPU: 12255.4, 0.00317022/step Wall: 12255.4, 0.00317022/step, 0.989813 hours remaining, 239.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3876000 3942.4719 20583.4911 14275.6859 234.8444 -202821.5591 2316.4376 0.0000 0.0000 51977.7590 -109490.8694 298.7169 -161468.6283 -109122.7783 299.2298 43.2684 74.5714 760876.9955 3.3922 3.5161 PRESSURE: 3876200 -371.952 25.5715 -274.767 25.5713 -54.7571 30.8465 -274.767 30.846 -127.391 GPRESSURE: 3876200 -242.873 -74.3816 -255.012 1.79078 -10.3656 42.1095 -188.485 -78.1445 -224.507 PRESSAVG: 3876200 13.0915 -38.9611 -22.2937 -38.9611 -13.478 -21.7095 -22.2937 -21.7095 8.88385 GPRESSAVG: 3876200 12.7055 -39.1454 -22.495 -39.2446 -13.6564 -21.9004 -24.6754 -23.6393 9.93686 TIMING: 3876200 CPU: 12256, 0.00314131/step Wall: 12256, 0.00314131/step, 0.980614 hours remaining, 239.437500 MB of memory in use. ENERGY: 3876200 4061.4021 20471.3172 14345.9722 244.3932 -203220.2740 2436.3973 0.0000 0.0000 52256.2136 -109404.5784 300.3172 -161660.7920 -109050.5905 299.1704 -184.7002 -159.2486 760890.7036 2.8324 2.9953 LDB: ============= START OF LOAD BALANCING ============== 12268.4 LDB: ============== END OF LOAD BALANCING =============== 12268.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12268.4 LDB: ============= START OF LOAD BALANCING ============== 12268.8 LDB: Largest compute 7078 load 0.034311 is 17.5% of average load 0.196053 LDB: Average compute 0.004387 is 2.2% of average load 0.196053 LDB: TIME 12268.8 LOAD: AVG 0.196053 MAX 0.218417 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.016 MB LDB: TIME 12268.8 LOAD: AVG 0.196053 MAX 0.218417 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.016 MB LDB: TIME 12268.8 LOAD: AVG 0.196053 MAX 0.218417 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.016 MB LDB: ============== END OF LOAD BALANCING =============== 12268.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12268.8 PRESSURE: 3876400 139.209 68.0065 19.0909 68.0068 23.7231 -106.133 19.091 -106.133 -366.162 GPRESSURE: 3876400 88.1633 -29.8766 58.9222 104.571 113.916 -108.264 15.9813 -49.2593 -338.469 PRESSAVG: 3876400 16.0219 -2.42783 -31.39 -2.42788 0.496692 28.3053 -31.39 28.3055 10.5357 GPRESSAVG: 3876400 15.0066 -3.19502 -32.0525 -2.93158 1.64611 27.7927 -31.374 28.4976 9.6108 TIMING: 3876400 CPU: 12256.7, 0.00322762/step Wall: 12256.7, 0.00322762/step, 1.00738 hours remaining, 238.398438 MB of memory in use. ENERGY: 3876400 3939.1513 20518.5899 14371.6317 224.1852 -203350.3215 2454.3020 0.0000 0.0000 52283.9295 -109558.5319 300.4765 -161842.4614 -109195.5900 299.2462 -67.7432 -45.4634 760832.6961 9.0181 8.7545 PRESSURE: 3876600 46.543 -115.162 -227.152 -115.163 30.4199 179.609 -227.152 179.609 56.567 GPRESSURE: 3876600 36.3958 -179.233 -200.535 -103.576 -12.9917 91.9875 -216.374 243.842 178.385 PRESSAVG: 3876600 7.52592 4.60214 52.2894 4.60219 9.7524 -13.8045 52.2895 -13.8045 -15.3923 GPRESSAVG: 3876600 8.63919 4.11026 51.7309 5.81618 7.96763 -13.3954 53.2695 -11.6182 -14.7083 TIMING: 3876600 CPU: 12257.3, 0.00315976/step Wall: 12257.3, 0.00315976/step, 0.986019 hours remaining, 238.398438 MB of memory in use. ENERGY: 3876600 3964.0343 20465.5311 14398.8761 236.9322 -203554.9271 2644.2155 0.0000 0.0000 52281.3919 -109563.9459 300.4619 -161845.3378 -109203.1164 299.6434 44.5100 67.2631 760485.0068 0.6287 0.6328 PRESSURE: 3876800 -37.3919 -17.371 -108.77 -17.3704 -114.558 -83.7412 -108.77 -83.7417 112.672 GPRESSURE: 3876800 -52.0883 16.0992 -166.028 25.8671 -54.7605 -71.2352 76.6817 -129.712 170.575 PRESSAVG: 3876800 32.0147 -32.6164 6.96182 -32.6163 -22.4421 74.0488 6.96182 74.0488 25.9742 GPRESSAVG: 3876800 31.7432 -32.4393 7.68693 -33.2646 -22.2245 73.8784 5.66956 72.9226 25.7883 TIMING: 3876800 CPU: 12258, 0.00315067/step Wall: 12258, 0.00315067/step, 0.983008 hours remaining, 238.398438 MB of memory in use. ENERGY: 3876800 3934.7956 20439.9247 14432.7400 259.7442 -203253.1132 2459.2204 0.0000 0.0000 51982.7802 -109743.9081 298.7458 -161726.6883 -109383.4473 298.7289 -13.0924 21.2420 761516.5304 11.8489 11.7690 PRESSURE: 3877000 7.6502 -84.0949 -56.2464 -84.0946 -177.492 113.439 -56.2459 113.438 -102.974 GPRESSURE: 3877000 -43.4779 -60.2723 -94.9989 -63.8541 -41.4432 219.024 -55.7651 39.9803 -83.3658 PRESSAVG: 3877000 33.0097 -2.82772 -70.5514 -2.82776 -37.5219 34.6064 -70.5514 34.6065 -5.3649 GPRESSAVG: 3877000 32.9563 -3.64629 -70.8709 -1.70941 -36.7911 35.7048 -69.4828 35.7169 -5.91974 TIMING: 3877000 CPU: 12258.6, 0.00314796/step Wall: 12258.6, 0.00314797/step, 0.98199 hours remaining, 238.398438 MB of memory in use. ENERGY: 3877000 4021.1589 20332.2161 14434.6722 237.9757 -203379.9262 2595.2419 0.0000 0.0000 51974.4660 -109784.1954 298.6980 -161758.6614 -109424.4251 299.0069 -90.9388 -56.0956 761291.1806 -3.2924 -3.2515 PRESSURE: 3877200 -166.004 130.227 198.248 130.225 -155.512 147.454 198.248 147.454 -78.6049 GPRESSURE: 3877200 -119.414 129.871 279.191 91.2113 -110.923 124.752 82.5472 33.3849 -108.276 PRESSAVG: 3877200 9.94374 -29.7631 -48.3824 -29.7631 6.13516 37.252 -48.3824 37.2521 6.09935 GPRESSAVG: 3877200 10.3426 -28.3797 -47.3697 -29.8653 6.97879 35.2559 -51.6083 35.5727 5.00105 TIMING: 3877200 CPU: 12259.2, 0.00316249/step Wall: 12259.2, 0.00316249/step, 0.986344 hours remaining, 238.398438 MB of memory in use. ENERGY: 3877200 3941.2346 20579.3673 14412.8744 260.1909 -203107.0100 2297.4482 0.0000 0.0000 51782.7966 -109833.0980 297.5964 -161615.8946 -109479.6533 298.6862 -133.3734 -112.8711 761439.8501 7.3927 7.4408 PRESSURE: 3877400 -162.823 15.57 -400.236 15.5704 -164.858 92.4004 -400.235 92.4 -68.9203 GPRESSURE: 3877400 -124.528 79.1085 -321.285 21.5671 -206.035 57.7259 -287.487 151.087 21.5658 PRESSAVG: 3877400 66.1134 9.17809 -47.7463 9.17806 -75.0279 6.67091 -47.7464 6.67097 9.83172 GPRESSAVG: 3877400 66.9202 10.0733 -48.3656 8.54452 -76.1203 5.70914 -45.9307 8.31324 10.412 TIMING: 3877400 CPU: 12259.9, 0.00317428/step Wall: 12259.9, 0.00317427/step, 0.989845 hours remaining, 238.398438 MB of memory in use. ENERGY: 3877400 3940.6582 20346.8453 14343.5594 241.6620 -203215.9541 2598.3034 0.0000 0.0000 51920.4289 -109824.4970 298.3874 -161744.9259 -109465.0503 298.6476 -132.2005 -102.9991 762365.7806 0.3058 0.4040 PRESSURE: 3877600 669.204 -151.364 229.133 -151.363 250.617 -38.0563 229.134 -38.0549 495.591 GPRESSURE: 3877600 682.303 -223.8 251.154 -97.9662 302.585 -40.6957 255.312 -197.529 510.856 PRESSAVG: 3877600 16.5353 -11.3096 -53.7988 -11.3096 -11.713 -7.71975 -53.7988 -7.71977 31.9765 GPRESSAVG: 3877600 16.032 -9.31576 -53.9621 -10.7261 -12.9681 -6.2099 -52.2608 -7.77711 33.699 TIMING: 3877600 CPU: 12260.5, 0.00314529/step Wall: 12260.5, 0.00314529/step, 0.980631 hours remaining, 238.398438 MB of memory in use. ENERGY: 3877600 3903.1925 20526.3607 14412.8706 233.9053 -203820.1812 2978.9239 0.0000 0.0000 51926.2086 -109838.7195 298.4206 -161764.9281 -109483.4493 298.5380 471.8042 498.5812 759784.0757 12.2663 12.2543 PRESSURE: 3877800 319.972 12.2532 98.2468 12.253 182.395 -63.018 98.2477 -63.0181 83.8876 GPRESSURE: 3877800 349.311 105.21 142.23 -43.3215 198.279 -78.6342 -43.7714 10.9644 126.29 PRESSAVG: 3877800 25.0497 -48.161 -19.2139 -48.161 6.72175 -6.4774 -19.2139 -6.47733 6.27805 GPRESSAVG: 3877800 27.011 -50.7143 -17.2075 -49.4138 5.73565 -5.06383 -20.2826 -6.5821 5.93499 TIMING: 3877800 CPU: 12261.1, 0.00316105/step Wall: 12261.1, 0.00316105/step, 0.985368 hours remaining, 238.398438 MB of memory in use. ENERGY: 3877800 3945.9423 20374.1192 14377.5523 265.1718 -203532.8291 2776.0127 0.0000 0.0000 52012.6214 -109781.4094 298.9172 -161794.0307 -109432.1988 298.8694 195.4180 224.6268 760080.5803 12.6832 12.8939 PRESSURE: 3878000 186.977 -148.679 -56.7168 -148.678 -66.6681 84.337 -56.717 84.3376 -50.3507 GPRESSURE: 3878000 209.101 -160.207 -87.3019 -29.7395 -12.1618 30.4291 -24.568 0.525159 -62.9359 PRESSAVG: 3878000 -29.9192 -40.8654 -54.7101 -40.8653 10.2557 38.5567 -54.7101 38.5567 23.4002 GPRESSAVG: 3878000 -31.2638 -42.1437 -56.1647 -38.3316 12.6058 36.5816 -54.9907 39.4729 22.3765 TIMING: 3878000 CPU: 12261.7, 0.00316105/step Wall: 12261.7, 0.00316105/step, 0.985194 hours remaining, 238.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3878000 3972.5391 20312.8779 14406.9683 264.3843 -203300.1963 2535.8105 0.0000 0.0000 52178.4413 -109629.1748 299.8702 -161807.6161 -109265.1793 298.6517 23.3194 44.6678 760077.4236 1.2456 1.2395 PRESSURE: 3878200 48.3624 82.2932 266.247 82.2938 36.599 123.595 266.247 123.595 90.962 GPRESSURE: 3878200 49.3677 -49.5083 226.407 24.8986 73.0624 78.436 312.898 66.6591 131.012 PRESSAVG: 3878200 12.8866 -35.2881 -8.33076 -35.2881 -17.3855 -2.35486 -8.3308 -2.3548 -16.9753 GPRESSAVG: 3878200 12.8231 -33.3033 -7.62711 -37.2424 -17.4246 -0.383642 -8.54343 -4.26408 -17.0038 TIMING: 3878200 CPU: 12262.4, 0.0031898/step Wall: 12262.4, 0.0031898/step, 0.993976 hours remaining, 238.398438 MB of memory in use. ENERGY: 3878200 4009.5185 20485.0921 14361.4828 239.9673 -203360.3440 2588.4310 0.0000 0.0000 52099.1720 -109576.6802 299.4147 -161675.8522 -109203.5258 299.1378 58.6411 84.4808 760241.6040 -7.1581 -7.2018 PRESSURE: 3878400 154.197 -243.446 -18.0035 -243.446 62.5831 -129.352 -18.0043 -129.351 141.565 GPRESSURE: 3878400 177.301 -252.138 -28.1131 -220.801 97.7631 -107.892 -67.4626 -140.046 161.928 PRESSAVG: 3878400 -41.4218 -23.095 22.4758 -23.095 22.0087 -29.8364 22.4757 -29.8364 -0.656117 GPRESSAVG: 3878400 -41.5557 -24.4021 20.6419 -22.3792 21.9515 -30.7201 24.5317 -30.3587 -0.385886 TIMING: 3878400 CPU: 12263, 0.0031858/step Wall: 12263, 0.0031858/step, 0.992555 hours remaining, 238.398438 MB of memory in use. ENERGY: 3878400 4000.0915 20606.7385 14272.4168 248.0715 -203427.9033 2588.3484 0.0000 0.0000 52261.3746 -109450.8620 300.3468 -161712.2367 -109086.6594 299.6861 119.4482 145.6640 761655.0454 -6.6897 -6.6633 PRESSURE: 3878600 -12.8543 -298.994 -2.6034 -298.994 38.385 7.94549 -2.60345 7.94556 143.711 GPRESSURE: 3878600 97.4826 -161.103 -28.5901 -268.645 60.8093 -16.8789 -11.3299 -49.4184 83.2416 PRESSAVG: 3878600 45.5596 -33.6133 -9.6744 -33.6133 -26.4082 -14.0263 -9.67436 -14.0264 -2.28868 GPRESSAVG: 3878600 44.9209 -33.4774 -8.03104 -32.5866 -26.2547 -13.957 -10.762 -14.0484 -1.99066 TIMING: 3878600 CPU: 12263.7, 0.00321453/step Wall: 12263.7, 0.00321453/step, 1.00132 hours remaining, 238.398438 MB of memory in use. ENERGY: 3878600 3955.0340 20476.8652 14383.0853 246.8808 -203113.9475 2421.1884 0.0000 0.0000 52185.1887 -109445.7051 299.9090 -161630.8938 -109081.1356 299.8159 56.4139 80.5112 758373.2569 5.6209 5.5585 PRESSURE: 3878800 -128.858 -114.037 170.574 -114.038 8.92555 146.956 170.573 146.956 -174.272 GPRESSURE: 3878800 -88.4808 -45.752 51.9548 -117.031 -27.2134 135.099 94.378 228.615 -72.3212 PRESSAVG: 3878800 30.7742 -88.4491 -18.5004 -88.4491 -14.6203 -14.6609 -18.5004 -14.6608 23.8581 GPRESSAVG: 3878800 30.3745 -86.8039 -20.7553 -90.5819 -15.1276 -14.6708 -19.6676 -11.6209 25.3382 TIMING: 3878800 CPU: 12264.3, 0.00320947/step Wall: 12264.3, 0.00320947/step, 0.999572 hours remaining, 238.398438 MB of memory in use. ENERGY: 3878800 3974.1193 20598.8683 14385.9668 240.1534 -203484.1600 2520.3218 0.0000 0.0000 52080.8695 -109683.8610 299.3095 -161764.7304 -109319.4004 299.7493 -98.0680 -62.6718 762011.8168 13.3373 13.5284 PRESSURE: 3879000 186.436 124.371 -47.5856 124.372 -15.7537 -14.746 -47.5846 -14.7463 39.9738 GPRESSURE: 3879000 202.203 -15.3362 -29.7824 149.374 81.8824 -36.838 -101.903 -6.4089 28.5854 PRESSAVG: 3879000 -7.67155 -51.8942 -35.008 -51.8943 0.796778 2.00474 -35.0081 2.00478 8.01354 GPRESSAVG: 3879000 -5.44465 -53.7849 -34.5969 -49.7264 0.0851117 0.17065 -32.8816 2.1624 6.59906 TIMING: 3879000 CPU: 12264.9, 0.00317527/step Wall: 12264.9, 0.00317527/step, 0.988743 hours remaining, 238.398438 MB of memory in use. ENERGY: 3879000 3953.4993 20628.2468 14444.0271 250.5329 -203639.6048 2759.7607 0.0000 0.0000 52069.2318 -109534.3062 299.2426 -161603.5380 -109163.5575 299.5508 70.2189 104.2236 762132.8076 0.3796 0.4132 PRESSURE: 3879200 -178.311 -116.064 -115.307 -116.064 195.705 -249.527 -115.307 -249.527 -140.101 GPRESSURE: 3879200 -153.785 -193.95 18.7106 43.901 231.432 -262.419 -89.3457 -161.69 -112.314 PRESSAVG: 3879200 -5.02751 -78.375 -43.9598 -78.375 3.77266 1.70793 -43.9599 1.70803 -11.399 GPRESSAVG: 3879200 -6.75597 -79.0246 -43.1863 -79.8824 3.35606 1.7971 -45.7827 1.28568 -9.66309 TIMING: 3879200 CPU: 12265.6, 0.00317973/step Wall: 12265.6, 0.00317973/step, 0.989956 hours remaining, 238.398438 MB of memory in use. ENERGY: 3879200 3973.9453 20448.2320 14460.2812 248.6329 -203471.0924 2528.6609 0.0000 0.0000 52339.8999 -109471.4403 300.7981 -161811.3401 -109101.9081 299.5616 -40.9024 -11.5556 760292.4142 -4.2179 -4.3543 PRESSURE: 3879400 158.949 201.467 -133.93 201.467 68.6697 162.405 -133.929 162.406 270.444 GPRESSURE: 3879400 204.812 173.435 -124.403 312.008 74.7816 118.853 -54.6003 166.96 283.115 PRESSAVG: 3879400 31.9502 -6.88378 -14.3647 -6.88381 27.289 15.3343 -14.3647 15.3343 2.11089 GPRESSAVG: 3879400 32.5212 -7.09971 -15.7442 -5.6859 28.7056 15.5922 -14.5786 15.5948 0.177572 TIMING: 3879400 CPU: 12266.2, 0.00319148/step Wall: 12266.2, 0.00319148/step, 0.993436 hours remaining, 238.398438 MB of memory in use. ENERGY: 3879400 3988.0333 20523.4869 14461.2903 245.1176 -203389.7273 2573.5931 0.0000 0.0000 52002.4508 -109595.7552 298.8588 -161598.2060 -109222.4821 299.3241 166.0210 187.5694 761230.1070 20.4500 20.4681 PRESSURE: 3879600 70.054 -119.887 114.084 -119.886 -110.433 271.18 114.084 271.18 240.505 GPRESSURE: 3879600 136.908 -5.89153 73.743 -121.658 -91.0735 295.082 -20.639 130.634 244.497 PRESSAVG: 3879600 -13.108 -32.0101 -19.8935 -32.0101 17.0284 48.444 -19.8935 48.444 4.46721 GPRESSAVG: 3879600 -12.3497 -29.8185 -16.8333 -32.445 15.6822 46.7352 -20.9374 47.486 4.93444 TIMING: 3879600 CPU: 12266.8, 0.00314382/step Wall: 12266.8, 0.00314382/step, 0.978426 hours remaining, 238.398438 MB of memory in use. ENERGY: 3879600 3953.6667 20334.6847 14432.5418 257.4056 -203552.4372 2750.5961 0.0000 0.0000 52092.9495 -109730.5928 299.3789 -161823.5423 -109367.7262 298.7900 66.7087 96.7771 760827.2386 2.7959 2.7556 PRESSURE: 3879800 -230.17 10.9765 -183.743 10.9772 151.364 4.90152 -183.743 4.90176 -53.9343 GPRESSURE: 3879800 -234.471 17.3335 -168.427 -52.0311 219.584 80.1724 -147.56 -70.9211 -14.0463 PRESSAVG: 3879800 -4.31064 -43.0802 -42.0909 -43.0802 -10.0324 -26.0814 -42.0909 -26.0815 3.23985 GPRESSAVG: 3879800 -4.40036 -46.2519 -45.2191 -41.8498 -8.62191 -23.7156 -39.1466 -26.668 2.00695 TIMING: 3879800 CPU: 12267.5, 0.0031508/step Wall: 12267.5, 0.0031508/step, 0.980422 hours remaining, 238.398438 MB of memory in use. ENERGY: 3879800 3949.1477 20570.5148 14430.7358 256.0098 -203658.6993 2807.7500 0.0000 0.0000 52029.4012 -109615.1401 299.0137 -161644.5413 -109247.5075 298.7360 -44.2465 -9.6445 759632.5393 -3.7011 -3.6718 PRESSURE: 3880000 -345.977 26.1201 94.2999 26.1197 -161.265 -50.6577 94.3001 -50.6578 282.651 GPRESSURE: 3880000 -291.232 87.103 100.446 -11.41 -183.737 -3.33975 178.899 47.9274 338.074 PRESSAVG: 3880000 22.1695 22.0708 26.7971 22.0707 -8.44662 24.0921 26.7972 24.0921 -7.08671 GPRESSAVG: 3880000 22.3034 22.4366 29.913 20.3792 -9.37968 23.3479 26.2337 25.132 -6.55049 TIMING: 3880000 CPU: 12268.1, 0.00316037/step Wall: 12268.1, 0.00316037/step, 0.983226 hours remaining, 238.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3880000 4025.8129 20517.0543 14496.9542 264.4761 -203936.0030 2937.4801 0.0000 0.0000 52039.0196 -109655.2058 299.0690 -161694.2254 -109292.9283 299.3534 -74.8637 -45.6318 759326.0176 2.2120 2.1244 PRESSURE: 3880200 225.513 -20.1121 -132.33 -20.1137 97.3032 76.0233 -132.33 76.0232 73.4074 GPRESSURE: 3880200 287.35 -69.0886 -206.144 -63.433 125.191 44.434 -10.8816 -29.4107 65.2251 PRESSAVG: 3880200 -31.9278 -60.3399 -45.0824 -60.34 36.3288 22.4704 -45.0825 22.4705 8.0971 GPRESSAVG: 3880200 -32.9579 -58.7183 -46.6018 -60.2704 36.9894 22.5301 -45.9086 22.1375 8.09269 TIMING: 3880200 CPU: 12268.7, 0.00315585/step Wall: 12268.7, 0.00315585/step, 0.981644 hours remaining, 238.398438 MB of memory in use. ENERGY: 3880200 3868.2924 20379.5110 14473.8264 249.4055 -203432.5903 2454.3163 0.0000 0.0000 52111.7141 -109895.5245 299.4867 -162007.2386 -109529.7251 298.5489 132.0746 159.2554 758840.9350 4.1661 4.0414 LDB: ============= START OF LOAD BALANCING ============== 12281.1 LDB: ============== END OF LOAD BALANCING =============== 12281.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12281.1 LDB: ============= START OF LOAD BALANCING ============== 12281.5 LDB: Largest compute 7068 load 0.031418 is 16.0% of average load 0.196055 LDB: Average compute 0.004404 is 2.2% of average load 0.196055 LDB: TIME 12281.5 LOAD: AVG 0.196055 MAX 0.217369 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.66 MB LDB: TIME 12281.5 LOAD: AVG 0.196055 MAX 0.217369 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.664 MB LDB: TIME 12281.5 LOAD: AVG 0.196055 MAX 0.217369 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.664 MB LDB: ============== END OF LOAD BALANCING =============== 12281.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12281.5 PRESSURE: 3880400 167.516 181.317 64.7665 181.317 -91.4168 98.7597 64.7667 98.7582 381.584 GPRESSURE: 3880400 162.792 139.894 19.1363 -69.6166 -75.8742 106.868 122.577 22.7106 450.912 PRESSAVG: 3880400 -12.4349 -17.5787 -49.698 -17.5787 50.911 38.3709 -49.698 38.3708 25.2336 GPRESSAVG: 3880400 -11.5375 -18.9506 -50.9999 -18.0452 49.5901 39.3782 -48.7398 36.2574 25.7366 TIMING: 3880400 CPU: 12269.4, 0.00324984/step Wall: 12269.4, 0.00324985/step, 1.0107 hours remaining, 237.832031 MB of memory in use. ENERGY: 3880400 3922.5979 20504.6663 14506.6195 256.9949 -203570.5260 2649.9551 0.0000 0.0000 51751.6119 -109978.0803 297.4172 -161729.6922 -109625.8868 298.4101 152.5612 179.2768 760557.7295 21.2366 21.2630 PRESSURE: 3880600 -169.447 -114.456 47.2941 -114.456 -86.2609 10.9909 47.2948 10.9907 219.872 GPRESSURE: 3880600 -176.166 -115.562 78.1509 -79.8998 4.90003 -18.4718 47.8132 26.0046 229.744 PRESSAVG: 3880600 -38.5139 -45.7773 -16.8561 -45.7773 2.83484 9.53729 -16.8561 9.53726 7.05685 GPRESSAVG: 3880600 -37.957 -43.8703 -15.0274 -45.6911 3.43111 7.25533 -15.8143 8.96792 6.51271 TIMING: 3880600 CPU: 12270, 0.00315033/step Wall: 12270, 0.00315033/step, 0.979579 hours remaining, 237.832031 MB of memory in use. ENERGY: 3880600 3957.0280 20395.2882 14452.6391 236.1761 -203212.3932 2345.1356 0.0000 0.0000 52186.9166 -109639.2097 299.9189 -161826.1263 -109262.9300 298.7514 -11.9455 19.4927 760908.9943 -9.5407 -9.3377 PRESSURE: 3880800 -166.008 16.2838 49.3958 16.284 146.484 -19.3811 49.3955 -19.3806 226.081 GPRESSURE: 3880800 -63.916 7.6198 -35.4848 -7.38203 122.855 58.2337 40.8715 -73.9488 223.576 PRESSAVG: 3880800 -87.4598 -5.57704 -93.6733 -5.57701 83.057 -13.0766 -93.6733 -13.0765 -4.15901 GPRESSAVG: 3880800 -88.1369 -6.85637 -94.4216 -6.99555 82.776 -10.432 -96.2506 -9.82861 -3.88439 TIMING: 3880800 CPU: 12270.6, 0.00314693/step Wall: 12270.6, 0.00314693/step, 0.978346 hours remaining, 237.832031 MB of memory in use. ENERGY: 3880800 4005.5993 20445.7370 14485.9950 243.7691 -203415.4859 2705.2030 0.0000 0.0000 51773.5139 -109755.6687 297.5431 -161529.1825 -109393.0347 299.4762 68.8524 94.1715 760777.3037 -2.8540 -3.0818 PRESSURE: 3881000 -419.982 154.424 -86.4887 154.424 -143.65 5.22635 -86.4879 5.22618 84.5411 GPRESSURE: 3881000 -274.947 117.567 -25.8337 172.851 -214.092 32.7486 -146.929 64.276 88.1857 PRESSAVG: 3881000 -21.9271 -4.10632 -48.4026 -4.10624 70.2491 -28.5032 -48.4026 -28.5032 1.51078 GPRESSAVG: 3881000 -21.8002 -4.32418 -46.8982 -0.148812 69.7182 -30.3064 -49.3162 -28.873 1.63334 TIMING: 3881000 CPU: 12271.3, 0.00315026/step Wall: 12271.3, 0.00315026/step, 0.979207 hours remaining, 237.832031 MB of memory in use. ENERGY: 3881000 3976.1076 20591.9659 14392.6262 241.7639 -203120.3173 2385.1449 0.0000 0.0000 51849.4160 -109683.2926 297.9793 -161532.7087 -109315.5608 298.6430 -159.6969 -133.6180 761485.0392 16.6109 16.5171 PRESSURE: 3881200 43.2926 -3.92907 -144.188 -3.92938 141.186 244.653 -144.188 244.652 97.5834 GPRESSURE: 3881200 48.7393 -146.485 -51.7427 42.8226 119.04 235.029 -75.6961 127.002 202.285 PRESSAVG: 3881200 -30.7662 -65.0186 4.45879 -65.0186 6.71813 37.8764 4.45883 37.8764 -19.4288 GPRESSAVG: 3881200 -31.22 -65.243 3.42183 -65.9907 7.63862 38.1398 7.28457 35.8528 -19.7427 TIMING: 3881200 CPU: 12271.9, 0.00315714/step Wall: 12271.9, 0.00315714/step, 0.981168 hours remaining, 237.832031 MB of memory in use. ENERGY: 3881200 4008.3488 20497.3805 14421.3875 248.3569 -203289.4898 2556.6805 0.0000 0.0000 52023.1670 -109534.1687 298.9779 -161557.3357 -109174.3640 298.9384 94.0207 123.3546 759975.0520 -14.4923 -14.4414 PRESSURE: 3881400 288.444 60.3749 -8.29615 60.3754 -244.5 194.184 -8.29585 194.184 -458.033 GPRESSURE: 3881400 260.307 -43.3241 -11.542 90.1047 -247.958 153.556 113.573 187.08 -336.72 PRESSAVG: 3881400 9.42015 -54.7153 14.5127 -54.7153 20.887 80.7495 14.5128 80.7493 -5.17453 GPRESSAVG: 3881400 9.0357 -53.9956 15.3763 -55.8575 20.3517 80.1145 12.6175 82.2107 -5.14008 TIMING: 3881400 CPU: 12272.5, 0.00317323/step Wall: 12272.5, 0.00317323/step, 0.985993 hours remaining, 237.832031 MB of memory in use. ENERGY: 3881400 3981.8899 20405.1958 14432.9659 260.4451 -203564.7412 2592.2505 0.0000 0.0000 52313.3854 -109578.6086 300.6457 -161891.9941 -109218.9147 299.6523 -138.0296 -108.1237 761554.5876 8.3775 8.0824 PRESSURE: 3881600 -706.652 -156.584 64.394 -156.583 -812.59 -10.2904 64.3945 -10.2915 -73.1084 GPRESSURE: 3881600 -636.135 -130.78 83.894 -44.0465 -728.418 -61.988 80.4817 114.933 -134.967 PRESSAVG: 3881600 -28.8289 -61.4314 -2.59012 -61.4314 2.25967 -20.2764 -2.5901 -20.2764 0.173445 GPRESSAVG: 3881600 -28.9065 -61.8852 -3.5672 -59.0896 2.76572 -19.9006 -1.85489 -21.3455 -0.0884966 TIMING: 3881600 CPU: 12273.2, 0.00317326/step Wall: 12273.2, 0.00317326/step, 0.985828 hours remaining, 237.832031 MB of memory in use. ENERGY: 3881600 3966.8075 20573.2427 14443.9124 236.9125 -202735.3989 2112.6666 0.0000 0.0000 51867.1697 -109534.6876 298.0813 -161401.8572 -109165.1460 299.7309 -530.7835 -499.8401 760871.7230 -8.7986 -8.7431 PRESSURE: 3881800 -265.893 -139.706 32.6164 -139.706 -16.2384 53.5415 32.6167 53.5417 -0.381885 GPRESSURE: 3881800 -318.106 -63.4434 36.5375 -214.167 71.5597 29.7875 119.666 35.3624 54.759 PRESSAVG: 3881800 -4.24458 -73.3895 50.9157 -73.3894 19.3895 -45.5213 50.9157 -45.5213 5.03722 GPRESSAVG: 3881800 -3.8424 -73.9898 52.1707 -75.4698 18.2056 -45.1884 50.0965 -46.3322 6.425 TIMING: 3881800 CPU: 12273.8, 0.00318276/step Wall: 12273.8, 0.00318276/step, 0.9886 hours remaining, 237.832031 MB of memory in use. ENERGY: 3881800 3920.7037 20604.8362 14396.0094 257.1651 -203302.1672 2267.9315 0.0000 0.0000 52280.1062 -109575.4150 300.4545 -161855.5212 -109203.8204 299.5673 -94.1710 -63.9290 760141.5061 6.7274 6.9294 PRESSURE: 3882000 -97.9329 -138.491 -189.573 -138.491 -119.153 114.282 -189.574 114.282 -381.904 GPRESSURE: 3882000 -107.602 -83.3807 -95.2808 -16.1128 -53.6284 76.0994 -167.872 124.133 -371.978 PRESSAVG: 3882000 -27.3178 -31.5836 27.8917 -31.5835 -47.3306 -3.76593 27.8917 -3.76594 12.7808 GPRESSAVG: 3882000 -27.7403 -31.3621 27.9369 -30.987 -45.7091 -4.33814 28.2248 -1.23834 11.5199 TIMING: 3882000 CPU: 12274.5, 0.00320051/step Wall: 12274.5, 0.00320051/step, 0.993936 hours remaining, 237.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3882000 3992.0788 20635.1832 14456.7127 244.8635 -203251.0355 2446.2314 0.0000 0.0000 51742.2316 -109733.7342 297.3633 -161475.9658 -109369.4215 298.9921 -199.6632 -177.7364 761765.9564 -20.6225 -20.6432 PRESSURE: 3882200 63.7688 233.609 147.712 233.608 -114.787 -26.4169 147.713 -26.417 -57.6894 GPRESSURE: 3882200 110.637 247.028 223.7 180.285 -37.9541 -51.7927 113.77 1.81695 -87.1719 PRESSAVG: 3882200 -3.70439 -0.703396 -21.8242 -0.703347 47.8402 -24.4341 -21.8242 -24.434 27.8473 GPRESSAVG: 3882200 -3.09319 -0.45234 -22.3569 -2.2457 46.8778 -25.7887 -21.9738 -25.9193 28.2965 TIMING: 3882200 CPU: 12275.1, 0.00316126/step Wall: 12275.1, 0.00316126/step, 0.98157 hours remaining, 237.832031 MB of memory in use. ENERGY: 3882200 4015.5378 20539.1896 14442.8258 251.2968 -203380.6318 2411.7788 0.0000 0.0000 52065.0384 -109654.9645 299.2185 -161720.0029 -109294.0112 299.7776 -36.2358 -4.8296 760658.9061 23.9944 24.0271 PRESSURE: 3882400 177.039 -28.4047 300.665 -28.4045 -123.943 60.804 300.664 60.8052 125.557 GPRESSURE: 3882400 147.77 38.6736 255.896 2.19583 -92.0464 163.348 138.084 42.3521 201.321 PRESSAVG: 3882400 -79.8328 2.83713 18.2256 2.83714 43.3615 12.5429 18.2256 12.5429 19.6344 GPRESSAVG: 3882400 -79.1304 2.71207 18.4425 3.19378 41.8871 15.6063 17.6906 11.6013 20.3914 TIMING: 3882400 CPU: 12275.7, 0.00314484/step Wall: 12275.7, 0.00314484/step, 0.976299 hours remaining, 237.832031 MB of memory in use. ENERGY: 3882400 3934.7811 20560.2859 14437.3750 242.0058 -203563.9858 2714.4213 0.0000 0.0000 51981.8363 -109693.2803 298.7403 -161675.1166 -109339.5198 298.9856 59.5509 85.6814 761991.8541 -5.6123 -5.6173 PRESSURE: 3882600 209.816 199.37 24.2261 199.37 34.4979 37.1744 24.2269 37.1744 50.2094 GPRESSURE: 3882600 226.194 222.469 30.2421 148.507 53.608 51.4159 19.0894 186.894 95.899 PRESSAVG: 3882600 21.7202 18.7482 18.6512 18.7482 -12.4764 -59.8939 18.6511 -59.8939 -9.84942 GPRESSAVG: 3882600 20.5762 20.7193 18.693 16.8022 -9.59677 -60.2843 18.1911 -58.9988 -11.1821 TIMING: 3882600 CPU: 12276.3, 0.00314101/step Wall: 12276.3, 0.00314101/step, 0.974936 hours remaining, 237.832031 MB of memory in use. ENERGY: 3882600 4046.2199 20668.3842 14415.1711 235.2393 -203331.6366 2334.4404 0.0000 0.0000 52070.8958 -109561.2859 299.2522 -161632.1817 -109200.8619 299.0670 98.1744 125.2337 760431.9081 -0.2019 -0.0676 PRESSURE: 3882800 22.005 180.125 63.6222 180.125 222.037 -78.7737 63.6225 -78.7757 -415.202 GPRESSURE: 3882800 100.986 189.132 48.1437 190.338 156.656 -115.881 68.2983 18.6464 -357.197 PRESSAVG: 3882800 -17.8227 -10.1306 11.3586 -10.1307 39.3204 -2.318 11.3585 -2.31806 -6.8718 GPRESSAVG: 3882800 -17.4549 -12.8883 11.4324 -9.94498 37.7857 -5.69336 13.8475 -1.96751 -5.89971 TIMING: 3882800 CPU: 12277, 0.00315673/step Wall: 12277, 0.00315673/step, 0.979638 hours remaining, 237.832031 MB of memory in use. ENERGY: 3882800 3973.3928 20577.3821 14396.7217 247.7896 -203540.0523 2680.3879 0.0000 0.0000 52170.7083 -109493.6699 299.8258 -161664.3783 -109141.5279 299.0715 -57.0536 -33.1849 760403.2069 4.8753 4.8104 PRESSURE: 3883000 -218.522 -75.0957 -213.795 -75.0958 -245.603 156.611 -213.796 156.61 -31.0981 GPRESSURE: 3883000 -127.726 -71.4288 -150.671 4.44513 -212.844 134.041 -267.469 228.504 -73.0605 PRESSAVG: 3883000 -22.2449 10.6869 8.05215 10.6869 25.3387 -9.39122 8.05218 -9.39125 10.1233 GPRESSAVG: 3883000 -21.377 10.6944 6.53644 13.35 24.7902 -6.15507 7.30088 -8.38332 9.63409 TIMING: 3883000 CPU: 12277.6, 0.0031595/step Wall: 12277.6, 0.0031595/step, 0.980322 hours remaining, 237.832031 MB of memory in use. ENERGY: 3883000 3944.9404 20504.2523 14416.6954 252.6999 -203469.0219 2502.8261 0.0000 0.0000 52270.5804 -109577.0274 300.3997 -161847.6078 -109212.6089 299.7803 -165.0744 -137.8769 763247.6678 4.4057 4.3491 PRESSURE: 3883200 -187.405 -137.359 171.648 -137.36 -168.041 -117.041 171.646 -117.042 -196.323 GPRESSURE: 3883200 -187.221 8.77034 199.12 10.667 -79.4194 -95.5944 273.556 -224.488 -214.287 PRESSAVG: 3883200 35.6223 29.4523 -27.4497 29.4523 21.0311 -6.95174 -27.4497 -6.95178 -15.2338 GPRESSAVG: 3883200 34.9945 29.9275 -26.3752 28.73 21.1869 -7.5629 -26.7791 -8.72731 -15.2848 TIMING: 3883200 CPU: 12278.2, 0.00315757/step Wall: 12278.2, 0.00315757/step, 0.979548 hours remaining, 237.832031 MB of memory in use. ENERGY: 3883200 4133.2513 20293.7510 14437.4906 252.6262 -203671.5981 2814.3709 0.0000 0.0000 52273.9276 -109466.1806 300.4190 -161740.1082 -109100.0922 299.6044 -183.9228 -160.3092 762314.6852 13.8065 13.6322 PRESSURE: 3883400 126.119 -134.583 284.7 -134.583 17.9204 -51.6726 284.701 -51.6732 40.0203 GPRESSURE: 3883400 200.697 -251.263 298.191 -236.069 42.6388 33.8987 160.161 -62.891 29.1575 PRESSAVG: 3883400 -66.1542 -16.9006 23.5529 -16.9007 52.9317 -15.1087 23.5529 -15.1088 2.83604 GPRESSAVG: 3883400 -65.7929 -15.1353 22.7584 -16.8038 52.888 -12.917 22.6403 -16.7736 2.50659 TIMING: 3883400 CPU: 12278.9, 0.00314677/step Wall: 12278.9, 0.00314677/step, 0.976024 hours remaining, 237.832031 MB of memory in use. ENERGY: 3883400 4007.7454 20432.8964 14425.5757 251.8781 -203578.1673 2852.3747 0.0000 0.0000 52188.8239 -109418.8731 299.9299 -161607.6970 -109060.6376 299.5307 61.3533 90.8312 761993.4444 -3.4622 -3.4661 PRESSURE: 3883600 159.627 -86.9529 -181.947 -86.9527 66.9976 118.727 -181.946 118.725 -2.41263 GPRESSURE: 3883600 185.318 -165.494 -186.502 2.71735 106.115 112.918 -149.375 87.4242 16.2405 PRESSAVG: 3883600 -14.3451 21.2838 -34.0433 21.2838 -20.6533 -79.2972 -34.0433 -79.2972 6.02286 GPRESSAVG: 3883600 -15.7854 18.3386 -33.273 20.1708 -19.1695 -81.2507 -32.7754 -76.481 5.98054 TIMING: 3883600 CPU: 12279.5, 0.00317473/step Wall: 12279.5, 0.00317473/step, 0.98452 hours remaining, 237.832031 MB of memory in use. ENERGY: 3883600 3957.1517 20394.3725 14435.0841 255.1990 -203732.7332 3064.5575 0.0000 0.0000 52059.7171 -109566.6514 299.1879 -161626.3685 -109204.5335 299.6701 74.7373 102.5581 761344.4682 -9.6585 -9.6581 PRESSURE: 3883800 -66.3458 4.69292 97.1235 4.69367 150.792 5.17688 97.1238 5.17662 -154.833 GPRESSURE: 3883800 -3.1275 19.8839 93.035 27.7259 103.643 18.2467 88.932 176.833 -97.4894 PRESSAVG: 3883800 13.3096 -36.608 -37.9525 -36.6079 12.9173 -37.1821 -37.9525 -37.1821 15.2089 GPRESSAVG: 3883800 11.8146 -37.0373 -37.0134 -36.028 11.4464 -37.7125 -41.4362 -37.1689 18.0035 TIMING: 3883800 CPU: 12280.1, 0.00315465/step Wall: 12280.1, 0.00315465/step, 0.978116 hours remaining, 237.832031 MB of memory in use. ENERGY: 3883800 4012.4307 20670.3799 14417.4071 232.0783 -203448.4729 2642.0721 0.0000 0.0000 51899.2031 -109574.9016 298.2654 -161474.1048 -109221.2282 299.0048 -23.4623 1.0088 761564.7906 13.8119 13.7548 PRESSURE: 3884000 -71.9783 68.4949 -240.115 68.4949 -186.555 58.6742 -240.114 58.6741 -381.476 GPRESSURE: 3884000 -45.7515 36.8739 -264.287 84.3579 -122.749 149.741 -251.076 0.510577 -372.031 PRESSAVG: 3884000 23.3311 -31.4772 -21.8713 -31.4773 -16.488 -34.1753 -21.8714 -34.1754 -19.5229 GPRESSAVG: 3884000 25.1772 -30.9573 -23.0257 -32.227 -15.7251 -33.4434 -20.4876 -33.3898 -22.3324 TIMING: 3884000 CPU: 12280.8, 0.00316328/step Wall: 12280.8, 0.00316328/step, 0.980616 hours remaining, 237.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3884000 4037.0274 20397.8564 14412.2845 247.2342 -203275.9597 2572.6425 0.0000 0.0000 51990.1315 -109618.7832 298.7880 -161608.9147 -109255.6471 298.9939 -213.3364 -180.1771 764150.5899 -4.2266 -4.2934 PRESSURE: 3884200 -285.848 -188.337 -83.0773 -188.336 -19.1319 -223.427 -83.077 -223.428 -213.033 GPRESSURE: 3884200 -168.79 -139.45 -89.5712 -197.117 -16.093 -156.96 38.9173 -173.26 -240.357 PRESSAVG: 3884200 -23.5227 -80.4997 -38.23 -80.4996 5.8782 -9.0244 -38.23 -9.02441 27.0897 GPRESSAVG: 3884200 -24.5404 -80.1418 -37.4398 -80.2416 6.38588 -7.84852 -39.707 -12.2457 27.383 TIMING: 3884200 CPU: 12281.4, 0.00316499/step Wall: 12281.4, 0.00316499/step, 0.980972 hours remaining, 237.832031 MB of memory in use. ENERGY: 3884200 4074.7764 20472.5935 14394.2808 249.5365 -203738.9033 3034.2560 0.0000 0.0000 52026.8288 -109486.6313 298.9989 -161513.4601 -109125.6635 299.3229 -172.6710 -141.7467 763406.1191 3.1484 3.0762 LDB: ============= START OF LOAD BALANCING ============== 12293.8 LDB: ============== END OF LOAD BALANCING =============== 12293.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12293.8 LDB: ============= START OF LOAD BALANCING ============== 12294.1 LDB: Largest compute 7078 load 0.032690 is 16.7% of average load 0.196009 LDB: Average compute 0.004389 is 2.2% of average load 0.196009 LDB: TIME 12294.1 LOAD: AVG 0.196009 MAX 0.219321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.059 MB LDB: TIME 12294.1 LOAD: AVG 0.196009 MAX 0.219321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.152 MB LDB: TIME 12294.1 LOAD: AVG 0.196009 MAX 0.218701 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.152 MB LDB: ============== END OF LOAD BALANCING =============== 12294.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12294.1 PRESSURE: 3884400 -223.21 -214.545 64.4268 -214.545 -378.788 -284.915 64.4275 -284.915 -114.578 GPRESSURE: 3884400 -200.204 -252.301 91.8276 -121.25 -307.226 -239.223 72.6763 -239.395 -99.6719 PRESSAVG: 3884400 12.1182 -42.038 -21.8003 -42.038 36.9874 -26.8487 -21.8003 -26.8488 -12.5548 GPRESSAVG: 3884400 13.4056 -42.2423 -20.4183 -41.3326 36.675 -27.2572 -18.8647 -25.3744 -12.4595 TIMING: 3884400 CPU: 12282, 0.00320029/step Wall: 12282, 0.00320029/step, 0.991735 hours remaining, 238.355469 MB of memory in use. ENERGY: 3884400 4056.6551 20517.6152 14358.0779 241.6461 -203461.5881 2680.3974 0.0000 0.0000 51951.8237 -109655.3728 298.5678 -161607.1965 -109301.7768 298.9416 -238.8587 -202.3672 761369.2964 12.1836 12.5403 PRESSURE: 3884600 -385.074 166.242 -19.8576 166.242 -13.7757 -107.828 -19.8568 -107.828 -296.712 GPRESSURE: 3884600 -348.041 207.441 -101.271 11.1766 -37.8739 -92.0892 -8.69577 -26.5981 -258.503 PRESSAVG: 3884600 -37.6631 -38.7897 11.1676 -38.7896 75.731 -33.9017 11.1676 -33.9018 22.1012 GPRESSAVG: 3884600 -37.3256 -37.8154 10.4959 -40.6924 74.867 -33.5616 9.73975 -35.5213 22.2789 TIMING: 3884600 CPU: 12282.7, 0.00315121/step Wall: 12282.7, 0.00315121/step, 0.976351 hours remaining, 238.558594 MB of memory in use. ENERGY: 3884600 4055.5844 20581.1821 14377.5947 254.0547 -203586.7836 2754.0311 0.0000 0.0000 52022.2461 -109542.0906 298.9726 -161564.3366 -109187.7446 299.2589 -231.8540 -214.8061 760553.5148 20.0564 19.9401 PRESSURE: 3884800 -39.2134 -106.539 -38.4675 -106.54 170.599 -91.4581 -38.4673 -91.4578 -1.32791 GPRESSURE: 3884800 61.4495 -209.004 -150.973 -75.0805 110.913 -136.362 -13.2152 -36.1581 52.0226 PRESSAVG: 3884800 -31.3393 -23.4984 -25.1458 -23.4984 12.5016 -31.51 -25.1459 -31.51 15.3258 GPRESSAVG: 3884800 -31.4528 -24.618 -26.7347 -21.6045 12.5362 -30.6924 -23.8307 -30.0992 14.9654 TIMING: 3884800 CPU: 12283.3, 0.00316534/step Wall: 12283.3, 0.00316534/step, 0.980553 hours remaining, 238.558594 MB of memory in use. ENERGY: 3884800 4023.8623 20416.4781 14477.4183 248.9018 -203577.3535 2709.8434 0.0000 0.0000 51990.7844 -109710.0652 298.7918 -161700.8496 -109349.1308 299.3729 43.3525 74.7949 760993.4566 -1.1707 -1.3171 PRESSURE: 3885000 -183.756 -26.3828 121.101 -26.3822 110.252 89.5966 121.101 89.5973 202.326 GPRESSURE: 3885000 -88.5171 -72.2201 101.084 -24.219 120.542 127.314 186.923 -56.7522 173.945 PRESSAVG: 3885000 -3.4665 -27.0956 -24.4161 -27.0956 46.5872 -52.9142 -24.416 -52.9142 10.4767 GPRESSAVG: 3885000 -4.35369 -28.2289 -24.2597 -27.9959 47.2991 -54.0562 -23.8431 -54.5207 10.6514 TIMING: 3885000 CPU: 12283.9, 0.0031734/step Wall: 12283.9, 0.0031734/step, 0.982872 hours remaining, 238.558594 MB of memory in use. ENERGY: 3885000 4001.4125 20440.1614 14388.7216 245.8789 -203647.7087 2724.5860 0.0000 0.0000 52081.5201 -109765.4282 299.3132 -161846.9483 -109390.4495 299.0769 42.9405 68.6567 761148.3118 17.8658 17.8656 PRESSURE: 3885200 -192.81 -14.343 -148.201 -14.3427 24.4327 2.45739 -148.202 2.45717 109.705 GPRESSURE: 3885200 -157.275 -44.7926 -117.096 55.1476 148.497 -48.4264 -275.267 82.3677 37.3862 PRESSAVG: 3885200 7.52804 -37.2086 -3.07089 -37.2086 -14.4294 26.2306 -3.07088 26.2306 1.46187 GPRESSAVG: 3885200 7.94682 -35.1248 -3.38848 -36.6051 -15.6781 26.447 -4.47079 26.8134 1.97419 TIMING: 3885200 CPU: 12284.6, 0.00315189/step Wall: 12284.6, 0.00315189/step, 0.976034 hours remaining, 238.558594 MB of memory in use. ENERGY: 3885200 3992.4147 20462.3162 14424.7388 255.6196 -203523.4907 2637.3524 0.0000 0.0000 51970.6679 -109780.3811 298.6761 -161751.0490 -109419.0954 298.7965 -19.5574 9.5360 763670.5730 -1.8131 -1.9190 PRESSURE: 3885400 150.604 -164.208 -55.5958 -164.208 192.328 -35.9977 -55.5951 -35.9974 -77.6254 GPRESSURE: 3885400 58.3837 -69.425 33.8122 -149.934 308.989 -61.3559 22.6529 20.7878 -7.46342 PRESSAVG: 3885400 -3.25286 -83.6342 -22.4675 -83.6342 14.1421 -9.19119 -22.4675 -9.19124 0.493733 GPRESSAVG: 3885400 -4.62163 -83.6508 -22.7135 -83.1496 14.9119 -9.60633 -23.673 -7.12477 0.574963 TIMING: 3885400 CPU: 12285.2, 0.00316797/step Wall: 12285.2, 0.00316797/step, 0.980837 hours remaining, 238.558594 MB of memory in use. ENERGY: 3885400 3925.2508 20449.4654 14440.9175 237.2086 -203246.8727 2590.7391 0.0000 0.0000 51835.3110 -109767.9803 297.8982 -161603.2913 -109405.3620 298.0591 88.4356 119.9697 760834.0839 3.7943 3.6218 PRESSURE: 3885600 -404.71 -79.1132 -75.6404 -79.1131 -233.089 172.978 -75.6399 172.976 -165.925 GPRESSURE: 3885600 -329.136 -75.3759 -97.5247 -205.586 -211.295 186.803 -112.256 182.022 -162.79 PRESSAVG: 3885600 -16.4097 -49.0101 -17.8896 -49.0101 39.5445 -62.7556 -17.8896 -62.7556 -1.81436 GPRESSAVG: 3885600 -16.1862 -50.2806 -16.4829 -49.3774 39.3707 -61.7637 -14.3677 -66.0438 -1.95737 TIMING: 3885600 CPU: 12285.8, 0.00314183/step Wall: 12285.8, 0.00314183/step, 0.97257 hours remaining, 238.558594 MB of memory in use. ENERGY: 3885600 3968.2252 20408.7277 14370.0718 250.9376 -202707.0493 2225.5501 0.0000 0.0000 51726.4528 -109757.0841 297.2726 -161483.5369 -109390.5642 298.3725 -267.9078 -234.4073 760461.7177 7.1068 7.0757 PRESSURE: 3885800 -201.192 -53.8259 106.052 -53.8266 -170.988 -96.8211 106.053 -96.8216 -196.459 GPRESSURE: 3885800 -116.224 -102.026 129.948 -65.1667 -126.508 -105.287 55.4787 -45.5272 -235.124 PRESSAVG: 3885800 5.55394 -47.1148 -21.0713 -47.1148 19.4086 -29.3582 -21.0714 -29.3581 11.8146 GPRESSAVG: 3885800 6.31829 -47.9905 -23.067 -46.3757 20.1396 -28.7048 -22.3133 -29.7316 10.7801 TIMING: 3885800 CPU: 12286.5, 0.00314971/step Wall: 12286.5, 0.00314971/step, 0.974837 hours remaining, 238.558594 MB of memory in use. ENERGY: 3885800 3940.4437 20481.9609 14380.9920 258.9377 -203953.1539 2836.7974 0.0000 0.0000 52001.3587 -110052.6635 298.8525 -162054.0222 -109691.5699 297.9043 -189.5466 -159.2854 760476.6125 12.2590 12.4127 PRESSURE: 3886000 77.833 -23.5701 -272.33 -23.5694 -163.215 80.0384 -272.329 80.0377 -498.297 GPRESSURE: 3886000 75.0262 -52.1002 -318.502 -37.6366 -134.14 64.499 -240.442 125.617 -439.469 PRESSAVG: 3886000 -3.9443 -38.9263 4.75277 -38.9264 7.85469 -71.7108 4.75277 -71.7109 3.61907 GPRESSAVG: 3886000 -5.25976 -38.4965 7.81065 -39.5602 7.19939 -73.2679 2.71192 -70.3238 5.09971 TIMING: 3886000 CPU: 12287.1, 0.00316309/step Wall: 12287.1, 0.00316309/step, 0.978801 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3886000 3968.5805 20456.6660 14428.9663 248.7706 -203170.7271 2384.5136 0.0000 0.0000 51788.2509 -109894.9791 297.6278 -161683.2301 -109537.2735 297.9991 -194.5597 -166.1942 760476.1197 2.5098 2.3464 PRESSURE: 3886200 -481.39 -5.71459 27.4324 -5.71404 -104.893 56.1895 27.433 56.1904 -76.9296 GPRESSURE: 3886200 -435.017 1.97796 -10.4359 -47.1039 -71.7038 112.288 38.9219 -13.008 -68.0126 PRESSAVG: 3886200 -3.3687 -132.822 12.3887 -132.822 9.61827 -42.5709 12.3887 -42.5708 -8.85658 GPRESSAVG: 3886200 -2.43739 -132.889 11.2051 -133.559 8.48881 -42.1471 13.8814 -43.0084 -9.21464 TIMING: 3886200 CPU: 12287.7, 0.00315106/step Wall: 12287.7, 0.00315106/step, 0.974903 hours remaining, 238.558594 MB of memory in use. ENERGY: 3886200 3889.0448 20480.7277 14417.4384 249.2733 -203384.4938 2380.5567 0.0000 0.0000 52059.6984 -109907.7544 299.1878 -161967.4528 -109548.9513 298.2611 -221.0708 -191.5779 760905.3849 -0.8690 -1.0544 PRESSURE: 3886400 -146.418 -202.879 -129.871 -202.88 -222.242 45.4911 -129.871 45.4914 181.302 GPRESSURE: 3886400 -96.5237 -97.1328 -74.9096 -139.555 -154.244 73.7995 -97.7461 -79.8407 140.358 PRESSAVG: 3886400 -5.31185 -7.12472 -51.2973 -7.12471 12.8609 4.35115 -51.2973 4.35114 1.08333 GPRESSAVG: 3886400 -6.16526 -7.58068 -51.5476 -5.39463 14.113 4.35718 -52.1347 4.49657 0.681887 TIMING: 3886400 CPU: 12288.4, 0.00315869/step Wall: 12288.4, 0.00315869/step, 0.977089 hours remaining, 238.558594 MB of memory in use. ENERGY: 3886400 4019.1617 20340.4433 14460.7415 233.3034 -203587.3693 2805.8898 0.0000 0.0000 51618.9634 -110108.8662 296.6549 -161727.8296 -109760.3455 298.4527 -62.4529 -36.8034 761371.2643 2.8775 2.8765 PRESSURE: 3886600 66.5708 -231.68 57.1577 -231.681 140.87 -246.171 57.1578 -246.172 -419.784 GPRESSURE: 3886600 115.019 -103.543 77.5008 -244.307 125.594 -301.712 110.002 -243.521 -379.687 PRESSAVG: 3886600 23.2434 -10.5562 1.67516 -10.5563 -2.68904 20.9545 1.67513 20.9546 4.75934 GPRESSAVG: 3886600 23.5752 -9.67721 1.63661 -9.7323 -3.63112 21.122 1.08118 20.7408 5.44882 TIMING: 3886600 CPU: 12289, 0.00317874/step Wall: 12289, 0.00317874/step, 0.983114 hours remaining, 238.558594 MB of memory in use. ENERGY: 3886600 3927.7448 20296.9586 14361.4615 243.6054 -203408.1960 2481.1531 0.0000 0.0000 51995.2964 -110101.9761 298.8177 -162097.2725 -109750.7508 297.8692 -70.7811 -46.3579 760900.7285 8.4379 8.4643 PRESSURE: 3886800 188.492 -35.3852 96.7704 -35.3843 26.6747 -64.8763 96.7705 -64.8769 350.709 GPRESSURE: 3886800 154.807 -112.074 174.926 44.2004 45.2479 -60.4886 3.39154 32.4312 450.83 PRESSAVG: 3886800 46.3005 11.0879 17.2186 11.0879 -6.43958 -14.7613 17.2186 -14.7613 22.2734 GPRESSAVG: 3886800 46.7447 12.09 17.8755 8.08713 -7.4144 -14.1757 16.8583 -13.2707 22.7724 TIMING: 3886800 CPU: 12289.6, 0.00315456/step Wall: 12289.6, 0.00315456/step, 0.97546 hours remaining, 238.558594 MB of memory in use. ENERGY: 3886800 3898.9628 20391.3202 14438.7015 255.6689 -203607.1737 2595.7586 0.0000 0.0000 51861.0184 -110165.7432 298.0460 -162026.7616 -109811.0270 297.8693 188.6252 216.9616 759978.1312 20.7114 20.7009 PRESSURE: 3887000 -63.131 -109.377 -90.0695 -109.376 -59.0596 -292.353 -90.0686 -292.353 277.96 GPRESSURE: 3887000 -26.749 -87.1825 -136.959 -162.613 -4.83193 -246.402 81.1422 -270.452 281.095 PRESSAVG: 3887000 12.9463 -61.389 9.96875 -61.3889 27.4238 -31.6616 9.96866 -31.6617 -18.1528 GPRESSAVG: 3887000 13.3412 -62.045 8.67712 -61.5576 27.9822 -31.4398 11.9979 -31.5012 -19.5669 TIMING: 3887000 CPU: 12290.3, 0.00315684/step Wall: 12290.3, 0.00315684/step, 0.975989 hours remaining, 238.558594 MB of memory in use. ENERGY: 3887000 3930.3104 20334.3383 14355.5457 242.9809 -203524.2549 2732.3775 0.0000 0.0000 51760.8585 -110167.8437 297.4704 -161928.7022 -109804.2393 297.6838 51.9230 83.1715 762338.5276 7.4058 7.2522 PRESSURE: 3887200 92.0159 -146.256 139.758 -146.256 -210.589 57.9229 139.758 57.9224 339.702 GPRESSURE: 3887200 115.978 -155.53 121.303 -108.662 -137.058 132.258 194.091 -81.4671 311.719 PRESSAVG: 3887200 -6.61436 -31.0927 23.3512 -31.0927 12.281 1.69266 23.3512 1.69252 -1.60955 GPRESSAVG: 3887200 -7.27088 -30.8898 23.3263 -31.2769 12.865 2.7748 23.4677 -1.06028 -1.64979 TIMING: 3887200 CPU: 12290.9, 0.00317921/step Wall: 12290.9, 0.00317921/step, 0.98273 hours remaining, 238.558594 MB of memory in use. ENERGY: 3887200 4047.4586 20298.2959 14342.3853 226.6650 -203682.7439 2875.2799 0.0000 0.0000 51665.6757 -110226.9834 296.9233 -161892.6591 -109875.2405 297.7038 73.7097 96.8801 760198.8355 1.3524 1.3148 PRESSURE: 3887400 -82.6685 -169.677 -75.2999 -169.677 285.513 173.397 -75.3 173.397 57.8797 GPRESSURE: 3887400 4.13881 -168.829 30.5269 -218.312 223.508 106.343 108.201 139.335 128.764 PRESSAVG: 3887400 -1.44478 -58.0377 42.8644 -58.0377 -26.015 -20.8467 42.8643 -20.8468 2.003 GPRESSAVG: 3887400 -1.5374 -57.9548 43.0847 -57.6789 -26.3504 -23.3448 42.6882 -17.336 2.07423 TIMING: 3887400 CPU: 12291.5, 0.00317456/step Wall: 12291.5, 0.00317456/step, 0.981115 hours remaining, 238.558594 MB of memory in use. ENERGY: 3887400 3943.5709 20324.2974 14377.3359 247.2351 -203406.2730 2557.8783 0.0000 0.0000 51812.1669 -110143.7885 297.7652 -161955.9554 -109795.7513 297.9009 86.9080 118.8036 761379.6124 -8.4856 -8.6045 PRESSURE: 3887600 -200.198 154.179 -95.0928 154.179 127.145 29.9458 -95.0928 29.9457 35.6901 GPRESSURE: 3887600 -144.461 117.871 -108.718 130.587 165.537 23.9718 -38.9493 48.5947 14.358 PRESSAVG: 3887600 -6.81448 -54.8874 27.9309 -54.8873 -11.704 2.91617 27.9309 2.91611 28.4045 GPRESSAVG: 3887600 -6.23495 -55.8112 28.5389 -55.4598 -10.6475 3.13903 26.3594 2.14762 26.9963 TIMING: 3887600 CPU: 12292.2, 0.00316444/step Wall: 12292.2, 0.00316444/step, 0.977811 hours remaining, 238.558594 MB of memory in use. ENERGY: 3887600 4015.3831 20403.2374 14462.5611 232.2926 -203681.6850 2821.7303 0.0000 0.0000 51842.1532 -109904.3272 297.9376 -161746.4804 -109539.8131 297.9010 -12.4543 11.8111 762232.3480 3.2954 3.3713 PRESSURE: 3887800 92.1243 57.7498 259.305 57.7496 47.9143 -73.7231 259.306 -73.7229 -262.385 GPRESSURE: 3887800 106.453 64.5718 209.007 66.9525 17.8582 -98.3239 179.859 -11.422 -183.414 PRESSAVG: 3887800 -14.8839 -25.6939 32.4807 -25.694 28.5543 -27.4966 32.4807 -27.4966 -5.17909 GPRESSAVG: 3887800 -16.4028 -22.2521 33.2354 -25.3739 27.132 -26.8555 32.3731 -25.5673 -2.6317 TIMING: 3887800 CPU: 12292.8, 0.00317542/step Wall: 12292.8, 0.00317542/step, 0.981028 hours remaining, 238.558594 MB of memory in use. ENERGY: 3887800 4010.4025 20376.6779 14375.2128 239.6575 -203319.1693 2471.5377 0.0000 0.0000 51839.9063 -110005.7746 297.9247 -161845.6808 -109653.5001 298.3719 -40.7821 -19.7007 760899.9922 2.8304 2.6992 PRESSURE: 3888000 397.064 -30.6934 -167.959 -30.6925 -35.4735 183.282 -167.959 183.281 334.107 GPRESSURE: 3888000 363.612 -46.0597 -182.611 -71.3156 23.9401 185.493 -37.9368 329.77 392.467 PRESSAVG: 3888000 -8.62361 -19.5141 28.8381 -19.5142 11.8392 -21.6685 28.8381 -21.6685 14.2658 GPRESSAVG: 3888000 -8.59912 -21.3873 27.1944 -20.2568 11.6384 -23.0249 27.6541 -21.7629 14.6657 TIMING: 3888000 CPU: 12293.4, 0.00318522/step Wall: 12293.4, 0.00318522/step, 0.98388 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3888000 3912.3832 20358.9004 14426.2081 254.9907 -203454.1902 2627.5749 0.0000 0.0000 51922.2034 -109951.9296 298.3976 -161874.1329 -109589.6381 297.8486 231.8993 260.0062 761610.6421 5.8271 5.9016 PRESSURE: 3888200 -122.194 93.4604 111.714 93.4602 253.652 -6.68154 111.715 -6.68125 -132.703 GPRESSURE: 3888200 3.71885 62.1331 146.984 6.01769 235.392 -72.8341 1.57949 -42.0308 -147.884 PRESSAVG: 3888200 -42.333 -52.4576 -21.3143 -52.4576 9.52555 -7.6998 -21.3144 -7.69975 -18.6001 GPRESSAVG: 3888200 -41.461 -53.4127 -21.5392 -51.1264 10.5103 -5.68461 -19.8894 -8.52437 -20.3261 TIMING: 3888200 CPU: 12294.1, 0.0031664/step Wall: 12294.1, 0.0031664/step, 0.977891 hours remaining, 238.558594 MB of memory in use. ENERGY: 3888200 3938.3007 20403.5219 14416.0933 257.2817 -204046.6043 3145.6567 0.0000 0.0000 51846.3953 -110039.3546 297.9619 -161885.7499 -109675.5814 298.0013 -0.4152 30.4088 761944.7456 -17.1359 -17.0923 LDB: ============= START OF LOAD BALANCING ============== 12306.5 LDB: ============== END OF LOAD BALANCING =============== 12306.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12306.5 LDB: ============= START OF LOAD BALANCING ============== 12306.8 LDB: Largest compute 7078 load 0.033113 is 16.9% of average load 0.196073 LDB: Average compute 0.004392 is 2.2% of average load 0.196073 LDB: TIME 12306.8 LOAD: AVG 0.196073 MAX 0.216852 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 12306.8 LOAD: AVG 0.196073 MAX 0.216852 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 12306.8 LOAD: AVG 0.196073 MAX 0.216852 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: ============== END OF LOAD BALANCING =============== 12306.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12306.8 PRESSURE: 3888400 385.07 83.4866 -155.677 83.4868 -291.409 -55.4648 -155.677 -55.4638 91.0523 GPRESSURE: 3888400 375.023 -5.94087 -169.838 168.34 -246.446 -24.4432 -96.5166 23.0468 124.06 PRESSAVG: 3888400 -60.2294 26.151 -8.50465 26.1511 50.5939 -0.947328 -8.50459 -0.947312 -12.5883 GPRESSAVG: 3888400 -59.9264 27.4528 -7.23141 22.9459 49.9236 -0.927038 -10.4192 -2.93659 -11.7396 TIMING: 3888400 CPU: 12294.7, 0.00324842/step Wall: 12294.7, 0.00324841/step, 1.00304 hours remaining, 238.355469 MB of memory in use. ENERGY: 3888400 3924.5756 20426.6502 14448.3609 224.2940 -203892.3339 2912.7958 0.0000 0.0000 51860.6467 -110095.0107 298.0438 -161955.6574 -109746.4091 298.0262 61.5712 84.2126 761307.6310 -7.4079 -7.2475 PRESSURE: 3888600 -327.299 66.2771 86.4537 66.2764 -314.402 -136.516 86.4538 -136.516 -182.927 GPRESSURE: 3888600 -235.461 186.255 107.372 13.1884 -330.886 -196.157 65.5873 -177.224 -155.664 PRESSAVG: 3888600 25.9244 -31.2206 -32.9682 -31.2206 26.485 -14.442 -32.9681 -14.4419 9.60298 GPRESSAVG: 3888600 25.6581 -32.4572 -33.8863 -28.6918 25.9996 -14.9673 -30.0146 -13.1448 9.62855 TIMING: 3888600 CPU: 12295.4, 0.00320536/step Wall: 12295.4, 0.00320536/step, 0.989567 hours remaining, 238.558594 MB of memory in use. ENERGY: 3888600 3920.4742 20259.2445 14400.2583 238.6208 -203351.3475 2626.1958 0.0000 0.0000 51910.4846 -109996.0693 298.3303 -161906.5539 -109630.5897 297.8883 -274.8761 -240.6704 762365.4883 20.6708 20.4287 PRESSURE: 3888800 120.39 7.01153 151.083 7.0107 -133.872 -109.544 151.082 -109.543 116.885 GPRESSURE: 3888800 97.3553 -109.078 108.956 14.564 11.711 -82.5953 161.247 -64.5484 75.9306 PRESSAVG: 3888800 -2.62646 -7.39049 46.0715 -7.39053 25.6967 -36.6603 46.0715 -36.6604 19.824 GPRESSAVG: 3888800 -3.21102 -8.09186 44.796 -5.39583 26.8438 -36.4858 46.4679 -36.1815 19.1657 TIMING: 3888800 CPU: 12296, 0.00322424/step Wall: 12296, 0.00322424/step, 0.995216 hours remaining, 238.558594 MB of memory in use. ENERGY: 3888800 4012.0786 20468.3178 14403.2495 244.6801 -203558.3150 2558.5317 0.0000 0.0000 51907.6872 -109963.7702 298.3142 -161871.4573 -109614.8911 298.7436 34.4676 61.6656 760196.6212 14.2981 14.2662 PRESSURE: 3889000 182.738 -121.868 44.365 -121.868 62.6204 145.304 44.3658 145.304 -79.0965 GPRESSURE: 3889000 176.485 -90.8502 -31.6257 -189.376 112.988 93.9627 188.161 164.276 -31.9074 PRESSAVG: 3889000 45.34 -3.49913 -0.3387 -3.49915 -31.207 -28.2947 -0.338661 -28.2947 -4.75557 GPRESSAVG: 3889000 46.0732 -3.01705 1.6085 -5.92222 -31.9584 -29.5507 -0.150023 -28.7709 -4.76521 TIMING: 3889000 CPU: 12296.6, 0.00316708/step Wall: 12296.6, 0.00316708/step, 0.977397 hours remaining, 238.558594 MB of memory in use. ENERGY: 3889000 3966.0388 20517.4785 14466.1860 256.5219 -203731.2626 2719.2714 0.0000 0.0000 51960.2205 -109845.5455 298.6161 -161805.7660 -109488.9837 298.5481 55.4207 85.8551 760427.1067 3.1258 3.1165 PRESSURE: 3889200 -11.8421 88.7339 -119.713 88.7341 -91.6286 -135.361 -119.714 -135.363 375.879 GPRESSURE: 3889200 3.49522 121.136 -25.2068 34.2265 24.8911 -154.761 -214.599 -56.6445 314.483 PRESSAVG: 3889200 41.884 13.5215 51.6291 13.5214 -8.83323 -29.6261 51.6291 -29.6261 4.00974 GPRESSAVG: 3889200 42.2115 13.4339 50.5177 13.3993 -9.04366 -29.5628 51.1992 -29.0919 3.45208 TIMING: 3889200 CPU: 12297.3, 0.00316402/step Wall: 12297.3, 0.00316402/step, 0.976275 hours remaining, 238.558594 MB of memory in use. ENERGY: 3889200 4017.8559 20512.4235 14365.0156 254.1900 -203759.7479 2702.6648 0.0000 0.0000 52118.2335 -109789.3646 299.5242 -161907.5981 -109427.8110 298.6774 90.8028 114.2898 761116.8127 12.3535 12.2066 PRESSURE: 3889400 -323.022 -125.539 -65.8161 -125.539 -16.1056 34.022 -65.8163 34.0212 175.585 GPRESSURE: 3889400 -256.435 -107.433 -119.159 -237.791 41.4444 6.87272 -10.8937 -36.0565 140.256 PRESSAVG: 3889400 3.27738 -24.3338 21.0605 -24.3337 -24.3931 -31.0333 21.0606 -31.0333 -5.45395 GPRESSAVG: 3889400 1.72295 -22.329 22.8976 -25.1076 -23.26 -29.4837 19.5217 -31.185 -5.55274 TIMING: 3889400 CPU: 12297.9, 0.00317107/step Wall: 12297.9, 0.00317107/step, 0.978276 hours remaining, 238.558594 MB of memory in use. ENERGY: 3889400 3946.0464 20532.6847 14408.4897 261.5343 -203252.5881 2597.6572 0.0000 0.0000 51592.4028 -109913.7728 296.5022 -161506.1756 -109550.6606 298.0562 -54.5141 -24.9115 761174.0771 -8.8566 -9.0299 PRESSURE: 3889600 -61.3835 -27.9153 74.576 -27.9142 -155.393 42.7591 74.5752 42.7589 -499.31 GPRESSURE: 3889600 -0.0715752 -42.5811 68.832 -49.6467 -74.4174 6.1824 -92.0698 151.641 -566.965 PRESSAVG: 3889600 -43.3335 9.04457 31.1429 9.04453 1.03664 26.43 31.1429 26.43 -10.3712 GPRESSAVG: 3889600 -41.5577 6.86549 31.8637 10.9833 -0.296196 24.5013 29.2753 26.5914 -10.6495 TIMING: 3889600 CPU: 12298.5, 0.00316313/step Wall: 12298.5, 0.00316313/step, 0.975649 hours remaining, 238.558594 MB of memory in use. ENERGY: 3889600 4095.8269 20486.4278 14452.4455 236.4977 -203476.7065 2506.0758 0.0000 0.0000 51883.8965 -109815.5363 298.1775 -161699.4328 -109453.8014 298.2462 -238.6954 -213.8180 760869.6723 -17.5560 -17.5011 PRESSURE: 3889800 -428.511 22.1462 -204.24 22.1461 -64.2547 -102.665 -204.24 -102.665 208.723 GPRESSURE: 3889800 -420.115 82.5606 -198.577 38.1975 32.4207 60.2323 -162.16 -9.6166 175.905 PRESSAVG: 3889800 38.4617 -45.2642 33.7516 -45.2642 -18.3899 50.366 33.7516 50.366 2.13237 GPRESSAVG: 3889800 36.8077 -43.1714 32.5722 -45.9714 -16.9931 52.1072 35.5509 49.2357 2.44006 TIMING: 3889800 CPU: 12299.2, 0.00315206/step Wall: 12299.2, 0.00315206/step, 0.97206 hours remaining, 238.558594 MB of memory in use. ENERGY: 3889800 3981.2096 20367.2450 14427.0740 257.2508 -203333.2499 2423.7048 0.0000 0.0000 52004.9019 -109871.8639 298.8729 -161876.7658 -109509.2853 298.2477 -94.6811 -70.5966 761583.8755 7.4014 7.4182 PRESSURE: 3890000 440.942 -109.816 118.619 -109.816 265.183 66.3138 118.619 66.3135 223.537 GPRESSURE: 3890000 508.248 -106.545 46.9195 -75.1095 219.082 56.1131 184.906 -83.3155 280.383 PRESSAVG: 3890000 -1.22044 -16.9895 -14.9011 -16.9896 37.6287 36.0466 -14.9012 36.0465 7.28782 GPRESSAVG: 3890000 0.72751 -17.9672 -14.2683 -16.0663 36.8043 35.6958 -16.2473 34.2172 5.80646 TIMING: 3890000 CPU: 12299.8, 0.00315308/step Wall: 12299.8, 0.00315308/step, 0.9722 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3890000 3909.3713 20537.3626 14519.4581 243.0207 -203435.7666 2463.9239 0.0000 0.0000 51955.8233 -109806.8067 298.5908 -161762.6300 -109461.0388 298.8398 309.8872 335.9042 760235.9799 14.5653 14.4461 PRESSURE: 3890200 -96.9903 202.325 14.5486 202.325 214.611 -26.213 14.5485 -26.2137 -233.22 GPRESSURE: 3890200 -12.3689 169.376 49.8425 136.652 207.262 -12.2558 -104.62 -12.4036 -205.094 PRESSAVG: 3890200 18.0468 -41.3413 18.9857 -41.3413 6.19425 -10.1899 18.9857 -10.1899 -13.8207 GPRESSAVG: 3890200 16.2858 -41.3148 19.2827 -42.7341 7.06771 -10.1336 20.2523 -9.53412 -13.1091 TIMING: 3890200 CPU: 12300.4, 0.0031535/step Wall: 12300.4, 0.0031535/step, 0.972154 hours remaining, 238.558594 MB of memory in use. ENERGY: 3890200 4010.6487 20398.8192 14442.5397 262.5223 -203796.0482 2860.6205 0.0000 0.0000 52198.2708 -109622.6269 299.9842 -161820.8977 -109265.4968 299.1918 -38.5332 -3.4004 762056.0907 3.4735 3.4148 PRESSURE: 3890400 -44.9464 -37.5251 -27.8266 -37.5249 -178.008 24.3025 -27.8263 24.3029 128.374 GPRESSURE: 3890400 -64.5051 104.316 0.0834944 -105.229 -133.036 101.461 -35.8541 -25.3035 171.922 PRESSAVG: 3890400 -81.867 -58.2416 -25.3373 -58.2416 23.3601 -37.8933 -25.3375 -37.8934 18.2547 GPRESSAVG: 3890400 -80.008 -58.5152 -25.8237 -59.5553 21.7307 -37.5033 -26.2389 -38.2358 18.3371 TIMING: 3890400 CPU: 12301.1, 0.00315388/step Wall: 12301.1, 0.00315388/step, 0.972096 hours remaining, 238.558594 MB of memory in use. ENERGY: 3890400 3914.7729 20277.1183 14407.8640 257.0866 -203440.4071 2530.9547 0.0000 0.0000 52268.4773 -109784.1333 300.3877 -162052.6106 -109424.5150 299.0067 -31.5268 -8.5396 762901.2375 -13.4174 -13.3134 PRESSURE: 3890600 -2.04322 -158.157 -132.083 -158.156 305.455 98.6023 -132.082 98.6017 56.7606 GPRESSURE: 3890600 108.166 -229.705 -127.329 -93.9761 246.126 145.758 -40.3304 73.0614 104.397 PRESSAVG: 3890600 -67.8002 -36.2663 -33.5549 -36.2662 97.4852 -16.4188 -33.5548 -16.4188 -10.078 GPRESSAVG: 3890600 -69.5093 -38.1421 -32.1556 -35.186 98.6838 -17.8188 -33.4747 -15.8703 -9.48996 TIMING: 3890600 CPU: 12301.7, 0.0031623/step Wall: 12301.7, 0.0031623/step, 0.974514 hours remaining, 238.558594 MB of memory in use. ENERGY: 3890600 3996.0961 20443.4337 14422.8059 266.3829 -204086.8362 3088.5773 0.0000 0.0000 51955.6491 -109913.8912 298.5898 -161869.5403 -109560.3429 298.9118 120.0576 152.8963 760415.4410 6.5357 6.5615 PRESSURE: 3890800 326.202 -242.122 76.2427 -242.121 -11.8998 -339.533 76.2426 -339.532 233.621 GPRESSURE: 3890800 304.981 -222.438 25.846 -205.77 62.1276 -211.661 83.8515 -263.91 244.463 PRESSAVG: 3890800 -68.2093 -43.3617 -4.73975 -43.3617 47.476 -15.9611 -4.7397 -15.9611 20.7866 GPRESSAVG: 3890800 -67.6343 -42.4897 -6.97009 -43.3553 46.1564 -14.9635 -2.01998 -15.1832 21.3751 TIMING: 3890800 CPU: 12302.3, 0.00315949/step Wall: 12302.3, 0.00315949/step, 0.973475 hours remaining, 238.558594 MB of memory in use. ENERGY: 3890800 3969.6286 20395.7286 14476.1014 246.7411 -203672.8809 2689.3676 0.0000 0.0000 52062.9500 -109832.3636 299.2065 -161895.3137 -109470.7750 298.1098 182.6409 203.8573 759949.7186 0.0177 -0.0342 PRESSURE: 3891000 -90.8284 191.891 267.862 191.891 -164.879 251.072 267.862 251.071 -135.221 GPRESSURE: 3891000 -8.14926 -29.8226 189.735 196.361 -182.197 248.045 248.621 207.263 -116.052 PRESSAVG: 3891000 33.5467 -16.5074 38.5977 -16.5075 24.7679 -31.2759 38.5977 -31.276 18.2715 GPRESSAVG: 3891000 34.2302 -16.8268 38.6561 -15.8192 26.1959 -30.4512 37.5275 -30.8392 16.6455 TIMING: 3891000 CPU: 12303, 0.00317137/step Wall: 12303, 0.00317137/step, 0.976959 hours remaining, 238.558594 MB of memory in use. ENERGY: 3891000 3909.8372 20539.0506 14453.9116 241.6744 -203305.3546 2484.6113 0.0000 0.0000 52163.2470 -109513.0224 299.7829 -161676.2695 -109147.4839 299.4364 -130.3095 -102.1329 761496.6603 25.5287 25.6905 PRESSURE: 3891200 -156.227 -164.409 69.3016 -164.408 -163.856 -156.015 69.301 -156.016 31.7039 GPRESSURE: 3891200 -39.2268 -38.6432 -3.74807 -143.043 -134.723 -282.347 128.451 -93.4878 -15.4655 PRESSAVG: 3891200 -42.5494 16.19 -12.5255 16.19 35.6986 22.7774 -12.5255 22.7774 -18.0571 GPRESSAVG: 3891200 -41.1267 17.8599 -12.5889 15.659 34.6387 22.5565 -13.7838 21.6785 -18.7761 TIMING: 3891200 CPU: 12303.6, 0.00317458/step Wall: 12303.6, 0.00317458/step, 0.977772 hours remaining, 238.558594 MB of memory in use. ENERGY: 3891200 4034.8160 20539.4233 14485.3124 241.6442 -203606.0790 2756.6623 0.0000 0.0000 51891.9646 -109656.2561 298.2238 -161548.2208 -109294.9010 298.6524 -96.1263 -63.1384 759682.7567 -8.3027 -8.4214 PRESSURE: 3891400 -383.837 51.9769 -248.337 51.9764 -95.8306 -142.578 -248.337 -142.578 -314.238 GPRESSURE: 3891400 -335.178 -59.3748 -275.529 16.3894 -112.891 -89.7743 -192.293 -260.919 -249.869 PRESSAVG: 3891400 -17.0723 15.5461 50.5757 15.546 22.3541 -53.7227 50.5756 -53.7226 13.6856 GPRESSAVG: 3891400 -19.0109 11.9979 50.8478 16.2871 23.9926 -52.6961 51.5638 -53.8672 13.9321 TIMING: 3891400 CPU: 12304.2, 0.00318543/step Wall: 12304.2, 0.00318543/step, 0.980934 hours remaining, 238.558594 MB of memory in use. ENERGY: 3891400 4025.3640 20484.9341 14445.7780 258.6151 -203355.1204 2448.0545 0.0000 0.0000 52002.4294 -109689.9455 298.8587 -161692.3748 -109323.2399 298.9607 -264.6353 -232.6462 760544.3637 6.3225 6.3046 PRESSURE: 3891600 30.7179 -103.804 245.646 -103.804 166.176 40.9174 245.646 40.9169 79.3417 GPRESSURE: 3891600 36.8973 -71.5678 172.278 -143.269 270.769 116.455 124.665 113.342 62.8694 PRESSAVG: 3891600 -29.9527 -43.5831 37.1031 -43.5831 26.3905 2.06673 37.1031 2.06675 -17.158 GPRESSAVG: 3891600 -29.6199 -39.1558 37.0547 -44.2039 25.3984 1.11541 35.8951 2.74672 -16.771 TIMING: 3891600 CPU: 12304.9, 0.0031681/step Wall: 12304.9, 0.0031681/step, 0.975424 hours remaining, 238.558594 MB of memory in use. ENERGY: 3891600 4001.9264 20556.4070 14405.0384 239.0755 -203771.1030 2689.8831 0.0000 0.0000 52090.5511 -109788.2215 299.3651 -161878.7726 -109428.3334 298.4286 92.0784 123.5117 760301.6055 -6.9067 -6.9975 PRESSURE: 3891800 -306.389 281.48 -230.264 281.481 -204.495 -6.07619 -230.264 -6.07765 69.0621 GPRESSURE: 3891800 -241.399 211.589 -249.738 180.742 -111.943 50.2608 -256.189 2.78318 -0.477948 PRESSAVG: 3891800 2.97265 -39.2087 -10.0799 -39.2087 -11.5176 34.6718 -10.0799 34.6719 -5.33718 GPRESSAVG: 3891800 2.86502 -40.9926 -8.85914 -39.4559 -10.9547 35.0567 -10.7489 33.7828 -5.91032 TIMING: 3891800 CPU: 12305.5, 0.0031524/step Wall: 12305.5, 0.0031524/step, 0.970413 hours remaining, 238.558594 MB of memory in use. ENERGY: 3891800 3994.6076 20434.7269 14436.8474 259.8369 -203463.1343 2569.9850 0.0000 0.0000 52192.6526 -109574.4780 299.9519 -161767.1305 -109202.2470 298.9309 -147.2740 -117.9398 759861.2165 -4.6274 -4.6667 PRESSURE: 3892000 -319.804 -162.034 217.444 -162.034 -463.627 -171.263 217.444 -171.262 295.509 GPRESSURE: 3892000 -285.299 -267.328 260.506 -151.186 -421.767 -212.023 210.897 -214.947 288.295 PRESSAVG: 3892000 26.2485 -58.4391 -0.329498 -58.4391 -34.1395 5.6915 -0.329476 5.69158 -7.11881 GPRESSAVG: 3892000 26.0549 -58.3948 -0.956091 -56.8644 -33.1072 5.76843 1.09874 5.58825 -8.06581 TIMING: 3892000 CPU: 12306.1, 0.00315242/step Wall: 12306.1, 0.00315242/step, 0.970245 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3892000 3981.2657 20487.1577 14453.4842 248.9602 -202864.7571 2358.7988 0.0000 0.0000 52041.2851 -109293.8053 299.0820 -161335.0904 -108942.3012 299.2871 -162.6408 -139.5904 762702.5285 -5.0033 -5.0394 PRESSURE: 3892200 -45.8758 -196.304 -122.353 -196.304 -423.108 201.398 -122.353 201.397 -13.359 GPRESSURE: 3892200 7.79233 -187.898 -145.561 -136.005 -361.006 122.477 -47.8861 89.6919 -53.6334 PRESSAVG: 3892200 14.7221 -26.1084 -8.18952 -26.1084 -1.95316 -4.18943 -8.18951 -4.18949 6.2098 GPRESSAVG: 3892200 13.3389 -26.0328 -7.38814 -27.0382 -2.33983 -5.18692 -6.60195 -4.15232 7.99551 TIMING: 3892200 CPU: 12306.8, 0.00315668/step Wall: 12306.8, 0.00315668/step, 0.971379 hours remaining, 238.558594 MB of memory in use. ENERGY: 3892200 4123.1206 20621.3827 14454.8292 248.9597 -203185.2770 2660.9410 0.0000 0.0000 52023.1272 -109052.9166 298.9776 -161076.0438 -108690.1721 299.0795 -160.7811 -135.6157 763551.2849 6.3263 6.3315 LDB: ============= START OF LOAD BALANCING ============== 12319.1 LDB: ============== END OF LOAD BALANCING =============== 12319.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12319.2 LDB: ============= START OF LOAD BALANCING ============== 12319.5 LDB: Largest compute 7068 load 0.035359 is 18.0% of average load 0.196041 LDB: Average compute 0.004380 is 2.2% of average load 0.196041 LDB: TIME 12319.5 LOAD: AVG 0.196041 MAX 0.217161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12319.5 LOAD: AVG 0.196041 MAX 0.217161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 12319.5 LOAD: AVG 0.196041 MAX 0.217161 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 12319.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12319.5 PRESSURE: 3892400 -43.5186 -37.5166 201.025 -37.517 -60.9029 -153.717 201.025 -153.718 289.68 GPRESSURE: 3892400 33.221 -9.8995 305.917 24.7267 -24.6216 -159.067 178.177 -152.778 251.093 PRESSAVG: 3892400 -46.2193 -3.00459 18.3796 -3.00459 1.39044 6.40711 18.3796 6.40714 6.61447 GPRESSAVG: 3892400 -45.4859 -2.20117 18.4044 -2.87209 0.501196 8.10046 15.7858 6.21765 6.80707 TIMING: 3892400 CPU: 12307.4, 0.00322569/step Wall: 12307.4, 0.00322569/step, 0.992438 hours remaining, 239.441406 MB of memory in use. ENERGY: 3892400 4052.6750 20517.0167 14458.6582 242.9134 -203122.4310 2432.1421 0.0000 0.0000 52229.2975 -109189.7280 300.1625 -161419.0256 -108831.0655 299.7613 61.7528 86.5641 759630.7437 -12.7381 -12.7259 PRESSURE: 3892600 199.172 137.311 -72.2848 137.312 291.788 35.3092 -72.2855 35.3089 -60.1811 GPRESSURE: 3892600 382.784 94.4814 67.273 154.381 228.999 29.2758 -135.697 15.5985 -111.775 PRESSAVG: 3892600 -16.7337 -26.2999 89.9727 -26.2998 -1.77182 -30.6185 89.9726 -30.6186 0.164754 GPRESSAVG: 3892600 -15.6361 -28.0217 90.4765 -26.21 -2.45443 -33.0405 91.8605 -30.0159 0.576144 TIMING: 3892600 CPU: 12308, 0.00314978/step Wall: 12308, 0.00314978/step, 0.968907 hours remaining, 239.441406 MB of memory in use. ENERGY: 3892600 3998.9840 20319.0954 14445.4733 257.8246 -203705.1583 2829.2093 0.0000 0.0000 52448.2570 -109406.3146 301.4209 -161854.5716 -109025.6952 300.0716 143.5931 166.6693 760922.3438 -6.1136 -5.8381 PRESSURE: 3892800 296.859 2.37485 -50.6747 2.37508 381.554 72.5235 -50.6743 72.5235 351.869 GPRESSURE: 3892800 285.631 76.495 -108.191 -26.6031 487.373 -13.5254 -90.1388 131.414 347.978 PRESSAVG: 3892800 41.2773 2.15299 47.2369 2.15296 -48.2427 17.507 47.2369 17.5071 -13.7181 GPRESSAVG: 3892800 41.1163 3.0125 46.332 4.47075 -47.1573 19.8341 46.8254 18.7547 -14.2879 TIMING: 3892800 CPU: 12308.7, 0.0031653/step Wall: 12308.7, 0.0031653/step, 0.973506 hours remaining, 239.441406 MB of memory in use. ENERGY: 3892800 3997.0858 20499.1559 14464.6437 263.9802 -203623.6728 2925.7840 0.0000 0.0000 52083.9894 -109389.0337 299.3274 -161473.0232 -109022.3750 299.6366 343.4275 373.6605 760103.4345 -6.8945 -6.7763 PRESSURE: 3893000 -4.8837 -128.356 -76.5403 -128.355 -63.1487 9.08744 -76.5397 9.0875 -123.029 GPRESSURE: 3893000 6.66961 -187.226 -36.8127 -27.0887 -16.3251 23.4741 -47.9141 -116.547 -106.371 PRESSAVG: 3893000 2.93503 25.7571 -17.4431 25.7571 -1.10911 3.3103 -17.4431 3.31026 13.1804 GPRESSAVG: 3893000 3.40971 25.252 -18.8567 27.3572 -1.34482 1.66406 -17.044 1.87374 12.8913 TIMING: 3893000 CPU: 12309.3, 0.00313231/step Wall: 12309.3, 0.00313231/step, 0.963187 hours remaining, 239.441406 MB of memory in use. ENERGY: 3893000 4013.7894 20586.8562 14394.1249 248.8454 -203620.6973 2769.4575 0.0000 0.0000 51976.6863 -109630.9375 298.7107 -161607.6237 -109274.8758 299.3031 -63.6872 -38.6754 763007.2157 5.0021 4.9854 PRESSURE: 3893200 -212.726 35.8971 -10.5798 35.8979 -105.506 228.611 -10.5802 228.611 257.565 GPRESSURE: 3893200 -127.732 15.4455 -45.9377 155.91 -60.3386 155.914 -29.9172 203.403 213.197 PRESSAVG: 3893200 -29.769 -88.2798 -10.9235 -88.2798 50.5929 12.9649 -10.9235 12.9649 -15.5754 GPRESSAVG: 3893200 -29.2325 -87.5059 -10.0348 -92.1696 50.8929 11.0485 -11.2547 14.4286 -16.4656 TIMING: 3893200 CPU: 12309.9, 0.00313058/step Wall: 12309.9, 0.00313058/step, 0.962479 hours remaining, 239.441406 MB of memory in use. ENERGY: 3893200 3946.4086 20426.1318 14439.8256 232.5721 -203781.9689 3026.7029 0.0000 0.0000 52147.2746 -109563.0532 299.6911 -161710.3278 -109196.6932 299.2195 -20.2227 8.3755 760931.2739 1.7495 1.7316 PRESSURE: 3893400 -169.923 -54.6459 -163.512 -54.6453 41.5632 128.335 -163.512 128.336 -228.04 GPRESSURE: 3893400 -219.188 -26.8508 -70.4644 78.8599 136.523 133.949 -258.512 90.1108 -201.718 PRESSAVG: 3893400 -15.6421 -46.417 -27.4659 -46.417 0.0721302 -2.50829 -27.4659 -2.50827 -7.70984 GPRESSAVG: 3893400 -17.8025 -45.9747 -28.4701 -47.5735 0.423121 1.03283 -27.3625 -6.04784 -6.10773 TIMING: 3893400 CPU: 12310.5, 0.0031419/step Wall: 12310.5, 0.0031419/step, 0.965786 hours remaining, 239.441406 MB of memory in use. ENERGY: 3893400 4026.0670 20643.4064 14416.1236 242.6580 -203307.9688 2669.8741 0.0000 0.0000 51868.9814 -109440.8584 298.0917 -161309.8398 -109086.1833 299.5898 -118.8000 -94.7943 763545.0403 -7.7599 -7.8290 PRESSURE: 3893600 162.087 33.5842 184.511 33.5837 -25.5231 -214.494 184.511 -214.494 -191.64 GPRESSURE: 3893600 183.708 7.17155 177.917 -60.6123 20.3249 -199.055 168.354 -226.991 -173.298 PRESSAVG: 3893600 8.9697 -29.1129 -28.0359 -29.1129 12.2125 4.27277 -28.0359 4.27276 -11.7931 GPRESSAVG: 3893600 9.38445 -29.5064 -28.6934 -28.1051 11.3871 0.888861 -26.6988 6.69745 -11.8748 TIMING: 3893600 CPU: 12311.2, 0.00313681/step Wall: 12311.2, 0.00313681/step, 0.964045 hours remaining, 239.441406 MB of memory in use. ENERGY: 3893600 3945.4962 20630.6454 14388.0889 220.3058 -203263.9121 2535.2118 0.0000 0.0000 52064.2469 -109479.9171 299.2139 -161544.1640 -109109.1490 299.1675 -18.3587 10.2449 762248.0066 3.1297 2.9656 PRESSURE: 3893800 -113.5 132.768 51.9315 132.769 -43.959 99.6819 51.9327 99.6818 531.659 GPRESSURE: 3893800 8.08542 179.89 73.0267 108.332 -67.0008 48.2104 -14.0158 102.772 519.053 PRESSAVG: 3893800 -0.220468 -31.6065 38.5985 -31.6065 4.75288 -16.0867 38.5985 -16.0867 -2.2713 GPRESSAVG: 3893800 0.0288941 -30.731 39.7193 -30.5773 4.23793 -14.4702 38.2769 -15.849 -1.99381 TIMING: 3893800 CPU: 12311.8, 0.0031342/step Wall: 12311.8, 0.0031342/step, 0.963071 hours remaining, 239.441406 MB of memory in use. ENERGY: 3893800 3959.7946 20537.6309 14431.5634 233.9631 -203248.9851 2651.5256 0.0000 0.0000 52042.4022 -109392.1053 299.0884 -161434.5075 -109026.0882 299.0845 124.7335 153.3793 761602.4883 0.7537 0.7577 PRESSURE: 3894000 -3.7301 -317.696 -93.817 -317.697 239.916 -169.266 -93.8178 -169.267 161.983 GPRESSURE: 3894000 38.6327 -299.263 -62.5389 -123.726 231.682 -69.2359 -131.136 -170.862 229.931 PRESSAVG: 3894000 -7.18233 -36.669 1.71191 -36.669 -34.2745 3.11448 1.71186 3.11446 34.0383 GPRESSAVG: 3894000 -7.24825 -37.4729 1.43907 -35.6728 -35.3689 4.47891 0.396565 2.83653 34.8553 TIMING: 3894000 CPU: 12312.4, 0.0031403/step Wall: 12312.4, 0.0031403/step, 0.96477 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3894000 3940.7421 20570.8373 14482.1787 250.7621 -203499.5933 2741.5076 0.0000 0.0000 52031.9737 -109481.5918 299.0285 -161513.5655 -109112.3668 298.9063 132.7230 166.7486 761957.7389 -2.4728 -2.5873 PRESSURE: 3894200 31.7835 64.7735 -521.503 64.7737 45.4208 85.7709 -521.503 85.7719 148.832 GPRESSURE: 3894200 55.8212 76.2448 -476.328 107.734 105.268 47.9759 -383.751 71.7567 151.354 PRESSAVG: 3894200 -49.5952 -35.6441 12.6817 -35.6441 30.0966 43.2202 12.6817 43.2201 -3.02342 GPRESSAVG: 3894200 -50.6521 -34.8801 13.1295 -36.368 32.3449 43.2107 11.8588 41.6044 -4.08341 TIMING: 3894200 CPU: 12313, 0.00313291/step Wall: 12313, 0.00313291/step, 0.962327 hours remaining, 239.441406 MB of memory in use. ENERGY: 3894200 3984.0721 20645.5046 14380.7938 234.7490 -203415.1752 2554.5388 0.0000 0.0000 52183.7057 -109431.8113 299.9005 -161615.5170 -109070.5935 299.7526 75.3453 104.1478 761491.8567 -7.5073 -7.4635 PRESSURE: 3894400 -140.129 -159.073 -101.393 -159.074 22.1089 -23.2539 -101.393 -23.2546 -269.732 GPRESSURE: 3894400 -80.0374 -13.2391 -166.836 -72.4033 61.5036 38.4719 -57.8337 101.771 -290.779 PRESSAVG: 3894400 -18.5386 -79.2725 23.6477 -79.2726 27.3794 8.83773 23.6477 8.83781 21.6038 GPRESSAVG: 3894400 -19.0288 -79.3701 24.7945 -77.398 28.1792 8.57998 25.254 11.6273 20.6128 TIMING: 3894400 CPU: 12313.7, 0.00315292/step Wall: 12313.7, 0.00315292/step, 0.968298 hours remaining, 239.441406 MB of memory in use. ENERGY: 3894400 4003.9239 20561.7029 14424.8266 244.3723 -203498.1864 2545.9497 0.0000 0.0000 52057.6201 -109659.7909 299.1759 -161717.4110 -109301.4910 299.4329 -129.2508 -103.1042 761818.7497 10.1482 9.9211 PRESSURE: 3894600 -197.465 110.956 233.748 110.957 -103.223 -31.8816 233.749 -31.8821 -9.07309 GPRESSURE: 3894600 -167.359 70.2281 240.801 109.736 1.68098 -33.0692 177.604 -204.309 -66.7412 PRESSAVG: 3894600 3.6189 -20.3116 -69.4378 -20.3116 -30.6709 -25.1001 -69.4378 -25.1001 -21.1601 GPRESSAVG: 3894600 5.04782 -19.7661 -70.6374 -21.6885 -32.4528 -24.7191 -69.5641 -26.6548 -20.7866 TIMING: 3894600 CPU: 12314.3, 0.00313645/step Wall: 12314.3, 0.00313645/step, 0.963066 hours remaining, 239.441406 MB of memory in use. ENERGY: 3894600 3980.1657 20571.8909 14381.2763 265.7062 -202900.7719 2234.9379 0.0000 0.0000 51777.8444 -109688.9505 297.5680 -161466.7949 -109334.7187 298.5973 -103.2536 -77.4731 761747.3308 -16.0707 -16.0639 PRESSURE: 3894800 91.0454 128.142 -288.636 128.143 -193.797 229.499 -288.636 229.498 83.0195 GPRESSURE: 3894800 125.5 108.992 -263.836 112.021 -113.262 205.21 -221.691 257.711 67.9441 PRESSAVG: 3894800 8.89161 20.1753 -59.9771 20.1754 0.456367 -38.0347 -59.9772 -38.0347 7.20658 GPRESSAVG: 3894800 8.57794 19.939 -58.8823 19.8628 0.60139 -38.413 -60.9178 -37.6066 7.59047 TIMING: 3894800 CPU: 12314.9, 0.00314795/step Wall: 12314.9, 0.00314795/step, 0.966421 hours remaining, 239.441406 MB of memory in use. ENERGY: 3894800 3958.8243 20456.5003 14394.0957 238.6504 -203292.9210 2602.8491 0.0000 0.0000 52063.9184 -109578.0828 299.2121 -161642.0013 -109212.0931 298.6098 -6.5773 26.7272 759103.1667 5.5182 5.5899 PRESSURE: 3895000 -112.372 85.8906 -186.357 85.8919 -242.935 103.546 -186.358 103.546 -38.0278 GPRESSURE: 3895000 41.6725 64.9156 -217.905 64.5136 -288.103 94.2676 -186.254 99.3021 -43.6913 PRESSAVG: 3895000 2.00939 12.371 -27.5221 12.371 1.75823 -25.9585 -27.522 -25.9585 -18.482 GPRESSAVG: 3895000 1.82266 11.58 -28.5744 12.2097 1.41487 -25.6121 -27.8223 -27.7219 -18.1864 TIMING: 3895000 CPU: 12315.6, 0.00315488/step Wall: 12315.6, 0.00315488/step, 0.968374 hours remaining, 239.441406 MB of memory in use. ENERGY: 3895000 4010.2538 20573.1516 14439.6161 243.9309 -203472.0178 2891.9837 0.0000 0.0000 51903.2657 -109409.8159 298.2888 -161313.0816 -109050.9122 298.9437 -131.1114 -96.7072 762043.3868 -4.9048 -4.9830 PRESSURE: 3895200 73.0066 -315.704 38.5531 -315.704 -296.755 -261.417 38.5529 -261.418 304.094 GPRESSURE: 3895200 39.2153 -204.21 67.1122 -242.427 -206.49 -314.355 5.03389 -267.311 347.841 PRESSAVG: 3895200 41.0516 -7.08926 0.0447831 -7.08927 -25.0618 -33.6214 0.0447568 -33.6214 27.169 GPRESSAVG: 3895200 41.6128 -8.00834 -1.24673 -5.83753 -24.5507 -34.0315 2.3358 -31.5753 26.1601 TIMING: 3895200 CPU: 12316.2, 0.0031594/step Wall: 12316.2, 0.0031594/step, 0.969586 hours remaining, 239.441406 MB of memory in use. ENERGY: 3895200 4013.5059 20383.0139 14345.7724 242.2146 -203554.8297 2676.6567 0.0000 0.0000 52307.3786 -109586.2877 300.6112 -161893.6663 -109226.8544 299.4456 26.7818 60.1886 760545.5319 14.3863 14.4074 PRESSURE: 3895400 -17.5415 -1.29046 -63.2077 -1.28972 68.3828 -97.2751 -63.2079 -97.2735 289.976 GPRESSURE: 3895400 35.6241 35.9705 -46.626 85.2029 113.38 -81.2179 -41.8657 -127.02 300.786 PRESSAVG: 3895400 55.7041 -49.222 -37.1107 -49.222 -2.09759 -54.0553 -37.1107 -54.0553 6.878 GPRESSAVG: 3895400 53.0198 -47.5761 -35.8269 -47.5106 -0.793888 -53.7518 -39.398 -56.3331 8.07172 TIMING: 3895400 CPU: 12316.8, 0.00317061/step Wall: 12316.8, 0.00317061/step, 0.972848 hours remaining, 239.441406 MB of memory in use. ENERGY: 3895400 3930.0497 20537.2375 14474.3782 254.4725 -203175.1014 2482.1052 0.0000 0.0000 51906.8279 -109590.0305 298.3093 -161496.8583 -109231.4962 298.7951 113.6056 149.9299 760735.4775 20.1615 20.0992 PRESSURE: 3895600 -27.1866 -47.5585 -90.7828 -47.5584 -204.068 167.35 -90.7827 167.351 -145.683 GPRESSURE: 3895600 81.8246 -9.4313 -141.208 -6.02079 -207.56 155.329 61.9783 130.322 -161.3 PRESSAVG: 3895600 16.0136 -17.6458 -37.4774 -17.6458 -32.7339 -8.08754 -37.4775 -8.08761 19.8136 GPRESSAVG: 3895600 17.3111 -17.5085 -37.7604 -19.4649 -34.2656 -7.91745 -35.3297 -4.42671 19.7775 TIMING: 3895600 CPU: 12317.5, 0.00316035/step Wall: 12317.5, 0.00316035/step, 0.969525 hours remaining, 239.441406 MB of memory in use. ENERGY: 3895600 3997.2561 20429.0721 14411.9144 244.0601 -203321.3491 2558.3462 0.0000 0.0000 52048.8508 -109631.8494 299.1255 -161680.7001 -109266.5705 299.1149 -125.6459 -95.6784 760774.1744 1.0311 0.9410 PRESSURE: 3895800 -397.603 -130.645 -165.291 -130.645 198.432 -85.7969 -165.292 -85.7975 152.364 GPRESSURE: 3895800 -304.639 -44.5416 -66.2684 -85.8527 163.621 -165.136 -117.212 -99.6441 188.362 PRESSAVG: 3895800 56.5896 -25.8815 25.4441 -25.8814 -15.1796 -49.7421 25.4441 -49.7421 -11.3376 GPRESSAVG: 3895800 55.8483 -24.1515 24.5124 -27.9243 -14.9141 -50.9994 25.635 -51.3747 -10.6572 TIMING: 3895800 CPU: 12318.1, 0.00316146/step Wall: 12318.1, 0.00316146/step, 0.969691 hours remaining, 239.441406 MB of memory in use. ENERGY: 3895800 3917.8409 20540.3544 14378.9476 249.2538 -202958.7842 2392.7393 0.0000 0.0000 51946.3399 -109533.3084 298.5363 -161479.6482 -109175.8856 298.4717 -15.6025 15.7813 760061.2324 10.0241 10.0923 PRESSURE: 3896000 -275.836 34.9969 -105.749 34.9967 -22.1027 127.507 -105.749 127.508 94.1086 GPRESSURE: 3896000 -245.123 -49.7724 -156.678 -95.0232 18.6982 101.343 -73.5815 113.516 113.595 PRESSAVG: 3896000 29.7775 -48.508 -23.9489 -48.508 -25.4928 16.5655 -23.9489 16.5655 -8.2117 GPRESSAVG: 3896000 30.2042 -49.6375 -22.679 -48.1342 -25.2349 17.1685 -25.6292 15.7508 -9.33048 TIMING: 3896000 CPU: 12318.7, 0.00318111/step Wall: 12318.7, 0.00318111/step, 0.97554 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3896000 3951.1971 20482.9813 14433.5405 240.3271 -203488.4213 2647.2716 0.0000 0.0000 52185.6476 -109547.4561 299.9116 -161733.1037 -109177.7579 299.1046 -67.9434 -37.6098 761254.2986 -1.3090 -1.4537 PRESSURE: 3896200 -212.814 97.8655 -74.3225 97.8656 -102.691 -52.4139 -74.3223 -52.4131 0.291847 GPRESSURE: 3896200 -300.851 115.236 -52.7701 11.0283 -23.7842 22.1333 5.73733 -11.0524 94.9623 PRESSAVG: 3896200 7.55482 -44.3889 9.35055 -44.3889 21.9548 13.3964 9.35055 13.3963 -21.5499 GPRESSAVG: 3896200 5.40528 -46.6768 8.73925 -41.6527 23.3038 13.1589 10.3509 14.2556 -21.0542 TIMING: 3896200 CPU: 12319.4, 0.00318242/step Wall: 12319.4, 0.00318242/step, 0.975765 hours remaining, 239.441406 MB of memory in use. ENERGY: 3896200 3919.5318 20506.6086 14451.0169 260.2663 -203050.0975 2392.6691 0.0000 0.0000 51800.3464 -109719.6584 297.6973 -161520.0048 -109354.2354 298.9016 -105.0710 -76.5575 761657.2148 2.6532 2.5516 LDB: ============= START OF LOAD BALANCING ============== 12331.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12331.8 LDB: =============== DONE WITH MIGRATION ================ 12331.8 LDB: ============= START OF LOAD BALANCING ============== 12332.1 LDB: Largest compute 7078 load 0.034967 is 17.8% of average load 0.196064 LDB: Average compute 0.004397 is 2.2% of average load 0.196064 LDB: TIME 12332.1 LOAD: AVG 0.196064 MAX 0.215751 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.949 MB LDB: TIME 12332.1 LOAD: AVG 0.196064 MAX 0.215751 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.949 MB LDB: TIME 12332.1 LOAD: AVG 0.196064 MAX 0.215751 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.949 MB LDB: ============== END OF LOAD BALANCING =============== 12332.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12332.1 PRESSURE: 3896400 -526.305 -159.656 -279.831 -159.655 -406.661 -103.614 -279.832 -103.615 -133.354 GPRESSURE: 3896400 -402.251 -164.278 -260.799 -201.049 -458.765 -136.449 -245.448 -9.08613 -107.378 PRESSAVG: 3896400 38.9044 -21.094 -5.66878 -21.094 -0.18379 36.693 -5.66876 36.6928 19.7952 GPRESSAVG: 3896400 40.8062 -21.3115 -4.79006 -22.1316 -2.13041 35.7836 -4.61328 37.7897 19.3018 TIMING: 3896400 CPU: 12320, 0.00322815/step Wall: 12320, 0.00322815/step, 0.989607 hours remaining, 238.976562 MB of memory in use. ENERGY: 3896400 4017.4967 20355.0695 14460.1060 231.6305 -203407.9009 2481.6245 0.0000 0.0000 52088.8130 -109773.1606 299.3551 -161861.9736 -109399.0365 298.8751 -355.4400 -322.7978 760807.3577 19.5053 19.3259 PRESSURE: 3896600 -150.639 -18.3533 -304.597 -18.3523 -50.2441 -43.9202 -304.598 -43.9203 -86.3298 GPRESSURE: 3896600 -116.952 45.0447 -341.537 -32.1021 -23.9987 9.44801 -211.645 -138.585 -71.9826 PRESSAVG: 3896600 4.63861 -15.4652 -5.15425 -15.4652 -18.2067 32.0733 -5.15425 32.0733 -5.77828 GPRESSAVG: 3896600 4.29806 -12.67 -5.72656 -16.3035 -17.8431 32.9264 -9.30452 31.08 -5.64495 TIMING: 3896600 CPU: 12320.7, 0.00319574/step Wall: 12320.7, 0.00319574/step, 0.979494 hours remaining, 239.046875 MB of memory in use. ENERGY: 3896600 3906.0340 20579.2293 14498.4530 251.0337 -203862.7530 2646.1497 0.0000 0.0000 52191.6172 -109790.2360 299.9459 -161981.8532 -109432.6362 298.9810 -95.7375 -70.9776 761681.8785 -6.4488 -6.3967 PRESSURE: 3896800 37.7451 -69.0321 135.153 -69.0324 283.685 -84.7421 135.153 -84.7425 89.7621 GPRESSURE: 3896800 140.936 -149.627 175.401 63.0282 153.052 -161.175 332.866 10.3466 191.114 PRESSAVG: 3896800 -34.2734 -47.3653 -3.54396 -47.3653 -8.737 2.18339 -3.54393 2.18339 1.90188 GPRESSAVG: 3896800 -34.327 -48.6001 -2.11547 -45.8035 -9.04484 3.22805 -1.40162 2.22052 1.99965 TIMING: 3896800 CPU: 12321.3, 0.00317916/step Wall: 12321.3, 0.00317916/step, 0.974237 hours remaining, 239.046875 MB of memory in use. ENERGY: 3896800 4005.4603 20482.6856 14442.7169 239.4456 -203412.3519 2667.2094 0.0000 0.0000 51826.3094 -109748.5246 297.8465 -161574.8340 -109395.9026 298.8475 137.0642 161.7005 761642.0222 -13.7028 -13.7907 PRESSURE: 3897000 -39.0395 -71.4635 24.4605 -71.4633 13.51 78.5956 24.4606 78.5965 218.282 GPRESSURE: 3897000 43.4956 19.7142 -1.60775 -164.35 10.2327 141.68 109.887 37.454 214.8 PRESSAVG: 3897000 19.7463 -70.1592 -6.18413 -70.1592 -7.59407 -10.6947 -6.18412 -10.6947 -13.3888 GPRESSAVG: 3897000 19.3693 -69.4916 -6.51696 -70.9799 -7.47168 -12.6307 -5.76508 -10.0401 -13.1783 TIMING: 3897000 CPU: 12321.9, 0.00316508/step Wall: 12321.9, 0.00316508/step, 0.969744 hours remaining, 239.046875 MB of memory in use. ENERGY: 3897000 3964.0643 20476.6066 14492.3313 247.3157 -203507.2419 2660.3045 0.0000 0.0000 51960.4942 -109706.1253 298.6177 -161666.6195 -109352.8221 298.9301 64.2507 89.5095 760410.6676 -0.4122 -0.4269 PRESSURE: 3897200 -262.324 -100.275 -121.158 -100.275 -53.7442 2.85316 -121.158 2.85329 -485.119 GPRESSURE: 3897200 -185.882 -103.92 -144.976 -127.724 -55.3954 -20.8253 -12.8844 -38.0269 -476.72 PRESSAVG: 3897200 -17.7952 -21.7052 -30.954 -21.7052 29.6439 11.6097 -30.954 11.6097 -4.13872 GPRESSAVG: 3897200 -17.3273 -21.133 -31.0831 -22.3707 30.143 12.1353 -30.1318 11.1436 -4.68083 TIMING: 3897200 CPU: 12322.6, 0.00315521/step Wall: 12322.6, 0.00315521/step, 0.966546 hours remaining, 239.046875 MB of memory in use. ENERGY: 3897200 3921.5365 20558.6015 14461.3049 241.1563 -203332.8794 2573.5230 0.0000 0.0000 51924.3097 -109652.4474 298.4097 -161576.7572 -109294.5286 298.9285 -267.0624 -239.3327 759601.1279 2.5700 2.7116 PRESSURE: 3897400 244.998 -166.508 82.4929 -166.507 -1.26627 198.69 82.4936 198.69 320.521 GPRESSURE: 3897400 287.831 -97.2456 44.0164 -216.675 0.533392 199.814 122.563 205.981 359.145 PRESSAVG: 3897400 -53.259 6.18586 -43.9418 6.18581 18.6537 -19.1375 -43.9419 -19.1375 -8.00752 GPRESSAVG: 3897400 -52.8818 7.0648 -45.6029 4.04305 17.9193 -18.5646 -43.0258 -19.2259 -7.35903 TIMING: 3897400 CPU: 12323.2, 0.00316896/step Wall: 12323.2, 0.00316896/step, 0.970582 hours remaining, 239.046875 MB of memory in use. ENERGY: 3897400 3975.1797 20558.9935 14481.8666 243.2739 -203420.6959 2637.1887 0.0000 0.0000 52160.2560 -109363.9375 299.7657 -161524.1935 -109010.3611 298.9100 188.0840 215.8366 759633.9134 -14.2043 -14.1072 PRESSURE: 3897600 331.547 44.5648 151.363 44.5643 288.899 -174.093 151.362 -174.093 262.735 GPRESSURE: 3897600 412.03 -21.5956 98.6368 59.5775 263.903 -200.684 95.4324 -160.56 319.649 PRESSAVG: 3897600 45.6352 -37.9317 56.5391 -37.9316 -5.71029 -26.517 56.5391 -26.5169 21.405 GPRESSAVG: 3897600 44.5588 -37.3729 56.7512 -35.888 -4.28179 -26.4897 55.7304 -28.0609 21.3385 TIMING: 3897600 CPU: 12323.8, 0.00314564/step Wall: 12323.8, 0.00314564/step, 0.963265 hours remaining, 239.046875 MB of memory in use. ENERGY: 3897600 3937.0982 20469.2953 14403.7009 257.1270 -203482.3567 2682.5926 0.0000 0.0000 52222.9144 -109509.6282 300.1258 -161732.5426 -109143.9167 299.1960 294.3936 331.8605 759309.4663 20.4433 20.5385 PRESSURE: 3897800 -148.722 -16.6527 25.3407 -16.6533 -90.8902 -126.1 25.3409 -126.1 295.51 GPRESSURE: 3897800 -70.1167 73.2822 164.088 9.88205 -142.669 -12.1179 150.797 -150.096 328.369 PRESSAVG: 3897800 -7.82442 -19.767 -1.81379 -19.767 10.7576 -41.0546 -1.81377 -41.0546 -18.5107 GPRESSAVG: 3897800 -6.794 -21.3911 -0.870179 -18.7211 8.74127 -40.7137 -3.02219 -41.0054 -17.71 TIMING: 3897800 CPU: 12324.4, 0.0031469/step Wall: 12324.4, 0.0031469/step, 0.963476 hours remaining, 239.046875 MB of memory in use. ENERGY: 3897800 3989.3963 20486.0231 14399.4866 243.5299 -202981.8312 2436.6496 0.0000 0.0000 51767.2052 -109659.5405 297.5068 -161426.7457 -109299.3984 298.8047 18.6328 38.5275 760495.2107 -5.1925 -5.2543 PRESSURE: 3898000 178.334 43.8695 -200.281 43.8701 197.673 -90.2049 -200.281 -90.2058 73.9743 GPRESSURE: 3898000 133.492 21.9984 -133.959 62.4328 309.239 -48.9609 -244.429 -87.8989 93.6449 PRESSAVG: 3898000 6.75867 -12.8983 37.5641 -12.8982 2.79131 34.3323 37.5641 34.3323 30.2782 GPRESSAVG: 3898000 6.15767 -12.2261 37.9413 -13.6358 4.39429 33.1953 38.3411 36.4839 29.1589 TIMING: 3898000 CPU: 12325.1, 0.00314535/step Wall: 12325.1, 0.00314535/step, 0.962825 hours remaining, 239.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3898000 3973.7326 20481.3721 14385.5869 249.9123 -203880.7718 3108.0446 0.0000 0.0000 51949.1344 -109732.9889 298.5524 -161682.1233 -109369.1476 298.6237 149.9941 178.7919 761607.1815 13.2761 13.2370 PRESSURE: 3898200 -19.8391 -117.176 -158.162 -117.177 14.7247 246.776 -158.161 246.777 209.584 GPRESSURE: 3898200 128.5 -32.472 -243.297 1.75334 59.1632 289.201 -148.16 265.473 123.464 PRESSAVG: 3898200 35.1632 -47.7552 3.6808 -47.7552 4.66054 79.9122 3.68077 79.9124 10.7881 GPRESSAVG: 3898200 35.8417 -49.0552 1.90582 -46.229 3.55413 81.4157 3.72167 79.5655 11.0475 TIMING: 3898200 CPU: 12325.7, 0.00316964/step Wall: 12325.7, 0.00316964/step, 0.970086 hours remaining, 239.046875 MB of memory in use. ENERGY: 3898200 4009.4365 20359.5664 14383.8428 281.4562 -203783.6244 2875.2826 0.0000 0.0000 52201.9394 -109672.1004 300.0053 -161874.0398 -109303.5117 298.5211 68.1566 103.7091 760634.8499 16.8706 16.8144 PRESSURE: 3898400 405.819 -393.699 80.5158 -393.699 -164.357 171.757 80.5156 171.756 29.8124 GPRESSURE: 3898400 412.856 -281.478 143.697 -295.888 -136.185 235.376 87.3887 63.7318 95.0094 PRESSAVG: 3898400 54.3141 -5.75027 28.3759 -5.7502 -48.2919 32.5157 28.3759 32.5158 -43.4717 GPRESSAVG: 3898400 54.3822 -6.58664 30.0478 -5.63978 -49.1546 31.8083 28.2195 32.0143 -43.0323 TIMING: 3898400 CPU: 12326.3, 0.0031686/step Wall: 12326.3, 0.0031686/step, 0.969592 hours remaining, 239.046875 MB of memory in use. ENERGY: 3898400 3878.8897 20338.0300 14434.2985 247.4363 -203237.4027 2666.5205 0.0000 0.0000 51932.9799 -109739.2478 298.4595 -161672.2277 -109375.6671 298.7875 90.4245 123.8932 761209.0213 -12.4832 -12.6015 PRESSURE: 3898600 -74.4478 80.7715 -82.9589 80.772 -127.013 148.775 -82.9588 148.774 -328.932 GPRESSURE: 3898600 -15.0789 96.8446 -109.82 72.1975 -146.522 84.7356 21.2752 195.327 -278.526 PRESSAVG: 3898600 44.9166 -11.0157 20.1621 -11.0158 -50.5774 18.7703 20.1621 18.7702 9.30543 GPRESSAVG: 3898600 44.4128 -8.46624 18.6624 -12.4393 -49.1176 18.9054 20.8482 18.3923 8.59643 TIMING: 3898600 CPU: 12327, 0.00317672/step Wall: 12327, 0.00317672/step, 0.9719 hours remaining, 239.046875 MB of memory in use. ENERGY: 3898600 3985.6867 20486.1314 14496.1481 240.1271 -203318.8976 2466.8139 0.0000 0.0000 51945.1341 -109698.8563 298.5294 -161643.9904 -109342.4207 298.7062 -176.7975 -146.7091 763588.5646 1.2149 1.2972 PRESSURE: 3898800 65.2526 163.232 -9.10531 163.232 -237.315 -98.36 -9.10509 -98.3596 174.832 GPRESSURE: 3898800 51.5108 204.38 -3.4827 158.904 -148.052 -107.47 -23.005 -110.417 204.221 PRESSAVG: 3898800 -25.9926 -12.7837 35.6695 -12.7837 -12.9663 19.2127 35.6695 19.2127 3.38704 GPRESSAVG: 3898800 -26.087 -15.4324 35.2124 -11.6986 -12.2664 18.382 35.2919 21.0792 2.99293 TIMING: 3898800 CPU: 12327.6, 0.00314697/step Wall: 12327.6, 0.00314697/step, 0.962623 hours remaining, 239.046875 MB of memory in use. ENERGY: 3898800 3975.3373 20473.4660 14433.3076 248.4559 -203535.3077 2840.3049 0.0000 0.0000 51794.6592 -109769.7769 297.6646 -161564.4360 -109419.4605 298.0286 0.9231 35.8931 762041.1637 -11.8573 -11.7868 PRESSURE: 3899000 -44.4368 -142.479 8.00957 -142.479 29.789 -111.293 8.01043 -111.292 203.55 GPRESSURE: 3899000 -30.4541 -81.4879 82.1952 -154.439 52.5187 -78.9901 -174.126 -131.719 244.136 PRESSAVG: 3899000 7.95816 -46.7789 8.29906 -46.7789 -39.0999 -23.5245 8.29909 -23.5244 10.2515 GPRESSAVG: 3899000 7.43287 -46.0055 9.21345 -48.8366 -39.0759 -21.8962 9.52657 -26.2882 10.6718 TIMING: 3899000 CPU: 12328.2, 0.00318383/step Wall: 12328.2, 0.00318383/step, 0.973722 hours remaining, 239.046875 MB of memory in use. ENERGY: 3899000 4034.9163 20447.3824 14419.5531 255.2106 -203698.7350 3098.7997 0.0000 0.0000 51729.3067 -109713.5662 297.2890 -161442.8729 -109360.0435 298.4621 62.9673 88.7336 762525.2842 -6.9634 -6.9904 PRESSURE: 3899200 -128.593 -284.723 -101.034 -284.723 -203.02 57.3479 -101.033 57.3468 -78.6108 GPRESSURE: 3899200 -76.5011 -287.477 -121.428 -238.556 -218.493 80.3314 -225.599 -74.6144 -33.9014 PRESSAVG: 3899200 -0.330838 -18.9272 -30.7851 -18.9272 26.2971 -6.37636 -30.7851 -6.37644 -17.9332 GPRESSAVG: 3899200 1.29431 -18.8977 -30.9805 -17.7771 25.3266 -7.47847 -32.1476 -7.15466 -18.9534 TIMING: 3899200 CPU: 12328.9, 0.00317117/step Wall: 12328.9, 0.00317117/step, 0.969674 hours remaining, 239.046875 MB of memory in use. ENERGY: 3899200 4003.0761 20416.9372 14458.3987 231.6962 -203767.5915 2906.2041 0.0000 0.0000 52162.8631 -109588.4161 299.7807 -161751.2792 -109235.5799 298.3053 -136.7412 -109.6320 761096.3825 2.6777 2.5559 PRESSURE: 3899400 -58.8757 192.987 80.0085 192.986 119.118 1.94507 80.0088 1.94478 85.3601 GPRESSURE: 3899400 -78.6722 107.162 40.3659 117.148 132.388 -97.2813 113.997 7.30166 178.847 PRESSAVG: 3899400 42.8945 12.8509 4.89835 12.8509 -10.5268 -62.2274 4.89838 -62.2274 3.29293 GPRESSAVG: 3899400 41.4253 13.5172 4.42259 11.9326 -11.0925 -63.1609 6.45317 -57.5464 4.72694 TIMING: 3899400 CPU: 12329.5, 0.00315985/step Wall: 12329.5, 0.00315985/step, 0.966038 hours remaining, 239.046875 MB of memory in use. ENERGY: 3899400 3961.5660 20404.9747 14427.8383 262.7908 -203562.3846 2773.7913 0.0000 0.0000 51926.4688 -109804.9546 298.4221 -161731.4235 -109449.0581 298.5402 48.5341 77.5210 762039.4302 11.8869 11.6866 PRESSURE: 3899600 116.498 -209.966 -7.1759 -209.966 205.333 87.4859 -7.17585 87.4876 53.4513 GPRESSURE: 3899600 106.024 -145.214 21.5335 -130.45 330.965 73.9607 43.3822 145.348 24.6359 PRESSAVG: 3899600 41.0134 -1.89463 24.3007 -1.89463 18.5675 -23.5994 24.3007 -23.5994 16.0172 GPRESSAVG: 3899600 40.489 -1.98747 25.7234 -1.32471 19.1695 -24.4344 21.6804 -25.4978 15.6527 TIMING: 3899600 CPU: 12330.1, 0.00315638/step Wall: 12330.1, 0.00315638/step, 0.9648 hours remaining, 239.046875 MB of memory in use. ENERGY: 3899600 3965.8901 20263.1277 14470.4919 257.2767 -203428.3032 2615.6054 0.0000 0.0000 51880.5201 -109975.3911 298.1581 -161855.9113 -109626.1539 298.3366 125.0940 153.8750 762248.6121 25.1994 25.1037 PRESSURE: 3899800 -227.94 -60.8275 -43.6206 -60.8264 -468.002 -54.873 -43.6212 -54.8732 23.7278 GPRESSURE: 3899800 -168.889 -93.8795 -40.0252 6.85243 -413.896 -121.734 -52.5285 23 16.7025 PRESSAVG: 3899800 -1.15331 0.576392 27.4656 0.576349 10.4851 -19.2374 27.4656 -19.2374 0.0395704 GPRESSAVG: 3899800 -0.960506 -0.467898 26.138 0.802288 9.38523 -17.7417 29.5909 -19.4067 0.517914 TIMING: 3899800 CPU: 12330.8, 0.00318023/step Wall: 12330.8, 0.00318023/step, 0.971915 hours remaining, 239.046875 MB of memory in use. ENERGY: 3899800 3950.1242 20389.3759 14489.4311 247.3397 -203201.5099 2581.6964 0.0000 0.0000 51857.7556 -109685.7869 298.0272 -161543.5426 -109315.3430 298.1076 -224.0716 -188.6939 764315.9457 3.1238 2.9809 PRESSURE: 3900000 211.121 -120.08 -35.6026 -120.08 -212.53 -66.6761 -35.6025 -66.6763 63.3529 GPRESSURE: 3900000 211.958 -49.5614 -14.3806 -65.9875 -128.952 -54.8912 87.8858 -16.9011 70.018 PRESSAVG: 3900000 49.1125 -56.7642 83.2166 -56.7642 -22.5243 0.218683 83.2165 0.218649 31.2549 GPRESSAVG: 3900000 49.9532 -56.281 84.7863 -56.1819 -21.8836 1.81449 82.1136 1.34263 29.5786 TIMING: 3900000 CPU: 12331.4, 0.0031822/step Wall: 12331.4, 0.00318219/step, 0.972337 hours remaining, 239.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3900000 4008.0132 20420.1459 14539.0074 258.2247 -203631.9005 2811.0318 0.0000 0.0000 51838.9849 -109756.4926 297.9194 -161595.4775 -109404.0803 298.2790 20.6481 51.0081 763219.7576 19.2810 19.2161 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3900200 -324.802 10.9718 4.17271 10.9725 15.747 134.979 4.17256 134.98 -248.768 GPRESSURE: 3900200 -272.481 20.7702 25.6631 78.3557 10.215 141.282 128.444 138.318 -218.373 PRESSAVG: 3900200 -11.69 -40.1853 46.4283 -40.1853 9.53701 9.50572 46.4283 9.50574 -6.14166 GPRESSAVG: 3900200 -12.4451 -39.9397 45.4608 -39.0367 8.30828 7.893 45.581 9.67749 -4.41099 TIMING: 3900200 CPU: 12332.1, 0.00329505/step Wall: 12332.1, 0.00329505/step, 1.00664 hours remaining, 239.046875 MB of memory in use. ENERGY: 3900200 3970.7994 20565.7367 14487.2503 264.4134 -203889.1743 2851.3493 0.0000 0.0000 52082.1663 -109667.4590 299.3169 -161749.6253 -109308.4596 298.4392 -185.9408 -160.2132 762618.8507 -2.7649 -2.8493 LDB: ============= START OF LOAD BALANCING ============== 12344.5 LDB: ============== END OF LOAD BALANCING =============== 12344.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12344.5 LDB: ============= START OF LOAD BALANCING ============== 12344.8 LDB: Largest compute 7034 load 0.034673 is 17.7% of average load 0.195978 LDB: Average compute 0.004393 is 2.2% of average load 0.195978 LDB: TIME 12344.8 LOAD: AVG 0.195978 MAX 0.218851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.266 MB LDB: TIME 12344.8 LOAD: AVG 0.195978 MAX 0.218851 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 12344.8 LOAD: AVG 0.195978 MAX 0.218722 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 12344.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12344.8 PRESSURE: 3900400 -1.83199 158.464 -87.6597 158.464 -231.583 77.0162 -87.6601 77.0169 -398.627 GPRESSURE: 3900400 83.3391 144.388 -172.968 90.5936 -308.837 68.3275 -108.277 68.1687 -345.662 PRESSAVG: 3900400 -47.5257 -2.69892 50.2307 -2.69892 5.10965 8.00927 50.2307 8.00923 11.5653 GPRESSAVG: 3900400 -47.4875 -1.89684 51.9188 -4.91312 5.51222 8.56916 50.1519 3.68091 11.2645 TIMING: 3900400 CPU: 12332.7, 0.00322615/step Wall: 12332.7, 0.00322615/step, 0.98541 hours remaining, 239.500000 MB of memory in use. ENERGY: 3900400 3997.6453 20563.6977 14367.1380 251.1372 -203475.1230 2555.2095 0.0000 0.0000 51943.6433 -109796.6520 298.5208 -161740.2953 -109437.2749 298.2921 -210.6806 -190.3868 763781.7323 -10.2836 -10.2370 PRESSURE: 3900600 -132.698 234.683 -14.7471 234.683 100.154 143.834 -14.7448 143.835 -11.2895 GPRESSURE: 3900600 -137.443 231.212 -49.5751 104.97 133.715 151.878 -20.0905 112.889 53.5215 PRESSAVG: 3900600 -44.3726 19.8279 4.95873 19.828 36.4683 -40.1971 4.95875 -40.1971 -0.992473 GPRESSAVG: 3900600 -43.6722 17.5038 3.54753 20.7293 36.2567 -41.5574 5.44212 -35.2388 -1.08696 TIMING: 3900600 CPU: 12333.4, 0.00318932/step Wall: 12333.4, 0.00318932/step, 0.973984 hours remaining, 239.500000 MB of memory in use. ENERGY: 3900600 3981.5816 20515.0031 14441.9586 249.3275 -204068.4953 3164.4868 0.0000 0.0000 52043.3082 -109672.8295 299.0936 -161716.1377 -109314.9217 298.5156 -14.6113 16.5980 762563.9200 -2.9656 -2.8342 PRESSURE: 3900800 284.824 -3.22212 -33.1909 -3.22205 66.0519 -127.651 -33.19 -127.651 -32.4323 GPRESSURE: 3900800 251.393 -88.2545 69.2652 91.059 173.908 -92.9004 -159.471 -66.8296 -4.40869 PRESSAVG: 3900800 -20.4247 -22.4651 -38.2725 -22.4651 19.4044 -16.287 -38.2725 -16.287 -23.9685 GPRESSAVG: 3900800 -20.2765 -21.2701 -38.1557 -21.3414 20.2282 -14.2159 -39.5871 -20.0421 -25.0196 TIMING: 3900800 CPU: 12334, 0.00315929/step Wall: 12334, 0.00315929/step, 0.964635 hours remaining, 239.500000 MB of memory in use. ENERGY: 3900800 3966.9008 20430.2245 14418.2740 247.6418 -204185.7269 3053.4126 0.0000 0.0000 52279.3132 -109789.9599 300.4499 -162069.2731 -109417.1726 298.9682 106.1479 140.2977 761669.1875 -8.3296 -8.3560 PRESSURE: 3901000 -187.941 99.2737 85.484 99.2737 61.6229 204.455 85.4848 204.456 139.64 GPRESSURE: 3901000 -110.518 37.7682 61.0511 -5.21564 36.4844 266.486 -14.2925 181.01 176.089 PRESSAVG: 3901000 -57.5033 -44.7273 -50.7913 -44.7274 32.0817 8.42574 -50.7913 8.42579 10.4166 GPRESSAVG: 3901000 -57.1341 -43.5456 -50.256 -46.0698 31.2926 7.11219 -51.3329 10.1281 10.5369 TIMING: 3901000 CPU: 12334.6, 0.00317836/step Wall: 12334.6, 0.00317836/step, 0.970282 hours remaining, 239.500000 MB of memory in use. ENERGY: 3901000 4035.3319 20385.4168 14445.1428 267.9671 -203805.1669 2759.6039 0.0000 0.0000 52059.5400 -109852.1645 299.1869 -161911.7044 -109485.1138 298.9394 4.4405 34.0183 761518.1674 -5.0017 -5.1016 PRESSURE: 3901200 223.533 101.119 -144.385 101.119 219.414 -78.899 -144.385 -78.8985 173.676 GPRESSURE: 3901200 244.208 67.1284 -63.5279 27.1787 310.422 -79.9495 -63.5929 -61.623 154.207 PRESSAVG: 3901200 -78.2739 -11.8514 -24.3342 -11.8515 78.2437 10.2296 -24.3341 10.2296 -0.883665 GPRESSAVG: 3901200 -78.7431 -13.8096 -26.6134 -12.5224 79.5521 9.93791 -22.3707 11.5496 -1.42081 TIMING: 3901200 CPU: 12335.3, 0.00315977/step Wall: 12335.3, 0.00315977/step, 0.964433 hours remaining, 239.500000 MB of memory in use. ENERGY: 3901200 4012.6285 20512.6989 14485.3893 246.6655 -203632.6136 2559.7340 0.0000 0.0000 52142.9253 -109672.5720 299.6661 -161815.4974 -109311.8979 299.1994 205.5410 236.2791 758785.3962 -0.3046 -0.2039 PRESSURE: 3901400 -160.378 -19.2071 -178.732 -19.207 -158.524 -53.1357 -178.731 -53.1357 22.199 GPRESSURE: 3901400 -128.275 -121.214 -131.867 -36.0655 -34.2892 -99.1566 -205.844 -17.5929 -54.9828 PRESSAVG: 3901400 -86.5342 5.72577 -84.4653 5.72576 55.9734 -20.6137 -84.4653 -20.6136 -32.1888 GPRESSAVG: 3901400 -86.6241 5.83635 -81.4187 7.42752 55.7681 -20.6454 -86.0189 -22.2891 -32.0128 TIMING: 3901400 CPU: 12335.9, 0.00315859/step Wall: 12335.9, 0.00315859/step, 0.963898 hours remaining, 239.500000 MB of memory in use. ENERGY: 3901400 4000.6459 20670.2114 14446.4965 227.1714 -203416.0829 2400.6580 0.0000 0.0000 51971.9962 -109698.9035 298.6838 -161670.8997 -109331.8491 298.9908 -98.9011 -72.5155 761662.2217 -20.9165 -20.9563 PRESSURE: 3901600 -46.0836 -2.22873 -129.637 -2.22797 -101.281 -91.3701 -129.637 -91.3711 99.2141 GPRESSURE: 3901600 -79.9884 -8.03549 -114.542 -84.6723 -53.4017 14.5901 -136.64 -84.4243 178.829 PRESSAVG: 3901600 -40.4463 35.7362 -15.0126 35.7362 -22.8301 -17.2892 -15.0125 -17.2892 35.823 GPRESSAVG: 3901600 -41.048 36.8643 -16.3753 34.7753 -22.5138 -15.6594 -13.5064 -16.3246 36.6598 TIMING: 3901600 CPU: 12336.5, 0.00314816/step Wall: 12336.5, 0.00314816/step, 0.960537 hours remaining, 239.500000 MB of memory in use. ENERGY: 3901600 4029.6752 20412.8866 14402.0680 248.2831 -203595.2273 2847.2387 0.0000 0.0000 51913.5180 -109741.5578 298.3477 -161655.0757 -109379.6915 298.5549 -16.0501 15.1462 760828.9941 -9.1511 -8.9673 PRESSURE: 3901800 77.6965 -97.7926 123.631 -97.7933 -28.039 -52.9302 123.631 -52.9307 70.6655 GPRESSURE: 3901800 51.9842 -149.175 46.5197 -23.1677 114.737 26.3105 154.628 -20.8854 45.4719 PRESSAVG: 3901800 -11.5779 12.7479 -11.6778 12.7479 6.17701 -59.4337 -11.6779 -59.4336 -32.5667 GPRESSAVG: 3901800 -11.2184 12.072 -10.4536 13.1206 4.88578 -60.4306 -12.3376 -59.3515 -31.6576 TIMING: 3901800 CPU: 12337.1, 0.00315149/step Wall: 12337.1, 0.0031515/step, 0.961381 hours remaining, 239.500000 MB of memory in use. ENERGY: 3901800 4018.5828 20556.1416 14391.6947 233.1605 -203608.2385 2472.5684 0.0000 0.0000 52059.6406 -109876.4499 299.1875 -161936.0905 -109525.4802 298.5151 40.1077 70.7309 760455.0590 -12.6559 -12.6634 PRESSURE: 3902000 124.053 24.9363 -87.2816 24.935 -168.637 213.488 -87.2819 213.489 -175.808 GPRESSURE: 3902000 144.932 50.8566 -47.3992 -6.94888 -43.0157 251.727 -65.2105 162.05 -233.654 PRESSAVG: 3902000 38.1383 -17.6104 33.3992 -17.6104 -22.1795 -21.1923 33.3992 -21.1923 -14.7826 GPRESSAVG: 3902000 39.0055 -18.668 32.8276 -17.6419 -21.9883 -20.5434 31.8355 -22.05 -16.0306 TIMING: 3902000 CPU: 12337.8, 0.00319075/step Wall: 12337.8, 0.00319075/step, 0.973179 hours remaining, 239.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3902000 3941.2271 20634.4829 14485.0913 256.6486 -203252.1341 2199.2852 0.0000 0.0000 51791.5798 -109943.8193 297.6469 -161735.3991 -109573.0306 298.7480 -73.4642 -43.9125 762520.0489 0.3921 0.3289 PRESSURE: 3902200 16.0002 -139.494 -48.0793 -139.493 227.336 336.404 -48.0793 336.403 -180.51 GPRESSURE: 3902200 13.3134 -95.852 -51.569 -210.66 232.365 348.89 -109.873 166.536 -115.522 PRESSAVG: 3902200 5.42375 -23.8189 -8.36964 -23.8188 19.5184 3.96355 -8.36958 3.96365 28.9057 GPRESSAVG: 3902200 4.43247 -24.2332 -8.18416 -21.312 20.2647 2.38376 -6.73849 4.34009 29.4628 TIMING: 3902200 CPU: 12338.4, 0.00319763/step Wall: 12338.4, 0.00319763/step, 0.975101 hours remaining, 239.500000 MB of memory in use. ENERGY: 3902200 4006.8514 20532.7010 14367.0852 230.4322 -203859.3276 2968.8512 0.0000 0.0000 51970.1889 -109783.2175 298.6734 -161753.4065 -109432.8185 298.7304 20.9420 43.3855 761829.5082 17.9493 18.0533 PRESSURE: 3902400 -220.586 47.3647 404.393 47.365 -94.0629 -32.6729 404.393 -32.673 -531.423 GPRESSURE: 3902400 -256.651 77.1569 469.664 64.6339 22.9153 -30.1207 214.105 -41.5217 -533.076 PRESSAVG: 3902400 9.90199 -48.1247 25.4421 -48.1247 -8.53672 47.0737 25.4422 47.0737 7.49517 GPRESSAVG: 3902400 9.3571 -46.9144 25.8319 -47.871 -7.38142 45.2819 24.2374 48.3387 6.24914 TIMING: 3902400 CPU: 12339.1, 0.0031776/step Wall: 12339.1, 0.0031776/step, 0.968814 hours remaining, 239.500000 MB of memory in use. ENERGY: 3902400 4058.6316 20550.2626 14413.4139 250.2304 -203749.8440 2483.6548 0.0000 0.0000 52193.4606 -109800.1900 299.9565 -161993.6506 -109449.7265 298.9831 -282.0240 -255.6039 761038.2162 2.9535 2.7416 PRESSURE: 3902600 -249.468 -57.207 193.208 -57.2072 -67.3659 2.17515 193.21 2.17564 34.9229 GPRESSURE: 3902600 -109.785 -41.6564 288.715 -93.7118 -151.56 95.2841 76.7666 -3.46356 93.1035 PRESSAVG: 3902600 31.9275 -57.7064 15.5286 -57.7063 11.8951 -34.5329 15.5286 -34.5328 -15.6109 GPRESSAVG: 3902600 32.608 -56.8106 16.2873 -61.9326 10.2887 -30.7599 15.9153 -36.5951 -14.6256 TIMING: 3902600 CPU: 12339.7, 0.00316135/step Wall: 12339.7, 0.00316135/step, 0.963684 hours remaining, 239.500000 MB of memory in use. ENERGY: 3902600 3988.7179 20465.5989 14497.2335 252.2562 -203329.8402 2236.0178 0.0000 0.0000 51894.1531 -109995.8628 298.2364 -161890.0159 -109630.3832 298.5721 -93.9703 -56.0804 760459.4171 9.4039 9.4237 PRESSURE: 3902800 -322.751 -216.83 188.934 -216.83 24.7992 -23.5721 188.935 -23.5711 -137.598 GPRESSURE: 3902800 -254.231 -144.602 176.912 -238.7 -3.98765 -37.2473 238.372 20.3982 -118.197 PRESSAVG: 3902800 51.3849 -23.3711 27.8444 -23.3711 -6.88439 -27.3966 27.8444 -27.3966 3.23426 GPRESSAVG: 3902800 51.6847 -23.454 26.1015 -19.9581 -8.82622 -28.6618 28.3598 -24.2102 4.61281 TIMING: 3902800 CPU: 12340.3, 0.00317547/step Wall: 12340.3, 0.00317547/step, 0.967813 hours remaining, 239.500000 MB of memory in use. ENERGY: 3902800 4017.0517 20493.6574 14432.8687 252.3002 -203987.6068 2848.3471 0.0000 0.0000 52042.8105 -109900.5712 299.0907 -161943.3817 -109531.7818 298.8214 -145.1833 -125.4718 760533.9610 15.9116 15.8238 PRESSURE: 3903000 -111.135 189.169 234.869 189.17 -457.578 105.323 234.869 105.323 29.0894 GPRESSURE: 3903000 -70.2393 163.646 209.479 134.643 -370.578 -41.0139 201.315 58.3964 15.3489 PRESSAVG: 3903000 17.0203 -52.0084 23.4844 -52.0085 -17.7457 -19.658 23.4844 -19.658 0.509685 GPRESSAVG: 3903000 16.8173 -54.5732 24.4673 -51.3703 -16.1596 -20.6566 22.3936 -20.9389 -0.814441 TIMING: 3903000 CPU: 12341, 0.00316044/step Wall: 12341, 0.00316044/step, 0.963055 hours remaining, 239.500000 MB of memory in use. ENERGY: 3903000 3979.3841 20457.5377 14452.3555 242.5724 -203399.1149 2290.8537 0.0000 0.0000 52194.4014 -109782.0100 299.9619 -161976.4114 -109413.5818 298.2620 -179.8746 -141.8227 761806.0769 -0.0719 -0.0522 PRESSURE: 3903200 -105.98 -55.0103 104.36 -55.0112 124.926 125.993 104.36 125.994 -305.448 GPRESSURE: 3903200 -54.1802 -39.4842 115.953 -84.8562 72.2896 96.787 -11.8776 138.789 -221.827 PRESSAVG: 3903200 27.2504 33.7992 26.4882 33.7991 -43.5534 -25.0443 26.4881 -25.0444 17.2934 GPRESSAVG: 3903200 27.389 35.796 26.9156 31.3056 -45.1023 -25.4562 26.5399 -24.8087 18.7527 TIMING: 3903200 CPU: 12341.6, 0.00314698/step Wall: 12341.6, 0.00314698/step, 0.958779 hours remaining, 239.500000 MB of memory in use. ENERGY: 3903200 3974.7463 20512.4168 14463.9726 251.9223 -203694.1988 2788.5655 0.0000 0.0000 51985.0001 -109717.5752 298.7585 -161702.5753 -109345.4897 298.1493 -95.5008 -67.9059 760218.9806 0.3301 0.3465 PRESSURE: 3903400 -181.895 53.4114 116.901 53.4115 -21.6852 -171.97 116.9 -171.969 50.82 GPRESSURE: 3903400 -150.892 -67.8453 91.1975 166.115 26.7385 -170.327 85.0861 -102.452 79.6018 PRESSAVG: 3903400 11.6816 -9.51938 13.0839 -9.51934 -17.1067 -13.3243 13.0839 -13.3244 -18.8652 GPRESSAVG: 3903400 11.1378 -10.244 11.1599 -8.30658 -15.0926 -11.3484 11.8508 -14.9453 -19.5941 TIMING: 3903400 CPU: 12342.2, 0.00315705/step Wall: 12342.2, 0.00315705/step, 0.961673 hours remaining, 239.500000 MB of memory in use. ENERGY: 3903400 4036.8636 20519.5258 14478.6418 245.1325 -203639.2085 2595.1452 0.0000 0.0000 52167.4241 -109596.4755 299.8069 -161763.8996 -109238.1575 298.5439 -50.9203 -14.8507 759882.2514 -8.0968 -7.8496 PRESSURE: 3903600 133.355 98.428 -110.57 98.4282 191.714 -189.296 -110.57 -189.296 -176.84 GPRESSURE: 3903600 206.944 137.84 -93.6297 0.656769 211.609 -166.567 -132.551 -178.046 -183.646 PRESSAVG: 3903600 4.28043 -9.49994 -0.466443 -9.49995 -8.15678 9.1641 -0.466461 9.16405 15.2734 GPRESSAVG: 3903600 4.79782 -7.65622 0.389387 -10.7879 -8.6242 8.84167 0.717422 10.4318 14.8725 TIMING: 3903600 CPU: 12342.9, 0.00316712/step Wall: 12342.9, 0.00316712/step, 0.964565 hours remaining, 239.500000 MB of memory in use. ENERGY: 3903600 4012.4345 20506.7751 14384.9184 254.1756 -203327.4962 2794.7267 0.0000 0.0000 51794.9908 -109579.4751 297.6665 -161374.4659 -109218.4066 298.7242 49.4098 78.3020 760718.0688 3.7990 3.6820 PRESSURE: 3903800 -22.5168 23.5599 180.044 23.5602 -209.607 75.4784 180.045 75.4775 -226.946 GPRESSURE: 3903800 -27.1329 27.6539 155.598 38.7265 -195.392 20.4647 126.393 183.263 -149.366 PRESSAVG: 3903800 51.5737 23.97 -18.2181 23.9701 -50.4018 10.422 -18.2181 10.422 -4.82223 GPRESSAVG: 3903800 51.6036 23.8645 -18.6436 26.0184 -51.0602 8.82071 -18.8156 11.2507 -4.49234 TIMING: 3903800 CPU: 12343.5, 0.00316015/step Wall: 12343.5, 0.00316015/step, 0.962265 hours remaining, 239.500000 MB of memory in use. ENERGY: 3903800 3952.2232 20579.1180 14357.6730 235.8229 -203460.2080 2657.1156 0.0000 0.0000 52101.1630 -109577.0923 299.4261 -161678.2553 -109206.5598 299.0504 -153.0232 -123.9637 760849.0778 -1.2168 -1.3163 PRESSURE: 3904000 -71.5513 9.39487 141.166 9.39471 -188.396 -28.3646 141.166 -28.3641 -251.3 GPRESSURE: 3904000 -87.6578 -12.6763 122.178 -6.17628 -185.68 20.3602 170.056 -9.84918 -165.614 PRESSAVG: 3904000 3.70167 19.332 -17.168 19.3321 -1.25108 -4.2914 -17.168 -4.29142 17.7 GPRESSAVG: 3904000 3.6357 17.6942 -17.3276 19.9454 -1.6499 -3.03131 -17.2829 -4.94583 18.58 TIMING: 3904000 CPU: 12344.1, 0.00318849/step Wall: 12344.1, 0.00318849/step, 0.970718 hours remaining, 239.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3904000 4007.5763 20526.9781 14452.1814 248.9426 -203473.6823 2524.0235 0.0000 0.0000 52073.5047 -109640.4756 299.2671 -161713.9803 -109268.7086 298.9730 -170.4157 -146.3171 761153.8210 6.7169 6.8553 PRESSURE: 3904200 -198.725 -212.723 -14.1765 -212.722 55.4995 -175.908 -14.1765 -175.909 170.905 GPRESSURE: 3904200 -125.891 -170.001 -37.5087 -122.025 77.2132 -235.176 74.9134 -54.1349 142.138 PRESSAVG: 3904200 29.5645 3.67229 -17.4319 3.67228 8.17034 -19.7736 -17.4319 -19.7736 7.62791 GPRESSAVG: 3904200 30.5541 5.16984 -18.3827 0.703382 8.34848 -19.4938 -15.1297 -21.2385 6.45435 TIMING: 3904200 CPU: 12344.8, 0.00315086/step Wall: 12344.8, 0.00315086/step, 0.959088 hours remaining, 239.500000 MB of memory in use. ENERGY: 3904200 3988.8061 20538.8214 14473.7247 268.1737 -203533.6633 2691.5092 0.0000 0.0000 51991.2357 -109581.3926 298.7943 -161572.6283 -109213.7590 299.1790 9.2265 31.1535 760618.8333 15.1209 15.1190 LDB: ============= START OF LOAD BALANCING ============== 12357.2 LDB: ============== END OF LOAD BALANCING =============== 12357.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12357.2 LDB: ============= START OF LOAD BALANCING ============== 12357.5 LDB: Largest compute 7078 load 0.034055 is 17.4% of average load 0.196160 LDB: Average compute 0.004386 is 2.2% of average load 0.196160 LDB: TIME 12357.5 LOAD: AVG 0.19616 MAX 0.218537 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.406 MB LDB: TIME 12357.5 LOAD: AVG 0.19616 MAX 0.218537 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.406 MB LDB: TIME 12357.5 LOAD: AVG 0.19616 MAX 0.218537 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.406 MB LDB: ============== END OF LOAD BALANCING =============== 12357.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12357.5 PRESSURE: 3904400 6.14441 -255.196 -81.2135 -255.196 49.6323 -230.774 -81.2127 -230.775 80.8515 GPRESSURE: 3904400 21.5098 -70.1371 -36.6348 -345.112 92.7543 -179.658 -176.163 -166.077 80.499 PRESSAVG: 3904400 -4.08718 -49.0611 -47.7692 -49.0612 -22.116 -27.8588 -47.7692 -27.8588 -5.51882 GPRESSAVG: 3904400 -5.5051 -48.373 -46.0353 -49.9092 -21.826 -28.957 -49.985 -27.3163 -4.28293 TIMING: 3904400 CPU: 12345.4, 0.0032445/step Wall: 12345.4, 0.0032445/step, 0.987411 hours remaining, 238.789062 MB of memory in use. ENERGY: 3904400 3911.0516 20570.6281 14411.9189 254.3255 -203701.6540 2867.2828 0.0000 0.0000 52107.9068 -109578.5403 299.4649 -161686.4471 -109208.7363 299.2983 45.5427 64.9210 762450.3541 -10.5740 -10.5380 PRESSURE: 3904600 -44.3683 -111.559 -61.1889 -111.56 -133.632 -3.1423 -61.1888 -3.14188 70.6436 GPRESSURE: 3904600 -30.8958 -107.73 31.3133 -85.5987 -38.9041 11.9986 20.7411 41.593 32.777 PRESSAVG: 3904600 -22.489 -52.9616 -73.4757 -52.9616 21.3347 -46.5269 -73.4757 -46.5269 10.1412 GPRESSAVG: 3904600 -21.5604 -53.9254 -72.0663 -52.4665 21.0044 -45.6498 -73.0148 -48.5063 10.0246 TIMING: 3904600 CPU: 12346, 0.00315312/step Wall: 12346, 0.00315312/step, 0.959424 hours remaining, 238.933594 MB of memory in use. ENERGY: 3904600 4023.2063 20525.0209 14362.8982 255.3183 -203633.0076 2776.1848 0.0000 0.0000 52009.8922 -109680.4868 298.9016 -161690.3790 -109320.7179 298.9126 -35.7854 -12.3410 762347.1365 2.9957 3.1562 PRESSURE: 3904800 -35.409 68.6047 31.2212 68.6046 -79.3113 -26.8524 31.2213 -26.8529 -134.012 GPRESSURE: 3904800 -76.6446 32.6871 26.7118 128.736 -1.54128 -24.9573 93.1003 -154.19 -97.2248 PRESSAVG: 3904800 -22.4013 41.7094 18.8478 41.7094 -39.5727 -14.9553 18.8477 -14.9554 -6.12238 GPRESSAVG: 3904800 -23.7036 41.7752 16.322 40.8672 -38.8657 -15.5604 21.7116 -11.5995 -5.16289 TIMING: 3904800 CPU: 12346.7, 0.00315972/step Wall: 12346.7, 0.00315972/step, 0.961257 hours remaining, 238.933594 MB of memory in use. ENERGY: 3904800 3947.8961 20690.9255 14469.5308 238.3498 -203151.4563 2323.3945 0.0000 0.0000 51709.0994 -109772.2602 297.1729 -161481.3596 -109417.2584 298.7170 -82.9106 -58.4702 761686.9466 -22.6988 -22.5774 PRESSURE: 3905000 253.703 24.8794 -203.611 24.8793 6.36138 143.432 -203.611 143.432 -194.757 GPRESSURE: 3905000 238.109 5.35974 -146.388 -6.3915 130.487 161.313 -345.879 115.989 -206.929 PRESSAVG: 3905000 4.93824 70.6483 11.3525 70.6482 19.4064 -22.6233 11.3525 -22.6233 14.1391 GPRESSAVG: 3905000 6.24152 69.7309 10.8987 73.0943 18.4528 -23.2344 8.06458 -23.0665 14.05 TIMING: 3905000 CPU: 12347.3, 0.00317857/step Wall: 12347.3, 0.00317857/step, 0.966814 hours remaining, 238.933594 MB of memory in use. ENERGY: 3905000 4017.5045 20680.3553 14418.4013 227.8926 -203665.5752 2398.1248 0.0000 0.0000 51894.7827 -110028.5140 298.2400 -161923.2967 -109662.6629 298.3902 21.7693 53.8890 760811.1489 12.8279 12.9148 PRESSURE: 3905200 444.194 68.6571 -120.501 68.6576 163.945 75.2823 -120.501 75.2823 -231.41 GPRESSURE: 3905200 400.329 179.892 -57.8035 79.5907 257.105 138.397 -90.4937 14.8584 -212.354 PRESSAVG: 3905200 44.7937 -49.4468 3.41865 -49.4468 -30.8924 -21.0526 3.41865 -21.0526 -1.17446 GPRESSAVG: 3905200 43.9682 -47.0421 4.15109 -48.8601 -29.445 -19.9948 3.83639 -21.3984 -1.91363 TIMING: 3905200 CPU: 12347.9, 0.00318866/step Wall: 12347.9, 0.00318866/step, 0.969707 hours remaining, 238.933594 MB of memory in use. ENERGY: 3905200 4012.8784 20335.9983 14459.4385 249.2922 -204254.0496 3011.2429 0.0000 0.0000 51980.7462 -110204.4531 298.7341 -162185.1993 -109841.4638 298.1326 125.5761 148.3599 760142.3403 4.2423 4.2032 PRESSURE: 3905400 -270.858 146.528 -86.1145 146.528 -499.665 69.5865 -86.1147 69.5861 -224.906 GPRESSURE: 3905400 -366.623 160.517 -47.4908 173.033 -403.588 81.4791 -150.269 66.5458 -143.899 PRESSAVG: 3905400 39.428 28.8873 -19.5813 28.8873 -12.5656 -25.7045 -19.5813 -25.7046 -7.95468 GPRESSAVG: 3905400 39.4618 26.1503 -19.0126 28.8144 -12.5771 -26.1859 -18.651 -28.2527 -7.55701 TIMING: 3905400 CPU: 12348.6, 0.00321435/step Wall: 12348.6, 0.00321435/step, 0.97734 hours remaining, 238.933594 MB of memory in use. ENERGY: 3905400 4005.5676 20551.1645 14497.0161 237.9728 -203480.1499 2491.7349 0.0000 0.0000 51767.2635 -109929.4305 297.5072 -161696.6940 -109580.2354 298.5151 -331.8094 -304.7030 760593.4946 6.3026 6.4426 PRESSURE: 3905600 398.395 34.2029 -16.5966 34.2032 -12.6071 101.163 -16.5972 101.164 175.165 GPRESSURE: 3905600 388.632 -75.4143 -96.5629 161.892 2.4854 27.4791 -122.222 67.7292 239.811 PRESSAVG: 3905600 9.72682 26.0768 -72.8478 26.0768 5.53522 -36.4389 -72.8479 -36.4388 12.5282 GPRESSAVG: 3905600 9.59431 27.9002 -72.0193 24.1883 5.23385 -36.0695 -72.2879 -33.0148 12.7011 TIMING: 3905600 CPU: 12349.2, 0.00318923/step Wall: 12349.2, 0.00318923/step, 0.969527 hours remaining, 238.933594 MB of memory in use. ENERGY: 3905600 3902.3021 20674.6187 14436.6406 239.9772 -204302.6692 3001.1443 0.0000 0.0000 52182.1208 -109865.8653 299.8914 -162047.9861 -109502.6277 297.8464 186.9842 210.3095 760058.6419 9.2634 9.1764 PRESSURE: 3905800 -314.044 119.571 -14.0208 119.571 -19.1709 -75.0452 -14.0207 -75.0463 215.494 GPRESSURE: 3905800 -331.467 121.247 -18.178 114.324 57.7813 -77.6815 80.6207 -91.1689 251.294 PRESSAVG: 3905800 -3.46328 10.9479 -24.1337 10.9479 -24.4212 -84.7683 -24.1337 -84.7683 2.18352 GPRESSAVG: 3905800 -1.32787 12.6212 -24.5318 10.7302 -24.3186 -85.0602 -26.1171 -86.7289 0.23471 TIMING: 3905800 CPU: 12349.9, 0.00319513/step Wall: 12349.9, 0.00319513/step, 0.971143 hours remaining, 238.933594 MB of memory in use. ENERGY: 3905800 3933.6327 20526.0480 14473.9614 228.6364 -203930.9346 2691.6753 0.0000 0.0000 52140.9266 -109936.0542 299.6546 -162076.9808 -109573.9657 298.5484 -39.2403 -7.4639 761762.1427 -8.5670 -8.4706 PRESSURE: 3906000 189.865 168.938 -30.1194 168.939 -27.1682 -64.7485 -30.1197 -64.7487 -247.082 GPRESSURE: 3906000 214.674 100.249 -7.38638 161.632 30.2316 -19.4284 -115.012 -70.2085 -245.534 PRESSAVG: 3906000 -21.0108 -6.63885 -43.8904 -6.63883 43.123 -10.3734 -43.8904 -10.3734 -4.53443 GPRESSAVG: 3906000 -22.0516 -7.65554 -44.9307 -3.77775 42.3724 -10.3157 -41.6456 -9.64021 -2.87813 TIMING: 3906000 CPU: 12350.5, 0.00317295/step Wall: 12350.5, 0.00317295/step, 0.964223 hours remaining, 238.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3906000 3987.1280 20441.5683 14426.6251 242.8798 -203538.6153 2636.6131 0.0000 0.0000 51849.6801 -109954.1209 297.9808 -161803.8010 -109592.7991 298.5117 -28.1285 -0.2096 761441.0480 5.8592 5.8142 PRESSURE: 3906200 -70.8436 -167.409 117.241 -167.408 29.4316 -36.8685 117.242 -36.8682 32.913 GPRESSURE: 3906200 40.1324 -119.697 135.808 -115.44 19.4592 -46.3964 258.162 76.53 29.4634 PRESSAVG: 3906200 -14.4803 -39.7551 47.0079 -39.7551 26.3705 19.4076 47.0079 19.4076 8.91714 GPRESSAVG: 3906200 -13.8262 -40.9657 47.6953 -40.2123 25.4481 19.2919 46.6923 20.3217 9.47101 TIMING: 3906200 CPU: 12351.1, 0.00318505/step Wall: 12351.1, 0.00318505/step, 0.967725 hours remaining, 238.933594 MB of memory in use. ENERGY: 3906200 4028.1110 20468.9971 14411.0553 247.2820 -203901.5247 2812.7695 0.0000 0.0000 52040.7160 -109892.5939 299.0787 -161933.3099 -109537.5720 298.5665 -2.8330 29.6850 759417.1274 6.9358 7.0310 PRESSURE: 3906400 47.2109 -16.5828 70.6721 -16.5831 -65.146 -230.999 70.6721 -230.999 8.00587 GPRESSURE: 3906400 10.9716 -32.5738 28.3306 -0.14515 51.3175 -185.686 -9.58792 -163.53 2.9833 PRESSAVG: 3906400 3.22873 -40.9561 56.8409 -40.9561 23.0852 26.1166 56.8408 26.1166 0.144554 GPRESSAVG: 3906400 2.79797 -38.6373 58.4766 -41.2045 24.4773 25.8019 55.1454 27.9732 -0.715339 TIMING: 3906400 CPU: 12351.8, 0.00323093/step Wall: 12351.8, 0.00323093/step, 0.981484 hours remaining, 238.933594 MB of memory in use. ENERGY: 3906400 4051.2668 20596.5733 14415.3821 240.3574 -203719.5827 2688.4954 0.0000 0.0000 52151.4617 -109576.0458 299.7152 -161727.5076 -109222.7584 298.9473 -3.3097 21.7575 761296.4367 8.8195 8.8533 PRESSURE: 3906600 -106.232 -100.163 -132.641 -100.165 153.45 -199.308 -132.641 -199.307 -245.891 GPRESSURE: 3906600 -78.0204 -127.273 -129.051 -168.296 184.069 -140.237 -55.3961 -255.129 -207.635 PRESSAVG: 3906600 10.3782 -69.094 -11.2648 -69.0939 8.04452 -72.7139 -11.2649 -72.714 -10.4209 GPRESSAVG: 3906600 9.7135 -71.0045 -12.0751 -70.1107 9.42877 -71.2831 -11.6666 -76.0536 -10.7216 TIMING: 3906600 CPU: 12352.4, 0.00319917/step Wall: 12352.4, 0.00319917/step, 0.971658 hours remaining, 238.933594 MB of memory in use. ENERGY: 3906600 3983.8751 20443.4854 14420.3183 249.5100 -203307.3082 2646.4085 0.0000 0.0000 52113.3018 -109450.4090 299.4959 -161563.7108 -109099.1313 299.0445 -66.2242 -33.8621 760793.1069 2.6673 2.8069 PRESSURE: 3906800 -184.706 -5.08872 -7.70396 -5.0888 203.01 199.097 -7.70394 199.098 288.901 GPRESSURE: 3906800 -77.4594 22.6882 13.5502 16.7362 241.542 184.064 6.30202 197.032 219.95 PRESSAVG: 3906800 -88.6857 -62.9542 67.8161 -62.9542 84.8893 28.3729 67.8162 28.3729 9.90386 GPRESSAVG: 3906800 -86.8595 -63.3798 67.4635 -62.833 83.8423 26.1769 67.8223 29.3604 8.91741 TIMING: 3906800 CPU: 12353, 0.00316221/step Wall: 12353, 0.00316221/step, 0.960257 hours remaining, 238.933594 MB of memory in use. ENERGY: 3906800 3856.7069 20610.1203 14522.0976 242.7553 -203107.4252 2451.8158 0.0000 0.0000 51960.0293 -109463.9001 298.6150 -161423.9294 -109107.4731 298.9069 102.4019 128.0112 761171.6515 2.0358 1.9667 PRESSURE: 3907000 131.008 -34.4965 308.533 -34.4963 133.522 -266.629 308.533 -266.629 -173.632 GPRESSURE: 3907000 96.067 18.1995 358.732 -0.22987 135.69 -177.482 172.188 -306.808 -73.8012 PRESSAVG: 3907000 1.49589 -23.3493 90.061 -23.3493 0.416647 1.71307 90.0609 1.71309 -0.962372 GPRESSAVG: 3907000 1.12017 -21.3589 89.5803 -21.9542 0.101583 2.34625 91.0679 0.569025 -0.338591 TIMING: 3907000 CPU: 12353.7, 0.00316696/step Wall: 12353.7, 0.00316696/step, 0.961525 hours remaining, 238.933594 MB of memory in use. ENERGY: 3907000 3977.5354 20526.1539 14404.2288 246.7842 -203192.8530 2605.5712 0.0000 0.0000 51968.9720 -109463.6075 298.6664 -161432.5795 -109110.6273 299.6168 30.2995 52.6520 761469.1288 0.3167 0.2944 PRESSURE: 3907200 126.8 -96.0539 55.4778 -96.0529 -212.298 3.62242 55.477 3.62282 290.631 GPRESSURE: 3907200 84.9296 -112.368 82.6236 -166.078 -67.6744 49.0042 22.5378 33.5859 265.583 PRESSAVG: 3907200 -20.6576 -1.9198 79.6188 -1.91983 0.913354 45.9773 79.6188 45.9774 2.17572 GPRESSAVG: 3907200 -21.1318 -4.24779 80.5574 -0.204233 2.23478 45.9141 77.4226 47.6382 1.87504 TIMING: 3907200 CPU: 12354.3, 0.00319446/step Wall: 12354.3, 0.00319446/step, 0.969695 hours remaining, 238.933594 MB of memory in use. ENERGY: 3907200 3953.9392 20540.4309 14449.7408 246.8575 -203378.0757 2806.2721 0.0000 0.0000 51967.8075 -109413.0277 298.6597 -161380.8352 -109051.6649 298.9799 68.3778 94.2795 762401.3985 -5.8562 -5.6740 PRESSURE: 3907400 -311.617 22.513 159.366 22.5136 -41.6252 107.87 159.366 107.869 -119.109 GPRESSURE: 3907400 -241.617 118.708 50.1332 -103.657 -53.4822 132.938 117.679 6.74108 -78.1521 PRESSAVG: 3907400 8.65449 -0.437827 69.1821 -0.437857 14.1091 57.1264 69.1821 57.1263 -30.6078 GPRESSAVG: 3907400 8.36964 1.31055 69.5457 -2.6374 13.9121 58.6222 70.5822 55.0587 -30.2992 TIMING: 3907400 CPU: 12355, 0.00316653/step Wall: 12355, 0.00316653/step, 0.96104 hours remaining, 238.933594 MB of memory in use. ENERGY: 3907400 4015.5002 20633.8351 14394.0442 242.0026 -203152.6277 2540.0894 0.0000 0.0000 51897.6291 -109429.5271 298.2564 -161327.1562 -109078.2226 299.1473 -157.4503 -124.4171 760618.0192 -2.6148 -2.6725 PRESSURE: 3907600 -381.275 1.56693 -156.269 1.56714 -129.002 -79.4813 -156.27 -79.4817 291.898 GPRESSURE: 3907600 -285.738 26.9827 -163.181 31.6273 -99.8071 -106.948 -227.333 -0.162125 256.986 PRESSAVG: 3907600 0.952033 9.85951 9.36682 9.85952 -14.239 -45.8476 9.36692 -45.8477 32.4562 GPRESSAVG: 3907600 0.757773 7.95574 8.4265 10.8099 -14.1005 -46.9569 7.96849 -44.5163 31.8575 TIMING: 3907600 CPU: 12355.6, 0.00318248/step Wall: 12355.6, 0.00318248/step, 0.965706 hours remaining, 238.933594 MB of memory in use. ENERGY: 3907600 4014.3990 20506.0877 14433.1677 233.7275 -202910.3549 2284.6686 0.0000 0.0000 51984.6974 -109453.6070 298.7568 -161438.3044 -109090.8085 299.5344 -72.7931 -42.8532 761787.6598 6.3897 6.1716 PRESSURE: 3907800 161.838 63.3895 -91.5975 63.3887 -85.3191 -4.60946 -91.5976 -4.60916 -300.537 GPRESSURE: 3907800 162.337 58.2422 -136.497 20.2481 -83.983 55.9234 -50.9751 -73.2033 -247.865 PRESSAVG: 3907800 -15.4233 -2.70834 -13.6897 -2.70836 -4.40319 -29.0016 -13.6897 -29.0016 -7.82783 GPRESSAVG: 3907800 -14.6734 -0.737899 -13.3028 -3.72235 -5.28565 -29.8007 -12.7343 -28.5811 -7.33374 TIMING: 3907800 CPU: 12356.2, 0.00320712/step Wall: 12356.2, 0.00320712/step, 0.973006 hours remaining, 238.933594 MB of memory in use. ENERGY: 3907800 4063.8709 20521.6562 14395.8344 238.6790 -203704.4548 2777.5022 0.0000 0.0000 52195.1915 -109511.7206 299.9665 -161706.9121 -109147.2929 299.2173 -74.6726 -56.5038 761088.0095 -9.2181 -9.0976 PRESSURE: 3908000 -96.9412 243.823 208.875 243.822 -308.435 88.327 208.875 88.3264 -192.84 GPRESSURE: 3908000 -145.662 230.01 197.504 162.553 -140.53 121.517 159.968 82.4004 -207.293 PRESSAVG: 3908000 -19.3334 59.52 20.5392 59.52 0.863008 -0.32291 20.5392 -0.323012 31.6542 GPRESSAVG: 3908000 -18.8473 58.3061 20.8353 59.7636 0.0232628 1.27134 19.5965 -0.721827 31.6438 TIMING: 3908000 CPU: 12356.9, 0.00319904/step Wall: 12356.9, 0.00319904/step, 0.970376 hours remaining, 238.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3908000 3956.0772 20578.2380 14421.1766 224.7743 -202734.8090 2066.9036 0.0000 0.0000 51864.2919 -109623.3474 298.0648 -161487.6393 -109267.6480 298.6885 -199.4052 -164.4950 763295.7581 4.3946 4.2732 PRESSURE: 3908200 332.612 -99.2582 50.0593 -99.2584 180.319 -159.848 50.0599 -159.848 103.42 GPRESSURE: 3908200 483.07 -152.975 76.8241 69.8612 161.467 -194.612 36.8401 -54.68 69.2459 PRESSAVG: 3908200 -24.6129 22.3038 70.1692 22.3038 -17.5768 -5.55776 70.1693 -5.55778 12.9438 GPRESSAVG: 3908200 -23.7307 22.608 69.9355 23.2271 -17.5313 -6.30422 73.0385 -5.12405 12.3636 TIMING: 3908200 CPU: 12357.5, 0.00318033/step Wall: 12357.5, 0.00318034/step, 0.964525 hours remaining, 238.933594 MB of memory in use. ENERGY: 3908200 4010.2396 20535.4857 14389.1499 236.7262 -203758.2695 2972.0741 0.0000 0.0000 52152.0188 -109462.5752 299.7184 -161614.5939 -109097.1795 298.7530 205.4505 237.9277 761226.9410 -9.7486 -9.6328 LDB: ============= START OF LOAD BALANCING ============== 12369.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12369.9 LDB: =============== DONE WITH MIGRATION ================ 12369.9 LDB: ============= START OF LOAD BALANCING ============== 12370.2 LDB: Largest compute 7068 load 0.034638 is 17.7% of average load 0.196158 LDB: Average compute 0.004389 is 2.2% of average load 0.196158 LDB: TIME 12370.2 LOAD: AVG 0.196158 MAX 0.217504 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.523 MB LDB: TIME 12370.2 LOAD: AVG 0.196158 MAX 0.217504 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.562 MB LDB: TIME 12370.2 LOAD: AVG 0.196158 MAX 0.217504 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.562 MB LDB: ============== END OF LOAD BALANCING =============== 12370.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12370.2 PRESSURE: 3908400 -254.211 -64.0821 67.3893 -64.0815 176.591 58.9638 67.3901 58.9637 -210.643 GPRESSURE: 3908400 -163.848 -178.383 49.4396 -43.4059 153.21 -35.2085 102.46 182.565 -193.529 PRESSAVG: 3908400 10.25 -52.9066 11.714 -52.9066 -17.8219 9.63739 11.7141 9.63743 -15.3656 GPRESSAVG: 3908400 9.62671 -52.7734 11.3522 -52.3625 -17.8096 10.5729 9.8697 10.3147 -14.7028 TIMING: 3908400 CPU: 12358.2, 0.00323176/step Wall: 12358.2, 0.00323176/step, 0.979941 hours remaining, 237.816406 MB of memory in use. ENERGY: 3908400 3994.3947 20472.3754 14425.4019 241.0669 -203162.0867 2489.9044 0.0000 0.0000 52035.7284 -109503.2150 299.0500 -161538.9435 -109128.2321 299.0063 -96.0875 -68.0559 762090.2781 -7.6458 -7.6286 PRESSURE: 3908600 -119.589 9.09291 -202.57 9.09198 -395.274 -50.0342 -202.57 -50.0342 73.9912 GPRESSURE: 3908600 -219.437 18.1227 -147.117 -131.391 -270.936 -10.0246 -190.369 -155.585 115.236 PRESSAVG: 3908600 -42.155 -33.8152 -30.2447 -33.8152 50.4254 -12.2242 -30.2447 -12.2242 15.1576 GPRESSAVG: 3908600 -40.8169 -35.9009 -30.2549 -35.8169 49.7403 -11.9073 -29.2406 -12.3893 14.6917 TIMING: 3908600 CPU: 12358.8, 0.00315914/step Wall: 12358.8, 0.00315914/step, 0.957747 hours remaining, 238.019531 MB of memory in use. ENERGY: 3908600 4003.3329 20583.4688 14430.9721 242.9078 -203013.5541 2270.4089 0.0000 0.0000 51949.3809 -109533.0827 298.5538 -161482.4636 -109169.9263 298.7227 -146.9574 -125.0456 762585.7683 7.8093 7.8717 PRESSURE: 3908800 237.631 -152.839 -284.677 -152.838 104.783 203.544 -284.677 203.544 294.35 GPRESSURE: 3908800 333.469 -128.252 -380.079 -125.608 74.8267 231.231 -118.021 158.488 327.566 PRESSAVG: 3908800 -6.77107 -61.0605 16.59 -61.0606 9.40291 -7.63008 16.59 -7.63009 1.6023 GPRESSAVG: 3908800 -7.1221 -59.3943 16.1113 -58.6307 8.73306 -7.59286 15.7742 -7.88271 2.03169 TIMING: 3908800 CPU: 12359.4, 0.00316523/step Wall: 12359.4, 0.00316523/step, 0.959415 hours remaining, 238.019531 MB of memory in use. ENERGY: 3908800 3926.9755 20500.2762 14498.4052 248.6249 -203171.6046 2413.5028 0.0000 0.0000 52198.8078 -109385.0122 299.9873 -161583.8200 -109017.7935 299.1141 212.2547 245.2871 761849.6655 1.4114 1.2142 PRESSURE: 3909000 -243.307 -6.28892 82.1128 -6.28915 -299.918 40.3254 82.1132 40.3257 -86.3598 GPRESSURE: 3909000 -191.698 -60.0555 163.776 -24.0494 -348.534 205.452 -118.46 -23.9979 7.67335 PRESSAVG: 3909000 19.8593 -8.4006 31.6155 -8.40064 -2.90324 -34.3278 31.6155 -34.3279 -0.660364 GPRESSAVG: 3909000 18.9001 -7.45512 32.3255 -8.37671 -2.47102 -33.1754 31.5921 -33.711 -0.180919 TIMING: 3909000 CPU: 12360.1, 0.00318314/step Wall: 12360.1, 0.00318314/step, 0.964669 hours remaining, 238.019531 MB of memory in use. ENERGY: 3909000 4037.0598 20675.7104 14452.4729 248.0520 -202766.6498 2242.9001 0.0000 0.0000 52008.2561 -109102.1985 298.8922 -161110.4546 -108750.8260 299.7723 -209.8615 -177.5196 763327.8360 5.4319 5.4161 PRESSURE: 3909200 -38.0603 -75.1504 -38.908 -75.1512 23.086 -188.41 -38.9082 -188.41 -155.449 GPRESSURE: 3909200 -81.1669 -183.65 -1.6033 -110.885 127.431 -190.759 -50.0341 -199.723 -130.534 PRESSAVG: 3909200 -6.83258 -34.73 15.3163 -34.7301 1.01658 -6.702 15.3163 -6.70201 -12.6244 GPRESSAVG: 3909200 -6.77826 -36.3587 14.0307 -34.3632 2.01115 -6.71187 15.6531 -7.93315 -14.2454 TIMING: 3909200 CPU: 12360.7, 0.00318702/step Wall: 12360.7, 0.00318702/step, 0.965666 hours remaining, 238.019531 MB of memory in use. ENERGY: 3909200 4062.0575 20500.3968 14433.8468 247.8982 -203020.3052 2337.4174 0.0000 0.0000 52248.4844 -109190.2041 300.2728 -161438.6885 -108841.0277 299.9555 -56.8078 -28.0900 761407.9436 -6.1468 -6.3375 PRESSURE: 3909400 -31.3472 -101.266 110.381 -101.266 60.8987 44.9897 110.381 44.9895 170.852 GPRESSURE: 3909400 8.34098 -80.3205 53.5959 -170.541 51.6326 10.7982 131.679 54.4935 240.961 PRESSAVG: 3909400 -3.15616 -16.6052 1.93848 -16.6052 13.4536 -16.0868 1.93844 -16.0869 10.5795 GPRESSAVG: 3909400 -3.31815 -16.3927 2.35304 -17.4599 12.573 -16.9055 0.458563 -18.138 12.1346 TIMING: 3909400 CPU: 12361.3, 0.00321283/step Wall: 12361.3, 0.00321282/step, 0.973307 hours remaining, 238.019531 MB of memory in use. ENERGY: 3909400 3989.2168 20621.0448 14418.9191 262.2919 -203574.4327 3008.5951 0.0000 0.0000 51980.3442 -109294.0208 298.7318 -161274.3651 -108929.9748 299.5225 66.8011 100.3115 762799.3615 6.9590 7.1298 PRESSURE: 3909600 516.726 31.2832 -179.996 31.2835 260.742 27.4251 -179.996 27.4266 347.457 GPRESSURE: 3909600 482.234 -58.7655 -162.054 -35.9787 350.612 97.9234 -99.6208 68.0527 349.877 PRESSAVG: 3909600 -19.2488 -21.0408 5.956 -21.0407 40.2375 -9.86871 5.95602 -9.86864 10.5085 GPRESSAVG: 3909600 -19.5825 -21.011 6.64116 -22.9192 40.3674 -9.73883 7.07911 -7.72353 10.4378 TIMING: 3909600 CPU: 12362, 0.00319257/step Wall: 12362, 0.00319257/step, 0.966993 hours remaining, 238.019531 MB of memory in use. ENERGY: 3909600 3890.8748 20565.6469 14530.6360 239.8460 -203634.6414 2751.5655 0.0000 0.0000 52076.1562 -109579.9160 299.2824 -161656.0722 -109212.3103 299.0746 374.9749 394.2411 760797.0644 10.4990 10.4075 PRESSURE: 3909800 -49.6636 -17.5143 137.711 -17.5143 -36.9398 258.531 137.71 258.531 366.296 GPRESSURE: 3909800 -48.9503 -12.425 160.201 35.9175 36.369 220.077 218.045 196.632 370.973 PRESSAVG: 3909800 -4.79188 26.2522 31.3444 26.2522 18.7506 23.8688 31.3443 23.8687 14.5324 GPRESSAVG: 3909800 -4.60494 26.89 30.6663 27.4902 18.9186 22.8704 30.5204 23.4333 14.2975 TIMING: 3909800 CPU: 12362.6, 0.00317658/step Wall: 12362.6, 0.00317658/step, 0.961975 hours remaining, 238.019531 MB of memory in use. ENERGY: 3909800 3974.3102 20539.6184 14463.1935 240.5127 -203802.7198 2786.3778 0.0000 0.0000 52305.4590 -109493.2482 300.6002 -161798.7072 -109133.5996 299.1712 93.2308 119.4640 759637.3730 9.4971 9.5370 PRESSURE: 3910000 180.701 27.6365 -35.6419 27.6364 -9.47335 -72.3469 -35.6415 -72.3462 -376.317 GPRESSURE: 3910000 221.633 42.5487 -19.9269 41.3447 -39.1599 66.3232 101.516 -125.647 -306.09 PRESSAVG: 3910000 -23.4891 -10.4982 21.7361 -10.4982 -15.9952 30.7648 21.736 30.7648 -12.8937 GPRESSAVG: 3910000 -24.1077 -10.0088 22.3552 -10.0952 -15.0594 33.2731 22.801 28.8021 -12.8337 TIMING: 3910000 CPU: 12363.2, 0.00317065/step Wall: 12363.2, 0.00317065/step, 0.960002 hours remaining, 238.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3910000 3994.0145 20626.5079 14447.0055 251.5743 -203335.6528 2476.8603 0.0000 0.0000 52163.7128 -109375.9775 299.7856 -161539.6903 -109011.3700 299.5005 -68.3631 -41.2056 760760.2142 -17.4593 -17.3336 PRESSURE: 3910200 133.592 -233.642 68.6201 -233.642 141.005 178.618 68.6206 178.618 -249.929 GPRESSURE: 3910200 67.4937 -279.609 57.0756 -223.814 200.932 79.5669 113.143 224.952 -186.289 PRESSAVG: 3910200 34.6639 -34.0082 -17.9487 -34.0082 3.53462 -7.00226 -17.9488 -7.00221 -18.3952 GPRESSAVG: 3910200 35.0362 -34.1251 -17.9462 -34.6702 2.99553 -7.20427 -17.5933 -4.96094 -18.6724 TIMING: 3910200 CPU: 12363.9, 0.00319075/step Wall: 12363.9, 0.00319075/step, 0.965912 hours remaining, 238.019531 MB of memory in use. ENERGY: 3910200 3987.3708 20614.1196 14425.4954 237.7427 -202934.2016 2242.7908 0.0000 0.0000 52072.5624 -109354.1199 299.2617 -161426.6822 -108986.5458 299.6748 8.2224 27.3791 760333.9485 6.6011 6.4531 PRESSURE: 3910400 62.5725 -57.3705 -85.284 -57.3693 -18.6566 -95.9271 -85.2843 -95.9276 201.329 GPRESSURE: 3910400 100.931 -104.846 -14.1164 -11.4488 33.5456 -4.84829 -82.0804 -124.472 215.834 PRESSAVG: 3910400 -31.4826 -31.9694 -4.84929 -31.9693 29.5563 11.152 -4.84927 11.152 -0.0878805 GPRESSAVG: 3910400 -32.039 -31.5995 -3.75659 -31.0888 30.4166 9.93874 -6.65051 11.6716 -0.455829 TIMING: 3910400 CPU: 12364.5, 0.00319362/step Wall: 12364.5, 0.00319362/step, 0.966601 hours remaining, 238.019531 MB of memory in use. ENERGY: 3910400 3988.1763 20492.6964 14468.3693 233.7237 -203200.2666 2583.1321 0.0000 0.0000 51880.9934 -109553.1753 298.1608 -161434.1687 -109192.8376 299.0591 81.7484 116.7704 761341.8502 -0.6714 -0.6927 PRESSURE: 3910600 220.792 136.5 295.795 136.499 309.711 38.3538 295.795 38.3534 113.431 GPRESSURE: 3910600 271.77 267.091 338.648 136.707 277.572 1.16793 243.466 73.3418 177.903 PRESSAVG: 3910600 -7.04119 -27.3768 12.6965 -27.3768 5.42447 -17.9255 12.6966 -17.9255 -15.3951 GPRESSAVG: 3910600 -5.74726 -27.841 10.5445 -28.8164 4.1615 -18.41 12.9626 -17.7452 -15.7886 TIMING: 3910600 CPU: 12365.2, 0.00321854/step Wall: 12365.2, 0.00321854/step, 0.973967 hours remaining, 238.019531 MB of memory in use. ENERGY: 3910600 3967.7115 20595.3779 14378.8042 249.4156 -203369.0815 2471.7392 0.0000 0.0000 52102.8255 -109603.2077 299.4357 -161706.0331 -109243.9104 298.9466 214.6448 242.4147 760452.8525 -5.6706 -5.7915 PRESSURE: 3910800 -206.552 -146.829 166.956 -146.829 -418.128 -39.2396 166.956 -39.2398 -144.645 GPRESSURE: 3910800 -225.836 -210.754 136.649 -93.8127 -295.515 -77.2644 -4.6337 55.0709 -173.648 PRESSAVG: 3910800 35.7292 -58.3492 28.0847 -58.3492 -42.7851 -16.5599 28.0847 -16.5598 13.9335 GPRESSAVG: 3910800 35.1621 -58.2581 28.063 -56.8052 -42.3451 -17.6175 27.807 -17.9604 14.298 TIMING: 3910800 CPU: 12365.8, 0.00322137/step Wall: 12365.8, 0.00322137/step, 0.974642 hours remaining, 238.019531 MB of memory in use. ENERGY: 3910800 3977.2108 20609.0259 14405.1387 254.8829 -203349.0015 2455.0729 0.0000 0.0000 52075.6965 -109571.9738 299.2797 -161647.6703 -109199.3383 298.8157 -256.4417 -231.6664 762589.5137 2.2925 2.3717 PRESSURE: 3911000 -203.876 23.8963 -96.5526 23.8963 -10.8741 167.292 -96.5534 167.293 -43.8395 GPRESSURE: 3911000 -162.168 -9.9749 -45.0902 -75.4468 43.8849 184.353 -240.728 165.106 -50.6751 PRESSAVG: 3911000 40.0634 31.6611 3.58708 31.6611 -15.5209 -6.63141 3.5871 -6.63143 11.2642 GPRESSAVG: 3911000 39.9139 30.3829 4.85873 29.7497 -15.5869 -5.58368 5.61981 -6.66376 11.9574 TIMING: 3911000 CPU: 12366.4, 0.00319807/step Wall: 12366.4, 0.00319807/step, 0.967417 hours remaining, 238.019531 MB of memory in use. ENERGY: 3911000 4013.0296 20588.6982 14401.8751 228.7627 -203486.1961 2630.9311 0.0000 0.0000 52028.7865 -109594.1128 299.0102 -161622.8993 -109226.4990 298.9583 -86.1964 -56.3193 763144.2828 11.9356 12.0948 PRESSURE: 3911200 83.958 -4.77958 63.9749 -4.77924 -13.0996 -154.246 63.9756 -154.247 195.086 GPRESSURE: 3911200 136.22 9.96549 102.715 71.7056 24.4984 -104.493 -36.2734 -148.764 199.352 PRESSAVG: 3911200 -35.9167 -25.5682 -4.81414 -25.5682 -13.0517 -5.98868 -4.81422 -5.9887 -16.7702 GPRESSAVG: 3911200 -35.6824 -24.7316 -5.91786 -25.202 -13.1832 -5.67062 -4.70246 -4.64602 -16.7135 TIMING: 3911200 CPU: 12367.1, 0.00322196/step Wall: 12367.1, 0.00322196/step, 0.974463 hours remaining, 238.019531 MB of memory in use. ENERGY: 3911200 4003.8379 20600.5865 14436.9784 264.0487 -203567.4974 2700.0792 0.0000 0.0000 51964.5986 -109597.3682 298.6413 -161561.9668 -109232.5422 298.7031 88.6482 120.0234 761792.2604 -21.9129 -21.8597 PRESSURE: 3911400 87.9024 263.136 167.966 263.136 45.1857 -54.0861 167.965 -54.0858 143.562 GPRESSURE: 3911400 5.43275 230.159 115.452 120.748 163.171 -119.466 206.291 50.2846 192.26 PRESSAVG: 3911400 -6.37231 -3.23402 33.2998 -3.23403 -16.031 19.3328 33.2998 19.3328 28.1034 GPRESSAVG: 3911400 -7.78413 -3.29158 34.0809 -3.30702 -15.8436 20.863 32.8667 17.9582 29.3899 TIMING: 3911400 CPU: 12367.7, 0.00318771/step Wall: 12367.7, 0.00318771/step, 0.963928 hours remaining, 238.019531 MB of memory in use. ENERGY: 3911400 3859.5407 20514.4560 14475.7110 253.3218 -203475.5630 2670.4479 0.0000 0.0000 52076.2873 -109625.7983 299.2831 -161702.0856 -109272.1366 298.7375 92.2168 120.2879 761209.6995 1.9001 1.9207 PRESSURE: 3911600 -3.24053 123.461 162.715 123.461 13.423 -156.597 162.715 -156.597 -113.563 GPRESSURE: 3911600 98.0462 115.261 157.882 99.8983 62.463 -205.129 139.399 40.0764 -158.818 PRESSAVG: 3911600 -52.4972 7.82383 19.9269 7.82377 44.1641 -18.1707 19.9269 -18.1707 2.18868 GPRESSAVG: 3911600 -51.5792 7.7238 20.7903 8.53771 45.6466 -19.6941 20.6381 -17.6958 0.13096 TIMING: 3911600 CPU: 12368.4, 0.00317199/step Wall: 12368.4, 0.00317199/step, 0.958998 hours remaining, 238.019531 MB of memory in use. ENERGY: 3911600 3941.5961 20624.2007 14489.8595 246.3715 -203553.9179 2726.3638 0.0000 0.0000 52238.6088 -109286.9174 300.2160 -161525.5263 -108930.2303 299.4001 -34.4602 0.5636 762736.1640 -2.0481 -1.9339 PRESSURE: 3911800 103.864 -38.4621 -22.0552 -38.4613 510.534 86.5735 -22.0556 86.574 20.9559 GPRESSURE: 3911800 214.871 -39.3953 -51.2895 -7.11615 464.874 135.296 48.6871 103.555 29.9676 PRESSAVG: 3911800 12.7113 32.2336 46.192 32.2336 0.793199 -3.44186 46.192 -3.44191 12.7311 GPRESSAVG: 3911800 13.3448 34.014 45.2001 31.1997 0.143094 -2.14796 43.6528 -4.76521 13.3682 TIMING: 3911800 CPU: 12369, 0.00317149/step Wall: 12369, 0.00317149/step, 0.95867 hours remaining, 238.019531 MB of memory in use. ENERGY: 3911800 3983.0467 20464.4518 14451.0107 259.5184 -203695.4519 3114.0024 0.0000 0.0000 52287.4363 -109135.9856 300.4966 -161423.4219 -108768.7888 300.2844 211.7846 236.5710 762669.8498 8.7452 8.9520 PRESSURE: 3912000 -83.0466 -59.8102 184.282 -59.8098 -76.6785 -70.3089 184.281 -70.3086 -100.551 GPRESSURE: 3912000 -126.737 -88.002 214.576 -16.1903 -21.9151 -84.5674 121.639 14.8154 -53.5212 PRESSAVG: 3912000 -21.3418 -20.9514 -12.6449 -20.9514 19.4908 4.13488 -12.6449 4.13487 -11.4978 GPRESSAVG: 3912000 -21.2071 -20.6081 -11.3029 -22.5622 19.2896 1.8361 -13.6186 5.9607 -11.7803 TIMING: 3912000 CPU: 12369.6, 0.00316467/step Wall: 12369.6, 0.00316467/step, 0.956433 hours remaining, 238.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3912000 4000.8106 20585.8836 14477.9216 229.2362 -203789.1901 2953.1444 0.0000 0.0000 52243.3123 -109298.8814 300.2430 -161542.1936 -108933.2126 299.6896 -86.7588 -67.3911 762927.3059 -4.4496 -4.5659 PRESSURE: 3912200 -143.803 221.606 -42.144 221.606 -7.45459 -210.556 -42.1444 -210.555 -159.699 GPRESSURE: 3912200 -156.918 183.709 1.21921 206.497 62.828 -246.703 -37.1187 -46.0972 -123.846 PRESSAVG: 3912200 -14.4413 9.15152 30.6836 9.1515 20.0005 21.6585 30.6837 21.6585 -13.3237 GPRESSAVG: 3912200 -15.5096 7.38458 30.2123 12.8398 20.7776 23.5506 31.9157 20.2916 -13.0626 TIMING: 3912200 CPU: 12370.3, 0.00314758/step Wall: 12370.3, 0.00314758/step, 0.951093 hours remaining, 238.019531 MB of memory in use. ENERGY: 3912200 4082.3477 20382.4638 14488.5454 245.6956 -203296.9731 2549.8950 0.0000 0.0000 52160.3377 -109387.6880 299.7662 -161548.0257 -109012.5530 299.8465 -103.6524 -72.6453 762886.7532 -2.5882 -2.5982 LDB: ============= START OF LOAD BALANCING ============== 12382.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12382.7 LDB: =============== DONE WITH MIGRATION ================ 12382.7 LDB: ============= START OF LOAD BALANCING ============== 12383 LDB: Largest compute 7034 load 0.033182 is 16.9% of average load 0.196065 LDB: Average compute 0.004394 is 2.2% of average load 0.196065 LDB: TIME 12383 LOAD: AVG 0.196065 MAX 0.22029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.812 MB LDB: TIME 12383 LOAD: AVG 0.196065 MAX 0.22029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.883 MB LDB: TIME 12383 LOAD: AVG 0.196065 MAX 0.216336 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.883 MB LDB: ============== END OF LOAD BALANCING =============== 12383 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12383 PRESSURE: 3912400 -144.817 92.6514 130.199 92.6505 125.929 -134.184 130.198 -134.185 -377.202 GPRESSURE: 3912400 -72.4101 -8.59844 148.51 92.5528 100.315 -111.265 75.0423 -61.1393 -344.937 PRESSAVG: 3912400 18.5598 17.256 15.6795 17.256 -27.6682 -22.9373 15.6795 -22.9373 17.2932 GPRESSAVG: 3912400 19.1258 17.6025 15.2827 16.8176 -28.2998 -23.5699 15.9766 -22.7038 17.0583 TIMING: 3912400 CPU: 12370.9, 0.00322037/step Wall: 12370.9, 0.00322037/step, 0.972909 hours remaining, 239.101562 MB of memory in use. ENERGY: 3912400 3992.4561 20506.8645 14379.4449 260.6755 -203320.9266 2615.6618 0.0000 0.0000 52160.1791 -109405.6447 299.7653 -161565.8237 -109044.5549 299.2718 -132.0299 -105.6773 761981.6557 2.7283 2.6281 PRESSURE: 3912600 -53.3645 27.6357 25.9789 27.6369 -301.734 36.4266 25.9779 36.4252 -202.316 GPRESSURE: 3912600 -53.4658 51.0009 5.2745 29.7562 -327.523 -10.1995 9.00346 78.3967 -90.1471 PRESSAVG: 3912600 18.2981 -60.573 -3.17316 -60.573 -17.1293 -28.6184 -3.17313 -28.6184 -5.09878 GPRESSAVG: 3912600 18.51 -58.7913 -4.28399 -63.697 -18.4376 -26.968 -2.70908 -28.3776 -4.03651 TIMING: 3912600 CPU: 12371.5, 0.00315312/step Wall: 12371.5, 0.00315312/step, 0.952418 hours remaining, 239.304688 MB of memory in use. ENERGY: 3912600 3994.9926 20440.8031 14408.1481 236.7020 -203293.0337 2483.9466 0.0000 0.0000 51950.7145 -109777.7268 298.5615 -161728.4413 -109420.3446 298.7978 -185.8052 -157.0452 763017.1151 -1.3100 -1.3214 PRESSURE: 3912800 71.1561 16.3119 132.819 16.3116 353.518 -163.913 132.819 -163.914 257.059 GPRESSURE: 3912800 160.703 -40.7335 107.199 -120.756 338.18 -141.969 2.53713 -158.129 263.862 PRESSAVG: 3912800 43.3864 -28.9014 -29.1967 -28.9014 -41.5251 -31.9901 -29.1967 -31.9901 11.7183 GPRESSAVG: 3912800 42.2225 -30.6698 -26.879 -25.6017 -39.6384 -33.4163 -32.7033 -32.9214 11.4125 TIMING: 3912800 CPU: 12372.2, 0.00315781/step Wall: 12372.2, 0.00315781/step, 0.953658 hours remaining, 239.304688 MB of memory in use. ENERGY: 3912800 3923.9311 20436.2748 14434.1804 252.7099 -203437.1003 2654.8697 0.0000 0.0000 51981.3362 -109753.7981 298.7375 -161735.1343 -109394.8256 298.5262 227.2444 254.2487 761016.7021 4.5265 4.6655 PRESSURE: 3913000 133.804 -70.3832 -101.361 -70.3823 -408.804 -86.3978 -101.362 -86.3979 -127.304 GPRESSURE: 3913000 103.45 -117.207 -137.739 22.5365 -312.527 -106.185 -6.9941 -161.068 -102.209 PRESSAVG: 3913000 33.6113 -68.424 -14.2339 -68.424 -14.9522 -51.1677 -14.234 -51.1677 -10.0747 GPRESSAVG: 3913000 33.7849 -68.1699 -15.6852 -68.7491 -15.767 -52.1045 -10.4337 -50.8152 -9.14737 TIMING: 3913000 CPU: 12372.8, 0.00318249/step Wall: 12372.8, 0.00318249/step, 0.960934 hours remaining, 239.304688 MB of memory in use. ENERGY: 3913000 4078.9103 20376.0144 14511.6237 246.3615 -203840.3357 2961.8681 0.0000 0.0000 51747.7788 -109917.7789 297.3952 -161665.5577 -109555.4719 298.5888 -134.1013 -103.7622 760821.5271 2.8615 2.9568 PRESSURE: 3913200 -279.261 -129.358 -93.7538 -129.358 118.375 27.9838 -93.7544 27.9834 -162.772 GPRESSURE: 3913200 -102.337 -162.781 -63.8626 -138.783 68.0797 90.8304 -11.5623 -1.59911 -207.391 PRESSAVG: 3913200 15.0098 3.60735 5.88156 3.60738 -29.7705 3.8732 5.88155 3.8732 -0.853641 GPRESSAVG: 3913200 16.4704 4.66638 4.84821 4.71313 -29.8481 4.79428 6.70474 3.80093 -1.93931 TIMING: 3913200 CPU: 12373.4, 0.00319632/step Wall: 12373.4, 0.00319632/step, 0.964935 hours remaining, 239.304688 MB of memory in use. ENERGY: 3913200 3946.9908 20273.3149 14455.1343 227.8382 -203279.7971 2463.5138 0.0000 0.0000 51988.2208 -109924.7843 298.7770 -161913.0052 -109566.1140 298.0060 -107.8863 -80.5495 762200.1910 -5.2048 -5.1056 PRESSURE: 3913400 50.2325 -26.4784 -217.211 -26.4791 341.843 -116.837 -217.21 -116.837 492.198 GPRESSURE: 3913400 114.129 -101.383 -261.984 -68.8479 367.902 -90.5993 -282.036 -48.1593 480.991 PRESSAVG: 3913400 17.9264 -13.6689 -22.7433 -13.669 13.644 -9.74207 -22.7433 -9.74202 -27.6188 GPRESSAVG: 3913400 15.7773 -14.2171 -21.3027 -16.1464 14.6151 -8.6895 -26.9359 -9.31481 -26.6997 TIMING: 3913400 CPU: 12374.1, 0.00317701/step Wall: 12374.1, 0.003177/step, 0.958926 hours remaining, 239.304688 MB of memory in use. ENERGY: 3913400 3896.8219 20420.1013 14499.8852 239.4805 -203837.9976 2904.0230 0.0000 0.0000 52029.5329 -109848.1528 299.0144 -161877.6857 -109486.9618 298.4129 294.7579 321.0075 760695.0491 1.3172 1.2309 PRESSURE: 3913600 352.889 251.783 362.881 251.784 10.7305 -20.8278 362.881 -20.8265 -185.145 GPRESSURE: 3913600 469.758 247.194 397.082 262.608 -18.5858 -62.5357 359.294 4.82329 -158.489 PRESSAVG: 3913600 -30.7473 6.4206 20.0392 6.42051 24.4202 0.520341 20.0392 0.520354 18.6372 GPRESSAVG: 3913600 -28.0776 6.08427 19.0847 7.77266 23.5488 -0.128432 20.6266 0.877691 17.1603 TIMING: 3913600 CPU: 12374.7, 0.00315695/step Wall: 12374.7, 0.00315695/step, 0.952698 hours remaining, 239.304688 MB of memory in use. ENERGY: 3913600 3950.5744 20544.7147 14517.3557 243.0753 -203471.9382 2695.3365 0.0000 0.0000 51928.0823 -109592.7992 298.4314 -161520.8815 -109235.5141 298.4838 59.4915 97.5610 761698.9463 4.1034 4.2105 PRESSURE: 3913800 -105.058 -122.377 -130.436 -122.377 -205.169 68.304 -130.436 68.3039 -34.6459 GPRESSURE: 3913800 -15.7715 -70.5899 -170.563 7.57454 -224.758 41.7663 -64.2805 66.4973 -5.32184 PRESSAVG: 3913800 9.69718 -29.8548 16.113 -29.8548 -16.0144 -17.7127 16.113 -17.7126 9.01678 GPRESSAVG: 3913800 9.68827 -30.2338 15.7301 -29.8863 -17.1915 -18.1537 18.3926 -19.7231 9.78637 TIMING: 3913800 CPU: 12375.3, 0.00317501/step Wall: 12375.3, 0.00317501/step, 0.957972 hours remaining, 239.304688 MB of memory in use. ENERGY: 3913800 3971.5479 20451.0502 14438.8969 244.3049 -203438.1699 2676.1571 0.0000 0.0000 52139.2788 -109516.9342 299.6452 -161656.2130 -109148.3862 299.2805 -114.9577 -81.9503 762569.2157 0.8999 0.7610 PRESSURE: 3914000 110.449 -136.266 -76.3315 -136.265 -62.6741 193.546 -76.332 193.547 -121.736 GPRESSURE: 3914000 125.462 -93.4115 -199.241 -118.28 -23.4044 100.237 87.8818 165.698 -69.607 PRESSAVG: 3914000 50.0008 -40.3913 20.0652 -40.3913 -47.5492 -8.25615 20.0651 -8.25612 3.56303 GPRESSAVG: 3914000 48.8852 -39.1917 19.5197 -40.1703 -45.2178 -7.74925 20.9135 -7.73008 2.65386 TIMING: 3914000 CPU: 12376, 0.00315786/step Wall: 12376, 0.00315787/step, 0.952623 hours remaining, 239.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3914000 4016.2249 20449.8437 14527.9704 242.1466 -203611.3593 2562.2682 0.0000 0.0000 52101.1003 -109711.8053 299.4257 -161812.9055 -109344.1899 299.2010 -24.6539 10.8170 759852.4653 2.0049 2.1071 PRESSURE: 3914200 -291.911 -215.851 -34.1573 -215.851 -404.858 -65.5144 -34.1576 -65.5136 -20.4382 GPRESSURE: 3914200 -251.287 -201.374 -123.465 -227.786 -327.851 -71.4632 -33.259 110.781 -72.6904 PRESSAVG: 3914200 51.05 -41.6486 12.8415 -41.6486 -12.0135 2.05835 12.8415 2.05837 3.67156 GPRESSAVG: 3914200 51.1755 -40.3684 13.7525 -42.7352 -13.3666 0.749563 11.2207 2.70223 4.5615 TIMING: 3914200 CPU: 12376.6, 0.00317953/step Wall: 12376.6, 0.00317953/step, 0.958982 hours remaining, 239.304688 MB of memory in use. ENERGY: 3914200 3936.6074 20476.4463 14475.1883 245.6362 -202966.6539 2300.0834 0.0000 0.0000 51969.9477 -109562.7447 298.6720 -161532.6924 -109198.1781 299.1503 -239.0690 -217.2760 761438.5312 14.2360 14.1235 PRESSURE: 3914400 295.309 118.864 168.308 118.864 162.82 113 168.308 113 66.0236 GPRESSURE: 3914400 296.432 7.45083 109.068 102.957 236.203 83.465 82.8037 185.65 61.7992 PRESSAVG: 3914400 39.6164 -38.843 39.8133 -38.843 -24.1615 2.71853 39.8132 2.71855 23.5826 GPRESSAVG: 3914400 38.4294 -38.6453 39.9089 -38.264 -22.7666 2.60828 36.5394 2.38984 23.4949 TIMING: 3914400 CPU: 12377.2, 0.00314626/step Wall: 12377.2, 0.00314626/step, 0.948773 hours remaining, 239.304688 MB of memory in use. ENERGY: 3914400 4029.1318 20496.4204 14435.0364 228.1303 -203636.3705 2976.7349 0.0000 0.0000 52048.7093 -109422.2075 299.1246 -161470.9168 -109057.6828 299.5640 174.7176 198.1445 760969.5767 13.0125 13.0526 PRESSURE: 3914600 127.721 162.701 54.8242 162.702 -116.912 -31.6913 54.8242 -31.6906 345.022 GPRESSURE: 3914600 138.342 94.5705 105.404 123.443 -27.6592 -46.5603 -1.46657 -23.7106 354.252 PRESSAVG: 3914600 59.7811 -70.7307 26.3691 -70.7307 -73.333 -9.53707 26.3691 -9.53708 0.809831 GPRESSAVG: 3914600 61.0309 -73.0358 25.0988 -68.9522 -74.3574 -8.41802 27.9747 -9.44085 0.464882 TIMING: 3914600 CPU: 12377.9, 0.00317652/step Wall: 12377.9, 0.00317652/step, 0.95772 hours remaining, 239.304688 MB of memory in use. ENERGY: 3914600 3952.0800 20537.3595 14405.8713 252.5081 -203105.4196 2522.2524 0.0000 0.0000 52015.2531 -109420.0953 298.9324 -161435.3484 -109059.2679 299.4576 118.6103 154.9781 760104.8371 -4.2474 -4.2872 PRESSURE: 3914800 -261.921 134.346 -54.9058 134.347 28.2884 -126.814 -54.9056 -126.815 6.45199 GPRESSURE: 3914800 -267.297 199.614 13.2461 15.9176 53.8425 -69.1303 -37.8186 -175.474 69.4829 PRESSAVG: 3914800 10.1519 2.05936 3.32691 2.05942 -15.997 -6.85839 3.32691 -6.85837 -7.57078 GPRESSAVG: 3914800 9.59333 4.87664 3.27866 -0.153641 -15.9365 -8.29162 5.45733 -5.06588 -6.42721 TIMING: 3914800 CPU: 12378.5, 0.00314706/step Wall: 12378.5, 0.00314706/step, 0.948665 hours remaining, 239.304688 MB of memory in use. ENERGY: 3914800 3897.3081 20585.7129 14423.1206 261.2119 -203186.0580 2485.6054 0.0000 0.0000 52176.9620 -109356.1371 299.8617 -161533.0991 -108994.6701 299.6775 -75.7267 -47.9905 760930.2241 -4.4719 -4.2568 PRESSURE: 3915000 77.4811 46.8107 94.6519 46.811 -141.987 117.402 94.6517 117.402 68.9354 GPRESSURE: 3915000 89.6595 53.2827 150.527 24.6407 -46.186 123.118 122.864 122.425 36.1785 PRESSAVG: 3915000 24.2656 -8.78862 12.5043 -8.78857 -69.6198 42.479 12.5043 42.479 -3.70644 GPRESSAVG: 3915000 23.0813 -9.1751 11.2634 -9.6629 -69.4453 43.3921 10.7763 40.4529 -3.38542 TIMING: 3915000 CPU: 12379.1, 0.00314563/step Wall: 12379.1, 0.00314563/step, 0.948058 hours remaining, 239.304688 MB of memory in use. ENERGY: 3915000 3965.0787 20486.5957 14399.0336 247.9714 -203283.6332 2613.5261 0.0000 0.0000 52089.5176 -109481.9102 299.3592 -161571.4278 -109116.7149 299.0152 1.4764 26.5507 758675.2042 -16.3536 -16.5832 PRESSURE: 3915200 -5.06966 49.1764 -8.60439 49.1761 78.403 -164.358 -8.60397 -164.359 165.414 GPRESSURE: 3915200 72.6561 141.504 38.7683 -35.1625 90.8716 -208.064 91.611 39.7368 151.673 PRESSAVG: 3915200 -5.04342 -34.4234 25.7409 -34.4234 -20.1982 9.98559 25.7409 9.98554 16.213 GPRESSAVG: 3915200 -4.82251 -35.6035 27.2003 -33.6898 -19.9599 10.8173 25.9772 10.5368 15.2964 TIMING: 3915200 CPU: 12379.8, 0.00316088/step Wall: 12379.8, 0.00316088/step, 0.95248 hours remaining, 239.304688 MB of memory in use. ENERGY: 3915200 3991.8155 20554.5359 14438.2583 229.3308 -203305.5442 2549.8038 0.0000 0.0000 52044.3635 -109497.4363 299.0997 -161541.7998 -109146.1588 299.4279 79.5825 105.0668 759768.2283 -3.0095 -3.1620 PRESSURE: 3915400 -140.643 -60.8394 -79.586 -60.84 98.9006 -43.0731 -79.5863 -43.0734 9.76176 GPRESSURE: 3915400 -164.834 -28.4261 -61.9505 -166.475 109.931 -94.501 -114.085 -256.144 101.244 PRESSAVG: 3915400 14.8108 -69.3082 1.49582 -69.3081 -17.0692 -1.09028 1.4958 -1.09029 -24.3047 GPRESSAVG: 3915400 15.9643 -68.7915 0.605984 -68.2854 -17.7672 -1.8534 2.5561 -1.48384 -25.0767 TIMING: 3915400 CPU: 12380.4, 0.00315888/step Wall: 12380.4, 0.00315888/step, 0.9517 hours remaining, 239.304688 MB of memory in use. ENERGY: 3915400 4002.2548 20444.5084 14408.8255 242.2038 -203371.7143 2623.9796 0.0000 0.0000 51968.3747 -109681.5675 298.6630 -161649.9422 -109316.3031 299.2954 -10.6602 15.4469 760412.4638 -8.8544 -8.9599 PRESSURE: 3915600 -237.882 -62.8725 83.555 -62.8739 62.5009 -56.1093 83.5553 -56.1091 -174.141 GPRESSURE: 3915600 -151.688 -124.873 55.1896 -113.962 71.0356 -127.275 263.376 150.647 -188.493 PRESSAVG: 3915600 11.9124 -72.8386 -6.5146 -72.8386 13.5297 -32.5246 -6.51451 -32.5247 6.83676 GPRESSAVG: 3915600 10.988 -73.4709 -5.46554 -73.5235 15.182 -33.5982 -6.96879 -31.846 6.93804 TIMING: 3915600 CPU: 12381, 0.00316456/step Wall: 12381, 0.00316456/step, 0.953236 hours remaining, 239.304688 MB of memory in use. ENERGY: 3915600 3986.1376 20640.8281 14450.9996 245.3379 -203613.0519 2778.9248 0.0000 0.0000 51896.4069 -109614.4169 298.2494 -161510.8238 -109255.3759 298.9455 -116.5076 -89.7152 761511.9508 10.7596 11.0360 PRESSURE: 3915800 -85.497 96.9662 -278.935 96.9661 -56.851 -236.748 -278.935 -236.748 507.308 GPRESSURE: 3915800 -97.2823 104.936 -283.832 128.098 85.9783 -149.715 -334.494 -53.0434 486.428 PRESSAVG: 3915800 41.1632 -62.2218 21.4019 -62.2218 -45.3701 -20.3355 21.4019 -20.3355 21.1539 GPRESSAVG: 3915800 41.3711 -61.3477 21.018 -59.8621 -46.5018 -19.9792 21.9314 -18.4687 22.2113 TIMING: 3915800 CPU: 12381.7, 0.00316774/step Wall: 12381.7, 0.00316774/step, 0.954016 hours remaining, 239.304688 MB of memory in use. ENERGY: 3915800 3881.1107 20491.1356 14479.4608 260.0949 -203712.6705 2897.4723 0.0000 0.0000 51846.2337 -109857.1626 297.9610 -161703.3963 -109500.3654 298.6955 121.6533 158.3746 761199.8752 5.6490 5.6935 PRESSURE: 3916000 -136.003 -29.2311 43.4799 -29.2318 -409.05 -237.607 43.4798 -237.607 -49.1893 GPRESSURE: 3916000 -84.5249 18.2767 -46.1846 125.434 -360.399 -194.654 205.969 -357.785 -54.385 PRESSAVG: 3916000 -45.1157 -18.4087 31.2648 -18.4086 12.8695 -45.134 31.2648 -45.134 5.42604 GPRESSAVG: 3916000 -43.9873 -17.7472 30.202 -20.6438 12.2446 -43.599 30.5358 -46.6761 4.52815 TIMING: 3916000 CPU: 12382.3, 0.00317718/step Wall: 12382.3, 0.00317718/step, 0.956683 hours remaining, 239.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3916000 4030.2714 20458.0573 14495.3468 259.8799 -203718.8985 2702.1703 0.0000 0.0000 52032.4706 -109740.7022 299.0313 -161773.1728 -109382.3043 298.2732 -198.0810 -166.4363 762177.2591 -8.9400 -9.0715 PRESSURE: 3916200 -82.2505 -309.373 116.297 -309.374 466.455 158.249 116.298 158.248 115.856 GPRESSURE: 3916200 -53.564 -183.44 83.1484 -277.78 480.62 162.942 110.122 133.559 135.72 PRESSAVG: 3916200 40.0745 -2.21669 4.73748 -2.21669 -22.7798 -5.97523 4.73751 -5.97531 -4.02395 GPRESSAVG: 3916200 39.5785 -2.39254 6.82687 -1.57531 -21.7686 -7.29595 3.30828 -5.43487 -4.55158 TIMING: 3916200 CPU: 12382.9, 0.00317049/step Wall: 12382.9, 0.00317049/step, 0.954494 hours remaining, 239.304688 MB of memory in use. ENERGY: 3916200 3882.3740 20463.8660 14474.4134 226.3024 -203371.6941 2591.3229 0.0000 0.0000 51830.1998 -109903.2156 297.8689 -161733.4154 -109544.9644 298.4934 166.6869 187.5918 761275.9993 4.4236 4.4194 LDB: ============= START OF LOAD BALANCING ============== 12395.3 LDB: ============== END OF LOAD BALANCING =============== 12395.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12395.3 LDB: ============= START OF LOAD BALANCING ============== 12395.7 LDB: Largest compute 7067 load 0.032077 is 16.4% of average load 0.196125 LDB: Average compute 0.004384 is 2.2% of average load 0.196125 LDB: TIME 12395.7 LOAD: AVG 0.196125 MAX 0.220486 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.172 MB LDB: TIME 12395.7 LOAD: AVG 0.196125 MAX 0.220486 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.375 MB LDB: TIME 12395.7 LOAD: AVG 0.196125 MAX 0.218635 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.375 MB LDB: ============== END OF LOAD BALANCING =============== 12395.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12395.7 PRESSURE: 3916400 -210.616 -24.2945 7.73648 -24.2946 303.141 20.8565 7.73762 20.8556 413.377 GPRESSURE: 3916400 -177.767 23.0864 -20.9836 -144.831 371.224 4.6626 34.7742 14.3422 393.027 PRESSAVG: 3916400 5.20279 -72.9844 25.1192 -72.9844 17.5786 -2.95678 25.1193 -2.9567 -6.74721 GPRESSAVG: 3916400 4.06525 -73.7815 23.313 -73.7542 16.5544 -2.90244 26.296 -3.12922 -4.74355 TIMING: 3916400 CPU: 12383.6, 0.00322144/step Wall: 12383.6, 0.00322144/step, 0.969653 hours remaining, 238.355469 MB of memory in use. ENERGY: 3916400 3921.9860 20399.9512 14542.8248 241.2397 -203878.6083 2847.5905 0.0000 0.0000 52088.5930 -109836.4232 299.3539 -161925.0161 -109473.3354 298.5632 168.6342 195.4946 760609.5903 5.3447 5.2920 PRESSURE: 3916600 -56.9628 -262.019 117.425 -262.018 -81.9137 177.31 117.425 177.311 -87.8063 GPRESSURE: 3916600 16.8841 -274.264 138.422 -242.154 -82.1679 81.7132 -150.258 186.49 -76.2924 PRESSAVG: 3916600 48.5602 -16.4877 -31.91 -16.4877 -5.69048 -78.722 -31.91 -78.7219 20.1437 GPRESSAVG: 3916600 48.4541 -16.3277 -31.523 -15.4106 -4.61886 -78.9259 -32.0954 -78.0849 18.8571 TIMING: 3916600 CPU: 12384.2, 0.00315241/step Wall: 12384.2, 0.00315241/step, 0.948702 hours remaining, 238.558594 MB of memory in use. ENERGY: 3916600 3924.7652 20473.6884 14523.2274 246.5604 -203368.7674 2593.0739 0.0000 0.0000 51686.8137 -109920.6385 297.0448 -161607.4522 -109567.9820 298.2886 -75.5609 -47.1921 761402.4334 21.0045 20.8975 PRESSURE: 3916800 28.6852 113.946 -196.895 113.946 74.9108 -107.283 -196.895 -107.282 -77.8017 GPRESSURE: 3916800 -61.8783 185.927 -148.175 160.955 179.248 -58.7399 -121.032 13.1681 -7.34302 PRESSAVG: 3916800 -0.928459 -52.0867 7.03976 -52.0867 -30.1845 37.9958 7.03976 37.9959 -4.06873 GPRESSAVG: 3916800 0.910721 -48.9203 8.63959 -53.4844 -30.9685 40.1312 7.63505 36.8106 -4.61459 TIMING: 3916800 CPU: 12384.8, 0.00317844/step Wall: 12384.8, 0.00317844/step, 0.956357 hours remaining, 238.558594 MB of memory in use. ENERGY: 3916800 3944.6682 20510.8733 14555.9059 269.8448 -203356.7057 2552.6660 0.0000 0.0000 51761.7696 -109760.9780 297.4756 -161522.7476 -109413.1671 298.4724 8.5981 36.6756 762363.4937 -11.7272 -11.5574 PRESSURE: 3917000 146.566 -241.715 -209.895 -241.716 176.158 1.78051 -209.895 1.78088 -71.4407 GPRESSURE: 3917000 217.568 -154.44 -246.775 -94.4713 141.808 -75.3366 -202.475 -18.3948 -23.9793 PRESSAVG: 3917000 58.7494 -16.5892 21.6401 -16.5891 2.40916 -50.7869 21.6401 -50.7869 0.0461474 GPRESSAVG: 3917000 56.6784 -19.3308 20.3262 -15.1523 3.79885 -53.2232 21.2261 -49.2498 0.789505 TIMING: 3917000 CPU: 12385.5, 0.00319897/step Wall: 12385.5, 0.00319897/step, 0.962355 hours remaining, 238.558594 MB of memory in use. ENERGY: 3917000 3964.1026 20375.3386 14498.8241 250.8067 -203154.7781 2532.6304 0.0000 0.0000 51861.3649 -109671.7107 298.0480 -161533.0756 -109318.1870 298.1054 83.7612 111.7988 762040.3460 20.4016 20.4223 PRESSURE: 3917200 34.1441 -91.9404 123.052 -91.9402 99.1121 -16.6394 123.051 -16.6386 121.067 GPRESSURE: 3917200 137.926 -115.973 86.4481 -122.77 56.4787 -21.0655 61.0267 70.2984 142.798 PRESSAVG: 3917200 -36.5333 -40.0333 -47.8709 -40.0332 8.97159 33.6215 -47.8709 33.6215 1.35611 GPRESSAVG: 3917200 -35.1336 -41.0105 -46.419 -38.848 8.35942 33.0963 -47.7815 33.8576 0.800596 TIMING: 3917200 CPU: 12386.1, 0.00318842/step Wall: 12386.1, 0.00318842/step, 0.959007 hours remaining, 238.558594 MB of memory in use. ENERGY: 3917200 3900.5849 20345.0312 14454.9869 250.0863 -203202.3823 2696.3842 0.0000 0.0000 52045.1601 -109510.1487 299.1043 -161555.3088 -109154.2842 298.6099 84.7744 112.4012 761910.4236 -8.7352 -8.6578 PRESSURE: 3917400 -208.673 3.518 256.307 3.51797 -123.012 -32.5249 256.307 -32.5248 341.502 GPRESSURE: 3917400 -157.997 70.022 224.328 19.9542 -143.586 -11.0347 325.564 29.1694 394.677 PRESSAVG: 3917400 10.5146 -60.0319 57.7861 -60.0319 -37.8649 51.7393 57.7861 51.7393 11.7004 GPRESSAVG: 3917400 9.92411 -57.5344 56.9136 -62.6791 -37.2502 51.9884 59.5329 50.0432 11.4619 TIMING: 3917400 CPU: 12386.8, 0.0031755/step Wall: 12386.8, 0.00317549/step, 0.954942 hours remaining, 238.558594 MB of memory in use. ENERGY: 3917400 3929.4819 20575.0207 14435.7377 251.0018 -203046.9480 2514.9643 0.0000 0.0000 51674.5254 -109666.2162 296.9742 -161340.7417 -109313.0344 298.1776 3.2723 31.0315 762245.2728 -5.2167 -5.2881 PRESSURE: 3917600 334.549 30.8675 -153.102 30.8677 -466.145 -270.982 -153.102 -270.982 -78.5086 GPRESSURE: 3917600 285.099 8.57608 -171.654 13.6024 -345.522 -289.241 -108.4 -190.446 -80.4606 PRESSAVG: 3917600 117.343 -65.8268 31.6672 -65.8268 -65.0102 -4.85888 31.6673 -4.85886 5.1172 GPRESSAVG: 3917600 116.078 -68.6056 30.8584 -64.4196 -65.4529 -4.44809 29.0864 -2.10672 6.67936 TIMING: 3917600 CPU: 12387.4, 0.00318635/step Wall: 12387.4, 0.00318635/step, 0.95803 hours remaining, 238.558594 MB of memory in use. ENERGY: 3917600 3981.2136 20307.4553 14472.7484 244.2289 -203200.0499 2576.6939 0.0000 0.0000 52024.9909 -109592.7190 298.9883 -161617.7099 -109225.6355 298.4027 -70.0350 -46.9614 760776.9216 19.1498 19.1016 PRESSURE: 3917800 197.264 141.757 -130.274 141.757 23.9386 -80.1783 -130.274 -80.178 59.9361 GPRESSURE: 3917800 279.666 222.822 -53.7921 -20.3459 3.13263 -190.048 -25.1261 -94.155 80.4885 PRESSAVG: 3917800 54.7164 -4.29738 -32.1095 -4.29742 -49.1367 -32.0621 -32.1095 -32.0622 0.168455 GPRESSAVG: 3917800 55.8455 -1.9475 -30.8139 -3.26261 -48.0497 -33.0098 -30.7003 -34.0658 -2.0572 TIMING: 3917800 CPU: 12388, 0.00317363/step Wall: 12388, 0.00317363/step, 0.954027 hours remaining, 238.558594 MB of memory in use. ENERGY: 3917800 3956.4097 20546.3733 14384.7642 254.5581 -203693.5531 2665.1733 0.0000 0.0000 52129.1088 -109757.1656 299.5867 -161886.2744 -109397.5252 298.8712 93.7129 121.0957 759164.7802 1.9160 1.9129 PRESSURE: 3918000 -3.4512 -24.1217 202.044 -24.1207 -28.4463 -97.2674 202.044 -97.2665 -69.8261 GPRESSURE: 3918000 40.7283 12.6722 105.923 -114.823 -0.0709585 6.6151 124.965 -75.0251 -60.8397 PRESSAVG: 3918000 42.1242 2.3002 -5.02273 2.30015 -4.86045 -14.3192 -5.02267 -14.3192 5.59271 GPRESSAVG: 3918000 41.9639 1.19786 -5.84376 2.81083 -6.90375 -12.238 -5.44333 -14.2631 7.56388 TIMING: 3918000 CPU: 12388.7, 0.00317692/step Wall: 12388.7, 0.00317692/step, 0.954841 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3918000 3951.4738 20420.1640 14474.7131 252.2194 -203888.0450 2762.8214 0.0000 0.0000 52233.7300 -109792.9234 300.1880 -162026.6534 -109425.6339 298.3793 -33.9079 -6.7275 759650.7857 14.2855 14.2080 PRESSURE: 3918200 126.035 -3.15868 96.1818 -3.1581 -306.584 -67.9078 96.1813 -67.9086 111.7 GPRESSURE: 3918200 91.3034 -68.8174 174.267 -30.3524 -177.486 -74.1348 154.38 -49.7046 113.52 PRESSAVG: 3918200 26.618 7.88347 -6.44896 7.88349 -21.8006 -24.3997 -6.44903 -24.3996 -21.0229 GPRESSAVG: 3918200 26.9377 8.53271 -7.17034 5.36931 -22.2153 -25.5157 -7.54966 -25.1165 -20.99 TIMING: 3918200 CPU: 12389.3, 0.00317318/step Wall: 12389.3, 0.00317318/step, 0.953542 hours remaining, 238.558594 MB of memory in use. ENERGY: 3918200 3961.5344 20452.1630 14440.9246 248.2918 -203597.7183 2706.3136 0.0000 0.0000 52124.6244 -109663.8665 299.5609 -161788.4909 -109295.1485 298.6586 -22.9494 9.1124 760932.4347 -5.4018 -5.4225 PRESSURE: 3918400 -67.4424 210.549 -135.866 210.549 65.6809 11.8007 -135.866 11.7991 92.4568 GPRESSURE: 3918400 -16.5543 118.198 -111.562 234.099 62.8181 7.38657 102.859 -13.72 125.863 PRESSAVG: 3918400 35.2671 -2.23376 31.6351 -2.2338 -0.71706 -6.63766 31.6351 -6.63766 -5.0093 GPRESSAVG: 3918400 34.988 -3.20157 30.828 -0.553297 -0.106469 -8.01168 32.998 -6.43226 -5.44175 TIMING: 3918400 CPU: 12389.9, 0.00320135/step Wall: 12389.9, 0.00320135/step, 0.961827 hours remaining, 238.558594 MB of memory in use. ENERGY: 3918400 3941.8974 20325.0532 14463.1323 241.3743 -203221.0355 2615.9116 0.0000 0.0000 52085.8229 -109547.8438 299.3379 -161633.6667 -109178.2205 298.5696 30.2318 57.3754 761463.3043 9.8469 9.8133 PRESSURE: 3918600 -28.2721 -16.3216 -185.867 -16.3214 -230.43 83.3003 -185.867 83.3011 9.86274 GPRESSURE: 3918600 -35.3305 53.8786 -90.8974 46.0462 -187.624 59.1834 -236.694 131.575 67.1275 PRESSAVG: 3918600 65.7763 -27.9082 50.4057 -27.9082 -70.6742 17.8109 50.4057 17.8108 -10.7416 GPRESSAVG: 3918600 64.6972 -28.0294 52.3717 -28.8129 -70.2711 18.8775 49.6179 18.9455 -9.51476 TIMING: 3918600 CPU: 12390.6, 0.00322918/step Wall: 12390.6, 0.00322918/step, 0.97001 hours remaining, 238.558594 MB of memory in use. ENERGY: 3918600 3944.5301 20549.6959 14494.9546 261.1579 -202726.3398 2269.2739 0.0000 0.0000 51899.4338 -109307.2935 298.2668 -161206.7274 -108941.6240 299.4283 -82.9463 -51.9422 762836.4909 -5.2132 -5.0296 PRESSURE: 3918800 -61.608 72.033 57.1315 72.0335 63.0378 43.5041 57.1311 43.5032 181.073 GPRESSURE: 3918800 14.2179 -23.793 92.1193 110.269 42.6039 144.823 6.46281 -18.8073 212.363 PRESSAVG: 3918800 50.2602 -10.0351 -4.26081 -10.0351 -66.6626 -37.8987 -4.26077 -37.8987 22.7776 GPRESSAVG: 3918800 51.0385 -9.72017 -3.98618 -9.77278 -66.3942 -36.6305 -5.32602 -39.3986 21.2936 TIMING: 3918800 CPU: 12391.2, 0.0032305/step Wall: 12391.2, 0.0032305/step, 0.970227 hours remaining, 238.558594 MB of memory in use. ENERGY: 3918800 3920.7058 20632.1718 14430.8435 252.8304 -202985.3473 2392.6665 0.0000 0.0000 52097.6416 -109258.4877 299.4059 -161356.1293 -108897.1193 299.8979 60.8343 89.7283 761691.3293 2.1251 1.9793 PRESSURE: 3919000 -401.147 -139.84 -23.5901 -139.84 -343.604 21.2568 -23.59 21.2566 -291.519 GPRESSURE: 3919000 -412.259 -74.6889 -28.8989 -92.3663 -294.802 38.5926 -7.5615 -39.9073 -248.425 PRESSAVG: 3919000 14.1989 33.5859 -29.7605 33.586 -42.3295 -7.97386 -29.7606 -7.97386 9.46024 GPRESSAVG: 3919000 13.9318 33.2958 -30.1914 35.7368 -41.2517 -8.77629 -29.3642 -7.93857 8.42368 TIMING: 3919000 CPU: 12391.9, 0.00317616/step Wall: 12391.9, 0.00317616/step, 0.95373 hours remaining, 238.558594 MB of memory in use. ENERGY: 3919000 3913.1935 20519.2639 14506.4279 238.1217 -202903.2553 2418.4031 0.0000 0.0000 52034.3000 -109273.5453 299.0418 -161307.8452 -108899.8695 299.7019 -345.4231 -318.4955 764118.0207 -6.2235 -6.2987 PRESSURE: 3919200 355.257 -161.186 -137.624 -161.187 218.919 71.6358 -137.624 71.6353 366.482 GPRESSURE: 3919200 303.909 -226.671 -109.447 -164.907 349.784 57.9326 -157.598 16.6182 384.256 PRESSAVG: 3919200 37.1046 14.2002 -11.5635 14.2001 -36.4213 2.40695 -11.5635 2.40699 5.9448 GPRESSAVG: 3919200 38.06 15.3642 -11.983 11.0333 -38.2578 0.834934 -11.5435 1.36414 6.58484 TIMING: 3919200 CPU: 12392.5, 0.00317352/step Wall: 12392.5, 0.00317352/step, 0.952761 hours remaining, 238.558594 MB of memory in use. ENERGY: 3919200 3971.1962 20417.1224 14497.6674 239.4127 -203587.5403 2781.0650 0.0000 0.0000 52167.0688 -109514.0077 299.8049 -161681.0765 -109141.5571 299.4435 313.5530 345.9831 760915.7702 2.2094 2.1290 PRESSURE: 3919400 -122 -57.2492 -83.3361 -57.249 282.778 -114.718 -83.3363 -114.717 144.243 GPRESSURE: 3919400 -29.748 52.5545 -59.4409 -67.512 273.985 -89.3901 -15.1403 -17.9089 146.435 PRESSAVG: 3919400 31.4442 -5.29945 -53.77 -5.29941 2.23871 27.7225 -53.77 27.7225 0.934086 GPRESSAVG: 3919400 31.4207 -5.36215 -52.5339 -3.51311 3.23217 29.7593 -52.9095 29.7748 0.014965 TIMING: 3919400 CPU: 12393.1, 0.00318863/step Wall: 12393.1, 0.00318863/step, 0.95712 hours remaining, 238.558594 MB of memory in use. ENERGY: 3919400 3945.5560 20591.8655 14487.2158 233.9701 -203465.5297 2599.7474 0.0000 0.0000 52175.2249 -109431.9500 299.8517 -161607.1750 -109063.3539 299.1532 101.6737 130.2240 760034.9814 11.5390 11.5560 PRESSURE: 3919600 -87.1844 -47.2892 110.503 -47.2891 -389.927 129.273 110.503 129.273 -300.767 GPRESSURE: 3919600 -87.3503 -104.207 40.1707 -181.563 -407.682 181.332 87.2776 24.0488 -175.625 PRESSAVG: 3919600 11.1593 14.6597 -43.7162 14.6597 -43.4233 22.0336 -43.7162 22.0336 -19.6035 GPRESSAVG: 3919600 10.1655 14.7613 -43.6054 13.3629 -44.155 21.6879 -46.005 20.1947 -18.1102 TIMING: 3919600 CPU: 12393.8, 0.0032082/step Wall: 12393.8, 0.0032082/step, 0.962816 hours remaining, 238.558594 MB of memory in use. ENERGY: 3919600 4075.2848 20583.9264 14473.8428 256.5672 -203832.8281 2746.4009 0.0000 0.0000 52035.1021 -109661.7039 299.0464 -161696.8061 -109303.8726 299.2738 -259.2927 -223.5524 759726.2531 -17.2891 -17.3666 PRESSURE: 3919800 -548.351 140.312 -146.303 140.312 86.1559 13.8107 -146.304 13.81 -375.641 GPRESSURE: 3919800 -411.361 129.125 -142.514 101.21 18.6146 -26.2534 -21.2979 -73.1368 -356.543 PRESSAVG: 3919800 -8.61384 -64.8493 -5.51183 -64.8492 -30.8775 29.6228 -5.51178 29.6229 18.0582 GPRESSAVG: 3919800 -7.23641 -66.6736 -5.50827 -64.0722 -31.9907 29.2207 -2.35621 28.5596 17.7236 TIMING: 3919800 CPU: 12394.4, 0.00319848/step Wall: 12394.4, 0.00319848/step, 0.959721 hours remaining, 238.558594 MB of memory in use. ENERGY: 3919800 4015.9147 20462.2845 14436.6536 241.0768 -203465.7178 2451.1219 0.0000 0.0000 52062.8651 -109795.8012 299.2060 -161858.6663 -109421.7668 298.8281 -279.2789 -249.7633 760829.8864 -7.1444 -7.1678 PRESSURE: 3920000 -170.23 -46.7112 80.0537 -46.7114 -129.365 -17.421 80.0536 -17.4213 -745.518 GPRESSURE: 3920000 -162.829 -66.7423 161.069 36.7848 -161.247 -39.0441 -42.5966 -24.6868 -656.496 PRESSAVG: 3920000 -24.4 -11.3047 13.4762 -11.3047 33.4501 16.0861 13.4762 16.0861 -20.6995 GPRESSAVG: 3920000 -24.8381 -9.18174 11.5379 -11.8758 33.8175 15.3388 12.1904 19.7567 -20.8858 TIMING: 3920000 CPU: 12395.1, 0.00321488/step Wall: 12395.1, 0.00321488/step, 0.964464 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3920000 4033.3539 20395.6559 14513.4516 273.9155 -203695.8089 2814.9286 0.0000 0.0000 52134.7759 -109529.7275 299.6193 -161664.5034 -109168.7158 298.9483 -348.3709 -326.8573 762216.3428 -3.8831 -3.9688 PRESSURE: 3920200 -8.17618 -140.835 -187.086 -140.835 40.4439 23.9101 -187.086 23.9108 -169.298 GPRESSURE: 3920200 91.0033 -157.266 -131.893 -133.348 -0.887073 -57.9144 -143.258 28.8091 -159.209 PRESSAVG: 3920200 68.92 -10.4299 62.4129 -10.4299 -36.2703 30.5878 62.413 30.5878 22.024 GPRESSAVG: 3920200 68.3882 -13.0254 64.5553 -9.7759 -36.1623 32.2743 62.5796 28.665 22.5514 TIMING: 3920200 CPU: 12395.7, 0.00319642/step Wall: 12395.7, 0.00319642/step, 0.95875 hours remaining, 238.558594 MB of memory in use. ENERGY: 3920200 3976.6227 20445.9140 14428.5783 245.4766 -203188.7047 2593.5463 0.0000 0.0000 52142.1648 -109356.4019 299.6617 -161498.5667 -108979.5896 299.3167 -45.6766 -23.0308 762238.2851 18.2246 18.2591 LDB: ============= START OF LOAD BALANCING ============== 12408.1 LDB: ============== END OF LOAD BALANCING =============== 12408.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12408.1 LDB: ============= START OF LOAD BALANCING ============== 12408.4 LDB: Largest compute 7033 load 0.034683 is 17.7% of average load 0.196176 LDB: Average compute 0.004378 is 2.2% of average load 0.196176 LDB: TIME 12408.4 LOAD: AVG 0.196176 MAX 0.21607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12408.4 LOAD: AVG 0.196176 MAX 0.21607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.918 MB LDB: TIME 12408.4 LOAD: AVG 0.196176 MAX 0.21607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.918 MB LDB: ============== END OF LOAD BALANCING =============== 12408.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12408.4 PRESSURE: 3920400 81.2196 38.6156 -174.326 38.616 -202.252 118.177 -174.327 118.176 -193.965 GPRESSURE: 3920400 94.8026 -0.0322067 -133.044 79.4059 -145.296 11.1746 -239.918 304.591 -166.464 PRESSAVG: 3920400 31.7905 -43.8059 9.15431 -43.8059 -67.3988 3.55399 9.15422 3.55394 5.46663 GPRESSAVG: 3920400 31.1783 -42.3608 8.68693 -42.7149 -65.1809 2.07535 9.80165 3.18293 4.39024 TIMING: 3920400 CPU: 12396.4, 0.00326626/step Wall: 12396.4, 0.00326626/step, 0.979516 hours remaining, 239.125000 MB of memory in use. ENERGY: 3920400 3886.8547 20596.7190 14510.0359 247.1064 -203445.3946 2801.4593 0.0000 0.0000 52018.9729 -109384.2463 298.9538 -161403.2192 -109016.0361 299.1310 -104.9988 -72.3193 762180.1896 -10.0472 -9.8708 PRESSURE: 3920600 214.759 21.023 -19.7509 21.0229 262.873 334.786 -19.7504 334.786 165.616 GPRESSURE: 3920600 300.853 -31.7181 -34.5888 -6.21372 203.4 265.736 5.34011 169.084 209.031 PRESSAVG: 3920600 31.1086 -24.5569 22.2002 -24.557 -29.6258 18.0912 22.2002 18.0912 16.3276 GPRESSAVG: 3920600 31.8842 -24.4008 22.775 -26.7562 -31.3114 17.6087 18.5362 17.7724 16.9093 TIMING: 3920600 CPU: 12397, 0.00320155/step Wall: 12397, 0.00320155/step, 0.959932 hours remaining, 239.125000 MB of memory in use. ENERGY: 3920600 3987.1311 20494.3213 14465.8745 254.6436 -203199.6832 2635.6930 0.0000 0.0000 52124.3806 -109237.6391 299.5595 -161362.0197 -108883.2081 299.3262 214.4162 237.7612 762004.7422 5.9368 5.8274 PRESSURE: 3920800 -214.285 60.7857 184.261 60.7867 -13.5288 100.181 184.26 100.18 -270.245 GPRESSURE: 3920800 -177.514 41.8963 185.623 22.7185 67.3305 159.708 96.1661 50.036 -298.821 PRESSAVG: 3920800 15.7676 -36.2215 -18.9522 -36.2215 24.786 48.9452 -18.9522 48.9452 1.16362 GPRESSAVG: 3920800 16.9127 -35.674 -18.1951 -36.4375 24.1686 51.0103 -19.1539 49.5692 0.857782 TIMING: 3920800 CPU: 12397.6, 0.00320503/step Wall: 12397.6, 0.00320504/step, 0.960798 hours remaining, 239.125000 MB of memory in use. ENERGY: 3920800 4023.8534 20727.0311 14421.0016 246.4510 -203242.2244 2405.9080 0.0000 0.0000 52259.4786 -109158.5008 300.3359 -161417.9794 -108793.4963 300.1234 -166.0199 -136.3348 760694.9723 13.9057 13.9797 PRESSURE: 3921000 -201.485 187.078 -360.145 187.078 -580.095 11.8722 -360.146 11.8728 -457.975 GPRESSURE: 3921000 -234.821 182.125 -362.906 201.823 -463.037 46.035 -207.301 -13.8948 -458.455 PRESSAVG: 3921000 25.0419 15.6238 -73.452 15.6237 36.7329 37.6776 -73.452 37.6776 -57.0581 GPRESSAVG: 3921000 23.0562 14.7761 -74.5425 17.9615 38.6307 36.9062 -71.0153 37.0198 -56.9233 TIMING: 3921000 CPU: 12398.3, 0.00318837/step Wall: 12398.3, 0.00318837/step, 0.955626 hours remaining, 239.125000 MB of memory in use. ENERGY: 3921000 4020.6860 20282.5104 14445.4539 233.8330 -202598.3914 2211.0717 0.0000 0.0000 52364.6038 -109040.2327 300.9401 -161404.8364 -108663.6546 299.5411 -413.1848 -385.4374 763709.6276 1.5722 1.5879 PRESSURE: 3921200 293.926 -22.9918 -46.1155 -22.9912 -131.958 -211.589 -46.1159 -211.588 -158.311 GPRESSURE: 3921200 357.928 79.3408 -96.3999 -6.48238 -108.679 -260.889 49.1774 -144.744 -143.888 PRESSAVG: 3921200 71.3242 4.64087 -7.62003 4.64094 -83.19 4.53484 -7.62 4.53493 22.5008 GPRESSAVG: 3921200 72.2408 4.12908 -8.6159 5.15849 -83.6091 4.86006 -6.28454 4.37949 22.7414 TIMING: 3921200 CPU: 12398.9, 0.00321211/step Wall: 12398.9, 0.00321211/step, 0.962562 hours remaining, 239.125000 MB of memory in use. ENERGY: 3921200 3939.6710 20666.6901 14385.6186 235.1989 -202770.3616 2546.5567 0.0000 0.0000 52218.0690 -108778.5572 300.0980 -160996.6262 -108420.0427 300.2325 1.2191 35.1202 761403.3644 3.5450 3.7910 PRESSURE: 3921400 -70.9464 98.1331 32.6705 98.1338 12.9697 -308.093 32.6718 -308.093 52.6526 GPRESSURE: 3921400 -35.8277 92.2829 60.7723 123.109 72.8204 -236.719 -58.8783 -141.56 42.1513 PRESSAVG: 3921400 15.1316 -69.8929 3.45552 -69.893 -25.129 16.7906 3.45552 16.7907 -23.8523 GPRESSAVG: 3921400 15.701 -68.3622 4.93213 -70.8085 -25.6308 15.9467 2.19343 16.5676 -24.3045 TIMING: 3921400 CPU: 12399.6, 0.00316984/step Wall: 12399.6, 0.00316984/step, 0.949719 hours remaining, 239.125000 MB of memory in use. ENERGY: 3921400 4063.6323 20456.1172 14443.9655 255.4954 -203124.4994 2410.8791 0.0000 0.0000 52664.6297 -108829.7803 302.6644 -161494.4100 -108461.6300 300.3808 -1.7747 26.3813 760880.5931 -11.2832 -11.4114 PRESSURE: 3921600 -563.842 43.0012 -295.482 43.0009 86.5839 -303.965 -295.481 -303.965 -59.4299 GPRESSURE: 3921600 -380.551 -5.12532 -291.467 79.1982 41.3554 -330.33 -208.695 -265.071 -117.413 PRESSAVG: 3921600 9.39265 -50.21 -69.4857 -50.21 3.29909 7.12082 -69.4857 7.12081 8.2781 GPRESSAVG: 3921600 8.08406 -50.2966 -71.0948 -50.3375 3.84505 6.74491 -69.2338 7.56185 8.27342 TIMING: 3921600 CPU: 12400.2, 0.00316589/step Wall: 12400.2, 0.00316589/step, 0.948359 hours remaining, 239.125000 MB of memory in use. ENERGY: 3921600 4061.8528 20567.2397 14471.3129 253.6105 -202526.9965 2299.7667 0.0000 0.0000 52101.6297 -108771.5842 299.4288 -160873.2138 -108402.0585 300.6611 -178.8960 -152.2028 761706.4257 6.9899 6.7342 PRESSURE: 3921800 82.8213 8.9902 -51.7259 8.98971 -41.767 -196.85 -51.7264 -196.85 497.536 GPRESSURE: 3921800 143.996 111.969 -3.58184 -49.6513 95.9527 -105.26 29.9334 -118.247 369.68 PRESSAVG: 3921800 1.01832 -34.3042 -1.68556 -34.3042 -48.8168 5.0831 -1.68556 5.08314 -2.31457 GPRESSAVG: 3921800 1.86399 -34.8892 -0.74401 -33.4013 -49.0302 4.57433 -1.76965 5.11558 -3.6501 TIMING: 3921800 CPU: 12400.8, 0.00315442/step Wall: 12400.8, 0.00315442/step, 0.944748 hours remaining, 239.125000 MB of memory in use. ENERGY: 3921800 3882.9114 20594.3770 14513.2162 231.7559 -202719.2003 2407.7922 0.0000 0.0000 52213.8562 -108875.2913 300.0737 -161089.1475 -108501.3860 300.1820 179.5302 203.2094 763350.9152 -16.7043 -16.9388 PRESSURE: 3922000 119.639 13.6324 321.354 13.6323 111.932 215.537 321.354 215.537 321.836 GPRESSURE: 3922000 61.7295 -89.6245 342.779 -18.2907 237.289 88.2574 231.503 217.915 348.496 PRESSAVG: 3922000 65.0519 -39.9322 -27.1245 -39.9323 -50.5036 -18.8178 -27.1246 -18.8178 6.8805 GPRESSAVG: 3922000 64.3476 -38.0057 -27.5804 -43.2782 -50.6317 -18.5843 -27.0664 -19.9481 8.38146 TIMING: 3922000 CPU: 12401.4, 0.00316159/step Wall: 12401.4, 0.00316159/step, 0.946721 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3922000 3958.3854 20664.0679 14425.1348 258.5548 -203064.0398 2753.1805 0.0000 0.0000 52282.7756 -108721.9408 300.4698 -161004.7164 -108361.5070 300.3148 184.4688 215.8381 761836.3514 7.1429 7.3658 PRESSURE: 3922200 27.6286 38.3526 -85.3035 38.3537 -25.9524 -34.619 -85.3025 -34.619 -0.828288 GPRESSURE: 3922200 24.507 63.5453 -68.5298 90.105 8.98299 -41.2538 -71.5533 -35.2347 51.5535 PRESSAVG: 3922200 -12.8778 -45.6144 -23.5728 -45.6145 -2.90199 -11.2794 -23.5729 -11.2795 -8.5607 GPRESSAVG: 3922200 -12.1796 -48.1872 -23.4612 -44.4182 -4.27836 -11.3053 -24.613 -8.85954 -8.12391 TIMING: 3922200 CPU: 12402.1, 0.00319688/step Wall: 12402.1, 0.00319688/step, 0.957111 hours remaining, 239.125000 MB of memory in use. ENERGY: 3922200 3969.9659 20784.4578 14476.5611 241.8833 -203213.0803 2437.2714 0.0000 0.0000 52465.1759 -108837.7649 301.5181 -161302.9407 -108472.3823 300.3361 0.2826 28.3478 763952.1410 -8.1135 -8.1940 PRESSURE: 3922400 -65.7004 -141.081 -83.6958 -141.081 88.1891 19.0233 -83.6948 19.0225 134.625 GPRESSURE: 3922400 -20.1147 -103.783 -34.3939 -86.7612 177.02 83.9118 -208.327 -24.069 94.3861 PRESSAVG: 3922400 -69.3252 -44.39 -19.9918 -44.39 9.58525 -40.6556 -19.9918 -40.6556 -4.97953 GPRESSAVG: 3922400 -70.7113 -42.8966 -20.1167 -44.8308 12.0724 -39.7279 -20.256 -42.684 -5.91783 TIMING: 3922400 CPU: 12402.7, 0.00318819/step Wall: 12402.7, 0.00318819/step, 0.954332 hours remaining, 239.125000 MB of memory in use. ENERGY: 3922400 3945.9965 20502.6459 14405.1846 243.9919 -203234.2647 2758.7228 0.0000 0.0000 52258.2873 -109119.4358 300.3291 -161377.7231 -108753.9983 300.5880 52.3714 83.7637 762891.6432 -21.5732 -21.5189 PRESSURE: 3922600 -22.2672 195.789 7.00673 195.789 55.8658 192.746 7.00655 192.745 -159.531 GPRESSURE: 3922600 29.2226 258.895 -132.858 249.093 50.9007 186.853 152.555 267.788 -111.137 PRESSAVG: 3922600 4.82425 -6.15711 5.75253 -6.15713 28.254 -17.7685 5.75255 -17.7685 3.71686 GPRESSAVG: 3922600 7.20884 -5.03384 3.82081 -4.44361 26.649 -18.7227 6.97588 -14.1561 3.46515 TIMING: 3922600 CPU: 12403.4, 0.00316866/step Wall: 12403.4, 0.00316866/step, 0.94831 hours remaining, 239.125000 MB of memory in use. ENERGY: 3922600 4047.2075 20467.6228 14485.7848 238.9764 -202679.6813 2303.6393 0.0000 0.0000 51907.9177 -109228.5328 298.3155 -161136.4505 -108861.6916 299.3467 -41.9773 -10.3377 762695.2055 12.2650 12.4410 PRESSURE: 3922800 -130.992 -92.2493 -148.909 -92.2488 89.5564 -53.334 -148.908 -53.3326 217.061 GPRESSURE: 3922800 -66.332 -18.3935 -82.3576 10.264 87.0939 32.9828 -174.517 -241.008 227.252 PRESSAVG: 3922800 -86.0781 -64.3652 2.45472 -64.3651 47.1506 27.0369 2.4547 27.0368 -5.36769 GPRESSAVG: 3922800 -88.2512 -66.018 5.2425 -63.5078 49.0177 27.147 1.83456 23.4797 -5.06358 TIMING: 3922800 CPU: 12404, 0.00315998/step Wall: 12404, 0.00315998/step, 0.945537 hours remaining, 239.125000 MB of memory in use. ENERGY: 3922800 3961.1979 20588.9329 14456.2760 236.7807 -203333.6257 2610.2090 0.0000 0.0000 52203.3479 -109276.8812 300.0134 -161480.2291 -108899.1015 299.1853 58.5419 82.6713 762673.3915 -14.7651 -14.7657 PRESSURE: 3923000 284.401 19.2403 23.5212 19.2412 -7.34874 81.9673 23.5216 81.9669 580.931 GPRESSURE: 3923000 381.62 15.6037 75.58 -44.3804 40.9329 65.3415 -59.8428 100.949 510.413 PRESSAVG: 3923000 -20.314 -41.3634 25.9125 -41.3633 27.1308 -45.7813 25.9125 -45.7813 -6.66437 GPRESSAVG: 3923000 -19.5352 -41.1354 25.7372 -45.4647 25.7402 -46.759 25.871 -43.3658 -6.78615 TIMING: 3923000 CPU: 12404.6, 0.00317215/step Wall: 12404.6, 0.00317215/step, 0.949002 hours remaining, 239.125000 MB of memory in use. ENERGY: 3923000 3979.7089 20596.2762 14480.5307 252.6424 -203349.3750 2660.8488 0.0000 0.0000 52188.4146 -109190.9534 299.9275 -161379.3680 -108831.3310 299.5441 285.9944 310.9887 761698.0362 0.0508 -0.1937 PRESSURE: 3923200 57.9488 41.4939 238.311 41.4936 -43.9208 209.288 238.31 209.289 22.6207 GPRESSURE: 3923200 43.3058 -49.1062 258.841 -42.1257 67.5772 266.249 196.462 111.674 22.0496 PRESSAVG: 3923200 -8.35038 13.0562 -5.31512 13.0562 4.67302 -4.74146 -5.31515 -4.74146 4.60042 GPRESSAVG: 3923200 -7.76662 10.977 -5.24567 17.0773 4.7623 -2.61186 -4.9446 -7.53341 3.90664 TIMING: 3923200 CPU: 12405.3, 0.0031997/step Wall: 12405.3, 0.0031997/step, 0.957066 hours remaining, 239.125000 MB of memory in use. ENERGY: 3923200 3975.0894 20442.3698 14466.1677 235.7076 -203254.0010 2735.4361 0.0000 0.0000 52103.3581 -109295.8722 299.4387 -161399.2303 -108928.9861 299.6851 12.2162 44.3109 762711.1258 0.3077 0.3008 PRESSURE: 3923400 185.956 -74.0018 -1.22019 -74.002 -81.5099 -103.445 -1.21987 -103.444 345.169 GPRESSURE: 3923400 122.415 -159.307 9.40704 -195.575 53.0392 -119.208 -48.8894 -130.472 349.75 PRESSAVG: 3923400 -20.0142 -31.3403 9.09515 -31.3403 -10.8108 44.1363 9.09516 44.1364 -19.3812 GPRESSAVG: 3923400 -20.7991 -29.4142 8.9486 -33.2277 -10.943 43.5826 7.14502 45.8379 -18.2331 TIMING: 3923400 CPU: 12405.9, 0.00318144/step Wall: 12405.9, 0.00318144/step, 0.951428 hours remaining, 239.125000 MB of memory in use. ENERGY: 3923400 3896.7905 20529.1522 14525.9735 262.1300 -203687.5705 2902.2056 0.0000 0.0000 52211.1540 -109360.1646 300.0582 -161571.3186 -109001.2342 299.5588 149.8717 175.0682 762393.7138 -16.7354 -16.6584 PRESSURE: 3923600 184.765 -140.344 -87.2135 -140.344 35.6185 82.5209 -87.2139 82.5215 365.853 GPRESSURE: 3923600 203.519 -173.91 -136.614 -37.7867 136.481 87.7586 -221.942 -55.1708 307.294 PRESSAVG: 3923600 45.5707 -16.7311 17.7548 -16.7312 -47.2875 6.51001 17.7548 6.51004 3.90996 GPRESSAVG: 3923600 46.9867 -18.0365 16.1638 -16.491 -48.0573 6.0084 20.5092 6.06218 2.52643 TIMING: 3923600 CPU: 12406.5, 0.003189/step Wall: 12406.5, 0.003189/step, 0.953511 hours remaining, 239.125000 MB of memory in use. ENERGY: 3923600 3904.0472 20512.1418 14436.1391 235.0294 -203905.1843 2956.5272 0.0000 0.0000 52555.4660 -109305.8335 302.0370 -161861.2995 -108938.3582 299.6160 195.4121 215.7645 760777.9744 0.7311 0.4853 PRESSURE: 3923800 -475.034 71.7761 7.41353 71.7758 -197.188 169.701 7.41395 169.7 3.45206 GPRESSURE: 3923800 -408.522 5.6566 -54.1013 203.868 -122.284 272.49 2.20627 -44.1258 -36.3238 PRESSAVG: 3923800 84.0454 -71.8151 -14.732 -71.8151 -21.399 1.21657 -14.732 1.2166 38.2779 GPRESSAVG: 3923800 83.4629 -70.9107 -14.7664 -70.889 -21.039 1.98588 -14.7132 -0.502483 38.5384 TIMING: 3923800 CPU: 12407.2, 0.00317723/step Wall: 12407.2, 0.00317723/step, 0.949814 hours remaining, 239.125000 MB of memory in use. ENERGY: 3923800 3965.5366 20824.8486 14439.4446 252.5135 -203246.3231 2423.1601 0.0000 0.0000 52135.3119 -109205.5078 299.6224 -161340.8197 -108847.3365 299.9744 -222.9233 -189.0430 761894.6561 33.6414 33.6541 PRESSURE: 3924000 65.7908 346.821 44.5073 346.821 151.079 -91.933 44.5078 -91.933 -163.194 GPRESSURE: 3924000 134.646 407.594 6.78274 319.931 93.2401 -88.276 34.9831 99.704 -102.602 PRESSAVG: 3924000 74.499 -6.89829 -39.4158 -6.8983 8.96019 -31.607 -39.4157 -31.607 8.16057 GPRESSAVG: 3924000 75.5771 -6.94851 -38.8464 -6.92487 7.39584 -34.4152 -40.422 -29.4451 8.79831 TIMING: 3924000 CPU: 12407.8, 0.00315825/step Wall: 12407.8, 0.00315825/step, 0.943966 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3924000 3965.1516 20622.9321 14442.4669 248.1377 -202912.1403 2319.2917 0.0000 0.0000 52125.2371 -109188.9231 299.5645 -161314.1603 -108827.9073 299.9659 17.8919 41.7614 760551.6343 30.5399 30.5904 PRESSURE: 3924200 174.327 -158.85 -16.9327 -158.85 105.912 -18.0134 -16.9331 -18.0135 71.0541 GPRESSURE: 3924200 247.098 -213.773 -24.2686 -300.384 90.0053 -27.5387 -66.9199 -66.0355 120.085 PRESSAVG: 3924200 -14.1652 -13.414 -73.8638 -13.414 -1.98615 -11.8518 -73.8639 -11.8518 -11.7299 GPRESSAVG: 3924200 -15.4093 -12.0403 -72.7527 -17.7428 -1.01158 -9.08085 -73.4677 -11.4792 -11.6316 TIMING: 3924200 CPU: 12408.4, 0.00315671/step Wall: 12408.4, 0.00315671/step, 0.943329 hours remaining, 239.125000 MB of memory in use. ENERGY: 3924200 3954.2129 20525.4891 14441.2565 249.5722 -202966.1238 2519.6482 0.0000 0.0000 52037.0617 -109238.8831 299.0577 -161275.9448 -108876.5053 299.4379 117.0977 152.3963 761146.3236 -9.2938 -9.3508 LDB: ============= START OF LOAD BALANCING ============== 12420.8 LDB: ============== END OF LOAD BALANCING =============== 12420.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12420.8 LDB: ============= START OF LOAD BALANCING ============== 12421.2 LDB: Largest compute 7068 load 0.036523 is 18.6% of average load 0.196131 LDB: Average compute 0.004401 is 2.2% of average load 0.196131 LDB: TIME 12421.2 LOAD: AVG 0.196131 MAX 0.218642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.254 MB LDB: TIME 12421.2 LOAD: AVG 0.196131 MAX 0.218642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: TIME 12421.2 LOAD: AVG 0.196131 MAX 0.218642 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: ============== END OF LOAD BALANCING =============== 12421.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12421.2 PRESSURE: 3924400 -209.836 -18.6494 25.5548 -18.6486 -16.4048 -139.772 25.5551 -139.771 -294.538 GPRESSURE: 3924400 -106.417 -43.9477 63.2752 -26.6861 -34.2515 -73.7596 44.6794 -21.1328 -291.175 PRESSAVG: 3924400 57.8751 4.75984 -5.14267 4.75985 -14.4356 -11.4991 -5.14273 -11.4991 -15.4648 GPRESSAVG: 3924400 57.3865 2.45196 -4.73227 6.84384 -13.5987 -10.8942 -8.24712 -13.2315 -16.0944 TIMING: 3924400 CPU: 12409.1, 0.00324757/step Wall: 12409.1, 0.00324757/step, 0.970301 hours remaining, 238.355469 MB of memory in use. ENERGY: 3924400 4044.2776 20563.9437 14491.5273 257.3160 -203169.7540 2674.6293 0.0000 0.0000 51948.5921 -109189.4680 298.5493 -161138.0601 -108837.9463 299.5337 -173.5929 -143.9478 762501.0962 9.3249 9.2312 PRESSURE: 3924600 39.3749 -41.8795 -34.188 -41.879 -94.2143 215.354 -34.1877 215.354 -218.996 GPRESSURE: 3924600 54.7756 -67.5396 -101.647 -5.83327 -40.4326 199.618 125.026 152.751 -198.754 PRESSAVG: 3924600 -15.2691 -24.0067 6.88995 -24.0067 24.8219 27.463 6.88991 27.463 0.500894 GPRESSAVG: 3924600 -14.6653 -23.7115 5.66597 -21.8191 25.1685 24.451 10.2392 29.2286 -0.439962 TIMING: 3924600 CPU: 12409.7, 0.00318703/step Wall: 12409.7, 0.00318703/step, 0.952038 hours remaining, 238.355469 MB of memory in use. ENERGY: 3924600 4012.0968 20581.0258 14440.6505 251.2273 -203316.0776 2851.5950 0.0000 0.0000 52195.0331 -108984.4491 299.9656 -161179.4821 -108616.6431 300.1933 -91.2786 -61.4704 762940.9093 3.3512 3.3544 PRESSURE: 3924800 -175.216 -78.694 -274.346 -78.6936 -224.148 -275.887 -274.346 -275.888 -81.3618 GPRESSURE: 3924800 -238.735 -107.726 -213.116 -88.7887 -144.513 -286.04 -178.858 -214.091 -12.2106 PRESSAVG: 3924800 -20.3382 -32.0881 35.4277 -32.088 14.4323 -37.1118 35.4276 -37.1119 16.1412 GPRESSAVG: 3924800 -19.774 -31.2326 34.0844 -31.6174 13.222 -36.1122 33.0663 -38.8869 17.3103 TIMING: 3924800 CPU: 12410.4, 0.00317109/step Wall: 12410.4, 0.00317108/step, 0.947097 hours remaining, 238.355469 MB of memory in use. ENERGY: 3924800 3991.3263 20488.9344 14434.7211 249.7258 -203077.5076 2577.9992 0.0000 0.0000 52243.3810 -109091.4197 300.2434 -161334.8007 -108714.3678 299.8766 -160.2420 -131.8197 760496.8527 3.4118 3.5861 PRESSURE: 3925000 -23.4995 11.1511 -209.864 11.1516 -75.8761 -300.695 -209.865 -300.695 -339.644 GPRESSURE: 3925000 28.9608 -69.7158 -174.949 -80.3974 6.11693 -317.741 -52.8708 -107.437 -376.176 PRESSAVG: 3925000 -16.28 -10.074 -40.9749 -10.0741 0.841057 -13.8937 -40.9749 -13.8937 -2.9521 GPRESSAVG: 3925000 -16.2041 -9.14177 -40.0744 -13.3742 1.10023 -12.9048 -40.0162 -12.835 -3.10004 TIMING: 3925000 CPU: 12411, 0.00317987/step Wall: 12411, 0.00317987/step, 0.949544 hours remaining, 238.355469 MB of memory in use. ENERGY: 3925000 4002.7858 20526.4191 14505.4187 242.4639 -202874.5804 2498.7062 0.0000 0.0000 51962.2662 -109136.5204 298.6279 -161098.7867 -108773.6484 300.0257 -146.3399 -113.6995 761820.8080 -6.1303 -6.0680 PRESSURE: 3925200 -227.077 -55.7041 -6.94237 -55.7044 -24.1211 -68.5454 -6.94209 -68.5458 -262.317 GPRESSURE: 3925200 -215.168 -105.302 -25.2432 -93.9431 58.64 29.4472 -18.8017 -6.22026 -279.83 PRESSAVG: 3925200 21.372 -13.7649 -23.8895 -13.7648 -27.3507 17.8902 -23.8895 17.8902 3.06458 GPRESSAVG: 3925200 20.1525 -15.3471 -23.6118 -11.3942 -26.7789 16.3601 -23.0138 19.1892 3.52499 TIMING: 3925200 CPU: 12411.6, 0.00317607/step Wall: 12411.6, 0.00317607/step, 0.948233 hours remaining, 238.355469 MB of memory in use. ENERGY: 3925200 3986.2346 20661.2185 14446.2091 259.8426 -203370.9523 2644.4082 0.0000 0.0000 52411.3381 -108961.7012 301.2087 -161373.0393 -108590.4777 300.1417 -171.1716 -145.4529 761328.7302 -0.9714 -1.0338 PRESSURE: 3925400 -82.6983 43.2224 113.27 43.2225 89.7865 64.475 113.27 64.4754 -56.5152 GPRESSURE: 3925400 4.03934 11.8324 161.345 59.9877 71.257 126.957 64.2731 -23.6227 -37.8187 PRESSAVG: 3925400 -45.2822 -48.2102 -33.9602 -48.2102 20.2106 30.0523 -33.9601 30.0524 6.52618 GPRESSAVG: 3925400 -44.5558 -47.9803 -32.0619 -49.766 19.6824 29.5436 -35.2652 30.5785 6.68626 TIMING: 3925400 CPU: 12412.3, 0.00317878/step Wall: 12412.3, 0.00317878/step, 0.948865 hours remaining, 238.355469 MB of memory in use. ENERGY: 3925400 3934.7004 20409.3649 14392.4457 241.2110 -202580.9930 2330.2065 0.0000 0.0000 52211.2841 -109061.7804 300.0590 -161273.0645 -108691.8495 300.1849 -16.4757 12.4926 762097.8641 -6.1818 -6.0624 PRESSURE: 3925600 -24.8242 -49.599 287.487 -49.5996 -196.946 -137.417 287.486 -137.417 46.7578 GPRESSURE: 3925600 -77.3095 -148.993 283.179 -41.199 -56.3757 -97.3124 256.398 -122.725 38.0831 PRESSAVG: 3925600 1.35311 -19.4804 -33.1576 -19.4804 -32.4457 -11.2636 -33.1575 -11.2636 19.4281 GPRESSAVG: 3925600 1.06254 -19.6362 -34.3094 -19.9753 -32.1309 -11.3009 -33.449 -13.6628 18.3909 TIMING: 3925600 CPU: 12412.9, 0.00318647/step Wall: 12412.9, 0.00318646/step, 0.950983 hours remaining, 238.355469 MB of memory in use. ENERGY: 3925600 3950.1527 20558.3289 14403.7768 243.3242 -203280.4683 2632.5478 0.0000 0.0000 52289.0535 -109203.2845 300.5059 -161492.3379 -108845.6553 299.6589 -58.3373 -31.8674 760752.9595 -3.8882 -4.2258 PRESSURE: 3925800 -100.404 251.428 -35.9034 251.429 55.8379 220.736 -35.9038 220.736 -64.2389 GPRESSURE: 3925800 -57.3895 281.517 9.07185 240.582 59.4908 225.129 17.9438 215.665 -41.265 PRESSAVG: 3925800 9.47593 -24.0986 19.397 -24.0986 27.5761 19.5963 19.397 19.5964 -3.17544 GPRESSAVG: 3925800 10.0582 -23.2495 18.3867 -23.5062 26.4861 20.9282 20.9534 18.5973 -2.41868 TIMING: 3925800 CPU: 12413.5, 0.00320002/step Wall: 12413.5, 0.00320002/step, 0.954851 hours remaining, 238.355469 MB of memory in use. ENERGY: 3925800 3961.5257 20605.5226 14484.6608 244.6894 -202672.4685 2450.5923 0.0000 0.0000 51727.2772 -109198.2005 297.2774 -160925.4777 -108842.4788 299.2415 -36.2685 -13.0546 762917.3876 11.2922 11.3752 PRESSURE: 3926000 81.8155 -17.1932 -73.4859 -17.1936 -103.339 -77.6985 -73.4862 -77.6986 -95.7992 GPRESSURE: 3926000 74.9784 -79.5763 -154.148 -45.4177 11.5826 0.116371 -131.631 -125.957 -107.702 PRESSAVG: 3926000 -13.9667 -16.8495 -70.9984 -16.8495 9.08919 -16.7191 -70.9984 -16.7191 5.73843 GPRESSAVG: 3926000 -14.6159 -17.7269 -69.4859 -18.255 9.04947 -18.3335 -71.8187 -14.134 6.18417 TIMING: 3926000 CPU: 12414.2, 0.00317245/step Wall: 12414.2, 0.00317245/step, 0.946449 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3926000 3987.2220 20445.0228 14479.3149 248.5328 -203487.2443 2900.0152 0.0000 0.0000 52231.4887 -109195.6479 300.1751 -161427.1366 -108837.1820 299.2645 -39.1076 -7.0470 762327.1121 0.2870 0.2059 PRESSURE: 3926200 -7.94691 -144.581 80.8045 -144.581 53.6146 127.511 80.8049 127.512 73.6472 GPRESSURE: 3926200 2.18874 -149.167 72.0513 -226.734 47.982 101.887 146.721 171.246 154.966 PRESSAVG: 3926200 34.8739 -40.3853 55.1442 -40.3853 -18.5711 32.1409 55.1441 32.1408 -2.5 GPRESSAVG: 3926200 34.9367 -38.9144 55.532 -38.8197 -18.4635 32.4678 53.6549 32.2917 -2.08525 TIMING: 3926200 CPU: 12414.8, 0.00315633/step Wall: 12414.8, 0.00315633/step, 0.941464 hours remaining, 238.355469 MB of memory in use. ENERGY: 3926200 3951.0532 20521.4315 14562.3471 239.1346 -202981.0849 2812.2765 0.0000 0.0000 51745.2946 -109149.5475 297.3809 -160894.8421 -108799.4608 299.1943 39.7716 68.3790 762454.5532 4.6009 4.7960 PRESSURE: 3926400 145.043 16.8655 139.323 16.865 289.441 232.311 139.323 232.311 141.349 GPRESSURE: 3926400 174.911 -63.4655 156.708 58.6974 258.286 288.686 53.9177 188.698 227.208 PRESSAVG: 3926400 -8.22622 -30.1523 72.6658 -30.1522 19.2039 38.1759 72.6659 38.176 25.3923 GPRESSAVG: 3926400 -8.50666 -30.6866 71.5661 -31.4285 19.0052 38.9005 73.2249 37.2302 25.263 TIMING: 3926400 CPU: 12415.4, 0.00317228/step Wall: 12415.4, 0.00317228/step, 0.946044 hours remaining, 238.355469 MB of memory in use. ENERGY: 3926400 4034.7518 20455.9316 14408.5933 234.8147 -203396.1095 2856.1724 0.0000 0.0000 52244.2631 -109161.5827 300.2485 -161405.8458 -108802.1141 299.3718 191.9443 220.1351 762258.7760 12.1233 11.9205 PRESSURE: 3926600 378.184 154.505 -43.5929 154.504 267.843 76.8253 -43.5931 76.8251 399.423 GPRESSURE: 3926600 319.849 236.608 -2.88581 146.646 320.673 62.2602 -155.152 98.9836 482.862 PRESSAVG: 3926600 43.7476 17.0651 25.144 17.065 -19.1898 40.7758 25.144 40.7759 1.71248 GPRESSAVG: 3926600 43.1138 16.1229 25.8751 17.7591 -19.3234 42.3979 24.8737 39.1139 2.12106 TIMING: 3926600 CPU: 12416.1, 0.00318195/step Wall: 12416.1, 0.00318195/step, 0.948752 hours remaining, 238.355469 MB of memory in use. ENERGY: 3926600 3980.5165 20394.2088 14463.0309 256.1251 -203573.9410 2971.9625 0.0000 0.0000 52234.9376 -109273.1595 300.1949 -161508.0971 -108903.1059 300.0039 348.4833 374.4614 761183.7043 8.7568 8.6372 PRESSURE: 3926800 109.167 -64.7132 213.833 -64.7135 -69.3994 -37.1656 213.834 -37.1655 -69.6324 GPRESSURE: 3926800 123.152 -64.9402 229.759 -55.871 -6.00767 -35.3788 93.5095 -161.322 -64.1942 PRESSAVG: 3926800 -3.5382 -41.5486 22.9529 -41.5486 -21.5207 -51.082 22.9529 -51.082 30.6232 GPRESSAVG: 3926800 -2.93538 -40.473 22.3608 -43.3676 -21.7425 -52.7955 24.8684 -49.4161 29.917 TIMING: 3926800 CPU: 12416.7, 0.00314611/step Wall: 12416.7, 0.00314611/step, 0.937891 hours remaining, 238.355469 MB of memory in use. ENERGY: 3926800 3925.2692 20722.7720 14404.1913 242.9021 -203287.6785 2552.4840 0.0000 0.0000 52159.8432 -109280.2165 299.7633 -161440.0598 -108905.3720 299.8348 -9.9550 17.6500 762466.6549 1.8547 1.7464 PRESSURE: 3927000 -234.286 -4.29327 42.8737 -4.29426 308.682 64.8512 42.8739 64.8508 -113.548 GPRESSURE: 3927000 -115.03 -54.5223 -7.55766 15.4964 271.216 92.6639 -153.127 34.7236 -89.7441 PRESSAVG: 3927000 27.7775 -22.0025 -23.9808 -22.0025 -35.7365 -37.7964 -23.9809 -37.7964 -10.5667 GPRESSAVG: 3927000 29.6026 -21.9644 -25.681 -20.6969 -36.4911 -36.5291 -25.857 -37.737 -11.8776 TIMING: 3927000 CPU: 12417.3, 0.00317106/step Wall: 12417.3, 0.00317106/step, 0.945153 hours remaining, 238.355469 MB of memory in use. ENERGY: 3927000 4015.9182 20629.1623 14390.1754 249.3705 -203268.8311 2679.6601 0.0000 0.0000 52058.0720 -109246.4726 299.1785 -161304.5446 -108892.0748 299.8136 -13.0508 22.1474 762481.2573 -6.1752 -6.2554 PRESSURE: 3927200 -28.532 0.911305 -10.6166 0.911599 -172.994 -46.688 -10.6168 -46.6879 336.285 GPRESSURE: 3927200 -52.4423 79.2931 -23.6933 -23.4835 -25.6471 -27.421 6.84387 -16.1427 313.704 PRESSAVG: 3927200 30.5549 -12.2239 -41.0078 -12.224 -37.6359 -5.4957 -41.0078 -5.49574 0.17377 GPRESSAVG: 3927200 28.0132 -10.095 -38.9967 -14.1622 -35.6826 -5.77404 -41.8996 -6.66333 0.6352 TIMING: 3927200 CPU: 12418, 0.00317376/step Wall: 12418, 0.00317376/step, 0.945782 hours remaining, 238.355469 MB of memory in use. ENERGY: 3927200 4079.3486 20453.6704 14463.1422 233.4294 -203072.2829 2632.6813 0.0000 0.0000 51816.0331 -109393.9780 297.7875 -161210.0110 -109047.4020 299.1272 44.9194 78.5381 762963.6723 -2.3024 -2.3448 PRESSURE: 3927400 43.6998 -198.082 82.8678 -198.082 -1.5687 -13.8674 82.8674 -13.8681 -134.714 GPRESSURE: 3927400 157.883 -177.614 75.0912 -207.719 -78.8643 -5.29909 8.29105 -133.285 -90.609 PRESSAVG: 3927400 30.8819 -53.3097 26.3351 -53.3098 7.35644 3.37005 26.3351 3.37001 -1.70354 GPRESSAVG: 3927400 31.8541 -56.6124 25.8525 -49.2691 5.02947 3.18908 25.6459 4.36368 -0.0785915 TIMING: 3927400 CPU: 12418.6, 0.00320842/step Wall: 12418.6, 0.00320842/step, 0.955932 hours remaining, 238.355469 MB of memory in use. ENERGY: 3927400 3977.2705 20571.8943 14465.7958 239.5746 -203311.3361 2690.3357 0.0000 0.0000 52193.5112 -109172.9539 299.9568 -161366.4651 -108803.3075 299.5794 -30.8611 -3.8634 761946.5250 12.1783 12.2683 PRESSURE: 3927600 253.834 -39.6997 -52.2886 -39.6997 374.347 88.7759 -52.288 88.7758 148.789 GPRESSURE: 3927600 287.03 36.8536 69.9812 -23.0475 464.044 171.273 -65.9913 -49.277 125.356 PRESSAVG: 3927600 -2.5797 -25.5691 10.3974 -25.5691 -11.0642 13.9288 10.3974 13.9288 -13.9225 GPRESSAVG: 3927600 -0.391069 -24.2535 10.7729 -28.6011 -11.1418 14.1216 11.7263 14.3445 -16.013 TIMING: 3927600 CPU: 12419.3, 0.00321737/step Wall: 12419.3, 0.00321737/step, 0.958419 hours remaining, 238.355469 MB of memory in use. ENERGY: 3927600 3892.9694 20563.7956 14482.0783 224.8709 -203508.2758 2820.3199 0.0000 0.0000 52347.1881 -109177.0537 300.8400 -161524.2417 -108811.1006 299.8496 258.9901 292.1433 762839.5272 -9.1888 -9.1820 PRESSURE: 3927800 -309.28 -155.48 41.555 -155.482 335.864 -41.3334 41.5553 -41.334 -34.4941 GPRESSURE: 3927800 -223.151 -88.3165 63.9596 -139.747 320.747 -124.323 52.1519 -36.1163 -27.2157 PRESSAVG: 3927800 60.9049 -28.6222 -4.73674 -28.6222 -20.5926 8.85698 -4.73673 8.85714 9.63903 GPRESSAVG: 3927800 58.9951 -29.4318 -6.65166 -28.1364 -19.1112 7.40054 -3.93878 9.74526 9.94759 TIMING: 3927800 CPU: 12419.9, 0.00320754/step Wall: 12419.9, 0.00320754/step, 0.955312 hours remaining, 238.355469 MB of memory in use. ENERGY: 3927800 3993.4111 20637.6342 14446.9245 231.8927 -203098.3260 2416.8404 0.0000 0.0000 52138.2696 -109233.3534 299.6394 -161371.6230 -108870.8248 299.4506 -2.6367 23.4602 761805.1474 16.6504 16.6105 PRESSURE: 3928000 150.225 -196.485 -22.7232 -196.485 -71.389 64.0475 -22.7238 64.0487 17.3425 GPRESSURE: 3928000 64.7874 -210.003 -29.5716 -124.118 18.6109 113.669 47.0683 173.217 78.6463 PRESSAVG: 3928000 -11.1426 -97.1087 24.7585 -97.1087 30.5957 24.8163 24.7585 24.8164 -16.7062 GPRESSAVG: 3928000 -10.7773 -97.4066 25.6803 -96.5879 29.78 26.2131 25.3764 24.253 -16.1366 TIMING: 3928000 CPU: 12420.5, 0.00319901/step Wall: 12420.5, 0.00319901/step, 0.952594 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3928000 3918.4741 20576.0693 14514.8753 264.0441 -203214.2668 2431.1729 0.0000 0.0000 52083.8717 -109425.7594 299.3267 -161509.6310 -109062.0795 299.7861 32.0594 54.0149 762030.3628 0.9156 0.9554 PRESSURE: 3928200 -43.9225 206.953 26.3688 206.952 -17.8904 -6.25021 26.3707 -6.25079 326.736 GPRESSURE: 3928200 37.9274 86.7803 27.5504 188.188 23.1757 -26.0951 18.8938 -29.1322 289.898 PRESSAVG: 3928200 56.9764 16.1002 -15.9596 16.1002 -67.0684 59.3337 -15.9596 59.3337 -13.9634 GPRESSAVG: 3928200 57.1767 15.7331 -16.2569 15.8362 -65.9681 58.2764 -15.7871 58.3998 -15.3837 TIMING: 3928200 CPU: 12421.2, 0.00316101/step Wall: 12421.2, 0.00316101/step, 0.941102 hours remaining, 238.355469 MB of memory in use. ENERGY: 3928200 3996.4273 20729.4246 14499.2528 239.1222 -203685.2878 2693.4036 0.0000 0.0000 52092.6904 -109434.9668 299.3774 -161527.6572 -109081.7398 299.1100 88.3077 117.0004 760354.9855 -8.0184 -8.0584 LDB: ============= START OF LOAD BALANCING ============== 12433.6 LDB: ============== END OF LOAD BALANCING =============== 12433.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12433.6 LDB: ============= START OF LOAD BALANCING ============== 12433.9 LDB: Largest compute 7033 load 0.032005 is 16.3% of average load 0.196024 LDB: Average compute 0.004392 is 2.2% of average load 0.196024 LDB: TIME 12433.9 LOAD: AVG 0.196024 MAX 0.217691 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12433.9 LOAD: AVG 0.196024 MAX 0.217691 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 12433.9 LOAD: AVG 0.196024 MAX 0.217691 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 12433.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12433.9 PRESSURE: 3928400 -27.2279 62.6271 -41.3165 62.6285 184.391 325.922 -41.3176 325.923 141.622 GPRESSURE: 3928400 -3.10869 52.7253 -65.4091 106.133 171.955 259.38 97.3613 318.366 226.839 PRESSAVG: 3928400 5.22124 -10.7255 -14.7074 -10.7255 -14.2422 26.6381 -14.7074 26.6381 -10.8272 GPRESSAVG: 3928400 5.13226 -8.89489 -13.985 -11.0651 -15.2991 28.3934 -14.7059 27.1133 -9.62513 TIMING: 3928400 CPU: 12421.8, 0.00324111/step Wall: 12421.8, 0.00324111/step, 0.964772 hours remaining, 237.843750 MB of memory in use. ENERGY: 3928400 4053.1237 20453.8427 14454.6338 238.7855 -203689.0504 2842.6593 0.0000 0.0000 52130.5413 -109515.4642 299.5949 -161646.0055 -109143.7049 299.4354 99.5950 131.8950 761250.0854 -6.6161 -6.5973 PRESSURE: 3928600 -121.241 -65.2218 -9.55221 -65.2214 -245.85 194.642 -9.55196 194.642 282.806 GPRESSURE: 3928600 -29.5758 1.67433 -58.5968 -150.57 -199.772 177.636 -45.9348 21.1436 228.811 PRESSAVG: 3928600 78.0713 -6.14848 12.8006 -6.14848 -76.7532 43.9411 12.8006 43.9411 16.5212 GPRESSAVG: 3928600 78.1208 -5.64549 11.3015 -4.10559 -76.6429 41.6368 13.0469 41.1295 16.4095 TIMING: 3928600 CPU: 12422.5, 0.0031679/step Wall: 12422.5, 0.0031679/step, 0.942801 hours remaining, 237.843750 MB of memory in use. ENERGY: 3928600 3956.7688 20649.2522 14472.1926 254.2876 -203478.4117 2528.6221 0.0000 0.0000 52112.5373 -109504.7511 299.4915 -161617.2884 -109147.5212 299.0484 -28.0946 -0.1789 763205.4435 5.9464 5.9624 PRESSURE: 3928800 48.5611 50.0332 54.9985 50.0335 -9.99338 -136.61 54.9986 -136.609 8.79517 GPRESSURE: 3928800 74.7246 71.3996 87.9105 -43.6993 37.9568 -149.043 15.6441 -208.932 27.9635 PRESSAVG: 3928800 66.238 -82.7796 15.0133 -82.7796 -34.0977 -60.7474 15.0132 -60.7475 3.25502 GPRESSAVG: 3928800 67.2787 -83.1087 17.0702 -86.8904 -34.5675 -60.0803 13.6545 -57.3421 2.8692 TIMING: 3928800 CPU: 12423.1, 0.00317324/step Wall: 12423.1, 0.00317324/step, 0.944214 hours remaining, 237.843750 MB of memory in use. ENERGY: 3928800 3954.1461 20552.9162 14537.9259 243.9931 -203392.1862 2610.3703 0.0000 0.0000 51924.0226 -109568.8120 298.4081 -161492.8347 -109210.7439 299.0220 15.7876 46.8817 760482.3166 11.7985 11.8602 PRESSURE: 3929000 -33.5882 -76.5136 -12.8155 -76.5122 -151.411 -168.217 -12.8159 -168.217 -789.817 GPRESSURE: 3929000 -69.5907 85.531 -4.5726 -146.43 -151.505 -192.215 9.50631 -232.954 -701.036 PRESSAVG: 3929000 12.9701 -23.5479 5.40083 -23.5479 26.0189 10.8886 5.40081 10.8885 -3.11853 GPRESSAVG: 3929000 12.7673 -23.3827 5.93148 -20.3108 26.116 10.7985 7.0352 9.34596 -2.48856 TIMING: 3929000 CPU: 12423.7, 0.00316876/step Wall: 12423.7, 0.00316876/step, 0.942706 hours remaining, 237.843750 MB of memory in use. ENERGY: 3929000 4009.7390 20678.5999 14493.9590 249.4887 -203486.7438 2366.5165 0.0000 0.0000 52083.6229 -109604.8179 299.3253 -161688.4408 -109246.7157 299.1841 -324.9387 -307.3772 760662.1252 11.9568 12.1316 PRESSURE: 3929200 -30.2159 77.4849 141.627 77.4848 112.075 155.508 141.627 155.507 -7.89083 GPRESSURE: 3929200 90.2732 72.5876 61.3999 118.172 61.7225 170.034 162.91 202.912 21.797 PRESSAVG: 3929200 13.3422 -46.5323 13.2451 -46.5322 -41.1917 28.9786 13.245 28.9786 -4.32206 GPRESSAVG: 3929200 13.4102 -47.2089 11.5853 -46.8963 -41.2355 29.5033 12.3208 27.9262 -3.85987 TIMING: 3929200 CPU: 12424.4, 0.00314186/step Wall: 12424.4, 0.00314186/step, 0.934528 hours remaining, 237.843750 MB of memory in use. ENERGY: 3929200 4031.6303 20436.2569 14476.0559 232.5383 -203505.4144 2697.4492 0.0000 0.0000 52037.4186 -109594.0652 299.0598 -161631.4838 -109230.1526 298.9611 24.6560 57.9309 761493.0310 -10.7239 -10.5617 PRESSURE: 3929400 5.29166 208.787 29.3619 208.786 18.7313 110.388 29.3612 110.387 22.7686 GPRESSURE: 3929400 -72.7011 139.88 11.5239 141.417 161.927 209.729 183.302 -4.20027 59.1364 PRESSAVG: 3929400 26.396 19.0199 8.19337 19.0198 -34.9881 -5.62585 8.19338 -5.62588 10.493 GPRESSAVG: 3929400 27.0456 19.046 8.78487 18.3551 -35.4481 -5.85328 6.84865 -5.10798 10.0661 TIMING: 3929400 CPU: 12425, 0.00317645/step Wall: 12425, 0.00317644/step, 0.944639 hours remaining, 237.843750 MB of memory in use. ENERGY: 3929400 3982.7140 20432.6451 14429.7567 252.3544 -203369.1239 2712.5521 0.0000 0.0000 52079.0873 -109480.0143 299.2992 -161559.1016 -109120.2979 299.1175 15.5972 49.4542 761104.3625 0.6336 0.5545 PRESSURE: 3929600 -241.242 84.4037 -111.72 84.4036 5.48996 -251.755 -111.721 -251.753 379.827 GPRESSURE: 3929600 -174.256 151.944 -80.9167 -15.5956 126.604 -204.507 57.0882 -330.036 270.453 PRESSAVG: 3929600 -21.468 -16.0085 44.4008 -16.0086 83.6429 -17.6348 44.4007 -17.6347 -7.15172 GPRESSAVG: 3929600 -23.2351 -16.097 43.7383 -15.5458 85.2756 -17.5247 45.6267 -18.7106 -7.73366 TIMING: 3929600 CPU: 12425.6, 0.00318632/step Wall: 12425.6, 0.00318632/step, 0.9474 hours remaining, 237.843750 MB of memory in use. ENERGY: 3929600 4059.4924 20512.4532 14451.8528 234.0852 -203378.8974 2763.2814 0.0000 0.0000 51932.3935 -109425.3388 298.4562 -161357.7323 -109058.5326 299.1835 48.0252 74.2671 761806.0158 18.3410 18.1023 PRESSURE: 3929800 -149.33 -80.4923 151.157 -80.4937 -117.188 192.683 151.156 192.685 -179.695 GPRESSURE: 3929800 25.7198 -103.896 177.423 15.0585 -230.429 135.458 32.3204 132.841 -135.671 PRESSAVG: 3929800 36.9176 -30.3074 54.2562 -30.3073 14.907 12.6742 54.2562 12.674 -5.04147 GPRESSAVG: 3929800 37.2911 -33.2528 54.0632 -28.9857 13.8277 13.2023 54.5372 12.9792 -3.78312 TIMING: 3929800 CPU: 12426.3, 0.00320286/step Wall: 12426.3, 0.00320286/step, 0.952138 hours remaining, 237.843750 MB of memory in use. ENERGY: 3929800 4037.2858 20376.3289 14496.2497 256.3892 -203204.9256 2466.5930 0.0000 0.0000 52075.0971 -109496.9820 299.2763 -161572.0790 -109139.7505 299.0192 -148.7378 -113.4601 762535.6717 15.5944 15.7785 PRESSURE: 3930000 26.5202 -62.3752 -134.404 -62.3745 81.1136 -223.453 -134.405 -223.454 -309.447 GPRESSURE: 3930000 -9.70226 -53.5717 -132.966 -63.3053 180.15 -249.348 -277.664 -205.645 -277.357 PRESSAVG: 3930000 7.87128 -59.5654 10.2683 -59.5654 -66.2119 -8.47793 10.2683 -8.47787 -8.59932 GPRESSAVG: 3930000 8.34044 -54.2194 12.5414 -58.3057 -66.4641 -7.71012 10.1521 -9.639 -8.96201 TIMING: 3930000 CPU: 12426.9, 0.00316963/step Wall: 12426.9, 0.00316963/step, 0.942084 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3930000 4011.6006 20484.5664 14444.3055 241.3160 -203549.9235 2815.5732 0.0000 0.0000 52092.4906 -109460.0714 299.3763 -161552.5619 -109101.8079 298.3904 -67.2710 -35.6364 762325.9706 -22.3133 -22.3619 PRESSURE: 3930200 -119.331 -4.67753 275.332 -4.67817 -212.996 282.062 275.333 282.062 -140.771 GPRESSURE: 3930200 -105.794 -34.5717 199.529 -110.155 -165.659 148.474 250.068 248.985 -130.321 PRESSAVG: 3930200 61.142 -32.9548 29.4018 -32.9549 -31.9989 -45.4916 29.4018 -45.4918 19.1969 GPRESSAVG: 3930200 62.0107 -35.6365 28.0192 -33.7689 -31.5072 -46.3918 28.8356 -45.2981 18.2225 TIMING: 3930200 CPU: 12427.5, 0.00318381/step Wall: 12427.5, 0.00318381/step, 0.946121 hours remaining, 237.843750 MB of memory in use. ENERGY: 3930200 3991.2300 20255.1988 14475.8239 244.9543 -203285.7288 2743.4073 0.0000 0.0000 51940.6582 -109634.4563 298.5037 -161575.1145 -109268.4447 299.0374 -157.6994 -133.9243 763812.1607 16.1133 16.2420 PRESSURE: 3930400 -5.77137 74.1634 209.806 74.1651 81.5934 244.373 209.805 244.372 -411.972 GPRESSURE: 3930400 -14.5778 60.4211 286.36 15.6807 166.863 327.506 115.9 289.822 -402.382 PRESSAVG: 3930400 22.4423 14.2366 22.3983 14.2365 9.30221 74.2742 22.3983 74.2743 13.7357 GPRESSAVG: 3930400 22.163 14.544 22.0523 13.5253 8.54684 73.7807 22.8013 75.7663 14.7495 TIMING: 3930400 CPU: 12428.2, 0.00321626/step Wall: 12428.2, 0.00321626/step, 0.955587 hours remaining, 237.843750 MB of memory in use. ENERGY: 3930400 4045.9775 20488.4243 14404.1489 245.6849 -203437.6314 2671.9394 0.0000 0.0000 51951.6858 -109629.7705 298.5671 -161581.4563 -109266.2336 298.6405 -112.0501 -83.3656 762878.3565 15.1601 15.1531 PRESSURE: 3930600 314.883 27.7111 -319.673 27.7116 250.891 -215.975 -319.673 -215.975 -178.243 GPRESSURE: 3930600 400.039 122.074 -249.544 -30.3509 262.284 -264.255 -226.93 -37.335 -199.689 PRESSAVG: 3930600 1.31779 52.0026 65.6861 52.0025 5.78648 40.2666 65.6861 40.2665 -12.6753 GPRESSAVG: 3930600 0.844526 52.3647 65.3137 52.0839 7.5172 42.1856 67.9022 40.5753 -14.2866 TIMING: 3930600 CPU: 12428.8, 0.00318154/step Wall: 12428.8, 0.00318154/step, 0.945095 hours remaining, 237.843750 MB of memory in use. ENERGY: 3930600 3935.3787 20407.1619 14480.7669 232.5439 -203618.9020 2726.1717 0.0000 0.0000 51858.4444 -109978.4346 298.0312 -161836.8790 -109623.1032 298.5506 129.1770 154.2111 762046.2270 -1.8570 -1.9750 PRESSURE: 3930800 52.3602 92.7914 -29.4761 92.7914 247.692 111.102 -29.4763 111.102 362.349 GPRESSURE: 3930800 78.9779 58.9814 12.8352 60.6719 327.603 121.569 105.681 13.543 350.661 PRESSAVG: 3930800 13.8842 10.648 -19.8478 10.648 30.4378 17.999 -19.8478 17.999 -20.2735 GPRESSAVG: 3930800 14.1254 11.1242 -20.005 11.1602 28.7818 15.6674 -22.5918 16.6055 -19.161 TIMING: 3930800 CPU: 12429.5, 0.00317079/step Wall: 12429.5, 0.00317079/step, 0.941726 hours remaining, 237.843750 MB of memory in use. ENERGY: 3930800 4000.7451 20344.1726 14529.2150 266.4017 -203998.7042 3003.4590 0.0000 0.0000 51960.5094 -109894.2014 298.6178 -161854.7108 -109541.7482 298.0127 220.8003 252.4137 761855.5212 8.0162 7.9154 PRESSURE: 3931000 -180.613 -181.738 42.3119 -181.738 -486.649 -49.8464 42.3125 -49.8455 -24.9154 GPRESSURE: 3931000 -126.375 -162.701 135.81 -270.051 -454.945 -34.218 -32.9992 8.68197 -0.781367 PRESSAVG: 3931000 20.8768 -52.0819 -7.47244 -52.0819 -39.2873 -57.6559 -7.47251 -57.6559 21.7816 GPRESSAVG: 3931000 21.1425 -50.9826 -7.01023 -53.6619 -38.3465 -55.2871 -5.70714 -55.9447 21.1902 TIMING: 3931000 CPU: 12430.1, 0.00317908/step Wall: 12430.1, 0.00317908/step, 0.944011 hours remaining, 237.843750 MB of memory in use. ENERGY: 3931000 3921.8049 20446.8942 14515.3459 244.4644 -203663.5368 2500.5675 0.0000 0.0000 52098.5506 -109935.9095 299.4111 -162034.4600 -109577.0630 298.4076 -230.7256 -194.0338 763182.9592 1.1237 1.3288 PRESSURE: 3931200 113.407 31.4448 -132.519 31.4444 280.297 -268.761 -132.519 -268.762 279.425 GPRESSURE: 3931200 40.2534 -30.6652 -139.041 36.1651 414.22 -330.849 -157.986 -325.047 309.632 PRESSAVG: 3931200 9.06336 14.4046 -41.2729 14.4046 -34.7442 -14.4539 -41.2729 -14.454 10.2397 GPRESSAVG: 3931200 9.06595 12.6906 -40.8613 15.0827 -34.8804 -15.6009 -39.8144 -14.9502 9.94603 TIMING: 3931200 CPU: 12430.7, 0.0031625/step Wall: 12430.7, 0.0031625/step, 0.938911 hours remaining, 237.843750 MB of memory in use. ENERGY: 3931200 3974.6472 20431.5576 14471.2089 240.6452 -203630.2815 2820.8549 0.0000 0.0000 51835.4502 -109855.9175 297.8990 -161691.3677 -109503.5011 298.1129 224.3764 254.7020 762274.1961 -5.1471 -5.2895 PRESSURE: 3931400 324.689 165.389 -1.10118 165.389 -132.8 -101.654 -1.10154 -101.654 290.578 GPRESSURE: 3931400 415.781 144.324 -46.5812 147.4 -128.536 -167.221 -28.4998 -85.1556 270.744 PRESSAVG: 3931400 55.6516 18.5305 -9.70069 18.5305 7.47536 -43.2154 -9.70069 -43.2155 0.744107 GPRESSAVG: 3931400 55.7163 18.5918 -10.949 19.3627 6.01848 -42.931 -12.1312 -44.0095 2.27127 TIMING: 3931400 CPU: 12431.4, 0.00318028/step Wall: 12431.4, 0.00318028/step, 0.944013 hours remaining, 237.843750 MB of memory in use. ENERGY: 3931400 3896.6539 20422.3791 14468.5040 239.3636 -203572.3202 2554.1070 0.0000 0.0000 51959.3621 -110031.9505 298.6112 -161991.3126 -109664.4802 298.0245 160.8225 185.9961 761571.4293 21.2903 21.3354 PRESSURE: 3931600 -303.686 -11.6146 100.191 -11.6142 -21.0106 -117.191 100.192 -117.193 -27.2582 GPRESSURE: 3931600 -184.626 13.54 11.6198 -3.42058 -8.55954 -146.689 29.936 -196.18 -76.3537 PRESSAVG: 3931600 19.98 12.4231 -9.61607 12.4232 -9.83504 -23.1883 -9.6161 -23.1883 2.52564 GPRESSAVG: 3931600 19.5364 14.2344 -9.73797 11.5419 -8.83901 -22.1711 -8.91941 -23.4488 1.97611 TIMING: 3931600 CPU: 12432, 0.00316676/step Wall: 12432, 0.00316676/step, 0.939824 hours remaining, 237.843750 MB of memory in use. ENERGY: 3931600 3956.6076 20383.0369 14458.2569 256.8719 -203632.2226 2598.4397 0.0000 0.0000 51782.7314 -110196.2781 297.5961 -161979.0095 -109844.1518 298.1265 -117.3183 -89.8462 762020.8160 4.2235 4.2245 PRESSURE: 3931800 -319.371 -150.794 39.8704 -150.794 -320.487 123.172 39.8701 123.171 94.731 GPRESSURE: 3931800 -305.403 -107.543 16.817 -91.1413 -215.095 58.0937 -20.3293 80.9454 88.2853 PRESSAVG: 3931800 34.0839 -10.0056 -22.0793 -10.0056 -17.008 -0.0631891 -22.0794 -0.0631514 -11.3495 GPRESSAVG: 3931800 34.3189 -10.7091 -21.3201 -7.85455 -16.7886 0.245936 -21.3027 -1.13519 -12.7257 TIMING: 3931800 CPU: 12432.6, 0.00319343/step Wall: 12432.6, 0.00319343/step, 0.947561 hours remaining, 237.843750 MB of memory in use. ENERGY: 3931800 3960.5292 20355.3270 14399.4079 247.5510 -203456.6315 2671.9358 0.0000 0.0000 51608.4244 -110213.4562 296.5943 -161821.8806 -109858.6716 297.4485 -181.7090 -144.0710 761921.7504 1.9088 1.6015 PRESSURE: 3932000 188.216 -178.607 38.4501 -178.606 -49.9138 -298.126 38.4502 -298.126 372.089 GPRESSURE: 3932000 251.061 -87.6128 27.3884 -177.205 41.226 -278.582 -0.358404 -160.228 317.87 PRESSAVG: 3932000 54.9286 -19.6312 -15.6836 -19.6313 -52.9433 -46.148 -15.6837 -46.148 -20.5778 GPRESSAVG: 3932000 55.4989 -19.1047 -14.4789 -20.5311 -53.6962 -47.9909 -16.9043 -45.577 -20.4672 TIMING: 3932000 CPU: 12433.3, 0.00321137/step Wall: 12433.3, 0.00321136/step, 0.952705 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3932000 3910.9876 20300.6119 14386.3974 272.2641 -203749.5390 2786.7746 0.0000 0.0000 51889.5507 -110202.9526 298.2100 -162092.5034 -109840.7734 297.4577 170.1305 203.3855 758964.7319 -6.1975 -6.2215 PRESSURE: 3932200 -60.0208 -134.891 -95.9726 -134.891 155.84 90.8536 -95.9716 90.8532 123.363 GPRESSURE: 3932200 -83.8963 -64.907 -36.5034 -330.83 189.395 124.557 -83.5358 14.5732 203.379 PRESSAVG: 3932200 23.3466 -13.8949 -21.3908 -13.895 -26.7518 57.3858 -21.3908 57.3859 -6.34648 GPRESSAVG: 3932200 22.7091 -14.0384 -21.7195 -16.4217 -25.9619 58.7696 -20.8596 58.3261 -6.37816 TIMING: 3932200 CPU: 12433.9, 0.00321854/step Wall: 12433.9, 0.00321854/step, 0.954655 hours remaining, 237.843750 MB of memory in use. ENERGY: 3932200 3986.4326 20559.2910 14432.7944 241.8644 -203340.9996 2389.3503 0.0000 0.0000 51887.9193 -109843.3476 298.2006 -161731.2669 -109486.4435 297.9998 73.0606 102.9589 761233.6925 -3.2506 -3.2103 LDB: ============= START OF LOAD BALANCING ============== 12446.3 LDB: ============== END OF LOAD BALANCING =============== 12446.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12446.3 LDB: ============= START OF LOAD BALANCING ============== 12446.6 LDB: Largest compute 7031 load 0.033369 is 17.0% of average load 0.196000 LDB: Average compute 0.004396 is 2.2% of average load 0.196000 LDB: TIME 12446.6 LOAD: AVG 0.196 MAX 0.218296 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 12446.6 LOAD: AVG 0.196 MAX 0.218296 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.82 MB LDB: TIME 12446.6 LOAD: AVG 0.196 MAX 0.218296 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.82 MB LDB: ============== END OF LOAD BALANCING =============== 12446.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12446.7 PRESSURE: 3932400 31.5208 -100.506 -72.7071 -100.506 120.144 -8.17914 -72.7073 -8.17943 -192.329 GPRESSURE: 3932400 63.7203 -86.1734 -94.1565 -204.987 105.648 -55.5392 -155.517 114.782 -131.666 PRESSAVG: 3932400 19.327 27.4663 4.80699 27.4663 2.99364 32.9169 4.80698 32.9168 15.9071 GPRESSAVG: 3932400 19.1577 25.8571 2.89548 30.1166 2.34704 35.216 4.00656 32.0323 16.7877 TIMING: 3932400 CPU: 12434.6, 0.00326788/step Wall: 12434.6, 0.00326788/step, 0.969109 hours remaining, 239.125000 MB of memory in use. ENERGY: 3932400 4014.5075 20492.6274 14467.9628 249.1681 -202958.6948 2214.3604 0.0000 0.0000 51778.2698 -109741.7988 297.5704 -161520.0686 -109381.7470 298.2474 -13.5549 12.5675 761596.8381 12.7426 12.7642 PRESSURE: 3932600 -92.8976 -258.024 191.858 -258.024 120.029 139.414 191.859 139.413 -11.2043 GPRESSURE: 3932600 -6.1453 -202.94 220.452 -289.475 138.438 81.6086 188.923 -0.624874 -14.429 PRESSAVG: 3932600 -44.5631 -20.288 50.9849 -20.288 8.89394 13.6092 50.9849 13.6091 -6.79064 GPRESSAVG: 3932600 -43.5423 -18.9836 52.4757 -23.1482 8.47479 10.7522 51.4913 14.0458 -7.3191 TIMING: 3932600 CPU: 12435.2, 0.00319132/step Wall: 12435.2, 0.00319132/step, 0.946225 hours remaining, 239.125000 MB of memory in use. ENERGY: 3932600 4023.2163 20465.8135 14449.4008 266.5843 -203443.6348 2620.9999 0.0000 0.0000 51927.2780 -109690.3420 298.4268 -161617.6200 -109329.6278 298.5308 5.3089 39.2879 760260.9975 -14.1533 -14.1289 PRESSURE: 3932800 253.324 109.414 -67.7759 109.413 -163.871 48.524 -67.776 48.5238 52.408 GPRESSURE: 3932800 181.264 84.9564 -186.699 65.8552 -57.5944 81.6844 15.7325 73.1147 118.167 PRESSAVG: 3932800 41.5586 11.5048 -8.02383 11.5048 -59.8566 31.3709 -8.02382 31.3708 17.4549 GPRESSAVG: 3932800 41.6439 9.86387 -9.78358 13.9133 -59.6736 30.658 -6.92076 31.837 17.0248 TIMING: 3932800 CPU: 12435.8, 0.00320021/step Wall: 12435.8, 0.00320021/step, 0.948683 hours remaining, 239.125000 MB of memory in use. ENERGY: 3932800 3928.0629 20519.6814 14453.0783 260.5151 -203309.7286 2573.4476 0.0000 0.0000 51958.7305 -109616.2128 298.6075 -161574.9433 -109259.8582 298.5680 47.2870 80.6121 762049.5065 -0.2810 -0.3349 PRESSURE: 3933000 -224.213 -33.2555 17.0807 -33.2553 -32.3743 -139.397 17.0807 -139.396 -157.933 GPRESSURE: 3933000 -99.121 -86.7535 -24.1686 -65.2478 -10.358 -103.404 66.8599 -196.449 -206.76 PRESSAVG: 3933000 42.4529 18.3486 61.957 18.3486 -27.6533 -18.2233 61.9569 -18.2233 -24.9122 GPRESSAVG: 3933000 40.4991 21.8475 63.3801 16.4241 -26.8755 -16.961 61.9079 -18.3312 -23.9563 TIMING: 3933000 CPU: 12436.5, 0.00319595/step Wall: 12436.5, 0.00319595/step, 0.947245 hours remaining, 239.125000 MB of memory in use. ENERGY: 3933000 4023.7641 20311.4645 14417.1977 264.3145 -203650.2716 2829.3375 0.0000 0.0000 52346.4545 -109457.7388 300.8358 -161804.1933 -109087.2647 298.9315 -138.1734 -105.4132 761088.3746 -3.3708 -3.4442 PRESSURE: 3933200 -23.3609 11.1333 37.1228 11.1326 84.8666 -97.7897 37.1228 -97.7889 166.223 GPRESSURE: 3933200 56.4815 -40.2446 21.2921 -55.3668 116.653 -145.134 -12.3295 -152.909 126.711 PRESSAVG: 3933200 49.783 12.5057 85.138 12.5057 -84.8267 42.9527 85.1381 42.9526 -3.82983 GPRESSAVG: 3933200 51.1852 10.063 84.3252 15.0505 -85.5917 42.4266 85.5572 43.0267 -4.56465 TIMING: 3933200 CPU: 12437.1, 0.00322251/step Wall: 12437.1, 0.00322251/step, 0.954936 hours remaining, 239.125000 MB of memory in use. ENERGY: 3933200 3972.5953 20441.6313 14503.8977 245.5265 -203479.9693 2820.5912 0.0000 0.0000 51935.9790 -109559.7483 298.4768 -161495.7273 -109200.4529 298.9682 75.9096 99.9483 763454.1346 -12.9579 -12.9904 PRESSURE: 3933400 94.8593 -138.136 285.945 -138.136 84.8941 213.412 285.946 213.413 -347.757 GPRESSURE: 3933400 48.6572 -92.3854 322.254 1.17548 161.614 267.579 275.062 69.5523 -296.741 PRESSAVG: 3933400 22.8961 7.28759 30.2156 7.28757 -4.61596 -7.03885 30.2156 -7.03883 -14.5517 GPRESSAVG: 3933400 23.0138 6.69271 29.112 6.5537 -5.04842 -7.1192 29.1693 -7.6386 -14.2794 TIMING: 3933400 CPU: 12437.8, 0.00318601/step Wall: 12437.8, 0.00318601/step, 0.943943 hours remaining, 239.125000 MB of memory in use. ENERGY: 3933400 3942.7249 20478.9667 14516.1178 237.4120 -203271.4368 2378.2771 0.0000 0.0000 51931.8543 -109786.0841 298.4531 -161717.9384 -109416.2046 298.7567 -56.0014 -28.8234 763011.4162 1.2428 1.2287 PRESSURE: 3933600 -220.39 -235.213 -94.9027 -235.213 6.78792 123.463 -94.903 123.462 -151.101 GPRESSURE: 3933600 -181.975 -300.821 -149.437 -277.46 87.2298 101.212 -32.2565 118.949 -183.863 PRESSAVG: 3933600 -7.06226 14.586 13.6322 14.586 -4.47416 39.835 13.6322 39.835 -4.1699 GPRESSAVG: 3933600 -6.42129 15.0712 13.7765 14.3451 -4.91042 39.2296 13.7846 40.4634 -3.7306 TIMING: 3933600 CPU: 12438.4, 0.00317791/step Wall: 12438.4, 0.00317791/step, 0.941369 hours remaining, 239.125000 MB of memory in use. ENERGY: 3933600 4007.5035 20520.5664 14433.3584 254.6337 -203376.3765 2519.8683 0.0000 0.0000 51750.2769 -109890.1694 297.4096 -161640.4463 -109529.6955 298.2446 -121.5677 -92.8695 763031.5499 -5.2354 -5.0208 PRESSURE: 3933800 -528.719 261.412 -6.73734 261.413 -309.355 -91.8436 -6.73671 -91.8438 -119.111 GPRESSURE: 3933800 -503.102 352.294 50.2457 163.388 -249.421 -116.025 -18.1522 -100.63 -117.61 PRESSAVG: 3933800 -23.4354 -25.3098 16.7752 -25.3098 55.3906 -74.8366 16.7752 -74.8367 -9.11964 GPRESSAVG: 3933800 -24.9465 -26.9747 19.2158 -24.7323 57.1987 -73.3456 16.1066 -72.8885 -9.13292 TIMING: 3933800 CPU: 12439, 0.00317401/step Wall: 12439, 0.00317401/step, 0.940035 hours remaining, 239.125000 MB of memory in use. ENERGY: 3933800 4050.1777 20325.8715 14401.9201 249.4747 -202856.8966 2128.3688 0.0000 0.0000 52063.6950 -109637.3887 299.2108 -161701.0837 -109274.7928 298.6043 -319.0616 -290.0445 762216.3529 7.6118 7.7064 PRESSURE: 3934000 44.2641 43.7088 -125.794 43.7092 -329.647 93.8961 -125.793 93.8954 49.5261 GPRESSURE: 3934000 -4.74199 62.1611 -211.803 4.56193 -260.808 18.9637 -58.4218 159.348 123.622 PRESSAVG: 3934000 7.24712 22.8713 12.96 22.8713 -2.33836 24.1004 12.96 24.1004 -5.29153 GPRESSAVG: 3934000 7.19326 24.0162 10.8463 22.7732 -2.395 22.1889 15.1183 24.475 -4.99798 TIMING: 3934000 CPU: 12439.7, 0.00316777/step Wall: 12439.7, 0.00316777/step, 0.938012 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3934000 3946.8525 20303.0857 14430.9351 255.6301 -203450.5507 2688.3598 0.0000 0.0000 52135.6903 -109689.9972 299.6245 -161825.6875 -109327.7162 298.7987 -78.6188 -47.3094 762347.6072 -0.1276 -0.0666 PRESSURE: 3934200 96.1425 -82.0504 91.63 -82.0501 2.10351 -14.3717 91.6292 -14.3708 670.841 GPRESSURE: 3934200 175.596 -141.985 137.312 -87.4219 73.5445 -28.5767 84.7806 -87.6841 594.807 PRESSAVG: 3934200 59.409 -34.7049 33.9892 -34.7049 -43.0538 51.6511 33.9892 51.651 4.80258 GPRESSAVG: 3934200 60.4722 -32.3776 34.5642 -36.7792 -42.9499 53.6356 33.4201 49.8803 3.97251 TIMING: 3934200 CPU: 12440.3, 0.00316033/step Wall: 12440.3, 0.00316033/step, 0.935633 hours remaining, 239.125000 MB of memory in use. ENERGY: 3934200 3893.6671 20527.8603 14500.4046 245.1807 -203568.3249 2833.3228 0.0000 0.0000 51859.1106 -109708.7788 298.0350 -161567.8894 -109339.0338 298.7520 256.3625 281.3159 761968.9590 7.0526 7.1649 PRESSURE: 3934400 -206.507 -10.2739 60.5831 -10.2729 -384.299 33.0642 60.583 33.0634 -216.387 GPRESSURE: 3934400 -25.6945 -45.1754 15.1469 53.8074 -439.423 36.9659 140.037 111.594 -272.358 PRESSAVG: 3934400 70.5918 -59.1552 34.9822 -59.1551 -26.0125 -15.1691 34.9822 -15.1691 -19.7659 GPRESSAVG: 3934400 69.1652 -60.6933 34.595 -58.0054 -26.4913 -18.0205 34.1509 -13.0014 -18.2 TIMING: 3934400 CPU: 12440.9, 0.0031704/step Wall: 12440.9, 0.0031704/step, 0.938438 hours remaining, 239.125000 MB of memory in use. ENERGY: 3934400 3957.0640 20389.5216 14525.5369 248.6917 -203214.2250 2568.0967 0.0000 0.0000 52022.1068 -109503.2072 298.9718 -161525.3140 -109142.5793 298.8650 -269.0645 -245.8252 763439.8259 8.2711 8.1580 PRESSURE: 3934600 -190.516 -37.5178 -23.0275 -37.5172 -290.79 -129.424 -23.0278 -129.424 -240.868 GPRESSURE: 3934600 -197.376 -146.168 46.4687 25.9573 -175.429 -87.5596 -22.2761 -71.3582 -269.023 PRESSAVG: 3934600 49.6899 -26.0287 18.7952 -26.0286 -28.4894 5.71275 18.7951 5.71273 3.59185 GPRESSAVG: 3934600 50.2159 -27.7239 19.7567 -24.4425 -28.4362 7.24814 20.6515 3.94697 3.45488 TIMING: 3934600 CPU: 12441.6, 0.00313888/step Wall: 12441.6, 0.00313888/step, 0.928934 hours remaining, 239.125000 MB of memory in use. ENERGY: 3934600 3915.4521 20368.2522 14473.5560 266.1178 -203321.4603 2570.1075 0.0000 0.0000 51962.5334 -109765.4413 298.6294 -161727.9747 -109404.9582 298.5479 -240.7249 -213.9424 761809.3214 8.2641 8.4115 PRESSURE: 3934800 90.926 -156.659 166.283 -156.659 -142.209 208.164 166.282 208.163 193.104 GPRESSURE: 3934800 121.419 -106.688 61.31 -301.208 -73.2916 280.471 72.0772 132.895 183.764 PRESSAVG: 3934800 29.0326 32.9245 -11.0322 32.9245 -56.3302 39.939 -11.0323 39.939 15.1658 GPRESSAVG: 3934800 29.5173 34.3352 -11.4546 30.3991 -57.2978 41.2612 -10.717 39.6436 15.9323 TIMING: 3934800 CPU: 12442.2, 0.00315927/step Wall: 12442.2, 0.00315927/step, 0.934793 hours remaining, 239.125000 MB of memory in use. ENERGY: 3934800 4040.6037 20410.4141 14449.0481 234.8898 -203226.8450 2480.5920 0.0000 0.0000 52029.9922 -109581.3051 299.0171 -161611.2972 -109223.3734 298.6378 47.2736 77.2971 761173.3618 -4.0439 -3.9494 PRESSURE: 3935000 -5.66615 12.6314 -18.4 12.6311 -221.111 -231.451 -18.4007 -231.45 231.348 GPRESSURE: 3935000 17.2156 96.0194 86.4842 -41.8205 -165.66 -272.227 17.611 -165.844 215.956 PRESSAVG: 3935000 27.7747 -17.4297 -6.78357 -17.4297 -30.6201 40.3177 -6.78359 40.3177 -6.35409 GPRESSAVG: 3935000 27.4572 -18.4827 -5.32242 -14.0793 -30.0715 39.0941 -7.42706 40.5059 -6.85797 TIMING: 3935000 CPU: 12442.8, 0.00317811/step Wall: 12442.8, 0.00317811/step, 0.940192 hours remaining, 239.125000 MB of memory in use. ENERGY: 3935000 3946.8935 20367.9194 14487.8436 226.6274 -202944.9456 2315.7123 0.0000 0.0000 51986.4114 -109613.5380 298.7666 -161599.9493 -109251.1118 298.6437 1.5238 22.5038 762450.9536 -3.0665 -3.1574 PRESSURE: 3935200 202.572 226.063 132.824 226.062 -96.1939 -54.7291 132.825 -54.729 158.585 GPRESSURE: 3935200 139.95 257.522 105.778 124.98 -24.0222 -35.7663 101.611 -214.881 214.773 PRESSAVG: 3935200 9.9976 -73.0595 -20.6723 -73.0596 -14.8988 22.011 -20.6724 22.0111 0.872572 GPRESSAVG: 3935200 9.85681 -72.2419 -21.0145 -72.8883 -15.6144 20.7281 -19.9638 20.9242 1.91249 TIMING: 3935200 CPU: 12443.5, 0.00313044/step Wall: 12443.5, 0.00313044/step, 0.925915 hours remaining, 239.125000 MB of memory in use. ENERGY: 3935200 3929.6362 20437.1385 14600.6756 260.9920 -203359.0822 2635.4306 0.0000 0.0000 51930.2312 -109564.9783 298.4438 -161495.2094 -109195.7508 298.7433 88.3211 110.2336 761630.5037 -1.3429 -1.2817 PRESSURE: 3935400 72.0002 48.7488 29.3944 48.7485 237.385 -166.338 29.395 -166.338 392.049 GPRESSURE: 3935400 138.793 17.6612 -3.09298 33.0499 277.09 -113.843 78.4937 -173.368 382.256 PRESSAVG: 3935400 80.0966 -16.4099 3.90011 -16.4098 -37.9268 7.77499 3.90012 7.77492 -1.97051 GPRESSAVG: 3935400 79.6349 -14.753 3.71857 -21.0475 -37.7268 8.13215 6.18839 8.99637 -1.95747 TIMING: 3935400 CPU: 12444.1, 0.00315453/step Wall: 12444.1, 0.00315453/step, 0.932866 hours remaining, 239.125000 MB of memory in use. ENERGY: 3935400 4029.7677 20384.5900 14570.8528 251.0087 -203498.1648 2738.6949 0.0000 0.0000 51941.1582 -109582.0925 298.5066 -161523.2507 -109235.2401 298.5297 233.8116 266.0463 760333.9118 13.3998 13.3169 PRESSURE: 3935600 -97.3481 -74.9343 167.127 -74.9337 -296.899 194.2 167.126 194.2 -436.383 GPRESSURE: 3935600 53.128 -3.90396 97.1245 17.922 -345.72 247.191 116.022 253.389 -452.557 PRESSAVG: 3935600 43.7069 -48.004 21.5819 -48.004 -26.7208 8.65628 21.5819 8.65631 -7.88949 GPRESSAVG: 3935600 45.0359 -49.4956 22.4011 -44.1313 -27.4504 9.50837 18.7314 8.70755 -8.82435 TIMING: 3935600 CPU: 12444.7, 0.0031511/step Wall: 12444.7, 0.0031511/step, 0.931675 hours remaining, 239.125000 MB of memory in use. ENERGY: 3935600 4018.0061 20437.3619 14543.5179 246.1066 -203406.5597 2587.3793 0.0000 0.0000 51970.8150 -109603.3729 298.6770 -161574.1879 -109232.9019 298.8981 -276.8765 -248.3831 762901.0940 3.0322 2.9204 PRESSURE: 3935800 137.046 -5.6086 228.831 -5.60955 175.151 182.297 228.831 182.296 310.587 GPRESSURE: 3935800 198.561 -56.4228 153.502 -140.507 153.644 141.437 99.6701 109.201 366.529 PRESSAVG: 3935800 -1.98756 -19.5873 31.9847 -19.5872 -46.5945 63.0632 31.9847 63.0632 20.6597 GPRESSAVG: 3935800 -3.46352 -21.2401 30.4655 -20.4371 -45.1169 63.1324 31.8843 60.0111 20.4196 TIMING: 3935800 CPU: 12445.4, 0.0031637/step Wall: 12445.4, 0.0031637/step, 0.935226 hours remaining, 239.125000 MB of memory in use. ENERGY: 3935800 3916.5160 20414.9966 14494.6210 242.3777 -203680.6044 2965.6055 0.0000 0.0000 51836.7015 -109809.7861 297.9062 -161646.4876 -109448.7835 298.1793 207.5945 239.5779 763790.3061 -9.3074 -9.3869 PRESSURE: 3936000 -122.879 -42.4582 142.506 -42.4575 -52.5369 -210.157 142.505 -210.158 167.746 GPRESSURE: 3936000 4.35151 39.3072 172.382 10.9873 -44.4116 -109.939 135.851 -75.744 128.679 PRESSAVG: 3936000 7.81818 -0.178933 1.20524 -0.178916 35.9231 35.2331 1.20523 35.2332 0.868281 GPRESSAVG: 3936000 8.10907 -0.130539 0.74972 -0.201953 35.9514 35.4025 2.86083 38.429 0.725173 TIMING: 3936000 CPU: 12446, 0.0031513/step Wall: 12446, 0.0031513/step, 0.931385 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3936000 3970.6361 20359.4759 14440.7526 235.3574 -203593.4725 2597.1148 0.0000 0.0000 52122.9346 -109867.2010 299.5512 -161990.1356 -109504.5700 297.8958 -2.5567 29.5398 760110.7809 14.8698 14.9285 PRESSURE: 3936200 211.166 47.1345 -242.748 47.1344 -615.876 54.442 -242.748 54.4429 -333.805 GPRESSURE: 3936200 246.897 147.466 -225.527 -24.6589 -595.493 43.2849 -166.156 57.0798 -304.423 PRESSAVG: 3936200 59.7095 -52.2514 3.49184 -52.2514 -30.065 37.9049 3.49176 37.9049 -34.4528 GPRESSAVG: 3936200 60.4688 -51.1856 3.46284 -51.8931 -30.3662 38.7585 1.78542 37.7338 -34.9108 TIMING: 3936200 CPU: 12446.6, 0.00316948/step Wall: 12446.6, 0.00316948/step, 0.936582 hours remaining, 239.125000 MB of memory in use. ENERGY: 3936200 4002.5777 20455.8152 14441.6603 220.7205 -203358.5102 2489.7114 0.0000 0.0000 51924.3581 -109823.6670 298.4100 -161748.0251 -109463.3608 298.3652 -246.1716 -217.6728 761289.0149 -1.6028 -1.6027 LDB: ============= START OF LOAD BALANCING ============== 12459 LDB: ============== END OF LOAD BALANCING =============== 12459 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12459 LDB: ============= START OF LOAD BALANCING ============== 12459.3 LDB: Largest compute 7068 load 0.031602 is 16.1% of average load 0.196128 LDB: Average compute 0.004382 is 2.2% of average load 0.196128 LDB: TIME 12459.3 LOAD: AVG 0.196128 MAX 0.217372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12459.3 LOAD: AVG 0.196128 MAX 0.217372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 12459.3 LOAD: AVG 0.196128 MAX 0.217372 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 12459.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12459.3 PRESSURE: 3936400 15.6706 -18.4938 -99.0225 -18.4945 62.7306 189.637 -99.023 189.637 -6.04461 GPRESSURE: 3936400 95.3264 -99.2031 -63.2387 -59.7757 58.9223 217.261 -33.8021 15.4902 -0.739216 PRESSAVG: 3936400 53.3095 -89.4034 60.9591 -89.4034 -19.3323 67.7569 60.9592 67.7568 9.74039 GPRESSAVG: 3936400 52.9686 -88.8046 60.3984 -89.9308 -19.3941 66.1805 65.3338 66.5 10.0704 TIMING: 3936400 CPU: 12447.3, 0.00321112/step Wall: 12447.3, 0.00321112/step, 0.948708 hours remaining, 237.843750 MB of memory in use. ENERGY: 3936400 3976.6822 20279.8057 14503.9414 267.7904 -203523.8431 2724.8073 0.0000 0.0000 52061.0349 -109709.7812 299.1955 -161770.8160 -109341.5815 298.1610 24.1189 51.1698 760582.8610 14.5725 14.5483 PRESSURE: 3936600 370.036 -125.888 16.5929 -125.888 -99.9108 -48.1795 16.5933 -48.1791 72.0141 GPRESSURE: 3936600 323.253 -153.331 121.774 -153.79 -34.6089 -68.6077 44.4804 26.654 147.099 PRESSAVG: 3936600 18.0876 -38.5623 -8.6284 -38.5623 17.1488 18.5229 -8.62832 18.5228 -14.6166 GPRESSAVG: 3936600 17.163 -40.5385 -7.34372 -37.6485 18.3236 19.7839 -9.68435 19.0634 -14.5427 TIMING: 3936600 CPU: 12447.9, 0.00315275/step Wall: 12447.9, 0.00315275/step, 0.931287 hours remaining, 237.843750 MB of memory in use. ENERGY: 3936600 3988.2480 20456.5792 14383.7977 266.2923 -203670.6461 2633.8820 0.0000 0.0000 52144.7083 -109797.1387 299.6764 -161941.8470 -109441.2722 298.5469 114.0465 145.2476 760078.1636 6.8733 6.9813 PRESSURE: 3936800 -397.301 -201.289 120.642 -201.289 -176.386 40.4136 120.642 40.4141 -91.2284 GPRESSURE: 3936800 -307.073 -58.8385 86.0978 -172.501 -147.195 111.147 133.976 -57.7586 -119.329 PRESSAVG: 3936800 72.8251 -57.172 6.78388 -57.1719 -67.5528 -60.0105 6.78387 -60.0104 8.72601 GPRESSAVG: 3936800 74.1251 -55.5813 8.25303 -59.4249 -70.0004 -60.9846 5.31637 -59.9341 9.48538 TIMING: 3936800 CPU: 12448.5, 0.00313887/step Wall: 12448.5, 0.00313887/step, 0.927013 hours remaining, 237.843750 MB of memory in use. ENERGY: 3936800 4051.5090 20334.9085 14431.0466 250.7472 -203257.6507 2383.1811 0.0000 0.0000 52025.7100 -109780.5482 298.9925 -161806.2582 -109402.2967 298.2809 -221.6386 -191.1990 760389.0692 4.6661 4.5367 PRESSURE: 3937000 -38.7271 -71.1518 156.851 -71.1518 -244.533 -143.303 156.852 -143.303 -26.8439 GPRESSURE: 3937000 40.8646 -0.641238 76.4184 -188.619 -166.228 -174.398 186.064 -173.879 -93.0617 PRESSAVG: 3937000 8.92769 -98.9745 -13.9191 -98.9745 0.603058 8.91486 -13.9191 8.91481 -0.336802 GPRESSAVG: 3937000 8.16949 -98.2344 -15.1995 -96.2381 2.13226 8.45497 -14.9099 10.0273 -1.21207 TIMING: 3937000 CPU: 12449.2, 0.00315861/step Wall: 12449.2, 0.0031586/step, 0.932666 hours remaining, 237.843750 MB of memory in use. ENERGY: 3937000 4022.5881 20515.2329 14409.4154 264.2481 -203815.4061 2701.0406 0.0000 0.0000 52299.5174 -109603.3637 300.5660 -161902.8811 -109238.4823 298.9660 -103.3680 -72.8084 761090.3663 3.0646 3.0299 PRESSURE: 3937200 -19.1346 -110.324 -64.6952 -110.324 -122.27 -9.53161 -64.6953 -9.53101 -144.086 GPRESSURE: 3937200 -37.2023 -193.409 -36.4929 -65.0708 -60.0908 3.36672 -33.1938 -163.56 -110.358 PRESSAVG: 3937200 50.5142 -34.4481 15.4992 -34.4481 -45.9022 -0.618642 15.4992 -0.618617 -11.0856 GPRESSAVG: 3937200 49.1994 -36.689 17.7632 -35.2478 -44.5497 -0.400794 15.5786 -3.07404 -11.1799 TIMING: 3937200 CPU: 12449.8, 0.00315526/step Wall: 12449.8, 0.00315526/step, 0.931504 hours remaining, 237.843750 MB of memory in use. ENERGY: 3937200 4039.7560 20642.9686 14430.5804 224.7315 -203242.7653 2485.6035 0.0000 0.0000 51855.2346 -109563.8908 298.0127 -161419.1254 -109215.7781 299.0758 -95.1637 -69.2170 762995.2006 -2.1579 -2.1767 PRESSURE: 3937400 176.163 -306.777 97.8491 -306.777 -262.937 -48.1794 97.8502 -48.178 234.798 GPRESSURE: 3937400 170.05 -350.233 88.9896 -314.803 -166.874 -49.7613 180.063 25.6074 223.99 PRESSAVG: 3937400 57.6382 1.34174 -1.76993 1.34168 -41.1754 -31.6631 -1.7699 -31.6631 5.11502 GPRESSAVG: 3937400 58.1321 1.36647 -3.65654 1.82194 -42.8467 -31.7466 -1.34762 -28.826 6.48035 TIMING: 3937400 CPU: 12450.4, 0.0031574/step Wall: 12450.4, 0.0031574/step, 0.93196 hours remaining, 237.843750 MB of memory in use. ENERGY: 3937400 4021.0193 20474.4296 14542.3085 269.2356 -203133.6619 2378.6476 0.0000 0.0000 51948.7465 -109499.2747 298.5502 -161448.0212 -109142.2278 299.1931 49.3411 75.7221 762694.5877 7.1926 7.2553 PRESSURE: 3937600 -2.91457 119.454 -238.396 119.454 509.609 191.99 -238.397 191.99 269.15 GPRESSURE: 3937600 193.471 193.989 -133.944 26.3435 453.485 223.223 -180.966 217.393 201.376 PRESSAVG: 3937600 38.0913 -68.0142 -35.4373 -68.0142 -48.9638 -3.35248 -35.4372 -3.35244 -25.2791 GPRESSAVG: 3937600 38.9533 -68.1146 -34.0236 -67.9845 -48.0568 -2.44952 -36.4457 -4.1424 -26.8027 TIMING: 3937600 CPU: 12451, 0.00315338/step Wall: 12451, 0.00315338/step, 0.930599 hours remaining, 237.843750 MB of memory in use. ENERGY: 3937600 3923.9813 20462.7134 14496.5457 221.9752 -203355.5466 2634.4032 0.0000 0.0000 52322.2726 -109293.6551 300.6968 -161615.9278 -108926.7648 299.0616 258.6148 282.7772 761871.9401 -12.0505 -11.9687 PRESSURE: 3937800 -491.093 123.823 -86.7395 123.824 -215.007 -34.7069 -86.7381 -34.7071 -35.9105 GPRESSURE: 3937800 -399.797 60.2037 12.5615 47.539 -245.158 -82.1327 -52.9517 128.328 -8.09718 PRESSAVG: 3937800 7.89324 -21.4257 -43.6898 -21.4256 -4.40486 -9.79994 -43.6898 -9.79996 -11.7516 GPRESSAVG: 3937800 8.8459 -19.8755 -44.3082 -21.9732 -6.525 -8.46753 -41.3645 -11.0623 -10.2012 TIMING: 3937800 CPU: 12451.7, 0.00316895/step Wall: 12451.7, 0.00316895/step, 0.935017 hours remaining, 237.843750 MB of memory in use. ENERGY: 3937800 4107.3543 20498.0124 14470.4879 247.5889 -203114.2828 2545.5061 0.0000 0.0000 52097.0593 -109148.2740 299.4025 -161245.3333 -108796.1376 299.5243 -247.3369 -217.6840 762661.8167 -2.7544 -2.6268 PRESSURE: 3938000 -110.118 -3.09566 -27.2006 -3.09616 22.979 -164.453 -27.201 -164.453 -386.955 GPRESSURE: 3938000 -35.8071 -54.8764 -94.0004 38.12 12.4785 -142.92 97.6279 -83.138 -374.813 PRESSAVG: 3938000 48.7585 24.9759 -2.86627 24.9759 -56.0451 25.8511 -2.86624 25.8512 -18.2665 GPRESSAVG: 3938000 47.5457 25.4893 -5.33285 26.6379 -54.3222 25.9826 -2.44429 28.6676 -18.938 TIMING: 3938000 CPU: 12452.3, 0.00318815/step Wall: 12452.3, 0.00318815/step, 0.940504 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3938000 3989.3928 20461.2965 14533.2544 250.2855 -203507.2666 2510.0571 0.0000 0.0000 52536.3590 -109226.6214 301.9272 -161762.9803 -108857.2406 299.5062 -158.0313 -132.7138 761348.9348 -8.5177 -8.5715 PRESSURE: 3938200 440.83 46.0327 29.5372 46.0334 141.304 183.845 29.5381 183.845 438.278 GPRESSURE: 3938200 468.641 181.968 -8.24626 27.0235 223.273 208.566 -45.7474 50.636 410.362 PRESSAVG: 3938200 46.8051 54.9654 18.012 54.9655 -59.7205 -44.3428 18.012 -44.3428 -15.979 GPRESSAVG: 3938200 47.1677 55.0535 19.5728 54.6224 -59.8304 -44.8388 18.5482 -47.6925 -15.9924 TIMING: 3938200 CPU: 12452.9, 0.00316166/step Wall: 12452.9, 0.00316166/step, 0.932515 hours remaining, 237.843750 MB of memory in use. ENERGY: 3938200 3956.2474 20652.6756 14486.3585 242.0425 -203483.5984 2770.5869 0.0000 0.0000 51880.4876 -109495.2000 298.1579 -161375.6876 -109134.0680 299.6281 340.1371 367.4252 761831.8124 -9.6315 -9.5517 PRESSURE: 3938400 -263.758 -141.276 47.1815 -141.275 -131.208 -99.486 47.1809 -99.4866 -199.64 GPRESSURE: 3938400 -194.718 -73.7749 -58.748 -245.381 -95.0081 -88.2979 137.784 -23.5115 -228.435 PRESSAVG: 3938400 7.12406 -31.4313 14.9815 -31.4313 -18.7812 -7.35866 14.9815 -7.35866 10.0193 GPRESSAVG: 3938400 6.24344 -31.5267 15.3654 -32.8794 -18.424 -8.07299 14.7038 -4.47835 10.559 TIMING: 3938400 CPU: 12453.6, 0.0031622/step Wall: 12453.6, 0.0031622/step, 0.932499 hours remaining, 237.843750 MB of memory in use. ENERGY: 3938400 4069.7238 20465.6420 14424.4109 244.0767 -203437.3271 2618.0896 0.0000 0.0000 52167.9920 -109447.3921 299.8102 -161615.3841 -109076.3111 299.1574 -198.2021 -172.7204 763293.5504 -0.5459 -0.5405 PRESSURE: 3938600 -23.8961 101.748 18.8217 101.749 1.48004 182.991 18.8216 182.992 -460.359 GPRESSURE: 3938600 -41.5638 104.786 1.39743 33.4885 72.4835 249.168 -26.1606 112.383 -433.836 PRESSAVG: 3938600 31.8855 -26.6823 40.6447 -26.6823 -4.02766 -0.523356 40.6447 -0.523352 15.3711 GPRESSAVG: 3938600 32.1658 -27.4424 40.9668 -26.2598 -3.99902 -0.336882 38.3202 -2.11417 15.0878 TIMING: 3938600 CPU: 12454.2, 0.00318249/step Wall: 12454.2, 0.00318249/step, 0.938304 hours remaining, 237.843750 MB of memory in use. ENERGY: 3938600 4021.3341 20526.7409 14433.2195 273.6042 -203050.8974 2446.0916 0.0000 0.0000 51959.3428 -109390.5642 298.6111 -161349.9070 -109034.3558 299.1187 -160.9251 -134.3054 762667.3434 14.4096 14.4182 PRESSURE: 3938800 -109.908 -287.632 321.451 -287.631 199.4 -103.935 321.452 -103.936 235.123 GPRESSURE: 3938800 -124.964 -229.334 419.593 -309.201 245.978 -55.7959 344.182 -49.4129 270.641 PRESSAVG: 3938800 58.5477 -65.4919 20.5963 -65.492 6.44699 62.2411 20.5964 62.2411 16.7413 GPRESSAVG: 3938800 59.2687 -63.919 21.5094 -64.8099 6.11599 61.996 22.3772 63.3297 16.7741 TIMING: 3938800 CPU: 12454.9, 0.0031722/step Wall: 12454.9, 0.0031722/step, 0.935094 hours remaining, 237.843750 MB of memory in use. ENERGY: 3938800 3988.9765 20704.3591 14423.5228 249.5782 -203148.6513 2597.9147 0.0000 0.0000 51890.1977 -109294.1023 298.2137 -161184.3000 -108929.2258 299.3748 108.2052 130.5516 763430.6514 27.2453 27.3863 PRESSURE: 3939000 -207.575 -205.492 -139.85 -205.492 -211.324 -148.585 -139.851 -148.584 -214.305 GPRESSURE: 3939000 -242.086 -314.704 -89.0958 -207.518 -119.919 -99.7086 -186.73 -195.38 -168.163 PRESSAVG: 3939000 31.8568 -71.27 47.0356 -71.27 -25.5196 2.62816 47.0356 2.62814 -0.670817 GPRESSAVG: 3939000 32.078 -69.5842 45.5678 -72.9399 -26.6787 2.40815 47.627 3.51531 0.589128 TIMING: 3939000 CPU: 12455.5, 0.0031649/step Wall: 12455.5, 0.0031649/step, 0.932766 hours remaining, 237.843750 MB of memory in use. ENERGY: 3939000 3959.6110 20636.6878 14501.1175 256.7640 -203036.2313 2436.3154 0.0000 0.0000 52234.8893 -109010.8463 300.1946 -161245.7356 -108646.5157 299.5046 -211.0680 -176.7229 761151.2512 1.8888 1.9961 PRESSURE: 3939200 -64.4101 -197.611 -56.0673 -197.612 -18.6457 62.0306 -56.067 62.0299 189.367 GPRESSURE: 3939200 -26.1753 -86.8674 -65.1729 -149.475 25.1494 12.7658 -59.9521 48.9062 187.452 PRESSAVG: 3939200 -0.225901 -64.5446 -49.5286 -64.5446 -20.2149 35.8955 -49.5286 35.8954 3.44189 GPRESSAVG: 3939200 -0.192739 -66.3774 -48.3448 -63.8924 -19.8272 36.426 -53.2891 33.5083 3.09243 TIMING: 3939200 CPU: 12456.1, 0.00321388/step Wall: 12456.1, 0.00321388/step, 0.947024 hours remaining, 237.843750 MB of memory in use. ENERGY: 3939200 3999.2039 20780.7055 14544.4510 231.8611 -203113.5203 2504.2264 0.0000 0.0000 52158.6677 -108894.4048 299.7566 -161053.0725 -108537.7233 300.5272 35.4369 62.1421 761749.4585 -5.6663 -5.6425 PRESSURE: 3939400 109.16 -133.024 -36.8649 -133.024 132.298 -58.9572 -36.8654 -58.9575 7.95832 GPRESSURE: 3939400 179.32 -192.284 -91.2165 -193.201 133.991 -98.652 -22.1876 -26.7589 38.3918 PRESSAVG: 3939400 5.01006 -36.9811 11.776 -36.9811 6.55442 -13.9711 11.776 -13.9712 -8.76771 GPRESSAVG: 3939400 5.13034 -38.8814 11.1959 -36.6012 7.29317 -14.9893 13.8169 -12.7722 -9.93347 TIMING: 3939400 CPU: 12456.8, 0.00319828/step Wall: 12456.8, 0.00319828/step, 0.942249 hours remaining, 237.843750 MB of memory in use. ENERGY: 3939400 4039.2077 20650.1156 14407.2079 236.6166 -202614.2697 2188.1356 0.0000 0.0000 52288.7178 -108804.2686 300.5040 -161092.9863 -108455.7882 300.4625 83.1389 117.2343 762464.9706 0.9323 0.8300 PRESSURE: 3939600 -139.263 -1.13394 -17.0349 -1.13327 55.5057 -58.1683 -17.0356 -58.1706 -207.892 GPRESSURE: 3939600 -135.473 -20.3579 82.8671 -51.0129 94.2564 -39.1998 -80.2086 41.0703 -156.912 PRESSAVG: 3939600 18.8033 -82.748 22.8036 -82.7479 -3.60493 -59.2737 22.8036 -59.2738 -3.89766 GPRESSAVG: 3939600 17.4803 -80.5105 24.3038 -83.9029 -4.56622 -59.0549 24.6477 -58.6617 -1.66295 TIMING: 3939600 CPU: 12457.4, 0.00318596/step Wall: 12457.4, 0.00318595/step, 0.938441 hours remaining, 237.843750 MB of memory in use. ENERGY: 3939600 4010.5669 20731.4099 14488.5342 231.6176 -202957.6004 2510.2039 0.0000 0.0000 51983.6729 -109001.5949 298.7509 -160985.2678 -108638.6582 300.4791 -97.2164 -66.0430 762920.7954 3.7669 3.7504 PRESSURE: 3939800 296.507 -17.3995 -25.4382 -17.3995 247.203 18.2615 -25.4384 18.2609 135.454 GPRESSURE: 3939800 331.246 23.5346 -87.0902 -93.5529 320.101 175.466 104.685 -115.859 108.19 PRESSAVG: 3939800 20.8444 -104.176 22.752 -104.176 -47.0982 5.18546 22.752 5.1854 8.59341 GPRESSAVG: 3939800 20.9793 -103.087 20.3561 -104.126 -46.4209 5.77528 24.699 3.97222 7.47744 TIMING: 3939800 CPU: 12458, 0.00317788/step Wall: 12458, 0.00317788/step, 0.935886 hours remaining, 237.843750 MB of memory in use. ENERGY: 3939800 4037.0900 20559.7764 14451.4018 248.9092 -203271.7649 2722.6785 0.0000 0.0000 52215.7539 -109036.1552 300.0847 -161251.9090 -108659.7272 300.0611 226.3881 253.1793 761301.6303 -5.8868 -5.9880 PRESSURE: 3940000 217.197 73.1052 10.2501 73.1047 -188.184 41.7702 10.2505 41.7701 276.855 GPRESSURE: 3940000 135.835 120.585 8.79983 98.1404 -82.1672 -76.6215 -23.8928 147.81 336.625 PRESSAVG: 3940000 -48.9814 3.30879 33.9394 3.30878 41.7249 12.3212 33.9393 12.3213 4.68551 GPRESSAVG: 3940000 -47.6068 1.59576 36.7435 3.78057 40.8396 11.5498 32.5834 12.1633 4.82927 TIMING: 3940000 CPU: 12458.7, 0.00317016/step Wall: 12458.7, 0.00317016/step, 0.933437 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3940000 3993.4770 20447.4753 14549.0380 253.3021 -203071.2310 2420.8677 0.0000 0.0000 52146.0491 -109261.0218 299.6841 -161407.0709 -108886.3111 299.4081 101.9560 130.0978 761363.8721 -0.8570 -0.6460 PRESSURE: 3940200 -153.323 -49.6749 -137.245 -49.6745 -9.01555 45.1684 -137.245 45.1694 113.861 GPRESSURE: 3940200 -106.25 2.55284 -73.6994 -96.7042 -63.9856 61.8556 -85.6543 159.868 193.406 PRESSAVG: 3940200 2.50483 -36.7995 -35.7369 -36.7996 -18.426 24.0953 -35.7368 24.0953 20.065 GPRESSAVG: 3940200 2.53665 -37.0633 -38.208 -35.3654 -17.8512 22.8884 -39.5402 25.472 19.091 TIMING: 3940200 CPU: 12459.3, 0.00317864/step Wall: 12459.3, 0.00317864/step, 0.935757 hours remaining, 237.843750 MB of memory in use. ENERGY: 3940200 3969.7664 20461.6844 14507.1109 251.9497 -202770.3805 2456.6442 0.0000 0.0000 52028.0135 -109095.2114 299.0057 -161123.2249 -108735.8731 299.7116 -16.1593 7.7233 763319.2307 1.3813 1.2588 LDB: ============= START OF LOAD BALANCING ============== 12471.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12471.7 LDB: =============== DONE WITH MIGRATION ================ 12471.7 LDB: ============= START OF LOAD BALANCING ============== 12472 LDB: Largest compute 7068 load 0.033305 is 17.0% of average load 0.196183 LDB: Average compute 0.004384 is 2.2% of average load 0.196183 LDB: TIME 12472 LOAD: AVG 0.196183 MAX 0.21883 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 12472 LOAD: AVG 0.196183 MAX 0.21883 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.168 MB LDB: TIME 12472 LOAD: AVG 0.196183 MAX 0.21883 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.168 MB LDB: ============== END OF LOAD BALANCING =============== 12472 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12472 PRESSURE: 3940400 121.492 66.3882 18.7434 66.3879 7.06338 -1.46719 18.7438 -1.46723 271.768 GPRESSURE: 3940400 158.023 -27.9599 -14.1297 75.9115 80.1005 43.5091 -58.9039 97.139 247.765 PRESSAVG: 3940400 -30.6644 -4.90175 -47.7501 -4.90179 2.56954 24.935 -47.75 24.935 -15.641 GPRESSAVG: 3940400 -31.1944 -6.32525 -46.1839 -7.9345 2.11848 26.1362 -45.0113 22.8671 -14.3057 TIMING: 3940400 CPU: 12460, 0.0032023/step Wall: 12460, 0.0032023/step, 0.942543 hours remaining, 237.332031 MB of memory in use. ENERGY: 3940400 3864.9561 20691.6045 14531.7130 246.0496 -203171.7729 2634.6155 0.0000 0.0000 51802.0253 -109400.8089 297.7070 -161202.8342 -109040.5443 299.3635 133.4412 161.9628 761597.7900 -14.5786 -14.4605 PRESSURE: 3940600 -106.075 -77.9495 139.361 -77.9492 -208.014 -116.875 139.362 -116.874 -119.486 GPRESSURE: 3940600 -59.8498 -28.499 75.7514 103.882 -163.454 -53.1273 189.072 -187.088 -117.934 PRESSAVG: 3940600 50.7212 -13.7561 -13.758 -13.7561 -50.5399 -45.2329 -13.758 -45.233 -3.41384 GPRESSAVG: 3940600 51.4004 -12.5148 -14.6999 -10.0859 -49.9727 -44.1867 -14.3208 -44.1273 -4.2708 TIMING: 3940600 CPU: 12460.6, 0.00314672/step Wall: 12460.6, 0.00314672/step, 0.926011 hours remaining, 237.332031 MB of memory in use. ENERGY: 3940600 3971.0836 20721.3227 14547.5442 236.4789 -203406.4280 2744.9073 0.0000 0.0000 51985.9521 -109199.1392 298.7640 -161185.0913 -108830.9057 299.2460 -144.5251 -113.7458 761856.7540 -1.0775 -0.9477 PRESSURE: 3940800 202 -17.9335 -202.969 -17.9338 -89.8804 -15.3087 -202.969 -15.3098 74.6635 GPRESSURE: 3940800 215.902 9.1829 -246.84 -97.0604 -33.4351 -14.3938 -279.595 15.8828 74.9485 PRESSAVG: 3940800 13.1265 -72.9138 19.1479 -72.9138 10.1712 -1.3635 19.1479 -1.36349 3.30948 GPRESSAVG: 3940800 12.6681 -73.1025 18.8053 -76.3013 9.71659 -1.68048 18.6547 -3.5528 3.01723 TIMING: 3940800 CPU: 12461.2, 0.00315075/step Wall: 12461.2, 0.00315075/step, 0.927021 hours remaining, 237.332031 MB of memory in use. ENERGY: 3940800 3986.5594 20587.3002 14425.6291 261.0673 -203381.5918 2697.3045 0.0000 0.0000 52358.3281 -109065.4032 300.9040 -161423.7313 -108703.7052 300.0286 62.2612 85.8052 760874.0067 8.8691 8.4673 PRESSURE: 3941000 -170.434 -170.101 -45.4029 -170.101 -575.767 136.695 -45.4033 136.695 -32.1603 GPRESSURE: 3941000 -194.053 -231.531 -28.2402 -62.5484 -461.887 149.257 -108.134 131.66 -20.7789 PRESSAVG: 3941000 47.3241 -85.6539 -13.2015 -85.6538 -13.2072 8.80805 -13.2015 8.80804 -7.14203 GPRESSAVG: 3941000 46.3966 -85.8536 -13.0727 -83.7843 -12.6531 6.98237 -13.3217 9.2495 -6.26579 TIMING: 3941000 CPU: 12461.8, 0.00316897/step Wall: 12461.8, 0.00316897/step, 0.932206 hours remaining, 237.332031 MB of memory in use. ENERGY: 3941000 4073.1702 20742.3010 14471.1541 243.4458 -203101.0799 2346.9551 0.0000 0.0000 52070.9404 -109153.1133 299.2524 -161224.0537 -108792.6659 300.4145 -259.4538 -225.5731 759767.0734 8.9916 9.1592 PRESSURE: 3941200 42.8529 208.824 231.464 208.825 172.601 13.1796 231.464 13.1784 76.0895 GPRESSURE: 3941200 76.7707 176.996 192.196 162.143 203.569 66.8005 166.763 1.58423 70.4288 PRESSAVG: 3941200 3.0427 -19.72 2.64523 -19.7201 26.8541 0.118389 2.64521 0.118375 -13.0758 GPRESSAVG: 3941200 4.57148 -19.0664 2.01564 -20.0016 26.648 1.95738 2.56008 2.80887 -14.3707 TIMING: 3941200 CPU: 12462.5, 0.00314579/step Wall: 12462.5, 0.00314579/step, 0.925211 hours remaining, 237.332031 MB of memory in use. ENERGY: 3941200 4002.2913 20554.4304 14464.6223 261.5773 -203583.8568 2769.9982 0.0000 0.0000 52294.8049 -109236.1323 300.5390 -161530.9373 -108871.2915 300.4469 97.1811 116.9228 761986.4361 5.6070 5.6163 PRESSURE: 3941400 -426.161 -105.102 -180.252 -105.102 165.871 128.721 -180.252 128.721 478.388 GPRESSURE: 3941400 -335.799 77.5611 -243.661 14.3616 217.276 134.027 -284.03 203.33 412.635 PRESSAVG: 3941400 -53.4569 -39.0401 -25.3818 -39.0401 73.3829 12.2602 -25.3819 12.2601 -0.863914 GPRESSAVG: 3941400 -53.655 -37.9246 -25.4166 -39.8306 72.1447 10.8274 -25.4431 13.3013 0.184465 TIMING: 3941400 CPU: 12463.1, 0.00319258/step Wall: 12463.1, 0.00319258/step, 0.938795 hours remaining, 237.332031 MB of memory in use. ENERGY: 3941400 4018.8535 20614.6674 14471.2023 239.7050 -202943.0877 2217.2488 0.0000 0.0000 52206.0745 -109175.3362 300.0290 -161381.4107 -108811.1315 300.0704 72.6993 98.0374 762362.2211 6.3540 6.2247 PRESSURE: 3941600 -213.615 -169.538 138.874 -169.538 123.618 -140.118 138.874 -140.118 -204.283 GPRESSURE: 3941600 -113.181 -180.674 138.176 -3.45153 149.605 -196.397 158.341 -56.7382 -256.579 PRESSAVG: 3941600 -64.7258 -82.2046 -16.514 -82.2046 58.0858 22.365 -16.514 22.365 -8.13547 GPRESSAVG: 3941600 -63.8517 -84.0117 -16.3112 -79.0657 57.7678 22.7646 -17.0368 19.8559 -8.79245 TIMING: 3941600 CPU: 12463.7, 0.00317238/step Wall: 12463.7, 0.00317238/step, 0.932679 hours remaining, 237.332031 MB of memory in use. ENERGY: 3941600 3977.0087 20522.0114 14481.2841 265.0870 -203378.8740 2748.8444 0.0000 0.0000 52298.1167 -109086.5217 300.5580 -161384.6385 -108725.3361 299.7940 -98.0933 -73.3853 761959.3252 -4.9252 -4.9588 PRESSURE: 3941800 -95.4312 -194.115 112.051 -194.115 195.095 -5.37959 112.051 -5.3813 135.179 GPRESSURE: 3941800 -55.0905 -163.812 3.48299 -125.276 219.992 48.2839 293.85 -60.9042 149.516 PRESSAVG: 3941800 -31.0865 -57.1694 -16.9488 -57.1693 55.5249 47.6101 -16.9488 47.61 13.8556 GPRESSAVG: 3941800 -32.527 -55.9035 -17.3155 -58.5727 55.4766 46.8864 -16.1563 47.7224 15.0492 TIMING: 3941800 CPU: 12464.4, 0.00316081/step Wall: 12464.4, 0.00316081/step, 0.929102 hours remaining, 237.332031 MB of memory in use. ENERGY: 3941800 3979.3486 20681.7999 14523.1157 263.3584 -203247.8035 2627.9635 0.0000 0.0000 52070.7371 -109101.4803 299.2512 -161172.2174 -108732.9659 300.1825 78.2810 104.8058 761129.7890 12.7647 12.6663 PRESSURE: 3942000 186.274 -38.5336 -138.666 -38.5331 210.696 -5.35315 -138.666 -5.35277 4.44817 GPRESSURE: 3942000 194.407 51.0519 -210.962 2.01746 211.516 12.7844 -101.991 70.7808 61.9451 PRESSAVG: 3942000 34.6117 -36.1489 7.1726 -36.1488 -33.6702 -28.0358 7.17269 -28.0358 6.28108 GPRESSAVG: 3942000 34.4719 -35.7999 7.45479 -37.9307 -32.3307 -27.5585 6.76625 -25.9837 5.38231 TIMING: 3942000 CPU: 12465, 0.00317202/step Wall: 12465, 0.00317202/step, 0.932221 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3942000 3990.4955 20625.9255 14550.7871 247.4445 -203207.9816 2407.2875 0.0000 0.0000 52080.1805 -109305.8608 299.3055 -161386.0414 -108945.1097 299.7014 133.8062 155.9562 762082.6694 2.4075 2.5078 PRESSURE: 3942200 118.502 -20.0257 -147.561 -20.0265 424.809 157.054 -147.562 157.054 222.29 GPRESSURE: 3942200 197.713 -86.3556 -86.16 -15.7575 421.381 211.994 -143.965 198.597 254.005 PRESSAVG: 3942200 1.60964 -5.76574 19.8757 -5.76581 -13.0409 -4.36594 19.8757 -4.36604 17.1236 GPRESSAVG: 3942200 2.65415 -8.22793 19.5186 -3.27809 -13.5623 -3.90421 20.363 -6.28311 16.7604 TIMING: 3942200 CPU: 12465.6, 0.00314041/step Wall: 12465.6, 0.00314041/step, 0.922757 hours remaining, 237.332031 MB of memory in use. ENERGY: 3942200 4023.9165 20504.9271 14461.3911 248.1787 -203439.4448 2807.7751 0.0000 0.0000 52236.3358 -109156.9206 300.2029 -161393.2563 -108802.7282 299.4333 255.2003 291.0329 761119.4026 1.8975 1.9507 PRESSURE: 3942400 311.22 264.027 229.935 264.027 192.1 -122.71 229.935 -122.711 -27.1993 GPRESSURE: 3942400 244 71.9289 230.429 271.613 319.435 -109.409 129.329 -42.2802 25.3212 PRESSAVG: 3942400 11.8295 -26.2081 -30.0659 -26.2081 9.76561 13.0537 -30.0659 13.0538 -0.991251 GPRESSAVG: 3942400 11.6006 -26.0045 -28.6589 -28.8274 9.51027 13.3721 -32.1935 13.479 0.0602791 TIMING: 3942400 CPU: 12466.3, 0.00316168/step Wall: 12466.3, 0.00316168/step, 0.928831 hours remaining, 237.332031 MB of memory in use. ENERGY: 3942400 4076.6647 20584.1450 14587.7372 242.0375 -203482.2170 2711.1869 0.0000 0.0000 52209.1050 -109071.3407 300.0464 -161280.4457 -108704.5161 299.9510 158.7068 196.2520 759703.7235 6.8680 7.0571 PRESSURE: 3942600 385.605 -106.971 -269.422 -106.972 479.302 -72.6565 -269.421 -72.6557 329.374 GPRESSURE: 3942600 425.431 -169.224 -135.939 -115.048 505.72 -145.38 -57.7026 -126.138 354.819 PRESSAVG: 3942600 -5.87797 19.2325 -42.4966 19.2324 43.8853 26.8385 -42.4966 26.8385 -1.22713 GPRESSAVG: 3942600 -6.48052 18.9624 -42.5443 21.669 44.8348 25.4944 -39.9705 27.4098 -1.25799 TIMING: 3942600 CPU: 12466.9, 0.00313956/step Wall: 12466.9, 0.00313956/step, 0.922159 hours remaining, 237.332031 MB of memory in use. ENERGY: 3942600 3961.0065 20700.3048 14496.1516 264.5932 -203612.5205 2692.6871 0.0000 0.0000 52335.8802 -109161.8971 300.7750 -161497.7773 -108799.3443 299.9167 398.0939 428.6566 760813.2071 12.2601 12.3654 PRESSURE: 3942800 -238.671 289.563 -1.42993 289.562 73.6618 193.989 -1.42999 193.988 -63.4936 GPRESSURE: 3942800 -212.931 297.256 2.04317 268.771 144.689 84.8731 -26.0257 47.5154 -64.1496 PRESSAVG: 3942800 40.5278 10.0497 -1.4715 10.0498 -26.9689 112.906 -1.47146 112.906 11.3668 GPRESSAVG: 3942800 40.7814 11.6791 -1.38435 7.50755 -27.7181 112.789 -0.754552 111.047 11.4369 TIMING: 3942800 CPU: 12467.5, 0.00313608/step Wall: 12467.5, 0.00313608/step, 0.920961 hours remaining, 237.332031 MB of memory in use. ENERGY: 3942800 3954.5389 20568.1768 14537.7273 242.6865 -203488.0084 2520.5002 0.0000 0.0000 52186.9527 -109477.4259 299.9191 -161664.3786 -109113.5261 299.7122 -76.1675 -44.1303 759949.0522 8.3086 8.1668 PRESSURE: 3943000 -206.627 -42.278 -173.034 -42.278 101.732 -34.4525 -173.035 -34.4518 -51.686 GPRESSURE: 3943000 -181.726 -102.153 -74.4183 -83.814 171.76 -70.6593 -255.725 131.071 -70.3149 PRESSAVG: 3943000 10.2967 -26.988 -4.76772 -26.988 43.0775 31.7962 -4.76775 31.7961 -1.14602 GPRESSAVG: 3943000 9.59479 -29.3641 -3.75865 -23.1749 43.6341 32.3586 -7.94037 33.2893 -1.3584 TIMING: 3943000 CPU: 12468.2, 0.00314607/step Wall: 12468.2, 0.00314607/step, 0.923722 hours remaining, 237.332031 MB of memory in use. ENERGY: 3943000 3929.7003 20477.9901 14542.9719 241.8961 -203512.9167 2656.6451 0.0000 0.0000 52014.5197 -109649.1934 298.9282 -161663.7132 -109290.4096 299.0786 -52.1939 -26.7603 759740.9438 17.4094 17.2902 PRESSURE: 3943200 -77.5805 -175.58 21.8668 -175.58 338 -108.506 21.867 -108.507 507.694 GPRESSURE: 3943200 36.3829 -149.126 37.23 -169.444 357.953 -118.185 -14.9408 -107.443 460.773 PRESSAVG: 3943200 -34.4035 -20.4202 13.0571 -20.4202 -5.46158 40.8564 13.057 40.8564 19.5277 GPRESSAVG: 3943200 -32.8728 -20.9438 9.55664 -24.3298 -5.92757 40.929 14.2878 39.4639 18.2269 TIMING: 3943200 CPU: 12468.8, 0.00313268/step Wall: 12468.8, 0.00313268/step, 0.919615 hours remaining, 237.332031 MB of memory in use. ENERGY: 3943200 3891.9544 20557.6019 14421.7793 239.1627 -203296.3262 2414.3496 0.0000 0.0000 52147.6379 -109623.8404 299.6932 -161771.4783 -109268.5671 299.1023 256.0380 285.0363 759494.4746 -6.7791 -6.8578 PRESSURE: 3943400 461.797 -269.726 -119.045 -269.725 -34.4973 235.033 -119.045 235.033 245.645 GPRESSURE: 3943400 487.304 -75.1611 -85.1123 -206.616 24.7495 218.084 -75.3301 292.215 233.795 PRESSAVG: 3943400 22.9927 -14.5 -5.96087 -14.5 -14.7398 25.834 -5.96089 25.834 -0.811301 GPRESSAVG: 3943400 21.9942 -11.8091 -3.70315 -12.3906 -14.2462 26.7666 -6.89619 25.2579 -0.664477 TIMING: 3943400 CPU: 12469.4, 0.00313571/step Wall: 12469.4, 0.00313571/step, 0.920332 hours remaining, 237.332031 MB of memory in use. ENERGY: 3943400 3877.5462 20506.4984 14532.3454 243.7532 -203693.5488 2769.7346 0.0000 0.0000 51990.8805 -109772.7905 298.7923 -161763.6710 -109400.4267 298.7167 224.3146 248.6161 759237.8580 2.4805 2.3612 PRESSURE: 3943600 -181.867 27.82 -106.042 27.8187 386.467 -4.9404 -106.042 -4.94041 208.483 GPRESSURE: 3943600 -63.4757 51.1387 15.3635 -24.8418 312.45 -23.8874 -135.275 -161.834 229.771 PRESSAVG: 3943600 -24.9675 -8.19527 -16.7136 -8.19524 -9.77775 28.4448 -16.7136 28.4448 -12.8327 GPRESSAVG: 3943600 -24.741 -11.2859 -16.2268 -6.35378 -9.93042 25.8707 -20.0139 29.385 -13.415 TIMING: 3943600 CPU: 12470, 0.00313814/step Wall: 12470, 0.00313814/step, 0.920868 hours remaining, 237.332031 MB of memory in use. ENERGY: 3943600 3888.4915 20548.1746 14458.8790 261.5736 -203535.6562 2674.8919 0.0000 0.0000 52097.7013 -109605.9444 299.4062 -161703.6457 -109237.1359 298.7052 137.6943 159.5817 761770.9728 -15.8593 -16.0288 PRESSURE: 3943800 197.135 131.233 67.5256 131.234 113.469 40.5187 67.5254 40.5184 227.515 GPRESSURE: 3943800 177.621 5.65767 25.5761 219.208 206.418 67.8387 39.1253 68.4309 236.597 PRESSAVG: 3943800 -33.8481 -5.75873 -51.6114 -5.75871 14.8663 19.9419 -51.6115 19.942 7.63376 GPRESSAVG: 3943800 -33.6943 -3.88372 -52.1227 -8.88943 14.6469 21.7279 -48.1381 20.2035 7.56205 TIMING: 3943800 CPU: 12470.7, 0.00314014/step Wall: 12470.7, 0.00314014/step, 0.921281 hours remaining, 237.332031 MB of memory in use. ENERGY: 3943800 4032.1475 20369.8782 14477.3546 235.6448 -203356.8269 2740.4048 0.0000 0.0000 52089.3604 -109412.0367 299.3583 -161501.3971 -109049.6648 298.7890 179.3727 206.8790 760753.1590 -3.7827 -3.8285 PRESSURE: 3944000 33.8438 51.9791 277.175 51.9799 45.9226 -67.937 277.175 -67.9367 -419.148 GPRESSURE: 3944000 -3.84522 58.2912 267.642 -55.4437 162.015 -78.4389 319.863 -54.284 -407.98 PRESSAVG: 3944000 -0.445136 0.654461 -18.0288 0.654453 1.46343 -13.9329 -18.0288 -13.9329 3.24798 GPRESSAVG: 3944000 -2.18566 2.66161 -17.0552 0.252332 1.65439 -13.5793 -18.7503 -12.5742 5.18486 TIMING: 3944000 CPU: 12471.3, 0.00314224/step Wall: 12471.3, 0.00314224/step, 0.921724 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3944000 3948.0466 20375.3116 14462.8047 248.5788 -203343.0025 2604.5172 0.0000 0.0000 52305.8681 -109397.8756 300.6025 -161703.7436 -109035.2318 299.4400 -113.1272 -83.2700 762269.6265 1.4221 1.5512 PRESSURE: 3944200 -234.234 -51.9036 -15.088 -51.9035 9.46957 75.6345 -15.089 75.6334 -155.684 GPRESSURE: 3944200 -152.461 -53.2643 -11.514 -42.6688 -42.5112 69.5046 133.335 45.6817 -96.1841 PRESSAVG: 3944200 18.2273 -38.1111 11.9887 -38.1111 28.5081 -21.068 11.9886 -21.0679 1.37626 GPRESSAVG: 3944200 20.0377 -40.7416 9.90727 -36.4963 27.7286 -20.9298 13.9604 -24.0471 0.0132994 TIMING: 3944200 CPU: 12471.9, 0.00315866/step Wall: 12471.9, 0.00315866/step, 0.926364 hours remaining, 237.332031 MB of memory in use. ENERGY: 3944200 4049.8086 20612.3971 14484.5782 256.4846 -203333.1316 2575.8773 0.0000 0.0000 52158.2534 -109195.7324 299.7542 -161353.9858 -108830.0996 299.5266 -126.8162 -97.0523 762031.5648 16.0372 15.9265 LDB: ============= START OF LOAD BALANCING ============== 12484.3 LDB: ============== END OF LOAD BALANCING =============== 12484.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12484.3 LDB: ============= START OF LOAD BALANCING ============== 12484.6 LDB: Largest compute 7068 load 0.033920 is 17.3% of average load 0.196133 LDB: Average compute 0.004370 is 2.2% of average load 0.196133 LDB: TIME 12484.6 LOAD: AVG 0.196133 MAX 0.217437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 12484.6 LOAD: AVG 0.196133 MAX 0.217437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 12484.6 LOAD: AVG 0.196133 MAX 0.217437 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 12484.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12484.6 PRESSURE: 3944400 -8.75441 -50.8941 101.938 -50.8933 -295.601 87.0633 101.938 87.0639 235.107 GPRESSURE: 3944400 55.0842 -55.3528 127.173 -97.1805 -261.407 90.7089 29.3087 56.326 216.968 PRESSAVG: 3944400 -5.23688 -32.1678 32.328 -32.1679 -14.6406 45.6367 32.328 45.6366 -12.8404 GPRESSAVG: 3944400 -4.98155 -30.1423 34.326 -33.3682 -14.7032 45.007 31.2078 45.6157 -12.9665 TIMING: 3944400 CPU: 12472.6, 0.00319112/step Wall: 12472.6, 0.00319112/step, 0.935708 hours remaining, 238.355469 MB of memory in use. ENERGY: 3944400 4046.2769 20476.2533 14464.6812 245.5040 -203277.0459 2524.3220 0.0000 0.0000 52352.1148 -109167.8937 300.8683 -161520.0085 -108807.6036 300.0748 -23.0827 3.5483 759889.2195 -10.9060 -10.8837 PRESSURE: 3944600 288.933 -135.268 158.838 -135.267 102.28 77.5689 158.836 77.569 -237.333 GPRESSURE: 3944600 253.85 -109.555 221.554 -128.461 124.14 46.8464 171.578 74.7797 -131.455 PRESSAVG: 3944600 -1.2297 -37.9163 -16.3702 -37.9163 -13.5204 54.0401 -16.3702 54.0401 17.5251 GPRESSAVG: 3944600 -2.75417 -38.7615 -17.7826 -37.238 -12.5151 51.8721 -16.8013 55.8931 17.5041 TIMING: 3944600 CPU: 12473.2, 0.00315/step Wall: 12473.2, 0.00315/step, 0.923475 hours remaining, 238.558594 MB of memory in use. ENERGY: 3944600 4049.4240 20554.7442 14436.8197 251.5312 -202897.8649 2382.4951 0.0000 0.0000 52076.2703 -109146.5803 299.2830 -161222.8506 -108786.3658 300.4032 51.2936 82.1781 761216.2117 0.9250 0.7449 PRESSURE: 3944800 -17.1553 -354.396 93.355 -354.396 138.321 -67.623 93.355 -67.623 158.486 GPRESSURE: 3944800 -40.7929 -303.658 119.927 -353.446 232.969 -64.8526 164.073 -60.7067 170.322 PRESSAVG: 3944800 -22.4854 -47.7184 -20.1679 -47.7185 51.27 -34.1493 -20.168 -34.1493 12.6988 GPRESSAVG: 3944800 -22.9195 -46.7392 -22.0025 -50.1511 52.131 -33.4967 -19.7006 -32.6841 11.7835 TIMING: 3944800 CPU: 12473.8, 0.00313886/step Wall: 12473.8, 0.00313886/step, 0.920036 hours remaining, 238.558594 MB of memory in use. ENERGY: 3944800 3960.5246 20458.2017 14462.4823 248.0025 -202681.9148 2394.6063 0.0000 0.0000 52150.4688 -109007.6285 299.7095 -161158.0973 -108637.0195 299.7698 93.2172 120.8327 761367.2369 13.8278 13.6650 PRESSURE: 3945000 -183.148 145.548 -130.944 145.547 -30.6217 -220.44 -130.944 -220.441 -287.037 GPRESSURE: 3945000 -89.0845 40.6228 -86.6001 102.579 -89.9314 -29.8621 -0.419749 -260.672 -260.328 PRESSAVG: 3945000 -14.2979 -69.7035 42.0899 -69.7034 3.60381 -25.2264 42.0899 -25.2264 17.9098 GPRESSAVG: 3945000 -13.195 -72.5558 44.5254 -69.3763 3.04476 -25.4197 42.1372 -25.9765 17.5251 TIMING: 3945000 CPU: 12474.5, 0.00315169/step Wall: 12474.5, 0.00315169/step, 0.92362 hours remaining, 238.558594 MB of memory in use. ENERGY: 3945000 4019.3207 20558.5310 14473.7022 260.8220 -202776.1516 2221.1337 0.0000 0.0000 52145.0823 -109097.5597 299.6785 -161242.6421 -108733.3770 300.3058 -166.9356 -146.4481 762548.4667 2.4052 2.4583 PRESSURE: 3945200 -251.619 35.4792 -0.884897 35.4783 -32.7028 2.11029 -0.885749 2.10989 -190.449 GPRESSURE: 3945200 -112.449 -39.7828 -67.0978 45.1616 -41.8636 -16.1497 -46.0805 60.9189 -234.27 PRESSAVG: 3945200 56.7118 -32.9386 12.9271 -32.9386 -1.66547 -37.7117 12.9272 -37.7117 1.13984 GPRESSAVG: 3945200 57.3227 -31.5598 11.808 -31.4035 -3.63505 -36.1179 13.1899 -38.5853 2.08265 TIMING: 3945200 CPU: 12475.1, 0.00314205/step Wall: 12475.1, 0.00314205/step, 0.920622 hours remaining, 238.558594 MB of memory in use. ENERGY: 3945200 4036.2567 20427.5904 14507.9371 254.7254 -202750.4760 2477.3369 0.0000 0.0000 52181.1195 -108865.5101 299.8856 -161046.6296 -108502.2063 300.2106 -158.2569 -129.5274 762405.7446 18.7287 18.5901 PRESSURE: 3945400 119.171 -20.8653 53.962 -20.8644 -57.0999 -54.1286 53.9624 -54.1307 69.0161 GPRESSURE: 3945400 124.942 -11.6406 84.0038 -41.5655 57.676 -48.276 39.1269 -48.5673 23.5495 PRESSAVG: 3945400 9.58149 -42.4733 28.176 -42.4733 21.1334 18.7556 28.176 18.7556 17.3672 GPRESSAVG: 3945400 9.51631 -40.8016 29.4455 -42.9541 20.9612 18.8795 26.6186 17.5353 17.4719 TIMING: 3945400 CPU: 12475.7, 0.00316267/step Wall: 12475.7, 0.00316267/step, 0.926487 hours remaining, 238.558594 MB of memory in use. ENERGY: 3945400 4032.4680 20495.4017 14532.3575 249.7974 -202950.7604 2533.0611 0.0000 0.0000 52181.6277 -108926.0470 299.8885 -161107.6747 -108557.8560 300.1396 43.6957 68.7226 761889.8532 16.0274 15.9831 PRESSURE: 3945600 12.4388 -208.147 -88.7223 -208.148 -180.012 -27.3916 -88.7219 -27.3919 -251.242 GPRESSURE: 3945600 84.7841 -162.879 18.5577 -224.137 -160.804 -96.2646 -2.09191 25.6122 -265.566 PRESSAVG: 3945600 29.534 -54.1626 -15.1344 -54.1625 -20.8945 8.15139 -15.1344 8.15139 -2.66791 GPRESSAVG: 3945600 29.5701 -54.5351 -14.7858 -52.7835 -19.7627 7.45512 -14.5495 9.61724 -3.36356 TIMING: 3945600 CPU: 12476.4, 0.00318372/step Wall: 12476.4, 0.00318372/step, 0.932476 hours remaining, 238.558594 MB of memory in use. ENERGY: 3945600 3983.1126 20583.0875 14553.3668 248.9783 -202955.0872 2448.6894 0.0000 0.0000 52373.6169 -108764.2358 300.9919 -161137.8528 -108397.2470 300.3435 -139.6051 -113.8621 763179.6951 1.9905 2.1480 PRESSURE: 3945800 382.76 88.3856 297.178 88.3863 -144.454 99.9548 297.178 99.9546 94.882 GPRESSURE: 3945800 290.489 72.2657 251.702 -42.6229 4.56868 89.2025 300.008 133.332 117.454 PRESSAVG: 3945800 -27.4185 -50.4777 -2.88878 -50.4776 67.6278 51.5559 -2.88879 51.5559 11.7445 GPRESSAVG: 3945800 -27.8716 -49.6757 -2.36141 -51.7776 68.0619 52.507 -2.80584 51.1222 11.2461 TIMING: 3945800 CPU: 12477, 0.00316642/step Wall: 12477, 0.00316642/step, 0.927232 hours remaining, 238.558594 MB of memory in use. ENERGY: 3945800 4018.8142 20506.3193 14506.8927 233.2750 -203421.3193 2780.7265 0.0000 0.0000 52609.6054 -108765.6861 302.3481 -161375.2915 -108395.7721 300.8310 111.0630 137.5039 760884.1786 17.3179 17.1455 PRESSURE: 3946000 234.725 -84.126 -47.0673 -84.1254 -154.357 169.06 -47.0677 169.06 114.046 GPRESSURE: 3946000 194.21 -20.7208 -12.1322 -52.672 -28.0432 234.921 19.2383 183.487 101.842 PRESSAVG: 3946000 27.6228 6.14757 0.461256 6.14757 18.6355 -7.95559 0.461272 -7.95553 2.2457 GPRESSAVG: 3946000 26.5773 5.36183 -2.35524 7.59296 18.8743 -9.77984 3.24432 -5.84757 3.36809 TIMING: 3946000 CPU: 12477.6, 0.00316499/step Wall: 12477.6, 0.00316499/step, 0.926637 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3946000 3973.4346 20564.9044 14493.1998 249.2850 -202954.8639 2450.0079 0.0000 0.0000 52270.1894 -108953.8427 300.3975 -161224.0321 -108592.3702 300.4448 64.8047 89.3364 761892.8858 16.1680 16.2732 PRESSURE: 3946200 110.131 0.7177 -108.332 0.718441 59.5781 -13.9703 -108.331 -13.9701 111.475 GPRESSURE: 3946200 23.4216 -21.0378 -57.3053 -28.8501 154.9 70.1576 -94.3319 9.91475 202.214 PRESSAVG: 3946200 -20.2782 21.3521 30.9712 21.3521 17.0365 4.11468 30.9712 4.11477 20.295 GPRESSAVG: 3946200 -20.0744 21.341 33.0982 19.3977 17.0711 5.55783 28.9871 2.11483 19.9771 TIMING: 3946200 CPU: 12478.2, 0.00315974/step Wall: 12478.2, 0.00315974/step, 0.924925 hours remaining, 238.558594 MB of memory in use. ENERGY: 3946200 4017.0426 20524.1343 14521.9506 253.0533 -203139.6195 2543.4964 0.0000 0.0000 52328.0583 -108951.8839 300.7301 -161279.9423 -108601.1100 299.8780 93.7278 126.8451 761829.7572 5.6844 5.6579 PRESSURE: 3946400 -308.245 -21.508 -94.9818 -21.5074 -149.981 -105.882 -94.9814 -105.883 -272.012 GPRESSURE: 3946400 -164.043 -80.4831 -65.2478 17.822 -212.984 -149.699 -127.531 -133.042 -276.785 PRESSAVG: 3946400 -17.9745 -3.7115 -13.8065 -3.71152 21.7792 -42.7718 -13.8064 -42.7717 13.9189 GPRESSAVG: 3946400 -16.3502 -1.07429 -15.2014 -3.2368 19.8364 -45.0535 -12.6624 -41.6428 14.5668 TIMING: 3946400 CPU: 12478.9, 0.00315139/step Wall: 12478.9, 0.00315139/step, 0.922307 hours remaining, 238.558594 MB of memory in use. ENERGY: 3946400 4036.9446 20472.5224 14495.4540 262.8941 -202932.9737 2325.1601 0.0000 0.0000 52405.9047 -108934.0937 301.1775 -161339.9984 -108569.0537 300.0471 -243.4127 -217.9376 762213.7352 5.9079 6.0176 PRESSURE: 3946600 125.054 156.343 209.14 156.343 118.999 15.4751 209.14 15.4758 -263.238 GPRESSURE: 3946600 116.015 103.125 216.661 122.515 144.409 48.7742 40.4946 -121.163 -194.094 PRESSAVG: 3946600 -77.0597 0.884229 28.2959 0.884174 29.5993 -74.4353 28.2958 -74.4353 25.1374 GPRESSAVG: 3946600 -79.8315 -3.29186 28.401 1.78477 30.9768 -72.7539 28.1979 -74.8885 26.1385 TIMING: 3946600 CPU: 12479.5, 0.00317609/step Wall: 12479.5, 0.00317609/step, 0.929359 hours remaining, 238.558594 MB of memory in use. ENERGY: 3946600 4095.2791 20474.3674 14544.3550 240.0690 -202859.9871 2410.7197 0.0000 0.0000 51970.2912 -109124.9058 298.6740 -161095.1970 -108766.8605 300.0892 -6.3949 22.1101 763480.4617 -7.4410 -7.5721 PRESSURE: 3946800 -317.231 1.31872 -139.39 1.31863 51.7574 14.7239 -139.39 14.7231 -5.35273 GPRESSURE: 3946800 -222.263 127.626 -106.038 -119.306 5.7977 58.29 -62.7788 37.5102 -2.10793 PRESSAVG: 3946800 -27.3465 8.8211 5.93292 8.82111 45.6011 -0.629751 5.93288 -0.629719 24.6733 GPRESSAVG: 3946800 -25.7489 11.0618 6.49636 8.14897 45.3528 -1.30653 5.07524 -1.80031 23.3258 TIMING: 3946800 CPU: 12480.1, 0.00316438/step Wall: 12480.1, 0.00316438/step, 0.925757 hours remaining, 238.558594 MB of memory in use. ENERGY: 3946800 3994.4245 20579.9955 14543.8691 216.5076 -203215.1094 2721.3451 0.0000 0.0000 51974.6549 -109184.3127 298.6991 -161158.9676 -108812.8369 299.6292 -90.2754 -72.8577 762661.1595 14.3093 14.3099 PRESSURE: 3947000 428.263 -88.6317 157.332 -88.6313 105.867 -165.265 157.332 -165.264 -330.795 GPRESSURE: 3947000 355.696 46.909 132.996 -126.918 169.663 -74.7408 328.994 -169.134 -227.997 PRESSAVG: 3947000 29.9463 -52.8174 13.5169 -52.8174 29.2098 -10.9361 13.5169 -10.936 -3.53786 GPRESSAVG: 3947000 29.0362 -52.4945 12.8837 -51.9806 29.0607 -10.8582 13.6134 -8.49548 -2.52906 TIMING: 3947000 CPU: 12480.8, 0.00315313/step Wall: 12480.8, 0.00315313/step, 0.92229 hours remaining, 238.558594 MB of memory in use. ENERGY: 3947000 3959.6046 20660.6314 14497.0058 258.0556 -203035.7412 2553.5920 0.0000 0.0000 52092.7181 -109014.1338 299.3776 -161106.8518 -108649.1595 299.4974 67.7782 99.1207 763156.5079 18.5394 18.5226 PRESSURE: 3947200 114.397 -51.6895 56.7705 -51.6888 247.351 -39.1543 56.7706 -39.1544 178.729 GPRESSURE: 3947200 154.685 -54.9975 58.7453 5.3058 295.011 34.7449 88.2366 -169.93 180.853 PRESSAVG: 3947200 34.0218 9.02208 -20.2548 9.02216 4.19284 2.73165 -20.2549 2.73174 0.0175393 GPRESSAVG: 3947200 35.3821 7.74992 -19.4527 8.53317 3.66415 2.30321 -20.849 1.93631 -0.915344 TIMING: 3947200 CPU: 12481.4, 0.00315293/step Wall: 12481.4, 0.00315293/step, 0.922057 hours remaining, 238.558594 MB of memory in use. ENERGY: 3947200 3935.9672 20480.7366 14449.8814 265.5264 -203713.2805 2993.9964 0.0000 0.0000 52517.1322 -109070.0404 301.8167 -161587.1725 -108706.2843 300.1923 180.1590 210.1830 762200.6059 12.7441 12.7103 PRESSURE: 3947400 -8.64468 388.034 55.0496 388.035 -44.7099 -360.385 55.0488 -360.385 423.985 GPRESSURE: 3947400 19.6685 265.904 21.3666 301.178 112.115 -297.469 98.7937 -346.863 338.46 PRESSAVG: 3947400 24.6267 28.8254 51.0387 28.8254 -48.5532 -30.5658 51.0387 -30.5658 -10.5626 GPRESSAVG: 3947400 24.0925 28.0523 50.1551 29.6326 -47.114 -29.4918 51.7049 -30.3648 -11.3914 TIMING: 3947400 CPU: 12482, 0.00316872/step Wall: 12482, 0.00316872/step, 0.926499 hours remaining, 238.558594 MB of memory in use. ENERGY: 3947400 3977.4913 20557.3843 14511.3688 243.3797 -203276.5662 2663.5200 0.0000 0.0000 52064.0274 -109259.3947 299.2127 -161323.4221 -108899.6656 300.0003 123.5434 156.7478 762140.7123 -11.4963 -11.4710 PRESSURE: 3947600 9.93227 235.379 261.783 235.379 84.1632 -70.1922 261.783 -70.1926 -266.211 GPRESSURE: 3947600 13.6428 93.5314 202.419 211.003 137.082 -56.6398 284.73 -36.3239 -228.499 PRESSAVG: 3947600 -19.7864 4.46623 10.1171 4.46622 26.8526 14.3989 10.1171 14.399 -8.69655 GPRESSAVG: 3947600 -20.9455 4.46958 10.2193 2.30935 27.0039 13.0902 10.6954 13.6311 -8.03777 TIMING: 3947600 CPU: 12482.7, 0.00316176/step Wall: 12482.7, 0.00316176/step, 0.924288 hours remaining, 238.558594 MB of memory in use. ENERGY: 3947600 3972.1470 20511.3944 14489.8720 244.9550 -202566.8166 2228.0463 0.0000 0.0000 51916.7843 -109203.6176 298.3665 -161120.4019 -108837.2700 299.0619 -57.3719 -25.9248 762433.7750 -0.5434 -0.6598 PRESSURE: 3947800 -14.4494 -157.766 90.9333 -157.766 101.321 207.692 90.933 207.693 -117.381 GPRESSURE: 3947800 8.36608 -81.8315 104.77 -178.772 110.911 157.349 -5.90785 124.737 -56.835 PRESSAVG: 3947800 13.9707 -34.1963 76.3133 -34.1963 -9.66625 13.5126 76.3133 13.5126 9.21455 GPRESSAVG: 3947800 15.5433 -33.6644 77.1418 -33.9921 -11.5984 13.802 74.1118 14.0476 9.36189 TIMING: 3947800 CPU: 12483.3, 0.00312357/step Wall: 12483.3, 0.00312357/step, 0.912951 hours remaining, 238.558594 MB of memory in use. ENERGY: 3947800 4000.3745 20484.9813 14507.8798 241.0423 -203127.6145 2487.6197 0.0000 0.0000 52050.0103 -109355.7065 299.1321 -161405.7168 -108991.6352 299.4063 -10.1698 20.8140 762511.4318 4.5063 4.4356 PRESSURE: 3948000 31.6614 63.9276 -235.05 63.927 154.739 117.924 -235.049 117.923 691.568 GPRESSURE: 3948000 61.6395 60.5294 -340.857 -35.0331 255.348 136.755 -226.574 40.2267 655.903 PRESSAVG: 3948000 -43.3972 -39.6696 0.383275 -39.6695 37.8099 77.6527 0.383325 77.6527 -14.8763 GPRESSAVG: 3948000 -44.5372 -40.3134 0.42251 -39.7427 39.4712 77.1152 -0.326998 76.2205 -15.5713 TIMING: 3948000 CPU: 12483.9, 0.00314356/step Wall: 12483.9, 0.00314356/step, 0.918619 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3948000 3979.5436 20441.4405 14450.0471 241.4750 -203290.0295 2782.4021 0.0000 0.0000 51930.7344 -109464.3868 298.4466 -161395.1212 -109097.8143 298.8576 292.6561 324.2970 762364.2524 -6.8212 -6.8791 PRESSURE: 3948200 98.9804 -150.047 33.0761 -150.047 117.156 -224.042 33.0768 -224.041 351.88 GPRESSURE: 3948200 100.111 -136.914 69.1753 -250.993 239.933 -257.943 31.3806 -85.1848 304.206 PRESSAVG: 3948200 22.3405 -45.2589 53.9944 -45.2589 24.0412 6.95959 53.9944 6.95962 -4.62302 GPRESSAVG: 3948200 22.7732 -44.2858 53.6999 -44.4379 23.7591 6.73253 57.167 8.02022 -4.91548 TIMING: 3948200 CPU: 12484.6, 0.0031461/step Wall: 12484.6, 0.0031461/step, 0.919187 hours remaining, 238.558594 MB of memory in use. ENERGY: 3948200 3980.8659 20422.2189 14548.1435 260.3967 -203430.6811 2860.9685 0.0000 0.0000 51978.1074 -109379.9802 298.7189 -161358.0875 -109026.4603 299.0583 189.3386 214.7499 761026.5296 13.9196 13.8723 LDB: ============= START OF LOAD BALANCING ============== 12497 LDB: ============== END OF LOAD BALANCING =============== 12497 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12497 LDB: ============= START OF LOAD BALANCING ============== 12497.3 LDB: Largest compute 7033 load 0.033323 is 17.0% of average load 0.196081 LDB: Average compute 0.004397 is 2.2% of average load 0.196081 LDB: TIME 12497.3 LOAD: AVG 0.196081 MAX 0.216777 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 12497.3 LOAD: AVG 0.196081 MAX 0.216777 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 12497.3 LOAD: AVG 0.196081 MAX 0.216777 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 12497.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12497.3 PRESSURE: 3948400 411.278 -278.66 67.9361 -278.66 294.045 428.077 67.936 428.077 -243.872 GPRESSURE: 3948400 451.485 -318.309 57.0858 -243.682 335.096 371.489 180.423 387.657 -236.367 PRESSAVG: 3948400 34.3475 -111.068 -18.5957 -111.068 -11.4751 20.0584 -18.5957 20.0585 17.6684 GPRESSAVG: 3948400 34.8056 -111.861 -18.0229 -110.894 -13.4041 20.1387 -18.9902 20.297 18.7968 TIMING: 3948400 CPU: 12485.2, 0.00320543/step Wall: 12485.2, 0.00320543/step, 0.936342 hours remaining, 240.156250 MB of memory in use. ENERGY: 3948400 4007.6959 20596.0402 14488.8873 253.3311 -203505.4573 2624.4100 0.0000 0.0000 52201.8900 -109333.2028 300.0050 -161535.0928 -108978.1620 299.3248 153.8171 183.4046 760676.1113 13.5136 13.3994 PRESSURE: 3948600 -299.424 -68.5399 217.859 -68.5401 -321.616 6.91359 217.858 6.91291 -257.218 GPRESSURE: 3948600 -281.555 -24.5279 185.764 -77.4246 -272.307 -48.8241 84.4621 -2.09455 -245.762 PRESSAVG: 3948600 -21.7018 -70.9073 0.788668 -70.9072 24.573 26.3868 0.788663 26.3868 17.7602 GPRESSAVG: 3948600 -23.2302 -71.7411 0.373841 -69.6605 26.5234 27.9013 -0.391795 26.0888 16.587 TIMING: 3948600 CPU: 12485.8, 0.00314535/step Wall: 12485.8, 0.00314535/step, 0.918617 hours remaining, 240.156250 MB of memory in use. ENERGY: 3948600 3966.5629 20479.2275 14400.1190 263.5580 -203385.5189 2460.4183 0.0000 0.0000 52470.1179 -109345.5153 301.5465 -161815.6332 -108977.5522 299.7742 -292.7528 -266.5409 761958.7777 6.8771 6.6267 PRESSURE: 3948800 -71.3651 -10.6181 76.4063 -10.6188 -312.085 112.128 76.4061 112.127 91.3011 GPRESSURE: 3948800 -50.9198 64.6681 13.6167 -184.535 -249.529 161.66 -33.992 -41.9501 92.1981 PRESSAVG: 3948800 -41.5746 -68.61 -11.3052 -68.61 -3.54127 11.1473 -11.3052 11.1473 30.3013 GPRESSAVG: 3948800 -41.9438 -65.8913 -12.5368 -71.5832 -4.36572 9.08156 -11.7314 12.152 31.2198 TIMING: 3948800 CPU: 12486.5, 0.00315626/step Wall: 12486.5, 0.00315626/step, 0.921627 hours remaining, 240.156250 MB of memory in use. ENERGY: 3948800 4031.5174 20751.8170 14497.1413 246.5554 -203264.3476 2410.8912 0.0000 0.0000 51928.4826 -109397.9428 298.4337 -161326.4254 -109043.2684 299.6126 -97.3830 -69.4168 761581.1818 -4.9382 -5.0299 PRESSURE: 3949000 -34.7099 -9.83322 203.472 -9.83342 19.1565 54.6363 203.472 54.6365 464.242 GPRESSURE: 3949000 86.0089 -68.6218 289.259 0.473153 37.5861 79.2024 106.566 -28.2316 412.005 PRESSAVG: 3949000 2.88279 -67.6608 -13.9952 -67.6609 -4.57067 15.5423 -13.9952 15.5423 -18.8301 GPRESSAVG: 3949000 3.79872 -68.5093 -12.6161 -65.9236 -4.73001 16.4727 -13.8171 15.7741 -20.2084 TIMING: 3949000 CPU: 12487.1, 0.00316004/step Wall: 12487.1, 0.00316004/step, 0.922556 hours remaining, 240.156250 MB of memory in use. ENERGY: 3949000 3999.0844 20586.6796 14496.5231 244.2759 -203314.4283 2378.7391 0.0000 0.0000 52191.8676 -109417.2585 299.9474 -161609.1262 -109058.0899 299.8910 149.5629 178.5335 759375.4100 -6.8393 -7.0466 PRESSURE: 3949200 70.3673 -72.923 2.68972 -72.9232 141.068 -30.4841 2.69001 -30.4841 82.8111 GPRESSURE: 3949200 122.591 -26.561 -38.5817 -77.0918 184.595 36.3157 37.0716 -10.4377 80.8302 PRESSAVG: 3949200 -31.2502 -80.6505 15.7203 -80.6505 40.6416 60.5163 15.7202 60.5163 5.96452 GPRESSAVG: 3949200 -31.4302 -80.3255 15.8984 -81.8825 41.4047 59.6525 16.2904 59.9674 5.5678 TIMING: 3949200 CPU: 12487.7, 0.00316806/step Wall: 12487.7, 0.00316806/step, 0.924722 hours remaining, 240.156250 MB of memory in use. ENERGY: 3949200 4022.6400 20456.6523 14509.7115 253.2147 -203484.1543 2602.2046 0.0000 0.0000 52052.1338 -109587.5974 299.1443 -161639.7312 -109223.0112 299.6738 98.0820 129.3389 759858.1398 5.1187 5.1808 PRESSURE: 3949400 -62.7648 -78.4773 147.737 -78.4774 -220.335 -149.398 147.737 -149.398 -235.568 GPRESSURE: 3949400 -65.0753 -70.1746 221.365 -98.9803 -198.053 -194.033 170.43 -121.428 -154.602 PRESSAVG: 3949400 -4.27458 -89.8659 -3.5457 -89.8659 -25.3841 -15.6051 -3.54574 -15.605 32.2578 GPRESSAVG: 3949400 -4.83147 -89.868 -2.87533 -89.3237 -24.3887 -13.9764 -4.0637 -16.8602 31.6934 TIMING: 3949400 CPU: 12488.4, 0.00316339/step Wall: 12488.4, 0.00316339/step, 0.923181 hours remaining, 240.156250 MB of memory in use. ENERGY: 3949400 3990.3644 20497.9571 14481.1847 235.3167 -203624.9953 2635.2476 0.0000 0.0000 52175.1197 -109609.8051 299.8511 -161784.9248 -109245.6085 299.2895 -172.8892 -139.2434 760092.0779 0.8664 0.8244 PRESSURE: 3949600 -296.871 41.0831 -32.1158 41.0822 23.5768 48.454 -32.1151 48.4537 345.247 GPRESSURE: 3949600 -148.926 91.5546 -13.2248 88.3155 -5.55857 -64.8013 43.8245 -16.9796 316.163 PRESSAVG: 3949600 -20.2852 -76.733 -0.515362 -76.7329 -21.9869 -2.56012 -0.515308 -2.56012 -2.58313 GPRESSAVG: 3949600 -19.7778 -78.0781 -1.51226 -76.2461 -22.7111 -3.07371 0.480561 -2.89141 -1.84548 TIMING: 3949600 CPU: 12489, 0.00315487/step Wall: 12489, 0.00315487/step, 0.92052 hours remaining, 240.156250 MB of memory in use. ENERGY: 3949600 3900.6409 20551.1480 14508.2761 236.7947 -203609.4852 2507.5919 0.0000 0.0000 52119.5656 -109785.4681 299.5319 -161905.0337 -109410.1373 298.4853 23.9843 53.8927 758809.4570 -14.9517 -14.7781 PRESSURE: 3949800 266.306 5.17578 -108.773 5.17762 173.156 58.2357 -108.772 58.2345 -283.326 GPRESSURE: 3949800 220.996 9.12258 -119.863 103.117 155.834 63.2725 -203.993 10.8198 -136.838 PRESSAVG: 3949800 -34.2222 7.24862 15.3793 7.24865 43.1792 -52.3835 15.3793 -52.3836 6.57744 GPRESSAVG: 3949800 -34.0652 8.0817 15.9346 7.24425 41.6244 -52.0213 13.2818 -52.9696 8.12199 TIMING: 3949800 CPU: 12489.6, 0.00314294/step Wall: 12489.6, 0.00314294/step, 0.916866 hours remaining, 240.156250 MB of memory in use. ENERGY: 3949800 3946.8505 20567.6012 14470.6166 261.0686 -203727.3052 2664.5196 0.0000 0.0000 52013.5284 -109803.1204 298.9225 -161816.6487 -109441.4262 298.8284 52.0454 79.9976 759688.4480 5.1781 5.2271 PRESSURE: 3950000 139.684 178.496 -109.704 178.496 -374.116 -273.733 -109.704 -273.734 103.254 GPRESSURE: 3950000 92.6328 141.614 -109.173 103.386 -284.193 -178.001 66.8333 -336.858 129.141 PRESSAVG: 3950000 -30.7248 1.82799 26.1451 1.82791 -14.0789 17.7069 26.1452 17.7068 4.34485 GPRESSAVG: 3950000 -30.8313 2.67498 26.1529 -0.372126 -13.5787 17.5207 28.0381 19.0014 3.71228 TIMING: 3950000 CPU: 12490.2, 0.00316697/step Wall: 12490.2, 0.00316697/step, 0.923699 hours remaining, 240.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3950000 4021.4236 20501.3170 14447.1414 238.7711 -203895.0055 2763.1594 0.0000 0.0000 52140.3171 -109782.8759 299.6511 -161923.1930 -109426.1937 298.5349 -43.7262 -20.8062 760094.8564 -13.4863 -13.5659 PRESSURE: 3950200 62.7632 -4.38813 24.1053 -4.38837 -9.51596 -130.853 24.1049 -130.851 84.2827 GPRESSURE: 3950200 42.5021 13.4041 41.0158 49.0898 115.842 -90.9199 42.322 -70.8808 68.7384 PRESSAVG: 3950200 -22.4609 0.184965 11.8079 0.184991 19.8855 -31.0766 11.8079 -31.0766 -0.508309 GPRESSAVG: 3950200 -22.2698 -0.249962 10.889 2.24945 20.331 -29.9885 12.4286 -30.5082 -0.902569 TIMING: 3950200 CPU: 12490.9, 0.00318111/step Wall: 12490.9, 0.00318111/step, 0.927646 hours remaining, 240.156250 MB of memory in use. ENERGY: 3950200 4038.9120 20488.9810 14455.6030 240.0043 -203927.7415 2828.2842 0.0000 0.0000 51984.3076 -109891.6494 298.7545 -161875.9570 -109530.6662 298.9665 45.8433 75.6942 758776.9636 -1.0279 -0.9471 PRESSURE: 3950400 -194.154 -24.3941 -29.4601 -24.3941 -64.812 167.717 -29.4589 167.718 83.0688 GPRESSURE: 3950400 -188.728 -18.308 37.7264 -28.7149 -11.952 150.761 -197.609 116.834 114.137 PRESSAVG: 3950400 -43.6749 8.54771 24.0796 8.54766 42.5199 64.4361 24.0796 64.4361 20.264 GPRESSAVG: 3950400 -43.2559 7.68149 24.3757 9.27407 41.9004 63.2495 20.2045 63.0821 19.5318 TIMING: 3950400 CPU: 12491.5, 0.00317576/step Wall: 12491.5, 0.00317577/step, 0.925912 hours remaining, 240.156250 MB of memory in use. ENERGY: 3950400 3951.5707 20425.8839 14471.9977 243.0004 -203756.5055 2574.9111 0.0000 0.0000 51973.5326 -110115.6091 298.6926 -162089.1417 -109760.7707 298.3991 -58.6325 -28.8477 760963.2358 6.3697 6.0588 PRESSURE: 3950600 -272.333 19.8731 -19.6938 19.8725 -435.89 285.877 -19.6932 285.877 -362.268 GPRESSURE: 3950600 -242.165 -21.5321 -25.7478 4.75015 -370.239 294.645 24.8461 334.236 -360.19 PRESSAVG: 3950600 -42.9687 -5.30811 -19.3709 -5.30813 -17.0596 39.5071 -19.3709 39.507 22.9195 GPRESSAVG: 3950600 -43.5722 -4.57942 -18.9094 -7.24162 -17.7819 39.3922 -17.6995 41.1684 23.6476 TIMING: 3950600 CPU: 12492.2, 0.00318595/step Wall: 12492.2, 0.00318595/step, 0.928704 hours remaining, 240.156250 MB of memory in use. ENERGY: 3950600 4004.8752 20512.4020 14428.1414 232.7719 -203530.6737 2338.7056 0.0000 0.0000 52004.1667 -110009.6108 298.8687 -162013.7776 -109647.3886 298.5452 -356.8305 -324.1979 760482.7888 -12.3696 -12.5689 PRESSURE: 3950800 -292.834 -74.6311 -115.372 -74.6317 -147.744 -184.277 -115.371 -184.278 157.1 GPRESSURE: 3950800 -254.847 -134.74 -156.4 -54.3358 -57.1083 -172.946 -143.091 -173.081 120.388 PRESSAVG: 3950800 -12.256 -11.6342 29.888 -11.6342 -16.7737 27.2023 29.888 27.2023 13.1609 GPRESSAVG: 3950800 -11.9853 -12.4421 29.8447 -10.063 -17.0106 26.9153 29.9601 25.6343 13.5809 TIMING: 3950800 CPU: 12492.8, 0.00318643/step Wall: 12492.8, 0.00318643/step, 0.928668 hours remaining, 240.156250 MB of memory in use. ENERGY: 3950800 3958.8986 20581.1133 14443.1614 243.6323 -203737.4959 2683.5840 0.0000 0.0000 52106.7476 -109720.3587 299.4582 -161827.1063 -109361.9256 298.6896 -94.4925 -63.8560 759951.9793 -5.2896 -5.1383 PRESSURE: 3951000 285.581 -46.9604 -119.083 -46.9602 201.412 -28.5297 -119.084 -28.5292 -83.7605 GPRESSURE: 3951000 317.215 73.5193 -116.513 -71.2764 206.665 -31.0302 -43.3229 -115.134 -30.1344 PRESSAVG: 3951000 3.06203 -47.485 -30.3471 -47.485 52.4731 2.34087 -30.3471 2.34088 5.03339 GPRESSAVG: 3951000 3.01046 -47.54 -31.0112 -47.405 52.5276 1.85239 -31.1815 2.99388 4.92589 TIMING: 3951000 CPU: 12493.4, 0.00319479/step Wall: 12493.4, 0.00319479/step, 0.930926 hours remaining, 240.156250 MB of memory in use. ENERGY: 3951000 3914.2652 20633.5117 14437.0177 240.8313 -203540.1092 2320.5539 0.0000 0.0000 51866.5089 -110127.4205 298.0775 -161993.9294 -109750.8400 298.6006 134.4108 164.5818 759604.5515 20.1895 20.1547 PRESSURE: 3951200 109.634 -104.1 93.0963 -104.1 -233.826 155.554 93.0965 155.554 212.453 GPRESSURE: 3951200 186.569 -106.438 46.618 -35.3306 -190.165 134.272 -9.18054 194.39 169.271 PRESSAVG: 3951200 -34.2628 -68.7051 6.44629 -68.7051 63.0808 -4.42416 6.44625 -4.42413 -4.60697 GPRESSAVG: 3951200 -33.7821 -67.8817 5.51996 -69.0916 63.7189 -5.75624 8.29504 -3.35145 -5.93358 TIMING: 3951200 CPU: 12494.1, 0.00318113/step Wall: 12494.1, 0.00318113/step, 0.92677 hours remaining, 240.156250 MB of memory in use. ENERGY: 3951200 3947.8404 20473.8881 14502.9767 248.0841 -203445.0136 2312.5562 0.0000 0.0000 51878.4832 -110081.1848 298.1464 -161959.6680 -109714.4407 297.8570 29.4201 55.2253 760509.0158 8.0703 8.0011 PRESSURE: 3951400 -139.225 -63.8524 -114.663 -63.852 130.314 192.848 -114.662 192.849 -40.0019 GPRESSURE: 3951400 -62.5451 -29.7522 -183.081 -37.2851 170.849 180.435 -136.254 133.699 -49.3261 PRESSAVG: 3951400 -51.1009 8.64739 -28.9012 8.64738 66.3921 9.44359 -28.9012 9.4436 8.33531 GPRESSAVG: 3951400 -52.4951 9.85226 -28.1877 8.50953 67.0219 11.7242 -31.1209 5.44327 9.35448 TIMING: 3951400 CPU: 12494.7, 0.00317851/step Wall: 12494.7, 0.00317851/step, 0.92583 hours remaining, 240.156250 MB of memory in use. ENERGY: 3951400 4031.8931 20482.9935 14572.1598 237.7765 -203674.9931 2628.1461 0.0000 0.0000 51855.6218 -109866.4023 298.0150 -161722.0240 -109500.1453 298.1872 -16.3041 19.6594 761219.2514 7.8755 7.9604 PRESSURE: 3951600 33.6216 -207.165 58.5441 -207.164 -117.032 17.0516 58.544 17.0518 -86.4302 GPRESSURE: 3951600 -42.4507 -178.923 172.316 -238.892 -34.9499 80.564 109.31 40.148 2.48076 PRESSAVG: 3951600 -30.1056 -2.81163 18.6992 -2.8117 -8.44477 -14.0915 18.6992 -14.0915 -10.726 GPRESSAVG: 3951600 -30.5493 -3.15015 20.4761 -4.17571 -7.91753 -14.1773 20.0398 -11.4707 -11.1098 TIMING: 3951600 CPU: 12495.3, 0.0031479/step Wall: 12495.3, 0.0031479/step, 0.916739 hours remaining, 240.156250 MB of memory in use. ENERGY: 3951600 3942.3365 20610.4634 14525.7310 236.3053 -203457.1353 2565.0330 0.0000 0.0000 51884.2590 -109693.0070 298.1795 -161577.2661 -109335.7357 298.8338 -56.6134 -24.9733 761710.1380 -16.4255 -16.5255 PRESSURE: 3951800 80.1989 69.7416 -152.47 69.7421 13.8837 6.48849 -152.47 6.48752 48.5953 GPRESSURE: 3951800 58.2349 51.4213 -107.592 117.491 121.721 142.41 -57.2412 -47.4642 37.1712 PRESSAVG: 3951800 -8.22713 -0.616897 -27.5092 -0.616863 -0.990809 21.4986 -27.5092 21.4986 -14.8131 GPRESSAVG: 3951800 -8.60398 -2.92942 -29.0805 1.48641 -0.899623 21.0747 -24.9784 20.7497 -14.9001 TIMING: 3951800 CPU: 12496, 0.00315182/step Wall: 12496, 0.00315182/step, 0.917706 hours remaining, 240.156250 MB of memory in use. ENERGY: 3951800 3917.6675 20650.4198 14457.5913 232.7428 -203336.1556 2551.9517 0.0000 0.0000 52065.6949 -109460.0876 299.2223 -161525.7825 -109095.7779 298.6730 47.5593 72.3756 761917.9346 -8.0103 -8.1346 PRESSURE: 3952000 450.434 235.908 123.063 235.909 129.641 -41.7858 123.063 -41.7855 181.37 GPRESSURE: 3952000 465.525 156.88 74.2471 174.141 196.494 -65.6736 -28.3695 6.0172 189.953 PRESSAVG: 3952000 14.6038 43.256 -23.6721 43.2561 -22.9313 8.54171 -23.6721 8.54166 42.4611 GPRESSAVG: 3952000 15.8371 43.748 -23.8779 43.5731 -22.9803 8.22329 -24.3014 10.447 41.7951 TIMING: 3952000 CPU: 12496.6, 0.0031555/step Wall: 12496.6, 0.0031555/step, 0.9186 hours remaining, 240.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3952000 3960.5653 20469.1057 14506.5067 252.6718 -203846.2180 2841.1845 0.0000 0.0000 52190.2724 -109625.9116 299.9382 -161816.1840 -109257.7477 299.4384 253.8151 283.9906 760730.3367 11.3779 11.5506 PRESSURE: 3952200 -62.9472 27.1462 228.572 27.1471 196.593 -180.586 228.571 -180.585 209.753 GPRESSURE: 3952200 -39.4856 -15.5467 260.713 13.386 231.733 -199.473 183.84 -258.619 217.774 PRESSAVG: 3952200 22.2305 32.54 -20.1388 32.54 -31.5834 12.7648 -20.1389 12.7649 1.63726 GPRESSAVG: 3952200 22.121 35.0877 -19.9334 30.4367 -31.4296 14.5082 -20.1552 11.131 2.11749 TIMING: 3952200 CPU: 12497.2, 0.00315354/step Wall: 12497.2, 0.00315354/step, 0.917854 hours remaining, 240.156250 MB of memory in use. ENERGY: 3952200 3978.1296 20694.2907 14451.1881 226.0514 -203711.1658 2697.1871 0.0000 0.0000 52240.8773 -109423.4415 300.2290 -161664.3189 -109056.7734 299.8739 114.4664 136.6738 761104.0028 -2.5719 -2.3970 LDB: ============= START OF LOAD BALANCING ============== 12509.6 LDB: ============== END OF LOAD BALANCING =============== 12509.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12509.6 LDB: ============= START OF LOAD BALANCING ============== 12509.9 LDB: Largest compute 7033 load 0.032121 is 16.4% of average load 0.196088 LDB: Average compute 0.004378 is 2.2% of average load 0.196088 LDB: TIME 12510 LOAD: AVG 0.196088 MAX 0.220716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.742 MB LDB: TIME 12510 LOAD: AVG 0.196088 MAX 0.220716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.742 MB LDB: TIME 12510 LOAD: AVG 0.196088 MAX 0.218826 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.742 MB LDB: ============== END OF LOAD BALANCING =============== 12510 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12510 PRESSURE: 3952400 -203.249 151.358 -181.103 151.358 -76.0672 -219.516 -181.102 -219.515 110.779 GPRESSURE: 3952400 -79.9482 145.231 -229.029 102.874 -68.5379 -123.045 -252.443 -165.221 65.2663 PRESSAVG: 3952400 12.8178 27.9517 22.5816 27.9517 -8.42742 35.2433 22.5816 35.2433 -4.55374 GPRESSAVG: 3952400 12.3123 26.8835 21.3544 27.8004 -8.18849 35.4593 22.1293 37.0868 -4.32856 TIMING: 3952400 CPU: 12497.9, 0.00323459/step Wall: 12497.9, 0.00323459/step, 0.941267 hours remaining, 239.125000 MB of memory in use. ENERGY: 3952400 3949.1554 20584.5541 14475.1267 252.4403 -203400.7907 2536.8730 0.0000 0.0000 52252.6983 -109349.9429 300.2970 -161602.6412 -108998.2834 299.9753 -56.1789 -27.7399 759939.8666 -0.0545 -0.0682 PRESSURE: 3952600 14.3425 -26.5924 10.1967 -26.5923 326.1 21.5194 10.1963 21.5205 78.2729 GPRESSURE: 3952600 125.256 -19.6458 -57.7592 -84.7365 349.073 -38.5648 115.079 -40.2976 36.309 PRESSAVG: 3952600 -38.3334 4.67369 -0.59599 4.67364 25.4551 63.3061 -0.595951 63.3061 8.57524 GPRESSAVG: 3952600 -37.6925 5.6347 -0.54681 5.34559 25.2126 61.4643 0.101527 63.1699 8.26734 TIMING: 3952600 CPU: 12498.5, 0.00318952/step Wall: 12498.5, 0.00318952/step, 0.927972 hours remaining, 239.191406 MB of memory in use. ENERGY: 3952600 3915.9784 20563.3238 14448.3320 233.6690 -203444.9470 2463.3262 0.0000 0.0000 52349.0223 -109471.2953 300.8506 -161820.3176 -109112.4918 299.5664 139.5717 170.2126 760561.3268 -1.4344 -1.4042 PRESSURE: 3952800 149.595 -75.4607 99.828 -75.4605 -378.966 240.781 99.827 240.781 -165.509 GPRESSURE: 3952800 131.262 -138.893 86.555 38.3472 -320.367 193.503 38.2443 316.936 -102.411 PRESSAVG: 3952800 -50.818 -16.0634 -35.0607 -16.0634 32.1699 78.9412 -35.0607 78.9412 3.32781 GPRESSAVG: 3952800 -51.0137 -17.3365 -34.5903 -14.818 32.8408 81.2512 -36.1037 76.9928 2.94995 TIMING: 3952800 CPU: 12499.1, 0.00315314/step Wall: 12499.1, 0.00315314/step, 0.917214 hours remaining, 239.191406 MB of memory in use. ENERGY: 3952800 4054.5169 20477.6256 14481.3368 234.6854 -203446.0904 2651.9356 0.0000 0.0000 52263.6193 -109282.3709 300.3597 -161545.9902 -108919.6905 299.4089 -131.6269 -97.1718 761296.6710 -5.1068 -5.0743 PRESSURE: 3953000 -39.8626 -160.878 -133.995 -160.878 15.3167 -37.6659 -133.994 -37.6651 -327.102 GPRESSURE: 3953000 -61.3342 -78.4199 -207.842 -172.195 92.3578 -12.5993 -43.7649 -115.681 -285.239 PRESSAVG: 3953000 -67.5639 -51.1354 36.632 -51.1355 40.0371 33.7898 36.632 33.7898 5.83326 GPRESSAVG: 3953000 -67.3101 -52.3114 39.2853 -50.1168 39.493 33.8837 33.7185 35.8134 6.23648 TIMING: 3953000 CPU: 12499.8, 0.00315229/step Wall: 12499.8, 0.00315229/step, 0.916792 hours remaining, 239.191406 MB of memory in use. ENERGY: 3953000 3960.4878 20628.3853 14437.6522 235.9591 -203184.5927 2332.7481 0.0000 0.0000 52510.9836 -109078.3766 301.7813 -161589.3603 -108709.8436 300.1639 -117.2160 -84.7386 759949.8586 -7.2312 -7.1935 PRESSURE: 3953200 -7.01885 -67.991 -57.1503 -67.9908 406.233 45.3571 -57.1503 45.3568 245.439 GPRESSURE: 3953200 19.7744 -150.372 -62.2465 -6.45714 383.15 46.6167 -61.1782 -24.63 330.601 PRESSAVG: 3953200 -5.1938 -6.80167 14.8344 -6.80171 54.8461 -3.02226 14.8344 -3.02222 12.948 GPRESSAVG: 3953200 -5.7302 -5.06185 12.7143 -8.6047 54.8046 -2.81977 19.0018 -3.96263 12.9186 TIMING: 3953200 CPU: 12500.4, 0.00316571/step Wall: 12500.4, 0.00316571/step, 0.920519 hours remaining, 239.191406 MB of memory in use. ENERGY: 3953200 3987.3291 20597.6220 14510.5160 250.9853 -203120.0379 2486.8848 0.0000 0.0000 52320.1881 -108966.5126 300.6848 -161286.7006 -108608.2774 300.7599 214.8845 244.5087 759595.0723 20.8668 20.6643 PRESSURE: 3953400 -8.45785 -106.712 225.132 -106.713 -257.354 -150.211 225.131 -150.211 -12.7576 GPRESSURE: 3953400 71.1002 -123.074 224.719 -44.8372 -210.755 -105.769 189.727 -176.173 -52.213 PRESSAVG: 3953400 2.46196 -47.6176 -0.569799 -47.6176 -3.05109 16.5286 -0.569787 16.5286 -8.29618 GPRESSAVG: 3953400 2.21746 -48.6802 1.34983 -45.5118 -2.05917 15.9997 -3.20368 16.1375 -8.77127 TIMING: 3953400 CPU: 12501, 0.00316795/step Wall: 12501, 0.00316795/step, 0.920993 hours remaining, 239.191406 MB of memory in use. ENERGY: 3953400 3987.3787 20587.8025 14480.9202 237.7038 -202722.9969 2171.5156 0.0000 0.0000 52204.2682 -109053.4080 300.0186 -161257.6762 -108695.9174 300.3915 -92.8565 -63.9560 762040.1128 -2.9618 -2.8710 PRESSURE: 3953600 -194.289 187.126 38.4528 187.125 -394.887 97.2429 38.4511 97.2432 -172.382 GPRESSURE: 3953600 -170.643 139.121 -8.44138 25.6569 -349.696 64.4743 75.4206 139.587 -156.434 PRESSAVG: 3953600 -15.1795 -100.961 -2.37574 -100.961 -11.6134 43.5796 -2.37579 43.5796 -4.96171 GPRESSAVG: 3953600 -15.6642 -99.6562 -4.53595 -102.35 -11.8683 42.5529 -2.94154 44.7644 -4.58934 TIMING: 3953600 CPU: 12501.7, 0.00315769/step Wall: 12501.7, 0.00315769/step, 0.917835 hours remaining, 239.191406 MB of memory in use. ENERGY: 3953600 3922.2596 20764.8705 14493.8445 243.5762 -203005.9730 2463.6598 0.0000 0.0000 52245.1742 -108872.5884 300.2537 -161117.7626 -108507.0609 300.4626 -253.8527 -225.5906 761918.8710 -10.5849 -10.7073 PRESSURE: 3953800 15.9576 -268.177 81.0015 -268.178 -309.968 33.6759 81.0027 33.6769 -422.621 GPRESSURE: 3953800 46.5003 -250.702 104.856 -115.441 -240.461 -55.0137 40.5747 10.6955 -432.661 PRESSAVG: 3953800 -5.70581 -53.0831 -29.9346 -53.0831 -1.50359 40.2339 -29.9346 40.2339 22.6805 GPRESSAVG: 3953800 -4.03757 -53.0581 -29.6326 -52.1378 -3.44884 39.0109 -27.9362 41.1927 23.2976 TIMING: 3953800 CPU: 12502.3, 0.00316812/step Wall: 12502.3, 0.00316812/step, 0.920691 hours remaining, 239.191406 MB of memory in use. ENERGY: 3953800 3996.4283 20683.4217 14454.5504 245.5781 -203163.4068 2532.9313 0.0000 0.0000 52115.4093 -109135.0877 299.5080 -161250.4970 -108776.2130 300.5121 -238.8774 -208.8740 762048.9794 5.1570 5.2704 PRESSURE: 3954000 -38.6308 65.3604 164.462 65.3605 -244.716 266.039 164.462 266.04 -395.347 GPRESSURE: 3954000 -61.5308 108.434 137.502 -39.1478 -271.417 311.324 91.5697 42.4825 -284.09 PRESSAVG: 3954000 -33.0403 -85.9371 2.63896 -85.9371 9.0632 -10.4304 2.63894 -10.4304 15.1563 GPRESSAVG: 3954000 -35.1869 -86.6075 3.1415 -87.5631 11.2122 -10.4612 1.34941 -12.8125 15.3582 TIMING: 3954000 CPU: 12502.9, 0.00318827/step Wall: 12502.9, 0.00318827/step, 0.926368 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3954000 4096.3276 20661.2361 14494.8705 252.4424 -203381.8844 2564.7758 0.0000 0.0000 52004.9541 -109307.2779 298.8732 -161312.2321 -108949.9657 299.8519 -226.2311 -205.6795 761913.2425 -2.9403 -2.8722 PRESSURE: 3954200 -330.828 17.3461 3.60038 17.3456 -331.252 -251.399 3.60057 -251.399 -242.002 GPRESSURE: 3954200 -296.718 -82.4362 -6.70151 94.3921 -331.794 -239.698 73.7515 -273.932 -184.565 PRESSAVG: 3954200 -35.4366 -22.9243 23.5205 -22.9242 40.3373 -54.2769 23.5205 -54.2769 -4.97364 GPRESSAVG: 3954200 -34.4265 -22.4936 21.3418 -23.69 40.4307 -52.4981 24.296 -54.7646 -5.94111 TIMING: 3954200 CPU: 12503.6, 0.00314317/step Wall: 12503.6, 0.00314317/step, 0.913091 hours remaining, 239.191406 MB of memory in use. ENERGY: 3954200 3976.8455 20616.9765 14536.2713 262.7127 -203538.2103 2600.9086 0.0000 0.0000 52049.4635 -109495.0322 299.1290 -161544.4958 -109127.7373 299.7915 -301.3604 -271.0258 760993.0376 -0.0243 0.0210 PRESSURE: 3954400 -78.2955 93.0004 28.2237 93.0011 -19.1627 -49.3858 28.2237 -49.3852 575.682 GPRESSURE: 3954400 64.1199 79.6927 48.7143 81.3522 -67.1219 -49.1955 -96.6293 -186.696 561.95 PRESSAVG: 3954400 -43.1041 -82.6238 -17.4228 -82.6238 16.1578 32.2342 -17.4228 32.2341 3.60892 GPRESSAVG: 3954400 -42.304 -81.7832 -15.6453 -81.0323 14.8924 30.8525 -18.05 34.3548 4.05724 TIMING: 3954400 CPU: 12504.2, 0.00314098/step Wall: 12504.2, 0.00314098/step, 0.91228 hours remaining, 239.191406 MB of memory in use. ENERGY: 3954400 3943.1617 20555.4464 14543.7229 253.7204 -202788.1611 2182.3591 0.0000 0.0000 52170.3347 -109139.4159 299.8236 -161309.7506 -108778.8466 299.6914 159.4081 186.3161 761100.9326 -7.7791 -7.7848 PRESSURE: 3954600 53.5857 -178.511 41.5816 -178.511 -118.069 -100.326 41.5808 -100.326 -163.116 GPRESSURE: 3954600 69.7112 -152.779 -40.0583 -59.4313 -16.2734 21.0013 104.993 -241.779 -194.559 PRESSAVG: 3954600 -19.8867 -75.0826 -0.250178 -75.0826 37.5806 -3.98712 -0.250203 -3.98716 -6.13496 GPRESSAVG: 3954600 -20.6761 -76.2327 -0.898114 -76.6693 39.0371 -3.7514 0.226722 -4.34457 -6.07963 TIMING: 3954600 CPU: 12504.8, 0.00316057/step Wall: 12504.8, 0.00316057/step, 0.917795 hours remaining, 239.191406 MB of memory in use. ENERGY: 3954600 4013.6888 20704.8639 14532.6582 227.5725 -203220.0668 2523.0215 0.0000 0.0000 52034.6865 -109183.5754 299.0441 -161218.2619 -108834.0819 299.8389 -75.8667 -47.0404 761546.3544 3.8530 4.0938 PRESSURE: 3954800 42.6222 107.251 -211.084 107.251 29.8066 -79.785 -211.085 -79.7848 -264.867 GPRESSURE: 3954800 -1.77527 158.173 -204.056 158.438 170.817 -15.6973 -137.502 -49.5442 -272.447 PRESSAVG: 3954800 -7.90522 -43.123 13.6531 -43.123 4.51105 -12.0752 13.653 -12.0752 -8.52007 GPRESSAVG: 3954800 -7.51524 -41.5433 14.2564 -42.8772 4.05433 -12.8409 15.7307 -11.1112 -7.97195 TIMING: 3954800 CPU: 12505.5, 0.00314787/step Wall: 12505.5, 0.00314787/step, 0.91393 hours remaining, 239.191406 MB of memory in use. ENERGY: 3954800 4052.3713 20581.9198 14560.1347 253.1147 -203163.4903 2531.7127 0.0000 0.0000 52016.3757 -109167.8614 298.9388 -161184.2371 -108805.9974 299.6183 -64.1461 -34.4687 760731.4181 -3.9714 -3.8110 PRESSURE: 3955000 -140.578 -8.21582 210.996 -8.21611 -186.019 -83.7799 210.995 -83.7811 -568.748 GPRESSURE: 3955000 -30.6524 -115.474 226.597 -1.8488 -169.151 -85.1071 196.31 -70.4977 -606.58 PRESSAVG: 3955000 -54.7545 -67.8058 9.27394 -67.8058 59.4823 -20.009 9.27396 -20.009 3.11259 GPRESSAVG: 3955000 -53.4888 -71.183 11.0475 -65.5187 58.9386 -17.528 7.41216 -21.1833 2.26598 TIMING: 3955000 CPU: 12506.1, 0.00315842/step Wall: 12506.1, 0.00315842/step, 0.916818 hours remaining, 239.191406 MB of memory in use. ENERGY: 3955000 3901.4255 20424.9737 14528.1357 249.3007 -203240.8749 2686.7934 0.0000 0.0000 52170.4145 -109279.8315 299.8241 -161450.2459 -108914.1738 299.8443 -298.4484 -268.7945 761943.6475 2.6135 2.5719 PRESSURE: 3955200 -96.035 -66.2089 74.9895 -66.21 51.6803 -182.335 74.9888 -182.335 137.337 GPRESSURE: 3955200 47.017 -128.815 153.495 -83.5885 42.0763 -302.383 -27.1407 -106.042 88.685 PRESSAVG: 3955200 9.58764 -53.1024 -31.368 -53.1026 16.2877 -38.0203 -31.368 -38.0202 9.31792 GPRESSAVG: 3955200 8.89865 -52.3615 -32.3911 -54.1683 17.2712 -39.6905 -30.2339 -34.7905 8.49133 TIMING: 3955200 CPU: 12506.7, 0.00314369/step Wall: 12506.7, 0.00314369/step, 0.912369 hours remaining, 239.191406 MB of memory in use. ENERGY: 3955200 3967.4416 20688.8802 14543.8965 248.0224 -203002.3875 2249.4592 0.0000 0.0000 52183.4666 -109121.2210 299.8991 -161304.6876 -108765.7409 299.9572 30.9940 59.2594 759746.3662 11.7311 11.5537 PRESSURE: 3955400 -151.142 204.069 2.55396 204.07 -326.72 41.2452 2.55266 41.2447 26.2318 GPRESSURE: 3955400 -117.806 140.397 -70.6588 131.565 -284.237 -9.6423 93.5107 -106.794 54.7256 PRESSAVG: 3955400 48.44 -56.14 25.1745 -56.1399 -56.3277 -20.2368 25.1745 -20.2369 24.9391 GPRESSAVG: 3955400 49.511 -53.6619 22.255 -60.0661 -56.8508 -21.38 23.0796 -21.1053 24.5462 TIMING: 3955400 CPU: 12507.4, 0.00315384/step Wall: 12507.4, 0.00315384/step, 0.91514 hours remaining, 239.191406 MB of memory in use. ENERGY: 3955400 3940.9532 20613.8667 14495.9899 251.5871 -203115.1644 2476.7610 0.0000 0.0000 52104.3192 -109231.6874 299.4442 -161336.0066 -108876.5228 299.6502 -150.5435 -115.7725 759653.1396 5.6838 5.7355 PRESSURE: 3955600 -26.4107 -229.551 -103.37 -229.551 -257.724 -19.5942 -103.37 -19.5941 205.75 GPRESSURE: 3955600 -125.128 -163.38 -123.477 -268.702 -158.196 -41.3519 -20.3595 -85.1074 277.891 PRESSAVG: 3955600 7.50347 -50.3865 -5.68807 -50.3865 28.2287 -15.0101 -5.68804 -15.01 -12.2579 GPRESSAVG: 3955600 7.16207 -51.8015 -4.35441 -48.416 26.8829 -14.473 -3.80402 -15.6671 -10.8626 TIMING: 3955600 CPU: 12508, 0.00314823/step Wall: 12508, 0.00314823/step, 0.913336 hours remaining, 239.191406 MB of memory in use. ENERGY: 3955600 3958.4209 20465.7319 14486.5360 260.7248 -203098.1039 2524.0608 0.0000 0.0000 52066.9768 -109335.6527 299.2296 -161402.6295 -108985.3717 299.2603 -26.1280 -1.8107 760238.4612 7.8248 7.7275 PRESSURE: 3955800 -87.5865 -133.142 -35.8412 -133.142 -62.0037 -139.681 -35.8407 -139.681 60.3864 GPRESSURE: 3955800 -86.6962 -66.3331 -8.50412 -143.416 96.5851 -168.002 -35.2671 33.6384 -6.90904 PRESSAVG: 3955800 -5.6411 -62.6971 -17.1147 -62.6971 2.48015 -57.7517 -17.1148 -57.7517 8.71082 GPRESSAVG: 3955800 -6.08769 -62.952 -14.93 -61.8111 3.50498 -56.8633 -18.8145 -58.2107 8.27277 TIMING: 3955800 CPU: 12508.6, 0.00315271/step Wall: 12508.6, 0.00315271/step, 0.914461 hours remaining, 239.191406 MB of memory in use. ENERGY: 3955800 3971.3463 20470.7396 14513.3835 246.8596 -202925.4287 2494.4641 0.0000 0.0000 51952.8871 -109275.7485 298.5740 -161228.6356 -108913.9804 299.5279 -29.7346 0.9933 761587.0174 1.8500 1.8967 PRESSURE: 3956000 190.955 -105.462 -51.2671 -105.461 -224.04 40.9988 -51.2681 40.9986 -323.132 GPRESSURE: 3956000 186.791 -86.5139 -20.7605 -229.075 -154.02 90.8969 -24.4578 -10.347 -321.903 PRESSAVG: 3956000 25.0346 -86.6061 19.1025 -86.6061 -17.3638 -15.6784 19.1025 -15.6784 -19.7688 GPRESSAVG: 3956000 23.3904 -85.7311 16.9128 -86.6572 -16.8029 -15.2337 20.9271 -17.1005 -19.0426 TIMING: 3956000 CPU: 12509.2, 0.00316756/step Wall: 12509.2, 0.00316756/step, 0.918593 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3956000 3985.6643 20401.6175 14477.0202 240.6026 -203306.6661 2637.3262 0.0000 0.0000 52009.4313 -109555.0041 298.8989 -161564.4354 -109189.9237 298.4317 -118.7390 -96.3773 762170.2255 -4.0327 -4.1517 PRESSURE: 3956200 170.336 -55.4964 -35.3689 -55.4969 153.647 100.751 -35.3685 100.751 -23.5956 GPRESSURE: 3956200 212.43 -43.1472 45.8794 -55.656 274.547 98.978 21.5529 106.906 -108.739 PRESSAVG: 3956200 9.37441 -24.3044 4.39372 -24.3044 0.729656 5.41085 4.39375 5.41086 -2.92249 GPRESSAVG: 3956200 10.2969 -24.0837 4.65023 -25.4849 0.251503 3.89862 4.30283 8.17968 -3.18205 TIMING: 3956200 CPU: 12509.9, 0.00315984/step Wall: 12509.9, 0.00315984/step, 0.916179 hours remaining, 239.191406 MB of memory in use. ENERGY: 3956200 3886.6347 20451.9545 14495.9394 253.9567 -203444.7658 2675.6909 0.0000 0.0000 51896.9691 -109783.6205 298.2526 -161680.5896 -109418.8676 298.4618 100.1293 126.0795 761522.0404 2.3939 2.4554 LDB: ============= START OF LOAD BALANCING ============== 12522.3 LDB: ============== END OF LOAD BALANCING =============== 12522.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.3 LDB: ============= START OF LOAD BALANCING ============== 12522.6 LDB: Largest compute 7068 load 0.032321 is 16.5% of average load 0.196156 LDB: Average compute 0.004367 is 2.2% of average load 0.196156 LDB: TIME 12522.6 LOAD: AVG 0.196156 MAX 0.217144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.852 MB LDB: TIME 12522.6 LOAD: AVG 0.196156 MAX 0.217144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.055 MB LDB: TIME 12522.6 LOAD: AVG 0.196156 MAX 0.217144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.055 MB LDB: ============== END OF LOAD BALANCING =============== 12522.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.6 PRESSURE: 3956400 -302.788 -50.9641 -186.751 -50.9647 -149.979 30.4846 -186.75 30.4853 -165.188 GPRESSURE: 3956400 -291.992 28.3573 -239.981 -16.8006 -102.685 -48.9997 -134.753 61.7882 -127.754 PRESSAVG: 3956400 -11.52 -44.0158 -35.0344 -44.0158 51.7195 -10.5199 -35.0344 -10.5199 -18.8242 GPRESSAVG: 3956400 -12.1342 -44.8765 -35.1124 -44.9417 52.0544 -8.79889 -35.9818 -12.6984 -18.756 TIMING: 3956400 CPU: 12510.5, 0.00324598/step Wall: 12510.5, 0.00324598/step, 0.940973 hours remaining, 238.347656 MB of memory in use. ENERGY: 3956400 3918.2217 20439.7620 14451.9222 256.7932 -203225.2109 2518.3865 0.0000 0.0000 51944.2353 -109695.8901 298.5242 -161640.1254 -109342.4528 298.3242 -205.9851 -174.1439 762930.0520 7.1251 7.0547 PRESSURE: 3956600 -199.023 30.3471 29.1754 30.3473 90.1226 -68.4842 29.1754 -68.4841 -189.42 GPRESSURE: 3956600 -87.8695 -64.9902 -30.3576 13.3002 13.1195 -18.5844 -105.007 -84.0583 -160.184 PRESSAVG: 3956600 -39.7168 -70.8103 -29.57 -70.8104 52.4389 -0.180014 -29.57 -0.180015 -1.55677 GPRESSAVG: 3956600 -38.8459 -70.8032 -27.867 -69.0808 51.4972 0.023065 -30.2227 0.786353 -1.40114 TIMING: 3956600 CPU: 12511.2, 0.00315131/step Wall: 12511.2, 0.00315131/step, 0.913355 hours remaining, 238.414062 MB of memory in use. ENERGY: 3956600 3966.0043 20436.5220 14454.2066 249.4135 -203376.2017 2430.9761 0.0000 0.0000 52043.8311 -109795.2480 299.0966 -161839.0791 -109426.0735 298.7111 -99.4401 -78.3112 762238.1962 3.7218 3.7501 PRESSURE: 3956800 -243.113 -28.4656 27.2969 -28.4648 -365.011 345.788 27.2975 345.788 -82.8147 GPRESSURE: 3956800 -242.304 -10.0728 -99.8653 -32.7917 -293.44 266.846 -44.9328 448.861 -59.5981 PRESSAVG: 3956800 -22.4419 -63.6358 14.913 -63.6358 -2.81983 -49.7883 14.913 -49.7882 10.8843 GPRESSAVG: 3956800 -22.8083 -65.7042 14.3787 -62.1412 -2.5085 -51.7733 15.1861 -48.4126 10.7649 TIMING: 3956800 CPU: 12511.8, 0.00317223/step Wall: 12511.8, 0.00317223/step, 0.919242 hours remaining, 238.414062 MB of memory in use. ENERGY: 3956800 3894.3109 20500.2575 14356.9477 231.8201 -203001.2255 2116.0096 0.0000 0.0000 52078.0767 -109823.8030 299.2934 -161901.8797 -109452.4699 298.2320 -230.3129 -198.4474 760896.0058 -4.7925 -4.8506 PRESSURE: 3957000 -58.9038 -249.414 -252.619 -249.414 -209.613 156.625 -252.619 156.624 316.594 GPRESSURE: 3957000 34.8505 -179.441 -248.385 -87.4191 -182.928 176.075 -195.059 33.9648 292.54 PRESSAVG: 3957000 -28.6742 -61.9251 -36.9771 -61.9251 29.5799 -24.4856 -36.9771 -24.4857 8.37785 GPRESSAVG: 3957000 -27.2616 -61.3712 -37.2712 -61.815 29.7766 -22.3317 -36.3656 -26.8264 6.88885 TIMING: 3957000 CPU: 12512.4, 0.00315705/step Wall: 12512.4, 0.00315705/step, 0.914668 hours remaining, 238.414062 MB of memory in use. ENERGY: 3957000 4015.8870 20409.2153 14357.4001 219.0181 -203340.7879 2536.9714 0.0000 0.0000 52028.6739 -109773.6220 299.0095 -161802.2959 -109413.5636 298.4369 16.0255 48.1542 759234.7595 3.0945 3.1346 PRESSURE: 3957200 245.456 -112.209 -251.015 -112.209 24.5592 -305.411 -251.014 -305.41 213.33 GPRESSURE: 3957200 203.794 -212.983 -281.654 -87.568 96.7587 -295.403 -187.509 -269.123 266.458 PRESSAVG: 3957200 9.59323 -6.77157 43.5214 -6.77155 -7.85816 15.0965 43.5214 15.0965 21.9161 GPRESSAVG: 3957200 9.40764 -5.99317 45.2966 -7.10185 -8.76702 16.0952 44.6041 14.8916 23.4098 TIMING: 3957200 CPU: 12513.1, 0.00314336/step Wall: 12513.1, 0.00314336/step, 0.910527 hours remaining, 238.414062 MB of memory in use. ENERGY: 3957200 3879.8006 20508.3269 14494.2085 247.3300 -203377.9628 2744.0521 0.0000 0.0000 51750.0205 -109754.2242 297.4081 -161504.2447 -109402.8049 298.5430 161.1150 189.0037 759514.7387 7.8837 8.0168 PRESSURE: 3957400 10.3096 -90.1886 315.431 -90.1873 -198.451 -143.12 315.431 -143.12 -321.706 GPRESSURE: 3957400 64.6898 -81.3432 260.63 -22.5886 -70.138 -141.223 296.569 -143.615 -429.973 PRESSAVG: 3957400 -11.6807 -31.8724 12.9354 -31.8724 40.2602 -29.239 12.9354 -29.239 20.4543 GPRESSAVG: 3957400 -13.9199 -30.8159 11.5207 -33.4332 42.4411 -31.8247 11.6801 -28.2882 20.2117 TIMING: 3957400 CPU: 12513.7, 0.00315187/step Wall: 12513.7, 0.00315187/step, 0.912815 hours remaining, 238.414062 MB of memory in use. ENERGY: 3957400 4000.6447 20501.3924 14434.7106 228.2123 -203324.6479 2643.1458 0.0000 0.0000 51903.2022 -109613.3400 298.2884 -161516.5422 -109259.1323 298.4317 -169.9493 -145.1404 760484.5541 16.3446 16.2443 PRESSURE: 3957600 -141.489 -311.546 247.428 -311.546 -92.5538 -42.1692 247.427 -42.1688 279.723 GPRESSURE: 3957600 -176.145 -250.127 231.167 -234.213 -2.42086 109.368 279.144 -73.4154 305.829 PRESSAVG: 3957600 -10.7837 -40.1825 16.1336 -40.1825 11.537 -52.7011 16.1336 -52.7011 49.8303 GPRESSAVG: 3957600 -10.6191 -39.6075 14.6155 -41.6792 12.0012 -51.8062 17.3556 -50.517 49.5648 TIMING: 3957600 CPU: 12514.3, 0.003149/step Wall: 12514.3, 0.003149/step, 0.91181 hours remaining, 238.414062 MB of memory in use. ENERGY: 3957600 4043.9367 20472.8934 14491.2733 257.8534 -203385.1990 2432.7485 0.0000 0.0000 51967.8072 -109718.6865 298.6597 -161686.4937 -109359.4306 298.5922 15.2267 42.4210 759747.5184 16.8612 16.9823 PRESSURE: 3957800 -232.972 -117.305 -129.23 -117.304 -271.832 229.348 -129.231 229.347 -595.134 GPRESSURE: 3957800 -241.864 -304.737 -119.063 -145.14 -220.79 238.604 -180.824 162.036 -535.072 PRESSAVG: 3957800 -40.5156 -2.01289 -5.58372 -2.01283 -15.1104 -9.57978 -5.58371 -9.57989 -10.1392 GPRESSAVG: 3957800 -40.0786 -4.89947 -8.35411 2.86645 -15.6061 -8.68808 -4.21653 -12.3626 -9.79244 TIMING: 3957800 CPU: 12514.9, 0.00315143/step Wall: 12514.9, 0.00315143/step, 0.912339 hours remaining, 238.414062 MB of memory in use. ENERGY: 3957800 3992.4583 20475.0210 14474.0392 249.6463 -203093.4680 2332.0974 0.0000 0.0000 51931.4074 -109638.7984 298.4505 -161570.2058 -109282.5968 299.2311 -366.6460 -332.5753 761075.0430 -21.9217 -21.8257 PRESSURE: 3958000 -363.116 67.739 -96.4792 67.7387 88.1864 -180.035 -96.4799 -180.035 -270.184 GPRESSURE: 3958000 -210.229 6.7497 31.6302 110.91 -14.3708 -148.003 -103.394 -149.328 -263.342 PRESSAVG: 3958000 -35.0604 -37.0837 37.9039 -37.0838 42.0743 -26.6881 37.9039 -26.6881 15.5222 GPRESSAVG: 3958000 -34.7701 -34.0529 41.4832 -40.4589 40.7601 -27.2195 36.1638 -24.9915 15.1207 TIMING: 3958000 CPU: 12515.6, 0.00316237/step Wall: 12515.6, 0.00316237/step, 0.915329 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3958000 3948.2415 20623.1547 14428.9451 246.2708 -203029.8653 2357.0963 0.0000 0.0000 51846.9075 -109579.2495 297.9649 -161426.1570 -109217.5995 298.8748 -181.7047 -162.6471 760285.2578 7.5120 7.0369 PRESSURE: 3958200 -209.479 -214.181 -20.8593 -214.181 -254.228 -299.437 -20.8602 -299.437 196.849 GPRESSURE: 3958200 -155.356 -215.55 44.053 -188.046 -202.388 -166.282 -105.477 -206.414 174.872 PRESSAVG: 3958200 52.5962 -8.7283 2.6006 -8.72832 -19.2176 -35.5799 2.60064 -35.5799 2.1305 GPRESSAVG: 3958200 53.2953 -9.15005 1.36445 -8.48329 -20.3233 -34.7977 2.55969 -36.7702 2.29203 TIMING: 3958200 CPU: 12516.2, 0.00315023/step Wall: 12516.2, 0.00315023/step, 0.911641 hours remaining, 238.414062 MB of memory in use. ENERGY: 3958200 4016.1535 20680.8487 14434.7552 233.7041 -203092.7410 2310.8668 0.0000 0.0000 51883.0335 -109533.3792 298.1725 -161416.4127 -109171.1531 299.2112 -88.9529 -60.9573 759402.2781 11.8364 11.7547 PRESSURE: 3958400 98.0256 -106.64 -87.1076 -106.64 -224.75 -120.657 -87.1088 -120.658 111.451 GPRESSURE: 3958400 127.139 -80.3857 -6.03284 -125.407 -184.386 -110.947 -66.5128 -164.778 127.282 PRESSAVG: 3958400 64.4014 -80.7932 -35.0249 -80.7931 -28.5763 -40.5272 -35.0249 -40.5271 6.20605 GPRESSAVG: 3958400 63.1911 -80.0164 -32.9999 -82.5529 -26.9738 -39.9812 -36.5505 -40.9419 6.1241 TIMING: 3958400 CPU: 12516.8, 0.00319117/step Wall: 12516.8, 0.00319117/step, 0.923313 hours remaining, 238.414062 MB of memory in use. ENERGY: 3958400 4004.8897 20506.6054 14455.9073 239.3975 -203172.7451 2383.0919 0.0000 0.0000 51859.1017 -109723.7515 298.0350 -161582.8532 -109367.2128 298.9406 -5.0912 23.3450 759390.3514 14.0104 14.1138 PRESSURE: 3958600 291.979 2.21043 154.194 2.2099 -87.6462 -39.6263 154.196 -39.6264 16.3855 GPRESSURE: 3958600 194.595 41.7149 82.0293 50.1682 74.0093 -79.3481 336.163 40.8063 32.8697 PRESSAVG: 3958600 60.591 6.66415 8.08823 6.66411 -71.8238 -43.2998 8.08827 -43.2998 7.61085 GPRESSAVG: 3958600 60.2127 7.00454 6.4545 7.11066 -70.5337 -45.5819 11.9399 -42.6849 7.60501 TIMING: 3958600 CPU: 12517.5, 0.00314259/step Wall: 12517.5, 0.00314259/step, 0.909081 hours remaining, 238.414062 MB of memory in use. ENERGY: 3958600 4011.5303 20634.1527 14422.1532 245.2952 -203555.2712 2710.0360 0.0000 0.0000 52114.5189 -109417.5849 299.5029 -161532.1038 -109054.1164 299.0235 73.5727 100.4915 759012.6346 -1.2073 -0.9053 PRESSURE: 3958800 -402.112 -91.4256 75.7734 -91.4256 -101.635 -56.8401 75.7738 -56.8402 73.79 GPRESSURE: 3958800 -329.734 -103.92 137.845 23.1186 -44.6414 17.0779 -66.4439 -114.778 29.2276 PRESSAVG: 3958800 7.18407 -43.2077 -20.7023 -43.2077 -11.615 -23.2567 -20.7023 -23.2567 -1.9934 GPRESSAVG: 3958800 8.78794 -43.2289 -19.7268 -41.5119 -13.8959 -22.6802 -23.1059 -23.9483 -1.00025 TIMING: 3958800 CPU: 12518.1, 0.00315785/step Wall: 12518.1, 0.00315785/step, 0.913321 hours remaining, 238.414062 MB of memory in use. ENERGY: 3958800 3993.1438 20582.3341 14485.7479 262.3227 -203720.8365 2671.0227 0.0000 0.0000 52156.8901 -109569.3752 299.7464 -161726.2653 -109203.8209 299.0681 -143.3189 -115.0493 760310.8992 -2.1414 -2.0361 PRESSURE: 3959000 -41.6173 -200.553 -84.3919 -200.553 -174.224 211.8 -84.3927 211.8 73.8465 GPRESSURE: 3959000 -63.6431 -127.362 -98.873 -207.951 -93.8837 158.726 -59.8015 261.441 85.7741 PRESSAVG: 3959000 -27.0934 -16.1086 -12.3244 -16.1087 24.3097 8.23899 -12.3244 8.23891 8.32716 GPRESSAVG: 3959000 -27.1968 -15.7838 -13.0538 -16.4371 25.3759 10.3357 -11.0472 8.48136 7.34825 TIMING: 3959000 CPU: 12518.7, 0.00314079/step Wall: 12518.7, 0.00314079/step, 0.908212 hours remaining, 238.414062 MB of memory in use. ENERGY: 3959000 3966.9742 20497.2953 14418.0018 246.7007 -203659.9180 2733.4518 0.0000 0.0000 52063.1538 -109734.3403 299.2077 -161797.4942 -109371.7612 298.7724 -47.3317 -23.9176 759989.4361 1.8478 1.8424 PRESSURE: 3959200 63.1256 -91.3809 -37.0354 -91.3815 13.2479 -173.892 -37.0353 -173.893 -113.193 GPRESSURE: 3959200 123.838 -110.55 21.1992 167.06 8.23963 -90.2649 -187.429 -217.907 -98.5178 PRESSAVG: 3959200 -15.8632 -24.9605 -33.1436 -24.9605 25.683 -14.8796 -33.1436 -14.8796 -18.3377 GPRESSAVG: 3959200 -17.8217 -25.7043 -33.4641 -25.0301 25.7257 -16.6414 -34.8455 -12.8606 -16.5133 TIMING: 3959200 CPU: 12519.4, 0.00313891/step Wall: 12519.4, 0.00313891/step, 0.907494 hours remaining, 238.414062 MB of memory in use. ENERGY: 3959200 4028.1867 20475.2226 14351.6787 252.7659 -203525.9910 2589.7797 0.0000 0.0000 52092.7966 -109735.5609 299.3780 -161828.3575 -109379.0866 299.0948 -12.2733 11.1866 761467.4032 -2.8393 -2.8697 PRESSURE: 3959400 -112.859 44.1709 -357.399 44.1711 107.761 -180.127 -357.4 -180.127 155.745 GPRESSURE: 3959400 -104.086 14.4901 -389.368 42.3454 182.468 -130.939 -128.716 -93.1199 181.655 PRESSAVG: 3959400 -37.3381 -21.4991 -47.1288 -21.4991 26.8081 -50.1788 -47.1289 -50.1788 8.70101 GPRESSAVG: 3959400 -34.6801 -23.6762 -45.9901 -20.9373 25.5964 -51.0798 -46.1502 -50.7517 7.23768 TIMING: 3959400 CPU: 12520, 0.00314571/step Wall: 12520, 0.00314571/step, 0.909284 hours remaining, 238.414062 MB of memory in use. ENERGY: 3959400 3877.5718 20425.0696 14449.3836 245.4027 -203323.6649 2514.1232 0.0000 0.0000 51918.9082 -109893.2058 298.3787 -161812.1140 -109538.6440 298.2661 50.2156 86.6793 760578.3062 -0.6097 -0.6153 PRESSURE: 3959600 290.301 14.189 -75.1448 14.1891 89.6397 -126.673 -75.1444 -126.671 138.078 GPRESSURE: 3959600 318.668 7.46979 -71.9997 65.5995 167.61 -88.7118 -166.189 -114.387 135.191 PRESSAVG: 3959600 -40.2168 5.16044 -31.9316 5.16042 20.7658 -35.0917 -31.9316 -35.0916 15.7736 GPRESSAVG: 3959600 -41.0978 6.03484 -30.9996 3.76009 21.647 -34.1383 -32.2464 -34.8529 16.5159 TIMING: 3959600 CPU: 12520.6, 0.00316707/step Wall: 12520.6, 0.00316707/step, 0.915284 hours remaining, 238.414062 MB of memory in use. ENERGY: 3959600 4088.0950 20607.0904 14384.9711 228.8653 -203505.6237 2766.2334 0.0000 0.0000 51597.4238 -109832.9446 296.5311 -161430.3684 -109474.6594 298.2089 172.6729 207.1563 760730.9483 -1.2258 -0.9783 PRESSURE: 3959800 12.7793 59.7441 86.6055 59.7448 -58.4679 -161.258 86.6058 -161.259 -138.22 GPRESSURE: 3959800 78.2342 -4.51331 121.563 -20.5265 -70.8218 -239.64 247.329 -60.2673 -99.8768 PRESSAVG: 3959800 1.89214 -55.4113 36.6315 -55.4114 34.2869 -31.0197 36.6316 -31.0198 34.0118 GPRESSAVG: 3959800 2.95633 -57.0005 34.7201 -54.5391 33.5806 -31.7659 36.6947 -33.1188 33.23 TIMING: 3959800 CPU: 12521.3, 0.00316999/step Wall: 12521.3, 0.00316999/step, 0.915951 hours remaining, 238.414062 MB of memory in use. ENERGY: 3959800 3952.6134 20434.4355 14370.4892 243.6506 -203193.5777 2373.7768 0.0000 0.0000 52006.2699 -109812.3422 298.8807 -161818.6122 -109439.8383 298.8345 -61.3028 -30.8214 761544.4938 23.3969 23.2556 PRESSURE: 3960000 -70.1622 87.6517 -110.349 87.6516 104.407 54.8693 -110.349 54.8688 -229.181 GPRESSURE: 3960000 14.1689 62.1559 -102.494 85.1366 6.9551 121.01 60.81 102.334 -134.353 PRESSAVG: 3960000 21.0338 -32.2446 7.95187 -32.2446 -44.9656 -6.02868 7.95185 -6.0287 -17.3442 GPRESSAVG: 3960000 19.8452 -31.9208 7.74685 -34.02 -44.4068 -6.05063 8.78812 -3.47374 -16.5357 TIMING: 3960000 CPU: 12521.9, 0.00316229/step Wall: 12521.9, 0.00316229/step, 0.91355 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3960000 3974.4745 20475.8108 14488.2892 239.2641 -203746.4034 2726.4352 0.0000 0.0000 51921.5475 -109920.5822 298.3938 -161842.1297 -109572.4712 298.5278 -64.9790 -37.7431 760906.6453 -13.7586 -13.6991 PRESSURE: 3960200 -152.817 24.6368 -153.183 24.636 178.499 171.654 -153.183 171.656 -343.673 GPRESSURE: 3960200 -136.11 31.953 -184.668 -120.683 282.647 237.563 -276.217 -13.1743 -372.915 PRESSAVG: 3960200 -2.05907 -59.7613 -0.551919 -59.7613 0.48094 16.2304 -0.551966 16.2304 -1.8445 GPRESSAVG: 3960200 -1.70965 -59.0202 1.18312 -58.8524 0.978187 16.78 -3.26413 14.4888 -2.80956 TIMING: 3960200 CPU: 12522.5, 0.00316317/step Wall: 12522.5, 0.00316317/step, 0.91363 hours remaining, 238.414062 MB of memory in use. ENERGY: 3960200 4007.2225 20478.7838 14423.0507 238.3436 -203541.2161 2795.9525 0.0000 0.0000 51700.9751 -109896.8879 297.1262 -161597.8630 -109539.0836 298.6711 -105.9971 -75.4591 759434.0719 -1.1409 -1.1803 LDB: ============= START OF LOAD BALANCING ============== 12534.9 LDB: ============== END OF LOAD BALANCING =============== 12534.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12534.9 LDB: ============= START OF LOAD BALANCING ============== 12535.2 LDB: Largest compute 7068 load 0.035172 is 17.9% of average load 0.196056 LDB: Average compute 0.004392 is 2.2% of average load 0.196056 LDB: TIME 12535.2 LOAD: AVG 0.196056 MAX 0.215285 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.957 MB LDB: TIME 12535.2 LOAD: AVG 0.196056 MAX 0.215285 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: TIME 12535.2 LOAD: AVG 0.196056 MAX 0.215285 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: ============== END OF LOAD BALANCING =============== 12535.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12535.3 PRESSURE: 3960400 -192.247 -85.9858 1.53475 -85.9863 144.046 52.353 1.53392 52.3522 -201.378 GPRESSURE: 3960400 -193.264 -197.784 -72.7304 -26.4484 163.658 110.339 -10.4475 99.5457 -140.711 PRESSAVG: 3960400 17.688 -25.9774 -21.3731 -25.9774 -22.8903 -3.75905 -21.3731 -3.7591 11.3946 GPRESSAVG: 3960400 16.9391 -26.3041 -23.3372 -24.733 -23.5618 -4.45702 -20.4025 -2.38123 12.3413 TIMING: 3960400 CPU: 12523.2, 0.00323071/step Wall: 12523.2, 0.00323071/step, 0.932958 hours remaining, 238.992188 MB of memory in use. ENERGY: 3960400 3977.8600 20371.7972 14434.6997 248.4295 -203053.5581 2287.1016 0.0000 0.0000 51762.9815 -109970.6886 297.4826 -161733.6701 -109600.0466 298.1595 -83.1928 -56.7725 762746.2547 2.0641 1.9062 PRESSURE: 3960600 -273.797 47.7851 -30.0093 47.7851 -351.343 389.096 -30.009 389.096 -141.349 GPRESSURE: 3960600 -257.165 51.6142 -94.3044 -48.7353 -310.349 262.837 30.9724 308.22 -127.182 PRESSAVG: 3960600 -31.9843 -19.3936 -23.9326 -19.3936 20.4605 15.2964 -23.9326 15.2965 -0.594363 GPRESSAVG: 3960600 -31.3564 -20.6607 -23.6722 -20.1487 20.1785 14.3068 -23.6883 16.0349 -1.02041 TIMING: 3960600 CPU: 12523.8, 0.00315454/step Wall: 12523.8, 0.00315454/step, 0.910786 hours remaining, 239.195312 MB of memory in use. ENERGY: 3960600 3948.3878 20402.4938 14541.2424 251.7217 -203733.0877 2918.4742 0.0000 0.0000 51932.3904 -109738.3774 298.4562 -161670.7678 -109383.9323 298.1977 -255.4963 -231.5655 761637.2791 -4.0394 -4.0661 PRESSURE: 3960800 161.745 9.65244 191.08 9.65197 -117.736 115.599 191.081 115.599 -162.837 GPRESSURE: 3960800 184.688 49.6561 142.375 41.4745 -97.6142 177.801 227.299 85.3388 -92.9843 PRESSAVG: 3960800 10.7194 7.04874 11.0792 7.04874 -12.509 31.375 11.0793 31.3749 -4.53608 GPRESSAVG: 3960800 9.92806 9.58198 13.0817 6.68783 -12.5672 32.6698 12.8481 29.3989 -4.2573 TIMING: 3960800 CPU: 12524.4, 0.00315704/step Wall: 12524.4, 0.00315704/step, 0.911332 hours remaining, 239.195312 MB of memory in use. ENERGY: 3960800 3944.6898 20453.4332 14461.0765 247.6103 -203463.8576 2723.2164 0.0000 0.0000 52082.9636 -109550.8679 299.3215 -161633.8315 -109194.4068 298.9140 -39.6091 -1.9701 761300.1477 -2.1086 -2.2988 PRESSURE: 3961000 -392.266 53.8867 37.4156 53.8871 12.1649 -118.246 37.4152 -118.246 138.941 GPRESSURE: 3961000 -246.489 -7.26362 32.4396 108.653 -50.6731 -117.632 67.1316 -188.327 129.857 PRESSAVG: 3961000 -57.3312 15.8782 25.2076 15.8781 0.122808 44.5713 25.2076 44.5713 -4.00617 GPRESSAVG: 3961000 -56.8514 15.9534 24.8958 14.9088 0.279238 43.4129 25.1373 46.3319 -4.64632 TIMING: 3961000 CPU: 12525.1, 0.0031716/step Wall: 12525.1, 0.0031716/step, 0.91536 hours remaining, 239.195312 MB of memory in use. ENERGY: 3961000 4026.6025 20384.2024 14453.3255 255.5641 -203514.6093 2887.6838 0.0000 0.0000 51730.4885 -109776.7426 297.2958 -161507.2311 -109417.5031 298.3556 -80.3868 -55.7685 761191.6729 -20.4049 -20.4062 PRESSURE: 3961200 295.987 195.711 202.237 195.71 -30.7303 -144.923 202.236 -144.922 661.692 GPRESSURE: 3961200 271.909 91.3383 145.513 150.72 44.6445 -158.404 152.847 -78.3737 697.629 PRESSAVG: 3961200 18.9814 -6.91958 -34.7153 -6.91955 -5.63115 -43.4113 -34.7154 -43.4112 26.9234 GPRESSAVG: 3961200 18.4175 -6.924 -35.2221 -4.79593 -6.24028 -41.7204 -36.124 -44.7698 28.4691 TIMING: 3961200 CPU: 12525.7, 0.00315448/step Wall: 12525.7, 0.00315448/step, 0.910242 hours remaining, 239.195312 MB of memory in use. ENERGY: 3961200 4011.3224 20324.9069 14453.8971 242.2216 -203603.3493 2943.6779 0.0000 0.0000 51888.4109 -109738.9125 298.2034 -161627.3235 -109381.1074 298.1676 308.9829 338.0608 760057.3552 13.4246 13.5488 PRESSURE: 3961400 84.4072 -50.7435 116.028 -50.7434 202.606 69.6814 116.027 69.682 380.087 GPRESSURE: 3961400 137.478 47.9514 52.1074 0.089971 208.554 94.8696 107.826 93.1665 364.627 PRESSAVG: 3961400 -31.9919 10.0401 -26.3538 10.0402 -4.41574 14.39 -26.3538 14.39 24.5648 GPRESSAVG: 3961400 -31.4046 9.08213 -24.2878 9.50123 -3.15974 12.2627 -25.2514 13.573 22.4635 TIMING: 3961400 CPU: 12526.3, 0.00316074/step Wall: 12526.3, 0.00316074/step, 0.911873 hours remaining, 239.195312 MB of memory in use. ENERGY: 3961400 3997.1649 20487.7538 14423.5743 243.4424 -203646.0146 2887.4076 0.0000 0.0000 52170.0722 -109436.5995 299.8221 -161606.6716 -109076.0078 298.8891 222.3668 236.8864 760477.0898 -3.9476 -4.0336 PRESSURE: 3961600 256.11 -42.6497 33.6104 -42.6495 218.083 -93.3482 33.6106 -93.3479 -119.489 GPRESSURE: 3961600 288.303 6.86505 -83.402 86.4947 195.051 1.82288 267.39 -150.906 -53.4176 PRESSAVG: 3961600 -51.3262 -30.1975 27.8793 -30.1975 18.7103 6.015 27.8793 6.01503 -18.3313 GPRESSAVG: 3961600 -50.8874 -28.2406 24.0537 -29.4075 17.1498 5.41857 26.7634 7.8595 -17.088 TIMING: 3961600 CPU: 12527, 0.00315908/step Wall: 12527, 0.00315908/step, 0.91122 hours remaining, 239.195312 MB of memory in use. ENERGY: 3961600 3943.4454 20387.2350 14423.9172 240.3147 -203464.5859 2800.2473 0.0000 0.0000 51956.4145 -109713.0117 298.5942 -161669.4262 -109342.1926 299.0135 118.2348 143.3121 761293.6698 -16.9824 -16.9419 PRESSURE: 3961800 -135.495 -64.6108 -178.801 -64.6128 -272.086 92.3408 -178.801 92.341 -392.3 GPRESSURE: 3961800 -160.369 -71.8585 -247.482 -124.196 -208.74 -18.4058 -97.1862 -52.4263 -359.19 PRESSAVG: 3961800 34.2946 16.0459 15.1686 16.0459 -34.775 41.7233 15.1686 41.7233 8.19069 GPRESSAVG: 3961800 34.2405 15.8914 16.575 15.6739 -35.0816 41.98 15.9874 42.0031 8.95243 TIMING: 3961800 CPU: 12527.6, 0.00315468/step Wall: 12527.6, 0.00315468/step, 0.909775 hours remaining, 239.195312 MB of memory in use. ENERGY: 3961800 3994.9777 20685.2059 14391.1150 265.6022 -203329.0264 2454.4058 0.0000 0.0000 51692.5775 -109845.1422 297.0780 -161537.7198 -109489.0722 298.1901 -266.6270 -242.7667 761504.1681 2.5701 2.7038 PRESSURE: 3962000 231.073 -79.9396 215.053 -79.9389 55.2748 31.5495 215.053 31.5481 74.8927 GPRESSURE: 3962000 390.037 -156.387 258.555 -146.861 -38.3054 70.2462 254.137 157.898 95.3153 PRESSAVG: 3962000 2.96045 -24.7447 15.1938 -24.7448 71.4833 14.1341 15.1938 14.1341 -5.06121 GPRESSAVG: 3962000 2.98568 -28.7431 15.2869 -23.3452 71.313 15.0416 14.7332 13.0965 -5.11507 TIMING: 3962000 CPU: 12528.2, 0.00317135/step Wall: 12528.2, 0.00317135/step, 0.914405 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3962000 3984.0870 20410.3339 14412.6362 251.9510 -203641.5554 2766.5488 0.0000 0.0000 51928.2104 -109887.7881 298.4321 -161815.9985 -109527.7677 298.2303 120.4134 149.0157 759662.7695 23.1275 23.0612 PRESSURE: 3962200 266.394 13.8697 24.5715 13.8696 87.0237 -64.7536 24.5708 -64.7543 -53.7662 GPRESSURE: 3962200 249.809 -29.8246 60.401 -90.0635 55.1467 -28.3197 -58.6756 11.6694 90.1992 PRESSAVG: 3962200 -21.8628 10.3458 61.7807 10.3458 29.2117 49.5431 61.7807 49.5431 1.09699 GPRESSAVG: 3962200 -22.5816 11.5676 62.0078 9.95034 30.0767 48.7065 61.0975 49.8001 0.790584 TIMING: 3962200 CPU: 12528.9, 0.00316961/step Wall: 12528.9, 0.00316961/step, 0.913729 hours remaining, 239.195312 MB of memory in use. ENERGY: 3962200 3959.6391 20439.2808 14391.5760 234.7767 -203503.5101 2569.2447 0.0000 0.0000 51899.8572 -110009.1356 298.2692 -161908.9928 -109640.5302 298.1391 99.8839 131.7185 758912.6876 2.8153 2.7619 PRESSURE: 3962400 70.4348 -144.638 58.1051 -144.638 -132.594 -64.9199 58.1054 -64.9214 -163.574 GPRESSURE: 3962400 16.4379 -119.103 133.112 -79.1725 19.4759 -90.4084 -71.7318 14.0986 -189.147 PRESSAVG: 3962400 -4.63946 4.41748 -25.3427 4.41746 52.0921 38.9369 -25.3427 38.9369 -4.02743 GPRESSAVG: 3962400 -4.21505 7.27533 -24.9464 4.52337 51.5422 40.8022 -24.901 38.6375 -3.89767 TIMING: 3962400 CPU: 12529.5, 0.00315047/step Wall: 12529.5, 0.00315047/step, 0.908036 hours remaining, 239.195312 MB of memory in use. ENERGY: 3962400 3997.0541 20422.5619 14402.8084 248.2722 -203617.3785 2818.6839 0.0000 0.0000 51779.0141 -109948.9839 297.5747 -161727.9980 -109593.9444 298.2127 -75.2444 -51.0778 759239.9993 14.4751 14.4765 PRESSURE: 3962600 -141.438 217.05 65.5246 217.051 33.9054 -74.6703 65.5246 -74.671 226.225 GPRESSURE: 3962600 -59.3075 191.278 4.43582 203.851 79.9032 -96.3432 115.825 -82.9939 180.826 PRESSAVG: 3962600 -23.8902 27.2118 -10.673 27.2118 -5.33991 45.7036 -10.673 45.7036 10.9889 GPRESSAVG: 3962600 -24.3257 24.7354 -11.6304 29.7043 -3.49776 44.7197 -11.3442 45.6015 9.67728 TIMING: 3962600 CPU: 12530.1, 0.00315551/step Wall: 12530.1, 0.00315551/step, 0.909312 hours remaining, 239.195312 MB of memory in use. ENERGY: 3962600 3962.7807 20457.0702 14411.4098 242.7936 -203502.7038 2629.6928 0.0000 0.0000 52158.4941 -109640.4626 299.7556 -161798.9567 -109265.4511 298.5276 39.5641 67.1405 759345.2915 -6.0804 -6.0487 PRESSURE: 3962800 85.9079 -96.477 88.7773 -96.4765 -92.9041 231.084 88.778 231.084 -7.63404 GPRESSURE: 3962800 113.915 -116.162 176.217 -100.878 5.33836 165.243 76.6078 266.265 -44.9744 PRESSAVG: 3962800 -26.4326 -59.7184 -8.3636 -59.7183 2.77331 27.1642 -8.3636 27.1642 -7.36496 GPRESSAVG: 3962800 -26.247 -60.072 -7.65878 -60.6196 2.81119 26.8909 -9.09505 27.6583 -7.60406 TIMING: 3962800 CPU: 12530.8, 0.00316508/step Wall: 12530.8, 0.00316507/step, 0.911893 hours remaining, 239.195312 MB of memory in use. ENERGY: 3962800 3995.4441 20542.1132 14390.7042 270.0561 -203273.1471 2663.7559 0.0000 0.0000 51869.1226 -109541.9510 298.0926 -161411.0735 -109172.8109 299.1072 -4.8767 24.7595 761102.7471 -10.3414 -10.3466 PRESSURE: 3963000 158.002 253.788 -61.5518 253.788 74.0229 61.9046 -61.5516 61.9037 93.8896 GPRESSURE: 3963000 203.52 94.9979 14.0501 232.684 160.882 37.1183 -111.367 74.8348 42.9621 PRESSAVG: 3963000 -2.5568 11.3381 3.18852 11.3381 19.2423 45.3664 3.18847 45.3663 25.418 GPRESSAVG: 3963000 -2.31162 13.5602 3.89189 5.8728 17.8076 44.3924 2.49365 44.5343 26.9653 TIMING: 3963000 CPU: 12531.4, 0.00318369/step Wall: 12531.4, 0.00318369/step, 0.917081 hours remaining, 239.195312 MB of memory in use. ENERGY: 3963000 3991.2065 20414.5154 14443.0741 238.1281 -203287.6288 2516.6057 0.0000 0.0000 52018.6983 -109665.4008 298.9522 -161684.0991 -109297.6962 299.2449 108.6381 135.7880 760659.9050 14.0345 14.1537 PRESSURE: 3963200 29.0154 231.261 133.075 231.262 -93.2402 -22.1988 133.075 -22.2003 -202.152 GPRESSURE: 3963200 40.869 179.199 89.1129 299.268 -65.5933 -59.7263 73.8148 74.1408 -158.107 PRESSAVG: 3963200 20.7243 -18.9301 -14.3772 -18.93 -41.4802 -61.2585 -14.3771 -61.2585 15.6514 GPRESSAVG: 3963200 20.98 -20.1692 -15.0003 -15.5637 -40.6265 -59.3906 -12.5441 -60.5842 14.9924 TIMING: 3963200 CPU: 12532, 0.00318279/step Wall: 12532, 0.00318279/step, 0.916643 hours remaining, 239.195312 MB of memory in use. ENERGY: 3963200 4011.2694 20393.7673 14369.4904 245.8037 -203333.9834 2603.4925 0.0000 0.0000 51946.3876 -109763.7725 298.5366 -161710.1601 -109399.0580 298.7382 -88.7924 -60.9438 761657.2302 -1.7015 -1.5513 PRESSURE: 3963400 138.406 -262.833 30.5288 -262.833 58.3822 -152.5 30.5283 -152.499 124.121 GPRESSURE: 3963400 144.714 -251.662 89.6995 -255.736 45.1025 -49.669 67.6126 -112.142 201.318 PRESSAVG: 3963400 42.7215 16.6217 -20.4735 16.6217 -31.7697 -22.3374 -20.4735 -22.3375 -28.1886 GPRESSAVG: 3963400 40.9225 16.3729 -19.3276 16.4277 -31.8406 -21.7284 -23.1836 -22.161 -26.6071 TIMING: 3963400 CPU: 12532.7, 0.00316944/step Wall: 12532.7, 0.00316944/step, 0.912623 hours remaining, 239.195312 MB of memory in use. ENERGY: 3963400 3937.0557 20437.5403 14420.2255 243.9140 -203392.0230 2625.7901 0.0000 0.0000 52022.7549 -109704.7424 298.9755 -161727.4974 -109356.8385 298.7361 106.9699 130.3781 760062.7276 -5.7456 -5.8417 PRESSURE: 3963600 -3.3623 216.485 156.614 216.485 10.1822 -68.0292 156.614 -68.0292 2.14632 GPRESSURE: 3963600 44.0905 197.507 139.178 163.33 85.0721 -52.137 122.231 -134.584 -29.0141 PRESSAVG: 3963600 52.6401 37.9861 9.38839 37.9861 -17.4266 1.57669 9.38841 1.57669 21.4207 GPRESSAVG: 3963600 51.5828 38.1102 8.91923 36.4523 -16.043 0.525379 11.5127 0.46991 21.1985 TIMING: 3963600 CPU: 12533.3, 0.00317325/step Wall: 12533.3, 0.00317325/step, 0.913545 hours remaining, 239.195312 MB of memory in use. ENERGY: 3963600 3907.4826 20419.8455 14380.9367 257.0081 -203131.2529 2414.6540 0.0000 0.0000 52054.0762 -109697.2497 299.1555 -161751.3260 -109341.0614 299.1277 2.9887 33.3828 761474.7321 18.8781 18.9127 PRESSURE: 3963800 -272.439 108.701 -1.19452 108.7 -112.34 -163.46 -1.19328 -163.46 -86.794 GPRESSURE: 3963800 -249.513 85.9354 12.2082 115.949 -32.332 -4.52279 -92.0872 -164.941 -94.5107 PRESSAVG: 3963800 22.8737 59.7285 11.197 59.7286 -11.0885 -0.174711 11.1969 -0.174732 -11.8245 GPRESSAVG: 3963800 24.2154 58.5253 11.0265 62.4381 -12.7107 1.42957 8.8909 2.55993 -11.4555 TIMING: 3963800 CPU: 12533.9, 0.00320356/step Wall: 12533.9, 0.00320356/step, 0.922091 hours remaining, 239.195312 MB of memory in use. ENERGY: 3963800 4037.0420 20499.4188 14422.1172 226.0764 -203212.3299 2554.9086 0.0000 0.0000 51854.2933 -109618.4737 298.0073 -161472.7669 -109262.9845 299.1281 -157.1911 -125.4520 761836.6001 -0.0131 0.0164 PRESSURE: 3964000 228.871 123.494 237.267 123.494 -95.2726 -99.1028 237.267 -99.1028 326.299 GPRESSURE: 3964000 311.801 146.618 214.166 149.807 -81.7345 -52.0803 206.622 -162.984 303.916 PRESSAVG: 3964000 35.7961 36.4954 3.27685 36.4954 -30.6091 14.8989 3.27691 14.8989 2.9951 GPRESSAVG: 3964000 35.5081 37.97 1.98449 36.0891 -29.335 13.984 6.09752 13.0114 1.85379 TIMING: 3964000 CPU: 12534.6, 0.00316503/step Wall: 12534.6, 0.00316503/step, 0.910824 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3964000 3924.7689 20501.7121 14394.4258 225.1921 -203430.0765 2505.9984 0.0000 0.0000 52238.6478 -109639.3315 300.2162 -161877.9793 -109281.7644 298.9447 153.2991 177.9940 761177.8485 2.7274 2.6756 PRESSURE: 3964200 -31.1779 -0.27388 162.836 -0.273251 45.112 89.2743 162.836 89.2738 -228.178 GPRESSURE: 3964200 56.5414 -9.73157 13.3148 43.2901 -52.5598 122.567 150.277 86.8558 -130.576 PRESSAVG: 3964200 22.9058 0.171733 5.93083 0.171748 -59.4911 -2.99882 5.93085 -2.99881 13.3425 GPRESSAVG: 3964200 23.0297 -0.191751 5.25458 0.669847 -60.869 -2.90122 4.97703 -3.63828 14.6463 TIMING: 3964200 CPU: 12535.2, 0.0031648/step Wall: 12535.2, 0.0031648/step, 0.910584 hours remaining, 239.195312 MB of memory in use. ENERGY: 3964200 3940.0962 20560.6054 14429.4916 260.9453 -203083.8581 2380.4623 0.0000 0.0000 51802.1302 -109710.1271 297.7076 -161512.2573 -109350.5618 299.2550 -71.4146 -42.1983 762735.7400 -7.7476 -7.7310 LDB: ============= START OF LOAD BALANCING ============== 12547.6 LDB: ============== END OF LOAD BALANCING =============== 12547.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12547.6 LDB: ============= START OF LOAD BALANCING ============== 12547.9 LDB: Largest compute 7068 load 0.032087 is 16.4% of average load 0.196091 LDB: Average compute 0.004361 is 2.2% of average load 0.196091 LDB: TIME 12547.9 LOAD: AVG 0.196091 MAX 0.220171 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 12547.9 LOAD: AVG 0.196091 MAX 0.220171 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 12547.9 LOAD: AVG 0.196091 MAX 0.217836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 12547.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12547.9 PRESSURE: 3964400 -128.336 193.951 -55.0829 193.951 -3.81181 123.167 -55.0821 123.167 -240.656 GPRESSURE: 3964400 -98.0216 127.24 -99.3091 119.915 66.3106 -7.63402 100.112 160.755 -248.729 PRESSAVG: 3964400 15.2049 -2.80187 12.8434 -2.80189 -42.788 13.3326 12.8434 13.3326 -17.9295 GPRESSAVG: 3964400 15.7311 -3.41582 14.402 -4.5392 -42.7775 10.2226 14.7371 14.7403 -19.2497 TIMING: 3964400 CPU: 12535.9, 0.00324824/step Wall: 12535.9, 0.00324824/step, 0.93441 hours remaining, 238.613281 MB of memory in use. ENERGY: 3964400 4015.8926 20433.4775 14451.6431 240.0494 -203628.7339 2838.0579 0.0000 0.0000 52078.3014 -109571.3120 299.2947 -161649.6134 -109213.1662 298.9306 -124.2681 -93.4799 760087.5174 -15.1709 -15.4320 PRESSURE: 3964600 235.611 335.597 130.314 335.597 220.401 -0.968505 130.315 -0.968735 -472.673 GPRESSURE: 3964600 243.1 261.665 79.1346 309.623 237.864 -76.0765 89.1467 -86.4118 -392.152 PRESSAVG: 3964600 -57.7436 3.67556 2.35895 3.67552 58.5329 -42.1662 2.35904 -42.1662 11.6243 GPRESSAVG: 3964600 -57.3057 3.57887 1.71581 3.53766 58.0251 -40.6713 -0.689561 -42.4276 12.5029 TIMING: 3964600 CPU: 12536.5, 0.0031905/step Wall: 12536.5, 0.0031905/step, 0.917623 hours remaining, 238.613281 MB of memory in use. ENERGY: 3964600 3996.4234 20543.9804 14438.6216 259.8182 -203363.3805 2655.7896 0.0000 0.0000 51957.2756 -109511.4717 298.5992 -161468.7473 -109141.0405 299.0425 -5.5533 29.6038 759976.4351 4.1379 4.4074 PRESSURE: 3964800 -68.5337 2.49268 50.1953 2.49185 -323.961 37.3848 50.1945 37.3856 -107.501 GPRESSURE: 3964800 -78.2782 76.21 22.3189 52.6064 -309.669 16.8208 206.186 32.4287 -26.7285 PRESSAVG: 3964800 -7.67344 26.4627 20.4654 26.4627 5.87406 -30.1577 20.4654 -30.1577 21.0028 GPRESSAVG: 3964800 -8.05021 27.7687 20.7191 27.4999 6.95709 -30.8628 21.904 -29.1636 20.954 TIMING: 3964800 CPU: 12537.1, 0.00316414/step Wall: 12537.1, 0.00316414/step, 0.909865 hours remaining, 238.613281 MB of memory in use. ENERGY: 3964800 4036.5101 20517.1706 14382.9877 257.5557 -202684.8680 2235.6149 0.0000 0.0000 51917.3786 -109337.6503 298.3699 -161255.0289 -108986.2217 299.2985 -166.6651 -138.2253 762182.5211 6.4011 6.6203 PRESSURE: 3965000 -4.18556 48.0562 -254.767 48.0556 -175.881 154.329 -254.767 154.329 77.4548 GPRESSURE: 3965000 58.6295 50.4197 -293.472 17.3239 -75.0127 150.815 -127.557 41.4807 -11.7981 PRESSAVG: 3965000 -0.944431 4.80885 -29.6476 4.80886 -53.4082 19.9215 -29.6476 19.9215 1.15052 GPRESSAVG: 3965000 -0.765228 4.44134 -30.5392 3.43199 -52.1472 20.4874 -28.3082 19.6435 0.19947 TIMING: 3965000 CPU: 12537.8, 0.00317292/step Wall: 12537.8, 0.00317292/step, 0.912213 hours remaining, 238.613281 MB of memory in use. ENERGY: 3965000 3968.8645 20426.6065 14395.0676 243.5607 -202658.7467 2177.3044 0.0000 0.0000 52092.6162 -109354.7268 299.3770 -161447.3431 -108975.7358 299.3238 -34.2039 -9.3937 763892.1773 -17.7340 -17.5710 PRESSURE: 3965200 136.332 -229.235 116.779 -229.236 84.9428 -3.99976 116.778 -3.99982 43.0525 GPRESSURE: 3965200 167.027 -173.133 24.951 -259.379 62.8032 -30.5947 280.776 -35.2641 108.373 PRESSAVG: 3965200 76.1866 -11.5882 0.833698 -11.5882 -22.9494 -11.6155 0.833695 -11.6154 41.3336 GPRESSAVG: 3965200 76.282 -9.03429 -0.32576 -10.0128 -23.7157 -11.2376 0.911152 -13.2216 42.1699 TIMING: 3965200 CPU: 12538.4, 0.00316957/step Wall: 12538.4, 0.00316957/step, 0.911074 hours remaining, 238.613281 MB of memory in use. ENERGY: 3965200 3919.7146 20478.5880 14415.4522 252.0509 -202884.5715 2415.5987 0.0000 0.0000 51997.4258 -109405.7413 298.8299 -161403.1671 -109042.5487 299.2974 88.1090 112.7344 762825.8351 31.5236 31.5787 PRESSURE: 3965400 -67.9204 -175.426 145.986 -175.426 -128.438 -214.032 145.986 -214.03 -284.394 GPRESSURE: 3965400 -31.2635 -192.546 124.161 -127.911 -120.296 -202.543 125.558 -151.177 -240.244 PRESSAVG: 3965400 21.9582 19.9592 5.17779 19.9592 -2.8976 12.5895 5.17781 12.5895 -11.301 GPRESSAVG: 3965400 21.5033 17.8742 5.77276 21.5187 -2.11364 11.5132 4.76412 14.4599 -10.783 TIMING: 3965400 CPU: 12539, 0.00317784/step Wall: 12539, 0.00317784/step, 0.913275 hours remaining, 238.613281 MB of memory in use. ENERGY: 3965400 3860.6862 20512.4022 14363.5597 238.5297 -202931.9371 2430.4718 0.0000 0.0000 52319.8377 -109206.4498 300.6828 -161526.2875 -108853.2000 299.7270 -160.2506 -130.6013 761163.0173 2.5865 2.8689 PRESSURE: 3965600 -59.2586 -69.2737 -217.665 -69.2735 96.069 15.2948 -217.665 15.2954 68.8337 GPRESSURE: 3965600 47.6982 -162.665 -182.664 -89.756 71.6411 -17.8197 -149.873 94.1378 72.6409 PRESSAVG: 3965600 -18.742 -49.3253 -61.8789 -49.3253 29.7516 8.90137 -61.8789 8.9014 5.48853 GPRESSAVG: 3965600 -17.6687 -49.1685 -61.2663 -51.5078 29.3335 10.8817 -62.4142 8.26367 5.08081 TIMING: 3965600 CPU: 12539.7, 0.00319525/step Wall: 12539.7, 0.00319525/step, 0.918101 hours remaining, 238.613281 MB of memory in use. ENERGY: 3965600 3930.2936 20415.5918 14382.8335 249.3654 -202972.0320 2447.3729 0.0000 0.0000 52313.9606 -109232.6143 300.6491 -161546.5749 -108865.8936 300.0207 35.2147 63.9934 760714.5719 5.4994 5.5819 PRESSURE: 3965800 -10.2236 276.937 2.55277 276.938 142.195 250.491 2.55237 250.492 -190.025 GPRESSURE: 3965800 -10.9784 250.054 96.9875 101.912 162.584 339.97 19.4798 138.505 -108.27 PRESSAVG: 3965800 -12.0516 -5.63779 3.78844 -5.63775 67.4604 -18.1349 3.78838 -18.1348 -5.59449 GPRESSAVG: 3965800 -12.3457 -6.14332 4.41845 -6.18115 67.5993 -18.0044 4.17741 -18.6821 -5.49594 TIMING: 3965800 CPU: 12540.3, 0.00318362/step Wall: 12540.3, 0.00318362/step, 0.914583 hours remaining, 238.613281 MB of memory in use. ENERGY: 3965800 3970.3249 20620.2799 14390.4236 231.3592 -203394.7240 2562.6582 0.0000 0.0000 52118.0553 -109501.6229 299.5232 -161619.6782 -109147.1315 299.6035 -19.3513 14.4452 761038.8237 16.6048 16.5859 PRESSURE: 3966000 54.869 94.4961 -198.995 94.496 33.4838 -96.6952 -198.995 -96.6974 -223.228 GPRESSURE: 3966000 157.991 165.442 -154.611 156.961 24.967 -62.8342 -153.148 -28.3486 -227.512 PRESSAVG: 3966000 6.97186 -7.41225 -36.4618 -7.41227 16.7769 -39.362 -36.4618 -39.362 -5.35762 GPRESSAVG: 3966000 7.03283 -6.85288 -36.8782 -5.19736 16.9138 -40.5183 -34.4252 -38.7462 -5.55894 TIMING: 3966000 CPU: 12540.9, 0.00317523/step Wall: 12540.9, 0.00317523/step, 0.911998 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3966000 4024.8284 20444.6472 14439.5857 255.1779 -202644.2700 2256.3709 0.0000 0.0000 52140.0464 -109083.6136 299.6496 -161223.6600 -108726.5945 299.1753 -44.9585 -14.8513 762222.6607 6.1304 6.1292 PRESSURE: 3966200 208.51 141.473 -259.875 141.473 121.215 -226.562 -259.875 -226.562 -126.745 GPRESSURE: 3966200 250.43 133.145 -316.601 151.286 108.973 -189.041 -129.013 -132.294 -66.7915 PRESSAVG: 3966200 -10.0467 1.95878 -15.6156 1.9588 -0.962836 -12.5241 -15.6156 -12.5241 13.2659 GPRESSAVG: 3966200 -9.40387 0.519184 -14.5513 0.647977 -1.83132 -12.2371 -17.3485 -11.6389 13.5316 TIMING: 3966200 CPU: 12541.6, 0.00319467/step Wall: 12541.6, 0.00319467/step, 0.917403 hours remaining, 238.613281 MB of memory in use. ENERGY: 3966200 3990.0470 20411.8735 14377.6338 260.0315 -202649.7423 2337.7084 0.0000 0.0000 52161.6392 -109110.8089 299.7737 -161272.4481 -108742.4545 300.3135 67.6600 97.5370 762635.1523 0.7521 0.7655 PRESSURE: 3966400 154.76 254.516 253.178 254.516 -23.555 -16.8854 253.177 -16.8857 337.558 GPRESSURE: 3966400 219.589 339.615 217.261 308.208 23.4562 99.0548 222.426 -91.1877 311.117 PRESSAVG: 3966400 58.6764 27.3715 -45.5488 27.3715 -51.0594 -4.38313 -45.5488 -4.38313 17.8364 GPRESSAVG: 3966400 57.8397 29.9176 -46.9296 27.4022 -49.2734 -2.73425 -44.5385 -7.12176 17.0598 TIMING: 3966400 CPU: 12542.2, 0.00317451/step Wall: 12542.2, 0.00317451/step, 0.911436 hours remaining, 238.613281 MB of memory in use. ENERGY: 3966400 4027.4599 20630.0310 14402.3906 231.2752 -202615.7661 2324.6931 0.0000 0.0000 52118.3723 -108881.5439 299.5250 -160999.9163 -108524.7381 300.4639 156.2544 184.7207 761883.0719 8.4844 8.5420 PRESSURE: 3966600 -458.569 67.9231 -107.481 67.9239 -141.331 196.78 -107.48 196.78 129.596 GPRESSURE: 3966600 -336.185 21.9836 -62.9626 73.5099 -200.143 205.568 -122.789 69.6951 153.655 PRESSAVG: 3966600 0.680241 39.6997 -0.269173 39.6997 26.9665 -25.3903 -0.269149 -25.3903 -15.517 GPRESSAVG: 3966600 0.856009 38.1411 1.69203 40.692 27.3367 -26.7748 -3.51724 -24.3006 -15.8823 TIMING: 3966600 CPU: 12542.8, 0.00319481/step Wall: 12542.8, 0.00319481/step, 0.917087 hours remaining, 238.613281 MB of memory in use. ENERGY: 3966600 4079.2603 20590.6464 14350.9667 250.8370 -203197.7479 2579.9684 0.0000 0.0000 52208.3940 -109137.6752 300.0424 -161346.0691 -108759.2542 300.1187 -156.7681 -127.5580 761879.3507 4.0433 4.1035 PRESSURE: 3966800 203.762 100.332 -130.636 100.332 159.838 -504.34 -130.635 -504.34 -240.303 GPRESSURE: 3966800 230.188 95.6502 -103.364 171.531 105.656 -431.737 -165.434 -400.85 -132.819 PRESSAVG: 3966800 -36.3905 16.2186 -12.4258 16.2186 67.3235 5.05291 -12.4258 5.05288 6.02592 GPRESSAVG: 3966800 -36.9183 16.2019 -13.7074 15.9368 66.0427 7.67918 -11.1571 4.66047 8.19955 TIMING: 3966800 CPU: 12543.5, 0.00319687/step Wall: 12543.5, 0.00319687/step, 0.917502 hours remaining, 238.613281 MB of memory in use. ENERGY: 3966800 3962.4909 20564.4809 14403.0911 263.9336 -203174.9865 2401.5968 0.0000 0.0000 52181.2097 -109398.1835 299.8861 -161579.3931 -109047.8345 299.8139 41.0992 67.6750 761677.4311 12.3197 12.4413 PRESSURE: 3967000 570.89 -26.0101 -25.1287 -26.01 -60.4707 -190.729 -25.1281 -190.729 25.816 GPRESSURE: 3967000 504.378 11.0519 37.2978 -97.5648 54.7281 -209.511 -70.0261 -149.151 70.7283 PRESSAVG: 3967000 18.9121 43.1089 -37.1903 43.1088 -27.7681 -26.7459 -37.1903 -26.7459 10.8769 GPRESSAVG: 3967000 20.092 43.7949 -36.9854 42.6098 -26.1807 -28.3193 -35.7965 -26.8005 8.4016 TIMING: 3967000 CPU: 12544.1, 0.00320812/step Wall: 12544.1, 0.00320812/step, 0.920551 hours remaining, 238.613281 MB of memory in use. ENERGY: 3967000 3958.4813 20407.8086 14340.7822 234.2587 -203455.9962 2787.7078 0.0000 0.0000 52263.5412 -109463.4164 300.3593 -161726.9576 -109099.0277 299.4754 178.7451 209.9447 760737.6292 0.6736 0.7710 PRESSURE: 3967200 -423.338 110.967 210.875 110.967 5.76826 53.7504 210.874 53.7501 -251.929 GPRESSURE: 3967200 -316 134.765 290.003 21.0718 -73.3574 68.3098 116.864 3.09014 -195.454 PRESSAVG: 3967200 -32.9693 33.5265 -10.5588 33.5264 40.5424 21.0795 -10.5588 21.0794 5.98263 GPRESSAVG: 3967200 -34.0485 33.1946 -11.7336 32.897 41.2079 21.2612 -11.2596 21.3978 5.63589 TIMING: 3967200 CPU: 12544.8, 0.00320213/step Wall: 12544.8, 0.00320213/step, 0.918656 hours remaining, 238.613281 MB of memory in use. ENERGY: 3967200 4007.0243 20444.9465 14431.0005 242.8173 -203679.7844 2953.3189 0.0000 0.0000 51949.4239 -109651.2529 298.5541 -161600.6768 -109289.6830 298.8411 -223.1663 -194.9374 763433.1906 4.5186 4.2651 PRESSURE: 3967400 25.7852 109.115 -215.762 109.114 -372.01 -26.9522 -215.762 -26.9523 -288.278 GPRESSURE: 3967400 11.5586 177.576 -141.022 149.264 -254.005 106.695 -201.516 31.0632 -307.019 PRESSAVG: 3967400 -30.7842 8.1973 -34.5419 8.19731 11.5208 23.0346 -34.5419 23.0345 25.7134 GPRESSAVG: 3967400 -29.6799 8.37077 -32.9111 8.73858 10.2959 24.5431 -34.0087 22.7171 26.0979 TIMING: 3967400 CPU: 12545.4, 0.00317498/step Wall: 12545.4, 0.00317498/step, 0.91069 hours remaining, 238.613281 MB of memory in use. ENERGY: 3967400 4040.5982 20478.8036 14426.8863 255.7486 -203053.4822 2320.2235 0.0000 0.0000 51808.8737 -109722.3483 297.7463 -161531.2220 -109368.6490 299.2015 -211.5008 -183.1550 760135.7620 2.1500 2.2379 PRESSURE: 3967600 -193.432 -176.167 -93.4132 -176.167 134.562 -164.298 -93.4128 -164.299 235.194 GPRESSURE: 3967600 -133.092 -191.343 -83.4444 -154.626 148.892 -102.673 11.8675 -249.947 247.674 PRESSAVG: 3967600 -48.5465 32.5709 -18.087 32.5709 30.4973 19.3918 -18.087 19.3919 0.175125 GPRESSAVG: 3967600 -48.9999 31.7621 -17.8226 33.3379 30.3451 18.0866 -18.4306 19.3799 0.625485 TIMING: 3967600 CPU: 12546, 0.00314821/step Wall: 12546, 0.00314821/step, 0.902838 hours remaining, 238.613281 MB of memory in use. ENERGY: 3967600 3972.4062 20362.9558 14409.4141 250.5408 -203259.7970 2591.4658 0.0000 0.0000 52149.2298 -109523.7845 299.7023 -161673.0143 -109171.4674 298.7380 58.7742 87.8247 760836.2819 -5.9580 -6.0098 PRESSURE: 3967800 -129.197 65.3885 -75.6662 65.3881 -116.769 -157.878 -75.6663 -157.877 -116.648 GPRESSURE: 3967800 -72.3672 -57.8505 -71.8043 97.3271 -85.5802 -80.6937 -145.575 9.85838 -118.163 PRESSAVG: 3967800 6.76844 8.71097 -26.688 8.71095 7.61279 26.8793 -26.6881 26.8793 -13.321 GPRESSAVG: 3967800 7.24323 8.27577 -29.0939 9.68171 7.4867 26.5591 -28.3288 28.3707 -14.1845 TIMING: 3967800 CPU: 12546.7, 0.00316473/step Wall: 12546.7, 0.00316473/step, 0.907399 hours remaining, 238.613281 MB of memory in use. ENERGY: 3967800 3951.3086 20496.9380 14411.1473 250.9380 -203120.0787 2409.8487 0.0000 0.0000 51966.9537 -109632.9444 298.6548 -161599.8981 -109273.8046 298.9111 -120.8712 -92.0367 760992.9826 0.3534 0.1818 PRESSURE: 3968000 124.392 15.1991 -333.216 15.2 -28.6083 168.215 -333.216 168.214 72.0942 GPRESSURE: 3968000 143.752 58.8249 -326.075 -27.4888 75.207 206.703 -224.727 126.63 28.7007 PRESSAVG: 3968000 18.2607 -26.8197 -18.3931 -26.8197 -31.8487 11.5074 -18.3931 11.5073 16.6246 GPRESSAVG: 3968000 16.2654 -26.0805 -16.2094 -28.7793 -30.9011 10.8967 -17.5413 9.15179 17.5126 TIMING: 3968000 CPU: 12547.3, 0.0031678/step Wall: 12547.3, 0.0031678/step, 0.908102 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3968000 3966.3873 20259.5776 14357.4410 266.7278 -203363.4770 2626.6887 0.0000 0.0000 52034.8597 -109851.7950 299.0451 -161886.6547 -109489.7182 298.4503 55.9591 82.5533 759994.6690 1.0122 0.9590 PRESSURE: 3968200 -212.6 250.531 -35.3241 250.53 -8.44649 90.3771 -35.325 90.3758 117.743 GPRESSURE: 3968200 -148.673 282.539 -45.8459 343.322 33.4609 66.6863 -38.2658 -6.50836 96.1348 PRESSAVG: 3968200 -4.5274 -1.47787 -39.1287 -1.47792 22.9833 34.7033 -39.1287 34.7034 -12.6687 GPRESSAVG: 3968200 -3.29603 -2.63313 -39.6473 0.161313 20.8573 34.7515 -38.8633 35.7127 -12.1064 TIMING: 3968200 CPU: 12547.9, 0.00316841/step Wall: 12547.9, 0.00316841/step, 0.9081 hours remaining, 238.613281 MB of memory in use. ENERGY: 3968200 4021.3037 20435.3069 14379.9857 247.0534 -203649.6246 2601.3593 0.0000 0.0000 52224.0745 -109740.5412 300.1325 -161964.6157 -109371.7660 298.6379 -34.4343 -6.3592 759407.9007 1.9290 1.8183 LDB: ============= START OF LOAD BALANCING ============== 12560.3 LDB: ============== END OF LOAD BALANCING =============== 12560.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12560.3 LDB: ============= START OF LOAD BALANCING ============== 12560.7 LDB: Largest compute 7068 load 0.032872 is 16.8% of average load 0.196147 LDB: Average compute 0.004398 is 2.2% of average load 0.196147 LDB: TIME 12560.7 LOAD: AVG 0.196147 MAX 0.219051 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 12560.7 LOAD: AVG 0.196147 MAX 0.219051 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.176 MB LDB: TIME 12560.7 LOAD: AVG 0.196147 MAX 0.216909 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.176 MB LDB: ============== END OF LOAD BALANCING =============== 12560.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12560.7 PRESSURE: 3968400 51.6769 97.1915 -214.105 97.1912 -280.548 -2.57588 -214.104 -2.57572 122.504 GPRESSURE: 3968400 67.0238 129.542 -225.817 34.1996 -226.004 -46.1973 20.6415 88.3298 158.271 PRESSAVG: 3968400 0.148516 49.7525 -16.3642 49.7525 37.5886 36.6209 -16.3642 36.6209 -8.65752 GPRESSAVG: 3968400 0.363192 50.7315 -17.7343 46.4143 37.5668 36.9354 -14.8253 36.2817 -8.97797 TIMING: 3968400 CPU: 12548.6, 0.0032394/step Wall: 12548.6, 0.0032394/step, 0.928268 hours remaining, 240.214844 MB of memory in use. ENERGY: 3968400 4056.6083 20380.1759 14448.4102 246.1712 -203594.2509 2716.9820 0.0000 0.0000 52011.5416 -109734.3617 298.9110 -161745.9033 -109382.4803 299.2006 -35.4557 -0.2363 759197.2490 9.6932 9.6507 PRESSURE: 3968600 1.9209 -4.84304 51.5735 -4.84367 -219.088 6.43588 51.5733 6.43629 114.358 GPRESSURE: 3968600 29.6627 -82.5369 75.9438 -4.95731 -185.704 43.8261 -33.079 -1.53754 164.599 PRESSAVG: 3968600 -3.98974 7.02201 -55.0349 7.02197 -49.5837 19.5157 -55.0349 19.5157 18.7038 GPRESSAVG: 3968600 -3.45767 6.68385 -53.7704 7.25121 -49.5337 17.9181 -58.2417 22.2009 18.3977 TIMING: 3968600 CPU: 12549.2, 0.0031551/step Wall: 12549.2, 0.0031551/step, 0.903935 hours remaining, 240.214844 MB of memory in use. ENERGY: 3968600 3918.6071 20376.2906 14397.8010 233.1217 -203288.7713 2573.5422 0.0000 0.0000 52078.0342 -109711.3745 299.2932 -161789.4087 -109356.2370 298.7133 -34.2697 2.8525 760745.1152 -11.6232 -11.5312 PRESSURE: 3968800 -40.0086 -33.8884 244.49 -33.889 121.885 159.469 244.49 159.47 -345.156 GPRESSURE: 3968800 -97.2896 -68.0484 189.815 -30.0368 166.373 148.178 344.384 250.75 -245.902 PRESSAVG: 3968800 8.42838 5.83576 -48.3358 5.83582 33.4862 12.0704 -48.3358 12.0704 -9.79072 GPRESSAVG: 3968800 8.02553 5.01352 -49.3893 7.16829 35.6447 13.3148 -46.4617 9.31372 -11.4381 TIMING: 3968800 CPU: 12549.8, 0.00316714/step Wall: 12549.8, 0.00316714/step, 0.90721 hours remaining, 240.214844 MB of memory in use. ENERGY: 3968800 4017.9491 20321.0101 14402.6670 264.5707 -203286.1195 2613.2553 0.0000 0.0000 51791.7304 -109874.9369 297.6478 -161666.6673 -109518.8441 298.7862 -87.7598 -58.9398 761547.6038 10.7079 10.7440 PRESSURE: 3969000 -152.902 108.808 4.38569 108.808 -122.663 84.778 4.38695 84.7771 104.701 GPRESSURE: 3969000 -168.474 58.6081 15.7118 98.5576 -14.2896 78.6667 -17.5955 108.071 87.0719 PRESSAVG: 3969000 -3.64609 -5.89609 25.0476 -5.89603 -22.5901 -16.4613 25.0476 -16.4614 -12.5596 GPRESSAVG: 3969000 -4.93913 -3.87574 26.3228 -6.81624 -23.8503 -17.4195 24.6981 -14.1746 -10.5451 TIMING: 3969000 CPU: 12550.5, 0.00316525/step Wall: 12550.5, 0.00316525/step, 0.906493 hours remaining, 240.214844 MB of memory in use. ENERGY: 3969000 4041.3649 20365.7261 14341.1649 228.2244 -203505.8615 2657.9743 0.0000 0.0000 51956.7862 -109914.6208 298.5964 -161871.4070 -109557.9924 298.2365 -56.9549 -31.8972 762762.0348 -12.9319 -13.1115 PRESSURE: 3969200 49.2561 7.70458 -59.8579 7.70474 -111.932 18.5428 -59.8579 18.5435 -106.142 GPRESSURE: 3969200 72.9368 61.7965 -40.1706 -44.0188 -4.48386 86.4906 -131.615 -122.501 -151.082 PRESSAVG: 3969200 -6.93061 -16.3048 -25.2121 -16.3048 -64.2628 -6.34308 -25.2121 -6.34311 21.8168 GPRESSAVG: 3969200 -5.6313 -18.6849 -25.9157 -15.5014 -64.7996 -5.42211 -25.4406 -8.20252 20.735 TIMING: 3969200 CPU: 12551.1, 0.00315748/step Wall: 12551.1, 0.00315748/step, 0.904092 hours remaining, 240.214844 MB of memory in use. ENERGY: 3969200 3994.7292 20490.6986 14360.8799 224.5879 -203362.7777 2562.6918 0.0000 0.0000 51649.0185 -110080.1719 296.8276 -161729.1904 -109730.4522 298.1524 -56.2727 -27.5431 760506.9950 -16.4589 -16.5653 PRESSURE: 3969400 6.23838 -124.547 -257.638 -124.547 -344.098 35.0059 -257.638 35.0062 84.9479 GPRESSURE: 3969400 45.1323 -114.377 -223.423 -189.689 -306.409 24.6375 -226.468 37.4729 102.478 PRESSAVG: 3969400 24.1361 -74.4126 -17.0995 -74.4127 -17.8167 25.5159 -17.0995 25.5159 -19.0379 GPRESSAVG: 3969400 24.6932 -73.5371 -16.4834 -75.3895 -18.0858 25.3098 -16.7634 26.9457 -18.96 TIMING: 3969400 CPU: 12551.7, 0.00316965/step Wall: 12551.7, 0.00316965/step, 0.9074 hours remaining, 240.214844 MB of memory in use. ENERGY: 3969400 3953.7710 20615.3540 14424.7927 264.9434 -203671.8420 2748.6440 0.0000 0.0000 51857.6997 -109806.6372 298.0269 -161664.3369 -109449.6413 298.0323 -84.3039 -52.9330 761320.6400 -4.2395 -4.1175 PRESSURE: 3969600 158.802 -2.14149 -4.61861 -2.14153 28.0848 -230.8 -4.61849 -230.799 27.8839 GPRESSURE: 3969600 169.021 3.17374 54.2184 57.8579 17.8206 -236.774 -44.5895 -187.895 99.9208 PRESSAVG: 3969600 75.8173 -37.2586 18.8983 -37.2587 13.8587 -46.0484 18.8983 -46.0483 13.4509 GPRESSAVG: 3969600 74.605 -37.3642 20.929 -35.7807 14.1633 -45.3267 17.0519 -46.6471 13.9822 TIMING: 3969600 CPU: 12552.4, 0.00317139/step Wall: 12552.4, 0.00317139/step, 0.907722 hours remaining, 240.214844 MB of memory in use. ENERGY: 3969600 3975.4888 20454.9612 14329.4663 244.7265 -203929.2677 3000.9044 0.0000 0.0000 52032.1689 -109891.5517 299.0296 -161923.7206 -109535.3404 298.4033 71.5903 95.5875 762023.2514 34.3756 34.2502 PRESSURE: 3969800 -30.4086 -125.176 106.279 -125.177 60.7187 72.143 106.28 72.1429 239.514 GPRESSURE: 3969800 17.7998 -95.2542 169.637 -84.4344 162.393 5.01341 95.5658 35.8017 169.637 PRESSAVG: 3969800 -0.811804 -22.9815 13.8251 -22.9815 20.2594 8.65663 13.8251 8.65664 -6.3342 GPRESSAVG: 3969800 -0.160497 -24.6233 11.4585 -21.3791 21.0215 7.18797 14.8033 8.58675 -6.97749 TIMING: 3969800 CPU: 12553, 0.00314819/step Wall: 12553, 0.00314819/step, 0.900906 hours remaining, 240.214844 MB of memory in use. ENERGY: 3969800 3988.9869 20537.4780 14367.6090 229.7256 -203831.1695 2829.7650 0.0000 0.0000 51701.6901 -110175.9149 297.1303 -161877.6050 -109822.2258 297.9674 89.9414 116.6098 761065.4139 4.3711 4.6278 PRESSURE: 3970000 9.80857 19.398 175.055 19.3984 36.4515 13.6027 175.056 13.6038 58.4808 GPRESSURE: 3970000 89.4047 28.1466 181.967 63.8023 58.6718 4.55291 83.1258 39.5783 53.4507 PRESSAVG: 3970000 -1.30233 -5.44228 -36.6923 -5.44227 -10.9368 37.4404 -36.6923 37.4404 17.8278 GPRESSAVG: 3970000 -1.64337 -4.94102 -35.7632 -8.13058 -11.1317 37.7655 -37.5301 37.3656 18.283 TIMING: 3970000 CPU: 12553.6, 0.00315415/step Wall: 12553.6, 0.00315415/step, 0.902438 hours remaining, 240.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3970000 3984.2571 20405.2622 14414.0416 252.8887 -204102.4633 2910.7556 0.0000 0.0000 51876.5558 -110258.7023 298.1353 -162135.2581 -109895.6483 297.7008 34.9136 67.1757 759260.6271 1.8629 1.8360 PRESSURE: 3970200 -358.872 268.043 -77.0245 268.043 -170.277 28.012 -77.0241 28.0117 -153.544 GPRESSURE: 3970200 -323.906 376.176 -87.9745 216.041 -195.803 -54.8343 36.0689 25.1071 -90.7838 PRESSAVG: 3970200 -62.2469 9.39827 11.8698 9.39833 63.7598 9.17682 11.8698 9.17683 -9.15874 GPRESSAVG: 3970200 -62.3559 8.97433 12.1585 10.9357 63.7577 10.1984 13.3863 8.04305 -9.28513 TIMING: 3970200 CPU: 12554.3, 0.00318665/step Wall: 12554.3, 0.00318665/step, 0.911558 hours remaining, 240.214844 MB of memory in use. ENERGY: 3970200 3944.2220 20384.4209 14322.3111 242.0482 -203056.1643 2399.5653 0.0000 0.0000 51789.1213 -109974.4755 297.6328 -161763.5968 -109626.0307 298.0053 -227.5647 -203.4977 761213.0058 -2.5486 -2.6278 PRESSURE: 3970400 143.243 143.43 62.2715 143.43 335.57 270.206 62.2715 270.206 177.371 GPRESSURE: 3970400 182.963 70.4982 68.4414 52.3075 325.033 264.57 102.592 335.277 218.252 PRESSAVG: 3970400 -83.0024 3.29361 51.3581 3.29357 83.2968 9.7694 51.3581 9.76937 5.15241 GPRESSAVG: 3970400 -82.4164 4.87906 49.0581 2.7924 83.0577 8.83278 51.8802 11.887 4.87678 TIMING: 3970400 CPU: 12554.9, 0.00316838/step Wall: 12554.9, 0.00316838/step, 0.906156 hours remaining, 240.214844 MB of memory in use. ENERGY: 3970400 3975.9673 20473.7287 14399.5793 254.9500 -203716.0658 2741.5021 0.0000 0.0000 51924.9847 -109945.3537 298.4136 -161870.3384 -109591.2756 298.5115 218.7279 242.0824 760596.8184 1.8156 1.8394 PRESSURE: 3970600 78.3535 304.303 -34.7935 304.302 478.799 188.228 -34.7928 188.228 459.707 GPRESSURE: 3970600 207.606 358.707 -7.41343 304.485 530.07 141.059 -29.2027 104.934 366.165 PRESSAVG: 3970600 -32.5853 56.6111 -17.8657 56.611 58.9264 20.0461 -17.8658 20.0461 -2.26879 GPRESSAVG: 3970600 -32.891 55.6874 -17.7978 55.6154 59.0048 20.203 -16.4034 18.5057 -2.00501 TIMING: 3970600 CPU: 12555.5, 0.00317796/step Wall: 12555.5, 0.00317796/step, 0.908721 hours remaining, 240.214844 MB of memory in use. ENERGY: 3970600 3947.6373 20450.4705 14467.9538 225.2171 -203573.6950 2809.1305 0.0000 0.0000 51970.4676 -109702.8183 298.6750 -161673.2859 -109339.0940 298.5368 338.9532 367.9470 759895.8577 8.0241 8.0363 PRESSURE: 3970800 100.507 58.2538 321.875 58.2546 -246.453 -15.9669 321.876 -15.9664 41.5593 GPRESSURE: 3970800 56.0122 43.5093 310.854 31.474 -205.233 10.2008 189.32 -33.1691 126.569 PRESSAVG: 3970800 -99.0533 11.4495 -53.9838 11.4496 99.7128 -11.7227 -53.9838 -11.7227 20.7562 GPRESSAVG: 3970800 -97.5411 11.3291 -52.5705 12.1494 97.9282 -10.6557 -57.3058 -11.9837 20.8383 TIMING: 3970800 CPU: 12556.2, 0.00317172/step Wall: 12556.2, 0.00317172/step, 0.90676 hours remaining, 240.214844 MB of memory in use. ENERGY: 3970800 3958.4497 20510.6178 14413.0412 246.5775 -203409.3334 2614.1262 0.0000 0.0000 52069.3467 -109597.1742 299.2433 -161666.5209 -109239.5786 298.9172 -34.7955 -7.5506 761602.2337 7.1385 7.0751 PRESSURE: 3971000 23.5898 -59.9746 -10.1623 -59.9746 183.906 60.4427 -10.1621 60.4435 -150.685 GPRESSURE: 3971000 74.8433 -66.5892 -125.331 -24.6002 190.534 138.851 -22.0598 -18.9436 -122.157 PRESSAVG: 3971000 18.6564 3.35477 21.9283 3.35483 -20.8198 25.5407 21.9283 25.5406 -17.7408 GPRESSAVG: 3971000 17.6346 1.24097 21.5838 5.37776 -18.5465 24.6702 21.6503 27.9863 -18.9961 TIMING: 3971000 CPU: 12556.8, 0.00318606/step Wall: 12556.8, 0.00318606/step, 0.910681 hours remaining, 240.214844 MB of memory in use. ENERGY: 3971000 3983.7689 20410.4057 14451.4137 272.7664 -203323.1483 2745.8319 0.0000 0.0000 51989.6609 -109469.3008 298.7853 -161458.9617 -109106.6213 298.8404 18.9369 47.7402 761808.6688 -6.6347 -6.6360 PRESSURE: 3971200 271.591 -147.411 47.8868 -147.411 34.8532 -176.019 47.8866 -176.019 -41.4134 GPRESSURE: 3971200 177.182 -88.714 105.913 -99.5505 123.285 -240.565 -85.8168 -200.79 42.6849 PRESSAVG: 3971200 42.2293 -54.7423 31.2742 -54.7422 4.11671 -23.4255 31.2742 -23.4255 22.4059 GPRESSAVG: 3971200 41.4784 -53.2094 30.248 -52.8593 4.50518 -24.808 31.94 -27.2367 23.0282 TIMING: 3971200 CPU: 12557.4, 0.00314865/step Wall: 12557.4, 0.00314865/step, 0.899813 hours remaining, 240.214844 MB of memory in use. ENERGY: 3971200 3932.0243 20507.5013 14463.9310 259.7534 -203713.8843 2965.4449 0.0000 0.0000 51965.5946 -109619.6349 298.6470 -161585.2295 -109259.9335 298.8379 88.3437 114.3838 760905.4900 22.9173 23.0039 PRESSURE: 3971400 -17.8832 82.5482 78.8406 82.5489 -262.592 12.9866 78.8399 12.9865 -22.8948 GPRESSURE: 3971400 -28.9959 17.286 114.964 95.0498 -195.103 61.0224 69.5451 131.375 -16.4742 PRESSAVG: 3971400 3.43807 -38.2274 68.8513 -38.2273 -7.31397 -37.3768 68.8513 -37.3768 7.42961 GPRESSAVG: 3971400 4.21317 -36.5698 68.9824 -41.4608 -8.18437 -34.7744 68.6314 -36.4096 7.47933 TIMING: 3971400 CPU: 12558.1, 0.00316096/step Wall: 12558.1, 0.00316096/step, 0.903157 hours remaining, 240.214844 MB of memory in use. ENERGY: 3971400 3970.6581 20490.2066 14372.4562 245.0852 -203069.9667 2480.8068 0.0000 0.0000 52204.2617 -109306.4920 300.0186 -161510.7537 -108949.5858 299.1927 -101.1233 -80.1911 762102.4060 1.1846 1.1694 PRESSURE: 3971600 209.903 27.1052 -8.88204 27.1051 -133.822 49.854 -8.88239 49.855 -370.7 GPRESSURE: 3971600 107.405 60.128 51.5213 -24.9402 -32.4559 66.6631 142.301 49.5184 -294.216 PRESSAVG: 3971600 62.3228 -42.804 -22.5833 -42.804 -27.9456 -6.53841 -22.5833 -6.53842 -18.9237 GPRESSAVG: 3971600 60.6761 -44.5685 -22.7327 -43.2785 -27.4896 -7.02113 -21.8337 -4.29981 -17.6693 TIMING: 3971600 CPU: 12558.7, 0.00313786/step Wall: 12558.7, 0.00313786/step, 0.896381 hours remaining, 240.214844 MB of memory in use. ENERGY: 3971600 4000.6234 20638.3103 14461.0737 254.7763 -203008.1355 2299.7563 0.0000 0.0000 51843.5422 -109510.0533 297.9455 -161353.5955 -109153.5616 298.9749 -98.2060 -73.0889 761276.3682 5.1512 5.1724 PRESSURE: 3971800 -365.095 28.1874 0.668565 28.1863 13.6182 22.9839 0.66907 22.9843 -377.967 GPRESSURE: 3971800 -292.387 -78.1965 -19.6144 41.3616 -71.0391 -39.4952 -20.7542 92.8862 -277.74 PRESSAVG: 3971800 29.1875 -36.7663 -19.351 -36.7663 -12.5774 -11.225 -19.3509 -11.225 4.37159 GPRESSAVG: 3971800 29.4591 -33.8322 -18.3675 -36.9325 -12.5217 -11.7164 -18.1842 -14.3586 3.72915 TIMING: 3971800 CPU: 12559.3, 0.00316674/step Wall: 12559.3, 0.00316674/step, 0.904455 hours remaining, 240.214844 MB of memory in use. ENERGY: 3971800 3995.8140 20587.9008 14486.5641 250.8430 -203690.4230 2691.8144 0.0000 0.0000 52142.2659 -109535.2208 299.6623 -161677.4867 -109185.3111 299.1177 -243.1478 -213.7220 759850.4403 6.9939 6.8889 PRESSURE: 3972000 82.4176 37.7977 -60.1666 37.7965 -175.13 119.381 -60.1662 119.382 117.604 GPRESSURE: 3972000 88.5904 64.7239 -36.9701 7.26351 -96.2304 204.689 13.4854 236.625 132.52 PRESSAVG: 3972000 14.0567 22.73 -32.2504 22.73 -22.0692 -7.99067 -32.2503 -7.99053 5.37429 GPRESSAVG: 3972000 14.6586 21.9167 -32.5333 22.1444 -22.2979 -5.8374 -33.2527 -5.94439 4.54724 TIMING: 3972000 CPU: 12560, 0.00315924/step Wall: 12560, 0.00315924/step, 0.902137 hours remaining, 240.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3972000 3972.5079 20648.5523 14523.1633 242.4273 -203390.3790 2629.4387 0.0000 0.0000 51850.7737 -109523.5159 297.9871 -161374.2896 -109159.6004 299.3618 8.2972 41.6267 761823.7014 -0.8794 -1.0307 PRESSURE: 3972200 13.7671 -53.3147 -206.987 -53.3153 -47.5475 -6.37029 -206.987 -6.37028 168.597 GPRESSURE: 3972200 73.8735 -7.21841 -295.193 -20.5328 -3.15551 -6.65255 -88.5786 -30.4095 173.255 PRESSAVG: 3972200 34.2933 22.9469 32.7004 22.947 -39.7598 19.0404 32.7003 19.0404 -0.199935 GPRESSAVG: 3972200 33.9124 22.364 33.2429 25.1333 -40.5086 18.3746 31.6474 18.3743 0.264097 TIMING: 3972200 CPU: 12560.6, 0.00316814/step Wall: 12560.6, 0.00316814/step, 0.904505 hours remaining, 240.214844 MB of memory in use. ENERGY: 3972200 3968.7541 20654.9033 14506.7124 243.1719 -203690.8195 2814.3039 0.0000 0.0000 51897.7482 -109605.2257 298.2571 -161502.9739 -109237.4744 299.1125 44.9387 81.3242 759447.0270 -1.8888 -2.1107 LDB: ============= START OF LOAD BALANCING ============== 12573 LDB: ============== END OF LOAD BALANCING =============== 12573 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12573 LDB: ============= START OF LOAD BALANCING ============== 12573.3 LDB: Largest compute 7068 load 0.032943 is 16.8% of average load 0.196130 LDB: Average compute 0.004401 is 2.2% of average load 0.196130 LDB: TIME 12573.3 LOAD: AVG 0.19613 MAX 0.215978 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.129 MB LDB: TIME 12573.3 LOAD: AVG 0.19613 MAX 0.215978 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 12573.3 LOAD: AVG 0.19613 MAX 0.215978 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 12573.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12573.3 PRESSURE: 3972400 76.3198 103.973 246.656 103.973 -103.161 -230.328 246.656 -230.329 -21.3483 GPRESSURE: 3972400 -8.65642 97.7168 196.66 157.167 13.9438 -215.732 207.045 -60.2721 39.4001 PRESSAVG: 3972400 22.5134 8.98159 -19.8636 8.98158 32.243 38.3223 -19.8636 38.3223 1.3007 GPRESSAVG: 3972400 21.7219 9.07032 -18.839 9.17559 32.437 39.0668 -19.2162 37.1307 1.8814 TIMING: 3972400 CPU: 12561.3, 0.00323296/step Wall: 12561.3, 0.00323296/step, 0.922831 hours remaining, 238.289062 MB of memory in use. ENERGY: 3972400 3998.9386 20424.1064 14409.3422 257.9353 -203325.0222 2511.1511 0.0000 0.0000 52094.2139 -109629.3346 299.3862 -161723.5485 -109262.6555 299.1617 -16.0631 14.8958 759809.8637 18.6857 18.6801 PRESSURE: 3972600 128.66 61.4824 -107.233 61.4819 -385.489 -60.2333 -107.233 -60.2342 -163.124 GPRESSURE: 3972600 32.6921 52.4844 -149.928 -6.56779 -294.09 -204.057 -69.0642 -148.307 -94.9673 PRESSAVG: 3972600 29.3429 35.4636 -23.6271 35.4636 -32.2748 -62.9357 -23.6271 -62.9358 -2.01001 GPRESSAVG: 3972600 30.069 35.7318 -23.8198 34.8953 -33.1555 -64.6736 -25.2693 -61.7172 -1.90568 TIMING: 3972600 CPU: 12561.9, 0.00314711/step Wall: 12561.9, 0.00314711/step, 0.898151 hours remaining, 238.492188 MB of memory in use. ENERGY: 3972600 4068.2610 20365.5151 14498.0394 259.5993 -203119.5552 2430.3241 0.0000 0.0000 52036.4536 -109461.3626 299.0542 -161497.8162 -109101.8024 298.9818 -139.9842 -118.7885 761332.2846 -1.6473 -1.6641 PRESSURE: 3972800 56.7551 -42.7209 -16.9606 -42.7197 41.8429 36.585 -16.9613 36.5839 91.517 GPRESSURE: 3972800 101.007 -108.934 19.9351 -83.5675 38.9015 39.1517 -36.6117 -26.6244 131.256 PRESSAVG: 3972800 2.04737 -11.9761 -22.5585 -11.9761 -7.54834 -10.5155 -22.5584 -10.5155 1.70715 GPRESSAVG: 3972800 2.03864 -13.3773 -23.8207 -11.3946 -6.94606 -8.59785 -21.1996 -10.3277 0.838259 TIMING: 3972800 CPU: 12562.5, 0.00316081/step Wall: 12562.5, 0.00316081/step, 0.901885 hours remaining, 238.492188 MB of memory in use. ENERGY: 3972800 3971.3476 20554.4566 14364.9314 254.5679 -203275.4645 2700.3681 0.0000 0.0000 52079.0052 -109350.7877 299.2988 -161429.7929 -108986.1706 299.1511 63.3717 90.3883 761986.8850 -1.2646 -1.3564 PRESSURE: 3973000 104.709 19.5653 77.8614 19.5657 -163.101 -181.351 77.8618 -181.351 79.2576 GPRESSURE: 3973000 158.889 66.7173 15.5567 53.726 -137.456 -137.854 71.0896 -277.777 92.8085 PRESSAVG: 3973000 -14.5206 28.7906 -25.1583 28.7907 35.164 -0.299634 -25.1583 -0.299678 10.3382 GPRESSAVG: 3973000 -15.797 27.8574 -25.7884 27.7144 35.905 -2.42243 -24.2699 -1.47688 10.7796 TIMING: 3973000 CPU: 12563.1, 0.00314129/step Wall: 12563.1, 0.00314129/step, 0.896139 hours remaining, 238.492188 MB of memory in use. ENERGY: 3973000 4003.5045 20547.7056 14493.8476 269.5771 -203401.9990 2699.0881 0.0000 0.0000 52055.8704 -109332.4058 299.1658 -161388.2761 -108973.1673 299.3343 6.9554 38.0805 761121.6119 10.3272 10.2959 PRESSURE: 3973200 -263.934 -121.269 212.183 -121.269 -520.5 -11.9022 212.183 -11.9016 -395.473 GPRESSURE: 3973200 -224.217 -158.624 200.568 -72.0595 -453.811 29.1668 360.164 88.2417 -425.547 PRESSAVG: 3973200 -1.38454 -7.68291 -39.271 -7.68296 -18.4902 -39.6121 -39.2709 -39.6121 1.19372 GPRESSAVG: 3973200 -0.522208 -5.37116 -38.4351 -7.28265 -19.3703 -40.0908 -40.8043 -37.9134 0.991404 TIMING: 3973200 CPU: 12563.8, 0.00315365/step Wall: 12563.8, 0.00315365/step, 0.899491 hours remaining, 238.492188 MB of memory in use. ENERGY: 3973200 4050.5914 20469.4970 14503.4989 250.1200 -203122.4126 2448.3666 0.0000 0.0000 52168.0380 -109232.3006 299.8104 -161400.3387 -108869.6677 299.2022 -393.3022 -367.8584 763278.3351 -6.2270 -6.3004 PRESSURE: 3973400 134.386 178.591 182.526 178.591 109.614 -200.35 182.526 -200.35 -217.75 GPRESSURE: 3973400 120.353 240.765 113.154 177.31 89.9522 -107.526 286.403 -156.962 -105.994 PRESSAVG: 3973400 40.8015 23.2058 25.9732 23.2058 -55.4345 4.28186 25.9733 4.28183 -11.3802 GPRESSAVG: 3973400 40.7596 22.581 25.1379 23.846 -56.1288 4.70807 26.3136 5.11358 -9.79074 TIMING: 3973400 CPU: 12564.4, 0.00316022/step Wall: 12564.4, 0.00316022/step, 0.901188 hours remaining, 238.492188 MB of memory in use. ENERGY: 3973400 3922.4224 20640.9010 14425.3474 243.6746 -202993.4555 2337.8377 0.0000 0.0000 52291.9447 -109131.3278 300.5225 -161423.2724 -108762.3959 299.4441 8.7500 34.7705 762150.3812 -8.6711 -8.3866 PRESSURE: 3973600 142.656 -182.002 -188.177 -182.002 -65.2903 212.239 -188.177 212.24 -163.044 GPRESSURE: 3973600 170.852 -25.8985 -172.567 -274.437 -4.17559 167.997 -318.974 210.113 -174.422 PRESSAVG: 3973600 64.6081 0.806875 -0.873971 0.806936 -32.9885 -35.1571 -0.873958 -35.157 -1.74412 GPRESSAVG: 3973600 65.4457 3.23163 0.247383 -0.557576 -32.6754 -33.9788 -1.59251 -35.3956 -3.38915 TIMING: 3973600 CPU: 12565, 0.00317036/step Wall: 12565, 0.00317036/step, 0.903906 hours remaining, 238.492188 MB of memory in use. ENERGY: 3973600 4111.1400 20669.7386 14452.8619 242.8990 -203309.9343 2810.8810 0.0000 0.0000 51934.5421 -109087.8717 298.4685 -161022.4138 -108736.9245 300.1854 -28.5592 -2.5820 761260.3861 9.9585 9.7937 PRESSURE: 3973800 -128.867 67.2439 -98.4231 67.2449 -104.802 15.7526 -98.4231 15.7538 63.0322 GPRESSURE: 3973800 -66.6665 -45.8415 -84.0415 -33.4385 -49.6605 9.0513 81.5652 2.24086 40.1582 PRESSAVG: 3973800 44.6174 -7.88755 -37.2644 -7.88752 -40.3098 4.41105 -37.2644 4.4111 14.2794 GPRESSAVG: 3973800 43.6784 -9.86915 -38.091 -5.99867 -38.8139 4.31481 -36.097 2.85465 13.9907 TIMING: 3973800 CPU: 12565.7, 0.00316466/step Wall: 12565.7, 0.00316466/step, 0.902103 hours remaining, 238.492188 MB of memory in use. ENERGY: 3973800 3975.7907 20614.1559 14434.0854 262.0423 -203362.7587 2396.3089 0.0000 0.0000 52319.0093 -109361.3664 300.6781 -161680.3757 -108994.1573 299.8684 -56.8789 -25.3896 761117.2338 6.1957 6.2851 PRESSURE: 3974000 26.2115 156.565 -140.406 156.565 -392.89 -422.911 -140.406 -422.911 -33.6645 GPRESSURE: 3974000 -49.1419 140.69 -228.992 259.286 -309.405 -326.219 -200.918 -341.003 40.3576 PRESSAVG: 3974000 46.2554 -15.5369 17.9969 -15.5368 -41.4621 20.1997 17.9968 20.1997 -0.0387108 GPRESSAVG: 3974000 44.6466 -14.2274 18.4678 -16.8414 -40.902 19.8631 18.1351 19.0729 1.15599 TIMING: 3974000 CPU: 12566.3, 0.00317009/step Wall: 12566.3, 0.00317009/step, 0.903474 hours remaining, 238.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3974000 4082.3089 20479.3524 14452.3955 256.7295 -203365.3670 2659.4988 0.0000 0.0000 52263.4468 -109171.6352 300.3587 -161435.0820 -108799.0167 300.3129 -133.4478 -106.0632 762722.5768 1.5849 1.6335 PRESSURE: 3974200 14.8925 131.878 255.744 131.877 -540.194 11.1967 255.744 11.1968 -143.543 GPRESSURE: 3974200 -54.7134 33.486 250.836 101.212 -364.694 3.16512 219.117 106.485 -173.664 PRESSAVG: 3974200 5.07289 36.919 -8.82466 36.9191 -26.4623 36.8997 -8.82463 36.8997 11.2124 GPRESSAVG: 3974200 5.8382 36.2537 -8.65883 36.8766 -26.6101 36.5216 -9.90381 38.0186 10.1021 TIMING: 3974200 CPU: 12566.9, 0.00318651/step Wall: 12566.9, 0.00318651/step, 0.907979 hours remaining, 238.492188 MB of memory in use. ENERGY: 3974200 4043.5474 20764.3137 14416.8424 264.7169 -203209.5939 2425.7079 0.0000 0.0000 52235.9220 -109058.5437 300.2006 -161294.4657 -108706.8026 300.0895 -222.9483 -197.6901 763647.7567 -3.3924 -3.5566 PRESSURE: 3974400 21.4621 40.3337 55.9256 40.3327 -240.683 38.2777 55.9259 38.2779 44.2107 GPRESSURE: 3974400 41.6322 -58.6671 -21.1057 45.5188 -222.828 13.9644 -39.0999 -24.2925 106.886 PRESSAVG: 3974400 35.5135 47.6351 -6.094 47.6352 -1.02333 16.4079 -6.09401 16.4079 -7.26481 GPRESSAVG: 3974400 36.117 46.5096 -5.50065 48.4203 -2.09085 17.8547 -6.35782 17.1753 -6.66386 TIMING: 3974400 CPU: 12567.6, 0.0031826/step Wall: 12567.6, 0.0031826/step, 0.906687 hours remaining, 238.492188 MB of memory in use. ENERGY: 3974400 3946.1991 20637.5105 14476.6874 239.8398 -203172.5500 2514.5289 0.0000 0.0000 52203.6044 -109154.1798 300.0148 -161357.7842 -108801.0462 299.7460 -58.3367 -24.7699 761385.7631 9.0751 9.1208 PRESSURE: 3974600 190.989 -3.10574 19.931 -3.1061 -188.113 -221.25 19.9312 -221.251 -408.463 GPRESSURE: 3974600 176.612 -81.5514 -137.869 65.5099 -179.247 -186.842 104.646 -261.492 -325.146 PRESSAVG: 3974600 3.80313 9.48852 29.6973 9.48856 -1.55488 -20.2289 29.6972 -20.2288 -17.7962 GPRESSAVG: 3974600 3.91463 10.839 28.4339 7.5859 -2.64306 -22.0086 29.8455 -18.5014 -17.1058 TIMING: 3974600 CPU: 12568.2, 0.0031675/step Wall: 12568.2, 0.0031675/step, 0.902209 hours remaining, 238.492188 MB of memory in use. ENERGY: 3974600 4027.5943 20481.5535 14445.3260 244.7438 -202906.1931 2462.6481 0.0000 0.0000 52044.7085 -109199.6188 299.1017 -161244.3273 -108833.7025 299.6275 -135.1960 -109.2606 761913.4969 -5.1826 -5.2781 PRESSURE: 3974800 -188.252 142.739 -156.545 142.739 -67.6883 53.9726 -156.545 53.973 -70.2874 GPRESSURE: 3974800 -202.502 147.144 -142.178 85.9548 5.68828 119.591 -7.7241 -16.9791 -36.6651 PRESSAVG: 3974800 14.2681 -33.3838 29.924 -33.3838 -3.20051 -6.70194 29.924 -6.70206 6.54595 GPRESSAVG: 3974800 13.9077 -31.4461 31.3782 -32.4226 -3.4704 -5.64985 29.5241 -7.64536 7.39877 TIMING: 3974800 CPU: 12568.9, 0.00317879/step Wall: 12568.9, 0.00317879/step, 0.905248 hours remaining, 238.492188 MB of memory in use. ENERGY: 3974800 4046.0437 20483.8127 14484.4765 244.8654 -203370.0754 2637.8421 0.0000 0.0000 52225.9341 -109247.1008 300.1432 -161473.0349 -108880.3864 299.2859 -108.7426 -77.8264 761560.9790 5.8712 5.9454 PRESSURE: 3975000 -341.565 -74.9793 395.75 -74.9787 -6.93224 -167.399 395.751 -167.4 108.897 GPRESSURE: 3975000 -285.302 -139.219 314.952 -182.954 11.3034 -170.34 356.735 -151.971 138.201 PRESSAVG: 3975000 -21.3661 17.8457 59.3651 17.8457 31.6262 -43.055 59.3651 -43.0549 11.4887 GPRESSAVG: 3975000 -21.3795 15.268 58.5929 18.1306 34.2229 -43.2362 60.8893 -46.9272 9.27014 TIMING: 3975000 CPU: 12569.5, 0.00319354/step Wall: 12569.5, 0.00319354/step, 0.909272 hours remaining, 238.492188 MB of memory in use. ENERGY: 3975000 3963.9986 20496.5064 14388.4520 251.7496 -202624.0851 2213.7839 0.0000 0.0000 51896.6687 -109412.9260 298.2509 -161309.5948 -109053.7622 298.9802 -79.8668 -45.2659 761478.7258 7.2496 7.3712 PRESSURE: 3975200 -40.3771 -127.262 -226.745 -127.262 -124.745 20.5545 -226.745 20.5548 343.716 GPRESSURE: 3975200 -37.5157 -110.499 -188.873 -130.06 -79.0214 13.7634 -236.579 32.1967 390.423 PRESSAVG: 3975200 -11.9968 -0.703876 39.7607 -0.703817 3.30424 -43.3387 39.7607 -43.3388 -16.3199 GPRESSAVG: 3975200 -13.0821 0.442122 40.8054 -1.71593 3.54027 -43.024 38.2296 -39.8791 -15.5737 TIMING: 3975200 CPU: 12570.1, 0.00317472/step Wall: 12570.1, 0.00317472/step, 0.903737 hours remaining, 238.492188 MB of memory in use. ENERGY: 3975200 3978.9211 20536.4257 14480.2117 244.2470 -203219.9773 2598.3164 0.0000 0.0000 51793.0013 -109588.8541 297.6551 -161381.8554 -109231.7450 298.5688 59.5315 91.2954 762048.9651 -8.3375 -8.3718 PRESSURE: 3975400 -167.604 10.7201 160.742 10.7189 203.441 -234.379 160.743 -234.379 181.35 GPRESSURE: 3975400 -81.1438 9.35664 153.408 91.9862 265.265 -123.992 77.5889 -219.069 110.776 PRESSAVG: 3975400 -26.7311 68.5897 39.5205 68.5897 40.0809 -21.1136 39.5205 -21.1137 -6.82482 GPRESSAVG: 3975400 -25.7321 68.5207 38.7123 70.6917 39.3801 -19.4855 39.3218 -23.272 -6.77454 TIMING: 3975400 CPU: 12570.8, 0.00316619/step Wall: 12570.8, 0.00316619/step, 0.901134 hours remaining, 238.492188 MB of memory in use. ENERGY: 3975400 3912.2630 20409.0729 14404.8988 249.6273 -203662.2232 2814.0559 0.0000 0.0000 52074.0581 -109798.2472 299.2703 -161872.3053 -109441.0616 298.7212 72.3955 98.2992 761900.8781 2.1750 2.2911 PRESSURE: 3975600 -108.669 175.529 -151.613 175.529 222.895 -8.44453 -151.612 -8.4434 -18.0783 GPRESSURE: 3975600 -107.137 187.89 -191.553 81.8528 259.437 -70.1208 -154.228 -42.5109 29.4695 PRESSAVG: 3975600 -29.5374 63.5806 11.8871 63.5806 12.0091 -31.0103 11.8871 -31.0104 -16.6736 GPRESSAVG: 3975600 -30.2189 62.6779 13.5006 63.5403 11.5216 -31.7805 10.8089 -30.6184 -15.1657 TIMING: 3975600 CPU: 12571.4, 0.00316174/step Wall: 12571.4, 0.00316174/step, 0.899691 hours remaining, 238.492188 MB of memory in use. ENERGY: 3975600 3830.7497 20449.7309 14403.2913 256.1833 -203455.6313 2608.5321 0.0000 0.0000 52170.3191 -109736.8248 299.8235 -161907.1438 -109360.0948 298.5713 32.0492 60.5897 761335.1252 -11.4007 -11.2877 PRESSURE: 3975800 -258.012 -21.9556 -24.0251 -21.9558 95.0802 269.114 -24.0242 269.114 -78.198 GPRESSURE: 3975800 -191.586 -21.2794 -51.4194 -89.9206 81.7179 205.957 -26.6593 261.866 -48.0559 PRESSAVG: 3975800 7.93074 -39.9229 -30.6972 -39.923 9.75979 57.1108 -30.6972 57.1109 14.7542 GPRESSAVG: 3975800 9.64582 -40.7553 -33.1717 -39.7215 9.56989 56.5213 -28.4716 58.3957 12.7892 TIMING: 3975800 CPU: 12572, 0.00316421/step Wall: 12572, 0.00316421/step, 0.900216 hours remaining, 238.492188 MB of memory in use. ENERGY: 3975800 3902.4828 20395.1022 14387.4770 242.1148 -203093.3043 2368.4962 0.0000 0.0000 51925.0845 -109872.5468 298.4142 -161797.6313 -109516.9345 298.5584 -80.3767 -52.6413 760502.4411 10.8149 10.6683 PRESSURE: 3976000 -360.365 -170.272 28.2992 -170.272 28.4767 -129.761 28.2987 -129.76 226.673 GPRESSURE: 3976000 -235.788 -132.085 21.4015 -209.112 25.4356 -161.674 104.596 -4.98018 198.935 PRESSAVG: 3976000 -6.54249 -33.6355 -17.3513 -33.6355 35.2347 -32.2892 -17.3513 -32.2892 -31.0714 GPRESSAVG: 3976000 -6.53945 -29.6527 -16.7266 -36.3957 35.1103 -32.277 -16.2995 -33.1487 -31.3531 TIMING: 3976000 CPU: 12572.7, 0.00318163/step Wall: 12572.7, 0.00318163/step, 0.904997 hours remaining, 238.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3976000 4021.2596 20302.7413 14484.2391 233.8055 -203143.9148 2439.9536 0.0000 0.0000 51732.3625 -109929.5532 297.3066 -161661.9158 -109565.1112 297.9086 -35.0719 -3.8058 762246.0180 -0.7931 -0.9274 PRESSURE: 3976200 122.583 -33.4776 -51.566 -33.4776 202.656 -227.129 -51.5662 -227.129 179.311 GPRESSURE: 3976200 141.929 -66.133 -89.9038 74.7076 261.026 -182.395 -87.2119 -157.916 188.412 PRESSAVG: 3976200 -22.3382 -38.1694 -2.86907 -38.1694 52.5595 -10.6678 -2.86908 -10.6679 2.97241 GPRESSAVG: 3976200 -22.7671 -40.6056 -1.30916 -36.772 52.5874 -8.95535 -4.73177 -11.7269 3.4503 TIMING: 3976200 CPU: 12573.3, 0.00320707/step Wall: 12573.3, 0.00320707/step, 0.912054 hours remaining, 238.492188 MB of memory in use. ENERGY: 3976200 3949.7145 20322.3362 14464.5774 258.3377 -203492.6520 2734.1436 0.0000 0.0000 51704.3724 -110059.1701 297.1457 -161763.5425 -109692.3360 297.6812 168.1833 197.1222 762270.5234 11.0646 11.0902 LDB: ============= START OF LOAD BALANCING ============== 12585.7 LDB: ============== END OF LOAD BALANCING =============== 12585.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12585.7 LDB: ============= START OF LOAD BALANCING ============== 12586 LDB: Largest compute 7068 load 0.033779 is 17.2% of average load 0.196134 LDB: Average compute 0.004396 is 2.2% of average load 0.196134 LDB: TIME 12586 LOAD: AVG 0.196134 MAX 0.21509 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.547 MB LDB: TIME 12586 LOAD: AVG 0.196134 MAX 0.21509 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.551 MB LDB: TIME 12586 LOAD: AVG 0.196134 MAX 0.21509 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.551 MB LDB: ============== END OF LOAD BALANCING =============== 12586 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12586 PRESSURE: 3976400 -101.786 -83.3187 86.872 -83.3175 8.91896 -48.2977 86.872 -48.2994 -262.251 GPRESSURE: 3976400 -35.9064 -143.425 50.32 -31.9089 -55.9122 -34.7986 111.798 -90.8405 -187.414 PRESSAVG: 3976400 3.33756 18.9442 44.3939 18.9442 21.1434 16.9071 44.3939 16.9071 26.173 GPRESSAVG: 3976400 2.74253 17.5858 42.4515 19.7463 20.9064 14.4477 43.5133 17.7053 26.4112 TIMING: 3976400 CPU: 12573.9, 0.00323328/step Wall: 12573.9, 0.00323328/step, 0.919329 hours remaining, 238.550781 MB of memory in use. ENERGY: 3976400 3971.6449 20534.0547 14319.6359 263.9799 -203879.1231 2930.2639 0.0000 0.0000 51779.6217 -110079.9222 297.5782 -161859.5439 -109723.9608 297.4251 -118.3728 -93.0775 762202.0789 16.8846 16.6867 PRESSURE: 3976600 218.365 182.517 226.597 182.516 -142.809 -21.5465 226.597 -21.5466 115.515 GPRESSURE: 3976600 270.144 189.198 187.68 46.3968 -102.038 -100.276 31.3019 4.73154 113.864 PRESSAVG: 3976600 14.7114 -62.4116 15.4975 -62.4116 31.6314 31.235 15.4975 31.2349 -35.1938 GPRESSAVG: 3976600 15.0102 -60.9316 14.4312 -61.0752 30.4516 32.6507 17.0984 29.4981 -34.3949 TIMING: 3976600 CPU: 12574.6, 0.00316985/step Wall: 12574.6, 0.00316985/step, 0.901119 hours remaining, 238.753906 MB of memory in use. ENERGY: 3976600 3898.9903 20446.3487 14352.2872 229.7013 -203810.6354 2707.9343 0.0000 0.0000 52235.9814 -109939.3922 300.2009 -162175.3736 -109576.9034 297.9088 63.6902 93.9903 762328.5334 3.7163 3.6890 PRESSURE: 3976800 18.1665 118.859 -261.499 118.859 -220.199 59.054 -261.498 59.0537 10.6967 GPRESSURE: 3976800 36.5033 31.4548 -225.591 186.616 -137.289 92.8702 -134.634 39.9818 -21.9872 PRESSAVG: 3976800 1.23657 -89.8347 50.851 -89.8347 -8.71213 -17.2599 50.851 -17.2599 -4.79407 GPRESSAVG: 3976800 -0.911579 -91.7257 52.0665 -91.3821 -6.83918 -17.5591 50.9398 -14.4458 -5.09453 TIMING: 3976800 CPU: 12575.2, 0.00315452/step Wall: 12575.2, 0.00315452/step, 0.896585 hours remaining, 238.753906 MB of memory in use. ENERGY: 3976800 3980.1600 20553.9172 14449.7157 246.3622 -203687.9268 2729.4317 0.0000 0.0000 51927.5572 -109800.7827 298.4284 -161728.3399 -109434.0950 298.5702 -63.7787 -40.9242 762041.3548 -4.0899 -4.2818 PRESSURE: 3977000 248.923 2.37604 -228.293 2.37607 -9.22309 -93.9489 -228.293 -93.9485 367.388 GPRESSURE: 3977000 207.572 -8.84439 -204.934 57.6913 104.957 -30.7627 -190.792 -45.5286 386.109 PRESSAVG: 3977000 -10.751 15.1407 -30.3826 15.1408 51.6833 -14.3914 -30.3826 -14.3913 -8.53382 GPRESSAVG: 3977000 -10.2925 16.4236 -30.2616 15.7139 52.4507 -14.7505 -32.5731 -16.0085 -9.47453 TIMING: 3977000 CPU: 12575.8, 0.00314042/step Wall: 12575.8, 0.00314042/step, 0.892403 hours remaining, 238.753906 MB of memory in use. ENERGY: 3977000 3980.3967 20456.4101 14459.0759 249.5659 -203833.0491 2995.9185 0.0000 0.0000 51952.4932 -109739.1888 298.5717 -161691.6821 -109381.2543 298.4714 202.3625 232.8795 762253.0573 10.7995 10.8946 PRESSURE: 3977200 -14.7455 -19.944 95.8561 -19.9448 181.947 10.7571 95.8548 10.7571 -153.15 GPRESSURE: 3977200 -8.98339 25.6429 137.756 59.6691 196.724 142.492 158.927 -97.9465 -102.272 PRESSAVG: 3977200 -37.9367 -11.6258 14.7153 -11.6258 70.0659 -22.1509 14.7153 -22.1509 11.1696 GPRESSAVG: 3977200 -36.9985 -12.3643 14.8272 -11.2692 69.163 -21.0819 18.7075 -22.013 11.1569 TIMING: 3977200 CPU: 12576.5, 0.00316319/step Wall: 12576.5, 0.00316319/step, 0.898696 hours remaining, 238.753906 MB of memory in use. ENERGY: 3977200 4002.9029 20291.4046 14443.0396 260.7262 -203423.0923 2781.0174 0.0000 0.0000 51804.5599 -109839.4418 297.7215 -161644.0016 -109486.4355 298.3280 4.6837 28.4895 762665.2376 14.4329 14.4405 PRESSURE: 3977400 -274.469 -130.271 40.5202 -130.271 -29.3203 -129.937 40.5196 -129.936 -209.785 GPRESSURE: 3977400 -254.951 -49.3551 17.342 -13.4695 -19.1475 -121.755 -126.83 -134.567 -150.532 PRESSAVG: 3977400 29.243 36.9459 -29.662 36.9459 -3.74475 4.0448 -29.662 4.04485 -2.18998 GPRESSAVG: 3977400 30.1621 37.1648 -29.7143 36.8997 -4.61668 2.39167 -32.1495 4.12675 -2.23105 TIMING: 3977400 CPU: 12577.1, 0.0031601/step Wall: 12577.1, 0.0031601/step, 0.897643 hours remaining, 238.753906 MB of memory in use. ENERGY: 3977400 3994.9433 20340.2796 14360.5403 265.3672 -203618.8792 2701.7878 0.0000 0.0000 52308.9033 -109647.0577 300.6200 -161955.9611 -109277.1384 298.6969 -171.1914 -141.5435 762132.9774 7.7694 7.7715 PRESSURE: 3977600 -50.6349 -13.0785 178.331 -13.0782 133.913 144.672 178.331 144.671 -176.143 GPRESSURE: 3977600 -18.926 47.4289 159.351 -17.7945 219.057 152.542 302.486 191.509 -218.013 PRESSAVG: 3977600 0.884674 -5.72075 6.05574 -5.72073 -33.1046 17.4751 6.0558 17.4751 -11.959 GPRESSAVG: 3977600 0.455055 -4.06823 6.5025 -5.76008 -33.0616 17.1498 5.21815 18.0148 -11.3366 TIMING: 3977600 CPU: 12577.7, 0.00316967/step Wall: 12577.7, 0.00316967/step, 0.900188 hours remaining, 238.753906 MB of memory in use. ENERGY: 3977600 3968.2646 20504.8360 14390.7612 240.0740 -203268.7287 2477.6396 0.0000 0.0000 52151.3466 -109535.8067 299.7145 -161687.1533 -109171.5570 298.8992 -30.9552 -5.9607 760871.0136 -14.7263 -14.6477 PRESSURE: 3977800 188.511 -39.2617 -24.8043 -39.2617 -125.004 172.975 -24.804 172.975 -243.763 GPRESSURE: 3977800 148.026 -19.919 -37.6974 121.866 -75.95 99.6257 21.0885 151.597 -179.314 PRESSAVG: 3977800 62.5444 12.4411 54.0481 12.4411 -71.4493 47.3058 54.0481 47.3058 -3.56172 GPRESSAVG: 3977800 60.8387 11.1952 54.7383 12.3372 -70.1603 49.2656 55.812 48.2537 -3.28514 TIMING: 3977800 CPU: 12578.4, 0.00315392/step Wall: 12578.4, 0.00315392/step, 0.895538 hours remaining, 238.753906 MB of memory in use. ENERGY: 3977800 4015.9270 20581.4333 14418.0945 229.6620 -203261.7672 2396.5274 0.0000 0.0000 51984.9308 -109635.1922 298.7581 -161620.1230 -109271.8760 298.7563 -60.0853 -35.7461 760424.3587 -4.1555 -4.2022 PRESSURE: 3978000 177.322 -186.421 264.518 -186.422 -29.8365 -1.82855 264.518 -1.82779 212.823 GPRESSURE: 3978000 334.759 -59.7427 219.057 -156.669 -43.1982 -69.4064 284.06 -111.812 159.471 PRESSAVG: 3978000 -24.3975 -8.50607 -8.70842 -8.50608 13.5752 18.9523 -8.70843 18.9523 11.3929 GPRESSAVG: 3978000 -23.3612 -6.93786 -10.7031 -7.89238 12.9922 18.6609 -9.40511 16.9608 10.9038 TIMING: 3978000 CPU: 12579, 0.00314829/step Wall: 12579, 0.00314829/step, 0.893765 hours remaining, 238.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3978000 4001.7131 20477.1084 14434.0904 248.2699 -203811.4210 2765.5695 0.0000 0.0000 52074.4459 -109810.2239 299.2726 -161884.6697 -109434.0210 298.6593 120.1026 150.3439 759584.7622 0.1902 0.1783 PRESSURE: 3978200 277.535 -26.5572 -262.716 -26.5567 148.279 -118.694 -262.716 -118.693 63.4032 GPRESSURE: 3978200 270.534 -23.3976 -189.867 -58.7456 176.592 -126.142 -196.959 -185.708 120.218 PRESSAVG: 3978200 -1.64973 18.3772 13.2655 18.3771 16.4753 -43.4116 13.2655 -43.4116 3.49656 GPRESSAVG: 3978200 -1.64197 20.8368 16.7191 14.2648 15.7471 -42.5183 12.8544 -45.7173 3.73776 TIMING: 3978200 CPU: 12579.6, 0.00315105/step Wall: 12579.6, 0.00315105/step, 0.894372 hours remaining, 238.753906 MB of memory in use. ENERGY: 3978200 3944.0970 20645.8220 14517.7908 271.6412 -203882.9933 2842.6746 0.0000 0.0000 51802.8917 -109858.0758 297.7119 -161660.9675 -109508.1323 298.7956 163.0723 189.1146 758935.4425 6.1074 5.9476 PRESSURE: 3978400 165.757 -83.7981 74.222 -83.7983 68.9594 -40.7457 74.2226 -40.7458 79.1969 GPRESSURE: 3978400 102.521 -21.5008 34.3832 -175.435 165.17 -44.2731 -42.0564 32.2225 117.404 PRESSAVG: 3978400 -12.4467 -46.2286 19.8431 -46.2286 -10.2911 0.444429 19.8431 0.444414 6.00283 GPRESSAVG: 3978400 -12.0853 -50.6943 18.2788 -44.7609 -9.48214 0.469451 19.5225 2.75657 5.42405 TIMING: 3978400 CPU: 12580.3, 0.00314776/step Wall: 12580.3, 0.00314776/step, 0.893264 hours remaining, 238.753906 MB of memory in use. ENERGY: 3978400 3984.1786 20497.4540 14419.1162 264.2625 -203671.2308 2847.0105 0.0000 0.0000 52128.8785 -109530.3304 299.5854 -161659.2089 -109180.2187 298.9840 104.6379 128.3651 760885.5401 -5.5783 -5.3811 PRESSURE: 3978600 -209.986 50.4586 -84.9594 50.4585 140.375 61.7914 -84.9598 61.7906 428.073 GPRESSURE: 3978600 -38.5199 79.7271 -76.7455 12.7337 34.3339 12.0581 -111.371 -15.8902 462.601 PRESSAVG: 3978600 -12.9828 -41.1237 -8.73529 -41.1236 47.606 2.64916 -8.73528 2.64914 20.923 GPRESSAVG: 3978600 -12.9726 -38.6642 -9.93011 -41.3522 46.3235 2.67311 -7.45534 2.81396 21.8823 TIMING: 3978600 CPU: 12580.9, 0.00316564/step Wall: 12580.9, 0.00316564/step, 0.898162 hours remaining, 238.753906 MB of memory in use. ENERGY: 3978600 3943.7058 20404.9001 14487.8057 223.9796 -204024.4937 3048.8951 0.0000 0.0000 52023.2682 -109891.9392 298.9784 -161915.2074 -109513.2199 298.7383 119.4873 152.8050 760822.7667 18.5154 18.4111 PRESSURE: 3978800 -98.7462 -68.8944 -136.12 -68.894 -156.974 54.6549 -136.12 54.6551 -22.6866 GPRESSURE: 3978800 -66.9532 -112.343 -148.441 -45.8552 -136.962 32.5727 -30.5989 -49.5851 12.6337 PRESSAVG: 3978800 -71.7225 -1.19713 -3.69906 -1.19711 78.8067 -16.2296 -3.69909 -16.2296 28.2632 GPRESSAVG: 3978800 -71.3978 -2.58218 -3.48013 1.99039 80.2508 -19.3507 -3.85841 -16.0298 26.7306 TIMING: 3978800 CPU: 12581.5, 0.0031825/step Wall: 12581.5, 0.0031825/step, 0.902769 hours remaining, 238.753906 MB of memory in use. ENERGY: 3978800 3942.4796 20332.0111 14433.2853 239.0986 -203426.3303 2526.6894 0.0000 0.0000 51921.0190 -110031.7473 298.3908 -161952.7663 -109661.7283 298.2193 -92.8024 -63.7604 760996.7088 11.7824 11.8612 PRESSURE: 3979000 -107.003 196.387 -128.807 196.387 257.572 106.8 -128.807 106.8 147.016 GPRESSURE: 3979000 -105.97 160.134 -157.864 53.8237 289.618 131.945 -220.424 43.4296 208.883 PRESSAVG: 3979000 -67.3597 -60.3409 8.59226 -60.3409 43.4489 12.2944 8.59223 12.2944 -13.7485 GPRESSAVG: 3979000 -68.5569 -59.8782 11.589 -61.4396 43.1703 15.2039 6.74102 12.4075 -13.3216 TIMING: 3979000 CPU: 12582.2, 0.00315855/step Wall: 12582.2, 0.00315855/step, 0.895799 hours remaining, 238.753906 MB of memory in use. ENERGY: 3979000 4019.0041 20322.5868 14468.4369 238.8704 -203768.3226 2805.3687 0.0000 0.0000 52065.3608 -109848.6949 299.2203 -161914.0558 -109491.1989 298.0342 99.1949 130.8438 759864.2802 -12.5531 -12.9027 PRESSURE: 3979200 56.8098 134.208 66.7473 134.209 -230.826 275.794 66.7472 275.796 300.057 GPRESSURE: 3979200 88.026 172.278 138.886 109.425 -136.901 291.984 140.192 168.844 277.978 PRESSAVG: 3979200 27.7802 9.71894 12.5191 9.71887 -30.6621 -0.881234 12.5191 -0.881214 28.7894 GPRESSAVG: 3979200 28.3727 8.55244 9.58416 9.13479 -30.6335 -2.12057 13.8601 -2.97077 28.462 TIMING: 3979200 CPU: 12582.8, 0.00314727/step Wall: 12582.8, 0.00314727/step, 0.892426 hours remaining, 238.753906 MB of memory in use. ENERGY: 3979200 3965.2352 20358.2068 14482.9672 256.7151 -203790.6289 2781.9311 0.0000 0.0000 52130.2909 -109815.2825 299.5935 -161945.5734 -109442.0443 298.3655 42.0136 76.3676 759780.9297 8.6358 8.7338 PRESSURE: 3979400 40.5309 31.8919 -136.738 31.8919 3.53274 -33.1894 -136.738 -33.1883 -229.933 GPRESSURE: 3979400 58.615 55.159 -161.565 161.194 33.1375 -6.44356 -218.175 -50.3177 -189.837 PRESSAVG: 3979400 -12.8546 15.3872 21.1416 15.3873 13.6596 -28.8442 21.1416 -28.8441 4.87051 GPRESSAVG: 3979400 -12.926 16.0465 23.5281 15.371 12.9003 -27.085 21.3615 -29.4606 5.48058 TIMING: 3979400 CPU: 12583.4, 0.00314937/step Wall: 12583.4, 0.00314937/step, 0.892846 hours remaining, 238.753906 MB of memory in use. ENERGY: 3979400 3962.6078 20441.1798 14505.2933 252.4475 -203745.0720 2777.3303 0.0000 0.0000 51926.5125 -109879.7009 298.4224 -161806.2133 -109519.1794 298.5229 -61.9564 -32.6948 760649.5220 1.8918 1.8183 PRESSURE: 3979600 -356.026 -26.5341 285.222 -26.5352 -107.762 38.5694 285.222 38.5704 -129.263 GPRESSURE: 3979600 -254.55 -103.429 129.106 -103.533 -79.2864 54.3791 270.757 146.204 -186.436 PRESSAVG: 3979600 -2.12627 -3.34784 59.3007 -3.34781 -28.4278 -22.6431 59.3007 -22.6432 7.9609 GPRESSAVG: 3979600 -0.23788 -1.80446 56.9762 -2.77687 -28.865 -21.8998 57.3349 -22.6827 6.599 TIMING: 3979600 CPU: 12584, 0.00314794/step Wall: 12584, 0.00314794/step, 0.892266 hours remaining, 238.753906 MB of memory in use. ENERGY: 3979600 3928.2556 20465.6215 14542.9670 220.4780 -203117.1846 2357.1441 0.0000 0.0000 51693.5796 -109909.1389 297.0837 -161602.7185 -109542.6958 298.6415 -197.6840 -173.4241 760229.9155 -7.5311 -7.5013 PRESSURE: 3979800 169.503 -209.469 -184.929 -209.469 85.8642 -124.734 -184.929 -124.734 17.099 GPRESSURE: 3979800 301.124 -172.892 -176.219 -188.408 87.9756 -122.21 -108.221 -36.3301 -23.9205 PRESSAVG: 3979800 1.57857 5.37734 13.0009 5.3774 31.849 37.5391 13.001 37.5391 -19.6014 GPRESSAVG: 3979800 0.530406 4.26587 11.936 5.19186 32.8782 36.1075 12.9173 38.3501 -19.1998 TIMING: 3979800 CPU: 12584.7, 0.00314282/step Wall: 12584.7, 0.00314282/step, 0.890639 hours remaining, 238.753906 MB of memory in use. ENERGY: 3979800 3990.7089 20508.1754 14464.2512 255.8756 -203883.9608 2991.4065 0.0000 0.0000 51941.7118 -109731.8314 298.5097 -161673.5432 -109362.5673 298.9355 90.8222 121.7263 759892.2006 4.6087 4.7363 PRESSURE: 3980000 -216.465 14.2666 12.532 14.2665 50.5877 -94.07 12.5316 -94.0712 35.8096 GPRESSURE: 3980000 -140.731 37.5639 -9.16373 -50.1953 53.3689 -79.8095 59.3814 -215.39 64.9756 PRESSAVG: 3980000 -20.3399 -35.5653 12.1043 -35.5654 7.07379 -18.364 12.1043 -18.3641 -0.46624 GPRESSAVG: 3980000 -20.2057 -35.6911 12.9752 -35.9772 6.70993 -18.8139 12.8929 -18.2994 0.32507 TIMING: 3980000 CPU: 12585.3, 0.00316777/step Wall: 12585.3, 0.00316777/step, 0.897535 hours remaining, 238.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3980000 4040.8327 20450.3191 14420.6341 267.6543 -203740.1997 2768.4958 0.0000 0.0000 51952.4661 -109839.7977 298.5715 -161792.2638 -109475.2421 298.7253 -43.3560 -7.4621 759942.6576 -4.5775 -4.3902 PRESSURE: 3980200 -45.4599 -108.398 106.847 -108.398 18.5635 39.8711 106.846 39.8717 317.492 GPRESSURE: 3980200 -50.3627 -139.121 108.565 -63.3879 24.7472 56.628 124.229 203.653 384.433 PRESSAVG: 3980200 -53.2675 -7.48405 -6.44771 -7.48409 35.5623 -11.9066 -6.44772 -11.9066 34.4121 GPRESSAVG: 3980200 -53.5306 -6.65095 -6.46957 -7.03226 36.544 -11.2444 -4.51392 -10.4706 34.1986 TIMING: 3980200 CPU: 12585.9, 0.00316116/step Wall: 12585.9, 0.00316116/step, 0.895486 hours remaining, 238.753906 MB of memory in use. ENERGY: 3980200 3983.5668 20495.4425 14420.2660 254.4608 -203334.8026 2608.5867 0.0000 0.0000 51702.2407 -109870.2391 297.1335 -161572.4798 -109516.3135 298.2211 96.8651 119.6057 760538.6965 5.5689 5.7374 LDB: ============= START OF LOAD BALANCING ============== 12598.3 LDB: ============== END OF LOAD BALANCING =============== 12598.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12598.3 LDB: ============= START OF LOAD BALANCING ============== 12598.7 LDB: Largest compute 7031 load 0.033870 is 17.3% of average load 0.196177 LDB: Average compute 0.004379 is 2.2% of average load 0.196177 LDB: TIME 12598.7 LOAD: AVG 0.196177 MAX 0.220112 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 12598.7 LOAD: AVG 0.196177 MAX 0.220112 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 12598.7 LOAD: AVG 0.196177 MAX 0.218449 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 12598.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12598.7 PRESSURE: 3980400 -144.206 79.4203 110.03 79.4204 -347.034 -73.6515 110.03 -73.6512 -82.942 GPRESSURE: 3980400 -132.324 94.1198 161.129 118.097 -256.196 -125.537 21.1819 42.3038 -110.941 PRESSAVG: 3980400 40.3763 -39.3578 12.3314 -39.3578 20.3052 19.2704 12.3313 19.2704 -17.0148 GPRESSAVG: 3980400 40.6576 -39.0538 10.4881 -39.0858 19.0749 19.5642 12.3157 19.7564 -16.4872 TIMING: 3980400 CPU: 12586.6, 0.00323371/step Wall: 12586.6, 0.00323371/step, 0.915859 hours remaining, 239.050781 MB of memory in use. ENERGY: 3980400 3965.7403 20304.5979 14353.9854 242.6997 -203393.9294 2547.5513 0.0000 0.0000 52049.4650 -109929.8898 299.1290 -161979.3548 -109564.3596 298.4070 -191.3940 -166.4872 760877.5385 14.5555 14.4151 PRESSURE: 3980600 -67.3192 -61.4413 6.6864 -61.4414 87.5612 5.46369 6.68633 5.46484 -211.407 GPRESSURE: 3980600 -23.9372 -24.878 -0.326362 -12.5316 112.797 -11.3355 50.1443 -10.9957 -202.086 PRESSAVG: 3980600 -30.9322 -13.7129 60.2646 -13.7129 48.043 0.81874 60.2647 0.818719 35.59 GPRESSAVG: 3980600 -31.8219 -15.3989 62.1064 -13.1153 48.472 0.700217 59.8101 -0.122849 35.6833 TIMING: 3980600 CPU: 12587.2, 0.00317066/step Wall: 12587.2, 0.00317066/step, 0.897825 hours remaining, 239.050781 MB of memory in use. ENERGY: 3980600 3938.0003 20412.1117 14450.3463 229.1916 -203504.7121 2702.8952 0.0000 0.0000 51878.2389 -109893.9281 298.1450 -161772.1670 -109532.4715 298.1551 -63.7218 -37.7422 761174.3534 17.5669 17.4445 PRESSURE: 3980800 -237.733 221.705 -171.213 221.705 -169.874 125.657 -171.211 125.656 10.6506 GPRESSURE: 3980800 -182.631 83.4635 -42.6529 170.911 -99.8574 83.8632 -141.921 124.598 -7.65797 PRESSAVG: 3980800 -59.7777 -62.9077 -5.40045 -62.9076 40.8967 -7.78198 -5.40045 -7.78195 4.87231 GPRESSAVG: 3980800 -59.5523 -62.0674 -4.38871 -63.4933 40.166 -7.0762 -4.44252 -9.11186 4.81589 TIMING: 3980800 CPU: 12587.9, 0.00317475/step Wall: 12587.9, 0.00317475/step, 0.898806 hours remaining, 239.050781 MB of memory in use. ENERGY: 3980800 3985.4232 20422.1872 14405.2921 260.5251 -203284.5811 2543.9740 0.0000 0.0000 51902.1648 -109765.0146 298.2825 -161667.1794 -109402.2728 298.1977 -132.3189 -96.7155 761387.6878 -4.6696 -4.8568 PRESSURE: 3981000 -371.796 65.2826 51.3828 65.2821 -162.804 -149.294 51.3824 -149.293 -64.7351 GPRESSURE: 3981000 -361.256 15.3468 90.4109 21.4652 -124.56 -95.0668 -65.5063 -65.1254 -20.6972 PRESSAVG: 3981000 -74.4087 21.8166 -21.6968 21.8166 55.7166 -16.3281 -21.6969 -16.3281 -10.4389 GPRESSAVG: 3981000 -73.8589 21.0903 -22.1831 22.1962 55.8599 -17.2437 -24.7447 -13.842 -10.9487 TIMING: 3981000 CPU: 12588.5, 0.00316025/step Wall: 12588.5, 0.00316025/step, 0.894526 hours remaining, 239.050781 MB of memory in use. ENERGY: 3981000 4047.4523 20550.7445 14375.4606 261.1105 -203208.4895 2338.7616 0.0000 0.0000 51558.1490 -110076.8109 296.3054 -161634.9599 -109723.5890 298.0900 -199.7785 -168.8380 760781.6065 -9.7103 -9.6492 PRESSURE: 3981200 240.216 -135.882 -159.166 -135.882 121.916 -25.088 -159.166 -25.0889 -60.169 GPRESSURE: 3981200 264.441 -301.041 -75.214 -128.153 94.6158 -42.3222 -153.6 29.7619 2.82293 PRESSAVG: 3981200 -15.6689 -23.6095 -13.3635 -23.6096 13.6276 -19.4036 -13.3635 -19.4036 24.4426 GPRESSAVG: 3981200 -16.1547 -24.2423 -12.6155 -23.57 14.4787 -19.0319 -11.521 -19.0483 23.6891 TIMING: 3981200 CPU: 12589.1, 0.00314744/step Wall: 12589.1, 0.00314744/step, 0.890725 hours remaining, 239.050781 MB of memory in use. ENERGY: 3981200 3885.6914 20632.4426 14422.3053 235.8491 -203860.2242 2754.3319 0.0000 0.0000 51843.5957 -110086.0082 297.9459 -161929.6039 -109733.4428 297.7937 100.6546 120.6266 759834.9300 7.4671 7.3377 PRESSURE: 3981400 -161.918 -39.3432 -94.0339 -39.343 -1.16748 146 -94.0347 146.002 -202.465 GPRESSURE: 3981400 -85.3701 -76.4019 -70.453 4.35742 -28.4601 211.286 -149.412 62.6799 -190.792 PRESSAVG: 3981400 23.4483 3.80947 10.249 3.80939 -13.9859 7.13615 10.249 7.13609 -3.09462 GPRESSAVG: 3981400 24.0778 3.80723 8.87578 2.05611 -15.9177 6.95129 9.19908 7.34829 -1.97125 TIMING: 3981400 CPU: 12589.7, 0.00313181/step Wall: 12589.7, 0.00313181/step, 0.88613 hours remaining, 239.050781 MB of memory in use. ENERGY: 3981400 3960.9657 20524.5463 14396.8104 242.7430 -203347.7042 2486.2109 0.0000 0.0000 51514.1364 -110222.2914 296.0525 -161736.4278 -109860.8024 297.3881 -121.8499 -101.5407 761206.7725 2.1226 2.0630 PRESSURE: 3981600 -44.2378 67.4767 -28.2091 67.4764 -73.4389 31.0252 -28.2084 31.0248 -293.464 GPRESSURE: 3981600 -17.8693 -1.41101 -74.4914 24.4793 -40.6308 -11.3913 -29.8178 -19.2783 -264.441 PRESSAVG: 3981600 23.3402 -5.35127 88.9421 -5.35131 -9.48336 17.7224 88.9422 17.7223 11.6999 GPRESSAVG: 3981600 23.5261 -5.13342 89.5204 -4.68593 -9.01281 17.9575 89.7207 16.7368 11.5065 TIMING: 3981600 CPU: 12590.4, 0.0031425/step Wall: 12590.4, 0.0031425/step, 0.88898 hours remaining, 239.050781 MB of memory in use. ENERGY: 3981600 4002.3654 20370.5712 14405.4600 246.1264 -203531.3273 2506.1401 0.0000 0.0000 51879.1320 -110121.5322 298.1501 -162000.6642 -109757.0707 297.6705 -137.0469 -107.6469 760689.0617 8.5189 8.6733 PRESSURE: 3981800 -105.165 -55.176 -107.696 -55.1758 69.7115 253.348 -107.695 253.348 153.954 GPRESSURE: 3981800 -0.968508 38.0978 -70.7715 -69.7853 78.7661 252.215 -130.495 256.803 107.825 PRESSAVG: 3981800 -11.6438 -61.7858 -12.0845 -61.7858 35.3665 17.9536 -12.0845 17.9537 1.33469 GPRESSAVG: 3981800 -11.7362 -61.2252 -12.178 -62.0323 36.7912 15.805 -11.5864 18.1844 0.705727 TIMING: 3981800 CPU: 12591, 0.00312972/step Wall: 12591, 0.00312972/step, 0.88519 hours remaining, 239.050781 MB of memory in use. ENERGY: 3981800 3949.8156 20440.6438 14472.7265 238.3347 -203587.7667 2584.6893 0.0000 0.0000 51794.1722 -110107.3847 297.6618 -161901.5569 -109749.6070 297.8927 39.5000 61.8741 759327.8925 8.3525 8.5869 PRESSURE: 3982000 -185.618 -1.52953 33.1039 -1.52948 144.344 59.8857 33.1037 59.8858 -334.201 GPRESSURE: 3982000 -141.84 -66.1528 -17.2238 -43.0819 171.093 75.4723 15.1343 154.602 -306.399 PRESSAVG: 3982000 8.37055 1.3569 60.6155 1.35689 4.79048 44.9448 60.6156 44.9448 -2.47094 GPRESSAVG: 3982000 9.09456 2.56105 60.3608 1.12813 4.2894 47.5207 60.5477 43.1714 -2.99187 TIMING: 3982000 CPU: 12591.6, 0.003148/step Wall: 12591.6, 0.003148/step, 0.890186 hours remaining, 239.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3982000 4039.6248 20417.5673 14369.7880 254.1589 -203131.6903 2197.2028 0.0000 0.0000 51969.6117 -109883.7368 298.6701 -161853.3484 -109519.6509 298.2062 -125.1582 -92.3820 760421.6356 3.5634 3.4640 PRESSURE: 3982200 -211.651 -171.724 157.008 -171.724 -184.187 141.834 157.008 141.835 -438.363 GPRESSURE: 3982200 -274.166 -135.505 125.381 -215.201 -69.7357 193.447 214.569 137.41 -380.104 PRESSAVG: 3982200 -21.8527 42.2116 29.8019 42.2116 34.3128 -1.53052 29.8018 -1.5305 3.75262 GPRESSAVG: 3982200 -24.7654 39.3414 29.2665 41.2911 34.887 -1.25306 30.2029 -0.589389 6.09059 TIMING: 3982200 CPU: 12592.3, 0.00316664/step Wall: 12592.3, 0.00316664/step, 0.89528 hours remaining, 239.050781 MB of memory in use. ENERGY: 3982200 3982.5839 20534.2948 14507.6609 246.2536 -203672.1406 2531.6553 0.0000 0.0000 51858.9764 -110010.7156 298.0343 -161869.6920 -109650.2980 297.8397 -278.0671 -241.3353 761010.5627 5.4043 5.4041 PRESSURE: 3982400 34.9761 104.023 90.5397 104.024 275.918 -117.233 90.5397 -117.233 166.98 GPRESSURE: 3982400 203.253 140.359 127.728 18.0873 181.684 -124.63 256.585 -23.1995 154.745 PRESSAVG: 3982400 1.6768 16.2738 30.5878 16.2738 36.0745 -2.78808 30.5878 -2.78809 -25.0139 GPRESSAVG: 3982400 4.15941 17.6815 31.2728 16.6588 35.8582 -3.75562 30.8159 -1.3213 -27.2633 TIMING: 3982400 CPU: 12592.9, 0.00314856/step Wall: 12592.9, 0.00314856/step, 0.889993 hours remaining, 239.050781 MB of memory in use. ENERGY: 3982400 3934.8789 20504.7775 14493.2174 252.1214 -203949.2000 2953.6276 0.0000 0.0000 51931.6492 -109878.9281 298.4519 -161810.5773 -109519.3399 298.3575 159.2912 179.8941 759299.6331 4.2458 4.2514 PRESSURE: 3982600 154.692 146.091 16.3932 146.091 -301.135 -98.8577 16.3917 -98.8589 58.5615 GPRESSURE: 3982600 101.116 181.883 8.92565 72.4931 -286.658 -100.124 36.2179 -68.0773 181.988 PRESSAVG: 3982600 35.6315 7.92235 44.546 7.92236 -2.7772 24.6651 44.546 24.665 31.9461 GPRESSAVG: 3982600 35.7957 8.44159 45.2906 6.97328 -3.40022 22.6665 43.096 23.2804 32.8195 TIMING: 3982600 CPU: 12593.5, 0.00315788/step Wall: 12593.5, 0.00315788/step, 0.892451 hours remaining, 239.050781 MB of memory in use. ENERGY: 3982600 3979.1228 20526.7417 14472.0503 234.6083 -203563.2176 2702.1414 0.0000 0.0000 51997.6303 -109650.9228 298.8311 -161648.5532 -109289.1471 298.6845 -29.2937 -1.1848 760879.1446 21.6001 21.7383 PRESSURE: 3982800 68.4581 86.1598 -6.9784 86.1598 -70.2055 153.175 -6.97816 153.175 -182.334 GPRESSURE: 3982800 25.9459 114.012 -67.8883 99.9817 52.0199 153.666 -15.3316 219.338 -170.399 PRESSAVG: 3982800 36.7262 -18.6452 63.1946 -18.6452 6.86986 30.9829 63.1946 30.9828 -10.6622 GPRESSAVG: 3982800 36.2665 -21.8352 62.988 -15.855 6.94354 31.4052 64.0006 32.6996 -9.58066 TIMING: 3982800 CPU: 12594.2, 0.00315304/step Wall: 12594.2, 0.00315304/step, 0.890908 hours remaining, 239.050781 MB of memory in use. ENERGY: 3982800 4049.2990 20434.0554 14501.0916 258.3108 -203590.2738 2918.4485 0.0000 0.0000 51868.6437 -109560.4248 298.0898 -161429.0685 -109194.0529 298.9704 -61.3603 -30.8109 761336.4654 10.9780 11.2098 PRESSURE: 3983000 153.563 229.039 89.0344 229.038 -41.5054 -140.432 89.0344 -140.432 441.528 GPRESSURE: 3983000 259.607 123.872 30.0819 276.709 -5.7989 -96.3735 28.9882 -181.338 384.874 PRESSAVG: 3983000 -6.47239 42.8673 31.2612 42.8673 60.5522 20.1058 31.2612 20.1059 19.2072 GPRESSAVG: 3983000 -7.43734 45.5382 30.7528 42.9426 61.3651 21.5661 31.8953 17.7324 18.9624 TIMING: 3983000 CPU: 12594.8, 0.0031604/step Wall: 12594.8, 0.0031604/step, 0.892812 hours remaining, 239.050781 MB of memory in use. ENERGY: 3983000 3983.3475 20342.8438 14489.0681 269.6317 -203475.0792 2812.3198 0.0000 0.0000 51858.4096 -109719.4586 298.0310 -161577.8682 -109362.5457 298.5236 184.5287 212.8942 762737.4411 24.4290 24.2967 PRESSURE: 3983200 -132.745 -243.316 -76.1229 -243.316 -53.9401 -73.805 -76.1227 -73.8056 -144.122 GPRESSURE: 3983200 6.41683 -267.761 -58.0485 -330.721 -129.277 -37.9882 -76.5944 -55.265 -108.352 PRESSAVG: 3983200 -46.2735 -7.1951 40.903 -7.19516 -7.68054 -17.1843 40.9031 -17.1843 19.261 GPRESSAVG: 3983200 -44.7658 -9.3453 40.6582 -8.28669 -8.03082 -18.1022 40.4704 -16.903 18.5894 TIMING: 3983200 CPU: 12595.4, 0.00315812/step Wall: 12595.4, 0.00315812/step, 0.891994 hours remaining, 239.050781 MB of memory in use. ENERGY: 3983200 3995.1533 20267.4097 14443.4792 248.9839 -203200.8440 2574.9459 0.0000 0.0000 52037.2824 -109633.5895 299.0590 -161670.8719 -109273.2986 298.5760 -110.2693 -77.0708 762539.0007 -11.5643 -11.4024 PRESSURE: 3983400 251.097 57.1639 -13.1643 57.1633 112.407 -51.0774 -13.1645 -51.077 343.088 GPRESSURE: 3983400 260.867 -16.5133 40.791 187.622 229.905 -105.121 -43.167 -93.7098 318.063 PRESSAVG: 3983400 -12.4174 -12.4119 31.4743 -12.4118 -26.2841 -25.7025 31.4743 -25.7025 -5.28372 GPRESSAVG: 3983400 -12.1959 -9.9955 33.3034 -10.3706 -26.6652 -26.8141 30.7322 -24.1966 -5.52752 TIMING: 3983400 CPU: 12596.1, 0.00316087/step Wall: 12596.1, 0.00316087/step, 0.892594 hours remaining, 239.050781 MB of memory in use. ENERGY: 3983400 3946.1147 20341.7606 14448.0052 253.3073 -203443.8527 2830.3023 0.0000 0.0000 51881.5532 -109742.8095 298.1640 -161624.3627 -109389.2632 298.2582 235.5306 269.6115 761472.1783 -14.6617 -14.7962 PRESSURE: 3983600 -49.7982 -67.272 -93.2689 -67.2717 41.6881 -27.1254 -93.2682 -27.1245 300.088 GPRESSURE: 3983600 -77.0407 -45.5113 -61.3603 -70.6128 171.66 -12.7082 -55.5929 -34.2201 297.692 PRESSAVG: 3983600 1.52231 -22.913 30.8191 -22.913 19.9644 -3.60479 30.8191 -3.60474 7.99339 GPRESSAVG: 3983600 1.19322 -22.4455 30.5846 -24.7954 18.9933 -1.70075 32.7355 -6.11552 9.31466 TIMING: 3983600 CPU: 12596.7, 0.00316269/step Wall: 12596.7, 0.00316269/step, 0.892934 hours remaining, 239.050781 MB of memory in use. ENERGY: 3983600 3916.6047 20396.9090 14435.5125 250.0484 -203431.6551 2474.9404 0.0000 0.0000 52153.1557 -109804.4845 299.7249 -161957.6402 -109446.0153 298.7688 97.3260 130.7706 760484.6642 9.8267 9.8337 PRESSURE: 3983800 83.3088 -158.757 14.688 -158.758 -291.155 -169.775 14.6881 -169.775 -103.601 GPRESSURE: 3983800 72.6886 -172.433 -0.554881 -169.853 -214.587 -135.099 -2.69955 -123.423 -100.451 PRESSAVG: 3983800 11.2071 -26.4846 119.478 -26.4846 -11.2908 -14.4951 119.478 -14.4951 3.48696 GPRESSAVG: 3983800 11.7718 -27.181 119.49 -25.7192 -10.0122 -14.623 118.16 -14.048 1.54138 TIMING: 3983800 CPU: 12597.3, 0.00316503/step Wall: 12597.3, 0.00316503/step, 0.893418 hours remaining, 239.050781 MB of memory in use. ENERGY: 3983800 4030.6136 20314.0548 14556.8933 247.8112 -203581.2517 2451.7074 0.0000 0.0000 51815.6843 -110164.4871 297.7855 -161980.1714 -109795.6755 298.0280 -103.8158 -80.7829 760979.5077 1.1344 1.1003 PRESSURE: 3984000 -198.715 -40.7257 -58.682 -40.7263 -209.816 -1.50486 -58.6824 -1.50546 -297.572 GPRESSURE: 3984000 -187.022 -58.1416 -58.6086 -23.4462 -145.17 -93.4394 -47.8883 26.6371 -295.248 PRESSAVG: 3984000 60.2893 -26.5147 43.951 -26.5148 -18.1127 -11.596 43.951 -11.5961 -4.44352 GPRESSAVG: 3984000 59.4694 -26.5215 44.2574 -26.0381 -19.125 -12.1432 42.827 -10.5018 -3.04904 TIMING: 3984000 CPU: 12597.9, 0.00314574/step Wall: 12597.9, 0.00314574/step, 0.887798 hours remaining, 239.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3984000 3940.5823 20489.6069 14442.9156 247.4256 -203724.3190 2601.6218 0.0000 0.0000 51859.6259 -110142.5410 298.0380 -162002.1669 -109792.7463 297.7443 -235.3678 -209.1465 760311.5732 12.5777 12.4318 PRESSURE: 3984200 -130.513 -120.239 34.3131 -120.239 -196.662 92.4605 34.3125 92.46 -137.988 GPRESSURE: 3984200 -114.624 -76.9981 -32.5773 -181.634 -108.025 166.099 21.6299 16.1211 -155.553 PRESSAVG: 3984200 -7.34213 11.6335 45.1501 11.6335 -20.9754 -16.081 45.1501 -16.081 -6.29356 GPRESSAVG: 3984200 -7.21452 12.4291 45.404 10.6425 -21.2274 -16.3934 46.7511 -16.5859 -6.24787 TIMING: 3984200 CPU: 12598.6, 0.00314758/step Wall: 12598.6, 0.00314758/step, 0.888143 hours remaining, 239.050781 MB of memory in use. ENERGY: 3984200 3921.0207 20427.8363 14440.4739 252.7275 -203863.6072 2794.4330 0.0000 0.0000 52119.9381 -109907.1777 299.5340 -162027.1158 -109545.3660 298.3065 -155.0542 -126.0677 761313.0573 -11.5370 -11.5633 LDB: ============= START OF LOAD BALANCING ============== 12611 LDB: ============== END OF LOAD BALANCING =============== 12611 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12611 LDB: ============= START OF LOAD BALANCING ============== 12611.3 LDB: Largest compute 7031 load 0.031993 is 16.3% of average load 0.196151 LDB: Average compute 0.004381 is 2.2% of average load 0.196151 LDB: TIME 12611.3 LOAD: AVG 0.196151 MAX 0.220137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.957 MB LDB: TIME 12611.3 LOAD: AVG 0.196151 MAX 0.220137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: TIME 12611.3 LOAD: AVG 0.196151 MAX 0.218253 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: ============== END OF LOAD BALANCING =============== 12611.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12611.3 PRESSURE: 3984400 204.197 -233.857 52.7626 -233.856 65.3688 -230.263 52.7624 -230.263 233.85 GPRESSURE: 3984400 208.807 -193.483 36.5024 -253.751 109.37 -259.272 34.1698 -246.075 264.463 PRESSAVG: 3984400 -20.6656 -62.5909 49.6058 -62.5909 42.6252 27.9556 49.6058 27.9557 6.23572 GPRESSAVG: 3984400 -21.7516 -63.7368 49.7948 -62.0918 42.3357 27.5521 47.7521 27.6378 6.50804 TIMING: 3984400 CPU: 12599.2, 0.00320564/step Wall: 12599.2, 0.00320564/step, 0.904346 hours remaining, 237.246094 MB of memory in use. ENERGY: 3984400 4048.2612 20722.4860 14463.5639 234.8354 -203709.4901 2739.2455 0.0000 0.0000 51598.2998 -109902.7983 296.5361 -161501.0981 -109553.0513 298.4518 167.8053 194.2133 760182.9177 9.3984 9.0307 PRESSURE: 3984600 97.0968 -26.5033 -92.2206 -26.5029 -133.19 24.173 -92.2206 24.1721 -225.939 GPRESSURE: 3984600 78.4898 69.8282 -147.018 -65.7446 -96.1099 9.64938 19.0595 46.2051 -168.864 PRESSAVG: 3984600 38.065 -68.2209 8.73254 -68.221 -2.92515 -66.305 8.73251 -66.305 2.9114 GPRESSAVG: 3984600 39.0297 -69.7451 7.08209 -67.7831 -3.37116 -65.735 10.997 -63.9068 2.2157 TIMING: 3984600 CPU: 12599.8, 0.00313902/step Wall: 12599.8, 0.00313902/step, 0.885378 hours remaining, 237.246094 MB of memory in use. ENERGY: 3984600 3966.5878 20618.2394 14459.7832 241.1873 -203577.7267 2465.3307 0.0000 0.0000 52028.1398 -109798.4585 299.0064 -161826.5983 -109435.5350 298.7142 -87.3441 -62.1614 760234.0665 12.6838 12.6247 PRESSURE: 3984800 -10.3829 -13.0431 -115.388 -13.044 -82.6336 -40.0625 -115.389 -40.0627 -164.949 GPRESSURE: 3984800 -0.663324 95.5532 -165.92 -24.5775 9.5746 -3.76987 -55.6989 -25.6405 -169.121 PRESSAVG: 3984800 -1.60424 -39.439 -47.9548 -39.4391 -17.3832 -104.701 -47.9548 -104.701 14.4742 GPRESSAVG: 3984800 -1.93342 -37.5138 -49.0432 -39.0317 -17.1734 -103.468 -46.5535 -107.55 14.0089 TIMING: 3984800 CPU: 12600.5, 0.00316194/step Wall: 12600.5, 0.00316194/step, 0.891667 hours remaining, 237.246094 MB of memory in use. ENERGY: 3984800 3974.5743 20479.7827 14495.3499 257.5108 -203953.1867 2732.0646 0.0000 0.0000 52037.9299 -109975.9745 299.0627 -162013.9044 -109608.5270 298.2664 -85.9886 -53.4032 758737.0080 -1.5044 -1.6993 PRESSURE: 3985000 -99.192 -93.2892 10.852 -93.2888 106.153 108.583 10.8525 108.584 38.2516 GPRESSURE: 3985000 66.3978 -25.7671 32.4495 -85.6515 57.858 46.5444 -26.0279 58.1656 20.0689 PRESSAVG: 3985000 33.0252 -23.3021 -51.1771 -23.3021 -31.0337 -34.0846 -51.1771 -34.0846 24.9443 GPRESSAVG: 3985000 33.8947 -22.4884 -50.8331 -23.5252 -31.9182 -34.7187 -52.5489 -33.7805 24.8385 TIMING: 3985000 CPU: 12601.1, 0.00315371/step Wall: 12601.1, 0.00315371/step, 0.88917 hours remaining, 237.246094 MB of memory in use. ENERGY: 3985000 3873.1260 20568.9174 14494.6231 229.1009 -203596.8804 2728.7395 0.0000 0.0000 51823.1062 -109879.2674 297.8281 -161702.3736 -109517.3988 298.3954 15.0710 48.1082 760336.1648 8.9786 8.9383 PRESSURE: 3985200 5.8411 -96.5144 13.183 -96.5143 -105.963 -43.013 13.1841 -43.0143 12.1092 GPRESSURE: 3985200 -45.6251 -44.5522 26.5782 -180.487 9.49739 0.388239 -13.9313 -73.1187 26.4279 PRESSAVG: 3985200 88.3397 -34.766 -30.0128 -34.766 -47.3295 -17.5478 -30.0129 -17.5479 -10.0723 GPRESSAVG: 3985200 86.355 -37.8576 -29.1062 -35.0431 -46.5768 -20.3575 -30.0211 -15.8995 -8.72423 TIMING: 3985200 CPU: 12601.7, 0.00314934/step Wall: 12601.7, 0.00314934/step, 0.887765 hours remaining, 237.246094 MB of memory in use. ENERGY: 3985200 3970.3147 20379.7937 14414.3844 245.6481 -204103.7565 2851.1490 0.0000 0.0000 52218.8661 -110023.6004 300.1025 -162242.4665 -109654.2402 298.2567 -29.3374 -3.2333 758504.6504 10.3126 10.3513 PRESSURE: 3985400 -106.335 127.498 203.799 127.498 -182.806 -174.543 203.799 -174.542 -10.5551 GPRESSURE: 3985400 -41.7075 146.6 117.472 279.811 -137.263 -95.7942 161.227 -282.011 -29.6703 PRESSAVG: 3985400 -44.0558 30.4077 -26.8049 30.4077 25.8244 -30.5078 -26.805 -30.5078 1.18151 GPRESSAVG: 3985400 -42.7339 33.634 -26.3859 29.8505 26.1091 -28.2742 -27.7276 -30.7772 -0.341108 TIMING: 3985400 CPU: 12602.4, 0.00317399/step Wall: 12602.4, 0.00317399/step, 0.894535 hours remaining, 237.246094 MB of memory in use. ENERGY: 3985400 3957.6490 20237.1501 14484.9894 234.8989 -203481.5045 2582.0019 0.0000 0.0000 51952.0514 -110032.7638 298.5692 -161984.8152 -109669.8846 297.4874 -99.8984 -69.5469 760704.8155 -5.6833 -5.6553 PRESSURE: 3985600 -193.671 128.698 -123.823 128.697 -180.909 117.28 -123.824 117.28 131.427 GPRESSURE: 3985600 -131.768 36.2078 -57.547 183.829 -163.969 121.552 -14.4212 117.462 145.811 PRESSAVG: 3985600 35.3032 -11.1809 -26.9888 -11.181 11.9288 30.6376 -26.9888 30.6375 -12.8565 GPRESSAVG: 3985600 34.3237 -11.1056 -25.3207 -12.0125 12.1531 31.7708 -28.3794 30.1291 -11.5126 TIMING: 3985600 CPU: 12603, 0.00315172/step Wall: 12603, 0.00315171/step, 0.888083 hours remaining, 237.246094 MB of memory in use. ENERGY: 3985600 3978.6427 20623.5060 14418.2491 241.9185 -203392.3801 2684.8995 0.0000 0.0000 51682.5430 -109762.6213 297.0203 -161445.1643 -109407.1959 298.2008 -81.0507 -49.9753 763218.2159 11.4585 11.6548 PRESSURE: 3985800 58.4093 174.26 -132.223 174.26 -453.028 130.289 -132.224 130.289 -184.297 GPRESSURE: 3985800 101.256 138.564 -220.701 150.41 -417.308 78.1489 -85.8916 20.5765 -164.756 PRESSAVG: 3985800 74.0861 11.1272 -24.8147 11.1271 -28.143 47.142 -24.8147 47.142 5.3946 GPRESSAVG: 3985800 74.3455 8.45657 -28.9046 13.3652 -27.0525 45.5286 -21.7449 48.7515 4.20515 TIMING: 3985800 CPU: 12603.6, 0.00315179/step Wall: 12603.6, 0.00315179/step, 0.88793 hours remaining, 237.246094 MB of memory in use. ENERGY: 3985800 4048.6494 20439.5837 14441.7401 240.4488 -203643.1921 2687.5435 0.0000 0.0000 51836.0871 -109949.1395 297.9027 -161785.2266 -109581.0286 297.9064 -192.9719 -160.2691 760062.3801 17.1126 17.1661 PRESSURE: 3986000 -10.0107 -66.3846 -175.267 -66.3846 325.343 -104.035 -175.268 -104.034 208.273 GPRESSURE: 3986000 25.006 -113.286 -163.79 96.7438 317.187 -148.667 -57.1518 -128.301 256.314 PRESSAVG: 3986000 -22.2063 -17.9748 -23.3632 -17.9748 0.864205 30.4281 -23.3633 30.4281 -24.5417 GPRESSAVG: 3986000 -22.188 -15.5674 -20.5197 -19.7061 0.257419 31.273 -27.2829 27.7252 -24.1278 TIMING: 3986000 CPU: 12604.3, 0.00314532/step Wall: 12604.3, 0.00314532/step, 0.885933 hours remaining, 237.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3986000 3970.3165 20504.0942 14472.1604 251.2505 -203658.2446 2740.7071 0.0000 0.0000 51829.0549 -109890.6611 297.8623 -161719.7160 -109538.0087 298.2062 174.5353 199.5023 760915.3681 -15.2946 -15.3528 PRESSURE: 3986200 -114.875 42.0543 124.105 42.0541 -278.373 -33.7017 124.104 -33.7018 48.1785 GPRESSURE: 3986200 1.67205 -31.2066 117.078 81.3445 -228.53 43.4051 168.944 -12.5548 -39.562 PRESSAVG: 3986200 -47.1261 -53.3212 11.0738 -53.3212 43.5531 7.74032 11.0738 7.74029 20.4699 GPRESSAVG: 3986200 -47.2431 -53.5879 11.1072 -52.5701 43.7085 5.65586 14.4053 9.25998 20.2854 TIMING: 3986200 CPU: 12604.9, 0.00315305/step Wall: 12604.9, 0.00315305/step, 0.887933 hours remaining, 237.246094 MB of memory in use. ENERGY: 3986200 4060.5081 20512.2088 14482.9408 241.1901 -203571.5950 2622.8955 0.0000 0.0000 51946.5344 -109705.3173 298.5374 -161651.8517 -109344.2400 299.1773 -115.0231 -88.8067 763373.5030 5.6323 5.5836 PRESSURE: 3986400 -123.693 -199.239 -31.9631 -199.239 95.1284 -65.041 -31.963 -65.0414 251.646 GPRESSURE: 3986400 -137.625 -93.6725 -96.1749 -152.029 246.275 -53.9916 -37.1784 -229.746 235.686 PRESSAVG: 3986400 -31.5334 2.48663 33.7514 2.48663 32.4043 -6.23837 33.7514 -6.23826 -0.592219 GPRESSAVG: 3986400 -31.0507 2.5583 32.9865 1.04865 31.3522 -5.24989 34.2184 -4.98104 0.419124 TIMING: 3986400 CPU: 12605.5, 0.00313966/step Wall: 12605.5, 0.00313966/step, 0.883988 hours remaining, 237.246094 MB of memory in use. ENERGY: 3986400 4061.7240 20580.0105 14414.1093 247.9024 -203741.2696 2812.2333 0.0000 0.0000 52011.4867 -109613.8034 298.9107 -161625.2901 -109262.0428 298.8534 74.3606 114.7787 762581.8315 0.0929 0.2402 PRESSURE: 3986600 0.707061 -143.074 -119.919 -143.073 -104.826 -13.6633 -119.919 -13.6632 -682.218 GPRESSURE: 3986600 32.2319 37.0976 -81.9975 -147.2 -146.326 -75.0941 -30.4527 -11.1168 -591.561 PRESSAVG: 3986600 -29.2694 -16.5608 -25.3656 -16.5607 26.6169 -15.7435 -25.3656 -15.7435 20.8506 GPRESSAVG: 3986600 -29.4059 -16.7741 -23.7729 -15.8859 26.7323 -15.2194 -26.3244 -17.7489 20.8119 TIMING: 3986600 CPU: 12606.2, 0.00317329/step Wall: 12606.2, 0.00317329/step, 0.89328 hours remaining, 237.246094 MB of memory in use. ENERGY: 3986600 4010.1839 20444.1704 14473.3666 224.6418 -203523.8549 2617.5264 0.0000 0.0000 51882.5379 -109871.4279 298.1697 -161753.9659 -109510.5723 298.3941 -262.1123 -235.2183 761895.1375 6.0660 6.0461 PRESSURE: 3986800 196.738 -21.8354 74.2743 -21.835 135.207 96.0856 74.2741 96.0866 45.6275 GPRESSURE: 3986800 209.887 -55.9892 72.0942 -45.7003 190.277 111.465 -60.8137 44.3494 45.7807 PRESSAVG: 3986800 18.4654 -46.8198 -2.4326 -46.8197 0.0265478 -5.40371 -2.43257 -5.40363 13.3118 GPRESSAVG: 3986800 18.9895 -46.1731 -4.08831 -48.089 0.85061 -6.131 -2.7916 -3.86681 11.8298 TIMING: 3986800 CPU: 12606.8, 0.00317173/step Wall: 12606.8, 0.00317173/step, 0.892665 hours remaining, 237.246094 MB of memory in use. ENERGY: 3986800 3889.7146 20408.7966 14489.3491 246.1216 -203536.7392 2693.0572 0.0000 0.0000 51711.6608 -110098.0393 297.1876 -161809.7001 -109733.8625 297.9768 125.8576 148.6481 761264.3067 10.6012 10.5566 PRESSURE: 3987000 -464.919 99.2118 137.935 99.2119 -138.737 -225.556 137.935 -225.556 -231.031 GPRESSURE: 3987000 -359.808 6.77078 6.84968 64.044 -77.9094 -152.59 118.428 -80.7014 -335.146 PRESSAVG: 3987000 -20.4264 -1.90396 35.8848 -1.90397 25.1588 -18.1664 35.8848 -18.1664 8.89562 GPRESSAVG: 3987000 -20.4659 -1.51874 36.2748 -0.282365 23.9895 -16.9559 36.1697 -19.0612 10.0541 TIMING: 3987000 CPU: 12607.4, 0.00317724/step Wall: 12607.4, 0.00317724/step, 0.894039 hours remaining, 237.246094 MB of memory in use. ENERGY: 3987000 3985.4239 20218.5495 14459.7008 226.1892 -203474.6033 2632.4022 0.0000 0.0000 52135.1682 -109817.1695 299.6215 -161952.3377 -109453.5571 298.4241 -278.2291 -257.6213 762382.9584 4.5427 4.5259 PRESSURE: 3987200 -133.282 -175.461 -199.473 -175.46 311.314 70.395 -199.473 70.3957 -417.963 GPRESSURE: 3987200 -157.985 -226.568 -152.652 -128.326 342.165 40.5106 -185.8 75.4393 -344.581 PRESSAVG: 3987200 -13.7231 -8.92439 -54.5933 -8.92433 30.3353 4.66215 -54.5933 4.66212 -15.2228 GPRESSAVG: 3987200 -14.4178 -11.5463 -56.1063 -8.20823 30.8338 3.37925 -51.1156 5.18838 -14.7213 TIMING: 3987200 CPU: 12608.1, 0.00315999/step Wall: 12608.1, 0.00315999/step, 0.88901 hours remaining, 237.246094 MB of memory in use. ENERGY: 3987200 4008.3172 20240.2231 14428.8280 231.6423 -203081.1761 2199.7790 0.0000 0.0000 52006.0344 -109966.3521 298.8794 -161972.3865 -109598.4139 298.4973 -79.9769 -53.4669 760881.1871 0.4631 0.5649 PRESSURE: 3987400 87.408 1.22605 -122.894 1.22594 121.632 -75.8524 -122.894 -75.8532 -206.44 GPRESSURE: 3987400 21.8438 29.28 -64.6479 -57.5823 244.427 -141.817 -186.721 -88.2967 -196.396 PRESSAVG: 3987400 -17.4625 -43.0565 -46.245 -43.0564 -11.4508 17.1558 -46.245 17.1558 -16.2089 GPRESSAVG: 3987400 -17.1246 -42.3763 -44.8477 -42.455 -10.5316 18.2907 -50.2948 13.8658 -17.5654 TIMING: 3987400 CPU: 12608.7, 0.00317365/step Wall: 12608.7, 0.00317365/step, 0.892679 hours remaining, 237.246094 MB of memory in use. ENERGY: 3987400 4053.6385 20388.7098 14420.7121 235.3928 -203685.4167 2759.2850 0.0000 0.0000 51939.7589 -109887.9196 298.4985 -161827.6785 -109527.7596 297.7513 0.8668 23.2915 760680.1302 -15.0407 -15.0739 PRESSURE: 3987600 162.611 -104.091 -302.672 -104.091 211.429 -31.7255 -302.672 -31.7262 182.171 GPRESSURE: 3987600 223.026 -161.452 -354.018 -132.364 218.881 -95.5598 -250.174 -65.799 209.861 PRESSAVG: 3987600 -8.69286 -36.3925 -36.2543 -36.3924 1.97789 -32.7823 -36.2543 -32.7823 20.1287 GPRESSAVG: 3987600 -8.62815 -38.2907 -35.4435 -36.8814 1.58572 -32.3811 -36.0288 -33.8055 20.5396 TIMING: 3987600 CPU: 12609.3, 0.00317084/step Wall: 12609.3, 0.00317084/step, 0.891711 hours remaining, 237.246094 MB of memory in use. ENERGY: 3987600 3980.8902 20426.9295 14469.6325 249.1751 -203652.8085 2735.4174 0.0000 0.0000 51941.1975 -109849.5663 298.5068 -161790.7638 -109487.2563 298.2125 185.4035 217.2560 761223.0345 4.4713 4.4991 PRESSURE: 3987800 190.68 -266.916 27.973 -266.916 78.7987 -155.035 27.9724 -155.034 -271.707 GPRESSURE: 3987800 272.095 -249.3 23.7149 -198.368 166.519 -184.439 111.224 -223.88 -347.357 PRESSAVG: 3987800 41.4206 -83.0376 40.0315 -83.0376 -17.9798 1.46643 40.0316 1.46644 6.45857 GPRESSAVG: 3987800 41.3098 -81.4102 39.5295 -85.0893 -17.2233 0.228028 38.1544 5.715 6.17051 TIMING: 3987800 CPU: 12610, 0.00316056/step Wall: 12610, 0.00316056/step, 0.888644 hours remaining, 237.246094 MB of memory in use. ENERGY: 3987800 3928.9058 20712.4446 14428.6730 233.4774 -203614.3207 2570.2475 0.0000 0.0000 51835.0919 -109905.4805 297.8970 -161740.5724 -109543.5971 298.7113 -0.7428 30.4190 759817.2785 9.9664 10.0857 PRESSURE: 3988000 -96.2306 41.9989 102.474 41.9985 96.3011 -94.5118 102.474 -94.5121 -60.518 GPRESSURE: 3988000 -119.353 -31.5726 120.677 85.9317 212.717 -74.4973 47.9958 -0.178507 -82.4747 PRESSAVG: 3988000 1.36327 -66.3278 0.751268 -66.3278 32.4329 -52.5059 0.751294 -52.506 -2.85483 GPRESSAVG: 3988000 0.370875 -66.4369 -1.25046 -66.5468 32.5674 -53.0336 2.08438 -53.6451 -1.22308 TIMING: 3988000 CPU: 12610.6, 0.00316715/step Wall: 12610.6, 0.00316715/step, 0.890321 hours remaining, 237.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3988000 4005.7686 20613.1873 14400.5385 247.1354 -203520.0611 2655.5207 0.0000 0.0000 51902.9813 -109694.9291 298.2871 -161597.9104 -109328.1933 298.1682 -20.1492 3.6296 760581.8745 10.3138 10.5717 PRESSURE: 3988200 18.8286 28.9262 142.388 28.9257 -295.114 -76.4111 142.388 -76.4109 -293.044 GPRESSURE: 3988200 80.6686 130.481 157.302 -20.0074 -324.583 -100.194 18.1353 -92.9585 -263.832 PRESSAVG: 3988200 37.4484 -20.5828 -17.6404 -20.5828 8.29177 4.52716 -17.6404 4.52712 -16.35 GPRESSAVG: 3988200 38.0916 -18.5141 -17.3749 -20.7895 8.95253 7.54254 -18.3959 3.14635 -18.2338 TIMING: 3988200 CPU: 12611.2, 0.00316778/step Wall: 12611.2, 0.00316778/step, 0.890323 hours remaining, 237.246094 MB of memory in use. ENERGY: 3988200 4007.9362 20526.6270 14496.1638 272.4549 -203445.7361 2478.6346 0.0000 0.0000 51963.8637 -109700.0560 298.6370 -161663.9196 -109327.9515 298.5768 -189.7765 -169.2487 761081.3615 9.7967 9.6034 LDB: ============= START OF LOAD BALANCING ============== 12623.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12623.6 LDB: =============== DONE WITH MIGRATION ================ 12623.6 LDB: ============= START OF LOAD BALANCING ============== 12623.9 LDB: Largest compute 7068 load 0.033456 is 17.1% of average load 0.196088 LDB: Average compute 0.004396 is 2.2% of average load 0.196088 LDB: TIME 12623.9 LOAD: AVG 0.196088 MAX 0.219445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.301 MB LDB: TIME 12623.9 LOAD: AVG 0.196088 MAX 0.219445 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.301 MB LDB: TIME 12623.9 LOAD: AVG 0.196088 MAX 0.21719 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.301 MB LDB: ============== END OF LOAD BALANCING =============== 12624 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12624 PRESSURE: 3988400 112.857 -151.256 -112.679 -151.256 -256.667 210.855 -112.679 210.855 -24.7481 GPRESSURE: 3988400 131.739 -0.175838 -91.9251 -98.8719 -185.557 146.45 -11.5903 231.708 -48.7569 PRESSAVG: 3988400 63.2315 0.668931 60.6391 0.668898 -32.9646 48.9117 60.6391 48.9117 0.714805 GPRESSAVG: 3988400 62.4515 -0.638763 61.5085 1.6339 -33.8738 45.9205 61.8333 49.5009 2.17752 TIMING: 3988400 CPU: 12611.9, 0.00323768/step Wall: 12611.9, 0.00323768/step, 0.909789 hours remaining, 238.410156 MB of memory in use. ENERGY: 3988400 3959.3022 20636.2064 14412.8859 254.8872 -203290.3775 2675.0409 0.0000 0.0000 52015.4553 -109336.5996 298.9335 -161352.0549 -108971.3425 298.9391 -56.1859 -34.1916 763388.2528 10.3272 10.2517 PRESSURE: 3988600 -96.0986 168.255 32.4079 168.255 -20.0858 -80.2452 32.4071 -80.2465 -140.126 GPRESSURE: 3988600 -63.1795 140.947 90.1758 184.453 4.56567 -116.372 49.2528 -24.2193 -113.759 PRESSAVG: 3988600 93.1635 -11.1198 -9.46213 -11.1198 -70.2915 32.2447 -9.46208 32.2447 9.00435 GPRESSAVG: 3988600 93.7971 -11.3549 -8.97173 -11.1786 -70.5282 32.5522 -9.93241 33.2049 8.37293 TIMING: 3988600 CPU: 12612.5, 0.00315448/step Wall: 12612.5, 0.00315448/step, 0.886234 hours remaining, 238.613281 MB of memory in use. ENERGY: 3988600 3983.1904 20512.0285 14387.8095 245.2838 -203928.5494 3052.3459 0.0000 0.0000 52197.1990 -109550.6921 299.9780 -161747.8912 -109187.1777 299.1376 -85.4368 -57.4575 762875.8666 10.6255 10.5473 PRESSURE: 3988800 -90.1852 -102.609 93.5552 -102.608 -409.038 74.8385 93.5539 74.8362 -120.238 GPRESSURE: 3988800 -99.1846 -102.954 55.645 24.6767 -347.733 45.0772 75.9365 103.617 -73.7175 PRESSAVG: 3988800 1.31478 10.6118 41.3738 10.6119 6.95853 -27.8707 41.3738 -27.8706 -3.65234 GPRESSAVG: 3988800 1.65978 10.4628 39.8183 11.7116 6.02264 -28.3493 43.1834 -28.5419 -2.77203 TIMING: 3988800 CPU: 12613.1, 0.00317937/step Wall: 12613.1, 0.00317937/step, 0.893049 hours remaining, 238.613281 MB of memory in use. ENERGY: 3988800 3971.6993 20654.9374 14426.2971 252.9804 -203211.7856 2541.8453 0.0000 0.0000 51881.1177 -109482.9083 298.1615 -161364.0260 -109120.6201 299.3514 -206.4871 -173.5451 763168.5227 1.5403 1.6368 PRESSURE: 3989000 -51.0605 -66.9479 91.8983 -66.9484 215.036 48.524 91.8982 48.5231 115.785 GPRESSURE: 3989000 82.8484 -24.6541 44.8078 -41.0894 106.08 4.63758 6.97058 163.371 166.693 PRESSAVG: 3989000 -1.61389 1.6353 40.7509 1.63527 -12.4414 -5.81087 40.7509 -5.81086 -7.79383 GPRESSAVG: 3989000 -1.83069 1.83066 41.3811 0.999863 -11.8989 -5.69643 37.8711 -5.49713 -7.5243 TIMING: 3989000 CPU: 12613.8, 0.00316978/step Wall: 12613.8, 0.00316978/step, 0.890181 hours remaining, 238.613281 MB of memory in use. ENERGY: 3989000 4037.1462 20567.8794 14446.3042 246.0628 -203373.2090 2806.0699 0.0000 0.0000 52202.4747 -109067.2719 300.0083 -161269.7466 -108705.3180 299.6131 93.2533 118.5404 762067.0510 -7.2830 -7.0846 PRESSURE: 3989200 -150.376 -201.938 118.718 -201.939 181.197 195.383 118.718 195.384 188.813 GPRESSURE: 3989200 -116.872 -293.195 58.9533 -80.0313 241.341 182.48 8.42086 134.702 189.065 PRESSAVG: 3989200 24.2052 -45.045 17.3184 -45.045 6.43985 26.9535 17.3184 26.9535 1.56654 GPRESSAVG: 3989200 25.3002 -46.467 16.5098 -46.1706 6.27412 27.5665 17.5445 26.1412 0.583751 TIMING: 3989200 CPU: 12614.4, 0.00316638/step Wall: 12614.4, 0.00316638/step, 0.889049 hours remaining, 238.613281 MB of memory in use. ENERGY: 3989200 3962.1175 20549.8221 14489.9808 273.0412 -203667.8113 2646.8732 0.0000 0.0000 52401.5927 -109344.3838 301.1527 -161745.9765 -108987.2288 300.0897 73.2114 104.5112 760275.7485 10.7372 10.7194 PRESSURE: 3989400 -295.39 82.2728 4.62308 82.2722 -293.88 -108.932 4.62324 -108.932 313.531 GPRESSURE: 3989400 -221.125 43.5606 56.142 167.622 -314.788 -86.9233 -82.5065 -198.899 337.279 PRESSAVG: 3989400 3.04288 -25.4965 24.0184 -25.4966 35.1916 39.7137 24.0184 39.7135 -11.526 GPRESSAVG: 3989400 3.37915 -24.4871 25.7085 -24.6078 35.4983 38.531 24.7208 40.2895 -11.8135 TIMING: 3989400 CPU: 12615, 0.00317363/step Wall: 12615, 0.00317363/step, 0.890909 hours remaining, 238.613281 MB of memory in use. ENERGY: 3989400 4025.1974 20694.0418 14460.9810 249.9955 -203516.9399 2636.1995 0.0000 0.0000 52072.0569 -109378.4679 299.2588 -161450.5248 -109018.7317 299.9845 -91.9130 -66.2114 762037.1065 8.9028 9.0213 PRESSURE: 3989600 64.2668 -127.328 -284.5 -127.328 -19.0111 134.718 -284.499 134.718 275.761 GPRESSURE: 3989600 220.533 -60.3872 -248.05 -131.766 -39.9772 168.608 -329.761 224.201 225.095 PRESSAVG: 3989600 12.171 -36.6105 14.9765 -36.6105 21.9791 24.0707 14.9765 24.0707 39.635 GPRESSAVG: 3989600 10.6237 -36.2408 14.1599 -38.3984 21.8025 24.2242 14.1153 24.9703 40.9535 TIMING: 3989600 CPU: 12615.7, 0.0031773/step Wall: 12615.7, 0.0031773/step, 0.891761 hours remaining, 238.613281 MB of memory in use. ENERGY: 3989600 4090.8382 20449.9360 14489.9525 239.2696 -203700.4382 2757.0886 0.0000 0.0000 52269.0082 -109404.3450 300.3907 -161673.3532 -109044.3619 299.6053 107.0054 135.2169 761448.6596 24.5950 24.4599 PRESSURE: 3989800 -181.585 -65.6517 40.3618 -65.6521 238.231 -264.99 40.3617 -264.99 16.5133 GPRESSURE: 3989800 -22.1816 -42.7298 73.0333 -42.8031 143.388 -227.817 80.3512 -163.712 38.9363 PRESSAVG: 3989800 62.3636 -75.3121 14.5979 -75.3121 -23.2263 8.0983 14.5979 8.09832 -5.5926 GPRESSAVG: 3989800 61.769 -76.3123 14.3914 -74.8236 -23.6636 9.69345 16.5533 8.25755 -5.40791 TIMING: 3989800 CPU: 12616.3, 0.00319897/step Wall: 12616.3, 0.00319897/step, 0.897666 hours remaining, 238.613281 MB of memory in use. ENERGY: 3989800 3959.7328 20480.9008 14534.6730 260.0141 -203666.6030 2756.7543 0.0000 0.0000 52304.8458 -109369.6822 300.5967 -161674.5280 -109000.2794 299.2029 24.3865 53.3810 761591.8042 11.1816 10.8992 PRESSURE: 3990000 -145.146 0.854488 112.764 0.85448 -418.171 -45.3571 112.765 -45.356 -161.874 GPRESSURE: 3990000 -189.241 -41.445 105.613 1.3534 -323.948 -90.9657 -28.3451 7.28262 -129.014 PRESSAVG: 3990000 32.5697 -17.9641 34.1373 -17.9641 4.61802 -6.36687 34.1373 -6.36687 -4.68686 GPRESSAVG: 3990000 33.3112 -15.8319 34.1029 -19.1179 5.4574 -8.0126 32.2694 -7.08696 -5.9235 TIMING: 3990000 CPU: 12617, 0.00317575/step Wall: 12617, 0.00317575/step, 0.890976 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3990000 4048.4879 20485.4417 14433.0314 274.3491 -202877.1462 2285.2566 0.0000 0.0000 52039.0774 -109311.5021 299.0693 -161350.5795 -108954.1582 298.9134 -241.7302 -214.0679 763120.5571 10.8336 10.9484 PRESSURE: 3990200 95.7705 44.9946 150.626 44.9945 48.8841 93.822 150.625 93.822 94.9702 GPRESSURE: 3990200 61.3373 16.2668 131.392 73.1107 124.054 157.331 126.776 256.26 130.552 PRESSAVG: 3990200 24.9497 -31.9223 47.2045 -31.9223 -20.1393 -16.5385 47.2045 -16.5385 -11.1956 GPRESSAVG: 3990200 23.3122 -34.6392 49.5195 -29.0306 -20.1062 -16.1695 47.0425 -16.3399 -9.76542 TIMING: 3990200 CPU: 12617.6, 0.00316175/step Wall: 12617.6, 0.00316175/step, 0.88687 hours remaining, 238.613281 MB of memory in use. ENERGY: 3990200 3956.1977 20582.3125 14523.4061 251.5015 -203622.8257 2756.5428 0.0000 0.0000 52128.8549 -109424.0102 299.5852 -161552.8651 -109062.2606 298.9184 79.8749 105.3142 763090.0602 -2.1284 -2.1865 PRESSURE: 3990400 252.041 -212.28 -0.560843 -212.28 6.3576 143.37 -0.560481 143.369 89.5725 GPRESSURE: 3990400 295.385 -210.377 -4.70832 -41.5684 23.9695 38.7464 -48.5622 125.156 95.7586 PRESSAVG: 3990400 -16.313 -66.006 -51.6653 -66.0061 82.7916 -27.5556 -51.6653 -27.5556 28.0293 GPRESSAVG: 3990400 -15.366 -63.4635 -52.9263 -68.2466 82.8603 -27.6079 -52.3178 -29.8155 26.965 TIMING: 3990400 CPU: 12618.2, 0.00317558/step Wall: 12618.2, 0.00317558/step, 0.890574 hours remaining, 238.613281 MB of memory in use. ENERGY: 3990400 4071.7607 20486.9380 14494.0343 272.3012 -203524.6809 2717.4882 0.0000 0.0000 51938.9397 -109543.2189 298.4938 -161482.1585 -109191.3666 299.4546 115.9904 138.3710 762243.1932 31.5027 31.4864 PRESSURE: 3990600 -234.128 -9.04846 -18.8032 -9.04886 -225.703 -63.0394 -18.8033 -63.039 -404.582 GPRESSURE: 3990600 -238.806 -77.8995 -36.4086 174.713 -192.189 -65.2388 -8.7365 -90.5932 -346.624 PRESSAVG: 3990600 17.64 -48.4644 14.2637 -48.4644 11.7551 15.1738 14.2637 15.1737 -13.0778 GPRESSAVG: 3990600 18.0975 -50.2424 14.0812 -46.6398 10.6143 14.6029 15.2106 16.3462 -11.9102 TIMING: 3990600 CPU: 12618.9, 0.0031514/step Wall: 12618.9, 0.0031514/step, 0.883619 hours remaining, 238.613281 MB of memory in use. ENERGY: 3990600 3969.9422 20460.7735 14504.8572 243.9690 -203474.7999 2659.9013 0.0000 0.0000 52015.0002 -109620.3565 298.9309 -161635.3567 -109252.6571 298.9053 -288.1374 -259.2064 763915.7516 5.4391 5.6005 PRESSURE: 3990800 -263.619 -59.308 53.4274 -59.3083 -112.497 105.196 53.4272 105.196 30.688 GPRESSURE: 3990800 -224.655 -105.501 40.3188 -44.162 -95.6003 92.6973 92.3066 66.6299 74.0061 PRESSAVG: 3990800 33.1372 -58.2472 -26.9288 -58.2472 -2.51334 28.185 -26.9288 28.1851 0.392934 GPRESSAVG: 3990800 32.5425 -58.5459 -26.1563 -59.5402 -2.24802 27.7606 -27.0539 29.0674 0.56182 TIMING: 3990800 CPU: 12619.5, 0.00314959/step Wall: 12619.5, 0.00314959/step, 0.882934 hours remaining, 238.613281 MB of memory in use. ENERGY: 3990800 3961.1862 20550.7395 14383.8823 258.9570 -204079.5194 3053.8877 0.0000 0.0000 52316.0469 -109554.8198 300.6610 -161870.8667 -109181.9337 299.6961 -115.1426 -82.0831 761559.0343 10.3389 10.2854 PRESSURE: 3991000 -141.805 -50.0541 -121.297 -50.0537 111.174 -258.945 -121.298 -258.945 -272.903 GPRESSURE: 3991000 -102.331 -44.0542 -153.021 -48.7142 124.7 -178.39 -151.801 -254.278 -249.729 PRESSAVG: 3991000 -11.2325 -29.654 44.8344 -29.654 38.219 14.3864 44.8344 14.3864 13.7928 GPRESSAVG: 3991000 -9.60038 -30.5074 44.5785 -26.7882 36.4712 15.9282 45.0375 14.0359 13.9371 TIMING: 3991000 CPU: 12620.1, 0.00315499/step Wall: 12620.1, 0.00315499/step, 0.884273 hours remaining, 238.613281 MB of memory in use. ENERGY: 3991000 4082.2979 20591.7315 14437.6599 246.4289 -203413.1382 2713.4265 0.0000 0.0000 51991.3681 -109350.2254 298.7951 -161341.5935 -108994.5297 299.3125 -101.1781 -75.7868 760245.6420 13.5931 13.6026 PRESSURE: 3991200 -261.761 -11.9231 -49.8811 -11.9234 -468.132 85.3376 -49.8809 85.3373 -280.991 GPRESSURE: 3991200 -371.001 -38.1092 -118.403 68.7711 -357.006 72.5184 -110.301 100.61 -210 PRESSAVG: 3991200 -8.40643 -46.9902 15.0881 -46.9901 -10.2984 22.0487 15.0881 22.0487 4.71709 GPRESSAVG: 3991200 -10.6916 -45.7152 15.1657 -47.9698 -8.21537 21.668 13.8131 21.3348 4.16879 TIMING: 3991200 CPU: 12620.7, 0.00313905/step Wall: 12620.7, 0.00313905/step, 0.879632 hours remaining, 238.613281 MB of memory in use. ENERGY: 3991200 4056.6643 20652.9388 14469.7248 246.4468 -203307.9494 2323.6124 0.0000 0.0000 52122.5759 -109435.9864 299.5492 -161558.5623 -109071.9032 299.8398 -336.9614 -312.6689 761218.3278 -4.6626 -4.9127 PRESSURE: 3991400 -176.864 -62.6421 4.66752 -62.6423 -137.112 -124.791 4.66807 -124.792 -446.895 GPRESSURE: 3991400 -182.042 9.57193 67.7803 -40.3213 -24.4335 -189.071 -30.6627 -43.5107 -477.705 PRESSAVG: 3991400 25.5086 -76.84 -8.69744 -76.84 -13.2671 -1.91047 -8.69735 -1.91047 12.3293 GPRESSAVG: 3991400 25.9239 -77.8495 -10.2863 -79.2215 -12.9793 -1.39295 -7.59803 -1.14763 11.7792 TIMING: 3991400 CPU: 12621.4, 0.00313821/step Wall: 12621.4, 0.00313821/step, 0.879221 hours remaining, 238.613281 MB of memory in use. ENERGY: 3991400 4092.1661 20588.7137 14386.9432 249.9025 -203280.9889 2461.7823 0.0000 0.0000 52121.0076 -109380.4734 299.5401 -161501.4811 -109027.6341 299.9004 -253.6237 -228.0601 761612.7848 8.1903 8.2413 PRESSURE: 3991600 230.137 -25.4571 -178.958 -25.4566 6.10253 -281.771 -178.958 -281.772 298.565 GPRESSURE: 3991600 222.952 -54.5853 -197.404 63.4408 75.6041 -309.089 -185.049 -119.001 326.159 PRESSAVG: 3991600 -20.4801 -9.48575 17.6527 -9.48571 19.8049 -19.2366 17.6527 -19.2366 -12.2107 GPRESSAVG: 3991600 -20.1499 -8.53331 17.5116 -9.49593 19.0085 -19.4018 17.8165 -19.5751 -12.1708 TIMING: 3991600 CPU: 12622, 0.00313225/step Wall: 12622, 0.00313225/step, 0.877379 hours remaining, 238.613281 MB of memory in use. ENERGY: 3991600 3939.1917 20519.5252 14512.5658 253.9447 -203141.9809 2403.8251 0.0000 0.0000 52068.3597 -109444.5686 299.2376 -161512.9283 -109093.9201 299.7438 178.2684 208.2385 761457.6038 -4.2953 -4.4374 PRESSURE: 3991800 57.5928 119.781 8.07433 119.781 -301.406 238.227 8.07462 238.226 231.973 GPRESSURE: 3991800 29.2456 193.775 -3.46265 61.8988 -221.128 188.346 165.515 205.414 268.345 PRESSAVG: 3991800 -24.5552 1.50804 21.4561 1.50806 -17.5173 -28.0163 21.456 -28.0163 12.166 GPRESSAVG: 3991800 -24.0266 0.0607271 22.4264 3.29884 -17.892 -26.9609 23.3455 -26.7509 11.9451 TIMING: 3991800 CPU: 12622.6, 0.0031365/step Wall: 12622.6, 0.00313651/step, 0.878396 hours remaining, 238.613281 MB of memory in use. ENERGY: 3991800 4023.9603 20442.9657 14437.4572 239.9619 -203516.3324 2607.9089 0.0000 0.0000 52129.6100 -109634.4684 299.5896 -161764.0784 -109258.7223 299.3596 -3.9468 25.4876 760798.5951 -9.9688 -9.9912 PRESSURE: 3992000 -476.248 54.6855 -30.841 54.6849 -402.852 4.77361 -30.8412 4.77493 -126.735 GPRESSURE: 3992000 -352.523 27.428 8.02404 36.1152 -415.423 88.3265 -69.9275 -23.4543 -158.116 PRESSAVG: 3992000 30.6326 -23.5987 22.8877 -23.5986 -32.1843 -34.0473 22.8877 -34.0473 0.496874 GPRESSAVG: 3992000 31.617 -24.4233 23.7839 -24.5138 -34.1746 -33.6977 20.4833 -33.3916 1.24309 TIMING: 3992000 CPU: 12623.2, 0.00312389/step Wall: 12623.2, 0.00312389/step, 0.87469 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3992000 4036.9446 20412.8575 14483.0389 241.8701 -202825.0844 2382.7812 0.0000 0.0000 51782.3731 -109485.2191 297.5940 -161267.5921 -109130.4612 299.3470 -335.2782 -308.6874 763675.1262 -0.3516 -0.4382 PRESSURE: 3992200 21.5893 -174.467 -176.356 -174.467 61.4538 50.9437 -176.356 50.9436 -210.58 GPRESSURE: 3992200 32.9783 -213.755 -217.229 -75.1018 101.524 98.2768 -125.763 -22.955 -183.47 PRESSAVG: 3992200 -13.5158 -67.0716 26.7353 -67.0715 15.7753 21.9197 26.7354 21.9196 9.35224 GPRESSAVG: 3992200 -14.36 -66.0143 25.5289 -65.0256 17.8124 19.9667 26.9368 19.8087 8.23791 TIMING: 3992200 CPU: 12623.9, 0.0031467/step Wall: 12623.9, 0.0031467/step, 0.8809 hours remaining, 238.613281 MB of memory in use. ENERGY: 3992200 3990.6125 20653.3659 14506.7372 228.4184 -203732.6961 2853.1573 0.0000 0.0000 52015.3687 -109485.0360 298.9330 -161500.4047 -109134.9460 299.0436 -42.5122 -16.3225 762535.8983 3.8706 3.8968 LDB: ============= START OF LOAD BALANCING ============== 12636.3 LDB: ============== END OF LOAD BALANCING =============== 12636.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12636.3 LDB: ============= START OF LOAD BALANCING ============== 12636.6 LDB: Largest compute 7031 load 0.033466 is 17.1% of average load 0.196133 LDB: Average compute 0.004393 is 2.2% of average load 0.196133 LDB: TIME 12636.6 LOAD: AVG 0.196133 MAX 0.217749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 12636.6 LOAD: AVG 0.196133 MAX 0.217749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: TIME 12636.6 LOAD: AVG 0.196133 MAX 0.217749 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: ============== END OF LOAD BALANCING =============== 12636.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12636.6 PRESSURE: 3992400 -226.02 230.859 -2.9854 230.86 -547.948 84.8504 -2.98619 84.8505 -329.418 GPRESSURE: 3992400 -188.214 114.064 76.4017 242.34 -520.255 16.1965 130.962 84.3828 -302.967 PRESSAVG: 3992400 -41.4828 -1.42243 23.9912 -1.42245 8.68971 34.164 23.9912 34.164 -8.06126 GPRESSAVG: 3992400 -42.2333 -0.846522 24.906 -1.79406 8.81585 33.3638 23.6746 35.904 -7.21725 TIMING: 3992400 CPU: 12624.5, 0.00322474/step Wall: 12624.5, 0.00322474/step, 0.902568 hours remaining, 238.007812 MB of memory in use. ENERGY: 3992400 4011.1077 20314.2051 14489.0835 246.2857 -203405.1283 2639.6823 0.0000 0.0000 52135.4680 -109569.2960 299.6233 -161704.7640 -109201.4205 298.9240 -367.7952 -337.1452 761012.4039 -13.6181 -13.5449 PRESSURE: 3992600 -360.214 -289.071 107.104 -289.071 -479.796 -71.1256 107.104 -71.1248 -95.2222 GPRESSURE: 3992600 -311.117 -231.142 4.41709 -178.517 -411.198 -130.027 89.3863 -45.0439 -111.279 PRESSAVG: 3992600 -28.9165 23.0471 15.3171 23.0471 5.95077 -29.0158 15.3171 -29.0158 -12.2128 GPRESSAVG: 3992600 -27.8595 23.8335 14.3711 23.0372 5.87346 -27.285 17.0977 -30.0698 -12.662 TIMING: 3992600 CPU: 12625.2, 0.00316373/step Wall: 12625.2, 0.00316373/step, 0.885317 hours remaining, 238.210938 MB of memory in use. ENERGY: 3992600 4064.6397 20372.7637 14436.6260 246.8702 -203256.1231 2377.5372 0.0000 0.0000 52055.9116 -109701.7746 299.1660 -161757.6862 -109333.6431 298.6656 -311.7439 -277.8648 760203.6359 -11.7262 -11.5494 PRESSURE: 3992800 3.23174 -100.125 44.7018 -100.125 -304.902 -15.9924 44.7019 -15.9928 30.5823 GPRESSURE: 3992800 -22.4008 -85.7376 75.3786 -72.5727 -205.083 71.854 36.3814 -46.1992 14.6652 PRESSAVG: 3992800 9.54349 -46.2322 16.1749 -46.2322 21.6835 -1.78662 16.1749 -1.7867 -6.00088 GPRESSAVG: 3992800 8.71187 -44.1847 16.6397 -48.363 22.5033 -2.51524 13.6545 -2.90473 -6.25091 TIMING: 3992800 CPU: 12625.8, 0.00316053/step Wall: 12625.8, 0.00316053/step, 0.884245 hours remaining, 238.210938 MB of memory in use. ENERGY: 3992800 3925.5767 20393.7342 14345.9846 262.3055 -203177.0566 2486.9480 0.0000 0.0000 52252.6636 -109509.8440 300.2968 -161762.5076 -109143.8353 299.1011 -90.3627 -70.9396 763167.8363 8.4087 8.3214 PRESSURE: 3993000 -55.8738 -67.3862 -64.4869 -67.3852 -56.7889 64.932 -64.4868 64.9328 213.524 GPRESSURE: 3993000 -37.4218 -90.1675 -8.22025 -26.8242 -7.23009 87.9693 -109.932 -41.5291 239.93 PRESSAVG: 3993000 66.5925 -51.0747 -36.3317 -51.0748 -27.1196 -4.19948 -36.3317 -4.19941 9.03565 GPRESSAVG: 3993000 66.621 -53.1609 -36.7163 -50.4324 -27.5411 -3.75604 -33.1881 -2.68638 8.92318 TIMING: 3993000 CPU: 12626.4, 0.00314323/step Wall: 12626.4, 0.00314323/step, 0.87923 hours remaining, 238.210938 MB of memory in use. ENERGY: 3993000 4057.1284 20614.5658 14422.8762 246.9315 -203576.5901 2828.3636 0.0000 0.0000 52045.4892 -109361.2353 299.1061 -161406.7246 -109009.7736 299.2457 33.6206 65.0926 760318.9445 16.1695 16.0010 PRESSURE: 3993200 -55.0001 20.4633 -11.6942 20.4646 140.005 -36.0668 -11.6947 -36.0669 275.375 GPRESSURE: 3993200 36.3278 66.2174 27.3273 -4.67197 126.363 -72.864 -123.267 -6.72652 316.403 PRESSAVG: 3993200 21.6012 -48.9646 -72.6585 -48.9646 -13.2209 37.3668 -72.6584 37.3668 12.8916 GPRESSAVG: 3993200 21.6542 -50.6544 -70.6949 -49.6887 -13.684 34.63 -75.3457 39.647 13.8795 TIMING: 3993200 CPU: 12627, 0.0031481/step Wall: 12627, 0.0031481/step, 0.880419 hours remaining, 238.210938 MB of memory in use. ENERGY: 3993200 4018.9153 20535.8806 14538.4924 258.3500 -203202.0006 2679.2041 0.0000 0.0000 51836.6496 -109334.5085 297.9059 -161171.1581 -108978.0527 299.1207 120.1265 159.6978 760402.2826 7.0906 7.2832 PRESSURE: 3993400 6.29115 140.201 35.0059 140.202 40.2328 250.608 35.0062 250.609 132.988 GPRESSURE: 3993400 64.2617 160.541 -4.72725 136.55 13.1163 240.665 -82.9484 148.06 178.817 PRESSAVG: 3993400 -39.2508 -42.6124 25.7523 -42.6124 21.2159 -54.6838 25.7524 -54.6839 16.4889 GPRESSAVG: 3993400 -38.4002 -39.178 23.9161 -41.9614 21.0076 -54.5085 26.3259 -55.8276 16.1206 TIMING: 3993400 CPU: 12627.7, 0.00313294/step Wall: 12627.7, 0.00313294/step, 0.876005 hours remaining, 238.210938 MB of memory in use. ENERGY: 3993400 3945.1112 20435.4676 14514.0189 233.3584 -202779.1998 2401.9520 0.0000 0.0000 52040.3048 -109208.9869 299.0763 -161249.2917 -108844.7896 299.7906 59.8372 85.3983 761957.5437 -0.5153 -0.4240 PRESSURE: 3993600 213.793 -236.98 49.1391 -236.98 -378.652 -47.8859 49.1394 -47.8865 -22.43 GPRESSURE: 3993600 210.729 -223.641 40.8643 -123.147 -289.845 -106.512 135.185 -8.65229 -20.5747 PRESSAVG: 3993600 11.3438 31.6009 -37.263 31.6009 8.61994 18.1268 -37.2631 18.1267 10.8302 GPRESSAVG: 3993600 10.5411 30.7809 -37.3922 33.385 9.36082 19.4662 -38.4757 16.9787 10.6946 TIMING: 3993600 CPU: 12628.3, 0.00315245/step Wall: 12628.3, 0.00315245/step, 0.881285 hours remaining, 238.210938 MB of memory in use. ENERGY: 3993600 4012.1977 20361.4757 14501.6458 236.4360 -202722.6572 2221.3464 0.0000 0.0000 52096.3912 -109293.1645 299.3987 -161389.5557 -108934.4031 299.1419 -62.4294 -33.2302 762166.5443 10.2646 10.1988 PRESSURE: 3993800 -142.36 -2.3672 -225.236 -2.36666 -111.315 -142.007 -225.236 -142.008 29.6251 GPRESSURE: 3993800 -108.733 -12.6416 -160.128 -64.0082 -90.696 -112.999 -193.353 -110.204 56.6214 PRESSAVG: 3993800 27.1282 -6.54332 -44.986 -6.54334 -7.84603 -17.0986 -44.9859 -17.0986 17.1222 GPRESSAVG: 3993800 26.9026 -5.52407 -42.3283 -9.30153 -7.80603 -15.5991 -45.7966 -17.6468 16.6974 TIMING: 3993800 CPU: 12628.9, 0.00313535/step Wall: 12628.9, 0.00313535/step, 0.876331 hours remaining, 238.210938 MB of memory in use. ENERGY: 3993800 3995.1831 20493.8677 14408.7909 237.3877 -203699.7423 2905.7481 0.0000 0.0000 52177.9097 -109480.8551 299.8672 -161658.7648 -109120.6923 299.3642 -74.6834 -47.6025 761521.1385 12.1348 11.9313 PRESSURE: 3994000 -200.383 -46.2339 247.157 -46.2341 -209.506 -206.902 247.156 -206.902 -398.713 GPRESSURE: 3994000 -73.8954 -35.0764 248.738 -107.531 -189.876 -264.441 267.219 -214.564 -460.52 PRESSAVG: 3994000 10.438 -25.4452 -24.2434 -25.4451 14.3409 -6.94926 -24.2434 -6.94923 2.93854 GPRESSAVG: 3994000 10.4438 -24.636 -26.1275 -25.191 14.36 -7.27799 -23.0233 -6.64191 2.89153 TIMING: 3994000 CPU: 12629.6, 0.00314757/step Wall: 12629.6, 0.00314757/step, 0.879571 hours remaining, 238.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3994000 4136.2703 20354.8097 14432.7526 251.5979 -202993.5802 2393.9723 0.0000 0.0000 51897.8403 -109526.3371 298.2576 -161424.1774 -109179.1090 299.2826 -269.5343 -241.4304 761704.2416 9.2392 9.2318 PRESSURE: 3994200 -60.8751 37.025 189.954 37.0245 -172.734 -108.434 189.954 -108.434 -64.7119 GPRESSURE: 3994200 36.2882 62.8856 174.169 -16.6126 -190.539 -117.79 30.0128 -181.593 -77.0764 PRESSAVG: 3994200 -29.195 -31.9316 28.1184 -31.9316 12.0893 3.6279 28.1184 3.62788 20.1876 GPRESSAVG: 3994200 -28.9999 -35.407 28.6445 -30.5731 11.2914 3.81259 28.9202 3.3482 20.7977 TIMING: 3994200 CPU: 12630.2, 0.00313912/step Wall: 12630.2, 0.00313912/step, 0.877035 hours remaining, 238.210938 MB of memory in use. ENERGY: 3994200 4038.0888 20538.3302 14408.5566 218.4974 -203563.7111 2832.4429 0.0000 0.0000 51880.3227 -109647.4726 298.1569 -161527.7952 -109294.0349 298.6401 -99.4402 -77.1091 763214.4061 1.0273 1.0297 PRESSURE: 3994400 40.7818 181.268 42.586 181.268 -14.8966 54.6087 42.5864 54.6098 167.68 GPRESSURE: 3994400 -52.9431 201.468 15.0515 -8.94498 130.23 127.456 67.4633 -61.4834 179.351 PRESSAVG: 3994400 -8.3329 -37.9323 -16.4176 -37.9322 13.2084 0.685935 -16.4176 0.685895 8.76429 GPRESSAVG: 3994400 -9.45554 -36.6914 -17.172 -40.0076 13.2363 -1.50131 -16.1711 3.25014 9.6347 TIMING: 3994400 CPU: 12630.8, 0.00314317/step Wall: 12630.8, 0.00314317/step, 0.877991 hours remaining, 238.210938 MB of memory in use. ENERGY: 3994400 4028.9491 20576.1616 14434.2992 239.9327 -203420.8914 2643.6017 0.0000 0.0000 52247.2683 -109250.6788 300.2658 -161497.9471 -108892.4323 298.9806 64.5218 85.5460 759906.5286 4.5466 4.4718 PRESSURE: 3994600 -88.8107 -71.6969 -116.16 -71.6974 2.36972 6.55165 -116.159 6.55201 65.2309 GPRESSURE: 3994600 -14.0655 -101.015 -52.6945 -58.9253 -11.8558 -23.5486 -14.5612 -1.0372 113.745 PRESSAVG: 3994600 50.1738 -24.5384 -16.3448 -24.5383 21.6041 -10.5673 -16.3448 -10.5674 1.21911 GPRESSAVG: 3994600 50.3967 -24.1685 -14.6716 -24.6571 22.5171 -10.7169 -16.5964 -12.8129 0.376845 TIMING: 3994600 CPU: 12631.4, 0.00313089/step Wall: 12631.4, 0.00313089/step, 0.874387 hours remaining, 238.210938 MB of memory in use. ENERGY: 3994600 4025.8463 20332.7092 14502.6676 232.3315 -202984.0780 2367.3678 0.0000 0.0000 52228.8514 -109294.3042 300.1599 -161523.1557 -108927.4069 300.0317 -7.0700 29.2747 761331.5346 24.3323 24.4302 PRESSURE: 3994800 -198.03 -297.869 7.23405 -297.868 -367.39 4.95584 7.23356 4.95519 -370.313 GPRESSURE: 3994800 -116.123 -175.746 -5.17607 -263.87 -390.097 27.4147 0.134251 -215.945 -347.129 PRESSAVG: 3994800 -21.7244 -36.5473 64.6826 -36.5473 1.51615 -9.77923 64.6826 -9.77916 -14.3532 GPRESSAVG: 3994800 -20.5456 -36.62 63.4335 -33.2326 0.782182 -8.78746 65.6674 -10.3549 -15.3084 TIMING: 3994800 CPU: 12632.1, 0.00314443/step Wall: 12632.1, 0.00314443/step, 0.877994 hours remaining, 238.210938 MB of memory in use. ENERGY: 3994800 3903.4504 20316.1538 14450.3056 231.1012 -203181.5817 2347.5101 0.0000 0.0000 52320.4032 -109612.6574 300.6861 -161933.0606 -109245.3040 299.3569 -311.9112 -284.4497 762551.3582 -11.5205 -11.6906 PRESSURE: 3995000 -10.7443 142.332 3.10633 142.331 -173.83 277.836 3.10621 277.836 106.739 GPRESSURE: 3995000 51.159 134.611 24.6546 66.1202 -118.333 364.628 31.4606 233.876 79.8773 PRESSAVG: 3995000 8.91713 -37.7963 7.07358 -37.7962 -4.16246 -43.8372 7.07353 -43.8372 -13.285 GPRESSAVG: 3995000 8.89081 -38.821 7.15397 -37.7849 -4.04398 -43.9074 4.70412 -40.7819 -13.2006 TIMING: 3995000 CPU: 12632.7, 0.00317235/step Wall: 12632.7, 0.00317235/step, 0.885614 hours remaining, 238.210938 MB of memory in use. ENERGY: 3995000 3874.6666 20302.4729 14471.3829 230.6013 -203381.5692 2762.7115 0.0000 0.0000 52012.5821 -109727.1519 298.9170 -161739.7340 -109366.1672 298.8208 -25.9449 4.2346 762536.3227 -2.8435 -2.7846 PRESSURE: 3995200 -300.906 23.2417 139.5 23.2418 220.586 88.9641 139.5 88.9639 -281.929 GPRESSURE: 3995200 -218.332 89.0786 71.2308 66.4135 244.389 109.292 137.671 122.941 -280.053 PRESSAVG: 3995200 -11.2579 6.30324 29.6317 6.30325 32.4678 3.58092 29.6317 3.58099 11.4677 GPRESSAVG: 3995200 -11.1817 7.46911 27.8499 5.37724 31.7769 3.81253 33.7171 2.60912 12.1146 TIMING: 3995200 CPU: 12633.3, 0.00315792/step Wall: 12633.3, 0.00315792/step, 0.88141 hours remaining, 238.210938 MB of memory in use. ENERGY: 3995200 3994.8576 20485.6844 14487.9619 255.7926 -203201.1955 2309.0577 0.0000 0.0000 51974.1076 -109693.7337 298.6959 -161667.8413 -109346.6927 298.6094 -120.7499 -84.6654 761562.3194 10.8925 10.9033 PRESSURE: 3995400 232.681 -145.561 -105.812 -145.562 -15.5247 95.3607 -105.811 95.3606 335.937 GPRESSURE: 3995400 192.347 -91.5344 -186.041 -88.7103 108.939 173.523 -128.179 -46.4825 338.724 PRESSAVG: 3995400 28.5415 -16.6962 -19.7933 -16.6962 21.2242 33.8659 -19.7933 33.8659 10.6882 GPRESSAVG: 3995400 26.2698 -15.295 -19.2917 -16.8324 23.1465 33.7018 -21.1787 33.5159 10.6329 TIMING: 3995400 CPU: 12634, 0.003178/step Wall: 12634, 0.003178/step, 0.886837 hours remaining, 238.210938 MB of memory in use. ENERGY: 3995400 3947.8960 20430.9355 14456.0260 228.5088 -203271.6316 2618.3456 0.0000 0.0000 51866.7726 -109723.1472 298.0791 -161589.9197 -109368.5296 298.3456 184.3644 213.3368 761305.1934 20.1513 20.0164 PRESSURE: 3995600 95.7825 -54.7867 36.0688 -54.7868 240.223 105.514 36.0683 105.514 488.443 GPRESSURE: 3995600 219.877 -74.987 49.9182 7.43093 240.53 19.8101 19.7681 -14.7843 460.622 PRESSAVG: 3995600 18.5136 2.8318 39.7634 2.83186 -32.3505 -18.5529 39.7635 -18.5529 22.9809 GPRESSAVG: 3995600 19.7 0.38419 39.3443 4.71466 -34.1432 -17.9357 38.842 -18.9067 23.261 TIMING: 3995600 CPU: 12634.6, 0.00317184/step Wall: 12634.6, 0.00317184/step, 0.884942 hours remaining, 238.210938 MB of memory in use. ENERGY: 3995600 3937.9709 20435.5590 14460.0554 261.1459 -203397.6345 2849.1215 0.0000 0.0000 51790.5695 -109663.2122 297.6411 -161453.7817 -109297.2192 298.4996 274.8162 307.0096 761938.0994 3.0480 2.9393 PRESSURE: 3995800 -446.367 -119.993 137.927 -119.994 -242.733 112.687 137.926 112.687 -114.788 GPRESSURE: 3995800 -351.369 -76.2558 78.4766 -58.4828 -163.202 98.0945 196.77 191.188 -192.244 PRESSAVG: 3995800 3.62734 -44.0083 -29.5007 -44.0083 -12.009 -29.9464 -29.5007 -29.9464 18.7155 GPRESSAVG: 3995800 3.38599 -44.3208 -28.4686 -45.0992 -11.7995 -30.9892 -29.0397 -29.6534 18.4325 TIMING: 3995800 CPU: 12635.2, 0.00316784/step Wall: 12635.2, 0.00316784/step, 0.88365 hours remaining, 238.210938 MB of memory in use. ENERGY: 3995800 4013.6611 20473.9780 14428.4624 248.5440 -203109.9414 2398.2690 0.0000 0.0000 51943.6484 -109603.3785 298.5209 -161547.0270 -109243.4161 298.2946 -267.9627 -235.6050 762143.8131 3.4446 3.3397 PRESSURE: 3996000 63.2477 -54.0068 50.6654 -54.0064 66.9668 -18.9216 50.6651 -18.922 148.545 GPRESSURE: 3996000 43.0402 49.3023 63.8908 -10.2013 162.014 -108.119 156.419 19.6532 131.408 PRESSAVG: 3996000 -4.51879 -45.8094 17.526 -45.8094 17.2234 -65.4051 17.526 -65.4051 1.43131 GPRESSAVG: 3996000 -5.14211 -44.1967 15.8988 -45.5076 17.2726 -65.7101 18.4939 -64.1678 1.20954 TIMING: 3996000 CPU: 12635.9, 0.00314655/step Wall: 12635.9, 0.00314655/step, 0.877538 hours remaining, 238.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3996000 3949.3919 20395.9298 14450.6182 246.2479 -203562.9603 2777.5552 0.0000 0.0000 52222.1225 -109521.0948 300.1213 -161743.2173 -109163.2020 299.1817 92.9199 112.1543 760239.4542 4.7120 4.4467 PRESSURE: 3996200 117.602 -353.525 64.9992 -353.526 -303.917 9.03905 64.9999 9.03876 131.045 GPRESSURE: 3996200 177.316 -181.546 35.4195 -252.207 -277.31 50.7487 60.6709 7.51405 112.892 PRESSAVG: 3996200 41.6526 23.273 11.9235 23.273 -66.031 -15.2378 11.9235 -15.2378 -12.0032 GPRESSAVG: 3996200 41.5492 23.4364 14.0053 23.6379 -65.2055 -13.7704 12.2454 -16.2335 -12.481 TIMING: 3996200 CPU: 12636.5, 0.00314016/step Wall: 12636.5, 0.00314015/step, 0.87558 hours remaining, 238.210938 MB of memory in use. ENERGY: 3996200 4016.0887 20463.7149 14426.9179 253.8071 -203292.9506 2672.6552 0.0000 0.0000 51955.6080 -109504.1589 298.5896 -161459.7669 -109136.0253 298.9702 -18.4234 4.2991 760863.5655 -12.1272 -12.0458 LDB: ============= START OF LOAD BALANCING ============== 12648.9 LDB: ============== END OF LOAD BALANCING =============== 12648.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12648.9 LDB: ============= START OF LOAD BALANCING ============== 12649.2 LDB: Largest compute 7032 load 0.032662 is 16.7% of average load 0.196001 LDB: Average compute 0.004390 is 2.2% of average load 0.196001 LDB: TIME 12649.2 LOAD: AVG 0.196001 MAX 0.21518 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 12649.2 LOAD: AVG 0.196001 MAX 0.21518 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.285 MB LDB: TIME 12649.2 LOAD: AVG 0.196001 MAX 0.21518 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.285 MB LDB: ============== END OF LOAD BALANCING =============== 12649.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12649.2 PRESSURE: 3996400 -82.9347 -60.8676 -50.5647 -60.8669 -156.865 -141.798 -50.5652 -141.798 -86.2049 GPRESSURE: 3996400 87.8288 -97.2505 -37.4203 -89.2022 -178.494 -130.955 -32.2488 -11.4716 -133.75 PRESSAVG: 3996400 59.3629 1.70101 -26.3149 1.70099 -43.1164 12.9831 -26.3149 12.9831 -18.814 GPRESSAVG: 3996400 59.9732 3.0367 -26.764 0.160491 -44.3209 11.6957 -27.3617 15.4657 -18.0004 TIMING: 3996400 CPU: 12637.1, 0.00321583/step Wall: 12637.1, 0.00321583/step, 0.896501 hours remaining, 238.410156 MB of memory in use. ENERGY: 3996400 3987.9028 20565.2768 14463.8487 251.2457 -203212.9813 2702.6729 0.0000 0.0000 52051.0439 -109190.9906 299.1381 -161242.0345 -108831.8977 299.3543 -108.6681 -74.8048 762974.6405 -0.8558 -0.7827 PRESSURE: 3996600 30.6429 69.6266 -88.0307 69.6269 -208.324 -276.886 -88.0308 -276.886 47.7011 GPRESSURE: 3996600 -10.5192 -1.13473 -99.1496 96.4231 -75.918 -236.734 -25.9278 -352.452 52.0371 PRESSAVG: 3996600 16.2138 19.6499 -13.7659 19.6501 -42.5836 -35.9962 -13.7659 -35.9962 2.9668 GPRESSAVG: 3996600 15.1289 17.3864 -14.7061 21.1664 -41.3081 -35.1957 -14.1772 -38.9176 2.18327 TIMING: 3996600 CPU: 12637.8, 0.00315815/step Wall: 12637.8, 0.00315815/step, 0.880246 hours remaining, 238.613281 MB of memory in use. ENERGY: 3996600 3996.4936 20462.9899 14544.0445 255.8688 -203395.5225 2796.5618 0.0000 0.0000 52041.1008 -109298.4631 299.0809 -161339.5639 -108927.0470 299.4225 -43.3266 -11.4667 763515.5852 -7.8010 -7.9986 PRESSURE: 3996800 -11.6974 131.493 -253.601 131.493 86.0824 120.261 -253.601 120.261 65.4477 GPRESSURE: 3996800 83.264 189.077 -307.157 94.2904 -0.91437 102.288 -191.666 211.876 118.18 PRESSAVG: 3996800 -17.7212 -34.1469 -9.38862 -34.1469 -3.13972 20.6778 -9.38869 20.6779 14.0588 GPRESSAVG: 3996800 -17.762 -32.8137 -9.61451 -33.6257 -4.6456 19.5061 -8.14059 23.4265 15.2056 TIMING: 3996800 CPU: 12638.4, 0.00315416/step Wall: 12638.4, 0.00315416/step, 0.878959 hours remaining, 238.613281 MB of memory in use. ENERGY: 3996800 3977.1854 20528.6610 14475.5893 238.0783 -203128.6020 2645.1132 0.0000 0.0000 52117.3560 -109146.6189 299.5192 -161263.9748 -108785.9144 299.2899 46.6109 66.8432 763760.7031 -2.2674 -2.4007 PRESSURE: 3997000 95.1145 -107.923 -49.549 -107.923 -146.658 -38.1813 -49.5485 -38.1818 125.202 GPRESSURE: 3997000 108.513 -67.4531 6.17599 -199.956 -121.132 -44.5081 -69.8592 -102.756 193.101 PRESSAVG: 3997000 49.5013 -24.8635 21.9866 -24.8636 -38.2196 5.50058 21.9866 5.50055 15.449 GPRESSAVG: 3997000 49.5484 -24.8833 23.281 -26.6137 -38.3005 5.75899 21.2668 5.15265 15.2912 TIMING: 3997000 CPU: 12639, 0.00316149/step Wall: 12639, 0.00316148/step, 0.880825 hours remaining, 238.613281 MB of memory in use. ENERGY: 3997000 3949.6304 20431.8686 14454.1195 253.8026 -203110.3176 2824.4493 0.0000 0.0000 52148.1358 -109048.3114 299.6961 -161196.4472 -108684.4724 300.1305 24.5530 60.1608 763379.8366 8.9102 8.8464 PRESSURE: 3997200 -100.951 -53.5631 201.505 -53.564 228.055 11.0447 201.505 11.0463 97.1898 GPRESSURE: 3997200 -17.8767 -163.388 193.489 -101.782 233.878 -67.8912 174.406 -2.10494 123.062 PRESSAVG: 3997200 26.0287 21.2447 5.85945 21.2447 0.54904 1.57055 5.85944 1.57054 48.107 GPRESSAVG: 3997200 26.8616 20.8761 4.02681 21.7414 0.5389 1.61055 6.64126 0.626838 47.587 TIMING: 3997200 CPU: 12639.7, 0.00315789/step Wall: 12639.7, 0.00315789/step, 0.879648 hours remaining, 238.613281 MB of memory in use. ENERGY: 3997200 3972.0470 20571.4235 14400.7987 279.6470 -202968.4166 2480.6734 0.0000 0.0000 52157.9921 -109105.8348 299.7527 -161263.8270 -108747.2429 300.1162 74.7645 113.0212 762055.7037 24.8949 24.9958 PRESSURE: 3997400 525.78 -67.586 96.4602 -67.586 132.817 -188.605 96.4604 -188.605 113.677 GPRESSURE: 3997400 625.072 -63.1611 174.444 -56.9656 135.135 -271.003 116.898 -118.532 106.558 PRESSAVG: 3997400 109.435 3.06674 -6.04591 3.06676 -57.0183 8.90736 -6.0459 8.90734 3.2638 GPRESSAVG: 3997400 110.186 2.08685 -5.91219 4.02261 -56.7996 7.61713 -5.16918 9.331 1.98754 TIMING: 3997400 CPU: 12640.3, 0.00315596/step Wall: 12640.3, 0.00315596/step, 0.878934 hours remaining, 238.613281 MB of memory in use. ENERGY: 3997400 3944.6486 20557.1382 14459.0315 256.8418 -203367.4437 2719.0242 0.0000 0.0000 52221.1197 -109209.6397 300.1155 -161430.7594 -108844.9251 300.3492 257.4247 288.9218 761955.5278 18.5603 18.4580 PRESSURE: 3997600 91.9697 24.0322 -26.3958 24.0316 241.15 7.26355 -26.3963 7.2639 169.331 GPRESSURE: 3997600 178.965 -38.367 54.3621 82.8451 222.39 -52.9231 -91.9872 38.105 184.361 PRESSAVG: 3997600 26.7783 -47.9363 5.37984 -47.9364 1.08482 -43.9106 5.37983 -43.9106 12.116 GPRESSAVG: 3997600 26.2792 -47.5451 6.0554 -47.1619 -0.210631 -42.5017 4.29311 -44.6651 14.393 TIMING: 3997600 CPU: 12640.9, 0.00314869/step Wall: 12640.9, 0.00314869/step, 0.876735 hours remaining, 238.613281 MB of memory in use. ENERGY: 3997600 4082.2367 20335.2952 14532.8049 244.7637 -203817.0668 2977.7957 0.0000 0.0000 52357.3535 -109286.8171 300.8984 -161644.1706 -108933.6602 300.3761 167.4835 195.2387 761420.0594 13.3264 13.4872 PRESSURE: 3997800 -84.1646 -162.375 100.282 -162.375 -41.945 -166.979 100.283 -166.979 -77.2872 GPRESSURE: 3997800 -57.4501 -220.354 154.676 -210.425 84.6335 -120.525 234.132 -69.3761 -125.733 PRESSAVG: 3997800 23.0842 -5.98087 21.6464 -5.98077 -40.9993 -54.8783 21.6464 -54.8783 12.8848 GPRESSAVG: 3997800 23.436 -5.53455 19.8081 -7.64493 -39.116 -54.5801 22.7557 -55.4165 10.4587 TIMING: 3997800 CPU: 12641.6, 0.00315732/step Wall: 12641.6, 0.00315732/step, 0.878963 hours remaining, 238.613281 MB of memory in use. ENERGY: 3997800 3918.4273 20480.1303 14433.9465 242.6931 -203456.4155 2443.0550 0.0000 0.0000 52280.2975 -109657.8659 300.4556 -161938.1633 -109287.4182 299.6510 -67.7989 -32.8498 761443.9879 -1.6768 -1.7404 PRESSURE: 3998000 -109.936 -82.0208 -9.08332 -82.0209 -444.222 -42.1405 -9.08294 -42.14 37.6813 GPRESSURE: 3998000 -157.967 -59.7838 -40.8263 -64.4727 -272.593 -81.2098 -156.598 -68.7824 22.5336 PRESSAVG: 3998000 60.7054 -9.64982 -10.216 -9.64978 -40.6006 -53.0594 -10.216 -53.0594 9.53905 GPRESSAVG: 3998000 59.4109 -11.1602 -8.14171 -9.65802 -40.3276 -54.0547 -11.4865 -51.9187 10.0934 TIMING: 3998000 CPU: 12642.2, 0.00315246/step Wall: 12642.2, 0.00315246/step, 0.877436 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3998000 3966.9265 20793.0559 14411.6855 243.0199 -204043.1737 2592.7755 0.0000 0.0000 52218.6619 -109817.0485 300.1014 -162035.7104 -109449.9359 299.6470 -172.1586 -136.0090 761660.7098 9.8813 9.7256 PRESSURE: 3998200 102.775 -55.6206 -142.322 -55.6216 -111.262 83.9108 -142.323 83.9103 -404.584 GPRESSURE: 3998200 175.588 -77.626 -34.8561 -112.616 -150.416 -17.7678 -200.623 207.274 -350.96 PRESSAVG: 3998200 -39.6893 3.95107 -18.8746 3.95099 30.4088 -4.38542 -18.8746 -4.3855 12.5034 GPRESSAVG: 3998200 -38.7169 5.10238 -19.6543 3.08871 28.3846 -2.90068 -19.1703 -4.67467 13.2438 TIMING: 3998200 CPU: 12642.8, 0.00316536/step Wall: 12642.8, 0.00316536/step, 0.880849 hours remaining, 238.613281 MB of memory in use. ENERGY: 3998200 3987.3772 20447.2045 14418.7022 249.9561 -203838.3970 2703.1976 0.0000 0.0000 52293.3905 -109738.5690 300.5308 -162031.9594 -109376.3132 299.3111 -137.6903 -108.5960 761771.4151 1.0743 0.9705 PRESSURE: 3998400 269.376 -109.236 -37.4477 -109.237 -116.114 181.979 -37.4476 181.978 7.35956 GPRESSURE: 3998400 197.665 -34.699 55.6012 -59.4623 -7.44531 192.267 35.6918 -22.535 69.1578 PRESSAVG: 3998400 47.7912 -39.9597 -40.8291 -39.9597 -16.1897 20.2466 -40.8292 20.2466 -11.1087 GPRESSAVG: 3998400 46.5733 -39.6951 -40.9749 -38.134 -15.4895 18.5001 -41.09 19.3744 -11.3641 TIMING: 3998400 CPU: 12643.4, 0.00314058/step Wall: 12643.4, 0.00314058/step, 0.873778 hours remaining, 238.613281 MB of memory in use. ENERGY: 3998400 4015.3709 20445.9155 14504.9856 240.2177 -203749.0679 2732.0653 0.0000 0.0000 52136.9477 -109673.5651 299.6318 -161810.5128 -109305.7927 299.5110 53.5406 86.4592 761017.6635 6.8309 6.5732 PRESSURE: 3998600 -282.499 -28.5779 224.637 -28.5789 -263.413 -166.757 224.636 -166.757 -32.4815 GPRESSURE: 3998600 -268.37 -42.1961 219.878 31.8862 -199.007 -131.168 173.722 -186.055 -33.6582 PRESSAVG: 3998600 44.5464 1.26153 -24.1407 1.26155 -54.9118 -14.662 -24.1407 -14.662 3.59777 GPRESSAVG: 3998600 45.2135 0.794068 -23.2233 -1.68222 -54.9021 -12.8249 -24.2195 -13.9706 2.93733 TIMING: 3998600 CPU: 12644.1, 0.00316546/step Wall: 12644.1, 0.00316546/step, 0.880526 hours remaining, 238.613281 MB of memory in use. ENERGY: 3998600 4041.3795 20565.9588 14470.4440 270.4278 -203726.0512 2800.8420 0.0000 0.0000 52056.1614 -109520.8378 299.1675 -161576.9992 -109167.9709 299.7689 -192.7976 -167.0117 759746.8583 -2.2559 -2.2504 PRESSURE: 3998800 300.19 75.4758 -40.058 75.476 65.867 1.8722 -40.0581 1.87121 355.158 GPRESSURE: 3998800 314.745 42.0098 -16.7025 -6.06836 122.457 -10.893 12.2762 -7.76468 345.589 PRESSAVG: 3998800 -44.235 -33.4146 3.98164 -33.4146 23.2734 -19.4272 3.98159 -19.4272 -13.8445 GPRESSAVG: 3998800 -44.3315 -34.993 2.48349 -32.2758 22.7609 -19.834 6.324 -20.8579 -13.3666 TIMING: 3998800 CPU: 12644.7, 0.00315518/step Wall: 12644.7, 0.00315519/step, 0.877492 hours remaining, 238.613281 MB of memory in use. ENERGY: 3998800 3941.8882 20491.5401 14455.5577 242.8376 -203317.6716 2569.3689 0.0000 0.0000 51998.0240 -109618.4550 298.8334 -161616.4790 -109256.1304 299.4735 240.4050 260.9301 758224.8279 -11.6020 -11.6457 PRESSURE: 3999000 -32.1922 33.1431 -258.294 33.1435 421.953 -8.70129 -258.293 -8.70168 199.639 GPRESSURE: 3999000 -19.2888 62.7221 -325.3 196.431 458.554 -20.367 -227.19 -196.432 224.552 PRESSAVG: 3999000 26.9416 -23.2724 -34.5682 -23.2724 -18.2268 -40.3825 -34.5682 -40.3824 10.3261 GPRESSAVG: 3999000 26.5648 -21.6287 -34.0069 -23.1794 -18.6631 -40.6526 -34.3192 -41.4748 11.5187 TIMING: 3999000 CPU: 12645.3, 0.00315092/step Wall: 12645.3, 0.00315092/step, 0.876131 hours remaining, 238.613281 MB of memory in use. ENERGY: 3999000 3976.6139 20495.7804 14462.8630 260.7423 -203982.5263 3030.4665 0.0000 0.0000 52277.5421 -109478.5181 300.4398 -161756.0602 -109127.0304 299.7637 196.4669 221.2724 760026.5654 6.3470 6.4735 PRESSURE: 3999200 80.1934 -8.28405 -41.5475 -8.28347 -193.65 -206.743 -41.5481 -206.742 333.494 GPRESSURE: 3999200 144.587 -12.4074 0.487558 36.8246 -93.8212 -202.471 23.2692 -169.827 259.122 PRESSAVG: 3999200 -18.5538 15.9551 -38.8665 15.9551 1.14966 -6.1652 -38.8666 -6.16519 -4.90656 GPRESSAVG: 3999200 -17.4539 13.5982 -38.1551 17.5116 0.842428 -4.73596 -40.0965 -4.99491 -5.44113 TIMING: 3999200 CPU: 12646, 0.00313825/step Wall: 12646, 0.00313825/step, 0.872433 hours remaining, 238.613281 MB of memory in use. ENERGY: 3999200 3928.4038 20428.1127 14419.1384 263.0451 -203610.2144 2647.5127 0.0000 0.0000 52366.0824 -109557.9194 300.9486 -161924.0017 -109184.1468 299.7331 73.3460 103.2959 760138.4024 -7.4369 -7.3509 PRESSURE: 3999400 -134.782 104.152 -376.867 104.151 34.7263 -84.8973 -376.866 -84.8983 446.113 GPRESSURE: 3999400 -80.8251 15.3948 -294.218 120.232 92.9478 -44.3468 -325.333 -96.4309 423.225 PRESSAVG: 3999400 -79.423 -31.473 -48.5658 -31.4731 18.1805 -23.7195 -48.5658 -23.7196 -2.72309 GPRESSAVG: 3999400 -78.7518 -27.7436 -49.7626 -33.6941 18.5893 -24.7184 -47.9859 -21.1976 -3.69918 TIMING: 3999400 CPU: 12646.6, 0.00315098/step Wall: 12646.6, 0.00315098/step, 0.875798 hours remaining, 238.613281 MB of memory in use. ENERGY: 3999400 3971.0204 20437.3577 14449.8731 247.4287 -203774.0094 2785.0305 0.0000 0.0000 52388.7487 -109494.5502 301.0789 -161883.2989 -109135.3072 299.8988 115.3524 145.1157 760427.6380 -21.3219 -21.2872 PRESSURE: 3999600 -372.392 -110.212 -110.755 -110.211 35.8572 190.341 -110.755 190.342 272.853 GPRESSURE: 3999600 -174.037 -64.8798 -117.976 -54.1981 50.7736 185.25 -38.4651 125.845 157.014 PRESSAVG: 3999600 7.64621 -35.5016 13.485 -35.5016 1.84627 14.5406 13.485 14.5405 34.98 GPRESSAVG: 3999600 5.84265 -37.7114 13.5089 -37.0244 2.36831 13.6455 12.9455 13.5561 34.9482 TIMING: 3999600 CPU: 12647.2, 0.00314611/step Wall: 12647.2, 0.00314611/step, 0.87427 hours remaining, 238.613281 MB of memory in use. ENERGY: 3999600 4015.6842 20286.4900 14516.9761 261.5260 -203051.0429 2478.6077 0.0000 0.0000 52008.9446 -109482.8143 298.8961 -161491.7589 -109112.4874 299.5991 -21.2274 11.2502 762045.7856 14.8241 14.3864 PRESSURE: 3999800 -89.7329 -330.183 69.7726 -330.182 -52.9723 8.07469 69.7724 8.07449 19.1625 GPRESSURE: 3999800 -16.9872 -339.62 -26.6942 -297.168 -118.154 20.1154 4.88733 16.8627 96.6621 PRESSAVG: 3999800 22.5582 -5.27933 27.0163 -5.27929 -0.68239 14.7505 27.0163 14.7505 13.4954 GPRESSAVG: 3999800 23.7486 -5.36098 27.4308 -3.23542 -2.43965 15.2589 25.2032 14.8099 14.0847 TIMING: 3999800 CPU: 12647.9, 0.00313167/step Wall: 12647.9, 0.00313167/step, 0.870083 hours remaining, 238.613281 MB of memory in use. ENERGY: 3999800 4038.3225 20451.2726 14436.5678 242.5533 -202817.3399 2386.7453 0.0000 0.0000 51976.4018 -109285.4767 298.7091 -161261.8785 -108939.9876 299.2813 -41.1809 -12.8265 763364.2388 11.7904 11.7979 PRESSURE: 4000000 -103.995 260.942 -342.842 260.942 -197.747 155.519 -342.841 155.52 -38.899 GPRESSURE: 4000000 5.5801 192.562 -272.553 265.985 -185.139 140.312 -215.621 178.688 -103.534 PRESSAVG: 4000000 -3.57895 21.4119 -14.9124 21.412 -24.1838 13.7406 -14.9124 13.7406 -3.2773 GPRESSAVG: 4000000 -4.52311 18.6996 -14.4505 22.814 -23.2797 15.1276 -13.6662 14.3906 -2.78508 TIMING: 4000000 CPU: 12648.5, 0.0031681/step Wall: 12648.5, 0.0031681/step, 0.880029 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4000000 3989.1471 20676.1064 14467.0224 237.1025 -203198.8532 2438.6564 0.0000 0.0000 52114.9513 -109275.8672 299.5053 -161390.8185 -108918.5115 299.7369 -113.5470 -94.3643 762629.6548 -10.3467 -10.1959 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4000000 WRITING COORDINATES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4000200 -42.3496 -178.992 10.366 -178.992 101.758 155.436 10.3659 155.437 396.795 GPRESSURE: 4000200 24.0677 -165.214 1.17824 -102.622 125.743 114.531 -42.204 186.677 395.124 PRESSAVG: 4000200 -41.7383 -24.1861 2.64218 -24.1862 -2.95131 10.659 2.64225 10.6589 2.0912 GPRESSAVG: 4000200 -41.4638 -20.9619 2.76657 -24.7854 -2.47603 9.81316 1.64107 9.75747 0.979686 TIMING: 4000200 CPU: 12649.1, 0.00327004/step Wall: 12649.1, 0.00327004/step, 0.908162 hours remaining, 238.613281 MB of memory in use. ENERGY: 4000200 3983.3704 20507.6855 14436.2750 246.5919 -203269.8876 2728.0051 0.0000 0.0000 52052.7282 -109315.2315 299.1477 -161367.9597 -108959.4769 299.2456 152.0678 181.6451 763159.2365 -14.1995 -14.3200 LDB: ============= START OF LOAD BALANCING ============== 12661.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12661.5 LDB: =============== DONE WITH MIGRATION ================ 12661.5 LDB: ============= START OF LOAD BALANCING ============== 12661.9 LDB: Largest compute 7055 load 0.035117 is 17.9% of average load 0.196072 LDB: Average compute 0.004394 is 2.2% of average load 0.196072 LDB: TIME 12661.9 LOAD: AVG 0.196072 MAX 0.21762 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 12661.9 LOAD: AVG 0.196072 MAX 0.21762 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 12661.9 LOAD: AVG 0.196072 MAX 0.21762 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 12661.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12661.9 PRESSURE: 4000400 -47.9882 -289.764 -120.262 -289.765 31.4721 95.4911 -120.261 95.4911 181.309 GPRESSURE: 4000400 9.59569 -249.895 -171.95 -229.814 48.7841 149.385 -65.8295 -14.6838 183.688 PRESSAVG: 4000400 -24.5037 -57.0413 -44.1497 -57.0413 50.5972 69.6035 -44.1496 69.6035 17.8093 GPRESSAVG: 4000400 -24.9669 -57.4341 -46.1039 -57.9633 50.8371 70.555 -41.8739 68.6263 18.5289 TIMING: 4000400 CPU: 12649.8, 0.00320871/step Wall: 12649.8, 0.00320871/step, 0.890953 hours remaining, 238.152344 MB of memory in use. ENERGY: 4000400 4012.8997 20544.6659 14428.3048 242.9741 -203335.2979 2682.4744 0.0000 0.0000 52069.7087 -109354.2703 299.2453 -161423.9791 -109007.5509 299.6205 54.9309 80.6891 763244.5489 14.6343 14.7997 PRESSURE: 4000600 193.619 -112.034 140.518 -112.034 -121.142 -10.2869 140.518 -10.2879 -233.908 GPRESSURE: 4000600 274.395 -71.3051 237.061 -186.445 -97.6333 0.186603 23.6943 57.5347 -277.283 PRESSAVG: 4000600 18.0798 -31.8923 -16.6821 -31.8923 -16.4146 34.1686 -16.6821 34.1686 -5.66774 GPRESSAVG: 4000600 18.7922 -31.3043 -14.5555 -33.156 -16.6787 33.9383 -18.0517 34.9787 -6.31494 TIMING: 4000600 CPU: 12650.4, 0.00313566/step Wall: 12650.4, 0.00313566/step, 0.870493 hours remaining, 238.152344 MB of memory in use. ENERGY: 4000600 4025.4567 20488.5655 14466.3934 251.6394 -203138.1199 2706.4521 0.0000 0.0000 51932.2190 -109267.3938 298.4552 -161199.6128 -108905.2117 299.1952 -53.8105 -33.5069 764095.8210 -1.3342 -1.4005 PRESSURE: 4000800 396.038 110.911 -2.4378 110.911 -95.4991 -95.4209 -2.43847 -95.4211 -120.723 GPRESSURE: 4000800 408.36 68.7419 81.5848 22.4224 -60.5662 -36.1668 -137.995 -86.8118 -105.525 PRESSAVG: 4000800 37.6913 -63.3573 8.33682 -63.3573 14.2161 -23.2308 8.33685 -23.2308 20.9207 GPRESSAVG: 4000800 38.634 -63.9164 9.0274 -63.0646 13.6455 -23.3324 8.24409 -21.6992 20.8847 TIMING: 4000800 CPU: 12651, 0.00315047/step Wall: 12651, 0.00315047/step, 0.87443 hours remaining, 238.152344 MB of memory in use. ENERGY: 4000800 3958.1277 20306.1617 14418.6115 247.0117 -203082.6066 2688.2313 0.0000 0.0000 52090.7891 -109373.6736 299.3665 -161464.4627 -109008.4288 299.1398 59.9387 80.7563 761734.6313 24.2760 24.3881 PRESSURE: 4001000 -62.3812 286.39 -56.6245 286.39 -173.952 68.4502 -56.6256 68.4492 259.509 GPRESSURE: 4001000 59.6587 229.378 -161.91 193.105 -166.336 18.5655 -32.6333 -6.43209 204.05 PRESSAVG: 4001000 35.8174 -44.4002 18.5293 -44.4002 -11.2651 40.7402 18.5293 40.7402 17.7184 GPRESSAVG: 4001000 34.9933 -43.9907 17.5818 -44.5887 -9.85636 39.3212 18.3594 37.6463 17.5447 TIMING: 4001000 CPU: 12651.7, 0.00314578/step Wall: 12651.7, 0.00314578/step, 0.872953 hours remaining, 238.152344 MB of memory in use. ENERGY: 4001000 4021.7935 20484.0781 14446.0758 237.5390 -202700.5243 2241.9137 0.0000 0.0000 52094.3376 -109174.7867 299.3869 -161269.1243 -108810.3818 299.0172 7.7250 32.4576 763135.6351 14.0902 14.2272 PRESSURE: 4001200 53.172 120.983 -20.5281 120.982 71.1913 -15.6956 -20.5276 -15.6964 184.591 GPRESSURE: 4001200 155.255 131.477 32.5714 162.514 39.3004 -20.7502 -0.863441 -59.3865 209.048 PRESSAVG: 4001200 11.9189 -35.2582 56.3638 -35.2582 -6.92838 17.9736 56.3637 17.9736 1.25642 GPRESSAVG: 4001200 12.3031 -36.387 56.5105 -33.6098 -7.86316 19.1113 56.9194 19.905 1.18471 TIMING: 4001200 CPU: 12652.3, 0.00315168/step Wall: 12652.3, 0.00315168/step, 0.874417 hours remaining, 238.152344 MB of memory in use. ENERGY: 4001200 3990.3042 20396.0371 14498.5014 261.1410 -203282.7064 2867.7786 0.0000 0.0000 52012.3417 -109256.6024 298.9156 -161268.9441 -108895.4088 299.3493 102.9848 134.5344 763374.2918 2.0823 1.8749 PRESSURE: 4001400 -23.5218 -0.539513 68.5375 -0.540181 -233.341 -46.1518 68.5384 -46.1522 101.184 GPRESSURE: 4001400 -111.135 3.63632 93.563 -34.6234 -177.586 15.6527 71.5312 61.9577 240.423 PRESSAVG: 4001400 -8.54934 -30.5651 9.82458 -30.5651 -3.20135 51.4323 9.82459 51.4324 10.0545 GPRESSAVG: 4001400 -8.94247 -30.0922 8.74384 -32.4794 -3.12947 49.1741 11.0982 51.4921 10.473 TIMING: 4001400 CPU: 12652.9, 0.00314305/step Wall: 12652.9, 0.00314305/step, 0.871847 hours remaining, 238.152344 MB of memory in use. ENERGY: 4001400 3952.7549 20336.9530 14378.2989 229.8495 -203027.2234 2648.7535 0.0000 0.0000 52117.1471 -109363.4665 299.5180 -161480.6136 -109005.9515 299.6119 -51.8931 -16.0993 763446.1554 -0.5654 -0.5330 PRESSURE: 4001600 4.84553 -169.272 23.2541 -169.272 -139.653 157.616 23.2538 157.616 -40.5298 GPRESSURE: 4001600 38.4444 -120.639 -75.8376 -157.212 -108.439 146.797 35.2783 153.397 -21.1148 PRESSAVG: 4001600 -3.36348 -63.7432 0.414743 -63.7432 -26.2939 -11.4771 0.414797 -11.4772 -7.43228 GPRESSAVG: 4001600 -2.40516 -65.1392 0.071695 -61.0327 -25.9497 -8.87694 -0.210028 -12.2193 -8.20542 TIMING: 4001600 CPU: 12653.6, 0.00315681/step Wall: 12653.6, 0.00315681/step, 0.875489 hours remaining, 238.152344 MB of memory in use. ENERGY: 4001600 4004.3153 20340.8288 14412.7043 245.3644 -202982.4607 2417.7848 0.0000 0.0000 52093.8699 -109467.5932 299.3842 -161561.4631 -109114.4798 298.9627 -58.4458 -30.3696 762665.6451 -12.3632 -12.1868 PRESSURE: 4001800 38.0916 57.4859 -72.2386 57.4852 194.723 236.077 -72.2397 236.077 -108.126 GPRESSURE: 4001800 29.4285 -31.4899 14.348 20.0719 299.232 217.975 -66.8891 201.003 -149.735 PRESSAVG: 4001800 29.915 -40.5727 8.03095 -40.5727 -36.947 -8.76655 8.03093 -8.76654 4.11655 GPRESSAVG: 4001800 29.1054 -40.1336 9.72862 -40.827 -36.5901 -11.3372 6.78289 -9.25275 4.47473 TIMING: 4001800 CPU: 12654.2, 0.00315829/step Wall: 12654.2, 0.00315829/step, 0.875724 hours remaining, 238.152344 MB of memory in use. ENERGY: 4001800 3948.2316 20627.4758 14462.6156 255.8745 -203498.5420 2532.8880 0.0000 0.0000 52063.6942 -109607.7623 299.2108 -161671.4564 -109252.6145 299.0116 41.5630 59.6420 761375.9366 -0.9718 -1.0033 PRESSURE: 4002000 61.3136 -217.032 -78.0348 -217.031 -208.795 -213.752 -78.0352 -213.752 233.272 GPRESSURE: 4002000 165.854 -268.595 -25.8915 -163.369 -180.473 -203.351 -232.52 -100.117 186.484 PRESSAVG: 4002000 40.0417 -92.2336 -0.426152 -92.2335 -16.3689 4.09347 -0.426183 4.0936 10.3096 GPRESSAVG: 4002000 39.9076 -93.546 -1.71668 -92.5036 -17.2148 4.70332 -0.0476637 4.83162 11.3234 TIMING: 4002000 CPU: 12654.8, 0.00315129/step Wall: 12654.8, 0.00315129/step, 0.873608 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4002000 3993.8727 20507.5255 14472.5792 237.9894 -203395.9663 2513.4929 0.0000 0.0000 51925.3747 -109745.1318 298.4158 -161670.5065 -109383.0066 298.8096 28.5969 57.2882 759526.9584 11.3275 11.3388 PRESSURE: 4002200 212.806 59.8736 40.7746 59.8739 -174.34 -30.5592 40.7748 -30.558 -20.7759 GPRESSURE: 4002200 235.065 49.9789 -19.0976 -58.1071 -119.248 -67.4698 -4.55509 -73.8206 -10.1574 PRESSAVG: 4002200 27.6952 -1.75357 -2.97289 -1.75358 -30.9695 38.7749 -2.97289 38.775 -4.54296 GPRESSAVG: 4002200 27.4315 -2.8682 -3.32102 -1.11184 -30.2249 38.7123 -2.8117 39.4681 -5.11486 TIMING: 4002200 CPU: 12655.5, 0.00316476/step Wall: 12655.5, 0.00316476/step, 0.877167 hours remaining, 238.152344 MB of memory in use. ENERGY: 4002200 3955.8948 20433.6156 14393.1334 245.6580 -203403.4321 2566.2781 0.0000 0.0000 51889.3009 -109919.5514 298.2085 -161808.8523 -109554.4439 298.3544 5.8965 35.2198 761470.5004 -2.6057 -2.6361 PRESSURE: 4002400 214.835 -77.4464 -66.8704 -77.4476 -82.2296 22.6135 -66.8718 22.6127 96.1902 GPRESSURE: 4002400 170.334 -116.216 -70.4577 -169.413 43.6341 43.3594 -59.9934 -65.7139 107.858 PRESSAVG: 4002400 1.37374 -36.0658 -12.4888 -36.0658 41.4776 3.66456 -12.4888 3.66458 -8.8254 GPRESSAVG: 4002400 2.11116 -34.3597 -12.0114 -37.3803 40.6471 3.88472 -12.2398 4.45394 -8.22336 TIMING: 4002400 CPU: 12656.1, 0.00316414/step Wall: 12656.1, 0.00316414/step, 0.876817 hours remaining, 238.152344 MB of memory in use. ENERGY: 4002400 3957.0768 20575.9253 14422.6553 218.6635 -203292.8412 2568.4263 0.0000 0.0000 51854.4289 -109695.6651 298.0081 -161550.0940 -109347.6606 298.7953 76.2650 107.2753 761213.1050 11.3420 11.5116 PRESSURE: 4002600 298.301 -13.6849 11.1733 -13.6847 -10.6832 90.4798 11.1738 90.4794 -250.268 GPRESSURE: 4002600 290.367 106.764 -35.4953 -149.262 5.79624 29.2067 3.27413 16.167 -178.892 PRESSAVG: 4002600 22.5531 27.4706 22.8199 27.4706 -34.3145 24.714 22.8199 24.714 -3.90011 GPRESSAVG: 4002600 21.1777 28.5229 21.7205 26.2626 -33.7622 25.3945 21.5805 24.0006 -3.15115 TIMING: 4002600 CPU: 12656.7, 0.00317285/step Wall: 12656.7, 0.00317285/step, 0.879056 hours remaining, 238.152344 MB of memory in use. ENERGY: 4002600 3973.2019 20581.8681 14400.9980 221.4777 -203678.7435 2727.6000 0.0000 0.0000 52227.0873 -109546.5106 300.1498 -161773.5979 -109200.3874 299.0749 12.4502 39.0902 763328.5187 -5.2205 -5.2452 PRESSURE: 4002800 3.65756 -78.3991 210.073 -78.3993 -69.6056 -290.27 210.073 -290.271 -225.302 GPRESSURE: 4002800 53.3474 -195.677 157.407 69.123 -85.7607 -337.711 110.736 -159.005 -179.571 PRESSAVG: 4002800 -14.6525 -77.8622 -5.59617 -77.8621 11.6781 -12.202 -5.59626 -12.202 -0.530542 GPRESSAVG: 4002800 -14.104 -80.1997 -4.28032 -75.1348 11.516 -12.9522 -5.53913 -12.5705 -1.0166 TIMING: 4002800 CPU: 12657.4, 0.00315174/step Wall: 12657.4, 0.00315174/step, 0.873033 hours remaining, 238.152344 MB of memory in use. ENERGY: 4002800 3975.1162 20548.4119 14481.3008 249.1523 -203272.6117 2528.5392 0.0000 0.0000 51924.1984 -109565.8927 298.4091 -161490.0911 -109204.3932 299.1172 -97.0832 -70.6613 761895.3305 -1.1683 -1.2015 PRESSURE: 4003000 -357.24 -27.6908 151.357 -27.691 382.675 -185.784 151.358 -185.785 370.118 GPRESSURE: 4003000 -267.853 -6.85858 174.164 -160.65 381.574 -218.815 2.55169 -128.74 350.779 PRESSAVG: 4003000 -34.8318 -46.6654 7.78237 -46.6654 36.6849 -26.3503 7.78241 -26.3502 0.813285 GPRESSAVG: 4003000 -35.0043 -45.0621 8.02805 -48.4736 37.0636 -25.3718 8.49247 -25.3278 0.399384 TIMING: 4003000 CPU: 12658, 0.00315931/step Wall: 12658, 0.00315931/step, 0.874954 hours remaining, 238.152344 MB of memory in use. ENERGY: 4003000 3996.9911 20433.6345 14359.1540 234.2310 -203235.4640 2590.9644 0.0000 0.0000 52075.9082 -109544.5808 299.2810 -161620.4890 -109183.9537 299.0574 131.8511 154.8334 761611.1050 0.8888 0.8196 PRESSURE: 4003200 92.7573 79.9667 6.27469 79.9669 -247.971 -42.8315 6.2743 -42.8317 -456.343 GPRESSURE: 4003200 143.366 104.639 -34.419 126.137 -229.785 -130 -12.8759 -150.471 -432.753 PRESSAVG: 4003200 14.6977 -33.1174 -9.35206 -33.1174 5.86269 -20.557 -9.35207 -20.557 -13.5302 GPRESSAVG: 4003200 16.3482 -35.7025 -9.3014 -32.9227 4.35534 -22.5246 -9.45863 -21.8768 -12.5823 TIMING: 4003200 CPU: 12658.6, 0.00314517/step Wall: 12658.6, 0.00314517/step, 0.870862 hours remaining, 238.152344 MB of memory in use. ENERGY: 4003200 3909.5929 20403.5643 14443.6500 237.4466 -203092.1405 2413.5385 0.0000 0.0000 51988.9575 -109695.3907 298.7813 -161684.3482 -109327.4050 298.5480 -203.8523 -173.0573 762983.9059 2.3434 2.7071 PRESSURE: 4003400 -285.501 86.1821 113.27 86.1824 -91.3022 -51.6742 113.27 -51.6754 -8.34226 GPRESSURE: 4003400 -256.465 -22.5735 140.485 16.9457 -65.4381 -75.5911 100.709 40.6764 15.9564 PRESSAVG: 4003400 -68.6491 -34.3105 58.826 -34.3105 53.9933 -44.3279 58.826 -44.3279 14.3127 GPRESSAVG: 4003400 -69.4481 -32.3138 59.4508 -33.5876 54.8352 -44.1012 58.7547 -43.3493 14.1555 TIMING: 4003400 CPU: 12659.2, 0.00316788/step Wall: 12659.2, 0.00316788/step, 0.876976 hours remaining, 238.152344 MB of memory in use. ENERGY: 4003400 3994.2400 20261.0582 14429.3340 238.3251 -203332.0773 2558.0694 0.0000 0.0000 52068.1554 -109782.8952 299.2364 -161851.0506 -109416.3904 298.6724 -128.3817 -101.9821 760413.8244 -0.1144 -0.1524 PRESSURE: 4003600 -39.8281 -37.8868 -106.172 -37.8857 140.279 -149.989 -106.172 -149.988 -156.017 GPRESSURE: 4003600 -32.3575 -201.284 -136.792 -39.9287 215.183 -168.573 -38.094 -303.626 -126.201 PRESSAVG: 4003600 -10.3583 -56.9142 -1.64028 -56.9142 33.1136 -22.6754 -1.64029 -22.6755 -9.79612 GPRESSAVG: 4003600 -11.1816 -56.0925 -1.5698 -58.8406 34.4229 -20.2475 -3.14055 -24.2311 -10.4072 TIMING: 4003600 CPU: 12659.9, 0.0031667/step Wall: 12659.9, 0.0031667/step, 0.876471 hours remaining, 238.152344 MB of memory in use. ENERGY: 4003600 3963.2845 20367.6528 14362.4492 239.1225 -203260.6470 2525.2833 0.0000 0.0000 51944.3923 -109858.4624 298.5251 -161802.8547 -109502.2429 298.0546 -18.5221 18.8749 762362.8686 4.3197 4.2780 PRESSURE: 4003800 -374.76 135.754 -197.5 135.755 -131.065 6.31879 -197.5 6.31695 139.727 GPRESSURE: 4003800 -383.826 144.104 -257.05 64.0704 -34.505 66.2191 -212.759 -5.27047 125.539 PRESSAVG: 4003800 -7.8204 10.6056 -75.7835 10.6056 11.3651 -1.83677 -75.7835 -1.83672 20.1884 GPRESSAVG: 4003800 -6.53707 9.78032 -76.6018 12.6168 10.3989 -2.00644 -74.912 -2.22665 19.6535 TIMING: 4003800 CPU: 12660.5, 0.00315999/step Wall: 12660.5, 0.00315999/step, 0.87444 hours remaining, 238.152344 MB of memory in use. ENERGY: 4003800 3965.4481 20443.6099 14372.7452 235.7891 -203273.7030 2539.4631 0.0000 0.0000 51819.3694 -109897.2782 297.8066 -161716.6476 -109533.0500 298.0550 -122.0327 -97.5972 763092.4189 7.9110 7.8385 PRESSURE: 4004000 233.036 -185.543 -83.913 -185.543 -34.2169 -206.55 -83.9123 -206.551 -354.785 GPRESSURE: 4004000 184.365 -168.756 -84.1649 -126.234 -9.14011 -175.632 -66.7997 -121.783 -244.235 PRESSAVG: 4004000 -56.8826 5.93542 -0.283516 5.93557 23.3377 -33.5545 -0.283533 -33.5546 38.7657 GPRESSAVG: 4004000 -57.6059 5.67873 -1.49148 6.54016 23.8848 -37.0502 0.613846 -31.8526 38.7716 TIMING: 4004000 CPU: 12661.1, 0.00315918/step Wall: 12661.1, 0.00315918/step, 0.874039 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4004000 3964.1958 20413.0400 14438.0895 244.8460 -203165.8236 2380.1549 0.0000 0.0000 51784.8171 -109940.6803 297.6081 -161725.4974 -109577.6761 297.9221 -51.9887 -23.0035 762367.2879 1.7403 1.6835 PRESSURE: 4004200 113.849 48.8423 -54.4882 48.8418 -538.241 -72.2334 -54.4887 -72.2333 153.364 GPRESSURE: 4004200 128.927 -57.3772 -87.5953 13.8825 -489.811 -135.752 153.243 -29.5375 183.28 PRESSAVG: 4004200 53.1868 1.85882 11.7819 1.85882 -25.8393 -29.2356 11.7818 -29.2356 9.27529 GPRESSAVG: 4004200 52.8479 2.32272 12.8718 0.209295 -26.3401 -26.5048 11.2619 -30.419 9.95809 TIMING: 4004200 CPU: 12661.8, 0.00316754/step Wall: 12661.8, 0.00316754/step, 0.876177 hours remaining, 238.152344 MB of memory in use. ENERGY: 4004200 4009.8712 20552.0422 14372.0058 231.7000 -203573.6199 2624.3023 0.0000 0.0000 51986.5469 -109797.1514 298.7674 -161783.6984 -109443.5763 298.0236 -90.3426 -59.2013 761558.3574 12.2076 12.1553 LDB: ============= START OF LOAD BALANCING ============== 12674.2 LDB: ============== END OF LOAD BALANCING =============== 12674.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12674.2 LDB: ============= START OF LOAD BALANCING ============== 12674.5 LDB: Largest compute 7032 load 0.032975 is 16.8% of average load 0.196137 LDB: Average compute 0.004378 is 2.2% of average load 0.196137 LDB: TIME 12674.5 LOAD: AVG 0.196137 MAX 0.220725 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 12674.5 LOAD: AVG 0.196137 MAX 0.220725 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 12674.5 LOAD: AVG 0.196137 MAX 0.218521 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 12674.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12674.5 PRESSURE: 4004400 171.753 -7.85371 185.678 -7.8545 152.972 13.2246 185.678 13.2244 299.043 GPRESSURE: 4004400 284.163 50.0988 161.838 189.099 215.692 21.027 209.374 -27.6758 205.261 PRESSAVG: 4004400 21.6934 -54.0176 -19.2863 -54.0176 -36.8197 -34.6397 -19.2864 -34.6397 16.9833 GPRESSAVG: 4004400 22.8452 -51.1387 -18.754 -52.8882 -37.4003 -35.3798 -18.1398 -34.6822 16.5397 TIMING: 4004400 CPU: 12662.4, 0.00322485/step Wall: 12662.4, 0.00322485/step, 0.891851 hours remaining, 238.406250 MB of memory in use. ENERGY: 4004400 3996.8163 20235.0500 14442.9948 250.5715 -203451.3153 2691.8627 0.0000 0.0000 51908.5202 -109925.4997 298.3190 -161834.0200 -109555.1614 298.0054 207.9230 235.0388 761018.4812 0.6190 0.6615 PRESSURE: 4004600 115.124 143.333 79.3403 143.333 191.785 -77.0068 79.3409 -77.0076 388.254 GPRESSURE: 4004600 149.509 156.44 127.23 143.808 228.341 -105.402 -8.50574 -17.8742 395.387 PRESSAVG: 4004600 50.1029 -3.02529 -6.92312 -3.02529 -38.8933 -18.7911 -6.92313 -18.791 32.8016 GPRESSAVG: 4004600 50.6865 -3.99343 -6.00534 -2.67519 -39.3106 -19.2409 -9.92284 -18.6326 32.708 TIMING: 4004600 CPU: 12663.1, 0.00314777/step Wall: 12663.1, 0.00314777/step, 0.870357 hours remaining, 238.406250 MB of memory in use. ENERGY: 4004600 3853.9526 20150.3231 14386.8627 243.8397 -203523.6056 2736.8630 0.0000 0.0000 52083.9740 -110067.7905 299.3273 -162151.7645 -109694.6247 297.8151 231.7210 257.7456 760689.3796 14.6704 14.6946 PRESSURE: 4004800 -38.2145 -3.86349 -40.4428 -3.86371 -61.6555 -79.2263 -40.4434 -79.2271 -545.797 GPRESSURE: 4004800 -79.3115 27.9268 -41.7979 5.23987 51.3309 -32.8954 68.7869 -107.346 -515.365 PRESSAVG: 4004800 -24.6951 9.4914 -12.23 9.4914 23.3331 4.14323 -12.23 4.14327 -10.992 GPRESSAVG: 4004800 -25.4119 7.33399 -13.0429 9.78175 25.781 5.83812 -10.6194 3.14909 -12.3851 TIMING: 4004800 CPU: 12663.7, 0.00317299/step Wall: 12663.7, 0.00317299/step, 0.877156 hours remaining, 238.406250 MB of memory in use. ENERGY: 4004800 4002.0343 20379.2079 14349.8493 241.3417 -203376.8818 2687.0604 0.0000 0.0000 51671.2564 -110046.1318 296.9554 -161717.3882 -109692.7700 297.6419 -215.2222 -181.1154 763231.1225 -4.1180 -4.0053 PRESSURE: 4005000 -87.9921 1.43231 -266.047 1.43128 50.49 -82.5745 -266.047 -82.5745 -50.4318 GPRESSURE: 4005000 -36.4997 60.3519 -185.19 -44.5298 120.684 -128.104 -225.388 -38.3729 -83.0408 PRESSAVG: 4005000 -4.75032 -12.7399 -48.818 -12.7399 -14.3974 7.89052 -48.818 7.89053 -8.72676 GPRESSAVG: 4005000 -4.37536 -11.6445 -47.7483 -15.2928 -16.7581 5.94171 -47.6308 11.2924 -7.03341 TIMING: 4005000 CPU: 12664.3, 0.00317558/step Wall: 12664.3, 0.00317558/step, 0.877695 hours remaining, 238.406250 MB of memory in use. ENERGY: 4005000 3906.4551 20344.9277 14357.7718 249.6990 -203747.3362 3009.8260 0.0000 0.0000 51850.6863 -110027.9702 297.9866 -161878.6565 -109664.9774 298.0093 -29.3113 0.3811 763095.5243 -9.2915 -9.3889 PRESSURE: 4005200 35.0698 42.2793 241.558 42.2797 -45.8537 -30.555 241.56 -30.5556 6.53901 GPRESSURE: 4005200 112.742 -97.5012 295.321 40.4713 -53.3872 -83.0108 222.165 -117.989 28.0837 PRESSAVG: 4005200 14.5281 -44.4585 -16.7243 -44.4584 23.2386 57.1748 -16.7243 57.1748 5.28563 GPRESSAVG: 4005200 14.8763 -42.666 -18.2872 -43.3049 23.4471 57.1898 -17.6224 54.163 4.80789 TIMING: 4005200 CPU: 12665, 0.00314733/step Wall: 12665, 0.00314733/step, 0.869713 hours remaining, 238.406250 MB of memory in use. ENERGY: 4005200 3987.1706 20277.9022 14484.6256 242.9490 -203433.4453 2482.0705 0.0000 0.0000 51944.9515 -110013.7760 298.5283 -161958.7274 -109661.7767 298.2855 -1.4149 29.1461 761072.6415 14.3508 14.3771 PRESSURE: 4005400 -148.831 25.2751 108.582 25.2749 83.0558 -17.5448 108.582 -17.5446 -273.682 GPRESSURE: 4005400 -126.25 -108.572 185.503 61.2871 79.7304 48.4005 40.2545 86.052 -202.272 PRESSAVG: 4005400 26.6303 31.044 -35.9512 31.0439 -35.386 18.5932 -35.9512 18.5932 27.7169 GPRESSAVG: 4005400 25.4099 28.4767 -36.6597 31.0476 -35.0146 19.4605 -34.9065 19.5521 28.7633 TIMING: 4005400 CPU: 12665.6, 0.00317535/step Wall: 12665.6, 0.00317534/step, 0.877277 hours remaining, 238.406250 MB of memory in use. ENERGY: 4005400 3982.9255 20507.3822 14356.1334 250.2430 -203449.7784 2634.8806 0.0000 0.0000 51650.4004 -110067.8133 296.8356 -161718.2138 -109725.5503 298.0562 -113.1525 -82.9305 761705.5040 6.3204 6.3862 PRESSURE: 4005600 168.765 154.395 -41.7269 154.395 -46.2023 86.4453 -41.7277 86.4436 -119.092 GPRESSURE: 4005600 128.875 105.294 16.0753 126.901 17.3781 111.216 21.9165 -14.9503 -62.3705 PRESSAVG: 4005600 39.8813 -22.7635 -2.76259 -22.7635 -2.35875 -20.7816 -2.7626 -20.7818 -1.61675 GPRESSAVG: 4005600 39.2026 -21.3523 -1.44822 -23.9654 -2.09714 -21.1386 -5.71505 -21.6934 -0.917413 TIMING: 4005600 CPU: 12666.2, 0.00314246/step Wall: 12666.2, 0.00314247/step, 0.868019 hours remaining, 238.406250 MB of memory in use. ENERGY: 4005600 3992.5518 20318.9944 14461.7893 230.4631 -203435.1431 2535.2307 0.0000 0.0000 51691.3428 -110204.7709 297.0709 -161896.1138 -109841.8024 298.0103 1.1569 27.9608 760639.1759 11.9686 12.0627 PRESSURE: 4005800 151.333 183.247 -1.36357 183.247 32.2936 -30.5197 -1.36396 -30.5189 91.8705 GPRESSURE: 4005800 213.378 -18.5837 65.0309 146.011 54.6844 -95.3889 66.1432 23.9458 96.5064 PRESSAVG: 4005800 12.8924 -25.0997 2.62555 -25.0997 -7.63219 -3.34039 2.62554 -3.34043 5.2288 GPRESSAVG: 4005800 14.1297 -26.8423 2.32746 -22.3289 -7.35419 -2.71957 4.9373 -3.59749 3.46737 TIMING: 4005800 CPU: 12666.8, 0.00315105/step Wall: 12666.8, 0.00315105/step, 0.870214 hours remaining, 238.406250 MB of memory in use. ENERGY: 4005800 3967.7860 20317.6429 14346.3440 234.1134 -204039.1909 2879.0380 0.0000 0.0000 51875.3454 -110418.9212 298.1283 -162294.2666 -110053.9637 297.2834 91.8325 121.5229 761878.4447 3.4963 3.4143 PRESSURE: 4006000 -178.61 89.2467 109.027 89.2459 -497.726 112.279 109.028 112.279 -62.1303 GPRESSURE: 4006000 -221.768 52.4581 116.057 63.453 -402.627 76.6745 112.752 84.1843 -16.1532 PRESSAVG: 4006000 -55.9943 -38.9609 -10.8883 -38.9609 49.0284 -2.45742 -10.8882 -2.45738 -5.44519 GPRESSAVG: 4006000 -55.6054 -38.8836 -11.334 -39.8676 47.3355 -2.67927 -9.194 -2.56786 -4.27382 TIMING: 4006000 CPU: 12667.5, 0.00314436/step Wall: 12667.5, 0.00314436/step, 0.868192 hours remaining, 238.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4006000 3906.6786 20286.8374 14381.7482 251.6230 -203942.4980 2916.6867 0.0000 0.0000 51888.6828 -110310.2413 298.2050 -162198.9240 -109952.5799 297.4756 -246.1556 -213.5162 763955.6686 -4.1370 -4.1813 PRESSURE: 4006200 -147.445 37.1503 214.592 37.1505 -253.358 -78.0599 214.592 -78.0596 -220.546 GPRESSURE: 4006200 -136.803 -17.288 223.35 -80.6455 -244.981 -114.386 95.4732 -94.472 -150.373 PRESSAVG: 4006200 -20.477 -82.7941 -14.2288 -82.7941 21.9242 16.9558 -14.2288 16.9558 -2.22013 GPRESSAVG: 4006200 -21.8653 -82.8648 -14.7093 -82.9813 23.2321 18.2776 -16.7605 16.7405 -2.48447 TIMING: 4006200 CPU: 12668.1, 0.00314206/step Wall: 12668.1, 0.00314206/step, 0.867384 hours remaining, 238.406250 MB of memory in use. ENERGY: 4006200 3940.7909 20464.6885 14416.9817 260.3719 -203542.5434 2676.2247 0.0000 0.0000 51657.8976 -110125.5881 296.8786 -161783.4857 -109764.0945 297.5303 -207.1164 -177.3859 763029.4047 -0.2576 -0.3726 PRESSURE: 4006400 126.807 -6.21135 70.762 -6.21204 58.162 -171.594 70.7624 -171.595 -502.676 GPRESSURE: 4006400 239.897 -84.0953 -12.917 -21.8835 41.2502 -108.175 74.8961 -94.234 -528.862 PRESSAVG: 4006400 87.8265 -23.8682 9.89659 -23.8682 -96.1601 -41.4452 9.89662 -41.4452 -10.5128 GPRESSAVG: 4006400 89.7585 -23.9588 10.4486 -23.6069 -97.2017 -43.4448 11.6423 -39.5639 -11.2726 TIMING: 4006400 CPU: 12668.7, 0.00316117/step Wall: 12668.7, 0.00316117/step, 0.872482 hours remaining, 238.406250 MB of memory in use. ENERGY: 4006400 3899.7516 20429.1816 14529.4136 230.7711 -203507.9185 2525.9520 0.0000 0.0000 51833.1258 -110059.7228 297.8857 -161892.8486 -109707.6124 297.7505 -105.9023 -82.5715 762904.8689 -6.2821 -6.2386 PRESSURE: 4006600 34.6428 27.346 65.5155 27.3461 -56.7865 -163.128 65.5149 -163.126 170.801 GPRESSURE: 4006600 86.3589 -50.0198 47.5081 107.083 -51.7436 -99.5659 86.9847 -234.515 207.335 PRESSAVG: 4006600 30.8038 -9.80903 23.5154 -9.80911 -23.8792 -35.1933 23.5154 -35.1933 16.1396 GPRESSAVG: 4006600 29.2012 -10.9618 22.3849 -9.20668 -22.7053 -36.3891 24.3612 -34.9322 16.6473 TIMING: 4006600 CPU: 12669.4, 0.00314001/step Wall: 12669.4, 0.00314001/step, 0.866469 hours remaining, 238.406250 MB of memory in use. ENERGY: 4006600 4005.6187 20511.8764 14473.4703 248.8629 -203385.6065 2453.2444 0.0000 0.0000 51704.1726 -109988.3613 297.1446 -161692.5338 -109627.8304 297.7976 49.5523 80.6502 762173.4335 7.6881 7.7144 PRESSURE: 4006800 523.887 -4.39262 103.471 -4.39242 -260.917 -113.775 103.471 -113.775 -53.3826 GPRESSURE: 4006800 460.5 33.8776 53.145 -22.4414 -103.698 -81.9184 106.833 -217.803 -42.4805 PRESSAVG: 4006800 -3.02639 -11.5229 -7.66406 -11.5229 8.95409 6.03007 -7.66409 6.03014 -13.817 GPRESSAVG: 4006800 -3.45376 -8.07584 -6.41019 -12.8713 8.36845 6.5869 -10.0737 7.42833 -13.119 TIMING: 4006800 CPU: 12670, 0.00316665/step Wall: 12670, 0.00316665/step, 0.873643 hours remaining, 238.406250 MB of memory in use. ENERGY: 4006800 4061.9320 20428.3355 14436.8971 228.9718 -203572.6537 2717.7931 0.0000 0.0000 51777.9047 -109920.8195 297.5683 -161698.7242 -109562.2052 297.9717 69.8624 104.7739 763235.0444 -2.6298 -2.7348 PRESSURE: 4007000 12.2146 -76.7099 -58.5638 -76.711 -106.774 -63.8325 -58.5641 -63.8336 59.2326 GPRESSURE: 4007000 -50.2188 -134.89 -153.525 -167.984 -24.6079 -11.4301 -20.4467 -68.2621 126.505 PRESSAVG: 4007000 69.3948 -40.5705 -18.1293 -40.5707 -52.4659 -29.5463 -18.1293 -29.5463 1.27196 GPRESSAVG: 4007000 69.9191 -41.7344 -19.519 -41.3297 -52.2617 -27.5199 -17.1201 -33.6005 1.1246 TIMING: 4007000 CPU: 12670.6, 0.00315773/step Wall: 12670.6, 0.00315773/step, 0.871007 hours remaining, 238.406250 MB of memory in use. ENERGY: 4007000 4009.7511 20264.1557 14485.2017 248.7571 -203503.1817 2487.2065 0.0000 0.0000 52063.8979 -109944.2117 299.2119 -162008.1096 -109576.5910 297.9294 -11.7756 17.2261 762890.4879 6.0670 6.2606 PRESSURE: 4007200 180.929 131.786 -12.804 131.785 -15.0744 -116.117 -12.8046 -116.117 -330.025 GPRESSURE: 4007200 227.812 50.8034 -23.2268 238.503 2.64243 -33.0306 101.646 -149.421 -318.838 PRESSAVG: 4007200 26.0328 -22.7786 -39.7484 -22.7786 -47.0927 -64.8273 -39.7484 -64.8273 18.9626 GPRESSAVG: 4007200 26.3035 -24.3828 -38.5068 -20.936 -48.013 -65.7642 -42.2465 -62.1937 19.6075 TIMING: 4007200 CPU: 12671.3, 0.00318158/step Wall: 12671.3, 0.00318158/step, 0.877408 hours remaining, 238.406250 MB of memory in use. ENERGY: 4007200 3999.6657 20507.7618 14453.5194 237.2676 -203861.7276 2970.0934 0.0000 0.0000 51984.2593 -109709.1605 298.7543 -161693.4199 -109346.0034 298.3617 -54.7236 -29.4611 761686.4373 -0.6991 -0.7007 PRESSURE: 4007400 173.277 50.1262 121.536 50.1266 -80.0508 65.3119 121.537 65.3126 90.1939 GPRESSURE: 4007400 119.164 117.068 103.462 126.651 41.5588 -29.9239 -43.4897 25.7766 124.806 PRESSAVG: 4007400 51.9197 -27.3387 -28.7456 -27.3387 -33.5628 -22.9679 -28.7456 -22.9679 -2.71071 GPRESSAVG: 4007400 51.7162 -26.0398 -27.2725 -26.3194 -31.927 -22.173 -28.0137 -25.3299 -3.92825 TIMING: 4007400 CPU: 12671.9, 0.00318727/step Wall: 12671.9, 0.00318727/step, 0.878802 hours remaining, 238.406250 MB of memory in use. ENERGY: 4007400 3926.8500 20470.5046 14532.1686 249.8516 -204025.1575 2902.1895 0.0000 0.0000 52026.1178 -109917.4755 298.9948 -161943.5932 -109555.4563 298.4798 61.1400 95.1763 761320.6728 5.2154 5.2870 PRESSURE: 4007600 -359.729 -67.7917 75.7975 -67.7929 -285.308 -120.707 75.7974 -120.707 -309.266 GPRESSURE: 4007600 -357.736 -97.4018 -30.9683 -163.869 -214.086 -88.379 -18.9283 -123.952 -297.562 PRESSAVG: 4007600 72.8905 -28.6315 -29.8455 -28.6314 -34.2378 -12.3804 -29.8454 -12.3805 12.4273 GPRESSAVG: 4007600 72.68 -30.7284 -33.0127 -30.1181 -34.4008 -12.1502 -30.9554 -11.1226 12.6563 TIMING: 4007600 CPU: 12672.5, 0.00317007/step Wall: 12672.5, 0.00317007/step, 0.873883 hours remaining, 238.406250 MB of memory in use. ENERGY: 4007600 4012.2568 20557.0344 14426.4143 228.0168 -203317.6127 2403.0013 0.0000 0.0000 51754.3528 -109936.5363 297.4330 -161690.8891 -109582.0068 298.1513 -318.1010 -289.7945 762254.8654 17.0267 16.9785 PRESSURE: 4007800 229.022 -129.71 245.388 -129.709 356.409 -317.69 245.389 -317.689 133.969 GPRESSURE: 4007800 306.59 -75.8275 141.161 -83.92 341.299 -277.819 356.082 -180.822 160.212 PRESSAVG: 4007800 -14.4451 -51.0287 -27.0721 -51.0288 67.5947 -13.4095 -27.0721 -13.4096 -3.80425 GPRESSAVG: 4007800 -14.2063 -49.5065 -25.805 -52.4297 67.9412 -12.7981 -22.9989 -13.5982 -4.86148 TIMING: 4007800 CPU: 12673.2, 0.00316831/step Wall: 12673.2, 0.00316831/step, 0.873221 hours remaining, 238.406250 MB of memory in use. ENERGY: 4007800 3943.2952 20412.7200 14493.9858 260.3301 -203875.5121 2896.0775 0.0000 0.0000 52006.0678 -109863.0358 298.8796 -161869.1036 -109494.5120 298.3902 239.8003 269.3667 760561.0341 16.4485 16.2912 PRESSURE: 4008000 125.524 -234.185 -13.0262 -234.186 -36.2061 -18.5486 -13.0258 -18.5487 32.8403 GPRESSURE: 4008000 62.4101 -185.507 -6.3486 -196.417 36.603 10.087 33.0406 85.7273 79.617 PRESSAVG: 4008000 15.7979 -13.7792 -36.235 -13.7792 29.9702 3.46492 -36.235 3.46488 25.5126 GPRESSAVG: 4008000 16.9736 -12.7646 -34.9598 -12.7323 28.7411 1.9801 -37.4463 5.61244 25.4961 TIMING: 4008000 CPU: 12673.8, 0.0031645/step Wall: 12673.8, 0.0031645/step, 0.871997 hours remaining, 238.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4008000 3918.1413 20483.9188 14450.1323 230.4842 -203571.5623 2678.9894 0.0000 0.0000 51958.8648 -109851.0316 298.6083 -161809.8964 -109486.6966 298.6158 40.7193 59.5433 759631.3137 23.7602 23.7369 PRESSURE: 4008200 66.7388 69.6019 251.626 69.6021 -152.054 -44.9356 251.626 -44.9356 -180.211 GPRESSURE: 4008200 107.145 60.5109 212.683 21.457 -154.389 -92.5831 272.218 -45.9717 -116.984 PRESSAVG: 4008200 -0.403995 -29.2111 -42.1192 -29.2111 1.63157 6.6134 -42.1192 6.61341 28.9273 GPRESSAVG: 4008200 -1.74058 -30.7969 -42.2962 -29.8742 2.20431 6.38301 -42.7412 6.60617 29.8875 TIMING: 4008200 CPU: 12674.4, 0.00319494/step Wall: 12674.4, 0.00319494/step, 0.880206 hours remaining, 238.406250 MB of memory in use. ENERGY: 4008200 4040.1651 20344.7987 14495.6683 242.1396 -203617.5967 2621.6413 0.0000 0.0000 51914.4905 -109958.6932 298.3533 -161873.1837 -109610.0624 298.0273 -88.5087 -54.7425 761385.6591 10.0516 10.1171 LDB: ============= START OF LOAD BALANCING ============== 12686.8 LDB: ============== END OF LOAD BALANCING =============== 12686.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12686.8 LDB: ============= START OF LOAD BALANCING ============== 12687.2 LDB: Largest compute 7032 load 0.034079 is 17.4% of average load 0.196063 LDB: Average compute 0.004382 is 2.2% of average load 0.196063 LDB: TIME 12687.2 LOAD: AVG 0.196063 MAX 0.217839 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.266 MB LDB: TIME 12687.2 LOAD: AVG 0.196063 MAX 0.217839 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.266 MB LDB: TIME 12687.2 LOAD: AVG 0.196063 MAX 0.217839 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.266 MB LDB: ============== END OF LOAD BALANCING =============== 12687.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12687.2 PRESSURE: 4008400 273.364 8.78207 -13.2502 8.78064 113.59 -280.923 -13.25 -280.924 13.0413 GPRESSURE: 4008400 243.101 5.65692 65.8162 99.4661 176.741 -249.782 -70.0608 -262.369 49.1012 PRESSAVG: 4008400 38.2254 -23.1732 9.11787 -23.1732 -35.4163 -46.1601 9.11787 -46.1601 -1.64598 GPRESSAVG: 4008400 37.9809 -21.3019 9.37336 -21.6714 -35.3602 -44.893 8.84305 -47.9311 -1.83866 TIMING: 4008400 CPU: 12675.1, 0.00325901/step Wall: 12675.1, 0.00325901/step, 0.897678 hours remaining, 238.550781 MB of memory in use. ENERGY: 4008400 3909.2412 20469.5130 14484.0669 248.5425 -203768.0031 2732.5549 0.0000 0.0000 51990.9892 -109933.0954 298.7929 -161924.0846 -109581.2897 297.9332 133.3319 156.3143 760944.8238 0.3877 0.2607 PRESSURE: 4008600 28.0352 -135.646 -265.098 -135.646 -33.7637 -63.063 -265.098 -63.0628 207.467 GPRESSURE: 4008600 84.4392 -113.207 -252.8 -49.659 -53.4062 19.0491 -94.4685 57.677 236.782 PRESSAVG: 4008600 -3.57433 -28.4652 -24.6872 -28.4651 -51.9816 -14.2302 -24.6871 -14.2302 16.073 GPRESSAVG: 4008600 -2.89459 -28.9781 -24.4588 -27.9647 -51.7705 -15.3557 -25.5373 -12.792 14.8637 TIMING: 4008600 CPU: 12675.7, 0.0031878/step Wall: 12675.7, 0.0031878/step, 0.877883 hours remaining, 238.550781 MB of memory in use. ENERGY: 4008600 3896.9635 20617.7537 14464.6601 222.5742 -204180.1451 3031.3743 0.0000 0.0000 52190.1787 -109756.6406 299.9377 -161946.8194 -109404.3073 298.3341 67.2461 89.2715 761084.2698 -13.1610 -13.2672 PRESSURE: 4008800 -130.696 -147.204 -32.1359 -147.203 -102.263 99.0618 -32.1357 99.0617 -65.1052 GPRESSURE: 4008800 -117.754 -29.5516 -92.7085 -127.094 -86.2977 41.1695 -116.183 51.2751 9.85043 PRESSAVG: 4008800 25.8846 -44.6857 -16.273 -44.6857 -14.0734 86.771 -16.273 86.7709 18.9622 GPRESSAVG: 4008800 24.2952 -44.9216 -15.9583 -46.6291 -14.515 88.4231 -16.3781 86.8331 20.586 TIMING: 4008800 CPU: 12676.4, 0.00316809/step Wall: 12676.4, 0.00316809/step, 0.87228 hours remaining, 238.550781 MB of memory in use. ENERGY: 4008800 3951.0662 20476.4038 14411.7187 235.0533 -203240.8565 2537.8929 0.0000 0.0000 51771.4720 -109857.2495 297.5314 -161628.7215 -109498.8826 298.3199 -99.3547 -64.7338 762227.2154 10.2578 10.1221 PRESSURE: 4009000 -36.7119 -64.0358 3.78425 -64.036 194.275 -62.9628 3.78416 -62.9625 326.333 GPRESSURE: 4009000 70.4173 44.481 28.9627 -48.6014 230.955 -35.9508 -206.754 -36.796 272.671 PRESSAVG: 4009000 16.5351 -67.9055 -25.9322 -67.9055 -6.62842 60.7634 -25.9322 60.7635 11.88 GPRESSAVG: 4009000 18.3704 -69.4815 -26.2845 -68.2983 -6.84136 59.2984 -24.1992 60.2156 10.537 TIMING: 4009000 CPU: 12677, 0.00315867/step Wall: 12677, 0.00315867/step, 0.869512 hours remaining, 238.550781 MB of memory in use. ENERGY: 4009000 4012.5494 20429.9110 14401.7050 242.0659 -203611.0770 2744.7558 0.0000 0.0000 51940.2302 -109839.8597 298.5012 -161780.0899 -109487.4874 298.3214 161.2989 191.3480 762523.1060 7.2622 7.3553 PRESSURE: 4009200 -74.957 -136.508 -254.05 -136.508 -336.025 16.056 -254.052 16.0554 84.6266 GPRESSURE: 4009200 -64.0606 -117.309 -278.631 58.0402 -279.527 -31.409 -323.882 -136.481 121.243 PRESSAVG: 4009200 20.0965 -24.4258 -66.7172 -24.4258 -40.2771 -0.314949 -66.7172 -0.314888 15.0527 GPRESSAVG: 4009200 19.6941 -22.5312 -67.5193 -23.5631 -40.9526 -0.45286 -68.4275 -2.01828 15.9623 TIMING: 4009200 CPU: 12677.6, 0.00314017/step Wall: 12677.6, 0.00314017/step, 0.864246 hours remaining, 238.550781 MB of memory in use. ENERGY: 4009200 3999.7979 20433.4184 14394.1523 226.7363 -203278.6367 2493.7186 0.0000 0.0000 51769.1444 -109961.6688 297.5180 -161730.8132 -109599.6285 297.6105 -108.7852 -74.1147 763395.0729 -1.7093 -1.7654 PRESSURE: 4009400 -196.177 -61.1608 0.778087 -61.161 -349.49 -120.78 0.77835 -120.781 -110.759 GPRESSURE: 4009400 -201.334 -91.0659 5.47452 8.30342 -285.781 -68.8999 -106.864 -64.7187 -79.9839 PRESSAVG: 4009400 51.0878 -37.4111 -82.9326 -37.4111 -37.0059 9.59782 -82.9327 9.59777 -5.73309 GPRESSAVG: 4009400 49.9319 -37.5935 -83.6329 -39.5812 -35.6703 8.64115 -82.8449 10.3509 -6.19478 TIMING: 4009400 CPU: 12678.3, 0.00316795/step Wall: 12678.3, 0.00316795/step, 0.871715 hours remaining, 238.550781 MB of memory in use. ENERGY: 4009400 3997.8116 20454.5868 14397.3597 256.2515 -202958.6552 2298.1043 0.0000 0.0000 51719.9669 -109834.5744 297.2354 -161554.5413 -109488.6273 297.9329 -218.8084 -189.0328 764021.0846 2.7829 2.6890 PRESSURE: 4009600 -109.905 39.5881 110.413 39.5886 -257.042 85.4392 110.413 85.4381 -149.589 GPRESSURE: 4009600 41.3751 63.9439 140.386 -33.8271 -280.188 67.8891 52.0752 123.115 -202.844 PRESSAVG: 4009600 71.7136 -4.87523 -3.98939 -4.87527 -99.5037 98.9493 -3.9894 98.9493 19.9057 GPRESSAVG: 4009600 72.8553 -6.75836 -3.61004 -2.1143 -99.9021 100.907 -3.24329 97.7662 19.1501 TIMING: 4009600 CPU: 12678.9, 0.00318449/step Wall: 12678.9, 0.00318449/step, 0.876089 hours remaining, 238.550781 MB of memory in use. ENERGY: 4009600 3951.5147 20599.7700 14438.8782 234.5852 -203940.8633 2848.9068 0.0000 0.0000 52146.3525 -109720.8559 299.6858 -161867.2084 -109365.4793 298.4448 -172.1787 -147.2189 762906.4522 -2.6281 -2.6322 PRESSURE: 4009800 120.474 87.9711 -58.0485 87.9709 -204.062 77.9277 -58.0486 77.9275 347.479 GPRESSURE: 4009800 172.387 105.982 -4.03702 58.7019 -82.14 119.484 -117.479 76.1197 272.87 PRESSAVG: 4009800 59.4861 -2.13477 3.20759 -2.13474 -61.6231 -10.1191 3.2076 -10.1191 -16.8525 GPRESSAVG: 4009800 58.955 -1.77575 3.17546 -5.5932 -61.4808 -11.3424 3.30714 -8.39827 -16.3302 TIMING: 4009800 CPU: 12679.5, 0.00315712/step Wall: 12679.5, 0.00315712/step, 0.868384 hours remaining, 238.550781 MB of memory in use. ENERGY: 4009800 3990.0936 20619.2340 14435.1940 239.3835 -203303.1680 2404.0291 0.0000 0.0000 52094.6402 -109520.5937 299.3886 -161615.2339 -109156.5471 299.1482 87.9634 121.0389 762049.0638 -6.3298 -6.2853 PRESSURE: 4010000 -76.5124 -37.2463 -168.213 -37.2466 122.409 -41.3874 -168.213 -41.3883 500.262 GPRESSURE: 4010000 -12.7431 15.6486 -199.101 -41.1732 133.286 53.8935 -155.619 -85.936 478.267 PRESSAVG: 4010000 42.2487 24.1095 -25.6664 24.1095 -10.0599 6.90777 -25.6663 6.90785 17.39 GPRESSAVG: 4010000 43.3857 24.7593 -25.0226 24.0371 -10.4872 7.45964 -26.0581 6.25259 16.3372 TIMING: 4010000 CPU: 12680.2, 0.0031674/step Wall: 12680.2, 0.0031674/step, 0.871034 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4010000 4024.3162 20604.2352 14419.0222 243.5791 -203723.3184 2888.5431 0.0000 0.0000 51864.1667 -109679.4559 298.0641 -161543.6225 -109324.4119 299.4302 182.0527 199.6036 762481.9248 16.5262 16.4119 PRESSURE: 4010200 257.287 -231.123 -285.424 -231.123 -308.758 174.891 -285.423 174.89 -73.9054 GPRESSURE: 4010200 186.169 -204.713 -373.945 -235.792 -231.613 248.255 -328.934 8.21204 -4.72995 PRESSAVG: 4010200 16.0936 -18.2365 -60.3606 -18.2365 -43.6444 -18.0688 -60.3607 -18.0689 -25.2658 GPRESSAVG: 4010200 15.2087 -18.4056 -61.0181 -15.4087 -43.6439 -17.6218 -60.5047 -19.0183 -24.4352 TIMING: 4010200 CPU: 12680.8, 0.00316093/step Wall: 12680.8, 0.00316093/step, 0.869079 hours remaining, 238.550781 MB of memory in use. ENERGY: 4010200 4065.2944 20710.4715 14421.8068 229.9608 -203423.9677 2633.5570 0.0000 0.0000 51991.9389 -109370.9383 298.7984 -161362.8773 -109010.1184 299.3806 -41.7920 -16.7245 762109.5252 -17.6055 -17.6234 PRESSURE: 4010400 -218.684 -7.3058 72.7674 -7.30591 -190.727 -59.6743 72.7677 -59.6735 -186.19 GPRESSURE: 4010400 -186.051 71.7149 93.4776 -35.7441 -135.716 -118.085 176.146 -128.398 -184.508 PRESSAVG: 4010400 5.42766 -66.4634 -40.4423 -66.4634 -10.3548 -41.5325 -40.4423 -41.5325 11.5421 GPRESSAVG: 4010400 4.34165 -65.5987 -40.3378 -68.7358 -9.49823 -41.4083 -40.8614 -42.2589 11.3329 TIMING: 4010400 CPU: 12681.4, 0.00315885/step Wall: 12681.4, 0.00315885/step, 0.868333 hours remaining, 238.550781 MB of memory in use. ENERGY: 4010400 4029.3542 20538.4371 14429.4409 249.0500 -203270.2718 2498.8080 0.0000 0.0000 52095.9063 -109429.2752 299.3959 -161525.1816 -109064.1085 299.8773 -198.5333 -168.7582 761949.6086 2.2050 2.0588 PRESSURE: 4010600 381.508 73.295 -74.4014 73.2938 -70.7381 90.3682 -74.402 90.3692 24.6369 GPRESSURE: 4010600 411.503 66.8554 -66.4829 22.5263 -88.3932 9.07394 -85.5213 101.885 114.384 PRESSAVG: 4010600 17.1466 -24.1693 13.4691 -24.1693 -16.1055 51.1546 13.4691 51.1546 -0.965796 GPRESSAVG: 4010600 16.3618 -26.7907 13.5848 -24.5305 -16.8839 50.7367 14.4121 54.3618 0.681782 TIMING: 4010600 CPU: 12682.1, 0.00317325/step Wall: 12682.1, 0.00317325/step, 0.872116 hours remaining, 238.550781 MB of memory in use. ENERGY: 4010600 3971.5996 20533.2306 14412.6308 227.6115 -203195.7048 2535.5410 0.0000 0.0000 52290.7653 -109224.3260 300.5157 -161515.0913 -108860.8658 299.4593 111.8022 145.8312 761072.3511 0.0251 0.0533 PRESSURE: 4010800 152.426 121.689 40.6097 121.687 -186.137 213.94 40.6094 213.941 20.2044 GPRESSURE: 4010800 209.118 113.427 74.7579 104.763 -131.646 168.456 -64.4831 297.409 0.644219 PRESSAVG: 4010800 37.4113 -24.404 27.6066 -24.404 -25.6091 9.53278 27.6067 9.53275 5.37657 GPRESSAVG: 4010800 39.5788 -23.1646 28.4266 -20.8706 -26.2154 9.65705 26.5332 8.48885 3.43002 TIMING: 4010800 CPU: 12682.7, 0.00317938/step Wall: 12682.7, 0.00317938/step, 0.873624 hours remaining, 238.550781 MB of memory in use. ENERGY: 4010800 4017.2933 20457.0112 14473.1289 225.1619 -203428.7474 2746.6063 0.0000 0.0000 52338.8705 -109170.6753 300.7922 -161509.5458 -108805.3176 300.0124 -4.5022 26.0388 761639.6631 5.7262 5.5978 PRESSURE: 4011000 281.269 135.223 -57.6906 135.223 -233.16 -12.7022 -57.6906 -12.7031 440.261 GPRESSURE: 4011000 311.213 55.715 -17.105 16.7785 -135.511 -43.7265 -118.843 -13.6258 408.071 PRESSAVG: 4011000 14.8595 -45.9173 12.062 -45.9173 8.23604 17.714 12.062 17.7139 -3.05839 GPRESSAVG: 4011000 15.59 -44.8356 11.5642 -49.7079 7.97092 17.8399 14.2095 16.2803 -3.14075 TIMING: 4011000 CPU: 12683.3, 0.0031667/step Wall: 12683.3, 0.0031667/step, 0.869962 hours remaining, 238.550781 MB of memory in use. ENERGY: 4011000 3956.2419 20571.7002 14409.2841 252.8128 -203430.6330 2621.5689 0.0000 0.0000 52128.2592 -109490.7660 299.5818 -161619.0252 -109131.5295 299.6924 162.7902 194.5908 759977.5534 6.6790 6.8067 PRESSURE: 4011200 66.5995 56.5767 -8.68947 56.5768 -25.2034 63.594 -8.68943 63.5943 -270.837 GPRESSURE: 4011200 -6.19878 53.9403 -38.9709 55.8731 0.29828 146.112 -40.65 110.637 -150.162 PRESSAVG: 4011200 35.2182 -6.85919 -59.2941 -6.85913 -4.23973 -32.8965 -59.2941 -32.8966 -1.1595 GPRESSAVG: 4011200 33.1604 -7.88982 -59.6082 -4.97187 -3.09118 -33.6063 -60.4392 -33.028 -0.845009 TIMING: 4011200 CPU: 12684, 0.00317209/step Wall: 12684, 0.00317209/step, 0.871267 hours remaining, 238.550781 MB of memory in use. ENERGY: 4011200 4097.7044 20590.6639 14447.7704 253.4052 -203342.6186 2610.5260 0.0000 0.0000 51918.4482 -109424.1006 298.3760 -161342.5488 -109061.9344 299.3642 -76.4803 -52.0207 760747.9932 9.9396 9.7414 PRESSURE: 4011400 40.1301 -21.9179 -199.423 -21.9186 -173.819 -162.035 -199.424 -162.036 -174.894 GPRESSURE: 4011400 135.549 33.5361 -166.95 -86.6616 -143.198 -118.294 -270.206 27.2641 -210.146 PRESSAVG: 4011400 35.795 5.9108 -41.9844 5.91085 -23.8131 21.1395 -41.9844 21.1394 7.35833 GPRESSAVG: 4011400 36.3139 6.42748 -42.5066 5.18765 -24.5032 21.3832 -43.0108 23.001 7.76832 TIMING: 4011400 CPU: 12684.6, 0.00317314/step Wall: 12684.6, 0.00317314/step, 0.87138 hours remaining, 238.550781 MB of memory in use. ENERGY: 4011400 3996.9004 20562.4337 14394.8198 256.4825 -202883.2178 2246.7666 0.0000 0.0000 52047.1084 -109378.7066 299.1154 -161425.8149 -109012.2527 299.4316 -102.8608 -72.5986 761609.8251 6.4468 6.5264 PRESSURE: 4011600 -326.148 9.95052 -235.264 9.94996 -297.442 -63.2499 -235.264 -63.2504 -308.925 GPRESSURE: 4011600 -339.549 -102.846 -293.607 33.615 -268.558 -115.052 -212.888 -33.3598 -245.849 PRESSAVG: 4011600 -24.8334 1.6923 -34.0455 1.69228 9.03642 13.2315 -34.0455 13.2315 1.86188 GPRESSAVG: 4011600 -24.928 0.458011 -33.4511 4.60081 9.73037 12.9494 -32.8975 13.8265 0.904041 TIMING: 4011600 CPU: 12685.2, 0.00316956/step Wall: 12685.2, 0.00316956/step, 0.870222 hours remaining, 238.550781 MB of memory in use. ENERGY: 4011600 3957.3495 20478.4395 14361.8502 251.2877 -202799.5973 2212.4932 0.0000 0.0000 52244.0345 -109294.1426 300.2472 -161538.1771 -108927.8578 299.3046 -310.8385 -284.6522 762033.6832 -4.6450 -4.7645 PRESSURE: 4011800 118.516 154.611 149.93 154.612 217.005 -86.3762 149.93 -86.3756 193.381 GPRESSURE: 4011800 176.741 100.482 216.805 110.94 183.768 -39.5228 150.164 -200.798 271.001 PRESSAVG: 4011800 -54.6462 6.78858 -18.8463 6.78859 34.868 -11.8917 -18.8463 -11.8917 -1.34151 GPRESSAVG: 4011800 -54.4516 7.787 -19.5252 3.70837 33.9014 -10.713 -17.9834 -13.0853 -0.3851 TIMING: 4011800 CPU: 12685.9, 0.0031863/step Wall: 12685.9, 0.0031863/step, 0.874639 hours remaining, 238.550781 MB of memory in use. ENERGY: 4011800 4064.5607 20474.9928 14347.0737 240.8018 -203711.7688 2884.6842 0.0000 0.0000 52231.9811 -109467.6746 300.1779 -161699.6556 -109099.0169 299.8129 176.3008 210.5032 760346.7811 -7.0399 -6.9784 PRESSURE: 4012000 -401.614 9.09766 -160.566 9.09771 -185.231 -22.2355 -160.565 -22.2353 -342.206 GPRESSURE: 4012000 -417.956 115.23 -155.808 100.086 -105.999 -114.284 -128.675 -60.7974 -307.119 PRESSAVG: 4012000 -1.90019 15.0693 21.7026 15.0693 22.2177 -73.7237 21.7027 -73.7238 3.17634 GPRESSAVG: 4012000 -1.61954 16.364 23.5372 14.9861 23.5493 -76.7517 17.1628 -72.3778 1.66033 TIMING: 4012000 CPU: 12686.5, 0.00318446/step Wall: 12686.5, 0.00318446/step, 0.873956 hours remaining, 238.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4012000 4032.7826 20644.7379 14447.5100 263.5436 -203207.3060 2639.8242 0.0000 0.0000 51863.2226 -109315.6851 298.0587 -161178.9077 -108958.3754 299.8393 -309.6839 -277.0245 761309.9768 7.8313 7.8634 PRESSURE: 4012200 35.4962 -132.599 -28.5481 -132.6 -376.277 -393.596 -28.5488 -393.597 -96.2664 GPRESSURE: 4012200 -54.1045 -84.835 -47.948 -97.9133 -217.247 -383.803 67.1959 -376.821 -58.2748 PRESSAVG: 4012200 52.8271 -13.1011 38.2333 -13.1011 -14.3781 -22.0208 38.2332 -22.0208 -7.74026 GPRESSAVG: 4012200 52.0638 -14.4436 36.03 -11.4142 -14.1656 -19.9727 42.7038 -24.4292 -6.96481 TIMING: 4012200 CPU: 12687.1, 0.00316351/step Wall: 12687.1, 0.00316351/step, 0.868032 hours remaining, 238.550781 MB of memory in use. ENERGY: 4012200 3909.1237 20634.4033 14494.2207 238.4362 -203495.3485 2681.9367 0.0000 0.0000 52444.7150 -109092.5129 301.4005 -161537.2279 -108717.2064 299.6203 -145.6822 -109.8753 760334.7245 10.2362 10.3111 LDB: ============= START OF LOAD BALANCING ============== 12699.5 LDB: ============== END OF LOAD BALANCING =============== 12699.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12699.5 LDB: ============= START OF LOAD BALANCING ============== 12699.9 LDB: Largest compute 7068 load 0.035144 is 17.9% of average load 0.196141 LDB: Average compute 0.004404 is 2.2% of average load 0.196141 LDB: TIME 12699.9 LOAD: AVG 0.196141 MAX 0.217605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 12699.9 LOAD: AVG 0.196141 MAX 0.217605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 12699.9 LOAD: AVG 0.196141 MAX 0.217605 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 12699.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12699.9 PRESSURE: 4012400 232.105 -116.955 102.3 -116.954 70.433 -71.3678 102.3 -71.368 -58.5008 GPRESSURE: 4012400 293.992 -119.564 112.837 -110.333 128.037 -36.1812 -22.1049 -72.588 -93.577 PRESSAVG: 4012400 14.3175 -1.7008 -2.4071 -1.70081 -18.1011 -4.07703 -2.40715 -4.077 1.61309 GPRESSAVG: 4012400 15.7361 0.259516 -2.99227 -2.36498 -19.4607 -2.8132 -4.34266 -4.80146 2.10163 TIMING: 4012400 CPU: 12687.8, 0.00324936/step Wall: 12687.8, 0.00324936/step, 0.891407 hours remaining, 237.128906 MB of memory in use. ENERGY: 4012400 4038.7254 20714.1863 14456.2723 245.7638 -203115.7922 2511.5063 0.0000 0.0000 52367.1505 -108782.1876 300.9547 -161149.3380 -108414.3595 300.8497 81.3458 109.4842 762544.3252 -0.7235 -0.5410 PRESSURE: 4012600 -218.866 42.638 48.9395 42.6373 -365.158 144.031 48.9391 144.031 -206.727 GPRESSURE: 4012600 -145.492 23.9988 -14.6183 -9.38167 -285.598 152.334 31.9257 70.4277 -266.224 PRESSAVG: 4012600 28.1889 -13.1546 -17.2207 -13.1546 -33.0388 9.22289 -17.2208 9.22291 -30.7456 GPRESSAVG: 4012600 27.6206 -15.6872 -17.0157 -10.5525 -32.3382 7.02248 -16.3264 10.9852 -30.7849 TIMING: 4012600 CPU: 12688.4, 0.00317728/step Wall: 12688.4, 0.00317728/step, 0.871456 hours remaining, 237.128906 MB of memory in use. ENERGY: 4012600 3977.7527 20588.5627 14495.0945 238.0498 -202979.9726 2537.8777 0.0000 0.0000 52385.8139 -108756.8213 301.0620 -161142.6352 -108401.0718 300.9557 -263.5835 -232.4379 763089.8364 -11.8652 -11.8342 PRESSURE: 4012800 -9.35144 -8.354 -125.43 -8.35446 355.317 70.783 -125.43 70.7825 -3.48084 GPRESSURE: 4012800 31.0255 -16.5889 -124.323 33.9109 457.086 45.0183 -153.338 -23.8055 -65.1033 PRESSAVG: 4012800 7.80364 -10.0264 -18.2626 -10.0264 -37.8839 32.9713 -18.2626 32.9713 -6.48494 GPRESSAVG: 4012800 8.15276 -5.72294 -16.8004 -13.3628 -38.4821 34.778 -18.9425 34.2981 -6.32218 TIMING: 4012800 CPU: 12689.1, 0.0031744/step Wall: 12689.1, 0.00317439/step, 0.87049 hours remaining, 237.128906 MB of memory in use. ENERGY: 4012800 4105.7542 20647.8157 14411.0551 244.3456 -203727.1456 2815.1847 0.0000 0.0000 52575.5458 -108927.4445 302.1524 -161502.9903 -108561.3828 301.0168 114.1615 141.0026 761247.4298 -12.1884 -12.2172 PRESSURE: 4013000 71.7373 90.8266 -132.819 90.8271 -32.1499 -1.48044 -132.819 -1.48144 50.0523 GPRESSURE: 4013000 87.7518 112.633 -182.765 99.379 22.9588 73.1319 -184.933 99.6768 95.345 PRESSAVG: 4013000 41.9251 -23.24 -36.727 -23.24 -8.15321 11.1342 -36.727 11.1343 -6.22584 GPRESSAVG: 4013000 41.7502 -26.1023 -39.3035 -22.7354 -8.15392 9.49413 -36.1146 9.78929 -5.89236 TIMING: 4013000 CPU: 12689.7, 0.00315773/step Wall: 12689.7, 0.00315773/step, 0.865745 hours remaining, 237.128906 MB of memory in use. ENERGY: 4013000 4018.3941 20615.2724 14475.9406 231.5706 -203138.5988 2646.4483 0.0000 0.0000 52155.3561 -108995.6167 299.7375 -161150.9728 -108647.3154 300.7453 29.8799 68.6852 762624.9991 9.1820 9.2347 PRESSURE: 4013200 -159.739 126.596 -52.503 126.596 -385.687 -138.642 -52.5033 -138.643 -77.1933 GPRESSURE: 4013200 -45.3094 -153.639 -11.1889 146.714 -379.673 -88.9523 -65.168 -143.017 -98.7238 PRESSAVG: 4013200 10.9043 4.88887 23.9521 4.88896 8.26673 -37.6489 23.9521 -37.6488 -11.1053 GPRESSAVG: 4013200 11.5021 5.84527 23.8379 4.39411 7.84281 -37.8485 24.4664 -37.4917 -10.6171 TIMING: 4013200 CPU: 12690.3, 0.00315167/step Wall: 12690.3, 0.00315167/step, 0.863907 hours remaining, 237.128906 MB of memory in use. ENERGY: 4013200 3985.1489 20578.0622 14419.3193 245.9915 -203388.6798 2646.2263 0.0000 0.0000 52579.9434 -108933.9882 302.1777 -161513.9316 -108567.2499 300.9925 -207.5399 -174.5688 760833.9149 2.6886 2.9093 PRESSURE: 4013400 -191.333 -128.273 136.826 -128.272 -2.61887 284.969 136.825 284.968 -139.786 GPRESSURE: 4013400 -63.3727 4.28511 165.643 -80.8645 -16.2485 211.21 9.25891 257.891 -170.308 PRESSAVG: 4013400 8.10882 -46.1518 36.528 -46.1517 32.7805 71.877 36.528 71.877 -16.3337 GPRESSAVG: 4013400 7.0154 -48.4458 37.5006 -45.6248 34.2159 74.3419 36.3998 70.6463 -16.8595 TIMING: 4013400 CPU: 12691, 0.00315016/step Wall: 12691, 0.00315017/step, 0.86332 hours remaining, 237.128906 MB of memory in use. ENERGY: 4013400 4017.7435 20454.7117 14439.5212 238.7274 -203237.0856 2651.0367 0.0000 0.0000 52383.8925 -109051.4526 301.0510 -161435.3451 -108695.4981 300.5316 -111.2461 -83.3096 762311.7454 8.1852 8.1239 PRESSURE: 4013600 50.0658 -210.3 70.0351 -210.3 -136.089 28.7232 70.0352 28.7238 -16.5799 GPRESSURE: 4013600 88.7467 -249.181 4.42832 -207.27 -176.117 -30.6267 8.46552 124.269 65.6568 PRESSAVG: 4013600 7.76979 -54.3912 -31.2124 -54.3911 -13.6871 49.7362 -31.2124 49.7363 20.1536 GPRESSAVG: 4013600 7.86535 -53.0834 -31.5024 -56 -13.9725 47.9523 -32.4391 51.5894 20.4761 TIMING: 4013600 CPU: 12691.6, 0.00315445/step Wall: 12691.6, 0.00315445/step, 0.86432 hours remaining, 237.128906 MB of memory in use. ENERGY: 4013600 3966.3986 20615.0010 14486.7830 233.8919 -203699.2384 2569.3200 0.0000 0.0000 52583.7270 -109244.1169 302.1994 -161827.8438 -108871.6717 300.6860 -34.2010 -7.2380 760602.6970 4.7455 4.7896 PRESSURE: 4013800 -126.834 -48.231 -0.0744875 -48.23 -190.542 136.15 -0.0753486 136.149 191.016 GPRESSURE: 4013800 -105.309 -59.5831 39.4669 -55.7927 -74.8167 163.23 23.9442 -3.90351 146.235 PRESSAVG: 4013800 75.2285 -38.3369 12.839 -38.337 -42.0838 15.5346 12.839 15.5347 -4.72361 GPRESSAVG: 4013800 75.5667 -40.7153 15.3424 -35.8007 -43.3724 15.8117 12.5081 13.8872 -4.42669 TIMING: 4013800 CPU: 12692.2, 0.00315723/step Wall: 12692.2, 0.00315723/step, 0.864906 hours remaining, 237.128906 MB of memory in use. ENERGY: 4013800 4040.1380 20579.8783 14392.6950 250.0431 -203208.9779 2514.7738 0.0000 0.0000 52062.2423 -109369.2074 299.2024 -161431.4497 -109000.6300 300.4575 -42.1202 -11.2966 762388.8668 9.4737 9.2559 PRESSURE: 4014000 519.471 -141.617 -327.935 -141.617 -323.826 -35.214 -327.935 -35.2143 541.65 GPRESSURE: 4014000 550.538 -61.4439 -303.221 -260.021 -232.111 -69.9089 -159.548 33.7193 500.553 PRESSAVG: 4014000 5.03681 -33.8563 -24.1908 -33.8563 -23.028 -20.516 -24.1908 -20.5161 20.8281 GPRESSAVG: 4014000 5.96482 -32.1429 -26.4129 -35.8082 -22.6244 -22.5034 -21.5427 -20.2451 19.8568 TIMING: 4014000 CPU: 12692.8, 0.00315995/step Wall: 12692.8, 0.00315995/step, 0.865476 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4014000 4008.0079 20544.6358 14440.8949 246.8024 -203476.4505 2723.0515 0.0000 0.0000 52124.7240 -109388.3339 299.5615 -161513.0580 -109024.4576 299.7782 245.7648 272.9935 760911.8926 0.9456 1.0658 PRESSURE: 4014200 -386.044 -55.7345 -78.4214 -55.7352 -274.325 -211.132 -78.4209 -211.131 -20.3251 GPRESSURE: 4014200 -302.372 -137.03 -81.3336 -58.9262 -322.872 -212.501 -48.4769 -169.075 24.4251 PRESSAVG: 4014200 -28.5073 -64.2814 20.5172 -64.2815 43.4744 -32.5312 20.5172 -32.5313 -11.7025 GPRESSAVG: 4014200 -29.335 -64.4495 22.1909 -63.0497 42.8749 -31.7683 17.4023 -32.141 -10.4395 TIMING: 4014200 CPU: 12693.5, 0.00317598/step Wall: 12693.5, 0.00317598/step, 0.869689 hours remaining, 237.128906 MB of memory in use. ENERGY: 4014200 4039.9407 20760.5575 14436.7071 246.0099 -203197.5852 2359.7346 0.0000 0.0000 52274.6314 -109080.0040 300.4230 -161354.6353 -108729.2099 299.9926 -226.8981 -200.2730 762271.1969 1.0882 1.0335 PRESSURE: 4014400 -69.0054 -196.761 -47.8928 -196.762 -320.808 19.0099 -47.8932 19.0094 2.46052 GPRESSURE: 4014400 13.2241 -272.607 -90.6607 -83.5456 -270.746 65.4557 -12.4717 -28.5776 -27.273 PRESSAVG: 4014400 17.0363 -60.2248 34.3368 -60.2248 -5.43652 2.64523 34.3368 2.64519 -8.95004 GPRESSAVG: 4014400 16.6999 -61.3466 31.9366 -61.8362 -4.52294 5.08108 37.2155 3.26384 -9.57359 TIMING: 4014400 CPU: 12694.1, 0.00317298/step Wall: 12694.1, 0.00317298/step, 0.868691 hours remaining, 237.128906 MB of memory in use. ENERGY: 4014400 3995.7323 20450.4090 14421.6212 249.8830 -202988.4239 2259.2515 0.0000 0.0000 52368.0657 -109243.4612 300.9600 -161611.5269 -108875.2425 300.5282 -129.1176 -94.9316 761278.4768 0.8832 0.8678 PRESSURE: 4014600 -170.296 76.9936 170.608 76.9938 60.1796 162.96 170.608 162.96 -89.728 GPRESSURE: 4014600 -106.985 168.237 187.275 116.75 75.7555 195.638 90.6341 141.998 -73.4654 PRESSAVG: 4014600 44.6848 -48.5467 -14.12 -48.5467 -32.839 12.5121 -14.12 12.5121 22.7545 GPRESSAVG: 4014600 44.5087 -46.3052 -13.2014 -46.7987 -33.7403 13.9536 -16.0231 10.1483 23.5062 TIMING: 4014600 CPU: 12694.8, 0.00317745/step Wall: 12694.8, 0.00317745/step, 0.869739 hours remaining, 237.128906 MB of memory in use. ENERGY: 4014600 4033.7725 20481.4875 14413.4235 241.2715 -203272.2909 2566.4871 0.0000 0.0000 52419.1316 -109116.7172 301.2535 -161535.8488 -108765.3160 300.1887 -66.6148 -34.8982 760173.8511 11.5335 11.4249 PRESSURE: 4014800 233.442 -72.662 24.7507 -72.6622 84.1198 11.9778 24.7514 11.9789 95.0413 GPRESSURE: 4014800 241.001 -136.015 26.8615 -46.3066 144.277 -3.28751 -14.8548 149.93 130.415 PRESSAVG: 4014800 -19.4053 8.86937 -33.2406 8.86931 32.9384 -30.8783 -33.2406 -30.8783 -14.6645 GPRESSAVG: 4014800 -17.2432 8.33158 -33.0804 7.21116 32.6427 -31.6711 -33.4083 -32.0883 -16.0067 TIMING: 4014800 CPU: 12695.4, 0.00317779/step Wall: 12695.4, 0.00317779/step, 0.869656 hours remaining, 237.128906 MB of memory in use. ENERGY: 4014800 4025.6661 20543.0664 14439.6355 241.8806 -203426.1238 2728.5724 0.0000 0.0000 52518.4498 -108928.8530 301.8243 -161447.3028 -108564.5278 300.4551 137.5343 171.8975 763132.5631 -0.3771 -0.2024 PRESSURE: 4015000 229.7 -36.8552 38.9872 -36.8559 0.594243 5.66189 38.9879 5.66318 -57.3653 GPRESSURE: 4015000 207.287 -138.102 24.8197 -2.61354 134.417 15.3274 -59.1588 -94.0556 -75.5038 PRESSAVG: 4015000 9.58914 -59.9077 38.7026 -59.9076 -29.2156 7.09164 38.7027 7.09168 17.8541 GPRESSAVG: 4015000 7.57594 -61.0581 37.1826 -57.6123 -28.2521 5.84391 37.3408 10.0363 18.2613 TIMING: 4015000 CPU: 12696, 0.00319482/step Wall: 12696, 0.00319482/step, 0.874138 hours remaining, 237.128906 MB of memory in use. ENERGY: 4015000 4008.4626 20613.7943 14401.1865 225.3884 -203183.5442 2736.7712 0.0000 0.0000 52181.9847 -109015.9563 299.8906 -161197.9411 -108665.0821 300.6261 57.6430 88.7336 763692.4297 -0.5908 -0.8049 PRESSURE: 4015200 14.819 -16.2547 50.5742 -16.2545 -90.4662 -44.3302 50.5742 -44.3303 134.093 GPRESSURE: 4015200 -45.7374 -122.588 61.4165 8.39072 90.561 -87.2168 161.37 77.699 97.9914 PRESSAVG: 4015200 17.3605 -32.3796 1.74667 -32.3797 -11.9173 -43.0135 1.74659 -43.0134 0.112194 GPRESSAVG: 4015200 17.3394 -31.7508 3.7981 -33.0337 -10.9508 -42.1322 2.82699 -42.7021 -0.927268 TIMING: 4015200 CPU: 12696.7, 0.00320791/step Wall: 12696.7, 0.00320791/step, 0.877543 hours remaining, 237.128906 MB of memory in use. ENERGY: 4015200 3860.8477 20633.8035 14394.7148 226.8716 -202913.3454 2374.9105 0.0000 0.0000 52320.7081 -109101.4892 300.6878 -161422.1973 -108728.6095 300.7111 19.4819 47.6050 762377.4633 1.8518 1.8204 PRESSURE: 4015400 -24.7207 -277.816 -33.3904 -277.815 109.8 40.5128 -33.3897 40.5137 -39.7004 GPRESSURE: 4015400 32.3489 -235.599 -78.9428 -209.836 131.244 160.429 -30.5108 106.909 -42.6748 PRESSAVG: 4015400 -44.8745 -29.0943 21.6373 -29.0943 30.8041 -3.38269 21.6373 -3.38266 18.7629 GPRESSAVG: 4015400 -44.2703 -30.4681 20.0418 -28.2838 29.0932 -4.63471 22.2296 -2.67197 19.9752 TIMING: 4015400 CPU: 12697.3, 0.00319611/step Wall: 12697.3, 0.00319611/step, 0.874135 hours remaining, 237.128906 MB of memory in use. ENERGY: 4015400 3951.1867 20409.1139 14435.2066 248.9112 -203183.6705 2643.6091 0.0000 0.0000 52243.3860 -109252.2570 300.2435 -161495.6430 -108884.7707 299.9930 15.1264 40.3062 762277.8178 1.5641 1.5993 PRESSURE: 4015600 -299.049 -146.46 29.3913 -146.46 -333.078 91.6206 29.3916 91.6209 161.712 GPRESSURE: 4015600 -318.019 -32.3072 16.5882 -210.284 -228.224 -3.56974 112.706 62.7563 155.477 PRESSAVG: 4015600 4.79893 8.5779 41.1621 8.57785 -13.9272 8.24881 41.1621 8.24869 -1.96297 GPRESSAVG: 4015600 5.15503 9.53689 41.5773 9.16237 -13.8097 8.03138 41.4289 7.39372 -2.98699 TIMING: 4015600 CPU: 12697.9, 0.00318076/step Wall: 12697.9, 0.00318076/step, 0.869762 hours remaining, 237.128906 MB of memory in use. ENERGY: 4015600 3994.8735 20546.3146 14402.2966 267.9748 -203359.8969 2572.8951 0.0000 0.0000 52191.8266 -109383.7156 299.9471 -161575.5421 -109021.4602 299.4766 -156.8050 -130.2555 762805.9440 -3.6971 -3.8806 PRESSURE: 4015800 121.5 14.2196 201.498 14.2185 -150.439 460.646 201.498 460.646 -82.0887 GPRESSURE: 4015800 132.071 77.9763 188.993 31.7892 -84.7067 448.926 143.334 446.742 -42.4711 PRESSAVG: 4015800 94.7162 -29.6252 -32.2924 -29.6252 -137.166 8.13402 -32.2925 8.13406 -38.8291 GPRESSAVG: 4015800 93.6222 -29.7005 -30.6794 -30.5274 -137.209 8.36526 -32.9379 6.52656 -37.2899 TIMING: 4015800 CPU: 12698.6, 0.00317945/step Wall: 12698.6, 0.00317945/step, 0.869227 hours remaining, 237.128906 MB of memory in use. ENERGY: 4015800 3889.6286 20368.0843 14389.0673 235.8211 -203258.4767 2800.2201 0.0000 0.0000 52280.9606 -109294.6948 300.4594 -161575.6554 -108926.3612 299.5509 -37.0092 1.6311 761926.6738 -27.0931 -26.9590 PRESSURE: 4016000 -242.447 -65.9473 -168.168 -65.9462 91.598 106.538 -168.168 106.538 430.745 GPRESSURE: 4016000 -130.378 -68.2437 -220.889 27.9693 70.2083 123.925 -177.165 128.245 441.122 PRESSAVG: 4016000 22.3351 18.6185 -35.732 18.6185 1.48544 -11.9563 -35.732 -11.9563 9.68915 GPRESSAVG: 4016000 22.8572 19.0162 -36.8668 18.1994 1.85588 -10.0454 -35.8929 -12.62 8.59321 TIMING: 4016000 CPU: 12699.2, 0.00319215/step Wall: 12699.2, 0.00319215/step, 0.87252 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4016000 4058.7006 20512.6305 14409.8036 238.1932 -203354.3077 2698.7775 0.0000 0.0000 52160.2662 -109275.9361 299.7658 -161436.2023 -108921.9060 299.4762 93.2987 126.9839 762693.3314 11.1699 11.1021 PRESSURE: 4016200 -97.3385 228.241 -328.652 228.241 81.8551 -113.116 -328.651 -113.116 -391.788 GPRESSURE: 4016200 -17.0283 288.32 -318.715 62.7747 121.932 6.4988 -281.36 -170.401 -436.682 PRESSAVG: 4016200 -8.27539 52.293 -36.5385 52.2929 2.19827 -10.1977 -36.5384 -10.1976 15.1293 GPRESSAVG: 4016200 -9.56712 51.2699 -36.3052 50.6036 1.66534 -11.8347 -36.3076 -7.28963 16.3771 TIMING: 4016200 CPU: 12699.9, 0.00317842/step Wall: 12699.9, 0.00317842/step, 0.868591 hours remaining, 237.128906 MB of memory in use. ENERGY: 4016200 3998.3899 20662.6860 14393.9172 254.7468 -203176.4390 2463.1109 0.0000 0.0000 52002.7333 -109400.8550 298.8604 -161403.5883 -109044.2548 299.4431 -135.7571 -110.5930 764057.5807 3.0174 2.8251 LDB: ============= START OF LOAD BALANCING ============== 12712.3 LDB: ============== END OF LOAD BALANCING =============== 12712.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12712.3 LDB: ============= START OF LOAD BALANCING ============== 12712.6 LDB: Largest compute 7068 load 0.037236 is 19.0% of average load 0.196214 LDB: Average compute 0.004387 is 2.2% of average load 0.196214 LDB: TIME 12712.6 LOAD: AVG 0.196214 MAX 0.21453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.207 MB LDB: TIME 12712.6 LOAD: AVG 0.196214 MAX 0.21453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.41 MB LDB: TIME 12712.6 LOAD: AVG 0.196214 MAX 0.21453 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.41 MB LDB: ============== END OF LOAD BALANCING =============== 12712.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12712.6 PRESSURE: 4016400 -47.4515 -102.715 -299.325 -102.716 -237.112 21.5571 -299.325 21.5569 81.2464 GPRESSURE: 4016400 -21.5982 -23.3172 -287.094 -60.8344 -174.986 21.9433 -266.956 8.03015 76.4026 PRESSAVG: 4016400 13.5565 -26.8762 -9.19578 -26.8761 -36.9454 8.2172 -9.1958 8.21709 -22.2053 GPRESSAVG: 4016400 14.1787 -26.7454 -8.87956 -25.5652 -35.4154 7.96412 -9.0772 8.59205 -24.4985 TIMING: 4016400 CPU: 12700.5, 0.00323879/step Wall: 12700.5, 0.00323879/step, 0.884909 hours remaining, 238.152344 MB of memory in use. ENERGY: 4016400 3996.0850 20568.8320 14392.6361 265.3951 -203285.7873 2422.7257 0.0000 0.0000 52019.9083 -109620.2052 298.9591 -161640.1135 -109273.0462 299.2028 -67.7725 -40.0604 761510.6170 -15.1981 -15.2451 PRESSURE: 4016600 -58.8696 93.2359 277.9 93.2361 188.297 -46.0222 277.899 -46.022 -399.329 GPRESSURE: 4016600 9.69785 63.1636 259.074 134.205 117.696 -71.348 305.447 -46.1233 -288.508 PRESSAVG: 4016600 -7.17003 54.6228 29.8753 54.6228 10.8953 -7.7137 29.8753 -7.71373 -16.9299 GPRESSAVG: 4016600 -7.03573 53.7772 30.6317 55.7327 8.26917 -8.46274 29.2952 -8.14539 -14.0174 TIMING: 4016600 CPU: 12701.1, 0.00314581/step Wall: 12701.1, 0.00314581/step, 0.859329 hours remaining, 238.355469 MB of memory in use. ENERGY: 4016600 3987.1080 20519.9305 14354.1475 249.6753 -203495.7717 2793.1234 0.0000 0.0000 52232.5670 -109359.2200 300.1813 -161591.7870 -108999.6270 299.6014 -89.9670 -53.7048 760894.2717 -4.4015 -4.2613 PRESSURE: 4016800 229.338 50.5537 93.8371 50.5537 116.83 24.3582 93.8378 24.3587 321.432 GPRESSURE: 4016800 215.162 -17.9604 157.093 91.531 203.047 -50.475 -30.5244 -30.949 337.928 PRESSAVG: 4016800 11.2823 -42.5258 18.0343 -42.5259 10.139 -27.3378 18.0343 -27.3378 18.3272 GPRESSAVG: 4016800 11.7944 -41.0018 15.5739 -43.8832 10.7023 -25.9758 19.499 -28.1016 17.1709 TIMING: 4016800 CPU: 12701.8, 0.00315279/step Wall: 12701.8, 0.00315279/step, 0.861063 hours remaining, 238.355469 MB of memory in use. ENERGY: 4016800 3956.0580 20484.6845 14462.8536 253.1613 -203217.7001 2550.7676 0.0000 0.0000 52105.5027 -109404.6724 299.4510 -161510.1751 -109034.0806 299.3581 222.5335 252.0458 762222.3900 13.2495 13.2225 PRESSURE: 4017000 -241.683 164.304 -106.901 164.304 -253.206 -7.63859 -106.901 -7.63876 58.9255 GPRESSURE: 4017000 -228.035 198.209 -77.0012 92.352 -187.24 13.973 -54.4477 -147.692 64.9229 PRESSAVG: 4017000 22.326 -14.1825 -21.201 -14.1824 -10.6884 29.1748 -21.2011 29.175 -2.97411 GPRESSAVG: 4017000 20.0668 -15.3643 -21.1986 -15.3572 -7.90102 30.3268 -23.3621 28.8303 -3.43794 TIMING: 4017000 CPU: 12702.4, 0.00315615/step Wall: 12702.4, 0.00315615/step, 0.861805 hours remaining, 238.355469 MB of memory in use. ENERGY: 4017000 4015.0777 20699.6710 14395.4844 240.4787 -203325.5015 2538.1880 0.0000 0.0000 51793.6598 -109642.9419 297.6589 -161436.6017 -109291.0319 298.5822 -145.3212 -116.7842 761569.0458 2.8878 2.9093 PRESSURE: 4017200 75.5332 -107.126 28.8606 -107.126 3.77322 10.0587 28.861 10.0587 -275.55 GPRESSURE: 4017200 138.539 45.5287 -5.36153 -96.3548 -13.9978 18.5048 62.5621 40.198 -219.468 PRESSAVG: 4017200 23.8961 -17.7419 -59.0081 -17.7418 -7.0218 37.7026 -59.0081 37.7026 -5.83371 GPRESSAVG: 4017200 26.514 -15.1266 -57.0325 -18.6997 -11.0002 36.8887 -58.0135 38.5052 -4.43389 TIMING: 4017200 CPU: 12703, 0.00316319/step Wall: 12703, 0.00316319/step, 0.863551 hours remaining, 238.355469 MB of memory in use. ENERGY: 4017200 3962.7811 20437.6754 14457.6665 235.2820 -203372.5116 2538.8948 0.0000 0.0000 52096.5437 -109643.6680 299.3996 -161740.2117 -109281.7048 299.0153 -65.4144 -31.6423 761676.6306 3.6802 3.6933 PRESSURE: 4017400 82.2718 -68.8936 0.323767 -68.8935 277.341 5.27027 0.322842 5.27008 183.919 GPRESSURE: 4017400 85.6238 -98.8599 -52.5906 -168.223 358.541 29.5114 5.01291 -63.1562 172.689 PRESSAVG: 4017400 53.3495 -41.9499 -20.7708 -41.9499 -27.3569 17.6454 -20.7708 17.6453 -11.8757 GPRESSAVG: 4017400 52.1324 -41.6375 -21.409 -41.6185 -24.7236 16.8444 -19.3938 17.7035 -13.3374 TIMING: 4017400 CPU: 12703.7, 0.00315369/step Wall: 12703.7, 0.00315369/step, 0.860782 hours remaining, 238.355469 MB of memory in use. ENERGY: 4017400 4057.2036 20590.5505 14329.9285 239.0507 -203834.2490 2939.6907 0.0000 0.0000 52107.3188 -109570.5060 299.4615 -161677.8248 -109199.1951 299.1693 181.1773 205.6179 760100.4384 4.7056 4.6905 PRESSURE: 4017600 -160.512 112.2 -27.2038 112.199 51.1792 48.9505 -27.2051 48.9496 -362.74 GPRESSURE: 4017600 -139.264 32.2882 3.22708 91.24 101.734 13.0838 1.19842 98.114 -339.826 PRESSAVG: 4017600 -29.1063 -43.2876 20.5633 -43.2876 47.2796 18.886 20.5634 18.886 21.9095 GPRESSAVG: 4017600 -29.3343 -45.3173 20.0452 -43.8905 45.7913 18.4593 20.8487 20.3782 23.2787 TIMING: 4017600 CPU: 12704.3, 0.00316597/step Wall: 12704.3, 0.00316597/step, 0.863959 hours remaining, 238.355469 MB of memory in use. ENERGY: 4017600 3879.2357 20422.3560 14471.8545 265.4088 -203536.8468 2627.8959 0.0000 0.0000 52271.0813 -109599.0145 300.4026 -161870.0958 -109212.1638 299.0261 -157.3575 -125.7855 762062.0731 13.3610 13.2452 PRESSURE: 4017800 -188.106 84.6134 16.4778 84.6138 -229.592 203.101 16.4769 203.102 -195.79 GPRESSURE: 4017800 -221.866 24.1003 113.247 135.281 -160.171 136.19 -158.562 242.04 -157.502 PRESSAVG: 4017800 -58.3728 -18.406 -45.3414 -18.406 54.0242 7.25357 -45.3415 7.25353 -21.498 GPRESSAVG: 4017800 -58.6766 -18.6232 -43.8617 -17.1522 54.0195 5.98313 -45.9164 6.45813 -21.569 TIMING: 4017800 CPU: 12704.9, 0.00316346/step Wall: 12704.9, 0.00316346/step, 0.863096 hours remaining, 238.355469 MB of memory in use. ENERGY: 4017800 3930.3222 20636.3419 14442.2130 238.1668 -203466.4657 2544.7324 0.0000 0.0000 52113.9619 -109560.7275 299.4997 -161674.6894 -109204.5231 298.9401 -204.4959 -179.8462 762037.0946 -8.6155 -8.7420 PRESSURE: 4018000 -87.9818 120.394 58.4765 120.393 126.2 -29.0529 58.4761 -29.0523 506.292 GPRESSURE: 4018000 42.304 189.968 82.6693 157.009 155.69 -1.16901 48.224 -13.0594 444.672 PRESSAVG: 4018000 -79.2758 -21.191 -33.8819 -21.191 9.17085 39.0759 -33.882 39.0759 -2.27668 GPRESSAVG: 4018000 -79.0924 -20.9356 -33.1243 -22.0289 9.39736 41.0802 -34.7626 37.0068 -2.21347 TIMING: 4018000 CPU: 12705.5, 0.00313488/step Wall: 12705.5, 0.00313488/step, 0.855124 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4018000 3982.5194 20761.7409 14455.4750 236.4469 -203425.9057 2770.4416 0.0000 0.0000 51571.2184 -109648.0636 296.3805 -161219.2819 -109292.2181 299.1073 181.5036 214.2222 761749.3308 -24.1272 -23.9695 PRESSURE: 4018200 -266.69 62.05 -112.8 62.0496 -75.2261 -193.429 -112.8 -193.429 5.53459 GPRESSURE: 4018200 -245.788 187.892 -132.91 196.439 1.95653 -188.692 -109.992 -133.662 -15.2718 PRESSAVG: 4018200 14.7091 -24.6762 -3.28344 -24.6761 3.85902 -54.4005 -3.28335 -54.4005 21.0318 GPRESSAVG: 4018200 14.9274 -25.1381 -4.2497 -23.2066 5.09051 -54.6616 -4.78207 -50.7092 19.9837 TIMING: 4018200 CPU: 12706.2, 0.003134/step Wall: 12706.2, 0.003134/step, 0.854711 hours remaining, 238.355469 MB of memory in use. ENERGY: 4018200 3992.6812 20694.0825 14418.6545 265.0955 -203467.2812 2605.4919 0.0000 0.0000 51900.2557 -109591.0199 298.2715 -161491.2756 -109235.4965 298.8470 -112.1271 -86.3678 762113.5417 13.2000 13.3339 PRESSURE: 4018400 -6.27441 -56.7681 -112.479 -56.7679 472.942 -385.094 -112.479 -385.094 -5.58458 GPRESSURE: 4018400 79.8473 -143.152 -106.774 56.9237 432.406 -352.348 -53.3143 -360.495 53.7385 PRESSAVG: 4018400 7.85794 -29.0339 -3.14854 -29.0337 -21.8769 -80.1955 -3.14849 -80.1954 -7.02229 GPRESSAVG: 4018400 7.93966 -28.171 -2.47129 -30.7793 -22.1502 -79.5325 -0.483837 -82.4487 -6.93913 TIMING: 4018400 CPU: 12706.8, 0.00314085/step Wall: 12706.8, 0.00314085/step, 0.856406 hours remaining, 238.355469 MB of memory in use. ENERGY: 4018400 4005.8602 20561.8590 14542.3156 264.1870 -203654.3701 2587.6667 0.0000 0.0000 52219.4112 -109473.0703 300.1057 -161692.4816 -109113.4732 299.6451 153.6944 188.6638 760651.1772 -7.0137 -7.0499 PRESSURE: 4018600 -218.047 -21.7984 99.8182 -21.7981 -84.7385 -8.20292 99.818 -8.20177 -166.717 GPRESSURE: 4018600 -132.719 -88.6432 68.393 -85.3212 5.41485 -6.45356 136.827 14.821 -244.405 PRESSAVG: 4018600 -10.0603 -32.779 0.633884 -32.7789 -14.3745 -67.4755 0.633861 -67.4754 7.6918 GPRESSAVG: 4018600 -9.88701 -33.2906 0.163127 -30.5488 -13.8601 -69.3914 -0.218853 -66.5179 7.23556 TIMING: 4018600 CPU: 12707.4, 0.0031419/step Wall: 12707.4, 0.00314191/step, 0.856518 hours remaining, 238.355469 MB of memory in use. ENERGY: 4018600 4040.3336 20529.6456 14449.0841 264.9422 -203303.7145 2475.2501 0.0000 0.0000 52040.7339 -109503.7251 299.0788 -161544.4590 -109142.1760 299.3966 -156.5009 -123.9029 759948.8485 -5.5810 -5.5039 PRESSURE: 4018800 124.908 74.5171 -170.858 74.5157 201.96 51.1601 -170.859 51.1596 16.8984 GPRESSURE: 4018800 124.686 66.8318 -98.5583 92.4783 204.649 76.8813 -71.5053 117.871 103.938 PRESSAVG: 4018800 -5.39788 32.5793 -8.50403 32.5793 2.4686 4.34938 -8.50403 4.3494 -9.63213 GPRESSAVG: 4018800 -4.22366 32.6305 -8.92203 30.6123 1.42015 4.49925 -8.84524 4.08872 -9.11586 TIMING: 4018800 CPU: 12708.1, 0.00312643/step Wall: 12708.1, 0.00312643/step, 0.852125 hours remaining, 238.355469 MB of memory in use. ENERGY: 4018800 3951.8324 20590.0224 14365.6578 241.7731 -203863.4680 2843.8875 0.0000 0.0000 52190.4093 -109679.8854 299.9390 -161870.2948 -109320.8149 299.4599 114.5888 144.4242 759379.2533 -4.1871 -3.9731 PRESSURE: 4019000 46.6955 86.573 -139.234 86.5724 93.7436 -47.0642 -139.235 -47.0632 125.581 GPRESSURE: 4019000 112.563 104.33 -188.587 30.8234 172.545 24.1098 -1.20764 -20.7408 60.82 PRESSAVG: 4019000 -36.9635 17.8213 12.9496 17.8213 64.7621 28.4433 12.9496 28.4434 -14.1054 GPRESSAVG: 4019000 -37.9476 16.3246 12.2532 21.3028 65.9442 29.3502 15.1116 27.8892 -14.5672 TIMING: 4019000 CPU: 12708.7, 0.00312009/step Wall: 12708.7, 0.00312009/step, 0.850226 hours remaining, 238.355469 MB of memory in use. ENERGY: 4019000 3991.1616 20530.6430 14412.7818 261.2297 -203841.7199 2881.8679 0.0000 0.0000 51900.1715 -109863.8644 298.2710 -161764.0358 -109505.9323 298.9503 88.6735 115.3093 760876.9905 4.5644 4.4765 PRESSURE: 4019200 104.529 -104.908 86.8635 -104.907 -55.3451 -90.1184 86.8627 -90.1184 -297.212 GPRESSURE: 4019200 129.382 -73.7271 52.7532 -73.347 -36.0401 -132.48 11.05 -63.8035 -257.364 PRESSAVG: 4019200 -24.0299 -22.9889 -32.5513 -22.9889 41.2757 33.9818 -32.5513 33.9817 -0.797681 GPRESSAVG: 4019200 -25.1228 -21.2064 -32.7763 -24.4563 40.7579 34.7979 -35.9719 34.1502 0.292745 TIMING: 4019200 CPU: 12709.3, 0.00313706/step Wall: 12709.3, 0.00313706/step, 0.854674 hours remaining, 238.355469 MB of memory in use. ENERGY: 4019200 3970.6274 20845.9606 14363.9973 259.7851 -203651.7492 2728.0219 0.0000 0.0000 51614.0864 -109869.2705 296.6269 -161483.3569 -109511.5625 298.8051 -82.6759 -54.6739 761177.0155 5.4827 5.3093 PRESSURE: 4019400 160.35 -140.665 138.514 -140.664 185.909 -184.619 138.514 -184.619 323.005 GPRESSURE: 4019400 217.097 -171.555 224.61 -167.717 219.036 -196.834 181.256 -38.6696 328.771 PRESSAVG: 4019400 67.8448 -6.00074 62.1353 -6.00066 -46.7224 15.3644 62.1354 15.3643 20.1797 GPRESSAVG: 4019400 66.7398 -5.66605 61.1774 -5.24268 -45.8667 14.0884 62.8701 15.8749 20.0898 TIMING: 4019400 CPU: 12709.9, 0.00311749/step Wall: 12709.9, 0.00311749/step, 0.84917 hours remaining, 238.355469 MB of memory in use. ENERGY: 4019400 3898.7869 20619.2607 14484.2650 234.9016 -204358.3914 3122.3191 0.0000 0.0000 52335.8696 -109662.9886 300.7750 -161998.8581 -109286.6623 298.5966 223.0882 254.9678 758825.9337 13.7674 13.6543 PRESSURE: 4019600 211.698 86.7478 129.039 86.7478 122.763 91.687 129.039 91.6876 -37.7656 GPRESSURE: 4019600 284.92 53.0083 -40.7819 5.33651 61.9012 137.423 194.249 46.7841 42.2685 PRESSAVG: 4019600 15.403 -4.61461 36.2222 -4.61462 9.53834 9.35012 36.2223 9.35017 -2.96031 GPRESSAVG: 4019600 16.5956 -5.32808 37.5909 -5.3471 7.73468 9.42707 36.7511 8.21828 -3.34682 TIMING: 4019600 CPU: 12710.6, 0.00312351/step Wall: 12710.6, 0.00312351/step, 0.850637 hours remaining, 238.355469 MB of memory in use. ENERGY: 4019600 4048.5559 20667.6478 14455.5835 253.3623 -203763.4396 2529.5492 0.0000 0.0000 52236.9673 -109571.7736 300.2066 -161808.7410 -109206.0867 299.6059 98.8986 129.6966 757991.6367 7.3270 6.9945 PRESSURE: 4019800 -43.6416 -178.429 319.166 -178.429 230.429 -80.9671 319.167 -80.9673 396.087 GPRESSURE: 4019800 15.8979 -212.906 282.719 -220.912 152.543 -4.9684 398.239 -139.589 486.293 PRESSAVG: 4019800 26.7666 34.7535 -29.7479 34.7536 -4.90691 1.47826 -29.7478 1.47833 -21.445 GPRESSAVG: 4019800 27.225 37.0478 -28.9937 34.4459 -5.90236 1.75928 -28.7981 1.6547 -21.1865 TIMING: 4019800 CPU: 12711.2, 0.00314269/step Wall: 12711.2, 0.00314269/step, 0.855684 hours remaining, 238.355469 MB of memory in use. ENERGY: 4019800 3980.1503 20591.3205 14479.9866 234.2416 -203532.7531 2481.1436 0.0000 0.0000 51842.9707 -109922.9399 297.9423 -161765.9106 -109548.2208 299.0967 194.2914 218.2446 757116.2678 0.1382 0.0454 PRESSURE: 4020000 -244.884 119.436 -27.6582 119.436 -273.918 52.8799 -27.6573 52.8791 -128.303 GPRESSURE: 4020000 -141.69 100.595 -60.921 145.185 -273.18 11.5337 -69.1014 26.8709 -147.958 PRESSAVG: 4020000 -8.9606 -1.14009 -35.4584 -1.1401 7.65917 3.37761 -35.4584 3.37757 20.5014 GPRESSAVG: 4020000 -9.56253 -4.21938 -36.1941 -1.40185 8.72963 3.1161 -38.0489 3.43773 20.2211 TIMING: 4020000 CPU: 12711.8, 0.00314517/step Wall: 12711.8, 0.00314517/step, 0.856186 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4020000 4069.8233 20452.3235 14443.2941 257.7938 -203632.8532 2516.5953 0.0000 0.0000 52166.4560 -109726.5671 299.8013 -161893.0231 -109361.7469 298.7635 -215.7018 -187.6095 759273.2294 6.4000 6.4627 PRESSURE: 4020200 183.138 -21.5292 -23.6768 -21.5287 53.3922 -118.084 -23.6768 -118.084 -98.4922 GPRESSURE: 4020200 251.853 59.1688 16.5516 41.4837 86.0131 -176.058 -10.6628 -92.1192 -116.121 PRESSAVG: 4020200 -30.7156 -13.6602 -33.4938 -13.6602 7.06352 -1.69548 -33.4937 -1.69545 -23.8607 GPRESSAVG: 4020200 -31.2289 -11.3155 -34.7643 -13.0437 7.31948 -1.45929 -32.7802 -2.13611 -23.4843 TIMING: 4020200 CPU: 12712.4, 0.00313911/step Wall: 12712.4, 0.00313911/step, 0.85436 hours remaining, 238.355469 MB of memory in use. ENERGY: 4020200 3998.1255 20568.5062 14471.0720 242.5237 -204194.0328 2999.6183 0.0000 0.0000 51987.1855 -109927.0016 298.7711 -161914.1871 -109563.6545 298.9558 46.0127 73.9150 759707.4552 -15.8376 -15.7979 LDB: ============= START OF LOAD BALANCING ============== 12724.8 LDB: ============== END OF LOAD BALANCING =============== 12724.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12724.8 LDB: ============= START OF LOAD BALANCING ============== 12725.2 LDB: Largest compute 7068 load 0.035056 is 17.9% of average load 0.196096 LDB: Average compute 0.004383 is 2.2% of average load 0.196096 LDB: TIME 12725.2 LOAD: AVG 0.196096 MAX 0.214285 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 12725.2 LOAD: AVG 0.196096 MAX 0.214285 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 12725.2 LOAD: AVG 0.196096 MAX 0.214285 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: ============== END OF LOAD BALANCING =============== 12725.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12725.2 PRESSURE: 4020400 -242.475 137.945 -145.126 137.946 -259.695 54.1848 -145.126 54.185 -120.305 GPRESSURE: 4020400 -222.998 -26.5643 -83.928 99.1575 -227.264 18.7748 -65.071 -13.0408 -85.2483 PRESSAVG: 4020400 9.46261 19.7768 -42.4798 19.7768 35.1646 -24.9339 -42.4798 -24.9339 -6.70791 GPRESSAVG: 4020400 10.3926 15.5992 -40.277 19.658 35.2052 -26.1517 -41.8412 -23.6693 -7.28607 TIMING: 4020400 CPU: 12713.1, 0.00320976/step Wall: 12713.1, 0.00320976/step, 0.873412 hours remaining, 239.636719 MB of memory in use. ENERGY: 4020400 4001.3025 20517.7029 14479.5021 255.6744 -203396.6296 2325.8600 0.0000 0.0000 51898.8320 -109917.7556 298.2633 -161816.5876 -109565.3483 299.1330 -207.4917 -178.5036 759726.7511 12.6398 12.7706 PRESSURE: 4020600 49.8619 143.57 135.256 143.571 -62.8256 -119.35 135.256 -119.35 -348.925 GPRESSURE: 4020600 89.784 -38.8691 45.7588 -4.33192 -54.4348 -137.952 88.6769 -122.195 -328.65 PRESSAVG: 4020600 -61.7826 -8.94768 -13.2383 -8.94765 44.9753 -29.1427 -13.2383 -29.1426 4.69453 GPRESSAVG: 4020600 -62.1898 -6.46837 -14.4634 -10.2739 44.8337 -28.6931 -11.2122 -29.088 4.58334 TIMING: 4020600 CPU: 12713.7, 0.00314168/step Wall: 12713.7, 0.00314168/step, 0.854712 hours remaining, 239.636719 MB of memory in use. ENERGY: 4020600 4015.3484 20508.5743 14465.7162 262.9577 -203695.4584 2715.8757 0.0000 0.0000 51851.5584 -109875.4277 297.9916 -161726.9862 -109515.8383 298.7404 -120.6295 -97.7668 761307.9468 -4.0376 -4.2576 PRESSURE: 4020800 -37.9198 73.9509 244.272 73.9513 -189.678 -105.043 244.271 -105.042 213.695 GPRESSURE: 4020800 40.6179 88.8474 169.017 172.873 -152.117 -137.587 230.424 51.2454 186.612 PRESSAVG: 4020800 4.1515 8.7769 11.6366 8.77685 16.3359 12.43 11.6366 12.43 -22.535 GPRESSAVG: 4020800 3.70927 9.34772 12.1153 11.0637 16.586 13.4394 10.0399 10.1005 -22.6555 TIMING: 4020800 CPU: 12714.3, 0.00314584/step Wall: 12714.3, 0.00314584/step, 0.855669 hours remaining, 239.636719 MB of memory in use. ENERGY: 4020800 3966.4900 20517.3814 14536.9903 254.6258 -203964.8253 2975.1300 0.0000 0.0000 51752.9465 -109961.2613 297.4249 -161714.2077 -109598.9636 299.0149 -4.6343 25.0377 759542.7689 -0.6825 -0.7867 PRESSURE: 4021000 -40.4151 -189.896 5.6143 -189.896 310.712 37.3302 5.61452 37.3294 -51.957 GPRESSURE: 4021000 19.0528 -240.038 34.5643 -199.238 314.988 45.5484 6.34663 31.1614 -10.4111 PRESSAVG: 4021000 18.7448 -34.7565 11.5281 -34.7564 -13.258 12.2444 11.5281 12.2444 -11.0546 GPRESSAVG: 4021000 18.8111 -35.9167 11.9823 -35.3927 -12.752 11.47 9.26667 14.2202 -11.3308 TIMING: 4021000 CPU: 12715, 0.00313308/step Wall: 12715, 0.00313308/step, 0.852023 hours remaining, 239.636719 MB of memory in use. ENERGY: 4021000 3938.0220 20280.1387 14435.5087 259.7785 -203665.6636 2484.6318 0.0000 0.0000 52135.4368 -110132.1471 299.6231 -162267.5839 -109764.5762 298.0349 72.7799 107.8766 759293.7288 -1.8559 -1.7572 PRESSURE: 4021200 -313.771 -193.776 110.26 -193.777 -160.127 -141.314 110.259 -141.315 -248.465 GPRESSURE: 4021200 -322.024 -79.3311 40.0077 -200.552 -82.9934 -194.907 168.989 -55.333 -237.687 PRESSAVG: 4021200 -0.191493 -12.3092 28.3983 -12.3092 -5.91812 -55.6579 28.3983 -55.658 -4.63515 GPRESSAVG: 4021200 -0.526294 -11.7131 29.1863 -13.8619 -6.26148 -53.819 28.4571 -56.8626 -4.52696 TIMING: 4021200 CPU: 12715.6, 0.00315953/step Wall: 12715.6, 0.00315953/step, 0.85904 hours remaining, 239.636719 MB of memory in use. ENERGY: 4021200 3908.8688 20638.5803 14405.9532 236.9533 -203618.4966 2510.8535 0.0000 0.0000 52067.6888 -109849.5987 299.2337 -161917.2875 -109489.6843 297.9977 -240.7876 -214.2349 759845.7734 -3.5816 -3.7716 PRESSURE: 4021400 -295.466 -129.538 -241.516 -129.538 42.5742 212.781 -241.517 212.782 18.7967 GPRESSURE: 4021400 -232.004 -147.35 -173.866 -4.37604 42.1295 148.738 -230.158 315.136 39.8486 PRESSAVG: 4021400 -31.1396 -56.14 4.42477 -56.14 29.0832 17.5886 4.42477 17.5886 5.89053 GPRESSAVG: 4021400 -31.2517 -54.9079 3.88879 -55.1877 28.5264 14.5854 7.37683 20.2566 6.40984 TIMING: 4021400 CPU: 12716.2, 0.00315671/step Wall: 12716.2, 0.00315671/step, 0.8581 hours remaining, 239.636719 MB of memory in use. ENERGY: 4021400 3980.9391 20368.6613 14336.0239 248.1855 -203589.7451 2662.2446 0.0000 0.0000 52245.9330 -109747.7577 300.2581 -161993.6908 -109383.3407 298.8682 -78.0317 -50.0086 760987.7175 1.2780 1.2282 PRESSURE: 4021600 -66.2611 -201.285 -28.8547 -201.286 23.5907 -3.28389 -28.8543 -3.28374 260.589 GPRESSURE: 4021600 -157.123 -169.005 -23.5477 -267.509 77.1441 -11.6951 91.4036 -173.876 388.785 PRESSAVG: 4021600 -6.88523 -29.0092 42.9136 -29.0093 -18.3948 2.24157 42.9137 2.2417 12.0995 GPRESSAVG: 4021600 -7.81019 -29.1976 42.2709 -31.0543 -17.6271 2.06236 40.8719 2.88666 12.4885 TIMING: 4021600 CPU: 12716.9, 0.00312917/step Wall: 12716.9, 0.00312917/step, 0.850439 hours remaining, 239.636719 MB of memory in use. ENERGY: 4021600 4009.6261 20296.5731 14518.2049 239.5415 -203501.2157 2657.2815 0.0000 0.0000 51967.0602 -109812.9285 298.6554 -161779.9887 -109454.6026 298.1933 72.6394 102.9355 760929.8345 -4.3935 -4.3163 PRESSURE: 4021800 -16.429 -251.62 46.4316 -251.62 -145.059 -70.4582 46.4316 -70.4592 -122.891 GPRESSURE: 4021800 51.4901 -283.475 125.538 -282.459 -105.316 2.25734 -75.5762 12.086 -155.721 PRESSAVG: 4021800 20.8203 -28.0576 31.9423 -28.0576 12.7531 4.5214 31.9423 4.52139 -6.9998 GPRESSAVG: 4021800 21.7654 -30.4381 33.066 -25.2304 13.0874 6.759 32.219 2.49825 -8.38186 TIMING: 4021800 CPU: 12717.5, 0.00312609/step Wall: 12717.5, 0.00312609/step, 0.849429 hours remaining, 239.636719 MB of memory in use. ENERGY: 4021800 3989.1166 20477.1189 14376.9098 245.4601 -203456.2471 2667.1966 0.0000 0.0000 51875.9963 -109824.4488 298.1321 -161700.4451 -109464.3750 298.3867 -94.7929 -69.8490 761594.1061 8.8579 8.8237 PRESSURE: 4022000 -278.296 -33.0817 -59.8631 -33.081 32.6673 75.1855 -59.8633 75.1865 75.842 GPRESSURE: 4022000 -205.561 -36.0569 -72.3352 -5.51161 30.0201 14.4685 -73.7218 11.7172 61.077 PRESSAVG: 4022000 -11.6404 -43.4109 45.3953 -43.4108 -22.1663 -24.17 45.3953 -24.1701 -17.0408 GPRESSAVG: 4022000 -11.2983 -39.0079 45.5005 -47.7099 -23.3169 -24.9952 45.371 -23.6277 -16.0646 TIMING: 4022000 CPU: 12718.1, 0.00313234/step Wall: 12718.1, 0.00313234/step, 0.850953 hours remaining, 239.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4022000 3942.8329 20585.6587 14393.8403 268.6031 -203165.1720 2400.7191 0.0000 0.0000 51738.0369 -109835.4808 297.3392 -161573.5178 -109478.3080 298.4430 -56.5957 -38.1547 760695.0047 -16.9492 -16.8933 PRESSURE: 4022200 -237.294 -66.4763 -117.845 -66.4764 -290.289 -94.8436 -117.846 -94.8443 -146.768 GPRESSURE: 4022200 -262.433 -111.219 -51.2623 -23.3515 -200.636 -172.379 -181.135 -108.584 -135.415 PRESSAVG: 4022200 11.4997 -14.7681 4.96625 -14.768 -16.6388 -24.5596 4.9662 -24.5597 -7.63397 GPRESSAVG: 4022200 11.3177 -17.143 5.27443 -12.2532 -16.3811 -23.8294 3.90568 -25.4043 -7.85263 TIMING: 4022200 CPU: 12718.7, 0.00316456/step Wall: 12718.7, 0.00316456/step, 0.859529 hours remaining, 239.636719 MB of memory in use. ENERGY: 4022200 3981.9283 20441.6966 14376.0969 227.2942 -203631.9313 2685.2874 0.0000 0.0000 52235.1330 -109684.4948 300.1960 -161919.6278 -109314.0228 298.6654 -224.7834 -199.4948 760692.7342 -4.2577 -4.3053 PRESSURE: 4022400 -29.8798 11.4076 -198.654 11.4078 111.411 -65.4416 -198.655 -65.4413 29.4014 GPRESSURE: 4022400 3.98962 -2.38724 -39.0017 -41.9956 96.8974 -21.8926 -134.9 2.33812 96.9047 PRESSAVG: 4022400 11.9467 -2.65886 -57.4976 -2.65885 15.5418 -11.6829 -57.4976 -11.6829 31.1311 GPRESSAVG: 4022400 12.4437 -3.63222 -56.9208 -1.98129 15.4021 -13.0779 -56.155 -10.9538 31.5013 TIMING: 4022400 CPU: 12719.4, 0.00315748/step Wall: 12719.4, 0.00315748/step, 0.85743 hours remaining, 239.636719 MB of memory in use. ENERGY: 4022400 3965.2194 20354.7733 14369.4699 239.2445 -203398.0043 2512.2594 0.0000 0.0000 52329.2903 -109627.7474 300.7372 -161957.0377 -109257.6490 298.8167 36.9774 65.9306 760520.5435 19.5398 19.7823 PRESSURE: 4022600 68.2841 326.975 -59.9306 326.975 -6.69925 -6.56274 -59.9306 -6.56296 264.856 GPRESSURE: 4022600 117.619 194.272 -44.1016 233.73 71.8576 47.8666 53.3767 -65.1071 226.129 PRESSAVG: 4022600 38.0308 -9.01565 -38.8536 -9.01564 -26.3948 -53.7329 -38.8536 -53.7328 -15.9043 GPRESSAVG: 4022600 37.0583 -8.08072 -39.9435 -9.06314 -25.7549 -52.27 -37.2683 -54.7999 -16.5714 TIMING: 4022600 CPU: 12720, 0.00314141/step Wall: 12720, 0.00314141/step, 0.852892 hours remaining, 239.636719 MB of memory in use. ENERGY: 4022600 3958.5335 20554.8810 14418.4803 253.5100 -203126.4523 2554.7530 0.0000 0.0000 51911.6223 -109474.6723 298.3368 -161386.2946 -109120.1525 298.7536 108.8138 138.5353 760196.3877 -1.4228 -1.7560 PRESSURE: 4022800 -137.794 -243.387 11.1663 -243.388 -277.205 78.4773 11.1667 78.477 -675.646 GPRESSURE: 4022800 -56.5797 -233.492 -0.926211 -163.289 -303.186 63.1297 69.8037 102.41 -643.839 PRESSAVG: 4022800 -19.627 -25.0788 -4.96291 -25.0787 -31.3497 -5.59954 -4.96287 -5.5995 7.84993 GPRESSAVG: 4022800 -19.3599 -24.8334 -5.05992 -25.7411 -31.8308 -6.19044 -7.19292 -4.68844 7.91318 TIMING: 4022800 CPU: 12720.6, 0.00317413/step Wall: 12720.6, 0.00317414/step, 0.861601 hours remaining, 239.636719 MB of memory in use. ENERGY: 4022800 3989.0442 20604.5506 14369.0865 242.6148 -202976.7556 2333.9338 0.0000 0.0000 52218.0811 -109219.4446 300.0980 -161437.5257 -108856.2643 299.3325 -363.5485 -334.5349 762585.1502 -14.3756 -14.4259 PRESSURE: 4023000 -104.104 72.5686 -180.503 72.5687 -235.195 151.405 -180.503 151.405 -37.1004 GPRESSURE: 4023000 -70.1262 63.4604 -193.318 112.706 -120.373 184.208 -138.455 165.153 -85.1244 PRESSAVG: 4023000 65.4981 -30.8727 23.4787 -30.8727 -14.8598 -26.1845 23.4787 -26.1844 -12.0054 GPRESSAVG: 4023000 65.5952 -30.5098 22.0571 -31.8505 -14.7049 -25.9214 24.0902 -27.634 -12.6658 TIMING: 4023000 CPU: 12721.3, 0.0031623/step Wall: 12721.3, 0.0031623/step, 0.858214 hours remaining, 239.636719 MB of memory in use. ENERGY: 4023000 4007.2923 20358.7666 14416.8846 254.1050 -203232.1782 2608.0444 0.0000 0.0000 52460.7941 -109126.2911 301.4929 -161587.0853 -108757.7337 299.9664 -125.4665 -91.8747 761628.3333 12.8776 12.7415 PRESSURE: 4023200 189.258 -291.188 -201.285 -291.189 -428.711 -158.92 -201.285 -158.92 -193.71 GPRESSURE: 4023200 181.137 -284.121 -202.437 -252.113 -343.481 -196.112 -113.008 -85.6892 -182.157 PRESSAVG: 4023200 23.7001 -32.6987 -2.36546 -32.6987 -25.7697 -2.90528 -2.3655 -2.90526 6.91596 GPRESSAVG: 4023200 23.6964 -35.5071 -3.12582 -30.3845 -26.0667 -3.38994 -1.97799 -2.00084 7.3753 TIMING: 4023200 CPU: 12721.9, 0.00315209/step Wall: 12721.9, 0.00315209/step, 0.855268 hours remaining, 239.636719 MB of memory in use. ENERGY: 4023200 4041.7516 20579.5628 14352.5117 241.1169 -202698.5450 2185.6340 0.0000 0.0000 52135.4515 -109162.5165 299.6232 -161297.9680 -108793.3428 299.9199 -144.3877 -114.8339 761314.0668 1.6155 1.6684 PRESSURE: 4023400 -362.443 -108.771 -100.769 -108.772 -385.219 -249.145 -100.769 -249.146 -7.1235 GPRESSURE: 4023400 -226.61 -79.7712 -65.295 -194.607 -432.591 -274.132 -89.576 -150.067 1.73709 PRESSAVG: 4023400 18.4497 -37.5449 0.534883 -37.5449 28.2833 -55.3857 0.534922 -55.3857 24.3895 GPRESSAVG: 4023400 17.7302 -34.6232 2.63379 -38.9765 28.9101 -53.7495 0.889965 -55.9789 24.4425 TIMING: 4023400 CPU: 12722.5, 0.0031732/step Wall: 12722.5, 0.0031732/step, 0.86082 hours remaining, 239.636719 MB of memory in use. ENERGY: 4023400 4000.4704 20473.8784 14413.6852 246.6178 -202874.7531 2488.4017 0.0000 0.0000 52035.6671 -109216.0325 299.0497 -161251.6996 -108848.5450 299.7954 -251.5950 -219.1544 762719.1025 23.7075 23.6942 PRESSURE: 4023600 71.881 -9.0245 87.4679 -9.02382 -42.4231 -321.997 87.4683 -321.998 -215.738 GPRESSURE: 4023600 92.3223 -29.0472 78.7949 63.4235 -79.5311 -355.002 141.514 -326.268 -100.629 PRESSAVG: 4023600 -26.0359 -75.793 -50.7827 -75.793 28.7241 -9.5839 -50.7827 -9.58388 5.08196 GPRESSAVG: 4023600 -25.3266 -76.4588 -51.4739 -76.0436 27.8596 -11.4033 -52.1425 -8.18439 5.25 TIMING: 4023600 CPU: 12723.2, 0.00317471/step Wall: 12723.2, 0.00317471/step, 0.861052 hours remaining, 239.636719 MB of memory in use. ENERGY: 4023600 3972.0873 20606.4445 14456.2524 251.2196 -203357.1640 2611.7004 0.0000 0.0000 52081.4506 -109378.0092 299.3128 -161459.4598 -109022.3524 299.4175 -62.0933 -29.2793 762499.8628 2.5901 2.5943 PRESSURE: 4023800 -216.858 174.041 69.2169 174.04 63.2168 -141.374 69.2163 -141.374 177.542 GPRESSURE: 4023800 -127.811 148.465 -5.60937 147.858 65.6265 -213.24 30.6279 -111.812 172.51 PRESSAVG: 4023800 33.5275 -35.982 -34.536 -35.982 -14.6793 -30.0328 -34.536 -30.0328 -9.46745 GPRESSAVG: 4023800 33.1812 -37.0343 -34.1371 -35.0604 -13.6012 -29.7172 -34.9398 -30.5462 -10.4163 TIMING: 4023800 CPU: 12723.8, 0.00316041/step Wall: 12723.8, 0.00316041/step, 0.856998 hours remaining, 239.636719 MB of memory in use. ENERGY: 4023800 3974.6466 20603.1295 14412.6991 257.5241 -203012.3321 2245.8711 0.0000 0.0000 52153.4465 -109365.0153 299.7266 -161518.4618 -109006.5832 299.8256 7.9669 36.7751 761980.1043 3.1269 3.0546 PRESSURE: 4024000 229.1 158.714 -234.048 158.714 231.076 -35.4444 -234.048 -35.4448 261.024 GPRESSURE: 4024000 278.833 34.3513 -206.529 288.789 233.852 -40.0186 -202.5 23.6751 292.405 PRESSAVG: 4024000 -31.3595 -32.0422 -14.5844 -32.0422 56.1947 29.5222 -14.5844 29.5222 7.26493 GPRESSAVG: 4024000 -32.2523 -29.7802 -15.3698 -32.111 55.6198 30.256 -14.3549 28.2707 8.0535 TIMING: 4024000 CPU: 12724.4, 0.00317504/step Wall: 12724.4, 0.00317504/step, 0.860789 hours remaining, 239.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4024000 3978.8873 20388.1651 14421.7890 260.6640 -203654.3317 2983.5496 0.0000 0.0000 52142.7207 -109478.5560 299.6649 -161621.2766 -109128.4160 299.6546 240.4000 268.3634 761846.5863 10.7000 10.4737 PRESSURE: 4024200 -165.537 -168.156 72.2866 -168.155 -369.181 134.289 72.2865 134.289 -323.403 GPRESSURE: 4024200 -61.4182 -202.033 139.549 -221.417 -414.877 71.8074 110.614 49.8732 -299.495 PRESSAVG: 4024200 26.5474 5.30244 -21.1004 5.30241 3.58014 -3.73626 -21.1004 -3.7362 2.97725 GPRESSAVG: 4024200 26.5217 2.46011 -20.5902 4.93824 3.97387 -4.38117 -21.5092 -4.40215 3.05144 TIMING: 4024200 CPU: 12725.1, 0.00316491/step Wall: 12725.1, 0.00316491/step, 0.857866 hours remaining, 239.636719 MB of memory in use. ENERGY: 4024200 3940.4265 20543.1535 14347.2075 247.2489 -203544.5936 2668.8535 0.0000 0.0000 52085.5453 -109712.1584 299.3363 -161797.7037 -109348.9005 299.0918 -286.0404 -258.5967 761866.0837 11.0349 11.1823 LDB: ============= START OF LOAD BALANCING ============== 12737.5 LDB: ============== END OF LOAD BALANCING =============== 12737.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12737.5 LDB: ============= START OF LOAD BALANCING ============== 12737.8 LDB: Largest compute 7068 load 0.034550 is 17.6% of average load 0.196079 LDB: Average compute 0.004404 is 2.2% of average load 0.196079 LDB: TIME 12737.8 LOAD: AVG 0.196079 MAX 0.21447 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 12737.8 LOAD: AVG 0.196079 MAX 0.21447 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 12737.8 LOAD: AVG 0.196079 MAX 0.21447 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 12737.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12737.8 PRESSURE: 4024400 313.841 -48.1069 -62.0654 -48.1069 -5.86214 109.473 -62.0644 109.473 109.34 GPRESSURE: 4024400 412.115 -56.8828 -28.4794 -45.7586 38.9366 70.3952 -61.4793 92.2059 43.1616 PRESSAVG: 4024400 61.801 -40.0628 9.79836 -40.0628 -64.7134 19.0132 9.79843 19.0131 -10.3801 GPRESSAVG: 4024400 63.2527 -39.3657 9.99729 -39.2665 -64.4191 18.4227 12.171 19.5964 -11.5661 TIMING: 4024400 CPU: 12725.7, 0.00323492/step Wall: 12725.7, 0.00323492/step, 0.876664 hours remaining, 237.640625 MB of memory in use. ENERGY: 4024400 3896.2577 20550.3409 14432.8377 237.0474 -203432.2810 2613.5368 0.0000 0.0000 51928.2395 -109774.0210 298.4323 -161702.2605 -109414.5468 298.3894 139.1063 164.7377 762419.6884 -4.4308 -4.2442 PRESSURE: 4024600 -137.658 185.484 -149.992 185.483 103.127 -195.832 -149.992 -195.832 398.7 GPRESSURE: 4024600 51.1468 241.54 -131.822 131.391 45.7723 -159.599 -110.467 -97.068 350.439 PRESSAVG: 4024600 20.9198 2.85242 -60.8963 2.85234 -32.191 1.25366 -60.8963 1.25372 14.1426 GPRESSAVG: 4024600 21.0086 3.75672 -60.6782 1.27132 -32.838 1.93984 -62.6725 2.54713 14.8559 TIMING: 4024600 CPU: 12726.4, 0.00318078/step Wall: 12726.4, 0.00318078/step, 0.861815 hours remaining, 237.640625 MB of memory in use. ENERGY: 4024600 4022.6388 20409.6086 14463.3174 252.6085 -203667.7164 2932.5477 0.0000 0.0000 51955.7942 -109631.2012 298.5907 -161586.9954 -109265.4361 298.5263 121.3897 149.1193 762962.5619 0.9571 1.0089 PRESSURE: 4024800 326.241 28.3487 44.0149 28.3483 -140.466 255.36 44.0147 255.358 195.999 GPRESSURE: 4024800 282.969 164.348 29.2945 -82.5265 -63.3503 218.705 79.123 288.446 228.245 PRESSAVG: 4024800 49.4744 -9.05934 -15.6181 -9.05932 -15.44 2.65885 -15.6181 2.65884 14.79 GPRESSAVG: 4024800 50.3547 -10.7542 -16.0155 -7.88157 -15.6768 3.85872 -13.5325 1.70756 14.3225 TIMING: 4024800 CPU: 12727, 0.00316508/step Wall: 12727, 0.00316508/step, 0.857386 hours remaining, 237.640625 MB of memory in use. ENERGY: 4024800 3974.6434 20556.1443 14465.9108 251.6067 -203229.5277 2469.6844 0.0000 0.0000 51845.7265 -109665.8114 297.9581 -161511.5379 -109303.3001 298.4854 127.2578 149.2878 762116.3665 16.2748 16.3335 PRESSURE: 4025000 242.402 53.9739 142.062 53.9735 68.6604 -133.059 142.061 -133.059 206.154 GPRESSURE: 4025000 225.731 -102.501 117.357 -84.4296 204.742 -38.9775 2.4568 -92.3697 181.07 PRESSAVG: 4025000 52.3736 -0.134067 28.6373 -0.13405 5.77697 -28.7572 28.6372 -28.7572 -12.6476 GPRESSAVG: 4025000 50.4577 1.99204 28.9327 0.496956 6.85176 -29.7009 27.2586 -27.3184 -11.9826 TIMING: 4025000 CPU: 12727.6, 0.003159/step Wall: 12727.6, 0.003159/step, 0.855563 hours remaining, 237.640625 MB of memory in use. ENERGY: 4025000 3891.4034 20449.9096 14461.4343 241.3285 -203153.4756 2301.1692 0.0000 0.0000 51870.2829 -109937.9476 298.0992 -161808.2306 -109570.7543 298.4503 172.4053 203.8478 761294.2550 15.1676 15.1090 PRESSURE: 4025200 -141.135 -56.3699 -286.34 -56.3702 -286.956 -86.9138 -286.34 -86.9131 -196.687 GPRESSURE: 4025200 -97.7226 -11.0258 -232.168 110.084 -283.068 -66.121 -208.24 -44.1034 -145.299 PRESSAVG: 4025200 -17.7966 42.1181 -25.7399 42.1181 -47.9554 -33.2771 -25.7399 -33.2771 -0.979423 GPRESSAVG: 4025200 -18.29 43.1423 -28.0375 41.8737 -47.8937 -33.7433 -25.5718 -33.0287 -0.511913 TIMING: 4025200 CPU: 12728.2, 0.00316142/step Wall: 12728.2, 0.00316142/step, 0.856043 hours remaining, 237.640625 MB of memory in use. ENERGY: 4025200 3962.3885 20415.1499 14456.4433 230.6911 -203235.5191 2318.5109 0.0000 0.0000 52081.4784 -109770.8571 299.3130 -161852.3355 -109408.8161 298.2620 -208.2594 -175.3633 760496.0177 -22.2438 -22.2319 PRESSURE: 4025400 407.623 100.066 -72.7159 100.066 148.206 4.89145 -72.7158 4.89189 -80.9152 GPRESSURE: 4025400 502.951 119.16 18.8602 94.7214 89.8002 3.71806 -36.1781 -41.7339 -27.3636 PRESSAVG: 4025400 2.05991 9.51362 -9.66097 9.51367 -35.5741 -32.6316 -9.66092 -32.6316 -19.8893 GPRESSAVG: 4025400 2.78864 7.14003 -8.74996 10.4248 -36.3402 -34.3276 -8.30643 -32.2036 -19.7977 TIMING: 4025400 CPU: 12728.9, 0.00315043/step Wall: 12728.9, 0.00315043/step, 0.852893 hours remaining, 237.640625 MB of memory in use. ENERGY: 4025400 3921.8989 20531.0066 14374.8051 242.4376 -203426.3742 2585.1580 0.0000 0.0000 51888.4550 -109882.6130 298.2037 -161771.0680 -109523.7717 299.0047 158.3048 188.4626 759047.3953 -17.8012 -17.7831 PRESSURE: 4025600 120.221 -133.48 152.417 -133.48 92.076 -28.3754 152.418 -28.3761 -106.22 GPRESSURE: 4025600 125.261 -181.326 125.167 -125.313 201.728 -39.4451 171.28 15.0968 -151.199 PRESSAVG: 4025600 20.336 -34.1913 -45.931 -34.1913 -15.1578 -27.2012 -45.931 -27.2013 8.34973 GPRESSAVG: 4025600 20.4489 -31.8654 -44.9755 -34.9047 -14.5015 -26.565 -45.6918 -28.4877 7.36749 TIMING: 4025600 CPU: 12729.5, 0.00314514/step Wall: 12729.5, 0.00314514/step, 0.851285 hours remaining, 237.640625 MB of memory in use. ENERGY: 4025600 3941.7536 20480.6264 14401.2355 250.3031 -203663.7028 2749.5254 0.0000 0.0000 52071.2257 -109769.0331 299.2540 -161840.2589 -109412.9014 298.9950 35.3592 58.5968 760766.7919 4.5093 4.4383 PRESSURE: 4025800 -56.7084 -75.4534 111.536 -75.4532 108.403 -78.9706 111.535 -78.9693 110.255 GPRESSURE: 4025800 -150.885 -122.34 21.3891 -160.34 227.627 -2.29751 119.061 -23.6254 166.042 PRESSAVG: 4025800 52.0856 -3.9225 21.6988 -3.9225 -48.5277 4.63325 21.6989 4.63332 -5.27243 GPRESSAVG: 4025800 50.1076 -6.53243 20.49 -3.48646 -47.4398 6.37969 21.8267 2.57483 -4.60652 TIMING: 4025800 CPU: 12730.1, 0.00315454/step Wall: 12730.1, 0.00315454/step, 0.853652 hours remaining, 237.640625 MB of memory in use. ENERGY: 4025800 3900.0811 20388.5788 14477.2940 244.5950 -203452.1649 2647.1760 0.0000 0.0000 52006.6774 -109787.7628 298.8831 -161794.4401 -109415.0828 298.3425 53.9832 80.9281 759697.2294 -0.5715 -0.6463 PRESSURE: 4026000 56.6285 -27.0234 -73.1649 -27.0237 -17.7652 92.6697 -73.1649 92.6697 134.747 GPRESSURE: 4026000 90.183 -42.2937 -94.4525 32.2754 71.6942 113.668 14.2753 170.702 101.958 PRESSAVG: 4026000 30.9488 -27.3367 -13.8458 -27.3368 -41.7566 15.4571 -13.8458 15.4571 -18.8991 GPRESSAVG: 4026000 32.4022 -25.4966 -13.7283 -29.2278 -43.0287 14.395 -15.1255 16.7367 -19.1109 TIMING: 4026000 CPU: 12730.8, 0.00317216/step Wall: 12730.8, 0.00317216/step, 0.858245 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4026000 3967.0460 20629.0588 14400.2416 244.1659 -203151.6956 2408.2430 0.0000 0.0000 51738.1908 -109764.7495 297.3401 -161502.9403 -109414.6503 298.3279 57.8700 87.9450 759516.4505 -9.9023 -9.9125 PRESSURE: 4026200 -24.2585 -100.541 47.1157 -100.541 -45.0329 64.5948 47.1156 64.5955 433.395 GPRESSURE: 4026200 30.7124 -98.7042 81.2406 -45.9296 14.4506 119.165 23.6774 151.459 412.066 PRESSAVG: 4026200 67.7168 8.12733 -62.0415 8.1273 -28.4687 15.4002 -62.0415 15.4003 -17.0278 GPRESSAVG: 4026200 68.3899 6.99974 -62.0084 9.81176 -28.2851 14.7899 -62.1493 17.3166 -17.8117 TIMING: 4026200 CPU: 12731.4, 0.00316093/step Wall: 12731.4, 0.00316093/step, 0.855031 hours remaining, 237.640625 MB of memory in use. ENERGY: 4026200 3988.8097 20319.9370 14413.9479 267.5725 -203678.7717 2758.2664 0.0000 0.0000 52168.1269 -109762.1115 299.8109 -161930.2383 -109393.3173 298.7381 121.3679 152.4096 758471.4909 7.4068 7.4310 PRESSURE: 4026400 -304.434 -90.4501 230.687 -90.4506 215.925 -140.787 230.687 -140.788 -102.954 GPRESSURE: 4026400 -215.222 -117.169 103.61 -89.8459 234.857 -118.271 252.042 -77.4726 -130.129 PRESSAVG: 4026400 -22.1787 34.9607 -26.0281 34.9608 5.24793 -6.63585 -26.0281 -6.63589 2.71641 GPRESSAVG: 4026400 -23.912 36.6288 -25.5413 32.6658 4.30452 -6.02929 -25.8406 -7.67938 5.27272 TIMING: 4026400 CPU: 12732, 0.00316052/step Wall: 12732, 0.00316052/step, 0.854746 hours remaining, 237.640625 MB of memory in use. ENERGY: 4026400 4045.2517 20312.1304 14369.5989 242.3805 -202956.1174 2028.6107 0.0000 0.0000 52338.7387 -109619.4065 300.7915 -161958.1452 -109248.5471 299.3634 -63.8211 -36.8317 759017.5116 -4.7381 -4.7782 PRESSURE: 4026600 -29.9415 -43.0428 106.104 -43.0429 -238.486 103.575 106.104 103.575 -96.2728 GPRESSURE: 4026600 -45.4246 -67.8309 136.962 -59.6832 -135.445 183.926 65.3918 77.1321 -105.456 PRESSAVG: 4026600 3.15878 43.214 -16.5794 43.214 9.80507 6.68691 -16.5794 6.68691 11.6586 GPRESSAVG: 4026600 3.03303 43.0034 -16.7308 44.4713 12.154 6.56686 -18.3696 6.25115 9.4185 TIMING: 4026600 CPU: 12732.7, 0.00313397/step Wall: 12732.7, 0.00313397/step, 0.847392 hours remaining, 237.640625 MB of memory in use. ENERGY: 4026600 4079.3392 20640.6923 14350.7397 244.6670 -203408.5618 2554.1657 0.0000 0.0000 51958.0359 -109580.9221 298.6035 -161538.9580 -109221.3404 299.3473 -121.5669 -95.4421 760510.7294 8.2075 8.2019 PRESSURE: 4026800 -113.59 -165.683 136.766 -165.683 57.5679 141.848 136.766 141.848 38.4989 GPRESSURE: 4026800 -17.2381 -170.717 239.567 -130.277 67.7832 153.43 43.2181 252.489 36.8743 PRESSAVG: 4026800 44.2156 -25.4737 -4.80399 -25.4737 -16.925 -16.6735 -4.804 -16.6735 -4.89614 GPRESSAVG: 4026800 45.6126 -26.3716 -5.55735 -23.7512 -18.0456 -17.0889 -4.69635 -18.0978 -4.98582 TIMING: 4026800 CPU: 12733.3, 0.00315113/step Wall: 12733.3, 0.00315114/step, 0.851857 hours remaining, 237.640625 MB of memory in use. ENERGY: 4026800 3987.5550 20507.4716 14405.0446 256.7017 -203705.4188 2683.9380 0.0000 0.0000 52020.2155 -109844.4923 298.9609 -161864.7078 -109481.4030 299.0656 -5.8409 29.1398 759508.3964 7.4648 7.5271 PRESSURE: 4027000 -280.251 118.787 49.9497 118.786 -90.1717 -260.851 49.9504 -260.851 330.927 GPRESSURE: 4027000 -303.261 -23.4327 -12.8987 156.725 19.3328 -212.773 100.37 -235.754 319.617 PRESSAVG: 4027000 20.9554 -57.7637 11.3386 -57.7638 -11.07 3.0792 11.3386 3.07919 -2.64563 GPRESSAVG: 4027000 21.9705 -57.8161 11.0503 -58.6287 -13.5751 3.78959 14.0178 4.4716 -1.34351 TIMING: 4027000 CPU: 12733.9, 0.00314245/step Wall: 12733.9, 0.00314245/step, 0.849336 hours remaining, 237.640625 MB of memory in use. ENERGY: 4027000 3933.6258 20553.6059 14489.3035 251.3765 -203401.3803 2592.0707 0.0000 0.0000 52043.3361 -109538.0620 299.0938 -161581.3981 -109187.2378 298.9786 -13.1653 11.8962 760313.1016 2.4133 2.3506 PRESSURE: 4027200 277.69 273.237 24.3049 273.237 -321.597 -190.537 24.3054 -190.537 375.968 GPRESSURE: 4027200 312.188 195.021 21.9982 165.56 -235.498 -239.653 -64.7615 -113.942 315.954 PRESSAVG: 4027200 46.9082 -17.5676 -19.7867 -17.5677 -32.8705 -47.0177 -19.7868 -47.0178 -19.6509 GPRESSAVG: 4027200 45.6195 -17.9462 -20.0034 -18.1954 -30.9692 -45.7574 -20.7192 -46.4954 -20.5157 TIMING: 4027200 CPU: 12734.6, 0.00316201/step Wall: 12734.6, 0.00316201/step, 0.854444 hours remaining, 237.640625 MB of memory in use. ENERGY: 4027200 4002.8177 20550.6722 14437.7453 247.8186 -203176.9803 2472.7067 0.0000 0.0000 51929.3275 -109535.8922 298.4386 -161465.2197 -109175.7745 299.4382 110.6868 130.8813 760951.2106 -1.8711 -1.9551 PRESSURE: 4027400 209.431 11.1782 -20.9576 11.179 181.53 -15.1639 -20.9579 -15.1637 500.345 GPRESSURE: 4027400 288.123 11.6225 -55.1465 -21.6836 220.538 100.475 85.7798 -0.84455 470.728 PRESSAVG: 4027400 55.7374 -46.704 12.9098 -46.7041 -74.3351 4.32993 12.9098 4.32987 -10.0599 GPRESSAVG: 4027400 56.7733 -45.7374 14.3334 -46.9665 -75.3983 3.26503 12.0152 3.62267 -9.97378 TIMING: 4027400 CPU: 12735.2, 0.00316209/step Wall: 12735.2, 0.00316209/step, 0.854293 hours remaining, 237.640625 MB of memory in use. ENERGY: 4027400 3965.5478 20410.8432 14354.4149 273.0452 -203234.2147 2488.7128 0.0000 0.0000 52186.7971 -109554.8537 299.9182 -161741.6508 -109186.7206 299.3771 297.1020 326.4629 759550.7575 -9.5525 -9.5329 PRESSURE: 4027600 331.526 -137.437 -16.5627 -137.437 274.464 -139.788 -16.5631 -139.788 247.154 GPRESSURE: 4027600 362.413 -97.263 -95.0176 -226.013 257.77 -224.046 95.1818 -160.374 318.113 PRESSAVG: 4027600 28.5381 -73.8756 -5.79017 -73.8755 -7.05213 -25.9143 -5.79011 -25.9142 -10.4455 GPRESSAVG: 4027600 27.8296 -75.7258 -4.49088 -72.7921 -6.53716 -27.6816 -6.92028 -27.2937 -10.0506 TIMING: 4027600 CPU: 12735.8, 0.0031537/step Wall: 12735.8, 0.0031537/step, 0.851849 hours remaining, 237.640625 MB of memory in use. ENERGY: 4027600 3934.6324 20564.5950 14394.9741 247.4596 -203677.0469 2722.0375 0.0000 0.0000 52041.8377 -109771.5107 299.0852 -161813.3483 -109397.2110 299.0782 284.3814 312.7656 759962.6181 3.6802 3.7473 PRESSURE: 4027800 -526.988 -30.452 6.01064 -30.4514 87.9164 312.884 6.00948 312.885 197.363 GPRESSURE: 4027800 -363.744 -93.6261 16.0068 12.4837 122.364 199.031 -91.7704 245.134 84.658 PRESSAVG: 4027800 -19.5301 -22.4284 -27.7657 -22.4283 14.9821 4.69581 -27.7658 4.6958 -10.7655 GPRESSAVG: 4027800 -18.876 -19.2102 -29.6383 -22.1915 14.1227 5.41102 -26.1467 6.6015 -10.7345 TIMING: 4027800 CPU: 12736.4, 0.00315748/step Wall: 12736.4, 0.00315748/step, 0.852696 hours remaining, 237.640625 MB of memory in use. ENERGY: 4027800 3990.6484 20205.4785 14447.2229 257.7719 -203524.9072 2725.8003 0.0000 0.0000 51991.7224 -109906.2628 298.7971 -161897.9852 -109534.7615 298.4373 -80.5698 -52.2408 759811.0185 -5.1045 -5.1626 PRESSURE: 4028000 -75.5338 38.5998 8.24298 38.5994 -151.936 -139.163 8.24316 -139.162 -232.215 GPRESSURE: 4028000 -35.0868 -1.76175 68.3542 -96.4634 -98.5144 -101.257 -46.23 -51.6449 -221.46 PRESSAVG: 4028000 13.6454 -36.3739 16.5327 -36.3738 7.85269 14.7829 16.5327 14.783 16.2627 GPRESSAVG: 4028000 13.0349 -37.4493 15.7431 -36.7414 7.86749 14.8903 17.0966 15.2556 16.5697 TIMING: 4028000 CPU: 12737.1, 0.00315426/step Wall: 12737.1, 0.00315426/step, 0.851649 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4028000 3943.5042 20442.2069 14376.0964 240.5343 -203228.4897 2433.6266 0.0000 0.0000 51918.7540 -109873.7673 298.3778 -161792.5213 -109505.8353 298.0468 -153.2285 -118.3536 761454.4108 12.5869 12.4907 PRESSURE: 4028200 -152.874 -13.9257 -92.0764 -13.9255 -54.306 62.0157 -92.076 62.0153 -337.988 GPRESSURE: 4028200 -244.151 8.64152 -68.6462 45.9557 76.6326 -10.814 -84.0126 -13.403 -287.097 PRESSAVG: 4028200 7.65136 17.2334 18.5472 17.2334 -15.1307 -38.5001 18.5472 -38.5 -20.2419 GPRESSAVG: 4028200 6.69349 15.109 20.4091 18.0149 -13.6439 -38.6016 17.0831 -38.2057 -20.6837 TIMING: 4028200 CPU: 12737.7, 0.00315416/step Wall: 12737.7, 0.00315416/step, 0.851447 hours remaining, 237.640625 MB of memory in use. ENERGY: 4028200 3967.7665 20406.7536 14421.4921 238.4680 -203460.9254 2623.7016 0.0000 0.0000 52046.7746 -109755.9688 299.1135 -161802.7434 -109387.6314 298.3777 -181.7226 -151.5382 761901.1870 -9.2404 -9.2114 LDB: ============= START OF LOAD BALANCING ============== 12750.1 LDB: ============== END OF LOAD BALANCING =============== 12750.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12750.1 LDB: ============= START OF LOAD BALANCING ============== 12750.4 LDB: Largest compute 7032 load 0.033805 is 17.2% of average load 0.196277 LDB: Average compute 0.004406 is 2.2% of average load 0.196277 LDB: TIME 12750.4 LOAD: AVG 0.196277 MAX 0.212473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 12750.4 LOAD: AVG 0.196277 MAX 0.212473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 12750.4 LOAD: AVG 0.196277 MAX 0.212473 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 12750.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12750.4 PRESSURE: 4028400 56.8053 -92.9448 -89.3077 -92.945 -51.829 -46.5113 -89.3076 -46.512 78.3992 GPRESSURE: 4028400 79.4511 -59.9019 -100.853 -57.2969 -30.12 43.3029 62.5811 11.2297 119.436 PRESSAVG: 4028400 -15.6325 3.2285 -32.2804 3.22854 -3.20599 4.03454 -32.2804 4.03451 30.9542 GPRESSAVG: 4028400 -15.6616 5.10969 -32.6919 4.44321 -4.273 3.9145 -31.7764 3.81425 31.9477 TIMING: 4028400 CPU: 12738.4, 0.00320208/step Wall: 12738.4, 0.00320208/step, 0.864205 hours remaining, 237.949219 MB of memory in use. ENERGY: 4028400 3946.9989 20390.0352 14499.5141 249.0652 -203111.6790 2101.4508 0.0000 0.0000 52157.0517 -109767.5631 299.7473 -161924.6148 -109403.7471 298.7135 27.7918 56.2558 760153.4571 4.0386 4.0043 PRESSURE: 4028600 -171.275 -60.003 -116.355 -60.0028 -128.3 240.203 -116.355 240.202 210.43 GPRESSURE: 4028600 -188.728 -124.478 -124.737 -128.909 -74.9956 307.984 -119.881 132.135 237.114 PRESSAVG: 4028600 3.52771 -13.9861 0.119889 -13.9861 15.6608 -5.36649 0.119878 -5.36647 12.4462 GPRESSAVG: 4028600 4.01806 -14.896 -0.112833 -16.9453 14.9044 -4.22331 0.556113 -7.17861 12.5735 TIMING: 4028600 CPU: 12739, 0.00315493/step Wall: 12739, 0.00315493/step, 0.851305 hours remaining, 237.949219 MB of memory in use. ENERGY: 4028600 3971.4243 20583.9722 14459.5609 244.2532 -203677.1602 2564.8728 0.0000 0.0000 52033.8071 -109819.2698 299.0390 -161853.0769 -109462.2226 298.9233 -29.7148 -8.8698 759917.5923 10.5449 10.4987 PRESSURE: 4028800 183.863 -35.0951 -142.297 -35.0952 185.523 -185.806 -142.296 -185.805 199.16 GPRESSURE: 4028800 276.481 9.68751 -198.896 -138.557 164.932 -132.189 -219.211 -74.358 225.949 PRESSAVG: 4028800 -67.2764 12.2311 -46.3242 12.2312 100.99 16.4546 -46.3242 16.4546 -14.756 GPRESSAVG: 4028800 -66.4882 11.8247 -47.0002 13.8347 101.652 15.7015 -48.0766 18.0477 -15.9871 TIMING: 4028800 CPU: 12739.6, 0.00314979/step Wall: 12739.6, 0.00314979/step, 0.849742 hours remaining, 237.949219 MB of memory in use. ENERGY: 4028800 4010.4930 20528.2667 14433.7333 269.2391 -203838.6393 2793.1807 0.0000 0.0000 51986.9922 -109816.7342 298.7700 -161803.7264 -109460.9729 299.4721 189.5153 222.4539 759304.4380 6.3193 6.3920 PRESSURE: 4029000 -265.158 248.403 -39.2585 248.403 -131.418 -252.633 -39.2589 -252.633 -27.8221 GPRESSURE: 4029000 -280.439 305.602 -19.7883 222.872 -58.8892 -269.045 4.82866 -249.846 -2.58375 PRESSAVG: 4029000 -33.6861 -14.2847 -32.1678 -14.2847 51.4514 -27.3153 -32.1679 -27.3153 22.7061 GPRESSAVG: 4029000 -34.286 -15.1836 -31.469 -14.5243 51.8434 -26.8466 -31.6638 -29.1594 23.1628 TIMING: 4029000 CPU: 12740.2, 0.00314405/step Wall: 12740.2, 0.00314405/step, 0.84802 hours remaining, 237.949219 MB of memory in use. ENERGY: 4029000 3914.3837 20614.9477 14472.0755 268.3570 -203316.1786 2416.7147 0.0000 0.0000 51983.2473 -109646.4528 298.7484 -161629.7000 -109276.6872 299.2625 -141.4658 -113.9708 760730.3773 13.4905 13.5734 PRESSURE: 4029200 -322.991 -45.7728 -11.3667 -45.7724 -32.3629 -8.43492 -11.3665 -8.43366 234.127 GPRESSURE: 4029200 -255.053 -3.27771 -9.60343 26.2079 80.1388 -29.3557 27.8223 72.2456 134.512 PRESSAVG: 4029200 -22.1736 7.91397 11.7532 7.91393 4.37575 -42.4254 11.7533 -42.4254 -31.3882 GPRESSAVG: 4029200 -22.894 10.8827 13.1871 7.58378 4.92622 -44.0802 13.8424 -39.7463 -31.1058 TIMING: 4029200 CPU: 12740.9, 0.00314816/step Wall: 12740.9, 0.00314816/step, 0.848953 hours remaining, 237.949219 MB of memory in use. ENERGY: 4029200 4021.6457 20704.1778 14435.9943 232.6366 -203673.3085 2509.4661 0.0000 0.0000 52150.8406 -109618.5474 299.7116 -161769.3880 -109266.6188 299.2392 -40.4091 -13.4675 761691.1890 -16.3954 -16.3579 PRESSURE: 4029400 -110.274 304.782 67.8517 304.782 -76.3136 43.2024 67.8512 43.2033 -228.441 GPRESSURE: 4029400 -104.342 290.181 11.8841 332.782 27.5636 -38.576 29.8643 29.5776 -256.291 PRESSAVG: 4029400 -26.8531 0.0222213 -10.3623 0.0222598 35.0644 20.5249 -10.3624 20.5249 -10.3675 GPRESSAVG: 4029400 -26.0478 -1.4508 -12.4191 0.0736355 34.1832 20.09 -10.5494 20.1033 -10.5909 TIMING: 4029400 CPU: 12741.5, 0.00316555/step Wall: 12741.5, 0.00316555/step, 0.853468 hours remaining, 237.949219 MB of memory in use. ENERGY: 4029400 3964.0890 20780.4903 14405.7441 236.5182 -203231.1730 2301.8360 0.0000 0.0000 52047.6632 -109494.8323 299.1186 -161542.4955 -109129.5657 299.7531 -138.3429 -111.0230 763470.7798 -0.7187 -0.8185 PRESSURE: 4029600 84.3968 52.4939 184.991 52.4944 71.001 33.5671 184.991 33.5663 -153.312 GPRESSURE: 4029600 106.413 -46.8039 182.616 -143.295 62.8285 159.515 119.319 -13.8853 -90.9672 PRESSAVG: 4029600 -35.8303 -13.2078 22.5847 -13.2078 37.9567 -25.0745 22.5847 -25.0746 7.84317 GPRESSAVG: 4029600 -35.6808 -13.6623 21.918 -13.794 37.1782 -24.4469 21.2444 -23.8313 9.10466 TIMING: 4029600 CPU: 12742.1, 0.00316387/step Wall: 12742.1, 0.00316387/step, 0.852839 hours remaining, 237.949219 MB of memory in use. ENERGY: 4029600 3986.2091 20559.1206 14441.8104 259.2836 -203875.8165 2954.8052 0.0000 0.0000 52190.0219 -109484.5658 299.9368 -161674.5876 -109136.1828 299.1351 0.6952 26.0914 760688.4591 3.3232 3.5340 PRESSURE: 4029800 -79.0312 -170.978 27.516 -170.979 110.116 -31.9469 27.5159 -31.9466 -138.741 GPRESSURE: 4029800 15.0638 -139.373 74.2329 -163.03 144.187 -65.5048 125.501 15.8883 -194.078 PRESSAVG: 4029800 -16.2757 18.7732 -15.8818 18.7731 66.2494 -4.48002 -15.8817 -4.47999 5.97093 GPRESSAVG: 4029800 -15.3108 19.4967 -14.1607 18.0569 67.0769 -3.83933 -15.9403 -6.28907 4.35553 TIMING: 4029800 CPU: 12742.8, 0.00316861/step Wall: 12742.8, 0.00316861/step, 0.853941 hours remaining, 237.949219 MB of memory in use. ENERGY: 4029800 3997.6393 20494.3275 14453.3775 245.0876 -203365.7447 2367.2224 0.0000 0.0000 52024.1765 -109783.9139 298.9837 -161808.0904 -109420.7788 299.2153 -35.8853 -11.6091 760866.7676 18.6482 18.7072 PRESSURE: 4030000 -276.199 -11.1591 69.6471 -11.1599 -187.25 -67.1887 69.647 -67.1889 -428.101 GPRESSURE: 4030000 -228.622 -85.9783 42.1083 63.3892 -95.1615 -56.2982 58.4461 21.4802 -468.681 PRESSAVG: 4030000 11.0484 -28.9085 13.727 -28.9085 -42.7011 -24.4099 13.727 -24.4099 0.969398 GPRESSAVG: 4030000 9.3168 -27.3011 14.4045 -30.2837 -42.1434 -25.8262 13.208 -23.113 2.89506 TIMING: 4030000 CPU: 12743.4, 0.00316558/step Wall: 12743.4, 0.00316558/step, 0.852949 hours remaining, 237.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4030000 4043.8171 20552.2535 14417.5566 250.6744 -203496.8492 2566.2287 0.0000 0.0000 51950.7409 -109715.5780 298.5616 -161666.3190 -109342.5996 298.9260 -297.1835 -264.1549 762397.4950 -10.2277 -9.9772 PRESSURE: 4030200 -56.0173 12.3345 79.7757 12.3351 -189.436 209.54 79.7761 209.54 295.897 GPRESSURE: 4030200 -133.558 41.8856 -42.4445 9.50586 -97.6479 217.682 45.3254 122.911 339.359 PRESSAVG: 4030200 34.8402 -43.394 10.7363 -43.3941 -20.1704 -38.0458 10.7364 -38.0458 14.2843 GPRESSAVG: 4030200 35.0691 -44.4661 7.71478 -41.6659 -20.1587 -35.522 14.0305 -40.489 13.4681 TIMING: 4030200 CPU: 12744, 0.00317088/step Wall: 12744, 0.00317088/step, 0.854201 hours remaining, 237.949219 MB of memory in use. ENERGY: 4030200 4005.8390 20590.8231 14472.9914 247.2690 -203734.2456 2558.2592 0.0000 0.0000 52018.7149 -109840.3490 298.9523 -161859.0639 -109473.2275 298.9879 16.8146 36.0512 760086.5942 9.6514 9.4595 PRESSURE: 4030400 -313.456 -23.5291 193.292 -23.5285 102.069 20.2182 193.291 20.2175 -258.218 GPRESSURE: 4030400 -269.515 -20.3928 215.902 -51.543 123.748 -61.0072 160.849 80.1313 -230.235 PRESSAVG: 4030400 25.6172 -16.2318 7.47369 -16.2317 -36.9027 -7.78946 7.47369 -7.78942 12.1434 GPRESSAVG: 4030400 27.0084 -17.7201 9.50833 -14.8816 -37.9871 -10.7147 5.23679 -3.68408 12.6775 TIMING: 4030400 CPU: 12744.7, 0.00316829/step Wall: 12744.7, 0.00316829/step, 0.853326 hours remaining, 237.949219 MB of memory in use. ENERGY: 4030400 4043.9210 20460.9863 14388.5497 264.0890 -203521.8739 2500.8570 0.0000 0.0000 51828.5774 -110034.8935 297.8595 -161863.4709 -109679.3797 298.5061 -156.5352 -125.3339 760137.2162 0.2860 0.5663 PRESSURE: 4030600 -95.0257 -76.064 55.1872 -76.0646 -64.0001 -127.725 55.1874 -127.724 -101.476 GPRESSURE: 4030600 -117.135 77.2875 112.344 -70.7598 -14.2125 -168.7 -55.6856 -17.0049 -55.6007 PRESSAVG: 4030600 5.39789 7.20347 -76.6669 7.20357 25.2739 29.6456 -76.6669 29.6456 22.8486 GPRESSAVG: 4030600 4.72052 9.65844 -76.0971 5.93772 26.3101 30.93 -77.0953 26.4938 22.5385 TIMING: 4030600 CPU: 12745.3, 0.00317183/step Wall: 12745.3, 0.00317183/step, 0.854102 hours remaining, 237.949219 MB of memory in use. ENERGY: 4030600 4003.8961 20415.9731 14347.6634 235.9310 -203542.1178 2558.7053 0.0000 0.0000 52012.7272 -109967.2217 298.9179 -161979.9488 -109601.3607 298.4357 -86.8339 -62.3160 758867.3682 17.8401 17.8564 PRESSURE: 4030800 101.16 -137.899 33.9788 -137.899 143.575 61.1896 33.9793 61.1908 -150.727 GPRESSURE: 4030800 148.416 -171.331 -7.04077 -115.817 148.546 -43.4039 84.6451 -9.94741 -112.564 PRESSAVG: 4030800 51.1313 -59.7289 48.969 -59.7288 -40.7676 57.2127 48.969 57.2126 6.35823 GPRESSAVG: 4030800 51.6012 -60.8613 48.4364 -61.4862 -40.8997 56.8016 51.6349 56.8093 6.22666 TIMING: 4030800 CPU: 12745.9, 0.00317205/step Wall: 12745.9, 0.00317205/step, 0.853987 hours remaining, 237.949219 MB of memory in use. ENERGY: 4030800 3972.9070 20664.9081 14379.7419 234.3843 -203815.2794 2917.6911 0.0000 0.0000 51909.4712 -109736.1758 298.3244 -161645.6470 -109381.4859 298.6482 31.3363 61.4660 760521.2002 5.5740 5.6427 PRESSURE: 4031000 285.564 -3.39927 123.146 -3.39909 368.934 86.6334 123.147 86.6331 -199.527 GPRESSURE: 4031000 387.563 -165.279 170.919 -13.7968 325.43 112.134 9.50558 211.041 -176.589 PRESSAVG: 4031000 -4.17872 -61.6615 -11.9008 -61.6615 -40.2052 14.1138 -11.9008 14.1137 2.14891 GPRESSAVG: 4031000 -4.96348 -62.8724 -10.2009 -57.9223 -40.1343 13.5577 -13.0236 13.0457 3.11168 TIMING: 4031000 CPU: 12746.6, 0.00317413/step Wall: 12746.6, 0.00317413/step, 0.854369 hours remaining, 237.949219 MB of memory in use. ENERGY: 4031000 3828.1964 20518.7384 14427.1596 264.1309 -203409.7375 2646.2389 0.0000 0.0000 51977.9404 -109747.3329 298.7179 -161725.2733 -109377.0240 299.2863 151.6571 178.8014 759658.2531 -14.0783 -13.9954 PRESSURE: 4031200 -14.2009 -183.907 46.3541 -183.908 -291.733 -1.34387 46.354 -1.34315 257.969 GPRESSURE: 4031200 -17.2788 -120.18 25.9271 -155.147 -240.076 33.4112 14.3917 90.4492 286.971 PRESSAVG: 4031200 -1.76719 -73.3885 -13.6371 -73.3885 -71.2504 -54.5247 -13.637 -54.5246 -9.09412 GPRESSAVG: 4031200 -0.925574 -72.8402 -15.7533 -75.2397 -71.6029 -54.3469 -14.4994 -52.1834 -9.56635 TIMING: 4031200 CPU: 12747.2, 0.00316746/step Wall: 12747.2, 0.00316746/step, 0.8524 hours remaining, 237.949219 MB of memory in use. ENERGY: 4031200 3936.9384 20424.1010 14342.8326 236.6173 -203111.6529 2468.4683 0.0000 0.0000 51956.5922 -109746.1031 298.5952 -161702.6953 -109383.5796 298.9658 -15.9883 9.8721 763092.5611 -27.3706 -27.3649 PRESSURE: 4031400 91.8944 -399.561 129.775 -399.561 110.977 -135.542 129.775 -135.543 -209.895 GPRESSURE: 4031400 110.77 -363.075 62.1754 -379.746 113.361 -97.8647 48.3467 -110.652 -154.573 PRESSAVG: 4031400 31.4207 -62.7078 28.0623 -62.7078 -47.7565 -7.2338 28.0622 -7.23377 8.26663 GPRESSAVG: 4031400 30.8516 -61.9288 26.7859 -61.9589 -47.1141 -8.40958 29.0951 -5.55128 8.69533 TIMING: 4031400 CPU: 12747.8, 0.00317536/step Wall: 12747.8, 0.00317536/step, 0.854349 hours remaining, 237.949219 MB of memory in use. ENERGY: 4031400 4043.7992 20342.4416 14368.6848 263.1831 -203594.3217 2690.5278 0.0000 0.0000 52215.4669 -109670.2183 300.0830 -161885.6851 -109313.9932 299.0873 -2.3413 23.1860 761729.6870 -2.6897 -2.5224 PRESSURE: 4031600 46.8207 -146.22 -168.259 -146.22 482.063 84.9127 -168.26 84.9134 123.519 GPRESSURE: 4031600 173.256 -57.4046 -159.656 -282.516 453.546 60.2167 -158.74 63.0059 87.7603 PRESSAVG: 4031600 7.68309 -58.6833 21.4284 -58.6833 -5.79353 53.2442 21.4284 53.2441 -31.6344 GPRESSAVG: 4031600 8.42204 -57.7177 22.2658 -60.2779 -5.82698 55.1649 20.7238 53.2138 -32.2111 TIMING: 4031600 CPU: 12748.5, 0.00319088/step Wall: 12748.5, 0.00319088/step, 0.858348 hours remaining, 237.949219 MB of memory in use. ENERGY: 4031600 3997.0411 20597.3167 14354.7188 258.2952 -203361.2950 2683.9453 0.0000 0.0000 51708.1400 -109761.8380 297.1674 -161469.9780 -109413.4430 298.8310 217.4673 238.1872 762186.4951 -9.9149 -9.8720 PRESSURE: 4031800 -258.324 89.3415 63.1428 89.3407 -295.289 51.9101 63.1428 51.9098 -157.713 GPRESSURE: 4031800 -199.413 104.406 75.3543 165.364 -256.419 -3.19816 -17.6572 60.1138 -158.688 PRESSAVG: 4031800 0.281105 -76.4437 -4.21009 -76.4437 -17.4304 29.599 -4.21009 29.599 -4.94255 GPRESSAVG: 4031800 0.224936 -78.7308 -2.57004 -74.5101 -18.3141 29.7554 -5.90015 27.3586 -3.47758 TIMING: 4031800 CPU: 12749.1, 0.00318552/step Wall: 12749.1, 0.00318552/step, 0.856727 hours remaining, 237.949219 MB of memory in use. ENERGY: 4031800 4006.5883 20427.5530 14371.6159 266.9493 -203238.1345 2479.2301 0.0000 0.0000 51991.3532 -109694.8447 298.7950 -161686.1979 -109336.0031 298.7987 -237.1085 -204.8400 762816.0922 -7.3639 -7.1889 PRESSURE: 4032000 -65.0726 119.692 -13.165 119.692 -103.55 182.331 -13.1649 182.329 233.423 GPRESSURE: 4032000 4.77648 196.899 -0.331278 79.1502 7.59817 220.894 91.5621 325.601 137.63 PRESSAVG: 4032000 27.1579 -46.9135 40.8407 -46.9135 -7.18477 -8.90212 40.8407 -8.90224 -7.3785 GPRESSAVG: 4032000 26.7915 -44.6307 39.1035 -48.1082 -6.70218 -9.21606 42.143 -6.59836 -7.71585 TIMING: 4032000 CPU: 12749.8, 0.00316993/step Wall: 12749.8, 0.00316993/step, 0.852359 hours remaining, 237.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4032000 3958.5913 20536.1471 14391.9539 250.5894 -203506.2596 2717.2153 0.0000 0.0000 52067.7001 -109584.0625 299.2338 -161651.7626 -109233.7594 298.6515 21.6001 50.0014 760747.2631 4.1982 4.1245 PRESSURE: 4032200 -173.842 -116.298 -166.401 -116.299 -137.563 -73.0779 -166.4 -73.0773 -123.7 GPRESSURE: 4032200 -134.696 -80.5955 -148.224 -4.40152 -108.596 -27.8645 -86.3015 -25.9374 -108.025 PRESSAVG: 4032200 56.7095 -29.1341 16.6261 -29.1341 -30.6773 -59.7294 16.6261 -59.7294 -3.08879 GPRESSAVG: 4032200 57.14 -29.0823 16.8712 -27.4921 -29.895 -59.5187 18.7138 -58.6276 -4.14177 TIMING: 4032200 CPU: 12750.4, 0.00320824/step Wall: 12750.4, 0.00320824/step, 0.862481 hours remaining, 237.949219 MB of memory in use. ENERGY: 4032200 3970.0502 20447.6114 14438.2723 237.6233 -202986.0106 2335.0031 0.0000 0.0000 52072.1105 -109485.3399 299.2591 -161557.4504 -109111.2428 298.9568 -145.0349 -117.1056 762064.5729 7.6478 7.7011 LDB: ============= START OF LOAD BALANCING ============== 12762.8 LDB: ============== END OF LOAD BALANCING =============== 12762.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12762.8 LDB: ============= START OF LOAD BALANCING ============== 12763.1 LDB: Largest compute 7031 load 0.034584 is 17.6% of average load 0.196114 LDB: Average compute 0.004419 is 2.3% of average load 0.196114 LDB: TIME 12763.1 LOAD: AVG 0.196114 MAX 0.214088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.695 MB LDB: TIME 12763.1 LOAD: AVG 0.196114 MAX 0.214088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 12763.1 LOAD: AVG 0.196114 MAX 0.214088 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 12763.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12763.1 PRESSURE: 4032400 113.198 -97.1268 -24.1732 -97.127 465.728 162.26 -24.1741 162.26 130.124 GPRESSURE: 4032400 153.269 -125.75 -108.754 -58.6106 479.346 205.489 -28.6497 59.8759 146.106 PRESSAVG: 4032400 0.454863 -39.6055 8.91577 -39.6055 -18.2518 -5.95479 8.91576 -5.95477 -10.4063 GPRESSAVG: 4032400 0.278954 -41.1796 8.43896 -40.6901 -17.8983 -5.13649 6.7272 -10.3385 -10.195 TIMING: 4032400 CPU: 12751, 0.0032611/step Wall: 12751, 0.0032611/step, 0.876512 hours remaining, 237.699219 MB of memory in use. ENERGY: 4032400 3978.0041 20388.9873 14409.2113 247.5400 -203254.2783 2644.6140 0.0000 0.0000 52190.8155 -109395.1061 299.9413 -161585.9216 -109038.4955 299.7984 236.3501 259.5737 760876.6143 -9.4011 -9.2715 PRESSURE: 4032600 -147.316 178.357 -140.896 178.357 -93.8342 124.766 -140.895 124.766 110.79 GPRESSURE: 4032600 -26.5171 146.957 -166.077 135.815 -133.526 149.599 -123.429 99.1863 96.1529 PRESSAVG: 4032600 -14.379 -46.1023 -48.406 -46.1023 39.8593 -15.8891 -48.406 -15.889 27.9436 GPRESSAVG: 4032600 -14.089 -47.3441 -46.5444 -44.0946 38.8886 -17.1717 -48.7152 -15.1812 28.5802 TIMING: 4032600 CPU: 12751.7, 0.00316197/step Wall: 12751.7, 0.00316197/step, 0.849692 hours remaining, 237.699219 MB of memory in use. ENERGY: 4032600 3987.5985 20494.7410 14394.8116 254.7802 -203607.8056 2718.8032 0.0000 0.0000 52192.1063 -109564.9647 299.9488 -161757.0710 -109189.1765 299.6343 -43.4532 -21.2968 762599.2325 17.8080 17.7933 PRESSURE: 4032800 79.6153 71.829 -4.36887 71.8289 -59.4059 63.8159 -4.36874 63.8148 -1.52835 GPRESSURE: 4032800 125.517 42.9417 59.9183 -0.0143438 -7.66109 52.3754 57.9446 -0.0384592 -8.65643 PRESSAVG: 4032800 -19.7519 21.1521 2.54953 21.1521 18.5788 48.4089 2.5495 48.4089 -10.693 GPRESSAVG: 4032800 -19.3728 20.1846 2.24889 18.4735 16.9785 48.5781 3.74772 49.0188 -9.71287 TIMING: 4032800 CPU: 12752.3, 0.00315507/step Wall: 12752.3, 0.00315507/step, 0.847661 hours remaining, 237.699219 MB of memory in use. ENERGY: 4032800 4042.9615 20626.6002 14298.2686 263.4493 -203555.0345 2558.7964 0.0000 0.0000 51924.5662 -109840.3923 298.4112 -161764.9585 -109474.0778 299.5005 6.2270 36.3998 759009.5523 -3.9553 -4.0357 PRESSURE: 4033000 242.689 -133.4 27.7705 -133.4 390.39 -23.3633 27.771 -23.3631 -175.916 GPRESSURE: 4033000 277.933 -29.7421 9.04652 -70.2563 413.687 3.84926 -57.5586 -41.6206 -133.574 PRESSAVG: 4033000 -16.3179 2.09523 6.84122 2.09518 33.9681 7.05622 6.8411 7.05618 23.8577 GPRESSAVG: 4033000 -16.2373 2.52181 7.82946 4.94632 35.8208 7.33757 3.62628 7.43852 22.0299 TIMING: 4033000 CPU: 12752.9, 0.00317534/step Wall: 12752.9, 0.00317534/step, 0.852931 hours remaining, 237.699219 MB of memory in use. ENERGY: 4033000 3988.8246 20329.7144 14462.9945 251.7359 -203653.5769 2752.0093 0.0000 0.0000 52041.4620 -109826.8364 299.0830 -161868.2983 -109459.4269 299.0701 152.3877 186.0149 759461.1591 13.8360 13.8711 PRESSURE: 4033200 179.338 125.812 14.9871 125.812 -102.434 24.8809 14.9877 24.8813 43.5326 GPRESSURE: 4033200 188.578 65.7538 35.3145 136.465 18.7201 22.8876 49.186 -31.8758 -1.31937 PRESSAVG: 4033200 -6.82846 17.1968 -28.7514 17.1968 -2.28071 26.1174 -28.7514 26.1173 -30.5373 GPRESSAVG: 4033200 -8.12237 19.6557 -29.0944 14.6607 -2.2203 26.2792 -26.6988 24.9276 -29.8124 TIMING: 4033200 CPU: 12753.6, 0.00320181/step Wall: 12753.6, 0.00320181/step, 0.859864 hours remaining, 237.699219 MB of memory in use. ENERGY: 4033200 3947.3702 20425.8847 14410.4968 253.8644 -203495.0993 2598.6503 0.0000 0.0000 51952.1843 -109906.6487 298.5699 -161858.8330 -109539.7083 298.6296 40.1454 68.6596 761178.3261 -13.2155 -13.3850 PRESSURE: 4033400 -14.4078 -107.005 -13.4012 -107.006 -425.789 69.3155 -13.4022 69.3158 -462.239 GPRESSURE: 4033400 -78.5289 -53.9609 -51.4843 -241.215 -237.727 112.47 -23.4684 -96.3042 -511.015 PRESSAVG: 4033400 3.67798 -29.8761 -55.6091 -29.8761 -41.8155 20.3454 -55.6091 20.3454 19.8879 GPRESSAVG: 4033400 4.31865 -30.1838 -57.1701 -27.229 -41.6082 20.3702 -55.0076 19.9356 19.3786 TIMING: 4033400 CPU: 12754.2, 0.00318328/step Wall: 12754.2, 0.00318328/step, 0.854709 hours remaining, 237.699219 MB of memory in use. ENERGY: 4033400 3974.2374 20552.1054 14428.5075 234.4426 -203360.7179 2337.0895 0.0000 0.0000 51862.9649 -109971.3706 298.0572 -161834.3354 -109624.6471 298.4080 -300.8119 -275.7569 760771.3816 -6.0832 -5.9703 PRESSURE: 4033600 26.7238 -3.37967 7.82318 -3.38076 -152.013 67.3815 7.82298 67.3819 245.212 GPRESSURE: 4033600 136.495 87.0433 0.276466 -35.78 -142.811 97.1099 46.5052 86.0645 210.496 PRESSAVG: 4033600 68.5414 -4.35016 -15.9208 -4.35022 -30.9848 23.5181 -15.9208 23.5181 8.49925 GPRESSAVG: 4033600 68.6741 -5.45514 -16.8983 -5.25278 -31.2021 22.6642 -16.2344 24.2349 8.94375 TIMING: 4033600 CPU: 12754.9, 0.00317939/step Wall: 12754.9, 0.00317939/step, 0.85349 hours remaining, 237.699219 MB of memory in use. ENERGY: 4033600 4003.0795 20501.2570 14399.8245 247.7784 -203696.7551 2459.7589 0.0000 0.0000 52005.2585 -110079.7984 298.8749 -162085.0568 -109716.6770 298.6160 39.9741 68.0603 760371.3555 15.3519 15.4719 PRESSURE: 4033800 -21.7947 19.8572 -117.208 19.8575 253.167 -33.5334 -117.209 -33.5327 117.22 GPRESSURE: 4033800 60.0918 -65.7496 -174.639 57.0004 338.137 -62.6193 -24.6265 8.34519 42.0228 PRESSAVG: 4033800 4.56483 -39.6204 -26.9424 -39.6204 18.3739 41.9698 -26.9424 41.9699 36.9443 GPRESSAVG: 4033800 5.74878 -39.2513 -24.9519 -39.6563 16.9713 44.0163 -27.8346 44.1966 36.3424 TIMING: 4033800 CPU: 12755.5, 0.00316634/step Wall: 12755.5, 0.00316634/step, 0.849811 hours remaining, 237.699219 MB of memory in use. ENERGY: 4033800 3951.9002 20471.3290 14426.6372 243.3011 -204122.8297 3013.6335 0.0000 0.0000 51897.7398 -110118.2891 298.2570 -162016.0289 -109754.7889 298.1215 116.1974 146.7507 760715.0294 19.9610 19.6875 PRESSURE: 4034000 -185.747 41.9431 86.0006 41.9438 -188.641 -325.551 86.001 -325.55 228.385 GPRESSURE: 4034000 -82.7007 42.2912 143.445 88.124 -227.232 -277.887 14.7643 -287.745 257.976 PRESSAVG: 4034000 75.2313 -37.6145 -6.35841 -37.6144 -101.965 -31.2408 -6.35843 -31.2407 -19.2612 GPRESSAVG: 4034000 74.5703 -38.0076 -4.88493 -38.0381 -100.613 -33.753 -5.27067 -31.1982 -19.8676 TIMING: 4034000 CPU: 12756.1, 0.00318128/step Wall: 12756.1, 0.00318128/step, 0.853643 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4034000 3911.8422 20348.9523 14347.2679 239.0760 -203753.1419 2768.2608 0.0000 0.0000 51880.1990 -110257.5437 298.1562 -162137.7427 -109901.9057 297.9323 -48.6678 -17.3188 760950.9588 -15.3315 -15.3033 PRESSURE: 4034200 35.5211 94.8314 -187.152 94.8323 -310.944 281.4 -187.152 281.4 156.752 GPRESSURE: 4034200 94.2058 -0.965584 -165.322 48.0123 -301.661 257.969 -290.941 295.93 179.006 PRESSAVG: 4034200 60.1597 -20.272 -13.5192 -20.272 -51.9787 13.2722 -13.5191 13.2723 1.49379 GPRESSAVG: 4034200 59.4795 -19.8432 -14.4309 -20.2189 -52.156 14.3045 -13.8849 14.1994 2.49106 TIMING: 4034200 CPU: 12756.8, 0.00318791/step Wall: 12756.8, 0.00318791/step, 0.855246 hours remaining, 237.699219 MB of memory in use. ENERGY: 4034200 3995.4806 20453.1163 14311.5466 243.3191 -203808.2253 2633.6491 0.0000 0.0000 52163.8411 -110007.2726 299.7863 -162171.1136 -109646.6234 298.4542 -39.5568 -9.4831 761381.2679 3.2249 3.2715 PRESSURE: 4034400 -234.091 147.417 -88.8789 147.417 12.2381 48.3356 -88.8788 48.3365 -44.2028 GPRESSURE: 4034400 -240.952 79.1496 -87.2185 72.9487 65.8885 26.3767 3.59012 11.5549 1.99093 PRESSAVG: 4034400 5.08962 25.6756 -20.3378 25.6756 -31.9501 -22.4954 -20.3378 -22.4954 -2.43584 GPRESSAVG: 4034400 5.98484 25.7538 -21.1172 24.2121 -31.6379 -24.7409 -19.965 -23.7117 -2.98392 TIMING: 4034400 CPU: 12757.4, 0.00317306/step Wall: 12757.4, 0.00317306/step, 0.851084 hours remaining, 237.699219 MB of memory in use. ENERGY: 4034400 4035.6769 20494.6303 14420.6790 253.2392 -203611.8432 2623.1570 0.0000 0.0000 51835.1450 -109949.3158 297.8973 -161784.4608 -109604.7524 298.4923 -88.6851 -57.6907 761352.2560 -9.7654 -9.5456 PRESSURE: 4034600 2.38214 -281.323 -84.2574 -281.324 -139.656 7.09946 -84.258 7.09997 289.992 GPRESSURE: 4034600 27.3258 -110.402 21.6249 -249.93 -81.6556 -52.2258 -1.94087 -40.9079 307.353 PRESSAVG: 4034600 -25.6275 -6.50065 -19.3792 -6.50062 -3.34438 -62.4036 -19.3791 -62.4035 3.45097 GPRESSAVG: 4034600 -25.8865 -6.06003 -17.4887 -4.49338 -2.2675 -60.9985 -18.5365 -62.7943 3.18712 TIMING: 4034600 CPU: 12758, 0.00317472/step Wall: 12758, 0.00317472/step, 0.851355 hours remaining, 237.699219 MB of memory in use. ENERGY: 4034600 4001.4479 20517.2794 14425.8791 246.7293 -203906.4530 2943.6020 0.0000 0.0000 51861.0166 -109910.4986 298.0460 -161771.5152 -109556.2459 298.8331 50.9061 84.3411 760456.6251 -8.5070 -8.3223 PRESSURE: 4034800 -284.914 68.1755 -117.044 68.1765 -183.072 -231.032 -117.042 -231.032 -311.691 GPRESSURE: 4034800 -233.386 -29.087 -90.2958 -76.7359 -136.767 -225.542 -228.108 -253.864 -304.562 PRESSAVG: 4034800 43.0258 -23.9773 -28.0354 -23.9773 1.73227 -30.3899 -28.0354 -30.39 -30.389 GPRESSAVG: 4034800 43.0335 -26.3086 -29.52 -24.3591 0.617425 -29.5062 -29.8488 -31.1295 -29.6874 TIMING: 4034800 CPU: 12758.7, 0.00317498/step Wall: 12758.7, 0.00317498/step, 0.851247 hours remaining, 237.699219 MB of memory in use. ENERGY: 4034800 4019.9023 20501.7920 14431.5569 251.5259 -203662.9573 2667.7092 0.0000 0.0000 51869.1653 -109921.3058 298.0928 -161790.4710 -109558.3365 298.7441 -259.8922 -224.9050 761990.0515 4.7897 4.6545 PRESSURE: 4035000 289.865 -242.227 -0.381372 -242.227 367.849 -284.379 -0.381551 -284.377 272.581 GPRESSURE: 4035000 311.763 -141.149 -21.8025 -233.015 409.346 -217.21 266.06 -133.251 305.343 PRESSAVG: 4035000 -18.2963 27.7249 -55.2333 27.7249 36.3024 1.85569 -55.2333 1.85572 22.9179 GPRESSAVG: 4035000 -18.5538 27.9799 -55.5281 28.2128 35.9089 1.03032 -52.5099 1.24936 23.7096 TIMING: 4035000 CPU: 12759.3, 0.00318291/step Wall: 12759.3, 0.00318291/step, 0.853197 hours remaining, 237.699219 MB of memory in use. ENERGY: 4035000 3935.0382 20461.5723 14434.3668 246.7846 -204274.7281 3325.7540 0.0000 0.0000 51840.7244 -110030.4878 297.9294 -161871.2122 -109678.0923 298.6794 310.0984 342.1508 761928.9808 13.6413 13.6882 PRESSURE: 4035200 -43.0423 -129.892 300.922 -129.892 320.985 295.327 300.921 295.326 96.3063 GPRESSURE: 4035200 61.0448 -192.558 331.548 -27.6487 311.796 254.308 333.975 164.95 88.0597 PRESSAVG: 4035200 -62.2961 -26.5388 16.5815 -26.5388 64.8442 -12.6978 16.5815 -12.6978 -26.2704 GPRESSAVG: 4035200 -61.3623 -25.8316 17.4001 -28.0621 65.0371 -12.1877 16.8557 -11.4381 -27.6797 TIMING: 4035200 CPU: 12759.9, 0.00317675/step Wall: 12759.9, 0.00317675/step, 0.851369 hours remaining, 237.699219 MB of memory in use. ENERGY: 4035200 3961.6729 20664.6763 14458.0928 251.9348 -203767.7782 2891.3252 0.0000 0.0000 51751.9477 -109788.1285 297.4192 -161540.0761 -109430.8205 298.3975 124.7496 153.6336 762032.3504 -7.9074 -8.0016 PRESSURE: 4035400 331.759 -215.45 109.264 -215.451 -115.193 -188.226 109.264 -188.225 45.2215 GPRESSURE: 4035400 253.755 -192.935 178.765 -216.716 -2.63936 -249.796 -122.904 -146.378 78.7741 PRESSAVG: 4035400 17.3573 -14.7661 23.4481 -14.7661 4.01408 29.3596 23.4481 29.3596 4.57477 GPRESSAVG: 4035400 17.2894 -13.7129 22.2355 -15.34 3.35931 30.0429 21.3922 28.4441 5.4339 TIMING: 4035400 CPU: 12760.6, 0.00316655/step Wall: 12760.6, 0.00316655/step, 0.848459 hours remaining, 237.699219 MB of memory in use. ENERGY: 4035400 4070.1947 20369.2238 14380.2032 244.6305 -204053.8168 3047.8397 0.0000 0.0000 51937.5724 -110004.1526 298.4859 -161941.7250 -109643.5805 298.8216 87.2625 109.9633 761786.9690 8.6487 8.6942 PRESSURE: 4035600 -570.839 -204.957 31.4089 -204.958 73.2375 -189.999 31.4088 -189.999 -142.693 GPRESSURE: 4035600 -520.996 -188.125 -59.8972 -79.2669 76.406 -228.62 25.3777 -88.8547 -97.0746 PRESSAVG: 4035600 7.97717 -45.7132 -1.60326 -45.7131 -18.4186 -20.6253 -1.6033 -20.6253 1.79444 GPRESSAVG: 4035600 7.41913 -47.1512 -0.468877 -43.4217 -17.5704 -20.7096 -2.32874 -20.3992 1.2086 TIMING: 4035600 CPU: 12761.2, 0.00319645/step Wall: 12761.2, 0.00319645/step, 0.856293 hours remaining, 237.699219 MB of memory in use. ENERGY: 4035600 3917.8855 20504.2956 14369.7833 245.9377 -203454.1860 2580.0538 0.0000 0.0000 51733.7271 -110102.5029 297.3144 -161836.2300 -109748.1282 298.0238 -213.4316 -180.5549 760886.2525 -2.8823 -2.9809 PRESSURE: 4035800 -452.528 -128.191 65.2001 -128.192 -354.799 99.0322 65.1998 99.032 -162.605 GPRESSURE: 4035800 -351.437 -55.5276 82.931 -71.0491 -372.883 136.153 -30.3712 198.892 -166.009 PRESSAVG: 4035800 17.6649 -16.1761 58.5992 -16.1762 14.3851 3.64811 58.5993 3.64815 24.8182 GPRESSAVG: 4035800 18.5972 -15.1553 58.2504 -17.2918 12.6936 3.58414 60.3818 3.6115 25.3326 TIMING: 4035800 CPU: 12761.9, 0.00319089/step Wall: 12761.9, 0.00319089/step, 0.854628 hours remaining, 237.699219 MB of memory in use. ENERGY: 4035800 4011.7519 20436.4412 14333.1280 233.3013 -202961.5231 2278.7171 0.0000 0.0000 51894.1788 -109774.0048 298.2366 -161668.1836 -109415.6818 298.2377 -323.3105 -296.7763 763113.4559 18.9561 18.8745 PRESSURE: 4036000 120.441 155.158 150.28 155.158 307.717 -144.302 150.28 -144.302 74.5073 GPRESSURE: 4036000 257.606 111.939 254.908 105.483 301.292 -136.562 200.791 -135.105 35.3902 PRESSAVG: 4036000 -39.2575 10.4195 -23.7027 10.4195 -20.9502 -1.35228 -23.7028 -1.35219 9.67205 GPRESSAVG: 4036000 -40.0855 11.4247 -22.8113 9.59183 -19.8553 -1.08971 -25.4968 -2.81603 9.01969 TIMING: 4036000 CPU: 12762.5, 0.00318283/step Wall: 12762.5, 0.00318283/step, 0.852292 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4036000 3926.4176 20668.2294 14404.4947 243.2203 -203617.1637 2918.9388 0.0000 0.0000 51764.3903 -109691.4725 297.4907 -161455.8628 -109329.3099 298.4759 167.5551 198.0958 761866.3226 -16.8452 -16.9737 PRESSURE: 4036200 56.0016 -15.6729 -96.524 -15.6733 23.9277 104.789 -96.523 104.79 -286.661 GPRESSURE: 4036200 130.975 -205.702 -104.073 -91.416 84.6684 -10.9577 -73.0927 83.9313 -333.34 PRESSAVG: 4036200 6.39485 8.90319 -8.45727 8.90316 -13.2986 3.32144 -8.45725 3.32145 1.74855 GPRESSAVG: 4036200 6.09261 7.73211 -9.62747 8.46559 -13.7877 3.69149 -5.98848 2.68332 2.4644 TIMING: 4036200 CPU: 12763.1, 0.00324272/step Wall: 12763.1, 0.00324272/step, 0.868148 hours remaining, 237.699219 MB of memory in use. ENERGY: 4036200 3913.5912 20572.4261 14351.1351 245.4989 -203393.4369 2730.8018 0.0000 0.0000 52104.7671 -109475.2168 299.4468 -161579.9838 -109101.5230 298.9680 -68.9105 -39.2325 761552.4915 -1.7184 -1.7436 LDB: ============= START OF LOAD BALANCING ============== 12775.5 LDB: ============== END OF LOAD BALANCING =============== 12775.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12775.5 LDB: ============= START OF LOAD BALANCING ============== 12775.9 LDB: Largest compute 7031 load 0.032587 is 16.6% of average load 0.196176 LDB: Average compute 0.004378 is 2.2% of average load 0.196176 LDB: TIME 12775.9 LOAD: AVG 0.196176 MAX 0.215528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 12775.9 LOAD: AVG 0.196176 MAX 0.215528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 12775.9 LOAD: AVG 0.196176 MAX 0.215528 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 12775.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12775.9 PRESSURE: 4036400 44.364 49.2809 -100.579 49.281 -39.2212 -96.034 -100.579 -96.0351 -276.85 GPRESSURE: 4036400 81.0607 118.622 -140.426 196.043 -43.2234 -153.712 0.906199 -120.241 -235.98 PRESSAVG: 4036400 22.9733 -4.51735 -40.3674 -4.51729 -15.1802 -26.3672 -40.3674 -26.3673 -4.56088 GPRESSAVG: 4036400 24.2339 -5.52049 -39.8837 -3.3977 -15.5702 -27.2151 -42.4019 -23.8374 -5.87872 TIMING: 4036400 CPU: 12763.8, 0.00327604/step Wall: 12763.8, 0.00327604/step, 0.876886 hours remaining, 237.902344 MB of memory in use. ENERGY: 4036400 3984.3797 20576.3577 14400.0412 248.1069 -203075.0825 2459.7372 0.0000 0.0000 52124.1431 -109282.3167 299.5582 -161406.4598 -108910.3096 299.3376 -90.5689 -66.0474 763850.0809 1.0774 0.9283 PRESSURE: 4036600 -186.125 34.3955 -65.4385 34.3962 -418.832 -131.791 -65.4387 -131.792 -78.4801 GPRESSURE: 4036600 -138.661 24.1686 -33.7997 66.5561 -386.315 -130.565 -37.0114 -140.398 -66.2399 PRESSAVG: 4036600 -24.5376 43.8851 5.11842 43.885 4.73629 16.4467 5.11843 16.4467 12.2695 GPRESSAVG: 4036600 -26.0687 47.5625 4.69257 42.357 6.12459 17.6316 4.27018 16.6597 12.7054 TIMING: 4036600 CPU: 12764.4, 0.00315325/step Wall: 12764.4, 0.00315325/step, 0.843843 hours remaining, 237.902344 MB of memory in use. ENERGY: 4036600 4058.8741 20366.1626 14396.8741 267.4096 -202942.9536 2343.7159 0.0000 0.0000 52294.1409 -109215.7763 300.5351 -161509.9173 -108851.9151 300.0325 -227.8126 -197.0720 762070.3153 -2.5106 -2.4129 PRESSURE: 4036800 12.3269 -28.6417 -42.8844 -28.6421 242.594 347.955 -42.885 347.955 319.699 GPRESSURE: 4036800 130.83 -62.398 6.79268 -17.2424 250.985 292.844 52.1147 396.689 293.342 PRESSAVG: 4036800 -7.03682 -25.3871 -47.195 -25.387 -10.3737 -4.07267 -47.195 -4.07274 21.2227 GPRESSAVG: 4036800 -7.03824 -29.0612 -46.4314 -23.7743 -11.1435 -4.68574 -45.334 -5.41619 22.5946 TIMING: 4036800 CPU: 12765.1, 0.00317914/step Wall: 12765.1, 0.00317914/step, 0.850596 hours remaining, 237.902344 MB of memory in use. ENERGY: 4036800 3961.5237 20588.6385 14448.6218 279.7010 -203539.3494 2948.5024 0.0000 0.0000 52135.7798 -109176.5823 299.6250 -161312.3620 -108812.3006 300.0744 191.5399 225.0522 762874.5592 1.2707 1.4709 PRESSURE: 4037000 -165.782 95.6566 73.9191 95.6566 -173.275 -308.604 73.9195 -308.604 -15.5043 GPRESSURE: 4037000 -137.356 120.16 99.4935 36.0054 -143.985 -268.451 -58.2733 -226.829 -1.91637 PRESSAVG: 4037000 -26.4425 -33.8576 -47.0214 -33.8576 -30.7603 -22.2277 -47.0213 -22.2276 -23.8164 GPRESSAVG: 4037000 -25.521 -34.1732 -48.1152 -33.6868 -31.5676 -22.6223 -46.9408 -21.371 -24.1044 TIMING: 4037000 CPU: 12765.7, 0.00319951/step Wall: 12765.7, 0.00319951/step, 0.855869 hours remaining, 237.902344 MB of memory in use. ENERGY: 4037000 3988.6920 20630.8879 14414.1230 238.4961 -203036.6755 2450.9638 0.0000 0.0000 52123.6096 -109189.9031 299.5551 -161313.5127 -108828.6650 299.4252 -118.1869 -94.4191 763879.7523 -27.0064 -27.0643 PRESSURE: 4037200 -337.904 -144.579 211.386 -144.579 -99.0455 171.034 211.386 171.034 -102.488 GPRESSURE: 4037200 -215.734 -116.552 190.198 -41.8301 -103.454 85.8334 117.473 190.513 -141.868 PRESSAVG: 4037200 -16.4291 -11.2586 -16.8649 -11.2585 -23.1075 -60.0887 -16.8649 -60.0888 18.4106 GPRESSAVG: 4037200 -17.1905 -9.11595 -15.8065 -11.6936 -22.2988 -61.1199 -18.5922 -60.7854 18.562 TIMING: 4037200 CPU: 12766.3, 0.00316621/step Wall: 12766.3, 0.00316621/step, 0.846785 hours remaining, 237.902344 MB of memory in use. ENERGY: 4037200 3916.1068 20451.2765 14375.2397 254.9339 -203083.3766 2491.0411 0.0000 0.0000 52210.0116 -109384.7670 300.0517 -161594.7786 -109025.0509 299.5106 -179.8126 -153.6854 761820.0432 -7.0420 -6.9758 PRESSURE: 4037400 178.525 -49.9825 -319.417 -49.9825 81.1922 -268.95 -319.417 -268.951 128.718 GPRESSURE: 4037400 198.453 -68.5893 -260.582 27.9032 148.131 -276.698 -270.691 -294.686 124.131 PRESSAVG: 4037400 22.1952 -0.413499 -35.8077 -0.413429 -18.0819 -37.2635 -35.8077 -37.2635 -4.99902 GPRESSAVG: 4037400 23.0804 -0.117588 -37.6957 1.02632 -17.7742 -36.194 -35.6252 -35.7486 -5.887 TIMING: 4037400 CPU: 12767, 0.00317017/step Wall: 12767, 0.00317017/step, 0.847669 hours remaining, 237.902344 MB of memory in use. ENERGY: 4037400 4020.8754 20414.9594 14337.2468 245.1738 -203809.6097 3035.0411 0.0000 0.0000 52186.6285 -109569.6848 299.9173 -161756.3133 -109215.7765 299.2573 129.4784 156.9052 761991.2450 -0.2953 -0.1936 PRESSURE: 4037600 -31.5785 -69.1632 14.0062 -69.1641 -613.733 -156.397 14.0058 -156.398 -105.71 GPRESSURE: 4037600 -47.1992 -120.778 -24.1007 -159.803 -504.314 -190.234 37.0542 -114.518 -113.037 PRESSAVG: 4037600 33.7235 -28.3338 -7.37334 -28.3339 -40.5421 0.162588 -7.37335 0.162591 1.93516 GPRESSAVG: 4037600 34.0068 -28.7234 -7.24161 -28.8397 -41.6934 1.14226 -5.06283 -0.138006 3.22308 TIMING: 4037600 CPU: 12767.6, 0.00317989/step Wall: 12767.6, 0.00317989/step, 0.85009 hours remaining, 237.902344 MB of memory in use. ENERGY: 4037600 3963.8282 20373.4583 14401.9028 252.1030 -203007.1205 2385.0422 0.0000 0.0000 52069.3059 -109561.4799 299.2430 -161630.7859 -109189.1109 298.8922 -250.3405 -221.5168 761945.0522 -1.6278 -1.4878 PRESSURE: 4037800 124.588 104.93 206.854 104.93 17.0762 -108.674 206.854 -108.673 -294.663 GPRESSURE: 4037800 201.728 109.874 149.058 153.345 12.2384 -43.053 118.445 10.0512 -272.9 PRESSAVG: 4037800 40.948 -70.9082 -6.91893 -70.9083 -9.93109 -43.4715 -6.91896 -43.4715 -18.5094 GPRESSAVG: 4037800 40.9757 -72.067 -8.03779 -70.2132 -8.82913 -44.9645 -8.61824 -43.9226 -19.6952 TIMING: 4037800 CPU: 12768.2, 0.00317138/step Wall: 12768.2, 0.00317138/step, 0.847638 hours remaining, 237.902344 MB of memory in use. ENERGY: 4037800 4036.5606 20526.3809 14400.2524 256.3378 -203531.5763 2827.6101 0.0000 0.0000 51898.6871 -109585.7474 298.2625 -161484.4345 -109230.3189 298.7743 -50.9994 -19.6444 762024.4877 4.1692 4.1505 PRESSURE: 4038000 178.132 14.7997 57.919 14.7992 -4.33444 -20.3457 57.9193 -20.3459 379.548 GPRESSURE: 4038000 138.55 -42.9914 93.4858 -33.0281 43.785 -9.2139 34.4442 -43.5819 449.605 PRESSAVG: 4038000 -1.75531 -45.9051 -9.26296 -45.9051 -0.959042 -7.7147 -9.26298 -7.71476 -4.403 GPRESSAVG: 4038000 -3.33945 -44.9 -8.97473 -46.7856 -1.46508 -7.42709 -9.22112 -5.81788 -2.54349 TIMING: 4038000 CPU: 12768.9, 0.00316828/step Wall: 12768.9, 0.00316828/step, 0.846635 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4038000 4006.8406 20484.7441 14427.6079 252.8851 -203231.3816 2632.4327 0.0000 0.0000 51966.4030 -109460.4682 298.6516 -161426.8712 -109116.9272 298.9513 184.4485 210.6468 761188.9267 -2.3725 -2.4493 PRESSURE: 4038200 229.673 97.0965 -40.1125 97.0958 358.531 -50.8804 -40.1124 -50.8808 146.824 GPRESSURE: 4038200 236.802 151.405 -100.03 51.6051 350.025 -85.2283 -41.7117 -1.90074 249.233 PRESSAVG: 4038200 -61.8713 -35.4655 27.9409 -35.4655 39.6415 12.1399 27.9409 12.1399 -4.31567 GPRESSAVG: 4038200 -61.2702 -36.0822 28.5427 -35.6483 39.3292 12.3035 29.2762 9.63575 -4.24728 TIMING: 4038200 CPU: 12769.5, 0.00321208/step Wall: 12769.5, 0.00321208/step, 0.858161 hours remaining, 237.902344 MB of memory in use. ENERGY: 4038200 3926.0678 20528.6181 14437.5626 268.9529 -203457.2298 2710.9979 0.0000 0.0000 52013.7205 -109571.3099 298.9236 -161585.0304 -109222.4524 299.3368 245.0094 278.6868 760298.5326 -8.8485 -8.7294 PRESSURE: 4038400 -199.935 -84.9215 -186.272 -84.9213 -281.238 -140.514 -186.271 -140.515 322.845 GPRESSURE: 4038400 -124.081 -229.28 -188.246 -134.285 -220.078 -156.964 -162.01 -127.448 274.289 PRESSAVG: 4038400 -9.37416 -11.2219 28.6191 -11.2219 -12.9247 25.8666 28.6191 25.8665 18.4297 GPRESSAVG: 4038400 -8.70115 -10.9887 27.4409 -11.4555 -13.19 26.9075 27.7696 23.8582 18.433 TIMING: 4038400 CPU: 12770.1, 0.00317726/step Wall: 12770.1, 0.00317726/step, 0.84868 hours remaining, 237.902344 MB of memory in use. ENERGY: 4038400 4012.8637 20537.3526 14408.4107 259.7376 -203388.6340 2451.6403 0.0000 0.0000 51920.3208 -109798.3083 298.3868 -161718.6291 -109438.3876 299.6715 -52.7758 -23.2900 761520.2141 -1.2897 -1.1527 PRESSURE: 4038600 22.5418 -198.715 174.283 -198.715 19.5347 208.161 174.284 208.159 75.8652 GPRESSURE: 4038600 -8.36639 -164.566 219.808 -157.93 47.3739 193.426 111.082 193.367 174.315 PRESSAVG: 4038600 28.1583 0.754713 51.5543 0.754722 -65.1321 -25.8425 51.5543 -25.8425 9.20955 GPRESSAVG: 4038600 28.6088 1.82013 52.3275 1.22845 -63.9693 -27.0033 52.7914 -24.5351 7.96719 TIMING: 4038600 CPU: 12770.8, 0.00318399/step Wall: 12770.8, 0.00318399/step, 0.850302 hours remaining, 237.902344 MB of memory in use. ENERGY: 4038600 3989.6815 20636.4650 14368.4031 257.7957 -203074.1276 2367.3734 0.0000 0.0000 51543.5044 -109910.9046 296.2212 -161454.4090 -109554.2881 298.2327 39.3139 71.1076 762176.4544 -9.2547 -9.1311 PRESSURE: 4038800 277.142 -45.4677 212.454 -45.4681 395.162 106.6 212.454 106.601 367.657 GPRESSURE: 4038800 309.189 -121.858 61.8146 -152.636 464.751 129.326 180.89 33.0947 357.964 PRESSAVG: 4038800 13.6582 -42.7014 34.86 -42.7014 9.50178 -23.2066 34.8599 -23.2066 17.441 GPRESSAVG: 4038800 13.123 -43.5474 34.4554 -41.9689 8.35232 -21.5322 34.3774 -24.1464 18.4422 TIMING: 4038800 CPU: 12771.4, 0.00318081/step Wall: 12771.4, 0.00318081/step, 0.849276 hours remaining, 237.902344 MB of memory in use. ENERGY: 4038800 3983.9504 20462.1476 14433.5367 241.1445 -203944.6274 2991.0344 0.0000 0.0000 51889.7467 -109943.0670 298.2111 -161832.8137 -109578.8077 298.0059 346.6536 377.3011 759824.0220 13.5337 13.3058 PRESSURE: 4039000 189.888 13.3701 6.02527 13.3705 -219.667 106.471 6.02572 106.47 -70.8698 GPRESSURE: 4039000 167.996 -59.6734 -3.82526 35.1176 -49.2945 202.444 10.0196 154.663 -121.539 PRESSAVG: 4039000 -34.7044 -33.6472 4.18267 -33.6472 22.4896 29.4026 4.18264 29.4026 -8.21321 GPRESSAVG: 4039000 -32.7916 -32.8547 6.18544 -35.1497 22.973 29.2135 2.36305 31.6242 -10.4128 TIMING: 4039000 CPU: 12772.1, 0.00315502/step Wall: 12772.1, 0.00315502/step, 0.842216 hours remaining, 237.902344 MB of memory in use. ENERGY: 4039000 3968.9174 20590.8614 14376.1952 234.8345 -203569.7762 2555.4218 0.0000 0.0000 51854.5018 -109989.0441 298.0085 -161843.5459 -109627.6964 298.4531 -33.5496 -0.9459 760487.8902 -6.8093 -6.7438 PRESSURE: 4039200 61.5464 120.466 13.3446 120.465 181.668 -19.2575 13.3443 -19.2572 185.679 GPRESSURE: 4039200 120.516 165.665 88.4448 145.23 181.385 -74.3443 4.2306 49.045 227.672 PRESSAVG: 4039200 -2.75866 -36.7397 3.42993 -36.7397 -2.33513 41.7748 3.42984 41.7748 -20.3824 GPRESSAVG: 4039200 -3.38301 -36.8843 2.27677 -35.7229 -3.13735 39.8261 5.15714 40.0171 -19.1551 TIMING: 4039200 CPU: 12772.7, 0.00317759/step Wall: 12772.7, 0.00317759/step, 0.848064 hours remaining, 237.902344 MB of memory in use. ENERGY: 4039200 3950.1080 20316.3417 14381.1312 242.5396 -203670.9203 2935.9401 0.0000 0.0000 52050.2349 -109794.6248 299.1334 -161844.8597 -109436.9625 298.8550 142.9645 176.5241 761738.8205 -8.4921 -8.5585 PRESSURE: 4039400 122.652 -93.9177 -85.1823 -93.919 -22.2752 226.35 -85.1821 226.35 -26.3609 GPRESSURE: 4039400 109.944 -93.1475 -185.645 -80.6057 12.3878 215.974 -33.0675 262.741 18.5542 PRESSAVG: 4039400 -9.75558 -0.10799 61.4729 -0.108082 -43.5885 16.3098 61.4729 16.3097 10.2223 GPRESSAVG: 4039400 -9.82915 0.147271 61.4879 0.387992 -41.6584 16.7323 60.7484 16.2234 8.57203 TIMING: 4039400 CPU: 12773.3, 0.0031584/step Wall: 12773.3, 0.0031584/step, 0.842767 hours remaining, 237.902344 MB of memory in use. ENERGY: 4039400 3955.6863 20517.5181 14441.3440 229.2233 -203636.2456 2671.5928 0.0000 0.0000 52026.5364 -109794.3447 298.9972 -161820.8811 -109442.1870 298.4887 24.6718 46.9619 762770.5853 -14.3739 -14.3052 PRESSURE: 4039600 85.3463 84.3529 66.0148 84.3524 -308.263 -192.173 66.0154 -192.172 -150.065 GPRESSURE: 4039600 55.8007 108.982 66.1367 73.4056 -250.07 -240.829 -37.9851 -42.5455 -86.8236 PRESSAVG: 4039600 -50.5566 -4.88126 78.0387 -4.88124 28.1077 -1.91265 78.0387 -1.91265 -0.996632 GPRESSAVG: 4039600 -50.6563 -4.05881 77.8664 -2.7925 26.7214 -3.87348 77.4816 -0.00666718 0.629512 TIMING: 4039600 CPU: 12774, 0.0031845/step Wall: 12774, 0.0031845/step, 0.849554 hours remaining, 237.902344 MB of memory in use. ENERGY: 4039600 3991.7650 20418.0016 14425.9147 245.7182 -203473.0594 2687.5556 0.0000 0.0000 52000.4995 -109703.6048 298.8476 -161704.1043 -109339.5066 298.9422 -124.3270 -93.6975 761543.0799 -7.8152 -7.7685 PRESSURE: 4039800 -369.066 93.9123 -106.162 93.9124 -231.288 97.0413 -106.163 97.0415 293.215 GPRESSURE: 4039800 -322.624 -36.8146 -112.685 69.122 -156.629 -14.6357 -159.903 194.599 249.888 PRESSAVG: 4039800 -9.34611 15.5005 9.81869 15.5006 48.1489 52.8145 9.81871 52.8146 25.1807 GPRESSAVG: 4039800 -9.8515 13.0252 9.85818 13.691 49.5877 53.9465 9.03704 53.3924 24.3705 TIMING: 4039800 CPU: 12774.6, 0.00317131/step Wall: 12774.6, 0.00317131/step, 0.845858 hours remaining, 237.902344 MB of memory in use. ENERGY: 4039800 4067.2201 20613.5915 14344.4663 252.5294 -203553.4367 2702.4469 0.0000 0.0000 51956.7468 -109616.4358 298.5961 -161573.1825 -109256.4404 298.8824 -102.3794 -76.4553 763016.3793 21.3278 21.3689 PRESSURE: 4040000 -282.523 13.5964 -128.127 13.5969 -142.77 56.6083 -128.127 56.6082 -358.989 GPRESSURE: 4040000 -246.686 -55.1559 -162.667 12.8011 -180.168 79.6678 -6.65864 2.87985 -274.482 PRESSAVG: 4040000 -10.317 -59.0925 58.6051 -59.0925 5.64345 -1.02185 58.6051 -1.02189 -12.4195 GPRESSAVG: 4040000 -10.233 -58.9097 58.8012 -59.078 3.93385 -0.16415 58.8902 -3.51098 -10.7936 TIMING: 4040000 CPU: 12775.2, 0.00316896/step Wall: 12775.2, 0.00316896/step, 0.845055 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4040000 3999.4782 20510.2672 14481.8305 261.0125 -203422.3257 2571.3789 0.0000 0.0000 52084.4478 -109513.9106 299.3300 -161598.3584 -109159.7016 299.3455 -261.4274 -233.7787 762075.2466 -5.6977 -5.6976 PRESSURE: 4040200 -180.743 -175.471 97.4033 -175.473 -218.948 -172.629 97.4026 -172.628 -376.39 GPRESSURE: 4040200 -135.6 -149.43 123.696 -230.575 -201.734 -165.957 208.198 -158.575 -349.841 PRESSAVG: 4040200 -7.17106 -42.5578 14.401 -42.5578 40.5633 -1.36849 14.4009 -1.36844 -3.74928 GPRESSAVG: 4040200 -6.33869 -40.4323 16.6006 -43.2947 40.2149 -1.91546 15.3809 -0.797247 -4.19092 TIMING: 4040200 CPU: 12775.9, 0.00313114/step Wall: 12775.9, 0.00313114/step, 0.834797 hours remaining, 237.902344 MB of memory in use. ENERGY: 4040200 3962.0679 20517.6522 14439.3944 246.8861 -203552.9500 2601.0058 0.0000 0.0000 52121.2288 -109664.7147 299.5414 -161785.9436 -109298.0540 299.1939 -258.6937 -229.0583 762647.0775 9.8810 9.8951 LDB: ============= START OF LOAD BALANCING ============== 12788.2 LDB: ============== END OF LOAD BALANCING =============== 12788.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12788.2 LDB: ============= START OF LOAD BALANCING ============== 12788.6 LDB: Largest compute 7031 load 0.033648 is 17.2% of average load 0.196107 LDB: Average compute 0.004404 is 2.2% of average load 0.196107 LDB: TIME 12788.6 LOAD: AVG 0.196107 MAX 0.216225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 12788.6 LOAD: AVG 0.196107 MAX 0.216225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 12788.6 LOAD: AVG 0.196107 MAX 0.216225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 12788.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12788.6 PRESSURE: 4040400 -14.1163 -194.508 -4.1691 -194.508 209.415 -34.3972 -4.16973 -34.397 296.12 GPRESSURE: 4040400 -24.4131 -204.498 -26.0848 -116.522 302.549 33.9836 -10.3664 2.83356 286.893 PRESSAVG: 4040400 -42.4273 15.847 -24.4014 15.8471 4.74811 23.1592 -24.4013 23.1592 8.26034 GPRESSAVG: 4040400 -42.2323 13.1802 -26.3029 16.3092 5.58985 23.0953 -24.024 23.0872 7.34244 TIMING: 4040400 CPU: 12776.5, 0.00321742/step Wall: 12776.5, 0.00321742/step, 0.857622 hours remaining, 238.355469 MB of memory in use. ENERGY: 4040400 3995.1706 20464.1147 14442.3307 246.9724 -203877.3305 2873.7551 0.0000 0.0000 52039.3806 -109815.6064 299.0710 -161854.9870 -109447.7195 298.6429 163.8061 188.3428 761014.2623 -9.8063 -9.7667 PRESSURE: 4040600 92.8548 -195.71 27.0962 -195.71 129.919 -82.5082 27.0966 -82.5091 -144.645 GPRESSURE: 4040600 81.6186 -178.536 36.4574 -115.308 192.351 -49.4421 68.5441 -167.691 -116.626 PRESSAVG: 4040600 28.4709 -40.8885 28.548 -40.8884 -30.4133 -11.0004 28.548 -11.0003 -22.8288 GPRESSAVG: 4040600 26.7739 -38.4218 28.2821 -41.7621 -29.3949 -10.2639 27.9203 -11.2534 -22.215 TIMING: 4040600 CPU: 12777.1, 0.00314116/step Wall: 12777.1, 0.00314116/step, 0.837119 hours remaining, 238.355469 MB of memory in use. ENERGY: 4040600 3910.2635 20470.7612 14444.6112 238.9576 -203511.7209 2630.2699 0.0000 0.0000 51920.0410 -109896.8164 298.3852 -161816.8574 -109527.3930 298.2868 26.0430 52.4481 760857.2619 -8.2571 -8.2787 PRESSURE: 4040800 136.946 19.3781 -143.663 19.3781 -7.9615 8.77395 -143.663 8.77471 407.804 GPRESSURE: 4040800 217.835 69.3463 -189.081 67.7146 66.2516 58.8877 -172.528 -4.17996 323.96 PRESSAVG: 4040800 -64.9435 10.0252 -24.8772 10.0253 88.2917 40.3205 -24.8771 40.3205 26.9481 GPRESSAVG: 4040800 -63.2468 9.48539 -25.0645 8.82964 88.6592 39.9616 -22.9232 41.3211 25.4436 TIMING: 4040800 CPU: 12777.8, 0.00314835/step Wall: 12777.8, 0.00314835/step, 0.83886 hours remaining, 238.355469 MB of memory in use. ENERGY: 4040800 4042.5739 20415.7201 14417.9532 255.9465 -203655.9858 2643.8923 0.0000 0.0000 51818.4516 -110061.4482 297.8014 -161879.8998 -109700.8264 298.5147 178.9293 202.6825 761022.4847 16.7654 16.9520 PRESSURE: 4041000 -133.423 181.186 -197.553 181.187 -125.296 66.2965 -197.554 66.2953 -8.74354 GPRESSURE: 4041000 -155.014 69.0593 -253.243 128.965 -99.2841 82.3884 -156.848 85.2506 62.9537 PRESSAVG: 4041000 -97.5033 6.90297 -58.3943 6.90297 64.3102 -4.18254 -58.3944 -4.1825 -4.33322 GPRESSAVG: 4041000 -98.2211 6.94548 -57.9152 8.13564 63.6208 -3.11072 -58.6691 -4.13332 -3.29299 TIMING: 4041000 CPU: 12778.4, 0.00314855/step Wall: 12778.4, 0.00314855/step, 0.838738 hours remaining, 238.355469 MB of memory in use. ENERGY: 4041000 3945.6941 20353.0189 14400.3180 255.4446 -203689.8396 2648.7584 0.0000 0.0000 51789.8811 -110296.7244 297.6372 -162086.6056 -109940.5985 297.7108 -89.1540 -63.7815 760418.1737 -12.5088 -12.6311 PRESSURE: 4041200 -103.287 66.8683 164.026 66.8683 106.13 405.88 164.025 405.881 -445.199 GPRESSURE: 4041200 -9.49656 83.8745 123.433 -20.1832 56.0669 306.806 259.719 384.483 -411.594 PRESSAVG: 4041200 -55.447 -14.936 -16.6434 -14.9361 50.3472 46.3438 -16.6434 46.3438 12.0644 GPRESSAVG: 4041200 -55.16 -14.4417 -17.13 -14.7634 50.795 45.5673 -16.4781 45.7637 10.8738 TIMING: 4041200 CPU: 12779, 0.00317203/step Wall: 12779, 0.00317203/step, 0.844817 hours remaining, 238.355469 MB of memory in use. ENERGY: 4041200 3991.1803 20541.0251 14397.8457 264.4887 -203882.6260 2619.2640 0.0000 0.0000 51858.9454 -110209.8767 298.0341 -162068.8222 -109852.1620 297.6803 -147.4522 -121.6746 760399.1166 2.3215 2.1696 PRESSURE: 4041400 -3.75172 -9.40072 222.748 -9.40091 104.171 -64.8504 222.748 -64.8501 -72.3889 GPRESSURE: 4041400 92.2202 74.2027 124.111 10.6266 77.6302 -77.4742 227.837 -164.179 -48.9544 PRESSAVG: 4041400 -58.8425 0.837603 -64.0629 0.837501 29.4543 24.0078 -64.063 24.0078 6.8289 GPRESSAVG: 4041400 -58.9356 -0.53217 -61.8617 1.83341 29.4567 23.7488 -64.6265 24.1996 7.33494 TIMING: 4041400 CPU: 12779.6, 0.00315757/step Wall: 12779.6, 0.00315757/step, 0.840791 hours remaining, 238.355469 MB of memory in use. ENERGY: 4041400 3956.0992 20588.2545 14457.3128 227.6103 -203753.4586 2581.0180 0.0000 0.0000 51599.0290 -110344.1349 296.5403 -161943.1639 -109980.5178 297.2567 9.3436 40.2987 760677.9359 -7.5198 -7.3813 PRESSURE: 4041600 -282.201 -24.2111 -16.5032 -24.2119 -147.843 -33.7712 -16.5027 -33.771 90.8121 GPRESSURE: 4041600 -210.273 -30.7868 -76.5638 -50.3598 -103.743 -52.1685 30.5317 7.52922 46.4485 PRESSAVG: 4041600 -111.187 -38.8453 -40.6941 -38.8453 89.1127 -0.875278 -40.6941 -0.875249 -24.8796 GPRESSAVG: 4041600 -112.448 -37.553 -42.5834 -38.7653 90.0207 -1.64184 -41.5229 -0.367524 -24.3063 TIMING: 4041600 CPU: 12780.3, 0.00313995/step Wall: 12780.3, 0.00313995/step, 0.835926 hours remaining, 238.355469 MB of memory in use. ENERGY: 4041600 3992.0538 20523.6311 14378.0893 240.8854 -204167.9179 2957.4909 0.0000 0.0000 51806.6298 -110269.1377 297.7334 -162075.7675 -109902.5677 297.6828 -113.0771 -89.1890 761359.3157 -15.6512 -15.5779 PRESSURE: 4041800 96.7511 -232.959 -87.9674 -232.959 -46.5408 -267.626 -87.9669 -267.627 -492.318 GPRESSURE: 4041800 152.536 -337.786 -56.6248 -268.376 3.47859 -257.376 -33.8283 -206.41 -500.858 PRESSAVG: 4041800 -39.1641 -65.7094 -35.7653 -65.7094 55.3821 29.1653 -35.7653 29.1654 11.9658 GPRESSAVG: 4041800 -39.3134 -66.1767 -36.9463 -66.2627 55.7341 29.552 -34.2338 28.3865 12.1354 TIMING: 4041800 CPU: 12780.9, 0.00314589/step Wall: 12780.9, 0.00314589/step, 0.837331 hours remaining, 238.355469 MB of memory in use. ENERGY: 4041800 4003.0583 20718.1415 14407.6043 251.7665 -204099.9537 2798.7050 0.0000 0.0000 51705.4975 -110215.1806 297.1522 -161920.6781 -109858.4731 297.4404 -147.3692 -114.9478 761315.0406 9.3946 9.5187 PRESSURE: 4042000 -77.0884 200.604 42.1586 200.605 -230.744 0.761796 42.1588 0.761684 242.688 GPRESSURE: 4042000 -46.4024 190.16 44.5587 280.998 -195.591 26.4682 111.231 -25.9635 264.782 PRESSAVG: 4042000 -17.4141 -34.4759 -32.8299 -34.4759 37.8077 -29.3185 -32.8298 -29.3185 16.0951 GPRESSAVG: 4042000 -16.9585 -35.0484 -31.1337 -32.6697 37.5969 -27.8321 -34.3546 -29.0191 15.6025 TIMING: 4042000 CPU: 12781.5, 0.00312436/step Wall: 12781.5, 0.00312436/step, 0.831426 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4042000 4008.8175 20598.7916 14465.1149 264.8800 -204185.6778 2773.6288 0.0000 0.0000 51868.2292 -110206.2158 298.0874 -162074.4451 -109841.4408 298.0850 -21.7147 7.5961 760010.5518 12.1629 12.0803 PRESSURE: 4042200 -175.758 23.1008 -149.799 23.1009 -313.888 8.64497 -149.798 8.64459 -525.752 GPRESSURE: 4042200 -267.36 12.644 -239.901 31.517 -235.52 -52.952 -219.587 -67.569 -418.74 PRESSAVG: 4042200 -33.8648 34.8828 -30.4433 34.8828 -5.52228 -18.4781 -30.4433 -18.478 -3.12872 GPRESSAVG: 4042200 -34.8926 34.4074 -31.6277 34.7298 -5.61212 -20.3529 -32.0113 -19.3913 -1.85407 TIMING: 4042200 CPU: 12782.2, 0.00314407/step Wall: 12782.2, 0.00314407/step, 0.836498 hours remaining, 238.355469 MB of memory in use. ENERGY: 4042200 4019.0700 20446.3249 14443.8925 249.7669 -203796.7989 2665.0186 0.0000 0.0000 52208.3292 -109764.3969 300.0420 -161972.7261 -109390.3224 298.6202 -338.4661 -307.2068 760886.3359 -14.1719 -14.1196 PRESSURE: 4042400 -2.7169 -59.3262 -143.725 -59.3274 59.2603 -64.8712 -143.725 -64.8701 69.5873 GPRESSURE: 4042400 -2.33024 -150.588 -136.599 -108.762 111.653 -108.114 -171.695 -75.6658 118.205 PRESSAVG: 4042400 -15.88 -32.6599 -30.9656 -32.66 12.3647 -16.5027 -30.9656 -16.5028 -6.85917 GPRESSAVG: 4042400 -14.5769 -32.2221 -30.3024 -34.0574 11.5091 -15.3391 -29.3886 -16.4515 -7.08781 TIMING: 4042400 CPU: 12782.8, 0.0031386/step Wall: 12782.8, 0.0031386/step, 0.834866 hours remaining, 238.355469 MB of memory in use. ENERGY: 4042400 4033.6918 20545.9918 14384.9522 248.2068 -203786.6576 2748.4458 0.0000 0.0000 52045.3018 -109780.0674 299.1051 -161825.3691 -109410.9858 298.5869 42.0436 75.8427 761328.0992 -3.4581 -3.3852 PRESSURE: 4042600 72.634 74.2355 -27.9216 74.2364 -3.25509 116.726 -27.9225 116.727 -113.099 GPRESSURE: 4042600 97.4728 -26.668 -61.0268 131.552 -6.33097 89.3653 -12.2201 173.674 -59.7894 PRESSAVG: 4042600 14.1777 32.5685 -39.9632 32.5685 5.39908 2.44518 -39.9632 2.44521 1.97789 GPRESSAVG: 4042600 15.4315 32.1872 -40.8774 33.7609 4.81058 2.57697 -40.3209 3.2499 1.41186 TIMING: 4042600 CPU: 12783.4, 0.0031456/step Wall: 12783.4, 0.0031456/step, 0.836554 hours remaining, 238.355469 MB of memory in use. ENERGY: 4042600 3979.0411 20413.8860 14468.6740 253.0496 -203427.1180 2644.7052 0.0000 0.0000 51958.1230 -109709.6391 298.6040 -161667.7621 -109348.3485 298.3676 -14.5733 10.4508 762452.5215 7.1849 7.2180 PRESSURE: 4042800 46.8732 -185.349 15.4947 -185.35 456.228 231.096 15.495 231.096 253.18 GPRESSURE: 4042800 154.16 -36.4216 57.8139 -200.456 370.369 191.002 37.9218 107.483 299.218 PRESSAVG: 4042800 -32.3282 3.94354 21.2093 3.94352 7.37181 4.37601 21.2093 4.37597 8.99119 GPRESSAVG: 4042800 -33.2991 2.57917 22.8112 3.78728 8.32313 3.7072 21.3845 3.76816 9.05561 TIMING: 4042800 CPU: 12784, 0.00313323/step Wall: 12784, 0.00313323/step, 0.83309 hours remaining, 238.355469 MB of memory in use. ENERGY: 4042800 3929.7891 20501.5246 14466.8583 254.3548 -203506.1061 2782.3580 0.0000 0.0000 51703.7442 -109867.4770 297.1421 -161571.2212 -109507.7482 298.0375 252.0938 274.5821 762010.6577 -5.3217 -5.3068 PRESSURE: 4043000 240.472 -205.445 -58.0938 -205.446 28.1149 85.7288 -58.0936 85.729 191.416 GPRESSURE: 4043000 208.927 -163.744 -14.0213 -143.065 76.5085 137.155 -165.123 48.3551 265.093 PRESSAVG: 4043000 -39.3026 -16.551 -7.51405 -16.5509 22.8276 2.27353 -7.51409 2.27358 7.52317 GPRESSAVG: 4043000 -39.1985 -15.3752 -6.41151 -18.1944 23.0602 2.27709 -8.47413 4.0624 7.43213 TIMING: 4043000 CPU: 12784.7, 0.00315325/step Wall: 12784.7, 0.00315325/step, 0.83824 hours remaining, 238.355469 MB of memory in use. ENERGY: 4043000 3979.1589 20533.8100 14507.6863 254.9352 -203356.3752 2665.1037 0.0000 0.0000 51781.7310 -109633.9500 297.5903 -161415.6810 -109281.8139 298.8785 153.3341 183.5094 761683.4762 -2.9839 -2.9021 PRESSURE: 4043200 -384.089 84.0595 155.295 84.0592 -52.4731 84.6379 155.294 84.638 215.385 GPRESSURE: 4043200 -331.864 95.0822 199.57 22.69 38.4651 111.603 112.917 178.698 173.533 PRESSAVG: 4043200 -26.4655 -8.46117 -11.8923 -8.46121 -0.876298 -59.4724 -11.8923 -59.4724 -6.11381 GPRESSAVG: 4043200 -26.2355 -7.01293 -12.1539 -9.91798 0.122784 -60.2302 -11.3436 -57.6364 -7.00575 TIMING: 4043200 CPU: 12785.3, 0.00316637/step Wall: 12785.3, 0.00316637/step, 0.84155 hours remaining, 238.355469 MB of memory in use. ENERGY: 4043200 3925.1164 20653.5212 14515.6924 243.7403 -203287.8845 2489.1716 0.0000 0.0000 51928.9942 -109531.6483 298.4366 -161460.6426 -109169.0707 299.3596 -73.7256 -39.9552 760879.7759 -11.1519 -11.0395 PRESSURE: 4043400 -115.456 167.708 -254.387 167.709 -243.065 68.6656 -254.387 68.6649 -446.095 GPRESSURE: 4043400 -109.856 43.705 -218.202 145.736 -184.06 9.53307 -250.45 13.4462 -431.544 PRESSAVG: 4043400 -36.1955 -15.1533 6.86335 -15.1533 49.539 16.5251 6.86334 16.525 -3.04188 GPRESSAVG: 4043400 -36.3084 -17.0017 4.73189 -13.1619 48.8819 15.4184 7.19817 14.0976 -2.19309 TIMING: 4043400 CPU: 12785.9, 0.00315624/step Wall: 12785.9, 0.00315624/step, 0.838684 hours remaining, 238.355469 MB of memory in use. ENERGY: 4043400 4029.3222 20654.1418 14458.4554 255.5927 -203032.0351 2317.5328 0.0000 0.0000 51955.6297 -109361.3606 298.5897 -161316.9903 -108992.7044 299.3477 -268.2053 -241.8202 762469.7711 3.4339 3.4601 PRESSURE: 4043600 -46.5325 -100.392 -116.162 -100.391 -222.097 128.5 -116.163 128.501 -38.8122 GPRESSURE: 4043600 -46.4773 -235.354 -153.449 -14.7031 -116.388 203.318 -133.527 150.061 -59.6165 PRESSAVG: 4043600 11.0942 -25.0568 30.7353 -25.0568 -6.48151 34.8723 30.7352 34.8724 -7.03362 GPRESSAVG: 4043600 11.3637 -25.9703 31.0275 -23.9032 -5.31337 37.3776 29.1414 34.8294 -8.32684 TIMING: 4043600 CPU: 12786.6, 0.00315241/step Wall: 12786.6, 0.00315241/step, 0.837491 hours remaining, 238.355469 MB of memory in use. ENERGY: 4043600 3989.7331 20579.9534 14556.7515 242.5579 -203497.0006 2569.6182 0.0000 0.0000 52281.3069 -109277.0796 300.4614 -161558.3865 -108910.1296 300.0792 -102.4805 -74.1605 763179.5016 -0.8070 -0.7588 PRESSURE: 4043800 122.255 -154.727 -373.821 -154.727 173.369 200.424 -373.821 200.424 361.148 GPRESSURE: 4043800 154.141 -142.375 -374.609 3.94459 179.585 189.138 -307.226 176.136 410.149 PRESSAVG: 4043800 -3.95476 -22.3004 54.0834 -22.3003 -16.6881 61.1081 54.0834 61.1081 8.16313 GPRESSAVG: 4043800 -3.97486 -22.5163 54.8351 -22.8851 -16.6008 60.4517 54.1941 61.1324 8.50723 TIMING: 4043800 CPU: 12787.2, 0.00316713/step Wall: 12787.2, 0.00316713/step, 0.841224 hours remaining, 238.355469 MB of memory in use. ENERGY: 4043800 3968.6775 20598.7290 14495.8109 243.2256 -203767.8174 3020.8739 0.0000 0.0000 52185.2890 -109255.2115 299.9096 -161440.5006 -108892.6054 299.9752 218.9238 247.9582 761603.6552 -4.1599 -4.0228 PRESSURE: 4044000 -35.7997 66.9522 119.427 66.9524 -46.285 10.1948 119.427 10.1947 -176.494 GPRESSURE: 4044000 -10.4251 19.2225 15.7913 119.592 -48.4759 -44.5367 253.305 -38.193 -114.906 PRESSAVG: 4044000 -11.5111 -19.4842 -4.4012 -19.4843 38.9223 12.7349 -4.40122 12.7349 2.2051 GPRESSAVG: 4044000 -11.844 -20.6122 -4.50847 -20.3257 39.4774 11.005 -3.71209 12.4317 2.21557 TIMING: 4044000 CPU: 12787.8, 0.00318682/step Wall: 12787.8, 0.00318682/step, 0.846278 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4044000 4028.5608 20581.5250 14491.6424 245.8133 -203548.1563 2640.9799 0.0000 0.0000 52198.2159 -109361.4189 299.9839 -161559.6348 -108981.9165 299.9189 -86.1928 -57.9356 762651.0432 9.8721 9.9497 PRESSURE: 4044200 102.921 -92.433 276.156 -92.4339 -253.658 -49.0777 276.156 -49.0779 -318.762 GPRESSURE: 4044200 163.394 60.0653 274.845 -45.3579 -242.272 -34.0894 94.2047 -28.0354 -313.011 PRESSAVG: 4044200 15.3622 29.5513 1.20092 29.5513 27.0798 3.39883 1.20094 3.39893 10.6402 GPRESSAVG: 4044200 16.3619 31.3409 1.6901 28.3623 25.2796 4.83554 -0.181247 3.87682 11.3261 TIMING: 4044200 CPU: 12788.5, 0.00318486/step Wall: 12788.5, 0.00318486/step, 0.845581 hours remaining, 238.355469 MB of memory in use. ENERGY: 4044200 4054.2289 20783.2726 14454.2728 243.9180 -203528.5219 2760.0240 0.0000 0.0000 51907.2388 -109325.5669 298.3116 -161232.8057 -108970.8933 300.0015 -156.4995 -130.6294 762764.5186 17.6941 17.6559 LDB: ============= START OF LOAD BALANCING ============== 12800.9 LDB: ============== END OF LOAD BALANCING =============== 12800.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12800.9 LDB: ============= START OF LOAD BALANCING ============== 12801.2 LDB: Largest compute 7031 load 0.036024 is 18.4% of average load 0.196165 LDB: Average compute 0.004384 is 2.2% of average load 0.196165 LDB: TIME 12801.2 LOAD: AVG 0.196165 MAX 0.21518 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 12801.2 LOAD: AVG 0.196165 MAX 0.21518 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 12801.2 LOAD: AVG 0.196165 MAX 0.21518 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 12801.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12801.2 PRESSURE: 4044400 -178.172 -108.352 -117.977 -108.353 -224.164 114.749 -117.977 114.748 26.0068 GPRESSURE: 4044400 -167.293 -15.6737 -158.659 -25.8917 -174.41 80.6071 -32.4455 54.8763 29.5508 PRESSAVG: 4044400 -6.48703 -29.3458 -56.0179 -29.3458 -8.32601 -3.92735 -56.0179 -3.92723 -7.05343 GPRESSAVG: 4044400 -7.78428 -26.8914 -55.6138 -27.9139 -7.24518 -3.55696 -54.4852 -5.48222 -6.8595 TIMING: 4044400 CPU: 12789.1, 0.00320208/step Wall: 12789.1, 0.00320208/step, 0.849973 hours remaining, 238.671875 MB of memory in use. ENERGY: 4044400 3991.8355 20613.0784 14468.6595 223.4322 -202803.8164 2212.2149 0.0000 0.0000 51953.8433 -109340.7525 298.5795 -161294.5958 -108969.3538 299.2601 -125.4431 -104.0508 763110.1828 -7.2888 -7.2963 PRESSURE: 4044600 36.1119 -68.8758 -177.507 -68.8762 -219.586 31.5208 -177.507 31.5212 139.59 GPRESSURE: 4044600 -58.1309 -76.5937 -94.3393 -30.5881 -173.748 -56.3546 -146.148 -42.5022 270.667 PRESSAVG: 4044600 -49.2185 -20.7879 -12.0541 -20.7879 4.01934 -6.78442 -12.0541 -6.78441 8.9723 GPRESSAVG: 4044600 -49.085 -24.0511 -14.6282 -21.5682 4.88958 -7.88255 -11.1143 -7.53272 8.28939 TIMING: 4044600 CPU: 12789.7, 0.00314503/step Wall: 12789.7, 0.00314503/step, 0.834656 hours remaining, 238.671875 MB of memory in use. ENERGY: 4044600 3968.3877 20583.9554 14458.2242 242.1800 -203226.5030 2709.5301 0.0000 0.0000 52186.6696 -109077.5559 299.9175 -161264.2255 -108715.5577 299.8890 -14.6281 12.9294 763136.7677 -12.0756 -11.9687 PRESSURE: 4044800 -163.778 -150.644 77.4729 -150.644 96.663 -174.211 77.4722 -174.212 -301.935 GPRESSURE: 4044800 -92.3513 -140.375 146.716 2.20537 -16.7368 -152.897 118.941 -76.7349 -178.213 PRESSAVG: 4044800 18.7247 23.5267 -55.2345 23.5267 12.2441 38.5344 -55.2346 38.5343 -27.3471 GPRESSAVG: 4044800 19.1711 27.0137 -51.9187 23.5526 10.8334 38.7102 -55.1545 40.3637 -26.0548 TIMING: 4044800 CPU: 12790.4, 0.00315283/step Wall: 12790.4, 0.00315283/step, 0.836552 hours remaining, 238.671875 MB of memory in use. ENERGY: 4044800 4092.4479 20393.1445 14443.6903 235.0773 -203088.9810 2597.2993 0.0000 0.0000 52394.8366 -108932.4851 301.1138 -161327.3217 -108569.6316 300.1806 -123.0168 -95.7669 763740.0594 1.2072 1.3166 PRESSURE: 4045000 -26.751 -148.147 106.962 -148.147 201.852 -150.65 106.962 -150.65 54.2587 GPRESSURE: 4045000 46.978 -103.468 -1.54728 -110.421 221.742 -140.075 -45.2 -192.067 60.6301 PRESSAVG: 4045000 -26.1502 -14.8537 -20.1631 -14.8538 22.3671 21.8582 -20.1631 21.8581 5.23569 GPRESSAVG: 4045000 -25.8662 -15.6144 -21.8358 -16.1932 22.7848 21.647 -22.7646 22.9481 5.12187 TIMING: 4045000 CPU: 12791, 0.00315775/step Wall: 12791, 0.00315775/step, 0.837681 hours remaining, 238.671875 MB of memory in use. ENERGY: 4045000 4026.0712 20607.2020 14524.8945 238.8332 -203417.0705 2715.5960 0.0000 0.0000 52265.3864 -109039.0873 300.3699 -161304.4737 -108667.8837 300.7342 76.4531 109.7832 760938.1342 0.4842 0.6802 PRESSURE: 4045200 216.091 -2.2636 126.436 -2.2634 -169.846 127.845 126.436 127.846 -284.299 GPRESSURE: 4045200 265.126 -85.1393 106.82 78.3962 -122.268 176.524 94.662 -24.0972 -292.99 PRESSAVG: 4045200 -60.7266 -3.3096 -42.5083 -3.30964 19.1811 6.7997 -42.5083 6.79966 -3.40941 GPRESSAVG: 4045200 -61.697 -3.88962 -42.3456 -1.60025 21.7601 6.65702 -40.9884 5.72053 -4.96439 TIMING: 4045200 CPU: 12791.6, 0.00316371/step Wall: 12791.6, 0.00316371/step, 0.839086 hours remaining, 238.671875 MB of memory in use. ENERGY: 4045200 4130.1698 20443.0937 14456.4037 239.9145 -203237.9509 2591.4418 0.0000 0.0000 52472.6610 -108904.2663 301.5611 -161376.9273 -108545.5001 300.1889 -79.3515 -50.0440 762699.1580 -14.9850 -14.9671 PRESSURE: 4045400 265.632 -58.7941 -75.5338 -58.7943 -172.489 -242.617 -75.5355 -242.617 257.005 GPRESSURE: 4045400 234.815 -64.5065 -139.259 -163.748 -112.213 -191.952 -54.9874 -100.652 300.391 PRESSAVG: 4045400 18.0882 -2.38714 12.8766 -2.38719 32.1825 13.4348 12.8766 13.4348 1.36539 GPRESSAVG: 4045400 18.835 -3.42252 14.07 -2.99346 30.995 14.0889 11.3134 13.3206 2.51997 TIMING: 4045400 CPU: 12792.3, 0.00313375/step Wall: 12792.3, 0.00313375/step, 0.830965 hours remaining, 238.671875 MB of memory in use. ENERGY: 4045400 3965.5533 20475.5928 14526.9717 250.2768 -203076.8959 2752.4404 0.0000 0.0000 52179.0962 -108926.9648 299.8740 -161106.0610 -108562.8503 299.9961 116.7164 140.9976 764208.5730 17.2120 17.4500 PRESSURE: 4045600 -178.637 29.2082 -19.5042 29.208 204.866 -54.7404 -19.5052 -54.7399 163.148 GPRESSURE: 4045600 -47.0247 -66.2092 -75.3077 -58.2439 186.078 -43.7886 7.34895 30.1371 117.088 PRESSAVG: 4045600 9.93861 -10.0108 26.7114 -10.0108 9.37836 39.229 26.7113 39.229 10.7145 GPRESSAVG: 4045600 8.74858 -7.84917 26.0222 -12.1759 10.1264 38.6643 28.1791 39.8243 10.7031 TIMING: 4045600 CPU: 12792.9, 0.0031628/step Wall: 12792.9, 0.0031628/step, 0.838494 hours remaining, 238.671875 MB of memory in use. ENERGY: 4045600 4023.8250 20557.3156 14473.6332 246.8615 -203404.4971 2680.6197 0.0000 0.0000 52400.0817 -109022.1605 301.1440 -161422.2422 -108654.6188 300.3488 63.1259 85.3805 763744.6604 10.0105 9.8594 PRESSURE: 4045800 32.0394 69.1673 -40.6702 69.1676 305.79 -67.106 -40.6701 -67.106 188.415 GPRESSURE: 4045800 44.4127 67.5628 10.8601 95.2298 297.546 -75.0584 42.9084 -68.4109 263.276 PRESSAVG: 4045800 -46.427 -41.9278 -15.3082 -41.9278 25.9458 15.9647 -15.3081 15.9646 -6.19105 GPRESSAVG: 4045800 -45.3966 -43.1921 -14.9194 -39.2023 25.1272 14.8605 -15.7261 15.0337 -6.68591 TIMING: 4045800 CPU: 12793.5, 0.00315424/step Wall: 12793.5, 0.00315424/step, 0.836049 hours remaining, 238.671875 MB of memory in use. ENERGY: 4045800 3971.7627 20585.1309 14460.6225 232.5479 -203304.6863 2776.2094 0.0000 0.0000 52033.1180 -109245.2949 299.0350 -161278.4129 -108885.8174 300.2815 175.4150 201.7448 763334.9293 -8.8908 -8.9851 PRESSURE: 4046000 -319.639 -238.856 22.4422 -238.856 285.798 14.2131 22.4429 14.2126 -302.201 GPRESSURE: 4046000 -141.774 -95.293 27.5088 -138.51 156.036 31.1688 80.2838 -28.6127 -269.269 PRESSAVG: 4046000 17.665 -56.6921 29.4975 -56.6921 -39.4413 5.02424 29.4975 5.02429 7.37501 GPRESSAVG: 4046000 19.1153 -55.7558 27.9901 -58.4767 -40.3831 5.34592 30.856 5.66457 7.31225 TIMING: 4046000 CPU: 12794.2, 0.00314106/step Wall: 12794.2, 0.00314106/step, 0.83238 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4046000 3905.6691 20745.2375 14446.7326 246.1343 -203520.4570 2709.5733 0.0000 0.0000 52442.9779 -109024.1323 301.3905 -161467.1102 -108650.0641 300.1144 -112.0141 -85.0022 763823.3407 -4.8004 -4.6518 PRESSURE: 4046200 235.677 -109.01 207.548 -109.008 23.3896 -161.761 207.548 -161.761 -191.037 GPRESSURE: 4046200 223.947 -102.107 256.193 -84.068 67.0394 -68.8714 77.7325 -193.109 -137.248 PRESSAVG: 4046200 -23.6089 -48.9403 6.54282 -48.9403 57.184 -14.6741 6.54285 -14.6741 1.46175 GPRESSAVG: 4046200 -25.2907 -49.5464 8.20076 -47.4494 58.1871 -14.1937 5.70133 -14.3522 2.40194 TIMING: 4046200 CPU: 12794.8, 0.00315177/step Wall: 12794.8, 0.00315177/step, 0.835045 hours remaining, 238.671875 MB of memory in use. ENERGY: 4046200 4060.3814 20682.9759 14470.7103 243.3686 -203415.0928 2819.2242 0.0000 0.0000 52346.5202 -108791.9122 300.8362 -161138.4325 -108424.3912 300.7186 22.6765 51.2462 763136.6417 11.6789 11.7661 PRESSURE: 4046400 113.61 -69.3489 129.06 -69.3495 129.201 -41.8062 129.06 -41.8068 121.029 GPRESSURE: 4046400 83.0137 86.4535 52.8813 -14.3002 233.033 -110.12 169.422 37.3048 152.679 PRESSAVG: 4046400 -14.4833 -7.96618 -9.32266 -7.96626 12.2276 49.5168 -9.32269 49.5168 2.6564 GPRESSAVG: 4046400 -14.2285 -7.65321 -9.80292 -5.74593 12.3899 51.2869 -10.0135 47.405 2.03823 TIMING: 4046400 CPU: 12795.4, 0.0031598/step Wall: 12795.4, 0.0031598/step, 0.836996 hours remaining, 238.671875 MB of memory in use. ENERGY: 4046400 4012.8843 20424.1545 14455.1691 260.9539 -203034.1407 2857.0329 0.0000 0.0000 52060.1619 -108963.7840 299.1905 -161023.9460 -108598.2849 300.4474 121.2802 156.2417 763946.9379 0.1336 0.0665 PRESSURE: 4046600 242.492 303.707 -122.68 303.707 297.077 22.8565 -122.679 22.8557 81.1636 GPRESSURE: 4046600 294.141 253.965 -76.5155 231.734 324.378 53.5231 -78.795 38.3892 75.3352 PRESSAVG: 4046600 -2.44668 -27.4859 -6.50356 -27.486 -42.3388 -14.925 -6.50361 -14.925 26.22 GPRESSAVG: 4046600 -1.86777 -28.5261 -7.12658 -29.3339 -43.566 -16.588 -4.68191 -13.3874 26.9382 TIMING: 4046600 CPU: 12796.1, 0.00316318/step Wall: 12796.1, 0.00316318/step, 0.837715 hours remaining, 238.671875 MB of memory in use. ENERGY: 4046600 3949.2948 20562.6165 14537.0228 226.3999 -203221.2117 2572.2439 0.0000 0.0000 52264.1768 -109109.4570 300.3629 -161373.6338 -108758.1202 299.6178 206.9107 231.2849 762453.5608 -6.1885 -6.1652 PRESSURE: 4046800 -159.574 -82.4328 -9.89925 -82.4319 -186.267 -68.7878 -9.899 -68.7881 -1.94228 GPRESSURE: 4046800 -149.865 -78.6875 49.8039 -72.2077 -143.611 82.1037 -61.6422 -49.8192 19.0502 PRESSAVG: 4046800 -19.4968 33.5497 5.28579 33.5497 16.4521 21.5098 5.28577 21.5098 6.679 GPRESSAVG: 4046800 -20.0498 33.5012 5.99595 33.184 17.0712 22.6783 3.9636 21.8348 6.20187 TIMING: 4046800 CPU: 12796.7, 0.00315534/step Wall: 12796.7, 0.00315534/step, 0.835463 hours remaining, 238.671875 MB of memory in use. ENERGY: 4046800 4033.5280 20607.6853 14537.3314 263.4541 -203081.3468 2537.4169 0.0000 0.0000 52011.8873 -109090.0438 298.9130 -161101.9311 -108725.9301 299.4801 -115.9279 -91.4751 761848.0670 1.2114 1.0744 PRESSURE: 4047000 116.118 -166.319 125.305 -166.319 -245.728 97.8821 125.304 97.8826 256.98 GPRESSURE: 4047000 43.1692 -90.2583 43.9005 -62.1853 -146.71 -13.6021 181.927 92.3101 317.494 PRESSAVG: 4047000 -18.6734 -68.3543 -10.1921 -68.3543 33.4297 42.7882 -10.1921 42.7883 12.9201 GPRESSAVG: 4047000 -19.0026 -67.8005 -10.0413 -68.259 33.8457 42.171 -9.834 42.9776 12.776 TIMING: 4047000 CPU: 12797.3, 0.0031761/step Wall: 12797.3, 0.0031761/step, 0.840784 hours remaining, 238.671875 MB of memory in use. ENERGY: 4047000 3916.4883 20542.3230 14440.8305 251.1454 -202970.1010 2514.2463 0.0000 0.0000 52139.0009 -109166.0666 299.6436 -161305.0675 -108805.6445 299.8918 42.4566 71.3178 760249.3623 9.2255 9.2064 PRESSURE: 4047200 208.533 -59.5008 113.964 -59.501 -110.933 205.205 113.965 205.203 -340.204 GPRESSURE: 4047200 214.36 17.8897 121.987 -103.093 -67.3617 152.999 87.2447 214.521 -305.089 PRESSAVG: 4047200 -22.6583 -1.42822 49.4203 -1.42823 12.3981 20.7572 49.4203 20.7572 8.03832 GPRESSAVG: 4047200 -22.6879 -2.39105 49.7361 1.66213 12.6376 20.272 48.8356 19.9455 7.86977 TIMING: 4047200 CPU: 12798, 0.00315208/step Wall: 12798, 0.00315208/step, 0.83425 hours remaining, 238.671875 MB of memory in use. ENERGY: 4047200 3944.9936 20413.2973 14379.9968 237.0695 -203071.9706 2737.6340 0.0000 0.0000 52058.3589 -109300.6205 299.1801 -161358.9793 -108939.0888 299.4247 -80.8679 -52.6969 761573.9552 -0.7406 -0.7268 PRESSURE: 4047400 93.7631 12.2464 -13.2497 12.2466 133.836 -93.8975 -13.2507 -93.8975 184.274 GPRESSURE: 4047400 56.7985 9.03933 60.1651 -96.4464 206.187 -68.1623 -12.5983 26.7722 238.515 PRESSAVG: 4047400 38.6151 -43.447 11.2552 -43.447 7.84163 32.7742 11.2552 32.7742 11.3605 GPRESSAVG: 4047400 39.1278 -42.9124 11.6451 -45.4816 5.53221 34.5579 11.5579 34.512 13.2053 TIMING: 4047400 CPU: 12798.6, 0.00313993/step Wall: 12798.6, 0.00313993/step, 0.83086 hours remaining, 238.671875 MB of memory in use. ENERGY: 4047400 4032.4690 20320.8350 14474.8189 219.9494 -202912.9190 2440.3099 0.0000 0.0000 52199.1301 -109225.4068 299.9891 -161424.5369 -108856.9087 299.2030 137.2911 167.1669 761044.0172 19.2724 19.2884 PRESSURE: 4047600 190.8 23.4705 171.007 23.47 -258.069 -245.349 171.008 -245.348 14.314 GPRESSURE: 4047600 223.833 54.6422 86.8518 -150.163 -236.908 -167.458 77.0623 -228.202 36.2434 PRESSAVG: 4047600 -18.383 3.01116 -34.0293 3.0112 20.5236 41.0594 -34.0293 41.0594 11.1768 GPRESSAVG: 4047600 -18.4548 3.00568 -34.9794 0.464259 22.435 38.917 -33.0845 39.6189 9.22137 TIMING: 4047600 CPU: 12799.2, 0.00313853/step Wall: 12799.2, 0.00313853/step, 0.830315 hours remaining, 238.671875 MB of memory in use. ENERGY: 4047600 3976.5703 20747.3497 14500.3683 215.9878 -203245.8665 2675.1678 0.0000 0.0000 52020.7476 -109109.6748 298.9640 -161130.4225 -108764.3660 300.3291 -17.6517 7.7229 762241.7443 4.4391 4.4005 PRESSURE: 4047800 50.5919 -35.3354 -17.4371 -35.3348 -262.957 169.037 -17.4373 169.036 -62.4637 GPRESSURE: 4047800 154.254 -137.547 -33.8404 11.5861 -205.31 177.689 -8.51567 125.495 -128.305 PRESSAVG: 4047800 -22.7078 -20.6338 43.0013 -20.6338 -21.192 12.7164 43.0013 12.7164 13.2686 GPRESSAVG: 4047800 -21.2464 -19.5251 42.625 -19.8045 -21.4843 14.4098 41.5583 12.5811 12.572 TIMING: 4047800 CPU: 12799.8, 0.00316815/step Wall: 12799.8, 0.00316815/step, 0.837976 hours remaining, 238.671875 MB of memory in use. ENERGY: 4047800 3971.8012 20451.7177 14384.7953 268.6651 -203170.4816 2626.3880 0.0000 0.0000 52161.1859 -109305.9284 299.7711 -161467.1143 -108941.0568 299.7807 -91.6098 -59.7874 762995.0187 -10.2104 -10.0529 PRESSURE: 4048000 -180.898 138.577 -58.9004 138.577 -40.1571 121.105 -58.9007 121.104 35.4662 GPRESSURE: 4048000 -142.652 140.943 19.6669 152.617 -29.9789 124.519 -34.6781 233.76 86.979 PRESSAVG: 4048000 21.1266 -18.4013 -44.0711 -18.4012 -17.0426 57.2599 -44.0711 57.2599 -7.53078 GPRESSAVG: 4048000 21.2954 -18.8372 -45.5091 -19.7753 -17.3851 55.7399 -42.4891 57.3298 -6.97774 TIMING: 4048000 CPU: 12800.5, 0.00315938/step Wall: 12800.5, 0.00315938/step, 0.835481 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4048000 4039.1017 20305.6330 14405.7159 248.9614 -203056.1007 2451.1585 0.0000 0.0000 52302.5231 -109303.0070 300.5833 -161605.5302 -108935.1808 299.8746 -61.8631 -28.5506 760964.2020 -1.1489 -1.0225 PRESSURE: 4048200 -74.1504 9.99652 -142.572 9.99623 -228.619 -175.837 -142.572 -175.836 332.106 GPRESSURE: 4048200 -11.3916 62.9501 -182.608 90.287 -216.125 -147.816 -54.5986 -121.744 328.804 PRESSAVG: 4048200 -33.1755 -38.3259 -1.85318 -38.3259 1.44023 16.0027 -1.85316 16.0027 -7.63596 GPRESSAVG: 4048200 -32.947 -39.1341 -0.535459 -36.9304 0.806183 16.7067 -2.55808 17.4022 -7.79682 TIMING: 4048200 CPU: 12801.1, 0.0031708/step Wall: 12801.1, 0.0031708/step, 0.838323 hours remaining, 238.671875 MB of memory in use. ENERGY: 4048200 3972.8212 20370.5164 14461.6454 258.2913 -202934.8599 2527.7985 0.0000 0.0000 51984.1046 -109359.6825 298.7534 -161343.7871 -108996.8258 299.5154 9.7790 33.7626 761406.1946 -13.1237 -13.3125 LDB: ============= START OF LOAD BALANCING ============== 12813.5 LDB: ============== END OF LOAD BALANCING =============== 12813.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12813.5 LDB: ============= START OF LOAD BALANCING ============== 12813.8 LDB: Largest compute 7031 load 0.034664 is 17.7% of average load 0.196012 LDB: Average compute 0.004386 is 2.2% of average load 0.196012 LDB: TIME 12813.8 LOAD: AVG 0.196012 MAX 0.215277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 12813.8 LOAD: AVG 0.196012 MAX 0.215277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 12813.8 LOAD: AVG 0.196012 MAX 0.215277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12813.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12813.8 PRESSURE: 4048400 3.96325 145.515 -145.374 145.516 -194.842 -35.368 -145.375 -35.3688 386.331 GPRESSURE: 4048400 28.619 138.277 -156.57 87.3522 -79.4437 46.2855 -152.763 -66.1128 340.447 PRESSAVG: 4048400 7.09714 -51.4083 26.8023 -51.4082 -26.0598 -50.2849 26.8023 -50.2849 21.7719 GPRESSAVG: 4048400 4.50726 -51.1552 26.0938 -51.9423 -23.8456 -48.8878 26.2887 -50.5013 22.2735 TIMING: 4048400 CPU: 12801.8, 0.00324755/step Wall: 12801.8, 0.00324755/step, 0.858437 hours remaining, 238.152344 MB of memory in use. ENERGY: 4048400 3894.2033 20601.6952 14497.2416 259.0987 -203519.4845 2860.6462 0.0000 0.0000 51960.2296 -109446.3699 298.6162 -161406.5996 -109093.7886 298.7521 65.1506 96.5409 762055.2312 0.9364 0.9784 PRESSURE: 4048600 -555.84 -92.3107 98.4232 -92.3107 -343.584 -69.8213 98.4232 -69.8203 -515.031 GPRESSURE: 4048600 -550.008 -43.1005 27.4941 -112.916 -341.959 -111.408 29.5911 -49.9341 -433.643 PRESSAVG: 4048600 -40.6538 -43.2849 24.3584 -43.285 9.14115 -62.2286 24.3584 -62.2285 -7.93964 GPRESSAVG: 4048600 -39.0648 -42.6133 25.9229 -43.3268 6.95188 -63.1745 22.4879 -62.1599 -7.29069 TIMING: 4048600 CPU: 12802.4, 0.00317963/step Wall: 12802.4, 0.00317963/step, 0.840304 hours remaining, 238.152344 MB of memory in use. ENERGY: 4048600 4017.5883 20346.0277 14475.5019 248.7351 -203046.9656 2283.1811 0.0000 0.0000 52199.5421 -109476.3894 299.9915 -161675.9315 -109112.5162 299.4019 -471.4852 -441.8699 763484.0925 -13.1508 -13.1345 PRESSURE: 4048800 -81.882 -162.335 30.4943 -162.336 -139.947 -228.07 30.494 -228.069 127.049 GPRESSURE: 4048800 -141.886 -149.628 -0.48996 -232.292 -56.8268 -172.124 -32.7568 -125.811 202.962 PRESSAVG: 4048800 9.19707 -57.1573 -1.15261 -57.1574 -52.6181 -35.2446 -1.15265 -35.2447 7.29906 GPRESSAVG: 4048800 9.37952 -59.0144 -1.0894 -55.9749 -50.7825 -34.5015 0.0456456 -35.7221 5.43049 TIMING: 4048800 CPU: 12803, 0.00318176/step Wall: 12803, 0.00318176/step, 0.840693 hours remaining, 238.152344 MB of memory in use. ENERGY: 4048800 3974.8954 20491.3687 14399.0819 247.6102 -203126.1823 2375.8515 0.0000 0.0000 52067.8381 -109569.5366 299.2346 -161637.3747 -109215.1834 299.5322 -31.5934 1.4166 761851.3062 -12.0406 -11.9908 PRESSURE: 4049000 366.352 -46.1822 -59.1783 -46.1826 148.86 -6.96126 -59.1781 -6.96244 376.434 GPRESSURE: 4049000 322.461 -74.5755 -42.3115 8.48382 191.068 -62.6476 -11.4479 38.9266 469.048 PRESSAVG: 4049000 71.6881 -32.7511 -24.3228 -32.7511 -52.1729 -14.0049 -24.3228 -14.005 3.99757 GPRESSAVG: 4049000 72.1961 -31.9904 -25.1711 -33.4944 -53.1647 -13.7342 -24.9881 -15.5035 4.47566 TIMING: 4049000 CPU: 12803.7, 0.00317062/step Wall: 12803.7, 0.00317062/step, 0.837572 hours remaining, 238.152344 MB of memory in use. ENERGY: 4049000 3918.5577 20492.6046 14389.2826 257.5825 -203780.1357 2848.4042 0.0000 0.0000 51993.3464 -109880.3578 298.8065 -161873.7042 -109514.1563 299.0774 297.2154 327.5256 761040.8459 7.8376 7.8357 PRESSURE: 4049200 -68.3639 86.4477 150.309 86.4465 -358.576 178.67 150.31 178.67 -41.4854 GPRESSURE: 4049200 -48.8979 167.508 263.961 28.9516 -337.533 187.998 95.703 244.182 0.1009 PRESSAVG: 4049200 76.7688 -37.1276 -19.6369 -37.1276 -12.5008 58.754 -19.6369 58.754 -9.57482 GPRESSAVG: 4049200 76.5205 -38.6339 -19.5352 -35.3296 -12.8661 57.3996 -19.487 57.9844 -9.07069 TIMING: 4049200 CPU: 12804.3, 0.00315816/step Wall: 12804.3, 0.00315816/step, 0.834104 hours remaining, 238.152344 MB of memory in use. ENERGY: 4049200 3828.1243 20578.6743 14367.9667 251.2309 -203535.5965 2620.5897 0.0000 0.0000 52098.1331 -109790.8775 299.4087 -161889.0106 -109419.6499 299.0083 -156.1417 -128.7768 764198.3402 18.2311 18.1946 PRESSURE: 4049400 141.063 -62.8041 -195.549 -62.8037 185.783 -29.4743 -195.548 -29.4751 -200.977 GPRESSURE: 4049400 228.723 23.1067 -212.638 -9.20312 170.804 -22.0019 -254.626 -18.8752 -191.053 PRESSAVG: 4049400 -23.0865 -6.72246 -73.5727 -6.72248 -40.9802 -13.9269 -73.5728 -13.9269 -23.2915 GPRESSAVG: 4049400 -23.0276 -4.73655 -72.7111 -9.66505 -40.2197 -13.8653 -73.1683 -10.9587 -23.9082 TIMING: 4049400 CPU: 12804.9, 0.00317271/step Wall: 12804.9, 0.00317271/step, 0.837772 hours remaining, 238.152344 MB of memory in use. ENERGY: 4049400 3903.5922 20521.9353 14395.7924 246.0388 -203540.1060 2659.4998 0.0000 0.0000 51782.1797 -110031.0678 297.5929 -161813.2475 -109678.4878 298.5061 41.9566 69.4913 762066.3164 -29.1194 -29.0518 PRESSURE: 4049600 116.119 -122.556 -64.7276 -122.556 36.1126 56.1377 -64.7279 56.1385 343.006 GPRESSURE: 4049600 88.5304 -41.1919 -138.763 -113.168 122.732 29.1826 -36.6417 76.4632 373.315 PRESSAVG: 4049600 -48.8679 -10.6508 -49.5403 -10.6507 61.8632 -10.8899 -49.5403 -10.8899 -12.6331 GPRESSAVG: 4049600 -49.4661 -10.1285 -50.5619 -8.8803 61.999 -11.1813 -49.0794 -10.2788 -11.819 TIMING: 4049600 CPU: 12805.6, 0.00317381/step Wall: 12805.6, 0.00317381/step, 0.837886 hours remaining, 238.152344 MB of memory in use. ENERGY: 4049600 3901.1275 20465.1806 14447.6597 230.1846 -203885.3873 2850.1692 0.0000 0.0000 52161.9060 -109829.1597 299.7752 -161991.0657 -109472.6693 298.5457 165.0791 194.8593 759058.9803 0.1207 0.2380 PRESSURE: 4049800 237.726 -61.9162 -222.168 -61.9163 -72.8515 -123.302 -222.167 -123.303 45.3104 GPRESSURE: 4049800 310.807 -8.0097 -161.344 -12.4792 -19.1955 -129.45 -122.973 -183.003 -15.1233 PRESSAVG: 4049800 -12.998 25.172 -44.4523 25.1719 19.9601 -2.99639 -44.4523 -2.99634 16.677 GPRESSAVG: 4049800 -12.638 24.181 -41.9864 25.3078 20.3653 -1.76666 -45.8507 -5.33153 16.1863 TIMING: 4049800 CPU: 12806.2, 0.00315337/step Wall: 12806.2, 0.00315337/step, 0.832314 hours remaining, 238.152344 MB of memory in use. ENERGY: 4049800 3928.1553 20500.8198 14431.7485 245.7384 -203622.0918 2669.6046 0.0000 0.0000 51799.6238 -110046.4014 297.6932 -161846.0252 -109693.9775 298.7539 70.0617 92.1627 761059.7297 7.8797 7.9712 PRESSURE: 4050000 -260.914 -41.6906 -139.323 -41.6906 -484.192 104.374 -139.323 104.374 -125.901 GPRESSURE: 4050000 -307.587 14.6374 -81.9149 -24.0234 -435.499 155.573 -131.054 107.394 -55.9939 PRESSAVG: 4050000 -0.838357 -9.73537 -42.0145 -9.73544 10.1962 -55.7477 -42.0146 -55.7477 -27.3149 GPRESSAVG: 4050000 -1.53405 -8.29932 -42.0962 -9.62905 10.728 -57.287 -43.4028 -53.8194 -27.4723 TIMING: 4050000 CPU: 12806.8, 0.00316024/step Wall: 12806.8, 0.00316024/step, 0.833953 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4050000 3978.8093 20358.1851 14431.2383 245.0212 -203600.5045 2561.3376 0.0000 0.0000 52067.6993 -109958.2135 299.2338 -162025.9129 -109595.1133 298.2392 -290.3358 -266.3598 763625.8539 -5.9857 -6.0928 PRESSURE: 4050200 -196.374 -227.664 332.201 -227.664 -43.5569 11.6073 332.201 11.6075 99.9598 GPRESSURE: 4050200 -87.5402 -233.865 253.293 -252.006 40.3678 43.4098 317.006 125.759 -3.41006 PRESSAVG: 4050200 72.9211 -38.9847 2.79892 -38.9847 -48.9189 26.3318 2.79894 26.3317 -6.15177 GPRESSAVG: 4050200 74.1553 -39.2086 0.065359 -39.6789 -49.276 25.5279 5.00383 26.0199 -7.06823 TIMING: 4050200 CPU: 12807.5, 0.00315818/step Wall: 12807.5, 0.00315818/step, 0.833233 hours remaining, 238.152344 MB of memory in use. ENERGY: 4050200 4016.6863 20445.7599 14440.4670 261.7179 -204169.5731 3003.7395 0.0000 0.0000 51995.8394 -110005.3631 298.8208 -162001.2025 -109640.7354 298.6115 -46.6570 -16.8608 759676.8742 5.9501 5.9370 PRESSURE: 4050400 -174.9 103.54 -139.695 103.54 -504.969 94.8165 -139.695 94.8168 280.391 GPRESSURE: 4050400 -177.057 59.2972 -165.978 220.804 -427.089 74.1142 -248.591 117.445 310.531 PRESSAVG: 4050400 9.65706 1.0787 12.763 1.07872 -19.3221 13.8131 12.763 13.8132 8.7092 GPRESSAVG: 4050400 9.26046 1.39243 13.575 -0.320302 -20.413 15.0193 12.6534 11.8586 10.1511 TIMING: 4050400 CPU: 12808.1, 0.00315216/step Wall: 12808.1, 0.00315216/step, 0.83147 hours remaining, 238.152344 MB of memory in use. ENERGY: 4050400 4028.0036 20541.6016 14399.7802 238.6162 -203550.4577 2513.7278 0.0000 0.0000 51884.6401 -109944.0882 298.1817 -161828.7283 -109587.4906 298.8051 -133.1595 -97.8717 761107.9251 -0.3186 -0.3338 PRESSURE: 4050600 386.873 -78.6107 -111.98 -78.6109 103.457 22.7244 -111.98 22.7247 -118.177 GPRESSURE: 4050600 385.325 4.42528 -74.2904 109.93 153.275 76.5093 -126.037 19.8538 -79.7456 PRESSAVG: 4050600 53.0092 -32.6903 -26.8747 -32.6903 -23.159 31.3653 -26.8748 31.3653 -3.70509 GPRESSAVG: 4050600 53.6659 -32.0694 -25.2753 -31.7731 -22.6199 32.5006 -26.6489 33.103 -4.85765 TIMING: 4050600 CPU: 12808.7, 0.00316263/step Wall: 12808.7, 0.00316263/step, 0.834056 hours remaining, 238.152344 MB of memory in use. ENERGY: 4050600 4033.7588 20477.0420 14437.0495 234.5797 -203742.4510 2659.6075 0.0000 0.0000 52030.1139 -109870.2995 299.0178 -161900.4134 -109513.4736 298.5176 124.0510 152.9515 760745.7275 8.7150 8.7294 PRESSURE: 4050800 -196.674 36.7637 189.389 36.764 -45.0512 139.567 189.389 139.568 56.3219 GPRESSURE: 4050800 -287.122 -63.9429 180.09 64.4945 112.199 38.0292 340.403 204.868 63.6225 PRESSAVG: 4050800 -3.82831 -30.9178 -33.8434 -30.9177 0.400373 43.8959 -33.8434 43.8959 2.42107 GPRESSAVG: 4050800 -4.89411 -31.8106 -33.7741 -32.5292 0.191414 43.0643 -33.2496 42.5582 3.56614 TIMING: 4050800 CPU: 12809.4, 0.00315844/step Wall: 12809.4, 0.00315844/step, 0.832776 hours remaining, 238.152344 MB of memory in use. ENERGY: 4050800 3997.2722 20496.0192 14403.1165 213.8677 -203114.7967 2309.3338 0.0000 0.0000 51850.7389 -109844.4485 297.9869 -161695.1874 -109476.0901 298.3847 -61.8010 -37.1001 762084.2990 -0.3356 -0.3789 PRESSURE: 4051000 -17.6845 -63.9536 -86.0715 -63.9529 -341.136 85.9011 -86.0714 85.9015 -524.87 GPRESSURE: 4051000 -93.6528 146.71 -62.5191 -94.1945 -271.25 94.3517 -130.931 95.4383 -412.962 PRESSAVG: 4051000 -43.7425 -4.55981 21.0642 -4.5598 57.4789 -29.9292 21.0641 -29.9292 5.00042 GPRESSAVG: 4051000 -43.1737 -4.66148 19.9428 -3.88874 59.0719 -30.5596 21.8465 -30.2703 3.02361 TIMING: 4051000 CPU: 12810, 0.00316954/step Wall: 12810, 0.00316954/step, 0.835525 hours remaining, 238.152344 MB of memory in use. ENERGY: 4051000 4065.9671 20450.1467 14375.8788 243.0459 -203615.2488 2820.4672 0.0000 0.0000 52116.9983 -109542.7448 299.5171 -161659.7431 -109179.9009 299.2501 -294.5637 -259.2880 763099.6139 6.2456 6.3073 PRESSURE: 4051200 176.056 48.0775 201.265 48.0768 -65.5326 -129.094 201.266 -129.094 107.73 GPRESSURE: 4051200 185.794 -8.42372 187.734 66.9709 27.0699 -87.9011 148.185 41.3853 101.982 PRESSAVG: 4051200 -5.40148 25.9156 -9.73603 25.9156 7.48746 35.6855 -9.73603 35.6855 27.2166 GPRESSAVG: 4051200 -6.88683 25.8628 -10.5965 26.6555 7.24299 34.5337 -10.5925 37.2537 28.5195 TIMING: 4051200 CPU: 12810.6, 0.00315575/step Wall: 12810.6, 0.00315574/step, 0.831714 hours remaining, 238.152344 MB of memory in use. ENERGY: 4051200 3979.6121 20469.9423 14394.1125 246.6301 -203313.2463 2742.0110 0.0000 0.0000 51925.7495 -109555.1889 298.4180 -161480.9383 -109191.0024 299.5216 72.7510 104.9486 762461.1193 9.7675 9.6252 PRESSURE: 4051400 -80.3129 58.2331 9.38824 58.2326 -52.7052 170.916 9.38838 170.917 -12.2896 GPRESSURE: 4051400 22.6161 1.32126 -98.549 -1.05488 -11.1981 65.5334 151.967 98.3544 -61.4229 PRESSAVG: 4051400 -11.5765 -7.04716 -54.0219 -7.04709 9.76467 44.3153 -54.0219 44.3153 -11.6953 GPRESSAVG: 4051400 -11.361 -6.96575 -55.6068 -8.80462 10.1546 45.3674 -54.2759 41.812 -12.1012 TIMING: 4051400 CPU: 12811.3, 0.00317877/step Wall: 12811.3, 0.00317877/step, 0.837605 hours remaining, 238.152344 MB of memory in use. ENERGY: 4051400 3982.4068 20535.2309 14406.5271 259.7053 -203270.8594 2567.2289 0.0000 0.0000 51968.4048 -109551.3556 298.6631 -161519.7603 -109197.7956 298.9095 -48.4359 -16.6683 761799.7456 -4.5024 -4.4359 PRESSURE: 4051600 88.0774 -38.7466 -38.4347 -38.7471 39.7849 4.25671 -38.4342 4.2574 -390.667 GPRESSURE: 4051600 88.8753 -48.568 -81.7719 -0.507798 105.66 23.9111 -45.0706 69.3773 -369.365 PRESSAVG: 4051600 -22.8537 -13.3465 -44.6426 -13.3466 37.1364 17.0355 -44.6426 17.0355 -22.5391 GPRESSAVG: 4051600 -22.6963 -13.2787 -42.5732 -11.4742 36.2411 16.6208 -44.8193 17.8333 -21.9347 TIMING: 4051600 CPU: 12811.9, 0.00317757/step Wall: 12811.9, 0.00317757/step, 0.837112 hours remaining, 238.152344 MB of memory in use. ENERGY: 4051600 3968.2977 20526.7546 14376.6962 234.0198 -203127.5748 2693.0483 0.0000 0.0000 51902.4929 -109426.2653 298.2843 -161328.7582 -109061.5015 298.6299 -87.6016 -58.2763 764630.6706 -2.7521 -2.7967 PRESSURE: 4051800 -188.988 -25.5049 -140.215 -25.505 55.6849 -200.909 -140.215 -200.909 -282.06 GPRESSURE: 4051800 -167.209 105.861 -77.3904 -18.5999 58.017 -276.184 -162.539 -134.645 -224.368 PRESSAVG: 4051800 -36.1708 -10.4603 -100.112 -10.4603 60.0727 -35.4808 -100.112 -35.4808 -29.4022 GPRESSAVG: 4051800 -35.5799 -11.1463 -98.2539 -11.0838 59.3473 -35.654 -100.099 -34.2071 -29.0347 TIMING: 4051800 CPU: 12812.5, 0.00314732/step Wall: 12812.5, 0.00314732/step, 0.828968 hours remaining, 238.152344 MB of memory in use. ENERGY: 4051800 3997.2840 20477.6584 14395.4198 242.5614 -203423.1834 2693.8729 0.0000 0.0000 52159.4147 -109456.9721 299.7609 -161616.3869 -109095.0126 299.4285 -138.4545 -111.1869 762410.6900 -1.8334 -1.7558 PRESSURE: 4052000 81.9255 -44.7662 146.799 -44.7657 204.908 338.575 146.799 338.574 -326.762 GPRESSURE: 4052000 148.755 77.7652 191.369 -169.879 137.203 322.473 154.555 274.523 -253.257 PRESSAVG: 4052000 -7.96068 11.0555 -24.0165 11.0555 10.1767 2.20874 -24.0166 2.20885 -21.0666 GPRESSAVG: 4052000 -9.41688 12.4814 -25.7623 10.3726 11.087 3.26382 -23.3793 0.502153 -20.484 TIMING: 4052000 CPU: 12813.1, 0.00314467/step Wall: 12813.1, 0.00314467/step, 0.828095 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4052000 3950.3153 20548.6033 14348.6679 256.2228 -203398.0066 2717.3786 0.0000 0.0000 51876.0595 -109700.7593 298.1324 -161576.8187 -109340.2454 299.1090 -13.3095 10.9003 762819.5061 -6.2835 -6.2713 PRESSURE: 4052200 -137.856 -207.986 -137.541 -207.987 -175.718 96.5557 -137.542 96.5561 194.352 GPRESSURE: 4052200 -104.3 -163.764 -136.88 -193.211 -135.626 41.2657 -97.1899 93.6936 199.96 PRESSAVG: 4052200 -46.5645 -27.4447 -68.5494 -27.4447 34.0096 18.9461 -68.5494 18.9461 -8.02297 GPRESSAVG: 4052200 -44.8926 -27.2498 -67.6965 -28.2409 33.6108 16.7408 -68.6733 20.8457 -9.22575 TIMING: 4052200 CPU: 12813.8, 0.00315874/step Wall: 12813.8, 0.00315874/step, 0.831625 hours remaining, 238.152344 MB of memory in use. ENERGY: 4052200 3973.0801 20463.3617 14514.3756 252.0088 -203235.9402 2497.2286 0.0000 0.0000 51885.3147 -109650.5706 298.1856 -161535.8854 -109290.4656 299.0600 -39.7407 -13.3218 763885.1712 -6.8593 -6.8359 LDB: ============= START OF LOAD BALANCING ============== 12826.2 LDB: ============== END OF LOAD BALANCING =============== 12826.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12826.2 LDB: ============= START OF LOAD BALANCING ============== 12826.5 LDB: Largest compute 7031 load 0.034344 is 17.5% of average load 0.196143 LDB: Average compute 0.004374 is 2.2% of average load 0.196143 LDB: TIME 12826.5 LOAD: AVG 0.196143 MAX 0.217143 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.723 MB LDB: TIME 12826.5 LOAD: AVG 0.196143 MAX 0.217143 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.789 MB LDB: TIME 12826.5 LOAD: AVG 0.196143 MAX 0.217143 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.789 MB LDB: ============== END OF LOAD BALANCING =============== 12826.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12826.5 PRESSURE: 4052400 -159.309 13.0468 59.3841 13.0452 -221.184 66.0903 59.3827 66.0899 -150.691 GPRESSURE: 4052400 -114.071 -77.1034 122.462 -20.0868 -197.855 11.8849 -98.8683 71.6264 -137.097 PRESSAVG: 4052400 5.16953 -32.0669 -27.7069 -32.0669 4.92245 51.3881 -27.7069 51.3881 -9.42819 GPRESSAVG: 4052400 6.0089 -33.346 -27.554 -30.7683 3.48092 54.0307 -29.0971 48.3735 -9.55247 TIMING: 4052400 CPU: 12814.4, 0.00324839/step Wall: 12814.4, 0.00324839/step, 0.855048 hours remaining, 238.664062 MB of memory in use. ENERGY: 4052400 3966.2134 20357.9772 14459.6561 249.8904 -203420.9759 2413.5198 0.0000 0.0000 52212.3552 -109761.3637 300.0651 -161973.7189 -109377.0730 298.9137 -177.0613 -149.6742 761693.6073 0.2213 -0.0209 PRESSURE: 4052600 112.467 7.05383 -83.289 7.05437 174.885 -17.1656 -83.2893 -17.1663 175.068 GPRESSURE: 4052600 70.1724 -7.84217 -56.6788 -48.5909 302.559 23.1083 -177.554 83.4228 175.004 PRESSAVG: 4052600 23.6845 51.4756 -46.3032 51.4756 -38.0395 80.9246 -46.3032 80.9245 -10.3557 GPRESSAVG: 4052600 22.1774 51.6665 -46.9164 48.8822 -35.9198 80.1545 -46.194 82.7784 -10.3242 TIMING: 4052600 CPU: 12815.1, 0.00316395/step Wall: 12815.1, 0.00316395/step, 0.832646 hours remaining, 238.867188 MB of memory in use. ENERGY: 4052600 3902.0850 20622.6488 14374.8634 265.2353 -203578.4370 2637.8756 0.0000 0.0000 52042.3824 -109733.3464 299.0883 -161775.7289 -109376.3416 299.0791 154.1398 182.5785 763402.9648 -8.2369 -8.0222 PRESSURE: 4052800 297.149 -90.1584 244.272 -90.1586 -248.375 141.737 244.271 141.737 -132.647 GPRESSURE: 4052800 342.595 -81.9535 314.739 -57.7872 -265.01 109.699 284.751 241.745 -78.0802 PRESSAVG: 4052800 4.83415 -23.5533 -38.7476 -23.5533 -0.668784 68.2766 -38.7475 68.2766 13.7762 GPRESSAVG: 4052800 6.22317 -23.0628 -39.0094 -20.7368 -1.96713 69.4411 -38.9157 67.6205 13.9479 TIMING: 4052800 CPU: 12815.7, 0.00317558/step Wall: 12815.7, 0.00317558/step, 0.835531 hours remaining, 238.867188 MB of memory in use. ENERGY: 4052800 3994.2386 20416.6502 14441.6845 244.9711 -203738.3198 2705.7851 0.0000 0.0000 52213.5908 -109721.3995 300.0722 -161934.9903 -109358.0170 299.1071 -27.9578 -0.1651 761434.1437 5.9805 6.0680 PRESSURE: 4053000 4.67836 -188.835 -108.592 -188.837 44.1362 4.44041 -108.593 4.44065 -214.664 GPRESSURE: 4053000 53.1375 48.9462 -103.511 -243.159 125.226 29.0086 -112.374 -65.0147 -256.699 PRESSAVG: 4053000 -15.0647 40.7346 -39.0201 40.7346 7.12411 7.68196 -39.0202 7.68204 -21.8576 GPRESSAVG: 4053000 -15.395 41.2138 -38.4241 40.4077 8.66779 6.49097 -39.7422 8.37505 -22.6162 TIMING: 4053000 CPU: 12816.3, 0.00318327/step Wall: 12816.3, 0.00318327/step, 0.837377 hours remaining, 238.867188 MB of memory in use. ENERGY: 4053000 4043.3017 20587.8298 14392.1748 243.2858 -203453.6224 2618.4562 0.0000 0.0000 52025.5771 -109542.9969 298.9917 -161568.5740 -109185.8610 299.1400 -55.2832 -26.1119 761287.7240 -9.9327 -9.7812 PRESSURE: 4053200 -32.2469 140.313 -14.5042 140.313 82.0283 -247.254 -14.5046 -247.254 53.709 GPRESSURE: 4053200 5.62438 256.956 76.1068 165.64 87.7176 -214.207 225.618 -250.087 87.4352 PRESSAVG: 4053200 36.7539 -29.6056 -33.3239 -29.6055 -47.2946 -3.92054 -33.3239 -3.92057 5.21944 GPRESSAVG: 4053200 35.3111 -30.4796 -34.04 -30.0282 -47.8842 -3.59203 -30.0833 -5.25525 7.28257 TIMING: 4053200 CPU: 12817, 0.00315917/step Wall: 12817, 0.00315917/step, 0.830861 hours remaining, 238.867188 MB of memory in use. ENERGY: 4053200 3963.0247 20593.1018 14409.5344 241.3879 -203328.7012 2426.9992 0.0000 0.0000 52259.3739 -109435.2793 300.3353 -161694.6532 -109068.0288 299.5744 34.4968 60.2591 761804.2283 -1.7738 -1.7635 PRESSURE: 4053400 -9.90599 -75.3753 -197.898 -75.3758 60.053 -61.132 -197.898 -61.1317 -155.36 GPRESSURE: 4053400 -88.0365 -70.3113 -227.015 -80.9038 177.539 -104.495 -288.783 -144.884 -119.116 PRESSAVG: 4053400 -57.6146 2.27796 29.5814 2.27796 64.8941 -19.9912 29.5815 -19.9912 -2.3173 GPRESSAVG: 4053400 -57.2482 1.20458 29.3016 2.70942 65.8917 -19.2564 27.1083 -19.891 -3.56923 TIMING: 4053400 CPU: 12817.6, 0.00315629/step Wall: 12817.6, 0.00315629/step, 0.829928 hours remaining, 238.867188 MB of memory in use. ENERGY: 4053400 3991.1464 20698.4616 14432.1938 225.0659 -203957.2300 2996.9373 0.0000 0.0000 52265.8099 -109347.6149 300.3723 -161613.4248 -108978.1409 299.9595 -35.0711 -9.8713 762205.0734 1.6541 1.6914 PRESSURE: 4053600 -29.4364 -31.6315 -87.8002 -31.6308 132.372 322.366 -87.7998 322.366 -335.744 GPRESSURE: 4053600 30.5489 70.6817 -42.6243 12.0293 74.0213 321.693 -171.025 410.781 -258.273 PRESSAVG: 4053600 -2.43209 -74.131 -36.9122 -74.131 -9.56625 8.68816 -36.9123 8.68818 9.18224 GPRESSAVG: 4053600 -2.53228 -73.9786 -36.0567 -72.1784 -10.3083 7.77696 -38.4497 11.2803 9.72615 TIMING: 4053600 CPU: 12818.2, 0.00314027/step Wall: 12818.2, 0.00314027/step, 0.825541 hours remaining, 238.867188 MB of memory in use. ENERGY: 4053600 4048.6622 20576.4204 14410.9680 251.5390 -203672.5300 2878.7705 0.0000 0.0000 51969.8780 -109536.2920 298.6716 -161506.1700 -109170.8541 299.4339 -77.6029 -51.2344 763529.9029 -0.9387 -1.0381 PRESSURE: 4053800 219.24 23.0223 -58.9885 23.0218 460.663 50.1784 -58.9886 50.1777 -2.53758 GPRESSURE: 4053800 341.134 -140.357 -56.5135 -52.687 377.764 100.587 98.8417 5.35916 54.0798 PRESSAVG: 4053800 -14.2123 -8.21295 -27.341 -8.21294 -14.1248 52.8875 -27.341 52.8875 3.38512 GPRESSAVG: 4053800 -12.7376 -10.0008 -28.3753 -9.07918 -16.2131 51.9821 -25.8953 50.167 3.67981 TIMING: 4053800 CPU: 12818.9, 0.00315146/step Wall: 12818.9, 0.00315146/step, 0.828307 hours remaining, 238.867188 MB of memory in use. ENERGY: 4053800 3984.3118 20557.7190 14404.5481 234.7506 -203682.0716 3012.6368 0.0000 0.0000 52007.3501 -109480.7552 298.8870 -161488.1053 -109118.4163 298.8419 225.7883 257.6592 763465.4699 -8.3173 -8.4236 PRESSURE: 4054000 -81.1415 -19.3364 22.207 -19.3366 -515.108 219.57 22.208 219.569 53.0479 GPRESSURE: 4054000 -119.385 -69.8233 112.95 -6.51072 -465.485 206.849 123.411 208.203 140.29 PRESSAVG: 4054000 17.6165 1.69489 -6.26641 1.69491 -11.0404 38.9184 -6.26637 38.9183 -15.1965 GPRESSAVG: 4054000 16.6182 2.5666 -4.5505 -0.172295 -8.69914 38.968 -5.61983 40.8414 -15.3238 TIMING: 4054000 CPU: 12819.5, 0.00315309/step Wall: 12819.5, 0.00315309/step, 0.828563 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4054000 3958.5132 20433.3533 14352.3842 244.9518 -203692.6311 2893.2761 0.0000 0.0000 52234.1612 -109575.9912 300.1904 -161810.1524 -109204.7663 299.2334 -181.0672 -148.1934 763357.6527 -2.8734 -2.4682 PRESSURE: 4054200 24.6584 -49.5713 -13.8983 -49.5717 -12.952 215.295 -13.8997 215.294 -115.158 GPRESSURE: 4054200 70.5843 -17.0708 -100.664 15.8209 12.5188 135.349 -77.9054 213.005 -92.7104 PRESSAVG: 4054200 35.0442 -14.0638 -5.96639 -14.0638 -27.8043 -26.0598 -5.96636 -26.0598 -8.47631 GPRESSAVG: 4054200 36.0085 -10.1688 -6.20962 -14.7745 -28.5571 -24.9225 -6.46801 -30.1195 -8.64314 TIMING: 4054200 CPU: 12820.1, 0.00314729/step Wall: 12820.1, 0.00314729/step, 0.826863 hours remaining, 238.867188 MB of memory in use. ENERGY: 4054200 4023.9102 20481.3953 14330.5949 238.4111 -203571.7839 2650.1182 0.0000 0.0000 52032.5269 -109814.8273 299.0316 -161847.3542 -109451.8026 298.3780 -34.4838 -3.2024 762838.0417 -0.4121 -0.3972 PRESSURE: 4054400 333.079 202.917 124.393 202.917 -161.646 116.07 124.393 116.07 8.62581 GPRESSURE: 4054400 285.632 237.592 195.363 161.853 -78.4538 28.5667 212.858 196.451 56.1569 PRESSAVG: 4054400 -32.2926 -8.94459 -3.28503 -8.94462 11.1326 3.13933 -3.28503 3.13939 3.17025 GPRESSAVG: 4054400 -32.8632 -10.8131 -4.69531 -8.97206 10.472 1.19215 -1.7195 9.41272 4.11396 TIMING: 4054400 CPU: 12820.7, 0.00316639/step Wall: 12820.7, 0.00316639/step, 0.831705 hours remaining, 238.867188 MB of memory in use. ENERGY: 4054400 3955.1378 20346.4710 14433.1941 230.4189 -203735.7375 2868.6296 0.0000 0.0000 52092.0859 -109809.8000 299.3739 -161901.8860 -109450.0871 298.2809 60.0194 87.7784 763132.5400 -5.9966 -6.0924 PRESSURE: 4054600 -138.293 -101.961 82.9082 -101.961 234.5 135.318 82.9092 135.318 122.303 GPRESSURE: 4054600 -43.4158 -201.169 1.6576 -117.306 308.577 127.647 143.105 61.3879 56.5033 PRESSAVG: 4054600 -38.1164 -41.669 2.03598 -41.6691 -19.6318 26.0048 2.03599 26.0048 1.43127 GPRESSAVG: 4054600 -38.579 -40.9343 2.05427 -41.2383 -18.3838 26.3265 1.84974 21.5769 0.142215 TIMING: 4054600 CPU: 12821.4, 0.00315456/step Wall: 12821.4, 0.00315456/step, 0.828422 hours remaining, 238.867188 MB of memory in use. ENERGY: 4054600 4006.1535 20498.4759 14395.3386 263.9329 -203824.7159 3026.1114 0.0000 0.0000 52006.8848 -109627.8187 298.8843 -161634.7035 -109256.0782 299.3796 72.8369 107.2217 761866.9255 -18.7723 -18.9402 PRESSURE: 4054800 181.469 -146.645 178.836 -146.645 -284.297 94.8445 178.836 94.8447 -106.505 GPRESSURE: 4054800 169.831 -90.3385 158.715 -134.92 -211.407 99.3008 92.1806 -32.8962 -86.5068 PRESSAVG: 4054800 -5.69935 5.0989 -17.5794 5.09891 -14.3094 34.3927 -17.5793 34.3927 22.0929 GPRESSAVG: 4054800 -4.98863 3.84151 -16.6525 6.23463 -14.6272 34.9745 -20.1642 33.7163 21.9516 TIMING: 4054800 CPU: 12822, 0.00317048/step Wall: 12822, 0.00317048/step, 0.832428 hours remaining, 238.867188 MB of memory in use. ENERGY: 4054800 3955.3200 20554.1219 14404.4197 250.9229 -203821.4590 2660.3974 0.0000 0.0000 52326.7759 -109669.5013 300.7227 -161996.2772 -109308.7145 299.6035 -69.7776 -42.6941 762517.7246 0.6947 0.7786 PRESSURE: 4055000 -86.1123 127.829 -224.136 127.829 -135.424 -54.3841 -224.135 -54.3845 -80.4225 GPRESSURE: 4055000 -89.1727 -24.7128 -211.586 94.0568 -66.7128 -89.3195 -202.126 -11.3747 -67.5187 PRESSAVG: 4055000 6.34131 -21.927 6.62795 -21.927 15.4804 48.9006 6.628 48.9006 -2.52052 GPRESSAVG: 4055000 5.37021 -23.6058 4.22663 -21.1483 15.2513 47.7471 10.8923 50.5985 -1.52971 TIMING: 4055000 CPU: 12822.6, 0.00317212/step Wall: 12822.6, 0.00317212/step, 0.832681 hours remaining, 238.867188 MB of memory in use. ENERGY: 4055000 3958.6713 20503.5746 14412.1218 257.4288 -203660.9776 2726.6420 0.0000 0.0000 51809.4287 -109993.1104 297.7495 -161802.5390 -109638.0550 299.3792 -100.6528 -74.4680 761463.2405 6.4337 6.3639 PRESSURE: 4055200 368.462 -138.041 9.02636 -138.042 112.237 249.717 9.026 249.717 455.797 GPRESSURE: 4055200 366.583 -118.908 -33.1425 -69.3578 156.114 242.225 23.4935 136.558 493.273 PRESSAVG: 4055200 5.14804 -22.5972 -19.6375 -22.5972 3.06268 5.08088 -19.6375 5.08085 29.275 GPRESSAVG: 4055200 4.76378 -19.0618 -18.8504 -24.038 4.46876 5.74815 -21.5773 6.1587 28.1435 TIMING: 4055200 CPU: 12823.3, 0.00315723/step Wall: 12823.3, 0.00315723/step, 0.828597 hours remaining, 238.867188 MB of memory in use. ENERGY: 4055200 3924.8886 20564.4439 14488.7479 258.5341 -204280.9039 2996.6436 0.0000 0.0000 51903.2265 -110144.4193 298.2886 -162047.6458 -109787.2355 298.5192 312.1651 338.6569 759880.7900 12.4953 12.4587 PRESSURE: 4055400 -189.294 14.7006 -190.129 14.6997 -30.2942 -95.2774 -190.129 -95.2781 98.0429 GPRESSURE: 4055400 -111.91 80.5428 -202.24 5.59981 52.6705 -81.7003 -243.926 -122.488 21.6055 PRESSAVG: 4055400 -0.118395 -13.9876 -89.6485 -13.9876 30.5684 -43.4074 -89.6484 -43.4073 -5.80446 GPRESSAVG: 4055400 0.390052 -15.6962 -89.207 -16.2025 30.6325 -43.0721 -88.6379 -45.0802 -6.88391 TIMING: 4055400 CPU: 12823.9, 0.00315073/step Wall: 12823.9, 0.00315073/step, 0.826716 hours remaining, 238.867188 MB of memory in use. ENERGY: 4055400 3986.6637 20722.4450 14396.9788 254.8931 -203946.5146 2471.4000 0.0000 0.0000 51912.5652 -110201.5687 298.3422 -162114.1339 -109849.5480 298.2594 -40.5150 -12.5447 759203.6418 8.2152 8.0462 PRESSURE: 4055600 162.915 57.3853 80.7806 57.3856 267.05 -5.25965 80.7798 -5.2598 269.895 GPRESSURE: 4055600 123.591 -46.3521 121.005 139.433 396.769 11.2858 96.5231 -35.0813 266.543 PRESSAVG: 4055600 -32.0847 23.531 -12.8603 23.531 28.5347 -20.7377 -12.8603 -20.7377 4.8812 GPRESSAVG: 4055600 -33.5353 23.912 -12.8317 24.7817 27.7694 -22.2198 -11.5566 -20.455 7.21122 TIMING: 4055600 CPU: 12824.5, 0.00314194/step Wall: 12824.5, 0.00314195/step, 0.824237 hours remaining, 238.867188 MB of memory in use. ENERGY: 4055600 3894.5740 20333.8218 14425.9814 239.0508 -203899.3101 2876.3086 0.0000 0.0000 51830.7622 -110298.8114 297.8721 -162129.5736 -109924.3275 297.8539 233.2863 262.3009 760508.9987 0.4437 0.4818 PRESSURE: 4055800 -264.283 -53.5533 -67.8532 -53.5536 46.9125 100.947 -67.8534 100.947 256.227 GPRESSURE: 4055800 -235.293 -22.356 -0.955144 -94.9767 97.8544 27.1756 -11.8839 47.236 255.466 PRESSAVG: 4055800 -40.438 12.9232 26.8952 12.9232 57.9999 19.3683 26.8952 19.3683 6.43459 GPRESSAVG: 4055800 -38.9331 13.6788 27.9155 13.3365 57.9436 20.5923 26.1026 18.8012 4.55057 TIMING: 4055800 CPU: 12825.2, 0.00315407/step Wall: 12825.2, 0.00315407/step, 0.827243 hours remaining, 238.867188 MB of memory in use. ENERGY: 4055800 3945.9186 20365.2578 14420.4703 264.9629 -203917.3369 2680.1245 0.0000 0.0000 51868.5588 -110372.0439 298.0893 -162240.6028 -110010.3123 297.5719 12.9522 39.3422 761146.4758 7.9988 7.8537 PRESSURE: 4056000 221.672 13.5823 207.193 13.582 -59.723 86.475 207.193 86.4745 287.073 GPRESSURE: 4056000 228.538 56.8042 174.659 59.6137 -8.26206 88.9759 205.279 55.8668 322.038 PRESSAVG: 4056000 13.7242 9.78511 -9.60149 9.78513 30.8795 -5.67265 -9.60152 -5.67263 12.2392 GPRESSAVG: 4056000 14.1769 8.75603 -10.6942 8.49631 29.476 -6.3931 -9.68844 -7.83267 12.9479 TIMING: 4056000 CPU: 12825.8, 0.003161/step Wall: 12825.8, 0.003161/step, 0.828885 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4056000 3973.6999 20383.9038 14454.3221 246.7716 -204069.9051 2769.7752 0.0000 0.0000 51889.5168 -110351.9157 298.2098 -162241.4325 -109992.4757 297.8410 149.6740 180.7712 758646.2394 18.9476 18.8669 PRESSURE: 4056200 -174.873 -5.05918 16.7481 -5.05875 -394.944 21.0345 16.7491 21.0345 -60.1958 GPRESSURE: 4056200 -125.447 71.3692 40.324 17.8324 -319.816 64.3471 -71.0129 145.82 -99.5834 PRESSAVG: 4056200 -69.9446 19.6008 15.0685 19.6008 57.715 15.512 15.0686 15.512 15.6416 GPRESSAVG: 4056200 -71.0441 19.3359 16.4746 22.0333 58.6323 15.2 14.0322 17.7332 16.2775 TIMING: 4056200 CPU: 12826.4, 0.00317414/step Wall: 12826.4, 0.00317414/step, 0.832154 hours remaining, 238.867188 MB of memory in use. ENERGY: 4056200 4047.4904 20466.9707 14408.3407 257.0073 -203559.8047 2282.9164 0.0000 0.0000 51947.2510 -110149.8281 298.5416 -162097.0791 -109783.5221 298.0598 -210.0042 -181.6157 761050.9486 1.1373 1.2886 LDB: ============= START OF LOAD BALANCING ============== 12838.8 LDB: ============== END OF LOAD BALANCING =============== 12838.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12838.8 LDB: ============= START OF LOAD BALANCING ============== 12839.2 LDB: Largest compute 7068 load 0.036036 is 18.4% of average load 0.196029 LDB: Average compute 0.004371 is 2.2% of average load 0.196029 LDB: TIME 12839.2 LOAD: AVG 0.196029 MAX 0.215808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 12839.2 LOAD: AVG 0.196029 MAX 0.215808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 12839.2 LOAD: AVG 0.196029 MAX 0.215808 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 12839.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12839.2 PRESSURE: 4056400 -297.739 -296.015 -100.956 -296.015 168.737 -84.6664 -100.955 -84.6666 -277.307 GPRESSURE: 4056400 -213.173 -297.006 -140.773 -218.788 94.2363 -90.101 -53.144 -142.58 -216.955 PRESSAVG: 4056400 15.0693 -6.28836 -34.0632 -6.28843 -19.9171 -33.6089 -34.0632 -33.6089 -5.24292 GPRESSAVG: 4056400 15.4529 -4.32154 -35.4597 -9.09511 -19.4438 -32.6405 -32.3363 -34.5645 -5.83216 TIMING: 4056400 CPU: 12827.1, 0.00324927/step Wall: 12827.1, 0.00324927/step, 0.851669 hours remaining, 237.496094 MB of memory in use. ENERGY: 4056400 4017.3411 20588.5087 14441.2320 231.2860 -204162.2370 2782.2336 0.0000 0.0000 52015.6822 -110085.9533 298.9348 -162101.6355 -109731.2792 298.9392 -135.4364 -111.9637 759519.7577 -3.3636 -3.2743 PRESSURE: 4056600 -105.873 -6.61632 8.27984 -6.61548 -209.308 136.305 8.2795 136.305 116.162 GPRESSURE: 4056600 -44.9542 48.7031 -33.1117 29.0748 -214.53 125.348 87.0444 126.663 123.918 PRESSAVG: 4056600 -6.37073 -62.1163 -26.2636 -62.1163 -0.125684 -18.8221 -26.2636 -18.8221 12.7732 GPRESSAVG: 4056600 -5.67032 -63.2828 -25.2333 -61.9514 -0.366361 -19.067 -26.6827 -19.1533 12.6326 TIMING: 4056600 CPU: 12827.7, 0.00317527/step Wall: 12827.7, 0.00317527/step, 0.832097 hours remaining, 237.496094 MB of memory in use. ENERGY: 4056600 3944.4771 20349.9504 14463.0930 260.4199 -203634.1427 2421.6057 0.0000 0.0000 52235.2177 -109959.3789 300.1965 -162194.5967 -109580.7369 298.4871 -66.3396 -45.1889 761117.6523 2.0923 2.1986 PRESSURE: 4056800 -52.948 68.5654 -320.245 68.5665 35.6299 47.8833 -320.245 47.8838 -251.092 GPRESSURE: 4056800 -116.016 -58.2184 -238.493 76.2563 107.457 32.0321 -232.232 165.085 -198.569 PRESSAVG: 4056800 -17.2935 -20.6735 1.54684 -20.6735 8.03451 -11.1222 1.54682 -11.1223 2.72249 GPRESSAVG: 4056800 -17.5954 -21.132 0.516084 -19.1282 7.75509 -11.4039 2.22262 -9.28888 2.97693 TIMING: 4056800 CPU: 12828.4, 0.0031738/step Wall: 12828.4, 0.0031738/step, 0.831536 hours remaining, 237.496094 MB of memory in use. ENERGY: 4056800 4051.1732 20447.7497 14412.8633 254.8208 -203653.7454 2487.2340 0.0000 0.0000 52066.6798 -109933.2246 299.2279 -161999.9044 -109579.9002 298.5629 -89.4700 -69.0426 760861.4968 -2.1788 -2.2878 PRESSURE: 4057000 -50.1494 -77.4481 50.5848 -77.4484 -120.477 -51.4755 50.5844 -51.4764 -317.585 GPRESSURE: 4057000 -25.9689 -4.1338 24.6313 -224.127 -113.886 -36.4905 45.2059 -87.7175 -270.445 PRESSAVG: 4057000 16.7077 -12.0908 -51.0301 -12.0909 -4.775 26.6204 -51.0302 26.6204 12.7616 GPRESSAVG: 4057000 15.6938 -10.2688 -51.9504 -12.12 -4.79324 25.5965 -53.1857 26.5759 13.6581 TIMING: 4057000 CPU: 12829, 0.00316098/step Wall: 12829, 0.00316098/step, 0.828001 hours remaining, 237.496094 MB of memory in use. ENERGY: 4057000 3919.6944 20360.8036 14427.1233 237.9210 -203135.3615 2204.9073 0.0000 0.0000 52016.2125 -109968.6994 298.9379 -161984.9119 -109607.6798 298.6229 -162.7374 -136.7666 761087.0602 8.2314 8.1862 PRESSURE: 4057200 122.889 -104.942 -8.08097 -104.942 -64.507 98.6639 -8.08139 98.6641 -319.347 GPRESSURE: 4057200 120.865 -61.0036 -92.5569 -79.9673 -31.8969 44.6 59.4127 124.356 -261.942 PRESSAVG: 4057200 -9.10427 -40.4686 -64.7571 -40.4686 14.6211 8.30761 -64.7571 8.30757 24.8704 GPRESSAVG: 4057200 -8.19243 -41.6704 -63.2881 -40.2295 14.9262 8.90117 -63.0071 7.49453 23.7331 TIMING: 4057200 CPU: 12829.6, 0.00315944/step Wall: 12829.6, 0.00315945/step, 0.827424 hours remaining, 237.496094 MB of memory in use. ENERGY: 4057200 3938.5939 20497.5757 14398.1138 239.6038 -203373.7291 2650.1108 0.0000 0.0000 52179.2245 -109470.5067 299.8747 -161649.7312 -109108.1955 299.0962 -86.9883 -57.6579 761701.4857 10.1291 10.1556 PRESSURE: 4057400 -23.5844 -160.986 266.012 -160.986 -421.248 179.91 266.012 179.909 -533.82 GPRESSURE: 4057400 -77.3907 -213.377 301.278 -88.3537 -323.392 243.512 211.557 54.2703 -493.336 PRESSAVG: 4057400 -5.61249 -10.0788 -21.706 -10.0788 55.1675 -5.14667 -21.706 -5.14671 -1.52505 GPRESSAVG: 4057400 -5.80042 -12.4811 -20.7638 -10.5488 55.7095 -5.37555 -23.5838 -4.81829 -1.99561 TIMING: 4057400 CPU: 12830.2, 0.00315012/step Wall: 12830.2, 0.00315012/step, 0.824805 hours remaining, 237.496094 MB of memory in use. ENERGY: 4057400 3997.5034 20661.2938 14439.3874 242.3652 -202984.8858 2137.5307 0.0000 0.0000 52181.7987 -109325.0065 299.8895 -161506.8052 -108963.8214 299.6356 -326.2175 -298.0397 760107.2358 16.0100 15.9712 PRESSURE: 4057600 -270.188 -65.6032 -100.539 -65.6026 22.2524 -45.2626 -100.539 -45.2627 -62.8393 GPRESSURE: 4057600 -196.695 -40.8897 -120.729 -5.61428 22.44 -37.4032 -72.4438 32.0684 -45.5583 PRESSAVG: 4057600 0.138411 -26.6081 -32.4771 -26.608 -0.81163 -2.80961 -32.4771 -2.80973 -6.07517 GPRESSAVG: 4057600 0.6811 -24.2192 -31.9215 -26.5536 -2.47415 -3.61318 -34.1012 -2.08873 -4.66979 TIMING: 4057600 CPU: 12830.9, 0.00316506/step Wall: 12830.9, 0.00316506/step, 0.828542 hours remaining, 237.496094 MB of memory in use. ENERGY: 4057600 4085.0501 20567.0917 14460.3633 237.9878 -203121.7433 2342.9381 0.0000 0.0000 51978.7176 -109449.5947 298.7224 -161428.3123 -109086.8298 299.5616 -103.5915 -73.2711 762202.1531 -2.2495 -2.1543 PRESSURE: 4057800 144.447 -293.026 154.756 -293.025 59.1921 -221.754 154.757 -221.753 580.507 GPRESSURE: 4057800 167.516 -252.398 78.1846 -228.409 146.375 -175.094 187.289 -163.696 531.578 PRESSAVG: 4057800 -34.4388 26.8277 -83.6689 26.8277 31.8774 -42.3657 -83.6689 -42.3657 -2.78569 GPRESSAVG: 4057800 -34.4279 25.5982 -84.5428 27.9725 33.3611 -39.6826 -81.4651 -45.4699 -4.36728 TIMING: 4057800 CPU: 12831.5, 0.00317098/step Wall: 12831.5, 0.00317098/step, 0.829917 hours remaining, 237.496094 MB of memory in use. ENERGY: 4057800 3936.3353 20648.6455 14447.1357 248.7471 -203585.8739 2866.1697 0.0000 0.0000 52118.6187 -109320.2219 299.5264 -161438.8406 -108956.0732 299.9140 261.3820 281.8229 761812.9912 -1.7824 -1.8114 PRESSURE: 4058000 -58.2151 121.445 54.125 121.445 458.912 14.5777 54.1251 14.5774 -60.3068 GPRESSURE: 4058000 10.1096 181.062 43.177 128.5 381.338 147.744 -48.1963 -32.4235 33.4219 PRESSAVG: 4058000 -50.7395 -17.8499 3.49132 -17.85 7.22585 -7.12826 3.49136 -7.12821 -7.90892 GPRESSAVG: 4058000 -51.6516 -14.2149 3.26956 -19.8287 7.36415 -8.8897 2.90266 -4.68335 -6.92626 TIMING: 4058000 CPU: 12832.1, 0.00315347/step Wall: 12832.1, 0.00315347/step, 0.825157 hours remaining, 237.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4058000 3958.3125 20609.6436 14370.4670 246.9116 -203257.7039 2667.1288 0.0000 0.0000 52101.8282 -109303.4123 299.4299 -161405.2405 -108946.6511 300.1423 113.4633 141.6230 760663.0305 -17.1408 -17.0712 PRESSURE: 4058200 322.92 -105.062 -33.5718 -105.062 52.9519 -368.818 -33.5716 -368.819 -14.8463 GPRESSURE: 4058200 275.065 -59.5348 -88.7224 -113.817 167.744 -262.535 18.3049 -301.811 -12.2298 PRESSAVG: 4058200 4.43201 12.4795 -1.51035 12.4794 -15.4029 -4.58441 -1.51034 -4.58433 18.5471 GPRESSAVG: 4058200 5.51515 9.80793 -1.57494 14.3611 -14.278 -5.52827 -1.40561 -3.16435 15.8783 TIMING: 4058200 CPU: 12832.8, 0.00316799/step Wall: 12832.8, 0.00316799/step, 0.828782 hours remaining, 237.496094 MB of memory in use. ENERGY: 4058200 4007.9196 20620.7263 14420.6920 252.9095 -203742.5918 2597.9572 0.0000 0.0000 52391.9667 -109450.4204 301.0974 -161842.3871 -109086.7083 300.0737 120.3417 143.5264 761666.4968 2.5254 2.3718 PRESSURE: 4058400 195.923 -184.179 49.8407 -184.18 79.4755 17.1696 49.8403 17.1691 329.987 GPRESSURE: 4058400 245.77 -113.307 -11.7735 -124.687 85.1857 37.1165 99.8429 159.044 343.117 PRESSAVG: 4058400 60.3633 6.6747 11.8652 6.67472 -43.6091 24.2528 11.8652 24.2528 -17.7805 GPRESSAVG: 4058400 59.3041 7.27603 11.5441 5.82932 -43.9313 25.9815 13.0341 23.6974 -16.3939 TIMING: 4058400 CPU: 12833.4, 0.0031574/step Wall: 12833.4, 0.0031574/step, 0.825836 hours remaining, 237.496094 MB of memory in use. ENERGY: 4058400 3930.4385 20507.2027 14384.6867 246.2952 -203163.0307 2423.8986 0.0000 0.0000 52100.5318 -109569.9772 299.4225 -161670.5090 -109203.1721 299.6975 201.7952 224.6907 762310.6325 -0.3421 -0.3404 PRESSURE: 4058600 25.706 -101.858 178.494 -101.858 -31.7979 15.6341 178.494 15.6343 -399.486 GPRESSURE: 4058600 51.5085 -136.02 214.094 -125.411 8.67209 27.4918 161.292 132.861 -378.265 PRESSAVG: 4058600 45.4447 -47.6708 80.8847 -47.6708 -73.1266 12.4594 80.8847 12.4595 21.6479 GPRESSAVG: 4058600 45.6301 -49.5919 81.8792 -45.9033 -73.4328 11.585 78.721 8.79109 21.463 TIMING: 4058600 CPU: 12834, 0.00314665/step Wall: 12834, 0.00314665/step, 0.822849 hours remaining, 237.496094 MB of memory in use. ENERGY: 4058600 4022.1712 20592.4956 14386.7144 231.0369 -203335.5355 2779.2952 0.0000 0.0000 51847.9664 -109475.8558 297.9710 -161323.8222 -109110.2569 299.5243 -135.1925 -106.0282 762587.0947 -2.0113 -2.1132 PRESSURE: 4058800 -373.581 -108.556 155.184 -108.557 -64.3026 6.18813 155.184 6.18886 138.914 GPRESSURE: 4058800 -220.746 -75.4252 144 -85.5205 -138.552 -53.7025 176.345 37.3364 154.356 PRESSAVG: 4058800 -23.142 -83.3293 -4.12483 -83.3293 48.0831 -24.9509 -4.12488 -24.9509 12.8006 GPRESSAVG: 4058800 -22.2672 -80.681 -6.15382 -83.0671 47.8377 -24.003 -2.89916 -23.7861 12.3052 TIMING: 4058800 CPU: 12834.7, 0.00314469/step Wall: 12834.7, 0.00314469/step, 0.822162 hours remaining, 237.496094 MB of memory in use. ENERGY: 4058800 4009.8425 20447.0772 14494.9553 246.9545 -203503.3316 2774.1401 0.0000 0.0000 52099.1530 -109431.2090 299.4145 -161530.3620 -109068.0166 299.7031 -99.6566 -68.3142 760197.7549 12.5805 12.6252 PRESSURE: 4059000 122.472 24.7151 -5.87039 24.716 197.413 224.373 -5.87143 224.373 225.145 GPRESSURE: 4059000 194.498 -49.1954 -16.3867 18.3439 320.693 150.594 -61.4735 223.495 123.504 PRESSAVG: 4059000 -62.1511 -3.50111 36.1192 -3.5011 53.2445 43.4417 36.1191 43.4418 -19.3532 GPRESSAVG: 4059000 -62.2246 -3.31179 37.842 -4.71919 53.2494 42.5098 39.2449 44.0566 -18.9301 TIMING: 4059000 CPU: 12835.3, 0.00314466/step Wall: 12835.3, 0.00314466/step, 0.82198 hours remaining, 237.496094 MB of memory in use. ENERGY: 4059000 4045.4232 20645.6751 14342.5588 246.1714 -203655.0240 2886.4346 0.0000 0.0000 52081.9651 -109406.7957 299.3158 -161488.7608 -109051.3402 299.9765 181.6765 212.8984 761734.8718 -9.4200 -9.3018 PRESSURE: 4059200 -178.569 -121.281 -29.2166 -121.281 4.61219 -23.5242 -29.2169 -23.5246 73.6864 GPRESSURE: 4059200 -83.6835 4.58246 -49.2633 -26.5041 -30.1376 15.8052 -111.221 -10.9297 78.0091 PRESSAVG: 4059200 -65.1676 -57.1995 2.53666 -57.1994 60.384 -20.6808 2.53676 -20.6807 14.7359 GPRESSAVG: 4059200 -65.8829 -57.667 2.50255 -57.1637 61.1269 -19.9097 -2.17199 -17.9976 14.73 TIMING: 4059200 CPU: 12835.9, 0.00314176/step Wall: 12835.9, 0.00314176/step, 0.821047 hours remaining, 237.496094 MB of memory in use. ENERGY: 4059200 3942.0479 20520.5535 14398.1785 253.1948 -203670.0651 2759.2381 0.0000 0.0000 52208.1532 -109588.6991 300.0410 -161796.8522 -109221.0328 299.4604 -33.4234 -11.9373 763008.1471 3.3174 3.3247 PRESSURE: 4059400 -234.31 -68.8218 -99.6245 -68.8223 -33.6433 8.41422 -99.625 8.41425 -82.4423 GPRESSURE: 4059400 -183.803 -46.2867 -53.7769 -74.0054 -6.06165 104.366 -76.7308 5.90685 -86.811 PRESSAVG: 4059400 -32.4678 -13.6704 -21.0423 -13.6704 -11.8041 40.6607 -21.0424 40.6607 -9.46965 GPRESSAVG: 4059400 -32.8145 -12.1374 -20.7047 -12.6697 -10.7385 40.7008 -19.3605 38.7936 -10.3998 TIMING: 4059400 CPU: 12836.6, 0.0031415/step Wall: 12836.6, 0.0031415/step, 0.820804 hours remaining, 237.496094 MB of memory in use. ENERGY: 4059400 4018.7827 20587.8956 14429.7129 251.9176 -203783.0456 2801.0501 0.0000 0.0000 52206.1182 -109487.5685 300.0293 -161693.6867 -109126.7893 299.2607 -116.7984 -92.2251 761384.4240 -17.9139 -17.9843 PRESSURE: 4059600 97.9406 66.9473 241.39 66.9466 -110.688 -118.953 241.39 -118.953 -137.981 GPRESSURE: 4059600 199.142 -26.2626 143.295 83.6229 -70.036 -166.353 197.257 -93.8607 -180.23 PRESSAVG: 4059600 -51.5647 -10.5563 -15.6759 -10.5563 59.9143 36.0009 -15.6759 36.0009 2.63403 GPRESSAVG: 4059600 -50.4209 -15.2512 -16.9416 -9.14079 58.6122 35.0535 -17.6012 36.4174 3.09902 TIMING: 4059600 CPU: 12837.2, 0.00315768/step Wall: 12837.2, 0.00315768/step, 0.824857 hours remaining, 237.496094 MB of memory in use. ENERGY: 4059600 3980.8541 20607.7510 14427.6477 230.1720 -203580.2174 2741.4661 0.0000 0.0000 52012.2258 -109580.1007 298.9150 -161592.3266 -109221.9263 299.6510 -50.2427 -17.0415 760673.6865 3.6612 3.7634 PRESSURE: 4059800 -2.78667 -30.8195 113.792 -30.8196 238.555 12.6747 113.792 12.6756 282.378 GPRESSURE: 4059800 -13.1059 8.26332 179.472 -36.9339 268.686 39.3499 134.339 -68.0722 349.541 PRESSAVG: 4059800 29.5159 -39.6574 10.8235 -39.6574 24.9499 49.4565 10.8235 49.4564 15.952 GPRESSAVG: 4059800 29.3714 -37.4087 12.4527 -42.7998 25.2785 49.5334 13.6545 48.4101 15.7687 TIMING: 4059800 CPU: 12837.8, 0.00315323/step Wall: 12837.8, 0.00315323/step, 0.823519 hours remaining, 237.496094 MB of memory in use. ENERGY: 4059800 3980.8869 20477.3907 14380.5372 254.9102 -203561.9732 2781.2096 0.0000 0.0000 52303.5255 -109383.5132 300.5891 -161687.0387 -109019.5242 299.8802 172.7156 201.7072 760387.3891 23.4726 23.4729 PRESSURE: 4060000 -37.172 25.6122 -195.552 25.6116 6.31086 -52.7398 -195.553 -52.7397 396.269 GPRESSURE: 4060000 62.8219 -100.544 -136.29 -52.1741 28.7161 -102.289 -248.842 -22.6465 342.981 PRESSAVG: 4060000 1.75057 -16.1993 -0.849702 -16.1992 28.9559 -26.4697 -0.849727 -26.4697 1.21942 GPRESSAVG: 4060000 2.61355 -15.706 -1.76994 -16.7068 27.7862 -25.875 -0.796591 -28.2429 1.97973 TIMING: 4060000 CPU: 12838.4, 0.00316258/step Wall: 12838.4, 0.00316258/step, 0.825784 hours remaining, 237.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4060000 4035.8906 20560.4728 14364.7016 257.6729 -203542.4267 2754.2210 0.0000 0.0000 52190.2932 -109379.1746 299.9383 -161569.4678 -109018.0742 299.7338 121.8026 144.8396 760184.9122 10.6420 10.7931 PRESSURE: 4060200 291.052 -52.8943 123.392 -52.8949 170.01 85.4898 123.393 85.4909 -88.9283 GPRESSURE: 4060200 212.404 4.227 111.865 -64.1302 267.535 151.021 77.4185 140.191 -30.2624 PRESSAVG: 4060200 -49.1808 -87.4947 32.4489 -87.4947 34.6691 8.33947 32.4488 8.33943 44.0643 GPRESSAVG: 4060200 -50.2692 -89.6561 31.668 -86.5354 35.4711 8.77375 32.3505 7.66471 44.9327 TIMING: 4060200 CPU: 12839.1, 0.00315919/step Wall: 12839.1, 0.00315919/step, 0.824723 hours remaining, 237.496094 MB of memory in use. ENERGY: 4060200 3939.6276 20542.1664 14379.1340 267.7681 -203621.6222 2729.2154 0.0000 0.0000 52217.5233 -109546.1874 300.0948 -161763.7108 -109184.9306 299.8046 124.0444 149.8923 760095.8416 9.8509 10.0449 LDB: ============= START OF LOAD BALANCING ============== 12851.5 LDB: ============== END OF LOAD BALANCING =============== 12851.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12851.5 LDB: ============= START OF LOAD BALANCING ============== 12851.8 LDB: Largest compute 7068 load 0.035527 is 18.1% of average load 0.196114 LDB: Average compute 0.004379 is 2.2% of average load 0.196114 LDB: TIME 12851.8 LOAD: AVG 0.196114 MAX 0.215707 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.984 MB LDB: TIME 12851.8 LOAD: AVG 0.196114 MAX 0.215707 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.078 MB LDB: TIME 12851.8 LOAD: AVG 0.196114 MAX 0.215707 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.078 MB LDB: ============== END OF LOAD BALANCING =============== 12851.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12851.8 PRESSURE: 4060400 -137.243 -110.323 -219.121 -110.323 -166.708 -47.9638 -219.121 -47.9652 152.707 GPRESSURE: 4060400 -102.119 -123.319 -221.423 -176.19 -103.543 56.3034 -245.057 -88.6808 150.926 PRESSAVG: 4060400 -20.1579 -77.2085 47.8135 -77.2086 18.7348 9.54874 47.8135 9.54868 5.96091 GPRESSAVG: 4060400 -19.461 -74.8051 48.9296 -76.5025 18.6357 8.88784 47.4299 9.68946 5.01536 TIMING: 4060400 CPU: 12839.7, 0.00323558/step Wall: 12839.7, 0.00323558/step, 0.844486 hours remaining, 240.015625 MB of memory in use. ENERGY: 4060400 3909.3791 20474.7782 14362.1434 239.9906 -203191.6406 2706.2866 0.0000 0.0000 51910.3376 -109588.7252 298.3294 -161499.0627 -109229.5007 299.4516 -50.4146 -18.2452 762431.9789 1.5126 1.3967 PRESSURE: 4060600 31.4276 -21.3156 -126.005 -21.3156 15.6285 32.2579 -126.005 32.257 102.655 GPRESSURE: 4060600 33.3467 -47.1422 -130.499 -2.2531 -25.1064 42.0892 -96.3762 148.564 244.286 PRESSAVG: 4060600 -50.5698 -51.8482 -36.1584 -51.8482 15.4459 -7.52257 -36.1584 -7.52258 2.5774 GPRESSAVG: 4060600 -51.0424 -52.4252 -36.8093 -51.1404 15.3413 -6.69368 -37.1535 -7.66927 3.79584 TIMING: 4060600 CPU: 12840.4, 0.00315588/step Wall: 12840.4, 0.00315588/step, 0.823509 hours remaining, 240.218750 MB of memory in use. ENERGY: 4060600 4032.6210 20496.2198 14386.6842 259.6381 -203194.0887 2509.4577 0.0000 0.0000 51846.9326 -109662.5353 297.9650 -161509.4679 -109304.0549 298.6284 49.9038 84.1754 762137.2601 -10.8488 -10.6351 PRESSURE: 4060800 -1.58462 -188.05 149.993 -188.049 243.965 26.1531 149.992 26.1529 150.959 GPRESSURE: 4060800 103.431 -80.0049 70.1579 -232.783 252.905 88.7987 191.605 119.013 123.404 PRESSAVG: 4060800 -14.2435 -37.8216 -27.2829 -37.8217 19.528 15.0792 -27.2829 15.0792 6.57858 GPRESSAVG: 4060800 -13.9488 -35.6406 -25.7011 -40.1348 19.0777 15.0441 -25.9267 17.4353 6.8944 TIMING: 4060800 CPU: 12841, 0.00314474/step Wall: 12841, 0.00314474/step, 0.820428 hours remaining, 240.218750 MB of memory in use. ENERGY: 4060800 3964.0404 20588.7584 14338.6427 243.5276 -203422.9580 2641.4620 0.0000 0.0000 51781.9715 -109864.5552 297.5917 -161646.5267 -109507.4867 298.9082 131.1129 159.9134 762446.6568 3.9543 4.0078 PRESSURE: 4061000 251.388 17.7853 14.8028 17.7855 -78.7301 164.234 14.8036 164.235 -203.18 GPRESSURE: 4061000 205.277 66.9433 -33.6905 -30.6615 2.78762 128.33 -21.6384 107.582 -155.587 PRESSAVG: 4061000 -23.1102 2.14932 -19.6713 2.14942 14.3733 25.8772 -19.6714 25.8772 -17.2922 GPRESSAVG: 4061000 -23.7448 -1.04238 -20.9952 4.74827 14.8847 25.3728 -22.641 26.5894 -17.7222 TIMING: 4061000 CPU: 12841.6, 0.00317025/step Wall: 12841.6, 0.00317025/step, 0.826908 hours remaining, 240.218750 MB of memory in use. ENERGY: 4061000 3993.3778 20507.4838 14359.6519 274.0307 -203442.5988 2667.7637 0.0000 0.0000 51933.1316 -109707.1594 298.4604 -161640.2910 -109349.3793 298.9484 -10.1741 17.4926 761848.8949 -8.6764 -8.8608 PRESSURE: 4061200 -75.5946 -25.6459 104.186 -25.6451 128.079 -210.532 104.187 -210.532 301.652 GPRESSURE: 4061200 -85.5873 -87.6993 27.0784 -13.0873 196.113 -194.335 141.882 -176.874 331.089 PRESSAVG: 4061200 -51.8564 4.78064 -12.8314 4.78068 36.0434 2.00346 -12.8314 2.00349 23.2933 GPRESSAVG: 4061200 -52.059 5.239 -11.932 4.28064 37.066 2.07547 -11.7044 0.152199 22.4959 TIMING: 4061200 CPU: 12842.3, 0.0031444/step Wall: 12842.3, 0.0031444/step, 0.81999 hours remaining, 240.218750 MB of memory in use. ENERGY: 4061200 3941.5110 20669.9852 14354.2488 257.0223 -203427.9142 2484.1058 0.0000 0.0000 52152.3832 -109568.6579 299.7205 -161721.0411 -109198.3041 299.7912 118.0456 147.2049 762291.3356 2.4935 2.5009 PRESSURE: 4061400 175.16 150.195 96.2368 150.195 267.598 313.258 96.2372 313.258 -284.603 GPRESSURE: 4061400 273.687 62.5158 37.2233 45.755 231.558 233.773 99.3385 439.46 -274.45 PRESSAVG: 4061400 -48.2288 31.8033 -11.8988 31.8032 26.7579 -16.8253 -11.8988 -16.8253 -7.7916 GPRESSAVG: 4061400 -48.0905 31.9033 -12.8373 30.4091 26.5961 -18.1969 -11.4191 -17.2555 -7.36681 TIMING: 4061400 CPU: 12842.9, 0.00316356/step Wall: 12842.9, 0.00316356/step, 0.824811 hours remaining, 240.218750 MB of memory in use. ENERGY: 4061400 3986.0242 20648.1753 14351.3118 236.1743 -203659.0964 2748.7380 0.0000 0.0000 52017.6119 -109671.0608 298.9459 -161688.6727 -109308.5353 299.3847 52.7184 76.9315 762174.3822 -9.7542 -9.6204 PRESSURE: 4061600 122.98 -80.4287 95.4537 -80.4282 -39.434 -119.446 95.4539 -119.447 186.734 GPRESSURE: 4061600 114.185 -64.5838 86.9016 -7.00195 8.35131 -137.787 95.8618 -53.0568 256.15 PRESSAVG: 4061600 46.0679 -42.962 18.1107 -42.962 -22.9157 -48.6359 18.1107 -48.6359 8.37378 GPRESSAVG: 4061600 46.6765 -41.7391 16.9542 -43.0888 -23.1799 -47.0336 18.468 -48.2634 8.22278 TIMING: 4061600 CPU: 12843.5, 0.00315469/step Wall: 12843.5, 0.00315469/step, 0.822322 hours remaining, 240.218750 MB of memory in use. ENERGY: 4061600 3998.2822 20612.8382 14277.8390 246.4474 -203671.1767 2831.5809 0.0000 0.0000 51928.4218 -109775.7671 298.4334 -161704.1889 -109415.3538 299.2073 90.0934 126.2288 761300.6370 10.5087 10.5731 PRESSURE: 4061800 -128.73 -164.893 -258.676 -164.894 176.388 -80.3601 -258.675 -80.3609 -127.532 GPRESSURE: 4061800 -100.23 -161.994 -209.076 -16.2968 242.089 -96.0898 -315.351 -51.4266 -139.583 PRESSAVG: 4061800 -42.5436 -7.29373 -27.4271 -7.29377 -1.15143 -43.1361 -27.427 -43.1361 8.58452 GPRESSAVG: 4061800 -43.2164 -8.16473 -26.1001 -6.95507 -1.01111 -43.3389 -27.6065 -42.7758 8.7145 TIMING: 4061800 CPU: 12844.1, 0.00316156/step Wall: 12844.1, 0.00316156/step, 0.823939 hours remaining, 240.218750 MB of memory in use. ENERGY: 4061800 3953.9223 20392.1685 14380.9908 254.5620 -203591.9346 2470.3070 0.0000 0.0000 52294.7587 -109845.2252 300.5387 -162139.9839 -109478.9974 298.5748 -26.6245 0.7586 761811.5884 -11.7035 -11.8377 PRESSURE: 4062000 13.4884 0.744358 -106.412 0.744565 220.067 95.7742 -106.411 95.7745 405.279 GPRESSURE: 4062000 167.321 -66.9284 -86.6823 -33.8193 223.245 209.683 -52.2119 16.8342 336.894 PRESSAVG: 4062000 -47.3814 -21.3846 -9.89929 -21.3846 9.69217 -21.3191 -9.89928 -21.319 -25.3372 GPRESSAVG: 4062000 -46.8794 -18.4212 -9.59313 -22.5612 9.16292 -22.5877 -11.4445 -20.1364 -25.1431 TIMING: 4062000 CPU: 12844.8, 0.00316285/step Wall: 12844.8, 0.00316286/step, 0.8241 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4062000 3872.5826 20502.0129 14441.7840 256.0082 -203794.2540 2794.6685 0.0000 0.0000 51782.4423 -110144.7554 297.5944 -161927.1977 -109780.5510 298.1432 212.9448 242.4868 761658.5595 -21.0088 -20.9532 PRESSURE: 4062200 -400.03 6.46902 -13.3014 6.46871 -48.7979 -68.3813 -13.3018 -68.3806 125.068 GPRESSURE: 4062200 -284.097 28.6379 9.17735 111.96 -59.6126 -14.5156 -212.332 -173.192 111.974 PRESSAVG: 4062200 57.4543 -22.2371 12.3316 -22.2371 -17.6948 -44.6551 12.3317 -44.6551 16.7773 GPRESSAVG: 4062200 56.6199 -24.5639 10.9565 -21.4746 -17.7276 -43.4885 13.938 -46.6603 17.4277 TIMING: 4062200 CPU: 12845.4, 0.00314661/step Wall: 12845.4, 0.00314661/step, 0.819692 hours remaining, 240.218750 MB of memory in use. ENERGY: 4062200 4018.1212 20539.0278 14427.7012 247.2675 -203948.0535 2725.6361 0.0000 0.0000 52003.7711 -109986.5285 298.8664 -161990.2997 -109627.7682 298.4856 -107.9200 -77.2455 761803.7738 18.8456 18.7733 PRESSURE: 4062400 -87.4755 93.8162 241.586 93.8168 -289.203 29.3324 241.585 29.3323 -77.8461 GPRESSURE: 4062400 -114.376 128.854 253.993 112.588 -216.65 31.9503 169.773 152.242 -74.4899 PRESSAVG: 4062400 -19.9619 -33.3137 -22.5046 -33.3137 33.5478 -86.9305 -22.5046 -86.9305 -7.39703 GPRESSAVG: 4062400 -19.4729 -32.8495 -22.1114 -32.8465 33.445 -87.5518 -22.9762 -84.8098 -7.72276 TIMING: 4062400 CPU: 12846, 0.00316605/step Wall: 12846, 0.00316606/step, 0.824581 hours remaining, 240.218750 MB of memory in use. ENERGY: 4062400 4036.9344 20656.8229 14466.9290 237.0509 -203768.9377 2522.6407 0.0000 0.0000 52031.8905 -109816.6694 299.0280 -161848.5598 -109447.1977 298.5636 -151.5081 -135.1719 761062.7460 2.0629 2.0831 PRESSURE: 4062600 -264.35 -75.2187 226.616 -75.2182 105.23 72.9966 226.616 72.9969 130.209 GPRESSURE: 4062600 -166.454 -82.9206 100.942 -67.2852 138.418 131.762 86.4555 36.6531 80.976 PRESSAVG: 4062600 2.22817 -24.6265 14.6455 -24.6265 -26.1384 9.23031 14.6454 9.2303 4.96204 GPRESSAVG: 4062600 2.73021 -24.2361 15.625 -24.2737 -25.2351 10.793 14.198 6.81773 4.02983 TIMING: 4062600 CPU: 12846.7, 0.00316961/step Wall: 12846.7, 0.00316961/step, 0.825332 hours remaining, 240.218750 MB of memory in use. ENERGY: 4062600 4026.3415 20476.5720 14411.5287 246.9258 -204384.0466 2971.2657 0.0000 0.0000 52444.6455 -109806.7674 301.4001 -162251.4130 -109432.9071 299.3663 -9.6370 17.6467 761442.4867 -6.3161 -6.1583 PRESSURE: 4062800 -267.223 -64.8166 2.62198 -64.8166 -235.972 -114.238 2.62201 -114.237 -162.721 GPRESSURE: 4062800 -389.058 -22.0612 53.0762 -96.2704 -113.382 -67.1149 6.69416 -24.9699 -93.6803 PRESSAVG: 4062800 -3.45094 -99.2969 33.6626 -99.2969 2.95742 -2.35724 33.6626 -2.35731 -10.0171 GPRESSAVG: 4062800 -4.29696 -97.2335 31.8334 -99.8408 3.14096 -5.57356 32.7798 -0.947362 -9.35778 TIMING: 4062800 CPU: 12847.3, 0.00316023/step Wall: 12847.3, 0.00316023/step, 0.822713 hours remaining, 240.218750 MB of memory in use. ENERGY: 4062800 4001.7186 20548.1977 14339.8209 247.8514 -203981.1548 2788.9619 0.0000 0.0000 52238.4175 -109816.1868 300.2149 -162054.6042 -109457.8790 299.5948 -221.9721 -198.7068 762541.7334 -3.5035 -3.5046 PRESSURE: 4063000 -351.109 87.0414 181.686 87.0406 -366.196 -83.79 181.687 -83.7893 107.247 GPRESSURE: 4063000 -239.895 -32.9272 135.109 -10.2362 -299.213 -59.2319 -6.73201 -144.585 19.8364 PRESSAVG: 4063000 -44.8224 -12.2882 -28.5395 -12.2882 -3.16595 -32.7938 -28.5395 -32.7938 15.5425 GPRESSAVG: 4063000 -45.5977 -16.244 -26.8638 -11.2656 -3.24558 -29.4813 -26.2509 -33.8558 16.234 TIMING: 4063000 CPU: 12847.9, 0.00314962/step Wall: 12847.9, 0.00314962/step, 0.819776 hours remaining, 240.218750 MB of memory in use. ENERGY: 4063000 3986.8945 20795.1697 14399.5661 256.8831 -203627.4940 2450.4962 0.0000 0.0000 52055.3075 -109683.1768 299.1626 -161738.4844 -109330.8040 299.4301 -203.3530 -173.0906 763178.5193 -10.8153 -10.8698 PRESSURE: 4063200 -375.764 137.425 -196.524 137.426 -266.452 60.2067 -196.524 60.2055 -21.7657 GPRESSURE: 4063200 -244.512 106.238 -228.813 38.1544 -288.366 57.1174 -194.758 19.4584 -48.2743 PRESSAVG: 4063200 -18.3028 -14.2964 -27.0128 -14.2964 31.1458 2.16434 -27.0128 2.16422 5.53929 GPRESSAVG: 4063200 -17.2456 -13.9532 -26.9411 -16.0018 30.661 1.26985 -28.693 2.86419 5.22712 TIMING: 4063200 CPU: 12848.6, 0.0031811/step Wall: 12848.6, 0.0031811/step, 0.827794 hours remaining, 240.218750 MB of memory in use. ENERGY: 4063200 4063.3362 20532.6599 14375.1425 245.1889 -203591.6039 2688.3165 0.0000 0.0000 52242.3627 -109444.5972 300.2376 -161686.9599 -109072.1544 299.8225 -221.3271 -193.7173 761601.3541 6.1274 6.2142 PRESSURE: 4063400 -359.542 -28.8085 115.407 -28.8078 111.861 108.001 115.407 108.002 -612.207 GPRESSURE: 4063400 -307.614 2.071 142.87 -97.5297 123.343 71.994 360.462 79.8124 -573.699 PRESSAVG: 4063400 -2.41725 -70.518 15.48 -70.518 22.6934 23.1618 15.4801 23.1618 8.38796 GPRESSAVG: 4063400 -1.41428 -69.6662 15.7189 -69.6632 22.0111 23.4818 18.3226 22.1884 8.11103 TIMING: 4063400 CPU: 12849.2, 0.00316444/step Wall: 12849.2, 0.00316444/step, 0.823283 hours remaining, 240.218750 MB of memory in use. ENERGY: 4063400 4074.5137 20537.3794 14398.8884 252.6404 -203400.9534 2453.2293 0.0000 0.0000 52200.4335 -109483.8686 299.9966 -161684.3021 -109113.0254 299.6070 -286.6292 -252.6567 761702.6603 9.5547 9.5693 PRESSURE: 4063600 -170.559 -3.93615 -60.6661 -3.9356 70.7616 -185.786 -60.6663 -185.786 -462.806 GPRESSURE: 4063600 -83.6429 -50.5001 -77.5154 46.2393 23.4168 -157.311 -58.4881 -149.827 -394.085 PRESSAVG: 4063600 -1.17955 -17.4723 32.2786 -17.4723 -3.08151 31.0988 32.2785 31.0988 24.3313 GPRESSAVG: 4063600 -3.05566 -16.8833 31.6368 -17.1702 -2.44203 30.1069 29.2779 31.4102 25.3642 TIMING: 4063600 CPU: 12849.8, 0.00315671/step Wall: 12849.8, 0.00315671/step, 0.821095 hours remaining, 240.218750 MB of memory in use. ENERGY: 4063600 3995.8540 20606.0268 14370.4439 229.0836 -203600.0024 2657.9814 0.0000 0.0000 52314.4475 -109426.1651 300.6518 -161740.6126 -109064.9622 299.8844 -187.5345 -151.4371 763196.4214 6.6901 6.6222 PRESSURE: 4063800 -116.927 -128.984 -151.213 -128.985 -306.683 268.239 -151.213 268.239 83.997 GPRESSURE: 4063800 -34.6465 -131.159 -145.929 -120.598 -302.24 237.375 -104.24 203.702 83.0165 PRESSAVG: 4063800 -5.50198 -87.472 -32.7319 -87.472 -2.68894 21.4742 -32.7319 21.4742 -10.1141 GPRESSAVG: 4063800 -5.18229 -88.8585 -34.4167 -89.2622 -3.1411 21.892 -32.967 20.7053 -10.2069 TIMING: 4063800 CPU: 12850.5, 0.00319216/step Wall: 12850.5, 0.00319216/step, 0.83014 hours remaining, 240.218750 MB of memory in use. ENERGY: 4063800 4004.5115 20671.9308 14494.6754 235.1836 -203953.8775 2997.4936 0.0000 0.0000 52070.0135 -109480.0692 299.2471 -161550.0827 -109123.8434 299.2335 -113.2043 -84.6232 762672.9426 -6.1017 -6.1768 PRESSURE: 4064000 -525.074 86.2716 -205.939 86.2717 -280.138 58.2219 -205.939 58.2225 -275.075 GPRESSURE: 4064000 -466.286 68.1 -209.554 71.7576 -221.562 78.4592 -295.555 -53.1959 -310.459 PRESSAVG: 4064000 -0.964602 -81.5686 -33.6037 -81.5686 36.845 -95.3673 -33.6038 -95.3673 27.4736 GPRESSAVG: 4064000 -0.0873736 -81.776 -31.0459 -81.3506 36.289 -94.6966 -33.1028 -95.1955 26.9102 TIMING: 4064000 CPU: 12851.1, 0.00318195/step Wall: 12851.1, 0.00318196/step, 0.827308 hours remaining, 240.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4064000 4056.5578 20545.9933 14413.6055 237.1117 -203300.2244 2536.2474 0.0000 0.0000 52086.7675 -109423.9413 299.3434 -161510.7088 -109059.7622 300.3409 -360.0953 -332.7687 761796.8559 21.1180 21.0373 PRESSURE: 4064200 -11.1 -161.72 89.2318 -161.721 -368.664 30.4429 89.2318 30.4424 -201.551 GPRESSURE: 4064200 -137.636 -142.867 96.8881 -155.71 -287.98 63.6888 75.2171 55.8885 -46.9815 PRESSAVG: 4064200 -49.7222 -26.2171 -21.2576 -26.2171 31.3696 5.9869 -21.2576 5.98686 -0.151585 GPRESSAVG: 4064200 -49.8938 -23.0417 -21.9665 -26.7906 31.9068 6.37572 -21.4547 6.07138 -0.907561 TIMING: 4064200 CPU: 12851.7, 0.00315574/step Wall: 12851.7, 0.00315574/step, 0.820317 hours remaining, 240.218750 MB of memory in use. ENERGY: 4064200 3907.1043 20509.4441 14413.7992 224.3921 -202997.1703 2341.0762 0.0000 0.0000 52179.1558 -109422.1985 299.8743 -161601.3544 -109056.4893 299.6910 -193.7715 -157.5325 760208.4406 -6.1681 -6.2982 LDB: ============= START OF LOAD BALANCING ============== 12864.1 LDB: ============== END OF LOAD BALANCING =============== 12864.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12864.1 LDB: ============= START OF LOAD BALANCING ============== 12864.5 LDB: Largest compute 7068 load 0.035144 is 17.9% of average load 0.196049 LDB: Average compute 0.004384 is 2.2% of average load 0.196049 LDB: TIME 12864.5 LOAD: AVG 0.196049 MAX 0.21425 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 12864.5 LOAD: AVG 0.196049 MAX 0.21425 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 12864.5 LOAD: AVG 0.196049 MAX 0.21425 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 12864.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12864.5 PRESSURE: 4064400 214.62 48.7032 -168.141 48.7039 -9.45086 136.69 -168.143 136.692 -11.3724 GPRESSURE: 4064400 180.202 -6.06535 -151.031 66.2878 53.6583 43.0425 48.9014 121.705 32.6819 PRESSAVG: 4064400 -12.9539 -21.4088 -55.8541 -21.4087 28.9988 -47.4215 -55.8541 -47.4215 44.667 GPRESSAVG: 4064400 -12.1603 -22.6886 -55.796 -18.3288 27.4819 -46.9276 -54.4921 -46.0696 45.4526 TIMING: 4064400 CPU: 12852.4, 0.00322774/step Wall: 12852.4, 0.00322774/step, 0.838853 hours remaining, 238.613281 MB of memory in use. ENERGY: 4064400 4058.2398 20364.0612 14409.5747 245.1582 -203730.1284 2919.6908 0.0000 0.0000 52099.6656 -109633.7382 299.4175 -161733.4038 -109262.4478 299.7097 64.5991 88.8475 760456.1098 20.2373 20.2581 PRESSURE: 4064600 62.0313 -116.378 357.722 -116.378 -80.5444 223.391 357.723 223.392 -205.3 GPRESSURE: 4064600 103.601 -177.909 271.502 -51.7818 -65.5528 274.178 239.991 195.774 -187.677 PRESSAVG: 4064600 -19.4798 -35.4345 13.9106 -35.4344 -3.15628 12.9857 13.9106 12.9857 -18.9194 GPRESSAVG: 4064600 -19.9019 -36.7621 13.892 -37.005 -2.4517 12.7568 11.9627 11.2207 -19.1191 TIMING: 4064600 CPU: 12853, 0.00316264/step Wall: 12853, 0.00316264/step, 0.821758 hours remaining, 238.816406 MB of memory in use. ENERGY: 4064600 3929.0357 20558.6872 14314.0641 246.1121 -203285.5713 2580.4968 0.0000 0.0000 52016.7476 -109640.4279 298.9410 -161657.1755 -109275.6057 299.2237 -74.6045 -49.8763 761182.8399 -13.8518 -13.8242 PRESSURE: 4064800 276.694 -54.7412 43.8938 -54.7411 246.828 48.1506 43.8938 48.1514 -27.3505 GPRESSURE: 4064800 378.877 98.2641 115.67 -79.0004 199.994 30.7072 12.2544 70.2841 17.6146 PRESSAVG: 4064800 -17.622 -21.3555 8.18835 -21.3555 39.5946 11.0921 8.18842 11.0921 -7.84362 GPRESSAVG: 4064800 -17.0694 -20.5273 10.2094 -21.2282 40.2579 10.5023 9.07197 10.7184 -9.05564 TIMING: 4064800 CPU: 12853.7, 0.00315887/step Wall: 12853.7, 0.00315887/step, 0.820605 hours remaining, 238.816406 MB of memory in use. ENERGY: 4064800 3981.7489 20590.7464 14346.7877 247.4925 -203939.5843 2830.4656 0.0000 0.0000 52354.5949 -109587.7483 300.8826 -161942.3432 -109230.9217 299.6617 165.3905 198.8287 760946.0249 4.7097 4.7110 PRESSURE: 4065000 -14.7242 132.849 -13.7031 132.849 95.2548 -89.6837 -13.7033 -89.6836 -222.244 GPRESSURE: 4065000 38.0444 7.67346 59.3776 47.02 26.7439 -132.176 -117.838 49.9474 -142.237 PRESSAVG: 4065000 3.91941 55.6312 16.1905 55.6312 20.6586 -40.6441 16.1906 -40.6442 25.319 GPRESSAVG: 4065000 3.4075 53.3365 16.5338 55.7755 19.7257 -40.9371 15.7096 -40.2158 26.816 TIMING: 4065000 CPU: 12854.3, 0.00313999/step Wall: 12854.3, 0.00313999/step, 0.815526 hours remaining, 238.816406 MB of memory in use. ENERGY: 4065000 4033.3889 20725.6577 14369.3897 256.3495 -204206.9600 2930.9309 0.0000 0.0000 52165.9171 -109725.3262 299.7982 -161891.2434 -109375.7826 299.3836 -47.2376 -25.8163 759173.8768 16.6324 16.6497 PRESSURE: 4065200 195.151 152.183 170.475 152.182 157.62 46.4843 170.474 46.4847 580.45 GPRESSURE: 4065200 255.717 209.232 75.0942 150.931 184.901 106.061 180.177 59.3819 554.781 PRESSAVG: 4065200 -12.9021 22.9646 2.15309 22.9646 4.23134 -66.9037 2.15313 -66.9037 -3.27811 GPRESSAVG: 4065200 -13.5038 25.1282 0.629087 22.793 4.66966 -66.3673 3.08144 -65.0216 -3.2936 TIMING: 4065200 CPU: 12854.9, 0.00315571/step Wall: 12854.9, 0.00315571/step, 0.819433 hours remaining, 238.816406 MB of memory in use. ENERGY: 4065200 3939.1879 20478.3317 14374.7237 264.0701 -203502.2311 2668.3847 0.0000 0.0000 52232.4007 -109545.1323 300.1803 -161777.5330 -109177.0895 299.2371 311.0740 331.7997 759826.1233 -3.9830 -4.0426 PRESSURE: 4065400 398.781 -161.027 4.87042 -161.027 453.134 -26.8196 4.87125 -26.8189 62.1554 GPRESSURE: 4065400 417.805 -225.783 62.724 -267.671 496.405 -82.6138 32.1444 95.0198 81.2476 PRESSAVG: 4065400 -4.56001 -9.46558 -12.6724 -9.46555 3.41797 -53.1723 -12.6723 -53.1723 5.47019 GPRESSAVG: 4065400 -4.13813 -9.19933 -12.5368 -8.85704 3.06931 -54.2167 -13.6385 -52.709 5.63475 TIMING: 4065400 CPU: 12855.5, 0.00315511/step Wall: 12855.5, 0.00315511/step, 0.819102 hours remaining, 238.816406 MB of memory in use. ENERGY: 4065400 3937.1057 20529.8530 14385.3346 261.2050 -203701.7089 2964.6230 0.0000 0.0000 51811.2269 -109812.3606 297.7598 -161623.5876 -109445.6885 299.4178 304.6901 331.8193 760414.9823 1.4427 1.5220 PRESSURE: 4065600 -26.0468 121.632 -89.7117 121.632 275.116 109.214 -89.7114 109.214 -349.731 GPRESSURE: 4065600 -74.8671 102.696 -152.698 53.7303 316.815 113.988 -140.79 75.9117 -258.59 PRESSAVG: 4065600 -56.7962 -32.2703 33.6269 -32.2703 46.7848 -3.06245 33.6269 -3.06253 10.0807 GPRESSAVG: 4065600 -56.4033 -32.649 32.1305 -32.5555 46.1904 -2.9906 33.7016 -2.27034 9.84984 TIMING: 4065600 CPU: 12856.2, 0.00315793/step Wall: 12856.2, 0.00315793/step, 0.819657 hours remaining, 238.816406 MB of memory in use. ENERGY: 4065600 4012.9648 20473.0578 14369.6491 234.3961 -203437.0097 2594.1940 0.0000 0.0000 52160.7186 -109592.0293 299.7684 -161752.7480 -109229.8046 298.9460 -33.5540 -5.5473 763123.3819 0.0231 -0.1210 PRESSURE: 4065800 154.252 56.7513 66.7428 56.7507 -72.4531 119.406 66.7423 119.405 -14.0141 GPRESSURE: 4065800 246.258 -14.817 50.5417 55.9504 -61.1961 136.751 7.16739 90.7218 -13.3947 PRESSAVG: 4065800 -26.3265 8.24682 -51.365 8.24682 3.86593 -23.2295 -51.3651 -23.2295 0.216887 GPRESSAVG: 4065800 -27.5492 6.63005 -50.0039 9.26378 5.21265 -24.3258 -51.56 -25.1527 0.0178231 TIMING: 4065800 CPU: 12856.8, 0.00317065/step Wall: 12856.8, 0.00317065/step, 0.822785 hours remaining, 238.816406 MB of memory in use. ENERGY: 4065800 3959.4695 20480.1809 14395.2344 233.8570 -203196.1730 2435.6094 0.0000 0.0000 52125.3819 -109566.4398 299.5653 -161691.8218 -109201.0914 299.6116 22.5950 57.2225 762156.4289 -7.4146 -7.4396 PRESSURE: 4066000 -186.494 -155.889 8.15445 -155.889 331.914 -174.435 8.15414 -174.434 213.027 GPRESSURE: 4066000 -154.013 -115.774 -23.148 -121.513 274.84 -145.291 -94.2694 -114.744 312.577 PRESSAVG: 4066000 29.0519 0.209336 -27.2533 0.209312 -22.154 -4.23808 -27.2533 -4.23804 -7.39624 GPRESSAVG: 4066000 28.9337 1.43549 -28.2903 -1.12248 -22.0633 -2.04737 -25.715 -5.11523 -8.2909 TIMING: 4066000 CPU: 12857.4, 0.00315909/step Wall: 12857.4, 0.00315909/step, 0.819609 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4066000 3960.0916 20391.7065 14405.6135 258.0989 -202839.3063 2200.2392 0.0000 0.0000 51920.4085 -109703.1481 298.3873 -161623.5566 -109338.3227 299.5830 119.4826 144.4681 761496.4807 -0.1661 -0.4735 PRESSURE: 4066200 24.1347 -14.2687 -96.1879 -14.268 172.057 -53.6767 -96.1877 -53.6771 -233.726 GPRESSURE: 4066200 179.481 -6.5337 -150.648 -80.2577 88.4419 -53.3453 -79.3906 -100.286 -220.589 PRESSAVG: 4066200 40.6143 -7.97973 -6.39634 -7.97984 -33.4179 -17.0976 -6.39636 -17.0976 -12.9976 GPRESSAVG: 4066200 41.5841 -6.86127 -6.35543 -7.04361 -34.0007 -19.1008 -7.18394 -16.1603 -12.6176 TIMING: 4066200 CPU: 12858.1, 0.00315399/step Wall: 12858.1, 0.00315399/step, 0.81811 hours remaining, 238.816406 MB of memory in use. ENERGY: 4066200 3920.0004 20383.0798 14358.4738 254.0073 -203117.8413 2424.6643 0.0000 0.0000 52136.2291 -109641.3867 299.6276 -161777.6157 -109275.9213 298.9668 -12.5115 15.7780 761178.8648 -1.9337 -1.6781 PRESSURE: 4066400 -185.273 -195.821 -171.892 -195.822 2.54241 1.35888 -171.893 1.35858 -38.1341 GPRESSURE: 4066400 -157.023 -180.854 -285.162 -165.679 14.2935 160.142 -93.3955 -115.861 8.76887 PRESSAVG: 4066400 -0.0902445 -61.13 17.1527 -61.13 8.57586 -0.628394 17.1526 -0.628405 11.108 GPRESSAVG: 4066400 -0.427487 -62.0335 18.0049 -59.4039 8.65287 1.94252 17.5755 -1.27007 11.2511 TIMING: 4066400 CPU: 12858.7, 0.00315795/step Wall: 12858.7, 0.00315795/step, 0.818961 hours remaining, 238.816406 MB of memory in use. ENERGY: 4066400 4021.5489 20439.4638 14308.5121 235.7595 -203126.3478 2449.5287 0.0000 0.0000 51841.4098 -109830.1250 297.9333 -161671.5347 -109475.3671 299.0060 -73.6215 -44.6536 762230.7938 6.5312 6.4922 PRESSURE: 4066600 -60.2356 38.3436 105.85 38.3428 -374.225 -66.5293 105.849 -66.5299 70.4186 GPRESSURE: 4066600 -107.591 67.005 9.1249 -34.7696 -331.39 21.8906 51.962 -175.459 183.997 PRESSAVG: 4066600 -16.1167 26.4069 -46.6483 26.407 -38.3122 25.5331 -46.6483 25.5331 24.7755 GPRESSAVG: 4066600 -16.2608 27.9375 -46.7788 22.1022 -37.7074 25.9083 -46.0419 23.2452 24.6808 TIMING: 4066600 CPU: 12859.3, 0.00316032/step Wall: 12859.3, 0.00316033/step, 0.819402 hours remaining, 238.816406 MB of memory in use. ENERGY: 4066600 4011.4618 20246.6463 14363.6035 245.1432 -203526.5500 2765.0363 0.0000 0.0000 52054.0959 -109840.5631 299.1556 -161894.6590 -109482.6519 298.7245 -121.3474 -84.9947 762433.9380 -9.8845 -9.7624 PRESSURE: 4066800 -304.534 106.158 -121.151 106.158 209.142 53.3764 -121.151 53.3772 -334.256 GPRESSURE: 4066800 -272.675 144.119 -111.791 75.9695 201.786 120.311 -141.181 -5.54052 -286.392 PRESSAVG: 4066800 -0.970636 5.6757 3.03666 5.67565 51.3283 -5.35147 3.03663 -5.3514 3.54889 GPRESSAVG: 4066800 -1.39838 6.07174 4.1905 8.16259 51.9414 -5.60502 3.73209 -2.64877 3.02926 TIMING: 4066800 CPU: 12860, 0.00316634/step Wall: 12860, 0.00316634/step, 0.820785 hours remaining, 238.816406 MB of memory in use. ENERGY: 4066800 3936.3467 20341.7873 14344.3387 249.5429 -203066.3808 2390.4381 0.0000 0.0000 51886.5238 -109917.4034 298.1926 -161803.9272 -109550.8925 298.2438 -143.2160 -119.0937 762068.1793 17.9688 17.8574 PRESSURE: 4067000 157.774 246.404 -237.321 246.404 153.93 119.051 -237.321 119.052 -392.125 GPRESSURE: 4067000 208.01 197.054 -253.665 210.804 82.4205 99.653 -28.7586 146.353 -308.446 PRESSAVG: 4067000 -21.5192 24.0927 -20.4511 24.0927 43.116 2.83109 -20.4511 2.8312 19.1614 GPRESSAVG: 4067000 -20.1273 23.927 -23.3781 22.6511 42.1567 0.373993 -19.6989 3.2241 18.7474 TIMING: 4067000 CPU: 12860.6, 0.00318208/step Wall: 12860.6, 0.00318208/step, 0.824689 hours remaining, 238.816406 MB of memory in use. ENERGY: 4067000 4004.4619 20650.4360 14358.2788 247.1874 -203728.0060 2611.0705 0.0000 0.0000 52028.5501 -109828.0214 299.0088 -161856.5714 -109473.8381 298.6103 -26.8069 -6.0054 761599.5369 13.5861 13.5923 PRESSURE: 4067200 -195.181 0.289537 9.43595 0.288672 -529.926 100.164 9.43637 100.165 -445.234 GPRESSURE: 4067200 -236.321 5.72836 -35.6405 13.956 -427.881 68.3796 -51.3844 148.299 -406.622 PRESSAVG: 4067200 27.1014 2.0635 -29.0134 2.06344 -3.48958 31.8101 -29.0134 31.8101 -4.15643 GPRESSAVG: 4067200 25.9492 -0.182747 -27.3525 4.67352 -2.92467 32.9759 -29.5936 29.2494 -3.34062 TIMING: 4067200 CPU: 12861.2, 0.00316962/step Wall: 12861.2, 0.00316962/step, 0.821285 hours remaining, 238.816406 MB of memory in use. ENERGY: 4067200 3996.0272 20418.1741 14350.2792 261.2046 -203216.5576 2406.9250 0.0000 0.0000 51852.1093 -109931.8383 297.9948 -161783.9476 -109566.0974 298.7951 -390.1135 -356.9416 763228.5396 6.4851 6.5613 PRESSURE: 4067400 56.1872 -49.0684 102.622 -49.0687 -140.96 -213.669 102.622 -213.669 -72.9421 GPRESSURE: 4067400 52.0325 -26.6451 68.1843 -127.814 -39.1281 -266.161 139.698 4.96442 -92.1833 PRESSAVG: 4067400 36.4572 -68.357 29.8121 -68.357 -43.2845 -24.4589 29.8121 -24.4589 7.75275 GPRESSAVG: 4067400 38.3615 -65.4277 29.8372 -70.1744 -44.2048 -23.6798 28.0647 -21.4051 7.29675 TIMING: 4067400 CPU: 12861.9, 0.00315918/step Wall: 12861.9, 0.00315918/step, 0.818404 hours remaining, 238.816406 MB of memory in use. ENERGY: 4067400 3985.2656 20533.7699 14459.8799 240.2597 -203282.3100 2325.2286 0.0000 0.0000 51939.2296 -109798.6769 298.4955 -161737.9064 -109446.9306 298.8536 -52.5718 -26.4263 760431.8507 0.3085 0.4845 PRESSURE: 4067600 303.069 -122.176 -130.971 -122.175 139.339 -40.6415 -130.971 -40.6415 -8.16401 GPRESSURE: 4067600 240.66 -175.597 -171.375 -154.026 304.753 -2.06562 -19.0981 -175.081 -49.6988 PRESSAVG: 4067600 -28.5819 -41.2386 17.456 -41.2386 11.6179 -3.31501 17.456 -3.31499 10.3559 GPRESSAVG: 4067600 -30.6585 -42.4379 18.1551 -40.3716 12.7684 -3.90325 17.3795 -3.31373 11.0389 TIMING: 4067600 CPU: 12862.5, 0.00317284/step Wall: 12862.5, 0.00317284/step, 0.821766 hours remaining, 238.816406 MB of memory in use. ENERGY: 4067600 4053.1667 20590.1718 14360.3632 233.6352 -204086.5945 2913.5411 0.0000 0.0000 52093.2472 -109842.4693 299.3806 -161935.7165 -109484.1888 298.7332 144.7481 165.2379 760347.7665 -2.2027 -2.2837 PRESSURE: 4067800 -118.09 -27.4494 273.113 -27.4496 -188.017 -119.371 273.114 -119.372 205.619 GPRESSURE: 4067800 -39.3555 123.406 170.428 -13.5645 -204.414 -48.973 328.475 9.28489 227.84 PRESSAVG: 4067800 33.0814 15.5122 14.6494 15.5122 -48.1505 8.52158 14.6495 8.52156 -38.0778 GPRESSAVG: 4067800 34.5214 16.9168 12.0525 14.8687 -48.9799 8.99245 16.7449 7.32387 -38.1195 TIMING: 4067800 CPU: 12863.1, 0.00317266/step Wall: 12863.1, 0.00317266/step, 0.821544 hours remaining, 238.816406 MB of memory in use. ENERGY: 4067800 3997.2471 20583.4131 14359.5850 239.6771 -203650.5435 2593.1346 0.0000 0.0000 52259.8448 -109617.6418 300.3380 -161877.4866 -109261.3216 299.0638 -33.4956 -5.3096 762835.5256 -17.7156 -17.5260 PRESSURE: 4068000 -50.7314 -194.304 -73.4449 -194.302 201.349 117.926 -73.4449 117.925 172.346 GPRESSURE: 4068000 -75.5052 -131.018 -26.7928 -253.659 244.963 79.4238 -13.3969 111.34 223.647 PRESSAVG: 4068000 5.25417 11.5582 21.5299 11.5582 21.9008 25.3207 21.5298 25.3207 17.6979 GPRESSAVG: 4068000 3.30216 8.99331 22.435 10.9881 22.5239 24.2807 19.9792 24.1294 18.8515 TIMING: 4068000 CPU: 12863.8, 0.00316634/step Wall: 12863.8, 0.00316634/step, 0.81973 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4068000 3969.5416 20652.9005 14368.6395 257.8328 -203543.0497 2687.2286 0.0000 0.0000 51961.8054 -109645.1012 298.6252 -161606.9066 -109290.0748 299.5055 107.6544 131.0349 762107.0633 14.9510 14.8925 PRESSURE: 4068200 -100.854 43.1532 -39.5558 43.1524 162.528 104.565 -39.5547 104.564 9.09934 GPRESSURE: 4068200 -38.6571 58.9809 -46.6095 50.6713 213.45 88.3777 -146.421 50.2672 -12.8095 PRESSAVG: 4068200 29.9598 -17.8949 1.00103 -17.8948 -11.8789 4.18569 1.00104 4.18572 -5.8631 GPRESSAVG: 4068200 32.7178 -15.297 1.23932 -17.8215 -13.0852 4.68428 0.692668 3.92251 -7.67495 TIMING: 4068200 CPU: 12864.4, 0.00315977/step Wall: 12864.4, 0.00315977/step, 0.817855 hours remaining, 238.816406 MB of memory in use. ENERGY: 4068200 3954.6757 20364.6996 14359.4461 242.0448 -203461.2960 2595.4493 0.0000 0.0000 52342.8320 -109602.1485 300.8150 -161944.9804 -109231.0012 299.9106 23.5912 53.9946 761258.4220 4.0726 3.9859 LDB: ============= START OF LOAD BALANCING ============== 12876.8 LDB: ============== END OF LOAD BALANCING =============== 12876.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12876.8 LDB: ============= START OF LOAD BALANCING ============== 12877.1 LDB: Largest compute 7068 load 0.035946 is 18.3% of average load 0.196077 LDB: Average compute 0.004387 is 2.2% of average load 0.196077 LDB: TIME 12877.1 LOAD: AVG 0.196077 MAX 0.218137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 12877.1 LOAD: AVG 0.196077 MAX 0.218137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 12877.1 LOAD: AVG 0.196077 MAX 0.218137 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 12877.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12877.1 PRESSURE: 4068400 -182.805 -12.9401 -2.82002 -12.9392 -57.4814 -12.3036 -2.81972 -12.303 -12.9438 GPRESSURE: 4068400 -154.119 25.4466 49.1175 -44.0178 -28.9157 -12.1106 7.98715 135.979 26.8131 PRESSAVG: 4068400 -54.9466 16.0362 -40.8035 16.0361 65.958 1.80948 -40.8036 1.80956 -11.4638 GPRESSAVG: 4068400 -54.85 15.0931 -39.754 16.9052 64.8796 2.54836 -39.7132 3.16331 -10.5201 TIMING: 4068400 CPU: 12865.1, 0.00323111/step Wall: 12865.1, 0.00323111/step, 0.836139 hours remaining, 238.355469 MB of memory in use. ENERGY: 4068400 4028.5376 20474.3594 14362.4312 233.0893 -203253.2018 2305.3973 0.0000 0.0000 52331.7311 -109517.6558 300.7512 -161849.3869 -109143.1879 299.6774 -84.4102 -52.0740 761190.4828 -0.1508 -0.1635 PRESSURE: 4068600 301.969 55.3156 58.9678 55.316 -231.362 130.203 58.9686 130.204 -344.278 GPRESSURE: 4068600 220.271 9.28137 149.591 257.654 -105.229 90.6916 45.9714 122.153 -320.401 PRESSAVG: 4068600 12.668 57.1831 -35.5118 57.1831 -24.7844 8.72269 -35.5118 8.72268 2.25906 GPRESSAVG: 4068600 11.3895 56.9648 -36.1904 59.1332 -22.6806 8.42502 -35.5945 9.24023 1.00362 TIMING: 4068600 CPU: 12865.7, 0.00315246/step Wall: 12865.7, 0.00315246/step, 0.815612 hours remaining, 238.355469 MB of memory in use. ENERGY: 4068600 4033.9800 20433.6041 14411.4138 252.6599 -203284.0212 2518.8445 0.0000 0.0000 52288.8210 -109344.6979 300.5046 -161633.5189 -108973.7330 299.9595 -91.2236 -68.4531 761254.5370 -3.2858 -3.4291 PRESSURE: 4068800 -33.6936 113.337 70.8922 113.339 -75.0002 117.787 70.8923 117.788 -62.4676 GPRESSURE: 4068800 177.31 87.5172 117.795 114.584 -156.182 152.023 74.9094 185.012 -100.347 PRESSAVG: 4068800 16.7551 39.128 8.42005 39.1279 -0.15991 -15.7368 8.42011 -15.7368 27.5243 GPRESSAVG: 4068800 17.7596 38.3507 7.78223 37.7317 -1.9295 -16.497 5.99948 -15.4547 28.083 TIMING: 4068800 CPU: 12866.3, 0.00314327/step Wall: 12866.3, 0.00314327/step, 0.81306 hours remaining, 238.355469 MB of memory in use. ENERGY: 4068800 4020.5949 20649.1915 14416.2459 254.1871 -203088.4181 2525.9346 0.0000 0.0000 51927.3948 -109294.8693 298.4275 -161222.2641 -108940.7283 300.0475 -57.0538 -26.4063 759987.4223 14.7065 14.6377 PRESSURE: 4069000 -117.364 -21.5303 59.7255 -21.5307 192.348 132.771 59.7252 132.772 208.559 GPRESSURE: 4069000 -94.8131 -32.1472 93.6847 99.2082 291.846 227.124 -59.8838 -7.16337 168.863 PRESSAVG: 4069000 51.6476 47.6024 8.57601 47.6023 -42.3303 -27.9458 8.57599 -27.9459 12.2524 GPRESSAVG: 4069000 50.7952 47.4411 9.96688 47.982 -41.1055 -28.6176 10.6304 -30.1899 11.635 TIMING: 4069000 CPU: 12866.9, 0.00314267/step Wall: 12866.9, 0.00314266/step, 0.812728 hours remaining, 238.355469 MB of memory in use. ENERGY: 4069000 4014.0344 20683.1542 14403.6735 238.3407 -203317.3315 2604.0578 0.0000 0.0000 52035.4661 -109338.6048 299.0485 -161374.0709 -108976.7054 299.8913 94.5143 121.9651 762456.2056 7.1899 7.1082 PRESSURE: 4069200 187.604 -31.6073 -209.122 -31.6073 142.535 29.7087 -209.122 29.7098 82.8312 GPRESSURE: 4069200 194.65 -25.45 -221.406 -0.742457 221.592 -8.37856 -231.185 97.4125 85.9337 PRESSAVG: 4069200 36.291 -13.5406 -34.6703 -13.5406 -3.77383 -17.6789 -34.6703 -17.6789 -0.455151 GPRESSAVG: 4069200 36.8028 -14.5091 -35.4896 -12.43 -2.96644 -16.8797 -35.8037 -16.8088 -1.92722 TIMING: 4069200 CPU: 12867.6, 0.00316696/step Wall: 12867.6, 0.00316696/step, 0.818834 hours remaining, 238.355469 MB of memory in use. ENERGY: 4069200 4045.0157 20613.9373 14429.8338 240.2387 -203466.9488 2626.0353 0.0000 0.0000 52252.6823 -109259.2056 300.2969 -161511.8878 -108897.9909 300.1811 137.6569 167.3919 761488.8787 10.6873 10.6364 PRESSURE: 4069400 140.243 -11.0183 -93.8508 -11.0178 -41.1962 -23.9831 -93.8514 -23.9842 222.798 GPRESSURE: 4069400 241.391 35.6362 -149.399 0.341952 12.0178 -117.671 -105.86 171.861 177.076 PRESSAVG: 4069400 15.8593 41.8794 -6.15705 41.8794 -7.37852 61.8844 -6.15698 61.8845 -19.8669 GPRESSAVG: 4069400 15.1031 44.0117 -5.9021 40.6213 -8.27954 62.4769 -6.36595 62.9255 -18.1201 TIMING: 4069400 CPU: 12868.2, 0.00317618/step Wall: 12868.2, 0.00317618/step, 0.821042 hours remaining, 238.355469 MB of memory in use. ENERGY: 4069400 4089.6460 20485.6642 14368.6701 249.2626 -203713.6489 2782.5424 0.0000 0.0000 52353.1774 -109384.6863 300.8744 -161737.8637 -109014.8060 300.4185 107.2818 143.4951 761270.6470 -3.7954 -3.7655 PRESSURE: 4069600 -77.443 84.9103 11.9576 84.9104 231.58 46.0424 11.9567 46.0424 -260.597 GPRESSURE: 4069600 13.5848 80.1802 -56.2073 -14.8905 126.609 74.4395 10.5573 11.3955 -178.229 PRESSAVG: 4069600 3.69027 28.717 -49.3845 28.717 -24.7196 -10.1562 -49.3845 -10.1563 16.9283 GPRESSAVG: 4069600 4.75257 27.4115 -49.6811 28.6144 -26.5416 -8.52606 -48.2461 -9.80533 17.5014 TIMING: 4069600 CPU: 12868.8, 0.0031734/step Wall: 12868.8, 0.0031734/step, 0.820149 hours remaining, 238.355469 MB of memory in use. ENERGY: 4069600 4018.5702 20567.3310 14490.3756 255.7429 -203613.0720 2583.2664 0.0000 0.0000 52023.5888 -109674.1970 298.9803 -161697.7859 -109310.7065 299.3156 -35.4867 -12.6786 761067.1995 -1.3670 -1.4292 PRESSURE: 4069800 -44.7544 -197.879 -39.8111 -197.88 271.925 -17.1652 -39.8113 -17.1646 378.145 GPRESSURE: 4069800 122.303 -112.756 44.7242 -285.394 222.968 -105.683 -23.0583 -16.298 321.763 PRESSAVG: 4069800 -9.42011 32.5417 -11.0663 32.5417 -39.2288 28.5209 -11.0664 28.5209 8.08689 GPRESSAVG: 4069800 -9.59769 32.6112 -11.2765 33.4777 -37.9376 26.8625 -11.7133 28.1224 7.20604 TIMING: 4069800 CPU: 12869.5, 0.00318268/step Wall: 12869.5, 0.00318268/step, 0.822369 hours remaining, 238.355469 MB of memory in use. ENERGY: 4069800 3980.0179 20696.5929 14389.7834 257.0940 -203229.6526 2416.6063 0.0000 0.0000 51943.2524 -109546.3056 298.5186 -161489.5580 -109189.1181 299.0922 201.7716 222.3447 762693.2309 -13.5207 -13.4431 PRESSURE: 4070000 -76.3581 84.2266 -353.336 84.2264 79.4352 51.0455 -353.336 51.0455 429.301 GPRESSURE: 4070000 -82.9761 57.3884 -351.244 8.00976 173.562 57.6375 -185.043 248.759 438.891 PRESSAVG: 4070000 -17.4284 13.9816 -35.3722 13.9816 12.6018 -33.2326 -35.3722 -33.2327 11.649 GPRESSAVG: 4070000 -18.0432 13.6046 -37.0827 12.8765 13.8436 -33.3423 -33.5103 -31.6052 11.9147 TIMING: 4070000 CPU: 12870.1, 0.00318827/step Wall: 12870.1, 0.00318827/step, 0.823636 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4070000 3985.2718 20640.0386 14375.9488 254.4112 -203532.1953 2866.1300 0.0000 0.0000 51930.4145 -109479.9804 298.4448 -161410.3950 -109124.8353 298.9546 144.1260 176.4922 761873.4936 2.2741 2.5717 PRESSURE: 4070200 -358.619 29.9147 -258.172 29.9159 37.7167 93.0304 -258.172 93.0307 8.14012 GPRESSURE: 4070200 -266.261 32.9217 -234.122 99.687 22.1969 41.2116 -262.878 247.983 28.078 PRESSAVG: 4070200 -46.0936 12.8249 -67.5705 12.8249 81.5722 -4.47178 -67.5705 -4.47173 0.133583 GPRESSAVG: 4070200 -46.899 15.1391 -65.3178 9.79515 82.9833 -6.34963 -67.5608 -6.81533 -0.202449 TIMING: 4070200 CPU: 12870.7, 0.00315688/step Wall: 12870.7, 0.00315688/step, 0.815353 hours remaining, 238.355469 MB of memory in use. ENERGY: 4070200 4058.6929 20466.3614 14441.7557 241.2695 -203114.0753 2418.1397 0.0000 0.0000 52058.8061 -109429.0500 299.1827 -161487.8561 -109070.9582 299.3991 -104.2541 -71.9954 761108.3864 11.8708 11.9606 PRESSURE: 4070400 -278.628 84.5372 -211.897 84.537 -176.216 -206.982 -211.898 -206.982 52.6947 GPRESSURE: 4070400 -206.37 114.619 -324.548 -10.5712 -131.356 -297.94 -268.104 -251.594 26.4036 PRESSAVG: 4070400 -65.8919 -30.0729 -59.3493 -30.0728 36.3364 -26.1637 -59.3494 -26.1637 12.0359 GPRESSAVG: 4070400 -64.6184 -30.784 -59.2918 -28.0833 35.3076 -26.3442 -61.1247 -23.9752 12.1668 TIMING: 4070400 CPU: 12871.4, 0.00316108/step Wall: 12871.4, 0.00316108/step, 0.816262 hours remaining, 238.355469 MB of memory in use. ENERGY: 4070400 4014.8485 20548.1277 14475.2816 243.7827 -203259.7938 2260.7746 0.0000 0.0000 52459.8410 -109257.1377 301.4874 -161716.9787 -108879.7882 300.1245 -134.0498 -103.7741 761369.5498 -5.8399 -5.7147 PRESSURE: 4070600 200.536 99.7499 70.5889 99.7504 60.0385 17.8915 70.5885 17.8909 -19.3651 GPRESSURE: 4070600 233.933 254.891 51.9255 68.203 108.287 -17.7798 128.656 96.4632 -12.7279 PRESSAVG: 4070600 -8.58741 47.9036 -11.1062 47.9036 27.0073 -18.6776 -11.1062 -18.6776 5.04984 GPRESSAVG: 4070600 -9.49488 46.1226 -12.1909 47.0556 27.1391 -18.0444 -10.8363 -20.819 5.46018 TIMING: 4070600 CPU: 12872, 0.00316807/step Wall: 12872, 0.00316807/step, 0.81789 hours remaining, 238.355469 MB of memory in use. ENERGY: 4070600 3974.8200 20673.3586 14356.7317 236.3755 -203186.8073 2508.7020 0.0000 0.0000 52235.7251 -109201.0944 300.1994 -161436.8195 -108836.8410 300.4640 80.4030 109.8307 761561.5773 7.8232 7.7015 PRESSURE: 4070800 217.718 119.976 -42.3175 119.977 163.644 -164.687 -42.3182 -164.688 342.275 GPRESSURE: 4070800 183.169 135.644 -22.9852 147.585 315.255 -170.062 33.8578 -196.181 294.198 PRESSAVG: 4070800 -53.3436 22.2601 -58.839 22.2602 3.53909 37.5453 -58.839 37.5453 -18.2654 GPRESSAVG: 4070800 -52.659 22.5104 -59.4429 24.2846 2.74761 39.3218 -57.1748 39.3086 -17.9911 TIMING: 4070800 CPU: 12872.6, 0.00316651/step Wall: 12872.6, 0.00316651/step, 0.817312 hours remaining, 238.355469 MB of memory in use. ENERGY: 4070800 3884.6999 20618.8601 14352.7628 237.1981 -203208.6666 2485.0317 0.0000 0.0000 52258.6885 -109371.4255 300.3314 -161630.1140 -108999.3336 300.0378 241.2124 264.2070 760649.3449 -22.6900 -22.6342 PRESSURE: 4071000 -120.251 88.5179 121.268 88.5185 62.8809 41.437 121.267 41.4375 -72.3004 GPRESSURE: 4071000 -7.93425 139.19 143.165 11.4605 17.8179 53.9288 59.0073 55.9301 -53.8287 PRESSAVG: 4071000 59.6842 5.51078 8.71722 5.51081 -7.36561 18.5103 8.71717 18.5104 -8.31225 GPRESSAVG: 4071000 60.3731 5.19178 9.77772 3.00283 -7.60185 19.5168 7.06456 16.8126 -9.07637 TIMING: 4071000 CPU: 12873.3, 0.0031677/step Wall: 12873.3, 0.0031677/step, 0.817442 hours remaining, 238.355469 MB of memory in use. ENERGY: 4071000 4009.0529 20731.2706 14310.8084 254.0460 -203687.7179 2812.2207 0.0000 0.0000 52205.1110 -109365.2082 300.0235 -161570.3192 -109010.4163 299.9132 -43.2236 -14.6484 761700.3209 14.6688 14.5649 PRESSURE: 4071200 148.428 4.0647 101.332 4.06393 18.9221 44.2717 101.332 44.2711 -7.22191 GPRESSURE: 4071200 182.995 -36.8857 104.452 33.6289 18.6436 22.0205 -29.122 131.465 46.9821 PRESSAVG: 4071200 37.0105 12.189 -23.2816 12.189 -50.0531 29.5739 -23.2816 29.5739 -10.221 GPRESSAVG: 4071200 36.918 14.2035 -24.0846 12.7077 -50.6454 27.8974 -23.0217 32.2704 -9.70271 TIMING: 4071200 CPU: 12873.9, 0.00318636/step Wall: 12873.9, 0.00318636/step, 0.82208 hours remaining, 238.355469 MB of memory in use. ENERGY: 4071200 4039.6864 20696.4828 14315.4997 239.7644 -203347.9450 2641.0526 0.0000 0.0000 51797.5547 -109617.9044 297.6813 -161415.4592 -109260.4618 298.8713 53.3760 82.8735 761093.7414 -7.7545 -7.8100 PRESSURE: 4071400 258.667 -70.6208 157.735 -70.6206 -226.898 0.556773 157.735 0.557121 -278.636 GPRESSURE: 4071400 253.543 1.2484 197.205 28.3131 -225.176 -54.2612 24.2475 -65.1002 -208.492 PRESSAVG: 4071400 -38.8907 -1.92913 3.99768 -1.92912 12.2047 -67.5332 3.99771 -67.5332 24.5638 GPRESSAVG: 4071400 -40.1034 -1.74424 3.2456 -1.40096 14.0157 -65.9091 3.36585 -70.9894 24.5321 TIMING: 4071400 CPU: 12874.6, 0.00317087/step Wall: 12874.6, 0.00317087/step, 0.817908 hours remaining, 238.355469 MB of memory in use. ENERGY: 4071400 4024.2356 20520.2635 14348.7135 245.2000 -203088.3432 2237.4924 0.0000 0.0000 52073.7683 -109638.6699 299.2687 -161712.4382 -109268.7036 299.1471 -82.2893 -60.0416 760993.7009 -0.7074 -0.5186 PRESSURE: 4071600 -219.228 117.581 -190.238 117.582 -144.646 388.006 -190.238 388.007 -226.911 GPRESSURE: 4071600 -190.895 -31.6442 -164.364 -24.0197 -84.8335 417.118 -211.814 239.91 -211.607 PRESSAVG: 4071600 19.2032 8.8793 -48.2765 8.87933 11.3845 11.3936 -48.2765 11.3936 -13.1105 GPRESSAVG: 4071600 19.7542 9.14372 -47.5332 10.7956 10.7924 10.4877 -46.4199 13.8035 -12.8962 TIMING: 4071600 CPU: 12875.2, 0.00317386/step Wall: 12875.2, 0.00317386/step, 0.818503 hours remaining, 238.355469 MB of memory in use. ENERGY: 4071600 4037.7035 20529.9373 14413.7908 231.6264 -203001.2139 2024.4705 0.0000 0.0000 51945.1017 -109818.5838 298.5292 -161763.6854 -109464.4533 299.1010 -196.9286 -162.4453 760164.7093 5.8257 5.8835 PRESSURE: 4071800 207.016 -125.515 -6.16954 -125.515 127.418 -105.023 -6.17076 -105.024 -79.5328 GPRESSURE: 4071800 254.287 -33.9914 11.8774 -23.0941 160.108 -170.053 -21.7488 -211.505 -50.4688 PRESSAVG: 4071800 3.88381 41.1792 -37.6821 41.1792 8.41302 6.25435 -37.6821 6.25431 1.53937 GPRESSAVG: 4071800 3.54282 39.5516 -39.1527 40.4454 8.89712 6.3318 -38.2036 4.39826 1.58883 TIMING: 4071800 CPU: 12875.8, 0.00319257/step Wall: 12875.8, 0.00319257/step, 0.823152 hours remaining, 238.355469 MB of memory in use. ENERGY: 4071800 3946.3985 20526.0493 14367.3491 232.2154 -203448.1351 2637.9100 0.0000 0.0000 51978.1042 -109760.1085 298.7189 -161738.2127 -109400.3053 299.0228 84.9671 121.3089 759056.0352 4.6121 4.6763 PRESSURE: 4072000 -245.578 -215.816 -62.524 -215.817 -187.979 -151.634 -62.5242 -151.632 -193.24 GPRESSURE: 4072000 -241.724 -193.642 -81.7118 -268.387 -129.43 -163.07 -94.3181 -133.78 -193.155 PRESSAVG: 4072000 7.60734 -28.787 -40.488 -28.787 19.9443 -78.8119 -40.4879 -78.8118 -4.83982 GPRESSAVG: 4072000 7.55955 -28.4358 -38.7294 -28.8348 20.2805 -78.6541 -40.4404 -78.2427 -5.12058 TIMING: 4072000 CPU: 12876.5, 0.00314722/step Wall: 12876.5, 0.00314722/step, 0.811284 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4072000 4059.9344 20567.7178 14372.0959 266.2589 -203343.6272 2355.9073 0.0000 0.0000 52025.6065 -109696.1065 298.9919 -161721.7130 -109343.0326 299.0143 -208.9325 -188.1026 762404.5751 7.5706 7.5732 PRESSURE: 4072200 423.13 269.352 184.529 269.352 226.893 86.0898 184.529 86.0897 446.897 GPRESSURE: 4072200 524.217 231.326 244.89 352.947 305.323 88.5428 71.5716 86.756 352.883 PRESSAVG: 4072200 13.9479 -23.2014 -89.5468 -23.2013 -7.08638 -50.6313 -89.5468 -50.6313 8.07166 GPRESSAVG: 4072200 13.8096 -20.6967 -89.7501 -23.39 -8.12751 -51.0673 -91.64 -48.3618 9.73349 TIMING: 4072200 CPU: 12877.1, 0.00315966/step Wall: 12877.1, 0.00315966/step, 0.814314 hours remaining, 238.355469 MB of memory in use. ENERGY: 4072200 3959.2173 20281.0210 14451.1725 235.1016 -204008.2872 2965.6098 0.0000 0.0000 52331.7941 -109784.3709 300.7515 -162116.1650 -109408.9098 299.0268 365.6401 394.1412 760095.8982 4.9777 5.1385 LDB: ============= START OF LOAD BALANCING ============== 12889.5 LDB: ============== END OF LOAD BALANCING =============== 12889.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12889.5 LDB: ============= START OF LOAD BALANCING ============== 12889.8 LDB: Largest compute 7068 load 0.036236 is 18.5% of average load 0.196035 LDB: Average compute 0.004406 is 2.2% of average load 0.196035 LDB: TIME 12889.8 LOAD: AVG 0.196035 MAX 0.216817 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 12889.8 LOAD: AVG 0.196035 MAX 0.216817 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 12889.8 LOAD: AVG 0.196035 MAX 0.216817 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 12889.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12889.8 PRESSURE: 4072400 401.331 -4.1175 66.4797 -4.11776 162.726 33.181 66.4799 33.1817 401.668 GPRESSURE: 4072400 419.261 -43.0483 71.4066 49.2879 216.073 -33.2259 198.236 52.5945 411.237 PRESSAVG: 4072400 13.0778 15.8003 -40.6728 15.8003 1.76727 -13.5643 -40.6728 -13.5643 -18.858 GPRESSAVG: 4072400 13.5176 15.1337 -42.2047 15.9199 2.16375 -13.8291 -37.1071 -13.8754 -19.0882 TIMING: 4072400 CPU: 12877.7, 0.00324269/step Wall: 12877.7, 0.00324269/step, 0.835534 hours remaining, 237.843750 MB of memory in use. ENERGY: 4072400 3928.1084 20503.2877 14390.1981 239.2034 -203598.8574 2739.9482 0.0000 0.0000 51900.5082 -109897.6033 298.2729 -161798.1115 -109521.6742 298.9013 321.9086 348.8572 760560.3210 -1.3377 -1.1356 PRESSURE: 4072600 164.947 73.8272 -96.8848 73.827 355.688 -7.03714 -96.8853 -7.03862 412.81 GPRESSURE: 4072600 208.272 114.087 -127.386 121.155 363.904 -42.6923 -213.228 38.9297 430.376 PRESSAVG: 4072600 -43.906 -3.62097 -47.2631 -3.62094 2.24965 -44.9337 -47.2632 -44.9339 -8.86605 GPRESSAVG: 4072600 -43.554 -4.93196 -45.3856 -2.77513 2.21294 -45.7355 -49.5271 -46.2003 -9.6828 TIMING: 4072600 CPU: 12878.4, 0.00315525/step Wall: 12878.4, 0.00315525/step, 0.812828 hours remaining, 237.843750 MB of memory in use. ENERGY: 4072600 3963.5665 20449.2601 14421.1752 248.9127 -203623.3405 2752.5055 0.0000 0.0000 52036.5081 -109751.4124 299.0545 -161787.9205 -109388.7677 298.4867 311.1481 334.1841 760518.2770 -16.8408 -17.0080 PRESSURE: 4072800 214.618 -36.8197 -231.086 -36.8191 363.54 -7.34576 -231.085 -7.34352 -4.47668 GPRESSURE: 4072800 254.931 -9.50309 -218.096 -34.3838 406.419 -86.1258 -264.037 11.2918 -9.38869 PRESSAVG: 4072800 23.5921 -68.1215 -9.11862 -68.1215 -27.8995 46.482 -9.11862 46.482 -4.797 GPRESSAVG: 4072800 23.696 -66.765 -9.14927 -69.2418 -27.9473 46.2966 -10.6659 47.5123 -4.74681 TIMING: 4072800 CPU: 12879, 0.00316675/step Wall: 12879, 0.00316675/step, 0.815615 hours remaining, 237.843750 MB of memory in use. ENERGY: 4072800 3937.8328 20619.6072 14344.9665 235.6462 -203799.2822 2988.6337 0.0000 0.0000 51906.7022 -109765.8936 298.3085 -161672.5958 -109406.6113 298.5561 191.2270 217.3203 760469.5560 -3.0348 -2.9994 PRESSURE: 4073000 -161.589 81.3912 -266.618 81.3921 132.427 -242.069 -266.619 -242.069 -208.082 GPRESSURE: 4073000 -64.1507 -5.23365 -312.933 26.9999 163.532 -224.47 -242.809 -81.1214 -251.364 PRESSAVG: 4073000 33.4143 -24.3816 9.97354 -24.3816 -43.956 -16.1205 9.97347 -16.1205 -3.1557 GPRESSAVG: 4073000 34.4997 -26.4486 9.5239 -23.4381 -45.8378 -15.6214 12.1817 -13.716 -2.29597 TIMING: 4073000 CPU: 12879.6, 0.00315757/step Wall: 12879.6, 0.00315757/step, 0.813074 hours remaining, 237.843750 MB of memory in use. ENERGY: 4073000 4068.4839 20310.4876 14353.0652 225.1691 -203397.5941 2585.5924 0.0000 0.0000 52118.2070 -109736.5888 299.5241 -161854.7958 -109368.5131 298.3528 -79.0815 -50.6608 761308.3347 -4.5658 -4.5447 PRESSURE: 4073200 101.366 47.5187 -144.715 47.5177 0.442545 -116.004 -144.714 -116.003 506.555 GPRESSURE: 4073200 99.5376 42.1325 -129.832 -10.2636 75.0471 -157.996 -45.6523 -171.258 529.561 PRESSAVG: 4073200 -31.7382 30.7594 -4.64177 30.7595 7.31247 -7.98606 -4.64184 -7.98606 -1.4703 GPRESSAVG: 4073200 -33.5856 31.3664 -5.73683 29.5124 9.61616 -8.02388 -4.0553 -11.3652 -1.76556 TIMING: 4073200 CPU: 12880.3, 0.00315911/step Wall: 12880.3, 0.00315911/step, 0.813294 hours remaining, 237.843750 MB of memory in use. ENERGY: 4073200 3870.2715 20442.8295 14375.8492 260.4608 -203606.2529 2863.3833 0.0000 0.0000 52109.1615 -109684.2971 299.4721 -161793.4586 -109318.8451 298.7812 202.7880 234.7152 760765.8328 -8.6320 -8.5783 PRESSURE: 4073400 -162.119 -165.092 193.515 -165.091 -82.5481 -168.512 193.514 -168.512 171.24 GPRESSURE: 4073400 -137.429 -204.314 208.429 -151.513 26.5789 -85.2205 197.418 -144.962 109.504 PRESSAVG: 4073400 -44.6876 34.898 -40.37 34.8981 57.1379 -85.8786 -40.37 -85.8785 -3.09923 GPRESSAVG: 4073400 -43.4334 33.8657 -39.5715 34.3942 55.6641 -86.0507 -41.2776 -84.9896 -3.1066 TIMING: 4073400 CPU: 12880.9, 0.00316162/step Wall: 12880.9, 0.00316162/step, 0.813766 hours remaining, 237.843750 MB of memory in use. ENERGY: 4073400 3947.1800 20559.4917 14332.0372 260.6194 -203325.7005 2381.8615 0.0000 0.0000 52040.6818 -109803.8290 299.0785 -161844.5107 -109437.0456 298.9910 -24.4758 -0.4488 760376.6781 3.1170 3.0414 PRESSURE: 4073600 -107.566 -55.8809 -120.5 -55.8813 616.944 239.19 -120.499 239.19 63.0296 GPRESSURE: 4073600 53.4337 -136.789 -94.3626 -5.56334 557.604 174.576 -36.4144 211.866 49.3087 PRESSAVG: 4073600 -40.0336 -23.5345 0.182262 -23.5346 50.0928 -26.7813 0.182181 -26.7814 17.644 GPRESSAVG: 4073600 -39.8719 -20.5796 -0.528465 -24.3594 50.9575 -24.8433 0.765239 -28.9751 17.1649 TIMING: 4073600 CPU: 12881.5, 0.00315968/step Wall: 12881.5, 0.00315968/step, 0.81309 hours remaining, 237.843750 MB of memory in use. ENERGY: 4073600 3954.0120 20540.6145 14308.8222 231.7717 -203244.1537 2635.7729 0.0000 0.0000 51849.9233 -109723.2370 297.9822 -161573.1604 -109357.5813 298.8451 190.8022 220.1153 760931.7176 9.2344 9.4168 PRESSURE: 4073800 -45.7198 96.6627 11.8431 96.662 -172.063 119.197 11.8442 119.198 94.0313 GPRESSURE: 4073800 -65.452 1.25432 70.3828 165.961 -1.70889 101.054 -6.34865 198.931 50.7672 PRESSAVG: 4073800 -51.2151 -3.76321 -26.125 -3.76311 38.7167 -1.37648 -26.1249 -1.37648 -13.5854 GPRESSAVG: 4073800 -52.4988 -4.42279 -25.4714 -2.53325 38.2619 -2.44106 -25.3242 -1.2252 -12.3319 TIMING: 4073800 CPU: 12882.2, 0.00315928/step Wall: 12882.2, 0.00315927/step, 0.812811 hours remaining, 237.843750 MB of memory in use. ENERGY: 4073800 3928.5039 20434.7762 14413.1988 236.6277 -203141.2537 2510.3506 0.0000 0.0000 51912.5818 -109705.2147 298.3423 -161617.7965 -109338.4938 298.9640 -41.2504 -5.4645 762018.1960 -8.6946 -8.8563 PRESSURE: 4074000 -121.092 -86.4459 -68.5495 -86.4455 -152.119 251.531 -68.55 251.532 -294.275 GPRESSURE: 4074000 -50.0289 -28.5283 -161.751 -129.343 -116.32 207.634 -92.443 193.525 -338.657 PRESSAVG: 4074000 -20.8576 -29.159 -25.4201 -29.159 18.5626 21.3183 -25.42 21.3184 -5.03874 GPRESSAVG: 4074000 -20.5993 -29.142 -24.5642 -28.1232 18.5401 19.6888 -26.4024 24.1993 -5.56925 TIMING: 4074000 CPU: 12882.8, 0.00316193/step Wall: 12882.8, 0.00316193/step, 0.813319 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4074000 3962.0629 20607.1936 14440.0349 242.7222 -203298.3939 2331.8357 0.0000 0.0000 51994.3523 -109720.1922 298.8123 -161714.5445 -109361.7588 298.9891 -189.1620 -168.3354 759978.4206 -2.4445 -2.5428 PRESSURE: 4074200 225.725 -65.8987 -29.4583 -65.8982 90.5411 -297.888 -29.458 -297.889 170.771 GPRESSURE: 4074200 230.196 -146.157 -52.3973 -47.2796 138.993 -343.932 -35.2408 -75.6849 204.863 PRESSAVG: 4074200 -49.809 14.5127 0.436281 14.5127 19.2795 9.9785 0.436288 9.97845 -9.81247 GPRESSAVG: 4074200 -50.6658 11.5251 0.181768 15.5908 19.8979 10.7517 -0.498956 8.74391 -9.75071 TIMING: 4074200 CPU: 12883.4, 0.00317599/step Wall: 12883.4, 0.00317599/step, 0.816758 hours remaining, 237.843750 MB of memory in use. ENERGY: 4074200 3950.6889 20474.5976 14391.5338 215.8365 -203985.0121 2941.3714 0.0000 0.0000 52101.3923 -109909.5915 299.4274 -162010.9838 -109539.7993 298.8085 162.3457 191.3510 761322.3332 -13.4473 -13.5062 PRESSURE: 4074400 84.5521 -133.269 85.7735 -133.269 277.379 125.309 85.7734 125.309 92.3926 GPRESSURE: 4074400 245.032 -129.06 185.678 -27.8192 181.194 63.8648 121.465 101.396 123.797 PRESSAVG: 4074400 4.28565 -65.1711 -26.082 -65.1711 26.6336 -49.3869 -26.082 -49.3869 -29.1559 GPRESSAVG: 4074400 5.36157 -63.0637 -26.8827 -67.8422 25.8237 -47.5789 -23.3186 -49.2519 -28.6929 TIMING: 4074400 CPU: 12884.1, 0.00317396/step Wall: 12884.1, 0.00317396/step, 0.816061 hours remaining, 237.843750 MB of memory in use. ENERGY: 4074400 3980.2238 20451.9267 14501.2827 249.4532 -203480.5867 2460.0413 0.0000 0.0000 51949.5805 -109888.0786 298.5550 -161837.6590 -109528.1557 298.8401 151.4411 183.3411 761274.5761 0.5878 0.8308 PRESSURE: 4074600 -24.9063 -110.741 -128.867 -110.741 182.926 -48.6642 -128.867 -48.6632 459.3 GPRESSURE: 4074600 -0.0991519 -109.706 -272.164 -97.3003 295.031 -29.3536 -142.607 -39.6876 415.022 PRESSAVG: 4074600 12.7223 -86.135 -13.7733 -86.135 -8.52752 -30.1953 -13.7733 -30.1953 -5.45028 GPRESSAVG: 4074600 12.9765 -87.6448 -13.0052 -83.7318 -7.64754 -31.1397 -15.953 -30.4148 -5.73509 TIMING: 4074600 CPU: 12884.7, 0.0031744/step Wall: 12884.7, 0.0031744/step, 0.815998 hours remaining, 237.843750 MB of memory in use. ENERGY: 4074600 4007.7371 20369.4163 14323.9594 231.5413 -203521.1586 2436.7728 0.0000 0.0000 52149.1813 -110002.5503 299.7021 -162151.7317 -109645.5569 298.6600 205.7732 236.6513 760156.6992 -0.4185 -0.1354 PRESSURE: 4074800 -79.4405 -60.0813 -183.045 -60.081 -109.192 -81.5179 -183.044 -81.5179 -131.154 GPRESSURE: 4074800 -90.8929 -98.2301 -191.348 -64.8854 -11.0097 -58.5955 -27.517 -221.109 -117.437 PRESSAVG: 4074800 45.5268 -21.9274 -54.775 -21.9274 -41.1139 1.7189 -54.775 1.71886 0.358245 GPRESSAVG: 4074800 45.8078 -21.4131 -54.1605 -23.913 -42.0775 1.53976 -54.3902 4.02895 0.630395 TIMING: 4074800 CPU: 12885.3, 0.00316632/step Wall: 12885.3, 0.00316632/step, 0.813745 hours remaining, 237.843750 MB of memory in use. ENERGY: 4074800 4030.9933 20540.8172 14371.6745 244.3449 -203740.4419 2754.6459 0.0000 0.0000 51897.7614 -109900.2047 298.2571 -161797.9660 -109549.6781 298.8877 -106.5954 -73.1133 761534.0684 1.5904 1.4536 PRESSURE: 4075000 87.8722 -271.847 58.8694 -271.848 -321.314 -136.341 58.8701 -136.341 -407.6 GPRESSURE: 4075000 140.789 -331.313 33.162 -267.704 -303.204 -93.6128 35.0731 -92.0757 -387.727 PRESSAVG: 4075000 41.5302 -62.9437 -54.7973 -62.9438 -18.5307 -42.0328 -54.7973 -42.0328 -8.92727 GPRESSAVG: 4075000 40.8366 -62.6721 -55.8518 -61.3715 -18.783 -40.9772 -53.0678 -43.6269 -7.48874 TIMING: 4075000 CPU: 12886, 0.00318501/step Wall: 12886, 0.00318501/step, 0.818371 hours remaining, 237.843750 MB of memory in use. ENERGY: 4075000 4037.5636 20525.6633 14381.7462 246.8265 -203604.5316 2485.7552 0.0000 0.0000 52098.6343 -109828.3424 299.4116 -161926.9767 -109464.2749 299.0194 -213.6807 -183.3806 762049.2955 4.6907 4.8549 PRESSURE: 4075200 -249.479 -15.717 -67.2377 -15.7159 -23.9083 75.4787 -67.2375 75.4769 -127.876 GPRESSURE: 4075200 -117.215 -57.5597 -24.7714 -37.6016 -115.046 26.7016 -194.503 72.7373 -78.4869 PRESSAVG: 4075200 -23.7452 -56.0417 -31.4181 -56.0417 -17.9506 -37.0009 -31.418 -37.0009 -12.3365 GPRESSAVG: 4075200 -22.326 -57.7488 -33.1074 -59.3303 -18.4395 -37.0805 -33.2155 -36.031 -13.5209 TIMING: 4075200 CPU: 12886.6, 0.0031703/step Wall: 12886.6, 0.0031703/step, 0.814415 hours remaining, 237.843750 MB of memory in use. ENERGY: 4075200 4072.6895 20405.0174 14367.9142 241.0940 -203597.1481 2743.7158 0.0000 0.0000 51835.0705 -109931.6467 297.8969 -161766.7172 -109569.7885 298.6893 -133.7542 -103.5826 761335.7077 -18.0108 -18.0955 PRESSURE: 4075400 151.355 -72.6301 99.4987 -72.6302 -286.601 68.3094 99.4985 68.3083 9.30496 GPRESSURE: 4075400 161.746 -108.034 89.6278 -61.6122 -268.21 40.7198 148.608 82.2194 64.9084 PRESSAVG: 4075400 13.0178 -99.9791 -17.4975 -99.979 -28.8225 -12.6793 -17.4975 -12.6792 -5.72023 GPRESSAVG: 4075400 11.666 -97.6882 -15.9432 -97.2106 -27.8261 -13.1378 -16.9528 -13.7326 -5.53677 TIMING: 4075400 CPU: 12887.2, 0.00316393/step Wall: 12887.2, 0.00316394/step, 0.812604 hours remaining, 237.843750 MB of memory in use. ENERGY: 4075400 3946.7136 20466.5705 14358.0153 254.5903 -203366.4341 2464.8136 0.0000 0.0000 52012.8428 -109862.8882 298.9185 -161875.7309 -109495.6788 298.6566 -41.9804 -13.8516 762945.3702 -7.1750 -7.2323 PRESSURE: 4075600 -420.375 -13.6184 25.8435 -13.6179 -336.478 -73.0327 25.8438 -73.0321 -385.929 GPRESSURE: 4075600 -496.337 -122.693 -67.7287 -84.7349 -294.338 -78.5303 -58.6244 -52.6629 -274.119 PRESSAVG: 4075600 -39.2175 -53.0591 -36.2679 -53.0591 -43.7445 -7.11753 -36.2678 -7.11752 6.39409 GPRESSAVG: 4075600 -37.6329 -53.2508 -35.7669 -55.4543 -43.8553 -8.16111 -36.9557 -8.13481 4.87559 TIMING: 4075600 CPU: 12887.9, 0.00318415/step Wall: 12887.9, 0.00318415/step, 0.817618 hours remaining, 237.843750 MB of memory in use. ENERGY: 4075600 4078.6911 20614.3102 14369.6221 240.6764 -203572.3842 2583.5769 0.0000 0.0000 51683.7593 -110001.7482 297.0273 -161685.5075 -109648.8225 298.9271 -380.9272 -354.9311 762735.7722 -25.5226 -25.5375 PRESSURE: 4075800 346.205 -80.2541 -142.461 -80.2541 -331.693 -6.55056 -142.461 -6.54994 109.917 GPRESSURE: 4075800 324.077 -63.1731 -79.2444 -17.0388 -275.428 -32.0492 -97.4698 157.291 163.925 PRESSAVG: 4075800 33.781 -50.9223 -38.6512 -50.9222 11.0087 21.6621 -38.6511 21.6621 -20.6631 GPRESSAVG: 4075800 32.8795 -51.1269 -40.3891 -48.1197 11.4312 21.9721 -36.5834 21.9736 -20.0662 TIMING: 4075800 CPU: 12888.5, 0.00318287/step Wall: 12888.5, 0.00318288/step, 0.817115 hours remaining, 237.843750 MB of memory in use. ENERGY: 4075800 3930.8779 20512.9901 14307.5678 233.6367 -203005.5698 2414.8259 0.0000 0.0000 51744.0523 -109861.6190 297.3738 -161605.6713 -109506.3853 298.3160 41.4765 70.8579 764564.5689 8.0422 8.0815 PRESSURE: 4076000 -302.701 -11.6454 169.324 -11.6457 -256.628 55.7307 169.325 55.7305 -42.7926 GPRESSURE: 4076000 -271.247 -31.3014 186.598 45.5291 -285.625 17.844 66.2276 97.2167 26.7006 PRESSAVG: 4076000 -35.5062 -47.9772 5.95618 -47.9773 5.71782 23.7235 5.95615 23.7235 -9.67415 GPRESSAVG: 4076000 -36.7034 -47.0772 4.90211 -48.598 6.33442 23.1723 3.2021 24.6207 -9.65536 TIMING: 4076000 CPU: 12889.1, 0.00316008/step Wall: 12889.1, 0.00316008/step, 0.811088 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4076000 4041.0177 20415.6715 14375.1007 260.9060 -203399.0133 2559.8614 0.0000 0.0000 51955.8654 -109790.5906 298.5911 -161746.4560 -109432.2197 298.3235 -200.7072 -176.7238 763277.3339 -13.1542 -13.3415 PRESSURE: 4076200 38.7282 -164.937 303.78 -164.937 171.393 -211.004 303.779 -211.005 -264.723 GPRESSURE: 4076200 71.7241 -85.5011 300.381 -149.364 195.034 -275.708 232.034 -245.919 -233.18 PRESSAVG: 4076200 18.7204 -25.1684 -59.1701 -25.1685 11.5317 18.4524 -59.1701 18.4524 2.06401 GPRESSAVG: 4076200 19.2262 -25.2823 -56.8895 -23.6789 10.4698 19.9596 -57.0629 16.8473 3.31089 TIMING: 4076200 CPU: 12889.8, 0.00315286/step Wall: 12889.8, 0.00315286/step, 0.809058 hours remaining, 237.843750 MB of memory in use. ENERGY: 4076200 3955.9122 20383.9688 14462.3534 246.5243 -203407.3663 2577.8190 0.0000 0.0000 52086.3923 -109694.3963 299.3412 -161780.7887 -109333.0009 298.8241 -18.2004 11.1928 762581.2975 10.7721 11.0023 LDB: ============= START OF LOAD BALANCING ============== 12902.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12902.2 LDB: =============== DONE WITH MIGRATION ================ 12902.2 LDB: ============= START OF LOAD BALANCING ============== 12902.5 LDB: Largest compute 7068 load 0.033536 is 17.1% of average load 0.196039 LDB: Average compute 0.004380 is 2.2% of average load 0.196039 LDB: TIME 12902.5 LOAD: AVG 0.196039 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 12902.5 LOAD: AVG 0.196039 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 12902.5 LOAD: AVG 0.196039 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 12902.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12902.5 PRESSURE: 4076400 110.206 87.6174 -278.403 87.6174 -277.866 38.523 -278.402 38.5238 -6.07114 GPRESSURE: 4076400 101.013 49.8904 -176.553 3.66877 -203.026 -84.6706 -365.297 -61.5139 23.7138 PRESSAVG: 4076400 27.2524 6.04437 -52.1875 6.04434 -23.324 -17.4994 -52.1875 -17.4995 -20.7184 GPRESSAVG: 4076400 27.5942 5.79368 -52.8871 4.00687 -21.7144 -17.6088 -54.0368 -17.382 -22.2325 TIMING: 4076400 CPU: 12890.4, 0.00323792/step Wall: 12890.4, 0.00323792/step, 0.830705 hours remaining, 237.843750 MB of memory in use. ENERGY: 4076400 3929.5971 20639.2059 14367.5744 255.5934 -203095.1927 2454.3524 0.0000 0.0000 51914.5016 -109534.3679 298.3534 -161448.8695 -109167.3146 299.0344 -57.9102 -26.0999 763335.9677 -5.5967 -5.4509 PRESSURE: 4076600 93.5792 -94.3733 -33.9581 -94.373 83.4634 173.225 -33.9577 173.224 198.804 GPRESSURE: 4076600 149.606 -47.7505 1.05547 -40.309 48.4012 241.887 -105.819 38.4075 231.162 PRESSAVG: 4076600 57.4185 -39.0621 5.48811 -39.0621 -53.7822 -15.5707 5.48812 -15.5707 -12.5564 GPRESSAVG: 4076600 57.1951 -39.2675 5.98746 -40.0758 -54.0414 -14.7161 6.92311 -14.8437 -12.6772 TIMING: 4076600 CPU: 12891, 0.00315385/step Wall: 12891, 0.00315385/step, 0.808962 hours remaining, 237.843750 MB of memory in use. ENERGY: 4076600 3955.9047 20600.8479 14357.1147 243.4186 -203567.3873 2883.5324 0.0000 0.0000 52017.1555 -109509.4135 298.9433 -161526.5690 -109147.1908 299.0455 125.2822 143.0563 762546.0740 -2.9734 -3.1745 PRESSURE: 4076800 73.1744 -282.008 163.219 -282.008 -148.347 -197.616 163.218 -197.615 -120.771 GPRESSURE: 4076800 103.395 -258.715 93.6806 -281.139 -110.898 -237.957 42.5263 -202.053 -91.0029 PRESSAVG: 4076800 -0.395595 -53.1306 52.6668 -53.1306 -12.6316 -50.446 52.6667 -50.4461 0.73047 GPRESSAVG: 4076800 -1.38809 -53.1299 53.1566 -49.9292 -13.171 -50.9646 52.2472 -52.5937 1.88348 TIMING: 4076800 CPU: 12891.7, 0.0031327/step Wall: 12891.7, 0.0031327/step, 0.803364 hours remaining, 237.843750 MB of memory in use. ENERGY: 4076800 3910.9838 20522.9375 14387.2188 249.9149 -203282.0743 2628.4413 0.0000 0.0000 52019.0302 -109563.5477 298.9541 -161582.5780 -109207.3238 298.7686 -65.3145 -32.8352 765121.5664 -4.0989 -4.2252 PRESSURE: 4077000 44.136 -25.7492 195.148 -25.7494 -276.421 -57.2077 195.147 -57.2077 -12.4255 GPRESSURE: 4077000 42.9593 -31.4252 141.487 -85.6873 -238.268 -50.9117 212.793 8.36145 37.2537 PRESSAVG: 4077000 -20.8556 28.1236 -52.9837 28.1236 53.4295 4.91499 -52.9837 4.91502 -13.0541 GPRESSAVG: 4077000 -21.1996 27.5281 -54.0971 26.4947 53.1962 4.78558 -52.6555 7.81528 -12.7848 TIMING: 4077000 CPU: 12892.3, 0.00315872/step Wall: 12892.3, 0.00315873/step, 0.809862 hours remaining, 237.843750 MB of memory in use. ENERGY: 4077000 3949.3397 20312.4329 14346.2676 231.3585 -203175.2776 2463.9926 0.0000 0.0000 52176.6752 -109695.2112 299.8601 -161871.8864 -109323.8919 298.6360 -81.5700 -52.6849 763716.2232 6.5066 6.4039 PRESSURE: 4077200 7.89599 -61.0887 99.0412 -61.0887 -255.565 -137.919 99.0412 -137.919 -474.46 GPRESSURE: 4077200 -29.193 94.6284 99.2376 -16.5474 -186.316 -43.2374 -31.2046 -190.44 -443.21 PRESSAVG: 4077200 14.8923 -31.1164 13.5556 -31.1165 -26.559 2.0051 13.5556 2.00505 -23.8586 GPRESSAVG: 4077200 15.5883 -31.273 13.2975 -30.7783 -25.94 1.3192 14.3094 1.1788 -25.234 TIMING: 4077200 CPU: 12892.9, 0.00316017/step Wall: 12892.9, 0.00316017/step, 0.810057 hours remaining, 237.843750 MB of memory in use. ENERGY: 4077200 3938.8464 20396.8160 14367.6602 257.3550 -203317.7788 2652.0653 0.0000 0.0000 51895.0399 -109809.9958 298.2415 -161705.0358 -109455.7499 298.1811 -240.7098 -219.5729 766099.3469 -11.8417 -11.8619 PRESSURE: 4077400 87.9751 18.1286 45.9411 18.128 112.84 -141.784 45.9394 -141.784 56.9346 GPRESSURE: 4077400 105.61 -15.6515 -24.7692 70.9548 238.426 -60.6992 -39.7111 -202.551 -9.82938 PRESSAVG: 4077400 45.5461 -64.8939 29.5571 -64.8939 -42.4177 -38.7717 29.5571 -38.7717 9.04733 GPRESSAVG: 4077400 45.669 -65.368 29.619 -65.4194 -42.7429 -39.3633 27.064 -38.5765 8.99807 TIMING: 4077400 CPU: 12893.6, 0.0031528/step Wall: 12893.6, 0.0031528/step, 0.807994 hours remaining, 237.843750 MB of memory in use. ENERGY: 4077400 3874.9522 20363.2593 14355.0816 237.4665 -203402.7252 2814.1933 0.0000 0.0000 51979.5962 -109778.1761 298.7275 -161757.7723 -109413.9913 297.8964 85.9167 111.4024 764614.9913 4.0586 3.9747 PRESSURE: 4077600 4.39062 150.278 -10.5384 150.278 79.9772 -36.4951 -10.5391 -36.4949 317.271 GPRESSURE: 4077600 92.8577 157.483 -31.1306 105.424 66.6738 -73.5945 62.4459 -113.062 353.832 PRESSAVG: 4077600 82.0592 -25.4109 -4.97109 -25.4109 -77.5502 -39.477 -4.97107 -39.477 8.38091 GPRESSAVG: 4077600 81.8135 -26.0855 -4.94489 -25.2763 -78.546 -40.2351 -2.93377 -40.5534 9.64576 TIMING: 4077600 CPU: 12894.2, 0.00315151/step Wall: 12894.2, 0.00315151/step, 0.807486 hours remaining, 237.843750 MB of memory in use. ENERGY: 4077600 3973.1150 20383.3526 14403.6489 237.7950 -203637.3783 2816.9988 0.0000 0.0000 51949.7755 -109872.6924 298.5561 -161822.4680 -109509.2410 298.3153 133.8795 171.1211 762869.4967 4.2966 4.3044 PRESSURE: 4077800 -67.3695 -118.026 83.8274 -118.026 116.489 -88.0985 83.8267 -88.098 -58.2209 GPRESSURE: 4077800 50.7232 -59.0521 73.5717 50.7275 61.7973 -67.5453 64.9553 20.4958 -49.2742 PRESSAVG: 4077800 28.783 33.6148 1.34285 33.6147 -16.4324 -0.538672 1.34276 -0.538668 -8.18299 GPRESSAVG: 4077800 29.8268 34.3171 2.3269 36.0891 -15.3745 1.5487 0.76491 -0.147028 -10.0929 TIMING: 4077800 CPU: 12894.8, 0.00315006/step Wall: 12894.8, 0.00315006/step, 0.806941 hours remaining, 237.843750 MB of memory in use. ENERGY: 4077800 3957.4587 20454.4054 14408.7489 271.1401 -203725.2534 2732.5391 0.0000 0.0000 52168.9792 -109731.9821 299.8158 -161900.9612 -109359.7664 298.4888 -3.0339 21.0821 764618.5234 1.3892 1.4531 PRESSURE: 4078000 -173.166 -171.612 52.5564 -171.612 74.8709 178.258 52.5568 178.258 -64.0619 GPRESSURE: 4078000 -107.864 -31.3012 -4.28454 -150.36 72.5361 81.6235 -9.2274 143.237 -62.113 PRESSAVG: 4078000 31.6872 -4.71486 -21.89 -4.71485 -37.0126 -32.87 -21.89 -32.87 -6.49829 GPRESSAVG: 4078000 31.0206 -2.58607 -22.9538 -8.9076 -38.171 -33.6264 -21.154 -32.86 -5.66453 TIMING: 4078000 CPU: 12895.5, 0.00315513/step Wall: 12895.5, 0.00315513/step, 0.808064 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4078000 3897.9639 20554.0266 14385.2254 250.7422 -203293.3608 2666.2520 0.0000 0.0000 51794.2526 -109744.8980 297.6623 -161539.1507 -109386.6694 298.6040 -54.1189 -32.4803 764048.8169 -3.9412 -4.2717 PRESSURE: 4078200 -145.721 -150.066 -69.1949 -150.067 -245.816 -35.1461 -69.1953 -35.1455 -582.466 GPRESSURE: 4078200 -136.546 -77.7603 -111.658 -226.829 -167.869 -12.6798 -91.0658 -31.0031 -557.374 PRESSAVG: 4078200 -6.18322 -26.8819 6.20177 -26.8819 -13.0087 -50.4519 6.20176 -50.4519 -8.87418 GPRESSAVG: 4078200 -6.35429 -30.2007 6.29831 -24.5683 -12.504 -50.9362 4.2004 -49.2073 -8.86039 TIMING: 4078200 CPU: 12896.1, 0.00313934/step Wall: 12896.1, 0.00313934/step, 0.803845 hours remaining, 237.843750 MB of memory in use. ENERGY: 4078200 3951.8348 20360.8593 14427.6712 238.1369 -203382.0662 2524.5563 0.0000 0.0000 52133.2178 -109745.7899 299.6103 -161879.0077 -109381.6157 298.8020 -324.6676 -287.2630 763607.5630 -9.3554 -9.2396 PRESSURE: 4078400 114.73 157.006 -56.6579 157.008 -11.3886 -184.449 -56.6582 -184.449 -236.051 GPRESSURE: 4078400 118.084 135.181 6.93837 27.0218 63.855 -165.088 -28.1136 20.8784 -217.381 PRESSAVG: 4078400 -10.967 -51.2572 -3.61594 -51.2571 -31.7162 9.79731 -3.61596 9.79725 8.60421 GPRESSAVG: 4078400 -11.2488 -52.4975 -2.91284 -52.1671 -32.16 10.3028 -1.78465 8.91946 9.28347 TIMING: 4078400 CPU: 12896.7, 0.00315888/step Wall: 12896.7, 0.00315888/step, 0.808674 hours remaining, 237.843750 MB of memory in use. ENERGY: 4078400 3965.8193 20388.3950 14424.7170 244.0514 -203804.1600 2866.6977 0.0000 0.0000 52272.3897 -109642.0901 300.4101 -161914.4797 -109276.2673 299.1088 -44.2368 -11.8137 763404.0115 -11.3597 -11.3751 PRESSURE: 4078600 -22.6279 -12.8704 -84.4758 -12.8714 39.6063 -0.0937978 -84.4763 -0.0936613 67.9842 GPRESSURE: 4078600 124.301 -19.0104 -59.0031 -97.2088 85.6355 -20.1406 -119.565 -82.5207 -49.1907 PRESSAVG: 4078600 -56.6345 -40.1263 -12.9205 -40.1264 1.78576 55.0167 -12.9205 55.0166 -36.3821 GPRESSAVG: 4078600 -56.9428 -35.1101 -12.4323 -42.6089 2.5193 54.993 -11.733 56.2845 -36.6041 TIMING: 4078600 CPU: 12897.4, 0.00316183/step Wall: 12897.4, 0.00316183/step, 0.809252 hours remaining, 237.843750 MB of memory in use. ENERGY: 4078600 3950.9478 20737.5378 14395.0173 245.5963 -203356.4440 2820.1952 0.0000 0.0000 51860.0252 -109347.1242 298.0403 -161207.1495 -108987.8923 299.4273 28.3209 53.5818 765508.2485 -30.4103 -30.3426 PRESSURE: 4078800 -6.18514 2.22835 -110.816 2.22839 -287.854 -142.776 -110.815 -142.775 -264.115 GPRESSURE: 4078800 -53.0582 -28.3445 -155.561 43.3494 -156.455 -79.2867 -123.62 -96.8415 -276.365 PRESSAVG: 4078800 24.5533 -17.8519 3.02813 -17.8518 -8.29945 30.5663 3.02806 30.5663 -7.52196 GPRESSAVG: 4078800 23.5001 -20.3037 3.10322 -14.0966 -7.71417 31.3524 2.39828 27.5827 -7.48915 TIMING: 4078800 CPU: 12898, 0.00316286/step Wall: 12898, 0.00316286/step, 0.809341 hours remaining, 237.843750 MB of memory in use. ENERGY: 4078800 4044.8036 20440.6314 14403.2352 238.8653 -203642.2612 2644.2864 0.0000 0.0000 52284.5426 -109585.8966 300.4800 -161870.4393 -109214.4797 299.5287 -186.0513 -161.9592 764013.6446 2.9106 2.7656 PRESSURE: 4079000 -10.2782 42.0966 147.976 42.0965 -295.174 237.842 147.976 237.843 -48.9752 GPRESSURE: 4079000 -101.027 108.937 154.861 31.701 -186.734 125.329 216.854 155.64 27.5742 PRESSAVG: 4079000 18.3913 7.85002 34.0577 7.85005 -75.1512 -21.6807 34.0577 -21.6807 -15.0578 GPRESSAVG: 4079000 18.8984 8.71986 33.5587 6.17261 -75.1994 -22.5232 33.1929 -18.9102 -15.2112 TIMING: 4079000 CPU: 12898.6, 0.00316408/step Wall: 12898.6, 0.00316408/step, 0.809476 hours remaining, 237.843750 MB of memory in use. ENERGY: 4079000 4026.9020 20713.3570 14350.8650 251.5061 -203242.8436 2528.0817 0.0000 0.0000 51906.1154 -109466.0164 298.3052 -161372.1318 -109110.1224 299.3708 -118.1423 -86.7290 764971.9937 -23.9392 -23.8374 PRESSURE: 4079200 -51.0356 -9.73462 96.2961 -9.73414 -70.292 -209.219 96.2964 -209.22 153.704 GPRESSURE: 4079200 -41.3928 81.7792 105.77 -39.8279 -18.4335 -230.239 115.803 -303.751 176.264 PRESSAVG: 4079200 27.7713 -35.5725 10.8082 -35.5724 -7.06297 0.214395 10.8082 0.214311 -21.0863 GPRESSAVG: 4079200 29.3088 -36.1173 9.78116 -33.07 -8.1134 0.112752 11.1438 0.421063 -21.6514 TIMING: 4079200 CPU: 12899.3, 0.00316286/step Wall: 12899.3, 0.00316286/step, 0.80899 hours remaining, 237.843750 MB of memory in use. ENERGY: 4079200 3978.0177 20472.3365 14384.5629 269.6852 -203533.1488 2820.6096 0.0000 0.0000 51980.6627 -109627.2742 298.7336 -161607.9369 -109259.5395 299.5200 10.7920 38.8125 762744.1320 -0.1260 -0.1520 PRESSURE: 4079400 -292.151 -13.3018 12.6439 -13.3023 -147.74 -102.676 12.6445 -102.675 -155.225 GPRESSURE: 4079400 -157 143.429 17.0867 -85.555 -180.368 -93.904 -15.7288 -99.6863 -167.216 PRESSAVG: 4079400 16.2327 -40.1071 67.9579 -40.1071 -20.18 -9.91638 67.9578 -9.91639 -3.8863 GPRESSAVG: 4079400 15.7587 -37.6251 68.63 -44.2423 -20.2189 -9.14352 67.1837 -11.0885 -3.44696 TIMING: 4079400 CPU: 12899.9, 0.00314219/step Wall: 12899.9, 0.00314219/step, 0.803527 hours remaining, 237.843750 MB of memory in use. ENERGY: 4079400 3980.5415 20544.3518 14279.7307 245.3143 -203241.8812 2704.7075 0.0000 0.0000 51975.6957 -109511.5397 298.7050 -161487.2353 -109154.4725 299.2243 -198.3721 -168.1947 764151.7903 -2.6112 -2.6357 PRESSURE: 4079600 -284.983 -84.0758 -19.7748 -84.0757 -51.1596 216.277 -19.775 216.278 179.363 GPRESSURE: 4079600 -254.855 -54.5687 -113.667 69.2905 12.5557 234.476 8.40597 233.514 161.57 PRESSAVG: 4079600 -18.5388 -34.759 -1.97848 -34.7591 10.9032 25.2213 -1.97852 25.2213 -3.85919 GPRESSAVG: 4079600 -18.4271 -37.4342 -2.2686 -30.8383 10.7049 23.9581 -0.757704 25.8458 -3.74845 TIMING: 4079600 CPU: 12900.5, 0.00316422/step Wall: 12900.5, 0.00316422/step, 0.808987 hours remaining, 237.843750 MB of memory in use. ENERGY: 4079600 3944.0333 20424.3665 14416.7188 256.2723 -203558.1011 2743.5407 0.0000 0.0000 52261.5489 -109511.6205 300.3478 -161773.1695 -109153.0266 299.2021 -52.2600 -26.9097 763128.5109 -3.8316 -3.8236 PRESSURE: 4079800 -137.815 1.47361 -54.6975 1.47376 -289.316 -235.789 -54.6973 -235.788 -112.823 GPRESSURE: 4079800 -102.757 35.4537 -85.3948 -141.576 -220.181 -144.004 -98.9519 -328.463 -102.374 PRESSAVG: 4079800 25.1607 44.4045 -24.7188 44.4045 24.658 -54.9444 -24.7189 -54.9444 10.7979 GPRESSAVG: 4079800 23.7048 46.1079 -23.43 41.4973 25.3239 -54.5304 -25.7447 -53.6807 11.0973 TIMING: 4079800 CPU: 12901.1, 0.00315888/step Wall: 12901.1, 0.00315888/step, 0.807444 hours remaining, 237.843750 MB of memory in use. ENERGY: 4079800 4002.5472 20303.3218 14408.8960 242.9353 -203461.7008 2897.3942 0.0000 0.0000 51985.4345 -109621.1718 298.7610 -161606.6063 -109259.4098 298.6742 -179.9845 -141.7705 763774.2979 20.2056 20.0420 PRESSURE: 4080000 111.518 7.50386 220.779 7.50339 -23.6555 44.4991 220.779 44.5001 -162.269 GPRESSURE: 4080000 121.79 -31.5776 209.607 -0.595375 27.8984 34.2856 165.429 -85.3145 -127.64 PRESSAVG: 4080000 -41.372 -20.8629 25.8499 -20.8629 12.0651 -17.3828 25.8499 -17.3829 -10.6359 GPRESSAVG: 4080000 -40.7325 -22.5742 25.83 -20.3349 11.7084 -17.9146 24.9632 -19.8761 -10.8658 TIMING: 4080000 CPU: 12901.8, 0.00315549/step Wall: 12901.8, 0.00315549/step, 0.806404 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4080000 3914.2088 20480.0937 14418.5494 244.1296 -203273.1634 2667.9278 0.0000 0.0000 51983.8356 -109564.4185 298.7518 -161548.2541 -109192.8175 298.8028 -24.8022 7.3496 762407.9160 -13.3143 -13.2966 PRESSURE: 4080200 -58.9957 -178.222 -55.0811 -178.223 -180.207 312.174 -55.0818 312.174 62.9525 GPRESSURE: 4080200 -95.7324 -84.2146 -51.3911 -96.0728 -173.811 227.51 86.5354 143.896 169.346 PRESSAVG: 4080200 35.0064 -37.6964 -50.8443 -37.6964 4.63851 -0.991896 -50.8443 -0.991795 34.3745 GPRESSAVG: 4080200 34.4703 -37.6211 -52.5453 -36.0662 5.12999 -1.42109 -47.7474 0.36136 34.6106 TIMING: 4080200 CPU: 12902.4, 0.00314996/step Wall: 12902.4, 0.00314996/step, 0.804815 hours remaining, 237.843750 MB of memory in use. ENERGY: 4080200 4039.7621 20361.8663 14361.8518 244.2480 -203504.9270 2715.4666 0.0000 0.0000 52049.9428 -109731.7895 299.1317 -161781.7323 -109371.5548 298.7931 -58.7499 -33.3993 761196.0029 24.6731 24.7370 LDB: ============= START OF LOAD BALANCING ============== 12914.8 LDB: ============== END OF LOAD BALANCING =============== 12914.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12914.8 LDB: ============= START OF LOAD BALANCING ============== 12915.1 LDB: Largest compute 7068 load 0.033408 is 17.0% of average load 0.196023 LDB: Average compute 0.004400 is 2.2% of average load 0.196023 LDB: TIME 12915.1 LOAD: AVG 0.196023 MAX 0.217801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 12915.1 LOAD: AVG 0.196023 MAX 0.217801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 12915.1 LOAD: AVG 0.196023 MAX 0.217801 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 12915.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12915.1 PRESSURE: 4080400 75.8815 -106.878 242.474 -106.878 -80.3677 -23.7901 242.474 -23.7907 -16.3836 GPRESSURE: 4080400 44.7953 -112.235 267.911 -169.724 96.6107 -116.521 235.647 -13.6875 -82.5719 PRESSAVG: 4080400 48.387 -58.029 -12.4533 -58.0291 6.99002 -15.2336 -12.4533 -15.2336 2.91177 GPRESSAVG: 4080400 48.9082 -56.2344 -12.0186 -59.9063 6.35144 -12.6456 -12.0865 -15.3312 3.0315 TIMING: 4080400 CPU: 12903.1, 0.00322359/step Wall: 12903.1, 0.00322359/step, 0.823448 hours remaining, 238.101562 MB of memory in use. ENERGY: 4080400 3992.6799 20401.0614 14266.6131 284.2933 -203148.9626 2526.0100 0.0000 0.0000 51877.8383 -109800.4664 298.1427 -161678.3047 -109438.1960 298.8263 -6.9566 19.6114 762849.7713 19.4296 19.4304 PRESSURE: 4080600 -253.154 126.586 180.523 126.586 -353.8 -156.636 180.524 -156.637 -559.094 GPRESSURE: 4080600 -166.331 203.364 195.39 71.9984 -321.614 -243.42 145.819 -228.265 -596.523 PRESSAVG: 4080600 -11.618 -10.7459 25.8506 -10.7459 33.3961 -22.1405 25.8505 -22.1406 5.61373 GPRESSAVG: 4080600 -11.8054 -11.9097 26.5186 -9.63016 33.9787 -22.2554 23.2893 -22.5031 5.19782 TIMING: 4080600 CPU: 12903.7, 0.00314115/step Wall: 12903.7, 0.00314115/step, 0.802214 hours remaining, 238.101562 MB of memory in use. ENERGY: 4080600 3918.2700 20411.3107 14252.7970 262.2081 -202980.8395 2576.5544 0.0000 0.0000 51801.0795 -109758.6197 297.7015 -161559.6992 -109397.2352 298.3014 -388.6825 -361.4897 764087.8508 9.1306 9.1237 PRESSURE: 4080800 65.9507 259.171 -66.1929 259.172 -32.6971 -134.464 -66.1929 -134.464 -170.423 GPRESSURE: 4080800 55.9376 76.3349 -82.5815 193.216 -76.1521 -99.1318 -122.775 -131.515 -14.4226 PRESSAVG: 4080800 31.7 -23.215 -9.09149 -23.215 -31.4311 -61.2916 -9.09148 -61.2917 -6.12788 GPRESSAVG: 4080800 32.4037 -23.7984 -8.70757 -21.096 -32.1261 -63.8272 -8.57097 -60.5431 -6.02789 TIMING: 4080800 CPU: 12904.3, 0.00315723/step Wall: 12904.3, 0.00315723/step, 0.806145 hours remaining, 238.101562 MB of memory in use. ENERGY: 4080800 4035.1727 20325.3201 14290.9215 227.6062 -203214.5262 2567.0834 0.0000 0.0000 52088.1160 -109680.3064 299.3511 -161768.4224 -109322.3487 298.5966 -45.7233 -11.5457 762970.0941 -1.9530 -1.9168 PRESSURE: 4081000 -119.633 -148.85 -161.776 -148.85 -353.564 48.3585 -161.776 48.3581 337.328 GPRESSURE: 4081000 -142.874 -175.395 -237.691 -74.7611 -258.093 77.766 -62.2278 108.887 347.161 PRESSAVG: 4081000 35.0005 -24.641 5.73035 -24.641 13.2064 -43.1696 5.7304 -43.1696 39.2711 GPRESSAVG: 4081000 33.9514 -24.7577 6.23509 -25.5156 13.7863 -42.0009 4.98651 -44.4152 39.5506 TIMING: 4081000 CPU: 12904.9, 0.00315943/step Wall: 12904.9, 0.00315943/step, 0.806531 hours remaining, 238.101562 MB of memory in use. ENERGY: 4081000 4017.8965 20508.1103 14341.6231 225.5447 -203593.1634 2784.6535 0.0000 0.0000 51999.1096 -109716.2257 298.8396 -161715.3353 -109359.0535 299.0232 -45.2893 -17.9354 761837.0821 29.1593 29.0961 PRESSURE: 4081200 162.961 -140.698 63.4759 -140.698 -34.3303 332.312 63.4765 332.312 17.1012 GPRESSURE: 4081200 173.344 -71.0312 133.378 -138.07 11.7832 306.627 135.327 146.144 35.1445 PRESSAVG: 4081200 -19.7174 -29.2485 7.65156 -29.2485 -6.71646 -39.2231 7.65155 -39.2231 -3.39737 GPRESSAVG: 4081200 -19.187 -28.243 6.21263 -31.6418 -6.48965 -37.8474 8.70898 -40.6108 -4.37789 TIMING: 4081200 CPU: 12905.6, 0.00316597/step Wall: 12905.6, 0.00316597/step, 0.808026 hours remaining, 238.101562 MB of memory in use. ENERGY: 4081200 3937.9488 20599.0457 14362.4886 234.5393 -203260.0329 2632.4838 0.0000 0.0000 51882.7970 -109610.7298 298.1711 -161493.5268 -109248.1544 299.1770 48.5774 73.4238 760326.1891 -9.9437 -10.0182 PRESSURE: 4081400 -43.3113 166.451 60.664 166.451 429.045 121.602 60.6644 121.602 191.232 GPRESSURE: 4081400 -18.9382 91.8192 167.519 140.848 438.181 58.4413 -22.4225 106.506 238.65 PRESSAVG: 4081400 -0.737486 29.3539 -3.90477 29.3539 -36.7549 -6.15417 -3.90473 -6.1542 -3.91881 GPRESSAVG: 4081400 -0.438408 27.1418 -2.35213 30.2102 -37.2059 -8.6722 -5.07966 -4.35454 -3.80088 TIMING: 4081400 CPU: 12906.2, 0.0031482/step Wall: 12906.2, 0.0031482/step, 0.803315 hours remaining, 238.101562 MB of memory in use. ENERGY: 4081400 3951.0639 20455.1568 14355.7529 247.6863 -203544.6540 2913.3900 0.0000 0.0000 52025.6918 -109595.9123 298.9924 -161621.6041 -109229.4152 298.8656 192.3219 219.2974 762802.3466 -13.8037 -13.8151 PRESSURE: 4081600 566.962 -75.4535 -35.3783 -75.4535 255.53 147.769 -35.3786 147.769 126.272 GPRESSURE: 4081600 567.447 125.461 20.4062 82.2753 364.824 100.242 -2.60967 252.055 101.065 PRESSAVG: 4081600 37.6817 50.6237 -13.5707 50.6237 1.11018 6.54788 -13.5707 6.54788 -4.04412 GPRESSAVG: 4081600 37.6315 51.9593 -13.8161 52.1224 0.22561 5.25823 -12.4215 7.84863 -3.98168 TIMING: 4081600 CPU: 12906.8, 0.00316472/step Wall: 12906.8, 0.00316472/step, 0.807356 hours remaining, 238.101562 MB of memory in use. ENERGY: 4081600 3990.8872 20413.4735 14365.5265 248.6545 -203101.4474 2398.8670 0.0000 0.0000 52122.1252 -109561.9135 299.5466 -161684.0388 -109207.3619 299.1815 316.2545 344.4452 759519.8203 11.5826 11.2918 PRESSURE: 4081800 -288.844 43.7587 -46.9204 43.7583 -163.002 2.2695 -46.9202 2.26947 -243.965 GPRESSURE: 4081800 -219.742 38.9269 -89.019 -16.7692 -107.996 -24.677 25.9302 -42.3987 -268.271 PRESSAVG: 4081800 -8.50918 0.695364 -8.50033 0.695409 38.4824 -20.4931 -8.50037 -20.4931 -3.28051 GPRESSAVG: 4081800 -9.54827 0.919881 -9.10476 0.701486 39.0366 -18.3983 -8.80331 -18.9424 -2.89602 TIMING: 4081800 CPU: 12907.5, 0.00320485/step Wall: 12907.5, 0.00320485/step, 0.817415 hours remaining, 238.101562 MB of memory in use. ENERGY: 4081800 3957.7083 20582.8139 14340.8444 236.9950 -202721.9401 2082.3887 0.0000 0.0000 51933.1530 -109588.0367 298.4605 -161521.1897 -109218.0357 298.9034 -231.9370 -198.6698 762155.0447 8.8976 8.8641 PRESSURE: 4082000 -108.796 -13.4457 -145.89 -13.4462 -232.538 -80.0787 -145.889 -80.0784 -10.676 GPRESSURE: 4082000 -0.896702 -95.6577 -214.29 -127.315 -332.484 -135.15 -200.487 -168.861 47.2523 PRESSAVG: 4082000 15.9747 -48.0249 21.0306 -48.0249 -28.4529 15.0272 21.0305 15.0273 19.4733 GPRESSAVG: 4082000 16.5122 -47.6738 21.5126 -50.1196 -29.0719 14.9169 21.9024 13.2738 18.9093 TIMING: 4082000 CPU: 12908.1, 0.00316783/step Wall: 12908.1, 0.00316783/step, 0.807797 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4082000 3986.2977 20616.4716 14367.2710 229.6657 -203133.4843 2552.1607 0.0000 0.0000 51836.1462 -109545.4714 297.9030 -161381.6176 -109186.4238 299.0118 -117.3368 -95.3760 763453.5027 2.3317 2.1166 PRESSURE: 4082200 45.4057 60.2814 -51.9582 60.281 -4.16632 219.391 -51.9575 219.391 -165.971 GPRESSURE: 4082200 89.5261 94.1257 65.9237 143.511 80.8357 200.895 -47.5617 121.573 -215.932 PRESSAVG: 4082200 4.66032 4.37697 9.57197 4.37697 28.8595 -3.14352 9.57202 -3.14351 -4.20572 GPRESSAVG: 4082200 4.88957 4.80615 9.52217 5.78266 28.733 -3.2415 8.98568 -3.84877 -4.28371 TIMING: 4082200 CPU: 12908.7, 0.00315611/step Wall: 12908.7, 0.00315611/step, 0.804633 hours remaining, 238.101562 MB of memory in use. ENERGY: 4082200 4002.3480 20442.3860 14341.8862 243.1059 -203257.8639 2448.1444 0.0000 0.0000 52111.4326 -109668.5608 299.4851 -161779.9934 -109301.0086 298.6546 -41.5774 -15.1902 760782.1468 9.7714 9.7796 PRESSURE: 4082400 -248.973 -71.6322 -127.313 -71.6318 50.1886 104.256 -127.313 104.256 -465.497 GPRESSURE: 4082400 -206.028 -58.1866 -140.713 -139.68 -0.780018 118.626 -154.687 95.0846 -364.233 PRESSAVG: 4082400 -31.2504 -6.13662 -44.9424 -6.13668 2.54526 26.2509 -44.9424 26.2508 -6.90801 GPRESSAVG: 4082400 -31.0031 -7.25162 -47.3877 -5.46181 1.57071 26.5286 -42.2005 27.736 -6.72294 TIMING: 4082400 CPU: 12909.4, 0.003166/step Wall: 12909.4, 0.003166/step, 0.806978 hours remaining, 238.101562 MB of memory in use. ENERGY: 4082400 4026.1785 20284.7415 14332.7144 240.9756 -203031.3931 2249.9775 0.0000 0.0000 51870.1851 -110026.6205 298.0987 -161896.8056 -109668.0911 298.4631 -221.4270 -190.3472 763477.2714 -11.8710 -12.0518 PRESSURE: 4082600 -72.6612 -68.9062 -208.162 -68.9067 -238.891 -39.2471 -208.162 -39.2473 92.4513 GPRESSURE: 4082600 63.6682 -62.147 -195.981 -62.483 -182.312 -5.63304 -128.129 -110.649 -23.3945 PRESSAVG: 4082600 7.87905 -38.2854 24.1134 -38.2855 6.13914 -4.398 24.1134 -4.39803 16.33 GPRESSAVG: 4082600 8.09782 -36.8958 24.8495 -40.2506 6.43942 -3.28898 20.7055 -5.67618 16.1235 TIMING: 4082600 CPU: 12910, 0.00317313/step Wall: 12910, 0.00317313/step, 0.808619 hours remaining, 238.101562 MB of memory in use. ENERGY: 4082600 3982.7893 20700.6899 14404.5937 249.1840 -203401.6042 2448.8567 0.0000 0.0000 51616.4826 -109999.0079 296.6406 -161615.4906 -109650.5596 298.4662 -73.0336 -47.3461 760958.5857 10.1161 10.2203 PRESSURE: 4082800 -281.39 142.314 -47.6258 142.315 189.286 137.156 -47.6257 137.156 -301.597 GPRESSURE: 4082800 -153.736 63.204 -31.6729 78.3718 149.915 225.992 37.0575 -4.50551 -285.939 PRESSAVG: 4082800 76.5309 -55.5286 -20.7872 -55.5287 -65.0585 14.0188 -20.7872 14.0188 11.5307 GPRESSAVG: 4082800 79.1236 -58.241 -20.2724 -54.3581 -66.3968 13.599 -21.0091 14.6108 10.3424 TIMING: 4082800 CPU: 12910.6, 0.00316834/step Wall: 12910.6, 0.00316834/step, 0.807221 hours remaining, 238.101562 MB of memory in use. ENERGY: 4082800 3968.0188 20323.8711 14335.9761 227.5209 -203324.2206 2533.6012 0.0000 0.0000 51982.4002 -109952.8323 298.7436 -161935.2324 -109579.2727 298.4154 -131.2337 -96.5863 761215.8065 7.6677 7.6897 PRESSURE: 4083000 -158.857 -282.803 192.913 -282.803 35.4635 13.7031 192.913 13.7036 153.81 GPRESSURE: 4083000 -197.649 -302.309 187.573 -264.816 151.601 -11.3694 128.833 19.0679 145.591 PRESSAVG: 4083000 11.0714 -14.3329 36.1662 -14.3329 -3.59504 15.5476 36.1661 15.5476 -22.5853 GPRESSAVG: 4083000 7.10242 -12.0299 35.1988 -14.8826 -1.95666 14.5573 37.9926 15.5895 -20.9172 TIMING: 4083000 CPU: 12911.3, 0.00317723/step Wall: 12911.3, 0.00317723/step, 0.809311 hours remaining, 238.101562 MB of memory in use. ENERGY: 4083000 3964.6422 20407.6879 14301.7746 279.3047 -203401.1317 2622.1945 0.0000 0.0000 51875.9007 -109949.6271 298.1315 -161825.5277 -109592.7987 297.8610 10.1389 33.1811 761621.0451 -5.0363 -5.2571 PRESSURE: 4083200 -145.083 164.642 -24.3405 164.642 -170.638 171.473 -24.3409 171.474 -590.108 GPRESSURE: 4083200 -32.6468 249.051 -73.7327 97.7054 -255.908 233.635 -123.42 58.2043 -529.289 PRESSAVG: 4083200 26.6763 -9.78529 -17.534 -9.78533 -0.116874 -20.843 -17.534 -20.843 -4.77284 GPRESSAVG: 4083200 27.3893 -10.0934 -16.9937 -9.50197 -0.125771 -18.1778 -20.0509 -21.7034 -5.23307 TIMING: 4083200 CPU: 12911.9, 0.00315619/step Wall: 12911.9, 0.00315619/step, 0.803776 hours remaining, 238.101562 MB of memory in use. ENERGY: 4083200 4034.2508 20451.6556 14339.6800 267.6532 -202929.4948 2340.5822 0.0000 0.0000 51814.1205 -109681.5523 297.7765 -161495.6728 -109320.8187 298.6529 -301.9427 -272.6147 763187.6613 7.2622 7.3435 PRESSURE: 4083400 -123.592 -147.348 25.5233 -147.348 103.585 -132.6 25.5225 -132.599 188.106 GPRESSURE: 4083400 -104.995 -133.184 -28.2559 -237.983 100.458 -106.375 -46.8241 -53.0816 232.731 PRESSAVG: 4083400 43.7587 -60.6155 26.1747 -60.6155 -49.7414 -45.9323 26.1747 -45.9323 4.85312 GPRESSAVG: 4083400 44.3245 -60.6348 26.2668 -59.2417 -50.4173 -46.7003 27.4255 -44.8558 4.88287 TIMING: 4083400 CPU: 12912.5, 0.00318487/step Wall: 12912.5, 0.00318487/step, 0.810903 hours remaining, 238.101562 MB of memory in use. ENERGY: 4083400 3894.4231 20522.3003 14363.1273 246.8289 -203152.8763 2448.7210 0.0000 0.0000 51922.0066 -109755.4691 298.3965 -161677.4757 -109397.4513 299.0043 56.0330 76.0647 760781.2301 -0.3765 -0.4033 PRESSURE: 4083600 -234.31 -209.693 -194.355 -209.693 -103.194 271.39 -194.355 271.391 -506.321 GPRESSURE: 4083600 -188.235 -121.47 -200.937 -33.2402 -79.0249 230.78 -149.48 179.367 -501.21 PRESSAVG: 4083600 24.0822 -33.62 2.4149 -33.62 -8.43741 -0.562944 2.4149 -0.562847 -1.66389 GPRESSAVG: 4083600 23.5578 -35.1981 2.23811 -34.0874 -7.96686 -1.09933 2.96695 -1.68588 -2.06243 TIMING: 4083600 CPU: 12913.2, 0.00317329/step Wall: 12913.2, 0.00317329/step, 0.807777 hours remaining, 238.101562 MB of memory in use. ENERGY: 4083600 4000.4878 20430.5299 14370.2997 251.0813 -202971.2066 2397.6814 0.0000 0.0000 51996.8514 -109524.2751 298.8266 -161521.1265 -109177.3463 299.3202 -281.2751 -256.1568 762113.2530 4.6603 4.5095 PRESSURE: 4083800 -187.917 102.889 212.433 102.889 270.362 127.76 212.432 127.759 177.745 GPRESSURE: 4083800 -211.951 111.665 263.164 9.67223 365.617 242.331 178.14 196.779 192.018 PRESSAVG: 4083800 -33.169 -36.7222 -12.6399 -36.7222 26.9567 -25.7744 -12.6399 -25.7744 -11.3335 GPRESSAVG: 4083800 -33.5957 -35.718 -14.4226 -39.1606 26.4939 -25.8399 -11.4653 -25.9132 -10.7431 TIMING: 4083800 CPU: 12913.8, 0.00318636/step Wall: 12913.8, 0.00318636/step, 0.810929 hours remaining, 238.101562 MB of memory in use. ENERGY: 4083800 3962.3784 20556.1820 14292.6393 265.5377 -203467.1051 2551.9435 0.0000 0.0000 52214.1299 -109624.2943 300.0753 -161838.4242 -109262.3782 299.6206 86.7299 115.2278 759161.9853 -5.8486 -5.9483 PRESSURE: 4084000 -417.184 -3.61977 43.6592 -3.61945 279.62 -91.3195 43.6607 -91.3207 -383.578 GPRESSURE: 4084000 -346.35 -147.447 122.274 65.5941 254.422 -67.9181 -3.91507 -86.1924 -347.067 PRESSAVG: 4084000 24.0882 -2.01026 -35.7645 -2.01022 -8.23717 7.01688 -35.7645 7.01696 3.68326 GPRESSAVG: 4084000 24.0463 -0.435648 -34.723 -0.563439 -8.74273 5.80593 -36.0461 8.85892 4.44918 TIMING: 4084000 CPU: 12914.5, 0.00319086/step Wall: 12914.5, 0.00319085/step, 0.811895 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4084000 3980.6901 20402.5683 14479.7394 282.5625 -203155.5681 2472.0862 0.0000 0.0000 52017.6142 -109520.3076 298.9459 -161537.9218 -109154.1340 299.7097 -173.7142 -146.3315 761350.6373 6.5114 6.5843 PRESSURE: 4084200 303.518 12.3677 6.44705 12.3674 -46.4199 -57.1398 6.44688 -57.1406 -110.976 GPRESSURE: 4084200 251.52 41.5984 -33.4861 -40.7809 -0.53645 -33.701 24.2107 -41.8304 -11.4136 PRESSAVG: 4084200 15.9416 -27.5069 31.0398 -27.5068 -10.9708 5.64276 31.0398 5.64273 0.0780608 GPRESSAVG: 4084200 16.1763 -29.1545 31.0941 -27.3916 -10.7075 6.80691 29.1246 6.21113 -0.364765 TIMING: 4084200 CPU: 12915.1, 0.00317149/step Wall: 12915.1, 0.00317149/step, 0.806792 hours remaining, 238.101562 MB of memory in use. ENERGY: 4084200 3941.1073 20635.7681 14344.5685 231.9108 -203255.6844 2704.4154 0.0000 0.0000 52039.2665 -109358.6478 299.0704 -161397.9143 -109002.2012 298.9853 48.7075 79.8565 763695.0330 1.6830 1.7013 LDB: ============= START OF LOAD BALANCING ============== 12927.5 LDB: ============== END OF LOAD BALANCING =============== 12927.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12927.5 LDB: ============= START OF LOAD BALANCING ============== 12927.8 LDB: Largest compute 7068 load 0.032446 is 16.6% of average load 0.195992 LDB: Average compute 0.004394 is 2.2% of average load 0.195992 LDB: TIME 12927.8 LOAD: AVG 0.195992 MAX 0.218074 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 12927.8 LOAD: AVG 0.195992 MAX 0.218074 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.359 MB LDB: TIME 12927.8 LOAD: AVG 0.195992 MAX 0.218074 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.359 MB LDB: ============== END OF LOAD BALANCING =============== 12927.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12927.8 PRESSURE: 4084400 -31.1559 29.4029 137.768 29.4025 -192.712 -10.6413 137.768 -10.6414 -15.3228 GPRESSURE: 4084400 25.1006 -52.3219 25.2192 26.8853 -153.174 37.6528 99.6772 -62.633 -25.4822 PRESSAVG: 4084400 30.601 -21.6677 -8.61137 -21.6677 -57.6849 1.07862 -8.61136 1.07863 7.48793 GPRESSAVG: 4084400 29.7492 -21.4586 -9.0284 -21.8165 -56.7052 0.427018 -7.63498 -1.74961 6.94301 TIMING: 4084400 CPU: 12915.7, 0.00327228/step Wall: 12915.7, 0.00327228/step, 0.83225 hours remaining, 238.101562 MB of memory in use. ENERGY: 4084400 4064.6373 20450.4278 14422.3183 244.1303 -202977.8781 2552.7960 0.0000 0.0000 51703.5076 -109540.0608 297.1408 -161243.5684 -109182.4510 299.5027 -79.7302 -51.1852 763185.9715 -6.5320 -6.6710 PRESSURE: 4084600 -72.3697 76.1208 253.457 76.121 188.738 -31.0892 253.458 -31.0894 -41.8013 GPRESSURE: 4084600 -72.9215 133.8 214.262 -1.98735 186.539 39.1457 332.693 -3.6871 59.2723 PRESSAVG: 4084600 -15.0125 -28.6024 -13.2194 -28.6024 16.0961 1.29024 -13.2194 1.29021 -2.71836 GPRESSAVG: 4084600 -13.6486 -29.0194 -12.4392 -29.5852 15.5018 2.09704 -13.5033 2.93514 -2.76422 TIMING: 4084600 CPU: 12916.4, 0.00320007/step Wall: 12916.4, 0.00320007/step, 0.813706 hours remaining, 238.101562 MB of memory in use. ENERGY: 4084600 4034.3693 20425.9185 14346.4645 233.1843 -203188.6407 2691.5570 0.0000 0.0000 51924.9346 -109532.2125 298.4133 -161457.1471 -109172.4635 299.1735 24.8557 57.6300 762926.6829 -0.5449 -0.3037 PRESSURE: 4084800 121.747 -109.788 -77.3724 -109.789 164.158 -73.7543 -77.3717 -73.7556 602.446 GPRESSURE: 4084800 99.2474 -36.0273 -64.4149 -155.557 209.475 -80.5897 -15.3303 -43.6333 666.376 PRESSAVG: 4084800 -27.0179 3.35211 -1.27345 3.35212 -31.5951 -30.4887 -1.27347 -30.4887 -0.452405 GPRESSAVG: 4084800 -28.5835 2.47683 -1.01411 4.88868 -30.8791 -31.3066 -3.63844 -28.9743 -0.203729 TIMING: 4084800 CPU: 12917, 0.00315951/step Wall: 12917, 0.00315951/step, 0.803217 hours remaining, 238.101562 MB of memory in use. ENERGY: 4084800 3945.9909 20596.3652 14387.0424 266.9775 -203132.8416 2648.8197 0.0000 0.0000 51934.5113 -109353.1345 298.4684 -161287.6459 -108989.7385 299.0076 296.1171 325.0329 763676.6503 -19.6885 -19.8888 PRESSURE: 4085000 -130.049 122.942 -161.623 122.942 -259.35 -205.034 -161.624 -205.035 187.775 GPRESSURE: 4085000 -95.0986 133.42 -68.9936 146.855 -181.47 -153.865 -186.189 -125.166 149.367 PRESSAVG: 4085000 44.7017 -53.6113 -48.5079 -53.6113 12.7268 -38.6021 -48.5079 -38.6021 1.32147 GPRESSAVG: 4085000 45.7677 -53.3594 -50.337 -56.0673 12.5944 -37.4231 -46.1491 -39.612 1.30586 TIMING: 4085000 CPU: 12917.7, 0.00320495/step Wall: 12917.7, 0.00320495/step, 0.81459 hours remaining, 238.101562 MB of memory in use. ENERGY: 4085000 3950.7204 20530.6984 14363.5643 238.9497 -203198.2319 2708.4993 0.0000 0.0000 52042.1550 -109363.6448 299.0870 -161405.7998 -109015.1401 299.4466 -67.2081 -42.4006 763321.8504 19.5833 19.8893 PRESSURE: 4085200 -363.212 1.01226 53.2777 1.01279 -116.191 -258.574 53.2785 -258.573 244.04 GPRESSURE: 4085200 -324.655 -18.7657 25.2637 -50.8707 -94.9724 -162.184 256.024 -302.742 279.733 PRESSAVG: 4085200 -6.27056 -66.9342 15.2592 -66.9342 -8.66368 -25.6906 15.2593 -25.6906 18.7804 GPRESSAVG: 4085200 -5.57168 -64.8917 14.5141 -67.7468 -9.37332 -26.659 18.0111 -26.584 18.8931 TIMING: 4085200 CPU: 12918.3, 0.00320298/step Wall: 12918.3, 0.00320298/step, 0.813914 hours remaining, 238.101562 MB of memory in use. ENERGY: 4085200 3973.7278 20509.9863 14323.3289 241.1058 -203179.5101 2561.1759 0.0000 0.0000 52136.0003 -109434.1851 299.6263 -161570.1854 -109071.1515 298.9640 -78.4546 -46.6315 761750.6219 1.2821 1.3160 PRESSURE: 4085400 210.48 -45.9864 144.661 -45.9867 287.16 -20.2388 144.659 -20.2386 384.993 GPRESSURE: 4085400 238.844 -95.6607 131.729 -5.50756 262.567 -30.1209 48.6764 10.3049 475.718 PRESSAVG: 4085400 -11.1669 -6.1862 -39.8445 -6.18617 49.2545 15.8241 -39.8445 15.8241 19.9345 GPRESSAVG: 4085400 -11.3948 -7.00642 -39.3013 -5.72711 50.0366 17.6743 -41.5635 15.3829 18.8531 TIMING: 4085400 CPU: 12918.9, 0.00319321/step Wall: 12918.9, 0.00319321/step, 0.811253 hours remaining, 238.101562 MB of memory in use. ENERGY: 4085400 3947.1442 20509.8673 14402.3257 241.1524 -203742.2331 3005.3650 0.0000 0.0000 52142.4772 -109493.9012 299.6635 -161636.3784 -109133.1449 299.2563 294.2112 325.7097 760702.6088 19.3407 19.1650 PRESSURE: 4085600 -267.314 6.15666 114.936 6.15645 -145.25 40.7103 114.936 40.7101 -575.556 GPRESSURE: 4085600 -224.489 -79.7606 36.1405 40.0503 -190.373 158.619 83.6204 12.448 -490.885 PRESSAVG: 4085600 -11.5042 -82.5395 -55.9679 -82.5396 -0.027051 -10.658 -55.9679 -10.6579 20.5898 GPRESSAVG: 4085600 -11.9179 -84.8692 -53.8483 -81.4708 -1.06002 -11.592 -59.5215 -8.19506 21.9486 TIMING: 4085600 CPU: 12919.6, 0.00318743/step Wall: 12919.6, 0.00318743/step, 0.809608 hours remaining, 238.101562 MB of memory in use. ENERGY: 4085600 4022.4509 20634.1077 14335.5635 235.2429 -202952.3554 2405.8028 0.0000 0.0000 51963.7531 -109355.4345 298.6364 -161319.1876 -108997.0836 299.3441 -329.3733 -301.9155 762884.9946 3.0195 2.9902 PRESSURE: 4085800 -209.1 7.11731 160.346 7.11583 11.4815 81.5363 160.346 81.5364 71.1992 GPRESSURE: 4085800 -155.354 32.8033 132.949 19.9179 -22.8429 27.3188 164.391 -34.0893 149.897 PRESSAVG: 4085800 30.3601 -57.9763 -50.3398 -57.9763 -9.92134 12.2877 -50.3397 12.2877 -6.91836 GPRESSAVG: 4085800 30.9409 -55.9628 -52.6299 -59.9712 -9.51685 13.2466 -47.8141 12.3529 -8.11142 TIMING: 4085800 CPU: 12920.2, 0.00315741/step Wall: 12920.2, 0.00315741/step, 0.801808 hours remaining, 238.101562 MB of memory in use. ENERGY: 4085800 3998.7718 20421.0471 14373.3292 260.1371 -202796.2166 2254.6333 0.0000 0.0000 52077.9495 -109410.3485 299.2927 -161488.2981 -109043.0824 299.2978 -42.1398 -9.4334 761857.6148 4.5068 4.4375 PRESSURE: 4086000 77.813 -208.456 -238.867 -208.455 27.549 -234.906 -238.867 -234.906 164.337 GPRESSURE: 4086000 166.059 -135.272 -181.123 -200.084 28.9141 -263.659 -146.882 -193.593 154.223 PRESSAVG: 4086000 -10.5344 -43.8437 -20.731 -43.8436 18.1051 15.3777 -20.731 15.3777 -20.4664 GPRESSAVG: 4086000 -10.6258 -45.2702 -18.8681 -40.6683 17.0819 13.624 -18.4765 16.8764 -19.5273 TIMING: 4086000 CPU: 12920.8, 0.00318029/step Wall: 12920.8, 0.00318029/step, 0.807441 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4086000 3953.9593 20619.5634 14442.7289 254.8511 -202858.3400 2465.6798 0.0000 0.0000 52057.8738 -109063.6836 299.1773 -161121.5575 -108705.1568 300.1027 89.8996 116.3987 762061.1927 -4.2986 -4.3571 PRESSURE: 4086200 130.9 -3.49812 -200.707 -3.49783 35.6333 -5.49926 -200.707 -5.49875 67.5884 GPRESSURE: 4086200 216.315 -106.839 -65.9774 23.4167 8.75536 -36.4079 -199.605 12.0238 89.3244 PRESSAVG: 4086200 49.9208 -43.6011 7.06827 -43.6012 -39.9116 36.1111 7.06826 36.1111 15.082 GPRESSAVG: 4086200 48.7643 -42.7299 6.42509 -46.0723 -38.8487 36.8963 6.60722 33.0595 14.7628 TIMING: 4086200 CPU: 12921.5, 0.00317976/step Wall: 12921.5, 0.00317976/step, 0.807129 hours remaining, 238.101562 MB of memory in use. ENERGY: 4086200 3996.9300 20631.9857 14454.9994 253.6139 -203168.3265 2535.5067 0.0000 0.0000 52109.7944 -109185.4964 299.4757 -161295.2908 -108826.4842 300.3329 78.0407 104.7983 763787.1980 8.3637 8.2261 PRESSURE: 4086400 -94.0675 -296.445 -18.1261 -296.445 -303.972 44.3009 -18.1256 44.3013 -254.138 GPRESSURE: 4086400 -19.3139 -250.705 -89.172 -287.833 -277.265 158.987 -70.6016 -14.0702 -278.369 PRESSAVG: 4086400 62.7055 -77.8561 32.4385 -77.8562 -86.9682 -18.2114 32.4386 -18.2114 2.56397 GPRESSAVG: 4086400 62.8386 -79.1255 30.9485 -77.0956 -88.1865 -16.473 30.0735 -18.7936 3.02092 TIMING: 4086400 CPU: 12922.1, 0.00318325/step Wall: 12922.1, 0.00318325/step, 0.807838 hours remaining, 238.101562 MB of memory in use. ENERGY: 4086400 3927.3827 20462.1306 14426.9195 239.9760 -202840.6081 2421.6928 0.0000 0.0000 52256.8626 -109105.6440 300.3209 -161362.5065 -108739.0926 300.0674 -217.3926 -191.6494 763859.2174 -7.2329 -7.4423 PRESSURE: 4086600 -207.587 -24.2335 75.3806 -24.2333 -26.0762 149.282 75.381 149.281 -235.624 GPRESSURE: 4086600 -149.618 68.2534 153.449 -87.8151 -55.1083 183.958 149.249 25.3464 -183.248 PRESSAVG: 4086600 8.34307 -39.574 -3.41611 -39.574 8.58289 37.4301 -3.41607 37.4301 26.5045 GPRESSAVG: 4086600 9.56477 -35.896 -2.65221 -38.9884 7.79564 35.5282 -2.12638 39.6083 25.7227 TIMING: 4086600 CPU: 12922.7, 0.00315446/step Wall: 12922.7, 0.00315445/step, 0.800355 hours remaining, 238.101562 MB of memory in use. ENERGY: 4086600 4022.5518 20616.6481 14390.5617 243.3080 -202995.4916 2412.5305 0.0000 0.0000 52169.9762 -109139.9154 299.8216 -161309.8916 -108785.3454 300.2104 -156.4291 -129.3248 763886.7237 14.4768 14.3610 PRESSURE: 4086800 30.8305 99.2861 -21.1632 99.2861 -289.852 -219.87 -21.1623 -219.87 105.728 GPRESSURE: 4086800 -81.4721 18.7459 -69.9674 106.972 -43.7209 -322.441 -7.38333 -211.681 72.9844 PRESSAVG: 4086800 -15.984 -36.4222 -2.29454 -36.4223 6.67017 2.33089 -2.29455 2.3309 10.9746 GPRESSAVG: 4086800 -16.7648 -41.0765 -1.92636 -37.4618 7.06842 4.35806 -2.90445 2.56328 11.1291 TIMING: 4086800 CPU: 12923.4, 0.00316806/step Wall: 12923.4, 0.00316806/step, 0.803632 hours remaining, 238.101562 MB of memory in use. ENERGY: 4086800 4066.9664 20338.5005 14382.5223 231.7456 -203082.8662 2578.1890 0.0000 0.0000 52272.1886 -109212.7537 300.4090 -161484.9424 -108840.7192 300.3024 -51.0979 -17.4029 761042.5471 0.5536 0.4776 PRESSURE: 4087000 31.2315 11.2824 37.2739 11.283 91.5378 -286.325 37.2737 -286.326 161.482 GPRESSURE: 4087000 52.4941 3.14148 38.967 -96.2294 160.419 -200.375 -2.26549 -271.193 145.806 PRESSAVG: 4087000 -15.1818 -9.61916 -30.4256 -9.61911 -14.4187 10.2107 -30.4256 10.2108 6.8091 GPRESSAVG: 4087000 -15.8108 -8.11596 -31.8172 -11.1934 -13.8251 9.72617 -29.0963 7.63673 6.79936 TIMING: 4087000 CPU: 12924, 0.00316364/step Wall: 12924, 0.00316364/step, 0.802334 hours remaining, 238.101562 MB of memory in use. ENERGY: 4087000 4004.9028 20475.9104 14377.7032 241.8325 -203037.1079 2626.1866 0.0000 0.0000 52111.3896 -109199.1828 299.4849 -161310.5724 -108836.7008 299.7780 94.7506 119.5730 763441.8072 -7.5971 -7.6122 PRESSURE: 4087200 101.508 16.6789 -172.253 16.6786 -82.9423 305.773 -172.253 305.773 -162.544 GPRESSURE: 4087200 15.4301 -22.8595 -284.778 72.193 33.1371 343.371 -158.949 257.181 -101.113 PRESSAVG: 4087200 -24.7897 -60.4129 -39.4871 -60.413 -13.0032 -14.1809 -39.4871 -14.1809 33.4158 GPRESSAVG: 4087200 -25.7781 -58.8429 -38.4026 -60.2668 -11.5064 -16.34 -40.7807 -13.6301 33.6455 TIMING: 4087200 CPU: 12924.6, 0.00316941/step Wall: 12924.6, 0.00316941/step, 0.803621 hours remaining, 238.101562 MB of memory in use. ENERGY: 4087200 3984.6747 20519.7815 14407.6899 245.7247 -203139.0190 2649.5228 0.0000 0.0000 52242.7160 -109088.9095 300.2396 -161331.6254 -108719.5178 300.0765 -47.9928 -17.5152 763363.2188 -1.4590 -1.2130 PRESSURE: 4087400 -125.415 -93.8727 -48.2204 -93.8722 66.4446 -67.176 -48.2211 -67.1768 -142.187 GPRESSURE: 4087400 -56.9337 -9.21122 -48.2586 -279.272 96.5109 -45.321 12.6351 -83.2206 -164.633 PRESSAVG: 4087400 40.7494 -54.4093 -8.01308 -54.4093 -2.43163 -24.1935 -8.01304 -24.1935 7.92545 GPRESSAVG: 4087400 43.1881 -57.4753 -7.35952 -51.3748 -5.05944 -22.1672 -7.70186 -23.803 8.30422 TIMING: 4087400 CPU: 12925.3, 0.00318782/step Wall: 12925.3, 0.00318782/step, 0.808113 hours remaining, 238.101562 MB of memory in use. ENERGY: 4087400 4008.5499 20726.4177 14403.5499 254.8542 -203074.4530 2214.3068 0.0000 0.0000 52076.9333 -109389.8412 299.2869 -161466.7745 -109031.0828 299.9858 -67.0524 -41.6852 760958.7983 15.4144 15.4776 PRESSURE: 4087600 156.935 -123.921 0.850872 -123.922 39.5638 -93.4879 0.850824 -93.4879 -217.684 GPRESSURE: 4087600 183.603 -204.409 31.9224 16.7767 35.5614 -176.616 67.4415 -33.5194 -148.321 PRESSAVG: 4087600 78.6166 3.51201 32.6478 3.51204 -59.9441 -31.5754 32.6478 -31.5755 -3.55476 GPRESSAVG: 4087600 77.6111 4.31782 32.4601 1.96711 -59.2163 -33.0879 33.5245 -31.4228 -3.52979 TIMING: 4087600 CPU: 12925.9, 0.00321461/step Wall: 12925.9, 0.00321461/step, 0.814725 hours remaining, 238.101562 MB of memory in use. ENERGY: 4087600 4000.1372 20573.6874 14345.9434 240.5665 -203460.9844 2662.4624 0.0000 0.0000 52265.8643 -109372.3232 300.3726 -161638.1875 -109007.3040 299.8193 -7.0618 23.6142 760369.1697 5.0392 4.9550 PRESSURE: 4087800 2.36593 -206.654 250.028 -206.654 146.129 -257.004 250.029 -257.004 266.744 GPRESSURE: 4087800 87.4669 -139.454 256.935 -200.908 160.413 -291.63 164.736 -271.572 260.01 PRESSAVG: 4087800 -48.2787 -12.1001 42.0326 -12.1001 80.179 13.2457 42.0326 13.2456 -4.23134 GPRESSAVG: 4087800 -48.889 -13.3785 42.2143 -11.168 80.5122 14.3797 41.6267 12.6613 -4.30442 TIMING: 4087800 CPU: 12926.6, 0.00319575/step Wall: 12926.6, 0.00319575/step, 0.809767 hours remaining, 238.101562 MB of memory in use. ENERGY: 4087800 3920.2741 20421.3930 14410.1635 258.5665 -203432.0689 2755.2699 0.0000 0.0000 52360.5787 -109305.8232 300.9170 -161666.4019 -108933.0703 299.7949 138.4132 169.2966 761425.3011 9.2230 9.1063 PRESSURE: 4088000 -168.446 -16.5548 11.2255 -16.5546 186.69 141.872 11.2253 141.871 -351.815 GPRESSURE: 4088000 -169.757 -78.9918 -76.7957 -5.23774 196.34 51.7699 -43.0541 88.4227 -286.59 PRESSAVG: 4088000 -24.1769 -45.6401 35.5472 -45.6401 3.74258 13.5297 35.5472 13.5297 8.08359 GPRESSAVG: 4088000 -23.9369 -43.9359 35.7796 -47.1804 3.04918 11.8059 34.9853 15.742 8.31119 TIMING: 4088000 CPU: 12927.2, 0.00318832/step Wall: 12927.2, 0.00318832/step, 0.807709 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4088000 3933.5402 20671.8773 14452.3428 250.0529 -202803.3737 2340.7535 0.0000 0.0000 51866.6534 -109288.1537 298.0784 -161154.8070 -108935.7239 300.3447 -111.1904 -86.6692 762368.4745 -4.1169 -4.1922 PRESSURE: 4088200 -102.139 -93.0167 154.231 -93.0157 -85.4516 94.6177 154.231 94.6185 -76.7959 GPRESSURE: 4088200 -64.4399 -162.551 36.1744 -73.5095 -14.8945 177.181 304.185 144.132 -115.471 PRESSAVG: 4088200 -23.1598 -54.3453 60.4073 -54.3453 12.3765 46.7403 60.4072 46.7402 8.72764 GPRESSAVG: 4088200 -23.1445 -52.899 60.7508 -51.7829 13.2825 46.8862 60.4551 47.6015 7.09435 TIMING: 4088200 CPU: 12927.8, 0.00319022/step Wall: 12927.8, 0.00319022/step, 0.808011 hours remaining, 238.101562 MB of memory in use. ENERGY: 4088200 4001.9883 20537.6577 14503.1266 259.3368 -203329.9092 2497.7404 0.0000 0.0000 52230.6928 -109299.3666 300.1705 -161530.0594 -108924.4662 299.9808 -88.1288 -64.9353 761600.3730 -0.6852 -0.9226 LDB: ============= START OF LOAD BALANCING ============== 12940.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12940.2 LDB: =============== DONE WITH MIGRATION ================ 12940.2 LDB: ============= START OF LOAD BALANCING ============== 12940.6 LDB: Largest compute 7078 load 0.033527 is 17.1% of average load 0.196043 LDB: Average compute 0.004398 is 2.2% of average load 0.196043 LDB: TIME 12940.6 LOAD: AVG 0.196043 MAX 0.21482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.766 MB LDB: TIME 12940.6 LOAD: AVG 0.196043 MAX 0.21482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.969 MB LDB: TIME 12940.6 LOAD: AVG 0.196043 MAX 0.21482 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.969 MB LDB: ============== END OF LOAD BALANCING =============== 12940.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12940.6 PRESSURE: 4088400 -125.329 156.838 83.4121 156.838 212.458 3.95996 83.4122 3.95976 1.26502 GPRESSURE: 4088400 -101.587 54.6324 75.8964 92.6964 191.488 -43.1014 127.422 -21.1811 89.7955 PRESSAVG: 4088400 -46.0732 11.7099 23.2078 11.7099 66.628 23.2176 23.2079 23.2176 -20.8861 GPRESSAVG: 4088400 -46.1602 8.37933 24.0286 10.8797 66.3764 24.5762 25.1061 22.168 -19.4822 TIMING: 4088400 CPU: 12928.5, 0.003234/step Wall: 12928.5, 0.00323401/step, 0.818922 hours remaining, 237.640625 MB of memory in use. ENERGY: 4088400 3953.7876 20623.5324 14364.1763 248.7131 -203569.1563 2768.6802 0.0000 0.0000 52176.6726 -109433.5940 299.8601 -161610.2666 -109079.9201 300.1566 29.4649 59.8986 762234.7304 -0.1104 0.2447 PRESSURE: 4088600 -112.343 -72.7099 -238.478 -72.7108 -0.812084 -89.3429 -238.478 -89.3427 372.968 GPRESSURE: 4088600 -57.8065 14.1618 -231.792 -233.422 89.4689 -37.3483 -197.95 -118.959 316.898 PRESSAVG: 4088600 -74.8731 -70.9106 -2.16655 -70.9105 19.9448 5.47445 -2.16657 5.47442 -17.2373 GPRESSAVG: 4088600 -75.1644 -68.8519 -3.13939 -71.9336 20.0705 5.16318 -1.96622 5.72617 -17.1674 TIMING: 4088600 CPU: 12929.1, 0.00317709/step Wall: 12929.1, 0.00317709/step, 0.804333 hours remaining, 237.843750 MB of memory in use. ENERGY: 4088600 4027.4041 20478.7823 14448.0595 246.2850 -203572.8346 2751.0429 0.0000 0.0000 52239.3345 -109381.9264 300.2202 -161621.2609 -109012.5250 299.6210 86.6044 116.1869 761232.5967 -24.0552 -24.0871 PRESSURE: 4088800 100.37 92.4973 323.469 92.4969 28.9529 61.2989 323.469 61.2981 428.604 GPRESSURE: 4088800 151.895 42.5117 363.416 10.9966 67.7442 105.81 202.766 114.083 414.43 PRESSAVG: 4088800 -25.9043 -7.39268 -30.117 -7.39268 55.6341 20.3309 -30.117 20.3309 -20.937 GPRESSAVG: 4088800 -25.652 -6.43264 -29.0366 -9.14031 56.2187 19.973 -31.5813 19.6733 -22.0868 TIMING: 4088800 CPU: 12929.8, 0.00318012/step Wall: 12929.8, 0.00318012/step, 0.804924 hours remaining, 237.843750 MB of memory in use. ENERGY: 4088800 3955.3425 20480.0223 14396.1077 264.9868 -203447.2238 2573.7888 0.0000 0.0000 52373.2430 -109403.7327 300.9897 -161776.9758 -109037.6738 299.9021 185.9755 211.3565 761549.0483 2.9309 2.8266 PRESSURE: 4089000 -56.1801 76.8438 -76.4312 76.8445 -157.622 93.6114 -76.4309 93.6107 21.8407 GPRESSURE: 4089000 -31.6159 163.193 -145.71 -15.9615 -108.564 141.055 19.0093 95.6469 49.203 PRESSAVG: 4089000 -22.7036 24.3239 -47.6355 24.3239 -0.00840384 0.968784 -47.6355 0.968711 -13.6276 GPRESSAVG: 4089000 -23.4381 25.3213 -49.9218 24.5486 -0.832401 2.12039 -47.8697 0.596095 -12.4671 TIMING: 4089000 CPU: 12930.4, 0.00318535/step Wall: 12930.4, 0.00318535/step, 0.806071 hours remaining, 237.843750 MB of memory in use. ENERGY: 4089000 3973.5703 20370.3643 14483.1478 240.3830 -203099.7992 2471.8903 0.0000 0.0000 51916.5170 -109643.9264 298.3649 -161560.4435 -109279.5930 299.6363 -63.9873 -30.3256 763169.3962 -12.1132 -12.2459 PRESSURE: 4089200 -181.007 -61.4246 -182.107 -61.4241 110.31 -182.406 -182.108 -182.406 -44.9793 GPRESSURE: 4089200 -57.8158 -89.4951 -162.954 -53.313 95.2569 -111.521 -207.881 -100.649 -61.5606 PRESSAVG: 4089200 -39.8783 -0.255937 -38.2816 -0.255972 2.98058 19.8802 -38.2815 19.8803 -16.18 GPRESSAVG: 4089200 -39.573 -0.0122218 -37.0797 0.771413 3.71888 19.2897 -36.8671 19.8187 -17.3558 TIMING: 4089200 CPU: 12931, 0.00316885/step Wall: 12931, 0.00316885/step, 0.80172 hours remaining, 237.843750 MB of memory in use. ENERGY: 4089200 4012.9473 20501.0073 14429.2614 236.7669 -203240.9365 2603.4872 0.0000 0.0000 51938.0542 -109519.4122 298.4887 -161457.4664 -109160.8231 299.2377 -38.5588 -8.0399 761170.8804 -17.6926 -17.7367 PRESSURE: 4089400 -375.877 262.462 -67.3164 262.462 -306.61 -65.6221 -67.3179 -65.6222 -669.402 GPRESSURE: 4089400 -293.943 283.577 -23.7745 208.13 -381.785 -123.238 -146.817 98.9803 -597.119 PRESSAVG: 4089400 1.10375 -18.4339 -45.6091 -18.4339 20.9859 1.11748 -45.6092 1.11741 13.801 GPRESSAVG: 4089400 1.16276 -20.9072 -45.698 -20.7029 21.0079 0.581273 -46.7012 1.84401 13.4775 TIMING: 4089400 CPU: 12931.7, 0.00315697/step Wall: 12931.7, 0.00315697/step, 0.798537 hours remaining, 237.843750 MB of memory in use. ENERGY: 4089400 4018.5526 20532.1018 14402.9081 262.4836 -202764.0828 2060.7680 0.0000 0.0000 51915.7903 -109571.4784 298.3608 -161487.2687 -109206.2862 299.0551 -450.6297 -424.2827 761517.3788 11.9636 11.8827 PRESSURE: 4089600 -8.30894 -267.479 36.269 -267.478 -203.487 92.7373 36.2685 92.7381 -8.09338 GPRESSURE: 4089600 95.3379 -245.552 60.9391 -173.873 -199.061 81.3314 78.7823 -40.4698 -2.58147 PRESSAVG: 4089600 8.38022 -18.102 18.9256 -18.102 -57.7804 47.953 18.9256 47.953 -13.8993 GPRESSAVG: 4089600 8.1276 -16.602 20.1463 -14.3117 -58.6607 47.8857 19.4379 46.3724 -12.1199 TIMING: 4089600 CPU: 12932.3, 0.003186/step Wall: 12932.3, 0.003186/step, 0.805703 hours remaining, 237.843750 MB of memory in use. ENERGY: 4089600 4008.3588 20545.4162 14405.6505 262.3029 -203208.8596 2478.7082 0.0000 0.0000 52054.8501 -109453.5729 299.1599 -161508.4230 -109101.5453 299.3264 -73.2963 -35.4350 762434.0639 -21.0998 -20.8843 PRESSURE: 4089800 54.9922 149.998 185.965 149.998 347.292 51.4798 185.964 51.48 164.848 GPRESSURE: 4089800 -15.643 247.615 173.428 190.132 441.117 29.3368 102.079 149.01 208.322 PRESSAVG: 4089800 -0.399974 -9.30452 -17.8436 -9.30448 -5.66313 35.441 -17.8437 35.441 2.11964 GPRESSAVG: 4089800 -1.49641 -9.73584 -18.9859 -9.1755 -4.62412 35.0661 -18.5604 36.4905 1.50686 TIMING: 4089800 CPU: 12932.9, 0.00318839/step Wall: 12932.9, 0.00318839/step, 0.806131 hours remaining, 237.843750 MB of memory in use. ENERGY: 4089800 4021.6053 20525.1930 14372.5531 246.8034 -203346.8504 2702.8130 0.0000 0.0000 52009.0001 -109468.8826 298.8964 -161477.8827 -109108.2526 299.1479 189.0441 211.2653 762881.0180 -1.3145 -1.5379 PRESSURE: 4090000 -241.942 -76.0738 -100.74 -76.0739 -259.599 -57.2245 -100.74 -57.2251 115.809 GPRESSURE: 4090000 -219.504 -69.9516 -124.153 22.1974 -204.977 -57.4653 -13.7756 -93.2514 106.126 PRESSAVG: 4090000 -28.6373 13.3663 -26.7546 13.3663 23.6075 -51.8197 -26.7546 -51.8197 5.02215 GPRESSAVG: 4090000 -26.9885 12.0746 -28.5162 13.76 22.3428 -50.9119 -26.8658 -52.9937 5.10398 TIMING: 4090000 CPU: 12933.6, 0.00315815/step Wall: 12933.6, 0.00315815/step, 0.798309 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4090000 4056.4471 20633.8319 14441.3368 240.3809 -203467.9133 2734.7154 0.0000 0.0000 51955.5014 -109405.6998 298.5890 -161361.2012 -109048.4326 299.7485 -128.5772 -106.1185 762420.8968 -0.0025 0.1528 PRESSURE: 4090200 41.483 110.877 -147.379 110.877 -115.805 -112.569 -147.379 -112.568 -129.798 GPRESSURE: 4090200 104.161 168.185 -73.6734 -11.9849 -48.4567 18.6353 -65.7157 -199.145 -162.481 PRESSAVG: 4090200 -12.2072 -33.0168 -7.24965 -33.0167 -4.42081 -37.9626 -7.2497 -37.9626 2.94233 GPRESSAVG: 4090200 -11.5714 -29.4898 -5.93155 -35.3847 -3.21149 -38.3348 -6.11743 -37.2949 1.26814 TIMING: 4090200 CPU: 12934.2, 0.00317375/step Wall: 12934.2, 0.00317375/step, 0.802076 hours remaining, 237.843750 MB of memory in use. ENERGY: 4090200 3911.2663 20555.3568 14499.2335 265.7925 -203421.1976 2534.1877 0.0000 0.0000 52284.6564 -109370.7044 300.4806 -161655.3607 -109005.5010 299.9038 -68.0399 -35.5924 761764.8234 -4.5619 -4.5049 PRESSURE: 4090400 181.929 69.8251 -128.312 69.8248 -6.62498 52.0332 -128.312 52.0336 647.34 GPRESSURE: 4090400 179.374 -15.4132 -138.352 -1.45615 88.1523 35.8298 -191.538 78.7873 637.073 PRESSAVG: 4090400 44.1463 2.64434 -1.61594 2.64432 -33.4595 -57.2993 -1.61603 -57.2993 0.501977 GPRESSAVG: 4090400 43.6837 -0.953049 0.28067 3.96058 -33.6011 -57.3986 -2.98085 -58.4818 0.991462 TIMING: 4090400 CPU: 12934.8, 0.00316969/step Wall: 12934.8, 0.00316969/step, 0.800874 hours remaining, 237.843750 MB of memory in use. ENERGY: 4090400 3927.1206 20544.2398 14437.3569 246.3798 -203202.5728 2329.2385 0.0000 0.0000 52309.3256 -109408.9117 300.6224 -161718.2373 -109047.7888 299.7270 274.2150 301.5331 759141.3014 3.7296 3.6914 PRESSURE: 4090600 -222.786 -34.2483 16.3475 -34.2483 -159.401 82.7835 16.3475 82.7834 37.9302 GPRESSURE: 4090600 -152.568 25.4376 -36.1785 -32.329 -148.519 -20.8188 29.2035 38.8959 26.4248 PRESSAVG: 4090600 70.5205 22.2139 -19.7073 22.2139 -58.3454 59.981 -19.7073 59.981 3.27274 GPRESSAVG: 4090600 68.8876 25.6283 -20.3291 20.4714 -57.0806 59.9862 -19.2179 61.3982 3.24645 TIMING: 4090600 CPU: 12935.5, 0.00319909/step Wall: 12935.5, 0.00319909/step, 0.808126 hours remaining, 237.843750 MB of memory in use. ENERGY: 4090600 4051.7294 20594.0075 14366.6883 251.9026 -203649.1764 2488.5395 0.0000 0.0000 52323.3797 -109572.9294 300.7032 -161896.3092 -109211.7221 299.7631 -114.7524 -91.5541 760811.3197 5.1493 5.0178 PRESSURE: 4090800 -266.784 219.288 -150.93 219.287 42.8654 118.708 -150.93 118.709 -119.562 GPRESSURE: 4090800 -204.507 99.9957 -255.761 171 118.741 155.268 -114.648 80.6742 -144.473 PRESSAVG: 4090800 -24.6114 -11.4872 14.5165 -11.4873 48.7661 27.6986 14.5165 27.6987 7.31269 GPRESSAVG: 4090800 -24.9173 -15.5947 13.8232 -10.0451 46.8587 28.1497 14.5538 27.6776 8.92473 TIMING: 4090800 CPU: 12936.1, 0.00319405/step Wall: 12936.1, 0.00319405/step, 0.806675 hours remaining, 237.843750 MB of memory in use. ENERGY: 4090800 3972.6950 20389.9074 14428.4856 229.5924 -203468.0963 2533.5004 0.0000 0.0000 52058.9726 -109854.9428 299.1836 -161913.9155 -109486.0206 299.3285 -114.4935 -76.7466 759923.3783 10.4891 10.2887 PRESSURE: 4091000 2.47249 42.0173 -71.5002 42.0181 -63.8393 -95.9382 -71.5003 -95.9383 462.166 GPRESSURE: 4091000 22.981 -97.6822 -68.4448 101.394 55.0468 -127.537 -19.4543 -149.275 423.756 PRESSAVG: 4091000 44.2474 -5.21517 15.6428 -5.21522 -62.0873 50.0401 15.6428 50.0401 4.04317 GPRESSAVG: 4091000 45.7317 -2.13764 12.9647 -5.75961 -61.3316 51.02 15.5205 48.7121 1.82267 TIMING: 4091000 CPU: 12936.8, 0.00318038/step Wall: 12936.8, 0.00318038/step, 0.803045 hours remaining, 237.843750 MB of memory in use. ENERGY: 4091000 3929.2999 20538.7954 14451.7945 250.6837 -204168.4035 2738.9271 0.0000 0.0000 52328.6795 -109930.2234 300.7336 -162258.9029 -109559.5805 298.2643 133.5998 167.2612 760514.2328 -4.5989 -4.5924 PRESSURE: 4091200 -243.826 -54.3931 95.3419 -54.3929 -391.105 -193.737 95.3426 -193.736 -550.606 GPRESSURE: 4091200 -158.138 -28.216 42.9193 -116.629 -438.698 -148.839 133.568 -177.167 -495.272 PRESSAVG: 4091200 34.6493 31.2483 18.9461 31.2483 -41.2667 1.6155 18.9461 1.61553 -9.25255 GPRESSAVG: 4091200 34.29 32.0094 21.4892 31.559 -43.2159 0.397516 19.9962 0.137433 -7.41187 TIMING: 4091200 CPU: 12937.4, 0.00318614/step Wall: 12937.4, 0.00318614/step, 0.804323 hours remaining, 237.843750 MB of memory in use. ENERGY: 4091200 4029.9057 20489.5346 14417.0830 235.1457 -203668.5895 2565.6633 0.0000 0.0000 52026.6895 -109904.5678 298.9981 -161931.2573 -109546.3157 298.6677 -395.1789 -364.0360 762186.5321 -5.2900 -5.4459 PRESSURE: 4091400 -12.4592 42.0034 92.4771 42.0029 -334.379 13.7153 92.4769 13.7146 132.663 GPRESSURE: 4091400 19.5844 -95.1981 72.4598 75.486 -254.969 40.8547 -58.9039 -47.8032 127.134 PRESSAVG: 4091400 34.6069 6.01194 23.7288 6.01189 -26.7155 -16.7419 23.7288 -16.742 -8.90036 GPRESSAVG: 4091400 33.7249 2.60298 25.1226 8.20758 -25.9428 -14.9547 23.7984 -15.7381 -9.43584 TIMING: 4091400 CPU: 12938, 0.00316698/step Wall: 12938, 0.00316698/step, 0.79931 hours remaining, 237.843750 MB of memory in use. ENERGY: 4091400 4017.8926 20547.9902 14435.1051 236.6522 -203657.5366 2342.2089 0.0000 0.0000 51861.7153 -110215.9724 298.0500 -162077.6877 -109862.9508 298.7664 -71.3919 -36.0835 760351.2393 -0.3363 -0.5512 PRESSURE: 4091600 -153.415 -157.542 -86.5676 -157.542 -47.0096 147.654 -86.5675 147.654 335.403 GPRESSURE: 4091600 -87.6006 -48.6619 -182.18 -129.305 -128.852 59.4067 -1.52092 122.711 440.212 PRESSAVG: 4091600 5.35444 10.5699 45.9959 10.5699 -9.24047 -5.88897 45.9959 -5.88902 5.90409 GPRESSAVG: 4091600 5.59542 12.4635 43.8886 9.98791 -9.15595 -6.20459 46.2849 -6.56365 5.43674 TIMING: 4091600 CPU: 12938.7, 0.00314948/step Wall: 12938.7, 0.00314948/step, 0.794718 hours remaining, 237.843750 MB of memory in use. ENERGY: 4091600 3895.9910 20450.0508 14356.5883 253.1318 -203276.0012 2446.5474 0.0000 0.0000 51796.0911 -110077.6008 297.6728 -161873.6919 -109718.0317 297.9168 44.9927 74.5863 761343.9645 0.6727 0.6254 PRESSURE: 4091800 -68.1823 -61.614 79.8847 -61.6145 -60.4453 215.474 79.8839 215.473 -27.8475 GPRESSURE: 4091800 -102.094 -119.054 57.7073 -78.8159 -5.34279 216.73 53.0119 128.808 45.1767 PRESSAVG: 4091800 19.9612 14.9285 -39.9426 14.9285 -27.9601 35.961 -39.9426 35.961 26.2395 GPRESSAVG: 4091800 18.3745 14.5466 -39.1175 14.9892 -27.506 34.6331 -39.63 36.5462 26.8865 TIMING: 4091800 CPU: 12939.3, 0.00315924/step Wall: 12939.3, 0.00315924/step, 0.797006 hours remaining, 237.843750 MB of memory in use. ENERGY: 4091800 3947.6978 20599.3442 14328.9091 245.9554 -203512.2495 2477.1122 0.0000 0.0000 52016.9924 -109896.2384 298.9424 -161913.2308 -109542.1841 298.4216 -52.1584 -20.7533 761510.8244 6.0802 5.9183 PRESSURE: 4092000 -194.202 -110.454 -46.1786 -110.454 -167.131 -101.772 -46.1784 -101.772 213.891 GPRESSURE: 4092000 -46.4228 -41.51 33.5697 -105.606 -161.805 -171.717 -218.729 -131.447 141.534 PRESSAVG: 4092000 25.2814 -41.1 -39.2969 -41.1001 -23.5202 10.4791 -39.297 10.4791 6.76968 GPRESSAVG: 4092000 26.7072 -42.3486 -38.5797 -43.0703 -24.0704 9.70674 -40.6459 11.6384 6.04128 TIMING: 4092000 CPU: 12939.9, 0.00316311/step Wall: 12939.9, 0.00316311/step, 0.797808 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4092000 3961.5495 20576.4024 14458.2706 243.5925 -203654.3573 2419.3944 0.0000 0.0000 51924.4327 -110070.7153 298.4104 -161995.1480 -109707.3477 298.9139 -49.1473 -22.2315 760800.9563 2.8436 2.8927 PRESSURE: 4092200 146.967 -76.2771 247.43 -76.2776 -271.674 -229.443 247.43 -229.442 -274.285 GPRESSURE: 4092200 270.274 155.251 205.28 -48.5809 -236.955 -131.826 234.426 -239.752 -333.283 PRESSAVG: 4092200 18.4974 25.8607 -61.7824 25.8607 14.4133 -40.5914 -61.7824 -40.5914 1.09781 GPRESSAVG: 4092200 19.0152 28.1464 -63.087 28.801 14.3327 -38.3313 -61.7166 -41.9516 0.58216 TIMING: 4092200 CPU: 12940.6, 0.00317946/step Wall: 12940.6, 0.00317946/step, 0.801755 hours remaining, 237.843750 MB of memory in use. ENERGY: 4092200 3947.6575 20398.3467 14395.1086 240.6080 -203778.0796 2771.5394 0.0000 0.0000 51968.4624 -110056.3572 298.6635 -162024.8196 -109695.2934 298.1796 -132.9974 -99.9877 761076.0438 11.3362 11.3100 LDB: ============= START OF LOAD BALANCING ============== 12953 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12953 LDB: =============== DONE WITH MIGRATION ================ 12953 LDB: ============= START OF LOAD BALANCING ============== 12953.3 LDB: Largest compute 7078 load 0.033243 is 16.9% of average load 0.196168 LDB: Average compute 0.004378 is 2.2% of average load 0.196168 LDB: TIME 12953.3 LOAD: AVG 0.196168 MAX 0.216053 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 12953.3 LOAD: AVG 0.196168 MAX 0.216053 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 12953.3 LOAD: AVG 0.196168 MAX 0.216053 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 12953.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12953.3 PRESSURE: 4092400 -276.815 106.148 181.26 106.147 -191.429 -41.8561 181.26 -41.8566 -25.1814 GPRESSURE: 4092400 -264.086 120.87 274.449 40.6045 -131.052 -80.9372 18.4985 34.4039 -16.9592 PRESSAVG: 4092400 34.8936 32.3106 -13.6709 32.3106 -71.5391 -4.76594 -13.6708 -4.76598 19.0581 GPRESSAVG: 4092400 33.9897 29.0775 -12.2855 32.0548 -71.1598 -6.60019 -12.5216 -5.70528 19.5505 TIMING: 4092400 CPU: 12941.2, 0.00322353/step Wall: 12941.2, 0.00322353/step, 0.812688 hours remaining, 238.410156 MB of memory in use. ENERGY: 4092400 3970.4126 20438.9782 14363.3612 250.1874 -203641.8123 2728.5886 0.0000 0.0000 51705.6144 -110184.6698 297.1529 -161890.2842 -109813.9349 298.0185 -164.4754 -137.3656 763217.4210 -5.8625 -5.8732 PRESSURE: 4092600 -116.299 78.9185 129.224 78.9185 210.379 39.1125 129.224 39.1125 226.225 GPRESSURE: 4092600 -42.8637 68.3275 28.4176 89.3401 257.423 -26.472 116.608 58.7252 174.474 PRESSAVG: 4092600 48.8893 6.32503 10.4163 6.32506 -4.27563 29.1709 10.4163 29.171 -8.00705 GPRESSAVG: 4092600 48.2435 7.60398 11.5037 5.51751 -3.22094 28.7448 9.548 33.5643 -7.88512 TIMING: 4092600 CPU: 12941.8, 0.00316226/step Wall: 12941.8, 0.00316226/step, 0.797065 hours remaining, 238.613281 MB of memory in use. ENERGY: 4092600 3877.3223 20488.1628 14431.5219 229.4243 -204032.5632 2858.3132 0.0000 0.0000 51907.8745 -110239.9442 298.3153 -162147.8187 -109874.0230 297.8961 106.7680 129.6778 761944.8756 12.2022 12.3792 PRESSURE: 4092800 62.2377 35.5735 34.3841 35.574 -284.629 52.4356 34.3846 52.4358 432.325 GPRESSURE: 4092800 185.018 28.7944 175.996 78.8225 -188.271 39.0478 15.6276 102.35 309.433 PRESSAVG: 4092800 -0.90944 35.9918 7.67257 35.9919 4.89087 18.892 7.67257 18.892 10.1644 GPRESSAVG: 4092800 -1.17837 36.2401 6.5659 34.5886 5.62401 19.3771 7.46019 15.1872 9.76199 TIMING: 4092800 CPU: 12942.5, 0.00315076/step Wall: 12942.5, 0.00315076/step, 0.793992 hours remaining, 238.613281 MB of memory in use. ENERGY: 4092800 3965.4273 20490.3119 14390.3942 245.5639 -203580.4106 2481.4314 0.0000 0.0000 51798.3747 -110208.9071 297.6860 -162007.2819 -109836.7615 298.1473 69.9779 102.0600 762035.2549 4.7153 4.7359 PRESSURE: 4093000 -66.4159 -135.77 -137.721 -135.77 -221.442 101.146 -137.721 101.147 114.216 GPRESSURE: 4093000 -50.8004 -9.75789 -146.734 47.3758 -208.932 158.126 -96.206 75.4146 172.364 PRESSAVG: 4093000 5.94086 -8.29271 -8.46816 -8.2926 -56.1965 37.0735 -8.4682 37.0735 3.31257 GPRESSAVG: 4093000 6.65107 -6.59807 -8.30122 -6.01332 -57.8167 37.6862 -8.55003 39.9039 3.93976 TIMING: 4093000 CPU: 12943.1, 0.00315603/step Wall: 12943.1, 0.00315603/step, 0.795143 hours remaining, 238.613281 MB of memory in use. ENERGY: 4093000 4038.4170 20463.9641 14395.7530 240.8539 -203780.0670 2575.7368 0.0000 0.0000 51933.8703 -110131.4719 298.4647 -162065.3422 -109767.0659 298.2861 -57.8806 -29.1226 759590.8168 -15.6477 -15.7419 PRESSURE: 4093200 -59.5811 -36.602 -47.9132 -36.6024 74.7915 -301.02 -47.9135 -301.02 -51.7361 GPRESSURE: 4093200 2.27588 -34.8193 -114.055 -93.7169 82.5605 -327.246 -81.5037 -334.058 -48.1841 PRESSAVG: 4093200 19.869 -27.8493 -13.4593 -27.8493 -35.7717 -22.8624 -13.4593 -22.8624 13.167 GPRESSAVG: 4093200 20.3241 -28.0177 -13.739 -28.7146 -36.1152 -23.0335 -12.4571 -23.1408 13.2617 TIMING: 4093200 CPU: 12943.7, 0.00317963/step Wall: 12943.7, 0.00317963/step, 0.800914 hours remaining, 238.613281 MB of memory in use. ENERGY: 4093200 3969.5525 20566.8073 14354.8273 239.8869 -204045.4225 2837.3565 0.0000 0.0000 51966.4360 -110110.5560 298.6518 -162076.9920 -109743.9620 298.3669 -12.1752 12.2174 760570.7326 -0.9119 -0.8431 PRESSURE: 4093400 -206.481 -70.5108 206.826 -70.5111 -25.678 -132.04 206.825 -132.039 -113.597 GPRESSURE: 4093400 -262.397 -110.123 270.398 -50.9745 9.97163 -142.442 -45.791 -157.147 -25.7858 PRESSAVG: 4093400 18.6168 -31.965 34.441 -31.965 -45.8879 5.14567 34.4409 5.14578 10.0588 GPRESSAVG: 4093400 18.5564 -32.9701 34.463 -34.2566 -45.1882 3.65936 33.9245 3.53 9.65561 TIMING: 4093400 CPU: 12944.4, 0.00314964/step Wall: 12944.4, 0.00314964/step, 0.793183 hours remaining, 238.613281 MB of memory in use. ENERGY: 4093400 4009.3100 20540.4099 14389.4434 257.7564 -203725.5679 2600.6488 0.0000 0.0000 51672.5916 -110255.4079 296.9631 -161927.9995 -109911.4697 298.0771 -115.2522 -92.7370 760393.3418 -5.7374 -5.6588 PRESSURE: 4093600 180.795 7.74398 8.5553 7.74337 167.734 156.381 8.5553 156.38 -24.1425 GPRESSURE: 4093600 258.596 -80.2252 -12.1503 -6.81408 155.94 181.47 57.8659 118.425 6.43469 PRESSAVG: 4093600 72.737 -3.46235 31.9296 -3.46225 -83.6301 65.6186 31.9296 65.6186 -5.42245 GPRESSAVG: 4093600 72.5966 -6.02449 32.2141 -2.31667 -82.087 67.1204 31.6997 65.2022 -6.99845 TIMING: 4093600 CPU: 12945, 0.00315495/step Wall: 12945, 0.00315495/step, 0.794347 hours remaining, 238.613281 MB of memory in use. ENERGY: 4093600 3970.7795 20393.0983 14424.7411 246.2541 -203464.2681 2464.8821 0.0000 0.0000 51833.9271 -110130.5860 297.8903 -161964.5131 -109764.5768 297.7793 108.1287 140.3235 760555.9890 -5.4385 -5.4963 PRESSURE: 4093800 -169.674 61.694 -80.5695 61.6934 -257.373 -29.8142 -80.5696 -29.8142 -143.728 GPRESSURE: 4093800 -148.711 136.222 -104.488 91.4649 -222.941 61.1076 -82.0023 -1.56621 -118.322 PRESSAVG: 4093800 41.8809 8.78262 10.2997 8.7826 -69.4486 6.91293 10.2998 6.91302 8.30165 GPRESSAVG: 4093800 42.6244 9.90792 8.91041 8.88997 -71.5424 6.59261 8.60425 6.004 10.2714 TIMING: 4093800 CPU: 12945.6, 0.00315375/step Wall: 12945.6, 0.00315375/step, 0.793869 hours remaining, 238.613281 MB of memory in use. ENERGY: 4093800 3966.2448 20591.7270 14362.7257 263.1998 -203734.0466 2505.9707 0.0000 0.0000 52095.4911 -109948.6875 299.3935 -162044.1786 -109595.4427 298.0562 -190.2586 -163.3245 760640.8353 -6.4220 -6.2155 PRESSURE: 4094000 -481.967 -94.7979 107.815 -94.7972 -277.557 21.339 107.814 21.3402 80.3297 GPRESSURE: 4094000 -520.29 -72.391 113.877 29.8099 -137.521 -3.25468 143.564 76.2723 63.593 PRESSAVG: 4094000 14.5984 -10.7551 7.06242 -10.7552 -28.6799 -0.322086 7.06244 -0.322002 27.4542 GPRESSAVG: 4094000 13.6891 -10.7188 8.34584 -8.34187 -26.8087 0.166007 11.9241 3.10822 26.5954 TIMING: 4094000 CPU: 12946.3, 0.00316433/step Wall: 12946.3, 0.00316433/step, 0.796356 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4094000 4067.8719 20585.7072 14314.4158 240.7939 -204087.2208 2574.4612 0.0000 0.0000 52134.8412 -110169.1295 299.6196 -162303.9707 -109813.8065 298.4463 -226.3983 -198.0725 760345.7429 4.4576 4.4919 PRESSURE: 4094200 -70.9899 28.8707 135.983 28.87 -260.375 -330.758 135.984 -330.757 94.5006 GPRESSURE: 4094200 7.86815 -10.8554 115.51 -32.2756 -266.476 -215.819 151.465 -388.693 112.373 PRESSAVG: 4094200 10.056 -16.3517 45.8995 -16.3516 -5.15062 -19.1054 45.8996 -19.1054 -10.2625 GPRESSAVG: 4094200 11.3495 -17.3265 45.1569 -19.2674 -6.56022 -18.7327 43.5513 -21.652 -10.299 TIMING: 4094200 CPU: 12946.9, 0.00314313/step Wall: 12946.9, 0.00314313/step, 0.790845 hours remaining, 238.613281 MB of memory in use. ENERGY: 4094200 3906.7528 20443.4919 14372.0877 249.3761 -203280.4964 2281.8382 0.0000 0.0000 52025.7216 -110001.2281 298.9925 -162026.9498 -109634.6283 298.4955 -78.9547 -48.7450 761030.2395 -1.7857 -1.8366 PRESSURE: 4094400 -125.672 -8.69251 -90.0968 -8.69205 -263.122 -113.22 -90.0975 -113.219 -275.755 GPRESSURE: 4094400 -113.238 -8.26519 -135.193 79.8781 -270.411 -171.747 -82.0563 -18.1547 -215.196 PRESSAVG: 4094400 8.3467 9.88034 40.9361 9.88033 -60.9797 11.8644 40.936 11.8644 24.3655 GPRESSAVG: 4094400 8.00851 12.0814 40.5904 11.4018 -61.4101 11.0988 42.0167 12.821 24.7336 TIMING: 4094400 CPU: 12947.5, 0.00314892/step Wall: 12947.5, 0.00314892/step, 0.792128 hours remaining, 238.613281 MB of memory in use. ENERGY: 4094400 4012.6739 20431.7632 14330.5059 257.1524 -203638.1837 2713.2570 0.0000 0.0000 52079.5752 -109813.2560 299.3020 -161892.8312 -109445.3284 298.5927 -221.5164 -199.6148 762319.5911 -9.4225 -9.5560 PRESSURE: 4094600 -245.518 -37.3987 -14.7543 -37.3993 -44.8353 165.508 -14.7529 165.509 -33.3319 GPRESSURE: 4094600 -238.951 -62.4185 -15.372 23.5263 22.3052 221.358 -83.7964 97.4999 0.267217 PRESSAVG: 4094600 -41.0013 -15.2961 17.5103 -15.2961 17.1307 13.5384 17.5103 13.5384 2.97459 GPRESSAVG: 4094600 -42.6639 -15.3781 18.2295 -17.1485 18.9117 13.2173 15.7133 13.4743 2.93633 TIMING: 4094600 CPU: 12948.1, 0.00314893/step Wall: 12948.1, 0.00314893/step, 0.791956 hours remaining, 238.613281 MB of memory in use. ENERGY: 4094600 4006.1954 20521.9833 14374.8403 255.5365 -203655.9314 2706.8123 0.0000 0.0000 52030.6621 -109759.9014 299.0209 -161790.5635 -109402.4308 299.0843 -107.8950 -72.1263 761658.9972 -6.9653 -6.9386 PRESSURE: 4094800 -292.263 90.9336 -17.4059 90.9341 -208.997 -210.255 -17.4053 -210.256 -263.662 GPRESSURE: 4094800 -248.568 30.2158 30.7139 56.3241 -158.279 -168.301 38.8805 -147.165 -258.711 PRESSAVG: 4094800 -54.4111 13.8889 9.93759 13.8889 87.7521 0.304022 9.93748 0.303927 19.8958 GPRESSAVG: 4094800 -52.4272 14.4066 10.0638 15.3082 86.1829 0.727707 9.80476 -1.56742 19.8651 TIMING: 4094800 CPU: 12948.8, 0.00316123/step Wall: 12948.8, 0.00316123/step, 0.794874 hours remaining, 238.613281 MB of memory in use. ENERGY: 4094800 3999.2303 20517.2791 14402.3264 255.1421 -203313.7134 2454.2835 0.0000 0.0000 52106.1608 -109579.2912 299.4548 -161685.4520 -109223.3166 299.4851 -254.9739 -221.8527 761255.8966 17.7456 17.8736 PRESSURE: 4095000 101.342 83.5872 59.1693 83.5882 -242.933 6.31738 59.1688 6.31626 255.611 GPRESSURE: 4095000 163.947 80.7779 150.714 51.621 -81.1223 118.692 -47.0379 -70.1269 121.052 PRESSAVG: 4095000 -26.2458 -5.42964 6.46658 -5.42972 11.5251 10.0655 6.4666 10.0654 -10.0028 GPRESSAVG: 4095000 -26.1008 -7.44429 6.50895 -5.6921 13.0581 9.61175 6.79735 11.3116 -11.7488 TIMING: 4095000 CPU: 12949.4, 0.00316841/step Wall: 12949.4, 0.00316841/step, 0.796503 hours remaining, 238.613281 MB of memory in use. ENERGY: 4095000 3976.4034 20395.4550 14476.2670 239.7404 -203445.1607 2646.8554 0.0000 0.0000 52106.1806 -109604.2589 299.4549 -161710.4394 -109244.5411 299.0919 38.0069 67.9588 760210.4289 -8.2412 -8.2638 PRESSURE: 4095200 94.2286 12.6636 -83.6417 12.6641 256.217 -82.4604 -83.642 -82.4607 760.314 GPRESSURE: 4095200 175.157 -40.926 -49.5425 43.6825 300.008 -90.6693 -100.915 -135.723 714.686 PRESSAVG: 4095200 2.56186 12.1465 -22.3495 12.1465 60.7791 -14.2176 -22.3496 -14.2175 -23.6523 GPRESSAVG: 4095200 2.09105 12.7904 -22.4501 11.5513 59.4642 -13.9335 -22.6045 -13.6964 -22.4429 TIMING: 4095200 CPU: 12950, 0.00317686/step Wall: 12950, 0.00317686/step, 0.798451 hours remaining, 238.613281 MB of memory in use. ENERGY: 4095200 3959.6871 20544.2881 14428.1064 250.3771 -203366.4006 2783.0112 0.0000 0.0000 51972.0941 -109428.8365 298.6843 -161400.9306 -109075.7279 299.3253 370.2531 396.6167 760923.9815 13.2296 13.0375 PRESSURE: 4095400 284.521 110.354 -10.9663 110.355 1.97303 -193.089 -10.9672 -193.089 25.6746 GPRESSURE: 4095400 232.432 188.639 -95.7154 8.11532 115.995 -176.53 -21.0068 -91.8364 34.5387 PRESSAVG: 4095400 45.7858 -19.7047 -6.53516 -19.7046 -29.3948 18.1951 -6.53518 18.1952 1.41677 GPRESSAVG: 4095400 45.6981 -18.178 -6.04353 -20.6262 -28.7418 18.6559 -4.43086 16.3555 1.35855 TIMING: 4095400 CPU: 12950.7, 0.00319427/step Wall: 12950.7, 0.00319427/step, 0.80265 hours remaining, 238.613281 MB of memory in use. ENERGY: 4095400 4062.9687 20350.7533 14339.0317 244.6141 -203392.9047 2672.1624 0.0000 0.0000 52247.3507 -109476.0239 300.2662 -161723.3746 -109113.6103 298.9730 104.0561 127.6553 760886.3037 5.9359 6.1049 PRESSURE: 4095600 -56.9846 52.427 -46.6103 52.4271 178.394 51.2424 -46.6098 51.2427 150.978 GPRESSURE: 4095600 64.7829 42.2511 -91.1045 151.309 152.88 127.324 -25.5875 51.609 130.882 PRESSAVG: 4095600 -36.2688 -56.6705 17.37 -56.6705 14.2281 36.6223 17.3701 36.6223 -11.804 GPRESSAVG: 4095600 -36.1475 -57.9211 15.6977 -54.8313 13.5909 36.5568 16.0188 38.7614 -11.212 TIMING: 4095600 CPU: 12951.3, 0.00318707/step Wall: 12951.3, 0.00318707/step, 0.800664 hours remaining, 238.613281 MB of memory in use. ENERGY: 4095600 3991.0062 20489.7349 14396.1400 244.9404 -203183.6088 2764.4981 0.0000 0.0000 51988.9237 -109308.3655 298.7811 -161297.2891 -108948.5216 299.2339 90.7959 116.1815 761735.1751 -11.2816 -11.2562 PRESSURE: 4095800 -164.907 -48.719 -375.578 -48.719 -184.624 -21.3548 -375.578 -21.3553 462.687 GPRESSURE: 4095800 -183.519 27.7116 -314.499 -71.2641 -83.5099 92.58 -396.513 -55.0796 446.418 PRESSAVG: 4095800 -8.45668 5.8178 -31.1108 5.81783 39.4153 13.3608 -31.1108 13.3608 13.3423 GPRESSAVG: 4095800 -8.72017 5.62865 -30.2551 6.47717 39.1535 13.6947 -31.4838 13.0864 13.139 TIMING: 4095800 CPU: 12951.9, 0.00314927/step Wall: 12951.9, 0.00314927/step, 0.790992 hours remaining, 238.613281 MB of memory in use. ENERGY: 4095800 4041.3281 20623.6568 14362.7564 238.2695 -203109.5366 2653.1290 0.0000 0.0000 51963.3243 -109227.0723 298.6339 -161190.3967 -108871.9759 299.5683 37.7187 59.7963 760338.8478 14.7670 14.5241 PRESSURE: 4096000 -129.777 131.19 -322.057 131.189 222.487 -7.40327 -322.057 -7.40349 346.558 GPRESSURE: 4096000 -37.2014 209.884 -273.936 95.8988 231.177 42.5777 -303.369 -33.8795 347.454 PRESSAVG: 4096000 -17.2148 -11.8435 -41.8888 -11.8435 26.9156 -4.53282 -41.8887 -4.53277 -2.35431 GPRESSAVG: 4096000 -17.9527 -11.7787 -40.5102 -14.164 27.628 -5.28911 -41.7562 -4.35016 -2.27869 TIMING: 4096000 CPU: 12952.6, 0.0031591/step Wall: 12952.6, 0.0031591/step, 0.793286 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4096000 3972.6350 20600.0561 14323.6632 218.0992 -203189.1794 2673.7042 0.0000 0.0000 52356.1520 -109044.8695 300.8915 -161401.0215 -108677.3796 300.0191 146.4224 180.4767 760529.0991 2.4488 2.4655 PRESSURE: 4096200 -157.138 79.4213 52.4771 79.4213 -237.116 53.9989 52.4768 53.9989 -302.548 GPRESSURE: 4096200 -165.939 209.587 179.125 33.1436 -165.405 -10.341 37.0006 56.1887 -274.905 PRESSAVG: 4096200 -3.05276 -10.9879 13.3204 -10.9879 71.6211 -32.744 13.3204 -32.744 -21.3376 GPRESSAVG: 4096200 -3.94332 -9.35808 12.6519 -12.0063 71.5684 -33.1141 12.145 -32.4691 -20.5132 TIMING: 4096200 CPU: 12953.2, 0.00316425/step Wall: 12953.2, 0.00316425/step, 0.794404 hours remaining, 238.613281 MB of memory in use. ENERGY: 4096200 3975.2858 20593.5102 14447.3043 250.1038 -202839.5556 2278.4891 0.0000 0.0000 52392.1109 -108902.7516 301.0982 -161294.8625 -108529.2178 300.4771 -232.2674 -202.0832 761892.7119 15.7436 15.7040 LDB: ============= START OF LOAD BALANCING ============== 12965.6 LDB: ============== END OF LOAD BALANCING =============== 12965.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12965.6 LDB: ============= START OF LOAD BALANCING ============== 12965.9 LDB: Largest compute 7055 load 0.034371 is 17.5% of average load 0.196189 LDB: Average compute 0.004395 is 2.2% of average load 0.196189 LDB: TIME 12965.9 LOAD: AVG 0.196189 MAX 0.215414 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 12965.9 LOAD: AVG 0.196189 MAX 0.215414 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 12965.9 LOAD: AVG 0.196189 MAX 0.215414 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 12965.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12965.9 PRESSURE: 4096400 -288.248 -322.512 -57.1189 -322.512 -137.697 -284.166 -57.1193 -284.166 -150.837 GPRESSURE: 4096400 -221.46 -277.197 -107.462 -198.449 -107.372 -309.033 58.5866 -197.675 -170.725 PRESSAVG: 4096400 -27.5551 -17.6019 4.31515 -17.6019 -48.5207 -15.7027 4.31513 -15.7027 -5.82644 GPRESSAVG: 4096400 -27.6253 -20.2717 4.28341 -14.5675 -48.2644 -16.3185 6.24331 -16.2139 -6.72543 TIMING: 4096400 CPU: 12953.9, 0.00324033/step Wall: 12953.9, 0.00324033/step, 0.813322 hours remaining, 238.410156 MB of memory in use. ENERGY: 4096400 4018.3158 20700.9824 14317.9384 233.0424 -202824.4467 2389.5874 0.0000 0.0000 52189.4166 -108975.1635 299.9333 -161164.5802 -108619.8145 300.6654 -192.2607 -166.5191 761621.8755 -27.3008 -27.5384 PRESSURE: 4096600 -183.65 167.812 -82.8334 167.812 225.604 241.524 -82.8342 241.525 549.863 GPRESSURE: 4096600 -143.823 151.771 -17.3025 147.309 268.872 311.508 -145.896 315.835 556.742 PRESSAVG: 4096600 -15.4475 29.9767 -18.9613 29.9767 11.7072 -52.7861 -18.9613 -52.786 23.8228 GPRESSAVG: 4096600 -14.8031 31.0762 -19.834 29.1779 10.6488 -50.436 -17.4274 -51.6675 24.105 TIMING: 4096600 CPU: 12954.5, 0.00318577/step Wall: 12954.5, 0.00318577/step, 0.799451 hours remaining, 238.480469 MB of memory in use. ENERGY: 4096600 3908.0224 20486.6453 14403.4654 244.2644 -203279.1131 2923.7564 0.0000 0.0000 52442.8217 -108870.1375 301.3896 -161312.9592 -108496.1831 300.4118 197.2726 227.2636 760725.1948 6.6942 6.6503 PRESSURE: 4096800 -80.3657 -117.229 34.2026 -117.228 30.6483 11.1509 34.2022 11.1522 -184.589 GPRESSURE: 4096800 -78.4834 10.0237 -5.56008 -91.5352 12.5663 -58.0419 58.5252 -61.8328 -81.3315 PRESSAVG: 4096800 -20.0419 28.2847 -48.8998 28.2847 37.0916 -10.2984 -48.8998 -10.2984 7.29162 GPRESSAVG: 4096800 -18.0028 28.7193 -51.011 27.6077 37.0103 -9.52008 -49.9878 -10.8191 5.31104 TIMING: 4096800 CPU: 12955.1, 0.00317379/step Wall: 12955.1, 0.00317379/step, 0.796269 hours remaining, 238.480469 MB of memory in use. ENERGY: 4096800 3994.6453 20754.6448 14429.7590 254.0060 -203247.8963 2817.2534 0.0000 0.0000 52186.2511 -108811.3366 299.9151 -160997.5878 -108455.4021 301.2059 -78.1021 -49.0829 761079.5282 8.1138 8.1062 PRESSURE: 4097000 -321.059 137.007 232.956 137.007 -87.509 -4.97099 232.956 -4.97015 -160.941 GPRESSURE: 4097000 -240.123 135.276 172.962 247.623 -86.4898 3.71154 301.253 -163.473 -151.156 PRESSAVG: 4097000 -11.004 -39.524 25.3377 -39.524 27.1704 10.0576 25.3377 10.0577 13.1349 GPRESSAVG: 4097000 -12.4241 -38.5 26.2156 -39.8612 27.8261 8.86965 24.0436 9.12372 14.2646 TIMING: 4097000 CPU: 12955.8, 0.00317261/step Wall: 12955.8, 0.00317261/step, 0.795796 hours remaining, 238.480469 MB of memory in use. ENERGY: 4097000 3994.8525 20545.2174 14317.9523 244.8255 -202708.4097 2360.7868 0.0000 0.0000 52377.8431 -108866.9322 301.0162 -161244.7753 -108493.0664 300.4886 -189.8365 -159.2563 761581.3668 9.7671 9.8889 PRESSURE: 4097200 -355.584 -190.248 77.8582 -190.248 -141.514 165.971 77.8587 165.971 -258.507 GPRESSURE: 4097200 -261.455 -155.652 61.7535 -250.879 -141.247 222.207 -43.2217 -14.1341 -264.25 PRESSAVG: 4097200 58.1935 -17.976 -0.054072 -17.9759 -9.76145 3.84158 -0.0540342 3.84162 -2.92256 GPRESSAVG: 4097200 58.7899 -17.911 1.75202 -18.0075 -9.74067 2.45969 -0.999328 2.86096 -3.00707 TIMING: 4097200 CPU: 12956.4, 0.0031845/step Wall: 12956.4, 0.00318449/step, 0.7986 hours remaining, 238.480469 MB of memory in use. ENERGY: 4097200 4023.9006 20504.1826 14340.2572 242.6435 -202729.6267 2330.7880 0.0000 0.0000 52436.7954 -108851.0594 301.3550 -161287.8548 -108486.5672 300.4469 -251.8683 -222.3174 761855.1276 15.1698 15.3474 PRESSURE: 4097400 -120.34 -129.623 67.4231 -129.623 2.26754 -204.319 67.4229 -204.318 -8.27287 GPRESSURE: 4097400 -27.2296 -129.437 87.9384 -95.6482 17.0072 -172.97 31.9396 -137.172 -28.1258 PRESSAVG: 4097400 -12.287 -17.9887 -9.97076 -17.9888 -28.8255 3.20376 -9.97079 3.20381 16.4322 GPRESSAVG: 4097400 -11.7379 -18.8298 -11.825 -19.0347 -29.8705 4.44856 -7.38769 4.34205 17.0354 TIMING: 4097400 CPU: 12957, 0.00318088/step Wall: 12957, 0.00318088/step, 0.797517 hours remaining, 238.480469 MB of memory in use. ENERGY: 4097400 4058.0950 20506.3742 14422.1829 236.4181 -202866.9964 2447.2897 0.0000 0.0000 52341.5696 -108855.0669 300.8077 -161196.6366 -108487.1477 300.5834 -42.1150 -12.7827 761692.8915 -8.2268 -8.1910 PRESSURE: 4097600 291.466 58.4758 39.7677 58.476 -0.461116 31.327 39.768 31.3262 46.9831 GPRESSURE: 4097600 351.114 150.71 94.178 30.7907 32.4299 51.548 -9.76525 51.3387 29.2362 PRESSAVG: 4097600 29.0325 -65.9892 11.6153 -65.9891 -16.0304 6.44645 11.6153 6.44638 -15.0269 GPRESSAVG: 4097600 27.5385 -64.5202 13.0135 -65.8539 -15.5132 7.46044 10.7421 6.69734 -14.7179 TIMING: 4097600 CPU: 12957.7, 0.00319431/step Wall: 12957.7, 0.00319431/step, 0.800707 hours remaining, 238.480469 MB of memory in use. ENERGY: 4097600 3953.7930 20603.8871 14313.0486 257.1488 -202744.0871 2476.9445 0.0000 0.0000 51955.2763 -109183.9889 298.5877 -161139.2651 -108815.4309 300.0200 112.6627 137.5935 761433.5806 -0.6750 -0.8976 PRESSURE: 4097800 423.298 1.37653 60.2166 1.3761 -263.478 89.4348 60.2172 89.435 -152.219 GPRESSURE: 4097800 382.348 -9.12972 0.527193 42.0044 -92.5312 48.3996 84.1413 35.9187 -191.158 PRESSAVG: 4097800 58.1174 -6.23142 -21.0069 -6.23141 -40.9052 7.96649 -21.007 7.96645 0.345996 GPRESSAVG: 4097800 58.5334 -6.02955 -23.7646 -4.80844 -39.4228 7.51889 -20.8605 9.04762 -1.05316 TIMING: 4097800 CPU: 12958.3, 0.00323205/step Wall: 12958.3, 0.00323205/step, 0.809989 hours remaining, 238.480469 MB of memory in use. ENERGY: 4097800 4016.2355 20547.7084 14398.3406 244.8700 -203175.8734 2642.8285 0.0000 0.0000 52199.3890 -109126.5013 299.9906 -161325.8903 -108769.1108 299.4456 2.5335 32.8861 761293.0305 5.8527 6.0191 PRESSURE: 4098000 -219.307 -14.4231 34.5775 -14.4236 134.125 117.441 34.578 117.441 121.957 GPRESSURE: 4098000 -192.982 -29.6087 39.1458 -26.0985 128.311 67.0696 51.1676 86.4574 192.888 PRESSAVG: 4098000 42.5412 -28.4661 1.15635 -28.4661 -33.5895 31.5608 1.15636 31.5607 4.37196 GPRESSAVG: 4098000 42.8682 -29.1317 2.45333 -27.8746 -35.4564 30.4623 1.92964 31.0786 5.74335 TIMING: 4098000 CPU: 12959, 0.00317606/step Wall: 12959, 0.00317606/step, 0.79578 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4098000 3997.0570 20393.5100 14381.0011 233.1422 -203393.7657 2710.3909 0.0000 0.0000 52188.3305 -109490.3340 299.9271 -161678.6645 -109120.6763 299.4219 12.2584 42.7393 763480.9432 4.4412 4.3851 PRESSURE: 4098200 3.50621 -97.0336 205.381 -97.0344 41.2308 65.9736 205.381 65.9743 -387.266 GPRESSURE: 4098200 116.635 -120.005 285.595 -88.6753 26.5353 65.7649 243.172 68.8032 -408.972 PRESSAVG: 4098200 -6.39811 -23.3057 -29.0159 -23.3058 22.1135 18.7875 -29.0159 18.7876 18.7166 GPRESSAVG: 4098200 -6.43782 -23.6778 -29.5875 -25.3366 23.9077 18.5506 -27.4454 19.4473 17.3537 TIMING: 4098200 CPU: 12959.6, 0.00316697/step Wall: 12959.6, 0.00316697/step, 0.793327 hours remaining, 238.480469 MB of memory in use. ENERGY: 4098200 3949.8117 20415.8396 14421.2695 256.9321 -202963.3164 2450.7615 0.0000 0.0000 51715.7866 -109752.9154 297.2113 -161468.7020 -109386.3287 298.3450 -114.1763 -88.6008 761464.1839 11.4773 11.6079 PRESSURE: 4098400 -229.914 70.2079 -128.428 70.2077 -149.034 26.5078 -128.428 26.5076 294.419 GPRESSURE: 4098400 -150.345 17.1273 -132.405 -3.33378 -120.399 -38.7849 6.24007 57.7358 257.925 PRESSAVG: 4098400 -35.8573 -21.4645 34.0095 -21.4645 19.0322 73.8196 34.0094 73.8195 -5.18253 GPRESSAVG: 4098400 -35.1361 -21.1426 35.8705 -18.7897 18.0286 74.3207 30.6833 69.3433 -4.76616 TIMING: 4098400 CPU: 12960.2, 0.00318256/step Wall: 12960.2, 0.00318256/step, 0.797055 hours remaining, 238.480469 MB of memory in use. ENERGY: 4098400 3934.4801 20441.8442 14337.0338 267.3478 -203632.8254 2586.6779 0.0000 0.0000 52234.4749 -109830.9668 300.1922 -162065.4416 -109455.2827 298.1682 -28.1764 -4.2729 762186.3661 -7.3359 -7.2912 PRESSURE: 4098600 54.8361 -96.7266 107.47 -96.7265 24.1594 -237.69 107.469 -237.69 394.478 GPRESSURE: 4098600 -64.9771 -91.1327 122.01 28.1925 63.9891 -238.451 11.0219 -221.668 537.583 PRESSAVG: 4098600 -26.9097 -29.2612 37.6663 -29.2612 2.02904 69.7853 37.6663 69.7853 -8.56331 GPRESSAVG: 4098600 -28.053 -31.0699 36.2139 -30.2976 3.06133 70.1256 39.8068 72.4273 -8.19191 TIMING: 4098600 CPU: 12960.9, 0.00320719/step Wall: 12960.9, 0.00320719/step, 0.803044 hours remaining, 238.480469 MB of memory in use. ENERGY: 4098600 3930.3180 20551.4062 14444.7779 238.6510 -203244.7028 2658.4331 0.0000 0.0000 51599.8655 -109821.2510 296.5451 -161421.1165 -109460.3130 298.4334 157.8246 178.8650 763155.0888 -11.1480 -11.0612 PRESSURE: 4098800 -5.95815 72.5788 -122.324 72.5792 -199.213 372.052 -122.323 372.051 107.108 GPRESSURE: 4098800 48.2561 10.2915 -88.4408 74.9386 -177.867 350.382 -70.3956 372.874 121.554 PRESSAVG: 4098800 61.9334 16.3785 23.5929 16.3785 -66.6394 44.5738 23.5929 44.5738 -12.0642 GPRESSAVG: 4098800 61.7116 17.4111 23.6709 17.2259 -66.1238 44.7573 22.4875 43.9166 -12.0953 TIMING: 4098800 CPU: 12961.5, 0.00322556/step Wall: 12961.5, 0.00322556/step, 0.807466 hours remaining, 238.480469 MB of memory in use. ENERGY: 4098800 3968.4479 20524.3019 14363.8791 237.8044 -203800.9229 2674.1967 0.0000 0.0000 52106.4646 -109925.8283 299.4566 -162032.2930 -109563.3093 297.9178 -32.6876 -2.6857 760824.3761 -5.5901 -5.5025 PRESSURE: 4099000 236.983 67.1239 -227.261 67.123 29.4585 58.8351 -227.259 58.8351 -269.529 GPRESSURE: 4099000 237.2 111.203 -178.297 111.78 69.3459 2.50614 -178.954 37.1081 -248.713 PRESSAVG: 4099000 41.1121 -6.12464 5.60793 -6.12465 -42.5261 18.5833 5.60802 18.5834 -2.6314 GPRESSAVG: 4099000 43.1765 -4.75979 6.85631 -7.16048 -44.0432 16.7792 3.69298 20.078 -3.14363 TIMING: 4099000 CPU: 12962.2, 0.00318089/step Wall: 12962.2, 0.00318089/step, 0.796107 hours remaining, 238.480469 MB of memory in use. ENERGY: 4099000 3946.2953 20594.7026 14377.1571 270.0566 -203511.5930 2549.3183 0.0000 0.0000 52110.9861 -109663.0769 299.4826 -161774.0630 -109297.3720 298.5194 -1.0292 19.2777 761026.2552 -1.3485 -1.3368 PRESSURE: 4099200 142.539 -7.74033 -59.764 -7.74006 198.23 -8.63195 -59.7642 -8.63283 -73.6673 GPRESSURE: 4099200 171.878 -81.1054 -61.3404 -36.2868 254.398 13.8446 19.1719 -72.204 -71.0674 PRESSAVG: 4099200 -6.70494 -16.5317 22.8582 -16.5317 4.75886 2.99956 22.8581 2.99954 4.70216 GPRESSAVG: 4099200 -7.301 -16.5883 21.9909 -18.1516 5.39605 2.84361 22.9706 3.25635 4.7865 TIMING: 4099200 CPU: 12962.8, 0.00314351/step Wall: 12962.8, 0.00314351/step, 0.786575 hours remaining, 238.480469 MB of memory in use. ENERGY: 4099200 3964.3550 20540.7065 14440.0692 252.5581 -203217.6912 2446.7085 0.0000 0.0000 51806.9339 -109766.3599 297.7352 -161573.2938 -109417.4469 298.7735 89.0339 118.4031 760282.9822 0.9187 0.9605 PRESSURE: 4099400 301.479 -141.866 -39.983 -141.867 -31.0805 128.8 -39.9824 128.798 -107.158 GPRESSURE: 4099400 334.676 -110.952 -17.8377 -93.7027 29.6025 204.018 -66.473 88.9463 -115.532 PRESSAVG: 4099400 39.9701 2.10815 34.0677 2.10811 -22.8279 -14.7359 34.0678 -14.7358 -10.9176 GPRESSAVG: 4099400 39.0587 1.12519 33.6131 3.91781 -22.4556 -13.4151 35.6495 -17.4076 -10.6552 TIMING: 4099400 CPU: 12963.4, 0.00316597/step Wall: 12963.4, 0.00316597/step, 0.79202 hours remaining, 238.480469 MB of memory in use. ENERGY: 4099400 3885.9834 20393.6188 14430.4027 229.3207 -203332.2450 2775.5852 0.0000 0.0000 52031.7770 -109585.5571 299.0273 -161617.3341 -109214.6777 298.4366 54.4135 82.9156 762949.0134 2.0749 1.9826 PRESSURE: 4099600 172.109 30.2041 -214.147 30.204 215.411 -181.546 -214.146 -181.547 467.858 GPRESSURE: 4099600 224.458 44.294 -141.337 149.659 205.033 -58.2685 -132.166 -205.017 512.82 PRESSAVG: 4099600 73.6075 -20.2952 38.1463 -20.2952 0.800248 33.5244 38.1463 33.5244 -0.656384 GPRESSAVG: 4099600 75.4385 -20.5987 38.0398 -19.9306 -0.215755 34.7619 39.5176 34.8235 -1.37147 TIMING: 4099600 CPU: 12964.1, 0.00317946/step Wall: 12964.1, 0.00317946/step, 0.795219 hours remaining, 238.480469 MB of memory in use. ENERGY: 4099600 3981.3757 20475.4988 14420.0418 242.1763 -203287.2597 2766.8399 0.0000 0.0000 52122.3877 -109278.9396 299.5481 -161401.3273 -108921.9068 298.9286 285.1261 314.1038 761926.5343 24.5838 24.6171 PRESSURE: 4099800 25.2424 117.633 -50.5526 117.633 -234.228 -71.0456 -50.5523 -71.0454 -222.178 GPRESSURE: 4099800 86.4742 83.9698 -1.44985 176.958 -252.473 -68.2823 -79.4847 -10.3024 -190.522 PRESSAVG: 4099800 95.1533 -68.9218 -48.6769 -68.9219 -85.1581 49.9602 -48.6769 49.9602 6.83924 GPRESSAVG: 4099800 94.7824 -67.9575 -47.4303 -69.3772 -84.5324 49.4745 -50.9198 51.4141 7.04912 TIMING: 4099800 CPU: 12964.7, 0.00320013/step Wall: 12964.7, 0.00320013/step, 0.80021 hours remaining, 238.480469 MB of memory in use. ENERGY: 4099800 4022.8983 20613.6341 14396.4340 270.1377 -202934.1795 2396.7607 0.0000 0.0000 52155.2484 -109079.0663 299.7369 -161234.3147 -108704.4971 299.5689 -143.7214 -118.8403 762874.8885 5.6115 5.7664 PRESSURE: 4100000 -81.6081 -324.406 29.0298 -324.406 112.866 165.932 29.0292 165.932 215.634 GPRESSURE: 4100000 -8.32121 -370.51 -0.874075 -269.174 146.531 59.1594 30.5461 74.9437 202.803 PRESSAVG: 4100000 25.2531 -38.2189 23.0279 -38.219 -9.13277 58.5654 23.0279 58.5655 -2.28729 GPRESSAVG: 4100000 26.0724 -38.9672 21.3803 -39.3449 -9.4682 58.4945 24.5491 56.9779 -2.5844 TIMING: 4100000 CPU: 12965.3, 0.00321388/step Wall: 12965.3, 0.00321389/step, 0.803471 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4100000 3996.8195 20429.0702 14407.7869 247.0587 -202981.3025 2774.2079 0.0000 0.0000 52225.1686 -108901.1906 300.1388 -161126.3592 -108542.4139 299.9198 82.2975 113.6709 763231.1147 4.6110 4.6733 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4100000 WRITING COORDINATES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4100200 -124.083 -46.0566 41.084 -46.0556 323.924 17.3342 41.0845 17.3352 527.737 GPRESSURE: 4100200 8.19394 49.1214 104.089 -113.565 274.082 42.2488 -74.4943 -15.3982 548.228 PRESSAVG: 4100200 33.5957 1.35642 16.9805 1.35644 0.321616 -3.73335 16.9805 -3.73331 -13.9215 GPRESSAVG: 4100200 33.4022 4.84474 17.5288 0.469706 0.336785 -5.02256 16.1003 -0.71799 -13.8092 TIMING: 4100200 CPU: 12966, 0.00328756/step Wall: 12966, 0.00328756/step, 0.821707 hours remaining, 238.605469 MB of memory in use. ENERGY: 4100200 3996.4683 20496.4449 14363.1430 231.6499 -202859.3143 2473.7090 0.0000 0.0000 52256.2832 -109041.6159 300.3176 -161297.8991 -108682.0227 300.1502 242.5261 276.8346 762417.5377 6.6653 6.6432 LDB: ============= START OF LOAD BALANCING ============== 12978.4 LDB: ============== END OF LOAD BALANCING =============== 12978.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12978.4 LDB: ============= START OF LOAD BALANCING ============== 12978.7 LDB: Largest compute 7068 load 0.032988 is 16.8% of average load 0.196176 LDB: Average compute 0.004380 is 2.2% of average load 0.196176 LDB: TIME 12978.7 LOAD: AVG 0.196176 MAX 0.216163 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 12978.7 LOAD: AVG 0.196176 MAX 0.216163 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: TIME 12978.7 LOAD: AVG 0.196176 MAX 0.216163 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: ============== END OF LOAD BALANCING =============== 12978.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12978.7 PRESSURE: 4100400 243.096 -38.3474 155.115 -38.3481 17.1058 6.36368 155.115 6.36399 374.438 GPRESSURE: 4100400 222.188 49.1384 137.077 -74.5363 65.4313 6.61719 159.084 -115.277 415.933 PRESSAVG: 4100400 -1.73114 -36.2251 32.3416 -36.2251 -18.5461 -29.8831 32.3416 -29.883 4.63665 GPRESSAVG: 4100400 -1.9645 -39.5407 33.0733 -32.6525 -19.3198 -28.6214 33.3656 -31.1206 6.05435 TIMING: 4100400 CPU: 12966.6, 0.00326617/step Wall: 12966.6, 0.00326617/step, 0.816179 hours remaining, 238.152344 MB of memory in use. ENERGY: 4100400 4020.3427 20425.0051 14332.9877 259.1345 -202663.2953 2346.0270 0.0000 0.0000 52214.5122 -109065.2862 300.0775 -161279.7985 -108700.8530 299.8756 211.5467 234.5176 761398.4941 -5.2135 -5.0766 PRESSURE: 4100600 -79.4646 119.339 -112.638 119.338 85.9832 -21.1547 -112.639 -21.1545 163.682 GPRESSURE: 4100600 -18.0215 100.018 -56.4547 -5.43673 186.279 -38.0963 -20.0963 56.6549 78.9182 PRESSAVG: 4100600 66.5614 -36.1773 -13.8936 -36.1773 -39.4803 -12.982 -13.8936 -12.982 -11.9782 GPRESSAVG: 4100600 66.1615 -35.3328 -12.9777 -39.2647 -38.6616 -11.7014 -15.991 -14.9936 -12.5114 TIMING: 4100600 CPU: 12967.3, 0.00320325/step Wall: 12967.3, 0.00320325/step, 0.800279 hours remaining, 238.152344 MB of memory in use. ENERGY: 4100600 3990.2776 20451.2687 14320.0443 241.4701 -202977.2818 2733.8687 0.0000 0.0000 52168.2457 -109072.1067 299.8116 -161240.3524 -108703.7195 299.5598 56.7336 82.3919 764586.6531 5.0343 4.9962 PRESSURE: 4100800 429.813 89.2719 -200.626 89.2721 361.766 -49.3706 -200.626 -49.3703 433.692 GPRESSURE: 4100800 503.826 113.519 -122.043 152.469 404.425 2.65051 -252.414 20.3201 417.598 PRESSAVG: 4100800 4.588 -18.6035 -27.9863 -18.6035 25.9776 16.579 -27.9864 16.5791 -2.4081 GPRESSAVG: 4100800 5.68406 -17.959 -28.3989 -16.9258 24.2887 16.0871 -26.9336 19.5727 -1.49067 TIMING: 4100800 CPU: 12967.9, 0.00320457/step Wall: 12967.9, 0.00320457/step, 0.80043 hours remaining, 238.152344 MB of memory in use. ENERGY: 4100800 3984.8823 20495.7592 14503.9850 236.2345 -203347.9941 3052.6681 0.0000 0.0000 52178.5748 -108895.8902 299.8710 -161074.4650 -108525.8034 300.1636 408.4240 441.9497 761193.7223 9.3858 9.4940 PRESSURE: 4101000 143.471 -59.0217 16.5687 -59.0217 72.3232 61.7782 16.5697 61.7771 -185.948 GPRESSURE: 4101000 100.833 -12.2301 2.5848 146.876 233.21 121.707 114.186 -29.3715 -193.951 PRESSAVG: 4101000 13.5106 -19.6812 3.45974 -19.6813 -26.019 -25.5632 3.45975 -25.5632 -19.7462 GPRESSAVG: 4101000 12.2572 -21.7571 1.97836 -18.7157 -23.6047 -25.3953 2.82744 -28.2002 -20.4139 TIMING: 4101000 CPU: 13027.2, 0.296157/step Wall: 13027.2, 0.296157/step, 73.957 hours remaining, 238.152344 MB of memory in use. ENERGY: 4101000 3990.1383 20420.9468 14332.2282 276.9754 -203058.5039 2700.3288 0.0000 0.0000 52354.6008 -108983.2855 300.8826 -161337.8864 -108618.7579 300.0322 9.9487 46.6975 760486.7199 -10.7515 -10.5872 PRESSURE: 4101200 -135.785 -43.8437 259.916 -43.8439 189.035 137.674 259.916 137.673 179.225 GPRESSURE: 4101200 -50.4874 -10.2588 259.749 -96.7684 168.612 115.504 170.764 143.388 190.52 PRESSAVG: 4101200 -1.08659 -70.0087 22.521 -70.0088 -13.7644 -16.0155 22.521 -16.0155 -3.67193 GPRESSAVG: 4101200 -0.766603 -69.5676 22.693 -71.3479 -14.1514 -16.9052 23.545 -13.2386 -4.06913 TIMING: 4101200 CPU: 13027.8, 0.00334641/step Wall: 13027.8, 0.00334641/step, 0.835488 hours remaining, 238.152344 MB of memory in use. ENERGY: 4101200 4019.5504 20453.8946 14368.1747 253.2917 -202769.9097 2411.5250 0.0000 0.0000 52040.8642 -109222.6091 299.0796 -161263.4733 -108863.2803 299.8154 77.4916 102.8816 760930.3415 -6.1743 -6.3291 PRESSURE: 4101400 1.82452 10.1731 -66.8865 10.1726 -18.5055 -455.939 -66.8864 -455.938 94.9867 GPRESSURE: 4101400 -38.1359 101.582 -12.0529 -77.5234 -13.4086 -386.558 -51.3931 -456.64 209.701 PRESSAVG: 4101400 1.14812 -11.7742 51.1535 -11.7742 1.49908 -14.7508 51.1535 -14.7508 -5.44144 GPRESSAVG: 4101400 1.13499 -12.4552 51.4577 -13.031 1.35065 -13.8453 48.7825 -16.8816 -4.97546 TIMING: 4101400 CPU: 13028.5, 0.00317755/step Wall: 13028.5, 0.00317755/step, 0.793152 hours remaining, 238.152344 MB of memory in use. ENERGY: 4101400 3926.5671 20542.8986 14329.0791 272.6436 -202661.4270 2377.2368 0.0000 0.0000 51921.7087 -109291.2931 298.3948 -161213.0019 -108929.4517 300.0971 26.1019 52.7187 761973.5241 -0.9314 -0.8299 PRESSURE: 4101600 -74.923 38.6096 107.615 38.6085 137.472 -107.807 107.616 -107.807 -240.264 GPRESSURE: 4101600 -12.6515 70.0714 38.8294 192.729 150.542 -117.114 117.167 3.64659 -221.515 PRESSAVG: 4101600 -8.02983 1.88023 0.541991 1.88018 18.082 -46.0987 0.541933 -46.0987 5.21532 GPRESSAVG: 4101600 -8.68667 3.91337 0.390947 4.01513 17.2981 -47.0937 3.04849 -44.5884 6.46523 TIMING: 4101600 CPU: 13029.1, 0.00316541/step Wall: 13029.1, 0.00316541/step, 0.789945 hours remaining, 238.152344 MB of memory in use. ENERGY: 4101600 3975.6960 20572.3182 14411.0679 245.7804 -202764.9639 2463.9237 0.0000 0.0000 51910.6789 -109185.4987 298.3314 -161096.1776 -108817.0716 299.2089 -59.2384 -27.8749 762781.2013 5.0892 5.0256 PRESSURE: 4101800 124.376 189.753 -48.9562 189.753 -18.639 481.571 -48.9556 481.571 136.591 GPRESSURE: 4101800 167.629 213.567 -19.6293 113.429 -8.84388 423.167 -38.7406 293.694 165.401 PRESSAVG: 4101800 28.2035 -1.71335 26.7039 -1.7134 12.2319 51.0688 26.7038 51.0687 11.8533 GPRESSAVG: 4101800 28.334 -0.772486 27.8587 -3.02265 13.676 51.7863 26.523 49.832 10.5243 TIMING: 4101800 CPU: 13030, 0.00466601/step Wall: 13030, 0.00466601/step, 1.16417 hours remaining, 238.152344 MB of memory in use. ENERGY: 4101800 4012.9814 20455.9524 14400.4464 237.2018 -203373.8098 2690.7277 0.0000 0.0000 52288.9428 -109287.5574 300.5053 -161576.5001 -108932.8617 299.6229 80.7763 108.0619 761849.6302 17.4296 17.5114 PRESSURE: 4102000 -125.015 136.437 74.6837 136.437 -271.772 163.66 74.6832 163.66 -161.708 GPRESSURE: 4102000 -89.1344 12.4187 36.9026 -66.064 -300.987 185.112 43.4564 103.358 -66.5595 PRESSAVG: 4102000 -1.01423 30.2364 -28.2759 30.2364 25.4101 -35.7796 -28.2759 -35.7797 -0.536328 GPRESSAVG: 4102000 -0.823928 28.737 -29.6757 29.5311 24.2701 -37.519 -28.4525 -33.9728 0.547 TIMING: 4102000 CPU: 13030.9, 0.00418602/step Wall: 13030.9, 0.00418602/step, 1.04418 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4102000 3990.0700 20421.6861 14316.7011 254.8401 -202749.8392 2294.4093 0.0000 0.0000 51917.3952 -109554.7373 298.3700 -161472.1325 -109198.5434 299.2837 -186.1652 -152.2268 764429.1653 7.9532 7.9977 PRESSURE: 4102200 91.5779 -207.303 -74.1658 -207.304 110.45 -248.199 -74.1665 -248.2 17.8389 GPRESSURE: 4102200 118.861 -222.86 -139.886 -243.06 137.34 -261.739 -58.7725 -183.28 37.5239 PRESSAVG: 4102200 -61.7833 -55.6216 19.4859 -55.6216 56.7416 28.428 19.4858 28.428 34.4969 GPRESSAVG: 4102200 -62.263 -57.8579 19.6616 -54.0775 57.8497 28.7573 19.4334 28.6504 33.2381 TIMING: 4102200 CPU: 13031.5, 0.0031804/step Wall: 13031.5, 0.0031804/step, 0.793157 hours remaining, 238.152344 MB of memory in use. ENERGY: 4102200 3993.3909 20481.4170 14343.1253 244.4768 -203531.5559 2908.3040 0.0000 0.0000 52210.3002 -109350.5417 300.0533 -161560.8418 -108993.4042 298.5761 73.2889 97.9082 763781.7156 9.8184 9.6082 PRESSURE: 4102400 108.792 163.128 174.852 163.128 103.499 147.536 174.852 147.534 -11.6416 GPRESSURE: 4102400 195.249 171.308 79.3791 148.227 102.459 152.627 260.742 117.147 -12.9363 PRESSAVG: 4102400 46.4693 -25.3214 46.9087 -25.3214 -17.407 9.51709 46.9087 9.51704 -7.92083 GPRESSAVG: 4102400 46.2793 -24.9599 46.9658 -25.8316 -17.6814 10.114 45.4004 9.06046 -7.49241 TIMING: 4102400 CPU: 13032.1, 0.00318883/step Wall: 13032.1, 0.00318883/step, 0.795081 hours remaining, 238.152344 MB of memory in use. ENERGY: 4102400 3999.0466 20384.8875 14293.4167 241.4916 -203614.6561 3116.3541 0.0000 0.0000 52144.0817 -109435.3779 299.6728 -161579.4597 -109070.6173 299.0924 66.8832 94.9238 763652.6544 7.0471 7.0352 PRESSURE: 4102600 -69.2801 147.774 -3.17644 147.774 -86.8827 25.4286 -3.1755 25.4277 23.3352 GPRESSURE: 4102600 -48.5851 233.619 82.329 127.841 -46.7605 9.25587 -54.3797 34.3356 50.7397 PRESSAVG: 4102600 -20.1893 -6.40759 55.7724 -6.40758 -36.1335 -48.2483 55.7723 -48.2484 -5.13146 GPRESSAVG: 4102600 -19.8534 -4.34408 56.2425 -7.641 -38.4041 -48.009 56.2961 -48.2754 -3.30621 TIMING: 4102600 CPU: 13032.8, 0.00319961/step Wall: 13032.8, 0.00319961/step, 0.797592 hours remaining, 238.152344 MB of memory in use. ENERGY: 4102600 3948.3966 20426.3899 14282.1867 234.2673 -202828.2393 2285.2752 0.0000 0.0000 52165.2923 -109486.4314 299.7947 -161651.7236 -109126.1520 298.8160 -44.2758 -14.8686 762461.0939 -20.4848 -20.5212 PRESSURE: 4102800 -25.2535 -63.3713 336.355 -63.3712 -502.449 -12.1933 336.354 -12.1931 -102.81 GPRESSURE: 4102800 14.6063 -48.3759 336.359 -79.7768 -441.004 -77.8735 191.125 -39.3858 -109.724 PRESSAVG: 4102800 -2.13475 -2.36799 34.8105 -2.368 -10.2338 26.922 34.8105 26.9219 -3.57489 GPRESSAVG: 4102800 -2.28967 -4.33647 32.6197 -1.22895 -8.43605 27.4331 35.8084 28.115 -5.32448 TIMING: 4102800 CPU: 13033.4, 0.00317706/step Wall: 13033.4, 0.00317706/step, 0.791794 hours remaining, 238.152344 MB of memory in use. ENERGY: 4102800 3998.2038 20428.1321 14300.7827 257.9882 -202632.0694 2233.9699 0.0000 0.0000 51961.2868 -109451.7058 298.6222 -161412.9926 -109085.3882 299.0722 -210.1708 -178.7070 762137.2004 -5.3145 -5.3501 PRESSURE: 4103000 30.6526 -19.0991 162.288 -19.0991 70.0043 127.657 162.288 127.659 -241.123 GPRESSURE: 4103000 -26.0906 15.5541 156.925 91.0944 144.507 129.577 163.387 41.4614 -158.814 PRESSAVG: 4103000 -13.1205 -6.76229 -38.7039 -6.76232 6.12264 34.5046 -38.7039 34.5046 -10.8984 GPRESSAVG: 4103000 -13.1194 -4.85169 -38.4346 -7.62089 6.34371 33.8617 -37.9316 32.3324 -10.9261 TIMING: 4103000 CPU: 13034.1, 0.00317501/step Wall: 13034.1, 0.00317501/step, 0.791107 hours remaining, 238.152344 MB of memory in use. ENERGY: 4103000 4014.4044 20353.7608 14283.1467 236.8736 -203200.4755 2431.6864 0.0000 0.0000 52218.9928 -109661.6109 300.1033 -161880.6037 -109294.9292 298.5824 -46.8221 -13.4661 762861.0594 -5.9654 -5.9006 PRESSURE: 4103200 -454.633 -155.278 -137.106 -155.278 -220.993 -134.032 -137.106 -134.033 -560.334 GPRESSURE: 4103200 -445.163 -103.934 -147.526 -89.8961 -147.484 -118.77 -102.756 -80.4256 -574.354 PRESSAVG: 4103200 -26.8465 -37.4278 -36.7032 -37.4278 20.8834 -3.44172 -36.7032 -3.44171 16.5991 GPRESSAVG: 4103200 -27.2371 -37.835 -35.8275 -36.0727 21.5494 -2.63425 -39.4692 -3.86035 15.9721 TIMING: 4103200 CPU: 13034.7, 0.00346061/step Wall: 13034.7, 0.00346061/step, 0.862077 hours remaining, 238.152344 MB of memory in use. ENERGY: 4103200 4028.4605 20681.6257 14369.7257 253.3705 -203561.6334 2551.8046 0.0000 0.0000 52092.6825 -109583.9639 299.3774 -161676.6464 -109225.8839 298.8202 -411.9864 -389.0002 763328.2840 3.5453 3.4281 PRESSURE: 4103400 -32.846 -129.95 -107.547 -129.949 65.2172 -128.399 -107.547 -128.398 -146.364 GPRESSURE: 4103400 141.706 -192.079 -71.6375 -53.3925 -1.95173 -143.252 -141.016 -43.8613 -149.783 PRESSAVG: 4103400 34.1167 -25.9973 21.1943 -25.9974 -59.7844 66.6886 21.1943 66.6886 -0.0851977 GPRESSAVG: 4103400 34.3353 -26.0971 22.3655 -26.9177 -59.8131 66.9543 22.8695 66.9971 -0.0178945 TIMING: 4103400 CPU: 13035.6, 0.00407733/step Wall: 13035.6, 0.00407733/step, 1.01548 hours remaining, 238.152344 MB of memory in use. ENERGY: 4103400 3951.8483 20493.1558 14410.2123 242.6168 -203253.4277 2701.4818 0.0000 0.0000 52080.5978 -109373.5150 299.3079 -161454.1128 -109008.9145 299.2506 -37.9977 -3.3429 763136.6274 -8.5843 -8.4985 PRESSURE: 4103600 -24.915 91.902 55.4596 91.9029 -229.077 -23.6682 55.46 -23.6683 92.9329 GPRESSURE: 4103600 -7.7532 81.6387 158.97 106.644 -191.876 -4.16934 78.0832 -81.4747 128.22 PRESSAVG: 4103600 12.9434 15.2181 27.4746 15.2181 16.4741 16.1202 27.4746 16.1202 0.760804 GPRESSAVG: 4103600 13.2504 14.9152 28.2638 14.8737 16.0986 15.6877 28.3936 16.0579 1.07669 TIMING: 4103600 CPU: 13036.2, 0.00323736/step Wall: 13036.2, 0.00323736/step, 0.806102 hours remaining, 238.152344 MB of memory in use. ENERGY: 4103600 3984.8198 20464.1727 14390.6852 246.0677 -203683.4413 2774.3365 0.0000 0.0000 52022.8884 -109800.4710 298.9763 -161823.3594 -109431.2538 299.2984 -53.6863 -23.8030 759842.6573 10.0594 10.1419 PRESSURE: 4103800 -104.272 -156.593 144.004 -156.593 -153.221 -183.831 144.003 -183.831 175.737 GPRESSURE: 4103800 68.6652 -148.121 151.25 -91.1887 -142.669 -226.523 81.6389 -112.016 78.1653 PRESSAVG: 4103800 10.8501 -21.3938 2.78678 -21.3938 4.06453 20.4006 2.78688 20.4005 -1.80785 GPRESSAVG: 4103800 9.48603 -21.4527 2.40612 -21.3058 6.18262 19.723 1.349 21.9657 -2.84025 TIMING: 4103800 CPU: 13036.8, 0.00321351/step Wall: 13036.8, 0.00321351/step, 0.799985 hours remaining, 238.152344 MB of memory in use. ENERGY: 4103800 4030.7829 20492.7145 14468.8206 239.7964 -203782.4829 2813.0870 0.0000 0.0000 51986.5703 -109750.7113 298.7675 -161737.2816 -109385.9787 299.3147 -27.2519 1.3871 762308.7453 4.3689 4.2761 PRESSURE: 4104000 134.86 -22.8418 -104.804 -22.8419 -241.82 -337.078 -104.804 -337.078 -159.248 GPRESSURE: 4104000 184.506 7.65752 -3.03186 36.8959 -238.742 -252.438 -228.645 -181.789 -109.637 PRESSAVG: 4104000 -19.2157 -35.0628 27.1374 -35.0628 22.5496 -10.3839 27.1374 -10.3839 1.62932 GPRESSAVG: 4104000 -18.0436 -36.3747 25.8793 -33.4659 20.2847 -10.5705 29.0139 -9.25997 3.04959 TIMING: 4104000 CPU: 13037.5, 0.00326206/step Wall: 13037.5, 0.00326206/step, 0.811891 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4104000 4016.3930 20609.8226 14468.4353 240.0243 -203488.9047 2573.3327 0.0000 0.0000 52055.0445 -109525.8523 299.1611 -161580.8968 -109169.3757 298.9512 -88.7358 -54.6244 760846.0653 1.6544 1.7636 PRESSURE: 4104200 221.746 191.689 -33.4399 191.689 -10.2617 43.0733 -33.4393 43.0747 109.64 GPRESSURE: 4104200 223.213 179.669 -6.85782 285.852 46.7947 83.4853 -3.34453 -46.9634 147.381 PRESSAVG: 4104200 7.01437 2.29112 4.3772 2.29119 -18.7764 7.13199 4.3773 7.13205 -4.10164 GPRESSAVG: 4104200 6.87254 4.04714 4.7175 1.72499 -18.7566 7.46657 2.51858 6.53428 -4.13743 TIMING: 4104200 CPU: 13038.2, 0.00330298/step Wall: 13038.2, 0.00330298/step, 0.821891 hours remaining, 238.152344 MB of memory in use. ENERGY: 4104200 3977.3506 20468.9258 14412.0969 231.4249 -203599.4007 2652.1474 0.0000 0.0000 52359.4086 -109498.0466 300.9102 -161857.4552 -109137.4440 299.4173 107.0415 139.1297 760495.9217 -5.2879 -5.3405 LDB: ============= START OF LOAD BALANCING ============== 13050.6 LDB: ============== END OF LOAD BALANCING =============== 13050.6 LDB: =============== DONE WITH MIGRATION ================ 13050.6 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13050.9 LDB: Largest compute 7055 load 0.036532 is 17.9% of average load 0.204327 LDB: Average compute 0.004435 is 2.2% of average load 0.204327 LDB: TIME 13050.9 LOAD: AVG 0.204327 MAX 0.235472 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 13050.9 LOAD: AVG 0.204327 MAX 0.235472 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: TIME 13050.9 LOAD: AVG 0.204327 MAX 0.227947 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: ============== END OF LOAD BALANCING =============== 13050.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13050.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 4104400 -193.002 15.4929 57.1977 15.4919 83.1584 -83.1294 57.1974 -83.1303 -105.854 GPRESSURE: 4104400 -218.034 -41.5702 32.3569 -29.675 149.38 -101.839 231.266 -102.523 -49.0553 PRESSAVG: 4104400 11.3347 -9.19526 -16.8771 -9.19532 13.7792 1.81058 -16.8771 1.8106 -10.8277 GPRESSAVG: 4104400 11.1212 -8.82294 -16.2173 -9.98832 13.5068 1.44194 -13.8746 -0.546803 -9.34505 TIMING: 4104400 CPU: 13038.8, 0.00334116/step Wall: 13038.8, 0.00334116/step, 0.831205 hours remaining, 238.468750 MB of memory in use. ENERGY: 4104400 4033.4959 20541.0014 14372.2442 263.3722 -203451.8169 2816.1354 0.0000 0.0000 51987.4531 -109438.1146 298.7726 -161425.5678 -109074.3952 299.0323 -71.8990 -39.2366 761760.5945 4.7621 5.0943 PRESSURE: 4104600 -453.386 63.9218 -40.8846 63.922 -189.622 55.2157 -40.8844 55.2148 -133.707 GPRESSURE: 4104600 -417.898 30.8392 60.3955 78.813 -177.833 42.9181 -48.9234 -24.0571 -84.2863 PRESSAVG: 4104600 -32.826 24.7752 4.19054 24.7753 19.9476 -31.7662 4.19049 -31.7661 6.28337 GPRESSAVG: 4104600 -31.5237 24.4558 4.7535 25.4364 19.6989 -31.1074 3.38978 -32.2948 4.96727 TIMING: 4104600 CPU: 13039.5, 0.00325274/step Wall: 13039.5, 0.00325274/step, 0.80903 hours remaining, 238.671875 MB of memory in use. ENERGY: 4104600 4073.3276 20558.6411 14412.7916 242.5743 -203252.8415 2506.3919 0.0000 0.0000 51938.0356 -109521.0793 298.4886 -161459.1150 -109157.3770 299.2123 -258.9048 -226.6725 762273.9257 -2.1983 -2.2858 PRESSURE: 4104800 264.201 23.5462 -62.8548 23.5459 -88.0734 51.3565 -62.855 51.3576 161.041 GPRESSURE: 4104800 296.128 -12.1021 -38.0773 11.3155 -84.3314 41.6776 10.0137 108.405 223.223 PRESSAVG: 4104800 0.711395 -7.61011 9.72028 -7.61016 -78.166 10.4885 9.72029 10.4885 -30.498 GPRESSAVG: 4104800 -0.0264675 -8.24119 8.95164 -8.71459 -77.1918 9.99796 9.54088 14.3851 -29.7472 TIMING: 4104800 CPU: 13040.1, 0.00325462/step Wall: 13040.1, 0.00325462/step, 0.809315 hours remaining, 238.671875 MB of memory in use. ENERGY: 4104800 4068.4335 20424.8964 14494.6445 256.8208 -203640.9203 2865.8063 0.0000 0.0000 52064.0633 -109466.2554 299.2129 -161530.3187 -109109.0340 298.9376 112.3895 145.0066 761032.1937 -35.9842 -35.6552 PRESSURE: 4105000 -63.5587 81.372 39.4891 81.3717 -200.876 230.89 39.4889 230.892 -13.5674 GPRESSURE: 4105000 -162.204 54.9612 54.9652 82.0977 -107.875 229.703 -33.9897 30.2532 64.5 PRESSAVG: 4105000 1.55383 -22.2864 46.3417 -22.2864 -40.3984 38.8314 46.3418 38.8315 -6.9111 GPRESSAVG: 4105000 2.36188 -21.9677 46.2692 -23.5363 -40.1275 40.3726 44.3091 37.42 -7.73962 TIMING: 4105000 CPU: 13040.8, 0.00325864/step Wall: 13040.8, 0.00325864/step, 0.810133 hours remaining, 238.671875 MB of memory in use. ENERGY: 4105000 4084.1041 20722.7987 14420.6288 267.5774 -203280.8518 2422.6787 0.0000 0.0000 51795.5151 -109567.5489 297.6695 -161363.0640 -109214.1274 298.7400 -92.6674 -68.5264 760225.9886 -15.2519 -15.1684 PRESSURE: 4105200 50.7172 129.921 124.157 129.921 99.3243 -118.67 124.157 -118.67 359.344 GPRESSURE: 4105200 151.718 159.287 64.6945 153.815 111.259 23.2852 161.748 -141.51 333.488 PRESSAVG: 4105200 6.9162 -31.863 24.6673 -31.863 -23.7984 15.4067 24.6673 15.4066 5.06027 GPRESSAVG: 4105200 7.25892 -34.537 25.5294 -30.4675 -23.4716 15.1341 25.4118 14.9466 4.31188 TIMING: 4105200 CPU: 13041.5, 0.00347195/step Wall: 13041.5, 0.00347195/step, 0.862972 hours remaining, 238.671875 MB of memory in use. ENERGY: 4105200 4002.7520 20572.9781 14391.2153 244.1015 -203709.2148 2798.6282 0.0000 0.0000 51940.4508 -109759.0889 298.5025 -161699.5397 -109388.9265 299.1377 169.7951 198.8219 760607.4020 -3.9406 -3.9669 PRESSURE: 4105400 -422.794 43.5733 -63.4974 43.5732 -327.443 -46.08 -63.4978 -46.0797 -318.26 GPRESSURE: 4105400 -352.877 152.705 -72.6367 5.28824 -286.409 -66.8476 -84.869 7.2583 -323.955 PRESSAVG: 4105400 38.4126 -5.59936 -0.0570033 -5.59929 -40.3011 -19.8685 -0.0569593 -19.8685 4.24911 GPRESSAVG: 4105400 38.4194 -2.97909 0.251095 -4.53377 -40.376 -19.2617 -1.68342 -18.8962 4.87597 TIMING: 4105400 CPU: 13042.1, 0.00327361/step Wall: 13042.1, 0.00327361/step, 0.813493 hours remaining, 238.671875 MB of memory in use. ENERGY: 4105400 4020.6078 20632.4691 14402.5648 252.4833 -203433.1539 2309.0398 0.0000 0.0000 52152.1326 -109663.8565 299.7190 -161815.9891 -109298.3407 298.5965 -356.1658 -321.0801 761167.8236 0.7869 0.9731 PRESSURE: 4105600 -108.872 -224.621 91.3535 -224.622 -79.5524 223.04 91.3542 223.039 92.7556 GPRESSURE: 4105600 -63.2532 -154.003 55.345 -196.254 -39.4233 189.62 159.545 292.197 98.0294 PRESSAVG: 4105600 61.1622 -44.9804 3.7766 -44.9804 -49.8782 -66.8169 3.77657 -66.8169 -4.31064 GPRESSAVG: 4105600 61.7425 -45.1119 4.59943 -46.8162 -51.3479 -68.2043 7.34165 -68.5057 -4.14048 TIMING: 4105600 CPU: 13042.9, 0.00381691/step Wall: 13042.9, 0.00381691/step, 0.94829 hours remaining, 238.671875 MB of memory in use. ENERGY: 4105600 3920.7607 20673.5109 14366.9422 260.8462 -203967.3882 2902.4251 0.0000 0.0000 52034.1217 -109808.7814 299.0408 -161842.9031 -109444.4170 299.3922 -31.8897 -1.5490 761066.5536 2.3244 2.0847 PRESSURE: 4105800 -36.7176 -145.252 212.994 -145.254 -69.6584 -1.97564 212.996 -1.97523 -351.17 GPRESSURE: 4105800 -45.2402 -91.343 142.454 -238.205 -20.6207 62.4267 50.3026 -50.4281 -317.332 PRESSAVG: 4105800 37.0813 -47.6141 43.0166 -47.6142 -31.7691 -2.60261 43.0167 -2.60268 16.6808 GPRESSAVG: 4105800 36.7115 -47.7889 39.8376 -50.2324 -31.0015 -2.73298 41.8693 -2.08876 16.1775 TIMING: 4105800 CPU: 13043.5, 0.00322526/step Wall: 13043.5, 0.00322526/step, 0.801119 hours remaining, 238.671875 MB of memory in use. ENERGY: 4105800 3971.2557 20467.6801 14375.4296 248.1699 -203622.0265 2827.9222 0.0000 0.0000 51849.8937 -109881.6753 297.9821 -161731.5690 -109519.1147 299.1100 -152.5153 -127.7311 762199.0482 7.3310 7.2958 PRESSURE: 4106000 -511.976 -112.29 120.741 -112.291 -221.301 14.9952 120.74 14.9944 -250.305 GPRESSURE: 4106000 -489.529 -91.4396 -72.6834 -204.4 -244.122 51.665 105.831 99.2622 -155.261 PRESSAVG: 4106000 -12.2625 -8.67963 -29.2988 -8.67961 34.201 -23.1518 -29.2988 -23.1518 24.4122 GPRESSAVG: 4106000 -12.803 -7.40887 -29.5039 -5.9578 34.7104 -23.6774 -27.7846 -22.8572 24.7297 TIMING: 4106000 CPU: 13044.2, 0.0032621/step Wall: 13044.2, 0.0032621/step, 0.810087 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4106000 4070.9543 20657.0394 14395.4487 289.5819 -203352.5887 2539.8530 0.0000 0.0000 51609.0356 -109790.6758 296.5978 -161399.7113 -109438.3094 299.0787 -327.8603 -296.3037 761474.0211 15.4502 15.5457 PRESSURE: 4106200 30.704 43.7116 16.9061 43.7111 87.2236 -31.9228 16.9059 -31.9226 -139.243 GPRESSURE: 4106200 9.9716 10.9745 -20.883 35.7914 163.788 -30.3585 -20.7418 -157.157 -109.806 PRESSAVG: 4106200 14.8995 -61.9272 -2.71477 -61.9272 -52.4398 -22.5553 -2.7148 -22.5553 -12.6311 GPRESSAVG: 4106200 15.2668 -62.9076 -1.43161 -61.5579 -53.626 -22.4543 -5.33965 -23.9387 -12.1363 TIMING: 4106200 CPU: 13044.9, 0.00328538/step Wall: 13044.9, 0.00328538/step, 0.815687 hours remaining, 238.671875 MB of memory in use. ENERGY: 4106200 3967.7694 20600.6368 14369.9462 264.0449 -203589.8654 2652.8922 0.0000 0.0000 52095.0596 -109639.5163 299.3910 -161734.5759 -109271.1839 298.9802 -7.1050 21.3180 761509.0469 -16.7238 -16.8318 PRESSURE: 4106400 155.126 207.327 -114.48 207.327 53.599 23.4647 -114.479 23.4642 226.029 GPRESSURE: 4106400 186.57 95.3326 -28.9172 255.185 128.545 96.8283 -94.9137 1.38144 201.462 PRESSAVG: 4106400 -35.3515 -32.7438 16.437 -32.7438 4.92643 -1.14805 16.4369 -1.14803 18.6557 GPRESSAVG: 4106400 -35.318 -34.0047 17.7685 -31.7741 5.37963 -0.589669 16.5168 -0.860244 18.6046 TIMING: 4106400 CPU: 13045.5, 0.00327793/step Wall: 13045.5, 0.00327793/step, 0.813654 hours remaining, 238.671875 MB of memory in use. ENERGY: 4106400 4055.6096 20474.4378 14433.2719 256.4864 -203587.1735 2775.8282 0.0000 0.0000 51948.8884 -109642.6513 298.5510 -161591.5396 -109284.4652 299.3528 144.9179 172.1923 761568.0670 -3.9231 -3.7779 PRESSURE: 4106600 -139.603 -41.3101 -100.203 -41.31 55.9488 150.207 -100.203 150.207 400.303 GPRESSURE: 4106600 -141.594 -29.5361 -115.486 31.9603 131.864 139.761 -69.0894 205.087 411.485 PRESSAVG: 4106600 30.991 -38.6428 41.0073 -38.6427 -5.61205 -25.8681 41.0073 -25.868 8.96108 GPRESSAVG: 4106600 31.0035 -38.3769 40.9028 -37.7889 -5.44768 -26.1318 42.2054 -25.1371 8.65148 TIMING: 4106600 CPU: 13046.2, 0.0032502/step Wall: 13046.2, 0.0032502/step, 0.806591 hours remaining, 238.671875 MB of memory in use. ENERGY: 4106600 4003.8915 20527.6548 14352.4523 247.6128 -203394.6186 2533.0884 0.0000 0.0000 52266.1029 -109463.8160 300.3740 -161729.9189 -109108.6800 299.1139 105.5497 133.9185 760445.8404 11.4467 11.4024 PRESSURE: 4106800 -132.866 142.072 47.0405 142.071 -53.968 128.527 47.0401 128.528 -104.068 GPRESSURE: 4106800 -139.926 50.5748 66.2917 150.072 46.4999 60.5528 -95.2978 109.94 -122.409 PRESSAVG: 4106800 57.4787 -63.879 -4.89367 -63.8791 -48.4817 29.0461 -4.89361 29.0461 -3.0319 GPRESSAVG: 4106800 56.7436 -62.8756 -5.09716 -65.3564 -47.5638 28.9754 -4.63415 29.4131 -3.34457 TIMING: 4106800 CPU: 13046.8, 0.00330112/step Wall: 13046.8, 0.00330112/step, 0.819044 hours remaining, 238.671875 MB of memory in use. ENERGY: 4106800 3928.6279 20724.3513 14428.2127 250.2056 -202922.5548 2251.1844 0.0000 0.0000 51958.7319 -109381.2410 298.6075 -161339.9729 -109020.8892 299.5671 -96.9673 -71.9450 761411.8172 1.9884 1.9451 PRESSURE: 4107000 211.673 85.1918 -99.3236 85.1911 201.582 114.907 -99.3236 114.906 296.921 GPRESSURE: 4107000 295.012 115.03 -116.835 98.6899 218.001 112.198 -74.1858 173.221 282.279 PRESSAVG: 4107000 90.9143 11.2601 -57.1826 11.2601 -70.646 59.6389 -57.1826 59.6389 1.00635 GPRESSAVG: 4107000 91.9201 9.79949 -57.8095 10.6138 -71.7055 60.7904 -57.4723 57.942 0.767504 TIMING: 4107000 CPU: 13047.5, 0.00337697/step Wall: 13047.5, 0.00337697/step, 0.837677 hours remaining, 238.671875 MB of memory in use. ENERGY: 4107000 3904.5495 20617.4703 14422.9897 237.8063 -203464.1074 2627.5485 0.0000 0.0000 52156.8760 -109496.8672 299.7463 -161653.7433 -109133.1316 299.7411 236.7253 265.0975 760864.7196 7.0916 6.9940 PRESSURE: 4107200 -284.123 146.858 -34.3916 146.858 -221.908 12.6953 -34.3923 12.6958 -158.616 GPRESSURE: 4107200 -155.695 58.5224 -93.7024 119.839 -246.752 52.7805 9.99069 -0.566895 -165.716 PRESSAVG: 4107200 83.8202 -10.824 -51.5256 -10.824 -38.5365 4.65051 -51.5256 4.65059 -9.08319 GPRESSAVG: 4107200 83.0536 -11.1629 -50.7299 -8.8475 -38.9849 2.46007 -51.4443 6.53916 -8.52402 TIMING: 4107200 CPU: 13048.2, 0.0033608/step Wall: 13048.2, 0.0033608/step, 0.833478 hours remaining, 238.671875 MB of memory in use. ENERGY: 4107200 4058.0324 20455.5821 14436.4024 240.5294 -203319.5372 2455.3480 0.0000 0.0000 52072.3466 -109601.2963 299.2605 -161673.6429 -109233.9868 299.5231 -221.5489 -189.3877 759398.4354 12.0668 11.8482 PRESSURE: 4107400 135.114 28.0895 152.538 28.0908 302.836 -91.5654 152.538 -91.5653 0.561026 GPRESSURE: 4107400 91.1787 59.0123 195.907 121.606 360.789 -173.954 69.2663 -26.0048 79.1676 PRESSAVG: 4107400 68.5329 65.6819 -72.2042 65.6819 -29.1358 -60.6632 -72.2042 -60.6632 -1.46515 GPRESSAVG: 4107400 68.0427 65.6824 -71.9616 65.3375 -28.1995 -59.913 -71.7103 -60.6806 -1.96498 TIMING: 4107400 CPU: 13048.8, 0.00328144/step Wall: 13048.8, 0.00328145/step, 0.813616 hours remaining, 238.671875 MB of memory in use. ENERGY: 4107400 3956.2937 20540.0719 14433.5905 241.8154 -203320.9542 2480.0408 0.0000 0.0000 51847.0637 -109822.0782 297.9658 -161669.1419 -109458.1537 298.5884 146.1704 177.0451 759806.6639 12.6440 12.6261 PRESSURE: 4107600 235.621 -138.418 -57.3204 -138.418 -21.4272 84.8977 -57.3209 84.8978 308.154 GPRESSURE: 4107600 235.237 -92.7392 -154.125 -90.8408 -5.77381 74.8017 33.3953 130.999 382.02 PRESSAVG: 4107600 50.235 -20.487 13.296 -20.487 -53.2137 17.1189 13.2961 17.1188 -19.8136 GPRESSAVG: 4107600 50.4871 -18.7515 11.3438 -21.8171 -53.3205 19.8297 13.9087 16.3889 -20.0935 TIMING: 4107600 CPU: 13049.5, 0.00332821/step Wall: 13049.5, 0.00332821/step, 0.825027 hours remaining, 238.671875 MB of memory in use. ENERGY: 4107600 3935.6696 20583.6341 14416.6829 222.0040 -203640.9592 2860.6553 0.0000 0.0000 51959.1517 -109663.1616 298.6100 -161622.3133 -109302.4478 298.9209 174.1160 203.8279 758301.5808 -7.5974 -7.6423 PRESSURE: 4107800 -34.741 -68.1728 241.958 -68.1723 -100.632 64.9278 241.959 64.9273 199.28 GPRESSURE: 4107800 51.4684 52.7855 222.561 -248.282 -83.6521 81.9154 161.845 47.503 160.091 PRESSAVG: 4107800 12.677 -25.5795 0.0169236 -25.5796 -113.622 42.5428 0.0169246 42.5427 -15.5871 GPRESSAVG: 4107800 12.266 -24.8959 1.73586 -28.1085 -114.527 41.8907 -0.958002 40.3115 -14.0965 TIMING: 4107800 CPU: 13050.1, 0.00328339/step Wall: 13050.1, 0.00328339/step, 0.813733 hours remaining, 238.671875 MB of memory in use. ENERGY: 4107800 4023.5176 20487.3671 14467.2950 246.2436 -203358.9689 2515.5922 0.0000 0.0000 52155.4766 -109463.4768 299.7382 -161618.9534 -109090.6031 298.9835 21.3024 42.6358 760045.5351 -38.8439 -38.7859 PRESSURE: 4108000 256.731 33.5303 59.9576 33.5311 -20.9827 -249.61 59.9575 -249.611 276.791 GPRESSURE: 4108000 260.756 87.1827 26.3331 56.0669 121.713 -268.275 122.213 -151.945 202.391 PRESSAVG: 4108000 55.2889 -23.0175 7.15228 -23.0176 4.55081 10.7221 7.15226 10.7222 24.7613 GPRESSAVG: 4108000 55.0958 -24.1682 7.161 -18.7488 5.93695 8.74506 7.65676 12.5155 23.8928 TIMING: 4108000 CPU: 13050.8, 0.00327646/step Wall: 13050.8, 0.00327646/step, 0.811833 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4108000 3935.4935 20713.2243 14480.9899 247.5631 -203311.4605 2516.2763 0.0000 0.0000 52097.3059 -109320.6075 299.4039 -161417.9134 -108954.7077 299.2482 170.8464 194.9533 760832.8164 28.2003 28.3085 PRESSURE: 4108200 -193.312 -221.141 129.619 -221.142 274.267 285.409 129.62 285.409 -353.858 GPRESSURE: 4108200 -139.672 -162.212 154.258 -158.741 222.026 237.887 94.962 363.795 -264.033 PRESSAVG: 4108200 5.18414 6.639 50.9774 6.63902 -10.1418 29.732 50.9774 29.7321 0.238197 GPRESSAVG: 4108200 6.69712 7.33749 52.512 3.97858 -11.5445 30.5853 49.3173 30.052 0.501515 TIMING: 4108200 CPU: 13051.5, 0.0032715/step Wall: 13051.5, 0.0032715/step, 0.810423 hours remaining, 238.671875 MB of memory in use. ENERGY: 4108200 3994.3596 20504.7034 14421.6737 257.7336 -203262.1702 2461.5250 0.0000 0.0000 51955.2470 -109666.9279 298.5875 -161622.1749 -109292.8697 299.3411 -90.9675 -60.5596 759729.9794 -1.5732 -1.4486 LDB: ============= START OF LOAD BALANCING ============== 13063.9 LDB: ============== END OF LOAD BALANCING =============== 13063.9 LDB: =============== DONE WITH MIGRATION ================ 13063.9 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13064.2 LDB: Largest compute 7068 load 0.036991 is 18.2% of average load 0.203227 LDB: Average compute 0.004438 is 2.2% of average load 0.203227 LDB: TIME 13064.2 LOAD: AVG 0.203227 MAX 0.231758 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 13064.2 LOAD: AVG 0.203227 MAX 0.231758 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 13064.2 LOAD: AVG 0.203227 MAX 0.226585 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 13064.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13064.2 Info: useSync: 0 useProxySync: 0 PRESSURE: 4108400 -252.619 -116.46 -116.674 -116.46 -42.2075 107.082 -116.674 107.081 300.53 GPRESSURE: 4108400 -161.299 -78.7333 -64.868 -112.905 40.2277 70.7389 -260.064 40.5608 227.623 PRESSAVG: 4108400 -34.2516 -23.8113 -13.009 -23.8112 67.3867 71.4595 -13.009 71.4595 37.9784 GPRESSAVG: 4108400 -34.3442 -25.2212 -14.0592 -22.7208 67.5042 69.9676 -12.4609 72.6944 37.6141 TIMING: 4108400 CPU: 13052.1, 0.00333101/step Wall: 13052.1, 0.00333101/step, 0.824981 hours remaining, 237.699219 MB of memory in use. ENERGY: 4108400 3936.5783 20556.0332 14414.5282 242.5127 -203525.5087 2528.2845 0.0000 0.0000 52267.2455 -109580.3263 300.3806 -161847.5718 -109211.1985 298.8896 1.9012 35.5172 761890.9823 23.7045 23.5914 PRESSURE: 4108600 177.575 -24.4282 234.328 -24.4281 -543.489 -82.1991 234.328 -82.1998 8.29535 GPRESSURE: 4108600 223.259 -20.6152 246.207 -79.1468 -482.43 -116.295 191.227 -76.3815 -15.0219 PRESSAVG: 4108600 60.3393 -46.4643 18.8369 -46.4643 -51.8951 12.6158 18.837 12.6158 -24.1921 GPRESSAVG: 4108600 58.9559 -46.5738 19.6521 -45.8164 -49.758 13.1943 17.1651 10.9431 -24.4941 TIMING: 4108600 CPU: 13052.8, 0.00323487/step Wall: 13052.8, 0.00323487/step, 0.80099 hours remaining, 237.699219 MB of memory in use. ENERGY: 4108600 3933.4519 20471.1232 14465.2671 260.9751 -202883.3557 2305.3069 0.0000 0.0000 51960.5993 -109486.6322 298.6183 -161447.2315 -109118.0680 299.2954 -119.2061 -91.3977 760864.7366 -5.2493 -5.0987 PRESSURE: 4108800 -137.79 70.3564 141.444 70.3575 -73.6699 59.4222 141.443 59.4225 293.528 GPRESSURE: 4108800 -126.498 111.745 86.475 22.0631 -48.389 16.9639 146.142 87.809 332.275 PRESSAVG: 4108800 59.5228 -30.5242 1.78189 -30.5242 -45.4382 17.8122 1.78189 17.8123 -12.9234 GPRESSAVG: 4108800 59.2431 -29.4393 0.283896 -29.9998 -47.1352 18.127 4.21805 18.0218 -11.5333 TIMING: 4108800 CPU: 13053.4, 0.00327979/step Wall: 13053.4, 0.00327979/step, 0.81193 hours remaining, 237.699219 MB of memory in use. ENERGY: 4108800 4014.6056 20500.3581 14425.0115 234.5944 -203675.9451 2671.2457 0.0000 0.0000 52014.4747 -109815.6551 298.9279 -161830.1297 -109448.3204 298.8769 27.3560 52.4628 761653.7314 0.3871 0.1915 PRESSURE: 4109000 36.4195 83.9508 111.654 83.9511 153.616 222.162 111.654 222.162 -51.1886 GPRESSURE: 4109000 23.8862 -44.6367 18.1812 -15.9739 210.888 117.826 84.7624 108.749 -6.21545 PRESSAVG: 4109000 43.9919 -11.8735 -15.9129 -11.8735 -51.9934 -30.3755 -15.9129 -30.3756 2.8885 GPRESSAVG: 4109000 43.6639 -11.8692 -16.1179 -14.304 -50.8614 -31.1963 -18.578 -28.8851 2.06361 TIMING: 4109000 CPU: 13054.1, 0.00324977/step Wall: 13054.1, 0.00324977/step, 0.804319 hours remaining, 237.699219 MB of memory in use. ENERGY: 4109000 4040.4294 20437.0308 14350.7137 244.4469 -203620.6382 2697.1538 0.0000 0.0000 52086.0384 -109764.8252 299.3392 -161850.8636 -109400.1468 298.6456 46.2821 76.1863 762672.4991 -1.7043 -1.7113 PRESSURE: 4109200 27.8609 82.4168 27.1746 82.4165 -172.531 -76.8544 27.1739 -76.8538 -331.296 GPRESSURE: 4109200 87.3272 -17.4964 -20.6958 15.4259 -162.785 -95.1353 -43.1926 112.58 -326.076 PRESSAVG: 4109200 27.3976 -15.2623 11.5221 -15.2623 18.1065 18.4044 11.522 18.4043 4.53528 GPRESSAVG: 4109200 29.2028 -16.868 10.2051 -14.2737 17.5697 18.0492 14.0455 19.8853 3.85909 TIMING: 4109200 CPU: 13054.7, 0.00327708/step Wall: 13054.7, 0.00327708/step, 0.810894 hours remaining, 237.699219 MB of memory in use. ENERGY: 4109200 4042.8423 20432.7610 14346.4024 243.1482 -203624.4263 2643.0061 0.0000 0.0000 52143.3816 -109772.8848 299.6687 -161916.2663 -109401.6220 298.2179 -158.6554 -133.8448 762119.0658 16.6798 16.8772 PRESSURE: 4109400 -128.225 -137.189 26.3922 -137.189 -289.717 206.71 26.393 206.709 -307.506 GPRESSURE: 4109400 -33.5644 -76.813 58.355 -236.017 -319.255 219.035 -25.9726 150.206 -291.193 PRESSAVG: 4109400 53.0649 -27.0236 -26.4786 -27.0236 -59.9209 12.7048 -26.4786 12.7049 -9.82853 GPRESSAVG: 4109400 53.1729 -26.038 -23.7969 -27.263 -60.2577 14.6382 -26.722 8.25151 -9.63252 TIMING: 4109400 CPU: 13055.4, 0.00326153/step Wall: 13055.4, 0.00326153/step, 0.806867 hours remaining, 237.699219 MB of memory in use. ENERGY: 4109400 3960.9075 20534.5057 14423.6154 241.9154 -202995.3764 2311.7502 0.0000 0.0000 52007.0484 -109515.6338 298.8852 -161522.6822 -109149.2021 298.5869 -241.8160 -214.6708 762973.8955 -5.5615 -5.5724 PRESSURE: 4109600 278.141 39.3288 -279.666 39.3298 66.509 203.013 -279.667 203.014 62.5634 GPRESSURE: 4109600 196.538 -14.2486 -268.452 154.924 117.715 84.524 -198.46 154.609 160.047 PRESSAVG: 4109600 -19.3302 -30.3399 -24.1174 -30.3399 35.5764 -6.58151 -24.1174 -6.58142 23.5532 GPRESSAVG: 4109600 -20.0332 -30.6717 -23.3983 -29.2166 36.4276 -7.4015 -25.3687 -7.48025 23.2289 TIMING: 4109600 CPU: 13056, 0.00323261/step Wall: 13056, 0.00323261/step, 0.799531 hours remaining, 237.699219 MB of memory in use. ENERGY: 4109600 3972.7641 20691.5863 14465.6894 236.4798 -203778.6809 2943.2496 0.0000 0.0000 52107.5612 -109361.3506 299.4629 -161468.9118 -109000.5490 298.9298 135.7379 158.0998 761507.3085 13.2665 13.2078 PRESSURE: 4109800 163.951 169.934 -23.7597 169.934 -33.9829 223.717 -23.7601 223.717 280.135 GPRESSURE: 4109800 183.171 243.336 41.2753 123.478 47.8662 252.083 -29.2439 119.264 250.235 PRESSAVG: 4109800 50.3563 -60.9488 -24.1881 -60.9488 -14.9386 11.9246 -24.1881 11.9246 35.446 GPRESSAVG: 4109800 50.3738 -60.8387 -25.9717 -63.3741 -14.9506 12.2868 -23.7585 14.2373 35.579 TIMING: 4109800 CPU: 13056.7, 0.00329115/step Wall: 13056.7, 0.00329115/step, 0.813828 hours remaining, 237.699219 MB of memory in use. ENERGY: 4109800 3974.4785 20688.4855 14412.0367 251.7686 -203207.3659 2582.5041 0.0000 0.0000 52085.6088 -109212.4837 299.3367 -161298.0924 -108854.7164 299.7754 136.7013 160.4238 761935.1343 23.6212 23.6674 PRESSURE: 4110000 56.6741 -115.819 126.518 -115.819 304.709 -57.8195 126.518 -57.8195 145.113 GPRESSURE: 4110000 117.353 15.3262 260.002 -46.3947 288.404 -28.7266 0.609817 -77.6029 196.756 PRESSAVG: 4110000 117.709 -16.4316 6.66388 -16.4316 -71.4708 3.08843 6.6639 3.08841 -17.9702 GPRESSAVG: 4110000 117.941 -15.1414 7.46718 -14.694 -71.9172 3.494 7.68722 3.59896 -18.0774 TIMING: 4110000 CPU: 13057.3, 0.00323904/step Wall: 13057.3, 0.00323904/step, 0.800763 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4110000 3946.3035 20599.0872 14402.4750 234.7744 -203668.2365 2874.9130 0.0000 0.0000 52323.2532 -109287.4301 300.7025 -161610.6833 -108923.9407 299.9205 168.8319 200.8376 761811.5438 9.4226 9.3154 PRESSURE: 4110200 -196.762 181.227 247.067 181.227 -312.417 4.13311 247.068 4.13339 -164.741 GPRESSURE: 4110200 -185.412 82.1737 264.079 30.1967 -197.483 52.3753 266.44 42.4815 -185.171 PRESSAVG: 4110200 -9.37556 -32.2406 -16.0415 -32.2406 -0.886122 16.4963 -16.0416 16.4963 -4.78061 GPRESSAVG: 4110200 -9.36199 -31.1942 -17.1953 -33.2926 -0.875504 15.9953 -18.1664 18.2297 -4.6191 TIMING: 4110200 CPU: 13058, 0.00335971/step Wall: 13058, 0.00335971/step, 0.830409 hours remaining, 237.699219 MB of memory in use. ENERGY: 4110200 3977.8238 20339.9786 14418.5522 258.1531 -203086.9000 2455.1155 0.0000 0.0000 52301.5951 -109335.6818 300.5780 -161637.2769 -108956.7174 299.6998 -224.6401 -189.3553 762933.7322 -5.0141 -4.9522 PRESSURE: 4110400 -69.4909 -122.965 -167.223 -122.965 -395.534 30.2063 -167.223 30.2059 -156.428 GPRESSURE: 4110400 19.7234 -108.73 -93.4601 -81.4292 -374.839 52.9127 -21.1041 16.6613 -172.464 PRESSAVG: 4110400 34.8055 -44.133 -22.6679 -44.1329 -53.3049 33.4131 -22.668 33.4131 0.636724 GPRESSAVG: 4110400 35.9147 -44.5067 -21.2026 -45.4309 -53.1897 32.9617 -22.7818 30.6414 -0.31805 TIMING: 4110400 CPU: 13058.7, 0.00325213/step Wall: 13058.7, 0.00325213/step, 0.803637 hours remaining, 237.699219 MB of memory in use. ENERGY: 4110400 4074.8142 20710.3513 14344.5077 267.5278 -203063.9606 2397.2789 0.0000 0.0000 51990.9015 -109278.5792 298.7924 -161269.4807 -108922.8236 299.2081 -207.1512 -175.8599 762787.1330 -5.9542 -5.8643 PRESSURE: 4110600 245.269 -84.655 212.43 -84.6548 -318.844 -111.075 212.43 -111.076 -88.8353 GPRESSURE: 4110600 166.211 -87.1724 214.669 -30.2726 -158.804 -125.194 101.385 -121.607 -85.5059 PRESSAVG: 4110600 42.4629 -51.1793 -71.1604 -51.1793 -11.6085 -7.90655 -71.1604 -7.90663 7.34006 GPRESSAVG: 4110600 40.8443 -52.888 -71.5899 -48.5047 -11.4116 -8.13533 -71.0753 -7.10718 8.3142 TIMING: 4110600 CPU: 13059.3, 0.00323395/step Wall: 13059.3, 0.00323395/step, 0.798965 hours remaining, 237.699219 MB of memory in use. ENERGY: 4110600 3946.9426 20519.0644 14460.4745 221.1980 -203042.9446 2473.6498 0.0000 0.0000 52333.2903 -109088.3250 300.7601 -161421.6153 -108732.6596 299.9836 -54.1369 -26.0330 761613.6326 12.7315 12.5823 PRESSURE: 4110800 -136.102 85.7567 -361.81 85.7577 -325.747 -127.606 -361.809 -127.606 -0.617972 GPRESSURE: 4110800 -154.628 65.5383 -364.673 63.8099 -226.516 -159.653 -364.604 -167.385 -6.29997 PRESSAVG: 4110800 11.4497 -33.7823 -12.9013 -33.7824 -25.0286 -6.67242 -12.9012 -6.67245 -34.1859 GPRESSAVG: 4110800 13.0096 -33.4633 -15.6567 -33.8576 -26.0049 -8.10139 -11.8384 -6.74348 -35.1744 TIMING: 4110800 CPU: 13059.9, 0.00323949/step Wall: 13059.9, 0.00323949/step, 0.800154 hours remaining, 237.699219 MB of memory in use. ENERGY: 4110800 3968.6626 20579.4886 14408.2061 258.5318 -203410.5382 2779.2879 0.0000 0.0000 52240.9623 -109175.3990 300.2295 -161416.3613 -108807.4692 300.0746 -154.1557 -129.1481 762194.9084 -15.9216 -16.0565 PRESSURE: 4111000 537.173 -34.3263 91.5352 -34.3265 194.431 -197.308 91.5361 -197.308 320.839 GPRESSURE: 4111000 630.645 -109.05 128.667 -99.9348 202.361 -146.291 158.33 -143.87 312.662 PRESSAVG: 4111000 3.53982 24.118 -26.1582 24.1181 -15.3119 -25.1497 -26.1582 -25.1497 9.2587 GPRESSAVG: 4111000 2.53984 24.6608 -23.7964 23.7325 -14.6617 -23.9384 -26.6584 -23.9966 9.16629 TIMING: 4111000 CPU: 13060.6, 0.00323052/step Wall: 13060.6, 0.00323052/step, 0.797758 hours remaining, 237.699219 MB of memory in use. ENERGY: 4111000 4064.5435 20575.0897 14390.0614 246.8604 -203570.9230 2840.6482 0.0000 0.0000 52000.4966 -109453.2232 298.8476 -161453.7198 -109092.1573 299.9034 350.8141 381.8891 761740.2348 -0.8378 -0.9852 PRESSURE: 4111200 34.2171 103.556 186.457 103.556 78.5845 36.6963 186.457 36.6966 517.166 GPRESSURE: 4111200 165.548 26.542 140.234 15.3405 92.8481 69.4146 204.683 80.8856 476.934 PRESSAVG: 4111200 42.5727 -2.39883 1.17065 -2.39887 -49.0129 -30.1854 1.17065 -30.1853 -7.59031 GPRESSAVG: 4111200 44.0547 -1.82864 1.30787 -2.19662 -50.2275 -30.5012 1.47714 -29.1831 -7.16778 TIMING: 4111200 CPU: 13061.2, 0.00323024/step Wall: 13061.2, 0.00323024/step, 0.797511 hours remaining, 237.699219 MB of memory in use. ENERGY: 4111200 3967.9800 20720.0599 14363.1081 250.6422 -203550.0351 2680.3165 0.0000 0.0000 52201.4448 -109366.4836 300.0024 -161567.9284 -109008.5100 299.6150 209.9893 245.1100 761568.5198 -4.6768 -4.4468 PRESSURE: 4111400 169.005 134.691 102.892 134.69 350.379 -144.594 102.891 -144.593 426.493 GPRESSURE: 4111400 156.922 -8.4727 147.57 36.8745 421.599 -218.621 77.1396 -129.344 460.91 PRESSAVG: 4111400 36.156 -5.35758 -9.88288 -5.35753 5.75397 18.1198 -9.88284 18.1197 -24.0069 GPRESSAVG: 4111400 35.9115 -6.59661 -10.6277 -5.54964 6.74283 18.4714 -9.94829 16.7375 -24.325 TIMING: 4111400 CPU: 13061.9, 0.00334642/step Wall: 13061.9, 0.00334642/step, 0.826008 hours remaining, 237.699219 MB of memory in use. ENERGY: 4111400 4025.8306 20591.3519 14489.5116 243.4805 -203741.9876 2990.3936 0.0000 0.0000 52022.8590 -109378.5603 298.9761 -161401.4193 -109022.3445 299.1599 315.2923 346.4769 760553.5662 5.9677 6.1098 PRESSURE: 4111600 -144.079 142.154 -33.4728 142.155 305.441 195.996 -33.4722 195.994 -102.385 GPRESSURE: 4111600 -103.861 211.215 -1.69771 244.243 273.532 94.2863 -95.1628 178.12 -33.7674 PRESSAVG: 4111600 -7.36165 -21.8055 -35.5784 -21.8056 -4.07048 -7.18103 -35.5784 -7.18109 0.0148285 GPRESSAVG: 4111600 -8.43768 -19.6014 -37.3381 -23.3142 -3.47348 -8.03662 -35.2524 -8.39725 0.2927 TIMING: 4111600 CPU: 13062.6, 0.00346752/step Wall: 13062.6, 0.00346752/step, 0.855707 hours remaining, 237.699219 MB of memory in use. ENERGY: 4111600 3981.5741 20551.5988 14364.0535 242.5812 -203779.2483 2919.1549 0.0000 0.0000 52220.0973 -109500.1886 300.1096 -161720.2858 -109134.8910 299.4189 19.6589 45.3010 760818.6490 -3.8058 -3.8728 PRESSURE: 4111800 36.3498 -225.884 -125.443 -225.883 -172.878 -102.929 -125.444 -102.929 270.475 GPRESSURE: 4111800 150.884 -245.162 -36.215 -134.932 -144.5 -54.8946 -111.077 -69.5164 221.272 PRESSAVG: 4111800 21.7217 0.653456 -76.0391 0.653431 -8.93426 -3.26068 -76.0391 -3.26066 10.3198 GPRESSAVG: 4111800 22.1054 -1.57018 -73.4461 3.12887 -10.3101 -1.51615 -79.3354 -2.98284 11.5871 TIMING: 4111800 CPU: 13063.2, 0.003213/step Wall: 13063.2, 0.003213/step, 0.79272 hours remaining, 237.699219 MB of memory in use. ENERGY: 4111800 4038.3238 20492.7878 14387.9343 235.7524 -203482.4339 2514.7572 0.0000 0.0000 52337.7512 -109475.1272 300.7858 -161812.8785 -109107.7004 299.5377 44.6491 75.8852 762664.8620 7.7024 7.7941 PRESSURE: 4112000 159.251 -69.259 -2.55943 -69.2603 -73.5633 0.615805 -2.56083 0.615123 223.487 GPRESSURE: 4112000 143.688 -15.9558 -2.91297 19.5303 27.8791 15.2581 -7.24769 31.8077 232.872 PRESSAVG: 4112000 -22.3594 6.80631 -33.6816 6.80634 -8.96639 -5.53407 -33.6816 -5.53417 -14.0418 GPRESSAVG: 4112000 -22.7675 7.9154 -35.5917 5.50823 -7.221 -4.8762 -31.43 -5.54813 -15.7218 TIMING: 4112000 CPU: 13063.9, 0.00345808/step Wall: 13063.9, 0.00345808/step, 0.852993 hours remaining, 237.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4112000 4034.8816 20563.2542 14468.9451 234.6524 -203728.2211 2937.8206 0.0000 0.0000 52043.3444 -109445.3228 299.0938 -161488.6672 -109086.0488 299.4551 103.0581 134.8133 762290.5221 -15.1226 -15.2368 PRESSURE: 4112200 -122.144 -15.4909 208.61 -15.4904 -17.9534 35.8705 208.61 35.8701 -268.33 GPRESSURE: 4112200 -36.4243 126.959 233.328 113.331 -68.5328 101.859 50.028 -66.5623 -212.168 PRESSAVG: 4112200 -18.8716 -26.9818 -1.18548 -26.9818 -0.750178 -16.0353 -1.18548 -16.0354 5.1785 GPRESSAVG: 4112200 -18.3602 -26.8196 -0.995833 -27.0022 -2.24591 -16.9184 -1.56123 -15.2694 6.08611 TIMING: 4112200 CPU: 13064.6, 0.0032529/step Wall: 13064.6, 0.0032529/step, 0.802202 hours remaining, 237.699219 MB of memory in use. ENERGY: 4112200 4024.1446 20595.1496 14383.8654 211.5694 -203684.4973 2631.3916 0.0000 0.0000 52191.4299 -109646.9468 299.9449 -161838.3768 -109297.7098 299.1871 -136.1425 -105.7082 762718.3139 -4.8144 -4.8400 LDB: ============= START OF LOAD BALANCING ============== 13077 LDB: ============== END OF LOAD BALANCING =============== 13077 LDB: =============== DONE WITH MIGRATION ================ 13077 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13077.3 LDB: Largest compute 7055 load 0.034818 is 17.1% of average load 0.203986 LDB: Average compute 0.004434 is 2.2% of average load 0.203986 LDB: TIME 13077.3 LOAD: AVG 0.203986 MAX 0.227858 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 13077.3 LOAD: AVG 0.203986 MAX 0.227858 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: TIME 13077.3 LOAD: AVG 0.203986 MAX 0.227466 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: ============== END OF LOAD BALANCING =============== 13077.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13077.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 4112400 -181.162 -253.309 -172.108 -253.309 -231.966 157.343 -172.108 157.344 46.668 GPRESSURE: 4112400 -89.2762 -239.654 -180.418 -184.881 -224.792 55.6571 -198.222 268.081 50.5652 PRESSAVG: 4112400 54.1338 -80.9207 -52.4595 -80.9207 -35.909 -9.82602 -52.4595 -9.826 -0.842285 GPRESSAVG: 4112400 53.9786 -80.904 -50.0314 -80.5721 -36.7751 -9.14103 -51.9045 -9.43295 -0.200272 TIMING: 4112400 CPU: 13065.3, 0.00330769/step Wall: 13065.3, 0.00330769/step, 0.81553 hours remaining, 239.441406 MB of memory in use. ENERGY: 4112400 4024.5711 20580.1222 14387.5973 259.1904 -203580.5107 2754.4326 0.0000 0.0000 51951.0964 -109623.5008 298.5637 -161574.5972 -109260.6346 299.2728 -122.1533 -87.8344 762770.2345 5.7942 5.6677 PRESSURE: 4112600 58.5436 254.364 -78.5176 254.363 -80.5771 201.106 -78.5184 201.107 162.351 GPRESSURE: 4112600 92.9883 98.9106 -137.975 161.612 -52.4867 194.838 0.130994 109.196 168.647 PRESSAVG: 4112600 0.719925 -38.9766 -61.118 -38.9767 -57.3662 57.001 -61.1181 57.0011 1.6832 GPRESSAVG: 4112600 0.600232 -39.5234 -63.5428 -40.2954 -55.0614 55.6185 -60.9255 57.8823 -0.105254 TIMING: 4112600 CPU: 13065.9, 0.00321416/step Wall: 13065.9, 0.00321416/step, 0.79229 hours remaining, 239.441406 MB of memory in use. ENERGY: 4112600 4015.5655 20598.6579 14353.5731 247.2815 -203753.1929 2867.7526 0.0000 0.0000 52131.5430 -109538.8193 299.6007 -161670.3623 -109178.6899 298.8210 46.7727 69.7163 761788.5240 -18.3210 -18.1888 PRESSURE: 4112800 19.7204 132.865 -275.635 132.865 403.148 -112.154 -275.635 -112.154 -219.871 GPRESSURE: 4112800 64.706 153.354 -248.703 158.891 388.471 -93.3322 -191.545 -57.4789 -174.649 PRESSAVG: 4112800 44.9613 -0.694833 -53.8899 -0.69487 -34.3122 -25.7062 -53.8899 -25.7061 -9.33321 GPRESSAVG: 4112800 43.998 -0.178138 -52.4858 0.703974 -35.4126 -23.9003 -54.1846 -26.479 -7.52369 TIMING: 4112800 CPU: 13066.5, 0.00321934/step Wall: 13066.5, 0.00321934/step, 0.793388 hours remaining, 239.441406 MB of memory in use. ENERGY: 4112800 3978.8828 20385.4850 14395.0390 248.5027 -203276.4688 2816.6857 0.0000 0.0000 51982.6026 -109469.2710 298.7447 -161451.8736 -109105.1175 299.4748 67.6660 92.8424 761476.6056 0.4386 0.3539 PRESSURE: 4113000 -273.032 120.175 -149.331 120.175 130.344 129.624 -149.33 129.623 -73.78 GPRESSURE: 4113000 -222.083 82.8402 -156.24 7.19605 96.4796 164.335 20.4603 29.757 12.5882 PRESSAVG: 4113000 -27.575 -38.2451 -72.9181 -38.2451 -21.7774 54.4071 -72.9182 54.4071 16.2146 GPRESSAVG: 4113000 -27.5012 -37.7981 -74.1114 -40.5035 -20.183 54.2774 -71.1487 53.9152 14.4027 TIMING: 4113000 CPU: 13067.2, 0.0032282/step Wall: 13067.2, 0.0032282/step, 0.795392 hours remaining, 239.441406 MB of memory in use. ENERGY: 4113000 3994.4901 20527.2201 14493.2820 240.6430 -203428.3402 2578.9456 0.0000 0.0000 51836.5812 -109757.1783 297.9055 -161593.7595 -109400.2113 298.8689 -72.1558 -37.6716 762430.1743 -11.0459 -11.0938 PRESSURE: 4113200 152.556 16.2002 9.50459 16.1997 -219.109 -87.8959 9.50478 -87.8965 -1.06428 GPRESSURE: 4113200 196.14 93.7652 -79.8064 30.9162 -197.461 -16.7228 101.934 -28.7462 26.2981 PRESSAVG: 4113200 -48.9098 -47.6631 -32.5952 -47.6631 8.69494 8.76152 -32.5952 8.76149 8.84027 GPRESSAVG: 4113200 -48.5082 -47.7836 -33.1111 -46.9739 9.32901 8.86483 -32.8162 8.72492 7.50059 TIMING: 4113200 CPU: 13067.8, 0.00321611/step Wall: 13067.8, 0.00321611/step, 0.792234 hours remaining, 239.441406 MB of memory in use. ENERGY: 4113200 4013.9323 20338.0325 14448.7441 225.2539 -203573.7537 2719.8868 0.0000 0.0000 52201.3474 -109626.5565 300.0019 -161827.9040 -109266.6911 298.7230 -22.5393 8.3255 762255.6668 -10.4582 -10.5595 PRESSURE: 4113400 -31.59 25.0426 179.073 25.0427 262.541 -168.756 179.074 -168.756 187.712 GPRESSURE: 4113400 101.457 -4.78391 156.942 -58.3302 157.855 -168.178 155.52 -67.0953 242.481 PRESSAVG: 4113400 -4.03773 -20.787 29.822 -20.7869 71.3568 10.2637 29.8219 10.2637 15.1946 GPRESSAVG: 4113400 -4.6544 -21.015 31.5235 -21.341 69.4257 9.83205 27.9764 9.96245 17.9946 TIMING: 4113400 CPU: 13068.5, 0.00323731/step Wall: 13068.5, 0.00323731/step, 0.797279 hours remaining, 239.441406 MB of memory in use. ENERGY: 4113400 3982.3552 20607.8542 14379.4984 237.4695 -203456.6970 2592.8703 0.0000 0.0000 52024.0699 -109632.5796 298.9830 -161656.6494 -109276.9415 299.1296 139.5543 167.2642 759690.2044 27.5046 27.5886 PRESSURE: 4113600 223.974 -132.081 -66.4434 -132.082 57.3337 140.499 -66.4437 140.498 77.4148 GPRESSURE: 4113600 186.685 -144.306 2.79942 -264.311 171.614 4.82582 28.4289 195.937 65.2568 PRESSAVG: 4113600 70.104 -53.8147 41.2927 -53.8147 -11.895 -54.8475 41.2928 -54.8475 -4.80483 GPRESSAVG: 4113600 70.2199 -54.7342 39.376 -54.0663 -11.0904 -56.7179 42.263 -54.2571 -5.71277 TIMING: 4113600 CPU: 13069.1, 0.00324285/step Wall: 13069.1, 0.00324285/step, 0.798462 hours remaining, 239.441406 MB of memory in use. ENERGY: 4113600 3933.7850 20638.0294 14510.2248 238.9700 -203874.6254 2850.0706 0.0000 0.0000 51845.6907 -109857.8549 297.9579 -161703.5456 -109509.5609 298.8682 119.5741 141.1851 759078.8627 17.8014 17.8056 PRESSURE: 4113800 -249.423 -9.51537 -212.714 -9.51574 485.601 -57.8162 -212.714 -57.8168 -176.309 GPRESSURE: 4113800 -63.5723 -121.012 -176.177 -17.8148 411.557 -19.6418 -244.739 1.14959 -199.375 PRESSAVG: 4113800 15.8756 17.6627 -6.66028 17.6627 -27.6301 -31.413 -6.66022 -31.4131 -6.38869 GPRESSAVG: 4113800 15.8942 19.0239 -5.71444 16.883 -27.9084 -28.8517 -7.35832 -31.5513 -6.12185 TIMING: 4113800 CPU: 13069.8, 0.00338591/step Wall: 13069.8, 0.00338591/step, 0.833499 hours remaining, 239.441406 MB of memory in use. ENERGY: 4113800 3963.0715 20527.7396 14390.3237 245.1591 -203439.0053 2592.2004 0.0000 0.0000 51852.7046 -109867.8065 297.9982 -161720.5111 -109518.1768 299.1679 19.9565 49.5367 759983.6019 -6.0477 -6.0453 PRESSURE: 4114000 87.3413 -22.6935 -19.4581 -22.6931 -33.6511 45.5913 -19.4587 45.5916 205.369 GPRESSURE: 4114000 122.748 -14.2209 -22.5531 -50.6974 3.4806 -30.3422 -90.4564 -2.82911 219.431 PRESSAVG: 4114000 49.1424 -42.5058 44.966 -42.5058 -46.2019 40.4114 44.966 40.4113 -10.1584 GPRESSAVG: 4114000 50.1361 -43.6791 44.7755 -41.8027 -45.4328 38.9096 44.1099 42.456 -11.64 TIMING: 4114000 CPU: 13070.5, 0.00343439/step Wall: 13070.5, 0.00343439/step, 0.845242 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 3874.5630 20702.3529 14429.1931 236.5280 -203829.7596 2922.7119 0.0000 0.0000 51946.3114 -109718.0994 298.5362 -161664.4108 -109364.8130 298.8576 86.3532 115.2196 760725.2398 -2.4060 -2.3123 PRESSURE: 4114200 -468.799 -32.0347 -65.3562 -32.0344 -8.02392 -189.733 -65.3554 -189.732 -79.7624 GPRESSURE: 4114200 -367.806 -79.096 -109.187 -23.695 -14.4263 -102.333 21.0139 -33.077 -85.4684 PRESSAVG: 4114200 -40.3504 -22.9639 -13.4789 -22.9639 18.7465 0.27891 -13.4788 0.278964 1.21745 GPRESSAVG: 4114200 -39.9895 -24.6415 -14.007 -19.7378 17.098 1.11738 -12.1743 -1.19432 2.93372 TIMING: 4114200 CPU: 13071.2, 0.00332337/step Wall: 13071.2, 0.00332337/step, 0.817733 hours remaining, 239.441406 MB of memory in use. ENERGY: 4114200 4031.5241 20500.3277 14358.2378 230.8095 -203188.9874 2418.9097 0.0000 0.0000 51982.5161 -109666.6625 298.7442 -161649.1786 -109301.5663 298.6889 -185.5283 -155.9002 762213.3579 -6.7955 -6.6526 PRESSURE: 4114400 -60.9162 31.6675 -180.016 31.6671 257.774 12.547 -180.015 12.5478 -344.8 GPRESSURE: 4114400 -52.5768 -5.68111 -207.532 -66.7139 262.852 70.7908 -114.214 191.164 -273.723 PRESSAVG: 4114400 2.1617 -51.2287 -50.1616 -51.2288 -19.9419 -29.344 -50.1616 -29.344 6.68821 GPRESSAVG: 4114400 1.10963 -51.9005 -50.9377 -52.1113 -19.808 -29.2993 -48.0085 -28.9541 7.40661 TIMING: 4114400 CPU: 13071.8, 0.00333165/step Wall: 13071.8, 0.00333165/step, 0.819586 hours remaining, 239.441406 MB of memory in use. ENERGY: 4114400 4001.6157 20464.3634 14330.2194 256.9142 -203919.6885 2844.8925 0.0000 0.0000 52222.0071 -109799.6761 300.1206 -162021.6832 -109437.6631 298.9980 -49.3141 -21.1493 760102.4801 -3.6973 -3.7639 PRESSURE: 4114600 40.2371 56.8821 -25.3118 56.882 -97.5561 -196.404 -25.3121 -196.403 -248.937 GPRESSURE: 4114600 15.0048 -24.1646 50.3556 122.022 -49.9245 -126.781 -38.3988 -188.387 -166.204 PRESSAVG: 4114600 49.7161 -11.9923 -14.127 -11.9922 -5.42127 21.6726 -14.1271 21.6725 30.7219 GPRESSAVG: 4114600 48.2605 -9.73006 -13.3665 -13.118 -4.09533 21.4057 -15.9902 21.6317 30.6758 TIMING: 4114600 CPU: 13072.6, 0.00376139/step Wall: 13072.6, 0.00376139/step, 0.925094 hours remaining, 239.441406 MB of memory in use. ENERGY: 4114600 4081.8851 20627.3339 14310.2741 235.9850 -203900.9863 2775.4803 0.0000 0.0000 51980.9724 -109889.0555 298.7354 -161870.0279 -109525.4195 299.2184 -102.0853 -67.0411 760926.5337 25.0056 24.9470 PRESSURE: 4114800 -386.687 -104.236 -305.974 -104.234 -341.209 -121.913 -305.974 -121.913 -501.506 GPRESSURE: 4114800 -399.299 -86.7395 -396.694 -75.0587 -277.482 -219.596 -112.988 -76.7072 -469.259 PRESSAVG: 4114800 -14.7979 0.490963 -37.4755 0.490979 -4.74058 4.33647 -37.4755 4.33648 -11.0521 GPRESSAVG: 4114800 -13.0196 -0.45926 -37.3074 0.993774 -5.48025 2.76546 -35.7173 4.36926 -12.2455 TIMING: 4114800 CPU: 13073.2, 0.00333313/step Wall: 13073.2, 0.00333313/step, 0.81958 hours remaining, 239.441406 MB of memory in use. ENERGY: 4114800 3984.4451 20568.4469 14377.5786 237.3622 -203428.8839 2325.2130 0.0000 0.0000 52007.9534 -109927.8847 298.8904 -161935.8380 -109555.9207 298.9229 -409.8008 -382.0134 761197.6512 -10.1969 -10.2485 PRESSURE: 4115000 -48.5366 200.481 133.509 200.481 -124.06 -101.939 133.509 -101.939 -180.251 GPRESSURE: 4115000 -53.5681 188.978 119.668 190.586 -115.181 -177.172 186.25 -45.7633 -125.221 PRESSAVG: 4115000 41.4896 10.886 -43.4531 10.8861 -17.5901 -1.18357 -43.4531 -1.18365 -5.50383 GPRESSAVG: 4115000 41.0541 11.8986 -42.9179 10.2305 -16.3153 0.629058 -46.3807 -1.86151 -6.15254 TIMING: 4115000 CPU: 13073.9, 0.00343162/step Wall: 13073.9, 0.00343162/step, 0.843606 hours remaining, 239.441406 MB of memory in use. ENERGY: 4115000 3955.9919 20618.7567 14313.1139 257.6996 -203372.5711 2504.1885 0.0000 0.0000 52057.3508 -109665.4697 299.1743 -161722.8206 -109303.2744 298.8039 -117.6157 -97.9898 760523.4742 6.1319 6.1954 PRESSURE: 4115200 67.0518 108.776 -32.2203 108.777 172.85 314.687 -32.2206 314.688 186.023 GPRESSURE: 4115200 24.0274 24.7898 29.6859 61.7137 296.324 278.513 98.59 220.277 190.12 PRESSAVG: 4115200 7.35349 3.45903 33.1462 3.45906 -3.49536 4.98535 33.1461 4.98531 -10.2599 GPRESSAVG: 4115200 9.41638 3.41169 33.5099 5.49387 -4.53689 4.35716 34.3619 4.29615 -11.2852 TIMING: 4115200 CPU: 13074.6, 0.0035442/step Wall: 13074.6, 0.0035442/step, 0.871086 hours remaining, 239.441406 MB of memory in use. ENERGY: 4115200 4009.0200 20463.4663 14444.7708 247.8177 -203471.2544 2755.2648 0.0000 0.0000 51961.7793 -109589.1354 298.6251 -161550.9147 -109229.2375 299.1556 141.9749 170.1573 761911.7132 -2.1339 -2.1352 PRESSURE: 4115400 114.31 67.4344 128.015 67.4338 98.2151 21.8182 128.015 21.8175 201.026 GPRESSURE: 4115400 174.418 69.0417 156.037 0.752095 86.7557 -86.1712 118.64 149.552 255.699 PRESSAVG: 4115400 -19.8523 59.4317 44.3917 59.4317 -14.4852 -13.7663 44.3917 -13.7664 -13.6618 GPRESSAVG: 4115400 -22.8411 56.7678 43.8885 59.9713 -12.7906 -14.0865 44.8009 -12.5979 -12.4204 TIMING: 4115400 CPU: 13075.3, 0.00336546/step Wall: 13075.3, 0.00336546/step, 0.826967 hours remaining, 239.441406 MB of memory in use. ENERGY: 4115400 4000.2738 20553.6027 14392.8634 258.0227 -203349.9895 2652.3391 0.0000 0.0000 51953.4722 -109539.4156 298.5773 -161492.8878 -109182.6387 299.1968 137.8501 172.2909 761519.1272 -15.9998 -16.0174 PRESSURE: 4115600 124.328 111.553 2.46912 111.553 69.7684 -325.235 2.46878 -325.235 447.543 GPRESSURE: 4115600 215.682 78.2861 -15.9402 55.0665 103.484 -274.133 -73.2774 -355.791 424.042 PRESSAVG: 4115600 51.0822 -24.3407 33.5517 -24.3407 -48.8249 -15.8376 33.5517 -15.8375 17.5946 GPRESSAVG: 4115600 52.2935 -20.5642 34.6087 -27.1104 -49.4381 -14.37 34.0324 -16.2363 17.2459 TIMING: 4115600 CPU: 13076, 0.00328107/step Wall: 13076, 0.00328107/step, 0.806049 hours remaining, 239.441406 MB of memory in use. ENERGY: 4115600 3927.9503 20398.7577 14398.4203 264.6979 -203930.1984 3094.6051 0.0000 0.0000 52009.2257 -109836.5414 298.8977 -161845.7671 -109472.7758 298.7680 213.8798 247.7363 761327.9429 6.6173 6.7004 PRESSURE: 4115800 111.173 183.179 96.009 183.18 68.9693 52.8494 96.0089 52.8491 69.3758 GPRESSURE: 4115800 141.286 73.3485 106.747 118.521 139.073 77.7776 79.4271 79.9068 57.0191 PRESSAVG: 4115800 16.6024 -31.2224 25.41 -31.2224 -58.6319 -42.9944 25.4101 -42.9944 8.02862 GPRESSAVG: 4115800 17.9695 -31.8719 25.3172 -30.0856 -58.9925 -42.6637 24.8893 -43.9303 7.29221 TIMING: 4115800 CPU: 13076.6, 0.00334212/step Wall: 13076.6, 0.00334212/step, 0.820861 hours remaining, 239.441406 MB of memory in use. ENERGY: 4115800 4013.4711 20474.8833 14360.0661 243.8528 -203672.5536 2923.1454 0.0000 0.0000 51883.3437 -109773.7912 298.1743 -161657.1349 -109419.1437 298.3462 83.1728 112.4594 761536.2852 -11.3336 -11.2436 PRESSURE: 4116000 -173.898 38.5098 18.4495 38.5089 -268.483 -93.4691 18.4503 -93.4694 402.96 GPRESSURE: 4116000 -160.609 57.303 110.081 27.8723 -223.201 -159.224 13.6448 -186.54 441.318 PRESSAVG: 4116000 47.5548 -1.96861 21.1099 -1.96864 -72.1371 -9.08934 21.1099 -9.08935 21.4998 GPRESSAVG: 4116000 46.0107 -0.654514 21.0502 -3.00276 -71.3767 -9.92875 18.9932 -10.6436 22.7742 TIMING: 4116000 CPU: 13077.3, 0.00324894/step Wall: 13077.3, 0.00324894/step, 0.797795 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4116000 4038.4643 20542.8650 14428.6639 240.8545 -203424.3973 2776.8966 0.0000 0.0000 51748.2844 -109648.3686 297.3981 -161396.6530 -109301.0185 298.8353 -13.1404 19.1694 761949.8644 -1.0275 -0.8639 PRESSURE: 4116200 324.246 75.8971 -24.1971 75.8972 -98.8298 19.697 -24.1971 19.6975 -445.5 GPRESSURE: 4116200 395.794 131.127 -210.821 176.698 -146.988 95.3566 138.197 -39.823 -384.402 PRESSAVG: 4116200 20.0022 12.3643 -24.5142 12.3643 -22.9961 -9.2719 -24.5142 -9.27183 -22.9341 GPRESSAVG: 4116200 20.0902 10.6727 -25.8132 13.3174 -22.521 -10.7811 -22.9617 -7.34372 -22.918 TIMING: 4116200 CPU: 13077.9, 0.00323429/step Wall: 13077.9, 0.00323429/step, 0.794018 hours remaining, 239.441406 MB of memory in use. ENERGY: 4116200 4037.4550 20604.9894 14356.7279 242.4039 -203373.8167 2671.7083 0.0000 0.0000 51995.5205 -109465.0116 298.8190 -161460.5321 -109112.7253 298.7437 -73.3611 -45.1990 762786.3214 -8.6427 -8.4496 LDB: ============= START OF LOAD BALANCING ============== 13090.3 LDB: ============== END OF LOAD BALANCING =============== 13090.3 LDB: =============== DONE WITH MIGRATION ================ 13090.3 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13090.7 LDB: Largest compute 7068 load 0.036999 is 18.2% of average load 0.203257 LDB: Average compute 0.004459 is 2.2% of average load 0.203257 LDB: TIME 13090.7 LOAD: AVG 0.203257 MAX 0.227315 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.277 MB LDB: TIME 13090.7 LOAD: AVG 0.203257 MAX 0.227315 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.277 MB LDB: TIME 13090.7 LOAD: AVG 0.203257 MAX 0.226374 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.277 MB LDB: ============== END OF LOAD BALANCING =============== 13090.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13090.7 Info: useSync: 0 useProxySync: 0 PRESSURE: 4116400 292.905 -41.9258 -146.077 -41.926 -196.436 -2.0803 -146.076 -2.07957 390.842 GPRESSURE: 4116400 215.386 25.6751 -110.827 -11.8547 -41.1217 -5.22944 -118.086 18.5499 407.338 PRESSAVG: 4116400 61.1344 8.99299 -7.57344 8.99302 -26.6138 -23.7212 -7.57343 -23.7213 11.959 GPRESSAVG: 4116400 61.7384 8.95787 -6.23575 8.83992 -26.3535 -23.8539 -7.703 -24.9463 11.2267 TIMING: 4116400 CPU: 13078.6, 0.00329283/step Wall: 13078.6, 0.00329283/step, 0.808206 hours remaining, 238.101562 MB of memory in use. ENERGY: 4116400 3986.2971 20446.0116 14416.3732 228.3372 -203383.0916 2617.6092 0.0000 0.0000 52102.5971 -109585.8663 299.4343 -161688.4634 -109223.8856 299.5551 162.4369 193.8675 761415.0984 15.4932 15.5372 PRESSURE: 4116600 237.164 65.8673 -112.9 65.8671 180.929 10.2136 -112.9 10.2138 256.455 GPRESSURE: 4116600 310.872 -12.8815 -171.128 82.522 154.09 -54.4888 21.4402 -27.7755 301.747 PRESSAVG: 4116600 68.7731 20.8369 -20.5007 20.8369 -45.9562 38.9212 -20.5008 38.9213 -5.97432 GPRESSAVG: 4116600 68.5184 20.5136 -19.9128 20.9548 -46.9545 40.1732 -18.5943 38.6365 -5.19586 TIMING: 4116600 CPU: 13079.2, 0.00324147/step Wall: 13079.2, 0.00324147/step, 0.79542 hours remaining, 238.101562 MB of memory in use. ENERGY: 4116600 4030.8085 20542.7680 14294.4699 261.2716 -203421.6175 2428.1759 0.0000 0.0000 52349.7766 -109514.3471 300.8549 -161864.1237 -109151.7732 299.6227 224.8495 255.5693 760394.1416 5.6142 5.4560 PRESSURE: 4116800 -417.36 -62.7953 -210.247 -62.7949 -470.029 -221.934 -210.246 -221.934 -242.938 GPRESSURE: 4116800 -385.641 -125.174 -284.573 -112.221 -435.024 -230.111 -215.665 -191.248 -218.006 PRESSAVG: 4116800 20.8106 14.7438 -56.0062 14.7438 3.45565 20.4745 -56.0063 20.4746 1.52122 GPRESSAVG: 4116800 21.6519 13.7051 -56.1507 14.6768 3.09011 21.0461 -58.171 24.2167 0.915199 TIMING: 4116800 CPU: 13079.9, 0.0032467/step Wall: 13079.9, 0.0032467/step, 0.796523 hours remaining, 238.101562 MB of memory in use. ENERGY: 4116800 4015.8314 20712.8952 14285.9008 263.9604 -202860.1426 1969.6547 0.0000 0.0000 52093.8053 -109518.0948 299.3838 -161611.9001 -109156.2480 299.3676 -376.7754 -346.2235 761836.6415 8.5958 8.5524 PRESSURE: 4117000 -30.8113 -105.515 -111.379 -105.514 125.725 -202.592 -111.379 -202.593 75.2249 GPRESSURE: 4117000 12.3349 -39.9727 -188.392 -140.532 154.022 -119.052 -68.0875 -340.91 86.2454 PRESSAVG: 4117000 30.4944 0.652809 -21.3092 0.652811 -33.5258 44.5127 -21.3093 44.5127 -3.76388 GPRESSAVG: 4117000 29.6058 1.19394 -21.5938 -0.207105 -33.6887 43.7026 -19.5828 43.9805 -2.78251 TIMING: 4117000 CPU: 13080.5, 0.00324078/step Wall: 13080.5, 0.00324078/step, 0.794891 hours remaining, 238.101562 MB of memory in use. ENERGY: 4117000 4049.7426 20565.1580 14302.3317 264.9108 -203725.6966 2984.3934 0.0000 0.0000 52063.5961 -109495.5639 299.2102 -161559.1600 -109138.0733 299.4060 56.7130 84.2009 763051.8378 -2.2651 -2.2885 PRESSURE: 4117200 0.479461 173.482 57.7814 173.481 220.34 86.1494 57.7816 86.1499 86.0212 GPRESSURE: 4117200 43.2925 159.936 58.0145 159.278 268.805 77.8862 81.175 44.6614 78.9335 PRESSAVG: 4117200 -10.8154 44.2633 -1.10276 44.2633 11.1692 -2.26079 -1.10276 -2.26084 7.889 GPRESSAVG: 4117200 -10.1446 44.4042 -2.11907 44.5246 11.2899 -3.45276 -0.781365 -4.97857 7.40655 TIMING: 4117200 CPU: 13081.2, 0.00323/step Wall: 13081.2, 0.00323/step, 0.792068 hours remaining, 238.101562 MB of memory in use. ENERGY: 4117200 4028.8864 20521.1308 14374.8890 239.6933 -203676.5729 2834.5481 0.0000 0.0000 52285.5029 -109391.9225 300.4855 -161677.4254 -109027.2663 299.3937 102.2803 130.3436 760376.4292 2.7476 2.8506 PRESSURE: 4117400 -211.163 -46.547 -152.411 -46.5469 -56.2378 -75.6351 -152.41 -75.6341 -307.96 GPRESSURE: 4117400 -170.218 -13.4869 -231.526 -22.5606 -26.8789 -17.0468 -166.95 1.87949 -285.756 PRESSAVG: 4117400 -45.8259 -5.70296 -49.1177 -5.70299 46.9504 9.94311 -49.1177 9.94308 2.39869 GPRESSAVG: 4117400 -45.9215 -6.36171 -47.5332 -3.1972 46.4112 10.7083 -48.9653 11.96 2.45662 TIMING: 4117400 CPU: 13081.8, 0.00322963/step Wall: 13081.8, 0.00322963/step, 0.791797 hours remaining, 238.101562 MB of memory in use. ENERGY: 4117400 3961.4453 20536.2313 14381.8877 248.0249 -202768.2665 2145.7634 0.0000 0.0000 52252.8145 -109242.0993 300.2976 -161494.9138 -108882.9152 300.4021 -191.7867 -160.9510 762184.7982 1.1744 0.9821 PRESSURE: 4117600 -84.6555 -123.345 78.229 -123.345 -187.393 204.977 78.2289 204.977 -55.2073 GPRESSURE: 4117600 -110.128 -57.5303 19.632 -36.4204 -81.1606 79.6835 73.4293 78.2476 -55.1892 PRESSAVG: 4117600 -41.0794 16.6383 -20.4908 16.6384 -3.3558 -31.4 -20.4908 -31.3999 13.0076 GPRESSAVG: 4117600 -42.5373 16.1091 -20.6803 15.0656 -2.82035 -30.5388 -21.4591 -33.2675 13.7831 TIMING: 4117600 CPU: 13082.5, 0.00324221/step Wall: 13082.5, 0.00324221/step, 0.794702 hours remaining, 238.101562 MB of memory in use. ENERGY: 4117600 4011.1320 20496.9150 14397.8253 249.2571 -203395.1421 2622.2730 0.0000 0.0000 52312.6867 -109305.0530 300.6417 -161617.7397 -108936.6868 300.1973 -109.0852 -82.1593 760379.1863 -10.4759 -10.5249 PRESSURE: 4117800 -405.252 -93.9353 -165.082 -93.9355 -156.851 -146.419 -165.083 -146.417 -198.307 GPRESSURE: 4117800 -394.215 -163.249 -20.4346 -39.7937 -137.876 -91.9803 -242.982 -102.762 -152.7 PRESSAVG: 4117800 -39.5383 -8.49579 -34.1129 -8.49579 38.1445 -8.07848 -34.113 -8.0785 7.05257 GPRESSAVG: 4117800 -37.048 -7.15904 -37.394 -8.6874 36.92 -8.55923 -34.3479 -5.7176 5.47694 TIMING: 4117800 CPU: 13083.1, 0.00323391/step Wall: 13083.1, 0.00323391/step, 0.792488 hours remaining, 238.101562 MB of memory in use. ENERGY: 4117800 4034.9343 20698.1974 14426.5057 226.7901 -203139.3826 2446.4933 0.0000 0.0000 52029.2732 -109277.1886 299.0129 -161306.4618 -108927.6910 300.2550 -253.4700 -228.2635 761598.7842 1.8862 1.7830 PRESSURE: 4118000 -11.5129 151.779 -59.642 151.778 -41.4024 113.379 -59.6414 113.379 -72.8702 GPRESSURE: 4118000 -13.8642 109.784 -46.1821 133.276 12.659 149.351 -57.558 125.642 -35.2173 PRESSAVG: 4118000 -17.6072 -38.5644 -49.0472 -38.5644 -27.9931 6.214 -49.0472 6.21399 2.05615 GPRESSAVG: 4118000 -18.3571 -38.2786 -47.5382 -36.3694 -26.7447 7.17023 -47.1566 5.38337 1.75947 TIMING: 4118000 CPU: 13083.8, 0.00350667/step Wall: 13083.8, 0.00350667/step, 0.859134 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4118000 4075.9458 20641.8623 14344.2742 251.4546 -203269.2799 2649.8358 0.0000 0.0000 52030.6469 -109275.2604 299.0208 -161305.9073 -108905.8582 299.8261 -41.9285 -12.1408 761129.8864 -14.5147 -14.4474 PRESSURE: 4118200 153.019 57.0258 -266.152 57.0258 136.207 125.754 -266.152 125.754 255.714 GPRESSURE: 4118200 139.333 -7.88185 -242.706 140.132 216.99 74.3374 -273.882 179.591 253.297 PRESSAVG: 4118200 -18.6295 21.6443 -2.11173 21.6444 6.9977 38.2459 -2.11181 38.246 -0.941679 GPRESSAVG: 4118200 -18.9972 20.4896 -1.22623 22.2163 7.24921 37.4174 -2.07101 37.4732 -0.184166 TIMING: 4118200 CPU: 13084.5, 0.00324295/step Wall: 13084.5, 0.00324295/step, 0.794343 hours remaining, 238.101562 MB of memory in use. ENERGY: 4118200 4001.1705 20682.7011 14325.3084 244.4051 -203117.1905 2504.8929 0.0000 0.0000 52208.1792 -109150.5333 300.0411 -161358.7126 -108793.4714 300.2542 181.6466 203.2067 761864.4149 -4.1912 -3.9774 PRESSURE: 4118400 60.9851 -32.4864 -51.0814 -32.4862 -454.047 -1.91866 -51.0809 -1.91771 15.8077 GPRESSURE: 4118400 61.0521 -10.2858 -26.4602 -43.5482 -345.565 -3.78774 143.722 -34.792 28.1695 PRESSAVG: 4118400 -8.59975 -0.606179 -3.24564 -0.606188 37.1733 -53.3385 -3.24566 -53.3385 -17.08 GPRESSAVG: 4118400 -8.68723 0.18934 -4.39558 -3.34029 37.8021 -53.9178 -5.52118 -52.6497 -17.4364 TIMING: 4118400 CPU: 13085.1, 0.003262/step Wall: 13085.1, 0.003262/step, 0.798828 hours remaining, 238.101562 MB of memory in use. ENERGY: 4118400 3999.0082 20593.3819 14377.7461 236.4020 -202906.9161 2551.1550 0.0000 0.0000 52175.0581 -108974.1648 299.8508 -161149.2229 -108616.6412 300.3251 -125.7513 -85.4476 761590.5075 3.8312 3.8928 PRESSURE: 4118600 105.333 102.558 -256.63 102.557 -111.158 -1.93617 -256.631 -1.93598 -576.781 GPRESSURE: 4118600 31.0429 108.341 -171.422 180.966 -9.47249 45.5847 -58.5575 36.6926 -523.655 PRESSAVG: 4118600 -17.1942 -1.07707 -0.136242 -1.07706 5.81514 -9.67912 -0.136288 -9.67904 -19.7654 GPRESSAVG: 4118600 -18.3773 -1.10819 0.435846 1.32913 6.30868 -8.40237 1.568 -9.50502 -19.3486 TIMING: 4118600 CPU: 13085.8, 0.00324265/step Wall: 13085.8, 0.00324265/step, 0.793908 hours remaining, 238.101562 MB of memory in use. ENERGY: 4118600 3977.7376 20784.6844 14387.1198 252.6061 -203222.5023 2561.3961 0.0000 0.0000 52086.7603 -109172.1981 299.3433 -161258.9583 -108813.0198 300.1820 -194.2019 -167.3614 762202.3523 -10.3815 -10.4724 PRESSURE: 4118800 -153.878 -10.2794 432.659 -10.2788 -111.799 207.224 432.659 207.224 -256.456 GPRESSURE: 4118800 17.178 -43.9335 379.352 -38.8467 -139.872 223.842 407.299 170.235 -319.373 PRESSAVG: 4118800 17.9801 2.73275 6.08064 2.73281 -34.2641 5.42602 6.0807 5.42609 16.7175 GPRESSAVG: 4118800 19.5635 3.08418 5.83039 0.662962 -36.2679 6.06239 5.3104 4.37881 17.0955 TIMING: 4118800 CPU: 13086.4, 0.0032397/step Wall: 13086.4, 0.0032397/step, 0.793006 hours remaining, 238.101562 MB of memory in use. ENERGY: 4118800 4049.2683 20649.6871 14353.8604 254.9726 -203156.5897 2383.4223 0.0000 0.0000 52093.7169 -109371.6621 299.3833 -161465.3790 -109004.5614 300.0461 -174.0443 -147.3558 761192.9557 0.1445 0.1304 PRESSURE: 4119000 106.334 208.804 -17.6906 208.803 18.7839 132.51 -17.6901 132.511 64.3068 GPRESSURE: 4119000 30.4913 216.269 -72.8005 117.419 65.6636 153.603 -0.186568 142.362 172.473 PRESSAVG: 4119000 -8.04104 32.5589 20.2735 32.5589 20.2723 38.2797 20.2735 38.2797 -4.99316 GPRESSAVG: 4119000 -8.96592 33.0091 21.0357 31.1006 22.0863 36.8215 18.5244 41.407 -5.68734 TIMING: 4119000 CPU: 13087.1, 0.00342152/step Wall: 13087.1, 0.00342152/step, 0.837322 hours remaining, 238.101562 MB of memory in use. ENERGY: 4119000 4063.5375 20689.2524 14357.1332 273.1366 -203234.1468 2659.3871 0.0000 0.0000 51925.4422 -109266.2577 298.4162 -161191.6999 -108900.6574 299.6911 63.1416 89.5425 761469.7223 2.4127 2.4777 PRESSURE: 4119200 19.6379 54.2211 -132.695 54.2212 -121.293 -50.5987 -132.696 -50.5978 -200.948 GPRESSURE: 4119200 30.5923 99.1981 -188.79 105.637 -89.2633 -36.4622 -40.5381 5.83673 -160.731 PRESSAVG: 4119200 -55.2465 27.3437 18.3203 27.3436 28.9482 23.1837 18.3204 23.1838 -2.84963 GPRESSAVG: 4119200 -55.2414 26.0915 20.5846 27.4995 27.865 21.537 19.1408 21.6239 -1.47015 TIMING: 4119200 CPU: 13087.8, 0.00325125/step Wall: 13087.8, 0.00325125/step, 0.795471 hours remaining, 238.101562 MB of memory in use. ENERGY: 4119200 4014.4247 20656.3572 14417.8479 260.2058 -203393.7388 2565.0831 0.0000 0.0000 52439.2529 -109040.5673 301.3691 -161479.8201 -108681.6641 300.5656 -100.8678 -73.1340 760231.5611 -9.7160 -9.6155 PRESSURE: 4119400 101.127 236.744 8.69268 236.744 161.359 -150.261 8.6927 -150.262 -69.3303 GPRESSURE: 4119400 61.7156 222.626 -9.92433 215.274 245.616 -118.364 213.652 -80.6992 -15.8335 PRESSAVG: 4119400 -58.8369 17.1585 54.0759 17.1585 29.6669 64.1968 54.0759 64.1968 9.13284 GPRESSAVG: 4119400 -57.0905 16.6167 49.7986 18.4678 29.8872 67.189 55.3948 62.3692 7.88555 TIMING: 4119400 CPU: 13088.4, 0.00323842/step Wall: 13088.4, 0.00323841/step, 0.792152 hours remaining, 238.101562 MB of memory in use. ENERGY: 4119400 4066.1491 20666.2477 14362.5925 248.8874 -203084.6686 2604.6829 0.0000 0.0000 52038.9273 -109097.1818 299.0684 -161136.1091 -108739.9155 300.3234 64.3852 97.1659 761549.5386 -6.6790 -6.4392 PRESSURE: 4119600 -114.025 -162.356 -56.7542 -162.356 -4.29877 -137.765 -56.7545 -137.764 110.04 GPRESSURE: 4119600 11.9536 -176.149 -60.3362 -49.3279 -9.8419 -105.554 -77.0999 -200.102 55.7359 PRESSAVG: 4119600 -1.52045 24.6811 -2.18012 24.6812 33.8067 19.7839 -2.18013 19.7839 18.2793 GPRESSAVG: 4119600 -0.920153 24.3586 -1.18407 25.3018 33.2483 19.5412 -1.38751 20.8155 18.5461 TIMING: 4119600 CPU: 13089.1, 0.00335831/step Wall: 13089.1, 0.00335831/step, 0.821293 hours remaining, 238.101562 MB of memory in use. ENERGY: 4119600 3926.2723 20710.8685 14406.8135 262.1053 -203455.1911 2700.9583 0.0000 0.0000 52171.2253 -109276.9479 299.8287 -161448.1732 -108914.4282 300.1478 -2.7612 19.2825 760876.8366 16.8552 16.9581 PRESSURE: 4119800 106.974 48.9395 112.209 48.9387 395.647 99.6994 112.209 99.6999 -123.204 GPRESSURE: 4119800 134.737 71.884 82.6853 -83.5107 296.184 177.07 40.2482 116.394 44.7754 PRESSAVG: 4119800 -57.4337 -2.01453 -3.25253 -2.01452 39.873 32.1749 -3.25248 32.1749 -0.593371 GPRESSAVG: 4119800 -57.7908 -1.60205 -2.28479 -3.06287 40.1756 32.8807 -5.96518 33.7853 -0.211066 TIMING: 4119800 CPU: 13089.7, 0.00339109/step Wall: 13089.7, 0.00339109/step, 0.829122 hours remaining, 238.101562 MB of memory in use. ENERGY: 4119800 4017.3052 20647.4395 14399.4873 239.7692 -203167.7673 2565.6593 0.0000 0.0000 52059.0471 -109239.0596 299.1841 -161298.1067 -108887.7257 299.8225 126.4722 158.5654 760807.1001 -6.0513 -5.9421 PRESSURE: 4120000 -506.736 -202.707 154.811 -202.706 160.794 73.1536 154.81 73.1543 -47.2404 GPRESSURE: 4120000 -415.877 -249.862 151.884 -164.711 166.876 25.1339 184.228 32.2997 -60.6922 PRESSAVG: 4120000 -43.1836 4.73111 -26.2732 4.73104 47.7559 -10.5166 -26.2733 -10.5166 -3.00199 GPRESSAVG: 4120000 -43.7121 5.19949 -26.4106 4.7087 48.6361 -11.0251 -24.5008 -13.3573 -3.8571 TIMING: 4120000 CPU: 13090.4, 0.00324705/step Wall: 13090.4, 0.00324705/step, 0.793724 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4120000 4086.7931 20506.9478 14405.2555 235.6999 -203414.7860 2712.5616 0.0000 0.0000 52272.7829 -109194.7453 300.4124 -161467.5282 -108839.8573 300.2320 -131.0607 -103.2310 760791.6233 0.5234 0.3556 PRESSURE: 4120200 -181.191 -186.557 -126.981 -186.557 -43.4138 -88.115 -126.981 -88.1157 -247.286 GPRESSURE: 4120200 -146.399 -160.847 -238.743 -208.418 32.0425 -20.9038 -50.6433 47.7067 -268.277 PRESSAVG: 4120200 53.371 -31.8401 10.1806 -31.8401 -6.33931 12.8309 10.1807 12.8308 28.6346 GPRESSAVG: 4120200 53.3055 -34.2329 10.2403 -30.4564 -5.90256 12.6635 9.97388 13.7996 28.3206 TIMING: 4120200 CPU: 13091.1, 0.0033431/step Wall: 13091.1, 0.0033431/step, 0.817017 hours remaining, 238.101562 MB of memory in use. ENERGY: 4120200 3985.9946 20516.6472 14353.3083 246.4513 -203094.1975 2438.0037 0.0000 0.0000 52337.6956 -109216.0969 300.7855 -161553.7925 -108840.9982 300.4261 -157.2967 -127.5445 761374.8245 25.2221 25.2412 LDB: ============= START OF LOAD BALANCING ============== 13103.5 LDB: ============== END OF LOAD BALANCING =============== 13103.5 LDB: =============== DONE WITH MIGRATION ================ 13103.5 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13103.8 LDB: Largest compute 7034 load 0.033169 is 16.3% of average load 0.203890 LDB: Average compute 0.004437 is 2.2% of average load 0.203890 LDB: TIME 13103.8 LOAD: AVG 0.20389 MAX 0.226654 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13103.8 LOAD: AVG 0.20389 MAX 0.226654 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 13103.8 LOAD: AVG 0.20389 MAX 0.226654 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 13103.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13103.8 Info: useSync: 0 useProxySync: 0 PRESSURE: 4120400 -311.885 -58.1026 -95.8723 -58.1024 80.5285 -274.57 -95.8723 -274.569 -241.407 GPRESSURE: 4120400 -278.445 -23.3916 -46.1179 -15.1266 99.8635 -243.964 -214.584 -282.472 -217.044 PRESSAVG: 4120400 -10.1107 -32.1757 -10.5564 -32.1757 69.3731 -43.6609 -10.5563 -43.661 -8.84771 GPRESSAVG: 4120400 -9.59684 -30.156 -11.7272 -32.0853 67.9579 -43.3801 -10.2686 -41.831 -8.20063 TIMING: 4120400 CPU: 13091.8, 0.00343579/step Wall: 13091.8, 0.00343579/step, 0.839478 hours remaining, 237.640625 MB of memory in use. ENERGY: 4120400 3958.2807 20595.2499 14313.3035 241.0870 -203000.7965 2244.3841 0.0000 0.0000 52250.2526 -109398.2386 300.2829 -161648.4912 -109037.9280 299.7404 -157.5880 -131.8752 760079.0958 16.8049 16.7201 PRESSURE: 4120600 -429.306 62.9287 -81.9212 62.929 -129.301 -45.1131 -81.9206 -45.1123 -170.394 GPRESSURE: 4120600 -395.413 -14.4459 -71.3277 -67.2385 -76.2939 47.004 55.4712 -127.029 -159.056 PRESSAVG: 4120600 -18.2395 -6.02157 -18.6489 -6.02151 30.5216 -33.2383 -18.6489 -33.2383 -10.8404 GPRESSAVG: 4120600 -19.4804 -9.49609 -18.6654 -5.4699 30.8499 -32.4064 -16.9187 -36.351 -9.76665 TIMING: 4120600 CPU: 13092.4, 0.00324147/step Wall: 13092.4, 0.00324147/step, 0.791819 hours remaining, 237.640625 MB of memory in use. ENERGY: 4120600 3979.6764 20753.2106 14309.3365 238.3509 -203124.3663 2260.8962 0.0000 0.0000 52214.1774 -109368.7183 300.0756 -161582.8957 -109009.0655 299.6836 -243.0001 -210.2544 760050.9653 0.4806 0.5343 PRESSURE: 4120800 -98.0015 155.829 -108.316 155.829 -208.296 -181.539 -108.316 -181.54 -276.535 GPRESSURE: 4120800 -46.9796 145.85 -264.048 64.7255 -168.458 -163.052 24.0762 -105.758 -262.732 PRESSAVG: 4120800 33.3624 -10.2323 -53.5526 -10.2322 17.2812 11.5748 -53.5526 11.5747 -11.3216 GPRESSAVG: 4120800 33.2807 -7.8101 -54.031 -13.1088 17.6792 10.5192 -54.9927 13.7556 -11.4546 TIMING: 4120800 CPU: 13093, 0.00322137/step Wall: 13093, 0.00322137/step, 0.78673 hours remaining, 237.640625 MB of memory in use. ENERGY: 4120800 4046.3669 20610.8574 14434.7336 243.4985 -203283.3200 2531.0315 0.0000 0.0000 52072.7027 -109344.1295 299.2625 -161416.8322 -108987.6869 299.7500 -194.2776 -159.3897 761621.2873 13.1073 13.1684 PRESSURE: 4121000 -77.3471 170.415 247.87 170.415 86.0338 -85.5689 247.871 -85.5691 -147.878 GPRESSURE: 4121000 -13.7048 248.654 254.201 58.532 49.0867 1.8758 285.452 -95.3007 -107.46 PRESSAVG: 4121000 -1.06296 39.567 -18.1432 39.5669 14.4147 38.8716 -18.1432 38.8717 -7.93616 GPRESSAVG: 4121000 -0.447358 40.1986 -15.1805 41.2071 14.3399 38.9299 -18.0159 38.8273 -7.97837 TIMING: 4121000 CPU: 13093.7, 0.00322027/step Wall: 13093.7, 0.00322027/step, 0.786282 hours remaining, 237.640625 MB of memory in use. ENERGY: 4121000 4090.7377 20523.3868 14444.4928 233.9803 -203201.4051 2510.2106 0.0000 0.0000 52105.9489 -109292.6481 299.4536 -161398.5970 -108920.2973 299.6826 -46.3970 -24.0261 761092.6994 1.8052 1.9714 PRESSURE: 4121200 42.0952 -187.672 -106.372 -187.672 -96.3619 187.3 -106.373 187.3 -389.507 GPRESSURE: 4121200 38.3562 -90.9956 -29.3877 -110.692 52.4204 170.597 2.74036 115.733 -418.68 PRESSAVG: 4121200 23.48 25.6285 34.1986 25.6284 25.0034 49.0968 34.1985 49.0968 -1.42396 GPRESSAVG: 4121200 23.9696 25.7837 30.8106 26.1201 24.6235 50.9043 36.2175 47.5542 -1.42543 TIMING: 4121200 CPU: 13094.3, 0.00324709/step Wall: 13094.3, 0.00324709/step, 0.79265 hours remaining, 237.640625 MB of memory in use. ENERGY: 4121200 3995.3784 20581.8227 14417.2250 245.1463 -203385.1169 2524.2677 0.0000 0.0000 52250.1921 -109371.0847 300.2826 -161621.2768 -109013.8712 300.1683 -147.9247 -109.3010 762163.2118 15.6865 15.7226 PRESSURE: 4121400 -41.3758 103.659 120.371 103.658 41.7716 127.543 120.37 127.541 161.286 GPRESSURE: 4121400 -74.2553 132.811 -6.4138 76.339 132.632 35.1947 -107.102 95.5907 190.303 PRESSAVG: 4121400 -16.7343 16.2805 9.88012 16.2804 -6.70708 -11.2913 9.88009 -11.2913 4.43109 GPRESSAVG: 4121400 -17.2813 15.4624 11.1234 13.6977 -5.90695 -13.8783 6.89289 -12.14 3.7632 TIMING: 4121400 CPU: 13095, 0.00336602/step Wall: 13095, 0.00336602/step, 0.821495 hours remaining, 237.640625 MB of memory in use. ENERGY: 4121400 4002.8340 20727.2556 14388.7700 249.3958 -203251.1018 2368.4827 0.0000 0.0000 52191.0149 -109323.3487 299.9425 -161514.3636 -108965.5401 299.9128 53.8940 82.8932 759783.8814 -6.3368 -6.4750 PRESSURE: 4121600 -291.175 139.876 319.638 139.876 -236.28 -26.2219 319.638 -26.2217 -87.7409 GPRESSURE: 4121600 -209.31 171.046 257.965 119.153 -187.448 65.0211 285.279 -67.3978 -131.399 PRESSAVG: 4121600 37.1965 21.5785 -33.2414 21.5786 -22.9914 -3.39196 -33.2414 -3.39194 4.43844 GPRESSAVG: 4121600 37.0834 21.6458 -32.8727 24.2625 -23.1368 -2.08316 -32.3484 -0.319807 3.86795 TIMING: 4121600 CPU: 13095.7, 0.00341344/step Wall: 13095.7, 0.00341344/step, 0.832878 hours remaining, 237.640625 MB of memory in use. ENERGY: 4121600 4026.0108 20605.1852 14376.5594 227.7700 -203224.0050 2542.0401 0.0000 0.0000 52185.2287 -109261.2109 299.9092 -161446.4396 -108899.0107 299.9927 -205.0654 -176.0522 762733.4053 6.2145 5.9382 PRESSURE: 4121800 187.647 -147.526 25.0149 -147.526 169.583 135.526 25.0155 135.527 216.14 GPRESSURE: 4121800 246.054 -208.105 53.4038 -133.194 212.592 -6.77157 -156.425 166.111 194.739 PRESSAVG: 4121800 31.7139 53.4664 12.3126 53.4664 -49.1535 11.6529 12.3127 11.6529 -14.0005 GPRESSAVG: 4121800 30.2449 54.0774 12.5628 54.1192 -48.4794 11.1681 9.73267 11.2328 -13.0869 TIMING: 4121800 CPU: 13096.3, 0.00325547/step Wall: 13096.3, 0.00325547/step, 0.794155 hours remaining, 237.640625 MB of memory in use. ENERGY: 4121800 3942.3095 20560.9412 14364.0039 237.6956 -203064.9859 2661.4249 0.0000 0.0000 52204.1490 -109094.4616 300.0180 -161298.6106 -108725.1488 299.9566 191.1235 217.7952 761318.6537 -10.4800 -10.4405 PRESSURE: 4122000 -197.529 150.465 24.9625 150.465 88.8852 52.7746 24.9625 52.7741 139.555 GPRESSURE: 4122000 -57.9408 119.584 -36.1376 166.994 43.0249 82.4589 59.5426 22.134 131.69 PRESSAVG: 4122000 2.677 -27.1174 -19.544 -27.1174 -3.82014 17.3008 -19.5441 17.3008 5.08987 GPRESSAVG: 4122000 3.28723 -26.8578 -20.3378 -27.8482 -5.08741 16.9523 -18.135 15.9972 5.79745 TIMING: 4122000 CPU: 13097, 0.0032564/step Wall: 13097, 0.0032564/step, 0.794199 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4122000 3994.0674 20485.7859 14421.0816 239.3151 -203181.2813 2403.7452 0.0000 0.0000 52490.7052 -109146.5810 301.6648 -161637.2861 -108771.3021 300.5464 10.3037 38.9246 760660.8658 1.3156 1.3324 PRESSURE: 4122200 125.751 63.6168 -302.72 63.6157 170.471 62.8175 -302.719 62.8177 153.441 GPRESSURE: 4122200 111.259 117.315 -348.835 152.934 257.597 77.4188 -209.951 -13.5248 152.429 PRESSAVG: 4122200 -45.1934 -32.073 -6.23312 -32.0729 44.4179 18.9302 -6.2331 18.9301 2.903 GPRESSAVG: 4122200 -45.2353 -32.0663 -4.65106 -32.4107 45.186 19.4517 -6.5202 18.8924 1.91173 TIMING: 4122200 CPU: 13097.6, 0.00323652/step Wall: 13097.6, 0.00323652/step, 0.789171 hours remaining, 237.640625 MB of memory in use. ENERGY: 4122200 3971.9674 20517.8505 14376.8870 220.5823 -203354.6107 2788.7732 0.0000 0.0000 52337.6846 -109140.8656 300.7854 -161478.5502 -108782.6822 300.3141 149.8879 173.7615 761091.1397 0.7092 0.6208 PRESSURE: 4122400 35.2961 71.0629 48.6069 71.0625 -217.016 -35.0603 48.6078 -35.0605 -146.357 GPRESSURE: 4122400 -22.0073 -12.0827 62.5593 171.72 -136.698 30.3592 88.1473 -86.6026 -63.6173 PRESSAVG: 4122400 22.4477 28.5829 -30.053 28.5829 27.3811 35.4039 -30.053 35.4039 22.1558 GPRESSAVG: 4122400 22.0209 29.7935 -29.866 27.7895 27.1207 34.3373 -31.2074 34.3296 22.5686 TIMING: 4122400 CPU: 13098.3, 0.00321608/step Wall: 13098.3, 0.00321608/step, 0.784008 hours remaining, 237.640625 MB of memory in use. ENERGY: 4122400 3966.4326 20528.6778 14480.5357 246.9779 -203212.5289 2577.0329 0.0000 0.0000 52376.9977 -109035.8743 301.0113 -161412.8720 -108666.8528 300.6776 -109.3588 -74.1075 761721.3759 23.9948 23.9034 PRESSURE: 4122600 -458.589 43.8767 -173.946 43.8765 -345.501 -72.6748 -173.946 -72.6749 -48.3263 GPRESSURE: 4122600 -355.372 1.28991 -185.401 -2.2915 -363.223 -25.3176 -234.904 -67.7567 -67.8245 PRESSAVG: 4122600 22.2954 7.37919 -7.3119 7.37918 -40.0335 33.685 -7.31187 33.685 19.6903 GPRESSAVG: 4122600 21.205 6.05282 -8.87293 9.15207 -39.255 34.9377 -4.81977 34.8938 20.6657 TIMING: 4122600 CPU: 13098.9, 0.003256/step Wall: 13098.9, 0.00325601/step, 0.793561 hours remaining, 237.640625 MB of memory in use. ENERGY: 4122600 3991.4944 20630.4369 14461.5524 247.7188 -202591.0642 2082.9824 0.0000 0.0000 52259.6500 -108917.2292 300.3369 -161176.8792 -108550.9206 300.1653 -284.1388 -262.1396 761878.0270 0.6507 0.8719 PRESSURE: 4122800 200.499 11.3689 76.9974 11.3687 357.621 -356.701 76.9977 -356.699 234.653 GPRESSURE: 4122800 305.581 22.4761 141.774 15.0629 410.074 -300.912 115.457 -204.222 172.427 PRESSAVG: 4122800 16.0766 44.5187 -14.3938 44.5187 3.40875 0.177261 -14.3938 0.177151 -4.81627 GPRESSAVG: 4122800 17.5743 43.3669 -14.2739 42.5592 1.92013 1.04075 -17.3178 0.906829 -4.90089 TIMING: 4122800 CPU: 13099.6, 0.00326668/step Wall: 13099.6, 0.00326668/step, 0.795981 hours remaining, 237.640625 MB of memory in use. ENERGY: 4122800 3993.3151 20544.7931 14462.1403 249.8920 -202833.5756 2497.2440 0.0000 0.0000 52254.2845 -108831.9065 300.3061 -161086.1911 -108468.9473 300.4338 264.2578 296.0277 761402.9020 4.8897 4.8645 PRESSURE: 4123000 101.631 148.174 6.22102 148.174 118.705 124.779 6.21993 124.779 162.087 GPRESSURE: 4123000 195.786 210.55 16.9441 201.153 84.0414 173.436 -23.1785 88.1241 207.825 PRESSAVG: 4123000 3.4407 3.64241 -4.30125 3.64239 2.78817 37.4342 -4.30125 37.4342 10.0779 GPRESSAVG: 4123000 2.90851 4.01539 -3.40104 5.42588 3.62061 38.0052 -2.54625 35.5604 10.0929 TIMING: 4123000 CPU: 13100.2, 0.00326101/step Wall: 13100.2, 0.00326101/step, 0.794417 hours remaining, 237.640625 MB of memory in use. ENERGY: 4123000 3891.4563 20650.1255 14426.7250 242.9181 -202778.1061 2455.2642 0.0000 0.0000 52261.1776 -108850.4395 300.3457 -161111.6170 -108488.7990 300.3882 127.4742 162.5507 761559.2010 5.4356 5.5407 PRESSURE: 4123200 -137.119 149.223 -318.317 149.223 -72.8915 -132.963 -318.317 -132.964 -246.292 GPRESSURE: 4123200 -122.168 282.642 -188.73 213.186 -43.4075 -136.934 -463.802 -179.193 -203.246 PRESSAVG: 4123200 9.65746 6.19751 -27.3378 6.19756 2.06529 15.0704 -27.3377 15.0704 -0.0223545 GPRESSAVG: 4123200 11.65 6.71328 -27.6625 6.60874 1.50844 12.5505 -26.7317 16.4571 -1.82661 TIMING: 4123200 CPU: 13100.9, 0.00336688/step Wall: 13100.9, 0.00336688/step, 0.820022 hours remaining, 237.640625 MB of memory in use. ENERGY: 4123200 4064.0198 20749.2003 14381.2950 241.0103 -202773.8023 2501.9150 0.0000 0.0000 52103.7877 -108732.5743 299.4412 -160836.3619 -108377.4656 300.7061 -152.1009 -122.9405 760139.3134 3.9001 3.7773 PRESSURE: 4123400 -357.533 -67.4936 -57.1948 -67.4936 -60.2301 47.7841 -57.1941 47.7826 -168.144 GPRESSURE: 4123400 -386.168 -91.2737 -39.303 -112.805 -89.6614 70.0152 20.5079 25.1164 -58.695 PRESSAVG: 4123400 -1.28186 4.94039 -65.3293 4.94036 13.7739 -1.73982 -65.3293 -1.73987 5.0123 GPRESSAVG: 4123400 -1.70505 5.98323 -63.3404 1.33301 13.0399 -1.74134 -67.3683 -0.34431 5.80401 TIMING: 4123400 CPU: 13101.6, 0.00322909/step Wall: 13101.6, 0.00322909/step, 0.786285 hours remaining, 237.640625 MB of memory in use. ENERGY: 4123400 3976.9673 20668.1083 14441.6808 242.4963 -202673.3882 2318.5210 0.0000 0.0000 52386.1256 -108639.4890 301.0638 -161025.6145 -108268.5832 301.0216 -195.3025 -178.1747 762952.1990 5.8348 5.7130 PRESSURE: 4123600 -311.327 -214.563 -81.6098 -214.564 -67.5972 -103.246 -81.6101 -103.246 -103.511 GPRESSURE: 4123600 -182.914 -163.607 -49.9563 -84.1081 -115.242 -94.2098 -73.6209 -47.5897 -103.667 PRESSAVG: 4123600 -5.59304 56.4022 -5.74864 56.4022 0.427128 -12.692 -5.74861 -12.692 39.2038 GPRESSAVG: 4123600 -5.7437 56.9749 -7.73803 58.4579 1.34372 -11.6759 -2.62842 -12.4519 38.3297 TIMING: 4123600 CPU: 13102.2, 0.0032297/step Wall: 13102.2, 0.0032297/step, 0.786253 hours remaining, 237.640625 MB of memory in use. ENERGY: 4123600 3969.6587 20547.5999 14431.4875 249.1437 -203140.1172 2765.0035 0.0000 0.0000 52433.5834 -108743.6405 301.3365 -161177.2239 -108378.6378 300.5257 -160.8117 -133.9408 763251.5647 11.3460 11.3099 PRESSURE: 4123800 -313.977 -216.98 -177.76 -216.98 -316.973 94.0908 -177.76 94.0907 -535.839 GPRESSURE: 4123800 -275.731 -228.366 -128.944 -201.653 -298.507 71.8649 -257.1 94.1009 -491.547 PRESSAVG: 4123800 43.4555 -17.6978 -14.5163 -17.6978 18.066 -3.65008 -14.5164 -3.65006 1.83604 GPRESSAVG: 4123800 44.0118 -17.7549 -14.8216 -18.7629 16.7062 -4.17564 -17.0838 -5.50986 2.72266 TIMING: 4123800 CPU: 13102.9, 0.00325876/step Wall: 13102.9, 0.00325876/step, 0.793146 hours remaining, 237.640625 MB of memory in use. ENERGY: 4123800 3991.0460 20475.2067 14364.4050 240.5392 -202686.4972 2486.4905 0.0000 0.0000 52111.8607 -109016.9492 299.4876 -161128.8098 -108650.4473 300.4621 -388.9298 -355.2618 763623.9994 21.1192 21.1469 PRESSURE: 4124000 -192.009 38.3216 -46.911 38.3213 -131.584 -66.96 -46.9109 -66.9589 75.8987 GPRESSURE: 4124000 -128.289 5.06924 -95.9066 52.4157 -47.2905 -67.9217 101.114 -116.547 18.6792 PRESSAVG: 4124000 -27.9921 -17.8574 -10.0711 -17.8574 44.6063 4.43364 -10.0711 4.43362 27.431 GPRESSAVG: 4124000 -29.115 -18.168 -9.51588 -17.033 45.9397 5.80849 -9.14129 3.33645 26.9355 TIMING: 4124000 CPU: 13103.5, 0.00337191/step Wall: 13103.5, 0.00337191/step, 0.820498 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4124000 4036.0487 20497.2669 14404.4985 229.5647 -203074.3912 2652.1167 0.0000 0.0000 52081.7939 -109173.1019 299.3148 -161254.8958 -108808.6199 299.6169 -82.5647 -52.3001 761379.0475 14.6817 14.5867 PRESSURE: 4124200 -170.737 94.2116 -170.544 94.2117 -405.772 54.6433 -170.544 54.6428 244.252 GPRESSURE: 4124200 -53.8435 136.883 -206.383 120.053 -377.964 57.4781 -36.6536 -3.12763 187.254 PRESSAVG: 4124200 20.1236 37.596 63.3918 37.596 -15.1402 -3.94854 63.3918 -3.94843 -12.1374 GPRESSAVG: 4124200 21.9871 37.592 64.5167 37.527 -16.2853 -4.86357 63.88 -3.02293 -12.7146 TIMING: 4124200 CPU: 13104.2, 0.00350587/step Wall: 13104.2, 0.00350587/step, 0.8529 hours remaining, 237.640625 MB of memory in use. ENERGY: 4124200 3910.1027 20491.3243 14301.7593 244.1603 -202833.3221 2470.9554 0.0000 0.0000 52186.6269 -109228.3932 299.9173 -161415.0201 -108862.8733 299.6952 -110.7522 -81.5179 762262.2353 -2.3847 -2.3376 LDB: ============= START OF LOAD BALANCING ============== 13116.6 LDB: ============== END OF LOAD BALANCING =============== 13116.6 LDB: =============== DONE WITH MIGRATION ================ 13116.6 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13117 LDB: Largest compute 7033 load 0.034554 is 17.0% of average load 0.203084 LDB: Average compute 0.004449 is 2.2% of average load 0.203084 LDB: TIME 13117 LOAD: AVG 0.203084 MAX 0.228412 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.09 MB LDB: TIME 13117 LOAD: AVG 0.203084 MAX 0.228412 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.094 MB LDB: TIME 13117 LOAD: AVG 0.203084 MAX 0.226366 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.094 MB LDB: ============== END OF LOAD BALANCING =============== 13117 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13117 Info: useSync: 0 useProxySync: 0 PRESSURE: 4124400 292.443 28.7838 106.295 28.7832 329.936 -8.9202 106.295 -8.91954 -85.6213 GPRESSURE: 4124400 326.698 84.9264 82.643 20.0682 339.864 120.797 128.945 75.8881 -37.5724 PRESSAVG: 4124400 30.0897 31.5222 10.4948 31.5222 -9.92924 -8.00653 10.4948 -8.00655 -17.6176 GPRESSAVG: 4124400 29.6832 30.8439 9.41298 31.4908 -10.2564 -7.63817 8.67121 -9.03229 -17.1127 TIMING: 4124400 CPU: 13104.9, 0.00329541/step Wall: 13104.9, 0.00329541/step, 0.801516 hours remaining, 239.941406 MB of memory in use. ENERGY: 4124400 3902.8717 20693.9069 14388.8528 234.6392 -203196.0228 2801.5488 0.0000 0.0000 52264.4951 -108909.7085 300.3648 -161174.2035 -108549.8554 300.1103 178.9192 209.6631 760330.5599 0.8476 0.7714 PRESSURE: 4124600 248.348 -102.943 -33.0492 -102.943 197.38 -151.867 -33.0487 -151.869 -108.985 GPRESSURE: 4124600 338.9 -72.1694 -53.0175 8.72538 182.557 -177.961 -120.333 -203.639 -88.3801 PRESSAVG: 4124600 68.2942 -0.659328 -41.955 -0.659326 -28.8364 -43.7685 -41.9551 -43.7684 -9.92119 GPRESSAVG: 4124600 67.3187 0.0668527 -42.3313 -1.38449 -29.119 -44.4704 -40.6647 -41.7578 -8.80036 TIMING: 4124600 CPU: 13105.5, 0.0032251/step Wall: 13105.5, 0.0032251/step, 0.784236 hours remaining, 240.085938 MB of memory in use. ENERGY: 4124600 4004.8232 20509.3857 14353.3770 244.4768 -203165.8268 2670.8979 0.0000 0.0000 52395.1152 -108987.7510 301.1154 -161382.8662 -108623.9913 300.5776 112.2475 144.3589 760752.5868 9.8455 9.7998 PRESSURE: 4124800 282.716 -36.1203 -60.8528 -36.1192 -119.118 76.7591 -60.8521 76.7592 432.409 GPRESSURE: 4124800 390.662 -175.86 -68.2175 -21.1922 -117.981 176.121 181.048 15.8384 402.486 PRESSAVG: 4124800 17.7305 15.5387 -6.10411 15.5387 -20.1131 -18.4647 -6.10405 -18.4647 -7.63982 GPRESSAVG: 4124800 18.1755 15.5596 -5.79548 18.4153 -19.01 -18.6325 -6.49852 -18.6514 -9.20962 TIMING: 4124800 CPU: 13106.3, 0.00354985/step Wall: 13106.3, 0.00354985/step, 0.863009 hours remaining, 240.085938 MB of memory in use. ENERGY: 4124800 3941.6269 20410.2674 14394.7432 245.8883 -202903.9133 2670.1637 0.0000 0.0000 52359.5537 -108881.6703 300.9111 -161241.2240 -108511.2949 300.8480 198.6690 225.0558 761572.9221 -3.3408 -3.3480 PRESSURE: 4125000 201.577 101.543 -76.521 101.543 60.5716 261.673 -76.5211 261.674 -229.239 GPRESSURE: 4125000 196.321 -2.22803 -112.314 148.979 114.684 210.799 -6.89876 183.64 -207.506 PRESSAVG: 4125000 -34.4482 51.4358 -8.20355 51.4358 50.5771 -6.44688 -8.2036 -6.44686 -7.07925 GPRESSAVG: 4125000 -35.1866 50.048 -8.94812 49.7643 50.9625 -5.19212 -6.55131 -7.46739 -6.72118 TIMING: 4125000 CPU: 13106.9, 0.00323271/step Wall: 13106.9, 0.00323271/step, 0.785728 hours remaining, 240.085938 MB of memory in use. ENERGY: 4125000 3988.5163 20590.6305 14296.0326 249.9335 -203068.7760 2545.2668 0.0000 0.0000 52523.5967 -108874.7996 301.8538 -161398.3963 -108511.3099 300.4896 10.9699 34.4996 762157.3523 3.0166 3.0183 PRESSURE: 4125200 -37.6292 -24.9775 -68.1348 -24.9769 173.993 -77.7265 -68.1347 -77.7256 71.3723 GPRESSURE: 4125200 -73.756 76.7945 -39.8964 -71.0712 251.444 -77.6804 -153.166 28.1484 120.717 PRESSAVG: 4125200 -40.8711 8.49283 3.66653 8.4928 15.8368 -52.5097 3.66654 -52.5097 -3.8676 GPRESSAVG: 4125200 -39.7932 10.7292 4.92908 7.48548 15.0661 -53.2823 1.90369 -52.0401 -3.90394 TIMING: 4125200 CPU: 13107.6, 0.00331829/step Wall: 13107.6, 0.00331829/step, 0.806344 hours remaining, 240.085938 MB of memory in use. ENERGY: 4125200 3919.4826 20530.3726 14431.8082 247.5132 -203542.7659 2962.4221 0.0000 0.0000 52394.8224 -109056.3448 301.1138 -161451.1672 -108694.1030 300.7015 69.2453 99.4683 762720.3404 -9.6339 -9.5437 PRESSURE: 4125400 62.9806 -53.7155 187.23 -53.716 -77.0831 8.02797 187.231 8.02812 -110.563 GPRESSURE: 4125400 132.32 83.9312 159.61 -93.873 2.86926 18.5929 306.675 -13.2507 -146.771 PRESSAVG: 4125400 -14.6784 -0.88464 19.7773 -0.884644 -4.27411 24.4605 19.7773 24.4605 -8.85184 GPRESSAVG: 4125400 -14.902 -1.4391 19.3082 0.372472 -3.08888 24.1136 22.318 24.66 -9.77429 TIMING: 4125400 CPU: 13108.2, 0.00328378/step Wall: 13108.2, 0.00328378/step, 0.797776 hours remaining, 240.085938 MB of memory in use. ENERGY: 4125400 3970.5102 20555.8756 14380.8889 253.9449 -203409.4363 2686.5523 0.0000 0.0000 52446.3194 -109115.3450 301.4097 -161561.6644 -108750.6368 300.2391 -41.5551 -3.8607 762604.0415 -9.2681 -9.2551 PRESSURE: 4125600 -538.682 17.8357 -216.317 17.8353 -87.6112 -88.9236 -216.317 -88.9236 176.889 GPRESSURE: 4125600 -514.322 -50.7752 -198.642 36.7544 -88.7163 -64.1287 -164.392 -144.331 215.092 PRESSAVG: 4125600 -10.0883 -17.7636 -9.65002 -17.7636 85.364 -26.6378 -9.65003 -26.6379 17.867 GPRESSAVG: 4125600 -10.9008 -19.3625 -11.3695 -18.3733 85.0181 -25.9644 -10.0406 -26.7267 19.1235 TIMING: 4125600 CPU: 13108.9, 0.00323231/step Wall: 13108.9, 0.00323231/step, 0.785092 hours remaining, 240.085938 MB of memory in use. ENERGY: 4125600 3930.8072 20522.3936 14327.4441 263.2104 -202858.4300 2400.8444 0.0000 0.0000 52315.4072 -109098.3232 300.6574 -161413.7304 -108737.4527 300.4231 -149.8013 -129.3154 763341.3741 31.0476 31.0803 PRESSURE: 4125800 -174.129 141.445 -283.112 141.446 -110.943 -156.363 -283.111 -156.363 -90.8797 GPRESSURE: 4125800 -119.742 63.5139 -321.068 123.232 -99.7213 -139.763 -380.105 -187.172 -71.268 PRESSAVG: 4125800 53.2017 -46.7849 -48.7172 -46.7849 -36.833 -29.5901 -48.7172 -29.5901 -19.1866 GPRESSAVG: 4125800 52.3728 -45.6212 -47.2046 -46.3993 -36.3019 -30.2297 -49.3465 -28.7724 -18.6436 TIMING: 4125800 CPU: 13109.5, 0.00326936/step Wall: 13109.5, 0.00326935/step, 0.793908 hours remaining, 240.085938 MB of memory in use. ENERGY: 4125800 3957.0946 20596.2718 14354.8606 256.1349 -203365.6133 2692.8799 0.0000 0.0000 52151.6476 -109356.7239 299.7162 -161508.3715 -108989.1680 299.8083 -125.3170 -96.9103 763428.6826 -0.9393 -0.8575 PRESSURE: 4126000 -47.175 143.152 61.2808 143.152 -113.575 158.09 61.2806 158.09 -225.279 GPRESSURE: 4126000 42.0549 141.555 -39.6221 0.650236 -184.16 93.6428 114.207 176.709 -145.624 PRESSAVG: 4126000 36.9277 0.746109 2.15076 0.74618 -10.2192 10.4627 2.15078 10.4628 20.4633 GPRESSAVG: 4126000 37.9741 -0.571499 2.26753 -1.24716 -10.0007 10.1127 -1.13623 9.38907 19.1398 TIMING: 4126000 CPU: 13110.2, 0.00331937/step Wall: 13110.2, 0.00331937/step, 0.805869 hours remaining, 240.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4126000 3971.8262 20660.5534 14390.8335 248.0247 -203518.3899 2689.7404 0.0000 0.0000 51980.9922 -109576.4194 298.7355 -161557.4116 -109221.3895 299.3524 -128.6762 -95.9099 763050.4508 15.7239 15.7044 PRESSURE: 4126200 -406.931 146.255 52.0623 146.255 -222.215 -54.271 52.0622 -54.2708 -148.828 GPRESSURE: 4126200 -362.978 46.0372 -17.0348 130.55 -143.122 -12.0984 2.11086 -187.343 -181.179 PRESSAVG: 4126200 35.7198 -56.9664 40.3394 -56.9663 -17.758 -9.14774 40.3393 -9.14772 -8.22979 GPRESSAVG: 4126200 35.2593 -57.4455 40.8568 -53.9102 -18.4783 -9.07289 44.751 -9.01781 -6.77658 TIMING: 4126200 CPU: 13110.8, 0.00321736/step Wall: 13110.8, 0.00321736/step, 0.780925 hours remaining, 240.085938 MB of memory in use. ENERGY: 4126200 4004.1323 20528.4124 14388.1390 231.5085 -202621.1270 2008.8288 0.0000 0.0000 51803.2082 -109656.8979 297.7137 -161460.1060 -109289.1322 298.8931 -259.3245 -229.0928 763487.9143 3.2440 3.3348 PRESSURE: 4126400 -19.9244 -36.9389 123.013 -36.9391 -236.588 -51.8648 123.012 -51.8654 41.2451 GPRESSURE: 4126400 2.19538 15.8381 208.825 82.188 -211.041 -61.7228 35.2622 -84.5879 76.9722 PRESSAVG: 4126400 19.2438 -22.1735 48.2485 -22.1735 17.872 -50.3298 48.2485 -50.3298 4.32238 GPRESSAVG: 4126400 18.5005 -20.8695 46.9274 -24.0364 19.3671 -49.9439 46.4151 -48.5271 3.87138 TIMING: 4126400 CPU: 13111.5, 0.0032233/step Wall: 13111.5, 0.0032233/step, 0.782188 hours remaining, 240.085938 MB of memory in use. ENERGY: 4126400 3962.2688 20571.3253 14447.3579 258.2699 -202883.5181 2376.2537 0.0000 0.0000 51749.7138 -109518.3287 297.4063 -161268.0425 -109172.6336 298.7893 -71.7558 -43.9578 761556.4521 13.8127 13.9130 PRESSURE: 4126600 123.936 89.2915 27.0159 89.2914 -257.324 87.0666 27.0169 87.068 -403.796 GPRESSURE: 4126600 153.481 76.1858 121.988 159.276 -221.163 81.392 32.5609 60.8078 -384.187 PRESSAVG: 4126600 37.5951 -12.35 -2.38968 -12.35 -32.596 28.4693 -2.38968 28.4692 32.4589 GPRESSAVG: 4126600 39.1657 -11.9255 -0.823602 -11.3671 -34.3194 28.5022 -2.3684 25.47 31.9461 TIMING: 4126600 CPU: 13112.1, 0.00316978/step Wall: 13112.1, 0.00316978/step, 0.769023 hours remaining, 240.085938 MB of memory in use. ENERGY: 4126600 4066.3006 20496.1020 14298.5616 230.6002 -203571.6291 2765.1928 0.0000 0.0000 52123.1440 -109591.7278 299.5524 -161714.8718 -109228.0620 299.0056 -179.0615 -150.6229 760148.8890 12.4860 12.2641 PRESSURE: 4126800 -10.7704 -223.249 -37.1091 -223.249 -211.606 114.303 -37.1096 114.305 -6.50886 GPRESSURE: 4126800 -12.1716 -147.496 -32.2678 -255.923 -110.603 180.354 121.842 -4.67904 -35.4111 PRESSAVG: 4126800 22.5988 -71.8688 14.8615 -71.8689 -46.035 -6.32806 14.8616 -6.32805 -39.6809 GPRESSAVG: 4126800 21.9244 -71.7522 14.5221 -72.3186 -45.5021 -6.49348 16.0183 -4.82519 -39.83 TIMING: 4126800 CPU: 13112.7, 0.00318325/step Wall: 13112.7, 0.00318325/step, 0.772114 hours remaining, 240.085938 MB of memory in use. ENERGY: 4126800 4009.2005 20565.2631 14353.7486 232.8586 -203346.5439 2731.0385 0.0000 0.0000 51999.1594 -109455.2752 298.8399 -161454.4346 -109104.0554 299.0570 -76.2950 -52.7287 760801.9065 -21.0391 -21.1359 PRESSURE: 4127000 -125.495 -41.1228 45.2172 -41.1234 -217.698 -4.22009 45.2176 -4.21993 109.917 GPRESSURE: 4127000 -198.096 -76.7431 119.178 26.3776 1.36165 -30.8537 -17.9297 63.3858 47.0289 PRESSAVG: 4127000 18.967 -10.6733 31.5146 -10.6734 11.4439 67.9493 31.5147 67.9493 6.34928 GPRESSAVG: 4127000 19.046 -11.4351 31.2188 -11.587 11.5974 67.4155 32.8198 69.3519 6.03638 TIMING: 4127000 CPU: 13113.4, 0.00316284/step Wall: 13113.4, 0.00316284/step, 0.766988 hours remaining, 240.085938 MB of memory in use. ENERGY: 4127000 4037.6952 20392.5404 14355.6810 222.1956 -203334.9416 2811.1064 0.0000 0.0000 51949.2501 -109566.4728 298.5531 -161515.7229 -109202.6861 299.2201 -77.7586 -49.9019 761476.3250 12.2534 12.2266 PRESSURE: 4127200 -225.995 -171.939 -126.251 -171.938 71.2504 30.3572 -126.252 30.3566 60.3839 GPRESSURE: 4127200 -134.819 -67.037 -147.68 -232.229 152.348 36.5181 10.7862 -37.5419 -34.4411 PRESSAVG: 4127200 8.16785 -18.8553 20.225 -18.8553 13.7494 1.51242 20.225 1.51245 -10.2052 GPRESSAVG: 4127200 8.38813 -16.9755 20.5219 -18.149 13.5128 0.997039 18.4257 1.22214 -10.449 TIMING: 4127200 CPU: 13114, 0.00318861/step Wall: 13114, 0.00318861/step, 0.773061 hours remaining, 240.085938 MB of memory in use. ENERGY: 4127200 3990.2061 20426.7311 14424.3576 252.2811 -202978.1789 2464.7090 0.0000 0.0000 51665.5843 -109754.3099 296.9228 -161419.8941 -109394.2220 298.9310 -31.4534 -5.6373 763193.5821 3.9040 3.8173 PRESSURE: 4127400 211.435 -60.8345 -88.9858 -60.8354 95.4117 55.2046 -88.9865 55.206 62.3584 GPRESSURE: 4127400 208.538 76.2642 -28.7675 -117.375 155.249 38.8727 -2.86178 88.9966 90.1098 PRESSAVG: 4127400 18.6887 17.7576 31.012 17.7576 -5.16188 -28.1454 31.012 -28.1453 -31.1074 GPRESSAVG: 4127400 17.5789 14.2475 31.092 17.8098 -3.64909 -25.9235 31.6589 -30.4488 -31.7282 TIMING: 4127400 CPU: 13114.7, 0.00319556/step Wall: 13114.7, 0.00319556/step, 0.774567 hours remaining, 240.085938 MB of memory in use. ENERGY: 4127400 4035.0566 20430.6889 14432.2159 239.4403 -203469.6305 2775.7162 0.0000 0.0000 52142.4471 -109414.0655 299.6634 -161556.5126 -109053.4383 298.7531 123.0684 151.2989 761674.3661 -5.8602 -5.9328 PRESSURE: 4127600 -10.0109 -50.3233 18.3889 -50.323 -347.677 -89.9398 18.3905 -89.9404 28.8717 GPRESSURE: 4127600 -22.2658 -57.7632 64.9267 157.487 -384.077 -51.3438 11.1469 32.7545 150.921 PRESSAVG: 4127600 6.49546 10.5284 60.8098 10.5284 22.2691 18.0221 60.8098 18.0221 9.38871 GPRESSAVG: 4127600 7.66438 12.069 61.1548 10.6553 19.8106 17.7379 60.3907 18.5647 10.4709 TIMING: 4127600 CPU: 13115.3, 0.00315374/step Wall: 13115.3, 0.00315375/step, 0.764258 hours remaining, 240.085938 MB of memory in use. ENERGY: 4127600 3900.5597 20336.3131 14345.0057 255.9904 -203172.8444 2422.4200 0.0000 0.0000 52392.3324 -109520.2232 301.0995 -161912.5556 -109151.3991 299.4423 -109.6053 -85.1404 762828.4204 12.7178 12.6486 PRESSURE: 4127800 -209.097 180.953 176.096 180.953 -115.446 164.324 176.095 164.324 83.4501 GPRESSURE: 4127800 -195.133 214.087 122.577 162.298 -17.4636 79.0688 167.507 292.797 60.1169 PRESSAVG: 4127800 -32.8239 68.4673 30.3701 68.4673 14.4549 -16.5713 30.3701 -16.5714 -4.78205 GPRESSAVG: 4127800 -33.3987 66.5273 29.9245 68.6416 14.8044 -16.9456 29.8573 -14.1617 -4.18612 TIMING: 4127800 CPU: 13115.9, 0.00314303/step Wall: 13115.9, 0.00314303/step, 0.761486 hours remaining, 240.085938 MB of memory in use. ENERGY: 4127800 3998.6307 20544.8509 14396.0636 260.7135 -203435.0779 2783.9821 0.0000 0.0000 52081.5503 -109369.2869 299.3134 -161450.8372 -109000.3585 299.5140 -80.3643 -50.8265 762329.6720 -7.7170 -7.5935 PRESSURE: 4128000 -246.465 -83.7402 24.3737 -83.7397 -163.233 -371.279 24.374 -371.278 204.763 GPRESSURE: 4128000 -182.579 -90.0216 -4.20824 71.5966 -98.3281 -407.937 37.8229 -245.443 147.465 PRESSAVG: 4128000 -4.6757 -20.4038 19.7974 -20.4038 -1.01567 -14.392 19.7974 -14.3919 20.0955 GPRESSAVG: 4128000 -5.04089 -20.1663 20.4293 -21.0816 1.34893 -16.0318 19.9828 -11.8625 18.5041 TIMING: 4128000 CPU: 13116.6, 0.00320772/step Wall: 13116.6, 0.00320772/step, 0.77698 hours remaining, 240.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4128000 3945.5224 20657.6253 14452.5187 233.1607 -203182.5341 2606.9593 0.0000 0.0000 51983.3199 -109303.4277 298.7489 -161286.7476 -108942.6613 299.6093 -68.3113 -44.4806 762077.3488 4.8014 4.9374 PRESSURE: 4128200 -267.088 -120.125 -107.665 -120.125 -225.303 45.8451 -107.665 45.8439 -208.539 GPRESSURE: 4128200 -235.822 -70.6581 -55.0689 -169.833 -170.618 -19.7089 -8.40383 -28.0473 -189.912 PRESSAVG: 4128200 2.56088 -30.5634 42.4321 -30.5633 6.82261 -10.8369 42.4321 -10.8369 14.6178 GPRESSAVG: 4128200 3.30905 -30.0662 42.641 -30.2248 5.87175 -7.96481 44.5061 -15.6534 14.9612 TIMING: 4128200 CPU: 13117.2, 0.00315681/step Wall: 13117.2, 0.00315681/step, 0.764475 hours remaining, 240.085938 MB of memory in use. ENERGY: 4128200 3938.9128 20441.3285 14430.7036 253.7337 -203258.0141 2780.2869 0.0000 0.0000 52065.4637 -109347.5849 299.2209 -161413.0486 -108975.7236 299.5097 -233.6436 -198.7837 761298.5719 8.0004 8.0473 LDB: ============= START OF LOAD BALANCING ============== 13129.6 LDB: ============== END OF LOAD BALANCING =============== 13129.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13129.6 LDB: ============= START OF LOAD BALANCING ============== 13129.9 LDB: Largest compute 7033 load 0.032751 is 16.7% of average load 0.196119 LDB: Average compute 0.004409 is 2.2% of average load 0.196119 LDB: TIME 13129.9 LOAD: AVG 0.196119 MAX 0.222068 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.039 MB LDB: TIME 13129.9 LOAD: AVG 0.196119 MAX 0.222068 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.039 MB LDB: TIME 13129.9 LOAD: AVG 0.196119 MAX 0.218462 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.039 MB LDB: ============== END OF LOAD BALANCING =============== 13129.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13129.9 PRESSURE: 4128400 145.794 84.1415 9.88667 84.1421 -25.0564 -186.174 9.88724 -186.175 -465.32 GPRESSURE: 4128400 175.221 12.4661 47.2182 117.199 -26.8439 -206.047 -71.1163 -183.108 -420.97 PRESSAVG: 4128400 81.8586 -25.4969 22.3214 -25.4969 -44.3097 -58.211 22.3214 -58.2111 2.78383 GPRESSAVG: 4128400 81.9609 -21.8 22.8018 -26.9219 -44.4535 -57.9271 18.5076 -58.5018 2.51069 TIMING: 4128400 CPU: 13117.8, 0.00325356/step Wall: 13117.8, 0.00325356/step, 0.787722 hours remaining, 238.660156 MB of memory in use. ENERGY: 4128400 3948.7466 20680.6507 14423.8478 261.8007 -203321.5952 2552.9741 0.0000 0.0000 52092.0188 -109361.5564 299.3735 -161453.5752 -108998.2252 299.3974 -114.8609 -90.8645 761102.8058 13.4442 13.3394 PRESSURE: 4128600 -426.59 -18.9735 -111.314 -18.9741 -243.532 5.13523 -111.314 5.1361 194.866 GPRESSURE: 4128600 -396.659 -15.8566 -159.232 56.3347 -203.51 -15.4068 -53.7796 -146.086 212.226 PRESSAVG: 4128600 19.6655 -16.4145 -37.744 -16.4146 -7.81751 -11.2355 -37.744 -11.2355 -12.4491 GPRESSAVG: 4128600 19.7193 -20.017 -36.4372 -15.256 -8.46959 -12.6297 -37.3234 -8.79 -12.0603 TIMING: 4128600 CPU: 13118.5, 0.00351753/step Wall: 13118.5, 0.00351753/step, 0.851438 hours remaining, 238.660156 MB of memory in use. ENERGY: 4128600 3991.4693 20474.2922 14496.5150 230.6930 -203195.6805 2217.2070 0.0000 0.0000 51863.0967 -109922.4074 298.0579 -161785.5040 -109548.0037 299.1651 -158.4187 -129.3142 760024.6580 -0.2004 -0.2702 PRESSURE: 4128800 -293.311 106.569 -122.118 106.569 -35.8106 -20.7893 -122.119 -20.7911 1.73461 GPRESSURE: 4128800 -290.475 127.407 -160.572 145.894 30.3552 107.005 -51.7217 -24.0561 18.079 PRESSAVG: 4128800 35.2452 -19.9173 11.8934 -19.9173 -1.97928 -21.7308 11.8934 -21.7309 -24.4433 GPRESSAVG: 4128800 35.3746 -17.7926 11.0764 -20.2741 -1.94078 -23.0753 13.1 -20.7836 -24.7994 TIMING: 4128800 CPU: 13119.2, 0.00315769/step Wall: 13119.2, 0.00315769/step, 0.764162 hours remaining, 238.660156 MB of memory in use. ENERGY: 4128800 3967.2719 20515.3171 14440.2232 248.9811 -202791.1613 2052.3167 0.0000 0.0000 51614.8783 -109952.1729 296.6314 -161567.0513 -109580.4357 298.3759 -109.1290 -80.6801 760059.1393 2.9409 2.8781 PRESSURE: 4129000 179.005 -48.4322 36.9917 -48.4323 22.9581 134.017 36.9917 134.017 -156.982 GPRESSURE: 4129000 215.651 -54.7701 38.581 26.9659 65.3669 98.8165 -69.1102 123.865 -143.49 PRESSAVG: 4129000 -8.16135 7.56815 -1.44871 7.56811 30.2516 10.5547 -1.44867 10.5548 3.24518 GPRESSAVG: 4129000 -8.09675 6.90064 -2.04414 7.89007 30.4801 9.54324 -0.59473 9.69495 2.61967 TIMING: 4129000 CPU: 13119.8, 0.00316933/step Wall: 13119.8, 0.00316933/step, 0.766801 hours remaining, 238.660156 MB of memory in use. ENERGY: 4129000 4066.1302 20451.7776 14371.0670 260.1287 -203600.0297 2500.7131 0.0000 0.0000 52142.5329 -109807.6802 299.6639 -161950.2131 -109436.2365 298.3640 14.9938 45.8429 758577.6929 8.4452 8.3343 PRESSURE: 4129200 84.1776 141.681 -87.6834 141.681 298.814 69.987 -87.6845 69.9877 493.284 GPRESSURE: 4129200 114.51 69.3164 -45.065 121.566 356.625 95.0666 -48.7642 110.057 459.255 PRESSAVG: 4129200 6.32117 -22.4028 12.492 -22.4027 -34.1423 18.7856 12.492 18.7857 0.0922855 GPRESSAVG: 4129200 5.76087 -25.454 12.7607 -21.4331 -34.0938 21.5548 13.0558 18.9344 0.0805854 TIMING: 4129200 CPU: 13120.5, 0.00333977/step Wall: 13120.5, 0.00333977/step, 0.807853 hours remaining, 238.660156 MB of memory in use. ENERGY: 4129200 3978.0698 20561.2192 14468.3054 244.4800 -203404.4093 2411.2124 0.0000 0.0000 51765.8008 -109975.3216 297.4988 -161741.1224 -109630.8534 298.1882 292.0917 310.1299 759947.4448 -9.2430 -9.4175 PRESSURE: 4129400 162.497 76.3432 217.016 76.3437 -177.989 -7.68891 217.016 -7.68804 -33.4191 GPRESSURE: 4129400 147.499 -6.54033 175.593 193.738 -63.8617 46.6563 319.665 34.0524 -39.8681 PRESSAVG: 4129400 32.728 -2.25473 5.85691 -2.25476 -5.19081 79.1001 5.857 79.1002 -2.89613 GPRESSAVG: 4129400 32.7 -0.732892 4.74507 -3.07035 -4.44982 79.6446 5.77378 79.5723 -2.55718 TIMING: 4129400 CPU: 13121.1, 0.00336397/step Wall: 13121.1, 0.00336397/step, 0.813521 hours remaining, 238.660156 MB of memory in use. ENERGY: 4129400 3960.1327 20563.2331 14376.7003 243.8857 -203668.0565 2624.9376 0.0000 0.0000 51807.0619 -110092.1053 297.7359 -161899.1671 -109733.8738 297.8852 -16.3038 14.5899 760261.5012 8.2137 8.5643 PRESSURE: 4129600 -161.665 -8.27281 -106.416 -8.27377 51.7779 -28.967 -106.416 -28.9664 -113.065 GPRESSURE: 4129600 18.2918 -51.1919 -94.5878 35.1992 -53.039 -2.49245 -47.2503 64.2262 -72.4643 PRESSAVG: 4129600 -38.608 -8.88289 -6.65286 -8.88295 31.2093 18.3841 -6.6529 18.3841 4.52329 GPRESSAVG: 4129600 -37.7859 -10.0148 -5.33578 -6.24476 31.0444 16.9808 -9.18356 17.708 4.20878 TIMING: 4129600 CPU: 13121.8, 0.00319384/step Wall: 13121.8, 0.00319384/step, 0.772198 hours remaining, 238.660156 MB of memory in use. ENERGY: 4129600 4052.1946 20424.1827 14426.4334 234.3323 -203707.4483 2665.5237 0.0000 0.0000 51903.3801 -110001.4015 298.2894 -161904.7816 -109630.8313 297.9545 -74.3175 -35.7372 760143.1082 -0.9585 -0.8442 PRESSURE: 4129800 115.046 -103.289 -44.0866 -103.29 -90.3845 99.2089 -44.0874 99.2084 -85.2856 GPRESSURE: 4129800 195.74 -103.606 -53.3091 -70.4896 -85.786 152.918 7.76304 17.8819 -54.1648 PRESSAVG: 4129800 53.4767 -43.9141 -18.0764 -43.9141 -27.5528 48.0529 -18.0764 48.053 27.0139 GPRESSAVG: 4129800 53.3469 -41.6695 -17.5076 -47.3386 -27.269 47.9376 -17.9086 47.4379 27.2288 TIMING: 4129800 CPU: 13122.4, 0.00320677/step Wall: 13122.4, 0.00320677/step, 0.775147 hours remaining, 238.660156 MB of memory in use. ENERGY: 4129800 3995.7446 20514.5158 14440.6050 249.0134 -203513.1620 2638.4567 0.0000 0.0000 51773.6526 -109901.1738 297.5439 -161674.8265 -109536.9517 297.8992 -20.2082 18.5964 761025.4617 17.6459 17.7689 PRESSURE: 4130000 -68.0157 -97.9732 56.3164 -97.9729 -275.375 35.524 56.317 35.5235 254.348 GPRESSURE: 4130000 -76.784 -129.393 -10.9223 -139.499 -158.21 105.066 174.593 -65.3048 210.179 PRESSAVG: 4130000 44.4005 -23.9661 -58.9769 -23.9661 -45.3388 26.8531 -58.977 26.8531 -13.3004 GPRESSAVG: 4130000 44.3195 -22.3373 -60.1085 -22.5602 -45.681 26.3222 -59.4442 25.8394 -12.7633 TIMING: 4130000 CPU: 13123.1, 0.0032207/step Wall: 13123.1, 0.0032207/step, 0.778336 hours remaining, 238.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4130000 3984.0711 20442.3699 14447.6287 235.5948 -203170.7438 2535.0251 0.0000 0.0000 51662.9254 -109863.1288 296.9075 -161526.0542 -109495.5313 298.2626 -29.6811 -8.2714 762690.5852 -4.7462 -4.7082 PRESSURE: 4130200 -304.9 -39.5723 -4.21478 -39.5726 -1.64283 270.346 -4.21634 270.345 156.061 GPRESSURE: 4130200 -241.363 32.2636 95.1541 -63.7749 58.7604 362.491 -72.162 297.446 106.975 PRESSAVG: 4130200 54.4561 40.4991 40.0622 40.4991 -36.7029 67.0744 40.0622 67.0743 15.1908 GPRESSAVG: 4130200 54.613 37.4872 40.5598 41.4758 -36.5293 66.7195 39.6 68.9269 14.6277 TIMING: 4130200 CPU: 13123.7, 0.00315754/step Wall: 13123.7, 0.00315754/step, 0.762897 hours remaining, 238.660156 MB of memory in use. ENERGY: 4130200 4016.7353 20485.0379 14453.1843 247.9154 -203198.8575 2583.5724 0.0000 0.0000 51755.4781 -109656.9341 297.4394 -161412.4122 -109291.5997 298.6771 -50.1606 -25.2094 762637.4876 10.9813 10.9038 PRESSURE: 4130400 -133.035 -179.947 -156.471 -179.947 21.2994 -55.9524 -156.471 -55.9521 2.12399 GPRESSURE: 4130400 -8.73715 -202.999 -125.266 -29.6066 3.91332 -98.9875 -126.661 -136.239 -0.692706 PRESSAVG: 4130400 -62.8576 -45.8449 -3.74731 -45.8449 70.0128 16.1181 -3.74724 16.118 -23.3341 GPRESSAVG: 4130400 -63.4032 -44.5818 -2.94697 -47.7174 69.8247 17.0372 -4.07018 14.3605 -22.1692 TIMING: 4130400 CPU: 13124.3, 0.00320776/step Wall: 13124.3, 0.00320776/step, 0.774852 hours remaining, 238.660156 MB of memory in use. ENERGY: 4130400 3938.5720 20409.6532 14468.2649 264.3761 -203169.5734 2520.3499 0.0000 0.0000 51945.1343 -109623.2231 298.5294 -161568.3574 -109255.4976 298.3095 -36.5371 -1.8388 763208.2600 -5.3930 -5.2492 PRESSURE: 4130600 123.821 13.2982 -52.847 13.2971 161.628 98.3632 -52.8476 98.3643 -57.6894 GPRESSURE: 4130600 66.3932 49.2074 15.3253 -80.3857 270.706 70.5132 -129.698 172.565 -24.5783 PRESSAVG: 4130600 9.56546 -44.0112 -1.21501 -44.0113 43.5884 -37.9583 -1.21504 -37.9583 7.37568 GPRESSAVG: 4130600 9.13454 -45.1923 -2.26984 -43.0817 43.6638 -40.7113 0.9014 -35.5452 7.28865 TIMING: 4130600 CPU: 13125, 0.0033233/step Wall: 13125, 0.0033233/step, 0.802577 hours remaining, 238.660156 MB of memory in use. ENERGY: 4130600 3965.0615 20387.3037 14436.1391 227.3532 -203484.7928 2862.3484 0.0000 0.0000 52068.1145 -109538.4725 299.2362 -161606.5870 -109195.0657 298.4305 75.9198 104.1736 761433.4287 20.1765 20.0290 PRESSURE: 4130800 79.4574 13.9511 -238.227 13.9511 46.3709 235.608 -238.227 235.608 240.552 GPRESSURE: 4130800 95.4013 -124.991 -221.964 24.2535 190.234 174.236 -244.052 234.272 160.952 PRESSAVG: 4130800 13.859 36.4555 -25.5944 36.4556 18.8831 5.94204 -25.5944 5.94213 -9.46217 GPRESSAVG: 4130800 13.6817 37.6292 -25.8586 34.4278 19.6602 9.90778 -26.2736 5.92629 -9.87374 TIMING: 4130800 CPU: 13125.6, 0.00315378/step Wall: 13125.6, 0.00315378/step, 0.761463 hours remaining, 238.660156 MB of memory in use. ENERGY: 4130800 3906.2815 20390.1212 14479.6094 253.2803 -202850.3932 2481.8022 0.0000 0.0000 51887.3029 -109451.9957 298.1970 -161339.2987 -109096.1738 298.4415 122.1268 148.8625 763283.2090 7.7600 7.8227 PRESSURE: 4131000 -63.0191 62.8955 -201.923 62.8964 242.897 213.706 -201.923 213.706 105.26 GPRESSURE: 4131000 -49.5027 95.1227 -172.452 31.1057 278.456 138.95 -264.156 208.095 148.868 PRESSAVG: 4131000 25.7759 -16.117 -42.3703 -16.117 1.587 63.3589 -42.3704 63.3589 2.19842 GPRESSAVG: 4131000 25.4724 -17.5462 -39.9727 -15.8657 0.904991 61.0246 -42.6737 60.8135 2.82787 TIMING: 4131000 CPU: 13126.3, 0.003232/step Wall: 13126.3, 0.003232/step, 0.780169 hours remaining, 238.660156 MB of memory in use. ENERGY: 4131000 3981.4529 20405.4203 14423.1145 243.4500 -203305.9089 2770.1694 0.0000 0.0000 51888.1683 -109594.1335 298.2020 -161482.3018 -109229.0769 299.0630 95.0459 125.9405 764266.6789 9.8538 9.7351 PRESSURE: 4131200 -271.05 -157.325 -61.6481 -157.325 -293.141 -25.9188 -61.6487 -25.9187 -519.43 GPRESSURE: 4131200 -281.18 -171.799 -64.1836 -167.326 -185.472 48.3445 -21.8101 116.062 -548.928 PRESSAVG: 4131200 -13.3419 -5.71965 -33.2989 -5.71965 0.566157 67.8391 -33.299 67.839 -14.1975 GPRESSAVG: 4131200 -13.2706 -6.36882 -36.4014 -1.62489 0.985762 68.1585 -32.3395 70.1694 -14.5054 TIMING: 4131200 CPU: 13126.9, 0.00318954/step Wall: 13126.9, 0.00318954/step, 0.769741 hours remaining, 238.660156 MB of memory in use. ENERGY: 4131200 4036.1999 20555.4162 14471.7875 249.7072 -202884.7209 2276.6818 0.0000 0.0000 51686.3970 -109608.5313 297.0424 -161294.9283 -109250.8773 298.5717 -361.2071 -338.5266 764092.3160 -8.9911 -8.9301 PRESSURE: 4131400 -280.845 -92.4078 -69.7097 -92.4077 -202.282 122.708 -69.71 122.709 -16.4117 GPRESSURE: 4131400 -162.42 -70.6809 -47.9264 16.3425 -255.653 68.4538 -122.968 61.393 4.95167 PRESSAVG: 4131400 26.0923 -34.4007 -21.0322 -34.4007 -14.2066 22.7863 -21.0323 22.7863 12.9032 GPRESSAVG: 4131400 27.3032 -32.6267 -19.2929 -37.2404 -15.5553 22.4209 -22.2798 23.3747 12.7769 TIMING: 4131400 CPU: 13127.6, 0.00318782/step Wall: 13127.6, 0.00318782/step, 0.76915 hours remaining, 238.660156 MB of memory in use. ENERGY: 4131400 3989.3198 20532.5725 14412.5251 231.5707 -203326.6847 2429.5882 0.0000 0.0000 52240.9117 -109490.1967 300.2292 -161731.1084 -109117.6841 298.9079 -166.5126 -137.7073 762400.6876 8.2630 8.1749 PRESSURE: 4131600 99.3411 -37.9137 75.9124 -37.9142 192.78 -86.4988 75.9123 -86.4991 -242.369 GPRESSURE: 4131600 123.336 -11.2244 12.9722 -52.6232 270.269 -142.964 184.613 83.4713 -239.705 PRESSAVG: 4131600 -20.8612 -21.7662 -30.1305 -21.7662 3.89115 8.68562 -30.1304 8.68572 -1.38383 GPRESSAVG: 4131600 -20.8891 -22.6216 -29.9902 -21.9004 3.42143 9.78976 -28.7937 6.83744 -0.948551 TIMING: 4131600 CPU: 13128.2, 0.00317699/step Wall: 13128.2, 0.00317699/step, 0.76636 hours remaining, 238.660156 MB of memory in use. ENERGY: 4131600 3990.0679 20588.7445 14370.8940 250.1784 -203387.6546 2913.8578 0.0000 0.0000 52000.3285 -109273.5835 298.8466 -161273.9120 -108917.5623 299.6016 16.5843 51.3001 761680.1759 -6.1180 -6.1387 PRESSURE: 4131800 -528.652 -160.141 171.279 -160.141 -442.65 60.0742 171.279 60.0736 -441.358 GPRESSURE: 4131800 -528.437 -92.53 233.024 -123.51 -402.792 117.291 248.364 -30.099 -386.553 PRESSAVG: 4131800 -3.12623 -53.3538 33.0418 -53.3538 -10.5058 29.2771 33.0418 29.2772 5.62912 GPRESSAVG: 4131800 -4.12441 -52.6005 33.0003 -52.8108 -8.91054 28.4072 35.1947 28.6793 4.94102 TIMING: 4131800 CPU: 13128.8, 0.00320318/step Wall: 13128.8, 0.00320319/step, 0.772502 hours remaining, 238.660156 MB of memory in use. ENERGY: 4131800 4094.8904 20704.1529 14364.4606 249.2118 -202689.2170 2145.7588 0.0000 0.0000 51939.6031 -109191.1396 298.4976 -161130.7426 -108833.6951 299.4168 -470.8866 -439.2608 764403.4000 -2.6676 -2.6980 PRESSURE: 4132000 0.560849 22.4145 -85.4348 22.4152 -259.38 208.44 -85.4346 208.44 -241.483 GPRESSURE: 4132000 42.7693 -149.402 -124.405 49.2735 -277.146 125.682 -74.2957 227.688 -174.365 PRESSAVG: 4132000 32.8787 -26.7105 -3.90236 -26.7105 -33.1598 27.6013 -3.9023 27.6014 -26.9061 GPRESSAVG: 4132000 33.2558 -28.7775 -2.2641 -28.604 -33.4943 28.0247 -8.78693 27.9714 -27.1236 TIMING: 4132000 CPU: 13129.5, 0.0032279/step Wall: 13129.5, 0.0032279/step, 0.778282 hours remaining, 238.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4132000 4136.4516 20588.0015 14445.8379 248.1653 -203200.7049 2655.0659 0.0000 0.0000 52040.7338 -109086.4489 299.0788 -161127.1826 -108729.4689 299.9274 -166.7672 -136.2472 762842.9945 -9.0624 -9.1207 PRESSURE: 4132200 128.798 -75.3365 -43.2416 -75.3356 -326.844 -8.54605 -43.2419 -8.54507 221.791 GPRESSURE: 4132200 147.809 -110.635 -52.5529 -96.3143 -205.792 -2.386 -53.833 118.229 187.069 PRESSAVG: 4132200 -24.4784 -3.92464 12.0643 -3.92458 2.39506 -0.298039 12.0643 -0.298096 5.98593 GPRESSAVG: 4132200 -24.4201 -2.10941 10.446 -2.20849 1.97497 -0.748182 13.7433 0.277119 6.61984 TIMING: 4132200 CPU: 13130.1, 0.00320128/step Wall: 13130.1, 0.00320128/step, 0.771686 hours remaining, 238.660156 MB of memory in use. ENERGY: 4132200 3966.1681 20547.3799 14423.3349 234.7741 -202815.4450 2252.0046 0.0000 0.0000 52246.2998 -109145.4836 300.2602 -161391.7834 -108784.6720 300.0715 7.9150 43.0288 762327.0011 -5.3658 -5.2751 LDB: ============= START OF LOAD BALANCING ============== 13142.5 LDB: ============== END OF LOAD BALANCING =============== 13142.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13142.5 LDB: ============= START OF LOAD BALANCING ============== 13142.8 LDB: Largest compute 7033 load 0.034325 is 17.5% of average load 0.195948 LDB: Average compute 0.004408 is 2.2% of average load 0.195948 LDB: TIME 13142.8 LOAD: AVG 0.195948 MAX 0.218174 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 13142.8 LOAD: AVG 0.195948 MAX 0.218174 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 13142.8 LOAD: AVG 0.195948 MAX 0.218174 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 13142.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13142.9 PRESSURE: 4132400 235.23 18.2129 13.0251 18.2135 170.425 -104.456 13.0258 -104.455 -50.2976 GPRESSURE: 4132400 206.524 38.1032 -15.0399 -2.91616 233.464 -161.218 -16.6788 -30.3185 -16.4698 PRESSAVG: 4132400 -2.92422 18.1363 -12.6368 18.1363 -40.3118 23.3198 -12.6367 23.3198 -23.1197 GPRESSAVG: 4132400 -2.70499 18.4704 -11.5609 18.0838 -40.8816 23.2936 -11.5833 23.2288 -22.7705 TIMING: 4132400 CPU: 13130.8, 0.00325431/step Wall: 13130.8, 0.00325431/step, 0.784288 hours remaining, 238.671875 MB of memory in use. ENERGY: 4132400 4015.8751 20527.3009 14465.4856 228.6975 -203615.8584 2928.6486 0.0000 0.0000 52393.5279 -109056.3228 301.1063 -161449.8507 -108697.7717 300.1605 118.4525 141.1727 762116.1913 -22.1186 -22.1190 PRESSURE: 4132600 316.519 94.6 -147.585 94.6008 166.595 176.487 -147.585 176.488 156.891 GPRESSURE: 4132600 302.881 116.553 -173.634 152.728 264.63 219.464 -52.8467 198.499 153.186 PRESSAVG: 4132600 10.3236 11.7815 -59.4955 11.7814 -5.64501 -0.780619 -59.4954 -0.78068 -6.53675 GPRESSAVG: 4132600 8.85957 10.8516 -60.9322 12.669 -5.4509 -0.057309 -60.1359 -1.67395 -5.62337 TIMING: 4132600 CPU: 13131.4, 0.00318761/step Wall: 13131.4, 0.00318761/step, 0.768037 hours remaining, 238.671875 MB of memory in use. ENERGY: 4132600 4008.9704 20526.9151 14483.3873 237.0023 -203161.8715 2807.3968 0.0000 0.0000 52268.6860 -108829.5136 300.3889 -161098.1996 -108461.6253 300.2894 213.3350 240.2323 762261.7528 -0.6194 -0.7382 PRESSURE: 4132800 17.3508 21.4545 146.26 21.4544 -165.435 -96.2871 146.26 -96.2875 -431.792 GPRESSURE: 4132800 -6.01218 144.843 90.4497 33.8078 -13.9481 -7.68652 189.853 -30.2785 -467.331 PRESSAVG: 4132800 13.5203 -36.305 10.8437 -36.3049 -15.7602 -3.24673 10.8437 -3.24677 -8.196 GPRESSAVG: 4132800 14.3582 -35.7508 11.7182 -37.0844 -15.438 -4.57908 9.84787 -3.11138 -8.72808 TIMING: 4132800 CPU: 13132, 0.00317514/step Wall: 13132, 0.00317514/step, 0.764856 hours remaining, 238.671875 MB of memory in use. ENERGY: 4132800 3993.4644 20447.4096 14514.1817 243.8369 -202881.1625 2625.5144 0.0000 0.0000 52333.1111 -108723.6443 300.7591 -161056.7555 -108355.8370 300.5636 -193.2918 -162.4304 763308.6358 -3.4786 -3.2693 PRESSURE: 4133000 278.363 -64.6012 -109.132 -64.6005 127.69 214.21 -109.131 214.209 201.472 GPRESSURE: 4133000 302.648 -5.89873 11.2378 -18.5191 142.396 181.01 24.8689 201.84 249.649 PRESSAVG: 4133000 45.7907 -1.79622 -3.3503 -1.79628 -46.186 -56.142 -3.35034 -56.142 -23.3195 GPRESSAVG: 4133000 45.5348 -0.881073 -2.531 -2.21601 -46.3957 -55.1503 -0.7553 -56.6078 -22.9911 TIMING: 4133000 CPU: 13132.7, 0.00318877/step Wall: 13132.7, 0.00318877/step, 0.767961 hours remaining, 238.671875 MB of memory in use. ENERGY: 4133000 4102.3747 20567.4658 14463.9050 239.5082 -203236.1187 2681.0791 0.0000 0.0000 52385.8856 -108795.9002 301.0624 -161181.7858 -108421.3102 300.6286 202.5084 231.5644 761068.3434 -7.9049 -7.9507 PRESSURE: 4133200 155.693 -131.497 -248.914 -131.498 385.958 -34.1345 -248.914 -34.1355 129.577 GPRESSURE: 4133200 232.095 -262.133 -345.293 -175.785 409.424 -86.4151 -228.036 -14.7445 104.742 PRESSAVG: 4133200 8.27635 -35.5575 65.5009 -35.5575 -11.9082 19.7946 65.5009 19.7944 -4.88798 GPRESSAVG: 4133200 8.17698 -35.586 63.9685 -35.6794 -11.1471 18.3369 64.6667 22.1311 -5.55827 TIMING: 4133200 CPU: 13133.3, 0.00320955/step Wall: 13133.3, 0.00320956/step, 0.77279 hours remaining, 238.671875 MB of memory in use. ENERGY: 4133200 3990.2623 20535.0722 14428.1512 246.9337 -203085.3537 2656.2340 0.0000 0.0000 52236.2901 -108992.4104 300.2027 -161228.7005 -108625.3824 300.2761 223.7427 248.7535 760815.9202 -2.8400 -2.8428 PRESSURE: 4133400 7.20445 4.60426 -101.101 4.60444 -141.25 43.0625 -101.101 43.0625 1.37519 GPRESSURE: 4133400 86.6547 76.6651 -107.833 -6.63461 -195.12 89.782 -173.659 68.8574 53.1795 PRESSAVG: 4133400 31.4799 -37.128 -15.0528 -37.128 -9.46606 -10.0012 -15.0528 -10.0012 -9.83473 GPRESSAVG: 4133400 31.5984 -36.5646 -15.8395 -37.3704 -10.0978 -8.57928 -16.8878 -10.8325 -9.04691 TIMING: 4133400 CPU: 13134, 0.0031673/step Wall: 13134, 0.00316729/step, 0.762438 hours remaining, 238.671875 MB of memory in use. ENERGY: 4133400 4037.4531 20548.7152 14479.7803 244.9255 -202798.2647 2469.4109 0.0000 0.0000 52076.6835 -108941.2961 299.2854 -161017.9796 -108582.5588 300.0635 -44.2235 -18.4285 763584.3038 4.0597 4.1512 PRESSURE: 4133600 -404.217 12.7562 -68.8964 12.7562 100.618 385.911 -68.8957 385.911 -446.547 GPRESSURE: 4133600 -263.642 -44.356 -115.887 79.8123 41.977 411.458 19.6547 380.32 -431.7 PRESSAVG: 4133600 -18.1958 -10.1871 8.52314 -10.1871 12.1926 -19.6793 8.52313 -19.6793 -11.8105 GPRESSAVG: 4133600 -17.9315 -10.6968 10.0918 -8.70221 13.2045 -18.5449 10.0907 -22.0846 -12.5832 TIMING: 4133600 CPU: 13134.6, 0.00316491/step Wall: 13134.6, 0.00316491/step, 0.761687 hours remaining, 238.671875 MB of memory in use. ENERGY: 4133600 4070.6896 20516.4322 14472.1764 240.9895 -202994.6298 2504.4037 0.0000 0.0000 52251.1017 -108938.8368 300.2878 -161189.9384 -108579.2492 299.9439 -250.0488 -217.7881 761915.4565 -5.9379 -5.7700 PRESSURE: 4133800 -297.465 204.496 -243.018 204.497 -172.661 -206.355 -243.018 -206.355 187.995 GPRESSURE: 4133800 -183.652 164.445 -118.534 172.047 -257.685 -243.833 -209.208 -195.895 246.206 PRESSAVG: 4133800 -29.3778 -44.2115 -29.2109 -44.2115 44.6355 -19.9741 -29.2109 -19.974 10.9032 GPRESSAVG: 4133800 -29.2579 -45.3639 -28.3335 -44.5818 44.0067 -21.7841 -30.5597 -18.0988 11.0259 TIMING: 4133800 CPU: 13135.2, 0.0031709/step Wall: 13135.2, 0.0031709/step, 0.762953 hours remaining, 238.671875 MB of memory in use. ENERGY: 4133800 3899.9827 20522.0143 14416.0272 256.2908 -203014.6484 2562.5731 0.0000 0.0000 52147.2957 -109210.4647 299.6912 -161357.7604 -108849.1111 299.7142 -94.0436 -65.0438 761499.6353 8.7203 8.5915 PRESSURE: 4134000 -571.536 -39.8148 133.801 -39.8148 -201.035 -19.299 133.8 -19.2989 -227.341 GPRESSURE: 4134000 -474.323 -210.351 176.55 85.9634 -258.486 4.80067 127.416 -53.159 -200.777 PRESSAVG: 4134000 8.81034 -22.6346 -37.2282 -22.6345 -0.170651 -29.7536 -37.2282 -29.7536 20.6272 GPRESSAVG: 4134000 9.27067 -23.055 -39.8519 -23.5608 0.0808711 -29.13 -35.1908 -30.6209 20.2783 TIMING: 4134000 CPU: 13135.9, 0.00318017/step Wall: 13135.9, 0.00318017/step, 0.765008 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4134000 4012.8608 20587.4270 14378.3908 230.7278 -203007.7938 2372.2068 0.0000 0.0000 52153.6479 -109272.5325 299.7277 -161426.1804 -108902.4052 300.2279 -333.3038 -311.1952 760731.8196 9.7556 9.8766 PRESSURE: 4134200 -75.7591 -220.89 240.932 -220.89 178.868 241.803 240.932 241.803 -50.6454 GPRESSURE: 4134200 -6.97232 -187.823 214.924 11.0432 170.157 146.143 164.172 316.211 -23.8133 PRESSAVG: 4134200 -45.6807 -45.1181 -20.7727 -45.1182 57.1463 -13.9304 -20.7727 -13.9304 5.12499 GPRESSAVG: 4134200 -46.1039 -44.8294 -21.6743 -43.417 57.3192 -13.1411 -21.8008 -14.323 6.09082 TIMING: 4134200 CPU: 13136.5, 0.00318167/step Wall: 13136.5, 0.00318167/step, 0.765191 hours remaining, 238.671875 MB of memory in use. ENERGY: 4134200 3976.1279 20689.1668 14385.9372 247.6885 -203196.3186 2454.9573 0.0000 0.0000 52210.2614 -109232.1794 300.0531 -161442.4408 -108862.4060 300.1224 17.4880 46.4570 760353.2054 5.5302 5.7687 PRESSURE: 4134400 -242.959 -4.19323 -22.6386 -4.19276 -164.181 178.442 -22.6392 178.442 56.2659 GPRESSURE: 4134400 -159.769 -47.2779 -4.13972 10.1306 -98.162 223.209 29.3521 67.8314 -15.7599 PRESSAVG: 4134400 7.53876 -57.8309 1.13997 -57.8309 -1.53622 11.8721 1.14005 11.872 23.4553 GPRESSAVG: 4134400 6.93129 -56.8799 4.2697 -58.6477 -1.6201 12.0468 -0.905736 11.9739 24.2888 TIMING: 4134400 CPU: 13137.1, 0.00317245/step Wall: 13137.1, 0.00317245/step, 0.762798 hours remaining, 238.671875 MB of memory in use. ENERGY: 4134400 3984.4548 20577.4123 14464.7701 254.9767 -203311.2410 2674.7126 0.0000 0.0000 52222.1171 -109132.7975 300.1212 -161354.9146 -108765.0183 300.0430 -116.9580 -91.2304 762256.1292 9.8193 9.8667 PRESSURE: 4134600 8.65165 -53.5798 -124.544 -53.5796 -548.483 -83.4335 -124.544 -83.4331 -230.914 GPRESSURE: 4134600 -3.39221 -99.4797 -129.804 -100.815 -470.963 -56.9478 -118.015 -0.899588 -217.463 PRESSAVG: 4134600 5.60016 -19.9814 -18.8102 -19.9815 -34.2749 -5.94948 -18.8102 -5.94944 9.15622 GPRESSAVG: 4134600 4.61311 -21.0292 -19.3748 -19.3109 -33.1664 -6.72298 -16.8351 -2.24227 8.92854 TIMING: 4134600 CPU: 13137.8, 0.00316994/step Wall: 13137.8, 0.00316994/step, 0.762018 hours remaining, 238.671875 MB of memory in use. ENERGY: 4134600 4027.7607 20499.6149 14418.0039 254.7671 -203359.4960 2675.2351 0.0000 0.0000 52207.7641 -109276.3503 300.0387 -161484.1144 -108916.8205 299.5324 -256.9151 -230.6062 763394.2336 -6.5062 -6.5416 PRESSURE: 4134800 -363.377 -526.645 -43.7635 -526.645 31.9705 141.01 -43.7641 141.011 -37.3579 GPRESSURE: 4134800 -245.157 -417.622 -6.87367 -415.877 41.0261 131.29 -70.6092 27.027 -73.4106 PRESSAVG: 4134800 -16.1402 -7.94816 -9.16433 -7.94806 1.62339 21.0008 -9.16433 21.0008 -6.24485 GPRESSAVG: 4134800 -14.1185 -8.76266 -9.6188 -7.73221 -0.204969 20.7588 -9.43188 17.5428 -6.53463 TIMING: 4134800 CPU: 13138.4, 0.0031997/step Wall: 13138.4, 0.0031997/step, 0.768995 hours remaining, 238.671875 MB of memory in use. ENERGY: 4134800 4060.7658 20447.1309 14400.2551 245.2201 -202981.0440 2366.1307 0.0000 0.0000 52320.1180 -109141.4233 300.6844 -161461.5413 -108759.0399 299.9920 -122.9215 -92.5137 761402.7913 -6.9206 -6.9527 PRESSURE: 4135000 -34.3669 118.595 32.2295 118.594 -142.259 -7.18397 32.2296 -7.18363 -214.525 GPRESSURE: 4135000 16.2184 -1.81717 3.38 64.1292 -85.9683 -46.7188 112.585 -50.3279 -228.752 PRESSAVG: 4135000 -0.226805 -17.4727 6.72297 -17.4728 -1.9997 28.7678 6.72292 28.7678 -0.396447 GPRESSAVG: 4135000 -0.205133 -16.2966 6.73705 -18.5792 -1.88269 28.6925 7.41266 30.198 -0.301682 TIMING: 4135000 CPU: 13139, 0.0032153/step Wall: 13139, 0.0032153/step, 0.772565 hours remaining, 238.671875 MB of memory in use. ENERGY: 4135000 4087.3590 20567.9096 14412.6797 229.2126 -203205.3308 2576.8943 0.0000 0.0000 52114.5912 -109216.6845 299.5033 -161331.2757 -108849.3856 300.0994 -130.3834 -99.5008 762872.4138 -0.8743 -0.7965 PRESSURE: 4135200 467.872 -173.378 -299.752 -173.378 -59.892 -129.55 -299.752 -129.551 77.9853 GPRESSURE: 4135200 433.048 -155.763 -234.522 -154.359 100.984 -113.929 -203.233 -117.199 22.8042 PRESSAVG: 4135200 15.8233 -24.8399 13.2784 -24.8399 -15.0887 -8.69322 13.2784 -8.69323 -10.986 GPRESSAVG: 4135200 13.6319 -25.0857 12.5478 -25.2902 -13.3864 -6.27001 13.2866 -11.4202 -10.3775 TIMING: 4135200 CPU: 13139.7, 0.00321781/step Wall: 13139.7, 0.00321781/step, 0.772989 hours remaining, 238.671875 MB of memory in use. ENERGY: 4135200 3983.8506 20608.0090 14382.0123 260.8948 -203422.8316 2680.8475 0.0000 0.0000 52435.3753 -109071.8421 301.3468 -161507.2173 -108705.8608 300.2245 161.9886 185.6118 759629.3875 -3.4171 -3.3773 PRESSURE: 4135400 -301.669 -6.96899 -166.364 -6.96924 -82.1374 65.8609 -166.364 65.8624 -465.017 GPRESSURE: 4135400 -193.81 131.028 -185.935 -99.5903 -156.382 118.801 -120.447 198.253 -427.106 PRESSAVG: 4135400 -32.4681 25.9033 -6.4689 25.9033 64.9033 10.4581 -6.46888 10.4581 3.4339 GPRESSAVG: 4135400 -31.2019 27.229 -8.12654 25.2097 63.0304 9.53025 -4.33389 12.4921 3.54109 TIMING: 4135400 CPU: 13140.3, 0.00322717/step Wall: 13140.3, 0.00322717/step, 0.77506 hours remaining, 238.671875 MB of memory in use. ENERGY: 4135400 4026.5630 20645.4559 14387.6767 260.0774 -203117.7683 2336.4353 0.0000 0.0000 52418.3145 -109043.2455 301.2488 -161461.5600 -108684.4894 300.6407 -282.9414 -259.0994 761926.6015 11.9563 11.7899 PRESSURE: 4135600 -93.3951 -145.788 65.365 -145.788 -173.841 330.212 65.3642 330.211 -126.245 GPRESSURE: 4135600 -83.7788 -71.7728 50.1933 -150.861 -74.0845 346.817 40.2699 312.182 -138.053 PRESSAVG: 4135600 -12.2107 -7.42137 30.9085 -7.42142 45.0103 54.3151 30.9086 54.3152 -0.385857 GPRESSAVG: 4135600 -11.4266 -8.69335 32.3164 -4.24945 44.1135 54.5626 28.1235 51.9565 -0.0287591 TIMING: 4135600 CPU: 13141, 0.0032808/step Wall: 13141, 0.0032808/step, 0.787757 hours remaining, 238.671875 MB of memory in use. ENERGY: 4135600 4055.0266 20653.2333 14370.2640 248.7868 -203271.6713 2640.9052 0.0000 0.0000 52151.2271 -109152.2283 299.7138 -161303.4554 -108788.7280 300.6422 -131.1603 -98.6387 761529.9819 10.8046 10.8861 PRESSURE: 4135800 -314.583 -32.8846 -51.9147 -32.8846 108.572 88.0879 -51.9152 88.0865 70.7278 GPRESSURE: 4135800 -324.264 -69.2905 -49.4437 -93.8283 171.564 125 -20.7616 131.104 92.1673 PRESSAVG: 4135800 -50.6006 -36.3857 16.6615 -36.3857 81.0824 21.8893 16.6614 21.8893 22.1072 GPRESSAVG: 4135800 -51.172 -34.9317 15.4576 -39.6462 82.5559 21.3258 17.0018 22.3599 21.1462 TIMING: 4135800 CPU: 13141.6, 0.00327462/step Wall: 13141.6, 0.00327462/step, 0.786091 hours remaining, 238.671875 MB of memory in use. ENERGY: 4135800 4035.9166 20601.4829 14349.6636 232.8316 -203294.7358 2790.0212 0.0000 0.0000 51858.1053 -109426.7146 298.0292 -161284.8199 -109072.1445 299.4344 -45.0944 -20.1777 763953.8130 17.5297 17.5100 PRESSURE: 4136000 74.6004 6.73534 120.952 6.7351 -189.597 -72.532 120.952 -72.532 -42.9022 GPRESSURE: 4136000 112.389 -11.2922 104.037 -117.953 -125.816 -155.047 69.7037 -88.3913 -52.2113 PRESSAVG: 4136000 -63.1091 -18.4631 -73.8017 -18.4631 33.2361 -36.9856 -73.8018 -36.9856 6.72718 GPRESSAVG: 4136000 -63.9677 -18.0544 -72.1927 -17.5524 33.0555 -37.0344 -75.2997 -36.9856 7.91331 TIMING: 4136000 CPU: 13142.3, 0.00324678/step Wall: 13142.3, 0.00324678/step, 0.779227 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4136000 3995.1950 20564.5211 14395.9857 241.6997 -203689.8105 2885.9927 0.0000 0.0000 52013.4702 -109592.9461 298.9221 -161606.4163 -109226.5237 299.2888 -52.6329 -21.8795 762021.8573 -7.7152 -7.6663 PRESSURE: 4136200 77.2561 -43.5689 -52.0449 -43.569 -64.9708 324.093 -52.0446 324.094 -159.526 GPRESSURE: 4136200 56.9091 -62.2742 26.5294 -108.543 -46.6407 277.882 -18.899 272.962 -60.3056 PRESSAVG: 4136200 0.10484 -59.3508 -35.2211 -59.3508 33.3892 14.1794 -35.2211 14.1794 -17.8326 GPRESSAVG: 4136200 -0.265057 -61.1454 -34.5477 -59.5565 33.3581 11.717 -35.7468 16.9619 -17.9863 TIMING: 4136200 CPU: 13142.9, 0.0032603/step Wall: 13142.9, 0.0032603/step, 0.782292 hours remaining, 238.671875 MB of memory in use. ENERGY: 4136200 4030.3914 20548.9098 14407.9011 243.1824 -203748.0623 2846.7827 0.0000 0.0000 52127.2791 -109543.6159 299.5762 -161670.8950 -109180.7431 299.1028 -49.0801 -16.6791 762445.7379 5.2205 5.0356 LDB: ============= START OF LOAD BALANCING ============== 13155.4 LDB: ============== END OF LOAD BALANCING =============== 13155.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13155.4 LDB: ============= START OF LOAD BALANCING ============== 13155.7 LDB: Largest compute 7067 load 0.034862 is 17.2% of average load 0.202378 LDB: Average compute 0.004431 is 2.2% of average load 0.202378 LDB: TIME 13155.7 LOAD: AVG 0.202378 MAX 0.225555 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 13155.7 LOAD: AVG 0.202378 MAX 0.225555 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 13155.7 LOAD: AVG 0.202378 MAX 0.225555 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 13155.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13155.7 PRESSURE: 4136400 57.9114 -116.785 -119.405 -116.785 205.071 143.915 -119.405 143.914 -186.06 GPRESSURE: 4136400 124.979 -32.8005 -105.266 -19.1022 211.478 95.0388 -128.282 128.145 -180.94 PRESSAVG: 4136400 -9.24599 -32.3025 -25.1982 -32.3025 72.5548 5.92826 -25.1982 5.92822 -14.667 GPRESSAVG: 4136400 -7.71223 -32.8194 -25.3124 -31.4187 71.8812 7.83751 -23.9744 3.32204 -15.5522 TIMING: 4136400 CPU: 13143.6, 0.00333916/step Wall: 13143.6, 0.00333916/step, 0.801027 hours remaining, 239.125000 MB of memory in use. ENERGY: 4136400 4037.3794 20588.2550 14354.2566 235.1675 -203753.8966 2930.6326 0.0000 0.0000 51948.5084 -109659.6971 298.5488 -161608.2055 -109307.9592 298.9437 25.6407 51.8390 760050.8474 16.2139 16.2056 PRESSURE: 4136600 -97.1347 81.981 -91.5575 81.9813 197.869 297.279 -91.5571 297.278 -37.1758 GPRESSURE: 4136600 -94.8531 228.13 -216.253 108.381 234.865 278.183 -131.052 230.008 1.74027 PRESSAVG: 4136600 -45.0862 -26.9305 16.0851 -26.9306 30.1047 -22.0061 16.0851 -22.0061 -10.1029 GPRESSAVG: 4136600 -46.5303 -23.5559 14.9107 -26.1699 30.4805 -22.8451 16.3953 -22.458 -9.3794 TIMING: 4136600 CPU: 13144.3, 0.00330391/step Wall: 13144.3, 0.0033039/step, 0.792387 hours remaining, 239.125000 MB of memory in use. ENERGY: 4136600 3991.2696 20550.6095 14435.2260 245.0560 -202990.0178 2296.9459 0.0000 0.0000 51707.7681 -109763.1427 297.1653 -161470.9108 -109407.9861 298.5722 21.1861 47.2508 760734.1732 -8.3615 -8.4764 PRESSURE: 4136800 24.5808 -73.531 -97.5209 -73.5318 218.846 51.5459 -97.5219 51.545 54.6985 GPRESSURE: 4136800 49.2719 -167.133 -132.162 -138.839 297.865 109.807 -74.3601 95.1808 28.2368 PRESSAVG: 4136800 -33.8883 -53.0699 4.89986 -53.0699 -17.4829 6.9527 4.89987 6.95266 27.0573 GPRESSAVG: 4136800 -33.4884 -53.9657 4.57624 -54.2501 -17.923 6.55453 6.87308 7.56 26.4384 TIMING: 4136800 CPU: 13144.9, 0.00323424/step Wall: 13144.9, 0.00323424/step, 0.775499 hours remaining, 239.125000 MB of memory in use. ENERGY: 4136800 3954.0827 20530.8956 14406.7082 245.9086 -203490.5387 2538.8737 0.0000 0.0000 51883.8160 -109930.2539 298.1770 -161814.0699 -109571.9948 298.8229 99.3752 125.1244 761159.6584 -8.1046 -8.3243 PRESSURE: 4137000 -277.07 -87.9601 -125.986 -87.9605 -222.961 35.7869 -125.985 35.7861 84.3715 GPRESSURE: 4137000 -161.41 -60.6598 -10.1836 -64.2115 -179.544 68.5076 -185.805 7.48912 4.22813 PRESSAVG: 4137000 1.56876 -59.1883 4.06214 -59.1884 32.7271 -7.61091 4.06213 -7.61082 -13.3769 GPRESSAVG: 4137000 1.91123 -59.669 5.73842 -59.9588 32.5418 -6.98863 1.89855 -7.44975 -13.5827 TIMING: 4137000 CPU: 13145.6, 0.00319622/step Wall: 13145.6, 0.00319622/step, 0.766205 hours remaining, 239.125000 MB of memory in use. ENERGY: 4137000 4068.4247 20555.2705 14349.4435 251.2769 -203392.0669 2395.9708 0.0000 0.0000 51752.4494 -110019.2310 297.4220 -161771.6804 -109674.3740 298.4066 -138.5532 -112.2418 761340.3715 6.9730 6.9568 PRESSURE: 4137200 63.3413 -43.9152 98.8336 -43.915 98.4357 179.001 98.8337 179.001 -17.7309 GPRESSURE: 4137200 76.575 52.0119 84.6064 34.7389 141.759 160.135 45.8766 240.671 23.9839 PRESSAVG: 4137200 43.1158 -60.2417 -20.433 -60.2417 -44.8139 -10.111 -20.433 -10.111 14.9242 GPRESSAVG: 4137200 43.057 -61.7248 -21.2078 -59.6147 -44.574 -10.0534 -19.5361 -8.57419 14.5076 TIMING: 4137200 CPU: 13146.2, 0.00322531/step Wall: 13146.2, 0.00322531/step, 0.773 hours remaining, 239.125000 MB of memory in use. ENERGY: 4137200 3989.2743 20457.9390 14347.8405 222.9995 -203904.9505 3020.5142 0.0000 0.0000 51919.7799 -109946.6030 298.3837 -161866.3830 -109580.7224 297.6617 48.0153 80.7726 760376.4238 4.4087 4.3302 PRESSURE: 4137400 -191.688 -36.4284 49.9963 -36.4291 -91.0437 125.367 49.9953 125.367 104.973 GPRESSURE: 4137400 -164.828 -51.3678 76.4603 -19.3319 -76.1596 137.51 22.9163 -32.6999 145.686 PRESSAVG: 4137400 88.2776 -35.702 -13.4866 -35.702 -21.2241 -3.41091 -13.4866 -3.41092 2.60201 GPRESSAVG: 4137400 87.361 -35.2588 -12.5458 -35.8815 -21.1503 -2.92779 -13.8861 -4.71263 3.97698 TIMING: 4137400 CPU: 13146.9, 0.00321135/step Wall: 13146.9, 0.00321135/step, 0.769475 hours remaining, 239.125000 MB of memory in use. ENERGY: 4137400 3896.8014 20462.1291 14405.2336 243.1802 -203830.6546 2943.5593 0.0000 0.0000 51748.5545 -110131.1965 297.3997 -161879.7511 -109765.7446 298.1828 -59.2529 -31.7672 762856.1180 23.2185 23.3959 PRESSURE: 4137600 2.77723 69.2221 -222.969 69.2216 -106.302 111.038 -222.97 111.038 171.828 GPRESSURE: 4137600 55.8541 28.1703 -204.317 -5.17979 -87.4121 99.8722 -118.152 118.011 167.988 PRESSAVG: 4137600 35.7097 -38.1469 -30.3742 -38.147 -44.1374 -5.75179 -30.3742 -5.75175 -8.2031 GPRESSAVG: 4137600 36.5416 -37.9971 -31.8379 -37.6385 -43.766 -6.63547 -29.9157 -5.09966 -9.25443 TIMING: 4137600 CPU: 13147.5, 0.00320949/step Wall: 13147.5, 0.00320949/step, 0.76885 hours remaining, 239.125000 MB of memory in use. ENERGY: 4137600 4022.7829 20433.0943 14328.3288 231.0011 -203808.8619 2796.4969 0.0000 0.0000 51930.3053 -110066.8526 298.4442 -161997.1579 -109696.4419 298.4778 22.7678 45.4768 762536.1004 -5.5436 -5.4930 PRESSURE: 4137800 13.6025 -64.6893 79.6273 -64.6898 337.075 44.6652 79.6269 44.665 -66.2745 GPRESSURE: 4137800 59.107 -169.732 50.7238 -55.3381 387.985 44.2484 96.8467 14.9911 -82.3222 PRESSAVG: 4137800 61.0493 -5.6726 -46.5806 -5.67264 -51.7527 -23.4115 -46.5806 -23.4115 -12.2865 GPRESSAVG: 4137800 61.3145 -6.32954 -46.1456 -5.6872 -51.2953 -24.2657 -45.418 -23.1787 -12.4945 TIMING: 4137800 CPU: 13148.1, 0.00321908/step Wall: 13148.1, 0.00321907/step, 0.770968 hours remaining, 239.125000 MB of memory in use. ENERGY: 4137800 3948.8788 20491.9645 14381.8810 243.9849 -203656.8774 2724.5418 0.0000 0.0000 51825.6824 -110039.9440 297.8429 -161865.6264 -109681.6504 298.7749 94.8010 121.5899 762839.2899 -0.9966 -0.8251 PRESSURE: 4138000 -150.525 -88.7833 -43.9868 -88.7839 -118.488 -3.06186 -43.9864 -3.06208 -400.235 GPRESSURE: 4138000 -96.1831 85.9843 5.07108 -25.7836 -107.012 55.7969 -43.0217 42.2825 -379.392 PRESSAVG: 4138000 -31.2945 -9.94025 -38.1791 -9.94028 45.8386 -25.0234 -38.1791 -25.0234 19.5993 GPRESSAVG: 4138000 -32.0234 -11.2111 -38.0841 -11.1216 46.8916 -23.333 -37.3134 -25.7836 18.9443 TIMING: 4138000 CPU: 13148.8, 0.00320894/step Wall: 13148.8, 0.00320894/step, 0.768362 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4138000 3944.4973 20650.9756 14305.4645 258.6880 -203809.8481 2612.4399 0.0000 0.0000 52009.3078 -110028.4750 298.8982 -162037.7828 -109674.9421 298.0086 -223.0826 -194.1957 761465.0124 11.3812 11.2708 PRESSURE: 4138200 -141.549 201.764 -69.0668 201.764 154.683 -17.2942 -69.0684 -17.2942 -169.889 GPRESSURE: 4138200 -32.6765 203.514 -152.518 245.929 94.8761 52.2068 -73.3091 -34.0799 -138.592 PRESSAVG: 4138200 -4.03426 28.8505 17.7884 28.8506 32.2923 -24.3219 17.7884 -24.3218 16.7086 GPRESSAVG: 4138200 -2.73754 29.2015 18.0793 30.829 31.102 -24.8224 16.4369 -24.2241 17.535 TIMING: 4138200 CPU: 13149.4, 0.00324696/step Wall: 13149.4, 0.00324696/step, 0.777286 hours remaining, 239.125000 MB of memory in use. ENERGY: 4138200 3946.3246 20322.6929 14396.9337 251.5274 -203094.0918 2467.4152 0.0000 0.0000 51703.4436 -110005.7543 297.1404 -161709.1979 -109641.1662 298.6403 -52.2516 -25.4643 762865.0660 14.9889 15.2998 PRESSURE: 4138400 36.9773 87.7366 -41.1268 87.7363 336.265 8.11271 -41.1267 8.11388 231.562 GPRESSURE: 4138400 146.874 30.7106 21.5201 3.9735 278.275 43.1773 19.1522 -28.7233 273.11 PRESSAVG: 4138400 -61.0397 -43.0988 38.9855 -43.0989 36.0713 9.46965 38.9856 9.46966 -4.26659 GPRESSAVG: 4138400 -60.5959 -41.5368 38.6737 -43.8149 33.962 8.86551 38.7195 8.76073 -3.53965 TIMING: 4138400 CPU: 13150.1, 0.00322701/step Wall: 13150.1, 0.00322702/step, 0.772333 hours remaining, 239.125000 MB of memory in use. ENERGY: 4138400 3943.4873 20531.3362 14351.2749 255.1156 -203309.4138 2569.9893 0.0000 0.0000 51820.8095 -109837.4010 297.8149 -161658.2105 -109473.9205 298.0191 201.6014 232.7529 761744.0463 -9.7450 -10.0579 PRESSURE: 4138600 -258.448 -95.3798 -228.249 -95.3795 436.516 -51.2695 -228.25 -51.2691 48.174 GPRESSURE: 4138600 -120.448 -122.823 -186.12 -171.573 412.059 -66.6108 -141.303 -35.8073 48.6115 PRESSAVG: 4138600 -50.4973 -12.6771 4.17635 -12.6771 29.3304 -13.8943 4.17643 -13.8943 -13.5665 GPRESSAVG: 4138600 -52.0564 -14.0471 4.94895 -13.3323 31.782 -12.3264 5.64462 -13.9559 -13.7381 TIMING: 4138600 CPU: 13150.7, 0.00319061/step Wall: 13150.7, 0.00319061/step, 0.763443 hours remaining, 239.125000 MB of memory in use. ENERGY: 4138600 3938.0878 20499.2351 14425.1253 266.9222 -203489.8239 2586.0433 0.0000 0.0000 51926.1913 -109848.2189 298.4205 -161774.4102 -109496.1287 298.8341 75.4141 113.4073 762150.2077 -11.5778 -11.3375 PRESSURE: 4138800 -160.221 -172.149 31.321 -172.149 -375.034 259.447 31.3207 259.446 -84.5688 GPRESSURE: 4138800 -170.53 -141.721 1.66864 -88.6182 -417.909 232.969 -81.3851 174.113 46.4314 PRESSAVG: 4138800 13.4708 -35.5908 -34.1066 -35.5907 -20.4336 30.292 -34.1066 30.292 -11.1195 GPRESSAVG: 4138800 14.4908 -33.5514 -35.522 -35.6673 -20.952 27.9608 -34.0716 32.7272 -11.4968 TIMING: 4138800 CPU: 13151.3, 0.0031747/step Wall: 13151.3, 0.0031747/step, 0.759458 hours remaining, 239.125000 MB of memory in use. ENERGY: 4138800 3942.8836 20707.9140 14343.0397 231.0234 -203108.6403 2240.9783 0.0000 0.0000 51889.7686 -109753.0326 298.2112 -161642.8012 -109395.8312 298.8336 -206.6078 -180.6692 762753.0232 -6.0274 -5.9860 PRESSURE: 4139000 349.493 -101.468 -57.245 -101.469 -10.4254 174.56 -57.2452 174.56 468.566 GPRESSURE: 4139000 407.789 -103.93 -60.249 -133.487 33.1799 225.081 -208.674 85.9271 432.561 PRESSAVG: 4139000 37.8812 -16.1063 2.18929 -16.1063 -41.9702 -39.0692 2.18932 -39.0691 24.3228 GPRESSAVG: 4139000 37.3988 -16.5404 3.36617 -17.4116 -41.7766 -39.4194 0.416763 -41.6985 24.7335 TIMING: 4139000 CPU: 13152, 0.0031796/step Wall: 13152, 0.0031796/step, 0.760453 hours remaining, 239.125000 MB of memory in use. ENERGY: 4139000 3952.3358 20631.0896 14425.0594 260.8956 -203656.2351 2590.1343 0.0000 0.0000 52081.1047 -109715.6158 299.3108 -161796.7205 -109375.0656 298.9914 269.2109 291.1765 760392.3137 6.7446 6.7852 PRESSURE: 4139200 73.3044 32.4268 148.504 32.4259 3.12057 -328.97 148.504 -328.971 329.654 GPRESSURE: 4139200 169.115 58.6101 177.309 22.685 -34.1611 -308.476 219.15 -197.803 356.522 PRESSAVG: 4139200 17.9077 -4.09691 5.10251 -4.09696 -37.1712 -41.7067 5.1025 -41.7066 22.6754 GPRESSAVG: 4139200 17.5745 -6.67158 5.01085 -2.82291 -36.3852 -40.8116 4.95648 -39.5885 22.5093 TIMING: 4139200 CPU: 13152.6, 0.00317188/step Wall: 13152.6, 0.00317188/step, 0.758431 hours remaining, 239.125000 MB of memory in use. ENERGY: 4139200 4023.1400 20494.6180 14441.5626 247.1514 -203631.4577 2599.5906 0.0000 0.0000 52090.6872 -109734.7081 299.3659 -161825.3952 -109376.5758 299.1628 135.3596 163.8250 761128.5621 1.1373 1.2329 PRESSURE: 4139400 -227.447 100.795 -142.766 100.795 329.752 -11.5745 -142.766 -11.575 108.982 GPRESSURE: 4139400 -96.9076 -1.57784 -143.915 110.525 339.088 -34.2951 -142.678 76.3273 65.4453 PRESSAVG: 4139400 8.93959 11.1061 -13.6444 11.1061 -1.33811 -16.1513 -13.6445 -16.1513 5.20687 GPRESSAVG: 4139400 9.08188 13.2287 -13.5121 10.2448 -2.16234 -15.1444 -15.0407 -18.3423 5.56598 TIMING: 4139400 CPU: 13153.3, 0.0031948/step Wall: 13153.3, 0.0031948/step, 0.763734 hours remaining, 239.125000 MB of memory in use. ENERGY: 4139400 3989.9659 20469.8306 14383.1902 238.6294 -203692.4759 2714.4179 0.0000 0.0000 52226.2329 -109670.2089 300.1449 -161896.4418 -109314.9297 298.6716 70.4290 102.5419 759630.9257 4.2694 4.1618 PRESSURE: 4139600 -495.423 81.3429 -111.108 81.3416 -170.939 -125.364 -111.108 -125.363 -315.373 GPRESSURE: 4139600 -477.527 84.4041 -54.143 -18.4138 -29.2914 -97.806 -59.0316 -24.5977 -391.311 PRESSAVG: 4139600 -50.7739 22.0903 20.4401 22.0903 43.4805 -47.0623 20.4402 -47.0623 -21.1455 GPRESSAVG: 4139600 -51.4843 20.9348 19.9654 21.5927 44.8881 -48.2573 22.1483 -45.7042 -22.0637 TIMING: 4139600 CPU: 13153.9, 0.00320413/step Wall: 13153.9, 0.00320413/step, 0.765788 hours remaining, 239.125000 MB of memory in use. ENERGY: 4139600 3983.3219 20473.7248 14405.9163 247.8619 -203431.8132 2425.0285 0.0000 0.0000 52288.8995 -109607.0602 300.5050 -161895.9598 -109234.5531 299.7370 -327.2450 -299.3762 761272.7916 -9.4796 -9.5533 PRESSURE: 4139800 -296.506 -428.542 -7.15007 -428.542 -153.672 -230.75 -7.15065 -230.748 214.798 GPRESSURE: 4139800 -235.49 -261.688 53.1872 -355.118 -211.895 -248.355 -123.834 -280.921 297.27 PRESSAVG: 4139800 -38.9503 1.9577 21.7187 1.95765 17.9707 -89.6356 21.7186 -89.6356 -26.1807 GPRESSAVG: 4139800 -36.9012 3.00429 22.471 1.78734 16.4948 -89.6725 18.929 -91.825 -26.5175 TIMING: 4139800 CPU: 13154.5, 0.00322117/step Wall: 13154.5, 0.00322117/step, 0.769682 hours remaining, 239.125000 MB of memory in use. ENERGY: 4139800 4009.8523 20579.7780 14340.6381 240.1823 -203613.3033 2840.6717 0.0000 0.0000 52201.4927 -109400.6882 300.0027 -161602.1809 -109034.2078 299.3593 -78.4601 -50.0380 761139.0892 -15.7201 -15.6413 PRESSURE: 4140000 -249.556 53.0164 -45.3616 53.0178 100.519 110.489 -45.3612 110.489 -60.1011 GPRESSURE: 4140000 -315.178 -83.7857 -180.894 98.2781 140.845 87.2896 -8.69779 150.276 61.0307 PRESSAVG: 4140000 -39.9246 19.2915 -7.79406 19.2915 46.3089 -57.2193 -7.79408 -57.2193 -12.3452 GPRESSAVG: 4140000 -40.686 20.9088 -9.54777 18.9383 47.161 -55.7997 -3.79898 -54.6235 -12.4388 TIMING: 4140000 CPU: 13155.2, 0.00324668/step Wall: 13155.2, 0.00324668/step, 0.775596 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4140000 3982.2505 20596.4735 14430.6414 247.3582 -203334.4515 2762.5320 0.0000 0.0000 51921.6518 -109393.5440 298.3944 -161315.1959 -109030.6443 299.8476 -69.7129 -37.7674 762138.4524 -1.9870 -1.9879 PRESSURE: 4140200 -290.723 -32.7742 157.206 -32.7738 -161.595 67.1036 157.205 67.1036 -296.323 GPRESSURE: 4140200 -183.647 43.3721 0.123725 -117.647 -111.515 42.5268 76.843 27.7398 -395.584 PRESSAVG: 4140200 -32.6371 29.8542 0.210496 29.8541 73.5346 41.0199 0.210542 41.0199 0.407557 GPRESSAVG: 4140200 -34.3341 28.3274 1.67679 30.61 74.5515 41.2725 -0.498836 39.871 0.91778 TIMING: 4140200 CPU: 13155.9, 0.00333322/step Wall: 13155.9, 0.00333322/step, 0.796085 hours remaining, 239.125000 MB of memory in use. ENERGY: 4140200 4049.1500 20555.6050 14447.6621 242.3274 -203092.2740 2405.3596 0.0000 0.0000 52036.3311 -109355.8388 299.0535 -161392.1699 -109008.1989 299.8343 -249.5472 -230.2488 761031.4685 13.7683 13.7117 LDB: ============= START OF LOAD BALANCING ============== 13168.3 LDB: ============== END OF LOAD BALANCING =============== 13168.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13168.3 LDB: ============= START OF LOAD BALANCING ============== 13168.6 LDB: Largest compute 7034 load 0.037290 is 19.0% of average load 0.196031 LDB: Average compute 0.004400 is 2.2% of average load 0.196031 LDB: TIME 13168.6 LOAD: AVG 0.196031 MAX 0.218692 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.762 MB LDB: TIME 13168.6 LOAD: AVG 0.196031 MAX 0.218692 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.762 MB LDB: TIME 13168.6 LOAD: AVG 0.196031 MAX 0.218692 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.762 MB LDB: ============== END OF LOAD BALANCING =============== 13168.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13168.6 PRESSURE: 4140400 -326.046 91.2152 250.997 91.2154 59.9114 88.564 250.996 88.5644 -66.776 GPRESSURE: 4140400 -298.387 -67.1653 223.413 2.91891 116.757 76.3612 52.0216 46.4351 -45.066 PRESSAVG: 4140400 -92.2928 -7.66186 28.7411 -7.6618 34.287 6.60062 28.7411 6.6005 -0.510116 GPRESSAVG: 4140400 -91.0784 -8.93304 28.0919 -6.13394 33.6635 5.55177 26.3818 6.38442 -1.1265 TIMING: 4140400 CPU: 13156.5, 0.00336354/step Wall: 13156.5, 0.00336354/step, 0.803139 hours remaining, 239.703125 MB of memory in use. ENERGY: 4140400 4063.0412 20557.0288 14296.6186 244.7526 -203196.2370 2522.0613 0.0000 0.0000 52199.3276 -109313.4068 299.9903 -161512.7344 -108951.6015 300.0989 -110.9703 -75.5655 764022.4704 -19.5053 -19.5138 PRESSURE: 4140600 -289.14 -46.3909 20.734 -46.3909 -92.2365 -74.5508 20.733 -74.5508 -154.582 GPRESSURE: 4140600 -369.565 -119.798 -7.81637 -161.765 -10.4897 -108.844 -21.3441 -14.1927 -63.6592 PRESSAVG: 4140600 -89.7683 -2.2343 23.1863 -2.23432 -3.65649 61.4626 23.1863 61.4626 27.127 GPRESSAVG: 4140600 -89.8057 -2.48879 23.9975 -2.9179 -3.69091 61.4768 23.2271 61.3382 26.9926 TIMING: 4140600 CPU: 13157.2, 0.003198/step Wall: 13157.2, 0.003198/step, 0.763433 hours remaining, 239.703125 MB of memory in use. ENERGY: 4140600 4051.3955 20445.2952 14509.5290 232.9094 -203189.2416 2511.2767 0.0000 0.0000 52165.7001 -109273.1356 299.7970 -161438.8357 -108907.3492 299.3853 -178.6529 -147.9048 762582.2665 -22.0993 -22.1680 PRESSURE: 4140800 -146.961 89.8572 -159.557 89.8571 172.356 66.4451 -159.557 66.4443 -13.3126 GPRESSURE: 4140800 -114.977 126.453 -100.611 81.8931 215.492 -48.5867 -210.306 17.7945 3.18889 PRESSAVG: 4140800 -69.5111 -12.6829 -40.9891 -12.6829 49.3886 7.01021 -40.989 7.01026 -5.02308 GPRESSAVG: 4140800 -70.058 -11.3635 -40.2735 -16.2959 49.1153 5.58215 -40.6398 8.03112 -3.81349 TIMING: 4140800 CPU: 13157.8, 0.00318455/step Wall: 13157.8, 0.00318456/step, 0.760047 hours remaining, 239.703125 MB of memory in use. ENERGY: 4140800 4068.0532 20727.7337 14417.2045 242.6932 -203241.1626 2576.5903 0.0000 0.0000 51995.3270 -109213.5608 298.8179 -161208.8878 -108858.1193 299.9446 4.0275 34.5679 762018.4475 -8.3819 -8.2520 PRESSURE: 4141000 -154.775 66.1832 -347.523 66.183 -135.375 140.803 -347.524 140.803 -269.941 GPRESSURE: 4141000 -186.286 28.6018 -303.424 58.8116 -71.7194 135.907 -335.265 101.71 -217.435 PRESSAVG: 4141000 -58.2727 -21.9437 -20.9073 -21.9437 58.748 41.3957 -20.9073 41.3957 -19.5428 GPRESSAVG: 4141000 -57.8892 -22.2032 -21.5073 -18.3039 58.9799 40.8075 -18.7159 43.0611 -20.1143 TIMING: 4141000 CPU: 13158.4, 0.00321713/step Wall: 13158.4, 0.00321713/step, 0.767643 hours remaining, 239.703125 MB of memory in use. ENERGY: 4141000 4082.5292 20444.3355 14432.2948 243.9190 -203039.2358 2532.6952 0.0000 0.0000 52020.8095 -109282.6526 298.9643 -161303.4621 -108914.8266 299.7747 -186.6971 -158.4801 762319.8410 -6.3558 -6.3412 PRESSURE: 4141200 195.749 95.1812 234.916 95.1808 540.568 23.4543 234.916 23.4545 174.536 GPRESSURE: 4141200 252.86 15.0704 191.056 85.4796 504.841 55.887 -5.09755 -0.337457 245.959 PRESSAVG: 4141200 -49.0515 11.2036 29.7864 11.2036 48.786 27.048 29.7864 27.048 -0.235367 GPRESSAVG: 4141200 -48.1793 9.70393 30.2738 10.892 47.3852 29.4492 27.2716 24.0813 0.167601 TIMING: 4141200 CPU: 13159.1, 0.00321107/step Wall: 13159.1, 0.00321107/step, 0.766018 hours remaining, 239.703125 MB of memory in use. ENERGY: 4141200 3879.1721 20598.9088 14320.8744 240.4775 -203162.4202 2705.0397 0.0000 0.0000 51946.0441 -109471.9037 298.5346 -161417.9478 -109112.0438 299.5414 303.6179 334.5534 762325.3563 -0.1669 -0.2088 PRESSURE: 4141400 -199.171 -38.4867 67.2267 -38.487 -337.471 213.082 67.2266 213.082 16.2303 GPRESSURE: 4141400 -97.874 22.4033 134.44 57.9654 -346.175 168.951 81.1588 131.346 9.89481 PRESSAVG: 4141400 -28.453 -17.4425 73.1678 -17.4425 4.68238 -9.90678 73.1678 -9.90683 3.77522 GPRESSAVG: 4141400 -28.2885 -15.2233 73.9505 -18.2744 5.84717 -11.5297 73.4463 -9.91014 3.03546 TIMING: 4141400 CPU: 13159.7, 0.00322128/step Wall: 13159.7, 0.00322128/step, 0.768275 hours remaining, 239.703125 MB of memory in use. ENERGY: 4141400 4033.5502 20461.1546 14466.0735 254.1231 -202951.1504 2332.7433 0.0000 0.0000 51816.3591 -109587.1465 297.7893 -161403.5057 -109222.6965 298.5903 -173.4708 -144.7179 762291.3272 -6.6651 -6.4686 PRESSURE: 4141600 16.035 228.419 197.388 228.418 229.933 5.56463 197.388 5.565 322.354 GPRESSURE: 4141600 26.652 218.043 234.323 129.403 215.667 27.8319 113.663 -48.3206 386.207 PRESSAVG: 4141600 -35.8869 25.702 56.473 25.702 40.4266 7.14196 56.473 7.14207 -7.05302 GPRESSAVG: 4141600 -36.6183 23.398 56.3908 27.4863 40.5999 7.34352 57.9657 8.42834 -6.30637 TIMING: 4141600 CPU: 13160.4, 0.0032791/step Wall: 13160.4, 0.0032791/step, 0.781883 hours remaining, 239.703125 MB of memory in use. ENERGY: 4141600 3933.2553 20430.2328 14395.3441 263.1836 -202919.1596 2464.8503 0.0000 0.0000 51941.3955 -109490.8980 298.5079 -161432.2935 -109123.7312 298.6043 189.4407 209.5085 760629.8221 -0.8377 -0.7749 PRESSURE: 4141800 -229.126 -92.2248 -17.0057 -92.2247 -142.635 -28.7847 -17.0061 -28.785 -19.9812 GPRESSURE: 4141800 -164.737 -38.2344 -14.5158 -40.8511 -161.332 62.23 -22.2349 -19.0257 14.0258 PRESSAVG: 4141800 -17.9322 -31.3005 28.3307 -31.3006 22.4379 56.7379 28.3307 56.7379 0.253518 GPRESSAVG: 4141800 -17.6752 -30.8059 27.4997 -32.919 21.9384 56.736 26.9597 56.2084 0.660397 TIMING: 4141800 CPU: 13161, 0.00319421/step Wall: 13161, 0.00319421/step, 0.761465 hours remaining, 239.703125 MB of memory in use. ENERGY: 4141800 3973.7809 20327.0482 14410.0343 247.3192 -203466.0447 2704.9620 0.0000 0.0000 52138.8585 -109664.0416 299.6427 -161802.9001 -109307.2394 298.7343 -130.5808 -104.0143 761031.9061 1.5864 1.6412 PRESSURE: 4142000 81.4312 -15.7357 -67.6364 -15.7358 -388.574 351.443 -67.637 351.442 -216.449 GPRESSURE: 4142000 43.9053 -42.6294 -75.1865 -42.2863 -288.631 326.721 -222.359 278.506 -198.378 PRESSAVG: 4142000 -4.94173 32.8949 -16.2963 32.895 20.9561 15.1172 -16.2963 15.1172 -33.9395 GPRESSAVG: 4142000 -4.38245 35.2011 -16.9493 32.1618 21.0425 16.7901 -14.7954 15.2189 -34.3745 TIMING: 4142000 CPU: 13161.7, 0.00321993/step Wall: 13161.7, 0.00321993/step, 0.767418 hours remaining, 239.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4142000 4031.4249 20488.5064 14394.5403 237.2848 -203389.8973 2583.8814 0.0000 0.0000 52162.8103 -109491.4492 299.7804 -161654.2595 -109134.5101 298.7074 -174.5306 -147.7013 761767.5603 -5.9750 -5.9048 PRESSURE: 4142200 -289.63 -3.50179 48.0765 -3.50211 -341.662 -143.293 48.0767 -143.293 -368.125 GPRESSURE: 4142200 -285.427 37.6725 15.9638 98.2648 -332.092 -104.251 34.5167 -295.292 -291.818 PRESSAVG: 4142200 30.5738 -40.345 -45.6643 -40.345 -14.7625 42.1722 -45.6643 42.1723 7.07032 GPRESSAVG: 4142200 31.3004 -43.6529 -46.9311 -39.2984 -14.4755 40.703 -45.2379 42.2295 6.27052 TIMING: 4142200 CPU: 13162.3, 0.00320252/step Wall: 13162.3, 0.00320252/step, 0.76309 hours remaining, 239.703125 MB of memory in use. ENERGY: 4142200 4021.1838 20621.0840 14376.6117 242.1486 -203121.8996 2195.1517 0.0000 0.0000 52121.9105 -109543.8093 299.5453 -161665.7197 -109177.1737 299.4502 -333.1390 -303.1125 761308.0794 7.6272 7.6985 PRESSURE: 4142400 -102.51 283.763 143.075 283.762 -173.226 -127.489 143.074 -127.489 126.178 GPRESSURE: 4142400 -80.8355 180.349 127.264 260.457 -190.524 -111.598 60.4934 -17.5725 205.774 PRESSAVG: 4142400 -4.84776 12.8618 15.1948 12.8618 -24.3101 -11.9788 15.1948 -11.9788 7.91663 GPRESSAVG: 4142400 -5.50158 13.9204 16.4988 11.8837 -23.5575 -10.3023 15.3305 -12.5369 7.85155 TIMING: 4142400 CPU: 13163, 0.00324946/step Wall: 13163, 0.00324946/step, 0.774095 hours remaining, 239.703125 MB of memory in use. ENERGY: 4142400 3971.0076 20493.0578 14350.4613 236.8769 -203159.4538 2569.7073 0.0000 0.0000 52045.8714 -109492.4715 299.1083 -161538.3430 -109130.0159 299.3453 -49.8529 -21.8620 761474.5533 -7.0804 -7.0692 PRESSURE: 4142600 350.908 24.9086 4.57037 24.909 -7.57689 -42.3769 4.57016 -42.3776 -151.43 GPRESSURE: 4142600 380.103 103.069 -15.3482 94.4146 -8.50866 -181.222 -17.0256 60.9504 -80.3711 PRESSAVG: 4142600 -8.31557 34.0079 40.5768 34.0079 6.34289 1.90232 40.5768 1.90222 16.7823 GPRESSAVG: 4142600 -7.88557 32.8393 40.6745 33.9639 5.70531 0.0866592 39.0735 2.72519 17.7703 TIMING: 4142600 CPU: 13163.6, 0.00324783/step Wall: 13163.6, 0.00324783/step, 0.773524 hours remaining, 239.703125 MB of memory in use. ENERGY: 4142600 3937.4953 20532.8914 14383.1725 243.6393 -203456.5451 2824.0037 0.0000 0.0000 52141.2110 -109394.1318 299.6563 -161535.3429 -109036.5758 299.3787 63.9670 97.0743 762596.3861 4.9365 5.1967 PRESSURE: 4142800 -135.231 31.2379 -93.9118 31.2374 170.318 72.3653 -93.9117 72.366 -169.184 GPRESSURE: 4142800 -77.2145 56.1105 -169.676 58.7375 221.429 127.536 -59.2198 -35.6264 -189.327 PRESSAVG: 4142800 -13.541 -24.0882 28.686 -24.0882 -20.9197 26.0597 28.686 26.0597 -10.886 GPRESSAVG: 4142800 -14.2785 -24.0469 29.7155 -24.1571 -20.2663 27.1296 28.5607 24.9538 -11.2649 TIMING: 4142800 CPU: 13164.3, 0.00319318/step Wall: 13164.3, 0.00319318/step, 0.760332 hours remaining, 239.703125 MB of memory in use. ENERGY: 4142800 3996.9282 20449.1361 14339.9960 230.9452 -203215.3687 2768.4577 0.0000 0.0000 51861.4542 -109568.4512 298.0485 -161429.9054 -109210.6353 298.6828 -44.6991 -15.0374 763150.2941 -15.1155 -15.2699 PRESSURE: 4143000 48.5372 148.199 2.71005 148.2 -398.107 -30.8805 2.70954 -30.8813 81.1595 GPRESSURE: 4143000 59.9054 60.5541 28.2441 24.6902 -345.673 13.3385 106.971 99.9806 91.9579 PRESSAVG: 4143000 -25.0999 -80.254 -77.1015 -80.2539 47.2505 42.7535 -77.1015 42.7535 37.068 GPRESSAVG: 4143000 -23.6551 -78.4951 -76.8659 -81.5719 46.563 41.6329 -75.5936 43.6024 36.7053 TIMING: 4143000 CPU: 13164.9, 0.0031812/step Wall: 13164.9, 0.0031812/step, 0.757303 hours remaining, 239.703125 MB of memory in use. ENERGY: 4143000 4026.0774 20363.8309 14378.6518 262.6872 -203068.4323 2410.1636 0.0000 0.0000 52187.3749 -109439.6465 299.9216 -161627.0213 -109074.9580 299.2505 -89.4700 -64.6034 761729.1121 19.7395 19.8711 PRESSURE: 4143200 -357.048 97.9424 -5.25908 97.9417 -131.522 -6.4105 -5.26074 -6.41088 -39.7686 GPRESSURE: 4143200 -325.84 -43.5094 -10.7458 78.5775 -24.3506 -78.7935 -128.994 107.221 -86.4457 PRESSAVG: 4143200 -48.6775 -1.09854 45.6896 -1.09848 36.311 35.0653 45.6896 35.0653 -11.5766 GPRESSAVG: 4143200 -49.1522 -1.01096 45.9263 2.75405 37.0021 36.3812 44.6883 35.6597 -11.6035 TIMING: 4143200 CPU: 13165.5, 0.00317512/step Wall: 13165.5, 0.00317512/step, 0.755679 hours remaining, 239.703125 MB of memory in use. ENERGY: 4143200 3940.3976 20449.7321 14403.9648 225.1112 -202655.4759 2214.8044 0.0000 0.0000 52044.3103 -109377.1556 299.0994 -161421.4659 -109014.7486 298.8249 -176.1130 -145.5454 762278.2038 -7.9810 -7.9179 PRESSURE: 4143400 -81.6988 -219.906 -25.4578 -219.906 48.7059 -161.167 -25.4581 -161.167 273.555 GPRESSURE: 4143400 -26.8114 -209.678 10.6432 -206.002 43.8905 -118.379 -62.9752 -56.3371 301.718 PRESSAVG: 4143400 -63.479 4.334 20.3042 4.33404 76.1208 -9.02227 20.3042 -9.02223 17.9234 GPRESSAVG: 4143400 -64.5189 2.50459 19.7571 2.75698 76.9961 -8.6331 19.1238 -12.0197 18.166 TIMING: 4143400 CPU: 13166.2, 0.00318661/step Wall: 13166.2, 0.00318661/step, 0.758236 hours remaining, 239.703125 MB of memory in use. ENERGY: 4143400 3924.3758 20662.0210 14396.5089 233.6075 -202756.9569 2200.2438 0.0000 0.0000 52121.6174 -109218.5825 299.5437 -161340.1999 -108862.9053 299.7038 80.1873 106.2656 761457.3447 10.1884 10.2144 PRESSURE: 4143600 -326.823 199.829 -58.9664 199.828 -388.604 47.2392 -58.9664 47.238 -264.381 GPRESSURE: 4143600 -208.56 78.8956 -42.752 90.1734 -396.16 -45.8335 14.1454 -16.1737 -280.106 PRESSAVG: 4143600 -60.2049 18.3325 7.63609 18.3325 44.6415 12.1831 7.6361 12.1831 -2.72022 GPRESSAVG: 4143600 -58.8127 18.9466 8.49484 19.6412 42.9199 10.3819 9.91734 15.0188 -2.56141 TIMING: 4143600 CPU: 13166.8, 0.00315988/step Wall: 13166.8, 0.00315988/step, 0.751701 hours remaining, 239.703125 MB of memory in use. ENERGY: 4143600 4007.7068 20410.6401 14355.5438 253.7203 -202733.5443 2273.9458 0.0000 0.0000 52201.1670 -109230.8206 300.0008 -161431.9876 -108856.3255 299.4538 -326.6027 -294.9419 762794.2109 -6.0945 -6.1514 PRESSURE: 4143800 -187.025 -96.3078 -197.725 -96.3087 266.247 190.325 -197.725 190.325 421.054 GPRESSURE: 4143800 -89.1615 -136.889 -194.26 8.58758 290.867 137.318 -140.703 146.925 378.231 PRESSAVG: 4143800 21.7142 -8.61836 4.69078 -8.61833 9.73864 -3.4346 4.6908 -3.43458 28.5686 GPRESSAVG: 4143800 20.9028 -7.69978 1.31579 -9.55618 10.7031 -3.62768 6.16086 -4.02819 28.4273 TIMING: 4143800 CPU: 13167.4, 0.0031935/step Wall: 13167.4, 0.0031935/step, 0.759521 hours remaining, 239.703125 MB of memory in use. ENERGY: 4143800 3961.5500 20592.0396 14360.0462 226.3765 -202817.7814 2221.4651 0.0000 0.0000 51987.5699 -109468.7342 298.7733 -161456.3040 -109116.7449 298.9316 166.7584 193.3122 760847.7781 20.0071 20.0111 PRESSURE: 4144000 -130.209 -139.092 -44.244 -139.092 41.4131 80.8013 -44.244 80.8019 223.906 GPRESSURE: 4144000 -73.2189 -77.3178 -41.0624 -127.943 83.0388 133.328 51.7747 26.3805 194.173 PRESSAVG: 4144000 -31.3129 -7.49205 -6.20355 -7.49204 15.9984 16.9758 -6.20356 16.9758 10.2627 GPRESSAVG: 4144000 -32.6752 -7.76873 -4.02278 -8.01397 15.8325 16.6675 -7.85953 18.2812 11.4184 TIMING: 4144000 CPU: 13168.1, 0.00319399/step Wall: 13168.1, 0.00319399/step, 0.759461 hours remaining, 239.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4144000 3921.4567 20491.5994 14395.4449 229.2739 -203034.6957 2393.6384 0.0000 0.0000 52011.0888 -109592.1935 298.9084 -161603.2823 -109225.2364 299.0474 45.0366 67.9975 760648.8765 -1.6839 -1.8081 PRESSURE: 4144200 84.0094 -122.664 -98.2256 -122.665 318.974 86.9365 -98.2261 86.9352 51.037 GPRESSURE: 4144200 60.9736 -22.7114 -83.0075 -134.32 363.932 135.066 -4.76878 78.0065 106.675 PRESSAVG: 4144200 -19.7585 -33.6079 35.6845 -33.6079 28.0149 11.6988 35.6845 11.6988 27.4327 GPRESSAVG: 4144200 -18.9983 -32.746 36.6411 -32.6075 27.6257 12.6983 37.278 10.0494 26.8166 TIMING: 4144200 CPU: 13168.7, 0.00323216/step Wall: 13168.7, 0.00323216/step, 0.768357 hours remaining, 239.703125 MB of memory in use. ENERGY: 4144200 4049.4990 20471.7218 14415.6376 257.5330 -203227.1352 2609.7393 0.0000 0.0000 51937.7951 -109485.2095 298.4872 -161423.0046 -109131.9436 298.8406 151.3402 177.1935 762285.9508 11.8964 11.8147 LDB: ============= START OF LOAD BALANCING ============== 13181.1 LDB: ============== END OF LOAD BALANCING =============== 13181.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13181.1 LDB: ============= START OF LOAD BALANCING ============== 13181.4 LDB: Largest compute 7033 load 0.034431 is 17.6% of average load 0.196113 LDB: Average compute 0.004407 is 2.2% of average load 0.196113 LDB: TIME 13181.4 LOAD: AVG 0.196113 MAX 0.220915 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.344 MB LDB: TIME 13181.4 LOAD: AVG 0.196113 MAX 0.220915 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: TIME 13181.4 LOAD: AVG 0.196113 MAX 0.216385 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.547 MB LDB: ============== END OF LOAD BALANCING =============== 13181.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13181.5 PRESSURE: 4144400 -245.143 -28.6972 133.652 -28.6983 10.4873 37.2472 133.652 37.2475 -174.996 GPRESSURE: 4144400 -158.817 -28.3487 95.3624 -54.9276 -71.1713 45.5023 53.6762 -69.5886 -106.11 PRESSAVG: 4144400 -56.3968 -43.7469 -17.1149 -43.7469 50.8073 -10.7419 -17.1149 -10.7419 10.5375 GPRESSAVG: 4144400 -55.5344 -43.766 -18.0212 -44.4033 49.4801 -9.49088 -18.0002 -11.7788 11.087 TIMING: 4144400 CPU: 13169.4, 0.00329032/step Wall: 13169.4, 0.00329032/step, 0.782 hours remaining, 238.605469 MB of memory in use. ENERGY: 4144400 3924.1232 20338.7429 14354.3947 248.2185 -203120.0505 2474.6431 0.0000 0.0000 52006.3653 -109773.5629 298.8813 -161779.9282 -109410.1422 299.1067 -136.5504 -112.0327 762611.2824 1.6493 1.6775 PRESSURE: 4144600 -291.932 28.7643 148.101 28.7636 -55.9339 167.18 148.101 167.18 105.372 GPRESSURE: 4144600 -189.079 21.5519 133.163 77.0743 -69.6807 169.078 38.0951 168.645 100.156 PRESSAVG: 4144600 3.79263 -54.7515 -24.5972 -54.7516 -83.471 -13.768 -24.5972 -13.768 8.95409 GPRESSAVG: 4144600 4.06394 -54.3431 -26.7657 -54.2313 -82.9037 -13.8612 -24.0495 -14.1964 7.66565 TIMING: 4144600 CPU: 13170, 0.00326205/step Wall: 13170, 0.00326205/step, 0.775099 hours remaining, 238.605469 MB of memory in use. ENERGY: 4144600 3846.4116 20327.8687 14350.5602 235.1702 -202939.6867 2477.0013 0.0000 0.0000 51998.1984 -109704.4762 298.8344 -161702.6747 -109343.9911 298.3743 -80.8314 -52.8680 761772.9945 -23.5747 -23.7247 PRESSURE: 4144800 -253.962 -36.2148 -308.553 -36.2148 -451.095 30.0802 -308.554 30.0805 -48.9768 GPRESSURE: 4144800 -328.012 -75.5406 -301.228 -11.4514 -243.738 -25.1149 -234.531 8.15292 -68.607 PRESSAVG: 4144800 47.3552 7.75606 13.2711 7.75605 -14.5678 -46.9969 13.2711 -46.9969 17.0762 GPRESSAVG: 4144800 46.0223 6.84462 13.5643 8.53759 -14.1777 -47.3252 13.5294 -45.4153 18.1782 TIMING: 4144800 CPU: 13170.7, 0.00321988/step Wall: 13170.7, 0.00321988/step, 0.7649 hours remaining, 238.605469 MB of memory in use. ENERGY: 4144800 4038.3298 20322.8854 14335.2427 247.5947 -203057.7903 2328.9788 0.0000 0.0000 52077.2485 -109707.5102 299.2887 -161784.7587 -109339.9767 298.6046 -251.3446 -213.4524 762181.5523 16.6212 16.6743 PRESSURE: 4145000 622.243 -79.0697 -139.264 -79.0699 212.261 -57.2627 -139.265 -57.2619 513.509 GPRESSURE: 4145000 623.222 -32.7855 -166.631 -79.5274 181.545 -112.233 -86.48 20.5161 626.947 PRESSAVG: 4145000 -23.7361 -38.4046 -50.7943 -38.4046 -4.09401 25.0385 -50.7943 25.0385 -1.14362 GPRESSAVG: 4145000 -23.555 -39.4255 -49.0213 -39.6237 -4.50556 23.953 -53.2431 25.0323 -0.727729 TIMING: 4145000 CPU: 13171.3, 0.00322556/step Wall: 13171.3, 0.00322556/step, 0.766071 hours remaining, 238.605469 MB of memory in use. ENERGY: 4145000 4012.7121 20445.0347 14320.4992 241.1395 -203538.1120 2842.4441 0.0000 0.0000 52124.1704 -109552.1118 299.5583 -161676.2823 -109200.8752 299.0498 449.3378 477.2378 761304.8390 -9.6579 -9.5961 PRESSURE: 4145200 -295.249 -96.0959 87.7558 -96.0964 268.332 -181.883 87.7554 -181.884 -50.4137 GPRESSURE: 4145200 -166.477 -128.859 109.789 -166.191 259.849 -180.325 59.4195 -57.0694 -74.8693 PRESSAVG: 4145200 -31.6206 -37.8429 -29.5483 -37.843 6.0138 -10.9506 -29.5483 -10.9505 -5.53062 GPRESSAVG: 4145200 -29.7187 -36.9496 -29.9658 -37.1779 5.40837 -11.4493 -27.3085 -9.32538 -6.94027 TIMING: 4145200 CPU: 13172, 0.00322632/step Wall: 13172, 0.00322632/step, 0.766072 hours remaining, 238.605469 MB of memory in use. ENERGY: 4145200 3945.1118 20534.8093 14387.0440 239.6053 -203825.2787 2979.3896 0.0000 0.0000 52385.1514 -109354.1674 301.0582 -161739.3187 -108993.4559 299.8891 -25.7767 6.1674 761354.3861 -10.3791 -10.4169 PRESSURE: 4145400 -132.124 -167.539 16.263 -167.539 295.843 35.9694 16.2636 35.9688 165.847 GPRESSURE: 4145400 -71.7886 -63.6528 3.7833 -141.846 349.028 -9.86619 42.4513 -2.39923 126.793 PRESSAVG: 4145400 -18.1118 -16.1071 -20.7628 -16.107 19.4017 5.95625 -20.7628 5.95623 -13.5157 GPRESSAVG: 4145400 -19.2592 -14.9535 -21.7986 -18.517 19.9829 6.94136 -20.7275 3.95013 -12.2406 TIMING: 4145400 CPU: 13172.6, 0.0032156/step Wall: 13172.6, 0.0032156/step, 0.763347 hours remaining, 238.605469 MB of memory in use. ENERGY: 4145400 4049.1407 20621.6291 14320.3858 242.5572 -203559.4166 2862.0763 0.0000 0.0000 52047.0512 -109416.5764 299.1151 -161463.6276 -109054.0865 299.3045 109.8554 134.6776 761656.0444 -4.0753 -3.8390 PRESSURE: 4145600 -171.484 44.5403 80.1863 44.5402 -279.942 165.816 80.1869 165.817 117.036 GPRESSURE: 4145600 -78.5191 45.569 119.266 -45.9755 -213.984 161.728 18.8526 125.269 46.5037 PRESSAVG: 4145600 -49.867 -34.1607 -26.5986 -34.1606 18.592 10.8496 -26.5985 10.8496 -26.2006 GPRESSAVG: 4145600 -50.5755 -35.018 -26.7614 -33.5503 19.7409 11.6262 -27.4217 9.11358 -26.091 TIMING: 4145600 CPU: 13173.2, 0.00319528/step Wall: 13173.2, 0.00319528/step, 0.758346 hours remaining, 238.605469 MB of memory in use. ENERGY: 4145600 3961.3351 20548.8262 14343.6481 234.6464 -203093.6948 2372.3533 0.0000 0.0000 52383.8789 -109249.0069 301.0509 -161632.8857 -108887.2830 299.4500 -111.4635 -81.9996 762525.2949 -19.1586 -18.9752 PRESSURE: 4145800 -138.529 -292.32 119.305 -292.321 -161.089 -94.1079 119.305 -94.107 -6.0114 GPRESSURE: 4145800 -119.636 -378.004 114.025 -239.307 -57.6132 -36.382 9.67717 41.8088 -46.9716 PRESSAVG: 4145800 8.00931 -103.202 -12.74 -103.202 11.6384 31.9437 -12.7401 31.9437 -11.0958 GPRESSAVG: 4145800 9.05944 -102.623 -10.3032 -103.394 11.5781 32.8956 -14.9298 33.629 -12.3737 TIMING: 4145800 CPU: 13173.9, 0.00317852/step Wall: 13173.9, 0.00317852/step, 0.754193 hours remaining, 238.605469 MB of memory in use. ENERGY: 4145800 4025.4599 20548.5692 14357.0975 240.8337 -202583.3508 2235.2475 0.0000 0.0000 52171.9795 -109004.1635 299.8331 -161176.1430 -108643.3550 299.9947 -101.8765 -74.7403 761275.3304 2.8506 2.7546 PRESSURE: 4146000 -175.699 -15.0898 -262.402 -15.0897 -155.757 291.743 -262.403 291.743 -203.689 GPRESSURE: 4146000 -53.4162 -118.089 -261.322 -45.6094 -173.535 253.744 -362.813 364.087 -234.649 PRESSAVG: 4146000 -24.6213 -61.9269 -44.7088 -61.9269 -17.3129 18.1324 -44.7088 18.1323 2.21793 GPRESSAVG: 4146000 -25.4997 -63.3044 -45.1331 -60.5572 -16.9502 17.7089 -44.5248 17.1842 3.19753 TIMING: 4146000 CPU: 13174.5, 0.00320556/step Wall: 13174.5, 0.00320556/step, 0.760431 hours remaining, 238.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4146000 4074.8457 20708.0993 14329.9814 269.8083 -203346.1332 2708.0064 0.0000 0.0000 52166.1012 -109089.2908 299.7993 -161255.3920 -108725.6659 300.3120 -178.3814 -153.8668 760716.8730 -13.2388 -13.0841 PRESSURE: 4146200 -200.295 47.0529 -199.543 47.0532 -106.582 -147.812 -199.544 -147.812 -172.731 GPRESSURE: 4146200 -104.477 43.8704 -138.889 39.7264 -83.9954 -126.073 -145.366 -261.833 -193.309 PRESSAVG: 4146200 -13.3828 16.1944 -44.5848 16.1943 48.1052 -17.7922 -44.5849 -17.7922 22.8347 GPRESSAVG: 4146200 -13.0829 18.5536 -46.2428 12.8186 47.5447 -18.3146 -41.806 -17.9344 23.3337 TIMING: 4146200 CPU: 13175.2, 0.00320331/step Wall: 13175.2, 0.00320331/step, 0.759718 hours remaining, 238.605469 MB of memory in use. ENERGY: 4146200 3972.0697 20575.1478 14422.2511 258.1440 -202754.2318 2314.9752 0.0000 0.0000 52344.3154 -108867.3286 300.8235 -161211.6440 -108491.7728 300.2111 -159.8695 -127.2606 762634.7765 19.1857 19.2652 PRESSURE: 4146400 -130.612 -185.376 83.9562 -185.376 -104.163 268.476 83.9569 268.476 114.095 GPRESSURE: 4146400 -104.908 -175.614 200.219 -82.7327 -24.2996 336.323 -75.034 132.975 124.951 PRESSAVG: 4146400 16.2005 -20.7673 -17.6677 -20.7673 -38.7373 14.5495 -17.6677 14.5496 7.65955 GPRESSAVG: 4146400 17.2724 -23.6961 -14.8811 -16.0541 -38.3916 13.9857 -18.978 15.8445 6.56471 TIMING: 4146400 CPU: 13175.8, 0.00320859/step Wall: 13175.8, 0.00320859/step, 0.760793 hours remaining, 238.605469 MB of memory in use. ENERGY: 4146400 4011.0032 20552.7672 14436.0181 261.0583 -202782.5486 2446.6001 0.0000 0.0000 52083.5012 -108991.6005 299.3246 -161075.1016 -108619.9523 300.4412 -40.2268 -1.4189 763221.5637 -4.9591 -4.8515 PRESSURE: 4146600 26.5489 10.3479 34.1595 10.3473 -296.583 -54.8824 34.159 -54.8826 -121.944 GPRESSURE: 4146600 -7.35678 37.0189 15.0451 70.7019 -156.9 -123.429 3.20578 -7.24491 -158.583 PRESSAVG: 4146600 -45.3932 -30.4078 -55.6255 -30.4077 37.6249 10.6937 -55.6256 10.6937 6.52256 GPRESSAVG: 4146600 -46.3888 -27.1934 -58.2982 -32.4163 38.6997 10.5122 -55.9837 10.5576 6.13768 TIMING: 4146600 CPU: 13176.4, 0.00320199/step Wall: 13176.4, 0.00320199/step, 0.759049 hours remaining, 238.605469 MB of memory in use. ENERGY: 4146600 3990.5469 20639.4209 14363.7343 253.0912 -202970.2485 2336.3387 0.0000 0.0000 52171.6888 -109215.4278 299.8314 -161387.1166 -108859.7962 300.0151 -130.6596 -107.6134 762369.3735 -0.4152 -0.5171 PRESSURE: 4146800 -134.77 106.74 -32.4526 106.74 -63.3855 83.7323 -32.4532 83.7328 -98.7756 GPRESSURE: 4146800 20.3993 52.3578 -35.1645 96.2314 -39.4017 84.795 -53.1544 72.2911 -144.693 PRESSAVG: 4146800 55.3478 -14.6952 -34.3362 -14.6952 -5.19274 66.0435 -34.3361 66.0435 3.14324 GPRESSAVG: 4146800 54.0177 -14.7599 -34.1652 -15.0554 -5.31382 66.5886 -34.0228 66.4524 5.06423 TIMING: 4146800 CPU: 13177.1, 0.00321684/step Wall: 13177.1, 0.00321684/step, 0.762391 hours remaining, 238.605469 MB of memory in use. ENERGY: 4146800 4031.8632 20304.0883 14391.6306 258.6842 -203181.3923 2730.9011 0.0000 0.0000 52034.5871 -109429.6378 299.0435 -161464.2249 -109072.8028 299.9729 -98.9771 -54.5651 761211.2047 17.7661 17.9227 PRESSURE: 4147000 -558.768 8.88206 -304.364 8.88113 -188.107 139.648 -304.363 139.648 -301.784 GPRESSURE: 4147000 -502.872 87 -244.661 -39.8764 -214.998 174.757 -156.404 103.047 -263.438 PRESSAVG: 4147000 -47.446 8.14112 -10.9457 8.14117 70.4955 19.5248 -10.9456 19.5247 0.692994 GPRESSAVG: 4147000 -45.4998 6.79366 -9.71174 8.91674 69.1623 17.9011 -8.71206 21.517 -0.0668344 TIMING: 4147000 CPU: 13177.7, 0.00323006/step Wall: 13177.7, 0.00323006/step, 0.765345 hours remaining, 238.605469 MB of memory in use. ENERGY: 4147000 4060.9229 20453.7987 14382.1701 233.5820 -203187.3249 2480.7594 0.0000 0.0000 52130.0960 -109445.9958 299.5924 -161576.0919 -109094.3268 299.4531 -349.5526 -327.1028 762710.3155 7.9142 7.8652 PRESSURE: 4147200 60.5358 27.3314 -138.598 27.3318 69.9819 25.2501 -138.598 25.2496 167.809 GPRESSURE: 4147200 108.863 -21.4717 -84.1008 -1.53449 46.7069 -8.0654 -100.565 5.65773 213.788 PRESSAVG: 4147200 -7.29485 31.7017 4.35312 31.7018 3.99832 26.8143 4.3531 26.8142 13.8005 GPRESSAVG: 4147200 -7.94299 30.5653 4.85043 32.7089 4.4047 27.8484 2.87794 24.2465 13.7807 TIMING: 4147200 CPU: 13178.4, 0.00319721/step Wall: 13178.4, 0.00319721/step, 0.757384 hours remaining, 238.605469 MB of memory in use. ENERGY: 4147200 3909.6761 20690.5473 14355.5441 255.5026 -203012.3705 2664.1297 0.0000 0.0000 51970.9283 -109166.0424 298.6776 -161136.9707 -108805.1009 299.6475 99.4423 123.1195 761749.1478 3.5013 3.4141 PRESSURE: 4147400 -251.907 -5.43228 175.012 -5.43119 -358.075 164.205 175.012 164.204 -358.431 GPRESSURE: 4147400 -269.833 42.0026 130.562 44.3709 -347.331 187.006 115.308 133.313 -263.932 PRESSAVG: 4147400 66.5928 11.7989 42.9786 11.7989 -66.1003 -6.06458 42.9786 -6.06456 26.5496 GPRESSAVG: 4147400 66.8823 15.221 42.0341 10.4386 -67.8738 -6.03091 41.2788 -5.59844 27.5315 TIMING: 4147400 CPU: 13179, 0.00321134/step Wall: 13179, 0.00321134/step, 0.760552 hours remaining, 238.605469 MB of memory in use. ENERGY: 4147400 3941.1716 20468.2265 14368.0594 257.6614 -202772.3199 2402.3572 0.0000 0.0000 52097.5298 -109237.3139 299.4052 -161334.8437 -108865.5473 299.6416 -322.8044 -293.6989 761963.0744 9.0140 8.8466 PRESSURE: 4147600 -189.965 -88.8602 -135.917 -88.8605 -183.63 168.315 -135.917 168.316 81.3483 GPRESSURE: 4147600 -91.4895 -180.893 -134.571 -79.6835 -185.769 173.676 63.2779 152.958 75.0341 PRESSAVG: 4147600 32.4342 -5.55266 2.38506 -5.55271 -20.1451 24.6557 2.38506 24.6557 13.4393 GPRESSAVG: 4147600 31.8912 -8.96852 3.09419 -5.43191 -18.8713 25.9647 3.89374 24.7725 12.7408 TIMING: 4147600 CPU: 13179.7, 0.00320778/step Wall: 13179.7, 0.00320778/step, 0.759531 hours remaining, 238.605469 MB of memory in use. ENERGY: 4147600 4056.0385 20431.1988 14328.1830 232.9399 -203447.5996 2827.4618 0.0000 0.0000 52490.4945 -109081.2831 301.6636 -161571.7776 -108710.0579 300.0289 -97.4154 -67.4080 762031.8603 8.5761 8.5869 PRESSURE: 4147800 -42.7471 -135.354 -37.9742 -135.354 148.67 121.309 -37.9732 121.31 -241.276 GPRESSURE: 4147800 68.4394 -71.6425 -46.6706 -131.359 109.879 63.4455 -154.95 100.425 -224.205 PRESSAVG: 4147800 39.689 -19.6943 -13.8868 -19.6944 -11.9334 25.4954 -13.8869 25.4954 18.238 GPRESSAVG: 4147800 40.9518 -17.3218 -13.9845 -20.558 -12.1046 24.4731 -13.6677 23.841 17.0444 TIMING: 4147800 CPU: 13180.3, 0.0032403/step Wall: 13180.3, 0.0032403/step, 0.76705 hours remaining, 238.605469 MB of memory in use. ENERGY: 4147800 4029.4864 20654.9498 14313.6041 276.5944 -203613.3096 3022.6182 0.0000 0.0000 52231.3053 -109084.7513 300.1740 -161316.0566 -108728.4718 300.1627 -45.1177 -15.2957 761336.6817 15.3312 15.2972 PRESSURE: 4148000 -343.554 -124.849 -93.8855 -124.848 40.2503 8.73242 -93.8854 8.73094 -255.774 GPRESSURE: 4148000 -293.955 -97.2324 -101.112 -123.751 34.6068 6.6261 -68.1545 23.6159 -228.099 PRESSAVG: 4148000 13.9926 -4.29677 -14.6743 -4.29667 -11.2602 12.4898 -14.6743 12.4898 2.27354 GPRESSAVG: 4148000 13.1001 -3.26827 -16.6573 -4.53714 -9.87439 13.2711 -14.4996 12.8258 2.49709 TIMING: 4148000 CPU: 13181, 0.00323795/step Wall: 13181, 0.00323795/step, 0.766316 hours remaining, 238.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4148000 4076.5770 20555.3637 14416.8022 261.7605 -203058.5287 2417.5318 0.0000 0.0000 52155.0405 -109175.4529 299.7357 -161330.4934 -108818.4220 300.2614 -186.3593 -162.4825 761535.3185 1.6687 1.9076 PRESSURE: 4148200 -217.589 233.51 -128.967 233.51 27.8488 -115.951 -128.967 -115.95 266.111 GPRESSURE: 4148200 -200.038 233.808 -97.6305 259.425 48.4865 -64.9222 -126.562 -212.573 361.611 PRESSAVG: 4148200 -32.3829 -22.4488 -26.1107 -22.4488 60.0702 51.0063 -26.1107 51.0063 -0.758645 GPRESSAVG: 4148200 -32.5372 -23.355 -22.8605 -22.8377 58.6688 50.6204 -25.0588 53.0517 0.988113 TIMING: 4148200 CPU: 13181.6, 0.00319262/step Wall: 13181.6, 0.00319262/step, 0.755409 hours remaining, 238.605469 MB of memory in use. ENERGY: 4148200 3922.3757 20501.0410 14433.3950 251.8266 -203375.2005 2717.6170 0.0000 0.0000 52265.2970 -109283.6483 300.3694 -161548.9453 -108925.7193 300.1461 25.4570 70.0201 759416.0712 8.9762 9.0399 LDB: ============= START OF LOAD BALANCING ============== 13194 LDB: ============== END OF LOAD BALANCING =============== 13194 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13194 LDB: ============= START OF LOAD BALANCING ============== 13194.3 LDB: Largest compute 7034 load 0.032507 is 16.6% of average load 0.196003 LDB: Average compute 0.004398 is 2.2% of average load 0.196003 LDB: TIME 13194.3 LOAD: AVG 0.196003 MAX 0.21855 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.438 MB LDB: TIME 13194.3 LOAD: AVG 0.196003 MAX 0.21855 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.438 MB LDB: TIME 13194.3 LOAD: AVG 0.196003 MAX 0.21855 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.438 MB LDB: ============== END OF LOAD BALANCING =============== 13194.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13194.3 PRESSURE: 4148400 1.80261 -32.2102 -107.152 -32.2107 45.244 372.619 -107.153 372.619 241.289 GPRESSURE: 4148400 114.709 -57.4966 -153.787 -26.9087 113.855 323.17 53.4744 512.854 173.384 PRESSAVG: 4148400 44.7964 -10.3979 27.3685 -10.3978 -36.7083 22.0643 27.3685 22.0643 4.01507 GPRESSAVG: 4148400 42.661 -13.0447 26.0837 -8.82947 -33.8795 23.1547 24.8126 20.595 2.63921 TIMING: 4148400 CPU: 13182.2, 0.00327713/step Wall: 13182.2, 0.00327713/step, 0.775223 hours remaining, 237.843750 MB of memory in use. ENERGY: 4148400 4007.5289 20523.8289 14386.1938 250.3130 -203326.8263 2736.7233 0.0000 0.0000 52073.8277 -109348.4107 299.2690 -161422.2384 -108981.3813 300.0942 96.1117 133.9825 760858.2211 4.0344 3.8069 PRESSURE: 4148600 -138.341 54.422 369.906 54.4223 -133.95 -307.382 369.906 -307.383 -40.3822 GPRESSURE: 4148600 -63.0621 -20.9168 377.587 110.972 -205.659 -314.766 378.008 -309.062 56.5902 PRESSAVG: 4148600 -10.7793 34.1267 -18.7682 34.1267 39.9132 -15.1234 -18.7681 -15.1234 20.4624 GPRESSAVG: 4148600 -8.55201 34.1472 -17.989 33.0582 37.556 -15.5956 -18.5704 -14.7557 20.5394 TIMING: 4148600 CPU: 13182.9, 0.00318685/step Wall: 13182.9, 0.00318685/step, 0.75369 hours remaining, 237.843750 MB of memory in use. ENERGY: 4148600 3966.8386 20529.7349 14426.2068 268.7342 -203443.9000 2531.8758 0.0000 0.0000 51988.6046 -109731.9051 298.7792 -161720.5097 -109375.3325 299.3912 -104.2245 -70.7102 759952.2650 16.5321 16.5145 PRESSURE: 4148800 192.998 -130.436 96.7801 -130.437 309.836 -22.1108 96.78 -22.1104 25.6966 GPRESSURE: 4148800 160.366 -86.8745 128.951 -73.2052 390.933 -53.056 91.2455 -104.245 69.2361 PRESSAVG: 4148800 1.81204 -9.27715 46.5318 -9.27715 1.36461 2.24315 46.5319 2.24325 6.0188 GPRESSAVG: 4148800 0.925952 -9.39189 46.0398 -8.21911 2.2161 3.0438 44.9707 3.48668 6.4668 TIMING: 4148800 CPU: 13183.5, 0.00317091/step Wall: 13183.5, 0.00317091/step, 0.749745 hours remaining, 237.843750 MB of memory in use. ENERGY: 4148800 3964.5421 20653.8211 14378.3751 250.6462 -203658.2859 2740.1581 0.0000 0.0000 52024.4777 -109646.2656 298.9854 -161670.7433 -109299.5992 298.9920 176.1770 206.8448 761909.2859 3.0652 3.2029 PRESSURE: 4149000 -12.5919 81.0513 20.1998 81.0515 87.3141 39.1095 20.2008 39.1087 285.256 GPRESSURE: 4149000 62.78 146.651 20.0538 37.6427 22.4235 81.0366 92.3763 30.293 369.754 PRESSAVG: 4149000 -45.6809 -43.7784 -16.222 -43.7785 18.3057 33.2456 -16.2221 33.2457 15.0723 GPRESSAVG: 4149000 -45.1476 -43.8036 -15.4446 -43.7997 18.4108 31.7512 -15.7858 32.8591 14.4447 TIMING: 4149000 CPU: 13184.1, 0.00316288/step Wall: 13184.1, 0.00316288/step, 0.747669 hours remaining, 237.843750 MB of memory in use. ENERGY: 4149000 3985.6190 20502.9267 14442.5595 238.1113 -203407.6091 2487.5165 0.0000 0.0000 51924.1094 -109826.7668 298.4086 -161750.8762 -109458.1176 298.8381 119.9926 151.6523 761057.6590 -4.1010 -4.0974 PRESSURE: 4149200 -40.8736 58.4416 39.1964 58.4424 -365.136 -43.3507 39.1964 -43.3509 -92.1855 GPRESSURE: 4149200 27.1693 40.8237 -5.65766 46.6064 -325.128 36.0215 -37.9371 -101.874 -124.511 PRESSAVG: 4149200 31.347 -18.0151 32.5317 -18.015 -36.7911 30.3683 32.5316 30.3683 11.901 GPRESSAVG: 4149200 31.2022 -17.0319 31.7374 -17.8892 -37.4116 32.4725 33.3311 29.373 12.2326 TIMING: 4149200 CPU: 13184.8, 0.00320928/step Wall: 13184.8, 0.00320928/step, 0.758461 hours remaining, 237.843750 MB of memory in use. ENERGY: 4149200 3855.0028 20449.5503 14381.4718 244.2674 -202945.2110 2343.6406 0.0000 0.0000 51743.3052 -109927.9729 297.3695 -161671.2782 -109557.4179 298.7938 -166.0650 -140.8231 760590.4704 2.1523 2.0077 PRESSURE: 4149400 -55.2692 -18.8776 -90.1189 -18.878 214.527 -45.7719 -90.1186 -45.7717 -330.39 GPRESSURE: 4149400 36.0575 64.512 5.93226 152.448 252.485 52.9402 51.2633 -4.77147 -365.421 PRESSAVG: 4149400 -8.1367 -4.46553 -20.0552 -4.46556 32.8486 11.2195 -20.0552 11.2195 8.74124 GPRESSAVG: 4149400 -8.20803 -5.52807 -19.7563 -4.38222 33.2027 10.1986 -19.5203 11.3282 8.49761 TIMING: 4149400 CPU: 13185.4, 0.00317181/step Wall: 13185.4, 0.00317181/step, 0.749428 hours remaining, 237.843750 MB of memory in use. ENERGY: 4149400 3935.5492 20451.8347 14395.4304 244.8674 -203415.0493 2412.6611 0.0000 0.0000 52075.2177 -109899.4887 299.2770 -161974.7065 -109537.6844 298.1573 -57.0439 -25.6262 760679.7392 11.1510 11.1641 PRESSURE: 4149600 -159.774 -7.4297 138.852 -7.43021 -108.885 205.043 138.852 205.043 88.3768 GPRESSURE: 4149600 -150.113 -7.2379 119.927 1.39178 -64.7895 258.885 201.653 161.928 109.067 PRESSAVG: 4149600 -35.8638 4.94666 82.4158 4.94663 40.2469 48.244 82.4157 48.244 -23.5512 GPRESSAVG: 4149600 -35.3558 6.60811 80.9856 3.88923 39.0358 49.0535 83.7775 47.7981 -23.0333 TIMING: 4149600 CPU: 13186.1, 0.00316786/step Wall: 13186.1, 0.00316786/step, 0.748318 hours remaining, 237.843750 MB of memory in use. ENERGY: 4149600 3922.1371 20493.2899 14401.8332 232.2551 -203042.3168 2401.8153 0.0000 0.0000 51821.4722 -109769.5139 297.8187 -161590.9861 -109398.2914 298.4394 -60.0938 -35.2783 760430.9743 -6.3894 -6.4511 PRESSURE: 4149800 -46.5616 -210.052 -20.8991 -210.051 -37.2579 -171.512 -20.8978 -171.512 196.635 GPRESSURE: 4149800 101.696 -225.195 -92.9372 -100.044 -16.8984 -101.564 -162.247 -71.4521 107.12 PRESSAVG: 4149800 -44.7666 -26.3273 -0.0346578 -26.3274 34.3428 16.5034 -0.0345643 16.5034 11.967 GPRESSAVG: 4149800 -44.503 -27.374 1.32373 -24.3814 34.525 15.9342 -3.54686 18.1502 11.1946 TIMING: 4149800 CPU: 13186.7, 0.00318335/step Wall: 13186.7, 0.00318335/step, 0.751802 hours remaining, 237.843750 MB of memory in use. ENERGY: 4149800 3910.9311 20500.6379 14405.9679 239.3886 -203446.9638 2613.5657 0.0000 0.0000 52239.7913 -109536.6814 300.2228 -161776.4727 -109167.1460 298.6309 37.6050 63.9725 759557.4904 0.5144 0.4055 PRESSURE: 4150000 -88.9014 -63.7204 -3.96183 -63.7194 -285.592 -146.564 -3.96254 -146.565 184.566 GPRESSURE: 4150000 -40.1784 9.25825 74.6548 -30.8507 -233.589 -172.816 -19.1923 -229.173 174.597 PRESSAVG: 4150000 1.98734 -5.52212 -3.19842 -5.52219 19.5187 -21.7311 -3.19845 -21.7311 -5.98591 GPRESSAVG: 4150000 0.924097 -4.00256 -2.66281 -6.40403 20.1439 -21.9229 0.525859 -22.8061 -5.58061 TIMING: 4150000 CPU: 13187.3, 0.00317834/step Wall: 13187.3, 0.00317834/step, 0.750441 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4150000 4011.7561 20542.0845 14403.5872 236.9906 -203240.3166 2301.8612 0.0000 0.0000 52241.9593 -109502.0777 300.2353 -161744.0369 -109144.4717 299.2288 -63.3091 -33.0566 760360.3679 5.1734 5.1625 PRESSURE: 4150200 177.066 -148.364 226.145 -148.365 392.867 -336.06 226.144 -336.059 125.448 GPRESSURE: 4150200 155.166 -80.4009 174.21 -116.236 350.032 -297.044 115.654 -388.389 257.043 PRESSAVG: 4150200 -44.2606 -15.2411 46.1182 -15.2411 45.0945 -51.3493 46.1182 -51.3493 15.4745 GPRESSAVG: 4150200 -43.7475 -13.5718 44.5456 -16.1716 43.876 -49.6095 43.1476 -52.9651 15.6488 TIMING: 4150200 CPU: 13188, 0.00319508/step Wall: 13188, 0.00319508/step, 0.754217 hours remaining, 237.843750 MB of memory in use. ENERGY: 4150200 3931.2658 20516.4485 14440.8492 247.8973 -203639.0952 2893.8957 0.0000 0.0000 52121.1864 -109487.5523 299.5412 -161608.7386 -109128.3406 299.5132 231.7938 254.0807 760694.4402 5.4361 5.2591 PRESSURE: 4150400 -491.587 131.65 44.2566 131.649 -75.4344 48.3078 44.2568 48.3096 -410.944 GPRESSURE: 4150400 -334.376 98.1819 -13.5732 122.884 -123.08 -31.1808 64.8295 121.108 -429.268 PRESSAVG: 4150400 -36.6402 -38.6056 -55.6555 -38.6056 97.225 -35.4659 -55.6556 -35.466 15.8958 GPRESSAVG: 4150400 -36.7523 -39.6955 -56.4247 -39.2547 96.7396 -35.4717 -53.8125 -32.6649 15.88 TIMING: 4150400 CPU: 13188.6, 0.00320165/step Wall: 13188.6, 0.00320165/step, 0.755589 hours remaining, 237.843750 MB of memory in use. ENERGY: 4150400 4115.0897 20563.4664 14403.9668 239.1581 -202709.0917 2017.5125 0.0000 0.0000 51902.9626 -109466.9355 298.2870 -161369.8982 -109112.8158 299.7743 -325.9887 -295.5747 761381.6250 25.4936 25.2891 PRESSURE: 4150600 5.22753 19.0279 -64.3135 19.0272 -374.911 80.2752 -64.3137 80.2744 -96.6327 GPRESSURE: 4150600 -22.6347 -53.5744 -149.466 32.1796 -359.803 153.358 -42.8022 -28.1187 -10.2719 PRESSAVG: 4150600 -59.6005 -5.2962 -40.1512 -5.29618 60.1785 23.7369 -40.1512 23.7369 19.9143 GPRESSAVG: 4150600 -59.865 -5.13154 -37.6966 -6.29042 61.2057 23.4297 -42.5879 22.0314 19.4379 TIMING: 4150600 CPU: 13189.2, 0.00317107/step Wall: 13189.2, 0.00317107/step, 0.748196 hours remaining, 237.843750 MB of memory in use. ENERGY: 4150600 3959.6508 20582.0933 14367.2139 256.4140 -203019.5961 2394.6268 0.0000 0.0000 52125.9039 -109333.6934 299.5683 -161459.5973 -108972.8435 299.5620 -155.4388 -130.9031 762258.5461 6.8308 6.9262 PRESSURE: 4150800 18.5284 -95.899 -22.1788 -95.8998 364.797 212.149 -22.1794 212.149 -317.087 GPRESSURE: 4150800 141.972 -138.223 -55.0992 -82.0726 295.135 203.954 60.0316 123.763 -305.208 PRESSAVG: 4150800 36.5188 -38.497 -15.7914 -38.497 -24.3277 -40.6032 -15.7914 -40.6032 -0.333741 GPRESSAVG: 4150800 36.3484 -40.7118 -16.6041 -35.438 -23.9255 -42.2471 -13.4746 -39.3195 -0.905263 TIMING: 4150800 CPU: 13189.9, 0.00318826/step Wall: 13189.9, 0.00318826/step, 0.752076 hours remaining, 237.843750 MB of memory in use. ENERGY: 4150800 4083.5385 20668.8061 14360.5645 266.6772 -203620.4480 2804.8606 0.0000 0.0000 52098.9919 -109337.0090 299.4136 -161436.0010 -108978.9953 299.2896 22.0795 43.9663 760795.2717 3.9524 3.8392 PRESSURE: 4151000 -185.286 74.9868 271.776 74.9865 79.6548 53.6689 271.777 53.6683 -57.1488 GPRESSURE: 4151000 -63.6456 8.21733 279.608 89.3825 44.5849 -17.9185 219.67 117.13 -56.838 PRESSAVG: 4151000 47.1213 -16.9408 -39.3133 -16.9407 25.6688 13.2537 -39.3133 13.2537 -43.3771 GPRESSAVG: 4151000 47.8279 -16.38 -39.9862 -18.094 24.046 15.0302 -40.3891 12.6776 -42.6855 TIMING: 4151000 CPU: 13190.5, 0.00323299/step Wall: 13190.5, 0.00323299/step, 0.762447 hours remaining, 237.843750 MB of memory in use. ENERGY: 4151000 4050.0968 20598.7510 14408.1100 245.8936 -203621.1761 2716.7164 0.0000 0.0000 51953.6206 -109647.9877 298.5782 -161601.6083 -109294.3410 299.2043 -54.2598 -25.2996 761255.2222 9.8043 9.7295 PRESSURE: 4151200 -172.473 102.339 211.791 102.338 -182.093 -32.6748 211.79 -32.6746 13.0037 GPRESSURE: 4151200 -201.761 84.8411 248.977 138.148 -111.775 -27.0927 250.714 -167.383 58.2954 PRESSAVG: 4151200 -66.2331 19.5481 -56.0442 19.5481 59.5858 -7.06196 -56.0443 -7.06209 10.3844 GPRESSAVG: 4151200 -68.2344 18.5165 -55.8307 18.979 61.2609 -7.2129 -57.0549 -7.15502 10.4123 TIMING: 4151200 CPU: 13191.2, 0.00318275/step Wall: 13191.2, 0.00318275/step, 0.750421 hours remaining, 237.843750 MB of memory in use. ENERGY: 4151200 4006.1702 20645.0175 14338.4469 242.0807 -203398.3214 2609.0824 0.0000 0.0000 51844.9976 -109712.5260 297.9539 -161557.5237 -109354.4755 299.0942 -113.8539 -85.0799 762010.6278 1.2457 1.1463 PRESSURE: 4151400 -199.674 -66.9062 -147.448 -66.9086 304.109 -326.8 -147.448 -326.802 91.9419 GPRESSURE: 4151400 -113.775 32.4838 -127.776 -104.956 268.412 -303.057 -46.8071 -206.816 109.673 PRESSAVG: 4151400 -15.931 -48.7705 1.4408 -48.7705 25.5962 -4.18239 1.44078 -4.18253 7.74612 GPRESSAVG: 4151400 -15.227 -45.8779 2.37034 -48.2125 24.6862 -5.59123 2.90566 -6.12297 8.04029 TIMING: 4151400 CPU: 13191.8, 0.00318938/step Wall: 13191.8, 0.00318938/step, 0.751808 hours remaining, 237.843750 MB of memory in use. ENERGY: 4151400 3966.4360 20410.4236 14399.8454 235.7468 -203586.4828 2618.9614 0.0000 0.0000 52095.6477 -109859.4219 299.3944 -161955.0695 -109491.8970 298.7253 65.4591 88.1034 762152.6660 5.8038 5.8332 PRESSURE: 4151600 96.0645 -29.9133 22.6268 -29.9136 -99.7441 -75.3832 22.6275 -75.3844 -385.424 GPRESSURE: 4151600 96.3842 85.6345 -15.3676 5.74955 -25.6936 -97.3049 -131.293 38.0701 -369.688 PRESSAVG: 4151600 -22.7626 8.84785 58.6722 8.84781 7.44331 -25.8725 58.6722 -25.8725 4.04706 GPRESSAVG: 4151600 -22.812 7.74183 56.886 8.17531 7.90576 -24.9448 57.0349 -23.3358 4.36296 TIMING: 4151600 CPU: 13192.4, 0.00321958/step Wall: 13192.4, 0.00321958/step, 0.758748 hours remaining, 237.843750 MB of memory in use. ENERGY: 4151600 3944.3558 20530.8832 14390.1157 241.6903 -203458.9706 2509.9510 0.0000 0.0000 51938.2265 -109903.7482 298.4897 -161841.9748 -109536.4569 298.7101 -129.7012 -99.6658 762848.2026 -3.7574 -3.5144 PRESSURE: 4151800 -159.579 -152.421 -49.6056 -152.42 -269.271 -113.255 -49.6065 -113.255 -225.079 GPRESSURE: 4151800 -142.099 -82.0782 13.3918 -193.137 -235.662 -189.203 17.6189 29.0376 -173.186 PRESSAVG: 4151800 49.6287 -14.6068 40.3008 -14.6068 32.0051 34.0368 40.3008 34.0367 2.01143 GPRESSAVG: 4151800 48.2515 -12.4019 42.344 -15.7228 33.7123 33.6647 40.9797 33.7445 1.3148 TIMING: 4151800 CPU: 13193.1, 0.00321762/step Wall: 13193.1, 0.00321762/step, 0.758107 hours remaining, 237.843750 MB of memory in use. ENERGY: 4151800 3919.0587 20513.6667 14412.7927 237.2114 -203176.8194 2474.2143 0.0000 0.0000 51795.7114 -109824.1642 297.6707 -161619.8756 -109466.0804 298.5733 -217.9764 -183.6491 763238.6951 27.8818 27.7595 PRESSURE: 4152000 -5.69571 17.4784 -210.202 17.4781 -214.426 41.8714 -210.202 41.8702 18.1025 GPRESSURE: 4152000 5.47128 2.41988 -228.132 -22.0534 -150.75 144.775 -237.95 -138.784 31.2577 PRESSAVG: 4152000 12.7724 -15.2773 -55.6493 -15.2773 1.05651 15.5495 -55.6493 15.5495 -12.9055 GPRESSAVG: 4152000 14.0238 -17.2589 -56.9652 -12.1441 -0.142771 16.2005 -54.5374 15.2113 -12.671 TIMING: 4152000 CPU: 13193.7, 0.00314618/step Wall: 13193.7, 0.00314618/step, 0.741101 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4152000 4003.7952 20533.8502 14289.1535 242.9183 -203763.8967 2627.3261 0.0000 0.0000 52247.3387 -109819.5147 300.2662 -162066.8533 -109447.0953 298.5473 -67.3399 -38.0069 762569.1887 0.3078 0.4034 PRESSURE: 4152200 553.88 -12.587 -57.501 -12.5869 418.094 -3.73038 -57.5005 -3.73062 210.973 GPRESSURE: 4152200 620.265 -1.76116 -108.091 -98.353 485.754 27.8125 82.9751 61.465 154.383 PRESSAVG: 4152200 -36.6134 8.17651 -18.1089 8.1765 6.13332 -14.792 -18.1089 -14.792 -17.8606 GPRESSAVG: 4152200 -35.7303 7.49303 -17.7802 7.34411 5.70679 -14.8082 -18.3513 -15.6557 -18.732 TIMING: 4152200 CPU: 13194.4, 0.00317178/step Wall: 13194.4, 0.00317178/step, 0.746955 hours remaining, 237.843750 MB of memory in use. ENERGY: 4152200 3987.6866 20692.6886 14348.0590 221.6090 -204164.6672 3172.7153 0.0000 0.0000 51858.3204 -109883.5883 298.0305 -161741.9087 -109526.3235 298.9483 394.3157 420.1342 760160.9756 -16.1136 -16.2518 LDB: ============= START OF LOAD BALANCING ============== 13206.8 LDB: ============== END OF LOAD BALANCING =============== 13206.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13206.8 LDB: ============= START OF LOAD BALANCING ============== 13207.1 LDB: Largest compute 7068 load 0.034195 is 17.4% of average load 0.196019 LDB: Average compute 0.004416 is 2.3% of average load 0.196019 LDB: TIME 13207.1 LOAD: AVG 0.196019 MAX 0.218932 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13207.1 LOAD: AVG 0.196019 MAX 0.218932 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 13207.1 LOAD: AVG 0.196019 MAX 0.218505 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 13207.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13207.1 PRESSURE: 4152400 417.413 -87.2154 -139.811 -87.2154 -123.681 -15.8502 -139.811 -15.8503 -221.696 GPRESSURE: 4152400 411.574 -87.9393 -147.729 -116.67 -56.7407 -68.1471 -70.042 47.5085 -198.479 PRESSAVG: 4152400 -26.9403 -51.9806 12.0774 -51.9806 13.0731 9.01311 12.0775 9.01317 -5.27609 GPRESSAVG: 4152400 -27.603 -50 12.145 -54.3608 13.5725 10.6043 11.8882 9.58952 -5.34186 TIMING: 4152400 CPU: 13195, 0.00323251/step Wall: 13195, 0.00323251/step, 0.761077 hours remaining, 237.843750 MB of memory in use. ENERGY: 4152400 3942.0612 20584.5547 14329.1888 250.4007 -203923.1390 3015.3531 0.0000 0.0000 52077.2375 -109724.3430 299.2886 -161801.5805 -109363.2748 298.4677 24.0123 52.1182 763084.0834 -6.3811 -6.4574 PRESSURE: 4152600 141.805 -85.5731 -6.05064 -85.5733 171.606 -134.798 -6.05074 -134.799 68.4201 GPRESSURE: 4152600 179.301 -65.74 32.0859 -68.5582 258.827 -96.4708 -50.9683 -276.156 37.8279 PRESSAVG: 4152600 46.214 -76.0929 -3.11592 -76.093 -2.50596 23.5061 -3.11603 23.506 -3.5308 GPRESSAVG: 4152600 45.6747 -76.1447 -4.93921 -74.9548 -2.75354 22.3558 -3.47344 21.8104 -2.80603 TIMING: 4152600 CPU: 13195.6, 0.00318504/step Wall: 13195.6, 0.00318504/step, 0.749724 hours remaining, 237.843750 MB of memory in use. ENERGY: 4152600 3923.8780 20474.7720 14355.8655 250.5874 -202987.7259 2428.9278 0.0000 0.0000 51921.3346 -109632.3607 298.3926 -161553.6953 -109271.3205 298.9323 127.2769 158.6521 762082.4706 13.3924 13.3717 PRESSURE: 4152800 -135.184 -131.092 -28.8617 -131.092 -224.987 63.9396 -28.8617 63.9394 -20.9544 GPRESSURE: 4152800 -137.716 -83.3145 -60.2009 -85.1357 -108.794 28.0331 -5.44615 -20.3899 -37.5883 PRESSAVG: 4152800 -16.8488 2.84749 -46.3878 2.84739 6.50219 -51.9565 -46.3878 -51.9565 -4.31621 GPRESSAVG: 4152800 -15.3006 4.07086 -45.6751 0.321651 5.14051 -52.3933 -46.7955 -49.2942 -4.31741 TIMING: 4152800 CPU: 13196.3, 0.00319186/step Wall: 13196.3, 0.00319186/step, 0.75115 hours remaining, 237.843750 MB of memory in use. ENERGY: 4152800 4079.7806 20626.4030 14318.1313 250.5314 -203499.3684 2524.6786 0.0000 0.0000 52247.7227 -109452.1208 300.2684 -161699.8436 -109092.7001 299.0688 -127.0417 -94.6994 761957.3240 -4.8876 -4.8258 PRESSURE: 4153000 -36.9306 -178.466 -25.4388 -178.466 -235.643 82.1986 -25.4383 82.1993 -164.366 GPRESSURE: 4153000 -33.9267 -181.365 -32.9792 -185.989 -158.291 32.1002 57.4528 20.5199 -142.508 PRESSAVG: 4153000 75.2938 -23.7118 -37.8668 -23.7118 -8.97724 5.05361 -37.8668 5.05358 11.2742 GPRESSAVG: 4153000 75.2285 -26.0075 -38.5148 -20.6007 -8.38435 5.8854 -34.5175 3.69243 10.7904 TIMING: 4153000 CPU: 13196.9, 0.00321227/step Wall: 13196.9, 0.00321227/step, 0.755775 hours remaining, 237.843750 MB of memory in use. ENERGY: 4153000 4080.7921 20561.0378 14356.6996 259.4332 -203367.9070 2537.0767 0.0000 0.0000 52156.1008 -109416.7667 299.7418 -161572.8675 -109057.4174 299.4662 -145.6465 -111.5753 760429.8064 25.8636 25.8782 PRESSURE: 4153200 -115.209 37.8204 13.087 37.8213 141.938 102.427 13.0868 102.426 299.882 GPRESSURE: 4153200 -108.968 63.3446 82.4311 44.4221 252.663 84.3296 -92.0964 71.0376 268.318 PRESSAVG: 4153200 -3.20654 -45.4353 20.0635 -45.4353 26.4406 -16.0786 20.0634 -16.0786 39.8761 GPRESSAVG: 4153200 -4.29111 -44.1327 22.4057 -46.9461 27.1672 -15.5449 15.4473 -17.6704 40.2809 TIMING: 4153200 CPU: 13197.6, 0.00322008/step Wall: 13197.6, 0.00322008/step, 0.757435 hours remaining, 237.843750 MB of memory in use. ENERGY: 4153200 3970.6010 20604.8669 14445.4004 249.6033 -203873.1958 2990.3220 0.0000 0.0000 52134.2457 -109478.1566 299.6162 -161612.4023 -109113.7187 299.3336 108.8704 137.3378 760755.3714 21.0367 21.0523 PRESSURE: 4153400 -308.338 93.4218 77.6109 93.4206 -66.8088 -100.937 77.6105 -100.937 -409.89 GPRESSURE: 4153400 -199.191 95.662 10.4822 189.412 -109.081 -47.1859 55.2033 2.53875 -368.297 PRESSAVG: 4153400 -12.7915 -8.97958 -28.6442 -8.97958 19.7683 36.255 -28.6442 36.2549 22.9576 GPRESSAVG: 4153400 -11.7661 -10.1845 -31.4732 -6.63687 18.0866 32.5276 -26.3553 39.3804 23.6842 TIMING: 4153400 CPU: 13198.2, 0.00330897/step Wall: 13198.2, 0.00330897/step, 0.77816 hours remaining, 237.843750 MB of memory in use. ENERGY: 4153400 4026.3742 20427.7754 14431.0781 252.6574 -202944.9921 2328.4581 0.0000 0.0000 52045.7099 -109432.9389 299.1074 -161478.6488 -109065.0822 299.5863 -261.6791 -225.5231 762843.5837 9.9781 10.0016 PRESSURE: 4153600 107.642 79.6489 23.4204 79.6491 -180.856 31.1106 23.4199 31.1107 347.91 GPRESSURE: 4153600 90.8112 78.7371 -14.4563 12.821 -123.822 33.1853 51.646 99.6958 387.281 PRESSAVG: 4153600 28.2375 -31.0166 21.6413 -31.0166 9.25498 -5.4176 21.6412 -5.41752 -20.6681 GPRESSAVG: 4153600 27.1885 -30.0938 22.7154 -32.7813 10.8949 -3.19882 18.6246 -6.0093 -21.3881 TIMING: 4153600 CPU: 13198.9, 0.00329205/step Wall: 13198.9, 0.00329205/step, 0.773997 hours remaining, 237.843750 MB of memory in use. ENERGY: 4153600 3923.3008 20551.9206 14407.0875 244.3305 -203222.9284 2676.1033 0.0000 0.0000 52150.5462 -109269.6396 299.7099 -161420.1857 -108903.3621 298.9214 91.5652 118.0903 763065.4146 5.6081 5.5651 PRESSURE: 4153800 -465.099 -29.1524 -33.3855 -29.1531 -159.564 222.726 -33.3862 222.726 162.18 GPRESSURE: 4153800 -323.559 -82.7847 -60.3515 -11.0055 -76.0793 241.076 79.479 313.507 26.6915 PRESSAVG: 4153800 -25.4367 1.76837 81.628 1.76832 6.37331 24.0014 81.628 24.0014 20.4096 GPRESSAVG: 4153800 -25.1406 1.02442 81.8751 1.14271 7.50465 26.7986 84.4091 22.1136 19.5231 TIMING: 4153800 CPU: 13199.5, 0.00318718/step Wall: 13199.5, 0.00318718/step, 0.749164 hours remaining, 237.843750 MB of memory in use. ENERGY: 4153800 3999.1451 20604.3242 14355.9066 233.1990 -203165.7928 2602.2264 0.0000 0.0000 52197.1855 -109173.8061 299.9779 -161370.9915 -108817.4590 299.0140 -154.1606 -124.3156 761707.4524 0.4487 0.6291 PRESSURE: 4154000 -285.37 24.8359 261.232 24.8361 -344.183 -126.825 261.232 -126.825 -354.244 GPRESSURE: 4154000 -252.849 -11.3249 233.675 174.514 -354.874 -232.212 91.9849 -126.962 -294.438 PRESSAVG: 4154000 57.2434 -38.4398 24.5761 -38.4398 -43.6554 -4.49562 24.576 -4.49559 0.313903 GPRESSAVG: 4154000 58.2742 -39.1556 25.384 -37.0002 -46.4219 -7.61904 24.9612 -1.48882 1.88689 TIMING: 4154000 CPU: 13200.2, 0.00320508/step Wall: 13200.2, 0.00320508/step, 0.753194 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4154000 4011.7034 20313.8394 14355.5791 232.9970 -202726.5392 2100.8398 0.0000 0.0000 52338.3596 -109373.2210 300.7893 -161711.5806 -109010.1710 299.3869 -327.9322 -300.7205 762823.2587 4.6340 4.5797 PRESSURE: 4154200 -119.45 -89.3408 -42.9077 -89.3408 177.478 -42.3162 -42.9086 -42.3163 211.403 GPRESSURE: 4154200 -80.3086 -65.3224 15.8574 -40.1186 195.504 -76.5876 -97.9692 -33.9159 237.405 PRESSAVG: 4154200 17.8708 15.602 28.0793 15.602 -6.78361 25.5543 28.0793 25.5543 16.0172 GPRESSAVG: 4154200 16.2899 18.3332 27.111 13.9218 -4.74105 25.0623 26.6393 24.2411 15.7465 TIMING: 4154200 CPU: 13200.8, 0.00331445/step Wall: 13200.8, 0.00331445/step, 0.778712 hours remaining, 237.843750 MB of memory in use. ENERGY: 4154200 3940.2873 20540.9600 14317.4962 234.7958 -203519.1673 2771.3945 0.0000 0.0000 52313.8244 -109400.4091 300.6483 -161714.2335 -109037.4061 299.2267 89.8105 117.5332 762718.5891 9.0348 9.0985 PRESSURE: 4154400 9.81507 -90.8835 366.619 -90.8832 55.8453 -35.6675 366.62 -35.6674 -133.704 GPRESSURE: 4154400 -28.8486 -79.1818 340.327 -21.4818 154.714 -55.9522 276.016 120.263 -90.6845 PRESSAVG: 4154400 35.3909 -27.0225 -2.40051 -27.0225 -70.2818 20.4662 -2.40048 20.4662 -0.330314 GPRESSAVG: 4154400 36.9449 -28.761 -2.58662 -24.5739 -71.3875 21.8933 -1.46008 19.1393 -0.716053 TIMING: 4154400 CPU: 13201.5, 0.00334361/step Wall: 13201.5, 0.00334361/step, 0.785378 hours remaining, 237.843750 MB of memory in use. ENERGY: 4154400 3907.8817 20476.2576 14399.1192 227.2774 -203238.4274 2670.0229 0.0000 0.0000 51782.9346 -109774.9340 297.5972 -161557.8687 -109415.4223 298.9327 -22.6811 11.7269 764168.9124 -11.7404 -11.7196 PRESSURE: 4154600 111.683 46.5867 -59.5573 46.587 109.729 -112.297 -59.5574 -112.296 301.125 GPRESSURE: 4154600 175.007 31.1787 -46.4166 1.9849 116.555 -60.8781 -5.05952 5.24192 326.778 PRESSAVG: 4154600 -8.20564 6.6876 -4.13373 6.68761 34.2099 -8.84579 -4.1338 -8.84578 -6.90171 GPRESSAVG: 4154600 -9.23716 5.21311 -4.52887 6.86857 35.2419 -9.3615 -4.53974 -7.1188 -6.15353 TIMING: 4154600 CPU: 13202.1, 0.00320964/step Wall: 13202.1, 0.00320964/step, 0.753731 hours remaining, 237.843750 MB of memory in use. ENERGY: 4154600 4003.8060 20269.3323 14315.4172 249.7782 -203550.6465 2956.4948 0.0000 0.0000 51905.2054 -109850.6126 298.2999 -161755.8181 -109492.0037 298.2666 174.1791 206.1133 762374.6089 6.3675 6.6171 PRESSURE: 4154800 85.451 47.8191 -29.4851 47.8187 245.169 13.852 -29.4849 13.853 -170.032 GPRESSURE: 4154800 138.164 109.735 -42.0978 77.6416 321.684 19.6955 89.925 -87.8632 -214.382 PRESSAVG: 4154800 23.3906 -39.3332 -52.6604 -39.3332 -0.4919 29.422 -52.6604 29.4219 2.01692 GPRESSAVG: 4154800 22.8698 -37.8967 -51.4832 -39.5928 -0.915466 30.1764 -50.7338 27.1344 2.46505 TIMING: 4154800 CPU: 13202.8, 0.00320721/step Wall: 13202.8, 0.00320721/step, 0.752982 hours remaining, 237.843750 MB of memory in use. ENERGY: 4154800 3968.8552 20481.9834 14267.5625 261.0200 -203553.7935 2825.3119 0.0000 0.0000 51845.0614 -109903.9990 297.9543 -161749.0604 -109544.0778 298.3485 53.5294 81.8221 762737.3587 8.3052 8.1398 PRESSURE: 4155000 435.929 195.554 -292.077 195.553 235.861 -76.8463 -292.078 -76.8462 -151.738 GPRESSURE: 4155000 421.007 129.655 -222.759 172.707 351.249 0.402834 -366.814 -67.7666 -182.923 PRESSAVG: 4155000 1.75971 -51.5998 -41.8434 -51.5998 -0.102847 0.240944 -41.8434 0.240945 17.3174 GPRESSAVG: 4155000 2.91463 -51.6927 -41.7157 -53.5507 -0.27008 0.0852304 -43.7862 1.12416 16.6045 TIMING: 4155000 CPU: 13203.4, 0.00319423/step Wall: 13203.4, 0.00319423/step, 0.749756 hours remaining, 237.843750 MB of memory in use. ENERGY: 4155000 3986.6553 20674.8486 14361.2937 260.4274 -203537.2285 2714.8835 0.0000 0.0000 52031.1714 -109507.9487 299.0239 -161539.1201 -109147.6372 298.8399 173.3505 196.4446 761282.0458 6.3248 6.4163 PRESSURE: 4155200 -308.429 -121.59 122.204 -121.59 60.3546 42.8582 122.204 42.858 148.958 GPRESSURE: 4155200 -261.307 -99.4871 137.789 -197.001 96.9909 -26.1692 149.33 26.2488 151.029 PRESSAVG: 4155200 -4.42808 -23.9664 -18.2921 -23.9664 51.3653 19.9867 -18.2922 19.9868 1.58784 GPRESSAVG: 4155200 -4.46755 -25.0141 -21.2586 -21.885 50.9332 18.6606 -17.1012 22.5722 2.12746 TIMING: 4155200 CPU: 13204.1, 0.00320237/step Wall: 13204.1, 0.00320237/step, 0.75149 hours remaining, 237.843750 MB of memory in use. ENERGY: 4155200 4036.5706 20628.5661 14356.2311 236.3623 -203219.5857 2457.3245 0.0000 0.0000 51960.7315 -109543.7996 298.6190 -161504.5311 -109186.8275 299.3076 -33.0385 -4.4288 760011.9898 16.1750 16.1977 PRESSURE: 4155400 -61.8247 45.7055 -332.07 45.7051 157.392 -105.377 -332.07 -105.377 98.5859 GPRESSURE: 4155400 -6.29739 31.6635 -369.988 -86.7746 139.239 -51.9646 -270.023 -57.2723 140.516 PRESSAVG: 4155400 -23.4082 -4.36875 -14.2606 -4.36879 47.3565 45.6712 -14.2606 45.6712 -0.663166 GPRESSAVG: 4155400 -23.9251 -2.84299 -11.6622 -6.44975 46.9439 46.2045 -14.47 42.9852 0.163194 TIMING: 4155400 CPU: 13204.7, 0.00317048/step Wall: 13204.7, 0.00317048/step, 0.743829 hours remaining, 237.843750 MB of memory in use. ENERGY: 4155400 3932.8794 20520.6948 14422.2103 257.9422 -203510.0503 2786.1755 0.0000 0.0000 52139.6946 -109450.4534 299.6475 -161590.1480 -109082.1026 299.1548 64.7177 91.1523 760363.6931 7.7617 7.7273 PRESSURE: 4155600 218.02 -64.8298 -137.259 -64.8304 42.2762 84.1636 -137.258 84.1639 64.5931 GPRESSURE: 4155600 261.128 -102.884 -183.804 -104.335 54.2522 125.193 -32.797 49.6853 102.608 PRESSAVG: 4155600 -55.4999 -79.5796 -33.3696 -79.5795 30.8867 22.0654 -33.3696 22.0654 21.0618 GPRESSAVG: 4155600 -55.0451 -79.8642 -33.7005 -82.4218 30.7379 23.6782 -34.2769 22.4503 20.7383 TIMING: 4155600 CPU: 13205.3, 0.00320188/step Wall: 13205.3, 0.00320188/step, 0.75102 hours remaining, 237.843750 MB of memory in use. ENERGY: 4155600 3961.0862 20387.8681 14367.4529 240.9800 -203278.2687 2847.3334 0.0000 0.0000 52135.2150 -109338.3331 299.6218 -161473.5481 -108971.6408 299.7858 108.2963 139.3294 762817.5570 -1.1838 -1.1896 PRESSURE: 4155800 76.504 60.0536 -253.462 60.053 26.1831 122.853 -253.462 122.853 55.2996 GPRESSURE: 4155800 110.368 16.006 -192.592 109.157 97.1786 103.631 -302.08 -33.6738 62.8496 PRESSAVG: 4155800 -15.1487 -72.2009 -13.3244 -72.2008 13.6028 -1.38342 -13.3244 -1.38349 -18.5573 GPRESSAVG: 4155800 -15.602 -72.0836 -13.4067 -68.3329 14.5917 -1.96778 -12.7354 -0.628458 -18.7651 TIMING: 4155800 CPU: 13206, 0.00323778/step Wall: 13206, 0.00323778/step, 0.759259 hours remaining, 237.843750 MB of memory in use. ENERGY: 4155800 4023.0473 20448.8202 14420.8149 249.4076 -203470.6636 2996.6581 0.0000 0.0000 52216.2229 -109115.6927 300.0874 -161331.9156 -108761.6798 299.9331 52.6622 90.1321 763339.7948 -6.7011 -6.5918 PRESSURE: 4156000 154.123 177.139 93.3045 177.139 123.996 132.257 93.305 132.257 -126.644 GPRESSURE: 4156000 223.948 136.608 172.306 42.1097 80.3693 80.7713 28.3417 126.271 -73.1534 PRESSAVG: 4156000 16.2786 -18.5707 -20.7007 -18.5707 -30.6151 -5.44308 -20.7007 -5.44296 -5.99906 GPRESSAVG: 4156000 17.1061 -19.1472 -20.7618 -20.3513 -30.8678 -6.22494 -22.8464 -3.87267 -5.61729 TIMING: 4156000 CPU: 13206.6, 0.00324857/step Wall: 13206.6, 0.00324857/step, 0.761609 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4156000 3981.6211 20614.8821 14363.7892 240.6998 -202928.5127 2492.4017 0.0000 0.0000 51970.7246 -109264.3942 298.6765 -161235.1188 -108908.6420 299.8050 50.4915 77.0547 764059.7104 -6.7785 -6.4597 PRESSURE: 4156200 92.5871 27.3575 150.241 27.357 271.618 -148.359 150.24 -148.359 -400.588 GPRESSURE: 4156200 23.8553 25.3577 208.674 10.8419 347.35 -83.527 172.16 -80.4753 -325.534 PRESSAVG: 4156200 -0.541248 -10.8941 -6.02176 -10.8941 -39.2658 -36.7081 -6.02173 -36.7081 -12.5181 GPRESSAVG: 4156200 -1.26094 -10.1612 -5.93506 -8.32594 -38.8035 -35.5018 -2.73128 -39.1031 -12.2567 TIMING: 4156200 CPU: 13207.3, 0.00321104/step Wall: 13207.3, 0.00321104/step, 0.752631 hours remaining, 237.843750 MB of memory in use. ENERGY: 4156200 4008.4801 20560.4327 14390.1724 253.2724 -203217.3022 2731.1152 0.0000 0.0000 52181.1808 -109092.6486 299.8860 -161273.8294 -108736.8915 299.6121 -12.1276 15.2238 764068.8964 -17.4417 -17.4404 LDB: ============= START OF LOAD BALANCING ============== 13219.7 LDB: ============== END OF LOAD BALANCING =============== 13219.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13219.7 LDB: ============= START OF LOAD BALANCING ============== 13220 LDB: Largest compute 7034 load 0.033962 is 17.3% of average load 0.196044 LDB: Average compute 0.004407 is 2.2% of average load 0.196044 LDB: TIME 13220 LOAD: AVG 0.196044 MAX 0.21639 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 13220 LOAD: AVG 0.196044 MAX 0.21639 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 13220 LOAD: AVG 0.196044 MAX 0.21639 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 13220 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13220 PRESSURE: 4156400 -290.799 54.6695 -109.367 54.6694 -15.6845 -153.777 -109.367 -153.777 45.8988 GPRESSURE: 4156400 -197.706 4.87097 21.9698 -2.97785 -23.8299 -180.948 -104.208 -88.3387 41.2515 PRESSAVG: 4156400 -104.235 6.95073 -38.2828 6.95073 87.6893 -34.0704 -38.2828 -34.0704 -10.2634 GPRESSAVG: 4156400 -104.193 6.28715 -36.428 5.56926 87.1666 -36.8205 -39.0303 -32.9488 -10.1433 TIMING: 4156400 CPU: 13207.9, 0.0032899/step Wall: 13207.9, 0.0032899/step, 0.770933 hours remaining, 238.355469 MB of memory in use. ENERGY: 4156400 4031.2827 20501.4320 14337.9360 245.0767 -203021.6253 2618.0667 0.0000 0.0000 52224.7197 -109063.1116 300.1362 -161287.8313 -108693.8161 299.6993 -86.8616 -60.0947 762652.0326 -8.9364 -9.0566 PRESSURE: 4156600 -75.5752 7.62588 -156.112 7.62621 62.9099 -256.988 -156.112 -256.989 187.115 GPRESSURE: 4156600 34.0829 16.1725 -182.864 -27.9815 74.6979 -272.754 -272.286 -140.443 156.86 PRESSAVG: 4156600 -13.2516 47.2443 -11.2341 47.2443 -23.2388 23.9391 -11.2342 23.939 14.6953 GPRESSAVG: 4156600 -12.6306 47.2943 -13.4723 48.6624 -23.1592 25.6025 -13.984 23.6891 13.691 TIMING: 4156600 CPU: 13208.6, 0.00320389/step Wall: 13208.6, 0.0032039/step, 0.750601 hours remaining, 238.355469 MB of memory in use. ENERGY: 4156600 4046.7598 20580.1668 14402.6625 238.2991 -203112.7676 2526.5508 0.0000 0.0000 52015.9854 -109302.3432 298.9366 -161318.3286 -108932.5271 300.1062 58.1498 88.5468 759709.8672 -7.2650 -7.3663 PRESSURE: 4156800 -470.895 -40.6525 -14.6495 -40.6526 11.5633 150.972 -14.6493 150.972 -33.8593 GPRESSURE: 4156800 -373.739 -161.643 19.7476 84.7342 21.4091 155.488 127.568 -15.1592 -64.1969 PRESSAVG: 4156800 -15.3651 -14.588 13.8121 -14.588 47.5778 -8.52838 13.8122 -8.52848 -1.24647 GPRESSAVG: 4156800 -15.1841 -12.4983 13.6599 -15.5033 47.4378 -8.47484 15.7368 -8.88901 -1.88954 TIMING: 4156800 CPU: 13209.2, 0.0032451/step Wall: 13209.2, 0.0032451/step, 0.760074 hours remaining, 238.355469 MB of memory in use. ENERGY: 4156800 3964.4652 20567.8367 14380.8233 260.5697 -203159.1019 2504.8072 0.0000 0.0000 52157.4962 -109323.1035 299.7498 -161480.5997 -108960.6824 299.7459 -164.3969 -138.8424 761683.7529 10.3221 10.1214 PRESSURE: 4157000 -392.466 147.202 -237.514 147.203 -191.03 -174.652 -237.513 -174.653 -5.6577 GPRESSURE: 4157000 -363.498 121.044 -225.014 100.111 -131.525 -153.414 -189.944 -19.4436 -7.27909 PRESSAVG: 4157000 -23.2022 -5.50368 8.07611 -5.50369 50.0255 32.8337 8.07604 32.8337 -15.3636 GPRESSAVG: 4157000 -23.3912 -6.36463 8.86166 -5.4727 49.2059 33.2996 10.8628 33.2966 -14.6858 TIMING: 4157000 CPU: 13209.9, 0.0032258/step Wall: 13209.9, 0.0032258/step, 0.755375 hours remaining, 238.355469 MB of memory in use. ENERGY: 4157000 4089.9420 20663.2146 14440.4948 243.7798 -203585.6660 2625.0401 0.0000 0.0000 52346.4692 -109176.7256 300.8359 -161523.1947 -108809.9204 299.6784 -196.3847 -167.4342 760252.8331 3.8199 3.7097 PRESSURE: 4157200 -89.2294 36.1857 -42.2304 36.1855 105.25 36.8464 -42.23 36.8468 70.9308 GPRESSURE: 4157200 -10.7346 18.6466 18.0769 49.1349 120.024 -104.204 -42.5093 104.278 63.2057 PRESSAVG: 4157200 -40.4928 -80.9361 4.94692 -80.9361 75.0953 -1.92162 4.94686 -1.92158 19.368 GPRESSAVG: 4157200 -41.4083 -82.7192 4.84329 -79.6726 75.654 -0.404577 3.54306 -3.43211 19.6216 TIMING: 4157200 CPU: 13210.5, 0.00320572/step Wall: 13210.5, 0.00320572/step, 0.750495 hours remaining, 238.355469 MB of memory in use. ENERGY: 4157200 4009.0926 20700.5640 14532.0098 243.1773 -203216.0893 2652.9127 0.0000 0.0000 51837.9994 -109240.3335 297.9137 -161078.3329 -108874.9033 299.9353 28.9838 57.4983 760569.7888 17.9902 17.9558 PRESSURE: 4157400 -364.808 -92.1897 73.1914 -92.1897 -283.525 203.062 73.1919 203.062 -190.469 GPRESSURE: 4157400 -368.6 -106.227 69.4006 -118.28 -269.332 168.035 145.667 277.266 -106.751 PRESSAVG: 4157400 -38.4692 -61.8702 -18.8262 -61.8702 12.9901 -12.8541 -18.8262 -12.8541 0.496942 GPRESSAVG: 4157400 -38.1378 -60.6556 -19.5698 -64.1004 13.8655 -14.1093 -19.2184 -12.8551 -0.479174 TIMING: 4157400 CPU: 13211.2, 0.00330164/step Wall: 13211.2, 0.00330164/step, 0.772767 hours remaining, 238.613281 MB of memory in use. ENERGY: 4157400 4021.3350 20494.6906 14439.8491 251.7812 -202981.6178 2444.3630 0.0000 0.0000 52055.1766 -109274.4224 299.1618 -161329.5989 -108909.7223 299.8362 -279.6006 -248.2275 761386.1501 -8.3274 -8.2505 PRESSURE: 4157600 187.173 27.9221 -167.189 27.9222 -171.028 -85.7403 -167.188 -85.7413 -48.323 GPRESSURE: 4157600 185.812 10.5909 -205.999 10.8155 -148.191 -55.1437 -72.7132 -34.1788 12.0874 PRESSAVG: 4157600 15.6286 -61.2824 49.3918 -61.2824 17.1 -2.87878 49.3918 -2.87883 -7.1224 GPRESSAVG: 4157600 14.5412 -61.7273 49.5558 -59.5712 17.1995 -2.99874 49.6462 -0.500687 -6.81366 TIMING: 4157600 CPU: 13211.8, 0.00321368/step Wall: 13211.8, 0.00321368/step, 0.752001 hours remaining, 238.613281 MB of memory in use. ENERGY: 4157600 3968.8328 20816.8770 14468.6488 253.7983 -202976.7335 2440.6370 0.0000 0.0000 51886.0350 -109141.9045 298.1898 -161027.9395 -108784.1764 299.5453 -10.7259 16.5695 761368.8462 8.5354 8.3090 PRESSURE: 4157800 -588.287 178.273 139.988 178.273 -111.248 244.385 139.987 244.385 -173.092 GPRESSURE: 4157800 -490.006 201.228 131.332 145.57 -178.939 262.537 169.756 123.796 -101.324 PRESSAVG: 4157800 -25.0323 -20.204 32.9272 -20.204 47.5296 10.7952 32.9273 10.7953 9.91481 GPRESSAVG: 4157800 -23.9957 -20.331 34.3052 -21.7551 47.4995 10.0196 32.5554 9.46316 8.8685 TIMING: 4157800 CPU: 13212.4, 0.00319251/step Wall: 13212.4, 0.00319251/step, 0.74687 hours remaining, 238.613281 MB of memory in use. ENERGY: 4157800 4032.6067 20531.9975 14456.0376 236.2933 -202885.2625 2345.3599 0.0000 0.0000 52206.9512 -109076.0163 300.0341 -161282.9675 -108717.0517 300.1642 -290.8756 -256.7567 761572.5826 10.8040 10.7908 PRESSURE: 4158000 114.438 316.005 -41.2832 316.006 -269.654 275.581 -41.2829 275.581 17.7332 GPRESSURE: 4158000 102.365 231.301 -37.3618 268.783 -261.772 354.062 -15.2537 268.58 110.056 PRESSAVG: 4158000 -38.2594 -1.18334 25.1238 -1.1833 3.16372 28.6414 25.1238 28.6414 17.2822 GPRESSAVG: 4158000 -38.1526 -3.00009 24.2589 0.738471 2.88824 28.9435 24.7813 28.9346 17.7251 TIMING: 4158000 CPU: 13213.1, 0.00319554/step Wall: 13213.1, 0.00319554/step, 0.747402 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4158000 3980.3562 20621.8244 14479.3426 253.1786 -203143.6327 2361.9670 0.0000 0.0000 52121.5117 -109325.4521 299.5430 -161446.9639 -108963.1912 299.8264 -45.8278 -16.4504 761307.4780 -5.9378 -5.8464 PRESSURE: 4158200 -135.154 -117.336 -183.798 -117.336 -119.203 -255.788 -183.798 -255.789 419.504 GPRESSURE: 4158200 -85.6476 -35.385 -122.287 -110.219 -161.888 -280.886 -210.854 -282.39 514.736 PRESSAVG: 4158200 -55.8956 17.6379 34.6798 17.638 44.0238 -7.90608 34.6798 -7.90613 2.07353 GPRESSAVG: 4158200 -55.9804 18.5518 36.7166 16.9693 43.1185 -8.61289 35.8277 -8.22169 2.91976 TIMING: 4158200 CPU: 13213.7, 0.00316651/step Wall: 13213.7, 0.00316651/step, 0.740436 hours remaining, 238.613281 MB of memory in use. ENERGY: 4158200 3987.2902 20536.5438 14361.4607 246.6235 -202901.2750 2423.0842 0.0000 0.0000 52028.5742 -109317.6984 299.0089 -161346.2726 -108967.7467 299.4642 55.0487 89.0667 763499.9191 -3.2661 -3.3141 PRESSURE: 4158400 -1.0342 46.4161 169.2 46.4166 338.824 -146.828 169.199 -146.827 -88.5022 GPRESSURE: 4158400 -28.8904 123.694 195.543 2.44368 441.999 -196.99 63.568 -55.53 -80.1528 PRESSAVG: 4158400 -16.1819 -2.73633 21.1751 -2.73635 -11.2118 42.9719 21.1751 42.9718 -0.668507 GPRESSAVG: 4158400 -17.482 -1.1589 19.7839 -2.52176 -9.48014 44.8893 21.6942 43.4451 -1.12959 TIMING: 4158400 CPU: 13214.3, 0.00315548/step Wall: 13214.3, 0.00315548/step, 0.737682 hours remaining, 238.613281 MB of memory in use. ENERGY: 4158400 4097.4190 20562.7913 14429.7308 241.2126 -203615.8033 3084.0373 0.0000 0.0000 51835.9195 -109364.6927 297.9017 -161200.6122 -109006.5684 299.4872 83.0959 110.9854 760942.3769 -9.3541 -9.3639 PRESSURE: 4158600 -225.793 73.9504 244.67 73.9489 -194.113 136.197 244.67 136.197 -75.364 GPRESSURE: 4158600 -224.316 -1.61943 227.015 120.575 -121.347 24.8804 58.8865 101.294 -50.8512 PRESSAVG: 4158600 -22.5124 -10.0635 36.8863 -10.0636 38.334 14.6811 36.8862 14.6811 5.38893 GPRESSAVG: 4158600 -21.8044 -10.9135 35.7286 -10.7846 38.2305 13.5276 34.5533 16.8351 4.73312 TIMING: 4158600 CPU: 13215, 0.00316371/step Wall: 13215, 0.00316371/step, 0.73943 hours remaining, 238.613281 MB of memory in use. ENERGY: 4158600 4021.5143 20402.6877 14435.9590 234.8962 -203366.3217 2607.9647 0.0000 0.0000 52292.5893 -109370.7106 300.5262 -161663.2998 -108996.1962 299.6460 -165.0900 -132.1715 760609.9638 7.0702 7.0531 PRESSURE: 4158800 -230.04 86.7544 26.7224 86.754 -315.623 238.943 26.7217 238.943 -355.064 GPRESSURE: 4158800 -199.182 111.691 88.374 181.544 -290.667 313.572 33.5653 225.779 -325.947 PRESSAVG: 4158800 -11.3678 9.98522 13.8412 9.98524 3.8748 69.7093 13.8411 69.7093 32.715 GPRESSAVG: 4158800 -10.8527 10.0165 15.6639 12.1598 3.4609 70.0485 12.9599 66.4857 32.5665 TIMING: 4158800 CPU: 13215.6, 0.00315335/step Wall: 13215.6, 0.00315335/step, 0.736832 hours remaining, 238.613281 MB of memory in use. ENERGY: 4158800 4018.6734 20478.2054 14444.3461 234.0653 -202985.8091 2160.9490 0.0000 0.0000 52149.4301 -109500.1398 299.7035 -161649.5699 -109136.9151 299.1528 -300.2422 -271.9319 761608.9738 8.4073 8.3916 PRESSURE: 4159000 290.567 119.53 -77.8006 119.529 -33.0907 -57.876 -77.8008 -57.8751 77.8407 GPRESSURE: 4159000 213.267 185.116 -74.2931 -70.4315 85.4943 -124.754 -140.343 35.3365 93.0997 PRESSAVG: 4159000 -43.9913 -51.6246 7.28279 -51.6246 34.0779 11.5429 7.2828 11.5428 22.9812 GPRESSAVG: 4159000 -43.2476 -49.9349 6.78238 -53.6898 33.285 10.4337 10.2982 13.5993 23.2296 TIMING: 4159000 CPU: 13216.3, 0.00318879/step Wall: 13216.3, 0.00318879/step, 0.744936 hours remaining, 238.613281 MB of memory in use. ENERGY: 4159000 3914.5712 20357.9528 14468.5944 238.4153 -203065.5066 2397.4773 0.0000 0.0000 52101.9399 -109586.5557 299.4306 -161688.4956 -109224.8228 299.1719 111.7725 130.6205 760328.9362 4.3559 4.4224 PRESSURE: 4159200 -78.5757 -67.0521 48.5092 -67.0524 -115.88 7.28101 48.5088 7.2811 9.33564 GPRESSURE: 4159200 -43.914 -103.711 32.9261 -22.3121 -96.6014 34.6209 -1.30295 -152.352 46.9933 PRESSAVG: 4159200 -50.0881 -49.6199 10.3988 -49.62 11.7467 -21.5788 10.3989 -21.5787 -11.8094 GPRESSAVG: 4159200 -50.7606 -50.4041 10.7161 -47.9256 13.0949 -19.5369 7.89523 -23.7398 -11.896 TIMING: 4159200 CPU: 13216.9, 0.00318995/step Wall: 13216.9, 0.00318995/step, 0.745032 hours remaining, 238.613281 MB of memory in use. ENERGY: 4159200 3939.7472 20516.5274 14430.2413 240.8403 -202974.5679 2491.4821 0.0000 0.0000 51899.9778 -109455.7517 298.2699 -161355.7295 -109099.1665 298.9582 -61.7068 -31.1740 759914.1798 -16.7169 -16.5206 PRESSURE: 4159400 41.1293 -228.695 -16.3235 -228.695 35.7415 -83.9261 -16.3238 -83.925 142.121 GPRESSURE: 4159400 53.4936 -157.525 27.0154 -80.9848 130.633 -80.7498 -98.2716 2.59074 121.863 PRESSAVG: 4159400 -39.0868 -17.5186 -5.80469 -17.5186 41.908 18.3747 -5.80471 18.3747 -16.7061 GPRESSAVG: 4159400 -39.0359 -17.8914 -7.09096 -17.3057 41.0784 16.159 -4.39158 20.3805 -16.2139 TIMING: 4159400 CPU: 13217.5, 0.00320491/step Wall: 13217.5, 0.00320491/step, 0.748347 hours remaining, 238.613281 MB of memory in use. ENERGY: 4159400 3936.5663 20437.9609 14397.0848 253.7110 -203569.4286 2808.4141 0.0000 0.0000 52220.1454 -109515.5461 300.1099 -161735.6915 -109151.9675 299.4111 72.9974 101.9964 759718.4538 -4.6283 -4.7238 PRESSURE: 4159600 200.719 82.573 179.558 82.5728 83.0204 1.49514 179.557 1.49571 224.28 GPRESSURE: 4159600 191.148 37.5002 285.84 51.2619 84.4857 -8.94367 11.5544 45.0142 296.285 PRESSAVG: 4159600 1.60836 -28.572 -11.4013 -28.572 31.9349 29.6301 -11.4013 29.63 -22.4068 GPRESSAVG: 4159600 -0.116177 -29.5031 -10.349 -29.4251 33.2865 29.7069 -12.3277 30.2455 -22.0007 TIMING: 4159600 CPU: 13218.2, 0.00318079/step Wall: 13218.2, 0.00318079/step, 0.742537 hours remaining, 238.613281 MB of memory in use. ENERGY: 4159600 3932.0917 20593.5107 14442.9340 261.5614 -203321.6829 2580.3822 0.0000 0.0000 52125.9924 -109385.2104 299.5688 -161511.2028 -109025.9418 299.1734 169.3400 190.6394 757833.6316 3.7122 3.7232 PRESSURE: 4159800 -316.697 -146.78 45.3969 -146.78 -237.044 1.28039 45.3968 1.28158 349.384 GPRESSURE: 4159800 -218.528 -129.296 32.586 -208.932 -157.95 -60.2293 198.329 -49.6961 270.223 PRESSAVG: 4159800 -33.1592 -51.1701 7.83343 -51.1701 38.1888 10.7025 7.83342 10.7025 -0.896349 GPRESSAVG: 4159800 -30.0235 -49.4235 6.18784 -52.1464 36.2934 12.5729 8.26224 7.16909 -1.61661 TIMING: 4159800 CPU: 13218.8, 0.00319022/step Wall: 13218.8, 0.00319022/step, 0.744562 hours remaining, 238.613281 MB of memory in use. ENERGY: 4159800 3968.2099 20594.9638 14355.3750 224.0648 -203376.5889 2675.1924 0.0000 0.0000 52072.1168 -109486.6664 299.2592 -161558.7832 -109134.3113 299.6073 -68.1189 -35.4183 760609.5133 1.3777 1.5511 PRESSURE: 4160000 -161.678 -89.1801 -297.896 -89.1797 173.934 -156.294 -297.895 -156.295 -85.562 GPRESSURE: 4160000 -104.774 -82.4184 -263.649 -197.536 208.441 -103.83 -141.747 -134.527 -89.4106 PRESSAVG: 4160000 -50.4358 -6.68268 2.55467 -6.68266 38.1462 27.0713 2.55463 27.0713 3.73693 GPRESSAVG: 4160000 -51.3233 -7.82714 3.5711 -4.44894 39.3711 27.9483 3.81905 29.7261 3.57451 TIMING: 4160000 CPU: 13219.4, 0.00322245/step Wall: 13219.4, 0.00322245/step, 0.751904 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4160000 4015.5119 20513.9670 14398.2313 242.0045 -203385.7178 2549.7195 0.0000 0.0000 52171.5842 -109494.6994 299.8308 -161666.2836 -109124.4349 299.0127 -24.4354 4.7522 760560.9073 -2.8509 -2.7926 PRESSURE: 4160200 -8.55567 86.8149 -104.251 86.8149 -13.4806 -76.1357 -104.251 -76.1373 -0.17107 GPRESSURE: 4160200 38.4007 35.6656 -71.4927 57.2709 40.9955 -44.2193 -71.1853 -17.8869 -15.1992 PRESSAVG: 4160200 -52.7026 -48.2381 -19.5461 -48.2381 52.7372 30.3038 -19.5461 30.3038 -15.9013 GPRESSAVG: 4160200 -53.8719 -50.2237 -20.1523 -49.1475 54.096 29.4107 -19.1336 29.7911 -16.0479 TIMING: 4160200 CPU: 13220.1, 0.00316279/step Wall: 13220.1, 0.00316279/step, 0.737808 hours remaining, 238.613281 MB of memory in use. ENERGY: 4160200 4002.5114 20553.5641 14399.8829 245.2387 -203282.4756 2708.6382 0.0000 0.0000 51813.6239 -109559.0164 297.7736 -161372.6403 -109209.0650 299.0854 -7.4025 21.3990 761116.5442 -5.2889 -5.2746 LDB: ============= START OF LOAD BALANCING ============== 13232.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13232.5 LDB: =============== DONE WITH MIGRATION ================ 13232.5 LDB: ============= START OF LOAD BALANCING ============== 13232.8 LDB: Largest compute 7075 load 0.035213 is 18.0% of average load 0.195968 LDB: Average compute 0.004414 is 2.3% of average load 0.195968 LDB: TIME 13232.8 LOAD: AVG 0.195968 MAX 0.216044 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13232.8 LOAD: AVG 0.195968 MAX 0.216044 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 13232.8 LOAD: AVG 0.195968 MAX 0.216044 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: ============== END OF LOAD BALANCING =============== 13232.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13232.8 PRESSURE: 4160400 130.954 272.878 -195.861 272.878 273.912 8.38826 -195.861 8.3882 -256.205 GPRESSURE: 4160400 101.443 236.013 -105.922 246.42 299.235 50.7837 -158.281 -6.5051 -161.999 PRESSAVG: 4160400 -37.6244 -50.9309 60.1199 -50.9309 34.4855 56.0401 60.12 56.0401 -12.7054 GPRESSAVG: 4160400 -37.6908 -48.3303 62.1927 -51.2745 33.1806 54.9855 60.186 54.9985 -11.9785 TIMING: 4160400 CPU: 13220.7, 0.00323485/step Wall: 13220.7, 0.00323485/step, 0.75444 hours remaining, 238.410156 MB of memory in use. ENERGY: 4160400 4018.9624 20382.0102 14390.1948 243.5375 -203499.2145 2607.0681 0.0000 0.0000 52102.1561 -109755.2855 299.4318 -161857.4416 -109381.3442 298.8221 49.5536 79.5597 759717.1034 -5.2814 -5.4962 PRESSURE: 4160600 78.2573 -57.74 99.1709 -57.7396 -238.296 -49.9522 99.17 -49.9524 -16.3554 GPRESSURE: 4160600 76.5523 -59.937 149.354 -65.3407 -138.846 4.90754 8.6617 11.9677 -16.3547 PRESSAVG: 4160600 -22.1959 -34.6318 24.362 -34.6318 11.312 15.4996 24.3619 15.4996 -15.5732 GPRESSAVG: 4160600 -22.196 -36.3188 23.2933 -34.4208 12.1665 16.6969 24.5545 17.711 -16.7371 TIMING: 4160600 CPU: 13221.4, 0.00315873/step Wall: 13221.4, 0.00315873/step, 0.736511 hours remaining, 238.613281 MB of memory in use. ENERGY: 4160600 3877.9858 20444.9476 14385.1689 226.3182 -203621.2214 2635.9188 0.0000 0.0000 52248.9076 -109801.9746 300.2752 -162050.8822 -109445.6799 298.1859 -58.7982 -26.2161 760605.0722 -8.8190 -8.9222 PRESSURE: 4160800 92.2406 21.8386 333.993 21.8379 -103.925 13.6278 333.992 13.6294 -207.341 GPRESSURE: 4160800 156.019 -97.2194 363.818 57.0821 -72.613 43.2632 345.937 -28.7212 -187.964 PRESSAVG: 4160800 -31.8836 28.8871 26.3199 28.887 -2.8866 -23.4046 26.3199 -23.4046 -17.8761 GPRESSAVG: 4160800 -30.8375 27.5097 25.6811 28.2852 -4.87049 -22.9424 27.6223 -26.1069 -16.6504 TIMING: 4160800 CPU: 13222, 0.00319144/step Wall: 13222, 0.00319144/step, 0.743959 hours remaining, 238.613281 MB of memory in use. ENERGY: 4160800 3984.2750 20522.1318 14393.9621 235.7708 -203360.0374 2720.2909 0.0000 0.0000 51723.6342 -109779.9726 297.2564 -161503.6067 -109414.0372 298.4951 -73.0085 -34.8526 763540.9371 -17.5488 -17.4528 PRESSURE: 4161000 -207.083 254.466 62.5077 254.467 -360.186 -328.574 62.5077 -328.572 -326.864 GPRESSURE: 4161000 -179.064 215.142 36.4804 227.331 -309.385 -328.639 147.615 -306.191 -320.547 PRESSAVG: 4161000 13.4021 -20.5988 -6.28982 -20.5987 21.5376 1.04078 -6.28985 1.04086 -16.4946 GPRESSAVG: 4161000 13.6216 -19.564 -5.54132 -19.283 21.6686 -0.313289 -7.25326 3.21156 -16.2208 TIMING: 4161000 CPU: 13222.6, 0.0031552/step Wall: 13222.6, 0.0031552/step, 0.735336 hours remaining, 238.613281 MB of memory in use. ENERGY: 4161000 3930.1715 20668.8297 14382.1098 251.0419 -203807.5732 2660.7982 0.0000 0.0000 51811.3170 -110103.3052 297.7604 -161914.6222 -109744.0673 298.1512 -298.0443 -269.6654 762764.0838 6.1484 6.3565 PRESSURE: 4161200 -5.66903 159.923 -108.612 159.923 -172.926 -66.4367 -108.611 -66.4379 -18.4372 GPRESSURE: 4161200 -37.5266 95.2219 -142.618 170.934 -53.9236 -0.256332 -154.771 -107.351 -34.1585 PRESSAVG: 4161200 61.0469 -21.4148 17.9078 -21.4148 -6.60194 -6.1751 17.9078 -6.1751 21.8294 GPRESSAVG: 4161200 59.6808 -21.2787 19.2542 -23.9175 -4.79882 -6.14491 16.4237 -5.86676 21.684 TIMING: 4161200 CPU: 13223.3, 0.00319075/step Wall: 13223.3, 0.00319075/step, 0.743445 hours remaining, 238.613281 MB of memory in use. ENERGY: 4161200 3909.5525 20477.8823 14381.4595 241.1256 -203728.4523 2799.5960 0.0000 0.0000 52054.6333 -109864.2031 299.1587 -161918.8365 -109498.5805 297.8164 -65.6774 -41.8695 762228.6659 25.4248 25.5220 PRESSURE: 4161400 -205.701 58.2815 -40.8543 58.2828 17.4415 216.608 -40.8552 216.606 -63.9904 GPRESSURE: 4161400 -100.569 77.9449 3.7812 127.331 53.7844 224.614 -59.48 200.358 -127.097 PRESSAVG: 4161400 34.6338 11.353 -12.826 11.353 -34.4977 6.64644 -12.826 6.64647 3.60583 GPRESSAVG: 4161400 36.6202 12.7164 -14.7789 11.0313 -35.4277 8.26559 -11.0402 4.44235 2.3245 TIMING: 4161400 CPU: 13223.9, 0.00316157/step Wall: 13223.9, 0.00316157/step, 0.73647 hours remaining, 238.613281 MB of memory in use. ENERGY: 4161400 4027.0956 20578.8985 14407.7144 250.5800 -203298.4228 2550.1680 0.0000 0.0000 51885.6536 -109598.3126 298.1876 -161483.9663 -109242.7370 298.5535 -84.0833 -57.9604 762906.8265 1.2473 1.1723 PRESSURE: 4161600 -66.5854 -131.598 -3.37571 -131.599 -112.334 -202.796 -3.3752 -202.796 -497.094 GPRESSURE: 4161600 -110.462 -104.198 6.22669 -146.577 -99.969 -127.238 23.6581 -206.247 -388.69 PRESSAVG: 4161600 -31.6889 -10.9171 -14.0126 -10.9171 30.7142 -11.0457 -14.0127 -11.0457 15.992 GPRESSAVG: 4161600 -32.6193 -9.68451 -13.9194 -10.4668 31.358 -13.0731 -14.8697 -11.7305 15.9409 TIMING: 4161600 CPU: 13224.5, 0.00319388/step Wall: 13224.5, 0.00319388/step, 0.743818 hours remaining, 238.613281 MB of memory in use. ENERGY: 4161600 4021.7863 20464.6927 14494.6006 264.9605 -202991.0190 2367.7768 0.0000 0.0000 52041.1673 -109336.0347 299.0813 -161377.2020 -108972.9198 299.1188 -225.3380 -199.7068 762319.8271 5.0058 4.8932 PRESSURE: 4161800 -385.718 404.988 -229.453 404.988 -17.3688 -244.442 -229.453 -244.442 -254.114 GPRESSURE: 4161800 -326.325 278.019 -333.958 318.645 31.0003 -195.778 -268.931 -190.266 -258.165 PRESSAVG: 4161800 -8.0788 -51.1133 -2.96661 -51.1134 6.98395 -25.7802 -2.96661 -25.7801 -4.68844 GPRESSAVG: 4161800 -8.1066 -52.0498 -2.98555 -50.9934 6.10747 -24.814 -3.03762 -24.5594 -3.45111 TIMING: 4161800 CPU: 13225.2, 0.00316668/step Wall: 13225.2, 0.00316668/step, 0.737308 hours remaining, 238.613281 MB of memory in use. ENERGY: 4161800 3947.5096 20448.2006 14336.8888 245.8125 -202756.0959 2397.2282 0.0000 0.0000 52136.7892 -109243.6669 299.6308 -161380.4561 -108870.2324 299.3977 -219.0668 -184.4967 763496.3814 -1.9278 -1.8167 PRESSURE: 4162000 -76.4607 -223.771 239.738 -223.771 123.272 -82.9011 239.737 -82.9016 -55.1367 GPRESSURE: 4162000 10.6406 -71.8051 249.405 -164.301 136.706 -75.3958 298.419 -145.373 -62.9515 PRESSAVG: 4162000 -12.3878 -20.7481 -3.68996 -20.7482 -6.57532 -11.2516 -3.68995 -11.2516 15.272 GPRESSAVG: 4162000 -11.443 -20.9615 -0.986386 -19.9347 -6.57919 -11.4139 -2.75364 -10.6905 14.3021 TIMING: 4162000 CPU: 13225.8, 0.00320101/step Wall: 13225.8, 0.00320101/step, 0.745125 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4162000 4024.9589 20620.7054 14339.4034 237.0582 -203096.8725 2608.2965 0.0000 0.0000 52216.6347 -109049.8155 300.0897 -161266.4501 -108690.0968 299.7570 -2.7751 28.1318 762084.0578 -1.2304 -1.2400 PRESSURE: 4162200 -326.873 17.1637 -130.808 17.1639 -265.229 60.9921 -130.809 60.992 5.40397 GPRESSURE: 4162200 -319.924 -154.673 -22.881 25.0027 -174.032 102.911 -223.082 -210.54 -3.34467 PRESSAVG: 4162200 -30.0586 -44.9835 -10.0923 -44.9835 22.4116 -38.5017 -10.0923 -38.5018 -16.5588 GPRESSAVG: 4162200 -31.361 -46.0264 -11.3147 -45.5846 23.3994 -38.9307 -9.88602 -40.5973 -16.2038 TIMING: 4162200 CPU: 13226.4, 0.00317121/step Wall: 13226.4, 0.00317121/step, 0.738012 hours remaining, 238.613281 MB of memory in use. ENERGY: 4162200 4101.5689 20551.5397 14361.2667 257.4104 -202630.3132 2454.2436 0.0000 0.0000 51662.5056 -109241.7782 296.9051 -160904.2838 -108882.9208 299.5704 -195.5662 -165.7670 763515.8299 -8.0686 -8.0551 PRESSURE: 4162400 -44.3267 22.8621 -370.297 22.8618 81.6927 -77.5782 -370.297 -77.5785 210.039 GPRESSURE: 4162400 55.2976 49.2553 -410.581 -11.4832 116.972 27.9021 -295.735 -84.9956 175.017 PRESSAVG: 4162400 -68.8117 -9.08889 6.93357 -9.08887 21.4329 -10.2527 6.93355 -10.2528 13.659 GPRESSAVG: 4162400 -67.4186 -9.23939 5.6423 -8.5738 20.687 -9.32454 7.26899 -7.53158 12.9347 TIMING: 4162400 CPU: 13227.1, 0.00318416/step Wall: 13227.1, 0.00318416/step, 0.740847 hours remaining, 238.613281 MB of memory in use. ENERGY: 4162400 3898.4831 20498.7752 14362.8747 228.6506 -203103.4839 2674.2889 0.0000 0.0000 52217.8871 -109222.5243 300.0969 -161440.4115 -108844.7479 299.5829 82.4685 115.7621 762788.5654 -11.2399 -11.2656 PRESSURE: 4162600 114.299 127.748 21.0318 127.748 -367.674 -149.344 21.0327 -149.344 92.7489 GPRESSURE: 4162600 156.812 158.614 -47.2257 117.349 -357.705 -175.381 -84.2661 -144.307 115.795 PRESSAVG: 4162600 -80.7071 13.7984 1.11306 13.7983 37.6076 -27.6745 1.11311 -27.6745 1.86415 GPRESSAVG: 4162600 -81.6194 14.3755 1.72362 12.7926 37.9933 -27.6851 0.968663 -27.6759 1.99012 TIMING: 4162600 CPU: 13227.7, 0.00317992/step Wall: 13227.7, 0.00317992/step, 0.739684 hours remaining, 238.613281 MB of memory in use. ENERGY: 4162600 4001.9688 20559.7843 14424.0169 248.3069 -203237.2607 2481.3803 0.0000 0.0000 52396.7101 -109125.0935 301.1246 -161521.8035 -108756.4706 299.6869 -53.5423 -28.3659 761865.4740 -13.7451 -13.8787 PRESSURE: 4162800 192.976 -151.82 -88.3951 -151.82 158.704 3.47349 -88.3946 3.47284 254.305 GPRESSURE: 4162800 186.608 -264.115 -102.551 -125.813 146.512 46.9279 -57.1423 -8.28005 344.47 PRESSAVG: 4162800 -37.3401 -29.8599 -22.28 -29.8599 23.6756 -6.43982 -22.28 -6.43987 9.39267 GPRESSAVG: 4162800 -37.5353 -31.6982 -22.2819 -30.3584 23.3414 -5.80536 -23.1708 -7.8796 9.46627 TIMING: 4162800 CPU: 13228.4, 0.00317127/step Wall: 13228.4, 0.00317127/step, 0.737497 hours remaining, 238.613281 MB of memory in use. ENERGY: 4162800 3966.3793 20591.1842 14422.3672 240.2143 -203252.1777 2655.7551 0.0000 0.0000 52309.9768 -109066.3008 300.6262 -161376.2776 -108702.2825 299.8258 201.9949 225.8635 762666.3917 -1.4239 -1.5759 PRESSURE: 4163000 -33.5243 173.484 -10.4177 173.484 -114.089 111.41 -10.4166 111.41 288.4 GPRESSURE: 4163000 53.5941 70.064 -51.0278 16.0279 -38.25 217.227 -61.1654 40.9503 245.76 PRESSAVG: 4163000 -21.3772 -47.6472 -19.4104 -47.6472 18.4668 9.5221 -19.4104 9.52213 -5.7247 GPRESSAVG: 4163000 -21.8952 -46.3408 -20.1252 -46.8944 19.4729 8.76589 -19.0508 9.67509 -5.71928 TIMING: 4163000 CPU: 13229, 0.00314188/step Wall: 13229, 0.00314188/step, 0.730487 hours remaining, 238.613281 MB of memory in use. ENERGY: 4163000 3905.2050 20612.9674 14400.4393 241.8776 -203023.4276 2551.4073 0.0000 0.0000 51985.1889 -109326.3421 298.7596 -161311.5311 -108960.8314 299.7101 46.9289 87.0347 761137.7680 -2.8784 -2.7139 PRESSURE: 4163200 49.2084 60.0531 -51.4973 60.0537 -128.096 -107.698 -51.4969 -107.697 271.837 GPRESSURE: 4163200 -61.1978 -27.5194 -56.9905 59.3676 35.4936 -104.915 -24.5056 -127.861 320.97 PRESSAVG: 4163200 0.187802 -15.3832 -12.0572 -15.3832 26.201 -38.011 -12.0571 -38.011 6.02462 GPRESSAVG: 4163200 -0.156644 -15.4969 -9.55131 -16.6102 25.1625 -37.8087 -14.3527 -37.9504 7.61244 TIMING: 4163200 CPU: 13229.6, 0.00314547/step Wall: 13229.6, 0.00314547/step, 0.731148 hours remaining, 238.613281 MB of memory in use. ENERGY: 4163200 3945.0473 20490.8895 14444.4875 239.0566 -203122.4953 2665.6526 0.0000 0.0000 52025.4145 -109311.9473 298.9908 -161337.3619 -108951.3489 299.2129 64.3166 98.4219 760313.7155 10.8045 10.8728 PRESSURE: 4163400 -217.675 -1.9757 -201.166 -1.97489 -37.5002 -86.0107 -201.165 -86.0102 -212.927 GPRESSURE: 4163400 -166.911 65.5841 -217.841 87.4568 -81.7245 -92.1448 -150.472 -84.697 -149.735 PRESSAVG: 4163400 -33.8234 -47.2388 32.3508 -47.2388 38.2252 20.9029 32.3508 20.9028 7.61743 GPRESSAVG: 4163400 -33.332 -48.0859 30.9373 -45.5735 37.1694 20.0987 34.2123 21.3516 7.70868 TIMING: 4163400 CPU: 13230.2, 0.00316158/step Wall: 13230.2, 0.00316158/step, 0.734716 hours remaining, 238.613281 MB of memory in use. ENERGY: 4163400 3952.5005 20597.8132 14288.0830 262.7201 -202775.0187 2069.1579 0.0000 0.0000 52140.5110 -109464.2330 299.6522 -161604.7440 -109093.6762 298.6590 -156.0341 -132.7903 761672.3479 4.0064 3.8487 PRESSURE: 4163600 -301.045 141.79 350.573 141.791 -165.162 -100.573 350.573 -100.574 -580.66 GPRESSURE: 4163600 -234.601 121.142 306.575 214.03 -185.539 -175.811 190.198 -109.714 -559.551 PRESSAVG: 4163600 31.8228 42.8067 -31.1306 42.8068 17.3074 -24.9723 -31.1306 -24.9723 5.55849 GPRESSAVG: 4163600 31.9874 43.6448 -29.8149 41.5939 17.9431 -25.7695 -32.6045 -23.6778 5.13354 TIMING: 4163600 CPU: 13230.9, 0.00314587/step Wall: 13230.9, 0.00314587/step, 0.730892 hours remaining, 238.613281 MB of memory in use. ENERGY: 4163600 3974.6290 20717.4033 14378.5330 236.7360 -203042.0659 2378.4637 0.0000 0.0000 51989.0584 -109367.2425 298.7818 -161356.3008 -108995.8734 299.1510 -348.9559 -326.5638 760617.3609 18.2296 18.3547 PRESSURE: 4163800 -294.066 -108.718 -74.7199 -108.718 -80.4687 5.62041 -74.7199 5.62142 37.5928 GPRESSURE: 4163800 -227.786 -47.6233 -61.8409 -94.3867 -62.1049 -59.1634 -41.2344 -58.1045 17.0294 PRESSAVG: 4163800 -30.0251 -67.441 3.15397 -67.4411 32.6794 17.2962 3.15395 17.2963 16.95 GPRESSAVG: 4163800 -30.786 -68.1037 2.2909 -65.9763 34.7013 17.4065 4.75078 14.3141 15.5717 TIMING: 4163800 CPU: 13231.5, 0.0031633/step Wall: 13231.5, 0.0031633/step, 0.734765 hours remaining, 238.613281 MB of memory in use. ENERGY: 4163800 4011.0276 20632.9143 14446.6980 238.6911 -203167.4761 2366.0397 0.0000 0.0000 52125.0528 -109347.0526 299.5634 -161472.1053 -108978.4973 299.6428 -112.3140 -90.9540 761137.8848 6.5348 6.4957 PRESSURE: 4164000 -34.449 -163.772 41.1621 -163.773 213.36 39.3982 41.1615 39.3998 -95.8867 GPRESSURE: 4164000 -42.1537 -153.288 96.5949 -150.464 198.269 37.4406 -0.656489 94.8881 7.34217 PRESSAVG: 4164000 3.58175 -66.2593 21.1139 -66.2594 16.416 -62.6807 21.1139 -62.6807 -21.9456 GPRESSAVG: 4164000 5.59788 -65.3508 21.5187 -66.5495 13.6285 -61.0015 18.9307 -62.0108 -21.2226 TIMING: 4164000 CPU: 13232.1, 0.0031492/step Wall: 13232.1, 0.0031492/step, 0.731313 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4164000 3892.8519 20834.9525 14441.6285 226.4101 -203407.1382 2777.8454 0.0000 0.0000 51926.2050 -109307.2448 298.4206 -161233.4498 -108952.5963 299.2704 27.6747 54.4859 762045.7856 -0.6493 -0.6654 PRESSURE: 4164200 -21.9495 85.6364 -130.339 85.6363 -90.1449 4.46807 -130.339 4.46682 461.693 GPRESSURE: 4164200 36.5708 173.067 -169.328 130.389 -93.7485 -36.0607 -148.021 -37.1574 493.037 PRESSAVG: 4164200 -1.15505 -21.8111 25.2966 -21.8111 -4.75433 -25.443 25.2966 -25.4431 2.11449 GPRESSAVG: 4164200 -0.564591 -21.0087 26.0459 -23.2979 -5.83839 -26.5084 26.1854 -26.7447 3.21737 TIMING: 4164200 CPU: 13232.8, 0.00316079/step Wall: 13232.8, 0.00316079/step, 0.73383 hours remaining, 238.613281 MB of memory in use. ENERGY: 4164200 3986.3622 20478.1741 14402.6724 257.0492 -203190.8770 2469.4906 0.0000 0.0000 52246.3679 -109350.7606 300.2606 -161597.1285 -108993.7208 299.5408 116.5329 145.2865 760497.2876 -1.2650 -1.0619 LDB: ============= START OF LOAD BALANCING ============== 13245.2 LDB: ============== END OF LOAD BALANCING =============== 13245.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13245.2 LDB: ============= START OF LOAD BALANCING ============== 13245.5 LDB: Largest compute 7024 load 0.035932 is 18.3% of average load 0.196091 LDB: Average compute 0.004393 is 2.2% of average load 0.196091 LDB: TIME 13245.5 LOAD: AVG 0.196091 MAX 0.215505 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 13245.5 LOAD: AVG 0.196091 MAX 0.215505 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 13245.5 LOAD: AVG 0.196091 MAX 0.215505 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 13245.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13245.5 PRESSURE: 4164400 -96.0973 -379.062 -196.347 -379.062 -170.57 -240.064 -196.347 -240.063 -66.6133 GPRESSURE: 4164400 -86.6429 -252.868 -184.338 -280.477 -98.7598 -209.341 -194.076 -149.716 -55.8493 PRESSAVG: 4164400 -47.9455 -27.1466 18.2982 -27.1466 51.1632 15.8979 18.2981 15.8979 -0.0896195 GPRESSAVG: 4164400 -48.5753 -27.6758 16.905 -24.8172 53.9168 16.1844 19.9607 17.69 -1.70922 TIMING: 4164400 CPU: 13233.4, 0.0032391/step Wall: 13233.4, 0.0032391/step, 0.751831 hours remaining, 238.410156 MB of memory in use. ENERGY: 4164400 3968.8405 20623.3712 14368.4655 229.4092 -203339.7085 2730.4516 0.0000 0.0000 51953.4596 -109465.7108 298.5772 -161419.1704 -109095.9292 299.1948 -111.0937 -80.4173 761189.4786 1.0427 1.2108 PRESSURE: 4164600 -444.922 13.1504 85.5877 13.1511 -454.182 -11.1756 85.5874 -11.1755 -515.6 GPRESSURE: 4164600 -416.475 181.523 120.492 24.2313 -476.546 -14.012 -16.9833 -24.7394 -431.633 PRESSAVG: 4164600 6.0699 -85.3605 -14.302 -85.3605 -4.82522 -22.2414 -14.3019 -22.2415 6.77629 GPRESSAVG: 4164600 5.01893 -83.6887 -13.4855 -85.7985 -4.76699 -23.8935 -16.24 -23.5713 7.1718 TIMING: 4164600 CPU: 13234.1, 0.00318809/step Wall: 13234.1, 0.00318809/step, 0.739813 hours remaining, 238.410156 MB of memory in use. ENERGY: 4164600 4042.8163 20604.9405 14439.0895 235.6943 -203006.9191 2493.4070 0.0000 0.0000 51816.0034 -109374.9681 297.7873 -161190.9715 -109017.4670 299.3777 -471.5682 -441.5517 763017.9197 2.6737 2.4746 PRESSURE: 4164800 -6.70475 101.027 -41.3086 101.027 118.785 -318.52 -41.3088 -318.519 -490.774 GPRESSURE: 4164800 28.8881 7.71335 -111.744 2.24763 136.685 -235.163 -27.0574 -292.099 -450.939 PRESSAVG: 4164800 30.2001 -60.2577 -11.0019 -60.2577 -9.09979 -38.127 -11.0019 -38.127 20.4383 GPRESSAVG: 4164800 31.7349 -62.964 -12.0288 -60.4432 -11.6183 -38.422 -11.0303 -36.5019 21.3554 TIMING: 4164800 CPU: 13234.7, 0.00321662/step Wall: 13234.7, 0.00321662/step, 0.746256 hours remaining, 238.410156 MB of memory in use. ENERGY: 4164800 4020.8207 20536.1522 14362.4721 232.8266 -203036.3383 2352.2668 0.0000 0.0000 51716.1851 -109815.6148 297.2136 -161531.7999 -109456.1744 298.4515 -126.2312 -95.1219 760863.5517 13.8462 13.8240 PRESSURE: 4165000 -123.028 -196.718 -82.8177 -196.717 59.9381 117.266 -82.8176 117.266 -517.477 GPRESSURE: 4165000 -129.359 -89.5832 -182.949 -219.785 142.228 29.9493 48.9392 70.4392 -505.246 PRESSAVG: 4165000 -18.7345 -16.0296 -69.5193 -16.0296 16.1315 20.2468 -69.5193 20.2468 -1.60049 GPRESSAVG: 4165000 -20.271 -13.5362 -71.4262 -18.7045 19.2114 20.1601 -68.8664 18.3529 -3.23026 TIMING: 4165000 CPU: 13235.3, 0.00321036/step Wall: 13235.3, 0.00321036/step, 0.744625 hours remaining, 238.410156 MB of memory in use. ENERGY: 4165000 4011.1500 20552.2026 14412.2534 222.3685 -202822.8923 1978.7509 0.0000 0.0000 51982.2176 -109663.9493 298.7425 -161646.1669 -109306.3221 298.4392 -193.5221 -164.1255 759645.5186 -1.4012 -1.4300 PRESSURE: 4165200 152.355 -44.64 -155.576 -44.6397 -135.433 29.9581 -155.576 29.9588 103.527 GPRESSURE: 4165200 171.067 -135.412 -226.612 -199.498 -32.1229 52.8997 -104.949 31.1668 50.4184 PRESSAVG: 4165200 5.18843 3.52257 -28.0801 3.52256 31.8262 -16.2456 -28.0801 -16.2457 0.912814 GPRESSAVG: 4165200 5.42282 0.891675 -25.6347 6.05896 31.4074 -13.9998 -27.448 -17.0693 1.48379 TIMING: 4165200 CPU: 13236, 0.00319172/step Wall: 13236, 0.00319172/step, 0.740124 hours remaining, 238.410156 MB of memory in use. ENERGY: 4165200 4007.7407 20531.3053 14393.9227 242.6763 -202818.5926 2083.8605 0.0000 0.0000 51851.4411 -109707.6461 297.9909 -161559.0871 -109349.0714 298.6663 40.1496 63.1208 759827.2038 12.6425 12.7713 PRESSURE: 4165400 148.158 179.984 49.4492 179.984 -97.8394 11.1825 49.4499 11.1822 -156.1 GPRESSURE: 4165400 143.388 244.297 64.0004 92.9617 -58.8287 67.4811 17.3105 134.125 -108.603 PRESSAVG: 4165400 -73.4146 1.67087 -28.3614 1.67088 87.3847 -19.2789 -28.3614 -19.2789 17.2344 GPRESSAVG: 4165400 -74.5033 3.57333 -29.0508 2.21295 87.8942 -19.2539 -27.917 -19.8007 18.0708 TIMING: 4165400 CPU: 13236.6, 0.00321805/step Wall: 13236.6, 0.00321805/step, 0.746051 hours remaining, 238.410156 MB of memory in use. ENERGY: 4165400 3932.9840 20509.5195 14379.3914 225.6645 -203279.2761 2539.7038 0.0000 0.0000 51991.3399 -109700.6731 298.7949 -161692.0130 -109332.4783 298.0498 -35.2607 -8.0145 760981.3702 10.4015 10.4872 PRESSURE: 4165600 21.6513 1.69647 -2.89377 1.69669 -93.2919 40.5877 -2.89383 40.5871 201.525 GPRESSURE: 4165600 79.7706 18.8947 -93.2937 81.0699 -36.6582 66.9236 -23.1199 123.252 146.43 PRESSAVG: 4165600 -27.866 -13.7614 33.578 -13.7614 22.692 10.1163 33.5781 10.1163 15.673 GPRESSAVG: 4165600 -26.8928 -14.7764 33.8271 -13.3356 22.1754 8.76161 31.0496 12.6419 14.8283 TIMING: 4165600 CPU: 13237.3, 0.00320045/step Wall: 13237.3, 0.00320045/step, 0.741794 hours remaining, 238.410156 MB of memory in use. ENERGY: 4165600 3925.4979 20574.6022 14379.2181 244.0086 -203523.7172 2723.6396 0.0000 0.0000 52093.4571 -109583.2935 299.3818 -161676.7506 -109232.9662 299.1352 43.2949 63.1807 759391.6082 3.4997 3.3703 PRESSURE: 4165800 -312.283 56.1109 -135.979 56.111 -162.974 -157.062 -135.98 -157.062 28.4267 GPRESSURE: 4165800 -209.015 -34.3329 -121.922 71.5036 -215.754 -198.291 6.22349 -60.4607 62.956 PRESSAVG: 4165800 -63.2074 -44.3351 2.52321 -44.3351 61.9273 40.198 2.52311 40.1981 4.90543 GPRESSAVG: 4165800 -63.7757 -45.3325 3.6839 -44.7558 61.4567 40.9362 4.05008 38.3618 5.40426 TIMING: 4165800 CPU: 13237.9, 0.00322676/step Wall: 13237.9, 0.00322677/step, 0.747713 hours remaining, 238.410156 MB of memory in use. ENERGY: 4165800 3965.6295 20489.1198 14368.4904 234.1015 -202937.0074 2278.6892 0.0000 0.0000 51831.2750 -109769.7019 297.8751 -161600.9770 -109408.6684 298.8806 -148.9432 -120.6044 758856.8740 1.2085 1.0284 PRESSURE: 4166000 -305.071 -95.932 187.051 -95.9319 -49.6214 110.505 187.052 110.505 282.814 GPRESSURE: 4166000 -232.783 -78.5275 151.694 28.6665 -18.6763 150.023 107.76 93.195 264.803 PRESSAVG: 4166000 -34.649 13.0132 16.3961 13.0133 45.4177 37.6245 16.3961 37.6246 0.226308 GPRESSAVG: 4166000 -33.6555 15.4182 13.7183 11.7027 45.8212 36.7543 16.2289 39.055 -0.586944 TIMING: 4166000 CPU: 13238.5, 0.00316164/step Wall: 13238.5, 0.00316164/step, 0.732447 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4166000 3973.3203 20510.0074 14416.4434 239.9186 -203344.6537 2347.9512 0.0000 0.0000 52066.4100 -109790.6029 299.2264 -161857.0129 -109431.1380 298.6553 -23.9594 4.4478 758127.9659 3.6650 3.8596 PRESSURE: 4166200 237.261 -149.525 -140.85 -149.526 138.481 49.1623 -140.85 49.1622 -116.916 GPRESSURE: 4166200 205.233 -62.1478 -261.441 -148.628 270.054 60.819 35.7795 30.369 -140.091 PRESSAVG: 4166200 -17.0677 -48.896 17.8793 -48.896 41.9828 -8.292 17.8794 -8.29196 6.57942 GPRESSAVG: 4166200 -16.7809 -51.6179 18.9257 -46.7329 40.4328 -9.24777 18.3598 -8.08707 7.7589 TIMING: 4166200 CPU: 13239.2, 0.00315777/step Wall: 13239.2, 0.00315777/step, 0.731374 hours remaining, 238.410156 MB of memory in use. ENERGY: 4166200 3995.8128 20412.9073 14334.8639 234.7119 -203472.3470 2487.6767 0.0000 0.0000 51978.6306 -110027.7439 298.7219 -162006.3745 -109679.3722 298.5304 86.2754 111.7318 758712.7905 10.4982 10.4703 PRESSURE: 4166400 -251.7 48.5909 274.77 48.5909 -322.261 -184.863 274.769 -184.862 -484.951 GPRESSURE: 4166400 -272.322 63.0407 310.473 -81.9613 -286.165 -194.063 156.253 -19.5752 -421.06 PRESSAVG: 4166400 -15.2783 -33.8533 7.62438 -33.8533 15.0437 -10.7997 7.62434 -10.7998 26.2902 GPRESSAVG: 4166400 -15.7072 -32.0594 8.90488 -36.0385 16.8631 -8.08753 7.16805 -12.0879 25.1542 TIMING: 4166400 CPU: 13239.8, 0.0031654/step Wall: 13239.8, 0.0031654/step, 0.732966 hours remaining, 238.410156 MB of memory in use. ENERGY: 4166400 4080.0977 20391.8992 14318.8243 231.7933 -203367.1666 2143.6498 0.0000 0.0000 52076.8999 -110124.0025 299.2867 -162200.9024 -109771.3221 298.4366 -352.9707 -326.5155 759752.4150 8.6852 8.7700 PRESSURE: 4166600 -269.395 -158.509 293.709 -158.509 -172.93 -189.313 293.71 -189.313 -108.269 GPRESSURE: 4166600 -224.934 -185.608 219.797 -114.633 -137.18 -207.127 191.263 -99.1933 -116.214 PRESSAVG: 4166600 10.7246 -8.07377 -6.31364 -8.07381 26.3939 19.1862 -6.31368 19.1862 4.60375 GPRESSAVG: 4166600 11.4616 -10.1776 -5.71259 -4.70749 24.9871 18.1403 -6.61455 21.8059 4.26675 TIMING: 4166600 CPU: 13240.4, 0.00316706/step Wall: 13240.4, 0.00316706/step, 0.733175 hours remaining, 238.410156 MB of memory in use. ENERGY: 4166600 3976.1772 20515.8026 14350.5418 242.2808 -203320.6753 2401.1824 0.0000 0.0000 51831.0787 -110003.6119 297.8739 -161834.6906 -109642.8796 298.4570 -183.5315 -159.4428 759610.4055 13.9074 13.5718 PRESSURE: 4166800 262.09 7.94331 -237.426 7.94401 -63.4123 103.01 -237.426 103.011 98.7642 GPRESSURE: 4166800 265.643 -86.1837 -169.44 48.8487 39.9475 71.9495 -191.58 106.255 78.5182 PRESSAVG: 4166800 -23.7871 -1.21195 -19.5463 -1.21193 -10.9096 -3.47032 -19.5462 -3.47031 2.04571 GPRESSAVG: 4166800 -25.6099 0.545236 -19.9098 -5.28931 -8.80473 -6.9091 -18.0519 -2.18109 2.37404 TIMING: 4166800 CPU: 13241.1, 0.00316838/step Wall: 13241.1, 0.00316838/step, 0.733304 hours remaining, 238.410156 MB of memory in use. ENERGY: 4166800 3920.4033 20507.3818 14372.8183 253.1759 -203303.7998 2240.3622 0.0000 0.0000 51937.6232 -110072.0349 298.4862 -162009.6581 -109705.4592 298.2702 99.1473 128.0361 759633.9427 -10.8837 -10.6802 PRESSURE: 4167000 261.307 -1.25042 -167.998 -1.25057 -252.213 -142.884 -167.998 -142.883 223.78 GPRESSURE: 4167000 261.323 -13.0774 -85.7152 -20.634 -180.802 -103.992 -140.272 -245.549 229.218 PRESSAVG: 4167000 41.9735 -3.51846 -31.8696 -3.51847 -7.40611 8.37252 -31.8696 8.37248 14.4929 GPRESSAVG: 4167000 43.1453 -2.36877 -31.679 -3.08886 -8.89619 9.90185 -33.8006 6.07586 14.0006 TIMING: 4167000 CPU: 13241.7, 0.00316132/step Wall: 13241.7, 0.00316132/step, 0.731494 hours remaining, 238.410156 MB of memory in use. ENERGY: 4167000 3993.3610 20474.5016 14391.6439 277.1322 -203778.9076 2741.7755 0.0000 0.0000 51688.1848 -110212.3087 297.0527 -161900.4935 -109852.0373 297.8681 77.6243 103.2466 759826.1617 16.3534 16.0832 PRESSURE: 4167200 -247.927 -27.0415 -41.9665 -27.0409 -26.7306 -63.1383 -41.9667 -63.1376 343.02 GPRESSURE: 4167200 -108.271 -61.1587 -113.895 -117.176 -30.1362 -61.0947 -37.9283 -36.8246 300.767 PRESSAVG: 4167200 57.6864 -35.6085 6.41339 -35.6085 -79.1837 -27.055 6.41346 -27.055 17.7726 GPRESSAVG: 4167200 58.0661 -36.9486 4.61437 -33.6928 -79.0951 -26.2438 9.25863 -25.2136 17.1205 TIMING: 4167200 CPU: 13242.3, 0.00319916/step Wall: 13242.3, 0.00319916/step, 0.740072 hours remaining, 238.410156 MB of memory in use. ENERGY: 4167200 3971.4329 20548.3796 14389.9667 257.6107 -204013.4899 2519.3921 0.0000 0.0000 51930.7780 -110395.9299 298.4469 -162326.7078 -110043.7937 298.1855 22.7875 54.1199 760116.8223 -1.2416 -1.3029 PRESSURE: 4167400 365.849 -29.2564 294.697 -29.256 118.957 165.679 294.696 165.679 117.24 GPRESSURE: 4167400 309.75 -43.4039 227.801 -98.8514 199.868 184.92 256.106 219.972 164.989 PRESSAVG: 4167400 5.96708 -13.377 -54.197 -13.377 22.5257 -5.11811 -54.197 -5.11809 11.8763 GPRESSAVG: 4167400 3.50521 -12.1365 -54.7158 -15.6859 23.3777 -5.39094 -55.3188 -6.61434 13.8517 TIMING: 4167400 CPU: 13243, 0.0031872/step Wall: 13243, 0.0031872/step, 0.737128 hours remaining, 238.410156 MB of memory in use. ENERGY: 4167400 4007.9655 20436.1194 14352.4704 259.8618 -204338.7727 3075.2522 0.0000 0.0000 51714.5256 -110492.5779 297.2041 -162207.1035 -110141.6127 298.1409 200.6820 224.8693 760759.4528 13.4564 13.5782 PRESSURE: 4167600 88.0943 -49.4674 4.30131 -49.4666 7.77389 -174.938 4.30153 -174.938 38.813 GPRESSURE: 4167600 81.8608 28.5975 21.7605 -20.7444 29.2812 -153.107 -17.4862 -123.086 78.253 PRESSAVG: 4167600 30.7018 -43.9993 -11.1063 -43.9992 12.3722 -34.3578 -11.1063 -34.3578 16.1185 GPRESSAVG: 4167600 32.083 -45.9419 -10.6474 -41.7137 12.6943 -34.3607 -11.6337 -35.2116 14.6805 TIMING: 4167600 CPU: 13243.6, 0.00316293/step Wall: 13243.6, 0.00316293/step, 0.73134 hours remaining, 238.410156 MB of memory in use. ENERGY: 4167600 3981.8564 20510.3413 14352.7604 250.0277 -204212.2195 2899.8516 0.0000 0.0000 51699.1930 -110518.1891 297.1160 -162217.3821 -110159.9974 298.0327 44.8937 63.1317 761093.9646 19.7308 19.8193 PRESSURE: 4167800 -131.229 3.66643 -165.212 3.66644 298.546 193.767 -165.213 193.766 197.341 GPRESSURE: 4167800 -39.5485 -24.6129 -254.36 2.88679 275.959 237.07 -123.285 112.57 198.046 PRESSAVG: 4167800 -20.5224 -45.6459 -43.0582 -45.646 -1.70748 -2.71577 -43.0582 -2.71585 -21.3443 GPRESSAVG: 4167800 -21.1423 -44.9384 -42.4296 -44.2706 -1.45112 -3.08547 -43.9982 -2.48958 -20.6293 TIMING: 4167800 CPU: 13244.3, 0.00322136/step Wall: 13244.3, 0.00322136/step, 0.744671 hours remaining, 238.410156 MB of memory in use. ENERGY: 4167800 3936.4763 20510.3175 14362.8885 236.3836 -204241.3712 2928.6650 0.0000 0.0000 51828.9879 -110437.6524 297.8619 -162266.6404 -110084.7549 297.4942 121.5524 144.8187 759987.0845 -14.5247 -14.4076 PRESSURE: 4168000 -522.39 97.2129 117.676 97.2115 -117.581 175.215 117.676 175.216 -49.0967 GPRESSURE: 4168000 -463.747 128.794 10.9782 48.9281 -79.5933 185.684 76.5627 153.408 -40.5521 PRESSAVG: 4168000 -40.3281 -25.195 44.5349 -25.195 86.1474 69.2488 44.5349 69.2488 11.876 GPRESSAVG: 4168000 -38.6718 -25.7154 44.0472 -27.6925 85.1474 69.4051 42.7537 71.2458 11.7479 TIMING: 4168000 CPU: 13244.9, 0.0032285/step Wall: 13244.9, 0.0032285/step, 0.746143 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4168000 3982.6252 20353.1174 14308.5725 227.8609 -203786.8027 2596.8933 0.0000 0.0000 51781.7411 -110535.9923 297.5904 -162317.7334 -110168.2913 297.7331 -229.6892 -194.6309 762860.4164 19.2318 19.4078 PRESSURE: 4168200 -68.1781 -23.6996 62.3008 -23.7003 -0.949475 -14.0596 62.3015 -14.0602 205.041 GPRESSURE: 4168200 -24.2834 8.90317 58.1071 6.40468 114.323 32.8601 58.644 62.3684 152.135 PRESSAVG: 4168200 -32.796 -61.6776 42.3675 -61.6776 -1.85122 27.6792 42.3676 27.6792 -12.8312 GPRESSAVG: 4168200 -33.7395 -60.9232 42.1736 -60.7436 -0.384672 28.4297 44.6534 28.2379 -13.5181 TIMING: 4168200 CPU: 13245.5, 0.00321354/step Wall: 13245.5, 0.00321354/step, 0.742507 hours remaining, 238.410156 MB of memory in use. ENERGY: 4168200 4026.7779 20454.7728 14327.9701 244.6231 -204026.5768 2796.9302 0.0000 0.0000 51685.4864 -110490.0162 297.0372 -162175.5026 -110125.4393 297.1630 45.3043 80.7249 762291.1844 -15.8261 -15.8807 LDB: ============= START OF LOAD BALANCING ============== 13257.9 LDB: ============== END OF LOAD BALANCING =============== 13257.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13257.9 LDB: ============= START OF LOAD BALANCING ============== 13258.3 LDB: Largest compute 7075 load 0.034177 is 17.4% of average load 0.196104 LDB: Average compute 0.004411 is 2.2% of average load 0.196104 LDB: TIME 13258.3 LOAD: AVG 0.196104 MAX 0.215005 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.984 MB LDB: TIME 13258.3 LOAD: AVG 0.196104 MAX 0.215005 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: TIME 13258.3 LOAD: AVG 0.196104 MAX 0.215005 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: ============== END OF LOAD BALANCING =============== 13258.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13258.3 PRESSURE: 4168400 -247.072 -77.9309 -33.1443 -77.9317 8.99533 -151.45 -33.1433 -151.451 -287.477 GPRESSURE: 4168400 -168.106 -15.0533 -61.24 -170.164 -96.1993 -158.417 19.6011 -61.1302 -188.945 PRESSAVG: 4168400 -14.6378 -1.66088 23.1511 -1.66092 -25.8592 15.6642 23.1511 15.6643 -4.61508 GPRESSAVG: 4168400 -14.1012 -2.32111 24.468 -2.66353 -27.2296 14.9348 24.1474 14.1862 -4.31581 TIMING: 4168400 CPU: 13246.2, 0.00323804/step Wall: 13246.2, 0.00323804/step, 0.747988 hours remaining, 237.640625 MB of memory in use. ENERGY: 4168400 4026.1104 20364.7769 14326.9414 242.1515 -203999.6025 2849.6555 0.0000 0.0000 51808.8635 -110381.1033 297.7463 -162189.9668 -110015.7862 297.2014 -175.1846 -151.0834 761152.8907 -15.0374 -15.2155 PRESSURE: 4168600 131.908 24.1105 -305.422 24.1115 -142.89 183.086 -305.422 183.084 -244.375 GPRESSURE: 4168600 223.813 58.6009 -303.047 100.678 -148.116 268.712 -299.612 105.74 -253.758 PRESSAVG: 4168600 38.647 -2.15866 -32.8026 -2.15863 -7.59118 12.874 -32.8027 12.8739 -11.6102 GPRESSAVG: 4168600 38.8188 -2.69635 -32.9709 -0.433949 -8.36501 13.4407 -34.3261 12.8155 -11.2075 TIMING: 4168600 CPU: 13246.8, 0.00317917/step Wall: 13246.8, 0.00317917/step, 0.734211 hours remaining, 237.640625 MB of memory in use. ENERGY: 4168600 3973.9289 20632.3035 14396.5048 254.0813 -203452.1253 2428.5308 0.0000 0.0000 51706.8779 -110059.8981 297.1601 -161766.7760 -109699.4181 297.9123 -85.1191 -59.3537 759808.4904 6.4819 6.4154 PRESSURE: 4168800 -125.976 -106.872 168.949 -106.874 356.623 273.537 168.948 273.536 173.403 GPRESSURE: 4168800 -54.0476 -67.2469 250.802 -12.6129 353.397 339.173 169.432 226.437 204.441 PRESSAVG: 4168800 -13.7143 20.7418 -36.2181 20.7419 -2.71921 -9.00636 -36.2182 -9.00637 -8.58936 GPRESSAVG: 4168800 -15.3897 20.8802 -37.1422 19.0865 -1.71203 -10.1365 -34.9285 -9.89205 -7.89977 TIMING: 4168800 CPU: 13247.5, 0.003195/step Wall: 13247.5, 0.003195/step, 0.73769 hours remaining, 237.640625 MB of memory in use. ENERGY: 4168800 3993.9550 20258.4974 14416.1615 276.7684 -203799.8533 2835.5508 0.0000 0.0000 51994.2221 -110024.6982 298.8115 -162018.9202 -109659.6193 297.8574 134.6833 167.9301 760851.2801 -8.3409 -8.3338 PRESSURE: 4169000 117.884 -143.673 -74.1553 -143.673 -329.536 -60.0871 -74.1564 -60.0881 -102.813 GPRESSURE: 4169000 118.883 -135.275 -125.191 -185.493 -246.888 -18.0066 -123.247 15.0271 -88.9718 PRESSAVG: 4169000 10.7854 -29.277 -20.8836 -29.2769 29.4798 -14.3608 -20.8835 -14.3608 -25.4005 GPRESSAVG: 4169000 11.8119 -28.6281 -20.9056 -27.5264 29.3123 -13.2018 -21.1334 -14.5952 -26.2315 TIMING: 4169000 CPU: 13248.1, 0.00314112/step Wall: 13248.1, 0.00314112/step, 0.725076 hours remaining, 237.640625 MB of memory in use. ENERGY: 4169000 3994.0992 20307.2282 14413.4998 254.7161 -203520.9119 2553.0465 0.0000 0.0000 52091.0347 -109907.2874 299.3679 -161998.3221 -109551.2418 298.3090 -104.8218 -72.3257 761859.4454 4.9549 4.9642 PRESSURE: 4169200 -169.484 -11.3178 -13.3825 -11.3182 -236.902 -282.308 -13.3827 -282.308 -451.004 GPRESSURE: 4169200 -196.932 82.4673 -59.1086 -77.069 -101.897 -284.479 90.5993 -185.665 -454.983 PRESSAVG: 4169200 26.6104 -19.6646 8.79029 -19.6646 -15.733 -62.3384 8.79031 -62.3384 23.7899 GPRESSAVG: 4169200 25.6926 -20.3247 9.1847 -19.8384 -16.0907 -62.4216 8.5002 -58.9357 24.6478 TIMING: 4169200 CPU: 13248.7, 0.00314893/step Wall: 13248.7, 0.00314893/step, 0.726702 hours remaining, 237.640625 MB of memory in use. ENERGY: 4169200 3991.3772 20623.2688 14356.6038 252.1852 -203256.1794 2248.9492 0.0000 0.0000 51863.1716 -109920.6236 298.0584 -161783.7952 -109560.5746 298.6454 -285.7968 -251.2704 761690.3547 11.5558 11.4166 PRESSURE: 4169400 -297.939 -64.6217 71.4253 -64.6203 28.6584 298.326 71.4261 298.327 -97.4412 GPRESSURE: 4169400 -183.029 -83.3673 97.3273 27.2369 59.6403 341.939 -86.3258 286.528 -175.519 PRESSAVG: 4169400 24.1704 -106.878 -53.094 -106.878 -13.9743 -0.335352 -53.0939 -0.335305 3.91763 GPRESSAVG: 4169400 25.0553 -106.071 -53.3364 -106.333 -13.3853 -1.1721 -54.125 -1.81339 3.15702 TIMING: 4169400 CPU: 13249.4, 0.00317246/step Wall: 13249.4, 0.00317246/step, 0.731957 hours remaining, 237.640625 MB of memory in use. ENERGY: 4169400 3964.4718 20385.0406 14465.2940 252.7285 -203189.6049 2227.7582 0.0000 0.0000 51931.4418 -109962.8701 298.4507 -161894.3119 -109597.9139 298.3296 -122.2407 -99.6361 761063.9871 4.7046 4.9423 PRESSURE: 4169600 -225.92 84.3779 54.7789 84.3779 -371.068 -63.1509 54.7782 -63.1504 111.405 GPRESSURE: 4169600 -186.943 28.0619 96.7253 2.87593 -343.562 -63.7466 92.7157 -79.8903 133.568 PRESSAVG: 4169600 17.8379 -59.0665 1.40358 -59.0665 -32.3398 45.0646 1.40357 45.0646 -7.05202 GPRESSAVG: 4169600 17.2053 -59.2129 1.51158 -59.8048 -32.6623 44.5257 1.83807 45.0819 -6.308 TIMING: 4169600 CPU: 13250, 0.00319452/step Wall: 13250, 0.00319452/step, 0.73687 hours remaining, 237.640625 MB of memory in use. ENERGY: 4169600 3980.5314 20412.4314 14355.4980 253.4629 -203048.7156 2389.1990 0.0000 0.0000 51690.9757 -109966.6172 297.0687 -161657.5929 -109601.5486 298.4709 -161.8609 -132.3127 763376.3404 -7.1846 -7.2550 PRESSURE: 4169800 -189.408 29.3615 -261.455 29.362 -92.3411 155.027 -261.455 155.026 362.851 GPRESSURE: 4169800 -76.5595 10.8299 -207.791 -65.9925 -74.7741 62.1006 -193.522 55.2484 325.943 PRESSAVG: 4169800 8.42883 -37.4911 -46.4767 -37.4912 2.52966 12.8309 -46.4767 12.8309 6.7871 GPRESSAVG: 4169800 9.2297 -36.0145 -46.9911 -37.8431 2.51843 13.5226 -47.5924 13.9741 5.90703 TIMING: 4169800 CPU: 13250.6, 0.00321378/step Wall: 13250.6, 0.00321378/step, 0.741133 hours remaining, 237.640625 MB of memory in use. ENERGY: 4169800 4001.7441 20406.0777 14399.5729 234.4619 -203693.2047 2621.8765 0.0000 0.0000 52013.9903 -110015.4813 298.9251 -162029.4716 -109647.2029 298.5005 27.0338 58.2030 759079.2542 5.9152 5.8851 PRESSURE: 4170000 56.2612 33.4729 31.8593 33.4736 19.7302 -63.7838 31.8581 -63.7847 195.18 GPRESSURE: 4170000 38.7895 26.1071 77.4017 -43.9696 32.4456 -87.5516 75.5145 -5.61826 287.464 PRESSAVG: 4170000 40.523 24.6161 -5.3962 24.6161 -47.7931 11.4782 -5.39622 11.4783 11.4155 GPRESSAVG: 4170000 40.8178 24.1558 -5.40299 25.5565 -48.0126 12.3643 -4.30713 9.07813 11.3531 TIMING: 4170000 CPU: 13251.3, 0.00316281/step Wall: 13251.3, 0.00316281/step, 0.729203 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4170000 4060.4807 20417.0340 14391.5144 239.6043 -203803.4368 2741.3056 0.0000 0.0000 51776.7174 -110176.7804 297.5615 -161953.4978 -109827.2859 298.1022 90.3905 119.5663 760570.5438 1.3818 1.3861 PRESSURE: 4170200 46.6956 73.5893 79.7794 73.5896 264.549 -117.014 79.779 -117.014 -621.711 GPRESSURE: 4170200 30.9134 43.2093 147.673 5.28434 281.807 -114.041 10.7309 -74.0111 -532.872 PRESSAVG: 4170200 11.8838 -9.91509 36.0995 -9.91503 13.5905 -5.52331 36.0996 -5.52325 -16.0538 GPRESSAVG: 4170200 11.3171 -10.7838 37.2362 -10.6099 13.9596 -5.28093 34.6181 -4.90922 -15.9357 TIMING: 4170200 CPU: 13251.9, 0.00315406/step Wall: 13251.9, 0.00315407/step, 0.727012 hours remaining, 237.640625 MB of memory in use. ENERGY: 4170200 3966.1425 20320.0152 14341.6429 245.8304 -203251.1411 2531.3252 0.0000 0.0000 51834.7950 -110011.3899 297.8953 -161846.1849 -109640.4172 297.7017 -103.4890 -73.3837 762440.1187 3.1402 3.1137 PRESSURE: 4170400 123.618 48.6552 -17.5331 48.655 123.192 -100.663 -17.533 -100.662 34.9943 GPRESSURE: 4170400 191.131 -102.076 -118.307 -10.0642 127.116 -52.6442 -86.0328 -237.385 51.6009 PRESSAVG: 4170400 11.8801 -25.8699 -30.7506 -25.87 -53.227 -28.4529 -30.7505 -28.4529 18.3531 GPRESSAVG: 4170400 12.3387 -26.5975 -32.3327 -27.5275 -53.3612 -30.5883 -31.7489 -28.3128 17.5874 TIMING: 4170400 CPU: 13252.5, 0.00317669/step Wall: 13252.5, 0.00317669/step, 0.73205 hours remaining, 237.640625 MB of memory in use. ENERGY: 4170400 3938.3786 20378.4561 14383.6530 242.8280 -203681.6375 2803.9219 0.0000 0.0000 51932.1747 -110002.2252 298.4549 -161934.3999 -109636.8707 298.0211 93.9348 123.2826 760348.4094 -7.6646 -7.8117 PRESSURE: 4170600 16.8547 156.865 -77.5405 156.865 -76.6987 66.3674 -77.5406 66.3679 80.1395 GPRESSURE: 4170600 -64.4542 178.82 -62.3083 154.361 70.2581 85.4041 5.76982 70.5504 111.569 PRESSAVG: 4170600 2.52561 -59.1788 11.7093 -59.1788 32.2521 5.96512 11.7093 5.9651 25.582 GPRESSAVG: 4170600 1.0034 -57.6676 11.5254 -57.9081 31.7321 8.45362 14.0635 6.07699 27.2409 TIMING: 4170600 CPU: 13253.2, 0.00317582/step Wall: 13253.2, 0.00317582/step, 0.731673 hours remaining, 237.640625 MB of memory in use. ENERGY: 4170600 4067.1942 20364.4094 14398.1299 268.2440 -203147.8650 2409.4835 0.0000 0.0000 51586.4966 -110053.9075 296.4683 -161640.4041 -109690.6623 297.8886 6.7652 39.1242 762017.7288 20.1199 19.9921 PRESSURE: 4170800 380.986 -4.40175 56.1592 -4.40249 375.684 141.33 56.1584 141.329 167.836 GPRESSURE: 4170800 349.434 -110.968 40.2711 53.6911 512.586 45.1669 -11.1044 74.0171 138.798 PRESSAVG: 4170800 -13.4781 -59.4235 -48.3279 -59.4236 6.05198 -6.80925 -48.3279 -6.80922 15.9922 GPRESSAVG: 4170800 -14.1706 -60.8713 -48.6242 -58.0142 6.81846 -8.29598 -47.8482 -4.78336 15.342 TIMING: 4170800 CPU: 13253.8, 0.00315436/step Wall: 13253.8, 0.00315436/step, 0.726555 hours remaining, 237.640625 MB of memory in use. ENERGY: 4170800 3955.5047 20294.5688 14381.5556 238.7216 -203710.1655 2782.3664 0.0000 0.0000 51793.5255 -110263.9227 297.6581 -162057.4482 -109903.3969 297.6103 308.1686 333.6056 760193.3923 2.8554 2.6633 PRESSURE: 4171000 -154.117 -236.633 76.0717 -236.632 -103.019 42.0687 76.0726 42.0694 -231.602 GPRESSURE: 4171000 -184.863 -154.095 108.987 -303.214 -15.781 145.383 141.789 138.643 -195.185 PRESSAVG: 4171000 -56.788 -27.7324 9.65968 -27.7324 28.8225 21.5597 9.65971 21.5597 10.4674 GPRESSAVG: 4171000 -56.3757 -26.6174 11.0512 -28.7709 28.0708 21.571 9.00677 21.1082 10.9301 TIMING: 4171000 CPU: 13254.4, 0.00316516/step Wall: 13254.4, 0.00316516/step, 0.728867 hours remaining, 237.640625 MB of memory in use. ENERGY: 4171000 3944.3567 20333.0712 14365.7229 254.0815 -203851.7339 2854.8239 0.0000 0.0000 51819.5548 -110280.1228 297.8077 -162099.6776 -109925.8199 297.7543 -162.9124 -131.9432 761152.4904 -5.8327 -5.7916 PRESSURE: 4171200 -148.912 -30.0864 158.033 -30.0863 -185.819 -214.463 158.032 -214.463 35.9791 GPRESSURE: 4171200 -130.925 26.2861 101.028 -98.9417 -86.8222 -101.016 126.556 -276.822 0.97698 PRESSAVG: 4171200 -48.9797 -34.5388 24.507 -34.5388 56.5049 6.18702 24.507 6.18702 13.1735 GPRESSAVG: 4171200 -47.7406 -33.4039 23.0733 -33.8334 57.5222 5.84388 24.2325 5.80256 11.0905 TIMING: 4171200 CPU: 13255.1, 0.00316237/step Wall: 13255.1, 0.00316237/step, 0.728049 hours remaining, 237.640625 MB of memory in use. ENERGY: 4171200 3995.5503 20371.9649 14409.4470 275.4001 -203272.5218 2491.3398 0.0000 0.0000 51639.3095 -110089.5102 296.7718 -161728.8197 -109734.5864 297.7954 -99.5842 -72.2566 760850.8665 6.8995 6.9574 PRESSURE: 4171400 244.83 -127.163 14.0378 -127.164 -61.346 47.6092 14.0373 47.6083 94.7955 GPRESSURE: 4171400 279.332 -136.322 52.9876 -94.2413 -65.5077 95.3273 3.54559 -58.7049 159.656 PRESSAVG: 4171400 0.0659493 20.2693 33.1326 20.2693 -33.5656 -5.79165 33.1326 -5.79165 -23.714 GPRESSAVG: 4171400 -0.883083 19.798 34.3601 19.4242 -33.4779 -4.72896 33.5831 -6.08317 -22.6542 TIMING: 4171400 CPU: 13255.7, 0.00315159/step Wall: 13255.7, 0.00315158/step, 0.72539 hours remaining, 237.640625 MB of memory in use. ENERGY: 4171400 3949.1512 20277.6954 14475.5841 258.7721 -203762.1120 2800.4814 0.0000 0.0000 51877.7283 -110122.6995 298.1420 -162000.4278 -109767.2298 297.6338 92.7599 124.4933 761184.7605 -19.0712 -19.0050 PRESSURE: 4171600 -252.151 -105.477 254.857 -105.477 -58.6374 46.8742 254.856 46.8744 -44.3948 GPRESSURE: 4171600 -133.87 64.1245 190.981 -104.805 -45.8752 36.9257 234.539 142.913 -61.9762 PRESSAVG: 4171600 11.7851 50.7498 33.1867 50.7498 -62.8424 -4.12161 33.1867 -4.12157 -29.1148 GPRESSAVG: 4171600 12.733 51.1689 32.3 51.1576 -63.2948 -4.46641 32.8923 -4.71088 -29.2607 TIMING: 4171600 CPU: 13256.3, 0.00316194/step Wall: 13256.3, 0.00316194/step, 0.727598 hours remaining, 237.640625 MB of memory in use. ENERGY: 4171600 3999.5611 20327.9472 14378.5906 248.7089 -203442.7289 2640.5525 0.0000 0.0000 51772.5783 -110074.7904 297.5377 -161847.3687 -109709.0406 297.9808 -118.3943 -80.5738 759469.1551 -26.7240 -26.6075 PRESSURE: 4171800 -201.272 -39.9973 -183.461 -39.9967 -299.51 -105.279 -183.461 -105.279 -22.098 GPRESSURE: 4171800 -259.765 -175.118 -200.125 -155.773 -224.489 -126.502 -39.2341 7.07214 53.9855 PRESSAVG: 4171800 -51.0331 -8.79079 17.6447 -8.79079 23.0663 -0.973683 17.6447 -0.973697 -22.6573 GPRESSAVG: 4171800 -51.3193 -9.11085 18.5537 -8.81876 22.7338 0.606226 17.8542 -1.86522 -22.1356 TIMING: 4171800 CPU: 13257, 0.00316065/step Wall: 13257, 0.00316065/step, 0.727126 hours remaining, 237.640625 MB of memory in use. ENERGY: 4171800 4021.2638 20428.9335 14361.7504 250.5761 -203059.1671 2256.8237 0.0000 0.0000 51807.7809 -109932.0386 297.7400 -161739.8195 -109571.5748 298.0247 -174.2934 -143.4227 761180.5173 -16.8747 -16.9071 PRESSURE: 4172000 81.8511 -324.584 24.1206 -324.583 -33.8641 -69.6091 24.1216 -69.6076 -216.519 GPRESSURE: 4172000 16.9638 -320.947 3.7301 -412.384 60.1307 -56.2422 66.5726 -28.7068 -180.134 PRESSAVG: 4172000 77.2662 1.03944 40.7849 1.0394 -13.4858 23.5111 40.7849 23.5111 -9.00252 GPRESSAVG: 4172000 76.6216 1.23567 39.6986 2.81875 -13.3353 22.523 42.5735 24.7379 -8.04213 TIMING: 4172000 CPU: 13257.6, 0.00318253/step Wall: 13257.6, 0.00318253/step, 0.731981 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4172000 4016.4350 20439.7643 14408.4585 247.3161 -203336.7177 2550.4316 0.0000 0.0000 51916.4143 -109757.8979 298.3643 -161674.3122 -109403.7030 298.4991 -56.1772 -34.3465 760014.3669 18.2593 18.4147 PRESSURE: 4172200 -92.1685 15.554 225.577 15.5539 -152.167 83.8709 225.578 83.8706 -185.923 GPRESSURE: 4172200 -28.7045 5.03907 321.918 52.4277 -194.769 29.7343 261.639 101.459 -135.73 PRESSAVG: 4172200 52.325 -57.7115 80.8256 -57.7114 -54.9799 26.4655 80.8256 26.4655 16.9133 GPRESSAVG: 4172200 52.7703 -56.5803 80.4055 -61.1157 -55.9723 26.3328 78.94 27.9148 17.6292 TIMING: 4172200 CPU: 13258.2, 0.00317299/step Wall: 13258.2, 0.00317299/step, 0.729611 hours remaining, 237.640625 MB of memory in use. ENERGY: 4172200 4099.4267 20349.9617 14390.8059 247.1462 -203308.5840 2535.6940 0.0000 0.0000 51772.8179 -109912.7317 297.5391 -161685.5496 -109553.0409 297.6925 -143.4195 -119.7346 761437.4496 4.7528 4.8091 LDB: ============= START OF LOAD BALANCING ============== 13270.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13270.6 LDB: =============== DONE WITH MIGRATION ================ 13270.6 LDB: ============= START OF LOAD BALANCING ============== 13271 LDB: Largest compute 7075 load 0.034550 is 17.6% of average load 0.196168 LDB: Average compute 0.004385 is 2.2% of average load 0.196168 LDB: TIME 13271 LOAD: AVG 0.196168 MAX 0.217339 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 13271 LOAD: AVG 0.196168 MAX 0.217339 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: TIME 13271 LOAD: AVG 0.196168 MAX 0.217339 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: ============== END OF LOAD BALANCING =============== 13271 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13271 PRESSURE: 4172400 166.441 -8.08746 -7.81751 -8.08678 61.7583 63.1545 -7.81715 63.1554 -40.1474 GPRESSURE: 4172400 172.516 -55.4458 7.58043 106.071 140.994 149.743 -29.7356 -5.19053 -11.3746 PRESSAVG: 4172400 -32.8329 -46.3064 57.5586 -46.3064 -16.8848 9.24707 57.5586 9.2471 1.70821 GPRESSAVG: 4172400 -33.1228 -46.4071 58.6872 -43.0651 -15.3862 8.51322 57.1776 5.78883 0.274754 TIMING: 4172400 CPU: 13258.9, 0.00324457/step Wall: 13258.9, 0.00324457/step, 0.74589 hours remaining, 238.929688 MB of memory in use. ENERGY: 4172400 3925.5299 20367.9538 14436.1752 227.6773 -203157.1626 2635.0160 0.0000 0.0000 51782.4683 -109782.3420 297.5946 -161564.8104 -109428.0355 298.4902 62.6840 100.7116 760397.4451 -16.0032 -16.0781 PRESSURE: 4172600 -292.394 -45.2135 134.973 -45.2127 -65.5294 278.987 134.974 278.987 -544.141 GPRESSURE: 4172600 -275.452 25.8965 99.201 -77.8133 -20.6874 198.228 11.5542 259.448 -503.416 PRESSAVG: 4172600 30.7619 -35.6735 -11.6323 -35.6735 -29.8345 79.1866 -11.6323 79.1865 8.41357 GPRESSAVG: 4172600 30.5513 -38.2237 -11.6954 -35.4831 -30.6834 79.2802 -11.1364 80.9714 9.76102 TIMING: 4172600 CPU: 13259.5, 0.0033203/step Wall: 13259.5, 0.0033203/step, 0.763115 hours remaining, 238.929688 MB of memory in use. ENERGY: 4172600 4026.5168 20446.3635 14401.0392 237.6311 -203246.3350 2572.4570 0.0000 0.0000 51843.8725 -109718.4548 297.9474 -161562.3273 -109341.1237 298.7548 -300.6883 -266.5186 762023.4416 3.1137 3.2096 PRESSURE: 4172800 219.009 54.9756 89.6926 54.9758 206.243 -273.103 89.6926 -273.103 505.983 GPRESSURE: 4172800 278.361 229.287 128.692 -3.53119 273.305 -193.003 110.899 -165.475 446.232 PRESSAVG: 4172800 -14.3653 0.59462 13.4676 0.594594 7.66276 21.0387 13.4676 21.0386 -19.0474 GPRESSAVG: 4172800 -13.8356 2.45483 14.3726 -1.46608 7.5141 20.6098 13.3851 22.0846 -19.9274 TIMING: 4172800 CPU: 13260.2, 0.00318225/step Wall: 13260.2, 0.00318225/step, 0.73121 hours remaining, 238.929688 MB of memory in use. ENERGY: 4172800 4006.9999 20614.8336 14370.1661 257.7638 -203705.7660 2949.5820 0.0000 0.0000 51845.1150 -109661.3057 297.9546 -161506.4207 -109305.8549 298.5630 310.4115 332.6328 761773.4707 -8.5833 -8.7496 PRESSURE: 4173000 -161.443 18.9631 -33.7767 18.9628 15.4911 23.3376 -33.7773 23.3377 -52.6897 GPRESSURE: 4173000 -158.727 -65.6039 67.7409 -5.67939 57.8803 57.192 -135.518 -6.95811 0.212289 PRESSAVG: 4173000 -11.2735 -76.207 23.1479 -76.2071 6.75881 12.8797 23.1479 12.8797 -4.53102 GPRESSAVG: 4173000 -11.243 -78.2868 21.7693 -74.4923 8.12403 14.8269 22.9602 11.1242 -5.7902 TIMING: 4173000 CPU: 13260.8, 0.00317203/step Wall: 13260.8, 0.00317203/step, 0.728687 hours remaining, 238.929688 MB of memory in use. ENERGY: 4173000 4035.5038 20582.3844 14455.0874 231.9808 -203516.2877 2700.6544 0.0000 0.0000 51841.3253 -109669.3516 297.9328 -161510.6770 -109316.1052 298.9036 -66.2137 -33.5449 762216.1089 -3.0152 -2.9697 PRESSURE: 4173200 30.8135 115.489 -90.1653 115.489 1.95421 -44.4897 -90.165 -44.4891 300.596 GPRESSURE: 4173200 59.3094 -3.32835 -100.459 116.094 72.6345 -91.0358 -85.0967 -140.855 292.246 PRESSAVG: 4173200 15.3918 -74.1447 19.7956 -74.1446 -35.2412 20.4518 19.7955 20.4519 -14.4309 GPRESSAVG: 4173200 14.4621 -73.6215 21.097 -76.0361 -35.7745 19.7554 18.5994 21.065 -13.3331 TIMING: 4173200 CPU: 13261.5, 0.00325977/step Wall: 13261.5, 0.00325977/step, 0.74866 hours remaining, 238.929688 MB of memory in use. ENERGY: 4173200 3929.7619 20427.5521 14350.9467 235.3318 -203517.1541 2512.1104 0.0000 0.0000 52233.6415 -109827.8098 300.1875 -162061.4513 -109455.1317 299.2504 111.1214 141.3966 759809.2391 -11.4268 -11.5485 PRESSURE: 4173400 -38.7413 -123.846 -16.3973 -123.846 -20.5495 -199.793 -16.398 -199.793 -38.7979 GPRESSURE: 4173400 90.2225 -70.5488 -108.305 -165.53 -74.6167 -250.747 11.0677 -134.696 -6.78465 PRESSAVG: 4173400 -32.2462 7.64103 26.8025 7.64106 62.7395 12.0341 26.8025 12.0342 5.83325 GPRESSAVG: 4173400 -30.8047 8.31016 24.8653 9.31924 61.6266 12.0406 29.0786 11.9631 6.08177 TIMING: 4173400 CPU: 13262.1, 0.00316592/step Wall: 13262.1, 0.00316592/step, 0.72693 hours remaining, 238.929688 MB of memory in use. ENERGY: 4173400 3908.1057 20391.5923 14361.0255 232.4208 -203523.4651 2653.7295 0.0000 0.0000 51882.4857 -110094.1056 298.1694 -161976.5913 -109729.6920 298.5136 -32.6962 2.9404 760903.8936 12.1088 12.3012 PRESSURE: 4173600 -24.5425 84.365 39.8251 84.3648 -206.22 36.779 39.8254 36.7785 -145.909 GPRESSURE: 4173600 -78.4624 -11.5735 -76.094 100.284 -142.319 16.7861 7.26795 -73.7456 -67.7544 PRESSAVG: 4173600 -24.1595 -31.0741 -15.1909 -31.0741 -12.9613 31.1758 -15.1908 31.1758 9.57667 GPRESSAVG: 4173600 -25.2263 -30.7491 -14.0362 -31.7619 -11.8519 30.2542 -14.3631 31.9836 9.68292 TIMING: 4173600 CPU: 13262.7, 0.00319882/step Wall: 13262.7, 0.00319881/step, 0.734306 hours remaining, 238.929688 MB of memory in use. ENERGY: 4173600 3969.9036 20450.4151 14336.3499 253.7016 -203153.3969 2439.4184 0.0000 0.0000 51869.6226 -109833.9857 298.0954 -161703.6083 -109471.4122 297.8029 -125.5572 -96.1784 760353.0016 -9.1814 -9.1318 PRESSURE: 4173800 4.44341 -89.5877 111.462 -89.5873 217.931 -16.7508 111.461 -16.7509 231.208 GPRESSURE: 4173800 70.1202 -66.263 51.4042 -87.4329 274.707 -37.8937 118.03 33.0159 202.695 PRESSAVG: 4173800 16.7623 -28.3159 52.7384 -28.3159 -13.2226 26.3682 52.7383 26.3682 11.9605 GPRESSAVG: 4173800 18.455 -29.218 52.3151 -27.7568 -13.846 25.5494 51.5157 26.597 10.3273 TIMING: 4173800 CPU: 13263.4, 0.00317818/step Wall: 13263.4, 0.00317818/step, 0.729393 hours remaining, 238.929688 MB of memory in use. ENERGY: 4173800 3934.9011 20654.1042 14277.3580 260.3337 -203432.9013 2508.5863 0.0000 0.0000 52050.7566 -109746.8613 299.1364 -161797.6180 -109396.3966 298.1549 151.1943 182.5073 759281.8329 5.1667 4.9788 PRESSURE: 4174000 -92.0882 11.0377 -2.18739 11.0372 102.233 109.914 -2.18824 109.913 -202.213 GPRESSURE: 4174000 -29.5127 31.4502 -11.4086 96.4956 172.473 164.599 -49.6373 118.518 -257.432 PRESSAVG: 4174000 38.4429 -74.4105 17.9794 -74.4105 -65.9393 9.61491 17.9794 9.61494 8.0497 GPRESSAVG: 4174000 37.7253 -76.5308 19.6562 -73.9473 -65.2092 11.8933 17.8614 10.3226 8.12205 TIMING: 4174000 CPU: 13264, 0.00318239/step Wall: 13264, 0.00318239/step, 0.730181 hours remaining, 238.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4174000 3916.5397 20388.7324 14379.4102 230.6757 -203429.3811 2586.4028 0.0000 0.0000 52085.2543 -109842.3660 299.3347 -161927.6203 -109479.2018 298.1894 -64.0225 -38.1572 762160.9642 -6.4822 -6.4540 PRESSURE: 4174200 99.2797 -59.1361 -106.514 -59.1374 14.9968 -40.279 -106.514 -40.2791 -165.93 GPRESSURE: 4174200 139.083 -94.5728 -106.638 -75.4121 -1.33527 -22.8043 -175.298 16.3306 -121.29 PRESSAVG: 4174200 -10.8711 -46.5395 9.20083 -46.5395 11.9997 -11.8038 9.20084 -11.8038 9.9263 GPRESSAVG: 4174200 -11.4299 -43.4106 9.53861 -46.776 11.3899 -12.6306 8.52936 -13.0255 10.4924 TIMING: 4174200 CPU: 13264.7, 0.00316644/step Wall: 13264.7, 0.00316644/step, 0.726346 hours remaining, 238.929688 MB of memory in use. ENERGY: 4174200 4015.2361 20444.5093 14383.0701 239.8731 -203763.9294 2816.3057 0.0000 0.0000 52132.7977 -109732.1374 299.6079 -161864.9351 -109364.3423 298.7985 -17.2180 5.4858 761685.1152 3.6850 3.4841 PRESSURE: 4174400 -231.624 -6.80578 53.5349 -6.80672 433.41 -15.4751 53.5348 -15.4765 72.8745 GPRESSURE: 4174400 -262.966 -34.5598 -34.4125 -72.8314 433.186 -102.231 5.66298 102.98 190.849 PRESSAVG: 4174400 -31.7297 3.08977 -11.2001 3.08978 18.3882 -15.4518 -11.2002 -15.4518 -0.677763 GPRESSAVG: 4174400 -32.1935 0.675185 -12.1375 3.22337 19.578 -14.7583 -10.6172 -16.5148 -1.46724 TIMING: 4174400 CPU: 13265.3, 0.00314624/step Wall: 13265.3, 0.00314624/step, 0.721537 hours remaining, 238.929688 MB of memory in use. ENERGY: 4174400 3942.8626 20500.6202 14286.3741 252.8129 -203292.7086 2544.8347 0.0000 0.0000 51839.9006 -109925.3035 297.9246 -161765.2042 -109568.3091 298.5928 91.5534 120.3563 760174.2660 -4.6731 -4.6942 PRESSURE: 4174600 -217.291 256.275 -84.5982 256.276 -326.646 -107.374 -84.5974 -107.374 -199.823 GPRESSURE: 4174600 -150.31 200.934 -128.178 97.6373 -280.002 -98.1577 -84.2276 -121.351 -216.397 PRESSAVG: 4174600 39.7691 -53.4835 -83.544 -53.4835 -45.5759 -15.4414 -83.544 -15.4414 -9.88571 GPRESSAVG: 4174600 41.1839 -52.9464 -83.222 -52.6582 -46.3465 -16.9063 -85.5936 -13.3692 -10.6674 TIMING: 4174600 CPU: 13265.9, 0.00313528/step Wall: 13265.9, 0.00313528/step, 0.718851 hours remaining, 238.929688 MB of memory in use. ENERGY: 4174600 3918.8948 20479.2311 14440.1620 233.6822 -203079.1333 2125.4555 0.0000 0.0000 52119.6681 -109762.0395 299.5324 -161881.7076 -109398.9019 298.5124 -247.9200 -215.5697 761195.2362 -5.2308 -5.2766 PRESSURE: 4174800 -436.256 -141.698 126.099 -141.698 -81.9429 -304.551 126.099 -304.552 -336.84 GPRESSURE: 4174800 -373.046 -105.029 72.7533 -130.399 -83.0166 -235.035 68.5847 -333.162 -321.378 PRESSAVG: 4174800 18.9648 -68.1596 27.683 -68.1596 -30.2312 -7.97517 27.6831 -7.97518 -8.55554 GPRESSAVG: 4174800 17.9381 -69.0045 26.5325 -70.9174 -30.2714 -6.25535 28.9477 -7.85182 -7.56346 TIMING: 4174800 CPU: 13266.5, 0.00317894/step Wall: 13266.5, 0.00317894/step, 0.728685 hours remaining, 238.929688 MB of memory in use. ENERGY: 4174800 4012.3167 20691.6383 14370.7332 230.4339 -203309.3293 2526.3290 0.0000 0.0000 51725.2246 -109752.6535 297.2656 -161477.8782 -109391.7074 298.9606 -285.0127 -259.1468 759722.6273 -6.6073 -6.6322 PRESSURE: 4175000 127.762 -165.678 -3.54258 -165.678 -32.3385 8.61227 -3.54202 8.61249 -79.9357 GPRESSURE: 4175000 152.439 -170.634 -13.1967 -179.255 12.0102 111.608 -53.8837 -62.9765 -68.4268 PRESSAVG: 4175000 -52.2859 -64.5799 -36.7093 -64.5798 49.6011 -37.8582 -36.7094 -37.8582 22.1707 GPRESSAVG: 4175000 -51.5463 -63.78 -35.4008 -63.9851 49.2543 -39.3726 -35.454 -38.6187 21.7518 TIMING: 4175000 CPU: 13267.2, 0.00317865/step Wall: 13267.2, 0.00317865/step, 0.72844 hours remaining, 238.929688 MB of memory in use. ENERGY: 4175000 4002.4517 20426.4439 14338.7823 252.1913 -203377.9592 2346.3392 0.0000 0.0000 52269.6431 -109742.1076 300.3944 -162011.7507 -109374.1909 298.9234 5.1627 32.0076 758979.9033 6.4953 6.4866 PRESSURE: 4175200 94.4157 -110.556 106.304 -110.556 -148.913 268.848 106.304 268.848 -226.429 GPRESSURE: 4175200 80.9643 -61.5464 85.5592 -104.914 -128.571 217.617 176.125 278.273 -148.188 PRESSAVG: 4175200 49.8207 -76.0317 -3.33149 -76.0317 -67.4681 72.2687 -3.33147 72.2686 -1.92744 GPRESSAVG: 4175200 49.8521 -76.8872 -3.72494 -75.0266 -67.4319 72.6396 -3.98082 70.6623 -2.39142 TIMING: 4175200 CPU: 13267.8, 0.00318952/step Wall: 13267.8, 0.00318952/step, 0.730755 hours remaining, 238.929688 MB of memory in use. ENERGY: 4175200 4034.8123 20577.0976 14385.7418 248.3280 -203689.2892 2749.6672 0.0000 0.0000 51989.9223 -109703.7200 298.7868 -161693.6423 -109334.0126 299.2614 -93.6420 -65.2649 762282.0132 -6.5250 -6.6571 PRESSURE: 4175400 -30.981 84.1122 90.0955 84.1121 39.4929 -25.0847 90.0958 -25.085 -59.0014 GPRESSURE: 4175400 27.8523 117.058 144.375 95.2204 4.32647 14.6844 56.8346 -28.898 -5.85159 PRESSAVG: 4175400 33.4957 -14.4237 3.54391 -14.4237 -22.7043 -7.53722 3.54393 -7.5372 10.6082 GPRESSAVG: 4175400 33.4494 -12.7425 3.65443 -13.4447 -23.0674 -8.06959 4.19029 -6.24223 10.5494 TIMING: 4175400 CPU: 13268.5, 0.00317967/step Wall: 13268.5, 0.00317967/step, 0.728322 hours remaining, 238.929688 MB of memory in use. ENERGY: 4175400 3964.4011 20459.7787 14432.8067 252.8175 -203911.9557 2737.6535 0.0000 0.0000 52248.9739 -109815.5243 300.2756 -162064.4982 -109450.0417 299.1946 -16.8298 8.7757 761047.3731 7.1332 6.9771 PRESSURE: 4175600 -196.386 8.6395 42.0126 8.639 -55.4062 -35.7408 42.0128 -35.7412 -319.824 GPRESSURE: 4175600 -49.4787 -8.81863 78.5603 -150.21 -111.571 -87.4485 -68.959 31.3494 -320.563 PRESSAVG: 4175600 -4.43149 -71.181 -48.3097 -71.181 -3.39824 -14.0073 -48.3098 -14.0074 6.02837 GPRESSAVG: 4175600 -4.75278 -72.1314 -49.7717 -73.1164 -4.0929 -14.1818 -49.4663 -12.7166 7.36679 TIMING: 4175600 CPU: 13269.1, 0.00318021/step Wall: 13269.1, 0.00318021/step, 0.728268 hours remaining, 238.929688 MB of memory in use. ENERGY: 4175600 3963.6323 20579.3935 14416.9204 268.9351 -203332.1801 2371.5095 0.0000 0.0000 51945.3039 -109786.4854 298.5304 -161731.7893 -109417.7325 298.6145 -190.5387 -160.5378 760663.3463 -0.6005 -0.4930 PRESSURE: 4175800 -57.1663 -129.927 -311.266 -129.927 157.811 -38.2972 -311.266 -38.2974 -42.2005 GPRESSURE: 4175800 -44.9702 -134.959 -331.024 -67.666 202.728 -1.64056 -281.453 -98.8789 -29.3105 PRESSAVG: 4175800 23.7679 -23.4161 -1.08519 -23.416 12.6299 -39.6799 -1.08517 -39.6799 -7.05569 GPRESSAVG: 4175800 23.502 -23.662 0.832129 -21.4225 14.1492 -38.9875 -0.831424 -39.7144 -7.93402 TIMING: 4175800 CPU: 13269.7, 0.00313823/step Wall: 13269.7, 0.00313823/step, 0.718479 hours remaining, 238.929688 MB of memory in use. ENERGY: 4175800 3937.7278 20537.6287 14416.0405 254.1235 -203379.9251 2254.2261 0.0000 0.0000 51914.6885 -110065.4900 298.3544 -161980.1785 -109709.2431 298.2195 19.4815 42.8159 761199.1547 9.7807 9.9057 PRESSURE: 4176000 189.541 -74.1145 24.4027 -74.1148 278.72 -273.791 24.4024 -273.791 233.404 GPRESSURE: 4176000 228.875 29.7846 65.0326 -39.4653 313.801 -310.772 97.1644 -244.504 245.972 PRESSAVG: 4176000 16.9708 -6.16104 -15.5385 -6.16105 24.9969 -36.353 -15.5385 -36.353 -22.0344 GPRESSAVG: 4176000 16.6911 -6.56564 -17.0211 -8.02282 24.5208 -38.2323 -15.7261 -35.3701 -21.7624 TIMING: 4176000 CPU: 13270.3, 0.00313449/step Wall: 13270.3, 0.00313449/step, 0.717449 hours remaining, 238.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4176000 3905.6423 20592.6654 14442.9057 244.9495 -203812.1079 2630.4006 0.0000 0.0000 52101.9847 -109893.5598 299.4308 -161995.5445 -109541.5093 298.3201 233.8882 262.8826 759051.1627 6.6444 6.4831 PRESSURE: 4176200 -522.506 -9.72405 89.1189 -9.72319 -102.742 187.752 89.1196 187.752 -96.7254 GPRESSURE: 4176200 -498.231 -110.053 51.6951 26.4299 -42.4434 285.388 128.459 230.331 -104.219 PRESSAVG: 4176200 -25.8806 7.39557 -26.3074 7.39552 17.136 -34.3124 -26.3074 -34.3125 15.2185 GPRESSAVG: 4176200 -26.2742 8.57132 -25.66 9.11979 17.0857 -32.4271 -26.4969 -35.2842 15.5815 TIMING: 4176200 CPU: 13271, 0.00313604/step Wall: 13271, 0.00313604/step, 0.71763 hours remaining, 238.929688 MB of memory in use. ENERGY: 4176200 4037.0123 20343.5400 14411.1582 234.1234 -203090.6455 2210.1773 0.0000 0.0000 51879.8811 -109974.7532 298.1544 -161854.6343 -109615.4403 298.1951 -240.6576 -214.9644 762394.6700 2.1580 2.1310 LDB: ============= START OF LOAD BALANCING ============== 13283.4 LDB: ============== END OF LOAD BALANCING =============== 13283.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13283.4 LDB: ============= START OF LOAD BALANCING ============== 13283.7 LDB: Largest compute 7075 load 0.035994 is 18.4% of average load 0.196044 LDB: Average compute 0.004406 is 2.2% of average load 0.196044 LDB: TIME 13283.7 LOAD: AVG 0.196044 MAX 0.218665 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.445 MB LDB: TIME 13283.7 LOAD: AVG 0.196044 MAX 0.218665 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.449 MB LDB: TIME 13283.7 LOAD: AVG 0.196044 MAX 0.218665 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.449 MB LDB: ============== END OF LOAD BALANCING =============== 13283.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13283.7 PRESSURE: 4176400 -83.5337 47.5522 -36.0042 47.5521 50.3502 -93.466 -36.0044 -93.466 28.3583 GPRESSURE: 4176400 10.2079 98.7049 -15.202 49.556 69.3511 -92.0132 -153.651 -92.4866 -2.01545 PRESSAVG: 4176400 26.6867 45.252 -19.291 45.252 -12.4641 3.2651 -19.291 3.26516 9.56575 GPRESSAVG: 4176400 26.6271 44.3724 -21.0967 44.5255 -12.3117 5.21992 -19.859 2.27737 9.10987 TIMING: 4176400 CPU: 13271.6, 0.00323406/step Wall: 13271.6, 0.00323406/step, 0.739881 hours remaining, 239.125000 MB of memory in use. ENERGY: 4176400 4039.5118 20561.2198 14358.9997 239.2234 -203874.1757 2910.1381 0.0000 0.0000 51828.7822 -109936.3006 297.8607 -161765.0828 -109577.8903 298.4196 -1.6084 25.8478 760899.5489 7.9294 7.8084 PRESSURE: 4176600 9.26631 331.259 44.9121 331.259 98.7282 100.285 44.9123 100.285 -241.951 GPRESSURE: 4176600 37.4925 232.496 50.3952 258.94 116.322 57.2815 -25.7743 91.5336 -211.363 PRESSAVG: 4176600 1.8527 23.4254 -39.8384 23.4254 -7.06135 -21.4936 -39.8384 -21.4936 15.9551 GPRESSAVG: 4176600 2.42361 20.9411 -38.352 24.3508 -7.73287 -22.7002 -38.9732 -22.467 16.5114 TIMING: 4176600 CPU: 13272.2, 0.00315309/step Wall: 13272.2, 0.00315309/step, 0.721183 hours remaining, 239.328125 MB of memory in use. ENERGY: 4176600 4033.7108 20593.3696 14389.9594 248.1887 -203626.6369 2785.7693 0.0000 0.0000 51833.8282 -109741.8109 297.8897 -161575.6391 -109380.6531 298.1883 -44.6522 -19.1826 760605.6516 3.5822 3.7340 PRESSURE: 4176800 229.952 -32.4672 -126.887 -32.4667 -75.1033 -103.044 -126.887 -103.044 206.358 GPRESSURE: 4176800 244.925 -46.194 -38.3394 -64.9343 35.6631 -108.988 -101.594 -49.6106 170.592 PRESSAVG: 4176800 16.2626 -48.5033 -35.9795 -48.5033 -6.66848 2.44893 -35.9795 2.44887 12.9107 GPRESSAVG: 4176800 15.921 -45.0554 -36.1508 -49.9628 -6.50885 1.26191 -35.6866 4.50253 13.1277 TIMING: 4176800 CPU: 13272.9, 0.00314959/step Wall: 13272.9, 0.00314959/step, 0.720207 hours remaining, 239.328125 MB of memory in use. ENERGY: 4176800 3944.1420 20524.8998 14391.5646 256.8990 -203411.0892 2646.1973 0.0000 0.0000 52025.7767 -109621.6097 298.9929 -161647.3865 -109257.6011 298.7554 120.4019 150.3934 760365.7461 7.5016 7.5133 PRESSURE: 4177000 47.5472 -82.282 197.849 -82.2821 -430.044 -117.399 197.85 -117.4 -307.939 GPRESSURE: 4177000 91.1731 -14.0689 125.663 -72.2549 -405.969 -68.3385 205.973 -68.4026 -285.138 PRESSAVG: 4177000 35.7785 10.6989 12.2977 10.6989 8.73952 2.30855 12.2977 2.30865 0.666086 GPRESSAVG: 4177000 36.8713 7.83427 11.6395 11.6924 8.72267 2.21654 12.619 0.954256 -0.731621 TIMING: 4177000 CPU: 13273.5, 0.00319108/step Wall: 13273.5, 0.00319108/step, 0.729517 hours remaining, 239.328125 MB of memory in use. ENERGY: 4177000 4074.1379 20623.4357 14486.2595 263.9262 -203624.9582 2731.5093 0.0000 0.0000 51961.5415 -109484.1480 298.6237 -161445.6896 -109121.7536 300.0335 -230.1456 -199.9778 761958.0845 15.0614 14.9541 PRESSURE: 4177200 -226.124 -101.289 -33.0877 -101.29 159.61 -50.3365 -33.0869 -50.3358 107.399 GPRESSURE: 4177200 -214.18 -178.787 -88.4496 -29.0263 176.624 -77.0395 -25.9336 -39.8422 147.264 PRESSAVG: 4177200 5.15861 -4.97707 -12.3684 -4.97707 -13.3501 -21.3975 -12.3684 -21.3975 20.4332 GPRESSAVG: 4177200 5.35683 -5.67889 -11.4005 -5.7903 -13.9551 -20.2773 -10.9355 -20.7244 21.4164 TIMING: 4177200 CPU: 13274.1, 0.00315303/step Wall: 13274.1, 0.00315303/step, 0.720643 hours remaining, 239.328125 MB of memory in use. ENERGY: 4177200 4012.7596 20659.3290 14475.7612 257.7138 -204044.0117 2968.5386 0.0000 0.0000 52244.1633 -109425.7461 300.2479 -161669.9094 -109072.0927 299.6631 13.6280 36.5693 763443.7925 4.0805 4.2727 PRESSURE: 4177400 -95.0855 3.27392 -89.2196 3.27375 -154.045 365.75 -89.2194 365.749 -30.1226 GPRESSURE: 4177400 -72.0781 -61.5766 -79.4804 -41.6082 -115.885 359.437 -288.77 145.485 -12.5168 PRESSAVG: 4177400 59.6875 -11.5974 -32.8398 -11.5974 -30.1342 6.40034 -32.8398 6.40033 -10.8833 GPRESSAVG: 4177400 60.2461 -9.3184 -30.7819 -12.1025 -29.7071 8.31016 -35.6395 5.78286 -11.2687 TIMING: 4177400 CPU: 13274.8, 0.00316919/step Wall: 13274.8, 0.00316919/step, 0.72416 hours remaining, 239.328125 MB of memory in use. ENERGY: 4177400 4038.7722 20695.3804 14406.5470 249.7858 -203320.2191 2508.2843 0.0000 0.0000 51894.2418 -109527.2075 298.2369 -161421.4494 -109181.6930 299.2423 -93.0844 -66.8267 760916.4587 6.2234 6.4234 PRESSURE: 4177600 -25.8134 -73.1443 -97.5396 -73.1443 185.676 198.564 -97.5395 198.564 -420.226 GPRESSURE: 4177600 -76.6273 -94.3921 -56.3797 -94.3609 175.222 188.783 -122.708 129.092 -276.047 PRESSAVG: 4177600 13.2171 9.32555 -17.335 9.32556 2.31211 56.6067 -17.335 56.6067 -17.79 GPRESSAVG: 4177600 13.2131 10.0614 -18.9488 8.57291 2.23096 53.5179 -15.6938 56.7933 -17.5851 TIMING: 4177600 CPU: 13275.4, 0.00316478/step Wall: 13275.4, 0.00316478/step, 0.722977 hours remaining, 239.328125 MB of memory in use. ENERGY: 4177600 3967.6649 20622.7051 14449.4730 244.7743 -203305.3489 2431.3960 0.0000 0.0000 52191.5424 -109397.7932 299.9455 -161589.3356 -109039.7185 299.5175 -86.7878 -59.1507 762104.0575 -0.7536 -0.7137 PRESSURE: 4177800 -52.9606 -93.4429 61.6944 -93.4434 71.178 76.4099 61.6946 76.4101 -189.432 GPRESSURE: 4177800 50.2143 49.11 85.7482 -65.2938 43.7841 167.957 67.4961 32.5627 -178.15 PRESSAVG: 4177800 7.27755 -23.5639 -5.80353 -23.5639 -10.6072 14.2636 -5.80356 14.2635 3.61724 GPRESSAVG: 4177800 7.86933 -25.0714 -6.5562 -21.973 -10.628 15.7703 -5.78228 14.0882 2.86846 TIMING: 4177800 CPU: 13276, 0.0031506/step Wall: 13276, 0.0031506/step, 0.719563 hours remaining, 239.328125 MB of memory in use. ENERGY: 4177800 4007.8154 20561.6043 14379.8218 243.1411 -203476.6429 2457.3458 0.0000 0.0000 52441.9379 -109384.9766 301.3845 -161826.9145 -109022.6951 299.7858 -57.0714 -28.0504 761389.0875 0.0959 0.0366 PRESSURE: 4178000 167.961 -161.974 27.7248 -161.975 -228.479 -80.2633 27.7246 -80.2632 -138.883 GPRESSURE: 4178000 178.234 42.8425 -49.9095 -146.799 -112.802 -77.5744 14.6015 36.3817 -191.434 PRESSAVG: 4178000 10.5638 -48.9915 -60.0382 -48.9915 -2.32242 -10.8363 -60.0381 -10.8362 -10.7746 GPRESSAVG: 4178000 9.24678 -47.6002 -60.6973 -49.04 -1.5335 -11.7918 -59.1158 -11.3622 -10.1333 TIMING: 4178000 CPU: 13276.7, 0.00315173/step Wall: 13276.7, 0.00315173/step, 0.719646 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4178000 4013.9260 20570.0606 14477.9842 235.0973 -203758.1693 2614.2470 0.0000 0.0000 52235.0906 -109611.7637 300.1958 -161846.8542 -109241.2624 299.4180 -66.4670 -42.0004 761226.4719 -0.8444 -0.8067 PRESSURE: 4178200 -128.709 -172.873 -32.2132 -172.874 -45.273 -38.8234 -32.2131 -38.8237 -80.6714 GPRESSURE: 4178200 -133.354 -61.3948 -17.1309 -79.6754 8.84381 -50.581 8.6834 44.3553 -56.6861 PRESSAVG: 4178200 -8.29954 -62.8707 -29.5732 -62.8706 -10.6518 13.0385 -29.5732 13.0385 2.23962 GPRESSAVG: 4178200 -8.73356 -62.4332 -28.0605 -64.6011 -11.2395 13.1429 -32.5227 14.2755 2.1535 TIMING: 4178200 CPU: 13277.3, 0.00316842/step Wall: 13277.3, 0.00316842/step, 0.723281 hours remaining, 239.328125 MB of memory in use. ENERGY: 4178200 3965.4611 20684.5224 14357.8600 260.1618 -203792.3931 2800.6176 0.0000 0.0000 52083.3430 -109640.4271 299.3237 -161723.7701 -109284.5660 299.0782 -84.8844 -60.3988 762147.0688 -5.5706 -5.9399 PRESSURE: 4178400 -289.524 33.3566 -38.846 33.3568 85.9388 23.6106 -38.8461 23.6097 208.185 GPRESSURE: 4178400 -188.817 -29.1547 -77.7338 55.5707 120.089 55.6036 -32.7303 -55.7921 188.574 PRESSAVG: 4178400 -18.2673 12.607 -54.2204 12.607 -7.05452 -18.1934 -54.2204 -18.1934 -16.0383 GPRESSAVG: 4178400 -18.4471 11.9374 -54.0227 13.6762 -7.2409 -17.3872 -52.7408 -18.294 -14.8501 TIMING: 4178400 CPU: 13277.9, 0.00319673/step Wall: 13277.9, 0.00319673/step, 0.729566 hours remaining, 239.328125 MB of memory in use. ENERGY: 4178400 3997.3070 20484.8634 14431.2468 257.6903 -203257.4499 2345.8893 0.0000 0.0000 51831.1322 -109909.3209 297.8742 -161740.4530 -109556.8991 298.6002 1.5333 39.9487 760358.6047 -13.7867 -13.5127 PRESSURE: 4178600 327.482 -90.5435 204.531 -90.544 -115.198 201.716 204.531 201.717 42.4169 GPRESSURE: 4178600 311.268 -97.161 253.882 2.5094 -27.804 226.41 156.672 86.3719 45.7097 PRESSAVG: 4178600 1.37247 3.97281 -12.6351 3.97272 8.53149 -68.7562 -12.6351 -68.7562 10.5536 GPRESSAVG: 4178600 2.94021 2.53203 -13.4079 4.76841 8.34219 -69.2687 -12.847 -69.8226 9.00593 TIMING: 4178600 CPU: 13278.6, 0.0031646/step Wall: 13278.6, 0.00316459/step, 0.722055 hours remaining, 239.328125 MB of memory in use. ENERGY: 4178600 3972.7021 20449.7073 14363.7725 259.4439 -203420.2758 2501.6540 0.0000 0.0000 51916.6185 -109956.3776 298.3655 -161872.9961 -109599.6540 298.4999 84.9002 109.7247 760418.8857 6.8192 6.7628 PRESSURE: 4178800 54.5018 -108.41 259.7 -108.41 -195.154 -70.3892 259.699 -70.3901 -467.898 GPRESSURE: 4178800 82.3291 -95.4176 237.42 -79.8381 -152.7 11.9383 146.116 -59.1432 -487.571 PRESSAVG: 4178800 53.8851 -28.9485 0.745594 -28.9485 -17.7664 2.15459 0.745546 2.1545 -23.5982 GPRESSAVG: 4178800 53.3592 -29.946 0.418086 -26.7014 -17.8191 0.658123 -0.322549 3.34346 -23.1324 TIMING: 4178800 CPU: 13279.2, 0.00314594/step Wall: 13279.2, 0.00314594/step, 0.717623 hours remaining, 239.328125 MB of memory in use. ENERGY: 4178800 4035.5408 20652.5728 14362.7149 244.8999 -203711.3684 2719.1005 0.0000 0.0000 51922.1442 -109774.3953 298.3973 -161696.5395 -109431.8166 298.2551 -202.8500 -185.9807 760948.1076 4.1735 4.1359 PRESSURE: 4179000 53.4026 -103.955 -9.13459 -103.956 -19.2579 86.4329 -9.13494 86.4337 18.1842 GPRESSURE: 4179000 68.371 -56.3442 -59.7608 -29.6453 43.6746 74.1913 41.2513 202.531 27.0559 PRESSAVG: 4179000 36.1017 -6.0486 -21.1425 -6.04857 -59.8752 17.6468 -21.1425 17.6467 -5.0643 GPRESSAVG: 4179000 35.7228 -3.19024 -19.1965 -10.9834 -59.5292 18.8833 -21.3827 16.9608 -4.84769 TIMING: 4179000 CPU: 13279.8, 0.00314118/step Wall: 13279.8, 0.00314118/step, 0.716364 hours remaining, 239.328125 MB of memory in use. ENERGY: 4179000 3995.9723 20604.8547 14352.4470 245.9004 -203779.2540 2616.8136 0.0000 0.0000 51990.7865 -109972.4795 298.7918 -161963.2660 -109613.6290 298.4466 17.4430 46.3672 761261.2967 -9.6126 -9.5514 PRESSURE: 4179200 -195.613 -50.2843 -6.01631 -50.2845 -280.708 213.343 -6.01682 213.344 -141.95 GPRESSURE: 4179200 -220.228 -137.467 32.6588 -55.7146 -177.711 137.992 -128.524 161.36 -145.577 PRESSAVG: 4179200 4.75738 -47.0216 18.6214 -47.0215 -17.9214 17.1919 18.6213 17.192 1.66887 GPRESSAVG: 4179200 4.0542 -48.9985 18.0587 -44.7048 -16.9607 17.9783 19.2946 18.0087 1.636 TIMING: 4179200 CPU: 13280.5, 0.00315752/step Wall: 13280.5, 0.00315752/step, 0.719914 hours remaining, 239.328125 MB of memory in use. ENERGY: 4179200 4024.3221 20637.1402 14391.4410 249.8171 -203542.1066 2415.0090 0.0000 0.0000 52159.1852 -109665.1921 299.7596 -161824.3772 -109295.8948 299.0987 -206.0901 -181.1718 761543.0005 -3.8317 -3.7568 PRESSURE: 4179400 -12.2203 -155.512 60.271 -155.511 221.601 -59.8661 60.2706 -59.8683 -127.488 GPRESSURE: 4179400 79.1759 -239.198 107.155 -0.702041 216.027 -42.9296 -24.0397 -48.8707 -144.197 PRESSAVG: 4179400 -63.0206 -86.8078 11.3095 -86.8078 49.2668 4.05619 11.3095 4.05622 -0.56715 GPRESSAVG: 4179400 -62.1864 -86.4076 11.4139 -86.8412 48.4313 3.98794 10.7738 4.49225 -1.44645 TIMING: 4179400 CPU: 13281.1, 0.00315455/step Wall: 13281.1, 0.00315455/step, 0.719062 hours remaining, 239.328125 MB of memory in use. ENERGY: 4179400 3909.1132 20617.8856 14470.9628 242.6124 -203446.4736 2557.0943 0.0000 0.0000 51898.7830 -109750.0224 298.2630 -161648.8054 -109381.2220 299.0863 27.2977 50.3355 761248.0251 -4.7736 -5.0672 PRESSURE: 4179600 -119.242 288.917 9.7791 288.917 71.02 206.101 9.77909 206.101 -235.141 GPRESSURE: 4179600 -124.871 267.225 -25.8257 299.982 156.194 201.726 -3.53846 215.399 -222.951 PRESSAVG: 4179600 -30.9317 21.2031 35.6111 21.2031 31.0095 11.5645 35.6111 11.5646 2.02529 GPRESSAVG: 4179600 -30.6863 24.172 36.1784 20.0171 30.0321 10.5216 33.9916 10.7676 2.95786 TIMING: 4179600 CPU: 13281.7, 0.00316207/step Wall: 13281.7, 0.00316207/step, 0.720601 hours remaining, 239.328125 MB of memory in use. ENERGY: 4179600 3985.9932 20655.9054 14402.2843 248.9396 -203047.4292 2158.4496 0.0000 0.0000 51965.6333 -109630.2236 298.6472 -161595.8570 -109270.5169 298.9444 -94.4545 -63.8758 762781.8921 0.7010 0.7679 PRESSURE: 4179800 38.1865 -44.3488 33.9347 -44.3484 255.95 109.234 33.9344 109.233 622.709 GPRESSURE: 4179800 -2.03912 -97.8448 135.847 -84.4686 348.791 89.4633 145.705 23.4568 649.6 PRESSAVG: 4179800 -8.13807 -22.5761 -27.7504 -22.5761 11.1968 20.5823 -27.7504 20.5824 17.3359 GPRESSAVG: 4179800 -9.89128 -24.7695 -28.682 -21.4603 13.3045 22.3028 -25.8739 20.407 17.0588 TIMING: 4179800 CPU: 13282.4, 0.00317872/step Wall: 13282.4, 0.00317872/step, 0.724218 hours remaining, 239.328125 MB of memory in use. ENERGY: 4179800 3996.1261 20643.1159 14411.4331 257.1147 -203715.0148 2848.2362 0.0000 0.0000 51923.7467 -109635.2420 298.4065 -161558.9888 -109262.1589 299.2038 305.6150 332.1173 761943.0597 6.7982 6.8240 PRESSURE: 4180000 120.723 -219.03 37.3753 -219.03 288.59 -201.533 37.3758 -201.533 141.6 GPRESSURE: 4180000 171.29 -226.697 25.3549 -169.694 326.048 -255.168 -29.4097 -160.954 111.529 PRESSAVG: 4180000 4.8564 -29.6569 74.5876 -29.6569 -22.8861 -20.0228 74.5876 -20.0228 -15.7198 GPRESSAVG: 4180000 6.91766 -28.4361 74.0915 -31.7449 -25.147 -19.6337 75.7129 -23.514 -16.4061 TIMING: 4180000 CPU: 13283, 0.00319072/step Wall: 13283, 0.00319072/step, 0.726775 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4180000 4032.6134 20668.0603 14483.1013 251.7035 -203574.0102 2569.3216 0.0000 0.0000 51960.1841 -109609.0261 298.6159 -161569.2102 -109250.9770 298.8735 183.6376 202.9559 760440.5395 -11.2498 -11.5451 PRESSURE: 4180200 231.696 158.986 -32.7229 158.986 51.8309 -95.4402 -32.7229 -95.4396 -1.0536 GPRESSURE: 4180200 176.951 199.944 27.2481 105.936 96.236 -145.759 111.239 -45.5147 85.6999 PRESSAVG: 4180200 -7.69066 28.6109 11.0044 28.6109 6.79723 -44.11 11.0043 -44.11 12.4174 GPRESSAVG: 4180200 -8.05131 26.5623 11.2889 30.2008 8.00881 -45.8994 11.1681 -40.07 11.7182 TIMING: 4180200 CPU: 13283.6, 0.00321389/step Wall: 13283.6, 0.00321389/step, 0.731873 hours remaining, 239.328125 MB of memory in use. ENERGY: 4180200 3966.1461 20511.9956 14470.8540 251.4774 -203764.7877 2793.1346 0.0000 0.0000 51927.8285 -109843.3514 298.4299 -161771.1800 -109478.2010 299.1576 94.1576 119.6289 759546.9762 3.8413 3.8919 LDB: ============= START OF LOAD BALANCING ============== 13296 LDB: ============== END OF LOAD BALANCING =============== 13296 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13296.1 LDB: ============= START OF LOAD BALANCING ============== 13296.4 LDB: Largest compute 7075 load 0.036021 is 18.4% of average load 0.195995 LDB: Average compute 0.004397 is 2.2% of average load 0.195995 LDB: TIME 13296.4 LOAD: AVG 0.195995 MAX 0.21841 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 13296.4 LOAD: AVG 0.195995 MAX 0.21841 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 13296.4 LOAD: AVG 0.195995 MAX 0.21841 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13296.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13296.4 PRESSURE: 4180400 40.5733 -64.0503 -94.7793 -64.051 165.702 54.7929 -94.7792 54.7928 -201.852 GPRESSURE: 4180400 28.2531 -47.1403 -134.105 -50.9004 186.116 70.708 -124.03 0.525155 -140.273 PRESSAVG: 4180400 31.7204 -0.718198 -6.81265 -0.718197 -9.11335 3.63016 -6.81266 3.63011 -1.40394 GPRESSAVG: 4180400 30.9357 0.925071 -6.96234 -2.65918 -8.92119 4.22398 -7.139 1.23121 -1.17692 TIMING: 4180400 CPU: 13284.3, 0.00323655/step Wall: 13284.3, 0.00323655/step, 0.736855 hours remaining, 237.843750 MB of memory in use. ENERGY: 4180400 4012.3989 20735.0059 14418.0193 248.8511 -203913.5851 2698.9362 0.0000 0.0000 52197.2588 -109603.1148 299.9784 -161800.3736 -109247.9244 299.1539 1.4745 24.6988 759628.7511 7.0677 6.9459 PRESSURE: 4180600 -12.0175 -11.3612 209.09 -11.3606 292.865 14.4814 209.09 14.4817 -109.209 GPRESSURE: 4180600 47.2281 81.1948 252.318 -42.7828 243.18 -13.8211 181.728 -47.1196 -31.0098 PRESSAVG: 4180600 -57.9724 -36.8454 -28.6819 -36.8454 49.325 18.002 -28.6818 18.0019 -0.792772 GPRESSAVG: 4180600 -56.103 -38.5871 -29.5116 -34.2563 47.5001 18.269 -28.3549 19.9838 -0.0404843 TIMING: 4180600 CPU: 13284.9, 0.0031759/step Wall: 13284.9, 0.0031759/step, 0.72287 hours remaining, 237.843750 MB of memory in use. ENERGY: 4180600 3966.4588 20618.8304 14340.5305 248.7698 -203686.3684 2731.9901 0.0000 0.0000 51928.2882 -109851.5006 298.4326 -161779.7888 -109488.9882 299.3718 57.2129 86.4661 760767.9334 -3.1467 -2.8811 PRESSURE: 4180800 10.4866 -44.087 49.7262 -44.0869 270.688 33.5173 49.726 33.5172 -83.5333 GPRESSURE: 4180800 -9.26384 -69.6929 67.64 -64.684 325.075 16.2745 85.8939 60.9916 -19.8809 PRESSAVG: 4180800 17.1715 -60.3746 4.71018 -60.3745 -30.873 1.92716 4.7102 1.92726 -9.63451 GPRESSAVG: 4180800 16.4957 -60.3819 6.1646 -61.2795 -29.8548 1.90792 4.96192 3.32178 -9.61572 TIMING: 4180800 CPU: 13285.6, 0.00315558/step Wall: 13285.6, 0.00315558/step, 0.718071 hours remaining, 237.843750 MB of memory in use. ENERGY: 4180800 3921.1166 20551.1309 14423.2952 228.0817 -203835.2622 2759.7602 0.0000 0.0000 52147.6912 -109804.1865 299.6935 -161951.8777 -109451.3586 298.9160 65.8803 98.6436 761537.9931 -7.7786 -7.6583 PRESSURE: 4181000 -311.54 132.769 -172.283 132.769 -239.68 -8.99034 -172.283 -8.9906 -198.783 GPRESSURE: 4181000 -302.939 97.3728 -119.611 39.5503 -232.037 37.0229 -38.0952 -118.25 -116.733 PRESSAVG: 4181000 43.6919 -66.1044 66.3121 -66.1044 -57.2732 -37.0738 66.3122 -37.0738 18.4956 GPRESSAVG: 4181000 43.7767 -66.4222 66.997 -66.3218 -56.9337 -38.1577 65.6291 -39.0343 18.2507 TIMING: 4181000 CPU: 13286.2, 0.00314949/step Wall: 13286.2, 0.00314949/step, 0.71651 hours remaining, 237.843750 MB of memory in use. ENERGY: 4181000 4088.4426 20610.4049 14461.0686 253.2269 -203456.6533 2462.0944 0.0000 0.0000 51901.4419 -109679.9740 298.2783 -161581.4159 -109320.4613 298.8997 -250.0008 -217.2362 760525.8438 1.6381 1.6979 PRESSURE: 4181200 -2.65905 31.8117 -234.189 31.8114 -42.1324 -138.942 -234.188 -138.943 94.6085 GPRESSURE: 4181200 6.86058 70.7481 -278.726 130.862 6.26172 -35.7856 -182.778 -99.9548 130.32 PRESSAVG: 4181200 28.3039 -11.325 72.2867 -11.3251 -40.363 -33.3908 72.2867 -33.3908 10.6508 GPRESSAVG: 4181200 28.4163 -9.71171 70.1573 -10.4879 -40.2444 -31.9888 71.5319 -32.5836 10.2375 TIMING: 4181200 CPU: 13286.8, 0.0031698/step Wall: 13286.8, 0.00316981/step, 0.720955 hours remaining, 237.843750 MB of memory in use. ENERGY: 4181200 4011.0762 20480.8498 14468.7673 249.4739 -203562.6101 2568.1178 0.0000 0.0000 52046.8921 -109737.4329 299.1142 -161784.3251 -109371.4279 298.8994 16.6057 47.8142 761358.4618 -0.4694 -0.5302 PRESSURE: 4181400 134.507 -125.46 -47.4128 -125.46 171.021 -36.9934 -47.4121 -36.9919 219.316 GPRESSURE: 4181400 93.3777 -84.4666 -82.7961 -22.1287 136.204 -53.2904 -38.7262 -19.3707 366.917 PRESSAVG: 4181400 14.5308 -79.8495 10.7123 -79.8495 -73.609 -4.52681 10.7124 -4.5268 15.8494 GPRESSAVG: 4181400 12.7524 -78.3793 9.26274 -83.1131 -73.7318 -5.82074 11.7467 -4.4745 17.8621 TIMING: 4181400 CPU: 13287.5, 0.00315834/step Wall: 13287.5, 0.00315834/step, 0.718171 hours remaining, 237.843750 MB of memory in use. ENERGY: 4181400 3994.6268 20491.9411 14444.9730 268.5942 -203310.1367 2750.9017 0.0000 0.0000 51843.3931 -109515.7067 297.9447 -161359.0998 -109148.8789 298.9832 174.9477 198.8329 760639.6836 -14.4096 -14.3724 PRESSURE: 4181600 126.554 33.9933 80.4945 33.9939 -68.5255 206.707 80.4946 206.708 152.983 GPRESSURE: 4181600 183.224 108.235 181.957 4.19759 -29.5972 105.079 190.95 110.016 152.16 PRESSAVG: 4181600 -9.03077 -77.8559 28.9834 -77.8558 -5.94106 17.0503 28.9833 17.0504 -0.869657 GPRESSAVG: 4181600 -7.46089 -78.8643 29.8773 -75.3268 -5.36299 16.6006 28.5404 16.2772 -2.71926 TIMING: 4181600 CPU: 13288.1, 0.00317349/step Wall: 13288.1, 0.00317349/step, 0.72144 hours remaining, 237.843750 MB of memory in use. ENERGY: 4181600 3979.5472 20626.7551 14449.3235 262.5621 -203341.9713 2718.0250 0.0000 0.0000 51867.0892 -109438.6692 298.0809 -161305.7584 -109083.0528 299.1917 70.3373 101.9288 762689.6655 -5.2805 -5.1810 PRESSURE: 4181800 226.026 89.7943 41.0778 89.7949 316.23 259.323 41.0773 259.323 279.936 GPRESSURE: 4181800 305.968 -10.1539 108.66 59.437 241.364 211.946 148.698 243.731 361.542 PRESSAVG: 4181800 -4.46517 -67.582 28.9924 -67.582 0.57609 18.127 28.9923 18.127 -10.1935 GPRESSAVG: 4181800 -5.335 -68.0796 29.5796 -67.2129 1.38089 18.0916 30.9039 19.3721 -10.2714 TIMING: 4181800 CPU: 13288.7, 0.0031797/step Wall: 13288.7, 0.0031797/step, 0.722675 hours remaining, 237.843750 MB of memory in use. ENERGY: 4181800 3957.6372 20492.4144 14453.7006 252.6158 -203629.2282 2703.3406 0.0000 0.0000 52353.7569 -109415.7626 300.8778 -161769.5195 -109053.6151 299.5827 274.0642 302.9583 760195.8167 -4.6942 -4.7418 PRESSURE: 4182000 -191.905 119.652 176.949 119.651 -698.084 139.874 176.949 139.874 -325.152 GPRESSURE: 4182000 -161.112 35.0627 276.078 115.134 -728.373 146.982 114.022 79.0087 -223.64 PRESSAVG: 4182000 91.8706 -25.2568 -3.52153 -25.2568 -37.6267 58.7766 -3.52157 58.7767 -4.28031 GPRESSAVG: 4182000 92.3592 -25.4981 -3.77207 -25.0315 -37.7108 59.7753 -6.25079 57.9153 -4.38249 TIMING: 4182000 CPU: 13289.4, 0.00320467/step Wall: 13289.4, 0.00320467/step, 0.728172 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4182000 3967.1061 20613.8207 14453.8897 246.1148 -203281.1313 2377.0651 0.0000 0.0000 52285.5372 -109337.5978 300.4857 -161623.1349 -108974.5071 299.6558 -405.0471 -371.0421 762943.0665 16.6545 16.7553 PRESSURE: 4182200 258.41 -23.4847 135.353 -23.4849 -6.59492 -47.6026 135.353 -47.6025 -103.263 GPRESSURE: 4182200 219.769 -130.945 121.455 33.6726 42.7948 -45.7085 -2.81227 -44.3323 -49.0686 PRESSAVG: 4182200 91.2614 -44.1987 6.60086 -44.1987 -44.1616 36.7412 6.60088 36.7411 -8.37412 GPRESSAVG: 4182200 90.079 -45.0635 6.97912 -43.4432 -45.2286 36.7009 6.87649 36.9615 -6.45464 TIMING: 4182200 CPU: 13290, 0.00319664/step Wall: 13290, 0.00319664/step, 0.726169 hours remaining, 237.843750 MB of memory in use. ENERGY: 4182200 3936.3766 20530.7564 14345.3556 246.9650 -203440.0227 2563.8393 0.0000 0.0000 52340.7250 -109476.0048 300.8029 -161816.7298 -109114.0859 299.5863 49.5174 71.1651 760653.8829 12.9086 12.7986 PRESSURE: 4182400 -281.825 -265.162 -258.24 -265.161 107.802 -0.393338 -258.24 -0.393288 -45.7911 GPRESSURE: 4182400 -166.069 -206.554 -274.976 -313.588 88.8123 10.8235 -175.303 -78.348 -47.0443 PRESSAVG: 4182400 -54.7267 -41.8597 32.5504 -41.8597 38.478 -24.1059 32.5504 -24.1059 -2.77615 GPRESSAVG: 4182400 -51.8535 -39.4929 32.5061 -43.5293 37.6641 -23.5252 33.1535 -24.0719 -4.62163 TIMING: 4182400 CPU: 13290.6, 0.00320008/step Wall: 13290.6, 0.00320008/step, 0.726774 hours remaining, 237.843750 MB of memory in use. ENERGY: 4182400 3995.8194 20634.3082 14439.2049 252.5102 -203362.1834 2663.6339 0.0000 0.0000 52005.5262 -109371.1806 298.8765 -161376.7068 -109014.5547 299.4826 -73.2713 -41.4337 762511.8974 -6.3416 -6.2704 PRESSURE: 4182600 -126.998 -143.325 70.5308 -143.325 -151.305 159.396 70.5309 159.395 8.49636 GPRESSURE: 4182600 -124.438 66.4142 121.279 -170.057 -106.055 127.824 -4.65042 193.053 44.1608 PRESSAVG: 4182600 -4.33856 -0.814556 25.7047 -0.814553 16.9678 26.447 25.7047 26.447 12.0915 GPRESSAVG: 4182600 -5.67312 -1.04601 25.4581 -1.31519 17.8489 25.9633 28.4849 27.5635 12.3698 TIMING: 4182600 CPU: 13291.3, 0.00322301/step Wall: 13291.3, 0.00322301/step, 0.731802 hours remaining, 237.843750 MB of memory in use. ENERGY: 4182600 4068.6282 20368.3832 14429.1329 235.9634 -203325.2100 2655.6937 0.0000 0.0000 52230.5424 -109336.8663 300.1696 -161567.4087 -108977.2977 299.2130 -89.9355 -62.1107 760406.2929 8.2402 8.1819 PRESSURE: 4182800 194.317 108.027 34.8292 108.027 -118.838 -132.754 34.8299 -132.755 -205.03 GPRESSURE: 4182800 144.415 45.8077 17.9249 102.583 -66.7978 -144.039 -169.256 -220 -136.035 PRESSAVG: 4182800 9.61514 5.81272 71.027 5.81268 -11.367 13.5178 71.027 13.5178 -19.3763 GPRESSAVG: 4182800 10.059 5.82864 72.0877 6.65643 -12.1083 12.3737 69.8188 14.2238 -19.2928 TIMING: 4182800 CPU: 13291.9, 0.00321835/step Wall: 13291.9, 0.00321835/step, 0.730565 hours remaining, 237.843750 MB of memory in use. ENERGY: 4182800 3973.5931 20422.8957 14455.3456 246.3454 -203063.7059 2554.6391 0.0000 0.0000 52129.3665 -109281.5204 299.5882 -161410.8869 -108919.5090 298.9472 -43.1835 -19.4728 760522.8706 -7.0427 -7.1140 PRESSURE: 4183000 -292.576 -119.273 -117.084 -119.273 -267.9 74.5992 -117.084 74.5988 -347.413 GPRESSURE: 4183000 -227.287 -85.7243 -48.2955 -130.457 -258.841 134.399 -161.948 -40.9174 -337.976 PRESSAVG: 4183000 16.2444 -27.2212 36.0653 -27.2212 -29.2161 -21.1827 36.0653 -21.1827 7.41842 GPRESSAVG: 4183000 15.9372 -28.2669 36.0086 -26.6647 -28.9265 -20.6739 32.5216 -22.5192 7.67157 TIMING: 4183000 CPU: 13292.6, 0.00320289/step Wall: 13292.6, 0.00320289/step, 0.726878 hours remaining, 237.843750 MB of memory in use. ENERGY: 4183000 4015.3878 20581.2926 14431.8491 243.7434 -202881.4802 2203.0132 0.0000 0.0000 52185.6009 -109220.5932 299.9114 -161406.1941 -108857.5109 299.3960 -302.6296 -274.7016 762374.0690 -1.8511 -1.7726 PRESSURE: 4183200 -367.722 -17.8219 -4.79513 -17.8214 -184.906 159.283 -4.79456 159.284 -447.018 GPRESSURE: 4183200 -329.033 14.8478 -42.1877 -18.9761 -222.439 202.731 34.9223 208.189 -365.928 PRESSAVG: 4183200 5.56251 1.68967 -9.78564 1.68968 12.1708 12.5576 -9.78564 12.5576 -9.892 GPRESSAVG: 4183200 5.5279 1.12985 -9.64273 5.66227 12.2112 13.6285 -7.6984 12.7209 -9.742 TIMING: 4183200 CPU: 13293.2, 0.00319979/step Wall: 13293.2, 0.00319979/step, 0.725996 hours remaining, 237.843750 MB of memory in use. ENERGY: 4183200 3985.6976 20512.7548 14433.0246 263.2721 -203079.6552 2393.2747 0.0000 0.0000 52328.1587 -109163.4726 300.7306 -161491.6314 -108791.6180 300.3023 -333.2154 -305.8000 761607.0110 2.6138 2.6657 PRESSURE: 4183400 409.352 -3.64063 288.415 -3.64065 279.472 91.8357 288.415 91.8347 226.682 GPRESSURE: 4183400 367.084 -100.211 388.737 15.4956 328.627 20.3975 131.201 114.605 285.48 PRESSAVG: 4183400 44.2864 -72.7395 -40.4304 -72.7395 -0.317502 15.0411 -40.4304 15.0411 -8.80685 GPRESSAVG: 4183400 44.2823 -72.4864 -40.1591 -76.5755 -0.935936 14.4221 -39.7382 15.0969 -8.56295 TIMING: 4183400 CPU: 13293.9, 0.00319378/step Wall: 13293.9, 0.00319378/step, 0.724455 hours remaining, 237.843750 MB of memory in use. ENERGY: 4183400 3971.7698 20472.3430 14447.6322 255.2778 -203233.2615 2503.4678 0.0000 0.0000 52296.4220 -109286.3490 300.5483 -161582.7711 -108916.8690 300.3803 305.1685 327.0634 760577.4447 11.7207 11.5945 PRESSURE: 4183600 36.097 25.9513 -178.193 25.9503 97.4384 28.2428 -178.192 28.2429 145.335 GPRESSURE: 4183600 35.834 87.304 -145.187 132.497 127.897 -6.81043 -277.659 53.2595 202.409 PRESSAVG: 4183600 45.3711 3.17673 -62.3701 3.17664 -41.6295 -8.49312 -62.3701 -8.49314 30.8176 GPRESSAVG: 4183600 44.7543 2.64142 -60.8912 2.37243 -41.1492 -8.39298 -64.6731 -9.07315 30.989 TIMING: 4183600 CPU: 13294.5, 0.003207/step Wall: 13294.5, 0.003207/step, 0.727277 hours remaining, 237.843750 MB of memory in use. ENERGY: 4183600 4062.6660 20467.6087 14455.2631 250.5651 -203359.7512 2755.1453 0.0000 0.0000 52099.3892 -109269.1139 299.4159 -161368.5030 -108907.4396 300.1132 92.9569 122.0466 759840.3280 11.5197 11.5314 PRESSURE: 4183800 -251.338 -136.416 -88.1036 -136.417 -419.267 -2.3791 -88.1041 -2.37758 51.6849 GPRESSURE: 4183800 -158.902 -204.494 -57.3268 -102.233 -408.463 1.12115 -91.6637 -66.8225 36.9787 PRESSAVG: 4183800 20.0422 -23.9329 11.0008 -23.9328 -0.701176 7.1459 11.0008 7.14586 -1.41676 GPRESSAVG: 4183800 21.1134 -23.3068 9.15105 -23.9174 -0.391587 8.51262 13.2313 7.78475 -2.4628 TIMING: 4183800 CPU: 13295.1, 0.00324267/step Wall: 13295.1, 0.00324267/step, 0.735186 hours remaining, 237.843750 MB of memory in use. ENERGY: 4183800 3982.0020 20440.2406 14490.9065 245.9298 -203092.7293 2438.8790 0.0000 0.0000 52224.6191 -109270.1523 300.1356 -161494.7714 -108917.0109 299.9402 -206.3069 -176.7957 763514.4471 5.9748 6.0864 PRESSURE: 4184000 104.618 165.678 -140.302 165.678 196.368 -259.483 -140.302 -259.482 127.071 GPRESSURE: 4184000 101.393 161.944 -79.9652 188.545 262.522 -230.352 -207.352 -185.672 161.958 PRESSAVG: 4184000 53.1329 6.65853 -20.7232 6.65853 -42.6674 -23.3722 -20.7233 -23.3722 34.9222 GPRESSAVG: 4184000 52.7089 5.16248 -19.5247 7.1686 -42.8442 -23.5443 -21.7527 -24.9338 35.4393 TIMING: 4184000 CPU: 13295.8, 0.00321853/step Wall: 13295.8, 0.00321853/step, 0.729534 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4184000 4000.1905 20526.3533 14435.3323 238.6097 -203170.3007 2653.1965 0.0000 0.0000 51956.6504 -109359.9681 298.5956 -161316.6184 -108998.8077 299.5374 142.6856 175.2909 760846.9295 15.1292 15.1013 PRESSURE: 4184200 -101.673 82.5119 83.617 82.5124 204.473 -160.049 83.6163 -160.049 -542.57 GPRESSURE: 4184200 8.77728 48.6192 64.3329 177.911 123.646 -190.113 116.997 -148.864 -485.074 PRESSAVG: 4184200 49.1632 -30.5793 12.8818 -30.5793 -82.0864 0.911098 12.8817 0.911111 -8.52143 GPRESSAVG: 4184200 50.6064 -29.0539 12.3806 -31.3118 -83.2483 -0.0551643 13.0993 1.08004 -9.06016 TIMING: 4184200 CPU: 13296.4, 0.0032168/step Wall: 13296.4, 0.0032168/step, 0.728964 hours remaining, 237.843750 MB of memory in use. ENERGY: 4184200 4074.1384 20509.3288 14413.2128 253.2841 -203401.1812 2523.5547 0.0000 0.0000 52101.2275 -109526.4349 299.4265 -161627.6624 -109158.7027 299.4084 -146.5896 -117.5502 762627.6911 -13.8149 -13.9007 LDB: ============= START OF LOAD BALANCING ============== 13308.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13308.8 LDB: =============== DONE WITH MIGRATION ================ 13308.8 LDB: ============= START OF LOAD BALANCING ============== 13309.2 LDB: Largest compute 7075 load 0.034893 is 17.8% of average load 0.196026 LDB: Average compute 0.004412 is 2.3% of average load 0.196026 LDB: TIME 13309.2 LOAD: AVG 0.196026 MAX 0.215952 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 13309.2 LOAD: AVG 0.196026 MAX 0.215952 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 13309.2 LOAD: AVG 0.196026 MAX 0.215952 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 13309.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13309.2 PRESSURE: 4184400 -241.767 24.3882 83.8832 24.3877 147.148 46.9127 83.8841 46.9128 -41.9094 GPRESSURE: 4184400 -155.796 -60.0318 138.323 -6.61273 105.609 96.5097 40.3779 17.6279 -2.33297 PRESSAVG: 4184400 12.321 -14.5215 -57.1139 -14.5216 -49.3255 -44.8161 -57.1139 -44.816 -5.18683 GPRESSAVG: 4184400 11.5742 -14.5444 -55.455 -13.1536 -49.3728 -42.9599 -58.1769 -45.7327 -4.49099 TIMING: 4184400 CPU: 13297.1, 0.00327441/step Wall: 13297.1, 0.00327441/step, 0.741835 hours remaining, 239.898438 MB of memory in use. ENERGY: 4184400 3999.0903 20586.7401 14473.0509 241.3299 -203400.9305 2385.4439 0.0000 0.0000 52230.6384 -109484.6371 300.1702 -161715.2754 -109122.0619 298.8674 -45.5095 -17.5068 758755.8741 -14.0638 -14.0965 PRESSURE: 4184600 -131.794 -36.8242 65.5775 -36.825 -115.387 101.274 65.5769 101.274 56.7343 GPRESSURE: 4184600 -67.9113 -29.2771 76.93 -65.7325 -45.4569 12.5001 129.764 42.2498 12.9968 PRESSAVG: 4184600 1.97452 -21.6914 -23.869 -21.6914 27.7212 28.3891 -23.869 28.3891 -29.8443 GPRESSAVG: 4184600 4.09939 -23.2142 -25.1084 -21.2942 27.7296 27.66 -22.6548 27.7455 -31.5881 TIMING: 4184600 CPU: 13297.7, 0.00318621/step Wall: 13297.7, 0.00318621/step, 0.721676 hours remaining, 239.968750 MB of memory in use. ENERGY: 4184600 4029.8475 20636.8202 14529.4311 259.4419 -203613.8523 2748.4162 0.0000 0.0000 51763.4098 -109646.4856 297.4850 -161409.8954 -109292.2356 298.9035 -63.4822 -33.4571 761721.8924 -0.0495 0.0803 PRESSURE: 4184800 -402.315 116.51 -86.5066 116.511 -27.2986 146.164 -86.5063 146.163 -192.57 GPRESSURE: 4184800 -429.084 80.595 -40.8253 54.0657 13.0208 246.76 -107.752 197.141 -120.078 PRESSAVG: 4184800 1.0209 11.0201 -54.8783 11.0201 -27.912 -8.17974 -54.8783 -8.17971 10.1676 GPRESSAVG: 4184800 -1.01749 12.4342 -54.8283 10.2799 -26.553 -6.88033 -54.0445 -7.89249 10.8059 TIMING: 4184800 CPU: 13298.4, 0.00316418/step Wall: 13298.4, 0.00316418/step, 0.71651 hours remaining, 239.968750 MB of memory in use. ENERGY: 4184800 3978.0193 20557.6558 14437.3768 259.9510 -203133.6535 2362.4968 0.0000 0.0000 51782.1330 -109756.0208 297.5926 -161538.1538 -109384.5914 298.4758 -207.3944 -178.7136 762491.1282 -5.5745 -5.5882 PRESSURE: 4185000 -117.252 -185.475 119.638 -185.475 -88.9553 -109.101 119.638 -109.102 -87.0299 GPRESSURE: 4185000 -28.9099 -100.44 124.855 -197.351 -58.8814 -133.7 93.9542 -19.2166 -102.947 PRESSAVG: 4185000 3.70402 0.314834 -3.50786 0.314929 31.3637 66.5978 -3.50789 66.5978 13.4804 GPRESSAVG: 4185000 1.58576 -0.713815 -3.34999 0.219357 32.2062 63.7405 -5.38125 69.9097 14.4658 TIMING: 4185000 CPU: 13299, 0.00316814/step Wall: 13299, 0.00316814/step, 0.717233 hours remaining, 239.968750 MB of memory in use. ENERGY: 4185000 4012.4987 20500.3739 14435.1573 256.1274 -203030.0349 2324.8615 0.0000 0.0000 51776.9431 -109724.0730 297.5628 -161501.0161 -109364.1363 298.2202 -97.7457 -63.5794 760562.2079 16.1827 16.0859 PRESSURE: 4185200 -88.5054 -38.194 -256.186 -38.1948 262.739 145.782 -256.185 145.783 15.6503 GPRESSURE: 4185200 110.443 -97.4739 -209.11 25.6534 100.773 171.598 -224.947 58.6883 37.185 PRESSAVG: 4185200 -23.6242 -16.8537 -23.8064 -16.8537 -27.9806 -2.21934 -23.8064 -2.21931 -0.878 GPRESSAVG: 4185200 -21.0619 -16.6637 -25.0939 -16.7198 -29.3476 -1.31895 -21.5441 -4.83189 -1.99276 TIMING: 4185200 CPU: 13299.6, 0.00316086/step Wall: 13299.6, 0.00316086/step, 0.715409 hours remaining, 239.968750 MB of memory in use. ENERGY: 4185200 3932.0301 20710.9803 14469.5454 247.6055 -203273.3697 2512.4250 0.0000 0.0000 51853.9369 -109546.8465 298.0053 -161400.7834 -109193.1817 298.5729 63.2945 82.8002 760745.4079 -17.4943 -17.4674 PRESSURE: 4185400 92.8721 42.764 17.5789 42.7642 -76.8807 88.0716 17.5789 88.0711 53.7032 GPRESSURE: 4185400 115.276 25.6312 -43.7267 -55.3479 -1.15114 87.669 86.4178 118.679 52.1011 PRESSAVG: 4185400 36.5048 44.0272 -15.2796 44.0272 -11.4733 26.123 -15.2796 26.123 -4.61597 GPRESSAVG: 4185400 36.1635 42.8012 -14.9634 42.1289 -10.384 25.7925 -15.3029 26.8584 -4.8049 TIMING: 4185400 CPU: 13300.3, 0.00315897/step Wall: 13300.3, 0.00315897/step, 0.714805 hours remaining, 239.968750 MB of memory in use. ENERGY: 4185400 3994.0924 20278.7944 14447.5254 246.9957 -203165.9098 2537.6806 0.0000 0.0000 52079.8763 -109580.9449 299.3038 -161660.8212 -109212.6507 298.8074 23.2316 55.4088 761702.7222 6.8052 6.9915 PRESSURE: 4185600 7.82187 -279.397 72.6764 -279.397 -64.8 7.63476 72.6766 7.63462 -29.9008 GPRESSURE: 4185600 -19.8212 -185.217 37.9312 -224.91 47.373 -42.7196 87.1023 -53.9411 -24.5916 PRESSAVG: 4185600 32.6633 37.4011 20.1644 37.4011 -18.0201 12.7693 20.1644 12.7694 17.6961 GPRESSAVG: 4185600 31.997 37.1323 18.7343 39.8034 -19.0584 13.449 19.6257 10.9548 18.5441 TIMING: 4185600 CPU: 13300.9, 0.0031474/step Wall: 13300.9, 0.0031474/step, 0.712013 hours remaining, 239.968750 MB of memory in use. ENERGY: 4185600 3986.8423 20670.9651 14448.9221 256.3609 -203757.3384 2717.5024 0.0000 0.0000 52103.6061 -109573.1395 299.4401 -161676.7455 -109216.9955 298.5917 -28.9597 0.9867 761012.2759 10.7798 10.4942 PRESSURE: 4185800 233.024 -160.375 -146.434 -160.376 11.4358 -75.3179 -146.434 -75.3181 388.73 GPRESSURE: 4185800 242.652 -77.181 -165.716 -95.9475 29.4003 -27.394 -283.059 -147.7 439.103 PRESSAVG: 4185800 10.2241 7.54059 -5.73574 7.54062 -6.46506 -16.0146 -5.73571 -16.0146 -14.0276 GPRESSAVG: 4185800 10.1683 10.3898 -3.67554 5.42241 -6.39512 -16.3415 -7.31591 -14.4037 -13.835 TIMING: 4185800 CPU: 13301.5, 0.00314566/step Wall: 13301.5, 0.00314566/step, 0.711444 hours remaining, 239.968750 MB of memory in use. ENERGY: 4185800 4049.2550 20606.9550 14463.2480 263.2224 -203759.4362 2958.2329 0.0000 0.0000 52111.6094 -109306.9135 299.4861 -161418.5229 -108939.4780 299.1617 211.0633 237.0518 762003.8479 -3.4229 -3.3540 PRESSURE: 4186000 346.576 -151.096 35.3949 -151.095 106.992 90.2899 35.3939 90.2893 177.939 GPRESSURE: 4186000 350.742 -133.553 84.8397 -195.379 123.817 97.9936 15.352 -12.3643 271.482 PRESSAVG: 4186000 -58.0727 -27.6689 -5.27812 -27.669 66.0386 -14.9801 -5.27816 -14.9801 8.72735 GPRESSAVG: 4186000 -57.3792 -27.9989 -5.66949 -28.1165 66.5271 -14.6844 -4.63076 -17.2712 7.84947 TIMING: 4186000 CPU: 13302.1, 0.00315735/step Wall: 13302.1, 0.00315734/step, 0.713911 hours remaining, 239.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4186000 3980.2300 20370.2145 14455.1032 258.6017 -203147.8652 2715.7263 0.0000 0.0000 52105.7356 -109262.2538 299.4524 -161367.9894 -108891.6505 299.5497 210.5021 248.6803 763231.5020 5.5644 5.6658 PRESSURE: 4186200 -205.151 -54.2139 106.106 -54.2134 137.387 -98.4969 106.105 -98.4971 -257.505 GPRESSURE: 4186200 -169.901 -57.2284 127.655 -46.6221 197.841 -202.083 38.4079 9.95891 -269.315 PRESSAVG: 4186200 -22.7569 -81.8252 -8.74331 -81.8251 26.8534 41.9375 -8.74329 41.9376 -5.22269 GPRESSAVG: 4186200 -22.2429 -82.4901 -10.2151 -79.8283 26.6908 40.3976 -7.08893 44.8831 -5.10063 TIMING: 4186200 CPU: 13302.8, 0.00318536/step Wall: 13302.8, 0.00318536/step, 0.720069 hours remaining, 239.968750 MB of memory in use. ENERGY: 4186200 3960.0741 20517.7804 14423.3137 259.2901 -203033.1455 2514.1463 0.0000 0.0000 52269.8750 -109088.6659 300.3957 -161358.5409 -108725.0214 299.5290 -108.4228 -80.4585 761074.0550 -0.3754 -0.2176 PRESSURE: 4186400 -311.666 106.763 -122.933 106.763 -180.92 10.1986 -122.933 10.1989 -99.1529 GPRESSURE: 4186400 -321.856 107.808 -74.762 179.792 -122.398 -61.6062 -42.8238 90.7772 -51.2152 PRESSAVG: 4186400 -7.24459 -12.274 -10.7486 -12.274 -4.41056 -3.55757 -10.7486 -3.55762 12.9997 GPRESSAVG: 4186400 -7.75274 -12.4275 -10.2055 -13.6194 -4.14556 -1.691 -13.2222 -5.60045 12.8336 TIMING: 4186400 CPU: 13303.4, 0.00318195/step Wall: 13303.4, 0.00318195/step, 0.71912 hours remaining, 239.968750 MB of memory in use. ENERGY: 4186400 4016.0115 20573.5278 14407.1816 232.7622 -203175.7343 2345.3457 0.0000 0.0000 52318.1381 -109282.7674 300.6731 -161600.9055 -108903.2937 299.7237 -197.2463 -165.1565 761435.9171 0.4482 0.3118 PRESSURE: 4186600 179.415 191.215 -189.191 191.216 114.029 -95.4269 -189.192 -95.4276 331.596 GPRESSURE: 4186600 149.941 223.525 -133.189 115.326 163.212 -33.3699 -143.867 -56.7933 377.577 PRESSAVG: 4186600 -22.5513 29.2867 -16.5115 29.2868 -10.9243 -15.3468 -16.5115 -15.3468 15.293 GPRESSAVG: 4186600 -22.3502 29.7517 -15.7205 27.0803 -10.6319 -14.9494 -15.0901 -13.3564 15.3551 TIMING: 4186600 CPU: 13304.1, 0.00330698/step Wall: 13304.1, 0.00330698/step, 0.747194 hours remaining, 239.968750 MB of memory in use. ENERGY: 4186600 3999.7598 20420.3186 14428.3350 238.6284 -203742.2781 2888.5102 0.0000 0.0000 52211.3591 -109555.3670 300.0594 -161766.7260 -109188.8733 299.5494 208.3464 230.2434 762005.5688 -6.0609 -5.8757 PRESSURE: 4186800 -317.198 231.601 -30.767 231.601 58.0671 104.644 -30.7683 104.644 -336.052 GPRESSURE: 4186800 -333.961 70.1437 33.6683 296.598 88.4176 8.73976 -109.269 70.5572 -280.552 PRESSAVG: 4186800 -12.6072 -4.54902 17.12 -4.549 18.4086 30.7152 17.12 30.7152 -8.18841 GPRESSAVG: 4186800 -11.7418 -6.90899 16.9354 -0.90189 17.5945 30.322 16.6001 30.4849 -7.86246 TIMING: 4186800 CPU: 13304.7, 0.0032058/step Wall: 13304.7, 0.0032058/step, 0.724156 hours remaining, 239.968750 MB of memory in use. ENERGY: 4186800 3968.5637 20553.4065 14464.5921 255.4535 -203354.2932 2510.9479 0.0000 0.0000 52032.5821 -109568.7474 299.0320 -161601.3296 -109207.5274 299.1644 -198.3946 -175.3650 761777.1034 -0.7957 -0.6700 PRESSURE: 4187000 50.7239 -223.612 -93.8583 -223.613 -359.623 -63.9835 -93.8582 -63.9833 -493.202 GPRESSURE: 4187000 -43.5567 -155.019 -80.6404 -140.425 -191.448 -72.8204 -203.186 -125.657 -493.609 PRESSAVG: 4187000 11.7172 -17.7351 -7.34752 -17.7351 -6.16222 44.4184 -7.34747 44.4185 -25.5663 GPRESSAVG: 4187000 10.2133 -17.1772 -6.56809 -17.9754 -4.77719 43.3048 -7.70152 43.9644 -24.6919 TIMING: 4187000 CPU: 13305.4, 0.00319343/step Wall: 13305.4, 0.00319343/step, 0.721183 hours remaining, 239.968750 MB of memory in use. ENERGY: 4187000 4044.2442 20598.2387 14415.8929 241.0906 -203436.3365 2500.8153 0.0000 0.0000 52008.3919 -109627.6630 298.8929 -161636.0549 -109266.5022 298.3560 -267.3673 -242.8713 760187.2491 -6.6704 -6.4186 PRESSURE: 4187200 39.0253 -134.359 -193.935 -134.36 32.6287 89.586 -193.936 89.5867 -305.397 GPRESSURE: 4187200 77.8613 -271.852 -220.28 -152.453 87.3829 80.9499 -157.96 55.1596 -320.405 PRESSAVG: 4187200 -13.7219 -83.829 9.60452 -83.829 3.85568 -4.50874 9.60457 -4.50878 -17.0321 GPRESSAVG: 4187200 -12.2272 -83.005 9.67693 -84.6848 3.14429 -6.59806 10.585 -3.85575 -18.1752 TIMING: 4187200 CPU: 13306, 0.00316843/step Wall: 13306, 0.00316843/step, 0.71536 hours remaining, 239.968750 MB of memory in use. ENERGY: 4187200 3994.0405 20560.7643 14425.5288 259.0863 -203390.2725 2572.0643 0.0000 0.0000 51795.8314 -109782.9568 297.6714 -161578.7882 -109420.5719 298.7011 -77.9144 -51.7203 762408.1135 -8.9661 -9.0860 PRESSURE: 4187400 205.322 -12.5155 -28.2555 -12.5152 -160.38 83.0206 -28.2565 83.0207 178.899 GPRESSURE: 4187400 287.428 -14.149 -82.0118 -130.933 -112.381 99.8969 89.2308 75.5612 154.965 PRESSAVG: 4187400 59.37 -8.83337 -0.177911 -8.83333 -41.3737 6.12938 -0.17791 6.12945 8.89944 GPRESSAVG: 4187400 58.4808 -7.41371 -1.47482 -8.88239 -40.7508 7.45398 0.74665 5.73686 9.40797 TIMING: 4187400 CPU: 13306.6, 0.00318812/step Wall: 13306.6, 0.00318812/step, 0.71963 hours remaining, 239.968750 MB of memory in use. ENERGY: 4187400 4013.6360 20529.5181 14346.5712 255.3752 -203785.6926 2801.4544 0.0000 0.0000 52009.0381 -109830.0995 298.8967 -161839.1376 -109460.8133 298.6562 74.6135 110.0041 763651.8946 8.9652 9.0460 PRESSURE: 4187600 -120.313 -98.216 154.896 -98.2162 137.495 89.1868 154.896 89.1868 -419.38 GPRESSURE: 4187600 -65.2247 -24.7421 169.955 -107.009 74.8104 90.3933 85.7195 113.875 -313.573 PRESSAVG: 4187600 1.26219 -33.8657 26.317 -33.8658 -0.782484 -24.8705 26.3171 -24.8705 3.93888 GPRESSAVG: 4187600 2.51278 -34.1345 27.9329 -32.8975 -1.80648 -22.6049 24.8984 -25.4097 3.93568 TIMING: 4187600 CPU: 13307.3, 0.00315799/step Wall: 13307.3, 0.00315799/step, 0.712653 hours remaining, 239.968750 MB of memory in use. ENERGY: 4187600 3949.4467 20526.9165 14339.4384 245.4533 -203497.9445 2421.5290 0.0000 0.0000 52147.9906 -109867.1701 299.6952 -162015.1607 -109504.1622 298.9724 -134.0662 -101.3292 763162.6327 1.4729 1.5473 PRESSURE: 4187800 56.9619 152.975 -154.031 152.974 -195.297 -72.564 -154.031 -72.5646 -196.548 GPRESSURE: 4187800 14.2576 153.86 -100.575 91.2193 -63.7716 -22.4824 -174.554 16.7744 -220.019 PRESSAVG: 4187800 -30.8709 25.6492 36.3032 25.6492 25.4018 4.3313 36.3032 4.33128 -10.5685 GPRESSAVG: 4187800 -30.4351 25.512 35.549 24.7438 24.8996 2.62276 36.3216 5.95766 -10.8903 TIMING: 4187800 CPU: 13307.9, 0.00316298/step Wall: 13307.9, 0.00316298/step, 0.713604 hours remaining, 239.968750 MB of memory in use. ENERGY: 4187800 3911.8147 20509.9803 14397.4118 241.4804 -203482.4030 2504.0707 0.0000 0.0000 51979.3597 -109938.2854 298.7261 -161917.6451 -109566.2975 298.2677 -111.6277 -89.8444 763310.8763 -5.3459 -5.4753 PRESSURE: 4188000 -118.47 9.16975 -57.4338 9.16943 -40.5328 -125.712 -57.4341 -125.712 -160.164 GPRESSURE: 4188000 -61.8713 95.5024 -63.7379 70.3577 9.42297 -139.09 -54.2118 -49.9825 -187.93 PRESSAVG: 4188000 28.7557 38.0039 27.483 38.0039 41.9872 4.56013 27.4829 4.56004 5.4428 GPRESSAVG: 4188000 27.5957 35.6064 28.8358 39.5997 43.7391 5.5155 26.7109 4.49046 5.25295 TIMING: 4188000 CPU: 13308.5, 0.00319825/step Wall: 13308.5, 0.00319825/step, 0.721383 hours remaining, 239.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4188000 4020.8961 20414.0357 14458.4112 239.6392 -203570.5719 2510.5514 0.0000 0.0000 52110.5002 -109816.5380 299.4798 -161927.0383 -109447.0898 298.3270 -106.3891 -80.1262 762122.9323 25.3952 25.5292 PRESSURE: 4188200 -292.291 166.222 115.248 166.223 2.16286 -233.969 115.247 -233.969 -137.541 GPRESSURE: 4188200 -399.08 198.796 64.8231 45.468 62.099 -263.297 114.925 -66.4529 -10.9305 PRESSAVG: 4188200 -13.4707 -16.217 51.331 -16.217 -12.0408 -61.3224 51.331 -61.3224 -4.34402 GPRESSAVG: 4188200 -12.6256 -12.5744 50.1359 -17.7985 -13.7268 -62.6507 50.8671 -58.9356 -3.74505 TIMING: 4188200 CPU: 13309.2, 0.00319566/step Wall: 13309.2, 0.00319566/step, 0.720622 hours remaining, 239.968750 MB of memory in use. ENERGY: 4188200 3968.7360 20505.6691 14434.6684 251.7156 -203643.2139 2561.5941 0.0000 0.0000 52118.9932 -109801.8375 299.5286 -161920.8307 -109440.8973 298.6317 -142.5564 -115.9705 763028.3846 -9.9518 -10.0325 LDB: ============= START OF LOAD BALANCING ============== 13321.6 LDB: ============== END OF LOAD BALANCING =============== 13321.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13321.6 LDB: ============= START OF LOAD BALANCING ============== 13321.9 LDB: Largest compute 7075 load 0.036401 is 18.6% of average load 0.196120 LDB: Average compute 0.004409 is 2.2% of average load 0.196120 LDB: TIME 13321.9 LOAD: AVG 0.19612 MAX 0.218296 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13321.9 LOAD: AVG 0.19612 MAX 0.218296 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 13321.9 LOAD: AVG 0.19612 MAX 0.218296 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 13321.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13321.9 PRESSURE: 4188400 -8.54295 -7.26181 12.5155 -7.26269 -302.086 -18.5388 12.5161 -18.5384 100.921 GPRESSURE: 4188400 109.991 16.3904 12.9465 37.7269 -243.153 -66.6594 30.598 -3.52593 27.4246 PRESSAVG: 4188400 0.797395 26.608 39.079 26.6081 -45.3015 20.6314 39.0789 20.6315 35.7158 GPRESSAVG: 4188400 1.15861 23.9708 37.3874 27.882 -44.505 21.0827 40.0212 15.2188 34.4103 TIMING: 4188400 CPU: 13309.8, 0.00324474/step Wall: 13309.8, 0.00324474/step, 0.731508 hours remaining, 239.894531 MB of memory in use. ENERGY: 4188400 4010.4596 20714.1338 14472.4807 242.3987 -203698.4212 2560.3454 0.0000 0.0000 51948.5325 -109750.0705 298.5489 -161698.6030 -109390.6655 299.1685 -69.9025 -35.2457 760393.9218 -2.9294 -2.9787 PRESSURE: 4188600 183.897 -46.7629 -50.6022 -46.7626 497.705 271.877 -50.6022 271.876 270.294 GPRESSURE: 4188600 198.882 -6.13925 -47.3691 -98.6467 564.508 163.804 73.9663 241.264 293.334 PRESSAVG: 4188600 8.30033 8.76797 36.8964 8.76797 -23.1365 -15.7661 36.8964 -15.7661 -2.85218 GPRESSAVG: 4188600 7.46329 10.6003 38.4859 8.20435 -23.5369 -16.0558 38.3163 -13.2238 -2.03048 TIMING: 4188600 CPU: 13310.5, 0.00319848/step Wall: 13310.5, 0.00319848/step, 0.720902 hours remaining, 239.894531 MB of memory in use. ENERGY: 4188600 3879.3364 20590.3486 14402.1160 250.5996 -203711.1466 2842.3262 0.0000 0.0000 51758.0209 -109988.3988 297.4541 -161746.4198 -109624.8533 298.1938 317.2989 352.2413 760166.5189 -5.8961 -6.0347 PRESSURE: 4188800 -306.466 74.4199 125.507 74.42 -16.9935 -238.973 125.507 -238.972 -282.353 GPRESSURE: 4188800 -257.633 -53.0068 118.616 68.877 47.9354 -234.234 179.156 -178.403 -302.863 PRESSAVG: 4188800 66.9774 -16.4863 -8.8177 -16.4863 -19.5252 34.7801 -8.8177 34.7801 -12.5547 GPRESSAVG: 4188800 67.8455 -17.153 -8.03097 -16.3293 -21.154 35.1411 -11.111 34.5414 -11.9662 TIMING: 4188800 CPU: 13311.1, 0.0031992/step Wall: 13311.1, 0.0031992/step, 0.720886 hours remaining, 239.894531 MB of memory in use. ENERGY: 4188800 3940.1366 20444.9606 14328.8156 232.9268 -203356.0379 2474.1252 0.0000 0.0000 51858.3729 -110076.7003 298.0308 -161935.0731 -109714.4837 298.0213 -201.9372 -170.8538 760193.7768 11.6325 11.5751 PRESSURE: 4189000 374.203 47.5008 -201.803 47.5007 -93.981 197.485 -201.804 197.486 -36.6181 GPRESSURE: 4189000 400.734 5.8371 -128.293 150.223 -2.62881 201.448 -45.2763 105.926 -48.7002 PRESSAVG: 4189000 16.5132 11.6934 44.0252 11.6934 13.2602 11.8486 44.0251 11.8486 28.9677 GPRESSAVG: 4189000 15.1586 12.1295 44.9516 11.6937 14.6098 12.8908 43.2584 12.5384 29.0927 TIMING: 4189000 CPU: 13311.7, 0.00320195/step Wall: 13311.7, 0.00320195/step, 0.721328 hours remaining, 239.894531 MB of memory in use. ENERGY: 4189000 3915.3845 20559.3148 14372.8422 231.1507 -203690.2190 2861.7374 0.0000 0.0000 51923.2908 -109826.4986 298.4039 -161749.7894 -109452.8193 298.1328 81.2014 116.4683 760139.0800 19.5804 19.6204 PRESSURE: 4189200 -120.058 -30.5322 229.747 -30.5315 -155.602 -69.9709 229.748 -69.9698 -488.152 GPRESSURE: 4189200 -87.8009 46.3822 198.986 30.0138 -92.8356 -54.8053 328.008 11.8378 -504.982 PRESSAVG: 4189200 -5.35052 -3.80991 56.1286 -3.80996 10.6124 31.9588 56.1285 31.9588 -8.78007 GPRESSAVG: 4189200 -3.44846 -4.91564 54.3218 -5.69243 8.93412 30.9069 59.5101 31.4884 -8.5921 TIMING: 4189200 CPU: 13312.4, 0.00316892/step Wall: 13312.4, 0.00316892/step, 0.71371 hours remaining, 239.894531 MB of memory in use. ENERGY: 4189200 3980.4589 20631.4437 14378.9198 223.8393 -203430.0810 2494.2202 0.0000 0.0000 52080.7360 -109640.4631 299.3087 -161721.1991 -109282.6526 298.6056 -254.6040 -228.5396 761681.3692 -1.1727 -1.0355 PRESSURE: 4189400 -383.567 -166.957 -34.2027 -166.956 -145.388 -151.276 -34.2021 -151.277 -21.9388 GPRESSURE: 4189400 -377.088 -133.757 -8.98606 -64.495 -55.2788 -121.027 -11.2663 -222.549 -7.2458 PRESSAVG: 4189400 39.8309 -13.3385 12.9266 -13.3385 -32.8731 -11.5473 12.9266 -11.5474 34.6591 GPRESSAVG: 4189400 39.6196 -11.8374 13.2218 -12.0578 -31.7875 -13.5771 10.9959 -10.6824 33.8441 TIMING: 4189400 CPU: 13313, 0.00318881/step Wall: 13313, 0.00318881/step, 0.718014 hours remaining, 239.894531 MB of memory in use. ENERGY: 4189400 3982.3065 20599.3158 14460.8970 233.7961 -203585.9269 2666.5236 0.0000 0.0000 52114.6412 -109528.4466 299.5036 -161643.0878 -109167.7191 298.6639 -183.6311 -146.5376 762140.6210 13.8723 13.8921 PRESSURE: 4189600 67.1122 19.0365 98.1821 19.0374 -262.886 -25.2322 98.1818 -25.2329 95.9285 GPRESSURE: 4189600 -26.3039 -91.0765 149.063 145.697 -154.084 -38.3985 -70.6555 16.9493 140.047 PRESSAVG: 4189600 34.8803 7.90057 59.2192 7.90058 -40.9607 30.5958 59.2192 30.5958 -10.8772 GPRESSAVG: 4189600 35.166 5.0984 58.742 8.64771 -41.4217 33.1679 60.0057 28.635 -11.2007 TIMING: 4189600 CPU: 13313.6, 0.00315572/step Wall: 13313.6, 0.00315572/step, 0.710387 hours remaining, 239.894531 MB of memory in use. ENERGY: 4189600 3981.7410 20520.3907 14438.6005 227.3576 -203130.3480 2381.7785 0.0000 0.0000 51903.9776 -109676.5021 298.2929 -161580.4797 -109306.9371 298.9019 -33.2819 -13.4471 762137.6336 -5.6525 -5.8188 PRESSURE: 4189800 -328.696 -74.4667 42.54 -74.4662 -492.668 -142.672 42.5394 -142.672 -104.793 GPRESSURE: 4189800 -313.942 -122.909 119.846 -83.3552 -394.534 -11.4669 -10.4688 -225.798 -113.489 PRESSAVG: 4189800 -29.8587 12.0812 15.1978 12.0812 24.4804 -12.0076 15.1978 -12.0076 12.279 GPRESSAVG: 4189800 -30.7157 14.3032 17.3689 12.1202 25.0282 -11.438 12.2168 -9.19012 12.6511 TIMING: 4189800 CPU: 13314.3, 0.00316059/step Wall: 13314.3, 0.00316059/step, 0.711309 hours remaining, 239.894531 MB of memory in use. ENERGY: 4189800 3992.5883 20431.6306 14440.7275 252.0922 -203285.1665 2441.3605 0.0000 0.0000 52229.8849 -109496.8825 300.1659 -161726.7674 -109122.2637 299.1328 -308.7191 -273.9883 761234.9880 2.3002 2.3212 PRESSURE: 4190000 -98.487 55.3942 10.0864 55.3936 -260.759 -6.82842 10.0874 -6.82863 389.604 GPRESSURE: 4190000 -46.8853 3.28191 27.387 138.135 -227.309 -88.5448 109.926 -19.7621 399.531 PRESSAVG: 4190000 50.1261 -7.68199 3.2547 -7.68203 40.6416 -8.89229 3.25468 -8.89235 0.617586 GPRESSAVG: 4190000 51.0566 -5.91266 0.808204 -8.72662 39.7575 -10.7271 4.45312 -10.1123 0.623508 TIMING: 4190000 CPU: 13314.9, 0.00317988/step Wall: 13314.9, 0.00317988/step, 0.715472 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4190000 4011.2469 20372.8117 14464.1112 240.6660 -203532.6034 2762.5498 0.0000 0.0000 51664.7277 -110016.4901 296.9179 -161681.2178 -109656.4488 298.6249 10.1193 41.7789 761486.8436 30.4618 30.4792 PRESSURE: 4190200 -533.281 -211.381 135.344 -211.381 -309.028 -139.378 135.344 -139.378 -38.8733 GPRESSURE: 4190200 -487.92 -241.168 204.39 -61.7549 -252.179 -286.62 161.846 -152.854 -46.1055 PRESSAVG: 4190200 -16.336 -23.5268 12.6745 -23.5268 -2.94392 40.7218 12.6745 40.7218 19.3755 GPRESSAVG: 4190200 -16.9901 -25.4354 14.0431 -21.3458 -2.42186 40.8732 15.106 40.0769 19.175 TIMING: 4190200 CPU: 13315.6, 0.00319345/step Wall: 13315.6, 0.00319345/step, 0.718349 hours remaining, 239.894531 MB of memory in use. ENERGY: 4190200 3998.8429 20495.0773 14409.8738 244.9291 -203536.1943 2455.4097 0.0000 0.0000 51926.3841 -110005.6774 298.4216 -161932.0615 -109645.1207 297.8884 -293.7275 -262.0682 762188.8983 0.0318 -0.0790 PRESSURE: 4190400 34.8934 79.6416 58.9595 79.6419 -89.7919 17.1442 58.9597 17.1447 21.7101 GPRESSURE: 4190400 77.1827 104.14 41.2785 89.3024 -58.1361 -12.95 11.0651 -49.27 30.9549 PRESSAVG: 4190400 -40.7012 -0.709673 -12.0844 -0.709635 0.0583438 -51.829 -12.0845 -51.8291 -15.8528 GPRESSAVG: 4190400 -41.7223 2.2171 -13.1302 -2.90678 0.632941 -51.2312 -13.8265 -51.0429 -15.2489 TIMING: 4190400 CPU: 13316.2, 0.00327189/step Wall: 13316.2, 0.00327189/step, 0.735812 hours remaining, 239.894531 MB of memory in use. ENERGY: 4190400 4027.4403 20546.2252 14472.3911 251.5699 -203701.9101 2733.4331 0.0000 0.0000 51693.7593 -109977.0913 297.0847 -161670.8506 -109630.1190 298.3206 -11.0628 16.6672 760595.5165 -18.8319 -18.7794 PRESSURE: 4190600 228.358 238.776 11.3464 238.776 217.963 -2.50088 11.3456 -2.50125 -171.813 GPRESSURE: 4190600 189.234 212.138 -3.56656 135.479 211.726 -23.9647 64.2967 22.8976 -23.6617 PRESSAVG: 4190600 -11.386 7.09753 39.8136 7.09754 -9.31049 -23.762 39.8136 -23.7621 8.87432 GPRESSAVG: 4190600 -10.4129 5.47509 40.8793 8.18755 -9.54567 -22.9294 39.0899 -23.5847 8.61249 TIMING: 4190600 CPU: 13316.8, 0.00318372/step Wall: 13316.8, 0.00318372/step, 0.715807 hours remaining, 239.894531 MB of memory in use. ENERGY: 4190600 4003.4064 20369.1394 14417.4858 244.2198 -203389.7849 2551.1106 0.0000 0.0000 51900.3133 -109904.1097 298.2718 -161804.4230 -109535.4565 298.0626 91.5030 125.7662 761500.9124 -3.9407 -3.7820 PRESSURE: 4190800 -323.666 -48.7465 91.1465 -48.7465 86.227 -108.968 91.146 -108.968 500.924 GPRESSURE: 4190800 -227.319 -54.929 120.53 -131.456 78.8717 -169.703 55.6927 -9.13732 513.068 PRESSAVG: 4190800 20.7302 6.03837 49.7973 6.03837 26.8447 -18.116 49.7973 -18.1161 -1.99999 GPRESSAVG: 4190800 21.6539 5.83527 48.5187 5.99852 26.3735 -20.0654 52.004 -15.5513 -2.04207 TIMING: 4190800 CPU: 13317.5, 0.00316343/step Wall: 13317.5, 0.00316343/step, 0.711069 hours remaining, 239.894531 MB of memory in use. ENERGY: 4190800 3957.1292 20495.1194 14416.4694 256.9376 -203140.8500 2369.4012 0.0000 0.0000 51963.6807 -109682.1126 298.6360 -161645.7932 -109312.3671 298.7279 87.8282 121.5402 761834.1542 15.1916 15.3284 PRESSURE: 4191000 181.909 17.4552 -29.8492 17.455 22.6825 -142.1 -29.849 -142.1 -77.6271 GPRESSURE: 4191000 170.956 130.769 -93.0685 2.94994 125.984 -94.7654 -42.9921 74.4162 -88.6804 PRESSAVG: 4191000 -53.6581 -28.7066 8.59963 -28.7066 22.5967 -22.0907 8.59956 -22.0908 -9.4131 GPRESSAVG: 4191000 -55.4877 -30.5814 9.52741 -26.9615 23.1811 -19.3119 7.32849 -24.8571 -8.28766 TIMING: 4191000 CPU: 13318.1, 0.00318512/step Wall: 13318.1, 0.00318512/step, 0.715767 hours remaining, 239.894531 MB of memory in use. ENERGY: 4191000 4031.5213 20407.8883 14439.1101 240.2706 -203694.0691 2839.6304 0.0000 0.0000 52039.0730 -109696.5754 299.0693 -161735.6483 -109342.3245 298.3405 42.3215 69.4197 760001.9426 -13.4915 -13.5314 PRESSURE: 4191200 -24.9903 115.058 153.598 115.058 -198.659 -101.098 153.598 -101.1 -8.05571 GPRESSURE: 4191200 1.85864 11.4382 122.172 93.7447 -161.318 -62.3199 50.2446 -63.2655 1.66597 PRESSAVG: 4191200 72.097 -54.3526 -5.31553 -54.3526 -43.9991 -27.4684 -5.31564 -27.4685 -6.8432 GPRESSAVG: 4191200 72.3064 -52.9203 -6.89192 -57.3677 -44.3679 -30.254 -3.13131 -24.4785 -7.43994 TIMING: 4191200 CPU: 13318.8, 0.00319768/step Wall: 13318.8, 0.00319767/step, 0.718411 hours remaining, 239.894531 MB of memory in use. ENERGY: 4191200 3891.4608 20419.9814 14442.4545 259.0023 -203329.3308 2312.8308 0.0000 0.0000 52333.5762 -109670.0250 300.7618 -162003.6012 -109290.1392 299.5986 -77.2350 -52.5976 760358.0547 7.0849 6.8329 PRESSURE: 4191400 -188.59 115.991 -96.2772 115.992 125.89 46.5601 -96.2761 46.5605 -500.942 GPRESSURE: 4191400 -91.6731 181.331 -96.4221 181.432 53.1996 -74.3042 -107.39 74.7809 -448.855 PRESSAVG: 4191400 -7.20015 24.1906 24.3698 24.1905 -6.8803 -5.60782 24.3697 -5.60778 -4.55096 GPRESSAVG: 4191400 -6.3619 22.9175 25.2906 25.4605 -8.0789 -6.10127 21.8707 -8.00507 -4.13721 TIMING: 4191400 CPU: 13319.4, 0.00319881/step Wall: 13319.4, 0.00319881/step, 0.718489 hours remaining, 239.894531 MB of memory in use. ENERGY: 4191400 4007.4613 20513.9553 14406.5286 260.3421 -203557.9724 2456.9065 0.0000 0.0000 52029.3001 -109883.4785 299.0131 -161912.7786 -109517.8679 298.7262 -187.8805 -162.4429 760817.3837 -6.2105 -6.1927 PRESSURE: 4191600 -55.0766 -432.82 -39.5548 -432.82 53.9077 31.5142 -39.5551 31.5143 52.1559 GPRESSURE: 4191600 2.17695 -360.016 66.4414 -329.997 119.172 176.47 -104.603 -27.9806 14.3951 PRESSAVG: 4191600 -10.7378 -16.683 64.2414 -16.683 10.1605 -17.1884 64.2414 -17.1885 -1.74044 GPRESSAVG: 4191600 -11.4347 -16.5044 64.7867 -17.2325 11.0431 -14.79 64.5159 -17.8411 -2.50126 TIMING: 4191600 CPU: 13320, 0.00319147/step Wall: 13320, 0.00319147/step, 0.716663 hours remaining, 239.894531 MB of memory in use. ENERGY: 4191600 4010.7677 20452.6796 14383.6332 256.2016 -203992.9172 2698.5874 0.0000 0.0000 52146.1229 -110044.9247 299.6845 -162191.0476 -109674.5029 298.9529 16.9957 45.2481 760665.8936 -0.7726 -0.9643 PRESSURE: 4191800 -81.6119 90.7879 124.877 90.7868 -59.9075 -16.4627 124.877 -16.4629 -1.761 GPRESSURE: 4191800 -42.6003 50.3204 103.092 52.8772 -0.818942 14.9211 30.3875 -37.6405 -9.69093 PRESSAVG: 4191800 32.0041 -8.97612 -0.649121 -8.97612 -52.367 28.3671 -0.649071 28.3671 15.7287 GPRESSAVG: 4191800 31.9427 -9.5514 -0.014045 -9.67251 -53.2641 29.4144 0.0124206 27.7274 16.4068 TIMING: 4191800 CPU: 13320.7, 0.00319422/step Wall: 13320.7, 0.00319422/step, 0.717103 hours remaining, 239.894531 MB of memory in use. ENERGY: 4191800 4034.9809 20403.4629 14443.4713 237.6367 -203556.1683 2635.4791 0.0000 0.0000 51786.5473 -110014.5901 297.6180 -161801.1374 -109645.6027 298.4746 -47.7602 -17.7034 760801.6722 -1.5447 -1.6382 PRESSURE: 4192000 -168.348 264.221 -0.607233 264.221 -148.957 70.1068 -0.606039 70.1064 -66.6125 GPRESSURE: 4192000 -109.334 273.677 82.2351 171.289 -147.357 104.691 -152.427 41.8496 -54.6368 PRESSAVG: 4192000 0.935933 76.4764 -10.9911 76.4764 5.53104 42.701 -10.991 42.7011 -20.4971 GPRESSAVG: 4192000 1.98902 77.2665 -9.69408 77.439 5.67835 42.8983 -12.9506 44.263 -21.2589 TIMING: 4192000 CPU: 13321.3, 0.00319585/step Wall: 13321.3, 0.00319585/step, 0.71729 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4192000 3890.1307 20620.3949 14370.0551 234.7477 -203644.7463 2458.5362 0.0000 0.0000 52092.3142 -109978.5674 299.3752 -162070.8816 -109617.2675 299.2303 -127.9726 -103.7759 760757.3718 -4.6767 -4.5305 PRESSURE: 4192200 -49.5852 55.3157 117.281 55.3146 176.211 214.427 117.281 214.427 153.36 GPRESSURE: 4192200 -1.54793 151.467 216.02 15.7197 191.876 166.748 125.693 279.809 167.872 PRESSAVG: 4192200 39.946 -10.8204 -4.88728 -10.8204 -23.4082 18.1126 -4.88724 18.1126 11.9014 GPRESSAVG: 4192200 40.1107 -10.8453 -4.70253 -10.8672 -22.2445 15.9346 -6.46033 18.2361 11.4113 TIMING: 4192200 CPU: 13321.9, 0.0031978/step Wall: 13321.9, 0.0031978/step, 0.71755 hours remaining, 239.894531 MB of memory in use. ENERGY: 4192200 4011.7265 20445.3156 14435.0368 242.9753 -203660.0815 2555.3040 0.0000 0.0000 52064.9495 -109904.7738 299.2180 -161969.7233 -109537.8648 298.7521 93.3285 119.3997 760061.5646 9.4797 9.7592 LDB: ============= START OF LOAD BALANCING ============== 13334.4 LDB: ============== END OF LOAD BALANCING =============== 13334.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13334.4 LDB: ============= START OF LOAD BALANCING ============== 13334.7 LDB: Largest compute 7075 load 0.036972 is 18.9% of average load 0.196131 LDB: Average compute 0.004409 is 2.2% of average load 0.196131 LDB: TIME 13334.7 LOAD: AVG 0.196131 MAX 0.218264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.605 MB LDB: TIME 13334.7 LOAD: AVG 0.196131 MAX 0.218264 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.809 MB LDB: TIME 13334.7 LOAD: AVG 0.196131 MAX 0.218264 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.809 MB LDB: ============== END OF LOAD BALANCING =============== 13334.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13334.7 PRESSURE: 4192400 114.229 229.511 -119.372 229.511 123.06 -171.728 -119.371 -171.728 492.04 GPRESSURE: 4192400 95.5958 204.189 -223.282 255.256 265.175 -155.198 -48.8344 -124.718 463.821 PRESSAVG: 4192400 21.8676 33.5942 -12.4326 33.5942 -27.4807 -47.2813 -12.4325 -47.2812 -15.4654 GPRESSAVG: 4192400 21.798 33.8254 -13.3546 33.4321 -28.2784 -45.1916 -9.96013 -48.1746 -14.193 TIMING: 4192400 CPU: 13322.6, 0.00325197/step Wall: 13322.6, 0.00325197/step, 0.729525 hours remaining, 237.332031 MB of memory in use. ENERGY: 4192400 3974.3745 20492.9611 14478.9606 231.7328 -203642.4241 2713.4749 0.0000 0.0000 51748.3265 -110002.5937 297.3983 -161750.9202 -109638.0047 298.2488 243.1096 274.8638 761776.9356 -7.0262 -6.8911 PRESSURE: 4192600 250.959 26.6783 -59.764 26.6778 -220.405 -126.511 -59.765 -126.511 548.31 GPRESSURE: 4192600 246.093 30.368 -58.6242 31.8326 -64.1515 -94.6239 -30.0782 -51.2053 462.861 PRESSAVG: 4192600 30.5924 -1.19218 11.0158 -1.19219 -11.9419 -65.871 11.0159 -65.8711 -3.50861 GPRESSAVG: 4192600 31.1086 -2.16393 10.5545 -1.49916 -10.4013 -66.2955 12.2539 -63.5247 -4.8778 TIMING: 4192600 CPU: 13323.2, 0.00321133/step Wall: 13323.2, 0.00321133/step, 0.72023 hours remaining, 237.332031 MB of memory in use. ENERGY: 4192600 3945.3822 20479.6120 14441.6815 251.4501 -203671.2213 2458.9723 0.0000 0.0000 52015.0896 -110079.0336 298.9314 -162094.1232 -109712.5480 298.1645 192.9549 214.9342 760281.2626 5.0473 5.2765 PRESSURE: 4192800 -221.777 -142.973 -25.4655 -142.973 161.239 104.48 -25.4644 104.48 181.315 GPRESSURE: 4192800 -94.4639 -170.645 2.31313 -125.06 114.385 48.6489 97.8895 136.924 196.03 PRESSAVG: 4192800 -59.7889 -0.78722 -15.8606 -0.787179 7.5477 24.7327 -15.8606 24.7327 2.22161 GPRESSAVG: 4192800 -60.744 0.809544 -16.063 -0.986325 6.84559 23.3114 -15.5285 22.8994 3.17102 TIMING: 4192800 CPU: 13323.9, 0.00318981/step Wall: 13323.9, 0.00318981/step, 0.715226 hours remaining, 237.332031 MB of memory in use. ENERGY: 4192800 4073.6476 20364.8869 14395.0156 238.5336 -203936.7632 3045.6232 0.0000 0.0000 51680.9577 -110138.0985 297.0112 -161819.0562 -109784.9169 297.9903 40.2589 71.9837 761129.7137 -16.6732 -16.9091 PRESSURE: 4193000 88.2522 314.949 157.605 314.95 -2.54136 -60.4737 157.605 -60.4745 -426.63 GPRESSURE: 4193000 75.5365 260.415 169.486 200.017 39.8872 -87.1057 24.4733 -112.295 -366.786 PRESSAVG: 4193000 -41.528 3.3747 4.98549 3.37468 26.9023 -39.1187 4.98545 -39.1186 4.71031 GPRESSAVG: 4193000 -41.9898 1.43799 6.12805 2.98423 27.497 -39.0998 2.51136 -37.9234 4.37301 TIMING: 4193000 CPU: 13324.5, 0.00318586/step Wall: 13324.5, 0.00318586/step, 0.714164 hours remaining, 237.332031 MB of memory in use. ENERGY: 4193000 3890.2281 20511.1381 14363.3762 229.3651 -203587.6028 2719.7756 0.0000 0.0000 51757.6462 -110116.0735 297.4519 -161873.7196 -109764.4764 297.9579 -113.6398 -83.7874 762652.1496 -3.3051 -3.3733 PRESSURE: 4193200 -230.537 -71.0818 118.685 -71.0818 -83.6918 146.28 118.684 146.279 186.571 GPRESSURE: 4193200 -235.554 -67.576 91.2385 -37.9479 -14.7383 89.7216 140.295 279.265 182.767 PRESSAVG: 4193200 -22.2295 15.6736 42.3518 15.6736 26.6517 11.321 42.3518 11.3209 -3.43811 GPRESSAVG: 4193200 -20.4996 18.151 41.0656 17.1087 24.8553 11.7219 43.8202 10.4838 -3.02975 TIMING: 4193200 CPU: 13325.1, 0.00315945/step Wall: 13325.1, 0.00315945/step, 0.708068 hours remaining, 237.332031 MB of memory in use. ENERGY: 4193200 3949.7054 20519.9751 14350.2750 239.7678 -203228.5843 2313.7282 0.0000 0.0000 51736.0600 -110119.0727 297.3278 -161855.1327 -109756.5052 298.2720 -42.5524 -22.5085 761492.2911 0.3280 0.4420 PRESSURE: 4193400 340.317 63.8804 -16.7087 63.8799 178.572 129.333 -16.709 129.334 463.292 GPRESSURE: 4193400 290.915 0.32359 -42.8922 -3.33677 309.032 76.6212 18.2321 187.894 469.603 PRESSAVG: 4193400 -58.459 -15.5499 -20.9976 -15.55 36.5436 -6.03937 -20.9977 -6.03936 9.42025 GPRESSAVG: 4193400 -59.9015 -17.4783 -20.305 -17.049 37.8988 -6.79987 -20.244 -4.83392 9.26278 TIMING: 4193400 CPU: 13325.8, 0.00319813/step Wall: 13325.8, 0.00319813/step, 0.716558 hours remaining, 237.332031 MB of memory in use. ENERGY: 4193400 3948.1447 20557.3505 14417.4694 238.4589 -203410.8702 2691.2835 0.0000 0.0000 51696.9511 -109861.2123 297.1031 -161558.1633 -109498.2142 297.8984 327.3936 356.5166 760866.8202 -4.1650 -4.2466 PRESSURE: 4193600 -120.506 -318.201 -58.9674 -318.201 -55.1968 -100.905 -58.9675 -100.904 62.3756 GPRESSURE: 4193600 -34.622 -298.916 -6.77152 -101.774 -43.1484 -55.4363 -28.1208 -93.7459 35.8194 PRESSAVG: 4193600 -58.3686 0.484305 33.625 0.484261 99.012 -26.7237 33.625 -26.7237 5.63146 GPRESSAVG: 4193600 -58.1384 1.39306 33.7057 0.599649 98.9044 -25.1251 34.2005 -27.2214 5.65926 TIMING: 4193600 CPU: 13326.4, 0.00319942/step Wall: 13326.4, 0.00319942/step, 0.716671 hours remaining, 237.332031 MB of memory in use. ENERGY: 4193600 4029.7465 20554.1301 14367.8979 248.5868 -203601.7697 2657.3059 0.0000 0.0000 52048.6422 -109695.4602 299.1243 -161744.1024 -109342.9936 298.9467 -37.7757 -13.9837 761967.9384 15.4250 15.4751 PRESSURE: 4193800 176.357 -2.42448 160.586 -2.42554 -38.6339 -262.538 160.586 -262.536 -263.043 GPRESSURE: 4193800 244.684 72.253 134.846 19.7477 -99.1058 -258.79 21.3271 -159.833 -175.847 PRESSAVG: 4193800 13.8709 19.5393 17.5367 19.5393 -5.8349 6.49599 17.5367 6.49599 1.00657 GPRESSAVG: 4193800 14.4494 19.825 17.444 19.5593 -6.19596 6.98572 16.7931 5.49904 0.471504 TIMING: 4193800 CPU: 13327.1, 0.00318175/step Wall: 13327.1, 0.00318175/step, 0.712536 hours remaining, 237.332031 MB of memory in use. ENERGY: 4193800 3987.4667 20458.5105 14410.5116 228.0948 -203559.2742 2787.5040 0.0000 0.0000 52044.4876 -109642.6991 299.1004 -161687.1867 -109276.6677 299.1507 -41.7733 -10.0896 762286.9582 3.0142 2.9083 PRESSURE: 4194000 -339.958 -69.4497 -173.475 -69.4501 -248.778 92.4248 -173.474 92.4253 -376.251 GPRESSURE: 4194000 -360.701 -52.394 -126.431 -72.1216 -277.027 108.806 -16.8461 57.7758 -243.375 PRESSAVG: 4194000 42.0354 -39.2474 2.92738 -39.2475 -55.3617 -20.5496 2.92736 -20.5496 -21.7422 GPRESSAVG: 4194000 41.8 -40.0122 4.11091 -38.8515 -56.1615 -22.0411 3.16547 -17.6354 -21.1578 TIMING: 4194000 CPU: 13327.7, 0.00318438/step Wall: 13327.7, 0.00318438/step, 0.712947 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4194000 4001.8531 20614.5519 14390.5998 236.2734 -203077.3925 2470.4554 0.0000 0.0000 51921.1218 -109442.5371 298.3914 -161363.6589 -109079.1949 299.1642 -321.6623 -293.7011 764551.1580 -11.6895 -11.8398 PRESSURE: 4194200 20.2792 222.8 -136.434 222.799 89.0863 142.508 -136.435 142.509 313.609 GPRESSURE: 4194200 73.2918 123.473 -176.983 93.4923 115.628 6.28969 -211.76 209.025 333.976 PRESSAVG: 4194200 34.6011 -41.8566 -10.3282 -41.8566 -3.80765 -36.4598 -10.3282 -36.4598 23.4047 GPRESSAVG: 4194200 34.3199 -42.5079 -10.8846 -42.4854 -1.55293 -36.0025 -11.6862 -39.3342 22.0574 TIMING: 4194200 CPU: 13328.3, 0.00319464/step Wall: 13328.3, 0.00319464/step, 0.715067 hours remaining, 237.332031 MB of memory in use. ENERGY: 4194200 4000.9235 20766.9968 14440.8191 240.3841 -203645.0977 2905.9556 0.0000 0.0000 52057.8221 -109232.1965 299.1770 -161290.0185 -108884.0938 299.9238 140.9914 174.2987 763066.8864 18.0660 18.2748 PRESSURE: 4194400 176.737 -146.612 119.043 -146.612 -407.057 -154.688 119.043 -154.688 -170.327 GPRESSURE: 4194400 118.772 -127.255 84.9194 -129.613 -227.793 -175.727 53.7058 -99.6123 -211.314 PRESSAVG: 4194400 -16.6571 -2.25676 9.06111 -2.25671 35.7228 26.3571 9.06114 26.3571 -17.9851 GPRESSAVG: 4194400 -15.8282 -0.964895 7.28223 -2.72514 34.8694 26.3062 10.1128 27.5069 -16.9238 TIMING: 4194400 CPU: 13329, 0.00320045/step Wall: 13329, 0.00320045/step, 0.716191 hours remaining, 237.332031 MB of memory in use. ENERGY: 4194400 4003.4354 20541.8212 14429.6353 254.1966 -203054.3609 2586.9341 0.0000 0.0000 51982.2424 -109256.0960 298.7427 -161238.3383 -108887.2760 300.3987 -133.5489 -106.7782 763123.3542 0.3602 0.7058 PRESSURE: 4194600 84.6698 -66.9695 178.852 -66.9693 411.632 -71.4223 178.852 -71.4218 403.465 GPRESSURE: 4194600 160.892 -44.5844 183.641 -27.1192 456.547 -96.5214 131.08 40.1595 368.267 PRESSAVG: 4194600 3.66752 34.7883 -4.3949 34.7884 -7.07096 -29.6425 -4.3949 -29.6424 12.7474 GPRESSAVG: 4194600 3.22208 33.4613 -2.52441 36.4618 -8.13198 -28.6065 -5.08423 -29.4398 13.7382 TIMING: 4194600 CPU: 13329.6, 0.00315604/step Wall: 13329.6, 0.00315604/step, 0.706076 hours remaining, 237.332031 MB of memory in use. ENERGY: 4194600 3997.3474 20437.5645 14373.7194 234.6211 -203673.9253 3187.4242 0.0000 0.0000 52004.0680 -109439.1807 298.8681 -161443.2488 -109078.0160 299.4949 299.9222 328.5689 763055.4875 3.1146 2.9428 PRESSURE: 4194800 320.549 -34.0688 -260.257 -34.0678 -10.2178 220.397 -260.259 220.396 164.806 GPRESSURE: 4194800 339.912 9.76979 -225.184 -24.7452 53.1192 144.331 -288.368 240.74 175.538 PRESSAVG: 4194800 4.49074 12.4322 -15.5905 12.4321 -2.89247 -0.107797 -15.5905 -0.107714 29.5729 GPRESSAVG: 4194800 3.37988 11.8419 -15.7171 12.5887 -1.62842 -1.14974 -16.2775 0.958563 29.7095 TIMING: 4194800 CPU: 13330.2, 0.0031708/step Wall: 13330.2, 0.0031708/step, 0.709201 hours remaining, 237.332031 MB of memory in use. ENERGY: 4194800 3974.6101 20569.3944 14413.9921 243.8637 -203901.8931 3028.2881 0.0000 0.0000 52172.6206 -109499.1242 299.8368 -161671.7448 -109132.8582 299.3008 158.3793 189.5229 761114.6869 10.3904 10.4870 PRESSURE: 4195000 153.352 -218.885 1.67344 -218.885 -117.458 -39.1976 1.67355 -39.198 261.824 GPRESSURE: 4195000 102.161 -184.668 -54.2861 -69.7084 -69.4139 -81.2177 11.5161 -48.5435 340.25 PRESSAVG: 4195000 -26.4549 13.6972 -14.5347 13.6973 -58.9471 28.55 -14.5347 28.55 -14.1202 GPRESSAVG: 4195000 -25.7536 14.3026 -13.4999 14.8994 -59.8516 29.9243 -14.4408 26.228 -14.4178 TIMING: 4195000 CPU: 13330.9, 0.00317845/step Wall: 13330.9, 0.00317844/step, 0.710736 hours remaining, 237.332031 MB of memory in use. ENERGY: 4195000 3954.7535 20439.9208 14431.8855 242.5433 -203802.3743 2748.1904 0.0000 0.0000 52272.2481 -109712.8326 300.4093 -161985.0808 -109348.8313 299.0710 99.2393 124.3324 762667.1246 -33.1741 -33.3410 PRESSURE: 4195200 -54.7899 -75.8242 -48.613 -75.824 -356.26 36.589 -48.6136 36.5873 -65.4461 GPRESSURE: 4195200 -84.7811 -72.9525 -45.3687 -147.414 -265.67 28.7316 -33.3427 59.5663 -57.945 PRESSAVG: 4195200 -36.2058 -58.2717 -47.2802 -58.2716 -16.9897 -26.4187 -47.2802 -26.4187 11.3669 GPRESSAVG: 4195200 -36.12 -57.1561 -49.0283 -61.6323 -16.3415 -26.8332 -46.1275 -26.1519 10.1321 TIMING: 4195200 CPU: 13331.5, 0.00319334/step Wall: 13331.5, 0.00319334/step, 0.713888 hours remaining, 237.332031 MB of memory in use. ENERGY: 4195200 3925.6926 20484.2979 14345.7583 233.5526 -203189.2666 2654.8955 0.0000 0.0000 51947.0307 -109598.0391 298.5403 -161545.0698 -109243.1377 298.6020 -158.8321 -136.1322 762282.0897 -13.9429 -14.1098 PRESSURE: 4195400 119.293 -201.019 66.6273 -201.018 62.9989 -66.6896 66.6267 -66.6906 -268.783 GPRESSURE: 4195400 131.274 -111.918 64.1606 -247.418 132.668 -49.7529 -32.798 -208.929 -247.131 PRESSAVG: 4195400 25.4406 -27.7378 10.6699 -27.7379 13.221 -16.0195 10.6699 -16.0195 7.06971 GPRESSAVG: 4195400 25.3835 -29.0053 12.0652 -26.6334 13.148 -17.0967 9.9574 -15.6822 7.15597 TIMING: 4195400 CPU: 13332.2, 0.00318215/step Wall: 13332.2, 0.00318215/step, 0.71121 hours remaining, 237.332031 MB of memory in use. ENERGY: 4195400 3944.6761 20507.5094 14343.9555 246.7726 -203660.8964 2836.9308 0.0000 0.0000 52153.2448 -109627.8073 299.7254 -161781.0521 -109264.8078 298.7157 -28.8304 5.6037 761607.3828 15.2438 15.2292 PRESSURE: 4195600 172.899 -3.44838 87.976 -3.44826 -64.7044 -28.1371 87.9754 -28.1365 -271.461 GPRESSURE: 4195600 262.771 -31.4899 135.751 45.0622 -74.254 -33.1008 -25.9611 95.8021 -260.633 PRESSAVG: 4195600 26.5065 -59.572 -13.156 -59.572 -15.3955 41.5253 -13.156 41.5253 0.0727707 GPRESSAVG: 4195600 26.8203 -59.9145 -13.1453 -59.6033 -15.8567 44.4668 -14.1643 42.7025 0.690604 TIMING: 4195600 CPU: 13332.8, 0.00317649/step Wall: 13332.8, 0.00317649/step, 0.709769 hours remaining, 237.332031 MB of memory in use. ENERGY: 4195600 4017.4139 20448.6014 14383.8323 254.3300 -203387.6981 2572.4992 0.0000 0.0000 52133.8300 -109577.1913 299.6138 -161711.0213 -109213.8926 298.7404 -54.4222 -24.0387 761398.1645 3.7279 3.8848 PRESSURE: 4195800 196.999 171.075 -51.5204 171.076 -34.1839 158.477 -51.5209 158.479 -209.188 GPRESSURE: 4195800 131.191 176.114 -105.948 186.129 4.02041 52.8165 77.5416 187.049 -79.5576 PRESSAVG: 4195800 -5.16644 -47.3987 -16.4807 -47.3987 5.8505 26.8109 -16.4807 26.811 -24.8749 GPRESSAVG: 4195800 -6.39466 -45.2941 -16.4519 -48.2305 6.38502 24.5871 -16.1063 25.4556 -23.8896 TIMING: 4195800 CPU: 13333.4, 0.00315509/step Wall: 13333.4, 0.00315509/step, 0.704812 hours remaining, 237.332031 MB of memory in use. ENERGY: 4195800 3904.7128 20751.5021 14380.5225 243.6583 -203186.2145 2495.5188 0.0000 0.0000 52032.6938 -109377.6061 299.0326 -161410.2999 -109021.5900 299.6704 -15.4574 18.5513 762432.2348 -8.0636 -7.9664 PRESSURE: 4196000 65.5222 -133.433 109.063 -133.433 -201.825 57.5877 109.063 57.5885 408.508 GPRESSURE: 4196000 210.86 -234.392 119.508 -39.5012 -197.555 123.155 -55.1499 102.453 353.403 PRESSAVG: 4196000 -25.193 -19.7173 -79.5217 -19.7173 33.9111 -5.37173 -79.5217 -5.37175 -1.31554 GPRESSAVG: 4196000 -24.4286 -20.38 -79.7277 -19.5303 33.8424 -6.82248 -77.9865 -4.85066 -2.2408 TIMING: 4196000 CPU: 13334.1, 0.00316236/step Wall: 13334.1, 0.00316236/step, 0.706259 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4196000 3948.2545 20579.8768 14395.6321 245.9121 -202875.8668 2464.5874 0.0000 0.0000 52042.2172 -109199.3867 299.0873 -161241.6039 -108832.6894 299.4595 90.7350 122.2360 761482.3323 2.4675 2.3910 PRESSURE: 4196200 -258.312 -101.134 0.437104 -101.133 33.9984 -79.2947 0.437011 -79.2951 -229.402 GPRESSURE: 4196200 -171.127 -178.499 34.1703 -133.386 -59.124 3.25293 106.109 -96.6688 -128.821 PRESSAVG: 4196200 56.8988 -53.473 26.2867 -53.473 -10.1268 26.6558 26.2867 26.6558 16.7883 GPRESSAVG: 4196200 57.5607 -54.5762 27.1151 -52.4483 -11.1941 28.6336 25.1896 26.9233 17.0073 TIMING: 4196200 CPU: 13334.7, 0.00316525/step Wall: 13334.7, 0.00316525/step, 0.706729 hours remaining, 237.332031 MB of memory in use. ENERGY: 4196200 4041.5467 20805.9446 14362.2198 230.6690 -202950.5758 2385.6556 0.0000 0.0000 51931.6180 -109192.9220 298.4517 -161124.5401 -108834.4148 300.0938 -151.2387 -119.6908 762217.5324 21.1868 21.1246 LDB: ============= START OF LOAD BALANCING ============== 13347.1 LDB: ============== END OF LOAD BALANCING =============== 13347.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13347.1 LDB: ============= START OF LOAD BALANCING ============== 13347.4 LDB: Largest compute 7075 load 0.036252 is 18.5% of average load 0.196142 LDB: Average compute 0.004398 is 2.2% of average load 0.196142 LDB: TIME 13347.4 LOAD: AVG 0.196142 MAX 0.217361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 13347.4 LOAD: AVG 0.196142 MAX 0.217361 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 13347.4 LOAD: AVG 0.196142 MAX 0.217361 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 13347.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13347.4 PRESSURE: 4196400 69.9819 -171.807 -9.57742 -171.807 -229.092 -151.44 -9.57742 -151.44 139.212 GPRESSURE: 4196400 189.604 -147.392 -45.1875 -106.581 -255.799 -125.228 56.2536 -132.264 120.566 PRESSAVG: 4196400 21.818 -37.5656 46.9412 -37.5655 -43.2468 5.80735 46.9412 5.80742 10.6278 GPRESSAVG: 4196400 22.0874 -37.9863 46.8319 -36.8131 -42.8972 4.70714 46.752 3.75893 10.6452 TIMING: 4196400 CPU: 13335.3, 0.00323381/step Wall: 13335.3, 0.00323381/step, 0.721858 hours remaining, 238.867188 MB of memory in use. ENERGY: 4196400 3974.3740 20663.0544 14397.9879 258.7675 -203079.9154 2584.2880 0.0000 0.0000 51923.0646 -109278.3791 298.4026 -161201.4437 -108918.6260 299.7431 -6.6327 18.1240 762369.9311 -3.6003 -3.3882 PRESSURE: 4196600 132.889 -171.537 9.12703 -171.536 -7.03639 67.3439 9.12615 67.344 139.539 GPRESSURE: 4196600 88.444 -102.939 114.202 -77.1039 68.5582 60.7693 -53.965 152.1 175.581 PRESSAVG: 4196600 -2.93088 -56.553 10.5946 -56.5531 -6.68291 13.1791 10.5946 13.1791 -2.25726 GPRESSAVG: 4196600 -3.69886 -57.2897 9.23385 -57.0299 -6.00731 13.0105 11.1927 14.4243 -2.36652 TIMING: 4196600 CPU: 13336, 0.00317158/step Wall: 13336, 0.00317158/step, 0.707792 hours remaining, 239.070312 MB of memory in use. ENERGY: 4196600 3962.5992 20624.2478 14450.9730 250.8467 -203448.8150 2784.3280 0.0000 0.0000 52096.4643 -109279.3561 299.3991 -161375.8204 -108922.3485 299.3016 88.4638 110.8611 763174.7671 -3.9570 -4.0242 PRESSURE: 4196800 251.795 29.6018 143.637 29.6004 -342.333 -261.119 143.637 -261.117 146.641 GPRESSURE: 4196800 139.651 77.282 183.942 -80.0005 -192.142 -215.218 114.58 -185.646 196.702 PRESSAVG: 4196800 33.7148 -42.8372 11.4901 -42.8372 -74.9111 20.1691 11.49 20.169 -15.6528 GPRESSAVG: 4196800 33.5497 -38.8976 11.7833 -43.2862 -73.8757 20.8289 12.5383 21.6488 -16.254 TIMING: 4196800 CPU: 13336.6, 0.00316693/step Wall: 13336.6, 0.00316693/step, 0.706577 hours remaining, 239.070312 MB of memory in use. ENERGY: 4196800 3967.8701 20455.0353 14370.3492 239.3081 -203418.9189 2675.4892 0.0000 0.0000 52229.7977 -109481.0692 300.1654 -161710.8669 -109113.7301 299.3559 18.7011 48.0701 760356.1672 -18.9497 -18.8600 PRESSURE: 4197000 -131.558 -180.883 286.784 -180.883 84.1501 34.6402 286.784 34.64 10.1221 GPRESSURE: 4197000 -22.9758 -85.9056 282.798 -289.962 -33.5017 18.0601 179.098 4.61229 93.2369 PRESSAVG: 4197000 -1.50165 -52.5729 18.1457 -52.5729 35.3255 -51.1141 18.1457 -51.1141 5.08983 GPRESSAVG: 4197000 -0.229952 -55.5218 18.8139 -53.7809 33.4165 -52.9837 15.4464 -50.356 6.3679 TIMING: 4197000 CPU: 13337.2, 0.00315928/step Wall: 13337.2, 0.00315928/step, 0.704695 hours remaining, 239.070312 MB of memory in use. ENERGY: 4197000 3972.7459 20500.8263 14360.0128 247.7710 -203150.0523 2539.7473 0.0000 0.0000 52017.6001 -109511.3488 298.9459 -161528.9490 -109141.7600 299.5163 -12.4286 12.2532 761264.9846 12.9712 13.1848 PRESSURE: 4197200 -169.392 44.3459 -7.53776 44.3468 92.4188 203.049 -7.53865 203.049 109.892 GPRESSURE: 4197200 -154.71 91.5696 23.8808 10.7647 264.822 182.403 43.1517 179.837 13.4854 PRESSAVG: 4197200 -37.1511 -10.666 -7.71097 -10.666 51.4364 -7.21436 -7.71101 -7.21429 7.19909 GPRESSAVG: 4197200 -37.8437 -8.10473 -8.9854 -9.04013 52.6111 -5.78365 -4.75863 -8.32237 6.84096 TIMING: 4197200 CPU: 13337.9, 0.00315617/step Wall: 13337.9, 0.00315617/step, 0.703825 hours remaining, 239.070312 MB of memory in use. ENERGY: 4197200 3970.9536 20431.9676 14441.3090 259.4832 -203474.1589 2839.9491 0.0000 0.0000 52029.0461 -109501.4503 299.0116 -161530.4964 -109146.2151 299.3084 10.9731 41.1993 759533.5661 7.1614 7.2028 PRESSURE: 4197400 -146.23 -87.6167 106.99 -87.6171 60.657 9.52549 106.99 9.52471 151.728 GPRESSURE: 4197400 -25.1288 -42.2709 142.458 -103.712 33.2325 -68.6333 14.4649 45.3348 163.577 PRESSAVG: 4197400 6.51359 8.23891 59.2312 8.2389 -46.9547 18.0442 59.2312 18.0443 1.01318 GPRESSAVG: 4197400 7.60702 5.43883 57.8111 8.08398 -47.9865 16.9447 60.2186 17.972 0.647642 TIMING: 4197400 CPU: 13338.5, 0.00318279/step Wall: 13338.5, 0.00318279/step, 0.709584 hours remaining, 239.070312 MB of memory in use. ENERGY: 4197400 4063.1317 20558.5162 14469.8322 263.7176 -203548.9744 2525.7515 0.0000 0.0000 52081.4889 -109586.5364 299.3130 -161668.0253 -109238.9321 299.1623 22.0517 57.2270 760817.1095 -13.1426 -13.2440 PRESSURE: 4197600 -92.5648 2.58019 62.7902 2.58173 -113.636 13.9631 62.7894 13.9633 -356.477 GPRESSURE: 4197600 -58.6737 -39.198 95.4107 44.2985 -23.422 69.0367 93.3922 -112.508 -373.334 PRESSAVG: 4197600 -19.0577 -6.36267 38.3397 -6.36265 -3.90596 17.8153 38.3397 17.8154 1.6691 GPRESSAVG: 4197600 -20.2673 -7.24228 40.4279 -4.09628 -3.23277 19.8901 35.6584 16.6187 2.07499 TIMING: 4197600 CPU: 13339.1, 0.00316422/step Wall: 13339.1, 0.00316422/step, 0.705269 hours remaining, 239.070312 MB of memory in use. ENERGY: 4197600 4029.1614 20696.7646 14395.5028 255.1391 -203098.2089 2450.7659 0.0000 0.0000 51861.5535 -109409.3216 298.0491 -161270.8751 -109047.6761 299.0920 -187.5593 -151.8099 761142.2650 -7.0982 -7.1417 PRESSURE: 4197800 -118.96 25.3157 -27.8872 25.316 -196.331 -115.603 -27.8873 -115.605 -42.6746 GPRESSURE: 4197800 -186.936 64.0477 -42.195 -45.0624 -57.9383 -130.449 -87.0325 35.4692 -33.9641 PRESSAVG: 4197800 -22.5807 -48.3161 -29.8845 -48.3161 22.6562 52.9004 -29.8846 52.9004 -17.3677 GPRESSAVG: 4197800 -22.6394 -47.2135 -29.2957 -51.7274 22.6084 52.817 -28.5936 53.8606 -17.656 TIMING: 4197800 CPU: 13339.8, 0.00316744/step Wall: 13339.8, 0.00316744/step, 0.705812 hours remaining, 239.070312 MB of memory in use. ENERGY: 4197800 4021.3726 20491.3736 14396.1744 247.2057 -203249.0293 2457.0489 0.0000 0.0000 52142.2965 -109493.5576 299.6625 -161635.8541 -109125.5611 299.4561 -119.3217 -92.9461 761589.1438 -5.7641 -5.8956 PRESSURE: 4198000 266.643 -104.892 144.114 -104.893 143.973 50.5659 144.113 50.566 599.059 GPRESSURE: 4198000 298.077 -35.6011 137.256 -50.9475 121.284 114.536 74.9112 52.1711 674.909 PRESSAVG: 4198000 45.0869 10.4152 70.7678 10.4152 -3.57176 46.7149 70.7678 46.7149 -5.55048 GPRESSAVG: 4198000 43.6012 9.17426 69.2222 12.8866 -2.7426 48.9313 69.6776 45.6304 -5.23846 TIMING: 4198000 CPU: 13340.4, 0.00317373/step Wall: 13340.4, 0.00317372/step, 0.707035 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4198000 3917.0105 20644.3566 14355.9289 268.2158 -203599.3738 2883.3454 0.0000 0.0000 51907.8691 -109622.6475 298.3152 -161530.5166 -109261.9725 298.9218 336.5581 364.7566 760296.1219 11.9882 11.8734 PRESSURE: 4198200 381.347 98.0605 142.041 98.0604 38.9358 20.7444 142.041 20.7447 -262.509 GPRESSURE: 4198200 441.588 -3.3191 186.22 148.371 16.9088 61.2462 67.2165 63.7037 -205.124 PRESSAVG: 4198200 15.9305 -10.6623 34.677 -10.6624 1.25739 11.3657 34.677 11.3657 1.05759 GPRESSAVG: 4198200 17.8728 -9.00407 35.6779 -12.3215 -0.30641 7.8208 34.3935 13.1279 0.73348 TIMING: 4198200 CPU: 13341, 0.00318484/step Wall: 13341, 0.00318484/step, 0.709335 hours remaining, 239.070312 MB of memory in use. ENERGY: 4198200 3947.5426 20649.2162 14419.7681 263.3720 -203741.4270 2616.6440 0.0000 0.0000 52069.1054 -109775.7787 299.2419 -161844.8841 -109400.7713 299.0393 52.5910 84.4575 759986.1468 6.0818 6.1000 PRESSURE: 4198400 25.7081 -66.2213 153.77 -66.2207 106.684 34.5146 153.77 34.5151 -38.886 GPRESSURE: 4198400 58.8626 7.83919 26.9775 -10.512 113.508 21.4471 140.6 38.4446 3.56257 PRESSAVG: 4198400 -13.7614 -59.3026 26.8913 -59.3026 23.058 36.1002 26.8913 36.1001 9.16753 GPRESSAVG: 4198400 -14.585 -58.3896 24.9445 -58.997 23.9716 36.6236 28.4962 35.8501 9.48969 TIMING: 4198400 CPU: 13341.7, 0.00321841/step Wall: 13341.7, 0.00321841/step, 0.716632 hours remaining, 239.070312 MB of memory in use. ENERGY: 4198400 3955.9050 20722.2509 14389.9014 237.6215 -204013.8628 2764.7952 0.0000 0.0000 51906.3565 -110037.0324 298.3065 -161943.3889 -109678.7517 298.7152 31.1686 58.6445 759829.1614 6.1547 6.2921 PRESSURE: 4198600 -188.852 -62.0137 -66.0448 -62.0137 -357.736 -49.4102 -66.045 -49.4098 28.9514 GPRESSURE: 4198600 -224.061 -95.5752 -101.115 -57.6154 -272.553 -100.998 10.5548 -79.1432 51.7158 PRESSAVG: 4198600 -6.15331 -48.6361 21.9221 -48.6361 -3.88971 42.7259 21.9221 42.7259 10.3532 GPRESSAVG: 4198600 -7.11743 -50.3157 24.7569 -48.8586 -2.96699 41.7074 19.6319 41.9761 10.8646 TIMING: 4198600 CPU: 13342.3, 0.00318042/step Wall: 13342.3, 0.00318042/step, 0.707996 hours remaining, 239.070312 MB of memory in use. ENERGY: 4198600 4006.4004 20764.7373 14396.4034 243.8809 -203531.7966 2335.5818 0.0000 0.0000 51751.4389 -110033.3539 297.4162 -161784.7929 -109671.7515 298.4617 -172.5455 -148.2992 761993.3588 0.1034 0.2601 PRESSURE: 4198800 185.928 118.195 -0.555838 118.194 206.385 14.9383 -0.555679 14.9384 364.599 GPRESSURE: 4198800 214.092 94.5842 86.4233 154.748 180.397 32.8755 -61.2896 9.86051 425.95 PRESSAVG: 4198800 -26.7433 -33.7627 -21.6006 -33.7628 16.8957 12.3067 -21.6006 12.3067 -1.91972 GPRESSAVG: 4198800 -24.9787 -31.5333 -23.4284 -33.4874 15.6617 13.3317 -20.4894 13.8114 -2.40512 TIMING: 4198800 CPU: 13343, 0.00318419/step Wall: 13343, 0.00318419/step, 0.70866 hours remaining, 239.070312 MB of memory in use. ENERGY: 4198800 4001.8622 20688.1377 14313.7609 255.4945 -204032.0874 2770.3838 0.0000 0.0000 51914.8172 -110087.6311 298.3552 -162002.4483 -109720.3766 298.1741 252.3038 273.4796 759429.6526 -3.9224 -3.9074 PRESSURE: 4199000 22.9295 -129.663 122.664 -129.664 69.0703 -46.5178 122.664 -46.5186 40.8646 GPRESSURE: 4199000 45.7926 -175.494 13.9514 -84.6294 187.713 -17.5561 41.1248 19.1101 -30.2578 PRESSAVG: 4199000 -17.5881 -35.6081 28.1212 -35.6081 23.8082 26.4016 28.1212 26.4016 18.791 GPRESSAVG: 4199000 -18.7128 -37.9074 28.4077 -35.4496 24.0818 23.9387 26.7971 27.4972 19.5389 TIMING: 4199000 CPU: 13343.6, 0.0031971/step Wall: 13343.6, 0.0031971/step, 0.711355 hours remaining, 239.070312 MB of memory in use. ENERGY: 4199000 3995.3408 20561.1459 14376.9801 252.6378 -204079.3441 2864.6041 0.0000 0.0000 51858.1097 -110170.5256 298.0293 -162028.6354 -109809.7874 298.2164 44.2881 67.7492 759364.2654 8.3370 8.3026 PRESSURE: 4199200 -349.243 -2.89291 -96.4008 -2.89309 -232.092 118.175 -96.4007 118.175 -165.59 GPRESSURE: 4199200 -341.269 -31.3676 -18.891 -56.8779 -116.964 119.117 -76.3525 118.553 -212.396 PRESSAVG: 4199200 4.74476 -28.2776 53.6917 -28.2776 24.9212 48.2114 53.6917 48.2114 5.54514 GPRESSAVG: 4199200 6.28351 -28.1692 53.9689 -29.258 25.4476 49.1861 54.5471 47.1674 4.28778 TIMING: 4199200 CPU: 13344.2, 0.00320023/step Wall: 13344.2, 0.00320023/step, 0.711874 hours remaining, 239.070312 MB of memory in use. ENERGY: 4199200 4018.8774 20576.8379 14354.3795 241.8018 -203776.5656 2471.0579 0.0000 0.0000 51972.4558 -110141.1551 298.6864 -162113.6110 -109776.1064 298.2018 -248.9753 -223.5432 760431.7927 11.7370 12.0063 PRESSURE: 4199400 -640.11 21.7707 -134.499 21.7699 -184.171 -113.701 -134.5 -113.701 49.7526 GPRESSURE: 4199400 -573.514 24.5369 -221.293 -13.6363 -187.796 -74.9062 -92.5844 -113.252 89.0116 PRESSAVG: 4199400 -56.0616 -32.5133 4.98631 -32.5132 38.4782 -30.6925 4.98635 -30.6925 -20.9024 GPRESSAVG: 4199400 -57.3448 -32.131 5.22965 -31.5589 39.1536 -28.9627 5.9117 -32.6381 -19.7894 TIMING: 4199400 CPU: 13344.9, 0.00317559/step Wall: 13344.9, 0.00317559/step, 0.706215 hours remaining, 239.070312 MB of memory in use. ENERGY: 4199400 3999.8066 20518.8045 14361.0297 230.8200 -203666.7695 2554.7669 0.0000 0.0000 51844.3801 -110157.1617 297.9504 -162001.5418 -109788.6557 298.1628 -258.1761 -224.0993 759637.3152 -12.8286 -12.6602 PRESSURE: 4199600 28.5396 24.7173 -46.142 24.7174 347.072 -231.468 -46.1421 -231.468 137.601 GPRESSURE: 4199600 137.365 -2.91813 -24.165 12.2184 331.69 -239.984 -70.5115 -225.125 151.682 PRESSAVG: 4199600 -58.8163 -19.8009 39.0363 -19.8009 23.5504 17.6883 39.0362 17.6883 3.11786 GPRESSAVG: 4199600 -57.7035 -20.3141 38.0124 -20.91 23.4669 17.4772 38.6667 20.0891 2.7929 TIMING: 4199600 CPU: 13345.5, 0.00319617/step Wall: 13345.5, 0.00319617/step, 0.710615 hours remaining, 239.070312 MB of memory in use. ENERGY: 4199600 3970.9327 20598.5490 14353.0081 257.5014 -204132.0516 2720.6464 0.0000 0.0000 52100.1316 -110131.2824 299.4202 -162231.4141 -109757.5607 297.9220 171.0706 206.9126 758012.9892 -10.7160 -10.4812 PRESSURE: 4199800 -110.524 -261.149 139.227 -261.149 -129.078 56.1257 139.228 56.1257 104.163 GPRESSURE: 4199800 -103.368 -234.376 70.6142 -176.502 -86.7913 -45.6528 -35.1538 132.808 122.981 PRESSAVG: 4199800 -15.1474 -19.0724 -2.91676 -19.0724 24.8637 41.0127 -2.91675 41.0127 -0.782853 GPRESSAVG: 4199800 -16.8476 -21.6088 -3.30104 -16.4344 25.0436 40.1677 -2.2597 39.3953 0.0945473 TIMING: 4199800 CPU: 13346.2, 0.00322848/step Wall: 13346.2, 0.00322848/step, 0.71762 hours remaining, 239.070312 MB of memory in use. ENERGY: 4199800 3915.9606 20393.0684 14420.2945 244.8662 -203740.5930 2392.7956 0.0000 0.0000 52119.4923 -110254.1155 299.5314 -162373.6077 -109870.6911 298.0582 -45.1465 -22.3928 759453.4234 2.9778 2.7635 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4200000 -92.5052 82.097 -132.106 82.0975 55.6454 54.9394 -132.107 54.9384 -61.77 GPRESSURE: 4200000 -84.5859 24.9841 -143.676 73.2328 97.0044 16.7613 -150.616 94.0692 -11.2236 PRESSAVG: 4200000 21.1041 -41.0462 -50.9919 -41.0462 18.5419 24.4486 -50.9919 24.4486 -3.17457 GPRESSAVG: 4200000 23.1814 -38.0472 -51.3423 -42.5955 17.9978 24.6994 -49.7832 24.2257 -4.65837 TIMING: 4200000 CPU: 13346.8, 0.00333479/step Wall: 13346.8, 0.00333479/step, 0.741064 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4200000 4005.3676 20548.9386 14439.4405 217.9946 -203871.9086 2654.6007 0.0000 0.0000 51838.7932 -110166.7734 297.9183 -162005.5666 -109801.8201 297.8486 -32.8766 0.3983 761011.7912 12.1571 12.1736 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 -273.326 -121.11 -83.1134 -121.11 -127.464 96.6251 -83.1144 96.6236 -70.8118 GPRESSURE: 4200200 -210.588 -120.12 -77.4957 -69.9356 -147.364 136.174 -87.8226 97.0868 -17.1403 PRESSAVG: 4200200 -13.664 -16.778 -26.0725 -16.7779 5.93204 21.8554 -26.0725 21.8553 -4.29808 GPRESSAVG: 4200200 -15.7476 -17.6973 -26.7524 -16.4739 6.51797 22.7471 -28.6565 21.5315 -2.46262 TIMING: 4200200 CPU: 13347.5, 0.00325593/step Wall: 13347.5, 0.00325593/step, 0.723359 hours remaining, 239.195312 MB of memory in use. ENERGY: 4200200 4077.5314 20573.3791 14341.2136 246.0926 -204238.8853 2743.1183 0.0000 0.0000 51961.9681 -110295.5822 298.6261 -162257.5504 -109924.9146 297.8131 -157.2006 -125.0307 760125.1142 -4.0100 -3.8974 LDB: ============= START OF LOAD BALANCING ============== 13359.9 LDB: ============== END OF LOAD BALANCING =============== 13359.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13359.9 LDB: ============= START OF LOAD BALANCING ============== 13360.2 LDB: Largest compute 7075 load 0.038412 is 19.6% of average load 0.195909 LDB: Average compute 0.004408 is 2.3% of average load 0.195909 LDB: TIME 13360.2 LOAD: AVG 0.195909 MAX 0.216767 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13360.2 LOAD: AVG 0.195909 MAX 0.216767 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: TIME 13360.2 LOAD: AVG 0.195909 MAX 0.216767 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: ============== END OF LOAD BALANCING =============== 13360.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13360.2 PRESSURE: 4200400 176.012 15.2277 20.9365 15.2274 149.26 213.747 20.9363 213.747 54.2523 GPRESSURE: 4200400 134.355 -4.05297 -37.241 103.025 228.868 130.369 50.5676 93.6024 93.9585 PRESSAVG: 4200400 4.76858 -43.7801 -29.829 -43.7802 -12.3498 -18.7121 -29.829 -18.7121 -4.22186 GPRESSAVG: 4200400 5.37025 -43.3791 -28.8663 -44.0343 -11.9027 -18.2907 -28.8061 -18.6539 -5.0974 TIMING: 4200400 CPU: 13348.1, 0.00328971/step Wall: 13348.1, 0.00328971/step, 0.730681 hours remaining, 239.125000 MB of memory in use. ENERGY: 4200400 4008.7153 20521.5282 14424.5780 259.8811 -204169.2684 2735.9303 0.0000 0.0000 51753.9989 -110464.6365 297.4309 -162218.6354 -110101.7421 297.8080 126.5080 152.3937 759059.9016 -3.9344 -3.8766 PRESSURE: 4200600 -419.144 -20.2015 184.47 -20.2011 -137.645 -137.952 184.469 -137.951 61.3805 GPRESSURE: 4200600 -423.842 28.0677 209.263 -97.7549 -66.8925 -104.833 204.775 -157.679 88.4218 PRESSAVG: 4200600 22.8686 -24.6549 -17.3965 -24.6549 20.363 21.09 -17.3965 21.09 -7.7685 GPRESSAVG: 4200600 22.291 -24.9777 -17.4263 -25.875 19.9314 21.0136 -17.8982 22.1212 -6.19929 TIMING: 4200600 CPU: 13348.8, 0.00319546/step Wall: 13348.8, 0.00319546/step, 0.709569 hours remaining, 239.191406 MB of memory in use. ENERGY: 4200600 3890.4419 20599.5769 14425.8364 239.0004 -203395.9442 2239.5730 0.0000 0.0000 51724.1596 -110277.3559 297.2595 -162001.5156 -109909.1449 297.7990 -165.1360 -134.1042 759709.2678 11.8210 12.0077 PRESSURE: 4200800 23.5826 79.7285 -98.5039 79.7277 -111.209 -64.5506 -98.5044 -64.552 -151.207 GPRESSURE: 4200800 66.8884 38.7884 -130.517 53.4829 -114.046 -24.3391 27.299 -59.528 -119.8 PRESSAVG: 4200800 -24.5754 9.37055 -49.416 9.37049 21.7786 17.6697 -49.416 17.6697 3.38815 GPRESSAVG: 4200800 -24.2971 10.4176 -49.8208 8.70214 21.7157 17.1156 -49.6646 17.1734 2.98287 TIMING: 4200800 CPU: 13349.4, 0.00320393/step Wall: 13349.4, 0.00320393/step, 0.711272 hours remaining, 239.191406 MB of memory in use. ENERGY: 4200800 3947.0456 20467.9199 14459.6521 255.0388 -204243.7626 2863.9678 0.0000 0.0000 52217.7533 -110032.3851 300.0961 -162250.1384 -109676.1278 298.4533 -79.6113 -55.6523 760100.1143 0.1971 0.1338 PRESSURE: 4201000 -203.801 -36.6982 57.3307 -36.6991 -12.2046 -74.125 57.3311 -74.1239 -88.9864 GPRESSURE: 4201000 -161.83 -42.9802 14.9627 64.6339 -50.0453 -123.608 89.2039 -95.8139 -6.04005 PRESSAVG: 4201000 -18.1138 -38.4658 -22.4524 -38.4659 -20.2919 4.85923 -22.4524 4.85917 -1.95832 GPRESSAVG: 4201000 -16.7312 -40.2081 -23.6097 -38.5706 -20.8094 2.91189 -20.1053 7.24634 -2.34781 TIMING: 4201000 CPU: 13350.1, 0.00321007/step Wall: 13350.1, 0.00321007/step, 0.712458 hours remaining, 239.191406 MB of memory in use. ENERGY: 4201000 3920.2109 20520.2112 14427.5546 246.0108 -203697.1985 2575.2651 0.0000 0.0000 52000.6085 -110007.3373 298.8482 -162007.9458 -109645.7987 298.4428 -101.6641 -72.6385 759654.2007 -13.4547 -13.2961 PRESSURE: 4201200 -285.623 -147.471 143.035 -147.471 0.790095 -168.698 143.036 -168.698 482.581 GPRESSURE: 4201200 -133.73 -48.4044 185.454 14.392 12.1883 -174.625 158.891 -148.617 409.352 PRESSAVG: 4201200 -11.8916 -5.03463 -40.1282 -5.03462 43.0368 82.9137 -40.1282 82.9137 31.4176 GPRESSAVG: 4201200 -13.1436 -3.7961 -38.9633 -3.85526 43.5142 84.1681 -42.3171 80.7307 32.2552 TIMING: 4201200 CPU: 13350.7, 0.00321478/step Wall: 13350.7, 0.00321478/step, 0.713324 hours remaining, 239.191406 MB of memory in use. ENERGY: 4201200 4024.6661 20466.6312 14414.6876 261.2604 -203656.6668 2657.7011 0.0000 0.0000 51946.4051 -109885.3154 298.5367 -161831.7205 -109527.8260 298.3313 65.9160 95.9370 760665.3045 20.8543 20.8753 PRESSURE: 4201400 -371.277 106.712 -80.5503 106.711 131.305 -32.3171 -80.5505 -32.3174 16.8577 GPRESSURE: 4201400 -231.242 140.282 -33.3776 82.9249 47.7857 -32.7784 -82.0076 66.3336 22.8052 PRESSAVG: 4201400 -4.82934 -34.0258 7.77462 -34.0259 -13.9403 45.6016 7.77462 45.6017 4.14003 GPRESSAVG: 4201400 -3.52642 -35.4781 7.29161 -34.2951 -14.2954 45.0485 10.1726 46.5395 2.83115 TIMING: 4201400 CPU: 13351.3, 0.00317348/step Wall: 13351.3, 0.00317348/step, 0.703983 hours remaining, 239.191406 MB of memory in use. ENERGY: 4201400 3930.2924 20538.2165 14414.7244 243.8192 -203591.9470 2693.8721 0.0000 0.0000 51940.9380 -109830.0844 298.5053 -161771.0224 -109467.6824 298.3929 -74.3713 -53.5502 762617.8771 -4.8765 -4.9969 PRESSURE: 4201600 -216.787 -17.4897 17.7028 -17.4904 250.404 148.956 17.7028 148.956 -387.97 GPRESSURE: 4201600 -205.409 -111.901 99.0027 -2.56929 280.297 70.8853 -109.888 106.593 -332.725 PRESSAVG: 4201600 27.0845 16.3108 -52.6645 16.3108 -2.52892 31.6829 -52.6645 31.6829 -17.1046 GPRESSAVG: 4201600 26.239 16.7671 -50.3445 17.0199 -1.2526 32.4923 -54.9777 32.7072 -17.6122 TIMING: 4201600 CPU: 13352, 0.00319363/step Wall: 13352, 0.00319363/step, 0.708275 hours remaining, 239.191406 MB of memory in use. ENERGY: 4201600 3981.6941 20414.0914 14416.8469 251.0695 -203614.7668 2877.3986 0.0000 0.0000 51937.8654 -109735.8008 298.4876 -161673.6662 -109371.6888 298.6460 -118.1178 -85.9454 761945.8357 2.4837 2.4581 PRESSURE: 4201800 -48.1003 60.1277 214.029 60.1275 -11.5182 -76.2443 214.029 -76.2439 -120.648 GPRESSURE: 4201800 -8.72458 2.00037 188.225 8.31533 3.10299 -129.852 153.131 42.2441 -92.3512 PRESSAVG: 4201800 18.6337 -16.7353 -26.5703 -16.7352 9.98696 -13.3745 -26.5703 -13.3746 8.95078 GPRESSAVG: 4201800 18.4743 -15.9256 -29.4297 -17.4616 9.05484 -15.127 -25.6681 -14.0142 10.4614 TIMING: 4201800 CPU: 13352.6, 0.00319491/step Wall: 13352.6, 0.00319491/step, 0.708382 hours remaining, 239.191406 MB of memory in use. ENERGY: 4201800 4001.4276 20312.7238 14426.8853 251.0777 -203352.6109 2580.0520 0.0000 0.0000 51933.1870 -109847.2575 298.4607 -161780.4445 -109479.5793 298.9269 -60.0890 -32.6576 761548.9010 12.5238 12.6635 PRESSURE: 4202000 -174.14 -310.26 -10.6206 -310.26 299.865 -121.184 -10.6207 -121.183 -177.216 GPRESSURE: 4202000 -88.912 -256.963 41.4764 -316.544 255.649 -83.235 -116.652 -22.3826 -142.535 PRESSAVG: 4202000 1.87175 -37.207 -9.07082 -37.207 -35.4081 9.94525 -9.07085 9.94524 9.58111 GPRESSAVG: 4202000 1.00778 -37.8796 -8.46418 -38.2162 -34.4722 12.5269 -9.59597 8.66102 9.01083 TIMING: 4202000 CPU: 13353.3, 0.00329626/step Wall: 13353.3, 0.00329626/step, 0.730672 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4202000 4012.3090 20553.5326 14394.0566 234.5203 -203418.3298 2584.1352 0.0000 0.0000 51868.1122 -109771.6639 298.0868 -161639.7762 -109419.7090 298.4746 -17.1636 8.0674 760706.6890 -7.9851 -8.1512 PRESSURE: 4202200 -204.857 -124.491 -16.0869 -124.491 -246.034 76.6823 -16.0876 76.6819 81.494 GPRESSURE: 4202200 -114.286 -117.305 -17.2387 -161.693 -267.893 72.1081 50.7102 95.4259 123.608 PRESSAVG: 4202200 23.7652 -73.6282 6.50649 -73.6282 -47.6624 57.4483 6.5064 57.4484 2.37135 GPRESSAVG: 4202200 24.84 -73.4212 7.42677 -71.541 -47.8269 56.2926 4.90433 58.0659 1.75767 TIMING: 4202200 CPU: 13353.9, 0.0032113/step Wall: 13353.9, 0.0032113/step, 0.711661 hours remaining, 239.191406 MB of memory in use. ENERGY: 4202200 3922.4502 20380.7795 14394.4069 247.7673 -203299.9741 2248.6685 0.0000 0.0000 52132.5233 -109973.3785 299.6063 -162105.9018 -109611.5693 298.7131 -123.1324 -86.1901 761360.5629 -7.1753 -7.0764 PRESSURE: 4202400 -56.959 31.6722 58.1855 31.6724 64.7908 -40.3204 58.1861 -40.3192 -56.8983 GPRESSURE: 4202400 61.2398 -78.462 109.597 -39.9788 131.686 22.006 54.102 15.1876 -132.198 PRESSAVG: 4202400 27.253 -47.5587 39.2922 -47.5587 -36.7668 21.3123 39.2922 21.3123 -15.7486 GPRESSAVG: 4202400 26.6865 -49.7333 39.9985 -48.5316 -36.3717 21.2069 41.8923 21.2476 -15.6082 TIMING: 4202400 CPU: 13354.6, 0.00330779/step Wall: 13354.6, 0.00330779/step, 0.732859 hours remaining, 239.191406 MB of memory in use. ENERGY: 4202400 3936.8045 20533.5240 14409.6475 262.2304 -203410.2357 2581.0241 0.0000 0.0000 51898.6815 -109788.3237 298.2624 -161687.0053 -109430.0479 298.7773 -16.3555 20.2425 760449.5132 -8.4208 -8.4312 PRESSURE: 4202600 -83.9193 69.9558 -45.166 69.9555 202.103 284.374 -45.1653 284.374 156.276 GPRESSURE: 4202600 -23.7696 146.896 1.55392 61.3839 248.232 326.267 -102.75 232.268 149.322 PRESSAVG: 4202600 -12.0535 2.14441 9.36499 2.14443 -24.8468 44.0102 9.36494 44.0102 -0.782184 GPRESSAVG: 4202600 -11.4494 4.48779 7.14811 1.58638 -24.886 44.9336 8.81386 40.7425 -1.0303 TIMING: 4202600 CPU: 13355.2, 0.00332118/step Wall: 13355.2, 0.00332118/step, 0.735642 hours remaining, 239.191406 MB of memory in use. ENERGY: 4202600 3968.9051 20348.2603 14405.2312 246.8160 -203691.8417 2879.2468 0.0000 0.0000 51988.3276 -109855.0546 298.7776 -161843.3822 -109487.3582 298.7435 91.4865 124.5949 760607.5202 -12.5608 -12.4552 PRESSURE: 4202800 -47.0034 141.489 -63.5063 141.489 206.671 170.032 -63.5075 170.032 356.56 GPRESSURE: 4202800 72.8731 18.511 -113.672 146.904 197.628 203.416 -32.4254 257.729 309.975 PRESSAVG: 4202800 2.89759 -26.9486 16.6696 -26.9486 -40.3799 61.1477 16.6695 61.1477 -8.29648 GPRESSAVG: 4202800 2.93783 -24.8313 17.6512 -28.6916 -40.013 62.5879 16.1016 61.0965 -9.06998 TIMING: 4202800 CPU: 13355.9, 0.00321163/step Wall: 13355.9, 0.00321163/step, 0.711197 hours remaining, 239.191406 MB of memory in use. ENERGY: 4202800 3844.1902 20514.8645 14384.5171 221.5262 -203232.7112 2273.2892 0.0000 0.0000 52091.1281 -109903.1959 299.3684 -161994.3240 -109536.3826 298.4777 172.0758 193.4920 762160.1867 -15.2596 -15.3817 PRESSURE: 4203000 152.973 132.369 -10.9906 132.37 -88.1118 -77.6267 -10.9908 -77.6268 -353.711 GPRESSURE: 4203000 177.326 94.7988 37.4815 22.8767 -102.216 -157.633 -198.877 -181.446 -273.107 PRESSAVG: 4203000 -2.774 60.9765 -16.428 60.9765 13.805 -6.79859 -16.4279 -6.7986 20.9745 GPRESSAVG: 4203000 -1.3108 57.6132 -16.6761 62.1524 12.5938 -6.69962 -17.5379 -4.48229 21.4969 TIMING: 4203000 CPU: 13356.5, 0.003333/step Wall: 13356.5, 0.003333/step, 0.737889 hours remaining, 239.191406 MB of memory in use. ENERGY: 4203000 4049.6984 20506.8527 14345.1953 245.4052 -203451.5600 2589.0401 0.0000 0.0000 51807.1389 -109908.2294 297.7363 -161715.3682 -109555.7502 297.8743 -96.2834 -65.9991 763552.6212 10.6685 10.9266 PRESSURE: 4203200 213.695 -176.82 185.367 -176.819 66.6031 227.876 185.368 227.875 291.195 GPRESSURE: 4203200 164.033 -166.361 220.201 -170.069 147.211 167.888 54.3194 246.448 364.472 PRESSAVG: 4203200 41.6994 2.36616 -14.3054 2.36618 -49.6959 7.6669 -14.3054 7.66699 -3.83225 GPRESSAVG: 4203200 40.1925 2.11445 -13.5567 2.43096 -48.4355 4.94401 -14.3655 6.61872 -3.48349 TIMING: 4203200 CPU: 13357.2, 0.00321367/step Wall: 13357.2, 0.00321367/step, 0.711293 hours remaining, 239.191406 MB of memory in use. ENERGY: 4203200 3869.1745 20384.9355 14371.1257 256.6327 -203309.7590 2497.1765 0.0000 0.0000 52114.1479 -109816.5661 299.5007 -161930.7141 -109455.3560 298.6093 190.4976 225.2388 763497.8482 -3.9429 -3.9088 PRESSURE: 4203400 298.781 15.9656 -124.721 15.9659 219.467 -30.8396 -124.722 -30.8385 301.988 GPRESSURE: 4203400 323.262 24.7472 -101.628 -2.28757 216.154 57.8498 -36.3813 -137.993 381.864 PRESSAVG: 4203400 1.04868 14.9517 11.314 14.9516 14.1777 13.4281 11.3141 13.428 -6.32118 GPRESSAVG: 4203400 0.55869 16.3495 10.207 15.0848 15.0328 14.9877 14.6302 13.2666 -6.7848 TIMING: 4203400 CPU: 13357.8, 0.00318466/step Wall: 13357.8, 0.00318466/step, 0.704695 hours remaining, 239.191406 MB of memory in use. ENERGY: 4203400 3926.3309 20341.0809 14402.6092 258.5173 -204017.8121 3062.8792 0.0000 0.0000 52451.8559 -109574.5385 301.4415 -162026.3944 -109191.5259 299.1589 273.4119 307.0934 759258.8506 2.9684 2.9356 PRESSURE: 4203600 -131.715 -60.0405 -155.4 -60.042 -140.485 257.6 -155.4 257.602 297.359 GPRESSURE: 4203600 -38.1941 5.11582 -124.508 -157.682 -161.155 287.906 -195.614 231.705 313.813 PRESSAVG: 4203600 -69.5198 -42.1915 34.545 -42.1914 62.3445 16.8465 34.5452 16.8465 10.4746 GPRESSAVG: 4203600 -68.2731 -40.6644 35.22 -42.6313 60.9796 17.7123 31.8646 18.4751 9.86911 TIMING: 4203600 CPU: 13358.5, 0.00316927/step Wall: 13358.5, 0.00316927/step, 0.701113 hours remaining, 239.191406 MB of memory in use. ENERGY: 4203600 4014.8492 20536.1765 14500.0345 247.7897 -203742.2442 2860.6526 0.0000 0.0000 52183.3942 -109399.3475 299.8987 -161582.7417 -109040.2973 299.6291 8.3864 38.1546 761225.3174 1.0998 0.8585 PRESSURE: 4203800 -162.333 -43.9413 29.6706 -43.9423 -145.84 -76.8482 29.6696 -76.847 -293.032 GPRESSURE: 4203800 -142.752 -55.0335 76.02 -115.618 -55.3854 -191.897 16.6562 -34.3901 -319.809 PRESSAVG: 4203800 -5.05793 -23.8527 -4.09195 -23.8527 9.52843 10.273 -4.09194 10.2731 23.1694 GPRESSAVG: 4203800 -7.25833 -26.3357 -3.22188 -24.7825 9.98998 9.48101 -2.9485 8.79032 24.0661 TIMING: 4203800 CPU: 13359.1, 0.00316448/step Wall: 13359.1, 0.00316448/step, 0.699877 hours remaining, 239.191406 MB of memory in use. ENERGY: 4203800 4023.7767 20550.5037 14460.6669 235.0154 -203229.6592 2730.4594 0.0000 0.0000 51951.6569 -109277.5803 298.5669 -161229.2372 -108923.8705 299.6068 -200.4020 -172.6488 761602.4309 9.2133 8.9326 PRESSURE: 4204000 -111.384 174.144 71.7079 174.143 275.691 41.4718 71.7081 41.4726 -24.3772 GPRESSURE: 4204000 44.5226 98.6306 131.04 161.599 179.147 -0.317478 67.4816 209.86 5.12925 PRESSAVG: 4204000 -32.5108 -24.5018 8.77841 -24.5018 -0.639847 -38.7199 8.77839 -38.72 -37.1768 GPRESSAVG: 4204000 -30.1425 -24.0075 6.92517 -22.48 -1.44123 -40.2958 9.39132 -37.4793 -38.1275 TIMING: 4204000 CPU: 13359.7, 0.00315318/step Wall: 13359.7, 0.00315318/step, 0.697203 hours remaining, 239.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4204000 3966.8457 20610.0967 14430.9466 262.0175 -203359.2448 2867.9396 0.0000 0.0000 52002.3900 -109219.0088 298.8585 -161221.3988 -108851.3556 299.5162 46.6431 76.2662 762067.0655 -23.4425 -23.2371 PRESSURE: 4204200 -51.917 -21.246 -40.1161 -21.2459 -18.7177 205.945 -40.1162 205.945 -320.348 GPRESSURE: 4204200 -77.7071 36.9302 -62.036 -116.795 77.4796 166.503 74.6254 161.535 -324.643 PRESSAVG: 4204200 7.12964 -50.2869 50.5229 -50.2869 -36.0869 34.3287 50.523 34.3287 -22.9535 GPRESSAVG: 4204200 4.11156 -50.1158 51.8969 -52.6837 -35.5909 35.5545 49.9563 34.4746 -20.8857 TIMING: 4204200 CPU: 13360.4, 0.00316799/step Wall: 13360.4, 0.00316799/step, 0.700302 hours remaining, 239.191406 MB of memory in use. ENERGY: 4204200 3955.5828 20670.4762 14471.0439 248.0390 -203000.1112 2407.7154 0.0000 0.0000 52132.7118 -109114.5421 299.6074 -161247.2539 -108757.8246 299.6548 -130.3277 -108.2902 761110.6651 -17.3036 -17.4550 LDB: ============= START OF LOAD BALANCING ============== 13372.8 LDB: ============== END OF LOAD BALANCING =============== 13372.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13372.8 LDB: ============= START OF LOAD BALANCING ============== 13373.1 LDB: Largest compute 7075 load 0.036045 is 18.4% of average load 0.195970 LDB: Average compute 0.004396 is 2.2% of average load 0.195970 LDB: TIME 13373.1 LOAD: AVG 0.19597 MAX 0.21756 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 13373.1 LOAD: AVG 0.19597 MAX 0.21756 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 13373.1 LOAD: AVG 0.19597 MAX 0.21756 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 13373.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13373.1 PRESSURE: 4204400 -88.2602 -28.1231 33.4682 -28.1232 191.692 12.9639 33.4686 12.9637 138.915 GPRESSURE: 4204400 0.652305 -62.8467 106.748 55.1161 179.735 -11.8626 10.5976 -104.898 164.608 PRESSAVG: 4204400 -7.38312 -21.8396 43.9813 -21.8396 22.7198 -15.3304 43.9813 -15.3303 13.1528 GPRESSAVG: 4204400 -6.30536 -19.7553 42.5193 -21.1319 22.0386 -16.8646 43.1969 -14.4377 12.6706 TIMING: 4204400 CPU: 13361, 0.00329193/step Wall: 13361, 0.00329193/step, 0.727516 hours remaining, 237.968750 MB of memory in use. ENERGY: 4204400 3906.1992 20615.0097 14471.4076 244.3981 -203359.1307 2823.5729 0.0000 0.0000 52166.2454 -109132.2977 299.8001 -161298.5431 -108755.8406 299.3754 80.7823 114.9984 762706.9706 9.4965 9.4679 PRESSURE: 4204600 -342.8 -94.275 273.402 -94.2754 -75.3674 127.107 273.401 127.105 -120.631 GPRESSURE: 4204600 -253.33 -134.987 266.458 -111.477 -137.488 127.191 194.926 0.290853 -80.7779 PRESSAVG: 4204600 -55.6667 -45.1384 46.805 -45.1385 8.09392 -14.3021 46.805 -14.3022 -10.1451 GPRESSAVG: 4204600 -56.3403 -47.4441 46.9134 -45.5302 10.0315 -13.1506 46.2872 -14.9567 -10.5479 TIMING: 4204600 CPU: 13361.7, 0.00319021/step Wall: 13361.7, 0.00319021/step, 0.70486 hours remaining, 237.968750 MB of memory in use. ENERGY: 4204600 3958.9895 20694.9448 14540.0404 267.8888 -203205.8437 2505.5258 0.0000 0.0000 52076.2170 -109162.2374 299.2827 -161238.4544 -108793.7366 299.8601 -179.5994 -157.1986 761611.1432 -19.2393 -18.9523 PRESSURE: 4204800 21.8707 -19.2446 -4.89128 -19.2439 -58.5796 87.5332 -4.89042 87.5339 -367.669 GPRESSURE: 4204800 -63.3685 8.65442 -59.661 -11.6946 83.945 118.983 -49.0756 125.08 -365.818 PRESSAVG: 4204800 -19.5747 -36.1402 -20.264 -36.1402 22.0569 -2.2115 -20.264 -2.21151 27.4431 GPRESSAVG: 4204800 -19.0348 -35.8759 -18.4929 -34.8185 20.9354 -2.00356 -19.6146 -1.76428 27.0715 TIMING: 4204800 CPU: 13362.3, 0.00320666/step Wall: 13362.3, 0.00320666/step, 0.708314 hours remaining, 237.968750 MB of memory in use. ENERGY: 4204800 3969.9613 20632.5637 14436.0238 245.4664 -203301.0821 2603.9180 0.0000 0.0000 52309.8183 -109103.3307 300.6252 -161413.1490 -108745.6291 299.6023 -134.7925 -115.0805 762354.1580 9.9751 9.6574 PRESSURE: 4205000 -312.483 -52.5607 228.571 -52.5605 -243.12 -41.5834 228.572 -41.5835 -332.289 GPRESSURE: 4205000 -256.944 -39.0044 281.352 -61.4548 -182.675 -89.9626 228.3 -39.4172 -344.239 PRESSAVG: 4205000 -6.2726 0.325582 -45.1576 0.325567 4.19803 -28.7493 -45.1576 -28.7492 -1.80492 GPRESSAVG: 4205000 -5.48437 1.24545 -45.5373 0.865884 2.904 -28.3259 -44.6888 -28.2674 -1.21243 TIMING: 4205000 CPU: 13362.9, 0.00318113/step Wall: 13362.9, 0.00318113/step, 0.702499 hours remaining, 237.968750 MB of memory in use. ENERGY: 4205000 3989.4170 20453.0000 14427.2019 233.3127 -202971.1123 2620.5239 0.0000 0.0000 52158.9524 -109088.7044 299.7582 -161247.6568 -108715.7585 299.6130 -295.9643 -261.2859 762369.8276 -1.2932 -1.2643 PRESSURE: 4205200 -219.225 143.242 -59.0583 143.242 135.762 -209.993 -59.0582 -209.991 -148.004 GPRESSURE: 4205200 -227.583 119.809 -41.5417 199.863 182.925 -239.679 -27.1903 -210.614 -115.699 PRESSAVG: 4205200 -58.3577 21.1382 11.5125 21.1382 57.0735 -57.4945 11.5125 -57.4946 9.12423 GPRESSAVG: 4205200 -59.6664 19.5869 11.984 20.772 58.2078 -56.1659 12.0601 -59.7518 9.20493 TIMING: 4205200 CPU: 13363.6, 0.00319275/step Wall: 13363.6, 0.00319275/step, 0.704888 hours remaining, 237.968750 MB of memory in use. ENERGY: 4205200 3987.6773 20571.5517 14474.5964 258.0554 -203083.9538 2508.2335 0.0000 0.0000 52123.1014 -109160.7381 299.5522 -161283.8396 -108786.6125 299.3810 -77.1556 -53.4526 762733.6483 2.6133 2.5821 PRESSURE: 4205400 -48.2799 -20.5458 -146.914 -20.5453 1.42502 -15.7947 -146.913 -15.7942 356.676 GPRESSURE: 4205400 47.1616 -130.892 -188.727 8.31481 -35.7606 -87.3946 -129.614 54.0265 367.636 PRESSAVG: 4205400 -23.5022 0.712082 -1.96758 0.712133 50.5279 -41.9378 -1.96752 -41.9379 6.9174 GPRESSAVG: 4205400 -22.7064 1.33145 -2.60754 0.581787 49.283 -44.4578 -2.3879 -38.6525 7.14992 TIMING: 4205400 CPU: 13364.2, 0.00319114/step Wall: 13364.2, 0.00319114/step, 0.704355 hours remaining, 237.968750 MB of memory in use. ENERGY: 4205400 3996.8907 20563.6538 14492.0392 263.2556 -203034.2079 2588.8909 0.0000 0.0000 51846.3248 -109283.1528 297.9615 -161129.4776 -108930.1020 299.5130 103.2739 126.3457 762967.7333 11.3144 11.2422 PRESSURE: 4205600 -596.463 5.06852 67.9649 5.06765 -182.766 286.996 67.9645 286.995 -390.655 GPRESSURE: 4205600 -473.623 37.2102 64.4036 -115.182 -202.92 297.996 56.8878 230.394 -404.073 PRESSAVG: 4205600 16.6147 -46.7326 -47.1762 -46.7326 10.5985 45.6449 -47.1762 45.6449 16.5411 GPRESSAVG: 4205600 16.4336 -46.4444 -47.9968 -47.1149 11.9606 46.4224 -46.9693 44.1162 16.0222 TIMING: 4205600 CPU: 13364.8, 0.00318456/step Wall: 13364.8, 0.00318456/step, 0.702726 hours remaining, 237.968750 MB of memory in use. ENERGY: 4205600 4083.8320 20539.4574 14479.1558 248.9992 -203263.5113 2623.4036 0.0000 0.0000 52064.9194 -109223.7440 299.2178 -161288.6634 -108858.3312 299.1525 -389.9616 -360.2053 762561.5051 14.5848 14.8055 PRESSURE: 4205800 265.89 -151.096 -29.0516 -151.096 14.6984 -85.6255 -29.0515 -85.6265 -291.612 GPRESSURE: 4205800 323.224 -110.809 -62.5312 -133.342 -51.6655 -86.7015 49.1435 -125.392 -217.482 PRESSAVG: 4205800 50.275 17.7909 -13.7313 17.7909 -3.8379 8.58551 -13.7313 8.58551 -3.27666 GPRESSAVG: 4205800 49.3156 17.3343 -13.1161 17.2939 -4.57212 7.80373 -14.9575 7.12668 -1.93252 TIMING: 4205800 CPU: 13365.5, 0.00320219/step Wall: 13365.5, 0.00320219/step, 0.706438 hours remaining, 237.968750 MB of memory in use. ENERGY: 4205800 3981.0407 20683.9457 14437.3631 242.3317 -203129.9325 2670.0835 0.0000 0.0000 52079.1252 -109036.0426 299.2994 -161115.1678 -108676.8220 299.7833 -3.6743 18.0257 762802.4593 14.3868 14.2703 PRESSURE: 4206000 -121.479 -19.7128 76.354 -19.713 -90.2815 183.624 76.3541 183.624 -463.361 GPRESSURE: 4206000 -124.996 -121.084 106.353 -66.196 -66.1626 156.272 86.0541 129.341 -426.431 PRESSAVG: 4206000 -10.5719 -22.8681 41.2546 -22.8681 -8.57726 -48.5517 41.2545 -48.5518 -22.6365 GPRESSAVG: 4206000 -10.1623 -24.0605 43.6185 -23.0141 -8.75655 -48.1366 41.301 -47.4035 -23.4661 TIMING: 4206000 CPU: 13366.1, 0.00318473/step Wall: 13366.1, 0.00318473/step, 0.70241 hours remaining, 237.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4206000 4015.1203 20662.8217 14456.8524 260.8553 -202691.8792 2344.9950 0.0000 0.0000 52061.2525 -108889.9821 299.1967 -160951.2346 -108528.4380 300.3318 -225.0402 -205.8632 763615.0083 -13.9286 -14.1283 PRESSURE: 4206200 -184.857 263.993 -71.7846 263.993 59.3892 -57.197 -71.7848 -57.1969 114.626 GPRESSURE: 4206200 -22.6947 243.582 -171.112 303.825 58.8197 -101.854 -124.307 -36.9828 53.6114 PRESSAVG: 4206200 -90.5657 -39.4687 3.2375 -39.4687 61.6801 33.4429 3.2375 33.4429 -6.24386 GPRESSAVG: 4206200 -90.5194 -37.3025 1.32547 -39.8756 61.4258 32.06 2.30408 35.028 -5.53995 TIMING: 4206200 CPU: 13366.8, 0.00318099/step Wall: 13366.8, 0.00318099/step, 0.701408 hours remaining, 237.968750 MB of memory in use. ENERGY: 4206200 4021.1046 20538.3989 14427.6609 231.1237 -202995.8641 2499.7661 0.0000 0.0000 52249.9292 -109027.8808 300.2811 -161277.8100 -108659.8868 299.9459 -3.6141 29.9122 761329.9130 -11.7098 -11.5445 PRESSURE: 4206400 -152.811 -134.488 249.781 -134.488 42.0183 116.642 249.782 116.642 -74.7215 GPRESSURE: 4206400 -167.91 -54.576 296.59 -174.55 230.519 176.997 207.006 124.503 -141.081 PRESSAVG: 4206400 -41.0948 22.9591 -23.6787 22.9592 31.3865 -6.78138 -23.6787 -6.78142 7.70985 GPRESSAVG: 4206400 -39.728 22.3674 -24.5745 23.2862 30.9453 -5.76963 -20.1442 -7.04783 7.04653 TIMING: 4206400 CPU: 13367.4, 0.00320895/step Wall: 13367.4, 0.00320895/step, 0.707396 hours remaining, 237.968750 MB of memory in use. ENERGY: 4206400 4028.8692 20694.4927 14436.6201 226.0427 -203278.2113 2621.6038 0.0000 0.0000 52218.1195 -109052.4634 300.0983 -161270.5829 -108695.6481 299.9647 -61.8381 -26.1574 762028.1000 -0.6661 -0.5787 PRESSURE: 4206600 170.139 65.2428 144.839 65.2427 195.984 35.9867 144.84 35.9863 -235.863 GPRESSURE: 4206600 97.6396 95.1881 198.083 -2.9878 227.242 43.2525 116.565 -118.422 -109.687 PRESSAVG: 4206600 -62.4886 9.10279 11.6404 9.10276 35.3456 47.5449 11.6405 47.545 -31.5866 GPRESSAVG: 4206600 -64.1296 10.8556 12.628 8.90189 36.8549 49.028 10.7284 44.8539 -32.2634 TIMING: 4206600 CPU: 13368, 0.00319549/step Wall: 13368, 0.00319549/step, 0.704251 hours remaining, 237.968750 MB of memory in use. ENERGY: 4206600 4005.9924 20672.7326 14473.7676 223.9626 -203491.6632 2606.0653 0.0000 0.0000 52412.0180 -109097.1247 301.2126 -161509.1427 -108725.8071 300.4907 43.4198 71.7314 758717.7855 -19.5765 -19.8460 PRESSURE: 4206800 8.50315 143.037 -45.9677 143.036 233.457 -213.54 -45.9677 -213.541 -97.9479 GPRESSURE: 4206800 -4.5154 45.3693 -75.3919 34.7524 282.37 -149.554 -85.0906 -229.118 -63.3653 PRESSAVG: 4206800 -36.064 -15.2661 22.2062 -15.266 52.9045 -28.3362 22.2062 -28.3363 6.54954 GPRESSAVG: 4206800 -35.7127 -19.3831 22.1027 -13.4168 52.9494 -28.5629 21.7543 -28.6874 6.33234 TIMING: 4206800 CPU: 13368.7, 0.0031762/step Wall: 13368.7, 0.0031762/step, 0.699822 hours remaining, 237.968750 MB of memory in use. ENERGY: 4206800 3946.1941 20706.3375 14497.3611 231.0344 -203563.9954 2778.1293 0.0000 0.0000 52240.3008 -109164.6381 300.2257 -161404.9389 -108801.8031 300.0781 48.0042 71.4964 759596.4271 7.7967 7.8563 PRESSURE: 4207000 -169.508 120.99 272.048 120.989 102.374 97.4924 272.047 97.4926 -234.251 GPRESSURE: 4207000 -115.809 27.7292 317.993 80.0466 195.422 62.3536 179.576 166.038 -288.762 PRESSAVG: 4207000 -26.2885 -26.1309 0.385498 -26.131 44.125 -29.6913 0.385507 -29.6912 -3.96485 GPRESSAVG: 4207000 -26.5758 -24.2553 -0.578049 -28.2077 44.1307 -30.3119 0.253031 -27.8663 -3.74907 TIMING: 4207000 CPU: 13369.3, 0.00320191/step Wall: 13369.3, 0.00320191/step, 0.70531 hours remaining, 237.968750 MB of memory in use. ENERGY: 4207000 4028.7086 20648.4095 14499.4469 253.4522 -203416.3609 2738.0656 0.0000 0.0000 52139.7221 -109108.5559 299.6477 -161248.2781 -108754.0365 299.6467 -100.4614 -69.7162 759546.7160 4.6239 4.6019 PRESSURE: 4207200 -263.933 -171.042 -48.5057 -171.043 -419.451 -135.567 -48.5051 -135.566 156.371 GPRESSURE: 4207200 -229.507 -236.633 -15.4729 -62.8467 -379.509 -119.047 86.3531 -219.83 169.658 PRESSAVG: 4207200 13.967 -18.951 -60.0356 -18.9511 -38.3426 4.56523 -60.0357 4.56518 -6.62858 GPRESSAVG: 4207200 13.621 -18.2483 -59.9627 -17.4199 -38.3338 5.408 -58.3393 4.82551 -6.25501 TIMING: 4207200 CPU: 13369.9, 0.00316912/step Wall: 13369.9, 0.00316912/step, 0.697911 hours remaining, 237.968750 MB of memory in use. ENERGY: 4207200 3994.0976 20570.1577 14443.6154 243.7850 -203154.9109 2672.5959 0.0000 0.0000 52005.3193 -109225.3401 298.8753 -161230.6594 -108855.6238 300.4382 -175.6709 -146.4527 761763.7990 -10.3347 -10.3226 PRESSURE: 4207400 -31.7196 -87.9543 136.536 -87.9537 139.439 -153.338 136.537 -153.337 179.701 GPRESSURE: 4207400 14.6251 1.20085 110.98 -123.515 251 -231.898 131.745 -157.337 86.351 PRESSAVG: 4207400 -23.4858 -24.236 -14.6835 -24.236 19.5268 -25.5574 -14.6835 -25.5574 15.5253 GPRESSAVG: 4207400 -23.3185 -24.3623 -12.5859 -24.7886 19.9802 -25.969 -16.9169 -26.1817 14.2441 TIMING: 4207400 CPU: 13370.6, 0.00317786/step Wall: 13370.6, 0.00317786/step, 0.699659 hours remaining, 237.968750 MB of memory in use. ENERGY: 4207400 3897.3530 20621.7604 14399.1630 245.3245 -203420.2049 2674.4674 0.0000 0.0000 52282.2890 -109299.8476 300.4670 -161582.1366 -108929.0980 299.9277 95.8069 117.3255 759854.1418 3.8554 3.6352 PRESSURE: 4207600 -23.9876 -57.6342 74.2348 -57.634 242.385 -131.315 74.2349 -131.315 20.4008 GPRESSURE: 4207600 12.3698 -30.9365 -5.76038 73.1111 241.096 -21.8938 123.743 -77.4827 67.673 PRESSAVG: 4207600 -15.9672 6.56603 -10.632 6.56597 -15.2392 -35.8227 -10.632 -35.8226 16.9954 GPRESSAVG: 4207600 -15.0476 6.84312 -12.7744 7.63501 -16.8254 -37.3325 -7.60787 -34.8385 18.3017 TIMING: 4207600 CPU: 13371.2, 0.00317286/step Wall: 13371.2, 0.00317286/step, 0.698381 hours remaining, 237.968750 MB of memory in use. ENERGY: 4207600 3917.1933 20598.8227 14341.1482 236.0883 -203334.7412 2638.8243 0.0000 0.0000 52370.2225 -109232.4419 300.9724 -161602.6645 -108868.1677 300.3373 79.5992 107.0462 759445.6508 -4.7370 -4.5238 PRESSURE: 4207800 200.432 -71.1282 206.215 -71.1279 261.935 5.97574 206.215 5.97644 230.506 GPRESSURE: 4207800 181.532 -17.9667 192.551 -54.634 301.885 16.6255 232.604 -106.379 288.612 PRESSAVG: 4207800 -1.44495 15.7878 -27.6287 15.7877 28.8493 -58.219 -27.6288 -58.2191 -7.67266 GPRESSAVG: 4207800 -2.36509 15.5968 -26.3501 16.5143 29.5597 -57.5696 -30.0495 -59.7684 -8.64543 TIMING: 4207800 CPU: 13371.9, 0.00318873/step Wall: 13371.9, 0.00318873/step, 0.701697 hours remaining, 237.968750 MB of memory in use. ENERGY: 4207800 3925.7311 20752.0651 14416.3129 242.3672 -203791.6375 2940.6478 0.0000 0.0000 52077.9899 -109436.5235 299.2929 -161514.5135 -109081.6754 299.7114 230.9577 257.3433 762323.0902 6.5772 6.1831 PRESSURE: 4208000 -76.2087 215.397 -23.7241 215.397 299.172 -305.794 -23.7239 -305.793 -342.034 GPRESSURE: 4208000 -42.1197 203.705 88.006 144.191 385.665 -273.368 13.7755 -234.797 -366.53 PRESSAVG: 4208000 -8.37378 41.825 -49.9978 41.825 -15.6722 -18.1466 -49.9978 -18.1465 -15.6591 GPRESSAVG: 4208000 -8.05774 42.7267 -50.5377 38.6941 -15.8637 -16.4648 -49.1087 -19.1394 -15.2302 TIMING: 4208000 CPU: 13372.5, 0.00318321/step Wall: 13372.5, 0.00318321/step, 0.700306 hours remaining, 237.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4208000 3975.6141 20664.9988 14463.4698 259.8073 -203779.2714 2883.2199 0.0000 0.0000 52057.7166 -109474.4451 299.1764 -161532.1616 -109105.1987 298.9219 -39.6903 -7.6614 762381.7963 -13.2350 -13.0505 PRESSURE: 4208200 206.295 88.1617 29.9469 88.1608 259.624 -43.2046 29.9466 -43.2048 220.977 GPRESSURE: 4208200 191.252 172.347 -10.9818 104.166 366.655 -5.50005 -42.7501 -1.96371 247.607 PRESSAVG: 4208200 -31.9874 26.3412 -67.3848 26.3411 21.2881 14.5417 -67.3847 14.5416 -1.07238 GPRESSAVG: 4208200 -32.5961 25.6584 -65.3055 25.1831 22.407 13.4825 -67.7686 16.2162 -1.74202 TIMING: 4208200 CPU: 13373.1, 0.00317639/step Wall: 13373.1, 0.00317639/step, 0.698628 hours remaining, 237.968750 MB of memory in use. ENERGY: 4208200 3940.7813 20670.2223 14422.4319 254.2265 -203453.8571 2749.1566 0.0000 0.0000 52039.0740 -109377.9645 299.0693 -161417.0385 -109016.2773 299.3534 228.9655 268.5049 760268.6158 -3.9239 -3.9770 LDB: ============= START OF LOAD BALANCING ============== 13385.5 LDB: ============== END OF LOAD BALANCING =============== 13385.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13385.5 LDB: ============= START OF LOAD BALANCING ============== 13385.8 LDB: Largest compute 7075 load 0.035175 is 17.9% of average load 0.196028 LDB: Average compute 0.004391 is 2.2% of average load 0.196028 LDB: TIME 13385.9 LOAD: AVG 0.196028 MAX 0.217979 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 13385.9 LOAD: AVG 0.196028 MAX 0.217979 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.621 MB LDB: TIME 13385.9 LOAD: AVG 0.196028 MAX 0.217979 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.621 MB LDB: ============== END OF LOAD BALANCING =============== 13385.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13385.9 PRESSURE: 4208400 287.843 -196.587 -16.2092 -196.587 20.9813 34.8882 -16.2084 34.8884 340.099 GPRESSURE: 4208400 326.936 -252.338 -75.3032 -66.757 116.964 92.8069 -139.113 87.6603 298.495 PRESSAVG: 4208400 -22.2728 16.006 -50.8743 16.006 52.1538 22.555 -50.8743 22.5549 12.2324 GPRESSAVG: 4208400 -22.3228 13.982 -52.3761 18.649 51.8304 23.2568 -52.9121 23.2591 12.9118 TIMING: 4208400 CPU: 13373.8, 0.0032361/step Wall: 13373.8, 0.0032361/step, 0.711582 hours remaining, 239.125000 MB of memory in use. ENERGY: 4208400 3953.6980 20713.4038 14431.7786 246.8980 -204042.4239 3052.9508 0.0000 0.0000 52235.5216 -109408.1731 300.1983 -161643.6946 -109047.7737 299.9358 216.3079 247.4651 762069.3772 14.0378 14.1398 PRESSURE: 4208600 388.447 -83.9343 62.8909 -83.9345 116.301 -23.9135 62.891 -23.9136 225.962 GPRESSURE: 4208600 401.597 -91.987 9.45371 -141.346 144.339 -39.7161 121.037 -57.9621 281.942 PRESSAVG: 4208600 -13.1941 -38.2261 30.0567 -38.2261 -0.592383 -11.9769 30.0566 -11.9769 -5.57409 GPRESSAVG: 4208600 -13.8474 -36.0838 29.95 -38.8689 -0.136027 -12.116 30.2041 -10.802 -5.61153 TIMING: 4208600 CPU: 13374.4, 0.0031552/step Wall: 13374.4, 0.0031552/step, 0.693618 hours remaining, 239.125000 MB of memory in use. ENERGY: 4208600 4094.9337 20508.0379 14377.6042 235.9476 -203914.7128 3151.3076 0.0000 0.0000 52133.7088 -109413.1729 299.6131 -161546.8817 -109062.9326 299.5850 243.5700 275.9593 762751.5410 -6.4535 -6.5317 PRESSURE: 4208800 -66.1166 87.0942 295.668 87.0937 -60.1554 0.372463 295.667 0.372263 -393.145 GPRESSURE: 4208800 -90.2152 16.0573 246.358 132.928 6.29253 6.58565 318.591 -106.159 -347.588 PRESSAVG: 4208800 -16.0571 24.9145 61.5685 24.9145 44.5539 -7.53334 61.5685 -7.5332 -7.66927 GPRESSAVG: 4208800 -15.7288 26.1374 60.7254 24.1236 44.0998 -7.29969 63.6159 -9.46679 -7.68233 TIMING: 4208800 CPU: 13375, 0.00314887/step Wall: 13375, 0.00314887/step, 0.692052 hours remaining, 239.125000 MB of memory in use. ENERGY: 4208800 4087.8241 20510.5894 14469.0874 239.4671 -203854.1422 2777.7784 0.0000 0.0000 52363.8135 -109405.5822 300.9356 -161769.3957 -109046.9470 299.6443 -173.1391 -143.8369 761821.5637 6.9425 6.8962 PRESSURE: 4209000 -289.614 221.129 -163.403 221.129 -668.644 -277.841 -163.402 -277.84 -28.2989 GPRESSURE: 4209000 -330.615 269.196 -144.877 255.769 -574.094 -211.227 -131.667 -185.598 -29.0859 PRESSAVG: 4209000 14.4186 54.3214 30.12 54.3214 -14.9764 -17.1595 30.12 -17.1594 30.2211 GPRESSAVG: 4209000 13.1781 52.3802 30.4193 55.1725 -14.742 -17.8238 30.0555 -17.1208 30.7146 TIMING: 4209000 CPU: 13375.7, 0.00315947/step Wall: 13375.7, 0.00315947/step, 0.694206 hours remaining, 239.125000 MB of memory in use. ENERGY: 4209000 4033.3858 20742.2801 14451.4941 230.8092 -203044.7992 2359.8420 0.0000 0.0000 51860.8168 -109366.1712 298.0448 -161226.9879 -109004.6655 299.3957 -328.8525 -311.2648 765312.5777 9.8878 9.7169 PRESSURE: 4209200 -488.346 -189.686 61.9558 -189.685 -3.94756 -0.585787 61.9549 -0.586486 181.251 GPRESSURE: 4209200 -361.26 -186.443 38.8439 -52.2537 -33.3276 -72.8786 -4.09375 103.081 155.941 PRESSAVG: 4209200 -55.9917 -17.968 -11.6295 -17.9679 32.011 -33.8733 -11.6295 -33.8732 7.59506 GPRESSAVG: 4209200 -54.0768 -18.5684 -11.997 -17.2646 30.7808 -34.2365 -11.6731 -32.7715 6.77502 TIMING: 4209200 CPU: 13376.3, 0.00315451/step Wall: 13376.3, 0.00315451/step, 0.692942 hours remaining, 239.125000 MB of memory in use. ENERGY: 4209200 4026.7121 20617.2182 14385.5151 243.6295 -203531.6660 2735.9020 0.0000 0.0000 51975.4876 -109547.2016 298.7038 -161522.6892 -109183.4998 299.0886 -103.6809 -79.5487 763257.1033 -5.4619 -5.5070 PRESSURE: 4209400 178.891 -95.0169 30.3642 -95.0172 194.903 99.5289 30.3649 99.5282 79.2737 GPRESSURE: 4209400 140.705 -65.522 15.6683 -228.246 123.501 86.9916 -24.1192 178.82 276.749 PRESSAVG: 4209400 61.0835 -11.3323 39.7738 -11.3322 -7.28576 33.124 39.7738 33.124 0.3943 GPRESSAVG: 4209400 60.581 -11.755 39.3886 -12.6869 -6.77323 34.4603 39.6207 31.9838 0.306818 TIMING: 4209400 CPU: 13376.9, 0.00316444/step Wall: 13376.9, 0.00316444/step, 0.694946 hours remaining, 239.125000 MB of memory in use. ENERGY: 4209400 3903.6718 20671.9502 14491.7401 248.6086 -203612.6384 2958.1011 0.0000 0.0000 52008.6591 -109329.9074 298.8945 -161338.5665 -108970.9961 299.3522 151.0226 180.3182 763842.0694 18.0640 18.0382 PRESSURE: 4209600 -128.05 1.75793 120.745 1.75813 265.228 -158.499 120.745 -158.499 40.0522 GPRESSURE: 4209600 2.12547 -180.784 133.849 88.1543 235.558 -69.7682 126.668 -134.384 15.4004 PRESSAVG: 4209600 -46.6558 -60.4483 -5.41688 -60.4482 -19.9166 -10.8491 -5.41698 -10.8491 10.9347 GPRESSAVG: 4209600 -45.2118 -59.7841 -5.94709 -58.0222 -22.0107 -9.89961 -6.00074 -12.5944 11.818 TIMING: 4209600 CPU: 13377.6, 0.0031596/step Wall: 13377.6, 0.0031596/step, 0.693708 hours remaining, 239.125000 MB of memory in use. ENERGY: 4209600 3974.6633 20492.6622 14433.6941 249.7940 -203365.9497 2558.2620 0.0000 0.0000 52286.8097 -109370.0645 300.4930 -161656.8742 -109003.2833 299.1790 59.0769 84.3613 763406.4556 -18.5459 -18.4682 PRESSURE: 4209800 208.547 45.1894 -236.947 45.1889 -9.10372 55.0235 -236.946 55.0233 163.123 GPRESSURE: 4209800 272.292 143.751 -141.986 4.19489 -40.1578 23.6367 -168.992 186.118 224.811 PRESSAVG: 4209800 46.3494 41.6865 22.1225 41.6865 -61.0724 5.74963 22.1225 5.74959 1.12332 GPRESSAVG: 4209800 45.2205 41.3062 23.9428 39.6094 -58.4202 4.45307 21.9748 8.46403 -0.093329 TIMING: 4209800 CPU: 13378.2, 0.0031491/step Wall: 13378.2, 0.0031491/step, 0.691228 hours remaining, 239.125000 MB of memory in use. ENERGY: 4209800 3998.0396 20723.5486 14428.9347 233.4368 -203403.9898 2818.8328 0.0000 0.0000 51608.7566 -109592.4407 296.5962 -161201.1973 -109237.5102 298.8831 120.8555 152.3151 762786.1185 -4.5332 -4.4310 PRESSURE: 4210000 100.546 -56.1283 -63.5567 -56.1276 284.485 193.304 -63.5565 193.303 79.5353 GPRESSURE: 4210000 85.831 -45.053 -108.676 -18.2737 357.308 156.023 -1.42156 53.3891 107.87 PRESSAVG: 4210000 62.9229 -16.7104 -29.5172 -16.7104 -28.5814 -9.52647 -29.5171 -9.5266 -18.2167 GPRESSAVG: 4210000 63.4248 -14.7594 -29.8287 -14.8966 -29.867 -10.0424 -28.8895 -10.8635 -17.3649 TIMING: 4210000 CPU: 13378.8, 0.00315895/step Wall: 13378.8, 0.00315896/step, 0.693215 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4210000 3964.4244 20613.0328 14389.6539 225.5578 -203518.2027 2602.1843 0.0000 0.0000 52021.5559 -109701.7937 298.9686 -161723.3495 -109333.3063 298.7051 154.8555 183.6698 761540.2246 5.3749 5.3976 PRESSURE: 4210200 -230.856 12.9864 -59.7075 12.9859 -282.213 -54.2752 -59.7082 -54.2752 229.558 GPRESSURE: 4210200 -205.032 -15.9469 -132.217 -27.6712 -134.666 -43.1402 -66.2681 -84.3082 149.776 PRESSAVG: 4210200 -27.5484 8.48009 -17.0707 8.48009 -3.62686 -2.42836 -17.0706 -2.42832 -5.45583 GPRESSAVG: 4210200 -27.5799 9.02864 -15.1327 6.4882 -3.22771 -3.30897 -19.4391 -2.32022 -5.90383 TIMING: 4210200 CPU: 13379.5, 0.00315314/step Wall: 13379.5, 0.00315314/step, 0.691764 hours remaining, 239.125000 MB of memory in use. ENERGY: 4210200 3974.8663 20562.2690 14439.1168 235.3457 -203278.4877 2446.0256 0.0000 0.0000 52082.8240 -109538.0403 299.3207 -161620.8644 -109168.8823 298.4722 -94.5036 -63.3075 761585.2873 -12.2104 -12.2371 PRESSURE: 4210400 10.7469 3.07113 66.5763 3.07119 130.864 -82.3504 66.5761 -82.3514 -396.969 GPRESSURE: 4210400 -55.8395 -34.4679 40.6858 55.8583 117.702 -146.895 76.9324 47.8078 -254.409 PRESSAVG: 4210400 -5.87334 -6.5046 16.5168 -6.50461 23.938 -9.60911 16.5168 -9.60912 8.33286 GPRESSAVG: 4210400 -5.55789 -7.49353 15.0078 -5.46485 23.5522 -8.54735 19.3543 -11.0359 8.01987 TIMING: 4210400 CPU: 13380.1, 0.00314167/step Wall: 13380.1, 0.00314167/step, 0.689073 hours remaining, 239.125000 MB of memory in use. ENERGY: 4210400 4048.6730 20689.3209 14481.0577 256.5135 -203980.1190 2890.5411 0.0000 0.0000 52198.3011 -109415.7118 299.9844 -161614.0129 -109049.9431 299.4467 -85.1192 -64.1823 761094.9034 8.7992 8.6714 PRESSURE: 4210600 120.593 -269.213 -22.8785 -269.214 -52.0796 -160.519 -22.8788 -160.519 547.01 GPRESSURE: 4210600 178.597 -250.957 -186.219 -250.397 -66.4011 -121.684 -15.2995 -176.552 582.616 PRESSAVG: 4210600 -10.6572 10.8207 -0.479042 10.8208 10.8627 19.9457 -0.47902 19.9457 0.432563 GPRESSAVG: 4210600 -10.5769 11.2132 -1.12534 10.7148 9.8353 19.2004 -1.14891 21.9506 1.09 TIMING: 4210600 CPU: 13380.7, 0.00314756/step Wall: 13380.7, 0.00314756/step, 0.69019 hours remaining, 239.125000 MB of memory in use. ENERGY: 4210600 3984.7321 20625.1064 14509.2661 257.0108 -203666.9835 2772.9821 0.0000 0.0000 51939.1618 -109578.7241 298.4951 -161517.8860 -109207.9119 299.3881 205.1746 231.6041 759846.5071 0.2127 0.1161 PRESSURE: 4210800 109.413 -248.702 24.3721 -248.702 -4.16415 70.4774 24.3726 70.4775 111.439 GPRESSURE: 4210800 78.5429 -235.17 60.0964 -284.703 10.9631 14.4369 -34.6486 141.782 208.671 PRESSAVG: 4210800 24.7302 -33.3977 -7.31326 -33.3977 -14.0883 0.940543 -7.3132 0.940561 14.9872 GPRESSAVG: 4210800 23.2491 -35.7208 -6.95778 -31.7765 -12.7109 0.791434 -7.47463 -0.286295 15.5327 TIMING: 4210800 CPU: 13381.3, 0.00315634/step Wall: 13381.3, 0.00315634/step, 0.69194 hours remaining, 239.125000 MB of memory in use. ENERGY: 4210800 3936.1099 20723.2915 14506.7285 236.9199 -203509.1621 2684.2077 0.0000 0.0000 52127.1077 -109294.7969 299.5752 -161421.9046 -108945.5774 299.4134 72.2294 99.3924 759136.7447 8.5430 8.6903 PRESSURE: 4211000 446.338 19.994 -176.528 19.993 93.1934 117.915 -176.529 117.913 451.521 GPRESSURE: 4211000 410.487 49.1299 -123.949 2.18877 174.642 108.961 -243.847 48.6891 499.063 PRESSAVG: 4211000 -27.5268 -13.0065 15.551 -13.0064 63.7872 -47.1291 15.5509 -47.129 -3.66065 GPRESSAVG: 4211000 -27.4801 -11.8033 16.0666 -14.2265 63.3891 -47.3195 15.8374 -48.0561 -3.14 TIMING: 4211000 CPU: 13382, 0.00313176/step Wall: 13382, 0.00313176/step, 0.686378 hours remaining, 239.125000 MB of memory in use. ENERGY: 4211000 3954.0089 20559.0715 14479.4475 236.5312 -203592.0708 2827.7026 0.0000 0.0000 52348.2668 -109187.0422 300.8462 -161535.3091 -108830.6445 299.6957 330.3509 361.3974 761327.7628 10.8666 10.9230 PRESSURE: 4211200 -76.6298 -191.942 123.978 -191.941 85.7353 17.6234 123.978 17.6225 210.177 GPRESSURE: 4211200 -25.3131 -58.6911 201.5 -203.319 176.552 -19.1198 101.728 104.549 132.471 PRESSAVG: 4211200 -25.6258 -22.9052 -0.485146 -22.9052 19.5738 -29.4677 -0.485085 -29.4678 4.38519 GPRESSAVG: 4211200 -26.4846 -23.9641 -2.04682 -22.7849 21.1319 -27.3573 1.16339 -28.0745 3.65754 TIMING: 4211200 CPU: 13382.6, 0.00315327/step Wall: 13382.6, 0.00315327/step, 0.690918 hours remaining, 239.125000 MB of memory in use. ENERGY: 4211200 4002.7659 20538.7951 14487.4626 248.2815 -203249.3569 2467.1534 0.0000 0.0000 52206.6655 -109298.2330 300.0324 -161504.8985 -108935.9023 299.5746 73.0942 94.5700 761500.9694 -0.5556 -0.5650 PRESSURE: 4211400 165.066 317.586 148.497 317.585 417.348 -85.7133 148.497 -85.7129 497.516 GPRESSURE: 4211400 161.66 273.891 176.175 327.447 458.968 -165.3 192.136 16.5571 561.717 PRESSAVG: 4211400 -43.8209 -13.997 9.38241 -13.9969 1.6032 -17.7479 9.38242 -17.7479 -0.759905 GPRESSAVG: 4211400 -42.4667 -14.4639 11.5553 -12.9568 -0.118174 -18.9481 8.34568 -18.4375 -0.562055 TIMING: 4211400 CPU: 13383.2, 0.00314726/step Wall: 13383.2, 0.00314726/step, 0.689426 hours remaining, 239.125000 MB of memory in use. ENERGY: 4211400 3969.3888 20573.5620 14467.0003 240.9243 -203266.0048 2735.4228 0.0000 0.0000 52007.2779 -109272.4287 298.8865 -161279.7065 -108916.7534 299.0884 359.9765 394.1150 761327.5625 -14.3259 -14.3823 PRESSURE: 4211600 478.446 97.439 -294.337 97.439 -175.675 37.4571 -294.337 37.457 91.9142 GPRESSURE: 4211600 449.968 93.9646 -336.677 133.422 -65.0453 -49.446 -218.139 43.4578 101.372 PRESSAVG: 4211600 24.5127 -15.4922 -16.2405 -15.4921 -4.64614 15.4293 -16.2405 15.4293 9.22522 GPRESSAVG: 4211600 24.7518 -15.734 -17.7918 -17.8746 -4.91019 13.837 -16.5319 16.8854 8.88639 TIMING: 4211600 CPU: 13383.9, 0.00315862/step Wall: 13383.9, 0.00315862/step, 0.691737 hours remaining, 239.125000 MB of memory in use. ENERGY: 4211600 4003.0226 20444.1504 14450.4523 241.2117 -202888.5398 2457.8771 0.0000 0.0000 52152.2173 -109139.6084 299.7195 -161291.8257 -108774.6638 299.2530 131.5619 162.0983 763158.9290 9.6973 9.5760 PRESSURE: 4211800 -27.8102 -77.9039 34.8226 -77.9034 -173.471 213.881 34.8224 213.881 -300.592 GPRESSURE: 4211800 18.9359 -164.757 157.297 -64.4039 -95.0659 324.493 -53.0087 246.202 -319.084 PRESSAVG: 4211800 7.44682 -65.5186 -23.1726 -65.5186 -14.9166 24.9775 -23.1726 24.9775 -24.2603 GPRESSAVG: 4211800 7.56568 -62.4143 -23.2168 -65.1982 -14.9674 26.5278 -22.927 26.6179 -24.8008 TIMING: 4211800 CPU: 13384.5, 0.00315248/step Wall: 13384.5, 0.00315248/step, 0.690218 hours remaining, 239.125000 MB of memory in use. ENERGY: 4211800 4001.1708 20558.7776 14543.7273 230.7526 -202768.5585 2243.5554 0.0000 0.0000 51903.6985 -109286.8763 298.2913 -161190.5748 -108925.9261 299.2526 -167.2912 -131.7381 762353.6060 -10.5767 -10.7342 PRESSURE: 4212000 -161.647 26.4536 48.119 26.4531 -386.876 -30.0368 48.118 -30.0366 155.545 GPRESSURE: 4212000 -202.396 -43.4676 -33.4357 43.8471 -189.6 -95.8829 112.629 30.8161 79.2802 PRESSAVG: 4212000 -32.7698 -18.3034 4.6311 -18.3034 23.7052 1.2438 4.6311 1.2438 13.8835 GPRESSAVG: 4212000 -33.5035 -20.5888 4.11558 -16.3096 24.4557 2.09959 2.60328 -1.25856 14.3542 TIMING: 4212000 CPU: 13385.1, 0.00316863/step Wall: 13385.1, 0.00316863/step, 0.693579 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4212000 3944.2675 20592.7761 14475.6037 258.7927 -203079.5376 2363.5713 0.0000 0.0000 52062.4470 -109382.0793 299.2036 -161444.5264 -109023.1350 299.6864 -130.9927 -104.2385 762943.0700 1.6063 1.7688 PRESSURE: 4212200 -219.224 50.9731 72.1602 50.9738 -186.683 -51.0794 72.1599 -51.0795 -158.465 GPRESSURE: 4212200 -131.876 -57.5293 79.7683 54.2357 -171.26 -15.3999 8.02685 -86.6837 -191.064 PRESSAVG: 4212200 -7.07311 -51.035 -26.7165 -51.035 17.9099 -44.2697 -26.7165 -44.2696 17.4166 GPRESSAVG: 4212200 -7.06274 -50.979 -25.8794 -52.3471 17.6966 -44.635 -25.0394 -43.0991 17.5018 TIMING: 4212200 CPU: 13385.8, 0.00319064/step Wall: 13385.8, 0.00319064/step, 0.698219 hours remaining, 239.125000 MB of memory in use. ENERGY: 4212200 3968.7505 20671.6256 14429.0876 244.2488 -203116.4692 2419.6819 0.0000 0.0000 51775.0322 -109608.0426 297.5518 -161383.0748 -109254.3501 298.6580 -188.1240 -164.7334 764110.7567 9.4178 9.3785 LDB: ============= START OF LOAD BALANCING ============== 13398.2 LDB: ============== END OF LOAD BALANCING =============== 13398.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13398.2 LDB: ============= START OF LOAD BALANCING ============== 13398.5 LDB: Largest compute 7075 load 0.035513 is 18.1% of average load 0.196014 LDB: Average compute 0.004391 is 2.2% of average load 0.196014 LDB: TIME 13398.5 LOAD: AVG 0.196014 MAX 0.217469 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 13398.5 LOAD: AVG 0.196014 MAX 0.217469 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.973 MB LDB: TIME 13398.5 LOAD: AVG 0.196014 MAX 0.217469 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.973 MB LDB: ============== END OF LOAD BALANCING =============== 13398.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13398.5 PRESSURE: 4212400 11.5976 -99.6536 -225.566 -99.6536 -5.03342 -11.3231 -225.566 -11.3224 -322.17 GPRESSURE: 4212400 86.7997 -55.8583 -226.109 -65.2884 -40.9771 -164.22 -143.733 6.57705 -261.46 PRESSAVG: 4212400 -2.8433 -30.2515 -55.1848 -30.2515 -2.27976 -36.1195 -55.1848 -36.1195 -2.65058 GPRESSAVG: 4212400 -2.14911 -28.8154 -55.4925 -29.0579 -3.37274 -37.6451 -55.1715 -33.9067 -2.0445 TIMING: 4212400 CPU: 13386.4, 0.0032364/step Wall: 13386.4, 0.0032364/step, 0.708052 hours remaining, 238.671875 MB of memory in use. ENERGY: 4212400 3876.7602 20349.8014 14505.9516 226.4532 -203121.2400 2788.6920 0.0000 0.0000 51905.6524 -109467.9293 298.3025 -161373.5817 -109101.1669 298.5472 -105.2018 -71.8792 763793.5817 -2.5912 -2.5221 PRESSURE: 4212600 100.071 -191.777 -105.809 -191.778 -37.544 -200.816 -105.81 -200.817 -430.114 GPRESSURE: 4212600 10.2925 -193.647 -84.3286 -173.47 -5.71071 -179.212 -32.8771 -204.011 -273.096 PRESSAVG: 4212600 -21.3563 -86.9566 -34.1219 -86.9566 7.86661 8.17536 -34.1219 8.17537 14.4953 GPRESSAVG: 4212600 -21.4785 -89.1267 -33.4381 -85.2982 8.5252 9.83197 -36.2724 5.64867 14.6304 TIMING: 4212600 CPU: 13387, 0.00315637/step Wall: 13387, 0.00315637/step, 0.690369 hours remaining, 238.671875 MB of memory in use. ENERGY: 4212600 4015.4306 20356.3437 14506.8685 252.6796 -203059.2321 2586.7325 0.0000 0.0000 52092.9198 -109248.2574 299.3787 -161341.1772 -108881.9079 299.1360 -122.5292 -89.5048 762568.9229 0.3352 0.5590 PRESSURE: 4212800 -195.472 328.485 -32.1339 328.485 -212.927 239.494 -32.1338 239.495 171.082 GPRESSURE: 4212800 -232.109 246.252 -27.8769 388.564 -141.381 233.597 -25.3914 159.356 228.345 PRESSAVG: 4212800 -55.5018 -31.6461 19.3744 -31.6461 29.109 -2.92694 19.3744 -2.92688 -23.8278 GPRESSAVG: 4212800 -56.7684 -30.5021 19.7318 -32.7643 29.8542 -2.40263 22.3241 -1.195 -23.7746 TIMING: 4212800 CPU: 13387.7, 0.00314671/step Wall: 13387.7, 0.00314671/step, 0.688081 hours remaining, 238.671875 MB of memory in use. ENERGY: 4212800 3939.8316 20589.8310 14452.1075 230.9674 -203184.2327 2418.2576 0.0000 0.0000 52351.9195 -109201.3180 300.8672 -161553.2375 -108838.7416 299.5227 -79.1054 -48.3818 761253.3030 -16.7402 -16.8963 PRESSURE: 4213000 -405.328 -13.4934 -162.333 -13.4935 -195.403 -104.958 -162.332 -104.959 -73.7368 GPRESSURE: 4213000 -316.365 -75.6296 -130.141 -57.0823 -194.684 -39.7573 -188.672 -158.289 -65.1091 PRESSAVG: 4213000 -71.6519 -14.0781 1.14355 -14.0781 29.6909 -46.3582 1.14353 -46.3583 28.4462 GPRESSAVG: 4213000 -69.4354 -14.4947 -1.08353 -15.6515 29.9098 -47.817 -2.0133 -49.0545 26.3466 TIMING: 4213000 CPU: 13388.3, 0.00314317/step Wall: 13388.3, 0.00314317/step, 0.687132 hours remaining, 238.671875 MB of memory in use. ENERGY: 4213000 3949.1561 20702.3394 14477.2167 234.7137 -202989.6209 2426.2934 0.0000 0.0000 51975.1988 -109224.7029 298.7022 -161199.9017 -108867.2868 299.6066 -224.8227 -192.0529 760982.3047 -4.5049 -4.3930 PRESSURE: 4213200 190.02 64.8608 -125.6 64.8608 36.2695 -400.143 -125.6 -400.143 -188.428 GPRESSURE: 4213200 182.216 3.92327 -192.674 96.4652 151.21 -404.534 -35.0905 -218.961 -223.092 PRESSAVG: 4213200 -38.92 -10.2991 32.0243 -10.2991 77.0798 -59.7294 32.0243 -59.7294 -10.4422 GPRESSAVG: 4213200 -39.7139 -11.637 32.3764 -7.09669 77.535 -58.1202 36.2488 -58.6082 -9.78898 TIMING: 4213200 CPU: 13388.9, 0.00315925/step Wall: 13388.9, 0.00315925/step, 0.690471 hours remaining, 238.671875 MB of memory in use. ENERGY: 4213200 4018.9897 20522.3050 14480.7042 263.5496 -203618.2565 2880.7385 0.0000 0.0000 52207.2522 -109244.7172 300.0358 -161451.9695 -108882.4666 300.1373 12.6206 36.7779 758984.9304 9.2392 9.3440 PRESSURE: 4213400 16.3808 -44.1301 195.102 -44.1303 379.798 69.0849 195.103 69.0851 221.635 GPRESSURE: 4213400 -9.43568 -67.9978 183.277 -6.97526 398.341 3.93445 220.61 -74.7455 307.379 PRESSAVG: 4213400 -49.3145 -12.9352 -30.7961 -12.9351 77.25 -77.9723 -30.7961 -77.9723 -10.6024 GPRESSAVG: 4213400 -50.2749 -11.3874 -30.6039 -15.8225 76.9044 -77.9361 -32.4388 -77.8823 -9.10875 TIMING: 4213400 CPU: 13389.6, 0.003163/step Wall: 13389.6, 0.003163/step, 0.691115 hours remaining, 238.671875 MB of memory in use. ENERGY: 4213400 3929.2412 20490.2224 14473.4918 273.4228 -203174.3070 2708.4902 0.0000 0.0000 52125.9861 -109173.4524 299.5688 -161299.4385 -108807.8145 300.4333 205.9379 232.0949 762255.4284 5.7777 5.8403 PRESSURE: 4213600 -189.408 264.36 93.35 264.36 205.919 4.68088 93.3498 4.68043 75.6319 GPRESSURE: 4213600 -42.291 220.073 225.984 196.314 230.832 84.8365 72.8112 15.2235 -7.87153 PRESSAVG: 4213600 -83.6673 -4.50925 -5.64521 -4.50926 114.121 -24.0191 -5.64523 -24.0191 -1.99093 GPRESSAVG: 4213600 -83.3346 -1.78675 -5.15417 -4.04957 114.535 -24.058 -8.13777 -24.0794 -2.32053 TIMING: 4213600 CPU: 13390.2, 0.00317669/step Wall: 13390.2, 0.00317669/step, 0.693931 hours remaining, 238.671875 MB of memory in use. ENERGY: 4213600 4011.7330 20689.3084 14345.1323 247.2510 -203681.4307 2780.1482 0.0000 0.0000 52323.9238 -109283.9340 300.7063 -161607.8578 -108917.2207 299.6842 30.7143 60.2233 761895.0111 9.4877 9.6267 PRESSURE: 4213800 -3.49976 -123.436 47.6739 -123.435 26.2481 98.2357 47.6742 98.2358 139.795 GPRESSURE: 4213800 -79.3404 -206.794 16.7367 68.0214 136.115 85.7146 79.7401 107.594 172.221 PRESSAVG: 4213800 -46.7875 6.86847 -34.5371 6.86846 25.7828 -14.0917 -34.5371 -14.0917 -24.3209 GPRESSAVG: 4213800 -45.7423 3.46876 -35.165 6.44888 24.8737 -14.0099 -34.3297 -13.4787 -25.096 TIMING: 4213800 CPU: 13390.8, 0.00316431/step Wall: 13390.8, 0.00316431/step, 0.691051 hours remaining, 238.671875 MB of memory in use. ENERGY: 4213800 3909.2054 20617.0138 14365.9754 271.9957 -203273.9439 2747.8516 0.0000 0.0000 52139.8067 -109222.0953 299.6482 -161361.9020 -108844.1954 299.7357 54.1810 76.3318 763240.4210 -15.1085 -15.3215 PRESSURE: 4214000 74.3615 85.7201 -93.5917 85.72 281.893 191.426 -93.5927 191.426 -359.063 GPRESSURE: 4214000 85.0433 49.127 -41.8531 95.2272 263.314 223.824 -210.635 248.028 -291.866 PRESSAVG: 4214000 -37.093 -49.1761 28.8071 -49.176 18.1821 6.28274 28.8071 6.28273 -7.31874 GPRESSAVG: 4214000 -38.1066 -47.2427 29.4176 -48.3357 19.1913 4.71954 28.2627 5.19456 -6.40037 TIMING: 4214000 CPU: 13391.5, 0.00315353/step Wall: 13391.5, 0.00315353/step, 0.688521 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4214000 3942.0141 20705.1573 14464.9189 255.0728 -203208.3951 2494.9050 0.0000 0.0000 52196.8791 -109149.4479 299.9762 -161346.3270 -108792.1325 299.6221 -0.9361 18.8303 762055.0102 -8.7432 -8.4385 PRESSURE: 4214200 135.716 68.6383 -208.963 68.6387 312.803 -104.113 -208.962 -104.113 165.812 GPRESSURE: 4214200 177.973 -32.9511 -217.548 52.3473 290.332 -146.702 -222.18 -106.782 239.871 PRESSAVG: 4214200 -25.3529 -1.95877 4.86653 -1.95872 20.1426 47.8438 4.86654 47.8439 -9.98024 GPRESSAVG: 4214200 -24.9731 -3.99265 3.17366 -2.01598 20.4655 48.1766 8.49346 48.6639 -10.4837 TIMING: 4214200 CPU: 13392.1, 0.00314171/step Wall: 13392.1, 0.00314171/step, 0.685766 hours remaining, 238.671875 MB of memory in use. ENERGY: 4214200 3999.2718 20644.8458 14449.5320 242.9010 -203155.9015 2816.9299 0.0000 0.0000 51937.1927 -109065.2283 298.4838 -161002.4210 -108707.3875 300.0860 204.7773 236.0587 763721.8114 -5.0635 -4.9971 PRESSURE: 4214400 19.1295 -129.306 4.99717 -129.305 135.303 131.117 4.99715 131.118 -331.717 GPRESSURE: 4214400 107.553 -145.962 76.4271 -79.1604 176.374 80.4708 -14.9732 16.4153 -370.757 PRESSAVG: 4214400 -52.7838 6.43355 28.5488 6.43353 80.2327 -27.8888 28.5487 -27.8889 -8.8384 GPRESSAVG: 4214400 -53.2794 9.8871 28.4451 4.78012 79.8121 -28.2443 27.4466 -28.7139 -8.19261 TIMING: 4214400 CPU: 13392.7, 0.00315011/step Wall: 13392.7, 0.00315011/step, 0.687425 hours remaining, 238.671875 MB of memory in use. ENERGY: 4214400 4054.5616 20571.2479 14427.9440 238.1964 -203201.3796 2604.7661 0.0000 0.0000 52222.5533 -109082.1104 300.1237 -161304.6636 -108716.9810 299.5611 -59.0948 -28.9430 761852.6768 6.2035 6.1133 PRESSURE: 4214600 51.5379 5.06039 275.027 5.05956 182.724 179.806 275.027 179.806 73.4606 GPRESSURE: 4214600 57.6387 2.17507 242.002 -42.1879 269.69 125.331 145.669 158.702 62.9595 PRESSAVG: 4214600 14.3527 -35.4396 36.3532 -35.4395 -17.8354 -68.3541 36.3532 -68.3541 18.9285 GPRESSAVG: 4214600 13.6614 -36.9017 38.2284 -34.5863 -16.8795 -68.4249 34.0018 -69.002 19.1313 TIMING: 4214600 CPU: 13393.4, 0.00314153/step Wall: 13393.4, 0.00314153/step, 0.685376 hours remaining, 238.671875 MB of memory in use. ENERGY: 4214600 3982.2699 20648.7954 14437.3812 247.1232 -203296.4485 2605.3138 0.0000 0.0000 52093.9924 -109281.5726 299.3849 -161375.5651 -108909.5823 299.4904 102.5742 130.0962 761811.0800 5.1486 5.3044 PRESSURE: 4214800 -162.833 -313.43 16.8329 -313.43 -426.606 -22.0587 16.833 -22.0594 -428.039 GPRESSURE: 4214800 -118.494 -303.67 -2.031 -226.912 -451.159 53.9705 -30.2348 -18.4547 -401.936 PRESSAVG: 4214800 74.3886 -80.1345 -40.2854 -80.1345 -65.2814 -57.1284 -40.2855 -57.1284 -16.5175 GPRESSAVG: 4214800 75.6145 -82.0188 -41.0512 -77.4418 -65.9408 -56.5554 -38.2651 -53.8808 -17.4161 TIMING: 4214800 CPU: 13394, 0.00315005/step Wall: 13394, 0.00315005/step, 0.68706 hours remaining, 238.671875 MB of memory in use. ENERGY: 4214800 4075.2663 20436.5669 14452.0533 246.8173 -203706.1073 2837.9789 0.0000 0.0000 52377.7735 -109279.6512 301.0158 -161657.4247 -108912.7186 299.2911 -339.1595 -323.8630 763288.4595 -2.4701 -2.5808 PRESSURE: 4215000 205.402 180.893 40.2715 180.893 75.3568 -134.876 40.2708 -134.876 28.1449 GPRESSURE: 4215000 231.977 79.4491 81.3084 76.8886 95.679 -144.939 -98.6198 21.8455 38.2831 PRESSAVG: 4215000 5.66537 -53.4875 -0.571654 -53.4875 -17.5555 15.3424 -0.571634 15.3424 -0.327064 GPRESSAVG: 4215000 4.71254 -52.4359 -0.694554 -56.3337 -16.9259 15.6332 -0.470465 12.7851 -0.606962 TIMING: 4215000 CPU: 13394.6, 0.00318047/step Wall: 13394.6, 0.00318047/step, 0.69352 hours remaining, 238.671875 MB of memory in use. ENERGY: 4215000 3991.0442 20590.3834 14387.3676 275.7705 -203426.4681 2773.3035 0.0000 0.0000 52242.7748 -109165.8241 300.2399 -161408.5989 -108797.1978 299.6961 102.9681 121.9797 763137.4976 -4.0724 -4.2734 PRESSURE: 4215200 -71.5793 172.349 125.247 172.349 4.90022 138.795 125.247 138.795 -194.636 GPRESSURE: 4215200 76.9366 207.468 59.7547 101.481 -31.3673 113.394 183.656 39.8427 -221.748 PRESSAVG: 4215200 36.1134 -2.06535 73.7921 -2.06524 -22.3031 17.4493 73.7921 17.4493 -17.6607 GPRESSAVG: 4215200 36.1917 -3.74069 73.1812 -1.14909 -23.1865 16.5698 74.5958 18.3024 -17.2188 TIMING: 4215200 CPU: 13395.3, 0.00317034/step Wall: 13395.3, 0.00317034/step, 0.691133 hours remaining, 238.671875 MB of memory in use. ENERGY: 4215200 3977.8089 20564.9914 14473.1080 262.6754 -203090.8861 2602.5666 0.0000 0.0000 52182.8721 -109026.8636 299.8957 -161209.7357 -108668.2261 300.1012 -87.1049 -58.7264 762641.9924 -1.2834 -1.4046 PRESSURE: 4215400 43.3278 -249.744 78.9017 -249.745 237.461 -332.537 78.9017 -332.538 -25.7558 GPRESSURE: 4215400 195.64 -184.509 110.528 -151.353 217.451 -290.951 6.2181 -256.286 -65.2332 PRESSAVG: 4215400 -6.98192 -12.1546 45.0807 -12.1547 -13.6969 10.9411 45.0808 10.9411 8.09132 GPRESSAVG: 4215400 -4.80754 -8.94389 45.2027 -11.3796 -14.1075 11.782 43.5655 9.71242 6.51001 TIMING: 4215400 CPU: 13395.9, 0.00317839/step Wall: 13395.9, 0.00317839/step, 0.692712 hours remaining, 238.671875 MB of memory in use. ENERGY: 4215400 4024.3241 20539.5227 14512.8421 232.0102 -203401.7725 2616.5078 0.0000 0.0000 52274.3343 -109202.2314 300.4213 -161476.5657 -108839.4452 299.7080 85.0109 115.9523 762540.5422 -4.1958 -4.1350 PRESSURE: 4215600 -281.157 75.0635 270.827 75.0638 -195.462 -63.5193 270.827 -63.5191 -48.4684 GPRESSURE: 4215600 -221.668 61.4107 208.436 23.6803 -179.786 32.7808 212.652 -28.3893 -27.081 PRESSAVG: 4215600 10.1029 -2.61883 20.4044 -2.6188 -4.74758 -25.4202 20.4044 -25.4202 -20.6037 GPRESSAVG: 4215600 7.04933 -4.38356 21.3684 -3.30067 -2.65786 -25.3271 19.8046 -25.3099 -20.0145 TIMING: 4215600 CPU: 13396.5, 0.00316986/step Wall: 13396.5, 0.00316986/step, 0.690678 hours remaining, 238.671875 MB of memory in use. ENERGY: 4215600 4047.6825 20721.6057 14426.5649 245.6695 -203573.6292 2753.8505 0.0000 0.0000 52142.9485 -109235.3076 299.6662 -161378.2561 -108879.2921 299.8400 -175.0290 -142.8451 763818.9894 -5.0828 -5.2077 PRESSURE: 4215800 -292.674 -40.2401 26.3136 -40.2409 72.7118 -131.098 26.3138 -131.098 -367.963 GPRESSURE: 4215800 -226.682 -108.87 -80.935 20.3893 0.708332 -199.151 135.456 -155.19 -280.581 PRESSAVG: 4215800 -42.6525 10.0805 44.1646 10.0805 25.9119 -30.6731 44.1646 -30.6732 5.54647 GPRESSAVG: 4215800 -43.3099 10.9586 42.5159 9.60333 26.1155 -32.9311 45.1286 -30.3546 5.68356 TIMING: 4215800 CPU: 13397.2, 0.00317545/step Wall: 13397.2, 0.00317545/step, 0.691718 hours remaining, 238.671875 MB of memory in use. ENERGY: 4215800 3955.5535 20515.5877 14532.8995 237.8061 -203162.9596 2582.3716 0.0000 0.0000 52216.9125 -109121.8287 300.0913 -161338.7412 -108767.3852 299.9473 -195.9753 -168.8516 763536.1161 -3.7314 -3.8369 PRESSURE: 4216000 -275.582 -31.4113 41.2586 -31.4113 -240.763 63.3163 41.2589 63.3163 -207.653 GPRESSURE: 4216000 -304.576 -138.481 -50.7858 -125.648 -222.321 74.7267 38.7988 129.647 -113.067 PRESSAVG: 4216000 44.1681 -19.3803 23.6494 -19.3802 17.8134 35.6474 23.6493 35.6474 -22.3886 GPRESSAVG: 4216000 45.8118 -20.0718 25.0243 -20.2479 17.0573 37.6399 22.0757 35.44 -23.2832 TIMING: 4216000 CPU: 13397.8, 0.00318656/step Wall: 13397.8, 0.00318656/step, 0.693962 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4216000 4026.1288 20646.5931 14530.3845 237.3492 -203561.8146 2683.9702 0.0000 0.0000 52240.4167 -109196.9720 300.2264 -161437.3888 -108833.8034 300.0105 -241.3325 -213.3216 761472.1081 13.1976 13.1953 PRESSURE: 4216200 -249.241 -28.9201 -67.6854 -28.9211 -171.179 -214.666 -67.6851 -214.665 132.538 GPRESSURE: 4216200 -158.563 5.00386 -80.9341 -50.925 -247.87 -141.773 30.2899 -280.587 216.01 PRESSAVG: 4216200 -9.5325 -2.03159 -67.0805 -2.0316 14.2185 -42.8344 -67.0805 -42.8345 -17.6402 GPRESSAVG: 4216200 -8.98988 -3.36641 -67.3454 -2.10125 13.4209 -44.709 -65.582 -41.8495 -17.3561 TIMING: 4216200 CPU: 13398.4, 0.00317139/step Wall: 13398.4, 0.00317139/step, 0.690483 hours remaining, 238.671875 MB of memory in use. ENERGY: 4216200 3943.9693 20573.2661 14398.2400 247.0447 -203027.8655 2439.0751 0.0000 0.0000 52171.6745 -109254.5958 299.8313 -161426.2703 -108889.2495 299.8591 -95.9607 -63.4745 763655.1662 -4.3181 -4.3084 LDB: ============= START OF LOAD BALANCING ============== 13410.8 LDB: ============== END OF LOAD BALANCING =============== 13410.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13410.8 LDB: ============= START OF LOAD BALANCING ============== 13411.1 LDB: Largest compute 7075 load 0.034693 is 17.7% of average load 0.196107 LDB: Average compute 0.004396 is 2.2% of average load 0.196107 LDB: TIME 13411.2 LOAD: AVG 0.196107 MAX 0.219257 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 13411.2 LOAD: AVG 0.196107 MAX 0.219257 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 13411.2 LOAD: AVG 0.196107 MAX 0.219257 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13411.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13411.2 PRESSURE: 4216400 -193.73 -3.83927 -15.1735 -3.83967 154.038 -297.66 -15.1732 -297.66 -78.9844 GPRESSURE: 4216400 -188.206 18.4115 -64.1182 10.8631 129.417 -334.053 74.1465 -372.76 18.5695 PRESSAVG: 4216400 -8.21861 -1.5692 -16.7118 -1.56923 8.60385 -40.5563 -16.7118 -40.5563 19.9509 GPRESSAVG: 4216400 -9.09269 1.00726 -15.1506 -0.730281 8.59341 -39.0286 -17.5933 -41.4634 20.9016 TIMING: 4216400 CPU: 13399.1, 0.00323689/step Wall: 13399.1, 0.00323689/step, 0.704562 hours remaining, 238.472656 MB of memory in use. ENERGY: 4216400 3873.1950 20664.9469 14454.3858 239.2886 -203571.9732 3093.1431 0.0000 0.0000 52049.6506 -109197.3632 299.1301 -161247.0138 -108835.1707 300.3567 -39.5590 -13.4064 762960.1832 6.7787 6.8008 PRESSURE: 4216600 164.662 -12.6305 64.5314 -12.6311 20.5366 -16.2947 64.5311 -16.2959 43.3271 GPRESSURE: 4216600 188.271 -56.151 8.84059 -22.9572 91.5882 13.2127 128.894 -37.0892 33.9956 PRESSAVG: 4216600 0.0807442 -0.714346 -2.18262 -0.714349 4.20928 -63.5364 -2.18263 -63.5363 4.34902 GPRESSAVG: 4216600 -0.624274 -2.79343 -3.76331 -1.09895 4.60155 -63.8381 -0.44908 -63.0833 5.15124 TIMING: 4216600 CPU: 13399.7, 0.0031714/step Wall: 13399.7, 0.00317139/step, 0.690131 hours remaining, 238.675781 MB of memory in use. ENERGY: 4216600 3981.7235 20410.8898 14399.5813 241.7796 -203205.1935 2532.0317 0.0000 0.0000 52255.3466 -109383.8411 300.3122 -161639.1877 -109011.0549 299.6071 76.1751 104.6183 762534.2902 2.8797 3.0428 PRESSURE: 4216800 -110.787 -126.612 -144.074 -126.612 48.2911 40.2296 -144.075 40.2291 315.203 GPRESSURE: 4216800 -24.4386 46.8867 -79.1347 -34.4828 73.1661 27.0934 -1.96517 -32.2235 294.036 PRESSAVG: 4216800 25.5052 -43.7181 -0.820624 -43.7182 -6.20152 -15.5776 -0.82065 -15.5776 14.8943 GPRESSAVG: 4216800 26.5505 -42.5713 1.49383 -42.6244 -4.96683 -15.8062 -3.02844 -14.3626 12.983 TIMING: 4216800 CPU: 13400.3, 0.00318238/step Wall: 13400.3, 0.00318238/step, 0.692344 hours remaining, 238.675781 MB of memory in use. ENERGY: 4216800 4051.7960 20621.3745 14413.8510 239.6792 -203498.6283 2707.7945 0.0000 0.0000 52087.5141 -109376.6190 299.3477 -161464.1332 -109006.8215 299.5581 84.2355 114.2544 759177.0370 11.3993 11.5222 PRESSURE: 4217000 19.6004 8.99924 90.7339 8.99985 206.867 -130.228 90.7334 -130.229 234.692 GPRESSURE: 4217000 56.5905 -90.0225 123.702 124.086 248.627 -151.728 26.6086 -212.011 246.744 PRESSAVG: 4217000 -32.5587 -31.5942 -12.382 -31.5942 24.4994 -13.5753 -12.382 -13.5754 -3.3759 GPRESSAVG: 4217000 -33.0537 -31.9785 -13.3361 -30.0942 24.1731 -11.1329 -12.3521 -16.2691 -2.62889 TIMING: 4217000 CPU: 13401, 0.00319201/step Wall: 13401, 0.003192/step, 0.694261 hours remaining, 238.675781 MB of memory in use. ENERGY: 4217000 3994.5161 20563.3813 14489.2029 239.0242 -203572.8511 2669.2926 0.0000 0.0000 52219.3047 -109398.1293 300.1051 -161617.4341 -109036.0593 299.3152 153.7196 183.9873 758387.2858 -3.8117 -3.8365 PRESSURE: 4217200 76.2834 216.435 7.01757 216.435 135.135 -252.427 7.01645 -252.425 -4.6034 GPRESSURE: 4217200 180.961 184.893 28.1015 145.6 97.7055 -226.466 20.8036 -158.789 -3.03853 PRESSAVG: 4217200 -22.9745 17.9922 21.2681 17.9923 -16.5279 -16.1068 21.2681 -16.1067 -9.63628 GPRESSAVG: 4217200 -23.9071 18.8734 18.4935 15.5265 -16.5094 -17.2476 21.6729 -16.0919 -9.28228 TIMING: 4217200 CPU: 13401.6, 0.00318171/step Wall: 13401.6, 0.00318172/step, 0.691846 hours remaining, 238.675781 MB of memory in use. ENERGY: 4217200 3969.5827 20682.4260 14438.8687 242.1046 -203082.3623 2658.8143 0.0000 0.0000 51853.0676 -109237.4986 298.0003 -161090.5662 -108883.8022 299.7814 68.9382 91.8760 760474.6025 -16.3796 -16.5662 PRESSURE: 4217400 -57.9049 129.2 149.846 129.2 58.3629 -92.83 149.846 -92.8299 -128.565 GPRESSURE: 4217400 33.5283 148.576 85.1246 109.606 60.6278 -119.142 253.004 -134.5 -110.751 PRESSAVG: 4217400 19.9443 39.3894 23.224 39.3893 -2.25873 12.4241 23.224 12.4241 32.3172 GPRESSAVG: 4217400 21.0882 40.0721 25.8289 38.9215 -3.3807 13.5562 23.494 14.0095 32.0192 TIMING: 4217400 CPU: 13402.3, 0.00319207/step Wall: 13402.3, 0.00319207/step, 0.69392 hours remaining, 238.675781 MB of memory in use. ENERGY: 4217400 4018.0535 20539.1820 14446.5274 244.0790 -203350.9297 2546.1092 0.0000 0.0000 52265.3409 -109291.6377 300.3696 -161556.9786 -108917.3398 299.4472 -42.7025 -5.5315 762568.4495 16.6676 16.5756 PRESSURE: 4217600 167.358 79.1235 -74.1331 79.1234 122.727 80.6873 -74.1335 80.6863 -146.85 GPRESSURE: 4217600 185.425 -18.7247 -54.9076 57.2426 150.074 105.222 41.4136 -78.1109 -128.525 PRESSAVG: 4217600 12.2813 -54.0167 -18.0897 -54.0167 -4.09745 -35.8675 -18.0897 -35.8675 -9.81938 GPRESSAVG: 4217600 11.7134 -53.0724 -19.6813 -56.0396 -3.55283 -37.1995 -18.2306 -37.0142 -9.69657 TIMING: 4217600 CPU: 13402.9, 0.00319929/step Wall: 13402.9, 0.00319929/step, 0.695313 hours remaining, 238.675781 MB of memory in use. ENERGY: 4217600 3912.5643 20608.1172 14520.9558 243.0447 -203340.2381 2617.6450 0.0000 0.0000 52229.6793 -109208.2318 300.1647 -161437.9110 -108845.9725 299.4215 47.7449 68.9914 761515.4392 -0.5452 -0.5120 PRESSURE: 4217800 -249.521 -161.235 70.7239 -161.235 -252.202 -28.8714 70.7236 -28.8711 293.392 GPRESSURE: 4217800 -201.307 -96.9263 153.053 -82.5451 -221.594 -78.516 38.4693 -58.3827 285.668 PRESSAVG: 4217800 -6.766 -23.1037 -5.73064 -23.1037 40.7116 12.77 -5.73061 12.77 -9.46165 GPRESSAVG: 4217800 -6.57709 -26.2293 -6.34105 -20.341 40.9233 13.763 -4.35853 14.1665 -10.3485 TIMING: 4217800 CPU: 13403.5, 0.00317355/step Wall: 13403.5, 0.00317355/step, 0.689542 hours remaining, 238.675781 MB of memory in use. ENERGY: 4217800 3946.5923 20629.0176 14548.6890 239.1804 -203250.3067 2566.3429 0.0000 0.0000 52224.2111 -109096.2734 300.1333 -161320.4846 -108734.4680 299.8545 -69.4435 -45.7444 761382.3624 8.1613 7.9992 PRESSURE: 4218000 -284.252 -94.0675 294.799 -94.0663 339.615 -26.7662 294.799 -26.7667 208.259 GPRESSURE: 4218000 -172.243 -34.3658 226.953 -57.3 430.122 -113.852 218.292 98.2949 111.916 PRESSAVG: 4218000 -28.5509 -28.4939 53.4967 -28.4939 9.88141 -14.6265 53.4968 -14.6265 16.4403 GPRESSAVG: 4218000 -28.9039 -27.8836 55.073 -29.9813 9.76571 -15.077 51.7002 -15.6594 16.7459 TIMING: 4218000 CPU: 13404.2, 0.00317113/step Wall: 13404.2, 0.00317113/step, 0.68884 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4218000 4062.1389 20480.0915 14549.0774 257.7564 -203365.8264 2626.2779 0.0000 0.0000 52214.8660 -109175.6182 300.0796 -161390.4843 -108815.6604 299.9331 87.8740 123.2652 760507.3991 -0.7431 -0.7974 PRESSURE: 4218200 -52.0763 -25.9885 100.017 -25.9879 -75.8125 93.9534 100.017 93.9534 -332.108 GPRESSURE: 4218200 78.5167 -35.0549 142.707 -18.2272 -179.57 74.1509 172.754 13.7473 -295.281 PRESSAVG: 4218200 0.466506 -37.4535 45.6839 -37.4535 1.80522 28.9861 45.684 28.986 6.28637 GPRESSAVG: 4218200 1.19803 -37.1841 45.3189 -35.4241 -0.558042 29.3249 45.4413 28.8427 7.1228 TIMING: 4218200 CPU: 13404.8, 0.00314089/step Wall: 13404.8, 0.00314089/step, 0.682097 hours remaining, 238.675781 MB of memory in use. ENERGY: 4218200 3825.8080 20635.5073 14500.3225 258.1249 -203213.5542 2553.8897 0.0000 0.0000 51969.0636 -109470.8383 298.6669 -161439.9019 -109117.4675 299.7428 -153.3323 -132.1116 763473.7909 2.8527 2.5876 PRESSURE: 4218400 -418.794 103.616 62.0005 103.616 281.848 83.5248 62 83.5237 -156.895 GPRESSURE: 4218400 -357.083 164.737 101.579 141.904 369.451 68.5835 64.1986 -60.4791 -217.378 PRESSAVG: 4218400 -10.1657 -17.2779 34.8957 -17.2779 7.76996 -18.8893 34.8957 -18.8892 16.2337 GPRESSAVG: 4218400 -10.908 -18.8275 34.6574 -18.3295 8.40526 -19.8257 35.1826 -20.4364 16.2293 TIMING: 4218400 CPU: 13405.4, 0.00319759/step Wall: 13405.4, 0.00319759/step, 0.694232 hours remaining, 238.675781 MB of memory in use. ENERGY: 4218400 4015.9147 20554.5304 14432.3430 273.9223 -203047.1791 2373.2840 0.0000 0.0000 52036.8982 -109360.2864 299.0568 -161397.1846 -109000.7490 298.8333 -97.9468 -68.3367 761453.9012 4.6127 4.5755 PRESSURE: 4218600 -109.894 -63.0317 294.938 -63.0313 252.786 -3.46473 294.937 -3.4641 101.161 GPRESSURE: 4218600 -101.435 16.364 330.509 -173.517 223.605 -14.411 258.64 8.95623 218.751 PRESSAVG: 4218600 -41.3346 -14.661 10.5774 -14.661 35.8847 -39.2115 10.5774 -39.2114 0.815207 GPRESSAVG: 4218600 -40.9164 -12.3725 10.6446 -14.5595 37.128 -37.5468 11.9767 -37.1972 -0.623705 TIMING: 4218600 CPU: 13406.1, 0.00319971/step Wall: 13406.1, 0.00319971/step, 0.694514 hours remaining, 238.675781 MB of memory in use. ENERGY: 4218600 3974.9143 20365.6492 14418.4955 262.8647 -203196.8730 2639.9193 0.0000 0.0000 52132.2084 -109402.8217 299.6045 -161535.0300 -109038.0764 299.2134 81.3513 113.6405 762625.0402 -1.5449 -1.4707 PRESSURE: 4218800 -168.106 96.3304 -130.204 96.3293 27.9893 -22.4751 -130.205 -22.4756 194.715 GPRESSURE: 4218800 -15.9145 -66.2883 -188.126 190.529 11.6543 14.3787 -169.861 63.2385 142.76 PRESSAVG: 4218800 21.0584 -21.5528 -10.225 -21.5528 -7.83664 17.3157 -10.225 17.3156 -2.73682 GPRESSAVG: 4218800 20.6024 -20.8763 -9.76294 -21.4657 -7.40821 15.7926 -11.3224 16.8944 -2.76961 TIMING: 4218800 CPU: 13406.7, 0.00319223/step Wall: 13406.7, 0.00319223/step, 0.692714 hours remaining, 238.675781 MB of memory in use. ENERGY: 4218800 3987.5385 20666.8630 14432.1274 240.6299 -203601.1351 2903.1140 0.0000 0.0000 51790.0030 -109580.8592 297.6379 -161370.8622 -109216.3841 298.6811 18.1993 46.1666 763649.0329 3.4950 3.4749 PRESSURE: 4219000 -171.868 -33.3389 2.25336 -33.3391 -314.116 372.52 2.25352 372.522 -42.6237 GPRESSURE: 4219000 -224.053 70.4705 -21.6269 -59.1631 -235.225 384.392 -7.59389 210.058 22.4131 PRESSAVG: 4219000 -26.5921 -21.6801 28.0215 -21.6801 74.3173 12.603 28.0215 12.6031 19.8892 GPRESSAVG: 4219000 -26.6818 -21.7413 28.2437 -22.1561 74.9311 10.1501 26.9651 15.7728 19.3093 TIMING: 4219000 CPU: 13407.4, 0.00318482/step Wall: 13407.4, 0.00318482/step, 0.690929 hours remaining, 238.675781 MB of memory in use. ENERGY: 4219000 4000.3586 20635.0677 14453.1769 222.2596 -203570.9130 2504.7077 0.0000 0.0000 51978.4562 -109776.8862 298.7209 -161755.3425 -109424.7367 299.0776 -176.2025 -145.6215 761742.4327 22.5381 22.5195 PRESSURE: 4219200 -97.9888 -23.7326 138.304 -23.7328 -6.28685 -35.2024 138.304 -35.2013 18.3949 GPRESSURE: 4219200 1.80984 -52.8351 91.1983 -129.324 4.25758 44.668 218.629 -75.9736 -11.8213 PRESSAVG: 4219200 22.6962 -29.0941 35.3413 -29.0942 -8.39603 2.37202 35.3412 2.37201 9.08971 GPRESSAVG: 4219200 23.7045 -30.3192 35.1174 -30.2909 -9.26286 4.2724 36.84 -0.621386 8.79101 TIMING: 4219200 CPU: 13408, 0.00317381/step Wall: 13408, 0.00317381/step, 0.688364 hours remaining, 238.675781 MB of memory in use. ENERGY: 4219200 4027.3140 20348.9293 14359.1378 237.4129 -203250.3419 2502.7375 0.0000 0.0000 52213.7779 -109561.0324 300.0733 -161774.8103 -109185.3971 298.5479 -28.6269 -1.9180 761341.2331 7.7966 7.7442 PRESSURE: 4219400 337.049 -157.783 -51.5312 -157.785 -168.697 165.432 -51.531 165.431 -256.76 GPRESSURE: 4219400 349.964 -281.199 -139.683 -163.11 -180.538 138.257 123.385 2.37901 -157.1 PRESSAVG: 4219400 32.6225 -44.0717 34.38 -44.0717 -25.4031 -3.41054 34.38 -3.41052 -9.02762 GPRESSAVG: 4219400 31.5785 -45.721 33.225 -42.9829 -25.5434 -1.9974 34.1092 -3.62303 -8.21484 TIMING: 4219400 CPU: 13408.6, 0.00318867/step Wall: 13408.6, 0.00318867/step, 0.691409 hours remaining, 238.675781 MB of memory in use. ENERGY: 4219400 4018.3364 20424.7195 14400.2411 230.9967 -203291.6643 2761.7302 0.0000 0.0000 52139.7302 -109315.9101 299.6477 -161455.6404 -108952.7484 299.2913 -29.4689 4.1088 761498.1978 -0.6027 -0.7266 PRESSURE: 4219600 -264.602 -218.35 -91.0137 -218.35 -79.0678 42.6276 -91.015 42.6269 -148.99 GPRESSURE: 4219600 -233.885 -203.234 -45.3773 -84.695 -8.75843 -3.22376 -94.4762 30.0849 -170.864 PRESSAVG: 4219600 12.0549 -74.1232 63.8012 -74.1232 -20.7267 -41.1421 63.8012 -41.1421 19.0612 GPRESSAVG: 4219600 10.2187 -72.0868 65.4008 -74.4 -19.7106 -41.5892 64.3565 -42.8694 19.8829 TIMING: 4219600 CPU: 13409.3, 0.00321493/step Wall: 13409.3, 0.00321493/step, 0.696924 hours remaining, 238.675781 MB of memory in use. ENERGY: 4219600 3960.9006 20642.7065 14492.3550 226.1465 -203139.9057 2370.4839 0.0000 0.0000 52077.8447 -109369.4685 299.2921 -161447.3132 -109010.1922 299.0173 -164.2199 -137.8359 762169.1463 3.4631 3.4637 PRESSURE: 4219800 385.193 62.2825 42.5995 62.2818 -318.819 -76.8109 42.5986 -76.8117 141.444 GPRESSURE: 4219800 274.112 -4.19476 55.3527 43.2706 -176.674 -64.8843 -47.4311 38.8535 182.643 PRESSAVG: 4219800 47.0939 -20.7916 6.90632 -20.7917 -16.2171 -20.8605 6.90632 -20.8604 -25.601 GPRESSAVG: 4219800 47.6533 -22.1182 6.93625 -18.9423 -16.0104 -22.3861 7.35607 -16.3427 -26.7537 TIMING: 4219800 CPU: 13409.9, 0.00316494/step Wall: 13409.9, 0.00316494/step, 0.685914 hours remaining, 238.675781 MB of memory in use. ENERGY: 4219800 3944.1538 20645.9382 14453.5063 232.9565 -203603.7522 2781.9088 0.0000 0.0000 52106.1217 -109439.1668 299.4546 -161545.2885 -109079.6341 299.0446 69.2728 93.3604 761694.5579 1.7586 1.6297 PRESSURE: 4220000 -249.108 83.9582 63.3986 83.9583 -394.768 -129.898 63.3996 -129.898 45.4748 GPRESSURE: 4220000 -294.914 -57.2303 61.3923 17.9147 -271.498 -120.757 -31.4814 -148.008 59.7788 PRESSAVG: 4220000 -35.3353 35.8021 71.7418 35.8021 23.572 -24.6877 71.7418 -24.6876 14.0402 GPRESSAVG: 4220000 -35.4198 37.0752 69.874 35.4524 22.8696 -22.8837 70.4232 -24.0652 14.2018 TIMING: 4220000 CPU: 13410.5, 0.00320246/step Wall: 13410.5, 0.00320247/step, 0.693867 hours remaining, 238.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4220000 4022.6752 20497.3408 14525.5737 248.3997 -203761.1454 2513.9568 0.0000 0.0000 52322.8816 -109630.3176 300.7003 -161953.1992 -109258.8463 299.2168 -199.4670 -168.8777 760833.8666 0.7590 0.5505 PRESSURE: 4220200 116.611 38.663 -34.4678 38.6631 343.276 76.8893 -34.4685 76.8908 313.03 GPRESSURE: 4220200 269.353 43.8597 -78.4999 44.2759 307.787 4.0812 198.272 58.6295 312.87 PRESSAVG: 4220200 -7.78196 -23.7872 17.4447 -23.7872 18.4312 -19.2579 17.4447 -19.2579 0.05782 GPRESSAVG: 4220200 -6.24445 -24.3332 17.9795 -25.1231 17.472 -19.7624 17.9011 -22.5115 -0.550257 TIMING: 4220200 CPU: 13411.2, 0.00318147/step Wall: 13411.2, 0.00318147/step, 0.689141 hours remaining, 238.675781 MB of memory in use. ENERGY: 4220200 3969.7463 20560.7316 14480.6904 239.5054 -203948.5411 2938.5318 0.0000 0.0000 52012.3106 -109747.0249 298.9155 -161759.3355 -109386.6901 299.0531 257.6390 296.6701 762001.0385 3.5690 3.5591 LDB: ============= START OF LOAD BALANCING ============== 13423.6 LDB: ============== END OF LOAD BALANCING =============== 13423.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13423.6 LDB: ============= START OF LOAD BALANCING ============== 13423.9 LDB: Largest compute 7075 load 0.035983 is 18.4% of average load 0.196012 LDB: Average compute 0.004419 is 2.3% of average load 0.196012 LDB: TIME 13423.9 LOAD: AVG 0.196012 MAX 0.224047 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.512 MB LDB: TIME 13423.9 LOAD: AVG 0.196012 MAX 0.224047 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.512 MB LDB: TIME 13423.9 LOAD: AVG 0.196012 MAX 0.215448 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.512 MB LDB: ============== END OF LOAD BALANCING =============== 13423.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13423.9 PRESSURE: 4220400 -240.801 94.3979 40.9574 94.3973 -38.7041 144.477 40.957 144.477 -264.045 GPRESSURE: 4220400 -182.7 22.307 58.0144 84.7796 -8.95418 158.451 52.8385 78.0957 -287.924 PRESSAVG: 4220400 -7.77117 -25.2662 74.2936 -25.2663 12.2048 21.4882 74.2936 21.4882 -2.53192 GPRESSAVG: 4220400 -8.90476 -25.9881 73.806 -24.9038 12.5964 21.1664 75.5071 23.3309 -1.82576 TIMING: 4220400 CPU: 13411.8, 0.00322641/step Wall: 13411.8, 0.00322641/step, 0.698698 hours remaining, 237.843750 MB of memory in use. ENERGY: 4220400 4067.4512 20570.5875 14461.0602 249.6115 -203721.3439 2571.2012 0.0000 0.0000 52074.3106 -109727.1217 299.2718 -161801.4323 -109368.1971 298.8029 -181.1833 -159.8594 763651.3582 0.6339 0.6220 PRESSURE: 4220600 117.302 22.2407 51.2403 22.2404 297.453 4.18466 51.2394 4.18452 139.158 GPRESSURE: 4220600 128.374 2.47194 84.1159 134.079 316.711 4.91584 44.682 46.8241 170.6 PRESSAVG: 4220600 -26.7424 26.8829 11.9415 26.8828 -6.73446 6.51751 11.9415 6.51748 -1.90946 GPRESSAVG: 4220600 -26.9531 27.6535 12.018 27.2088 -6.33171 6.26445 12.7637 7.68426 -2.07484 TIMING: 4220600 CPU: 13412.5, 0.0031752/step Wall: 13412.5, 0.0031752/step, 0.68743 hours remaining, 238.046875 MB of memory in use. ENERGY: 4220600 4026.7869 20519.0105 14526.8378 240.4659 -204013.4469 2814.5344 0.0000 0.0000 52116.0133 -109769.7980 299.5114 -161885.8114 -109401.6647 298.9319 184.6377 205.2285 759878.5800 -11.7955 -11.7865 PRESSURE: 4220800 146.269 -119.493 -119.943 -119.493 369.598 -0.13211 -119.944 -0.132519 140.188 GPRESSURE: 4220800 140.983 -134.656 -182.258 -202.383 469.022 28.721 -9.51831 38.8847 145.193 PRESSAVG: 4220800 -61.3733 5.87765 47.4362 5.87765 32.3545 42.0509 47.4362 42.0509 11.6273 GPRESSAVG: 4220800 -60.4414 5.39384 47.9541 6.34862 32.1327 42.4393 47.6701 41.2498 10.9485 TIMING: 4220800 CPU: 13413.1, 0.00317596/step Wall: 13413.1, 0.00317596/step, 0.687419 hours remaining, 238.046875 MB of memory in use. ENERGY: 4220800 3946.5845 20421.1104 14424.3261 238.7317 -203587.7511 2623.8060 0.0000 0.0000 52020.3718 -109912.8206 298.9618 -161933.1924 -109546.1759 298.1888 218.6848 251.7324 760008.4401 -5.7972 -5.7867 PRESSURE: 4221000 59.1149 -170.687 -58.3678 -170.688 -59.7231 -51.3139 -58.368 -51.3135 -209.413 GPRESSURE: 4221000 34.5607 -150.534 -22.9916 -203.601 -35.5472 -129.849 -145.844 -58.7895 -135.868 PRESSAVG: 4221000 -55.702 -53.6042 71.7458 -53.6042 54.4651 1.92847 71.7457 1.92849 11.4574 GPRESSAVG: 4221000 -56.3796 -53.1204 72.6247 -54.4277 54.6301 -0.160303 70.9728 1.81139 12.0946 TIMING: 4221000 CPU: 13413.7, 0.00318931/step Wall: 13413.7, 0.00318931/step, 0.690131 hours remaining, 238.046875 MB of memory in use. ENERGY: 4221000 3971.6910 20642.3463 14408.3621 249.7334 -203424.7428 2365.7453 0.0000 0.0000 51993.6220 -109793.2426 298.8081 -161786.8647 -109439.3527 298.3027 -70.0072 -45.6181 760376.8670 3.4068 3.4484 PRESSURE: 4221200 -120.216 87.7192 226.895 87.7188 161.264 216.151 226.896 216.152 142.11 GPRESSURE: 4221200 8.24308 8.2759 200.455 106.336 145.099 194.669 120.692 135.825 137.212 PRESSAVG: 4221200 2.7196 12.8462 10.6141 12.8461 -1.33146 -9.99542 10.6141 -9.99551 1.36261 GPRESSAVG: 4221200 3.27421 12.715 10.4896 13.2573 -2.74897 -7.99352 10.0658 -10.4356 1.38331 TIMING: 4221200 CPU: 13414.4, 0.00316858/step Wall: 13414.4, 0.00316858/step, 0.68547 hours remaining, 238.046875 MB of memory in use. ENERGY: 4221200 3954.2075 20507.4874 14480.6386 245.6916 -203746.1679 2880.3331 0.0000 0.0000 51899.4969 -109778.3128 298.2671 -161677.8097 -109416.5607 298.7753 61.0525 96.8512 759932.3524 0.9169 0.6362 PRESSURE: 4221400 -450.254 -49.3408 135.212 -49.3408 -656.558 -33.7054 135.211 -33.7036 -228.244 GPRESSURE: 4221400 -399.854 -103.776 248.741 -138.164 -573.707 26.8393 28.3688 -157.908 -269.889 PRESSAVG: 4221400 26.3649 -22.7056 62.1157 -22.7056 -31.0068 -4.85334 62.1157 -4.85339 4.94386 GPRESSAVG: 4221400 25.2519 -23.2511 63.4237 -24.079 -30.0517 -6.30315 61.148 -4.76039 4.28844 TIMING: 4221400 CPU: 13415, 0.00316403/step Wall: 13415, 0.00316403/step, 0.68431 hours remaining, 238.046875 MB of memory in use. ENERGY: 4221400 4020.1403 20502.6657 14446.9698 232.2567 -203046.5263 2134.0664 0.0000 0.0000 51840.4281 -109869.9993 297.9277 -161710.4274 -109502.1211 298.2523 -445.0185 -414.4833 763298.2847 0.1006 -0.1705 PRESSURE: 4221600 -17.1901 -62.2539 94.0473 -62.2537 42.729 60.7254 94.0477 60.7266 56.6208 GPRESSURE: 4221600 63.5604 -113.746 178.679 24.9404 177.869 166.723 23.1818 30.1938 -54.4102 PRESSAVG: 4221600 57.6771 2.20009 8.42576 2.20012 -46.887 -36.6277 8.42577 -36.6277 2.5347 GPRESSAVG: 4221600 56.9238 3.40838 7.187 3.06139 -45.8731 -35.2112 6.91205 -40.0781 2.01842 TIMING: 4221600 CPU: 13415.6, 0.00314627/step Wall: 13415.6, 0.00314627/step, 0.680293 hours remaining, 238.046875 MB of memory in use. ENERGY: 4221600 3957.0672 20531.4511 14459.3290 260.1634 -203738.5148 2704.9934 0.0000 0.0000 51974.2986 -109851.2120 298.6970 -161825.5106 -109494.2956 298.8246 27.3866 62.3397 761374.7322 4.4416 4.3564 PRESSURE: 4221800 -22.0238 124.364 -214.537 124.365 174.707 104.065 -214.538 104.065 119.91 GPRESSURE: 4221800 -31.2914 47.6118 -183.673 30.6531 201.756 161.922 -107.422 1.68873 185.727 PRESSAVG: 4221800 47.782 -15.7588 23.4734 -15.7588 -71.2184 -11.5286 23.4734 -11.5286 18.3582 GPRESSAVG: 4221800 47.8184 -15.9646 24.6283 -16.527 -71.7679 -12.6505 25.6589 -6.1511 19.0159 TIMING: 4221800 CPU: 13416.3, 0.00317856/step Wall: 13416.3, 0.00317856/step, 0.687099 hours remaining, 238.046875 MB of memory in use. ENERGY: 4221800 4037.0589 20480.2333 14555.4463 280.1418 -203770.1702 2953.3543 0.0000 0.0000 51709.0120 -109754.9236 297.1724 -161463.9356 -109396.4842 297.8496 90.8644 118.7305 761639.9681 -1.6927 -1.6445 PRESSURE: 4222000 -63.4288 -108.368 104.036 -108.369 100.819 37.0853 104.035 37.0857 -181.699 GPRESSURE: 4222000 -38.8143 9.14016 48.6245 -148.71 91.8893 84.3188 94.1327 32.8202 -123.178 PRESSAVG: 4222000 11.8873 -18.1332 66.9383 -18.1332 -34.405 -46.7258 66.9383 -46.7259 11.6944 GPRESSAVG: 4222000 12.4964 -17.1099 66.769 -15.9888 -35.895 -47.1786 67.0466 -48.7962 12.1348 TIMING: 4222000 CPU: 13416.9, 0.00315594/step Wall: 13416.9, 0.00315594/step, 0.682034 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4222000 3999.3710 20615.0683 14383.7687 245.4571 -203284.4432 2449.6425 0.0000 0.0000 52147.0899 -109444.0457 299.6900 -161591.1356 -109072.0241 298.6315 -48.1028 -23.3677 761048.5049 -3.6077 -3.7546 PRESSURE: 4222200 207.432 123.137 179.468 123.138 194.669 164.632 179.468 164.633 -7.23106 GPRESSURE: 4222200 306.652 25.5151 123.165 68.1781 168.09 118.109 220.551 112.774 7.97471 PRESSAVG: 4222200 87.0946 -8.01996 -6.42216 -8.01996 -53.127 -31.8203 -6.42215 -31.8203 -23.8556 GPRESSAVG: 4222200 86.4944 -8.49179 -8.32553 -10.5268 -52.4235 -29.6437 -3.92076 -33.6627 -24.4493 TIMING: 4222200 CPU: 13417.5, 0.00317427/step Wall: 13417.5, 0.00317427/step, 0.685819 hours remaining, 238.046875 MB of memory in use. ENERGY: 4222200 3920.2043 20489.9483 14490.1997 237.3007 -203032.5613 2385.0526 0.0000 0.0000 52017.1534 -109492.7023 298.9433 -161509.8557 -109133.6081 298.8548 131.6234 160.9054 760718.3649 3.3707 3.2072 PRESSURE: 4222400 -550.775 -104.709 245.296 -104.71 -411.101 -28.0185 245.296 -28.0194 -172.528 GPRESSURE: 4222400 -450.356 -174.216 327.996 -155.966 -478.339 41.775 134.261 24.3688 -120.226 PRESSAVG: 4222400 68.9754 23.1572 3.60749 23.1572 -43.828 -96.659 3.6074 -96.659 7.09133 GPRESSAVG: 4222400 68.4597 21.3015 6.00189 24.8632 -42.8822 -97.5482 0.501749 -94.2054 6.35948 TIMING: 4222400 CPU: 13418.2, 0.00315017/step Wall: 13418.2, 0.00315017/step, 0.680436 hours remaining, 238.046875 MB of memory in use. ENERGY: 4222400 4059.7402 20607.1159 14529.8224 237.1436 -202891.7204 2244.7167 0.0000 0.0000 52023.4885 -109189.6930 298.9797 -161213.1815 -108829.3461 299.5876 -378.1346 -349.6403 762277.4746 10.7462 10.6457 PRESSURE: 4222600 -274.588 125.016 7.89674 125.016 62.3834 93.9406 7.89712 93.9414 -183.144 GPRESSURE: 4222600 -214.933 10.5908 -36.4533 91.0168 31.2609 43.5028 -0.654231 -45.6113 -115.975 PRESSAVG: 4222600 11.5671 -27.8041 15.3166 -27.8041 -28.4432 -93.6647 15.3167 -93.6647 4.301 GPRESSAVG: 4222600 11.7756 -26.1376 13.308 -28.5823 -28.9813 -95.1022 14.5933 -93.4096 4.22777 TIMING: 4222600 CPU: 13418.8, 0.00317173/step Wall: 13418.8, 0.00317173/step, 0.684918 hours remaining, 238.046875 MB of memory in use. ENERGY: 4222600 3995.1081 20518.9634 14461.9023 238.0919 -203078.2302 2691.3175 0.0000 0.0000 52101.9661 -109070.8809 299.4307 -161172.8470 -108718.1241 299.6481 -131.7827 -99.8822 761901.5534 -4.1917 -4.3260 PRESSURE: 4222800 62.4496 119.178 -72.9887 119.178 -383.451 11.5658 -72.9874 11.5659 -507.48 GPRESSURE: 4222800 -113.582 163.036 -94.2963 88.0672 -239.758 17.3581 33.0997 -82.5649 -368.067 PRESSAVG: 4222800 37.343 -7.38208 -7.75462 -7.38207 1.3196 -6.03247 -7.75464 -6.03244 15.7085 GPRESSAVG: 4222800 37.7367 -8.25713 -5.22447 -8.01981 0.681114 -4.87786 -7.10742 -8.04851 16.1369 TIMING: 4222800 CPU: 13419.5, 0.00328795/step Wall: 13419.5, 0.00328795/step, 0.709832 hours remaining, 238.046875 MB of memory in use. ENERGY: 4222800 4015.0244 20523.8423 14481.5954 257.4998 -203075.2266 2611.7835 0.0000 0.0000 52054.7146 -109130.7665 299.1592 -161185.4811 -108774.7472 299.8330 -276.1604 -240.4690 763885.1063 18.1237 18.1849 PRESSURE: 4223000 172.782 -96.513 0.239304 -96.5126 20.3024 -131.839 0.239182 -131.837 185.669 GPRESSURE: 4223000 170.478 -137.235 11.7337 -32.3883 81.008 -114.566 84.0209 17.0691 219.215 PRESSAVG: 4223000 27.0363 48.5835 -2.04701 48.5835 -14.4514 -28.7044 -2.04697 -28.7045 -23.1703 GPRESSAVG: 4223000 26.7661 47.8791 -4.94664 48.1115 -14.6869 -29.201 1.02316 -27.4944 -22.3377 TIMING: 4223000 CPU: 13420.1, 0.00317219/step Wall: 13420.1, 0.00317219/step, 0.684664 hours remaining, 238.046875 MB of memory in use. ENERGY: 4223000 4044.5643 20523.8655 14596.3630 253.5747 -203705.8099 3131.0579 0.0000 0.0000 52157.2899 -108999.0946 299.7487 -161156.3844 -108629.6392 299.8085 126.2512 156.9003 761033.1346 -3.5285 -3.4195 PRESSURE: 4223200 -160.081 11.7158 106.336 11.7159 -76.5042 -194.317 106.336 -194.317 66.7243 GPRESSURE: 4223200 -97.6268 65.7264 230.791 -14.766 -106.081 -109.071 81.4354 -93.7315 122.639 PRESSAVG: 4223200 -22.8389 -25.3717 -0.185916 -25.3718 4.07011 -18.2342 -0.185839 -18.2341 -12.9823 GPRESSAVG: 4223200 -21.7365 -25.5539 2.74237 -23.4142 2.90575 -18.3503 -2.84391 -19.6365 -13.0918 TIMING: 4223200 CPU: 13420.7, 0.0031747/step Wall: 13420.7, 0.0031747/step, 0.68503 hours remaining, 238.046875 MB of memory in use. ENERGY: 4223200 3990.8537 20562.8847 14525.2366 266.7168 -202882.5826 2482.6244 0.0000 0.0000 52092.4699 -108961.7964 299.3761 -161054.2663 -108608.8237 300.1434 -56.6202 -27.0231 762919.4056 -10.5837 -10.6409 PRESSURE: 4223400 263.561 -107.455 -147.5 -107.455 211.652 -49.7245 -147.5 -49.7234 -180.851 GPRESSURE: 4223400 211.405 -58.1376 -111.059 -166.247 259.181 -20.0069 -98.5069 -121.924 -88.8055 PRESSAVG: 4223400 20.5124 -6.65012 -7.54447 -6.65014 -13.7013 -0.338452 -7.54445 -0.338474 -15.695 GPRESSAVG: 4223400 20.6989 -5.85404 -7.26223 -8.10383 -14.1841 1.28986 -8.74233 -0.389268 -15.5473 TIMING: 4223400 CPU: 13421.4, 0.00329498/step Wall: 13421.4, 0.00329498/step, 0.710801 hours remaining, 238.046875 MB of memory in use. ENERGY: 4223400 4035.3982 20513.9861 14546.5589 247.2554 -203521.5655 2822.4170 0.0000 0.0000 52064.7792 -109291.1707 299.2170 -161355.9500 -108935.1339 299.8230 98.1204 127.2601 762766.7777 -2.9613 -3.0108 PRESSURE: 4223600 -326.457 -155.221 -240.744 -155.22 -38.1329 135.176 -240.744 135.178 263.428 GPRESSURE: 4223600 -255.41 -139.686 -140.991 -247.595 -31.3565 51.1077 -300.298 144.804 279.862 PRESSAVG: 4223600 -33.5665 22.0628 -11.4166 22.0629 18.3331 46.2021 -11.4166 46.2021 1.43038 GPRESSAVG: 4223600 -34.7113 22.7938 -12.3728 21.8131 20.0849 43.6284 -11.2442 48.9898 0.918662 TIMING: 4223600 CPU: 13422, 0.00317994/step Wall: 13422, 0.00317994/step, 0.685807 hours remaining, 238.046875 MB of memory in use. ENERGY: 4223600 4011.6001 20583.1479 14470.6089 247.0570 -203665.5478 2767.0778 0.0000 0.0000 52129.3267 -109456.7293 299.5880 -161586.0560 -109100.6087 298.8965 -33.7206 -2.3013 762983.8886 -4.6010 -4.5692 PRESSURE: 4223800 86.8075 -67.7571 -77.8562 -67.7574 -218.286 269.17 -77.856 269.17 -435.671 GPRESSURE: 4223800 88.4574 -71.0849 -192.829 29.5703 -235.177 293.287 58.8172 291.82 -320.414 PRESSAVG: 4223800 7.34587 16.5404 -25.7339 16.5404 18.9239 -27.3878 -25.7339 -27.3878 18.351 GPRESSAVG: 4223800 7.83263 14.6639 -27.4397 17.5527 18.4067 -26.3187 -25.5115 -28.4754 18.0779 TIMING: 4223800 CPU: 13422.7, 0.00320505/step Wall: 13422.7, 0.00320505/step, 0.691044 hours remaining, 238.046875 MB of memory in use. ENERGY: 4223800 3944.9545 20509.4525 14418.9867 228.3419 -203681.7483 2848.5882 0.0000 0.0000 52186.4292 -109544.9953 299.9161 -161731.4245 -109190.0248 299.1229 -189.0500 -155.7112 763564.9443 14.8736 14.7724 PRESSURE: 4224000 -212.404 -158.638 48.8158 -158.638 -207.202 -70.5268 48.816 -70.5263 -280.009 GPRESSURE: 4224000 -78.081 -120.623 48.1689 -24.3759 -301.294 17.7097 142.391 -32.5594 -222.657 PRESSAVG: 4224000 70.1186 13.2245 -10.7349 13.2245 -80.4503 -3.86456 -10.7349 -3.86452 -2.34071 GPRESSAVG: 4224000 70.4883 13.5265 -10.3841 14.5909 -79.7292 -2.48593 -10.3499 -4.95221 -2.98201 TIMING: 4224000 CPU: 13423.3, 0.00319628/step Wall: 13423.3, 0.00319628/step, 0.688975 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4224000 3934.0961 20562.1428 14469.6470 252.9877 -203085.9129 2406.0183 0.0000 0.0000 51953.0534 -109507.9676 298.5749 -161461.0210 -109146.8618 298.5660 -233.2051 -200.6773 763313.9999 -4.2241 -4.0743 PRESSURE: 4224200 69.846 111.555 27.9246 111.555 75.7461 32.7653 27.9253 32.7659 352.173 GPRESSURE: 4224200 49.0402 141.523 57.1916 -54.9114 151.533 32.4115 -65.6883 -48.5284 349.745 PRESSAVG: 4224200 -14.0302 -16.3689 -0.631622 -16.369 -9.02101 37.1693 -0.631626 37.1693 -8.76655 GPRESSAVG: 4224200 -15.1556 -15.5523 -1.56831 -18.2873 -9.26361 36.1385 1.39742 35.6007 -7.2476 TIMING: 4224200 CPU: 13423.9, 0.0031658/step Wall: 13423.9, 0.0031658/step, 0.68223 hours remaining, 238.046875 MB of memory in use. ENERGY: 4224200 3976.2490 20401.5677 14370.6893 227.7314 -203452.9821 2543.4988 0.0000 0.0000 52146.7466 -109786.4992 299.6881 -161933.2458 -109419.4600 298.6484 165.9216 183.4395 761053.4849 -10.6059 -10.5556 LDB: ============= START OF LOAD BALANCING ============== 13436.3 LDB: ============== END OF LOAD BALANCING =============== 13436.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13436.3 LDB: ============= START OF LOAD BALANCING ============== 13436.6 LDB: Largest compute 7024 load 0.036154 is 18.4% of average load 0.195990 LDB: Average compute 0.004383 is 2.2% of average load 0.195990 LDB: TIME 13436.7 LOAD: AVG 0.19599 MAX 0.218844 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13436.7 LOAD: AVG 0.19599 MAX 0.218844 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 13436.7 LOAD: AVG 0.19599 MAX 0.217991 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 13436.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13436.7 PRESSURE: 4224400 -190.887 -75.143 -64.987 -75.1431 -227.995 -170.747 -64.988 -170.745 -424.829 GPRESSURE: 4224400 -141.065 45.2451 -55.9535 -146.316 -215.842 -173.68 -59.0603 -43.9008 -428.868 PRESSAVG: 4224400 23.3085 -31.9833 15.6725 -31.9832 -2.83993 78.9505 15.6726 78.9506 -5.2304 GPRESSAVG: 4224400 23.6506 -32.6669 18.1139 -32.6188 -1.74441 79.2182 14.1557 79.5836 -5.86296 TIMING: 4224400 CPU: 13424.6, 0.00324769/step Wall: 13424.6, 0.00324769/step, 0.699696 hours remaining, 238.875000 MB of memory in use. ENERGY: 4224400 3983.8219 20629.1903 14412.9477 237.6458 -203016.0168 2217.5672 0.0000 0.0000 51830.0933 -109704.7506 297.8683 -161534.8439 -109349.6893 298.5203 -281.2369 -261.9252 761231.0536 5.0794 5.3477 PRESSURE: 4224600 -215.595 -176.333 67.03 -176.332 40.6194 -72.8107 67.0297 -72.812 155.068 GPRESSURE: 4224600 -139.376 -138.116 118.435 -101.746 -3.76054 -75.2491 -20.2556 -30.3164 187.518 PRESSAVG: 4224600 13.2692 -4.50041 -22.3092 -4.50039 -16.6919 -38.5365 -22.3092 -38.5365 4.07106 GPRESSAVG: 4224600 14.5659 -5.10317 -24.491 -5.05114 -17.8592 -38.3462 -21.717 -35.1216 4.11614 TIMING: 4224600 CPU: 13425.2, 0.00316022/step Wall: 13425.2, 0.00316022/step, 0.680675 hours remaining, 238.875000 MB of memory in use. ENERGY: 4224600 4011.0297 20615.9511 14522.6113 238.3880 -203609.9724 2765.5541 0.0000 0.0000 51719.1430 -109737.2951 297.2306 -161456.4382 -109381.6886 298.7052 -6.6357 14.7937 761954.9866 0.2161 0.2743 PRESSURE: 4224800 -147.963 -112.719 -56.2535 -112.719 -29.0336 108.97 -56.2536 108.97 -288.081 GPRESSURE: 4224800 -89.673 23.8832 51.4559 -15.7579 -78.5952 292.104 -52.9848 40.4775 -234.437 PRESSAVG: 4224800 -7.71701 -55.5247 -15.9546 -55.5247 20.8059 -55.8451 -15.9545 -55.845 1.92894 GPRESSAVG: 4224800 -8.80569 -56.5358 -14.1393 -53.4256 21.0035 -55.9272 -16.3744 -58.3249 2.77316 TIMING: 4224800 CPU: 13425.8, 0.00317266/step Wall: 13425.8, 0.00317266/step, 0.683179 hours remaining, 238.875000 MB of memory in use. ENERGY: 4224800 4011.6895 20522.4898 14488.5880 248.4932 -203382.8749 2393.6031 0.0000 0.0000 52074.4385 -109643.5727 299.2725 -161718.0112 -109289.3545 299.1079 -155.0259 -134.2350 760822.8782 5.0059 4.9903 PRESSURE: 4225000 -208.108 13.7483 -115.12 13.7476 -189.041 36.197 -115.12 36.1977 186.188 GPRESSURE: 4225000 -151.884 9.75198 -101.552 -0.576256 -117.921 81.4622 -129.659 -26.7861 162.936 PRESSAVG: 4225000 18.3273 8.19613 2.59638 8.19606 -4.23422 12.6037 2.59635 12.6038 37.3161 GPRESSAVG: 4225000 20.1241 11.4171 1.43235 7.9996 -3.95561 11.3314 4.04395 13.1877 35.656 TIMING: 4225000 CPU: 13426.5, 0.00317937/step Wall: 13426.5, 0.00317937/step, 0.684449 hours remaining, 238.875000 MB of memory in use. ENERGY: 4225000 3955.2098 20461.1347 14505.2439 242.9547 -203008.2421 2370.7890 0.0000 0.0000 52128.8108 -109344.0993 299.5850 -161472.9101 -109002.9048 299.1057 -70.3204 -35.6229 764276.7429 17.1364 17.2748 PRESSURE: 4225200 -8.37068 50.8363 -207.491 50.8362 161.324 132.761 -207.492 132.762 304.818 GPRESSURE: 4225200 80.1693 50.2183 -198.328 171.528 106.001 141.891 -224.418 181.399 353.24 PRESSAVG: 4225200 8.20181 -14.6876 11.0002 -14.6875 -58.4752 21.351 11.0001 21.3511 11.1754 GPRESSAVG: 4225200 7.89684 -16.0189 11.154 -14.1009 -59.994 20.797 8.83248 22.0144 12.8919 TIMING: 4225200 CPU: 13427.1, 0.00316923/step Wall: 13427.1, 0.00316923/step, 0.682089 hours remaining, 238.875000 MB of memory in use. ENERGY: 4225200 3992.2039 20611.7160 14439.6900 243.9284 -203753.1758 2815.0995 0.0000 0.0000 52286.1895 -109364.3485 300.4894 -161650.5380 -109005.9652 299.3509 152.5904 179.8036 761450.1814 -13.0327 -13.0684 PRESSURE: 4225400 290.324 266.467 100.242 266.468 -267.031 58.7454 100.242 58.7454 -25.8951 GPRESSURE: 4225400 232.991 211.423 31.8773 172.553 -113.535 32.2381 23.7507 90.9837 -43.7615 PRESSAVG: 4225400 55.5087 -21.1282 37.4848 -21.1282 -32.2277 -29.5753 37.4848 -29.5752 11.6787 GPRESSAVG: 4225400 55.7045 -20.7761 37.5339 -21.9565 -31.9469 -28.5186 39.2942 -29.2272 10.6613 TIMING: 4225400 CPU: 13427.8, 0.00318764/step Wall: 13427.8, 0.00318764/step, 0.685874 hours remaining, 238.875000 MB of memory in use. ENERGY: 4225400 3967.3413 20504.2089 14553.6394 262.4148 -203495.0979 2710.3171 0.0000 0.0000 52128.3828 -109368.7936 299.5825 -161497.1764 -109008.0716 299.7800 -0.8674 25.2316 761268.8929 11.6532 11.4730 PRESSURE: 4225600 122.363 -85.7698 -36.3298 -85.77 95.1621 -361.621 -36.3291 -361.621 359.116 GPRESSURE: 4225600 149.62 -207.865 -8.02266 8.76208 182.017 -348.479 106.86 -347.422 334.293 PRESSAVG: 4225600 -9.67612 -14.0417 19.0879 -14.0418 -5.41128 -37.01 19.0879 -37.01 11.2796 GPRESSAVG: 4225600 -9.85281 -14.5669 19.7981 -14.6825 -6.1569 -36.7149 17.1733 -38.5163 11.6699 TIMING: 4225600 CPU: 13428.4, 0.00317261/step Wall: 13428.4, 0.00317261/step, 0.682463 hours remaining, 238.875000 MB of memory in use. ENERGY: 4225600 3957.2675 20463.3643 14469.0832 219.4091 -203561.5965 2843.2344 0.0000 0.0000 52312.7632 -109296.4747 300.6422 -161609.2379 -108938.3569 299.9068 192.2138 221.9769 762710.4465 -1.2693 -1.4466 PRESSURE: 4225800 132.313 47.4691 -135.369 47.4702 -90.7681 -112.236 -135.369 -112.236 94.7565 GPRESSURE: 4225800 164.061 75.0131 -126.159 -27.3177 -80.1985 -202.952 -169.917 -49.1004 135.667 PRESSAVG: 4225800 -1.5834 -19.2192 -1.43853 -19.2192 -31.6361 -6.23499 -1.43856 -6.2349 -31.6417 GPRESSAVG: 4225800 -2.0549 -18.3252 -1.49815 -18.8521 -30.9262 -6.02267 -0.350371 -5.75938 -32.5115 TIMING: 4225800 CPU: 13429, 0.00318395/step Wall: 13429, 0.00318395/step, 0.684727 hours remaining, 238.875000 MB of memory in use. ENERGY: 4225800 3956.6574 20686.0112 14475.4698 231.4417 -203516.3139 2743.6488 0.0000 0.0000 52078.1382 -109344.9469 299.2938 -161423.0851 -108978.1194 299.6267 45.4337 73.1763 762375.0539 -21.6204 -21.8308 PRESSURE: 4226000 107.29 32.5822 107.66 32.5824 -173.781 74.8559 107.66 74.855 -5.60608 GPRESSURE: 4226000 77.8302 108.541 62.5373 55.4798 -89.0183 43.5651 50.9453 153.333 24.8374 PRESSAVG: 4226000 32.0717 -3.06606 7.69873 -3.0661 -7.27954 20.8785 7.69876 20.8786 -3.03466 GPRESSAVG: 4226000 31.661 -1.97835 7.55859 -2.32971 -7.36338 21.5928 7.18325 21.9961 -2.60956 TIMING: 4226000 CPU: 13429.7, 0.00321364/step Wall: 13429.7, 0.00321364/step, 0.690932 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4226000 3993.3137 20668.6555 14462.3257 261.8396 -203430.8482 2554.6895 0.0000 0.0000 52319.6030 -109170.4212 300.6815 -161490.0242 -108800.8573 299.2232 -24.0326 4.5498 764093.7694 7.2525 7.2293 PRESSURE: 4226200 84.0269 51.2776 126.029 51.2775 -20.5208 -79.051 126.029 -79.0507 -217.781 GPRESSURE: 4226200 93.5928 3.55199 178.574 206.98 26.7506 -25.5743 147.885 -132.298 -209.053 PRESSAVG: 4226200 -33.9029 16.1236 32.4723 16.1237 -2.69888 -5.97422 32.4724 -5.97423 34.5035 GPRESSAVG: 4226200 -33.4979 14.0004 30.835 15.1025 -3.80487 -7.4206 33.3105 -9.188 34.8539 TIMING: 4226200 CPU: 13430.3, 0.00318792/step Wall: 13430.3, 0.00318792/step, 0.685226 hours remaining, 238.875000 MB of memory in use. ENERGY: 4226200 4006.3515 20522.6393 14467.6459 264.5481 -203103.7312 2488.8074 0.0000 0.0000 52236.5443 -109117.1947 300.2041 -161353.7390 -108751.6777 299.8485 -51.4250 -29.5699 764123.1167 -0.6994 -0.8163 PRESSURE: 4226400 97.6649 14.9067 39.533 14.9074 135.367 -7.70408 39.5331 -7.70479 23.5239 GPRESSURE: 4226400 199.623 87.1176 -76.0338 87.4673 153.315 -4.61633 15.7429 -83.1866 -9.90455 PRESSAVG: 4226400 68.9972 -25.2011 22.1455 -25.2011 -60.7295 61.6727 22.1455 61.6728 -16.9358 GPRESSAVG: 4226400 69.2416 -24.6005 22.1106 -23.6553 -59.9145 62.5875 19.7759 62.7689 -18.1149 TIMING: 4226400 CPU: 13430.9, 0.00316474/step Wall: 13430.9, 0.00316474/step, 0.680067 hours remaining, 238.875000 MB of memory in use. ENERGY: 4226400 4031.3185 20725.6951 14528.1580 263.0007 -203528.3466 2825.9635 0.0000 0.0000 52140.1945 -109014.0164 299.6504 -161154.2108 -108650.9218 299.9972 85.5187 114.3445 762033.1860 -2.8894 -2.9293 PRESSURE: 4226600 211.558 114.541 31.5603 114.542 30.8063 -76.0466 31.5601 -76.0463 -46.7424 GPRESSURE: 4226600 249.973 217.569 -30.515 39.966 137.945 -104.303 90.7935 -21.4936 -101.759 PRESSAVG: 4226600 10.6624 -0.472537 8.23758 -0.472578 -49.7172 45.4832 8.23758 45.4833 8.1228 GPRESSAVG: 4226600 10.7386 1.48598 9.16675 -1.40743 -50.1049 46.0345 10.2737 45.6675 8.96338 TIMING: 4226600 CPU: 13431.6, 0.00319015/step Wall: 13431.6, 0.00319015/step, 0.68535 hours remaining, 238.875000 MB of memory in use. ENERGY: 4226600 3927.3524 20726.9865 14469.8820 234.2025 -203396.8393 2575.4519 0.0000 0.0000 52420.3046 -109042.6594 301.2602 -161462.9640 -108671.3798 299.8645 65.2072 95.3867 762150.6207 -10.3106 -10.1343 PRESSURE: 4226800 43.5495 20.7918 2.59695 20.7911 -314.105 166.819 2.59768 166.82 -525.127 GPRESSURE: 4226800 -12.0954 124.941 11.1871 47.8403 -161.76 161.452 -28.4853 156.58 -537.896 PRESSAVG: 4226800 30.5548 -1.53993 27.3052 -1.53996 0.40824 12.5253 27.3051 12.5253 -17.9733 GPRESSAVG: 4226800 29.1878 -4.90595 27.0826 -2.23239 1.16388 11.7252 26.5198 13.1974 -16.851 TIMING: 4226800 CPU: 13432.2, 0.00318166/step Wall: 13432.2, 0.00318166/step, 0.68335 hours remaining, 238.875000 MB of memory in use. ENERGY: 4226800 4033.6093 20770.6914 14526.1065 245.8413 -203077.1791 2549.9319 0.0000 0.0000 51877.2040 -109073.7947 298.1390 -160950.9987 -108712.2023 299.7465 -265.2276 -237.2504 762079.2496 4.3299 4.5002 PRESSURE: 4227000 -459.92 -144.278 -102.128 -144.28 -522.897 -28.207 -102.129 -28.2077 -550.611 GPRESSURE: 4227000 -393.411 -284.103 -184.791 -35.197 -557.818 -16.3226 3.83839 -4.72533 -506.343 PRESSAVG: 4227000 -8.54795 11.2051 -14.9602 11.2051 25.5583 35.6691 -14.9601 35.6691 25.8947 GPRESSAVG: 4227000 -7.19928 12.1313 -15.7388 14.7768 26.1932 36.9411 -13.3596 34.5044 24.6305 TIMING: 4227000 CPU: 13432.8, 0.00318996/step Wall: 13432.8, 0.00318996/step, 0.684954 hours remaining, 238.875000 MB of memory in use. ENERGY: 4227000 4029.5777 20634.5988 14464.7986 247.7498 -203168.1610 2391.7797 0.0000 0.0000 52305.2967 -109094.3597 300.5993 -161399.6565 -108728.5562 299.8606 -511.1427 -485.8575 762051.6681 14.3017 14.5415 PRESSURE: 4227200 -282.691 -87.7868 103.726 -87.7867 -400.429 -41.3992 103.726 -41.3989 -97.0111 GPRESSURE: 4227200 -384.366 -63.9807 148.645 -48.1142 -288.866 -45.2053 219.478 -68.5208 -8.75849 PRESSAVG: 4227200 31.7561 -84.9075 12.4473 -84.9076 -40.5583 -23.5125 12.4472 -23.5124 3.85405 GPRESSAVG: 4227200 30.8168 -85.1315 13.3554 -86.9679 -40.8082 -24.9906 10.3632 -22.2092 4.61965 TIMING: 4227200 CPU: 13433.5, 0.00315125/step Wall: 13433.5, 0.00315125/step, 0.676469 hours remaining, 238.875000 MB of memory in use. ENERGY: 4227200 4063.8813 20802.4060 14469.9528 245.7071 -203114.2626 2605.3573 0.0000 0.0000 52027.2797 -108899.6784 299.0015 -160926.9581 -108537.4088 300.1461 -260.0436 -227.3303 762169.8761 -1.6494 -1.7906 PRESSURE: 4227400 59.7918 -144.143 -201.6 -144.143 -170.738 -30.7856 -201.599 -30.786 207.516 GPRESSURE: 4227400 20.8927 -136.444 -167.978 -167.9 -82.2323 -55.9726 -157.811 -43.7826 250.607 PRESSAVG: 4227400 1.48749 12.9548 30.4022 12.9548 -4.06483 -5.22782 30.4022 -5.22782 3.57336 GPRESSAVG: 4227400 2.59228 13.8201 29.4342 12.5075 -4.15842 -5.62234 31.4152 -5.51185 2.14263 TIMING: 4227400 CPU: 13434.1, 0.00314593/step Wall: 13434.1, 0.00314593/step, 0.675152 hours remaining, 238.875000 MB of memory in use. ENERGY: 4227400 4017.2157 20581.9365 14447.6791 240.2388 -203272.9390 2593.1143 0.0000 0.0000 52279.2924 -109113.4623 300.4498 -161392.7547 -108752.9527 300.3968 32.1902 63.0892 761888.8005 0.3320 0.1922 PRESSURE: 4227600 -49.502 -150.234 70.3572 -150.235 -60.924 -42.9625 70.3577 -42.9628 -33.1547 GPRESSURE: 4227600 -123.076 -275.644 73.8609 -141.78 12.9105 -67.0955 39.6069 -8.55605 34.9929 PRESSAVG: 4227600 -33.8738 -25.4858 42.9332 -25.4857 33.3507 -78.274 42.9332 -78.274 22.7651 GPRESSAVG: 4227600 -34.5547 -26.2166 43.0288 -25.7006 33.4117 -77.6485 42.6108 -79.2322 22.6751 TIMING: 4227600 CPU: 13434.7, 0.00316816/step Wall: 13434.7, 0.00316816/step, 0.679747 hours remaining, 238.875000 MB of memory in use. ENERGY: 4227600 3986.8827 20572.3272 14401.3640 259.4736 -203196.4736 2619.9495 0.0000 0.0000 52164.4153 -109192.0612 299.7896 -161356.4766 -108826.0283 299.6259 -47.8602 -25.0576 762743.7234 7.4140 7.1774 PRESSURE: 4227800 -65.6014 -26.359 135.518 -26.3595 115.2 4.75861 135.518 4.75846 170.384 GPRESSURE: 4227800 -86.0846 -21.7389 118.247 -84.0957 247.345 -80.5223 86.2309 40.2819 149.706 PRESSAVG: 4227800 -41.3234 -60.1921 16.1708 -60.1921 46.5308 -1.87403 16.1707 -1.87403 3.90319 GPRESSAVG: 4227800 -41.5033 -60.0929 16.6288 -60.3085 45.9775 -3.99159 16.7238 0.39948 4.56969 TIMING: 4227800 CPU: 13435.4, 0.00316446/step Wall: 13435.4, 0.00316446/step, 0.678778 hours remaining, 238.875000 MB of memory in use. ENERGY: 4227800 3991.0437 20518.3422 14422.5412 265.5670 -203238.3744 2583.2239 0.0000 0.0000 51941.2427 -109516.4138 298.5070 -161457.6565 -109147.3532 299.2286 73.3277 103.6557 761231.1700 3.0369 3.0146 PRESSURE: 4228000 -64.7697 -210.353 -4.08084 -210.353 142.091 59.7996 -4.08071 59.8008 164.615 GPRESSURE: 4228000 -1.06888 -114.338 -79.9031 -128.757 139.29 163.935 85.59 78.3085 205.387 PRESSAVG: 4228000 69.0501 -15.0504 -7.73164 -15.0504 -24.3307 5.30816 -7.73162 5.30814 0.634781 GPRESSAVG: 4228000 69.9323 -16.4064 -6.4202 -12.6991 -24.7861 7.4585 -8.08578 4.04276 -0.222412 TIMING: 4228000 CPU: 13436, 0.0031337/step Wall: 13436, 0.0031337/step, 0.672005 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4228000 4019.0595 20478.2093 14417.2413 245.3523 -203584.1512 2887.0969 0.0000 0.0000 51850.6723 -109686.5195 297.9865 -161537.1919 -109329.3773 298.9541 80.6453 114.5361 760754.3961 15.1180 14.9746 PRESSURE: 4228200 -196.429 -143.62 -152.812 -143.62 32.9601 17.9602 -152.812 17.9599 -329.095 GPRESSURE: 4228200 -111.419 -138.004 -158.191 -103.67 0.856918 -0.922161 -192.004 -32.0848 -285.436 PRESSAVG: 4228200 33.1337 -16.067 -48.6081 -16.067 -3.72546 2.41028 -48.6081 2.41033 13.7645 GPRESSAVG: 4228200 32.8993 -14.3594 -51.4231 -16.924 -3.72472 3.00747 -47.6861 1.75461 14.1451 TIMING: 4228200 CPU: 13436.6, 0.00316461/step Wall: 13436.6, 0.00316461/step, 0.678458 hours remaining, 238.875000 MB of memory in use. ENERGY: 4228200 3990.9393 20421.1858 14457.5243 255.3096 -203734.8511 2596.9100 0.0000 0.0000 51987.3152 -110025.6669 298.7718 -162012.9821 -109660.2568 298.1486 -164.1879 -131.9996 761257.0380 14.3909 14.4399 LDB: ============= START OF LOAD BALANCING ============== 13449 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13449 LDB: =============== DONE WITH MIGRATION ================ 13449 LDB: ============= START OF LOAD BALANCING ============== 13449.3 LDB: Largest compute 7067 load 0.035066 is 17.9% of average load 0.196074 LDB: Average compute 0.004377 is 2.2% of average load 0.196074 LDB: TIME 13449.4 LOAD: AVG 0.196074 MAX 0.222212 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13449.4 LOAD: AVG 0.196074 MAX 0.222212 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 13449.4 LOAD: AVG 0.196074 MAX 0.218545 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 13449.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13449.4 PRESSURE: 4228400 -133.465 99.1551 4.6638 99.1548 135.215 -5.86501 4.66391 -5.86412 -148.235 GPRESSURE: 4228400 -104.422 30.3607 40.2129 94.7476 219.97 -91.626 50.468 15.7431 -170.394 PRESSAVG: 4228400 -16.9221 24.8414 -53.7531 24.8414 71.3427 44.2749 -53.7531 44.2749 -6.77645 GPRESSAVG: 4228400 -18.9204 22.7976 -51.6006 24.7193 71.8748 44.1896 -55.2371 47.0521 -5.81961 TIMING: 4228400 CPU: 13437.3, 0.00321992/step Wall: 13437.3, 0.00321992/step, 0.690136 hours remaining, 237.332031 MB of memory in use. ENERGY: 4228400 3943.6678 20426.0258 14457.8341 240.5790 -203587.7987 2821.7887 0.0000 0.0000 51851.0549 -109846.8485 297.9887 -161697.9035 -109486.8074 297.9220 -48.8282 -18.2819 760509.9490 15.8814 15.7116 PRESSURE: 4228600 205.029 -88.9558 -110.452 -88.956 373.182 32.8726 -110.452 32.8726 -131.187 GPRESSURE: 4228600 213.232 -117.214 -115.723 66.8801 352.15 -44.8595 -110.827 105.246 -44.7723 PRESSAVG: 4228600 -19.7869 -5.29369 -23.1867 -5.29372 -8.23284 -22.9984 -23.1867 -22.9984 13.6748 GPRESSAVG: 4228600 -17.8624 -3.53487 -23.2106 -5.71385 -9.21676 -21.8039 -24.1231 -27.0136 12.6359 TIMING: 4228600 CPU: 13437.9, 0.00315889/step Wall: 13437.9, 0.00315889/step, 0.67688 hours remaining, 237.535156 MB of memory in use. ENERGY: 4228600 3920.1274 20518.7423 14476.5888 260.1195 -203947.6067 2869.0854 0.0000 0.0000 52087.2702 -109815.6730 299.3463 -161902.9433 -109452.9650 298.5303 149.0078 173.5368 761560.3954 -4.7816 -4.8144 PRESSURE: 4228800 381.957 34.4866 -252.693 34.4869 132.739 -109.487 -252.694 -109.486 240.348 GPRESSURE: 4228800 471.983 -11.7085 -249.637 3.11957 117.537 -9.40444 -106.68 -95.7855 239.147 PRESSAVG: 4228800 14.1303 -37.6742 -55.5473 -37.6742 -0.635766 -28.7473 -55.5473 -28.7473 10.2266 GPRESSAVG: 4228800 14.2245 -37.7972 -55.4346 -39.4966 -0.209912 -29.9831 -54.1749 -26.9214 9.87507 TIMING: 4228800 CPU: 13438.5, 0.00315316/step Wall: 13438.5, 0.00315316/step, 0.675477 hours remaining, 237.535156 MB of memory in use. ENERGY: 4228800 3878.3678 20573.8021 14488.8457 258.9421 -203752.9849 2821.8865 0.0000 0.0000 51881.4600 -109849.6807 298.1635 -161731.1407 -109485.7121 298.5160 251.6811 276.2220 760734.6829 7.9070 7.9632 PRESSURE: 4229000 152.713 325.114 -272.96 325.113 74.1706 -15.748 -272.96 -15.7492 93.1359 GPRESSURE: 4229000 254.877 150.417 -242.836 208.297 44.1746 -44.0521 -139.547 -128.032 83.4796 PRESSAVG: 4229000 21.2973 8.23547 -27.9758 8.23543 -5.85615 -0.734753 -27.9758 -0.734767 -10.433 GPRESSAVG: 4229000 21.5177 7.3821 -27.0232 7.99324 -5.70588 -2.3837 -28.2994 1.37822 -10.8985 TIMING: 4229000 CPU: 13439.2, 0.00316162/step Wall: 13439.2, 0.00316162/step, 0.677113 hours remaining, 237.535156 MB of memory in use. ENERGY: 4229000 3945.6482 20414.2489 14496.9109 247.7344 -203778.6335 2869.6630 0.0000 0.0000 52247.7328 -109556.6953 300.2684 -161804.4281 -109192.9047 299.1300 106.6731 127.5104 760577.1948 1.6694 1.6378 PRESSURE: 4229200 245.219 109.495 35.1951 109.495 -32.0599 271.822 35.1956 271.822 -63.5277 GPRESSURE: 4229200 254.122 158.511 89.1609 185.34 21.4727 141.699 69.5924 197.775 -39.2977 PRESSAVG: 4229200 -13.4523 8.51146 -49.0723 8.51152 20.9208 64.7667 -49.0723 64.7666 -14.6454 GPRESSAVG: 4229200 -15.1354 8.35827 -51.3016 9.51092 21.5349 65.2908 -46.8171 61.2296 -13.9698 TIMING: 4229200 CPU: 13439.8, 0.00318788/step Wall: 13439.8, 0.00318788/step, 0.682561 hours remaining, 237.535156 MB of memory in use. ENERGY: 4229200 3908.7659 20606.8145 14520.2559 250.7933 -203659.8247 2748.6994 0.0000 0.0000 52044.9164 -109579.5792 299.1028 -161624.4956 -109221.9284 298.8205 49.8770 78.7656 761720.8965 -2.3923 -2.5234 PRESSURE: 4229400 -161.511 75.6194 73.2357 75.6207 -176.954 -198.207 73.2354 -198.207 121.491 GPRESSURE: 4229400 -126.557 106.444 5.6963 13.8864 -140.212 -154.195 33.7734 -106.724 138.142 PRESSAVG: 4229400 -33.9097 9.01283 -55.0365 9.01284 -28.344 -23.2577 -55.0364 -23.2578 -7.71924 GPRESSAVG: 4229400 -34.3355 11.0519 -55.5222 6.89565 -28.7908 -24.2179 -56.0218 -21.162 -7.72136 TIMING: 4229400 CPU: 13440.5, 0.00320084/step Wall: 13440.5, 0.00320084/step, 0.685157 hours remaining, 237.535156 MB of memory in use. ENERGY: 4229400 3933.3884 20584.7975 14537.2033 226.6918 -203714.4005 2815.5084 0.0000 0.0000 51911.6644 -109705.1467 298.3370 -161616.8111 -109338.7461 298.9343 -72.3249 -42.8756 763019.4788 -23.3243 -23.6159 PRESSURE: 4229600 52.9129 185.607 -269.343 185.608 89.3163 -84.8438 -269.343 -84.8427 -145.51 GPRESSURE: 4229600 64.6678 171.381 -240.85 199.703 120.091 32.3771 -214.456 -32.7272 -89.097 PRESSAVG: 4229600 37.6791 -1.91848 32.3045 -1.9185 10.9628 8.93726 32.3046 8.93719 20.3502 GPRESSAVG: 4229600 38.0806 -3.99977 35.393 0.412912 10.9294 11.787 30.3898 8.89667 20.031 TIMING: 4229600 CPU: 13441.1, 0.0031665/step Wall: 13441.1, 0.0031665/step, 0.67763 hours remaining, 237.535156 MB of memory in use. ENERGY: 4229600 3930.6776 20471.5028 14515.0059 246.0996 -203371.0045 2666.3075 0.0000 0.0000 51953.2223 -109588.1888 298.5759 -161541.4111 -109235.6420 298.8307 -1.0935 31.8872 763110.5505 22.9974 23.0137 PRESSURE: 4229800 -103.996 -23.9455 91.4489 -23.9461 -161.084 170.241 91.4478 170.241 410.952 GPRESSURE: 4229800 -55.8753 45.2821 139.969 -110.644 -92.9991 109.265 76.9693 39.8886 352.014 PRESSAVG: 4229800 -33.9296 -13.1912 -11.9771 -13.1912 18.3163 31.1927 -11.9771 31.1927 -7.66538 GPRESSAVG: 4229800 -34.138 -12.5623 -13.9428 -14.6989 18.4101 28.3995 -12.9013 31.0968 -7.84577 TIMING: 4229800 CPU: 13441.7, 0.00315992/step Wall: 13441.7, 0.00315992/step, 0.676047 hours remaining, 237.535156 MB of memory in use. ENERGY: 4229800 4052.7238 20509.1670 14549.2205 249.1680 -203393.3274 2753.2233 0.0000 0.0000 51978.2187 -109301.6062 298.7195 -161279.8249 -108948.3795 298.9933 48.6241 67.7132 761862.7770 -7.7596 -7.8579 PRESSURE: 4230000 -62.8928 -247.558 93.5192 -247.558 46.6098 147.983 93.5193 147.983 -179.943 GPRESSURE: 4230000 -12.8666 -202.336 67.3898 -150.107 56.2833 227.566 -9.56302 70.852 -156.157 PRESSAVG: 4230000 -24.7881 -58.2314 12.7796 -58.2314 19.8178 21.9678 12.7797 21.9679 0.291085 GPRESSAVG: 4230000 -26.1262 -57.6219 13.9337 -55.6691 19.5934 23.2407 13.7543 21.4321 1.76865 TIMING: 4230000 CPU: 13442.3, 0.00313625/step Wall: 13442.3, 0.00313625/step, 0.670809 hours remaining, 237.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4230000 4022.0069 20577.2661 14430.3066 244.4700 -203644.8376 2767.6363 0.0000 0.0000 52168.2280 -109434.9237 299.8115 -161603.1517 -109073.0304 299.1330 -65.4087 -37.5800 761389.3226 -1.5597 -1.5881 PRESSURE: 4230200 -267.846 -197.69 -41.6689 -197.691 -471.389 -0.39715 -41.6689 -0.39756 -418.883 GPRESSURE: 4230200 -228.769 -61.6665 -127.338 10.9478 -375.884 98.509 -97.1229 68.4695 -457.388 PRESSAVG: 4230200 38.8403 -50.3511 34.0492 -50.3511 -50.0012 39.0432 34.0491 39.0433 15.007 GPRESSAVG: 4230200 40.1653 -52.4892 33.7459 -50.2451 -49.2168 39.2789 33.4661 39.6082 13.3778 TIMING: 4230200 CPU: 13443, 0.00317133/step Wall: 13443, 0.00317133/step, 0.678137 hours remaining, 237.535156 MB of memory in use. ENERGY: 4230200 3994.4244 20555.9215 14456.3442 263.4847 -203268.6919 2474.8391 0.0000 0.0000 52055.6699 -109468.0080 299.1647 -161523.6779 -109088.5640 298.9852 -386.0395 -354.0138 763439.3509 1.2820 1.4421 PRESSURE: 4230400 -79.9951 -20.3601 -75.9187 -20.3593 118.984 307.752 -75.9184 307.752 -226.85 GPRESSURE: 4230400 -79.8022 17.4907 -63.6245 -10.5065 101.136 356.009 13.5337 332.577 -106.836 PRESSAVG: 4230400 -2.71676 -61.8058 36.851 -61.8057 12.2293 -12.9414 36.8509 -12.9414 15.1344 GPRESSAVG: 4230400 -2.55795 -57.8661 37.1459 -64.2443 11.3449 -11.9715 37.0822 -11.8855 15.842 TIMING: 4230400 CPU: 13443.6, 0.00316822/step Wall: 13443.6, 0.00316822/step, 0.677295 hours remaining, 237.535156 MB of memory in use. ENERGY: 4230400 4039.6337 20651.1339 14476.5525 263.7922 -203816.8161 2756.4143 0.0000 0.0000 52167.9312 -109461.3582 299.8098 -161629.2894 -109110.4639 299.5883 -62.6205 -28.5009 761316.8527 8.2156 8.2097 PRESSURE: 4230600 -135.191 -192.643 125.429 -192.642 -176.36 -207.931 125.429 -207.932 -322.799 GPRESSURE: 4230600 -128.526 -192.163 111.445 -173.699 -165.783 -114.335 116.632 -166.347 -273.259 PRESSAVG: 4230600 12.3199 -33.7432 -6.0302 -33.7432 -8.96966 -20.1708 -6.03014 -20.1709 -27.5301 GPRESSAVG: 4230600 11.4581 -34.9499 -6.63993 -31.0804 -9.20699 -21.3054 -6.17213 -22.7529 -26.6981 TIMING: 4230600 CPU: 13444.2, 0.00315417/step Wall: 13444.2, 0.00315417/step, 0.674117 hours remaining, 237.535156 MB of memory in use. ENERGY: 4230600 4079.5900 20645.6008 14458.2134 236.2171 -203671.3866 2719.3598 0.0000 0.0000 52054.7746 -109477.6310 299.1595 -161532.4056 -109109.2522 299.5795 -211.4500 -189.1893 763551.4027 -8.0600 -8.1490 PRESSURE: 4230800 -16.8083 54.9285 257.046 54.9281 -306.002 -197.679 257.046 -197.679 174.627 GPRESSURE: 4230800 1.23945 -11.9858 259.329 45.4635 -234.958 -320.854 189.89 -243.55 168.678 PRESSAVG: 4230800 -20.4679 -9.16186 -19.9308 -9.1619 19.6041 -66.0048 -19.9308 -66.0049 9.60469 GPRESSAVG: 4230800 -20.0265 -10.7287 -20.0899 -9.86414 20.0662 -66.3764 -18.9869 -62.3886 8.44791 TIMING: 4230800 CPU: 13444.9, 0.00316475/step Wall: 13444.9, 0.00316475/step, 0.676202 hours remaining, 237.535156 MB of memory in use. ENERGY: 4230800 4041.8575 20509.4694 14520.2565 261.1309 -203452.9270 2780.2428 0.0000 0.0000 52065.3554 -109274.6144 299.2203 -161339.9698 -108915.9791 299.9799 -49.3943 -21.6802 761795.5407 2.9136 2.8292 PRESSURE: 4231000 119.056 -37.1876 48.3693 -37.1873 104.999 112.759 48.3694 112.759 -68.4815 GPRESSURE: 4231000 112.582 35.1268 -19.7683 18.2242 128.86 134.334 -81.3313 121.522 -7.56549 PRESSAVG: 4231000 -71.1363 9.17911 -71.2292 9.17915 34.9138 21.9748 -71.2292 21.9748 -8.38984 GPRESSAVG: 4231000 -72.5226 8.3498 -72.254 10.564 36.131 22.6958 -70.7225 18.8248 -8.14158 TIMING: 4231000 CPU: 13445.5, 0.00318335/step Wall: 13445.5, 0.00318335/step, 0.679998 hours remaining, 237.535156 MB of memory in use. ENERGY: 4231000 4042.5255 20690.9147 14548.9900 247.0646 -203551.3802 2813.9862 0.0000 0.0000 52249.1008 -108958.7983 300.2763 -161207.8991 -108594.6238 300.0141 51.8580 77.9589 762261.3140 -14.8708 -14.8444 PRESSURE: 4231200 -369.666 -58.6097 195.652 -58.609 -121.556 97.5764 195.652 97.5773 -12.0547 GPRESSURE: 4231200 -356.246 -3.94273 225.512 46.1967 -74.2964 3.35011 73.5094 104.475 18.2435 PRESSAVG: 4231200 -20.0304 -43.4704 8.00316 -43.4704 34.6575 -15.0333 8.00317 -15.0333 4.23121 GPRESSAVG: 4231200 -19.1174 -41.7546 11.1668 -45.3997 33.5521 -15.7198 6.08773 -15.263 3.96992 TIMING: 4231200 CPU: 13446.1, 0.00317029/step Wall: 13446.1, 0.00317029/step, 0.677033 hours remaining, 237.535156 MB of memory in use. ENERGY: 4231200 4013.2922 20651.5628 14469.2764 230.0637 -203219.1080 2317.7324 0.0000 0.0000 52201.6236 -109335.5570 300.0034 -161537.1806 -108971.3085 299.7329 -167.7587 -137.4331 760332.6458 6.2861 6.1349 PRESSURE: 4231400 67.0025 165.266 -13.7961 165.266 123.49 -78.2661 -13.7968 -78.2646 31.401 GPRESSURE: 4231400 102.505 161.214 -21.8694 29.8229 204.629 -116.924 -69.6399 26.2231 -16.0345 PRESSAVG: 4231400 -14.6768 -7.49942 23.7051 -7.49947 61.9776 39.6321 23.705 39.6321 -4.97385 GPRESSAVG: 4231400 -13.0811 -6.96079 21.408 -7.62114 60.8595 40.7702 24.0128 40.5598 -5.21263 TIMING: 4231400 CPU: 13446.8, 0.00318785/step Wall: 13446.8, 0.00318785/step, 0.680606 hours remaining, 237.535156 MB of memory in use. ENERGY: 4231400 3961.9060 20646.3773 14472.4139 236.0696 -203351.4682 2553.4842 0.0000 0.0000 51808.7019 -109672.5153 297.7453 -161481.2172 -109306.3504 298.6991 73.9647 97.0333 762269.1401 14.1090 14.1886 PRESSURE: 4231600 -58.094 -231.509 74.3298 -231.51 -57.4401 -190.9 74.3302 -190.9 88.5655 GPRESSURE: 4231600 -15.9201 -188.348 98.7064 -292.466 -80.7431 -63.0643 100.62 -96.5331 174.508 PRESSAVG: 4231600 29.8632 35.0449 23.3596 35.0449 -32.5403 47.9411 23.3596 47.9411 -7.45642 GPRESSAVG: 4231600 27.3197 34.7842 22.9837 35.2101 -31.5931 46.5917 24.1343 47.6803 -5.65785 TIMING: 4231600 CPU: 13447.4, 0.00317544/step Wall: 13447.4, 0.00317544/step, 0.67778 hours remaining, 237.535156 MB of memory in use. ENERGY: 4231600 4038.7340 20399.7445 14496.6779 244.2001 -203236.2156 2585.5654 0.0000 0.0000 52020.4200 -109450.8736 298.9621 -161471.2936 -109076.0288 299.3457 -8.9895 25.9482 761902.9439 -3.3779 -3.3104 PRESSURE: 4231800 259.382 -42.4637 -68.8215 -42.4641 274.441 18.9726 -68.8214 18.9734 121.903 GPRESSURE: 4231800 259.162 -81.9597 -85.1859 -49.0212 294.938 27.524 18.5798 33.8385 193.675 PRESSAVG: 4231800 -9.30488 -11.2812 49.2919 -11.2812 21.4204 -55.0275 49.2918 -55.0275 -17.3812 GPRESSAVG: 4231800 -8.03591 -12.7617 49.848 -11.0088 21.6488 -53.2764 49.2375 -56.0848 -18.8756 TIMING: 4231800 CPU: 13448, 0.00315896/step Wall: 13448, 0.00315896/step, 0.674086 hours remaining, 237.535156 MB of memory in use. ENERGY: 4231800 3975.2824 20553.9676 14442.5998 226.6513 -203037.2057 2580.0004 0.0000 0.0000 52045.7411 -109212.9632 299.1076 -161258.7043 -108853.2893 299.2508 218.5753 249.2583 762631.3505 -1.7552 -1.7543 PRESSURE: 4232000 -19.9085 -175.508 30.167 -175.508 -72.602 -43.8935 30.1671 -43.8958 -146.342 GPRESSURE: 4232000 27.9722 -84.9493 38.6219 -108.849 12.5951 -135.374 -32.6032 -10.9365 -193.375 PRESSAVG: 4232000 12.7915 6.68619 37.468 6.68612 0.901082 30.3638 37.4681 30.3638 0.517304 GPRESSAVG: 4232000 13.3051 8.27233 36.5857 4.93965 0.573316 30.1465 37.3589 32.1308 0.219078 TIMING: 4232000 CPU: 13448.7, 0.00314586/step Wall: 13448.7, 0.00314586/step, 0.671118 hours remaining, 237.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4232000 4019.3221 20466.9908 14509.7433 251.7876 -203056.6956 2400.2707 0.0000 0.0000 52122.0048 -109286.5763 299.5459 -161408.5811 -108917.6002 299.5549 -79.6176 -50.9360 763273.7433 4.7366 4.6992 PRESSURE: 4232200 -247.183 149.366 -123.714 149.367 225.211 6.55453 -123.714 6.5541 -1.09263 GPRESSURE: 4232200 -137.761 174.283 -95.31 206.892 167.093 107.318 -191.4 64.4863 41.1775 PRESSAVG: 4232200 -56.3513 -20.6227 32.8291 -20.6228 5.16183 67.0471 32.8292 67.0472 -1.95659 GPRESSAVG: 4232200 -55.7761 -21.4715 32.5524 -17.8398 4.32921 65.2614 33.4487 65.713 -1.39066 TIMING: 4232200 CPU: 13449.3, 0.00320722/step Wall: 13449.3, 0.00320722/step, 0.684028 hours remaining, 237.535156 MB of memory in use. ENERGY: 4232200 4006.7765 20468.9935 14425.9115 240.0257 -203459.2162 2786.3453 0.0000 0.0000 52269.1491 -109262.0147 300.3915 -161531.1637 -108900.0135 299.1656 -7.6883 23.5032 761879.3388 -17.7154 -17.6125 LDB: ============= START OF LOAD BALANCING ============== 13461.7 LDB: ============== END OF LOAD BALANCING =============== 13461.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13461.7 LDB: ============= START OF LOAD BALANCING ============== 13462 LDB: Largest compute 7067 load 0.034800 is 17.7% of average load 0.196061 LDB: Average compute 0.004371 is 2.2% of average load 0.196061 LDB: TIME 13462 LOAD: AVG 0.196061 MAX 0.221806 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 13462 LOAD: AVG 0.196061 MAX 0.221806 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: TIME 13462 LOAD: AVG 0.196061 MAX 0.221806 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: ============== END OF LOAD BALANCING =============== 13462 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13462.1 PRESSURE: 4232400 -237.18 28.9525 158.789 28.9525 -306.252 -52.6169 158.789 -52.6171 171.719 GPRESSURE: 4232400 -180.515 -59.643 187.08 -10.3104 -245.648 -79.3866 184.607 10.3768 125.587 PRESSAVG: 4232400 40.5871 -12.8593 -54.8936 -12.8593 -38.9359 5.225 -54.8936 5.22494 -0.934054 GPRESSAVG: 4232400 38.7463 -12.916 -53.0955 -15.8972 -37.3805 6.59977 -55.6129 5.29621 -1.04737 TIMING: 4232400 CPU: 13450, 0.00325248/step Wall: 13450, 0.00325248/step, 0.693502 hours remaining, 239.386719 MB of memory in use. ENERGY: 4232400 4008.1186 20554.6477 14486.7750 239.5756 -203666.0237 2808.3525 0.0000 0.0000 52227.3572 -109341.1972 300.1513 -161568.5544 -108976.3914 299.3231 -123.9044 -100.1920 761771.2135 0.2390 0.1061 PRESSURE: 4232600 -106.422 114.687 -65.1194 114.688 344.225 -47.0521 -65.1197 -47.0523 47.8723 GPRESSURE: 4232600 -20.3862 21.9807 -43.9829 282.902 299.47 -50.5132 -11.54 -88.7106 72.1167 PRESSAVG: 4232600 20.5888 -16.7393 -22.9795 -16.7393 18.1695 -13.9798 -22.9795 -13.9798 25.7646 GPRESSAVG: 4232600 20.4047 -17.5881 -24.8742 -14.0426 17.6583 -13.8872 -21.9251 -13.3222 26.3388 TIMING: 4232600 CPU: 13450.6, 0.0032241/step Wall: 13450.6, 0.0032241/step, 0.68727 hours remaining, 239.531250 MB of memory in use. ENERGY: 4232600 4022.7795 20483.9400 14496.1150 254.3558 -203650.9007 2820.5085 0.0000 0.0000 52156.7401 -109416.4618 299.7455 -161573.2019 -109058.2720 299.1609 95.2250 117.0667 762282.7881 21.5076 21.4673 PRESSURE: 4232800 -147.694 -177.515 -36.45 -177.515 -223.835 -47.2876 -36.4507 -47.2867 49.6692 GPRESSURE: 4232800 -57.3564 -56.3831 93.5697 -168.166 -206.409 -72.8876 72.3191 -100.824 10.8642 PRESSAVG: 4232800 13.3182 -27.8027 7.00735 -27.8027 48.4945 38.2604 7.00732 38.2603 -9.47 GPRESSAVG: 4232800 13.518 -27.7045 8.09154 -28.7382 48.8497 37.5122 7.16856 37.4204 -10.1489 TIMING: 4232800 CPU: 13451.3, 0.00318533/step Wall: 13451.3, 0.00318533/step, 0.678829 hours remaining, 239.531250 MB of memory in use. ENERGY: 4232800 3997.4994 20607.1596 14480.0135 246.2172 -203291.0953 2628.0611 0.0000 0.0000 52019.0300 -109313.1145 298.9541 -161332.1445 -108949.5221 299.6306 -107.2868 -84.3004 763830.4560 17.4475 17.4062 PRESSURE: 4233000 -48.8925 -79.5208 -79.1865 -79.5209 432.394 136.173 -79.1861 136.173 -473.701 GPRESSURE: 4233000 61.3916 -12.8947 -107.797 -97.4236 386.362 223.314 -202.212 -18.4346 -457.15 PRESSAVG: 4233000 -18.636 14.7759 -2.85978 14.7758 -5.60032 -1.08978 -2.85984 -1.08983 1.50796 GPRESSAVG: 4233000 -16.4539 15.525 -3.0773 15.811 -7.74089 -0.0518285 -2.2015 -2.63011 1.02337 TIMING: 4233000 CPU: 13451.9, 0.00318909/step Wall: 13451.9, 0.00318909/step, 0.679453 hours remaining, 239.531250 MB of memory in use. ENERGY: 4233000 4040.1664 20567.4261 14504.7158 250.1923 -203878.5530 2904.2651 0.0000 0.0000 51940.3554 -109671.4318 298.5019 -161611.7872 -109314.9762 299.4593 -30.0666 -3.1323 761068.2068 -7.5761 -7.7238 PRESSURE: 4233200 34.192 24.3185 340.647 24.3188 343.796 -53.5391 340.646 -53.5387 240.655 GPRESSURE: 4233200 39.7969 178.13 304.016 52.5423 382.169 -79.6399 340.659 -75.6711 294.837 PRESSAVG: 4233200 3.80719 -43.4424 -1.62944 -43.4424 -3.48741 27.507 -1.62941 27.507 0.840016 GPRESSAVG: 4233200 1.67097 -44.1095 -1.35236 -44.026 -1.5348 27.6308 -2.26026 29.29 0.907692 TIMING: 4233200 CPU: 13452.5, 0.00317399/step Wall: 13452.5, 0.00317399/step, 0.676061 hours remaining, 239.531250 MB of memory in use. ENERGY: 4233200 3966.6866 20318.0807 14492.3754 241.4919 -203978.1078 3032.2220 0.0000 0.0000 52100.0663 -109827.1848 299.4198 -161927.2511 -109460.2988 298.6412 206.2145 238.9342 761800.6757 0.3866 0.3480 PRESSURE: 4233400 31.8216 147.177 101.463 147.176 -229.371 83.2041 101.464 83.2046 117.808 GPRESSURE: 4233400 150.669 102.349 208.395 191.967 -231.916 11.165 133.211 -63.3476 94.9188 PRESSAVG: 4233400 -22.5927 -26.5377 11.551 -26.5377 -12.2987 19.5247 11.551 19.5247 9.69811 GPRESSAVG: 4233400 -21.3314 -26.1707 11.9099 -26.9221 -13.3539 16.7673 9.06722 20.1685 9.53716 TIMING: 4233400 CPU: 13453.2, 0.00315546/step Wall: 13453.2, 0.00315546/step, 0.671937 hours remaining, 239.531250 MB of memory in use. ENERGY: 4233400 3965.5269 20617.7153 14417.7276 257.2156 -203575.3074 2873.7594 0.0000 0.0000 51588.9830 -109854.3796 296.4826 -161443.3626 -109506.1189 298.4777 -26.5803 4.5571 762918.0367 -8.3978 -8.3827 PRESSURE: 4233600 -1.39833 51.8764 -281.831 51.8764 8.57894 181.617 -281.831 181.618 -85.5827 GPRESSURE: 4233600 53.4285 150.162 -175.195 -53.8391 -2.71441 154.491 -268.767 193.945 -40.6914 PRESSAVG: 4233600 -21.5875 -1.84598 -40.7493 -1.84594 -21.4248 -6.03458 -40.7493 -6.03457 8.64016 GPRESSAVG: 4233600 -22.284 -1.81321 -40.486 -1.11898 -20.816 -4.82721 -39.2166 -6.77578 9.11963 TIMING: 4233600 CPU: 13453.8, 0.00316509/step Wall: 13453.8, 0.00316509/step, 0.673813 hours remaining, 239.531250 MB of memory in use. ENERGY: 4233600 3960.2717 20484.6479 14473.6876 253.6927 -203622.8918 2819.4852 0.0000 0.0000 51718.2123 -109912.8943 297.2253 -161631.1066 -109559.4783 298.1808 -26.1340 3.3409 763556.7281 -11.4574 -11.3268 PRESSURE: 4233800 217.339 37.4399 -22.4614 37.4401 -193.166 25.9863 -22.4617 25.9856 27.3117 GPRESSURE: 4233800 270.68 84.9793 -81.1392 -30.7906 -135.772 -31.8039 101.387 -45.881 -5.15316 PRESSAVG: 4233800 -1.73257 4.20781 -1.00287 4.20781 1.56393 -2.65525 -1.00278 -2.65526 5.36417 GPRESSAVG: 4233800 -1.59428 3.36008 -2.8674 4.90618 1.74049 -2.2877 0.400487 -1.23135 5.29797 TIMING: 4233800 CPU: 13454.4, 0.00317234/step Wall: 13454.4, 0.00317234/step, 0.675179 hours remaining, 239.531250 MB of memory in use. ENERGY: 4233800 4024.0006 20551.0902 14512.2442 257.8914 -203467.7442 2472.1131 0.0000 0.0000 51873.0148 -109777.3901 298.1149 -161650.4048 -109416.1296 298.2094 17.1614 43.2516 762624.6858 1.7318 1.8147 PRESSURE: 4234000 112.709 -67.646 11.0829 -67.6462 -87.8859 115.725 11.0821 115.725 -109.962 GPRESSURE: 4234000 106.356 -23.9229 27.2954 70.0419 -54.1376 111.504 0.81261 94.1424 -72.1598 PRESSAVG: 4234000 40.558 -3.95904 28.8455 -3.95902 -16.4655 -2.13478 28.8454 -2.1348 12.2237 GPRESSAVG: 4234000 39.7836 -4.16415 29.6089 -5.65713 -15.4066 -1.73269 29.213 -2.87826 11.6808 TIMING: 4234000 CPU: 13455.1, 0.00315077/step Wall: 13455.1, 0.00315077/step, 0.670413 hours remaining, 239.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4234000 3951.4252 20461.2900 14483.3742 239.4584 -203796.5525 2843.0693 0.0000 0.0000 52047.3308 -109770.6046 299.1167 -161817.9354 -109407.8360 298.7102 -28.3796 -6.6470 761196.6330 12.1054 12.0193 PRESSURE: 4234200 -48.669 -73.9835 226.02 -73.983 151.292 -4.52298 226.021 -4.52209 -569.409 GPRESSURE: 4234200 4.28242 4.80364 225.243 -210.853 100.233 -16.6518 194.381 56.9279 -491.708 PRESSAVG: 4234200 17.6997 8.75176 -6.34699 8.75168 -9.8425 -37.511 -6.34694 -37.511 7.1063 GPRESSAVG: 4234200 17.4641 9.48127 -8.00175 8.35052 -10.3948 -36.4425 -7.73298 -38.0752 8.01506 TIMING: 4234200 CPU: 13455.7, 0.00315588/step Wall: 13455.7, 0.00315588/step, 0.671325 hours remaining, 239.531250 MB of memory in use. ENERGY: 4234200 3946.9523 20724.2172 14467.1421 274.8997 -203737.8138 2769.5229 0.0000 0.0000 51816.4535 -109738.6261 297.7899 -161555.0796 -109393.7623 298.6711 -155.5952 -129.0640 761576.0132 4.9878 5.0281 PRESSURE: 4234400 -317.323 221.127 -27.9974 221.126 -577.323 168.809 -27.9974 168.809 -422.71 GPRESSURE: 4234400 -276.702 68.8985 10.5662 118.086 -523.334 182.878 -95.3913 102.308 -431.577 PRESSAVG: 4234400 20.3135 31.5378 -38.6852 31.5378 -17.5604 53.284 -38.6851 53.2841 5.08164 GPRESSAVG: 4234400 21.7287 31.5269 -35.8986 31.5909 -18.0301 52.0501 -37.6619 53.8828 3.59614 TIMING: 4234400 CPU: 13456.3, 0.00314053/step Wall: 13456.3, 0.00314053/step, 0.667886 hours remaining, 239.531250 MB of memory in use. ENERGY: 4234400 4023.4811 20432.9055 14415.8913 256.3395 -203250.3485 2364.6177 0.0000 0.0000 52160.9279 -109596.1856 299.7696 -161757.1135 -109237.7439 298.8914 -439.1185 -410.5377 763722.6355 2.6116 2.4316 PRESSURE: 4234600 85.4132 97.3649 -73.316 97.3647 -80.3775 197.723 -73.3169 197.723 -155.97 GPRESSURE: 4234600 111.725 1.41183 -65.505 92.4224 -4.63579 144.133 168.475 92.6483 -148.14 PRESSAVG: 4234600 59.5708 34.139 -47.2989 34.139 -42.7164 26.4681 -47.2989 26.4681 3.6115 GPRESSAVG: 4234600 58.2908 34.6921 -48.5276 35.7963 -42.2121 29.7698 -46.3921 24.3809 4.62868 TIMING: 4234600 CPU: 13456.9, 0.003153/step Wall: 13456.9, 0.003153/step, 0.670362 hours remaining, 239.531250 MB of memory in use. ENERGY: 4234600 4021.3131 20515.2683 14426.4927 237.9876 -203846.1796 2882.3354 0.0000 0.0000 52020.4489 -109742.3336 298.9622 -161762.7825 -109383.6182 299.0748 -50.3113 -13.6835 761679.9370 6.8220 6.9024 PRESSURE: 4234800 54.4867 -103.956 133.327 -103.956 350.275 -65.2214 133.328 -65.2218 -46.377 GPRESSURE: 4234800 154.69 -89.6043 97.4987 -84.6351 343.816 -52.9673 56.6806 -55.3652 -55.3037 PRESSAVG: 4234800 44.7499 -41.2848 41.7089 -41.2847 -46.9754 -14.467 41.709 -14.467 -21.1359 GPRESSAVG: 4234800 46.7629 -42.0175 42.0621 -42.3021 -47.7875 -15.9937 39.9851 -12.542 -22.0554 TIMING: 4234800 CPU: 13457.6, 0.00314519/step Wall: 13457.6, 0.00314519/step, 0.668527 hours remaining, 239.531250 MB of memory in use. ENERGY: 4234800 3895.9348 20481.7217 14393.3999 233.4662 -203927.3617 3110.6162 0.0000 0.0000 52151.7826 -109660.4404 299.7170 -161812.2230 -109290.6196 298.9212 119.4615 147.7340 761543.1019 -7.7871 -7.6933 PRESSURE: 4235000 -171.746 -69.3446 55.4824 -69.345 386.572 103.24 55.4827 103.238 46.0518 GPRESSURE: 4235000 -121.435 -44.6586 -3.83742 1.8921 329.412 151.783 -0.511324 186.985 122.99 PRESSAVG: 4235000 -3.37431 -50.4846 30.164 -50.4845 25.2413 -22.4177 30.164 -22.4177 -2.94187 GPRESSAVG: 4235000 -4.35554 -49.4239 28.6029 -48.3597 25.2979 -22.7731 31.0408 -22.3632 -1.96691 TIMING: 4235000 CPU: 13458.2, 0.00315973/step Wall: 13458.2, 0.00315973/step, 0.671443 hours remaining, 239.531250 MB of memory in use. ENERGY: 4235000 3953.3415 20598.7471 14452.4329 232.3057 -203433.6291 2827.6679 0.0000 0.0000 51864.6109 -109504.5232 298.0666 -161369.1341 -109160.8644 299.4627 86.9592 110.3222 761022.4221 6.3084 6.3251 PRESSURE: 4235200 -153.407 -245.933 170.815 -245.933 -155.355 -144.698 170.815 -144.696 228.704 GPRESSURE: 4235200 -69.478 -253.36 152.172 -157.531 -104.724 -198.019 247.772 -66.3375 209.195 PRESSAVG: 4235200 -40.7112 21.5609 38.3447 21.5609 55.6857 -27.2166 38.3447 -27.2166 11.2763 GPRESSAVG: 4235200 -41.7138 19.4448 39.2306 19.6478 56.3103 -28.0689 38.4239 -26.7085 11.5328 TIMING: 4235200 CPU: 13458.8, 0.00318042/step Wall: 13458.8, 0.00318042/step, 0.675663 hours remaining, 239.531250 MB of memory in use. ENERGY: 4235200 3988.8724 20508.2560 14421.9449 235.4233 -203023.1598 2628.2871 0.0000 0.0000 51910.6451 -109329.7310 298.3312 -161240.3761 -108978.4414 299.2903 -26.6860 11.6641 762391.0847 8.7503 8.7098 PRESSURE: 4235400 -111.266 -74.4669 17.5694 -74.4674 -119.42 -55.4703 17.5687 -55.47 -198.377 GPRESSURE: 4235400 -36.1574 -45.4051 -18.4765 -40.0315 -119.761 -18.5059 -78.195 -104.772 -183.006 PRESSAVG: 4235400 -14.3011 -53.5127 39.7608 -53.5127 41.0475 -4.71413 39.7609 -4.7142 -9.54098 GPRESSAVG: 4235400 -14.1364 -54.1479 40.5287 -53.1893 41.9892 -2.33649 38.4864 -6.23374 -10.275 TIMING: 4235400 CPU: 13459.5, 0.00318996/step Wall: 13459.5, 0.00318996/step, 0.677512 hours remaining, 239.531250 MB of memory in use. ENERGY: 4235400 3973.2811 20489.0673 14596.6607 258.0405 -203386.0951 2460.2528 0.0000 0.0000 52174.4855 -109434.3072 299.8475 -161608.7927 -109073.9688 299.5720 -143.0211 -112.9748 762099.7358 5.7351 5.8592 PRESSURE: 4235600 114.356 -75.0089 -50.1425 -75.0085 -40.5162 -119.125 -50.1422 -119.124 190.771 GPRESSURE: 4235600 200.219 -112.89 -21.5712 -153.89 -15.3321 -59.2395 -37.7627 -31.2328 179.194 PRESSAVG: 4235600 30.9008 -42.0914 13.359 -42.0913 -43.9087 -60.9132 13.3589 -60.9133 4.27873 GPRESSAVG: 4235600 32.3786 -40.3459 13.0223 -44.3088 -46.4053 -62.3916 13.3695 -60.3581 5.30883 TIMING: 4235600 CPU: 13460.1, 0.00319383/step Wall: 13460.1, 0.00319383/step, 0.678156 hours remaining, 239.531250 MB of memory in use. ENERGY: 4235600 3934.6360 20483.4318 14508.5831 236.2759 -203762.0340 2838.0831 0.0000 0.0000 52234.3551 -109526.6689 300.1916 -161761.0240 -109157.7266 299.0667 88.2034 121.3602 761124.0728 -2.9097 -2.9060 PRESSURE: 4235800 -3.41085 -452.438 16.423 -452.439 205.038 -65.698 16.4228 -65.6975 -203.424 GPRESSURE: 4235800 63.5712 -431.494 -3.18889 -410.532 247.837 -11.8738 74.9236 -41.0625 -241.678 PRESSAVG: 4235800 8.02077 -118.519 26.3189 -118.519 -11.8872 -52.5837 26.3188 -52.5836 4.88196 GPRESSAVG: 4235800 7.58112 -118.009 26.3233 -114.719 -10.3676 -52.5363 28.021 -53.1002 3.91715 TIMING: 4235800 CPU: 13460.8, 0.00317706/step Wall: 13460.8, 0.00317706/step, 0.674419 hours remaining, 239.531250 MB of memory in use. ENERGY: 4235800 3979.9701 20590.2835 14440.3397 232.7567 -203652.7851 2709.9066 0.0000 0.0000 52177.3290 -109522.1996 299.8638 -161699.5286 -109167.9308 299.2265 -0.5989 23.2431 761183.9482 0.3385 0.3769 PRESSURE: 4236000 25.3907 -21.9372 21.8981 -21.9373 -120.376 -161.884 21.8975 -161.885 -39.7883 GPRESSURE: 4236000 55.8313 -57.9392 -67.662 26.1372 -49.3061 -194.516 50.6719 -126.984 -55.7238 PRESSAVG: 4236000 35.9552 -62.7559 -14.3905 -62.756 -7.01672 -3.49768 -14.3905 -3.49773 -19.875 GPRESSAVG: 4236000 35.5605 -63.7617 -14.1023 -64.5981 -6.521 -4.83638 -14.8908 -3.58164 -19.5438 TIMING: 4236000 CPU: 13461.4, 0.00315781/step Wall: 13461.4, 0.00315781/step, 0.670158 hours remaining, 239.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4236000 4051.4727 20542.9016 14503.0741 270.8484 -203502.4922 2507.9963 0.0000 0.0000 51980.7651 -109645.4340 298.7342 -161626.1991 -109285.0214 299.2936 -44.9244 -16.3995 761485.6355 3.0212 3.1652 PRESSURE: 4236200 44.7408 -118.994 -56.2462 -118.994 111.781 304.987 -56.2464 304.987 -100.796 GPRESSURE: 4236200 148.699 -166.366 -33.4199 -124.418 118.74 222.615 -48.4678 280.689 -98.1402 PRESSAVG: 4236200 16.6187 -101.043 -12.7679 -101.043 -7.14169 -33.5909 -12.7679 -33.591 7.89166 GPRESSAVG: 4236200 15.7949 -99.7954 -13.3543 -101.691 -7.28315 -33.7306 -12.8191 -33.2973 8.60756 TIMING: 4236200 CPU: 13462, 0.00314029/step Wall: 13462, 0.00314029/step, 0.666264 hours remaining, 239.531250 MB of memory in use. ENERGY: 4236200 3984.6148 20396.6254 14513.7736 227.1928 -203505.9566 2640.8147 0.0000 0.0000 52192.3097 -109550.6256 299.9499 -161742.9353 -109191.8536 299.1399 18.5752 56.4329 761289.7452 5.7896 5.7064 LDB: ============= START OF LOAD BALANCING ============== 13474.4 LDB: ============== END OF LOAD BALANCING =============== 13474.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13474.4 LDB: ============= START OF LOAD BALANCING ============== 13474.7 LDB: Largest compute 7075 load 0.036368 is 18.5% of average load 0.196137 LDB: Average compute 0.004377 is 2.2% of average load 0.196137 LDB: TIME 13474.7 LOAD: AVG 0.196137 MAX 0.216095 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 13474.7 LOAD: AVG 0.196137 MAX 0.216095 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 13474.7 LOAD: AVG 0.196137 MAX 0.216095 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13474.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13474.7 PRESSURE: 4236400 -32.7319 43.1866 -16.9641 43.1872 -115.298 -107.882 -16.9644 -107.881 -195.215 GPRESSURE: 4236400 99.4497 95.3478 -3.37292 34.3523 -118.053 -53.0569 98.75 -238.601 -209.53 PRESSAVG: 4236400 93.4257 -16.3313 -13.0855 -16.3313 -62.9133 6.3299 -13.0855 6.32984 20.2626 GPRESSAVG: 4236400 94.8191 -16.0159 -13.1574 -14.0915 -63.9984 6.9828 -14.2093 8.02429 20.028 TIMING: 4236400 CPU: 13462.7, 0.00321068/step Wall: 13462.7, 0.00321068/step, 0.681021 hours remaining, 238.355469 MB of memory in use. ENERGY: 4236400 4035.0531 20504.5850 14421.5328 269.0173 -203556.5969 2603.0949 0.0000 0.0000 52038.8186 -109684.4952 299.0678 -161723.3138 -109317.2419 299.0409 -114.4148 -76.0442 760506.3294 16.9250 16.9496 PRESSURE: 4236600 113.593 -79.1366 -1.48985 -79.1362 -35.1619 -38.0774 -1.4897 -38.0772 -105.652 GPRESSURE: 4236600 117.52 -120.224 30.6149 -145.898 -38.3469 -91.6088 -1.99947 -143.847 -29.0439 PRESSAVG: 4236600 64.888 -27.1244 60.8419 -27.1244 -34.0081 18.8709 60.8419 18.8709 -3.52431 GPRESSAVG: 4236600 65.8157 -26.6468 61.2163 -31.0225 -34.0118 20.0292 61.8519 16.8471 -4.34127 TIMING: 4236600 CPU: 13463.3, 0.00315302/step Wall: 13463.3, 0.00315302/step, 0.668616 hours remaining, 238.558594 MB of memory in use. ENERGY: 4236600 4057.0678 20564.8658 14585.3928 256.5088 -203678.4682 2690.2268 0.0000 0.0000 52002.3789 -109522.0273 298.8584 -161524.4062 -109157.7038 299.2061 -9.0736 16.7098 761429.2662 9.1185 9.1542 PRESSURE: 4236800 174.184 -37.8941 -213.98 -37.8944 114.283 204.342 -213.979 204.342 470.771 GPRESSURE: 4236800 184.553 -127.221 -243.266 55.4242 209.975 166.228 -97.5342 203.982 454.611 PRESSAVG: 4236800 -2.15667 -23.0318 42.2189 -23.0318 32.781 26.8031 42.2188 26.803 9.07757 GPRESSAVG: 4236800 -2.98912 -24.2941 43.5796 -19.2588 33.6044 25.944 42.7625 27.4646 8.81226 TIMING: 4236800 CPU: 13463.9, 0.00315802/step Wall: 13463.9, 0.00315802/step, 0.669499 hours remaining, 238.558594 MB of memory in use. ENERGY: 4236800 3990.8279 20530.7645 14436.8431 235.5445 -203755.5114 2743.9312 0.0000 0.0000 52101.7992 -109715.8011 299.4298 -161817.6003 -109346.3075 298.8874 253.0793 283.0464 759596.8523 13.2340 13.1425 PRESSURE: 4237000 -165.075 49.7468 -110.301 49.7472 -1.34598 16.9854 -110.3 16.9847 319.696 GPRESSURE: 4237000 -114.824 29.0765 -39.7978 73.9624 5.86073 25.0281 -51.7694 77.34 324.7 PRESSAVG: 4237000 -46.1175 0.182619 -4.27713 0.182584 40.5582 -22.9329 -4.27715 -22.9329 -13.8671 GPRESSAVG: 4237000 -44.8912 -0.0472736 -4.74687 0.167204 38.5121 -21.0525 -5.38696 -22.5844 -12.8465 TIMING: 4237000 CPU: 13464.5, 0.00314575/step Wall: 13464.5, 0.00314575/step, 0.666724 hours remaining, 238.558594 MB of memory in use. ENERGY: 4237000 4093.7205 20459.9937 14506.5833 247.6475 -203813.8899 2846.4537 0.0000 0.0000 52181.6655 -109477.8256 299.8887 -161659.4911 -109120.9018 298.9105 51.0918 71.9123 760418.5325 -6.4755 -6.4086 PRESSURE: 4237200 416.603 -219.871 257.363 -219.871 189.358 -51.6024 257.362 -51.6035 332.815 GPRESSURE: 4237200 362.05 -160.475 214.177 -137.866 277.983 -83.0379 160.956 -27.4264 370.609 PRESSAVG: 4237200 -45.7975 -23.05 18.8023 -23.05 47.2581 32.8067 18.8022 32.8067 30.7262 GPRESSAVG: 4237200 -47.6932 -22.1813 19.0975 -24.76 49.7584 31.7557 16.5419 32.9153 29.6151 TIMING: 4237200 CPU: 13465.2, 0.00316461/step Wall: 13465.2, 0.00316461/step, 0.670547 hours remaining, 238.558594 MB of memory in use. ENERGY: 4237200 3983.2104 20521.8332 14507.5023 221.1740 -203841.0602 2972.3051 0.0000 0.0000 51996.0239 -109639.0114 298.8219 -161635.0352 -109285.5009 298.7430 312.9252 336.8810 760190.4552 10.7289 10.5601 PRESSURE: 4237400 360.908 -21.3399 -150.707 -21.3406 56.9321 -100.73 -150.706 -100.73 132.441 GPRESSURE: 4237400 340.875 66.5874 -102.241 -20.732 148.092 -110.916 -132.946 -22.6826 148.028 PRESSAVG: 4237400 -13.4105 -43.693 23.7454 -43.6931 26.5739 37.0393 23.7455 37.0394 8.33719 GPRESSAVG: 4237400 -13.3938 -43.8707 24.1658 -44.18 25.312 36.0675 25.7025 38.6564 9.04957 TIMING: 4237400 CPU: 13465.8, 0.00315345/step Wall: 13465.8, 0.00315345/step, 0.668007 hours remaining, 238.558594 MB of memory in use. ENERGY: 4237400 3962.8311 20345.1520 14499.9161 251.1699 -203359.0288 2651.0925 0.0000 0.0000 51972.7302 -109676.1369 298.6880 -161648.8671 -109311.5960 299.0179 183.4271 212.3318 761007.7141 7.1669 6.9893 PRESSURE: 4237600 361.829 167.058 -47.9379 167.058 102.503 63.5978 -47.9387 63.5976 11.2993 GPRESSURE: 4237600 281.732 105.12 63.9066 119.914 140.051 37.6521 -71.5742 6.26564 114.696 PRESSAVG: 4237600 5.5209 29.2567 6.38499 29.2567 2.12982 -80.0659 6.38495 -80.0659 -13.1295 GPRESSAVG: 4237600 5.065 28.8978 6.48034 31.7427 2.82987 -79.9982 5.27317 -81.8304 -13.0917 TIMING: 4237600 CPU: 13466.4, 0.00316988/step Wall: 13466.4, 0.00316988/step, 0.67131 hours remaining, 238.558594 MB of memory in use. ENERGY: 4237600 4016.8062 20507.5075 14497.0864 267.5615 -203251.3854 2492.3133 0.0000 0.0000 51847.3420 -109622.7685 297.9674 -161470.1105 -109269.7608 298.7682 158.5436 178.8262 760789.9927 -1.8263 -1.7323 PRESSURE: 4237800 124.711 -76.9745 -135.023 -76.9737 167.838 -50.7474 -135.023 -50.7477 157.081 GPRESSURE: 4237800 257.599 -147.392 -166.002 -83.5018 141.514 11.0279 -171.178 -16.9753 142.497 PRESSAVG: 4237800 21.955 -37.4635 20.7436 -37.4635 -48.7618 -16.6436 20.7436 -16.6435 -14.5965 GPRESSAVG: 4237800 23.9019 -38.847 20.1511 -39.0564 -50.3295 -14.8319 22.6729 -17.2217 -14.1899 TIMING: 4237800 CPU: 13467.1, 0.00318037/step Wall: 13467.1, 0.00318037/step, 0.673354 hours remaining, 238.558594 MB of memory in use. ENERGY: 4237800 3992.3286 20414.8409 14456.2102 258.2491 -203556.9142 2836.5405 0.0000 0.0000 52251.6176 -109347.1274 300.2908 -161598.7449 -108983.2142 299.1590 149.8768 180.5368 760222.9159 -13.8011 -13.5392 PRESSURE: 4238000 213.917 37.9821 -15.1522 37.9813 121.37 107.888 -15.1524 107.887 -487.691 GPRESSURE: 4238000 240.561 26.1937 -24.8882 36.3192 95.8253 208.35 -140.704 8.68298 -377.914 PRESSAVG: 4238000 30.6194 -43.2159 23.2695 -43.2159 3.89767 13.2822 23.2694 13.2821 -20.4689 GPRESSAVG: 4238000 30.2359 -40.7642 21.9775 -46.1141 4.51773 12.9757 22.7333 13.3488 -20.0474 TIMING: 4238000 CPU: 13467.7, 0.00319919/step Wall: 13467.7, 0.00319919/step, 0.677162 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4238000 4000.0928 20577.5003 14474.9255 239.6620 -203214.1746 2518.5332 0.0000 0.0000 52022.0582 -109381.4026 298.9715 -161403.4609 -109019.3957 299.6897 -50.8015 -13.8426 761882.6016 4.6827 4.9021 PRESSURE: 4238200 -72.0771 32.6769 24.7741 32.6769 -41.2694 -3.97044 24.7741 -3.96952 -282.737 GPRESSURE: 4238200 -13.4144 -157.568 78.1632 62.0682 19.2534 -20.647 57.1674 120.757 -301.675 PRESSAVG: 4238200 -14.9864 -75.7858 -20.5995 -75.7858 -18.4426 -24.6259 -20.5995 -24.6259 29.2151 GPRESSAVG: 4238200 -15.8418 -78.9019 -19.5127 -71.534 -18.4911 -25.854 -21.1159 -24.3343 30.0448 TIMING: 4238200 CPU: 13468.4, 0.00320123/step Wall: 13468.4, 0.00320123/step, 0.677415 hours remaining, 238.558594 MB of memory in use. ENERGY: 4238200 4020.5152 20489.7480 14513.6449 259.4743 -203384.3678 2586.1059 0.0000 0.0000 52054.5645 -109460.3149 299.1583 -161514.8795 -109096.8866 299.2318 -132.0277 -98.6121 762152.2019 -1.4046 -1.4293 PRESSURE: 4238400 -55.8171 93.7858 -112.184 93.7854 -146.435 -119.706 -112.184 -119.705 235.263 GPRESSURE: 4238400 50.4488 19.4362 -101.549 200.787 -166.723 -93.9685 -177.862 -96.7479 246.048 PRESSAVG: 4238400 -15.3385 -61.7786 6.76236 -61.7786 -0.78372 39.9742 6.76236 39.9741 -20.1099 GPRESSAVG: 4238400 -13.9452 -59.5833 5.75018 -63.8222 0.104224 38.6803 5.52093 42.3016 -21.9346 TIMING: 4238400 CPU: 13469, 0.00317335/step Wall: 13469, 0.00317335/step, 0.67134 hours remaining, 238.558594 MB of memory in use. ENERGY: 4238400 3895.5621 20601.8000 14520.8076 242.9425 -203259.5784 2441.3258 0.0000 0.0000 51983.0654 -109574.0749 298.7474 -161557.1403 -109210.3159 299.1850 11.0037 43.2580 762218.1864 -12.0774 -11.9252 PRESSURE: 4238600 145.78 46.6854 0.685053 46.686 152.742 -20.4542 0.684863 -20.4545 -160.448 GPRESSURE: 4238600 129.213 -36.5327 11.0409 158.29 248.68 119.625 110.828 -4.48001 -162.17 PRESSAVG: 4238600 -10.1322 -26.2642 8.66942 -26.2641 -0.437032 -21.9805 8.66941 -21.9805 -14.3717 GPRESSAVG: 4238600 -10.9989 -27.3243 9.43598 -25.1153 -0.872456 -20.0501 10.1111 -23.4981 -13.5992 TIMING: 4238600 CPU: 13469.6, 0.00316551/step Wall: 13469.6, 0.00316551/step, 0.669505 hours remaining, 238.558594 MB of memory in use. ENERGY: 4238600 3920.7960 20385.7627 14598.8496 241.1808 -202935.5883 2400.3497 0.0000 0.0000 51957.6010 -109431.0486 298.6010 -161388.6495 -109071.2120 299.0681 46.0244 71.9076 761981.0733 -8.3136 -8.4902 PRESSURE: 4238800 70.6291 153.607 -116.115 153.607 -253.9 99.183 -116.115 99.1827 210.585 GPRESSURE: 4238800 87.1212 182.241 -87.4379 101.74 -222.04 87.7788 -175.498 45.4783 244.608 PRESSAVG: 4238800 5.99157 15.8393 28.3865 15.8393 55.3424 35.0767 28.3865 35.0767 34.5044 GPRESSAVG: 4238800 6.80767 15.5309 29.2359 13.8045 55.0433 34.2608 27.0841 33.5279 33.5635 TIMING: 4238800 CPU: 13470.3, 0.0031583/step Wall: 13470.3, 0.0031583/step, 0.667804 hours remaining, 238.558594 MB of memory in use. ENERGY: 4238800 4074.6441 20586.9811 14453.0896 263.6402 -203294.0121 2569.2292 0.0000 0.0000 51840.9743 -109505.4536 297.9308 -161346.4279 -109161.9746 299.1559 9.1047 36.5631 760579.6233 31.9461 31.8048 PRESSURE: 4239000 -287.965 -53.8638 215.08 -53.8636 -383.474 -41.0882 215.08 -41.0879 -58.3909 GPRESSURE: 4239000 -292.529 -43.9989 137.073 -47.0882 -302.172 -45.5947 198.681 144.448 -52.7184 PRESSAVG: 4239000 25.2356 0.343614 59.0202 0.343635 -37.8406 35.7988 59.0203 35.7989 33.2752 GPRESSAVG: 4239000 24.2145 -0.703196 57.371 3.21022 -37.8317 36.0167 59.4125 37.101 34.1005 TIMING: 4239000 CPU: 13470.9, 0.00317935/step Wall: 13470.9, 0.00317935/step, 0.672079 hours remaining, 238.558594 MB of memory in use. ENERGY: 4239000 3983.2918 20604.3773 14511.8480 262.6670 -203549.6851 2636.1542 0.0000 0.0000 51887.6696 -109663.6772 298.1992 -161551.3468 -109308.1815 298.8806 -243.2766 -215.8067 760827.4666 6.8901 6.8277 PRESSURE: 4239200 -41.8449 -23.738 269.518 -23.738 -113.145 221.901 269.517 221.901 449.997 GPRESSURE: 4239200 -3.41097 -102.967 278.731 -73.1078 -92.7586 252.128 291.873 124.349 464.718 PRESSAVG: 4239200 -0.426531 -20.6775 63.692 -20.6774 -2.6275 -17.0889 63.692 -17.0889 22.2552 GPRESSAVG: 4239200 1.1397 -19.7984 66.1731 -21.9521 -3.53408 -18.2807 63.6144 -14.493 21.5032 TIMING: 4239200 CPU: 13471.5, 0.00317847/step Wall: 13471.5, 0.00317847/step, 0.671716 hours remaining, 238.558594 MB of memory in use. ENERGY: 4239200 4045.0598 20494.7095 14489.2589 249.5097 -203651.2167 2775.4970 0.0000 0.0000 51969.6680 -109627.5139 298.6704 -161597.1819 -109272.9314 298.7637 98.3356 122.8494 760428.9066 6.4004 6.3696 PRESSURE: 4239400 -41.1084 31.3368 -274.815 31.3375 -408.603 -154.558 -274.816 -154.559 187.79 GPRESSURE: 4239400 16.4002 44.4659 -219.308 80.6272 -417.911 -169.397 -254.738 -70.1945 228.014 PRESSAVG: 4239400 34.8244 -55.5525 -20.9911 -55.5525 -22.2949 56.2352 -20.9911 56.2352 23.9044 GPRESSAVG: 4239400 33.3638 -53.8146 -20.9058 -56.586 -21.2509 57.3603 -19.76 54.3617 23.3368 TIMING: 4239400 CPU: 13472.2, 0.00320048/step Wall: 13472.2, 0.00320048/step, 0.676189 hours remaining, 238.558594 MB of memory in use. ENERGY: 4239400 3933.4283 20551.4076 14474.0350 244.5238 -203136.3695 2485.5294 0.0000 0.0000 52086.5253 -109360.9203 299.3420 -161447.4455 -108995.9758 299.4828 -87.3072 -57.8322 761927.6890 12.1446 11.8166 PRESSURE: 4239600 31.9511 -106.49 204.577 -106.49 56.7672 -21.7025 204.577 -21.7038 113.369 GPRESSURE: 4239600 119.873 -52.351 345.337 -169.421 58.341 -9.11126 193.285 -70.0657 126.174 PRESSAVG: 4239600 44.2021 -3.7766 9.65773 -3.77659 -15.0745 14.2637 9.65772 14.2637 14.1621 GPRESSAVG: 4239600 43.3928 -4.09108 8.95325 -3.81696 -15.144 13.1472 7.64821 15.2739 15.4273 TIMING: 4239600 CPU: 13472.8, 0.00316465/step Wall: 13472.8, 0.00316465/step, 0.668445 hours remaining, 238.558594 MB of memory in use. ENERGY: 4239600 3915.6805 20535.8242 14594.4627 234.4918 -203357.7126 2809.7012 0.0000 0.0000 52162.5202 -109105.0321 299.7787 -161267.5523 -108733.6315 300.1335 67.3625 101.4627 761429.4448 14.4299 14.5587 PRESSURE: 4239800 105.507 -141.446 -37.5127 -141.446 107.252 2.38619 -37.5116 2.38536 18.9834 GPRESSURE: 4239800 34.544 -213.207 -84.1161 -100.186 217.732 18.9891 0.908676 -99.0511 64.4637 PRESSAVG: 4239800 -6.21609 -32.2782 -0.5321 -32.2782 8.35599 -3.67532 -0.532126 -3.67538 -26.6484 GPRESSAVG: 4239800 -6.29906 -33.9628 0.0452216 -31.9911 8.10119 -2.39948 1.58807 -3.95086 -27.0481 TIMING: 4239800 CPU: 13473.4, 0.00315483/step Wall: 13473.4, 0.00315483/step, 0.666196 hours remaining, 238.558594 MB of memory in use. ENERGY: 4239800 3994.6169 20494.3191 14536.3037 240.0525 -203424.5224 2833.1261 0.0000 0.0000 52305.1381 -109020.9661 300.5983 -161326.1042 -108661.3535 300.3974 77.2473 105.5798 761471.6568 -8.1695 -8.4153 PRESSURE: 4240000 154.101 14.7777 107.625 14.777 -430.62 -97.2251 107.625 -97.2239 -305.624 GPRESSURE: 4240000 161.495 59.401 67.9981 -74.7769 -370.565 -161.874 125.383 -102.526 -309.861 PRESSAVG: 4240000 -29.8699 -34.865 38.6435 -34.865 -30.0979 -42.2256 38.6435 -42.2256 7.01094 GPRESSAVG: 4240000 -28.3345 -31.7034 36.8747 -35.1239 -30.8908 -43.4794 37.5892 -42.9443 6.92797 TIMING: 4240000 CPU: 13474.1, 0.00315546/step Wall: 13474.1, 0.00315546/step, 0.666152 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4240000 4082.0488 20566.6086 14519.2737 271.2241 -203077.3561 2530.9355 0.0000 0.0000 52076.8786 -109030.3868 299.2865 -161107.2654 -108661.6829 300.0825 -194.0477 -172.9770 763317.0182 -17.6523 -17.4325 PRESSURE: 4240200 -520.275 135.81 171.817 135.81 -320.765 125.294 171.816 125.294 -297.324 GPRESSURE: 4240200 -452.235 217.849 149.589 130.234 -289.169 127.047 208.374 134.728 -341.127 PRESSAVG: 4240200 12.2318 15.1347 -0.0734637 15.1346 8.72339 12.1645 -0.0734739 12.1645 44.4487 GPRESSAVG: 4240200 11.6566 13.8556 1.16966 17.2127 8.95415 13.7863 0.414508 13.6328 44.498 TIMING: 4240200 CPU: 13474.7, 0.00317434/step Wall: 13474.7, 0.00317434/step, 0.669962 hours remaining, 238.558594 MB of memory in use. ENERGY: 4240200 3999.2197 20574.3582 14537.6848 261.3415 -202877.6544 2349.3063 0.0000 0.0000 52118.5154 -109037.2285 299.5258 -161155.7439 -108689.4684 300.2411 -379.4547 -360.8440 763367.2763 21.8013 21.7029 LDB: ============= START OF LOAD BALANCING ============== 13487.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13487.1 LDB: =============== DONE WITH MIGRATION ================ 13487.1 LDB: ============= START OF LOAD BALANCING ============== 13487.4 LDB: Largest compute 7075 load 0.037469 is 19.1% of average load 0.196221 LDB: Average compute 0.004399 is 2.2% of average load 0.196221 LDB: TIME 13487.4 LOAD: AVG 0.196221 MAX 0.216002 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 13487.4 LOAD: AVG 0.196221 MAX 0.216002 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 13487.4 LOAD: AVG 0.196221 MAX 0.216002 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 13487.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13487.4 PRESSURE: 4240400 -163.099 -290.623 179.01 -290.624 -124.808 72.4268 179.01 72.427 64.6044 GPRESSURE: 4240400 -118.404 -289.966 160.595 -140.254 -27.082 60.9885 88.9744 89.9426 5.28367 PRESSAVG: 4240400 10.6801 -7.47762 31.465 -7.47756 5.09954 5.0048 31.4651 5.00485 36.7906 GPRESSAVG: 4240400 11.11 -7.18333 30.8636 -8.49676 5.15283 5.96071 30.0117 3.71601 36.1393 TIMING: 4240400 CPU: 13475.3, 0.00322425/step Wall: 13475.3, 0.00322425/step, 0.680317 hours remaining, 237.437500 MB of memory in use. ENERGY: 4240400 4101.7400 20535.3679 14434.4193 260.6842 -203062.4662 2611.6691 0.0000 0.0000 52437.6292 -108680.9565 301.3598 -161118.5857 -108316.9489 300.7735 -74.4341 -46.7342 763198.6932 17.5234 17.4674 PRESSURE: 4240600 -203.157 263.349 11.2282 263.349 108.621 128.269 11.2285 128.268 -347.785 GPRESSURE: 4240600 -144.996 294.011 -11.177 245.073 87.5875 125.984 93.4565 48.4875 -297.039 PRESSAVG: 4240600 17.3845 -26.4616 23.6913 -26.4616 -20.3409 -6.50539 23.6913 -6.50534 -12.7369 GPRESSAVG: 4240600 15.8265 -28.4316 23.1579 -26.1708 -19.8781 -9.35589 25.3417 -5.56231 -11.7236 TIMING: 4240600 CPU: 13476, 0.0031513/step Wall: 13476, 0.0031513/step, 0.664749 hours remaining, 237.640625 MB of memory in use. ENERGY: 4240600 4047.8204 20658.0148 14363.0228 222.9592 -203342.4010 2821.9320 0.0000 0.0000 52415.6916 -108812.9603 301.2337 -161228.6519 -108442.3893 300.8452 -147.4400 -118.1490 763607.1086 -5.2311 -5.2584 PRESSURE: 4240800 -65.3839 -32.895 60.0938 -32.8953 -78.6403 -36.1327 60.0939 -36.1326 2.49094 GPRESSURE: 4240800 106.008 -48.8617 125.046 19.3989 -188.741 -16.6652 64.5985 63.2754 27.303 PRESSAVG: 4240800 7.51411 -1.88737 -20.4149 -1.88735 -21.4105 6.4151 -20.4149 6.41502 -11.8868 GPRESSAVG: 4240800 8.01014 -0.320428 -17.4285 -1.41217 -21.9991 8.26912 -20.939 4.71692 -11.6857 TIMING: 4240800 CPU: 13476.6, 0.0031604/step Wall: 13476.6, 0.0031604/step, 0.666493 hours remaining, 237.640625 MB of memory in use. ENERGY: 4240800 3989.3606 20515.9793 14461.8687 227.9965 -203197.9991 2627.4344 0.0000 0.0000 52424.6634 -108950.6961 301.2853 -161375.3596 -108576.6890 300.1365 -47.1777 -18.4766 762255.5028 -8.5944 -8.5582 PRESSURE: 4241000 -286.084 101.364 -172.735 101.365 -111.595 -8.78433 -172.735 -8.78555 127.219 GPRESSURE: 4241000 -230.707 126.94 -153.565 0.667755 -117.457 60.4051 -137.509 -36.0266 169.636 PRESSAVG: 4241000 25.1784 -16.4757 10.7265 -16.4757 -15.6986 39.9031 10.7265 39.903 -3.18303 GPRESSAVG: 4241000 24.495 -16.0628 8.14088 -19.6405 -14.6706 37.6023 10.8251 43.1168 -4.00588 TIMING: 4241000 CPU: 13477.2, 0.00318404/step Wall: 13477.2, 0.00318404/step, 0.671302 hours remaining, 237.640625 MB of memory in use. ENERGY: 4241000 3993.7553 20559.2928 14462.3925 237.6439 -202816.8259 2444.4757 0.0000 0.0000 52178.2151 -108941.0505 299.8689 -161119.2656 -108584.6412 300.1601 -90.1531 -59.5093 763762.8345 2.0989 1.9395 PRESSURE: 4241200 -201.142 -73.0518 99.2415 -73.052 120.5 21.1137 99.242 21.1143 51.8596 GPRESSURE: 4241200 -181.97 -40.9603 10.8882 -23.9003 91.3883 116.451 63.1989 47.0577 132.479 PRESSAVG: 4241200 -17.1465 -27.1214 -14.3813 -27.1214 69.2807 32.1484 -14.3814 32.1484 4.81763 GPRESSAVG: 4241200 -16.9644 -30.2653 -15.7895 -24.5001 68.6439 33.6051 -13.6023 29.336 4.7905 TIMING: 4241200 CPU: 13477.9, 0.003186/step Wall: 13477.9, 0.003186/step, 0.671537 hours remaining, 237.640625 MB of memory in use. ENERGY: 4241200 3952.5967 20663.3658 14472.5830 236.7704 -202935.4254 2424.2977 0.0000 0.0000 52118.7571 -109067.0548 299.5272 -161185.8119 -108709.5604 300.2197 -9.5943 13.9657 761627.0706 18.9839 18.8233 PRESSURE: 4241400 -56.6111 245.344 -209.332 245.344 -244.015 82.2347 -209.332 82.2341 14.8649 GPRESSURE: 4241400 -6.44068 151.911 -221.365 142.569 -191.178 197.043 -239.257 7.91173 -5.32213 PRESSAVG: 4241400 -13.4928 -52.0377 -18.5111 -52.0377 -29.6489 22.8872 -18.5112 22.8872 16.7823 GPRESSAVG: 4241400 -13.6462 -49.1319 -16.037 -52.814 -28.3396 24.2811 -18.72 23.6717 16.4052 TIMING: 4241400 CPU: 13478.5, 0.00319327/step Wall: 13478.5, 0.00319327/step, 0.672894 hours remaining, 237.640625 MB of memory in use. ENERGY: 4241400 4013.9238 20488.2425 14420.7303 246.3863 -203195.6087 2849.3322 0.0000 0.0000 51970.5834 -109206.4102 298.6757 -161176.9936 -108843.8987 299.4821 -95.2539 -67.6471 762967.5488 -8.7865 -8.5268 PRESSURE: 4241600 386.737 -3.12151 23.6272 -3.12242 193.2 -160.837 23.6274 -160.837 -132.422 GPRESSURE: 4241600 315.512 -23.7968 50.6483 -11.3526 218.261 -210.992 -15.0149 -62.6027 -15.9008 PRESSAVG: 4241600 30.9032 16.6522 -39.3154 16.6522 -23.9406 -23.2089 -39.3154 -23.2089 -15.9314 GPRESSAVG: 4241600 31.1868 16.1472 -39.8283 16.9005 -24.3756 -24.9391 -40.0028 -21.378 -15.519 TIMING: 4241600 CPU: 13479.2, 0.00317926/step Wall: 13479.2, 0.00317926/step, 0.669763 hours remaining, 237.640625 MB of memory in use. ENERGY: 4241600 3973.8259 20440.5680 14475.7343 247.6952 -202992.7937 2617.9923 0.0000 0.0000 52006.2681 -109230.7098 298.8807 -161236.9779 -108871.2127 299.1393 149.1720 172.6238 761501.9514 -2.9896 -2.9026 PRESSURE: 4241800 219.201 -97.8425 337.374 -97.8421 410.816 -90.7425 337.374 -90.7417 85.2395 GPRESSURE: 4241800 285.872 -55.1863 382.166 -59.2446 441.21 -108.369 275.587 -162.285 66.5614 PRESSAVG: 4241800 -14.089 -24.27 12.285 -24.27 10.5538 -7.23638 12.285 -7.23637 -41.3486 GPRESSAVG: 4241800 -12.7804 -25.5216 12.2205 -23.7091 8.6838 -6.05397 12.0807 -7.95404 -40.9873 TIMING: 4241800 CPU: 13479.8, 0.0031507/step Wall: 13479.8, 0.0031507/step, 0.663572 hours remaining, 237.640625 MB of memory in use. ENERGY: 4241800 3952.2869 20490.5428 14457.2990 233.4027 -203553.3284 2878.4082 0.0000 0.0000 52248.2776 -109293.1112 300.2716 -161541.3888 -108921.6190 298.8397 238.4186 264.5479 762488.8415 -14.9613 -15.0280 PRESSURE: 4242000 -88.5597 17.2297 74.1769 17.2297 325.497 -68.8507 74.1774 -68.8483 228.826 GPRESSURE: 4242000 -80.245 92.2247 118.571 11.2228 389.753 -52.345 130.378 -59.0819 228.844 PRESSAVG: 4242000 16.6469 33.7677 64.4271 33.7677 -18.2948 -55.2408 64.4271 -55.2408 10.4643 GPRESSAVG: 4242000 16.6229 35.8422 64.7409 32.8001 -16.8709 -55.6585 65.5834 -56.9148 9.39048 TIMING: 4242000 CPU: 13480.4, 0.00315388/step Wall: 13480.4, 0.00315388/step, 0.664067 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4242000 3990.8229 20628.8602 14452.4817 251.5840 -203185.9428 2584.3605 0.0000 0.0000 51953.5978 -109324.2356 298.5780 -161277.8334 -108966.9879 298.8188 155.2544 179.4508 761616.6612 2.9388 3.0475 PRESSURE: 4242200 455.877 43.4326 -106.72 43.4332 -142.157 -180.954 -106.719 -180.953 381.114 GPRESSURE: 4242200 410.385 -28.7538 -145.065 60.0531 -112.061 -50.3558 -4.13376 -236.196 476.413 PRESSAVG: 4242200 31.1508 -23.4411 19.6805 -23.4412 -52.264 -58.0402 19.6805 -58.0402 0.778962 GPRESSAVG: 4242200 30.0706 -24.3678 19.0456 -23.6041 -51.4972 -57.1439 20.2147 -57.8725 1.95498 TIMING: 4242200 CPU: 13481.1, 0.00317039/step Wall: 13481.1, 0.0031704/step, 0.667368 hours remaining, 237.640625 MB of memory in use. ENERGY: 4242200 3937.7673 20612.0770 14504.5646 252.2547 -203141.3197 2494.8280 0.0000 0.0000 52037.5740 -109302.2540 299.0607 -161339.8280 -108944.7797 299.1873 231.6115 258.2455 761197.2174 -6.7781 -6.4905 PRESSURE: 4242400 265.503 -25.9079 -4.21327 -25.9067 232.426 3.46903 -4.21346 3.46916 -203.898 GPRESSURE: 4242400 240.64 29.7127 92.7521 -47.5403 299.742 -36.7105 68.8353 38.592 -140.408 PRESSAVG: 4242400 16.3175 -11.7399 -11.4152 -11.7399 -47.7776 -9.04062 -11.4153 -9.04061 -10.6814 GPRESSAVG: 4242400 16.6045 -12.5916 -10.806 -9.51156 -47.6407 -11.1429 -13.1192 -8.25225 -11.0391 TIMING: 4242400 CPU: 13481.7, 0.00314886/step Wall: 13481.7, 0.00314886/step, 0.662659 hours remaining, 237.640625 MB of memory in use. ENERGY: 4242400 3923.1537 20521.2454 14476.8651 243.9697 -202781.6535 2210.0855 0.0000 0.0000 52314.7509 -109091.5832 300.6536 -161406.3341 -108726.2676 299.3788 98.0105 133.3246 761194.7421 -14.0471 -14.0251 PRESSURE: 4242600 -547.183 -345.716 -138.485 -345.715 10.8914 -167.462 -138.486 -167.46 35.2511 GPRESSURE: 4242600 -439.216 -256.317 -156.464 -289.349 -28.4576 -71.5491 3.46052 -62.3631 60.1888 PRESSAVG: 4242600 -19.4073 -15.0232 -11.0726 -15.0233 12.7532 -26.6442 -11.0725 -26.6442 5.40904 GPRESSAVG: 4242600 -17.6658 -15.0976 -10.8927 -15.8889 10.4033 -26.2044 -9.76683 -25.958 5.66852 TIMING: 4242600 CPU: 13482.3, 0.00315544/step Wall: 13482.3, 0.00315544/step, 0.663869 hours remaining, 237.640625 MB of memory in use. ENERGY: 4242600 4053.4876 20406.0419 14491.4862 246.7530 -202741.1860 2250.2707 0.0000 0.0000 52050.7292 -109242.4175 299.1363 -161293.1466 -108873.7615 299.7832 -167.0136 -135.8281 762324.8930 -0.4150 -0.5313 PRESSURE: 4242800 21.4479 -158.805 -140.071 -158.804 -101.116 -13.4849 -140.071 -13.4848 195.618 GPRESSURE: 4242800 45.515 -169.841 -141.454 -195.663 -6.79418 -92.3811 -170.661 176.669 171.135 PRESSAVG: 4242800 -16.5118 -33.2074 26.0057 -33.2074 16.2115 -32.7582 26.0057 -32.758 0.312091 GPRESSAVG: 4242800 -18.4795 -31.5226 24.3785 -34.2483 17.3981 -32.406 27.5778 -33.4707 1.3724 TIMING: 4242800 CPU: 13482.9, 0.00317451/step Wall: 13482.9, 0.00317451/step, 0.667705 hours remaining, 237.640625 MB of memory in use. ENERGY: 4242800 4065.8908 20505.9013 14473.6652 257.5526 -203201.3472 2776.0125 0.0000 0.0000 52127.4613 -108994.8636 299.5772 -161122.3249 -108639.7252 299.4973 38.6500 69.9518 761598.6697 0.0039 0.0970 PRESSURE: 4243000 43.6159 72.3296 23.4544 72.3297 57.5295 104.91 23.4558 104.911 -5.60214 GPRESSURE: 4243000 71.368 130.838 75.6431 81.4618 134.248 49.4702 129.812 216.398 -40.7266 PRESSAVG: 4243000 48.8655 36.7846 -20.8926 36.7846 -31.2723 6.95644 -20.8926 6.9565 17.8737 GPRESSAVG: 4243000 49.6304 34.9442 -19.5701 39.6142 -30.6135 8.01095 -23.1589 8.6763 16.3816 TIMING: 4243000 CPU: 13483.6, 0.00319251/step Wall: 13483.6, 0.00319251/step, 0.671314 hours remaining, 237.640625 MB of memory in use. ENERGY: 4243000 3962.7834 20645.4922 14465.5044 212.3201 -202795.6208 2531.8853 0.0000 0.0000 52008.6693 -108968.9662 298.8945 -160977.6355 -108597.6571 300.1338 31.8478 54.9631 762804.3304 11.8223 11.7995 PRESSURE: 4243200 301.066 -119.715 -90.1186 -119.713 -186.454 1.88031 -90.1198 1.88003 -632.766 GPRESSURE: 4243200 304.928 -120.668 -210.58 -127.969 -111.618 90.2074 -198.549 4.32253 -638.655 PRESSAVG: 4243200 64.6277 37.2236 -2.82688 37.2236 -27.4716 -17.2218 -2.82688 -17.2218 21.1131 GPRESSAVG: 4243200 64.1555 38.3399 -3.71469 33.587 -28.0837 -17.7156 -3.38698 -19.3914 21.9919 TIMING: 4243200 CPU: 13484.2, 0.00317893/step Wall: 13484.2, 0.00317893/step, 0.668282 hours remaining, 237.640625 MB of memory in use. ENERGY: 4243200 3994.0460 20580.0814 14434.8807 234.3241 -202986.1099 2414.8118 0.0000 0.0000 52126.9574 -109201.0086 299.5743 -161327.9660 -108835.5122 299.7333 -172.7179 -148.4486 761390.2129 19.4231 19.3546 PRESSURE: 4243400 -416.629 -62.447 16.524 -62.4469 -13.6114 -106.101 16.5247 -106.101 -715.796 GPRESSURE: 4243400 -391.774 -49.2069 19.8513 -1.65444 -50.6217 -129.043 -100.613 15.5285 -625.953 PRESSAVG: 4243400 12.4211 11.4043 10.8237 11.4043 35.1072 6.28603 10.8237 6.28601 -10.8629 GPRESSAVG: 4243400 12.4256 11.288 12.2262 13.2416 33.9074 5.95767 9.32347 5.98566 -9.98696 TIMING: 4243400 CPU: 13484.9, 0.00315104/step Wall: 13484.9, 0.00315104/step, 0.662243 hours remaining, 237.640625 MB of memory in use. ENERGY: 4243400 4056.8609 20636.4454 14494.8599 242.8923 -202662.6558 2136.1483 0.0000 0.0000 51932.8445 -109162.6045 298.4588 -161095.4490 -108801.5646 299.7000 -382.0123 -356.1163 761237.1640 12.2218 12.1153 PRESSURE: 4243600 42.8453 -70.3538 -53.215 -70.3534 -305.967 -162.757 -53.2159 -162.757 -484.563 GPRESSURE: 4243600 61.5728 -61.2867 -158.127 11.7179 -296.67 -136.428 45.3893 -142.031 -413.952 PRESSAVG: 4243600 20.3036 -14.9317 22.6888 -14.9316 -18.3354 18.5361 22.6888 18.5362 -2.53342 GPRESSAVG: 4243600 21.3532 -14.8114 21.5558 -14.9353 -17.0872 18.3543 25.0418 21.841 -4.00777 TIMING: 4243600 CPU: 13485.5, 0.0031543/step Wall: 13485.5, 0.0031543/step, 0.662754 hours remaining, 237.640625 MB of memory in use. ENERGY: 4243600 3995.3320 20404.4232 14450.8451 240.3504 -202796.7546 2211.3802 0.0000 0.0000 52137.3347 -109357.0890 299.6340 -161494.4238 -109001.9140 299.5927 -249.2284 -216.3499 762235.9480 -0.1884 0.0861 PRESSURE: 4243800 -54.2452 202.457 -5.68034 202.457 -13.7059 -324.48 -5.67994 -324.481 -431.319 GPRESSURE: 4243800 13.757 290.664 -110.011 128.126 -22.4154 -313.891 -59.1626 -404.562 -379.204 PRESSAVG: 4243800 15.1291 -77.6355 -29.8982 -77.6355 -8.11864 -67.8828 -29.8982 -67.8828 16.2103 GPRESSAVG: 4243800 15.2694 -78.4226 -28.9267 -77.2541 -8.02862 -68.3216 -29.3397 -68.1096 16.1518 TIMING: 4243800 CPU: 13486.1, 0.00316481/step Wall: 13486.1, 0.00316481/step, 0.664786 hours remaining, 237.640625 MB of memory in use. ENERGY: 4243800 4065.2793 20620.9312 14380.3027 232.2654 -202909.8354 2365.3228 0.0000 0.0000 51894.1685 -109351.5656 298.2365 -161245.7340 -108994.8560 298.9224 -166.4233 -129.2876 761135.7916 7.7403 7.7975 PRESSURE: 4244000 149.812 -30.2047 121.882 -30.2048 -160.823 -73.844 121.882 -73.8445 16.6808 GPRESSURE: 4244000 89.6037 3.8926 107.328 99.4344 -87.5063 -46.0909 35.0015 -87.6441 108.734 PRESSAVG: 4244000 13.5377 -16.0938 -9.85879 -16.0939 -34.9221 24.4263 -9.85878 24.4263 7.35478 GPRESSAVG: 4244000 13.3301 -14.6392 -9.15067 -16.3565 -34.994 25.2204 -10.356 22.0228 8.15508 TIMING: 4244000 CPU: 13486.7, 0.00316437/step Wall: 13486.7, 0.00316437/step, 0.664518 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4244000 4001.4167 20559.6748 14399.0665 241.4711 -203265.8304 2606.5976 0.0000 0.0000 52208.4771 -109249.1266 300.0428 -161457.6037 -108892.2439 299.1020 1.8897 36.9438 762317.3856 -4.6765 -4.5029 PRESSURE: 4244200 440.257 -84.2614 7.61937 -84.2613 314.742 68.5993 7.61945 68.5998 -18.2033 GPRESSURE: 4244200 418.41 -84.2489 -3.28856 -95.738 355.494 154.327 -2.5267 0.393432 36.6685 PRESSAVG: 4244200 -14.2184 -50.4203 36.0192 -50.4203 4.73934 20.6874 36.0191 20.6875 -2.47437 GPRESSAVG: 4244200 -14.3774 -52.4837 34.8753 -51.3125 4.30817 20.1627 34.6585 19.8108 -2.55038 TIMING: 4244200 CPU: 13487.4, 0.00316585/step Wall: 13487.4, 0.00316585/step, 0.664652 hours remaining, 237.640625 MB of memory in use. ENERGY: 4244200 3978.0833 20478.4758 14433.1814 261.5976 -203464.0167 2717.3098 0.0000 0.0000 52320.3474 -109275.0214 300.6858 -161595.3688 -108901.9452 299.4999 245.5984 270.1909 761311.6074 -3.9845 -4.2065 LDB: ============= START OF LOAD BALANCING ============== 13499.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13499.8 LDB: =============== DONE WITH MIGRATION ================ 13499.8 LDB: ============= START OF LOAD BALANCING ============== 13500.1 LDB: Largest compute 7075 load 0.035341 is 18.0% of average load 0.196081 LDB: Average compute 0.004412 is 2.3% of average load 0.196081 LDB: TIME 13500.1 LOAD: AVG 0.196081 MAX 0.217361 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.441 MB LDB: TIME 13500.1 LOAD: AVG 0.196081 MAX 0.217361 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.516 MB LDB: TIME 13500.1 LOAD: AVG 0.196081 MAX 0.217361 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.516 MB LDB: ============== END OF LOAD BALANCING =============== 13500.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13500.1 PRESSURE: 4244400 42.5929 182.538 -59.3694 182.539 187.295 -167.299 -59.3696 -167.298 -235.574 GPRESSURE: 4244400 58.5814 54.4212 6.43838 224.993 175.459 -191.463 -4.48358 -107.367 -143.676 PRESSAVG: 4244400 -72.089 -10.5658 50.0638 -10.5658 -19.3708 -31.9852 50.0638 -31.9853 -4.52593 GPRESSAVG: 4244400 -73.3516 -10.147 50.2764 -9.84506 -18.5111 -31.4464 50.9293 -29.6434 -4.2839 TIMING: 4244400 CPU: 13488, 0.00322252/step Wall: 13488, 0.00322252/step, 0.676372 hours remaining, 237.332031 MB of memory in use. ENERGY: 4244400 4032.7632 20465.2341 14489.8670 229.4908 -203385.9810 2562.6868 0.0000 0.0000 52173.3647 -109432.5744 299.8410 -161605.9391 -109069.9446 299.6294 -1.8951 30.1215 760943.6889 -31.9953 -32.0489 PRESSURE: 4244600 465.413 -237.537 -155.008 -237.536 -166.035 62.6802 -155.009 62.6808 -17.0811 GPRESSURE: 4244600 414.457 -385.305 -154.644 -167.685 -62.8485 107.479 -77.2947 6.53513 13.1428 PRESSAVG: 4244600 39.1282 -12.5332 34.6483 -12.5332 -12.1664 -44.5452 34.6482 -44.5453 -6.28 GPRESSAVG: 4244600 39.6756 -12.6 35.3389 -13.0432 -11.9692 -44.0021 36.6851 -44.0978 -7.15659 TIMING: 4244600 CPU: 13488.7, 0.00318493/step Wall: 13488.7, 0.00318493/step, 0.668304 hours remaining, 237.332031 MB of memory in use. ENERGY: 4244600 3953.2640 20632.5795 14451.7885 254.2501 -203084.0922 2463.9612 0.0000 0.0000 51753.8196 -109574.4294 297.4299 -161328.2491 -109222.3106 299.3324 94.0990 121.5837 760993.6243 6.8939 6.8499 PRESSURE: 4244800 61.1443 101.496 -256.061 101.497 140.251 105.389 -256.06 105.39 393.085 GPRESSURE: 4244800 110.503 87.2007 -332.409 68.5282 214.903 135.371 -205.693 53.0619 362.433 PRESSAVG: 4244800 62.8734 -23.7771 -20.0296 -23.777 -63.1245 -32.4899 -20.0297 -32.4898 -3.78033 GPRESSAVG: 4244800 62.9518 -22.2615 -21.3505 -23.713 -62.3897 -33.2252 -21.3416 -32.6917 -4.21424 TIMING: 4244800 CPU: 13489.3, 0.00316233/step Wall: 13489.3, 0.00316233/step, 0.663387 hours remaining, 237.332031 MB of memory in use. ENERGY: 4244800 3900.0690 20632.7401 14524.2434 252.6807 -203377.5468 2594.3252 0.0000 0.0000 51874.6055 -109598.8829 298.1241 -161473.4884 -109239.6901 299.0394 198.1602 229.2797 761859.9248 -1.3438 -1.2174 PRESSURE: 4245000 -63.4985 86.4919 151.108 86.4912 -129.342 121.654 151.108 121.655 -335.299 GPRESSURE: 4245000 -103.233 -49.0408 217.001 95.255 -61.6059 95.6419 29.8213 16.1531 -280.701 PRESSAVG: 4245000 14.929 -9.11006 0.352522 -9.11008 -20.8399 -2.15124 0.352583 -2.15125 -18.8414 GPRESSAVG: 4245000 14.6236 -9.33058 1.04988 -11.1308 -22.1866 0.370423 -0.214683 -2.93496 -17.71 TIMING: 4245000 CPU: 13489.9, 0.00318727/step Wall: 13489.9, 0.00318727/step, 0.668441 hours remaining, 237.332031 MB of memory in use. ENERGY: 4245000 3992.5747 20613.4289 14421.0183 239.6004 -203000.9244 2376.9238 0.0000 0.0000 51975.1645 -109382.2137 298.7020 -161357.3782 -109020.7949 299.0109 -176.0463 -148.5133 762585.9893 -8.2508 -8.4244 PRESSURE: 4245200 291.394 58.9446 -60.5039 58.9439 86.7907 -81.23 -60.5046 -81.2304 -369.746 GPRESSURE: 4245200 272.282 91.962 -137.961 -44.5111 129.511 -120.065 27.8598 -113.278 -328.205 PRESSAVG: 4245200 2.66902 23.3383 15.53 23.3383 -8.1724 -19.9124 15.5301 -19.9123 -7.7981 GPRESSAVG: 4245200 2.69803 23.0879 16.3372 24.2986 -8.27365 -21.4731 15.8855 -20.2665 -7.7958 TIMING: 4245200 CPU: 13490.6, 0.0031553/step Wall: 13490.6, 0.0031553/step, 0.661562 hours remaining, 237.332031 MB of memory in use. ENERGY: 4245200 3895.8500 20529.4964 14448.4531 230.1971 -203329.5151 2510.2135 0.0000 0.0000 52153.5264 -109561.7785 299.7270 -161715.3049 -109190.8360 299.4407 2.8128 24.5291 761523.4017 -4.4338 -4.4571 PRESSURE: 4245400 -15.5335 -332.439 -31.5109 -332.438 -93.1492 -129.076 -31.5102 -129.076 -71.105 GPRESSURE: 4245400 -0.357453 -347.655 -174.325 -228.103 38.4685 -98.1332 122.902 -53.8847 -129.632 PRESSAVG: 4245400 -1.30814 -16.5619 8.30643 -16.5619 -60.8939 69.7676 8.30642 69.7676 4.85605 GPRESSAVG: 4245400 -1.81236 -14.7328 6.90841 -16.1212 -60.5009 70.6071 8.21792 70.5065 4.49659 TIMING: 4245400 CPU: 13491.2, 0.00317103/step Wall: 13491.2, 0.00317103/step, 0.664684 hours remaining, 237.332031 MB of memory in use. ENERGY: 4245400 3971.7745 20668.7653 14443.3768 247.4677 -203392.2789 2572.9213 0.0000 0.0000 52087.4265 -109400.5469 299.3472 -161487.9734 -109043.4005 299.4771 -59.9292 -30.5070 762690.6751 -19.1153 -19.2722 PRESSURE: 4245600 -51.7232 -34.5779 191.33 -34.577 2.01497 -43.7617 191.33 -43.7616 -102.778 GPRESSURE: 4245600 59.5388 -63.8501 247.973 -102.605 -30.3688 4.89304 238.725 -29.4171 -100.651 PRESSAVG: 4245600 3.49901 -4.55536 -14.1761 -4.55538 -22.629 44.1686 -14.1761 44.1687 -12.7252 GPRESSAVG: 4245600 5.21613 -7.18525 -14.3066 -5.05652 -24.189 43.241 -12.595 44.4054 -12.877 TIMING: 4245600 CPU: 13491.8, 0.00318447/step Wall: 13491.8, 0.00318448/step, 0.667324 hours remaining, 237.332031 MB of memory in use. ENERGY: 4245600 4047.3665 20506.6921 14398.8513 279.1075 -203568.9819 2729.3801 0.0000 0.0000 52221.9367 -109385.6477 300.1202 -161607.5844 -109014.1015 299.5158 -50.8287 -23.8269 761307.0644 -10.6184 -10.6166 PRESSURE: 4245800 -244.627 -58.58 168.805 -58.5806 -189.077 -29.4651 168.805 -29.465 289.145 GPRESSURE: 4245800 -175.155 0.466718 171.135 -62.706 -184.313 -71.6862 28.6919 -60.0571 296.422 PRESSAVG: 4245800 -24.1994 -28.8297 25.6951 -28.8297 -14.5687 -36.982 25.6951 -36.9821 5.54575 GPRESSAVG: 4245800 -25.7982 -29.4769 27.4381 -28.504 -12.6663 -36.6896 24.6818 -38.6392 5.42156 TIMING: 4245800 CPU: 13492.5, 0.00315681/step Wall: 13492.5, 0.00315681/step, 0.661353 hours remaining, 237.332031 MB of memory in use. ENERGY: 4245800 4002.1138 20802.9599 14422.4514 245.9509 -203523.2644 2682.6432 0.0000 0.0000 52159.6685 -109207.4768 299.7623 -161367.1452 -108840.7477 299.6237 -48.1860 -21.0154 761247.6264 -11.0741 -11.0143 PRESSURE: 4246000 -141.677 -21.5553 -75.441 -21.555 -350.399 158.609 -75.4412 158.608 -207.639 GPRESSURE: 4246000 -109.376 -55.1304 -86.4763 -48.5196 -264.759 74.7845 -136.59 226.78 -214.907 PRESSAVG: 4246000 36.336 2.57204 10.7119 2.57205 25.8574 11.769 10.7119 11.7691 12.1601 GPRESSAVG: 4246000 37.6847 3.12287 8.65292 4.27636 25.9255 12.1079 10.8755 12.7153 11.401 TIMING: 4246000 CPU: 13493.1, 0.00316266/step Wall: 13493.1, 0.00316266/step, 0.662401 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4246000 4061.5741 20610.9836 14418.9838 237.4809 -202911.9671 2377.2305 0.0000 0.0000 51938.2986 -109267.4155 298.4901 -161205.7142 -108917.9036 299.5511 -233.2381 -196.3474 760973.9963 24.7845 25.0037 PRESSURE: 4246200 22.8328 299.723 175.986 299.723 -6.45543 -215.307 175.985 -215.307 -170.499 GPRESSURE: 4246200 127.716 182.223 165.173 334.491 -75.1209 -202.055 96.2424 -169.877 -130.575 PRESSAVG: 4246200 3.14673 -74.5076 19.708 -74.5076 10.4877 16.0236 19.7079 16.0236 -5.43839 GPRESSAVG: 4246200 2.41534 -75.7761 22.2312 -74.9649 9.90185 15.5396 18.9105 15.8947 -4.29582 TIMING: 4246200 CPU: 13493.7, 0.00318822/step Wall: 13493.7, 0.00318822/step, 0.667578 hours remaining, 237.332031 MB of memory in use. ENERGY: 4246200 3944.6155 20602.7008 14479.2356 243.1627 -203100.9448 2462.1504 0.0000 0.0000 52291.8031 -109077.2769 300.5217 -161369.0799 -108713.1634 299.8915 -51.3738 -25.9933 760542.8461 2.7320 2.6738 PRESSURE: 4246400 -236.847 226.361 -63.3976 226.361 110.266 216.875 -63.3977 216.875 32.208 GPRESSURE: 4246400 -38.1712 91.7803 -130.465 172.598 57.3528 221.299 88.1849 73.1212 -48.3856 PRESSAVG: 4246400 -24.7813 -43.6179 -26.9469 -43.6178 -7.64065 -13.7086 -26.9469 -13.7086 9.55574 GPRESSAVG: 4246400 -24.4313 -43.1986 -27.1938 -44.6882 -7.58541 -12.1009 -27.1583 -13.4932 9.19843 TIMING: 4246400 CPU: 13494.4, 0.00317768/step Wall: 13494.4, 0.00317768/step, 0.665194 hours remaining, 237.332031 MB of memory in use. ENERGY: 4246400 3949.7330 20665.4562 14453.6916 266.1307 -203741.8153 2746.5319 0.0000 0.0000 52319.1529 -109341.1189 300.6789 -161660.2718 -108982.1905 300.0181 -31.4576 -9.7347 761128.9839 -7.6221 -7.6061 PRESSURE: 4246600 -214.405 -65.4274 -100.183 -65.427 83.4294 109.468 -100.183 109.467 188.012 GPRESSURE: 4246600 -129.477 12.5153 -276.997 -115.848 144.269 21.9913 -35.0218 25.8642 114.497 PRESSAVG: 4246600 -21.5669 -23.9013 -12.0671 -23.9013 39.8653 22.3957 -12.0672 22.3956 30.8427 GPRESSAVG: 4246600 -21.0791 -24.1746 -11.8428 -23.5456 40.2369 20.5209 -13.9321 22.8735 30.1121 TIMING: 4246600 CPU: 13495, 0.00315944/step Wall: 13495, 0.00315944/step, 0.661201 hours remaining, 237.332031 MB of memory in use. ENERGY: 4246600 3986.2561 20634.5095 14429.1194 242.6214 -203441.9534 2361.8900 0.0000 0.0000 52407.7434 -109379.8136 301.1880 -161787.5570 -109010.3880 299.5870 19.0122 43.0963 759627.9654 16.3804 16.4233 PRESSURE: 4246800 -35.491 -39.4983 -56.4692 -39.499 -103.592 90.2195 -56.4694 90.2191 -293.847 GPRESSURE: 4246800 12.2728 -27.2905 -143.089 104.475 -97.4541 219.804 0.568003 54.1224 -256.6 PRESSAVG: 4246800 -6.55879 -23.8776 -30.0327 -23.8776 15.1129 19.2117 -30.0328 19.2116 5.27215 GPRESSAVG: 4246800 -7.26467 -23.1259 -32.1859 -22.6577 13.9385 19.7486 -27.8438 19.146 7.35192 TIMING: 4246800 CPU: 13495.6, 0.00314179/step Wall: 13495.6, 0.00314179/step, 0.657333 hours remaining, 237.332031 MB of memory in use. ENERGY: 4246800 4005.6016 20530.6639 14395.6418 252.6451 -203332.2900 2602.2419 0.0000 0.0000 52081.7103 -109463.7856 299.3143 -161545.4958 -109101.2112 299.6976 -144.3102 -113.9270 762105.4633 4.6088 4.6752 PRESSURE: 4247000 -108.189 -75.1589 67.2306 -75.159 -370.695 55.9709 67.2313 55.9701 119.011 GPRESSURE: 4247000 -69.2915 -30.0689 -1.48811 -34.9819 -268.847 37.7414 68.1545 81.5948 86.5658 PRESSAVG: 4247000 41.3601 30.3268 38.5222 30.3269 -48.851 30.4366 38.5222 30.4366 -0.947128 GPRESSAVG: 4247000 40.6002 30.826 38.454 28.7657 -47.3689 31.1974 38.7621 29.9038 -1.42384 TIMING: 4247000 CPU: 13496.3, 0.0031338/step Wall: 13496.3, 0.0031338/step, 0.655486 hours remaining, 237.332031 MB of memory in use. ENERGY: 4247000 4088.2301 20516.2243 14430.6563 245.2157 -203229.0667 2591.1478 0.0000 0.0000 51894.1091 -109463.4834 298.2362 -161357.5925 -109106.5730 299.3032 -119.9574 -83.8576 762523.8278 -2.8127 -2.7308 PRESSURE: 4247200 -88.2837 3.91753 -14.1243 3.91845 370.748 139.184 -14.1228 139.183 49.9429 GPRESSURE: 4247200 -27.997 133.182 50.5789 51.8504 276.24 101.122 -135.236 115.277 157.234 PRESSAVG: 4247200 38.9525 -23.6902 -11.5403 -23.6902 -17.4048 -26.7718 -11.5403 -26.7717 9.47733 GPRESSAVG: 4247200 40.4622 -23.5543 -11.2268 -22.9521 -17.7393 -25.24 -12.9438 -27.6153 8.49113 TIMING: 4247200 CPU: 13496.9, 0.00315009/step Wall: 13496.9, 0.00315009/step, 0.658719 hours remaining, 237.332031 MB of memory in use. ENERGY: 4247200 3983.1062 20581.8418 14425.6689 244.0892 -203429.1671 2630.9059 0.0000 0.0000 52016.9000 -109546.6550 298.9418 -161563.5551 -109195.0401 298.8502 110.8023 135.1589 760353.9541 10.3417 10.4047 PRESSURE: 4247400 -10.0303 -78.7697 149.816 -78.7687 -105.358 -267.481 149.815 -267.48 -251.003 GPRESSURE: 4247400 92.2227 -65.0223 99.5197 -95.6042 -103.875 -199.562 239.136 -143.197 -274.793 PRESSAVG: 4247400 -0.908124 -44.0855 -66.372 -44.0855 14.7091 -27.9021 -66.372 -27.9022 -7.2166 GPRESSAVG: 4247400 -1.1189 -45.4139 -65.4459 -44.5715 15.3584 -29.1768 -66.8603 -27.8323 -7.98713 TIMING: 4247400 CPU: 13497.5, 0.00315661/step Wall: 13497.5, 0.00315661/step, 0.659907 hours remaining, 237.332031 MB of memory in use. ENERGY: 4247400 3882.2070 20385.9326 14464.4813 243.6247 -203191.2619 2546.6542 0.0000 0.0000 52090.8377 -109577.5245 299.3668 -161668.3622 -109212.5411 298.5115 -122.1303 -95.4820 764014.3307 2.1948 2.0841 PRESSURE: 4247600 24.7017 -131.488 -75.4 -131.488 -100.727 -345.163 -75.4001 -345.164 -19.5408 GPRESSURE: 4247600 74.504 -145.284 -72.2592 -120.837 -112.575 -349.9 -120.175 -293.034 43.4008 PRESSAVG: 4247600 36.6999 -60.5772 -7.88752 -60.5771 -18.1826 -46.7755 -7.88755 -46.7755 -0.933698 GPRESSAVG: 4247600 36.1681 -61.7792 -9.49862 -60.1119 -19.0683 -47.0164 -6.87461 -44.9668 0.488968 TIMING: 4247600 CPU: 13498.2, 0.00314704/step Wall: 13498.2, 0.00314704/step, 0.657732 hours remaining, 237.332031 MB of memory in use. ENERGY: 4247600 3926.5236 20311.8816 14418.2210 258.8133 -203558.2699 2777.5132 0.0000 0.0000 51948.2503 -109917.0668 298.5473 -161865.3171 -109546.1442 298.0654 -31.8555 1.7767 762665.6959 5.8612 5.8629 PRESSURE: 4247800 37.0449 -170.561 12.0115 -170.561 110.962 -112.435 12.0106 -112.434 65.868 GPRESSURE: 4247800 92.9215 -133.335 -27.641 -174.815 133.19 -103.545 -0.0551991 -37.9242 58.8756 PRESSAVG: 4247800 -15.9895 -54.2512 -12.4886 -54.2512 -21.1715 -44.7558 -12.4886 -44.7558 3.38823 GPRESSAVG: 4247800 -16.3983 -51.973 -9.9197 -55.7824 -19.5282 -44.7646 -13.7619 -45.907 2.694 TIMING: 4247800 CPU: 13498.8, 0.00314533/step Wall: 13498.8, 0.00314533/step, 0.6572 hours remaining, 237.332031 MB of memory in use. ENERGY: 4247800 4018.7531 20311.2876 14516.7356 236.9123 -203254.6356 2603.2871 0.0000 0.0000 51712.0549 -109855.6050 297.1899 -161567.6599 -109489.6021 298.2630 71.2917 94.9957 762697.8496 -11.2576 -11.0775 PRESSURE: 4248000 -70.7316 21.005 16.6793 21.0045 137.768 156.936 16.6785 156.937 576.297 GPRESSURE: 4248000 80.0054 -12.4096 -72.5725 45.7242 50.2955 169.642 -4.27033 121.706 593.846 PRESSAVG: 4248000 24.531 -21.122 8.81766 -21.122 -47.759 -26.0436 8.81765 -26.0436 -3.95108 GPRESSAVG: 4248000 26.4203 -22.1373 6.18905 -18.0756 -49.0539 -23.6672 10.8931 -28.107 -4.34872 TIMING: 4248000 CPU: 13499.4, 0.00317809/step Wall: 13499.4, 0.00317809/step, 0.663868 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4248000 3989.4365 20415.5051 14441.8843 267.3548 -203727.2175 2846.2140 0.0000 0.0000 51954.2426 -109812.5803 298.5817 -161766.8228 -109437.1291 298.4216 214.4445 241.3823 761662.6357 -9.0597 -8.9941 PRESSURE: 4248200 -35.8799 -229.883 -182.504 -229.883 -255.694 -26.8397 -182.505 -26.8415 132.304 GPRESSURE: 4248200 -5.16568 -163.247 -113.654 -306.24 -218.588 -83.2516 -141.661 27.0224 149.781 PRESSAVG: 4248200 14.0995 -58.5713 18.3835 -58.5713 36.4407 -20.9789 18.3835 -20.9788 -7.98244 GPRESSAVG: 4248200 14.2012 -58.8254 21.4128 -61.4172 36.1482 -23.7775 17.654 -18.0458 -7.44116 TIMING: 4248200 CPU: 13500.1, 0.00318496/step Wall: 13500.1, 0.00318496/step, 0.665126 hours remaining, 237.332031 MB of memory in use. ENERGY: 4248200 3899.4528 20561.9240 14383.4148 229.7417 -203180.2594 2211.0610 0.0000 0.0000 51791.7443 -110102.9207 297.6479 -161894.6650 -109747.7949 297.7940 -53.0899 -24.6573 761004.1221 14.1859 14.3028 LDB: ============= START OF LOAD BALANCING ============== 13512.5 LDB: ============== END OF LOAD BALANCING =============== 13512.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13512.5 LDB: ============= START OF LOAD BALANCING ============== 13512.8 LDB: Largest compute 7075 load 0.034257 is 17.5% of average load 0.196017 LDB: Average compute 0.004387 is 2.2% of average load 0.196017 LDB: TIME 13512.8 LOAD: AVG 0.196017 MAX 0.215058 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 13512.8 LOAD: AVG 0.196017 MAX 0.215058 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.707 MB LDB: TIME 13512.8 LOAD: AVG 0.196017 MAX 0.215058 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.707 MB LDB: ============== END OF LOAD BALANCING =============== 13512.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13512.8 PRESSURE: 4248400 193.955 -25.3757 142.527 -25.3752 -284.57 148.199 142.527 148.2 -84.9903 GPRESSURE: 4248400 212.672 90.1099 110.163 95.6272 -176.045 1.60613 161.41 145.605 -102.573 PRESSAVG: 4248400 27.9655 -75.6956 19.7902 -75.6956 -33.68 -11.0486 19.7902 -11.0486 -9.53644 GPRESSAVG: 4248400 25.8832 -74.8561 18.4695 -73.6849 -32.4166 -10.4609 19.4862 -14.4653 -8.94001 TIMING: 4248400 CPU: 13500.7, 0.00326977/step Wall: 13500.7, 0.00326977/step, 0.682655 hours remaining, 239.691406 MB of memory in use. ENERGY: 4248400 3928.6320 20274.2610 14395.4026 248.9833 -203492.2332 2509.4222 0.0000 0.0000 52116.4642 -110019.0678 299.5140 -162135.5320 -109658.1200 297.5659 -58.5350 -21.9819 761610.3417 -5.0837 -5.1578 PRESSURE: 4248600 -626.183 63.3857 121.263 63.3859 -105.23 64.1081 121.263 64.1075 -148.585 GPRESSURE: 4248600 -512.091 -91.0121 13.9088 -9.85452 -146.385 40.6888 112.1 -22.3837 -156.935 PRESSAVG: 4248600 -33.0632 -25.4148 -22.6699 -25.4147 54.4656 23.4764 -22.6699 23.4764 19.9212 GPRESSAVG: 4248600 -32.445 -24.7688 -25.7732 -25.9511 53.925 24.3799 -20.6384 23.9661 19.2652 TIMING: 4248600 CPU: 13501.3, 0.00315188/step Wall: 13501.3, 0.00315188/step, 0.657867 hours remaining, 239.761719 MB of memory in use. ENERGY: 4248600 3982.7406 20544.5805 14458.7675 227.2984 -203195.9004 2455.1328 0.0000 0.0000 51939.5461 -109587.8345 298.4973 -161527.3806 -109233.9235 298.5289 -293.3329 -271.8036 762329.6825 13.7746 13.5817 PRESSURE: 4248800 -92.8954 -329.857 -163.489 -329.857 -196.805 -219.968 -163.489 -219.969 -273.054 GPRESSURE: 4248800 -48.864 -241.724 -236.565 -301.199 -232.357 -186.024 37.527 -207.433 -180.678 PRESSAVG: 4248800 -46.9086 -41.2619 10.2072 -41.2619 17.5487 -48.06 10.2072 -48.06 -16.483 GPRESSAVG: 4248800 -47.8685 -40.5343 13.2385 -41.2128 17.8918 -47.9913 10.0397 -47.4955 -15.5966 TIMING: 4248800 CPU: 13502, 0.00314291/step Wall: 13502, 0.00314291/step, 0.655821 hours remaining, 239.761719 MB of memory in use. ENERGY: 4248800 4022.4923 20635.0473 14475.9674 231.7815 -203302.4325 2579.3385 0.0000 0.0000 51765.8395 -109591.9659 297.4990 -161357.8054 -109229.8715 299.1071 -187.5849 -153.9662 761417.5061 -15.2810 -15.1911 PRESSURE: 4249000 18.395 -203.951 -37.0758 -203.951 -209.828 -100.956 -37.076 -100.957 -307.064 GPRESSURE: 4249000 -14.0967 -243.954 -36.8023 -307.317 -154.406 -85.4143 23.8218 -149.236 -252.546 PRESSAVG: 4249000 -15.0547 -37.3864 -14.1198 -37.3864 19.5236 -31.1189 -14.1198 -31.1189 3.60699 GPRESSAVG: 4249000 -13.7309 -37.4959 -13.3518 -41.2688 19.4322 -30.5763 -16.8655 -28.9724 2.52729 TIMING: 4249000 CPU: 13502.6, 0.00316389/step Wall: 13502.6, 0.00316389/step, 0.660023 hours remaining, 239.761719 MB of memory in use. ENERGY: 4249000 4030.8411 20474.9845 14439.0165 255.2876 -203338.8303 2610.9914 0.0000 0.0000 51953.0560 -109574.6532 298.5749 -161527.7092 -109218.8355 298.6784 -166.1656 -140.3494 761832.3933 2.6920 2.7429 PRESSURE: 4249200 211.03 -176.403 103.693 -176.403 57.7773 -68.7389 103.694 -68.7395 143.596 GPRESSURE: 4249200 229.768 -136.947 41.9218 -227.328 197.923 -54.1027 -29.9756 -51.5444 71.1322 PRESSAVG: 4249200 3.08974 -70.7165 -53.9683 -70.7165 -23.5706 31.6726 -53.9682 31.6725 -0.332198 GPRESSAVG: 4249200 2.78015 -71.6078 -56.2689 -65.9379 -23.4784 31.5574 -52.0675 28.9791 -0.322633 TIMING: 4249200 CPU: 13503.2, 0.00316393/step Wall: 13503.2, 0.00316393/step, 0.659855 hours remaining, 239.761719 MB of memory in use. ENERGY: 4249200 3946.1166 20631.0884 14449.1475 249.7074 -203276.2470 2700.0462 0.0000 0.0000 51873.1957 -109426.9453 298.1160 -161300.1410 -109072.5521 299.2772 137.4676 166.2742 760257.1046 -6.9377 -7.0070 PRESSURE: 4249400 -216.057 -0.668225 7.28086 -0.66818 -62.9009 -15.7057 7.28059 -15.7063 35.6579 GPRESSURE: 4249400 -254.052 -83.0522 32.3979 -135.143 94.2077 19.9142 -52.0532 -77.0019 -9.37556 PRESSAVG: 4249400 45.9123 -32.5785 21.6598 -32.5786 -31.5071 -26.1197 21.6598 -26.1197 -2.02351 GPRESSAVG: 4249400 45.4686 -31.709 21.4649 -32.7674 -31.8295 -26.2706 20.0332 -25.0069 -1.45081 TIMING: 4249400 CPU: 13503.9, 0.00316059/step Wall: 13503.9, 0.00316059/step, 0.658984 hours remaining, 239.761719 MB of memory in use. ENERGY: 4249400 4034.6079 20565.5476 14424.0760 236.9091 -203147.0945 2528.0713 0.0000 0.0000 52246.2187 -109111.6640 300.2597 -161357.8827 -108755.8805 299.6957 -81.0999 -56.4067 761272.5959 4.1272 4.0628 PRESSURE: 4249600 -425.364 -191.647 54.3125 -191.647 -316.63 -171.13 54.3121 -171.13 164.055 GPRESSURE: 4249600 -324.525 -61.5013 36.0688 -130.733 -272.104 -109.655 105.504 -52.3878 123.069 PRESSAVG: 4249600 19.6948 -15.7467 -3.12284 -15.7467 -50.7516 64.2368 -3.12288 64.2368 -8.116 GPRESSAVG: 4249600 19.7263 -16.1271 -2.38727 -16.1003 -50.7365 64.1329 -1.04979 64.5623 -8.40211 TIMING: 4249600 CPU: 13504.5, 0.00315852/step Wall: 13504.5, 0.00315852/step, 0.658377 hours remaining, 239.761719 MB of memory in use. ENERGY: 4249600 3955.8853 20353.9385 14489.9696 258.2958 -203107.9333 2652.6565 0.0000 0.0000 52141.4478 -109255.7397 299.6576 -161397.1875 -108888.6374 300.2101 -192.6464 -157.8535 761403.7639 -13.0576 -13.1374 PRESSURE: 4249800 90.6018 90.7538 -103.885 90.754 -299.876 -33.7386 -103.885 -33.738 241.131 GPRESSURE: 4249800 25.0767 67.5508 -159.101 -58.2969 -259.079 23.032 -98.1583 -85.6014 333.28 PRESSAVG: 4249800 9.95638 -44.7252 -34.4624 -44.7252 -41.3057 16.2552 -34.4623 16.2552 13.1383 GPRESSAVG: 4249800 11.156 -43.6949 -35.5319 -47.559 -41.3584 16.7192 -35.0651 17.0728 12.1214 TIMING: 4249800 CPU: 13505.1, 0.00317654/step Wall: 13505.1, 0.00317654/step, 0.661957 hours remaining, 239.761719 MB of memory in use. ENERGY: 4249800 4017.5008 20565.2592 14492.0374 237.9169 -203479.5107 2754.9361 0.0000 0.0000 52189.9388 -109221.9215 299.9363 -161411.8603 -108860.2698 299.7509 10.6192 33.0923 760964.8425 -6.0703 -6.0270 PRESSURE: 4250000 -242.277 125.074 -9.99632 125.074 -14.9893 69.9422 -9.99698 69.941 -67.2713 GPRESSURE: 4250000 -286.774 92.6817 -62.2198 -45.8172 27.1975 100.822 24.1145 -30.0408 25.0753 PRESSAVG: 4250000 6.97129 15.3577 -2.41271 15.3577 -15.8574 31.4012 -2.41277 31.4011 19.2038 GPRESSAVG: 4250000 5.57606 13.5976 -1.64392 16.2737 -16.0825 31.2706 -3.4138 32.0731 21.0364 TIMING: 4250000 CPU: 13505.8, 0.00317371/step Wall: 13505.8, 0.00317371/step, 0.66119 hours remaining, 239.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4250000 4010.9477 20541.3176 14471.7916 252.9639 -203166.9253 2532.5464 0.0000 0.0000 52060.8389 -109296.5193 299.1944 -161357.3581 -108926.9498 299.8139 -108.1793 -78.1671 760990.3333 3.4392 3.5100 PRESSURE: 4250200 -124.02 -129.367 109.15 -129.367 247.644 -4.1446 109.149 -4.1452 111.029 GPRESSURE: 4250200 -71.5975 -85.7937 178.142 -88.2021 244.822 22.3321 254.095 -68.3139 152.529 PRESSAVG: 4250200 -39.9584 -27.3526 14.26 -27.3526 73.7431 16.8824 14.26 16.8824 -17.2406 GPRESSAVG: 4250200 -39.6571 -25.1144 13.3387 -27.8794 74.0662 16.7507 16.6732 14.1944 -18.0425 TIMING: 4250200 CPU: 13506.4, 0.00315257/step Wall: 13506.4, 0.00315257/step, 0.65661 hours remaining, 239.761719 MB of memory in use. ENERGY: 4250200 4053.0489 20344.0527 14456.6145 232.2820 -203809.5873 2913.1492 0.0000 0.0000 52359.1885 -109451.2515 300.9090 -161810.4400 -109075.8331 299.0751 78.2178 108.5845 761019.8505 5.5147 5.4555 PRESSURE: 4250400 386.073 -62.4419 -274.894 -62.441 -2.70697 55.9082 -274.894 55.9078 349.188 GPRESSURE: 4250400 453.265 34.1882 -269.063 -77.8177 36.663 160.641 -193.378 -65.8241 326.623 PRESSAVG: 4250400 -6.26518 -12.7627 -21.0706 -12.7627 -36.5237 54.728 -21.0706 54.728 12.1535 GPRESSAVG: 4250400 -6.75805 -11.5652 -20.4514 -12.7002 -36.6213 54.8615 -22.4799 56.3495 12.5747 TIMING: 4250400 CPU: 13507, 0.00314518/step Wall: 13507, 0.00314518/step, 0.654896 hours remaining, 239.761719 MB of memory in use. ENERGY: 4250400 4044.4597 20498.5473 14417.2161 242.1779 -203866.2693 3043.7380 0.0000 0.0000 52202.7232 -109417.4071 300.0098 -161620.1303 -109054.3327 299.1802 244.1847 272.1834 760833.0098 -10.2118 -10.2682 PRESSURE: 4250600 56.6748 -131.429 47.5438 -131.43 -78.4314 -33.6984 47.5431 -33.6988 -211.061 GPRESSURE: 4250600 87.6337 -63.8518 -19.3509 -168.24 47.9485 5.45345 65.7233 -190.143 -259.815 PRESSAVG: 4250600 26.7891 -101.004 -22.72 -101.004 -41.7214 12.094 -22.72 12.094 6.72521 GPRESSAVG: 4250600 28.3595 -102.266 -23.3709 -99.3635 -42.3716 12.0553 -24.4839 11.334 6.59119 TIMING: 4250600 CPU: 13507.7, 0.00314253/step Wall: 13507.7, 0.00314253/step, 0.65417 hours remaining, 239.761719 MB of memory in use. ENERGY: 4250600 4033.2492 20640.0631 14430.5836 232.3211 -203509.8031 2450.7960 0.0000 0.0000 52375.0676 -109347.7225 301.0002 -161722.7901 -108981.6021 300.0901 -77.6059 -41.4111 761388.6342 -2.7357 -2.4736 PRESSURE: 4250800 -430.092 -9.96938 -50.3338 -9.96937 -257.534 178.22 -50.3336 178.221 -423.113 GPRESSURE: 4250800 -431.61 -76.3204 -139.569 -93.424 -162.88 159.166 -81.4735 188.083 -425.252 PRESSAVG: 4250800 -13.4313 -84.0414 2.90538 -84.0415 34.8178 15.026 2.90538 15.026 4.82169 GPRESSAVG: 4250800 -14.9884 -84.889 4.19613 -85.1542 36.4352 14.7687 4.05946 16.0395 4.8749 TIMING: 4250800 CPU: 13508.3, 0.00315338/step Wall: 13508.3, 0.00315338/step, 0.656253 hours remaining, 239.761719 MB of memory in use. ENERGY: 4250800 3951.2482 20767.0714 14544.2321 254.3673 -203237.8096 2348.6276 0.0000 0.0000 52037.8209 -109334.4420 299.0621 -161372.2629 -108977.9045 300.1668 -370.2463 -339.9140 761725.0205 8.7361 8.7739 PRESSURE: 4251000 -324.225 -130.783 -15.9139 -130.782 168.851 -285.936 -15.9136 -285.935 264.018 GPRESSURE: 4251000 -189.488 -163.017 -113.839 -133.452 142.689 -314.577 -113.672 -242.302 251.093 PRESSAVG: 4251000 60.3632 -47.5801 -18.7067 -47.5801 -4.57648 7.13324 -18.7067 7.13324 5.64855 GPRESSAVG: 4251000 58.9545 -48.2766 -21.1666 -47.0785 -4.5639 7.81418 -17.3433 4.82476 6.42513 TIMING: 4251000 CPU: 13508.9, 0.00314745/step Wall: 13508.9, 0.00314745/step, 0.654845 hours remaining, 239.761719 MB of memory in use. ENERGY: 4251000 4011.8121 20592.9629 14424.4817 256.7180 -203464.3782 2816.5277 0.0000 0.0000 51985.7801 -109376.0956 298.7630 -161361.8757 -109024.5075 299.7404 36.2145 68.0981 761425.7734 20.4784 20.2719 PRESSURE: 4251200 278.611 -135.44 5.88048 -135.44 -195.455 -216.084 5.88039 -216.085 3.25108 GPRESSURE: 4251200 302.121 -158.273 51.3079 -117.996 -80.9101 -168.839 78.8908 -142.657 -43.3715 PRESSAVG: 4251200 -20.6962 -40.7547 10.7642 -40.7547 -40.9084 -24.7631 10.7644 -24.7632 -7.0388 GPRESSAVG: 4251200 -19.1346 -40.6983 11.5947 -39.7913 -40.6287 -24.5757 10.4448 -22.6751 -8.27989 TIMING: 4251200 CPU: 13509.5, 0.00314093/step Wall: 13509.5, 0.00314093/step, 0.653313 hours remaining, 239.761719 MB of memory in use. ENERGY: 4251200 3946.4181 20560.0735 14413.3830 251.1691 -203594.2204 2738.5935 0.0000 0.0000 52160.6138 -109523.9695 299.7678 -161684.5833 -109161.0210 299.1451 28.8023 59.2799 760523.9482 -22.8811 -22.6810 PRESSURE: 4251400 86.8175 -120.914 49.3192 -120.914 323.929 202.791 49.3194 202.79 -191.025 GPRESSURE: 4251400 52.9229 35.0763 -104.756 -74.9479 360.575 130.196 99.9292 120.366 -113.824 PRESSAVG: 4251400 -11.7687 -14.5746 0.702852 -14.5746 13.9629 0.661445 0.702856 0.661477 3.00881 GPRESSAVG: 4251400 -11.2982 -12.8891 0.328011 -13.2216 12.4851 1.80603 0.215195 1.67594 4.23433 TIMING: 4251400 CPU: 13510.2, 0.00316234/step Wall: 13510.2, 0.00316234/step, 0.657591 hours remaining, 239.761719 MB of memory in use. ENERGY: 4251400 4047.7275 20596.3229 14390.7905 246.7954 -203537.0620 2677.7666 0.0000 0.0000 52069.4990 -109508.1601 299.2441 -161577.6591 -109147.0697 299.1454 73.2407 99.8912 759674.7781 1.7343 1.8071 PRESSURE: 4251600 153.332 -204.599 87.3521 -204.599 -503.967 95.8709 87.352 95.8707 -272.827 GPRESSURE: 4251600 188.407 -153.704 34.8039 -300.148 -473.544 47.9913 44.0756 50.2205 -254.107 PRESSAVG: 4251600 4.58739 -31.5369 -11.4487 -31.537 -25.943 22.8352 -11.4487 22.8352 -14.429 GPRESSAVG: 4251600 5.49769 -33.1335 -10.1927 -31.9747 -25.3254 20.96 -13.5054 22.4301 -16.2648 TIMING: 4251600 CPU: 13510.8, 0.00315602/step Wall: 13510.8, 0.00315603/step, 0.656103 hours remaining, 239.761719 MB of memory in use. ENERGY: 4251600 4021.2168 20601.5456 14374.2991 241.9085 -203261.4659 2481.5338 0.0000 0.0000 51913.9709 -109626.9911 298.3503 -161540.9621 -109258.9447 298.9678 -207.8208 -179.7480 760272.2850 -11.9282 -12.0308 PRESSURE: 4251800 7.245 -45.7662 -84.598 -45.7661 -77.5721 -213.525 -84.5977 -213.526 261.287 GPRESSURE: 4251800 53.6571 -40.9053 -97.7114 -4.12851 25.6327 -145.016 -113.846 -255.055 186.516 PRESSAVG: 4251800 5.92967 -19.3186 -65.1747 -19.3186 23.4658 17.3599 -65.1747 17.3598 -10.2848 GPRESSAVG: 4251800 4.3165 -19.5721 -65.1797 -20.7675 23.6982 18.1968 -63.9172 18.5484 -9.41263 TIMING: 4251800 CPU: 13511.4, 0.00316116/step Wall: 13511.4, 0.00316116/step, 0.656994 hours remaining, 239.761719 MB of memory in use. ENERGY: 4251800 4018.5833 20519.1911 14436.4173 250.3762 -203463.4230 2524.9457 0.0000 0.0000 52062.4788 -109651.4305 299.2038 -161713.9094 -109297.4637 299.2341 63.6532 88.6019 760833.3368 6.3702 6.2007 PRESSURE: 4252000 -387.906 -2.21029 -13.2856 -2.20989 -585.648 15.9492 -13.2853 15.95 -842.764 GPRESSURE: 4252000 -409.012 -159.082 -110.8 -117.212 -578.784 74.4875 -35.001 -6.54012 -746.308 PRESSAVG: 4252000 -2.4862 -51.6715 -10.8184 -51.6715 31.9579 -12.3575 -10.8183 -12.3575 -4.01364 GPRESSAVG: 4252000 -2.32736 -51.433 -12.1769 -50.3438 31.4976 -12.5175 -10.1203 -13.093 -3.45673 TIMING: 4252000 CPU: 13512.1, 0.00315312/step Wall: 13512.1, 0.00315312/step, 0.655148 hours remaining, 239.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4252000 4086.1417 20559.1512 14461.1891 250.1099 -203208.8221 2078.2639 0.0000 0.0000 51988.4161 -109785.5502 298.7781 -161773.9663 -109415.4053 299.3284 -605.4390 -578.0347 761223.8375 8.4860 8.5712 PRESSURE: 4252200 -226.987 -132.901 71.6604 -132.901 13.2977 -50.1929 71.6617 -50.1912 303.487 GPRESSURE: 4252200 -135.872 -102.079 91.4505 -123.562 -18.0192 3.45388 39.9648 20.4421 338.623 PRESSAVG: 4252200 15.3727 -45.7049 -47.3614 -45.7049 12.4353 17.6493 -47.3614 17.6494 -11.5877 GPRESSAVG: 4252200 14.6654 -45.1241 -45.3968 -46.4612 11.828 18.5453 -47.2659 16.6486 -10.9061 TIMING: 4252200 CPU: 13512.7, 0.00315544/step Wall: 13512.7, 0.00315544/step, 0.655455 hours remaining, 239.761719 MB of memory in use. ENERGY: 4252200 3989.4005 20421.2944 14481.0354 229.9554 -203472.4769 2452.9444 0.0000 0.0000 52007.2924 -109890.5544 298.8866 -161897.8468 -109523.5535 298.6094 29.9325 61.5771 761658.1698 5.4068 5.1958 LDB: ============= START OF LOAD BALANCING ============== 13525.1 LDB: ============== END OF LOAD BALANCING =============== 13525.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13525.1 LDB: ============= START OF LOAD BALANCING ============== 13525.4 LDB: Largest compute 7075 load 0.037333 is 19.0% of average load 0.195986 LDB: Average compute 0.004411 is 2.3% of average load 0.195986 LDB: TIME 13525.4 LOAD: AVG 0.195986 MAX 0.217185 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.074 MB LDB: TIME 13525.4 LOAD: AVG 0.195986 MAX 0.217185 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.277 MB LDB: TIME 13525.4 LOAD: AVG 0.195986 MAX 0.217185 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.277 MB LDB: ============== END OF LOAD BALANCING =============== 13525.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13525.4 PRESSURE: 4252400 -311.529 63.1759 -13.6182 63.1765 56.1772 -74.4881 -13.6188 -74.4872 -147.119 GPRESSURE: 4252400 -289.392 135.206 -28.1872 -55.3646 134.349 -106.307 -98.4472 -165.605 -152.911 PRESSAVG: 4252400 -11.396 2.54593 2.68872 2.54606 8.97541 27.8659 2.68875 27.8659 -12.6241 GPRESSAVG: 4252400 -10.1091 1.69779 0.35184 2.91886 8.95315 27.749 2.49514 29.2338 -13.6404 TIMING: 4252400 CPU: 13513.3, 0.00322363/step Wall: 13513.3, 0.00322363/step, 0.66944 hours remaining, 239.238281 MB of memory in use. ENERGY: 4252400 4019.1525 20381.8946 14494.8554 242.6961 -203189.2202 2394.9228 0.0000 0.0000 51854.6449 -109801.0540 298.0094 -161655.6989 -109437.2749 298.8755 -134.1572 -102.6511 761478.5193 -5.0149 -4.9321 PRESSURE: 4252600 271.077 -61.7071 -205.178 -61.7073 95.762 33.1219 -205.178 33.1225 -24.2336 GPRESSURE: 4252600 212.943 -40.8976 -164.202 -73.1615 269.072 49.2623 -123.589 -63.0738 -47.63 PRESSAVG: 4252600 22.9504 20.5961 -87.7018 20.5961 8.66351 -3.81784 -87.7017 -3.81794 -10.1038 GPRESSAVG: 4252600 21.0632 21.0808 -86.2456 20.5964 8.37433 -3.93847 -88.4287 -5.0399 -8.04472 TIMING: 4252600 CPU: 13514, 0.00317896/step Wall: 13514, 0.00317896/step, 0.659988 hours remaining, 239.238281 MB of memory in use. ENERGY: 4252600 3934.3145 20626.3851 14473.9553 253.3009 -203666.3546 2695.9953 0.0000 0.0000 51960.7705 -109721.6329 298.6193 -161682.4035 -109359.3480 298.6089 114.2016 144.7951 762283.3595 7.1700 7.1309 PRESSURE: 4252800 285.574 49.7303 3.83259 49.7306 -241.799 -30.2485 3.83287 -30.2483 41.986 GPRESSURE: 4252800 263.253 79.0233 -60.2729 164.258 -230.725 -72.8364 65.6114 23.9695 116.938 PRESSAVG: 4252800 -0.263884 -34.0537 -41.4865 -34.0536 31.7458 4.47302 -41.4865 4.47303 -10.4935 GPRESSAVG: 4252800 0.876919 -35.2898 -39.8915 -33.7238 31.5869 4.48893 -41.7882 4.8901 -11.5842 TIMING: 4252800 CPU: 13514.6, 0.0031514/step Wall: 13514.6, 0.0031514/step, 0.65409 hours remaining, 239.238281 MB of memory in use. ENERGY: 4252800 4065.1595 20490.4723 14531.9670 282.7023 -203619.1177 2592.7103 0.0000 0.0000 51999.6017 -109656.5047 298.8424 -161656.1064 -109290.3433 299.1753 28.5871 49.8221 761067.2710 6.9961 6.9599 PRESSURE: 4253000 -156.888 -31.6755 -82.9551 -31.6753 -152.298 -16.9491 -82.9539 -16.9491 -439.188 GPRESSURE: 4253000 -225.893 41.9354 -115.52 8.45567 -24.6233 38.7734 -227.356 102.847 -402.152 PRESSAVG: 4253000 -27.5725 14.4918 41.056 14.4918 33.847 -25.2082 41.056 -25.2083 18.2722 GPRESSAVG: 4253000 -26.412 15.3186 38.6157 15.1102 34.7711 -24.2558 41.6104 -27.0609 16.8519 TIMING: 4253000 CPU: 13515.2, 0.00316853/step Wall: 13515.2, 0.00316853/step, 0.657471 hours remaining, 239.238281 MB of memory in use. ENERGY: 4253000 4061.3749 20452.0579 14509.7324 249.6625 -203352.3387 2371.6400 0.0000 0.0000 52002.2177 -109705.6534 298.8575 -161707.8711 -109339.7149 299.1520 -249.4582 -217.5559 761653.4899 8.1822 8.4037 PRESSURE: 4253200 -270.459 25.0862 -272.288 25.086 -161.86 39.233 -272.288 39.2329 -151.344 GPRESSURE: 4253200 -207.474 61.4247 -216.185 67.7939 -109.473 32.857 -181.859 -1.11056 -177.594 PRESSAVG: 4253200 -54.7041 7.07022 -45.0632 7.07022 46.2007 -0.419 -45.0631 -0.418976 5.93204 GPRESSAVG: 4253200 -54.8995 5.57561 -43.1625 6.04421 46.1348 0.40146 -44.899 -1.08938 6.59238 TIMING: 4253200 CPU: 13515.9, 0.00315929/step Wall: 13515.9, 0.00315929/step, 0.655377 hours remaining, 239.238281 MB of memory in use. ENERGY: 4253200 4046.0458 20574.8531 14418.0045 235.9223 -203689.4734 2797.5296 0.0000 0.0000 51895.5247 -109721.5935 298.2443 -161617.1182 -109362.5763 298.8823 -194.5541 -164.8470 762603.7139 -0.8571 -0.7241 PRESSURE: 4253400 -192.639 0.541688 9.36171 0.541419 -320.711 128.768 9.36155 128.769 71.8602 GPRESSURE: 4253400 -217.335 -98.4676 -18.9301 60.0784 -113.408 214.73 9.00666 41.6014 -34.0765 PRESSAVG: 4253400 -20.6087 -2.92499 54.9295 -2.92501 16.4871 15.4099 54.9295 15.4099 -15.1806 GPRESSAVG: 4253400 -20.8832 -1.25195 53.7259 -4.5045 16.2599 12.123 53.9999 17.7537 -15.2398 TIMING: 4253400 CPU: 13516.5, 0.00315033/step Wall: 13516.5, 0.00315033/step, 0.653344 hours remaining, 239.238281 MB of memory in use. ENERGY: 4253400 3981.5954 20377.5578 14435.0432 236.4095 -203438.1581 2558.8230 0.0000 0.0000 52076.9759 -109771.7533 299.2871 -161848.7292 -109405.4914 298.7075 -147.1634 -121.6066 762021.3984 -6.4341 -6.6211 PRESSURE: 4253600 -182.907 74.4021 36.1031 74.4017 -453.648 1.91064 36.103 1.90978 -51.0094 GPRESSURE: 4253600 -138.853 -60.8453 89.7908 169.067 -358.249 60.9032 62.0289 -7.95119 -80.6323 PRESSAVG: 4253600 -19.0306 18.9445 78.0985 18.9446 27.3823 48.5904 78.0984 48.5904 -7.28606 GPRESSAVG: 4253600 -18.3052 18.9982 78.3229 21.2214 27.6321 50.3531 80.249 46.7213 -8.52702 TIMING: 4253600 CPU: 13517.1, 0.00317345/step Wall: 13517.1, 0.00317345/step, 0.657961 hours remaining, 239.238281 MB of memory in use. ENERGY: 4253600 4072.8929 20501.5299 14472.2566 259.7203 -203707.8391 2397.4043 0.0000 0.0000 52163.8266 -109840.2084 299.7862 -162004.0351 -109485.9717 298.6799 -229.1882 -192.5782 762227.2844 0.3552 0.2666 PRESSURE: 4253800 35.4123 78.0424 -25.6134 78.0422 87.5345 173.706 -25.6134 173.706 1.5213 GPRESSURE: 4253800 54.7731 69.7097 4.04385 -41.6756 141.091 155.664 -34.1801 226.063 51.1376 PRESSAVG: 4253800 1.60998 46.4829 36.5615 46.4828 24.7587 -1.74451 36.5615 -1.7445 -4.08501 GPRESSAVG: 4253800 0.717057 46.3856 37.2602 45.0264 24.8395 -3.75501 33.9352 -0.673217 -2.86215 TIMING: 4253800 CPU: 13517.8, 0.00317735/step Wall: 13517.8, 0.00317735/step, 0.658594 hours remaining, 239.238281 MB of memory in use. ENERGY: 4253800 4018.6728 20334.4306 14523.8502 225.7104 -203565.7281 2568.3512 0.0000 0.0000 51961.2462 -109933.4667 298.6220 -161894.7129 -109570.4543 298.8911 41.4894 82.3338 761172.8941 7.4279 7.5648 PRESSURE: 4254000 -42.3943 140.785 186.981 140.786 102.894 -120.508 186.981 -120.507 331.081 GPRESSURE: 4254000 -6.65337 116.031 215.746 53.8193 205.925 8.82415 171.935 -152.718 255.983 PRESSAVG: 4254000 -3.98871 2.71512 51.3544 2.71512 -4.56562 24.0343 51.3544 24.0342 -0.860072 GPRESSAVG: 4254000 -3.77642 1.50139 51.0462 4.07336 -5.22325 25.8655 53.1276 24.5614 -0.547454 TIMING: 4254000 CPU: 13518.4, 0.00317138/step Wall: 13518.4, 0.00317138/step, 0.657181 hours remaining, 239.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4254000 3941.6633 20428.7767 14471.6985 240.6795 -203655.2881 2589.8023 0.0000 0.0000 52139.9625 -109842.7053 299.6491 -161982.6678 -109472.5482 298.7968 130.5267 151.7515 759340.5278 -3.1381 -3.1824 PRESSURE: 4254200 -229.834 -231.392 -71.8743 -231.392 111.765 221.099 -71.8734 221.101 37.6939 GPRESSURE: 4254200 -176.23 -159.136 -73.5703 -114.833 126.44 236.873 26.6104 92.0454 35.7758 PRESSAVG: 4254200 21.0373 -36.1843 56.008 -36.1844 -26.6166 17.7855 56.008 17.7855 8.60352 GPRESSAVG: 4254200 20.1532 -33.6687 55.531 -35.9091 -25.6465 17.2454 55.3294 16.9865 8.29017 TIMING: 4254200 CPU: 13519, 0.00315763/step Wall: 13519, 0.00315763/step, 0.654155 hours remaining, 239.238281 MB of memory in use. ENERGY: 4254200 4063.6874 20519.3862 14435.1849 241.0943 -203934.4856 2701.6056 0.0000 0.0000 52002.9663 -109970.5609 298.8618 -161973.5271 -109610.9280 298.8816 -26.7916 -4.6716 759214.0894 1.0081 0.9323 PRESSURE: 4254400 12.7031 -175.257 -15.5338 -175.256 -293.143 -198.817 -15.5338 -198.817 -193.877 GPRESSURE: 4254400 41.5196 -9.12524 -29.7276 -332.463 -199.203 -161.246 -118.885 -210.323 -218.778 PRESSAVG: 4254400 -6.67929 -21.7993 16.7504 -21.7992 24.1382 -46.6218 16.7504 -46.6218 -24.7731 GPRESSAVG: 4254400 -5.13004 -22.9019 17.4886 -22.1434 23.2574 -46.2981 16.8395 -47.1811 -25.2243 TIMING: 4254400 CPU: 13519.7, 0.00314875/step Wall: 13519.7, 0.00314875/step, 0.652142 hours remaining, 239.238281 MB of memory in use. ENERGY: 4254400 4016.1564 20319.3810 14521.9379 239.9374 -203818.9930 2572.4075 0.0000 0.0000 52039.9853 -110109.1875 299.0745 -162149.1728 -109742.7254 298.4256 -158.1057 -125.4871 760402.0393 -2.4381 -2.3656 PRESSURE: 4254600 -130.268 6.30332 -63.3291 6.30299 -142.5 -181.83 -63.3291 -181.83 -37.9783 GPRESSURE: 4254600 -94.4427 23.2005 -135.387 35.612 -46.2024 -207.784 -129.529 -96.714 -80.8643 PRESSAVG: 4254600 -9.7313 -48.9362 -77.4331 -48.9361 25.8749 -27.3014 -77.4331 -27.3014 6.36783 GPRESSAVG: 4254600 -10.7754 -46.9554 -77.938 -48.7631 26.088 -28.4879 -77.9021 -25.8737 7.25403 TIMING: 4254600 CPU: 13520.3, 0.00313877/step Wall: 13520.3, 0.00313877/step, 0.649899 hours remaining, 239.238281 MB of memory in use. ENERGY: 4254600 3999.1794 20305.6446 14474.4305 230.5295 -203591.2299 2635.4164 0.0000 0.0000 51859.8723 -110086.1573 298.0394 -161946.0296 -109724.4989 298.0824 -103.5820 -73.8365 762734.5639 7.5038 7.5222 PRESSURE: 4254800 -45.1343 10.2721 98.9211 10.2716 -171.235 6.02754 98.9203 6.02765 214.177 GPRESSURE: 4254800 21.2807 219.004 100.932 16.6672 -192.157 -95.7601 45.797 -8.85199 262.103 PRESSAVG: 4254800 14.4587 -23.3515 -4.92645 -23.3515 12.2338 19.7545 -4.92642 19.7546 -11.3728 GPRESSAVG: 4254800 15.3174 -23.7809 -4.17167 -25.2201 12.4088 20.2895 -5.34703 19.1889 -11.9233 TIMING: 4254800 CPU: 13520.9, 0.00313339/step Wall: 13520.9, 0.00313339/step, 0.648612 hours remaining, 239.238281 MB of memory in use. ENERGY: 4254800 3995.2215 20412.1825 14404.5537 233.9921 -203321.7263 2447.8476 0.0000 0.0000 52001.2720 -109826.6569 298.8520 -161827.9288 -109461.6768 298.2463 -0.7308 30.4088 762240.3276 5.1066 5.2676 PRESSURE: 4255000 112.769 197.794 -3.85313 197.794 -45.0242 -149.591 -3.85262 -149.591 154.14 GPRESSURE: 4255000 92.5203 111.942 -27.4916 124.38 19.3595 -136.235 -29.7499 -160.685 185.989 PRESSAVG: 4255000 31.9282 -24.4139 10.7532 -24.4139 -8.42521 -21.8755 10.7532 -21.8755 -14.449 GPRESSAVG: 4255000 31.0663 -26.1826 9.67754 -21.3295 -7.87301 -21.7447 11.0545 -23.9677 -14.7903 TIMING: 4255000 CPU: 13521.6, 0.00314155/step Wall: 13521.6, 0.00314155/step, 0.650127 hours remaining, 239.238281 MB of memory in use. ENERGY: 4255000 3949.4342 20558.0441 14480.7552 254.0588 -203405.8822 2491.7424 0.0000 0.0000 52118.4147 -109553.4328 299.5252 -161671.8475 -109189.2559 298.6749 73.9616 99.2897 762093.6270 3.0180 2.8010 PRESSURE: 4255200 -17.1688 268.051 87.2441 268.051 215.827 -142.437 87.2432 -142.437 119.73 GPRESSURE: 4255200 41.7303 147.487 65.5641 271.983 138.186 -7.75195 36.5432 -140.645 202.053 PRESSAVG: 4255200 56.5 -20.2837 47.4067 -20.2837 -3.41088 -5.84962 47.4067 -5.84964 -0.337335 GPRESSAVG: 4255200 57.0046 -19.2677 46.758 -22.085 -4.41313 -5.78425 47.1561 -2.69793 0.148396 TIMING: 4255200 CPU: 13522.2, 0.00316256/step Wall: 13522.2, 0.00316256/step, 0.654298 hours remaining, 239.238281 MB of memory in use. ENERGY: 4255200 3966.2432 20593.2552 14483.3493 229.6489 -203516.7963 2649.8494 0.0000 0.0000 52052.3091 -109542.1411 299.1453 -161594.4502 -109187.1513 299.4012 106.1292 127.3231 762366.3387 17.5839 17.5800 PRESSURE: 4255400 -275.353 16.907 -71.1977 16.9067 113.033 -6.64725 -71.1965 -6.64655 261.288 GPRESSURE: 4255400 -146.249 19.622 -45.3056 44.9872 84.9583 2.7464 -93.6078 -163.207 244.081 PRESSAVG: 4255400 -14.1665 -9.13736 -1.07732 -9.13735 -6.89466 -2.08159 -1.07728 -2.08149 -3.1732 GPRESSAVG: 4255400 -14.5072 -10.5933 -0.901333 -6.897 -6.85238 -1.45744 0.242084 -4.73682 -3.47717 TIMING: 4255400 CPU: 13522.8, 0.00318961/step Wall: 13522.8, 0.00318961/step, 0.659717 hours remaining, 239.238281 MB of memory in use. ENERGY: 4255400 3957.0145 20510.8794 14449.9666 245.7167 -203355.6125 2566.9584 0.0000 0.0000 52029.7249 -109595.3520 299.0155 -161625.0769 -109242.9852 299.0771 32.9890 60.9304 762119.4033 -8.0781 -8.2789 PRESSURE: 4255600 46.7361 -49.7238 11.1844 -49.7234 -154.13 -53.4965 11.1841 -53.4973 103.331 GPRESSURE: 4255600 76.8475 -168.694 68.2053 46.4316 -101.968 -76.1265 -80.9706 -85.4804 104.631 PRESSAVG: 4255600 -31.625 -19.3712 6.34087 -19.3712 17.2528 -39.1379 6.34086 -39.1379 3.3939 GPRESSAVG: 4255600 -30.946 -19.108 7.25944 -20.5007 17.4089 -39.6801 5.26811 -35.9381 2.77216 TIMING: 4255600 CPU: 13523.5, 0.00315897/step Wall: 13523.5, 0.00315897/step, 0.653205 hours remaining, 239.238281 MB of memory in use. ENERGY: 4255600 3980.4721 20556.4695 14418.2426 233.2996 -203671.1633 2818.2941 0.0000 0.0000 51890.3399 -109774.0455 298.2145 -161664.3854 -109414.4900 298.6358 -1.3545 26.5036 762394.4359 -3.6594 -3.5883 PRESSURE: 4255800 -440.067 2.87292 37.8357 2.87176 -193.079 7.23954 37.835 7.23936 -241.063 GPRESSURE: 4255800 -400.785 63.5935 -9.42233 -113.52 -140.022 33.5409 77.7103 -95.156 -244.012 PRESSAVG: 4255800 -54.9819 -33.5444 64.7962 -33.5445 46.0199 -20.1927 64.7961 -20.1927 5.7804 GPRESSAVG: 4255800 -54.6042 -33.5783 64.5616 -33.9471 44.9058 -21.4641 65.1166 -22.1114 6.32184 TIMING: 4255800 CPU: 13524.1, 0.00316088/step Wall: 13524.1, 0.00316088/step, 0.653424 hours remaining, 239.238281 MB of memory in use. ENERGY: 4255800 3979.1703 20507.3816 14430.0023 244.8742 -203300.5010 2374.3293 0.0000 0.0000 51907.2679 -109857.4754 298.3118 -161764.7433 -109499.8841 298.3183 -291.4028 -261.6064 760864.3791 -1.0605 -1.1255 PRESSURE: 4256000 25.9901 211.058 118.099 211.058 72.5856 268.638 118.099 268.638 120.11 GPRESSURE: 4256000 80.579 146.621 195.521 151.225 98.6696 270.38 2.18134 148.264 115.935 PRESSAVG: 4256000 -13.6393 -21.73 0.386924 -21.73 -10.6381 -12.3366 0.386899 -12.3366 -36.1876 GPRESSAVG: 4256000 -12.6311 -20.6653 -0.872049 -20.963 -10.5533 -10.6949 3.12193 -11.0375 -36.9853 TIMING: 4256000 CPU: 13524.7, 0.00316532/step Wall: 13524.7, 0.00316532/step, 0.654165 hours remaining, 239.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4256000 3944.3503 20473.9551 14405.9336 256.1577 -203791.3685 2986.5980 0.0000 0.0000 51836.9763 -109887.3975 297.9078 -161724.3738 -109526.3133 298.1038 72.8953 98.3944 761740.6364 -20.1550 -20.0565 PRESSURE: 4256200 293.666 -60.6738 285.149 -60.673 171.588 -51.1887 285.147 -51.1874 -77.6119 GPRESSURE: 4256200 265.447 -22.9743 144.601 -29.8462 252.394 -26.0935 223.935 -10.3211 -47.1615 PRESSAVG: 4256200 -2.41007 14.7385 91.2219 14.7385 23.8539 -2.81146 91.2219 -2.81143 -24.013 GPRESSAVG: 4256200 -4.16869 14.1374 91.3142 13.7825 24.0266 -5.15006 89.8011 -3.28172 -22.8565 TIMING: 4256200 CPU: 13525.4, 0.00315662/step Wall: 13525.4, 0.00315662/step, 0.652193 hours remaining, 239.238281 MB of memory in use. ENERGY: 4256200 4052.2720 20494.0682 14356.7455 264.0449 -203267.8164 2467.0142 0.0000 0.0000 51987.0139 -109646.6576 298.7701 -161633.6716 -109284.1853 298.4765 129.2143 156.8932 761483.0075 -0.8564 -0.9995 LDB: ============= START OF LOAD BALANCING ============== 13537.7 LDB: ============== END OF LOAD BALANCING =============== 13537.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13537.8 LDB: ============= START OF LOAD BALANCING ============== 13538.1 LDB: Largest compute 7067 load 0.033373 is 17.0% of average load 0.196143 LDB: Average compute 0.004396 is 2.2% of average load 0.196143 LDB: TIME 13538.1 LOAD: AVG 0.196143 MAX 0.218031 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 13538.1 LOAD: AVG 0.196143 MAX 0.218031 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: TIME 13538.1 LOAD: AVG 0.196143 MAX 0.218031 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: ============== END OF LOAD BALANCING =============== 13538.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13538.1 PRESSURE: 4256400 440.82 26.286 -55.0781 26.2864 260.036 -270.324 -55.0771 -270.323 222.44 GPRESSURE: 4256400 493.297 -89.5972 -117.675 -27.131 254.865 -291.56 -67.8124 -243.424 267.732 PRESSAVG: 4256400 34.476 8.20559 42.8932 8.20551 -32.513 -3.50714 42.8932 -3.50713 16.352 GPRESSAVG: 4256400 33.4512 8.80616 42.4491 8.7801 -31.3982 -2.98569 41.3409 -4.42744 16.3528 TIMING: 4256400 CPU: 13526, 0.00321019/step Wall: 13526, 0.00321019/step, 0.663082 hours remaining, 238.152344 MB of memory in use. ENERGY: 4256400 4073.9074 20426.5925 14463.3653 231.7341 -204023.9175 3315.6983 0.0000 0.0000 52044.7833 -109467.8366 299.1021 -161512.6199 -109103.4978 298.8515 307.7651 338.6315 760750.1936 6.1050 6.1353 PRESSURE: 4256600 43.17 138.921 82.183 138.921 214.669 -82.7182 82.1838 -82.7186 69.6272 GPRESSURE: 4256600 72.0453 48.5074 128.039 100.286 236.593 -82.4404 53.4534 -57.2979 110.481 PRESSAVG: 4256600 -15.4199 12.3561 28.8234 12.3561 11.3301 38.2985 28.8235 38.2985 4.23964 GPRESSAVG: 4256600 -13.6487 10.7035 30.3638 12.1015 9.81884 39.4701 29.6957 37.3988 3.78462 TIMING: 4256600 CPU: 13526.6, 0.00314281/step Wall: 13526.6, 0.00314281/step, 0.64899 hours remaining, 238.355469 MB of memory in use. ENERGY: 4256600 3986.5700 20430.5781 14383.0760 253.7038 -203646.6805 2925.4703 0.0000 0.0000 52154.8921 -109512.3902 299.7349 -161667.2823 -109154.3358 298.9743 109.1552 139.7065 759976.2020 0.0500 -0.0151 PRESSURE: 4256800 -61.0865 210.403 79.8422 210.404 -64.3763 76.1887 79.8424 76.1888 242.192 GPRESSURE: 4256800 79.5228 207.497 72.2923 203.741 -105.295 -12.866 75.587 120.958 222.848 PRESSAVG: 4256800 61.3426 -4.55764 71.695 -4.55762 -0.602714 25.9464 71.695 25.9464 -6.1017 GPRESSAVG: 4256800 61.6484 -3.34016 70.9202 -3.48889 -1.16263 25.0295 70.5196 28.0961 -5.73599 TIMING: 4256800 CPU: 13527.2, 0.00313341/step Wall: 13527.2, 0.00313341/step, 0.646875 hours remaining, 238.355469 MB of memory in use. ENERGY: 4256800 4001.8945 20541.1115 14378.1625 226.7260 -203426.6180 2766.7713 0.0000 0.0000 51965.1705 -109546.7818 298.6445 -161511.9523 -109184.5791 298.9633 38.9097 65.6922 761016.9264 18.2127 18.2499 PRESSURE: 4257000 -20.1036 -27.6701 440.316 -27.6696 -30.6183 251.092 440.316 251.092 -6.84095 GPRESSURE: 4257000 48.4226 17.8384 346.156 101.785 -18.5023 294.92 317.603 214.59 -5.48105 PRESSAVG: 4257000 44.9473 4.60476 15.1742 4.60473 -53.8071 42.84 15.1742 42.8399 -8.11026 GPRESSAVG: 4257000 44.6227 6.38017 14.8477 4.61934 -52.6489 44.3082 16.4738 41.4618 -8.50697 TIMING: 4257000 CPU: 13527.9, 0.00314527/step Wall: 13527.9, 0.00314527/step, 0.64915 hours remaining, 238.355469 MB of memory in use. ENERGY: 4257000 4043.1391 20607.2586 14347.0572 258.9213 -203406.6844 2685.9034 0.0000 0.0000 52113.7689 -109350.6357 299.4985 -161464.4046 -109001.8344 299.5317 -19.1876 8.1464 762321.5152 -5.6567 -5.5111 PRESSURE: 4257200 37.9454 -49.3791 141.612 -49.3791 -272.141 225.623 141.611 225.623 62.1708 GPRESSURE: 4257200 -15.5427 -23.0855 110.588 -132.431 -172.175 236.302 212.937 210.809 99.3659 PRESSAVG: 4257200 14.76 -37.7982 16.0954 -37.7982 -82.4294 -7.0707 16.0954 -7.07072 10.7201 GPRESSAVG: 4257200 14.5361 -39.4133 17.2252 -36.9732 -81.4165 -6.92088 15.8406 -7.03244 10.2399 TIMING: 4257200 CPU: 13528.5, 0.00313233/step Wall: 13528.5, 0.00313233/step, 0.646303 hours remaining, 238.355469 MB of memory in use. ENERGY: 4257200 3968.9336 20674.4253 14429.4971 234.2616 -203108.7507 2368.6998 0.0000 0.0000 52010.7464 -109422.1868 298.9065 -161432.9332 -109068.1892 299.6448 -57.3416 -29.4505 761138.2573 -18.9831 -18.8801 PRESSURE: 4257400 -372.894 5.0731 -97.8367 5.07366 -67.1043 89.7696 -97.8371 89.7696 -162.969 GPRESSURE: 4257400 -336.864 52.6437 -99.6182 22.3097 -75.7686 14.5884 -20.3321 44.7635 -95.715 PRESSAVG: 4257400 7.7788 17.1121 26.2001 17.1121 -4.04122 -25.7098 26.2 -25.7098 13.8975 GPRESSAVG: 4257400 8.74601 16.1667 24.0271 17.0105 -6.28972 -27.9888 27.0173 -25.8318 15.2033 TIMING: 4257400 CPU: 13529.1, 0.00313661/step Wall: 13529.1, 0.00313661/step, 0.647013 hours remaining, 238.355469 MB of memory in use. ENERGY: 4257400 3997.5728 20554.4027 14355.6575 266.1600 -203295.8742 2550.4028 0.0000 0.0000 51896.3459 -109675.3325 298.2490 -161571.6784 -109316.6945 299.2308 -200.9889 -169.4494 762622.7051 5.8784 5.8865 PRESSURE: 4257600 125.634 58.994 -6.76967 58.994 -172.184 8.10142 -6.76895 8.10212 151.434 GPRESSURE: 4257600 143.441 -114.389 -65.236 99.5734 -114.738 65.9275 -53.8702 -143.771 165.05 PRESSAVG: 4257600 33.9619 43.3503 30.4985 43.3503 -47.189 -39.9467 30.4985 -39.9466 -24.7385 GPRESSAVG: 4257600 33.1629 43.6911 29.652 42.2905 -45.9629 -40.6595 31.5102 -39.7496 -25.2262 TIMING: 4257600 CPU: 13529.8, 0.00313021/step Wall: 13529.8, 0.00313021/step, 0.645518 hours remaining, 238.355469 MB of memory in use. ENERGY: 4257600 4008.3745 20517.2110 14433.2224 234.0848 -203554.7775 2678.0404 0.0000 0.0000 51906.3151 -109777.5293 298.3063 -161683.8444 -109415.7351 299.0108 34.9615 64.5841 760800.7555 -12.6552 -12.6754 PRESSURE: 4257800 -145.254 -111.886 -333.388 -111.885 38.4009 -140.588 -333.387 -140.587 120.068 GPRESSURE: 4257800 -103.991 -12.832 -280.009 -98.8279 3.81566 -83.12 -224.019 -130.326 188.329 PRESSAVG: 4257800 10.6681 -18.5524 -6.15708 -18.5524 -10.3841 17.8701 -6.15707 17.8701 -15.3512 GPRESSAVG: 4257800 9.57198 -18.8729 -3.71021 -18.24 -10.259 18.9711 -8.70793 18.6237 -14.569 TIMING: 4257800 CPU: 13530.4, 0.00314063/step Wall: 13530.4, 0.00314063/step, 0.647493 hours remaining, 238.355469 MB of memory in use. ENERGY: 4257800 4016.9352 20381.2169 14471.8725 245.6259 -203670.0199 2621.6345 0.0000 0.0000 52119.5113 -109813.2237 299.5315 -161932.7350 -109444.4539 298.7499 4.4047 29.3847 760426.0190 -5.0224 -5.0853 PRESSURE: 4258000 103.78 -36.2911 -285.466 -36.2906 -34.8501 327.575 -285.466 327.574 153.337 GPRESSURE: 4258000 177.162 -21.258 -310.958 72.9335 -6.70477 375.58 -274.207 55.4943 157.152 PRESSAVG: 4258000 -14.0657 32.4777 -49.3047 32.4777 -16.8874 -3.12448 -49.3046 -3.1245 9.62276 GPRESSAVG: 4258000 -12.946 32.3906 -49.1274 33.0196 -16.7031 -3.25469 -46.7478 -2.90383 8.32964 TIMING: 4258000 CPU: 13531, 0.00315792/step Wall: 13531, 0.00315792/step, 0.650883 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4258000 3971.7484 20503.3191 14440.9799 255.1151 -203760.5814 2689.0160 0.0000 0.0000 51915.4966 -109984.9063 298.3591 -161900.4029 -109620.7308 298.8537 74.0889 109.2030 759532.2196 -7.1101 -7.1065 PRESSURE: 4258200 -146.55 -8.12206 28.7509 -8.12188 -215.247 -28.9081 28.7507 -28.9075 -31.9498 GPRESSURE: 4258200 -192.787 2.19056 32.3646 -31.604 -161.858 68.8871 86.873 3.74158 48.5123 PRESSAVG: 4258200 95.8005 6.55827 -34.2755 6.55831 -56.2094 -11.3152 -34.2756 -11.3152 -20.6193 GPRESSAVG: 4258200 94.7127 7.30868 -33.7246 6.37136 -55.4898 -11.3885 -37.9016 -10.3926 -19.8166 TIMING: 4258200 CPU: 13531.6, 0.00314423/step Wall: 13531.6, 0.00314423/step, 0.647887 hours remaining, 238.355469 MB of memory in use. ENERGY: 4258200 4058.2407 20528.1269 14475.0214 230.8330 -203523.5593 2288.8318 0.0000 0.0000 51886.0833 -110056.4222 298.1900 -161942.5055 -109686.5060 298.5686 -131.2490 -102.0442 760254.3961 6.3239 6.4688 PRESSURE: 4258400 291.388 60.3101 -354.983 60.3109 -9.84931 -48.2169 -354.983 -48.2171 203.951 GPRESSURE: 4258400 344.151 -65.6715 -394.278 15.7745 -31.7943 -125.662 -347.96 -35.5776 257.009 PRESSAVG: 4258400 42.3587 11.6121 -18.6405 11.6121 -23.3149 -20.2198 -18.6405 -20.2198 17.0973 GPRESSAVG: 4258400 44.7144 12.5442 -18.764 9.42624 -25.534 -18.4348 -17.4089 -21.9282 17.257 TIMING: 4258400 CPU: 13532.3, 0.00313859/step Wall: 13532.3, 0.00313859/step, 0.646549 hours remaining, 238.355469 MB of memory in use. ENERGY: 4258400 3959.4344 20641.4939 14542.8838 249.6533 -203859.3941 2843.5692 0.0000 0.0000 51455.5131 -110166.8465 295.7155 -161622.3596 -109816.4670 297.6773 161.8298 189.7885 759854.3468 12.0470 12.1458 PRESSURE: 4258600 -22.4509 -101.564 151.037 -101.564 327.282 146.427 151.037 146.427 114.565 GPRESSURE: 4258600 49.082 -142.743 179.701 -192.676 338.416 128.915 184.988 122.674 110.003 PRESSAVG: 4258600 -32.2402 -16.574 -78.7644 -16.574 15.2067 -37.8015 -78.7645 -37.8014 -12.0831 GPRESSAVG: 4258600 -32.4907 -17.1773 -79.3213 -15.6441 16.0582 -38.6513 -78.3059 -38.459 -12.7698 TIMING: 4258600 CPU: 13532.9, 0.00313594/step Wall: 13532.9, 0.00313594/step, 0.645829 hours remaining, 238.355469 MB of memory in use. ENERGY: 4258600 3960.0199 20304.3098 14404.0401 239.8158 -204035.3898 2896.6565 0.0000 0.0000 52102.7159 -110127.8318 299.4350 -162230.5477 -109754.3879 297.6323 139.7987 165.8335 761353.9009 -9.7056 -9.7341 PRESSURE: 4258800 43.977 8.98096 -324.311 8.9808 -47.8502 -97.5738 -324.311 -97.5737 1.84787 GPRESSURE: 4258800 48.2552 -65.4822 -269.694 35.2169 40.0168 -51.1903 -235.922 -98.9727 -0.219251 PRESSAVG: 4258800 8.32029 -14.2103 -37.0733 -14.2103 -32.5401 -29.06 -37.0733 -29.0599 -6.68265 GPRESSAVG: 4258800 7.17597 -14.6373 -37.2414 -14.4818 -31.4633 -28.5433 -37.087 -27.5249 -6.57827 TIMING: 4258800 CPU: 13533.5, 0.0031587/step Wall: 13533.5, 0.0031587/step, 0.650342 hours remaining, 238.355469 MB of memory in use. ENERGY: 4258800 4043.3126 20391.0032 14472.3364 260.6832 -203877.0569 2758.9199 0.0000 0.0000 51962.0537 -109988.7478 298.6266 -161950.8015 -109623.6869 297.6953 -0.6751 29.3509 760024.6177 -10.3008 -10.2885 PRESSURE: 4259000 -186.472 -111.014 254.363 -111.013 -53.1664 -94.4739 254.363 -94.4741 -202.179 GPRESSURE: 4259000 -117.019 -137.48 170.744 -176.528 -120.687 -37.2102 67.5771 -4.09027 -123.213 PRESSAVG: 4259000 46.8695 -5.70128 -78.6462 -5.7013 -57.8496 -45.6119 -78.6462 -45.6119 -14.9321 GPRESSAVG: 4259000 47.3414 -6.45704 -79.6362 -6.23682 -59.9991 -45.3176 -77.5815 -47.5177 -14.0588 TIMING: 4259000 CPU: 13534.2, 0.00315891/step Wall: 13534.2, 0.00315891/step, 0.650209 hours remaining, 238.355469 MB of memory in use. ENERGY: 4259000 4051.0373 20605.5896 14451.7806 265.7669 -203895.5482 2651.2512 0.0000 0.0000 52129.9294 -109740.1933 299.5914 -161870.1226 -109377.6738 298.4320 -147.2725 -120.3063 762077.6410 -8.6374 -8.9055 PRESSURE: 4259200 -43.3059 -88.6934 45.6588 -88.6929 -56.9498 117.914 45.6596 117.914 -78.8472 GPRESSURE: 4259200 -67.8295 -37.3897 -13.1867 -118.17 88.1855 118.848 87.5996 63.1333 -110.317 PRESSAVG: 4259200 13.5582 -48.1025 -17.718 -48.1025 -3.69495 -20.642 -17.7179 -20.642 17.3409 GPRESSAVG: 4259200 12.3054 -47.2351 -17.4257 -46.8773 -2.51389 -18.5967 -18.0352 -20.5493 17.0783 TIMING: 4259200 CPU: 13534.8, 0.00316582/step Wall: 13534.8, 0.00316582/step, 0.651455 hours remaining, 238.355469 MB of memory in use. ENERGY: 4259200 3977.8213 20559.9701 14439.6085 246.1634 -204033.7676 2874.2503 0.0000 0.0000 52190.0359 -109745.9180 299.9369 -161935.9540 -109382.2060 299.4532 -59.7010 -29.9871 760093.4571 9.0680 8.9566 PRESSURE: 4259400 -412.507 -32.7514 -16.1061 -32.7514 -365.343 -86.5148 -16.1054 -86.5147 -627.163 GPRESSURE: 4259400 -392.967 -83.9585 41.9668 11.1406 -355.447 -202.735 -7.70472 -112.412 -565.205 PRESSAVG: 4259400 -5.95137 -15.1975 -9.28881 -15.1975 -1.6509 -26.7502 -9.28884 -26.7502 22.5861 GPRESSAVG: 4259400 -4.6432 -17.867 -9.08194 -14.7374 -1.57045 -28.6372 -8.48856 -23.2497 21.475 TIMING: 4259400 CPU: 13535.4, 0.00318029/step Wall: 13535.4, 0.00318029/step, 0.654257 hours remaining, 238.355469 MB of memory in use. ENERGY: 4259400 3972.4791 20642.6478 14438.4405 248.4815 -203578.2263 2257.8565 0.0000 0.0000 52155.7988 -109862.5220 299.7401 -162018.3208 -109499.1590 299.0191 -468.3376 -437.8731 760456.7425 4.9946 5.0871 PRESSURE: 4259600 250.786 134.262 160.659 134.263 212.182 262.157 160.66 262.158 17.3732 GPRESSURE: 4259600 265.96 114.229 121.937 162.512 267.825 210.775 141.25 227.48 12.8116 PRESSAVG: 4259600 7.90997 -9.36491 -5.61125 -9.36487 -14.6899 43.7901 -5.61124 43.7901 15.3517 GPRESSAVG: 4259600 6.88786 -6.87062 -4.32307 -9.89179 -15.4237 44.0904 -7.2544 41.3204 16.0544 TIMING: 4259600 CPU: 13536.1, 0.00315649/step Wall: 13536.1, 0.00315649/step, 0.649185 hours remaining, 238.355469 MB of memory in use. ENERGY: 4259600 3960.5839 20603.3261 14435.0196 249.9396 -204055.7720 2898.3617 0.0000 0.0000 51982.0572 -109926.4839 298.7416 -161908.5411 -109566.9564 298.4233 160.1137 182.1988 760601.5551 2.8572 2.5062 PRESSURE: 4259800 394.598 -117.605 14.2156 -117.605 -176.36 140.842 14.216 140.841 107.119 GPRESSURE: 4259800 259.507 -202.205 52.0509 -28.1567 -2.35497 122.428 -21.8945 43.424 162.074 PRESSAVG: 4259800 57.2856 3.17228 62.4204 3.1723 -78.3574 21.1762 62.4205 21.1762 -9.53766 GPRESSAVG: 4259800 56.2314 1.21971 60.8008 5.64155 -79.3824 19.8007 62.3559 20.8811 -7.72625 TIMING: 4259800 CPU: 13536.7, 0.00316827/step Wall: 13536.7, 0.00316827/step, 0.651432 hours remaining, 238.355469 MB of memory in use. ENERGY: 4259800 4001.9991 20553.5015 14408.0143 233.5413 -203704.4008 2855.3775 0.0000 0.0000 51766.5421 -109885.4249 297.5030 -161651.9671 -109532.0981 298.8682 108.4524 139.7420 759591.2749 -10.2032 -10.2924 PRESSURE: 4260000 -107.695 -50.2498 -64.974 -50.2501 -164.974 -44.8295 -64.9739 -44.8296 -165.285 GPRESSURE: 4260000 -32.4644 -91.2789 -44.235 7.16284 -195.143 -76.1286 108.496 37.3174 -138.36 PRESSAVG: 4260000 27.4824 -1.77868 -32.7592 -1.77876 -53.4993 -55.3369 -32.7592 -55.3369 13.5853 GPRESSAVG: 4260000 29.6355 -1.29478 -32.0609 -3.77755 -52.9798 -52.9644 -32.132 -52.6046 10.5604 TIMING: 4260000 CPU: 13537.3, 0.00321072/step Wall: 13537.3, 0.00321072/step, 0.659982 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4260000 4102.9365 20560.1796 14432.9629 233.7160 -203522.3991 2501.8921 0.0000 0.0000 51653.3021 -110037.4099 296.8522 -161690.7120 -109683.6687 298.5604 -145.9846 -121.9889 761487.9257 -4.1439 -4.2613 PRESSURE: 4260200 -452.905 -85.7877 -44.5241 -85.7879 -372.279 -21.8874 -44.5239 -21.8862 36.8673 GPRESSURE: 4260200 -388.838 -95.7948 -104.667 -105.618 -241.163 -74.1123 -94.2989 -106.492 -39.964 PRESSAVG: 4260200 48.69 -24.1948 -53.2514 -24.1949 -86.8015 -14.6196 -53.2515 -14.6195 3.43958 GPRESSAVG: 4260200 47.2899 -24.3478 -53.1751 -23.7211 -84.9037 -14.136 -53.1586 -16.871 3.3924 TIMING: 4260200 CPU: 13538, 0.00316816/step Wall: 13538, 0.00316816/step, 0.651057 hours remaining, 238.355469 MB of memory in use. ENERGY: 4260200 3916.0454 20640.5664 14421.1152 246.2277 -203373.0705 2436.1250 0.0000 0.0000 51699.9541 -110013.0369 297.1203 -161712.9910 -109656.5237 298.2567 -262.7724 -223.3216 762274.5198 -11.5573 -11.4071 LDB: ============= START OF LOAD BALANCING ============== 13550.4 LDB: ============== END OF LOAD BALANCING =============== 13550.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13550.4 LDB: ============= START OF LOAD BALANCING ============== 13550.7 LDB: Largest compute 7024 load 0.034402 is 17.5% of average load 0.196155 LDB: Average compute 0.004392 is 2.2% of average load 0.196155 LDB: TIME 13550.7 LOAD: AVG 0.196155 MAX 0.218491 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 13550.7 LOAD: AVG 0.196155 MAX 0.218491 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 13550.7 LOAD: AVG 0.196155 MAX 0.218491 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 13550.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13550.7 PRESSURE: 4260400 -119.546 -16.3307 -5.23897 -16.3307 114.596 218.265 -5.23934 218.265 -284.773 GPRESSURE: 4260400 -95.304 -48.6813 86.8675 -87.5728 212.345 193.532 -82.0794 123.7 -311.273 PRESSAVG: 4260400 -10.6023 -59.7303 16.518 -59.7303 11.554 -21.5109 16.518 -21.5109 0.291362 GPRESSAVG: 4260400 -9.00915 -60.0761 15.6327 -59.3039 9.12518 -23.3965 15.8397 -19.5501 1.24644 TIMING: 4260400 CPU: 13538.6, 0.00324331/step Wall: 13538.6, 0.00324331/step, 0.666321 hours remaining, 237.640625 MB of memory in use. ENERGY: 4260400 3971.9221 20490.8041 14475.3114 243.4339 -203768.7287 2859.7355 0.0000 0.0000 51943.6013 -109783.9204 298.5206 -161727.5217 -109407.0902 298.2292 -96.5742 -64.7441 762055.7510 0.4143 0.4542 PRESSURE: 4260600 25.9181 72.7184 16.206 72.7193 22.4139 -3.69523 16.2063 -3.69537 258.248 GPRESSURE: 4260600 -5.39938 110.083 -11.5482 52.3914 117.304 0.14075 91.4767 -35.0721 260.328 PRESSAVG: 4260600 19.9024 -3.6483 19.7754 -3.64827 14.3104 -5.31676 19.7754 -5.31679 -10.3603 GPRESSAVG: 4260600 17.6589 -3.9818 19.7999 -3.74326 15.2608 -4.95712 21.0194 -6.7598 -9.42279 TIMING: 4260600 CPU: 13539.3, 0.00316467/step Wall: 13539.3, 0.00316467/step, 0.649987 hours remaining, 237.640625 MB of memory in use. ENERGY: 4260600 3952.9540 20516.8331 14473.0707 239.7892 -203729.1527 2689.6512 0.0000 0.0000 52084.6755 -109772.1790 299.3313 -161856.8545 -109411.2161 298.6268 102.1933 124.0777 761941.0154 7.9508 7.8323 PRESSURE: 4260800 205.034 116.944 -40.565 116.945 114.865 -147.997 -40.5645 -147.998 250.871 GPRESSURE: 4260800 279.884 -50.0435 -62.3867 93.2689 166.457 -107.986 43.3958 -209.555 171.738 PRESSAVG: 4260800 -32.2757 24.6717 1.26641 24.6717 -9.94184 -17.1419 1.2664 -17.1419 15.3795 GPRESSAVG: 4260800 -30.448 23.8752 0.958634 23.9377 -10.4858 -15.16 0.928376 -17.3199 14.3626 TIMING: 4260800 CPU: 13539.9, 0.00317682/step Wall: 13539.9, 0.00317682/step, 0.652308 hours remaining, 237.640625 MB of memory in use. ENERGY: 4260800 3931.7093 20671.1653 14485.4512 233.7952 -203886.0035 2808.1356 0.0000 0.0000 52130.9653 -109624.7814 299.5974 -161755.7468 -109262.1985 298.7726 190.2565 206.0263 761618.3578 -8.9460 -8.8571 PRESSURE: 4261000 -143.242 56.7202 186.927 56.7204 -158.216 138.577 186.926 138.578 -262.944 GPRESSURE: 4261000 5.55005 41.3052 109.3 48.0763 -263.345 28.3052 117.354 193.767 -235.327 PRESSAVG: 4261000 41.0385 23.0038 9.04801 23.0038 -24.3866 9.99275 9.04793 9.99283 5.58963 GPRESSAVG: 4261000 41.5175 25.7624 7.97934 23.8627 -25.3579 9.60565 9.39275 9.84637 6.60088 TIMING: 4261000 CPU: 13540.5, 0.00319765/step Wall: 13540.5, 0.00319765/step, 0.656406 hours remaining, 237.640625 MB of memory in use. ENERGY: 4261000 4062.5350 20549.9915 14456.5016 240.3344 -203281.6780 2425.7300 0.0000 0.0000 52006.1558 -109540.4297 298.8801 -161546.5855 -109187.7984 299.2003 -188.1339 -164.3739 763620.4856 7.4138 7.5868 PRESSURE: 4261200 -34.0901 -121.988 48.9156 -121.988 -203.874 64.2271 48.9149 64.2274 -322.743 GPRESSURE: 4261200 -82.4659 -116.08 67.9585 -120.019 -131.638 100.664 12.5118 25.0714 -263.784 PRESSAVG: 4261200 43.7267 1.75217 -17.9685 1.75222 -54.3012 -30.3321 -17.9684 -30.3321 0.397298 GPRESSAVG: 4261200 42.164 2.31913 -15.3115 1.52804 -52.0143 -31.8797 -20.6968 -29.8733 0.445646 TIMING: 4261200 CPU: 13541.2, 0.0031758/step Wall: 13541.2, 0.0031758/step, 0.651744 hours remaining, 237.640625 MB of memory in use. ENERGY: 4261200 4007.3582 20486.1731 14515.0825 226.5647 -203531.9705 2700.4878 0.0000 0.0000 51935.5041 -109660.8001 298.4741 -161596.3042 -109303.7821 298.8600 -186.9024 -159.2958 764347.9819 -3.3924 -3.1349 PRESSURE: 4261400 136.802 -21.1615 -143.166 -21.1616 424.966 76.4989 -143.167 76.4993 -299.677 GPRESSURE: 4261400 190.074 -85.3055 -146.384 10.8761 399.559 8.56568 3.28506 10.3868 -241.823 PRESSAVG: 4261400 -22.8027 30.0776 -9.14732 30.0776 15.5582 -52.9519 -9.14733 -52.9519 -4.3322 GPRESSAVG: 4261400 -22.4416 28.7235 -11.0472 29.719 14.6586 -51.6381 -5.28678 -55.1687 -3.52124 TIMING: 4261400 CPU: 13541.8, 0.00314029/step Wall: 13541.8, 0.00314029/step, 0.644284 hours remaining, 237.640625 MB of memory in use. ENERGY: 4261400 4027.3598 20476.5110 14547.5750 259.4591 -203656.2178 2879.8402 0.0000 0.0000 51719.4199 -109746.0527 297.2322 -161465.4727 -109388.5084 298.3798 87.3634 115.9368 762219.7992 -3.8589 -3.7681 PRESSURE: 4261600 291.269 -255.577 457.668 -255.576 -141.169 -100.249 457.668 -100.25 -223.846 GPRESSURE: 4261600 378.793 -242.184 376.604 -247.759 -179.868 -22.24 355.264 -56.1343 -192.37 PRESSAVG: 4261600 -40.5023 -35.7858 10.1259 -35.7858 35.2066 -6.51728 10.1259 -6.51733 -24.0076 GPRESSAVG: 4261600 -39.4452 -34.4118 13.0322 -37.2024 33.4644 -6.65067 6.22434 -4.12859 -23.9801 TIMING: 4261600 CPU: 13542.4, 0.0031574/step Wall: 13542.4, 0.0031574/step, 0.647617 hours remaining, 237.640625 MB of memory in use. ENERGY: 4261600 3889.0467 20509.5016 14478.1875 256.5837 -203806.3097 2859.4648 0.0000 0.0000 52031.5102 -109782.0151 299.0258 -161813.5254 -109411.0866 298.0562 -24.5821 2.1851 762675.8066 -9.7677 -9.9870 PRESSURE: 4261800 -320.769 248.665 -37.3053 248.665 -356.616 -87.4354 -37.3067 -87.4356 35.7681 GPRESSURE: 4261800 -421.889 272.327 63.3184 244.816 -213.62 -118.201 -124.136 -151.077 73.7986 PRESSAVG: 4261800 13.1955 -16.3912 -15.4716 -16.3912 9.52108 -3.51601 -15.4716 -3.51607 -1.74028 GPRESSAVG: 4261800 12.8045 -16.5829 -16.7084 -15.983 9.8155 -3.30518 -14.7409 -4.16124 -1.07044 TIMING: 4261800 CPU: 13543.1, 0.00313895/step Wall: 13543.1, 0.00313895/step, 0.64366 hours remaining, 237.640625 MB of memory in use. ENERGY: 4261800 3953.9481 20444.5059 14518.2143 260.4772 -202972.3730 2324.7638 0.0000 0.0000 51489.5174 -109980.9463 295.9110 -161470.4637 -109621.8489 298.1663 -213.8723 -187.2368 763334.8312 6.9921 7.1832 PRESSURE: 4262000 -328.472 -67.9341 11.1291 -67.9346 -106.7 34.4966 11.1291 34.4948 -258.947 GPRESSURE: 4262000 -350.203 -81.7862 -15.9307 -61.0753 -11.295 100.861 64.8963 -52.7421 -271.438 PRESSAVG: 4262000 -4.80993 -20.6493 -37.086 -20.6493 3.4239 34.1025 -37.086 34.1024 8.53899 GPRESSAVG: 4262000 -5.01342 -22.6207 -37.4107 -20.7305 4.6832 34.6851 -36.6405 32.8186 7.15485 TIMING: 4262000 CPU: 13543.7, 0.00315545/step Wall: 13543.7, 0.00315545/step, 0.646868 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4262000 4072.6054 20225.2462 14514.0157 251.5082 -203996.8188 2852.5960 0.0000 0.0000 51944.6859 -110136.1615 298.5268 -162080.8474 -109777.3853 297.5592 -231.3730 -210.9788 762596.8380 2.3843 2.2749 PRESSURE: 4262200 -133.555 -41.7058 -144.781 -41.7056 -46.1412 -353.666 -144.781 -353.666 -84.7606 GPRESSURE: 4262200 -49.8164 -86.2557 -156.791 -87.0193 -7.93071 -228.205 -156.679 -303.445 -132.482 PRESSAVG: 4262200 1.36615 -57.7364 8.05899 -57.7364 -31.9359 -42.1752 8.059 -42.1751 8.0013 GPRESSAVG: 4262200 1.45412 -57.2234 7.68637 -58.3395 -30.9243 -43.1188 8.51137 -39.2237 6.66809 TIMING: 4262200 CPU: 13544.3, 0.0031268/step Wall: 13544.3, 0.0031268/step, 0.640821 hours remaining, 237.640625 MB of memory in use. ENERGY: 4262200 3948.2087 20634.6785 14423.2785 240.7120 -204083.8255 2897.8637 0.0000 0.0000 51910.6219 -110028.4622 298.3311 -161939.0841 -109674.7412 297.7355 -88.1521 -63.4095 761113.5527 -7.5228 -7.6007 PRESSURE: 4262400 263.569 143.994 47.1643 143.994 -47.1367 45.0516 47.1647 45.0528 62.1018 GPRESSURE: 4262400 266.104 -72.0839 -27.4198 142.232 -41.787 45.8532 36.6707 -25.6758 124.555 PRESSAVG: 4262400 14.8396 -6.98295 -37.3408 -6.98294 25.8123 -27.6585 -37.3408 -27.6585 26.2144 GPRESSAVG: 4262400 14.886 -5.03801 -36.8058 -6.62111 23.3762 -27.3883 -36.7935 -27.3368 28.3604 TIMING: 4262400 CPU: 13544.9, 0.0031329/step Wall: 13544.9, 0.0031329/step, 0.641896 hours remaining, 237.640625 MB of memory in use. ENERGY: 4262400 4001.7149 20609.5982 14459.3161 223.5791 -204222.0499 3008.5299 0.0000 0.0000 51800.2294 -110119.0824 297.6966 -161919.3118 -109758.0286 297.6462 92.8447 116.2904 760153.8384 22.2888 22.2075 PRESSURE: 4262600 195.12 142.429 -118.702 142.43 86.7393 -80.0571 -118.702 -80.0568 394.408 GPRESSURE: 4262600 123.23 166.005 -61.9975 144.899 236.377 -62.6754 -52.9392 22.9499 377.326 PRESSAVG: 4262600 26.8652 -10.5345 -10.4612 -10.5345 -12.04 52.4095 -10.4612 52.4095 -4.02758 GPRESSAVG: 4262600 24.8484 -10.1428 -11.8121 -11.377 -11.3502 52.5529 -11.2424 51.3034 -2.80562 TIMING: 4262600 CPU: 13545.6, 0.00315643/step Wall: 13545.6, 0.00315643/step, 0.646542 hours remaining, 237.640625 MB of memory in use. ENERGY: 4262600 4006.0289 20375.1183 14432.6752 239.6223 -204265.7948 3037.0411 0.0000 0.0000 51853.7540 -110321.5550 298.0042 -162175.3090 -109960.3525 297.4316 225.4223 245.6443 759913.5950 3.5992 3.5642 PRESSURE: 4262800 280.985 48.1534 23.2579 48.1543 -165.604 -35.1227 23.2587 -35.123 171.639 GPRESSURE: 4262800 328.141 -13.999 0.276628 24.1659 -125.526 -97.7984 24.5444 -43.2474 147.517 PRESSAVG: 4262800 -10.512 -12.5096 -13.7321 -12.5097 -23.1738 23.2691 -13.7322 23.2691 -1.90031 GPRESSAVG: 4262800 -8.3056 -14.749 -13.2071 -11.3295 -23.5747 22.166 -13.6616 24.2229 -3.78376 TIMING: 4262800 CPU: 13546.2, 0.00317618/step Wall: 13546.2, 0.00317618/step, 0.650411 hours remaining, 237.640625 MB of memory in use. ENERGY: 4262800 3998.2793 20523.1846 14456.3344 229.5636 -203659.0280 2586.3670 0.0000 0.0000 51907.2377 -109958.0613 298.3116 -161865.2990 -109597.0463 297.6919 95.6730 116.7110 760189.4045 -11.8620 -11.8880 PRESSURE: 4263000 -215.939 -67.9451 10.913 -67.9453 -16.409 -65.065 10.9129 -65.0649 -16.7437 GPRESSURE: 4263000 -141.049 -36.5411 71.7755 -3.27176 47.3807 -76.1018 93.8037 -91.4775 -63.9701 PRESSAVG: 4263000 21.6692 -34.4818 -31.0125 -34.4818 -31.9151 -21.4535 -31.0125 -21.4535 29.091 GPRESSAVG: 4263000 20.7293 -33.3485 -30.0565 -35.464 -31.4097 -21.6744 -30.7317 -21.4377 29.7895 TIMING: 4263000 CPU: 13546.8, 0.00315301/step Wall: 13546.8, 0.003153/step, 0.64549 hours remaining, 237.640625 MB of memory in use. ENERGY: 4263000 3951.9044 20556.1039 14448.8141 242.9726 -203778.6580 2728.7602 0.0000 0.0000 51849.2657 -110000.8370 297.9784 -161850.1027 -109637.9480 298.0983 -83.0307 -52.5461 761220.1524 6.2817 6.3697 PRESSURE: 4263200 -501.209 -123.803 104.713 -123.803 45.2628 73.1671 104.713 73.1678 -196.938 GPRESSURE: 4263200 -406.19 -173.988 139.795 -52.1079 43.9461 64.6221 116.606 45.8212 -205.857 PRESSAVG: 4263200 26.0678 -19.9222 -12.2487 -19.9222 -48.6552 -5.96618 -12.2488 -5.9662 -26.5493 GPRESSAVG: 4263200 27.0675 -20.092 -12.8032 -19.7825 -49.0395 -6.08007 -10.1603 -4.60178 -26.877 TIMING: 4263200 CPU: 13547.5, 0.00315612/step Wall: 13547.5, 0.00315612/step, 0.645952 hours remaining, 237.640625 MB of memory in use. ENERGY: 4263200 3971.2700 20379.6448 14478.5660 257.9041 -203509.3644 2449.4258 0.0000 0.0000 52143.8695 -109828.6841 299.6715 -161972.5536 -109452.2392 298.6060 -217.6282 -189.3671 763249.3199 -16.3789 -16.2830 PRESSURE: 4263400 126.324 268.58 34.0069 268.58 -43.0381 0.302574 34.0064 0.303298 176.281 GPRESSURE: 4263400 190.869 231.831 105.981 99.0471 -51.3268 -4.01858 104.357 -39.3445 178.358 PRESSAVG: 4263400 23.296 -7.89066 22.9726 -7.89061 -24.0218 -0.324293 22.9726 -0.324246 -13.1283 GPRESSAVG: 4263400 22.658 -8.27303 23.2183 -8.66387 -24.7255 0.168853 21.6666 -2.299 -12.349 TIMING: 4263400 CPU: 13548.1, 0.00314711/step Wall: 13548.1, 0.00314711/step, 0.643934 hours remaining, 237.640625 MB of memory in use. ENERGY: 4263400 3945.0746 20558.1253 14520.4714 244.5011 -203573.3798 2657.9568 0.0000 0.0000 51852.3098 -109794.9407 297.9959 -161647.2505 -109425.7639 298.7877 86.5223 105.9665 763176.4700 -4.6181 -4.8055 PRESSURE: 4263600 -276.587 -116.45 -80.8086 -116.449 -246.628 -202.432 -80.808 -202.431 -69.2036 GPRESSURE: 4263600 -319.302 -100.627 -93.3068 -56.7752 -111.402 -211.029 -148.915 -323.064 -70.9965 PRESSAVG: 4263600 -40.3953 10.3222 -6.77302 10.3223 16.8739 15.382 -6.77294 15.3819 -17.2031 GPRESSAVG: 4263600 -40.6762 10.7847 -8.57022 10.6609 18.0722 15.4828 -6.71422 15.6748 -18.2663 TIMING: 4263600 CPU: 13548.7, 0.0031419/step Wall: 13548.7, 0.0031419/step, 0.642693 hours remaining, 237.640625 MB of memory in use. ENERGY: 4263600 3919.3142 20453.4835 14514.0638 259.8245 -203959.7223 2831.6536 0.0000 0.0000 52022.6259 -109958.7567 298.9747 -161981.3826 -109594.2118 298.8592 -197.4727 -167.2337 762976.4727 -13.5749 -13.6235 PRESSURE: 4263800 233.213 20.249 -24.6223 20.2492 -568.309 -223.542 -24.6219 -223.542 -162.188 GPRESSURE: 4263800 209.834 -32.9641 44.6819 -7.24667 -442.812 -199.831 -52.4145 -210.836 -150.547 PRESSAVG: 4263800 1.46938 -4.75876 4.63204 -4.75871 -11.3439 29.1741 4.6321 29.1741 4.71642 GPRESSAVG: 4263800 0.766125 -4.25934 5.69109 -3.17624 -10.2936 29.2361 4.19352 29.546 4.0387 TIMING: 4263800 CPU: 13549.4, 0.00314049/step Wall: 13549.4, 0.00314049/step, 0.642229 hours remaining, 237.640625 MB of memory in use. ENERGY: 4263800 4084.1796 20346.3331 14433.1983 253.6028 -203899.0486 2887.7049 0.0000 0.0000 52088.9996 -109805.0304 299.3562 -161894.0300 -109427.9007 298.6544 -165.7613 -127.8417 761254.7561 -1.7194 -1.8296 PRESSURE: 4264000 -160.53 24.6749 -15.1203 24.6742 -227.674 37.0762 -15.1193 37.0773 -346.436 GPRESSURE: 4264000 -112.463 67.2945 -91.4157 -105.693 -224.232 30.1435 -112.814 -28.5729 -309.411 PRESSAVG: 4264000 3.77853 -5.60067 -3.8989 -5.60066 25.595 4.80703 -3.89885 4.80707 -32.759 GPRESSAVG: 4264000 5.23194 -7.40763 -2.66726 -7.15568 24.2395 5.33859 -4.78193 2.29999 -32.739 TIMING: 4264000 CPU: 13550, 0.00316267/step Wall: 13550, 0.00316267/step, 0.64659 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4264000 4020.1122 20450.9957 14441.7500 253.6833 -203245.2004 2530.3420 0.0000 0.0000 51620.9037 -109927.4134 296.6660 -161548.3171 -109571.1170 298.2968 -244.8800 -215.3688 762849.3990 -1.1285 -1.0892 PRESSURE: 4264200 242.094 41.1111 -8.12115 41.112 -18.5728 -156.249 -8.12185 -156.249 236.754 GPRESSURE: 4264200 300.318 -36.0078 18.4237 94.4184 -39.1065 -186.866 -2.77317 -94.1901 284.83 PRESSAVG: 4264200 -0.387101 -12.0927 -32.7014 -12.0926 5.31204 24.2109 -32.7014 24.2109 5.34267 GPRESSAVG: 4264200 -1.57652 -12.0212 -32.2201 -10.8542 5.05651 22.1774 -33.443 25.8357 6.94913 TIMING: 4264200 CPU: 13550.6, 0.00314994/step Wall: 13550.6, 0.00314994/step, 0.643812 hours remaining, 237.640625 MB of memory in use. ENERGY: 4264200 3874.2043 20542.6461 14484.2975 236.6677 -203600.7249 2877.8344 0.0000 0.0000 51758.0853 -109826.9896 297.4544 -161585.0749 -109457.9884 297.3135 153.4252 182.0140 760282.8933 3.4225 3.4764 LDB: ============= START OF LOAD BALANCING ============== 13563 LDB: ============== END OF LOAD BALANCING =============== 13563 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13563 LDB: ============= START OF LOAD BALANCING ============== 13563.3 LDB: Largest compute 7075 load 0.035951 is 18.3% of average load 0.196060 LDB: Average compute 0.004388 is 2.2% of average load 0.196060 LDB: TIME 13563.3 LOAD: AVG 0.19606 MAX 0.21836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 13563.3 LOAD: AVG 0.19606 MAX 0.21836 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 13563.3 LOAD: AVG 0.19606 MAX 0.21836 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 13563.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13563.3 PRESSURE: 4264400 482.047 101.323 -167.994 101.324 76.3646 -7.95842 -167.994 -7.95719 29.311 GPRESSURE: 4264400 468.789 146.38 -128.637 131.328 149.506 -42.6482 -99.6156 -100.819 59.0083 PRESSAVG: 4264400 29.2632 29.0505 -30.9757 29.0505 -32.4996 -4.13099 -30.9758 -4.13106 -9.77987 GPRESSAVG: 4264400 31.029 31.3794 -30.1799 29.4579 -32.73 -2.74878 -29.6897 -4.19571 -10.5424 TIMING: 4264400 CPU: 13551.3, 0.00322986/step Wall: 13551.3, 0.00322986/step, 0.659968 hours remaining, 239.242188 MB of memory in use. ENERGY: 4264400 4012.9140 20456.1345 14430.3004 252.5657 -203792.9203 3049.1244 0.0000 0.0000 51869.2760 -109722.6051 298.0934 -161591.8811 -109356.6474 298.2618 195.9075 225.7679 761409.1589 -4.3388 -4.0811 PRESSURE: 4264600 -39.4685 25.5216 16.6537 25.5216 -111.063 131.61 16.6531 131.61 -133.624 GPRESSURE: 4264600 -69.7712 93.25 -84.9748 4.40603 -56.431 153.492 -24.108 42.3493 -79.9917 PRESSAVG: 4264600 -1.23444 -27.9252 -23.4369 -27.9252 24.9242 7.87904 -23.4369 7.8791 11.8682 GPRESSAVG: 4264600 -1.85388 -29.5481 -24.8279 -28.5595 25.2766 5.60266 -22.6634 5.53473 12.1885 TIMING: 4264600 CPU: 13551.9, 0.00314059/step Wall: 13551.9, 0.00314059/step, 0.641553 hours remaining, 239.250000 MB of memory in use. ENERGY: 4264600 3904.1771 20462.3115 14420.0028 241.5311 -203677.2004 2691.6992 0.0000 0.0000 52126.0631 -109831.4157 299.5692 -161957.4788 -109462.8676 298.4000 -94.7185 -68.7313 762429.0722 11.8527 11.8704 PRESSURE: 4264800 24.6201 11.2001 243.998 11.1999 135.933 43.6487 243.998 43.6492 337.206 GPRESSURE: 4264800 87.0715 16.0792 232.692 28.7586 151.375 15.0625 203.107 233.622 334.483 PRESSAVG: 4264800 -13.1401 5.1235 -10.6572 5.12345 27.3984 10.2746 -10.6573 10.2746 -4.73671 GPRESSAVG: 4264800 -13.4251 6.0676 -12.9709 4.69541 27.5767 10.3308 -9.02977 15.1146 -5.27399 TIMING: 4264800 CPU: 13552.5, 0.0031548/step Wall: 13552.5, 0.0031548/step, 0.64428 hours remaining, 239.250000 MB of memory in use. ENERGY: 4264800 4014.5611 20453.8395 14416.9479 231.3157 -203889.2877 2705.7409 0.0000 0.0000 52065.3488 -110001.5338 299.2203 -162066.8826 -109641.0870 298.4600 165.9198 190.9763 760528.0025 3.1739 2.9592 PRESSURE: 4265000 -228.523 -111.52 -20.3666 -111.519 -49.9411 -87.5726 -20.3665 -87.5726 -262.467 GPRESSURE: 4265000 -188.11 -280.1 -102.721 -159.348 31.9844 -132.439 -7.21259 -107.952 -303.812 PRESSAVG: 4265000 3.78328 -33.5051 57.7486 -33.505 11.4377 6.90758 57.7485 6.9076 14.8025 GPRESSAVG: 4265000 3.23707 -33.876 58.7417 -33.7198 11.2066 10.4964 56.9224 3.22389 15.1668 TIMING: 4265000 CPU: 13553.1, 0.00315495/step Wall: 13553.1, 0.00315495/step, 0.644136 hours remaining, 239.250000 MB of memory in use. ENERGY: 4265000 3979.9826 20330.9633 14489.6680 248.0881 -203441.2593 2388.4145 0.0000 0.0000 51736.0188 -110268.1240 297.3276 -162004.1428 -109902.6636 297.5568 -180.3102 -153.3127 761319.2679 10.0078 9.8702 PRESSURE: 4265200 -73.2689 -150.081 94.1557 -150.08 -133.402 94.9113 94.1551 94.9116 239.7 GPRESSURE: 4265200 32.3631 -172.41 7.41114 -103.758 -53.5801 117.069 14.1433 118.003 128.534 PRESSAVG: 4265200 77.5168 -65.8385 -11.1461 -65.8385 -81.2777 -3.8761 -11.1462 -3.87609 4.11072 GPRESSAVG: 4265200 78.5275 -64.9301 -10.031 -65.9096 -81.7822 -4.35005 -11.3551 -2.62297 3.00456 TIMING: 4265200 CPU: 13553.8, 0.00315336/step Wall: 13553.8, 0.00315336/step, 0.643636 hours remaining, 239.250000 MB of memory in use. ENERGY: 4265200 3942.6060 20381.0847 14422.4041 237.0116 -203831.8643 2619.3759 0.0000 0.0000 52019.4939 -110209.8880 298.9567 -162229.3819 -109850.1989 297.2381 11.0098 35.7723 760461.4686 0.1166 -0.0834 PRESSURE: 4265400 6.58322 -6.50731 107.78 -6.50765 -15.9091 -115.483 107.78 -115.482 -325.167 GPRESSURE: 4265400 59.5083 -9.73219 132.327 24.3879 -49.7878 -150.391 113.973 -97.7466 -260.032 PRESSAVG: 4265400 -1.40746 -12.753 -31.5835 -12.7531 -5.19609 52.5554 -31.5835 52.5554 -14.7338 GPRESSAVG: 4265400 -3.05789 -12.1993 -32.9603 -11.4619 -4.37306 52.4739 -30.6063 54.1772 -14.0837 TIMING: 4265400 CPU: 13554.4, 0.00314266/step Wall: 13554.4, 0.00314266/step, 0.641278 hours remaining, 239.250000 MB of memory in use. ENERGY: 4265400 4010.1072 20612.8506 14415.7859 245.4219 -203164.8824 2302.5182 0.0000 0.0000 51566.8082 -110011.3905 296.3552 -161578.1986 -109654.8310 297.8729 -111.4976 -83.4372 761051.1232 -7.1124 -7.1715 PRESSURE: 4265600 -322.069 265.168 -145.746 265.168 55.9994 -86.3632 -145.745 -86.3632 -28.4672 GPRESSURE: 4265600 -296.819 202.197 -146.899 92.4796 64.9303 -114.614 -204.281 -161.266 16.582 PRESSAVG: 4265600 13.3215 -26.5735 -0.0575409 -26.5735 -44.6141 -23.1247 -0.0575216 -23.1248 -7.5224 GPRESSAVG: 4265600 15.0613 -25.0588 0.744215 -29.0985 -46.3714 -24.1314 -1.0279 -25.4439 -8.15916 TIMING: 4265600 CPU: 13555, 0.00315521/step Wall: 13555, 0.00315521/step, 0.643663 hours remaining, 239.250000 MB of memory in use. ENERGY: 4265600 3994.9132 20402.9821 14463.5669 243.2725 -203090.0748 2352.6379 0.0000 0.0000 51599.1934 -110033.5089 296.5413 -161632.7023 -109672.1716 298.1876 -98.1791 -71.7691 762089.5230 -12.9383 -13.1564 PRESSURE: 4265800 -31.7603 42.2228 -264.885 42.2231 -101.14 -74.4477 -264.885 -74.4483 -16.9445 GPRESSURE: 4265800 -86.4142 82.5544 -311.189 -122.527 54.9347 -18.4955 -242.348 -22.3398 -29.0828 PRESSAVG: 4265800 10.8207 26.7797 -13.1701 26.7796 32.1136 9.68135 -13.17 9.68147 -0.793103 GPRESSAVG: 4265800 9.6567 22.9479 -14.4596 29.4458 33.8282 10.5397 -14.1249 9.55299 -0.851915 TIMING: 4265800 CPU: 13555.7, 0.00314872/step Wall: 13555.7, 0.00314872/step, 0.642164 hours remaining, 239.250000 MB of memory in use. ENERGY: 4265800 3961.7329 20445.1284 14385.3622 253.1172 -203653.4288 2608.0783 0.0000 0.0000 51982.9472 -110017.0627 298.7467 -162000.0098 -109653.9742 298.1071 -49.9484 -20.1874 761423.7018 14.0471 14.2110 PRESSURE: 4266000 -15.1534 181.174 218.799 181.176 84.1553 -63.0723 218.799 -63.0717 -144.534 GPRESSURE: 4266000 67.8891 98.002 212.941 260.244 108.177 -30.1333 210.373 -4.04197 -169.224 PRESSAVG: 4266000 40.0275 -21.398 25.1687 -21.3981 -12.9451 -2.94084 25.1688 -2.94088 24.7084 GPRESSAVG: 4266000 40.1656 -20.5252 26.3816 -21.6264 -13.8157 -3.22316 24.5998 -1.66805 25.1545 TIMING: 4266000 CPU: 13556.3, 0.0031938/step Wall: 13556.3, 0.0031938/step, 0.65118 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4266000 4026.8771 20561.9444 14456.2673 239.3092 -203217.7305 2330.3192 0.0000 0.0000 51810.1579 -109792.8554 297.7537 -161603.0133 -109438.1709 298.1768 -25.1773 2.2807 760996.0048 17.2636 17.1682 PRESSURE: 4266200 -376.627 -80.8278 -230.233 -80.8274 353.465 204.559 -230.233 204.558 -86.9199 GPRESSURE: 4266200 -327.401 -151.205 -165.978 -48.2531 326.672 236.38 -149.286 143.673 -30.8096 PRESSAVG: 4266200 11.9211 33.8763 -52.1405 33.8763 -15.038 72.3349 -52.1405 72.3348 15.4845 GPRESSAVG: 4266200 10.7543 34.1226 -52.092 34.7369 -15.5039 71.4361 -51.8511 70.4166 16.6701 TIMING: 4266200 CPU: 13556.9, 0.00318999/step Wall: 13556.9, 0.00318999/step, 0.650226 hours remaining, 239.250000 MB of memory in use. ENERGY: 4266200 4041.9139 20514.7115 14454.0452 234.0168 -203386.8904 2441.7272 0.0000 0.0000 52008.6437 -109691.8321 298.8944 -161700.4758 -109328.3544 298.4288 -36.6939 -10.5131 761111.8533 4.1225 3.9735 PRESSURE: 4266400 -77.2241 -53.8115 -157.332 -53.812 -125.345 167.719 -157.333 167.719 -133.287 GPRESSURE: 4266400 -25.6498 -143.567 -152.477 4.14069 -67.6102 223.04 -67.1999 262.162 -165.233 PRESSAVG: 4266400 15.7949 -47.9606 11.934 -47.9606 -15.7851 27.7442 11.9339 27.7443 -23.4406 GPRESSAVG: 4266400 15.9591 -48.6046 13.2269 -49.622 -15.51 27.4204 13.6061 29.5332 -23.8458 TIMING: 4266400 CPU: 13557.6, 0.00316711/step Wall: 13557.6, 0.00316711/step, 0.645387 hours remaining, 239.250000 MB of memory in use. ENERGY: 4266400 4036.8100 20541.6963 14466.0619 244.3498 -203695.3471 2810.9308 0.0000 0.0000 51974.4228 -109621.0757 298.6977 -161595.4984 -109272.7357 298.3726 -111.9522 -86.1645 760728.3975 -7.8103 -7.7989 PRESSURE: 4266600 -158.807 147.174 138.126 147.174 -234.33 -107.325 138.126 -107.326 109.682 GPRESSURE: 4266600 -18.9529 -17.4641 65.082 150.107 -308.393 -215.586 -37.6113 -115.093 117.622 PRESSAVG: 4266600 45.2669 8.39654 11.3606 8.39652 -22.3837 31.0228 11.3606 31.0226 26.06 GPRESSAVG: 4266600 47.5594 6.59695 9.59947 9.64846 -22.7325 33.3584 10.5534 31.4021 24.4809 TIMING: 4266600 CPU: 13558.2, 0.00320052/step Wall: 13558.2, 0.00320052/step, 0.652016 hours remaining, 239.250000 MB of memory in use. ENERGY: 4266600 4024.4789 20661.5697 14477.4858 238.5681 -203519.5121 2686.0772 0.0000 0.0000 51727.3955 -109703.9368 297.2781 -161431.3323 -109354.1364 297.7535 -94.4852 -69.9080 761488.6083 16.3144 16.4359 PRESSURE: 4266800 -208.042 -217.729 -20.5324 -217.729 26.9135 86.8771 -20.533 86.8771 -538.121 GPRESSURE: 4266800 -140.332 -295.511 -19.5025 -122.609 -4.7622 73.2263 152.543 118.164 -481.532 PRESSAVG: 4266800 0.614731 20.2878 -43.9379 20.2878 -15.4585 -35.6936 -43.9378 -35.6935 4.57854 GPRESSAVG: 4266800 -2.22874 21.688 -41.2989 20.526 -15.1483 -38.3607 -44.0586 -37.204 6.87973 TIMING: 4266800 CPU: 13558.9, 0.00315658/step Wall: 13558.9, 0.00315658/step, 0.642891 hours remaining, 239.250000 MB of memory in use. ENERGY: 4266800 4051.7251 20453.5481 14434.7302 254.8657 -203253.2797 2501.6088 0.0000 0.0000 52009.9507 -109546.8512 298.9019 -161556.8019 -109183.2397 298.3982 -239.7497 -208.8757 761878.7575 -3.4218 -3.4991 PRESSURE: 4267000 64.1012 -157.879 54.8876 -157.879 -355.017 32.3469 54.8877 32.348 104.28 GPRESSURE: 4267000 100.285 -220.126 8.77339 -173.403 -296.688 86.2426 55.5016 -68.0558 104.359 PRESSAVG: 4267000 -1.83191 -41.6486 28.9496 -41.6486 -12.6928 -6.47515 28.9495 -6.47516 -19.148 GPRESSAVG: 4267000 -0.959775 -41.0715 27.1395 -42.6262 -11.8875 -4.53059 30.0367 -4.91184 -20.895 TIMING: 4267000 CPU: 13559.5, 0.00316775/step Wall: 13559.5, 0.00316775/step, 0.644988 hours remaining, 239.250000 MB of memory in use. ENERGY: 4267000 3965.4673 20455.9677 14527.4211 247.3236 -203246.6971 2596.5746 0.0000 0.0000 51881.6625 -109572.2803 298.1646 -161453.9428 -109200.8412 298.6318 -62.2117 -30.6814 761354.8951 -11.2242 -11.2474 PRESSURE: 4267200 104.487 -33.4331 -345.834 -33.4331 -70.7493 -131.785 -345.834 -131.786 -254.469 GPRESSURE: 4267200 115.156 -38.6828 -336.81 24.9867 37.8016 -94.7205 -346.636 -168.209 -292.832 PRESSAVG: 4267200 20.2897 -50.4215 -24.4077 -50.4215 37.5768 27.3595 -24.4078 27.3595 0.507899 GPRESSAVG: 4267200 19.4809 -50.7338 -25.0577 -48.2693 37.4707 24.8558 -27.2992 27.1659 1.1778 TIMING: 4267200 CPU: 13560.1, 0.00317352/step Wall: 13560.1, 0.00317352/step, 0.645987 hours remaining, 239.250000 MB of memory in use. ENERGY: 4267200 4036.2498 20356.8737 14525.8919 257.1822 -203433.0607 2746.4812 0.0000 0.0000 51850.0794 -109660.3024 297.9831 -161510.3819 -109299.7162 298.5658 -73.5771 -46.6248 761895.0526 19.4582 19.3765 PRESSURE: 4267400 253.28 84.0621 128.148 84.062 87.7883 44.178 128.147 44.1773 148.55 GPRESSURE: 4267400 295.937 -4.6268 62.2452 69.7377 166.612 45.4362 248.976 -85.0032 135.85 PRESSAVG: 4267400 25.9592 -27.9035 -0.611383 -27.9035 -8.92184 62.376 -0.611436 62.376 12.6854 GPRESSAVG: 4267400 26.3466 -27.3944 -0.555701 -28.3053 -9.29614 63.7461 -0.72377 60.765 12.7105 TIMING: 4267400 CPU: 13560.8, 0.0031627/step Wall: 13560.8, 0.0031627/step, 0.64361 hours remaining, 239.250000 MB of memory in use. ENERGY: 4267400 3960.2223 20515.8331 14451.8439 248.3865 -203675.8375 2715.7181 0.0000 0.0000 52177.3825 -109606.4512 299.8641 -161783.8337 -109246.4305 299.1900 163.2060 199.4663 762746.7828 9.9076 9.9203 PRESSURE: 4267600 99.9557 19.359 -251.531 19.3594 -126.135 283.137 -251.53 283.137 -49.6381 GPRESSURE: 4267600 111.138 -28.2489 -235.695 30.589 -90.4121 237.378 -133.87 237.311 -19.1225 PRESSAVG: 4267600 34.1281 -79.8167 32.878 -79.8167 -12.571 -16.5072 32.8779 -16.5073 2.48925 GPRESSAVG: 4267600 34.6122 -79.9735 33.5863 -81.1726 -11.7859 -16.5037 33.4322 -16.5722 1.45323 TIMING: 4267600 CPU: 13561.4, 0.00315725/step Wall: 13561.4, 0.00315725/step, 0.642326 hours remaining, 239.250000 MB of memory in use. ENERGY: 4267600 4036.6457 20383.6633 14472.3098 246.2594 -203917.5667 2974.9853 0.0000 0.0000 51973.3492 -109830.3539 298.6916 -161803.7031 -109472.8966 298.4132 -25.2725 0.5346 760723.7697 8.0155 8.0932 PRESSURE: 4267800 65.1391 36.5425 44.6073 36.543 -9.36674 96.1579 44.6066 96.1574 63.3299 GPRESSURE: 4267800 -1.31382 2.17931 50.039 57.2413 74.2985 155.277 77.6317 126.221 116.29 PRESSAVG: 4267800 -22.5674 -1.55596 -10.4154 -1.556 34.9823 49.6702 -10.4155 49.6703 9.35543 GPRESSAVG: 4267800 -24.1443 -0.210152 -10.9348 -2.69252 35.1195 48.7499 -10.2119 48.1431 11.219 TIMING: 4267800 CPU: 13562, 0.0031449/step Wall: 13562, 0.0031449/step, 0.639637 hours remaining, 239.250000 MB of memory in use. ENERGY: 4267800 3978.8583 20667.9371 14462.0271 244.4878 -203773.1512 2572.6914 0.0000 0.0000 52190.8829 -109656.2666 299.9417 -161847.1495 -109294.9728 298.8037 39.7008 63.0915 760730.7328 7.2568 7.3981 PRESSURE: 4268000 -136.004 -190.644 150.768 -190.644 -314.6 -212.213 150.769 -212.212 -193.059 GPRESSURE: 4268000 -128.58 -185.491 270.885 -83.2184 -256.966 -153.732 89.0166 -201.6 -181.979 PRESSAVG: 4268000 -8.44114 -25.8743 32.6544 -25.8743 45.4106 1.56528 32.6544 1.56522 4.43489 GPRESSAVG: 4268000 -8.88857 -28.0752 33.268 -23.5803 46.4241 0.625419 33.177 3.39716 4.06877 TIMING: 4268000 CPU: 13562.6, 0.00314818/step Wall: 13562.6, 0.00314818/step, 0.64013 hours remaining, 239.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4268000 3954.8567 20500.7359 14413.4018 255.4434 -203517.1019 2660.4383 0.0000 0.0000 52294.8925 -109437.3332 300.5395 -161732.2257 -109070.6560 299.3768 -214.5543 -189.1751 762017.5944 13.8015 13.8681 PRESSURE: 4268200 -110.415 -109.197 -93.0639 -109.197 -140.132 260.352 -93.0646 260.352 -397.799 GPRESSURE: 4268200 -103.229 -145.765 -56.2341 -96.2042 -155.891 255.215 -149.225 84.9255 -292.108 PRESSAVG: 4268200 38.4853 -81.6708 20.5352 -81.6708 -7.86087 -9.65257 20.5352 -9.65254 14.9068 GPRESSAVG: 4268200 40.7425 -78.6076 19.748 -84.6751 -7.84217 -9.56914 20.1107 -8.80936 13.3054 TIMING: 4268200 CPU: 13563.3, 0.00315017/step Wall: 13563.3, 0.00315017/step, 0.640359 hours remaining, 239.250000 MB of memory in use. ENERGY: 4268200 4000.4955 20553.7937 14481.3344 256.0889 -203335.3629 2629.4287 0.0000 0.0000 51833.0178 -109581.2040 297.8851 -161414.2218 -109214.1650 299.2140 -216.1154 -183.7424 762971.7719 15.1771 15.4019 LDB: ============= START OF LOAD BALANCING ============== 13575.7 LDB: ============== END OF LOAD BALANCING =============== 13575.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13575.7 LDB: ============= START OF LOAD BALANCING ============== 13576 LDB: Largest compute 7075 load 0.037006 is 18.9% of average load 0.195992 LDB: Average compute 0.004419 is 2.3% of average load 0.195992 LDB: TIME 13576 LOAD: AVG 0.195992 MAX 0.221645 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 13576 LOAD: AVG 0.195992 MAX 0.221645 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 13576 LOAD: AVG 0.195992 MAX 0.217942 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 13576 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13576 PRESSURE: 4268400 236.538 -127.095 -34.4509 -127.096 -5.35738 142.674 -34.4507 142.673 -9.89361 GPRESSURE: 4268400 238.476 -60.914 22.9968 -197.911 26.398 112.423 23.8374 116.639 17.076 PRESSAVG: 4268400 8.83562 -36.6265 36.9403 -36.6265 -12.9818 70.1171 36.9403 70.1171 -5.60491 GPRESSAVG: 4268400 7.89135 -38.7905 39.5189 -34.252 -14.4334 72.2378 37.8828 68.8048 -3.30173 TIMING: 4268400 CPU: 13563.9, 0.00320699/step Wall: 13563.9, 0.00320699/step, 0.651731 hours remaining, 238.671875 MB of memory in use. ENERGY: 4268400 3993.4632 20473.3326 14419.9997 250.9965 -203818.5679 2976.2998 0.0000 0.0000 52101.4196 -109603.0565 299.4276 -161704.4760 -109245.6650 299.1942 73.7622 93.9834 760007.9021 -3.2504 -3.2812 PRESSURE: 4268600 -130.182 38.7784 18.0489 38.7785 118.541 -62.3054 18.0498 -62.3055 340.906 GPRESSURE: 4268600 -50.0324 -14.5975 -35.8017 45.2033 113.074 -41.6937 72.3194 -31.0621 375.369 PRESSAVG: 4268600 -4.76469 -31.2875 29.9917 -31.2874 -1.08668 14.7957 29.9917 14.7957 3.20595 GPRESSAVG: 4268600 -2.96498 -29.9536 29.4422 -31.1739 -1.50626 14.7582 29.5626 14.3725 2.26856 TIMING: 4268600 CPU: 13564.5, 0.00315014/step Wall: 13564.5, 0.00315014/step, 0.640003 hours remaining, 238.738281 MB of memory in use. ENERGY: 4268600 3927.0378 20543.7099 14341.0513 259.8327 -203269.2636 2608.7594 0.0000 0.0000 51674.4637 -109914.4091 296.9739 -161588.8727 -109550.2286 298.5205 109.7551 146.1367 760030.7720 -0.8818 -0.7342 PRESSURE: 4268800 197.827 -18.164 115.017 -18.1644 34.6011 60.1632 115.017 60.1636 -354.551 GPRESSURE: 4268800 172.777 -109.425 244.822 -79.7432 13.7118 61.0142 112.027 73.7015 -252.177 PRESSAVG: 4268800 45.7022 -27.3468 -22.6057 -27.3469 -55.0277 2.97415 -22.6057 2.97418 5.22655 GPRESSAVG: 4268800 44.27 -30.6867 -23.3971 -26.3481 -53.3365 1.85393 -22.2143 5.18475 4.62 TIMING: 4268800 CPU: 13565.2, 0.00316284/step Wall: 13565.2, 0.00316284/step, 0.642407 hours remaining, 238.738281 MB of memory in use. ENERGY: 4268800 4003.0170 20321.4640 14393.0325 245.6828 -203563.9983 2818.9034 0.0000 0.0000 51855.5817 -109926.3170 298.0147 -161781.8987 -109564.4411 298.3549 -40.7077 -21.8960 760898.0914 -1.3663 -1.4821 PRESSURE: 4269000 74.5064 -153.447 116.054 -153.447 -436.013 -52.8415 116.053 -52.8403 -323.56 GPRESSURE: 4269000 32.5511 -210.535 96.1891 -128.54 -355.363 -76.9234 -48.817 -81.6664 -306.129 PRESSAVG: 4269000 42.7139 -55.536 22.3508 -55.5361 -45.2101 26.2293 22.3508 26.2293 26.356 GPRESSAVG: 4269000 42.7817 -53.358 22.7871 -56.0907 -45.4035 26.4534 19.9925 24.4635 26.4251 TIMING: 4269000 CPU: 13565.8, 0.00316314/step Wall: 13565.8, 0.00316314/step, 0.642292 hours remaining, 238.738281 MB of memory in use. ENERGY: 4269000 3927.4922 20386.3215 14368.3561 251.2259 -203079.9949 2345.0649 0.0000 0.0000 51899.8660 -109901.6684 298.2692 -161801.5343 -109539.7486 298.0414 -228.3557 -209.6469 761608.1296 7.9533 7.9344 PRESSURE: 4269200 205.457 209.807 129.832 209.807 -245.95 402.7 129.831 402.7 100.388 GPRESSURE: 4269200 225.779 177.195 190.148 254.677 -154.462 408.993 157.353 387.42 72.9859 PRESSAVG: 4269200 52.3277 9.10642 21.4866 9.10639 -41.7805 40.6435 21.4866 40.6435 -20.3134 GPRESSAVG: 4269200 52.6818 8.27186 22.6338 10.7066 -41.9748 40.5289 20.9392 40.0588 -20.5841 TIMING: 4269200 CPU: 13566.4, 0.00315836/step Wall: 13566.4, 0.00315836/step, 0.641146 hours remaining, 238.738281 MB of memory in use. ENERGY: 4269200 3952.8367 20450.3396 14414.7660 229.3976 -203590.8890 2680.5802 0.0000 0.0000 51836.1062 -110026.8628 297.9028 -161862.9690 -109680.1564 297.6989 19.9650 48.1011 762235.9635 -3.2554 -3.2923 PRESSURE: 4269400 215.523 -199.971 -21.6212 -199.971 -33.1582 136.052 -21.6217 136.052 -172.123 GPRESSURE: 4269400 152.723 -55.7904 -37.7175 -135.006 49.6784 149.467 26.9992 135.029 -110.504 PRESSAVG: 4269400 13.1209 -3.85018 20.4962 -3.85018 -75.6158 -11.4642 20.4963 -11.4642 10.1691 GPRESSAVG: 4269400 12.5049 -3.17268 18.3383 -5.42102 -76.0844 -11.2453 23.1434 -9.67685 11.3859 TIMING: 4269400 CPU: 13567.1, 0.00320034/step Wall: 13567.1, 0.00320034/step, 0.649491 hours remaining, 238.738281 MB of memory in use. ENERGY: 4269400 3950.0402 20451.4019 14405.3893 232.2062 -203587.1370 2703.9383 0.0000 0.0000 51812.3168 -110031.8444 297.7661 -161844.1612 -109670.6081 297.8076 3.4140 30.6325 761790.9171 -17.4419 -17.3979 PRESSURE: 4269600 -207.347 -27.7471 71.0995 -27.7473 -294.583 63.6545 71.1 63.6551 -50.3013 GPRESSURE: 4269600 -170.076 -85.8986 119.222 -23.0907 -213.655 7.4544 161.497 23.838 -66.4687 PRESSAVG: 4269600 81.9981 -29.8634 65.2641 -29.8634 -46.9541 29.8304 65.2642 29.8304 6.58718 GPRESSAVG: 4269600 81.6265 -30.4665 66.1386 -28.8989 -46.4124 30.3076 65.4055 29.757 6.48519 TIMING: 4269600 CPU: 13567.7, 0.00319733/step Wall: 13567.7, 0.00319733/step, 0.648702 hours remaining, 238.738281 MB of memory in use. ENERGY: 4269600 4047.1407 20490.3429 14435.9219 260.2930 -203575.0112 2522.0820 0.0000 0.0000 51765.9882 -110053.2425 297.4998 -161819.2307 -109703.5638 297.7443 -184.0770 -150.0665 761633.7754 13.8771 13.8998 PRESSURE: 4269800 -12.432 62.4314 -171.134 62.4324 424.14 85.0312 -171.135 85.0306 -58.4128 GPRESSURE: 4269800 77.4793 27.6538 -188.406 50.1403 401.237 24.0877 -218.427 108.714 -40.2543 PRESSAVG: 4269800 8.43971 -20.5452 4.42215 -20.5452 2.50007 10.1085 4.42221 10.1084 -21.5838 GPRESSAVG: 4269800 9.8801 -18.6328 6.06338 -21.3535 0.692764 9.20442 3.04671 6.56555 -21.5444 TIMING: 4269800 CPU: 13568.4, 0.00319132/step Wall: 13568.4, 0.00319132/step, 0.647305 hours remaining, 238.738281 MB of memory in use. ENERGY: 4269800 4039.5945 20361.0003 14448.1844 243.4854 -203782.5616 2695.0665 0.0000 0.0000 51916.1043 -110079.1262 298.3626 -161995.2305 -109718.8202 298.2116 117.7652 146.1541 759563.4844 -3.5480 -3.6572 PRESSURE: 4270000 -131.363 -110.708 122.429 -110.708 -445.72 61.0271 122.428 61.0265 252.329 GPRESSURE: 4270000 -62.3261 -131.142 181.511 -103.983 -418.249 89.3327 14.7874 38.9835 243.691 PRESSAVG: 4270000 -6.33496 15.494 70.7916 15.4941 -2.23701 38.9376 70.7917 38.9377 0.412631 GPRESSAVG: 4270000 -7.44271 12.8379 69.2439 16.0891 0.0635409 39.3631 71.3727 40.3768 -1.37932 TIMING: 4270000 CPU: 13569, 0.00317426/step Wall: 13569, 0.00317426/step, 0.643669 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4270000 3976.7274 20340.7403 14332.7383 262.7201 -203702.7112 2898.2793 0.0000 0.0000 51717.9257 -110173.5801 297.2236 -161891.5058 -109806.2311 297.9990 -108.2510 -78.9612 761865.8619 -2.7198 -2.9195 PRESSURE: 4270200 -148.434 -19.6025 3.92823 -19.6026 -434.892 -122.264 3.92798 -122.264 24.1416 GPRESSURE: 4270200 -93.8189 -14.0545 -11.816 -167.525 -411.175 -191.622 112.497 -156.767 23.7296 PRESSAVG: 4270200 2.65652 -42.8916 43.404 -42.8915 2.66446 -19.7334 43.404 -19.7335 -29.28 GPRESSAVG: 4270200 3.13695 -41.8326 42.994 -43.1687 1.51555 -19.3898 42.6876 -19.5522 -28.5684 TIMING: 4270200 CPU: 13569.6, 0.00319344/step Wall: 13569.6, 0.00319344/step, 0.647382 hours remaining, 238.738281 MB of memory in use. ENERGY: 4270200 3990.0671 20410.2646 14410.8008 258.0017 -203545.0915 2636.6764 0.0000 0.0000 51808.0965 -110031.1843 297.7418 -161839.2808 -109665.5313 297.7538 -186.3950 -160.4214 762458.7161 -7.9863 -7.9720 PRESSURE: 4270400 9.74515 35.9826 -174.194 35.982 144.518 95.0514 -174.194 95.0523 -77.9879 GPRESSURE: 4270400 -1.89957 61.6105 -130.705 12.9724 99.9989 -96.8266 -106.751 145.375 59.3963 PRESSAVG: 4270400 23.1632 -50.4553 43.4294 -50.4552 -10.2415 -57.4795 43.4294 -57.4794 28.4626 GPRESSAVG: 4270400 22.9327 -53.9862 43.7589 -50.5517 -9.83073 -59.341 42.3311 -56.4034 28.9266 TIMING: 4270400 CPU: 13570.3, 0.00321484/step Wall: 13570.3, 0.00321484/step, 0.651541 hours remaining, 238.738281 MB of memory in use. ENERGY: 4270400 3922.6875 20282.1149 14453.1366 248.3844 -203812.6150 2875.9759 0.0000 0.0000 51852.0439 -110178.2717 297.9944 -162030.3157 -109817.1614 297.8017 25.4249 52.4986 760457.8011 13.7948 14.0095 PRESSURE: 4270600 225.329 -29.7756 152.736 -29.7767 -210.269 72.5498 152.736 72.5496 -140.601 GPRESSURE: 4270600 246.425 -88.2587 87.6249 -30.0679 -156.325 93.6547 50.878 36.3756 -143.705 PRESSAVG: 4270600 -1.25237 -15.7265 8.5898 -15.7264 -8.92624 59.4517 8.58981 59.4516 -11.587 GPRESSAVG: 4270600 -0.636085 -11.899 8.7575 -15.4656 -9.08033 60.0248 8.79123 59.0367 -12.6153 TIMING: 4270600 CPU: 13570.9, 0.00315355/step Wall: 13570.9, 0.00315355/step, 0.638944 hours remaining, 238.738281 MB of memory in use. ENERGY: 4270600 3928.9176 20346.0439 14470.8822 272.7934 -203961.8990 3054.8276 0.0000 0.0000 51852.3728 -110036.0615 297.9963 -161888.4343 -109673.6533 297.6973 -41.8469 -17.8685 759367.2832 -7.2552 -7.4439 PRESSURE: 4270800 79.6687 -79.7371 221.361 -79.7369 92.7869 -185.372 221.361 -185.373 225.28 GPRESSURE: 4270800 133.719 -135.198 243.663 -136.22 124.313 -236.848 166.682 -121.458 228.784 PRESSAVG: 4270800 23.9902 -50.9765 20.4233 -50.9765 -5.89848 -37.9237 20.4234 -37.9236 8.13566 GPRESSAVG: 4270800 22.901 -53.0697 19.7987 -51.0983 -4.93139 -37.3114 21.7242 -36.8085 8.71639 TIMING: 4270800 CPU: 13571.5, 0.00315514/step Wall: 13571.5, 0.00315514/step, 0.639091 hours remaining, 238.738281 MB of memory in use. ENERGY: 4270800 3947.3918 20239.3007 14467.3158 265.2252 -203636.8051 2628.7937 0.0000 0.0000 52191.0338 -109897.7442 299.9426 -162088.7780 -109530.8406 298.2589 132.5785 162.2723 760556.5125 8.7425 8.8953 PRESSURE: 4271000 117.19 7.09605 101.966 7.09614 -141.21 -109.165 101.967 -109.165 141.144 GPRESSURE: 4271000 194.502 -73.9704 105.894 -89.8345 -146.191 -59.0694 104.153 -124.084 139.415 PRESSAVG: 4271000 15.8657 -34.7702 -0.381685 -34.7702 17.9794 10.1526 -0.381717 10.1527 -7.67321 GPRESSAVG: 4271000 17.3449 -34.3508 0.660212 -33.1624 17.4217 11.2153 -0.468433 10.1101 -8.74908 TIMING: 4271000 CPU: 13572.2, 0.00318623/step Wall: 13572.2, 0.00318623/step, 0.645212 hours remaining, 238.738281 MB of memory in use. ENERGY: 4271000 3993.0721 20492.0917 14494.2178 251.8020 -203559.3428 2738.3254 0.0000 0.0000 51737.8037 -109852.0301 297.3379 -161589.8338 -109497.3318 298.1118 39.0414 62.5754 759574.9365 8.7240 8.6725 PRESSURE: 4271200 26.1109 -229.056 122.794 -229.056 -113.153 32.1609 122.795 32.1613 -68.938 GPRESSURE: 4271200 23.7738 -211.326 -0.848957 -155.98 -50.3455 19.3592 127.336 104.267 -40.9351 PRESSAVG: 4271200 17.3095 -10.7473 78.5906 -10.7472 -33.4988 19.6348 78.5906 19.6347 7.59567 GPRESSAVG: 4271200 16.1426 -9.35107 78.4847 -13.5002 -33.0798 19.1956 77.3813 17.4256 8.51989 TIMING: 4271200 CPU: 13572.8, 0.00316132/step Wall: 13572.8, 0.00316132/step, 0.639991 hours remaining, 238.738281 MB of memory in use. ENERGY: 4271200 3944.8580 20482.6438 14400.1326 233.9338 -203583.3677 3015.9770 0.0000 0.0000 51665.3864 -109840.4361 296.9217 -161505.8225 -109480.9071 298.0272 -51.9932 -22.5023 760575.6063 -2.8646 -2.8058 PRESSURE: 4271400 -29.5229 -148.21 51.6192 -148.211 131.574 -45.3116 51.6188 -45.3123 98.8778 GPRESSURE: 4271400 -28.1188 -31.437 -10.9269 -143.239 222.84 31.8267 239.972 -27.4989 99.2132 PRESSAVG: 4271400 10.8911 -29.5846 -10.1073 -29.5846 -14.6518 16.2026 -10.1073 16.2026 -1.30586 GPRESSAVG: 4271400 10.8604 -28.2505 -9.62703 -28.8221 -14.9612 15.8427 -10.906 17.6856 -0.707144 TIMING: 4271400 CPU: 13573.4, 0.00316914/step Wall: 13573.4, 0.00316914/step, 0.641398 hours remaining, 238.738281 MB of memory in use. ENERGY: 4271400 3960.0248 20543.8690 14470.9808 248.4683 -203453.8181 2571.0312 0.0000 0.0000 52018.7197 -109640.7243 298.9523 -161659.4440 -109280.1030 298.6952 66.9761 97.9780 758721.7757 -1.6889 -1.6027 PRESSURE: 4271600 -166.481 -133.312 21.5714 -133.313 -249.801 149.797 21.5708 149.797 37.3075 GPRESSURE: 4271600 -107.535 -122.012 86.7754 -131.885 -257.052 123.074 -112.821 199.177 71.7058 PRESSAVG: 4271600 -53.6661 -27.2547 -23.0389 -27.2547 68.4236 42.573 -23.0389 42.573 -2.72495 GPRESSAVG: 4271600 -53.6836 -28.6081 -25.4627 -27.6978 68.3441 41.6614 -23.9801 42.045 -3.23202 TIMING: 4271600 CPU: 13574.1, 0.00317422/step Wall: 13574.1, 0.00317422/step, 0.642251 hours remaining, 238.738281 MB of memory in use. ENERGY: 4271600 3953.3181 20454.1127 14443.0708 235.2124 -203042.6663 2455.4986 0.0000 0.0000 51930.1212 -109571.3325 298.4431 -161501.4537 -109212.8703 298.3705 -126.3249 -97.6269 760349.6701 4.0108 3.8095 PRESSURE: 4271800 90.3304 170.322 -156.128 170.323 238.384 -20.1871 -156.128 -20.1876 2.50467 GPRESSURE: 4271800 111.942 66.9084 -56.6277 -5.69259 216.238 -16.6284 79.1164 18.0547 86.3746 PRESSAVG: 4271800 31.5676 -18.282 -71.5093 -18.282 13.0005 49.1637 -71.5092 49.1636 -12.4417 GPRESSAVG: 4271800 31.3976 -17.307 -71.7119 -18.4739 12.2379 50.7396 -68.3009 51.8926 -11.596 TIMING: 4271800 CPU: 13574.7, 0.00316235/step Wall: 13574.7, 0.00316235/step, 0.639673 hours remaining, 238.738281 MB of memory in use. ENERGY: 4271800 3897.4045 20479.3607 14406.5454 257.1881 -203216.0127 2607.0132 0.0000 0.0000 51930.9659 -109637.5350 298.4480 -161568.5008 -109277.0772 298.9549 110.4063 138.1849 760663.3035 10.7088 10.6799 PRESSURE: 4272000 -1.1494 -100.281 145.655 -100.281 367.198 -27.4634 145.653 -27.4636 262.432 GPRESSURE: 4272000 60.8996 -58.9415 137.659 -136.718 413.452 78.8104 1.85749 78.9305 247.606 PRESSAVG: 4272000 0.117297 -60.6503 -7.55388 -60.6503 -6.78398 84.4831 -7.55394 84.4831 5.09027 GPRESSAVG: 4272000 1.52828 -60.498 -6.05099 -61.3208 -5.96394 86.6172 -8.55498 80.5874 3.45917 TIMING: 4272000 CPU: 13575.3, 0.00315923/step Wall: 13575.3, 0.00315923/step, 0.638866 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4272000 3986.4986 20397.7144 14563.6443 251.5861 -203271.1558 2624.9330 0.0000 0.0000 51830.9269 -109615.8526 297.8730 -161446.7795 -109262.2536 298.8564 209.4937 240.6523 762410.5209 -0.5255 -0.3255 PRESSURE: 4272200 -143.018 -183.768 5.52116 -183.769 -54.6467 56.6246 5.5213 56.6241 569.95 GPRESSURE: 4272200 -79.797 -102.735 24.9928 -85.772 14.0803 -76.2186 36.4672 26.6187 506.397 PRESSAVG: 4272200 0.500776 -74.8837 -50.5318 -74.8837 -17.5661 41.0315 -50.5318 41.0316 -3.61458 GPRESSAVG: 4272200 -0.55386 -75.6188 -49.7191 -72.0025 -17.84 37.9323 -53.1805 42.1953 -2.17425 TIMING: 4272200 CPU: 13576, 0.00317253/step Wall: 13576, 0.00317253/step, 0.641379 hours remaining, 238.738281 MB of memory in use. ENERGY: 4272200 3954.9103 20533.2375 14489.1521 246.2953 -203678.7831 2750.7751 0.0000 0.0000 51982.3824 -109722.0304 298.7435 -161704.4128 -109369.1086 298.9387 124.0950 146.8933 760224.9682 -6.8933 -6.8560 LDB: ============= START OF LOAD BALANCING ============== 13588.4 LDB: ============== END OF LOAD BALANCING =============== 13588.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13588.4 LDB: ============= START OF LOAD BALANCING ============== 13588.7 LDB: Largest compute 7075 load 0.036102 is 18.4% of average load 0.196113 LDB: Average compute 0.004410 is 2.2% of average load 0.196113 LDB: TIME 13588.7 LOAD: AVG 0.196113 MAX 0.219009 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13588.7 LOAD: AVG 0.196113 MAX 0.219009 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 13588.7 LOAD: AVG 0.196113 MAX 0.219009 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13588.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13588.7 PRESSURE: 4272400 281.497 139.951 -54.6571 139.951 -125.001 173.307 -54.6575 173.307 -244.201 GPRESSURE: 4272400 305.029 89.9149 -90.4221 34.4543 -83.3128 105.442 107.722 74.7796 -217.939 PRESSAVG: 4272400 40.0011 15.7017 -39.3631 15.7017 -39.9576 31.4382 -39.3631 31.4383 2.22196 GPRESSAVG: 4272400 40.565 15.1974 -40.6048 15.0654 -39.9486 32.7749 -36.3107 31.0751 1.95099 TIMING: 4272400 CPU: 13576.6, 0.00335236/step Wall: 13576.6, 0.00335236/step, 0.677548 hours remaining, 238.355469 MB of memory in use. ENERGY: 4272400 3928.4244 20531.9045 14428.4557 254.4372 -203560.5460 2697.4099 0.0000 0.0000 51864.0162 -109855.8982 298.0632 -161719.9144 -109503.4972 298.8054 -29.2350 1.2590 761459.8130 0.7552 0.8558 PRESSURE: 4272600 -12.7282 9.06294 124.875 9.06303 -166.493 -49.6951 124.875 -49.6957 -407.957 GPRESSURE: 4272600 59.3901 -25.8862 192.57 7.68745 -183.849 -11.875 100.168 42.5521 -375.597 PRESSAVG: 4272600 22.6434 -81.9072 34.8547 -81.9072 -30.3471 -36.6236 34.8547 -36.6235 -6.71085 GPRESSAVG: 4272600 21.8799 -81.402 34.4986 -84.5575 -29.5111 -36.9503 34.8531 -34.7816 -6.08904 TIMING: 4272600 CPU: 13577.3, 0.00316635/step Wall: 13577.3, 0.00316635/step, 0.639778 hours remaining, 238.558594 MB of memory in use. ENERGY: 4272600 3963.6593 20639.6921 14396.9374 244.6899 -203568.3217 2584.4101 0.0000 0.0000 52001.4136 -109737.5193 298.8528 -161738.9330 -109368.4335 298.1841 -195.7261 -166.6853 762477.6140 -4.8048 -4.5734 PRESSURE: 4272800 -112.929 -13.837 213.07 -13.8358 77.0049 -201.338 213.07 -201.338 5.78033 GPRESSURE: 4272800 -22.8066 -35.832 261.304 -59.2251 -13.306 -240.641 117.736 -116.145 102.12 PRESSAVG: 4272800 4.97222 -46.9322 -14.8123 -46.9322 -21.4082 -31.3134 -14.8122 -31.3134 5.28139 GPRESSAVG: 4272800 6.08861 -48.1501 -14.6087 -45.045 -21.0882 -31.341 -19.4819 -31.9587 4.16949 TIMING: 4272800 CPU: 13577.9, 0.00317107/step Wall: 13577.9, 0.00317107/step, 0.640557 hours remaining, 238.558594 MB of memory in use. ENERGY: 4272800 4061.6864 20507.0948 14385.2268 268.2720 -203465.9799 2617.2086 0.0000 0.0000 51960.1381 -109666.3532 298.6156 -161626.4913 -109312.6859 299.0224 -10.0478 22.0025 760507.7311 -3.7182 -3.6100 PRESSURE: 4273000 219.344 -36.414 -169.788 -36.4134 87.4466 196.799 -169.788 196.798 -166.297 GPRESSURE: 4273000 250.948 -44.7885 -127.255 -22.1542 90.2078 93.0011 -61.9268 72.2944 -113.433 PRESSAVG: 4273000 21.5323 -26.7044 25.7014 -26.7044 -18.7335 11.6952 25.7014 11.6952 4.85907 GPRESSAVG: 4273000 19.4821 -25.9769 25.4479 -27.1782 -17.6024 12.4727 28.9019 11.4027 5.33927 TIMING: 4273000 CPU: 13578.5, 0.0031781/step Wall: 13578.5, 0.0031781/step, 0.6418 hours remaining, 238.558594 MB of memory in use. ENERGY: 4273000 3955.4620 20460.1442 14410.6996 267.4668 -203426.2754 2565.1060 0.0000 0.0000 52188.0794 -109579.3174 299.9256 -161767.3967 -109206.8242 298.8389 46.8313 75.9076 760700.7065 2.5526 2.4063 PRESSURE: 4273200 429.515 20.9222 -7.3239 20.9214 205.806 141.559 -7.32324 141.559 346.353 GPRESSURE: 4273200 492.778 -74.9031 16.8229 20.1713 135.369 141.714 94.2423 93.5423 431.356 PRESSAVG: 4273200 48.9439 -58.6256 -34.8365 -58.6256 -42.647 24.2492 -34.8365 24.2492 -5.80194 GPRESSAVG: 4273200 48.4051 -59.6304 -34.3172 -58.7102 -43.0851 24.133 -33.8056 23.227 -4.91668 TIMING: 4273200 CPU: 13579.2, 0.00316704/step Wall: 13579.2, 0.00316704/step, 0.639391 hours remaining, 238.558594 MB of memory in use. ENERGY: 4273200 3913.5724 20513.5764 14462.3195 256.5412 -203230.0611 2508.7003 0.0000 0.0000 52152.6200 -109422.7311 299.7218 -161575.3512 -109067.4606 299.0193 327.2244 353.1678 759549.2593 0.1650 0.1344 PRESSURE: 4273400 146.084 -130.549 -122.655 -130.549 132.108 -38.6128 -122.655 -38.6128 279.75 GPRESSURE: 4273400 270.243 -140.82 -80.7104 -74.9089 125.658 -19.1726 -116.57 -4.65572 250.995 PRESSAVG: 4273400 5.3907 -65.5066 40.2624 -65.5066 29.8377 38.3479 40.2624 38.3479 -3.11549 GPRESSAVG: 4273400 6.73435 -64.6706 39.5441 -65.7148 28.445 37.9737 38.7859 39.4832 -2.87487 TIMING: 4273400 CPU: 13579.8, 0.00314838/step Wall: 13579.8, 0.00314838/step, 0.635449 hours remaining, 238.558594 MB of memory in use. ENERGY: 4273400 3933.1418 20671.9606 14482.8124 221.4237 -203335.3485 2695.3561 0.0000 0.0000 52121.5555 -109209.0985 299.5433 -161330.6540 -108841.3017 299.6498 185.9803 215.6320 760519.6883 10.7043 10.7682 PRESSURE: 4273600 29.9845 131.49 96.9893 131.49 -105.176 202.879 96.9897 202.878 405.363 GPRESSURE: 4273600 7.13876 153.349 64.8854 115.929 34.1832 128.679 187.902 85.8436 392.198 PRESSAVG: 4273600 -23.9566 -63.672 -19.4149 -63.672 2.55031 21.0981 -19.4149 21.0981 5.96015 GPRESSAVG: 4273600 -23.8049 -65.3142 -20.2116 -62.4108 3.67919 21.1615 -19.19 21.6444 5.16092 TIMING: 4273600 CPU: 13580.4, 0.00315237/step Wall: 13580.4, 0.00315237/step, 0.636079 hours remaining, 238.558594 MB of memory in use. ENERGY: 4273600 4036.1621 20580.3382 14483.5108 239.5093 -203481.2415 2833.3513 0.0000 0.0000 52138.1811 -109170.1888 299.6388 -161308.3698 -108809.2524 299.7819 110.0572 144.5066 758568.4098 -5.1487 -4.9883 PRESSURE: 4273800 -159.474 -97.8625 -10.4138 -97.8635 75.8492 -87.776 -10.4139 -87.7762 78.6511 GPRESSURE: 4273800 -124.238 -39.0422 -65.9742 -99.2555 138.127 -63.4398 146.739 -141.626 83.9908 PRESSAVG: 4273800 -72.8799 -48.0016 42.9463 -48.0016 37.727 11.128 42.9463 11.128 4.5696 GPRESSAVG: 4273800 -73.2264 -44.4253 42.8549 -50.2223 37.5755 10.9669 43.0676 9.42208 4.74574 TIMING: 4273800 CPU: 13581.1, 0.00318571/step Wall: 13581.1, 0.00318571/step, 0.642628 hours remaining, 238.558594 MB of memory in use. ENERGY: 4273800 4002.9453 20463.6548 14501.3131 233.9835 -203296.2883 2502.9641 0.0000 0.0000 52225.1751 -109366.2524 300.1388 -161591.4275 -108995.1112 299.5677 -1.6578 32.6266 759081.4374 -10.1944 -10.3017 PRESSURE: 4274000 -217.874 54.9601 -183.488 54.9592 -259.505 -136.56 -183.488 -136.559 13.4547 GPRESSURE: 4274000 -132.083 29.8655 -197.566 -74.2923 -375.213 -83.651 -131.732 10.8728 140.021 PRESSAVG: 4274000 45.1308 -43.0372 -7.00731 -43.0371 -12.8667 16.7727 -7.0073 16.7727 -21.5265 GPRESSAVG: 4274000 45.1966 -45.647 -6.33581 -41.0358 -13.1875 16.6144 -5.2711 17.0443 -20.9257 TIMING: 4274000 CPU: 13581.7, 0.00317768/step Wall: 13581.7, 0.00317768/step, 0.640832 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4274000 3969.1839 20612.5106 14427.7448 249.4354 -203002.8517 2374.4244 0.0000 0.0000 52162.0488 -109207.5037 299.7760 -161369.5525 -108853.5231 299.8235 -154.6415 -122.4250 760868.6711 3.5792 3.6945 PRESSURE: 4274200 128.404 1.76328 -17.3096 1.76403 -113.62 -185.227 -17.3098 -185.227 167.997 GPRESSURE: 4274200 80.9491 56.5544 44.7495 -2.28756 37.591 -115.465 -71.657 -41.8776 130.284 PRESSAVG: 4274200 64.381 9.84995 -9.5389 9.84998 -44.6477 27.0051 -9.53885 27.0051 5.36982 GPRESSAVG: 4274200 64.673 11.1016 -11.8097 9.01459 -43.351 28.2276 -9.66685 28.3116 3.87167 TIMING: 4274200 CPU: 13582.4, 0.00318654/step Wall: 13582.4, 0.00318654/step, 0.642441 hours remaining, 238.558594 MB of memory in use. ENERGY: 4274200 4093.9854 20562.2910 14427.6743 250.8973 -203117.2465 2602.4030 0.0000 0.0000 52092.7075 -109087.2880 299.3775 -161179.9954 -108727.3091 300.0892 60.9272 82.9414 761577.5351 8.3677 8.3979 PRESSURE: 4274400 268.553 -194.667 -212.682 -194.667 -62.7176 0.789439 -212.683 0.788994 33.7543 GPRESSURE: 4274400 318.797 -27.0222 -265.623 -113.868 -78.2879 7.26718 6.28588 -39.2188 77.1552 PRESSAVG: 4274400 -2.08517 -13.8326 -15.7421 -13.8326 -14.8232 9.27819 -15.7422 9.27813 27.87 GPRESSAVG: 4274400 -2.95355 -13.1624 -13.7416 -12.7376 -14.2053 8.26973 -19.6179 6.31668 27.6923 TIMING: 4274400 CPU: 13583, 0.00316135/step Wall: 13583, 0.00316135/step, 0.637187 hours remaining, 238.558594 MB of memory in use. ENERGY: 4274400 3995.1750 20657.6244 14483.2533 248.8388 -203235.9322 2623.7604 0.0000 0.0000 52120.6871 -109106.5932 299.5383 -161227.2804 -108751.9037 299.9181 79.8632 105.8880 761637.2082 3.6539 3.5111 PRESSURE: 4274600 -135.405 244.051 -71.7013 244.05 -188.864 -104.856 -71.7018 -104.855 272.076 GPRESSURE: 4274600 -152.331 130.502 -45.1269 270.986 -128.617 -86.0239 -114.248 -120.958 296.131 PRESSAVG: 4274600 14.2245 -28.0393 -2.45491 -28.0393 -11.9413 -38.7493 -2.45494 -38.7493 -18.6948 GPRESSAVG: 4274600 14.973 -27.4468 -0.697123 -30.1833 -13.427 -39.6762 -0.740059 -37.1133 -18.0295 TIMING: 4274600 CPU: 13583.6, 0.00315888/step Wall: 13583.6, 0.00315889/step, 0.636515 hours remaining, 238.558594 MB of memory in use. ENERGY: 4274600 4009.2902 20516.3122 14477.1637 247.7394 -203193.3698 2485.8775 0.0000 0.0000 52343.7315 -109113.2553 300.8201 -161456.9868 -108742.6379 300.3850 -17.3977 5.0611 760353.0801 -5.4705 -5.4945 PRESSURE: 4274800 -36.863 -239.788 -178.481 -239.788 163.937 -19.2013 -178.48 -19.2015 77.9898 GPRESSURE: 4274800 116.252 32.1464 -10.5748 -303.754 118.164 -19.7111 -171.42 -28.2146 51.6727 PRESSAVG: 4274800 -34.2684 -30.5675 -14.0304 -30.5676 -17.4822 -36.8866 -14.0304 -36.8866 -0.917555 GPRESSAVG: 4274800 -33.6488 -31.0127 -15.123 -28.7502 -17.8537 -35.667 -13.3955 -35.3636 -1.57326 TIMING: 4274800 CPU: 13584.2, 0.00316924/step Wall: 13584.2, 0.00316924/step, 0.638426 hours remaining, 238.558594 MB of memory in use. ENERGY: 4274800 4034.3219 20646.7479 14422.8201 228.5927 -203404.0048 2645.5444 0.0000 0.0000 52406.7284 -109019.2496 301.1822 -161425.9780 -108663.0450 300.1106 68.3546 95.3628 759156.1190 -17.5560 -17.6919 PRESSURE: 4275000 16.3541 83.0414 -225 83.0405 260.148 141.396 -225.001 141.397 384.033 GPRESSURE: 4275000 58.8005 62.6689 -286.726 120.711 300.953 75.0807 -220.474 154.502 396.454 PRESSAVG: 4275000 36.5668 -5.90538 -26.7586 -5.90536 -42.0158 -37.5986 -26.7586 -37.5986 9.20821 GPRESSAVG: 4275000 35.544 -6.53444 -28.5429 -7.30817 -42.1012 -39.4704 -25.5916 -37.0571 10.0745 TIMING: 4275000 CPU: 13584.9, 0.00314917/step Wall: 13584.9, 0.00314917/step, 0.634207 hours remaining, 238.558594 MB of memory in use. ENERGY: 4275000 4004.4389 20620.0381 14456.3158 238.0596 -202842.6451 2405.5687 0.0000 0.0000 52285.7226 -108832.5013 300.4868 -161118.2240 -108466.7800 300.6195 220.1786 252.0693 760803.0776 1.2531 1.1724 PRESSURE: 4275200 30.4988 -121.85 68.7551 -121.85 8.30622 -51.5587 68.7547 -51.5586 272.2 GPRESSURE: 4275200 154.074 -89.3119 17.519 -61.2709 10.7576 -72.3027 69.5874 -14.6658 236.508 PRESSAVG: 4275200 25.7707 14.3432 -33.6255 14.3432 16.6023 15.2586 -33.6255 15.2587 3.36645 GPRESSAVG: 4275200 25.481 13.8934 -32.9535 16.2331 15.9933 15.5483 -34.3827 14.4467 3.60956 TIMING: 4275200 CPU: 13585.5, 0.00315853/step Wall: 13585.5, 0.00315853/step, 0.635917 hours remaining, 238.558594 MB of memory in use. ENERGY: 4275200 3923.6030 20661.9705 14440.8726 230.5448 -203201.6587 2644.0505 0.0000 0.0000 52519.0181 -108781.5992 301.8275 -161300.6173 -108417.6672 300.9654 103.6683 133.7799 761375.2509 15.2465 15.0280 PRESSURE: 4275400 205.182 127.921 -105.775 127.92 182.604 173.258 -105.774 173.258 217.735 GPRESSURE: 4275400 298.2 151.944 -23.359 144.607 227.066 142.422 -134.637 170.042 180.745 PRESSAVG: 4275400 18.2874 -2.609 35.3531 -2.60902 -5.33701 -16.4331 35.3531 -16.433 25.2568 GPRESSAVG: 4275400 19.5702 -3.31618 35.8972 -2.48099 -6.01205 -16.866 34.9895 -16.1123 24.6377 TIMING: 4275400 CPU: 13586.1, 0.00317269/step Wall: 13586.1, 0.00317269/step, 0.638591 hours remaining, 238.558594 MB of memory in use. ENERGY: 4275400 3957.6041 20487.7211 14475.6644 250.6720 -203012.9163 2540.9976 0.0000 0.0000 52520.1863 -108780.0708 301.8342 -161300.2570 -108410.3366 301.0503 201.8403 235.3366 760257.4917 12.7357 12.7319 PRESSURE: 4275600 195.065 119.443 -105.864 119.443 172.385 -36.6207 -105.864 -36.6202 -59.5476 GPRESSURE: 4275600 186.185 84.6776 -149.863 144.881 220.447 -106.536 -119.795 -43.8467 -17.8882 PRESSAVG: 4275600 7.98012 -3.13067 -0.339562 -3.1307 -23.2318 24.8413 -0.339586 24.8414 7.28868 GPRESSAVG: 4275600 6.78542 -2.68393 -1.59055 -2.59287 -22.1412 26.5541 -1.08686 22.0325 7.2973 TIMING: 4275600 CPU: 13586.8, 0.00317516/step Wall: 13586.8, 0.00317516/step, 0.638913 hours remaining, 238.558594 MB of memory in use. ENERGY: 4275600 3924.1581 20538.2977 14474.5395 280.5289 -203186.2695 2712.5629 0.0000 0.0000 52188.3096 -109067.8728 299.9269 -161256.1824 -108692.0984 300.9434 102.6340 129.5813 760623.5858 -2.6543 -2.6862 PRESSURE: 4275800 -16.2626 -64.3537 -194.539 -64.3532 -223.742 98.6646 -194.539 98.6649 -539.53 GPRESSURE: 4275800 18.0931 -41.74 -208.775 -64.8216 -228.042 59.5159 -252.118 12.1177 -504.211 PRESSAVG: 4275800 47.118 25.2514 -3.97276 25.2513 -70.0439 -7.34718 -3.97276 -7.34715 3.9206 GPRESSAVG: 4275800 46.8832 23.9559 -3.76894 22.4481 -69.5821 -7.21815 -5.16798 -6.04176 2.74878 TIMING: 4275800 CPU: 13587.4, 0.00316457/step Wall: 13587.4, 0.00316457/step, 0.636605 hours remaining, 238.558594 MB of memory in use. ENERGY: 4275800 4010.9476 20679.9914 14458.3194 259.5865 -202929.0722 2211.4548 0.0000 0.0000 52158.9119 -109149.8606 299.7580 -161308.7725 -108778.2018 300.5275 -259.8448 -238.0535 761057.3248 -6.3351 -6.6500 PRESSURE: 4276000 354.531 -54.4568 227.235 -54.4575 -328.397 -94.616 227.234 -94.6156 433.891 GPRESSURE: 4276000 338.645 -97.7608 204.649 -20.2266 -246.382 6.5107 182.623 33.9324 458.85 PRESSAVG: 4276000 81.6376 -9.42064 10.7417 -9.42059 -90.9752 -4.71457 10.7417 -4.7146 7.26073 GPRESSAVG: 4276000 82.5011 -8.17218 9.15944 -8.41257 -91.4288 -5.82105 12.8497 -4.41077 7.71379 TIMING: 4276000 CPU: 13588, 0.00316408/step Wall: 13588, 0.00316408/step, 0.636332 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4276000 3977.0584 20558.3916 14530.3184 252.0533 -203046.0755 2282.6173 0.0000 0.0000 52572.1002 -108873.5363 302.1326 -161445.6365 -108505.8847 300.6191 153.3417 183.7046 760957.3288 -0.6923 -0.4046 PRESSURE: 4276200 202.92 98.6376 -232.16 98.6368 69.2971 -23.539 -232.16 -23.5392 -216.417 GPRESSURE: 4276200 246.939 110.808 -153.824 198.139 96.9362 1.1793 -64.6978 3.22474 -199.688 PRESSAVG: 4276200 61.6996 -35.313 17.3018 -35.313 -41.5208 -16.8473 17.3019 -16.8473 3.19221 GPRESSAVG: 4276200 62.3839 -34.6907 19.555 -34.7244 -41.5591 -15.4104 16.8273 -17.8926 2.45621 TIMING: 4276200 CPU: 13588.7, 0.00314332/step Wall: 13588.7, 0.00314332/step, 0.631983 hours remaining, 238.558594 MB of memory in use. ENERGY: 4276200 4111.5004 20627.0874 14555.0754 244.0540 -203026.0374 2352.6544 0.0000 0.0000 52291.4497 -108844.2162 300.5197 -161135.6659 -108488.5990 301.4072 18.6002 48.0625 759346.8336 7.7903 7.7603 LDB: ============= START OF LOAD BALANCING ============== 13601.1 LDB: ============== END OF LOAD BALANCING =============== 13601.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13601.1 LDB: ============= START OF LOAD BALANCING ============== 13601.4 LDB: Largest compute 7075 load 0.036308 is 18.5% of average load 0.196132 LDB: Average compute 0.004385 is 2.2% of average load 0.196132 LDB: TIME 13601.4 LOAD: AVG 0.196132 MAX 0.216272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13601.4 LOAD: AVG 0.196132 MAX 0.216272 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 13601.4 LOAD: AVG 0.196132 MAX 0.216272 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 13601.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13601.4 PRESSURE: 4276400 -76.605 -166.971 44.4274 -166.971 -120.553 6.19114 44.4269 6.19113 336.498 GPRESSURE: 4276400 -68.6611 -158.899 -8.90163 -211.872 -30.0364 -41.363 51.9318 87.4194 324.144 PRESSAVG: 4276400 42.9449 45.5873 23.1958 45.5872 -66.8828 26.1338 23.1958 26.1338 -6.25648 GPRESSAVG: 4276400 41.024 45.9399 23.3245 44.4791 -66.0303 26.1542 23.4453 27.3307 -4.83133 TIMING: 4276400 CPU: 13589.3, 0.00325221/step Wall: 13589.3, 0.00325221/step, 0.653693 hours remaining, 238.613281 MB of memory in use. ENERGY: 4276400 4087.1423 20569.9398 14438.6947 240.7482 -202864.1441 2342.7257 0.0000 0.0000 52315.7506 -108869.1428 300.6593 -161184.8934 -108500.6983 300.7289 46.4467 75.1488 761414.2140 -10.0648 -9.9459 PRESSURE: 4276600 305.857 -18.0625 -296.06 -18.0624 13.3595 -29.333 -296.06 -29.3347 146.665 GPRESSURE: 4276600 399.952 3.07533 -282.528 101.78 16.8209 -17.1376 -101.299 -37.6115 120.921 PRESSAVG: 4276600 36.7425 -25.4557 -25.8812 -25.4557 12.9282 3.18532 -25.8813 3.18531 4.5115 GPRESSAVG: 4276600 36.6989 -26.2017 -26.2942 -24.6601 12.6623 1.35406 -25.4794 1.78731 4.71677 TIMING: 4276600 CPU: 13590, 0.00316073/step Wall: 13590, 0.00316073/step, 0.635131 hours remaining, 238.816406 MB of memory in use. ENERGY: 4276600 3971.1624 20662.0483 14516.6733 250.0878 -203199.3124 2449.7374 0.0000 0.0000 52249.7173 -109099.8860 300.2798 -161349.6033 -108729.9045 300.5165 155.2939 179.2314 760009.7496 18.0607 18.0260 PRESSURE: 4276800 214.519 -78.0867 234.627 -78.0864 74.0032 -61.781 234.627 -61.781 124.612 GPRESSURE: 4276800 176.859 -44.559 258.573 49.6687 157.909 -31.1972 44.2735 -80.8927 179.901 PRESSAVG: 4276800 65.761 -5.17088 3.16098 -5.17085 -47.0746 6.44415 3.161 6.44406 -7.80968 GPRESSAVG: 4276800 66.6653 -4.35941 4.0017 -3.95573 -47.4286 7.76372 3.13622 7.52496 -8.33542 TIMING: 4276800 CPU: 13590.6, 0.00315595/step Wall: 13590.6, 0.00315595/step, 0.633995 hours remaining, 238.816406 MB of memory in use. ENERGY: 4276800 3995.8971 20565.9948 14435.8080 267.2351 -203329.2705 2413.5915 0.0000 0.0000 52463.5343 -109187.2098 301.5087 -161650.7441 -108819.4341 300.6036 137.7111 171.5564 760575.7868 3.6256 3.6338 PRESSURE: 4277000 163.462 -22.4838 49.5185 -22.4828 -259.39 124.534 49.5177 124.534 -220.165 GPRESSURE: 4277000 157.144 -78.5984 71.1135 31.3165 -202.261 115.156 -17.8561 14.1969 -167.354 PRESSAVG: 4277000 53.683 -45.048 10.474 -45.048 -67.716 21.9183 10.4739 21.9183 11.3745 GPRESSAVG: 4277000 53.9784 -46.92 10.1257 -46.766 -67.2186 21.7589 11.8221 21.4038 10.5943 TIMING: 4277000 CPU: 13591.2, 0.00317172/step Wall: 13591.2, 0.00317172/step, 0.636988 hours remaining, 238.816406 MB of memory in use. ENERGY: 4277000 4010.6499 20601.2771 14439.3012 244.6750 -202915.6578 2277.4720 0.0000 0.0000 52194.1992 -109148.0833 299.9608 -161342.2825 -108780.6106 300.0137 -105.3645 -70.8237 760656.7162 -0.8862 -0.8819 PRESSURE: 4277200 10.5706 -21.9515 35.0881 -21.9523 42.7778 43.3134 35.0886 43.3124 -60.8049 GPRESSURE: 4277200 64.3812 -62.3316 107.566 -84.324 80.609 22.5887 73.4288 52.4819 -67.0856 PRESSAVG: 4277200 32.4064 -60.3134 35.0518 -60.3134 -31.4761 3.0832 35.0518 3.0833 -39.4862 GPRESSAVG: 4277200 31.6194 -60.0465 33.8483 -58.9712 -31.5605 2.61606 32.6026 5.31017 -38.8069 TIMING: 4277200 CPU: 13591.9, 0.00316766/step Wall: 13591.9, 0.00316766/step, 0.635996 hours remaining, 238.816406 MB of memory in use. ENERGY: 4277200 4083.2835 20522.1662 14543.7902 238.3948 -203167.9173 2355.8560 0.0000 0.0000 52172.0442 -109252.3825 299.8335 -161424.4266 -108895.1119 300.1614 -2.4855 25.9682 760047.7148 -12.8520 -12.9160 PRESSURE: 4277400 10.2303 20.1682 2.47444 20.1689 -209.492 -108.194 2.47414 -108.193 -146.706 GPRESSURE: 4277400 -2.64608 95.2102 46.0787 -52.5361 -138.948 -168.94 37.5606 -45.8631 -112.09 PRESSAVG: 4277400 20.1984 10.0124 -25.344 10.0123 1.69298 14.8845 -25.344 14.8845 11.2937 GPRESSAVG: 4277400 20.5744 8.83288 -24.933 8.25489 0.780654 14.8758 -24.8807 12.7608 12.1123 TIMING: 4277400 CPU: 13592.5, 0.00316432/step Wall: 13592.5, 0.00316432/step, 0.635149 hours remaining, 238.816406 MB of memory in use. ENERGY: 4277400 4008.3990 20544.3098 14420.6251 250.0607 -203719.1572 2774.7088 0.0000 0.0000 52435.9413 -109285.1124 301.3501 -161721.0537 -108936.9019 299.9448 -115.3226 -84.5611 761331.8637 11.0617 11.1558 PRESSURE: 4277600 -96.3593 78.9891 -99.7844 78.989 -136.12 203.236 -99.7855 203.236 -51.2912 GPRESSURE: 4277600 -49.6736 71.0933 -126.624 123.385 -41.6933 253.297 15.9108 166.487 -116.45 PRESSAVG: 4277600 8.77725 5.4858 10.5416 5.48585 -8.952 35.3111 10.5415 35.3111 28.9037 GPRESSAVG: 4277600 9.12537 9.58524 11.6141 4.47095 -7.41795 35.2436 10.4481 33.8256 27.047 TIMING: 4277600 CPU: 13593.1, 0.00314492/step Wall: 13593.1, 0.00314492/step, 0.631081 hours remaining, 238.816406 MB of memory in use. ENERGY: 4277600 3990.5248 20440.9612 14393.9446 260.2910 -203157.9875 2352.1374 0.0000 0.0000 52130.5927 -109589.5357 299.5952 -161720.1284 -109229.1433 299.6562 -94.5903 -69.2725 758780.3627 9.5763 9.5848 PRESSURE: 4277800 -26.4456 15.6212 -107.269 15.6216 60.9866 65.0264 -107.269 65.0265 -270.132 GPRESSURE: 4277800 -14.3038 1.09856 -104.447 80.145 62.1312 110.324 -186.403 -19.1577 -188.714 PRESSAVG: 4277800 -23.2057 19.1277 56.9553 19.1277 -12.6524 13.7512 56.9553 13.7512 -27.8864 GPRESSAVG: 4277800 -23.2637 18.1629 57.2202 20.0141 -13.4499 14.2205 57.1 16.4484 -26.2377 TIMING: 4277800 CPU: 13593.7, 0.00314907/step Wall: 13593.7, 0.00314907/step, 0.631738 hours remaining, 238.816406 MB of memory in use. ENERGY: 4277800 4029.6333 20652.7076 14477.2945 242.1883 -203484.0616 2512.2023 0.0000 0.0000 52157.0232 -109413.0124 299.7471 -161570.0356 -109050.6587 299.3918 -78.5303 -46.9622 760456.1865 -21.2482 -20.9837 PRESSURE: 4278000 39.3298 -133.983 268.72 -133.983 -186.619 -244.158 268.72 -244.158 262.987 GPRESSURE: 4278000 100.604 -47.0806 223.171 -161.989 -191.196 -285.239 254.885 -258.645 273.821 PRESSAVG: 4278000 -16.098 -1.69759 -19.7263 -1.69763 1.27942 41.2795 -19.7263 41.2795 -1.69213 GPRESSAVG: 4278000 -14.7603 -0.550341 -20.904 -0.941516 1.32186 40.5302 -19.0794 40.8888 -3.22613 TIMING: 4278000 CPU: 13594.4, 0.0031638/step Wall: 13594.4, 0.0031638/step, 0.634517 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4278000 4070.2428 20450.3364 14541.2775 237.8347 -203211.1390 2562.3289 0.0000 0.0000 52210.4804 -109138.6384 300.0543 -161349.1188 -108782.1467 299.6149 38.5660 61.0763 762272.8302 -5.5036 -5.5549 PRESSURE: 4278200 69.5703 -22.224 44.2718 -22.2241 130.085 75.5293 44.2721 75.5297 -3.22468 GPRESSURE: 4278200 84.9831 -25.1924 -61.8916 -131.066 144.189 -47.3079 7.36935 60.0116 18.7899 PRESSAVG: 4278200 48.5637 -41.3574 -53.8455 -41.3574 -14.9913 30.5773 -53.8456 30.5773 -16.2122 GPRESSAVG: 4278200 47.8474 -44.0262 -53.7369 -38.955 -15.6313 30.0326 -52.7371 29.5409 -14.5062 TIMING: 4278200 CPU: 13595, 0.00315213/step Wall: 13595, 0.00315213/step, 0.632001 hours remaining, 238.816406 MB of memory in use. ENERGY: 4278200 4033.0683 20417.9419 14427.8899 236.1084 -203462.0911 2555.2285 0.0000 0.0000 52451.4297 -109340.4245 301.4391 -161791.8542 -108973.0566 300.2647 65.4768 82.6539 760069.5248 5.7867 5.9033 PRESSURE: 4278400 -149.253 150.944 -148.758 150.943 175.348 -191.383 -148.758 -191.381 358.973 GPRESSURE: 4278400 14.2203 122.969 -56.3851 193.553 158.406 -127.269 -118.758 -158.617 280.727 PRESSAVG: 4278400 73.3943 -8.2183 -2.02764 -8.21829 -104.964 -47.6257 -2.02768 -47.6257 10.8923 GPRESSAVG: 4278400 74.0227 -8.68922 -0.354403 -10.9779 -105.027 -45.7521 -5.5927 -48.2566 9.61194 TIMING: 4278400 CPU: 13595.6, 0.00315954/step Wall: 13595.6, 0.00315954/step, 0.633312 hours remaining, 238.816406 MB of memory in use. ENERGY: 4278400 3994.3911 20574.2374 14458.8190 250.6165 -203490.8625 2609.1666 0.0000 0.0000 52291.7649 -109311.8669 300.5215 -161603.6318 -108936.8750 300.1159 128.3560 151.1180 759190.2708 -6.8924 -7.1306 PRESSURE: 4278600 -55.2971 -47.6959 161.885 -47.6963 185.293 -57.1314 161.885 -57.133 397.954 GPRESSURE: 4278600 84.8311 55.4121 113.051 -31.6329 164.664 -57.1194 75.9218 -55.718 358.952 PRESSAVG: 4278600 -53.2705 36.5814 -14.3266 36.5814 32.2939 -24.1981 -14.3265 -24.1981 17.963 GPRESSAVG: 4278600 -54.2595 38.8445 -16.5789 36.8814 34.2649 -25.2066 -10.2091 -24.3091 17.0291 TIMING: 4278600 CPU: 13596.3, 0.00317104/step Wall: 13596.3, 0.00317104/step, 0.635442 hours remaining, 238.816406 MB of memory in use. ENERGY: 4278600 3985.5571 20549.9998 14430.8346 245.7768 -203765.1342 2817.8568 0.0000 0.0000 52449.3545 -109285.7545 301.4272 -161735.1090 -108924.4405 300.1792 175.9835 202.8155 759639.9995 -1.0045 -0.9885 PRESSURE: 4278800 102.283 191.234 -131.888 191.234 -1.94122 88.2686 -131.889 88.2691 122.978 GPRESSURE: 4278800 110.122 85.018 -271.315 262.884 6.14276 47.3419 -160.578 204.457 175.888 PRESSAVG: 4278800 -75.1112 -8.78657 23.4558 -8.78651 55.0301 34.7142 23.4558 34.7143 -13.1253 GPRESSAVG: 4278800 -74.5485 -11.0033 21.5641 -9.18265 52.9177 35.2869 22.7349 35.602 -11.5224 TIMING: 4278800 CPU: 13596.9, 0.00321075/step Wall: 13596.9, 0.00321075/step, 0.64322 hours remaining, 238.816406 MB of memory in use. ENERGY: 4278800 3998.5832 20545.1665 14431.9244 260.0889 -203814.6729 3031.2360 0.0000 0.0000 52263.7474 -109283.9266 300.3605 -161547.6740 -108922.6491 300.0161 74.4399 97.3842 760402.1395 -11.0688 -11.0511 PRESSURE: 4279000 348.878 58.5534 62.051 58.5532 247.004 63.881 62.0514 63.8792 281.069 GPRESSURE: 4279000 419.078 -32.6474 154.71 113.977 296.492 121.791 -4.78173 26.7209 255.424 PRESSAVG: 4279000 -1.27256 5.11035 -38.2485 5.11035 3.67996 -1.24117 -38.2485 -1.24112 -10.5655 GPRESSAVG: 4279000 -0.121368 6.91254 -36.8576 6.94421 4.89923 -1.80677 -37.0565 -1.08468 -12.4995 TIMING: 4279000 CPU: 13597.6, 0.00318073/step Wall: 13597.6, 0.00318073/step, 0.637029 hours remaining, 238.816406 MB of memory in use. ENERGY: 4279000 3935.4837 20532.4291 14469.0533 258.2271 -203135.7715 2690.3279 0.0000 0.0000 52095.2078 -109155.0426 299.3919 -161250.2503 -108805.3682 299.9357 292.3171 323.6646 761132.7644 -2.7194 -2.5739 PRESSURE: 4279200 429.48 -247.445 186.649 -247.445 185.449 53.5713 186.65 53.5707 231.889 GPRESSURE: 4279200 453.044 -147.838 118.374 -169.931 167.962 68.9396 157.676 26.4456 309.141 PRESSAVG: 4279200 45.0013 -19.7163 -17.6471 -19.7164 -20.1587 64.5317 -17.6471 64.5317 31.3965 GPRESSAVG: 4279200 43.8508 -19.2156 -18.588 -20.6484 -19.9475 62.9501 -18.0154 64.9747 32.4231 TIMING: 4279200 CPU: 13598.2, 0.00318113/step Wall: 13598.2, 0.00318113/step, 0.636933 hours remaining, 238.816406 MB of memory in use. ENERGY: 4279200 3873.5087 20638.6139 14503.6327 259.2077 -203197.0306 2562.8958 0.0000 0.0000 52278.3293 -109080.8425 300.4443 -161359.1718 -108715.8850 299.7399 282.2724 310.0490 761506.5806 18.7464 18.7755 PRESSURE: 4279400 213.986 -115.467 -187.63 -115.469 150.619 -81.4239 -187.63 -81.4239 456.659 GPRESSURE: 4279400 294.545 -82.2846 -213.572 -127.844 202.225 -130.204 -129.878 -13.0204 412.716 PRESSAVG: 4279400 33.875 -95.1709 -2.83883 -95.1709 -42.0017 71.3712 -2.8389 71.3712 0.479071 GPRESSAVG: 4279400 34.2848 -96.0616 -1.97221 -96.2897 -42.3139 72.813 -3.95153 71.4285 0.436395 TIMING: 4279400 CPU: 13598.8, 0.00318094/step Wall: 13598.8, 0.00318094/step, 0.636719 hours remaining, 238.816406 MB of memory in use. ENERGY: 4279400 4025.5595 20490.7760 14472.9242 230.4010 -203383.4897 2750.4564 0.0000 0.0000 52266.8245 -109146.5481 300.3782 -161413.3726 -108776.2824 300.4533 273.7548 303.1621 759912.7744 -2.5492 -2.5309 PRESSURE: 4279600 152.315 -309.165 -165.416 -309.166 -387.422 -46.0283 -165.417 -46.0275 -371.27 GPRESSURE: 4279600 177.195 -162.609 -160.468 -206.031 -312.918 14.0081 63.602 -228.42 -379.953 PRESSAVG: 4279600 -38.7268 -17.5363 -11.9313 -17.5363 -12.4224 13.7951 -11.9314 13.7952 17.9358 GPRESSAVG: 4279600 -37.7478 -17.8842 -12.6817 -16.4538 -13.569 14.6558 -12.6374 12.3873 18.3255 TIMING: 4279600 CPU: 13599.5, 0.00318091/step Wall: 13599.5, 0.00318091/step, 0.636536 hours remaining, 238.816406 MB of memory in use. ENERGY: 4279600 4011.0957 20458.4790 14484.9347 270.5643 -203079.3166 2581.0943 0.0000 0.0000 52159.1317 -109114.0169 299.7592 -161273.1486 -108752.8036 300.3149 -202.1255 -171.8922 762909.9020 -11.0711 -10.9971 PRESSURE: 4279800 -58.2976 -74.633 201.943 -74.6333 -99.2564 -7.0759 201.942 -7.07652 -424.566 GPRESSURE: 4279800 -115.91 -89.3489 136.756 -159.458 -29.036 -3.89967 115.161 -94.2836 -338.057 PRESSAVG: 4279800 -29.0001 -23.3532 0.265443 -23.3532 13.4641 7.93892 0.265473 7.93898 9.25966 GPRESSAVG: 4279800 -29.7592 -23.9221 2.64424 -22.2935 15.6176 6.48335 -0.913275 9.76172 7.8373 TIMING: 4279800 CPU: 13600.1, 0.00318475/step Wall: 13600.1, 0.00318475/step, 0.637128 hours remaining, 238.816406 MB of memory in use. ENERGY: 4279800 4048.0277 20511.1639 14471.5989 253.3140 -203184.9170 2477.1803 0.0000 0.0000 52150.2029 -109273.4292 299.7079 -161423.6321 -108919.5595 299.7929 -194.0400 -161.0011 760878.5139 -2.0921 -2.1014 PRESSURE: 4280000 -176.87 53.7916 21.2518 53.7913 54.5228 73.9328 21.2518 73.9322 -361.674 GPRESSURE: 4280000 -80.8164 1.69792 -9.01378 61.6185 -3.28201 57.1388 -10.639 61.4848 -336.378 PRESSAVG: 4280000 -0.209759 -18.0245 -23.3382 -18.0246 2.8024 29.5208 -23.3382 29.5207 11.1019 GPRESSAVG: 4280000 -0.036212 -18.153 -23.7341 -17.9267 2.34069 29.1804 -20.9567 30.3158 10.9701 TIMING: 4280000 CPU: 13600.7, 0.00320486/step Wall: 13600.7, 0.00320486/step, 0.640972 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4280000 4027.0284 20540.5415 14388.3822 257.5448 -203182.9278 2586.1150 0.0000 0.0000 52174.3291 -109208.9869 299.8466 -161383.3160 -108859.5562 300.0413 -161.3402 -140.1589 762237.7150 4.5649 4.4249 PRESSURE: 4280200 473.926 -86.7112 -279.454 -86.7108 -2.09788 143.666 -279.455 143.666 23.1135 GPRESSURE: 4280200 486.897 -47.7497 -357.652 -127.346 61.2726 104.662 -208.003 245.131 52.339 PRESSAVG: 4280200 -56.9786 19.0297 -4.3344 19.0296 1.68908 16.2681 -4.33436 16.2681 -19.8436 GPRESSAVG: 4280200 -56.887 20.7817 -5.54946 18.5852 0.749748 17.063 -3.99226 16.2992 -18.9379 TIMING: 4280200 CPU: 13601.4, 0.00315637/step Wall: 13601.4, 0.00315637/step, 0.631099 hours remaining, 238.816406 MB of memory in use. ENERGY: 4280200 3978.3859 20452.6992 14410.8571 245.4732 -203471.4029 2909.4091 0.0000 0.0000 52275.4176 -109199.1609 300.4275 -161474.5785 -108832.2612 299.5760 164.9804 200.1696 761483.4333 -25.0444 -25.0250 LDB: ============= START OF LOAD BALANCING ============== 13613.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13613.8 LDB: =============== DONE WITH MIGRATION ================ 13613.8 LDB: ============= START OF LOAD BALANCING ============== 13614.1 LDB: Largest compute 7075 load 0.037114 is 18.9% of average load 0.196134 LDB: Average compute 0.004392 is 2.2% of average load 0.196134 LDB: TIME 13614.1 LOAD: AVG 0.196134 MAX 0.215377 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 13614.1 LOAD: AVG 0.196134 MAX 0.215377 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 13614.1 LOAD: AVG 0.196134 MAX 0.215377 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 13614.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13614.1 PRESSURE: 4280400 -199.294 -123.242 311.361 -123.242 -54.3515 -17.7404 311.362 -17.7402 70.4223 GPRESSURE: 4280400 -216.657 -133.373 327.051 -65.6852 25.0132 -101.698 275.956 44.676 70.637 PRESSAVG: 4280400 46.0285 -50.7261 24.7939 -50.7262 -51.8134 -19.1187 24.7939 -19.1188 -16.6355 GPRESSAVG: 4280400 45.7186 -52.4038 26.1326 -52.4463 -51.7707 -21.5865 24.3721 -19.1007 -16.5204 TIMING: 4280400 CPU: 13602, 0.00323841/step Wall: 13602, 0.00323841/step, 0.647322 hours remaining, 238.867188 MB of memory in use. ENERGY: 4280400 3956.5650 20475.4496 14439.4139 260.3800 -203208.0247 2610.9132 0.0000 0.0000 52169.4154 -109295.8876 299.8183 -161465.3030 -108928.6875 299.7571 -61.0743 -40.3356 761255.2286 -7.4735 -7.5242 PRESSURE: 4280600 140.155 -98.5261 -35.4428 -98.527 568.546 -28.7682 -35.4428 -28.7691 190.119 GPRESSURE: 4280600 261.204 -92.4876 -130.896 -153.249 527.408 -33.8961 -51.9269 -17.8401 181.799 PRESSAVG: 4280600 -24.088 -48.2199 -9.01992 -48.2198 7.96781 15.6492 -9.01986 15.6492 18.8007 GPRESSAVG: 4280600 -22.6052 -48.526 -8.11655 -46.2367 7.91734 18.4393 -9.89687 15.1308 17.1622 TIMING: 4280600 CPU: 13602.7, 0.00314908/step Wall: 13602.7, 0.00314908/step, 0.629291 hours remaining, 239.070312 MB of memory in use. ENERGY: 4280600 3926.7774 20608.5332 14415.5504 262.8805 -203110.9941 2653.5391 0.0000 0.0000 52024.2489 -109219.4647 298.9841 -161243.7136 -108855.0892 299.9807 299.6066 323.4704 762014.5655 0.8935 0.8248 PRESSURE: 4280800 154.84 195.942 123.346 195.943 -48.447 109.939 123.347 109.94 6.04647 GPRESSURE: 4280800 181.476 296.31 149.746 158.104 -64.7339 184.267 48.2563 -86.5647 82.6485 PRESSAVG: 4280800 -11.4951 4.59845 -0.292064 4.59843 -0.715945 4.09579 -0.292012 4.09579 -23.9776 GPRESSAVG: 4280800 -12.5608 4.55633 -1.80684 3.70885 -0.934192 2.56121 -0.736124 2.43205 -22.2639 TIMING: 4280800 CPU: 13603.3, 0.00313603/step Wall: 13603.3, 0.00313603/step, 0.626508 hours remaining, 239.070312 MB of memory in use. ENERGY: 4280800 4014.4557 20412.5722 14457.7727 237.4773 -203425.2870 2938.3688 0.0000 0.0000 52126.9144 -109237.7259 299.5741 -161364.6403 -108874.7736 299.7909 37.4800 66.4635 760752.2276 -12.0629 -11.9196 PRESSURE: 4281000 -70.7986 -19.0603 -243.152 -19.0598 -281.316 55.8244 -243.153 55.8253 -417.606 GPRESSURE: 4281000 -141.431 -74.2356 -245.332 -49.0084 -161.43 17.2818 -175.801 177.573 -372.8 PRESSAVG: 4281000 22.4204 -45.5048 -2.03834 -45.5048 17.8275 6.62309 -2.03838 6.62302 27.6888 GPRESSAVG: 4281000 21.8839 -44.9866 -1.38096 -47.2543 19.3045 7.96066 -2.13087 8.94379 26.7948 TIMING: 4281000 CPU: 13603.9, 0.00314187/step Wall: 13603.9, 0.00314187/step, 0.627501 hours remaining, 239.070312 MB of memory in use. ENERGY: 4281000 4001.0504 20538.2780 14439.6931 223.4992 -202986.4184 2519.0982 0.0000 0.0000 52083.5806 -109181.2188 299.3251 -161264.7994 -108818.1075 299.8490 -256.5735 -225.2203 762287.9962 22.6455 22.6611 PRESSURE: 4281200 -266.283 93.898 3.62403 93.8988 157.323 78.9707 3.62366 78.9699 109.187 GPRESSURE: 4281200 -219.711 120.024 -58.9795 -54.0742 131.885 122.619 3.89879 -41.5634 181.405 PRESSAVG: 4281200 -65.5052 -28.6239 47.8191 -28.6238 63.7691 -0.106147 47.8192 -0.106139 12.7276 GPRESSAVG: 4281200 -65.37 -28.5354 46.8243 -27.6353 62.7232 0.0595455 48.4259 -0.615971 13.6322 TIMING: 4281200 CPU: 13604.5, 0.00314389/step Wall: 13604.5, 0.00314389/step, 0.62773 hours remaining, 239.070312 MB of memory in use. ENERGY: 4281200 4016.1637 20560.1999 14490.9268 245.1975 -203286.8240 2514.0047 0.0000 0.0000 52224.1968 -109236.1346 300.1332 -161460.3314 -108880.3454 299.9305 0.0759 31.1926 762203.2696 3.6638 3.6618 PRESSURE: 4281400 -210.872 75.5888 -145.263 75.5889 -162.216 57.6675 -145.263 57.6687 152.253 GPRESSURE: 4281400 -99.1839 -45.0201 -142.88 68.2158 -148.966 15.3643 -18.2837 195.789 125.037 PRESSAVG: 4281400 4.88848 -14.7913 -14.1961 -14.7913 42.9462 -27.7873 -14.1961 -27.7873 -11.7377 GPRESSAVG: 4281400 4.20727 -12.8307 -12.3306 -14.264 42.8769 -29.1057 -13.6118 -27.4096 -11.5994 TIMING: 4281400 CPU: 13605.2, 0.00315512/step Wall: 13605.2, 0.00315512/step, 0.629797 hours remaining, 239.070312 MB of memory in use. ENERGY: 4281400 3998.4721 20236.3101 14526.2410 249.1623 -203009.4559 2335.1051 0.0000 0.0000 52349.6755 -109314.4898 300.8543 -161664.1653 -108950.1438 299.7233 -73.6116 -41.0376 760598.1754 12.0323 11.8283 PRESSURE: 4281600 31.9919 -1.49097 -170.704 -1.49066 -143.65 -65.03 -170.704 -65.0306 120.158 GPRESSURE: 4281600 34.042 -84.2404 -208.952 -131.824 -114.038 -182.63 -250.529 -126.115 158.938 PRESSAVG: 4281600 43.3114 -26.7609 3.02492 -26.7608 -45.3316 6.1488 3.02492 6.14878 30.4422 GPRESSAVG: 4281600 45.2062 -29.761 1.81142 -25.3244 -45.8858 6.06544 4.31655 5.40138 30.3917 TIMING: 4281600 CPU: 13605.8, 0.0031588/step Wall: 13605.8, 0.0031588/step, 0.630356 hours remaining, 239.070312 MB of memory in use. ENERGY: 4281600 4028.1998 20534.8318 14484.6658 237.1517 -203510.9809 2908.2782 0.0000 0.0000 52055.9903 -109261.8634 299.1665 -161317.8537 -108901.0900 299.3917 2.8335 26.3139 761955.4181 9.4740 9.9040 PRESSURE: 4281800 197.941 26.1904 -46.4511 26.1898 -5.6439 -137.594 -46.4514 -137.594 -322.814 GPRESSURE: 4281800 126.187 34.0685 -58.2829 -50.0418 65.718 -101.314 -93.5701 15.3842 -221.086 PRESSAVG: 4281800 10.5494 -18.9892 11.4201 -18.9892 -16.4646 6.14427 11.4202 6.14432 -45.4515 GPRESSAVG: 4281800 9.74266 -18.8765 13.8052 -19.5421 -15.3895 6.85729 9.23258 7.52354 -45.3658 TIMING: 4281800 CPU: 13606.4, 0.00315243/step Wall: 13606.4, 0.00315243/step, 0.62891 hours remaining, 239.070312 MB of memory in use. ENERGY: 4281800 3972.7900 20577.8816 14544.0996 256.8644 -203563.3927 2933.3517 0.0000 0.0000 52112.3059 -109166.0995 299.4901 -161278.4054 -108806.3277 299.8343 -43.5058 -9.7270 761776.4821 -17.1223 -17.0042 PRESSURE: 4282000 143.933 -72.5721 33.7164 -72.5719 159.315 -15.9821 33.7163 -15.9834 -129.613 GPRESSURE: 4282000 197.491 -101.484 -3.12138 -161.628 203.556 22.9527 136.928 56.3922 -127.26 PRESSAVG: 4282000 28.0236 -22.146 29.0723 -22.1461 2.91927 -9.9521 29.0723 -9.9521 3.90755 GPRESSAVG: 4282000 29.0486 -23.3376 28.7303 -21.7118 3.24515 -9.94545 32.6253 -10.9768 2.20188 TIMING: 4282000 CPU: 13607.1, 0.00317262/step Wall: 13607.1, 0.00317262/step, 0.632762 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4282000 4005.5739 20360.9525 14502.9332 237.7913 -203161.2096 2579.1923 0.0000 0.0000 52217.9385 -109256.8280 300.0972 -161474.7665 -108889.0140 300.2628 57.8781 91.2625 761545.6286 11.6168 11.4985 PRESSURE: 4282200 101.192 -47.2066 -60.9241 -47.2063 -2.66412 -14.826 -60.9239 -14.8265 4.69378 GPRESSURE: 4282200 213.146 55.4132 -50.6479 19.3669 -50.9554 3.81561 -157.432 -18.9076 9.51302 PRESSAVG: 4282200 -4.36387 -7.93988 -18.3509 -7.93987 17.628 -0.321779 -18.3509 -0.321717 -11.4929 GPRESSAVG: 4282200 -5.18091 -6.08784 -18.3526 -8.63006 17.6261 -0.410222 -22.2003 -1.15296 -10.8413 TIMING: 4282200 CPU: 13607.7, 0.00316312/step Wall: 13607.7, 0.00316312/step, 0.630691 hours remaining, 239.070312 MB of memory in use. ENERGY: 4282200 3866.0029 20578.3730 14445.1274 237.8549 -203094.9548 2351.6264 0.0000 0.0000 52279.7123 -109336.2579 300.4522 -161615.9701 -108972.7977 299.6171 34.4073 57.2347 760542.3265 0.5904 0.5346 PRESSURE: 4282400 -98.7212 -4.98964 -107.937 -4.99014 49.205 374.8 -107.937 374.8 -315.405 GPRESSURE: 4282400 27.1372 -100.878 -116.382 -43.6895 38.9712 411.472 -88.6375 352.488 -356.21 PRESSAVG: 4282400 -44.6108 -10.1682 16.4483 -10.1681 86.2456 -61.1087 16.4483 -61.1087 3.17398 GPRESSAVG: 4282400 -43.0568 -9.57798 13.9263 -10.7578 85.2728 -58.6727 21.0912 -62.1209 2.64208 TIMING: 4282400 CPU: 13608.3, 0.00319154/step Wall: 13608.3, 0.00319154/step, 0.63618 hours remaining, 239.070312 MB of memory in use. ENERGY: 4282400 4028.7064 20563.1242 14405.0781 248.9519 -203600.2341 2600.9987 0.0000 0.0000 52399.9506 -109353.4242 301.1432 -161753.3748 -108979.5349 299.7171 -121.6403 -96.7007 761702.3783 14.9363 14.9527 PRESSURE: 4282600 19.7963 -116.018 156.359 -116.018 -245.912 -59.0804 156.359 -59.0809 263.038 GPRESSURE: 4282600 -25.0815 -175.12 146.056 -46.5585 -104.993 32.4684 160.319 -99.0674 256.46 PRESSAVG: 4282600 57.9856 -47.2791 4.05028 -47.279 -11.4055 13.4847 4.05031 13.4847 -15.5723 GPRESSAVG: 4282600 58.2902 -47.0169 4.79881 -46.9241 -9.99188 10.1846 0.874977 15.9781 -16.9721 TIMING: 4282600 CPU: 13609, 0.00319171/step Wall: 13609, 0.00319171/step, 0.636036 hours remaining, 239.070312 MB of memory in use. ENERGY: 4282600 3964.7543 20489.4162 14494.4127 248.5257 -203313.2781 2646.2985 0.0000 0.0000 52373.1239 -109096.7466 300.9891 -161469.8706 -108732.4911 300.8254 12.3074 42.1287 761578.7301 10.3359 10.4421 PRESSURE: 4282800 -299.373 -61.8879 -81.8532 -61.8884 -160.909 -133.848 -81.8543 -133.846 -444.707 GPRESSURE: 4282800 -237.918 -54.6677 -96.9291 42.5734 -107.176 -184.801 -65.5303 -115.584 -480.756 PRESSAVG: 4282800 -58.0156 9.02975 -9.47211 9.02981 4.61635 -1.75955 -9.47208 -1.75955 0.0761935 GPRESSAVG: 4282800 -58.2506 9.61219 -8.08449 7.82744 2.92836 -0.289872 -10.0103 -2.39792 1.32262 TIMING: 4282800 CPU: 13609.6, 0.0031465/step Wall: 13609.6, 0.0031465/step, 0.626853 hours remaining, 239.070312 MB of memory in use. ENERGY: 4282800 4008.0900 20620.5258 14402.0840 245.1274 -202872.7017 2261.1568 0.0000 0.0000 51941.4311 -109394.2865 298.5081 -161335.7176 -109034.6756 299.7062 -301.6628 -275.2832 764527.4944 -17.7743 -17.9999 PRESSURE: 4283000 9.77956 -20.955 169.344 -20.9545 281.91 80.1474 169.344 80.1474 202.958 GPRESSURE: 4283000 27.8772 -46.6017 177.888 -73.9531 349.747 67.7994 165.382 154.409 195.078 PRESSAVG: 4283000 -3.07031 -18.9474 -10.2879 -18.9474 6.0622 -3.09448 -10.2879 -3.09443 -5.35717 GPRESSAVG: 4283000 -3.3266 -20.1267 -10.2877 -16.0457 6.91642 -4.39335 -10.8322 -3.57357 -6.24903 TIMING: 4283000 CPU: 13610.2, 0.00314889/step Wall: 13610.2, 0.00314889/step, 0.627153 hours remaining, 239.070312 MB of memory in use. ENERGY: 4283000 4074.7239 20556.3812 14408.2253 246.0411 -203564.3045 2670.9479 0.0000 0.0000 52123.5179 -109484.4673 299.5546 -161607.9851 -109118.7965 299.1559 164.8826 190.9009 760837.7931 -0.7884 -0.8864 PRESSURE: 4283200 -146.775 75.2621 137.678 75.2624 -1.97438 -212.915 137.678 -212.914 -39.9809 GPRESSURE: 4283200 -151.98 120.037 197.26 -34.6698 13.8921 -205.132 214.128 14.3658 41.4211 PRESSAVG: 4283200 37.8828 -30.6306 43.0725 -30.6306 -37.2018 19.0212 43.0724 19.0213 -25.2315 GPRESSAVG: 4283200 37.4601 -30.3131 42.419 -31.4283 -37.1079 21.0884 41.6655 19.0814 -23.9386 TIMING: 4283200 CPU: 13610.9, 0.00316685/step Wall: 13610.9, 0.00316685/step, 0.630556 hours remaining, 239.070312 MB of memory in use. ENERGY: 4283200 3901.7724 20538.2994 14468.4436 237.1430 -203505.9124 2583.6767 0.0000 0.0000 52243.9866 -109532.5907 300.2469 -161776.5774 -109169.8703 299.5030 -62.9101 -32.2224 762775.5680 -8.1835 -7.8621 PRESSURE: 4283400 365.378 50.1416 -180.041 50.1418 -19.8728 15.0268 -180.041 15.0272 -60.2334 GPRESSURE: 4283400 287.974 60.5333 -183.933 -25.1476 79.6209 67.989 -218.837 40.1674 -5.20564 PRESSAVG: 4283400 15.6051 29.2414 9.93085 29.2413 -39.7307 25.5154 9.93082 25.5154 -2.42379 GPRESSAVG: 4283400 15.5919 28.5332 9.46593 28.2278 -38.2315 24.5592 14.8039 25.2501 -4.20339 TIMING: 4283400 CPU: 13611.5, 0.00319285/step Wall: 13611.5, 0.00319285/step, 0.635554 hours remaining, 239.070312 MB of memory in use. ENERGY: 4283400 4004.4305 20474.4008 14431.2686 249.1810 -203262.9693 2464.6594 0.0000 0.0000 52298.8312 -109340.1977 300.5621 -161639.0290 -108961.5348 299.7471 95.0907 120.7965 760926.6734 -8.8498 -8.9477 PRESSURE: 4283600 -251.958 -48.0422 -29.5318 -48.0412 -142.015 -344.201 -29.5317 -344.202 -266.357 GPRESSURE: 4283600 -122.689 -90.7734 -25.1604 -108.552 -179.056 -399.38 -51.5918 -359.716 -282.982 PRESSAVG: 4283600 10.3095 -41.8953 20.7355 -41.8954 25.8315 3.97942 20.7356 3.97946 -1.98543 GPRESSAVG: 4283600 8.44321 -40.7262 21.4647 -42.874 25.5372 3.60847 18.376 3.74007 0.0656325 TIMING: 4283600 CPU: 13612.1, 0.0031826/step Wall: 13612.1, 0.0031826/step, 0.633337 hours remaining, 239.070312 MB of memory in use. ENERGY: 4283600 4024.8061 20604.7759 14474.3766 236.6895 -203068.0290 2508.8994 0.0000 0.0000 51956.9582 -109261.5233 298.5974 -161218.4815 -108891.0722 300.0474 -220.1105 -194.9091 761329.5738 11.3852 11.3487 PRESSURE: 4283800 217.187 133.886 -117.2 133.886 99.2663 69.9614 -117.2 69.962 -179.168 GPRESSURE: 4283800 255.365 40.4738 -145.854 -60.0387 108.331 44.6085 -81.6749 33.8726 -137.952 PRESSAVG: 4283800 43.1444 -52.9728 -27.8665 -52.9729 -19.0689 14.6901 -27.8665 14.69 24.5089 GPRESSAVG: 4283800 45.1051 -54.7771 -28.6163 -52.9168 -20.5045 14.8643 -27.9079 12.8945 24.3156 TIMING: 4283800 CPU: 13612.8, 0.00317052/step Wall: 13612.8, 0.00317052/step, 0.630757 hours remaining, 239.070312 MB of memory in use. ENERGY: 4283800 4009.0153 20700.2937 14386.6050 252.3475 -203501.1298 2613.8016 0.0000 0.0000 52256.1578 -109282.9087 300.3169 -161539.0666 -108912.4124 299.8967 45.7619 75.2480 760603.7620 16.1948 16.3054 PRESSURE: 4284000 -132.608 26.1074 -2.71123 26.1073 193.892 23.191 -2.71121 23.1912 -145.244 GPRESSURE: 4284000 -120.165 -7.04901 57.2788 12.6437 238.133 29.1091 39.4746 -57.0823 -124.785 PRESSAVG: 4284000 8.11668 13.9965 -15.1123 13.9965 6.47533 -57.6411 -15.1124 -57.6411 -14.0482 GPRESSAVG: 4284000 7.96175 14.5809 -15.5261 14.8231 7.18582 -57.4679 -13.3811 -57.4163 -14.8232 TIMING: 4284000 CPU: 13613.4, 0.00321671/step Wall: 13613.4, 0.00321671/step, 0.639768 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4284000 4026.6904 20628.8350 14498.5840 256.6550 -203875.9617 2874.1051 0.0000 0.0000 52259.4918 -109331.6003 300.3360 -161591.0922 -108963.5791 299.8575 -27.9869 -2.2724 761453.8282 0.1813 0.1081 PRESSURE: 4284200 99.6554 -29.0372 299.602 -29.0365 167.483 -68.6512 299.603 -68.6519 498.636 GPRESSURE: 4284200 150.297 30.9711 287.611 -15.9951 165.406 -132.644 284.1 -36.4705 512.882 PRESSAVG: 4284200 6.36802 -54.2018 -8.04642 -54.2018 -15.714 -14.8089 -8.04646 -14.8088 -1.32323 GPRESSAVG: 4284200 5.9832 -53.5196 -9.55493 -53.3008 -16.9794 -17.1121 -8.23067 -10.0739 -0.467864 TIMING: 4284200 CPU: 13614.1, 0.0031736/step Wall: 13614.1, 0.0031736/step, 0.631017 hours remaining, 239.070312 MB of memory in use. ENERGY: 4284200 3996.6087 20555.3265 14435.6199 240.6227 -203819.2377 3002.2823 0.0000 0.0000 52165.8219 -109422.9557 299.7977 -161588.7775 -109049.5741 299.9753 255.2585 276.1949 761259.5930 -3.5564 -3.8214 LDB: ============= START OF LOAD BALANCING ============== 13626.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13626.5 LDB: =============== DONE WITH MIGRATION ================ 13626.5 LDB: ============= START OF LOAD BALANCING ============== 13626.8 LDB: Largest compute 7075 load 0.037654 is 19.2% of average load 0.196082 LDB: Average compute 0.004398 is 2.2% of average load 0.196082 LDB: TIME 13626.8 LOAD: AVG 0.196082 MAX 0.215062 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13626.8 LOAD: AVG 0.196082 MAX 0.215062 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: TIME 13626.8 LOAD: AVG 0.196082 MAX 0.215062 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: ============== END OF LOAD BALANCING =============== 13626.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13626.8 PRESSURE: 4284400 -99.232 13.9648 -58.6702 13.9652 99.1248 -362.905 -58.6703 -362.905 -13.3612 GPRESSURE: 4284400 -93.9901 -72.7276 -182.078 8.7313 138.589 -309.388 54.6314 -257.05 35.6081 PRESSAVG: 4284400 30.6335 63.3483 23.1481 63.3484 6.24744 -35.6434 23.1482 -35.6433 -5.1152 GPRESSAVG: 4284400 30.6951 62.7814 24.4621 61.4906 6.75458 -32.3316 22.7318 -38.2107 -5.68508 TIMING: 4284400 CPU: 13614.7, 0.00324221/step Wall: 13614.7, 0.00324221/step, 0.64448 hours remaining, 239.125000 MB of memory in use. ENERGY: 4284400 3975.8428 20823.0120 14363.7561 263.6090 -203171.4763 2540.9616 0.0000 0.0000 51946.8370 -109257.4577 298.5392 -161204.2947 -108904.1349 299.7136 -4.4895 26.7355 761054.0088 10.5886 10.5882 PRESSURE: 4284600 -197.503 -130.356 -198.586 -130.356 -275.834 31.4175 -198.586 31.4178 127.808 GPRESSURE: 4284600 -148.741 -59.7121 -145.731 -180.055 -259.761 102.044 -242.005 -50.1303 173.706 PRESSAVG: 4284600 21.5243 -10.2035 -11.8923 -10.2035 -6.53678 -2.32568 -11.8923 -2.32573 19.953 GPRESSAVG: 4284600 22.0621 -10.7929 -11.2498 -10.2273 -7.65662 -4.39815 -13.6849 -1.719 20.1918 TIMING: 4284600 CPU: 13615.3, 0.00317513/step Wall: 13615.3, 0.00317513/step, 0.630969 hours remaining, 239.328125 MB of memory in use. ENERGY: 4284600 3951.0617 20515.9714 14342.6868 254.6169 -202894.8592 2448.9441 0.0000 0.0000 52118.7328 -109262.8456 299.5271 -161381.5784 -108898.7515 300.0218 -115.1765 -78.2656 762432.1317 11.6468 11.5324 PRESSURE: 4284800 -301.158 -217.492 -30.8201 -217.493 -92.643 -21.1359 -30.8206 -21.1358 190.919 GPRESSURE: 4284800 -244.123 -199.606 13.7967 -219.171 -99.8879 83.7267 81.124 -14.2034 224.171 PRESSAVG: 4284800 7.07161 -32.0732 8.58613 -32.0732 33.6724 2.68908 8.58612 2.68909 13.9313 GPRESSAVG: 4284800 6.77772 -30.6628 9.45544 -31.1381 34.6894 6.57368 9.58034 0.402256 12.9509 TIMING: 4284800 CPU: 13616, 0.00317577/step Wall: 13616, 0.00317577/step, 0.63092 hours remaining, 239.328125 MB of memory in use. ENERGY: 4284800 3959.1064 20633.5836 14349.5627 249.6100 -203680.1103 2712.8764 0.0000 0.0000 52338.2002 -109437.1711 300.7884 -161775.3712 -109085.5100 299.8228 -67.6273 -39.9468 761501.7807 18.2251 18.1393 PRESSURE: 4285000 45.0441 -75.9472 35.6486 -75.948 -86.2711 88.7075 35.6495 88.7072 -266.007 GPRESSURE: 4285000 25.7507 -110.381 3.34039 -110.772 19.0054 93.2259 106.263 25.4554 -278.489 PRESSAVG: 4285000 -8.35 -32.8007 -18.6288 -32.8007 3.24388 6.2271 -18.6288 6.22713 -17.9343 GPRESSAVG: 4285000 -8.72285 -33.8167 -18.5175 -32.3135 3.98598 3.1289 -18.7965 7.20226 -18.0096 TIMING: 4285000 CPU: 13616.6, 0.00317119/step Wall: 13616.6, 0.00317119/step, 0.629833 hours remaining, 239.328125 MB of memory in use. ENERGY: 4285000 4017.1922 20665.2260 14431.0261 230.4312 -203054.7793 2199.5005 0.0000 0.0000 52076.0659 -109435.3375 299.2819 -161511.4034 -109069.9778 299.7133 -102.4112 -77.9109 759648.6030 -7.6801 -7.5822 PRESSURE: 4285200 -34.0645 74.1707 45.3131 74.1703 -436.422 111.319 45.3133 111.319 -138.063 GPRESSURE: 4285200 -8.58976 43.826 -57.4557 101.519 -424.734 174.373 111.493 50.2694 -92.7568 PRESSAVG: 4285200 23.5046 -39.6339 -1.12041 -39.6339 -1.6201 -18.3606 -1.1204 -18.3607 6.93048 GPRESSAVG: 4285200 23.1974 -38.2664 -1.90427 -40.7351 -1.97901 -18.392 -1.1092 -17.257 7.47335 TIMING: 4285200 CPU: 13617.2, 0.00319225/step Wall: 13617.2, 0.00319225/step, 0.633839 hours remaining, 239.328125 MB of memory in use. ENERGY: 4285200 4060.6346 20536.9727 14402.8369 247.4553 -203303.6044 2342.6631 0.0000 0.0000 52368.5624 -109344.4793 300.9628 -161713.0418 -108972.2042 299.5943 -202.8499 -175.3601 762877.3399 9.6050 9.5639 PRESSURE: 4285400 183.469 -163.776 -55.2584 -163.776 -104.35 92.6379 -55.2588 92.6386 434.751 GPRESSURE: 4285400 180.731 -87.996 -129.644 -191.62 -60.3051 118.87 -128.524 119.185 466.676 PRESSAVG: 4285400 12.0212 -1.3646 23.1565 -1.36462 -23.4623 -5.97204 23.1565 -5.97206 -22.6798 GPRESSAVG: 4285400 13.0788 -1.50534 23.3572 -1.15595 -23.7963 -7.42722 23.965 -4.98945 -23.2344 TIMING: 4285400 CPU: 13617.9, 0.00317567/step Wall: 13617.9, 0.00317567/step, 0.63037 hours remaining, 239.328125 MB of memory in use. ENERGY: 4285400 4017.9440 20694.4401 14432.9128 238.1429 -203082.3786 2278.8472 0.0000 0.0000 51990.6945 -109429.3970 298.7912 -161420.0915 -109068.2137 299.9770 171.2899 195.7004 759690.8180 -11.3737 -11.3173 PRESSURE: 4285600 179.329 5.7669 152.808 5.76593 -206.867 8.02425 152.807 8.02383 87.8157 GPRESSURE: 4285600 143.284 -6.80361 71.9932 -52.7118 -89.0302 -15.0673 65.139 -13.1098 93.6513 PRESSAVG: 4285600 95.2734 -13.2435 -32.1445 -13.2435 -56.6522 35.7598 -32.1445 35.7597 4.10431 GPRESSAVG: 4285600 94.6784 -13.8 -32.5013 -13.9854 -56.4056 37.4506 -32.6935 33.229 5.14459 TIMING: 4285600 CPU: 13618.5, 0.00317945/step Wall: 13618.5, 0.00317945/step, 0.630944 hours remaining, 239.328125 MB of memory in use. ENERGY: 4285600 3979.2524 20557.0945 14424.8328 258.2694 -203759.1341 2666.8313 0.0000 0.0000 52418.7950 -109454.0587 301.2515 -161872.8536 -109083.4534 299.8485 20.0928 49.3016 759535.6190 14.2418 14.4725 PRESSURE: 4285800 -13.6604 123.777 -19.9518 123.777 -172.829 -214.777 -19.9527 -214.777 171.53 GPRESSURE: 4285800 17.0505 167.713 1.83912 148.547 -136.458 -250.147 -13.0887 -210.829 194.119 PRESSAVG: 4285800 16.3105 -47.3907 -4.98739 -47.3907 -11.0166 -17.7667 -4.98739 -17.7666 15.0524 GPRESSAVG: 4285800 16.4494 -47.0733 -4.38937 -46.8752 -11.0254 -17.7809 -5.08146 -15.6616 14.2533 TIMING: 4285800 CPU: 13619.2, 0.00327301/step Wall: 13619.2, 0.00327301/step, 0.649328 hours remaining, 239.328125 MB of memory in use. ENERGY: 4285800 3931.9961 20613.1385 14429.7658 259.3301 -203311.5541 2555.1512 0.0000 0.0000 52073.6690 -109448.5033 299.2681 -161522.1723 -109097.7936 299.7940 -4.9866 24.9040 759555.4658 6.7821 6.5591 PRESSURE: 4286000 -50.575 24.7835 70.0828 24.7835 73.0147 143.36 70.0818 143.36 -262.56 GPRESSURE: 4286000 76.2147 -50.722 57.9537 -49.6095 49.3963 126.667 100.037 90.8134 -285.673 PRESSAVG: 4286000 45.1972 26.963 25.4892 26.9631 -27.573 27.9916 25.4893 27.9917 23.2006 GPRESSAVG: 4286000 46.2361 24.6423 25.2109 28.059 -29.0912 27.5877 26.8713 26.4702 23.377 TIMING: 4286000 CPU: 13619.8, 0.00316955/step Wall: 13619.8, 0.00316954/step, 0.628626 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4286000 3963.0810 20545.6085 14354.4529 257.3641 -203135.5819 2411.8941 0.0000 0.0000 51967.1663 -109636.0151 298.6560 -161603.1814 -109270.1479 299.3878 -80.0400 -53.3540 760376.0114 13.6083 13.5073 PRESSURE: 4286200 -94.5024 -89.4809 50.5599 -89.4811 -7.15109 90.9901 50.5611 90.9899 6.10949 GPRESSURE: 4286200 -71.8225 -51.6209 52.4654 -61.46 37.504 69.2381 72.1289 142.67 11.8881 PRESSAVG: 4286200 23.1869 -25.6802 -30.2726 -25.6803 -65.6633 88.2921 -30.2726 88.292 13.1519 GPRESSAVG: 4286200 23.1085 -25.9284 -29.9758 -27.5707 -64.7321 88.3849 -31.7473 89.5581 12.8826 TIMING: 4286200 CPU: 13620.4, 0.00317096/step Wall: 13620.4, 0.00317096/step, 0.628731 hours remaining, 239.328125 MB of memory in use. ENERGY: 4286200 3963.6686 20404.2769 14483.0372 250.5984 -203010.7169 2400.8593 0.0000 0.0000 52043.6405 -109464.6360 299.0955 -161508.2765 -109098.5490 299.2022 -31.8480 -7.4768 760300.3423 -9.7748 -9.5803 PRESSURE: 4286400 4.01643 74.3087 130.889 74.31 171.822 135.403 130.889 135.402 -257.043 GPRESSURE: 4286400 28.5952 23.6707 174.973 164.834 127.636 88.1562 161.113 195.334 -148.384 PRESSAVG: 4286400 11.0538 7.75266 71.1839 7.75267 26.4457 27.9009 71.1839 27.901 -30.546 GPRESSAVG: 4286400 10.0755 8.39523 70.5505 9.89516 27.3535 29.5638 72.9209 27.4438 -30.5475 TIMING: 4286400 CPU: 13621.1, 0.00329119/step Wall: 13621.1, 0.00329119/step, 0.652388 hours remaining, 239.328125 MB of memory in use. ENERGY: 4286400 3999.0111 20427.5355 14463.6609 240.9181 -203314.4103 2702.4097 0.0000 0.0000 52179.6347 -109301.2403 299.8771 -161480.8750 -108934.1327 299.4734 -27.0680 2.6159 760503.1664 2.3178 2.2938 PRESSURE: 4286600 67.7349 80.301 -111.352 80.301 -62.8365 -65.3117 -111.353 -65.3119 -262.982 GPRESSURE: 4286600 57.9281 -94.6215 -89.0142 2.98307 -47.6298 -138.245 -169.045 -66.7016 -208.338 PRESSAVG: 4286600 0.654316 -41.4204 39.5084 -41.4204 53.7738 4.79306 39.5085 4.79304 18.4455 GPRESSAVG: 4286600 2.36006 -40.0618 39.5615 -46.0248 52.0704 2.91018 37.596 5.0839 18.7086 TIMING: 4286600 CPU: 13621.7, 0.00317723/step Wall: 13621.7, 0.00317723/step, 0.629622 hours remaining, 239.328125 MB of memory in use. ENERGY: 4286600 3963.8503 20521.4185 14386.3152 248.0651 -202921.6180 2181.6135 0.0000 0.0000 52262.6416 -109357.7137 300.3541 -161620.3554 -108987.6513 299.9312 -86.0277 -66.0132 761367.3802 24.2912 24.3797 PRESSURE: 4286800 -253.712 136.965 -55.2083 136.965 -90.5863 95.1176 -55.2072 95.1168 -104.791 GPRESSURE: 4286800 -237.125 58.5997 69.1817 190.664 13.528 26.8459 -47.1414 137.486 -147.193 PRESSAVG: 4286800 -29.8356 15.9455 -1.8368 15.9454 22.6953 67.8828 -1.83681 67.8828 -5.77797 GPRESSAVG: 4286800 -30.7525 17.1935 -1.722 17.5262 23.6665 67.6078 -0.121598 67.7867 -5.93998 TIMING: 4286800 CPU: 13622.4, 0.00316673/step Wall: 13622.4, 0.00316673/step, 0.627364 hours remaining, 239.328125 MB of memory in use. ENERGY: 4286800 4055.3372 20465.5316 14382.3513 255.1166 -203260.5506 2636.9788 0.0000 0.0000 52137.2731 -109327.9621 299.6336 -161465.2351 -108970.9818 300.0189 -149.6963 -123.5968 760306.4524 -4.3061 -4.3420 PRESSURE: 4287000 359.15 -176.544 222.679 -176.543 241.4 -33.5187 222.678 -33.518 44.5341 GPRESSURE: 4287000 402.284 -193.229 266.881 -208.671 277.977 61.0458 244.208 -134.067 63.2899 PRESSAVG: 4287000 -10.1927 -9.65587 48.2198 -9.65586 -31.9982 33.9498 48.2198 33.9499 10.7432 GPRESSAVG: 4287000 -10.0411 -9.31648 47.0687 -9.13866 -32.4007 33.5701 47.7519 32.7513 10.7868 TIMING: 4287000 CPU: 13623, 0.0031679/step Wall: 13623, 0.0031679/step, 0.627421 hours remaining, 239.328125 MB of memory in use. ENERGY: 4287000 3994.8081 20659.6273 14479.0719 243.0931 -203427.2910 2910.3474 0.0000 0.0000 51996.4291 -109143.9139 298.8242 -161140.3431 -108793.9675 299.8624 215.0279 247.8501 758315.9710 -10.4826 -10.5517 PRESSURE: 4287200 -129.286 81.3387 -168.136 81.3397 -84.7271 -141.193 -168.136 -141.192 6.09217 GPRESSURE: 4287200 -169.388 142.834 -224.739 29.9137 53.9717 -161.181 -243.632 -143.646 -30.0335 PRESSAVG: 4287200 12.2264 -24.0601 -4.04163 -24.06 -17.4044 2.29725 -4.04164 2.29732 5.30951 GPRESSAVG: 4287200 11.5566 -28.1326 -2.82029 -23.3497 -16.3461 2.91634 -3.94915 3.08474 4.96886 TIMING: 4287200 CPU: 13623.6, 0.0031751/step Wall: 13623.6, 0.0031751/step, 0.628669 hours remaining, 239.328125 MB of memory in use. ENERGY: 4287200 4072.6919 20625.4766 14472.4725 240.2624 -203183.6802 2720.0858 0.0000 0.0000 52100.8415 -108951.8495 299.4243 -161052.6910 -108595.3453 300.5280 -69.3070 -48.4832 760527.9748 0.0438 0.0598 PRESSURE: 4287400 -436.252 -35.9051 98.7673 -35.9056 149.491 -133.524 98.7671 -133.525 37.8571 GPRESSURE: 4287400 -311.146 -91.4825 104.725 43.7263 26.1643 -187.872 128.492 -50.6362 97.1172 PRESSAVG: 4287400 -14.2046 -9.67938 -17.1877 -9.67937 21.333 10.6238 -17.1876 10.6238 15.6963 GPRESSAVG: 4287400 -13.3909 -8.22898 -17.2126 -8.11445 19.0341 9.02999 -17.1759 12.4568 16.6932 TIMING: 4287400 CPU: 13624.3, 0.00314996/step Wall: 13624.3, 0.00314996/step, 0.623518 hours remaining, 239.328125 MB of memory in use. ENERGY: 4287400 3998.3722 20472.5894 14422.7322 267.8628 -203102.2026 2528.8751 0.0000 0.0000 52394.0478 -109017.7230 301.1093 -161411.7708 -108659.0528 300.7522 -82.9679 -62.6214 761678.9920 7.6082 7.4454 PRESSURE: 4287600 -444.456 151.266 -155.412 151.266 172.858 -111.337 -155.412 -111.338 14.5997 GPRESSURE: 4287600 -391.36 158.624 -170.273 213.979 243.709 -106.653 -176.648 -170.286 -4.56538 PRESSAVG: 4287600 -13.577 9.49658 42.1878 9.49658 -6.55481 -27.3628 42.1877 -27.3628 -0.567004 GPRESSAVG: 4287600 -13.7897 12.6074 42.6298 7.89672 -5.61934 -25.8019 42.492 -29.641 -0.823517 TIMING: 4287600 CPU: 13624.9, 0.00315514/step Wall: 13624.9, 0.00315514/step, 0.624367 hours remaining, 239.328125 MB of memory in use. ENERGY: 4287600 4079.9966 20452.3741 14430.9186 247.8594 -203053.7184 2617.6209 0.0000 0.0000 52393.5136 -108831.4351 301.1062 -161224.9487 -108467.3756 300.2568 -85.6660 -50.7389 761911.2130 -6.8996 -6.7442 PRESSURE: 4287800 -33.3578 -32.4364 152.497 -32.4363 -23.1028 115.195 152.498 115.195 334.199 GPRESSURE: 4287800 88.376 32.1625 155.004 -16.2638 -73.4494 59.7271 222.215 318.633 352.94 PRESSAVG: 4287800 -22.4436 -13.2215 5.60286 -13.2215 39.8574 3.0977 5.60291 3.09774 -20.1083 GPRESSAVG: 4287800 -21.5 -15.6933 4.0172 -11.1843 38.5807 2.49488 4.47543 3.21842 -19.6873 TIMING: 4287800 CPU: 13625.5, 0.00318176/step Wall: 13625.5, 0.00318176/step, 0.629458 hours remaining, 239.328125 MB of memory in use. ENERGY: 4287800 4035.5434 20468.1175 14397.6839 233.1932 -203099.7041 2647.4518 0.0000 0.0000 52354.9380 -108962.7763 300.8845 -161317.7143 -108594.8201 300.2180 92.5795 122.6223 761031.6830 -0.8982 -0.8688 PRESSURE: 4288000 153.66 207.481 61.6482 207.482 255.96 47.3181 61.6481 47.3179 -132.286 GPRESSURE: 4288000 111.523 212.893 -45.486 337.344 350.976 119.838 128.952 42.8541 -99.4703 PRESSAVG: 4288000 -30.2964 15.6389 55.9768 15.6389 15.6955 -15.9927 55.9768 -15.9928 11.3112 GPRESSAVG: 4288000 -30.0551 16.8464 58.0044 15.4217 15.445 -15.1085 54.6228 -15.4423 11.1564 TIMING: 4288000 CPU: 13626.2, 0.00321633/step Wall: 13626.2, 0.00321633/step, 0.636119 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4288000 4023.5612 20506.8947 14429.8351 255.7993 -202958.5663 2599.8171 0.0000 0.0000 51968.4658 -109174.1933 298.6635 -161142.6591 -108829.4807 300.7503 92.4446 121.0097 761800.7045 -1.0965 -1.1513 PRESSURE: 4288200 -401.922 121.127 17.0794 121.128 41.4678 -138.593 17.0803 -138.594 -145.398 GPRESSURE: 4288200 -416.14 156.895 84.9896 146.485 74.3547 -176.258 150.021 -162.539 -104.731 PRESSAVG: 4288200 -83.5864 -5.23141 29.0007 -5.23137 47.1556 49.9891 29.0008 49.9891 -25.6123 GPRESSAVG: 4288200 -83.9686 -5.49297 29.2277 -5.93104 47.912 50.2953 30.881 50.0614 -25.993 TIMING: 4288200 CPU: 13626.8, 0.00321853/step Wall: 13626.8, 0.00321854/step, 0.636376 hours remaining, 239.328125 MB of memory in use. ENERGY: 4288200 3887.7052 20546.6968 14370.1258 228.7392 -203062.7356 2508.3942 0.0000 0.0000 52318.2817 -109202.7927 300.6739 -161521.0744 -108842.8610 300.2819 -168.6175 -148.8388 762649.7041 -20.6810 -20.6832 LDB: ============= START OF LOAD BALANCING ============== 13639.2 LDB: ============== END OF LOAD BALANCING =============== 13639.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13639.2 LDB: ============= START OF LOAD BALANCING ============== 13639.5 LDB: Largest compute 7075 load 0.037839 is 19.3% of average load 0.195958 LDB: Average compute 0.004416 is 2.3% of average load 0.195958 LDB: TIME 13639.5 LOAD: AVG 0.195958 MAX 0.217123 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.684 MB LDB: TIME 13639.5 LOAD: AVG 0.195958 MAX 0.217123 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 13639.5 LOAD: AVG 0.195958 MAX 0.217123 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 13639.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13639.6 PRESSURE: 4288400 325.465 -54.9638 -91.6694 -54.9629 267.224 -131.334 -91.669 -131.335 613.95 GPRESSURE: 4288400 403.765 -82.6138 -68.645 -95.1756 260.226 -167.049 -96.905 -84.1172 612.339 PRESSAVG: 4288400 -13.7505 -32.8352 -20.5471 -32.8351 19.3376 -19.2226 -20.547 -19.2227 -6.9271 GPRESSAVG: 4288400 -13.4505 -32.4355 -21.4325 -33.7066 19.0266 -18.5319 -21.1325 -18.0339 -6.09914 TIMING: 4288400 CPU: 13627.5, 0.00328655/step Wall: 13627.5, 0.00328655/step, 0.649641 hours remaining, 237.640625 MB of memory in use. ENERGY: 4288400 3911.8863 20531.9571 14373.7742 232.8982 -203753.9666 2899.0615 0.0000 0.0000 52374.8712 -109429.5182 300.9991 -161804.3894 -109060.6173 299.6965 402.2133 425.4434 761213.8648 -0.4467 -0.1743 PRESSURE: 4288600 -17.2754 180.166 244.664 180.167 -243.309 -35.4882 244.663 -35.4886 -20.624 GPRESSURE: 4288600 31.2654 197.463 222.822 128.182 -253.532 -74.7484 252.474 -138.003 13.8589 PRESSAVG: 4288600 -2.22116 1.67935 32.1223 1.67944 44.1965 28.9923 32.1224 28.9924 -18.7689 GPRESSAVG: 4288600 -2.37505 0.68117 33.5476 3.91505 44.6437 28.286 31.4576 29.0583 -19.0602 TIMING: 4288600 CPU: 13628.1, 0.00321647/step Wall: 13628.1, 0.00321647/step, 0.635609 hours remaining, 237.843750 MB of memory in use. ENERGY: 4288600 4027.3715 20694.0960 14453.7305 261.4493 -203593.7577 2516.9648 0.0000 0.0000 52297.5805 -109342.5652 300.5549 -161640.1457 -108976.8213 299.8354 -93.7361 -69.4693 762239.9988 7.7355 7.7362 PRESSURE: 4288800 -252.433 -64.4331 18.8615 -64.4329 75.4766 57.5723 18.8617 57.5726 -60.0938 GPRESSURE: 4288800 -264.799 -14.94 -15.5605 -40.0972 105.751 60.4735 -53.9007 63.38 1.61096 PRESSAVG: 4288800 3.64208 -43.0557 24.1041 -43.0557 32.212 -25.3506 24.1041 -25.3505 -11.1015 GPRESSAVG: 4288800 3.9538 -40.0455 23.7538 -47.2418 31.6864 -25.1686 24.6043 -27.0562 -10.7283 TIMING: 4288800 CPU: 13628.8, 0.00319609/step Wall: 13628.8, 0.00319609/step, 0.631406 hours remaining, 237.843750 MB of memory in use. ENERGY: 4288800 3952.5828 20600.6157 14436.3790 240.9714 -203320.0636 2514.3801 0.0000 0.0000 52154.4033 -109420.7312 299.7321 -161575.1346 -109057.6863 299.9223 -79.0166 -52.4791 762654.1570 8.2509 8.3040 PRESSURE: 4289000 302.902 52.5208 -139.993 52.5205 199.537 -31.0575 -139.994 -31.0585 90.4721 GPRESSURE: 4289000 398.69 -30.892 -90.2599 77.5383 293.774 -32.4932 -117.482 -138.046 -10.7182 PRESSAVG: 4289000 22.5958 -44.1876 47.8441 -44.1876 -15.0667 -66.3179 47.8441 -66.3177 -9.4232 GPRESSAVG: 4289000 22.7079 -45.3848 46.7409 -41.5713 -14.4652 -67.524 47.7197 -65.6271 -10.0457 TIMING: 4289000 CPU: 13629.4, 0.0031902/step Wall: 13629.4, 0.0031902/step, 0.630064 hours remaining, 237.843750 MB of memory in use. ENERGY: 4289000 3988.3532 20611.5952 14470.6292 251.3657 -203702.6140 2894.6727 0.0000 0.0000 51873.1647 -109612.8334 298.1158 -161485.9981 -109250.4402 298.8913 197.6370 227.2486 761845.8057 -0.6314 -0.6010 PRESSURE: 4289200 -209.582 183.201 -145.5 183.202 -349.675 -83.0366 -145.5 -83.0352 -15.5739 GPRESSURE: 4289200 -151.284 -3.71498 -180.96 155.606 -328.1 -82.7738 -26.3033 -119.831 -6.7664 PRESSAVG: 4289200 4.34277 12.6084 -28.2715 12.6085 11.4064 -31.727 -28.2715 -31.727 5.22254 GPRESSAVG: 4289200 4.72997 10.474 -29.5161 12.9693 10.3318 -31.3339 -29.9243 -30.5705 5.56006 TIMING: 4289200 CPU: 13630, 0.00318869/step Wall: 13630, 0.00318869/step, 0.62959 hours remaining, 237.843750 MB of memory in use. ENERGY: 4289200 3980.6350 20597.6634 14340.1321 247.9840 -203425.8670 2467.8618 0.0000 0.0000 52469.5105 -109322.0803 301.5430 -161791.5908 -108958.7526 299.7079 -191.6104 -162.0502 762273.0884 6.9906 6.8739 PRESSURE: 4289400 45.0872 75.189 4.44705 75.1896 215.815 124.307 4.44636 124.306 211.158 GPRESSURE: 4289400 192.042 131.139 46.0226 78.6762 238.331 61.9177 78.4543 110.228 130.136 PRESSAVG: 4289400 -12.0188 6.76861 -3.99218 6.76865 19.3845 -65.1478 -3.99224 -65.1479 -0.751092 GPRESSAVG: 4289400 -11.9097 7.07584 -2.88282 4.35288 20.4051 -63.8484 -0.24683 -67.3756 -1.56437 TIMING: 4289400 CPU: 13630.7, 0.0032035/step Wall: 13630.7, 0.0032035/step, 0.632334 hours remaining, 237.843750 MB of memory in use. ENERGY: 4289400 3996.6303 20498.1904 14434.2219 222.0399 -203358.1678 2569.8095 0.0000 0.0000 52248.3310 -109388.9447 300.2719 -161637.2757 -109026.9480 300.2505 157.3536 186.8364 763050.0067 2.2049 2.3103 PRESSURE: 4289600 149.204 -98.9352 -59.7213 -98.9339 -20.9523 -20.3975 -59.7206 -20.3971 20.9414 GPRESSURE: 4289600 214.102 -0.414398 -135.812 -1.90908 -22.7458 1.96882 -160.086 78.8013 50.8666 PRESSAVG: 4289600 -11.9905 -11.7775 7.39888 -11.7774 19.2308 -31.6575 7.39894 -31.6575 0.46109 GPRESSAVG: 4289600 -13.5987 -10.4538 7.71537 -11.267 20.422 -31.7206 3.45467 -31.6751 0.982406 TIMING: 4289600 CPU: 13631.3, 0.00318762/step Wall: 13631.3, 0.00318762/step, 0.629023 hours remaining, 237.843750 MB of memory in use. ENERGY: 4289600 4050.7299 20551.1407 14508.6075 252.9687 -203387.4636 2663.2260 0.0000 0.0000 52023.5675 -109337.2233 298.9802 -161360.7909 -108978.7172 299.8763 49.7310 80.7410 763014.5053 2.5671 2.6019 PRESSURE: 4289800 9.58528 -259.431 164.777 -259.432 -90.1581 184.885 164.776 184.886 -51.4443 GPRESSURE: 4289800 43.7229 -167.139 66.6833 -229.111 -67.9947 144.271 203.917 245.741 -30.1264 PRESSAVG: 4289800 54.3811 -35.2332 10.1661 -35.2332 -20.9439 -46.9465 10.1661 -46.9464 30.797 GPRESSAVG: 4289800 55.0792 -34.6518 9.43998 -35.2967 -21.4779 -47.6154 11.1636 -44.4337 29.959 TIMING: 4289800 CPU: 13631.9, 0.00318043/step Wall: 13631.9, 0.00318043/step, 0.627429 hours remaining, 237.843750 MB of memory in use. ENERGY: 4289800 4113.8193 20583.8589 14433.9968 250.6709 -203356.9723 2553.7111 0.0000 0.0000 52120.8704 -109300.0449 299.5394 -161420.9153 -108940.6300 300.1926 -44.0057 -18.1327 761780.4908 21.4114 21.1867 PRESSURE: 4290000 265.254 -48.7435 -15.157 -48.7434 396.783 -27.3517 -15.1568 -27.352 19.6705 GPRESSURE: 4290000 289.264 -100.708 32.2868 -130.147 392.018 -68.9191 -176.701 31.4538 99.103 PRESSAVG: 4290000 59.0015 -23.0126 20.6568 -23.0126 -11.559 -23.183 20.6567 -23.1829 -15.0359 GPRESSAVG: 4290000 59.1103 -25.3906 21.4455 -22.5165 -13.4734 -23.1672 21.4321 -23.6388 -13.0468 TIMING: 4290000 CPU: 13632.6, 0.0031623/step Wall: 13632.6, 0.0031623/step, 0.623676 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4290000 4030.7711 20682.4926 14417.0732 249.0005 -203804.5724 2924.5245 0.0000 0.0000 52075.7954 -109424.9149 299.2803 -161500.7104 -109065.2208 300.0039 227.2358 260.1282 760621.4664 10.8022 10.8634 PRESSURE: 4290200 -134.747 252.279 -58.5134 252.279 79.2452 -279.998 -58.5131 -279.998 -73.8814 GPRESSURE: 4290200 -47.4168 106.42 -102.374 214.184 135.566 -272.185 28.2086 -217.044 -126.056 PRESSAVG: 4290200 -6.90123 7.54192 2.64723 7.54191 -27.6021 -32.225 2.64729 -32.2251 27.9607 GPRESSAVG: 4290200 -7.18532 7.61421 1.89272 8.28794 -26.5498 -31.5498 3.81451 -33.6551 27.6707 TIMING: 4290200 CPU: 13633.2, 0.00321778/step Wall: 13633.2, 0.00321778/step, 0.634439 hours remaining, 237.843750 MB of memory in use. ENERGY: 4290200 4082.1464 20589.0382 14376.1230 255.4902 -203743.8131 2928.9324 0.0000 0.0000 52239.3259 -109272.7571 300.2201 -161512.0830 -108910.3107 299.7812 -43.1278 -12.6355 760632.3186 -2.1809 -2.0215 PRESSURE: 4290400 -292.559 -10.4741 -87.2054 -10.4739 -24.4373 11.7994 -87.2055 11.7994 -115.01 GPRESSURE: 4290400 -182.946 13.2832 -129.408 35.5169 -14.4453 86.7024 -95.8968 -4.87782 -112.871 PRESSAVG: 4290400 -39.2766 -46.3551 26.2406 -46.3551 28.5465 -45.7089 26.2407 -45.7088 -38.0262 GPRESSAVG: 4290400 -38.6626 -43.9389 26.9698 -47.1148 28.0649 -45.7545 25.3572 -45.7432 -38.1546 TIMING: 4290400 CPU: 13633.9, 0.00318592/step Wall: 13633.9, 0.00318592/step, 0.627979 hours remaining, 237.843750 MB of memory in use. ENERGY: 4290400 4047.8934 20527.5158 14284.6886 242.9884 -203022.9610 2582.7999 0.0000 0.0000 52040.2815 -109296.7934 299.0762 -161337.0749 -108934.5935 299.9642 -144.0021 -103.4205 761965.7474 -16.2521 -16.2508 PRESSURE: 4290600 -109.4 -244.526 -40.8493 -244.525 504.531 -72.4849 -40.8492 -72.4842 -63.8482 GPRESSURE: 4290600 -19.0901 -247.033 -8.92657 -250.896 445.882 -167.89 -114.485 30.3005 -23.6543 PRESSAVG: 4290600 -18.665 -45.485 52.5052 -45.485 5.52873 -41.3171 52.5052 -41.3171 2.78099 GPRESSAVG: 4290600 -18.7924 -45.8052 52.3994 -46.2233 5.69101 -43.6227 51.6587 -40.1875 2.08301 TIMING: 4290600 CPU: 13634.5, 0.00318016/step Wall: 13634.5, 0.00318016/step, 0.626669 hours remaining, 237.843750 MB of memory in use. ENERGY: 4290600 4102.7893 20628.3122 14337.0009 236.8037 -203504.6583 2741.3777 0.0000 0.0000 51963.0959 -109495.2786 298.6326 -161458.3744 -109138.0800 299.6052 110.4278 134.3793 762286.1630 -3.4518 -3.6728 PRESSURE: 4290800 -520.438 -3.16328 24.6313 -3.16334 -297.723 -188.273 24.6322 -188.273 -335.617 GPRESSURE: 4290800 -497.752 -51.464 -33.6219 70.7636 -249.298 -67.4355 87.9889 -204.857 -315.798 PRESSAVG: 4290800 39.953 -50.4489 -0.797309 -50.4489 -36.9856 -47.4163 -0.797271 -47.4163 -12.8387 GPRESSAVG: 4290800 38.658 -50.1524 -1.22112 -50.2407 -35.8463 -44.6719 1.88574 -48.8551 -13.0872 TIMING: 4290800 CPU: 13635.1, 0.00315516/step Wall: 13635.1, 0.00315516/step, 0.621567 hours remaining, 237.843750 MB of memory in use. ENERGY: 4290800 4072.9863 20384.1741 14351.8849 246.2381 -202740.5395 2080.1788 0.0000 0.0000 52084.3467 -109520.7306 299.3295 -161605.0773 -109160.9247 299.7827 -384.5924 -354.2825 762531.4872 -3.2904 -3.4252 PRESSURE: 4291000 50.8679 19.7774 -111.471 19.7772 -96.3501 16.3386 -111.47 16.3389 -223.65 GPRESSURE: 4291000 102.022 80.493 -71.3713 42.8635 12.7476 159.296 12.2087 12.6931 -309.427 PRESSAVG: 4291000 2.60187 -13.2698 40.7868 -13.2698 -10.9792 -2.33112 40.7869 -2.33111 3.40417 GPRESSAVG: 4291000 1.60941 -14.4803 40.2574 -12.5779 -10.9577 -2.51595 40.7832 -0.770016 4.32775 TIMING: 4291000 CPU: 13635.8, 0.00313958/step Wall: 13635.8, 0.00313958/step, 0.618323 hours remaining, 237.843750 MB of memory in use. ENERGY: 4291000 3964.5816 20542.2583 14427.2533 242.6102 -203926.4965 3082.6044 0.0000 0.0000 52299.0636 -109368.1251 300.5634 -161667.1888 -109013.1550 299.9094 -89.7109 -64.8858 762096.0862 -1.6577 -1.6735 PRESSURE: 4291200 -80.3351 -13.6504 107.459 -13.6502 46.2785 -142.948 107.458 -142.948 397.083 GPRESSURE: 4291200 -14.6482 -59.8733 158.047 85.9639 57.4262 -120.704 56.3438 -192.364 414.725 PRESSAVG: 4291200 -25.1838 -2.99445 -27.8535 -2.99449 0.406029 -37.1309 -27.8536 -37.131 9.73801 GPRESSAVG: 4291200 -23.7941 -1.87884 -26.2155 -2.9725 -1.09289 -38.1135 -30.0135 -38.5366 9.82718 TIMING: 4291200 CPU: 13636.4, 0.00313297/step Wall: 13636.4, 0.00313297/step, 0.616847 hours remaining, 237.843750 MB of memory in use. ENERGY: 4291200 3921.0281 20412.5686 14401.1264 253.0362 -203166.7754 2606.6432 0.0000 0.0000 52121.9338 -109450.4392 299.5455 -161572.3730 -109089.7274 299.5193 121.0087 152.5010 763244.6766 -5.0132 -5.0199 PRESSURE: 4291400 384.264 -135.767 -33.3316 -135.767 211.25 -270.393 -33.3312 -270.393 147.582 GPRESSURE: 4291400 358.894 6.57706 -0.858056 -146.295 207.415 -175.062 -63.562 -370.83 271.745 PRESSAVG: 4291400 23.7241 -37.8269 -26.8078 -37.8269 -30.1977 -15.8946 -26.8077 -15.8946 36.2275 GPRESSAVG: 4291400 22.8657 -41.4991 -28.0558 -36.652 -29.8489 -16.3734 -27.0675 -15.9819 36.5286 TIMING: 4291400 CPU: 13637, 0.00312403/step Wall: 13637, 0.00312403/step, 0.614914 hours remaining, 237.843750 MB of memory in use. ENERGY: 4291400 4005.4181 20546.6934 14393.2831 258.9837 -203847.7496 3083.1936 0.0000 0.0000 52316.4179 -109243.7599 300.6632 -161560.1777 -108890.5710 300.2000 247.6985 279.3514 760254.8450 9.9180 9.8485 PRESSURE: 4291600 -384.886 45.1272 2.5575 45.1271 160.75 82.7209 2.55729 82.7208 187.43 GPRESSURE: 4291600 -293.522 -9.97363 46.669 124.757 193.407 77.8742 -109.697 -50.375 139.181 PRESSAVG: 4291600 43.6198 31.4991 -17.7983 31.4991 -15.215 -18.2386 -17.7983 -18.2387 -5.45824 GPRESSAVG: 4291600 43.8447 35.097 -17.119 29.7854 -14.4712 -17.5706 -17.4178 -17.1945 -5.76494 TIMING: 4291600 CPU: 13637.6, 0.00313834/step Wall: 13637.6, 0.00313834/step, 0.617556 hours remaining, 237.843750 MB of memory in use. ENERGY: 4291600 4004.4663 20606.7027 14474.3005 257.3085 -203335.5872 2558.4800 0.0000 0.0000 52180.2712 -109254.0579 299.8807 -161434.3292 -108888.6854 300.1588 -12.2355 13.0219 761081.0707 7.6488 7.8695 PRESSURE: 4291800 151.456 -89.0061 -166.975 -89.0063 -65.3854 -110.844 -166.975 -110.844 72.72 GPRESSURE: 4291800 129.189 -61.8427 -125.407 -170.573 -70.0785 -100.941 -188.822 -121.713 174.724 PRESSAVG: 4291800 -0.812966 -4.32619 -2.71644 -4.32623 6.11729 -14.5566 -2.71635 -14.5566 7.09296 GPRESSAVG: 4291800 -1.47652 -4.72716 -3.60791 -4.20707 6.18926 -14.4094 -3.21387 -17.0255 6.96526 TIMING: 4291800 CPU: 13638.3, 0.00311704/step Wall: 13638.3, 0.00311704/step, 0.613191 hours remaining, 237.843750 MB of memory in use. ENERGY: 4291800 4012.5991 20575.8441 14447.0475 230.3989 -203701.3911 3050.5406 0.0000 0.0000 52121.2998 -109263.6612 299.5418 -161384.9609 -108909.3392 300.2544 52.9302 77.9446 761664.6076 4.1324 3.8927 PRESSURE: 4292000 313.167 8.42887 92.349 8.42928 284.819 266.103 92.349 266.103 21.0479 GPRESSURE: 4292000 325.19 24.6887 31.5327 -7.37805 339.573 255.36 -47.7024 211.266 25.6123 PRESSAVG: 4292000 -10.7697 -51.1526 -26.7796 -51.1527 -38.1869 59.9193 -26.7796 59.9193 -0.189717 GPRESSAVG: 4292000 -9.50751 -52.1026 -27.8791 -50.5525 -38.8392 57.467 -27.9051 62.6495 -1.16019 TIMING: 4292000 CPU: 13638.9, 0.0031447/step Wall: 13638.9, 0.0031447/step, 0.618457 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4292000 3989.1018 20561.0443 14367.9156 247.2268 -203945.3702 3022.1254 0.0000 0.0000 52156.2192 -109601.7370 299.7425 -161757.9562 -109235.8772 299.7492 206.3446 230.1250 760200.9055 -16.3821 -16.5023 PRESSURE: 4292200 -274.385 -58.468 71.1864 -58.4676 -524.907 40.9323 71.1858 40.9322 -204.156 GPRESSURE: 4292200 -221.022 71.0308 -2.6259 -57.6005 -451.147 110.683 -60.6619 29.5023 -242.788 PRESSAVG: 4292200 39.5198 -22.4943 -10.0692 -22.4943 -73.3933 17.9111 -10.0692 17.911 -15.7817 GPRESSAVG: 4292200 39.3763 -22.5773 -9.44262 -21.7207 -74.1414 18.916 -9.12629 17.0836 -15.0059 TIMING: 4292200 CPU: 13639.5, 0.00317854/step Wall: 13639.5, 0.00317854/step, 0.624937 hours remaining, 237.843750 MB of memory in use. ENERGY: 4292200 3959.3559 20500.4037 14349.4513 224.6396 -203506.8095 2608.9133 0.0000 0.0000 52192.9148 -109671.1308 299.9534 -161864.0456 -109302.0421 299.1669 -334.4826 -304.9859 762260.3031 -16.5517 -16.5903 LDB: ============= START OF LOAD BALANCING ============== 13651.9 LDB: ============== END OF LOAD BALANCING =============== 13651.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13651.9 LDB: ============= START OF LOAD BALANCING ============== 13652.2 LDB: Largest compute 7067 load 0.035401 is 18.1% of average load 0.195968 LDB: Average compute 0.004380 is 2.2% of average load 0.195968 LDB: TIME 13652.2 LOAD: AVG 0.195968 MAX 0.217935 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13652.2 LOAD: AVG 0.195968 MAX 0.217935 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 13652.2 LOAD: AVG 0.195968 MAX 0.217935 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13652.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13652.2 PRESSURE: 4292400 -522.442 -157.436 40.9293 -157.436 -24.8285 -4.37698 40.9301 -4.37591 -275.034 GPRESSURE: 4292400 -476.529 -173.281 -14.0123 -125.24 13.9068 21.8206 146.963 74.169 -263.76 PRESSAVG: 4292400 -13.5117 -16.2032 -34.8988 -16.2032 -46.4131 -21.2152 -34.8988 -21.2152 -23.7159 GPRESSAVG: 4292400 -14.1337 -14.8385 -34.5554 -17.1495 -44.9561 -21.9277 -34.7966 -20.7097 -24.5133 TIMING: 4292400 CPU: 13640.2, 0.00322309/step Wall: 13640.2, 0.00322309/step, 0.633517 hours remaining, 239.125000 MB of memory in use. ENERGY: 4292400 4017.4939 20341.2075 14428.8767 252.2196 -203467.8203 2648.9412 0.0000 0.0000 52157.1194 -109621.9620 299.7477 -161779.0814 -109261.1041 299.1078 -274.1017 -242.1275 763354.9578 -27.8802 -27.8677 PRESSURE: 4292600 33.0645 -86.4634 -386.506 -86.4636 -129.898 26.4888 -386.506 26.4893 83.3071 GPRESSURE: 4292600 -31.1334 -7.80975 -349.49 -190.558 -100.631 73.332 -298.981 43.4875 205.103 PRESSAVG: 4292600 33.5148 -21.6367 -63.75 -21.6367 -6.42621 26.2345 -63.75 26.2345 11.1924 GPRESSAVG: 4292600 32.8301 -21.7116 -63.8193 -20.8262 -6.57382 26.2615 -62.2482 25.7425 11.8738 TIMING: 4292600 CPU: 13640.8, 0.00316763/step Wall: 13640.8, 0.00316763/step, 0.622439 hours remaining, 239.328125 MB of memory in use. ENERGY: 4292600 3949.9740 20493.7925 14405.5775 233.6439 -203386.6378 2781.2144 0.0000 0.0000 52089.1620 -109433.2735 299.3571 -161522.4355 -109062.5625 299.2920 -4.5088 24.4462 760936.6137 12.7603 12.7100 PRESSURE: 4292800 -65.8028 97.1596 17.8349 97.1594 -142.029 101.744 17.8348 101.743 -236.015 GPRESSURE: 4292800 -83.7835 53.8844 5.70779 27.7488 -129.471 83.0695 24.2997 152.7 -169.325 PRESSAVG: 4292800 26.428 -62.5068 -39.0575 -62.5067 15.5186 1.74781 -39.0575 1.74778 -2.01353 GPRESSAVG: 4292800 26.9154 -62.3133 -38.5917 -64.2608 15.3548 2.41233 -38.8957 -0.137663 -2.24896 TIMING: 4292800 CPU: 13641.4, 0.00316555/step Wall: 13641.4, 0.00316554/step, 0.621854 hours remaining, 239.328125 MB of memory in use. ENERGY: 4292800 3985.9370 20554.1050 14358.5207 238.4856 -203476.6183 2655.8463 0.0000 0.0000 51931.8593 -109751.8643 298.4531 -161683.7236 -109398.1806 299.3956 -147.9491 -127.5266 762116.2522 13.3110 13.3404 PRESSURE: 4293000 156.784 15.254 -101.347 15.254 51.7204 -234.925 -101.347 -234.925 231.386 GPRESSURE: 4293000 156.868 34.2243 35.1096 -83.4497 96.5177 -281.46 -231.368 -166.165 253.132 PRESSAVG: 4293000 23.1863 -63.6722 -7.1592 -63.6722 -10.9315 -8.88561 -7.15921 -8.88565 8.17275 GPRESSAVG: 4293000 24.4433 -64.0918 -6.35265 -62.8421 -11.252 -9.64295 -8.03187 -4.79893 7.42194 TIMING: 4293000 CPU: 13642.1, 0.00313299/step Wall: 13642.1, 0.003133/step, 0.615285 hours remaining, 239.328125 MB of memory in use. ENERGY: 4293000 4014.8872 20471.5241 14395.4864 238.6583 -203738.5010 3066.5363 0.0000 0.0000 51775.4222 -109775.9865 297.5541 -161551.4087 -109429.7267 298.3052 146.6299 168.8392 762946.5525 6.8092 6.8711 PRESSURE: 4293200 241.772 -264.657 146.813 -264.656 -19.1906 -63.4748 146.812 -63.4753 604.934 GPRESSURE: 4293200 371.945 -257.83 175.05 -249.804 24.0966 -71.7712 44.6572 -215.22 516.493 PRESSAVG: 4293200 7.29569 -23.0896 30.5072 -23.0896 -41.5892 13.211 30.5072 13.2109 16.4929 GPRESSAVG: 4293200 7.27521 -24.049 29.7508 -23.8116 -41.6332 12.9986 32.1074 9.92936 16.6111 TIMING: 4293200 CPU: 13642.7, 0.00315104/step Wall: 13642.7, 0.00315104/step, 0.618654 hours remaining, 239.328125 MB of memory in use. ENERGY: 4293200 3920.8629 20391.0547 14411.7760 226.1610 -203743.4599 3048.1266 0.0000 0.0000 51994.2053 -109751.2733 298.8114 -161745.4786 -109386.3885 298.7555 275.8384 304.1783 762883.2772 -5.9335 -5.9156 PRESSURE: 4293400 -15.9392 -11.5137 -129.571 -11.5138 250.403 12.5558 -129.571 12.5556 -115.783 GPRESSURE: 4293400 125.166 54.4182 -121.024 -30.9317 211.14 -54.6018 -206.312 145.076 -120.385 PRESSAVG: 4293400 -32.2144 -47.2907 -10.5899 -47.2908 23.6485 -18.3748 -10.5899 -18.3747 -7.53912 GPRESSAVG: 4293400 -33.4193 -45.3319 -10.0906 -47.0534 24.6023 -18.5762 -11.8466 -17.1319 -7.16629 TIMING: 4293400 CPU: 13643.3, 0.00318103/step Wall: 13643.3, 0.00318103/step, 0.624366 hours remaining, 239.328125 MB of memory in use. ENERGY: 4293400 4006.5082 20432.4180 14363.0430 248.6087 -204232.0329 3368.7057 0.0000 0.0000 51988.8814 -109823.8679 298.7808 -161812.7493 -109462.1402 298.8062 39.5603 71.9736 762096.7722 -5.3684 -5.3278 PRESSURE: 4293600 -143.232 57.892 -34.9709 57.8908 -162.754 -291.962 -34.9711 -291.963 128.064 GPRESSURE: 4293600 -189.199 -56.6932 -93.2497 -109.665 -152.661 -291.883 36.9977 -188.749 233.618 PRESSAVG: 4293600 19.6618 -52.16 -40.4184 -52.16 20.0437 9.07549 -40.4183 9.07553 9.7999 GPRESSAVG: 4293600 20.6786 -54.4666 -41.6952 -52.1315 19.0081 12.2449 -39.0739 7.87885 9.7042 TIMING: 4293600 CPU: 13644, 0.00319811/step Wall: 13644, 0.00319811/step, 0.627541 hours remaining, 239.328125 MB of memory in use. ENERGY: 4293600 4016.3495 20705.1793 14416.2513 260.8083 -203619.7035 2610.4419 0.0000 0.0000 52058.1651 -109552.5081 299.1790 -161610.6732 -109193.6028 298.9221 -59.3075 -36.0806 762575.2342 16.5018 16.4637 PRESSURE: 4293800 -49.1438 -226.982 45.3661 -226.983 -36.1221 -30.0842 45.3655 -30.0842 -444.19 GPRESSURE: 4293800 -59.2208 -313.792 26.052 -102.971 5.80131 59.5312 -107.308 -78.6476 -398.33 PRESSAVG: 4293800 -42.0003 -86.5972 16.5547 -86.5972 -15.4695 -21.3779 16.5547 -21.3779 6.06691 GPRESSAVG: 4293800 -41.2085 -87.3865 18.2153 -86.9685 -16.9521 -23.7316 13.9679 -19.3977 7.24421 TIMING: 4293800 CPU: 13644.6, 0.00314864/step Wall: 13644.6, 0.00314864/step, 0.617658 hours remaining, 239.328125 MB of memory in use. ENERGY: 4293800 4002.1943 20530.9294 14383.6875 250.9182 -203357.6903 2404.3141 0.0000 0.0000 52069.7380 -109715.9089 299.2455 -161785.6469 -109361.0981 298.5222 -176.4853 -150.5832 763637.6713 -17.1343 -16.9721 PRESSURE: 4294000 -369.998 76.2496 -232.901 76.2493 85.6367 -23.1048 -232.901 -23.105 -89.0473 GPRESSURE: 4294000 -309.506 86.8156 -268.511 107.191 115.167 -152.265 -74.6522 -0.283484 -99.8015 PRESSAVG: 4294000 70.3452 -116.762 28.3084 -116.762 -21.835 4.39875 28.3085 4.39877 4.73484 GPRESSAVG: 4294000 69.3267 -114.346 27.1156 -115.784 -19.4164 3.34051 29.4004 4.9384 3.84691 TIMING: 4294000 CPU: 13645.2, 0.0031575/step Wall: 13645.2, 0.0031575/step, 0.619221 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4294000 4064.0693 20481.9597 14389.7833 242.5517 -203486.1246 2673.3516 0.0000 0.0000 52004.2932 -109630.1157 298.8694 -161634.4090 -109271.0956 298.9650 -124.4695 -98.0470 762348.5887 17.7484 17.9191 PRESSURE: 4294200 -318.565 198.261 89.9104 198.261 198.871 -53.9235 89.9104 -53.9232 24.9517 GPRESSURE: 4294200 -183.365 111.153 192.054 195.391 173.993 -162.157 63.4351 -48.5134 15.9175 PRESSAVG: 4294200 -24.4867 -30.4843 41.7172 -30.4843 18.7313 29.6272 41.7172 29.6272 -24.6449 GPRESSAVG: 4294200 -22.4236 -33.0704 41.7767 -31.6388 17.1752 30.6654 42.3037 26.4751 -24.6236 TIMING: 4294200 CPU: 13645.9, 0.00317442/step Wall: 13645.9, 0.00317442/step, 0.622363 hours remaining, 239.328125 MB of memory in use. ENERGY: 4294200 3912.2375 20667.0456 14409.7021 219.4921 -203114.4497 2339.1075 0.0000 0.0000 52043.1715 -109523.6933 299.0928 -161566.8648 -109157.6879 298.5358 -31.5806 2.1818 762968.2949 -10.1334 -9.9573 PRESSURE: 4294400 -288.204 -154.409 217.065 -154.409 -17.8171 -55.8695 217.066 -55.8687 -464.531 GPRESSURE: 4294400 -208.971 -154.965 280.283 -166.753 -54.9069 -24.3645 225.882 -12.2739 -421.424 PRESSAVG: 4294400 -53.6708 -62.7603 33.0106 -62.7603 25.6943 24.8865 33.0105 24.8865 -11.7667 GPRESSAVG: 4294400 -54.561 -61.1354 32.527 -62.4408 27.4991 24.7087 33.5178 25.7981 -12.0752 TIMING: 4294400 CPU: 13646.5, 0.0032121/step Wall: 13646.5, 0.0032121/step, 0.629571 hours remaining, 239.328125 MB of memory in use. ENERGY: 4294400 3978.5616 20400.1668 14481.7883 251.8061 -202812.6600 2402.0424 0.0000 0.0000 51793.4527 -109504.8421 297.6577 -161298.2948 -109142.7236 298.8531 -256.8505 -228.4339 762063.9103 -13.2477 -13.0457 PRESSURE: 4294600 -190.41 168.431 146.644 168.432 194.905 -152.973 146.643 -152.972 -681.572 GPRESSURE: 4294600 -140.999 113.955 121.078 51.195 167.195 -131.766 118.926 -156.617 -639.092 PRESSAVG: 4294600 24.2784 -74.6859 82.4944 -74.686 38.8287 19.417 82.4944 19.417 18.376 GPRESSAVG: 4294600 23.6888 -76.0992 83.4206 -74.5451 37.8002 20.9441 81.2639 18.245 19.5499 TIMING: 4294600 CPU: 13647.1, 0.00316535/step Wall: 13647.1, 0.00316535/step, 0.620232 hours remaining, 239.328125 MB of memory in use. ENERGY: 4294600 3969.9332 20632.7706 14435.9017 247.0396 -203276.3639 2459.1609 0.0000 0.0000 51927.1570 -109604.4008 298.4261 -161531.5578 -109239.6991 299.0217 -225.6924 -204.2986 761341.9910 27.1610 27.0129 PRESSURE: 4294800 -56.6963 -75.6623 115.819 -75.6627 198.978 -28.3896 115.819 -28.3898 -202.048 GPRESSURE: 4294800 6.20437 -149.623 229.429 -30.6595 173.427 -1.62236 77.4058 -54.8298 -143.292 PRESSAVG: 4294800 -24.2841 -71.4818 59.0685 -71.4818 -12.8618 -52.8464 59.0685 -52.8464 10.6133 GPRESSAVG: 4294800 -22.6463 -70.7625 58.966 -70.1563 -12.2311 -55.3333 60.1875 -51.7375 8.74107 TIMING: 4294800 CPU: 13647.8, 0.00315463/step Wall: 13647.8, 0.00315463/step, 0.617956 hours remaining, 239.328125 MB of memory in use. ENERGY: 4294800 3949.6434 20441.9152 14402.6562 245.2560 -203291.6734 2648.5610 0.0000 0.0000 51916.8484 -109686.7931 298.3668 -161603.6415 -109329.9600 298.4733 -19.9221 12.1132 760574.4426 -8.8442 -8.7121 PRESSURE: 4295000 62.4285 95.1599 -57.6202 95.1603 59.6042 -256.721 -57.62 -256.721 2.72554 GPRESSURE: 4295000 40.0615 160.669 0.688968 60.4436 141.045 -283.544 109.633 -164.619 38.1292 PRESSAVG: 4295000 27.4527 -14.8096 94.2704 -14.8097 0.720071 14.693 94.2704 14.693 -8.26675 GPRESSAVG: 4295000 26.1514 -15.6446 95.105 -14.9984 2.66922 14.8942 93.7245 15.0734 -8.1184 TIMING: 4295000 CPU: 13648.4, 0.00315927/step Wall: 13648.4, 0.00315927/step, 0.618691 hours remaining, 239.328125 MB of memory in use. ENERGY: 4295000 3963.1349 20286.2584 14411.1434 264.9514 -203011.9965 2374.7238 0.0000 0.0000 52040.1246 -109671.6600 299.0753 -161711.7846 -109307.9733 298.5483 41.5861 73.0788 761797.8846 6.6353 6.9007 PRESSURE: 4295200 304.222 -45.9004 244.488 -45.8994 146.674 10.6857 244.487 10.6853 157.708 GPRESSURE: 4295200 308.311 20.7465 256.125 -81.6057 216.046 -68.024 135.12 63.5743 171.037 PRESSAVG: 4295200 -36.4762 -68.7288 47.1236 -68.7288 54.9942 73.2533 47.1237 73.2533 18.9172 GPRESSAVG: 4295200 -35.6352 -66.3767 47.6692 -69.4341 53.378 73.6416 46.6289 72.5064 19.718 TIMING: 4295200 CPU: 13649, 0.00316569/step Wall: 13649, 0.00316569/step, 0.619772 hours remaining, 239.328125 MB of memory in use. ENERGY: 4295200 3959.5888 20318.4772 14443.6868 244.9407 -203279.1443 2489.5760 0.0000 0.0000 51956.4193 -109866.4554 298.5943 -161822.8747 -109506.6347 298.4266 202.8681 231.7981 761267.7429 12.4784 12.4869 PRESSURE: 4295400 65.8362 7.80093 -116.769 7.80115 42.0346 127.376 -116.77 127.376 252.78 GPRESSURE: 4295400 92.2442 -107.962 -50.0061 -22.1896 69.6797 54.5452 -196.323 124.79 263.648 PRESSAVG: 4295400 -17.8797 -45.9321 -24.6011 -45.932 -23.8005 10.0298 -24.6011 10.0299 33.1549 GPRESSAVG: 4295400 -17.4773 -47.6108 -25.693 -45.7804 -24.2334 9.42152 -24.8651 10.8212 33.5822 TIMING: 4295400 CPU: 13649.7, 0.00317808/step Wall: 13649.7, 0.00317808/step, 0.622022 hours remaining, 239.328125 MB of memory in use. ENERGY: 4295400 3946.3270 20466.9315 14389.9892 244.8962 -203277.4899 2538.6952 0.0000 0.0000 51889.4772 -109801.1735 298.2095 -161690.6507 -109446.4347 298.7019 120.2169 141.8573 761589.4300 -2.8418 -2.7095 PRESSURE: 4295600 206.33 -26.7403 -66.5135 -26.7402 -16.2776 206.691 -66.5133 206.691 295.805 GPRESSURE: 4295600 205.574 -3.39019 -87.8403 -20.7604 27.5697 243.084 -131.362 230.141 328.411 PRESSAVG: 4295600 -23.7206 -0.796691 0.416801 -0.796697 -13.8482 9.44491 0.416744 9.44488 16.8192 GPRESSAVG: 4295600 -23.2973 0.688662 0.336304 -2.13175 -14.0646 10.184 1.56481 9.80031 16.4918 TIMING: 4295600 CPU: 13650.3, 0.00316845/step Wall: 13650.3, 0.00316845/step, 0.61996 hours remaining, 239.328125 MB of memory in use. ENERGY: 4295600 3961.9693 20331.8683 14439.0409 237.5363 -203350.3678 2440.5659 0.0000 0.0000 52130.1459 -109809.2413 299.5927 -161939.3872 -109442.0282 298.9331 161.9526 187.1849 761301.2179 -6.9165 -6.9567 PRESSURE: 4295800 20.2868 -88.2337 186.913 -88.2338 2.64454 -121.232 186.912 -121.231 313.389 GPRESSURE: 4295800 46.0723 -49.6203 111.082 -71.7451 17.4784 -54.3288 204.808 -240.112 352.003 PRESSAVG: 4295800 -39.5791 -39.8655 27.9735 -39.8655 42.8768 23.0887 27.9735 23.0887 8.89993 GPRESSAVG: 4295800 -41.9184 -39.9503 28.0046 -38.7394 44.059 24.6095 27.2189 18.5223 9.75862 TIMING: 4295800 CPU: 13650.9, 0.00316042/step Wall: 13650.9, 0.00316041/step, 0.618212 hours remaining, 239.328125 MB of memory in use. ENERGY: 4295800 3971.2308 20477.9899 14497.2414 252.3079 -203654.9547 2657.5924 0.0000 0.0000 51901.7097 -109896.8827 298.2798 -161798.5924 -109540.4407 298.0872 112.1066 138.5179 759882.6224 4.0659 3.9664 PRESSURE: 4296000 99.9049 192.169 154.292 192.17 -75.2868 -382.711 154.292 -382.711 364.125 GPRESSURE: 4296000 133.117 114.372 117.333 150.689 -7.62675 -338.447 98.6849 -297.358 344.235 PRESSAVG: 4296000 -43.2116 -36.2175 2.20435 -36.2175 61.4987 -37.9992 2.20433 -37.9992 15.6517 GPRESSAVG: 4296000 -41.0713 -37.5897 3.63229 -35.2635 61.6886 -37.8638 2.14483 -34.9413 13.7532 TIMING: 4296000 CPU: 13651.6, 0.003161/step Wall: 13651.6, 0.003161/step, 0.618151 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4296000 4026.6482 20590.8433 14497.6873 252.3312 -203467.6397 2706.1324 0.0000 0.0000 51579.9925 -109814.0048 296.4309 -161393.9973 -109459.9752 298.3479 129.5809 156.5750 760323.7849 11.3129 11.4568 PRESSURE: 4296200 98.3085 -37.3608 75.8485 -37.3604 75.26 -188.576 75.8486 -188.576 17.4558 GPRESSURE: 4296200 52.413 -18.9801 62.2021 -44.0429 153.05 -208.284 45.182 -86.3679 70.9748 PRESSAVG: 4296200 0.832051 -31.236 30.7387 -31.236 17.5619 20.9976 30.7388 20.9977 -0.979636 GPRESSAVG: 4296200 -0.750725 -30.7819 29.1161 -32.0708 17.6671 20.4494 31.1085 21.147 0.268838 TIMING: 4296200 CPU: 13652.2, 0.00314953/step Wall: 13652.2, 0.00314953/step, 0.615733 hours remaining, 239.328125 MB of memory in use. ENERGY: 4296200 3981.6129 20328.1133 14403.0888 262.6434 -204111.0880 2995.3824 0.0000 0.0000 52134.4648 -110005.7824 299.6175 -162140.2471 -109649.0782 298.2859 63.6748 92.1458 760663.7456 5.8048 5.7284 LDB: ============= START OF LOAD BALANCING ============== 13664.6 LDB: ============== END OF LOAD BALANCING =============== 13664.6 LDB: =============== DONE WITH MIGRATION ================ 13664.6 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13664.9 LDB: Largest compute 7075 load 0.034608 is 17.7% of average load 0.195953 LDB: Average compute 0.004405 is 2.2% of average load 0.195953 LDB: TIME 13664.9 LOAD: AVG 0.195953 MAX 0.220653 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 13664.9 LOAD: AVG 0.195953 MAX 0.220653 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 13664.9 LOAD: AVG 0.195953 MAX 0.220653 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13664.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13664.9 PRESSURE: 4296400 -321.231 -49.6805 -40.6342 -49.6802 126.366 115.022 -40.6337 115.022 -183.887 GPRESSURE: 4296400 -301.652 -58.5236 16.8706 52.502 152.022 157.576 -54.6368 -12.7433 -129.84 PRESSAVG: 4296400 -53.2148 -38.3723 0.49517 -38.3723 59.6736 -13.6682 0.495174 -13.6681 18.9334 GPRESSAVG: 4296400 -52.6174 -37.4539 1.68604 -39.4326 60.8268 -16.4606 -2.31705 -12.8641 17.1043 TIMING: 4296400 CPU: 13652.9, 0.00327112/step Wall: 13652.9, 0.00327112/step, 0.639322 hours remaining, 237.843750 MB of memory in use. ENERGY: 4296400 3977.2979 20236.5937 14429.5362 239.1076 -203041.5616 2287.5982 0.0000 0.0000 52115.0556 -109756.3725 299.5059 -161871.4281 -109392.6005 298.6150 -126.2509 -93.1566 761311.0128 8.4641 8.4379 PRESSURE: 4296600 101.114 -45.6687 -176.311 -45.6671 80.4946 -76.6099 -176.311 -76.6099 326.346 GPRESSURE: 4296600 132.832 0.415759 -165.33 -62.2073 108.422 -52.3164 -166.883 86.5143 347.742 PRESSAVG: 4296600 -20.729 -44.5756 3.69971 -44.5756 34.8829 -44.6196 3.69967 -44.6196 8.01081 GPRESSAVG: 4296600 -22.6143 -46.3548 0.842828 -42.9984 34.9395 -42.2382 6.66472 -46.5597 9.6792 TIMING: 4296600 CPU: 13653.5, 0.00318466/step Wall: 13653.5, 0.00318466/step, 0.622248 hours remaining, 237.843750 MB of memory in use. ENERGY: 4296600 3870.1778 20390.3919 14392.9218 244.5629 -203402.0598 2648.6741 0.0000 0.0000 52087.3829 -109767.9483 299.3469 -161855.3312 -109414.5691 298.9099 169.3180 196.3318 761131.0995 7.3882 7.3348 PRESSURE: 4296800 -145.182 0.248319 -179.915 0.247503 -306.24 -52.8479 -179.915 -52.8479 336.762 GPRESSURE: 4296800 -109.697 19.5539 -201.467 13.6629 -220.762 -3.58519 -149.752 17.1394 310.554 PRESSAVG: 4296800 -23.6503 16.5013 -23.5679 16.5013 28.1033 4.94945 -23.5679 4.94949 5.07714 GPRESSAVG: 4296800 -21.9239 17.2716 -22.0359 14.6136 26.9441 2.42958 -22.5402 8.9458 4.50562 TIMING: 4296800 CPU: 13654.1, 0.00318491/step Wall: 13654.1, 0.00318491/step, 0.62212 hours remaining, 237.843750 MB of memory in use. ENERGY: 4296800 3922.7963 20534.9659 14428.2321 257.3544 -203453.1910 2485.9516 0.0000 0.0000 52154.0590 -109669.8317 299.7301 -161823.8907 -109319.5717 299.0255 -38.2200 -6.6349 761190.7915 3.1767 3.1753 PRESSURE: 4297000 30.5923 34.4847 374.813 34.4851 -367.058 -180.347 374.813 -180.347 -3.18318 GPRESSURE: 4297000 -17.3898 -28.6163 235.716 43.8292 -208.898 -262.983 384.239 -113.062 -23.6977 PRESSAVG: 4297000 43.02 22.9697 25.953 22.9696 18.5588 53.4275 25.953 53.4274 -21.1607 GPRESSAVG: 4297000 41.5954 23.3618 25.1311 22.9262 19.7372 54.7518 24.7861 52.0906 -20.2826 TIMING: 4297000 CPU: 13654.8, 0.00317349/step Wall: 13654.8, 0.00317349/step, 0.619713 hours remaining, 237.843750 MB of memory in use. ENERGY: 4297000 3960.8767 20485.9225 14431.5127 255.3235 -203353.7771 2443.2421 0.0000 0.0000 52019.9534 -109756.9462 298.9594 -161776.8996 -109399.7709 299.1368 -113.2164 -83.3286 759907.9662 13.4727 13.6833 PRESSURE: 4297200 -203.034 -91.0804 -114.591 -91.0799 106.064 -148.393 -114.592 -148.394 310.12 GPRESSURE: 4297200 -82.4502 -212.985 -168.457 -56.3932 88.2824 1.12381 -136.777 -152.108 287.334 PRESSAVG: 4297200 0.890653 -51.4253 25.5284 -51.4253 27.5789 -40.5341 25.5284 -40.5341 8.42345 GPRESSAVG: 4297200 2.00499 -53.5305 26.8853 -50.1698 27.6292 -38.8142 25.7188 -41.4603 7.15727 TIMING: 4297200 CPU: 13655.4, 0.00317997/step Wall: 13655.4, 0.00317997/step, 0.6208 hours remaining, 237.843750 MB of memory in use. ENERGY: 4297200 3948.4657 20487.7684 14426.2446 263.5931 -203544.6701 2578.8024 0.0000 0.0000 52015.6389 -109824.1570 298.9346 -161839.7959 -109466.8545 298.6237 71.0499 97.7221 761518.3356 12.2977 12.2638 PRESSURE: 4297400 444.767 98.6988 -0.624236 98.6985 28.6069 202.646 -0.624843 202.646 -75.6121 GPRESSURE: 4297400 445.669 31.1542 -120.504 129.223 -8.00746 162.197 93.7672 205.802 42.1147 PRESSAVG: 4297400 -10.2274 -37.3709 0.924456 -37.3709 4.59245 -16.6806 0.924442 -16.6805 -15.1309 GPRESSAVG: 4297400 -8.89838 -35.3156 1.34428 -37.7544 3.7602 -19.5697 -0.781963 -16.891 -14.779 TIMING: 4297400 CPU: 13656, 0.00318464/step Wall: 13656, 0.00318464/step, 0.621536 hours remaining, 237.843750 MB of memory in use. ENERGY: 4297400 3982.3794 20438.9628 14451.6741 246.5493 -203405.7853 2431.9843 0.0000 0.0000 52079.1259 -109775.1095 299.2995 -161854.2354 -109409.2336 298.4571 132.5873 159.9255 759790.7974 -6.9219 -6.6391 PRESSURE: 4297600 -81.1123 -38.6555 -320.728 -38.6559 -67.8178 -251.896 -320.728 -251.896 -161.705 GPRESSURE: 4297600 -149.001 -39.83 -324.282 -113.278 1.55714 -246.269 -208.656 -197.161 -99.6121 PRESSAVG: 4297600 41.1348 4.46227 -39.6666 4.46229 -26.8557 -39.4651 -39.6666 -39.4651 -4.80349 GPRESSAVG: 4297600 40.5465 6.41905 -40.2918 2.98127 -26.9508 -39.1982 -38.7088 -39.6417 -4.55889 TIMING: 4297600 CPU: 13656.7, 0.00318623/step Wall: 13656.7, 0.00318623/step, 0.621668 hours remaining, 237.843750 MB of memory in use. ENERGY: 4297600 3938.9161 20549.8409 14522.3475 251.6201 -202974.8472 2220.8435 0.0000 0.0000 51810.0484 -109681.2308 297.7531 -161491.2792 -109315.3850 298.5503 -103.5449 -82.3520 761697.4248 3.1585 3.0123 PRESSURE: 4297800 17.8618 2.3991 -82.8818 2.39905 -43.9468 228.627 -82.882 228.626 25.1821 GPRESSURE: 4297800 2.18103 -26.2847 -67.311 4.74459 95.1231 205.237 -55.6853 262.757 -4.89374 PRESSAVG: 4297800 52.5043 -64.003 -41.3346 -64.003 -66.3105 -19.5596 -41.3346 -19.5596 9.22631 GPRESSAVG: 4297800 52.5709 -66.5309 -40.243 -65.4604 -66.8496 -19.2734 -40.3672 -20.5188 9.80387 TIMING: 4297800 CPU: 13657.3, 0.00318225/step Wall: 13657.3, 0.00318225/step, 0.620715 hours remaining, 237.843750 MB of memory in use. ENERGY: 4297800 3999.0583 20385.6360 14376.4388 250.9283 -203685.2094 2662.9989 0.0000 0.0000 51996.9092 -110013.2398 298.8270 -162010.1491 -109648.7694 298.5928 -0.3010 30.8035 761155.2426 -1.5266 -1.4916 PRESSURE: 4298000 -64.7973 83.1043 174.107 83.1035 -143.717 11.4501 174.107 11.4491 -62.3436 GPRESSURE: 4298000 -76.8154 22.1535 130.085 21.458 -63.7097 -56.8051 113.037 -68.9284 -45.6289 PRESSAVG: 4298000 52.6159 -61.766 -34.1875 -61.7661 -25.179 -39.4917 -34.1875 -39.4916 -6.15565 GPRESSAVG: 4298000 51.6408 -62.3569 -37.6868 -59.7314 -24.474 -38.456 -34.7485 -39.345 -6.07236 TIMING: 4298000 CPU: 13657.9, 0.00317198/step Wall: 13657.9, 0.00317198/step, 0.618536 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4298000 3993.2770 20300.0410 14463.3722 235.4549 -203406.6475 2255.9924 0.0000 0.0000 52035.0125 -110123.4975 299.0459 -162158.5099 -109766.3912 298.3539 -90.2860 -62.0513 759081.5697 7.0938 7.0315 PRESSURE: 4298200 216.671 16.6031 -84.7107 16.604 -205.104 168.073 -84.7102 168.072 -56.6521 GPRESSURE: 4298200 253.009 -44.4104 -67.73 52.7191 -174.095 204.016 -86.0257 211.27 -26.832 PRESSAVG: 4298200 -1.24241 -78.6576 -28.7866 -78.6576 49.7299 33.9799 -28.7866 33.9799 3.39439 GPRESSAVG: 4298200 -0.965476 -77.8415 -27.7515 -77.892 50.6764 33.5299 -29.4719 34.6339 2.47326 TIMING: 4298200 CPU: 13658.6, 0.0031949/step Wall: 13658.6, 0.0031949/step, 0.622829 hours remaining, 237.843750 MB of memory in use. ENERGY: 4298200 3895.6296 20353.6732 14538.6115 238.8851 -203449.3031 2454.7482 0.0000 0.0000 51817.8478 -110149.9078 297.7979 -161967.7556 -109790.1869 298.4095 -15.0285 17.3607 761235.6483 17.2940 17.3947 PRESSURE: 4298400 -224.855 -54.0943 -35.2808 -54.0951 -24.3808 -200.862 -35.281 -200.861 -241.205 GPRESSURE: 4298400 -144.884 -76.1089 -93.978 -82.9985 6.29134 -179.02 46.453 -73.6004 -253.275 PRESSAVG: 4298400 18.6701 -8.53902 -12.9148 -8.53897 -4.33391 2.8391 -12.9148 2.83914 16.3167 GPRESSAVG: 4298400 19.4194 -7.483 -12.9084 -9.31426 -4.79299 4.40048 -13.3911 3.13729 15.9456 TIMING: 4298400 CPU: 13659.2, 0.00318138/step Wall: 13659.2, 0.00318138/step, 0.620016 hours remaining, 237.843750 MB of memory in use. ENERGY: 4298400 3977.7826 20406.5172 14443.4772 252.2755 -203716.9788 2522.9216 0.0000 0.0000 51757.4700 -110356.5348 297.4509 -162114.0048 -110004.9213 297.7129 -163.4801 -130.6224 761281.5121 10.2176 10.1906 PRESSURE: 4298600 226.601 -298.964 -3.33888 -298.963 58.1794 -42.6926 -3.33895 -42.6936 -97.4994 GPRESSURE: 4298600 258.782 -146.022 26.7421 -285.958 94.3111 -28.8266 -84.3294 19.3552 -84.0473 PRESSAVG: 4298600 -12.0469 44.1954 -67.1087 44.1954 -41.8801 -38.8033 -67.1087 -38.8034 25.3923 GPRESSAVG: 4298600 -12.5834 43.9503 -66.9162 42.8247 -42.4182 -39.9357 -65.0577 -38.5828 25.9638 TIMING: 4298600 CPU: 13659.8, 0.00315684/step Wall: 13659.8, 0.00315684/step, 0.615058 hours remaining, 237.843750 MB of memory in use. ENERGY: 4298600 3907.7149 20421.1292 14421.5514 238.4688 -203680.7103 2684.9336 0.0000 0.0000 51879.4313 -110127.4811 298.1518 -162006.9124 -109764.3291 298.2108 62.4271 89.6820 761855.8394 -9.5116 -9.6793 PRESSURE: 4298800 -159.125 72.372 -178.518 72.3719 -105.619 209.218 -178.518 209.218 350.678 GPRESSURE: 4298800 -127.41 0.124911 -148.506 -11.1514 0.239719 157.248 -193.31 205.135 285.381 PRESSAVG: 4298800 30.5206 -45.5398 -1.53578 -45.5398 -12.2487 -17.3378 -1.53577 -17.3378 -4.5794 GPRESSAVG: 4298800 31.1262 -46.6672 -0.697476 -43.7903 -12.6396 -17.9304 -4.81635 -16.4086 -4.91099 TIMING: 4298800 CPU: 13660.5, 0.00316736/step Wall: 13660.5, 0.00316736/step, 0.616932 hours remaining, 237.843750 MB of memory in use. ENERGY: 4298800 3981.9122 20405.8784 14440.0889 264.8164 -204229.2760 2989.6838 0.0000 0.0000 52065.5765 -110081.3198 299.2216 -162146.8963 -109706.1966 298.6595 28.6447 52.7371 761689.7870 4.5641 4.5252 PRESSURE: 4299000 409.075 -20.4805 43.4974 -20.4809 63.7839 -216.136 43.4975 -216.136 -255.867 GPRESSURE: 4299000 402.587 44.3402 71.3466 45.5806 74.29 -340.176 48.5535 -266.045 -181.402 PRESSAVG: 4299000 29.7382 2.26412 -86.3904 2.26411 -56.5418 -33.7356 -86.3904 -33.7357 18.3783 GPRESSAVG: 4299000 31.4152 2.92999 -86.1295 3.6072 -57.421 -33.6438 -85.687 -35.1323 17.7245 TIMING: 4299000 CPU: 13661.1, 0.00316694/step Wall: 13661.1, 0.00316694/step, 0.616674 hours remaining, 237.843750 MB of memory in use. ENERGY: 4299000 3990.9065 20729.1143 14466.3332 263.2324 -203833.9693 2674.4537 0.0000 0.0000 51751.0715 -109958.8576 297.4141 -161709.9291 -109603.8545 298.3906 72.3305 98.4920 761272.3660 -2.8084 -2.7604 PRESSURE: 4299200 457.522 -58.8085 -229.137 -58.8077 116.308 -16.8092 -229.137 -16.8093 135.784 GPRESSURE: 4299200 449.365 -37.7865 -245.901 -37.1301 198.496 34.0243 -97.4833 93.8513 145.694 PRESSAVG: 4299200 29.8365 -6.89787 -62.9975 -6.89784 -56.6153 -58.8817 -62.9975 -58.8818 -16.1281 GPRESSAVG: 4299200 27.5083 -6.52979 -64.2195 -7.94777 -55.2647 -58.9006 -59.6167 -58.5169 -14.7789 TIMING: 4299200 CPU: 13661.7, 0.00317306/step Wall: 13661.7, 0.00317306/step, 0.617689 hours remaining, 237.843750 MB of memory in use. ENERGY: 4299200 3987.3294 20478.7773 14394.7203 247.7741 -203898.1812 2882.3066 0.0000 0.0000 51864.3399 -110042.9337 298.0651 -161907.2736 -109675.0583 298.3402 236.5380 264.5184 761329.2296 -14.3023 -14.1784 PRESSURE: 4299400 -40.9997 -80.1102 26.064 -80.1102 -143.752 39.3201 26.0638 39.32 211.259 GPRESSURE: 4299400 69.5748 -141.219 -32.5992 -140.934 -139.892 26.9827 -64.8919 52.5173 188.255 PRESSAVG: 4299400 20.3695 -66.878 -21.0113 -66.878 21.4201 -2.09381 -21.0113 -2.09378 19.6096 GPRESSAVG: 4299400 19.7544 -68.734 -20.9978 -69.1595 22.3313 -0.0900714 -23.4295 -2.50349 18.6942 TIMING: 4299400 CPU: 13662.4, 0.00317325/step Wall: 13662.4, 0.00317325/step, 0.61755 hours remaining, 237.843750 MB of memory in use. ENERGY: 4299400 4076.4261 20468.2640 14352.4913 248.3738 -203729.0264 2560.3467 0.0000 0.0000 52077.1893 -109945.9351 299.2883 -162023.1244 -109576.8063 298.0649 8.8361 39.3126 760497.9096 20.4664 20.2599 PRESSURE: 4299600 -45.745 -75.0823 119.103 -75.0836 -113.456 38.9903 119.103 38.9921 172.336 GPRESSURE: 4299600 -26.6932 -125.282 190.039 2.72798 -26.6041 125.98 129.544 -91.3082 147.955 PRESSAVG: 4299600 4.38811 -75.0482 -7.21346 -75.0482 15.2694 -46.7691 -7.21348 -46.769 14.3301 GPRESSAVG: 4299600 5.42557 -73.8836 -5.04743 -73.447 13.3757 -48.9152 -8.49559 -48.2082 15.022 TIMING: 4299600 CPU: 13663, 0.00318649/step Wall: 13663, 0.00318649/step, 0.619949 hours remaining, 237.843750 MB of memory in use. ENERGY: 4299600 3988.5466 20568.4340 14470.8034 260.2931 -203598.6159 2598.8861 0.0000 0.0000 51862.4404 -109849.2123 298.0542 -161711.6527 -109488.9070 298.3784 4.3783 31.5524 761285.4737 11.3292 11.2744 PRESSURE: 4299800 -260.156 167.402 64.5252 167.402 249.92 164.707 64.5252 164.708 -285.478 GPRESSURE: 4299800 -203.387 105.214 -4.49242 246.508 262.445 117.647 126.332 58.6594 -260.333 PRESSAVG: 4299800 36.1792 -15.3509 -4.51922 -15.3509 -53.6305 -33.0113 -4.51933 -33.0113 2.42258 GPRESSAVG: 4299800 34.8108 -13.6761 -5.16683 -15.9163 -51.4157 -31.7392 -2.25039 -32.1137 1.69564 TIMING: 4299800 CPU: 13663.7, 0.00318231/step Wall: 13663.7, 0.00318231/step, 0.618959 hours remaining, 237.843750 MB of memory in use. ENERGY: 4299800 3915.4752 20450.0678 14402.1505 235.3579 -203672.9997 2587.7324 0.0000 0.0000 51984.1266 -110098.0891 298.7535 -162082.2158 -109723.4914 298.3344 -98.5715 -67.0915 761059.6914 -5.0096 -4.9698 PRESSURE: 4300000 -45.7278 -192.243 195.636 -192.243 126.421 62.0533 195.636 62.0528 145.204 GPRESSURE: 4300000 -25.4551 -202.994 146.511 -111.387 130.204 77.679 84.5695 82.0474 199.29 PRESSAVG: 4300000 -12.886 -35.6837 20.69 -35.6836 -11.7598 -37.1609 20.69 -37.1608 -0.937176 GPRESSAVG: 4300000 -11.5242 -36.6846 20.6937 -34.2101 -13.889 -37.7674 18.7157 -37.5199 -0.288542 TIMING: 4300000 CPU: 13664.3, 0.00319826/step Wall: 13664.3, 0.00319826/step, 0.621884 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4300000 3947.2401 20542.5913 14387.9292 237.9278 -203642.4074 2626.0625 0.0000 0.0000 51749.8199 -110150.8366 297.4069 -161900.6565 -109787.2179 298.5225 75.2993 101.3463 760964.2752 -8.5277 -8.5672 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4300000 WRITING COORDINATES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4300200 -55.3149 -7.98381 -123.619 -7.98461 -421.192 73.7734 -123.619 73.7722 -387.603 GPRESSURE: 4300200 -128.665 -70.1959 -75.0789 -120.532 -367.273 13.2649 -95.0562 41.1274 -268.673 PRESSAVG: 4300200 -0.791283 -62.9059 -7.91458 -62.9059 -30.5586 -11.1376 -7.91459 -11.1376 36.5873 GPRESSAVG: 4300200 -0.402043 -62.1735 -8.17756 -62.3953 -31.5822 -11.594 -7.40045 -12.0177 37.2195 TIMING: 4300200 CPU: 13665, 0.00329498/step Wall: 13665, 0.00329498/step, 0.640508 hours remaining, 237.843750 MB of memory in use. ENERGY: 4300200 3955.1809 20459.0194 14426.6674 266.4265 -203848.5981 2425.5297 0.0000 0.0000 52199.0313 -110116.7429 299.9886 -162315.7741 -109753.3746 298.4219 -288.0366 -254.8706 761081.7223 1.7458 1.7451 LDB: ============= START OF LOAD BALANCING ============== 13677.4 LDB: ============== END OF LOAD BALANCING =============== 13677.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13677.4 LDB: ============= START OF LOAD BALANCING ============== 13677.7 LDB: Largest compute 7026 load 0.033775 is 17.2% of average load 0.195973 LDB: Average compute 0.004418 is 2.3% of average load 0.195973 LDB: TIME 13677.7 LOAD: AVG 0.195973 MAX 0.216559 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13677.7 LOAD: AVG 0.195973 MAX 0.216559 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 13677.7 LOAD: AVG 0.195973 MAX 0.216559 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13677.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13677.7 PRESSURE: 4300400 248.638 116.892 76.3931 116.892 319.661 214.746 76.3923 214.746 219.251 GPRESSURE: 4300400 325.087 -4.17289 103.499 130.379 338.738 154.865 27.3542 157.342 231.6 PRESSAVG: 4300400 -28.7024 -24.6962 -18.2669 -24.6963 -2.25973 -36.6089 -18.2669 -36.6089 0.575417 GPRESSAVG: 4300400 -29.6141 -24.8436 -19.9488 -27.0993 -0.46081 -35.5784 -17.3153 -36.0313 -0.760436 TIMING: 4300400 CPU: 13665.6, 0.00325436/step Wall: 13665.6, 0.00325436/step, 0.63243 hours remaining, 238.664062 MB of memory in use. ENERGY: 4300400 3955.7642 20466.8202 14372.0216 259.0499 -204176.9544 3050.2249 0.0000 0.0000 51819.7400 -110253.3335 297.8088 -162073.0735 -109884.4033 298.2001 262.5168 298.4747 760185.5403 -10.1289 -10.2784 PRESSURE: 4300600 -25.2487 -281.592 -11.2814 -281.593 41.7911 -6.65239 -11.2809 -6.65234 -166.005 GPRESSURE: 4300600 71.3069 -195.428 97.9307 -172.134 1.83491 -2.04634 -79.7025 -13.9584 -139.38 PRESSAVG: 4300600 10.2468 -49.9695 -21.6955 -49.9695 -20.343 -75.0145 -21.6955 -75.0144 -16.6201 GPRESSAVG: 4300600 10.9896 -50.3704 -20.3922 -48.4867 -21.8047 -75.4949 -24.5277 -76.8065 -16.601 TIMING: 4300600 CPU: 13666.2, 0.00316125/step Wall: 13666.2, 0.00316125/step, 0.614161 hours remaining, 238.867188 MB of memory in use. ENERGY: 4300600 3974.6267 20395.6214 14405.0844 243.6902 -203927.4952 2676.7398 0.0000 0.0000 52014.5569 -110217.1758 298.9284 -162231.7327 -109835.9476 297.9167 -49.8209 -22.0795 762244.0026 -8.9054 -9.1387 PRESSURE: 4300800 59.6802 29.9688 87.5333 29.9699 -141.543 42.2677 87.5335 42.2694 150.802 GPRESSURE: 4300800 152.165 -62.1732 58.8675 95.4515 -162.048 -70.1136 51.0432 120.955 170.78 PRESSAVG: 4300800 22.2978 -22.2624 16.5242 -22.2625 -27.9879 -13.5141 16.5243 -13.5141 -11.0851 GPRESSAVG: 4300800 24.0394 -21.8338 15.1907 -25.3099 -28.9798 -14.8579 19.6694 -11.1121 -12.4117 TIMING: 4300800 CPU: 13666.9, 0.00313728/step Wall: 13666.9, 0.00313728/step, 0.60933 hours remaining, 238.867188 MB of memory in use. ENERGY: 4300800 3920.3527 20601.8394 14371.2192 254.1342 -203923.0392 2772.0353 0.0000 0.0000 52044.7948 -109958.6636 299.1022 -162003.4583 -109602.1110 298.3792 22.9798 53.6322 761223.3732 -5.5917 -5.7840 PRESSURE: 4301000 288.707 -145.929 -82.4588 -145.93 94.5696 182.538 -82.4592 182.538 364.195 GPRESSURE: 4301000 301.213 -168.525 -100.715 -257.453 160.902 228.218 -86.9153 183.31 357.759 PRESSAVG: 4301000 68.5045 -56.1135 -7.45713 -56.1135 -35.165 -31.4499 -7.45715 -31.4499 8.14685 GPRESSAVG: 4301000 65.3408 -59.3619 -7.17207 -54.1337 -33.2366 -29.9981 -6.74583 -32.7041 8.82648 TIMING: 4301000 CPU: 13667.5, 0.00314614/step Wall: 13667.5, 0.00314614/step, 0.610875 hours remaining, 238.867188 MB of memory in use. ENERGY: 4301000 3992.4855 20620.3201 14393.6033 249.3301 -203810.9424 2800.1741 0.0000 0.0000 51935.2291 -109819.8002 298.4725 -161755.0293 -109462.3739 299.1545 249.1572 273.2911 759302.0806 13.8288 13.6436 PRESSURE: 4301200 -193.746 34.8721 94.5589 34.8728 -20.6857 98.054 94.5601 98.0541 -36.7697 GPRESSURE: 4301200 -145.504 -58.0676 109.021 105.693 21.4616 99.0976 26.316 219.608 -35.0329 PRESSAVG: 4301200 22.0064 -41.4853 -17.1867 -41.4853 17.7864 -12.9948 -17.1867 -12.9948 -3.96537 GPRESSAVG: 4301200 23.7327 -39.597 -16.8585 -43.1959 15.2504 -13.4135 -18.4465 -12.4468 -3.35317 TIMING: 4301200 CPU: 13668.1, 0.00314721/step Wall: 13668.1, 0.00314721/step, 0.610908 hours remaining, 238.867188 MB of memory in use. ENERGY: 4301200 4006.0598 20555.6762 14362.1065 248.1875 -203652.7962 2737.9366 0.0000 0.0000 51900.1242 -109842.7055 298.2707 -161742.8297 -109484.7490 299.0659 -83.7338 -53.0252 761712.9406 11.9425 11.8766 PRESSURE: 4301400 -134.415 -305.134 118.511 -305.134 -238.279 -73.8492 118.512 -73.8494 -530.746 GPRESSURE: 4301400 -249.266 -298.832 16.6432 -180.466 -138.666 -35.4392 28.173 -164.381 -459.261 PRESSAVG: 4301400 6.24556 -1.08539 -44.8596 -1.0855 -11.4574 -43.9099 -44.8597 -43.9099 -46.0342 GPRESSAVG: 4301400 4.45372 -1.71328 -45.2853 -0.152588 -9.20547 -43.5463 -44.1994 -43.6828 -46.8296 TIMING: 4301400 CPU: 13668.8, 0.00318875/step Wall: 13668.8, 0.00318875/step, 0.618794 hours remaining, 238.867188 MB of memory in use. ENERGY: 4301400 3978.7359 20669.0794 14344.2424 241.8215 -203520.4360 2394.4275 0.0000 0.0000 52044.5463 -109847.5829 299.1007 -161892.1292 -109478.9041 298.7045 -301.1465 -282.3975 762936.6351 -17.0820 -17.1938 PRESSURE: 4301600 -28.493 2.56013 -290.347 2.56022 180.928 -16.9445 -290.347 -16.9437 -360.081 GPRESSURE: 4301600 28.834 -0.73147 -296.12 -29.5338 142.765 59.1627 -202.845 -55.9246 -290.664 PRESSAVG: 4301600 60.0523 -7.51601 -63.9588 -7.51602 -36.8255 25.2042 -63.9587 25.2043 7.9242 GPRESSAVG: 4301600 59.63 -7.74447 -62.2172 -8.09786 -38.5814 25.2712 -63.7365 26.8718 9.75188 TIMING: 4301600 CPU: 13669.4, 0.00320857/step Wall: 13669.4, 0.00320857/step, 0.622463 hours remaining, 238.867188 MB of memory in use. ENERGY: 4301600 3909.3064 20619.2477 14401.8743 244.8782 -203759.0591 2779.9635 0.0000 0.0000 52002.7596 -109801.0294 298.8606 -161803.7890 -109446.2699 299.0366 -69.2151 -39.6883 763294.4448 10.3837 10.2668 PRESSURE: 4301800 -322.078 49.8975 49.7004 49.8981 79.4586 78.1631 49.7015 78.163 -376.882 GPRESSURE: 4301800 -252.731 -16.0881 13.0367 110.462 41.9008 69.2344 151.507 -20.5883 -333.576 PRESSAVG: 4301800 -30.7994 -42.5332 10.1668 -42.5331 47.6031 -0.652703 10.1668 -0.652608 14.4833 GPRESSAVG: 4301800 -27.1715 -42.975 9.41754 -41.2844 46.7267 -1.05926 11.768 -1.3092 11.5688 TIMING: 4301800 CPU: 13670, 0.00318132/step Wall: 13670, 0.00318132/step, 0.616999 hours remaining, 238.867188 MB of memory in use. ENERGY: 4301800 3960.2767 20572.2757 14399.5311 243.0275 -203562.8110 2689.5372 0.0000 0.0000 52204.8019 -109493.3610 300.0217 -161698.1629 -109137.6426 299.4173 -206.5003 -181.4688 760452.6202 10.4290 10.3746 PRESSURE: 4302000 199.321 -50.7097 210.439 -50.7097 313.438 -179.89 210.439 -179.889 203.069 GPRESSURE: 4302000 203.787 -12.7456 197.346 -131.369 324.655 -122.187 60.5794 -223.242 248.972 PRESSAVG: 4302000 17.2541 -13.685 4.85361 -13.685 22.1076 -65.6399 4.85358 -65.64 -16.3958 GPRESSAVG: 4302000 13.8882 -12.3249 6.71788 -15.6163 23.2673 -65.383 1.54295 -68.0255 -14.5227 TIMING: 4302000 CPU: 13670.7, 0.00315342/step Wall: 13670.7, 0.00315342/step, 0.611413 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4302000 4055.3653 20495.9351 14433.2279 254.6735 -203610.4033 2796.3654 0.0000 0.0000 52314.6290 -109260.2071 300.6529 -161574.8361 -108892.6697 299.7688 238.6093 259.1379 760429.6391 7.6553 7.5443 PRESSURE: 4302200 -103.635 155.294 -89.2663 155.294 -207.727 -23.1216 -89.2657 -23.1224 -491.959 GPRESSURE: 4302200 -62.3156 159.736 -87.5874 130.825 -222.516 -63.7574 -2.67793 41.1182 -423.041 PRESSAVG: 4302200 -39.5912 -28.0147 51.3825 -28.0147 37.7645 -48.258 51.3825 -48.258 -3.27863 GPRESSAVG: 4302200 -39.065 -27.0202 49.2794 -27.5969 38.2668 -47.7615 51.5443 -46.8712 -4.78658 TIMING: 4302200 CPU: 13671.3, 0.00315902/step Wall: 13671.3, 0.00315902/step, 0.612322 hours remaining, 238.867188 MB of memory in use. ENERGY: 4302200 3912.6020 20821.5172 14373.7414 229.2833 -202970.0294 2405.7783 0.0000 0.0000 51898.3412 -109328.7660 298.2605 -161227.1072 -108969.5399 299.6192 -267.7739 -235.9573 763101.2423 -1.7018 -1.8616 PRESSURE: 4302400 -271.634 0.0373917 109.112 0.0373721 25.3492 -122.109 109.111 -122.111 -25.094 GPRESSURE: 4302400 -191.807 -40.0094 115.294 -82.4915 22.884 -184.135 27.962 1.64148 -12.9856 PRESSAVG: 4302400 55.9344 -11.4084 9.05566 -11.4084 -18.8764 -28.8805 9.05569 -28.8806 2.25587 GPRESSAVG: 4302400 56.4626 -9.87381 11.1389 -11.7511 -19.7249 -29.8532 10.5301 -28.8128 2.64307 TIMING: 4302400 CPU: 13671.9, 0.00315773/step Wall: 13671.9, 0.00315773/step, 0.611898 hours remaining, 238.867188 MB of memory in use. ENERGY: 4302400 4034.3390 20586.5076 14486.8450 249.4870 -203728.0158 2700.0785 0.0000 0.0000 52262.9824 -109407.7762 300.3561 -161670.7586 -109043.4910 299.6730 -90.4596 -60.6363 761775.4989 13.1046 13.1269 PRESSURE: 4302600 -89.0609 -8.00641 322.332 -8.00647 -237.513 -14.7073 322.333 -14.7082 22.485 GPRESSURE: 4302600 -133.091 44.9392 394.709 -15.6891 -90.1833 20.4488 38.1703 -53.7994 3.83388 PRESSAVG: 4302600 -31.4551 -30.735 8.37592 -30.7349 17.0622 -75.9632 8.37597 -75.963 12.8426 GPRESSAVG: 4302600 -33.3288 -32.7783 6.83179 -30.3743 18.3841 -74.7008 6.94174 -75.3363 13.3281 TIMING: 4302600 CPU: 13672.6, 0.0032118/step Wall: 13672.6, 0.00321179/step, 0.622196 hours remaining, 238.867188 MB of memory in use. ENERGY: 4302600 4008.1639 20593.9917 14510.0546 255.3565 -202970.2791 2406.0569 0.0000 0.0000 51819.0180 -109377.6374 297.8046 -161196.6554 -109009.8722 299.9415 -101.3628 -73.1468 762222.2157 -0.5168 -0.5389 PRESSURE: 4302800 69.5012 65.0655 -12.276 65.0649 -10.7621 2.50217 -12.2755 2.50157 -62.9915 GPRESSURE: 4302800 71.0787 93.6493 -94.2279 43.6844 68.6618 64.5991 41.6879 -19.2683 -66.1665 PRESSAVG: 4302800 -8.96196 -9.58965 8.69732 -9.58962 -6.61821 -13.4636 8.69738 -13.4635 -7.94783 GPRESSAVG: 4302800 -7.01207 -10.1501 8.0901 -8.82675 -7.81866 -13.8632 9.95768 -13.6759 -9.36447 TIMING: 4302800 CPU: 13673.2, 0.003177/step Wall: 13673.2, 0.003177/step, 0.61528 hours remaining, 238.867188 MB of memory in use. ENERGY: 4302800 3965.9093 20455.7919 14497.9496 256.2674 -203276.7389 2600.4210 0.0000 0.0000 52191.8032 -109308.5965 299.9470 -161500.3997 -108946.4387 299.5391 -1.4175 24.5247 761318.4776 -7.8427 -8.0651 PRESSURE: 4303000 106.711 -49.6961 304.398 -49.6962 419.823 -17.7152 304.398 -17.7157 254.999 GPRESSURE: 4303000 161.64 -5.5189 301.672 147.555 439.49 2.17354 200.651 29.7915 265.387 PRESSAVG: 4303000 4.76978 21.0763 -21.2582 21.0762 -6.21983 -61.971 -21.2582 -61.9711 20.2349 GPRESSAVG: 4303000 2.64299 21.4417 -20.5834 20.1517 -5.30922 -62.1933 -21.978 -59.2551 21.7624 TIMING: 4303000 CPU: 13673.9, 0.00320279/step Wall: 13673.9, 0.00320279/step, 0.620096 hours remaining, 238.867188 MB of memory in use. ENERGY: 4303000 3923.7103 20638.8224 14399.5721 265.9677 -203396.3761 2755.8825 0.0000 0.0000 52155.8008 -109256.6202 299.7401 -161412.4210 -108896.9627 300.2381 260.5108 288.8392 761495.6997 6.2616 6.3654 PRESSURE: 4303200 -178.088 174.252 -23.3316 174.253 -409.467 -148.264 -23.3319 -148.264 -450.532 GPRESSURE: 4303200 -138.961 52.169 -53.3636 71.7034 -382.345 -153.704 -70.7094 -193.972 -421.224 PRESSAVG: 4303200 38.6338 8.2194 83.4123 8.21944 -33.3771 -8.47401 83.4123 -8.47407 16.8788 GPRESSAVG: 4303200 39.054 9.10978 83.4558 7.94158 -32.9095 -8.57928 83.0042 -11.0358 15.8352 TIMING: 4303200 CPU: 13674.5, 0.00319157/step Wall: 13674.5, 0.00319157/step, 0.617746 hours remaining, 238.867188 MB of memory in use. ENERGY: 4303200 4078.5993 20567.7328 14452.2963 228.4019 -203429.3830 2561.7658 0.0000 0.0000 52294.8034 -109245.7834 300.5390 -161540.5868 -108893.2885 299.6478 -346.0291 -314.1767 762079.8511 7.3785 7.3266 PRESSURE: 4303400 -263.153 102.283 231.604 102.283 -365.598 -74.5564 231.604 -74.5576 262.556 GPRESSURE: 4303400 -287.078 78.9698 262.503 55.8491 -255.389 -46.382 108.388 27.7272 263.496 PRESSAVG: 4303400 13.062 15.0248 77.1984 15.0249 43.0925 -58.6262 77.1984 -58.6262 16.0878 GPRESSAVG: 4303400 13.453 13.6275 76.9098 14.399 42.2085 -58.8296 79.0661 -58.6014 16.5353 TIMING: 4303400 CPU: 13675.1, 0.00319407/step Wall: 13675.1, 0.00319407/step, 0.618052 hours remaining, 238.867188 MB of memory in use. ENERGY: 4303400 4010.3853 20606.9339 14500.7892 256.5034 -202688.2152 2232.7500 0.0000 0.0000 52010.6562 -109070.1972 298.9060 -161080.8534 -108698.4329 300.2638 -122.0651 -92.9905 762841.6228 24.0808 24.0656 PRESSURE: 4303600 -359.086 -174.846 67.6655 -174.846 -132.801 74.3768 67.6652 74.3772 74.6538 GPRESSURE: 4303600 -311.907 -131.206 0.609579 -92.1764 -28.4231 -23.9369 27.1922 39.0984 31.9194 PRESSAVG: 4303600 1.53585 -9.73863 -5.34329 -9.73859 7.56803 -28.5237 -5.34328 -28.5238 19.3094 GPRESSAVG: 4303600 2.3266 -10.6516 -4.27472 -6.94389 7.93585 -29.496 -6.5227 -27.7282 18.5021 TIMING: 4303600 CPU: 13675.8, 0.00321358/step Wall: 13675.8, 0.00321358/step, 0.621649 hours remaining, 238.867188 MB of memory in use. ENERGY: 4303600 3980.7294 20731.4967 14499.4316 254.4055 -203481.4927 2736.7130 0.0000 0.0000 52084.0341 -109194.6825 299.3277 -161278.7166 -108832.0133 299.5048 -139.0776 -102.8037 760467.8886 9.4711 9.5882 PRESSURE: 4303800 -26.8435 169.042 296.674 169.042 -123.945 23.0569 296.675 23.0568 24.0279 GPRESSURE: 4303800 -49.8993 187.844 343.675 9.91187 -86.5403 2.39993 201.455 -23.366 104.96 PRESSAVG: 4303800 1.52896 -40.1605 2.43852 -40.1605 50.5888 -21.3113 2.43846 -21.3113 4.73683 GPRESSAVG: 4303800 1.81901 -40.8394 0.879376 -41.284 50.5109 -20.9526 2.63615 -20.6395 4.35944 TIMING: 4303800 CPU: 13676.4, 0.00318546/step Wall: 13676.4, 0.00318546/step, 0.616033 hours remaining, 238.867188 MB of memory in use. ENERGY: 4303800 3956.7636 20542.3327 14482.8918 265.7320 -203158.5955 2359.0311 0.0000 0.0000 52124.1524 -109427.6919 299.5582 -161551.8443 -109075.0546 299.5103 -42.2535 -10.4931 761096.9909 18.9515 18.8964 PRESSURE: 4304000 4.16213 189.704 139.291 189.703 45.7497 -224.406 139.29 -224.405 390.606 GPRESSURE: 4304000 -3.55592 168.649 220.128 170.712 140.356 -164.081 104.086 -251.293 377.923 PRESSAVG: 4304000 -36.795 -55.38 26.7826 -55.38 28.1471 -37.1847 26.7825 -37.1846 -1.54164 GPRESSAVG: 4304000 -37.388 -54.2883 27.0397 -56.7252 28.5656 -37.3837 27.3774 -38.3708 -1.60738 TIMING: 4304000 CPU: 13677.1, 0.00320151/step Wall: 13677.1, 0.00320151/step, 0.618958 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4304000 3996.1151 20593.1873 14504.6109 269.3615 -203689.8157 2763.2769 0.0000 0.0000 51884.4714 -109678.7926 298.1808 -161563.2640 -109316.2708 299.6074 146.8393 171.5743 760788.2036 -3.3965 -3.4766 PRESSURE: 4304200 -13.6216 -0.601314 234.087 -0.601917 272.072 -154.802 234.087 -154.802 -131.268 GPRESSURE: 4304200 85.5374 1.49194 196.671 58.5009 203.354 -201.531 112.063 -131.485 -93.6748 PRESSAVG: 4304200 -48.0275 -8.93444 11.6654 -8.93455 47.6739 -39.8949 11.6655 -39.8949 -0.649606 GPRESSAVG: 4304200 -46.8567 -9.15601 11.5439 -5.76662 47.1153 -37.6311 10.3016 -41.8183 -0.958712 TIMING: 4304200 CPU: 13677.7, 0.00316219/step Wall: 13677.7, 0.00316219/step, 0.61118 hours remaining, 238.867188 MB of memory in use. ENERGY: 4304200 3960.0226 20610.5249 14463.1100 258.0798 -203392.0417 2562.2325 0.0000 0.0000 51740.3799 -109797.6921 297.3527 -161538.0720 -109435.3439 298.9379 42.3940 65.0723 761695.7898 -0.3344 -0.2334 LDB: ============= START OF LOAD BALANCING ============== 13690.1 LDB: ============== END OF LOAD BALANCING =============== 13690.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13690.1 LDB: ============= START OF LOAD BALANCING ============== 13690.4 LDB: Largest compute 7067 load 0.034709 is 17.7% of average load 0.196011 LDB: Average compute 0.004398 is 2.2% of average load 0.196011 LDB: TIME 13690.4 LOAD: AVG 0.196011 MAX 0.222954 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 13690.4 LOAD: AVG 0.196011 MAX 0.222954 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 13690.4 LOAD: AVG 0.196011 MAX 0.222954 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 13690.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13690.4 PRESSURE: 4304400 -222.404 1.47786 117.316 1.47789 313.15 79.2234 117.315 79.2244 29.6815 GPRESSURE: 4304400 -108.619 -30.776 99.0399 54.4221 197.061 50.302 130.977 78.8511 102.879 PRESSAVG: 4304400 -0.406748 -63.2735 -36.7249 -63.2736 1.00116 -26.0848 -36.725 -26.0848 -9.86078 GPRESSAVG: 4304400 0.101305 -63.0981 -35.5964 -65.047 0.158284 -25.7538 -38.1845 -25.9612 -8.8199 TIMING: 4304400 CPU: 13678.3, 0.00322303/step Wall: 13678.3, 0.00322303/step, 0.622761 hours remaining, 237.843750 MB of memory in use. ENERGY: 4304400 4013.5854 20623.1328 14425.2607 253.6153 -203382.0441 2569.9226 0.0000 0.0000 51930.5624 -109565.9648 298.4457 -161496.5272 -109212.8359 298.6684 40.1426 63.7734 761016.4003 -3.0888 -2.8534 PRESSURE: 4304600 -181.616 -28.2724 -70.1249 -28.2717 -164.327 -45.7787 -70.1254 -45.7776 76.5332 GPRESSURE: 4304600 -237.076 40.8221 -141.473 -86.7325 -62.2525 33.4661 -116.742 64.6245 99.4439 PRESSAVG: 4304600 5.23142 -25.785 13.2084 -25.7851 7.72121 -13.4092 13.2084 -13.4092 9.49086 GPRESSAVG: 4304600 5.34885 -26.3911 11.3885 -24.4592 9.06696 -12.6538 17.2402 -13.8621 8.08308 TIMING: 4304600 CPU: 13679, 0.00314141/step Wall: 13679, 0.00314141/step, 0.606816 hours remaining, 237.843750 MB of memory in use. ENERGY: 4304600 4034.9240 20417.9445 14414.2272 240.2775 -203270.6539 2682.3116 0.0000 0.0000 51999.7421 -109481.2271 298.8432 -161480.9692 -109130.7101 299.4084 -89.8032 -66.6282 761017.6465 7.4812 7.4996 PRESSURE: 4304800 100.172 112.003 5.46199 112.003 408.173 53.3746 5.46208 53.3743 -43.4343 GPRESSURE: 4304800 289.183 140.501 30.0866 160.424 363.987 42.8277 -7.40323 15.3887 -87.8298 PRESSAVG: 4304800 -2.31879 -29.0109 -0.247892 -29.0109 18.1594 10.4681 -0.247877 10.468 19.522 GPRESSAVG: 4304800 -3.712 -29.2628 0.563196 -29.6762 17.4917 9.42412 -1.1178 10.2808 21.599 TIMING: 4304800 CPU: 13679.6, 0.0031728/step Wall: 13679.6, 0.0031728/step, 0.612703 hours remaining, 237.843750 MB of memory in use. ENERGY: 4304800 3972.1168 20430.6784 14392.1237 240.8535 -203320.1984 2791.6941 0.0000 0.0000 52159.1716 -109333.5603 299.7595 -161492.7319 -108989.8696 299.2348 154.9702 188.4468 759535.5755 11.7875 11.7929 PRESSURE: 4305000 -395.585 -66.2701 -146.295 -66.2684 -455.618 -100.331 -146.295 -100.331 -188.581 GPRESSURE: 4305000 -479.441 -75.5421 -69.3939 -145.772 -272.759 -157.283 -209.366 -87.2451 -200.717 PRESSAVG: 4305000 -56.4323 -52.8353 -10.3959 -52.8353 63.5858 23.3744 -10.3959 23.3743 -22.0859 GPRESSAVG: 4305000 -56.3662 -51.551 -9.71878 -52.3324 64.0072 23.8818 -9.53141 24.3791 -22.3186 TIMING: 4305000 CPU: 13680.2, 0.00318569/step Wall: 13680.2, 0.00318569/step, 0.615015 hours remaining, 237.843750 MB of memory in use. ENERGY: 4305000 4091.3836 20405.9093 14438.9006 251.4709 -203301.4421 2332.7517 0.0000 0.0000 52240.3327 -109540.6933 300.2259 -161781.0260 -109184.0011 299.6398 -346.5947 -317.6391 760242.3287 -4.9775 -4.8925 PRESSURE: 4305200 -348.686 -254.148 116.464 -254.148 68.2751 -191.993 116.464 -191.994 256.971 GPRESSURE: 4305200 -289.773 -282.136 125.704 -250.041 78.5944 -24.6544 138.138 -157.303 255.564 PRESSAVG: 4305200 -40.7553 2.5823 -13.6089 2.58232 65.5293 5.96263 -13.6088 5.96266 5.70227 GPRESSAVG: 4305200 -39.0238 2.05924 -15.1219 3.14201 65.747 6.06473 -15.3758 6.89719 4.14227 TIMING: 4305200 CPU: 13680.9, 0.00322738/step Wall: 13680.9, 0.00322738/step, 0.622885 hours remaining, 237.843750 MB of memory in use. ENERGY: 4305200 4014.7090 20461.5627 14486.8475 248.9662 -203017.9039 2200.7772 0.0000 0.0000 52116.3725 -109488.6688 299.5135 -161605.0413 -109118.8563 299.3092 -7.8133 14.7951 761507.3902 10.1588 10.2885 PRESSURE: 4305400 141.569 30.2335 239.647 30.2329 193.129 63.9114 239.646 63.9124 102.241 GPRESSURE: 4305400 250.665 64.1403 232.499 -80.3355 193.309 98.4725 170.298 15.4031 57.658 PRESSAVG: 4305400 -41.9293 20.0642 -0.646031 20.0642 58.378 -13.6287 -0.646072 -13.6286 -2.31653 GPRESSAVG: 4305400 -41.9306 22.4215 -0.104541 18.1737 57.2917 -14.3706 -0.279357 -13.6827 -0.856542 TIMING: 4305400 CPU: 13681.5, 0.00317852/step Wall: 13681.5, 0.00317852/step, 0.613278 hours remaining, 237.843750 MB of memory in use. ENERGY: 4305400 4010.8525 20410.6685 14420.8349 244.3911 -203418.0241 2852.6470 0.0000 0.0000 52120.1412 -109358.4890 299.5352 -161478.6302 -109009.0715 299.4815 145.6464 167.2109 762166.5007 4.7107 4.8348 PRESSURE: 4305600 99.4162 -12.4103 6.84641 -12.4106 -215.351 -3.63566 6.84673 -3.63537 145.452 GPRESSURE: 4305600 126.173 -170.152 -9.30966 6.5981 -150.98 78.0819 71.3294 -23.0836 155.341 PRESSAVG: 4305600 -12.6152 -7.93159 12.8215 -7.93158 -4.90544 26.1365 12.8215 26.1365 -28.5559 GPRESSAVG: 4305600 -13.2949 -10.0692 13.1101 -6.47518 -4.53017 25.351 14.1472 26.0302 -28.6149 TIMING: 4305600 CPU: 13682.1, 0.00317873/step Wall: 13682.1, 0.00317873/step, 0.613142 hours remaining, 237.843750 MB of memory in use. ENERGY: 4305600 3983.1323 20340.1844 14510.5296 237.7975 -202904.6569 2493.1735 0.0000 0.0000 52239.3204 -109100.5192 300.2201 -161339.8395 -108734.7752 299.3781 9.8391 43.5113 763634.4882 -15.3589 -15.4800 PRESSURE: 4305800 557.214 -274.062 -169.578 -274.061 -55.0562 87.8868 -169.578 87.8872 -2.68109 GPRESSURE: 4305800 556.204 -219.579 -158.511 -175.973 -38.4893 127.608 -116.275 1.54841 55.4575 PRESSAVG: 4305800 12.4999 5.76797 0.175684 5.76795 -73.9772 -34.1692 0.175662 -34.1692 -2.79355 GPRESSAVG: 4305800 14.0105 7.16947 0.533593 4.4825 -74.7006 -34.4933 0.358224 -34.2818 -3.41123 TIMING: 4305800 CPU: 13682.8, 0.00316894/step Wall: 13682.8, 0.00316894/step, 0.611078 hours remaining, 237.843750 MB of memory in use. ENERGY: 4305800 4039.0970 20505.2527 14537.1953 237.6019 -203589.8555 3011.6911 0.0000 0.0000 52091.4766 -109167.5409 299.3704 -161259.0175 -108817.3337 299.6645 166.4923 191.0574 762063.6507 -21.4236 -21.3671 PRESSURE: 4306000 72.1585 -65.634 183.976 -65.6348 -53.8177 0.266228 183.976 0.266223 -55.2704 GPRESSURE: 4306000 146.965 4.17688 126.33 -45.1942 -47.1561 85.3983 251.623 -79.7512 -62.6846 PRESSAVG: 4306000 44.6977 -29.2789 22.9012 -29.2789 -10.2149 -13.11 22.9011 -13.1101 -8.86593 GPRESSAVG: 4306000 44.6627 -31.1205 23.6199 -27.3913 -10.7034 -11.2753 21.8471 -14.7575 -8.35214 TIMING: 4306000 CPU: 13683.4, 0.00317404/step Wall: 13683.4, 0.00317404/step, 0.611885 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4306000 4010.6687 20513.2382 14523.8155 245.6540 -202985.9290 2535.2465 0.0000 0.0000 52123.7640 -109033.5421 299.5560 -161157.3061 -108680.3171 300.0965 -12.3099 12.3747 761278.1800 8.5390 8.5357 PRESSURE: 4306200 -8.21114 -46.3842 -74.2611 -46.3848 -204.361 226.417 -74.2612 226.418 358.996 GPRESSURE: 4306200 -7.04136 11.1705 -100.977 -84.0344 -142.292 274.395 -91.307 288.06 388.559 PRESSAVG: 4306200 -3.3721 1.68265 22.1329 1.68258 17.0929 -7.67163 22.1329 -7.67156 15.1345 GPRESSAVG: 4306200 -4.1478 1.62311 21.9413 1.80148 18.1212 -9.24234 22.5226 -5.11768 15.0437 TIMING: 4306200 CPU: 13684, 0.00315797/step Wall: 13684, 0.00315797/step, 0.608611 hours remaining, 237.843750 MB of memory in use. ENERGY: 4306200 4028.3385 20547.8616 14438.6804 257.7602 -202793.3106 2206.8768 0.0000 0.0000 52254.4850 -109059.3081 300.3072 -161313.7932 -108700.7919 300.3164 48.8078 79.7418 759418.6791 9.6184 9.6724 PRESSURE: 4306400 181.61 6.39693 -135.048 6.39712 199.074 231.925 -135.048 231.925 219.283 GPRESSURE: 4306400 235.28 -57.2229 -126.079 73.9846 292.597 231.551 -78.1596 206.751 151.013 PRESSAVG: 4306400 4.28758 -51.4735 -4.96725 -51.4736 -0.900244 -3.52457 -4.96724 -3.52451 -1.93993 GPRESSAVG: 4306400 5.27607 -50.6747 -6.27537 -51.1287 -0.0655734 -2.93645 -5.48325 -2.59067 -2.9181 TIMING: 4306400 CPU: 13684.7, 0.00315654/step Wall: 13684.7, 0.00315654/step, 0.608161 hours remaining, 237.843750 MB of memory in use. ENERGY: 4306400 3994.4361 20517.8963 14490.7314 258.4122 -203389.9705 2515.9069 0.0000 0.0000 52525.7274 -109086.8600 301.8661 -161612.5874 -108718.0611 300.1689 199.9889 226.2966 759678.8662 0.4825 0.7641 PRESSURE: 4306600 -175.583 124.81 221.889 124.81 92.5865 -353.6 221.889 -353.6 74.4608 GPRESSURE: 4306600 -20.9791 56.3766 246.38 132.148 52.946 -384.151 143.878 -343.28 39.2086 PRESSAVG: 4306600 12.1941 -44.3115 41.2993 -44.3115 27.8074 16.4327 41.2993 16.4328 24.2213 GPRESSAVG: 4306600 10.7527 -44.2749 40.6642 -46.1062 28.7425 16.7451 43.4756 15.067 24.659 TIMING: 4306600 CPU: 13685.3, 0.00316115/step Wall: 13685.3, 0.00316115/step, 0.608872 hours remaining, 237.843750 MB of memory in use. ENERGY: 4306600 3954.0455 20523.2320 14452.2013 248.1022 -202821.7323 2261.9044 0.0000 0.0000 52084.2897 -109297.9572 299.3291 -161382.2469 -108931.5196 300.0004 -2.8451 23.7252 760832.4376 21.4076 21.3848 PRESSURE: 4306800 178.67 -39.7103 270.189 -39.71 -14.3723 -46.0379 270.19 -46.0375 94.9736 GPRESSURE: 4306800 161.653 68.6984 198.008 -107.787 10.0815 -15.9744 210.356 -80.9651 181.967 PRESSAVG: 4306800 -7.91973 -88.0383 -37.5534 -88.0383 8.27401 -61.9924 -37.5535 -61.9923 -19.4876 GPRESSAVG: 4306800 -6.96175 -88.0249 -36.8294 -89.1176 7.34424 -60.9502 -39.472 -62.7501 -19.5986 TIMING: 4306800 CPU: 13685.9, 0.00318745/step Wall: 13685.9, 0.00318745/step, 0.613761 hours remaining, 237.843750 MB of memory in use. ENERGY: 4306800 3909.6493 20387.5341 14442.2959 262.3163 -202734.2690 2382.3907 0.0000 0.0000 52004.3054 -109345.7773 298.8695 -161350.0827 -108981.7075 299.3318 86.4236 117.9006 762278.6107 -6.3778 -6.4054 PRESSURE: 4307000 1.76167 -141.027 -301.516 -141.026 -37.5712 -29.4271 -301.515 -29.4267 65.6722 GPRESSURE: 4307000 13.1543 -138.127 -313.327 38.9756 -39.1025 -19.5834 -302.501 28.4437 145.085 PRESSAVG: 4307000 20.0078 -58.3393 33.2819 -58.3392 -21.7734 8.83333 33.2819 8.83321 -15.2199 GPRESSAVG: 4307000 19.4629 -57.1451 34.0898 -56.6861 -22.814 8.55122 31.4393 9.3019 -13.7062 TIMING: 4307000 CPU: 13686.6, 0.00315959/step Wall: 13686.6, 0.00315959/step, 0.608221 hours remaining, 237.843750 MB of memory in use. ENERGY: 4307000 3971.7565 20371.7560 14396.1000 237.7712 -202793.4297 2117.6900 0.0000 0.0000 52371.9226 -109326.4334 300.9822 -161698.3559 -108947.4771 299.6892 9.9542 39.7123 761331.1393 -5.6619 -5.6858 PRESSURE: 4307200 -388.856 127.695 -35.4183 127.695 -280.808 -166.658 -35.4184 -166.658 92.6589 GPRESSURE: 4307200 -260.644 150.231 55.2104 -27.8966 -271.084 -163.988 -116.838 -172.752 35.0189 PRESSAVG: 4307200 17.76 -38.9163 31.9602 -38.9163 -6.99443 -26.5935 31.9601 -26.5934 -13.6224 GPRESSAVG: 4307200 18.9984 -39.7728 31.4361 -40.8119 -6.31918 -26.5921 35.3805 -26.6284 -15.2175 TIMING: 4307200 CPU: 13687.2, 0.00316346/step Wall: 13687.2, 0.00316346/step, 0.608791 hours remaining, 237.843750 MB of memory in use. ENERGY: 4307200 4012.2225 20435.2278 14389.3117 235.3326 -202765.6937 2278.5556 0.0000 0.0000 51996.8918 -109418.1518 298.8269 -161415.0436 -109047.3714 299.3856 -192.3350 -165.5697 762795.7158 -0.9523 -0.8461 PRESSURE: 4307400 -144.75 -19.0807 -197.085 -19.0808 -121.553 -60.6049 -197.085 -60.6056 -50.2961 GPRESSURE: 4307400 -47.2124 20.8155 -183.201 42.2964 -148.302 7.93956 -141.23 -124.849 -52.3096 PRESSAVG: 4307400 -7.49725 4.76345 19.3835 4.76342 0.296362 -30.8401 19.3835 -30.8401 -14.4076 GPRESSAVG: 4307400 -8.046 4.16611 19.8039 5.72854 -0.614718 -30.0407 17.03 -30.1764 -13.5387 TIMING: 4307400 CPU: 13687.8, 0.00317739/step Wall: 13687.8, 0.00317739/step, 0.611295 hours remaining, 237.843750 MB of memory in use. ENERGY: 4307400 4002.5380 20567.2235 14433.7812 215.7630 -202780.8793 2042.2121 0.0000 0.0000 52082.5681 -109436.7933 299.3192 -161519.3615 -109067.0285 299.5258 -105.5329 -82.6078 762006.4346 -7.2028 -7.3998 PRESSURE: 4307600 -271.51 -123.662 -126.97 -123.661 -447.833 39.4392 -126.97 39.4384 -211.018 GPRESSURE: 4307600 -242.2 -60.1713 -239.551 -59.9287 -357.007 -55.7992 -59.6174 61.8725 -244.425 PRESSAVG: 4307600 37.5216 -18.5903 19.7583 -18.5904 -50.3124 30.0536 19.7583 30.0536 20.6754 GPRESSAVG: 4307600 37.2165 -19.7703 17.7427 -16.615 -49.7287 29.2036 21.4585 27.6914 20.587 TIMING: 4307600 CPU: 13688.5, 0.00318105/step Wall: 13688.5, 0.00318105/step, 0.611822 hours remaining, 237.843750 MB of memory in use. ENERGY: 4307600 3984.8477 20536.7848 14411.6791 240.3676 -202891.2204 2093.7206 0.0000 0.0000 52171.6846 -109452.1359 299.8314 -161623.8205 -109089.4180 299.2823 -310.1206 -281.2103 760543.2353 2.6282 2.6916 PRESSURE: 4307800 -73.1697 -50.0155 -88.1058 -50.015 111.1 117.02 -88.1059 117.02 427.279 GPRESSURE: 4307800 -0.352973 -119.784 -155.376 -123.386 103.487 39.4656 -230.185 184.114 440.622 PRESSAVG: 4307800 -37.4064 -58.9539 75.2907 -58.9539 23.9571 -27.1669 75.2906 -27.1669 3.02709 GPRESSAVG: 4307800 -37.767 -58.9038 75.7121 -60.4366 24.3073 -26.4245 74.2577 -26.5429 2.93967 TIMING: 4307800 CPU: 13689.1, 0.00316041/step Wall: 13689.1, 0.00316041/step, 0.607676 hours remaining, 237.843750 MB of memory in use. ENERGY: 4307800 4003.4131 20442.2885 14396.2863 237.3041 -203199.2237 2550.8446 0.0000 0.0000 52349.1983 -109219.8888 300.8516 -161569.0871 -108848.9801 299.7078 155.0697 181.2520 760209.0338 -3.4741 -3.5067 PRESSURE: 4308000 -202.619 -281.326 86.3827 -281.326 -78.3532 -101.875 86.3828 -101.874 407.32 GPRESSURE: 4308000 -165 -291.911 76.2946 -257.141 -73.2498 -151.457 93.0164 -137.078 455.4 PRESSAVG: 4308000 -12.4521 -13.8296 31.5541 -13.8296 29.8794 -60.9954 31.554 -60.9954 -1.74332 GPRESSAVG: 4308000 -11.4798 -15.5235 32.1718 -12.2461 29.3276 -60.7738 32.1318 -59.4438 -1.88577 TIMING: 4308000 CPU: 13689.7, 0.00315344/step Wall: 13689.7, 0.00315344/step, 0.606162 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4308000 4003.1830 20423.0496 14366.5858 246.6189 -203151.1968 2572.1384 0.0000 0.0000 52402.5788 -109137.0423 301.1583 -161539.6211 -108781.0609 300.0820 42.1160 72.3835 760048.1331 5.2280 5.3207 PRESSURE: 4308200 120.168 -141.22 -42.532 -141.219 33.5692 -7.76909 -42.5314 -7.76882 227.515 GPRESSURE: 4308200 61.4269 -68.4442 -119.088 -178.611 183.199 13.6847 92.2236 20.5772 221.357 PRESSAVG: 4308200 -17.2209 -41.572 45.2421 -41.572 30.0291 -21.781 45.2421 -21.7812 18.2564 GPRESSAVG: 4308200 -17.7932 -38.2662 46.7092 -43.4349 30.9574 -22.7958 44.7414 -22.4681 17.2111 TIMING: 4308200 CPU: 13690.4, 0.00317387/step Wall: 13690.4, 0.00317387/step, 0.609912 hours remaining, 237.843750 MB of memory in use. ENERGY: 4308200 4040.5618 20480.2204 14419.4014 252.1743 -203064.7757 2367.4076 0.0000 0.0000 52356.5277 -109148.4825 300.8937 -161505.0102 -108784.9162 300.1980 127.0841 155.3274 758737.5554 10.3548 10.1251 LDB: ============= START OF LOAD BALANCING ============== 13702.8 LDB: ============== END OF LOAD BALANCING =============== 13702.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13702.8 LDB: ============= START OF LOAD BALANCING ============== 13703.1 LDB: Largest compute 7075 load 0.036083 is 18.4% of average load 0.195920 LDB: Average compute 0.004418 is 2.3% of average load 0.195920 LDB: TIME 13703.1 LOAD: AVG 0.19592 MAX 0.218517 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 13703.1 LOAD: AVG 0.19592 MAX 0.218517 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: TIME 13703.1 LOAD: AVG 0.19592 MAX 0.218517 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13703.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13703.1 PRESSURE: 4308400 -239.033 -73.0404 -178.33 -73.0403 456.778 46.216 -178.33 46.2164 411.049 GPRESSURE: 4308400 -130.471 -63.2807 -143.629 -218.703 477.833 10.8797 -116.384 135.733 365.845 PRESSAVG: 4308400 -37.1496 -75.9289 75.1267 -75.9289 53.9434 31.363 75.1266 31.3629 -18.8131 GPRESSAVG: 4308400 -37.3187 -79.0308 73.6598 -74.0157 52.4477 29.5578 75.6201 32.3425 -18.0574 TIMING: 4308400 CPU: 13691, 0.00323741/step Wall: 13691, 0.00323741/step, 0.621942 hours remaining, 239.898438 MB of memory in use. ENERGY: 4308400 4048.6324 20467.3650 14350.5810 259.7114 -203178.0739 2707.7112 0.0000 0.0000 52184.9885 -109159.0845 299.9078 -161344.0730 -108792.0744 299.8473 209.5980 237.7355 759851.9174 -0.6731 -0.9761 PRESSURE: 4308600 485.786 43.6104 22.2392 43.61 -153.06 65.8421 22.2377 65.8431 186.718 GPRESSURE: 4308600 494.403 -31.8484 10.7277 155.55 -32.2217 135.747 2.64498 120.535 135.877 PRESSAVG: 4308600 -29.6557 -10.0606 1.63724 -10.0606 7.52096 17.0616 1.63728 17.0616 21.4149 GPRESSAVG: 4308600 -31.3101 -8.93491 2.36531 -11.7888 8.67883 18.7051 1.24456 14.9935 21.7677 TIMING: 4308600 CPU: 13691.7, 0.00321169/step Wall: 13691.7, 0.00321169/step, 0.616822 hours remaining, 239.964844 MB of memory in use. ENERGY: 4308600 4034.0993 20554.6211 14361.7226 246.4676 -203313.4572 2737.1507 0.0000 0.0000 52186.9231 -109192.4727 299.9190 -161379.3958 -108833.9640 299.8921 173.1481 199.3527 760879.7703 -0.2399 -0.2878 PRESSURE: 4308800 -123.908 60.3086 -196.179 60.3083 121.089 59.0198 -196.18 59.0186 76.3202 GPRESSURE: 4308800 -91.7826 170.409 -206.583 118.094 157.882 134.766 -168.632 -36.707 102.793 PRESSAVG: 4308800 13.4407 -26.6976 26.0946 -26.6976 -24.3426 -1.46452 26.0946 -1.46454 3.63236 GPRESSAVG: 4308800 15.5413 -24.8925 25.2604 -27.2067 -25.8214 -0.177381 24.9497 -1.7351 3.09169 TIMING: 4308800 CPU: 13692.3, 0.00320077/step Wall: 13692.3, 0.00320077/step, 0.614548 hours remaining, 239.964844 MB of memory in use. ENERGY: 4308800 4083.0422 20398.5615 14439.4585 263.8525 -203039.6581 2505.6744 0.0000 0.0000 52072.1536 -109276.9154 299.2594 -161349.0689 -108905.0498 300.0533 24.5004 56.2977 759410.8051 -2.4232 -2.3961 PRESSURE: 4309000 59.3363 -138.406 190.752 -138.406 -222.924 -65.1449 190.752 -65.1444 -35.5777 GPRESSURE: 4309000 140.281 -30.1321 244.417 -71.7842 -251.264 -35.6298 271.909 -122.178 0.181945 PRESSAVG: 4309000 17.97 -35.8412 -22.8032 -35.8412 -28.4092 -22.3511 -22.8034 -22.351 2.6529 GPRESSAVG: 4309000 17.4059 -37.5944 -22.8791 -35.0441 -27.0835 -22.5276 -21.5743 -21.6776 2.49257 TIMING: 4309000 CPU: 13693, 0.00321672/step Wall: 13693, 0.00321672/step, 0.617431 hours remaining, 239.964844 MB of memory in use. ENERGY: 4309000 4082.1765 20624.6909 14533.4624 258.6929 -203117.5415 2530.1471 0.0000 0.0000 51987.5567 -109100.8149 298.7732 -161088.3717 -108745.1071 299.4794 -66.3886 -36.9338 762555.7464 -2.5955 -2.3950 PRESSURE: 4309200 -223.884 -105.504 -61.5959 -105.503 34.7196 -100.58 -61.5961 -100.58 -38.6782 GPRESSURE: 4309200 -145.937 -160.966 -57.274 0.771246 96.5918 -143.498 -204.286 -54.8074 -76.1822 PRESSAVG: 4309200 -16.2047 -67.0966 -18.5273 -67.0966 -34.3338 -35.3631 -18.5273 -35.363 6.56965 GPRESSAVG: 4309200 -15.8921 -66.7647 -17.1259 -66.1741 -34.4814 -36.6259 -20.0664 -35.7293 6.17656 TIMING: 4309200 CPU: 13693.6, 0.00336203/step Wall: 13693.6, 0.00336203/step, 0.645137 hours remaining, 239.964844 MB of memory in use. ENERGY: 4309200 3973.6872 20667.3064 14485.7225 251.0322 -202972.9368 2452.4692 0.0000 0.0000 51960.7032 -109182.0160 298.6189 -161142.7193 -108823.3568 299.5999 -75.9476 -41.8424 762308.2751 -14.6563 -14.7323 PRESSURE: 4309400 99.6753 -24.7469 30.2699 -24.747 -222.164 165.405 30.2701 165.405 -96.9816 GPRESSURE: 4309400 131.724 -84.9937 40.9423 -147.806 -163.268 51.1882 -80.5219 152.187 -102.893 PRESSAVG: 4309400 -4.78813 -70.3892 17.924 -70.3892 -19.4457 -12.3849 17.924 -12.3849 -14.8533 GPRESSAVG: 4309400 -4.69031 -68.7257 16.9726 -71.5781 -20.0528 -12.6056 16.3801 -10.6362 -14.4205 TIMING: 4309400 CPU: 13694.3, 0.00321715/step Wall: 13694.3, 0.00321715/step, 0.617157 hours remaining, 239.964844 MB of memory in use. ENERGY: 4309400 3956.6151 20660.7053 14465.3880 263.2622 -202975.7156 2436.5463 0.0000 0.0000 52125.8213 -109067.3774 299.5678 -161193.1987 -108694.8712 299.9564 -73.1567 -44.8122 763288.7126 -13.0290 -13.0545 PRESSURE: 4309600 222.545 -11.2526 -45.26 -11.2528 -173.295 114.756 -45.2598 114.756 9.8397 GPRESSURE: 4309600 186.304 38.2179 -59.709 -8.43136 -60.1537 120.938 117.868 201.759 22.5695 PRESSAVG: 4309600 7.91676 -20.915 -32.7944 -20.915 36.343 -56.1093 -32.7944 -56.1092 2.19798 GPRESSAVG: 4309600 7.56293 -23.4134 -32.8991 -19.8197 37.434 -56.5698 -30.2489 -57.0442 1.72483 TIMING: 4309600 CPU: 13694.9, 0.00328522/step Wall: 13694.9, 0.00328522/step, 0.630033 hours remaining, 239.964844 MB of memory in use. ENERGY: 4309600 4027.4831 20479.5370 14543.6804 254.1772 -203336.4305 2610.5381 0.0000 0.0000 52131.2695 -109289.7452 299.5991 -161421.0146 -108929.0789 299.8485 19.6965 49.5733 760174.6780 15.4859 15.5739 PRESSURE: 4309800 -116.54 59.76 -97.4279 59.7601 106.843 -165.817 -97.4279 -165.816 189.867 GPRESSURE: 4309800 -24.5441 34.7487 -106.504 -78.7693 65.6024 -210.899 -111.772 -78.7877 217.612 PRESSAVG: 4309800 35.8291 -35.5616 -16.5802 -35.5615 -1.50658 28.0939 -16.5802 28.0939 -15.9874 GPRESSAVG: 4309800 37.0865 -34.6398 -16.3308 -36.1383 -3.5213 29.2147 -16.0711 28.1631 -15.2064 TIMING: 4309800 CPU: 13695.6, 0.00333022/step Wall: 13695.6, 0.00333022/step, 0.638477 hours remaining, 239.964844 MB of memory in use. ENERGY: 4309800 3921.0909 20626.8303 14474.5040 248.4046 -203335.1211 2372.4178 0.0000 0.0000 52239.3539 -109452.5195 300.2203 -161691.8734 -109084.7047 299.7018 60.0564 86.2233 760615.6291 6.1117 6.1196 PRESSURE: 4310000 159.998 -114.438 -46.1508 -114.439 52.5636 23.1213 -46.1503 23.1229 43.9925 GPRESSURE: 4310000 164.057 -135.394 -109.068 -106.622 133.675 85.1424 -103.25 41.2187 36.8361 PRESSAVG: 4310000 -7.4344 -27.9103 -69.1734 -27.9102 71.7582 -39.7262 -69.1734 -39.7262 11.5469 GPRESSAVG: 4310000 -8.67185 -29.8433 -68.8642 -27.9858 71.8316 -39.8161 -68.676 -39.4801 12.7023 TIMING: 4310000 CPU: 13696.2, 0.00319207/step Wall: 13696.2, 0.00319207/step, 0.611813 hours remaining, 239.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4310000 3891.7416 20743.3482 14501.0672 260.5948 -203387.3465 2614.7488 0.0000 0.0000 52019.5329 -109356.3130 298.9570 -161375.8459 -108996.2496 299.7032 85.5181 111.5226 760651.9652 25.2902 25.2874 PRESSURE: 4310200 -177.156 27.6581 -138.83 27.6577 -502.584 -219.182 -138.83 -219.181 -126.005 GPRESSURE: 4310200 -185.201 29.3981 -191.844 -20.3248 -401.313 -152.459 -69.4374 -208.34 -112.203 PRESSAVG: 4310200 -6.96465 -25.2153 -26.3879 -25.2153 48.4111 -42.788 -26.3879 -42.7881 -12.3401 GPRESSAVG: 4310200 -7.38217 -23.0462 -26.3276 -25.8637 50.0658 -39.8567 -27.8042 -44.1505 -13.7768 TIMING: 4310200 CPU: 13696.9, 0.00319552/step Wall: 13696.9, 0.00319552/step, 0.612297 hours remaining, 239.964844 MB of memory in use. ENERGY: 4310200 4057.2845 20603.4464 14434.6594 258.9173 -203576.5335 2687.0247 0.0000 0.0000 52161.1744 -109374.0269 299.7710 -161535.2013 -109009.3121 299.9418 -268.5815 -232.9053 761525.8449 9.7021 9.6356 PRESSURE: 4310400 257.998 -53.3501 -80.0622 -53.3488 -106.675 -177.181 -80.0617 -177.181 -263.04 GPRESSURE: 4310400 274.807 -38.7471 18.1729 76.8525 -97.8324 -119.038 -35.494 -282.131 -229.415 PRESSAVG: 4310400 31.2815 8.26566 18.2272 8.26569 -30.3675 -8.60467 18.2271 -8.60471 -9.59205 GPRESSAVG: 4310400 31.4534 5.84201 18.3311 11.4179 -31.2936 -10.5343 21.1039 -8.58427 -8.59238 TIMING: 4310400 CPU: 13697.5, 0.00317376/step Wall: 13697.5, 0.00317376/step, 0.607951 hours remaining, 239.964844 MB of memory in use. ENERGY: 4310400 3973.0831 20451.1388 14522.3674 266.5182 -203464.8374 2553.6155 0.0000 0.0000 52436.4108 -109261.7035 301.3528 -161698.1143 -108882.2542 300.4125 -37.2391 -17.4800 761427.5025 -2.8927 -2.8108 PRESSURE: 4310600 173.83 -36.0635 119.946 -36.0634 -205.199 192.399 119.946 192.399 -203.012 GPRESSURE: 4310600 163.243 -29.2374 4.13331 52.0965 -201.68 145.589 -44.9577 136.779 -128.381 PRESSAVG: 4310600 3.41581 -10.3944 -24.6047 -10.3945 -42.195 7.54784 -24.6047 7.54785 15.6348 GPRESSAVG: 4310600 3.51002 -8.75054 -24.2089 -12.6444 -42.0002 6.66648 -28.2912 7.50799 14.937 TIMING: 4310600 CPU: 13698.1, 0.00317148/step Wall: 13698.1, 0.00317148/step, 0.607338 hours remaining, 239.964844 MB of memory in use. ENERGY: 4310600 3986.2809 20569.5807 14510.2877 244.9566 -203455.1830 2547.1568 0.0000 0.0000 52333.6714 -109263.2488 300.7623 -161596.9202 -108902.9023 299.8331 -78.1268 -55.6059 761675.0895 -7.7148 -7.8511 PRESSURE: 4310800 78.9978 -98.0268 90.9548 -98.0257 0.326307 -131.937 90.9546 -131.936 413.914 GPRESSURE: 4310800 183.464 -159.696 -31.6383 -128.008 9.894 -134.222 107.097 -38.6107 406.083 PRESSAVG: 4310800 -24.3678 -27.9204 -35.2406 -27.9205 -17.0025 21.9806 -35.2406 21.9806 14.1421 GPRESSAVG: 4310800 -24.8583 -28.3493 -36.836 -27.707 -17.4417 22.9582 -34.4671 23.5167 14.8222 TIMING: 4310800 CPU: 13698.8, 0.00317256/step Wall: 13698.8, 0.00317256/step, 0.607368 hours remaining, 239.964844 MB of memory in use. ENERGY: 4310800 4051.2723 20361.3279 14501.5026 235.9653 -203503.3392 2653.0681 0.0000 0.0000 52212.3907 -109487.8123 300.0653 -161700.2030 -109129.3474 300.3205 164.4128 199.8138 761153.9924 -9.0761 -9.1593 PRESSURE: 4311000 -109.734 -58.8501 -239.931 -58.8496 -279.646 -0.972811 -239.931 -0.972753 -22.7316 GPRESSURE: 4311000 -164.179 -113.077 -153.496 -49.4166 -206.468 31.9186 -328.387 -20.4991 61.4535 PRESSAVG: 4311000 42.7005 0.400408 -26.0686 0.400343 -32.2684 -8.34735 -26.0686 -8.34731 -3.90726 GPRESSAVG: 4311000 43.6881 0.730024 -24.7735 0.998048 -32.7182 -8.12967 -25.3888 -9.80415 -4.09582 TIMING: 4311000 CPU: 13699.4, 0.00319983/step Wall: 13699.4, 0.00319983/step, 0.612412 hours remaining, 239.964844 MB of memory in use. ENERGY: 4311000 4054.1653 20310.8813 14474.9602 240.8744 -203277.2929 2397.7275 0.0000 0.0000 52132.4587 -109666.2255 299.6060 -161798.6842 -109298.6860 299.3283 -137.3704 -103.0647 761095.4832 2.1749 2.2914 PRESSURE: 4311200 179.171 -189.491 86.6879 -189.491 -179.051 -207.951 86.6872 -207.952 296.753 GPRESSURE: 4311200 149.974 -174.396 108.529 -142.947 -130.896 -231.739 101.5 -133.494 360.501 PRESSAVG: 4311200 -4.93681 -29.0327 -26.4939 -29.0326 23.1358 -75.1511 -26.4939 -75.1512 15.5614 GPRESSAVG: 4311200 -5.37863 -28.9664 -26.487 -30.5408 23.1109 -75.8477 -26.9368 -73.8445 15.6208 TIMING: 4311200 CPU: 13700.1, 0.00322433/step Wall: 13700.1, 0.00322433/step, 0.616922 hours remaining, 239.964844 MB of memory in use. ENERGY: 4311200 3965.4055 20636.9735 14538.1248 240.9054 -203398.0304 2444.3194 0.0000 0.0000 51880.4977 -109691.8040 298.1579 -161572.3017 -109339.2668 299.4811 98.9575 126.5262 761041.6360 11.2535 11.1177 PRESSURE: 4311400 -296.182 -135.273 107.829 -135.272 -124.237 19.9147 107.828 19.9148 -184.371 GPRESSURE: 4311400 -359.841 -52.1881 114.434 -65.4807 -11.0809 -54.7066 167.172 -97.0529 -148.19 PRESSAVG: 4311400 -28.6608 -38.5415 47.4445 -38.5415 19.8644 -47.3368 47.4445 -47.3367 7.92128 GPRESSAVG: 4311400 -28.9267 -39.8831 48.2253 -38.795 20.9713 -48.8547 47.1419 -48.2406 7.28917 TIMING: 4311400 CPU: 13700.7, 0.00321309/step Wall: 13700.7, 0.00321309/step, 0.614593 hours remaining, 239.964844 MB of memory in use. ENERGY: 4311400 3901.0934 20569.6623 14553.0922 218.4017 -203271.2134 2398.6948 0.0000 0.0000 51938.5137 -109691.7554 298.4914 -161630.2691 -109336.4194 299.1855 -201.5965 -173.0371 760939.9813 -0.2917 -0.2221 PRESSURE: 4311600 371.959 122.93 196.895 122.932 -218.838 -112.575 196.895 -112.576 -361.823 GPRESSURE: 4311600 339.112 61.0558 153.579 194.935 -251.937 -95.3457 60.8412 14.4509 -208.163 PRESSAVG: 4311600 6.11473 27.8105 -16.5288 27.8105 -4.96962 -17.2607 -16.5288 -17.2607 11.3604 GPRESSAVG: 4311600 6.41531 26.5504 -18.5201 29.4271 -5.2469 -15.8038 -16.9236 -15.7869 11.5909 TIMING: 4311600 CPU: 13701.3, 0.00317096/step Wall: 13701.3, 0.00317096/step, 0.606359 hours remaining, 239.964844 MB of memory in use. ENERGY: 4311600 4022.9126 20386.2834 14407.6964 254.5429 -203705.1865 2903.8250 0.0000 0.0000 51887.2363 -109842.6900 298.1967 -161729.9262 -109475.7277 298.4066 -69.5676 -40.3290 762887.5210 4.1685 4.2531 PRESSURE: 4311800 -150.94 236.173 94.2229 236.173 87.0456 -144.609 94.2238 -144.609 33.5622 GPRESSURE: 4311800 -60.6327 282.593 76.843 265.227 80.8408 -56.188 86.8941 -49.5344 31.2246 PRESSAVG: 4311800 -35.9043 -1.2415 40.2575 -1.24154 25.929 -56.846 40.2575 -56.846 9.46445 GPRESSAVG: 4311800 -35.2655 1.94866 41.796 -2.34404 24.8867 -54.9223 39.7755 -58.2925 9.88881 TIMING: 4311800 CPU: 13702, 0.00317691/step Wall: 13702, 0.00317691/step, 0.607318 hours remaining, 239.964844 MB of memory in use. ENERGY: 4311800 3844.3348 20488.2677 14403.4930 234.5458 -203012.6438 2493.9539 0.0000 0.0000 51747.4190 -109800.6296 297.3931 -161548.0486 -109436.8520 298.0899 -10.1108 17.1442 761656.8557 -0.1703 -0.1633 PRESSURE: 4312000 82.385 -94.8289 -60.3251 -94.8275 -352.719 -36.3412 -60.3251 -36.3423 133.686 GPRESSURE: 4312000 104.8 -52.6274 -72.5666 -90.8856 -247.136 -93.7013 -81.8794 42.637 86.2133 PRESSAVG: 4312000 -21.5508 -29.4367 13.8162 -29.4367 37.1958 19.5541 13.8162 19.554 21.6053 GPRESSAVG: 4312000 -22.5989 -30.2244 14.2444 -29.8215 38.9048 18.6313 12.793 18.2227 20.6775 TIMING: 4312000 CPU: 13702.6, 0.00316474/step Wall: 13702.6, 0.00316474/step, 0.604817 hours remaining, 239.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4312000 3974.5097 20483.7683 14445.5758 250.7364 -203325.7536 2427.2772 0.0000 0.0000 51917.6352 -109826.2509 298.3714 -161743.8861 -109467.6770 297.9375 -45.5492 -18.7074 759939.4698 12.4168 12.3278 PRESSURE: 4312200 307.787 95.5184 92.0119 95.5191 169.47 83.786 92.0116 83.7858 -260.31 GPRESSURE: 4312200 267.514 69.242 18.5612 214.233 294.176 88.2077 -33.5218 142.56 -242.444 PRESSAVG: 4312200 -23.5542 -22.4476 15.6558 -22.4476 39.3945 23.9108 15.6558 23.9108 -11.9451 GPRESSAVG: 4312200 -22.8846 -23.5994 13.3621 -21.4769 37.4075 23.5935 19.4618 25.9991 -11.225 TIMING: 4312200 CPU: 13703.2, 0.0031638/step Wall: 13703.2, 0.0031638/step, 0.604462 hours remaining, 239.964844 MB of memory in use. ENERGY: 4312200 3997.5828 20303.9747 14479.2708 240.0288 -203267.2798 2401.9239 0.0000 0.0000 51937.9347 -109906.5641 298.4880 -161844.4988 -109544.3719 297.9562 72.3155 106.4155 760681.6071 1.2984 1.0993 LDB: ============= START OF LOAD BALANCING ============== 13715.6 LDB: ============== END OF LOAD BALANCING =============== 13715.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13715.6 LDB: ============= START OF LOAD BALANCING ============== 13716 LDB: Largest compute 7075 load 0.038057 is 19.4% of average load 0.196029 LDB: Average compute 0.004418 is 2.3% of average load 0.196029 LDB: TIME 13716 LOAD: AVG 0.196029 MAX 0.22178 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13716 LOAD: AVG 0.196029 MAX 0.22178 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 13716 LOAD: AVG 0.196029 MAX 0.22178 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13716 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13716 PRESSURE: 4312400 128.172 -281.631 121.746 -281.631 -87.1651 42.2637 121.746 42.2635 -358.593 GPRESSURE: 4312400 102.681 -265.897 151.736 -185.426 -52.5562 130.999 38.4753 11.1397 -278.569 PRESSAVG: 4312400 -4.41704 -6.02908 8.33803 -6.02909 14.7273 -35.8759 8.33806 -35.8759 19.6109 GPRESSAVG: 4312400 -5.2762 -6.83261 9.47549 -5.63082 15.8107 -36.154 5.51407 -36.5023 18.8177 TIMING: 4312400 CPU: 13703.9, 0.00325405/step Wall: 13703.9, 0.00325405/step, 0.621523 hours remaining, 240.085938 MB of memory in use. ENERGY: 4312400 3980.4160 20431.8303 14415.4302 245.4064 -203413.8011 2574.2689 0.0000 0.0000 51767.7109 -109998.7384 297.5097 -161766.4493 -109645.7906 298.1810 -105.8621 -76.1479 762329.8919 9.9737 9.7840 PRESSURE: 4312600 80.0348 35.2166 9.68406 35.2165 25.0388 -111.262 9.68416 -111.263 -457.46 GPRESSURE: 4312600 122.538 -94.6504 -23.6842 65.0838 40.5063 -77.7954 180.125 -79.9852 -438.943 PRESSAVG: 4312600 -14.6214 -32.5257 19.4626 -32.5257 44.0389 -57.7846 19.4626 -57.7846 20.7253 GPRESSAVG: 4312600 -15.0973 -31.9673 19.6597 -32.7913 43.561 -58.8866 19.9687 -58.4471 21.5349 TIMING: 4312600 CPU: 13704.6, 0.00332205/step Wall: 13704.6, 0.00332205/step, 0.634327 hours remaining, 240.289062 MB of memory in use. ENERGY: 4312600 3927.5918 20475.3874 14471.4155 244.7400 -203876.7108 2811.1863 0.0000 0.0000 51946.4587 -109999.9311 298.5370 -161946.3898 -109637.0348 297.7793 -117.4623 -91.9664 760900.1445 16.7143 16.6662 PRESSURE: 4312800 -120.494 -160.395 -51.285 -160.395 -182.596 83.1647 -51.2856 83.1652 -195.402 GPRESSURE: 4312800 -134.325 -142.388 -60.6549 -117.545 -73.2425 3.07995 -81.9777 166.613 -194.335 PRESSAVG: 4312800 33.9829 -6.30133 31.1476 -6.3014 1.80299 -32.4384 31.1476 -32.4384 2.99489 GPRESSAVG: 4312800 35.0911 -6.5856 32.3932 -6.73598 1.51664 -33.1844 30.3651 -31.2508 1.89783 TIMING: 4312800 CPU: 13705.2, 0.00318967/step Wall: 13705.2, 0.00318967/step, 0.608872 hours remaining, 240.289062 MB of memory in use. ENERGY: 4312800 4058.6349 20347.9827 14505.9704 249.9556 -203510.8058 2215.1274 0.0000 0.0000 52073.4182 -110059.7165 299.2667 -162133.1347 -109696.9351 298.2189 -166.1642 -133.9676 761082.6710 12.9269 12.8352 PRESSURE: 4313000 -30.696 -44.1823 -122.252 -44.1812 -29.4666 -21.1904 -122.252 -21.19 -209.406 GPRESSURE: 4313000 -41.616 -80.9316 -175.875 -135.245 23.3933 -23.0137 -71.8951 71.6423 -167.409 PRESSAVG: 4313000 -4.56088 -22.5139 -10.9549 -22.5139 7.70228 -48.4171 -10.9549 -48.4171 9.65267 GPRESSAVG: 4313000 -5.14863 -21.8593 -11.7148 -21.7298 6.95767 -47.4255 -10.8159 -48.5523 11.1622 TIMING: 4313000 CPU: 13705.8, 0.00318436/step Wall: 13705.8, 0.00318436/step, 0.607682 hours remaining, 240.289062 MB of memory in use. ENERGY: 4313000 3922.4409 20411.3719 14397.9197 239.8799 -203412.0009 2545.4161 0.0000 0.0000 51857.5285 -110037.4438 298.0259 -161894.9723 -109668.8376 298.2122 -89.8563 -61.8773 761574.7673 4.2647 4.3238 PRESSURE: 4313200 -161.505 -262.408 194.24 -262.408 125.957 56.2331 194.24 56.2321 -5.06967 GPRESSURE: 4313200 -71.9974 -244.64 325.281 -199.143 26.3387 58.3129 183.541 -90.1072 82.9919 PRESSAVG: 4313200 -2.18628 -38.0121 44.912 -38.0122 -11.4692 -44.1847 44.912 -44.1848 4.20225 GPRESSAVG: 4313200 -1.72528 -38.2021 46.2286 -38.5215 -11.9909 -45.2175 44.9716 -44.2262 3.99867 TIMING: 4313200 CPU: 13706.5, 0.00317868/step Wall: 13706.5, 0.00317868/step, 0.606421 hours remaining, 240.289062 MB of memory in use. ENERGY: 4313200 3973.3470 20521.2692 14376.3868 247.7949 -203919.5834 2635.5574 0.0000 0.0000 52131.1019 -110034.1262 299.5982 -162165.2281 -109665.7111 298.0559 -13.5392 12.4444 759717.8220 -3.1511 -3.2392 PRESSURE: 4313400 41.8974 -86.3017 96.899 -86.3018 18.4117 105.955 96.8989 105.955 -51.3113 GPRESSURE: 4313400 127.195 -19.1253 194.081 -239.244 106.253 135.389 123.255 97.6451 -113.432 PRESSAVG: 4313400 -17.0476 -49.4521 40.6605 -49.4522 74.3236 8.11433 40.6605 8.11441 -4.87533 GPRESSAVG: 4313400 -16.6296 -50.2632 38.878 -48.8034 75.3727 10.2126 42.8313 7.06884 -5.64125 TIMING: 4313400 CPU: 13707.1, 0.00316821/step Wall: 13707.1, 0.00316821/step, 0.604248 hours remaining, 240.289062 MB of memory in use. ENERGY: 4313400 3926.5804 20496.2122 14468.4950 254.4871 -203447.5616 2301.2300 0.0000 0.0000 51793.8491 -110206.7077 297.6600 -162000.5568 -109856.9214 297.8656 2.9993 40.0054 759291.7872 17.4669 17.7006 PRESSURE: 4313600 -298.49 8.22735 34.9784 8.22705 -115.143 -188.318 34.9792 -188.318 -68.7687 GPRESSURE: 4313600 -186.498 -9.54106 -2.18251 -65.5422 -125.644 -272.141 125.21 -137.457 -65.2035 PRESSAVG: 4313600 -24.7528 -1.25132 50.2116 -1.25128 7.67361 -8.24453 50.2115 -8.24453 14.7756 GPRESSAVG: 4313600 -25.9484 0.462925 51.6186 -2.77786 8.03453 -9.37672 48.2546 -7.34199 15.7429 TIMING: 4313600 CPU: 13707.7, 0.0031592/step Wall: 13707.7, 0.0031592/step, 0.602355 hours remaining, 240.289062 MB of memory in use. ENERGY: 4313600 4001.4303 20472.8869 14399.7715 258.6855 -203469.9561 2466.0981 0.0000 0.0000 51764.2818 -110106.8020 297.4900 -161871.0837 -109750.2296 298.0153 -160.8006 -125.7821 760944.5856 -0.7679 -0.7236 PRESSURE: 4313800 -15.4319 30.3233 -0.0159595 30.3227 -312.999 -122.691 -0.0157893 -122.689 -384.053 GPRESSURE: 4313800 -26.5123 5.21174 -22.1983 4.77111 -281.672 -129.588 -99.4442 -91.92 -308.14 PRESSAVG: 4313800 18.8871 -74.8353 -0.611674 -74.8353 -40.0367 11.2906 -0.611657 11.2906 -0.397166 GPRESSAVG: 4313800 19.111 -74.4834 -1.75454 -75.4979 -39.7692 10.9983 2.52742 11.085 -0.726848 TIMING: 4313800 CPU: 13708.4, 0.00315807/step Wall: 13708.4, 0.00315807/step, 0.601964 hours remaining, 240.289062 MB of memory in use. ENERGY: 4313800 4054.3534 20512.9165 14409.2835 240.9600 -203286.5481 2525.5618 0.0000 0.0000 51653.3164 -109890.1565 296.8523 -161543.4729 -109546.8175 298.2346 -237.4946 -205.4415 762548.1103 -7.1822 -7.1283 PRESSURE: 4314000 27.1976 -167.945 -158.863 -167.944 -170.554 -77.2355 -158.863 -77.2357 -455.369 GPRESSURE: 4314000 -6.74043 -175.064 -152.356 -255.36 -144.577 23.1314 -249.952 -54.2551 -364.288 PRESSAVG: 4314000 25.01 -52.4145 -21.8834 -52.4144 -37.3028 43.0458 -21.8834 43.0458 -3.79303 GPRESSAVG: 4314000 25.0289 -54.8406 -22.5275 -50.7027 -38.4794 43.4668 -24.5356 42.1965 -2.74924 TIMING: 4314000 CPU: 13709, 0.00319046/step Wall: 13709, 0.00319046/step, 0.60796 hours remaining, 240.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4314000 4082.1940 20401.4374 14415.6237 252.5695 -203406.0167 2570.3598 0.0000 0.0000 51936.9714 -109746.8609 298.4825 -161683.8324 -109376.7564 298.7284 -199.5751 -171.8687 762524.8731 -5.3619 -5.3999 PRESSURE: 4314200 198.31 -2.75585 56.7104 -2.75585 -349.744 48.3311 56.7117 48.3307 -472.622 GPRESSURE: 4314200 136.111 -34.6856 97.6498 11.6682 -289.043 13.8948 60.6382 65.1987 -392.199 PRESSAVG: 4314200 -33.5198 -59.3877 -20.3958 -59.3876 41.5875 -26.1337 -20.3959 -26.1337 -9.01779 GPRESSAVG: 4314200 -34.0686 -58.4532 -20.9229 -59.7451 43.0991 -26.0606 -18.5435 -27.1213 -10.2934 TIMING: 4314200 CPU: 13709.6, 0.00317888/step Wall: 13709.6, 0.00317888/step, 0.605577 hours remaining, 240.289062 MB of memory in use. ENERGY: 4314200 4033.1208 20476.2741 14467.0786 249.1039 -203715.0093 2738.9539 0.0000 0.0000 52032.4784 -109717.9996 299.0314 -161750.4780 -109359.8206 298.5779 -208.0186 -181.7104 760661.7375 -0.3167 -0.4210 PRESSURE: 4314400 -198.387 -36.5741 184.715 -36.5744 -14.6251 248.081 184.715 248.08 -278.718 GPRESSURE: 4314400 -94.6107 -46.1971 189.128 -104.513 -56.7525 259.619 227.262 215.659 -269.874 PRESSAVG: 4314400 19.1259 -78.3751 18.4727 -78.3751 -33.3984 -29.5364 18.4728 -29.5364 21.0715 GPRESSAVG: 4314400 18.8322 -77.4338 20.6627 -78.2744 -34.1627 -28.8735 16.7616 -29.35 22.0121 TIMING: 4314400 CPU: 13710.3, 0.00315524/step Wall: 13710.3, 0.00315524/step, 0.600898 hours remaining, 240.289062 MB of memory in use. ENERGY: 4314400 4059.7065 20477.1687 14397.2929 249.0527 -203883.8763 2960.6092 0.0000 0.0000 51802.0412 -109938.0050 297.7070 -161740.0462 -109583.0213 298.7328 -163.9102 -140.4122 760535.7949 2.2663 2.2272 PRESSURE: 4314600 -270.484 129.085 -74.4646 129.085 -296.143 185.473 -74.4637 185.473 -107.691 GPRESSURE: 4314600 -258.502 81.8331 -151.33 123.314 -227.743 160.497 60.7699 197.84 -94.1552 PRESSAVG: 4314600 19.9919 -82.4904 3.28507 -82.4904 18.1578 -26.9683 3.28517 -26.9684 -18.4598 GPRESSAVG: 4314600 21.3379 -83.4794 2.07669 -82.7638 17.6642 -28.001 4.77054 -26.0416 -18.7612 TIMING: 4314600 CPU: 13710.9, 0.00319575/step Wall: 13710.9, 0.00319575/step, 0.608435 hours remaining, 240.289062 MB of memory in use. ENERGY: 4314600 3975.5024 20644.0057 14413.2349 243.5778 -203521.6976 2440.5006 0.0000 0.0000 51924.4018 -109880.4744 298.4103 -161804.8762 -109525.5336 298.3290 -224.7729 -193.4667 760502.1678 6.5633 6.7470 PRESSURE: 4314800 -53.9795 -102.182 32.0466 -102.181 -101.679 45.7484 32.0459 45.7477 -453.088 GPRESSURE: 4314800 -98.4065 -38.2451 109.264 2.1199 -32.2968 75.7243 -40.0884 55.6135 -409.498 PRESSAVG: 4314800 -21.4819 -43.0633 -13.9563 -43.0633 12.2462 -20.8624 -13.9564 -20.8624 0.744035 GPRESSAVG: 4314800 -22.1566 -41.5379 -13.8309 -42.9096 12.8671 -20.5743 -14.6666 -20.9978 0.630837 TIMING: 4314800 CPU: 13711.5, 0.0031901/step Wall: 13711.5, 0.0031901/step, 0.607182 hours remaining, 240.289062 MB of memory in use. ENERGY: 4314800 3957.0008 20617.3291 14471.6252 236.4573 -203370.8263 2298.8876 0.0000 0.0000 51914.4831 -109875.0433 298.3532 -161789.5263 -109518.4103 298.3474 -202.9156 -180.0670 762175.1374 -2.8305 -2.8862 PRESSURE: 4315000 -0.346666 -74.3997 158.484 -74.4002 -496.413 -188.228 158.485 -188.226 183.856 GPRESSURE: 4315000 93.7653 5.95026 208.755 -91.7371 -391.589 -146.152 80.9973 -43.3252 93.5492 PRESSAVG: 4315000 32.2345 -58.5093 -22.2752 -58.5092 -59.6135 -17.8084 -22.2753 -17.8085 -8.02707 GPRESSAVG: 4315000 30.6994 -61.2637 -21.7476 -56.4323 -59.8732 -18.4358 -23.6195 -16.9589 -5.77299 TIMING: 4315000 CPU: 13712.2, 0.00317755/step Wall: 13712.2, 0.00317755/step, 0.604617 hours remaining, 240.289062 MB of memory in use. ENERGY: 4315000 4009.9099 20552.1860 14483.7156 245.8642 -203276.5239 2407.0826 0.0000 0.0000 51703.2045 -109874.5611 297.1390 -161577.7656 -109523.6577 298.5326 -104.3013 -68.0916 761401.9242 -11.8020 -11.6489 PRESSURE: 4315200 -31.7751 144.626 -111.388 144.625 -37.1879 40.4214 -111.388 40.4219 36.9655 GPRESSURE: 4315200 3.31753 158.375 -32.8636 119.455 -84.9798 43.1766 -166.919 34.7101 146.317 PRESSAVG: 4315200 59.2707 -37.0916 0.287967 -37.0916 -56.8872 -10.3626 0.287964 -10.3626 -8.60522 GPRESSAVG: 4315200 60.184 -35.9698 1.83655 -39.1028 -58.7219 -9.08606 0.622088 -11.5589 -7.85139 TIMING: 4315200 CPU: 13712.8, 0.00316465/step Wall: 13712.8, 0.00316465/step, 0.601987 hours remaining, 240.289062 MB of memory in use. ENERGY: 4315200 3954.4369 20424.0770 14401.4239 245.7790 -203637.3913 2803.0814 0.0000 0.0000 52033.3557 -109775.2374 299.0364 -161808.5931 -109411.9919 298.6239 -10.6658 21.5515 761746.8827 -2.0739 -2.1298 PRESSURE: 4315400 284.712 -51.8471 43.5597 -51.8474 -31.744 61.5212 43.5594 61.5219 -225.091 GPRESSURE: 4315400 300.055 -95.9316 -54.8002 -49.815 -80.7636 -14.0145 154.309 29.2231 -102.877 PRESSAVG: 4315400 34.4696 30.2463 -4.34445 30.2463 -42.5133 -22.4358 -4.34455 -22.4358 26.1517 GPRESSAVG: 4315400 34.2318 30.0876 -4.87448 30.5596 -42.0777 -25.2144 -3.19369 -21.7428 25.3157 TIMING: 4315400 CPU: 13713.4, 0.00317291/step Wall: 13713.4, 0.00317291/step, 0.603382 hours remaining, 240.289062 MB of memory in use. ENERGY: 4315400 3948.8712 20506.2806 14346.3891 254.0107 -203562.6931 2781.0076 0.0000 0.0000 52096.8841 -109629.2498 299.4015 -161726.1338 -109261.6585 298.8225 9.2924 38.8050 761947.4842 6.0360 5.8232 PRESSURE: 4315600 106.475 -32.1955 68.1907 -32.1944 50.1376 -226.937 68.1902 -226.937 210.872 GPRESSURE: 4315600 148.988 -70.5967 66.373 -11.4555 124.44 -239.632 4.82002 -112.752 201.923 PRESSAVG: 4315600 30.3435 -7.11548 36.1934 -7.11549 -10.2509 18.5857 36.1934 18.5857 -14.664 GPRESSAVG: 4315600 31.1052 -5.35512 35.0137 -6.16238 -8.80776 21.7973 34.3251 18.3385 -16.8758 TIMING: 4315600 CPU: 13714.1, 0.00316719/step Wall: 13714.1, 0.00316719/step, 0.602119 hours remaining, 240.289062 MB of memory in use. ENERGY: 4315600 3903.7209 20535.7177 14442.6410 210.2914 -203266.4685 2683.0735 0.0000 0.0000 51721.1909 -109769.8331 297.2424 -161491.0240 -109415.6805 298.6719 122.4948 158.4505 761923.5004 1.8095 1.8072 PRESSURE: 4315800 -1.9326 -7.91475 -179.933 -7.91461 -117.112 108.152 -179.934 108.152 -581.728 GPRESSURE: 4315800 -32.924 -13.2721 -181.493 38.2774 -141.434 -6.06615 -208.255 54.829 -466.608 PRESSAVG: 4315800 -10.0315 -0.790832 22.6193 -0.79084 -5.21874 -40.7746 22.6193 -40.7745 23.5304 GPRESSAVG: 4315800 -10.5164 -1.12538 22.8144 -2.198 -6.14063 -43.9244 22.8497 -40.521 25.0345 TIMING: 4315800 CPU: 13714.7, 0.00316309/step Wall: 13714.7, 0.00316309/step, 0.601162 hours remaining, 240.289062 MB of memory in use. ENERGY: 4315800 3985.0296 20536.6669 14474.6462 233.9894 -203345.4767 2400.4619 0.0000 0.0000 52030.4470 -109684.2356 299.0197 -161714.6826 -109314.2261 298.6330 -233.5909 -213.6557 763036.8220 2.7600 2.7925 PRESSURE: 4316000 -443.034 353.821 39.8273 353.822 214.111 196.373 39.8278 196.372 -228.035 GPRESSURE: 4316000 -386.383 262.944 110.801 286.901 278.908 225.342 41.6714 158.226 -282.675 PRESSAVG: 4316000 2.30965 10.388 -13.5295 10.3881 22.5453 -18.505 -13.5295 -18.505 10.0906 GPRESSAVG: 4316000 1.5956 8.45516 -15.785 13.0126 23.1639 -16.539 -11.9129 -18.4528 10.3925 TIMING: 4316000 CPU: 13715.3, 0.00317388/step Wall: 13715.3, 0.00317388/step, 0.603038 hours remaining, 240.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4316000 4009.5709 20510.3763 14547.4264 233.3622 -203414.4630 2420.5973 0.0000 0.0000 52172.6303 -109520.4996 299.8368 -161693.1299 -109150.7163 298.6909 -152.3194 -130.0501 761318.5989 11.6485 11.7173 PRESSURE: 4316200 416.878 -92.4601 31.6018 -92.4601 -139.831 -235.291 31.6012 -235.291 205.606 GPRESSURE: 4316200 413.528 -154.439 -19.0366 -121.305 -43.7354 -258.488 59.7487 -184.543 186.456 PRESSAVG: 4316200 -82.0002 17.5153 41.9854 17.5153 5.62954 -41.0212 41.9854 -41.0211 18.3532 GPRESSAVG: 4316200 -81.9569 16.4179 43.9108 17.941 6.88225 -40.206 42.3285 -40.7818 17.0444 TIMING: 4316200 CPU: 13716, 0.0031868/step Wall: 13716, 0.0031868/step, 0.605315 hours remaining, 240.289062 MB of memory in use. ENERGY: 4316200 3873.4958 20620.6237 14489.7012 241.7563 -203539.6339 2681.7955 0.0000 0.0000 52088.8035 -109543.4578 299.3551 -161632.2614 -109183.1093 299.0194 160.8842 185.4163 760224.1493 -19.3392 -19.3434 LDB: ============= START OF LOAD BALANCING ============== 13728.4 LDB: ============== END OF LOAD BALANCING =============== 13728.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13728.4 LDB: ============= START OF LOAD BALANCING ============== 13728.7 LDB: Largest compute 7067 load 0.035817 is 18.3% of average load 0.196038 LDB: Average compute 0.004398 is 2.2% of average load 0.196038 LDB: TIME 13728.7 LOAD: AVG 0.196038 MAX 0.227192 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.285 MB LDB: TIME 13728.7 LOAD: AVG 0.196038 MAX 0.227192 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.488 MB LDB: TIME 13728.7 LOAD: AVG 0.196038 MAX 0.227192 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.488 MB LDB: ============== END OF LOAD BALANCING =============== 13728.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13728.7 PRESSURE: 4316400 -326.703 101.952 -26.3201 101.951 51.1626 -223.528 -26.3197 -223.527 -129.477 GPRESSURE: 4316400 -312.59 -15.9622 13.6173 98.5503 -12.5173 -165.35 -123.67 -143.266 -13.1653 PRESSAVG: 4316400 24.6342 22.0939 33.3061 22.094 0.425289 5.67431 33.3062 5.67434 -1.69508 GPRESSAVG: 4316400 24.5899 23.8441 32.5252 18.8943 -1.80536 3.46525 29.8702 5.1573 1.31169 TIMING: 4316400 CPU: 13716.6, 0.00327393/step Wall: 13716.6, 0.00327393/step, 0.621683 hours remaining, 238.597656 MB of memory in use. ENERGY: 4316400 4012.4412 20478.4867 14451.4623 254.9528 -202820.4210 2147.5166 0.0000 0.0000 52194.4631 -109281.0984 299.9623 -161475.5615 -108904.0738 299.3571 -135.0057 -112.7574 762522.8957 7.7881 8.0321 PRESSURE: 4316600 -31.3897 -44.966 196.455 -44.9657 41.8118 -154.388 196.455 -154.388 -97.1486 GPRESSURE: 4316600 47.9984 -42.8539 186.24 77.6031 91.1626 -226.243 211.854 -127.311 -139.357 PRESSAVG: 4316600 -21.306 16.3283 -0.346263 16.3282 49.5357 -21.79 -0.346204 -21.79 12.2593 GPRESSAVG: 4316600 -19.8691 16.2888 -0.647929 18.4106 50.6323 -22.5767 1.36214 -21.4344 8.999 TIMING: 4316600 CPU: 13717.3, 0.00320807/step Wall: 13717.3, 0.00320808/step, 0.609 hours remaining, 238.800781 MB of memory in use. ENERGY: 4316600 3982.8436 20554.1843 14480.5380 233.9768 -203389.5957 2630.2722 0.0000 0.0000 52330.5924 -109177.1883 300.7446 -161507.7807 -108814.1279 299.8283 -28.9088 -0.0652 761168.3837 13.4964 13.2541 PRESSURE: 4316800 -250.874 233.081 -171.299 233.082 -573.039 -15.5126 -171.299 -15.5131 -238.779 GPRESSURE: 4316800 -232.73 190.628 -66.1365 150.424 -457.304 -29.6552 -151.874 -14.8651 -275.629 PRESSAVG: 4316800 -43.007 -52.3486 -3.29034 -52.3486 6.826 -69.5665 -3.29034 -69.5664 18.8242 GPRESSAVG: 4316800 -44.2681 -50.3969 -2.25448 -54.0955 7.18246 -68.5329 -1.82708 -69.2693 19.5469 TIMING: 4316800 CPU: 13717.9, 0.00315031/step Wall: 13717.9, 0.00315031/step, 0.597859 hours remaining, 238.800781 MB of memory in use. ENERGY: 4316800 3986.9048 20559.9791 14454.8750 214.2776 -202824.6648 2406.0310 0.0000 0.0000 51827.4753 -109375.1220 297.8532 -161202.5973 -109016.6062 299.2971 -354.2306 -321.8879 764455.6339 -5.7856 -5.8463 PRESSURE: 4317000 100.389 -61.4961 277.851 -61.4963 -115.573 273.465 277.851 273.465 -126.757 GPRESSURE: 4317000 106.184 -36.8958 263.77 -42.8946 -85.2394 236.539 290.949 314.346 -81.8344 PRESSAVG: 4317000 34.3651 -6.1047 19.9386 -6.10462 -31.9375 30.199 19.9386 30.199 -19.9794 GPRESSAVG: 4317000 32.1694 -7.73316 19.9048 -6.89455 -30.3972 30.013 21.342 29.0734 -19.1293 TIMING: 4317000 CPU: 13718.5, 0.00315636/step Wall: 13718.5, 0.00315636/step, 0.598832 hours remaining, 238.800781 MB of memory in use. ENERGY: 4317000 4007.8098 20485.7112 14397.6930 235.9159 -203209.4733 2629.5999 0.0000 0.0000 52210.8432 -109241.9002 300.0564 -161452.7434 -108879.3436 299.5836 -47.3139 -20.2965 761511.1960 -5.8506 -5.7857 PRESSURE: 4317200 342.186 -214.241 -30.4143 -214.241 213.152 42.2833 -30.4143 42.2853 308.542 GPRESSURE: 4317200 306.509 -165.403 123.319 -44.7422 271.764 69.1773 -140.496 -88.1585 363.219 PRESSAVG: 4317200 3.2876 2.01073 -6.61715 2.01072 -6.23333 26.6142 -6.61713 26.6142 -10.0677 GPRESSAVG: 4317200 4.14915 1.65468 -6.23207 5.20451 -7.69849 26.8505 -8.26366 26.1427 -9.81063 TIMING: 4317200 CPU: 13719.2, 0.00316538/step Wall: 13719.2, 0.00316538/step, 0.600368 hours remaining, 238.800781 MB of memory in use. ENERGY: 4317200 4002.4897 20623.5418 14435.2449 237.4826 -203053.1348 2473.3291 0.0000 0.0000 52221.3599 -109059.6867 300.1169 -161281.0466 -108705.4323 299.8057 287.9600 313.8308 761703.0932 -4.3378 -4.4533 PRESSURE: 4317400 -10.8537 -201.054 -27.4953 -201.056 -72.9666 -40.9671 -27.4963 -40.9683 -165.976 GPRESSURE: 4317400 10.9287 -252.447 -13.5164 -82.8318 -63.6682 -72.9681 63.1144 -134.583 -116.66 PRESSAVG: 4317400 -19.9898 -28.3873 0.563244 -28.3873 14.3648 6.02967 0.563206 6.02974 13.8435 GPRESSAVG: 4317400 -20.4897 -27.0088 1.10761 -30.5717 15.6258 8.16041 -1.01945 6.79804 12.8678 TIMING: 4317400 CPU: 13719.8, 0.00316402/step Wall: 13719.8, 0.00316402/step, 0.599934 hours remaining, 238.800781 MB of memory in use. ENERGY: 4317400 3941.4954 20463.1595 14518.6651 253.9278 -202994.5634 2506.3968 0.0000 0.0000 52091.4083 -109219.5105 299.3700 -161310.9188 -108851.6506 300.0683 -83.2655 -56.4666 761032.8154 2.7395 2.6679 PRESSURE: 4317600 116.421 -115.099 -114.085 -115.098 -73.5527 84.8202 -114.085 84.8209 -175.24 GPRESSURE: 4317600 80.1418 -117.19 -179.232 -100.283 25.2087 51.2256 -36.7562 16.146 -140.626 PRESSAVG: 4317600 2.75008 -9.58809 -37.719 -9.58803 -13.0165 -6.62457 -37.719 -6.62456 1.00137 GPRESSAVG: 4317600 3.88889 -10.211 -38.5968 -9.08782 -13.8207 -7.9654 -34.8946 -6.78548 1.19004 TIMING: 4317600 CPU: 13720.4, 0.00316992/step Wall: 13720.4, 0.00316992/step, 0.600877 hours remaining, 238.800781 MB of memory in use. ENERGY: 4317600 4030.7682 20441.2447 14469.3866 251.0920 -203068.8111 2592.7204 0.0000 0.0000 52114.7658 -109168.8335 299.5043 -161283.5992 -108814.7883 299.5154 -44.1240 -11.7585 762164.1793 -3.0883 -2.9139 PRESSURE: 4317800 -33.4323 -158.877 168.935 -158.876 216.44 38.471 168.935 38.4722 98.1155 GPRESSURE: 4317800 4.26452 -184.269 102.678 -148.088 259 42.8735 169.029 3.44043 103.882 PRESSAVG: 4317800 40.056 -52.3012 1.13716 -52.3011 -43.8192 -9.37299 1.13718 -9.37304 -7.40586 GPRESSAVG: 4317800 39.1044 -53.8256 2.00562 -50.7699 -43.9534 -9.4572 0.379303 -9.83766 -6.42881 TIMING: 4317800 CPU: 13721.1, 0.00317499/step Wall: 13721.1, 0.00317499/step, 0.601661 hours remaining, 238.800781 MB of memory in use. ENERGY: 4317800 3972.7800 20455.7868 14438.5937 261.4951 -203332.2859 2672.5682 0.0000 0.0000 52211.8476 -109319.2144 300.0622 -161531.0620 -108955.5528 299.5451 93.7079 122.3823 762190.5846 -3.7230 -3.7593 PRESSURE: 4318000 -45.6215 -155.476 -40.1275 -155.477 46.4309 -73.7149 -40.1274 -73.7151 71.9964 GPRESSURE: 4318000 77.4062 -55.3725 14.2019 -161.751 57.7119 -46.842 -15.2354 -67.5976 23.6753 PRESSAVG: 4318000 -38.2622 -42.5118 -31.04 -42.5118 44.4613 -6.13084 -31.04 -6.13084 -9.94365 GPRESSAVG: 4318000 -36.9957 -40.8896 -31.6135 -43.8679 44.0275 -5.7019 -31.3741 -5.43482 -10.9542 TIMING: 4318000 CPU: 13721.7, 0.00316139/step Wall: 13721.7, 0.00316139/step, 0.598907 hours remaining, 238.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4318000 3964.9400 20396.5207 14435.7736 240.0983 -203192.3559 2520.0712 0.0000 0.0000 52466.4363 -109168.5158 301.5253 -161634.9521 -108790.9564 299.9941 24.2686 52.9311 763561.6711 -1.2482 -1.3075 PRESSURE: 4318200 -66.4679 -244.409 -30.6074 -244.409 -216.263 149.401 -30.6078 149.402 -23.1827 GPRESSURE: 4318200 -141.083 -199.948 -60.4949 -191.734 -103.595 171.714 -16.2956 152.738 17.2309 PRESSAVG: 4318200 25.2549 -34.4764 -4.34007 -34.4765 -25.2158 41.0772 -4.34009 41.0772 -7.22036 GPRESSAVG: 4318200 24.4144 -35.2484 -5.10563 -32.6403 -24.2001 42.6781 -4.19474 41.1002 -7.11451 TIMING: 4318200 CPU: 13722.3, 0.00314044/step Wall: 13722.3, 0.00314044/step, 0.594765 hours remaining, 238.800781 MB of memory in use. ENERGY: 4318200 3985.0297 20637.5400 14453.7334 248.8682 -203288.6526 2529.9213 0.0000 0.0000 52299.8784 -109133.6816 300.5681 -161433.5600 -108779.1642 299.7716 -101.9712 -75.8159 763102.3508 -2.3937 -2.3000 PRESSURE: 4318400 79.3082 98.742 31.4218 98.7431 66.2089 69.1244 31.4213 69.1251 399.13 GPRESSURE: 4318400 145.842 54.4166 77.5936 -5.44194 46.2155 8.94006 19.404 147.954 462.239 PRESSAVG: 4318400 21.6264 -78.6312 -42.4461 -78.6312 -17.7167 -6.94103 -42.446 -6.94095 7.13017 GPRESSAVG: 4318400 22.5167 -77.4958 -41.3272 -79.7487 -18.1901 -8.16758 -44.7751 -6.79696 7.11774 TIMING: 4318400 CPU: 13723, 0.00316906/step Wall: 13723, 0.00316906/step, 0.600009 hours remaining, 238.800781 MB of memory in use. ENERGY: 4318400 3943.5014 20656.9360 14459.6849 234.5382 -203420.9205 2754.2280 0.0000 0.0000 52119.0239 -109253.0081 299.5287 -161372.0320 -108902.2031 300.0767 181.5491 218.0990 761732.0752 3.6800 3.8148 PRESSURE: 4318600 153.437 -181.911 -194.063 -181.911 389.996 -99.7589 -194.063 -99.7591 14.1532 GPRESSURE: 4318600 183.668 -164.506 -230.484 -69.8771 445.733 -116.145 17.8281 -112.431 -9.62203 PRESSAVG: 4318600 10.5538 -24.5115 -36.5735 -24.5115 6.56379 -28.4186 -36.5735 -28.4187 -11.3943 GPRESSAVG: 4318600 10.0909 -25.8619 -37.8264 -24.8989 7.74142 -28.9368 -34.4359 -30.6108 -11.5564 TIMING: 4318600 CPU: 13723.6, 0.00317913/step Wall: 13723.6, 0.00317913/step, 0.601738 hours remaining, 238.800781 MB of memory in use. ENERGY: 4318600 4014.9383 20467.1379 14477.1549 251.2225 -203518.7861 2825.3880 0.0000 0.0000 52180.5899 -109302.3547 299.8826 -161482.9446 -108930.6714 299.5438 185.8622 206.5929 760319.3525 1.9078 2.0920 PRESSURE: 4318800 111.258 -172.735 40.4117 -172.734 175.805 -290.216 40.4117 -290.216 -55.1214 GPRESSURE: 4318800 209.752 -117.743 84.7617 -233.705 125.373 -152.075 100.295 -242.606 -24.4674 PRESSAVG: 4318800 9.06491 -8.89986 -37.0877 -8.89989 44.628 -10.5705 -37.0878 -10.5704 5.34188 GPRESSAVG: 4318800 9.42613 -8.51817 -35.7136 -9.2281 43.2885 -10.0604 -36.7276 -6.69803 5.99376 TIMING: 4318800 CPU: 13724.2, 0.00315194/step Wall: 13724.2, 0.00315194/step, 0.596416 hours remaining, 238.800781 MB of memory in use. ENERGY: 4318800 4001.5253 20507.2594 14441.3045 240.3439 -203386.0350 2634.9421 0.0000 0.0000 52229.7202 -109330.9397 300.1649 -161560.6599 -108963.7725 299.8402 77.3137 103.5526 760684.2466 19.6783 19.5695 PRESSURE: 4319000 -621.787 36.5365 61.5371 36.537 -364.03 237.343 61.5364 237.343 -602.845 GPRESSURE: 4319000 -557.651 41.0676 132.689 34.8301 -385.427 265.01 73.4677 229.889 -566.652 PRESSAVG: 4319000 -24.4011 -96.9278 39.2211 -96.9278 0.752892 0.946659 39.2211 0.946642 -2.89413 GPRESSAVG: 4319000 -24.349 -97.6844 38.3683 -95.7181 1.16167 0.393082 39.6683 0.111327 -3.40088 TIMING: 4319000 CPU: 13724.9, 0.00317671/step Wall: 13724.9, 0.00317671/step, 0.600928 hours remaining, 238.800781 MB of memory in use. ENERGY: 4319000 4022.3446 20583.0419 14474.2506 246.3001 -202947.9878 2205.6534 0.0000 0.0000 52168.5241 -109247.8731 299.8132 -161416.3972 -108878.0752 299.9789 -529.5539 -503.2433 763177.3918 -8.8475 -8.8627 PRESSURE: 4319200 -121.628 -160.418 45.1162 -160.418 124.88 149.557 45.1161 149.557 -258.495 GPRESSURE: 4319200 -132.625 -168.084 115.409 -126.992 92.1843 165.539 12.1955 137.958 -146.226 PRESSAVG: 4319200 -43.2479 -56.9461 -4.18125 -56.9461 32.9962 -4.68313 -4.18121 -4.6832 -3.94229 GPRESSAVG: 4319200 -42.8561 -54.1401 -3.1964 -58.4848 32.5073 -5.18696 -4.21823 -4.46972 -3.67855 TIMING: 4319200 CPU: 13725.5, 0.00321823/step Wall: 13725.5, 0.00321823/step, 0.608602 hours remaining, 238.800781 MB of memory in use. ENERGY: 4319200 3989.2913 20475.0993 14379.1007 247.8648 -202956.4820 2421.3315 0.0000 0.0000 52358.4511 -109085.3434 300.9047 -161443.7945 -108712.6894 300.5537 -85.0809 -62.2221 761629.5804 -4.7313 -4.6758 PRESSURE: 4319400 -95.099 110.634 296.278 110.633 58.3263 -223.397 296.277 -223.398 434.225 GPRESSURE: 4319400 -47.8959 160.543 201.584 101.255 13.3963 -218.752 139.598 -214.126 503.864 PRESSAVG: 4319400 30.6014 -43.3047 -12.2082 -43.3047 -32.8777 11.8502 -12.2082 11.8501 7.30688 GPRESSAVG: 4319400 29.8168 -42.5806 -15.0745 -43.1235 -32.9285 12.3353 -11.335 10.6758 8.74755 TIMING: 4319400 CPU: 13726.2, 0.00320547/step Wall: 13726.2, 0.00320547/step, 0.606011 hours remaining, 238.800781 MB of memory in use. ENERGY: 4319400 4040.9558 20715.0384 14491.3887 253.4047 -202957.2372 2644.9159 0.0000 0.0000 51985.9058 -108825.6280 298.7637 -160811.5338 -108463.4095 300.6993 132.4841 156.4549 761979.5169 1.6769 1.8786 PRESSURE: 4319600 -113.044 -296.698 -81.1379 -296.699 -25.5013 173.257 -81.1374 173.257 -81.0674 GPRESSURE: 4319600 -99.7246 -268.79 -95.3252 -264.923 39.2106 236.906 -53.1005 165.499 -71.8624 PRESSAVG: 4319600 5.01324 -48.7779 -19.9406 -48.7779 -4.23937 -0.660019 -19.9405 -0.660029 29.261 GPRESSAVG: 4319600 6.5974 -50.7299 -16.7553 -47.0753 -4.94327 0.463897 -21.5379 2.03374 27.8273 TIMING: 4319600 CPU: 13726.8, 0.00318685/step Wall: 13726.8, 0.00318685/step, 0.602315 hours remaining, 238.800781 MB of memory in use. ENERGY: 4319600 3981.5668 20573.7828 14479.3945 263.1760 -202996.5843 2618.6967 0.0000 0.0000 52099.2064 -108980.7611 299.4149 -161079.9675 -108618.7851 300.9053 -73.2042 -44.1255 763186.3078 10.0116 9.8271 PRESSURE: 4319800 -33.6222 84.7233 109.171 84.7237 20.9127 95.768 109.17 95.7679 96.8412 GPRESSURE: 4319800 -22.1928 77.5572 196.076 109.609 39.9611 103.68 6.93392 108.885 137.268 PRESSAVG: 4319800 59.152 -29.8562 16.0177 -29.8561 -13.4195 -10.925 16.0177 -10.9251 11.1093 GPRESSAVG: 4319800 57.1892 -29.0479 15.2899 -30.9568 -11.3854 -10.9147 16.1268 -13.1404 11.0727 TIMING: 4319800 CPU: 13727.4, 0.00316129/step Wall: 13727.4, 0.00316129/step, 0.597309 hours remaining, 238.800781 MB of memory in use. ENERGY: 4319800 3999.0884 20623.5249 14350.7183 247.1448 -203247.6534 2748.8552 0.0000 0.0000 52297.6039 -108980.7179 300.5550 -161278.3217 -108611.0462 300.3337 28.0439 51.6788 762626.8642 18.9473 18.9588 PRESSURE: 4320000 -170.272 6.38084 -213.168 6.38089 46.3159 -98.4308 -213.168 -98.4301 161.244 GPRESSURE: 4320000 -51.4952 27.3226 -182.347 48.0727 12.8894 -13.091 -175.432 -33.1633 150.954 PRESSAVG: 4320000 58.999 -82.5489 17.5028 -82.549 -50.4524 -6.76621 17.5027 -6.76616 9.97157 GPRESSAVG: 4320000 61.0851 -83.8321 17.685 -81.924 -52.5284 -6.85136 17.7954 -8.45234 9.74763 TIMING: 4320000 CPU: 13728.1, 0.00318664/step Wall: 13728.1, 0.00318664/step, 0.601921 hours remaining, 238.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4320000 4079.2163 20543.7483 14411.6083 247.9634 -203156.5825 2599.6263 0.0000 0.0000 52368.4539 -108905.9660 300.9622 -161274.4198 -108541.1456 300.4649 12.4293 37.4494 762031.4545 6.1727 6.1015 PRESSURE: 4320200 -28.9948 120.19 19.8632 120.191 33.877 116.68 19.8638 116.681 -86.8945 GPRESSURE: 4320200 25.5003 38.0023 29.0951 68.5799 38.8029 71.4196 67.7935 60.5415 -58.4608 PRESSAVG: 4320200 0.434853 -21.0408 -37.0839 -21.0407 -1.63863 -76.0538 -37.0839 -76.0539 14.3195 GPRESSAVG: 4320200 -1.85764 -20.434 -38.6366 -21.0941 -0.304772 -74.8959 -37.8113 -73.3765 14.7665 TIMING: 4320200 CPU: 13728.7, 0.00318318/step Wall: 13728.7, 0.00318318/step, 0.601091 hours remaining, 238.800781 MB of memory in use. ENERGY: 4320200 4021.5928 20509.0045 14436.3136 239.3523 -203044.3545 2550.0448 0.0000 0.0000 52048.3320 -109239.7145 299.1225 -161288.0465 -108875.9194 300.2823 -27.3374 1.9474 762464.6771 4.3719 4.2014 LDB: ============= START OF LOAD BALANCING ============== 13741.1 LDB: ============== END OF LOAD BALANCING =============== 13741.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13741.1 LDB: ============= START OF LOAD BALANCING ============== 13741.4 LDB: Largest compute 7067 load 0.036866 is 18.8% of average load 0.196091 LDB: Average compute 0.004390 is 2.2% of average load 0.196091 LDB: TIME 13741.4 LOAD: AVG 0.196091 MAX 0.222272 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.871 MB LDB: TIME 13741.4 LOAD: AVG 0.196091 MAX 0.222272 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.887 MB LDB: TIME 13741.4 LOAD: AVG 0.196091 MAX 0.222272 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.887 MB LDB: ============== END OF LOAD BALANCING =============== 13741.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13741.4 PRESSURE: 4320400 -75.1745 135.354 -246.307 135.353 -186.699 -338.91 -246.306 -338.909 -42.9519 GPRESSURE: 4320400 31.9574 133.803 -168.255 140.343 -143.968 -341.686 -209.424 -222.616 -104.068 PRESSAVG: 4320400 68.5643 7.58443 -13.6942 7.58449 -41.0804 -78.4384 -13.6942 -78.4384 11.544 GPRESSAVG: 4320400 69.2162 8.30132 -12.325 7.55129 -40.5164 -79.0929 -13.9133 -79.2476 10.6371 TIMING: 4320400 CPU: 13729.3, 0.0032187/step Wall: 13729.3, 0.0032187/step, 0.607619 hours remaining, 238.101562 MB of memory in use. ENERGY: 4320400 3983.1801 20500.4814 14401.8557 256.6396 -203435.9203 2697.3643 0.0000 0.0000 52372.3507 -109224.0485 300.9846 -161596.3991 -108862.5424 300.1860 -101.6086 -72.0262 761912.0918 13.0093 13.1123 PRESSURE: 4320600 -189.515 -241.191 78.0277 -241.191 -23.2921 60.828 78.0273 60.8283 109.573 GPRESSURE: 4320600 -106.212 -297.903 -25.109 -244.049 -2.25941 7.64156 129.421 54.2345 85.7018 PRESSAVG: 4320600 -27.6207 -41.9875 -35.02 -41.9874 -9.77932 14.6818 -35.02 14.6819 4.75831 GPRESSAVG: 4320600 -26.7369 -43.3069 -35.7354 -42.6183 -12.0666 15.0953 -34.512 13.6399 6.50471 TIMING: 4320600 CPU: 13730, 0.00317085/step Wall: 13730, 0.00317085/step, 0.59841 hours remaining, 238.101562 MB of memory in use. ENERGY: 4320600 3951.4024 20600.1484 14383.7302 236.9304 -202841.2319 2298.1363 0.0000 0.0000 52152.5602 -109218.3240 299.7215 -161370.8842 -108844.5446 300.2142 -34.4113 -7.5897 763565.2708 -10.8806 -10.7662 PRESSURE: 4320800 202.426 -87.1076 186.489 -87.1082 -132.661 -190.784 186.49 -190.784 -1.17515 GPRESSURE: 4320800 203.157 -121.711 124.929 -145.233 -15.5712 -152.998 13.2873 -218.699 -20.6789 PRESSAVG: 4320800 79.4346 -32.5177 -42.619 -32.5178 -83.0067 -7.71615 -42.619 -7.71614 17.8213 GPRESSAVG: 4320800 79.4107 -33.1125 -41.8049 -33.8619 -82.122 -8.15338 -42.928 -7.73969 16.561 TIMING: 4320800 CPU: 13730.6, 0.00319727/step Wall: 13730.6, 0.00319727/step, 0.603218 hours remaining, 238.101562 MB of memory in use. ENERGY: 4320800 3960.1005 20609.2398 14432.2805 252.9276 -203144.1421 2515.6949 0.0000 0.0000 52073.3276 -109300.5713 299.2661 -161373.8989 -108944.6802 299.5630 22.8635 55.6357 762941.4196 4.7497 4.6166 PRESSURE: 4321000 -98.3219 49.9741 -148.617 49.9747 -437.129 161.778 -148.617 161.778 -255.954 GPRESSURE: 4321000 -51.3294 84.4277 -178.279 10.2812 -390.19 200.599 -180.472 172.12 -264.908 PRESSAVG: 4321000 91.6201 -5.88333 -36.7453 -5.88332 -74.6888 7.13313 -36.7453 7.13311 -2.44904 GPRESSAVG: 4321000 91.0091 -4.53099 -37.1078 -4.79082 -75.0328 6.12544 -38.7578 7.7861 -1.62038 TIMING: 4321000 CPU: 13731.3, 0.00321076/step Wall: 13731.3, 0.00321076/step, 0.605585 hours remaining, 238.101562 MB of memory in use. ENERGY: 4321000 3986.2610 20531.5191 14459.6567 268.5535 -203261.2856 2668.6266 0.0000 0.0000 52073.6122 -109273.0566 299.2678 -161346.6688 -108907.3163 300.3328 -263.8019 -235.4758 763436.9272 4.8274 4.7853 PRESSURE: 4321200 -135.396 -103.298 11.4683 -103.298 -171.371 -34.975 11.4683 -34.9752 -466.265 GPRESSURE: 4321200 -115.781 42.6234 7.1957 -134.694 -74.0305 -28.5038 78.0484 52.6661 -490.308 PRESSAVG: 4321200 24.3658 -48.8213 32.7283 -48.8213 -50.8147 -21.6589 32.7284 -21.659 31.4031 GPRESSAVG: 4321200 23.7775 -49.9722 31.7531 -47.4185 -50.1266 -21.9312 35.5581 -22.2931 31.5802 TIMING: 4321200 CPU: 13731.9, 0.00317028/step Wall: 13731.9, 0.00317029/step, 0.597775 hours remaining, 238.101562 MB of memory in use. ENERGY: 4321200 3944.1557 20643.2860 14461.8016 235.4707 -203370.5601 2492.0862 0.0000 0.0000 52358.1384 -109235.6215 300.9029 -161593.7599 -108866.8176 300.0362 -257.6777 -226.7063 761795.1965 1.6514 1.7437 PRESSURE: 4321400 386.165 -95.533 -201.563 -95.5319 -89.283 116.192 -201.563 116.191 -251.085 GPRESSURE: 4321400 321.966 -49.3862 -128.661 7.82507 14.0757 89.2671 -102.683 64.817 -212.825 PRESSAVG: 4321400 21.9851 -34.6991 -9.0515 -34.6991 -21.6722 -10.8873 -9.05147 -10.8873 10.0265 GPRESSAVG: 4321400 22.2577 -33.0236 -7.47608 -34.0274 -21.7325 -9.08599 -12.381 -10.5815 9.07496 TIMING: 4321400 CPU: 13732.5, 0.00319095/step Wall: 13732.5, 0.00319095/step, 0.601494 hours remaining, 238.101562 MB of memory in use. ENERGY: 4321400 3967.4700 20519.1136 14528.2776 245.0371 -203418.4250 2913.2346 0.0000 0.0000 52122.5269 -109122.7651 299.5489 -161245.2920 -108759.7571 300.0474 15.2656 41.0722 763153.1727 3.4465 3.2000 PRESSURE: 4321600 144.249 -59.9127 13.7463 -59.9117 -410.957 124.477 13.747 124.477 -57.1518 GPRESSURE: 4321600 159.225 -145.737 83.5998 -42.1622 -335.771 112.006 -130.831 142.945 -55.4204 PRESSAVG: 4321600 -3.06534 -26.5931 -24.8931 -26.5931 -11.2644 -56.1958 -24.8932 -56.1958 -7.10219 GPRESSAVG: 4321600 -4.069 -28.5233 -25.2808 -27.5162 -11.098 -56.9902 -23.1355 -56.0495 -6.37995 TIMING: 4321600 CPU: 13733.2, 0.00319961/step Wall: 13733.2, 0.00319961/step, 0.602949 hours remaining, 238.101562 MB of memory in use. ENERGY: 4321600 3979.0273 20612.5958 14425.6558 245.1005 -202919.5856 2335.4341 0.0000 0.0000 52386.5394 -108935.2328 301.0662 -161321.7721 -108565.1783 300.6274 -107.9534 -77.3222 763353.8037 -7.1440 -7.1823 PRESSURE: 4321800 64.3909 55.9328 26.1517 55.9339 -66.4186 -124.642 26.1514 -124.641 -156.212 GPRESSURE: 4321800 110.419 208.265 26.9614 129.881 -57.8646 -93.3297 14.9136 -131.239 -141.483 PRESSAVG: 4321800 87.6927 -30.2341 5.54754 -30.2341 -66.9895 -3.73106 5.54757 -3.73103 -27.5219 GPRESSAVG: 4321800 90.0495 -28.8889 4.82875 -30.6668 -68.5778 -2.96823 4.77749 -3.60467 -28.024 TIMING: 4321800 CPU: 13733.8, 0.00318684/step Wall: 13733.8, 0.00318684/step, 0.600365 hours remaining, 238.101562 MB of memory in use. ENERGY: 4321800 3969.9169 20636.5542 14430.5101 267.6602 -203513.7960 2541.4271 0.0000 0.0000 52446.4701 -109221.2575 301.4106 -161667.7276 -108851.5332 300.7394 -52.7465 -29.6429 761122.4855 -2.2729 -2.1841 PRESSURE: 4322000 -179.403 65.1802 0.495127 65.1797 -62.345 94.4055 0.496634 94.4055 31.7692 GPRESSURE: 4322000 -131.835 61.4688 34.9627 4.08523 -46.2749 112.044 -9.79584 140.285 59.9299 PRESSAVG: 4322000 49.8507 -24.3405 -64.9908 -24.3405 -75.8216 4.74221 -64.9909 4.74227 7.46518 GPRESSAVG: 4322000 48.1757 -23.2002 -63.6932 -26.0681 -74.7653 3.9583 -63.5153 4.59587 7.66393 TIMING: 4322000 CPU: 13734.4, 0.00317272/step Wall: 13734.4, 0.00317272/step, 0.59753 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4322000 3986.8078 20536.3388 14407.4011 239.9070 -203527.2618 2679.3921 0.0000 0.0000 52234.5408 -109442.8741 300.1926 -161677.4149 -109075.9226 299.7871 -69.9928 -39.3933 762864.7528 -6.1686 -6.3086 PRESSURE: 4322200 -5.89019 -29.2806 -21.1996 -29.2804 -271.252 119.522 -21.1995 119.522 258.638 GPRESSURE: 4322200 83.1023 56.7315 19.9381 -41.3052 -305.953 58.7486 -20.9724 175.996 296.255 PRESSAVG: 4322200 68.0904 2.65687 -2.85613 2.65692 -75.928 7.08003 -2.85612 7.07995 3.86654 GPRESSAVG: 4322200 69.1995 1.133 -2.52497 4.42799 -75.264 7.67615 -4.53618 6.30935 1.62332 TIMING: 4322200 CPU: 13735.1, 0.00319061/step Wall: 13735.1, 0.00319061/step, 0.600721 hours remaining, 238.101562 MB of memory in use. ENERGY: 4322200 4021.9569 20522.8810 14487.9967 237.4068 -203447.7030 2654.6418 0.0000 0.0000 52055.9742 -109466.8456 299.1664 -161522.8198 -109109.1222 299.4772 -6.1683 24.4679 761443.0652 -1.3237 -1.4804 PRESSURE: 4322400 -143.285 25.0949 -40.67 25.0951 -25.9369 -105.228 -40.6703 -105.228 132.381 GPRESSURE: 4322400 -155.807 -81.0946 -81.3802 90.0644 23.918 15.2065 69.5147 -59.7747 189.671 PRESSAVG: 4322400 40.4345 -53.3424 -17.5852 -53.3423 -22.3294 -30.398 -17.5852 -30.398 5.69826 GPRESSAVG: 4322400 39.9976 -53.4483 -18.6825 -53.6153 -24.2797 -29.8432 -17.0683 -29.5525 8.01819 TIMING: 4322400 CPU: 13735.7, 0.0031566/step Wall: 13735.7, 0.0031566/step, 0.594142 hours remaining, 238.101562 MB of memory in use. ENERGY: 4322400 3947.1601 20462.0692 14457.4619 232.2757 -203381.8062 2489.4184 0.0000 0.0000 52247.9351 -109545.4859 300.2696 -161793.4210 -109182.8515 299.5403 -12.2802 19.2607 761782.1915 7.9344 7.9120 PRESSURE: 4322600 -142.39 129.58 -2.05305 129.58 -299.345 -14.9196 -2.05312 -14.919 -75.7312 GPRESSURE: 4322600 -198.84 113.827 -41.7756 130.094 -133.249 -56.8808 -2.47697 85.9562 -100.052 PRESSAVG: 4322600 22.1845 35.9538 -33.0494 35.9538 -11.503 -35.2739 -33.0493 -35.2739 -21.7138 GPRESSAVG: 4322600 21.6125 35.9349 -32.6557 35.6399 -9.62091 -34.748 -32.5979 -35.2162 -22.9418 TIMING: 4322600 CPU: 13736.3, 0.00318923/step Wall: 13736.3, 0.00318923/step, 0.600107 hours remaining, 238.101562 MB of memory in use. ENERGY: 4322600 3964.1059 20756.2151 14476.2835 237.8534 -203135.8823 2259.1241 0.0000 0.0000 52200.0194 -109242.2808 299.9942 -161442.3003 -108877.9073 299.8186 -172.4888 -144.0473 761160.2052 -3.6775 -3.6501 PRESSURE: 4322800 60.2648 86.5572 138.604 86.5574 -142.321 132.19 138.603 132.19 128.713 GPRESSURE: 4322800 145.732 61.2523 127.105 138.377 -119.276 94.9853 52.5614 89.1928 92.9292 PRESSAVG: 4322800 -5.01385 17.2852 -43.0436 17.2852 23.487 -19.2912 -43.0436 -19.2912 10.4988 GPRESSAVG: 4322800 -4.36469 17.2189 -42.9257 19.4521 22.2909 -20.8439 -43.2109 -19.1923 11.3465 TIMING: 4322800 CPU: 13737, 0.00319076/step Wall: 13737, 0.00319076/step, 0.600218 hours remaining, 238.101562 MB of memory in use. ENERGY: 4322800 4015.4395 20507.3113 14525.0473 237.2908 -203315.9579 2541.1111 0.0000 0.0000 52246.5959 -109243.1621 300.2619 -161489.7580 -108877.0055 299.7285 15.5525 39.7949 762019.2031 9.6573 9.7576 PRESSURE: 4323000 -78.8979 73.0661 109.065 73.0659 -112.54 32.7191 109.065 32.7197 389.169 GPRESSURE: 4323000 -78.0594 -16.9415 96.1397 131.353 -54.4687 -9.99434 13.1786 -8.74878 415.064 PRESSAVG: 4323000 2.79317 30.8978 15.0722 30.8978 -33.5977 -6.61188 15.0723 -6.61195 -6.83064 GPRESSAVG: 4323000 2.14145 30.2513 14.2051 29.5742 -31.7019 -8.76943 15.8522 -6.75108 -7.60801 TIMING: 4323000 CPU: 13737.6, 0.00318606/step Wall: 13737.6, 0.00318607/step, 0.599157 hours remaining, 238.101562 MB of memory in use. ENERGY: 4323000 4076.6551 20586.1126 14427.6097 244.1437 -203359.4482 2752.7577 0.0000 0.0000 52269.1082 -109003.0613 300.3913 -161272.1694 -108639.3512 300.0868 65.9104 94.1787 760621.1533 -12.5451 -12.3895 PRESSURE: 4323200 -189.156 32.9812 -31.5565 32.9809 72.6729 -216.349 -31.5569 -216.348 96.4289 GPRESSURE: 4323200 -101.035 29.3728 -13.8302 39.8065 96.4884 -270.612 26.3033 -132.486 62.676 PRESSAVG: 4323200 25.8321 -1.30909 -36.2091 -1.30908 2.86153 36.3577 -36.2091 36.3577 -7.73331 GPRESSAVG: 4323200 26.2608 -3.10315 -33.969 0.107744 1.5248 36.4576 -38.4961 35.4948 -6.91076 TIMING: 4323200 CPU: 13738.3, 0.00317282/step Wall: 13738.3, 0.00317282/step, 0.59649 hours remaining, 238.101562 MB of memory in use. ENERGY: 4323200 4008.9287 20735.7468 14378.6505 253.6211 -203482.3611 2893.4190 0.0000 0.0000 52194.3056 -109017.6893 299.9614 -161211.9949 -108664.2019 300.2687 -6.6848 19.3766 760554.4014 6.9868 6.9583 PRESSURE: 4323400 -5.56026 -233.289 55.7669 -233.29 -201.502 369.15 55.767 369.15 -24.3821 GPRESSURE: 4323400 -8.05661 -208.854 67.1922 -118.2 -206.707 391.13 47.5724 410.2 83.21 PRESSAVG: 4323400 11.5874 -62.8562 -18.5404 -62.8562 34.8692 -2.68658 -18.5403 -2.6865 14.7572 GPRESSAVG: 4323400 12.12 -60.3622 -18.5009 -63.7902 34.9823 -0.397244 -17.0477 -2.22737 13.9026 TIMING: 4323400 CPU: 13738.9, 0.00316652/step Wall: 13738.9, 0.00316652/step, 0.59513 hours remaining, 238.101562 MB of memory in use. ENERGY: 4323400 4011.3788 20675.6088 14472.9063 272.5955 -203264.1744 2405.5711 0.0000 0.0000 52270.6587 -109155.4550 300.4002 -161426.1138 -108791.5499 300.6689 -77.1481 -43.8513 760261.7927 20.4046 20.3350 PRESSURE: 4323600 145.758 -35.3144 41.8696 -35.3153 -503.246 24.6532 41.8698 24.6526 -468.602 GPRESSURE: 4323600 108.044 -13.3962 47.115 -77.2071 -389.45 83.6195 75.0786 -38.5523 -443.46 PRESSAVG: 4323600 -49.3432 -23.4049 44.6272 -23.4048 30.1452 51.2879 44.6272 51.288 -6.42891 GPRESSAVG: 4323600 -50.1593 -22.6262 43.9302 -22.7184 31.0831 50.4932 43.941 51.4137 -6.35469 TIMING: 4323600 CPU: 13739.5, 0.00317176/step Wall: 13739.5, 0.00317176/step, 0.595938 hours remaining, 238.101562 MB of memory in use. ENERGY: 4323600 3950.4795 20645.6582 14482.1614 255.3290 -203452.2832 2470.0931 0.0000 0.0000 52214.5187 -109434.0434 300.0776 -161648.5621 -109072.8463 300.0443 -275.3632 -241.6221 762322.9037 -8.5423 -8.4770 PRESSURE: 4323800 161.173 69.9465 149.487 69.9469 73.5322 -74.1912 149.486 -74.1909 -256.158 GPRESSURE: 4323800 183.025 64.6332 145.058 -20.2014 139.632 -52.4051 205.326 -74.147 -247.93 PRESSAVG: 4323800 2.83593 -72.8996 50.3086 -72.8997 16.5611 0.871194 50.3086 0.871196 4.47598 GPRESSAVG: 4323800 2.1565 -74.3107 49.2999 -73.0458 16.2088 0.383401 51.6314 1.34741 5.17208 TIMING: 4323800 CPU: 13740.2, 0.0031775/step Wall: 13740.2, 0.0031775/step, 0.596841 hours remaining, 238.101562 MB of memory in use. ENERGY: 4323800 4084.7914 20643.1096 14443.5044 254.1753 -203769.9302 2738.5122 0.0000 0.0000 52350.9860 -109254.8513 300.8618 -161605.8373 -108886.2373 299.8103 -7.1508 24.9092 759745.0003 7.9577 7.8458 PRESSURE: 4324000 -160.529 -135.502 -72.0563 -135.502 -350.012 -112.484 -72.057 -112.484 217.022 GPRESSURE: 4324000 -170.383 22.9528 4.77415 -100.008 -263.197 -159.774 -46.6305 -1.51214 234.827 PRESSAVG: 4324000 1.47865 -47.8327 60.3933 -47.8328 -28.1418 -33.167 60.3933 -33.167 3.22618 GPRESSAVG: 4324000 2.36049 -47.58 59.9541 -48.1536 -29.5968 -31.4137 60.6164 -33.0325 3.9386 TIMING: 4324000 CPU: 13740.8, 0.00316993/step Wall: 13740.8, 0.00316993/step, 0.595241 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4324000 4051.7817 20716.5795 14448.6076 245.4674 -203414.0964 2414.7239 0.0000 0.0000 52295.8194 -109241.1168 300.5448 -161536.9362 -108892.0020 300.4171 -97.8397 -66.2509 760207.5874 -7.8123 -7.7659 PRESSURE: 4324200 -197.746 -62.8749 -163.364 -62.8739 -98.8661 141.433 -163.363 141.434 7.37015 GPRESSURE: 4324200 -73.5332 9.50918 -135.246 -139.366 -130.915 198.125 -114.355 198.124 -3.91632 PRESSAVG: 4324200 -7.57301 -51.3237 -52.1066 -51.3237 -18.8815 54.4174 -52.1066 54.4174 25.5534 GPRESSAVG: 4324200 -6.86967 -51.5521 -51.4218 -50.1141 -18.5081 54.5861 -49.8739 56.6935 23.579 TIMING: 4324200 CPU: 13741.4, 0.0031625/step Wall: 13741.4, 0.0031625/step, 0.593672 hours remaining, 238.101562 MB of memory in use. ENERGY: 4324200 4039.6985 20628.2276 14444.5657 240.0168 -203356.5480 2372.7400 0.0000 0.0000 52052.1109 -109579.1885 299.1442 -161631.2994 -109222.4656 299.8521 -96.4141 -69.4550 760860.9930 -0.3004 -0.5996 LDB: ============= START OF LOAD BALANCING ============== 13753.8 LDB: ============== END OF LOAD BALANCING =============== 13753.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13753.8 LDB: ============= START OF LOAD BALANCING ============== 13754.1 LDB: Largest compute 7067 load 0.034188 is 17.4% of average load 0.196094 LDB: Average compute 0.004380 is 2.2% of average load 0.196094 LDB: TIME 13754.1 LOAD: AVG 0.196094 MAX 0.2186 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 13754.1 LOAD: AVG 0.196094 MAX 0.2186 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: TIME 13754.1 LOAD: AVG 0.196094 MAX 0.2186 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: ============== END OF LOAD BALANCING =============== 13754.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13754.2 PRESSURE: 4324400 199.226 -99.4778 -51.7861 -99.477 8.17942 42.5672 -51.7865 42.5677 -187.466 GPRESSURE: 4324400 109.825 -189.47 10.9557 -164.206 25.5654 138.03 -34.4544 17.9893 -37.8963 PRESSAVG: 4324400 21.701 -14.1054 -17.5517 -14.1054 -39.4769 50.8376 -17.5517 50.8376 9.34057 GPRESSAVG: 4324400 21.1505 -13.3814 -17.5405 -15.2895 -39.9912 48.7811 -19.3735 48.145 10.2563 TIMING: 4324400 CPU: 13742.1, 0.00322508/step Wall: 13742.1, 0.00322508/step, 0.60524 hours remaining, 239.636719 MB of memory in use. ENERGY: 4324400 4028.1440 20500.0363 14410.5372 242.5438 -203125.7760 2551.9715 0.0000 0.0000 51856.7498 -109535.7934 298.0215 -161392.5433 -109175.9379 299.7080 6.6465 32.4981 761417.0010 -2.8118 -2.8615 PRESSURE: 4324600 -81.8759 -141.498 -143.129 -141.498 33.8279 -60.3467 -143.128 -60.3477 -58.5877 GPRESSURE: 4324600 -28.2005 -183.867 -77.7869 -82.0357 14.6689 -85.1291 -190.173 -4.8573 -9.63716 PRESSAVG: 4324600 -13.8788 -24.5362 15.4728 -24.5362 34.3436 -11.0823 15.4727 -11.0824 -6.80498 GPRESSAVG: 4324600 -14.2358 -23.9327 14.3032 -26.1594 35.4865 -10.6122 15.7401 -8.59501 -7.69708 TIMING: 4324600 CPU: 13742.7, 0.00317922/step Wall: 13742.7, 0.00317922/step, 0.596457 hours remaining, 239.707031 MB of memory in use. ENERGY: 4324600 3981.7783 20567.6272 14452.0357 252.8217 -203129.5736 2634.0953 0.0000 0.0000 51753.4185 -109487.7969 297.4276 -161241.2155 -109121.0900 299.3696 -35.5453 -7.7229 762162.2210 4.5533 4.5179 PRESSURE: 4324800 162.439 -74.4334 -21.1056 -74.4335 114.707 91.2389 -21.1057 91.239 188.376 GPRESSURE: 4324800 125.907 -29.1172 -30.4076 -106.491 188.522 80.6849 -149.31 123.968 249.896 PRESSAVG: 4324800 29.9593 -70.7603 -68.3494 -70.7603 0.140779 9.98924 -68.3495 9.98925 22.0182 GPRESSAVG: 4324800 30.1247 -68.288 -68.3309 -70.5899 -1.22161 10.5444 -67.3882 11.4818 23.389 TIMING: 4324800 CPU: 13743.3, 0.00316114/step Wall: 13743.3, 0.00316114/step, 0.592889 hours remaining, 239.707031 MB of memory in use. ENERGY: 4324800 4024.6541 20586.2633 14362.1397 243.8684 -203519.9055 2633.4266 0.0000 0.0000 52328.7133 -109340.8402 300.7338 -161669.5535 -108983.3705 299.4714 155.1740 188.1084 761371.4368 17.3728 17.4307 PRESSURE: 4325000 -162.721 -86.0839 160.297 -86.0841 -191.111 -80.3748 160.297 -80.3753 -142.924 GPRESSURE: 4325000 -138.502 -253.785 138.522 -124.483 -91.4386 -52.4323 190.303 -143.732 -172.002 PRESSAVG: 4325000 -45.0912 -48.2856 -5.18305 -48.2856 17.337 -55.0699 -5.1831 -55.0698 7.76136 GPRESSAVG: 4325000 -45.8466 -53.0126 -4.1849 -47.042 18.5558 -53.9159 -7.57502 -57.4164 7.57608 TIMING: 4325000 CPU: 13744, 0.00315125/step Wall: 13744, 0.00315125/step, 0.590859 hours remaining, 239.707031 MB of memory in use. ENERGY: 4325000 4018.8222 20636.2208 14373.5154 277.3945 -203212.8557 2376.3326 0.0000 0.0000 52283.6329 -109246.9374 300.4748 -161530.5703 -108886.9818 300.0727 -165.5855 -133.9806 761017.9829 -6.6643 -6.5716 PRESSURE: 4325200 53.7561 106.11 31.5162 106.11 6.88417 -77.5096 31.5164 -77.51 271.175 GPRESSURE: 4325200 66.1347 88.102 37.6169 38.8787 18.0689 -145.393 -116.103 59.4402 309.843 PRESSAVG: 4325200 11.4783 -9.49232 -28.1113 -9.49233 34.5076 2.42366 -28.1112 2.4237 -7.46601 GPRESSAVG: 4325200 12.7083 -7.43995 -28.0873 -9.30025 33.3806 0.13062 -27.3448 3.54228 -7.5761 TIMING: 4325200 CPU: 13744.6, 0.00315498/step Wall: 13744.6, 0.00315498/step, 0.591383 hours remaining, 239.707031 MB of memory in use. ENERGY: 4325200 4075.7450 20535.2628 14384.2371 229.5265 -203515.8950 2740.7095 0.0000 0.0000 52333.5442 -109216.8699 300.7616 -161550.4141 -108849.3151 300.4950 110.6049 131.3489 760749.5376 12.8400 12.8376 PRESSURE: 4325400 115.417 -53.3715 -254.655 -53.3719 14.4461 -275.149 -254.655 -275.148 293.17 GPRESSURE: 4325400 214.188 -18.9222 -214.754 -111.693 33.0761 -230.961 -286.804 -227.309 263.323 PRESSAVG: 4325400 -5.54541 -1.81596 -38.0433 -1.816 10.0957 -29.4937 -38.0433 -29.4936 27.565 GPRESSAVG: 4325400 -6.97812 -0.598338 -37.8121 -3.24584 10.5606 -28.5451 -38.761 -31.0674 28.5647 TIMING: 4325400 CPU: 13745.2, 0.00314395/step Wall: 13745.2, 0.00314395/step, 0.589141 hours remaining, 239.707031 MB of memory in use. ENERGY: 4325400 3986.5055 20622.5910 14468.4726 239.3434 -203089.7924 2379.4849 0.0000 0.0000 52099.7606 -109293.6344 299.4180 -161393.3950 -108923.6802 300.2157 141.0111 170.1956 761951.1942 10.7051 10.7157 PRESSURE: 4325600 386.492 0.828836 137.187 0.828578 -29.0293 218.91 137.187 218.909 34.219 GPRESSURE: 4325600 312.92 -137.905 121.749 48.382 119.197 222.113 73.6666 184.855 45.217 PRESSAVG: 4325600 10.6249 -38.6827 9.54541 -38.6826 44.1894 -5.67671 9.54541 -5.67677 7.03129 GPRESSAVG: 4325600 11.6199 -40.7197 9.00491 -39.1557 44.6883 -5.02775 10.4304 -5.70856 5.5793 TIMING: 4325600 CPU: 13745.9, 0.00314177/step Wall: 13745.9, 0.00314177/step, 0.588559 hours remaining, 239.707031 MB of memory in use. ENERGY: 4325600 4048.6407 20549.0960 14424.6963 240.3973 -203595.7998 2753.1516 0.0000 0.0000 52369.9812 -109209.8367 300.9710 -161579.8179 -108841.3820 299.6252 130.5605 159.1113 759729.3053 20.6152 20.6291 PRESSURE: 4325800 -409.73 174.621 -238.12 174.621 -234.172 231.86 -238.119 231.859 -317.127 GPRESSURE: 4325800 -369.067 84.4834 -302.733 156.267 -174.583 128.04 -139.261 172.949 -334.064 PRESSAVG: 4325800 -30.1163 -12.34 -62.6017 -12.34 4.64659 -2.80914 -62.6017 -2.8092 -20.5214 GPRESSAVG: 4325800 -30.9295 -11.9542 -62.7505 -11.6772 4.16138 -3.52183 -62.9617 -4.46863 -19.2231 TIMING: 4325800 CPU: 13746.5, 0.00320061/step Wall: 13746.5, 0.00320061/step, 0.599403 hours remaining, 239.707031 MB of memory in use. ENERGY: 4325800 4032.6152 20449.5647 14453.3348 234.1460 -203576.6579 2540.4093 0.0000 0.0000 52374.2522 -109492.3357 300.9955 -161866.5879 -109127.5023 299.7813 -320.3433 -292.5712 762275.7799 -15.3304 -15.3304 PRESSURE: 4326000 -154.983 -104.29 -234.342 -104.291 -432.327 151.916 -234.341 151.916 -168.991 GPRESSURE: 4326000 -25.7191 -131.135 -313.087 51.1688 -549.785 271.091 -173.572 152.555 -107.088 PRESSAVG: 4326000 -68.7421 -5.57698 -13.207 -5.57693 37.0893 19.5432 -13.2069 19.5433 -8.07905 GPRESSAVG: 4326000 -67.9697 -7.45727 -12.4216 -3.57908 37.4738 21.1288 -14.2989 19.9079 -9.00033 TIMING: 4326000 CPU: 13747.1, 0.00317629/step Wall: 13747.1, 0.00317629/step, 0.594672 hours remaining, 239.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4326000 4038.2286 20601.7750 14429.2014 242.4014 -203351.1346 2423.3715 0.0000 0.0000 51963.2927 -109652.8640 298.6338 -161616.1567 -109292.5069 299.2168 -252.1001 -227.5307 762909.4596 -13.2440 -13.1654 PRESSURE: 4326200 -0.492225 -10.4988 -26.2064 -10.5 -167.458 42.3542 -26.2059 42.3534 -399.833 GPRESSURE: 4326200 38.9448 103.161 -52.1521 28.4832 -135.56 36.8261 2.41526 2.71735 -368.418 PRESSAVG: 4326200 9.50866 25.8274 -10.936 25.8274 41.0555 30.2483 -10.9359 30.2482 -2.64768 GPRESSAVG: 4326200 10.6431 27.8812 -11.9927 23.5383 39.2589 29.0569 -9.12765 31.8831 -1.49922 TIMING: 4326200 CPU: 13747.8, 0.00319899/step Wall: 13747.8, 0.00319899/step, 0.598744 hours remaining, 239.707031 MB of memory in use. ENERGY: 4326200 4035.6618 20523.0472 14410.0039 253.8645 -203280.2698 2498.2897 0.0000 0.0000 52142.7253 -109416.6773 299.6650 -161559.4026 -109051.8836 299.5425 -189.2612 -155.0112 761295.4827 15.9722 16.1343 PRESSURE: 4326400 -241.254 -74.3131 -54.5695 -74.3131 453.083 241.885 -54.5687 241.887 148.526 GPRESSURE: 4326400 -147.073 -77.5586 -28.3219 -111.929 477.794 191.01 -59.1081 110.919 128.819 PRESSAVG: 4326400 -21.0786 52.842 -60.3113 52.8419 31.3914 32.5418 -60.3113 32.5419 -14.3032 GPRESSAVG: 4326400 -20.5199 52.9366 -61.1932 52.3605 31.8766 32.7635 -60.8547 29.0417 -15.2061 TIMING: 4326400 CPU: 13748.4, 0.00320783/step Wall: 13748.4, 0.00320783/step, 0.600221 hours remaining, 239.707031 MB of memory in use. ENERGY: 4326400 4004.7383 20510.4694 14462.1641 263.1999 -203521.6695 2707.1978 0.0000 0.0000 52301.4968 -109272.4033 300.5774 -161573.9002 -108904.8591 300.1470 120.1181 153.1801 761017.0958 -1.3302 -1.2831 PRESSURE: 4326600 -92.979 -31.6132 -51.9872 -31.6128 132.654 57.1704 -51.9878 57.1698 77.1789 GPRESSURE: 4326600 -92.388 59.2738 -67.5869 143.28 194.795 -2.30322 -53.1475 186.964 84.847 PRESSAVG: 4326600 -92.5191 -24.3046 -56.4021 -24.3046 80.7973 13.9969 -56.4021 13.9969 37.3563 GPRESSAVG: 4326600 -93.6652 -24.1253 -53.7387 -22.4387 80.8093 13.6676 -56.2115 17.1043 38.0287 TIMING: 4326600 CPU: 13749.1, 0.00318953/step Wall: 13749.1, 0.00318953/step, 0.596619 hours remaining, 239.707031 MB of memory in use. ENERGY: 4326600 4039.6487 20550.6905 14388.6872 237.7178 -203613.1270 2759.3639 0.0000 0.0000 52234.7474 -109402.2715 300.1938 -161637.0190 -109041.8676 300.2262 38.9513 62.4181 762263.0865 8.5448 8.3909 PRESSURE: 4326800 449.668 -21.4971 90.3113 -21.4973 -138.288 38.5207 90.3117 38.5223 117.248 GPRESSURE: 4326800 401.336 -91.0186 16.152 -104.846 -85.4097 134.299 112.612 -83.5418 180.957 PRESSAVG: 4326800 -107.295 8.56063 -27.5961 8.56069 73.8098 12.0034 -27.596 12.0035 15.2674 GPRESSAVG: 4326800 -106.634 6.76826 -28.2625 7.78726 74.3511 11.7468 -28.2883 11.48 13.8438 TIMING: 4326800 CPU: 13749.7, 0.00317685/step Wall: 13749.7, 0.00317685/step, 0.594072 hours remaining, 239.707031 MB of memory in use. ENERGY: 4326800 3999.0948 20749.7445 14366.6355 248.5692 -203159.7785 2563.4949 0.0000 0.0000 52034.0906 -109198.1490 299.0406 -161232.2396 -108843.5815 300.2224 142.8760 165.6277 760868.9693 -6.0727 -6.1464 PRESSURE: 4327000 -164.271 150.068 57.6629 150.068 42.3917 16.9922 57.6623 16.9916 -263.812 GPRESSURE: 4327000 -102.375 95.0015 44.3498 111.012 3.49562 51.8223 31.8328 59.6735 -211.31 PRESSAVG: 4327000 -33.2082 34.7513 24.6703 34.7513 40.6785 9.09894 24.6702 9.09892 13.9688 GPRESSAVG: 4327000 -33.5334 35.918 24.8865 34.7208 39.605 8.92826 23.6644 10.2547 15.242 TIMING: 4327000 CPU: 13750.3, 0.00322303/step Wall: 13750.3, 0.00322303/step, 0.602527 hours remaining, 239.707031 MB of memory in use. ENERGY: 4327000 4002.6376 20540.2895 14494.1050 256.1633 -203599.0791 2669.2374 0.0000 0.0000 52217.8863 -109418.7599 300.0969 -161636.6463 -109044.3556 300.0315 -128.5636 -103.3964 761705.3319 7.1464 7.1045 PRESSURE: 4327200 -138.052 -14.4948 -291.396 -14.4952 -339.477 15.7211 -291.397 15.7219 -71.1685 GPRESSURE: 4327200 -150.847 -47.4242 -192.785 -64.1563 -235.518 97.4388 -267.568 44.9718 -75.7249 PRESSAVG: 4327200 -19.87 2.80251 -6.38563 2.80255 31.9172 44.9927 -6.38564 44.9927 -10.6621 GPRESSAVG: 4327200 -20.4715 2.17669 -7.42459 4.12421 32.7663 45.7415 -6.86329 45.3419 -11.0538 TIMING: 4327200 CPU: 13751, 0.00319182/step Wall: 13751, 0.00319182/step, 0.596516 hours remaining, 239.707031 MB of memory in use. ENERGY: 4327200 4000.0402 20659.5175 14441.0514 255.4636 -203448.4806 2686.1204 0.0000 0.0000 51958.9836 -109447.3040 298.6090 -161406.2876 -109093.6957 299.1681 -182.8992 -154.0300 760677.4733 0.4617 0.4136 PRESSURE: 4327400 111.656 129.331 60.9715 129.331 217.259 -93.4454 60.972 -93.4457 119.969 GPRESSURE: 4327400 190.767 148.759 24.5698 72.5807 277.549 -39.15 158.45 -144.345 86.378 PRESSAVG: 4327400 13.5576 2.60016 -8.41206 2.60024 65.1568 -20.1909 -8.41202 -20.1909 11.9257 GPRESSAVG: 4327400 14.9559 2.90085 -6.89652 1.50387 63.9019 -19.7385 -6.1825 -21.22 11.7524 TIMING: 4327400 CPU: 13751.6, 0.00316493/step Wall: 13751.6, 0.00316493/step, 0.591314 hours remaining, 239.707031 MB of memory in use. ENERGY: 4327400 3987.9995 20541.0024 14484.7990 243.5882 -203593.1772 2963.1450 0.0000 0.0000 52119.3194 -109253.3237 299.5304 -161372.6431 -108883.3382 299.6724 149.6278 184.8979 762164.3866 30.2134 30.2034 PRESSURE: 4327600 -116.456 -47.5731 -6.41567 -47.5726 -52.0014 -93.1126 -6.41589 -93.1132 -38.3784 GPRESSURE: 4327600 -148.43 74.6021 27.7985 -15.2315 82.1369 -73.5942 87.3258 -21.9472 -66.5921 PRESSAVG: 4327600 21.1747 -10.0098 -13.4073 -10.0098 -39.2463 -30.4709 -13.4072 -30.471 22.5262 GPRESSAVG: 4327600 19.328 -9.31396 -13.8621 -9.62142 -37.1898 -30.9799 -14.6041 -30.6714 21.5592 TIMING: 4327600 CPU: 13752.2, 0.00316246/step Wall: 13752.2, 0.00316246/step, 0.590677 hours remaining, 239.707031 MB of memory in use. ENERGY: 4327600 4009.0693 20578.4662 14383.7708 237.6718 -203602.4578 2846.5061 0.0000 0.0000 52174.2463 -109372.7274 299.8461 -161546.9737 -109010.4925 299.6356 -68.9451 -44.2952 762952.1084 1.4848 1.2325 PRESSURE: 4327800 -148.647 -70.9554 -43.8129 -70.9548 -96.5709 286.437 -43.813 286.437 100.549 GPRESSURE: 4327800 -67.2612 -38.4639 -56.5877 -32.6494 -107.919 232.572 -32.7501 327.459 113.779 PRESSAVG: 4327800 -1.56475 -27.232 -30.2279 -27.2321 18.7891 -2.14261 -30.2279 -2.1426 49.3755 GPRESSAVG: 4327800 -0.61039 -29.1958 -32.153 -25.9422 17.5544 -0.640236 -29.897 -2.74614 49.6976 TIMING: 4327800 CPU: 13752.9, 0.00317423/step Wall: 13752.9, 0.00317423/step, 0.592698 hours remaining, 239.707031 MB of memory in use. ENERGY: 4327800 3948.3994 20547.7284 14443.4579 242.2300 -203164.2830 2326.3962 0.0000 0.0000 52121.0603 -109535.0108 299.5404 -161656.0711 -109159.3075 299.3109 -48.2227 -20.4670 762368.5973 22.1999 22.2138 PRESSURE: 4328000 204.39 68.8813 181.111 68.8809 -14.8713 310.028 181.112 310.028 -497.855 GPRESSURE: 4328000 210.617 -14.9332 138.702 36.9563 -4.31456 280.684 138.916 50.519 -443.721 PRESSAVG: 4328000 59.9344 -10.6448 -56.402 -10.6448 -19.8117 -48.5716 -56.4021 -48.5717 7.18855 GPRESSAVG: 4328000 60.2069 -8.92884 -55.7801 -12.0115 -19.2203 -50.7696 -56.0984 -47.927 6.5708 TIMING: 4328000 CPU: 13753.5, 0.00316087/step Wall: 13753.5, 0.00316087/step, 0.590028 hours remaining, 239.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4328000 3994.8087 20514.0394 14392.0166 254.9153 -203167.5641 2360.2917 0.0000 0.0000 51958.6149 -109692.8775 298.6069 -161651.4924 -109326.7957 298.7620 -102.7789 -79.1398 760550.7347 15.7704 15.8525 PRESSURE: 4328200 -295.511 -160.707 222.887 -160.708 36.5537 -21.0095 222.887 -21.0096 -285.025 GPRESSURE: 4328200 -234.182 -83.7449 258.61 -112.999 29.1066 -51.49 197.796 19.0928 -258.358 PRESSAVG: 4328200 46.4653 -49.2531 -26.4209 -49.2531 -64.9831 -26.3526 -26.4209 -26.3526 7.18607 GPRESSAVG: 4328200 47.9114 -48.0496 -23.8676 -47.9697 -65.6935 -25.6527 -25.2143 -26.1207 7.07649 TIMING: 4328200 CPU: 13754.1, 0.00313226/step Wall: 13754.1, 0.00313226/step, 0.584515 hours remaining, 239.707031 MB of memory in use. ENERGY: 4328200 3962.3429 20527.4659 14413.6379 244.4277 -203125.2640 2196.9829 0.0000 0.0000 51978.1246 -109802.2820 298.7190 -161780.4066 -109440.8211 298.7515 -181.3273 -154.4775 759771.2125 -3.7772 -3.5685 LDB: ============= START OF LOAD BALANCING ============== 13766.5 LDB: ============== END OF LOAD BALANCING =============== 13766.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13766.5 LDB: ============= START OF LOAD BALANCING ============== 13766.8 LDB: Largest compute 7067 load 0.036021 is 18.4% of average load 0.196048 LDB: Average compute 0.004375 is 2.2% of average load 0.196048 LDB: TIME 13766.9 LOAD: AVG 0.196048 MAX 0.222819 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 13766.9 LOAD: AVG 0.196048 MAX 0.222819 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: TIME 13766.9 LOAD: AVG 0.196048 MAX 0.222819 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13766.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13766.9 PRESSURE: 4328400 -131.542 -131.15 -97.6318 -131.15 102.001 193.737 -97.6317 193.736 -132.572 GPRESSURE: 4328400 -3.77176 -130.968 -111.603 -168.195 -12.8539 171.334 -136.869 -136.098 -82.7135 PRESSAVG: 4328400 -35.3503 -52.9046 -16.8041 -52.9046 -6.10762 -14.2248 -16.804 -14.2248 4.14766 GPRESSAVG: 4328400 -36.8075 -53.8095 -17.7811 -54.1455 -5.02956 -13.5941 -19.6559 -14.6102 4.834 TIMING: 4328400 CPU: 13754.8, 0.00321729/step Wall: 13754.8, 0.00321729/step, 0.600203 hours remaining, 239.183594 MB of memory in use. ENERGY: 4328400 3997.6855 20503.0865 14449.9438 243.4144 -203874.9442 2752.6450 0.0000 0.0000 52186.7458 -109741.4233 299.9179 -161928.1691 -109385.7823 299.1468 -54.0373 -33.1130 760187.4119 -12.4368 -12.3343 PRESSURE: 4328600 84.5481 -3.8159 191.91 -3.8166 63.6851 105.261 191.911 105.261 150.401 GPRESSURE: 4328600 69.7813 112.02 170.475 -73.4731 83.1795 45.0771 159.238 55.4026 223.039 PRESSAVG: 4328600 -0.3703 -0.249992 -20.6436 -0.250002 -49.0976 -45.2651 -20.6437 -45.2651 -4.72828 GPRESSAVG: 4328600 1.00484 0.57486 -18.8599 -0.487554 -49.6278 -44.1138 -21.8087 -45.5437 -5.32327 TIMING: 4328600 CPU: 13755.4, 0.00314064/step Wall: 13755.4, 0.00314064/step, 0.58573 hours remaining, 239.183594 MB of memory in use. ENERGY: 4328600 3956.7316 20569.1934 14520.6793 253.9884 -203437.3245 2289.5518 0.0000 0.0000 52289.9166 -109557.2634 300.5109 -161847.1800 -109198.3893 298.8718 99.5448 125.3333 758243.0148 -18.0654 -17.9821 PRESSURE: 4328800 181.875 -7.84899 -94.1864 -7.84894 61.4549 -62.7508 -94.1871 -62.7514 245.377 GPRESSURE: 4328800 227.096 54.2928 -177.052 -91.2752 59.5664 -92.3201 -193.611 4.69209 314.009 PRESSAVG: 4328800 51.605 -22.3989 -0.8065 -22.399 -40.3934 8.79782 -0.80641 8.79784 32.4022 GPRESSAVG: 4328800 51.8375 -23.6488 -2.21392 -21.3978 -40.5644 6.27572 1.19612 12.386 32.1799 TIMING: 4328800 CPU: 13756, 0.00317081/step Wall: 13756, 0.00317081/step, 0.591181 hours remaining, 239.183594 MB of memory in use. ENERGY: 4328800 3974.8121 20649.2403 14509.4690 257.6408 -203888.6353 2865.0249 0.0000 0.0000 52075.6501 -109556.7980 299.2795 -161632.4482 -109185.9660 299.4499 162.9023 200.2238 760591.5696 14.5379 14.4843 PRESSURE: 4329000 -117.928 -168.401 144.12 -168.4 -319.902 4.04413 144.12 4.045 -34.3768 GPRESSURE: 4329000 -100.895 -117.417 218.948 -174.786 -274.664 -26.6969 120.898 -11.4971 4.47987 PRESSAVG: 4329000 -12.8505 -28.3152 32.3895 -28.3151 26.2634 -39.0421 32.3896 -39.0421 10.6703 GPRESSAVG: 4329000 -14.2912 -26.9481 33.0996 -27.7676 26.5847 -37.9565 33.6846 -41.2381 11.9672 TIMING: 4329000 CPU: 13756.7, 0.00321186/step Wall: 13756.7, 0.00321186/step, 0.598655 hours remaining, 239.183594 MB of memory in use. ENERGY: 4329000 3989.4469 20655.3312 14402.1087 257.1955 -203361.8208 2481.1365 0.0000 0.0000 52043.4326 -109533.1694 299.0943 -161576.6020 -109175.1082 299.7304 -157.4022 -123.6929 762295.5844 8.0277 8.0869 PRESSURE: 4329200 -189.687 -305.018 -142.094 -305.017 -405.515 285.71 -142.094 285.711 68.0103 GPRESSURE: 4329200 -252.421 -297.624 -16.9461 -235.335 -340.872 348.307 -97.6907 80.3677 148.489 PRESSAVG: 4329200 12.1917 -53.3538 -6.15809 -53.3537 -13.5669 -14.3407 -6.15805 -14.3407 1.94825 GPRESSAVG: 4329200 14.6721 -53.259 -6.35351 -54.4338 -15.0702 -14.0207 -5.31005 -16.0164 1.08682 TIMING: 4329200 CPU: 13757.3, 0.0031764/step Wall: 13757.3, 0.0031764/step, 0.591869 hours remaining, 239.183594 MB of memory in use. ENERGY: 4329200 3970.0424 20560.0346 14474.9997 256.4779 -203582.2335 2662.6537 0.0000 0.0000 52101.6852 -109556.3401 299.4291 -161658.0253 -109199.8373 299.3169 -175.7305 -148.2679 761291.6095 0.1910 0.2296 PRESSURE: 4329400 211.444 84.9381 -100.449 84.9373 -122.006 -171.184 -100.449 -171.184 -34.8757 GPRESSURE: 4329400 97.7581 190.522 -169.383 -24.0908 -24.1024 -135.713 -87.7151 -138.57 66.0512 PRESSAVG: 4329400 29.9738 -55.3092 28.2013 -55.3092 -15.8973 24.1179 28.2013 24.1179 -29.5584 GPRESSAVG: 4329400 28.3248 -54.5127 27.9229 -56.0112 -14.9877 24.924 25.1584 24.7438 -28.9706 TIMING: 4329400 CPU: 13757.9, 0.00316487/step Wall: 13757.9, 0.00316487/step, 0.589545 hours remaining, 239.183594 MB of memory in use. ENERGY: 4329400 3926.6189 20578.9991 14448.2066 250.3487 -203528.5870 2570.6991 0.0000 0.0000 52007.3662 -109746.3483 298.8870 -161753.7146 -109377.0071 299.2501 18.1875 46.5690 760394.5420 -5.1606 -5.2112 PRESSURE: 4329600 7.04214 14.4108 26.5219 14.4103 69.5598 -108.736 26.5224 -108.736 -8.98547 GPRESSURE: 4329600 84.2674 -74.7751 -5.61366 -129.187 54.6933 17.5926 -13.4876 -23.1937 21.675 PRESSAVG: 4329600 -11.5185 -94.0664 37.4825 -94.0664 2.79543 -33.1376 37.4824 -33.1376 -14.4627 GPRESSAVG: 4329600 -11.1328 -95.2681 37.1335 -95.5924 2.88299 -33.8234 38.0859 -28.5691 -14.4776 TIMING: 4329600 CPU: 13758.6, 0.0032061/step Wall: 13758.6, 0.0032061/step, 0.597047 hours remaining, 239.183594 MB of memory in use. ENERGY: 4329600 3970.5143 20471.9971 14500.4746 228.2695 -203259.7027 2580.3465 0.0000 0.0000 51959.2583 -109548.8424 298.6106 -161508.1007 -109176.6254 298.5661 22.5388 53.5452 759861.3986 -7.7286 -7.5758 PRESSURE: 4329800 80.9194 37.1099 208.721 37.1098 253.302 78.9312 208.722 78.9301 426.935 GPRESSURE: 4329800 135.175 4.55244 165.429 9.05752 330.07 9.75225 303.288 67.0018 372.655 PRESSAVG: 4329800 -0.012713 -32.8859 69.4361 -32.886 22.8092 -39.081 69.436 -39.081 23.913 GPRESSAVG: 4329800 0.274293 -32.7836 69.821 -31.9067 23.2107 -40.4239 69.2803 -42.8607 23.0524 TIMING: 4329800 CPU: 13759.2, 0.00319874/step Wall: 13759.2, 0.00319875/step, 0.5955 hours remaining, 239.183594 MB of memory in use. ENERGY: 4329800 3921.7552 20434.2757 14369.5381 252.2789 -203736.9408 2925.1399 0.0000 0.0000 52343.2795 -109490.6734 300.8175 -161833.9530 -109133.8312 299.4036 253.7188 279.2999 762621.2015 15.5698 15.5125 PRESSURE: 4330000 -94.9513 -311.271 208.642 -311.271 -160.97 -13.5334 208.642 -13.5335 -347.987 GPRESSURE: 4330000 -140.473 -297.918 213.362 -164.855 -73.678 -16.8396 123.454 105.737 -325.901 PRESSAVG: 4330000 2.24832 -98.2113 -22.1391 -98.2113 -30.4533 -23.6099 -22.139 -23.61 0.224099 GPRESSAVG: 4330000 2.20386 -98.9207 -20.9775 -95.2972 -29.5787 -22.1502 -21.8079 -24.8628 -0.867074 TIMING: 4330000 CPU: 13759.9, 0.00320702/step Wall: 13759.9, 0.00320702/step, 0.596862 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4330000 4007.4829 20568.7150 14475.8015 246.7733 -203002.5789 2269.1300 0.0000 0.0000 51910.5222 -109524.1540 298.3305 -161434.6762 -109172.8063 298.9165 -201.3029 -180.0172 762696.1164 -9.3270 -9.4140 PRESSURE: 4330200 -281.223 -139.669 81.1827 -139.669 -22.9212 -173.076 81.1836 -173.076 -14.2848 GPRESSURE: 4330200 -210.601 -97.8901 40.7292 -32.4664 89.145 -186.819 7.17171 -59.0446 -101.014 PRESSAVG: 4330200 6.93504 -57.545 68.152 -57.545 0.88623 -43.0475 68.152 -43.0474 6.39658 GPRESSAVG: 4330200 5.80854 -55.9492 66.0482 -62.0695 1.06097 -45.5896 68.6616 -39.6135 7.43962 TIMING: 4330200 CPU: 13760.5, 0.00314974/step Wall: 13760.5, 0.00314974/step, 0.586026 hours remaining, 239.183594 MB of memory in use. ENERGY: 4330200 3948.5786 20556.5290 14426.0030 233.3860 -202934.9677 2147.6289 0.0000 0.0000 51994.8078 -109628.0344 298.8149 -161622.8422 -109257.8309 298.5980 -106.1430 -74.1568 761877.0128 4.7393 4.7697 PRESSURE: 4330400 194.067 -0.792463 -301.714 -0.792848 16.7922 -294.669 -301.714 -294.668 -322.709 GPRESSURE: 4330400 236.175 -60.4104 -272.313 33.7886 51.2228 -248.067 -353.966 -230.787 -314.861 PRESSAVG: 4330400 31.3489 -54.6576 18.9558 -54.6576 -24.0428 -20.1666 18.9557 -20.1665 -3.93164 GPRESSAVG: 4330400 32.142 -53.8853 20.8955 -52.1477 -24.7734 -18.9821 18.2574 -21.59 -3.83794 TIMING: 4330400 CPU: 13761.1, 0.00314187/step Wall: 13761.1, 0.00314187/step, 0.584388 hours remaining, 239.183594 MB of memory in use. ENERGY: 4330400 3957.7699 20386.5542 14454.7889 256.7662 -203423.2025 2726.1808 0.0000 0.0000 51948.5459 -109692.5965 298.5490 -161641.1424 -109329.8350 298.4394 -37.2833 -9.1542 761998.8966 1.1248 1.1769 PRESSURE: 4330600 193.485 -13.2475 -191.488 -13.2473 258.479 89.3262 -191.488 89.3266 10.6287 GPRESSURE: 4330600 213.666 -97.3877 -210.08 64.5451 277.079 14.2903 -197.642 234.715 55.3582 PRESSAVG: 4330600 29.2313 -71.392 22.6739 -71.392 -35.9009 -25.9599 22.6738 -25.9599 -17.29 GPRESSAVG: 4330600 28.7534 -70.7304 21.1239 -72.1109 -35.3303 -25.7794 23.8835 -26.4142 -17.0862 TIMING: 4330600 CPU: 13761.8, 0.00318119/step Wall: 13761.8, 0.00318119/step, 0.591524 hours remaining, 239.183594 MB of memory in use. ENERGY: 4330600 4034.2790 20558.9473 14483.0127 256.6871 -203395.7478 2783.9778 0.0000 0.0000 51821.2590 -109457.5849 297.8175 -161278.8439 -109098.6725 299.4456 154.1977 182.0344 761169.1470 -7.9865 -7.8877 PRESSURE: 4330800 93.515 -78.7515 68.4184 -78.7513 -208.356 -62.6526 68.4188 -62.653 85.1078 GPRESSURE: 4330800 120.047 -176.709 -43.2867 14.03 -172.268 -41.6412 17.6886 12.3848 108.579 PRESSAVG: 4330800 9.19061 -50.3596 -65.2044 -50.3595 -35.8204 -67.7327 -65.2043 -67.7328 21.9827 GPRESSAVG: 4330800 9.30546 -53.3908 -64.5138 -50.0845 -36.0975 -67.0826 -67.8915 -67.5417 22.5386 TIMING: 4330800 CPU: 13762.4, 0.00315602/step Wall: 13762.4, 0.00315602/step, 0.586669 hours remaining, 239.183594 MB of memory in use. ENERGY: 4330800 4004.8828 20592.4864 14524.2131 265.1690 -203294.5829 2648.6177 0.0000 0.0000 51686.3081 -109572.9058 297.0419 -161259.2139 -109213.9768 299.0435 -9.9111 18.7858 761792.3300 -1.5490 -1.4178 PRESSURE: 4331000 -219.633 -62.6573 -187.277 -62.6569 -90.0189 -90.9886 -187.278 -90.9881 -10.4712 GPRESSURE: 4331000 -95.0837 -94.3936 -237.253 -73.9751 -144.015 -82.284 -52.6031 -65.1033 5.94076 PRESSAVG: 4331000 25.9342 -35.3476 3.45554 -35.3475 3.05651 -64.5453 3.45556 -64.5453 -3.88351 GPRESSAVG: 4331000 26.7304 -33.1751 3.29437 -34.9914 2.0722 -65.0092 6.24427 -66.1075 -3.33999 TIMING: 4331000 CPU: 13763, 0.00314313/step Wall: 13763, 0.00314313/step, 0.584098 hours remaining, 239.183594 MB of memory in use. ENERGY: 4331000 4082.0345 20476.4002 14495.7272 244.2539 -203448.6200 2395.5016 0.0000 0.0000 52394.9420 -109359.7607 301.1145 -161754.7026 -108986.9235 299.2633 -106.7077 -77.7194 760740.5206 8.3691 8.4875 PRESSURE: 4331200 -65.8684 -299.258 36.4536 -299.258 -249.729 -200.522 36.4539 -200.523 -148.008 GPRESSURE: 4331200 -22.5922 -220.176 -21.022 -232.157 -256.502 -209.329 5.19432 -234.432 -103.868 PRESSAVG: 4331200 83.456 -44.1498 -40.6669 -44.1498 -45.4134 1.46523 -40.6669 1.46537 2.4232 GPRESSAVG: 4331200 83.0879 -43.6555 -40.89 -44.2222 -44.2756 2.24067 -40.6 1.96309 2.19108 TIMING: 4331200 CPU: 13763.7, 0.00319146/step Wall: 13763.7, 0.00319146/step, 0.592902 hours remaining, 239.183594 MB of memory in use. ENERGY: 4331200 3927.9715 20647.7193 14449.2096 231.1663 -203416.7782 2472.8204 0.0000 0.0000 52132.7531 -109555.1380 299.6076 -161687.8911 -109185.5480 299.4189 -154.5351 -127.6542 760806.2266 13.4886 13.6678 PRESSURE: 4331400 -80.1439 -45.5989 2.86085 -45.5993 84.1563 102.089 2.8603 102.088 -21.1007 GPRESSURE: 4331400 -78.9186 -188.376 78.8248 43.2924 87.3 102.385 61.062 206.998 73.063 PRESSAVG: 4331400 8.71335 -65.98 1.0371 -65.9799 21.2205 -35.1758 1.03706 -35.1758 -21.9959 GPRESSAVG: 4331400 8.72047 -67.2796 1.6442 -65.3435 21.0037 -35.4011 -0.798432 -34.5173 -21.4629 TIMING: 4331400 CPU: 13764.3, 0.00317889/step Wall: 13764.3, 0.00317889/step, 0.59039 hours remaining, 239.183594 MB of memory in use. ENERGY: 4331400 4002.2833 20587.7803 14391.2175 228.1802 -203655.1815 2730.0544 0.0000 0.0000 52147.1090 -109568.5567 299.6902 -161715.6658 -109199.4919 299.1340 -5.6961 27.1481 762281.6574 2.6460 2.7538 PRESSURE: 4331600 -280.233 -218.321 -58.5738 -218.32 -195.308 -109.498 -58.5734 -109.499 -443.184 GPRESSURE: 4331600 -76.6894 -201.587 -118.627 -98.2999 -327.898 -100.921 -7.3416 -28.1506 -426.075 PRESSAVG: 4331600 54.1512 -15.1337 -31.0321 -15.1337 -32.8799 -11.1619 -31.0321 -11.1618 28.691 GPRESSAVG: 4331600 54.6712 -14.3018 -32.2431 -16.1445 -32.717 -10.7109 -29.1342 -10.0967 27.5608 TIMING: 4331600 CPU: 13764.9, 0.00316108/step Wall: 13764.9, 0.00316108/step, 0.586907 hours remaining, 239.183594 MB of memory in use. ENERGY: 4331600 4043.7909 20508.3902 14382.8027 236.8231 -203372.5083 2213.5853 0.0000 0.0000 52215.9984 -109771.1178 300.0861 -161987.1162 -109407.2766 299.2020 -306.2416 -276.8877 761395.6829 16.6541 16.5050 PRESSURE: 4331800 1.05274 58.9733 42.3345 58.9733 299.582 -231.807 42.3343 -231.807 55.123 GPRESSURE: 4331800 89.662 -94.9139 60.2832 20.2352 240.663 -237.45 44.8507 -168.465 103.975 PRESSAVG: 4331800 65.5429 5.58082 -38.3285 5.58092 -16.5135 -30.909 -38.3285 -30.909 -4.90201 GPRESSAVG: 4331800 65.6303 6.16067 -39.124 4.522 -16.6221 -31.9936 -39.8461 -31.0221 -4.98531 TIMING: 4331800 CPU: 13765.6, 0.00318819/step Wall: 13765.6, 0.00318819/step, 0.591763 hours remaining, 239.183594 MB of memory in use. ENERGY: 4331800 3977.7044 20574.5420 14378.0925 225.4379 -203753.4503 2618.5454 0.0000 0.0000 52263.4018 -109715.7262 300.3585 -161979.1280 -109348.0677 299.3601 118.5859 144.7668 760792.4479 14.7091 14.6743 PRESSURE: 4332000 158.403 135.67 -48.5412 135.671 293.312 -68.8171 -48.5413 -68.8168 -41.6429 GPRESSURE: 4332000 225.723 99.5364 -88.8317 211.453 286.118 -39.9281 -57.5618 -94.9491 -23.1951 PRESSAVG: 4332000 -33.8956 -18.8682 -2.2246 -18.8682 30.6798 10.0212 -2.2246 10.0212 -9.71915 GPRESSAVG: 4332000 -34.0143 -19.8196 -1.08942 -15.855 29.8721 11.0102 -1.56935 7.95457 -8.94319 TIMING: 4332000 CPU: 13766.2, 0.0031982/step Wall: 13766.2, 0.0031982/step, 0.593443 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4332000 3961.4415 20545.4081 14520.0182 240.3289 -203422.5037 2542.3634 0.0000 0.0000 51991.4306 -109621.5130 298.7955 -161612.9436 -109270.8798 299.2298 136.6906 162.8822 761459.7983 -4.3116 -4.3618 PRESSURE: 4332200 33.6781 -231.207 256.167 -231.206 36.4015 -34.6637 256.167 -34.6639 -151.475 GPRESSURE: 4332200 109.674 -179.255 222.466 -159.777 -17.3598 -89.7569 117.305 109.753 -93.3468 PRESSAVG: 4332200 4.28339 -9.61572 40.2987 -9.61569 20.0448 -7.2392 40.2987 -7.23918 23.2356 GPRESSAVG: 4332200 4.24994 -10.8664 39.4023 -10.7601 21.0436 -7.70824 39.9605 -6.33228 22.1308 TIMING: 4332200 CPU: 13766.8, 0.00319513/step Wall: 13766.8, 0.00319513/step, 0.592697 hours remaining, 239.183594 MB of memory in use. ENERGY: 4332200 4026.2301 20586.2921 14492.7507 240.6230 -203239.1120 2473.4276 0.0000 0.0000 52028.3861 -109391.4024 299.0079 -161419.7885 -109045.4789 299.2844 -27.1319 -0.3443 761078.1102 15.8546 15.8081 LDB: ============= START OF LOAD BALANCING ============== 13779.3 LDB: ============== END OF LOAD BALANCING =============== 13779.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13779.3 LDB: ============= START OF LOAD BALANCING ============== 13779.6 LDB: Largest compute 7067 load 0.034845 is 17.8% of average load 0.196147 LDB: Average compute 0.004380 is 2.2% of average load 0.196147 LDB: TIME 13779.6 LOAD: AVG 0.196147 MAX 0.215913 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13779.6 LOAD: AVG 0.196147 MAX 0.215913 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 13779.6 LOAD: AVG 0.196147 MAX 0.215913 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 13779.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13779.6 PRESSURE: 4332400 115.63 -107.727 67.123 -107.727 -104.492 -138.834 67.1236 -138.834 -282.608 GPRESSURE: 4332400 151.246 -16.2126 18.8896 22.1202 -72.636 -142.448 61.8049 -106.723 -270.703 PRESSAVG: 4332400 -9.42773 -15.2879 -38.521 -15.2879 19.5357 -0.950507 -38.521 -0.950495 -7.04673 GPRESSAVG: 4332400 -11.4622 -13.8159 -36.8136 -15.562 19.6645 0.848115 -37.4432 -1.65771 -5.18729 TIMING: 4332400 CPU: 13767.5, 0.0032658/step Wall: 13767.5, 0.0032658/step, 0.605625 hours remaining, 238.410156 MB of memory in use. ENERGY: 4332400 3964.9278 20546.4662 14459.1311 245.6549 -202689.8097 2191.5175 0.0000 0.0000 51948.8653 -109333.2469 298.5508 -161282.1122 -108982.1771 299.5190 -90.4901 -64.0313 762630.5961 1.0204 1.0050 PRESSURE: 4332600 63.9087 146.903 -109.39 146.904 125.718 -87.4057 -109.389 -87.4062 236.304 GPRESSURE: 4332600 69.0148 115.241 -143.873 25.857 152.22 -67.738 -91.9095 -167.574 285.782 PRESSAVG: 4332600 26.4747 9.22852 6.0766 9.22853 -28.6532 -52.2592 6.07666 -52.2593 1.25727 GPRESSAVG: 4332600 27.502 8.65887 4.05535 8.42883 -27.9915 -53.4591 3.70828 -51.1405 -0.239115 TIMING: 4332600 CPU: 13768.1, 0.00318003/step Wall: 13768.1, 0.00318003/step, 0.589542 hours remaining, 238.480469 MB of memory in use. ENERGY: 4332600 3867.7611 20518.6497 14469.3850 249.0366 -203425.6867 2754.1465 0.0000 0.0000 52078.9028 -109487.8050 299.2982 -161566.7079 -109123.3488 299.6511 141.9769 169.0053 761501.3369 -0.3071 -0.2429 PRESSURE: 4332800 25.9119 20.9713 106.041 20.9714 -357.194 253.785 106.041 253.784 12.6593 GPRESSURE: 4332800 46.4513 -38.4585 164.211 -52.4495 -273.465 201.206 135.567 197.866 -3.78112 PRESSAVG: 4332800 47.0204 -26.6358 35.8499 -26.6358 -24.6988 26.7118 35.8498 26.7118 -1.06156 GPRESSAVG: 4332800 48.0657 -26.6296 38.1237 -25.2102 -24.7867 25.7704 38.5798 27.2498 -1.53329 TIMING: 4332800 CPU: 13768.8, 0.00318447/step Wall: 13768.8, 0.00318446/step, 0.590187 hours remaining, 238.480469 MB of memory in use. ENERGY: 4332800 3861.6899 20426.0782 14403.7579 252.6564 -203239.9728 2755.4211 0.0000 0.0000 51957.2424 -109583.1269 298.5990 -161540.3692 -109227.3607 299.0381 -106.2075 -76.9317 762770.9705 7.0867 7.2486 PRESSURE: 4333000 -30.2767 -106.29 -192.507 -106.29 109.747 -165.208 -192.508 -165.208 344.699 GPRESSURE: 4333000 -2.0224 -183.11 -236.873 -199.972 207.759 -139.832 -184.598 -65.5711 309.233 PRESSAVG: 4333000 -6.59634 -52.6532 10.6483 -52.6531 16.3133 -25.181 10.6484 -25.181 8.19888 GPRESSAVG: 4333000 -7.62134 -52.4574 9.41022 -54.3545 16.6985 -24.6435 8.6129 -26.0817 8.88457 TIMING: 4333000 CPU: 13769.4, 0.00320202/step Wall: 13769.4, 0.00320202/step, 0.593263 hours remaining, 238.480469 MB of memory in use. ENERGY: 4333000 3977.1111 20377.9913 14397.4314 250.9613 -203323.3526 2795.3898 0.0000 0.0000 51978.8963 -109545.5714 298.7234 -161524.4677 -109186.7535 299.0336 141.3897 171.6565 761608.1572 5.9719 5.9872 PRESSURE: 4333200 -39.9612 -27.2944 188.168 -27.2943 -231.852 -96.7393 188.169 -96.7388 368.725 GPRESSURE: 4333200 -75.7904 -61.8045 151.979 89.3586 -53.5607 -67.2871 43.6405 -164.23 309.571 PRESSAVG: 4333200 13.8158 -24.5155 -8.44793 -24.5155 24.917 -18.618 -8.44788 -18.618 7.73954 GPRESSAVG: 4333200 13.4797 -25.443 -9.13594 -21.4463 24.7949 -19.5278 -8.28089 -18.5754 7.87666 TIMING: 4333200 CPU: 13770.1, 0.00320792/step Wall: 13770.1, 0.00320792/step, 0.594179 hours remaining, 238.480469 MB of memory in use. ENERGY: 4333200 3954.0980 20400.7467 14395.2020 257.4248 -203618.9922 2433.5359 0.0000 0.0000 52497.1222 -109680.8627 301.7017 -162177.9848 -109320.7523 299.2146 32.3042 60.0733 759861.0337 15.4908 15.3838 PRESSURE: 4333400 -331.964 -10.1808 16.5872 -10.1811 -287.842 171.746 16.5871 171.746 293.505 GPRESSURE: 4333400 -261.183 -136.198 48.0552 -26.0239 -238.019 124.024 32.7157 159.413 252.734 PRESSAVG: 4333400 44.0226 -77.47 -8.51868 -77.47 -28.2644 -22.7748 -8.51868 -22.7748 8.05303 GPRESSAVG: 4333400 45.3067 -76.3401 -8.83917 -79.5061 -28.1608 -23.5079 -6.68632 -21.5591 6.87264 TIMING: 4333400 CPU: 13770.7, 0.00318145/step Wall: 13770.7, 0.00318145/step, 0.589099 hours remaining, 238.480469 MB of memory in use. ENERGY: 4333400 3912.2841 20499.6215 14532.3952 248.5917 -203333.1210 2436.3069 0.0000 0.0000 52102.1523 -109601.7693 299.4318 -161703.9216 -109243.5866 299.4919 -108.7672 -82.1562 761059.8875 7.9371 8.0062 PRESSURE: 4333600 319.3 154.447 -21.214 154.447 -81.1101 -293.706 -21.2134 -293.706 102.963 GPRESSURE: 4333600 321.339 136.308 2.54069 161.662 -32.2288 -227.119 -98.9749 -189.378 137.746 PRESSAVG: 4333600 -29.201 -39.195 -4.2472 -39.195 5.18713 26.3688 -4.24719 26.3688 -16.5063 GPRESSAVG: 4333600 -29.8256 -38.5064 -3.92684 -39.6616 5.54609 27.9353 -7.24527 23.014 -16.342 TIMING: 4333600 CPU: 13771.3, 0.00319551/step Wall: 13771.3, 0.00319551/step, 0.591524 hours remaining, 238.480469 MB of memory in use. ENERGY: 4333600 4010.8536 20413.9040 14533.4432 266.8158 -203708.9116 2738.1327 0.0000 0.0000 51975.8064 -109769.9558 298.7057 -161745.7622 -109407.6369 298.9097 113.7177 142.2856 759890.7285 -13.5067 -13.5405 PRESSURE: 4333800 -125.454 -238.843 6.01074 -238.842 -106.053 -65.6528 6.01095 -65.6528 -387.998 GPRESSURE: 4333800 -33.9863 -117.347 14.748 -124.749 -79.64 -115.884 68.7147 -37.6897 -425.28 PRESSAVG: 4333800 65.6424 -12.9847 6.66436 -12.9847 -67.086 -36.7694 6.66437 -36.7694 -1.21526 GPRESSAVG: 4333800 63.6636 -13.2485 7.27696 -11.0209 -65.4368 -38.3774 9.35787 -34.1219 -0.654338 TIMING: 4333800 CPU: 13772, 0.00317543/step Wall: 13772, 0.00317543/step, 0.587631 hours remaining, 238.480469 MB of memory in use. ENERGY: 4333800 4001.7412 20397.1055 14527.4751 251.4426 -203351.6167 2596.3693 0.0000 0.0000 51961.9557 -109615.5274 298.6261 -161577.4831 -109260.7170 298.5921 -206.5018 -179.6354 761120.7128 -0.8863 -0.8092 PRESSURE: 4334000 247.345 -143.639 126.601 -143.639 -74.3882 305.607 126.601 305.607 -135.143 GPRESSURE: 4334000 368.361 -163.505 67.1594 -117.153 -134.713 295.54 38.8585 365.561 -120.526 PRESSAVG: 4334000 19.7141 -34.0877 31.1771 -34.0876 3.94378 12.0622 31.1771 12.0622 0.364119 GPRESSAVG: 4334000 22.1985 -31.7338 31.5406 -36.6336 1.90205 13.1948 29.8535 10.9237 0.027024 TIMING: 4334000 CPU: 13772.6, 0.00318964/step Wall: 13772.6, 0.00318964/step, 0.590082 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4334000 4043.4148 20498.5907 14381.4371 241.6921 -203624.8100 2734.6480 0.0000 0.0000 51926.3303 -109798.6970 298.4213 -161725.0273 -109439.2562 299.0650 12.6046 37.7074 760504.2665 8.0073 8.0425 PRESSURE: 4334200 245.44 -36.1811 -95.2299 -36.1809 467.709 138.052 -95.2301 138.053 107.649 GPRESSURE: 4334200 358.944 19.9993 -244.251 -96.265 455.293 87.0687 -53.4806 71.5933 94.2522 PRESSAVG: 4334200 39.1182 14.0392 -4.57542 14.0391 -7.6664 25.7919 -4.57541 25.7919 10.2133 GPRESSAVG: 4334200 38.3926 9.02485 -4.84725 15.8328 -7.04657 25.3675 -4.85398 27.2485 10.3118 TIMING: 4334200 CPU: 13773.2, 0.00317637/step Wall: 13773.2, 0.00317637/step, 0.587452 hours remaining, 238.480469 MB of memory in use. ENERGY: 4334200 3943.8870 20619.7629 14487.1182 258.2520 -203789.0540 2629.1599 0.0000 0.0000 51947.6135 -109903.2605 298.5436 -161850.8741 -109538.0200 298.7643 273.5993 302.8296 759260.3211 13.8884 13.8860 PRESSURE: 4334400 27.3818 79.3857 -68.3004 79.3857 125.908 83.6226 -68.3004 83.6246 1.70554 GPRESSURE: 4334400 -10.0494 -5.35947 41.9401 104.39 230.518 175.024 -159.55 198.012 6.31393 PRESSAVG: 4334400 -25.9929 -25.3923 19.2303 -25.3923 20.1266 -5.93928 19.2303 -5.93918 7.47172 GPRESSAVG: 4334400 -27.2832 -22.4874 18.922 -26.4774 20.328 -4.63617 21.9972 -7.83519 8.06336 TIMING: 4334400 CPU: 13773.9, 0.00316999/step Wall: 13773.9, 0.00316999/step, 0.586096 hours remaining, 238.480469 MB of memory in use. ENERGY: 4334400 3904.7057 20519.7939 14410.6185 253.2718 -203427.3597 2504.4703 0.0000 0.0000 52002.2994 -109832.2001 298.8579 -161834.4995 -109471.3979 298.5064 51.6652 75.5941 761834.9448 0.5352 0.3694 PRESSURE: 4334600 115.413 -203.564 121.322 -203.564 26.6529 154.048 121.322 154.048 71.2776 GPRESSURE: 4334600 148.825 -216.264 161.43 -133.364 89.1027 80.7045 161.192 174.969 67.3024 PRESSAVG: 4334600 10.4875 -27.664 86.4696 -27.664 14.9451 51.4677 86.4697 51.4677 -1.73718 GPRESSAVG: 4334600 10.3034 -29.8118 86.3793 -27.4549 15.3062 48.8932 83.4255 53.7473 -1.9077 TIMING: 4334600 CPU: 13774.5, 0.00317362/step Wall: 13774.5, 0.00317362/step, 0.58659 hours remaining, 238.480469 MB of memory in use. ENERGY: 4334600 3892.3214 20547.5961 14409.0820 254.9981 -203392.3216 2602.8580 0.0000 0.0000 51809.0423 -109876.4237 297.7473 -161685.4660 -109510.7589 298.1640 71.1145 101.7433 762467.9631 7.8985 7.9006 PRESSURE: 4334800 18.2556 -159.221 143.919 -159.222 -164.662 184.914 143.921 184.915 -319.556 GPRESSURE: 4334800 32.2381 -85.6284 202.617 -171.217 -173.673 171.302 203.789 124.779 -250.192 PRESSAVG: 4334800 16.9162 -50.7055 -3.26669 -50.7055 -2.4316 67.1456 -3.2667 67.1456 18.1745 GPRESSAVG: 4334800 18.2165 -49.314 -2.29418 -50.2444 -3.32235 68.9006 -1.66767 65.5168 17.8018 TIMING: 4334800 CPU: 13775.1, 0.00318716/step Wall: 13775.1, 0.00318716/step, 0.588916 hours remaining, 238.480469 MB of memory in use. ENERGY: 4334800 4063.0050 20545.7531 14393.7281 246.5574 -203758.4876 2808.4623 0.0000 0.0000 51939.9829 -109760.9989 298.4998 -161700.9818 -109416.5925 298.1277 -155.3206 -130.5423 761634.8271 10.8863 10.8987 PRESSURE: 4335000 128.121 -71.0717 -41.2061 -71.0714 104.627 39.5811 -41.2076 39.58 80.5241 GPRESSURE: 4335000 175.28 -71.458 -73.7742 -87.1388 142.515 36.5628 -12.1683 92.5045 68.3719 PRESSAVG: 4335000 41.2182 20.0673 -2.79899 20.0674 -58.5536 14.4287 -2.79899 14.4286 -9.31981 GPRESSAVG: 4335000 40.5862 20.379 -1.93529 21.6611 -57.9381 14.0173 -5.36892 13.0473 -8.66224 TIMING: 4335000 CPU: 13775.8, 0.00315096/step Wall: 13775.8, 0.00315096/step, 0.582053 hours remaining, 238.480469 MB of memory in use. ENERGY: 4335000 3933.6071 20542.7057 14441.3325 254.1286 -203631.7430 2459.0257 0.0000 0.0000 52252.9910 -109747.9522 300.2987 -162000.9433 -109378.6954 298.5643 104.4240 128.7222 760738.1444 -8.8851 -8.6714 PRESSURE: 4335200 328.309 -254.468 -125.365 -254.468 8.09513 126.537 -125.364 126.538 -162.755 GPRESSURE: 4335200 299.824 -243.971 -203.557 -183.156 40.6502 157.024 -105.953 172.712 -81.1384 PRESSAVG: 4335200 66.1178 -52.6356 -17.7463 -52.6356 -23.9555 35.7027 -17.7462 35.7026 5.83175 GPRESSAVG: 4335200 65.9455 -51.939 -18.194 -54.9102 -23.89 36.2432 -15.6268 37.7451 5.98721 TIMING: 4335200 CPU: 13776.4, 0.00316906/step Wall: 13776.4, 0.00316906/step, 0.585219 hours remaining, 238.480469 MB of memory in use. ENERGY: 4335200 3991.7074 20374.4428 14427.5933 244.9101 -203493.3249 2673.1387 0.0000 0.0000 51898.9970 -109882.5356 298.2642 -161781.5325 -109529.1360 298.3224 57.8832 86.4454 762173.4524 15.9980 16.0142 PRESSURE: 4335400 -74.0653 -208.685 -252.472 -208.685 45.7393 -116.062 -252.473 -116.062 -100.645 GPRESSURE: 4335400 11.163 -223.57 -281.022 -250.498 100.526 -142.325 -405.027 -40.1945 -164.623 PRESSAVG: 4335400 -19.6619 -34.3335 -103.893 -34.3335 -14.4223 -34.8476 -103.893 -34.8476 -11.3639 GPRESSAVG: 4335400 -17.9706 -34.5517 -103.417 -34.7079 -15.1814 -35.2359 -106.135 -33.3563 -12.4621 TIMING: 4335400 CPU: 13777.1, 0.00320418/step Wall: 13777.1, 0.00320418/step, 0.591528 hours remaining, 238.480469 MB of memory in use. ENERGY: 4335400 4009.5419 20489.6576 14442.6945 255.5788 -203539.3639 2539.7818 0.0000 0.0000 52134.0463 -109668.0630 299.6151 -161802.1094 -109305.1574 298.6629 -42.9903 -17.6447 761341.6787 -15.1494 -15.2047 PRESSURE: 4335600 -158.814 -156.132 -354.049 -156.132 -232.404 290.435 -354.048 290.435 30.7671 GPRESSURE: 4335600 -139.695 -105.299 -316.112 -58.3274 -179.857 286.583 -203.477 250.518 39.7705 PRESSAVG: 4335600 17.9488 -53.2821 -47.0874 -53.2821 -15.0897 10.7463 -47.0874 10.7462 -27.99 GPRESSAVG: 4335600 15.9653 -53.8758 -47.7842 -50.3331 -13.288 12.4298 -48.4593 8.49479 -28.1112 TIMING: 4335600 CPU: 13777.7, 0.00315046/step Wall: 13777.7, 0.00315046/step, 0.581436 hours remaining, 238.480469 MB of memory in use. ENERGY: 4335600 3923.7288 20574.9626 14414.4649 238.6782 -203224.5460 2564.7300 0.0000 0.0000 51882.4336 -109625.5480 298.1691 -161507.9816 -109259.0828 298.9428 -120.1501 -93.2606 761631.3688 -8.3770 -8.4780 PRESSURE: 4335800 109.929 111.421 -179.579 111.42 298.778 -215.796 -179.578 -215.796 110.428 GPRESSURE: 4335800 109.816 154.504 -241.335 123.799 273.31 -162.317 -113.977 -254.101 221.719 PRESSAVG: 4335800 -16.9546 -41.9216 -19.9863 -41.9215 43.3069 27.06 -19.9863 27.0601 13.0258 GPRESSAVG: 4335800 -17.3316 -41.3499 -19.8501 -42.2693 43.751 24.396 -17.6545 25.8343 14.0339 TIMING: 4335800 CPU: 13778.3, 0.00318669/step Wall: 13778.3, 0.00318669/step, 0.587943 hours remaining, 238.480469 MB of memory in use. ENERGY: 4335800 3982.5046 20431.7413 14449.6836 270.8020 -203548.1783 2620.1574 0.0000 0.0000 52114.2225 -109679.0669 299.5012 -161793.2894 -109307.7644 299.2580 173.0449 201.6151 759878.3361 13.1261 13.4845 PRESSURE: 4336000 -79.6665 -33.2282 -6.16359 -33.2279 -310.197 73.8368 -6.16341 73.837 -378.651 GPRESSURE: 4336000 12.2818 -24.8602 9.34572 -41.9729 -251.171 23.0725 -156.538 37.6357 -447.293 PRESSAVG: 4336000 -13.3652 2.59674 -29.3661 2.59678 15.4676 9.83427 -29.3661 9.83422 6.20174 GPRESSAVG: 4336000 -11.7116 1.3918 -29.6643 1.0497 13.7394 9.77161 -30.1805 12.309 6.05868 TIMING: 4336000 CPU: 13779, 0.00316759/step Wall: 13779, 0.00316759/step, 0.584245 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4336000 3993.4594 20501.3812 14458.8803 249.8926 -203156.4983 2491.1710 0.0000 0.0000 52076.1592 -109385.5545 299.2824 -161461.7137 -109031.2272 298.9968 -256.1716 -228.7274 762074.7470 2.7680 2.6955 PRESSURE: 4336200 -520.664 -102.503 -199.52 -102.503 -60.2541 126.949 -199.52 126.948 -201.641 GPRESSURE: 4336200 -415.758 35.9715 -269.832 -170.91 -106.658 112.087 -117.627 138.483 -193.025 PRESSAVG: 4336200 10.912 20.2407 -27.6801 20.2407 -9.17374 41.7443 -27.6801 41.7443 -12.5045 GPRESSAVG: 4336200 10.5662 21.1345 -27.3656 20.4864 -8.70262 41.6072 -25.605 42.7327 -12.2738 TIMING: 4336200 CPU: 13779.6, 0.00317936/step Wall: 13779.6, 0.00317936/step, 0.586239 hours remaining, 238.480469 MB of memory in use. ENERGY: 4336200 4044.6519 20431.1211 14367.8020 242.4573 -202435.4112 1974.9782 0.0000 0.0000 51873.0373 -109501.3635 298.1151 -161374.4008 -109142.5596 298.9807 -260.8531 -238.4801 762422.8403 -3.5888 -3.4701 LDB: ============= START OF LOAD BALANCING ============== 13792 LDB: ============== END OF LOAD BALANCING =============== 13792 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13792 LDB: ============= START OF LOAD BALANCING ============== 13792.3 LDB: Largest compute 7067 load 0.037218 is 19.0% of average load 0.196116 LDB: Average compute 0.004381 is 2.2% of average load 0.196116 LDB: TIME 13792.3 LOAD: AVG 0.196116 MAX 0.215286 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 13792.3 LOAD: AVG 0.196116 MAX 0.215286 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 13792.3 LOAD: AVG 0.196116 MAX 0.215286 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 13792.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13792.3 PRESSURE: 4336400 147.02 129.173 -27.6822 129.174 -229.646 -108.406 -27.6819 -108.406 139.265 GPRESSURE: 4336400 150.029 168.112 -57.6345 -15.3224 -185.505 -133.58 -33.8787 -22.3713 185.526 PRESSAVG: 4336400 -9.52254 -58.9417 -22.8213 -58.9417 -7.90814 34.7585 -22.8213 34.7585 19.0131 GPRESSAVG: 4336400 -9.38535 -56.0955 -24.0018 -61.4624 -8.34702 35.7583 -25.6391 32.8782 18.5458 TIMING: 4336400 CPU: 13780.2, 0.00324349/step Wall: 13780.2, 0.00324349/step, 0.597883 hours remaining, 238.160156 MB of memory in use. ENERGY: 4336400 3941.5202 20436.3359 14456.7248 262.7602 -203511.2576 2765.7270 0.0000 0.0000 52043.4418 -109604.7476 299.0944 -161648.1894 -109248.2242 299.0412 18.8797 50.0166 760901.1408 0.5275 0.2711 PRESSURE: 4336600 138.001 -8.58477 161.098 -8.58394 27.0331 46.6 161.097 46.6008 -49.6676 GPRESSURE: 4336600 226.939 -15.3992 187.048 -200.505 7.02855 15.8433 198.935 51.1333 -59.914 PRESSAVG: 4336600 18.3779 -29.1259 -19.4641 -29.1259 -35.8308 10.9154 -19.4641 10.9154 9.32427 GPRESSAVG: 4336600 18.5781 -29.9496 -19.6164 -27.0455 -35.9877 10.1651 -17.8699 11.0431 8.87264 TIMING: 4336600 CPU: 13780.9, 0.00319026/step Wall: 13780.9, 0.00319026/step, 0.587894 hours remaining, 238.160156 MB of memory in use. ENERGY: 4336600 3991.2609 20486.5848 14434.6377 216.1568 -203294.9204 2537.6779 0.0000 0.0000 52013.1177 -109615.4846 298.9201 -161628.6024 -109257.0906 299.0515 38.4554 58.0178 760094.6817 -2.7095 -2.8457 PRESSURE: 4336800 27.6942 -32.6982 157.667 -32.6966 -197.637 40.8058 157.667 40.8052 458.071 GPRESSURE: 4336800 76.667 -128.873 75.7327 -126.224 -146.498 49.9698 166.071 120.63 419.108 PRESSAVG: 4336800 14.4777 -17.0842 -25.5295 -17.0842 -32.7211 22.8702 -25.5295 22.8702 -21.0291 GPRESSAVG: 4336800 13.2627 -18.5684 -24.1654 -16.3912 -32.13 23.5174 -23.8822 24.245 -20.7665 TIMING: 4336800 CPU: 13781.5, 0.00316387/step Wall: 13781.5, 0.00316387/step, 0.582855 hours remaining, 238.160156 MB of memory in use. ENERGY: 4336800 4071.6483 20322.2602 14392.8782 256.8228 -203446.3396 2673.9418 0.0000 0.0000 51979.7588 -109749.0295 298.7284 -161728.7883 -109395.0663 298.5240 96.0427 116.4258 761445.7235 -13.0908 -13.2112 PRESSURE: 4337000 -405.122 -117.773 -44.1695 -117.772 -327.402 139.148 -44.1689 139.149 -300.534 GPRESSURE: 4337000 -367.917 -51.7724 -75.1294 -97.1924 -292.629 55.2376 -32.5259 83.287 -283.826 PRESSAVG: 4337000 70.8329 -44.1845 13.3576 -44.1846 -60.9235 13.4992 13.3576 13.4993 16.8525 GPRESSAVG: 4337000 71.2152 -43.9598 13.6215 -46.6176 -60.9244 13.0548 9.71896 12.7483 16.9931 TIMING: 4337000 CPU: 13782.1, 0.00317616/step Wall: 13782.1, 0.00317616/step, 0.584943 hours remaining, 238.160156 MB of memory in use. ENERGY: 4337000 4041.0415 20582.1044 14409.5781 249.4534 -203169.2045 2432.6326 0.0000 0.0000 51803.2984 -109651.0961 297.7143 -161454.3945 -109295.9764 297.9060 -344.3527 -314.7908 760494.8733 8.9206 9.0946 PRESSURE: 4337200 -126.256 -14.2821 39.5773 -14.2826 -101.145 -217.245 39.5771 -217.245 66.754 GPRESSURE: 4337200 -199.633 -57.1867 201.477 -46.0619 -36.1371 -160.283 -111.676 -112.031 160.818 PRESSAVG: 4337200 -26.2702 -44.0958 -48.8114 -44.0957 16.7976 5.68687 -48.8114 5.68688 -0.928221 GPRESSAVG: 4337200 -25.8607 -42.5691 -47.7338 -43.7332 17.5187 6.54522 -47.8753 3.39521 -2.24953 TIMING: 4337200 CPU: 13782.8, 0.00317492/step Wall: 13782.8, 0.00317492/step, 0.584538 hours remaining, 238.160156 MB of memory in use. ENERGY: 4337200 3939.7082 20396.5135 14359.0515 251.6759 -203460.2832 2867.9109 0.0000 0.0000 52079.8960 -109565.5273 299.3039 -161645.4233 -109197.4613 298.9932 -53.5491 -24.9842 761917.6573 -3.4669 -3.5305 PRESSURE: 4337400 -218.293 -104.18 54.838 -104.179 -156.114 -226.464 54.8372 -226.464 -165.685 GPRESSURE: 4337400 -162.364 -89.9985 14.7523 -96.7852 -195.648 -235.39 44.2427 -168.311 -118.496 PRESSAVG: 4337400 -9.47618 -34.4637 -2.39432 -34.4636 49.282 25.0401 -2.39441 25.04 -0.858944 GPRESSAVG: 4337400 -10.2384 -34.3964 -4.59044 -34.7241 49.7912 24.3047 -1.27016 26.6449 -0.676025 TIMING: 4337400 CPU: 13783.4, 0.00315819/step Wall: 13783.4, 0.00315819/step, 0.581282 hours remaining, 238.160156 MB of memory in use. ENERGY: 4337400 4004.4289 20620.6671 14457.5147 269.0064 -203026.2052 2381.1140 0.0000 0.0000 52066.5099 -109226.9641 299.2269 -161293.4740 -108868.8851 299.7474 -180.0305 -158.8359 762481.2551 12.9823 12.9589 PRESSURE: 4337600 156.64 -121.631 150.835 -121.632 11.845 -96.8945 150.835 -96.8945 293.324 GPRESSURE: 4337600 183.252 -68.3313 139.344 -149.375 28.8877 -107.438 152.834 -209.35 334.39 PRESSAVG: 4337600 -18.3159 -61.9768 30.7131 -61.9767 13.7029 -17.9771 30.7131 -17.9771 -20.5034 GPRESSAVG: 4337600 -18.0857 -62.9101 29.3593 -60.4565 12.331 -18.2998 30.7257 -17.5235 -19.3236 TIMING: 4337600 CPU: 13784, 0.00316719/step Wall: 13784, 0.00316719/step, 0.582763 hours remaining, 238.160156 MB of memory in use. ENERGY: 4337600 4000.1226 20549.7845 14457.3973 255.1397 -203138.6965 2653.5776 0.0000 0.0000 52120.9409 -109101.7339 299.5398 -161222.6748 -108740.7590 299.8266 153.9363 182.1766 762529.0078 -8.3721 -8.3594 PRESSURE: 4337800 -508.343 65.5971 -247.01 65.5961 324.558 -100.474 -247.01 -100.473 -292.241 GPRESSURE: 4337800 -446.716 125.916 -274.984 81.466 348.822 -42.3921 -134.596 -10.3433 -303.628 PRESSAVG: 4337800 -39.4536 -16.9973 29.217 -16.9973 61.6342 -36.2959 29.217 -36.2959 0.417287 GPRESSAVG: 4337800 -40.3451 -16.8161 31.1491 -17.2103 62.8093 -35.5407 27.292 -34.7403 0.0859542 TIMING: 4337800 CPU: 13784.7, 0.00315488/step Wall: 13784.7, 0.00315488/step, 0.580323 hours remaining, 238.160156 MB of memory in use. ENERGY: 4337800 3993.9725 20432.1925 14539.6818 251.4273 -203062.2085 2466.2101 0.0000 0.0000 52213.2989 -109165.4255 300.0705 -161378.7244 -108800.5570 299.8850 -158.6751 -133.8409 762304.6867 7.5326 7.5167 PRESSURE: 4338000 -25.5208 -253.146 202.391 -253.146 164.574 5.45625 202.392 5.45663 -144.73 GPRESSURE: 4338000 62.5578 -259.92 170.81 -282.773 125.864 -50.212 100.669 -128.548 -104.736 PRESSAVG: 4338000 9.83781 -11.6167 20.3239 -11.6167 37.912 -58.9608 20.324 -58.9609 -28.4624 GPRESSAVG: 4338000 12.2229 -13.102 20.233 -10.3397 36.2884 -61.2106 21.611 -59.977 -28.7712 TIMING: 4338000 CPU: 13785.3, 0.00316933/step Wall: 13785.3, 0.00316933/step, 0.582804 hours remaining, 238.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4338000 4021.9324 20627.0844 14505.1466 275.9516 -203049.1950 2444.8269 0.0000 0.0000 51920.2792 -109253.9739 298.3866 -161174.2531 -108899.7854 299.5568 -1.8924 27.8951 761270.7592 6.4292 6.5801 PRESSURE: 4338200 -100.689 132.31 136.159 132.311 -107.588 -153.558 136.159 -153.558 3.17539 GPRESSURE: 4338200 -88.9745 94.3047 67.0276 145.001 -120.01 -81.9338 51.1616 -107.35 92.3359 PRESSAVG: 4338200 20.7136 -67.996 1.58097 -67.9961 8.46481 -18.596 1.581 -18.596 5.09741 GPRESSAVG: 4338200 18.4201 -67.0025 1.0374 -69.254 9.46579 -15.7942 0.985081 -20.5995 5.8288 TIMING: 4338200 CPU: 13785.9, 0.00316155/step Wall: 13785.9, 0.00316155/step, 0.581197 hours remaining, 238.160156 MB of memory in use. ENERGY: 4338200 3972.3530 20877.2331 14381.2619 254.8779 -203080.8178 2475.2581 0.0000 0.0000 51987.3785 -109132.4553 298.7722 -161119.8339 -108776.0386 299.6624 -68.3672 -38.8830 761671.7835 11.4253 11.2382 PRESSURE: 4338400 -217.788 -157.527 -56.817 -157.528 -348.819 -81.0666 -56.8164 -81.0675 308.299 GPRESSURE: 4338400 -128.541 -74.3581 -69.1147 -117.595 -366.4 -37.79 -51.4075 -59.9084 306.525 PRESSAVG: 4338400 37.4722 -39.1896 -4.80873 -39.1896 -68.9269 51.7766 -4.80868 51.7766 12.1434 GPRESSAVG: 4338400 38.3994 -39.604 -5.21529 -39.5186 -69.6744 52.4289 -4.50605 53.5299 11.514 TIMING: 4338400 CPU: 13786.6, 0.00317829/step Wall: 13786.6, 0.00317829/step, 0.5841 hours remaining, 238.160156 MB of memory in use. ENERGY: 4338400 3998.8920 20629.6756 14443.5452 248.2515 -203033.3592 2316.8361 0.0000 0.0000 52338.4367 -109057.7220 300.7897 -161396.1588 -108693.3394 299.9752 -86.1026 -62.8053 761611.4117 -6.4371 -6.5870 PRESSURE: 4338600 -120.023 95.5175 -18.8176 95.5186 -129.979 -75.5461 -18.8176 -75.5462 87.7133 GPRESSURE: 4338600 -55.2723 127.859 -12.855 58.3077 -98.3702 -52.2011 -24.6694 -84.4458 64.9105 PRESSAVG: 4338600 28.8218 -50.6244 -14.2465 -50.6244 -40.3312 19.4004 -14.2465 19.4004 0.106843 GPRESSAVG: 4338600 29.1962 -49.8116 -13.3272 -48.2955 -40.3843 19.2196 -13.4209 18.8519 -0.25977 TIMING: 4338600 CPU: 13787.2, 0.00316553/step Wall: 13787.2, 0.00316553/step, 0.581578 hours remaining, 238.160156 MB of memory in use. ENERGY: 4338600 3949.0361 20474.7789 14454.8089 283.5348 -203252.0858 2767.0618 0.0000 0.0000 52398.0448 -108924.8205 301.1323 -161322.8653 -108556.2690 300.4121 -54.0962 -29.5774 762539.4400 -3.8009 -3.8159 PRESSURE: 4338800 -42.1841 -117.242 275.029 -117.242 97.1089 15.8308 275.029 15.8311 32.7898 GPRESSURE: 4338800 14.1879 -131.044 250.365 -38.6591 136.282 74.3975 264.8 -47.7901 37.1039 PRESSAVG: 4338800 42.6202 -33.6685 -13.9372 -33.6685 -7.26946 13.4841 -13.9373 13.4842 -8.02275 GPRESSAVG: 4338800 41.9971 -35.8052 -15.374 -34.6118 -6.23228 12.839 -15.2709 13.1403 -7.90055 TIMING: 4338800 CPU: 13787.8, 0.0031635/step Wall: 13787.8, 0.0031635/step, 0.58103 hours remaining, 238.160156 MB of memory in use. ENERGY: 4338800 3997.3024 20566.7317 14520.3996 248.9622 -202670.6005 2444.4573 0.0000 0.0000 51964.6776 -108928.0696 298.6417 -160892.7472 -108572.4964 300.5906 29.2382 62.5245 764157.0476 9.1093 9.2881 PRESSURE: 4339000 -38.1976 -190.595 -236.177 -190.594 -191.396 231.38 -236.176 231.38 381.868 GPRESSURE: 4339000 -47.8713 -208.275 -169.521 -192.696 -132.55 100.768 -207.193 110.735 417.791 PRESSAVG: 4339000 34.0249 -21.0164 -27.8145 -21.0165 -20.8468 35.7513 -27.8144 35.7513 -7.04061 GPRESSAVG: 4339000 32.6583 -19.8564 -25.2751 -21.7245 -20.0171 36.0451 -26.8423 36.4856 -6.78068 TIMING: 4339000 CPU: 13788.5, 0.00316987/step Wall: 13788.5, 0.00316987/step, 0.582024 hours remaining, 238.160156 MB of memory in use. ENERGY: 4339000 4029.4330 20442.0269 14452.2687 259.1883 -202604.7070 2412.6048 0.0000 0.0000 52200.2231 -108808.9622 299.9954 -161009.1854 -108443.7091 300.5149 50.7583 79.1231 762555.8147 2.0458 1.9535 PRESSURE: 4339200 -240.781 153.678 147.082 153.678 -155.156 -67.2405 147.082 -67.2402 -111.658 GPRESSURE: 4339200 -145.013 103.442 187.441 74.6288 -210.417 -31.1298 22.7883 -195.949 -80.334 PRESSAVG: 4339200 -14.3909 -33.2683 -13.9719 -33.2683 21.5144 -5.29221 -13.972 -5.29205 2.57203 GPRESSAVG: 4339200 -12.7288 -32.708 -15.1192 -33.4282 19.141 -5.25425 -14.29 -4.25283 3.39207 TIMING: 4339200 CPU: 13789.1, 0.00319967/step Wall: 13789.1, 0.00319967/step, 0.587317 hours remaining, 238.160156 MB of memory in use. ENERGY: 4339200 4025.7656 20665.7758 14424.9612 243.8151 -202557.2368 2326.9306 0.0000 0.0000 52048.8012 -108821.1875 299.1252 -160869.9886 -108462.4096 300.5409 -169.1983 -145.2545 765267.6154 3.2318 3.2681 PRESSURE: 4339400 -370.673 11.6423 108.027 11.6422 107.568 245.153 108.028 245.154 317.216 GPRESSURE: 4339400 -296.918 52.5957 140.145 10.672 6.78216 216.913 100.956 72.0077 414.859 PRESSAVG: 4339400 43.4352 -5.33244 7.89191 -5.33238 -40.1191 29.11 7.89191 29.11 -7.29888 GPRESSAVG: 4339400 42.9111 -4.27896 7.64523 -4.10298 -38.1103 28.6634 7.97427 29.1874 -8.80998 TIMING: 4339400 CPU: 13789.8, 0.0032081/step Wall: 13789.8, 0.0032081/step, 0.588686 hours remaining, 238.160156 MB of memory in use. ENERGY: 4339400 3901.9312 20656.3167 14402.9771 238.6268 -203118.9193 2742.7400 0.0000 0.0000 52286.8558 -108889.4718 300.4933 -161176.3275 -108507.5106 300.4476 18.0371 41.5741 764614.9187 -1.3276 -1.3364 PRESSURE: 4339600 -59.1194 145.329 177.108 145.33 -211.278 6.99456 177.108 6.995 -125.07 GPRESSURE: 4339600 23.0473 30.4058 225.761 8.28494 -185.128 -38.0974 257.729 -56.8247 -148.776 PRESSAVG: 4339600 -41.5733 -31.6435 16.409 -31.6435 -8.86187 -7.09909 16.4091 -7.09907 -12.8131 GPRESSAVG: 4339600 -41.8286 -33.7038 16.9273 -32.3953 -9.33653 -8.06819 18.374 -6.49278 -11.8783 TIMING: 4339600 CPU: 13790.4, 0.00317957/step Wall: 13790.4, 0.00317957/step, 0.583274 hours remaining, 238.160156 MB of memory in use. ENERGY: 4339600 3974.2080 20507.1082 14383.6401 250.3142 -202672.9942 2481.3948 0.0000 0.0000 52412.0907 -108664.2382 301.2130 -161076.3289 -108302.8238 300.2101 -131.8224 -103.6188 766229.8493 -21.0828 -21.0145 PRESSURE: 4339800 -134.128 -44.3298 5.64918 -44.3295 160.098 107.065 5.64886 107.064 213.146 GPRESSURE: 4339800 -97.824 -148.592 -2.89882 -96.5515 293.91 70.7147 -14.1786 -13.3926 129.008 PRESSAVG: 4339800 10.7362 -19.8479 43.3386 -19.8479 9.03454 73.3377 43.3386 73.3377 -3.05219 GPRESSAVG: 4339800 12.0422 -17.7165 43.5819 -20.7186 8.65379 77.461 42.2214 70.966 -4.39785 TIMING: 4339800 CPU: 13791, 0.00317068/step Wall: 13791, 0.00317068/step, 0.581467 hours remaining, 238.160156 MB of memory in use. ENERGY: 4339800 4049.8467 20338.2195 14525.8868 227.7058 -203204.2861 2804.9154 0.0000 0.0000 52362.5186 -108895.1934 300.9281 -161257.7119 -108538.0211 300.5251 79.7051 108.3649 763568.5456 5.5728 5.4327 PRESSURE: 4340000 73.7801 -150.972 -16.1965 -150.971 -141.709 -130.82 -16.1967 -130.82 -394.432 GPRESSURE: 4340000 51.6705 -61.6819 45.0399 -213.149 -78.4167 -269.717 -6.29882 -7.87346 -346.688 PRESSAVG: 4340000 41.0051 -8.25699 12.6111 -8.25701 -31.3418 -5.78516 12.611 -5.78515 -17.4365 GPRESSAVG: 4340000 38.525 -8.9514 11.7462 -4.5443 -30.9745 -7.46189 14.6289 -5.48381 -15.5148 TIMING: 4340000 CPU: 13791.7, 0.00318834/step Wall: 13791.7, 0.00318834/step, 0.584529 hours remaining, 238.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4340000 3964.5710 20579.3095 14451.9315 250.4846 -202831.0605 2502.1637 0.0000 0.0000 52427.4492 -108655.1510 301.3013 -161082.6002 -108285.0854 300.6140 -154.1203 -124.4780 763760.2287 -2.5911 -2.6548 PRESSURE: 4340200 -433.094 -69.1646 126.236 -69.1641 -190.143 62.84 126.235 62.8395 -386.719 GPRESSURE: 4340200 -300.943 -78.2955 74.9076 35.015 -109.898 148.532 162.234 60.584 -512.088 PRESSAVG: 4340200 -30.2086 -50.8505 2.70166 -50.8507 30.088 34.0976 2.70169 34.0976 9.55839 GPRESSAVG: 4340200 -29.4138 -51.6811 2.76825 -52.4637 29.9369 31.8211 -1.68699 36.4383 8.65999 TIMING: 4340200 CPU: 13792.3, 0.00316875/step Wall: 13792.3, 0.00316875/step, 0.580762 hours remaining, 238.160156 MB of memory in use. ENERGY: 4340200 3913.0038 20382.8912 14508.0826 240.4869 -202650.6660 2277.5876 0.0000 0.0000 52554.8627 -108773.7513 302.0335 -161328.6140 -108396.0813 300.8117 -336.6522 -307.6428 764535.2350 3.1459 3.0611 LDB: ============= START OF LOAD BALANCING ============== 13804.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13804.7 LDB: =============== DONE WITH MIGRATION ================ 13804.7 LDB: ============= START OF LOAD BALANCING ============== 13805 LDB: Largest compute 7067 load 0.034071 is 17.4% of average load 0.196030 LDB: Average compute 0.004377 is 2.2% of average load 0.196030 LDB: TIME 13805 LOAD: AVG 0.19603 MAX 0.219474 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 13805 LOAD: AVG 0.19603 MAX 0.219474 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 13805 LOAD: AVG 0.19603 MAX 0.219474 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13805 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13805 PRESSURE: 4340400 181.064 -351.671 13.1983 -351.67 -313.081 -21.8425 13.1988 -21.843 64.4335 GPRESSURE: 4340400 225.297 -212.075 91.8252 -227.304 -236.265 20.0848 -106.281 -32.3988 13.1486 PRESSAVG: 4340400 46.2533 -56.0639 -26.2583 -56.0639 -41.0083 -12.5785 -26.2583 -12.5786 -37.4958 GPRESSAVG: 4340400 46.269 -54.6838 -26.1064 -56.1656 -41.6211 -9.92828 -24.88 -13.4087 -36.7559 TIMING: 4340400 CPU: 13792.9, 0.00324255/step Wall: 13792.9, 0.00324255/step, 0.594108 hours remaining, 238.867188 MB of memory in use. ENERGY: 4340400 4004.2275 20612.1178 14432.7696 243.5299 -202627.8754 2528.0752 0.0000 0.0000 51994.0718 -108813.0836 298.8106 -160807.1554 -108455.3322 300.9503 -22.5279 0.7269 763131.0750 -10.7503 -10.7027 PRESSURE: 4340600 206.473 91.3685 14.5716 91.3696 72.1912 161.434 14.572 161.434 264.723 GPRESSURE: 4340600 237.412 185.417 12.443 137.462 142.074 76.2241 8.0999 199.923 256.201 PRESSAVG: 4340600 41.502 -47.2292 18.2011 -47.2292 -7.21096 -11.3721 18.2011 -11.3721 0.263021 GPRESSAVG: 4340600 42.1765 -47.8007 18.465 -48.1007 -7.11797 -12.3199 19.1263 -10.9878 0.00476255 TIMING: 4340600 CPU: 13793.6, 0.00318762/step Wall: 13793.6, 0.00318762/step, 0.583865 hours remaining, 239.070312 MB of memory in use. ENERGY: 4340600 3953.7577 20524.7117 14471.8234 232.3549 -202974.9600 2601.1131 0.0000 0.0000 52355.9589 -108835.2403 300.8904 -161191.1992 -108469.7361 300.6169 181.1289 211.8958 762526.1712 11.5180 11.6878 PRESSURE: 4340800 224.531 -20.4415 105.163 -20.4409 429.87 17.8177 105.165 17.8177 -150.369 GPRESSURE: 4340800 293.964 70.9115 106.519 -8.90013 360.372 -30.5992 31.3449 -76.9204 -72.0779 PRESSAVG: 4340800 17.4946 -78.9798 -32.2371 -78.9797 -22.804 -23.9268 -32.237 -23.9268 -12.251 GPRESSAVG: 4340800 17.5769 -79.0162 -32.6621 -78.9041 -23.6898 -24.5507 -31.6683 -24.5447 -11.5913 TIMING: 4340800 CPU: 13794.2, 0.00318889/step Wall: 13794.2, 0.00318889/step, 0.583921 hours remaining, 239.328125 MB of memory in use. ENERGY: 4340800 3978.6922 20450.5096 14416.1187 236.9255 -203307.9876 2782.7141 0.0000 0.0000 52337.0832 -109105.9443 300.7819 -161443.0275 -108746.1260 300.4524 168.0106 194.0860 760667.0738 -5.8534 -5.9014 PRESSURE: 4341000 348.481 109.645 41.856 109.645 58.5724 -106.435 41.8565 -106.435 14.0764 GPRESSURE: 4341000 335.049 -80.8379 59.1195 87.7658 184.902 -115.551 56.2548 -40.5215 0.888152 PRESSAVG: 4341000 5.52705 -5.87514 -34.3844 -5.87513 -13.9446 8.49541 -34.3844 8.49542 9.47057 GPRESSAVG: 4341000 6.90621 -5.28275 -35.15 -8.76 -13.8156 8.89991 -34.6375 9.39764 8.31495 TIMING: 4341000 CPU: 13794.9, 0.00317811/step Wall: 13794.9, 0.00317812/step, 0.581772 hours remaining, 239.328125 MB of memory in use. ENERGY: 4341000 4038.8840 20537.2451 14439.7479 231.9313 -202987.0010 2464.8945 0.0000 0.0000 51951.8553 -109322.4427 298.5680 -161274.2981 -108972.0256 299.9044 140.3765 173.6128 760377.6835 0.3510 0.4685 PRESSURE: 4341200 -198.896 -93.7312 -48.6873 -93.7308 7.84401 82.5261 -48.6863 82.5258 -82.8666 GPRESSURE: 4341200 -166.224 -115.457 -39.0671 -39.5199 64.5898 32.6777 -134.133 92.419 -105.221 PRESSAVG: 4341200 -18.8887 -25.7102 -4.37065 -25.7102 61.7279 -3.33702 -4.37068 -3.33702 9.98623 GPRESSAVG: 4341200 -19.3362 -25.0069 -4.34763 -21.928 62.1053 -3.24635 -4.99303 -3.59223 10.1535 TIMING: 4341200 CPU: 13795.5, 0.00316028/step Wall: 13795.5, 0.00316028/step, 0.578332 hours remaining, 239.328125 MB of memory in use. ENERGY: 4341200 3969.2282 20473.0481 14458.3989 256.5884 -202957.8459 2300.9030 0.0000 0.0000 52274.9038 -109224.7756 300.4246 -161499.6794 -108866.1659 299.6834 -91.3063 -68.9517 760451.3352 17.6085 17.6409 PRESSURE: 4341400 379.894 -173.5 -33.847 -173.5 21.6621 -168.446 -33.8472 -168.445 28.4645 GPRESSURE: 4341400 339.42 -229.968 -133.573 -202.645 135.074 -178.059 -45.3422 -246.837 40.935 PRESSAVG: 4341400 -48.1895 -42.9814 71.0412 -42.9814 59.3775 -2.61734 71.0412 -2.61734 -5.15813 GPRESSAVG: 4341400 -49.197 -43.7894 70.2312 -43.9749 60.6995 -3.27359 70.7138 -3.11319 -5.21069 TIMING: 4341400 CPU: 13796.1, 0.00316933/step Wall: 13796.1, 0.00316933/step, 0.579811 hours remaining, 239.328125 MB of memory in use. ENERGY: 4341400 3971.5568 20511.1137 14456.7744 253.7133 -203250.5678 2632.9719 0.0000 0.0000 52372.8895 -109051.5481 300.9877 -161424.4377 -108685.6545 300.4863 143.3402 171.8096 761343.5201 2.0100 2.0973 PRESSURE: 4341600 3.50401 302.832 -27.8366 302.832 143.771 -356.305 -27.837 -356.306 -167.048 GPRESSURE: 4341600 107.953 272.272 -77.8412 278.894 158.766 -388.703 140.635 -185.061 -203.728 PRESSAVG: 4341600 -43.5049 -27.9957 0.0981319 -27.9957 19.2121 -6.2184 0.0981088 -6.21841 11.241 GPRESSAVG: 4341600 -42.466 -28.6682 1.53211 -26.6946 17.3838 -6.03559 1.20993 -6.94882 11.8513 TIMING: 4341600 CPU: 13796.8, 0.00317054/step Wall: 13796.8, 0.00317054/step, 0.579856 hours remaining, 239.328125 MB of memory in use. ENERGY: 4341600 4032.9705 20763.1501 14390.5481 229.4516 -202636.1614 2230.3516 0.0000 0.0000 51834.8637 -109154.8259 297.8957 -160989.6896 -108802.5488 300.4765 -6.5909 20.9971 761934.1330 -4.3506 -4.4103 PRESSURE: 4341800 95.0832 -149.019 -57.0585 -149.019 -191.134 29.33 -57.0593 29.3304 105.391 GPRESSURE: 4341800 94.2184 -143.462 -83.0689 -55.7411 -152.089 69.1084 -198.049 4.49984 145.793 PRESSAVG: 4341800 -49.5217 3.81048 42.4304 3.81049 7.0033 -2.29384 42.4304 -2.29385 -27.6929 GPRESSAVG: 4341800 -50.6212 2.02513 42.4037 3.48727 8.23208 -2.40578 40.2605 -1.35801 -27.6869 TIMING: 4341800 CPU: 13797.4, 0.00314591/step Wall: 13797.4, 0.00314591/step, 0.575178 hours remaining, 239.328125 MB of memory in use. ENERGY: 4341800 3973.6142 20543.4171 14375.6961 251.5409 -203199.2380 2647.3791 0.0000 0.0000 52090.1024 -109317.4881 299.3625 -161407.5905 -108956.4442 299.2237 3.1135 29.3073 761996.2038 -23.4037 -23.3587 PRESSURE: 4342000 -361.748 -102.751 205.016 -102.751 16.3573 259.991 205.016 259.99 -217.472 GPRESSURE: 4342000 -365.844 -51.9231 183.619 -48.4808 34.1258 282.572 232.417 182.492 -147.3 PRESSAVG: 4342000 -45.6628 -26.8973 -17.224 -26.8972 66.6105 -17.9881 -17.2239 -17.9882 22.4538 GPRESSAVG: 4342000 -45.8545 -25.537 -17.6696 -26.6991 66.3113 -17.1621 -14.3969 -20.1599 22.8381 TIMING: 4342000 CPU: 13798, 0.00318798/step Wall: 13798, 0.00318798/step, 0.582692 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4342000 4036.9055 20622.0309 14449.3581 236.1768 -203140.2170 2396.8461 0.0000 0.0000 52135.9124 -109262.9871 299.6258 -161398.8995 -108892.4135 299.5794 -187.6208 -159.6728 761224.2732 14.4672 14.4316 PRESSURE: 4342200 -149.642 88.4769 -207.563 88.4774 132.369 87.4011 -207.563 87.4019 -257.884 GPRESSURE: 4342200 -50.9341 7.2445 -115.149 37.6728 132.167 75.8958 -269.276 135.384 -267.974 PRESSAVG: 4342200 -50.0835 -1.11228 -36.3753 -1.11227 24.1384 24.256 -36.3753 24.2562 -0.153733 GPRESSAVG: 4342200 -49.4478 0.851064 -36.0284 -3.27127 24.5552 22.6698 -39.0816 25.3142 -1.20681 TIMING: 4342200 CPU: 13798.7, 0.00318523/step Wall: 13798.7, 0.00318523/step, 0.582012 hours remaining, 239.328125 MB of memory in use. ENERGY: 4342200 4007.6523 20535.0208 14460.7835 251.5619 -203349.4555 2488.2758 0.0000 0.0000 52283.8212 -109322.3400 300.4758 -161606.1612 -108953.2083 299.5223 -91.7188 -62.2469 761750.7004 -8.6996 -8.6998 PRESSURE: 4342400 -129.381 71.1736 140.292 71.1729 -61.9 -9.17751 140.292 -9.17816 29.1503 GPRESSURE: 4342400 -34.1539 92.5461 197.862 21.0422 -139.646 -21.0232 219.032 52.8875 110.381 PRESSAVG: 4342400 0.283332 -22.1795 10.6383 -22.1795 8.55609 -25.9318 10.6382 -25.9318 -15.5736 GPRESSAVG: 4342400 0.334925 -23.4191 9.86724 -21.9912 8.38575 -25.1345 12.4811 -26.056 -15.6007 TIMING: 4342400 CPU: 13799.3, 0.00316481/step Wall: 13799.3, 0.00316481/step, 0.578106 hours remaining, 239.328125 MB of memory in use. ENERGY: 4342400 3976.9716 20500.8336 14498.4687 234.5671 -203337.9984 2579.3171 0.0000 0.0000 52102.2349 -109445.6055 299.4323 -161547.8404 -109085.7756 299.8702 -54.0436 -21.1395 760457.6225 -2.2447 -2.2933 PRESSURE: 4342600 97.7736 25.9513 253.267 25.9506 -105.929 -185.519 253.266 -185.519 -79.9717 GPRESSURE: 4342600 67.7363 4.42972 142.639 51.0853 -94.1943 -185.421 313.91 -173.32 15.4555 PRESSAVG: 4342600 14.5574 19.8481 32.3988 19.8481 -22.1837 -35.2206 32.3988 -35.2205 -11.2775 GPRESSAVG: 4342600 13.474 19.3155 32.6138 19.4446 -21.2695 -36.1255 31.2464 -33.2226 -11.1057 TIMING: 4342600 CPU: 13799.9, 0.00318224/step Wall: 13799.9, 0.00318224/step, 0.581112 hours remaining, 239.328125 MB of memory in use. ENERGY: 4342600 3988.9063 20475.6717 14406.7783 256.7548 -203703.6637 2829.8808 0.0000 0.0000 52221.0646 -109524.6074 300.1152 -161745.6719 -109167.2805 299.9495 -29.3756 -3.6675 760357.8672 -6.3013 -6.3004 PRESSURE: 4342800 199.247 -132.169 253.418 -132.169 -98.939 78.5559 253.418 78.5557 42.5609 GPRESSURE: 4342800 216.786 -19.4048 291.371 -158.321 22.8645 80.228 145.759 27.1902 -1.41545 PRESSAVG: 4342800 -30.2916 -40.9037 50.6956 -40.9037 15.2451 -11.0377 50.6957 -11.0377 26.4081 GPRESSAVG: 4342800 -29.8688 -41.0131 50.5202 -39.6804 14.3791 -9.70433 51.6616 -12.8139 26.3592 TIMING: 4342800 CPU: 13800.6, 0.00319371/step Wall: 13800.6, 0.00319371/step, 0.583029 hours remaining, 239.328125 MB of memory in use. ENERGY: 4342800 3989.6681 20609.5004 14377.2046 242.6435 -203534.7584 2622.6530 0.0000 0.0000 52152.7066 -109540.3823 299.7223 -161693.0889 -109176.6509 299.7876 47.6231 79.4116 761516.5116 3.7872 3.6232 PRESSURE: 4343000 -251.515 94.9084 -189.495 94.9082 116.092 116.953 -189.495 116.954 -222.617 GPRESSURE: 4343000 -300.716 147.315 -180.087 70.0252 206.723 44.953 -258.069 99.0434 -186.429 PRESSAVG: 4343000 -41.5498 -32.512 13.4634 -32.512 53.586 -4.35815 13.4634 -4.35816 3.66064 GPRESSAVG: 4343000 -42.2177 -33.0148 14.251 -32.9208 53.9146 -4.43761 12.7898 -3.76431 3.83965 TIMING: 4343000 CPU: 13801.2, 0.00317089/step Wall: 13801.2, 0.00317089/step, 0.578687 hours remaining, 239.328125 MB of memory in use. ENERGY: 4343000 4093.3285 20645.9807 14427.6742 247.9396 -203108.7279 2368.1319 0.0000 0.0000 51914.6185 -109411.0545 298.3540 -161325.6730 -109062.1830 299.6387 -119.3466 -93.4737 761823.5315 5.2323 5.1788 PRESSURE: 4343200 182.027 -128.549 -47.1099 -128.548 383.6 -76.2644 -47.1097 -76.2656 478.618 GPRESSURE: 4343200 252.495 -95.741 -61.8582 -63.749 468.411 -94.7048 -28.1406 -105.782 412.434 PRESSAVG: 4343200 -93.316 -34.7993 -4.68855 -34.7993 99.5538 -16.443 -4.68846 -16.4431 -17.1497 GPRESSAVG: 4343200 -93.4901 -34.1444 -6.04011 -35.0112 100.369 -15.5426 -5.16874 -17.0558 -17.5299 TIMING: 4343200 CPU: 13801.8, 0.00319695/step Wall: 13801.8, 0.00319695/step, 0.583266 hours remaining, 239.328125 MB of memory in use. ENERGY: 4343200 3979.4723 20578.0905 14434.0298 270.8592 -203829.0492 2788.8073 0.0000 0.0000 52450.4194 -109327.3708 301.4333 -161777.7902 -108967.4058 299.7534 348.0818 377.7804 759841.7631 -3.6373 -3.5503 PRESSURE: 4343400 -85.5223 -94.5343 51.9865 -94.5349 88.1403 -8.12335 51.9867 -8.1229 -200.373 GPRESSURE: 4343400 -10.4303 -180.339 107.875 -140.325 65.7986 -83.6259 54.4419 128.518 -191.316 PRESSAVG: 4343400 -11.2292 -10.8051 -62.2861 -10.8052 34.8254 -26.8074 -62.286 -26.8074 -11.502 GPRESSAVG: 4343400 -10.0616 -13.1131 -61.413 -11.726 33.1074 -28.5075 -60.77 -25.8634 -10.9884 TIMING: 4343400 CPU: 13802.5, 0.00322836/step Wall: 13802.5, 0.00322836/step, 0.588817 hours remaining, 239.328125 MB of memory in use. ENERGY: 4343400 3995.4562 20615.7067 14453.3545 255.4072 -203432.6616 2581.6607 0.0000 0.0000 52195.8446 -109335.2317 299.9702 -161531.0762 -108966.4507 299.9040 -65.9182 -45.3158 761167.9978 4.0314 4.0191 PRESSURE: 4343600 -84.9933 20.3937 13.6837 20.3941 195.002 -195.045 13.6829 -195.044 83.0255 GPRESSURE: 4343600 -71.2897 102.939 64.8383 183.446 222.607 -141.017 -6.85166 -175.136 130.126 PRESSAVG: 4343600 -60.7259 26.9528 -69.8417 26.9528 85.1204 -15.0952 -69.8417 -15.0951 5.57422 GPRESSAVG: 4343600 -60.4722 28.1933 -70.9439 28.4391 84.4445 -14.1778 -70.6327 -15.2079 6.46918 TIMING: 4343600 CPU: 13803.1, 0.0032342/step Wall: 13803.1, 0.0032342/step, 0.589702 hours remaining, 239.328125 MB of memory in use. ENERGY: 4343600 3986.1965 20684.6025 14448.1093 239.5782 -203447.5890 2567.4063 0.0000 0.0000 52227.2655 -109294.4307 300.1508 -161521.6962 -108933.6204 300.0082 64.3449 93.8145 762359.6949 9.9896 10.1472 PRESSURE: 4343800 -339.163 -40.2808 102.462 -40.2811 306.958 -95.8422 102.461 -95.8431 -219.857 GPRESSURE: 4343800 -212.346 -67.8361 78.4122 -13.9534 266.919 -71.3909 144.006 25.623 -214.971 PRESSAVG: 4343800 -32.8608 -22.4025 -34.2907 -22.4024 71.5539 -20.7543 -34.2907 -20.7543 -12.0034 GPRESSAVG: 4343800 -32.985 -22.7358 -31.5239 -22.3955 73.2737 -21.316 -35.8792 -21.735 -13.2618 TIMING: 4343800 CPU: 13803.8, 0.00321176/step Wall: 13803.8, 0.00321176/step, 0.585432 hours remaining, 239.328125 MB of memory in use. ENERGY: 4343800 4047.2086 20644.9670 14395.7458 267.6707 -203221.6608 2478.0323 0.0000 0.0000 52134.5350 -109253.5015 299.6179 -161388.0366 -108897.1499 300.1710 -84.0204 -53.4657 762447.6905 8.8965 9.0089 PRESSURE: 4344000 -213.686 -10.6405 -30.2134 -10.6407 -247.224 -36.0288 -30.2125 -36.0286 -453.853 GPRESSURE: 4344000 -206.033 -93.7265 -52.7392 48.7543 -276.104 -90.8674 -48.8097 42.8957 -356.052 PRESSAVG: 4344000 -39.3893 -52.2981 16.3031 -52.2981 40.6567 15.3164 16.303 15.3164 9.13287 GPRESSAVG: 4344000 -38.7858 -52.3933 14.6577 -53.3474 39.7513 16.2951 16.6636 15.7432 9.68261 TIMING: 4344000 CPU: 13804.4, 0.00321298/step Wall: 13804.4, 0.00321298/step, 0.585477 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4344000 3987.6108 20498.5213 14409.0863 246.4657 -203563.8372 2636.7139 0.0000 0.0000 52234.5696 -109550.8696 300.1928 -161785.4392 -109184.3730 299.5538 -304.9210 -279.3967 761805.7354 3.4667 3.5494 PRESSURE: 4344200 -188.073 -155.441 -110.138 -155.442 -21.038 -197.356 -110.138 -197.356 -347.853 GPRESSURE: 4344200 -120.158 -91.8762 -73.474 -132.231 13.0831 -205.658 -250.867 -82.0515 -338.693 PRESSAVG: 4344200 0.681786 -32.2234 7.78176 -32.2235 14.1824 -34.5504 7.78177 -34.5503 3.16987 GPRESSAVG: 4344200 1.08979 -33.1766 6.468 -30.726 14.6378 -35.1439 8.31207 -35.3947 2.8032 TIMING: 4344200 CPU: 13805.1, 0.00321228/step Wall: 13805.1, 0.00321228/step, 0.585171 hours remaining, 239.328125 MB of memory in use. ENERGY: 4344200 3972.8234 20452.0676 14377.5292 258.5819 -203227.1990 2542.3413 0.0000 0.0000 51811.4379 -109812.4177 297.7610 -161623.8556 -109455.1436 298.8041 -185.6548 -148.5891 761145.6380 6.0114 6.1769 LDB: ============= START OF LOAD BALANCING ============== 13817.5 LDB: ============== END OF LOAD BALANCING =============== 13817.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13817.5 LDB: ============= START OF LOAD BALANCING ============== 13817.8 LDB: Largest compute 7067 load 0.035914 is 18.3% of average load 0.196095 LDB: Average compute 0.004383 is 2.2% of average load 0.196095 LDB: TIME 13817.8 LOAD: AVG 0.196095 MAX 0.216926 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 13817.8 LOAD: AVG 0.196095 MAX 0.216926 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: TIME 13817.8 LOAD: AVG 0.196095 MAX 0.216926 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.684 MB LDB: ============== END OF LOAD BALANCING =============== 13817.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13817.8 PRESSURE: 4344400 -47.2419 -359.599 184.847 -359.599 -204.366 95.2226 184.847 95.2218 -189.184 GPRESSURE: 4344400 -140.884 -237.824 192.854 -389.15 -143.345 86.0637 191.475 64.3345 -74.9084 PRESSAVG: 4344400 29.5165 -28.1147 52.2672 -28.1147 -16.9442 -9.90743 52.2672 -9.90745 -2.35625 GPRESSAVG: 4344400 28.6411 -26.3693 53.3735 -31.1134 -16.7021 -9.11306 51.3118 -9.87004 -1.79234 TIMING: 4344400 CPU: 13805.7, 0.00322582/step Wall: 13805.7, 0.00322582/step, 0.587457 hours remaining, 239.750000 MB of memory in use. ENERGY: 4344400 4004.1834 20417.8474 14349.0032 257.2159 -203196.1163 2293.6189 0.0000 0.0000 51833.2822 -110040.9652 297.8866 -161874.2474 -109670.5329 297.9164 -146.9307 -119.7122 760424.3180 3.4053 3.3822 PRESSURE: 4344600 50.0837 83.6151 93.7315 83.6151 -201.849 -300.918 93.7306 -300.917 226.505 GPRESSURE: 4344600 127.727 45.6273 29.3379 162.165 -148.168 -343.295 29.1346 -185.509 175.136 PRESSAVG: 4344600 -9.45561 -58.8039 8.86221 -58.8039 14.321 15.4309 8.86218 15.4309 39.4512 GPRESSAVG: 4344600 -8.40141 -60.1196 8.40512 -55.4011 14.8133 15.9233 11.004 16.4917 38.3902 TIMING: 4344600 CPU: 13806.3, 0.00319911/step Wall: 13806.3, 0.00319911/step, 0.582416 hours remaining, 239.820312 MB of memory in use. ENERGY: 4344600 4005.6698 20442.8404 14373.4817 265.6486 -203094.0587 2348.0411 0.0000 0.0000 51828.2696 -109830.1074 297.8578 -161658.3770 -109469.7908 298.2870 24.9132 51.5651 762570.8901 14.7722 14.9340 PRESSURE: 4344800 -232.932 -76.9461 61.0217 -76.9466 226.862 -73.0322 61.0213 -73.0316 276.712 GPRESSURE: 4344800 -157.124 -74.9042 103.571 34.6616 331.446 -125.555 -50.8093 67.2595 204.524 PRESSAVG: 4344800 -31.1127 -26.981 26.244 -26.981 -5.11153 -32.6889 26.2441 -32.6889 -10.605 GPRESSAVG: 4344800 -29.8998 -24.6949 26.6394 -30.3553 -6.71681 -33.9109 24.8922 -31.834 -9.49607 TIMING: 4344800 CPU: 13807, 0.00320813/step Wall: 13807, 0.00320812/step, 0.583879 hours remaining, 239.820312 MB of memory in use. ENERGY: 4344800 4021.1099 20267.7477 14378.9680 264.7968 -203236.4677 2556.1621 0.0000 0.0000 51944.9785 -109802.7046 298.5285 -161747.6831 -109435.7130 298.7262 90.2139 126.2822 761703.3643 -15.6098 -15.3709 PRESSURE: 4345000 274.379 -55.3101 -6.39106 -55.3108 82.481 221.588 -6.39139 221.588 45.5603 GPRESSURE: 4345000 265.233 -77.2082 88.2808 -137.191 129.619 261.468 41.654 173.573 94.4585 PRESSAVG: 4345000 19.0497 -16.0283 4.10343 -16.0283 8.90607 0.259714 4.10331 0.259671 -17.5527 GPRESSAVG: 4345000 18.3242 -16.8372 4.96796 -17.2379 10.2071 0.506922 3.98491 -2.19135 -17.3054 TIMING: 4345000 CPU: 13807.6, 0.00317417/step Wall: 13807.6, 0.00317417/step, 0.577522 hours remaining, 240.078125 MB of memory in use. ENERGY: 4345000 4072.1501 20582.5757 14389.5601 241.0977 -203958.1767 2730.2996 0.0000 0.0000 52059.5110 -109882.9825 299.1867 -161942.4935 -109523.0930 298.7465 134.1402 163.1036 759533.8658 3.4677 3.7420 PRESSURE: 4345200 18.3103 -45.5961 -85.2157 -45.5964 -32.2407 -238.937 -85.2164 -238.937 -245.184 GPRESSURE: 4345200 -59.423 9.64027 -216.665 -83.2956 56.5461 -279.688 -126.472 -274.961 -183.368 PRESSAVG: 4345200 -20.2361 -76.2214 -14.3394 -76.2214 48.5073 10.8704 -14.3394 10.8704 -11.0874 GPRESSAVG: 4345200 -20.0935 -74.8629 -14.7936 -74.004 48.4981 10.3817 -14.2832 10.3565 -11.8254 TIMING: 4345200 CPU: 13808.3, 0.00316782/step Wall: 13808.3, 0.00316782/step, 0.576191 hours remaining, 240.078125 MB of memory in use. ENERGY: 4345200 3969.5002 20573.5204 14459.4654 262.2179 -203599.5613 2717.7660 0.0000 0.0000 51941.9995 -109675.0919 298.5114 -161617.0914 -109312.9351 298.8615 -86.3714 -62.0816 761404.2717 5.7279 5.5264 PRESSURE: 4345400 324.233 -135.289 15.7408 -135.288 304.843 49.1115 15.7406 49.1113 291.486 GPRESSURE: 4345400 250.278 -67.7741 -43.5672 -198.631 398.513 -3.65502 -27.2127 84.309 334.179 PRESSAVG: 4345400 0.564778 -46.9775 -27.0001 -46.9775 -6.66931 -4.48601 -27.0001 -4.48602 -24.432 GPRESSAVG: 4345400 -0.198025 -49.0035 -26.6656 -46.681 -6.51935 -3.0253 -27.1517 -3.80895 -23.7369 TIMING: 4345400 CPU: 13808.9, 0.00315768/step Wall: 13808.9, 0.00315768/step, 0.574172 hours remaining, 240.078125 MB of memory in use. ENERGY: 4345400 4039.7579 20563.6257 14351.3982 253.2681 -204022.2623 2982.4199 0.0000 0.0000 52141.6694 -109690.1231 299.6589 -161831.7925 -109333.8710 299.2371 306.8539 327.6568 760535.5848 -10.1788 -10.1514 PRESSURE: 4345600 18.2129 76.7718 121.4 76.7723 -63.5608 76.478 121.4 76.4776 -413.491 GPRESSURE: 4345600 -5.17353 61.3357 169.349 22.6479 -41.8456 99.7966 89.5783 -78.6159 -297.576 PRESSAVG: 4345600 17.0791 -30.7855 -46.9949 -30.7855 -24.7449 2.89082 -46.995 2.89077 8.38006 GPRESSAVG: 4345600 17.7607 -29.4685 -47.1831 -33.0109 -25.0954 0.428359 -48.3067 3.83447 8.16114 TIMING: 4345600 CPU: 13809.5, 0.00317047/step Wall: 13809.5, 0.00317047/step, 0.57632 hours remaining, 240.078125 MB of memory in use. ENERGY: 4345600 4095.9628 20541.0431 14447.7620 269.4815 -203475.1395 2591.3166 0.0000 0.0000 51847.7729 -109681.8007 297.9699 -161529.5736 -109331.1918 299.4172 -152.9463 -114.8649 761546.1262 0.2381 0.2755 PRESSURE: 4345800 -169.234 -88.1438 7.1136 -88.143 -325.711 182.661 7.11329 182.662 -123.471 GPRESSURE: 4345800 -82.7451 -143.028 -19.1466 -51.9261 -325.573 134.038 142.951 181.346 -119.966 PRESSAVG: 4345800 43.6363 -11.4497 -49.0503 -11.4497 -22.2706 42.4876 -49.0503 42.4876 7.62653 GPRESSAVG: 4345800 44.195 -13.819 -49.1254 -8.889 -22.6381 44.2647 -47.5633 41.075 7.12796 TIMING: 4345800 CPU: 13810.2, 0.0031764/step Wall: 13810.2, 0.0031764/step, 0.577222 hours remaining, 240.339844 MB of memory in use. ENERGY: 4345800 4036.3511 20547.3636 14406.5543 239.4685 -203523.2335 2401.3926 0.0000 0.0000 52150.6763 -109741.4271 299.7107 -161892.1033 -109371.3485 299.1736 -206.1384 -176.0947 762120.1152 9.6641 9.5616 PRESSURE: 4346000 204.201 104.791 -136.049 104.791 53.869 -123.015 -136.05 -123.015 -250.679 GPRESSURE: 4346000 241.608 66.3971 -124.419 160.48 32.6922 -125.801 -84.9991 -40.2007 -187.737 PRESSAVG: 4346000 58.7686 19.7302 -39.6667 19.7302 -78.4443 -13.2314 -39.6667 -13.2314 7.26616 GPRESSAVG: 4346000 59.6997 22.3239 -40.85 16.8834 -79.9596 -14.3844 -39.3553 -12.5345 8.10551 TIMING: 4346000 CPU: 13810.8, 0.00317258/step Wall: 13810.8, 0.00317258/step, 0.576352 hours remaining, 240.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4346000 4065.6343 20627.6837 14482.8524 242.3557 -203588.4708 2480.5870 0.0000 0.0000 51886.5959 -109802.7617 298.1930 -161689.3576 -109439.6563 298.8559 2.4634 28.8543 760429.4390 -4.1365 -4.0515 PRESSURE: 4346200 -45.6197 165.529 -134.607 165.529 -289.977 -17.3301 -134.607 -17.3298 -204.702 GPRESSURE: 4346200 74.2941 121.022 -84.7474 -5.35449 -260.011 -128.651 -188.165 76.9196 -290.01 PRESSAVG: 4346200 36.2411 5.12956 23.4958 5.12959 -40.0634 16.4749 23.4958 16.4748 -17.9337 GPRESSAVG: 4346200 35.4241 3.54254 24.0545 6.99916 -38.4627 17.0332 24.819 17.0046 -19.0274 TIMING: 4346200 CPU: 13811.4, 0.00316998/step Wall: 13811.4, 0.00316998/step, 0.575704 hours remaining, 240.339844 MB of memory in use. ENERGY: 4346200 4015.6088 20507.1711 14381.3246 239.8419 -204203.3801 3039.3622 0.0000 0.0000 52011.9408 -110008.1307 298.9133 -162020.0715 -109638.4458 299.1194 -180.0996 -158.5757 761101.5210 -7.2520 -7.3553 PRESSURE: 4346400 191.717 45.7319 232.986 45.7316 -190.524 132.57 232.987 132.571 180.868 GPRESSURE: 4346400 269.668 -73.709 190.584 31.6557 -132.54 72.3815 139.486 190.204 140.26 PRESSAVG: 4346400 15.1812 7.56596 22.1102 7.56601 17.6099 49.3867 22.1102 49.3867 -13.2626 GPRESSAVG: 4346400 14.8603 8.86183 22.3989 6.19206 17.1415 49.9185 21.2484 48.0245 -12.9277 TIMING: 4346400 CPU: 13812.1, 0.00316331/step Wall: 13812.1, 0.00316331/step, 0.574316 hours remaining, 240.339844 MB of memory in use. ENERGY: 4346400 4039.7054 20470.1054 14395.0656 246.0317 -203716.5356 2485.7720 0.0000 0.0000 52076.3194 -110003.5362 299.2833 -162079.8556 -109653.8691 298.5773 60.6870 92.4624 759284.3018 6.5095 6.3580 PRESSURE: 4346600 151.762 53.7344 -23.1639 53.734 290.131 41.8654 -23.1638 41.8657 37.4601 GPRESSURE: 4346600 200.324 38.6708 -46.6983 82.4895 315.718 63.94 -127.542 25.1991 53.188 PRESSAVG: 4346600 -19.6183 -18.9021 39.2705 -18.9021 23.5544 30.2401 39.2705 30.2402 1.61302 GPRESSAVG: 4346600 -19.9968 -17.9844 40.5668 -15.9759 23.9164 29.6546 38.4756 30.7544 1.5312 TIMING: 4346600 CPU: 13812.7, 0.00319907/step Wall: 13812.7, 0.00319907/step, 0.580631 hours remaining, 240.339844 MB of memory in use. ENERGY: 4346600 3924.8501 20414.7587 14327.3940 253.1154 -204161.6114 2977.2732 0.0000 0.0000 52119.2195 -110145.0005 299.5299 -162264.2200 -109779.9295 298.5834 159.7843 189.7435 759693.9646 1.8497 1.8169 PRESSURE: 4346800 -122.497 -41.3535 19.7673 -41.3538 114.271 -125.492 19.768 -125.492 139.158 GPRESSURE: 4346800 -37.5758 7.46148 48.225 -6.36685 104.556 -107.711 112.094 -39.8761 134.436 PRESSAVG: 4346800 -11.9564 -10.2183 -61.5309 -10.2183 22.4256 14.38 -61.5309 14.38 -3.9209 GPRESSAVG: 4346800 -11.3855 -10.8868 -62.9368 -11.7802 22.5292 13.6793 -60.1028 15.3473 -4.88659 TIMING: 4346800 CPU: 13813.3, 0.00317735/step Wall: 13813.3, 0.00317735/step, 0.576513 hours remaining, 240.339844 MB of memory in use. ENERGY: 4346800 4032.1789 20476.5180 14473.4408 261.7077 -203908.8501 2864.2704 0.0000 0.0000 51683.5205 -110117.2139 297.0259 -161800.7344 -109750.9096 298.2958 43.6438 67.1386 760543.2597 2.1828 2.0857 PRESSURE: 4347000 -357.433 183.007 -82.7521 183.008 -338.822 -295.929 -82.7526 -295.93 -6.99106 GPRESSURE: 4347000 -306.111 67.3079 -166.931 62.6139 -299.294 -282.914 83.4093 -363.252 -9.10449 PRESSAVG: 4347000 66.2646 -24.8097 -17.197 -24.8097 -69.705 18.7972 -17.197 18.7972 -14.065 GPRESSAVG: 4347000 65.6821 -25.7559 -15.7758 -24.4017 -69.6034 20.6571 -18.4635 18.2348 -13.8166 TIMING: 4347000 CPU: 13814, 0.00315122/step Wall: 13814, 0.00315122/step, 0.571596 hours remaining, 240.339844 MB of memory in use. ENERGY: 4347000 4026.9285 20486.0472 14399.7485 244.7852 -203183.4097 2549.5889 0.0000 0.0000 51450.0836 -110026.2278 295.6843 -161476.3114 -109672.3511 298.3986 -234.4154 -204.8364 762182.8159 -5.8351 -5.9126 PRESSURE: 4347200 -177.572 -112.494 -138.866 -112.495 -129.863 1.20239 -138.866 1.20156 -124.012 GPRESSURE: 4347200 -141.097 -78.6413 -226.277 -88.6043 6.7149 -31.2247 -111.035 -22.6076 -213.622 PRESSAVG: 4347200 40.9065 -34.7907 18.556 -34.7907 -31.637 34.689 18.5559 34.6889 -0.0768599 GPRESSAVG: 4347200 42.5708 -35.2136 18.2806 -34.0009 -31.737 34.067 19.7903 33.8129 -0.6403 TIMING: 4347200 CPU: 13814.6, 0.0031527/step Wall: 13814.6, 0.0031527/step, 0.57169 hours remaining, 240.339844 MB of memory in use. ENERGY: 4347200 4003.5492 20475.6692 14403.8684 243.1500 -203539.1769 2494.2615 0.0000 0.0000 52019.9464 -109898.7322 298.9593 -161918.6786 -109546.0088 298.3247 -143.8159 -116.0016 761185.2453 3.0642 3.3978 PRESSURE: 4347400 -205.716 18.9277 1.61146 18.9272 -236.672 108.67 1.61141 108.671 -77.076 GPRESSURE: 4347400 -57.184 58.5807 5.2427 -58.3415 -268.817 79.3659 -51.0528 200.697 -96.9007 PRESSAVG: 4347400 108.121 9.27312 37.5825 9.2731 -58.6079 81.583 37.5826 81.5829 1.58846 GPRESSAVG: 4347400 107.821 10.5862 36.2447 7.8538 -59.2384 80.6509 34.9306 83.2615 2.37982 TIMING: 4347400 CPU: 13815.2, 0.00315936/step Wall: 13815.2, 0.00315936/step, 0.572721 hours remaining, 240.339844 MB of memory in use. ENERGY: 4347400 3943.1348 20399.0369 14453.7218 247.5973 -203533.3677 2729.5137 0.0000 0.0000 51913.5838 -109846.7794 298.3481 -161760.3632 -109493.1269 298.6414 -173.1546 -140.9673 762379.9684 17.0340 16.9874 PRESSURE: 4347600 92.7321 20.2979 -19.7072 20.2981 -124.017 80.9667 -19.7081 80.9664 286.767 GPRESSURE: 4347600 174.336 -45.1625 -1.18824 -63.872 -93.9725 65.0639 -114.577 36.2768 259.42 PRESSAVG: 4347600 68.4686 10.7303 29.1912 10.7303 -79.2075 -7.58773 29.1913 -7.58777 0.212936 GPRESSAVG: 4347600 69.1795 10.8835 28.1185 11.5263 -78.8793 -7.79204 30.5658 -7.93825 -0.933068 TIMING: 4347600 CPU: 13815.9, 0.00317165/step Wall: 13815.9, 0.00317165/step, 0.574773 hours remaining, 240.339844 MB of memory in use. ENERGY: 4347600 4021.7036 20451.5378 14410.7042 233.3857 -203972.5756 2966.9192 0.0000 0.0000 52157.8502 -109730.4751 299.7519 -161888.3252 -109361.6617 298.4129 85.1608 113.2612 761136.2499 -3.5086 -3.5443 PRESSURE: 4347800 118.322 -363.027 -87.4242 -363.029 180.076 -174.68 -87.4238 -174.68 248.943 GPRESSURE: 4347800 111.094 -275.648 -8.28688 -376.549 236.347 -189.86 -130.075 -35.5941 241.694 PRESSAVG: 4347800 96.4131 -39.9465 -44.8348 -39.9464 -63.2577 -13.9753 -44.8347 -13.9752 -4.41891 GPRESSAVG: 4347800 95.7563 -38.1753 -42.6343 -41.4193 -62.9235 -13.4041 -44.6589 -14.6041 -4.14596 TIMING: 4347800 CPU: 13816.5, 0.00314469/step Wall: 13816.5, 0.00314469/step, 0.569713 hours remaining, 240.339844 MB of memory in use. ENERGY: 4347800 3962.0369 20450.6899 14411.2258 242.0036 -204006.9091 2939.2926 0.0000 0.0000 52105.6231 -109896.0372 299.4517 -162001.6603 -109532.2626 298.7139 182.4469 196.3781 760927.1892 9.5788 9.5623 PRESSURE: 4348000 -315.153 -2.00872 205.652 -2.00741 -110.099 11.9792 205.651 11.9789 327.997 GPRESSURE: 4348000 -232.012 39.0491 98.1578 -76.8742 -90.0629 -9.74478 96.8844 117.043 318.673 PRESSAVG: 4348000 53.9771 -0.978313 -18.4311 -0.978318 -29.6762 -42.8348 -18.4311 -42.8348 5.38591 GPRESSAVG: 4348000 54.4405 -3.14046 -18.4667 0.0132436 -30.1767 -43.565 -17.7103 -42.2004 5.8505 TIMING: 4348000 CPU: 13817.1, 0.00314171/step Wall: 13817.1, 0.00314171/step, 0.568999 hours remaining, 240.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4348000 3986.8079 20545.4746 14423.5575 247.4029 -203698.7092 2732.2993 0.0000 0.0000 51808.8845 -109954.2825 297.7464 -161763.1670 -109601.4018 298.3445 -32.4185 -1.1339 761014.2290 9.8956 10.0381 PRESSURE: 4348200 -156.536 205.409 -87.7058 205.409 -551.377 52.6936 -87.7061 52.6936 -176.249 GPRESSURE: 4348200 -97.7278 69.7219 -130.11 144.925 -485.171 80.2909 -20.7689 -70.6429 -223.887 PRESSAVG: 4348200 -16.6957 24.6208 -67.2563 24.6208 31.164 16.7329 -67.2564 16.7328 3.31741 GPRESSAVG: 4348200 -17.3574 24.2835 -68.1694 23.8462 31.7647 17.5906 -68.8359 16.2844 3.05769 TIMING: 4348200 CPU: 13817.7, 0.00314893/step Wall: 13817.7, 0.00314893/step, 0.570131 hours remaining, 240.339844 MB of memory in use. ENERGY: 4348200 3901.5229 20502.9924 14470.5226 246.2664 -203392.6630 2419.7379 0.0000 0.0000 52056.3645 -109795.2563 299.1686 -161851.6208 -109432.9221 299.0308 -294.7209 -268.9288 760622.5299 5.9285 5.8217 LDB: ============= START OF LOAD BALANCING ============== 13830.1 LDB: ============== END OF LOAD BALANCING =============== 13830.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13830.1 LDB: ============= START OF LOAD BALANCING ============== 13830.5 LDB: Largest compute 7067 load 0.035517 is 18.1% of average load 0.196029 LDB: Average compute 0.004388 is 2.2% of average load 0.196029 LDB: TIME 13830.5 LOAD: AVG 0.196029 MAX 0.216321 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 13830.5 LOAD: AVG 0.196029 MAX 0.216321 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 13830.5 LOAD: AVG 0.196029 MAX 0.216321 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 13830.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13830.5 PRESSURE: 4348400 -13.6854 -150.736 160.548 -150.736 50.8132 -14.8255 160.548 -14.8262 295.071 GPRESSURE: 4348400 53.2139 -86.4306 179.645 -115.37 2.58932 18.5917 144.515 21.2115 377 PRESSAVG: 4348400 -19.9068 -0.221126 11.6927 -0.221062 26.3413 -32.0684 11.6926 -32.0684 3.89725 GPRESSAVG: 4348400 -21.2816 -0.794418 13.3198 1.91255 26.6669 -32.0985 14.5078 -30.2398 4.46347 TIMING: 4348400 CPU: 13818.4, 0.0031951/step Wall: 13818.4, 0.0031951/step, 0.578312 hours remaining, 238.867188 MB of memory in use. ENERGY: 4348400 3981.5969 20419.9139 14427.4134 265.9910 -203688.4961 2845.8313 0.0000 0.0000 52138.2297 -109609.5199 299.6391 -161747.7497 -109246.2665 298.9187 110.7330 144.2677 760451.1393 3.4439 3.2829 PRESSURE: 4348600 -358.274 9.64004 -193.618 9.64035 34.0401 92.7133 -193.617 92.7129 -14.9456 GPRESSURE: 4348600 -337.859 -23.9622 -262.321 51.8126 170.741 66.3733 -127.098 112.08 -63.8705 PRESSAVG: 4348600 57.296 -27.4572 14.3393 -27.4572 -48.9486 36.5045 14.3393 36.5045 -8.1196 GPRESSAVG: 4348600 59.4816 -24.9411 14.495 -29.4196 -50.7547 36.0256 12.4909 35.9327 -8.14751 TIMING: 4348600 CPU: 13819, 0.00313761/step Wall: 13819, 0.00313761/step, 0.567733 hours remaining, 239.070312 MB of memory in use. ENERGY: 4348600 3967.1483 20416.4611 14401.9562 255.6858 -203709.2107 2771.9425 0.0000 0.0000 52269.1750 -109626.8417 300.3917 -161896.0167 -109255.2363 299.2943 -113.0600 -76.9962 760542.0267 0.0760 0.1931 PRESSURE: 4348800 83.1101 -21.2113 140.309 -21.2113 366.573 -148.157 140.31 -148.158 321.106 GPRESSURE: 4348800 214.376 2.9407 155.879 -18.4664 391.837 -115.862 2.97803 -66.5818 272.542 PRESSAVG: 4348800 18.6055 -15.3112 -14.7251 -15.3112 -30.4895 -18.8347 -14.7251 -18.8347 12.0855 GPRESSAVG: 4348800 19.5767 -17.3547 -15.0041 -13.8747 -30.9117 -18.696 -15.9913 -17.5074 11.4476 TIMING: 4348800 CPU: 13819.7, 0.00318389/step Wall: 13819.7, 0.0031839/step, 0.575931 hours remaining, 239.070312 MB of memory in use. ENERGY: 4348800 3985.4436 20444.3501 14417.9647 255.4788 -204087.4325 3058.2134 0.0000 0.0000 52309.9622 -109616.0197 300.6261 -161925.9819 -109249.4792 299.2504 256.9297 292.9185 759447.5809 0.0672 0.0376 PRESSURE: 4349000 180.982 12.0629 -58.7646 12.0632 -159.716 30.7844 -58.7636 30.7838 135.056 GPRESSURE: 4349000 188.209 -42.785 -60.2245 -82.5367 -40.3336 54.2666 -63.742 -0.689076 108.254 PRESSAVG: 4349000 32.621 -4.42476 -12.8502 -4.42473 -7.56518 4.9265 -12.8502 4.92643 11.9866 GPRESSAVG: 4349000 30.34 -4.56869 -13.111 -6.24045 -6.82119 5.75581 -11.7316 3.54044 13.1654 TIMING: 4349000 CPU: 13820.3, 0.00315941/step Wall: 13820.3, 0.00315941/step, 0.571327 hours remaining, 239.070312 MB of memory in use. ENERGY: 4349000 4006.0022 20623.1541 14437.5805 259.6059 -203348.1074 2613.8697 0.0000 0.0000 51906.1511 -109501.7439 298.3054 -161407.8950 -109149.6424 299.1374 52.1075 85.3763 760394.4695 12.3475 12.2281 PRESSURE: 4349200 -26.0315 -388.82 53.8359 -388.821 -317.72 -47.3851 53.8359 -47.3842 -195.368 GPRESSURE: 4349200 -16.7248 -325.865 -29.9749 -337.588 -231.082 37.4663 45.8667 92.2468 -199.592 PRESSAVG: 4349200 39.3251 -60.2702 -33.3535 -60.2701 -24.7425 24.8559 -33.3535 24.856 -15.0177 GPRESSAVG: 4349200 38.981 -57.473 -34.6884 -57.6067 -23.6862 24.2091 -32.086 24.5065 -15.6868 TIMING: 4349200 CPU: 13820.9, 0.00317619/step Wall: 13820.9, 0.00317619/step, 0.574184 hours remaining, 239.070312 MB of memory in use. ENERGY: 4349200 3958.8565 20403.8606 14464.7268 244.4662 -203178.0376 2307.4036 0.0000 0.0000 52257.7290 -109540.9950 300.3259 -161798.7240 -109173.1613 298.9941 -179.7062 -149.1328 760957.6204 -0.1450 -0.1307 PRESSURE: 4349400 -75.6789 41.0445 -69.9605 41.0453 -161.853 -80.3375 -69.9606 -80.3368 -2.63942 GPRESSURE: 4349400 -15.2714 105.778 -99.2972 23.8448 -188.007 -201.963 -7.65171 -136.597 54.3613 PRESSAVG: 4349400 -38.3852 -93.4297 -64.4525 -93.4297 -5.25705 -29.9737 -64.4526 -29.9737 12.5013 GPRESSAVG: 4349400 -37.5861 -94.435 -63.9677 -93.2757 -6.77207 -29.0799 -64.4857 -28.6716 12.9061 TIMING: 4349400 CPU: 13821.6, 0.00316035/step Wall: 13821.6, 0.00316034/step, 0.571145 hours remaining, 239.070312 MB of memory in use. ENERGY: 4349400 3863.2615 20439.8714 14393.1591 248.1045 -202939.4552 2290.5338 0.0000 0.0000 51867.6401 -109836.8847 298.0840 -161704.5248 -109468.0267 299.0063 -80.0571 -49.6389 762380.0940 -10.3803 -10.4840 PRESSURE: 4349600 191.2 7.23171 -53.9598 7.23123 214.569 52.1277 -53.9601 52.1276 241.641 GPRESSURE: 4349600 162.176 63.3408 -92.3153 -40.0342 294.225 74.0501 8.47814 16.3361 251.919 PRESSAVG: 4349600 39.7234 -95.2532 -20.1109 -95.2532 -86.3733 -61.7308 -20.1108 -61.7308 7.88516 GPRESSAVG: 4349600 39.2316 -94.9548 -17.7718 -98.331 -85.943 -62.7748 -21.2557 -62.7211 7.85737 TIMING: 4349600 CPU: 13822.2, 0.00318321/step Wall: 13822.2, 0.00318321/step, 0.575101 hours remaining, 239.070312 MB of memory in use. ENERGY: 4349600 3939.0180 20353.1065 14351.2937 237.8933 -203239.0104 2593.5125 0.0000 0.0000 52009.9791 -109754.2074 298.9021 -161764.1865 -109395.9819 298.5950 215.8035 236.1063 762451.2452 -12.9216 -12.9513 PRESSURE: 4349800 -279.676 -66.7301 -133.75 -66.7299 -88.5744 -258.151 -133.749 -258.15 12.9001 GPRESSURE: 4349800 -136.662 23.0496 -124.489 -99.5208 -96.3866 -234.881 -88.6419 -256.533 -60.1266 PRESSAVG: 4349800 42.7121 -20.7533 27.4364 -20.7533 -39.6974 -15.7424 27.4364 -15.7424 8.47774 GPRESSAVG: 4349800 43.1631 -20.6402 25.3142 -21.0676 -39.8762 -14.0268 29.3466 -17.0618 8.70633 TIMING: 4349800 CPU: 13822.8, 0.0031924/step Wall: 13822.8, 0.0031924/step, 0.576584 hours remaining, 239.070312 MB of memory in use. ENERGY: 4349800 3989.6371 20356.6821 14404.2043 239.0230 -202761.3966 2338.2307 0.0000 0.0000 51817.7036 -109615.9159 297.7971 -161433.6195 -109261.8701 298.8375 -118.4502 -97.7252 760995.5037 3.8308 3.9978 PRESSURE: 4350000 114.229 -120.824 102.067 -120.824 23.1449 10.5363 102.068 10.536 -188.578 GPRESSURE: 4350000 55.3832 -37.5645 70.0526 -139.112 150.728 62.7098 -18.1077 20.5888 -186.1 PRESSAVG: 4350000 13.6847 -47.1018 9.59667 -47.1019 25.8213 0.988955 9.59666 0.988984 5.93567 GPRESSAVG: 4350000 13.6687 -48.7479 10.7591 -44.9152 25.426 -0.392725 6.14738 2.59957 5.60058 TIMING: 4350000 CPU: 13823.5, 0.00320718/step Wall: 13823.5, 0.00320717/step, 0.579073 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4350000 3960.1124 20549.7687 14446.1062 251.7834 -203280.1214 2602.2530 0.0000 0.0000 52182.3984 -109287.6993 299.8930 -161470.0977 -108934.7604 298.9187 -17.0681 6.6702 761781.1130 15.1472 14.8984 PRESSURE: 4350200 -12.6609 -47.4386 203.287 -47.4386 -98.1077 114.753 203.287 114.753 -206.662 GPRESSURE: 4350200 -3.11461 -5.67078 178.581 29.9844 0.782509 122.194 53.3777 84.1942 -225.629 PRESSAVG: 4350200 -47.9188 21.9701 31.4867 21.97 13.9153 1.104 31.4867 1.10398 -30.1493 GPRESSAVG: 4350200 -47.4628 23.6676 30.0635 21.2463 13.7634 1.6294 31.8367 -0.661094 -30.7194 TIMING: 4350200 CPU: 13824.1, 0.00317687/step Wall: 13824.1, 0.00317688/step, 0.573426 hours remaining, 239.070312 MB of memory in use. ENERGY: 4350200 3976.4116 20484.5905 14413.2186 247.8701 -203638.7671 2817.6224 0.0000 0.0000 52234.4794 -109464.5744 300.1923 -161699.0538 -109099.4584 299.1608 -105.8101 -75.9869 762571.0303 -21.3843 -21.4729 PRESSURE: 4350400 -26.2037 -5.17393 169.132 -5.17406 -270.474 -297.177 169.132 -297.177 -88.4583 GPRESSURE: 4350400 -11.2188 59.0429 94.4282 45.371 -283.4 -229.897 240.638 -278.83 -18.4594 PRESSAVG: 4350400 32.6697 -11.3492 31.5731 -11.3493 -6.74754 0.883578 31.5731 0.883573 1.06726 GPRESSAVG: 4350400 30.6251 -12.5406 33.068 -9.66003 -5.40824 0.172718 30.3688 2.97512 1.73571 TIMING: 4350400 CPU: 13824.7, 0.00317632/step Wall: 13824.7, 0.00317632/step, 0.573149 hours remaining, 239.070312 MB of memory in use. ENERGY: 4350400 3963.3518 20550.0876 14383.6356 246.7802 -203199.1915 2549.1092 0.0000 0.0000 52003.7840 -109502.4432 298.8665 -161506.2272 -109139.2921 299.0940 -128.3787 -104.3595 762118.4762 8.9965 8.9842 PRESSURE: 4350600 152.789 33.8381 21.7893 33.8386 203.671 7.39376 21.789 7.39299 -245.283 GPRESSURE: 4350600 131.961 25.465 15.5123 93.8176 324.467 54.2078 -54.6309 19.9047 -267.505 PRESSAVG: 4350600 -5.17814 -10.391 7.0907 -10.391 -18.9283 31.1638 7.09069 31.1638 27.9191 GPRESSAVG: 4350600 -5.03223 -10.8164 5.67363 -11.531 -19.3512 31.3402 11.0339 30.9272 28.1724 TIMING: 4350600 CPU: 13825.4, 0.0032137/step Wall: 13825.4, 0.0032137/step, 0.579716 hours remaining, 239.070312 MB of memory in use. ENERGY: 4350600 4001.9950 20502.1225 14448.7780 249.5938 -203125.5195 2578.1845 0.0000 0.0000 52033.9321 -109310.9136 299.0397 -161344.8457 -108945.7504 299.4814 37.0590 62.9743 763197.6741 1.2709 1.2630 PRESSURE: 4350800 119.392 95.2076 -4.71856 95.2071 -446.463 -160.064 -4.71842 -160.064 19.9773 GPRESSURE: 4350800 88.3502 98.0972 -21.6351 200.587 -369.32 -178.596 28.5127 -67.3833 42.7307 PRESSAVG: 4350800 23.0281 -28.3462 -20.9665 -28.3462 -34.5061 46.6405 -20.9665 46.6405 -12.2124 GPRESSAVG: 4350800 24.761 -27.2447 -19.7762 -27.0255 -35.0349 45.9782 -22.5999 47.1755 -13.526 TIMING: 4350800 CPU: 13826, 0.00319923/step Wall: 13826, 0.00319923/step, 0.576928 hours remaining, 239.070312 MB of memory in use. ENERGY: 4350800 3999.5151 20608.9253 14477.2775 264.0285 -203018.0797 2481.0622 0.0000 0.0000 52259.4478 -108927.8233 300.3358 -161187.2711 -108566.3774 300.0801 -102.3644 -79.4129 762708.1623 -7.8968 -7.9333 PRESSURE: 4351000 112.828 -219.418 105.875 -219.419 97.8556 -43.2672 105.875 -43.2667 9.53039 GPRESSURE: 4351000 181.218 -46.5085 73.7669 -231.094 137.226 -105.964 82.6658 -42.2217 -12.8113 PRESSAVG: 4351000 25.8909 4.40819 33.1171 4.40815 20.0242 43.8277 33.1171 43.8278 14.4851 GPRESSAVG: 4351000 24.2575 4.04719 33.7494 3.58495 21.1383 44.845 30.8831 42.3153 14.9285 TIMING: 4351000 CPU: 13826.7, 0.00316022/step Wall: 13826.7, 0.00316022/step, 0.569718 hours remaining, 239.070312 MB of memory in use. ENERGY: 4351000 4057.4135 20670.4967 14448.2982 261.5821 -202921.4346 2468.5538 0.0000 0.0000 52206.1831 -108808.9072 300.0297 -161015.0903 -108451.6087 300.7974 73.4048 101.8776 762429.4920 20.1334 20.1081 PRESSURE: 4351200 -304.479 24.4903 -212.185 24.4902 -22.285 131.945 -212.186 131.944 19.3119 GPRESSURE: 4351200 -198.541 -73.7258 -223.735 20.5762 -77.9537 138.324 -21.1067 46.6534 54.3765 PRESSAVG: 4351200 -70.2248 -52.3888 -2.71787 -52.3888 82.0729 28.6349 -2.71784 28.6349 -9.8565 GPRESSAVG: 4351200 -69.377 -53.8911 -4.51174 -52.7467 80.7553 28.6222 0.286416 26.4658 -9.53636 TIMING: 4351200 CPU: 13827.3, 0.00318515/step Wall: 13827.3, 0.00318516/step, 0.574036 hours remaining, 239.070312 MB of memory in use. ENERGY: 4351200 3939.5944 20631.8195 14449.9747 241.5164 -202854.5152 2408.8017 0.0000 0.0000 52329.7315 -108853.0770 300.7397 -161182.8085 -108493.1908 300.7135 -102.4841 -74.0395 761890.4274 0.6639 0.6140 PRESSURE: 4351400 166.098 -266.049 -154.273 -266.049 68.1979 -80.3047 -154.273 -80.3042 184.021 GPRESSURE: 4351400 266.194 -150.598 -115.277 -213.838 86.1679 -123.088 -47.4926 -55.8913 139.865 PRESSAVG: 4351400 37.3278 18.2301 16.8679 18.2301 3.4473 11.0669 16.8678 11.0669 23.0131 GPRESSAVG: 4351400 36.7429 19.5012 16.6666 17.3085 4.57443 11.0925 17.0411 12.7931 22.1909 TIMING: 4351400 CPU: 13827.9, 0.00319606/step Wall: 13827.9, 0.00319606/step, 0.575823 hours remaining, 239.070312 MB of memory in use. ENERGY: 4351400 3946.2226 20538.6075 14474.8428 247.1171 -203040.3997 2722.9689 0.0000 0.0000 52105.3737 -109005.2670 299.4503 -161110.6408 -108637.7141 300.9594 139.4389 164.0757 762608.9378 21.2627 21.1694 PRESSURE: 4351600 -343.744 -270.536 35.0512 -270.535 -515.908 -90.7808 35.0511 -90.7801 -24.47 GPRESSURE: 4351600 -261.017 -204.028 28.5968 -220.939 -492.226 -67.1923 -26.5665 -94.212 -40.374 PRESSAVG: 4351600 -45.7506 -65.7768 -2.95309 -65.7767 4.16146 -8.36006 -2.95315 -8.36012 -20.1393 GPRESSAVG: 4351600 -45.6431 -63.2347 -2.04424 -64.0817 4.80664 -8.14759 -3.90762 -6.51311 -20.7476 TIMING: 4351600 CPU: 13828.6, 0.00320403/step Wall: 13828.6, 0.00320403/step, 0.577081 hours remaining, 239.070312 MB of memory in use. ENERGY: 4351600 3965.5716 20363.0316 14458.6555 271.0086 -202842.9106 2321.5134 0.0000 0.0000 52471.3622 -108991.7676 301.5536 -161463.1299 -108616.4003 300.1755 -294.7072 -264.5391 762302.9708 -20.5762 -20.5280 PRESSURE: 4351800 -22.3368 92.6152 144.61 92.6148 122.909 -111.734 144.611 -111.734 429.996 GPRESSURE: 4351800 -13.8495 138.261 149.876 128.429 159.286 -125.627 149.328 -57.905 446.301 PRESSAVG: 4351800 26.8367 -9.20877 -8.40968 -9.20873 -46.9988 22.411 -8.4097 22.4109 15.636 GPRESSAVG: 4351800 25.6913 -10.9253 -9.00227 -7.96312 -47.7234 21.708 -5.8073 21.2244 17.5564 TIMING: 4351800 CPU: 13829.2, 0.00315915/step Wall: 13829.2, 0.00315915/step, 0.568822 hours remaining, 239.070312 MB of memory in use. ENERGY: 4351800 3955.7832 20522.4279 14491.2526 258.5502 -203205.8122 2706.7112 0.0000 0.0000 52053.4926 -109217.5945 299.1521 -161271.0871 -108851.8962 300.4856 176.8559 197.2457 761193.3464 -1.5087 -1.4919 PRESSURE: 4352000 115.584 -88.0977 -43.3548 -88.0982 -369.629 172.095 -43.3549 172.096 -117.801 GPRESSURE: 4352000 219.146 -39.1267 -59.3774 -98.8604 -326.016 187.78 -2.86236 127.839 -154.744 PRESSAVG: 4352000 -6.60355 -29.4159 -8.61954 -29.4158 49.6953 9.60103 -8.61955 9.60106 -5.45446 GPRESSAVG: 4352000 -6.37209 -29.2189 -7.54789 -30.4471 50.0439 9.81064 -10.6742 12.798 -5.91338 TIMING: 4352000 CPU: 13829.8, 0.00313612/step Wall: 13829.8, 0.00313612/step, 0.564502 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4352000 4085.4392 20529.8567 14521.6728 243.0102 -203089.4634 2325.9389 0.0000 0.0000 52227.8190 -109155.7266 300.1540 -161383.5456 -108789.1018 300.0498 -123.9483 -87.2048 761615.7835 12.5458 12.5862 PRESSURE: 4352200 -392.624 -79.5352 -13.3897 -79.5354 159.546 24.2809 -13.3895 24.2812 310.91 GPRESSURE: 4352200 -268.996 -91.0389 -14.987 -224.977 133.715 62.2204 -4.4063 -86.1327 314.45 PRESSAVG: 4352200 -4.35968 5.15259 8.46122 5.15256 -4.22666 37.8692 8.46116 37.8692 -11.5167 GPRESSAVG: 4352200 -3.98596 6.39257 7.62963 4.88986 -4.85216 38.1355 10.4717 34.3125 -11.283 TIMING: 4352200 CPU: 13830.5, 0.00316809/step Wall: 13830.5, 0.00316809/step, 0.57008 hours remaining, 239.070312 MB of memory in use. ENERGY: 4352200 3916.8643 20501.6889 14469.5698 223.7685 -203327.5797 2847.8624 0.0000 0.0000 52175.9481 -109191.8777 299.8559 -161367.8257 -108821.9800 300.5301 25.9440 59.7230 759627.1493 -6.7010 -6.7070 LDB: ============= START OF LOAD BALANCING ============== 13842.9 LDB: ============== END OF LOAD BALANCING =============== 13842.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13842.9 LDB: ============= START OF LOAD BALANCING ============== 13843.2 LDB: Largest compute 7075 load 0.033627 is 17.1% of average load 0.196114 LDB: Average compute 0.004375 is 2.2% of average load 0.196114 LDB: TIME 13843.2 LOAD: AVG 0.196114 MAX 0.215324 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 13843.2 LOAD: AVG 0.196114 MAX 0.215324 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 13843.2 LOAD: AVG 0.196114 MAX 0.215324 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 13843.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13843.2 PRESSURE: 4352400 -52.6234 -58.6861 -102.007 -58.6869 -69.6536 -104.89 -102.007 -104.891 -86.1873 GPRESSURE: 4352400 15.9811 20.4947 62.1162 -52.6904 -99.1605 -28.2675 -122.35 -195.451 -61.0984 PRESSAVG: 4352400 -40.254 -36.8488 -21.3164 -36.8488 29.8533 -17.4682 -21.3164 -17.4682 25.6867 GPRESSAVG: 4352400 -39.5769 -38.0743 -21.204 -35.4689 29.268 -15.6747 -22.4578 -18.3289 26.1391 TIMING: 4352400 CPU: 13831.1, 0.00324527/step Wall: 13831.1, 0.00324527/step, 0.583787 hours remaining, 238.867188 MB of memory in use. ENERGY: 4352400 3981.9697 20721.9278 14516.1162 243.2708 -203191.1251 2394.6188 0.0000 0.0000 52059.6096 -109273.6122 299.1873 -161333.2218 -108914.7097 299.8805 -69.4881 -48.0926 761160.6384 5.0953 5.2767 PRESSURE: 4352600 -347.464 -31.3783 -51.3939 -31.3783 93.9235 35.3248 -51.3947 35.3244 145.224 GPRESSURE: 4352600 -220.389 19.2765 -181.895 -15.3565 124.416 63.3792 -94.9287 158.237 69.5589 PRESSAVG: 4352600 -21.3933 -36.0196 -71.6408 -36.0196 13.2352 20.1228 -71.6408 20.1228 -5.43529 GPRESSAVG: 4352600 -21.2962 -33.3527 -70.6974 -36.9508 14.155 18.9289 -73.0346 22.3417 -6.60592 TIMING: 4352600 CPU: 13831.7, 0.00315942/step Wall: 13831.7, 0.00315942/step, 0.56817 hours remaining, 239.070312 MB of memory in use. ENERGY: 4352600 3981.6700 20756.5922 14516.6498 230.0766 -203245.1148 2564.3003 0.0000 0.0000 52033.2469 -109162.5790 299.0358 -161195.8259 -108808.2475 299.9581 -36.1056 -8.8044 761165.6604 -4.5311 -4.5824 PRESSURE: 4352800 267.618 128.646 -285.732 128.646 12.8382 181.773 -285.732 181.772 431.539 GPRESSURE: 4352800 196.244 54.3775 -310.713 115.123 133.692 172.085 -52.5435 168.624 466.762 PRESSAVG: 4352800 34.8799 -4.28895 -0.810269 -4.28892 -36.5531 54.9006 -0.810245 54.9006 -9.73705 GPRESSAVG: 4352800 34.2965 -6.07763 -0.910657 -2.74776 -36.3449 54.6858 2.1154 53.6375 -9.20906 TIMING: 4352800 CPU: 13832.4, 0.00316726/step Wall: 13832.4, 0.00316726/step, 0.569404 hours remaining, 239.070312 MB of memory in use. ENERGY: 4352800 3980.5298 20385.7349 14504.4062 226.6183 -203137.5638 2633.8883 0.0000 0.0000 52155.4982 -109250.8882 299.7384 -161406.3863 -108881.8319 299.9466 237.3319 265.5658 760869.5908 -3.8034 -3.7525 PRESSURE: 4353000 -10.3482 -125.967 150.467 -125.966 -289.476 -62.4303 150.467 -62.432 -89.2828 GPRESSURE: 4353000 25.6837 -178.495 212.561 -95.7318 -207.224 -35.3177 40.8789 -41.4693 -136.962 PRESSAVG: 4353000 -39.3087 -14.7776 3.51586 -14.7775 40.4436 -24.7005 3.51588 -24.7006 21.3521 GPRESSAVG: 4353000 -40.3184 -15.1138 4.2975 -16.4513 40.8464 -24.1684 0.714874 -24.0666 21.8286 TIMING: 4353000 CPU: 13833, 0.00314107/step Wall: 13833, 0.00314107/step, 0.56452 hours remaining, 239.070312 MB of memory in use. ENERGY: 4353000 3965.5219 20632.4342 14473.7905 243.1938 -203124.4024 2187.5173 0.0000 0.0000 52301.7358 -109320.2088 300.5788 -161621.9446 -108949.3500 300.2298 -129.7022 -106.1675 760612.6410 7.4956 7.4522 PRESSURE: 4353200 68.7078 10.3731 113.907 10.3734 -297.719 -8.64627 113.906 -8.64584 -303.94 GPRESSURE: 4353200 41.7269 21.1385 107.07 -100.332 -232.493 54.1369 90.7125 -55.8993 -253.245 PRESSAVG: 4353200 26.6916 37.0557 31.2938 37.0557 -32.7335 -21.5645 31.2938 -21.5645 15.85 GPRESSAVG: 4353200 26.9997 36.565 30.3351 37.1027 -32.817 -21.0608 32.6723 -20.7279 15.4161 TIMING: 4353200 CPU: 13833.6, 0.00316023/step Wall: 13833.6, 0.00316023/step, 0.567788 hours remaining, 239.070312 MB of memory in use. ENERGY: 4353200 4022.2509 20616.9454 14498.7341 254.3846 -203337.6014 2509.1299 0.0000 0.0000 52039.7492 -109396.4073 299.0732 -161436.1565 -109034.3907 299.6732 -177.6506 -148.0037 761237.5296 3.2694 3.1996 PRESSURE: 4353400 -208.638 -18.2617 -7.33761 -18.262 85.9475 -80.3647 -7.33753 -80.3649 -309.198 GPRESSURE: 4353400 -84.2056 17.9653 29.3398 -33.208 83.2506 -49.8103 3.78806 -158.674 -349.443 PRESSAVG: 4353400 -1.84645 9.75474 -34.0979 9.75469 -0.23178 -27.2005 -34.0979 -27.2006 15.3594 GPRESSAVG: 4353400 -0.743 10.2193 -33.2918 8.67581 -1.32208 -28.3687 -33.8871 -29.8195 15.9832 TIMING: 4353400 CPU: 13834.3, 0.00318565/step Wall: 13834.3, 0.00318565/step, 0.572178 hours remaining, 239.070312 MB of memory in use. ENERGY: 4353400 3985.6333 20586.4204 14556.9895 250.4142 -203232.6347 2574.9633 0.0000 0.0000 51776.7762 -109501.4378 297.5618 -161278.2140 -109140.8449 299.1272 -143.9628 -116.7994 761094.6104 4.4271 4.6394 PRESSURE: 4353600 -82.6648 31.6924 65.0375 31.6929 -454.095 97.5267 65.0375 97.5269 -289.708 GPRESSURE: 4353600 -71.3988 63.7584 138.808 -25.7701 -444.309 88.0696 54.1331 45.5953 -243.123 PRESSAVG: 4353600 26.5166 9.62307 -13.0243 9.62306 -33.3688 41.8044 -13.0243 41.8045 5.80154 GPRESSAVG: 4353600 26.6834 10.8903 -12.5523 9.56886 -33.0873 40.6552 -12.635 42.8723 5.16264 TIMING: 4353600 CPU: 13834.9, 0.00315287/step Wall: 13834.9, 0.00315287/step, 0.566116 hours remaining, 239.070312 MB of memory in use. ENERGY: 4353600 3986.5091 20502.5412 14493.5481 253.4161 -203613.9693 2617.6680 0.0000 0.0000 52104.4560 -109655.8307 299.4450 -161760.2867 -109288.0818 299.1120 -275.4890 -252.9433 760933.7429 -0.3502 -0.4137 PRESSURE: 4353800 -27.4881 170.77 -125.004 170.771 148.937 -73.3557 -125.004 -73.3549 388.721 GPRESSURE: 4353800 38.472 217.133 -92.9794 147.575 180.701 -53.9651 -166.33 -76.0909 399.483 PRESSAVG: 4353800 55.8673 -31.4826 -45.0274 -31.4826 -29.3466 20.6392 -45.0274 20.6392 10.2129 GPRESSAVG: 4353800 54.9947 -35.5044 -44.5077 -29.9711 -28.6847 21.8332 -45.7768 21.935 11.1096 TIMING: 4353800 CPU: 13835.5, 0.00318479/step Wall: 13835.5, 0.00318479/step, 0.57167 hours remaining, 239.070312 MB of memory in use. ENERGY: 4353800 4008.4666 20393.0283 14505.9593 245.5069 -203599.7891 2768.6654 0.0000 0.0000 51983.5025 -109694.6601 298.7499 -161678.1625 -109334.8163 298.4725 170.0565 206.2186 761919.1379 12.2445 12.4732 PRESSURE: 4354000 117.456 45.8523 -41.091 45.8518 -456.566 9.56932 -41.0907 9.56899 298.95 GPRESSURE: 4354000 175.736 186.372 -70.8293 65.5436 -409.116 -86.1227 84.426 103.375 272.651 PRESSAVG: 4354000 14.9473 -8.06925 -31.1368 -8.06931 -31.872 37.0516 -31.1368 37.0516 -12.5824 GPRESSAVG: 4354000 16.0912 -4.57056 -30.6834 -7.43722 -31.7383 37.0099 -31.9775 35.6525 -13.8703 TIMING: 4354000 CPU: 13836.2, 0.00321156/step Wall: 13836.2, 0.00321156/step, 0.576296 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4354000 3988.9142 20553.1595 14445.9823 249.3826 -203665.7447 2713.0238 0.0000 0.0000 52114.6597 -109600.6224 299.5037 -161715.2822 -109237.6861 298.7249 -13.3864 13.0905 762014.7067 -9.8357 -9.8391 PRESSURE: 4354200 -134.797 -73.3424 -21.4414 -73.3426 -99.4383 106.999 -21.4402 106.999 -7.29621 GPRESSURE: 4354200 -149.575 -29.9001 -39.7786 -19.4962 15.6956 100.986 90.7229 -13.6704 -37.7737 PRESSAVG: 4354200 25.7242 -3.8817 17.8984 -3.88169 -5.58155 7.25345 17.8983 7.25343 17.4898 GPRESSAVG: 4354200 25.4827 -4.88763 17.7654 -6.07174 -5.42347 6.58462 16.5521 5.98411 16.9989 TIMING: 4354200 CPU: 13836.8, 0.00319224/step Wall: 13836.8, 0.00319224/step, 0.572653 hours remaining, 239.070312 MB of memory in use. ENERGY: 4354200 3971.3154 20480.4808 14466.4904 247.7233 -203041.3277 2591.6948 0.0000 0.0000 51660.0121 -109623.6110 296.8908 -161283.6230 -109269.9769 299.0794 -80.5106 -57.2178 762053.1403 12.5441 12.3527 PRESSURE: 4354400 -170.227 153.165 206.729 153.165 68.7648 -151.514 206.729 -151.514 -131.614 GPRESSURE: 4354400 -45.4319 198.664 129.966 55.2813 27.9442 -160.4 337.622 -129.156 -101.896 PRESSAVG: 4354400 32.6792 39.3891 32.6544 39.3891 -9.66907 6.05272 32.6545 6.0527 -12.8876 GPRESSAVG: 4354400 32.0809 39.3368 30.9864 39.8601 -10.4766 6.83045 34.8594 6.62043 -11.2799 TIMING: 4354400 CPU: 13837.5, 0.00318472/step Wall: 13837.5, 0.00318472/step, 0.571126 hours remaining, 239.070312 MB of memory in use. ENERGY: 4354400 3943.0060 20575.4733 14432.6897 236.7672 -203109.0999 2440.7854 0.0000 0.0000 51886.6048 -109593.7736 298.1930 -161480.3784 -109243.6208 298.9806 -77.6920 -39.7945 762266.6263 3.3742 3.4415 PRESSURE: 4354600 -130.179 -25.0536 -0.0985809 -25.0536 44.5326 33.1296 -0.0985904 33.1284 141.445 GPRESSURE: 4354600 -91.8396 -35.111 -84.1252 -83.943 92.4608 5.39721 8.50526 -34.4948 138.456 PRESSAVG: 4354600 19.1292 37.2763 6.58282 37.2763 -48.053 43.1226 6.58276 43.1226 -14.8479 GPRESSAVG: 4354600 18.9477 37.75 6.04472 38.8376 -46.0621 43.2325 8.07329 42.1629 -16.4901 TIMING: 4354600 CPU: 13838.1, 0.00325838/step Wall: 13838.1, 0.00325838/step, 0.584154 hours remaining, 239.070312 MB of memory in use. ENERGY: 4354600 3894.7773 20223.6888 14481.3599 250.0083 -203647.8782 2754.4803 0.0000 0.0000 52432.0665 -109611.4972 301.3278 -162043.5636 -109241.8490 298.9139 18.5993 46.3590 762546.2972 -14.5906 -14.5348 PRESSURE: 4354800 11.1223 -124 -35.5744 -124.001 -239.505 179.548 -35.5738 179.549 -275.021 GPRESSURE: 4354800 64.4646 -161.169 7.1884 -172.798 -222.28 164.539 36.2862 165.803 -252.719 PRESSAVG: 4354800 16.1222 -58.5507 18.5744 -58.5507 9.45125 29.2834 18.5743 29.2834 3.22515 GPRESSAVG: 4354800 17.5579 -59.529 19.151 -58.3196 7.61101 30.8058 19.2979 30.8039 3.38289 TIMING: 4354800 CPU: 13838.8, 0.00321238/step Wall: 13838.8, 0.00321238/step, 0.57573 hours remaining, 239.070312 MB of memory in use. ENERGY: 4354800 3915.1461 20504.0416 14409.5532 238.4235 -203379.0464 2494.2734 0.0000 0.0000 52114.6906 -109702.9182 299.5038 -161817.6088 -109343.0125 299.1505 -167.8011 -136.8449 761386.9271 9.5995 9.5173 PRESSURE: 4355000 -265.46 -45.5668 -50.7926 -45.5667 -390.909 1.70004 -50.7923 1.70038 77.3927 GPRESSURE: 4355000 -340.527 24.6287 -88.7325 4.1632 -344.85 61.3562 -108.227 40.3725 188.273 PRESSAVG: 4355000 7.47006 -30.0745 31.9127 -30.0745 -20.5778 24.1857 31.9127 24.1856 -3.47586 GPRESSAVG: 4355000 6.55 -31.2767 32.7502 -29.6434 -19.9791 22.1379 29.6548 24.4276 -3.02451 TIMING: 4355000 CPU: 13839.4, 0.00317232/step Wall: 13839.4, 0.00317232/step, 0.568374 hours remaining, 239.070312 MB of memory in use. ENERGY: 4355000 3999.8854 20469.1797 14428.4916 243.7237 -203499.5538 2754.7436 0.0000 0.0000 51765.0390 -109838.4906 297.4944 -161603.5296 -109495.8615 298.9801 -192.9921 -165.7014 762647.1156 -5.5279 -5.4845 PRESSURE: 4355200 299.27 -128.561 -34.1555 -128.561 84.3915 -66.2744 -34.1552 -66.2735 169.95 GPRESSURE: 4355200 369.62 -157.379 -22.6786 -177.478 48.5489 -3.02075 -110.72 -167.175 215.412 PRESSAVG: 4355200 -29.3561 2.03659 -13.6087 2.03659 28.04 -8.78049 -13.6088 -8.78043 4.84386 GPRESSAVG: 4355200 -28.2908 4.18555 -11.6464 -1.07873 26.3978 -8.40385 -15.502 -8.532 5.68573 TIMING: 4355200 CPU: 13840, 0.00318324/step Wall: 13840, 0.00318324/step, 0.570154 hours remaining, 239.070312 MB of memory in use. ENERGY: 4355200 4081.4981 20509.3420 14433.2713 241.7666 -203941.8446 2895.5658 0.0000 0.0000 51978.4232 -109801.9776 298.7207 -161780.4008 -109442.0959 298.5153 184.5373 211.1937 760634.0076 1.1759 1.2643 PRESSURE: 4355400 -168.159 147.832 -126.322 147.832 85.8518 191.025 -126.322 191.024 -120.134 GPRESSURE: 4355400 -173.7 249.061 -91.9638 199.987 99.0261 183.359 76.144 120.126 -57.3557 PRESSAVG: 4355400 -16.7421 -33.7215 30.3672 -33.7215 40.4123 29.4244 30.3673 29.4245 -11.1875 GPRESSAVG: 4355400 -17.5918 -35.1435 29.3237 -31.1241 42.012 30.3918 32.6668 26.9344 -11.2451 TIMING: 4355400 CPU: 13840.7, 0.00320173/step Wall: 13840.7, 0.00320173/step, 0.573287 hours remaining, 239.070312 MB of memory in use. ENERGY: 4355400 3973.2377 20695.2423 14444.2003 241.4391 -203113.4156 2306.2226 0.0000 0.0000 51824.1264 -109628.9472 297.8340 -161453.0736 -109275.7923 299.0674 -67.4802 -44.0100 760306.4790 4.1609 4.3917 PRESSURE: 4355600 83.3048 -144.89 -4.16412 -144.891 -99.6075 179.882 -4.16433 179.882 -188.006 GPRESSURE: 4355600 128.63 -112.56 -40.2991 -108.438 -71.6603 174.696 -70.1366 176.014 -161.256 PRESSAVG: 4355600 -79.172 5.88593 -39.3197 5.88589 53.2782 -16.2327 -39.3197 -16.2327 9.35222 GPRESSAVG: 4355600 -79.1147 7.82847 -40.9272 4.28498 53.5855 -17.5725 -40.1772 -14.2679 8.93164 TIMING: 4355600 CPU: 13841.3, 0.00318547/step Wall: 13841.3, 0.00318547/step, 0.5702 hours remaining, 239.070312 MB of memory in use. ENERGY: 4355600 3940.8768 20548.4405 14454.7019 229.3877 -203308.1728 2400.2992 0.0000 0.0000 52161.3319 -109573.1348 299.7719 -161734.4667 -109206.5674 298.8237 -68.1030 -34.7622 760704.1558 -5.5139 -5.5325 PRESSURE: 4355800 424.06 105.281 -50.057 105.281 -57.5729 151.752 -50.0566 151.751 348.735 GPRESSURE: 4355800 399.274 55.0586 -84.1853 82.1404 6.54851 157.722 -58.8346 83.2092 393.211 PRESSAVG: 4355800 30.025 2.08769 -23.9994 2.08768 10.394 -47.9344 -23.9993 -47.9344 -10.9879 GPRESSAVG: 4355800 29.8278 -0.696389 -21.6883 4.25755 10.3475 -46.7342 -25.0856 -47.8868 -10.9145 TIMING: 4355800 CPU: 13841.9, 0.00315945/step Wall: 13841.9, 0.00315945/step, 0.565367 hours remaining, 239.070312 MB of memory in use. ENERGY: 4355800 3989.3268 20458.1878 14442.9638 258.5616 -203536.7056 2728.5227 0.0000 0.0000 52156.4607 -109502.6823 299.7439 -161659.1429 -109132.0247 299.1857 238.4074 266.3445 760544.6631 9.8104 9.7536 PRESSURE: 4356000 104.047 134.534 115.33 134.535 -198.415 87.3122 115.33 87.3127 -140.245 GPRESSURE: 4356000 122.204 187.365 161.047 11.3729 -134.706 63.2945 90.5884 34.0521 -156.359 PRESSAVG: 4356000 -12.4173 -5.65568 -24.0154 -5.65568 -28.0056 -16.6 -24.0154 -16.6 1.46867 GPRESSAVG: 4356000 -12.1124 -2.61125 -26.1645 -7.63838 -27.6969 -18.8142 -24.538 -16.8779 0.984728 TIMING: 4356000 CPU: 13842.6, 0.00319074/step Wall: 13842.6, 0.00319074/step, 0.570787 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4356000 3938.0528 20423.3076 14485.1528 241.1890 -203106.2411 2461.2618 0.0000 0.0000 51948.3290 -109608.9481 298.5478 -161557.2771 -109254.9532 298.7988 -78.2045 -56.2869 761766.8955 -12.9847 -12.9415 PRESSURE: 4356200 72.5875 34.3143 14.8349 34.3139 305.288 -14.4614 14.8339 -14.4617 48.4341 GPRESSURE: 4356200 139.803 17.7564 -77.1655 -6.77314 290.121 19.3063 -41.7358 10.4673 72.3043 PRESSAVG: 4356200 -64.8333 -38.1254 -7.03475 -38.1254 46.8891 3.79485 -7.0347 3.79483 12.1201 GPRESSAVG: 4356200 -64.9992 -39.9868 -5.81226 -37.2629 47.2136 4.55775 -5.87408 3.11878 12.412 TIMING: 4356200 CPU: 13843.2, 0.00316544/step Wall: 13843.2, 0.00316544/step, 0.566086 hours remaining, 239.070312 MB of memory in use. ENERGY: 4356200 4021.0251 20435.9922 14485.2700 249.3252 -203191.7319 2704.9020 0.0000 0.0000 52004.2949 -109290.9224 298.8694 -161295.2173 -108932.0036 299.0243 142.1032 167.4093 760747.1507 -1.9414 -1.7912 LDB: ============= START OF LOAD BALANCING ============== 13855.6 LDB: ============== END OF LOAD BALANCING =============== 13855.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13855.6 LDB: ============= START OF LOAD BALANCING ============== 13855.9 LDB: Largest compute 7026 load 0.037520 is 19.1% of average load 0.195977 LDB: Average compute 0.004403 is 2.2% of average load 0.195977 LDB: TIME 13855.9 LOAD: AVG 0.195977 MAX 0.215607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 13855.9 LOAD: AVG 0.195977 MAX 0.215607 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: TIME 13855.9 LOAD: AVG 0.195977 MAX 0.215607 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.938 MB LDB: ============== END OF LOAD BALANCING =============== 13855.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13855.9 PRESSURE: 4356400 282.8 -35.8933 164.893 -35.8931 -60.839 -19.3549 164.893 -19.3556 348.66 GPRESSURE: 4356400 374.913 -112.602 208.081 -171.299 -94.8153 -24.0397 203.734 -7.2041 365.147 PRESSAVG: 4356400 -10.4033 13.2993 -51.3333 13.2993 13.6526 8.93043 -51.3333 8.93036 12.6265 GPRESSAVG: 4356400 -9.37444 13.1559 -52.5548 12.4181 12.3487 10.8233 -50.9288 8.90426 12.2078 TIMING: 4356400 CPU: 13843.9, 0.00327339/step Wall: 13843.9, 0.00327339/step, 0.58521 hours remaining, 237.843750 MB of memory in use. ENERGY: 4356400 4042.8487 20525.9515 14495.0601 262.5389 -203053.2654 2515.7180 0.0000 0.0000 51995.8194 -109215.3287 298.8207 -161211.1481 -108854.1138 299.8521 190.2070 215.0817 760839.6718 5.2919 5.0607 PRESSURE: 4356600 71.5222 85.0762 -145.49 85.0762 -13.0863 -174.131 -145.491 -174.13 -235.484 GPRESSURE: 4356600 4.72304 47.3475 -87.0872 1.10931 37.9195 -228.197 -128.4 -195.766 -160.488 PRESSAVG: 4356600 15.6831 -40.2665 3.46795 -40.2665 -6.47604 4.46634 3.46791 4.46633 -23.6651 GPRESSAVG: 4356600 13.381 -39.9052 5.51248 -40.8629 -5.12966 4.33888 2.92341 3.45292 -22.8148 TIMING: 4356600 CPU: 13844.5, 0.00324133/step Wall: 13844.5, 0.00324133/step, 0.579298 hours remaining, 237.843750 MB of memory in use. ENERGY: 4356600 4030.4284 20450.2461 14508.1584 259.4113 -202988.6049 2423.0196 0.0000 0.0000 52002.5083 -109314.8328 298.8591 -161317.3411 -108943.7372 299.9345 -59.0160 -39.2817 762610.5608 -4.8194 -4.8545 PRESSURE: 4356800 76.1646 -127.61 223.912 -127.61 103.737 -54.6196 223.912 -54.6192 304.937 GPRESSURE: 4356800 136.634 -12.4424 219.333 -52.1116 166.887 -107.872 89.5837 -16.0548 278.506 PRESSAVG: 4356800 -28.5028 -7.42806 7.54507 -7.42802 11.3077 -18.2596 7.54502 -18.2596 -15.7874 GPRESSAVG: 4356800 -26.1162 -5.76254 5.93942 -6.79345 10.8703 -20.7097 6.0718 -15.7842 -17.351 TIMING: 4356800 CPU: 13845.2, 0.00325787/step Wall: 13845.2, 0.00325787/step, 0.582072 hours remaining, 237.843750 MB of memory in use. ENERGY: 4356800 3930.3769 20429.4772 14483.9880 260.2663 -202862.9929 2492.3287 0.0000 0.0000 52184.0495 -109082.5062 299.9024 -161266.5556 -108725.8244 299.2601 161.6128 194.0086 762915.3266 -10.9942 -10.8656 PRESSURE: 4357000 43.8136 27.0965 -371.155 27.0964 237.842 -95.3609 -371.155 -95.36 -53.4085 GPRESSURE: 4357000 50.0958 6.01043 -278.748 17.994 309.658 15.7779 -370.041 -7.48651 -60.9694 PRESSAVG: 4357000 -26.5623 6.28607 -75.0786 6.28614 16.7297 -7.1933 -75.0787 -7.19332 15.6169 GPRESSAVG: 4357000 -28.247 6.42236 -73.8291 7.43828 15.0575 -5.82144 -74.0662 -4.8586 18.337 TIMING: 4357000 CPU: 13845.8, 0.00320978/step Wall: 13845.8, 0.00320978/step, 0.573302 hours remaining, 237.843750 MB of memory in use. ENERGY: 4357000 4000.9246 20360.7684 14478.0686 248.4126 -203353.5953 2782.8856 0.0000 0.0000 52232.6390 -109249.8966 300.1817 -161482.5356 -108888.8076 299.2918 76.0824 99.5949 759990.7257 1.9281 1.7158 PRESSURE: 4357200 -386.676 248.872 95.8564 248.871 86.0558 162.995 95.8564 162.995 78.6834 GPRESSURE: 4357200 -248.527 181.066 69.1992 207.53 46.3126 60.4627 32.0434 185.713 80.3822 PRESSAVG: 4357200 -52.0258 -16.6051 47.1684 -16.6051 75.0624 5.99717 47.1684 5.99711 2.96765 GPRESSAVG: 4357200 -51.717 -19.0291 46.782 -17.2602 76.9104 4.64893 49.0279 3.37157 0.767215 TIMING: 4357200 CPU: 13846.4, 0.00322401/step Wall: 13846.4, 0.00322401/step, 0.575665 hours remaining, 237.843750 MB of memory in use. ENERGY: 4357200 4001.7516 20601.7961 14434.3220 254.9037 -202395.9586 2001.6354 0.0000 0.0000 51781.8301 -109319.7197 297.5909 -161101.5498 -108965.7287 299.4990 -73.9790 -40.6106 761068.1428 8.6681 8.6535 PRESSURE: 4357400 -286.259 -104.543 118.499 -104.543 -100.031 122.19 118.499 122.188 -267.245 GPRESSURE: 4357400 -211.806 55.0007 192.662 -64.8714 -123.722 78.8823 109.46 183.761 -246.551 PRESSAVG: 4357400 -18.3958 -31.569 58.6577 -31.569 22.6085 -5.42558 58.6577 -5.42561 27.0348 GPRESSAVG: 4357400 -18.7333 -30.6108 60.1007 -31.1546 22.2373 -6.2032 53.9973 -4.43241 27.7309 TIMING: 4357400 CPU: 13847.1, 0.00321246/step Wall: 13847.1, 0.00321246/step, 0.573424 hours remaining, 237.843750 MB of memory in use. ENERGY: 4357400 4023.1829 20554.3509 14428.3223 245.1182 -203230.9513 2323.1545 0.0000 0.0000 52126.7226 -109530.1000 299.5730 -161656.8225 -109178.2645 299.4541 -217.8450 -194.0263 760236.7184 10.4159 10.4116 PRESSURE: 4357600 -250.602 -171.849 -12.1803 -171.849 -146.755 -1.01769 -12.1807 -1.01786 -540.949 GPRESSURE: 4357600 -313.951 -49.6001 -47.7871 -114.495 -1.9061 -22.3209 29.0282 140.771 -511.715 PRESSAVG: 4357600 -3.30043 -7.79538 -7.15508 -7.79538 32.402 1.97427 -7.15509 1.97426 -17.4811 GPRESSAVG: 4357600 -3.05452 -9.39776 -8.6517 -8.2937 32.3631 3.11484 -5.81791 0.632791 -17.7872 TIMING: 4357600 CPU: 13847.7, 0.00322705/step Wall: 13847.7, 0.00322705/step, 0.575849 hours remaining, 237.843750 MB of memory in use. ENERGY: 4357600 3938.8449 20570.3846 14472.1111 243.3733 -203276.0012 2449.5864 0.0000 0.0000 51901.3380 -109700.3629 298.2777 -161601.7009 -109334.5467 298.8138 -312.7686 -275.8573 760459.6793 3.8735 3.8404 PRESSURE: 4357800 -119.59 -258.739 -100.664 -258.739 -42.9802 69.0122 -100.664 69.0114 -270.426 GPRESSURE: 4357800 -37.5813 -220.056 -65.3277 -257.251 -105.928 118.868 -183.642 61.2688 -193.452 PRESSAVG: 4357800 10.4181 -58.299 -18.582 -58.299 -8.87924 25.4176 -18.582 25.4176 11.9239 GPRESSAVG: 4357800 9.66122 -56.4193 -18.6938 -57.5418 -9.51397 25.8126 -16.7187 24.1179 13.9405 TIMING: 4357800 CPU: 13848.4, 0.00316717/step Wall: 13848.4, 0.00316717/step, 0.564987 hours remaining, 237.843750 MB of memory in use. ENERGY: 4357800 4001.5071 20495.3773 14469.0505 245.2134 -203146.1438 2579.4042 0.0000 0.0000 51795.0800 -109560.5114 297.6670 -161355.5914 -109202.6259 298.4502 -144.3322 -112.3202 764179.1718 4.4876 4.6959 PRESSURE: 4358000 15.3703 -2.68123 -195.955 -2.68071 -289.237 20.2761 -195.955 20.2764 -182.195 GPRESSURE: 4358000 8.43292 -88.8784 -203.507 -143.176 -260.169 61.4308 -188.043 4.77509 -114.869 PRESSAVG: 4358000 -30.0133 -10.4477 -22.6807 -10.4477 0.298101 10.0381 -22.6807 10.0381 -0.339951 GPRESSAVG: 4358000 -28.9994 -11.2564 -24.6518 -10.2806 0.573912 10.746 -20.3348 9.70859 -1.29699 TIMING: 4358000 CPU: 13849, 0.00318305/step Wall: 13849, 0.00318305/step, 0.567645 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4358000 3981.4882 20414.2204 14453.7917 241.8815 -203265.8984 2672.4650 0.0000 0.0000 51953.0785 -109548.9730 298.5751 -161502.0515 -109177.3915 298.3089 -152.0205 -122.2017 765055.7382 -10.0184 -9.9075 PRESSURE: 4358200 245.215 249.401 -45.8074 249.402 112.839 93.9012 -45.8081 93.9008 -315.791 GPRESSURE: 4358200 216.936 186.117 -5.13293 190.846 201.061 52.1202 -102.479 118.499 -290.581 PRESSAVG: 4358200 9.38023 -100.455 -16.4805 -100.455 26.7944 14.3345 -16.4805 14.3346 -35.9268 GPRESSAVG: 4358200 9.74848 -101.581 -14.7421 -101.017 27.241 13.7028 -19.943 15.5338 -36.2725 TIMING: 4358200 CPU: 13849.6, 0.00321415/step Wall: 13849.6, 0.00321415/step, 0.573012 hours remaining, 237.843750 MB of memory in use. ENERGY: 4358200 4014.5253 20512.7324 14456.0792 256.9379 -203190.5084 2607.4776 0.0000 0.0000 52040.6646 -109302.0913 299.0784 -161342.7560 -108950.7466 299.1764 14.0878 42.4724 761240.6166 0.0826 0.2390 PRESSURE: 4358400 243.971 -30.866 94.7168 -30.8655 -179.386 -146.384 94.7172 -146.384 -279.501 GPRESSURE: 4358400 328.835 157.72 83.9066 -33.0128 -192.279 -124.829 102.06 2.30536 -284.138 PRESSAVG: 4358400 -41.3203 -42.3057 -33.8634 -42.3057 51.7844 -34.2459 -33.8634 -34.246 27.4603 GPRESSAVG: 4358400 -42.4717 -41.4341 -32.4928 -42.2287 52.9886 -34.4344 -33.9981 -34.1509 27.7838 TIMING: 4358400 CPU: 13850.3, 0.00320322/step Wall: 13850.3, 0.00320322/step, 0.570885 hours remaining, 237.843750 MB of memory in use. ENERGY: 4358400 3942.3884 20612.9843 14485.8252 274.7770 -203124.7119 2488.4505 0.0000 0.0000 51973.9923 -109346.2941 298.6952 -161320.2864 -108980.6284 299.4609 -71.6383 -49.1939 762413.5783 12.6415 12.7669 PRESSURE: 4358600 -218.776 16.1147 82.0075 16.1148 -402.18 200.479 82.0074 200.479 130.205 GPRESSURE: 4358600 -188.478 11.0476 49.6994 28.6341 -342.511 104.425 149.558 206.255 119.039 PRESSAVG: 4358600 -44.7231 11.2522 45.2896 11.2522 20.7167 9.14566 45.2896 9.14572 17.1413 GPRESSAVG: 4358600 -43.1859 13.049 44.065 9.83058 20.1773 9.91788 47.136 9.83636 16.2112 TIMING: 4358600 CPU: 13850.9, 0.00321114/step Wall: 13850.9, 0.00321114/step, 0.572118 hours remaining, 237.843750 MB of memory in use. ENERGY: 4358600 3945.4606 20518.9321 14437.2909 263.3702 -203159.4756 2475.3734 0.0000 0.0000 52267.1307 -109251.9178 300.3799 -161519.0484 -108890.8633 299.8813 -163.5838 -137.3166 761256.6365 -2.2884 -2.2658 PRESSURE: 4358800 -152.272 -182.504 178.511 -182.504 178.341 -133.724 178.511 -133.724 -128.758 GPRESSURE: 4358800 -84.5203 -147.571 248.832 -123.625 130.061 -186.921 85.6296 -14.4779 -53.0956 PRESSAVG: 4358800 1.38569 -70.9526 24.0596 -70.9527 29.8061 2.97955 24.0596 2.97947 1.39272 GPRESSAVG: 4358800 0.7821 -71.9623 23.1375 -69.765 28.4247 2.78454 24.174 3.06641 3.02894 TIMING: 4358800 CPU: 13851.6, 0.00324288/step Wall: 13851.6, 0.00324288/step, 0.577593 hours remaining, 237.843750 MB of memory in use. ENERGY: 4358800 3951.2603 20478.5315 14528.4751 240.3888 -203413.6943 2756.1858 0.0000 0.0000 51986.6219 -109472.2309 298.7678 -161458.8529 -109113.3653 299.4204 -34.2296 -2.5183 759773.3190 10.8615 10.7452 PRESSURE: 4359000 -431.079 234.283 251.454 234.283 -169.885 96.1595 251.454 96.1586 321.886 GPRESSURE: 4359000 -337.212 74.4371 257.171 200.096 -110.216 131.568 266.309 74.3851 265.845 PRESSAVG: 4359000 -13.7916 -67.359 24.5732 -67.359 44.8075 -3.22596 24.5733 -3.22594 28.005 GPRESSAVG: 4359000 -14.0347 -67.4346 26.4566 -68.8584 46.875 -2.77753 22.5582 -3.28642 26.4416 TIMING: 4359000 CPU: 13852.2, 0.00322246/step Wall: 13852.2, 0.00322246/step, 0.573777 hours remaining, 237.843750 MB of memory in use. ENERGY: 4359000 3962.2936 20592.3812 14463.4569 254.2080 -203424.4825 2535.8287 0.0000 0.0000 52221.4082 -109394.9060 300.1172 -161616.3141 -109036.9522 300.1199 -93.0257 -60.5275 758950.5195 19.6736 19.7606 PRESSURE: 4359200 131.796 -133.416 113.819 -133.416 39.1297 133.9 113.82 133.901 168.965 GPRESSURE: 4359200 156.261 -101.607 138.388 -143.308 61.6015 90.0984 71.4674 242.583 201.618 PRESSAVG: 4359200 -3.35813 -28.2698 38.193 -28.2698 5.35086 -33.5343 38.193 -33.5342 -3.17956 GPRESSAVG: 4359200 -4.26506 -29.5917 36.5947 -25.1403 5.03703 -33.2637 39.2238 -33.8296 -2.73843 TIMING: 4359200 CPU: 13852.9, 0.00322628/step Wall: 13852.9, 0.00322628/step, 0.574277 hours remaining, 237.843750 MB of memory in use. ENERGY: 4359200 3980.4633 20854.4384 14497.2561 253.1458 -203701.1559 2706.1432 0.0000 0.0000 52040.4667 -109369.2424 299.0773 -161409.7091 -109000.8437 300.0617 113.2970 139.8267 760448.1462 -0.3956 -0.6555 PRESSURE: 4359400 -36.6438 89.4446 -40.9859 89.4447 36.9215 -198.912 -40.9856 -198.914 297.766 GPRESSURE: 4359400 -36.9993 54.9847 -47.6758 18.2526 106.018 -180.796 -20.6243 -159.605 312.751 PRESSAVG: 4359400 2.01411 -53.6461 74.1163 -53.6461 10.9806 -21.1876 74.1163 -21.1877 6.27675 GPRESSAVG: 4359400 1.31826 -51.453 75.0435 -55.2913 12.4039 -23.049 70.5552 -20.6214 5.75005 TIMING: 4359400 CPU: 13853.5, 0.00319862/step Wall: 13853.5, 0.00319863/step, 0.569178 hours remaining, 237.843750 MB of memory in use. ENERGY: 4359400 4009.5023 20784.7909 14468.4552 228.4932 -203569.0086 2721.6648 0.0000 0.0000 52194.1827 -109161.9193 299.9607 -161356.1021 -108800.0748 300.6740 99.3480 127.2567 761120.5236 6.4238 6.4907 PRESSURE: 4359600 -34.1232 17.2479 119.634 17.2472 170.286 97.0043 119.634 97.0034 57.8968 GPRESSURE: 4359600 122.028 -195.356 81.4953 -25.5589 167.297 162.827 128.121 80.3456 -32.4957 PRESSAVG: 4359600 -2.06604 -26.7706 40.0939 -26.7706 29.6342 -10.2515 40.0938 -10.2515 9.97422 GPRESSAVG: 4359600 -0.279269 -26.5094 40.5597 -27.254 27.1117 -8.90936 42.1834 -10.3084 10.7869 TIMING: 4359600 CPU: 13854.1, 0.00318617/step Wall: 13854.1, 0.00318617/step, 0.566784 hours remaining, 237.843750 MB of memory in use. ENERGY: 4359600 3982.5862 20474.0037 14490.1660 235.4896 -203465.6089 2694.1354 0.0000 0.0000 52255.9539 -109333.2742 300.3157 -161589.2281 -108961.2185 300.1275 64.6866 85.6097 759737.2244 12.5141 12.5398 PRESSURE: 4359800 45.6056 -147.508 -138.51 -147.508 85.0287 -36.248 -138.51 -36.248 -15.327 GPRESSURE: 4359800 29.8751 -37.1129 -83.2609 -233.408 147.005 16.7532 -203.582 -26.886 7.35117 PRESSAVG: 4359800 -52.4055 0.960435 30.8978 0.960464 43.2499 14.7682 30.8978 14.7681 -17.3466 GPRESSAVG: 4359800 -52.6047 1.8459 29.4019 0.668098 44.6537 13.2003 33.0331 15.852 -18.6636 TIMING: 4359800 CPU: 13854.8, 0.00321351/step Wall: 13854.8, 0.00321351/step, 0.57147 hours remaining, 237.843750 MB of memory in use. ENERGY: 4359800 3997.5596 20723.0948 14433.9708 240.0136 -203298.6028 2527.2855 0.0000 0.0000 52149.4648 -109227.2137 299.7037 -161376.6785 -108859.0268 299.6163 38.4357 61.4104 762003.4990 -8.8341 -8.8715 PRESSURE: 4360000 313.557 -81.6066 201.906 -81.6068 214.768 -71.817 201.907 -71.8177 255.572 GPRESSURE: 4360000 344.718 -5.3531 168.046 -71.803 223.813 0.890278 285.644 -56.6254 312.508 PRESSAVG: 4360000 44.6404 -14.0673 47.5659 -14.0672 11.0261 24.1816 47.566 24.1816 -15.9022 GPRESSAVG: 4360000 42.9263 -16.9834 47.8143 -15.6912 10.1414 22.9068 46.0923 24.9419 -13.6098 TIMING: 4360000 CPU: 13855.4, 0.00320944/step Wall: 13855.4, 0.00320944/step, 0.570568 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4360000 4014.6903 20603.4377 14413.9712 252.0750 -203846.3228 2950.8230 0.0000 0.0000 52139.2814 -109472.0443 299.6452 -161611.3257 -109108.0963 299.8309 261.2987 293.6797 759510.7219 13.2548 13.1526 PRESSURE: 4360200 143.386 -210.839 -140.427 -210.839 48.7243 -39.8943 -140.427 -39.8952 -284.464 GPRESSURE: 4360200 169.477 -92.6546 -128.691 -33.834 146.815 -49.2844 -52.9831 -117.311 -307.354 PRESSAVG: 4360200 3.74837 30.1346 35.3772 30.1346 -14.3384 -20.2889 35.3771 -20.2889 20.253 GPRESSAVG: 4360200 5.24877 32.4972 37.2417 31.4857 -13.8547 -18.2694 35.362 -21.5159 18.7824 TIMING: 4360200 CPU: 13856.1, 0.00322506/step Wall: 13856.1, 0.00322506/step, 0.573165 hours remaining, 237.843750 MB of memory in use. ENERGY: 4360200 3994.0887 20582.7193 14388.1261 255.7799 -203517.3415 2662.7995 0.0000 0.0000 52250.6262 -109383.2018 300.2851 -161633.8279 -109018.2060 299.2602 -30.7845 2.9792 760275.7069 3.2210 3.3922 LDB: ============= START OF LOAD BALANCING ============== 13868.5 LDB: ============== END OF LOAD BALANCING =============== 13868.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13868.5 LDB: ============= START OF LOAD BALANCING ============== 13868.8 LDB: Largest compute 7073 load 0.035530 is 18.1% of average load 0.196082 LDB: Average compute 0.004401 is 2.2% of average load 0.196082 LDB: TIME 13868.8 LOAD: AVG 0.196082 MAX 0.222045 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13868.8 LOAD: AVG 0.196082 MAX 0.222045 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: TIME 13868.8 LOAD: AVG 0.196082 MAX 0.21736 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.562 MB LDB: ============== END OF LOAD BALANCING =============== 13868.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13868.8 PRESSURE: 4360400 304.003 -114.427 -89.4364 -114.428 -68.1473 57.8702 -89.4361 57.8698 140.3 GPRESSURE: 4360400 248.07 -47.3636 -138.123 -107.947 37.0863 41.257 -52.3026 140.546 171.792 PRESSAVG: 4360400 66.49 -1.84686 17.7664 -1.84685 -35.3092 -42.2186 17.7665 -42.2186 -31.7322 GPRESSAVG: 4360400 65.4387 -2.3577 19.0981 -1.6996 -34.2356 -42.1473 16.1663 -43.4239 -32.1655 TIMING: 4360400 CPU: 13856.7, 0.00324961/step Wall: 13856.7, 0.00324961/step, 0.577347 hours remaining, 237.843750 MB of memory in use. ENERGY: 4360400 3964.3758 20655.8148 14405.1609 254.6456 -203578.3300 2547.9089 0.0000 0.0000 52436.8642 -109313.5600 301.3554 -161750.4242 -108933.1914 300.1249 125.3851 152.3162 760584.2872 -0.1838 -0.3208 PRESSURE: 4360600 19.076 -177.874 -27.1971 -177.874 221.616 -116.292 -27.1968 -116.292 150.81 GPRESSURE: 4360600 74.8657 -167.834 -19.3589 -297.65 274.684 -212.435 -43.5953 -45.5012 131.266 PRESSAVG: 4360600 -54.0435 -3.05582 31.7526 -3.05584 38.6114 -49.8834 31.7526 -49.8834 -12.9473 GPRESSAVG: 4360600 -54.5009 -3.38825 29.4073 -1.66502 37.8248 -49.7656 34.3686 -48.7283 -11.8393 TIMING: 4360600 CPU: 13857.4, 0.00316409/step Wall: 13857.4, 0.00316408/step, 0.561977 hours remaining, 237.843750 MB of memory in use. ENERGY: 4360600 4060.8160 20717.1088 14475.3394 239.1884 -203820.4058 2817.8220 0.0000 0.0000 52072.7743 -109437.3568 299.2629 -161510.1311 -109074.5360 300.0288 130.5006 160.2716 760519.5192 -9.4598 -9.5051 PRESSURE: 4360800 -144.957 -72.2774 -126.108 -72.277 112.55 282.089 -126.108 282.089 -47.4228 GPRESSURE: 4360800 -5.14311 -151.339 -87.5427 -57.9774 55.5451 306.657 -204.088 221.799 -38.1729 PRESSAVG: 4360800 -0.867548 -38.0158 -18.9922 -38.0158 14.8822 19.9073 -18.9921 19.9074 13.1874 GPRESSAVG: 4360800 -1.39103 -37.3181 -20.3326 -40.3952 16.1848 19.4786 -18.7452 20.9863 11.6063 TIMING: 4360800 CPU: 13858, 0.00317302/step Wall: 13858, 0.00317302/step, 0.563387 hours remaining, 237.843750 MB of memory in use. ENERGY: 4360800 4000.0020 20786.6709 14437.6054 237.2848 -203676.8207 2661.8595 0.0000 0.0000 52012.3773 -109541.0207 298.9158 -161553.3980 -109171.2908 299.5706 -26.6100 4.0764 760026.1434 9.0673 8.8000 PRESSURE: 4361000 -177.984 -20.6672 -52.8158 -20.6673 -609.045 -62.3597 -52.8156 -62.3602 -259.329 GPRESSURE: 4361000 -132.758 -18.3563 -178.819 -82.6594 -546.738 -63.6278 -56.8523 -112.005 -267.066 PRESSAVG: 4361000 15.2408 -12.3178 14.2609 -12.3178 -0.778887 27.3966 14.2609 27.3965 13.3409 GPRESSAVG: 4361000 17.1001 -16.709 14.398 -9.44487 -2.43705 29.3261 13.6844 25.611 13.579 TIMING: 4361000 CPU: 13858.6, 0.00318265/step Wall: 13858.6, 0.00318265/step, 0.56492 hours remaining, 237.843750 MB of memory in use. ENERGY: 4361000 4022.2527 20753.0905 14557.8114 235.2869 -203553.1232 2334.7128 0.0000 0.0000 52040.8427 -109609.1262 299.0794 -161649.9689 -109246.5412 299.8211 -348.7856 -315.5204 760181.1294 9.2676 9.4140 PRESSURE: 4361200 -193.196 -82.3418 94.4003 -82.3406 -157.138 -38.7095 94.4005 -38.7105 -131.172 GPRESSURE: 4361200 -148.564 -188.344 127.757 -166.757 -12.5819 -32.7816 20.7707 -36.5921 -226.138 PRESSAVG: 4361200 -63.2481 -7.05092 61.2729 -7.05091 37.49 -52.5975 61.2729 -52.5975 -15.9677 GPRESSAVG: 4361200 -63.5196 -4.85311 61.4552 -11.3489 37.0346 -53.507 62.3775 -52.3766 -15.7684 TIMING: 4361200 CPU: 13859.3, 0.00318637/step Wall: 13859.3, 0.00318637/step, 0.565404 hours remaining, 237.843750 MB of memory in use. ENERGY: 4361200 3994.6285 20655.9035 14466.2186 232.6077 -203419.6629 2455.5133 0.0000 0.0000 52119.0563 -109495.7350 299.5289 -161614.7913 -109126.0437 299.2707 -160.5020 -129.0947 760970.1735 -13.9086 -14.0845 PRESSURE: 4361400 -160.045 -247.373 -41.2765 -247.372 8.29435 -46.5572 -41.2761 -46.5561 440.34 GPRESSURE: 4361400 11.0342 -205.047 -76.4493 -252.495 -34.4199 -97.6466 -142.575 -35.0023 397.64 PRESSAVG: 4361400 -14.1346 -33.0344 12.1697 -33.0345 -34.4365 3.98719 12.1698 3.98716 9.29791 GPRESSAVG: 4361400 -14.175 -34.2564 14.2006 -28.3532 -34.19 2.8296 11.0835 3.66506 9.3773 TIMING: 4361400 CPU: 13859.9, 0.00319563/step Wall: 13859.9, 0.00319563/step, 0.566869 hours remaining, 237.843750 MB of memory in use. ENERGY: 4361400 3998.6323 20537.9590 14478.4174 245.2809 -203176.8409 2419.4777 0.0000 0.0000 52060.3829 -109436.6907 299.1917 -161497.0736 -109066.7180 299.3013 96.1964 124.7515 762128.1087 -13.0910 -12.9959 PRESSURE: 4361600 -14.0947 255.585 -143.817 255.584 -304.187 -67.1341 -143.817 -67.1345 238.792 GPRESSURE: 4361600 53.2025 235.3 -60.5559 195.684 -304.114 -9.4521 -103.421 -181.376 239.573 PRESSAVG: 4361600 -21.3772 -2.88799 1.74272 -2.88792 25.2312 -43.49 1.74273 -43.4901 11.1107 GPRESSAVG: 4361600 -21.4238 -0.940611 -1.07798 -4.41068 24.1613 -42.7606 2.46767 -43.4473 11.6271 TIMING: 4361600 CPU: 13860.5, 0.00316884/step Wall: 13860.5, 0.00316884/step, 0.561941 hours remaining, 237.843750 MB of memory in use. ENERGY: 4361600 3953.0953 20805.9153 14428.0278 230.6504 -203276.4051 2492.2784 0.0000 0.0000 52057.6858 -109308.7522 299.1762 -161366.4380 -108943.8604 299.8007 -26.4965 -3.7796 764154.5861 4.9882 4.7882 PRESSURE: 4361800 199.616 -194.742 114.298 -194.743 -321.901 143.156 114.298 143.155 255.288 GPRESSURE: 4361800 123.783 -137.175 171.164 -108.477 -206.631 170.303 29.2518 174.059 302.684 PRESSAVG: 4361800 -54.3223 31.3189 3.99488 31.3188 17.8834 7.03205 3.99485 7.03202 -8.66985 GPRESSAVG: 4361800 -55.3689 30.3231 6.2407 31.2412 18.4296 5.32395 3.21772 8.45346 -7.85925 TIMING: 4361800 CPU: 13861.2, 0.0033059/step Wall: 13861.2, 0.0033059/step, 0.586063 hours remaining, 237.843750 MB of memory in use. ENERGY: 4361800 3935.6174 20480.2559 14488.5929 234.6584 -203697.7236 2680.0983 0.0000 0.0000 52317.7646 -109560.7362 300.6709 -161878.5008 -109190.2879 299.7911 44.3343 73.2788 761725.6048 -15.0363 -14.9329 PRESSURE: 4362000 120.898 43.8392 -129.104 43.8397 -361.996 91.2668 -129.105 91.2672 -29.8756 GPRESSURE: 4362000 109.104 163.375 -144.447 -71.7138 -262.61 120.743 -90.0527 96.0254 -29.4434 PRESSAVG: 4362000 37.6782 -23.661 -3.30846 -23.661 -55.7652 41.4854 -3.30837 41.4853 -14.6049 GPRESSAVG: 4362000 37.8055 -22.9767 -4.15641 -23.4494 -54.7643 42.7543 -3.74686 42.5408 -15.459 TIMING: 4362000 CPU: 13861.8, 0.00318098/step Wall: 13861.8, 0.00318098/step, 0.563741 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4362000 4076.4074 20597.3036 14375.4606 249.5519 -203516.6412 2634.1222 0.0000 0.0000 52049.3448 -109534.4505 299.1283 -161583.7953 -109172.8757 299.0960 -90.3245 -60.9832 762790.9352 -10.8973 -10.8059 PRESSURE: 4362200 37.5043 86.9993 108.766 86.9989 -182.589 163.088 108.765 163.088 -284.105 GPRESSURE: 4362200 -46.0268 13.9098 142.338 113.775 -39.6949 172.807 191.994 99.0928 -254.632 PRESSAVG: 4362200 -22.9932 65.353 -15.3639 65.353 -1.28191 15.6236 -15.3639 15.6236 -4.50139 GPRESSAVG: 4362200 -23.2848 66.0311 -14.3054 65.0813 -0.55589 15.5309 -15.9953 15.7431 -4.27752 TIMING: 4362200 CPU: 13862.5, 0.00322082/step Wall: 13862.5, 0.00322082/step, 0.570622 hours remaining, 237.843750 MB of memory in use. ENERGY: 4362200 3971.4143 20562.6406 14494.0466 261.3621 -203364.9520 2489.3948 0.0000 0.0000 52077.3492 -109508.7444 299.2892 -161586.0935 -109153.1581 300.1099 -143.0632 -113.4511 761774.0746 -9.5922 -9.3727 PRESSURE: 4362400 -396.664 -5.6339 154.23 -5.63422 -123.327 -208.553 154.23 -208.552 145.093 GPRESSURE: 4362400 -289.689 -92.7213 206.785 7.62824 -80.0927 -162.958 48.9448 -157.431 93.0371 PRESSAVG: 4362400 -31.1394 27.2688 48.7395 27.2687 11.1993 14.9814 48.7396 14.9813 18.7219 GPRESSAVG: 4362400 -30.6182 25.815 47.7849 27.436 9.93056 16.5856 50.1719 13.988 18.9854 TIMING: 4362400 CPU: 13863.1, 0.00321409/step Wall: 13863.1, 0.00321409/step, 0.569252 hours remaining, 237.843750 MB of memory in use. ENERGY: 4362400 3966.3592 20517.8089 14490.8551 234.1157 -203035.7501 2377.3737 0.0000 0.0000 52026.9120 -109422.3255 298.9994 -161449.2375 -109063.3981 299.8227 -124.9659 -92.2481 762932.4876 -0.4061 -0.5674 PRESSURE: 4362600 -423.927 196.746 101.835 196.746 -3.97624 -107.016 101.835 -107.015 -59.068 GPRESSURE: 4362600 -375.033 146.884 51.8953 164.687 12.5683 -113.248 70.422 -88.9728 -44.8121 PRESSAVG: 4362600 -15.4064 -2.33837 -7.37506 -2.33832 -2.15827 0.470861 -7.37512 0.470933 18.6959 GPRESSAVG: 4362600 -15.0703 -1.15708 -7.63157 -2.84888 -0.836539 -0.446719 -7.50407 0.870012 17.2422 TIMING: 4362600 CPU: 13863.8, 0.00320926/step Wall: 13863.8, 0.00320926/step, 0.568218 hours remaining, 237.843750 MB of memory in use. ENERGY: 4362600 4095.2615 20497.4706 14483.7278 262.0982 -203032.3349 2485.4831 0.0000 0.0000 52038.0150 -109170.2787 299.0632 -161208.2937 -108817.8328 299.6910 -162.3236 -135.7588 763495.5658 0.3771 0.4451 PRESSURE: 4362800 -196.148 158.706 -5.60254 158.706 -73.8721 -37.1593 -5.60274 -37.159 -156.335 GPRESSURE: 4362800 -143.915 134.659 33.0487 121.441 -73.2244 -33.3743 -194.408 -114.944 -105.675 PRESSAVG: 4362800 -62.7558 24.6284 -27.0309 24.6284 32.0393 13.6547 -27.0309 13.6547 -7.07845 GPRESSAVG: 4362800 -63.2288 23.9195 -25.2251 24.6293 30.7127 13.9613 -30.8923 12.4452 -5.73392 TIMING: 4362800 CPU: 13864.4, 0.00321112/step Wall: 13864.4, 0.00321112/step, 0.568369 hours remaining, 237.843750 MB of memory in use. ENERGY: 4362800 4045.2285 20607.8962 14461.5962 257.6895 -203513.8756 2769.9277 0.0000 0.0000 51931.8200 -109439.7175 298.4529 -161371.5375 -109087.9122 299.5077 -142.1184 -107.6046 763085.8099 -12.5983 -12.7500 PRESSURE: 4363000 -19.6074 112.413 74.4872 112.413 -134.357 2.11142 74.4865 2.11157 146.952 GPRESSURE: 4363000 4.30486 33.577 71.5796 265.405 -203.662 12.751 75.8665 72.4768 274.633 PRESSAVG: 4363000 -46.8695 8.77541 -53.0155 8.77536 -6.05348 -72.5246 -53.0155 -72.5245 -10.2789 GPRESSAVG: 4363000 -47.26 8.23235 -53.0115 10.1803 -5.72535 -73.1624 -49.5756 -70.2498 -10.5391 TIMING: 4363000 CPU: 13865, 0.00318606/step Wall: 13865, 0.00318606/step, 0.563755 hours remaining, 237.843750 MB of memory in use. ENERGY: 4363000 3915.6777 20556.2799 14505.7532 249.5273 -203303.8524 2453.7778 0.0000 0.0000 52054.2365 -109568.6000 299.1564 -161622.8365 -109205.7810 299.4509 -2.3376 25.0918 761785.1505 -21.0673 -21.1748 PRESSURE: 4363200 68.1723 -165.966 -227.668 -165.966 27.2723 -34.6086 -227.668 -34.6088 -167.945 GPRESSURE: 4363200 38.3993 -20.5625 -248.606 -70.1051 181.443 -24.5624 -246.709 -13.3635 -203.98 PRESSAVG: 4363200 -22.9231 7.5777 -18.9884 7.57765 -19.564 -45.8724 -18.9884 -45.8723 16.3219 GPRESSAVG: 4363200 -22.9974 10.4286 -19.799 7.23669 -18.9719 -46.1481 -17.46 -46.4882 15.5929 TIMING: 4363200 CPU: 13865.7, 0.00319179/step Wall: 13865.7, 0.00319179/step, 0.564592 hours remaining, 237.843750 MB of memory in use. ENERGY: 4363200 4068.6178 20682.1786 14483.5429 247.2695 -203444.6263 2667.3230 0.0000 0.0000 52041.5717 -109254.1227 299.0836 -161295.6945 -108898.9296 299.6955 -24.1667 5.2874 759733.1036 -8.7218 -8.7921 PRESSURE: 4363400 -208.482 -40.7386 -62.2827 -40.7381 119.921 41.5781 -62.2821 41.5794 347.68 GPRESSURE: 4363400 -132.23 2.66459 -74.3639 -90.6285 75.3603 99.4072 -18.9599 -27.5803 414.045 PRESSAVG: 4363400 48.4639 -49.3448 14.2465 -49.3449 -30.6753 -56.3973 14.2465 -56.3973 5.64961 GPRESSAVG: 4363400 48.5106 -52.2986 12.4837 -49.3469 -31.9635 -55.8697 13.8265 -57.619 6.98975 TIMING: 4363400 CPU: 13866.3, 0.00320866/step Wall: 13866.3, 0.00320866/step, 0.567399 hours remaining, 237.843750 MB of memory in use. ENERGY: 4363400 3986.5932 20645.5498 14433.2019 245.6166 -203711.3676 2754.0696 0.0000 0.0000 52250.5650 -109395.7715 300.2847 -161646.3365 -109042.2060 299.4663 86.3727 119.0582 760045.3763 7.8127 7.8456 PRESSURE: 4363600 -74.6154 63.3475 171.304 63.3467 -264.85 -285.752 171.305 -285.752 -336.668 GPRESSURE: 4363600 -27.7239 -29.1606 160.973 92.0368 -322.069 -246.568 173.079 -339.688 -253.618 PRESSAVG: 4363600 -11.7116 -9.36554 -10.9096 -9.36556 9.78448 -45.1107 -10.9096 -45.1107 -5.6012 GPRESSAVG: 4363600 -12.3276 -9.32755 -8.98631 -11.168 8.94511 -44.0064 -12.0074 -44.3935 -3.9881 TIMING: 4363600 CPU: 13867, 0.00318913/step Wall: 13867, 0.00318913/step, 0.563767 hours remaining, 237.843750 MB of memory in use. ENERGY: 4363600 3992.1329 20441.6051 14486.0407 258.9539 -202637.5328 2156.7797 0.0000 0.0000 51916.8490 -109385.1715 298.3668 -161302.0205 -109016.4316 299.3423 -225.3776 -201.1368 761758.7018 -2.5094 -2.4569 PRESSURE: 4363800 245.31 155.222 97.4622 155.221 3.18501 -18.9122 97.4624 -18.9117 1.71027 GPRESSURE: 4363800 295.917 184.887 89.0342 213.821 -16.5843 10.0227 65.9282 127.756 39.967 PRESSAVG: 4363800 73.694 31.6606 -12.7514 31.6606 -6.22095 7.34319 -12.7514 7.34326 14.5586 GPRESSAVG: 4363800 74.7122 32.0192 -13.4313 33.5476 -5.80498 7.3749 -13.4895 6.04992 12.7497 TIMING: 4363800 CPU: 13867.6, 0.00315122/step Wall: 13867.6, 0.00315122/step, 0.55689 hours remaining, 237.843750 MB of memory in use. ENERGY: 4363800 4053.9764 20500.7694 14487.5781 243.4622 -203011.0788 2364.3863 0.0000 0.0000 51953.3173 -109407.5891 298.5764 -161360.9065 -109061.6347 299.3061 83.4018 106.4332 761647.7761 27.3439 27.2189 PRESSURE: 4364000 -475.399 -85.6927 13.7915 -85.6922 -93.1637 114.035 13.7918 114.032 -109.699 GPRESSURE: 4364000 -347.836 -103.215 93.247 16.446 -82.6715 149.168 19.5312 31.209 -131.828 PRESSAVG: 4364000 5.3706 -23.6793 -36.8003 -23.6792 19.0825 -12.8564 -36.8003 -12.8565 -11.0616 GPRESSAVG: 4364000 5.65182 -23.8485 -34.4549 -23.9191 19.1883 -11.8222 -38.031 -14.2105 -11.0099 TIMING: 4364000 CPU: 13868.2, 0.00318132/step Wall: 13868.2, 0.00318132/step, 0.562033 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4364000 3992.7993 20437.8805 14357.9142 243.1053 -203138.0157 2532.6631 0.0000 0.0000 52026.3069 -109547.3464 298.9959 -161573.6532 -109190.2209 298.9752 -226.0873 -187.4451 761065.3066 4.4638 4.6101 PRESSURE: 4364200 -38.958 364.225 -340.217 364.225 -186.376 21.571 -340.217 21.5718 -168.267 GPRESSURE: 4364200 3.96436 341.82 -279.102 355.239 -167.807 -47.938 -294.986 -3.32592 -141.968 PRESSAVG: 4364200 14.4577 -35.8063 -4.86939 -35.8062 -6.93862 -38.4001 -4.86932 -38.4001 -9.14251 GPRESSAVG: 4364200 13.639 -34.893 -5.20183 -37.841 -7.36193 -40.8274 -3.67503 -36.5424 -7.66883 TIMING: 4364200 CPU: 13868.9, 0.00318351/step Wall: 13868.9, 0.00318351/step, 0.562244 hours remaining, 237.843750 MB of memory in use. ENERGY: 4364200 4066.1477 20513.0815 14338.0033 223.9997 -203146.3062 2156.9757 0.0000 0.0000 52086.2674 -109761.8310 299.3405 -161848.0984 -109399.2437 299.4649 -131.2005 -101.9371 760558.8099 -0.5411 -0.4639 LDB: ============= START OF LOAD BALANCING ============== 13881.3 LDB: ============== END OF LOAD BALANCING =============== 13881.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13881.3 LDB: ============= START OF LOAD BALANCING ============== 13881.6 LDB: Largest compute 7075 load 0.034645 is 17.7% of average load 0.195963 LDB: Average compute 0.004399 is 2.2% of average load 0.195963 LDB: TIME 13881.6 LOAD: AVG 0.195963 MAX 0.217215 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 13881.6 LOAD: AVG 0.195963 MAX 0.217215 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 13881.6 LOAD: AVG 0.195963 MAX 0.217215 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 13881.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13881.6 PRESSURE: 4364400 -2.90244 1.33106 -155.175 1.33133 50.2454 17.2777 -155.175 17.2766 -90.4808 GPRESSURE: 4364400 44.9847 -23.7567 -192.549 -155.163 9.01346 26.0227 -130.531 -27.7892 -0.344024 PRESSAVG: 4364400 -29.1719 -34.0577 15.9998 -34.0577 24.044 -0.0589094 15.9998 -0.0588569 1.85047 GPRESSAVG: 4364400 -29.0121 -34.0748 14.9877 -34.7021 25.0125 -0.664424 16.5286 0.0650588 1.08621 TIMING: 4364400 CPU: 13869.5, 0.00325544/step Wall: 13869.5, 0.00325544/step, 0.574767 hours remaining, 238.613281 MB of memory in use. ENERGY: 4364400 3956.3596 20352.8244 14347.5909 250.3215 -203364.9625 2543.1928 0.0000 0.0000 52172.2192 -109742.4541 299.8345 -161914.6733 -109375.8534 299.2245 -14.3793 17.8847 759913.5852 -1.0925 -0.9711 PRESSURE: 4364600 -116.345 -68.2873 -189.465 -68.2883 -401.277 -4.66662 -189.464 -4.66571 -33.1765 GPRESSURE: 4364600 -159.616 -25.1457 -269.604 -26.8439 -315.525 -14.5152 -263.133 -59.0465 10.5887 PRESSAVG: 4364600 -22.3506 2.2935 -64.1116 2.29351 7.54934 9.48124 -64.1116 9.48126 26.699 GPRESSAVG: 4364600 -21.8823 3.33065 -64.5673 3.5294 7.12744 11.4999 -64.5208 9.25259 26.1293 TIMING: 4364600 CPU: 13870.2, 0.00321762/step Wall: 13870.2, 0.00321762/step, 0.567909 hours remaining, 238.613281 MB of memory in use. ENERGY: 4364600 3988.9417 20298.4034 14391.3659 236.2231 -203474.4614 2530.3318 0.0000 0.0000 52050.6656 -109978.5298 299.1359 -162029.1954 -109622.0856 298.9131 -183.5995 -154.8505 760970.0762 3.9659 3.7915 PRESSURE: 4364800 -168.333 -19.2996 -13.3229 -19.2989 83.7545 165.035 -13.3219 165.036 16.2562 GPRESSURE: 4364800 -113.179 79.2782 1.81165 -74.1509 134.045 136.452 -52.1738 182.161 -19.2951 PRESSAVG: 4364800 32.9904 -28.9547 -60.3062 -28.9547 -31.0452 -48.1835 -60.3062 -48.1836 21.4841 GPRESSAVG: 4364800 33.4367 -29.0267 -59.0034 -28.7471 -31.6538 -48.7598 -61.6553 -47.9318 21.8076 TIMING: 4364800 CPU: 13870.8, 0.00316968/step Wall: 13870.8, 0.00316968/step, 0.559272 hours remaining, 238.613281 MB of memory in use. ENERGY: 4364800 3992.0198 20468.9398 14393.8389 244.3547 -203567.7907 2483.6163 0.0000 0.0000 51958.9609 -110026.0604 298.6089 -161985.0212 -109655.3454 298.4023 -22.7742 0.5237 761305.5698 7.8098 7.8635 PRESSURE: 4365000 87.2152 266.259 136.339 266.259 -373.796 288.626 136.339 288.626 383.276 GPRESSURE: 4365000 114.561 303.812 100.407 162.17 -302.725 285.016 324.656 104.442 355.639 PRESSAVG: 4365000 -18.1757 -9.71956 -28.5817 -9.71959 -26.4156 36.7188 -28.5817 36.7188 -16.9471 GPRESSAVG: 4365000 -17.6292 -9.62911 -30.4821 -9.17179 -26.8517 36.5072 -27.1591 36.0951 -16.9129 TIMING: 4365000 CPU: 13871.4, 0.00318891/step Wall: 13871.4, 0.00318891/step, 0.562487 hours remaining, 238.613281 MB of memory in use. ENERGY: 4365000 3974.9173 20465.8112 14396.2659 230.2789 -203802.6689 2872.1121 0.0000 0.0000 51966.7213 -109896.5622 298.6535 -161863.2836 -109538.3637 298.5507 32.2318 55.8250 760497.0011 -20.5128 -20.4646 PRESSURE: 4365200 215.374 -182.787 190.698 -182.788 -39.2463 -29.0138 190.699 -29.014 -266.721 GPRESSURE: 4365200 278.285 -164.025 211.218 -254.122 -28.3508 -45.2648 174.463 -57.1174 -251.209 PRESSAVG: 4365200 66.0774 63.3754 37.5721 63.3754 -47.3577 -26.9435 37.5721 -26.9434 10.0092 GPRESSAVG: 4365200 66.6734 62.4617 37.544 65.8332 -48.6905 -26.5526 38.8369 -27.1715 11.2626 TIMING: 4365200 CPU: 13872.1, 0.00320573/step Wall: 13872.1, 0.00320573/step, 0.565277 hours remaining, 238.613281 MB of memory in use. ENERGY: 4365200 4007.9964 20536.1806 14383.8459 235.3655 -203569.7248 2598.8167 0.0000 0.0000 51894.5940 -109912.9257 298.2389 -161807.5197 -109556.6800 298.6344 -30.1979 -0.4249 760148.2081 9.5763 9.7485 PRESSURE: 4365400 250.558 62.9425 -59.8824 62.942 215.781 283.648 -59.8835 283.648 179.347 GPRESSURE: 4365400 188.719 31.4568 9.75606 24.799 271.355 341.967 105.384 354.335 250.109 PRESSAVG: 4365400 2.76099 -30.6962 17.8014 -30.6962 9.39464 -22.2726 17.8014 -22.2725 5.45369 GPRESSAVG: 4365400 2.26861 -29.9824 17.5099 -33.8586 11.4843 -22.3789 17.0121 -22.243 4.12794 TIMING: 4365400 CPU: 13872.7, 0.0032085/step Wall: 13872.7, 0.0032085/step, 0.565588 hours remaining, 238.613281 MB of memory in use. ENERGY: 4365400 3969.8866 20467.4526 14414.3786 241.9539 -203549.1300 2687.0948 0.0000 0.0000 51830.3844 -109937.9791 297.8699 -161768.3635 -109577.6795 298.1169 215.2287 236.7275 760428.1734 5.8698 5.9603 PRESSURE: 4365600 8.26479 -139.858 167.238 -139.857 152.655 -129.879 167.238 -129.879 84.0601 GPRESSURE: 4365600 40.7417 -147.189 193.055 -114.708 170.656 -179.148 223.304 -53.6778 119.172 PRESSAVG: 4365600 32.5197 -45.0917 3.25943 -45.0917 -19.7851 -38.0341 3.25943 -38.034 -4.79224 GPRESSAVG: 4365600 32.6945 -46.3947 4.07565 -43.9779 -20.2177 -40.7614 3.7754 -36.6961 -4.6051 TIMING: 4365600 CPU: 13873.4, 0.00319469/step Wall: 13873.4, 0.00319469/step, 0.562975 hours remaining, 238.613281 MB of memory in use. ENERGY: 4365600 4017.6339 20473.0084 14443.2502 240.3730 -203046.6223 2274.1260 0.0000 0.0000 51812.7798 -109785.4510 297.7688 -161598.2308 -109423.7538 298.5505 81.6600 110.1900 760611.0655 2.6475 2.6239 PRESSURE: 4365800 -201.683 42.0597 63.0302 42.059 -133.085 165.687 63.03 165.687 -351.905 GPRESSURE: 4365800 -126.546 136.422 122.954 105.916 -118.973 128.443 -41.8446 284.645 -359.332 PRESSAVG: 4365800 37.2292 26.5808 22.5166 26.5808 -11.9877 -8.64461 22.5166 -8.64462 21.5574 GPRESSAVG: 4365800 37.3805 28.3272 24.2169 25.5358 -12.0395 -6.02929 21.8258 -9.65836 21.2957 TIMING: 4365800 CPU: 13874, 0.00319297/step Wall: 13874, 0.00319297/step, 0.562495 hours remaining, 238.613281 MB of memory in use. ENERGY: 4365800 3951.3583 20446.9578 14390.6033 231.7556 -203169.2588 2405.5557 0.0000 0.0000 51879.1278 -109863.9002 298.1501 -161743.0281 -109499.4620 298.1517 -228.8910 -201.6172 761413.0635 15.5996 15.5456 PRESSURE: 4366000 200.475 -31.9106 85.8471 -31.9105 -19.5676 -67.5698 85.847 -67.5698 133.545 GPRESSURE: 4366000 202.436 25.5419 53.5553 66.3134 80.8597 53.387 -38.7218 -40.3229 111.137 PRESSAVG: 4366000 4.57054 12.3861 -1.29332 12.3861 9.05288 16.4862 -1.29331 16.4862 1.44484 GPRESSAVG: 4366000 5.15884 11.593 -1.8794 14.3218 10.0269 14.9745 -1.28982 17.6714 0.350243 TIMING: 4366000 CPU: 13874.6, 0.0031713/step Wall: 13874.6, 0.0031713/step, 0.558501 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4366000 4001.4718 20443.8919 14466.7624 231.7384 -203519.8119 2782.9754 0.0000 0.0000 51879.0700 -109713.9020 298.1497 -161592.9720 -109351.0450 298.3914 104.8176 131.4775 760930.3206 5.0228 5.1787 PRESSURE: 4366200 -92.1998 107.921 -154.787 107.922 -143.731 -41.1868 -154.788 -41.1867 -540.967 GPRESSURE: 4366200 -91.4807 143.107 -118.566 -8.61134 -98.7672 -47.0168 -9.21601 -50.8201 -506.993 PRESSAVG: 4366200 -22.1085 29.6711 15.271 29.6711 -3.25481 -27.9219 15.2711 -27.922 -0.578996 GPRESSAVG: 4366200 -22.9884 29.3177 15.2935 28.437 -3.90637 -27.1 16.6686 -29.1429 1.25945 TIMING: 4366200 CPU: 13875.3, 0.00318588/step Wall: 13875.3, 0.00318588/step, 0.560893 hours remaining, 238.613281 MB of memory in use. ENERGY: 4366200 4057.7874 20327.2664 14422.5173 235.1257 -203399.1958 2599.2491 0.0000 0.0000 52087.7749 -109669.4750 299.3492 -161757.2499 -109311.3781 298.6643 -258.9660 -232.4137 761414.8725 -8.6474 -8.5451 PRESSURE: 4366400 -98.2289 -68.6058 -112.173 -68.6061 -64.0488 -200.315 -112.174 -200.316 -774.706 GPRESSURE: 4366400 -14.5152 -111.729 -162.283 1.03745 -112.044 -106.938 -11.2395 -198.74 -735.446 PRESSAVG: 4366400 12.1388 -61.8352 -20.3249 -61.8353 -31.3579 -25.3232 -20.3249 -25.3232 -13.3668 GPRESSAVG: 4366400 11.9494 -61.9117 -19.428 -60.5223 -31.3331 -24.7665 -20.6062 -25.1851 -13.0984 TIMING: 4366400 CPU: 13875.9, 0.0032215/step Wall: 13875.9, 0.0032215/step, 0.566984 hours remaining, 238.613281 MB of memory in use. ENERGY: 4366400 3955.9006 20584.9519 14439.3011 253.5547 -203075.5362 2397.4383 0.0000 0.0000 51693.3188 -109751.0709 297.0822 -161444.3897 -109388.8399 298.6343 -312.3278 -287.3349 761206.1395 -10.8620 -10.8274 PRESSURE: 4366600 -38.818 -99.3127 -10.9253 -99.3128 -98.5323 162.297 -10.9253 162.297 40.6139 GPRESSURE: 4366600 -56.0525 -168.162 1.58988 -61.2117 -63.9125 77.6341 -22.4322 105.702 106.025 PRESSAVG: 4366600 -37.9921 -33.9231 -3.35543 -33.9231 4.59078 -8.57306 -3.35537 -8.573 -1.45536 GPRESSAVG: 4366600 -38.1316 -34.5968 -4.78165 -33.4446 4.98478 -7.85579 -2.99127 -9.16982 -1.4151 TIMING: 4366600 CPU: 13876.5, 0.00320091/step Wall: 13876.5, 0.00320091/step, 0.563182 hours remaining, 238.613281 MB of memory in use. ENERGY: 4366600 4010.6239 20561.7291 14423.2248 251.5181 -203348.1457 2579.7882 0.0000 0.0000 51801.5756 -109719.6859 297.7044 -161521.2615 -109366.2259 298.2845 -32.2454 -4.6468 760815.5915 -11.6189 -11.5206 PRESSURE: 4366800 -88.3897 9.41399 107.651 9.41359 233.209 -5.96901 107.651 -5.96898 187.254 GPRESSURE: 4366800 -15.5541 -71.2197 10.4306 74.049 252.371 8.95408 165.255 -46.2431 171.131 PRESSAVG: 4366800 13.6981 -33.3694 -12.1388 -33.3694 7.44914 3.11626 -12.1388 3.11625 -11.4178 GPRESSAVG: 4366800 14.6009 -31.8164 -12.7868 -37.2649 7.94949 1.76593 -15.4374 3.54586 -12.4209 TIMING: 4366800 CPU: 13877.2, 0.00320868/step Wall: 13877.2, 0.00320868/step, 0.564371 hours remaining, 238.613281 MB of memory in use. ENERGY: 4366800 3965.5516 20557.2585 14427.7112 262.8208 -203750.7800 2801.5509 0.0000 0.0000 52005.1593 -109730.7277 298.8744 -161735.8870 -109378.6970 298.8125 110.6912 135.9826 760094.5849 3.2431 3.3765 PRESSURE: 4367000 418.233 -34.963 -20.8489 -34.9634 -128.696 30.2278 -20.8485 30.2288 21.3686 GPRESSURE: 4367000 442.645 65.3615 -96.9874 -117.128 -87.6259 75.5029 14.892 160.511 35.2451 PRESSAVG: 4367000 40.49 -23.6369 59.2089 -23.6369 -13.0311 -26.3034 59.2089 -26.3034 -0.911399 GPRESSAVG: 4367000 40.3893 -24.7369 59.3806 -22.117 -13.3197 -24.6529 61.1055 -27.6588 0.144526 TIMING: 4367000 CPU: 13877.8, 0.0032027/step Wall: 13877.8, 0.0032027/step, 0.563142 hours remaining, 238.613281 MB of memory in use. ENERGY: 4367000 3964.2961 20381.2899 14421.9405 233.1440 -203498.9588 2621.8582 0.0000 0.0000 52192.0581 -109684.3719 299.9485 -161876.4300 -109317.2088 299.0131 103.6351 130.0882 760434.4320 8.8492 9.0714 PRESSURE: 4367200 65.0905 46.304 -97.8254 46.3039 128.106 -37.5304 -97.8259 -37.5302 39.1616 GPRESSURE: 4367200 85.4506 97.4624 -7.097 57.8184 212.289 -5.8593 -131.727 -53.8263 14.5806 PRESSAVG: 4367200 -6.64046 -19.1696 56.3356 -19.1696 2.90877 -20.6786 56.3356 -20.6785 6.12261 GPRESSAVG: 4367200 -6.7221 -16.2816 58.5885 -18.5256 3.42169 -22.2967 55.8622 -18.7268 5.40823 TIMING: 4367200 CPU: 13878.5, 0.00321298/step Wall: 13878.5, 0.00321298/step, 0.56477 hours remaining, 238.613281 MB of memory in use. ENERGY: 4367200 3970.5961 20500.8515 14430.7678 246.7614 -203842.8596 2839.6138 0.0000 0.0000 52179.1845 -109675.0844 299.8745 -161854.2689 -109312.4480 298.8952 77.4527 104.1068 759915.2378 0.7970 0.7026 PRESSURE: 4367400 -409.678 163.106 -154.33 163.107 -154.565 120.265 -154.33 120.265 -160.432 GPRESSURE: 4367400 -320.349 147.086 -197.252 62.0713 -133.095 131.468 -235.854 173.881 -176.413 PRESSAVG: 4367400 -36.3428 25.4239 27.9301 25.4239 28.6338 -12.5486 27.9301 -12.5486 0.0446218 GPRESSAVG: 4367400 -35.7849 23.7782 26.6147 26.6202 28.1455 -11.5884 29.0329 -12.6645 -0.549113 TIMING: 4367400 CPU: 13879.1, 0.00319942/step Wall: 13879.1, 0.00319942/step, 0.562209 hours remaining, 238.613281 MB of memory in use. ENERGY: 4367400 4001.0088 20508.4436 14453.7814 222.4481 -203291.0356 2566.4672 0.0000 0.0000 52126.2732 -109412.6133 299.5704 -161538.8865 -109049.8416 299.3517 -241.5585 -209.9524 762031.7307 -2.5548 -2.7295 PRESSURE: 4367600 305.015 -9.69901 -104.199 -9.69897 292.949 12.1681 -104.198 12.17 321.402 GPRESSURE: 4367600 357.039 49.581 -75.2641 -91.2892 323.763 23.5588 -74.9715 6.44534 321.69 PRESSAVG: 4367600 2.65574 26.6734 17.7012 26.6732 57.6875 36.7169 17.7011 36.7169 -1.20316 GPRESSAVG: 4367600 1.32584 27.8807 16.99 24.6541 59.4715 34.1502 17.0042 36.2813 -1.89872 TIMING: 4367600 CPU: 13879.8, 0.00320419/step Wall: 13879.8, 0.00320419/step, 0.56287 hours remaining, 238.613281 MB of memory in use. ENERGY: 4367600 4027.9047 20414.6226 14393.1869 238.4533 -203494.0512 3007.1034 0.0000 0.0000 52099.9764 -109312.8038 299.4193 -161412.7802 -108943.8961 299.7808 306.4554 334.1641 760174.8089 19.7134 19.6329 PRESSURE: 4367800 60.3372 -179.768 -253.223 -179.766 -98.4936 -56.586 -253.223 -56.5863 -338.454 GPRESSURE: 4367800 62.7383 -194.125 -187.968 -88.9249 -108.175 -53.7367 -170.492 111.751 -264.102 PRESSAVG: 4367800 -11.3462 -41.9149 -56.8978 -41.915 83.6948 -4.59085 -56.8978 -4.59085 7.04574 GPRESSAVG: 4367800 -10.3265 -43.0664 -54.7854 -39.6115 81.2906 -4.67411 -57.1568 -4.27244 7.6204 TIMING: 4367800 CPU: 13880.4, 0.00318052/step Wall: 13880.4, 0.00318052/step, 0.558534 hours remaining, 238.613281 MB of memory in use. ENERGY: 4367800 3999.5415 20696.7348 14426.6427 256.1537 -203450.6426 2391.6408 0.0000 0.0000 52280.0719 -109399.8571 300.4543 -161679.9290 -109044.0965 299.6469 -125.5367 -103.1796 758771.0872 26.4648 26.1948 PRESSURE: 4368000 135.8 -177.566 55.6202 -177.566 294.537 38.8749 55.6198 38.8746 -125.678 GPRESSURE: 4368000 191.052 -72.2051 42.4993 -209.961 294.02 103.084 51.5011 -46.7102 -85.4719 PRESSAVG: 4368000 3.8501 5.95569 25.1858 5.95564 30.2399 26.0994 25.1857 26.0994 -16.7073 GPRESSAVG: 4368000 3.79642 4.81598 23.0597 5.30049 29.8582 29.6497 25.4923 24.006 -15.8119 TIMING: 4368000 CPU: 13881, 0.00317753/step Wall: 13881, 0.00317754/step, 0.557834 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4368000 4009.4427 20673.7223 14395.2214 253.4466 -203841.4268 2928.6548 0.0000 0.0000 51901.9310 -109679.0079 298.2811 -161580.9389 -109323.2347 299.1160 101.5530 133.1997 761212.2316 5.7943 5.9476 PRESSURE: 4368200 -329.079 -114.217 -7.56551 -114.216 -234.413 -11.2183 -7.56574 -11.2185 -154.725 GPRESSURE: 4368200 -308.368 -213.555 -28.4297 29.672 -152.391 5.40971 74.7138 10.4297 -199.685 PRESSAVG: 4368200 -22.0559 -45.2414 37.5045 -45.2414 17.2527 19.0422 37.5046 19.0422 -25.4791 GPRESSAVG: 4368200 -21.3673 -43.2737 38.4469 -48.5722 17.2623 16.2582 37.066 21.0857 -26.3837 TIMING: 4368200 CPU: 13881.7, 0.00319115/step Wall: 13881.7, 0.00319115/step, 0.560047 hours remaining, 238.613281 MB of memory in use. ENERGY: 4368200 4022.8576 20549.1582 14356.0121 243.7372 -203211.7037 2372.2307 0.0000 0.0000 52035.6598 -109632.0481 299.0497 -161667.7079 -109262.5760 298.8289 -239.4057 -220.1480 761141.9149 -10.0941 -10.1629 LDB: ============= START OF LOAD BALANCING ============== 13894.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13894.1 LDB: =============== DONE WITH MIGRATION ================ 13894.1 LDB: ============= START OF LOAD BALANCING ============== 13894.4 LDB: Largest compute 7058 load 0.034913 is 17.8% of average load 0.196020 LDB: Average compute 0.004386 is 2.2% of average load 0.196020 LDB: TIME 13894.4 LOAD: AVG 0.19602 MAX 0.218773 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.992 MB LDB: TIME 13894.4 LOAD: AVG 0.19602 MAX 0.218773 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 13894.4 LOAD: AVG 0.19602 MAX 0.218677 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 13894.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13894.4 PRESSURE: 4368400 -111.945 158.563 -162.11 158.562 328.656 170.178 -162.109 170.176 -405.518 GPRESSURE: 4368400 -52.9991 153.768 -94.5281 32.7326 281.419 143.737 -189.137 180.826 -331.489 PRESSAVG: 4368400 20.3738 -72.1659 -30.2672 -72.1659 11.4835 27.2553 -30.2672 27.2552 -0.888887 GPRESSAVG: 4368400 20.2189 -73.2309 -29.5089 -70.93 11.12 27.6982 -32.0861 27.7181 -0.939724 TIMING: 4368400 CPU: 13882.3, 0.00327033/step Wall: 13882.3, 0.00327033/step, 0.573761 hours remaining, 237.902344 MB of memory in use. ENERGY: 4368400 3951.2805 20640.5337 14416.2965 231.0584 -203325.1504 2510.9887 0.0000 0.0000 51764.4570 -109810.5356 297.4910 -161574.9926 -109448.2950 299.3342 -62.9360 -34.3564 761969.4621 10.3228 10.1331 PRESSURE: 4368600 126.728 -72.881 -134.133 -72.8818 -363.605 -163.737 -134.133 -163.738 -178.08 GPRESSURE: 4368600 148.904 -76.6073 -167.003 -19.2375 -269.575 -148.712 -168.363 -128.917 -190.606 PRESSAVG: 4368600 7.19994 9.0272 -47.3316 9.02713 -9.64209 -27.0555 -47.3316 -27.0555 -1.94653 GPRESSAVG: 4368600 7.52957 8.21708 -48.4269 12.2047 -8.95735 -26.1958 -45.8638 -28.369 -1.65546 TIMING: 4368600 CPU: 13883, 0.00320495/step Wall: 13883, 0.00320495/step, 0.562113 hours remaining, 237.902344 MB of memory in use. ENERGY: 4368600 3986.3078 20465.1032 14430.0749 259.0567 -204010.4746 2809.8640 0.0000 0.0000 52188.9418 -109871.1262 299.9306 -162060.0680 -109512.8340 298.8884 -138.3190 -103.7590 762169.7980 -1.4629 -1.0277 PRESSURE: 4368800 -78.8375 -232.182 -25.6093 -232.182 -368.781 -285.211 -25.609 -285.211 -131.366 GPRESSURE: 4368800 -104.059 -161.88 27.2022 -218.805 -275.484 -325.068 -13.2204 -193.202 -113.294 PRESSAVG: 4368800 2.9161 -25.775 -17.7896 -25.7751 -5.48024 6.66355 -17.7896 6.66344 -11.7043 GPRESSAVG: 4368800 3.01296 -24.3324 -18.4266 -28.7445 -6.23906 5.48405 -13.8862 7.70656 -11.0976 TIMING: 4368800 CPU: 13883.6, 0.00320191/step Wall: 13883.6, 0.00320191/step, 0.561402 hours remaining, 237.902344 MB of memory in use. ENERGY: 4368800 3975.4093 20564.3574 14334.4931 243.2393 -203258.2326 2447.3108 0.0000 0.0000 52006.2345 -109687.1882 298.8805 -161693.4227 -109331.6039 299.0384 -192.9948 -164.2789 762363.9861 -4.7561 -4.7746 PRESSURE: 4369000 -400.9 104.15 150.478 104.149 34.5077 -31.8251 150.479 -31.8243 39.2874 GPRESSURE: 4369000 -198.843 86.037 192.335 116.435 19.4778 -101.753 56.4844 7.34821 -28.924 PRESSAVG: 4369000 -17.2912 -58.9662 7.29032 -58.9662 37.9016 5.88384 7.29032 5.88392 -15.9642 GPRESSAVG: 4369000 -15.5603 -60.098 9.25519 -58.5222 37.871 5.49755 3.38376 5.32205 -17.1996 TIMING: 4369000 CPU: 13884.2, 0.00320387/step Wall: 13884.2, 0.00320387/step, 0.561567 hours remaining, 237.902344 MB of memory in use. ENERGY: 4369000 3925.8870 20436.5700 14448.1263 244.7604 -203167.7273 2495.8791 0.0000 0.0000 52014.0518 -109602.4526 298.9255 -161616.5044 -109243.3408 298.7247 -109.0349 -69.4296 761209.7168 1.5487 1.7037 PRESSURE: 4369200 -138.078 -133.074 125.281 -133.074 -200.304 137.354 125.281 137.355 -91.4727 GPRESSURE: 4369200 -152.175 -114.675 78.8443 -86.2909 -126.76 136.095 167.512 326.182 -67.8854 PRESSAVG: 4369200 -53.3705 -13.2476 22.9839 -13.2476 43.1402 44.9979 22.9839 44.9979 18.827 GPRESSAVG: 4369200 -55.3526 -12.0904 21.6645 -13.0133 44.5935 44.4912 24.2488 45.7489 18.7299 TIMING: 4369200 CPU: 13884.9, 0.00320422/step Wall: 13884.9, 0.00320422/step, 0.561451 hours remaining, 237.902344 MB of memory in use. ENERGY: 4369200 4017.6714 20487.6226 14376.8368 241.4614 -203154.8892 2661.4670 0.0000 0.0000 51896.4931 -109473.3368 298.2499 -161369.8299 -109117.9347 298.5063 -143.2850 -115.6068 764366.9487 2.8655 2.6569 PRESSURE: 4369400 -29.7146 -61.5289 42.2504 -61.5283 5.07934 286.65 42.2515 286.65 507.343 GPRESSURE: 4369400 47.6786 -121.616 -33.6342 -134.408 50.7997 357.036 97.7025 242.151 442.479 PRESSAVG: 4369400 -6.94132 -44.0527 40.6925 -44.0526 10.669 10.9874 40.6925 10.9873 2.41786 GPRESSAVG: 4369400 -6.18689 -45.3305 41.2474 -44.1806 9.5733 11.7565 40.6329 11.774 2.20266 TIMING: 4369400 CPU: 13885.5, 0.00319834/step Wall: 13885.5, 0.00319834/step, 0.560243 hours remaining, 237.902344 MB of memory in use. ENERGY: 4369400 3980.8500 20464.6885 14348.9984 241.1083 -203513.5422 2715.1000 0.0000 0.0000 52130.8424 -109631.9546 299.5967 -161762.7970 -109270.1513 298.7465 160.9025 180.3190 762731.2005 2.0485 1.8630 PRESSURE: 4369600 272.56 43.9811 78.3044 43.981 75.0154 70.1448 78.3034 70.1445 36.0707 GPRESSURE: 4369600 351.473 166.071 -20.831 52.1479 132.447 13.9089 83.4268 48.7713 -5.33499 PRESSAVG: 4369600 65.8318 -4.4635 19.1945 -4.46347 -8.58883 -4.60681 19.1944 -4.60682 -4.71636 GPRESSAVG: 4369600 65.9837 -4.24334 19.0541 -4.55777 -8.04808 -4.37723 19.6067 -6.305 -5.55215 TIMING: 4369600 CPU: 13886.2, 0.00320645/step Wall: 13886.2, 0.00320645/step, 0.561485 hours remaining, 237.902344 MB of memory in use. ENERGY: 4369600 3930.0038 20314.8426 14372.1420 234.8721 -203427.1418 2644.7217 0.0000 0.0000 52096.0502 -109834.5095 299.3967 -161930.5596 -109473.5994 298.5332 127.8819 159.5281 760194.6420 17.5089 17.4612 PRESSURE: 4369800 -229.341 25.2547 80.9048 25.2551 11.2836 97.6487 80.9045 97.6483 227.419 GPRESSURE: 4369800 -123.744 2.61011 66.2629 113.842 13.8616 34.2736 65.5228 71.0683 229.373 PRESSAVG: 4369800 13.5966 -8.87892 -28.6704 -8.87887 17.9704 12.3591 -28.6703 12.3591 -1.93161 GPRESSAVG: 4369800 13.8249 -7.66249 -28.0187 -8.8911 16.2657 11.392 -29.269 13.2072 -0.15593 TIMING: 4369800 CPU: 13886.8, 0.00317376/step Wall: 13886.8, 0.00317376/step, 0.555585 hours remaining, 237.902344 MB of memory in use. ENERGY: 4369800 3976.8015 20354.2773 14435.2832 238.2879 -203376.4004 2720.7632 0.0000 0.0000 51936.1118 -109714.8754 298.4775 -161650.9872 -109365.7910 298.3843 3.1207 39.8300 761535.8283 9.8785 9.9782 PRESSURE: 4370000 -169.102 29.935 -21.5864 29.9354 54.3944 64.3647 -21.5866 64.3652 -252.236 GPRESSURE: 4370000 -197.55 -132.346 -89.9034 35.3153 141.67 93.5083 90.9142 -68.9971 -208.574 PRESSAVG: 4370000 18.56 -22.1924 24.2536 -22.1924 27.7415 14.8461 24.2536 14.8462 -10.3684 GPRESSAVG: 4370000 17.8922 -24.1409 24.5211 -21.3264 27.052 15.2383 26.5038 14.8692 -9.50394 TIMING: 4370000 CPU: 13887.4, 0.0031723/step Wall: 13887.4, 0.0031723/step, 0.555152 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4370000 3964.9464 20344.0023 14451.9367 250.7964 -203034.8019 2327.0618 0.0000 0.0000 51910.7913 -109785.2671 298.3320 -161696.0584 -109422.2456 298.3562 -122.3146 -88.1512 760569.2245 11.9777 11.8134 PRESSURE: 4370200 130.552 15.6195 -84.7463 15.6191 552.145 -136.215 -84.7456 -136.215 4.10947 GPRESSURE: 4370200 210.697 -97.6253 -150.867 -25.4893 485.215 -136.275 77.1991 -158.103 56.6433 PRESSAVG: 4370200 -9.71274 -49.1402 -45.9818 -49.1402 41.5748 -4.06746 -45.9819 -4.0675 -19.3851 GPRESSAVG: 4370200 -9.31324 -48.2407 -47.2757 -50.0704 42.0727 -4.65351 -47.5698 -4.18256 -20.3607 TIMING: 4370200 CPU: 13888.1, 0.00318722/step Wall: 13888.1, 0.00318722/step, 0.557586 hours remaining, 237.902344 MB of memory in use. ENERGY: 4370200 3960.2799 20476.0034 14416.2838 218.2065 -203588.0136 2622.9515 0.0000 0.0000 52114.7388 -109779.5498 299.5041 -161894.2886 -109412.8710 298.7471 228.9353 250.8520 759802.7643 4.1590 4.1329 PRESSURE: 4370400 -84.8318 147.019 -141.284 147.02 -303.571 -272.904 -141.284 -272.904 -149.661 GPRESSURE: 4370400 9.57783 155.319 -162.233 197.881 -235.084 -210.178 -140.305 -354.152 -232.946 PRESSAVG: 4370400 11.8204 -25.1021 -28.7482 -25.1021 -27.6483 46.1838 -28.7482 46.1838 -12.1873 GPRESSAVG: 4370400 12.3918 -25.6028 -29.12 -25.3027 -27.488 47.2204 -28.5087 45.8585 -12.9981 TIMING: 4370400 CPU: 13888.7, 0.00319414/step Wall: 13888.7, 0.00319414/step, 0.55862 hours remaining, 237.902344 MB of memory in use. ENERGY: 4370400 3886.0172 20532.9842 14372.9612 239.5969 -203061.9737 2205.5931 0.0000 0.0000 52065.5430 -109759.2781 299.2214 -161824.8211 -109411.9903 298.5817 -179.3546 -152.8174 762170.7123 -9.3384 -9.3648 PRESSURE: 4370600 -369.029 -206.118 146.275 -206.117 -199.999 73.7242 146.275 73.7241 74.8719 GPRESSURE: 4370600 -378.944 -235.325 211.388 -150.115 -102.934 76.8224 -18.2411 -152.827 73.7026 PRESSAVG: 4370600 15.0846 -49.9286 34.0398 -49.9285 -16.3917 -33.6257 34.0398 -33.6257 -7.84509 GPRESSAVG: 4370600 15.0463 -51.2592 36.9598 -48.715 -17.3116 -32.4551 31.8458 -35.1459 -6.38023 TIMING: 4370600 CPU: 13889.3, 0.00320609/step Wall: 13889.3, 0.00320609/step, 0.560531 hours remaining, 237.902344 MB of memory in use. ENERGY: 4370600 4026.7471 20367.6304 14407.0714 237.7690 -203319.3850 2464.6429 0.0000 0.0000 51965.2513 -109850.2730 298.6450 -161815.5243 -109492.1102 298.4864 -164.7186 -136.0584 761778.2088 -3.0507 -2.8818 PRESSURE: 4370800 -61.2617 -22.1524 143.263 -22.1531 -114.494 -279.894 143.264 -279.893 137.746 GPRESSURE: 4370800 22.5708 -0.346395 145.229 -37.3652 -53.4074 -245.911 193.912 -187.715 97.3252 PRESSAVG: 4370800 2.24075 8.14023 -29.576 8.14024 -3.30049 -17.793 -29.5759 -17.7931 6.66992 GPRESSAVG: 4370800 2.00742 10.4025 -30.0471 7.49933 -2.28901 -16.8031 -28.5165 -19.54 6.37285 TIMING: 4370800 CPU: 13890, 0.00323617/step Wall: 13890, 0.00323617/step, 0.565611 hours remaining, 237.902344 MB of memory in use. ENERGY: 4370800 3979.1344 20458.9145 14444.5054 260.3377 -203317.0441 2379.7652 0.0000 0.0000 51891.7546 -109902.6323 298.2226 -161794.3869 -109540.0208 298.8410 -12.6699 22.1629 761017.6837 1.8701 2.0304 PRESSURE: 4371000 -170.788 -144.637 -44.3373 -144.637 -326.889 25.6832 -44.338 25.6836 280.406 GPRESSURE: 4371000 -55.393 -210.906 51.3867 -109.542 -343.055 11.4495 -49.9604 98.2548 258.43 PRESSAVG: 4371000 7.18756 -43.2054 -3.6976 -43.2054 9.65129 -33.5899 -3.69767 -33.5898 -11.8303 GPRESSAVG: 4371000 7.92503 -43.0113 -3.59499 -43.9937 8.96742 -35.7924 -1.00747 -29.4918 -11.3963 TIMING: 4371000 CPU: 13890.6, 0.00323411/step Wall: 13890.6, 0.00323411/step, 0.565071 hours remaining, 237.902344 MB of memory in use. ENERGY: 4371000 3937.9513 20422.6037 14430.8652 236.2000 -202894.2922 2145.2342 0.0000 0.0000 51798.0931 -109923.3447 297.6844 -161721.4378 -109563.9397 297.9331 -72.4237 -46.6728 761815.9913 1.6695 1.8321 PRESSURE: 4371200 137.867 -87.3428 -8.67146 -87.3433 196.541 -44.3482 -8.67049 -44.349 -49.4277 GPRESSURE: 4371200 181.553 -135.096 48.8859 -90.8785 176.46 -40.5876 179.688 -94.5963 17.0671 PRESSAVG: 4371200 8.8496 -34.5853 38.9814 -34.5853 22.4939 22.9626 38.9814 22.9627 14.5181 GPRESSAVG: 4371200 9.4752 -36.3117 37.4066 -33.8102 22.5816 22.9224 39.8561 22.9713 14.3514 TIMING: 4371200 CPU: 13891.3, 0.00320585/step Wall: 13891.3, 0.00320585/step, 0.559955 hours remaining, 237.902344 MB of memory in use. ENERGY: 4371200 3920.1559 20393.6535 14461.0410 251.1224 -203672.9401 2788.1221 0.0000 0.0000 52042.3234 -109816.5219 299.0879 -161858.8453 -109451.0661 298.1317 94.9935 125.0267 759962.4144 15.2872 15.4694 PRESSURE: 4371400 -75.6271 -91.7193 144.892 -91.7189 -151.429 -29.4312 144.892 -29.4308 236.083 GPRESSURE: 4371400 -21.4994 -148.472 213.779 -188.652 -135.416 -44.1199 -13.6353 1.83584 236.491 PRESSAVG: 4371400 -18.6429 -4.569 47.5827 -4.56901 9.39921 33.0135 47.5827 33.0135 0.451578 GPRESSAVG: 4371400 -18.1273 -3.55621 48.443 -3.34014 9.02113 33.7095 45.1402 30.8264 0.737544 TIMING: 4371400 CPU: 13891.9, 0.00322768/step Wall: 13891.9, 0.00322768/step, 0.56359 hours remaining, 237.902344 MB of memory in use. ENERGY: 4371400 3983.1300 20521.3758 14346.2900 246.6339 -203492.9757 2716.6762 0.0000 0.0000 52074.2025 -109604.6673 299.2712 -161678.8698 -109240.5497 298.4354 3.0089 26.5253 761867.3928 -2.9307 -2.7895 PRESSURE: 4371600 102.338 170.396 159.946 170.396 -271.73 -82.6583 159.945 -82.6591 272.33 GPRESSURE: 4371600 96.6548 268.256 110.247 227.963 -180.207 -109.613 53.3295 -35.4981 259.873 PRESSAVG: 4371600 -18.0869 -1.37997 41.5075 -1.37996 14.1045 30.2303 41.5074 30.2302 -12.4341 GPRESSAVG: 4371600 -19.6842 -1.84162 40.5293 -5.23652 14.6479 29.7641 42.5948 30.8311 -11.7008 TIMING: 4371600 CPU: 13892.6, 0.00318047/step Wall: 13892.6, 0.00318047/step, 0.555168 hours remaining, 237.902344 MB of memory in use. ENERGY: 4371600 3952.4218 20339.1888 14477.3972 255.2161 -203136.6395 2450.5618 0.0000 0.0000 51972.2381 -109689.6159 298.6852 -161661.8539 -109320.2632 298.8377 34.3129 58.7738 760410.3880 -5.4722 -5.5790 PRESSURE: 4371800 140.253 5.05244 -2.36157 5.05155 209.758 -139.261 -2.3607 -139.26 21.6476 GPRESSURE: 4371800 159.975 6.7892 32.9333 52.2139 232.746 -152.793 96.2343 -59.2267 62.941 PRESSAVG: 4371800 -20.7828 -15.349 41.6937 -15.349 21.6058 13.2326 41.6936 13.2327 7.22167 GPRESSAVG: 4371800 -20.4472 -15.4226 41.5565 -11.1684 21.7903 13.1383 41.9109 14.62 6.53131 TIMING: 4371800 CPU: 13893.2, 0.00319217/step Wall: 13893.2, 0.00319217/step, 0.557034 hours remaining, 237.902344 MB of memory in use. ENERGY: 4371800 3972.7913 20589.0029 14418.7927 228.8387 -203405.7227 2694.7953 0.0000 0.0000 51911.3809 -109590.1210 298.3354 -161501.5019 -109225.1288 298.4479 123.8863 151.8871 761650.4691 2.6816 2.6248 PRESSURE: 4372000 -180.006 89.4162 -200.12 89.4161 -151.839 -7.31746 -200.12 -7.31786 53.1461 GPRESSURE: 4372000 -66.5018 17.2365 -221.838 118.733 -191.56 -0.170586 -10.1957 -54.59 56.5336 PRESSAVG: 4372000 -25.3325 23.4224 27.7717 23.4224 -25.863 -49.9768 27.7717 -49.9768 3.68512 GPRESSAVG: 4372000 -23.9757 22.6028 27.7864 22.2319 -26.1723 -50.27 27.2638 -47.8261 3.2553 TIMING: 4372000 CPU: 13893.8, 0.00317727/step Wall: 13893.8, 0.00317727/step, 0.554257 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4372000 3983.4963 20445.8111 14423.8178 247.2677 -202930.7478 2335.3861 0.0000 0.0000 51841.4130 -109653.5558 297.9333 -161494.9688 -109297.5478 298.6244 -92.8998 -67.1759 761435.0342 -15.8368 -15.6309 PRESSURE: 4372200 -344.043 -86.2975 50.9851 -86.2984 -36.7499 12.7088 50.9852 12.7099 -60.8826 GPRESSURE: 4372200 -348.463 -90.8622 24.7873 -120.036 -2.27684 -3.51658 97.3518 147.224 -6.43739 PRESSAVG: 4372200 -24.279 -30.4273 17.0608 -30.4273 5.55953 -45.8776 17.0607 -45.8776 -25.316 GPRESSAVG: 4372200 -25.1543 -29.3032 20.122 -30.3202 6.02473 -46.7372 17.2141 -46.8658 -25.4142 TIMING: 4372200 CPU: 13894.5, 0.00319526/step Wall: 13894.5, 0.00319526/step, 0.557218 hours remaining, 237.902344 MB of memory in use. ENERGY: 4372200 3995.2340 20402.0181 14378.0283 236.9944 -203250.1621 2457.3947 0.0000 0.0000 52031.2600 -109749.2325 299.0244 -161780.4925 -109390.8382 298.4135 -147.2251 -119.0592 762192.8418 -14.6785 -14.8479 LDB: ============= START OF LOAD BALANCING ============== 13906.9 LDB: ============== END OF LOAD BALANCING =============== 13906.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13906.9 LDB: ============= START OF LOAD BALANCING ============== 13907.2 LDB: Largest compute 7048 load 0.035223 is 17.9% of average load 0.196241 LDB: Average compute 0.004359 is 2.2% of average load 0.196241 LDB: TIME 13907.2 LOAD: AVG 0.196241 MAX 0.218607 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 13907.2 LOAD: AVG 0.196241 MAX 0.218607 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 13907.2 LOAD: AVG 0.196241 MAX 0.218607 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: ============== END OF LOAD BALANCING =============== 13907.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13907.2 PRESSURE: 4372400 -335.297 -247.655 -17.6927 -247.655 -108.005 130.077 -17.6922 130.077 152.817 GPRESSURE: 4372400 -342.914 -222.591 -53.8547 -126.183 -46.0309 91.793 33.8342 87.7579 160.868 PRESSAVG: 4372400 -50.3417 -21.8201 0.254059 -21.8201 43.4971 -24.2124 0.254045 -24.2124 8.30417 GPRESSAVG: 4372400 -49.8085 -21.1868 -2.72054 -23.4674 43.2841 -23.5249 2.08591 -23.8144 7.91196 TIMING: 4372400 CPU: 13895.1, 0.0032515/step Wall: 13895.1, 0.0032515/step, 0.566845 hours remaining, 239.359375 MB of memory in use. ENERGY: 4372400 3986.5882 20636.5395 14358.9223 247.2915 -203809.6118 2931.0624 0.0000 0.0000 51866.4173 -109782.7906 298.0770 -161649.2079 -109437.8962 298.7227 -96.8282 -76.0256 762409.3528 0.4865 0.4625 PRESSURE: 4372600 -367.174 55.2947 195.347 55.2953 230.175 -45.0125 195.347 -45.0129 273.507 GPRESSURE: 4372600 -273.295 -43.794 156.08 131.363 215.873 -87.0776 185.443 -219.453 262.218 PRESSAVG: 4372600 -9.99179 -8.38236 32.8175 -8.38236 0.995305 -0.617381 32.8175 -0.617384 -2.94541 GPRESSAVG: 4372600 -10.3584 -7.50538 32.9162 -6.30396 1.51877 -1.46903 33.3937 -1.81843 -3.17201 TIMING: 4372600 CPU: 13895.8, 0.00316012/step Wall: 13895.8, 0.00316012/step, 0.550739 hours remaining, 239.359375 MB of memory in use. ENERGY: 4372600 3960.5100 20547.8154 14420.7626 229.4656 -203223.7754 2246.7590 0.0000 0.0000 51928.7703 -109889.6924 298.4354 -161818.4626 -109531.6789 298.0752 45.5024 68.2653 760359.4017 -3.9806 -4.0039 PRESSURE: 4372800 -57.0935 6.57471 300.894 6.57474 -149.207 280.925 300.896 280.926 125.891 GPRESSURE: 4372800 3.31016 -29.0006 279.589 -7.13877 -160.634 283.781 174.158 293.327 148.927 PRESSAVG: 4372800 -46.8861 30.9885 -27.4217 30.9886 3.0793 8.88838 -27.4218 8.88841 -18.7947 GPRESSAVG: 4372800 -45.6671 30.8895 -26.8413 27.6346 1.9734 8.4846 -30.6798 10.6209 -18.372 TIMING: 4372800 CPU: 13896.4, 0.00318768/step Wall: 13896.4, 0.00318768/step, 0.555365 hours remaining, 239.359375 MB of memory in use. ENERGY: 4372800 3912.2366 20472.8997 14449.2399 241.6819 -203570.8436 2646.4294 0.0000 0.0000 52161.9571 -109686.3990 299.7755 -161848.3560 -109325.3270 298.3594 -26.8033 -2.7992 761063.3995 -20.8671 -20.6886 PRESSURE: 4373000 -200.822 -290.796 -157.651 -290.796 1.66442 -87.9832 -157.651 -87.9835 -254.681 GPRESSURE: 4373000 -164.916 -206.904 -167.21 -203.112 31.7968 -89.3272 -119.89 -102.631 -230.578 PRESSAVG: 4373000 -31.0436 -34.3825 41.2937 -34.3824 23.5257 -3.28891 41.2937 -3.28888 2.67136 GPRESSAVG: 4373000 -32.4431 -34.2702 40.6967 -32.6433 24.1405 -1.9006 43.41 -4.12004 3.63495 TIMING: 4373000 CPU: 13897, 0.0031712/step Wall: 13897, 0.0031712/step, 0.552317 hours remaining, 239.359375 MB of memory in use. ENERGY: 4373000 3963.9989 20555.3713 14470.2801 223.0984 -203387.3961 2534.5042 0.0000 0.0000 51997.6829 -109642.4604 298.8314 -161640.1433 -109281.5983 298.4042 -151.2794 -121.2321 761993.7314 -1.6155 -1.5559 PRESSURE: 4373200 -0.673705 138.604 180.071 138.603 22.246 179.756 180.071 179.755 -319.182 GPRESSURE: 4373200 15.5454 60.567 170.225 -13.0006 53.8663 178.829 72.2059 121.063 -279.928 PRESSAVG: 4373200 29.5459 -2.94738 0.355623 -2.94733 -39.9663 26.5122 0.355635 26.5123 -4.80547 GPRESSAVG: 4373200 29.9661 -3.24187 1.78879 -3.60993 -39.0347 26.1406 -1.74415 23.0596 -6.11357 TIMING: 4373200 CPU: 13897.7, 0.00317447/step Wall: 13897.7, 0.00317447/step, 0.552711 hours remaining, 239.359375 MB of memory in use. ENERGY: 4373200 4044.6245 20670.0212 14519.0005 227.1407 -203149.7834 2240.6504 0.0000 0.0000 51871.5032 -109576.8429 298.1062 -161448.3461 -109214.7142 298.8416 -99.2032 -70.1721 761144.0587 -5.0753 -5.0607 PRESSURE: 4373400 -59.7171 -96.4501 -122.104 -96.4498 -118.797 -56.8571 -122.104 -56.8569 118.833 GPRESSURE: 4373400 -15.9342 -76.0513 -160.643 -120.413 -36.7555 -56.7838 1.28286 -36.8424 94.687 PRESSAVG: 4373400 -29.3887 -58.0531 0.69575 -58.0531 55.8212 -3.66416 0.695672 -3.66416 -16.5247 GPRESSAVG: 4373400 -30.3219 -60.1257 0.999129 -55.7653 56.1483 -5.48899 1.90156 -2.05824 -15.8866 TIMING: 4373400 CPU: 13898.3, 0.00317012/step Wall: 13898.3, 0.00317012/step, 0.551777 hours remaining, 239.359375 MB of memory in use. ENERGY: 4373400 4004.9103 20396.3870 14500.2389 257.0740 -203575.4340 2825.7411 0.0000 0.0000 52077.3548 -109513.7279 299.2893 -161591.0827 -109150.4277 299.1023 -19.8936 13.9991 761047.0751 3.3026 3.3133 PRESSURE: 4373600 -166.298 134.928 -64.8894 134.928 34.4512 -164.28 -64.8899 -164.281 -562.496 GPRESSURE: 4373600 -104.821 68.0083 -26.3481 60.0084 139.287 -155.164 -103.118 -71.9354 -636.056 PRESSAVG: 4373600 30.6898 -63.9243 -27.9174 -63.9243 -24.9214 -50.1356 -27.9174 -50.1355 -16.5564 GPRESSAVG: 4373600 31.0397 -60.7054 -27.3062 -66.0609 -23.1163 -47.6265 -29.8263 -50.2356 -18.1781 TIMING: 4373600 CPU: 13898.9, 0.00319842/step Wall: 13898.9, 0.00319842/step, 0.556524 hours remaining, 239.359375 MB of memory in use. ENERGY: 4373600 4026.8672 20651.8818 14438.9777 260.2004 -203919.0082 2785.7599 0.0000 0.0000 51994.3565 -109760.9647 298.8123 -161755.3212 -109403.0038 298.6269 -231.4474 -200.5300 760062.6042 -3.5960 -3.4183 PRESSURE: 4373800 -174.879 66.2411 125.065 66.2412 -506.378 -146.566 125.065 -146.566 -390.445 GPRESSURE: 4373800 -174.827 2.10447 75.1531 5.54678 -491.53 -181.071 82.6615 -84.871 -339.137 PRESSAVG: 4373800 3.40935 -55.5094 15.9837 -55.5094 2.6725 1.13511 15.9836 1.13511 7.15952 GPRESSAVG: 4373800 4.20034 -56.5943 13.8575 -56.4206 0.107499 0.768786 16.9453 0.0842126 8.73133 TIMING: 4373800 CPU: 13899.6, 0.00318577/step Wall: 13899.6, 0.00318577/step, 0.554146 hours remaining, 239.359375 MB of memory in use. ENERGY: 4373800 3952.5910 20633.0782 14459.6302 241.0906 -203327.1137 2370.5290 0.0000 0.0000 52002.6457 -109667.5490 298.8599 -161670.1947 -109304.3777 298.6643 -357.2341 -335.1645 762800.2215 4.4138 4.3464 PRESSURE: 4374000 -84.0624 146.871 -64.6993 146.871 -81.7106 -13.4591 -64.6995 -13.4595 -525.645 GPRESSURE: 4374000 -49.0895 139.838 17.497 11.1451 -116.429 -78.6587 -70.8214 -27.0929 -431.194 PRESSAVG: 4374000 -5.73826 26.2231 64.8756 26.2231 -36.3881 -42.4008 64.8756 -42.4007 -9.46216 GPRESSAVG: 4374000 -5.36221 26.886 64.3566 26.238 -36.4825 -42.7723 65.3045 -41.6791 -9.1289 TIMING: 4374000 CPU: 13900.2, 0.00316949/step Wall: 13900.2, 0.00316949/step, 0.55114 hours remaining, 239.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4374000 4114.6119 20524.2297 14459.3341 251.7116 -203321.2401 2523.9305 0.0000 0.0000 51715.2487 -109732.1736 297.2082 -161447.4223 -109371.8527 298.6335 -230.4726 -198.9041 761234.8775 -17.1962 -16.9912 PRESSURE: 4374200 72.9889 -222.098 204.7 -222.098 -263.746 52.3311 204.701 52.3316 15.7029 GPRESSURE: 4374200 182.344 -211.684 263.055 -146.494 -206.958 52.7126 170.606 16.8541 -50.9105 PRESSAVG: 4374200 21.9805 -8.46091 31.589 -8.46096 -14.1814 -7.34873 31.589 -7.3487 -7.07459 GPRESSAVG: 4374200 21.6884 -8.94971 31.637 -5.97932 -13.4347 -8.01946 32.9565 -5.20325 -7.66426 TIMING: 4374200 CPU: 13900.9, 0.00318609/step Wall: 13900.9, 0.00318609/step, 0.553849 hours remaining, 239.359375 MB of memory in use. ENERGY: 4374200 3991.1549 20456.4983 14443.0484 251.1285 -203432.2266 2532.3384 0.0000 0.0000 52013.3006 -109744.7575 298.9212 -161758.0581 -109385.4813 298.2821 -58.3515 -25.1748 761301.7342 0.2415 0.1965 PRESSURE: 4374400 -9.12884 -9.43063 -38.4082 -9.43114 -78.6 210.257 -38.4076 210.256 0.746813 GPRESSURE: 4374400 5.78491 59.3454 -45.2407 -86.7794 -30.4738 108.827 0.929863 128.304 24.7107 PRESSAVG: 4374400 28.7913 -106.471 62.2312 -106.471 -62.4545 -5.99459 62.2312 -5.99471 22.3335 GPRESSAVG: 4374400 28.5236 -107.75 62.5945 -108.747 -62.912 -4.49259 61.3214 -7.02003 23.2916 TIMING: 4374400 CPU: 13901.5, 0.00317472/step Wall: 13901.5, 0.00317472/step, 0.551696 hours remaining, 239.359375 MB of memory in use. ENERGY: 4374400 3983.8744 20384.3863 14371.7712 253.7031 -203465.0939 2656.6389 0.0000 0.0000 51676.4786 -110138.2413 296.9854 -161814.7199 -109789.6943 298.2709 -28.9940 0.0073 762321.9743 -3.7766 -3.6989 PRESSURE: 4374600 248.294 -74.2477 -95.6409 -74.2479 -202.646 89.1993 -95.6409 89.1993 -459.662 GPRESSURE: 4374600 142.391 -10.6082 -111.36 -118.494 -75.7841 109.415 -43.9566 -80.6121 -381.26 PRESSAVG: 4374600 44.0658 -20.8709 -5.092 -20.8709 -67.7538 19.5975 -5.09202 19.5975 -1.5036 GPRESSAVG: 4374600 43.6682 -20.9854 -3.74757 -19.7366 -66.5684 18.4181 -6.32443 19.5457 -2.02292 TIMING: 4374600 CPU: 13902.1, 0.00319394/step Wall: 13902.1, 0.00319394/step, 0.554858 hours remaining, 239.359375 MB of memory in use. ENERGY: 4374600 3994.2015 20543.1070 14417.2216 252.8567 -203528.6022 2482.7078 0.0000 0.0000 51710.3988 -110128.1089 297.1804 -161838.5076 -109792.6050 297.6017 -138.0045 -104.8843 761704.4320 -8.3972 -8.3077 PRESSURE: 4374800 135.04 -12.004 -28.9252 -12.0039 -320.91 -164.456 -28.9252 -164.457 -271.287 GPRESSURE: 4374800 142.451 49.2451 30.1484 34.2136 -336.539 -147.289 -75.8223 -97.1193 -179.166 PRESSAVG: 4374800 29.1865 -13.6101 28.1001 -13.6101 -54.3639 -4.5932 28.1001 -4.59321 -9.33165 GPRESSAVG: 4374800 29.3445 -13.1725 27.8912 -12.5167 -55.0181 -3.87737 28.973 -4.69146 -9.18974 TIMING: 4374800 CPU: 13902.8, 0.00320038/step Wall: 13902.8, 0.00320037/step, 0.555798 hours remaining, 239.359375 MB of memory in use. ENERGY: 4374800 4011.6494 20394.2879 14445.6921 258.8491 -203888.2071 2742.8539 0.0000 0.0000 52003.9626 -110030.9120 298.8675 -162034.8746 -109668.1617 298.2043 -152.3858 -124.4179 761580.9913 -11.5030 -11.6211 PRESSURE: 4375000 -83.8737 14.9873 -155.979 14.988 -266.681 186.127 -155.979 186.127 179.66 GPRESSURE: 4375000 -129.779 104.286 -73.3853 19.4385 -82.7683 186.755 -206.196 203.806 162.585 PRESSAVG: 4375000 -8.83478 -56.8209 35.9378 -56.8209 -3.82355 35.7005 35.9377 35.7005 6.84138 GPRESSAVG: 4375000 -9.57243 -55.5576 35.3168 -58.3602 -2.10563 37.5077 36.4324 34.581 6.46691 TIMING: 4375000 CPU: 13903.4, 0.0031858/step Wall: 13903.4, 0.0031858/step, 0.553091 hours remaining, 239.359375 MB of memory in use. ENERGY: 4375000 4068.4396 20306.3074 14427.1888 241.3301 -204135.8399 2831.8528 0.0000 0.0000 51966.3821 -110294.3391 298.6515 -162260.7212 -109932.0015 298.4633 -56.9648 -16.6543 759581.5042 -1.9390 -1.7371 PRESSURE: 4375200 -313.717 11.7878 144.427 11.7867 -198.805 95.0274 144.428 95.0271 337.972 GPRESSURE: 4375200 -240.82 -30.6867 131.285 -52.6518 -107.41 95.2094 118.8 78.9409 262.452 PRESSAVG: 4375200 5.80618 -28.4602 7.44422 -28.4602 3.35636 15.595 7.44414 15.595 -10.4332 GPRESSAVG: 4375200 7.35041 -28.4857 9.72233 -29.4295 1.70587 14.5096 5.40449 17.737 -9.55443 TIMING: 4375200 CPU: 13904, 0.00319677/step Wall: 13904, 0.00319677/step, 0.554818 hours remaining, 239.359375 MB of memory in use. ENERGY: 4375200 3994.0580 20363.4827 14385.6994 233.8992 -203301.4636 2323.8765 0.0000 0.0000 52040.8317 -109959.6161 299.0794 -162000.4478 -109596.5265 297.7625 -58.1832 -28.5928 761191.5847 -0.4236 -0.1661 PRESSURE: 4375400 -149.827 -4.79933 -232.853 -4.79956 -8.27641 -11.3808 -232.852 -11.382 78.8669 GPRESSURE: 4375400 -172.036 -60.1919 -321.71 -21.1503 83.041 -63.9638 -123.768 -30.6155 94.6392 PRESSAVG: 4375400 -88.8493 8.33286 -33.2161 8.3329 78.4319 26.3935 -33.2162 26.3935 2.84969 GPRESSAVG: 4375400 -87.6243 9.50438 -34.2356 9.3288 78.6396 26.3337 -30.6809 24.9154 1.25778 TIMING: 4375400 CPU: 13904.7, 0.00321721/step Wall: 13904.7, 0.00321721/step, 0.558185 hours remaining, 239.359375 MB of memory in use. ENERGY: 4375400 3987.3408 20440.2438 14451.3707 231.8521 -203316.5242 2508.9061 0.0000 0.0000 51982.3248 -109714.4859 298.7431 -161696.8107 -109353.5507 298.5331 -26.4120 1.8815 761292.0682 -2.5225 -2.5756 PRESSURE: 4375600 -71.1925 39.6944 -30.1667 39.6941 35.9879 -28.5755 -30.1664 -28.5768 -95.9486 GPRESSURE: 4375600 81.3741 8.41151 -88.2976 119.049 3.99867 -47.9191 84.718 9.08171 -133.815 PRESSAVG: 4375600 3.82121 -11.0994 4.30669 -11.0993 3.50148 32.5732 4.30669 32.5731 -4.87824 GPRESSAVG: 4375600 2.39659 -13.6012 3.76039 -11.2343 4.60989 31.8008 2.93326 31.6877 -4.33401 TIMING: 4375600 CPU: 13905.3, 0.00320286/step Wall: 13905.3, 0.00320286/step, 0.555518 hours remaining, 239.359375 MB of memory in use. ENERGY: 4375600 3959.4582 20530.4695 14307.6216 254.3868 -203395.0128 2529.1960 0.0000 0.0000 52136.5766 -109677.3042 299.6296 -161813.8808 -109321.4468 299.2332 -43.7177 -16.1476 760722.5389 0.8148 0.8908 PRESSURE: 4375800 -130.994 -76.8798 -180.098 -76.88 109.945 196.755 -180.098 196.755 38.7814 GPRESSURE: 4375800 -144.333 -46.8809 -224.959 62.4925 102.166 255.386 -187.646 190.092 135.854 PRESSAVG: 4375800 -57.3539 -55.2116 -47.5972 -55.2116 48.1891 102.96 -47.5972 102.96 -11.9099 GPRESSAVG: 4375800 -57.5071 -52.3306 -46.2226 -55.6586 47.4217 101.508 -47.0813 103.95 -11.1606 TIMING: 4375800 CPU: 13906, 0.00318226/step Wall: 13906, 0.00318226/step, 0.551768 hours remaining, 239.359375 MB of memory in use. ENERGY: 4375800 3980.5785 20557.5445 14413.3299 241.0873 -203191.4635 2463.0097 0.0000 0.0000 52046.3184 -109489.5951 299.1109 -161535.9135 -109134.4134 299.1715 5.9109 31.2291 760898.2679 -7.0249 -7.0820 PRESSURE: 4376000 290.273 -83.1219 -73.0557 -83.1223 -16.9946 58.4356 -73.056 58.4339 6.69742 GPRESSURE: 4376000 277.709 -200.461 -108.635 -140.054 104.237 34.1917 -43.0223 -9.16055 -7.85886 PRESSAVG: 4376000 -39.9371 -69.0195 -16.6577 -69.0196 8.96005 22.3272 -16.6576 22.3272 22.7232 GPRESSAVG: 4376000 -39.8826 -71.9142 -18.5029 -66.7396 9.06959 22.6616 -17.6935 22.7932 22.3828 TIMING: 4376000 CPU: 13906.6, 0.00318359/step Wall: 13906.6, 0.00318359/step, 0.551822 hours remaining, 239.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4376000 3926.1385 20403.0724 14436.7431 242.7389 -203196.1005 2715.5009 0.0000 0.0000 52033.3155 -109438.5913 299.0362 -161471.9068 -109090.3825 299.1874 93.3252 124.6955 762531.2819 -2.7513 -2.8101 PRESSURE: 4376200 -88.9538 -1.1838 286.244 -1.1841 72.2686 45.0302 286.244 45.0301 38.4975 GPRESSURE: 4376200 -86.8696 -8.7182 134.127 23.0275 202.659 -1.2448 205.39 63.0713 -21.9515 PRESSAVG: 4376200 16.0851 -124.801 -7.03792 -124.801 -21.7721 -17.8565 -7.03789 -17.8566 -19.5758 GPRESSAVG: 4376200 15.6649 -125.488 -5.68773 -125.873 -22.0801 -17.1387 -7.48233 -17.8999 -19.4267 TIMING: 4376200 CPU: 13907.2, 0.00317425/step Wall: 13907.2, 0.00317425/step, 0.550027 hours remaining, 239.359375 MB of memory in use. ENERGY: 4376200 3910.1133 20515.1745 14381.7800 232.6853 -202882.4494 2412.3167 0.0000 0.0000 51743.8321 -109686.5475 297.3725 -161430.3796 -109317.3931 299.0263 7.2708 31.2794 762428.1491 -8.4209 -8.6140 LDB: ============= START OF LOAD BALANCING ============== 13919.6 LDB: ============== END OF LOAD BALANCING =============== 13919.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13919.6 LDB: ============= START OF LOAD BALANCING ============== 13919.9 LDB: Largest compute 7075 load 0.035121 is 17.9% of average load 0.196014 LDB: Average compute 0.004400 is 2.2% of average load 0.196014 LDB: TIME 13920 LOAD: AVG 0.196014 MAX 0.216343 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.969 MB LDB: TIME 13920 LOAD: AVG 0.196014 MAX 0.216343 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.023 MB LDB: TIME 13920 LOAD: AVG 0.196014 MAX 0.216343 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.023 MB LDB: ============== END OF LOAD BALANCING =============== 13920 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13920 PRESSURE: 4376400 130.758 14.0528 91.7254 14.0532 99.3262 90.8562 91.7263 90.8564 -222.149 GPRESSURE: 4376400 245.699 12.4503 128.531 -77.0104 90.5159 56.2963 59.9993 154.774 -226.292 PRESSAVG: 4376400 -23.236 -87.8658 -20.6704 -87.8657 17.9577 21.842 -20.6704 21.842 19.9654 GPRESSAVG: 4376400 -23.2641 -85.5173 -23.329 -87.4532 18.2046 21.5008 -17.2507 19.9939 20.3222 TIMING: 4376400 CPU: 13907.9, 0.00322586/step Wall: 13907.9, 0.00322586/step, 0.558791 hours remaining, 237.332031 MB of memory in use. ENERGY: 4376400 4006.9804 20409.5514 14460.4602 243.4126 -203785.9348 2707.8216 0.0000 0.0000 52260.3744 -109697.3343 300.3411 -161957.7087 -109336.3254 298.1520 2.6453 36.6409 760942.0029 4.8957 5.0876 PRESSURE: 4376600 -390.585 -139.333 37.0491 -139.332 98.4961 160.597 37.0488 160.599 370.623 GPRESSURE: 4376600 -361.976 -202.707 42.5933 -46.3296 115.717 230.619 -105.299 235.533 416.521 PRESSAVG: 4376600 -65.3307 -134.89 3.67935 -134.89 67.6006 2.91811 3.67931 2.91814 -35.1231 GPRESSAVG: 4376600 -64.9331 -133.441 5.76309 -135.645 67.3249 3.38984 2.18782 3.1037 -35.2061 TIMING: 4376600 CPU: 13908.5, 0.0031645/step Wall: 13908.5, 0.0031645/step, 0.547986 hours remaining, 237.535156 MB of memory in use. ENERGY: 4376600 3869.0907 20480.1183 14439.4635 249.7703 -203756.3614 2784.7584 0.0000 0.0000 52089.8012 -109843.3589 299.3608 -161933.1602 -109478.4060 298.5375 26.1783 56.7541 759766.5704 -10.9510 -10.9381 PRESSURE: 4376800 -246.671 63.1148 -65.4733 63.1145 -399.692 -47.1053 -65.4738 -47.1058 -148.891 GPRESSURE: 4376800 -208.847 4.90257 -107.476 76.9827 -378.062 -98.2428 34.4321 58.8708 -106.597 PRESSAVG: 4376800 2.95899 -68.0619 -44.4146 -68.0619 29.1411 -1.29392 -44.4145 -1.29391 15.3582 GPRESSAVG: 4376800 3.01974 -69.7477 -44.5228 -70.2491 28.5215 -0.412536 -44.6131 0.724825 15.8076 TIMING: 4376800 CPU: 13909.1, 0.00316742/step Wall: 13909.1, 0.00316742/step, 0.548315 hours remaining, 237.535156 MB of memory in use. ENERGY: 4376800 3990.4237 20516.0764 14470.1687 231.1483 -203098.5051 2102.8757 0.0000 0.0000 51957.5138 -109830.2984 298.6005 -161787.8123 -109472.2173 298.8261 -265.0848 -231.1688 761238.6245 15.8194 15.7830 PRESSURE: 4377000 25.2347 -48.0098 -39.8844 -48.0097 99.2349 -103.955 -39.8849 -103.955 424.112 GPRESSURE: 4377000 23.6078 6.61468 -72.8596 -72.7983 148.852 -53.6834 -70.2351 -102.659 462.115 PRESSAVG: 4377000 -16.8276 -32.5259 -64.2522 -32.5259 -11.0124 20.8562 -64.2522 20.8563 3.38106 GPRESSAVG: 4377000 -17.545 -32.0514 -65.0736 -31.3054 -10.7095 20.2306 -65.3574 20.0953 3.40041 TIMING: 4377000 CPU: 13909.8, 0.00316638/step Wall: 13909.8, 0.00316638/step, 0.54796 hours remaining, 237.535156 MB of memory in use. ENERGY: 4377000 4001.3355 20589.5241 14497.2543 230.5813 -203444.5925 2525.3240 0.0000 0.0000 51889.3952 -109711.1781 298.2091 -161600.5733 -109364.1933 298.6202 182.8607 211.5248 760795.4469 -8.1530 -8.2847 PRESSURE: 4377200 -119.685 -41.2011 -78.2663 -41.201 217.058 -55.6537 -78.266 -55.6541 83.9727 GPRESSURE: 4377200 14.0858 63.0064 -165.512 -15.1407 176.004 -118.595 -53.9553 -129.8 68.3338 PRESSAVG: 4377200 -1.73616 -23.6368 -0.476891 -23.6368 23.9945 2.53332 -0.476898 2.53331 -9.53111 GPRESSAVG: 4377200 -1.89624 -23.3357 0.249499 -22.7001 23.9738 1.86755 0.586268 2.84909 -10.0116 TIMING: 4377200 CPU: 13910.4, 0.00318657/step Wall: 13910.4, 0.00318657/step, 0.551277 hours remaining, 237.535156 MB of memory in use. ENERGY: 4377200 3948.2441 20681.3994 14523.0215 256.3910 -203541.5059 2795.8345 0.0000 0.0000 51730.8794 -109605.7360 297.2981 -161336.6154 -109253.4148 298.9970 60.4487 86.1411 761414.4929 4.2424 4.0220 PRESSURE: 4377400 208.792 28.1731 -109.812 28.1735 -3.52011 -40.1721 -109.812 -40.1725 130.524 GPRESSURE: 4377400 174.647 -30.4579 -131.714 -79.1471 76.1979 -79.3376 67.2003 58.8579 174.838 PRESSAVG: 4377400 -40.4813 -53.7464 -0.588952 -53.7464 60.1288 31.3103 -0.588967 31.3103 23.0876 GPRESSAVG: 4377400 -40.924 -54.5973 -1.01706 -53.2976 61.0587 32.8933 -1.59016 31.4191 22.6111 TIMING: 4377400 CPU: 13911, 0.00315807/step Wall: 13911, 0.00315807/step, 0.546171 hours remaining, 237.535156 MB of memory in use. ENERGY: 4377400 3977.1453 20516.7418 14498.6508 246.7202 -203383.4588 2698.7481 0.0000 0.0000 52153.4692 -109291.9834 299.7267 -161445.4525 -108923.4190 298.6941 111.9321 141.8941 762963.0661 14.2451 14.2486 PRESSURE: 4377600 313.998 254.865 -56.6279 254.867 -344.231 -78.2649 -56.6283 -78.2653 -101.376 GPRESSURE: 4377600 300.602 53.6802 -131.984 132.551 -309.568 -103.717 -9.56241 -137.13 -40.8533 PRESSAVG: 4377600 -2.41908 -70.6279 -21.4536 -70.628 28.2432 -21.8516 -21.4536 -21.8515 -9.16995 GPRESSAVG: 4377600 -2.68292 -71.1907 -20.317 -72.8877 27.7969 -22.5103 -20.3386 -22.2462 -8.44962 TIMING: 4377600 CPU: 13911.7, 0.0031765/step Wall: 13911.7, 0.00317651/step, 0.549183 hours remaining, 237.535156 MB of memory in use. ENERGY: 4377600 3974.0333 20463.7116 14487.1115 238.1074 -203559.9923 2775.3075 0.0000 0.0000 52065.3630 -109556.3581 299.2204 -161621.7211 -109192.4391 299.2132 -43.8695 -16.6062 761009.3101 5.5514 5.5548 PRESSURE: 4377800 -172.579 -50.6929 -108.418 -50.6931 120.524 175.359 -108.418 175.36 339.71 GPRESSURE: 4377800 -121.038 7.65227 -191.167 -14.64 114.75 51.2868 -21.8498 132.593 382.39 PRESSAVG: 4377800 30.0851 -33.8175 -10.6439 -33.8175 -40.7396 13.8245 -10.6439 13.8246 5.82053 GPRESSAVG: 4377800 31.0994 -33.8599 -12.2177 -31.1798 -40.5948 14.9003 -10.4405 12.1067 5.43269 TIMING: 4377800 CPU: 13912.3, 0.00315129/step Wall: 13912.3, 0.00315128/step, 0.544647 hours remaining, 237.535156 MB of memory in use. ENERGY: 4377800 3977.9082 20462.4078 14437.7108 232.8515 -203077.1334 2636.9989 0.0000 0.0000 51868.9225 -109460.3337 298.0914 -161329.2561 -109096.8874 299.0439 95.8851 125.3673 763850.5328 -1.6113 -1.3542 PRESSURE: 4378000 -272.924 -362.05 12.7083 -362.049 33.3633 -100.133 12.7078 -100.133 6.6302 GPRESSURE: 4378000 -134.372 -421.133 0.895289 -246.165 10.5005 -72.5442 -5.93629 11.7746 -14.5694 PRESSAVG: 4378000 -0.553951 -93.068 -44.9011 -93.068 19.1515 -1.57613 -44.901 -1.5761 -20.5341 GPRESSAVG: 4378000 -0.326827 -93.0021 -45.3656 -93.2282 19.2718 -3.53777 -44.0695 1.50471 -20.6036 TIMING: 4378000 CPU: 13912.9, 0.00315962/step Wall: 13912.9, 0.00315962/step, 0.545912 hours remaining, 237.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4378000 3989.7817 20471.5004 14482.5770 243.1980 -203093.5350 2561.1408 0.0000 0.0000 52140.8862 -109204.4508 299.6544 -161345.3370 -108845.3013 299.4894 -77.6434 -46.1469 762137.2173 -0.6455 -0.5529 PRESSURE: 4378200 357.837 117.741 -33.3233 117.742 116.641 -145.511 -33.3238 -145.511 384.405 GPRESSURE: 4378200 238.751 47.4804 -47.857 130.098 244.438 -100.385 5.42054 -188.19 440.423 PRESSAVG: 4378200 -1.42375 -34.7 76.7623 -34.7 11.6291 32.8275 76.7623 32.8276 -0.393204 GPRESSAVG: 4378200 -1.92392 -33.6602 76.9287 -34.9977 10.5346 33.6305 76.2115 30.8948 0.580465 TIMING: 4378200 CPU: 13913.6, 0.00316836/step Wall: 13913.6, 0.00316836/step, 0.547246 hours remaining, 237.535156 MB of memory in use. ENERGY: 4378200 3955.4273 20414.2978 14374.0147 232.6062 -203462.8182 2879.5484 0.0000 0.0000 52161.8927 -109445.0310 299.7751 -161606.9238 -109082.7837 299.5219 286.2944 307.8705 761423.2479 3.2707 3.0637 PRESSURE: 4378400 222.941 92.3255 -2.96898 92.3269 148.453 246.341 -2.96896 246.342 165.458 GPRESSURE: 4378400 189.637 95.5046 0.916279 160.506 197.817 193.491 -163.261 129.116 229.208 PRESSAVG: 4378400 -19.0614 -7.34213 37.2706 -7.34212 -15.9116 5.89833 37.2706 5.89833 14.3341 GPRESSAVG: 4378400 -18.0959 -10.4086 36.6334 -8.07752 -15.0751 5.07557 36.3731 6.10586 12.6305 TIMING: 4378400 CPU: 13914.2, 0.00318053/step Wall: 13914.2, 0.00318053/step, 0.549172 hours remaining, 237.535156 MB of memory in use. ENERGY: 4378400 3986.2578 20488.3168 14352.3871 252.4873 -203313.7579 2537.4053 0.0000 0.0000 51924.5839 -109772.3197 298.4113 -161696.9036 -109409.9300 298.8991 178.9507 205.5539 762293.6506 -6.8796 -6.8468 PRESSURE: 4378600 -264.473 -1.27464 62.5579 -1.27457 -39.365 78.7449 62.5575 78.7446 -246.521 GPRESSURE: 4378600 -273.444 34.9731 141.06 24.2332 8.75649 116.81 -54.8257 74.3266 -194.977 PRESSAVG: 4378600 -20.814 -71.8251 12.1172 -71.8251 9.46213 4.88756 12.1171 4.88755 9.75882 GPRESSAVG: 4378600 -22.4278 -69.4119 12.6121 -71.4878 9.59784 6.1948 11.9497 4.5145 11.4169 TIMING: 4378600 CPU: 13914.8, 0.00317117/step Wall: 13914.8, 0.00317117/step, 0.547379 hours remaining, 237.535156 MB of memory in use. ENERGY: 4378600 4021.7419 20314.0020 14352.3635 244.0256 -203485.6962 2578.7202 0.0000 0.0000 52186.4631 -109788.3798 299.9163 -161974.8429 -109435.3837 298.5815 -183.4533 -153.2214 763101.2594 -0.5310 -0.4710 PRESSURE: 4378800 199.116 -83.1607 -147.495 -83.1615 143.696 258.254 -147.495 258.255 -57.6966 GPRESSURE: 4378800 135.078 -40.7633 -10.2396 -165.206 159.586 249.755 -40.8529 253.669 50.6987 PRESSAVG: 4378800 -55.9043 -32.818 -12.5596 -32.818 26.7754 47.3706 -12.5596 47.3706 1.47632 GPRESSAVG: 4378800 -54.7311 -33.0212 -10.1609 -32.1326 26.4767 45.7982 -13.54 50.6257 0.70617 TIMING: 4378800 CPU: 13915.5, 0.00317176/step Wall: 13915.5, 0.00317176/step, 0.547304 hours remaining, 237.535156 MB of memory in use. ENERGY: 4378800 3976.4881 20315.6495 14388.5746 240.1193 -203504.4832 2735.8405 0.0000 0.0000 51727.1318 -110120.6794 297.2765 -161847.8112 -109771.2383 297.8580 95.0385 115.1208 763608.4504 -9.2175 -9.1828 PRESSURE: 4379000 67.3369 -62.778 125.88 -62.7777 -29.1469 168.755 125.88 168.755 -99.9098 GPRESSURE: 4379000 123.731 21.045 97.1501 -25.897 93.8546 172.968 55.2529 248.725 -211.555 PRESSAVG: 4379000 -42.9347 -83.9802 4.19398 -83.9803 24.8003 58.1327 4.19397 58.1327 2.46621 GPRESSAVG: 4379000 -42.2188 -83.7524 2.68133 -84.6661 24.0339 56.9946 4.13374 56.5112 2.69775 TIMING: 4379000 CPU: 13916.1, 0.00317791/step Wall: 13916.1, 0.00317791/step, 0.54819 hours remaining, 237.535156 MB of memory in use. ENERGY: 4379000 3921.5351 20434.9589 14435.7739 229.5975 -203909.6285 2789.5152 0.0000 0.0000 52171.1107 -109927.1372 299.8281 -162098.2479 -109564.6517 298.0735 -20.5733 2.0101 761616.5583 -5.2228 -5.1624 PRESSURE: 4379200 17.3663 59.2132 -141.589 59.2118 -272.463 203.492 -141.59 203.492 32.0482 GPRESSURE: 4379200 98.251 29.6248 -127.871 23.4279 -275.537 182.695 -95.4723 103.105 42.4789 PRESSAVG: 4379200 12.7647 0.395848 -48.689 0.395876 -31.6231 36.3518 -48.6891 36.3517 -22.0505 GPRESSAVG: 4379200 12.4829 -1.16358 -50.0133 -0.224929 -32.027 36.3939 -47.4959 38.0173 -21.2006 TIMING: 4379200 CPU: 13916.8, 0.00319149/step Wall: 13916.8, 0.00319149/step, 0.550355 hours remaining, 237.535156 MB of memory in use. ENERGY: 4379200 4051.0385 20344.0162 14340.5790 242.8491 -203367.4132 2627.2255 0.0000 0.0000 51829.7633 -109931.9416 297.8664 -161761.7048 -109565.7495 297.8497 -74.3494 -44.9358 762940.5424 -13.6363 -13.5816 PRESSURE: 4379400 -499.527 79.1483 -96.4385 79.1485 -278.4 113.037 -96.4377 113.036 47.415 GPRESSURE: 4379400 -355.238 81.7061 -79.493 -68.3487 -270.284 169.699 -87.829 110.541 -7.05015 PRESSAVG: 4379400 -46.6586 8.21876 -37.4133 8.21871 52.7964 30.2974 -37.4133 30.2974 -13.0429 GPRESSAVG: 4379400 -46.9402 9.64196 -36.8887 6.85332 52.8661 30.8625 -36.6599 26.3177 -13.2631 TIMING: 4379400 CPU: 13917.4, 0.00315549/step Wall: 13917.4, 0.00315549/step, 0.543971 hours remaining, 237.535156 MB of memory in use. ENERGY: 4379400 4007.7421 20396.3051 14434.7921 260.0201 -203545.0651 2661.2664 0.0000 0.0000 51876.4127 -109908.5264 298.1345 -161784.9392 -109549.3140 298.5620 -243.5040 -210.8575 763910.7905 -2.3017 -2.4457 PRESSURE: 4379600 -190.69 27.18 71.9178 27.1798 -204.043 -210.876 71.9179 -210.877 494.194 GPRESSURE: 4379600 -149.868 72.107 32.3693 -37.33 -122.195 -227.4 68.0059 -122.344 456.504 PRESSAVG: 4379600 -48.1758 -6.3016 -4.91348 -6.30162 11.882 -31.1876 -4.91343 -31.1875 11.6388 GPRESSAVG: 4379600 -48.9576 -8.05732 -3.86023 -5.55449 13.093 -31.1667 -5.39702 -29.6925 10.9624 TIMING: 4379600 CPU: 13918, 0.00320065/step Wall: 13918, 0.00320065/step, 0.551579 hours remaining, 237.535156 MB of memory in use. ENERGY: 4379600 3945.6384 20338.9584 14386.4963 245.6428 -203373.4822 2788.3043 0.0000 0.0000 51753.5276 -109914.9144 297.4282 -161668.4420 -109556.6553 298.5579 33.1535 61.4803 763862.9804 -8.2183 -8.3007 PRESSURE: 4379800 -49.1071 -243.597 -55.459 -243.597 -273.945 -45.0679 -55.4589 -45.0674 -447.242 GPRESSURE: 4379800 -98.0541 -162.296 -15.0076 -152.056 -183.716 -48.4106 -57.3865 -18.4686 -405.496 PRESSAVG: 4379800 -20.07 -11.7825 3.59312 -11.7826 5.48743 -23.5976 3.59315 -23.5976 -5.56713 GPRESSAVG: 4379800 -20.2223 -11.8253 3.23703 -8.20889 4.13719 -23.6065 1.2122 -23.6984 -4.19443 TIMING: 4379800 CPU: 13918.7, 0.00318541/step Wall: 13918.7, 0.00318541/step, 0.548775 hours remaining, 237.535156 MB of memory in use. ENERGY: 4379800 3915.9243 20515.1957 14396.4020 236.7019 -203323.8820 2390.8373 0.0000 0.0000 52154.5274 -109714.2934 299.7328 -161868.8208 -109358.2436 298.9649 -256.7645 -229.0886 762631.7238 -6.7166 -6.7598 PRESSURE: 4380000 -134.276 115.894 -118.541 115.894 -23.6749 18.4262 -118.54 18.4258 231.613 GPRESSURE: 4380000 -110.812 83.7732 -84.5408 10.5171 54.0791 -3.91569 -56.401 -52.4912 207.094 PRESSAVG: 4380000 -15.0741 -59.7675 -19.9876 -59.7675 22.6188 -36.1544 -19.9877 -36.1544 -2.73812 GPRESSAVG: 4380000 -14.2559 -57.8727 -20.7985 -61.7533 23.0485 -36.0901 -19.6167 -36.6291 -3.84958 TIMING: 4380000 CPU: 13919.3, 0.00317987/step Wall: 13919.3, 0.00317987/step, 0.547645 hours remaining, 237.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4380000 4046.8515 20368.7504 14428.7000 249.9550 -203699.8153 2979.1760 0.0000 0.0000 51815.2689 -109811.1136 297.7831 -161626.3824 -109460.3772 299.0174 24.5542 50.1205 763117.0026 1.6022 1.6477 PRESSURE: 4380200 -64.7121 -127.776 9.50778 -127.776 393.532 -37.4369 9.5074 -37.4371 104.145 GPRESSURE: 4380200 32.0953 -58.7578 35.3052 -98.9055 342.939 -10.8091 19.063 -66.3783 132.044 PRESSAVG: 4380200 -93.647 -49.1006 -22.0493 -49.1005 79.8851 15.3441 -22.0493 15.3442 28.864 GPRESSAVG: 4380200 -94.0891 -50.2284 -21.1169 -49.1501 79.8326 14.3409 -20.8347 15.4976 29.4247 TIMING: 4380200 CPU: 13919.9, 0.0031822/step Wall: 13919.9, 0.0031822/step, 0.547868 hours remaining, 237.535156 MB of memory in use. ENERGY: 4380200 3988.3352 20243.2085 14396.3041 249.3215 -203531.0180 2912.8666 0.0000 0.0000 52160.2802 -109580.7018 299.7658 -161740.9820 -109219.5990 298.9829 144.3216 169.0260 761642.0538 5.0340 5.0561 LDB: ============= START OF LOAD BALANCING ============== 13932.3 LDB: ============== END OF LOAD BALANCING =============== 13932.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13932.3 LDB: ============= START OF LOAD BALANCING ============== 13932.7 LDB: Largest compute 7025 load 0.033774 is 17.2% of average load 0.196062 LDB: Average compute 0.004385 is 2.2% of average load 0.196062 LDB: TIME 13932.7 LOAD: AVG 0.196062 MAX 0.218365 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 13932.7 LOAD: AVG 0.196062 MAX 0.218365 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 13932.7 LOAD: AVG 0.196062 MAX 0.218365 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 13932.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13932.7 PRESSURE: 4380400 -162.008 -29.4795 -112.313 -29.4802 -518.934 69.5969 -112.312 69.597 125.879 GPRESSURE: 4380400 -124.533 -18.7876 -121.791 -96.6371 -491.998 30.9281 -71.5828 -73.3009 146.105 PRESSAVG: 4380400 -50.1187 -24.4833 -28.6081 -24.4832 18.4518 18.1877 -28.6081 18.1878 37.8656 GPRESSAVG: 4380400 -49.4066 -23.9623 -27.701 -25.3517 17.364 17.6845 -30.6078 19.1305 38.2631 TIMING: 4380400 CPU: 13920.6, 0.00325987/step Wall: 13920.6, 0.00325987/step, 0.561059 hours remaining, 238.722656 MB of memory in use. ENERGY: 4380400 3951.1549 20514.3021 14359.1823 247.1604 -202879.0315 2375.1058 0.0000 0.0000 51964.2456 -109467.8804 298.6392 -161432.1260 -109102.1725 298.8707 -185.0210 -156.8084 763864.5956 2.0662 2.0735 PRESSURE: 4380600 -483.695 -80.2364 -30.2651 -80.2371 100.757 -66.0437 -30.264 -66.0444 -50.2277 GPRESSURE: 4380600 -389.555 -82.0208 67.1267 -126.153 124.159 -65.1252 16.1633 -24.576 -76.7166 PRESSAVG: 4380600 -42.5743 11.0087 -31.7899 11.0087 37.1577 -21.6771 -31.7899 -21.677 0.179728 GPRESSAVG: 4380600 -42.4037 9.623 -32.6133 12.1845 38.0917 -21.8494 -31.7938 -21.5234 -0.654252 TIMING: 4380600 CPU: 13921.2, 0.00319333/step Wall: 13921.2, 0.00319333/step, 0.54943 hours remaining, 238.925781 MB of memory in use. ENERGY: 4380600 3986.8717 20449.4421 14385.9628 257.3192 -203562.7616 2868.2745 0.0000 0.0000 52079.6306 -109535.2608 299.3024 -161614.8914 -109179.7683 298.9614 -144.3885 -114.0376 761899.2243 -1.7456 -1.6554 PRESSURE: 4380800 -177.499 -244.993 -143.898 -244.993 -153.071 11.0004 -143.899 11.0002 -270.009 GPRESSURE: 4380800 -154.988 -163 -156.196 -155.734 -106.11 -1.82561 -22.8833 23.4325 -280.332 PRESSAVG: 4380800 -33.772 12.9274 -39.5326 12.9274 29.3499 -28.5032 -39.5326 -28.5031 2.21113 GPRESSAVG: 4380800 -33.4869 13.7017 -42.0062 11.6387 29.4466 -29.4564 -36.1008 -27.1421 2.32304 TIMING: 4380800 CPU: 13921.9, 0.00318559/step Wall: 13921.9, 0.00318559/step, 0.547922 hours remaining, 238.925781 MB of memory in use. ENERGY: 4380800 4033.2359 20526.6052 14407.8682 241.9846 -203131.0224 2454.1711 0.0000 0.0000 52044.9943 -109422.1631 299.1033 -161467.1574 -109059.7561 299.2524 -200.1928 -180.4767 761933.6360 -0.7370 -0.5724 PRESSURE: 4381000 -195.293 -200.71 -156.582 -200.71 426.44 58.283 -156.582 58.2831 171.395 GPRESSURE: 4381000 -162.27 -183.918 -93.8855 -8.04005 392.297 55.1679 -212.491 -3.26489 257.874 PRESSAVG: 4381000 4.80345 9.6483 -50.7653 9.64823 -16.8019 -38.9495 -50.7654 -38.9495 35.8387 GPRESSAVG: 4381000 4.41397 8.25539 -48.1397 10.9055 -16.8178 -36.6842 -53.8914 -42.4365 36.304 TIMING: 4381000 CPU: 13922.5, 0.00319842/step Wall: 13922.5, 0.00319842/step, 0.549951 hours remaining, 238.925781 MB of memory in use. ENERGY: 4381000 3927.3312 20531.1780 14404.6279 241.2757 -203255.5358 2548.2419 0.0000 0.0000 52474.0570 -109128.8241 301.5691 -161602.8811 -108754.7156 299.5814 134.1808 162.6335 760741.3297 7.9468 7.9667 PRESSURE: 4381200 177.357 184.635 -105.293 184.636 -185.705 -130.18 -105.294 -130.18 -112.22 GPRESSURE: 4381200 179.108 277.532 -144.049 93.1684 -132.188 -44.8001 -30.5297 -173.055 -90.3716 PRESSAVG: 4381200 -12.4102 -58.0508 -28.5461 -58.0507 -26.7264 32.3711 -28.5461 32.3711 -6.03483 GPRESSAVG: 4381200 -13.735 -55.7145 -28.9873 -58.8283 -25.0144 32.5735 -28.2359 32.6053 -6.52529 TIMING: 4381200 CPU: 13923.1, 0.00319034/step Wall: 13923.1, 0.00319034/step, 0.548385 hours remaining, 238.925781 MB of memory in use. ENERGY: 4381200 3984.3985 20474.8366 14367.2026 240.9923 -203243.1968 2471.8477 0.0000 0.0000 52508.8592 -109195.0599 301.7691 -161703.9191 -108834.6799 300.1825 -40.1893 -14.4839 762575.0292 -15.0571 -15.0915 PRESSURE: 4381400 -69.1487 164.638 -250.012 164.636 -70.3209 -83.4358 -250.012 -83.4355 -600.164 GPRESSURE: 4381400 -37.2466 155.719 -248.694 187.455 3.51546 -71.8825 -186.552 -10.2281 -614.432 PRESSAVG: 4381400 4.01654 29.9446 -43.6911 29.9445 16.8326 -27.3239 -43.6911 -27.3239 -20.8045 GPRESSAVG: 4381400 5.52192 30.352 -42.7479 28.7707 14.6582 -27.7906 -42.4731 -25.1009 -20.2831 TIMING: 4381400 CPU: 13923.8, 0.00320163/step Wall: 13923.8, 0.00320163/step, 0.550147 hours remaining, 238.925781 MB of memory in use. ENERGY: 4381400 3910.3232 20681.5813 14515.0358 242.0806 -202914.6316 2301.2034 0.0000 0.0000 52182.5381 -109081.8692 299.8938 -161264.4073 -108714.1761 300.3768 -246.5444 -216.0545 760967.2601 0.0149 -0.0343 PRESSURE: 4381600 45.1092 -108.17 -2.89248 -108.17 -74.077 101.179 -2.89267 101.179 -129.758 GPRESSURE: 4381600 59.0223 -47.8902 -97.2545 -106.461 -41.0594 -15.0288 6.15653 -27.0951 -81.2285 PRESSAVG: 4381600 -41.4158 -3.54344 -9.83336 -3.54346 21.7112 -1.40208 -9.8334 -1.4021 -9.48673 GPRESSAVG: 4381600 -43.4111 -5.64159 -11.9861 -0.444544 22.6805 -2.14114 -8.04921 -3.51583 -9.05305 TIMING: 4381600 CPU: 13924.4, 0.0032055/step Wall: 13924.4, 0.0032055/step, 0.550633 hours remaining, 238.925781 MB of memory in use. ENERGY: 4381600 3972.3245 20537.9432 14372.0023 257.2179 -202998.8623 2401.7407 0.0000 0.0000 52248.6820 -109208.9519 300.2739 -161457.6338 -108847.3675 299.9980 -52.9084 -21.0885 761607.5016 -9.7304 -9.9279 PRESSURE: 4381800 172.368 10.0298 21.0041 10.0303 88.8519 103.753 21.0036 103.753 255.23 GPRESSURE: 4381800 202.901 38.3788 -23.2232 -55.9807 170.058 101.822 -113.672 -55.7914 236.15 PRESSAVG: 4381800 22.6089 -16.5196 10.2343 -16.5196 -56.6221 -31.1211 10.2344 -31.1211 -1.58077 GPRESSAVG: 4381800 24.4648 -14.5887 12.197 -16.3794 -57.4107 -31.4433 7.16673 -29.9092 -2.92641 TIMING: 4381800 CPU: 13925.1, 0.00317143/step Wall: 13925.1, 0.00317142/step, 0.544604 hours remaining, 238.925781 MB of memory in use. ENERGY: 4381800 3921.0807 20473.0155 14475.7847 245.2659 -203247.8231 2808.6449 0.0000 0.0000 52104.0710 -109219.9605 299.4428 -161324.0315 -108862.4540 300.1046 172.1498 203.0365 761812.9866 -11.8646 -11.9574 PRESSURE: 4382000 1.51308 -66.6053 -37.2379 -66.6056 -350.014 90.2991 -37.2379 90.2996 -84.5683 GPRESSURE: 4382000 33.8548 0.580275 -90.2195 -51.3639 -172.729 66.6115 87.1869 49.3442 -208.66 PRESSAVG: 4382000 22.9896 -9.71349 2.89227 -9.71351 -14.5288 38.4662 2.89229 38.4662 12.0431 GPRESSAVG: 4382000 21.4532 -9.17119 1.70715 -11.7652 -12.5407 37.6962 3.70894 36.339 11.2096 TIMING: 4382000 CPU: 13925.7, 0.00317199/step Wall: 13925.7, 0.003172/step, 0.544526 hours remaining, 238.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4382000 3991.2391 20484.1360 14443.2351 250.3877 -203207.9061 2545.0827 0.0000 0.0000 52285.3522 -109208.4732 300.4846 -161493.8254 -108823.0371 300.0323 -144.3566 -115.8447 762117.0373 6.8346 6.7074 PRESSURE: 4382200 -85.5976 65.3148 -163.5 65.3145 -209.481 -101.41 -163.501 -101.411 31.5519 GPRESSURE: 4382200 -45.2067 91.3967 -156.51 -58.2016 -228.209 13.4203 -168.486 -97.2647 93.6683 PRESSAVG: 4382200 61.4321 -1.10379 16.1844 -1.10374 -30.4358 -7.55195 16.1845 -7.55191 -3.03633 GPRESSAVG: 4382200 61.2653 -1.4189 15.6621 -0.756605 -31.6864 -6.65502 18.1955 -6.36387 -1.94358 TIMING: 4382200 CPU: 13926.3, 0.0031852/step Wall: 13926.3, 0.0031852/step, 0.546615 hours remaining, 238.925781 MB of memory in use. ENERGY: 4382200 3910.7992 20534.5531 14462.1128 250.7374 -203099.1416 2580.7928 0.0000 0.0000 51974.7028 -109385.4435 298.6993 -161360.1463 -109028.0095 299.6877 -87.8422 -59.9159 762899.2655 9.3200 9.2118 PRESSURE: 4382400 -268.232 38.4209 152.21 38.4199 375.296 -10.3671 152.21 -10.3675 88.287 GPRESSURE: 4382400 -177.644 97.3298 81.3001 56.9414 391.546 3.48561 157.493 132.261 85.3107 PRESSAVG: 4382400 -4.77135 -5.21525 13.4945 -5.21524 -6.2157 11.5087 13.4945 11.5088 2.8878 GPRESSAVG: 4382400 -3.56092 -4.2795 14.2157 -5.94099 -6.21794 10.9045 10.0405 13.698 2.06542 TIMING: 4382400 CPU: 13927, 0.00317833/step Wall: 13927, 0.00317833/step, 0.54526 hours remaining, 238.925781 MB of memory in use. ENERGY: 4382400 3988.3359 20455.3487 14549.5610 257.4742 -203202.7790 2510.2776 0.0000 0.0000 52221.7660 -109220.0156 300.1192 -161441.7816 -108844.0952 299.9483 65.1169 99.7376 760447.1308 -2.6997 -2.5711 PRESSURE: 4382600 2.78012 -89.2679 36.1878 -89.2682 333.525 167.443 36.1882 167.443 -238.217 GPRESSURE: 4382600 60.3518 -67.8659 88.0457 -201.319 328.311 178.888 122.284 28.885 -197.529 PRESSAVG: 4382600 40.2727 -63.0856 29.1917 -63.0856 16.5421 -71.7213 29.1918 -71.7213 -1.25876 GPRESSAVG: 4382600 40.3771 -66.6735 28.3941 -61.8524 15.8619 -70.8888 30.9645 -72.6334 -1.53758 TIMING: 4382600 CPU: 13927.6, 0.003177/step Wall: 13927.6, 0.003177/step, 0.544855 hours remaining, 238.925781 MB of memory in use. ENERGY: 4382600 4030.2783 20873.5825 14437.2729 241.9036 -203014.4297 2281.0750 0.0000 0.0000 52044.7682 -109105.5492 299.1020 -161150.3173 -108758.5660 300.0854 32.6959 63.7111 761694.8741 18.5187 18.2338 PRESSURE: 4382800 22.3616 -134.078 157.89 -134.078 -57.1556 -117.628 157.891 -117.628 -1.19256 GPRESSURE: 4382800 53.5742 -54.7936 84.6887 -27.0689 -3.22592 -132.85 91.5431 -155.412 -2.4939 PRESSAVG: 4382800 -32.1284 -83.8736 -12.2496 -83.8735 18.3331 -15.0054 -12.2496 -15.0054 4.14041 GPRESSAVG: 4382800 -31.8817 -83.0673 -11.0358 -81.9104 18.4593 -16.4517 -12.8794 -15.4761 4.10286 TIMING: 4382800 CPU: 13928.2, 0.00318772/step Wall: 13928.2, 0.00318772/step, 0.546516 hours remaining, 238.925781 MB of memory in use. ENERGY: 4382800 4046.4594 20477.1581 14469.1594 236.9153 -202745.7850 2228.4484 0.0000 0.0000 52293.0267 -108994.6176 300.5287 -161287.6443 -108621.3785 300.4074 -11.9955 15.9515 761791.2369 -3.2183 -3.1065 PRESSURE: 4383000 -176.756 117.051 -80.8893 117.051 37.5656 104.473 -80.8887 104.473 62.9519 GPRESSURE: 4383000 -168.178 134.728 -148.154 40.4481 4.35092 4.24725 -25.946 72.1033 160.056 PRESSAVG: 4383000 -2.06201 -19.3161 48.9238 -19.3161 9.11275 -63.5161 48.9238 -63.5162 -19.879 GPRESSAVG: 4383000 -1.85327 -17.9248 47.9803 -19.1641 8.99614 -62.0729 48.5963 -64.7391 -19.4802 TIMING: 4383000 CPU: 13928.9, 0.00318705/step Wall: 13928.9, 0.00318705/step, 0.546225 hours remaining, 238.925781 MB of memory in use. ENERGY: 4383000 3966.5244 20535.0830 14470.4766 230.9239 -203134.4214 2442.1291 0.0000 0.0000 52230.1236 -109259.1606 300.1672 -161489.2843 -108899.4682 300.0074 -25.4130 -1.2572 761562.1095 -4.2761 -4.1125 PRESSURE: 4383200 -235.678 -57.9159 18.0886 -57.9156 -404.205 -80.7438 18.0889 -80.7448 -244.358 GPRESSURE: 4383200 -272.091 -40.3531 -61.164 -129.518 -307.741 -114.023 33.4301 -30.6758 -223.87 PRESSAVG: 4383200 31.4514 -3.10507 19.7034 -3.10509 -27.4681 12.8073 19.7034 12.8073 21.4163 GPRESSAVG: 4383200 30.3075 -2.7447 19.3715 -5.54993 -28.0194 12.9592 20.8868 13.0216 22.6379 TIMING: 4383200 CPU: 13929.5, 0.00317309/step Wall: 13929.5, 0.00317309/step, 0.543656 hours remaining, 238.925781 MB of memory in use. ENERGY: 4383200 3979.0180 20410.9825 14532.8975 269.3144 -203102.0831 2284.9959 0.0000 0.0000 52214.4198 -109410.4549 300.0770 -161624.8748 -109042.8298 298.8135 -294.7471 -267.9007 763396.8571 8.4665 8.3087 PRESSURE: 4383400 167.907 -212.99 80.1662 -212.99 102.266 95.3553 80.1662 95.3564 271.986 GPRESSURE: 4383400 188.753 -186.051 58.5546 -133.501 115.71 107.126 107.518 -6.80318 332.12 PRESSAVG: 4383400 38.7195 -61.6489 -7.38683 -61.649 -52.753 -29.8913 -7.38678 -29.8913 -4.12515 GPRESSAVG: 4383400 39.4027 -61.9954 -7.92426 -59.8864 -52.3496 -30.2037 -6.21714 -27.9144 -4.89814 TIMING: 4383400 CPU: 13930.1, 0.00318358/step Wall: 13930.1, 0.00318358/step, 0.545276 hours remaining, 238.925781 MB of memory in use. ENERGY: 4383400 4033.1150 20426.0838 14482.8688 243.0988 -203498.0408 2757.4910 0.0000 0.0000 52149.9687 -109405.4148 299.7066 -161555.3835 -109035.3117 299.5051 180.7195 212.1947 760208.7907 -6.0529 -5.9483 PRESSURE: 4383600 -146.771 127.783 -222.013 127.783 -355.448 -209.954 -222.013 -209.954 -62.8243 GPRESSURE: 4383600 -117.828 94.292 -258.23 190.291 -395.571 -128.656 -176.251 -312.076 25.2916 PRESSAVG: 4383600 -37.9701 -43.4872 6.87801 -43.4873 0.525606 -14.6821 6.87805 -14.682 -26.9265 GPRESSAVG: 4383600 -38.567 -44.4173 9.29302 -44.7845 1.37058 -14.3459 4.11545 -14.7496 -27.4933 TIMING: 4383600 CPU: 13930.8, 0.00317316/step Wall: 13930.8, 0.00317316/step, 0.543316 hours remaining, 238.925781 MB of memory in use. ENERGY: 4383600 4014.4810 20383.8012 14463.9089 271.2599 -203156.6188 2546.7566 0.0000 0.0000 51925.7675 -109550.6437 298.4181 -161476.4112 -109192.5952 299.2810 -188.3479 -162.7025 762242.5207 -21.4570 -21.5633 PRESSURE: 4383800 229.292 -194.009 -79.7906 -194.009 -122.451 371.126 -79.7903 371.126 32.2364 GPRESSURE: 4383800 193.626 -203.121 -123.66 58.7734 -3.80643 316.372 48.0677 247.997 38.2271 PRESSAVG: 4383800 -2.22451 44.9262 1.84999 44.9263 -12.6997 6.89733 1.85 6.89735 -9.4265 GPRESSAVG: 4383800 -1.52807 42.9438 1.34987 46.7252 -12.2247 5.33265 2.77234 5.07596 -10.3932 TIMING: 4383800 CPU: 13931.4, 0.00316928/step Wall: 13931.4, 0.00316928/step, 0.542474 hours remaining, 238.925781 MB of memory in use. ENERGY: 4383800 3952.6842 20404.5529 14436.5817 238.1580 -203316.3820 2640.7476 0.0000 0.0000 52100.3060 -109543.3518 299.4212 -161643.6577 -109184.7876 299.1044 46.3592 76.0157 763165.6314 -8.1169 -8.0487 PRESSURE: 4384000 -241.023 -73.7792 -207.585 -73.7798 94.5021 -172.634 -207.585 -172.634 -117.183 GPRESSURE: 4384000 -95.5456 -32.8238 -228.294 -35.2385 21.9692 -299.036 -120.89 -97.4012 -99.3748 PRESSAVG: 4384000 2.1351 21.2988 11.7137 21.2989 -17.8684 -39.3169 11.7138 -39.3169 10.4909 GPRESSAVG: 4384000 1.70402 22.4832 11.3241 19.9312 -18.831 -38.6465 13.6663 -38.905 12.2518 TIMING: 4384000 CPU: 13932.1, 0.00318359/step Wall: 13932.1, 0.00318359/step, 0.544747 hours remaining, 238.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4384000 4062.2111 20585.2076 14527.5081 260.8463 -203175.9588 2530.3910 0.0000 0.0000 51836.4681 -109373.3266 297.9049 -161209.7947 -109015.3357 299.1028 -87.9014 -57.6504 761993.9406 -1.7475 -1.6251 PRESSURE: 4384200 -394.465 153.504 -161.96 153.504 -216.198 -152.689 -161.96 -152.69 -138.343 GPRESSURE: 4384200 -311.327 137.311 -28.8629 111.805 -238.505 -156.203 -170.72 -132.722 -132.898 PRESSAVG: 4384200 -20.6022 48.0065 -42.2215 48.0065 72.1958 -14.3115 -42.2215 -14.3115 10.4677 GPRESSAVG: 4384200 -19.8823 49.3867 -43.287 48.1437 71.5101 -13.9037 -43.2443 -10.539 10.2087 TIMING: 4384200 CPU: 13932.7, 0.00318072/step Wall: 13932.7, 0.00318072/step, 0.544079 hours remaining, 238.925781 MB of memory in use. ENERGY: 4384200 4018.9384 20534.9043 14488.2691 210.1361 -202913.8069 2294.1263 0.0000 0.0000 52118.5910 -109248.8418 299.5263 -161367.4328 -108887.9016 299.2817 -249.6686 -227.5764 760242.5475 20.6871 20.6122 LDB: ============= START OF LOAD BALANCING ============== 13945.1 LDB: ============== END OF LOAD BALANCING =============== 13945.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13945.1 LDB: ============= START OF LOAD BALANCING ============== 13945.4 LDB: Largest compute 7076 load 0.034792 is 17.7% of average load 0.196157 LDB: Average compute 0.004363 is 2.2% of average load 0.196157 LDB: TIME 13945.4 LOAD: AVG 0.196157 MAX 0.219709 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 13945.4 LOAD: AVG 0.196157 MAX 0.219709 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: TIME 13945.4 LOAD: AVG 0.196157 MAX 0.219709 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13945.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13945.4 PRESSURE: 4384400 58.5682 -14.4717 105.172 -14.472 -134.795 -158.241 105.172 -158.241 -34.9921 GPRESSURE: 4384400 91.37 -120.605 133.315 -48.1243 -113.586 -134.697 129.488 -172.447 9.59928 PRESSAVG: 4384400 -62.5495 -19.9641 1.21015 -19.964 2.83061 12.7528 1.21011 12.7528 12.741 GPRESSAVG: 4384400 -62.9433 -21.2706 0.112002 -19.3706 3.11438 12.4667 1.53034 9.51046 13.0242 TIMING: 4384400 CPU: 13933.3, 0.00324101/step Wall: 13933.3, 0.00324101/step, 0.554212 hours remaining, 238.152344 MB of memory in use. ENERGY: 4384400 4019.0572 20420.7417 14417.1092 249.0085 -203493.8019 2805.5524 0.0000 0.0000 52468.4745 -109113.8585 301.5370 -161582.3330 -108749.0318 299.9609 -37.0728 -4.2054 760760.9936 -15.6593 -15.6016 PRESSURE: 4384600 310.01 98.5472 54.3893 98.5471 26.3385 98.0736 54.3895 98.0743 115.89 GPRESSURE: 4384600 312.582 -41.8513 35.5528 35.5517 26.0913 61.0684 83.6337 20.1415 211.874 PRESSAVG: 4384600 -12.8843 -16.3145 -23.3177 -16.3146 15.9823 -7.5838 -23.3177 -7.5838 -9.36072 GPRESSAVG: 4384600 -14.1572 -17.3611 -23.7279 -17.2268 16.3937 -6.64959 -24.826 -8.83604 -9.51978 TIMING: 4384600 CPU: 13934, 0.00317716/step Wall: 13934, 0.00317716/step, 0.543118 hours remaining, 238.355469 MB of memory in use. ENERGY: 4384600 4012.1566 20514.1054 14543.8825 236.7487 -203101.2749 2505.4222 0.0000 0.0000 52316.1423 -108972.8172 300.6616 -161288.9595 -108603.2211 300.7763 150.7459 183.5156 761741.5113 -2.0876 -2.4278 PRESSURE: 4384800 -16.5799 40.5035 110.498 40.5028 -103.604 -0.568481 110.497 -0.568373 -58.5065 GPRESSURE: 4384800 -15.849 88.3458 73.379 27.9016 -16.7202 27.5693 225.214 -46.9376 -50.7883 PRESSAVG: 4384800 -28.0387 -14.5865 -16.1789 -14.5865 30.0581 -9.20314 -16.179 -9.20315 -0.471746 GPRESSAVG: 4384800 -27.5442 -13.4487 -15.8012 -14.5741 30.064 -9.83696 -13.8262 -6.10272 -0.697439 TIMING: 4384800 CPU: 13934.6, 0.00320336/step Wall: 13934.6, 0.00320336/step, 0.547418 hours remaining, 238.355469 MB of memory in use. ENERGY: 4384800 4041.5026 20366.3739 14438.1270 248.8803 -203381.7577 2729.7064 0.0000 0.0000 52446.9658 -109110.2017 301.4134 -161557.1674 -108741.5859 299.9182 -59.5635 -27.7858 761169.2031 0.5159 0.6075 PRESSURE: 4385000 173.237 -102.36 -180.721 -102.36 85.8469 -67.8577 -180.721 -67.8568 -39.4456 GPRESSURE: 4385000 211.051 -91.125 -208.328 -117.126 118.673 -61.5135 -237.014 -159.639 -30.5185 PRESSAVG: 4385000 78.6117 -20.9904 -29.0649 -20.9904 -59.4863 5.91126 -29.0649 5.91116 -3.68331 GPRESSAVG: 4385000 80.4814 -19.8474 -28.3837 -21.5024 -60.0419 5.94905 -29.5472 3.49475 -4.32418 TIMING: 4385000 CPU: 13935.2, 0.00318666/step Wall: 13935.2, 0.00318666/step, 0.544388 hours remaining, 238.355469 MB of memory in use. ENERGY: 4385000 4059.2517 20573.9473 14496.6335 241.2955 -203248.3073 2675.4265 0.0000 0.0000 51958.6176 -109243.1353 298.6069 -161201.7528 -108879.8835 299.8542 73.2128 99.7352 761539.1766 5.1474 5.3718 PRESSURE: 4385200 199.988 71.3428 -1.33825 71.343 -205.773 19.0482 -1.33821 19.047 -230.393 GPRESSURE: 4385200 158.487 -21.9618 -18.1658 -10.7083 -108.011 21.27 -64.2272 112.43 -200.007 PRESSAVG: 4385200 29.2244 -18.8095 55.6228 -18.8094 -38.6569 -4.24644 55.6228 -4.24647 -2.86695 GPRESSAVG: 4385200 29.2079 -19.8001 57.1367 -17.3132 -38.697 -4.82944 53.1557 -0.985252 -2.85205 TIMING: 4385200 CPU: 13935.9, 0.00318764/step Wall: 13935.9, 0.00318764/step, 0.544378 hours remaining, 238.355469 MB of memory in use. ENERGY: 4385200 4057.0447 20472.1662 14466.1964 242.2820 -203320.8736 2543.6984 0.0000 0.0000 51979.8162 -109559.6698 298.7287 -161539.4860 -109195.9424 299.1690 -78.7262 -49.8436 762089.9120 -4.0998 -4.1137 PRESSURE: 4385400 -60.2926 167.791 115.966 167.791 31.9225 126.386 115.965 126.387 274.128 GPRESSURE: 4385400 -31.4179 162.668 53.8774 124.474 66.6439 145.487 -40.1939 48.4943 294.835 PRESSAVG: 4385400 22.9781 -41.0088 28.2821 -41.0088 -21.9976 -22.8824 28.2821 -22.8824 1.12773 GPRESSAVG: 4385400 22.3532 -42.5793 25.1203 -42.5779 -20.8178 -22.148 29.479 -24.2865 1.26471 TIMING: 4385400 CPU: 13936.5, 0.00318305/step Wall: 13936.5, 0.00318305/step, 0.543417 hours remaining, 238.355469 MB of memory in use. ENERGY: 4385400 4081.3860 20498.7266 14574.1277 258.9213 -203380.5486 2444.2545 0.0000 0.0000 51916.1048 -109607.0277 298.3626 -161523.1325 -109248.8346 298.8407 81.9194 110.0202 761329.7403 0.7028 0.9333 PRESSURE: 4385600 2.24278 -23.586 -38.9478 -23.5853 -180.082 111.255 -38.9482 111.256 -223.293 GPRESSURE: 4385600 31.3773 -36.4694 -75.794 -85.2108 -145.355 41.7141 -63.8064 151.466 -223.036 PRESSAVG: 4385600 -28.7483 -78.7175 1.5688 -78.7174 66.0403 -9.87335 1.56883 -9.87333 30.6482 GPRESSAVG: 4385600 -27.7926 -77.467 4.05622 -79.9574 63.9524 -9.17229 1.76203 -8.99716 31.9576 TIMING: 4385600 CPU: 13937.2, 0.00318949/step Wall: 13937.2, 0.00318949/step, 0.54434 hours remaining, 238.355469 MB of memory in use. ENERGY: 4385600 4048.3562 20659.6270 14432.7974 240.2099 -203450.4881 2531.3557 0.0000 0.0000 51884.8542 -109653.2877 298.1830 -161538.1419 -109289.4896 299.1448 -133.7108 -112.3380 762414.8568 22.6468 22.7058 PRESSURE: 4385800 60.0798 18.1197 40.9302 18.1196 -387.875 -101.536 40.9295 -101.536 39.0214 GPRESSURE: 4385800 -24.3942 -87.7064 13.04 43.7679 -253.559 -66.1414 44.0493 -189.409 68.7977 PRESSAVG: 4385800 -24.0262 13.7201 -16.3747 13.7201 -35.5913 29.484 -16.3748 29.484 -11.0467 GPRESSAVG: 4385800 -24.9576 14.5625 -15.3915 15.4751 -33.4327 28.2111 -16.7262 29.6015 -12.6111 TIMING: 4385800 CPU: 13937.8, 0.00317301/step Wall: 13937.8, 0.00317301/step, 0.541351 hours remaining, 238.355469 MB of memory in use. ENERGY: 4385800 3975.9104 20677.0838 14456.8375 230.2129 -203574.3708 2729.8030 0.0000 0.0000 52136.4478 -109368.0754 299.6289 -161504.5232 -109000.7093 299.5071 -96.2580 -69.7185 762141.7164 -23.5547 -23.6671 PRESSURE: 4386000 -236.869 126.05 -51.8859 126.05 -55.5049 -69.7247 -51.8862 -69.7249 110.739 GPRESSURE: 4386000 -166.415 98.4219 -41.2722 137.6 -60.7699 -65.4481 -127.173 -15.7711 158.141 PRESSAVG: 4386000 13.301 12.1908 30.0434 12.1907 12.6265 22.5056 30.0434 22.5055 20.8341 GPRESSAVG: 4386000 12.7522 12.7048 26.3676 10.7596 12.2959 23.7649 29.0847 24.2443 21.679 TIMING: 4386000 CPU: 13938.4, 0.00316413/step Wall: 13938.4, 0.00316413/step, 0.53966 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4386000 4131.5152 20608.1636 14503.1334 255.3281 -203611.7186 2915.9071 0.0000 0.0000 52094.1301 -109103.5411 299.3857 -161197.6712 -108742.0942 300.2815 -60.5450 -23.0148 761372.9894 15.5872 15.5757 PRESSURE: 4386200 -95.9969 16.2403 272.46 16.2402 284.035 -40.4247 272.46 -40.4261 -202.691 GPRESSURE: 4386200 33.4847 76.5102 222.109 -14.0886 285.96 -17.7793 196.551 -24.6809 -244.075 PRESSAVG: 4386200 -9.69889 41.049 13.7885 41.049 -9.48076 12.4714 13.7885 12.4715 13.2004 GPRESSAVG: 4386200 -8.31477 40.5077 17.672 41.9115 -9.57539 12.765 12.9554 10.4045 11.8431 TIMING: 4386200 CPU: 13939.1, 0.00315953/step Wall: 13939.1, 0.00315953/step, 0.5387 hours remaining, 238.355469 MB of memory in use. ENERGY: 4386200 4041.6124 20738.1880 14428.0855 247.5417 -203866.1954 2858.0038 0.0000 0.0000 52195.1179 -109357.6460 299.9661 -161552.7639 -109007.3642 300.1405 -4.8841 25.1232 759858.3183 -1.9931 -2.0157 PRESSURE: 4386400 227.476 -29.5633 -87.1203 -29.5641 -113.796 43.684 -87.1207 43.6837 127.499 GPRESSURE: 4386400 229.579 -102.812 2.93961 47.215 -57.7852 6.33143 -17.5393 77.5907 139.258 PRESSAVG: 4386400 -6.49684 -25.258 13.274 -25.2581 6.05634 -21.7905 13.2741 -21.7905 -6.66659 GPRESSAVG: 4386400 -7.33193 -26.2004 11.3221 -24.2206 6.61937 -21.4355 15.3725 -22.6498 -6.55053 TIMING: 4386400 CPU: 13939.7, 0.00315993/step Wall: 13939.7, 0.00315993/step, 0.538593 hours remaining, 238.355469 MB of memory in use. ENERGY: 4386400 3989.6619 20736.5550 14468.4705 254.2323 -203697.0214 2529.1576 0.0000 0.0000 52315.6349 -109403.3091 300.6587 -161718.9440 -109048.3073 299.7029 80.3931 103.6839 759600.1244 -2.3690 -2.4210 PRESSURE: 4386600 255.553 17.6807 26.3553 17.6803 23.7389 14.6786 26.3557 14.6789 113.427 GPRESSURE: 4386600 323.961 35.0192 -17.3478 93.1478 60.8009 -51.8858 -31.5528 -155.574 83.5656 PRESSAVG: 4386600 -0.934462 1.89061 -20.9522 1.89055 -16.9562 -14.2383 -20.9522 -14.2383 -6.59657 GPRESSAVG: 4386600 -0.254262 1.74676 -21.7442 3.86523 -18.399 -16.2092 -23.308 -11.673 -5.75538 TIMING: 4386600 CPU: 13940.3, 0.00317383/step Wall: 13940.3, 0.00317383/step, 0.540785 hours remaining, 238.355469 MB of memory in use. ENERGY: 4386600 3948.6640 20474.0238 14419.1448 239.7976 -203316.3047 2369.6205 0.0000 0.0000 52260.9034 -109604.1505 300.3441 -161865.0539 -109233.1650 299.4129 130.9062 156.1093 759829.9783 -8.1624 -8.1362 PRESSURE: 4386800 108.981 -62.2723 29.1524 -62.2724 -237.606 -269.756 29.1515 -269.756 -424.526 GPRESSURE: 4386800 134.602 -56.6994 -4.86613 7.39254 -242.778 -172.155 92.7092 -265.357 -368.874 PRESSAVG: 4386800 -21.9255 10.5851 -35.7409 10.5851 15.921 -38.4411 -35.7409 -38.441 -12.7643 GPRESSAVG: 4386800 -23.4701 10.6056 -37.8314 10.3516 17.5923 -37.1597 -33.3184 -40.1902 -12.7073 TIMING: 4386800 CPU: 13941, 0.00315802/step Wall: 13941, 0.00315802/step, 0.537916 hours remaining, 238.355469 MB of memory in use. ENERGY: 4386800 3974.2326 20652.8108 14395.3922 232.6955 -203225.4193 2487.8045 0.0000 0.0000 52147.4911 -109334.9925 299.6923 -161482.4837 -108979.1892 298.9062 -184.3837 -159.0165 761658.2422 -6.2563 -6.1951 PRESSURE: 4387000 46.0594 247.708 -65.4657 247.707 414.206 162.704 -65.4658 162.705 79.2726 GPRESSURE: 4387000 100.908 142.326 -23.0601 297.05 440.865 100.293 -84.9511 75.3742 91.5183 PRESSAVG: 4387000 14.2117 2.90353 -15.9911 2.90359 -49.646 -27.9486 -15.9911 -27.9486 -6.73268 GPRESSAVG: 4387000 13.8521 3.69406 -12.4903 1.94245 -49.9106 -29.3309 -17.1165 -25.807 -6.15405 TIMING: 4387000 CPU: 13941.6, 0.00319851/step Wall: 13941.6, 0.00319851/step, 0.544635 hours remaining, 238.355469 MB of memory in use. ENERGY: 4387000 3973.8857 20619.9461 14394.5553 243.4479 -203649.4933 2723.6584 0.0000 0.0000 52096.7496 -109597.2504 299.4007 -161693.9999 -109242.1907 298.8966 179.8460 211.0970 758199.1532 -14.0557 -14.0708 PRESSURE: 4387200 -10.8634 -81.4338 -77.0843 -81.4333 0.62897 -110.754 -77.0823 -110.753 160.499 GPRESSURE: 4387200 -30.8762 -81.9703 42.0817 -48.0943 -1.06923 -109.457 -143.607 -52.2216 264.716 PRESSAVG: 4387200 -8.21504 -6.31851 -33.073 -6.31853 39.8485 10.8338 -33.0729 10.8337 1.52304 GPRESSAVG: 4387200 -7.78256 -7.16611 -35.2893 -4.55309 40.3124 11.5727 -31.08 10.4701 0.579863 TIMING: 4387200 CPU: 13942.2, 0.00318048/step Wall: 13942.2, 0.00318048/step, 0.541389 hours remaining, 238.355469 MB of memory in use. ENERGY: 4387200 4005.0444 20710.3236 14430.6033 242.2811 -203889.2227 2901.7698 0.0000 0.0000 51802.4810 -109796.7195 297.7096 -161599.2006 -109442.6743 299.2210 50.0881 77.5901 759304.3439 11.0522 11.0366 PRESSURE: 4387400 -82.3846 112.258 230.684 112.258 -214.923 330.649 230.684 330.649 51.3877 GPRESSURE: 4387400 -143.097 -12.8111 284.541 43.1756 -122.895 281.711 89.9083 226.649 87.6578 PRESSAVG: 4387400 -35.3079 2.62172 -17.473 2.62174 71.015 19.2876 -17.473 19.2876 7.06727 GPRESSAVG: 4387400 -35.9597 4.09623 -16.7141 -0.476123 70.877 19.8787 -20.3298 16.8004 7.9601 TIMING: 4387400 CPU: 13942.9, 0.00318849/step Wall: 13942.9, 0.00318849/step, 0.542575 hours remaining, 238.355469 MB of memory in use. ENERGY: 4387400 4022.5835 20697.0058 14432.1666 232.7706 -203644.5695 2471.8810 0.0000 0.0000 51794.0202 -109994.1418 297.6609 -161788.1620 -109631.5703 298.4275 -81.9733 -59.4445 760463.4504 14.2581 14.2925 PRESSURE: 4387600 -31.1233 -7.44306 -77.9936 -7.44432 -86.2194 -148.115 -77.9936 -148.113 -208.641 GPRESSURE: 4387600 -98.0769 131.935 -109.79 105.915 39.3188 -151.138 -6.94282 -154.628 -204.226 PRESSAVG: 4387600 7.66694 15.0374 -57.9744 15.0374 21.9206 -11.9061 -57.9744 -11.9062 9.41745 GPRESSAVG: 4387600 7.28506 14.5578 -57.9238 15.9923 23.2263 -12.8085 -58.6613 -9.53216 8.54577 TIMING: 4387600 CPU: 13943.5, 0.00317777/step Wall: 13943.5, 0.00317777/step, 0.540574 hours remaining, 238.355469 MB of memory in use. ENERGY: 4387600 3957.9796 20679.3063 14477.6425 243.3074 -203614.6071 2536.6103 0.0000 0.0000 51775.6006 -109944.1604 297.5551 -161719.7610 -109581.6757 298.3854 -108.6611 -87.6615 760705.8941 13.0017 13.0190 PRESSURE: 4387800 -209.867 -95.446 -23.5218 -95.446 4.81157 -29.4976 -23.5219 -29.4963 296.057 GPRESSURE: 4387800 -79.5819 -206.096 -91.4053 -135.087 20.4872 11.8031 44.8965 -0.847498 240.972 PRESSAVG: 4387800 18.4241 3.30395 -65.9409 3.30397 14.6762 -6.72802 -65.9408 -6.72801 2.09381 GPRESSAVG: 4387800 20.5879 2.84821 -67.4087 5.2745 12.7559 -5.70217 -64.2424 -5.53239 2.00476 TIMING: 4387800 CPU: 13944.1, 0.00317607/step Wall: 13944.1, 0.00317607/step, 0.540108 hours remaining, 238.355469 MB of memory in use. ENERGY: 4387800 3996.5490 20560.4034 14465.2055 238.9708 -204031.7312 2808.3107 0.0000 0.0000 51975.2991 -109986.9928 298.7028 -161962.2919 -109629.8687 298.4165 30.3337 60.6259 761186.0688 11.7314 11.7829 PRESSURE: 4388000 -417.028 -87.3228 -303.407 -87.3235 96.9924 44.7639 -303.407 44.763 -130.515 GPRESSURE: 4388000 -242.616 -117.982 -408.266 -66.9083 -13.2184 60.0549 -230.17 91.7818 -107.611 PRESSAVG: 4388000 -41.4226 -3.07859 -21.3522 -3.07859 26.8533 2.02783 -21.3522 2.02784 8.65007 GPRESSAVG: 4388000 -41.6358 -3.23446 -19.2255 -4.64988 26.7906 2.00748 -21.6667 1.09925 8.74225 TIMING: 4388000 CPU: 13944.8, 0.00319479/step Wall: 13944.8, 0.00319479/step, 0.543115 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4388000 3930.5867 20410.2487 14418.3631 232.0545 -203337.8474 2430.5948 0.0000 0.0000 51838.6995 -110077.3000 297.9177 -161915.9995 -109711.7593 297.8633 -150.1837 -121.1483 761399.3969 -1.9731 -2.0343 PRESSURE: 4388200 78.8621 -34.9723 63.21 -34.9716 254.773 58.9413 63.2102 58.9418 -124.248 GPRESSURE: 4388200 146.202 -50.107 118.926 32.8639 208.647 32.8657 152.848 122.319 -71.9299 PRESSAVG: 4388200 -6.11812 9.13701 5.4742 9.13701 23.4524 23.5113 5.47421 23.5113 -10.2224 GPRESSAVG: 4388200 -7.3987 8.358 5.80765 10.177 24.3718 25.4114 5.36642 22.2483 -9.30841 TIMING: 4388200 CPU: 13945.4, 0.00319007/step Wall: 13945.4, 0.00319007/step, 0.542134 hours remaining, 238.355469 MB of memory in use. ENERGY: 4388200 3979.9666 20584.3792 14402.2387 245.7873 -203823.4003 2964.9277 0.0000 0.0000 51907.0781 -109739.0227 298.3107 -161646.1008 -109395.3329 298.1580 69.7957 94.3064 761702.8951 2.3706 2.5549 LDB: ============= START OF LOAD BALANCING ============== 13957.8 LDB: ============== END OF LOAD BALANCING =============== 13957.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13957.8 LDB: ============= START OF LOAD BALANCING ============== 13958.1 LDB: Largest compute 7058 load 0.035165 is 17.9% of average load 0.196073 LDB: Average compute 0.004395 is 2.2% of average load 0.196073 LDB: TIME 13958.2 LOAD: AVG 0.196073 MAX 0.218197 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 13958.2 LOAD: AVG 0.196073 MAX 0.218197 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.086 MB LDB: TIME 13958.2 LOAD: AVG 0.196073 MAX 0.218197 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.086 MB LDB: ============== END OF LOAD BALANCING =============== 13958.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13958.2 PRESSURE: 4388400 -346.77 -37.3324 -134.935 -37.3321 -196.225 302.511 -134.934 302.51 -308.806 GPRESSURE: 4388400 -305.132 31.9598 -127.701 22.6222 -208.461 294.474 -247.194 325.428 -245.911 PRESSAVG: 4388400 10.9101 -26.4059 20.598 -26.4059 -8.83249 23.6801 20.598 23.6801 -6.80828 GPRESSAVG: 4388400 11.8691 -24.1513 21.6254 -27.5061 -10.3682 20.4304 19.4597 27.1887 -6.17721 TIMING: 4388400 CPU: 13946.1, 0.00328463/step Wall: 13946.1, 0.00328463/step, 0.558022 hours remaining, 238.460938 MB of memory in use. ENERGY: 4388400 4046.9369 20519.8469 14448.6422 258.2643 -203387.5304 2403.2509 0.0000 0.0000 51776.2223 -109934.3669 297.5587 -161710.5892 -109580.4605 298.2807 -283.9335 -253.1680 763418.6064 -1.5769 -1.5588 PRESSURE: 4388600 230.063 139.72 24.1738 139.719 -159.252 -118.364 24.1735 -118.364 79.1921 GPRESSURE: 4388600 259.778 167.012 87.6063 44.7067 -153.665 -114.52 -67.2725 -33.9326 133.837 PRESSAVG: 4388600 16.3496 30.2593 -35.4245 30.2593 7.1724 40.8388 -35.4246 40.8388 3.46184 GPRESSAVG: 4388600 16.5197 27.8828 -37.6913 31.6547 8.16053 42.7111 -34.2174 38.0811 2.3187 TIMING: 4388600 CPU: 13946.7, 0.00319227/step Wall: 13946.7, 0.00319227/step, 0.542154 hours remaining, 238.664062 MB of memory in use. ENERGY: 4388600 3985.5790 20589.0931 14414.1353 243.0591 -203330.0213 2367.6422 0.0000 0.0000 51798.3091 -109932.2035 297.6856 -161730.5126 -109565.4936 298.1576 50.0010 79.9833 761227.4177 8.9946 8.9996 PRESSURE: 4388800 -14.9526 -105.665 -159.75 -105.665 82.8466 114.517 -159.749 114.517 -90.3984 GPRESSURE: 4388800 55.4301 -71.1977 -118.706 -137.995 104.671 96.5386 -98.9245 191.417 -90.7938 PRESSAVG: 4388800 21.1184 36.5709 -19.3956 36.5708 -11.4564 45.8083 -19.3956 45.8083 -3.99728 GPRESSAVG: 4388800 20.4156 39.1475 -19.4211 35.4971 -11.3982 47.6693 -19.0909 46.0062 -3.5252 TIMING: 4388800 CPU: 13947.4, 0.00318204/step Wall: 13947.4, 0.00318204/step, 0.54024 hours remaining, 238.664062 MB of memory in use. ENERGY: 4388800 4011.8584 20379.5212 14412.5908 256.7606 -203589.6892 2723.8167 0.0000 0.0000 52194.1372 -109611.0043 299.9604 -161805.1415 -109237.0820 298.5596 -7.5015 23.1024 760938.3933 1.8882 1.8308 PRESSURE: 4389000 383.517 45.5726 3.71196 45.573 646.433 53.5395 3.71136 53.5395 196.957 GPRESSURE: 4389000 410.428 -12.1199 -35.5143 41.8933 689.514 59.3021 35.2498 23.1298 213.434 PRESSAVG: 4389000 56.8601 33.0153 -30.8557 33.0153 7.52282 49.2453 -30.8557 49.2454 16.1134 GPRESSAVG: 4389000 56.5372 33.5574 -30.4012 30.9552 7.59874 45.8395 -29.878 51.3568 15.5564 TIMING: 4389000 CPU: 13948, 0.00318472/step Wall: 13948, 0.00318472/step, 0.540518 hours remaining, 238.664062 MB of memory in use. ENERGY: 4389000 3970.2673 20468.6664 14491.5253 250.1584 -203864.5724 2918.0177 0.0000 0.0000 52039.8728 -109726.0643 299.0739 -161765.9372 -109357.5295 298.9382 408.9691 437.7922 758533.8451 26.8321 26.5641 PRESSURE: 4389200 -149.689 233.52 52.3607 233.521 208.447 -244.628 52.3603 -244.629 -1.85375 GPRESSURE: 4389200 -39.8081 147.041 120.341 195.654 168.028 -237.402 112.275 -171.76 11.2534 PRESSAVG: 4389200 -8.65557 58.5862 -16.7377 58.5862 34.4453 -4.41196 -16.7377 -4.41203 39.0614 GPRESSAVG: 4389200 -6.90629 54.7414 -15.7081 61.0392 33.1536 -3.67055 -18.7203 -4.70412 38.8629 TIMING: 4389200 CPU: 13948.6, 0.00319053/step Wall: 13948.6, 0.00319053/step, 0.541326 hours remaining, 238.664062 MB of memory in use. ENERGY: 4389200 4000.4043 20445.5440 14410.7690 234.9702 -203256.8025 2416.0322 0.0000 0.0000 52110.3014 -109638.7814 299.4786 -161749.0828 -109279.7633 299.0658 18.9680 46.4910 761664.7887 21.6170 21.7034 PRESSURE: 4389400 -332.63 156.101 -359.898 156.102 81.5597 72.9374 -359.898 72.9372 -260.12 GPRESSURE: 4389400 -231.541 252.198 -348.571 64.5757 27.8758 187.269 -275.683 119.647 -231.811 PRESSAVG: 4389400 -77.441 22.1308 -41.7757 22.1309 42.6588 12.5157 -41.7757 12.5157 -2.32619 GPRESSAVG: 4389400 -80.0052 24.8679 -42.3543 23.1765 44.1757 13.039 -41.1378 13.3562 -1.28124 TIMING: 4389400 CPU: 13949.3, 0.00318494/step Wall: 13949.3, 0.00318494/step, 0.540202 hours remaining, 238.664062 MB of memory in use. ENERGY: 4389400 3976.7508 20611.3848 14466.3707 245.8225 -203511.9728 2628.4921 0.0000 0.0000 52042.6607 -109540.4911 299.0899 -161583.1518 -109174.7899 299.1989 -170.3968 -145.1586 761093.4068 -12.3695 -12.3703 PRESSURE: 4389600 21.4765 -172.689 -29.5953 -172.688 46.712 -39.9203 -29.5948 -39.9208 214.529 GPRESSURE: 4389600 34.2605 -58.7718 51.1244 -99.4604 132.897 -17.1709 -45.7732 -275.388 203.52 PRESSAVG: 4389600 6.73466 37.6929 -38.4059 37.693 10.7033 -18.0302 -38.4059 -18.0303 -0.488054 GPRESSAVG: 4389600 7.91709 37.4517 -38.434 38.5284 9.46568 -18.8651 -39.7408 -18.7667 -0.279072 TIMING: 4389600 CPU: 13949.9, 0.00316435/step Wall: 13949.9, 0.00316435/step, 0.536534 hours remaining, 238.664062 MB of memory in use. ENERGY: 4389600 3956.5605 20427.9294 14439.0330 264.1477 -203508.2739 2670.4771 0.0000 0.0000 52152.0301 -109598.0961 299.7184 -161750.1262 -109224.8876 298.8166 94.2390 123.5590 759932.7047 5.6500 5.7012 PRESSURE: 4389800 51.0914 -88.5215 -64.8496 -88.5222 -12.4167 247.606 -64.8511 247.606 -507.199 GPRESSURE: 4389800 70.5304 -27.3781 -85.0124 -75.4532 29.6323 194.579 5.53619 166.217 -498.433 PRESSAVG: 4389800 29.9138 -37.5868 -32.4134 -37.5868 17.7944 -30.155 -32.4135 -30.1549 25.0841 GPRESSAVG: 4389800 29.3916 -35.7454 -33.5235 -40.3559 18.3144 -30.5289 -28.7971 -31.692 24.7917 TIMING: 4389800 CPU: 13950.5, 0.00315028/step Wall: 13950.5, 0.00315028/step, 0.533972 hours remaining, 238.664062 MB of memory in use. ENERGY: 4389800 3972.1621 20532.2374 14446.3014 259.1891 -203191.3928 2547.1577 0.0000 0.0000 51835.1124 -109599.2328 297.8971 -161434.3452 -109242.5723 299.0600 -156.1746 -132.7567 760318.5219 24.2641 24.1659 PRESSURE: 4390000 -31.7984 57.6482 -48.3376 57.649 128.853 17.2626 -48.3374 17.2619 152.492 GPRESSURE: 4390000 97.643 77.713 -96.2235 -13.2669 135.975 -12.332 -71.3367 151.474 98.2257 PRESSAVG: 4390000 37.4047 -8.00751 -2.59776 -8.00754 32.874 -48.8177 -2.59778 -48.8177 6.65862 GPRESSAVG: 4390000 36.9934 -8.21519 -3.0018 -8.60502 32.5163 -46.9052 -4.01407 -48.9242 6.85692 TIMING: 4390000 CPU: 13951.2, 0.00315616/step Wall: 13951.2, 0.00315616/step, 0.534794 hours remaining, 238.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4390000 3961.4167 20513.9599 14392.9045 235.9766 -203623.2837 2874.4518 0.0000 0.0000 52004.5846 -109639.9895 298.8711 -161644.5742 -109281.8486 299.4465 83.1823 110.6146 760315.3101 25.6458 25.4555 PRESSURE: 4390200 -38.6852 -287.32 -95.7301 -287.32 319.432 77.7628 -95.7303 77.7629 -39.6255 GPRESSURE: 4390200 15.8083 -279.427 -87.28 -206.232 309.931 152.895 -103.271 115.58 5.08155 PRESSAVG: 4390200 -20.2331 6.18422 21.459 6.18425 25.9303 44.854 21.459 44.854 -3.82732 GPRESSAVG: 4390200 -19.5548 5.53517 21.7277 7.96397 24.9988 43.5779 19.9023 44.3123 -4.32184 TIMING: 4390200 CPU: 13951.8, 0.00315617/step Wall: 13951.8, 0.00315618/step, 0.534621 hours remaining, 238.664062 MB of memory in use. ENERGY: 4390200 3987.1039 20465.2884 14416.9458 262.0588 -203619.8105 2728.4033 0.0000 0.0000 52120.3504 -109639.6599 299.5364 -161760.0103 -109281.7581 299.0351 80.3739 110.2735 759410.8600 0.6233 0.3741 PRESSURE: 4390400 -93.9084 91.5236 51.7195 91.5228 -369.689 -129.914 51.7197 -129.914 -250 GPRESSURE: 4390400 -43.139 71.893 -12.7104 132.711 -341.496 -93.163 -36.8322 29.0685 -240.563 PRESSAVG: 4390400 -9.70344 6.77391 10.3426 6.77391 12.1858 -27.7138 10.3425 -27.7138 -14.2705 GPRESSAVG: 4390400 -9.64738 7.15324 9.89465 5.71936 13.261 -27.0707 10.8672 -25.402 -15.5111 TIMING: 4390400 CPU: 13952.4, 0.00317253/step Wall: 13952.4, 0.00317253/step, 0.537215 hours remaining, 238.664062 MB of memory in use. ENERGY: 4390400 4038.9637 20545.9175 14351.4887 242.4777 -203248.1132 2415.4111 0.0000 0.0000 51982.4857 -109671.3688 298.7441 -161653.8545 -109314.4995 298.7316 -237.8657 -208.3995 760852.8236 -3.9294 -3.9658 PRESSURE: 4390600 5.25902 -68.0621 -16.5372 -68.0625 56.7617 -3.48868 -16.5362 -3.48813 67.4971 GPRESSURE: 4390600 62.6208 45.131 106.943 10.4462 46.033 -9.29916 -58.2687 -22.5169 81.7096 PRESSAVG: 4390600 57.7444 4.18718 -36.2249 4.18714 -74.0542 -12.567 -36.2249 -12.5669 -6.379 GPRESSAVG: 4390600 57.5499 2.20929 -34.2527 5.9081 -73.4333 -12.0962 -38.4501 -14.3418 -6.80266 TIMING: 4390600 CPU: 13953.1, 0.00316414/step Wall: 13953.1, 0.00316414/step, 0.535618 hours remaining, 238.664062 MB of memory in use. ENERGY: 4390600 3930.8168 20686.6239 14344.3625 243.8530 -203538.5119 2775.4773 0.0000 0.0000 51882.1064 -109675.2722 298.1672 -161557.3785 -109321.7960 298.9612 43.1726 63.4545 761457.7935 -7.5630 -7.5620 PRESSURE: 4390800 55.3258 -82.1072 -136.487 -82.1072 -264.824 -88.7206 -136.487 -88.7214 -93.4669 GPRESSURE: 4390800 23.8587 -144.995 -203.351 70.0036 -145.698 -73.7092 -35.705 -60.048 -65.1674 PRESSAVG: 4390800 -7.54227 56.7689 -54.9213 56.7689 -25.7944 -61.449 -54.9213 -61.4491 -7.78409 GPRESSAVG: 4390800 -7.6329 57.1376 -58.4484 56.2755 -27.2784 -62.2365 -50.843 -57.7674 -6.45257 TIMING: 4390800 CPU: 13953.7, 0.00313996/step Wall: 13953.7, 0.00313996/step, 0.53135 hours remaining, 238.664062 MB of memory in use. ENERGY: 4390800 3966.0968 20543.9669 14311.1834 225.2936 -203284.0851 2614.6800 0.0000 0.0000 51990.1626 -109632.7019 298.7882 -161622.8645 -109264.9901 298.7738 -100.9884 -62.3355 761552.8246 -13.7069 -13.7879 PRESSURE: 4391000 -584.848 277.139 104.898 277.139 -371.108 114.307 104.899 114.308 -169.454 GPRESSURE: 4391000 -510.9 204.433 69.1924 287.611 -286.523 45.4236 -2.17737 27.1594 -226.255 PRESSAVG: 4391000 -78.1495 25.3696 -45.2732 25.3695 20.4643 -18.0642 -45.2732 -18.0643 -19.5663 GPRESSAVG: 4391000 -77.8877 24.9246 -43.508 24.7184 19.524 -18.6034 -44.5776 -19.5065 -19.3569 TIMING: 4391000 CPU: 13954.3, 0.00316035/step Wall: 13954.3, 0.00316035/step, 0.534626 hours remaining, 238.664062 MB of memory in use. ENERGY: 4391000 4066.3037 20525.5920 14309.7192 249.4159 -203109.8982 2435.8392 0.0000 0.0000 51991.1068 -109531.9213 298.7936 -161523.0281 -109171.6653 298.6658 -375.1364 -341.2259 763304.6735 -25.7505 -25.9069 PRESSURE: 4391200 -66.3588 -3.46676 13.7583 -3.46628 214.762 -51.8526 13.7577 -51.853 234.295 GPRESSURE: 4391200 -37.676 -33.0521 103.087 -11.8862 262.103 -1.81744 -96.5845 -196.489 266.668 PRESSAVG: 4391200 -33.0828 25.7849 -7.95596 25.7849 -11.4881 -46.1082 -7.956 -46.1081 0.45792 GPRESSAVG: 4391200 -33.8526 25.6942 -8.31647 25.3211 -10.1151 -45.075 -10.1134 -48.1723 -0.304964 TIMING: 4391200 CPU: 13954.9, 0.00316123/step Wall: 13954.9, 0.00316123/step, 0.534599 hours remaining, 238.664062 MB of memory in use. ENERGY: 4391200 4003.2213 20550.5439 14379.5963 274.5125 -203447.7928 2743.2401 0.0000 0.0000 51820.4720 -109676.2066 297.8130 -161496.6786 -109314.5180 298.7558 127.5661 163.6982 761704.1779 -14.7043 -14.7575 PRESSURE: 4391400 -178.55 84.8472 -81.6316 84.8477 79.0945 104.287 -81.6317 104.287 216.306 GPRESSURE: 4391400 -192.201 51.2814 -111.372 27.4939 122.495 75.9747 -6.80914 132.234 253.384 PRESSAVG: 4391400 -112.519 17.1614 18.833 17.1614 58.343 13.3768 18.833 13.3769 30.5238 GPRESSAVG: 4391400 -112.418 17.4967 19.7405 16.0221 57.8587 11.8323 18.9669 15.5492 30.8437 TIMING: 4391400 CPU: 13955.6, 0.00316849/step Wall: 13955.6, 0.00316849/step, 0.535652 hours remaining, 238.664062 MB of memory in use. ENERGY: 4391400 4037.4490 20372.2271 14346.2718 234.1666 -203286.3901 2649.9790 0.0000 0.0000 51881.7635 -109764.5330 298.1652 -161646.2966 -109408.7922 298.4177 38.9502 61.2264 761885.5780 -7.8841 -7.9053 PRESSURE: 4391600 -384.104 27.3742 -58.8877 27.3738 -87.1618 -135.223 -58.8884 -135.223 -20.2134 GPRESSURE: 4391600 -413.139 50.8334 11.4751 32.8196 -6.02411 -96.6024 44.3969 -116.386 -5.90606 PRESSAVG: 4391600 -23.3035 -21.2609 -9.11451 -21.2608 11.3117 26.7828 -9.11452 26.7828 8.79504 GPRESSAVG: 4391600 -24.0905 -20.0711 -9.08671 -21.0811 11.0637 30.3798 -5.66107 24.8299 9.84067 TIMING: 4391600 CPU: 13956.2, 0.00317457/step Wall: 13956.2, 0.00317457/step, 0.536503 hours remaining, 238.664062 MB of memory in use. ENERGY: 4391600 3948.6588 20396.2831 14446.0385 249.5567 -203357.6413 2465.6555 0.0000 0.0000 51900.0527 -109951.3960 298.2703 -161851.4487 -109577.2677 298.3857 -163.8263 -141.6896 761806.4040 -1.0656 -1.0620 PRESSURE: 4391800 16.668 5.26852 -129.792 5.26876 -210.026 -10.0716 -129.793 -10.0706 -358.066 GPRESSURE: 4391800 -31.6611 -56.4892 -7.28496 -60.5712 -192.853 -25.5784 -165.485 -164.714 -244.724 PRESSAVG: 4391800 -21.4926 -38.1684 7.03629 -38.1683 8.48374 31.2283 7.03633 31.2283 -17.8891 GPRESSAVG: 4391800 -22.2566 -42.0472 5.74765 -36.8737 9.58786 29.4005 5.99084 31.6112 -18.3267 TIMING: 4391800 CPU: 13956.9, 0.00316452/step Wall: 13956.9, 0.00316452/step, 0.534628 hours remaining, 238.664062 MB of memory in use. ENERGY: 4391800 4026.0028 20465.3604 14367.1937 242.8561 -203121.6072 2535.9494 0.0000 0.0000 51798.4607 -109685.7840 297.6865 -161484.2447 -109340.3398 298.3403 -183.8079 -156.4127 762186.5443 -10.2993 -10.3318 PRESSURE: 4392000 -71.2253 -554.926 302.367 -554.926 -257.193 280.797 302.368 280.796 67.0933 GPRESSURE: 4392000 -109.694 -442.842 311.445 -434.215 -193.603 296.037 179.297 272.586 128.934 PRESSAVG: 4392000 -0.777561 9.08136 3.25538 9.08139 6.78489 64.7184 3.25539 64.7182 16.0187 GPRESSAVG: 4392000 -0.0333824 12.8285 4.01134 9.41418 5.8538 64.054 2.6329 63.9267 16.2636 TIMING: 4392000 CPU: 13957.5, 0.00316877/step Wall: 13957.5, 0.00316877/step, 0.535171 hours remaining, 238.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4392000 3953.8507 20575.9416 14348.9618 234.0443 -203236.9457 2522.9206 0.0000 0.0000 52059.8777 -109541.3489 299.1888 -161601.2267 -109180.9999 298.9837 -87.1084 -58.1213 761542.4219 7.3420 7.3613 PRESSURE: 4392200 -181.003 177.53 145.923 177.53 -65.3568 94.3149 145.922 94.315 61.9003 GPRESSURE: 4392200 -8.45463 125.117 234.956 91.1232 -131.721 -1.63834 143.119 41.077 40.3957 PRESSAVG: 4392200 -3.58825 -59.9373 8.85404 -59.9373 6.30146 24.1205 8.85402 24.1204 -2.90093 GPRESSAVG: 4392200 -3.02575 -61.4253 9.73552 -60.8575 6.75665 25.0922 7.79898 25.0173 -4.07358 TIMING: 4392200 CPU: 13958.1, 0.00317563/step Wall: 13958.1, 0.00317563/step, 0.536152 hours remaining, 238.664062 MB of memory in use. ENERGY: 4392200 3937.8303 20439.4255 14391.7863 260.3218 -203261.4720 2456.8895 0.0000 0.0000 52153.6776 -109621.5410 299.7279 -161775.2186 -109255.5416 299.2453 -61.4865 -33.2599 760568.4985 -0.0626 -0.1142 LDB: ============= START OF LOAD BALANCING ============== 13970.5 LDB: ============== END OF LOAD BALANCING =============== 13970.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13970.5 LDB: ============= START OF LOAD BALANCING ============== 13970.8 LDB: Largest compute 7049 load 0.038143 is 19.4% of average load 0.196133 LDB: Average compute 0.004384 is 2.2% of average load 0.196133 LDB: TIME 13970.8 LOAD: AVG 0.196133 MAX 0.221896 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 13970.8 LOAD: AVG 0.196133 MAX 0.221896 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: TIME 13970.8 LOAD: AVG 0.196133 MAX 0.221896 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13970.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13970.8 PRESSURE: 4392400 -151.118 -40.5179 -283.164 -40.5183 -113.88 -67.5454 -283.164 -67.5457 -171.084 GPRESSURE: 4392400 -119.399 -5.41536 -235.265 -47.0589 -83.1741 -37.3983 -262.471 93.4265 -149.904 PRESSAVG: 4392400 -20.6379 -9.75419 -1.39865 -9.75416 7.47227 -2.99097 -1.39867 -2.99098 -20.1012 GPRESSAVG: 4392400 -20.7042 -11.3007 -2.61078 -8.53952 5.78343 -3.96621 -1.34785 -1.03105 -18.8113 TIMING: 4392400 CPU: 13958.8, 0.0032353/step Wall: 13958.8, 0.0032353/step, 0.546047 hours remaining, 239.441406 MB of memory in use. ENERGY: 4392400 4009.4744 20492.0194 14433.8958 262.1183 -203030.2030 2462.8429 0.0000 0.0000 51955.9143 -109413.9379 298.5914 -161369.8522 -109060.7496 298.6673 -145.3605 -117.4923 761687.0825 -11.0889 -11.2440 PRESSURE: 4392600 -334.426 -195.501 -173.016 -195.502 -178.992 -259.591 -173.015 -259.592 58.4742 GPRESSURE: 4392600 -150.613 -214.805 -164.015 -215.612 -261.264 -244.933 -112.856 -123.69 42.1952 PRESSAVG: 4392600 -0.810586 -94.9353 -1.07998 -94.9353 -0.685973 36.6846 -1.08005 36.6845 1.99965 GPRESSAVG: 4392600 0.668781 -92.0016 1.24668 -96.7846 0.487107 37.5861 -1.06689 35.0984 -0.240164 TIMING: 4392600 CPU: 13959.4, 0.00316617/step Wall: 13959.4, 0.00316617/step, 0.534204 hours remaining, 239.644531 MB of memory in use. ENERGY: 4392600 3966.0367 20555.6604 14436.4961 224.1217 -203126.6327 2517.8782 0.0000 0.0000 51994.0915 -109432.3481 298.8108 -161426.4396 -109077.2596 299.3369 -151.6481 -123.2271 762268.5610 0.1677 0.3052 PRESSURE: 4392800 -5.38096 -6.63627 88.4312 -6.63648 170.155 -10.9283 88.4318 -10.9292 147.761 GPRESSURE: 4392800 32.7991 -29.9318 85.4198 -45.6395 191.709 95.2991 113.311 45.8793 169.739 PRESSAVG: 4392800 -60.3737 -29.1809 -20.5449 -29.1809 38.1488 23.627 -20.545 23.6269 -0.57394 GPRESSAVG: 4392800 -61.2476 -30.3928 -23.3774 -27.8427 38.8355 23.5541 -18.503 22.7781 -0.362512 TIMING: 4392800 CPU: 13960, 0.00316135/step Wall: 13960, 0.00316135/step, 0.533215 hours remaining, 239.644531 MB of memory in use. ENERGY: 4392800 3935.1015 20501.4745 14335.0148 245.0446 -203920.4382 3070.3214 0.0000 0.0000 52206.9641 -109626.5173 300.0341 -161833.4814 -109265.0209 298.8175 104.1782 131.4156 761562.6003 -7.5996 -7.5915 PRESSURE: 4393000 -232.749 -117.879 8.35411 -117.879 -191.463 6.78378 8.35554 6.78341 -88.2307 GPRESSURE: 4393000 -185.312 -135.842 -58.9667 -76.3921 -184.763 37.5234 117.203 62.2195 -54.6869 PRESSAVG: 4393000 -20.7539 -42.1838 17.2114 -42.1838 20.2689 68.2911 17.2114 68.291 -21.7373 GPRESSAVG: 4393000 -20.8642 -43.635 19.0472 -41.0711 20.7984 68.045 14.9732 67.8319 -22.3328 TIMING: 4393000 CPU: 13960.7, 0.00317129/step Wall: 13960.7, 0.00317129/step, 0.534714 hours remaining, 239.644531 MB of memory in use. ENERGY: 4393000 4010.9250 20406.1979 14375.8054 253.2411 -203195.1483 2508.2420 0.0000 0.0000 52061.8613 -109578.8757 299.2002 -161640.7369 -109224.0810 298.8296 -170.8142 -141.5872 762914.1960 -7.4074 -7.4662 PRESSURE: 4393200 -93.4683 -181.654 -54.8276 -181.654 -368.658 -262.949 -54.8275 -262.95 -71.4351 GPRESSURE: 4393200 -130.374 -95.0691 -70.6411 -195.672 -307.726 -266.725 -100.766 -350.273 -29.9735 PRESSAVG: 4393200 4.62998 -34.0015 17.8589 -34.0015 13.8631 1.80611 17.8589 1.80609 35.9644 GPRESSAVG: 4393200 4.82409 -31.0706 17.6758 -34.9203 13.1346 0.251037 14.9787 4.3676 36.7535 TIMING: 4393200 CPU: 13961.3, 0.00316425/step Wall: 13961.3, 0.00316424/step, 0.533351 hours remaining, 239.644531 MB of memory in use. ENERGY: 4393200 4032.8480 20630.4022 14347.3433 253.3584 -203434.2883 2645.2148 0.0000 0.0000 51979.4577 -109545.6639 298.7267 -161525.1216 -109182.5733 298.9373 -177.8536 -156.0244 761448.0270 18.1525 18.2374 PRESSURE: 4393400 89.6071 147.187 107.235 147.187 9.57932 35.2527 107.235 35.2522 -43.3474 GPRESSURE: 4393400 92.4692 81.3619 120.143 112.508 -46.8737 18.6951 22.0485 43.3305 84.6143 PRESSAVG: 4393400 31.4889 -21.9298 22.5324 -21.9298 16.7691 2.56965 22.5325 2.56961 -9.19188 GPRESSAVG: 4393400 32.1937 -22.9904 20.5931 -20.9975 15.5772 3.19912 25.2324 1.59446 -8.41766 TIMING: 4393400 CPU: 13961.9, 0.00319346/step Wall: 13961.9, 0.00319346/step, 0.538098 hours remaining, 239.644531 MB of memory in use. ENERGY: 4393400 3965.0433 20469.9006 14395.2001 246.0099 -203484.3779 2633.0454 0.0000 0.0000 52256.3641 -109518.8145 300.3180 -161775.1786 -109145.3341 299.3248 18.6130 43.4032 761607.6728 13.0221 13.1178 PRESSURE: 4393600 200.513 184.368 39.2023 184.367 303.4 -86.7716 39.2019 -86.7724 -383.059 GPRESSURE: 4393600 190.688 251.334 145.789 114.284 357.192 -43.754 12.2238 -186.283 -356.876 PRESSAVG: 4393600 14.3702 -1.83472 38.9274 -1.8347 -51.9739 40.3932 38.9274 40.3932 18.9267 GPRESSAVG: 4393600 12.6758 -1.18619 41.4384 -3.32335 -49.5043 40.3257 38.6425 39.7475 18.0115 TIMING: 4393600 CPU: 13962.6, 0.00318233/step Wall: 13962.6, 0.00318233/step, 0.536045 hours remaining, 239.644531 MB of memory in use. ENERGY: 4393600 4056.0280 20506.8334 14418.2059 268.6434 -203569.9473 2795.3323 0.0000 0.0000 52055.9436 -109468.9607 299.1662 -161524.9043 -109109.2455 299.5043 40.2848 63.6680 761492.5592 -6.2257 -6.2723 PRESSURE: 4393800 -22.9826 25.0856 -144.681 25.0858 84.4419 -15.4524 -144.68 -15.4527 -127.399 GPRESSURE: 4393800 13.8172 42.9839 -168.414 155.587 89.8798 77.7582 -114.02 -45.3289 -87.074 PRESSAVG: 4393800 10.978 -30.9539 10.7304 -30.9539 1.12858 40.9095 10.7303 40.9095 -3.14266 GPRESSAVG: 4393800 12.7576 -31.7819 8.7494 -29.8267 -0.367293 41.9606 12.8403 40.6157 -2.89321 TIMING: 4393800 CPU: 13963.2, 0.00318881/step Wall: 13963.2, 0.00318881/step, 0.53696 hours remaining, 239.644531 MB of memory in use. ENERGY: 4393800 4007.9537 20567.9673 14328.2014 258.7613 -203379.9166 2654.7875 0.0000 0.0000 52139.0399 -109423.2055 299.6438 -161562.2454 -109058.5308 298.9838 -21.9799 5.5410 760707.2924 2.9880 3.1657 PRESSURE: 4394000 40.3182 -10.4897 60.1254 -10.4898 -23.9914 107.752 60.1258 107.752 214.121 GPRESSURE: 4394000 -5.56204 -120.532 67.8365 -54.8366 9.63076 189.231 -40.2793 222.937 299.251 PRESSAVG: 4394000 -13.9941 -45.6841 -10.749 -45.6841 -4.41788 -0.0504287 -10.749 -0.0504567 -6.34226 GPRESSAVG: 4394000 -14.5521 -46.5143 -10.1879 -44.8789 -3.51681 -2.0551 -12.2458 2.93043 -6.24027 TIMING: 4394000 CPU: 13963.9, 0.00319579/step Wall: 13963.9, 0.00319579/step, 0.537957 hours remaining, 239.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4394000 3955.5216 20507.0189 14330.6714 258.6612 -203550.0887 2603.0453 0.0000 0.0000 52216.9052 -109678.2650 300.0913 -161895.1702 -109320.7193 298.1818 76.8160 101.1066 761177.6081 -8.2514 -8.1030 PRESSURE: 4394200 -66.8332 -85.772 -126.003 -85.771 -201.133 80.1697 -126.002 80.1698 32.0801 GPRESSURE: 4394200 -10.5987 -129.026 -120.175 -48.808 -239.336 102.598 -148.073 74.9918 88.1991 PRESSAVG: 4394200 -17.461 -24.1798 -8.42917 -24.1798 16.5297 53.7974 -8.42919 53.7974 -20.065 GPRESSAVG: 4394200 -17.5957 -22.9036 -8.28302 -23.8738 15.6792 56.1641 -8.35341 51.3766 -19.0953 TIMING: 4394200 CPU: 13964.5, 0.00317384/step Wall: 13964.5, 0.00317384/step, 0.534087 hours remaining, 239.644531 MB of memory in use. ENERGY: 4394200 4066.0422 20492.4042 14361.9644 250.0200 -203397.9712 2517.3452 0.0000 0.0000 52162.4913 -109547.7039 299.7786 -161710.1953 -109184.4984 299.2715 -78.6286 -53.9119 760416.0287 -6.9988 -7.0039 PRESSURE: 4394400 110.643 32.1001 -9.24604 32.0998 475.409 -236.905 -9.24666 -236.905 197.822 GPRESSURE: 4394400 119.543 89.6644 41.0875 2.16534 475.111 -188.75 -25.0182 -146.927 255.747 PRESSAVG: 4394400 -10.7507 -20.8612 15.4758 -20.8612 18.3925 19.0157 15.4758 19.0157 -4.1539 GPRESSAVG: 4394400 -10.6171 -20.4865 14.0262 -20.8925 18.6643 17.5775 16.3173 18.5054 -4.73737 TIMING: 4394400 CPU: 13965.1, 0.00319777/step Wall: 13965.1, 0.00319777/step, 0.537935 hours remaining, 239.644531 MB of memory in use. ENERGY: 4394400 3951.5918 20584.5081 14319.5010 238.8836 -203033.8256 2479.8614 0.0000 0.0000 52031.8915 -109427.5880 299.0280 -161459.4795 -109064.9199 299.5193 261.2915 283.4669 759770.1725 1.1626 1.1033 PRESSURE: 4394600 43.4168 167.438 -273.133 167.439 -90.9695 325.434 -273.132 325.436 -147.249 GPRESSURE: 4394600 108.845 180.764 -236.796 234.664 -41.9345 253.705 -286.191 258.151 -187.034 PRESSAVG: 4394600 -16.6578 -7.66742 -17.5156 -7.66751 10.3924 38.4438 -17.5156 38.4438 -3.76744 GPRESSAVG: 4394600 -15.8085 -7.41422 -17.1173 -9.26843 11.154 39.1748 -17.47 38.4659 -4.84038 TIMING: 4394600 CPU: 13965.8, 0.00317328/step Wall: 13965.8, 0.00317328/step, 0.53364 hours remaining, 239.644531 MB of memory in use. ENERGY: 4394600 3979.9075 20582.0507 14374.0321 235.3073 -203216.4216 2418.5673 0.0000 0.0000 52216.5564 -109410.0003 300.0893 -161626.5567 -109040.2298 299.3602 -64.9340 -40.0411 759326.8957 -3.3443 -3.1650 PRESSURE: 4394800 -345.812 -78.8246 51.1886 -78.8239 -310.6 -109.315 51.1892 -109.316 -67.3273 GPRESSURE: 4394800 -344.644 -26.422 -3.42107 -167.608 -285.204 -142.241 -57.3295 -205.606 -13.8631 PRESSAVG: 4394800 52.3515 -12.8335 -60.1666 -12.8335 -84.4849 -0.318309 -60.1666 -0.31827 8.46408 GPRESSAVG: 4394800 52.3086 -13.2188 -61.2125 -13.1619 -85.2836 -1.59418 -60.1993 2.05026 9.59154 TIMING: 4394800 CPU: 13966.4, 0.00317121/step Wall: 13966.4, 0.00317121/step, 0.533116 hours remaining, 239.644531 MB of memory in use. ENERGY: 4394800 4050.7577 20704.4759 14375.9643 274.7127 -203260.0565 2408.4467 0.0000 0.0000 52192.6182 -109253.0810 299.9517 -161445.6992 -108885.5756 299.6759 -241.2462 -214.5704 762193.8292 -7.8898 -7.7945 PRESSURE: 4395000 246.58 223.462 150.24 223.462 -145.296 192.325 150.24 192.326 235.632 GPRESSURE: 4395000 269.12 200.913 173.046 178.217 -124.344 172.555 160.188 196.412 280.184 PRESSAVG: 4395000 57.8669 30.9386 -3.63672 30.9386 -50.6817 18.1144 -3.63673 18.1143 -4.26082 GPRESSAVG: 4395000 57.7978 32.1834 -3.13076 30.2991 -49.7675 17.7886 -4.84617 17.0961 -5.03121 TIMING: 4395000 CPU: 13967, 0.00316478/step Wall: 13967, 0.00316478/step, 0.531859 hours remaining, 239.644531 MB of memory in use. ENERGY: 4395000 4002.9282 20608.3286 14381.6872 233.2869 -203377.2772 2740.1938 0.0000 0.0000 52194.7740 -109216.0785 299.9641 -161410.8525 -108847.0488 299.8605 112.3052 141.6534 761808.2008 0.9748 0.9997 PRESSURE: 4395200 69.6629 -131.946 -17.6351 -131.946 116.379 -86.6881 -17.6344 -86.6881 118.726 GPRESSURE: 4395200 72.1848 -36.6394 29.151 -170.488 186.162 -73.9209 29.7798 -4.54544 142.377 PRESSAVG: 4395200 72.7594 -9.04041 30.7984 -9.04039 -47.6396 66.5875 30.7984 66.5874 10.0313 GPRESSAVG: 4395200 72.6257 -10.3306 31.708 -8.05344 -47.3753 68.5322 31.3891 65.906 10.1699 TIMING: 4395200 CPU: 13967.7, 0.00317496/step Wall: 13967.7, 0.00317496/step, 0.533393 hours remaining, 239.644531 MB of memory in use. ENERGY: 4395200 3976.8544 20507.2790 14407.0418 231.6165 -203125.6926 2810.8476 0.0000 0.0000 52014.2336 -109177.8197 298.9265 -161192.0533 -108814.8533 299.7553 101.5892 133.5747 762427.1524 11.7170 11.8068 PRESSURE: 4395400 168.023 83.6275 -53.0775 83.6282 74.623 76.0217 -53.0771 76.0215 -195.492 GPRESSURE: 4395400 243.52 50.5995 -52.4002 83.4903 130.648 3.54577 20.1075 -24.6276 -244.592 PRESSAVG: 4395400 -0.110265 -50.9989 -53.2634 -50.9989 10.6801 21.8909 -53.2634 21.8908 2.68887 GPRESSAVG: 4395400 -0.310506 -52.4777 -52.8401 -49.9371 11.0304 20.4271 -54.7591 22.9194 2.84894 TIMING: 4395400 CPU: 13968.3, 0.00317627/step Wall: 13968.3, 0.00317627/step, 0.533437 hours remaining, 239.644531 MB of memory in use. ENERGY: 4395400 4039.0714 20581.8407 14356.4515 245.5842 -203358.4324 2702.6451 0.0000 0.0000 52184.4941 -109248.3455 299.9050 -161432.8396 -108880.4627 299.7405 15.7180 43.1918 760803.3634 4.4196 4.5229 PRESSURE: 4395600 9.70095 -22.7623 -102.189 -22.7626 -62.3306 -76.4997 -102.189 -76.5003 -577.386 GPRESSURE: 4395600 -104.014 -5.34599 -65.336 55.044 67.3807 -108.341 -91.1659 -81.9643 -513.831 PRESSAVG: 4395600 -7.55216 -10.8083 -53.3037 -10.8083 21.7474 18.0552 -53.3037 18.0554 -2.5149 GPRESSAVG: 4395600 -6.79481 -10.0186 -53.1959 -10.1026 21.741 20.1907 -52.6155 15.4063 -2.59962 TIMING: 4395600 CPU: 13968.9, 0.00315355/step Wall: 13968.9, 0.00315355/step, 0.529446 hours remaining, 239.644531 MB of memory in use. ENERGY: 4395600 3983.3093 20690.7654 14370.9330 238.0981 -203500.4345 2577.5900 0.0000 0.0000 52233.5705 -109406.1681 300.1870 -161639.7386 -109036.5170 299.5116 -210.0051 -183.4881 762193.0091 3.8935 4.1155 PRESSURE: 4395800 37.3501 37.5931 -56.9789 37.5933 -614.051 -154.468 -56.9788 -154.468 -109.509 GPRESSURE: 4395800 87.4407 147.823 -25.2596 8.63027 -486.147 -173.114 -135.109 -179.026 -222.919 PRESSAVG: 4395800 3.14027 9.39273 2.39585 9.39275 0.436023 -9.75925 2.39592 -9.7593 6.87862 GPRESSAVG: 4395800 3.12608 10.5186 1.04942 9.41255 0.277735 -10.0722 2.18059 -6.43767 6.25647 TIMING: 4395800 CPU: 13969.6, 0.00318658/step Wall: 13969.6, 0.00318658/step, 0.534815 hours remaining, 239.644531 MB of memory in use. ENERGY: 4395800 4021.8199 20565.1186 14359.6768 260.4352 -203294.5768 2491.2602 0.0000 0.0000 52201.7187 -109394.5474 300.0040 -161596.2661 -109045.5296 299.1622 -228.7364 -207.2085 760792.7621 3.4850 3.2201 PRESSURE: 4396000 14.8169 11.4159 -124.665 11.4165 -73.3143 -69.568 -124.665 -69.5687 -77.8101 GPRESSURE: 4396000 0.328913 -33.4732 -168.964 51.5284 1.26469 -16.83 -78.6531 -30.3129 -49.3858 PRESSAVG: 4396000 29.2847 18.5541 10.8036 18.5542 6.316 -27.7255 10.8037 -27.7255 -0.359529 GPRESSAVG: 4396000 28.687 17.8205 11.0292 17.1295 6.48376 -28.4549 11.9652 -26.7437 -0.173387 TIMING: 4396000 CPU: 13970.2, 0.00317826/step Wall: 13970.2, 0.00317826/step, 0.533242 hours remaining, 239.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4396000 3967.3562 20645.7370 14450.2624 245.3371 -203178.4432 2688.0378 0.0000 0.0000 51746.8898 -109434.8227 297.3901 -161181.7126 -109079.3121 299.0211 -45.4358 -15.9307 761524.2824 11.7470 11.6658 PRESSURE: 4396200 -50.861 90.5902 -309.767 90.5902 135.171 171.553 -309.766 171.553 104.058 GPRESSURE: 4396200 128.188 83.3305 -321.774 197.661 91.7033 130.61 -211.018 5.85821 36.1918 PRESSAVG: 4396200 2.2585 4.92127 -2.42552 4.92127 22.396 21.4208 -2.42551 21.4209 19.1255 GPRESSAVG: 4396200 3.20999 5.69674 -1.75624 6.56844 20.9941 20.4399 -2.79905 19.1101 19.5201 TIMING: 4396200 CPU: 13970.8, 0.00317439/step Wall: 13970.8, 0.00317439/step, 0.532416 hours remaining, 239.644531 MB of memory in use. ENERGY: 4396200 4072.6891 20515.5314 14436.8530 256.9813 -202957.4998 2637.8984 0.0000 0.0000 51810.8231 -109226.7235 297.7575 -161037.5466 -108861.9526 299.0164 62.7893 85.3610 761739.4822 14.5933 14.5747 LDB: ============= START OF LOAD BALANCING ============== 13983.2 LDB: ============== END OF LOAD BALANCING =============== 13983.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13983.2 LDB: ============= START OF LOAD BALANCING ============== 13983.6 LDB: Largest compute 7049 load 0.038826 is 19.8% of average load 0.196017 LDB: Average compute 0.004388 is 2.2% of average load 0.196017 LDB: TIME 13983.6 LOAD: AVG 0.196017 MAX 0.222444 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 13983.6 LOAD: AVG 0.196017 MAX 0.222444 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 13983.6 LOAD: AVG 0.196017 MAX 0.218227 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 13983.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13983.6 PRESSURE: 4396400 190.836 156.178 162.453 156.179 308.309 26.7285 162.453 26.7278 172.145 GPRESSURE: 4396400 299.204 119.35 215.52 57.599 279.653 101.237 176.687 44.054 154.038 PRESSAVG: 4396400 -18.8325 -49.6105 9.30278 -49.6105 65.5936 35.4155 9.30279 35.4154 -11.0773 GPRESSAVG: 4396400 -18.9575 -50.2881 9.14403 -49.4652 67.2769 35.7036 8.59089 36.2147 -12.6881 TIMING: 4396400 CPU: 13971.5, 0.00325006/step Wall: 13971.5, 0.00325006/step, 0.544927 hours remaining, 238.992188 MB of memory in use. ENERGY: 4396400 4039.0633 20656.4940 14427.8894 251.5248 -203328.5595 2739.0197 0.0000 0.0000 52074.7431 -109139.8253 299.2743 -161214.5684 -108782.5412 299.7860 223.7633 244.2984 762185.4742 11.8946 11.8771 PRESSURE: 4396600 -243.449 142.184 95.6779 142.184 -312.307 -25.6254 95.6785 -25.6251 -137.672 GPRESSURE: 4396600 -189.862 49.2089 6.20435 92.3099 -202.993 63.4836 -4.67703 -146.368 -225.836 PRESSAVG: 4396600 60.2355 -32.0527 20.7345 -32.0527 -47.3543 27.9103 20.7346 27.9103 -3.03826 GPRESSAVG: 4396600 59.3657 -31.6195 19.769 -33.4976 -47.9766 28.6293 20.4301 25.9967 -1.0821 TIMING: 4396600 CPU: 13972.1, 0.00316911/step Wall: 13972.1, 0.00316911/step, 0.531179 hours remaining, 239.195312 MB of memory in use. ENERGY: 4396600 3998.1428 20610.9843 14336.4424 244.0978 -203257.6295 2631.9614 0.0000 0.0000 52231.0908 -109204.9102 300.1728 -161436.0009 -108841.3782 299.8045 -231.1425 -206.2304 763005.1210 3.2810 3.4357 PRESSURE: 4396800 4.19209 -58.524 9.39529 -58.5236 69.9967 263.866 9.39525 263.866 -115.01 GPRESSURE: 4396800 162.301 0.761243 -114.263 24.9622 96.8075 266.383 35.3932 199.067 -192.884 PRESSAVG: 4396800 38.0165 19.9224 0.889691 19.9224 -42.8821 -14.444 0.88964 -14.444 6.23814 GPRESSAVG: 4396800 38.8379 21.0142 2.06766 20.3365 -43.2574 -15.172 1.3992 -13.6745 5.71243 TIMING: 4396800 CPU: 13972.8, 0.00316436/step Wall: 13972.8, 0.00316437/step, 0.530207 hours remaining, 239.195312 MB of memory in use. ENERGY: 4396800 4054.3932 20482.0571 14402.5230 250.7944 -203242.1655 2777.1317 0.0000 0.0000 52273.2955 -109001.9706 300.4153 -161275.2661 -108640.1484 299.7885 -13.6070 22.0750 762565.0252 0.4575 0.4310 PRESSURE: 4397000 -79.665 -96.8376 53.8625 -96.8375 -70.6161 181.787 53.8616 181.787 -449.907 GPRESSURE: 4397000 -104.172 -24.9937 37.1493 -27.4038 -8.29987 202.18 34.8039 141.889 -397.97 PRESSAVG: 4397000 6.13249 24.6746 -1.23609 24.6746 -67.647 -4.45826 -1.23613 -4.45824 -10.1851 GPRESSAVG: 4397000 6.16775 23.4808 -2.84068 24.9744 -67.2354 -5.0063 -3.10154 -4.70385 -10.3789 TIMING: 4397000 CPU: 13973.4, 0.00316256/step Wall: 13973.4, 0.00316256/step, 0.529728 hours remaining, 239.195312 MB of memory in use. ENERGY: 4397000 3918.9304 20642.2633 14468.8191 257.1022 -202913.5072 2501.3429 0.0000 0.0000 52252.5409 -108872.5084 300.2961 -161125.0493 -108504.4405 300.2917 -200.0627 -170.1476 764582.9856 -23.8999 -23.8155 PRESSURE: 4397200 81.4612 48.333 109.516 48.3319 -315.759 109.148 109.517 109.148 -99.2123 GPRESSURE: 4397200 70.3827 57.943 51.5902 21.3521 -308.753 91.8743 197.876 189.039 -27.1854 PRESSAVG: 4397200 30.2135 -13.9681 -9.28791 -13.9681 7.33789 -10.7236 -9.2879 -10.7236 3.77906 GPRESSAVG: 4397200 30.2684 -13.6867 -7.60588 -14.2829 7.02304 -10.4509 -8.53097 -10.1769 4.08846 TIMING: 4397200 CPU: 13974, 0.00318499/step Wall: 13974, 0.00318499/step, 0.533309 hours remaining, 239.195312 MB of memory in use. ENERGY: 4397200 3943.9379 20835.1917 14397.2700 269.4566 -202979.4551 2344.5426 0.0000 0.0000 52234.7502 -108954.3063 300.1938 -161189.0565 -108590.8971 300.5145 -111.1700 -88.5186 762494.7429 13.7768 13.7933 PRESSURE: 4397400 -448.167 -209.801 25.034 -209.8 -2.44695 -15.1966 25.0341 -15.1961 -242.075 GPRESSURE: 4397400 -313.239 -191.556 49.1407 -142.842 -78.1394 74.7974 -9.67733 32.6156 -213.506 PRESSAVG: 4397400 -37.6676 -23.8989 -11.101 -23.8989 27.1032 39.522 -11.101 39.5219 -6.25499 GPRESSAVG: 4397400 -38.1744 -22.3753 -12.2705 -23.5436 27.8648 38.0581 -10.1868 40.3719 -5.83169 TIMING: 4397400 CPU: 13974.7, 0.00317808/step Wall: 13974.7, 0.00317808/step, 0.531976 hours remaining, 239.195312 MB of memory in use. ENERGY: 4397400 4051.8067 20763.8685 14428.2440 253.8710 -202858.6393 2411.6476 0.0000 0.0000 52033.5652 -108915.6362 299.0376 -160949.2014 -108547.7058 300.4978 -230.8964 -201.6282 760264.3293 -5.6065 -5.3804 PRESSURE: 4397600 -246.66 -0.181102 -74.1346 -0.181012 -47.3236 -94.3002 -74.1355 -94.3003 -304.783 GPRESSURE: 4397600 -147.897 -62.1151 -132.973 2.23938 -33.1563 -254.242 -61.5122 -72.4462 -331.412 PRESSAVG: 4397600 -6.24136 -42.1379 -55.292 -42.1379 35.1286 27.1546 -55.292 27.1546 -12.1195 GPRESSAVG: 4397600 -5.62218 -43.4997 -55.5281 -43.0767 34.9125 26.9857 -54.3459 24.691 -12.1168 TIMING: 4397600 CPU: 13975.3, 0.00316858/step Wall: 13975.3, 0.00316858/step, 0.530209 hours remaining, 239.195312 MB of memory in use. ENERGY: 4397600 3977.4450 20500.6019 14422.8710 241.9363 -203430.4817 2862.0049 0.0000 0.0000 52508.0110 -108917.6117 301.7643 -161425.6227 -108547.3265 300.6792 -199.5890 -170.8217 761344.9814 5.5892 5.7245 PRESSURE: 4397800 449.193 33.4361 100.678 33.4351 -16.359 26.1931 100.679 26.1931 -229.631 GPRESSURE: 4397800 473.954 -47.9601 118.631 -64.769 10.2785 52.8868 47.4156 166.178 -198.284 PRESSAVG: 4397800 -14.3094 6.41126 -30.1873 6.41121 -25.3321 13.3988 -30.1873 13.3988 -5.1957 GPRESSAVG: 4397800 -12.5294 5.98825 -28.4782 5.79193 -26.3423 15.7837 -31.9051 15.1001 -6.54117 TIMING: 4397800 CPU: 13975.9, 0.00317314/step Wall: 13975.9, 0.00317314/step, 0.530796 hours remaining, 239.195312 MB of memory in use. ENERGY: 4397800 4032.3886 20745.8814 14394.8835 245.0363 -203407.2529 2829.5479 0.0000 0.0000 52315.0949 -108844.4203 300.6556 -161159.5152 -108485.2068 300.5387 67.7343 95.3159 760672.5415 -14.9457 -15.1376 PRESSURE: 4398000 69.2396 -37.7309 -44.8216 -37.7308 90.2731 109.936 -44.8223 109.936 -122.331 GPRESSURE: 4398000 14.3486 -10.5545 -11.6488 -25.7225 138.531 30.8584 -48.9201 62.9007 -30.1393 PRESSAVG: 4398000 -41.8648 -46.021 10.5261 -46.021 37.5882 15.909 10.5261 15.909 -23.316 GPRESSAVG: 4398000 -42.509 -44.9303 9.43691 -43.4052 38.5588 12.5983 10.7651 16.7579 -23.707 TIMING: 4398000 CPU: 13976.6, 0.00318658/step Wall: 13976.6, 0.00318658/step, 0.532866 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4398000 3958.2250 20627.1645 14435.2012 253.7022 -203254.4809 2832.5494 0.0000 0.0000 52627.1561 -108520.4825 302.4490 -161147.6386 -108143.4874 300.5937 12.3940 40.9133 760787.4142 -9.1976 -9.2191 PRESSURE: 4398200 -246.875 -61.9052 -153.087 -61.9049 -62.2174 329.346 -153.087 329.346 79.1052 GPRESSURE: 4398200 -162.993 -71.8833 -89.8934 -54.5474 -101.637 367.456 -34.4447 206.4 125.81 PRESSAVG: 4398200 -0.554362 -78.0122 27.6337 -78.0121 18.8757 7.08457 27.6337 7.08461 -4.2102 GPRESSAVG: 4398200 -0.671842 -79.2928 27.5434 -78.395 18.1429 8.19702 29.1369 7.42436 -2.94163 TIMING: 4398200 CPU: 13977.2, 0.00319333/step Wall: 13977.2, 0.00319333/step, 0.533818 hours remaining, 239.195312 MB of memory in use. ENERGY: 4398200 4042.6147 20752.1158 14470.6257 238.1379 -202992.9669 2622.1452 0.0000 0.0000 52453.9409 -108413.3867 301.4535 -160867.3276 -108042.8933 301.6060 -76.6625 -46.2733 761951.2727 4.7037 4.8431 PRESSURE: 4398400 -40.4429 -33.2704 57.9783 -33.2702 254.579 -238.235 57.9783 -238.236 -131.69 GPRESSURE: 4398400 60.6497 15.3889 80.0446 -75.0142 184.352 -274.433 29.724 -45.1112 -75.7024 PRESSAVG: 4398400 49.0412 -50.8543 -41.3564 -50.8543 -22.8049 -34.285 -41.3564 -34.2849 0.927172 GPRESSAVG: 4398400 48.2006 -49.4818 -40.3089 -52.1274 -22.0208 -33.0156 -43.4252 -36.2823 0.627853 TIMING: 4398400 CPU: 13977.8, 0.00316713/step Wall: 13977.8, 0.00316713/step, 0.529263 hours remaining, 239.195312 MB of memory in use. ENERGY: 4398400 4074.8986 20918.3182 14436.2176 233.9109 -203204.9072 2902.8729 0.0000 0.0000 52376.8306 -108261.8584 301.0104 -160638.6890 -107891.7143 301.9789 27.4820 56.4331 759553.7818 9.0545 8.9359 PRESSURE: 4398600 -256.318 -33.7421 1.30605 -33.7419 283.567 -108.849 1.30685 -108.849 -35.1764 GPRESSURE: 4398600 -237.456 -13.412 -14.395 53.7391 257.56 -119.51 129.854 -255.6 57.0322 PRESSAVG: 4398600 -15.6897 -18.4833 20.2223 -18.4833 -26.2942 -4.15589 20.2224 -4.15589 -2.76971 GPRESSAVG: 4398600 -15.4751 -18.1508 19.9876 -17.9867 -26.614 -5.91419 22.3713 -4.21203 -2.5585 TIMING: 4398600 CPU: 13978.5, 0.00316485/step Wall: 13978.5, 0.00316484/step, 0.528705 hours remaining, 239.195312 MB of memory in use. ENERGY: 4398600 4026.9703 20712.4021 14462.8602 247.4658 -202853.5577 2495.0687 0.0000 0.0000 52434.2746 -108474.5160 301.3405 -160908.7906 -108111.6978 301.7059 -2.6424 25.7120 762280.2311 -14.9179 -14.8825 PRESSURE: 4398800 -207.834 47.3402 111.879 47.3409 -127.868 133.76 111.878 133.76 -62.9535 GPRESSURE: 4398800 -169.026 69.2931 168.412 -43.0996 -57.2931 86.3486 63.8366 246.091 -75.0233 PRESSAVG: 4398800 27.6725 -33.0475 9.37209 -33.0475 -67.9406 3.534 9.37212 3.53403 24.9373 GPRESSAVG: 4398800 27.62 -33.9068 9.23111 -32.6664 -67.068 4.40597 8.87819 2.95949 24.2854 TIMING: 4398800 CPU: 13979.1, 0.00315133/step Wall: 13979.1, 0.00315133/step, 0.526272 hours remaining, 239.195312 MB of memory in use. ENERGY: 4398800 4022.0464 20744.3587 14444.3718 241.2019 -203054.8174 2577.3752 0.0000 0.0000 52276.3302 -108749.1334 300.4328 -161025.4635 -108381.8637 301.1371 -132.8851 -100.4475 761768.5966 -5.1103 -5.0542 PRESSURE: 4399000 179.438 37.4384 -15.4528 37.438 -351.835 28.732 -15.4523 28.7318 13.427 GPRESSURE: 4399000 132.316 47.8372 -67.0736 52.2544 -186.192 -9.6872 36.9281 166.173 0.389013 PRESSAVG: 4399000 -5.54315 -40.9682 51.4159 -40.9681 8.60195 13.8897 51.4159 13.8897 -13.9263 GPRESSAVG: 4399000 -5.70302 -42.9567 51.7635 -40.2882 9.55977 14.0207 51.276 15.5327 -14.4079 TIMING: 4399000 CPU: 13979.7, 0.0031714/step Wall: 13979.7, 0.0031714/step, 0.529447 hours remaining, 239.195312 MB of memory in use. ENERGY: 4399000 4028.3102 20709.4996 14458.7440 232.6513 -202930.7428 2466.6877 0.0000 0.0000 52362.4688 -108672.3811 300.9278 -161034.8499 -108305.8348 300.3649 -52.9900 -17.8290 762127.9134 -3.6225 -3.5171 PRESSURE: 4399200 -322.714 90.747 -19.9721 90.7479 6.24049 -309.589 -19.9719 -309.59 0.376528 GPRESSURE: 4399200 -295.512 64.6389 -26.5339 51.4834 5.77309 -138.655 -37.2934 -280.965 51.4347 PRESSAVG: 4399200 -17.6247 -18.6372 -18.0015 -18.6372 14.0148 25.0253 -18.0015 25.0253 8.29389 GPRESSAVG: 4399200 -16.3415 -16.5839 -18.9043 -19.6692 12.3337 25.6511 -18.555 24.2339 7.66648 TIMING: 4399200 CPU: 13980.4, 0.00316829/step Wall: 13980.4, 0.00316829/step, 0.528752 hours remaining, 239.195312 MB of memory in use. ENERGY: 4399200 4091.8865 20496.2106 14473.0567 239.5847 -202915.6912 2503.4130 0.0000 0.0000 52389.2238 -108722.3159 301.0816 -161111.5397 -108355.9463 300.9631 -105.3655 -79.4346 761857.3789 1.5613 1.2196 PRESSURE: 4399400 -64.4005 20.2382 -52.7857 20.2383 273.046 -82.7258 -52.7855 -82.7263 179.326 GPRESSURE: 4399400 -23.6727 17.3562 -93.4316 -57.4665 264.168 60.3033 -47.9016 -77.2688 228.532 PRESSAVG: 4399400 -10.8682 5.64404 10.6028 5.64398 -6.86531 -53.4395 10.6028 -53.4396 6.18856 GPRESSAVG: 4399400 -13.5103 3.81353 12.2327 7.0645 -5.50439 -53.1598 10.909 -52.8943 7.35237 TIMING: 4399400 CPU: 13981, 0.00317321/step Wall: 13981, 0.00317321/step, 0.529397 hours remaining, 239.195312 MB of memory in use. ENERGY: 4399400 3922.1149 20717.4017 14423.3165 226.8463 -203227.9624 2633.4673 0.0000 0.0000 52300.6804 -109004.1354 300.5727 -161304.8157 -108646.4401 300.0379 129.3239 156.3423 761129.7514 -3.8483 -3.8874 PRESSURE: 4399600 -317.576 -65.0843 -223.973 -65.0849 -178.938 -90.3113 -223.975 -90.3097 -425.176 GPRESSURE: 4399600 -227.388 -78.2375 -249.215 -58.0097 -135.602 -178.64 -136.121 -131.736 -497.745 PRESSAVG: 4399600 53.5567 -9.91372 35.1852 -9.91371 -29.4959 -86.3369 35.1852 -86.337 8.82512 GPRESSAVG: 4399600 55.5354 -7.34502 34.88 -10.6311 -30.5399 -87.0447 32.7097 -85.1008 7.96785 TIMING: 4399600 CPU: 13981.7, 0.00332568/step Wall: 13981.7, 0.00332568/step, 0.55465 hours remaining, 239.195312 MB of memory in use. ENERGY: 4399600 3993.9577 20530.8617 14369.0859 248.3169 -203199.5556 2677.9828 0.0000 0.0000 52299.9392 -109079.4114 300.5685 -161379.3506 -108721.6154 299.8832 -307.2298 -286.9117 763905.2554 10.9620 10.9878 PRESSURE: 4399800 -175.547 190.402 -226.563 190.403 -137.829 105.018 -226.563 105.017 348.367 GPRESSURE: 4399800 -104.473 192.111 -297.744 248.81 -141.063 95.4874 -51.2687 70.0613 366.497 PRESSAVG: 4399800 18.6325 -33.3966 -1.06081 -33.3966 19.0534 35.0648 -1.06084 35.0647 -46.3722 GPRESSAVG: 4399800 17.6043 -36.027 -1.01969 -32.0044 19.1329 36.0092 3.27573 33.3063 -45.877 TIMING: 4399800 CPU: 13982.3, 0.00319255/step Wall: 13982.3, 0.00319255/step, 0.532269 hours remaining, 239.195312 MB of memory in use. ENERGY: 4399800 4013.8739 20491.9680 14446.9900 245.3671 -203075.1059 2628.4835 0.0000 0.0000 52140.7104 -109107.7129 299.6534 -161248.4234 -108740.7918 299.5245 11.6636 40.3203 762054.0940 -2.8954 -3.0466 PRESSURE: 4400000 40.3995 -71.5825 162.699 -71.5821 -27.8578 -149.704 162.699 -149.704 -340.839 GPRESSURE: 4400000 95.1361 -29.4721 172.93 4.43096 5.95294 -115.072 79.4603 -217.94 -357.342 PRESSAVG: 4400000 42.0376 -50.7925 62.3355 -50.7925 -45.5966 1.71479 62.3354 1.7148 19.6629 GPRESSAVG: 4400000 42.1809 -50.3294 62.4356 -50.1917 -46.5991 0.634248 61.6473 2.45282 19.8715 TIMING: 4400000 CPU: 13982.9, 0.00316296/step Wall: 13982.9, 0.00316296/step, 0.527159 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4400000 3982.2451 20596.0037 14378.0461 231.9121 -202971.7632 2397.6119 0.0000 0.0000 52259.8699 -109126.0745 300.3382 -161385.9444 -108764.1173 299.6408 -109.4325 -85.4175 760852.4829 5.3680 5.1511 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4400200 -174.462 23.8756 -74.8276 23.8753 -70.9508 122.561 -74.8281 122.561 -410.106 GPRESSURE: 4400200 -126.089 78.4481 -50.9508 -50.1046 -0.522677 33.379 29.865 191.499 -445.532 PRESSAVG: 4400200 15.4409 -42.3415 -26.6888 -42.3415 37.7431 3.64007 -26.6889 3.64006 -29.0793 GPRESSAVG: 4400200 14.6951 -39.0558 -26.9783 -44.0298 37.6661 3.13586 -28.0893 3.25073 -27.8663 TIMING: 4400200 CPU: 13983.6, 0.00354348/step Wall: 13983.6, 0.00354348/step, 0.590383 hours remaining, 239.320312 MB of memory in use. ENERGY: 4400200 4101.4358 20506.4925 14360.5078 241.0929 -203132.6547 2501.1179 0.0000 0.0000 52439.6619 -108982.3459 301.3715 -161422.0078 -108610.6599 299.8877 -218.5063 -190.7148 762371.2898 8.0349 8.1650 LDB: ============= START OF LOAD BALANCING ============== 13996 LDB: ============== END OF LOAD BALANCING =============== 13996.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13996.1 LDB: ============= START OF LOAD BALANCING ============== 13996.4 LDB: Largest compute 7026 load 0.035635 is 18.2% of average load 0.195955 LDB: Average compute 0.004380 is 2.2% of average load 0.195955 LDB: TIME 13996.4 LOAD: AVG 0.195955 MAX 0.218305 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 13996.4 LOAD: AVG 0.195955 MAX 0.218305 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: TIME 13996.4 LOAD: AVG 0.195955 MAX 0.218305 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: ============== END OF LOAD BALANCING =============== 13996.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13996.4 PRESSURE: 4400400 -99.8115 -83.6399 -40.9715 -83.6401 -479.719 -150.193 -40.9721 -150.194 -23.2242 GPRESSURE: 4400400 -136.504 -21.3823 -70.2165 8.90498 -386.701 -181.395 -15.9945 -154.633 13.4034 PRESSAVG: 4400400 -16.9251 29.7768 -4.75917 29.7768 -13.5967 2.1165 -4.75917 2.11645 17.6142 GPRESSAVG: 4400400 -16.693 28.2466 -4.65339 30.975 -12.5008 2.70745 -3.90221 1.91993 16.6593 TIMING: 4400400 CPU: 13984.3, 0.00326939/step Wall: 13984.3, 0.00326939/step, 0.544534 hours remaining, 238.152344 MB of memory in use. ENERGY: 4400400 3994.8418 20664.3051 14458.1645 259.6730 -203026.2415 2717.6417 0.0000 0.0000 51932.2004 -108999.4149 298.4551 -160931.6153 -108636.5853 299.9823 -200.9181 -169.9338 764037.6059 -4.3025 -4.1782 PRESSURE: 4400600 -316.421 31.1548 -158.314 31.1557 -749.377 -119.421 -158.314 -119.42 -103.838 GPRESSURE: 4400600 -292.287 -93.7664 -173.281 74.3302 -617.508 -178.524 -166.08 -105.605 -148.525 PRESSAVG: 4400600 28.7021 -12.5598 54.4535 -12.5599 -5.24091 -51.2816 54.4534 -51.2816 -5.91273 GPRESSAVG: 4400600 29.2436 -13.4219 54.0662 -15.3341 -5.25515 -51.6528 54.1936 -51.136 -6.23329 TIMING: 4400600 CPU: 13984.9, 0.00322875/step Wall: 13984.9, 0.00322875/step, 0.537587 hours remaining, 238.152344 MB of memory in use. ENERGY: 4400600 4059.7608 20669.0595 14446.7672 248.9828 -202705.5361 2198.1981 0.0000 0.0000 52138.7280 -108944.0398 299.6420 -161082.7678 -108580.5113 300.3713 -389.8787 -352.7733 764440.6363 5.8495 5.9184 PRESSURE: 4400800 -13.0332 -161.211 -124.547 -161.21 -68.8278 -93.1634 -124.547 -93.1633 -133.338 GPRESSURE: 4400800 8.41727 -184.121 -135.637 -178.925 4.46296 -189.638 -81.77 -141.666 -135.966 PRESSAVG: 4400800 10.0746 -56.7255 29.7157 -56.7255 -7.6722 -48.202 29.7157 -48.202 -8.31457 GPRESSAVG: 4400800 10.2631 -55.4792 31.9168 -54.4668 -8.87415 -46.1972 28.0464 -47.9943 -7.52991 TIMING: 4400800 CPU: 13985.6, 0.00317464/step Wall: 13985.6, 0.00317464/step, 0.528401 hours remaining, 238.152344 MB of memory in use. ENERGY: 4400800 3979.3220 20469.7906 14407.8823 258.1918 -203241.2167 2624.3227 0.0000 0.0000 52483.3090 -109018.3982 301.6223 -161501.7072 -108652.8831 300.0422 -71.7330 -41.0287 760070.1730 -1.9707 -2.0470 PRESSURE: 4401000 145.879 -51.9749 -49.816 -51.9744 6.27834 21.9592 -49.8167 21.959 -293.875 GPRESSURE: 4401000 195.287 -183.597 -87.3755 -33.0902 71.2538 43.7993 -56.4352 273.285 -325.664 PRESSAVG: 4401000 -37.5859 -60.5749 35.0171 -60.5749 47.6285 53.1007 35.0172 53.1007 25.4744 GPRESSAVG: 4401000 -38.1796 -61.3918 34.0485 -60.5284 48.1149 51.7494 36.1273 51.3714 25.0058 TIMING: 4401000 CPU: 13986.2, 0.00317662/step Wall: 13986.2, 0.00317662/step, 0.528554 hours remaining, 238.152344 MB of memory in use. ENERGY: 4401000 4008.5572 20547.7341 14458.7679 276.1131 -202938.5930 2448.3207 0.0000 0.0000 52094.5764 -109104.5236 299.3882 -161199.1000 -108746.3444 299.9279 -47.2390 -19.7076 759792.0744 11.8390 11.6470 PRESSURE: 4401200 -286.306 12.2289 31.3755 12.2292 -254.326 -31.1215 31.3754 -31.1213 132.274 GPRESSURE: 4401200 -121.297 103.885 43.4582 -7.17778 -296.105 70.1943 -84.177 -90.4016 106.137 PRESSAVG: 4401200 -11.5128 -11.7207 26.8219 -11.7207 19.6633 42.4693 26.8219 42.4693 15.8768 GPRESSAVG: 4401200 -11.1941 -12.3396 24.9775 -12.5381 19.0379 41.9269 25.8132 46.0195 15.7265 TIMING: 4401200 CPU: 13986.9, 0.00317329/step Wall: 13986.9, 0.00317329/step, 0.527823 hours remaining, 238.152344 MB of memory in use. ENERGY: 4401200 4005.5676 20429.0534 14505.1135 260.0958 -202987.6681 2674.9080 0.0000 0.0000 52027.2639 -109085.6659 299.0014 -161112.9298 -108718.7057 299.4965 -136.1193 -103.7552 761199.9005 8.0091 7.8567 PRESSURE: 4401400 -148.223 -184.656 -25.2749 -184.656 -84.6571 241.961 -25.2745 241.962 -21.3367 GPRESSURE: 4401400 -5.49807 -145.826 22.6466 -132.226 -50.1709 206.145 -32.2191 258.096 -115.578 PRESSAVG: 4401400 -1.19861 -17.5032 -51.1232 -17.5032 -22.8653 13.2639 -51.1232 13.2639 29.3241 GPRESSAVG: 4401400 -1.48991 -18.5021 -49.1868 -15.9799 -22.6591 13.6331 -50.1523 11.8844 29.6764 TIMING: 4401400 CPU: 13987.5, 0.00315924/step Wall: 13987.5, 0.00315924/step, 0.525311 hours remaining, 238.152344 MB of memory in use. ENERGY: 4401400 3996.3728 20522.7744 14449.1963 244.1951 -203302.5635 2570.0741 0.0000 0.0000 52483.0079 -109036.9429 301.6206 -161519.9508 -108681.4954 299.7976 -84.7389 -57.0822 761355.1674 1.7534 1.8425 PRESSURE: 4401600 -47.0675 24.796 -31.9543 24.7957 45.8122 -145.34 -31.9543 -145.341 -135.749 GPRESSURE: 4401600 15.1964 -62.1397 -94.0397 -77.404 30.2369 -211.808 32.1458 -152.449 -105.043 PRESSAVG: 4401600 12.4879 -53.9936 11.3317 -53.9937 -7.1605 2.14092 11.3317 2.14097 3.78963 GPRESSAVG: 4401600 13.5373 -51.7874 10.7211 -56.2032 -8.05079 0.985809 12.6977 0.97037 3.35185 TIMING: 4401600 CPU: 13988.1, 0.00319746/step Wall: 13988.1, 0.00319746/step, 0.531489 hours remaining, 238.152344 MB of memory in use. ENERGY: 4401600 3946.7675 20737.5473 14459.3610 245.6766 -203330.2934 2667.6424 0.0000 0.0000 52061.4911 -109211.8075 299.1981 -161273.2986 -108847.6836 300.1330 -45.6681 -19.8699 760337.7175 3.0390 2.9461 PRESSURE: 4401800 294.729 -167.14 209.997 -167.141 220.354 -193.781 209.997 -193.782 173.848 GPRESSURE: 4401800 338.793 -173.822 263.075 -147.453 280.553 -207.033 244.092 -49.779 165.718 PRESSAVG: 4401800 -30.9101 -81.5818 -1.67194 -81.5818 65.4167 -3.08905 -1.67194 -3.08905 -12.3861 GPRESSAVG: 4401800 -31.4204 -81.4554 -0.807124 -80.852 66.8188 -2.131 -4.21119 -3.06716 -12.7779 TIMING: 4401800 CPU: 13988.8, 0.00319097/step Wall: 13988.8, 0.00319097/step, 0.530233 hours remaining, 238.152344 MB of memory in use. ENERGY: 4401800 3935.5637 20631.6768 14492.3741 244.2762 -203395.6729 2629.8804 0.0000 0.0000 52196.5042 -109265.3975 299.9740 -161461.9017 -108899.0605 299.6126 229.6436 261.6882 760871.4992 7.3735 7.5402 PRESSURE: 4402000 65.2796 49.8793 -42.8465 49.8801 269.065 -60.0009 -42.846 -60.001 186.941 GPRESSURE: 4402000 -8.57604 36.6627 23.655 14.8668 397.136 72.6268 -53.8979 -184.226 211.126 PRESSAVG: 4402000 1.75712 -111.549 -34.968 -111.549 46.1509 -13.6336 -34.968 -13.6336 -11.8286 GPRESSAVG: 4402000 1.12943 -112.447 -36.0486 -111.542 45.1169 -13.0608 -34.2776 -14.447 -9.97189 TIMING: 4402000 CPU: 13989.4, 0.00319925/step Wall: 13989.4, 0.00319925/step, 0.531432 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4402000 4003.3376 20691.6673 14473.5927 233.5224 -203423.4217 2909.6231 0.0000 0.0000 51956.0142 -109155.6644 298.5919 -161111.6787 -108800.6410 299.4449 173.7618 199.8951 761545.8917 12.0265 12.0915 PRESSURE: 4402200 -12.008 85.7091 28.3348 85.7091 -56.8579 -1.24333 28.3346 -1.24314 -184.544 GPRESSURE: 4402200 2.57234 226.71 126.144 92.7765 14.7234 -33.0365 -63.2289 14.5199 -186.721 PRESSAVG: 4402200 -21.7004 3.92843 -21.9787 3.92846 27.0644 4.59242 -21.9787 4.59244 2.21593 GPRESSAVG: 4402200 -22.105 3.61332 -20.662 3.39533 28.6212 4.78701 -21.5199 6.2587 1.38048 TIMING: 4402200 CPU: 13990, 0.00317463/step Wall: 13990, 0.00317463/step, 0.527166 hours remaining, 238.152344 MB of memory in use. ENERGY: 4402200 4011.5491 20492.7567 14406.4683 250.7332 -202695.6464 2280.2142 0.0000 0.0000 52080.6068 -109173.3180 299.3080 -161253.9248 -108810.1101 299.6659 -84.4700 -56.4752 761758.1731 2.5267 2.6322 PRESSURE: 4402400 225.701 -8.39981 145.596 -8.40024 240.581 98.5097 145.596 98.5084 187.073 GPRESSURE: 4402400 286.796 -52.5064 -13.8622 -19.5551 281.937 75.415 176.847 93.8122 172.771 PRESSAVG: 4402400 -6.64932 -18.729 10.235 -18.729 30.4616 -13.3611 10.235 -13.3611 6.10427 GPRESSAVG: 4402400 -5.19952 -19.7909 7.01295 -15.9198 29.7543 -13.753 10.334 -13.7086 5.92451 TIMING: 4402400 CPU: 13990.7, 0.00319128/step Wall: 13990.7, 0.00319128/step, 0.529753 hours remaining, 238.152344 MB of memory in use. ENERGY: 4402400 3894.7658 20539.6890 14371.4834 241.3227 -202581.2893 2502.2367 0.0000 0.0000 52100.9785 -108930.8131 299.4250 -161031.7916 -108565.0493 299.7739 217.7849 247.1678 761081.9086 9.9722 10.1598 PRESSURE: 4402600 153.054 8.44267 -184.741 8.44204 -114.819 -142.423 -184.741 -142.424 -200.892 GPRESSURE: 4402600 291.421 85.5883 -236.709 -27.0308 -140.277 -159.53 -76.4761 7.76855 -215.368 PRESSAVG: 4402600 76.3323 1.84923 2.76954 1.84923 -47.6195 -36.4833 2.76954 -36.4834 6.14244 GPRESSAVG: 4402600 75.6076 3.2896 4.36315 0.731106 -47.6427 -37.8875 5.27085 -35.6967 6.45706 TIMING: 4402600 CPU: 13991.3, 0.00320657/step Wall: 13991.3, 0.00320658/step, 0.532113 hours remaining, 238.152344 MB of memory in use. ENERGY: 4402600 3968.5453 20629.8079 14416.9673 237.5066 -202856.1997 2298.2198 0.0000 0.0000 52160.8889 -109144.2639 299.7693 -161305.1527 -108784.1681 300.0596 -54.2192 -21.4080 761332.6577 11.6184 11.4740 PRESSURE: 4402800 96.6625 -82.393 147.636 -82.3932 -386.781 -31.8978 147.637 -31.8971 377.435 GPRESSURE: 4402800 75.2162 -65.2022 110.098 -63.2909 -342.534 26.8864 162.166 46.0494 433.932 PRESSAVG: 4402800 -7.44902 -14.6898 -8.69347 -14.6897 -1.96228 -11.6237 -8.69347 -11.6237 5.85199 GPRESSAVG: 4402800 -7.67725 -14.9407 -8.18525 -14.7827 -2.88599 -10.3456 -10.7779 -12.051 6.93181 TIMING: 4402800 CPU: 13992, 0.00320411/step Wall: 13992, 0.00320411/step, 0.531527 hours remaining, 238.152344 MB of memory in use. ENERGY: 4402800 4109.8159 20416.4444 14417.6616 249.4774 -202850.5642 2326.3107 0.0000 0.0000 52504.7708 -108826.0834 301.7456 -161330.8542 -108448.7790 299.9407 29.1055 55.5380 761190.8535 -1.1864 -1.2105 PRESSURE: 4403000 -138.355 -207.253 96.7196 -207.252 -98.7709 -6.75634 96.7195 -6.75675 261.303 GPRESSURE: 4403000 -107.04 -194.015 136.842 -113.028 1.06804 -47.087 11.1128 -23.4175 214.39 PRESSAVG: 4403000 38.7131 -59.9519 23.0848 -59.952 -20.2276 7.11923 23.0847 7.11921 -17.8816 GPRESSAVG: 4403000 39.0076 -60.4019 22.3092 -62.9922 -20.3757 5.9212 22.4011 7.23284 -18.4771 TIMING: 4403000 CPU: 13992.6, 0.00319621/step Wall: 13992.6, 0.00319621/step, 0.530038 hours remaining, 238.152344 MB of memory in use. ENERGY: 4403000 3996.1481 20601.8792 14438.6120 245.7736 -202639.3425 2299.3567 0.0000 0.0000 52282.4039 -108775.1690 300.4677 -161057.5729 -108416.8386 300.5201 8.0591 36.1393 761612.3746 0.2013 0.0516 PRESSURE: 4403200 157.792 -37.4384 -25.5594 -37.4389 274.781 229.731 -25.5591 229.73 229.818 GPRESSURE: 4403200 189.607 38.4495 -78.9358 17.0616 261.191 248.202 29.7034 320.377 295.464 PRESSAVG: 4403200 29.4493 -13.0451 -17.8962 -13.0451 -16.1486 37.6723 -17.8963 37.6722 15.0451 GPRESSAVG: 4403200 28.8726 -12.6264 -16.489 -12.1892 -16.5477 37.6893 -16.12 38.2003 15.7892 TIMING: 4403200 CPU: 13993.2, 0.00319471/step Wall: 13993.2, 0.00319471/step, 0.529613 hours remaining, 238.152344 MB of memory in use. ENERGY: 4403200 4011.5979 20587.3683 14328.3441 242.1085 -203067.9183 2839.8407 0.0000 0.0000 52167.7734 -108890.8854 299.8089 -161058.6589 -108533.8953 300.0139 220.7968 248.7541 762675.1103 9.4486 9.3713 PRESSURE: 4403400 238.257 -103.062 -166.408 -103.062 -29.2491 7.4871 -166.408 7.48656 226.009 GPRESSURE: 4403400 195.441 7.99261 -177.544 -52.0117 6.58592 4.25394 -190.799 -95.7342 300.187 PRESSAVG: 4403400 31.6401 -50.2746 33.5022 -50.2747 -35.6186 -17.441 33.5022 -17.441 -11.43 GPRESSAVG: 4403400 31.0725 -49.9496 30.3445 -48.5522 -34.9096 -16.1791 32.4565 -18.6138 -11.5436 TIMING: 4403400 CPU: 13993.9, 0.00319084/step Wall: 13993.9, 0.00319084/step, 0.528794 hours remaining, 238.152344 MB of memory in use. ENERGY: 4403400 4035.4320 20736.0146 14412.3550 243.4721 -203219.6004 2777.5845 0.0000 0.0000 52223.3341 -108791.4081 300.1282 -161014.7422 -108428.0802 300.2764 145.0058 167.4047 761065.9967 -5.1362 -5.1269 PRESSURE: 4403600 11.4349 -118.688 -2.72752 -118.687 -31.0298 7.85761 -2.7275 7.8575 -439.615 GPRESSURE: 4403600 15.4416 -96.3385 40.0172 -244.151 34.583 -58.6834 -113.951 27.0198 -421.243 PRESSAVG: 4403600 58.0617 -48.1898 44.1011 -48.1898 -69.9414 18.1745 44.1012 18.1745 -0.837478 GPRESSAVG: 4403600 57.7744 -46.7208 45.0426 -50.8726 -69.109 16.184 43.4005 19.1872 -1.56028 TIMING: 4403600 CPU: 13994.5, 0.00319766/step Wall: 13994.5, 0.00319766/step, 0.529746 hours remaining, 238.152344 MB of memory in use. ENERGY: 4403600 3966.7328 20675.1567 14390.7687 223.7429 -202906.5005 2562.6371 0.0000 0.0000 52081.4596 -109006.0026 299.3129 -161087.4621 -108633.4309 300.3469 -153.0701 -123.7396 763911.6522 -4.2391 -4.2983 PRESSURE: 4403800 -15.3112 143.635 -30.0616 143.634 -62.115 -141.152 -30.0612 -141.152 -181.862 GPRESSURE: 4403800 20.7308 130.661 -1.00147 166.953 -53.6446 -180.375 -74.8484 -59.9183 -160.795 PRESSAVG: 4403800 40.0094 -58.7362 -16.95 -58.7362 -30.1411 26.7743 -16.95 26.7743 8.52213 GPRESSAVG: 4403800 40.6721 -59.4229 -16.4124 -56.816 -30.4481 29.6567 -16.3974 26.3838 7.86248 TIMING: 4403800 CPU: 13995.2, 0.0032072/step Wall: 13995.2, 0.00320721/step, 0.531149 hours remaining, 238.152344 MB of memory in use. ENERGY: 4403800 4018.2324 20596.2617 14368.1931 258.0941 -202910.1678 2488.7234 0.0000 0.0000 52336.2757 -108844.3874 300.7773 -161180.6631 -108481.8592 300.1631 -86.4295 -64.5697 762556.5159 6.1301 6.0288 PRESSURE: 4404000 -301.339 -123.971 -115.459 -123.97 26.4699 25.3152 -115.46 25.3145 -202.897 GPRESSURE: 4404000 -212.924 -139.867 26.3732 -216.298 -27.7181 -10.3482 -66.0828 -53.1994 -172.376 PRESSAVG: 4404000 85.354 -37.669 -20.3643 -37.6691 -34.3927 23.2375 -20.3643 23.2375 -9.59306 GPRESSAVG: 4404000 85.8513 -39.4143 -20.9401 -38.2865 -36.2512 23.0611 -21.4858 23.4022 -8.11853 TIMING: 4404000 CPU: 13995.8, 0.00320488/step Wall: 13995.8, 0.00320487/step, 0.530585 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4404000 4054.2664 20551.4399 14370.4393 240.3208 -202694.0264 2326.5613 0.0000 0.0000 52147.1648 -109003.8340 299.6905 -161150.9988 -108651.3964 300.0077 -159.2555 -137.6725 763359.3961 13.7894 13.8272 PRESSURE: 4404200 189.302 147.79 -234.44 147.79 49.0205 -9.5153 -234.44 -9.51599 -73.8316 GPRESSURE: 4404200 129.15 76.6667 -191.994 66.0146 253.101 -63.5804 -166.386 60.1115 -126.505 PRESSAVG: 4404200 -52.6834 -5.44628 -21.6504 -5.44627 37.9687 22.8145 -21.6504 22.8145 -9.29086 GPRESSAVG: 4404200 -54.1761 -4.42734 -21.3154 -5.90118 41.1102 21.9344 -20.5341 22.3941 -11.069 TIMING: 4404200 CPU: 13996.4, 0.00318248/step Wall: 13996.4, 0.00318248/step, 0.526701 hours remaining, 238.152344 MB of memory in use. ENERGY: 4404200 3989.4924 20491.9345 14422.6739 254.5451 -203147.5853 2665.6483 0.0000 0.0000 52326.0672 -108997.2239 300.7186 -161323.2910 -108624.6863 300.5497 54.8303 85.2486 762409.7086 -8.0018 -8.0450 LDB: ============= START OF LOAD BALANCING ============== 14008.8 LDB: ============== END OF LOAD BALANCING =============== 14008.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14008.8 LDB: ============= START OF LOAD BALANCING ============== 14009.2 LDB: Largest compute 7057 load 0.035950 is 18.3% of average load 0.196009 LDB: Average compute 0.004377 is 2.2% of average load 0.196009 LDB: TIME 14009.2 LOAD: AVG 0.196009 MAX 0.226748 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 14009.2 LOAD: AVG 0.196009 MAX 0.226748 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: TIME 14009.2 LOAD: AVG 0.196009 MAX 0.226748 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14009.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14009.2 PRESSURE: 4404400 73.0794 256.999 155.861 256.998 224.983 -140.285 155.862 -140.283 -268.128 GPRESSURE: 4404400 180.06 151.717 168.441 376.355 199.812 -111.47 42.9446 -108.351 -260.908 PRESSAVG: 4404400 -9.60069 45.7154 2.00873 45.7154 28.2405 47.0898 2.00872 47.0897 7.42051 GPRESSAVG: 4404400 -9.19026 45.6475 3.09361 46.5913 26.9653 47.4733 0.451891 47.5142 8.94872 TIMING: 4404400 CPU: 13997.1, 0.00324524/step Wall: 13997.1, 0.00324524/step, 0.536907 hours remaining, 238.152344 MB of memory in use. ENERGY: 4404400 4013.8825 20537.8858 14339.7254 237.0981 -203159.0963 2728.7702 0.0000 0.0000 52324.3195 -108977.4149 300.7086 -161301.7343 -108614.7247 300.1470 9.9783 39.6545 761226.1440 8.6868 8.9079 PRESSURE: 4404600 39.1129 -128.625 -51.794 -128.625 -130.907 61.5002 -51.7937 61.5002 90.0094 GPRESSURE: 4404600 156.069 -93.4448 -73.3226 -99.3856 -128.664 111.482 -87.3955 126.561 60.3795 PRESSAVG: 4404600 -11.4184 19.3933 -6.82301 19.3933 -10.6755 -10.5089 -6.82299 -10.5089 -17.798 GPRESSAVG: 4404600 -10.5013 19.8991 -8.11925 17.9733 -10.4964 -11.571 -7.22214 -9.66989 -18.5241 TIMING: 4404600 CPU: 13997.7, 0.0031929/step Wall: 13997.7, 0.0031929/step, 0.52807 hours remaining, 238.152344 MB of memory in use. ENERGY: 4404600 3985.0512 20580.1967 14414.6869 258.6710 -202881.4583 2794.1864 0.0000 0.0000 52211.2772 -108637.3890 300.0589 -160848.6661 -108272.0720 300.5219 -0.5950 29.2615 763052.1698 -13.2973 -13.1740 PRESSURE: 4404800 -11.6937 93.0851 -127.688 93.0841 119.669 -31.8675 -127.688 -31.8671 513.054 GPRESSURE: 4404800 113.996 -60.7856 -128.712 78.8336 132.417 -34.3026 -126.177 -10.9217 469.163 PRESSAVG: 4404800 23.94 -24.2686 22.3171 -24.2685 -22.2103 50.4415 22.3172 50.4415 7.1798 GPRESSAVG: 4404800 24.6114 -25.6022 21.8952 -22.8107 -23.0226 50.306 25.0584 48.6214 7.65286 TIMING: 4404800 CPU: 13998.4, 0.00318909/step Wall: 13998.4, 0.00318909/step, 0.527262 hours remaining, 238.152344 MB of memory in use. ENERGY: 4404800 4001.9783 20729.4558 14384.0116 242.6914 -203067.2803 2718.9575 0.0000 0.0000 52444.1244 -108546.0613 301.3971 -160990.1857 -108189.1837 301.1377 207.0095 238.5254 761303.4417 2.9698 3.0805 PRESSURE: 4405000 -118.876 10.4395 -17.5787 10.4395 28.5362 -32.5968 -17.5785 -32.5966 -320.212 GPRESSURE: 4405000 -109.309 96.7144 30.1833 72.8142 50.2941 40.9924 -4.14522 15.4933 -271.412 PRESSAVG: 4405000 22.4506 13.16 -19.7376 13.1601 -5.38133 20.7842 -19.7376 20.7842 5.43136 GPRESSAVG: 4405000 22.7349 13.0596 -20.068 13.5296 -5.90129 20.6418 -20.2305 22.8981 5.59794 TIMING: 4405000 CPU: 13999, 0.00319056/step Wall: 13999, 0.00319056/step, 0.527329 hours remaining, 238.152344 MB of memory in use. ENERGY: 4405000 3992.6709 20593.7231 14374.2582 261.6752 -202633.9475 2317.0737 0.0000 0.0000 52510.8297 -108583.7168 301.7805 -161094.5464 -108207.0467 301.4263 -136.8506 -110.1425 762522.5085 7.5002 7.4772 PRESSURE: 4405200 -106.281 4.38045 244.406 4.38124 -276.177 -34.6622 244.407 -34.6622 23.5733 GPRESSURE: 4405200 25.2259 -13.3875 357.681 131.784 -235.587 24.1361 192.959 -8.14643 -67.7003 PRESSAVG: 4405200 15.1149 -51.8243 30.1129 -51.8243 -24.2425 -15.3742 30.1128 -15.3741 -22.5428 GPRESSAVG: 4405200 14.1322 -50.7689 30.5151 -52.3201 -22.5912 -13.2568 28.8863 -18.1105 -23.3999 TIMING: 4405200 CPU: 13999.6, 0.00318718/step Wall: 13999.6, 0.00318718/step, 0.526594 hours remaining, 238.152344 MB of memory in use. ENERGY: 4405200 3977.0821 20701.1021 14422.8151 258.4613 -202454.2709 2241.4752 0.0000 0.0000 52385.8478 -108467.4874 301.0622 -160853.3352 -108096.9775 301.1509 -119.6283 -92.6870 762059.8521 -10.5568 -10.6196 PRESSURE: 4405400 312.458 -47.2916 137.915 -47.2911 -288.684 87.4131 137.915 87.4134 -134.7 GPRESSURE: 4405400 215.34 -154.46 17.3926 -60.7705 -130.437 -20.732 66.1963 127.985 -114.003 PRESSAVG: 4405400 37.1811 -75.2749 30.0625 -75.2749 -76.8868 -7.33097 30.0625 -7.33093 7.17978 GPRESSAVG: 4405400 36.3741 -75.5274 29.194 -74.0966 -76.7059 -9.18262 30.9253 -7.81963 7.83951 TIMING: 4405400 CPU: 14000.3, 0.0031674/step Wall: 14000.3, 0.0031674/step, 0.52315 hours remaining, 238.152344 MB of memory in use. ENERGY: 4405400 4045.6824 20515.9417 14427.5420 256.8982 -202609.4845 2211.6470 0.0000 0.0000 52566.5427 -108585.2305 302.1006 -161151.7732 -108207.5791 301.4074 -36.9753 -9.7000 762503.8857 -10.8420 -10.8307 PRESSURE: 4405600 -182.339 -31.7606 -163.19 -31.7605 -305.119 -98.3828 -163.19 -98.3827 -43.8314 GPRESSURE: 4405600 -160.965 -136.996 -150.154 -92.6681 -219.967 -78.6587 -123.27 -62.2422 -75.7979 PRESSAVG: 4405600 -13.6461 -62.9855 37.8747 -62.9855 -27.0417 15.5152 37.8747 15.5152 -0.885956 GPRESSAVG: 4405600 -12.4035 -62.7968 38.5431 -65.0821 -28.3141 15.864 39.5468 16.5069 -0.517757 TIMING: 4405600 CPU: 14000.9, 0.00319514/step Wall: 14000.9, 0.00319514/step, 0.527553 hours remaining, 238.152344 MB of memory in use. ENERGY: 4405600 4016.3031 20830.0337 14396.3892 221.2422 -202798.4473 2503.7467 0.0000 0.0000 52217.8139 -108612.9185 300.0965 -160830.7324 -108255.5169 300.4526 -177.0965 -152.2435 763338.5483 -13.8579 -13.7451 PRESSURE: 4405800 -33.1646 5.03728 110.27 5.03784 -257.669 -103.864 110.27 -103.864 179.308 GPRESSURE: 4405800 -66.0023 -14.2329 39.1362 -8.65675 -127.536 -135.886 118.36 30.2054 153.038 PRESSAVG: 4405800 60.9815 -27.7205 15.4321 -27.7204 -75.5527 -22.5298 15.4322 -22.5297 -19.7256 GPRESSAVG: 4405800 61.7574 -29.0308 16.1305 -26.943 -74.079 -20.8484 13.0741 -23.4878 -21.6484 TIMING: 4405800 CPU: 14001.5, 0.00318964/step Wall: 14001.5, 0.00318964/step, 0.526467 hours remaining, 238.152344 MB of memory in use. ENERGY: 4405800 4038.7336 20596.0526 14365.6453 258.3432 -202731.3815 2532.5142 0.0000 0.0000 52538.6886 -108401.4040 301.9406 -160940.0927 -108030.9282 301.1726 -37.1755 -13.5001 763614.7896 -11.4323 -11.3233 PRESSURE: 4406000 89.8053 113.933 -218.671 113.933 11.0918 -46.4247 -218.671 -46.4247 -135.082 GPRESSURE: 4406000 162.608 110.122 -133.517 99.5492 -19.1125 6.78997 -212.125 34.2733 -101.702 PRESSAVG: 4406000 7.20402 -15.9583 29.6383 -15.9583 -1.69564 30.4282 29.6384 30.4282 -5.37542 GPRESSAVG: 4406000 6.53204 -14.627 29.4902 -16.0762 -2.95217 28.3603 29.0567 34.1863 -3.17843 TIMING: 4406000 CPU: 14002.2, 0.00314295/step Wall: 14002.2, 0.00314294/step, 0.518586 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4406000 3964.9807 20647.5454 14508.5598 268.6518 -203129.1762 2681.3048 0.0000 0.0000 52434.2646 -108623.8691 301.3404 -161058.1337 -108258.2476 301.6242 -11.3950 13.9312 763889.6263 0.0443 0.1338 PRESSURE: 4406200 -2.28525 77.4493 29.0368 77.45 -150.576 130.74 29.0367 130.739 -347.932 GPRESSURE: 4406200 9.38527 73.8451 33.4795 26.9651 -71.8437 206.886 134.362 24.9098 -356 PRESSAVG: 4406200 -17.3913 -50.989 -38.9617 -50.989 -8.41338 32.4824 -38.9617 32.4823 -2.02027 GPRESSAVG: 4406200 -16.8438 -51.4586 -39.0866 -50.946 -8.96499 33.9489 -35.7216 30.4666 -2.6392 TIMING: 4406200 CPU: 14002.8, 0.00318423/step Wall: 14002.8, 0.00318423/step, 0.525222 hours remaining, 238.410156 MB of memory in use. ENERGY: 4406200 4114.4825 20532.4100 14361.2690 252.6613 -202729.0317 2551.5274 0.0000 0.0000 52342.9242 -108573.7572 300.8155 -160916.6814 -108204.7355 300.9505 -166.9311 -139.4862 762899.3874 -9.2750 -9.4827 PRESSURE: 4406400 315.63 -202.293 101.342 -202.293 26.452 -13.9844 101.342 -13.9848 -166.967 GPRESSURE: 4406400 257.68 -92.815 193.349 -128.291 56.3945 -130.134 123.419 -1.82782 -56.0376 PRESSAVG: 4406400 54.028 -25.7553 7.2611 -25.7553 -40.0359 0.252199 7.26112 0.252149 3.25173 GPRESSAVG: 4406400 52.8194 -26.9282 7.74609 -24.7587 -39.1909 -1.83412 5.56334 -0.769171 3.48779 TIMING: 4406400 CPU: 14003.4, 0.0031796/step Wall: 14003.4, 0.0031796/step, 0.524281 hours remaining, 238.410156 MB of memory in use. ENERGY: 4406400 3936.3960 20504.6414 14439.1369 239.8730 -203114.7897 2883.7758 0.0000 0.0000 52247.1377 -108863.8288 300.2650 -161110.9665 -108485.3006 300.3465 58.3716 86.0122 761842.9560 5.7479 5.7055 PRESSURE: 4406600 161.212 -98.527 -29.2341 -98.5263 -205.436 -26.724 -29.2335 -26.7244 106.81 GPRESSURE: 4406600 170.355 -2.81359 65.9411 -118.331 -116.442 -89.9914 90.627 -74.0821 82.0187 PRESSAVG: 4406600 55.428 -64.7619 46.3752 -64.7619 -28.9284 -65.7883 46.3752 -65.7885 -7.99995 GPRESSAVG: 4406600 55.1584 -62.4491 46.7977 -65.2163 -28.7055 -64.8953 46.7248 -64.1046 -8.30747 TIMING: 4406600 CPU: 14004.1, 0.00315261/step Wall: 14004.1, 0.00315261/step, 0.519656 hours remaining, 238.410156 MB of memory in use. ENERGY: 4406600 3951.9174 20643.0106 14360.2923 244.8639 -203257.1596 2871.3246 0.0000 0.0000 52209.8195 -108975.9314 300.0506 -161185.7508 -108620.7906 299.7175 20.8620 45.3108 763345.2268 6.1666 6.0485 PRESSURE: 4406800 -24.3698 -141.615 14.679 -141.614 45.2674 14.8271 14.6799 14.827 -297.592 GPRESSURE: 4406800 -81.0501 -139.039 -76.6054 -149.386 76.8753 90.6155 -34.1585 -46.8576 -193.307 PRESSAVG: 4406800 12.8815 -19.5695 56.6621 -19.5695 3.85913 -21.3095 56.6621 -21.3096 -2.93944 GPRESSAVG: 4406800 13.8253 -19.9342 56.719 -19.4473 1.6583 -22.2791 56.4917 -21.9288 -2.22274 TIMING: 4406800 CPU: 14004.7, 0.0031676/step Wall: 14004.7, 0.0031676/step, 0.521951 hours remaining, 238.410156 MB of memory in use. ENERGY: 4406800 4025.9150 20505.4770 14454.8856 235.7928 -203096.4326 2629.1398 0.0000 0.0000 52177.2892 -109067.9333 299.8636 -161245.2225 -108716.5252 299.9933 -92.2314 -65.8273 761827.8232 4.6004 4.4203 PRESSURE: 4407000 145.269 79.5943 15.1756 79.5938 -144.691 -69.8185 15.1755 -69.8184 -266.99 GPRESSURE: 4407000 191.73 63.0004 -0.405217 -12.2526 -124.353 -67.6892 115.21 5.84994 -246.867 PRESSAVG: 4407000 -31.0724 -16.5386 -13.1683 -16.5385 -10.2135 12.0575 -13.1684 12.0574 1.22445 GPRESSAVG: 4407000 -31.433 -19.9308 -13.2845 -16.507 -9.08857 13.0248 -12.9712 10.9985 0.743014 TIMING: 4407000 CPU: 14005.3, 0.00317788/step Wall: 14005.3, 0.00317788/step, 0.523468 hours remaining, 238.410156 MB of memory in use. ENERGY: 4407000 3887.4792 20400.1726 14382.8328 232.1011 -202971.8033 2566.2838 0.0000 0.0000 52206.1714 -109296.7624 300.0296 -161502.9338 -108924.2037 299.4778 -88.8040 -59.8300 762711.3745 -13.3538 -13.2595 PRESSURE: 4407200 -24.1111 137.37 -1.34356 137.369 183.017 147.803 -1.3426 147.803 235.458 GPRESSURE: 4407200 -6.64771 230.212 70.561 183.597 225.065 200.183 -8.78885 86.037 276.556 PRESSAVG: 4407200 43.0457 -5.18701 28.1746 -5.18705 -49.7311 -27.7375 28.1746 -27.7376 -1.2191 GPRESSAVG: 4407200 44.3847 -2.01204 28.411 -4.647 -51.0757 -27.5723 28.1373 -27.3717 -1.48758 TIMING: 4407200 CPU: 14006, 0.00317394/step Wall: 14006, 0.00317394/step, 0.522643 hours remaining, 238.410156 MB of memory in use. ENERGY: 4407200 3949.5983 20397.2615 14457.5486 238.4304 -203108.3631 2788.7618 0.0000 0.0000 51814.2152 -109462.5473 297.7770 -161276.7625 -109098.3685 298.8508 131.4546 164.9911 762188.1978 -2.6349 -2.7262 PRESSURE: 4407400 -284.018 -28.6493 -162.965 -28.6503 -61.1681 -84.9013 -162.965 -84.901 -184.555 GPRESSURE: 4407400 -219.107 -27.2782 -266.894 45.6308 -57.0936 -83.8518 -82.5331 -169.026 -170.822 PRESSAVG: 4407400 -16.0928 37.4159 31.5285 37.4159 -32.3866 -35.1268 31.5285 -35.1267 -12.1243 GPRESSAVG: 4407400 -16.5572 36.7391 31.2668 37.8723 -31.5453 -35.8834 31.0237 -35.4142 -12.4135 TIMING: 4407400 CPU: 14006.6, 0.00318161/step Wall: 14006.6, 0.00318161/step, 0.523729 hours remaining, 238.410156 MB of memory in use. ENERGY: 4407400 3968.9991 20469.4950 14430.0372 244.6693 -203005.3766 2537.7942 0.0000 0.0000 52196.4854 -109157.8963 299.9739 -161354.3818 -108791.5473 299.2142 -176.5805 -149.0076 762186.2114 -20.2013 -20.1720 PRESSURE: 4407600 -110.152 76.2939 -18.1819 76.2939 -227.804 17.5723 -18.1807 17.5728 -286.129 GPRESSURE: 4407600 -26.441 17.4228 -96.8818 69.4567 -266.632 -73.0504 38.3988 59.6038 -257.442 PRESSAVG: 4407600 23.118 18.1659 0.482749 18.1659 -35.851 -44.8911 0.482736 -44.8911 6.58519 GPRESSAVG: 4407600 21.7688 18.0509 -1.21106 15.9082 -36.1088 -43.5039 -0.244159 -47.3809 8.23951 TIMING: 4407600 CPU: 14007.3, 0.00324868/step Wall: 14007.3, 0.00324868/step, 0.534588 hours remaining, 238.410156 MB of memory in use. ENERGY: 4407600 3904.3218 20412.0725 14406.8124 240.8245 -202595.8437 2188.5947 0.0000 0.0000 52321.2112 -109122.0066 300.6907 -161443.2179 -108768.4997 299.5342 -208.0284 -183.5052 763267.2253 -2.0493 -2.0335 PRESSURE: 4407800 -351.986 6.30834 75.095 6.30816 -171.239 -138.378 75.0942 -138.378 -457.87 GPRESSURE: 4407800 -252.505 -31.4891 127.62 15.2456 -169.642 -230.216 89.865 -203.599 -444.574 PRESSAVG: 4407800 28.5039 0.647326 -17.891 0.64731 -23.5357 -58.3824 -17.891 -58.3825 -14.478 GPRESSAVG: 4407800 30.0407 1.66328 -18.3875 1.60487 -23.763 -60.6339 -16.965 -56.3053 -15.6642 TIMING: 4407800 CPU: 14007.9, 0.00319798/step Wall: 14007.9, 0.00319798/step, 0.526068 hours remaining, 238.410156 MB of memory in use. ENERGY: 4407800 3966.6336 20490.1928 14403.2219 243.5232 -202833.5244 2441.0728 0.0000 0.0000 51927.0447 -109361.8354 298.4254 -161288.8801 -109008.4864 299.4321 -327.0317 -288.9068 763427.5615 -3.1699 -3.1288 PRESSURE: 4408000 -130.175 -4.5172 -193.487 -4.51687 -352.032 -226.351 -193.486 -226.351 -524.136 GPRESSURE: 4408000 -172.811 -34.0394 -164.171 -136.166 -241.717 -20.968 -107.235 -297.613 -515.902 PRESSAVG: 4408000 -24.1562 13.5393 -10.906 13.5393 -7.88943 -84.9034 -10.906 -84.9035 -8.8656 GPRESSAVG: 4408000 -23.8271 11.9806 -7.60891 13.06 -7.39087 -82.5625 -12.6431 -84.5748 -9.76372 TIMING: 4408000 CPU: 14008.5, 0.00318312/step Wall: 14008.5, 0.00318312/step, 0.523447 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4408000 4061.8786 20582.9346 14415.4241 226.3386 -202892.6480 2217.5076 0.0000 0.0000 52064.3037 -109324.2609 299.2143 -161388.5646 -108966.8825 299.2058 -335.4476 -310.1433 762570.8377 -13.6371 -13.6606 PRESSURE: 4408200 -94.8047 -7.88487 -193.24 -7.88439 -306.806 95.6452 -193.24 95.6457 -25.1886 GPRESSURE: 4408200 -157.859 32.9006 -125.554 84.3417 -248.454 239.119 -262.493 59.3702 51.9492 PRESSAVG: 4408200 2.68163 28.9184 -26.4613 28.9184 -36.9018 1.60722 -26.4613 1.60717 -2.74556 GPRESSAVG: 4408200 2.1159 29.1078 -28.6019 29.1313 -37.9194 1.36549 -24.8902 2.88126 -0.999006 TIMING: 4408200 CPU: 14009.2, 0.00320786/step Wall: 14009.2, 0.00320786/step, 0.527336 hours remaining, 238.410156 MB of memory in use. ENERGY: 4408200 3978.5580 20405.6320 14412.7088 236.4848 -202992.1337 2543.8908 0.0000 0.0000 51814.6723 -109600.1871 297.7796 -161414.8594 -109245.6470 299.2408 -142.2663 -118.1214 761526.2107 -12.3219 -12.2675 LDB: ============= START OF LOAD BALANCING ============== 14021.6 LDB: ============== END OF LOAD BALANCING =============== 14021.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14021.6 LDB: ============= START OF LOAD BALANCING ============== 14021.9 LDB: Largest compute 7026 load 0.035565 is 18.1% of average load 0.196005 LDB: Average compute 0.004369 is 2.2% of average load 0.196005 LDB: TIME 14021.9 LOAD: AVG 0.196005 MAX 0.221202 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 14021.9 LOAD: AVG 0.196005 MAX 0.221202 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 14021.9 LOAD: AVG 0.196005 MAX 0.218654 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 14021.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14021.9 PRESSURE: 4408400 -80.1953 -109.572 27.8784 -109.571 -250.54 159.792 27.878 159.791 -397.986 GPRESSURE: 4408400 -88.5968 35.9023 -52.1717 -46.8049 -198.931 109.513 -28.2269 99.646 -354.429 PRESSAVG: 4408400 6.59807 11.1825 -13.2737 11.1825 -16.1064 18.2589 -13.2737 18.259 -6.96046 GPRESSAVG: 4408400 7.43392 11.497 -13.3617 10.6957 -15.3245 15.6134 -13.9041 16.0464 -8.48102 TIMING: 4408400 CPU: 14009.8, 0.00327636/step Wall: 14009.8, 0.00327636/step, 0.538415 hours remaining, 239.894531 MB of memory in use. ENERGY: 4408400 3976.2310 20415.8741 14374.6708 237.0356 -202991.4827 2321.7414 0.0000 0.0000 52005.7145 -109660.2152 298.8776 -161665.9297 -109309.7246 298.7183 -242.9071 -213.9854 761337.6154 -5.4896 -5.4572 PRESSURE: 4408600 -46.0649 -9.45756 120.643 -9.45715 -53.4141 -92.0704 120.643 -92.0711 -45.4028 GPRESSURE: 4408600 7.52359 -69.2439 190.831 19.6626 -44.8061 -57.4151 214.36 -87.2137 -25.857 PRESSAVG: 4408600 -31.0608 -21.2937 -3.4722 -21.2937 -9.06666 -73.4874 -3.47215 -73.4875 -3.7204 GPRESSAVG: 4408600 -30.9136 -20.9787 -3.88438 -20.7261 -9.38304 -71.1754 -1.40399 -72.7507 -3.85974 TIMING: 4408600 CPU: 14010.5, 0.0031778/step Wall: 14010.5, 0.0031778/step, 0.522042 hours remaining, 240.097656 MB of memory in use. ENERGY: 4408600 3957.0782 20649.0363 14339.4440 251.0407 -203649.2034 2739.6608 0.0000 0.0000 52008.4046 -109704.5388 298.8930 -161712.9434 -109345.7469 299.2671 -48.2939 -21.0465 759225.1322 -14.6159 -14.7188 PRESSURE: 4408800 -313.419 -87.3632 39.0172 -87.3618 -338.791 -80.021 39.0173 -80.0213 197.763 GPRESSURE: 4408800 -257.979 -12.0644 -25.0018 -76.8375 -300.567 -55.9397 59.6925 -9.60997 198.413 PRESSAVG: 4408800 -0.279432 -25.2781 -32.1212 -25.2781 -30.3714 -16.8823 -32.1213 -16.8823 12.9266 GPRESSAVG: 4408800 -1.74761 -26.9019 -30.7711 -25.0949 -30.2752 -15.5252 -32.7183 -17.6972 13.7653 TIMING: 4408800 CPU: 14011.1, 0.00317194/step Wall: 14011.1, 0.00317194/step, 0.520903 hours remaining, 240.097656 MB of memory in use. ENERGY: 4408800 3935.6282 20624.6321 14322.0254 251.7357 -203223.7253 2304.2208 0.0000 0.0000 51983.2222 -109802.2609 298.7483 -161785.4831 -109436.1802 299.0443 -151.4825 -120.0444 759232.6337 -5.9081 -6.0859 PRESSURE: 4409000 -97.4724 50.1556 214.381 50.1559 -291.746 -105.57 214.381 -105.571 -476.151 GPRESSURE: 4409000 -47.9974 -0.392919 300.212 -129.592 -312.023 -86.075 128.345 -215.112 -423.471 PRESSAVG: 4409000 34.0488 -72.679 34.0082 -72.6789 5.16294 -11.7891 34.0083 -11.7891 2.20631 GPRESSAVG: 4409000 35.416 -70.4601 32.4827 -73.9599 5.00708 -14.4078 33.5466 -8.81963 1.272 TIMING: 4409000 CPU: 14011.7, 0.00318718/step Wall: 14011.7, 0.00318718/step, 0.523229 hours remaining, 240.097656 MB of memory in use. ENERGY: 4409000 3952.5971 20444.0059 14411.8570 257.3709 -202974.1431 2196.3944 0.0000 0.0000 51930.1073 -109781.8105 298.4430 -161711.9178 -109425.0073 298.4497 -288.4567 -261.1635 760802.5748 13.8060 13.8984 PRESSURE: 4409200 46.6441 -49.1247 155.946 -49.1254 -103.96 -84.3962 155.946 -84.3963 417.885 GPRESSURE: 4409200 26.3502 24.3534 72.9569 -26.8605 -14.755 25.2816 88.568 -152.537 429.006 PRESSAVG: 4409200 -25.259 -11.9192 16.6598 -11.9192 1.67647 14.6938 16.6597 14.6938 -20.4484 GPRESSAVG: 4409200 -26.2739 -12.3125 21.0649 -10.6082 2.5043 16.0702 14.9584 12.21 -20.3596 TIMING: 4409200 CPU: 14012.4, 0.00318626/step Wall: 14012.4, 0.00318626/step, 0.522901 hours remaining, 240.097656 MB of memory in use. ENERGY: 4409200 3936.8427 20566.1601 14387.7813 256.9172 -203066.2071 2427.0958 0.0000 0.0000 52061.7646 -109429.6454 299.1997 -161491.4100 -109066.8547 298.9202 120.1898 146.8672 762263.7959 -14.6770 -14.7097 PRESSURE: 4409400 -12.1061 -98.9073 -4.53662 -98.907 218.389 -62.8173 -4.53722 -62.8181 174.911 GPRESSURE: 4409400 93.4235 -108.685 -66.429 -150.141 184.471 -97.734 -50.9169 -138.368 203.567 PRESSAVG: 4409400 42.0095 15.1114 91.1718 15.1114 12.4348 -15.187 91.1718 -15.1871 5.53502 GPRESSAVG: 4409400 41.8874 14.0364 88.3038 14.7914 12.0638 -15.2174 92.7893 -14.0106 6.3188 TIMING: 4409400 CPU: 14013, 0.00318127/step Wall: 14013, 0.00318127/step, 0.521905 hours remaining, 240.097656 MB of memory in use. ENERGY: 4409400 3960.8877 20416.0959 14340.1902 246.2716 -203368.8917 2681.4500 0.0000 0.0000 52158.0613 -109565.9349 299.7531 -161723.9962 -109199.7497 298.7315 127.0647 160.4871 763131.4748 19.9931 20.0900 PRESSURE: 4409600 106.154 20.002 92.8782 20.0016 85.1049 -59.5818 92.8784 -59.5818 129.276 GPRESSURE: 4409600 235.132 44.3798 168.529 19.0779 41.2123 18.571 100.305 -131.83 103.583 PRESSAVG: 4409600 -1.87014 -1.5943 43.7265 -1.59437 -35.3081 14.9802 43.7265 14.9803 10.542 GPRESSAVG: 4409600 -1.54866 0.25596 43.0552 -3.11991 -35.7976 14.2996 43.7941 11.7395 10.0451 TIMING: 4409600 CPU: 14013.7, 0.00317294/step Wall: 14013.7, 0.00317294/step, 0.520362 hours remaining, 240.097656 MB of memory in use. ENERGY: 4409600 3959.6775 20603.9162 14330.4159 228.0779 -203068.8345 2529.4955 0.0000 0.0000 51940.1640 -109477.0873 298.5008 -161417.2514 -109114.9298 298.9867 106.8449 126.6422 762542.9108 -8.8787 -9.1004 PRESSURE: 4409800 -197.482 116.844 -184.836 116.844 -471.99 -339.245 -184.836 -339.245 -446.859 GPRESSURE: 4409800 -109.983 91.6756 -190.96 62.2181 -391.452 -386.861 -76.7003 -200.939 -527.123 PRESSAVG: 4409800 -0.416166 -23.0778 25.9474 -23.078 -29.9782 -14.5981 25.9475 -14.5982 11.3806 GPRESSAVG: 4409800 1.08652 -24.3761 26.379 -21.3673 -30.3988 -14.7808 25.0307 -12.2564 10.7693 TIMING: 4409800 CPU: 14014.3, 0.00316163/step Wall: 14014.3, 0.00316163/step, 0.518332 hours remaining, 240.097656 MB of memory in use. ENERGY: 4409800 3974.2564 20627.6209 14370.8315 274.0325 -202919.5678 2295.4917 0.0000 0.0000 51854.6579 -109522.6769 298.0094 -161377.3348 -109157.7465 299.3566 -372.1102 -342.8526 762514.6997 -6.3379 -6.1810 PRESSURE: 4410000 16.4781 148.186 229.327 148.185 -80.8487 88.068 229.326 88.0679 214.931 GPRESSURE: 4410000 50.4438 114.763 226.448 175.754 -53.6725 87.3346 212.861 42.4078 248.328 PRESSAVG: 4410000 74.9052 -2.87343 22.3278 -2.87342 -68.8169 12.7634 22.3278 12.7633 -24.1118 GPRESSAVG: 4410000 72.9425 -3.20029 22.8965 -2.84632 -67.5314 14.0461 23.5826 10.6496 -23.5461 TIMING: 4410000 CPU: 14014.9, 0.00317861/step Wall: 14014.9, 0.00317861/step, 0.520938 hours remaining, 240.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4410000 4005.2518 20596.4245 14374.9183 244.1886 -202998.3264 2424.9801 0.0000 0.0000 52011.1399 -109341.4232 298.9087 -161352.5631 -108983.6764 299.2233 50.1870 81.6999 760820.8115 -6.0078 -6.0450 PRESSURE: 4410200 51.6077 -266.519 182.417 -266.52 153.58 248.269 182.417 248.269 331.244 GPRESSURE: 4410200 111.617 -178.093 114.997 -178.434 218.484 290.241 218.963 231.87 297.49 PRESSAVG: 4410200 56.4511 -28.3164 9.62566 -28.3164 -75.8161 27.8005 9.62569 27.8006 13.0618 GPRESSAVG: 4410200 56.7171 -25.1864 8.72241 -29.5347 -75.8997 27.0799 7.75086 29.3072 13.655 TIMING: 4410200 CPU: 14015.6, 0.0031959/step Wall: 14015.6, 0.0031959/step, 0.523594 hours remaining, 240.097656 MB of memory in use. ENERGY: 4410200 4064.5277 20469.3370 14393.3457 241.1473 -203465.5926 2765.3569 0.0000 0.0000 51930.0465 -109601.8315 298.4427 -161531.8780 -109243.0552 299.1609 178.8106 209.1968 762326.3774 -2.1011 -1.8425 PRESSURE: 4410400 119.53 -86.0223 87.443 -86.0222 -333.01 167.832 87.443 167.832 23.7192 GPRESSURE: 4410400 37.3589 -137.158 183.42 56.9721 -300.527 227.59 6.89678 261.286 146.904 PRESSAVG: 4410400 -37.3942 22.229 -17.3448 22.229 -36.0436 29.3023 -17.3448 29.3022 -9.76146 GPRESSAVG: 4410400 -36.6028 17.4888 -17.9662 24.9493 -36.5872 30.7689 -14.6552 28.661 -10.4148 TIMING: 4410400 CPU: 14016.2, 0.00316985/step Wall: 14016.2, 0.00316985/step, 0.519151 hours remaining, 240.097656 MB of memory in use. ENERGY: 4410400 3960.9968 20583.9063 14332.0909 236.2509 -203042.1989 2487.4152 0.0000 0.0000 51987.9089 -109453.6299 298.7752 -161441.5388 -109097.6176 299.0602 -63.2535 -38.7549 762457.4056 -27.7331 -27.8683 PRESSURE: 4410600 -29.8174 -155.293 -7.85098 -155.293 -192.56 115.629 -7.85064 115.629 190.922 GPRESSURE: 4410600 72.8686 -128.621 -83.6071 -195.108 -197.441 -6.65545 24.8506 113.106 192.864 PRESSAVG: 4410600 16.6575 1.36941 8.4582 1.36944 -12.9192 -26.5974 8.45819 -26.5974 23.0232 GPRESSAVG: 4410600 17.4567 4.24805 10.251 -0.24978 -13.7507 -29.0477 6.91098 -25.4012 23.2898 TIMING: 4410600 CPU: 14016.8, 0.00316571/step Wall: 14016.8, 0.00316571/step, 0.518296 hours remaining, 240.097656 MB of memory in use. ENERGY: 4410600 4032.6024 20376.9527 14368.0409 253.1228 -203483.6291 2763.5493 0.0000 0.0000 51957.2309 -109732.1301 298.5989 -161689.3610 -109370.5591 298.3815 -10.4850 22.7641 761947.4608 8.9205 8.9986 PRESSURE: 4410800 262.609 158.938 -269.029 158.937 -170.623 167.47 -269.029 167.471 205.114 GPRESSURE: 4410800 304.318 178.76 -270.669 40.4949 -113.884 138.171 -182.947 172.775 215.533 PRESSAVG: 4410800 62.6657 60.2902 -18.8808 60.2902 1.72778 41.4614 -18.8808 41.4614 10.2038 GPRESSAVG: 4410800 63.1091 60.7772 -19.8639 56.9318 2.65208 42.3602 -18.0622 40.1597 9.12661 TIMING: 4410800 CPU: 14017.5, 0.00317149/step Wall: 14017.5, 0.00317149/step, 0.519067 hours remaining, 240.097656 MB of memory in use. ENERGY: 4410800 4070.4151 20347.5563 14389.9210 238.4436 -203537.8296 2721.4754 0.0000 0.0000 52140.9175 -109629.1007 299.6546 -161770.0182 -109265.0564 298.5687 99.0334 135.3224 760718.4294 24.8658 24.9626 PRESSURE: 4411000 66.0662 -145.165 163.603 -145.165 102.285 159.522 163.603 159.522 163.475 GPRESSURE: 4411000 77.0676 -157.721 197.88 -187.968 182.242 46.4618 48.694 60.312 151.213 PRESSAVG: 4411000 29.182 1.31548 -35.0058 1.31546 -52.9998 20.68 -35.0058 20.68 14.524 GPRESSAVG: 4411000 28.781 -0.72874 -35.0509 3.86427 -52.857 20.6044 -36.0914 20.7925 15.2189 TIMING: 4411000 CPU: 14018.1, 0.00317314/step Wall: 14018.1, 0.00317314/step, 0.519161 hours remaining, 240.097656 MB of memory in use. ENERGY: 4411000 3895.6838 20437.3347 14380.4735 245.2323 -202911.3547 2389.1963 0.0000 0.0000 51958.0573 -109605.3769 298.6037 -161563.4342 -109243.3775 298.6722 110.6088 136.8407 762504.7023 -3.0979 -2.9524 PRESSURE: 4411200 -138.531 176.826 -6.4876 176.827 406.545 173.956 -6.4864 173.956 -117.23 GPRESSURE: 4411200 -78.5125 76.392 36.8147 101.183 340.777 153.822 -13.9317 80.638 -43.3159 PRESSAVG: 4411200 -19.3146 16.5291 11.69 16.529 21.3644 6.66253 11.6901 6.66252 9.5989 GPRESSAVG: 4411200 -18.501 18.8062 12.9938 15.0906 20.9454 4.80997 12.1958 8.24952 9.45586 TIMING: 4411200 CPU: 14018.7, 0.00316007/step Wall: 14018.7, 0.00316007/step, 0.516848 hours remaining, 240.097656 MB of memory in use. ENERGY: 4411200 3952.6785 20441.1573 14373.3927 250.5440 -203316.8732 2621.5264 0.0000 0.0000 52101.8447 -109575.7296 299.4300 -161677.5743 -109225.5503 298.9584 50.2611 72.9830 763208.9946 3.8829 3.9668 PRESSURE: 4411400 130.627 -9.66493 259.334 -9.665 -227.201 -35.5226 259.333 -35.5222 -135.953 GPRESSURE: 4411400 188.192 54.7277 235.837 -55.8551 -198.445 60.4172 84.0468 -28.6714 -158.406 PRESSAVG: 4411400 26.5622 14.6175 4.03743 14.6175 24.2221 21.843 4.0374 21.843 18.8974 GPRESSAVG: 4411400 25.3051 13.764 2.17201 16.0703 25.0524 24.2147 4.83556 20.0795 19.2237 TIMING: 4411400 CPU: 14019.4, 0.00317237/step Wall: 14019.4, 0.00317236/step, 0.518682 hours remaining, 240.097656 MB of memory in use. ENERGY: 4411400 3968.6618 20669.7927 14384.5136 238.7971 -202959.3170 2348.8383 0.0000 0.0000 51782.8448 -109565.8686 297.5967 -161348.7134 -109217.3565 298.8431 -77.5090 -56.2198 762678.0435 23.2273 23.1937 PRESSURE: 4411600 -305.708 81.804 12.3596 81.8044 -48.3451 -268.967 12.3601 -268.967 -43.8116 GPRESSURE: 4411600 -206.378 -41.4357 55.3375 56.1398 -74.7799 -179.388 29.4264 -330.493 -26.7316 PRESSAVG: 4411600 38.7838 -32.9671 24.0932 -32.9671 -57.9473 13.5036 24.0931 13.5035 -11.198 GPRESSAVG: 4411600 39.6224 -35.7258 23.7214 -33.1052 -59.2087 12.8013 26.7218 12.7099 -10.461 TIMING: 4411600 CPU: 14020, 0.00317675/step Wall: 14020, 0.00317676/step, 0.519223 hours remaining, 240.097656 MB of memory in use. ENERGY: 4411600 3980.1071 20191.5684 14325.4832 240.4439 -202881.5174 2194.6561 0.0000 0.0000 52289.5336 -109659.7251 300.5087 -161949.2587 -109300.1998 299.0203 -132.6214 -102.6299 761582.6060 -10.1205 -10.0158 PRESSURE: 4411800 -113.394 -157.903 -244.369 -157.903 -70.2228 -60.4264 -244.368 -60.4259 52.5989 GPRESSURE: 4411800 -94.8985 -214.137 -256.386 -166.091 -46.7343 -96.1524 -205.746 -126.268 124.056 PRESSAVG: 4411800 -21.4844 26.5923 -18.4286 26.5924 6.78641 38.7045 -18.4287 38.7046 -7.08011 GPRESSAVG: 4411800 -22.1147 27.4975 -18.7391 28.1394 7.39736 36.9275 -21.2804 39.9578 -6.87515 TIMING: 4411800 CPU: 14020.6, 0.00316011/step Wall: 14020.6, 0.00316011/step, 0.516327 hours remaining, 240.097656 MB of memory in use. ENERGY: 4411800 3884.8782 20368.8062 14426.3888 253.4694 -203208.6381 2769.3886 0.0000 0.0000 51985.9496 -109519.7573 298.7640 -161505.7070 -109158.7618 299.0615 -43.6727 -5.8588 761949.3151 -7.2594 -7.1975 PRESSURE: 4412000 239.069 150.21 -263.288 150.211 -260.394 -311.758 -263.288 -311.758 389.36 GPRESSURE: 4412000 169.035 148.873 -210.556 75.0224 -114.945 -338.103 -177.039 -196.549 412.717 PRESSAVG: 4412000 53.6496 -40.0159 11.8781 -40.0158 -45.1439 15.4099 11.8781 15.4099 -2.30151 GPRESSAVG: 4412000 53.065 -40.4882 13.3044 -41.9805 -45.6315 18.2406 12.6774 15.1834 -1.73217 TIMING: 4412000 CPU: 14021.3, 0.00318621/step Wall: 14021.3, 0.00318621/step, 0.520415 hours remaining, 240.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4412000 3926.6152 20412.0907 14404.0883 256.4772 -203251.1441 2745.3213 0.0000 0.0000 51946.8575 -109559.6939 298.5393 -161506.5514 -109209.9045 298.9383 122.6781 155.6021 760819.8097 2.0681 1.9004 PRESSURE: 4412200 79.5718 14.4577 -113.32 14.4571 414.929 193.743 -113.32 193.744 563.074 GPRESSURE: 4412200 226.735 2.59447 -114.862 170.27 341.607 151.473 -113.498 165.867 578.362 PRESSAVG: 4412200 68.3489 -55.5603 20.0349 -55.5602 -12.963 93.4006 20.0349 93.4007 -45.1012 GPRESSAVG: 4412200 67.6065 -55.7753 19.5781 -51.8316 -12.7771 92.0109 21.1552 93.3377 -45.1347 TIMING: 4412200 CPU: 14021.9, 0.0031717/step Wall: 14021.9, 0.0031717/step, 0.517868 hours remaining, 240.097656 MB of memory in use. ENERGY: 4412200 3950.4634 20535.1824 14452.2439 260.8944 -203247.5056 2597.9354 0.0000 0.0000 52033.3994 -109417.3867 299.0367 -161450.7861 -109056.3074 299.6546 352.5252 382.2347 759139.7981 3.4282 3.2316 LDB: ============= START OF LOAD BALANCING ============== 14034.3 LDB: ============== END OF LOAD BALANCING =============== 14034.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14034.3 LDB: ============= START OF LOAD BALANCING ============== 14034.6 LDB: Largest compute 7057 load 0.035702 is 18.2% of average load 0.196023 LDB: Average compute 0.004392 is 2.2% of average load 0.196023 LDB: TIME 14034.6 LOAD: AVG 0.196023 MAX 0.220004 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.93 MB LDB: TIME 14034.6 LOAD: AVG 0.196023 MAX 0.220004 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: TIME 14034.6 LOAD: AVG 0.196023 MAX 0.218497 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: ============== END OF LOAD BALANCING =============== 14034.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14034.6 PRESSURE: 4412400 -144.719 -4.48384 -38.5288 -4.48241 -293.824 107.39 -38.529 107.39 -243.707 GPRESSURE: 4412400 -54.2644 57.7046 -3.30296 -48.7018 -270.768 67.1359 -71.6637 102.915 -271.589 PRESSAVG: 4412400 30.1287 -30.1918 28.3759 -30.1918 9.66359 25.7651 28.3759 25.7651 27.1931 GPRESSAVG: 4412400 32.1218 -27.5174 27.166 -32.6604 9.42461 26.9683 26.7579 26.778 25.6389 TIMING: 4412400 CPU: 14022.6, 0.00324735/step Wall: 14022.6, 0.00324735/step, 0.530039 hours remaining, 237.843750 MB of memory in use. ENERGY: 4412400 4000.2334 20330.1785 14465.7353 265.1640 -203394.0330 2573.3763 0.0000 0.0000 52330.3765 -109428.9690 300.7434 -161759.3454 -109067.6869 299.5090 -227.4169 -198.8741 761240.1437 22.3285 22.3951 PRESSURE: 4412600 -111.82 -47.8799 -0.187287 -47.8801 -83.4642 92.9513 -0.186744 92.9516 -417.91 GPRESSURE: 4412600 -90.558 -78.4403 -108.957 -142.291 -51.2057 49.3118 85.3695 -39.8204 -360.108 PRESSAVG: 4412600 45.489 -22.7682 14.1908 -22.7682 -29.3088 -17.7233 14.1908 -17.7233 11.3053 GPRESSAVG: 4412600 44.9147 -23.9473 16.8648 -22.0058 -30.1789 -19.4071 13.1041 -19.2255 12.5631 TIMING: 4412600 CPU: 14023.2, 0.00315069/step Wall: 14023.2, 0.00315069/step, 0.514088 hours remaining, 238.046875 MB of memory in use. ENERGY: 4412600 3984.6392 20289.0519 14420.1079 270.3839 -202615.3409 2322.7433 0.0000 0.0000 51956.9375 -109371.4771 298.5972 -161328.4146 -109011.5432 299.1839 -204.3981 -167.2906 761137.1743 9.1618 9.0996 PRESSURE: 4412800 53.5848 -25.6651 -63.9012 -25.6643 -395.532 136.365 -63.9012 136.365 -53.8504 GPRESSURE: 4412800 23.8621 -137.285 -36.8441 38.1466 -306.932 177.538 -128.455 136.999 -22.656 PRESSAVG: 4412800 29.5689 4.88432 29.1703 4.88432 -3.78111 -6.26801 29.1703 -6.26809 18.4554 GPRESSAVG: 4412800 28.8512 2.61643 28.79 4.86691 -1.26984 -4.71816 29.7309 -4.03164 16.9786 TIMING: 4412800 CPU: 14023.8, 0.0031643/step Wall: 14023.8, 0.0031643/step, 0.516133 hours remaining, 238.046875 MB of memory in use. ENERGY: 4412800 3961.0182 20580.8580 14501.0718 235.9628 -203140.0815 2345.7280 0.0000 0.0000 52013.3137 -109502.1291 298.9212 -161515.4429 -109144.5454 299.5731 -131.9324 -101.9087 760742.5618 14.7477 14.8533 PRESSURE: 4413000 -183.28 100.371 221.156 100.371 -255.997 -91.5707 221.156 -91.5701 -524.504 GPRESSURE: 4413000 -218.101 178.656 280.387 200.11 -184.14 12.481 246.217 -126.987 -489.855 PRESSAVG: 4413000 9.65224 49.7375 12.2236 49.7375 -23.8395 -1.73279 12.2236 -1.73273 -14.978 GPRESSAVG: 4413000 10.4034 52.7735 11.0184 49.5577 -25.9024 -1.33647 12.2859 -1.79191 -13.8905 TIMING: 4413000 CPU: 14024.4, 0.00315973/step Wall: 14024.4, 0.00315973/step, 0.515211 hours remaining, 238.046875 MB of memory in use. ENERGY: 4413000 3954.3940 20436.5774 14358.9793 261.3840 -202864.1447 2288.0579 0.0000 0.0000 51932.3466 -109632.4055 298.4559 -161564.7522 -109274.8067 298.4933 -321.2602 -297.3654 761445.2597 -9.7217 -9.7965 PRESSURE: 4413200 -107.401 51.0158 69.3235 51.0163 -345.632 -86.9293 69.3232 -86.9311 -36.5219 GPRESSURE: 4413200 -103.332 -7.0566 80.9496 91.3769 -273.131 -46.8492 -6.74985 -51.8073 -36.625 PRESSAVG: 4413200 16.0744 -26.7816 -0.159622 -26.7815 -71.5519 -33.9909 -0.159631 -33.9908 4.62666 GPRESSAVG: 4413200 16.2974 -28.5176 -1.2582 -25.6277 -71.1092 -33.4235 0.95643 -36.2548 3.75997 TIMING: 4413200 CPU: 14025.1, 0.00316777/step Wall: 14025.1, 0.00316777/step, 0.516346 hours remaining, 238.046875 MB of memory in use. ENERGY: 4413200 3953.0280 20602.2970 14360.5988 223.6352 -202909.9160 2316.0568 0.0000 0.0000 51583.5663 -109870.7340 296.4515 -161454.3002 -109511.3544 298.0395 -163.1848 -137.6958 760896.0814 -16.9503 -17.0173 PRESSURE: 4413400 229.276 93.8034 235.948 93.8031 163.363 75.7173 235.948 75.7178 235.765 GPRESSURE: 4413400 303.593 9.97861 161.943 65.3705 179.02 58.9087 195.507 106.76 218.953 PRESSAVG: 4413400 55.6209 -22.2654 -92.4032 -22.2653 -17.1439 16.5509 -92.4032 16.5508 16.617 GPRESSAVG: 4413400 54.7104 -21.8599 -91.7721 -24.3692 -16.784 14.3191 -92.9355 17.9192 17.2272 TIMING: 4413400 CPU: 14025.7, 0.00316309/step Wall: 14025.7, 0.00316309/step, 0.515408 hours remaining, 238.046875 MB of memory in use. ENERGY: 4413400 3939.1936 20496.4120 14424.5574 240.5005 -203651.1841 2759.7007 0.0000 0.0000 52348.2758 -109442.5440 300.8463 -161790.8198 -109079.4367 298.9687 209.4681 233.8556 758990.9287 18.3647 18.3845 PRESSURE: 4413600 222.833 -215.441 56.5414 -215.441 309.938 219.565 56.5418 219.566 -322.27 GPRESSURE: 4413600 227.753 -140.474 36.9333 -213.262 324.464 212.439 8.15114 24.1638 -235.724 PRESSAVG: 4413600 50.3156 -50.8308 19.5262 -50.8308 -29.3467 34.7532 19.5262 34.7533 -2.38504 GPRESSAVG: 4413600 50.4792 -50.1636 20.5753 -50.2981 -29.1402 34.4696 17.9889 33.4499 -2.50748 TIMING: 4413600 CPU: 14026.3, 0.00318837/step Wall: 14026.3, 0.00318837/step, 0.519351 hours remaining, 238.046875 MB of memory in use. ENERGY: 4413600 3926.6700 20401.5408 14331.1809 253.8283 -203225.5396 2800.8664 0.0000 0.0000 52248.5116 -109262.9417 300.2729 -161511.4533 -108909.2849 299.5586 70.1673 105.4976 760051.9356 6.1946 6.2772 PRESSURE: 4413800 -532.277 13.5668 -89.7641 13.5673 -135.244 -147.792 -89.7637 -147.792 -396.083 GPRESSURE: 4413800 -435.714 -48.5891 23.9865 -60.0852 -148.677 -191.438 -93.9522 -28.4344 -407.407 PRESSAVG: 4413800 24.888 -2.44648 49.1371 -2.44648 11.2949 -49.8664 49.1371 -49.8664 -23.5208 GPRESSAVG: 4413800 24.8294 -2.52042 49.3507 -3.83888 10.7804 -48.7748 50.874 -49.2134 -23.0397 TIMING: 4413800 CPU: 14027, 0.00316809/step Wall: 14027, 0.00316809/step, 0.515871 hours remaining, 238.046875 MB of memory in use. ENERGY: 4413800 3978.7441 20527.0804 14434.2933 240.5333 -202670.7829 2128.4055 0.0000 0.0000 52112.0999 -109249.6264 299.4890 -161361.7263 -108891.1759 299.5337 -354.5346 -330.5993 761849.5880 4.2207 4.1900 PRESSURE: 4414000 -27.5327 -80.5016 220.276 -80.5008 -83.5916 -50.0492 220.275 -50.05 -108.763 GPRESSURE: 4414000 -7.19881 -37.5278 209.036 -68.6466 24.5422 -49.3264 175.184 97.456 -133.401 PRESSAVG: 4414000 46.325 -10.9653 5.89586 -10.9652 -40.5414 -21.6154 5.8959 -21.6155 5.08484 GPRESSAVG: 4414000 44.9873 -10.7592 5.06289 -9.43275 -38.321 -21.4123 5.85676 -23.1365 4.52415 TIMING: 4414000 CPU: 14027.6, 0.00318775/step Wall: 14027.6, 0.00318775/step, 0.518895 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4414000 3953.2131 20458.1976 14393.8406 259.6239 -203228.3919 2470.3979 0.0000 0.0000 52503.4911 -109189.6277 301.7383 -161693.1188 -108822.8241 299.8571 -73.2958 -38.6857 760242.4272 3.6228 3.7301 PRESSURE: 4414200 180.412 -212.875 175.547 -212.875 405.067 -100.566 175.547 -100.566 127.465 GPRESSURE: 4414200 219.259 -239.585 141.253 -140.513 423.217 -184.162 60.4776 19.4222 140.918 PRESSAVG: 4414200 5.62776 30.1981 19.0209 30.1981 -50.0499 0.317318 19.0209 0.317339 10.1224 GPRESSAVG: 4414200 7.55253 29.8001 17.6478 30.3225 -51.5065 -1.47917 18.3315 3.12464 9.78924 TIMING: 4414200 CPU: 14028.3, 0.00318734/step Wall: 14028.3, 0.00318734/step, 0.518652 hours remaining, 238.046875 MB of memory in use. ENERGY: 4414200 3977.2734 20387.9236 14404.5029 239.6800 -202862.6725 2693.3359 0.0000 0.0000 52048.6892 -109111.2676 299.1245 -161159.9568 -108759.7851 299.7180 237.6479 261.1312 762142.7473 -11.4332 -11.3882 PRESSURE: 4414400 165.644 -1.69547 -39.5716 -1.69611 84.8652 60.0012 -39.5719 60.0008 -26.8079 GPRESSURE: 4414400 155.787 12.0467 -24.5944 -3.62219 161.379 81.2366 -93.1903 37.7184 -6.76443 PRESSAVG: 4414400 80.0719 -53.8191 -0.338316 -53.819 -45.9732 -7.12603 -0.338231 -7.126 -17.6861 GPRESSAVG: 4414400 79.6318 -52.8881 1.61493 -54.509 -46.7948 -5.86148 -2.82588 -10.477 -15.9662 TIMING: 4414400 CPU: 14028.9, 0.00316371/step Wall: 14028.9, 0.00316371/step, 0.51463 hours remaining, 238.046875 MB of memory in use. ENERGY: 4414400 3951.8305 20456.6655 14416.3406 267.9910 -203094.2255 2697.1393 0.0000 0.0000 52254.0615 -109050.1971 300.3048 -161304.2586 -108688.2572 299.3174 74.5670 103.4671 762439.9910 5.4709 5.6236 PRESSURE: 4414600 -147.863 -146.474 28.9311 -146.474 -277.441 40.0569 28.9306 40.0562 26.3594 GPRESSURE: 4414600 -115.119 -112.079 9.31447 -174.847 -251.602 65.2407 57.906 -6.61104 57.3381 PRESSAVG: 4414600 18.0763 -41.862 20.3879 -41.862 -35.3299 10.6609 20.388 10.6609 -20.136 GPRESSAVG: 4414600 18.4271 -42.4897 21.1813 -40.8877 -34.2256 10.4548 23.2715 11.8886 -21.2742 TIMING: 4414600 CPU: 14029.5, 0.00317493/step Wall: 14029.5, 0.00317493/step, 0.516278 hours remaining, 238.046875 MB of memory in use. ENERGY: 4414600 3959.7015 20320.6771 14406.7076 255.1238 -202494.0083 2404.9976 0.0000 0.0000 52054.6948 -109092.1060 299.1590 -161146.8008 -108724.7548 299.7455 -132.9816 -103.1279 764209.4036 -12.4632 -12.3575 PRESSURE: 4414800 -18.3181 -123.397 -98.3646 -123.396 -343.35 75.4953 -98.3648 75.4947 110.767 GPRESSURE: 4414800 103.922 55.6026 -154.942 -6.44219 -303.656 139.209 -59.7753 -15.8601 14.2658 PRESSAVG: 4414800 25.9602 -28.437 12.1278 -28.437 -32.9683 31.5404 12.1277 31.5404 2.80065 GPRESSAVG: 4414800 24.7872 -30.3374 11.6414 -27.6595 -32.4097 32.1511 12.0594 32.21 2.60979 TIMING: 4414800 CPU: 14030.2, 0.00317701/step Wall: 14030.2, 0.00317701/step, 0.516441 hours remaining, 238.046875 MB of memory in use. ENERGY: 4414800 3969.8321 20446.2070 14346.0943 251.3771 -203076.2274 2484.4542 0.0000 0.0000 52232.9139 -109345.3488 300.1833 -161578.2628 -108973.2097 299.1667 -83.6336 -61.8225 762889.2001 -1.4025 -1.6709 PRESSURE: 4415000 -65.2118 -52.8202 64.841 -52.8204 -275.013 42.1612 64.8407 42.1609 -168.99 GPRESSURE: 4415000 -8.30745 -5.62781 12.1095 -11.3119 -213.822 -7.56374 101.969 32.9403 -197.467 PRESSAVG: 4415000 -0.202391 17.9247 37.1052 17.9247 -3.74819 -35.348 37.1052 -35.348 -6.60977 GPRESSAVG: 4415000 0.60819 18.817 35.8081 17.3273 -4.70072 -35.7924 37.1176 -36.2606 -6.61115 TIMING: 4415000 CPU: 14030.8, 0.00317619/step Wall: 14030.8, 0.00317619/step, 0.516131 hours remaining, 238.046875 MB of memory in use. ENERGY: 4415000 3993.8593 20546.4152 14350.6289 251.5014 -202746.3561 2353.2158 0.0000 0.0000 51981.4226 -109269.3130 298.7379 -161250.7355 -108919.8486 299.2454 -169.7381 -139.8656 763401.4043 -3.5201 -3.5679 PRESSURE: 4415200 -159.355 80.468 -62.0156 80.4683 -147.803 -132.399 -62.0159 -132.4 -95.7364 GPRESSURE: 4415200 -114.561 193.276 -67.0311 134.717 -101.388 -101.558 3.45861 -219.968 -92.5925 PRESSAVG: 4415200 21.6711 52.9261 0.513824 52.926 21.6982 -99.534 0.513788 -99.534 9.49374 GPRESSAVG: 4415200 20.9049 54.1045 1.56441 53.6145 21.479 -98.1512 0.960562 -100.021 10.8301 TIMING: 4415200 CPU: 14031.4, 0.0031764/step Wall: 14031.4, 0.0031764/step, 0.515988 hours remaining, 238.046875 MB of memory in use. ENERGY: 4415200 3981.9049 20302.5559 14410.5376 248.8607 -203044.9872 2607.4057 0.0000 0.0000 52110.5662 -109383.1561 299.4801 -161493.7223 -109022.1553 298.7875 -134.2980 -102.8473 762558.9989 17.6210 17.7380 PRESSURE: 4415400 139.689 -140.601 268.281 -140.601 -73.3494 38.1959 268.281 38.1946 -34.3315 GPRESSURE: 4415400 154.705 -125.886 291.209 -94.1525 -25.7107 51.0986 297.365 2.14907 -26.9901 PRESSAVG: 4415400 63.0366 6.97992 1.8525 6.97993 -85.7446 -66.5476 1.85256 -66.5476 -5.01684 GPRESSAVG: 4415400 63.7066 4.39043 0.215698 7.1725 -85.5969 -67.3595 4.80216 -68.0674 -6.15832 TIMING: 4415400 CPU: 14032.1, 0.00320094/step Wall: 14032.1, 0.00320094/step, 0.519797 hours remaining, 238.046875 MB of memory in use. ENERGY: 4415400 3874.3889 20629.5548 14379.6063 256.1213 -203092.2700 2624.8309 0.0000 0.0000 51942.6460 -109385.1218 298.5151 -161327.7678 -109025.4202 298.8801 10.6694 34.0014 761473.5914 -9.2416 -9.3495 PRESSURE: 4415600 54.0976 92.3206 -46.6415 92.3219 -90.0762 -194.122 -46.6415 -194.122 464.233 GPRESSURE: 4415600 112.384 -36.1013 -122.672 81.2276 -58.6763 -175.558 -131.875 -56.4446 445.322 PRESSAVG: 4415600 85.6224 -34.8976 22.5163 -34.8977 -102.377 -40.3756 22.5163 -40.3756 21.8644 GPRESSAVG: 4415600 86.2314 -33.5464 23.2227 -38.2891 -102.31 -39.9429 19.4087 -38.5821 21.338 TIMING: 4415600 CPU: 14032.7, 0.0031976/step Wall: 14032.7, 0.0031976/step, 0.519077 hours remaining, 238.046875 MB of memory in use. ENERGY: 4415600 4079.3265 20399.1374 14382.3269 249.3310 -203024.3022 2648.1624 0.0000 0.0000 52118.0561 -109147.9618 299.5232 -161266.0179 -108778.1597 299.3006 142.7513 166.3435 761156.3839 1.7031 1.7531 PRESSURE: 4415800 203.966 25.8458 57.6827 25.8466 56.1069 17.1409 57.6825 17.1397 -319.03 GPRESSURE: 4415800 275.702 -60.5156 21.7441 138.571 40.876 57.4283 31.9246 20.0165 -286.245 PRESSAVG: 4415800 73.8362 -19.2659 3.87899 -19.2659 -62.0494 -22.7648 3.87896 -22.7647 -1.46872 GPRESSAVG: 4415800 74.3382 -20.3528 3.84107 -16.5565 -62.5539 -23.0325 3.38621 -24.7014 -1.80127 TIMING: 4415800 CPU: 14033.4, 0.00319113/step Wall: 14033.4, 0.00319113/step, 0.51785 hours remaining, 238.046875 MB of memory in use. ENERGY: 4415800 3961.3974 20636.1879 14420.6259 246.5926 -203252.8405 2833.1966 0.0000 0.0000 52061.6484 -109093.1917 299.1990 -161154.8401 -108731.2407 300.2155 -19.6523 10.1110 761012.5750 3.4393 3.3277 PRESSURE: 4416000 267.411 -43.5421 37.9534 -43.5423 164.335 14.8532 37.9535 14.8523 376.058 GPRESSURE: 4416000 299.154 -53.9933 23.0964 -121.455 191.055 48.5869 17.764 79.5626 400.047 PRESSAVG: 4416000 40.7347 1.81519 39.0983 1.81522 -51.1714 -33.1638 39.0983 -33.1639 -16.1063 GPRESSAVG: 4416000 39.8074 2.2517 39.1466 2.82773 -50.9856 -33.129 40.1494 -29.8782 -15.3823 TIMING: 4416000 CPU: 14034, 0.00319019/step Wall: 14034, 0.00319019/step, 0.517519 hours remaining, 238.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4416000 3925.5969 20554.1847 14365.5841 240.3782 -202621.9303 2576.9013 0.0000 0.0000 51784.4008 -109174.8843 297.6057 -160959.2851 -108807.1749 299.6734 269.2680 296.7523 760425.2205 -8.8477 -8.8535 PRESSURE: 4416200 -92.9712 -17.7171 -23.6772 -17.7169 -104.14 101.726 -23.6763 101.726 137.239 GPRESSURE: 4416200 -62.4271 0.517334 -16.2192 -10.9068 -47.4075 119.347 16.9907 6.30517 148.425 PRESSAVG: 4416200 73.6823 6.50241 69.3343 6.50248 -23.0598 7.1017 69.3343 7.1016 27.5564 GPRESSAVG: 4416200 74.4279 7.07359 71.0501 4.19472 -22.1948 4.35068 66.9825 6.61843 26.382 TIMING: 4416200 CPU: 14034.6, 0.00318482/step Wall: 14034.6, 0.00318482/step, 0.516472 hours remaining, 238.046875 MB of memory in use. ENERGY: 4416200 3977.8525 20454.2156 14378.9446 241.8293 -202767.2745 2423.9380 0.0000 0.0000 52064.6351 -109225.8592 299.2162 -161290.4943 -108871.0309 299.7989 -19.9574 12.8636 762100.1721 26.0597 26.2051 LDB: ============= START OF LOAD BALANCING ============== 14047 LDB: ============== END OF LOAD BALANCING =============== 14047 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14047 LDB: ============= START OF LOAD BALANCING ============== 14047.3 LDB: Largest compute 7026 load 0.036038 is 18.4% of average load 0.196067 LDB: Average compute 0.004390 is 2.2% of average load 0.196067 LDB: TIME 14047.4 LOAD: AVG 0.196067 MAX 0.217731 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 14047.4 LOAD: AVG 0.196067 MAX 0.217731 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 14047.4 LOAD: AVG 0.196067 MAX 0.217731 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 14047.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14047.4 PRESSURE: 4416400 28.2853 -256.266 -90.4375 -256.265 100.529 370.541 -90.4371 370.541 105.442 GPRESSURE: 4416400 79.8437 -152.851 -105.32 -194.344 86.9377 299.53 -69.3081 228.363 144.018 PRESSAVG: 4416400 -13.7566 -4.68324 -39.3356 -4.68327 -12.424 -11.5886 -39.3357 -11.5885 -9.74411 GPRESSAVG: 4416400 -15.1591 -6.21017 -40.478 -2.21458 -12.7313 -9.55797 -39.2904 -12.1253 -8.45955 TIMING: 4416400 CPU: 14035.3, 0.00325845/step Wall: 14035.3, 0.00325845/step, 0.528231 hours remaining, 238.613281 MB of memory in use. ENERGY: 4416400 3883.6628 20606.5345 14440.4070 242.8409 -203039.7944 2455.3198 0.0000 0.0000 52260.8941 -109150.1353 300.3441 -161411.0294 -108795.4304 299.7167 78.0853 103.5999 762822.8137 -11.9749 -12.1167 PRESSURE: 4416600 268.465 313.578 160.785 313.578 -277.748 -39.38 160.785 -39.3805 -279.269 GPRESSURE: 4416600 307.322 190.303 119.317 243.814 -198.459 -14.7398 213.443 -201.642 -314.828 PRESSAVG: 4416600 32.9743 16.3173 28.0432 16.3172 -12.9403 -28.8476 28.0432 -28.8477 5.74141 GPRESSAVG: 4416600 34.0902 14.9386 27.6374 14.0149 -13.2096 -29.3154 29.2301 -28.3336 4.36327 TIMING: 4416600 CPU: 14035.9, 0.00320512/step Wall: 14035.9, 0.00320512/step, 0.519407 hours remaining, 238.613281 MB of memory in use. ENERGY: 4416600 4002.0546 20456.0677 14439.3303 244.5729 -203064.5719 2357.4938 0.0000 0.0000 52240.8947 -109324.1580 300.2291 -161565.0526 -108952.3824 300.0008 -96.1844 -68.6551 762205.8104 8.5918 8.4146 PRESSURE: 4416800 -46.3746 -65.2296 -52.2404 -65.2288 283.262 232.855 -52.2412 232.855 -58.593 GPRESSURE: 4416800 89.8067 -140.577 -113.598 16.3523 232.949 300.425 8.74774 242.687 -53.1524 PRESSAVG: 4416800 29.2263 -12.9214 48.4479 -12.9214 8.41086 -30.3037 48.4478 -30.3037 0.555547 GPRESSAVG: 4416800 29.1874 -10.7933 48.0594 -11.1134 9.01041 -28.6923 49.4934 -31.0238 0.64341 TIMING: 4416800 CPU: 14036.6, 0.00317174/step Wall: 14036.6, 0.00317174/step, 0.513821 hours remaining, 238.613281 MB of memory in use. ENERGY: 4416800 3966.1240 20374.9739 14448.0407 239.0055 -203557.5457 2837.5935 0.0000 0.0000 52201.8206 -109489.9877 300.0046 -161691.8083 -109119.8361 299.5710 59.4314 89.8677 761693.6274 12.7309 12.9471 PRESSURE: 4417000 92.488 -161.041 -352.354 -161.041 66.2858 58.7363 -352.353 58.7365 117.181 GPRESSURE: 4417000 100.102 -163.201 -381.049 -36.302 48.9273 120.979 -276.122 105.45 207.186 PRESSAVG: 4417000 39.394 -10.2427 4.19226 -10.2427 -22.4171 13.032 4.19223 13.032 -1.77678 GPRESSAVG: 4417000 39.0709 -9.55288 5.52867 -10.6272 -22.8927 13.1802 2.32539 12.5607 -1.41693 TIMING: 4417000 CPU: 14037.2, 0.00316933/step Wall: 14037.2, 0.00316933/step, 0.513255 hours remaining, 238.613281 MB of memory in use. ENERGY: 4417000 4051.7513 20539.5406 14459.4784 248.7174 -203590.0438 2913.2567 0.0000 0.0000 52085.3656 -109291.9338 299.3353 -161377.2995 -108935.1728 299.4485 91.9851 118.7383 760980.8844 5.0667 4.9204 PRESSURE: 4417200 -106.341 108.614 194.888 108.614 -174.817 137.928 194.887 137.928 -20.7346 GPRESSURE: 4417200 -65.9337 24.4811 183.567 22.874 -183.166 156.826 68.7302 89.5297 30.6728 PRESSAVG: 4417200 50.0943 9.68078 8.25621 9.68067 -24.4419 38.5104 8.25622 38.5103 -0.239545 GPRESSAVG: 4417200 49.2849 9.86993 8.8344 9.42001 -24.5721 36.0175 8.38933 41.1986 0.736338 TIMING: 4417200 CPU: 14037.8, 0.00318223/step Wall: 14037.8, 0.00318223/step, 0.515168 hours remaining, 238.613281 MB of memory in use. ENERGY: 4417200 3980.2876 20606.1575 14481.9497 265.2446 -203229.9353 2621.4473 0.0000 0.0000 51928.1941 -109346.6545 298.4320 -161274.8486 -108991.5386 299.8052 -100.6308 -72.8091 761945.5442 8.4710 8.4830 PRESSURE: 4417400 -9.52228 -28.935 36.2813 -28.9356 -45.6132 -2.7756 36.2809 -2.77624 -127.645 GPRESSURE: 4417400 9.36564 -8.27393 21.9644 -131.726 -21.3106 41.9835 69.9476 57.6913 -84.5118 PRESSAVG: 4417400 67.167 29.7122 0.287686 29.7123 -77.2956 18.8181 0.287721 18.818 21.152 GPRESSAVG: 4417400 68.8627 28.9923 0.684869 28.6207 -78.3799 18.9215 1.79723 16.315 20.67 TIMING: 4417400 CPU: 14038.5, 0.00316367/step Wall: 14038.5, 0.00316367/step, 0.511987 hours remaining, 238.613281 MB of memory in use. ENERGY: 4417400 3929.3767 20477.0081 14403.3452 247.0548 -203579.9240 2715.4193 0.0000 0.0000 52318.6916 -109489.0284 300.6762 -161807.7200 -109130.5009 299.0454 -60.9267 -32.1523 761947.8470 3.6745 3.7176 PRESSURE: 4417600 -77.0981 1.20446 -169.183 1.20488 60.0889 48.4541 -169.182 48.4539 -87.8591 GPRESSURE: 4417600 -71.8007 -30.8735 -175.508 147.61 113.098 -39.6287 0.358351 27.9618 -48.6827 PRESSAVG: 4417600 30.3314 42.554 -27.7527 42.554 -66.5513 -4.20721 -27.7527 -4.2072 -2.63638 GPRESSAVG: 4417600 28.7893 44.5507 -28.8176 42.7501 -65.1702 -3.67646 -30.3827 -3.55106 -2.56628 TIMING: 4417600 CPU: 14039.1, 0.00317858/step Wall: 14039.1, 0.00317858/step, 0.514223 hours remaining, 238.613281 MB of memory in use. ENERGY: 4417600 4001.4577 20595.4642 14371.9017 244.0235 -203351.3613 2561.9460 0.0000 0.0000 52007.4025 -109569.1659 298.8873 -161576.5683 -109201.3889 299.2629 -34.9561 -2.4619 760743.8328 -12.9521 -12.9824 PRESSURE: 4417800 -205.792 -142.472 -127.123 -142.471 99.0739 75.0952 -127.123 75.095 16.5349 GPRESSURE: 4417800 -172.436 -31.368 -155.704 -121.034 135.511 181.153 -28.6651 48.8323 18.1736 PRESSAVG: 4417800 -0.808807 21.7378 40.4181 21.7377 0.555894 15.0986 40.4181 15.0986 6.97255 GPRESSAVG: 4417800 -0.399571 19.6673 39.1645 22.1306 -0.128403 15.7952 43.203 14.8102 6.54391 TIMING: 4417800 CPU: 14039.7, 0.00315955/step Wall: 14039.7, 0.00315955/step, 0.51097 hours remaining, 238.613281 MB of memory in use. ENERGY: 4417800 3995.8073 20478.0444 14406.2707 231.8227 -203266.8810 2464.1957 0.0000 0.0000 51885.0578 -109805.6824 298.1841 -161690.7402 -109430.9166 298.5582 -30.0609 -6.2504 760126.6551 2.2399 2.0053 PRESSURE: 4418000 -104.586 -33.9286 33.4247 -33.9289 -258.433 -125.293 33.4245 -125.294 -83.281 GPRESSURE: 4418000 -100.328 -47.7897 101.902 -99.6775 -234.019 -52.029 -71.3202 -258.545 -7.15473 PRESSAVG: 4418000 43.1352 19.5649 18.9705 19.5649 -24.9988 41.6452 18.9705 41.6452 -11.2787 GPRESSAVG: 4418000 42.919 18.4881 21.2155 22.1005 -24.5355 42.4448 18.0466 40.3224 -11.7659 TIMING: 4418000 CPU: 14040.4, 0.00317646/step Wall: 14040.4, 0.00317646/step, 0.513528 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4418000 3977.6035 20411.0037 14304.1884 246.6116 -203179.4661 2546.7923 0.0000 0.0000 51749.2441 -109944.0227 297.4036 -161693.2668 -109592.5114 298.1211 -148.7667 -113.8338 759765.1795 2.2859 2.2058 PRESSURE: 4418200 106.754 5.80817 -215.327 5.80865 -189.762 106.504 -215.327 106.504 6.9885 GPRESSURE: 4418200 195.182 -87.3464 -241.081 4.24876 -181.017 58.0103 -221.083 103.945 -16.4231 PRESSAVG: 4418200 -11.2469 -8.00806 34.7474 -8.00814 -6.17359 28.9014 34.7474 28.9015 -13.5597 GPRESSAVG: 4418200 -10.6433 -6.55962 34.4725 -9.5413 -6.38692 26.9419 33.0587 30.6161 -14.3054 TIMING: 4418200 CPU: 14041, 0.00317322/step Wall: 14041, 0.00317322/step, 0.512828 hours remaining, 238.613281 MB of memory in use. ENERGY: 4418200 4050.2464 20368.2024 14388.2352 243.2077 -203392.6279 2710.1912 0.0000 0.0000 52161.7186 -109470.8264 299.7741 -161632.5450 -109108.1934 298.4081 -25.3397 -0.7527 760463.2413 -10.3267 -10.4452 PRESSURE: 4418400 45.6155 62.8741 104.633 62.8732 -29.525 282.18 104.635 282.181 102.727 GPRESSURE: 4418400 -25.4404 34.0995 16.7859 88.5895 86.1226 178.386 133.511 225.118 161.728 PRESSAVG: 4418400 -32.4929 15.8072 -3.63104 15.8071 39.8385 45.7115 -3.63107 45.7116 -3.35431 GPRESSAVG: 4418400 -33.0887 15.6479 -3.68368 15.1278 39.4019 46.3745 -3.93411 44.4253 -2.68934 TIMING: 4418400 CPU: 14041.6, 0.00317148/step Wall: 14041.6, 0.00317148/step, 0.512371 hours remaining, 238.613281 MB of memory in use. ENERGY: 4418400 4013.6656 20521.1255 14402.1094 250.6748 -203156.1490 2561.1434 0.0000 0.0000 51973.1480 -109434.2823 298.6904 -161407.4303 -109074.6542 299.5273 39.6060 74.1369 759891.4309 1.3304 1.2079 PRESSURE: 4418600 -294.084 168.096 -113.503 168.096 27.6368 -12.3959 -113.503 -12.3958 -65.8477 GPRESSURE: 4418600 -232.191 116.011 -212.651 261.272 52.9746 30.3634 29.1022 90.9991 -48.0416 PRESSAVG: 4418600 -16.5792 33.357 62.6044 33.357 34.7009 -4.46755 62.6044 -4.46747 12.066 GPRESSAVG: 4418600 -16.7283 35.0999 60.254 33.8753 36.0877 -4.74614 63.6335 -1.48964 11.2195 TIMING: 4418600 CPU: 14042.3, 0.00315082/step Wall: 14042.3, 0.00315082/step, 0.508857 hours remaining, 238.613281 MB of memory in use. ENERGY: 4418600 3957.7243 20542.4494 14344.8595 238.3200 -203011.5116 2416.3967 0.0000 0.0000 52085.7577 -109426.0040 299.3376 -161511.7617 -109058.4676 299.5100 -110.7651 -75.7526 760430.5535 10.0626 10.1930 PRESSURE: 4418800 161.875 -47.9517 -46.0836 -47.952 -103.129 49.0149 -46.084 49.0149 130.007 GPRESSURE: 4418800 161.428 -58.2232 -114.712 -32.9503 -46.6113 32.1235 109.082 -8.62488 155.13 PRESSAVG: 4418800 -43.1658 4.31312 13.9724 4.31313 52.3056 28.3494 13.9724 28.3493 -18.4408 GPRESSAVG: 4418800 -43.0739 3.43759 16.0864 4.39705 51.0966 27.8479 16.2631 24.6118 -17.3546 TIMING: 4418800 CPU: 14042.9, 0.00316592/step Wall: 14042.9, 0.00316592/step, 0.51112 hours remaining, 238.613281 MB of memory in use. ENERGY: 4418800 4036.8848 20437.4981 14368.5299 228.4967 -203419.0385 2639.9369 0.0000 0.0000 52097.4943 -109610.1979 299.4050 -161707.6922 -109245.8948 299.3864 62.9178 89.9822 760223.0351 -3.1003 -3.1106 PRESSURE: 4419000 -76.8837 14.9754 313.958 14.9759 127.331 160.617 313.958 160.618 401.207 GPRESSURE: 4419000 17.3244 -20.1363 236.498 49.8199 119.055 195.63 266.991 -54.2723 373.425 PRESSAVG: 4419000 15.2673 8.13106 18.0423 8.13109 -36.7994 -7.54266 18.0423 -7.54263 16.9702 GPRESSAVG: 4419000 16.3764 5.42183 19.6795 7.31028 -37.5401 -7.8091 13.391 -4.38868 17.0417 TIMING: 4419000 CPU: 14043.5, 0.00318185/step Wall: 14043.5, 0.00318185/step, 0.513516 hours remaining, 238.613281 MB of memory in use. ENERGY: 4419000 4033.9651 20407.5912 14446.6871 245.9686 -203324.6155 2598.3177 0.0000 0.0000 51872.3642 -109719.7216 298.1112 -161592.0857 -109363.8778 298.8425 150.5515 169.9347 759594.3914 -1.5206 -1.3740 PRESSURE: 4419200 49.8729 187.858 -73.352 187.858 -219.475 -221.031 -73.3526 -221.03 -200.973 GPRESSURE: 4419200 189.184 58.6634 -16.2967 97.2254 -203.163 -91.4584 -118.933 -148.287 -268.843 PRESSAVG: 4419200 43.257 -1.60883 24.5159 -1.60884 -19.5402 -82.0628 24.5158 -82.0628 20.9246 GPRESSAVG: 4419200 42.6083 -2.61947 22.9956 -0.481171 -19.4622 -81.2587 25.2109 -82.1958 21.3687 TIMING: 4419200 CPU: 14044.2, 0.00316303/step Wall: 14044.2, 0.00316303/step, 0.510303 hours remaining, 238.613281 MB of memory in use. ENERGY: 4419200 4041.1950 20428.5180 14378.5985 228.1707 -203286.6323 2501.3935 0.0000 0.0000 51896.1481 -109812.6085 298.2479 -161708.7567 -109451.9290 298.6217 -123.5253 -94.2741 759090.2663 14.8805 14.8383 PRESSURE: 4419400 -68.2149 49.4627 -26.7361 49.4631 -43.8668 -37.967 -26.7366 -37.9672 -32.9643 GPRESSURE: 4419400 -18.4308 52.6009 -57.7782 70.8872 -54.0915 -9.54386 28.9752 -57.8212 -6.65978 PRESSAVG: 4419400 -0.274999 -53.3863 51.1387 -53.3863 -73.6924 -13.4554 51.1387 -13.4554 5.34954 GPRESSAVG: 4419400 -0.844868 -51.9503 51.018 -53.1967 -73.4216 -13.4491 53.4042 -14.5796 5.22592 TIMING: 4419400 CPU: 14044.8, 0.00315762/step Wall: 14044.8, 0.00315763/step, 0.509255 hours remaining, 238.613281 MB of memory in use. ENERGY: 4419400 3911.5883 20418.9292 14371.3203 228.9761 -203061.7490 2433.2351 0.0000 0.0000 51740.6908 -109957.0091 297.3545 -161697.6999 -109599.0050 298.2459 -48.3487 -26.3940 760670.9592 -22.8726 -23.0135 PRESSURE: 4419600 179.842 68.3513 -92.9346 68.3507 245.407 -187.51 -92.9344 -187.509 -309.457 GPRESSURE: 4419600 173.121 53.0819 85.4224 131.635 331.733 -180.826 12.3335 -117.87 -291.015 PRESSAVG: 4419600 -1.5183 25.907 1.37234 25.907 -0.0425068 -29.3786 1.37237 -29.3787 6.20105 GPRESSAVG: 4419600 -1.55928 28.2923 2.43616 25.2861 0.887322 -29.5747 2.17233 -30.8834 4.85137 TIMING: 4419600 CPU: 14045.4, 0.00315203/step Wall: 14045.4, 0.00315203/step, 0.508178 hours remaining, 238.613281 MB of memory in use. ENERGY: 4419600 3984.0817 20451.4271 14392.7812 249.5872 -203335.2469 2402.1957 0.0000 0.0000 51915.7523 -109939.4217 298.3605 -161855.1740 -109563.8793 297.6810 38.5973 71.2800 758493.1090 1.5467 1.3931 PRESSURE: 4419800 132.47 -119.455 -173.588 -119.455 -199.593 -62.2876 -173.589 -62.2896 -19.3704 GPRESSURE: 4419800 42.7961 -98.7413 -200.371 -119.194 -57.5828 -94.1255 -178.651 -63.5625 -25.2862 PRESSAVG: 4419800 20.2744 -34.4857 37.8518 -34.4857 -37.0284 6.49196 37.8518 6.49194 -2.22579 GPRESSAVG: 4419800 20.5009 -35.0326 37.1765 -35.1214 -36.8405 7.08198 37.6885 7.52558 -2.54928 TIMING: 4419800 CPU: 14046.1, 0.00315317/step Wall: 14046.1, 0.00315317/step, 0.508186 hours remaining, 238.613281 MB of memory in use. ENERGY: 4419800 3889.7055 20460.2228 14398.2368 248.0895 -203483.3755 2620.7008 0.0000 0.0000 51706.0650 -110160.3553 297.1555 -161866.4203 -109799.2140 297.8056 -28.8311 -13.3576 760413.7202 -6.3266 -6.2963 PRESSURE: 4420000 9.23388 -191.823 138.776 -191.823 13.4186 142.232 138.776 142.234 103.804 GPRESSURE: 4420000 -22.9576 -95.8155 113.915 -60.5249 113.025 114.672 -49.7789 -16.7256 118.741 PRESSAVG: 4420000 10.6489 -23.1155 64.432 -23.1154 -12.4126 21.9148 64.432 21.9148 17.812 GPRESSAVG: 4420000 9.95423 -23.8032 64.4596 -21.0691 -12.8576 22.3038 61.3773 21.4552 18.6317 TIMING: 4420000 CPU: 14046.7, 0.00314065/step Wall: 14046.7, 0.00314065/step, 0.505993 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4420000 3913.8582 20487.7154 14347.5606 244.2410 -203788.9381 2755.7250 0.0000 0.0000 51794.8014 -110245.0364 297.6654 -162039.8378 -109880.6720 297.1097 42.1523 69.6027 760008.5357 5.3495 5.2428 PRESSURE: 4420200 355.829 -44.97 -129.301 -44.97 133.569 187.332 -129.302 187.332 -51.0674 GPRESSURE: 4420200 389.569 -70.2035 -232.22 24.5345 221.517 284.095 -94.8266 95.4955 -87.9278 PRESSAVG: 4420200 77.3636 -33.2173 8.87991 -33.2172 -39.769 12.3411 8.87999 12.3412 12.9689 GPRESSAVG: 4420200 76.9044 -32.0277 8.62008 -32.4783 -38.255 11.2938 10.1913 12.526 11.9361 TIMING: 4420200 CPU: 14047.3, 0.00313847/step Wall: 14047.3, 0.00313847/step, 0.505468 hours remaining, 238.613281 MB of memory in use. ENERGY: 4420200 3996.7502 20292.1873 14357.0999 234.5505 -203520.8785 2666.8982 0.0000 0.0000 51957.6583 -110015.7341 298.6014 -161973.3924 -109648.2219 297.8511 146.1100 174.3861 759197.5460 16.8545 16.8618 LDB: ============= START OF LOAD BALANCING ============== 14059.7 LDB: ============== END OF LOAD BALANCING =============== 14059.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14059.7 LDB: ============= START OF LOAD BALANCING ============== 14060 LDB: Largest compute 7026 load 0.035831 is 18.3% of average load 0.196185 LDB: Average compute 0.004383 is 2.2% of average load 0.196185 LDB: TIME 14060 LOAD: AVG 0.196185 MAX 0.219676 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 14060 LOAD: AVG 0.196185 MAX 0.219676 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 14060 LOAD: AVG 0.196185 MAX 0.217126 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 14060 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14060 PRESSURE: 4420400 -43.8977 -193.529 -10.2795 -193.529 -266.758 -14.455 -10.2797 -14.4554 -114.213 GPRESSURE: 4420400 25.0218 -149.936 -23.0653 -276.333 -246.365 33.9342 -17.6194 99.4073 -133.504 PRESSAVG: 4420400 25.4726 -40.076 -57.9728 -40.076 -63.773 7.78769 -57.9728 7.78766 -9.19909 GPRESSAVG: 4420400 26.7209 -42.0189 -57.7007 -41.2902 -64.9362 8.73011 -55.3437 8.24147 -8.877 TIMING: 4420400 CPU: 14047.9, 0.003201/step Wall: 14047.9, 0.003201/step, 0.515362 hours remaining, 237.843750 MB of memory in use. ENERGY: 4420400 3904.1896 20330.3681 14411.7659 242.0012 -203705.6583 2625.3430 0.0000 0.0000 52269.1753 -109922.8152 300.3917 -162191.9905 -109556.3651 297.9623 -141.6230 -118.2825 759798.5250 -15.8332 -15.6974 PRESSURE: 4420600 -124.46 12.6806 -159.403 12.6802 55.1754 121.217 -159.403 121.218 -118.023 GPRESSURE: 4420600 -125.326 19.7358 -99.4802 -17.886 56.5964 102.471 -174.198 127.534 -60.16 PRESSAVG: 4420600 17.7048 -22.8103 -4.22407 -22.8103 -27.3053 43.1761 -4.22412 43.1761 -32.364 GPRESSAVG: 4420600 17.2546 -20.4695 -5.0244 -25.2731 -26.4181 42.5703 -4.45024 43.9274 -33.1076 TIMING: 4420600 CPU: 14048.6, 0.00312831/step Wall: 14048.6, 0.00312831/step, 0.503485 hours remaining, 237.843750 MB of memory in use. ENERGY: 4420600 3964.7750 20594.6096 14423.7122 238.6994 -203717.1129 2718.1366 0.0000 0.0000 51707.1586 -110070.0216 297.1618 -161777.1802 -109707.5381 298.4283 -62.4359 -42.9633 760370.4330 -13.9882 -14.0903 PRESSURE: 4420800 275.883 55.5548 -14.2439 55.5561 221.569 48.5083 -14.2445 48.5087 174.152 GPRESSURE: 4420800 309.672 36.0621 22.9256 -40.9661 219.929 76.0469 45.5616 164.345 222.396 PRESSAVG: 4420800 80.2841 -28.169 13.0345 -28.169 -49.3781 -16.1462 13.0345 -16.1462 2.99136 GPRESSAVG: 4420800 80.4454 -28.271 13.1966 -27.6524 -49.3908 -16.3607 11.2381 -14.7326 3.2836 TIMING: 4420800 CPU: 14049.2, 0.00314817/step Wall: 14049.2, 0.00314817/step, 0.506506 hours remaining, 237.843750 MB of memory in use. ENERGY: 4420800 3988.4085 20430.5443 14474.4820 227.0598 -203690.7494 2849.0100 0.0000 0.0000 51989.5327 -109731.7119 298.7846 -161721.2447 -109374.4680 298.6271 223.8682 250.6659 760994.8919 11.2991 11.4461 PRESSURE: 4421000 -186.847 -210.512 67.9613 -210.512 209.777 81.6559 67.9622 81.6555 -63.6034 GPRESSURE: 4421000 -32.895 -214.558 92.6566 -184.751 171.145 4.23557 13.9725 164.937 -114.731 PRESSAVG: 4421000 29.6237 -55.9237 30.4272 -55.9237 -14.015 16.8505 30.4272 16.8505 -2.96722 GPRESSAVG: 4421000 30.5194 -55.0689 29.4757 -56.5063 -15.4789 18.3374 30.0222 13.6777 -2.50119 TIMING: 4421000 CPU: 14049.8, 0.0031512/step Wall: 14049.8, 0.0031512/step, 0.506818 hours remaining, 237.843750 MB of memory in use. ENERGY: 4421000 3966.2959 20521.8359 14348.2692 248.2367 -203671.1834 2745.1461 0.0000 0.0000 52089.0564 -109752.3433 299.3565 -161841.3996 -109392.2230 298.7889 -13.5578 7.8397 760076.8411 4.2138 4.1798 PRESSURE: 4421200 86.0783 63.2784 -6.83913 63.2796 -556.807 62.5817 -6.8391 62.5821 -168.489 GPRESSURE: 4421200 109.571 43.2925 13.8718 97.7643 -506.957 73.4301 -24.2213 53.7353 -136.542 PRESSAVG: 4421200 48.0846 -80.7249 19.127 -80.7248 -48.0999 16.3736 19.1269 16.3735 -15.5298 GPRESSAVG: 4421200 47.3438 -80.2286 20.1358 -79.7587 -46.2456 15.266 17.6384 18.1939 -16.5035 TIMING: 4421200 CPU: 14050.5, 0.00316684/step Wall: 14050.5, 0.00316684/step, 0.509157 hours remaining, 237.843750 MB of memory in use. ENERGY: 4421200 3918.6747 20378.5093 14459.3692 230.4770 -203301.2028 2578.7883 0.0000 0.0000 51715.6120 -110019.7723 297.2103 -161735.3842 -109664.4091 298.7007 -213.0725 -177.9760 761328.8693 -5.1817 -5.1351 PRESSURE: 4421400 -218.37 -75.524 -96.9227 -75.5239 -157.874 -102.463 -96.923 -102.462 -347.963 GPRESSURE: 4421400 -261.599 -35.0327 -9.96119 -161.691 -74.4129 -85.4924 -311.627 -42.8059 -308.615 PRESSAVG: 4421400 12.5707 -10.1329 -33.4958 -10.1328 -12.7797 -32.3607 -33.4958 -32.3607 -14.4589 GPRESSAVG: 4421400 12.6171 -11.0376 -32.9241 -9.91377 -13.6286 -29.7253 -32.8301 -34.8794 -13.8104 TIMING: 4421400 CPU: 14051.1, 0.00316051/step Wall: 14051.1, 0.00316051/step, 0.507965 hours remaining, 237.843750 MB of memory in use. ENERGY: 4421400 4024.3781 20617.2210 14441.3152 219.2890 -203632.5422 2538.8697 0.0000 0.0000 51592.2709 -110199.1982 296.5015 -161791.4691 -109853.3115 297.4644 -241.4022 -214.8757 760551.3757 -4.8893 -4.9406 PRESSURE: 4421600 -304.986 -216.673 15.0755 -216.674 -390.461 140.44 15.0752 140.44 -105.794 GPRESSURE: 4421600 -315.331 -69.0319 38.0224 -81.449 -394.677 0.549366 41.251 148.344 -0.148241 PRESSAVG: 4421600 29.941 -12.2677 -81.8987 -12.2677 -47.2546 35.2601 -81.8987 35.2602 -1.80423 GPRESSAVG: 4421600 29.199 -13.6762 -82.9489 -12.8958 -46.0486 33.1457 -79.7497 35.7522 -2.35813 TIMING: 4421600 CPU: 14051.7, 0.00315878/step Wall: 14051.7, 0.00315878/step, 0.507511 hours remaining, 237.843750 MB of memory in use. ENERGY: 4421600 4034.6899 20565.1583 14428.0436 250.4819 -203428.4346 2316.8770 0.0000 0.0000 51906.5825 -109926.6014 298.3078 -161833.1838 -109571.8419 297.8027 -267.0804 -236.7188 760006.5909 -6.3726 -6.4026 PRESSURE: 4421800 -185.281 -34.315 194.953 -34.3143 -194.969 -56.208 194.954 -56.2076 75.8381 GPRESSURE: 4421800 -162.045 53.7461 184.534 -76.0156 -138.567 -24.0058 131.035 -76.9496 58.8112 PRESSAVG: 4421800 -0.245633 -57.9294 0.205596 -57.9293 -0.770178 -35.1532 0.205625 -35.1532 -11.873 GPRESSAVG: 4421800 0.0848364 -56.3382 0.228668 -59.1241 -2.17244 -34.5724 -1.5321 -34.4532 -10.6189 TIMING: 4421800 CPU: 14052.4, 0.0031361/step Wall: 14052.4, 0.0031361/step, 0.503692 hours remaining, 237.843750 MB of memory in use. ENERGY: 4421800 4021.7750 20660.6779 14417.4584 244.7808 -203741.6985 2690.7547 0.0000 0.0000 51908.0529 -109798.1988 298.3163 -161706.2517 -109447.5280 298.2845 -101.4704 -80.6002 759285.4366 -4.2963 -4.2355 PRESSURE: 4422000 -96.7609 -40.0004 105.599 -39.9999 -249.087 163.228 105.598 163.229 33.3804 GPRESSURE: 4422000 -45.6937 67.6045 42.525 -144.302 -243.239 241.079 124.728 142.526 62.5289 PRESSAVG: 4422000 27.9077 -22.9842 -13.6386 -22.9842 42.5938 5.22714 -13.6386 5.22713 -3.42648 GPRESSAVG: 4422000 28.2928 -25.2165 -12.6706 -20.0915 43.2467 4.94294 -14.3252 7.6567 -4.45771 TIMING: 4422000 CPU: 14053, 0.00315031/step Wall: 14053, 0.00315031/step, 0.5058 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4422000 4095.3387 20548.6406 14455.1350 247.6389 -203863.5277 2876.6394 0.0000 0.0000 51784.1888 -109855.9462 297.6044 -161640.1351 -109492.7249 298.4852 -104.1558 -75.4680 759778.0072 22.3583 22.3606 PRESSURE: 4422200 -416.222 -195.78 -53.734 -195.78 -57.9077 189.544 -53.7344 189.544 -53.45 GPRESSURE: 4422200 -379.174 -54.493 -63.311 -306.995 0.526101 169.066 -131.68 191.239 -60.8525 PRESSAVG: 4422200 24.5902 -42.3641 13.5447 -42.3641 2.71518 15.8647 13.5447 15.8646 17.2452 GPRESSAVG: 4422200 24.8711 -40.7013 13.5029 -43.7618 4.06299 16.221 14.0733 12.3447 15.6125 TIMING: 4422200 CPU: 14053.6, 0.00314621/step Wall: 14053.6, 0.00314621/step, 0.504966 hours remaining, 237.843750 MB of memory in use. ENERGY: 4422200 3977.1243 20562.1396 14426.4791 239.9762 -203626.1089 2466.3584 0.0000 0.0000 52151.3673 -109802.6640 299.7146 -161954.0313 -109433.1279 298.4395 -175.8598 -146.5002 760431.9117 14.8502 14.8489 PRESSURE: 4422400 175.782 -21.6905 -39.1031 -21.6904 197.737 -111.04 -39.1021 -111.04 -73.6215 GPRESSURE: 4422400 163.672 -28.251 -78.9322 40.9405 196.82 -106.813 1.82127 61.6335 8.94821 PRESSAVG: 4422400 40.4036 -21.2908 -39.7088 -21.2908 -9.93433 -89.4535 -39.7089 -89.4534 -11.4974 GPRESSAVG: 4422400 40.0843 -23.4057 -39.0285 -18.6727 -11.1305 -89.3269 -39.2611 -86.6389 -10.3632 TIMING: 4422400 CPU: 14054.2, 0.00315924/step Wall: 14054.2, 0.00315924/step, 0.506883 hours remaining, 237.843750 MB of memory in use. ENERGY: 4422400 3979.4117 20592.3759 14392.3601 247.3954 -203740.4795 2847.0068 0.0000 0.0000 51951.3979 -109730.5317 298.5654 -161681.9296 -109371.0571 298.4344 99.9659 123.1465 759489.7797 6.3239 6.1969 PRESSURE: 4422600 80.4592 -84.7625 -175.384 -84.7626 -254.169 90.4214 -175.384 90.4222 -76.8716 GPRESSURE: 4422600 100.756 -161.472 -208.97 -133.075 -199.424 142.994 -201.658 122.011 -47.4912 PRESSAVG: 4422600 25.4133 -9.14392 3.1979 -9.14389 -27.0788 6.19825 3.1979 6.19819 1.22246 GPRESSAVG: 4422600 23.8298 -8.35262 1.90728 -10.5759 -26.0958 5.81239 3.38605 4.3133 1.35313 TIMING: 4422600 CPU: 14054.9, 0.00321248/step Wall: 14054.9, 0.00321248/step, 0.515247 hours remaining, 237.843750 MB of memory in use. ENERGY: 4422600 4040.9207 20471.0658 14453.3299 262.0860 -203851.7569 2985.6756 0.0000 0.0000 51998.6754 -109640.0036 298.8371 -161638.6790 -109278.8953 298.8309 -83.5271 -48.7198 760221.4673 -0.1477 -0.3043 PRESSURE: 4422800 -244.733 -173.273 -28.6303 -173.273 -110.866 140.443 -28.6313 140.442 -41.9239 GPRESSURE: 4422800 -221.104 -30.0672 -77.0886 -75.3058 -8.51695 154.325 -43.1842 221.786 -89.3673 PRESSAVG: 4422800 -31.4417 -20.158 43.7437 -20.1579 6.34927 19.4281 43.7437 19.428 -5.3634 GPRESSAVG: 4422800 -30.442 -18.9969 44.6579 -21.0306 6.248 19.5442 42.2309 19.232 -6.55561 TIMING: 4422800 CPU: 14055.5, 0.00318445/step Wall: 14055.5, 0.00318445/step, 0.510574 hours remaining, 237.843750 MB of memory in use. ENERGY: 4422800 3918.7395 20527.7476 14369.3620 231.6918 -203179.1106 2287.9777 0.0000 0.0000 52411.8629 -109431.7290 301.2117 -161843.5920 -109061.6009 299.0394 -132.5078 -106.3295 760659.7277 -10.1519 -10.2499 PRESSURE: 4423000 -59.3084 -58.062 5.53502 -58.0607 -112.82 -188.343 5.5351 -188.343 -5.68211 GPRESSURE: 4423000 63.0629 -93.3262 24.6552 -132.633 -188.582 -163.106 108.752 -344.419 37.0271 PRESSAVG: 4423000 -32.7681 -42.9664 45.4435 -42.9664 40.4231 29.2349 45.4436 29.235 4.2494 GPRESSAVG: 4423000 -32.4292 -43.0863 43.4985 -43.1296 38.3778 27.9231 46.0844 29.646 5.72516 TIMING: 4423000 CPU: 14056.2, 0.00317113/step Wall: 14056.2, 0.00317113/step, 0.508262 hours remaining, 237.843750 MB of memory in use. ENERGY: 4423000 4011.4689 20557.3989 14363.4803 242.8198 -203916.4943 3015.3059 0.0000 0.0000 52142.6690 -109583.3515 299.6646 -161726.0205 -109219.7782 299.1027 -59.2703 -29.4973 760040.9512 3.9681 3.8912 PRESSURE: 4423200 -138.705 135.353 -118.006 135.352 85.7954 125.006 -118.007 125.006 -44.4783 GPRESSURE: 4423200 -92.1856 75.5222 -60.8733 81.5336 169.524 111.02 60.527 248.664 -96.0209 PRESSAVG: 4423200 -11.7351 1.9977 60.082 1.99764 1.19398 -31.7935 60.082 -31.7935 -22.8013 GPRESSAVG: 4423200 -11.2449 1.73133 59.7961 0.792454 1.82882 -32.7173 61.786 -28.1342 -23.7361 TIMING: 4423200 CPU: 14056.8, 0.00315614/step Wall: 14056.8, 0.00315614/step, 0.505684 hours remaining, 237.843750 MB of memory in use. ENERGY: 4423200 3978.1531 20501.6074 14385.8780 259.9293 -203155.8745 2343.2671 0.0000 0.0000 52144.7575 -109542.2820 299.6766 -161687.0396 -109184.0969 299.5304 -32.4627 -6.2276 759766.7150 -11.1141 -11.0507 PRESSURE: 4423400 245.384 -176.844 -149.954 -176.845 -90.0338 33 -149.955 32.9995 81.6987 GPRESSURE: 4423400 325.619 -40.348 -125.38 -80.1601 -49.0536 27.4067 -159.996 14.246 40.4059 PRESSAVG: 4423400 44.5565 -32.6612 -0.988435 -32.6613 -41.3759 1.99778 -0.988464 1.99776 2.33725 GPRESSAVG: 4423400 44.5522 -32.1658 1.32835 -31.6996 -41.4223 4.17921 -2.22368 -0.671676 2.71957 TIMING: 4423400 CPU: 14057.4, 0.00316594/step Wall: 14057.4, 0.00316594/step, 0.507078 hours remaining, 237.843750 MB of memory in use. ENERGY: 4423400 4004.2089 20455.1418 14390.6239 246.7498 -203538.1383 2720.4177 0.0000 0.0000 52147.7901 -109573.2060 299.6941 -161720.9962 -109206.5225 298.7076 79.0162 105.6569 760928.0160 1.8393 1.9498 PRESSURE: 4423600 -128.238 -63.2282 -112.193 -63.2274 -17.2639 11.0033 -112.193 11.0023 -155.541 GPRESSURE: 4423600 -152.448 -29.4571 -53.3761 -66.9649 -28.2418 -86.7519 -106.971 -136.172 -14.7191 PRESSAVG: 4423600 52.103 -9.39501 0.301763 -9.395 -40.6563 -21.7337 0.301791 -21.7338 -18.5081 GPRESSAVG: 4423600 52.6581 -12.5128 0.604028 -9.48736 -40.835 -22.1024 0.321859 -22.2481 -18.8403 TIMING: 4423600 CPU: 14058.1, 0.00316134/step Wall: 14058.1, 0.00316134/step, 0.506165 hours remaining, 237.843750 MB of memory in use. ENERGY: 4423600 4060.6477 20533.0411 14394.6628 245.6523 -203183.3100 2411.6351 0.0000 0.0000 52047.4555 -109490.2155 299.1174 -161537.6711 -109139.6317 299.1256 -100.3475 -65.1362 761610.9747 -2.3538 -2.3391 PRESSURE: 4423800 273.257 41.0251 128.156 41.025 -152.373 -56.0968 128.157 -56.0964 186.498 GPRESSURE: 4423800 289.373 175.2 56.3027 -9.40972 -37.8086 -90.7957 31.6027 -39.6482 145.21 PRESSAVG: 4423800 55.9636 -26.1399 -17.0719 -26.1399 -29.9402 -23.4545 -17.0719 -23.4545 0.813343 GPRESSAVG: 4423800 55.4364 -24.0909 -17.333 -23.5428 -30.6256 -23.5984 -17.2008 -23.8319 2.01948 TIMING: 4423800 CPU: 14058.7, 0.00317962/step Wall: 14058.7, 0.00317962/step, 0.508916 hours remaining, 237.843750 MB of memory in use. ENERGY: 4423800 4038.7671 20458.8598 14439.1795 241.7749 -203228.8232 2670.9952 0.0000 0.0000 52105.3208 -109273.9260 299.4500 -161379.2468 -108911.3703 299.7209 102.4607 132.2582 761351.4923 8.9456 8.9434 PRESSURE: 4424000 -24.2283 28.2971 110.471 28.2965 163.27 17.2951 110.471 17.2957 392.043 GPRESSURE: 4424000 62.2789 -96.755 117.867 -86.6022 182.111 18.1639 109.592 12.5462 348.241 PRESSAVG: 4424000 13.0433 -25.4311 31.1853 -25.4311 -18.398 38.2611 31.1852 38.2612 8.33707 GPRESSAVG: 4424000 12.6052 -25.0809 32.6777 -29.396 -18.0229 38.567 29.5904 36.8818 8.30096 TIMING: 4424000 CPU: 14059.3, 0.00316895/step Wall: 14059.3, 0.00316895/step, 0.507032 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4424000 3981.5449 20446.5852 14388.1175 239.1150 -203178.8713 2561.3824 0.0000 0.0000 52083.1670 -109478.9593 299.3227 -161562.1263 -109120.4705 299.5040 177.0283 197.5436 761178.1345 0.9941 0.9611 PRESSURE: 4424200 89.3042 -55.3924 -73.4026 -55.392 -261.379 28.005 -73.4019 28.0053 9.09322 GPRESSURE: 4424200 101.152 -46.9171 3.2194 -39.4574 -199.771 32.6546 -42.0832 -95.0761 18.0917 PRESSAVG: 4424200 63.3297 -18.416 7.41782 -18.416 -88.844 13.7115 7.41783 13.7115 9.61274 GPRESSAVG: 4424200 63.4746 -17.1649 6.79621 -18.177 -87.9792 13.5138 10.4887 13.3489 8.01327 TIMING: 4424200 CPU: 14060, 0.00315239/step Wall: 14060, 0.00315239/step, 0.504208 hours remaining, 237.843750 MB of memory in use. ENERGY: 4424200 4015.4183 20516.4522 14447.2211 233.3168 -203045.6665 2528.3065 0.0000 0.0000 52026.8545 -109278.0971 298.9990 -161304.9516 -108912.4419 299.2894 -54.3273 -26.8423 761018.4831 -5.3005 -5.4971 LDB: ============= START OF LOAD BALANCING ============== 14072.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14072.4 LDB: =============== DONE WITH MIGRATION ================ 14072.4 LDB: ============= START OF LOAD BALANCING ============== 14072.7 LDB: Largest compute 7075 load 0.036846 is 18.8% of average load 0.196049 LDB: Average compute 0.004392 is 2.2% of average load 0.196049 LDB: TIME 14072.7 LOAD: AVG 0.196049 MAX 0.22039 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 14072.7 LOAD: AVG 0.196049 MAX 0.22039 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 14072.7 LOAD: AVG 0.196049 MAX 0.217849 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 14072.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14072.7 PRESSURE: 4424400 -227.296 103.444 -186.879 103.443 41.4562 131.744 -186.879 131.745 6.95309 GPRESSURE: 4424400 -220.098 192.695 -177.809 78.7113 -17.9745 143.127 -128.657 109.23 146.232 PRESSAVG: 4424400 12.2849 -34.559 -3.89728 -34.559 7.80978 -50.8717 -3.89727 -50.8717 5.77026 GPRESSAVG: 4424400 11.7187 -35.9148 -5.50447 -32.4765 7.81685 -51.3363 -5.55792 -48.9769 6.34246 TIMING: 4424400 CPU: 14060.6, 0.0032266/step Wall: 14060.6, 0.0032266/step, 0.515898 hours remaining, 238.613281 MB of memory in use. ENERGY: 4424400 4054.0459 20526.3069 14500.8634 245.5447 -203319.6988 2616.2406 0.0000 0.0000 52154.6299 -109222.0674 299.7334 -161376.6973 -108862.2593 299.7181 -59.6291 -30.6136 759547.3864 8.6216 8.6260 PRESSURE: 4424600 57.9837 16.8002 -123.36 16.7994 -56.7817 -9.5363 -123.359 -9.53702 198.426 GPRESSURE: 4424600 97.4619 23.4261 -177.064 31.8823 -19.2309 123.293 -129.225 -2.92846 197.306 PRESSAVG: 4424600 -23.516 -84.9884 -28.5663 -84.9885 27.5896 13.5034 -28.5663 13.5034 20.9261 GPRESSAVG: 4424600 -23.2716 -85.066 -29.176 -84.913 26.9007 13.9151 -27.6535 12.8393 20.8777 TIMING: 4424600 CPU: 14061.2, 0.003151/step Wall: 14061.2, 0.003151/step, 0.503635 hours remaining, 238.613281 MB of memory in use. ENERGY: 4424600 4000.8062 20357.9562 14469.0854 243.4631 -203046.3562 2528.4208 0.0000 0.0000 52173.1522 -109273.4723 299.8398 -161446.6245 -108897.9239 299.8909 66.5427 91.8458 761308.5240 8.3332 8.1689 PRESSURE: 4424800 -165.785 -33.1934 227.94 -33.1936 -14.7123 252.364 227.94 252.365 285.75 GPRESSURE: 4424800 -110.41 -189.557 259.326 -39.4864 -43.1173 173.226 213.746 342.257 370.871 PRESSAVG: 4424800 -27.91 -30.9512 -10.5756 -30.9512 50.5966 26.1644 -10.5756 26.1644 4.00763 GPRESSAVG: 4424800 -28.1136 -31.7657 -9.97892 -33.4343 50.7353 27.1566 -10.4771 24.1318 4.01525 TIMING: 4424800 CPU: 14061.9, 0.00317143/step Wall: 14061.9, 0.00317143/step, 0.506724 hours remaining, 238.613281 MB of memory in use. ENERGY: 4424800 4055.7043 20551.5957 14395.8791 239.6013 -202988.6843 2353.6456 0.0000 0.0000 52228.9025 -109163.3559 300.1602 -161392.2584 -108802.4653 299.6520 35.0845 72.4480 761395.1335 8.8981 8.8790 PRESSURE: 4425000 -411.094 -68.8005 -56.9917 -68.8006 16.6085 99.0803 -56.9919 99.0809 -116.007 GPRESSURE: 4425000 -291.394 -22.4817 62.7293 -74.9672 34.4326 33.9795 -10.8741 180.016 -174.898 PRESSAVG: 4425000 -6.51525 23.7636 38.0112 23.7636 0.481415 -26.2495 38.0112 -26.2496 3.1865 GPRESSAVG: 4425000 -6.00788 26.4299 39.2918 25.6461 0.000672479 -26.2724 38.6805 -23.3828 3.36949 TIMING: 4425000 CPU: 14062.5, 0.0031732/step Wall: 14062.5, 0.0031732/step, 0.506831 hours remaining, 238.613281 MB of memory in use. ENERGY: 4425000 3958.6154 20773.1508 14357.3347 255.1946 -203264.3155 2532.2510 0.0000 0.0000 52075.5865 -109312.1825 299.2791 -161387.7690 -108967.0026 299.4738 -170.1641 -143.9532 760218.6432 -0.9491 -0.8792 PRESSURE: 4425200 -42.5469 12.563 272.161 12.5631 -409.611 -31.1791 272.161 -31.1796 -110.044 GPRESSURE: 4425200 -64.6482 107.581 325.638 -54.2076 -332.111 11.2691 152.641 2.50579 -79.9027 PRESSAVG: 4425200 7.35213 -85.7794 -33.4004 -85.7794 -0.396577 15.5988 -33.4003 15.5988 -13.2962 GPRESSAVG: 4425200 6.70151 -87.2833 -32.5007 -86.0729 0.883475 16.367 -36.253 12.5055 -14.2161 TIMING: 4425200 CPU: 14063.1, 0.00316614/step Wall: 14063.1, 0.00316614/step, 0.505527 hours remaining, 238.613281 MB of memory in use. ENERGY: 4425200 3919.0895 20482.7353 14419.6121 253.0472 -202980.3311 2341.4598 0.0000 0.0000 52199.9156 -109364.4716 299.9936 -161564.3872 -108987.5607 299.2470 -187.4007 -158.8872 759751.3715 -2.1135 -2.2104 PRESSURE: 4425400 -38.8729 38.1323 97.4941 38.134 -236.106 25.8394 97.4946 25.8391 44.1083 GPRESSURE: 4425400 -14.1906 81.1921 188.425 -33.7377 -210.546 53.9951 60.4876 46.0378 72.9561 PRESSAVG: 4425400 31.0643 -73.6567 -5.85942 -73.6566 -50.9628 48.6393 -5.8594 48.6393 11.8564 GPRESSAVG: 4425400 31.6333 -72.9972 -7.11602 -72.3387 -51.2509 46.8383 -4.27236 51.3533 11.8182 TIMING: 4425400 CPU: 14063.8, 0.00318128/step Wall: 14063.8, 0.00318128/step, 0.507767 hours remaining, 238.613281 MB of memory in use. ENERGY: 4425400 4060.0183 20572.1317 14309.3525 246.6856 -203413.6696 2388.8532 0.0000 0.0000 52511.7397 -109324.8887 301.7857 -161836.6284 -108958.9601 299.2993 -76.9568 -50.5934 757771.4099 -2.6807 -2.5998 PRESSURE: 4425600 -25.2626 -137.195 288.467 -137.195 186.102 244.779 288.468 244.779 -12.5132 GPRESSURE: 4425600 47.155 -38.9955 214.04 -295.559 193.537 222.289 162.681 183.613 6.54417 PRESSAVG: 4425600 17.9416 -33.8674 27.3741 -33.8674 -25.2251 5.99753 27.3741 5.99753 13.3926 GPRESSAVG: 4425600 17.4417 -34.3443 25.5158 -35.1388 -25.6299 7.63001 27.9361 4.90415 14.2535 TIMING: 4425600 CPU: 14064.4, 0.0031757/step Wall: 14064.4, 0.0031757/step, 0.506701 hours remaining, 238.613281 MB of memory in use. ENERGY: 4425600 4014.2203 20579.9476 14339.1471 234.7873 -203296.2103 2586.5171 0.0000 0.0000 52063.9871 -109477.6037 299.2124 -161541.5908 -109113.3483 299.5353 49.4420 82.4120 758433.8832 2.0364 2.0218 PRESSURE: 4425800 99.3765 -40.9836 -104.887 -40.9834 -158.051 -194.1 -104.887 -194.101 329.817 GPRESSURE: 4425800 157.756 -59.9631 22.0324 -0.410449 -138.833 -191.127 -71.2117 -153.488 330.149 PRESSAVG: 4425800 -21.9978 0.117282 -30.3042 0.117287 -21.0433 -1.30637 -30.3042 -1.30638 24.8574 GPRESSAVG: 4425800 -20.1821 -1.04102 -28.1908 -0.745727 -22.0093 -0.867476 -28.9143 -1.28407 24.6238 TIMING: 4425800 CPU: 14065, 0.00316607/step Wall: 14065, 0.00316607/step, 0.504988 hours remaining, 238.613281 MB of memory in use. ENERGY: 4425800 4054.8825 20543.1726 14384.4024 234.0320 -203426.9960 2728.0059 0.0000 0.0000 52141.6229 -109340.8777 299.6586 -161482.5005 -108976.6828 299.5414 90.3810 116.3576 760485.8818 -6.0613 -5.8559 PRESSURE: 4426000 -528.767 112.062 -247.192 112.062 -138.845 -54.9038 -247.192 -54.902 21.4151 GPRESSURE: 4426000 -486.308 98.962 -231.832 28.1987 -79.4353 -17.4651 -338.155 -21.4306 23.4442 PRESSAVG: 4426000 -33.7137 -26.9277 -18.7899 -26.9278 36.8311 -17.2752 -18.7899 -17.2752 0.512506 GPRESSAVG: 4426000 -34.6259 -26.0436 -19.8594 -24.7817 37.9576 -18.2319 -21.3412 -16.9251 -0.00904081 TIMING: 4426000 CPU: 14065.7, 0.00314536/step Wall: 14065.7, 0.00314536/step, 0.50151 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4426000 3958.2703 20529.1014 14339.8574 236.5562 -203233.3455 2463.1181 0.0000 0.0000 52216.1952 -109490.2469 300.0872 -161706.4421 -109130.5034 298.8400 -215.3988 -180.7663 760683.0836 1.2100 1.1075 PRESSURE: 4426200 11.5094 22.3315 89.6327 22.3324 182.697 103.62 89.6318 103.619 -149.444 GPRESSURE: 4426200 71.7076 52.7919 110.11 27.8946 215.526 86.6732 96.083 36.3458 -135.14 PRESSAVG: 4426200 -58.8928 21.5745 -3.09356 21.5745 96.8458 -10.0799 -3.09353 -10.0799 -9.60137 GPRESSAVG: 4426200 -59.5759 21.3026 -1.88342 20.3645 97.2094 -8.54906 -2.19483 -13.8839 -8.92046 TIMING: 4426200 CPU: 14066.3, 0.00314567/step Wall: 14066.3, 0.00314567/step, 0.501385 hours remaining, 238.613281 MB of memory in use. ENERGY: 4426200 4057.9929 20548.8639 14406.5927 261.3407 -203210.2928 2494.5724 0.0000 0.0000 51819.4887 -109621.4415 297.8073 -161440.9302 -109267.5103 298.8802 14.9209 50.6978 758986.0760 9.4505 9.5710 PRESSURE: 4426400 158.992 83.3682 18.903 83.3681 189.7 168.3 18.9027 168.3 180.271 GPRESSURE: 4426400 271.016 -19.9602 -50.8069 90.1194 158.967 223.46 7.47809 103.76 181.655 PRESSAVG: 4426400 -24.4557 -13.0345 50.4537 -13.0344 38.3446 -17.5751 50.4538 -17.5751 4.33559 GPRESSAVG: 4426400 -24.7337 -15.497 50.1625 -12.1725 38.4544 -18.3215 51.3909 -15.8142 4.38678 TIMING: 4426400 CPU: 14066.9, 0.00315616/step Wall: 14066.9, 0.00315616/step, 0.502881 hours remaining, 238.613281 MB of memory in use. ENERGY: 4426400 4018.6569 20478.8513 14387.7836 241.2502 -203444.2531 2724.4735 0.0000 0.0000 51967.8823 -109625.3552 298.6601 -161593.2376 -109262.3556 298.9850 176.3209 203.8796 759280.6098 6.0748 6.0358 PRESSURE: 4426600 -254.701 -169.269 202.174 -169.269 -121.265 64.7629 202.174 64.7635 82.4079 GPRESSURE: 4426600 -240.667 -231.616 182.547 -169.96 -53.6356 110.061 327.321 -22.5566 96.0968 PRESSAVG: 4426600 -7.52723 12.3609 24.2101 12.3609 11.7266 -50.9828 24.2102 -50.9827 -41.5033 GPRESSAVG: 4426600 -7.67292 14.7376 24.9777 10.8363 11.4722 -52.7875 23.3597 -50.0694 -41.1594 TIMING: 4426600 CPU: 14067.6, 0.00315312/step Wall: 14067.6, 0.00315312/step, 0.502222 hours remaining, 238.613281 MB of memory in use. ENERGY: 4426600 3944.9064 20532.7081 14403.7378 269.6731 -203304.4511 2488.9739 0.0000 0.0000 52195.2153 -109469.2365 299.9666 -161664.4518 -109107.5020 299.0082 -97.8527 -66.0686 760136.1957 -12.4346 -12.4534 PRESSURE: 4426800 -31.605 196.157 -7.19168 196.158 321.008 8.3544 -7.19249 8.35599 -383.961 GPRESSURE: 4426800 -21.9186 164.975 72.1699 222.154 371.001 17.1507 -16.4429 -71.9711 -354.739 PRESSAVG: 4426800 21.8076 -1.54647 2.54241 -1.54644 3.97861 -101.227 2.5424 -101.227 32.1295 GPRESSAVG: 4426800 22.9983 -4.64163 1.4776 -0.234253 3.02595 -99.9958 3.56153 -100.349 31.6206 TIMING: 4426800 CPU: 14068.2, 0.00316124/step Wall: 14068.2, 0.00316124/step, 0.50334 hours remaining, 238.613281 MB of memory in use. ENERGY: 4426800 3963.5798 20473.9897 14380.0575 254.8121 -203005.6839 2275.5362 0.0000 0.0000 52054.1855 -109603.5231 299.1561 -161657.7086 -109245.1190 299.0902 -31.5195 -1.8855 759114.5976 19.3053 19.2149 PRESSURE: 4427000 24.5957 -156.57 122.237 -156.571 66.8135 -117.028 122.238 -117.029 282.164 GPRESSURE: 4427000 34.4297 -166.126 96.8679 -117.187 14.0591 -149.674 231.471 -43.0183 425.901 PRESSAVG: 4427000 36.2278 -19.4311 32.2442 -19.431 -33.7002 3.54417 32.2442 3.5442 -11.6427 GPRESSAVG: 4427000 34.9069 -17.4777 32.949 -19.2695 -33.8852 4.74757 30.4126 2.81047 -10.5804 TIMING: 4427000 CPU: 14068.8, 0.00317219/step Wall: 14068.8, 0.00317219/step, 0.504908 hours remaining, 238.613281 MB of memory in use. ENERGY: 4427000 4011.8825 20370.1696 14432.0324 246.9943 -203014.7007 2383.8847 0.0000 0.0000 51934.0425 -109635.6947 298.4657 -161569.7372 -109272.4341 298.2629 124.5243 158.1301 760434.9495 -3.0384 -3.1862 PRESSURE: 4427200 -3.06247 76.29 -299.566 76.2892 -203.904 121.543 -299.566 121.543 520.278 GPRESSURE: 4427200 -24.7785 -72.3789 -265.257 130.69 -125.749 93.1375 -188.969 185.019 563.298 PRESSAVG: 4427200 -34.3804 12.6402 -3.39292 12.6402 39.9888 -2.93774 -3.39298 -2.93773 9.73917 GPRESSAVG: 4427200 -34.5284 13.7076 -2.65065 11.6882 41.5636 -2.58142 -0.335364 -4.73616 7.79257 TIMING: 4427200 CPU: 14069.5, 0.00315017/step Wall: 14069.5, 0.00315017/step, 0.501227 hours remaining, 238.613281 MB of memory in use. ENERGY: 4427200 3948.5205 20556.3348 14376.7301 230.4879 -202897.4995 2512.1191 0.0000 0.0000 51824.9664 -109448.3406 297.8388 -161273.3071 -109074.6123 298.3710 104.4375 137.5902 761739.6893 5.1159 4.9426 PRESSURE: 4427400 -224.845 -100.066 -9.33159 -100.066 18.9275 -114.807 -9.33203 -114.808 -263.639 GPRESSURE: 4427400 -148.227 -6.57408 -50.7689 -147.924 48.9492 -114.793 -96.9003 -102.672 -283.036 PRESSAVG: 4427400 -16.9551 -2.8165 -7.32876 -2.8165 -23.8275 -27.5925 -7.32869 -27.5925 -9.54413 GPRESSAVG: 4427400 -16.0211 -0.721406 -8.55673 -4.2137 -25.083 -28.7326 -8.72925 -25.096 -8.78957 TIMING: 4427400 CPU: 14070.1, 0.00317451/step Wall: 14070.1, 0.00317451/step, 0.504923 hours remaining, 238.613281 MB of memory in use. ENERGY: 4427400 4057.1087 20546.3769 14415.4710 259.2139 -202568.3510 2203.5483 0.0000 0.0000 51750.0079 -109336.6243 297.4080 -161086.6322 -108981.8790 298.7267 -156.5188 -127.4377 762969.7569 -16.7756 -16.6312 PRESSURE: 4427600 314.285 92.4283 -4.50278 92.4279 -256.568 188.083 -4.50243 188.084 347.197 GPRESSURE: 4427600 259.675 51.3151 -60.9073 129.339 -242.664 257.494 -122.944 -49.4435 482.736 PRESSAVG: 4427600 4.65301 -44.0159 -15.1417 -44.0158 -24.2083 -41.3228 -15.1418 -41.3228 -19.9978 GPRESSAVG: 4427600 4.83121 -45.2327 -14.161 -45.7678 -24.474 -41.726 -16.0305 -42.7175 -19.4492 TIMING: 4427600 CPU: 14070.7, 0.00316424/step Wall: 14070.7, 0.00316424/step, 0.503114 hours remaining, 238.613281 MB of memory in use. ENERGY: 4427600 3959.4771 20654.0374 14454.6553 238.5626 -203399.1445 2895.3377 0.0000 0.0000 51890.4168 -109306.6576 298.2149 -161197.0744 -108948.7887 299.5214 134.9714 166.5824 762036.3797 -13.1844 -13.0307 PRESSURE: 4427800 290.651 -25.8669 95.4616 -25.8663 69.608 176.484 95.4628 176.484 -3.35212 GPRESSURE: 4427800 275.937 11.9121 75.2419 7.88588 110.998 178.505 -43.9013 90.3473 52.2224 PRESSAVG: 4427800 4.17823 6.85989 -28.7073 6.85992 -13.9978 -42.0451 -28.7073 -42.0452 10.5968 GPRESSAVG: 4427800 3.65756 6.53445 -28.46 9.29164 -13.9776 -42.586 -28.0874 -42.6888 11.2093 TIMING: 4427800 CPU: 14071.4, 0.00316529/step Wall: 14071.4, 0.00316529/step, 0.503105 hours remaining, 238.613281 MB of memory in use. ENERGY: 4427800 3985.5812 20664.4406 14377.8984 241.6724 -203416.8005 2853.4958 0.0000 0.0000 51957.1225 -109336.5896 298.5983 -161293.7122 -108971.9755 298.9390 118.9689 146.3857 759998.7535 0.2591 0.2964 PRESSURE: 4428000 356.316 -88.176 236.934 -88.1761 528.118 -48.3397 236.933 -48.3384 127.903 GPRESSURE: 4428000 395.608 -179.999 247.084 -95.8908 552.941 -3.77906 297.115 -32.6048 138.561 PRESSAVG: 4428000 16.5579 -16.1941 21.248 -16.1941 28.2709 -49.3687 21.248 -49.3687 -26.4003 GPRESSAVG: 4428000 17.1845 -15.7522 19.8504 -17.3932 27.5785 -49.635 20.8782 -48.0418 -26.5495 TIMING: 4428000 CPU: 14072, 0.003157/step Wall: 14072, 0.003157/step, 0.501613 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4428000 3999.3497 20388.0858 14392.5171 238.7027 -203479.1788 2896.1023 0.0000 0.0000 52374.6800 -109189.7411 300.9980 -161564.4211 -108817.2411 299.0178 337.4454 362.3702 761766.9933 6.1428 6.0712 PRESSURE: 4428200 210.632 -39.3846 252.886 -39.3845 -391.852 -22.9813 252.885 -22.9809 -297.439 GPRESSURE: 4428200 260.026 -46.8018 226.795 27.8959 -361.913 50.6727 312.465 -78.737 -269.617 PRESSAVG: 4428200 -6.97989 -6.80773 -14.5905 -6.80764 -34.9526 -83.2019 -14.5906 -83.2019 -4.76656 GPRESSAVG: 4428200 -8.05631 -8.69442 -13.8975 -4.32725 -33.6512 -82.4393 -12.6849 -83.8132 -4.65493 TIMING: 4428200 CPU: 14072.6, 0.00316349/step Wall: 14072.6, 0.00316349/step, 0.502468 hours remaining, 238.613281 MB of memory in use. ENERGY: 4428200 3975.8650 20513.1561 14360.2204 252.0806 -203292.4355 2648.2869 0.0000 0.0000 52433.5873 -109109.2390 301.3365 -161542.8264 -108747.2797 299.6535 -159.5529 -123.8345 761202.4008 -15.5664 -15.4541 LDB: ============= START OF LOAD BALANCING ============== 14085 LDB: ============== END OF LOAD BALANCING =============== 14085 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14085 LDB: ============= START OF LOAD BALANCING ============== 14085.3 LDB: Largest compute 7073 load 0.034788 is 17.7% of average load 0.196105 LDB: Average compute 0.004361 is 2.2% of average load 0.196105 LDB: TIME 14085.3 LOAD: AVG 0.196105 MAX 0.215225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.48 MB LDB: TIME 14085.3 LOAD: AVG 0.196105 MAX 0.215225 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.48 MB LDB: TIME 14085.3 LOAD: AVG 0.196105 MAX 0.215225 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14085.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14085.4 PRESSURE: 4428400 13.4888 148 -296.134 148.001 17.5577 -14.9135 -296.134 -14.914 -79.4944 GPRESSURE: 4428400 44.1702 277.68 -252.609 56.9739 -27.1351 -8.13103 -253.169 -16.5053 32.3535 PRESSAVG: 4428400 54.3742 -39.7136 1.65593 -39.7136 -24.9362 -10.1708 1.65581 -10.1708 -0.046402 GPRESSAVG: 4428400 54.5437 -39.4339 1.83333 -40.1961 -26.344 -12.0487 0.845973 -7.76091 1.03365 TIMING: 4428400 CPU: 14073.3, 0.00325105/step Wall: 14073.3, 0.00325105/step, 0.516194 hours remaining, 238.410156 MB of memory in use. ENERGY: 4428400 3915.4760 20659.5145 14414.9730 258.5431 -203019.3622 2474.3268 0.0000 0.0000 52170.2764 -109126.2524 299.8233 -161296.5288 -108771.7221 299.8793 -16.1493 16.4629 761348.1640 9.7972 9.7445 PRESSURE: 4428600 -327.515 -20.7879 -24.9018 -20.7882 385.682 -24.671 -24.9023 -24.6698 -152.096 GPRESSURE: 4428600 -200.294 -130.403 38.9368 -55.2868 340.606 57.0338 61.8496 -158.312 -145.516 PRESSAVG: 4428600 23.8448 12.8264 -35.8556 12.8263 -17.5644 11.5027 -35.8556 11.5027 -0.15512 GPRESSAVG: 4428600 25.1329 13.4657 -36.2633 10.3129 -17.1061 13.3999 -37.3388 10.5554 -2.36534 TIMING: 4428600 CPU: 14073.9, 0.00316788/step Wall: 14073.9, 0.00316788/step, 0.502813 hours remaining, 238.480469 MB of memory in use. ENERGY: 4428600 4085.8993 20706.1566 14357.6135 229.7149 -203217.3447 2677.6178 0.0000 0.0000 52098.7542 -109061.5883 299.4123 -161160.3425 -108708.0944 299.7599 -31.3098 -1.7345 760961.1264 2.0417 1.8871 PRESSURE: 4428800 8.84582 86.1574 161.919 86.1575 183.111 -273.026 161.919 -273.026 -188.487 GPRESSURE: 4428800 70.1743 224.225 183.021 66.4546 117.121 -233.847 74.959 -227.114 -100.631 PRESSAVG: 4428800 17.6718 15.1225 42.2903 15.1225 -67.4046 -35.1108 42.2903 -35.1109 5.3368 GPRESSAVG: 4428800 15.8352 16.5901 43.5251 14.9428 -66.4556 -35.3404 41.9384 -33.6062 6.23156 TIMING: 4428800 CPU: 14074.5, 0.00316022/step Wall: 14074.5, 0.00316022/step, 0.501421 hours remaining, 238.480469 MB of memory in use. ENERGY: 4428800 4018.3969 20630.0817 14337.0935 242.0124 -203309.5338 2606.7443 0.0000 0.0000 52204.6082 -109270.5969 300.0206 -161475.2050 -108905.0423 299.7491 1.1566 28.8880 761022.6885 -14.7987 -14.7963 PRESSURE: 4429000 164.907 206.504 10.8391 206.504 82.6614 146.975 10.8388 146.975 260.878 GPRESSURE: 4429000 235.807 140.227 91.0524 203.785 110.085 129.475 -72.8238 -23.6167 258.56 PRESSAVG: 4429000 52.483 53.9694 0.586548 53.9694 2.57387 -83.8651 0.586556 -83.8651 4.6931 GPRESSAVG: 4429000 52.0159 51.0567 1.10749 55.5291 2.45478 -83.132 0.171523 -86.9245 5.1727 TIMING: 4429000 CPU: 14075.2, 0.00317012/step Wall: 14075.2, 0.00317012/step, 0.502817 hours remaining, 238.480469 MB of memory in use. ENERGY: 4429000 4001.9456 20606.7781 14420.5119 238.1539 -203423.8069 2545.9463 0.0000 0.0000 52031.9662 -109578.5049 299.0284 -161610.4711 -109212.8652 299.5733 169.4821 201.4841 760444.1274 19.9167 19.8811 PRESSURE: 4429200 287.127 -52.9399 32.867 -52.9401 336.629 67.0685 32.8665 67.0689 -228.159 GPRESSURE: 4429200 256.995 -158.414 158.376 -89.1323 330.479 179.129 13.8768 5.58677 -111.346 PRESSAVG: 4429200 -34.3306 68.9434 -7.55183 68.9434 54.1148 56.9437 -7.55184 56.9437 -29.3215 GPRESSAVG: 4429200 -32.4567 70.9313 -9.01758 69.6615 53.8851 55.8669 -7.0133 56.9229 -30.585 TIMING: 4429200 CPU: 14075.8, 0.00316682/step Wall: 14075.8, 0.00316682/step, 0.502117 hours remaining, 238.480469 MB of memory in use. ENERGY: 4429200 3993.2276 20391.6720 14438.8337 247.2399 -203162.0482 2501.2609 0.0000 0.0000 51970.3974 -109619.4168 298.6746 -161589.8142 -109256.9373 298.9420 131.8660 158.7094 760355.5621 -3.1791 -3.0522 PRESSURE: 4429400 -233.141 193.545 -316.005 193.545 -178.646 -162.791 -316.006 -162.79 20.2654 GPRESSURE: 4429400 -145.999 213.761 -198.143 131.151 -116.239 -108.295 -375.975 -110.989 -57.3246 PRESSAVG: 4429400 5.26812 1.56985 -25.8537 1.56997 19.5222 -56.8376 -25.8537 -56.8377 -18.0173 GPRESSAVG: 4429400 4.48667 1.84821 -25.4527 -0.450072 19.3776 -55.6589 -27.3391 -55.1576 -17.422 TIMING: 4429400 CPU: 14076.4, 0.00315584/step Wall: 14076.4, 0.00315584/step, 0.500201 hours remaining, 238.480469 MB of memory in use. ENERGY: 4429400 3979.0514 20507.8381 14372.1336 248.2347 -203224.4908 2636.3075 0.0000 0.0000 51974.3184 -109506.6070 298.6971 -161480.9254 -109149.5184 298.6830 -130.5071 -106.5208 761054.3672 2.2577 2.1474 PRESSURE: 4429600 -191.009 118.202 -78.1197 118.201 -169.06 108.255 -78.1201 108.255 313.028 GPRESSURE: 4429600 -151.025 45.0298 -9.01338 102.387 -138.199 70.7158 -98.9012 59.265 319.057 PRESSAVG: 4429600 4.21293 -22.1835 -20.7781 -22.1836 -19.7041 -2.60016 -20.7781 -2.60019 -12.6902 GPRESSAVG: 4429600 3.87721 -24.7308 -20.6312 -20.9381 -19.1268 -2.9418 -20.7142 -4.77403 -12.4084 TIMING: 4429600 CPU: 14077.1, 0.00314099/step Wall: 14077.1, 0.00314099/step, 0.497673 hours remaining, 238.480469 MB of memory in use. ENERGY: 4429600 3974.7078 20616.6863 14321.9126 245.0617 -202874.3203 2307.0295 0.0000 0.0000 52158.4208 -109250.5016 299.7552 -161408.9224 -108894.7541 298.9228 -15.6803 9.9445 762080.4910 -9.3938 -9.2193 PRESSURE: 4429800 -3.66365 47.0361 -323.413 47.0354 -365.362 78.2755 -323.413 78.2749 -164.628 GPRESSURE: 4429800 -68.052 105.344 -309.916 147.069 -241.66 158.062 -379.42 0.813743 -123.162 PRESSAVG: 4429800 20.9526 19.7033 -55.8815 19.7032 -28.8114 -16.126 -55.8816 -16.126 17.4144 GPRESSAVG: 4429800 21.363 21.6575 -57.7512 19.2643 -28.0463 -16.1344 -54.4664 -16.2398 16.4041 TIMING: 4429800 CPU: 14077.7, 0.00314973/step Wall: 14077.7, 0.00314973/step, 0.498881 hours remaining, 238.480469 MB of memory in use. ENERGY: 4429800 4038.4836 20384.2442 14405.5369 260.2407 -203301.4870 2689.4570 0.0000 0.0000 52382.4011 -109141.1235 301.0424 -161523.5246 -108777.2942 299.2890 -177.8845 -144.2913 761369.2840 3.1852 3.2403 PRESSURE: 4430000 -206.668 -19.0359 140.39 -19.0356 -109.539 -168.607 140.39 -168.607 -74.3204 GPRESSURE: 4430000 -190.717 22.6822 19.4414 -63.2282 -38.1373 -137.121 146.662 -159.247 -108.521 PRESSAVG: 4430000 -60.97 -34.6325 -19.6976 -34.6325 24.256 -59.0145 -19.6975 -59.0145 1.42322 GPRESSAVG: 4430000 -61.9666 -34.869 -19.2182 -35.3224 24.3341 -59.8815 -19.3881 -58.9076 2.68702 TIMING: 4430000 CPU: 14078.3, 0.00314205/step Wall: 14078.3, 0.00314205/step, 0.497491 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4430000 3959.9201 20787.1000 14382.5653 237.9638 -202682.3618 2087.8292 0.0000 0.0000 52221.7411 -109005.2423 300.1191 -161226.9834 -108651.1756 300.2255 -130.1759 -112.4584 761972.7796 -11.7636 -11.6485 PRESSURE: 4430200 -61.5494 70.1045 -21.3625 70.1045 312.539 -179.927 -21.3626 -179.927 -3.3043 GPRESSURE: 4430200 6.72097 112.638 0.911389 32.7435 291.853 -166.137 -13.5989 -140.175 14.3774 PRESSAVG: 4430200 83.2469 -40.2781 8.95678 -40.278 -45.2661 -22.2259 8.95679 -22.2258 -10.8455 GPRESSAVG: 4430200 83.2427 -40.3677 8.66672 -40.408 -46.167 -22.2451 9.65923 -21.9317 -10.1867 TIMING: 4430200 CPU: 14079, 0.00315108/step Wall: 14079, 0.00315107/step, 0.498745 hours remaining, 238.480469 MB of memory in use. ENERGY: 4430200 3958.7925 20640.1731 14400.1614 223.4750 -203282.7991 2750.0671 0.0000 0.0000 51990.5086 -109319.6214 298.7902 -161310.1300 -108955.5086 299.8147 82.5617 104.3172 760159.8488 9.0451 8.9630 PRESSURE: 4430400 71.6892 21.4569 -262.735 21.4583 -23.2286 -287.353 -262.735 -287.353 85.6065 GPRESSURE: 4430400 66.7548 -47.7073 -242.597 72.1154 50.5689 -221.483 -179.156 -274.919 117.278 PRESSAVG: 4430400 74.9941 -36.1544 -4.31551 -36.1544 -43.5473 13.9066 -4.31563 13.9066 -15.6328 GPRESSAVG: 4430400 74.5224 -38.7436 -4.45148 -34.3252 -41.4778 13.8973 -5.0897 16.1642 -17.1792 TIMING: 4430400 CPU: 14079.6, 0.00313537/step Wall: 14079.6, 0.00313537/step, 0.496085 hours remaining, 238.480469 MB of memory in use. ENERGY: 4430400 3953.7658 20634.3097 14373.1225 239.1232 -203325.5303 2761.6336 0.0000 0.0000 51955.1138 -109408.4619 298.5868 -161363.5756 -109050.3342 299.3913 44.6890 78.2006 761305.7762 5.2714 5.2885 PRESSURE: 4430600 346.732 -32.0524 95.5451 -32.0536 -84.0392 80.9996 95.5463 80.9996 -558.119 GPRESSURE: 4430600 341.035 -102.055 105.672 58.5712 -108.083 91.3157 241.624 -0.628536 -465.946 PRESSAVG: 4430600 8.69646 11.8851 -18.3687 11.885 -23.1436 -9.39955 -18.3688 -9.39953 28.0723 GPRESSAVG: 4430600 10.0106 15.4723 -17.6564 10.7307 -24.2243 -9.26084 -18.3971 -13.0042 28.3281 TIMING: 4430600 CPU: 14080.2, 0.0031434/step Wall: 14080.2, 0.0031434/step, 0.497181 hours remaining, 238.480469 MB of memory in use. ENERGY: 4430600 4004.2176 20315.8903 14389.8421 267.6035 -202886.8855 2346.8759 0.0000 0.0000 51896.8733 -109665.5828 298.2520 -161562.4561 -109299.6688 298.3051 -98.4754 -77.6645 762595.4610 4.5417 4.7048 PRESSURE: 4430800 -156.612 -118.195 112.345 -118.195 2.10575 153.893 112.345 153.893 -90.2591 GPRESSURE: 4430800 -104.466 -70.7565 62.6794 -114.596 -30.1137 112.338 83.1847 115.171 -24.2645 PRESSAVG: 4430800 -0.935511 -14.8887 -51.6049 -14.8886 -19.4362 23.5566 -51.6049 23.5566 -17.7209 GPRESSAVG: 4430800 -1.53114 -15.5817 -50.4374 -14.4179 -20.0029 22.0812 -53.9587 24.6096 -16.9615 TIMING: 4430800 CPU: 14080.8, 0.00316155/step Wall: 14080.8, 0.00316155/step, 0.499876 hours remaining, 238.480469 MB of memory in use. ENERGY: 4430800 3992.7447 20379.8234 14388.0837 248.8250 -203305.7131 2631.6802 0.0000 0.0000 52025.7389 -109638.8173 298.9926 -161664.5562 -109285.3679 298.4165 -81.5886 -52.9480 762729.4787 -12.6975 -12.8319 PRESSURE: 4431000 -163.525 -6.12282 -51.7086 -6.12338 145.411 24.8012 -51.7072 24.8012 123.547 GPRESSURE: 4431000 -89.2992 -184.36 20.2031 32.0248 194.269 0.475933 -20.3004 6.59451 79.2937 PRESSAVG: 4431000 16.4945 -41.5239 -46.4002 -41.5239 9.08651 -27.2029 -46.4002 -27.2029 14.4463 GPRESSAVG: 4431000 17.1902 -41.4339 -47.1543 -40.7715 8.39807 -25.4946 -45.27 -28.9886 14.4904 TIMING: 4431000 CPU: 14081.5, 0.00315999/step Wall: 14081.5, 0.00315999/step, 0.499454 hours remaining, 238.480469 MB of memory in use. ENERGY: 4431000 3977.4725 20418.7189 14337.4632 253.2566 -203278.2256 2658.5665 0.0000 0.0000 52117.6611 -109515.0868 299.5209 -161632.7479 -109159.5654 299.1097 35.1446 61.4213 759601.8099 13.3424 13.3595 PRESSURE: 4431200 -166.058 56.8613 -397.203 56.8606 138.245 283.393 -397.203 283.392 80.1862 GPRESSURE: 4431200 -57.6182 71.0446 -404.391 183.794 93.2563 261.367 -398.614 385.906 113 PRESSAVG: 4431200 8.12211 -37.3958 -5.2813 -37.3957 -18.6233 20.0173 -5.28127 20.0174 -1.73153 GPRESSAVG: 4431200 7.89605 -37.5201 -6.26438 -36.1845 -19.0846 19.0375 -4.32413 23.2825 -1.4693 TIMING: 4431200 CPU: 14082.1, 0.00315594/step Wall: 14082.1, 0.00315594/step, 0.498638 hours remaining, 238.480469 MB of memory in use. ENERGY: 4431200 3916.9964 20670.4766 14436.4869 234.5655 -203444.1207 2545.7923 0.0000 0.0000 52212.5083 -109427.2946 300.0660 -161639.8030 -109059.8506 299.3406 17.4578 49.5462 760784.1787 -4.0776 -4.2193 PRESSURE: 4431400 87.1058 -77.4529 -12.0573 -77.4525 -307.466 120.959 -12.0575 120.959 -124.551 GPRESSURE: 4431400 49.3753 -47.5037 14.3681 -127.408 -287.357 60.069 -15.5244 80.3304 -23.9392 PRESSAVG: 4431400 63.7917 2.85835 -22.024 2.8584 -12.3525 65.5752 -22.024 65.5752 1.39308 GPRESSAVG: 4431400 63.0925 5.19006 -21.5034 -0.33331 -12.0938 65.8586 -22.5899 63.547 1.76733 TIMING: 4431400 CPU: 14082.7, 0.00315489/step Wall: 14082.7, 0.00315489/step, 0.498298 hours remaining, 238.480469 MB of memory in use. ENERGY: 4431400 3961.9392 20508.7852 14429.4083 265.9548 -203612.2340 2648.1487 0.0000 0.0000 52111.9004 -109686.0973 299.4878 -161797.9977 -109319.0075 299.2339 -114.9706 -87.3068 761287.3290 17.6108 17.5887 PRESSURE: 4431600 21.7014 -226.764 -107.387 -226.765 63.5771 146.803 -107.387 146.803 123.521 GPRESSURE: 4431600 51.2706 -203.344 -80.7558 -177.32 242.828 193.471 -220.939 107.491 9.94567 PRESSAVG: 4431600 78.9711 -5.60232 -50.626 -5.60241 -60.0677 -93.5346 -50.626 -93.5345 -6.79482 GPRESSAVG: 4431600 78.6307 -6.96055 -51.5831 -5.01114 -59.2681 -91.4333 -50.1897 -95.2454 -7.39721 TIMING: 4431600 CPU: 14083.4, 0.00315104/step Wall: 14083.4, 0.00315104/step, 0.497514 hours remaining, 238.480469 MB of memory in use. ENERGY: 4431600 4056.8594 20446.3743 14497.2933 238.6456 -203672.2184 2681.2219 0.0000 0.0000 51839.3218 -109912.5020 297.9213 -161751.8239 -109548.5414 298.7484 69.5998 101.3480 761953.4296 4.0362 3.9885 PRESSURE: 4431800 364.645 -165.832 -324.566 -165.832 126.483 -123.345 -324.565 -123.344 -242.16 GPRESSURE: 4431800 435.308 -151.787 -363.988 -111.696 149.361 -69.62 -188.444 -58.6171 -249.614 PRESSAVG: 4431800 37.8442 -10.8656 -73.446 -10.8656 -37.063 2.79657 -73.446 2.7966 -17.8305 GPRESSAVG: 4431800 38.6384 -10.7403 -72.7367 -10.6441 -37.8478 1.09444 -73.1375 5.05271 -18.5017 TIMING: 4431800 CPU: 14084, 0.00315082/step Wall: 14084, 0.00315082/step, 0.497304 hours remaining, 238.480469 MB of memory in use. ENERGY: 4431800 4034.0973 20498.9062 14351.0544 239.5376 -204008.1435 3006.9478 0.0000 0.0000 52072.2716 -109805.3286 299.2601 -161877.6002 -109441.7952 298.4529 82.9897 111.6850 760991.6267 -5.6831 -5.9037 PRESSURE: 4432000 -610.177 -46.7771 -171.838 -46.7774 -188.562 59.603 -171.837 59.6041 275.459 GPRESSURE: 4432000 -559.813 12.7211 -163.546 -140.154 -78.4894 104.61 -167.08 35.5243 188.375 PRESSAVG: 4432000 12.0729 -16.2304 -26.7861 -16.2304 -12.872 28.9354 -26.7861 28.9354 41.7858 GPRESSAVG: 4432000 11.9815 -13.9204 -27.8522 -17.5384 -12.6584 28.7394 -25.1411 27.7497 41.5118 TIMING: 4432000 CPU: 14084.6, 0.00316225/step Wall: 14084.6, 0.00316225/step, 0.498933 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4432000 3964.4506 20473.0909 14418.6620 244.2099 -203204.5623 2411.5382 0.0000 0.0000 51803.0480 -109889.5626 297.7128 -161692.6106 -109520.5963 298.5868 -174.4267 -149.9758 763718.7101 13.6622 13.6116 PRESSURE: 4432200 -91.7713 -154.017 -131.833 -154.018 373.254 41.1467 -131.833 41.1467 43.3826 GPRESSURE: 4432200 -120.652 -156.698 -206.838 -170.525 421.169 47.3079 -41.3594 -68.2484 107.679 PRESSAVG: 4432200 30.3843 -44.0072 2.59744 -44.0073 -39.3288 -15.841 2.59743 -15.8409 -33.0881 GPRESSAVG: 4432200 29.4569 -46.9779 4.8897 -42.0833 -39.2709 -16.8562 1.32215 -16.5607 -31.9231 TIMING: 4432200 CPU: 14085.3, 0.00316125/step Wall: 14085.3, 0.00316125/step, 0.4986 hours remaining, 238.480469 MB of memory in use. ENERGY: 4432200 3983.6451 20502.1664 14404.0509 241.8366 -203715.8224 2665.5878 0.0000 0.0000 52244.8364 -109673.6992 300.2518 -161918.5357 -109320.6274 298.8032 108.2885 136.0653 760358.0977 -14.0108 -13.9124 LDB: ============= START OF LOAD BALANCING ============== 14097.7 LDB: ============== END OF LOAD BALANCING =============== 14097.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14097.7 LDB: ============= START OF LOAD BALANCING ============== 14098 LDB: Largest compute 7057 load 0.035779 is 18.3% of average load 0.196012 LDB: Average compute 0.004382 is 2.2% of average load 0.196012 LDB: TIME 14098 LOAD: AVG 0.196012 MAX 0.217044 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.18 MB LDB: TIME 14098 LOAD: AVG 0.196012 MAX 0.217044 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: TIME 14098 LOAD: AVG 0.196012 MAX 0.217044 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14098 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14098 PRESSURE: 4432400 273.131 -15.1097 11.5266 -15.1106 -154.829 213.469 11.5271 213.469 4.79568 GPRESSURE: 4432400 260.183 42.0845 -76.3409 -42.3223 -140.762 175.001 27.6817 266.202 82.2365 PRESSAVG: 4432400 1.04587 -36.0556 -0.579533 -36.0556 -30.0006 29.7956 -0.579559 29.7957 7.66949 GPRESSAVG: 4432400 0.687161 -36.0847 -1.738 -34.6325 -30.4159 31.0147 -0.433724 29.4619 8.39639 TIMING: 4432400 CPU: 14085.9, 0.00324678/step Wall: 14085.9, 0.00324678/step, 0.511909 hours remaining, 239.292969 MB of memory in use. ENERGY: 4432400 4029.6793 20608.7873 14362.6491 247.9581 -203480.2839 2905.9470 0.0000 0.0000 51876.7627 -109448.5005 298.1365 -161325.2632 -109095.3876 299.2486 41.0327 67.2190 762725.6590 -7.0951 -7.1108 PRESSURE: 4432600 -84.7762 11.337 -47.3453 11.3363 -284.903 -88.4456 -47.3462 -88.4453 140.878 GPRESSURE: 4432600 -62.3204 -57.5671 -35.8956 93.0257 -275.833 -74.1354 1.00808 -65.7209 176.78 PRESSAVG: 4432600 23.0582 -19.9597 21.3296 -19.9598 29.0755 10.6101 21.3296 10.61 -16.9855 GPRESSAVG: 4432600 24.2326 -19.57 22.111 -22.2428 27.7103 10.0496 22.1083 11.4974 -17.3298 TIMING: 4432600 CPU: 14086.5, 0.00317611/step Wall: 14086.5, 0.00317611/step, 0.500591 hours remaining, 239.359375 MB of memory in use. ENERGY: 4432600 4048.0896 20733.0814 14511.6620 246.8731 -203371.8012 2478.5122 0.0000 0.0000 52024.9714 -109328.6115 298.9882 -161353.5829 -108969.7352 299.3887 -76.2671 -53.7910 761251.5997 11.7161 11.5377 PRESSURE: 4432800 -44.5644 37.0523 83.7855 37.0523 -107.644 45.5839 83.7847 45.5844 105.457 GPRESSURE: 4432800 -21.3615 54.6013 92.6578 118.826 -75.3606 41.2369 260.227 5.56543 121.425 PRESSAVG: 4432800 -18.2294 -41.9288 -18.4973 -41.9287 -2.86011 22.3143 -18.4973 22.3144 2.14574 GPRESSAVG: 4432800 -18.2116 -40.463 -18.142 -41.0897 -0.474467 21.0108 -19.6347 24.9118 0.51554 TIMING: 4432800 CPU: 14087.2, 0.00314386/step Wall: 14087.2, 0.00314386/step, 0.495333 hours remaining, 239.359375 MB of memory in use. ENERGY: 4432800 4040.8383 20478.9227 14470.6682 248.5943 -203211.2533 2568.7934 0.0000 0.0000 51915.1145 -109488.3221 298.3569 -161403.4366 -109128.4918 299.7223 -15.5837 8.2344 761267.7501 -6.3146 -6.0569 PRESSURE: 4433000 -28.1245 136.217 -99.6329 136.218 32.252 29.6418 -99.6334 29.6421 78.9216 GPRESSURE: 4433000 -44.2518 138.675 -1.65614 -119.484 41.6838 -83.8509 -159.573 67.12 182.718 PRESSAVG: 4433000 -12.861 -40.1772 27.0171 -40.1771 6.51588 52.8254 27.017 52.8255 -8.52783 GPRESSAVG: 4433000 -13.4385 -40.4196 25.912 -42.4283 4.69869 53.7533 27.0756 50.9901 -6.18688 TIMING: 4433000 CPU: 14087.8, 0.00315691/step Wall: 14087.8, 0.00315691/step, 0.497213 hours remaining, 239.359375 MB of memory in use. ENERGY: 4433000 3888.3114 20411.3158 14374.5461 254.3814 -202890.0797 2275.8844 0.0000 0.0000 52132.4831 -109553.1574 299.6061 -161685.6405 -109190.7762 298.7878 27.6830 60.0500 762128.1224 -4.9577 -4.9756 PRESSURE: 4433200 93.84 41.8657 -45.7469 41.8653 46.7466 -104.938 -45.7468 -104.938 203.681 GPRESSURE: 4433200 72.9783 42.8936 -25.6553 -9.17885 93.4113 13.0846 -108.849 -113.413 279.238 PRESSAVG: 4433200 39.496 -10.0649 -19.2296 -10.065 -26.6362 58.4976 -19.2296 58.4976 4.51014 GPRESSAVG: 4433200 39.9725 -12.0413 -18.5356 -7.38372 -25.6425 59.2937 -19.0882 57.1337 2.47107 TIMING: 4433200 CPU: 14088.4, 0.00315633/step Wall: 14088.4, 0.00315633/step, 0.496947 hours remaining, 239.359375 MB of memory in use. ENERGY: 4433200 3939.3488 20447.0168 14390.4352 250.3816 -203403.6691 2501.8728 0.0000 0.0000 52356.1963 -109518.4176 300.8918 -161874.6139 -109165.3095 298.5829 114.7560 148.5424 761520.8796 5.7900 5.6003 PRESSURE: 4433400 -362.407 -13.3899 -238.544 -13.3904 -269.104 -138.687 -238.545 -138.687 -185.183 GPRESSURE: 4433400 -204.308 -37.6777 -199.581 53.8422 -364.648 -154.836 -252.036 -272.856 -175.02 PRESSAVG: 4433400 47.9496 -10.42 -67.073 -10.42 -74.8178 -45.5821 -67.0731 -45.5821 11.7578 GPRESSAVG: 4433400 47.9255 -8.9083 -67.1724 -13.1854 -74.842 -45.8824 -67.015 -44.5964 12.165 TIMING: 4433400 CPU: 14089.1, 0.00314485/step Wall: 14089.1, 0.00314485/step, 0.494964 hours remaining, 239.359375 MB of memory in use. ENERGY: 4433400 4054.2408 20482.0605 14412.4372 213.2585 -203047.8789 2348.5166 0.0000 0.0000 51942.8461 -109594.5193 298.5163 -161537.3653 -109228.0451 298.8839 -272.2315 -247.9921 761194.6643 -5.0368 -4.9172 PRESSURE: 4433600 91.0728 69.8515 -166.494 69.8517 -69.942 -23.0112 -166.494 -23.0111 7.39383 GPRESSURE: 4433600 134.611 -11.5549 -171.616 119.73 -86.1818 0.657154 -87.7709 -5.80094 50.4165 PRESSAVG: 4433600 80.3556 -54.2449 13.4006 -54.245 -88.5411 3.97189 13.4005 3.97195 -3.33494 GPRESSAVG: 4433600 79.8552 -55.2404 14.4061 -53.1412 -88.4828 5.01064 11.3598 2.63772 -2.73037 TIMING: 4433600 CPU: 14089.7, 0.00315437/step Wall: 14089.7, 0.00315437/step, 0.496287 hours remaining, 239.359375 MB of memory in use. ENERGY: 4433600 4044.0142 20606.1673 14445.5652 234.7375 -203448.7249 2747.2536 0.0000 0.0000 51848.0352 -109522.9517 297.9714 -161370.9869 -109163.4855 298.7468 9.5082 32.9486 761366.1669 -3.8402 -3.7860 PRESSURE: 4433800 -25.6135 -136.591 -140.568 -136.591 122.799 -169.316 -140.568 -169.314 217.767 GPRESSURE: 4433800 46.3079 -175.079 -132.743 -68.3667 145.403 -115.602 -71.9606 -205.335 220.015 PRESSAVG: 4433800 27.8915 -16.7998 -25.9818 -16.7998 -5.52993 22.2825 -25.9819 22.2825 9.06205 GPRESSAVG: 4433800 29.3859 -14.3025 -27.4381 -17.1205 -6.07249 20.8894 -23.0011 21.9203 8.62612 TIMING: 4433800 CPU: 14090.3, 0.00315581/step Wall: 14090.3, 0.00315581/step, 0.496339 hours remaining, 239.359375 MB of memory in use. ENERGY: 4433800 3973.2107 20443.2914 14369.1728 243.8109 -203165.6956 2437.9744 0.0000 0.0000 51962.7646 -109735.4707 298.6307 -161698.2352 -109391.1835 299.4874 104.9843 137.2423 760392.8346 10.4745 10.6465 PRESSURE: 4434000 47.711 48.4968 -5.26272 48.4969 -186.217 -77.6788 -5.26341 -77.6778 -96.2851 GPRESSURE: 4434000 22.3054 90.0282 42.4666 11.6367 -133.497 -99.9371 -81.2871 -105.983 -36.3152 PRESSAVG: 4434000 -31.612 20.7943 -55.3802 20.7943 9.62965 2.12963 -55.3802 2.12964 10.1906 GPRESSAVG: 4434000 -32.3797 19.3283 -53.8681 22.3788 11.1852 2.91035 -57.7517 4.30469 9.48757 TIMING: 4434000 CPU: 14091, 0.00314382/step Wall: 14091, 0.00314382/step, 0.494279 hours remaining, 239.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4434000 3960.7640 20535.6848 14364.8546 228.1420 -203464.3966 2596.6096 0.0000 0.0000 51890.7259 -109887.6156 298.2167 -161778.3415 -109530.3891 298.1664 -78.2638 -49.1689 759674.1015 -3.9306 -3.9023 PRESSURE: 4434200 -345.327 -199.159 -5.7374 -199.159 -2.06766 -7.42754 -5.73758 -7.42708 -102.314 GPRESSURE: 4434200 -294.244 -179.891 29.8395 -136.176 60.8267 -112.156 -15.2722 126.165 -135.312 PRESSAVG: 4434200 21.8773 -79.7702 -12.2892 -79.7702 -19.056 7.54771 -12.2893 7.54767 15.3003 GPRESSAVG: 4434200 21.0367 -77.945 -11.1783 -80.7965 -19.8173 8.34259 -12.6087 7.17141 16.2496 TIMING: 4434200 CPU: 14091.6, 0.0031409/step Wall: 14091.6, 0.0031409/step, 0.493645 hours remaining, 239.359375 MB of memory in use. ENERGY: 4434200 4117.0514 20460.1047 14544.4867 246.2730 -203802.2580 2774.2698 0.0000 0.0000 51732.3655 -109927.7070 297.3066 -161660.0725 -109569.0678 298.1375 -149.9029 -122.9097 760380.4265 6.0405 5.8230 PRESSURE: 4434400 -309.329 60.595 -197.607 60.5936 -232.588 146.775 -197.608 146.774 -263.606 GPRESSURE: 4434400 -254.359 144.689 -209.226 -21.61 -219.64 197.913 -121.215 176.162 -238.496 PRESSAVG: 4434400 -28.5456 -48.0242 16.9895 -48.0242 15.3903 -10.1502 16.9895 -10.1503 -12.1426 GPRESSAVG: 4434400 -27.0715 -47.7194 16.8321 -49.3698 15.0707 -11.5194 18.0871 -10.8749 -12.9556 TIMING: 4434400 CPU: 14092.2, 0.00316233/step Wall: 14092.2, 0.00316233/step, 0.496837 hours remaining, 239.359375 MB of memory in use. ENERGY: 4434400 4010.4301 20493.7536 14371.0308 258.5858 -203535.3309 2439.5293 0.0000 0.0000 51944.3829 -110017.6183 298.5251 -161962.0012 -109669.9320 298.0689 -268.5078 -237.4986 760658.5139 -8.4327 -8.3188 PRESSURE: 4434600 -135.499 -50.4374 -162.953 -50.4374 -144.807 -120.636 -162.952 -120.637 -305.937 GPRESSURE: 4434600 -107.439 -91.3162 -122.762 -189.449 -182.836 -136.155 -45.3483 -126.057 -218.05 PRESSAVG: 4434600 21.738 -70.431 -6.31756 -70.431 -25.4821 13.56 -6.31758 13.56 -10.2975 GPRESSAVG: 4434600 19.485 -72.7965 -4.81033 -70.5047 -24.5462 12.4251 -7.23179 14.9267 -8.92636 TIMING: 4434600 CPU: 14092.9, 0.00318668/step Wall: 14092.9, 0.00318668/step, 0.500486 hours remaining, 239.359375 MB of memory in use. ENERGY: 4434600 3960.7621 20294.6236 14441.5249 241.0388 -203160.9584 2454.5511 0.0000 0.0000 51976.2372 -109792.2207 298.7081 -161768.4579 -109429.1864 298.1609 -195.4144 -169.4415 760850.9724 -4.6805 -4.6625 PRESSURE: 4434800 -156.849 4.54895 -19.9428 4.54842 -209.189 14.6981 -19.9427 14.6969 -374.877 GPRESSURE: 4434800 -114.048 -102.621 -38.5925 -90.6981 -171.748 -58.2493 -1.35789 64.8776 -364.556 PRESSAVG: 4434800 52.5416 -47.5389 -3.56138 -47.5389 -33.4727 -4.49138 -3.56133 -4.49143 -17.0902 GPRESSAVG: 4434800 53.7079 -43.9796 -4.94932 -48.228 -34.6559 -3.87201 -4.20399 -3.8086 -16.8475 TIMING: 4434800 CPU: 14093.5, 0.00316304/step Wall: 14093.5, 0.00316304/step, 0.496597 hours remaining, 239.359375 MB of memory in use. ENERGY: 4434800 3916.2568 20424.4346 14454.4145 236.3309 -203177.6891 2139.1093 0.0000 0.0000 51879.8266 -110127.3164 298.1541 -162007.1430 -109761.6813 298.1921 -246.9716 -216.7837 759505.4564 0.6596 0.7348 PRESSURE: 4435000 -222.527 -279.217 125.287 -279.217 -170.792 -9.81257 125.288 -9.81244 3.21961 GPRESSURE: 4435000 -195.985 -243.548 88.0202 -332.845 -115.909 100.662 107.33 5.8807 4.28115 PRESSAVG: 4435000 47.5031 -87.0401 46.9743 -87.0402 -50.7378 -18.7503 46.9743 -18.7503 6.0028 GPRESSAVG: 4435000 48.0983 -90.4082 45.7613 -86.3908 -49.5787 -18.7275 47.2898 -20.015 5.06566 TIMING: 4435000 CPU: 14094.1, 0.00315223/step Wall: 14094.1, 0.00315223/step, 0.494725 hours remaining, 239.359375 MB of memory in use. ENERGY: 4435000 3943.5019 20627.3378 14469.4160 240.3814 -203171.3769 2185.6294 0.0000 0.0000 51869.8944 -109835.2159 298.0970 -161705.1104 -109479.3417 298.0299 -130.0331 -102.5376 761105.6255 0.9227 1.1951 PRESSURE: 4435200 -54.0003 69.652 -81.7543 69.6517 31.5879 131.355 -81.7542 131.355 338.948 GPRESSURE: 4435200 -56.0818 34.9789 50.0302 -9.87606 1.58027 41.6799 23.5922 41.4561 440.993 PRESSAVG: 4435200 -20.7821 -61.1795 -15.1759 -61.1795 -10.2435 8.1388 -15.1759 8.13872 26.068 GPRESSAVG: 4435200 -21.4994 -60.2724 -14.75 -60.1214 -10.6965 8.09385 -13.5652 7.86344 27.0228 TIMING: 4435200 CPU: 14094.7, 0.0031442/step Wall: 14094.7, 0.0031442/step, 0.49329 hours remaining, 239.359375 MB of memory in use. ENERGY: 4435200 3915.7614 20548.8445 14447.2803 240.4924 -203405.4721 2348.9743 0.0000 0.0000 51949.6731 -109954.4461 298.5555 -161904.1192 -109601.9362 298.2045 105.5118 128.8305 760447.6848 -1.6525 -1.7244 PRESSURE: 4435400 217.484 1.60106 52.3643 1.60177 -332.078 -32.6594 52.3648 -32.659 -60.9339 GPRESSURE: 4435400 206.132 -30.3724 35.498 -104.154 -222.012 -23.6064 101.741 -116.579 -65.0564 PRESSAVG: 4435400 -48.0427 -37.3411 7.03831 -37.3411 74.4233 3.81079 7.03833 3.81074 7.32217 GPRESSAVG: 4435400 -47.6805 -36.4667 7.10166 -38.7312 73.7964 3.39965 6.74305 4.93812 7.61717 TIMING: 4435400 CPU: 14095.4, 0.00314597/step Wall: 14095.4, 0.00314597/step, 0.493392 hours remaining, 239.359375 MB of memory in use. ENERGY: 4435400 3972.9880 20485.4518 14420.7667 254.2362 -203608.6059 2433.0326 0.0000 0.0000 52047.6646 -109994.4660 299.1186 -162042.1306 -109619.5079 298.7668 -58.5092 -26.9788 759302.1082 11.2342 11.2444 PRESSURE: 4435600 32.1332 230.277 73.424 230.277 -260.458 -37.6643 73.4233 -37.6648 19.495 GPRESSURE: 4435600 23.0539 276.328 61.2135 145.73 -232.191 -2.71604 9.66089 -34.3706 96.365 PRESSAVG: 4435600 -29.6181 -81.8341 41.9088 -81.8341 57.0054 24.4964 41.9089 24.4964 3.98146 GPRESSAVG: 4435600 -28.7733 -82.8297 41.5526 -81.8935 57.4833 25.765 40.3011 21.8269 3.15137 TIMING: 4435600 CPU: 14096, 0.00315554/step Wall: 14096, 0.00315554/step, 0.494719 hours remaining, 239.359375 MB of memory in use. ENERGY: 4435600 3967.1484 20412.3189 14434.9417 270.6053 -203679.8442 2536.4749 0.0000 0.0000 51991.9750 -110066.3799 298.7986 -162058.3550 -109710.7756 298.7723 -69.6101 -37.5907 759960.1864 10.4563 10.6205 PRESSURE: 4435800 -117.189 145.077 89.8928 145.077 99.8321 80.2708 89.8929 80.2706 -107.785 GPRESSURE: 4435800 1.91002 104.398 61.2713 157.577 113.278 134.122 105.523 47.3274 -165.268 PRESSAVG: 4435800 -18.372 -19.3359 -22.399 -19.336 43.3085 -17.1434 -22.3991 -17.1434 -7.59504 GPRESSAVG: 4435800 -18.7588 -19.7426 -20.2124 -19.8596 43.7086 -17.9027 -20.5408 -16.0248 -7.45906 TIMING: 4435800 CPU: 14096.6, 0.00317036/step Wall: 14096.6, 0.00317036/step, 0.496866 hours remaining, 239.359375 MB of memory in use. ENERGY: 4435800 4014.6695 20451.4107 14463.6744 252.2546 -203548.2222 2495.8870 0.0000 0.0000 51924.1894 -109946.1364 298.4090 -161870.3259 -109582.8130 298.2047 -41.7139 -16.6933 759811.9801 5.7805 5.8302 PRESSURE: 4436000 -100.832 62.1741 58.7879 62.1736 161.071 119.483 58.7879 119.484 32.0178 GPRESSURE: 4436000 -62.7575 129.169 97.5848 151.487 228.959 91.55 27.1077 115.992 16.0062 PRESSAVG: 4436000 0.974923 -3.24626 51.9575 -3.24628 -8.21218 33.8521 51.9575 33.8521 -22.5765 GPRESSAVG: 4436000 2.10232 -4.70048 50.6238 -1.80074 -7.65286 33.653 51.5686 34.0317 -23.6252 TIMING: 4436000 CPU: 14097.3, 0.0031747/step Wall: 14097.3, 0.0031747/step, 0.497369 hours remaining, 239.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4436000 3955.5600 20407.1860 14444.1738 252.4519 -203660.2356 2583.8648 0.0000 0.0000 52098.3866 -109918.6125 299.4101 -162016.9991 -109552.9046 298.2478 30.7522 60.7359 759590.3021 -9.9379 -9.7252 PRESSURE: 4436200 -281.211 -9.63488 -85.8642 -9.63607 37.7304 -380.521 -85.8648 -380.521 80.8083 GPRESSURE: 4436200 -165.233 -40.6256 -10.9348 -68.3287 52.1329 -344.173 -98.8258 -416.778 59.9267 PRESSAVG: 4436200 -10.9831 -25.1514 6.82488 -25.1515 14.3278 47.6906 6.82488 47.6906 9.63744 GPRESSAVG: 4436200 -10.9521 -21.0111 6.59062 -25.8396 14.0016 49.0662 5.95514 48.3819 10.995 TIMING: 4436200 CPU: 14097.9, 0.00318019/step Wall: 14097.9, 0.00318019/step, 0.498053 hours remaining, 239.359375 MB of memory in use. ENERGY: 4436200 4008.8232 20412.5390 14392.0771 229.2771 -203456.9014 2539.8251 0.0000 0.0000 51780.1088 -110094.2511 297.5810 -161874.3599 -109737.4025 298.4413 -54.2240 -17.7245 759440.9890 4.3274 4.6815 LDB: ============= START OF LOAD BALANCING ============== 14110.3 LDB: ============== END OF LOAD BALANCING =============== 14110.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14110.3 LDB: ============= START OF LOAD BALANCING ============== 14110.6 LDB: Largest compute 7049 load 0.035660 is 18.2% of average load 0.195981 LDB: Average compute 0.004392 is 2.2% of average load 0.195981 LDB: TIME 14110.6 LOAD: AVG 0.195981 MAX 0.217585 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.332 MB LDB: TIME 14110.6 LOAD: AVG 0.195981 MAX 0.217585 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.535 MB LDB: TIME 14110.6 LOAD: AVG 0.195981 MAX 0.217585 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.535 MB LDB: ============== END OF LOAD BALANCING =============== 14110.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14110.6 PRESSURE: 4436400 47.4997 18.0312 161.89 18.0314 -179.108 -64.1873 161.889 -64.1852 100.649 GPRESSURE: 4436400 118.079 11.2236 86.8464 59.1742 -152.547 -8.75919 141.259 -98.6595 90.2707 PRESSAVG: 4436400 -17.1087 -36.7037 5.87055 -36.7037 -2.8264 23.4386 5.87059 23.4387 -15.2453 GPRESSAVG: 4436400 -16.5512 -38.7033 4.31395 -36.5522 -3.32211 21.9309 6.55951 22.7002 -15.5055 TIMING: 4436400 CPU: 14098.6, 0.00324255/step Wall: 14098.6, 0.00324256/step, 0.50764 hours remaining, 238.722656 MB of memory in use. ENERGY: 4436400 4028.5528 20355.8809 14418.4658 243.2114 -203929.7323 2859.7092 0.0000 0.0000 52068.9953 -109954.9170 299.2412 -162023.9123 -109596.7090 298.2504 -10.3197 18.6006 760320.7389 -11.7268 -11.7929 PRESSURE: 4436600 316.896 1.01797 -3.08826 1.01729 86.4573 -149.843 -3.08775 -149.843 -71.9757 GPRESSURE: 4436600 309.591 -12.4041 -48.5837 -57.9267 63.9615 -106.227 -6.78267 -193.812 60.7464 PRESSAVG: 4436600 46.5501 -30.5312 -25.4599 -30.5312 -20.3852 -65.9378 -25.4598 -65.9378 14.1715 GPRESSAVG: 4436600 46.188 -29.9293 -26.4674 -29.8886 -19.776 -63.9409 -25.2754 -66.8791 14.3437 TIMING: 4436600 CPU: 14099.2, 0.00317791/step Wall: 14099.2, 0.00317791/step, 0.497343 hours remaining, 238.722656 MB of memory in use. ENERGY: 4436600 4005.9586 20539.9647 14376.0077 244.9097 -203604.9917 2543.3191 0.0000 0.0000 52052.2321 -109842.5997 299.1449 -161894.8318 -109483.4899 298.7865 110.4593 144.7663 759457.0401 13.4455 13.5852 PRESSURE: 4436800 -238.848 -103.713 -49.2409 -103.713 -35.9695 152.25 -49.2408 152.251 334.407 GPRESSURE: 4436800 -188.78 -36.5495 -48.0044 -140.337 2.91059 55.3176 -21.511 292.745 326.112 PRESSAVG: 4436800 24.7638 -42.5283 9.24898 -42.5284 -66.3839 6.81974 9.2489 6.81975 25.1714 GPRESSAVG: 4436800 24.3838 -42.9995 10.6767 -43.2838 -66.3001 4.6658 11.3189 8.39451 25.1122 TIMING: 4436800 CPU: 14099.8, 0.00316739/step Wall: 14099.8, 0.00316739/step, 0.49552 hours remaining, 238.722656 MB of memory in use. ENERGY: 4436800 3909.0790 20576.8190 14447.6816 240.9731 -203174.0113 2231.9504 0.0000 0.0000 51918.1078 -109849.4003 298.3741 -161767.5081 -109484.1036 298.6137 19.8632 46.7474 760416.6401 -5.4829 -5.6014 PRESSURE: 4437000 132.096 -59.9595 -36.7797 -59.9594 -36.5257 -70.9568 -36.7789 -70.9565 -140.28 GPRESSURE: 4437000 89.9859 -16.7883 71.8612 49.9937 65.7149 -0.588795 -0.882114 -65.5365 -132.637 PRESSAVG: 4437000 61.503 -25.3756 35.1346 -25.3756 -96.5406 36.4466 35.1345 36.4466 -30.9672 GPRESSAVG: 4437000 61.6564 -25.8841 35.574 -24.1475 -96.212 37.4693 33.3663 37.9473 -31.9039 TIMING: 4437000 CPU: 14100.5, 0.00316055/step Wall: 14100.5, 0.00316055/step, 0.494275 hours remaining, 238.722656 MB of memory in use. ENERGY: 4437000 3926.7104 20677.3921 14439.7077 242.6166 -203755.9659 2684.3765 0.0000 0.0000 51836.5707 -109948.5919 297.9055 -161785.1625 -109589.4031 298.5677 -14.9033 7.6878 759979.9047 -22.0016 -22.1532 PRESSURE: 4437200 155.608 45.1302 -46.5793 45.1297 -350.779 130.693 -46.5791 130.692 47.9868 GPRESSURE: 4437200 152.872 42.9817 -123.342 -3.20698 -308.801 137.276 -130.655 61.604 93.0642 PRESSAVG: 4437200 -18.2617 -43.6117 -21.6597 -43.6116 -40.7135 24.7866 -21.6598 24.7867 -2.3485 GPRESSAVG: 4437200 -20.3923 -42.8352 -21.0428 -43.184 -39.472 25.2704 -22.559 20.4142 -1.07342 TIMING: 4437200 CPU: 14101.1, 0.00315689/step Wall: 14101.1, 0.00315689/step, 0.493527 hours remaining, 238.722656 MB of memory in use. ENERGY: 4437200 3990.3300 20339.4206 14427.3662 267.7615 -203560.7002 2613.5514 0.0000 0.0000 51873.5187 -110048.7520 298.1178 -161922.2707 -109689.2923 298.1387 -49.0613 -20.9550 760538.7687 -20.4412 -20.3126 PRESSURE: 4437400 89.2831 -146.164 -2.36989 -146.164 73.5358 23.4717 -2.37063 23.4715 363.233 GPRESSURE: 4437400 173.091 -46.2233 61.8614 -240.721 45.9643 130.413 10.6342 -9.00199 397.428 PRESSAVG: 4437400 61.1325 -74.8975 -34.7975 -74.8974 -6.51417 84.9153 -34.7975 84.9153 9.55447 GPRESSAVG: 4437400 63.0639 -76.5099 -34.6162 -75.2551 -7.8301 84.5289 -34.2219 85.5924 8.93466 TIMING: 4437400 CPU: 14101.7, 0.0031607/step Wall: 14101.7, 0.0031607/step, 0.493947 hours remaining, 238.722656 MB of memory in use. ENERGY: 4437400 3934.8644 20503.7622 14318.8807 260.4592 -203452.1217 2677.9395 0.0000 0.0000 51614.1404 -110142.0753 296.6272 -161756.2158 -109794.1062 297.3878 175.3506 205.4946 760049.4400 21.3909 21.3895 PRESSURE: 4437600 307.012 47.86 -249.333 47.8604 354.008 -170.461 -249.332 -170.461 678.294 GPRESSURE: 4437600 453.479 70.6633 -223.283 -1.876 398.575 -108.446 -261.832 -163.234 578.189 PRESSAVG: 4437600 -16.801 -1.48439 -6.42805 -1.48439 -10.0888 -4.77465 -6.42807 -4.77451 -21.1907 GPRESSAVG: 4437600 -15.9471 -0.7554 -7.67219 -2.46487 -10.3492 -5.91489 -5.41285 -2.31472 -21.5161 TIMING: 4437600 CPU: 14102.4, 0.00316894/step Wall: 14102.4, 0.00316894/step, 0.495058 hours remaining, 238.722656 MB of memory in use. ENERGY: 4437600 3874.3815 20315.0783 14451.7555 240.2502 -203635.1703 2715.2364 0.0000 0.0000 52075.2149 -109963.2536 299.2770 -162038.4685 -109600.2540 297.9176 446.4378 476.7476 759776.4319 -16.0268 -15.9375 PRESSURE: 4437800 347.698 171.115 82.5808 171.117 -10.8453 49.4491 82.5804 49.4485 291.009 GPRESSURE: 4437800 354.036 82.3337 106.546 83.7487 48.5716 64.02 117.252 -4.32213 298.111 PRESSAVG: 4437800 12.2974 -2.66184 -28.2868 -2.66195 -31.1649 52.3712 -28.2868 52.3712 31.3264 GPRESSAVG: 4437800 11.1314 -0.479593 -27.814 -2.28304 -31.512 54.1571 -30.3117 50.5736 32.9039 TIMING: 4437800 CPU: 14103, 0.00316385/step Wall: 14103, 0.00316385/step, 0.494088 hours remaining, 238.722656 MB of memory in use. ENERGY: 4437800 3918.7086 20291.7583 14430.7712 234.6218 -203208.1180 2477.7731 0.0000 0.0000 51854.9292 -109999.5559 298.0110 -161854.4850 -109640.3633 298.1391 209.2871 233.5726 760246.5128 4.1530 4.1744 PRESSURE: 4438000 -48.1979 24.7465 70.6617 24.747 -234.478 131.866 70.6609 131.866 181.558 GPRESSURE: 4438000 40.7149 29.914 45.5133 -20.8291 -154.895 117.722 -8.37079 94.8088 104.247 PRESSAVG: 4438000 63.6311 22.7715 -5.42668 22.7715 -88.5174 5.12771 -5.42677 5.12781 -5.00006 GPRESSAVG: 4438000 64.5215 22.3693 -3.94158 22.0525 -87.8534 4.5033 -6.72252 4.75264 -6.16373 TIMING: 4438000 CPU: 14103.6, 0.00315807/step Wall: 14103.6, 0.00315807/step, 0.493009 hours remaining, 238.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 3967.2966 20595.3943 14424.4155 250.2102 -203546.0063 2616.6605 0.0000 0.0000 51610.4181 -110081.6111 296.6058 -161692.0292 -109730.1038 297.7902 -33.7057 -3.3110 761054.2987 -9.9621 -9.8319 PRESSURE: 4438200 78.3061 -27.0529 -224.92 -27.0537 127.536 -28.799 -224.92 -28.7989 -118.091 GPRESSURE: 4438200 121.324 -65.7671 -121.405 19.4772 138.805 -15.4926 -209.584 -44.3489 -80.8793 PRESSAVG: 4438200 40.327 -18.8501 15.9 -18.8502 -1.18269 -1.09072 15.9 -1.09069 11.1468 GPRESSAVG: 4438200 40.4719 -22.3563 15.3796 -17.4038 -2.43739 -0.857438 15.9989 -0.992744 11.6493 TIMING: 4438200 CPU: 14104.3, 0.00317196/step Wall: 14104.3, 0.00317196/step, 0.495001 hours remaining, 238.722656 MB of memory in use. ENERGY: 4438200 3999.0305 20451.3258 14338.0928 226.3200 -203852.7983 2697.2299 0.0000 0.0000 51926.2422 -110214.5571 298.4208 -162140.7993 -109846.5463 298.1795 29.2504 59.7497 759617.1857 16.7637 16.5613 PRESSURE: 4438400 -78.4426 -95.5266 234.446 -95.5269 -325.944 122.824 234.445 122.823 -105.71 GPRESSURE: 4438400 -109.168 76.3823 160.732 -15.8774 -231.743 47.5513 227.339 250.638 -60.6356 PRESSAVG: 4438400 -9.53648 -39.2338 16.2595 -39.2337 -17.7043 -22.8307 16.2595 -22.8307 -1.89147 GPRESSAVG: 4438400 -9.29549 -37.4391 16.6314 -39.9582 -17.8339 -24.1019 16.7272 -21.2152 -2.08882 TIMING: 4438400 CPU: 14104.9, 0.00315285/step Wall: 14104.9, 0.00315285/step, 0.491844 hours remaining, 238.722656 MB of memory in use. ENERGY: 4438400 3951.9379 20658.8870 14418.6287 237.8393 -203493.5470 2316.2385 0.0000 0.0000 51642.5963 -110267.4193 296.7907 -161910.0156 -109908.8906 297.8709 -170.0321 -133.8489 759767.1439 -9.7107 -9.7394 PRESSURE: 4438600 484.838 -105.556 -104.732 -105.555 120.759 -132.761 -104.731 -132.761 168.591 GPRESSURE: 4438600 461.078 36.014 -109.567 -105.025 224.72 -133.161 -172.001 -120.963 173.544 PRESSAVG: 4438600 59.2657 -45.605 -26.4999 -45.6049 -9.99781 -24.5192 -26.4999 -24.5192 17.6549 GPRESSAVG: 4438600 58.8615 -44.4179 -25.8882 -43.4541 -8.8035 -23.0952 -26.759 -25.6631 16.8556 TIMING: 4438600 CPU: 14105.5, 0.00317155/step Wall: 14105.5, 0.00317155/step, 0.494586 hours remaining, 238.722656 MB of memory in use. ENERGY: 4438600 3943.0688 20545.0717 14379.3870 239.7963 -204210.5298 2785.3022 0.0000 0.0000 51637.1516 -110680.7524 296.7594 -162317.9040 -110317.9525 297.5765 258.0625 286.4475 759988.7727 22.3076 22.3045 PRESSURE: 4438800 105.167 -12.7194 -229.266 -12.7198 54.4532 -204.53 -229.267 -204.53 -243.209 GPRESSURE: 4438800 24.6481 -38.788 -195.084 -69.83 183.914 -229.425 -299.086 -119.883 -203.322 PRESSAVG: 4438800 -1.29326 -27.1213 -19.5672 -27.1213 11.6023 -37.9967 -19.5672 -37.9967 -1.45012 GPRESSAVG: 4438800 -0.670131 -27.6674 -19.6681 -30.2957 11.118 -37.8111 -21.1751 -38.1916 -1.07764 TIMING: 4438800 CPU: 14106.2, 0.00320291/step Wall: 14106.2, 0.00320291/step, 0.499298 hours remaining, 238.722656 MB of memory in use. ENERGY: 4438800 3987.8972 20383.0750 14426.4462 229.6047 -203833.6161 2627.2072 0.0000 0.0000 51870.1390 -110309.2468 298.0984 -162179.3858 -109946.4786 297.7673 -27.8629 1.7466 760839.2824 2.9530 3.1234 PRESSURE: 4439000 194.011 -247.603 10.508 -247.602 105.341 51.7141 10.5086 51.7152 60.6633 GPRESSURE: 4439000 224.17 -12.2851 31.0209 -92.0349 154.179 39.9566 -57.9748 54.6674 72.0531 PRESSAVG: 4439000 60.8768 -27.436 -35.4112 -27.436 4.5851 22.8978 -35.4112 22.8979 8.80751 GPRESSAVG: 4439000 61.0144 -28.4896 -36.0642 -24.9209 4.7023 22.0095 -32.5683 23.56 8.52523 TIMING: 4439000 CPU: 14106.8, 0.00318169/step Wall: 14106.8, 0.00318169/step, 0.495814 hours remaining, 238.722656 MB of memory in use. ENERGY: 4439000 4057.5254 20547.1450 14419.5654 234.4659 -203789.8574 2625.3117 0.0000 0.0000 51899.2410 -110006.6029 298.2657 -161905.8439 -109656.5024 297.7055 120.0053 150.1340 760181.5589 24.7565 24.7473 PRESSURE: 4439200 1.57638 -66.88 181.54 -66.8803 85.4485 76.7384 181.54 76.7382 15.0315 GPRESSURE: 4439200 -46.6553 -105.416 163.098 -59.2986 162.452 38.6078 81.5436 193.08 83.0342 PRESSAVG: 4439200 61.1454 -19.2975 -6.40657 -19.2975 -5.65771 109.006 -6.40658 109.006 -13.4314 GPRESSAVG: 4439200 60.686 -18.82 -5.62423 -21.3326 -6.66761 108.426 -8.18709 109.037 -12.6085 TIMING: 4439200 CPU: 14107.4, 0.00317438/step Wall: 14107.4, 0.00317438/step, 0.494498 hours remaining, 238.722656 MB of memory in use. ENERGY: 4439200 3977.1844 20333.4413 14458.0398 254.2129 -203806.8625 2514.0035 0.0000 0.0000 51886.5304 -110383.4502 298.1926 -162269.9805 -110019.2868 297.8885 34.0188 66.2771 760907.1581 14.0188 13.8033 PRESSURE: 4439400 -204.366 -183.26 9.38821 -183.261 -343.185 -19.5579 9.38883 -19.5592 204.385 GPRESSURE: 4439400 -159.885 -187.465 -34.9515 -201.172 -288.59 -14.6986 -40.6314 -147 198.357 PRESSAVG: 4439400 39.5323 -54.1404 -1.13344 -54.1404 -38.3582 41.6614 -1.13341 41.6614 20.7229 GPRESSAVG: 4439400 39.0185 -52.304 -2.75693 -55.5131 -36.9436 40.8959 -1.92968 43.3888 19.5813 TIMING: 4439400 CPU: 14108.1, 0.00318639/step Wall: 14108.1, 0.00318639/step, 0.496191 hours remaining, 238.722656 MB of memory in use. ENERGY: 4439400 3923.2827 20444.1902 14449.8660 251.5116 -203766.2235 2510.4742 0.0000 0.0000 51662.9536 -110523.9453 296.9077 -162186.8989 -110160.9102 297.1737 -114.3887 -83.3726 762371.7251 7.2990 7.2187 PRESSURE: 4439600 -30.9959 -279.169 -168.653 -279.169 268.945 77.2411 -168.653 77.242 -174.537 GPRESSURE: 4439600 2.34595 -152.34 -176.524 -278.856 303.485 134.432 -17.606 -31.9788 -151.019 PRESSAVG: 4439600 -28.5987 -12.4702 4.40859 -12.4702 0.956266 23.2048 4.40857 23.2048 -19.5156 GPRESSAVG: 4439600 -28.1855 -12.4973 4.79547 -10.8096 -0.0178603 23.2607 2.98917 21.5867 -19.1244 TIMING: 4439600 CPU: 14108.7, 0.00317371/step Wall: 14108.7, 0.00317371/step, 0.494041 hours remaining, 238.722656 MB of memory in use. ENERGY: 4439600 4026.7281 20267.9737 14424.7283 268.3121 -203677.2306 2613.6289 0.0000 0.0000 51844.2418 -110231.6177 297.9496 -162075.8595 -109879.0778 297.9163 21.1374 51.6040 760263.1672 -15.7193 -15.7759 PRESSURE: 4439800 -452.694 91.3095 -99.9788 91.3087 -106.457 -45.9967 -99.9789 -45.9968 69.63 GPRESSURE: 4439800 -465.019 114.953 -6.24471 124.654 -59.0793 -58.0256 -126.264 -21.2064 113.495 PRESSAVG: 4439800 -23.7173 26.4412 -8.40431 26.4412 11.0726 -47.2584 -8.40428 -47.2583 -2.22839 GPRESSAVG: 4439800 -24.6036 25.3085 -9.31705 25.7507 11.7642 -46.6366 -3.8641 -45.9281 -2.34079 TIMING: 4439800 CPU: 14109.3, 0.00318905/step Wall: 14109.3, 0.00318905/step, 0.496252 hours remaining, 238.722656 MB of memory in use. ENERGY: 4439800 4049.1546 20412.5093 14401.4789 253.1146 -203440.2330 2195.3770 0.0000 0.0000 51778.5762 -110350.0224 297.5722 -162128.5986 -109991.0371 297.8514 -163.1738 -136.8675 760317.2698 -4.9577 -5.0601 PRESSURE: 4440000 156.15 120.529 84.5404 120.529 -294.177 120.132 84.5406 120.132 99.1757 GPRESSURE: 4440000 208.73 154.818 44.8842 215.652 -224.978 143.268 2.03961 66.2817 69.7232 PRESSAVG: 4440000 -5.07205 57.263 -19.5519 57.263 20.3614 -1.27073 -19.5519 -1.27068 -30.1737 GPRESSAVG: 4440000 -4.45697 57.0893 -18.8815 57.8668 19.5602 -1.51594 -20.3941 -2.22406 -30.1338 TIMING: 4440000 CPU: 14110, 0.00315775/step Wall: 14110, 0.00315775/step, 0.491206 hours remaining, 238.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4440000 4000.8513 20438.8556 14352.6240 234.7534 -203849.3547 2671.2312 0.0000 0.0000 51808.0224 -110343.0168 297.7414 -162151.0392 -109977.9177 297.8014 -12.9503 17.8252 758819.4831 -4.9614 -5.0102 PRESSURE: 4440200 -85.6671 -232.918 24.1416 -232.919 44.706 109.957 24.1409 109.958 262.721 GPRESSURE: 4440200 -26.5224 -201.478 95.9428 -292.965 186.586 93.9849 133.252 141.068 167.185 PRESSAVG: 4440200 16.3237 62.0882 39.8619 62.0882 -4.59946 16.4803 39.8619 16.4803 -3.49986 GPRESSAVG: 4440200 16.234 61.242 39.4145 62.21 -3.94976 17.2711 40.9168 16.5636 -4.28663 TIMING: 4440200 CPU: 14110.6, 0.00314955/step Wall: 14110.6, 0.00314955/step, 0.489755 hours remaining, 238.722656 MB of memory in use. ENERGY: 4440200 3958.8097 20330.7055 14412.5200 231.8813 -203451.7906 2527.5529 0.0000 0.0000 51786.1141 -110204.2070 297.6155 -161990.3212 -109842.5447 297.3220 73.9198 109.0829 759675.8624 2.7415 2.6659 LDB: ============= START OF LOAD BALANCING ============== 14123 LDB: ============== END OF LOAD BALANCING =============== 14123 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14123 LDB: ============= START OF LOAD BALANCING ============== 14123.3 LDB: Largest compute 7049 load 0.035401 is 18.1% of average load 0.195928 LDB: Average compute 0.004379 is 2.2% of average load 0.195928 LDB: TIME 14123.3 LOAD: AVG 0.195928 MAX 0.223596 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.238 MB LDB: TIME 14123.3 LOAD: AVG 0.195928 MAX 0.223596 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.238 MB LDB: TIME 14123.3 LOAD: AVG 0.195928 MAX 0.223596 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14123.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14123.3 PRESSURE: 4440400 -67.9449 -84.7767 -78.6465 -84.7764 12.7363 -21.2769 -78.6463 -21.2768 -402.596 GPRESSURE: 4440400 -112.663 -84.6968 -134.739 -94.5567 7.68873 -57.2377 -151.046 6.14693 -269.153 PRESSAVG: 4440400 73.6348 -3.93226 28.2828 -3.9322 -41.2212 -12.5296 28.2827 -12.5297 16.8847 GPRESSAVG: 4440400 73.5732 -4.01348 29.1574 -4.39565 -42.8555 -12.5706 25.8266 -10.7518 18.3772 TIMING: 4440400 CPU: 14111.3, 0.00324241/step Wall: 14111.3, 0.00324242/step, 0.504015 hours remaining, 237.496094 MB of memory in use. ENERGY: 4440400 3990.4584 20369.2985 14479.1266 251.5065 -203793.9695 2684.0671 0.0000 0.0000 51908.4051 -110111.1074 298.3183 -162019.5125 -109749.7795 297.5576 -152.6013 -124.7090 760037.0762 16.4328 16.3650 PRESSURE: 4440600 -25.6264 -23.8377 -91.2985 -23.8376 -129.881 -4.41283 -91.2988 -4.41359 -45.4827 GPRESSURE: 4440600 7.69579 -25.5878 -113.188 -120.167 -105.761 -39.6449 -115.265 39.8672 -29.2431 PRESSAVG: 4440600 -13.7687 -47.5452 -9.30141 -47.5452 6.20711 -26.8609 -9.30138 -26.8609 -9.43634 GPRESSAVG: 4440600 -13.1248 -46.0369 -8.84661 -46.6908 6.90655 -27.7863 -8.19011 -29.8078 -10.5242 TIMING: 4440600 CPU: 14111.9, 0.00313632/step Wall: 14111.9, 0.00313632/step, 0.487349 hours remaining, 237.496094 MB of memory in use. ENERGY: 4440600 3937.7555 20500.3251 14432.3495 256.6620 -203139.2462 2425.6353 0.0000 0.0000 51920.8083 -109665.7106 298.3896 -161586.5189 -109312.5225 298.3150 -66.9966 -42.4361 762027.3608 -5.6660 -5.5808 PRESSURE: 4440800 -127.983 -82.6952 55.0665 -82.6955 84.5041 -1.54126 55.0667 -1.54094 130.808 GPRESSURE: 4440800 -77.5799 -34.6458 49.5889 -22.6633 115.139 76.2162 14.7821 104.643 150.975 PRESSAVG: 4440800 25.1685 10.2141 25.3565 10.2141 -8.95453 -5.42071 25.3565 -5.42064 3.51718 GPRESSAVG: 4440800 26.384 7.51686 25.2475 9.93339 -9.859 -5.24331 24.4776 -2.87482 2.58993 TIMING: 4440800 CPU: 14112.5, 0.00316215/step Wall: 14112.5, 0.00316215/step, 0.491188 hours remaining, 237.496094 MB of memory in use. ENERGY: 4440800 3903.4828 20489.3373 14416.5862 248.6955 -203607.5284 2604.3633 0.0000 0.0000 51975.0640 -109969.9993 298.7014 -161945.0633 -109613.8717 298.5180 29.1097 62.8446 759980.6276 6.5771 6.3716 PRESSURE: 4441000 21.2412 -108.407 -162.836 -108.407 53.3541 -106.881 -162.836 -106.883 -171.705 GPRESSURE: 4441000 11.3505 -149.783 -153.609 -169.864 118.058 -83.5309 -54.4283 2.30347 -143.248 PRESSAVG: 4441000 13.1707 -18.8453 33.859 -18.8453 -14.6347 -3.8269 33.859 -3.82685 4.91692 GPRESSAVG: 4441000 11.529 -15.282 34.3634 -20.8008 -14.086 -5.00306 31.4674 -3.49908 6.10747 TIMING: 4441000 CPU: 14113.1, 0.00316577/step Wall: 14113.1, 0.00316577/step, 0.491574 hours remaining, 237.496094 MB of memory in use. ENERGY: 4441000 4020.9747 20452.2477 14420.8691 243.8280 -203180.0960 2437.3647 0.0000 0.0000 51877.8725 -109726.9393 298.1428 -161604.8118 -109369.3003 298.5539 -32.3697 -4.6132 761740.9479 1.1510 1.1835 PRESSURE: 4441200 -27.1695 -93.2378 -3.13565 -93.2383 -38.2026 -281.127 -3.13573 -281.128 -145.16 GPRESSURE: 4441200 53.7785 -132.133 -31.992 -89.0534 -80.5474 -208.486 35.107 -68.2006 -100.971 PRESSAVG: 4441200 -23.0644 -54.4432 49.6689 -54.4432 19.111 -30.3314 49.6689 -30.3313 -1.79869 GPRESSAVG: 4441200 -22.9408 -54.9365 50.6757 -54.7653 18.4216 -29.4606 51.0853 -31.6025 -1.14496 TIMING: 4441200 CPU: 14113.8, 0.00314719/step Wall: 14113.8, 0.00314719/step, 0.488514 hours remaining, 237.496094 MB of memory in use. ENERGY: 4441200 3948.2376 20406.7933 14324.5045 250.2373 -203372.4193 2447.4296 0.0000 0.0000 52204.7192 -109790.4979 300.0212 -161995.2171 -109435.7947 298.8954 -70.1774 -42.5801 761561.6563 -1.9174 -1.8880 PRESSURE: 4441400 -182.083 -179.407 5.61938 -179.407 -23.9634 200.055 5.62037 200.054 -120.698 GPRESSURE: 4441400 -99.4591 -141.171 -20.2961 -50.7436 -37.2986 246.93 44.1305 116.359 -105.393 PRESSAVG: 4441400 -17.5321 -47.2215 -57.9669 -47.2214 11.2648 18.8783 -57.9669 18.8783 13.7815 GPRESSAVG: 4441400 -18.1889 -48.4246 -58.1835 -46.174 12.4744 19.1531 -56.3761 19.9743 12.7054 TIMING: 4441400 CPU: 14114.4, 0.00317242/step Wall: 14114.4, 0.00317242/step, 0.492254 hours remaining, 237.496094 MB of memory in use. ENERGY: 4441400 3940.6496 20438.2403 14428.7031 255.6633 -203080.2068 2340.6525 0.0000 0.0000 51978.6600 -109697.6380 298.7221 -161676.2980 -109344.4105 298.5150 -108.9146 -80.7171 760555.8705 2.5047 2.3303 PRESSURE: 4441600 -221.464 149.079 -84.4984 149.079 -216.736 51.2916 -84.4986 51.292 302.418 GPRESSURE: 4441600 -160.979 140.324 -59.3252 59.0208 -201.015 70.1422 -168.661 14.9832 320.148 PRESSAVG: 4441600 -9.18149 -48.5944 -2.7504 -48.5944 47.6323 5.03312 -2.75036 5.03313 -15.8773 GPRESSAVG: 4441600 -7.73079 -47.815 -3.0238 -48.8824 47.3641 6.41802 -4.00989 4.24921 -17.1828 TIMING: 4441600 CPU: 14115, 0.00316834/step Wall: 14115, 0.00316834/step, 0.491445 hours remaining, 237.496094 MB of memory in use. ENERGY: 4441600 4000.1924 20279.7619 14412.6549 237.6611 -203667.4848 2861.4872 0.0000 0.0000 52111.2681 -109764.4592 299.4842 -161875.7273 -109400.7852 298.3182 -45.2608 -13.9486 761299.7907 7.5245 7.4835 PRESSURE: 4441800 -295.234 -13.0247 103.753 -13.0254 -233.361 16.611 103.753 16.6107 54.197 GPRESSURE: 4441800 -203.874 -14.0408 182.827 -88.2815 -249.484 47.3116 21.6982 66.9844 55.3945 PRESSAVG: 4441800 -28.0813 -41.2851 -16.9862 -41.2851 25.1747 19.533 -16.9862 19.533 -17.8249 GPRESSAVG: 4441800 -28.4289 -40.2145 -16.2764 -40.3921 25.0616 17.871 -16.3515 19.7604 -17.1076 TIMING: 4441800 CPU: 14115.7, 0.00317149/step Wall: 14115.7, 0.00317149/step, 0.491757 hours remaining, 237.496094 MB of memory in use. ENERGY: 4441800 3948.8406 20347.5537 14410.0970 242.6880 -203040.4653 2350.8989 0.0000 0.0000 52006.0549 -109734.3320 298.8795 -161740.3869 -109370.6262 298.8745 -158.1326 -132.6544 762826.4165 -6.9105 -6.8250 PRESSURE: 4442000 1.91465 -120.847 18.3441 -120.847 -234.81 -24.1642 18.3441 -24.1642 -29.1318 GPRESSURE: 4442000 -21.9706 -130.326 32.1157 -134.699 -123.054 -116.475 3.21134 119.907 -30.8723 PRESSAVG: 4442000 -11.6021 -31.8018 -11.7324 -31.8018 -9.8056 26.37 -11.7325 26.37 -15.1344 GPRESSAVG: 4442000 -12.0841 -32.9846 -11.1078 -34.3728 -8.91924 26.7441 -13.6844 28.1552 -15.7205 TIMING: 4442000 CPU: 14116.3, 0.00318492/step Wall: 14116.3, 0.00318493/step, 0.493663 hours remaining, 237.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4442000 3935.1176 20529.0725 14380.0744 248.1094 -203459.8355 2280.4385 0.0000 0.0000 52228.3525 -109858.6705 300.1571 -162087.0230 -109486.4570 298.6702 -87.3423 -58.6323 761371.2265 -12.1807 -12.2413 PRESSURE: 4442200 -203.526 -133.129 -124.515 -133.128 11.935 271.136 -124.514 271.136 -149.835 GPRESSURE: 4442200 -130.327 59.1574 -14.6259 -86.4179 42.9542 301.613 -162.685 278.204 -171.367 PRESSAVG: 4442200 53.5931 -27.577 -77.9441 -27.5771 -12.9844 -23.5906 -77.9441 -23.5907 17.3996 GPRESSAVG: 4442200 54.2738 -27.5303 -78.8147 -25.7058 -15.4022 -23.3942 -77.6571 -27.7445 18.9891 TIMING: 4442200 CPU: 14117, 0.0031938/step Wall: 14117, 0.0031938/step, 0.494862 hours remaining, 237.496094 MB of memory in use. ENERGY: 4442200 3953.2234 20413.0039 14421.7882 265.8942 -203311.0965 2431.2495 0.0000 0.0000 52196.1308 -109629.8065 299.9719 -161825.9373 -109272.5410 299.2866 -113.8088 -86.2466 761675.3735 19.3361 19.2869 PRESSURE: 4442400 -162.457 14.2042 -51.7236 14.2034 -288.695 -107.308 -51.7232 -107.307 -476.313 GPRESSURE: 4442400 -108.895 -135.397 -169.482 18.2008 -322.744 -70.1657 -87.3432 4.75159 -392.97 PRESSAVG: 4442400 3.01345 -58.8962 -42.8463 -58.8961 -30.0959 -10.444 -42.8463 -10.444 7.76771 GPRESSAVG: 4442400 3.46142 -59.2564 -42.7671 -58.9447 -29.6119 -12.2626 -41.2533 -10.2487 7.3671 TIMING: 4442400 CPU: 14117.6, 0.00317331/step Wall: 14117.6, 0.00317331/step, 0.491511 hours remaining, 237.496094 MB of memory in use. ENERGY: 4442400 3958.7030 20470.3471 14371.2640 239.3575 -202899.7814 2171.0736 0.0000 0.0000 51905.7733 -109783.2629 298.3032 -161689.0363 -109423.2750 298.6400 -309.1553 -274.8698 761864.8493 -6.4382 -6.2611 PRESSURE: 4442600 137.842 -71.2993 59.6005 -71.2996 91.7611 31.2484 59.6006 31.249 32.1278 GPRESSURE: 4442600 142.458 -21.1035 57.5378 17.66 204.517 82.4278 234.181 -18.7026 -1.51624 PRESSAVG: 4442600 62.6243 -63.4206 6.33701 -63.4206 -55.3988 25.9459 6.33704 25.946 -2.00625 GPRESSAVG: 4442600 60.9945 -62.3256 5.82289 -63.5377 -54.1755 28.5309 7.20205 25.6268 -2.00419 TIMING: 4442600 CPU: 14118.2, 0.00318285/step Wall: 14118.2, 0.00318286/step, 0.492812 hours remaining, 237.496094 MB of memory in use. ENERGY: 4442600 3859.8829 20451.8364 14397.5456 240.2207 -203404.3561 2523.4406 0.0000 0.0000 52038.4172 -109893.0126 299.0655 -161931.4298 -109532.1395 298.4161 87.2435 115.1530 761089.4843 1.7398 1.6050 PRESSURE: 4442800 -190.884 167.072 -205.365 167.072 -421.785 162.115 -205.365 162.116 -136.33 GPRESSURE: 4442800 -85.5443 269.435 -199.655 137.818 -392.25 193.892 -205.889 156.462 -172.741 PRESSAVG: 4442800 39.0505 -22.9053 -9.12977 -22.9054 -78.6495 -21.5245 -9.12978 -21.5245 4.56086 GPRESSAVG: 4442800 39.788 -22.4183 -8.234 -23.5967 -79.4011 -21.5819 -10.639 -20.6259 4.12692 TIMING: 4442800 CPU: 14118.9, 0.00317027/step Wall: 14118.9, 0.00317027/step, 0.490688 hours remaining, 237.496094 MB of memory in use. ENERGY: 4442800 3966.5621 20391.1938 14387.7789 230.1370 -203290.5043 2241.5587 0.0000 0.0000 51904.6243 -110168.6495 298.2966 -162073.2738 -109807.7643 298.0216 -249.6664 -216.8449 761483.5908 -11.6794 -11.8287 PRESSURE: 4443000 208.483 -169.158 -45.3538 -169.157 -15.2014 -55.9547 -45.3537 -55.9542 228.807 GPRESSURE: 4443000 273.412 -189.363 -32.3276 -154.132 46.4336 -16.5108 -39.9371 -86.6854 186.769 PRESSAVG: 4443000 -10.7325 -7.22963 -62.9471 -7.22964 16.1874 -14.9196 -62.9471 -14.9195 -5.57309 GPRESSAVG: 4443000 -9.72407 -8.94637 -64.246 -4.05161 15.2277 -15.5808 -61.0479 -14.3936 -6.18422 TIMING: 4443000 CPU: 14119.5, 0.00317529/step Wall: 14119.5, 0.00317529/step, 0.491287 hours remaining, 237.496094 MB of memory in use. ENERGY: 4443000 3940.0673 20571.5825 14366.6209 262.8914 -203309.2822 2384.4970 0.0000 0.0000 51722.1902 -110061.4329 297.2481 -161783.6231 -109705.0830 297.9180 140.6959 168.8718 760282.9318 -0.0394 -0.2269 PRESSURE: 4443200 -54.3512 40.7312 49.4684 40.7316 189.254 38.0579 49.4693 38.0576 24.5187 GPRESSURE: 4443200 -35.4787 88.0935 -12.1796 64.941 240.581 37.0215 0.177308 12.3205 41.1568 PRESSAVG: 4443200 -2.91983 -41.1403 -40.7077 -41.1403 -10.0165 -30.6911 -40.7077 -30.6909 14.392 GPRESSAVG: 4443200 -3.93997 -39.6764 -39.0729 -43.5678 -9.68147 -31.1566 -40.1255 -30.5223 15.3444 TIMING: 4443200 CPU: 14120.1, 0.00318193/step Wall: 14120.1, 0.00318193/step, 0.492139 hours remaining, 237.496094 MB of memory in use. ENERGY: 4443200 3952.5686 20524.6513 14464.3330 259.9812 -203574.3518 2496.3422 0.0000 0.0000 51912.2296 -109964.2460 298.3403 -161876.4756 -109615.4258 297.4499 53.1405 82.0862 761095.6218 0.4852 0.5743 PRESSURE: 4443400 262.612 -220.732 11.5227 -220.733 339.29 -81.5526 11.5229 -81.552 141.228 GPRESSURE: 4443400 416.342 -109.729 40.0276 -236.533 278.853 -25.0445 71.5994 -25.5281 137.252 PRESSAVG: 4443400 23.1311 -21.5582 17.2672 -21.5582 -17.7897 11.0379 17.2671 11.0379 1.17394 GPRESSAVG: 4443400 23.3862 -22.3921 16.0826 -21.3694 -18.5389 12.9931 16.9793 10.4402 1.84273 TIMING: 4443400 CPU: 14120.8, 0.00317629/step Wall: 14120.8, 0.00317629/step, 0.49109 hours remaining, 237.496094 MB of memory in use. ENERGY: 4443400 3923.2617 20467.4458 14433.0882 243.7125 -203632.2756 2584.3720 0.0000 0.0000 52114.8605 -109865.5350 299.5048 -161980.3955 -109493.1223 298.3807 247.7102 277.4822 758727.2657 2.1718 2.2300 PRESSURE: 4443600 -111.22 -16.0155 -307.383 -16.015 74.2152 153.387 -307.383 153.387 112.71 GPRESSURE: 4443600 4.57045 -10.6998 -270.949 66.7742 29.9327 97.0712 -265.254 112.422 141.598 PRESSAVG: 4443600 34.1762 18.2204 -62.6588 18.2204 3.77608 6.81585 -62.6588 6.81593 -5.65322 GPRESSAVG: 4443600 34.2878 18.0956 -62.9745 20.5362 4.87453 4.69029 -63.1093 6.45828 -7.02251 TIMING: 4443600 CPU: 14121.4, 0.00317046/step Wall: 14121.4, 0.00317046/step, 0.490012 hours remaining, 237.496094 MB of memory in use. ENERGY: 4443600 4020.9259 20334.2713 14387.8220 243.3864 -203476.8666 2568.8241 0.0000 0.0000 51878.8983 -110042.7385 298.1487 -161921.6368 -109681.4753 298.4528 25.2351 58.7004 760013.3963 10.7663 10.7133 PRESSURE: 4443800 -18.4444 17.3446 -1.89452 17.3445 -62.697 -136.893 -1.89366 -136.895 30.861 GPRESSURE: 4443800 -12.2236 113.479 -36.6736 -24.6482 17.8374 -138.223 -141.812 -27.705 22.2041 PRESSAVG: 4443800 37.9904 30.3216 -47.1179 30.3216 -6.87868 -3.11463 -47.1179 -3.1146 19.6657 GPRESSAVG: 4443800 37.327 30.2874 -46.4754 27.7639 -6.57993 -1.24385 -47.2064 -2.2493 19.9593 TIMING: 4443800 CPU: 14122, 0.00318783/step Wall: 14122, 0.00318783/step, 0.49252 hours remaining, 237.496094 MB of memory in use. ENERGY: 4443800 4013.6847 20492.1058 14493.7189 238.6276 -203468.8568 2507.6488 0.0000 0.0000 51909.5551 -109813.5159 298.3249 -161723.0710 -109459.6440 298.6206 -16.7601 9.2726 760158.8655 16.9258 16.9021 PRESSURE: 4444000 -2.61026 201.071 40.2127 201.07 -37.718 -168.351 40.2129 -168.35 -96.902 GPRESSURE: 4444000 -41.4734 255.951 38.9096 155.661 49.3288 -164.96 56.8886 -171.145 -47.6669 PRESSAVG: 4444000 42.4873 16.6671 -33.9476 16.6671 -46.3235 -26.336 -33.9476 -26.3359 -16.2962 GPRESSAVG: 4444000 42.3429 17.7255 -34.1198 18.6198 -46.2127 -28.3301 -33.3598 -26.5681 -16.0611 TIMING: 4444000 CPU: 14122.7, 0.00321614/step Wall: 14122.7, 0.00321614/step, 0.496716 hours remaining, 237.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4444000 3912.1598 20431.0667 14362.7309 247.0411 -203192.5831 2570.2761 0.0000 0.0000 51987.0415 -109682.2671 298.7702 -161669.3085 -109328.3658 298.9662 -45.7434 -13.2705 762842.1020 -6.7108 -6.6437 PRESSURE: 4444200 201.148 310.314 -131.117 310.314 285.593 -81.0368 -131.116 -81.0359 116.046 GPRESSURE: 4444200 251.889 294.711 -146.783 136.665 332.768 -2.12372 -46.1318 -79.1156 117.217 PRESSAVG: 4444200 -11.1851 20.7161 11.5014 20.7161 -7.9802 32.9104 11.5014 32.9104 5.27298 GPRESSAVG: 4444200 -11.3595 19.9384 12.833 18.9123 -8.40732 36.189 11.8671 31.774 5.63864 TIMING: 4444200 CPU: 14123.3, 0.00318112/step Wall: 14123.3, 0.00318112/step, 0.49113 hours remaining, 237.496094 MB of memory in use. ENERGY: 4444200 4012.4451 20437.1230 14406.9970 247.9568 -203466.1292 2704.7087 0.0000 0.0000 52010.2490 -109646.6494 298.9036 -161656.8985 -109287.5835 298.2524 200.9289 233.9580 760993.0428 -4.6308 -4.7094 LDB: ============= START OF LOAD BALANCING ============== 14135.7 LDB: ============== END OF LOAD BALANCING =============== 14135.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14135.7 LDB: ============= START OF LOAD BALANCING ============== 14136 LDB: Largest compute 7049 load 0.035247 is 18.0% of average load 0.195991 LDB: Average compute 0.004407 is 2.2% of average load 0.195991 LDB: TIME 14136 LOAD: AVG 0.195991 MAX 0.223264 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.789 MB LDB: TIME 14136 LOAD: AVG 0.195991 MAX 0.223264 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.793 MB LDB: TIME 14136 LOAD: AVG 0.195991 MAX 0.223264 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14136 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14136 PRESSURE: 4444400 -16.5381 -155.131 97.8072 -155.131 -168.189 -221.079 97.8068 -221.079 -288.186 GPRESSURE: 4444400 130.684 -74.2612 21.9979 -60.4734 -217.794 -195.019 43.9162 -283.16 -306.087 PRESSAVG: 4444400 25.2354 28.4591 -49.933 28.4591 -16.3002 -9.36562 -49.933 -9.36564 26.4297 GPRESSAVG: 4444400 26.8343 31.1568 -49.3374 27.3553 -17.2392 -10.4003 -51.4415 -10.5282 26.0063 TIMING: 4444400 CPU: 14124, 0.00323795/step Wall: 14124, 0.00323795/step, 0.499724 hours remaining, 238.664062 MB of memory in use. ENERGY: 4444400 3979.1941 20422.5254 14408.0157 256.4577 -203100.1037 2250.7542 0.0000 0.0000 52080.3542 -109702.8024 299.3065 -161783.1565 -109325.4184 298.5423 -157.6378 -131.0657 762044.5754 11.7883 11.8672 PRESSURE: 4444600 -163.044 -123.395 -173.349 -123.395 -145.351 298.06 -173.35 298.06 212.217 GPRESSURE: 4444600 4.1979 -118.966 -183.214 -71.9614 -204.741 298.292 -174.775 324.52 204.556 PRESSAVG: 4444600 36.7043 -12.8467 -9.00954 -12.8467 -12.2829 -30.0516 -9.00958 -30.0516 14.3468 GPRESSAVG: 4444600 35.7398 -14.1272 -9.06812 -9.9968 -12.4487 -32.7535 -7.91317 -27.9194 15.7323 TIMING: 4444600 CPU: 14124.6, 0.00317409/step Wall: 14124.6, 0.00317409/step, 0.489692 hours remaining, 238.867188 MB of memory in use. ENERGY: 4444600 3977.0691 20343.3654 14395.0685 241.0907 -203274.6678 2433.5395 0.0000 0.0000 52050.5309 -109834.0037 299.1351 -161884.5346 -109468.7655 298.3559 -32.0592 1.3377 760873.3843 12.9228 13.0078 PRESSURE: 4444800 180.732 154.74 12.4893 154.741 10.9677 -196.719 12.4896 -196.719 -3.64379 GPRESSURE: 4444800 177.575 149.544 -5.07066 131.128 36.2196 -211.583 69.2481 -190.805 50.2615 PRESSAVG: 4444800 18.2494 -45.5306 -66.7136 -45.5306 -45.0587 39.0914 -66.7136 39.0914 17.0991 GPRESSAVG: 4444800 18.865 -47.5206 -68.2412 -45.2814 -45.4959 39.1946 -66.0088 40.879 16.8821 TIMING: 4444800 CPU: 14125.2, 0.00317976/step Wall: 14125.2, 0.00317976/step, 0.490389 hours remaining, 238.867188 MB of memory in use. ENERGY: 4444800 3891.9872 20417.3154 14428.4889 241.1947 -203516.3054 2633.0596 0.0000 0.0000 51917.4663 -109986.7932 298.3704 -161904.2595 -109624.9731 298.3172 62.6855 88.0187 759990.0605 -3.2367 -3.2496 PRESSURE: 4445000 -158.379 92.5209 -207.496 92.5208 96.161 16.3762 -207.496 16.3765 374.556 GPRESSURE: 4445000 -69.1972 94.5365 -81.1618 202.065 85.6159 -15.2952 -150.841 30.5178 376.375 PRESSAVG: 4445000 -52.5066 -9.4952 -49.8999 -9.49525 30.0787 2.84503 -49.8998 2.84507 -24.1078 GPRESSAVG: 4445000 -53.862 -7.66593 -47.6751 -9.8018 31.0803 5.2143 -50.3132 1.60182 -24.4013 TIMING: 4445000 CPU: 14125.9, 0.0031791/step Wall: 14125.9, 0.0031791/step, 0.490111 hours remaining, 238.867188 MB of memory in use. ENERGY: 4445000 3964.3211 20525.2100 14425.3946 244.8428 -202915.6360 2198.2029 0.0000 0.0000 51704.8657 -109852.7990 297.1486 -161557.6647 -109489.0651 298.4912 104.1126 130.9312 760840.1690 -15.5119 -15.7277 PRESSURE: 4445200 -73.7147 -29.9617 162.133 -29.9614 -93.8376 29.7423 162.134 29.7424 -144.974 GPRESSURE: 4445200 -92.5956 -145.65 204.982 17.6341 2.14949 43.0369 181.066 -18.9629 -131.426 PRESSAVG: 4445200 -34.5688 -26.8931 -21.8175 -26.8932 29.8763 -30.1256 -21.8175 -30.1256 -7.08821 GPRESSAVG: 4445200 -33.9763 -29.8829 -21.8302 -26.2688 28.9107 -32.7692 -22.6067 -29.3825 -6.98518 TIMING: 4445200 CPU: 14126.5, 0.00322195/step Wall: 14126.5, 0.00322195/step, 0.496539 hours remaining, 238.867188 MB of memory in use. ENERGY: 4445200 3929.5217 20646.9408 14443.7885 249.6950 -203072.4275 2185.0801 0.0000 0.0000 52007.9175 -109609.4839 298.8902 -161617.4013 -109247.0301 298.7802 -104.1755 -73.9575 761802.9454 -3.9269 -4.0170 PRESSURE: 4445400 -217.651 -135.489 96.5203 -135.489 -37.0219 -60.136 96.521 -60.1348 17.3106 GPRESSURE: 4445400 -200.424 -190.711 138.981 -192.133 33.9841 -42.2182 -8.97581 -83.9583 14.2089 PRESSAVG: 4445400 -40.1237 -23.0067 16.3843 -23.0066 38.0693 -23.5436 16.3843 -23.5436 2.2224 GPRESSAVG: 4445400 -41.0801 -21.6491 16.2269 -24.6134 40.0428 -22.335 16.3216 -25.3988 1.06589 TIMING: 4445400 CPU: 14127.2, 0.00317319/step Wall: 14127.2, 0.00317319/step, 0.488848 hours remaining, 238.867188 MB of memory in use. ENERGY: 4445400 4032.9322 20447.9748 14411.8061 264.8596 -203708.3842 2613.4234 0.0000 0.0000 52245.1893 -109692.1988 300.2538 -161937.3881 -109326.8502 299.1070 -79.1208 -50.7438 761973.9806 0.0560 0.0095 PRESSURE: 4445600 -255.803 243.048 -317.224 243.049 -122.283 100.372 -317.224 100.372 -117.787 GPRESSURE: 4445600 -163.516 243.038 -322.302 177.701 -128.741 32.8582 -206.753 162.657 -122.996 PRESSAVG: 4445600 -19.6389 -59.8641 -33.7675 -59.8641 -40.5996 42.587 -33.7674 42.5869 19.6607 GPRESSAVG: 4445600 -19.1959 -58.6938 -34.1092 -60.7294 -40.8572 42.7366 -34.7336 43.916 19.0406 TIMING: 4445600 CPU: 14127.8, 0.00317832/step Wall: 14127.8, 0.00317832/step, 0.489461 hours remaining, 238.867188 MB of memory in use. ENERGY: 4445600 4041.6937 20656.7572 14383.3720 229.8333 -203574.4253 2564.5341 0.0000 0.0000 52179.6228 -109518.6123 299.8770 -161698.2351 -109149.5489 299.3918 -165.2912 -138.4178 760137.5772 -13.5259 -13.6708 PRESSURE: 4445800 156.155 -97.8453 11.534 -97.8457 -18.4854 200.455 11.5335 200.456 36.86 GPRESSURE: 4445800 119.364 -52.4077 17.1848 -6.91159 105.558 1.54019 111.845 266.707 53.3322 PRESSAVG: 4445800 38.1077 -64.1765 -19.6082 -64.1765 36.1388 13.8742 -19.6082 13.8742 -1.08672 GPRESSAVG: 4445800 38.212 -64.1041 -19.7106 -61.8029 35.1148 13.1278 -16.5737 13.0104 -0.15937 TIMING: 4445800 CPU: 14128.4, 0.00320199/step Wall: 14128.4, 0.00320199/step, 0.492928 hours remaining, 238.867188 MB of memory in use. ENERGY: 4445800 4017.1416 20601.0652 14398.1429 250.0186 -203017.8920 2298.2087 0.0000 0.0000 51759.4540 -109693.8610 297.4623 -161453.3150 -109318.2207 300.1084 58.1765 92.7514 759407.7767 24.3866 24.3891 PRESSURE: 4446000 -41.7135 186.337 129.771 186.337 126.203 -65.2988 129.771 -65.298 -104.366 GPRESSURE: 4446000 -63.3105 228.667 66.8568 182.019 159.413 -62.5028 120.422 -156.224 -33.0863 PRESSAVG: 4446000 15.0588 -7.65053 46.9045 -7.65048 -86.3251 47.7662 46.9044 47.7662 -10.8255 GPRESSAVG: 4446000 15.5012 -8.16872 46.8571 -8.9261 -85.6867 48.512 46.3816 47.0279 -12.2144 TIMING: 4446000 CPU: 14129.1, 0.00318495/step Wall: 14129.1, 0.00318495/step, 0.490128 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4446000 4081.9756 20429.4698 14371.9852 234.8032 -203189.0072 2234.3840 0.0000 0.0000 51969.3017 -109867.0876 298.6683 -161836.3893 -109507.2242 298.7624 -6.6255 21.0055 757693.6986 -27.3639 -27.4666 PRESSURE: 4446200 82.0569 98.0402 219.582 98.0405 25.921 -268.61 219.581 -268.61 34.3214 GPRESSURE: 4446200 99.0369 51.7153 193.428 98.885 -43.4457 -196.169 74.568 -379.161 143.086 PRESSAVG: 4446200 15.7485 -41.7265 -0.515402 -41.7265 40.4803 -67.3539 -0.515365 -67.3539 -13.6913 GPRESSAVG: 4446200 13.4382 -40.3831 0.0848523 -41.8073 39.2533 -66.8754 -3.65387 -68.3411 -10.4828 TIMING: 4446200 CPU: 14129.7, 0.00317881/step Wall: 14129.7, 0.00317882/step, 0.489008 hours remaining, 238.867188 MB of memory in use. ENERGY: 4446200 3959.0170 20525.9841 14364.1174 243.3122 -202862.3592 2008.9157 0.0000 0.0000 51866.5673 -109894.4457 298.0779 -161761.0129 -109535.5795 298.3607 47.4331 66.2258 760807.1406 14.1791 14.0696 PRESSURE: 4446400 -173.733 -81.422 92.9999 -81.4223 -400.346 -363.116 93.0001 -363.116 -196.767 GPRESSURE: 4446400 -149.624 -90.5534 80.0546 -188.627 -362.778 -247.155 54.6192 -470.925 -153.801 PRESSAVG: 4446400 -47.0644 -79.1591 60.4438 -79.1591 -48.3323 -67.0322 60.4438 -67.0322 5.93409 GPRESSAVG: 4446400 -45.5222 -80.1206 59.7421 -78.0802 -47.8008 -67.0893 62.9043 -65.6635 3.87856 TIMING: 4446400 CPU: 14130.3, 0.00318616/step Wall: 14130.3, 0.00318616/step, 0.48996 hours remaining, 238.867188 MB of memory in use. ENERGY: 4446400 3957.3314 20485.0777 14472.2655 249.6295 -203104.3146 2267.8073 0.0000 0.0000 51792.5249 -109879.6784 297.6524 -161672.2032 -109516.8543 298.3789 -256.9488 -222.0676 759891.6781 -29.8209 -29.8148 PRESSURE: 4446600 -220.92 -98.074 127.682 -98.0736 -92.2805 21.4617 127.681 21.4626 -155.571 GPRESSURE: 4446600 -220.3 -173.443 160.461 -161.663 7.56101 55.3322 39.3299 -6.40599 -161.363 PRESSAVG: 4446600 38.7742 -23.669 30.4124 -23.669 -18.9252 -20.8406 30.4125 -20.8405 -0.697648 GPRESSAVG: 4446600 37.508 -22.5446 30.0063 -26.0313 -18.3873 -23.2506 30.7172 -19.9156 -0.233471 TIMING: 4446600 CPU: 14131, 0.00317773/step Wall: 14131, 0.00317773/step, 0.488488 hours remaining, 238.867188 MB of memory in use. ENERGY: 4446600 3927.5682 20353.7422 14376.6836 233.5401 -202834.2276 2270.4798 0.0000 0.0000 51845.1472 -109827.0665 297.9548 -161672.2137 -109448.4251 298.4167 -156.2573 -124.7005 761879.9096 6.3838 6.2957 PRESSURE: 4446800 -120.913 -186.494 49.4781 -186.494 170.391 -217.225 49.4782 -217.226 355.327 GPRESSURE: 4446800 -42.0483 -188.085 138.057 -85.5153 140.268 -157.276 111.906 -102.3 404.916 PRESSAVG: 4446800 12.6667 -63.4028 37.1616 -63.4028 40.6493 -22.8106 37.1616 -22.8106 10.6378 GPRESSAVG: 4446800 13.2732 -64.6028 37.195 -61.7255 40.0276 -20.4676 39.079 -21.8547 10.3537 TIMING: 4446800 CPU: 14131.6, 0.00318513/step Wall: 14131.6, 0.00318513/step, 0.489448 hours remaining, 238.867188 MB of memory in use. ENERGY: 4446800 4021.9254 20270.2897 14374.6182 241.3851 -203415.3655 2450.4127 0.0000 0.0000 52155.0733 -109901.6612 299.7359 -162056.7345 -109524.8744 298.6000 134.9349 167.7119 760924.8392 21.3180 21.2182 PRESSURE: 4447000 -171.492 135.906 -63.8445 135.906 -249.572 114.073 -63.8452 114.074 -112.54 GPRESSURE: 4447000 -146.064 152.385 -154.541 141.496 -196.994 92.3495 -136.734 96.1302 -107.923 PRESSAVG: 4447000 -31.7403 -24.0229 7.85972 -24.0229 30.4198 -56.6147 7.85977 -56.6147 1.90816 GPRESSAVG: 4447000 -31.0244 -24.2396 7.80803 -22.6487 30.3414 -58.1762 6.49945 -56.7866 1.48284 TIMING: 4447000 CPU: 14132.2, 0.0031559/step Wall: 14132.2, 0.0031559/step, 0.484781 hours remaining, 238.867188 MB of memory in use. ENERGY: 4447000 4085.5248 20545.4470 14398.6339 241.4866 -203534.6787 2387.7057 0.0000 0.0000 52053.6068 -109822.2739 299.1528 -161875.8807 -109462.4844 298.6582 -177.8680 -150.3270 761589.9002 0.1959 0.2666 PRESSURE: 4447200 -74.857 -61.4164 88.0961 -61.416 268.214 178.496 88.0949 178.497 370.219 GPRESSURE: 4447200 13.16 17.1113 93.1219 -89.2011 258.475 161.445 151.534 157.384 380.299 PRESSAVG: 4447200 -11.8237 -27.6588 19.3534 -27.6588 17.3176 -8.66802 19.3535 -8.66813 7.06457 GPRESSAVG: 4447200 -13.0013 -28.6431 19.1728 -28.8639 17.5593 -9.0716 19.7893 -9.85964 8.28989 TIMING: 4447200 CPU: 14132.9, 0.00314513/step Wall: 14132.9, 0.00314513/step, 0.482953 hours remaining, 238.867188 MB of memory in use. ENERGY: 4447200 3975.3991 20777.3381 14499.1994 236.2895 -203340.7456 2433.2024 0.0000 0.0000 51629.1898 -109790.1273 296.7137 -161419.3171 -109445.7507 298.7037 187.8586 217.3115 759960.8405 4.1862 4.2826 PRESSURE: 4447400 152.789 -15.4899 -207.399 -15.4904 196.624 -213.969 -207.399 -213.969 -136.497 GPRESSURE: 4447400 203.538 42.0486 -139.3 26.4327 200.239 -286.081 -157.41 -329.981 -93.0005 PRESSAVG: 4447400 -17.4573 -24.6398 -30.2944 -24.6398 49.2947 10.8948 -30.2944 10.8948 -14.4632 GPRESSAVG: 4447400 -16.6149 -24.253 -29.1946 -24.8528 49.7175 11.5352 -33.5241 11.1312 -16.0448 TIMING: 4447400 CPU: 14133.5, 0.00315034/step Wall: 14133.5, 0.00315034/step, 0.483577 hours remaining, 238.867188 MB of memory in use. ENERGY: 4447400 3947.9916 20482.9549 14446.7294 241.1821 -203700.1060 2791.1650 0.0000 0.0000 52072.8435 -109717.2396 299.2633 -161790.0830 -109346.8566 298.7973 70.9720 103.5925 760142.9720 5.7914 5.6859 PRESSURE: 4447600 19.2572 86.1626 -54.0998 86.1616 -2.84343 189.114 -54.1006 189.115 204.452 GPRESSURE: 4447600 28.9726 159.273 -12.3083 178.287 -3.1569 225.825 -28.0836 172.258 279.702 PRESSAVG: 4447600 2.003 16.7297 -5.14022 16.7296 -3.35474 6.79168 -5.14025 6.79172 -9.957 GPRESSAVG: 4447600 0.374767 17.3383 -6.51397 17.7942 -3.59719 6.67408 -2.13787 6.60613 -8.8171 TIMING: 4447600 CPU: 14134.1, 0.00316953/step Wall: 14134.1, 0.00316953/step, 0.486347 hours remaining, 238.867188 MB of memory in use. ENERGY: 4447600 4024.6981 20552.1946 14430.1381 220.9295 -203472.3435 2619.5825 0.0000 0.0000 51954.7120 -109670.0887 298.5844 -161624.8007 -109322.8385 298.9675 73.6219 101.8391 761704.9277 -3.7696 -4.0132 PRESSURE: 4447800 -52.0888 -236.519 17.656 -236.518 -34.8759 -35.1741 17.6559 -35.1738 237.976 GPRESSURE: 4447800 -57.5363 -205.094 -3.07791 -122.66 77.8724 -8.1872 25.4037 31.869 216.837 PRESSAVG: 4447800 -18.6192 -23.6937 -38.0761 -23.6936 3.98186 53.5902 -38.0762 53.5901 19.8965 GPRESSAVG: 4447800 -17.1989 -24.4634 -37.1646 -24.5182 3.42236 53.8944 -39.5374 54.3603 18.5812 TIMING: 4447800 CPU: 14134.8, 0.00316584/step Wall: 14134.8, 0.00316584/step, 0.485605 hours remaining, 238.867188 MB of memory in use. ENERGY: 4447800 3983.4241 20450.2833 14439.9911 234.4136 -203411.3384 2521.5026 0.0000 0.0000 52032.9507 -109748.7731 299.0341 -161781.7238 -109375.8492 298.7929 50.3371 79.0577 759988.0947 1.7531 1.6016 PRESSURE: 4448000 -14.177 185.97 214.428 185.97 -368.9 -172.268 214.429 -172.268 -123.566 GPRESSURE: 4448000 -26.3613 91.354 175.711 28.9297 -328.694 -189.602 20.7119 -167.2 -75.5312 PRESSAVG: 4448000 -1.30747 12.4711 1.9342 12.4711 -28.5473 -0.459018 1.93419 -0.458956 -15.4099 GPRESSAVG: 4448000 -1.47839 11.7532 1.3827 12.5243 -29.2092 -0.337053 -0.024747 -0.409945 -14.3727 TIMING: 4448000 CPU: 14135.4, 0.00316691/step Wall: 14135.4, 0.00316691/step, 0.485594 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4448000 3996.1896 20489.9485 14343.0987 245.1578 -203365.9428 2653.2939 0.0000 0.0000 51959.6489 -109678.6053 298.6128 -161638.2542 -109320.2751 298.9079 -168.8812 -143.5287 762156.4197 -15.0882 -15.0201 PRESSURE: 4448200 -385.087 132.906 37.0168 132.906 139.688 48.5557 37.0168 48.5571 71.4317 GPRESSURE: 4448200 -286.589 165.899 23.9051 150.093 182.583 34.5019 93.0789 51.783 33.8978 PRESSAVG: 4448200 6.52916 -54.0547 23.3399 -54.0546 -12.3242 -7.73316 23.3398 -7.73326 12.6506 GPRESSAVG: 4448200 6.1686 -51.4495 22.4026 -51.7059 -11.4827 -7.10413 26.6468 -7.40832 12.6379 TIMING: 4448200 CPU: 14136, 0.00318131/step Wall: 14136, 0.00318131/step, 0.487625 hours remaining, 238.867188 MB of memory in use. ENERGY: 4448200 3971.3134 20384.5541 14394.2615 232.2293 -203226.3237 2362.2114 0.0000 0.0000 52022.1436 -109859.6104 298.9720 -161881.7540 -109502.1374 298.8317 -57.9894 -23.3694 761548.7594 2.2852 2.4413 LDB: ============= START OF LOAD BALANCING ============== 14148.4 LDB: ============== END OF LOAD BALANCING =============== 14148.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14148.4 LDB: ============= START OF LOAD BALANCING ============== 14148.8 LDB: Largest compute 7073 load 0.035376 is 18.1% of average load 0.195967 LDB: Average compute 0.004384 is 2.2% of average load 0.195967 LDB: TIME 14148.8 LOAD: AVG 0.195967 MAX 0.223799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 14148.8 LOAD: AVG 0.195967 MAX 0.223799 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 14148.8 LOAD: AVG 0.195967 MAX 0.223799 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 14148.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14148.8 PRESSURE: 4448400 69.8125 232.354 32.6922 232.354 -23.4514 -130.152 32.6925 -130.152 399.316 GPRESSURE: 4448400 89.9244 319.277 83.8766 170.563 39.3201 -171.567 135.852 25.3192 423.667 PRESSAVG: 4448400 -27.5958 -0.471637 -22.6693 -0.471738 38.5512 -19.1632 -22.6693 -19.1632 5.03133 GPRESSAVG: 4448400 -26.7362 -1.31169 -22.1113 -3.3794 37.145 -20.7667 -22.3061 -18.2951 5.5057 TIMING: 4448400 CPU: 14136.7, 0.00323879/step Wall: 14136.7, 0.00323879/step, 0.496255 hours remaining, 239.179688 MB of memory in use. ENERGY: 4448400 3957.1510 20500.2125 14449.0454 261.9381 -203504.0172 2720.4105 0.0000 0.0000 51860.8375 -109754.4221 298.0449 -161615.2596 -109398.3419 298.4169 148.5591 184.3040 761829.2020 5.3289 5.3048 PRESSURE: 4448600 -249.985 -185.145 102.156 -185.146 179.712 -82.5689 102.156 -82.5672 -214.067 GPRESSURE: 4448600 -247.75 -158.023 26.0098 -155.185 219.577 -131.667 144.175 -4.96665 -184.559 PRESSAVG: 4448600 -4.42031 -25.8654 -23.4472 -25.8655 23.3639 -23.625 -23.4473 -23.625 12.6934 GPRESSAVG: 4448600 -4.62422 -26.5631 -23.5011 -26.1032 23.9595 -23.968 -25.4019 -23.6023 12.2957 TIMING: 4448600 CPU: 14137.3, 0.00317119/step Wall: 14137.3, 0.00317119/step, 0.485721 hours remaining, 239.382812 MB of memory in use. ENERGY: 4448600 3998.9979 20421.8701 14455.8244 243.8715 -203045.0586 2542.3846 0.0000 0.0000 51812.8118 -109569.2984 297.7689 -161382.1102 -109207.8154 298.5265 -94.7799 -70.9104 762582.1781 10.5457 10.5437 PRESSURE: 4448800 58.6695 8.80102 -123.337 8.80036 -9.43641 93.0615 -123.336 93.0613 254.1 GPRESSURE: 4448800 92.5131 88.2155 -130.049 -4.64789 4.17235 86.1758 -122.762 83.8188 309.903 PRESSAVG: 4448800 -0.766654 -23.2651 28.067 -23.2651 -12.6619 -3.17088 28.067 -3.17078 2.21376 GPRESSAVG: 4448800 -1.30558 -25.5937 27.7237 -20.6231 -12.6416 -1.48914 30.0397 -2.90266 2.44551 TIMING: 4448800 CPU: 14138, 0.00316748/step Wall: 14138, 0.00316748/step, 0.484977 hours remaining, 239.382812 MB of memory in use. ENERGY: 4448800 3955.3616 20525.9597 14419.4027 247.6912 -203508.3591 2810.3875 0.0000 0.0000 52245.4138 -109304.1426 300.2551 -161549.5564 -108937.9936 299.6983 101.1112 135.5296 762355.0370 -3.7383 -3.8339 PRESSURE: 4449000 636.658 -34.6737 112.642 -34.6735 313.271 -172.464 112.642 -172.465 296.92 GPRESSURE: 4449000 561.682 -94.5166 139.109 -24.0952 409.45 -178.605 13.5189 -108.463 344.215 PRESSAVG: 4449000 -17.6627 -2.71957 -14.8547 -2.71955 11.5084 41.6262 -14.8546 41.6262 35.049 GPRESSAVG: 4449000 -18.0907 -0.0671068 -13.4624 -2.23918 12.2648 42.5644 -17.0308 38.2485 34.5003 TIMING: 4449000 CPU: 14138.6, 0.0031543/step Wall: 14138.6, 0.0031543/step, 0.482783 hours remaining, 239.382812 MB of memory in use. ENERGY: 4449000 3939.8169 20603.0556 14390.0309 255.3623 -203576.9364 2836.9884 0.0000 0.0000 52125.9675 -109425.7147 299.5687 -161551.6822 -109068.3109 299.3705 415.6166 438.4490 759859.6743 9.6316 9.5581 PRESSURE: 4449200 -132.892 67.3228 3.45506 67.3241 11.3259 -41.8453 3.45518 -41.8447 -112.991 GPRESSURE: 4449200 -10.0028 10.3601 -22.0034 45.3562 -47.7178 -6.9391 103.055 -18.3136 -101.357 PRESSAVG: 4449200 -16.618 21.5895 16.2975 21.5894 59.303 3.70248 16.2974 3.70251 18.8328 GPRESSAVG: 4449200 -16.2432 20.5076 15.5 19.6089 58.1694 1.33975 17.19 6.52914 19.319 TIMING: 4449200 CPU: 14139.2, 0.00315747/step Wall: 14139.2, 0.00315747/step, 0.483092 hours remaining, 239.382812 MB of memory in use. ENERGY: 4449200 3909.9816 20450.7846 14446.2973 242.6179 -203270.6573 2538.8778 0.0000 0.0000 52189.8054 -109492.2929 299.9355 -161682.0983 -109123.8688 300.0559 -78.1857 -53.0257 760192.1316 20.5059 20.4150 PRESSURE: 4449400 7.4514 -19.4945 162.457 -19.4945 -441.781 -194.041 162.457 -194.041 -340.977 GPRESSURE: 4449400 62.0538 89.6593 89.3718 37.7845 -431.554 -104.864 64.1245 -138.333 -325.326 PRESSAVG: 4449400 -40.3935 -11.5785 -62.1377 -11.5785 25.1584 0.696779 -62.1376 0.696781 0.103123 GPRESSAVG: 4449400 -40.6966 -11.8026 -61.7724 -10.5873 26.1177 2.88212 -62.6443 0.387192 -0.58265 TIMING: 4449400 CPU: 14139.8, 0.0031669/step Wall: 14139.8, 0.0031669/step, 0.48436 hours remaining, 239.382812 MB of memory in use. ENERGY: 4449400 4007.5492 20536.3383 14493.0283 249.5526 -203548.5108 2571.4442 0.0000 0.0000 52172.6325 -109517.9657 299.8368 -161690.5982 -109153.5076 299.5649 -258.4357 -231.6086 760296.7845 -5.0440 -5.0539 PRESSURE: 4449600 16.7027 89.1382 75.6843 89.1383 -8.12896 -124.319 75.6839 -124.318 217.897 GPRESSURE: 4449600 7.83435 37.4352 -45.6084 4.15597 87.2154 -75.4517 80.6636 -179.052 233.097 PRESSAVG: 4449600 1.85351 -6.85713 -26.5503 -6.85709 15.8809 1.64723 -26.5503 1.64726 -4.89351 GPRESSAVG: 4449600 2.90429 -6.2282 -26.8478 -6.37104 15.3876 1.63923 -26.9484 0.859015 -4.83747 TIMING: 4449600 CPU: 14140.5, 0.00317299/step Wall: 14140.5, 0.00317299/step, 0.485115 hours remaining, 239.382812 MB of memory in use. ENERGY: 4449600 3982.6017 20401.2254 14416.6148 257.8728 -203701.2722 2831.2737 0.0000 0.0000 52306.1183 -109505.5655 300.6040 -161811.6838 -109138.5231 299.6297 75.4901 109.3824 759400.3829 4.2803 4.4848 PRESSURE: 4449800 49.0994 234.115 -54.1772 234.116 -282.109 325.906 -54.1771 325.907 284.266 GPRESSURE: 4449800 43.0855 69.5348 17.1316 176.273 -182.149 315.553 -87.593 268.062 271.443 PRESSAVG: 4449800 29.1667 1.21658 43.1699 1.21657 -8.10867 -2.61264 43.1699 -2.61264 -20.0893 GPRESSAVG: 4449800 28.3416 0.735772 43.7452 -0.15503 -6.87496 -3.71286 43.0942 -2.97244 -20.7267 TIMING: 4449800 CPU: 14141.1, 0.00318006/step Wall: 14141.1, 0.00318006/step, 0.486019 hours remaining, 239.382812 MB of memory in use. ENERGY: 4449800 3986.0978 20716.9739 14383.7631 264.4752 -203500.7953 2624.7145 0.0000 0.0000 52016.1625 -109508.6083 298.9376 -161524.7708 -109144.7204 299.6763 17.0855 44.1264 761074.7026 0.3229 0.2466 PRESSURE: 4450000 -91.897 -269.091 348.851 -269.089 27.6166 109.146 348.852 109.146 -233.472 GPRESSURE: 4450000 -40.9545 -306.794 331.292 -187.96 95.6435 10.8463 300.656 102.861 -240.168 PRESSAVG: 4450000 51.4291 -16.169 -59.334 -16.1689 -7.87838 -13.1397 -59.334 -13.1397 -15.5604 GPRESSAVG: 4450000 53.1121 -15.6498 -60.22 -17.0537 -7.73289 -13.156 -57.2612 -12.3442 -17.0863 TIMING: 4450000 CPU: 14141.7, 0.00314921/step Wall: 14141.7, 0.00314921/step, 0.481129 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4450000 3935.3325 20447.8536 14484.0667 253.9302 -203614.3605 2577.3679 0.0000 0.0000 52123.2725 -109792.5371 299.5532 -161915.8096 -109416.9310 299.3101 -99.2506 -61.8265 759003.5532 9.3301 9.4310 PRESSURE: 4450200 262.612 -132.259 -214.83 -132.259 87.667 20.4452 -214.829 20.4449 66.0302 GPRESSURE: 4450200 233.008 2.17533 -325.422 -90.9874 170.21 94.4025 -124.082 45.6334 88.6485 PRESSAVG: 4450200 10.4797 29.9756 15.6107 29.9756 7.34377 -31.2695 15.6107 -31.2696 8.76963 GPRESSAVG: 4450200 8.47973 29.0629 15.1632 31.466 6.91833 -28.5908 15.059 -32.3786 11.4253 TIMING: 4450200 CPU: 14142.4, 0.00315503/step Wall: 14142.4, 0.00315503/step, 0.481843 hours remaining, 239.382812 MB of memory in use. ENERGY: 4450200 4018.0709 20555.5704 14413.5356 250.1410 -203110.7637 2150.5096 0.0000 0.0000 51942.0482 -109780.8881 298.5117 -161722.9363 -109423.3201 298.9302 138.7696 163.9555 760399.6395 8.8644 8.9411 PRESSURE: 4450400 -268.037 -259.11 -84.2127 -259.111 -32.3025 -217.288 -84.2126 -217.287 -349.941 GPRESSURE: 4450400 -203.165 -197.132 -140.855 -176.557 -54.0567 -208.541 -68.7964 -224.442 -310.506 PRESSAVG: 4450400 20.9421 -2.69101 -38.3624 -2.69099 1.52876 -22.9488 -38.3625 -22.9488 12.9583 GPRESSAVG: 4450400 21.6633 -0.689196 -38.3093 -2.36826 1.12518 -25.8058 -39.763 -22.5744 12.5811 TIMING: 4450400 CPU: 14143, 0.00316128/step Wall: 14143, 0.00316128/step, 0.482622 hours remaining, 239.382812 MB of memory in use. ENERGY: 4450400 3912.8095 20516.2860 14429.6265 239.6076 -203279.5986 2347.3276 0.0000 0.0000 52237.9012 -109596.0402 300.2119 -161833.9415 -109238.8938 299.0471 -216.7603 -189.2429 762224.5517 11.8097 11.7899 PRESSURE: 4450600 -235.151 -72.4699 0.397125 -72.4691 152.056 -115.867 0.396853 -115.867 347.721 GPRESSURE: 4450600 -138.358 -63.2681 75.6485 -124.215 152.791 -46.4992 -94.1866 -184.852 342.523 PRESSAVG: 4450600 17.201 -57.067 3.19212 -57.067 9.03682 -29.0013 3.19214 -29.0013 22.6382 GPRESSAVG: 4450600 16.3104 -58.5595 3.75888 -55.7918 9.51402 -28.7379 4.37824 -26.9519 23.1153 TIMING: 4450600 CPU: 14143.6, 0.00316321/step Wall: 14143.6, 0.0031632/step, 0.48274 hours remaining, 239.382812 MB of memory in use. ENERGY: 4450600 4000.5669 20567.4603 14446.8367 245.5643 -203093.7337 2505.6318 0.0000 0.0000 51859.4470 -109468.2266 298.0370 -161327.6736 -109121.8101 298.9103 88.2086 118.9856 762070.2285 16.2920 16.3132 PRESSURE: 4450800 -343.991 -97.1048 96.9144 -97.1052 -454.406 -146.923 96.9135 -146.923 -411.556 GPRESSURE: 4450800 -228.697 -68.0153 31.8055 -40.3475 -512.222 -1.2335 -0.899442 -109.668 -383.34 PRESSAVG: 4450800 -20.9632 -8.44128 -36.2736 -8.44125 54.8274 26.626 -36.2736 26.6261 -35.2554 GPRESSAVG: 4450800 -20.6868 -7.41474 -36.5881 -8.52073 54.0791 26.233 -38.353 25.0739 -34.7213 TIMING: 4450800 CPU: 14144.3, 0.00314532/step Wall: 14144.3, 0.00314532/step, 0.479836 hours remaining, 239.382812 MB of memory in use. ENERGY: 4450800 4087.9666 20526.5227 14556.7539 227.4688 -203113.9485 2229.9862 0.0000 0.0000 52052.1259 -109433.1245 299.1443 -161485.2503 -109082.6496 299.0502 -403.3177 -374.7529 761325.9859 -0.4637 -0.4430 PRESSURE: 4451000 -278.001 -136.404 -240.109 -136.405 -351.492 35.0822 -240.109 35.0823 7.46013 GPRESSURE: 4451000 -308.068 -96.3555 -226.225 -235.6 -358.684 23.3604 -174.151 -12.4324 145.478 PRESSAVG: 4451000 -1.5192 -33.0518 18.5593 -33.0517 -35.1451 -55.0425 18.5594 -55.0425 -6.94107 GPRESSAVG: 4451000 -2.14378 -33.5767 18.9735 -33.8194 -33.6097 -54.2365 20.9366 -55.2271 -8.55959 TIMING: 4451000 CPU: 14144.9, 0.00316192/step Wall: 14144.9, 0.00316192/step, 0.482193 hours remaining, 239.382812 MB of memory in use. ENERGY: 4451000 4022.3217 20592.6125 14451.7482 225.0590 -203003.5759 2331.2591 0.0000 0.0000 51994.1590 -109386.4165 298.8111 -161380.5755 -109016.0350 299.5534 -207.3441 -173.7580 762590.8736 -14.5351 -14.7710 PRESSURE: 4451200 60.2105 125.988 1.29202 125.988 -102.004 -74.8355 1.29121 -74.8359 116.194 GPRESSURE: 4451200 156.66 117.219 80.1977 161.473 -57.7712 -48.072 101.943 -116.468 44.5228 PRESSAVG: 4451200 -4.26661 25.6078 47.0516 25.6078 11.7331 -41.6954 47.0516 -41.6953 -21.1281 GPRESSAVG: 4451200 -4.85352 27.0732 46.6901 24.2754 11.4387 -41.6294 45.6441 -39.7266 -20.0686 TIMING: 4451200 CPU: 14145.5, 0.00315482/step Wall: 14145.5, 0.00315482/step, 0.480934 hours remaining, 239.382812 MB of memory in use. ENERGY: 4451200 4019.3104 20422.8768 14477.4180 252.1123 -203351.8226 2588.6728 0.0000 0.0000 52078.0463 -109513.3860 299.2932 -161591.4323 -109153.1896 299.6699 24.8000 47.8040 760328.9121 -4.5539 -4.4945 PRESSURE: 4451400 -54.3066 321.315 144.225 321.315 -259.894 -5.48476 144.225 -5.48391 13.2448 GPRESSURE: 4451400 36.2458 370.391 22.7045 175.626 -345.379 0.119214 113.226 -39.585 78.7884 PRESSAVG: 4451400 25.6039 -19.18 44.6222 -19.18 -24.1304 -40.0969 44.6222 -40.0969 7.99661 GPRESSAVG: 4451400 26.7672 -18.6551 44.9936 -19.5026 -26.3019 -40.2072 44.1286 -43.0769 8.89445 TIMING: 4451400 CPU: 14146.2, 0.00316073/step Wall: 14146.2, 0.00316073/step, 0.48166 hours remaining, 239.382812 MB of memory in use. ENERGY: 4451400 3963.7262 20522.1774 14479.4606 244.4227 -203229.1681 2265.3595 0.0000 0.0000 52091.8794 -109662.1423 299.3727 -161754.0217 -109304.4322 299.1719 -100.3186 -76.7815 760829.4850 3.1567 3.1199 PRESSURE: 4451600 52.4674 -157.186 228.116 -157.187 50.3345 -48.7581 228.116 -48.7577 -227.336 GPRESSURE: 4451600 129.872 -96.0971 265.011 -182.84 117.319 34.4389 209.454 -42.9802 -257.775 PRESSAVG: 4451600 -27.2759 26.6328 17.189 26.6328 17.5509 -50.1901 17.189 -50.1902 -4.24401 GPRESSAVG: 4451600 -26.7254 24.2832 17.3961 28.0791 19.3954 -50.4527 13.8122 -47.9201 -6.60306 TIMING: 4451600 CPU: 14146.8, 0.00316662/step Wall: 14146.8, 0.00316662/step, 0.482382 hours remaining, 239.382812 MB of memory in use. ENERGY: 4451600 3961.4326 20433.1012 14451.0788 245.1152 -203412.7826 2610.2712 0.0000 0.0000 52154.1908 -109557.5929 299.7309 -161711.7837 -109200.9865 299.2162 -41.5113 -3.5279 760508.2654 -4.6563 -4.6444 PRESSURE: 4451800 303.209 -208.485 1.53892 -208.484 -229.177 -133.668 1.53982 -133.669 -73.5573 GPRESSURE: 4451800 216.636 -157.757 123.916 -108.444 -67.7818 -111.582 -2.66997 -103.81 -54.4179 PRESSAVG: 4451800 -2.25983 -39.2354 10.2564 -39.2352 14.4098 10.5011 10.2564 10.501 5.05719 GPRESSAVG: 4451800 -4.06351 -38.8795 10.5655 -38.8237 14.6026 10.2686 13.158 12.051 6.82604 TIMING: 4451800 CPU: 14147.4, 0.00314774/step Wall: 14147.4, 0.00314774/step, 0.479331 hours remaining, 239.382812 MB of memory in use. ENERGY: 4451800 4035.8153 20416.9382 14418.5852 253.2446 -202889.4103 2361.7614 0.0000 0.0000 52038.0221 -109365.0435 299.0632 -161403.0657 -109005.3492 299.6976 0.1581 31.4789 760431.5966 5.7357 5.7884 PRESSURE: 4452000 -686.475 115.47 -169.98 115.47 -87.1788 35.1938 -169.98 35.1939 -355.369 GPRESSURE: 4452000 -655.007 67.9641 -119.825 95.012 16.9267 32.5532 -244.547 -109.525 -414.643 PRESSAVG: 4452000 41.7132 -10.1287 -69.8552 -10.1288 10.3606 21.1247 -69.8552 21.1247 -21.285 GPRESSAVG: 4452000 41.9044 -9.04053 -69.8585 -11.0849 11.1755 20.2029 -68.731 19.4705 -22.5169 TIMING: 4452000 CPU: 14148.1, 0.00313267/step Wall: 14148.1, 0.00313267/step, 0.476862 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4452000 4057.8261 20406.6583 14540.7565 244.8116 -203042.4593 2208.3161 0.0000 0.0000 52016.1607 -109567.9300 298.9376 -161584.0907 -109200.1364 299.6994 -376.3409 -350.9076 760599.3932 10.2629 10.1877 PRESSURE: 4452200 -219.681 -178.905 233.6 -178.904 122.46 -106.441 233.601 -106.44 -557.367 GPRESSURE: 4452200 -217.629 -185.905 224.871 -169.127 89.4764 18.6459 110.477 -230.666 -468.593 PRESSAVG: 4452200 -60.5811 -62.1204 -4.36137 -62.1205 58.3878 -7.45814 -4.36139 -7.45811 -5.01066 GPRESSAVG: 4452200 -60.82 -63.1377 -4.14713 -61.113 57.7082 -5.65297 -6.11861 -9.99105 -3.98154 TIMING: 4452200 CPU: 14148.7, 0.00314528/step Wall: 14148.7, 0.00314528/step, 0.478606 hours remaining, 239.382812 MB of memory in use. ENERGY: 4452200 4042.9777 20575.8087 14495.2576 259.9903 -203736.9602 2769.0618 0.0000 0.0000 52400.2891 -109193.5750 301.1452 -161593.8642 -108838.7583 299.4056 -218.1960 -198.9152 760971.4657 -2.4013 -2.3644 LDB: ============= START OF LOAD BALANCING ============== 14161.1 LDB: ============== END OF LOAD BALANCING =============== 14161.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14161.1 LDB: ============= START OF LOAD BALANCING ============== 14161.4 LDB: Largest compute 7049 load 0.038121 is 19.4% of average load 0.196023 LDB: Average compute 0.004386 is 2.2% of average load 0.196023 LDB: TIME 14161.4 LOAD: AVG 0.196023 MAX 0.218185 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.406 MB LDB: TIME 14161.4 LOAD: AVG 0.196023 MAX 0.218185 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.52 MB LDB: TIME 14161.4 LOAD: AVG 0.196023 MAX 0.218185 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14161.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14161.4 PRESSURE: 4452400 46.7791 70.863 -129.424 70.8636 -145.394 -179.086 -129.424 -179.085 59.8078 GPRESSURE: 4452400 46.7685 29.231 -37.6225 179.61 -140.854 -112.94 -110.091 -168.56 130.185 PRESSAVG: 4452400 -24.5547 0.10466 -14.5645 0.104657 58.9156 11.6815 -14.5645 11.6815 5.68298 GPRESSAVG: 4452400 -25.5608 1.83132 -16.3621 1.00336 59.2818 11.6379 -11.8931 13.5666 5.76613 TIMING: 4452400 CPU: 14149.3, 0.00323175/step Wall: 14149.3, 0.00323175/step, 0.491585 hours remaining, 238.410156 MB of memory in use. ENERGY: 4452400 3952.9414 20523.9787 14474.9835 244.7704 -203314.0669 2582.0919 0.0000 0.0000 52066.0345 -109469.2664 299.2242 -161535.3009 -109116.2005 300.0318 -12.9358 12.0331 760345.7955 13.3479 13.1624 PRESSURE: 4452600 220.55 110.478 -117.215 110.479 160.208 221.454 -117.215 221.454 61.7294 GPRESSURE: 4452600 138.217 131.812 -114.751 256.04 353.3 221.599 -15.426 193.39 35.1671 PRESSAVG: 4452600 -3.50475 -13.5713 4.28076 -13.5713 -2.41479 -42.4477 4.28073 -42.4476 16.3212 GPRESSAVG: 4452600 -3.02694 -14.4383 6.59111 -14.8627 -2.0399 -42.5726 2.30914 -44.1153 15.0054 TIMING: 4452600 CPU: 14150, 0.0031602/step Wall: 14150, 0.0031602/step, 0.480527 hours remaining, 238.410156 MB of memory in use. ENERGY: 4452600 4039.1719 20545.4033 14416.6934 232.4045 -203321.7615 2396.4783 0.0000 0.0000 52259.1502 -109432.4598 300.3341 -161691.6101 -109064.5234 300.2902 147.4957 175.5613 758688.2312 3.4672 3.3128 PRESSURE: 4452800 -78.2306 91.9097 -150.205 91.9098 117.898 138.884 -150.204 138.885 -58.9842 GPRESSURE: 4452800 -61.2856 130.939 -217.585 157.749 188.072 111.549 -257.723 29.2627 -40.6891 PRESSAVG: 4452800 26.4598 7.36071 -28.0927 7.36066 -24.4124 38.1874 -28.0927 38.1874 -1.86467 GPRESSAVG: 4452800 26.9303 7.22212 -28.7682 6.28082 -24.0669 37.6995 -27.761 37.0284 -2.40089 TIMING: 4452800 CPU: 14150.6, 0.00318019/step Wall: 14150.6, 0.00318019/step, 0.483389 hours remaining, 238.410156 MB of memory in use. ENERGY: 4452800 4029.3631 20507.4908 14458.0104 239.6310 -203274.4911 2357.5704 0.0000 0.0000 52101.8925 -109580.5328 299.4303 -161682.4254 -109215.8382 299.3442 -6.4391 28.6990 759712.6467 0.0609 0.1542 PRESSURE: 4453000 27.1031 -113.253 19.9578 -113.254 178.665 -185.028 19.9577 -185.027 -99.244 GPRESSURE: 4453000 118.017 -151.334 5.60613 -90.2979 137.926 -190.328 23.7586 -113.27 -67.9244 PRESSAVG: 4453000 -29.947 -6.32082 -50.506 -6.32085 7.2459 -66.1939 -50.506 -66.194 0.247528 GPRESSAVG: 4453000 -29.1755 -8.06986 -51.3624 -6.16213 6.62068 -64.545 -50.4466 -67.1858 0.013652 TIMING: 4453000 CPU: 14151.2, 0.00316268/step Wall: 14151.2, 0.00316268/step, 0.480551 hours remaining, 238.410156 MB of memory in use. ENERGY: 4453000 4058.1515 20349.6330 14409.7237 268.2279 -203408.7620 2513.6049 0.0000 0.0000 52107.4490 -109701.9720 299.4622 -161809.4210 -109352.5056 299.2807 35.5080 62.6731 760939.7512 -7.4845 -7.5137 PRESSURE: 4453200 -117.675 84.4611 109.481 84.46 211.657 -81.8099 109.48 -81.8094 508.681 GPRESSURE: 4453200 72.2115 75.8369 119.821 108.769 237.484 -79.9001 17.0069 -97.3377 375.516 PRESSAVG: 4453200 -11.1379 -1.01956 -53.1523 -1.01949 -13.0742 40.2286 -53.1524 40.2286 14.4694 GPRESSAVG: 4453200 -12.2368 -1.72103 -52.7335 1.49649 -12.7427 38.2077 -53.2302 44.3068 14.7966 TIMING: 4453200 CPU: 14151.9, 0.00316519/step Wall: 14151.9, 0.00316518/step, 0.480756 hours remaining, 238.410156 MB of memory in use. ENERGY: 4453200 3982.2809 20485.9240 14445.4535 243.4970 -203574.0699 2722.7068 0.0000 0.0000 52118.8277 -109575.3799 299.5276 -161694.2076 -109218.3333 299.1999 200.8878 228.4038 761254.7518 -3.2476 -3.3943 PRESSURE: 4453400 -17.0463 -75.2778 -167.465 -75.2776 441.769 -228.39 -167.466 -228.39 401.947 GPRESSURE: 4453400 84.9145 -103.107 -62.638 -72.7142 455.817 -249.761 -95.4645 -258.362 363.766 PRESSAVG: 4453400 20.1752 39.0417 3.95917 39.0416 -28.1146 -35.5016 3.95919 -35.5016 5.74281 GPRESSAVG: 4453400 21.4969 40.0134 5.41978 37.6627 -28.8347 -36.4049 3.32071 -37.4403 5.18589 TIMING: 4453400 CPU: 14152.5, 0.00316435/step Wall: 14152.5, 0.00316435/step, 0.480454 hours remaining, 238.410156 MB of memory in use. ENERGY: 4453400 4049.5600 20589.3279 14600.3766 238.8320 -203570.4968 2417.0801 0.0000 0.0000 52110.2398 -109565.0804 299.4783 -161675.3202 -109204.7740 299.4512 275.5566 301.4992 759114.4503 -0.7322 -0.7173 PRESSURE: 4453600 -326.392 10.2548 205.561 10.2547 -109.802 -9.91755 205.561 -9.91774 -89.7942 GPRESSURE: 4453600 -263.538 34.6124 224.099 4.2229 -84.9877 -4.95471 134.499 47.7271 -97.8004 PRESSAVG: 4453600 -61.2249 -31.2701 -33.4329 -31.2701 8.04024 -23.9595 -33.4329 -23.9595 10.6293 GPRESSAVG: 4453600 -60.5856 -30.7356 -36.3009 -29.7355 7.44305 -24.5933 -32.3716 -23.2467 11.0045 TIMING: 4453600 CPU: 14153.1, 0.00318324/step Wall: 14153.1, 0.00318324/step, 0.483145 hours remaining, 238.410156 MB of memory in use. ENERGY: 4453600 3976.0156 20536.7324 14495.0044 250.6039 -203145.1813 2254.0263 0.0000 0.0000 52062.6642 -109570.1344 299.2048 -161632.7987 -109212.5087 299.0212 -175.3296 -148.7754 760128.6852 -14.1851 -14.0460 PRESSURE: 4453800 -550.53 -3.42348 97.4346 -3.42367 -73.0178 167.605 97.4345 167.605 -145.613 GPRESSURE: 4453800 -488.082 -52.9266 79.0407 2.59765 -102.46 176.047 136.295 171.316 -69.5584 PRESSAVG: 4453800 -51.1036 13.0129 4.60352 13.0129 59.8097 11.3993 4.60354 11.3992 -6.89555 GPRESSAVG: 4453800 -51.4215 12.8285 6.91577 11.0285 59.3007 12.0758 4.22567 11.9926 -5.76859 TIMING: 4453800 CPU: 14153.8, 0.00315091/step Wall: 14153.8, 0.00315091/step, 0.478063 hours remaining, 238.410156 MB of memory in use. ENERGY: 4453800 3971.2688 20498.6707 14440.9661 252.4214 -203254.2733 2349.3837 0.0000 0.0000 52152.9820 -109588.5807 299.7239 -161741.5627 -109222.8286 299.4999 -256.3871 -220.0335 760009.4844 0.6035 0.7035 PRESSURE: 4454000 382.281 32.6308 -237.765 32.6288 -9.19426 -86.2985 -237.765 -86.2995 414.914 GPRESSURE: 4454000 433.037 5.33961 -325.103 40.1167 -32.6829 -168.177 -224.762 -61.7405 450.103 PRESSAVG: 4454000 2.46714 -10.619 3.742 -10.619 -14.7688 -8.88477 3.74197 -8.88471 21.2324 GPRESSAVG: 4454000 1.09962 -10.455 3.00963 -10.1768 -12.2845 -7.86182 5.21737 -9.87891 20.4616 TIMING: 4454000 CPU: 14154.4, 0.00315782/step Wall: 14154.4, 0.00315782/step, 0.478936 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4454000 3922.1472 20455.2926 14540.4710 236.7886 -203518.3178 2390.5261 0.0000 0.0000 52429.2726 -109543.8198 301.3118 -161973.0924 -109174.9474 299.4390 262.6670 283.4858 758349.9267 2.9769 3.0922 PRESSURE: 4454200 -34.3276 24.8826 276.04 24.8822 6.58352 -1.38036 276.04 -1.38126 -182.691 GPRESSURE: 4454200 28.5442 -44.6482 225.993 3.17781 102.499 1.35594 226.357 83.8781 -241.07 PRESSAVG: 4454200 -11.6557 25.4296 -5.67918 25.4296 29.1851 -50.8985 -5.6792 -50.8986 4.98233 GPRESSAVG: 4454200 -9.21234 26.4761 -6.40102 24.4912 26.9697 -51.2826 -5.21946 -50.9794 5.24399 TIMING: 4454200 CPU: 14155, 0.00315931/step Wall: 14155, 0.00315931/step, 0.478987 hours remaining, 238.410156 MB of memory in use. ENERGY: 4454200 4020.6123 20523.0176 14466.4934 220.8776 -203467.9541 2513.2809 0.0000 0.0000 52132.7297 -109590.9426 299.6075 -161723.6723 -109217.7759 299.4925 -70.1451 -36.6757 760020.6186 7.5039 7.6671 PRESSURE: 4454400 137.848 177.119 -70.6357 177.119 -20.5813 247.915 -70.6361 247.914 240.772 GPRESSURE: 4454400 152.136 305.829 -97.855 98.9632 30.221 345.443 -65.6615 110.424 252.89 PRESSAVG: 4454400 18.6226 30.2789 -3.69568 30.2789 28.796 33.2185 -3.69558 33.2185 26.239 GPRESSAVG: 4454400 16.8549 29.4327 -3.76219 30.9856 29.956 34.2607 -2.69439 34.3393 26.503 TIMING: 4454400 CPU: 14155.7, 0.00315416/step Wall: 14155.7, 0.00315416/step, 0.478031 hours remaining, 238.410156 MB of memory in use. ENERGY: 4454400 3888.1543 20692.9439 14425.1241 254.9738 -203912.1309 2817.1501 0.0000 0.0000 52027.8505 -109805.9342 299.0048 -161833.7847 -109436.1377 299.2383 119.3462 145.0824 760241.9612 24.5525 24.4380 PRESSURE: 4454600 -217.694 262.072 -132.883 262.072 -286.94 134.469 -132.883 134.469 -240.826 GPRESSURE: 4454600 -125.087 140.775 -147.27 268.01 -276.463 153.907 -29.9332 63.0936 -256.615 PRESSAVG: 4454600 -26.8991 3.41371 -12.6784 3.41367 9.49666 42.4362 -12.6784 42.4363 -21.1368 GPRESSAVG: 4454600 -26.7587 1.85232 -12.9261 4.43861 10.5963 40.5978 -14.3268 41.4306 -22.3557 TIMING: 4454600 CPU: 14156.3, 0.00316316/step Wall: 14156.3, 0.00316316/step, 0.479219 hours remaining, 238.410156 MB of memory in use. ENERGY: 4454600 4005.9976 20581.1245 14473.1812 270.6440 -203589.3716 2445.2366 0.0000 0.0000 51969.2854 -109843.9023 298.6682 -161813.1877 -109478.8632 299.0105 -248.4865 -219.3881 760242.4561 -12.8464 -12.8393 PRESSURE: 4454800 -150.754 -159.923 -23.2731 -159.923 -186.474 41.3925 -23.2732 41.392 -31.5503 GPRESSURE: 4454800 -109.279 -34.1435 69.2437 -240.304 -112.182 155.333 -57.098 -4.85388 -54.026 PRESSAVG: 4454800 6.99793 28.7941 -61.6093 28.7941 11.3638 19.3328 -61.6094 19.3329 2.48847 GPRESSAVG: 4454800 7.07402 30.4972 -59.6032 26.6924 10.6855 19.1803 -63.2569 20.6547 3.16848 TIMING: 4454800 CPU: 14156.9, 0.00315469/step Wall: 14156.9, 0.00315469/step, 0.47776 hours remaining, 238.410156 MB of memory in use. ENERGY: 4454800 3943.1153 20532.1941 14495.2996 246.1912 -203261.2014 2269.8087 0.0000 0.0000 51867.7620 -109906.8305 298.0847 -161774.5925 -109532.3879 299.5157 -122.9259 -91.8289 761148.9289 6.9501 6.9760 PRESSURE: 4455000 -357.535 54.604 224.598 54.6039 1.34214 94.0616 224.598 94.0618 -314.302 GPRESSURE: 4455000 -324.19 -13.8978 269.132 105.21 39.5895 109.331 149.342 183.555 -295.782 PRESSAVG: 4455000 -38.111 -31.0364 -30.7235 -31.0363 40.7312 47.7648 -30.7235 47.7649 -13.9133 GPRESSAVG: 4455000 -37.3536 -32.8112 -31.3766 -29.5367 40.7181 48.6669 -29.1123 47.5936 -14.8182 TIMING: 4455000 CPU: 14157.6, 0.00315206/step Wall: 14157.6, 0.00315206/step, 0.477187 hours remaining, 238.410156 MB of memory in use. ENERGY: 4455000 3960.9205 20504.7565 14469.7023 224.2219 -203692.6439 2509.5860 0.0000 0.0000 52134.6864 -109888.7703 299.6188 -162023.4567 -109519.3043 299.1286 -223.4985 -193.4607 761760.8780 -3.7644 -3.8179 PRESSURE: 4455200 232.584 52.532 -11.2858 52.5319 92.9165 71.4142 -11.2851 71.4142 -116.312 GPRESSURE: 4455200 202.786 -24.1056 -45.8053 -2.04572 188.955 70.5902 -98.1869 112.329 -88.1724 PRESSAVG: 4455200 -13.4431 -5.76397 -33.4562 -5.76397 5.89226 27.3227 -33.4562 27.3226 6.9145 GPRESSAVG: 4455200 -14.3579 -4.35736 -34.6644 -6.4839 6.24777 27.7043 -33.5192 25.675 7.55903 TIMING: 4455200 CPU: 14158.2, 0.00315608/step Wall: 14158.2, 0.00315608/step, 0.47762 hours remaining, 238.410156 MB of memory in use. ENERGY: 4455200 3950.9993 20477.8670 14493.8709 238.7074 -203901.9547 2658.3857 0.0000 0.0000 52061.1721 -110020.9522 299.1963 -162082.1244 -109655.2665 298.8376 69.7296 101.1894 760950.9109 -0.2121 -0.1837 PRESSURE: 4455400 150.872 -78.0753 9.58745 -78.0751 -36.4543 -118.839 9.58635 -118.84 -44.1903 GPRESSURE: 4455400 178.172 7.46619 107.591 -152.592 -42.7744 -1.91572 59.1327 -18.9469 7.71714 PRESSAVG: 4455400 19.5125 -5.26165 -10.7537 -5.26163 46.4919 -23.8647 -10.7537 -23.8646 8.80188 GPRESSAVG: 4455400 19.3646 -5.44202 -10.3509 -5.23969 46.5189 -23.1715 -9.66649 -22.8104 8.9077 TIMING: 4455400 CPU: 14158.8, 0.00316197/step Wall: 14158.8, 0.00316197/step, 0.478336 hours remaining, 238.410156 MB of memory in use. ENERGY: 4455400 4040.8472 20504.4350 14394.0290 257.4224 -203790.4377 2645.9198 0.0000 0.0000 51832.7957 -110114.9885 297.8838 -161947.7842 -109741.6467 298.3982 23.4092 47.7049 760563.9554 24.9354 24.9304 PRESSURE: 4455600 257.269 106.28 77.3035 106.28 -29.3524 -69.3428 77.3039 -69.3425 -246.666 GPRESSURE: 4455600 203.346 77.3926 64.0827 125.822 104.512 -126.106 171.818 -68.2054 -251.61 PRESSAVG: 4455600 55.9806 18.9089 41.983 18.9089 -70.8914 -22.5801 41.983 -22.5801 -1.06438 GPRESSAVG: 4455600 56.0444 17.9754 40.9105 19.8467 -71.8205 -25.0067 41.6692 -20.9906 -0.797338 TIMING: 4455600 CPU: 14159.5, 0.00317086/step Wall: 14159.5, 0.00317086/step, 0.479504 hours remaining, 238.410156 MB of memory in use. ENERGY: 4455600 3997.3675 20386.2245 14423.2189 230.7431 -204242.6033 3028.7975 0.0000 0.0000 52019.6445 -110156.6074 298.9576 -162176.2519 -109794.8714 297.9591 -6.2500 18.7495 759448.8616 -5.3251 -5.5245 PRESSURE: 4455800 23.919 15.1808 183.704 15.1799 -42.8345 98.8137 183.703 98.8139 -111.049 GPRESSURE: 4455800 -78.1626 77.0112 186.083 -88.0575 66.601 120.753 102.035 133.193 -12.6548 PRESSAVG: 4455800 81.3677 13.5932 4.34197 13.5932 -59.4446 -24.4824 4.34198 -24.4825 -3.47435 GPRESSAVG: 4455800 80.5662 13.4015 4.64176 11.6335 -58.1877 -23.1349 4.62082 -26.6159 -3.95849 TIMING: 4455800 CPU: 14160.1, 0.00315458/step Wall: 14160.1, 0.00315458/step, 0.476867 hours remaining, 238.410156 MB of memory in use. ENERGY: 4455800 3999.5591 20412.8352 14419.3608 242.6495 -203523.1087 2450.3285 0.0000 0.0000 51982.9256 -110015.4501 298.7466 -161998.3757 -109660.1846 298.0875 -43.3216 -8.0721 760197.0720 6.1496 6.1400 PRESSURE: 4456000 140.183 171.906 112.441 171.906 25.6173 -73.4091 112.441 -73.4097 -18.4512 GPRESSURE: 4456000 152.916 155.189 90.5705 212.319 22.3201 -213.743 105.732 14.5424 51.2566 PRESSAVG: 4456000 11.2217 -9.42586 -45.9976 -9.42586 -8.07684 -21.1157 -45.9976 -21.1158 -23.3589 GPRESSAVG: 4456000 11.8536 -9.55864 -44.1592 -8.16624 -9.75576 -20.0375 -49.152 -21.3703 -23.4332 TIMING: 4456000 CPU: 14160.7, 0.00315106/step Wall: 14160.7, 0.00315106/step, 0.47616 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4456000 4003.2608 20522.4905 14325.8135 225.6818 -203604.1407 2530.9934 0.0000 0.0000 51787.9928 -110207.9079 297.6263 -161995.9007 -109849.4974 298.1706 49.1162 75.4975 760497.4745 -6.7380 -7.1118 PRESSURE: 4456200 85.9173 -41.0601 -215.333 -41.0595 70.1895 -129.572 -215.333 -129.572 -133.645 GPRESSURE: 4456200 145.142 23.1477 -223.204 84.7496 79.4608 -126.234 -156.455 -27.9307 -124.689 PRESSAVG: 4456200 -17.6697 6.51854 -10.9874 6.51858 -1.80975 -39.0741 -10.9874 -39.0741 -23.9064 GPRESSAVG: 4456200 -18.0205 9.53369 -13.5581 4.90601 -0.842213 -39.4154 -8.10663 -38.1409 -24.8294 TIMING: 4456200 CPU: 14161.3, 0.00316545/step Wall: 14161.3, 0.00316545/step, 0.478159 hours remaining, 238.410156 MB of memory in use. ENERGY: 4456200 3972.5561 20563.3816 14351.2810 232.0435 -203966.9841 2930.5777 0.0000 0.0000 51748.4250 -110168.7191 297.3989 -161917.1442 -109819.6043 297.8459 7.4873 33.3048 761605.3924 -14.4619 -14.5640 LDB: ============= START OF LOAD BALANCING ============== 14173.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14173.7 LDB: =============== DONE WITH MIGRATION ================ 14173.8 LDB: ============= START OF LOAD BALANCING ============== 14174.1 LDB: Largest compute 7057 load 0.036141 is 18.4% of average load 0.195985 LDB: Average compute 0.004402 is 2.2% of average load 0.195985 LDB: TIME 14174.1 LOAD: AVG 0.195985 MAX 0.21641 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.984 MB LDB: TIME 14174.1 LOAD: AVG 0.195985 MAX 0.21641 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.078 MB LDB: TIME 14174.1 LOAD: AVG 0.195985 MAX 0.21641 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.078 MB LDB: ============== END OF LOAD BALANCING =============== 14174.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14174.1 PRESSURE: 4456400 -25.6019 122.455 -145.375 122.454 11.3732 2.91563 -145.375 2.91656 235.772 GPRESSURE: 4456400 35.7034 91.1597 -123.164 261.436 26.1146 54.9118 -164.541 -87.6821 236.911 PRESSAVG: 4456400 44.6504 52.3327 -23.4207 52.3326 -58.7422 -17.1544 -23.4207 -17.1544 18.9479 GPRESSAVG: 4456400 44.6542 51.3203 -21.977 53.1484 -59.7381 -18.4342 -25.3904 -16.6797 19.5526 TIMING: 4456400 CPU: 14162, 0.00323599/step Wall: 14162, 0.00323599/step, 0.488634 hours remaining, 238.152344 MB of memory in use. ENERGY: 4456400 3921.5415 20632.4258 14407.9413 233.8120 -203717.3501 2430.2282 0.0000 0.0000 51924.8142 -110166.5871 298.4126 -162091.4013 -109813.0180 297.9871 73.8477 99.5764 760856.1991 1.6187 1.4896 PRESSURE: 4456600 240.403 97.2538 18.4834 97.2539 -107.13 212.68 18.4831 212.679 -60.0726 GPRESSURE: 4456600 241.492 14.5663 -35.3447 -16.5908 -111.365 121.533 129.539 184.631 44.8645 PRESSAVG: 4456600 20.8629 -5.0514 -17.8727 -5.05141 -19.6736 41.1428 -17.8727 41.1428 -9.3304 GPRESSAVG: 4456600 22.0177 -5.02826 -18.373 -4.5907 -20.6166 40.8656 -16.3542 40.6716 -9.09632 TIMING: 4456600 CPU: 14162.6, 0.0031662/step Wall: 14162.6, 0.0031662/step, 0.477921 hours remaining, 238.152344 MB of memory in use. ENERGY: 4456600 3979.1411 20613.3186 14437.7912 238.7629 -203838.7499 2468.6516 0.0000 0.0000 51906.9381 -110194.1464 298.3099 -162101.0845 -109832.9280 298.4949 24.4001 58.3303 758088.7121 -2.7137 -2.5651 PRESSURE: 4456800 -85.7735 -67.5706 262.855 -67.5701 -294.997 237.58 262.854 237.58 115.105 GPRESSURE: 4456800 -104.862 -63.4286 231.421 -29.7826 -225.065 259.525 286.756 99.1153 144.491 PRESSAVG: 4456800 23.0298 11.2478 -14.9981 11.2479 7.81761 47.4788 -14.9981 47.4789 5.94176 GPRESSAVG: 4456800 21.3611 11.0858 -14.3028 9.06056 9.41833 48.064 -15.6702 46.1214 5.92213 TIMING: 4456800 CPU: 14163.3, 0.00316418/step Wall: 14163.3, 0.00316418/step, 0.47744 hours remaining, 238.152344 MB of memory in use. ENERGY: 4456800 4011.3767 20574.7546 14450.8227 245.1807 -203918.9806 2428.4374 0.0000 0.0000 51938.0929 -110270.3157 298.4889 -162208.4085 -109906.5437 298.1231 -88.5551 -61.8119 759275.5228 12.2630 12.2339 PRESSURE: 4457000 4.61182 75.2486 26.538 75.2487 328.935 200.529 26.5372 200.527 -329.607 GPRESSURE: 4457000 11.2277 151.704 15.0368 140.096 352.652 165.971 80.042 219.91 -294.558 PRESSAVG: 4457000 23.1302 -34.3669 -42.378 -34.367 -24.921 -9.22705 -42.3781 -9.22705 2.78313 GPRESSAVG: 4457000 25.2936 -33.7184 -43.8665 -31.7909 -26.8405 -8.55909 -43.9957 -7.49443 2.14187 TIMING: 4457000 CPU: 14163.9, 0.0031611/step Wall: 14163.9, 0.0031611/step, 0.476799 hours remaining, 238.152344 MB of memory in use. ENERGY: 4457000 4026.3215 20592.1051 14497.8805 244.5396 -204141.6639 2682.5492 0.0000 0.0000 51780.8434 -110317.4246 297.5852 -162098.2679 -109961.3506 297.9674 1.3133 23.1074 759497.1935 0.3308 0.1983 PRESSURE: 4457200 -112.306 -37.1082 64.1274 -37.1075 -238.846 240.216 64.1284 240.215 -60.987 GPRESSURE: 4457200 -137.711 26.9002 29.3706 -144.599 -151.681 200.525 103.01 205.095 -40.8757 PRESSAVG: 4457200 -23.4355 -58.2439 -5.76256 -58.2439 -22.5733 -42.2566 -5.76258 -42.2567 24.9434 GPRESSAVG: 4457200 -25.733 -58.2588 -3.17086 -58.3201 -20.7758 -41.9577 -5.63847 -44.562 25.0869 TIMING: 4457200 CPU: 14164.5, 0.0031573/step Wall: 14164.5, 0.0031573/step, 0.476051 hours remaining, 238.152344 MB of memory in use. ENERGY: 4457200 3961.2686 20284.3464 14435.4646 243.0522 -203993.1958 2631.2689 0.0000 0.0000 52076.7085 -110361.0866 299.2856 -162437.7951 -109981.1866 297.7749 -137.3797 -110.0891 760289.3436 -7.0218 -7.1407 PRESSURE: 4457400 -69.6087 13.3534 -275.426 13.3538 -216.697 144.756 -275.427 144.756 -8.07746 GPRESSURE: 4457400 -51.1335 12.6745 -221.011 107.568 -200.729 159.807 -286.898 170.023 53.6798 PRESSAVG: 4457400 -16.1021 -13.3313 -36.3395 -13.3313 32.3724 60.1006 -36.3395 60.1006 -12.7401 GPRESSAVG: 4457400 -15.8205 -14.7531 -37.7121 -12.3037 32.2086 60.426 -36.4546 62.7788 -12.804 TIMING: 4457400 CPU: 14165.2, 0.00314049/step Wall: 14165.2, 0.00314049/step, 0.473342 hours remaining, 238.152344 MB of memory in use. ENERGY: 4457400 4030.2918 20431.5348 14383.8825 241.3808 -204095.9230 2495.8818 0.0000 0.0000 51928.1112 -110584.8401 298.4316 -162512.9512 -110210.2305 297.6921 -98.1276 -66.0611 759188.9953 1.1767 1.1947 PRESSURE: 4457600 82.8228 -160.143 31.5157 -160.143 44.1888 -2.06587 31.5155 -2.06588 -262.99 GPRESSURE: 4457600 110.277 -136.487 121.383 -164.836 56.5837 11.2748 29.181 -158.533 -236.94 PRESSAVG: 4457600 1.91227 -65.1498 -43.3909 -65.1499 -9.80276 39.5696 -43.3909 39.5695 19.8171 GPRESSAVG: 4457600 1.75171 -65.6868 -42.1828 -66.034 -9.7132 38.3223 -42.1484 38.5566 20.07 TIMING: 4457600 CPU: 14165.8, 0.00315177/step Wall: 14165.8, 0.00315177/step, 0.474867 hours remaining, 238.152344 MB of memory in use. ENERGY: 4457600 4016.9269 20687.1300 14381.8882 245.8277 -204105.6748 2558.8813 0.0000 0.0000 51702.9744 -110512.0463 297.1377 -162215.0206 -110154.6013 297.8458 -45.3260 -23.3599 758316.2177 3.9755 4.0362 PRESSURE: 4457800 -63.9973 -61.5863 39.8794 -61.5872 -53.7385 209.309 39.8787 209.309 148.764 GPRESSURE: 4457800 -64.4311 -21.0054 75.5723 -43.8061 -28.4255 315.8 31.6624 181.76 216.854 PRESSAVG: 4457800 30.4092 -16.1347 -22.3216 -16.1346 -30.0966 2.82589 -22.3216 2.82582 3.17367 GPRESSAVG: 4457800 31.4568 -14.252 -24.8261 -16.5344 -30.931 4.07368 -21.0558 1.42711 3.49561 TIMING: 4457800 CPU: 14166.4, 0.0031396/step Wall: 14166.4, 0.0031396/step, 0.472859 hours remaining, 238.152344 MB of memory in use. ENERGY: 4457800 3948.6658 20632.8545 14424.0994 241.0602 -204139.1067 2586.7982 0.0000 0.0000 51801.2452 -110504.3833 297.7025 -162305.6285 -110137.4547 298.0911 10.3427 41.3324 758353.5467 1.1621 1.3405 PRESSURE: 4458000 120.318 -212.598 155.98 -212.598 -300.135 104.792 155.98 104.792 -294.659 GPRESSURE: 4458000 141.917 -206.679 172.267 -247.077 -234.426 31.817 17.7144 210.977 -296.714 PRESSAVG: 4458000 43.6461 -44.1901 30.3838 -44.1902 -2.35222 41.6053 30.3838 41.6054 -25.9176 GPRESSAVG: 4458000 42.6691 -45.244 32.2378 -44.125 -1.75361 40.0373 29.3328 42.7589 -25.2703 TIMING: 4458000 CPU: 14167, 0.00314712/step Wall: 14167, 0.00314712/step, 0.473816 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4458000 3962.4205 20486.2630 14407.4456 262.3952 -204001.3120 2434.9111 0.0000 0.0000 51991.2814 -110456.5952 298.7946 -162447.8766 -110086.4247 298.0833 -158.1586 -129.7409 759495.3911 5.1254 5.2151 PRESSURE: 4458200 247.242 -52.1603 2.06824 -52.1616 -253.39 100.988 2.06825 100.988 -101.895 GPRESSURE: 4458200 267.449 -15.0303 -7.34873 -45.7071 -176.521 22.0854 41.0745 -0.171612 -106.731 PRESSAVG: 4458200 -0.271991 -5.55598 46.0831 -5.5559 -44.0797 -3.61661 46.0832 -3.61652 -0.831733 GPRESSAVG: 4458200 1.99711 -4.56916 44.9972 -6.8924 -44.3565 -3.38293 45.3979 -3.87066 -2.55734 TIMING: 4458200 CPU: 14167.7, 0.00316167/step Wall: 14167.7, 0.00316167/step, 0.475832 hours remaining, 238.152344 MB of memory in use. ENERGY: 4458200 3964.4179 20592.2181 14440.6579 256.1639 -204023.5474 2680.6359 0.0000 0.0000 51980.9474 -110108.5063 298.7352 -162089.4537 -109750.5094 298.3984 -36.0144 -5.2674 758875.7414 -15.0611 -14.9723 PRESSURE: 4458400 -343.146 68.7525 -200.885 68.7519 -412.141 -86.2715 -200.885 -86.2719 31.9653 GPRESSURE: 4458400 -329.722 86.7334 -116.472 58.081 -317.283 -75.8731 7.56585 3.76739 -17.5814 PRESSAVG: 4458400 12.229 -5.08864 -3.73619 -5.08866 34.297 18.871 -3.73622 18.871 4.55615 GPRESSAVG: 4458400 8.43197 -5.93327 -2.75057 -4.7061 36.5506 19.2632 -3.46818 20.4031 5.52088 TIMING: 4458400 CPU: 14168.3, 0.00315519/step Wall: 14168.3, 0.00315519/step, 0.47468 hours remaining, 238.152344 MB of memory in use. ENERGY: 4458400 4018.7389 20493.5201 14425.3344 239.8187 -203843.2997 2377.0336 0.0000 0.0000 52108.9774 -110179.8766 299.4710 -162288.8540 -109820.3870 298.5304 -241.1073 -221.5290 760229.9556 17.0274 16.8345 PRESSURE: 4458600 -274.345 -8.98631 224.069 -8.98668 -191.148 312.695 224.069 312.694 -510.724 GPRESSURE: 4458600 -193.404 -70.682 169.053 -4.34009 -182.822 228.164 79.5828 179.089 -504.726 PRESSAVG: 4458600 2.34591 -62.2324 -47.4497 -62.2324 -15.7983 6.0818 -47.4497 6.08175 3.35716 GPRESSAVG: 4458600 3.49304 -62.2293 -49.2278 -62.6897 -16.1159 5.33985 -47.3806 5.24141 2.61292 TIMING: 4458600 CPU: 14168.9, 0.00315381/step Wall: 14168.9, 0.00315381/step, 0.474298 hours remaining, 238.152344 MB of memory in use. ENERGY: 4458600 4037.3120 20499.8792 14446.1352 232.2551 -203466.4801 2333.7077 0.0000 0.0000 51941.7532 -109975.4376 298.5100 -161917.1909 -109607.7164 298.0733 -325.4059 -293.6509 761826.5488 -3.3651 -3.3366 PRESSURE: 4458800 -216.429 20.1645 -31.7317 20.1644 -217.765 51.093 -31.7318 51.0923 -47.6458 GPRESSURE: 4458800 -68.3633 54.0512 -49.9857 56.6059 -255.701 167.986 -37.5163 42.1706 -36.4899 PRESSAVG: 4458800 3.39277 -41.6829 -115.036 -41.683 8.46569 7.35431 -115.036 7.35439 31.821 GPRESSAVG: 4458800 5.31974 -42.2577 -113.279 -39.8225 7.57241 6.95857 -115.445 8.4348 31.3129 TIMING: 4458800 CPU: 14169.6, 0.00314658/step Wall: 14169.6, 0.00314658/step, 0.473036 hours remaining, 238.152344 MB of memory in use. ENERGY: 4458800 4030.9787 20584.5978 14471.0608 264.9942 -203709.3249 2409.1993 0.0000 0.0000 52048.4799 -109900.0143 299.1233 -161948.4942 -109534.3951 298.8396 -160.6134 -120.1847 758659.2110 14.5598 14.7350 PRESSURE: 4459000 275.799 -30.3795 125.608 -30.3806 33.8069 -170.156 125.609 -170.155 -253.831 GPRESSURE: 4459000 292.161 -27.4573 94.156 -7.73286 95.6481 -166.061 127.302 -213.563 -249.581 PRESSAVG: 4459000 -25.9675 -26.3714 -51.026 -26.3714 35.2735 33.6707 -51.026 33.6706 11.6915 GPRESSAVG: 4459000 -27.3495 -25.7953 -53.0546 -28.7051 35.4092 34.7941 -50.6904 30.9974 12.7326 TIMING: 4459000 CPU: 14170.2, 0.00315009/step Wall: 14170.2, 0.00315009/step, 0.473389 hours remaining, 238.152344 MB of memory in use. ENERGY: 4459000 4020.3660 20465.5265 14473.3435 254.6973 -204162.7545 3007.7444 0.0000 0.0000 52007.4629 -109933.6139 298.8876 -161941.0768 -109578.4250 298.8391 18.5914 46.0758 760399.0365 6.9992 6.9307 PRESSURE: 4459200 -173.485 13.4937 -55.7529 13.4943 -95.9127 -275.073 -55.7524 -275.073 -403.414 GPRESSURE: 4459200 -97.9783 -68.0291 -50.968 21.0284 -157.492 -275.165 -38.8873 -115.12 -322.285 PRESSAVG: 4459200 -57.2066 7.49742 2.06913 7.49744 28.5958 -10.3826 2.06914 -10.3826 -19.4716 GPRESSAVG: 4459200 -57.8262 7.62578 2.69063 8.63269 28.3102 -9.87831 1.4443 -7.68121 -18.9567 TIMING: 4459200 CPU: 14170.8, 0.00313547/step Wall: 14170.8, 0.00313547/step, 0.471018 hours remaining, 238.152344 MB of memory in use. ENERGY: 4459200 4041.1112 20570.0599 14487.1216 244.4001 -203666.9027 2531.7020 0.0000 0.0000 51883.7417 -109908.7662 298.1766 -161792.5079 -109540.7663 298.5659 -224.2707 -192.5851 760229.2404 -16.0275 -16.1576 PRESSURE: 4459400 -112.058 -174.125 90.2098 -174.125 253.336 202.881 90.21 202.881 103.542 GPRESSURE: 4459400 -8.94906 -68.5248 111.727 -226.437 218.398 275.177 166.575 139.739 109.286 PRESSAVG: 4459400 73.9075 10.7968 2.72652 10.7967 -77.6182 18.8298 2.7265 18.8298 10.2118 GPRESSAVG: 4459400 74.4046 10.5665 3.78263 11.5651 -77.9996 17.2286 3.35405 18.6208 9.76604 TIMING: 4459400 CPU: 14171.5, 0.00315377/step Wall: 14171.5, 0.00315377/step, 0.473591 hours remaining, 238.152344 MB of memory in use. ENERGY: 4459400 3955.4582 20744.0147 14485.6380 228.9861 -204048.4777 2779.5083 0.0000 0.0000 51842.7537 -110012.1188 297.9410 -161854.8725 -109654.7459 298.6998 81.6066 106.2451 760346.3615 2.1670 2.0570 PRESSURE: 4459600 -514.42 77.0717 -33.0898 77.0728 -492.992 94.7291 -33.0899 94.7297 -1.35862 GPRESSURE: 4459600 -448.922 62.3006 -60.1536 52.8823 -388.975 81.7337 15.4281 59.4822 -76.9229 PRESSAVG: 4459600 33.8339 16.7332 -29.9174 16.7332 -2.0911 -3.79764 -29.9174 -3.79761 -28.4305 GPRESSAVG: 4459600 33.4335 15.0491 -30.5668 16.5257 -1.65467 -3.94408 -30.1681 -3.65998 -27.9129 TIMING: 4459600 CPU: 14172.1, 0.00316158/step Wall: 14172.1, 0.00316158/step, 0.474588 hours remaining, 238.152344 MB of memory in use. ENERGY: 4459600 3997.3913 20550.9876 14406.5701 244.8987 -203573.6820 2476.6072 0.0000 0.0000 51874.5711 -110022.6560 298.1239 -161897.2271 -109663.5633 298.8332 -336.2569 -304.9400 760588.1015 1.1041 1.2887 PRESSURE: 4459800 118.23 -252.524 -145.094 -252.525 302.323 122.313 -145.094 122.314 -157.182 GPRESSURE: 4459800 150.788 -115.801 -124.222 -194.728 313.932 83.8441 -170.134 103.492 -123.059 PRESSAVG: 4459800 14.3806 -3.16836 -46.3626 -3.16833 -11.7891 -54.2816 -46.3626 -54.2815 34.7013 GPRESSAVG: 4459800 15.5111 -4.23351 -46.6208 -2.78624 -12.9262 -55.1569 -44.2082 -53.9498 33.7721 TIMING: 4459800 CPU: 14172.7, 0.0031487/step Wall: 14172.7, 0.0031487/step, 0.47248 hours remaining, 238.152344 MB of memory in use. ENERGY: 4459800 4013.5102 20412.5524 14438.7960 232.8978 -203859.1792 2981.8550 0.0000 0.0000 51972.0264 -109807.5414 298.6839 -161779.5678 -109445.8687 298.5344 87.7901 113.8870 759988.4061 12.4309 12.1190 PRESSURE: 4460000 -502.6 -80.7048 -125.392 -80.7056 244.976 120.17 -125.392 120.17 89.0138 GPRESSURE: 4460000 -421.369 -103.311 -110.674 -2.76289 256.864 45.2616 -207.501 52.436 98.8238 PRESSAVG: 4460000 -51.4603 -30.977 13.9526 -30.977 79.3614 -45.4209 13.9525 -45.4209 -20.7275 GPRESSAVG: 4460000 -51.4393 -31.047 15.3476 -30.4136 79.9332 -42.5259 12.0297 -48.4997 -21.1344 TIMING: 4460000 CPU: 14173.3, 0.00315141/step Wall: 14173.3, 0.00315141/step, 0.472712 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4460000 4039.7786 20495.5720 14430.6379 252.3023 -203817.7293 2676.8221 0.0000 0.0000 52473.3288 -109449.2876 301.5649 -161922.6164 -109084.0313 299.7143 -56.2036 -21.8937 759654.9508 2.3912 2.4532 PRESSURE: 4460200 -204.166 88.3941 -136.4 88.3936 43.2573 141.029 -136.399 141.031 -216.851 GPRESSURE: 4460200 -214.751 93.7915 -85.2947 9.54191 138.11 112.997 -280.082 109.39 -218.337 PRESSAVG: 4460200 -46.6609 -60.8874 -38.5453 -60.8874 44.3558 5.4281 -38.5453 5.42806 -25.6075 GPRESSAVG: 4460200 -48.7909 -58.7804 -39.7612 -62.6097 45.7141 3.15684 -38.7912 6.9901 -25.2816 TIMING: 4460200 CPU: 14174, 0.00313834/step Wall: 14174, 0.00313834/step, 0.470577 hours remaining, 238.152344 MB of memory in use. ENERGY: 4460200 4087.8572 20362.6425 14446.1042 246.1581 -203532.8973 2495.1248 0.0000 0.0000 52309.1172 -109585.8933 300.6212 -161895.0105 -109216.2101 299.7453 -125.9201 -98.3260 759755.3728 -9.3042 -9.4528 LDB: ============= START OF LOAD BALANCING ============== 14186.4 LDB: ============== END OF LOAD BALANCING =============== 14186.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14186.4 LDB: ============= START OF LOAD BALANCING ============== 14186.7 LDB: Largest compute 7049 load 0.033876 is 17.3% of average load 0.196048 LDB: Average compute 0.004370 is 2.2% of average load 0.196048 LDB: TIME 14186.7 LOAD: AVG 0.196048 MAX 0.216631 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 14186.7 LOAD: AVG 0.196048 MAX 0.216631 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 14186.7 LOAD: AVG 0.196048 MAX 0.216631 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 14186.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14186.7 PRESSURE: 4460400 -350.226 -24.9911 -197.428 -24.993 -371.815 103.854 -197.429 103.853 -45.7279 GPRESSURE: 4460400 -309.477 9.3919 -161.761 86.6569 -324.381 146.721 -162.956 142.099 -58.5626 PRESSAVG: 4460400 2.71267 -57.4266 -20.5606 -57.4267 44.415 -83.1715 -20.5606 -83.1714 21.3985 GPRESSAVG: 4460400 5.40327 -57.0825 -20.6733 -55.003 43.3716 -83.1759 -21.5219 -83.1073 19.5339 TIMING: 4460400 CPU: 14174.6, 0.00320382/step Wall: 14174.6, 0.00320382/step, 0.480217 hours remaining, 237.640625 MB of memory in use. ENERGY: 4460400 3970.3032 20418.7190 14434.6942 229.6256 -203581.7240 2707.0477 0.0000 0.0000 52156.1083 -109665.2261 299.7419 -161821.3344 -109308.0892 299.7749 -255.9232 -230.8069 761726.2218 22.8421 22.7696 PRESSURE: 4460600 85.2159 -246.599 -5.15352 -246.597 -592.873 -145.681 -5.15384 -145.681 -10.7709 GPRESSURE: 4460600 72.9833 -74.1431 -33.0072 -206.428 -487.222 -104.798 -66.7202 -118.61 -4.84992 PRESSAVG: 4460600 -13.7806 -46.4417 -55.0066 -46.4416 -9.75059 7.31175 -55.0066 7.31171 47.1972 GPRESSAVG: 4460600 -15.1034 -46.2574 -53.3293 -50.3675 -10.2261 8.38006 -55.3814 7.41733 48.7245 TIMING: 4460600 CPU: 14175.2, 0.00315009/step Wall: 14175.2, 0.00315009/step, 0.471988 hours remaining, 237.843750 MB of memory in use. ENERGY: 4460600 3939.4777 20493.3878 14452.0469 256.7219 -203277.6690 2339.6112 0.0000 0.0000 52096.5053 -109699.9181 299.3993 -161796.4234 -109341.6210 299.4069 -172.8094 -139.6960 761953.2225 7.8887 7.7984 PRESSURE: 4460800 45.8967 -141.764 -119.305 -141.764 362.569 7.11371 -119.305 7.11334 534.922 GPRESSURE: 4460800 40.408 -104.022 -75.1233 -68.7073 457.498 -64.8671 -143.406 79.3569 542.902 PRESSAVG: 4460800 19.364 -15.2131 4.39981 -15.2131 3.20259 4.51839 4.39982 4.51835 -14.5872 GPRESSAVG: 4460800 18.8906 -13.8201 2.76405 -12.0479 4.01147 2.58133 4.74201 3.51123 -14.8206 TIMING: 4460800 CPU: 14175.9, 0.00315876/step Wall: 14175.9, 0.00315876/step, 0.473112 hours remaining, 237.843750 MB of memory in use. ENERGY: 4460800 3909.4132 20510.0356 14484.1220 261.4221 -203538.6178 2565.2690 0.0000 0.0000 52143.0616 -109665.2943 299.6669 -161808.3559 -109299.3497 299.6928 314.4626 346.9361 760345.7375 2.6598 2.6938 PRESSURE: 4461000 94.8436 148.722 -261.801 148.723 -104.684 -144.291 -261.801 -144.292 45.7621 GPRESSURE: 4461000 129.413 131.522 -173.586 102.577 -8.29027 -79.1942 -201.607 -81.3159 17.9469 PRESSAVG: 4461000 10.7123 -77.5678 -14.0285 -77.5678 39.1541 23.744 -14.0285 23.744 -7.68267 GPRESSAVG: 4461000 12.2137 -80.9538 -12.5342 -77.8307 38.2589 24.1297 -13.1196 24.9699 -7.72242 TIMING: 4461000 CPU: 14176.5, 0.00317616/step Wall: 14176.5, 0.00317616/step, 0.475542 hours remaining, 237.843750 MB of memory in use. ENERGY: 4461000 4056.6953 20350.8092 14452.4434 244.8784 -203806.9491 2743.0875 0.0000 0.0000 52334.1318 -109624.9034 300.7650 -161959.0352 -109252.1105 299.2737 11.9740 46.3566 761683.1149 14.0612 14.2501 PRESSURE: 4461200 141.278 31.0759 201.084 31.0754 -61.2142 -5.77094 201.085 -5.7717 256.084 GPRESSURE: 4461200 230.834 -78.9128 87.7098 74.3262 -47.5339 -14.6397 199.404 -186.1 237.47 PRESSAVG: 4461200 36.6347 15.4721 -28.5752 15.4721 -39.1379 -9.84214 -28.5751 -9.84214 -2.37787 GPRESSAVG: 4461200 35.7237 15.9005 -29.2928 13.8353 -38.2378 -9.0674 -28.8406 -11.0659 -1.67434 TIMING: 4461200 CPU: 14177.1, 0.00319149/step Wall: 14177.1, 0.00319149/step, 0.477659 hours remaining, 237.843750 MB of memory in use. ENERGY: 4461200 3932.3317 20561.4128 14380.7030 243.3725 -203628.3286 2542.1497 0.0000 0.0000 52404.7950 -109563.5640 301.1711 -161968.3590 -109204.2247 299.4974 112.0493 140.2564 760703.5989 -1.6270 -1.3962 PRESSURE: 4461400 47.6296 -37.9459 3.7336 -37.947 -381.071 -198.086 3.7337 -198.085 168.767 GPRESSURE: 4461400 61.6494 -10.7969 -26.5539 1.89243 -322.106 -92.2168 37.2009 -219.541 190.12 PRESSAVG: 4461400 17.1212 -37.7999 -18.9 -37.7999 -0.155526 -34.4308 -18.9 -34.4307 -10.802 GPRESSAVG: 4461400 17.621 -38.088 -18.6349 -34.5847 -0.784759 -35.4416 -18.7315 -33.2817 -11.4377 TIMING: 4461400 CPU: 14177.8, 0.00321465/step Wall: 14177.8, 0.00321465/step, 0.480947 hours remaining, 237.843750 MB of memory in use. ENERGY: 4461400 3953.1830 20519.0627 14364.8407 245.2863 -203238.9348 2401.7310 0.0000 0.0000 51980.1790 -109774.6520 298.7308 -161754.8310 -109409.7118 298.9837 -54.8915 -23.4455 761849.6975 2.0546 1.7995 PRESSURE: 4461600 90.4638 342.116 47.0253 342.117 -21.79 184.487 47.0256 184.486 392.78 GPRESSURE: 4461600 205.082 249.376 58.5921 179.626 10.9028 235.936 20.8994 57.5676 346.236 PRESSAVG: 4461600 22.0573 4.92382 20.1522 4.9238 -8.68669 -11.8589 20.1522 -11.8588 16.2929 GPRESSAVG: 4461600 21.0165 5.24578 19.7516 3.39993 -7.84084 -11.8442 19.2986 -13.921 16.5646 TIMING: 4461600 CPU: 14178.4, 0.00317711/step Wall: 14178.4, 0.00317711/step, 0.475155 hours remaining, 237.843750 MB of memory in use. ENERGY: 4461600 3991.0541 20550.1666 14402.5527 239.2934 -203563.9834 2655.6153 0.0000 0.0000 52233.3354 -109491.9660 300.1857 -161725.3014 -109131.4589 299.2958 153.8181 187.4066 760370.9103 9.8878 9.9134 PRESSURE: 4461800 232.399 142.753 60.9538 142.753 -85.3006 40.2026 60.9529 40.2024 96.585 GPRESSURE: 4461800 286.227 97.4725 -55.5921 65.653 -37.2548 39.224 -36.2209 146.518 59.0053 PRESSAVG: 4461800 21.7318 -5.89205 -8.30906 -5.89201 -24.5174 38.1832 -8.30907 38.1832 -4.69993 GPRESSAVG: 4461800 23.6484 -4.40855 -7.20754 -6.58063 -26.024 39.5264 -9.70267 42.0629 -4.53776 TIMING: 4461800 CPU: 14179.1, 0.00314341/step Wall: 14179.1, 0.00314341/step, 0.46994 hours remaining, 237.843750 MB of memory in use. ENERGY: 4461800 3968.8687 20660.7121 14534.3293 242.2531 -203757.7601 2904.9175 0.0000 0.0000 51958.5936 -109488.0857 298.6068 -161446.6793 -109127.3455 300.0318 81.2278 102.6593 761451.7151 -2.4952 -2.3045 PRESSURE: 4462000 -279.036 11.5751 -76.6037 11.5745 -85.5768 105.981 -76.6034 105.981 -17.5311 GPRESSURE: 4462000 -312.359 31.363 -96.795 34.1177 -20.0395 145.691 3.77202 -44.1933 12.3998 PRESSAVG: 4462000 35.0663 -25.0208 -24.7451 -25.0208 -13.2804 33.1212 -24.7451 33.1212 25.8049 GPRESSAVG: 4462000 35.4134 -26.353 -25.0934 -23.3942 -12.699 33.0573 -22.1877 30.2062 24.5718 TIMING: 4462000 CPU: 14179.7, 0.00315576/step Wall: 14179.7, 0.00315576/step, 0.471611 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4462000 4013.1577 20680.0706 14475.9810 244.7065 -203535.1192 2400.2724 0.0000 0.0000 52100.7818 -109620.1491 299.4239 -161720.9309 -109258.9335 299.8376 -127.3812 -106.6661 763031.2960 15.8636 15.7621 PRESSURE: 4462200 28.3693 68.0079 -183.559 68.0078 -592.277 -26.2852 -183.56 -26.2853 -3.81186 GPRESSURE: 4462200 20.5706 -14.9412 -175.293 126.304 -510.017 -36.9376 -266.362 4.13448 -4.49198 PRESSAVG: 4462200 3.65691 -2.29515 0.81059 -2.29516 -22.3003 -33.3324 0.810493 -33.3324 -11.23 GPRESSAVG: 4462200 3.64085 -2.54254 0.334963 -3.69751 -22.7076 -34.2214 1.85219 -32.633 -10.796 TIMING: 4462200 CPU: 14180.3, 0.00316594/step Wall: 14180.3, 0.00316594/step, 0.472957 hours remaining, 237.843750 MB of memory in use. ENERGY: 4462200 4067.8546 20753.4648 14450.1677 265.2119 -203600.9985 2591.8411 0.0000 0.0000 52082.4839 -109389.9745 299.3188 -161472.4584 -109040.4949 299.9735 -189.2399 -164.6460 761673.9968 -9.9578 -9.9542 PRESSURE: 4462400 -232.72 -145.734 212.048 -145.734 -63.8792 -86.8346 212.048 -86.8345 167.23 GPRESSURE: 4462400 -210.741 -160.062 140.824 -134.743 -13.1936 -12.9306 115.945 2.11224 181.398 PRESSAVG: 4462400 9.34176 -43.7995 -3.17665 -43.7994 12.807 -24.9128 -3.17665 -24.9128 24.1731 GPRESSAVG: 4462400 7.59186 -40.4912 -3.17708 -44.6698 13.1467 -24.4854 -6.41385 -25.678 25.4014 TIMING: 4462400 CPU: 14180.9, 0.00314165/step Wall: 14180.9, 0.00314165/step, 0.469153 hours remaining, 237.843750 MB of memory in use. ENERGY: 4462400 3985.3586 20657.6946 14499.0253 236.8046 -203544.8589 2655.8675 0.0000 0.0000 52071.3702 -109438.7382 299.2549 -161510.1084 -109081.9562 299.6851 -43.1231 -14.1790 762204.5756 15.4406 15.3800 PRESSURE: 4462600 -316.333 15.5362 -169.784 15.5362 265.114 -63.354 -169.784 -63.3533 214.239 GPRESSURE: 4462600 -170.847 -16.3581 -239.459 32.2434 287.604 73.2778 -165.504 -103.5 148.137 PRESSAVG: 4462600 -30.4315 -43.3083 -1.62878 -43.3083 9.96142 -4.62326 -1.62887 -4.62329 -5.06873 GPRESSAVG: 4462600 -27.5277 -45.5254 -4.09207 -41.3037 9.22267 -4.92732 -0.256083 -2.3613 -6.99713 TIMING: 4462600 CPU: 14181.6, 0.00314202/step Wall: 14181.6, 0.00314202/step, 0.469033 hours remaining, 237.843750 MB of memory in use. ENERGY: 4462600 3967.7450 20499.9926 14444.7079 230.8011 -203578.4847 2543.9898 0.0000 0.0000 52256.0773 -109635.1710 300.3164 -161891.2483 -109265.1758 299.1465 54.3399 88.2981 762250.7920 -8.5129 -8.4340 PRESSURE: 4462800 -136.717 -19.0937 -67.2938 -19.0942 212.103 20.4147 -67.2933 20.4135 -212.406 GPRESSURE: 4462800 -69.2654 -10.372 -85.8909 -2.55841 132.688 -31.1607 -48.8235 39.5021 -141.909 PRESSAVG: 4462800 -11.5738 4.42776 25.2654 4.4278 -9.3178 9.87217 25.2654 9.87217 -29.3242 GPRESSAVG: 4462800 -11.4922 3.9765 26.0994 3.95314 -8.25265 10.0804 25.4316 6.79241 -30.3666 TIMING: 4462800 CPU: 14182.2, 0.0031455/step Wall: 14182.2, 0.0031455/step, 0.469379 hours remaining, 237.843750 MB of memory in use. ENERGY: 4462800 3929.0325 20913.3066 14409.1429 242.2121 -203636.9402 2528.4536 0.0000 0.0000 52248.1059 -109366.6867 300.2706 -161614.7926 -109012.2240 299.6029 -45.6732 -26.1619 762870.5544 -16.7386 -16.7038 PRESSURE: 4463000 -73.9273 32.0024 -161.969 32.0029 -297.607 -16.4887 -161.968 -16.4901 -449.405 GPRESSURE: 4463000 24.0659 21.9041 -178.962 147.443 -326.132 -93.7672 -48.1161 -27.3225 -420.56 PRESSAVG: 4463000 8.33266 -39.0249 -34.885 -39.0249 33.4934 41.0342 -34.885 41.0342 23.4689 GPRESSAVG: 4463000 8.37849 -39.1091 -34.3466 -38.827 32.5183 40.373 -33.7363 41.3833 24.3323 TIMING: 4463000 CPU: 14182.8, 0.0031666/step Wall: 14182.8, 0.0031666/step, 0.472352 hours remaining, 237.843750 MB of memory in use. ENERGY: 4463000 3988.1935 20706.1395 14342.8681 273.1772 -203454.2159 2439.8568 0.0000 0.0000 52383.5956 -109320.3850 301.0492 -161703.9807 -108957.2799 300.3694 -273.6465 -240.8752 761279.4753 21.7650 21.7431 PRESSURE: 4463200 176.186 -22.3403 -9.38187 -22.3401 92.3129 1.03669 -9.38171 1.0362 217.158 GPRESSURE: 4463200 79.4277 47.4445 -73.3256 -133.667 242.702 -112.115 -71.7379 15.6391 240.356 PRESSAVG: 4463200 8.05391 -6.95166 5.26864 -6.95168 -3.33741 10.7944 5.2687 10.7944 -8.48001 GPRESSAVG: 4463200 7.39037 -5.44453 5.06351 -6.02563 -3.14443 10.7047 4.20908 12.8408 -8.0035 TIMING: 4463200 CPU: 14183.5, 0.00316241/step Wall: 14183.5, 0.00316241/step, 0.471551 hours remaining, 237.843750 MB of memory in use. ENERGY: 4463200 4000.8341 20524.9236 14355.5464 237.4129 -203359.9850 2653.1021 0.0000 0.0000 52295.4913 -109292.6746 300.5429 -161588.1659 -108922.0795 300.1545 161.8856 187.4951 760475.0647 -1.2545 -1.2525 PRESSURE: 4463400 -69.9865 -191.004 -235.143 -191.005 -95.8466 38.9169 -235.143 38.9167 -257.5 GPRESSURE: 4463400 -58.4826 -130.48 -224.257 -164.185 -26.5423 -0.859232 -189.018 42.4485 -239.024 PRESSAVG: 4463400 71.81 -41.0977 -0.81786 -41.0977 -43.1316 49.8574 -0.817891 49.8574 -14.1134 GPRESSAVG: 4463400 72.0301 -41.4259 -0.658052 -44.7875 -42.9785 49.5865 -0.613084 49.7373 -14.4605 TIMING: 4463400 CPU: 14184.1, 0.0031754/step Wall: 14184.1, 0.0031754/step, 0.473311 hours remaining, 237.843750 MB of memory in use. ENERGY: 4463400 3984.2190 20671.1883 14348.6590 248.0847 -203050.5804 2343.2188 0.0000 0.0000 52117.7588 -109337.4518 299.5215 -161455.2106 -108971.3845 300.2040 -141.1112 -108.0163 760576.5731 4.8550 4.8637 PRESSURE: 4463600 298.51 -154.317 172.147 -154.317 261.375 35.3032 172.148 35.3035 -170.034 GPRESSURE: 4463600 381.544 -126.872 164.58 -156.289 283.024 93.6994 100.334 57.8435 -182.206 PRESSAVG: 4463600 18.5283 -72.486 -24.9937 -72.486 -5.65977 74.1775 -24.9938 74.1775 16.3696 GPRESSAVG: 4463600 19.1163 -75.2262 -24.0885 -69.4908 -7.02046 73.5038 -24.9893 74.8562 17.5762 TIMING: 4463600 CPU: 14184.7, 0.00318641/step Wall: 14184.7, 0.00318641/step, 0.474774 hours remaining, 237.843750 MB of memory in use. ENERGY: 4463600 3977.2790 20521.8881 14445.9423 257.2327 -203586.8126 2691.3996 0.0000 0.0000 52258.4020 -109434.6689 300.3298 -161693.0708 -109057.7753 299.9971 129.9500 160.7875 761172.2389 9.7460 9.8907 PRESSURE: 4463800 280.366 -71.6885 -100.991 -71.6898 83.7784 7.32199 -100.992 7.32322 162.495 GPRESSURE: 4463800 330.546 -61.8429 -103.694 -113.561 123.499 -5.73463 -118.145 5.13016 148.839 PRESSAVG: 4463800 10.397 20.3708 -24.1162 20.3707 -16.5877 46.62 -24.1163 46.6201 10.018 GPRESSAVG: 4463800 10.9569 21.8587 -26.4989 20.6185 -17.0056 46.7677 -25.1274 44.9542 9.45159 TIMING: 4463800 CPU: 14185.4, 0.00316783/step Wall: 14185.4, 0.00316783/step, 0.471831 hours remaining, 237.843750 MB of memory in use. ENERGY: 4463800 3944.3308 20611.2866 14392.4026 247.8390 -203104.5129 2342.7059 0.0000 0.0000 52028.6213 -109537.3267 299.0092 -161565.9479 -109177.5546 299.5025 175.5465 200.9611 759982.7470 1.2758 1.1343 PRESSURE: 4464000 587.881 -116.391 268.399 -116.391 111.765 134.941 268.398 134.942 68.6494 GPRESSURE: 4464000 532.519 -203.796 245.514 -8.57993 275.653 149.281 220.065 85.0896 36.2327 PRESSAVG: 4464000 -42.3682 -42.7371 34.5046 -42.737 82.7333 -12.8917 34.5046 -12.8917 23.625 GPRESSAVG: 4464000 -43.5446 -41.5643 36.8667 -43.6783 84.3732 -13.4011 35.4027 -12.6889 22.6634 TIMING: 4464000 CPU: 14186, 0.00313943/step Wall: 14186, 0.00313943/step, 0.467426 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4464000 3961.6399 20596.5910 14411.7935 259.4490 -203734.5129 2898.6937 0.0000 0.0000 52151.9328 -109454.4131 299.7179 -161606.3459 -109098.3634 299.5572 256.0982 281.4681 760084.3845 21.3300 21.1640 PRESSURE: 4464200 -80.786 83.9794 61.4349 83.9788 71.637 -40.6228 61.4351 -40.6227 -349.761 GPRESSURE: 4464200 -94.8253 79.2493 77.0802 97.7773 171.641 -40.1272 86.6551 17.5791 -352.753 PRESSAVG: 4464200 -37.2274 28.6165 -0.38728 28.6164 19.5383 46.1428 -0.387333 46.1429 -25.5179 GPRESSAVG: 4464200 -37.17 29.7877 -1.06312 27.9209 19.4304 47.8179 -0.105976 45.9623 -25.1377 TIMING: 4464200 CPU: 14186.6, 0.00314925/step Wall: 14186.6, 0.00314925/step, 0.468713 hours remaining, 237.843750 MB of memory in use. ENERGY: 4464200 3979.6930 20692.8736 14379.7040 250.5307 -203620.9378 2598.8711 0.0000 0.0000 52252.2774 -109466.9879 300.2946 -161719.2653 -109102.5863 299.6476 -119.6368 -91.9791 760500.8783 -14.4023 -14.2924 LDB: ============= START OF LOAD BALANCING ============== 14199 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14199 LDB: =============== DONE WITH MIGRATION ================ 14199 LDB: ============= START OF LOAD BALANCING ============== 14199.4 LDB: Largest compute 7026 load 0.035112 is 17.9% of average load 0.195962 LDB: Average compute 0.004402 is 2.2% of average load 0.195962 LDB: TIME 14199.4 LOAD: AVG 0.195962 MAX 0.216773 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 14199.4 LOAD: AVG 0.195962 MAX 0.216773 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 14199.4 LOAD: AVG 0.195962 MAX 0.216773 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 14199.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14199.4 PRESSURE: 4464400 13.5069 212.669 90.1083 212.668 66.4266 370.69 90.1081 370.69 -212.287 GPRESSURE: 4464400 76.4547 55.2146 55.4058 85.2518 51.8289 286.501 62.5221 326.464 -188.022 PRESSAVG: 4464400 40.1194 -44.8034 12.4126 -44.8034 -37.7221 -31.8808 12.4125 -31.8808 -10.7193 GPRESSAVG: 4464400 40.7354 -48.2896 12.6958 -45.3913 -39.0196 -30.8152 13.0304 -32.8002 -9.75952 TIMING: 4464400 CPU: 14187.3, 0.00322248/step Wall: 14187.3, 0.00322248/step, 0.479434 hours remaining, 239.492188 MB of memory in use. ENERGY: 4464400 3894.7241 20624.8337 14455.6542 254.7378 -203113.1281 2430.3983 0.0000 0.0000 51985.6826 -109467.0974 298.7624 -161452.7800 -109097.9674 299.6022 -44.1179 -19.9129 761325.5084 -2.7740 -2.6812 PRESSURE: 4464600 -277.127 93.704 94.3486 93.7033 130.695 70.5803 94.3491 70.5803 -103.943 GPRESSURE: 4464600 -212.905 114.475 72.7925 188.241 199.267 43.315 105.101 165.44 -136.398 PRESSAVG: 4464600 -4.45085 -13.1957 26.8189 -13.1958 44.0953 19.1339 26.8189 19.1338 -10.1347 GPRESSAVG: 4464600 -6.28884 -11.8534 27.0466 -12.4288 45.6958 17.756 26.7835 21.9405 -9.96599 TIMING: 4464600 CPU: 14187.9, 0.00316227/step Wall: 14187.9, 0.00316227/step, 0.4703 hours remaining, 239.492188 MB of memory in use. ENERGY: 4464600 3984.7074 20416.0213 14471.6942 236.1314 -203228.7510 2236.2310 0.0000 0.0000 52209.7178 -109674.2479 300.0500 -161883.9657 -109304.0191 299.3447 -83.4584 -50.0118 761679.0963 9.8366 9.8137 PRESSURE: 4464800 202.613 -3.19018 78.5509 -3.18959 67.0908 66.7337 78.5512 66.7344 226.517 GPRESSURE: 4464800 234.977 -125.22 166.97 -90.5601 122.856 40.3756 -113.282 91.1017 231.662 PRESSAVG: 4464800 37.1036 -5.2055 43.7948 -5.20549 2.27036 -21.5998 43.7948 -21.5999 2.54982 GPRESSAVG: 4464800 38.8237 -7.47622 43.7237 -3.10444 1.66866 -21.0416 44.394 -24.1435 2.10815 TIMING: 4464800 CPU: 14188.5, 0.00315128/step Wall: 14188.5, 0.00315128/step, 0.468491 hours remaining, 239.492188 MB of memory in use. ENERGY: 4464800 4007.5589 20482.7918 14479.6515 270.3086 -203811.0759 2774.9507 0.0000 0.0000 52108.0300 -109687.7843 299.4656 -161795.8143 -109331.0042 299.0799 165.4070 196.4983 759327.5725 13.9746 14.2002 PRESSURE: 4465000 95.2859 191.121 30.3166 191.12 -678.616 91.7886 30.3161 91.7877 -269.64 GPRESSURE: 4465000 72.2732 147.421 -41.2362 7.78735 -650.027 75.6348 -26.0891 154.122 -198.201 PRESSAVG: 4465000 53.4726 -12.8844 -17.2442 -12.8844 -15.7739 30.8394 -17.2442 30.8395 -11.1467 GPRESSAVG: 4465000 52.4659 -10.7073 -18.1347 -15.5841 -14.5314 29.9114 -16.6874 31.4221 -11.3424 TIMING: 4465000 CPU: 14189.2, 0.00314513/step Wall: 14189.2, 0.00314513/step, 0.467401 hours remaining, 239.492188 MB of memory in use. ENERGY: 4465000 3979.6161 20642.9182 14376.7576 249.0517 -202944.9419 2079.4536 0.0000 0.0000 51992.8318 -109624.3130 298.8035 -161617.1447 -109259.3623 299.1322 -284.3232 -258.6516 760691.0167 8.8507 8.8640 PRESSURE: 4465200 49.6179 -224.091 221.065 -224.09 -155.24 4.33151 221.065 4.33207 241.124 GPRESSURE: 4465200 67.8824 -133.006 206.589 -124.637 -41.8415 39.8212 225.193 -120.084 182.372 PRESSAVG: 4465200 16.0841 -28.7714 -16.5472 -28.7713 -18.3466 27.3858 -16.5471 27.3857 4.86978 GPRESSAVG: 4465200 16.1461 -27.9444 -16.5005 -27.2899 -18.583 27.9496 -18.898 27.7724 4.7391 TIMING: 4465200 CPU: 14189.8, 0.00315549/step Wall: 14189.8, 0.00315549/step, 0.468765 hours remaining, 239.492188 MB of memory in use. ENERGY: 4465200 4004.6775 20612.4688 14392.4713 236.0634 -203633.2600 2634.7461 0.0000 0.0000 52362.9919 -109389.8409 300.9308 -161752.8329 -109020.1578 299.7479 45.1674 69.4711 761230.6837 0.8691 0.7674 PRESSURE: 4465400 57.9615 163.923 155.201 163.922 26.6577 -39.5543 155.201 -39.5541 -7.26836 GPRESSURE: 4465400 95.1565 141.571 198.205 54.6013 71.2693 32.0365 80.3964 58.0542 0.404158 PRESSAVG: 4465400 26.3933 -22.8723 -10.2887 -22.8723 -37.2867 -12.9287 -10.2888 -12.9287 24.7708 GPRESSAVG: 4465400 25.993 -24.6657 -9.45737 -23.1705 -38.2148 -12.2849 -10.2454 -12.9581 26.4997 TIMING: 4465400 CPU: 14190.4, 0.00315901/step Wall: 14190.4, 0.00315901/step, 0.469112 hours remaining, 239.492188 MB of memory in use. ENERGY: 4465400 3959.4583 20782.1356 14368.5070 235.2394 -203344.9342 2442.9391 0.0000 0.0000 52329.6240 -109227.0310 300.7391 -161556.6550 -108865.0858 300.2380 25.7836 55.6100 760092.4297 4.6258 4.7593 PRESSURE: 4465600 -77.9011 -50.6239 10.998 -50.6249 218.912 66.6805 10.9987 66.6817 -66.261 GPRESSURE: 4465600 -3.38497 -86.6074 23.1232 29.2 213.089 18.6351 -41.8861 103.622 -27.2769 PRESSAVG: 4465600 -29.5442 -31.857 1.68384 -31.857 34.436 -17.8409 1.68381 -17.8409 8.94216 GPRESSAVG: 4465600 -29.7932 -30.7707 0.691716 -32.2025 34.8427 -18.4576 1.74095 -17.8894 8.67894 TIMING: 4465600 CPU: 14191.1, 0.0031649/step Wall: 14191.1, 0.0031649/step, 0.469812 hours remaining, 239.492188 MB of memory in use. ENERGY: 4465600 4062.9182 20231.3562 14423.6330 236.0004 -203139.7429 2462.1197 0.0000 0.0000 52421.1329 -109302.5825 301.2650 -161723.7154 -108932.5776 300.1535 24.9167 60.8090 758155.6732 4.6113 4.5761 PRESSURE: 4465800 149.981 -26.1302 42.0584 -26.1302 -110.403 -107.554 42.0586 -107.554 -251.59 GPRESSURE: 4465800 174.126 -9.82364 -27.5139 -20.2509 -87.0014 -170.159 89.9869 -49.3349 -210.569 PRESSAVG: 4465800 -8.7667 -30.5275 46.2092 -30.5276 -2.46748 3.79947 46.2093 3.7995 18.4827 GPRESSAVG: 4465800 -7.94594 -30.4805 47.4642 -30.4125 -3.0147 2.50733 47.3119 3.51218 17.9348 TIMING: 4465800 CPU: 14191.7, 0.00314679/step Wall: 14191.7, 0.00314679/step, 0.466948 hours remaining, 239.492188 MB of memory in use. ENERGY: 4465800 4052.9153 20615.2382 14385.4690 239.7032 -202984.9412 2219.7828 0.0000 0.0000 52406.8734 -109064.9593 301.1830 -161471.8328 -108698.1530 300.4199 -70.6711 -41.1484 759553.5220 2.4162 2.3247 PRESSURE: 4466000 26.6125 159.357 128.157 159.357 -182.702 -235.78 128.157 -235.782 -178.761 GPRESSURE: 4466000 142.946 80.9587 193.231 118.052 -176.349 -214.575 5.62421 -265.03 -208.704 PRESSAVG: 4466000 102.778 -20.6771 -1.2051 -20.6771 -99.7825 -57.2735 -1.20507 -57.2735 21.3684 GPRESSAVG: 4466000 102.283 -20.5973 -0.0451836 -20.2962 -99.0579 -55.6446 -2.15871 -56.6382 21.088 TIMING: 4466000 CPU: 14192.3, 0.00315253/step Wall: 14192.3, 0.00315253/step, 0.467625 hours remaining, 239.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4466000 4024.1372 20566.0786 14389.3293 238.3674 -203313.4070 2629.6894 0.0000 0.0000 52312.7057 -109153.0994 300.6418 -161465.8051 -108783.5979 300.7693 -111.6170 -80.7025 759507.2389 8.1212 8.1045 PRESSURE: 4466200 341.313 -66.632 -186.091 -66.6319 290.164 76.4695 -186.09 76.4688 233.444 GPRESSURE: 4466200 381 26.0851 -185.525 -6.87852 211.737 105.012 -45.6573 2.09413 327.419 PRESSAVG: 4466200 -21.1343 2.9965 1.29789 2.99654 -10.0961 -20.6661 1.29788 -20.6662 5.51517 GPRESSAVG: 4466200 -20.626 -1.358 1.09979 4.31835 -10.5544 -19.719 2.25032 -23.3928 5.44951 TIMING: 4466200 CPU: 14193, 0.00314938/step Wall: 14193, 0.00314938/step, 0.466983 hours remaining, 239.492188 MB of memory in use. ENERGY: 4466200 4044.6223 20679.1425 14396.7725 241.2641 -203051.5634 2455.7982 0.0000 0.0000 52142.2341 -109091.7297 299.6621 -161233.9639 -108730.1150 300.5124 288.3068 306.7185 760102.7616 -8.5717 -8.5769 PRESSURE: 4466400 -243.67 214.665 1.02447 214.665 -226.984 -122.507 1.0241 -122.507 243.007 GPRESSURE: 4466400 -162.044 65.2738 97.456 328.294 -222.232 -153.102 81.7888 -248.64 243.068 PRESSAVG: 4466400 -2.09904 -27.9426 -31.5813 -27.9427 1.15479 -22.1795 -31.5813 -22.1795 3.08967 GPRESSAVG: 4466400 -2.50542 -25.1313 -32.7854 -31.038 1.29402 -23.8817 -30.5468 -20.5798 3.47084 TIMING: 4466400 CPU: 14193.6, 0.00316038/step Wall: 14193.6, 0.00316038/step, 0.468439 hours remaining, 239.492188 MB of memory in use. ENERGY: 4466400 4023.4025 20507.3603 14423.3528 236.7322 -203022.9442 2366.8114 0.0000 0.0000 52189.7674 -109275.5176 299.9353 -161465.2850 -108900.6112 300.4297 -75.8823 -47.0695 761026.6156 0.7151 0.7531 PRESSURE: 4466600 -0.181971 50.3234 110.018 50.3244 47.8106 -146.084 110.018 -146.085 188.882 GPRESSURE: 4466600 151.368 102.833 145.381 51.1468 97.9251 -166.444 227.925 -63.0927 75.569 PRESSAVG: 4466600 -4.61217 -42.2883 58.6575 -42.2882 -7.65883 -10.9138 58.6575 -10.9139 -25.3818 GPRESSAVG: 4466600 -4.40735 -42.7742 59.4564 -41.3587 -7.32333 -9.40013 58.6905 -10.9441 -25.6936 TIMING: 4466600 CPU: 14194.2, 0.00314774/step Wall: 14194.2, 0.00314774/step, 0.466391 hours remaining, 239.492188 MB of memory in use. ENERGY: 4466600 3990.8084 20608.0065 14505.3565 263.0328 -203427.0213 2683.3148 0.0000 0.0000 52148.1216 -109228.3809 299.6960 -161376.5024 -108853.9214 300.2943 78.8370 108.2875 762202.9417 -12.5509 -12.4748 PRESSURE: 4466800 4.04699 184.114 -114.642 184.113 -184.246 87.9056 -114.643 87.9061 -212.136 GPRESSURE: 4466800 15.4809 226.486 -157.326 0.840445 -240.766 18.865 -195.388 250.124 -121.142 PRESSAVG: 4466800 61.3694 12.152 -6.43052 12.1519 -38.3463 48.1911 -6.43058 48.1912 3.10591 GPRESSAVG: 4466800 60.731 13.5854 -7.38621 10.6779 -38.6689 49.0124 -4.65488 48.0302 3.59263 TIMING: 4466800 CPU: 14194.8, 0.00314451/step Wall: 14194.8, 0.00314451/step, 0.465736 hours remaining, 239.492188 MB of memory in use. ENERGY: 4466800 3989.3273 20820.9133 14339.1097 254.0139 -203270.7400 2375.9205 0.0000 0.0000 52156.6044 -109334.8510 299.7447 -161491.4554 -108976.3244 300.3438 -130.7784 -115.4758 760848.4253 8.7097 8.5516 PRESSURE: 4467000 214.907 13.6229 -48.2649 13.6231 194.591 331.608 -48.2654 331.608 413.564 GPRESSURE: 4467000 310.082 -25.9768 -6.94968 36.9259 272.156 388.158 -104.144 205.639 334.928 PRESSAVG: 4467000 46.6116 -56.1472 -10.6539 -56.1472 -36.0888 -37.7167 -10.6538 -37.7168 -9.09508 GPRESSAVG: 4467000 46.4933 -55.9529 -11.2414 -55.0561 -35.3281 -39.7729 -14.223 -38.6639 -9.34282 TIMING: 4467000 CPU: 14195.5, 0.00315577/step Wall: 14195.5, 0.00315577/step, 0.467229 hours remaining, 239.492188 MB of memory in use. ENERGY: 4467000 4020.0465 20751.5074 14351.7501 236.2154 -203613.8351 2697.2817 0.0000 0.0000 52274.3702 -109282.6637 300.4215 -161557.0339 -108923.6830 300.4176 274.3541 305.7220 760071.9986 0.4759 0.6075 PRESSURE: 4467200 -131.477 -20.506 -2.22768 -20.5061 -139.659 11.0999 -2.22694 11.1006 -238.487 GPRESSURE: 4467200 -112.548 -86.1859 9.86732 80.9893 -207.17 12.3503 53.1405 10.1969 -116.167 PRESSAVG: 4467200 35.3951 -18.6557 -29.7613 -18.6558 -38.896 -65.4626 -29.7612 -65.4626 -5.63891 GPRESSAVG: 4467200 35.7268 -18.6107 -27.9313 -16.6923 -38.845 -64.0965 -27.9767 -65.4461 -5.22382 TIMING: 4467200 CPU: 14196.1, 0.00313894/step Wall: 14196.1, 0.00313894/step, 0.464563 hours remaining, 239.492188 MB of memory in use. ENERGY: 4467200 4107.8076 20561.9231 14370.1454 243.1637 -203432.5786 2567.8377 0.0000 0.0000 52296.3897 -109285.3115 300.5481 -161581.7012 -108931.5591 300.5307 -169.8745 -145.2950 761973.7854 -3.0466 -2.7807 PRESSURE: 4467400 31.3353 48.6678 -218.82 48.6684 60.4516 -308.197 -218.819 -308.197 36.896 GPRESSURE: 4467400 54.0445 25.2964 -240.146 26.0832 129.868 -297.817 -121.892 -211.764 43.2827 PRESSAVG: 4467400 -25.9014 21.8159 -31.4897 21.8158 22.5672 -33.7439 -31.4896 -33.7439 -5.64845 GPRESSAVG: 4467400 -25.5507 21.8626 -32.3936 19.1801 22.7202 -36.3904 -31.8116 -33.777 -6.69324 TIMING: 4467400 CPU: 14196.7, 0.00316784/step Wall: 14196.7, 0.00316784/step, 0.468664 hours remaining, 239.492188 MB of memory in use. ENERGY: 4467400 3902.0416 20595.5649 14404.6231 259.7704 -202826.5675 2100.0588 0.0000 0.0000 52371.9301 -109192.5786 300.9822 -161564.5087 -108816.6259 300.6118 42.8943 75.7319 760879.9348 -2.9942 -3.1746 PRESSURE: 4467600 244.004 105.461 299.056 105.462 -2.52702 -74.4062 299.055 -74.4057 348.216 GPRESSURE: 4467600 174.875 61.7383 214.429 64.9493 70.1904 -53.2961 245.053 19.6133 418.475 PRESSAVG: 4467600 64.3489 -20.4647 -1.1166 -20.4647 -10.5192 -2.9883 -1.11654 -2.98824 -3.78065 GPRESSAVG: 4467600 63.299 -20.7079 -1.31826 -19.7346 -10.0436 -1.80407 -1.79023 -2.35666 -3.14328 TIMING: 4467600 CPU: 14197.4, 0.00314921/step Wall: 14197.4, 0.00314921/step, 0.465733 hours remaining, 239.492188 MB of memory in use. ENERGY: 4467600 3962.4530 20685.4849 14418.1267 239.2672 -203418.4024 2655.6373 0.0000 0.0000 52376.4469 -109080.9863 301.0082 -161457.4333 -108715.6637 300.5511 196.5643 221.1804 759027.7870 16.6830 16.7040 PRESSURE: 4467800 111.833 -106.704 53.0973 -106.704 346.966 79.4609 53.0965 79.4607 313.111 GPRESSURE: 4467800 178.331 -82.3986 106.802 -69.6777 399.428 83.6658 23.3851 108.436 281.912 PRESSAVG: 4467800 10.4511 -0.458242 -40.5934 -0.458258 -3.277 -39.99 -40.5934 -39.99 5.10425 GPRESSAVG: 4467800 11.228 0.282881 -38.7918 0.197669 -4.41107 -39.1631 -40.3164 -41.9094 5.51665 TIMING: 4467800 CPU: 14198, 0.00316856/step Wall: 14198, 0.00316855/step, 0.468418 hours remaining, 239.492188 MB of memory in use. ENERGY: 4467800 3844.2134 20812.7022 14503.2525 250.3780 -203108.9969 2355.7549 0.0000 0.0000 52368.9238 -108973.7721 300.9649 -161342.6959 -108614.4686 300.4645 257.3037 286.5568 761204.1887 4.0928 4.1112 PRESSURE: 4468000 -17.5871 61.4223 -204.685 61.4221 62.5892 -14.7806 -204.684 -14.78 23.7989 GPRESSURE: 4468000 6.80352 79.9653 -239.3 -63.8215 143.418 22.0306 -57.855 -67.079 2.95584 PRESSAVG: 4468000 -0.862684 0.769326 -1.09626 0.769359 29.6673 -19.4761 -1.09627 -19.4761 13.2867 GPRESSAVG: 4468000 -1.78836 -1.1005 -2.95337 -0.272325 30.4096 -19.3354 -1.09021 -19.1519 13.6685 TIMING: 4468000 CPU: 14198.6, 0.00315407/step Wall: 14198.6, 0.00315407/step, 0.466102 hours remaining, 239.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4468000 4016.5616 20586.7670 14503.0353 230.6876 -203838.6381 2984.1843 0.0000 0.0000 52318.6860 -109198.7164 300.6762 -161517.4023 -108827.2567 300.5250 22.9337 51.0592 761371.6062 14.0304 14.0966 PRESSURE: 4468200 59.0346 -89.2836 26.7578 -89.2835 29.6474 27.6359 26.757 27.6363 -112.406 GPRESSURE: 4468200 92.8176 -116.804 97.622 -95.8103 163.231 16.1993 -3.44556 86.6707 -188.577 PRESSAVG: 4468200 30.8906 -14.8541 40.5653 -14.854 -38.315 7.24199 40.5653 7.242 7.38301 GPRESSAVG: 4468200 32.2161 -15.614 41.7552 -15.2703 -38.5145 5.07458 38.4746 10.1364 5.86647 TIMING: 4468200 CPU: 14199.3, 0.0031445/step Wall: 14199.3, 0.00314451/step, 0.464513 hours remaining, 239.492188 MB of memory in use. ENERGY: 4468200 3995.0826 20801.8512 14429.8892 253.8103 -203172.6295 2500.0334 0.0000 0.0000 52286.6818 -108905.2810 300.4923 -161191.9628 -108551.6958 300.4041 -7.9080 22.4905 760153.1686 -0.0138 -0.1440 LDB: ============= START OF LOAD BALANCING ============== 14211.7 LDB: ============== END OF LOAD BALANCING =============== 14211.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14211.7 LDB: ============= START OF LOAD BALANCING ============== 14212 LDB: Largest compute 7049 load 0.036838 is 18.8% of average load 0.196032 LDB: Average compute 0.004374 is 2.2% of average load 0.196032 LDB: TIME 14212 LOAD: AVG 0.196032 MAX 0.216622 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 14212 LOAD: AVG 0.196032 MAX 0.216622 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: TIME 14212 LOAD: AVG 0.196032 MAX 0.216622 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14212 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14212 PRESSURE: 4468400 397.483 -244.155 198.892 -244.156 216.141 -202.713 198.893 -202.713 330.764 GPRESSURE: 4468400 305.737 -204.524 185.562 -176.918 380.564 -343.729 23.6477 -13.4787 359.488 PRESSAVG: 4468400 12.2081 -23.1691 9.93418 -23.1691 10.0575 -25.2459 9.93421 -25.2459 -17.5724 GPRESSAVG: 4468400 12.1077 -21.1023 10.3088 -22.9087 10.4238 -24.3429 10.8646 -23.9917 -16.8901 TIMING: 4468400 CPU: 14199.9, 0.00323121/step Wall: 14199.9, 0.00323121/step, 0.477143 hours remaining, 238.980469 MB of memory in use. ENERGY: 4468400 3933.3126 20623.4446 14436.5552 260.6300 -203578.0218 2851.3763 0.0000 0.0000 52339.6982 -109133.0050 300.7970 -161472.7032 -108774.1790 300.8497 314.7960 348.5965 759792.4725 1.5644 1.8805 PRESSURE: 4468600 -114.867 -28.3319 -192.816 -28.3318 0.810013 154.436 -192.816 154.436 -247.871 GPRESSURE: 4468600 -73.1562 -4.9585 -192.359 -92.5029 36.3722 143.401 -151.197 134.797 -241.958 PRESSAVG: 4468600 -3.47557 -26.4873 -27.7854 -26.4872 49.8032 -45.7141 -27.7853 -45.7142 11.1634 GPRESSAVG: 4468600 -3.8173 -26.7453 -27.9294 -27.4937 49.8703 -43.923 -27.7901 -48.7869 11.3546 TIMING: 4468600 CPU: 14200.5, 0.00315784/step Wall: 14200.5, 0.00315784/step, 0.466132 hours remaining, 239.183594 MB of memory in use. ENERGY: 4468600 4010.3379 20606.0537 14477.1107 244.5775 -203616.9184 2714.8997 0.0000 0.0000 52540.7392 -109023.1996 301.9524 -161563.9388 -108653.6555 300.6315 -120.6426 -92.9141 761746.5242 19.1637 19.1359 PRESSURE: 4468800 11.6809 -76.8426 -233.373 -76.8421 -262.717 -161.993 -233.373 -161.994 -221.655 GPRESSURE: 4468800 13.5089 -159.809 -214.782 -192.745 -260.769 -180.9 -157.727 -189.497 -148.058 PRESSAVG: 4468800 -10.2173 -49.815 10.4677 -49.815 15.4208 -17.8019 10.4677 -17.8018 -9.52067 GPRESSAVG: 4468800 -10.5408 -51.3379 11.4559 -48.3037 14.751 -17.501 9.53338 -17.9351 -9.22574 TIMING: 4468800 CPU: 14201.2, 0.00317472/step Wall: 14201.2, 0.00317472/step, 0.468448 hours remaining, 239.183594 MB of memory in use. ENERGY: 4468800 3966.0489 20745.7010 14352.2652 257.9888 -203460.3594 2513.0263 0.0000 0.0000 52262.4407 -109362.8886 300.3530 -161625.3292 -109002.5736 300.2585 -157.5636 -131.7725 760009.2086 -1.4391 -1.6719 PRESSURE: 4469000 -209.791 54.1168 -87.2073 54.1174 -134.346 -131.859 -87.2083 -131.858 -136.884 GPRESSURE: 4469000 -123.783 69.0084 -33.3843 3.74179 -169.009 -105.069 -54.6548 4.01778 -117.688 PRESSAVG: 4469000 -86.0679 -36.9352 -34.499 -36.9353 53.4495 -52.308 -34.499 -52.308 -4.35813 GPRESSAVG: 4469000 -85.0436 -33.2622 -35.5158 -38.4523 52.8808 -53.5967 -33.6869 -50.9871 -4.27287 TIMING: 4469000 CPU: 14201.8, 0.00316634/step Wall: 14201.8, 0.00316634/step, 0.467036 hours remaining, 239.183594 MB of memory in use. ENERGY: 4469000 4011.0733 20622.6776 14521.3160 245.0073 -203764.4039 2767.9691 0.0000 0.0000 52098.1600 -109498.2006 299.4088 -161596.3606 -109136.6856 300.1674 -160.3404 -136.8269 761192.9211 -12.3255 -12.1452 PRESSURE: 4469200 -387.669 6.20693 53.6972 6.20732 -160.575 -109.376 53.6973 -109.377 208.2 GPRESSURE: 4469200 -371.852 -83.9223 -40.201 -50.9326 -152.959 -132.335 60.2861 -107.291 280.996 PRESSAVG: 4469200 -39.4442 -61.8128 -35.4796 -61.8128 15.9904 -2.46889 -35.4796 -2.4689 -7.29581 GPRESSAVG: 4469200 -40.2423 -65.3311 -36.364 -62.3925 17.4663 -2.99118 -35.8699 -0.83548 -7.96412 TIMING: 4469200 CPU: 14202.4, 0.00315948/step Wall: 14202.4, 0.00315948/step, 0.465847 hours remaining, 239.183594 MB of memory in use. ENERGY: 4469200 3975.6067 20581.4735 14463.3365 262.3596 -203261.8622 2442.5184 0.0000 0.0000 51888.3137 -109648.2537 298.2029 -161536.5674 -109292.0645 299.2165 -113.3481 -81.2712 761169.3885 -10.2499 -10.2467 PRESSURE: 4469400 510.988 -125.41 14.7709 -125.41 271.607 10.6739 14.7709 10.6738 190.49 GPRESSURE: 4469400 562.196 -213.107 137.018 -70.6889 230.292 37.3825 -44.8643 -101.68 263.41 PRESSAVG: 4469400 1.95994 -64.22 -31.1573 -64.22 35.7139 -43.1942 -31.1573 -43.1943 -28.8609 GPRESSAVG: 4469400 2.49075 -62.3231 -30.7801 -63.8881 34.0768 -41.2401 -30.802 -46.0718 -28.1807 TIMING: 4469400 CPU: 14203.1, 0.00315429/step Wall: 14203.1, 0.00315429/step, 0.464908 hours remaining, 239.183594 MB of memory in use. ENERGY: 4469400 3886.1700 20641.0059 14475.2802 239.3494 -203569.2835 2664.9886 0.0000 0.0000 52020.6351 -109641.8543 298.9633 -161662.4894 -109269.2085 299.4669 324.3617 351.9661 761246.2659 2.9377 2.7956 PRESSURE: 4469600 347.786 3.3816 81.5706 3.38213 306.119 141.071 81.5702 141.069 179.596 GPRESSURE: 4469600 362.392 -44.9267 65.8647 -7.12872 316.954 189.012 9.14584 157.638 223.721 PRESSAVG: 4469600 -6.86068 -74.935 23.4529 -74.935 -31.1268 30.8621 23.4528 30.8621 12.1782 GPRESSAVG: 4469600 -7.38342 -75.8697 24.2653 -73.47 -30.6688 31.1799 22.8491 31.1157 11.7514 TIMING: 4469600 CPU: 14203.7, 0.00315498/step Wall: 14203.7, 0.00315498/step, 0.464834 hours remaining, 239.183594 MB of memory in use. ENERGY: 4469600 3992.6896 20604.9809 14472.5509 258.6786 -203733.7020 2791.0019 0.0000 0.0000 51897.9174 -109715.8826 298.2580 -161613.8000 -109355.8651 299.3209 277.8334 301.0227 760389.1693 -8.6031 -8.7669 PRESSURE: 4469800 -161.192 -214.316 83.2649 -214.316 21.5308 -102.382 83.2658 -102.382 571.945 GPRESSURE: 4469800 -43.1903 -223.1 66.0361 -87.5245 74.2923 -97.2984 58.212 -107.519 500.165 PRESSAVG: 4469800 87.9462 -26.6609 -27.1714 -26.6609 -29.377 -28.7161 -27.1714 -28.7161 -2.179 GPRESSAVG: 4469800 87.4236 -27.1666 -26.4192 -24.2914 -29.3975 -29.3752 -26.2929 -28.235 -1.41764 TIMING: 4469800 CPU: 14204.3, 0.00316064/step Wall: 14204.3, 0.00316064/step, 0.465493 hours remaining, 239.183594 MB of memory in use. ENERGY: 4469800 4031.2470 20524.2776 14484.6612 228.7796 -203582.5520 2414.7845 0.0000 0.0000 52160.7062 -109738.0960 299.7683 -161898.8022 -109374.1827 299.1881 144.0943 177.0892 760442.1428 18.7968 18.8695 PRESSURE: 4470000 -326.604 -148.161 104.373 -148.16 -152.673 -192.062 104.373 -192.062 29.2602 GPRESSURE: 4470000 -302.798 -45.8366 126.344 -92.1507 -90.6532 -67.2389 3.77176 -304.16 31.8276 PRESSAVG: 4470000 -14.846 -18.3589 1.92752 -18.3589 13.6664 -46.5018 1.92756 -46.5017 4.67813 GPRESSAVG: 4470000 -14.2261 -18.7136 1.78482 -19.0855 14.0081 -46.4911 2.89674 -46.4507 3.8216 TIMING: 4470000 CPU: 14205, 0.00315803/step Wall: 14205, 0.00315803/step, 0.464932 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4470000 4072.1753 20659.2702 14397.2010 221.0906 -203462.1885 2696.0634 0.0000 0.0000 51975.2546 -109441.1336 298.7025 -161416.3881 -109090.3117 299.2251 -150.0058 -120.5412 762116.6317 1.1662 1.2012 PRESSURE: 4470200 209.791 -42.3474 -142.579 -42.3473 -158.173 99.9721 -142.579 99.9718 -633.727 GPRESSURE: 4470200 194.436 44.548 -15.4889 -113.249 -96.6819 135.343 -228.443 179.651 -565.108 PRESSAVG: 4470200 -9.51575 -50.5258 -2.96421 -50.5257 -10.8703 -46.6118 -2.96415 -46.6118 9.25585 GPRESSAVG: 4470200 -10.4369 -50.1013 -5.39833 -51.582 -10.035 -46.6714 -4.01984 -47.14 9.69302 TIMING: 4470200 CPU: 14205.6, 0.00316012/step Wall: 14205.6, 0.00316012/step, 0.465064 hours remaining, 239.183594 MB of memory in use. ENERGY: 4470200 4048.6855 20595.5082 14473.4078 233.2174 -203607.1097 2704.5059 0.0000 0.0000 52150.2977 -109401.4871 299.7085 -161551.7848 -109042.3883 299.1096 -194.0364 -155.7847 762203.9026 -3.7101 -3.5930 PRESSURE: 4470400 42.2168 -47.832 36.0251 -47.8311 -107.45 1.6395 36.0249 1.6393 -104.318 GPRESSURE: 4470400 4.22681 -201.361 62.7563 6.83505 -25.8133 36.8868 -51.6127 -11.217 -64.4614 PRESSAVG: 4470400 -1.60316 -66.0274 1.05709 -66.0274 58.1684 36.4508 1.057 36.4508 3.27151 GPRESSAVG: 4470400 -0.506195 -66.2447 2.46996 -65.2516 57.3533 36.336 0.610835 37.3113 3.15503 TIMING: 4470400 CPU: 14206.2, 0.00315598/step Wall: 14206.2, 0.00315598/step, 0.46428 hours remaining, 239.183594 MB of memory in use. ENERGY: 4470400 3949.8771 20601.0991 14459.9208 247.4878 -203510.4347 2602.6972 0.0000 0.0000 52241.8246 -109407.5280 300.2345 -161649.3526 -109050.2537 299.6055 -56.5170 -28.6826 761648.5471 19.9456 20.0007 PRESSURE: 4470600 180.889 -39.0985 -120.794 -39.0985 -279.656 -134.088 -120.793 -134.087 -58.347 GPRESSURE: 4470600 201.266 55.9208 -53.8452 -94.1591 -203.103 -200.382 -146.609 -7.40909 -77.7191 PRESSAVG: 4470600 13.7983 -14.0702 -11.0457 -14.0703 -21.3097 -36.7695 -11.0457 -36.7694 -7.15589 GPRESSAVG: 4470600 14.557 -14.1045 -10.4068 -13.9996 -21.2065 -37.2327 -10.8872 -37.1652 -8.25386 TIMING: 4470600 CPU: 14206.9, 0.00315772/step Wall: 14206.9, 0.00315772/step, 0.464361 hours remaining, 239.183594 MB of memory in use. ENERGY: 4470600 3987.9764 20673.2450 14412.8991 272.4121 -203717.6105 2775.2767 0.0000 0.0000 52230.3826 -109365.4186 300.1687 -161595.8012 -109010.3238 299.4934 -52.3715 -26.5185 761921.1972 -4.8891 -4.9678 PRESSURE: 4470800 -109.638 -201.972 97.7665 -201.972 -185.173 128.678 97.7666 128.678 95.7562 GPRESSURE: 4470800 -115.098 -238.836 85.8118 -141.428 -27.6091 93.8778 20.2191 160.824 37.8913 PRESSAVG: 4470800 -24.8492 -49.8531 -12.7925 -49.8531 -2.53162 -41.144 -12.7926 -41.1439 30.1108 GPRESSAVG: 4470800 -25.8148 -48.9441 -12.9557 -51.4011 -2.30147 -41.3708 -11.0182 -42.1955 30.4842 TIMING: 4470800 CPU: 14207.5, 0.00316076/step Wall: 14207.5, 0.00316076/step, 0.464631 hours remaining, 239.183594 MB of memory in use. ENERGY: 4470800 4065.6761 20445.6173 14522.9390 266.0433 -203316.8171 2560.6792 0.0000 0.0000 52141.0727 -109314.7896 299.6555 -161455.8623 -108951.0515 299.4059 -66.3516 -34.9387 760935.8917 0.9100 0.7893 PRESSURE: 4471000 157.867 -186.178 -39.5104 -186.179 -279.428 128.647 -39.5096 128.646 -60.2759 GPRESSURE: 4471000 161.849 -131.213 -64.4418 -276.115 -185.651 152.213 -16.0247 93.3637 -78.634 PRESSAVG: 4471000 65.604 -44.5023 17.1263 -44.5024 -44.418 -8.64198 17.1263 -8.64197 -22.1393 GPRESSAVG: 4471000 65.579 -45.7726 16.2634 -44.1613 -45.3352 -8.02632 15.1779 -7.93661 -21.316 TIMING: 4471000 CPU: 14208.1, 0.00317447/step Wall: 14208.1, 0.00317447/step, 0.466471 hours remaining, 239.183594 MB of memory in use. ENERGY: 4471000 4019.1260 20673.5734 14419.3175 235.0582 -203836.6202 2729.8143 0.0000 0.0000 52344.2928 -109415.4379 300.8234 -161759.7307 -109044.0992 299.6993 -60.6123 -34.1454 761634.3301 -0.3178 -0.3574 PRESSURE: 4471200 -47.5465 149.538 183.349 149.537 -411.408 -78.2352 183.349 -78.2354 -157.414 GPRESSURE: 4471200 0.690525 129.09 174.638 211.391 -382.189 -106.429 192.097 -59.7938 -156.337 PRESSAVG: 4471200 5.17981 -32.4375 26.2967 -32.4375 19.8273 10.5308 26.2968 10.5308 12.8371 GPRESSAVG: 4471200 5.52215 -30.778 24.691 -30.9046 19.2927 9.10901 27.1258 12.5782 12.2918 TIMING: 4471200 CPU: 14208.8, 0.00314349/step Wall: 14208.8, 0.00314349/step, 0.461743 hours remaining, 239.183594 MB of memory in use. ENERGY: 4471200 4038.2115 20621.5403 14454.1804 253.0245 -203706.7256 2612.7260 0.0000 0.0000 52283.1959 -109443.8471 300.4722 -161727.0430 -109086.5096 300.1941 -205.4561 -179.2786 759623.0798 12.6147 12.3689 PRESSURE: 4471400 -156.311 -198.35 17.5586 -198.351 144.086 15.9984 17.5586 15.9985 153.434 GPRESSURE: 4471400 -69.1091 -145.98 -7.31204 -178.173 111.332 56.9472 -75.7539 38.047 172.753 PRESSAVG: 4471400 -24.1027 -76.6596 81.4131 -76.6597 31.3943 2.67066 81.4131 2.6706 -8.87213 GPRESSAVG: 4471400 -23.4556 -76.2142 83.1191 -78.5471 31.1056 4.29193 81.0931 1.41608 -9.14827 TIMING: 4471400 CPU: 14209.4, 0.00315185/step Wall: 14209.4, 0.00315185/step, 0.462797 hours remaining, 239.183594 MB of memory in use. ENERGY: 4471400 4005.1118 20546.5353 14418.9323 250.6811 -203421.2443 2536.1252 0.0000 0.0000 52332.4969 -109331.3616 300.7556 -161663.8586 -108961.2194 299.9778 47.0695 71.6586 761792.2911 -0.5268 -0.4994 PRESSURE: 4471600 221.334 -140.577 -95.6789 -140.577 92.4351 -11.7298 -95.6793 -11.7316 210.126 GPRESSURE: 4471600 281.802 -35.6803 -114.346 -162.941 118.743 -85.5228 -10.9908 19.566 224.754 PRESSAVG: 4471600 -26.9322 -30.098 19.0114 -30.098 7.61353 -38.605 19.0114 -38.605 -5.8704 GPRESSAVG: 4471600 -26.6389 -31.8399 18.2057 -28.6003 7.01547 -38.5068 18.6344 -38.7006 -5.72661 TIMING: 4471600 CPU: 14210, 0.00317872/step Wall: 14210, 0.00317872/step, 0.466565 hours remaining, 239.183594 MB of memory in use. ENERGY: 4471600 4004.3646 20585.5211 14505.3407 252.4366 -203823.8171 3004.9852 0.0000 0.0000 52067.6692 -109403.4998 299.2336 -161471.1689 -109035.9914 299.8551 174.6317 208.4331 761200.3911 -8.3963 -8.4500 PRESSURE: 4471800 -7.24774 116.822 -118.128 116.821 -227.603 -2.36939 -118.127 -2.36946 -646.89 GPRESSURE: 4471800 58.5689 22.491 -71.8628 83.6529 -300.322 -29.8811 -172.103 123.91 -563.682 PRESSAVG: 4471800 -7.69788 -59.0776 -0.147796 -59.0776 23.9508 -14.3302 -0.147769 -14.3301 -9.61073 GPRESSAVG: 4471800 -7.46406 -57.816 -0.157677 -58.7613 23.8663 -14.4355 1.00586 -13.2331 -9.7448 TIMING: 4471800 CPU: 14210.7, 0.00315372/step Wall: 14210.7, 0.00315372/step, 0.462721 hours remaining, 239.183594 MB of memory in use. ENERGY: 4471800 4004.4619 20692.1761 14447.7645 249.8151 -202988.7375 2217.4914 0.0000 0.0000 51852.8178 -109524.2109 297.9989 -161377.0286 -109162.7674 299.8798 -293.9136 -268.4781 760495.2039 2.2141 2.2191 PRESSURE: 4472000 -332.297 -193.862 63.9909 -193.862 57.918 -193.954 63.9907 -193.954 -308.244 GPRESSURE: 4472000 -226.999 -227.301 109.397 -94.3319 42.3665 -187.083 -2.48011 -201.846 -299.99 PRESSAVG: 4472000 22.5459 -61.037 6.86711 -61.0369 -13.3647 -8.49074 6.8671 -8.49082 -10.128 GPRESSAVG: 4472000 22.0339 -62.6128 5.81031 -59.4827 -11.9545 -8.68703 5.21484 -10.2965 -10.4839 TIMING: 4472000 CPU: 14211.3, 0.00315208/step Wall: 14211.3, 0.00315208/step, 0.462306 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4472000 4029.5985 20451.1820 14413.5714 241.6324 -203265.7774 2392.5222 0.0000 0.0000 52075.5287 -109661.7422 299.2788 -161737.2709 -109291.8722 298.8665 -194.2077 -161.5408 760475.4510 -0.3156 -0.1348 PRESSURE: 4472200 149.938 4.46445 -176.281 4.465 -131.45 88.1542 -176.281 88.1554 -4.09462 GPRESSURE: 4472200 154.777 59.2731 -174.608 -25.499 -31.7727 168.592 -72.1988 57.3019 -11.1808 PRESSAVG: 4472200 -1.76231 -40.7325 3.67943 -40.7325 41.1215 -24.0763 3.67943 -24.0764 -7.69978 GPRESSAVG: 4472200 -1.47075 -40.0338 6.07339 -45.5995 40.8374 -23.8113 4.43071 -24.3321 -7.68165 TIMING: 4472200 CPU: 14211.9, 0.00313949/step Wall: 14211.9, 0.00313949/step, 0.460284 hours remaining, 239.183594 MB of memory in use. ENERGY: 4472200 3914.7134 20608.8589 14472.9700 254.5377 -203625.1278 2753.2820 0.0000 0.0000 52013.0811 -109607.6847 298.9199 -161620.7658 -109248.5177 299.3476 4.7978 37.2743 760824.3045 10.5531 10.5617 LDB: ============= START OF LOAD BALANCING ============== 14224.3 LDB: ============== END OF LOAD BALANCING =============== 14224.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14224.3 LDB: ============= START OF LOAD BALANCING ============== 14224.6 LDB: Largest compute 7073 load 0.035028 is 17.9% of average load 0.196120 LDB: Average compute 0.004372 is 2.2% of average load 0.196120 LDB: TIME 14224.6 LOAD: AVG 0.19612 MAX 0.217754 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 14224.6 LOAD: AVG 0.19612 MAX 0.217754 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 14224.6 LOAD: AVG 0.19612 MAX 0.217754 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 14224.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14224.6 PRESSURE: 4472400 -210.934 52.3271 -235.553 52.3267 -308.244 -164.921 -235.553 -164.921 -48.8829 GPRESSURE: 4472400 -237.837 55.1417 -135.733 -5.96663 -154.524 -116.967 -208.722 -226.165 -85.8709 PRESSAVG: 4472400 19.698 -102.127 -51.5725 -102.127 31.1669 -23.3416 -51.5725 -23.3417 0.402463 GPRESSAVG: 4472400 18.7907 -100.058 -53.596 -100.486 31.4092 -24.8448 -51.1958 -23.1952 0.866385 TIMING: 4472400 CPU: 14212.6, 0.00321082/step Wall: 14212.6, 0.00321082/step, 0.470564 hours remaining, 238.355469 MB of memory in use. ENERGY: 4472400 4042.0935 20589.6598 14412.5232 250.6768 -203335.4739 2437.7291 0.0000 0.0000 52036.1189 -109566.6726 299.0523 -161602.7915 -109211.5628 298.7715 -189.3536 -159.4106 759675.8361 17.0891 17.0221 PRESSURE: 4472600 55.3529 -29.2542 62.0698 -29.254 380.036 44.7216 62.0697 44.7217 -484.103 GPRESSURE: 4472600 18.7567 82.9678 212.675 -11.142 417.903 102.593 78.9984 23.5612 -410.097 PRESSAVG: 4472600 -17.8424 -50.4818 2.11692 -50.4819 12.6094 -45.7926 2.11693 -45.7925 32.923 GPRESSAVG: 4472600 -18.9074 -52.5059 1.72184 -47.6312 14.1326 -44.1553 1.59579 -45.8262 32.439 TIMING: 4472600 CPU: 14213.2, 0.00319363/step Wall: 14213.2, 0.00319363/step, 0.467866 hours remaining, 238.355469 MB of memory in use. ENERGY: 4472600 4079.7167 20478.1599 14367.1680 258.1005 -203522.7690 2777.3146 0.0000 0.0000 52227.5344 -109334.7748 300.1524 -161562.3093 -108967.4550 299.5636 -16.2378 8.8543 761057.6266 9.2300 9.2214 PRESSURE: 4472800 62.082 -47.995 332.013 -47.9945 -139.062 -57.4881 332.012 -57.4873 67.7443 GPRESSURE: 4472800 96.4935 -116.207 208.429 -89.4926 -89.5215 -43.9308 224.159 -14.7914 65.1834 PRESSAVG: 4472800 -36.7211 -50.6335 5.17807 -50.6335 35.4228 -7.55403 5.17805 -7.55404 -30.1382 GPRESSAVG: 4472800 -35.1459 -48.8685 5.46366 -52.6405 33.8654 -8.2916 4.90899 -6.40302 -29.8996 TIMING: 4472800 CPU: 14213.8, 0.00319089/step Wall: 14213.8, 0.00319089/step, 0.467288 hours remaining, 238.355469 MB of memory in use. ENERGY: 4472800 4065.0986 20591.5324 14460.8730 258.6816 -203814.8161 2751.2430 0.0000 0.0000 52294.4657 -109392.9218 300.5370 -161687.3874 -109035.0388 299.9468 -3.0784 24.0518 759412.4512 -10.4788 -10.3934 PRESSURE: 4473000 -79.2939 78.7556 96.3248 78.7547 -75.2154 105.467 96.3247 105.467 -102.536 GPRESSURE: 4473000 -56.3112 61.8904 119.174 -13.6882 -46.5086 65.7703 138.96 62.2553 -63.5692 PRESSAVG: 4473000 -11.4741 -65.3601 5.50001 -65.3601 -28.9315 25.3288 5.49996 25.3287 4.86074 GPRESSAVG: 4473000 -9.75771 -66.1786 4.92497 -66.617 -29.9321 25.3262 4.78199 24.6716 2.94088 TIMING: 4473000 CPU: 14214.5, 0.00316699/step Wall: 14214.5, 0.00316699/step, 0.463612 hours remaining, 238.355469 MB of memory in use. ENERGY: 4473000 4009.4268 20628.7888 14409.0502 225.9882 -203196.5658 2510.9695 0.0000 0.0000 52272.1232 -109140.2190 300.4086 -161412.3422 -108778.8512 300.4273 -85.6818 -55.4630 761189.9716 -11.8483 -12.2497 PRESSURE: 4473200 -48.4279 -176.628 -23.3334 -176.627 124.708 109.758 -23.3342 109.757 13.4322 GPRESSURE: 4473200 102.509 -165.97 -29.4617 -180.817 48.9113 15.195 21.1861 140.97 35.3692 PRESSAVG: 4473200 22.2234 -64.4602 32.0499 -64.4601 -6.8034 -1.53679 32.0499 -1.53676 -1.91945 GPRESSAVG: 4473200 20.3411 -65.4278 32.2203 -64.474 -5.9202 -0.562414 33.749 -3.56596 -0.404788 TIMING: 4473200 CPU: 14215.1, 0.00319373/step Wall: 14215.1, 0.00319373/step, 0.46735 hours remaining, 238.355469 MB of memory in use. ENERGY: 4473200 4003.5774 20459.6283 14498.3823 250.8725 -203285.3798 2682.8745 0.0000 0.0000 52160.4659 -109229.5790 299.7669 -161390.0449 -108865.8736 299.7795 29.9041 62.2630 760219.7117 4.5002 4.6720 PRESSURE: 4473400 -242.197 -108.392 13.0308 -108.392 -185.872 -167.647 13.031 -167.646 -312.416 GPRESSURE: 4473400 -273.164 -97.7496 -6.39319 47.4742 -85.7646 -198.295 71.2625 -99.5581 -289.781 PRESSAVG: 4473400 -26.1426 -35.158 30.889 -35.158 52.2089 24.4388 30.8889 24.4388 8.12368 GPRESSAVG: 4473400 -26.1534 -35.2131 31.8362 -35.5512 52.2424 23.2362 29.4155 25.3949 8.0093 TIMING: 4473400 CPU: 14215.7, 0.00319505/step Wall: 14215.7, 0.00319505/step, 0.467365 hours remaining, 238.355469 MB of memory in use. ENERGY: 4473400 3965.8798 20557.8524 14416.2717 246.9044 -203266.5494 2587.5699 0.0000 0.0000 52279.3366 -109212.7346 300.4501 -161492.0712 -108843.5900 300.4278 -246.8285 -216.2365 761847.3181 11.3967 11.3661 PRESSURE: 4473600 -407.122 -349.486 110.309 -349.486 -16.8327 -62.3592 110.31 -62.3597 -202.38 GPRESSURE: 4473600 -360.225 -200.639 123.622 -344.699 53.4083 -5.83116 121.11 -15.9504 -239.785 PRESSAVG: 4473600 -31.3989 -67.7532 59.6908 -67.7532 -10.6542 -10.8047 59.6908 -10.8047 -7.83555 GPRESSAVG: 4473600 -31.2391 -67.9637 60.1084 -65.4925 -11.1862 -11.6676 59.8267 -10.1719 -7.54292 TIMING: 4473600 CPU: 14216.4, 0.00319283/step Wall: 14216.4, 0.00319283/step, 0.466862 hours remaining, 238.355469 MB of memory in use. ENERGY: 4473600 4016.1392 20551.6715 14471.4432 254.9640 -203194.2306 2339.3477 0.0000 0.0000 52175.2978 -109385.3672 299.8522 -161560.6649 -109020.9138 300.2087 -208.7783 -182.2007 761003.5528 -16.6295 -16.6561 PRESSURE: 4473800 -20.2228 33.8825 -126.284 33.8833 366.058 -60.0177 -126.284 -60.0173 -193.764 GPRESSURE: 4473800 -28.4127 100.826 -96.4127 -73.547 429.29 15.0042 -123.171 -22.4638 -161.89 PRESSAVG: 4473800 -11.559 -38.9369 43.4046 -38.9369 44.1892 9.30486 43.4046 9.30499 11.849 GPRESSAVG: 4473800 -11.8929 -37.6658 43.1208 -39.7693 45.0583 11.7814 44.6955 9.30805 11.1445 TIMING: 4473800 CPU: 14217, 0.00321031/step Wall: 14217, 0.00321031/step, 0.469241 hours remaining, 238.355469 MB of memory in use. ENERGY: 4473800 4057.7233 20485.7456 14388.7725 252.9724 -203584.0852 2408.8683 0.0000 0.0000 52507.9137 -109482.0894 301.7637 -161990.0031 -109116.9463 300.1600 50.6903 79.6624 758794.2050 14.8264 14.7700 PRESSURE: 4474000 -214.549 57.707 -204.828 57.7067 231.109 20.1549 -204.827 20.1555 225.311 GPRESSURE: 4474000 -147.319 -33.8463 -216.77 43.5953 194.692 -150.745 -196.616 50.3919 267.003 PRESSAVG: 4474000 10.0488 -76.3613 3.09436 -76.3613 41.111 9.17928 3.09437 9.17933 15.408 GPRESSAVG: 4474000 11.7595 -76.9928 1.90316 -75.8745 39.4149 7.08159 3.20533 8.65971 15.5917 TIMING: 4474000 CPU: 14217.7, 0.00318081/step Wall: 14217.7, 0.00318081/step, 0.464752 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4474000 3880.9626 20412.7720 14391.7904 213.5884 -203601.2758 2962.5870 0.0000 0.0000 52163.0484 -109576.5270 299.7818 -161739.5754 -109203.9321 299.1716 80.6237 104.7918 760406.1297 22.1892 22.2554 PRESSURE: 4474200 -184.595 -241.407 -143.991 -241.407 -1.53559 122.414 -143.991 122.414 -110.171 GPRESSURE: 4474200 -79.3918 -174.244 -140.078 -114.357 -45.4966 136.022 -85.4005 91.2912 -71.6541 PRESSAVG: 4474200 22.2829 -53.3267 23.3917 -53.3267 20.037 -25.1063 23.3917 -25.1063 15.3385 GPRESSAVG: 4474200 22.0136 -53.0071 25.2639 -53.9512 21.9883 -25.0862 20.8583 -25.8746 13.7626 TIMING: 4474200 CPU: 14218.3, 0.00321657/step Wall: 14218.3, 0.00321657/step, 0.469798 hours remaining, 238.355469 MB of memory in use. ENERGY: 4474200 3949.9389 20539.5983 14421.7315 232.2563 -203175.9084 2408.7974 0.0000 0.0000 52409.0623 -109214.5236 301.1956 -161623.5858 -108848.7820 300.3725 -98.7673 -65.5141 760300.9633 19.2195 19.2548 PRESSURE: 4474400 -143.021 45.2841 26.4932 45.2833 -18.3145 40.3714 26.4932 40.3722 133.411 GPRESSURE: 4474400 -43.1052 127.026 -5.7264 124.277 -47.092 -15.2749 -2.13354 -33.569 153.642 PRESSAVG: 4474400 26.866 -63.6965 -32.5626 -63.6966 -43.0361 11.7546 -32.5625 11.7546 -4.57424 GPRESSAVG: 4474400 25.8176 -63.4173 -33.8854 -63.7395 -44.2008 12.6954 -30.0457 12.5439 -1.98037 TIMING: 4474400 CPU: 14218.9, 0.00318902/step Wall: 14218.9, 0.00318902/step, 0.465598 hours remaining, 238.355469 MB of memory in use. ENERGY: 4474400 3923.6615 20567.8518 14398.5456 260.5447 -202867.3627 2328.7735 0.0000 0.0000 51985.5845 -109402.4012 298.7619 -161387.9857 -109039.5980 300.0505 -9.3079 21.1482 761858.2432 -6.9148 -6.7879 PRESSURE: 4474600 -18.0946 -88.8787 51.4952 -88.879 8.07544 112.4 51.4948 112.401 -160.904 GPRESSURE: 4474600 45.4536 -77.7844 75.5796 -205.738 -3.44498 95.6274 91.245 43.971 -135.579 PRESSAVG: 4474600 -50.4871 -16.31 4.0661 -16.31 37.0969 17.4642 4.06612 17.4641 -0.436306 GPRESSAVG: 4474600 -48.8047 -16.2987 5.71594 -17.2815 36.3732 17.1283 3.67373 19.5288 -1.61504 TIMING: 4474600 CPU: 14219.6, 0.00316987/step Wall: 14219.6, 0.00316987/step, 0.462625 hours remaining, 238.355469 MB of memory in use. ENERGY: 4474600 3993.1539 20633.9081 14451.9572 251.3568 -203121.3322 2390.5077 0.0000 0.0000 52112.7543 -109287.6942 299.4927 -161400.4485 -108920.9329 299.6946 -56.9744 -31.1902 761418.5853 -4.6088 -4.6822 PRESSURE: 4474800 244.669 -156.022 179.735 -156.021 251.537 -98.848 179.735 -98.8485 234.83 GPRESSURE: 4474800 270.278 -32.7458 100.048 -185.279 282.257 -110.267 83.486 -60.9619 245.98 PRESSAVG: 4474800 55.2028 -27.0425 61.2066 -27.0425 -47.4975 -39.859 61.2066 -39.8591 -6.8911 GPRESSAVG: 4474800 53.9871 -29.4476 59.7847 -26.2998 -47.4457 -39.7846 59.2861 -41.3866 -6.09425 TIMING: 4474800 CPU: 14220.2, 0.00317696/step Wall: 14220.2, 0.00317696/step, 0.463484 hours remaining, 238.355469 MB of memory in use. ENERGY: 4474800 3953.7538 20349.9131 14452.7843 246.0256 -203249.0431 2630.5168 0.0000 0.0000 52325.9557 -109290.0937 300.7180 -161616.0494 -108924.1936 299.7578 243.6784 266.1715 760807.2207 0.2714 0.1491 PRESSURE: 4475000 18.6752 -136.828 77.2277 -136.828 10.344 7.34881 77.2268 7.34931 247.551 GPRESSURE: 4475000 46.276 -38.8085 84.7108 -254.843 5.11029 -54.0795 -27.9731 -49.1575 313.975 PRESSAVG: 4475000 22.0861 -52.0852 52.248 -52.0852 -15.109 8.11212 52.2479 8.11212 22.0092 GPRESSAVG: 4475000 21.7446 -49.8415 52.8396 -52.8113 -14.585 7.61241 54.0015 7.82908 21.4715 TIMING: 4475000 CPU: 14220.9, 0.00321166/step Wall: 14220.9, 0.00321166/step, 0.468367 hours remaining, 238.355469 MB of memory in use. ENERGY: 4475000 4003.2907 20631.3602 14529.5660 239.0250 -203315.1134 2514.8541 0.0000 0.0000 51932.8881 -109464.1293 298.4590 -161397.0174 -109103.7177 299.4745 92.1901 121.7869 760287.2985 9.6621 9.5437 PRESSURE: 4475200 207.544 -150.64 -73.388 -150.641 118.016 -205.181 -73.3884 -205.183 -100.711 GPRESSURE: 4475200 235.769 -94.2303 -46.0449 -284.703 98.3884 -218.61 -116.325 -142.094 -44.5742 PRESSAVG: 4475200 3.63901 -21.4667 20.9584 -21.4667 -38.4813 16.6283 20.9584 16.6283 20.7968 GPRESSAVG: 4475200 4.61526 -22.8954 20.8354 -23.4713 -39.2632 17.4208 19.9959 16.0744 20.8372 TIMING: 4475200 CPU: 14221.5, 0.00317013/step Wall: 14221.5, 0.00317013/step, 0.462135 hours remaining, 238.355469 MB of memory in use. ENERGY: 4475200 3916.0792 20413.2494 14432.0353 264.8580 -202968.1901 2553.6497 0.0000 0.0000 52135.0546 -109253.2638 299.6209 -161388.3184 -108887.5094 299.6656 74.9494 96.5276 761584.3283 -4.6818 -4.6036 PRESSURE: 4475400 -242.257 -74.6226 -57.1237 -74.6218 65.8224 161.7 -57.1242 161.699 -290.778 GPRESSURE: 4475400 -165.512 -1.89196 -82.9282 62.7792 128.978 134.776 -98.1665 70.1837 -338.358 PRESSAVG: 4475400 -25.556 -38.5207 35.2154 -38.5207 -9.72133 5.7991 35.2153 5.79906 4.12563 GPRESSAVG: 4475400 -25.3813 -35.968 34.9833 -37.3713 -8.81213 5.78052 36.5481 4.87282 3.48439 TIMING: 4475400 CPU: 14222.1, 0.00316749/step Wall: 14222.1, 0.00316749/step, 0.461574 hours remaining, 238.355469 MB of memory in use. ENERGY: 4475400 3976.7905 20674.1692 14424.8916 242.4264 -202926.7730 2437.9492 0.0000 0.0000 51806.2644 -109364.2816 297.7313 -161170.5461 -109013.2811 299.7337 -155.7374 -124.9640 761124.8882 -10.3839 -10.2363 PRESSURE: 4475600 10.8764 -49.3697 -204.575 -49.3701 37.4772 -17.417 -204.575 -17.4167 -305.357 GPRESSURE: 4475600 51.2817 -78.8151 -145.926 -37.8106 108.673 -31.9105 -299.427 123.109 -338.577 PRESSAVG: 4475600 -7.26009 -27.6972 20.7042 -27.6972 -1.64204 26.1242 20.7042 26.1241 -25.7157 GPRESSAVG: 4475600 -7.93125 -30.6774 21.1759 -26.7223 -2.21378 25.2693 19.4828 27.3927 -24.5944 TIMING: 4475600 CPU: 14222.8, 0.00319252/step Wall: 14222.8, 0.00319252/step, 0.465043 hours remaining, 238.355469 MB of memory in use. ENERGY: 4475600 3988.8462 20597.9131 14436.2686 257.1722 -203694.6359 2886.5721 0.0000 0.0000 52218.1276 -109309.7360 300.0983 -161527.8636 -108956.5784 299.2673 -85.6676 -59.5406 762100.4465 -11.5393 -11.5798 PRESSURE: 4475800 91.3001 87.0832 26.9224 87.0826 -461.336 60.2086 26.9228 60.2095 -294.377 GPRESSURE: 4475800 97.6612 148.518 98.7392 28.5936 -366.275 21.8369 179.765 83.6116 -323.064 PRESSAVG: 4475800 18.6189 -36.7748 -45.6906 -36.7748 -18.5563 19.5369 -45.6906 19.537 -5.87149 GPRESSAVG: 4475800 16.7765 -36.8906 -46.8544 -35.2817 -17.0846 19.9306 -45.9462 20.144 -5.12061 TIMING: 4475800 CPU: 14223.4, 0.00319047/step Wall: 14223.4, 0.00319047/step, 0.464567 hours remaining, 238.355469 MB of memory in use. ENERGY: 4475800 4000.3348 20604.8608 14458.2836 257.8046 -203295.1367 2525.4017 0.0000 0.0000 52175.8450 -109272.6064 299.8553 -161448.4513 -108907.0659 299.6451 -221.4708 -197.2257 762643.4294 -1.9363 -1.8096 PRESSURE: 4476000 -243.57 -104.619 124.493 -104.619 -166.662 88.0416 124.493 88.041 -231.332 GPRESSURE: 4476000 -208.954 -248.853 208.086 -186.587 -106.736 57.315 1.6596 186.451 -253.275 PRESSAVG: 4476000 46.4445 -66.7869 10.9479 -66.7869 -23.3557 -63.6429 10.9479 -63.6429 7.2945 GPRESSAVG: 4476000 48.299 -69.3539 9.8942 -65.959 -23.7458 -62.8874 12.8686 -65.4133 6.04888 TIMING: 4476000 CPU: 14224, 0.00319402/step Wall: 14224, 0.00319402/step, 0.464907 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4476000 4016.5679 20690.6078 14515.7412 256.1300 -203158.8437 2314.1746 0.0000 0.0000 51896.3188 -109469.3035 298.2489 -161365.6222 -109105.4594 299.8703 -213.8547 -189.6549 762326.3157 10.1278 10.2007 PRESSURE: 4476200 -113.045 56.912 61.4147 56.9126 -164.269 -37.0873 61.4141 -37.0861 -490.926 GPRESSURE: 4476200 -54.0638 -3.01276 71.98 3.72909 -168.868 -9.50854 23.0534 -47.4529 -475.512 PRESSAVG: 4476200 -19.6573 -55.7031 20.1076 -55.7031 -3.74722 27.9324 20.1076 27.9324 -18.9692 GPRESSAVG: 4476200 -20.3675 -55.1798 20.9298 -56.5587 -3.63923 27.2314 19.864 28.033 -18.7226 TIMING: 4476200 CPU: 14224.7, 0.0032417/step Wall: 14224.7, 0.0032417/step, 0.471668 hours remaining, 238.355469 MB of memory in use. ENERGY: 4476200 3952.5414 20659.8448 14496.0050 250.9770 -203164.2279 2179.5234 0.0000 0.0000 52007.5142 -109617.8222 298.8879 -161625.3364 -109253.6717 298.5650 -256.0800 -232.8147 761559.3779 -14.1246 -14.2431 LDB: ============= START OF LOAD BALANCING ============== 14237.1 LDB: ============== END OF LOAD BALANCING =============== 14237.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14237.1 LDB: ============= START OF LOAD BALANCING ============== 14237.4 LDB: Largest compute 7073 load 0.036348 is 18.5% of average load 0.196013 LDB: Average compute 0.004373 is 2.2% of average load 0.196013 LDB: TIME 14237.4 LOAD: AVG 0.196013 MAX 0.21909 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 14237.4 LOAD: AVG 0.196013 MAX 0.21909 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 14237.4 LOAD: AVG 0.196013 MAX 0.21909 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 14237.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14237.4 PRESSURE: 4476400 42.609 -85.9889 121.953 -85.988 -355.651 0.77776 121.953 0.777897 231.29 GPRESSURE: 4476400 161.972 -52.5734 43.352 34.497 -352.231 27.9433 94.3427 -5.43193 218.697 PRESSAVG: 4476400 53.4901 -104.699 -31.0161 -104.7 -67.387 -7.57839 -31.0161 -7.57838 9.86621 GPRESSAVG: 4476400 55.204 -102.364 -29.049 -104.268 -68.2236 -7.72967 -31.1889 -7.88961 8.65056 TIMING: 4476400 CPU: 14225.3, 0.00323506/step Wall: 14225.3, 0.00323506/step, 0.470521 hours remaining, 239.636719 MB of memory in use. ENERGY: 4476400 3941.6536 20576.1574 14469.5549 248.5076 -203001.0615 2278.3665 0.0000 0.0000 51960.7310 -109526.0904 298.6190 -161486.8214 -109151.8502 299.3802 -27.2505 9.4791 761340.6721 -1.3436 -1.4563 PRESSURE: 4476600 -225.426 -23.6418 -167.881 -23.6416 -56.6204 76.9294 -167.881 76.93 -546.057 GPRESSURE: 4476600 -140.449 63.276 -238.55 -80.7574 -101.998 78.6087 -141.8 23.7526 -519.71 PRESSAVG: 4476600 82.7982 -48.0543 11.1332 -48.0543 -54.4495 -8.8753 11.1332 -8.87534 1.43128 GPRESSAVG: 4476600 82.2922 -49.7345 10.7198 -48.4102 -54.6948 -9.27101 10.7445 -9.73518 2.28004 TIMING: 4476600 CPU: 14226, 0.00317517/step Wall: 14226, 0.00317517/step, 0.461635 hours remaining, 239.703125 MB of memory in use. ENERGY: 4476600 4053.2993 20582.4872 14437.5648 233.0356 -203124.8812 2286.0827 0.0000 0.0000 52097.9665 -109434.4450 299.4077 -161532.4115 -109075.3615 299.2991 -276.0346 -254.0526 762243.9048 9.9266 9.9592 PRESSURE: 4476800 208.54 -177.938 87.9423 -177.937 -109.801 57.3288 87.9432 57.328 -578.308 GPRESSURE: 4476800 188.654 -126.752 85.5072 -335.803 -70.4179 148.109 162.587 -42.868 -509.368 PRESSAVG: 4476800 32.2753 -66.2511 39.4787 -66.2511 -26.2533 -1.13618 39.4787 -1.13616 -0.5841 GPRESSAVG: 4476800 32.7748 -64.4132 39.5436 -67.8009 -25.9336 -1.11056 37.8544 1.30772 -1.21828 TIMING: 4476800 CPU: 14226.6, 0.00317909/step Wall: 14226.6, 0.00317909/step, 0.462028 hours remaining, 239.703125 MB of memory in use. ENERGY: 4476800 3973.0963 20677.3916 14450.7195 254.7422 -203372.4330 2397.0096 0.0000 0.0000 52324.6689 -109294.8050 300.7106 -161619.4739 -108928.4389 300.3999 -159.8564 -130.3773 761177.4926 1.8126 1.8743 PRESSURE: 4477000 -127.29 -11.0699 287.649 -11.0692 -701.821 178.753 287.648 178.752 -250.891 GPRESSURE: 4477000 -153.906 -12.8711 321.485 -74.4464 -617.518 187.714 158.093 199.666 -193.354 PRESSAVG: 4477000 96.5385 -37.7193 9.63148 -37.7193 -23.0911 23.4114 9.63153 23.4113 5.31352 GPRESSAVG: 4477000 95.8555 -34.353 9.35526 -36.9718 -22.9051 24.7726 10.5141 23.8733 6.8974 TIMING: 4477000 CPU: 14227.2, 0.0031981/step Wall: 14227.2, 0.0031981/step, 0.464613 hours remaining, 239.703125 MB of memory in use. ENERGY: 4477000 3978.8968 20542.2996 14443.3233 260.5721 -203019.1865 2278.5738 0.0000 0.0000 52104.6600 -109410.8608 299.4462 -161515.5209 -109048.3788 299.6136 -360.0006 -321.5925 760875.9506 26.2537 26.6159 PRESSURE: 4477200 -410.657 84.5059 58.9473 84.5065 78.4651 -13.4736 58.9476 -13.4726 -417.488 GPRESSURE: 4477200 -265.52 -109.417 64.49 60.647 81.4571 -81.836 4.29109 -137.034 -464.962 PRESSAVG: 4477200 81.128 4.7127 -8.3281 4.71276 -79.7789 2.7512 -8.32801 2.75117 -18.4209 GPRESSAVG: 4477200 81.8127 -1.34819 -8.7196 5.18196 -79.7792 1.86165 -7.69507 1.86075 -19.4628 TIMING: 4477200 CPU: 14227.9, 0.00316916/step Wall: 14227.9, 0.00316916/step, 0.460233 hours remaining, 239.703125 MB of memory in use. ENERGY: 4477200 3951.8273 20614.2383 14444.7447 259.0610 -203178.6022 2373.4165 0.0000 0.0000 52097.4939 -109437.8204 299.4050 -161535.3144 -109075.1090 299.3847 -249.8934 -216.3418 762201.1917 -5.6906 -5.8097 PRESSURE: 4477400 212.38 143.623 -151.503 143.623 -196.684 116.407 -151.502 116.407 -39.876 GPRESSURE: 4477400 225.477 82.8501 -116.172 177.576 -133.98 125.841 -75.806 127.477 -46.7603 PRESSAVG: 4477400 27.5754 -39.2203 11.4441 -39.2204 -84.3649 5.07347 11.4441 5.07349 8.06583 GPRESSAVG: 4477400 27.6472 -37.5247 11.9317 -39.0921 -84.7049 5.79409 11.4571 4.72714 8.18724 TIMING: 4477400 CPU: 14228.5, 0.0031659/step Wall: 14228.5, 0.0031659/step, 0.459583 hours remaining, 239.703125 MB of memory in use. ENERGY: 4477400 4008.7866 20746.1075 14429.0878 264.9463 -203596.7725 2503.7880 0.0000 0.0000 52189.2433 -109454.8130 299.9323 -161644.0563 -109092.0338 299.3136 -8.0599 14.9123 761366.9507 -16.2412 -16.2902 PRESSURE: 4477600 -224.202 -122.375 -32.6031 -122.377 -65.1161 -34.5705 -32.6037 -34.5697 -462.072 GPRESSURE: 4477600 -141.006 -6.0918 95.4864 -109.261 -105.72 -135.339 -27.5625 -161.976 -415.684 PRESSAVG: 4477600 33.5896 -45.8567 28.232 -45.8567 -40.505 30.1671 28.2319 30.167 3.65453 GPRESSAVG: 4477600 34.8512 -44.1212 29.6925 -47.7011 -40.2542 30.1999 27.7716 31.2364 2.66046 TIMING: 4477600 CPU: 14229.1, 0.00316524/step Wall: 14229.1, 0.00316524/step, 0.459311 hours remaining, 239.703125 MB of memory in use. ENERGY: 4477600 4026.9436 20728.0369 14431.8737 252.7607 -203354.6407 2308.4878 0.0000 0.0000 52106.0613 -109500.4766 299.4543 -161606.5379 -109139.6045 300.0626 -250.4636 -220.8033 760080.3388 -1.0869 -0.9142 PRESSURE: 4477800 -23.6053 -81.7033 -82.1561 -81.7036 -227.565 342.79 -82.1562 342.791 -61.9467 GPRESSURE: 4477800 -25.9431 -133.578 -169.146 -27.869 -199.87 291.478 -31.8719 249.119 -7.29997 PRESSAVG: 4477800 79.3203 -39.1056 49.3143 -39.1056 -85.1156 24.7214 49.3143 24.7215 -7.94561 GPRESSAVG: 4477800 78.3168 -39.2795 46.7408 -39.1832 -84.7199 23.5915 48.5421 23.5685 -7.65613 TIMING: 4477800 CPU: 14229.8, 0.00317321/step Wall: 14229.8, 0.00317321/step, 0.460291 hours remaining, 239.703125 MB of memory in use. ENERGY: 4477800 3913.0806 20496.5132 14531.4395 242.3106 -203370.3334 2372.8054 0.0000 0.0000 52142.2396 -109671.9445 299.6622 -161814.1841 -109307.3301 299.4348 -104.3725 -77.7043 761289.7662 -4.5803 -4.6864 PRESSURE: 4478000 -98.7812 -157.767 -81.5107 -157.767 -314.215 46.8533 -81.5101 46.8538 37.6136 GPRESSURE: 4478000 -157.58 -260.856 -53.188 -89.0271 -216.523 56.0966 -108.161 87.6218 88.0179 PRESSAVG: 4478000 19.8434 -57.8342 26.7149 -57.8341 -34.5531 86.9622 26.715 86.9621 -7.47445 GPRESSAVG: 4478000 20.0965 -59.5533 27.8855 -56.8264 -34.6907 88.1377 25.6592 85.9822 -7.02158 TIMING: 4478000 CPU: 14230.4, 0.00315744/step Wall: 14230.4, 0.00315744/step, 0.457829 hours remaining, 239.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4478000 4009.4238 20589.4140 14466.9444 237.2667 -203203.3946 2205.9349 0.0000 0.0000 51847.3761 -109847.0347 297.9676 -161694.4108 -109494.7258 298.7253 -125.1276 -95.3615 760850.9080 -7.3947 -7.2052 PRESSURE: 4478200 407.868 6.1433 -160.975 6.14314 253.919 -125.899 -160.975 -125.9 334.101 GPRESSURE: 4478200 518.861 34.1388 -83.78 -103.747 243.999 -106.959 -37.4059 -92.9882 336.47 PRESSAVG: 4478200 28.6444 -70.2673 -11.1737 -70.2673 -0.718072 29.5084 -11.1738 29.5083 12.1723 GPRESSAVG: 4478200 29.0943 -69.8322 -11.6313 -69.49 0.249419 29.4473 -8.76663 30.1475 10.7368 TIMING: 4478200 CPU: 14231, 0.00318282/step Wall: 14231, 0.00318282/step, 0.461333 hours remaining, 239.703125 MB of memory in use. ENERGY: 4478200 3998.6435 20527.1640 14532.3760 244.5182 -203884.8214 2918.3773 0.0000 0.0000 51926.4305 -109737.3120 298.4219 -161663.7425 -109371.1354 299.1377 331.9627 366.4435 760849.8693 13.3662 13.3602 PRESSURE: 4478400 -84.8918 -80.421 -80.5228 -80.4208 129.248 211.157 -80.5233 211.156 39.1273 GPRESSURE: 4478400 -41.4237 -137.801 -239.779 -38.8394 173.648 213.664 -46.4978 215.686 31.3261 PRESSAVG: 4478400 9.96203 -78.9815 3.05208 -78.9814 -69.0762 72.0429 3.05205 72.0429 4.77052 GPRESSAVG: 4478400 8.36252 -81.0212 2.09772 -79.2277 -69.3918 71.2602 3.11589 73.4494 6.74516 TIMING: 4478400 CPU: 14231.7, 0.00321387/step Wall: 14231.7, 0.00321387/step, 0.465654 hours remaining, 239.703125 MB of memory in use. ENERGY: 4478400 3884.7962 20552.6843 14457.9548 261.0959 -203423.5724 2255.1454 0.0000 0.0000 51959.2391 -110052.6568 298.6105 -162011.8959 -109682.5645 298.3057 27.8277 54.5169 761600.2440 -18.1145 -18.0947 PRESSURE: 4478600 -410.023 -240.823 -168.644 -240.822 -278.208 50.9541 -168.643 50.9534 143.495 GPRESSURE: 4478600 -328.672 -84.9845 -263.402 -261.242 -324.231 7.57317 -66.9265 28.2118 186.126 PRESSAVG: 4478600 66.2451 -91.4036 -3.98491 -91.4035 -28.6425 18.7471 -3.98491 18.747 -20.7828 GPRESSAVG: 4478600 66.3094 -88.0933 -4.45117 -92.1615 -28.6761 19.7683 -5.16682 17.4179 -20.4254 TIMING: 4478600 CPU: 14232.3, 0.00317203/step Wall: 14232.3, 0.00317203/step, 0.459415 hours remaining, 239.703125 MB of memory in use. ENERGY: 4478600 3940.3745 20443.7455 14447.3978 249.8791 -203285.1458 2446.6819 0.0000 0.0000 51798.4844 -109958.5826 297.6866 -161757.0670 -109593.1745 298.2519 -181.5787 -155.5922 762338.3548 5.6066 5.7360 PRESSURE: 4478800 -144.331 -49.7731 -203.057 -49.7734 -131.111 -243.008 -203.058 -243.008 -315.106 GPRESSURE: 4478800 -150.288 28.6822 -122.056 -86.3672 -75.5492 -189.625 -134.436 -57.4807 -274.736 PRESSAVG: 4478800 46.5155 -99.4407 -35.509 -99.4407 -61.153 -26.7275 -35.5089 -26.7274 -13.4236 GPRESSAVG: 4478800 46.8098 -100.193 -34.7988 -99.365 -61.0356 -27.6617 -35.0476 -27.6351 -14.1761 TIMING: 4478800 CPU: 14233, 0.00316002/step Wall: 14233, 0.00316002/step, 0.4575 hours remaining, 239.703125 MB of memory in use. ENERGY: 4478800 3957.6767 20626.9016 14435.9928 257.0555 -203645.3322 2600.2684 0.0000 0.0000 51745.7107 -110021.7266 297.3833 -161767.4373 -109658.8900 298.1091 -196.8491 -166.8578 759993.3019 -9.3537 -9.4673 PRESSURE: 4479000 327.379 -202.144 142.814 -202.144 248.044 161.558 142.815 161.559 150.841 GPRESSURE: 4479000 301.256 -136.551 157.635 -216.417 326.623 97.2809 -66.898 232.878 173.539 PRESSAVG: 4479000 39.8318 -59.422 -56.2518 -59.422 -69.7616 82.1975 -56.2518 82.1976 4.45559 GPRESSAVG: 4479000 39.0853 -61.1511 -55.4085 -59.1576 -69.9101 81.7221 -56.7384 84.2612 5.45282 TIMING: 4479000 CPU: 14233.6, 0.00316848/step Wall: 14233.6, 0.00316848/step, 0.45855 hours remaining, 239.703125 MB of memory in use. ENERGY: 4479000 3950.1794 20517.4318 14359.8475 249.5304 -204083.5204 2905.2607 0.0000 0.0000 52029.5856 -110071.6851 299.0147 -162101.2707 -109707.3997 298.2468 242.0883 267.1396 761608.4131 -8.4914 -8.4573 PRESSURE: 4479200 233.572 -2.41638 -154.156 -2.41662 -20.501 -6.7065 -154.158 -6.70668 97.6063 GPRESSURE: 4479200 231.044 -16.5878 -61.7406 -67.2873 25.7405 -125.742 -65.0459 -21.6022 139.027 PRESSAVG: 4479200 4.95231 -84.253 12.7725 -84.253 -26.6556 23.1526 12.7725 23.1526 6.17743 GPRESSAVG: 4479200 4.95245 -84.6248 13.131 -84.2007 -26.1202 21.8152 12.564 23.2313 6.0522 TIMING: 4479200 CPU: 14234.2, 0.00317349/step Wall: 14234.2, 0.00317349/step, 0.459099 hours remaining, 239.703125 MB of memory in use. ENERGY: 4479200 4018.1295 20483.2070 14374.6151 271.2743 -203788.1663 2817.7879 0.0000 0.0000 51785.4493 -110037.7032 297.6117 -161823.1526 -109682.7878 298.1298 103.5591 131.9372 761035.5592 -5.1753 -5.0385 PRESSURE: 4479400 -43.2117 -104.518 -62.1422 -104.518 -98.4117 -106.092 -62.1431 -106.093 113.554 GPRESSURE: 4479400 -12.1282 -67.5572 -58.4543 -74.8739 -5.77892 -82.8424 -148.313 36.5008 80.3029 PRESSAVG: 4479400 0.241457 -39.1133 -31.7072 -39.1133 -35.5743 -36.2299 -31.7072 -36.2299 15.4323 GPRESSAVG: 4479400 2.07313 -37.2693 -34.0836 -38.9411 -36.3918 -34.0781 -31.4937 -34.874 14.4322 TIMING: 4479400 CPU: 14234.9, 0.0031569/step Wall: 14234.9, 0.0031569/step, 0.456523 hours remaining, 239.703125 MB of memory in use. ENERGY: 4479400 3992.4448 20384.7715 14448.6976 229.7543 -203366.8092 2416.2106 0.0000 0.0000 52122.2293 -109772.7011 299.5472 -161894.9304 -109412.0400 298.5844 -9.3564 20.7986 759987.2333 -6.6335 -6.6288 PRESSURE: 4479600 -202.788 -37.6992 -38.1328 -37.6984 81.1146 10.6739 -38.1327 10.6739 -312.38 GPRESSURE: 4479600 -143.292 100.488 -131.378 -95.0881 50.3127 -21.0725 15.376 -65.2823 -277.136 PRESSAVG: 4479600 43.2234 -26.4668 5.14989 -26.4668 -64.383 -9.55476 5.1499 -9.55469 36.3557 GPRESSAVG: 4479600 41.4239 -27.1771 6.07427 -26.4674 -62.2122 -8.08515 5.97852 -10.9333 35.7219 TIMING: 4479600 CPU: 14235.5, 0.00313423/step Wall: 14235.5, 0.00313423/step, 0.45307 hours remaining, 239.703125 MB of memory in use. ENERGY: 4479600 3978.2683 20557.3946 14425.6699 272.3939 -203175.0836 2224.4315 0.0000 0.0000 52038.0715 -109678.8538 299.0635 -161716.9253 -109314.8310 299.2555 -144.6843 -123.3719 760652.0614 5.0654 4.9779 PRESSURE: 4479800 -100.306 -50.701 -112.75 -50.702 -286.639 93.4387 -112.75 93.4399 138.005 GPRESSURE: 4479800 -77.5038 -38.7494 -172.769 28.9449 -201.221 92.7608 83.7554 67.9137 116.207 PRESSAVG: 4479800 8.1978 -38.9126 -11.819 -38.9125 19.1002 21.7404 -11.819 21.7404 2.00982 GPRESSAVG: 4479800 10.2478 -39.603 -11.9688 -39.2903 17.3863 20.9877 -13.1981 20.2455 1.85793 TIMING: 4479800 CPU: 14236.1, 0.0031688/step Wall: 14236.1, 0.0031688/step, 0.457891 hours remaining, 239.703125 MB of memory in use. ENERGY: 4479800 4036.5819 20538.9282 14346.6295 251.9040 -203691.2890 2610.9627 0.0000 0.0000 52301.9420 -109604.3406 300.5800 -161906.2826 -109238.2668 299.5148 -82.9803 -54.1725 759730.0630 9.7693 9.8307 PRESSURE: 4480000 -308.02 -176.3 148.3 -176.3 -156.534 -71.3874 148.301 -71.3872 -296.539 GPRESSURE: 4480000 -266.2 -221.727 182.732 -185.332 -123.883 -134.29 121.886 -97.0387 -299.65 PRESSAVG: 4480000 34.1409 -87.2726 9.09639 -87.2726 -68.1726 34.8986 9.09641 34.8987 -8.2333 GPRESSAVG: 4480000 33.2478 -88.476 9.58124 -86.2116 -66.7177 35.8029 11.6942 35.8008 -8.65645 TIMING: 4480000 CPU: 14236.7, 0.00315783/step Wall: 14236.7, 0.00315783/step, 0.456131 hours remaining, 239.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4480000 3998.1594 20475.3782 14361.2167 264.7434 -203463.1439 2452.3781 0.0000 0.0000 52168.7300 -109742.5381 299.8144 -161911.2681 -109384.7228 299.2325 -253.6980 -229.9110 762133.6014 -14.0883 -14.0421 PRESSURE: 4480200 -131.78 -137.816 -178.504 -137.816 -316.987 -150.751 -178.504 -150.751 -102.128 GPRESSURE: 4480200 -230.523 -136.378 -129.229 -66.8915 -202.897 -143.731 -97.5454 -142.712 -34.6861 PRESSAVG: 4480200 41.3649 -35.5947 -2.94181 -35.5946 -41.3849 23.7154 -2.94181 23.7154 8.19545 GPRESSAVG: 4480200 40.6576 -33.6594 -3.28726 -36.7451 -42.1191 23.6198 -4.30867 23.5269 9.4688 TIMING: 4480200 CPU: 14237.4, 0.00315827/step Wall: 14237.4, 0.00315827/step, 0.45602 hours remaining, 239.703125 MB of memory in use. ENERGY: 4480200 3967.0648 20459.5075 14432.7293 250.3607 -203148.8837 2429.4595 0.0000 0.0000 51811.5267 -109798.2352 297.7616 -161609.7619 -109440.9838 298.6432 -183.6314 -156.0355 762020.9189 2.7251 2.6691 LDB: ============= START OF LOAD BALANCING ============== 14249.8 LDB: ============== END OF LOAD BALANCING =============== 14249.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14249.8 LDB: ============= START OF LOAD BALANCING ============== 14250.1 LDB: Largest compute 7073 load 0.035509 is 18.1% of average load 0.195974 LDB: Average compute 0.004390 is 2.2% of average load 0.195974 LDB: TIME 14250.1 LOAD: AVG 0.195974 MAX 0.216456 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.512 MB LDB: TIME 14250.1 LOAD: AVG 0.195974 MAX 0.216456 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.512 MB LDB: TIME 14250.1 LOAD: AVG 0.195974 MAX 0.216456 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.512 MB LDB: ============== END OF LOAD BALANCING =============== 14250.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14250.1 PRESSURE: 4480400 -95.0125 1.54161 270.67 1.54158 280.725 13.3928 270.67 13.3946 236.689 GPRESSURE: 4480400 34.8899 151.01 235.376 -17.9049 200.036 40.375 148.437 17.2941 255.846 PRESSAVG: 4480400 -5.33425 -50.7199 -24.466 -50.7198 -38.8968 -37.2164 -24.466 -37.2163 -1.84342 GPRESSAVG: 4480400 -4.3914 -50.5622 -25.5697 -50.2487 -38.6125 -37.5137 -23.6198 -36.7179 -3.08414 TIMING: 4480400 CPU: 14238, 0.00322983/step Wall: 14238, 0.00322983/step, 0.466172 hours remaining, 238.355469 MB of memory in use. ENERGY: 4480400 3904.7378 20499.6060 14374.0156 222.8884 -203505.0467 2700.2146 0.0000 0.0000 52154.4877 -109649.0967 299.7326 -161803.5844 -109288.1821 298.7961 140.8006 163.5906 761727.7497 -15.3582 -15.3627 PRESSURE: 4480600 -138.272 -42.3561 -7.25566 -42.356 27.4199 -65.1024 -7.25541 -65.1023 27.3886 GPRESSURE: 4480600 -123.087 -59.5993 32.2002 -106.133 66.2459 -95.1459 14.2223 -55.5551 33.1816 PRESSAVG: 4480600 54.9121 -23.0655 -10.2127 -23.0654 -6.85028 -13.8151 -10.2128 -13.8151 -12.7496 GPRESSAVG: 4480600 54.7031 -24.7506 -10.5019 -22.5202 -6.7436 -13.6754 -10.0468 -13.5388 -11.6443 TIMING: 4480600 CPU: 14238.7, 0.00316515/step Wall: 14238.7, 0.00316515/step, 0.456661 hours remaining, 238.355469 MB of memory in use. ENERGY: 4480600 3930.3974 20584.5996 14444.1051 253.4456 -203342.7526 2434.3529 0.0000 0.0000 51834.5305 -109861.3214 297.8938 -161695.8519 -109512.5665 299.2402 -27.8213 -7.8864 761116.6795 11.7707 12.1051 PRESSURE: 4480800 18.4223 -173.362 -31.3033 -173.362 -1.19203 93.0794 -31.3032 93.0788 750.28 GPRESSURE: 4480800 138.677 -166.599 -11.0017 -137.399 -5.77845 157.634 -86.1723 62.0725 719.781 PRESSAVG: 4480800 -11.8755 -74.4416 -33.6269 -74.4417 9.31522 -1.75276 -33.627 -1.75271 -2.78364 GPRESSAVG: 4480800 -12.13 -73.0711 -31.8134 -76.4968 10.3022 -1.51081 -35.397 -2.29852 -2.81309 TIMING: 4480800 CPU: 14239.3, 0.00317593/step Wall: 14239.3, 0.00317593/step, 0.45804 hours remaining, 238.355469 MB of memory in use. ENERGY: 4480800 3984.5666 20532.4792 14495.6758 244.1882 -203826.4419 2798.3537 0.0000 0.0000 52054.3804 -109716.7980 299.1572 -161771.1785 -109356.3582 299.1142 255.8369 284.2266 761670.5825 -1.7813 -1.5470 PRESSURE: 4481000 262.063 -87.4494 -83.0511 -87.4493 -8.8101 -57.2754 -83.0508 -57.2754 83.3938 GPRESSURE: 4481000 245.223 -117.577 -44.7459 -62.4938 44.2653 -59.1995 -98.3047 -18.1505 125.734 PRESSAVG: 4481000 7.42373 -24.758 -28.0572 -24.758 -21.847 62.356 -28.0573 62.3559 12.937 GPRESSAVG: 4481000 7.30259 -24.787 -26.8005 -26.0531 -22.6228 62.6778 -26.9357 61.8864 13.7752 TIMING: 4481000 CPU: 14239.9, 0.00315861/step Wall: 14239.9, 0.00315861/step, 0.455367 hours remaining, 238.355469 MB of memory in use. ENERGY: 4481000 3961.0450 20441.4857 14385.6644 252.5043 -203403.4881 2546.3616 0.0000 0.0000 51979.2266 -109837.2006 298.7253 -161816.4271 -109473.4866 298.7540 112.2156 138.4075 762407.9963 -0.4954 -0.5150 PRESSURE: 4481200 -221.851 96.4688 74.7252 96.4688 18.6365 -226.782 74.7248 -226.783 -163.323 GPRESSURE: 4481200 -194.131 33.9985 -12.1531 135.695 3.17918 -182.196 -19.5786 -251.882 -95.0609 PRESSAVG: 4481200 21.6241 -16.7104 -38.9481 -16.7103 -32.3919 31.6394 -38.948 31.6395 -5.04428 GPRESSAVG: 4481200 21.6727 -16.4379 -39.2079 -15.6694 -32.1011 30.2793 -38.7098 32.8414 -5.41611 TIMING: 4481200 CPU: 14240.6, 0.00315291/step Wall: 14240.6, 0.00315291/step, 0.45437 hours remaining, 238.355469 MB of memory in use. ENERGY: 4481200 4021.3799 20471.6096 14341.3856 253.1749 -203111.6075 2353.6446 0.0000 0.0000 52020.9783 -109649.4346 298.9653 -161670.4129 -109291.9108 298.3280 -122.1792 -95.3375 763085.0348 -5.2707 -5.2815 PRESSURE: 4481400 -204.447 111.571 -220.231 111.57 248.054 -26.9672 -220.231 -26.9692 170.206 GPRESSURE: 4481400 -156.481 1.47218 -153.965 76.0665 233.333 91.1494 -66.5538 -62.965 232.756 PRESSAVG: 4481400 40.5292 -60.1344 -16.2803 -60.1345 16.8669 9.47503 -16.2803 9.47504 19.4479 GPRESSAVG: 4481400 40.6068 -61.5007 -16.8148 -58.8054 17.1059 11.2832 -14.4904 7.31782 18.9319 TIMING: 4481400 CPU: 14241.2, 0.00332397/step Wall: 14241.2, 0.00332397/step, 0.478836 hours remaining, 238.355469 MB of memory in use. ENERGY: 4481400 3946.6926 20590.7440 14406.5675 245.3751 -203427.3788 2569.5705 0.0000 0.0000 52256.5201 -109411.9089 300.3189 -161668.4290 -109059.5925 299.0389 71.2711 103.2023 761633.9109 25.6146 25.5482 PRESSURE: 4481600 32.3448 204.453 47.196 204.453 -182.643 276.656 47.1964 276.654 -18.9008 GPRESSURE: 4481600 48.0133 236.661 33.4673 243.093 -191.291 281.614 24.3872 96.8817 63.5488 PRESSAVG: 4481600 28.1685 -12.6349 -37.1059 -12.6348 -21.9008 23.4036 -37.1059 23.4037 -4.1064 GPRESSAVG: 4481600 28.4357 -12.2957 -36.9144 -11.5686 -22.2779 21.5049 -39.8022 24.9628 -4.01717 TIMING: 4481600 CPU: 14241.8, 0.00315878/step Wall: 14241.8, 0.00315878/step, 0.454865 hours remaining, 238.355469 MB of memory in use. ENERGY: 4481600 3965.6407 20387.8264 14396.5089 242.6963 -203294.3883 2448.5268 0.0000 0.0000 52296.3092 -109556.8801 300.5476 -161853.1893 -109188.7755 298.9937 -56.3996 -26.5763 763225.7093 0.7204 0.7135 PRESSURE: 4481800 22.3726 -186.545 -112.569 -186.544 -138.7 182.93 -112.569 182.931 45.8109 GPRESSURE: 4481800 -18.8219 -205.39 -140.516 -232.653 40.6362 200.713 -76.2011 39.6111 2.62428 PRESSAVG: 4481800 59.2276 15.0141 -60.485 15.0142 -51.9108 17.5666 -60.485 17.5666 10.4016 GPRESSAVG: 4481800 58.3179 13.8046 -60.8167 15.5811 -50.9473 17.8038 -58.9141 15.8483 10.1925 TIMING: 4481800 CPU: 14242.5, 0.00316715/step Wall: 14242.5, 0.00316715/step, 0.455894 hours remaining, 238.355469 MB of memory in use. ENERGY: 4481800 3965.7207 20369.8817 14393.8855 256.4913 -203192.8842 2580.5016 0.0000 0.0000 52120.6745 -109505.7288 299.5382 -161626.4033 -109146.6873 298.6609 -23.5056 8.1462 763740.2708 5.9061 5.8544 PRESSURE: 4482000 120.153 -11.4539 41.6062 -11.4545 -168.295 114.693 41.6065 114.693 138.841 GPRESSURE: 4482000 156.665 90.221 80.3711 -24.6223 -74.624 183.886 -60.6118 9.02565 93.6788 PRESSAVG: 4482000 13.8121 -53.282 -35.9781 -53.282 -52.4585 17.581 -35.9781 17.581 2.65122 GPRESSAVG: 4482000 14.9328 -51.1272 -34.9435 -55.2928 -54.0409 19.5924 -37.7036 17.0831 2.78116 TIMING: 4482000 CPU: 14243.2, 0.00334117/step Wall: 14243.2, 0.00334117/step, 0.480758 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4482000 3977.1700 20434.1966 14441.4145 223.6944 -202722.6219 2390.2214 0.0000 0.0000 51760.4628 -109495.4622 297.4681 -161255.9250 -109127.4794 299.1506 30.2327 58.5733 763894.7660 -11.9984 -12.1090 PRESSURE: 4482200 265.053 -127.21 23.517 -127.212 88.1891 32.2638 23.5172 32.2643 418.179 GPRESSURE: 4482200 379.74 24.4632 28.4299 -98.47 112.979 -60.3378 -93.9987 4.77371 344.757 PRESSAVG: 4482200 33.2307 -4.44041 -17.0699 -4.44045 -17.6838 56.2883 -17.0699 56.2884 0.641473 GPRESSAVG: 4482200 32.9205 -2.82714 -18.5502 -5.14591 -16.8452 53.3002 -16.202 57.5722 0.205545 TIMING: 4482200 CPU: 14243.8, 0.00314898/step Wall: 14243.8, 0.00314898/step, 0.452928 hours remaining, 238.355469 MB of memory in use. ENERGY: 4482200 3879.8375 20383.9309 14516.3247 252.5373 -203759.7256 3006.8308 0.0000 0.0000 52160.0527 -109560.2116 299.7645 -161720.2643 -109195.1821 298.9955 257.1402 279.1585 761518.4210 5.3961 5.4269 PRESSURE: 4482400 210.541 27.2777 -123.871 27.2778 219.188 -312.043 -123.87 -312.044 430.998 GPRESSURE: 4482400 204.315 143.073 -182.514 -16.6873 289.985 -268.05 -70.4026 -222.67 451.427 PRESSAVG: 4482400 10.2314 17.5264 4.11165 17.5263 -17.9852 31.0612 4.11165 31.0612 -9.71836 GPRESSAVG: 4482400 10.0617 15.5154 5.96239 19.7021 -17.5216 31.4696 3.76744 31.4816 -9.85408 TIMING: 4482400 CPU: 14244.4, 0.00316287/step Wall: 14244.4, 0.00316287/step, 0.45475 hours remaining, 238.355469 MB of memory in use. ENERGY: 4482400 3987.2599 20456.7098 14500.0282 249.4161 -203325.5024 2879.4609 0.0000 0.0000 51691.6716 -109560.9560 297.0727 -161252.6276 -109198.6489 298.8608 286.9086 315.2424 762008.7734 -5.8241 -5.7713 PRESSURE: 4482600 -340.877 -203.499 115.186 -203.5 -94.5917 135.226 115.185 135.226 -170.821 GPRESSURE: 4482600 -340.952 -299.669 174.45 -170.532 -32.385 90.1167 16.3046 159.253 -170.491 PRESSAVG: 4482600 17.9243 -70.766 7.44115 -70.766 3.19012 -44.2422 7.44117 -44.2422 -13.2229 GPRESSAVG: 4482600 18.9155 -69.3374 6.93469 -71.9194 2.66923 -43.464 8.05507 -45.4518 -13.2041 TIMING: 4482600 CPU: 14245, 0.0031783/step Wall: 14245, 0.0031783/step, 0.456793 hours remaining, 238.355469 MB of memory in use. ENERGY: 4482600 4047.0157 20451.5493 14392.2631 247.0952 -203128.1175 2443.7229 0.0000 0.0000 51976.5161 -109569.9553 298.7098 -161546.4714 -109207.7377 298.7943 -202.0963 -181.2762 762541.2219 2.6305 2.7935 PRESSURE: 4482800 226.716 -9.37696 60.5339 -9.37789 178.941 135.706 60.5338 135.707 109.016 GPRESSURE: 4482800 221.353 -8.2891 30.885 -104.665 283.49 168.889 49.6372 184.559 98.244 PRESSAVG: 4482800 -7.86121 -31.0947 9.48889 -31.0947 26.3936 42.0171 9.48886 42.0171 -25.643 GPRESSAVG: 4482800 -9.05527 -32.3675 9.62355 -31.5459 27.4242 44.0276 10.5727 41.9858 -26.0278 TIMING: 4482800 CPU: 14245.7, 0.00316095/step Wall: 14245.7, 0.00316095/step, 0.454123 hours remaining, 238.355469 MB of memory in use. ENERGY: 4482800 3992.8119 20582.2474 14453.6088 242.6216 -203515.4539 2825.5456 0.0000 0.0000 51797.7431 -109620.8754 297.6823 -161418.6185 -109260.5638 299.2283 171.5576 201.0289 761743.3717 -2.3702 -2.5530 PRESSURE: 4483000 -305.717 100.102 -143.295 100.102 193.746 17.0199 -143.296 17.0202 -99.2811 GPRESSURE: 4483000 -213.487 -29.1245 -182.87 99.3596 196.729 -25.614 60.6341 104.747 -90.0676 PRESSAVG: 4483000 1.30114 -56.7004 -52.4138 -56.7004 -8.89966 15.3734 -52.4137 15.3734 -21.1196 GPRESSAVG: 4483000 1.87363 -55.4039 -52.0018 -55.3498 -9.70696 13.9507 -52.7183 17.9345 -21.2157 TIMING: 4483000 CPU: 14246.3, 0.00318591/step Wall: 14246.3, 0.00318591/step, 0.457532 hours remaining, 238.355469 MB of memory in use. ENERGY: 4483000 3967.3870 20486.9275 14410.8324 243.4953 -203353.0748 2609.6065 0.0000 0.0000 52079.2677 -109555.5584 299.3003 -161634.8262 -109199.2838 299.0329 -70.4174 -35.6085 762762.8792 -9.5727 -9.6830 PRESSURE: 4483200 55.9316 35.532 98.4718 35.5322 -93.369 -169.549 98.4726 -169.55 218.745 GPRESSURE: 4483200 75.3061 71.3647 24.4962 6.48963 -36.2774 -164.103 64.9695 -119.458 217.235 PRESSAVG: 4483200 16.177 -44.695 -20.747 -44.695 -58.0993 21.55 -20.7471 21.5501 -26.3175 GPRESSAVG: 4483200 14.427 -46.224 -21.6481 -44.8114 -56.9192 20.364 -19.1164 19.0144 -26.1501 TIMING: 4483200 CPU: 14247, 0.00318907/step Wall: 14247, 0.00318907/step, 0.457808 hours remaining, 238.355469 MB of memory in use. ENERGY: 4483200 3981.6273 20317.8984 14485.2207 253.0295 -203213.5095 2455.1141 0.0000 0.0000 52070.9846 -109649.6350 299.2527 -161720.6196 -109287.5605 298.7778 60.4360 85.4211 762785.2130 -22.7466 -22.8808 PRESSURE: 4483400 63.3828 -110.73 237.922 -110.73 -208.763 -8.95225 237.921 -8.95327 -191.618 GPRESSURE: 4483400 129.318 -73.1968 314.295 -216.871 -159.979 60.9773 113.87 -38.7753 -206.751 PRESSAVG: 4483400 -31.6668 -55.1491 -54.8077 -55.1491 -26.047 -33.3039 -54.8076 -33.3039 15.9113 GPRESSAVG: 4483400 -30.6366 -52.8704 -54.6865 -56.278 -26.4434 -32.3587 -59.2292 -33.5141 15.9675 TIMING: 4483400 CPU: 14247.6, 0.00322344/step Wall: 14247.6, 0.00322344/step, 0.462563 hours remaining, 238.355469 MB of memory in use. ENERGY: 4483400 3926.8897 20656.3653 14521.4064 253.1236 -203156.5498 2604.0995 0.0000 0.0000 51905.7974 -109288.8679 298.3033 -161194.6654 -108928.4894 298.8854 -112.3326 -79.1372 763029.6826 -13.9342 -13.7042 PRESSURE: 4483600 69.0981 162.175 103.974 162.174 118.829 -193.662 103.974 -193.663 -290.66 GPRESSURE: 4483600 192.495 217.288 84.2512 119.534 58.8064 -209.916 58.95 -239.149 -267.577 PRESSAVG: 4483600 53.0656 -39.4802 -0.257648 -39.4802 -31.5783 33.1227 -0.257596 33.1226 6.5612 GPRESSAVG: 4483600 53.6415 -39.7538 0.689979 -39.9705 -32.2283 31.796 0.286256 33.1785 7.15334 TIMING: 4483600 CPU: 14248.2, 0.00318242/step Wall: 14248.2, 0.00318242/step, 0.456501 hours remaining, 238.355469 MB of memory in use. ENERGY: 4483600 4033.6338 20426.6095 14476.2968 259.8070 -203096.2556 2744.6601 0.0000 0.0000 52088.3646 -109066.8839 299.3525 -161155.2484 -108697.1811 299.9990 -34.2442 -5.4252 763265.6649 9.3495 9.5222 PRESSURE: 4483800 14.8421 -239.259 -210.094 -239.258 -18.4724 -144.274 -210.094 -144.274 198.734 GPRESSURE: 4483800 86.6574 -91.9689 -197.373 -147.697 -17.4879 -91.8585 -193.465 65.7897 192.405 PRESSAVG: 4483800 27.6366 -42.9064 -15.1673 -42.9064 -49.2667 -0.786547 -15.1673 -0.786529 4.62921 GPRESSAVG: 4483800 27.7795 -43.1534 -14.238 -41.0616 -48.9397 -0.490967 -13.9356 0.803235 3.88577 TIMING: 4483800 CPU: 14248.9, 0.00317671/step Wall: 14248.9, 0.00317671/step, 0.455505 hours remaining, 238.355469 MB of memory in use. ENERGY: 4483800 3939.8275 20545.2386 14384.1753 249.8575 -203273.2051 2567.8732 0.0000 0.0000 52191.2751 -109394.9579 299.9440 -161586.2330 -109029.7560 299.6172 65.0345 87.1916 760308.5267 -5.6670 -5.7581 PRESSURE: 4484000 14.7059 -156.141 153.277 -156.142 -69.2008 26.4175 153.277 26.4178 -66.9013 GPRESSURE: 4484000 51.2866 -222.298 232.339 -107.162 -33.3257 118.06 52.2896 -154.8 -48.5781 PRESSAVG: 4484000 49.8682 -60.7386 -5.70288 -60.7385 -30.7022 -0.525014 -5.70279 -0.524993 2.79837 GPRESSAVG: 4484000 48.5673 -61.3244 -7.34336 -62.6524 -30.6764 -0.303531 -4.90358 -1.99208 3.48314 TIMING: 4484000 CPU: 14249.5, 0.00316616/step Wall: 14249.5, 0.00316616/step, 0.453816 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4484000 4012.0776 20474.1828 14430.7904 247.5035 -203330.1557 2518.4284 0.0000 0.0000 52197.6297 -109449.5432 299.9805 -161647.1729 -109084.8131 299.2516 -40.4654 -10.2057 759227.8758 7.3214 7.1247 PRESSURE: 4484200 429.608 -167.309 -6.81066 -167.309 -4.3705 165.77 -6.81092 165.769 119.839 GPRESSURE: 4484200 440.535 -167.166 52.0793 -164.998 26.0536 167.017 53.1828 100.156 124.965 PRESSAVG: 4484200 75.9382 -15.101 12.5713 -15.101 -68.0577 -42.4504 12.5712 -42.4503 -6.99633 GPRESSAVG: 4484200 77.5646 -14.5621 13.8423 -15.5298 -69.8198 -42.6229 10.7704 -39.6025 -7.28418 TIMING: 4484200 CPU: 14250.1, 0.0031553/step Wall: 14250.1, 0.0031553/step, 0.452084 hours remaining, 238.355469 MB of memory in use. ENERGY: 4484200 4027.5663 20482.6151 14473.4060 236.9452 -203369.8792 2491.5453 0.0000 0.0000 52171.9548 -109485.8463 299.8329 -161657.8012 -109115.8198 299.2884 181.6921 197.1846 759654.0919 0.2947 0.1535 LDB: ============= START OF LOAD BALANCING ============== 14262.5 LDB: ============== END OF LOAD BALANCING =============== 14262.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14262.5 LDB: ============= START OF LOAD BALANCING ============== 14262.9 LDB: Largest compute 7073 load 0.037121 is 18.9% of average load 0.195979 LDB: Average compute 0.004368 is 2.2% of average load 0.195979 LDB: TIME 14262.9 LOAD: AVG 0.195979 MAX 0.217595 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 14262.9 LOAD: AVG 0.195979 MAX 0.217595 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: TIME 14262.9 LOAD: AVG 0.195979 MAX 0.217595 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.125 MB LDB: ============== END OF LOAD BALANCING =============== 14262.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14262.9 PRESSURE: 4484400 -91.4896 -116.973 -51.1536 -116.972 -439.153 147.289 -51.1538 147.289 -181.276 GPRESSURE: 4484400 -179.055 -84.3145 -44.0012 -3.98733 -349.076 158.598 23.8087 46.7832 -86.8424 PRESSAVG: 4484400 38.571 -83.2569 18.0879 -83.257 -57.0763 70.0523 18.0879 70.0524 13.9863 GPRESSAVG: 4484400 36.091 -84.9063 18.1554 -79.8443 -55.0842 69.9144 18.6389 68.6227 14.3728 TIMING: 4484400 CPU: 14250.8, 0.00323638/step Wall: 14250.8, 0.00323638/step, 0.463522 hours remaining, 238.414062 MB of memory in use. ENERGY: 4484400 3997.4776 20428.9560 14479.5517 241.4418 -203165.3080 2376.4050 0.0000 0.0000 51982.8333 -109658.6425 298.7461 -161641.4758 -109302.7116 299.1378 -237.3062 -204.9912 761921.5369 -1.5063 -1.5401 PRESSURE: 4484600 -35.8959 -33.0847 -151.796 -33.0837 -503.187 -109.718 -151.797 -109.718 -489.599 GPRESSURE: 4484600 -120.506 11.0587 -105.762 -70.3731 -408.967 -123.664 -224.006 -128.269 -419.771 PRESSAVG: 4484600 82.0264 -17.346 -36.3245 -17.346 -69.7471 -12.8619 -36.3245 -12.8619 -2.06713 GPRESSAVG: 4484600 81.1295 -15.6844 -35.8858 -18.4658 -70.282 -14.293 -35.639 -12.462 -0.309829 TIMING: 4484600 CPU: 14251.4, 0.00316949/step Wall: 14251.4, 0.00316949/step, 0.453766 hours remaining, 238.617188 MB of memory in use. ENERGY: 4484600 3941.4453 20527.5661 14362.7361 247.2193 -203286.5029 2544.4484 0.0000 0.0000 52210.3585 -109452.7292 300.0536 -161663.0877 -109083.7674 298.4757 -342.8940 -316.4149 763263.8910 3.4041 3.5126 PRESSURE: 4484800 -161.299 -42.9659 301.349 -42.9662 105.733 65.1574 301.349 65.1578 320.29 GPRESSURE: 4484800 -42.9276 -32.3573 239.945 23.962 85.8144 -52.5743 193.094 204.421 306.76 PRESSAVG: 4484800 1.56517 -0.133241 -32.8523 -0.133314 -24.2645 13.8552 -32.8523 13.8552 -12.862 GPRESSAVG: 4484800 3.73988 -1.10784 -34.3868 -0.734341 -24.3377 14.9753 -33.8983 13.4021 -14.9582 TIMING: 4484800 CPU: 14252.1, 0.00315815/step Wall: 14252.1, 0.00315815/step, 0.451967 hours remaining, 238.617188 MB of memory in use. ENERGY: 4484800 3883.0361 20443.7074 14452.0531 231.0299 -203351.5116 2718.5230 0.0000 0.0000 52197.3133 -109425.8488 299.9787 -161623.1621 -109065.8227 298.9752 88.2414 116.5489 763176.3394 -11.8538 -11.8520 PRESSURE: 4485000 89.9277 116.183 -240.222 116.183 -96.214 199.062 -240.221 199.062 -179.977 GPRESSURE: 4485000 42.5517 71.8445 -230.538 133.895 0.100805 191.618 -219.42 274.21 -127.754 PRESSAVG: 4485000 44.7877 -15.3724 1.89754 -15.3724 -27.8533 66.5519 1.89747 66.5519 -0.6191 GPRESSAVG: 4485000 44.8729 -15.2024 4.9374 -15.7836 -28.5905 66.0108 2.63082 65.8966 0.378341 TIMING: 4485000 CPU: 14252.7, 0.00318195/step Wall: 14252.7, 0.00318195/step, 0.455196 hours remaining, 238.617188 MB of memory in use. ENERGY: 4485000 3973.3149 20490.8102 14444.5930 226.8797 -203355.5004 2564.5789 0.0000 0.0000 52261.3807 -109393.9430 300.3469 -161655.3237 -109033.8049 299.2705 -62.0878 -28.3670 760996.9354 5.4384 5.5536 PRESSURE: 4485200 319.726 83.2829 -157.526 83.2828 136.744 72.5742 -157.525 72.5754 5.45135 GPRESSURE: 4485200 335.642 142.403 -123.813 111.496 164.701 141.734 -205.511 64.3307 42.361 PRESSAVG: 4485200 8.82785 13.8135 12.0345 13.8135 26.8839 13.7652 12.0345 13.7653 2.91884 GPRESSAVG: 4485200 8.13048 12.4472 9.04451 14.7061 26.7168 15.4862 14.0132 14.2028 3.64229 TIMING: 4485200 CPU: 14253.3, 0.00315015/step Wall: 14253.3, 0.00315015/step, 0.450471 hours remaining, 238.617188 MB of memory in use. ENERGY: 4485200 3968.2254 20490.9471 14393.8749 225.0274 -203636.3907 2827.9308 0.0000 0.0000 52200.0752 -109530.3099 299.9945 -161730.3850 -109162.6040 299.1540 153.9737 180.9015 761721.6060 12.8769 12.8298 PRESSURE: 4485400 -78.9218 -210.239 53.9551 -210.239 -181.347 -183.821 53.955 -183.821 157.815 GPRESSURE: 4485400 -84.7518 -167.953 32.1909 -257.855 -130.692 -167.103 66.3769 19.0131 201.512 PRESSAVG: 4485400 19.1724 -17.9893 -10.8356 -17.9893 39.7448 -1.99804 -10.8355 -1.99801 9.69014 GPRESSAVG: 4485400 19.787 -17.5399 -9.78737 -19.5557 39.2192 -2.77205 -10.4772 -1.57089 9.12218 TIMING: 4485400 CPU: 14254, 0.0031716/step Wall: 14254, 0.0031716/step, 0.453363 hours remaining, 238.617188 MB of memory in use. ENERGY: 4485400 4057.3368 20593.5984 14457.9807 240.6462 -203499.4648 2793.9630 0.0000 0.0000 51834.6443 -109521.2954 297.8944 -161355.9397 -109168.4595 299.2358 -34.1512 -4.6438 762026.3707 22.8691 22.7095 PRESSURE: 4485600 -93.4324 -108.711 -11.8628 -108.711 -205.82 -136.246 -11.8629 -136.247 -293.252 GPRESSURE: 4485600 -115.777 -60.4708 -61.188 -20.7511 -200.53 -181.927 38.9762 -107.112 -203.459 PRESSAVG: 4485600 41.0219 3.52552 14.8693 3.52543 -50.9547 4.02846 14.8693 4.0285 -8.01849 GPRESSAVG: 4485600 41.2143 4.39787 14.4208 4.06069 -49.1188 4.16202 15.2942 3.51239 -10.1188 TIMING: 4485600 CPU: 14254.6, 0.00318795/step Wall: 14254.6, 0.00318795/step, 0.455523 hours remaining, 238.617188 MB of memory in use. ENERGY: 4485600 3994.9856 20599.3013 14425.7641 246.4080 -203232.2927 2384.9693 0.0000 0.0000 52128.0571 -109452.8074 299.5807 -161580.8644 -109092.1239 299.5995 -197.5013 -173.2551 761990.7367 -5.9838 -6.0078 PRESSURE: 4485800 119.443 29.9536 51.6728 29.9539 199.653 84.6411 51.6727 84.6407 -95.2749 GPRESSURE: 4485800 131.063 -26.0712 129.351 -58.3227 200.244 176.171 49.0195 59.6781 -36.1973 PRESSAVG: 4485800 52.1834 -17.4014 -29.6716 -17.4014 -24.5431 6.20752 -29.6717 6.20751 2.2701 GPRESSAVG: 4485800 51.3364 -16.4369 -26.4852 -18.0995 -26.5871 4.97618 -33.0833 6.18984 5.81658 TIMING: 4485800 CPU: 14255.2, 0.00318054/step Wall: 14255.2, 0.00318054/step, 0.454286 hours remaining, 238.617188 MB of memory in use. ENERGY: 4485800 3994.2152 20534.8373 14397.9340 234.9945 -203445.4074 2761.7935 0.0000 0.0000 52117.8792 -109403.7537 299.5222 -161521.6329 -109043.9461 299.3438 74.6070 98.3698 761443.8061 9.9701 10.1886 PRESSURE: 4486000 -537.142 -82.8898 -138.18 -82.8887 -414.477 58.4326 -138.179 58.4311 -230.221 GPRESSURE: 4486000 -442.772 -148.016 -169.724 -58.8338 -416.106 -14.3152 -92.7536 -59.4241 -257.045 PRESSAVG: 4486000 -35.7627 -10.7443 -19.901 -10.7442 -25.1436 68.0745 -19.9009 68.0745 -7.98312 GPRESSAVG: 4486000 -35.1143 -11.4539 -22.3056 -9.38929 -24.7051 67.7809 -17.4038 67.4784 -8.6309 TIMING: 4486000 CPU: 14255.9, 0.00318911/step Wall: 14255.9, 0.00318911/step, 0.455334 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4486000 3988.0657 20563.1523 14416.4962 259.2444 -202879.7132 2201.7954 0.0000 0.0000 51994.7164 -109456.2429 298.8143 -161450.9592 -109092.5184 299.4714 -393.9467 -371.9746 764119.3047 -22.9631 -22.8168 PRESSURE: 4486200 289.883 -80.7418 -15.5065 -80.7418 -79.585 208.376 -15.5064 208.375 129.169 GPRESSURE: 4486200 328.095 -73.2991 22.6237 -66.8708 56.4089 161.773 -133.157 239.742 47.9556 PRESSAVG: 4486200 -18.9279 -37.7062 -18.4912 -37.7062 2.12067 21.9398 -18.4912 21.9399 8.26372 GPRESSAVG: 4486200 -17.8568 -36.2719 -18.536 -37.9918 3.44636 23.9466 -18.8858 19.8672 5.89999 TIMING: 4486200 CPU: 14256.5, 0.00319639/step Wall: 14256.5, 0.00319639/step, 0.456195 hours remaining, 238.617188 MB of memory in use. ENERGY: 4486200 4034.4224 20326.0719 14433.9206 254.6677 -203494.7749 2804.5087 0.0000 0.0000 52070.7204 -109570.4632 299.2511 -161641.1836 -109201.3410 298.9667 113.1558 144.1532 760574.1428 -2.8478 -2.8368 PRESSURE: 4486400 124.939 -225.34 50.9271 -225.34 65.7958 175.908 50.9269 175.908 180.043 GPRESSURE: 4486400 226.151 -286.362 90.6187 -180.669 110.624 146.884 125.317 231.957 105.794 PRESSAVG: 4486400 -2.55772 -49.4145 -31.752 -49.4145 32.5378 -2.52322 -31.7521 -2.52324 11.8384 GPRESSAVG: 4486400 -2.93739 -50.7001 -31.5105 -48.4398 32.7747 -3.84981 -34.0287 0.326664 12.6458 TIMING: 4486400 CPU: 14257.1, 0.00321413/step Wall: 14257.1, 0.00321413/step, 0.45855 hours remaining, 238.617188 MB of memory in use. ENERGY: 4486400 3996.3744 20344.1642 14413.2993 254.0056 -203528.1791 2712.2961 0.0000 0.0000 52176.5425 -109631.4969 299.8593 -161808.0394 -109265.3961 298.8665 123.5926 147.5230 762844.7832 13.9395 14.1610 PRESSURE: 4486600 -333.604 8.47046 82.8999 8.47039 52.842 18.1509 82.9003 18.151 61.5067 GPRESSURE: 4486600 -289.33 -12.7098 128.055 -48.4161 133.19 11.8786 159.259 -4.642 24.4409 PRESSAVG: 4486600 -28.3803 -1.89494 -1.25423 -1.89486 69.6715 -24.2459 -1.25423 -24.2459 -17.366 GPRESSAVG: 4486600 -29.1467 -2.68053 0.316602 -1.1789 70.8898 -23.8369 1.15815 -26.9529 -17.6465 TIMING: 4486600 CPU: 14257.8, 0.00319481/step Wall: 14257.8, 0.00319481/step, 0.455615 hours remaining, 238.617188 MB of memory in use. ENERGY: 4486600 3928.3915 20489.6247 14454.9797 231.9054 -203669.9954 2872.4962 0.0000 0.0000 52002.7504 -109689.8473 298.8605 -161692.5978 -109323.8569 298.8604 -73.0850 -43.8998 762698.7307 7.9751 8.0322 PRESSURE: 4486800 -25.4808 -218.003 -54.1397 -218.004 -242.112 -21.8261 -54.1399 -21.8266 -278.965 GPRESSURE: 4486800 16.1858 -145.364 -64.8131 -132.434 -217.428 -1.47623 3.53989 104.956 -254.942 PRESSAVG: 4486800 44.2616 -102.885 2.04157 -102.885 -32.4485 -3.85125 2.04151 -3.85132 -1.80101 GPRESSAVG: 4486800 44.3648 -101.892 1.57453 -101.778 -33.6351 -2.9752 1.83381 -2.68799 -0.214432 TIMING: 4486800 CPU: 14258.4, 0.00321289/step Wall: 14258.4, 0.00321289/step, 0.458015 hours remaining, 238.617188 MB of memory in use. ENERGY: 4486800 3979.3626 20361.7448 14438.5422 251.8439 -203590.8277 2724.3896 0.0000 0.0000 52287.1502 -109547.7944 300.4950 -161834.9446 -109181.5259 298.5056 -182.1859 -152.0613 761713.5095 3.3374 3.5051 PRESSURE: 4487000 99.0698 235.941 56.0328 235.941 373.979 197.905 56.0331 197.904 -74.1356 GPRESSURE: 4487000 108.82 188.103 91.835 208.57 395.107 243.983 -184.312 142.523 -27.6497 PRESSAVG: 4487000 34.6268 -65.4471 -17.0042 -65.447 -55.3359 31.7677 -17.0042 31.7677 -4.35663 GPRESSAVG: 4487000 35.2584 -66.6242 -18.9989 -65.7269 -55.3654 30.7026 -17.6275 32.8491 -4.43887 TIMING: 4487000 CPU: 14259.1, 0.00318283/step Wall: 14259.1, 0.00318283/step, 0.453553 hours remaining, 238.617188 MB of memory in use. ENERGY: 4487000 3947.8563 20516.1594 14310.1277 244.1824 -203579.3455 3072.1833 0.0000 0.0000 51931.1218 -109557.7145 298.4489 -161488.8364 -109201.1194 299.4819 132.9710 158.7594 763178.1825 -8.3552 -8.1820 PRESSURE: 4487200 -38.0962 -128.83 -80.1695 -128.83 21.1178 14.1319 -80.1702 14.1306 196.643 GPRESSURE: 4487200 -35.6417 -172.585 -12.656 -98.2031 72.8592 39.9701 -174.397 82.1789 234.455 PRESSAVG: 4487200 53.0529 -33.7025 31.5385 -33.7026 -9.86777 33.4702 31.5386 33.4702 3.65184 GPRESSAVG: 4487200 52.671 -35.3116 32.1243 -34.168 -9.27594 34.0474 30.9242 31.5934 3.42662 TIMING: 4487200 CPU: 14259.7, 0.00319227/step Wall: 14259.7, 0.00319227/step, 0.454722 hours remaining, 238.617188 MB of memory in use. ENERGY: 4487200 3975.1159 20357.6364 14381.6334 269.2586 -203552.3657 2685.2947 0.0000 0.0000 52067.0515 -109816.3753 299.2301 -161883.4268 -109444.5098 298.5076 59.8883 90.5575 762385.7521 15.6123 15.6072 PRESSURE: 4487400 -283.44 -213.311 62.7927 -213.311 -303.646 -135.437 62.7933 -135.438 -49.8954 GPRESSURE: 4487400 -233.122 -146.045 -25.2597 -142.219 -222.466 -77.5702 -2.11106 -178.304 -124.387 PRESSAVG: 4487400 -17.7944 -28.8704 44.8474 -28.8704 13.3672 0.352615 44.8474 0.352643 11.845 GPRESSAVG: 4487400 -14.9272 -25.8004 45.3813 -29.508 11.4706 -0.980217 45.8478 0.629399 10.723 TIMING: 4487400 CPU: 14260.3, 0.00316149/step Wall: 14260.3, 0.00316149/step, 0.450161 hours remaining, 238.617188 MB of memory in use. ENERGY: 4487400 4001.1374 20460.1636 14372.2143 232.8732 -202636.0252 2115.5670 0.0000 0.0000 51767.3670 -109686.7027 297.5078 -161454.0697 -109328.0783 298.1639 -212.3272 -193.3252 762577.1239 2.4726 2.4221 PRESSURE: 4487600 -31.7609 -107.535 -132.181 -107.535 184.169 -44.732 -132.181 -44.7319 285.486 GPRESSURE: 4487600 73.5799 -113.8 -101.807 -80.0895 178.393 37.4491 -90.5493 -123.819 283.074 PRESSAVG: 4487600 -43.3819 -41.5415 25.0452 -41.5415 61.1662 -10.8098 25.0452 -10.8099 7.36584 GPRESSAVG: 4487600 -45.5573 -43.5652 24.5867 -39.8913 61.8063 -12.0795 25.1027 -10.9567 9.27227 TIMING: 4487600 CPU: 14261, 0.00324934/step Wall: 14261, 0.00324934/step, 0.462489 hours remaining, 238.617188 MB of memory in use. ENERGY: 4487600 3973.9999 20287.7567 14426.8833 246.3076 -203481.6613 2722.1116 0.0000 0.0000 51953.8412 -109870.7610 298.5794 -161824.6022 -109508.7848 298.0791 145.9648 178.3491 760810.9073 8.3834 8.5071 PRESSURE: 4487800 -458.546 9.03486 -142.786 9.03575 11.3594 -55.6858 -142.786 -55.686 -163.074 GPRESSURE: 4487800 -405.155 20.9521 -118.631 36.3553 -70.9367 -58.0518 -121.739 -14.5179 -83.1156 PRESSAVG: 4487800 -24.8419 -60.9936 0.498611 -60.9935 26.8565 -15.8297 0.498604 -15.8297 9.81055 GPRESSAVG: 4487800 -24.787 -61.6375 1.14232 -62.7758 27.0181 -14.8749 0.90433 -15.8624 9.57591 TIMING: 4487800 CPU: 14261.6, 0.00316595/step Wall: 14261.6, 0.00316595/step, 0.450445 hours remaining, 238.617188 MB of memory in use. ENERGY: 4487800 4004.6036 20673.1494 14370.9592 248.4905 -203565.9257 2727.7860 0.0000 0.0000 51562.6274 -109978.3096 296.3311 -161540.9370 -109624.0763 298.3259 -203.4204 -186.4023 763349.9476 3.9417 3.9357 PRESSURE: 4488000 -249.155 -79.5068 -23.2645 -79.5064 -219.836 18.0524 -23.2644 18.0513 26.1107 GPRESSURE: 4488000 -244.522 -163.84 -17.6825 -83.7993 -93.1455 -50.4439 35.3658 137.271 -18.3222 PRESSAVG: 4488000 -50.7554 3.08788 1.01107 3.08793 19.149 -44.4951 1.01103 -44.4952 -10.0355 GPRESSAVG: 4488000 -50.2457 5.86472 1.10577 4.61848 18.0115 -43.9869 0.829644 -44.1056 -9.98447 TIMING: 4488000 CPU: 14262.2, 0.00316521/step Wall: 14262.2, 0.00316521/step, 0.450163 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4488000 3962.8368 20373.1277 14370.3916 247.9397 -203033.3016 2273.7923 0.0000 0.0000 51834.1160 -109971.0975 297.8914 -161805.2135 -109617.6551 298.1779 -147.6268 -118.6632 764191.6082 -13.8806 -14.0729 PRESSURE: 4488200 289.937 28.2486 151.339 28.248 121.365 -54.0318 151.339 -54.0321 99.5359 GPRESSURE: 4488200 298.878 55.2757 146.904 -36.0852 171.812 -126.84 166.577 73.6558 141.423 PRESSAVG: 4488200 -35.801 -90.9414 39.9021 -90.9414 58.7684 -23.9269 39.9022 -23.9268 6.7795 GPRESSAVG: 4488200 -36.27 -92.8865 39.6339 -91.1564 58.9263 -22.5973 38.7676 -24.1458 7.51051 TIMING: 4488200 CPU: 14262.9, 0.00321791/step Wall: 14262.9, 0.00321791/step, 0.45748 hours remaining, 238.617188 MB of memory in use. ENERGY: 4488200 3933.1142 20446.6366 14379.3986 248.6735 -203226.5313 2724.9530 0.0000 0.0000 51525.1170 -109968.6384 296.1156 -161493.7554 -109615.6394 297.8544 170.2795 204.0376 762182.5903 9.9156 10.0556 LDB: ============= START OF LOAD BALANCING ============== 14275.3 LDB: ============== END OF LOAD BALANCING =============== 14275.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14275.3 LDB: ============= START OF LOAD BALANCING ============== 14275.6 LDB: Largest compute 7073 load 0.035303 is 18.0% of average load 0.196123 LDB: Average compute 0.004370 is 2.2% of average load 0.196123 LDB: TIME 14275.6 LOAD: AVG 0.196123 MAX 0.21599 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.184 MB LDB: TIME 14275.6 LOAD: AVG 0.196123 MAX 0.21599 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: TIME 14275.6 LOAD: AVG 0.196123 MAX 0.21599 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: ============== END OF LOAD BALANCING =============== 14275.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14275.6 PRESSURE: 4488400 130.767 -358.155 241.105 -358.155 -545.136 -84.4368 241.106 -84.4369 -161.341 GPRESSURE: 4488400 108.644 -340.699 277.318 -246.524 -412.261 -99.2084 178.386 -137.722 -195.769 PRESSAVG: 4488400 36.1163 -38.1068 67.5105 -38.1069 12.7387 13.1897 67.5106 13.1897 5.67618 GPRESSAVG: 4488400 36.4762 -36.2716 66.7311 -38.268 13.561 13.0281 70.1287 13.097 4.39049 TIMING: 4488400 CPU: 14263.5, 0.0032507/step Wall: 14263.5, 0.0032507/step, 0.461961 hours remaining, 239.183594 MB of memory in use. ENERGY: 4488400 3960.0604 20447.2780 14430.4200 237.1787 -203609.4394 2579.8139 0.0000 0.0000 51970.5529 -109984.1355 298.6755 -161954.6884 -109620.4965 297.9458 -191.9032 -166.4618 762477.5299 18.1771 18.1426 PRESSURE: 4488600 -582.46 60.0877 -55.4938 60.0884 -20.9441 -226.786 -55.4934 -226.787 -90.2502 GPRESSURE: 4488600 -425.587 101.616 -55.4911 70.6488 0.650434 -194.622 -208.363 -279.895 -165.862 PRESSAVG: 4488600 -37.5236 -21.7829 17.5317 -21.7828 30.8615 37.4972 17.5317 37.4971 -18.7066 GPRESSAVG: 4488600 -37.7155 -24.3593 18.5345 -21.8663 30.3239 36.6255 14.9704 37.6448 -18.6499 TIMING: 4488600 CPU: 14264.2, 0.00315916/step Wall: 14264.2, 0.00315916/step, 0.448776 hours remaining, 239.183594 MB of memory in use. ENERGY: 4488600 3951.6499 20393.0966 14473.1715 261.2310 -203370.2570 2334.0453 0.0000 0.0000 51788.1004 -110168.9623 297.6269 -161957.0626 -109815.3542 298.0191 -231.2181 -196.9330 762518.6518 -8.4562 -8.6805 PRESSURE: 4488800 135.745 -19.8948 -370.77 -19.895 272.761 -70.1284 -370.769 -70.1284 -513.796 GPRESSURE: 4488800 207.601 -138.596 -313.223 88.7203 237.798 -63.755 -286.584 -4.49843 -466.012 PRESSAVG: 4488800 -6.82592 -22.586 -16.5116 -22.586 5.46703 -0.939736 -16.5116 -0.939764 16.629 GPRESSAVG: 4488800 -6.22049 -19.8378 -16.278 -23.957 4.90573 -0.99867 -14.9147 0.173793 16.5164 TIMING: 4488800 CPU: 14264.8, 0.00316825/step Wall: 14264.8, 0.00316825/step, 0.449892 hours remaining, 239.183594 MB of memory in use. ENERGY: 4488800 3982.1218 20420.9448 14373.3801 238.7988 -203480.2676 2642.9316 0.0000 0.0000 51706.5375 -110115.5530 297.1582 -161822.0906 -109756.5822 297.9836 -35.0966 -6.8708 761159.4674 5.0901 5.0672 PRESSURE: 4489000 -409.245 -71.6128 67.1499 -71.6121 -420.194 10.224 67.1499 10.2236 90.8238 GPRESSURE: 4489000 -413.48 -104.445 111.791 -172.816 -339.979 44.6933 60.1666 -69.3887 104.466 PRESSAVG: 4489000 -12.8545 -46.2153 46.7934 -46.2154 30.9517 40.8106 46.7933 40.8106 13.8169 GPRESSAVG: 4489000 -12.8522 -45.882 45.5693 -45.2334 32.7528 41.857 46.7861 40.437 12.4803 TIMING: 4489000 CPU: 14265.4, 0.00315563/step Wall: 14265.4, 0.00315563/step, 0.447925 hours remaining, 239.183594 MB of memory in use. ENERGY: 4489000 3945.5226 20430.1767 14450.7049 238.8605 -203388.8561 2435.8976 0.0000 0.0000 51873.0737 -110014.6201 298.1153 -161887.6938 -109656.1895 298.1833 -246.2052 -216.3312 762744.9971 10.6380 10.7936 PRESSURE: 4489200 40.8991 119.501 38.1382 119.502 -24.2487 -2.24044 38.1383 -2.24047 -156.347 GPRESSURE: 4489200 94.1479 13.8013 105.43 206.443 75.9994 -8.35797 33.5022 54.106 -224.747 PRESSAVG: 4489200 20.2578 -16.1432 7.90875 -16.1432 -7.00375 33.5812 7.90875 33.5811 10.5103 GPRESSAVG: 4489200 19.6913 -18.3875 7.01492 -15.4763 -7.69241 31.2825 8.90638 34.5289 12.0808 TIMING: 4489200 CPU: 14266.1, 0.0031662/step Wall: 14266.1, 0.0031662/step, 0.449249 hours remaining, 239.183594 MB of memory in use. ENERGY: 4489200 3989.3316 20375.9771 14481.1278 231.2172 -203620.0028 2847.3369 0.0000 0.0000 51824.5068 -109870.5054 297.8362 -161695.0122 -109508.9173 298.0980 -46.5654 -18.1998 762604.2198 7.9215 8.0265 PRESSURE: 4489400 -154.233 22.9935 10.2949 22.9932 -285.109 184.249 10.2954 184.249 -187.893 GPRESSURE: 4489400 -195.239 -1.5597 -28.7041 -72.2854 -191.408 176.528 83.1843 161.513 -118.786 PRESSAVG: 4489400 1.82364 -51.739 2.13493 -51.739 -3.19883 49.2363 2.13497 49.2363 -14.6741 GPRESSAVG: 4489400 1.26204 -51.3123 2.49514 -52.3226 -2.04022 52.6464 3.10748 48.03 -15.2477 TIMING: 4489400 CPU: 14266.7, 0.00317163/step Wall: 14266.7, 0.00317163/step, 0.449843 hours remaining, 239.183594 MB of memory in use. ENERGY: 4489400 4070.4740 20399.5827 14428.6705 233.3933 -203734.7715 2732.5516 0.0000 0.0000 51992.7216 -109877.3778 298.8029 -161870.0994 -109521.8045 298.3872 -209.0785 -168.4776 762311.8661 -5.3498 -5.3420 PRESSURE: 4489600 83.4697 -151.486 -112.225 -151.487 -94.001 191.058 -112.225 191.057 380.265 GPRESSURE: 4489600 81.4513 -47.0681 -68.0487 -99.2331 6.62837 165.778 -231.997 165.949 363.822 PRESSAVG: 4489600 -12.5474 24.0935 -24.0096 24.0935 12.3661 52.794 -24.0096 52.794 -4.76097 GPRESSAVG: 4489600 -11.4162 25.6429 -22.5914 22.2096 10.375 50.3009 -25.4097 51.6732 -4.43815 TIMING: 4489600 CPU: 14267.3, 0.00316015/step Wall: 14267.3, 0.00316015/step, 0.448039 hours remaining, 239.183594 MB of memory in use. ENERGY: 4489600 3974.0402 20393.6027 14347.4983 235.4565 -203771.8650 2861.0249 0.0000 0.0000 52029.5924 -109930.6501 299.0148 -161960.2425 -109562.0530 298.2453 123.2445 150.6340 761029.5964 -1.6474 -1.8265 PRESSURE: 4489800 -211.589 -114.976 11.0147 -114.977 -25.3024 -256.194 11.014 -256.194 110.34 GPRESSURE: 4489800 -162.578 -188.776 -29.3691 -67.1286 25.9184 -263.027 -54.5745 -162.767 110.755 PRESSAVG: 4489800 11.8944 -7.04688 -12.9275 -7.04689 -6.19642 4.02269 -12.9275 4.02268 3.7536 GPRESSAVG: 4489800 10.6353 -6.75307 -13.1943 -3.69046 -5.06876 4.85351 -13.9377 4.03686 4.49796 TIMING: 4489800 CPU: 14268, 0.00317872/step Wall: 14268, 0.00317872/step, 0.450496 hours remaining, 239.183594 MB of memory in use. ENERGY: 4489800 3954.3141 20359.4528 14358.6951 220.3514 -203319.5475 2582.3003 0.0000 0.0000 51937.6644 -109906.7694 298.4865 -161844.4338 -109547.6110 298.9261 -42.1839 -8.6346 761999.1823 3.1505 3.3548 PRESSURE: 4490000 371.216 -180.774 1.72028 -180.774 252.193 -169.83 1.72159 -169.83 212.131 GPRESSURE: 4490000 392.953 -154.645 43.4567 -116.291 264.825 -193.286 -34.0622 -73.4101 261.043 PRESSAVG: 4490000 29.7038 -19.4802 -6.41671 -19.4802 -1.42136 23.6092 -6.4167 23.6093 -2.88622 GPRESSAVG: 4490000 30.5154 -21.8632 -6.09089 -18.8857 -2.05771 22.5759 -8.09844 25.6768 -3.17495 TIMING: 4490000 CPU: 14268.6, 0.00316354/step Wall: 14268.6, 0.00316354/step, 0.448169 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4490000 3922.3572 20542.8294 14314.1706 241.7300 -203355.7274 2598.7837 0.0000 0.0000 51776.0227 -109959.8337 297.5575 -161735.8564 -109605.9817 298.6302 278.5131 306.2735 762672.3733 8.4654 8.4276 PRESSURE: 4490200 226.275 -64.7742 145.177 -64.7738 10.5291 24.0208 145.177 24.0215 341.338 GPRESSURE: 4490200 168.718 -66.0115 138.206 38.9867 119.5 140.515 37.6048 43.3299 350.493 PRESSAVG: 4490200 78.178 -36.1693 -19.2364 -36.1692 -46.1191 -52.1535 -19.2364 -52.1534 -11.5011 GPRESSAVG: 4490200 78.9381 -32.5699 -20.1825 -39.6615 -45.7756 -50.8673 -16.736 -53.9778 -12.5822 TIMING: 4490200 CPU: 14269.2, 0.00317296/step Wall: 14269.2, 0.00317296/step, 0.449327 hours remaining, 239.183594 MB of memory in use. ENERGY: 4490200 3978.3811 20442.4125 14305.7962 249.1205 -203391.2021 2692.3061 0.0000 0.0000 51839.4029 -109883.7828 297.9218 -161723.1857 -109517.8201 297.9999 192.7142 212.9035 761203.7463 6.8526 6.8601 PRESSURE: 4490400 26.9902 -53.8573 -10.2357 -53.858 -95.1101 -214.709 -10.2355 -214.709 352.272 GPRESSURE: 4490400 101.427 71.3722 -40.2309 -161.663 -70.5886 -132.237 1.37713 -121.162 332.206 PRESSAVG: 4490400 3.49801 -27.34 -2.35318 -27.3401 -25.9328 -3.26701 -2.35316 -3.26698 -4.76386 GPRESSAVG: 4490400 2.35958 -29.9444 -2.20558 -26.5448 -26.1954 -2.76861 -3.19618 -4.478 -3.64702 TIMING: 4490400 CPU: 14269.9, 0.00315818/step Wall: 14269.9, 0.00315818/step, 0.447058 hours remaining, 239.183594 MB of memory in use. ENERGY: 4490400 3921.8419 20522.4150 14463.1135 223.6268 -203532.1794 2643.0054 0.0000 0.0000 52036.1991 -109721.9777 299.0528 -161758.1768 -109362.3770 298.5545 94.7172 121.0146 760230.6392 -9.0662 -9.1609 PRESSURE: 4490600 -29.0531 285.01 77.0396 285.01 -175.204 -219.457 77.0409 -219.457 -320.405 GPRESSURE: 4490600 -127.757 226.795 13.9192 291.754 -105.742 -122.491 78.0397 -107.226 -213.75 PRESSAVG: 4490600 45.2499 -37.7542 10.6821 -37.7542 -39.0202 24.6014 10.6821 24.6014 -11.8524 GPRESSAVG: 4490600 45.1625 -39.4385 11.6221 -35.9616 -39.5062 24.2131 10.5212 26.5602 -11.7056 TIMING: 4490600 CPU: 14270.5, 0.00316024/step Wall: 14270.5, 0.00316024/step, 0.447175 hours remaining, 239.183594 MB of memory in use. ENERGY: 4490600 3915.3139 20377.8493 14450.0047 243.9564 -203034.8193 2480.6175 0.0000 0.0000 51862.4961 -109704.5814 298.0545 -161567.0775 -109344.9155 298.4502 -174.8873 -149.0829 763582.5760 -1.8743 -2.0164 PRESSURE: 4490800 122.078 229.062 -169.153 229.062 -17.1017 28.6985 -169.152 28.6984 -36.5148 GPRESSURE: 4490800 127.485 192.47 -189.853 287.253 66.2426 77.0711 -77.5364 -3.9692 -46.9593 PRESSAVG: 4490800 10.4712 48.8287 8.15646 48.8288 -2.60199 3.26982 8.15647 3.26977 19.2335 GPRESSAVG: 4490800 11.3703 50.5164 7.5521 48.6172 -1.63773 2.22828 8.31827 2.89525 17.6844 TIMING: 4490800 CPU: 14271.1, 0.0031474/step Wall: 14271.1, 0.0031474/step, 0.445183 hours remaining, 239.183594 MB of memory in use. ENERGY: 4490800 3894.6528 20435.7959 14346.5314 234.4515 -203048.9721 2619.1667 0.0000 0.0000 51780.4235 -109737.9503 297.5828 -161518.3738 -109379.6107 298.3007 22.8206 48.9229 762628.2194 9.0342 9.1390 PRESSURE: 4491000 -223.785 162.943 -368.379 162.943 -600.755 241.771 -368.38 241.771 -249.071 GPRESSURE: 4491000 -170.056 134.779 -302.216 54.5852 -508.209 290.154 -320.48 96.9247 -303.907 PRESSAVG: 4491000 -10.668 19.3139 -39.3491 19.3139 6.09716 -5.43367 -39.3491 -5.43362 -12.3582 GPRESSAVG: 4491000 -9.94804 18.9425 -40.4048 17.9356 4.70153 -5.28227 -38.0505 -5.33939 -11.312 TIMING: 4491000 CPU: 14271.8, 0.00316567/step Wall: 14271.8, 0.00316567/step, 0.447591 hours remaining, 239.183594 MB of memory in use. ENERGY: 4491000 3984.3436 20581.0046 14312.2929 230.4023 -203282.6460 2544.8270 0.0000 0.0000 51785.3628 -109844.4128 297.6112 -161629.7756 -109494.3811 298.1013 -357.8704 -327.3905 760948.7661 -5.6430 -5.5195 PRESSURE: 4491200 -291.122 -285.405 -176.813 -285.406 -35.9867 111.041 -176.813 111.041 -201.588 GPRESSURE: 4491200 -201.812 -215.784 -230.069 -120.147 -94.5591 137.25 -221.741 179.124 -158.159 PRESSAVG: 4491200 -17.1742 13.4494 8.74589 13.4494 39.6674 17.711 8.7459 17.711 13.222 GPRESSAVG: 4491200 -17.5062 16.5299 9.47367 11.3272 39.6123 17.9561 6.80041 18.699 13.1188 TIMING: 4491200 CPU: 14272.4, 0.00318675/step Wall: 14272.4, 0.00318675/step, 0.450394 hours remaining, 239.183594 MB of memory in use. ENERGY: 4491200 3969.0689 20486.5653 14417.2841 253.3405 -203174.6760 2375.5086 0.0000 0.0000 52001.1051 -109671.8036 298.8511 -161672.9086 -109310.8125 298.4785 -176.2321 -151.5100 763085.6762 11.9051 11.7417 PRESSURE: 4491400 -29.1203 257.165 -20.472 257.164 -265.456 106.348 -20.4718 106.348 17.8621 GPRESSURE: 4491400 -79.4777 233.452 11.3209 188.139 -167.583 5.33759 -17.6451 170.639 39.1242 PRESSAVG: 4491400 -23.9111 18.5366 2.29207 18.5366 -20.0588 -11.3087 2.29206 -11.3087 -8.06322 GPRESSAVG: 4491400 -24.7358 17.1539 1.63636 19.3501 -19.9493 -11.8333 3.3242 -11.9891 -7.87244 TIMING: 4491400 CPU: 14273, 0.00320131/step Wall: 14273, 0.00320131/step, 0.452274 hours remaining, 239.183594 MB of memory in use. ENERGY: 4491400 3942.2335 20607.5550 14417.9826 253.4611 -203195.6552 2506.6219 0.0000 0.0000 51891.8067 -109575.9944 298.2229 -161467.8011 -109216.2031 298.5659 -92.2380 -69.3122 762528.9745 -17.3444 -17.5192 PRESSURE: 4491600 -32.6366 -201.92 127.337 -201.92 -57.0901 -31.2292 127.336 -31.2291 57.5372 GPRESSURE: 4491600 14.7739 -274.376 93.1225 -86.4885 -63.3504 -46.2236 46.7133 -96.1205 99.3416 PRESSAVG: 4491600 -13.6814 -51.1661 -8.16518 -51.1661 -17.1985 21.3243 -8.16518 21.3243 17.4225 GPRESSAVG: 4491600 -13.6021 -52.1714 -8.27359 -50.3764 -17.8721 20.2983 -8.85206 21.6356 17.5052 TIMING: 4491600 CPU: 14273.7, 0.00314645/step Wall: 14273.7, 0.00314645/step, 0.444349 hours remaining, 239.183594 MB of memory in use. ENERGY: 4491600 3958.7274 20462.4888 14387.3726 236.4841 -203321.9444 2607.6714 0.0000 0.0000 52217.9303 -109451.2698 300.0972 -161669.2001 -109093.8509 298.9971 -10.7298 16.9217 762642.8890 -4.4858 -4.6563 PRESSURE: 4491800 -41.0863 -105.642 -4.713 -105.642 63.3027 66.8406 -4.71201 66.8408 9.52758 GPRESSURE: 4491800 13.1827 -102.926 -49.6606 -63.7865 111.047 59.4187 -212.439 54.2916 -15.7122 PRESSAVG: 4491800 1.36394 -23.9816 -32.1068 -23.9816 43.4188 21.399 -32.1069 21.3989 -23.7924 GPRESSAVG: 4491800 0.54367 -22.6529 -31.922 -22.6276 44.2071 22.3629 -31.4756 22.2947 -23.9475 TIMING: 4491800 CPU: 14274.3, 0.00314885/step Wall: 14274.3, 0.00314885/step, 0.444513 hours remaining, 239.183594 MB of memory in use. ENERGY: 4491800 3958.6991 20687.2590 14437.8496 230.7008 -203230.4750 2514.8998 0.0000 0.0000 52084.0577 -109317.0089 299.3278 -161401.0666 -108965.3477 299.3013 10.5813 36.1724 761298.0330 6.9968 6.9344 PRESSURE: 4492000 -98.3282 262.104 -92.5485 262.104 20.2254 -140.383 -92.5487 -140.383 -188.716 GPRESSURE: 4492000 -69.0796 296.195 -77.1694 250.283 88.9357 -108.67 -132.294 -141.881 -177.691 PRESSAVG: 4492000 22.1456 -6.52843 -11.0418 -6.52838 -2.74619 3.88534 -11.0417 3.88538 -6.58674 GPRESSAVG: 4492000 23.3032 -6.92008 -9.11979 -5.93031 -3.3333 5.10277 -11.3031 2.21485 -6.72733 TIMING: 4492000 CPU: 14274.9, 0.00316265/step Wall: 14274.9, 0.00316265/step, 0.446285 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4492000 3976.8204 20512.4728 14420.4675 260.8695 -203235.5090 2542.7037 0.0000 0.0000 52273.0408 -109249.1343 300.4139 -161522.1751 -108883.8841 299.6476 -88.9397 -52.6115 761382.1243 4.2709 4.4142 PRESSURE: 4492200 -186.047 88.4822 -123.251 88.4826 185.835 50.7612 -123.252 50.7606 -148.557 GPRESSURE: 4492200 -159.171 122.94 -145.034 86.1919 187.897 -0.72566 -67.9548 87.1919 -92.8075 PRESSAVG: 4492200 -13.3461 -22.038 -37.0809 -22.038 2.89608 -18.226 -37.0809 -18.2261 12.2681 GPRESSAVG: 4492200 -14.1388 -21.8144 -38.1375 -23.1919 3.42193 -18.3914 -35.9516 -18.0767 12.6237 TIMING: 4492200 CPU: 14275.6, 0.00316543/step Wall: 14275.6, 0.00316543/step, 0.446502 hours remaining, 239.183594 MB of memory in use. ENERGY: 4492200 3991.4525 20435.1659 14414.5032 238.2388 -203042.4625 2466.6049 0.0000 0.0000 52139.3708 -109357.1263 299.6457 -161496.4972 -108993.1756 299.6782 -49.5895 -21.3605 762785.7102 0.6061 0.6356 LDB: ============= START OF LOAD BALANCING ============== 14288 LDB: ============== END OF LOAD BALANCING =============== 14288 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14288 LDB: ============= START OF LOAD BALANCING ============== 14288.3 LDB: Largest compute 7073 load 0.034841 is 17.8% of average load 0.196042 LDB: Average compute 0.004378 is 2.2% of average load 0.196042 LDB: TIME 14288.3 LOAD: AVG 0.196042 MAX 0.220614 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 14288.3 LOAD: AVG 0.196042 MAX 0.220614 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: TIME 14288.3 LOAD: AVG 0.196042 MAX 0.220614 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14288.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14288.3 PRESSURE: 4492400 -100.606 169.378 -169.532 169.378 -292.685 -9.96726 -169.533 -9.96673 102.539 GPRESSURE: 4492400 -125.629 162.508 -42.1574 22.3195 -183.099 15.3107 -209.581 -52.6827 104.997 PRESSAVG: 4492400 7.49967 -19.8215 2.45764 -19.8215 13.3958 16.2301 2.45768 16.2301 3.42831 GPRESSAVG: 4492400 8.38656 -19.5066 2.03925 -18.8018 13.8172 15.9323 -0.293523 17.2832 1.83914 TIMING: 4492400 CPU: 14276.2, 0.00323501/step Wall: 14276.2, 0.00323501/step, 0.456137 hours remaining, 238.468750 MB of memory in use. ENERGY: 4492400 4091.6825 20544.9042 14335.4473 250.4916 -203312.4762 2655.0161 0.0000 0.0000 52196.5421 -109238.3923 299.9742 -161434.9344 -108879.3392 299.2473 -96.9172 -67.9101 763397.9049 8.1079 8.0143 PRESSURE: 4492600 -416.99 -79.3267 61.3666 -79.3273 -185.456 208.758 61.3665 208.756 -108.869 GPRESSURE: 4492600 -331.692 -190.555 67.0198 -2.94582 -137.835 270.756 69.561 152.432 -129.746 PRESSAVG: 4492600 -76.8136 -51.8283 42.1897 -51.8283 81.196 -3.93372 42.1897 -3.93381 -2.11666 GPRESSAVG: 4492600 -76.1307 -53.4698 43.323 -51.6881 79.5873 -4.47533 45.3729 -5.46695 -0.734407 TIMING: 4492600 CPU: 14276.9, 0.00317293/step Wall: 14276.9, 0.00317293/step, 0.447207 hours remaining, 238.468750 MB of memory in use. ENERGY: 4492600 4011.7197 20698.0366 14349.8248 249.0216 -203107.4463 2587.8190 0.0000 0.0000 51977.0772 -109233.9475 298.7130 -161211.0246 -108873.1447 299.8940 -237.1047 -199.7577 764596.4071 0.7552 0.9074 PRESSURE: 4492800 -52.0478 -17.7897 -228.112 -17.7892 148.491 -86.601 -228.112 -86.6005 -61.2241 GPRESSURE: 4492800 4.96108 146.747 -244.93 40.6491 178.123 -109.736 -188.893 -120.158 -67.4887 PRESSAVG: 4492800 9.60446 10.7266 -3.33892 10.7267 22.9316 17.1535 -3.33896 17.1536 2.57492 GPRESSAVG: 4492800 10.107 11.7872 -3.16593 10.3455 23.6672 17.2773 -4.3053 16.5587 1.27569 TIMING: 4492800 CPU: 14277.5, 0.00316998/step Wall: 14277.5, 0.00316998/step, 0.446616 hours remaining, 238.468750 MB of memory in use. ENERGY: 4492800 4078.6307 20661.6157 14299.8127 249.9362 -203071.0015 2608.9187 0.0000 0.0000 51802.3917 -109369.6958 297.7091 -161172.0874 -109019.7147 299.8015 11.7397 38.5316 761019.5468 11.7036 11.6833 PRESSURE: 4493000 -194.439 264.609 -216.916 264.608 -353.483 -65.4729 -216.916 -65.4725 118.382 GPRESSURE: 4493000 -163.751 200.373 -148.175 146.571 -273.869 -8.35791 -257.634 72.4903 109.722 PRESSAVG: 4493000 56.9013 1.14787 -35.1756 1.14781 -60.4735 12.8526 -35.1756 12.8526 0.28554 GPRESSAVG: 4493000 55.648 2.81228 -36.6424 -0.41548 -60.0795 12.692 -35.4967 14.1294 1.48102 TIMING: 4493000 CPU: 14278.1, 0.00316881/step Wall: 14278.1, 0.0031688/step, 0.446273 hours remaining, 238.468750 MB of memory in use. ENERGY: 4493000 4059.0740 20599.3394 14404.0810 235.3821 -203417.8256 2486.5052 0.0000 0.0000 52217.3686 -109416.0753 300.0939 -161633.4439 -109046.5559 299.4748 -143.1799 -109.2990 759108.2868 -1.0956 -0.9835 PRESSURE: 4493200 -150.725 -143.186 18.8322 -143.186 197.185 -106.028 18.8325 -106.03 54.2363 GPRESSURE: 4493200 -132.304 -142.627 -6.65409 -28.4953 224.805 -66.2519 12.9965 -134.02 76.1059 PRESSAVG: 4493200 10.7548 -11.3488 -31.7969 -11.3487 -1.77768 -20.0239 -31.7969 -20.0239 -14.0423 GPRESSAVG: 4493200 11.0667 -12.3567 -30.7939 -10.5073 -2.1356 -18.4397 -34.0469 -18.9282 -14.5756 TIMING: 4493200 CPU: 14278.8, 0.00316339/step Wall: 14278.8, 0.00316339/step, 0.445334 hours remaining, 238.468750 MB of memory in use. ENERGY: 4493200 3998.2020 20621.9323 14353.4639 248.6009 -203258.8616 2530.5638 0.0000 0.0000 52097.9981 -109408.1005 299.4079 -161506.0986 -109051.4379 299.6554 33.5656 56.2022 760277.3947 -1.6884 -1.8815 PRESSURE: 4493400 -360.359 -125.177 -167.971 -125.176 -97.0629 161.62 -167.97 161.62 149.087 GPRESSURE: 4493400 -340.909 -115.827 -211.236 -152.261 12.5362 231.689 -111.976 104.241 106.649 PRESSAVG: 4493400 -14.6527 -14.6526 -10.8958 -14.6525 1.62172 13.3633 -10.8958 13.3633 -11.6122 GPRESSAVG: 4493400 -15.3896 -15.7177 -9.3165 -15.3747 2.05254 13.0052 -9.02674 12.2625 -10.9544 TIMING: 4493400 CPU: 14279.4, 0.00314738/step Wall: 14279.4, 0.00314738/step, 0.442906 hours remaining, 238.468750 MB of memory in use. ENERGY: 4493400 3964.4008 20546.8366 14401.2920 237.5173 -203215.7649 2653.4835 0.0000 0.0000 51980.9149 -109431.3198 298.7350 -161412.2347 -109052.7862 299.1144 -102.7783 -73.9079 762598.8437 -8.2144 -8.0971 PRESSURE: 4493600 43.3492 27.3297 -171.763 27.3299 -133.936 266.049 -171.763 266.048 161.22 GPRESSURE: 4493600 112.313 88.761 -149.898 48.3852 -36.4755 295.674 -71.2451 237.853 62.7282 PRESSAVG: 4493600 2.91004 -64.918 -31.3732 -64.9179 -60.4706 2.0416 -31.3732 2.04156 -25.144 GPRESSAVG: 4493600 4.6225 -64.0862 -30.9948 -63.6941 -60.3063 0.485342 -31.3772 2.63052 -26.4945 TIMING: 4493600 CPU: 14280, 0.00314742/step Wall: 14280, 0.00314742/step, 0.442737 hours remaining, 238.468750 MB of memory in use. ENERGY: 4493600 4052.8707 20541.0043 14363.9076 228.2934 -203245.4427 2671.4295 0.0000 0.0000 52315.8390 -109072.0980 300.6598 -161387.9371 -108710.9222 299.6860 23.5444 46.1886 761803.3365 -27.5682 -27.3928 PRESSURE: 4493800 -72.0221 -4.56106 -55.8292 -4.56142 -133.432 -52.5861 -55.8288 -52.5865 281.05 GPRESSURE: 4493800 -69.1511 -30.5106 -19.5514 13.4608 -81.2771 -74.4207 -140.668 -6.01261 305.196 PRESSAVG: 4493800 21.7984 -14.4194 -14.0493 -14.4193 -2.95659 8.9745 -14.0493 8.97444 10.7541 GPRESSAVG: 4493800 21.1762 -16.0462 -15.2151 -14.8773 -3.82382 9.81065 -14.154 8.85977 12.3874 TIMING: 4493800 CPU: 14280.6, 0.00314651/step Wall: 14280.6, 0.00314651/step, 0.442435 hours remaining, 238.468750 MB of memory in use. ENERGY: 4493800 3945.9433 20688.8373 14455.0290 238.9517 -202858.9040 2375.0752 0.0000 0.0000 51915.9126 -109239.1548 298.3615 -161155.0675 -108879.3850 299.7266 25.1989 51.5893 762867.3592 9.8653 9.9133 PRESSURE: 4494000 -15.0516 -85.1984 -52.9706 -85.1977 -260.898 -47.3075 -52.9713 -47.308 -44.1743 GPRESSURE: 4494000 -72.7914 -55.6013 3.46695 -103.459 -181.659 -38.3064 -54.6086 -91.189 12.6987 PRESSAVG: 4494000 -21.7897 -41.1801 0.743537 -41.1801 -35.6194 -16.4328 0.743558 -16.4328 14.1855 GPRESSAVG: 4494000 -22.1449 -39.3561 1.28706 -40.987 -35.381 -14.9126 1.42415 -16.282 14.1741 TIMING: 4494000 CPU: 14281.3, 0.00316302/step Wall: 14281.3, 0.00316302/step, 0.44458 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4494000 3990.9481 20586.5065 14442.8221 249.0125 -202694.9053 2331.2701 0.0000 0.0000 52153.3527 -108940.9933 299.7260 -161094.3460 -108575.8161 300.1234 -106.7080 -80.5837 762800.1596 -14.4079 -14.4506 PRESSURE: 4494200 -97.3827 -143.199 -66.338 -143.199 -155.228 54.275 -66.3383 54.2757 548.244 GPRESSURE: 4494200 -29.3888 -69.585 4.03658 -156.273 -115.953 117.867 -118.944 34.3887 538.916 PRESSAVG: 4494200 59.0264 -14.6466 -30.0679 -14.6466 0.962145 -47.1619 -30.0679 -47.1619 0.213089 GPRESSAVG: 4494200 58.1711 -14.5224 -30.5668 -15.8359 1.77219 -47.7675 -31.4448 -46.9928 0.148716 TIMING: 4494200 CPU: 14281.9, 0.00317372/step Wall: 14281.9, 0.00317372/step, 0.445907 hours remaining, 238.468750 MB of memory in use. ENERGY: 4494200 4068.7089 20717.0700 14430.6414 231.6387 -202995.6273 2410.7685 0.0000 0.0000 52261.5337 -108875.2660 300.3478 -161136.7996 -108512.4430 300.2913 98.5443 131.1914 761991.3692 20.0672 20.0307 PRESSURE: 4494400 -99.3524 169.961 -14.1228 169.962 127.961 -27.5058 -14.1231 -27.5061 194.609 GPRESSURE: 4494400 -96.4885 187.852 -27.8274 -20.3454 91.7195 -8.54263 76.7645 -61.4151 294.363 PRESSAVG: 4494400 -21.7458 -10.8554 6.52532 -10.8554 27.9269 -21.1732 6.52537 -21.1731 -9.33635 GPRESSAVG: 4494400 -20.6293 -11.1576 7.4146 -10.2827 27.0078 -20.7329 6.40966 -23.1062 -10.0327 TIMING: 4494400 CPU: 14282.5, 0.00317989/step Wall: 14282.5, 0.00317989/step, 0.446598 hours remaining, 238.468750 MB of memory in use. ENERGY: 4494400 3967.4848 20649.4288 14440.6054 267.1779 -202982.5742 2452.1177 0.0000 0.0000 52355.0923 -108850.6673 300.8854 -161205.7596 -108486.0818 300.3734 74.4060 96.5314 762846.0975 -1.0518 -1.2181 PRESSURE: 4494600 391.446 -271.542 -169.97 -271.542 247.681 132.149 -169.97 132.148 191.461 GPRESSURE: 4494600 353.997 -271.681 -118.058 -244.577 357.446 109.302 -1.97134 80.8978 209.505 PRESSAVG: 4494600 -8.45393 -28.2679 -4.71768 -28.2678 -1.02141 -46.7937 -4.71769 -46.7936 1.24596 GPRESSAVG: 4494600 -9.19387 -25.909 -4.47671 -30.629 -0.400321 -48.1608 -3.19701 -44.5171 1.58498 TIMING: 4494600 CPU: 14283.2, 0.0031631/step Wall: 14283.2, 0.0031631/step, 0.444063 hours remaining, 238.468750 MB of memory in use. ENERGY: 4494600 3970.5582 20538.2637 14453.6434 234.9753 -203314.6611 2919.8658 0.0000 0.0000 52126.0767 -109071.2780 299.5693 -161197.3547 -108713.2967 300.3061 276.8625 306.9826 761358.8047 -2.7431 -2.6697 PRESSURE: 4494800 -67.5252 -217.627 54.4925 -217.626 -247.482 -166.756 54.4922 -166.755 -42.1244 GPRESSURE: 4494800 -18.6948 -190.716 71.0508 -35.7129 -286.895 -235.235 -43.6772 -122.857 32.0794 PRESSAVG: 4494800 37.4947 -99.5305 -24.8358 -99.5306 11.4634 -16.5436 -24.8358 -16.5436 -1.12004 GPRESSAVG: 4494800 36.7804 -101.485 -26.6724 -96.6949 10.5571 -16.7097 -23.8166 -17.0006 -0.300424 TIMING: 4494800 CPU: 14283.8, 0.00317071/step Wall: 14283.8, 0.00317071/step, 0.444957 hours remaining, 238.468750 MB of memory in use. ENERGY: 4494800 3974.7034 20499.8095 14456.8237 239.5212 -202827.4218 2329.5742 0.0000 0.0000 52377.8172 -108949.1725 301.0160 -161326.9897 -108568.9197 300.2318 -119.0437 -91.1702 762646.8682 15.9460 15.6790 PRESSURE: 4495000 -558.515 -198.171 210.849 -198.17 -147.455 62.2932 210.849 62.2934 -443.975 GPRESSURE: 4495000 -538.948 -209.778 276.284 -269.234 -44.7531 42.1559 201.847 18.4573 -476.281 PRESSAVG: 4495000 -33.6066 -47.5327 18.5111 -47.5326 19.0539 -10.5465 18.5111 -10.5464 -1.85944 GPRESSAVG: 4495000 -31.8473 -46.6827 19.1167 -50.0036 19.0876 -9.41452 16.1055 -12.4665 -3.38964 TIMING: 4495000 CPU: 14284.4, 0.00316354/step Wall: 14284.4, 0.00316354/step, 0.443774 hours remaining, 238.468750 MB of memory in use. ENERGY: 4495000 3955.1951 20673.4897 14387.4384 228.4253 -202793.9934 1838.6158 0.0000 0.0000 52621.8159 -109089.0132 302.4183 -161710.8290 -108721.9304 300.4778 -383.3153 -353.3275 762669.8970 -5.4707 -5.3831 PRESSURE: 4495200 -167.578 -155.869 -74.837 -155.869 -254.969 -191.191 -74.836 -191.191 -136.347 GPRESSURE: 4495200 -168.656 -159.899 -82.5828 -258.076 -244.527 -179.063 -53.2339 2.2103 -85.351 PRESSAVG: 4495200 -35.2124 -33.062 8.1281 -33.062 35.6929 -48.266 8.12808 -48.2659 -7.28762 GPRESSAVG: 4495200 -36.2738 -32.8174 8.19458 -30.6496 35.6232 -48.5389 10.2884 -48.9684 -6.34262 TIMING: 4495200 CPU: 14285.1, 0.00318855/step Wall: 14285.1, 0.00318855/step, 0.447105 hours remaining, 238.468750 MB of memory in use. ENERGY: 4495200 4059.4209 20763.4216 14433.6415 242.2079 -203304.3015 2392.3078 0.0000 0.0000 52267.0085 -109146.2933 300.3792 -161413.3018 -108777.7264 300.6978 -186.2979 -166.1783 762073.0335 -2.2691 -2.3311 PRESSURE: 4495400 174.615 -281.474 128.793 -281.474 -38.1993 -54.854 128.793 -54.8534 348.145 GPRESSURE: 4495400 243.199 -148.213 109.19 -217.876 -17.9497 -134.069 233.468 16.6818 341.168 PRESSAVG: 4495400 10.9064 -60.7752 6.60064 -60.7753 10.1513 -10.5669 6.60066 -10.5669 -3.38721 GPRESSAVG: 4495400 11.3373 -61.5916 7.1504 -60.8783 9.8939 -9.54448 6.23492 -7.7353 -2.87453 TIMING: 4495400 CPU: 14285.7, 0.00318111/step Wall: 14285.7, 0.00318111/step, 0.445886 hours remaining, 238.468750 MB of memory in use. ENERGY: 4495400 3941.5139 20573.6491 14426.9332 241.9338 -203216.6811 2526.6136 0.0000 0.0000 52406.8419 -109099.1956 301.1828 -161506.0374 -108739.1212 300.7556 161.5203 188.8058 760848.5708 5.8901 6.1189 PRESSURE: 4495600 -151.908 -277.603 228.788 -277.603 -80.7033 25.607 228.788 25.6075 -212.211 GPRESSURE: 4495600 -67.4634 -180.791 250.131 -278.915 -78.6315 43.8845 151.381 3.56059 -214.273 PRESSAVG: 4495600 -12.6947 -52.0884 65.6021 -52.0884 -22.1669 -9.17133 65.602 -9.17127 14.2089 GPRESSAVG: 4495600 -11.2299 -53.8026 62.7674 -52.9711 -22.3895 -9.07214 65.8942 -10.5643 13.0642 TIMING: 4495600 CPU: 14286.4, 0.00327196/step Wall: 14286.4, 0.00327196/step, 0.458437 hours remaining, 238.468750 MB of memory in use. ENERGY: 4495600 3993.1258 20548.7688 14471.0351 259.6952 -203501.7750 2688.6926 0.0000 0.0000 52300.8441 -109239.6134 300.5737 -161540.4575 -108861.7403 300.2063 -148.2742 -120.1227 763026.0852 -6.8843 -6.8517 PRESSURE: 4495800 138.458 47.366 95.1079 47.3665 -7.31576 23.9411 95.1086 23.9414 -317.015 GPRESSURE: 4495800 190.981 89.6333 -2.37239 80.7921 -21.5373 75.9488 72.1261 -33.5185 -269.112 PRESSAVG: 4495800 12.6665 -0.370202 4.68349 -0.370186 -34.8396 9.12657 4.68358 9.12657 11.1021 GPRESSAVG: 4495800 11.9607 1.49826 6.77706 -0.480377 -34.0445 6.96181 3.54344 10.1871 10.3866 TIMING: 4495800 CPU: 14287, 0.00320002/step Wall: 14287, 0.00320002/step, 0.448181 hours remaining, 238.468750 MB of memory in use. ENERGY: 4495800 4035.5488 20672.8554 14352.8225 260.9942 -203420.8434 2571.2851 0.0000 0.0000 52117.6620 -109409.6754 299.5209 -161527.3374 -109061.9004 300.2468 -61.9574 -33.2227 762299.3812 -3.6904 -3.8990 PRESSURE: 4496000 -93.7987 43.108 219.407 43.1076 -264.972 176.231 219.407 176.232 -150.449 GPRESSURE: 4496000 -124.031 -88.157 202.89 25.8677 -142.751 78.798 173.837 122.405 -148.453 PRESSAVG: 4496000 58.1097 -14.1928 -18.148 -14.1928 -107.58 33.3923 -18.148 33.3924 -5.61037 GPRESSAVG: 4496000 58.3814 -14.3035 -19.1614 -14.2066 -109.036 34.7061 -18.1777 30.7746 -4.50884 TIMING: 4496000 CPU: 14287.6, 0.00317054/step Wall: 14287.6, 0.00317054/step, 0.443876 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4496000 4161.9600 20645.0404 14357.4670 254.0891 -203179.8533 2600.2219 0.0000 0.0000 51956.9797 -109204.0952 298.5975 -161161.0749 -108850.6449 300.2260 -169.7398 -138.4116 762502.6209 -18.3603 -18.3879 PRESSURE: 4496200 -93.0267 44.5747 -114.321 44.5741 3.19564 236.928 -114.321 236.929 -96.9577 GPRESSURE: 4496200 -17.7033 15.9642 -153.42 23.9492 -4.62038 291.579 -77.2841 128.648 -101.438 PRESSAVG: 4496200 37.5324 -4.1431 28.4378 -4.14313 7.12274 21.1248 28.4378 21.1248 -15.9397 GPRESSAVG: 4496200 36.8328 -6.0618 28.6651 -3.31672 9.81005 20.6021 28.4675 21.6099 -17.5798 TIMING: 4496200 CPU: 14288.3, 0.00319072/step Wall: 14288.3, 0.00319072/step, 0.446524 hours remaining, 238.468750 MB of memory in use. ENERGY: 4496200 4008.4541 20679.6178 14412.9913 245.9756 -203423.4296 2602.7053 0.0000 0.0000 52173.5827 -109300.1028 299.8423 -161473.6855 -108946.0145 299.9350 -62.2629 -41.2538 761404.0137 9.5718 9.6877 LDB: ============= START OF LOAD BALANCING ============== 14300.7 LDB: ============== END OF LOAD BALANCING =============== 14300.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14300.7 LDB: ============= START OF LOAD BALANCING ============== 14301 LDB: Largest compute 7027 load 0.035804 is 18.3% of average load 0.195992 LDB: Average compute 0.004389 is 2.2% of average load 0.195992 LDB: TIME 14301 LOAD: AVG 0.195992 MAX 0.222969 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.891 MB LDB: TIME 14301 LOAD: AVG 0.195992 MAX 0.222969 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.895 MB LDB: TIME 14301 LOAD: AVG 0.195992 MAX 0.217949 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.895 MB LDB: ============== END OF LOAD BALANCING =============== 14301 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14301 PRESSURE: 4496400 19.261 -67.0963 19.6869 -67.096 -178.621 -91.826 19.687 -91.826 -113.033 GPRESSURE: 4496400 164.999 -27.7519 45.5794 -81.4533 -211.01 -111.597 -40.0623 55.5316 -170.27 PRESSAVG: 4496400 41.0485 12.2273 19.8 12.2272 -47.186 -51.5262 19.8 -51.5261 -26.0709 GPRESSAVG: 4496400 41.0098 14.9802 19.7167 11.5709 -49.6063 -50.8752 18.6188 -50.7664 -24.1093 TIMING: 4496400 CPU: 14288.9, 0.00323395/step Wall: 14288.9, 0.00323395/step, 0.452394 hours remaining, 238.210938 MB of memory in use. ENERGY: 4496400 3995.3441 20574.4334 14514.4128 241.3857 -203381.5648 2606.3357 0.0000 0.0000 52210.6478 -109239.0053 300.0553 -161449.6531 -108869.0267 299.6115 -90.7978 -72.0938 762556.8243 -10.7361 -10.9019 PRESSURE: 4496600 -105.038 97.7096 -163.343 97.7099 -38.514 -194.869 -163.344 -194.869 11.8707 GPRESSURE: 4496600 -19.0646 195.82 -180.606 -21.1653 -42.9835 -205.569 -57.1552 -166.82 22.7927 PRESSAVG: 4496600 49.0831 -94.2281 -10.2872 -94.2281 -27.9692 25.9347 -10.2872 25.9347 -8.32221 GPRESSAVG: 4496600 48.3336 -94.0869 -11.9404 -94.4343 -25.9835 26.827 -7.65283 26.5011 -9.0202 TIMING: 4496600 CPU: 14289.6, 0.00315661/step Wall: 14289.6, 0.00315661/step, 0.441399 hours remaining, 238.414062 MB of memory in use. ENERGY: 4496600 4066.8678 20583.2783 14385.5919 236.5697 -203166.5082 2493.3625 0.0000 0.0000 52306.8355 -109094.0025 300.6081 -161400.8380 -108739.2511 300.0802 -43.8937 -13.0851 762408.9295 4.2639 4.4433 PRESSURE: 4496800 24.9758 -94.3393 -8.48089 -94.3394 186.682 93.984 -8.48018 93.9842 261.245 GPRESSURE: 4496800 60.9204 -139.53 -26.5506 -167.258 270.182 51.5531 -58.7571 -28.8595 244.065 PRESSAVG: 4496800 68.3912 -37.5487 -1.75281 -37.5487 -49.6053 -7.44054 -1.75281 -7.44053 3.69854 GPRESSAVG: 4496800 69.6597 -40.1781 1.10513 -37.0787 -50.5196 -8.44006 -2.99995 -8.37709 3.89804 TIMING: 4496800 CPU: 14290.2, 0.00315969/step Wall: 14290.2, 0.00315969/step, 0.441654 hours remaining, 238.414062 MB of memory in use. ENERGY: 4496800 3981.3520 20537.0093 14421.7501 239.6654 -202728.7852 2511.2961 0.0000 0.0000 52064.6027 -108973.1097 299.2160 -161037.7124 -108619.7510 300.1887 157.6343 191.7221 761331.4954 7.4948 7.6794 PRESSURE: 4497000 -73.9618 -128.524 12.4346 -128.524 133.911 102.229 12.4353 102.229 -68.266 GPRESSURE: 4497000 -46.9355 -92.8804 50.3294 -264.382 191.234 80.8146 104.051 50.9237 -59.8815 PRESSAVG: 4497000 62.6378 -37.7002 12.909 -37.7002 -97.2433 -5.72751 12.9089 -5.7275 2.55956 GPRESSAVG: 4497000 63.0644 -36.5298 12.1117 -39.0834 -98.1476 -6.64364 12.1063 -4.42089 2.78052 TIMING: 4497000 CPU: 14290.8, 0.00315174/step Wall: 14290.8, 0.00315174/step, 0.440368 hours remaining, 238.414062 MB of memory in use. ENERGY: 4497000 4002.7583 20572.3922 14437.8930 239.0357 -203436.2678 2744.3617 0.0000 0.0000 52424.8369 -109014.9901 301.2863 -161439.8270 -108657.0777 300.3901 -2.7723 28.1389 760586.1367 -10.6820 -10.7676 PRESSURE: 4497200 -62.074 -66.9582 239.161 -66.9578 75.7179 -181.465 239.161 -181.464 -300.613 GPRESSURE: 4497200 -79.1894 22.1149 327.621 -84.2747 168.44 -159.285 198.072 -144.843 -296.892 PRESSAVG: 4497200 -8.12046 -41.337 42.654 -41.337 22.412 -57.0547 42.654 -57.0547 -29.4767 GPRESSAVG: 4497200 -10.0999 -39.0563 42.0089 -40.3556 24.1311 -54.8433 42.2971 -57.2217 -29.8818 TIMING: 4497200 CPU: 14291.5, 0.00316188/step Wall: 14291.5, 0.00316189/step, 0.44161 hours remaining, 238.414062 MB of memory in use. ENERGY: 4497200 4080.7949 20547.4243 14469.2979 237.5411 -203344.9663 2575.6972 0.0000 0.0000 52322.1685 -109112.0424 300.6962 -161434.2109 -108748.1795 300.9163 -95.6562 -69.2140 761673.0972 -5.0617 -5.2835 PRESSURE: 4497400 51.4612 123.946 57.8453 123.945 -489.846 -29.7707 57.8449 -29.7706 -7.15411 GPRESSURE: 4497400 81.213 24.035 134.983 61.0049 -511.378 -66.815 123.013 5.95729 51.7815 PRESSAVG: 4497400 85.5773 -16.7269 -12.2512 -16.7269 -70.7741 8.03594 -12.2512 8.036 4.05516 GPRESSAVG: 4497400 85.1746 -20.8856 -12.8231 -13.9172 -70.5369 8.47647 -11.7255 7.00027 4.36783 TIMING: 4497400 CPU: 14292.1, 0.00318147/step Wall: 14292.1, 0.00318147/step, 0.444169 hours remaining, 238.414062 MB of memory in use. ENERGY: 4497400 4105.0757 20550.4992 14390.3139 228.0261 -203154.1875 2316.1182 0.0000 0.0000 52314.8051 -109249.3492 300.6539 -161564.1543 -108893.7250 300.1260 -148.5130 -126.1279 760408.7229 6.2861 6.3352 PRESSURE: 4497600 -196.461 -29.2414 -363.618 -29.2414 143.698 29.6603 -363.618 29.6616 -102.469 GPRESSURE: 4497600 -140.382 86.2558 -274.703 -34.3917 158.077 19.2558 -275.633 56.9909 -82.7414 PRESSAVG: 4497600 15.407 -16.5625 -40.1788 -16.5626 -50.9677 -1.39905 -40.1788 -1.39894 8.25719 GPRESSAVG: 4497600 16.1418 -14.2147 -39.429 -18.0549 -51.4575 -2.85496 -38.8476 -1.44109 8.00294 TIMING: 4497600 CPU: 14292.7, 0.00318161/step Wall: 14292.7, 0.00318161/step, 0.444011 hours remaining, 238.414062 MB of memory in use. ENERGY: 4497600 4000.1842 20593.5749 14417.5394 246.3925 -203024.0219 2278.8072 0.0000 0.0000 51959.9909 -109527.5328 298.6148 -161487.5237 -109174.5452 300.2228 -51.7439 -21.6819 761358.3639 -9.1012 -9.1043 PRESSURE: 4497800 91.1685 -116.412 123.371 -116.412 -202.13 4.28917 123.371 4.28981 -260.136 GPRESSURE: 4497800 161.715 -151.764 180.381 -104.959 -176.989 29.5821 41.0145 22.7956 -266.263 PRESSAVG: 4497800 35.9545 -44.8016 -22.6914 -44.8017 -28.3447 10.6201 -22.6914 10.6202 -7.06738 GPRESSAVG: 4497800 36.753 -45.1532 -22.2587 -45.4915 -28.612 11.0655 -24.6036 9.27541 -6.96674 TIMING: 4497800 CPU: 14293.4, 0.00316795/step Wall: 14293.4, 0.00316795/step, 0.44193 hours remaining, 238.414062 MB of memory in use. ENERGY: 4497800 4016.3055 20557.9020 14390.7234 271.6920 -203154.7262 2266.3443 0.0000 0.0000 51904.9637 -109746.7953 298.2985 -161651.7590 -109380.5885 299.1830 -123.6990 -93.8455 760402.1222 0.1808 0.3914 PRESSURE: 4498000 165.777 -134.295 -5.18883 -134.295 -59.7541 371.815 -5.18831 371.814 -38.6487 GPRESSURE: 4498000 138.116 -77.0122 2.79511 -91.0476 24.3771 412.538 -47.1891 278.547 5.50417 PRESSAVG: 4498000 16.6088 -37.5322 -44.3154 -37.5323 -54.6187 16.8892 -44.3155 16.8892 6.69795 GPRESSAVG: 4498000 14.6396 -36.1391 -44.2075 -38.1598 -53.4077 18.3305 -43.6391 16.5146 7.83096 TIMING: 4498000 CPU: 14294, 0.00315961/step Wall: 14294, 0.00315961/step, 0.440591 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4498000 4069.7412 20369.4823 14442.1667 236.0633 -203642.6810 2687.5608 0.0000 0.0000 51754.6617 -110083.0051 297.4348 -161837.6668 -109718.4391 298.6106 22.4580 55.9991 760667.3219 -10.4373 -10.3124 PRESSURE: 4498200 -272.835 -56.4709 -90.6911 -56.4726 -89.1197 60.8833 -90.6918 60.8835 297.915 GPRESSURE: 4498200 -193.436 10.8267 -43.0392 54.9866 -114.007 97.0019 -102.638 -17.7984 322.936 PRESSAVG: 4498200 16.2448 15.576 -48.5843 15.576 47.7751 -15.1796 -48.5842 -15.1796 16.0907 GPRESSAVG: 4498200 17.47 14.0429 -47.2333 16.3722 47.1875 -15.5524 -48.4806 -13.6517 15.4124 TIMING: 4498200 CPU: 14294.6, 0.00318636/step Wall: 14294.6, 0.00318635/step, 0.444142 hours remaining, 238.414062 MB of memory in use. ENERGY: 4498200 3999.9402 20432.1300 14405.1202 238.5613 -203545.0028 2502.4177 0.0000 0.0000 52150.6008 -109816.2326 299.7102 -161966.8334 -109454.1502 298.2623 -21.3467 5.1644 762373.3380 26.7035 26.6899 PRESSURE: 4498400 18.6587 -125.002 -22.0089 -125.003 16.3525 121.858 -22.01 121.859 93.6796 GPRESSURE: 4498400 162.561 -108.253 -86.1583 -182.949 62.9443 53.0607 -35.4042 250.145 6.59246 PRESSAVG: 4498400 61.3291 -35.1873 -27.1828 -35.1873 -18.5741 10.7939 -27.1827 10.7939 25.2965 GPRESSAVG: 4498400 62.2378 -34.7679 -28.6983 -33.5733 -18.6722 8.59396 -28.4654 10.8587 24.4337 TIMING: 4498400 CPU: 14295.3, 0.0031736/step Wall: 14295.3, 0.00317361/step, 0.442189 hours remaining, 238.414062 MB of memory in use. ENERGY: 4498400 3991.7441 20600.7473 14349.7197 250.9100 -203664.7882 2793.1007 0.0000 0.0000 51643.9505 -110034.6160 296.7985 -161678.5664 -109666.3484 298.3897 42.8970 77.3661 761208.0395 22.6838 22.6664 PRESSURE: 4498600 -493.464 119.886 60.2739 119.886 -138.534 -101.093 60.2736 -101.094 -69.8214 GPRESSURE: 4498600 -376.113 -4.89662 94.7075 31.4125 -188.173 -52.8731 26.6574 -156.357 -47.45 PRESSAVG: 4498600 12.7028 -22.3942 -49.0862 -22.3943 -7.89021 -5.30225 -49.0862 -5.30231 -9.90221 GPRESSAVG: 4498600 12.9731 -23.2089 -47.7046 -24.6648 -8.85247 -3.01329 -46.6827 -3.84536 -8.96932 TIMING: 4498600 CPU: 14295.9, 0.00316922/step Wall: 14295.9, 0.00316922/step, 0.441401 hours remaining, 238.414062 MB of memory in use. ENERGY: 4498600 3990.0596 20472.2202 14342.9034 246.3187 -203248.5788 2304.9751 0.0000 0.0000 51863.4354 -110028.6663 298.0599 -161892.1017 -109668.8674 298.3421 -233.9400 -203.9120 762931.6944 -1.6965 -1.6162 PRESSURE: 4498800 -69.0336 -69.0742 -15.4341 -69.0736 119.233 86.3906 -15.4344 86.3911 187.033 GPRESSURE: 4498800 -47.9683 -31.3258 -3.75903 -140.068 139.577 61.3462 13.9576 40.5993 216.295 PRESSAVG: 4498800 -3.61314 6.10926 -17.127 6.10928 -16.561 9.9281 -17.1271 9.9281 6.73719 GPRESSAVG: 4498800 -4.12861 7.0362 -17.6555 6.42398 -14.9088 10.5292 -18.4059 7.0116 5.24042 TIMING: 4498800 CPU: 14296.5, 0.00314719/step Wall: 14296.5, 0.00314719/step, 0.438159 hours remaining, 238.414062 MB of memory in use. ENERGY: 4498800 3970.4331 20536.3914 14451.4436 252.2256 -203864.3988 2914.5008 0.0000 0.0000 51953.5701 -109785.8342 298.5779 -161739.4043 -109419.6312 298.2617 79.0773 102.6347 762725.7169 -4.4790 -4.5990 PRESSURE: 4499000 -34.62 -34.3634 -16.589 -34.3644 -25.727 -113.796 -16.5891 -113.796 188.847 GPRESSURE: 4499000 76.9362 16.6726 -10.8099 -96.7593 4.2402 -12.3245 -40.1472 -195.666 115.044 PRESSAVG: 4499000 -23.7242 3.9955 -6.71259 3.99548 24.292 -23.717 -6.71256 -23.717 19.6031 GPRESSAVG: 4499000 -24.1904 4.30954 -5.47212 3.74843 23.3821 -23.6119 -7.35953 -22.6937 20.6861 TIMING: 4499000 CPU: 14297.2, 0.00316113/step Wall: 14297.2, 0.00316113/step, 0.439924 hours remaining, 238.414062 MB of memory in use. ENERGY: 4499000 4021.5937 20509.8943 14410.6851 256.8681 -203731.8190 2760.2164 0.0000 0.0000 51978.6342 -109793.9272 298.7219 -161772.5614 -109423.7286 298.1680 42.8332 65.4068 761732.7955 6.7236 6.6259 PRESSURE: 4499200 24.7805 91.0984 236.242 91.0984 -271.168 -128.84 236.243 -128.84 135.97 GPRESSURE: 4499200 40.2091 53.4738 188.146 79.8879 -294.48 -139.345 200.359 -190.025 232.192 PRESSAVG: 4499200 -0.61325 -6.43366 8.95179 -6.43369 26.7323 55.3777 8.95179 55.3777 1.44547 GPRESSAVG: 4499200 -0.907237 -6.24385 9.6289 -7.20853 27.6698 53.6545 9.36681 55.0347 1.21096 TIMING: 4499200 CPU: 14297.8, 0.00316528/step Wall: 14297.8, 0.00316528/step, 0.440325 hours remaining, 238.414062 MB of memory in use. ENERGY: 4499200 3977.6229 20447.3374 14428.8714 232.9329 -203650.3947 2802.0101 0.0000 0.0000 52003.1200 -109758.5000 298.8626 -161761.6200 -109397.5072 298.5793 -36.8058 -7.3597 761850.3062 9.1882 9.3245 PRESSURE: 4499400 -70.8404 187.898 -13.4688 187.898 -29.2107 -241.124 -13.4684 -241.124 -308.156 GPRESSURE: 4499400 -66.7649 132.75 -46.1949 95.5555 12.8754 -265.355 -87.5197 -151.479 -279.939 PRESSAVG: 4499400 -37.059 18.3107 40.1082 18.3108 -20.2913 -18.1264 40.1082 -18.1264 -0.387187 GPRESSAVG: 4499400 -36.9146 17.9123 38.634 20.0521 -20.5526 -17.0374 40.0755 -16.5431 -0.90767 TIMING: 4499400 CPU: 14298.4, 0.00314636/step Wall: 14298.4, 0.00314636/step, 0.437518 hours remaining, 238.414062 MB of memory in use. ENERGY: 4499400 4000.7071 20524.1816 14428.5464 240.8294 -203715.2411 2768.2568 0.0000 0.0000 52242.1793 -109510.5404 300.2365 -161752.7198 -109137.9662 299.1177 -136.0690 -111.2763 762582.4306 -19.2458 -19.4583 PRESSURE: 4499600 -32.7363 189.29 26.8441 189.288 10.5042 -275.497 26.844 -275.496 -78.8708 GPRESSURE: 4499600 23.7051 155.465 55.4896 87.6298 54.6532 -327.323 -10.0611 -170.526 -98.9365 PRESSAVG: 4499600 6.98633 6.75089 -17.944 6.75086 5.44199 17.141 -17.944 17.141 -14.7511 GPRESSAVG: 4499600 7.72533 5.28212 -17.0552 6.66844 4.84326 15.4209 -19.067 18.7324 -14.9178 TIMING: 4499600 CPU: 14299.1, 0.00317019/step Wall: 14299.1, 0.00317019/step, 0.440657 hours remaining, 238.414062 MB of memory in use. ENERGY: 4499600 3988.1846 20440.3969 14494.3902 244.2111 -203172.7924 2518.6140 0.0000 0.0000 52152.7263 -109334.2694 299.7224 -161486.9957 -108978.6897 299.4322 -33.7010 -6.8594 762817.4315 -0.7743 -0.7831 PRESSURE: 4499800 -459.707 141.362 -118.584 141.362 93.9266 117.536 -118.583 117.535 162.241 GPRESSURE: 4499800 -407.514 164.208 -136.607 104.101 158.308 35.3597 -67.9924 161.306 144.568 PRESSAVG: 4499800 -14.2645 2.77235 -22.3502 2.77235 65.1999 72.8414 -22.3502 72.8414 -9.17554 GPRESSAVG: 4499800 -13.4934 2.78382 -22.7325 3.14843 64.4164 74.7866 -21.6576 70.4634 -8.89215 TIMING: 4499800 CPU: 14299.7, 0.00316579/step Wall: 14299.7, 0.00316579/step, 0.439869 hours remaining, 238.414062 MB of memory in use. ENERGY: 4499800 4007.1250 20446.9707 14381.2303 239.8748 -203469.6312 2663.6661 0.0000 0.0000 52280.9342 -109449.8302 300.4592 -161730.7644 -109091.0223 299.7748 -67.8464 -34.8791 761008.6155 13.9199 14.0103 PRESSURE: 4500000 -355.636 -168.662 9.89836 -168.662 -75.1313 236.91 9.89809 236.909 129.635 GPRESSURE: 4500000 -323.166 -217.897 54.9419 -222.47 26.9444 257.393 50.0666 229.744 63.4405 PRESSAVG: 4500000 42.5015 -13.5492 -16.1629 -13.5493 -2.46888 81.6174 -16.1628 81.6174 19.3009 GPRESSAVG: 4500000 42.3978 -11.6043 -15.7269 -13.792 -2.07026 79.7653 -14.7312 82.7099 18.7843 TIMING: 4500000 CPU: 14300.3, 0.00316692/step Wall: 14300.3, 0.00316692/step, 0.439851 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4500000 3999.3606 20491.2423 14437.5441 256.6471 -203073.3158 2454.1581 0.0000 0.0000 51935.4760 -109498.8876 298.4739 -161434.3636 -109129.1635 299.5421 -100.3774 -77.5938 763277.9344 19.7778 19.7039 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4500000 WRITING COORDINATES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4500200 38.9877 -208.769 -148.417 -208.769 -214.95 -182.194 -148.417 -182.194 -344.122 GPRESSURE: 4500200 32.1618 -277.129 -145.407 -120.963 -200.815 -86.4839 -184.057 -72.4973 -272.953 PRESSAVG: 4500200 49.7239 -13.6002 49.3111 -13.6002 -60.1762 11.1882 49.3111 11.1881 3.36671 GPRESSAVG: 4500200 49.4914 -15.0134 48.6324 -12.623 -60.3536 12.3058 49.5138 10.5505 3.5949 TIMING: 4500200 CPU: 14301, 0.00330289/step Wall: 14301, 0.00330289/step, 0.458551 hours remaining, 238.414062 MB of memory in use. ENERGY: 4500200 4036.7344 20484.9162 14359.4567 227.8304 -203036.8818 2380.7789 0.0000 0.0000 52069.4735 -109477.6916 299.2440 -161547.1651 -109114.9285 299.5279 -173.3615 -147.2019 761316.5091 -2.3619 -2.4224 LDB: ============= START OF LOAD BALANCING ============== 14313.4 LDB: ============== END OF LOAD BALANCING =============== 14313.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14313.4 LDB: ============= START OF LOAD BALANCING ============== 14313.7 LDB: Largest compute 7027 load 0.036810 is 18.8% of average load 0.196005 LDB: Average compute 0.004407 is 2.2% of average load 0.196005 LDB: TIME 14313.7 LOAD: AVG 0.196005 MAX 0.219297 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.012 MB LDB: TIME 14313.7 LOAD: AVG 0.196005 MAX 0.219297 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.18 MB LDB: TIME 14313.7 LOAD: AVG 0.196005 MAX 0.219297 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14313.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14313.7 PRESSURE: 4500400 -152.743 -299.992 153.672 -299.992 -353.869 -225.235 153.671 -225.236 -23.2596 GPRESSURE: 4500400 -53.5989 -303.856 164.234 -195.217 -347.049 -308.383 53.76 -213.809 -74.7687 PRESSAVG: 4500400 34.6435 -56.8643 -32.4481 -56.8643 3.10578 35.3882 -32.4481 35.3882 14.1747 GPRESSAVG: 4500400 34.8998 -57.7202 -32.6531 -56.0713 3.1437 35.4645 -34.678 35.3269 13.7824 TIMING: 4500400 CPU: 14301.6, 0.00324938/step Wall: 14301.6, 0.00324938/step, 0.450942 hours remaining, 239.183594 MB of memory in use. ENERGY: 4500400 3983.8113 20689.8660 14373.0310 231.7774 -203376.3089 2598.1793 0.0000 0.0000 52184.6461 -109314.9979 299.9059 -161499.6440 -108953.2518 299.8163 -176.6238 -158.4722 763362.2607 17.3080 17.2753 PRESSURE: 4500600 -50.7465 -236.085 10.6541 -236.085 -81.6273 90.2306 10.6539 90.2315 440.763 GPRESSURE: 4500600 14.6395 -223.624 -34.8933 -309.407 -37.2078 108.117 2.18964 40.0299 408.875 PRESSAVG: 4500600 -0.584441 -70.1993 8.98149 -70.1993 -53.4291 9.64785 8.98151 9.64791 -4.52026 GPRESSAVG: 4500600 -1.40846 -68.3711 9.31544 -72.6919 -52.6166 11.9107 10.8284 8.54193 -4.58481 TIMING: 4500600 CPU: 14302.3, 0.00316289/step Wall: 14302.3, 0.00316289/step, 0.438763 hours remaining, 239.183594 MB of memory in use. ENERGY: 4500600 4010.6312 20572.4038 14288.1128 240.0099 -203195.7140 2651.9473 0.0000 0.0000 51929.4626 -109503.1464 298.4393 -161432.6090 -109148.9999 299.2982 102.7963 128.7690 762312.7231 -19.5113 -19.5366 PRESSURE: 4500800 -73.5848 -70.0561 59.5369 -70.0564 -49.3037 117.322 59.5365 117.321 228.479 GPRESSURE: 4500800 -16.7265 -5.34613 91.5947 -20.8425 -22.9555 142.949 -5.16789 93.3721 230.061 PRESSAVG: 4500800 -55.4568 -65.4894 15.9249 -65.4894 41.2404 -25.8971 15.9249 -25.8972 14.8752 GPRESSAVG: 4500800 -55.4191 -66.0896 15.5617 -64.7531 40.6829 -27.9882 14.8511 -24.872 15.6822 TIMING: 4500800 CPU: 14302.9, 0.00317805/step Wall: 14302.9, 0.00317805/step, 0.44069 hours remaining, 239.183594 MB of memory in use. ENERGY: 4500800 3981.1051 20490.1416 14406.5652 230.5393 -203264.8179 2708.3817 0.0000 0.0000 52053.5115 -109394.5734 299.1522 -161448.0849 -109042.7107 298.8783 35.1968 63.4598 761794.2616 0.2196 0.3153 PRESSURE: 4501000 -113.878 108.24 -43.5092 108.239 -138.73 -100.878 -43.5094 -100.878 -35.9296 GPRESSURE: 4501000 -194.908 35.8938 -79.5886 45.0595 -27.1774 -129.617 -119.457 -33.7883 37.4655 PRESSAVG: 4501000 28.9507 -3.12383 16.5492 -3.12383 -13.4595 33.7359 16.5492 33.736 -24.2491 GPRESSAVG: 4501000 29.1833 -3.85991 16.1719 -2.62896 -12.5161 35.3814 16.9623 35.2986 -24.4324 TIMING: 4501000 CPU: 14303.5, 0.00317533/step Wall: 14303.5, 0.00317533/step, 0.440136 hours remaining, 239.183594 MB of memory in use. ENERGY: 4501000 4008.1287 20607.3758 14402.1893 219.2168 -203010.8422 2300.9841 0.0000 0.0000 52002.7372 -109470.2103 298.8604 -161472.9475 -109135.6492 299.1039 -96.1791 -61.5400 761126.1227 -2.9193 -2.5884 PRESSURE: 4501200 26.2947 -20.4182 283.098 -20.4187 332.729 9.94973 283.098 9.94933 324.083 GPRESSURE: 4501200 142.396 3.20653 274.631 -140.979 283.351 -6.19365 363.294 -17.0923 354.365 PRESSAVG: 4501200 45.8255 16.5711 22.3675 16.5711 -19.4618 26.3984 22.3675 26.3984 17.407 GPRESSAVG: 4501200 46.4362 18.866 21.2849 16.3361 -19.318 25.306 23.8968 25.5032 17.0927 TIMING: 4501200 CPU: 14304.2, 0.00317413/step Wall: 14304.2, 0.00317413/step, 0.439794 hours remaining, 239.183594 MB of memory in use. ENERGY: 4501200 4018.3141 20449.7319 14394.9628 230.1050 -203177.7597 2785.5062 0.0000 0.0000 51820.3895 -109478.7501 297.8125 -161299.1397 -109121.3484 298.9074 227.7020 260.0372 761249.4429 14.5902 14.7370 PRESSURE: 4501400 27.0052 264.432 13.092 264.433 210.831 32.1182 13.0916 32.1163 331.866 GPRESSURE: 4501400 134.709 303.824 -119.637 53.1017 227.032 21.9349 -20.5188 112.316 290.472 PRESSAVG: 4501400 53.0295 -0.0557431 20.3224 -0.0556897 -73.6134 34.6589 20.3223 34.6589 -16.6941 GPRESSAVG: 4501400 53.0566 -1.17465 21.81 0.727392 -73.7251 34.6043 17.8132 34.5599 -16.5863 TIMING: 4501400 CPU: 14304.8, 0.0031793/step Wall: 14304.8, 0.00317931/step, 0.440334 hours remaining, 239.183594 MB of memory in use. ENERGY: 4501400 4092.6443 20631.7155 14351.2840 230.5749 -203053.4643 2619.3338 0.0000 0.0000 52030.1840 -109097.7278 299.0182 -161127.9118 -108740.4687 299.6546 189.9007 217.4041 762656.8067 -12.4260 -12.4182 PRESSURE: 4501600 -519.196 -35.6342 152.793 -35.6353 21.4844 -171.683 152.794 -171.684 -43.6745 GPRESSURE: 4501600 -476.763 -6.19923 75.4846 -37.026 102.59 -179.095 234.265 -171.428 -104.161 PRESSAVG: 4501600 -4.93708 -8.85061 -11.7705 -8.85057 -6.68788 -11.1907 -11.7704 -11.1907 24.8151 GPRESSAVG: 4501600 -5.19436 -9.90047 -11.7544 -7.98896 -5.96786 -11.7127 -9.57152 -11.0038 24.3967 TIMING: 4501600 CPU: 14305.4, 0.00318147/step Wall: 14305.4, 0.00318147/step, 0.440457 hours remaining, 239.183594 MB of memory in use. ENERGY: 4501600 4093.7704 20454.0368 14437.3291 245.0338 -203125.4599 2532.0122 0.0000 0.0000 52123.6046 -109239.6730 299.5551 -161363.2776 -108876.2689 299.5205 -180.4619 -159.4445 762446.3664 4.3967 4.4115 PRESSURE: 4501800 -2.72528 12.2722 100.03 12.2727 -298.685 -46.9206 100.032 -46.9223 65.9645 GPRESSURE: 4501800 6.62308 -52.0915 50.5298 1.70018 -306.457 -81.8941 93.0546 -46.6537 127.759 PRESSAVG: 4501800 33.8862 -9.10998 -22.2328 -9.10994 -12.2446 11.3462 -22.2327 11.3462 -6.00038 GPRESSAVG: 4501800 34.3918 -10.7595 -22.9017 -8.94583 -12.7078 12.317 -23.8867 12.0003 -5.68872 TIMING: 4501800 CPU: 14306.1, 0.00317247/step Wall: 14306.1, 0.00317247/step, 0.439035 hours remaining, 239.183594 MB of memory in use. ENERGY: 4501800 4026.2142 20690.8476 14473.7645 233.4683 -203529.7575 2757.7879 0.0000 0.0000 51853.8505 -109493.8246 298.0048 -161347.6751 -109141.4501 299.1300 -78.4819 -57.3583 763133.0558 5.2137 5.3318 PRESSURE: 4502000 229.572 -176.701 -192.878 -176.701 -143.039 210.769 -192.878 210.77 -148.318 GPRESSURE: 4502000 188.804 -105.757 -229.998 -138.13 17.2088 110.072 -211.013 224.673 -163.994 PRESSAVG: 4502000 25.5883 -42.1469 34.7126 -42.1469 -0.549614 4.87912 34.7126 4.87916 14.3112 GPRESSAVG: 4502000 24.4319 -40.7307 35.6213 -42.8788 -0.480785 4.48094 35.6259 3.12843 15.4129 TIMING: 4502000 CPU: 14306.7, 0.00316811/step Wall: 14306.7, 0.00316811/step, 0.438255 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4502000 4014.4458 20521.9169 14441.5075 240.0295 -203558.6049 2765.2794 0.0000 0.0000 52109.2906 -109466.1352 299.4728 -161575.4258 -109106.7524 298.7042 -20.5950 14.0064 761084.9831 13.1166 13.1214 PRESSURE: 4502200 106.798 -133.159 -42.257 -133.159 -110.783 -106.551 -42.2574 -106.551 -274.526 GPRESSURE: 4502200 103.196 -116.222 -145.086 -84.1734 -140.656 -238.293 121.437 -120.58 -153.507 PRESSAVG: 4502200 63.6055 -11.5154 0.787024 -11.5154 -59.2347 -5.13032 0.787016 -5.13044 -9.00745 GPRESSAVG: 4502200 63.8853 -12.4071 1.15755 -12.0283 -60.2507 -7.10878 -0.667983 -1.48727 -8.3129 TIMING: 4502200 CPU: 14307.3, 0.00317146/step Wall: 14307.3, 0.00317146/step, 0.438542 hours remaining, 239.183594 MB of memory in use. ENERGY: 4502200 4021.9610 20579.9794 14461.8316 245.6530 -203485.6944 2674.7449 0.0000 0.0000 52125.5639 -109375.9606 299.5663 -161501.5245 -109020.5943 299.5672 -92.8369 -63.6558 761882.7066 -1.5456 -1.5594 PRESSURE: 4502400 113.56 -138.978 -60.0428 -138.978 -360.305 27.7271 -60.0427 27.7267 -486.295 GPRESSURE: 4502400 47.926 -95.0671 -52.758 -23.3015 -273.368 83.0331 -86.3488 105.177 -420.768 PRESSAVG: 4502400 44.1024 -28.5692 -4.31451 -28.5691 -36.378 -21.2593 -4.31453 -21.2594 4.04042 GPRESSAVG: 4502400 43.736 -27.0933 -4.89225 -28.8113 -34.4243 -19.4471 -3.70282 -22.6736 2.87168 TIMING: 4502400 CPU: 14308, 0.00316483/step Wall: 14308, 0.00316483/step, 0.43745 hours remaining, 239.183594 MB of memory in use. ENERGY: 4502400 4029.0375 20586.8510 14437.0526 238.1918 -203513.1879 2728.6549 0.0000 0.0000 52315.0092 -109178.3909 300.6551 -161493.4001 -108811.0014 300.1739 -244.3466 -215.4034 762473.6597 3.9216 4.0611 PRESSURE: 4502600 80.9444 -60.4319 -203.432 -60.432 40.5146 -55.4742 -203.432 -55.4732 421.706 GPRESSURE: 4502600 83.818 56.8064 -104.739 6.29707 55.0482 -30.1425 -180.685 120.984 480.515 PRESSAVG: 4502600 28.7398 -24.3224 29.9175 -24.3223 -41.6935 39.5823 29.9175 39.5823 0.602214 GPRESSAVG: 4502600 29.4096 -25.4237 27.4167 -23.4062 -43.6254 37.3899 32.3942 39.8343 0.949826 TIMING: 4502600 CPU: 14308.6, 0.00317683/step Wall: 14308.6, 0.00317682/step, 0.438931 hours remaining, 239.183594 MB of memory in use. ENERGY: 4502600 4054.4668 20754.9981 14413.6613 242.5310 -203492.4853 2646.9842 0.0000 0.0000 52178.9829 -109200.8611 299.8733 -161379.8440 -108840.0781 300.6080 181.0549 206.4604 760920.6755 -4.1172 -4.4220 PRESSURE: 4502800 72.3383 -126.065 13.0485 -126.064 -78.1292 -118.641 13.0496 -118.642 443.575 GPRESSURE: 4502800 133.423 -101.592 49.8136 -80.6176 -14.1987 -194.961 -25.0094 -63.2625 400.735 PRESSAVG: 4502800 9.88705 -43.0237 -6.55342 -43.0236 24.6603 32.0099 -6.55339 32.0099 5.63733 GPRESSAVG: 4502800 9.08496 -43.255 -3.45286 -44.1599 25.5962 32.7828 -8.49667 33.6299 5.00802 TIMING: 4502800 CPU: 14309.2, 0.0031585/step Wall: 14309.2, 0.0031585/step, 0.436224 hours remaining, 239.183594 MB of memory in use. ENERGY: 4502800 4042.0090 20559.1009 14489.0006 261.0061 -203208.1564 2518.0421 0.0000 0.0000 52194.6707 -109144.3269 299.9635 -161338.9977 -108778.7131 300.5091 145.9280 173.3196 762486.9912 13.3949 13.2297 PRESSURE: 4503000 -349.7 -82.2252 208.841 -82.2243 76.093 -148 208.841 -148.001 387.265 GPRESSURE: 4503000 -297.809 14.9059 150.626 -163.755 80.8138 -207.556 121.842 -145.607 405.238 PRESSAVG: 4503000 -69.6392 -40.0398 33.7714 -40.0398 -30.6534 -25.3307 33.7714 -25.3307 -8.8106 GPRESSAVG: 4503000 -69.6768 -39.174 31.2545 -40.8927 -30.8902 -23.7672 33.9932 -29.0613 -7.7252 TIMING: 4503000 CPU: 14309.9, 0.00315608/step Wall: 14309.9, 0.00315608/step, 0.435714 hours remaining, 239.183594 MB of memory in use. ENERGY: 4503000 3958.0794 20410.8515 14498.0803 246.8048 -203424.6432 2970.4581 0.0000 0.0000 52062.8851 -109277.4841 299.2061 -161340.3692 -108911.2765 299.8616 37.8862 62.7477 764703.7628 -36.3677 -36.0974 PRESSURE: 4503200 197.502 124.016 -153.086 124.016 29.5452 270.182 -153.085 270.181 261.846 GPRESSURE: 4503200 281.546 70.194 -154.527 101.283 35.5618 313.807 -153.31 237.11 266.143 PRESSAVG: 4503200 29.6472 12.4113 2.10084 12.4114 -25.1903 -8.71284 2.10085 -8.71274 3.09958 GPRESSAVG: 4503200 29.0658 12.3725 2.9991 14.2475 -24.6075 -8.94147 3.6375 -9.00237 3.01233 TIMING: 4503200 CPU: 14310.5, 0.00314554/step Wall: 14310.5, 0.00314554/step, 0.434084 hours remaining, 239.183594 MB of memory in use. ENERGY: 4503200 4052.5301 20640.5685 14407.9102 245.0570 -203491.9494 2920.4998 0.0000 0.0000 52009.7120 -109215.6717 298.9005 -161225.3837 -108856.8758 299.6160 162.9646 194.4170 762868.4916 2.5188 2.4902 PRESSURE: 4503400 -2.44315 -50.4498 148.234 -50.4487 398.078 -249.79 148.234 -249.789 120.978 GPRESSURE: 4503400 113.034 -112.557 101.784 -46.9258 330.06 -224.196 27.9517 -366.455 146.846 PRESSAVG: 4503400 51.1666 -41.0259 9.28941 -41.0259 -29.8296 -15.3549 9.28947 -15.3549 -6.41725 GPRESSAVG: 4503400 50.6442 -40.5947 8.95119 -41.4453 -29.9813 -14.0436 7.541 -13.8535 -5.90551 TIMING: 4503400 CPU: 14311.1, 0.00316961/step Wall: 14311.1, 0.00316961/step, 0.43723 hours remaining, 239.183594 MB of memory in use. ENERGY: 4503400 3936.8100 20715.5542 14433.8474 253.1900 -203090.2490 2401.9940 0.0000 0.0000 52046.0300 -109302.8234 299.1092 -161348.8534 -108938.0960 299.7511 172.2041 196.6470 763101.9056 4.9732 4.9191 PRESSURE: 4503600 192.153 -127.808 -190.084 -127.809 127.229 68.6284 -190.084 68.6282 -10.9592 GPRESSURE: 4503600 213.029 -104.421 -163.221 -89.2942 177.525 104.904 -270.452 107.827 -0.767503 PRESSAVG: 4503600 100.566 -34.2181 24.8122 -34.2181 -65.3581 -27.9478 24.8123 -27.9479 22.1083 GPRESSAVG: 4503600 101.056 -34.0776 25.1566 -33.8852 -65.3054 -29.0673 24.6184 -27.5338 21.3076 TIMING: 4503600 CPU: 14311.8, 0.00317551/step Wall: 14311.8, 0.00317551/step, 0.437867 hours remaining, 239.183594 MB of memory in use. ENERGY: 4503600 3986.3939 20634.3204 14407.1249 252.3069 -203150.2174 2458.7857 0.0000 0.0000 52114.2078 -109297.0777 299.5011 -161411.2856 -108941.1534 300.1316 102.8076 129.9287 760138.1309 19.1055 19.0194 PRESSURE: 4503800 -137.075 -232.503 -319.324 -232.503 -214.654 -21.4951 -319.325 -21.4948 -331.862 GPRESSURE: 4503800 -101.033 -176.124 -305.155 -179.499 -239.951 24.253 -167.11 -96.2016 -252.157 PRESSAVG: 4503800 27.6414 -38.739 -20.6621 -38.739 -9.20115 29.1552 -20.6621 29.1552 -18.5021 GPRESSAVG: 4503800 27.2238 -40.2285 -20.808 -38.1882 -9.53194 30.1249 -19.9213 28.4951 -17.6552 TIMING: 4503800 CPU: 14312.4, 0.00317964/step Wall: 14312.4, 0.00317964/step, 0.438261 hours remaining, 239.183594 MB of memory in use. ENERGY: 4503800 4032.7387 20594.9974 14512.6053 254.0127 -203109.7069 2463.6107 0.0000 0.0000 51852.3321 -109399.4099 297.9961 -161251.7420 -109036.7818 299.5238 -227.8636 -197.7138 761920.1173 -0.0206 0.0122 PRESSURE: 4504000 20.2927 -362.302 27.3749 -362.303 18.4325 86.5415 27.3749 86.5413 282.418 GPRESSURE: 4504000 113.369 -279.008 101.272 -268.158 14.8079 112.512 -1.4176 -10.4331 285.944 PRESSAVG: 4504000 44.3683 -69.7598 21.9777 -69.7599 -42.8422 0.651575 21.9777 0.65153 3.31612 GPRESSAVG: 4504000 45.9287 -68.3746 21.4502 -71.0212 -42.3205 -0.797598 24.0054 0.0146544 1.27494 TIMING: 4504000 CPU: 14313.1, 0.00318657/step Wall: 14313.1, 0.00318657/step, 0.439038 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4504000 4024.6833 20669.4589 14433.5884 262.1968 -203638.4153 2653.7826 0.0000 0.0000 52033.4656 -109561.2397 299.0370 -161594.7053 -109200.7419 299.3191 107.0477 138.0403 758610.5826 1.6141 1.6277 PRESSURE: 4504200 19.2555 -60.6472 237.616 -60.6478 -94.1146 -89.5812 237.616 -89.581 -175.133 GPRESSURE: 4504200 120.462 -32.3581 247.621 -64.5864 -136.04 -19.1349 208.964 -91.7802 -156.869 PRESSAVG: 4504200 57.3492 -16.4808 -6.2041 -16.4808 -55.7424 -26.9879 -6.20406 -26.9879 14.2881 GPRESSAVG: 4504200 57.08 -17.1028 -4.83738 -17.3113 -56.4183 -26.0421 -7.90619 -27.0848 15.1116 TIMING: 4504200 CPU: 14313.7, 0.00320676/step Wall: 14313.7, 0.00320676/step, 0.441643 hours remaining, 239.183594 MB of memory in use. ENERGY: 4504200 3952.2957 20445.4858 14508.4135 254.8164 -203761.0748 2763.2743 0.0000 0.0000 52074.4844 -109762.3047 299.2728 -161836.7890 -109401.0151 298.9829 -83.3309 -57.4823 760621.5406 5.2983 5.2578 LDB: ============= START OF LOAD BALANCING ============== 14326.1 LDB: ============== END OF LOAD BALANCING =============== 14326.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14326.1 LDB: ============= START OF LOAD BALANCING ============== 14326.4 LDB: Largest compute 7066 load 0.036156 is 18.5% of average load 0.195942 LDB: Average compute 0.004392 is 2.2% of average load 0.195942 LDB: TIME 14326.4 LOAD: AVG 0.195942 MAX 0.216676 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.309 MB LDB: TIME 14326.4 LOAD: AVG 0.195942 MAX 0.216676 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.309 MB LDB: TIME 14326.4 LOAD: AVG 0.195942 MAX 0.216676 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.309 MB LDB: ============== END OF LOAD BALANCING =============== 14326.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14326.4 PRESSURE: 4504400 147.846 132.137 -136.412 132.136 531.023 22.5467 -136.412 22.5469 287.576 GPRESSURE: 4504400 144.95 224.999 -92.4722 156.397 575.747 -103.352 -174.939 -95.8634 330.473 PRESSAVG: 4504400 30.0815 -13.8502 -57.6018 -13.8502 -15.2504 -38.5532 -57.6018 -38.5533 -14.5874 GPRESSAVG: 4504400 29.1729 -13.8774 -58.6749 -11.5932 -15.4301 -37.4094 -56.6542 -38.7221 -13.3793 TIMING: 4504400 CPU: 14314.4, 0.00328537/step Wall: 14314.4, 0.00328537/step, 0.452286 hours remaining, 238.730469 MB of memory in use. ENERGY: 4504400 3963.6289 20502.5815 14450.5266 270.1653 -203435.9991 2584.9170 0.0000 0.0000 51752.5176 -109911.6622 297.4224 -161664.1798 -109557.6438 298.8842 322.1484 350.3899 761785.3887 0.0812 0.1212 PRESSURE: 4504600 40.9915 -30.3763 -249.478 -30.3764 -175.8 -224.188 -249.478 -224.188 467.811 GPRESSURE: 4504600 107.821 -60.1984 -211.352 -96.9996 -155.348 -243.001 -130.703 -137.769 464.432 PRESSAVG: 4504600 -16.159 15.3839 14.4541 15.3838 21.095 -9.97471 14.4542 -9.97476 16.1491 GPRESSAVG: 4504600 -15.7842 15.2116 15.3255 13.2097 23.3099 -11.7798 16.1749 -7.94813 13.8473 TIMING: 4504600 CPU: 14315, 0.00319184/step Wall: 14315, 0.00319184/step, 0.439233 hours remaining, 238.730469 MB of memory in use. ENERGY: 4504600 3938.8907 20582.4423 14402.7968 250.1596 -203924.2470 2927.5434 0.0000 0.0000 52178.1998 -109644.2144 299.8688 -161822.4142 -109285.7151 299.0255 111.0008 138.9684 759993.2382 7.0283 7.1243 PRESSURE: 4504800 -112.82 9.2988 -275.217 9.29906 40.7761 53.606 -275.217 53.6063 26.6923 GPRESSURE: 4504800 -57.7609 -98.5573 -211.886 6.53285 25.6908 53.7132 -126.199 58.7072 67.3998 PRESSAVG: 4504800 12.4863 -26.291 6.03208 -26.291 -62.8756 -4.8504 6.032 -4.85042 -11.0938 GPRESSAVG: 4504800 12.1972 -27.1456 5.45102 -25.7189 -63.3796 -1.65935 5.10509 -4.62434 -9.98526 TIMING: 4504800 CPU: 14315.6, 0.00320919/step Wall: 14315.6, 0.00320919/step, 0.441442 hours remaining, 238.730469 MB of memory in use. ENERGY: 4504800 3968.5479 20524.8712 14400.2505 234.5342 -203665.9691 2834.6980 0.0000 0.0000 51852.9215 -109850.1457 297.9995 -161703.0672 -109491.7489 298.8946 -15.1171 11.7766 760727.5936 -20.4944 -20.3892 PRESSURE: 4505000 215.676 -50.4233 199.041 -50.423 101.499 40.4147 199.041 40.4146 324.952 GPRESSURE: 4505000 147.265 50.0269 317.183 -95.1755 142.417 -28.4869 108.969 -13.5705 429.859 PRESSAVG: 4505000 13.2993 -10.1787 12.802 -10.1788 8.51739 13.2334 12.8021 13.2334 10.8124 GPRESSAVG: 4505000 15.1061 -9.22297 13.9362 -8.70178 7.66823 10.779 11.4008 12.0127 9.50403 TIMING: 4505000 CPU: 14316.3, 0.00326772/step Wall: 14316.3, 0.00326772/step, 0.449312 hours remaining, 238.730469 MB of memory in use. ENERGY: 4505000 3927.8569 20557.8958 14410.9500 261.4655 -203564.8088 2829.4168 0.0000 0.0000 52062.5027 -109514.7211 299.2039 -161577.2238 -109157.7167 298.9981 214.0424 239.8472 761133.4361 10.8764 10.7594 PRESSURE: 4505200 281.376 -90.8212 -76.5587 -90.8205 -18.2311 63.121 -76.559 63.1199 236.458 GPRESSURE: 4505200 360.858 22.5515 21.1201 -35.6792 42.6909 -16.39 3.62517 161.797 173.037 PRESSAVG: 4505200 -2.16923 21.6292 32.9174 21.6292 7.32436 44.3704 32.9174 44.3704 5.53492 GPRESSAVG: 4505200 -3.43999 21.7498 31.7117 20.9965 7.41408 45.1649 33.0487 43.8763 6.27323 TIMING: 4505200 CPU: 14316.9, 0.00319027/step Wall: 14316.9, 0.00319027/step, 0.438485 hours remaining, 238.730469 MB of memory in use. ENERGY: 4505200 4045.7450 20580.5759 14442.4985 263.5297 -203656.5056 2846.5069 0.0000 0.0000 51861.5529 -109616.0967 298.0491 -161477.6496 -109260.3507 299.5683 166.5342 192.1952 761243.0323 3.5634 3.4158 PRESSURE: 4505400 -121.492 183.475 -157.342 183.476 236.299 -170.207 -157.342 -170.207 25.1512 GPRESSURE: 4505400 -121.707 38.1298 -166.565 142.318 338.327 -184.998 -105.472 -163.769 0.0555804 PRESSAVG: 4505400 34.3032 -53.3768 -33.531 -53.3768 35.166 48.8837 -33.531 48.8837 -8.86256 GPRESSAVG: 4505400 34.492 -53.7207 -32.8393 -54.0015 34.4397 47.8323 -32.5977 51.6601 -8.12595 TIMING: 4505400 CPU: 14317.6, 0.00318018/step Wall: 14317.6, 0.00318018/step, 0.436922 hours remaining, 238.730469 MB of memory in use. ENERGY: 4505400 3937.2475 20524.2662 14473.9117 229.3822 -203167.2211 2338.1800 0.0000 0.0000 52180.4340 -109483.7994 299.8817 -161664.2334 -109119.6253 299.0937 46.6529 72.2253 759794.5520 20.2022 20.2686 PRESSURE: 4505600 188.992 65.4418 -243.506 65.4416 -195.645 369.595 -243.506 369.595 -39.9801 GPRESSURE: 4505600 135.379 92.8553 -274.524 136.518 -63.53 362.553 -232.552 226.935 -39.7635 PRESSAVG: 4505600 -27.8206 -23.5354 -68.6691 -23.5355 -12.6751 78.0101 -68.6692 78.0102 21.9002 GPRESSAVG: 4505600 -28.7306 -22.2173 -68.9357 -22.8645 -12.5864 77.4452 -71.2198 75.4655 22.6208 TIMING: 4505600 CPU: 14318.2, 0.00331165/step Wall: 14318.2, 0.00331165/step, 0.4548 hours remaining, 238.875000 MB of memory in use. ENERGY: 4505600 3962.0882 20729.0787 14403.7964 258.0461 -203250.8966 2346.4453 0.0000 0.0000 52130.4139 -109421.0280 299.5942 -161551.4419 -109061.8964 299.4274 -15.5442 10.6953 762472.1749 -6.1985 -6.2321 PRESSURE: 4505800 -106.267 -8.84654 96.2184 -8.84668 -73.8582 -242.431 96.218 -242.429 168.381 GPRESSURE: 4505800 -6.84685 111.279 75.8242 50.8494 -153.112 -296.474 85.3298 -123.484 214.565 PRESSAVG: 4505800 -42.6409 -4.08739 -21.1365 -4.08733 42.2345 35.4597 -21.1366 35.4598 -7.62343 GPRESSAVG: 4505800 -42.7071 -5.13912 -22.1856 -4.80032 42.2004 36.3705 -18.8304 35.3488 -7.55677 TIMING: 4505800 CPU: 14318.9, 0.00322108/step Wall: 14318.9, 0.00322108/step, 0.442183 hours remaining, 238.875000 MB of memory in use. ENERGY: 4505800 4047.2510 20512.8228 14447.3985 254.1817 -203432.0829 2701.9175 0.0000 0.0000 51964.4500 -109504.0614 298.6404 -161468.5114 -109148.0411 298.8264 -3.9149 18.2021 761304.2221 -2.6766 -2.6878 PRESSURE: 4506000 125.458 4.10571 28.2469 4.10538 -128.936 -79.5309 28.2471 -79.5322 -445.934 GPRESSURE: 4506000 85.6577 39.0649 -3.11673 -57.85 -92.0677 -40.5404 -97.1528 -100.21 -356.344 PRESSAVG: 4506000 8.7688 -10.386 47.4745 -10.386 -31.056 -72.1927 47.4745 -72.1927 -10.354 GPRESSAVG: 4506000 8.71079 -10.431 50.4615 -10.0654 -31.5354 -72.6844 45.3012 -70.8985 -9.53006 TIMING: 4506000 CPU: 14319.5, 0.00318799/step Wall: 14319.5, 0.00318799/step, 0.437463 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4506000 4012.0205 20474.4920 14446.2475 246.9420 -202545.8151 2126.3168 0.0000 0.0000 51862.5658 -109377.2305 298.0549 -161239.7963 -109019.2379 299.2324 -149.8040 -120.9180 762442.4801 -10.8804 -10.7849 PRESSURE: 4506200 -116.228 -102.404 -101.862 -102.404 -267.753 158.945 -101.86 158.945 -400.948 GPRESSURE: 4506200 -78.1014 12.9323 -98.4071 -214.868 -165.48 143.489 -125.438 166.121 -434.131 PRESSAVG: 4506200 -41.0958 -11.3652 39.6974 -11.3652 46.5456 -65.7483 39.6974 -65.7483 5.59023 GPRESSAVG: 4506200 -39.9831 -10.9157 38.3942 -10.9351 46.9442 -66.3014 41.7717 -66.1807 4.35381 TIMING: 4506200 CPU: 14320.1, 0.00318287/step Wall: 14320.1, 0.00318287/step, 0.436584 hours remaining, 238.875000 MB of memory in use. ENERGY: 4506200 3977.7105 20449.1747 14374.2743 259.1025 -202532.1664 2003.7285 0.0000 0.0000 51805.0437 -109663.1321 297.7243 -161468.1758 -109300.6771 299.0385 -261.6428 -225.9040 762305.6697 3.6800 3.7716 PRESSURE: 4506400 278.494 36.5794 121.837 36.5797 -263.001 148.544 121.837 148.544 114.248 GPRESSURE: 4506400 329.228 49.4302 123.833 62.946 -203.499 178.996 213.55 171.18 85.2487 PRESSAVG: 4506400 32.1476 -22.8066 -5.13428 -22.8066 -44.6154 -13.5055 -5.13424 -13.5054 32.5544 GPRESSAVG: 4506400 32.1606 -22.0208 -4.71477 -22.9195 -44.8759 -13.3961 -4.542 -14.4843 32.654 TIMING: 4506400 CPU: 14320.8, 0.00316865/step Wall: 14320.8, 0.00316865/step, 0.434457 hours remaining, 238.875000 MB of memory in use. ENERGY: 4506400 3917.4734 20394.0543 14417.6989 244.9797 -203254.4424 2532.1972 0.0000 0.0000 52069.4713 -109678.5675 299.2440 -161748.0389 -109312.7502 298.7447 43.2471 70.3257 761441.9222 6.6955 6.6462 PRESSURE: 4506600 190.242 -118.325 -244.298 -118.327 85.6358 -126.797 -244.298 -126.797 337.499 GPRESSURE: 4506600 123.825 -45.5224 -276.956 -67.2271 148.775 -169.038 -242.288 -131.921 422.052 PRESSAVG: 4506600 38.2619 -17.5026 -18.5973 -17.5027 -46.7118 -17.222 -18.5973 -17.222 0.382862 GPRESSAVG: 4506600 36.8703 -16.8268 -20.6424 -19.4684 -47.1504 -15.4035 -18.5024 -16.8917 2.51359 TIMING: 4506600 CPU: 14321.4, 0.00316218/step Wall: 14321.4, 0.00316218/step, 0.433394 hours remaining, 238.875000 MB of memory in use. ENERGY: 4506600 3992.3405 20523.2525 14449.6482 254.4430 -203398.1359 2628.6442 0.0000 0.0000 52058.0125 -109491.7950 299.1781 -161549.8075 -109135.8904 299.0079 204.4590 231.5505 761953.2060 -2.6890 -2.5888 PRESSURE: 4506800 -65.2285 -42.3416 -32.3786 -42.3417 249.912 -158.67 -32.3788 -158.671 51.2594 GPRESSURE: 4506800 30.7835 -88.2171 -18.3879 -40.6674 241.95 -182.81 -52.4295 -67.0857 49.5845 PRESSAVG: 4506800 7.5924 -69.5192 -29.254 -69.5193 -31.6216 11.4171 -29.254 11.4171 32.3615 GPRESSAVG: 4506800 8.60034 -71.6798 -27.636 -67.5275 -31.0474 9.86538 -31.8395 10.7463 31.26 TIMING: 4506800 CPU: 14322, 0.00317956/step Wall: 14322, 0.00317956/step, 0.435599 hours remaining, 238.875000 MB of memory in use. ENERGY: 4506800 3959.7462 20418.7462 14399.8421 251.4490 -203117.8923 2648.6823 0.0000 0.0000 51927.4038 -109512.0227 298.4275 -161439.4266 -109145.1525 298.6785 78.6476 107.4393 762848.0174 2.7775 2.9376 PRESSURE: 4507000 -40.5153 -16.602 36.8753 -16.6019 -70.3315 136.795 36.8756 136.797 -544.953 GPRESSURE: 4507000 -124.316 -97.2079 5.54259 -2.70191 64.2178 160.221 20.398 204.37 -505.062 PRESSAVG: 4507000 36.9602 -74.2321 -57.031 -74.2321 -21.2348 0.795405 -57.031 0.795376 -3.83555 GPRESSAVG: 4507000 37.5038 -72.9617 -56.6011 -73.3848 -21.5127 0.993895 -57.7145 3.7057 -4.57139 TIMING: 4507000 CPU: 14322.7, 0.00318542/step Wall: 14322.7, 0.00318542/step, 0.436226 hours remaining, 238.875000 MB of memory in use. ENERGY: 4507000 3913.2182 20673.1656 14471.2931 243.2802 -202860.0536 2250.5239 0.0000 0.0000 51969.3974 -109339.1751 298.6688 -161308.5725 -108988.9548 299.1550 -218.6001 -188.3870 762011.9455 3.9633 3.8066 PRESSURE: 4507200 325.539 112.277 -68.047 112.277 43.7833 157.209 -68.0471 157.209 498.623 GPRESSURE: 4507200 367.079 95.7941 -45.7072 75.8772 96.1706 174.255 15.721 108.747 490.281 PRESSAVG: 4507200 18.6052 0.173573 -54.6979 0.173553 -12.7835 16.4019 -54.6979 16.402 -5.63154 GPRESSAVG: 4507200 18.1512 0.525149 -54.8674 -0.92773 -12.2297 16.5454 -53.8141 12.5049 -6.06367 TIMING: 4507200 CPU: 14323.3, 0.00318715/step Wall: 14323.3, 0.00318715/step, 0.436285 hours remaining, 238.875000 MB of memory in use. ENERGY: 4507200 3963.3828 20505.4395 14441.9096 235.6915 -203837.4840 3058.7166 0.0000 0.0000 52133.9855 -109498.3585 299.6147 -161632.3440 -109141.4201 298.9510 289.3152 317.8437 761514.9429 0.0634 -0.0474 PRESSURE: 4507400 18.2205 3.9014 -235.005 3.90108 -291.47 133.669 -235.005 133.669 -192.973 GPRESSURE: 4507400 54.2898 66.9458 -178.997 -50.9299 -249.848 106.12 -259.437 183.307 -181.483 PRESSAVG: 4507400 -40.2589 -32.2132 -73.0665 -32.2132 16.0556 17.0413 -73.0665 17.0413 -17.9027 GPRESSAVG: 4507400 -40.1462 -34.3014 -72.3322 -29.518 14.9222 16.799 -70.7385 19.5152 -16.9568 TIMING: 4507400 CPU: 14324, 0.00319355/step Wall: 14324, 0.00319355/step, 0.436983 hours remaining, 238.875000 MB of memory in use. ENERGY: 4507400 3991.8466 20436.5580 14411.2098 236.9942 -203238.7671 2527.8011 0.0000 0.0000 51960.4305 -109673.9269 298.6173 -161634.3574 -109302.1870 298.7918 -155.4075 -125.6803 763672.0732 -14.0353 -14.0603 PRESSURE: 4507600 158.3 -86.0042 323.974 -86.0038 117.559 -175.209 323.974 -175.209 218.211 GPRESSURE: 4507600 228.398 -72.9743 239.262 -92.4512 104.526 -210.269 296.569 -323.327 226.293 PRESSAVG: 4507600 10.649 -49.0922 -34.0077 -49.0923 -12.8245 10.9171 -34.0077 10.9171 -5.44531 GPRESSAVG: 4507600 11.0547 -47.6213 -35.7601 -50.146 -12.5263 11.6267 -36.7106 6.71089 -5.65999 TIMING: 4507600 CPU: 14324.6, 0.00318119/step Wall: 14324.6, 0.00318119/step, 0.435116 hours remaining, 238.875000 MB of memory in use. ENERGY: 4507600 4030.1562 20420.3415 14453.7431 262.6694 -203462.8143 2777.4971 0.0000 0.0000 51781.6288 -109736.7782 297.5897 -161518.4070 -109377.6834 298.6893 164.6899 186.4059 763118.3958 -2.5403 -2.3772 PRESSURE: 4507800 309.142 508.341 58.2899 508.34 -47.8953 -3.52244 58.2895 -3.52111 23.9129 GPRESSURE: 4507800 287.318 556.828 79.3141 460.956 -35.485 4.15306 104.546 -23.3766 108.027 PRESSAVG: 4507800 60.0162 -0.330065 12.7711 -0.330083 -56.815 -58.9984 12.771 -58.9984 1.43815 GPRESSAVG: 4507800 59.7704 0.231316 12.6882 -1.52633 -57.0098 -59.1283 13.1401 -54.2407 1.81843 TIMING: 4507800 CPU: 14325.2, 0.00315747/step Wall: 14325.2, 0.00315747/step, 0.431696 hours remaining, 238.875000 MB of memory in use. ENERGY: 4507800 3945.9026 20472.4124 14448.6075 232.0692 -203667.2498 2727.2976 0.0000 0.0000 51978.7791 -109862.1813 298.7228 -161840.9604 -109500.0514 298.7981 95.0532 119.9536 762834.4232 1.5464 1.5263 PRESSURE: 4508000 -433.388 42.3931 34.5265 42.3923 -299.695 53.4421 34.527 53.4415 -220.665 GPRESSURE: 4508000 -384.52 75.9515 -32.0554 98.6412 -297.375 -94.6526 86.582 -10.3099 -198.146 PRESSAVG: 4508000 18.2278 14.1761 -32.8214 14.176 -10.151 -41.212 -32.8214 -41.2121 -15.348 GPRESSAVG: 4508000 18.6073 13.4477 -34.4637 13.8998 -9.97949 -42.0526 -30.3366 -43.1262 -15.5014 TIMING: 4508000 CPU: 14325.9, 0.00318625/step Wall: 14325.9, 0.00318625/step, 0.435454 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4508000 4004.7592 20437.8921 14392.3927 234.5386 -203442.1131 2583.1791 0.0000 0.0000 52185.9405 -109603.4107 299.9133 -161789.3513 -109243.9763 298.8376 -317.9162 -293.3468 764091.3151 -2.4237 -2.2912 PRESSURE: 4508200 409.699 102.972 8.89683 102.972 -294.138 17.343 8.89669 17.3425 225.675 GPRESSURE: 4508200 359.499 40.7372 67.5791 148.737 -198.021 45.2057 43.0596 -88.099 249.246 PRESSAVG: 4508200 8.88152 -17.2295 -72.8977 -17.2294 -21.9672 -61.1945 -72.8977 -61.1944 -20.5794 GPRESSAVG: 4508200 7.80959 -16.2165 -70.7354 -16.1222 -20.9259 -59.7437 -74.3911 -62.9859 -20.6913 TIMING: 4508200 CPU: 14326.5, 0.00318259/step Wall: 14326.5, 0.00318259/step, 0.434777 hours remaining, 238.875000 MB of memory in use. ENERGY: 4508200 3995.0315 20390.4299 14416.2654 240.5214 -203374.6277 2737.4164 0.0000 0.0000 52029.4271 -109565.5361 299.0138 -161594.9632 -109202.3178 299.2334 113.7452 136.9081 762066.2308 -11.2217 -11.2692 LDB: ============= START OF LOAD BALANCING ============== 14338.9 LDB: ============== END OF LOAD BALANCING =============== 14338.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14338.9 LDB: ============= START OF LOAD BALANCING ============== 14339.2 LDB: Largest compute 7067 load 0.037109 is 18.9% of average load 0.195992 LDB: Average compute 0.004411 is 2.3% of average load 0.195992 LDB: TIME 14339.2 LOAD: AVG 0.195992 MAX 0.222192 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.547 MB LDB: TIME 14339.2 LOAD: AVG 0.195992 MAX 0.222192 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.75 MB LDB: TIME 14339.2 LOAD: AVG 0.195992 MAX 0.222192 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14339.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14339.2 PRESSURE: 4508400 12.6124 11.8546 -135.274 11.8537 144.664 -248.503 -135.273 -248.504 87.0446 GPRESSURE: 4508400 42.0007 42.4919 -223.393 70.3329 133.911 -114.801 -180.711 -179.603 149.156 PRESSAVG: 4508400 4.60273 -37.7297 -12.364 -37.7297 25.6349 -1.31134 -12.364 -1.31134 3.04139 GPRESSAVG: 4508400 4.83284 -39.1812 -11.7344 -37.0008 24.5442 -1.03686 -13.7985 0.0750946 3.94018 TIMING: 4508400 CPU: 14327.1, 0.00323581/step Wall: 14327.1, 0.00323581/step, 0.441868 hours remaining, 238.410156 MB of memory in use. ENERGY: 4508400 4008.3511 20580.0887 14347.0789 259.0645 -203358.6534 2703.8736 0.0000 0.0000 51797.2688 -109662.9279 297.6796 -161460.1967 -109301.3199 298.9293 81.4404 108.3560 761279.9457 11.0930 11.1057 PRESSURE: 4508600 398.176 -185.033 23.7209 -185.033 -148.597 -44.2034 23.7206 -44.2044 429.594 GPRESSURE: 4508600 479.184 -195.508 103.507 -135.44 -121.726 8.69326 -19.4509 30.5282 393.076 PRESSAVG: 4508600 35.817 -67.3354 4.6774 -67.3353 -37.34 -43.3111 4.67736 -43.3112 -7.06593 GPRESSAVG: 4508600 37.5297 -65.4564 4.15332 -68.18 -38.201 -45.2874 3.70113 -42.0247 -8.26181 TIMING: 4508600 CPU: 14327.8, 0.00319568/step Wall: 14327.8, 0.00319568/step, 0.43621 hours remaining, 238.480469 MB of memory in use. ENERGY: 4508600 3971.8751 20409.1355 14377.7151 234.5450 -203722.9925 3021.4530 0.0000 0.0000 51969.0307 -109739.2380 298.6667 -161708.2687 -109379.9053 298.8255 226.3910 250.1782 759582.3426 -2.8630 -2.9777 PRESSURE: 4508800 -195.008 89.778 57.1872 89.7772 -187.003 89.0134 57.1873 89.0139 341.57 GPRESSURE: 4508800 -205.43 -15.8663 63.5888 90.6262 -121.856 95.5039 101.749 131.478 362.86 PRESSAVG: 4508800 20.7791 -22.1003 -28.7344 -22.1003 2.09272 20.2601 -28.7344 20.2602 6.1665 GPRESSAVG: 4508800 20.0363 -24.6949 -28.7793 -21.4295 3.19979 20.9012 -26.0144 20.0077 5.3486 TIMING: 4508800 CPU: 14328.4, 0.00319204/step Wall: 14328.4, 0.00319204/step, 0.435535 hours remaining, 238.480469 MB of memory in use. ENERGY: 4508800 4012.2036 20311.5238 14376.0626 237.8916 -203230.7422 2477.8930 0.0000 0.0000 52286.5373 -109528.6304 300.4914 -161815.1677 -109150.3124 298.8234 -13.4805 11.8578 762018.8869 9.6794 9.5282 PRESSURE: 4509000 -180.724 41.0556 -79.9758 41.0565 -605.044 116.555 -79.9769 116.554 150.227 GPRESSURE: 4509000 -174.149 16.4628 -168.612 128.052 -529.853 128.638 -45.8221 -13.8707 144.582 PRESSAVG: 4509000 61.1374 7.61939 -15.9405 7.61938 -80.7156 12.709 -15.9405 12.709 16.9102 GPRESSAVG: 4509000 60.2476 6.4206 -16.0255 8.15565 -80.7833 14.4645 -16.0903 11.3575 17.9703 TIMING: 4509000 CPU: 14329.1, 0.00316815/step Wall: 14329.1, 0.00316815/step, 0.4321 hours remaining, 238.480469 MB of memory in use. ENERGY: 4509000 4026.4352 20636.6711 14396.0292 245.5232 -203179.8537 2378.1857 0.0000 0.0000 51936.3406 -109560.6688 298.4789 -161497.0094 -109193.3063 299.3795 -211.8473 -186.4733 759493.9918 -0.8893 -0.8552 PRESSURE: 4509200 -57.5297 -73.1743 -247.269 -73.1742 -12.7916 87.292 -247.269 87.2917 78.1877 GPRESSURE: 4509200 12.113 -100.544 -273.319 5.39534 -26.2902 83.3183 -288.556 187.795 113.884 PRESSAVG: 4509200 91.498 28.1991 -6.70772 28.199 -74.3969 31.1483 -6.70773 31.1483 6.08867 GPRESSAVG: 4509200 92.0475 30.3719 -7.23538 27.4147 -74.7488 30.271 -7.50511 32.5536 5.5297 TIMING: 4509200 CPU: 14329.7, 0.00315466/step Wall: 14329.7, 0.00315466/step, 0.430085 hours remaining, 238.480469 MB of memory in use. ENERGY: 4509200 4036.7488 20615.4025 14336.8816 239.7188 -203091.7134 2410.1715 0.0000 0.0000 52101.0592 -109351.7309 299.4255 -161452.7901 -108991.3056 298.9729 2.6221 33.2356 759992.2660 7.7299 7.6095 PRESSURE: 4509400 141.885 -30.5258 -52.408 -30.5254 -189.715 119.459 -52.408 119.46 -270.054 GPRESSURE: 4509400 230.593 63.8821 -168.734 -28.8675 -197.117 104.489 -75.0844 85.7595 -286.479 PRESSAVG: 4509400 0.560971 -60.0192 33.6653 -60.0193 -16.506 41.4431 33.6653 41.443 -10.9678 GPRESSAVG: 4509400 0.377549 -57.7819 34.6539 -60.1382 -16.9452 39.8216 33.8629 41.229 -10.5421 TIMING: 4509400 CPU: 14330.3, 0.0031515/step Wall: 14330.3, 0.0031515/step, 0.429479 hours remaining, 238.480469 MB of memory in use. ENERGY: 4509400 4029.6869 20620.6113 14374.6705 242.2557 -202985.8898 2308.3156 0.0000 0.0000 52004.0878 -109406.2620 298.8682 -161410.3498 -109041.9638 299.4806 -105.9612 -84.3344 762176.9293 -8.9710 -9.0366 PRESSURE: 4509600 -31.6736 -218.338 -36.0613 -218.337 302.104 110.71 -36.0612 110.71 19.7265 GPRESSURE: 4509600 26.676 -179.865 -83.7456 -103.67 302.168 63.515 15.0889 168.014 55.6201 PRESSAVG: 4509600 70.9089 -105.835 -29.7864 -105.835 -81.3773 5.20523 -29.7864 5.20517 -7.262 GPRESSAVG: 4509600 70.9774 -107.768 -29.4425 -107.581 -81.1767 4.41683 -32.1257 7.18465 -7.28568 TIMING: 4509600 CPU: 14330.9, 0.0031492/step Wall: 14330.9, 0.00314921/step, 0.428992 hours remaining, 238.480469 MB of memory in use. ENERGY: 4509600 4004.8749 20676.4639 14398.1935 221.3271 -203486.2386 2800.8667 0.0000 0.0000 52010.7794 -109373.7331 298.9067 -161384.5125 -109012.4409 299.2294 96.7190 128.1546 759990.1654 -5.9101 -5.8283 PRESSURE: 4509800 9.695 62.0829 133.107 62.0826 -200.463 34.0305 133.107 34.0294 45.0462 GPRESSURE: 4509800 57.9522 4.6446 53.5172 29.4854 -201.14 81.6532 247.101 15.0491 79.7471 PRESSAVG: 4509800 55.4349 -20.8787 -28.5085 -20.8787 -63.814 46.6872 -28.5086 46.6873 -17.1935 GPRESSAVG: 4509800 54.9037 -21.3791 -29.8326 -19.8576 -63.6148 50.4204 -25.4404 44.185 -16.8429 TIMING: 4509800 CPU: 14331.6, 0.00315924/step Wall: 14331.6, 0.00315924/step, 0.430184 hours remaining, 238.480469 MB of memory in use. ENERGY: 4509800 3969.7841 20667.3554 14396.2573 268.8185 -203364.6836 2527.5532 0.0000 0.0000 52109.5806 -109425.3346 299.4745 -161534.9152 -109068.5748 299.2451 -48.5738 -21.1470 760575.1996 -8.5242 -8.5180 PRESSURE: 4510000 247.035 -150.586 -56.3687 -150.586 -404.942 194.896 -56.3687 194.896 271.431 GPRESSURE: 4510000 235.805 -126.084 -74.5158 -121.704 -270.296 157.027 116.033 206.477 240.22 PRESSAVG: 4510000 30.5627 -58.4811 -24.3419 -58.4812 -44.1563 1.71117 -24.3418 1.71123 10.1193 GPRESSAVG: 4510000 31.3202 -59.001 -24.7162 -56.7671 -44.1528 -0.346772 -24.8342 3.24818 9.23662 TIMING: 4510000 CPU: 14332.2, 0.00319643/step Wall: 14332.2, 0.00319643/step, 0.43507 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4510000 3984.4077 20575.9681 14386.5818 265.9594 -203392.4070 2612.0877 0.0000 0.0000 52170.2305 -109397.1717 299.8230 -161567.4022 -109036.2593 299.2921 37.8413 68.5766 759440.1604 -1.1581 -1.1987 PRESSURE: 4510200 -30.7511 -44.4105 146.514 -44.4109 -122.261 -94.4699 146.514 -94.4696 -48.8885 GPRESSURE: 4510200 -21.6608 -185.41 118.249 -1.87386 -140.674 10.6696 119.175 -113.938 52.4043 PRESSAVG: 4510200 -9.3221 -26.3972 -15.7776 -26.3972 33.1438 -10.268 -15.7776 -10.268 16.1573 GPRESSAVG: 4510200 -10.1353 -26.8156 -14.396 -25.4431 32.0772 -9.92998 -16.6395 -10.2802 17.8703 TIMING: 4510200 CPU: 14332.8, 0.00316839/step Wall: 14332.8, 0.00316839/step, 0.431077 hours remaining, 238.480469 MB of memory in use. ENERGY: 4510200 4031.6401 20511.4316 14426.6637 258.4237 -203082.1959 2340.1101 0.0000 0.0000 52129.5528 -109384.3739 299.5893 -161513.9267 -109032.4132 299.7036 -67.3003 -36.6435 761558.2357 13.3263 13.2708 PRESSURE: 4510400 73.2469 38.8894 -166.274 38.8885 6.73987 -112.467 -166.274 -112.466 109.292 GPRESSURE: 4510400 172.867 78.975 -136.237 61.6456 7.79205 -90.2743 -78.2804 -80.6253 105.952 PRESSAVG: 4510400 -5.66048 33.3193 22.1229 33.3193 -32.577 8.66506 22.1228 8.66509 0.0461443 GPRESSAVG: 4510400 -6.16501 33.6691 21.9047 32.436 -30.951 8.83885 21.871 7.38309 -0.932013 TIMING: 4510400 CPU: 14333.5, 0.00315824/step Wall: 14333.5, 0.00315824/step, 0.42952 hours remaining, 238.480469 MB of memory in use. ENERGY: 4510400 3930.6790 20555.4505 14410.3603 244.3222 -203450.9583 2688.6647 0.0000 0.0000 52239.0450 -109382.4366 300.2185 -161621.4816 -109018.3963 299.3012 63.0929 95.5370 761713.7905 -12.7305 -12.6827 PRESSURE: 4510600 144.206 -89.3959 64.0863 -89.3972 -170.512 225.906 64.086 225.907 360 GPRESSURE: 4510600 97.9608 -41.9338 17.1677 -107.991 -216.25 260.231 -3.99111 143.859 535.986 PRESSAVG: 4510600 47.8119 -29.1004 -6.54623 -29.1004 -40.2531 -4.38845 -6.54624 -4.38851 -8.24513 GPRESSAVG: 4510600 46.9216 -31.1282 -7.83649 -27.4298 -40.0666 -3.53434 -7.08482 -5.20639 -7.35284 TIMING: 4510600 CPU: 14334.1, 0.00316733/step Wall: 14334.1, 0.00316733/step, 0.43058 hours remaining, 238.480469 MB of memory in use. ENERGY: 4510600 3977.4101 20528.3107 14426.0283 259.6949 -203480.8924 2773.9768 0.0000 0.0000 52036.4223 -109479.0494 299.0540 -161515.4717 -109116.3897 298.9624 111.2312 139.2324 760361.2474 -0.2288 -0.1659 PRESSURE: 4510800 79.4739 17.3917 -124.352 17.392 261.947 2.5131 -124.353 2.5129 257.746 GPRESSURE: 4510800 217.079 -62.1951 -260.516 -11.4472 322.522 -98.9248 -108.658 23.9012 125.609 PRESSAVG: 4510800 14.1028 -47.9382 -13.6604 -47.9382 -64.8975 -21.3387 -13.6605 -21.3387 -38.3778 GPRESSAVG: 4510800 16.9075 -44.6139 -12.9251 -49.7679 -66.6277 -23.6233 -11.596 -22.5926 -38.8715 TIMING: 4510800 CPU: 14334.7, 0.00316473/step Wall: 14334.7, 0.00316473/step, 0.430052 hours remaining, 238.480469 MB of memory in use. ENERGY: 4510800 3925.4605 20468.0048 14395.7870 258.1467 -203179.2642 2468.7202 0.0000 0.0000 52014.5993 -109648.5458 298.9286 -161663.1451 -109281.4461 298.6578 199.7224 221.7366 760199.0607 -29.7242 -29.5306 PRESSURE: 4511000 138.471 -194.887 -169.205 -194.888 127.285 -110.206 -169.204 -110.206 531.64 GPRESSURE: 4511000 90.9456 -306.404 -134.831 -280.36 206.466 -60.0763 -216.649 -19.5917 584.174 PRESSAVG: 4511000 24.3955 -48.8185 -63.433 -48.8185 -36.5795 26.0628 -63.433 26.0629 20.2906 GPRESSAVG: 4511000 23.9628 -50.2657 -63.4229 -46.7858 -34.6044 28.635 -64.5745 27.1462 19.113 TIMING: 4511000 CPU: 14335.4, 0.00318406/step Wall: 14335.4, 0.00318406/step, 0.432502 hours remaining, 238.480469 MB of memory in use. ENERGY: 4511000 3935.6451 20500.9129 14375.1832 256.3869 -203777.2179 3001.7060 0.0000 0.0000 52090.8298 -109616.5540 299.3667 -161707.3838 -109243.3257 298.9686 265.7986 293.8621 760128.3655 2.7022 2.8238 PRESSURE: 4511200 -257.12 16.7702 -86.0932 16.7706 -432.766 -1.55147 -86.0926 -1.55107 -286.648 GPRESSURE: 4511200 -280.845 -17.1858 -44.0726 17.6643 -353.694 -37.3259 162.683 -2.59631 -240.924 PRESSAVG: 4511200 24.8326 -61.1545 20.7377 -61.1545 -27.4714 1.5581 20.7377 1.55806 14.0757 GPRESSAVG: 4511200 23.4835 -61.3474 22.0828 -62.2306 -27.4983 0.50292 20.2282 2.99706 15.1683 TIMING: 4511200 CPU: 14336, 0.00315635/step Wall: 14336, 0.00315635/step, 0.428563 hours remaining, 238.480469 MB of memory in use. ENERGY: 4511200 3977.6574 20678.9576 14411.2293 255.4548 -203445.6133 2418.3747 0.0000 0.0000 52087.5572 -109616.3822 299.3479 -161703.9394 -109265.3334 299.4124 -325.5110 -291.8210 761440.6848 3.8123 3.7178 PRESSURE: 4511400 176.699 -191.753 282.666 -191.753 -75.4498 -32.704 282.666 -32.7047 -273.614 GPRESSURE: 4511400 206.419 -245.694 316.44 -228.04 -56.6463 -56.2233 178.104 27.5867 -238.779 PRESSAVG: 4511400 57.849 -38.4681 -50.4504 -38.4681 -21.9642 3.00519 -50.4504 3.00514 9.45873 GPRESSAVG: 4511400 58.8474 -36.6543 -51.0276 -40.7195 -22.5073 2.47899 -49.9627 2.77973 8.61953 TIMING: 4511400 CPU: 14336.6, 0.00315753/step Wall: 14336.6, 0.00315753/step, 0.428547 hours remaining, 238.480469 MB of memory in use. ENERGY: 4511400 3990.0357 20572.2370 14420.8395 241.0228 -203502.1820 2765.3785 0.0000 0.0000 52059.4164 -109453.2520 299.1862 -161512.6684 -109075.6615 299.1383 -57.4551 -29.6690 761459.6550 15.1145 14.9866 PRESSURE: 4511600 -84.4818 -13.7524 -165.152 -13.7521 -28.4776 271.773 -165.153 271.773 135.537 GPRESSURE: 4511600 -85.3555 19.1815 -98.2013 -104.908 45.3101 274.539 -199.262 265.998 142.163 PRESSAVG: 4511600 -25.1814 17.2765 21.1795 17.2765 -18.3279 13.1087 21.1794 13.1087 9.41464 GPRESSAVG: 4511600 -26.7972 15.1969 19.5784 18.316 -17.2353 12.9965 19.6048 10.752 9.50939 TIMING: 4511600 CPU: 14337.3, 0.00317768/step Wall: 14337.3, 0.00317768/step, 0.431105 hours remaining, 238.480469 MB of memory in use. ENERGY: 4511600 3903.4784 20554.5127 14358.1221 254.8264 -203472.3409 2699.4456 0.0000 0.0000 52118.5616 -109583.3942 299.5261 -161701.9558 -109225.5076 299.1969 7.5259 34.0392 761086.6862 -11.3649 -11.5077 PRESSURE: 4511800 -84.0819 -126.952 79.8981 -126.952 290.888 -93.4905 79.8984 -93.4899 150.823 GPRESSURE: 4511800 41.7361 27.6058 49.4884 -88.8584 225.62 -83.3272 181.881 16.1624 170.876 PRESSAVG: 4511800 10.2191 -48.7689 -13.9399 -48.769 11.6504 -20.7305 -13.9399 -20.7306 -3.36443 GPRESSAVG: 4511800 11.2174 -47.11 -11.6494 -50.3399 10.9429 -21.1611 -11.922 -18.7126 -3.27225 TIMING: 4511800 CPU: 14337.9, 0.00315209/step Wall: 14337.9, 0.00315209/step, 0.427459 hours remaining, 238.480469 MB of memory in use. ENERGY: 4511800 4046.6397 20494.5582 14401.7970 256.5845 -203488.5592 2825.5948 0.0000 0.0000 51973.5888 -109489.7962 298.6929 -161463.3850 -109135.1050 298.8179 119.2099 146.0773 762375.8351 6.1683 6.2960 PRESSURE: 4512000 -246.062 241.004 -42.6944 241.003 -183.921 -204.018 -42.6942 -204.017 -185.072 GPRESSURE: 4512000 -235.35 198.374 -17.8741 250.652 -156.594 -115.221 -166.372 -124.961 -148.4 PRESSAVG: 4512000 36.6998 -14.2383 -15.674 -14.2383 -27.6794 0.0350807 -15.674 0.0350137 11.4181 GPRESSAVG: 4512000 37.5032 -14.5509 -17.8377 -12.4716 -27.5163 0.992262 -16.1444 -0.153673 10.2821 TIMING: 4512000 CPU: 14338.5, 0.00315948/step Wall: 14338.5, 0.00315948/step, 0.428286 hours remaining, 238.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4512000 4021.1110 20318.0051 14412.5337 226.3575 -203248.9539 2468.2436 0.0000 0.0000 52313.7231 -109488.9798 300.6477 -161802.7029 -109114.7683 299.2376 -205.0183 -180.1149 761358.8283 6.8128 6.7564 PRESSURE: 4512200 258.181 -113.461 93.6882 -113.46 -76.7077 -62.5721 93.6878 -62.5717 161.674 GPRESSURE: 4512200 278.905 -26.9423 74.9897 -89.8245 -2.00996 -115.038 44.7497 -17.224 171.871 PRESSAVG: 4512200 18.9816 11.2716 -52.747 11.2716 3.8006 12.0098 -52.747 12.0098 14.3592 GPRESSAVG: 4512200 19.07 10.0725 -51.8104 12.1905 4.03222 10.793 -53.0907 14.2709 14.6288 TIMING: 4512200 CPU: 14339.2, 0.00315102/step Wall: 14339.2, 0.00315102/step, 0.426964 hours remaining, 238.480469 MB of memory in use. ENERGY: 4512200 3918.3685 20686.2445 14408.3471 223.8053 -203469.7146 2621.5854 0.0000 0.0000 52196.0749 -109415.2888 299.9716 -161611.3637 -109046.3264 299.4005 114.3823 149.5885 760112.4739 12.3805 12.5770 LDB: ============= START OF LOAD BALANCING ============== 14351.6 LDB: ============== END OF LOAD BALANCING =============== 14351.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14351.6 LDB: ============= START OF LOAD BALANCING ============== 14351.9 LDB: Largest compute 7066 load 0.036251 is 18.5% of average load 0.196019 LDB: Average compute 0.004385 is 2.2% of average load 0.196019 LDB: TIME 14351.9 LOAD: AVG 0.196019 MAX 0.218003 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 14351.9 LOAD: AVG 0.196019 MAX 0.218003 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 14351.9 LOAD: AVG 0.196019 MAX 0.218003 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14351.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14351.9 PRESSURE: 4512400 54.4928 -231.07 100.511 -231.07 293.927 -119.459 100.512 -119.459 -39.2509 GPRESSURE: 4512400 25.1374 -229.784 158.984 -169.247 315.579 -143.055 88.4359 -154.195 53.237 PRESSAVG: 4512400 -7.52651 -15.1164 -72.9431 -15.1164 0.685586 4.39254 -72.9431 4.39252 12.9078 GPRESSAVG: 4512400 -7.73783 -15.9247 -73.0669 -14.5434 1.08829 5.09273 -73.0786 1.97217 12.9638 TIMING: 4512400 CPU: 14339.8, 0.00324697/step Wall: 14339.8, 0.00324697/step, 0.439783 hours remaining, 238.468750 MB of memory in use. ENERGY: 4512400 3971.6971 20668.5791 14381.0469 222.8880 -203399.4369 2525.4111 0.0000 0.0000 52247.0854 -109382.7294 300.2647 -161629.8148 -109009.2933 299.6304 103.0563 131.3179 760325.6906 2.0223 2.1048 PRESSURE: 4512600 -248.794 32.1062 -360.596 32.1061 -549.412 207.556 -360.596 207.557 -245.458 GPRESSURE: 4512600 -227.856 66.6706 -332.336 42.8575 -469.301 274.598 -175.407 191.578 -258.994 PRESSAVG: 4512600 18.8122 -31.3188 -87.4149 -31.3188 -12.9608 -6.73084 -87.4149 -6.73085 -9.34089 GPRESSAVG: 4512600 18.1987 -31.3603 -88.1659 -33.488 -13.3252 -7.05266 -86.588 -5.26847 -7.68248 TIMING: 4512600 CPU: 14340.5, 0.00316328/step Wall: 14340.5, 0.00316328/step, 0.428273 hours remaining, 238.468750 MB of memory in use. ENERGY: 4512600 4057.9290 20519.6304 14394.9862 252.4818 -203005.0657 2204.9012 0.0000 0.0000 51942.5347 -109632.6024 298.5145 -161575.1370 -109261.3198 299.3068 -347.8878 -318.7167 762427.3406 -1.1631 -0.9363 PRESSURE: 4512800 -391.989 137.273 -57.8088 137.273 121.324 135.109 -57.8087 135.109 -126.547 GPRESSURE: 4512800 -337.682 64.6816 76.3848 148.216 121.507 11.2152 26.9966 211.866 -121.695 PRESSAVG: 4512800 13.9163 -43.8458 -48.2991 -43.8457 -30.7654 16.4323 -48.2992 16.4323 0.78156 GPRESSAVG: 4512800 15.5165 -42.3396 -47.7242 -44.063 -31.5241 16.3974 -48.2544 17.2931 0.420105 TIMING: 4512800 CPU: 14341.1, 0.00315049/step Wall: 14341.1, 0.00315049/step, 0.426366 hours remaining, 238.468750 MB of memory in use. ENERGY: 4512800 3950.6217 20625.9943 14395.8517 258.1955 -203295.9366 2406.5898 0.0000 0.0000 52168.7363 -109489.9473 299.8144 -161658.6836 -109132.9216 299.5116 -132.4039 -112.6234 760068.5617 -5.3558 -5.1958 PRESSURE: 4513000 10.5091 -89.6388 -19.539 -89.6391 79.0156 10.2185 -19.5383 10.2178 -311.614 GPRESSURE: 4513000 115.185 -145.682 40.9072 13.7398 40.6863 -92.3844 59.2334 -65.5329 -278.512 PRESSAVG: 4513000 6.67026 -29.8572 -22.6485 -29.8572 36.4469 46.1206 -22.6485 46.1207 16.0556 GPRESSAVG: 4513000 5.63885 -32.4013 -22.6062 -28.2949 37.2573 45.2888 -24.2621 42.6997 16.6925 TIMING: 4513000 CPU: 14341.7, 0.00318934/step Wall: 14341.7, 0.00318934/step, 0.431447 hours remaining, 238.468750 MB of memory in use. ENERGY: 4513000 4076.7411 20661.5638 14341.8358 255.3984 -203258.5228 2334.4936 0.0000 0.0000 51970.8516 -109617.6385 298.6772 -161588.4901 -109264.8790 299.7560 -74.0299 -40.8803 760640.6324 19.7243 19.8629 PRESSURE: 4513200 -23.3143 14.8414 87.7213 14.8417 -129.884 136.91 87.7203 136.911 32.1468 GPRESSURE: 4513200 62.8759 97.3572 179.288 8.4617 -78.0987 201.843 85.126 1.44795 -7.19343 PRESSAVG: 4513200 11.4417 -17.488 17.478 -17.488 -18.5819 56.8906 17.478 56.8906 -3.94781 GPRESSAVG: 4513200 12.4868 -17.6097 18.6742 -17.8677 -18.1591 56.0091 19.5977 59.196 -4.9739 TIMING: 4513200 CPU: 14342.4, 0.0032216/step Wall: 14342.4, 0.0032216/step, 0.435632 hours remaining, 238.468750 MB of memory in use. ENERGY: 4513200 4075.6567 20645.9869 14390.9676 235.9477 -204096.1286 2946.8540 0.0000 0.0000 52179.2385 -109621.4771 299.8748 -161800.7156 -109252.6677 299.1110 -40.3504 -7.4721 760124.0255 -3.6960 -3.5487 PRESSURE: 4513400 20.9063 71.4253 -169.476 71.4261 -202.05 -74.2754 -169.476 -74.2752 106.237 GPRESSURE: 4513400 -34.4555 69.9623 -71.9311 0.0781664 -117.786 -119.548 -135.276 -139.687 144.599 PRESSAVG: 4513400 34.9604 -34.1435 -14.9591 -34.1435 -19.5403 -9.15534 -14.9591 -9.15529 -2.03441 GPRESSAVG: 4513400 34.6188 -31.923 -16.1975 -36.4061 -18.7328 -7.39917 -15.4455 -9.96102 -2.61671 TIMING: 4513400 CPU: 14343, 0.00317463/step Wall: 14343, 0.00317463/step, 0.429104 hours remaining, 238.468750 MB of memory in use. ENERGY: 4513400 4053.1906 20463.8398 14480.4434 252.8813 -203748.5407 2862.5649 0.0000 0.0000 51943.1752 -109692.4455 298.5181 -161635.6207 -109338.5216 299.0756 -24.9687 -2.5473 760666.1704 4.4619 4.4231 PRESSURE: 4513600 98.6812 -36.2384 -41.1225 -36.2384 183.145 48.363 -41.1226 48.3635 -83.9737 GPRESSURE: 4513600 195.792 -55.997 -74.0069 -34.9237 209.188 73.8655 -41.1215 29.5068 -132.122 PRESSAVG: 4513600 40.7856 -39.3382 -5.83499 -39.3382 -39.3172 29.3955 -5.83498 29.3956 -21.2837 GPRESSAVG: 4513600 39.9363 -38.9723 -5.27115 -37.8249 -40.1071 28.832 -8.19364 31.084 -20.2196 TIMING: 4513600 CPU: 14343.6, 0.00316373/step Wall: 14343.6, 0.00316373/step, 0.427455 hours remaining, 238.468750 MB of memory in use. ENERGY: 4513600 3986.0184 20543.2132 14390.7262 245.3994 -203518.5531 2730.9535 0.0000 0.0000 52057.1779 -109565.0644 299.1733 -161622.2424 -109201.2970 299.0331 65.9510 90.9526 761422.8813 -6.6051 -6.7968 PRESSURE: 4513800 162.818 56.201 -73.1201 56.2001 21.707 148.19 -73.1205 148.188 451.705 GPRESSURE: 4513800 176.644 76.4787 25.4759 114.373 130.661 145.127 0.197783 0.018316 413.504 PRESSAVG: 4513800 44.8023 -30.4005 -1.01447 -30.4004 -5.20983 -4.59721 -1.01447 -4.59722 13.5377 GPRESSAVG: 4513800 45.0781 -31.7367 -1.83419 -30.6204 -4.5467 -5.11231 0.0235656 -5.48605 12.4999 TIMING: 4513800 CPU: 14344.3, 0.00316653/step Wall: 14344.3, 0.00316653/step, 0.427658 hours remaining, 238.468750 MB of memory in use. ENERGY: 4513800 3973.0327 20528.6263 14359.3975 244.6758 -203908.7239 2984.6395 0.0000 0.0000 52114.6562 -109703.6958 299.5036 -161818.3519 -109334.8110 299.2408 212.0768 240.2694 761803.0940 17.7101 17.6771 PRESSURE: 4514000 80.826 -66.9175 -9.19203 -66.9176 -640.644 131.839 -9.19278 131.838 77.6645 GPRESSURE: 4514000 128.631 -103.06 -71.347 0.178484 -592.567 58.401 23.2561 12.3092 65.1703 PRESSAVG: 4514000 69.9382 -49.7489 7.93041 -49.7489 -29.5141 -3.68299 7.93035 -3.68304 9.17437 GPRESSAVG: 4514000 70.9015 -49.8507 8.22223 -47.941 -31.7063 -3.04516 9.05748 -4.36622 9.83139 TIMING: 4514000 CPU: 14344.9, 0.00316242/step Wall: 14344.9, 0.00316242/step, 0.426927 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4514000 4061.8770 20662.6036 14374.2265 250.2271 -203311.3283 2511.3423 0.0000 0.0000 51804.5811 -109646.4705 297.7216 -161451.0517 -109279.9910 299.2952 -160.7177 -132.9219 761505.7816 16.5328 16.3422 PRESSURE: 4514200 -42.2797 38.6907 79.7584 38.691 -403.232 -181.812 79.758 -181.813 -108.185 GPRESSURE: 4514200 3.92501 -40.0614 -20.2437 121.225 -414.972 -95.6862 -1.35892 -255.993 -56.1837 PRESSAVG: 4514200 30.5635 6.84201 2.13035 6.84204 -25.1291 -32.582 2.13041 -32.5819 4.85086 GPRESSAVG: 4514200 28.7993 7.31519 1.68179 5.54109 -22.9673 -31.8272 1.59155 -33.106 4.47219 TIMING: 4514200 CPU: 14345.5, 0.00315894/step Wall: 14345.5, 0.00315894/step, 0.426282 hours remaining, 238.468750 MB of memory in use. ENERGY: 4514200 3917.8472 20381.5800 14494.2726 244.2662 -203146.9211 2395.4036 0.0000 0.0000 52119.5217 -109594.0299 299.5316 -161713.5516 -109228.2921 298.8653 -184.5656 -155.7437 760740.6288 3.4284 3.4347 PRESSURE: 4514400 -62.4853 53.0425 199.557 53.0413 -370.382 -279.588 199.557 -279.588 72.4257 GPRESSURE: 4514400 -114.218 42.7136 200.664 -51.8581 -269.573 -292.877 163.715 -229.824 104.958 PRESSAVG: 4514400 56.3877 22.8351 11.3914 22.8351 -8.36686 -13.5833 11.3914 -13.5832 16.3181 GPRESSAVG: 4514400 56.5812 20.3387 12.6576 23.7091 -8.17556 -15.825 11.597 -11.2392 16.2875 TIMING: 4514400 CPU: 14346.2, 0.00315558/step Wall: 14346.2, 0.00315558/step, 0.425653 hours remaining, 238.468750 MB of memory in use. ENERGY: 4514400 3968.8112 20607.7973 14406.9491 242.9410 -203263.4114 2584.4401 0.0000 0.0000 51889.6202 -109562.8524 298.2104 -161452.4726 -109199.0943 299.3947 -120.1472 -92.9442 760157.4466 21.4463 21.5644 PRESSURE: 4514600 -22.8984 -156.082 -106.196 -156.081 119.087 -91.1471 -106.197 -91.1475 212.104 GPRESSURE: 4514600 -9.22008 -95.0922 -79.4571 -146.405 139.59 -147.988 -60.8807 -167.07 262.735 PRESSAVG: 4514600 -12.4609 -32.6088 34.9269 -32.6088 -25.9083 -24.4231 34.9269 -24.4231 33.0338 GPRESSAVG: 4514600 -10.623 -31.2652 33.1539 -34.376 -27.3215 -20.8063 34.9879 -26.0369 32.9749 TIMING: 4514600 CPU: 14346.8, 0.00316852/step Wall: 14346.8, 0.00316852/step, 0.427222 hours remaining, 238.468750 MB of memory in use. ENERGY: 4514600 4031.3424 20543.5521 14460.5828 264.2391 -203867.9530 2664.1992 0.0000 0.0000 52275.5215 -109628.5159 300.4281 -161904.0374 -109265.5905 299.2225 102.7640 131.0352 758983.1517 -1.7785 -1.6565 PRESSURE: 4514800 -375.54 113.946 116.042 113.945 -64.1963 109.324 116.041 109.323 51.5049 GPRESSURE: 4514800 -295.619 116.162 115.48 121.53 -30.1556 109.324 78.4785 110.9 20.7857 PRESSAVG: 4514800 22.975 -59.3519 27.5688 -59.3519 -15.0417 64.2931 27.5688 64.2931 -24.8431 GPRESSAVG: 4514800 21.7267 -58.1717 28.4509 -59.9149 -14.7068 61.8947 24.9678 63.7805 -24.5373 TIMING: 4514800 CPU: 14347.4, 0.00318089/step Wall: 14347.4, 0.00318089/step, 0.428713 hours remaining, 238.468750 MB of memory in use. ENERGY: 4514800 3971.3916 20516.2871 14387.5369 271.1537 -203290.5491 2536.2759 0.0000 0.0000 51974.3573 -109633.5466 298.6973 -161607.9039 -109265.6107 299.2289 -129.4105 -101.6629 762705.1784 -5.6366 -5.8391 PRESSURE: 4515000 -17.4583 15.988 -153.706 15.9872 -19.9202 3.51525 -153.706 3.51541 -6.53233 GPRESSURE: 4515000 -63.0212 130.95 -154.152 102.832 -19.261 5.58938 -192.316 20.9764 108.432 PRESSAVG: 4515000 -10.2489 -43.7091 25.1232 -43.7091 -67.9593 19.2244 25.1232 19.2244 -3.86043 GPRESSAVG: 4515000 -10.3027 -44.9704 24.7989 -41.1103 -68.1636 20.2065 26.4125 19.1906 -3.78714 TIMING: 4515000 CPU: 14348.1, 0.00320174/step Wall: 14348.1, 0.00320173/step, 0.431345 hours remaining, 238.468750 MB of memory in use. ENERGY: 4515000 4001.7555 20480.2076 14442.0697 255.1305 -203205.0727 2523.8409 0.0000 0.0000 51946.8968 -109555.1717 298.5395 -161502.0685 -109182.9232 299.0432 -14.6369 8.7166 762704.4837 -27.3562 -27.4178 PRESSURE: 4515200 55.5317 36.096 -25.4731 36.0967 -564.494 24.6427 -25.4732 24.6426 87.5264 GPRESSURE: 4515200 37.007 -71.1756 -42.4775 29.8002 -420.313 -1.71215 10.3029 68.1425 63.1941 PRESSAVG: 4515200 46.6048 -23.8535 9.77767 -23.8535 -13.5834 15.2483 9.77763 15.2483 8.66616 GPRESSAVG: 4515200 46.1748 -23.8605 9.22982 -25.4563 -12.0384 13.0884 9.22933 17.4028 7.52869 TIMING: 4515200 CPU: 14348.7, 0.00318441/step Wall: 14348.7, 0.00318441/step, 0.428834 hours remaining, 238.468750 MB of memory in use. ENERGY: 4515200 3961.1304 20441.4754 14459.5391 234.2478 -203380.3573 2469.6319 0.0000 0.0000 52214.7694 -109599.5635 300.0790 -161814.3328 -109238.6602 298.9377 -140.4787 -106.7039 760014.3140 13.8958 13.8884 PRESSURE: 4515400 32.2298 101.912 90.3525 101.911 94.7945 244.822 90.3518 244.822 417.982 GPRESSURE: 4515400 65.529 148.007 50.6853 164.708 147.941 231.991 160.531 -11.2141 419.553 PRESSAVG: 4515400 4.22039 30.3672 17.1434 30.3672 -5.39039 -5.68981 17.1434 -5.68973 3.86955 GPRESSAVG: 4515400 4.9623 31.1935 18.1438 28.6418 -5.51428 -4.51936 19.0768 -6.84944 3.5212 TIMING: 4515400 CPU: 14349.3, 0.00316852/step Wall: 14349.3, 0.00316852/step, 0.426518 hours remaining, 238.468750 MB of memory in use. ENERGY: 4515400 3930.6162 20512.6130 14441.3541 255.2555 -203428.8138 2674.3165 0.0000 0.0000 52031.2008 -109583.4578 299.0240 -161614.6585 -109217.6946 299.0864 181.6686 211.0076 760757.0762 0.8998 0.9897 PRESSURE: 4515600 -137.244 -8.7114 -136.536 -8.7115 115.598 -23.1178 -136.537 -23.118 -137.349 GPRESSURE: 4515600 -76.4368 -72.4771 -93.9397 179.559 112.125 -62.8235 -243.297 -3.01258 -134.05 PRESSAVG: 4515600 -17.623 56.3685 -31.5719 56.3684 2.5642 -2.92252 -31.5719 -2.92245 -9.99193 GPRESSAVG: 4515600 -18.3539 57.5181 -32.2902 59.2583 1.68993 -0.232296 -32.4796 -3.8942 -8.60211 TIMING: 4515600 CPU: 14350, 0.00317983/step Wall: 14350, 0.00317983/step, 0.427864 hours remaining, 238.468750 MB of memory in use. ENERGY: 4515600 3998.4617 20380.3177 14376.6005 246.3049 -203278.9652 2473.2469 0.0000 0.0000 52339.5989 -109464.4345 300.7964 -161804.0334 -109101.3128 299.4018 -52.9982 -32.7873 760543.0300 -8.3503 -8.4220 PRESSURE: 4515800 189.215 105.076 59.1368 105.076 -73.2342 -207.898 59.1374 -207.899 -237.989 GPRESSURE: 4515800 191.263 146.262 45.2279 96.4194 -71.7602 -271.666 -33.6189 -168.492 -168.273 PRESSAVG: 4515800 -8.23056 8.78291 -2.26972 8.78304 -47.5068 -44.4349 -2.26975 -44.4349 0.144323 GPRESSAVG: 4515800 -7.51342 7.94725 -1.21226 9.00842 -48.4888 -47.3053 -3.40024 -41.804 0.264862 TIMING: 4515800 CPU: 14350.6, 0.00315731/step Wall: 14350.6, 0.00315731/step, 0.424658 hours remaining, 238.468750 MB of memory in use. ENERGY: 4515800 3992.5554 20425.2874 14432.1504 251.3393 -203288.0783 2730.3390 0.0000 0.0000 52087.1637 -109369.2431 299.3456 -161456.4068 -109003.3649 299.7397 -40.6694 -16.2566 761614.7533 -18.5310 -18.5791 PRESSURE: 4516000 313.311 85.5309 -131.123 85.5311 131.676 120.132 -131.124 120.132 -95.8517 GPRESSURE: 4516000 234.011 78.0862 -102.37 15.923 323.522 80.1012 -105.841 111.489 -106.566 PRESSAVG: 4516000 16.4779 52.3522 -11.1377 52.3523 6.16428 -1.23682 -11.1377 -1.23684 13.2676 GPRESSAVG: 4516000 16.9411 51.4798 -12.9858 51.9719 7.33033 -2.64157 -9.09493 -1.45986 11.7038 TIMING: 4516000 CPU: 14351.2, 0.00315853/step Wall: 14351.2, 0.00315853/step, 0.424647 hours remaining, 238.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4516000 3979.0957 20408.9947 14405.1105 254.1980 -203193.1316 2569.4476 0.0000 0.0000 52116.6108 -109459.6743 299.5149 -161576.2851 -109084.7209 299.4753 116.3781 150.3221 763659.3256 11.9699 11.9918 PRESSURE: 4516200 130.459 35.5634 -11.6073 35.5636 -172.225 48.9052 -11.607 48.9049 663.201 GPRESSURE: 4516200 254.541 -97.905 15.0882 92.123 -180.176 102.038 -9.01527 46.979 612.97 PRESSAVG: 4516200 2.21688 -6.34942 20.7666 -6.34945 4.24625 -31.8898 20.7666 -31.8898 26.4215 GPRESSAVG: 4516200 1.64617 -6.15716 22.1559 -6.70055 3.94987 -29.1679 20.7076 -33.5244 26.8831 TIMING: 4516200 CPU: 14351.9, 0.00315955/step Wall: 14351.9, 0.00315955/step, 0.424608 hours remaining, 238.468750 MB of memory in use. ENERGY: 4516200 4009.8502 20477.0081 14345.3700 263.5767 -203406.6740 2765.6833 0.0000 0.0000 51928.2955 -109616.8902 298.4326 -161545.1857 -109260.1227 298.9766 207.1452 229.1120 762182.1369 10.9616 10.8264 LDB: ============= START OF LOAD BALANCING ============== 14364.3 LDB: ============== END OF LOAD BALANCING =============== 14364.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14364.3 LDB: ============= START OF LOAD BALANCING ============== 14364.6 LDB: Largest compute 7067 load 0.035100 is 17.9% of average load 0.196002 LDB: Average compute 0.004405 is 2.2% of average load 0.196002 LDB: TIME 14364.6 LOAD: AVG 0.196002 MAX 0.218672 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 14364.6 LOAD: AVG 0.196002 MAX 0.218672 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: TIME 14364.6 LOAD: AVG 0.196002 MAX 0.218672 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.211 MB LDB: ============== END OF LOAD BALANCING =============== 14364.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14364.6 PRESSURE: 4516400 -13.773 92.6619 40.2496 92.6621 349.509 -86.4814 40.2492 -86.4815 -194.614 GPRESSURE: 4516400 74.8092 34.1423 -32.6577 44.8256 338.374 -204.049 109.903 -34.01 -195.574 PRESSAVG: 4516400 -8.83816 0.289461 -12.2761 0.289387 -36.0887 -9.26548 -12.276 -9.26553 -30.4281 GPRESSAVG: 4516400 -8.46252 -1.00427 -11.6602 2.70089 -37.0681 -10.8332 -15.4692 -7.9527 -29.3405 TIMING: 4516400 CPU: 14352.5, 0.00322764/step Wall: 14352.5, 0.00322764/step, 0.433579 hours remaining, 237.640625 MB of memory in use. ENERGY: 4516400 3949.5640 20508.0276 14376.9658 234.8087 -203832.6181 2999.4696 0.0000 0.0000 51986.6016 -109777.1807 298.7677 -161763.7823 -109417.9926 298.5374 47.0409 72.5363 762061.4884 -25.1183 -24.9570 PRESSURE: 4516600 128.193 32.3002 350.247 32.2998 -222.842 -10.6278 350.247 -10.6276 -53.6823 GPRESSURE: 4516600 100.037 12.802 369.406 6.97828 -133.679 -51.775 331.678 -79.4587 -29.5201 PRESSAVG: 4516600 -3.9575 -18.5729 21.4142 -18.5729 18.0462 -11.7913 21.4143 -11.7913 6.68207 GPRESSAVG: 4516600 -4.47364 -16.923 20.9649 -21.6284 17.9958 -9.68007 23.7051 -14.9659 6.20286 TIMING: 4516600 CPU: 14353.2, 0.00314695/step Wall: 14353.2, 0.00314695/step, 0.422566 hours remaining, 237.843750 MB of memory in use. ENERGY: 4516600 4001.0292 20362.8213 14456.2154 241.5650 -203335.7796 2510.1292 0.0000 0.0000 51816.2554 -109947.7641 297.7887 -161764.0195 -109594.9729 298.5338 -49.4436 -21.0539 762526.5222 6.9236 6.5750 PRESSURE: 4516800 58.2179 -22.5634 -177.399 -22.5634 173.924 69.4341 -177.399 69.4345 -164.486 GPRESSURE: 4516800 81.491 94.0243 -176.842 -113.296 185.274 97.3437 -224.3 8.17343 -126.938 PRESSAVG: 4516800 14.3819 13.9893 -24.5682 13.9892 -36.8467 -18.3396 -24.5682 -18.3395 -0.119176 GPRESSAVG: 4516800 13.6613 13.6333 -24.4135 15.2509 -36.0693 -18.2035 -25.1935 -18.3263 -0.415276 TIMING: 4516800 CPU: 14353.8, 0.00315247/step Wall: 14353.8, 0.00315247/step, 0.423132 hours remaining, 237.843750 MB of memory in use. ENERGY: 4516800 3970.0414 20499.7311 14438.5764 244.0106 -203793.0410 2778.0571 0.0000 0.0000 52077.3692 -109785.2552 299.2894 -161862.6244 -109423.0256 298.7203 22.5521 46.6092 760743.0018 -7.5280 -7.6078 PRESSURE: 4517000 189.009 -2.03765 -9.39272 -2.0371 274.657 -66.1467 -9.39244 -66.1468 63.6175 GPRESSURE: 4517000 207.511 -14.7043 -36.8717 48.168 267.286 -26.677 123.879 -131.904 132.137 PRESSAVG: 4517000 -29.6411 14.0742 -28.5676 14.0742 31.0975 -13.5076 -28.5677 -13.5075 7.30228 GPRESSAVG: 4517000 -29.162 13.892 -27.7298 14.3016 30.8737 -15.1717 -29.3435 -13.7525 7.13332 TIMING: 4517000 CPU: 14354.4, 0.00315649/step Wall: 14354.4, 0.00315649/step, 0.423496 hours remaining, 237.843750 MB of memory in use. ENERGY: 4517000 3966.7471 20573.7323 14536.9755 250.2828 -203561.0513 2742.9077 0.0000 0.0000 51841.5419 -109648.8641 297.9341 -161490.4060 -109291.3420 299.0265 175.7613 202.3113 762636.6570 2.9196 2.9484 PRESSURE: 4517200 125.796 92.2412 -138.626 92.2409 -231.088 85.9098 -138.626 85.9095 29.8879 GPRESSURE: 4517200 235.95 170.4 -114.438 28.3174 -254.937 83.4448 -77.406 136.651 42.3318 PRESSAVG: 4517200 42.8237 10.7703 -5.52214 10.7703 -27.9676 -2.83808 -5.52213 -2.83795 13.0802 GPRESSAVG: 4517200 43.1856 12.0393 -6.08835 9.27432 -27.5991 -1.52326 -3.78691 -2.08475 12.637 TIMING: 4517200 CPU: 14355, 0.00314664/step Wall: 14355, 0.00314664/step, 0.422 hours remaining, 237.843750 MB of memory in use. ENERGY: 4517200 3924.3466 20475.8684 14402.9011 249.2682 -203888.0555 2927.2879 0.0000 0.0000 52049.9603 -109858.4230 299.1318 -161908.3833 -109489.4834 298.7047 -25.1346 7.7816 762321.3094 9.3121 9.4078 PRESSURE: 4517400 59.1218 -235.106 188.359 -235.106 -359.397 -50.9347 188.36 -50.9337 -276.87 GPRESSURE: 4517400 93.0353 -145.716 59.1565 -221.646 -357.352 -74.4678 182.036 -44.7689 -221.622 PRESSAVG: 4517400 -6.49928 -0.884331 21.7274 -0.884299 -85.0575 0.876287 21.7274 0.876331 6.70972 GPRESSAVG: 4517400 -6.30679 0.0181392 21.6604 0.48528 -85.9366 0.303625 19.4089 3.03024 7.54994 TIMING: 4517400 CPU: 14355.7, 0.00314335/step Wall: 14355.7, 0.00314335/step, 0.421384 hours remaining, 237.843750 MB of memory in use. ENERGY: 4517400 3967.7615 20378.3938 14457.8740 237.8474 -203291.8673 2456.0565 0.0000 0.0000 52105.0984 -109688.8356 299.4487 -161793.9340 -109323.0476 298.5505 -192.3819 -161.9796 763776.4670 -28.2823 -28.2312 PRESSURE: 4517600 -83.4345 304.673 137.891 304.673 148.472 53.3693 137.891 53.3677 216.028 GPRESSURE: 4517600 -38.3642 230.578 51.6907 285.488 142.542 119.741 206.757 92.7802 291.496 PRESSAVG: 4517600 59.3913 -4.37382 -66.583 -4.37381 -47.6769 -10.9629 -66.5831 -10.9628 -4.0072 GPRESSAVG: 4517600 58.7532 -7.37441 -68.9366 -4.61032 -48.0933 -12.762 -62.8347 -12.4466 -3.19959 TIMING: 4517600 CPU: 14356.3, 0.00316374/step Wall: 14356.3, 0.00316374/step, 0.423941 hours remaining, 237.843750 MB of memory in use. ENERGY: 4517600 3908.3272 20639.2022 14472.9312 247.5844 -203781.9598 2915.8207 0.0000 0.0000 51762.2280 -109835.8661 297.4782 -161598.0941 -109460.2704 299.0025 93.6884 131.8913 761959.4222 2.5691 2.4868 PRESSURE: 4517800 103.779 36.6828 -99.2381 36.6833 -262.011 162.082 -99.2385 162.082 -27.396 GPRESSURE: 4517800 65.1139 56.2235 -51.9674 2.50166 -154.216 192.071 -199.59 35.3696 -30.2447 PRESSAVG: 4517800 54.1994 -8.24736 -45.6252 -8.24739 -17.9145 -13.0117 -45.6252 -13.0117 4.21908 GPRESSAVG: 4517800 53.5314 -8.20929 -43.894 -7.08927 -16.299 -11.3745 -50.3195 -13.3973 3.39346 TIMING: 4517800 CPU: 14356.9, 0.00314595/step Wall: 14356.9, 0.00314595/step, 0.421383 hours remaining, 237.843750 MB of memory in use. ENERGY: 4517800 3908.6732 20539.9645 14493.9567 250.4227 -203418.9196 2724.5520 0.0000 0.0000 52032.3422 -109469.0082 299.0306 -161501.3504 -109097.6552 298.8948 -61.8761 -39.7822 762938.5200 13.5013 13.5420 PRESSURE: 4518000 -160.137 8.07004 70.1118 8.07094 -387.818 96.88 70.1118 96.8802 -72.835 GPRESSURE: 4518000 -113.484 -30.4256 62.3859 -47.1809 -397.079 47.4958 -118.13 91.9481 -21.1194 PRESSAVG: 4518000 75.7424 -26.8083 -71.6137 -26.8083 -33.4569 -2.90138 -71.6137 -2.90144 1.67427 GPRESSAVG: 4518000 76.8555 -25.6631 -71.7556 -27.4221 -35.471 -4.42718 -71.2153 -2.69486 3.39916 TIMING: 4518000 CPU: 14357.6, 0.00314924/step Wall: 14357.6, 0.00314924/step, 0.421648 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4518000 3895.8528 20530.3263 14516.6111 240.6010 -203311.6476 2537.0936 0.0000 0.0000 52033.6786 -109557.4842 299.0383 -161591.1628 -109191.0785 298.8809 -206.9300 -177.2276 762690.6183 14.6533 14.9279 PRESSURE: 4518200 -1.33191 86.7038 37.374 86.7037 -488.752 -92.2441 37.3738 -92.2445 -12.1363 GPRESSURE: 4518200 -18.7474 56.9441 91.6215 71.5523 -435.016 -221.7 110.394 -78.6749 39.9413 PRESSAVG: 4518200 12.3668 -17.7244 4.019 -17.7244 -46.4272 13.4144 4.01902 13.4144 -12.3167 GPRESSAVG: 4518200 13.0488 -19.4022 3.23053 -18.6118 -44.8224 14.0553 3.89367 13.2007 -14.555 TIMING: 4518200 CPU: 14358.2, 0.00316116/step Wall: 14358.2, 0.00316116/step, 0.423069 hours remaining, 237.843750 MB of memory in use. ENERGY: 4518200 3912.5408 20654.2257 14485.8058 225.4917 -202862.1271 2183.3836 0.0000 0.0000 51832.8150 -109567.8646 297.8839 -161400.6796 -109211.3415 298.6501 -167.4069 -137.9406 761004.6014 -15.4590 -15.4429 PRESSURE: 4518400 66.649 -112.884 69.8123 -112.884 169.343 159.1 69.8122 159.099 -10.3332 GPRESSURE: 4518400 197.429 -53.5696 162.666 -137.796 125.913 122.49 235.094 148.283 -13.3767 PRESSAVG: 4518400 1.38158 -4.37974 21.4389 -4.37974 -30.7115 -1.31709 21.4389 -1.31703 -10.4765 GPRESSAVG: 4518400 2.467 -2.99109 22.1194 -5.31276 -31.5515 -0.547783 23.9115 -0.984699 -9.91152 TIMING: 4518400 CPU: 14358.8, 0.00314373/step Wall: 14358.8, 0.00314373/step, 0.420561 hours remaining, 237.843750 MB of memory in use. ENERGY: 4518400 3944.4434 20424.0008 14466.7629 254.4027 -203431.0965 2674.9465 0.0000 0.0000 52276.5531 -109389.9871 300.4341 -161666.5402 -109014.5938 299.3457 75.2196 103.3216 762775.3170 -13.2688 -12.9987 PRESSURE: 4518600 217.452 146.195 50.5399 146.195 147.705 30.0181 50.5401 30.0195 -218.191 GPRESSURE: 4518600 193.033 139.909 69.515 166.636 193.778 10.8587 117.379 -100.202 -162.73 PRESSAVG: 4518600 -45.943 9.29541 32.5137 9.29534 20.5047 14.7714 32.5136 14.7715 25.3508 GPRESSAVG: 4518600 -46.6427 9.7792 32.9526 11.0847 20.5629 13.671 32.931 13.8277 26.0982 TIMING: 4518600 CPU: 14359.5, 0.00315147/step Wall: 14359.5, 0.00315147/step, 0.421422 hours remaining, 237.843750 MB of memory in use. ENERGY: 4518600 3895.1109 20563.1892 14399.8807 259.5393 -203099.6693 2653.3104 0.0000 0.0000 52147.5553 -109181.0835 299.6927 -161328.6388 -108830.0871 299.5908 48.9887 74.6937 762746.5565 -0.0292 0.0061 PRESSURE: 4518800 -109.378 -10.1323 228.603 -10.1334 250.813 -186.841 228.603 -186.84 345.098 GPRESSURE: 4518800 -51.1636 -24.3628 188.508 70.1043 256.415 -226.626 196.357 -45.4591 368.06 PRESSAVG: 4518800 -4.55921 -0.816639 31.9895 -0.816698 -41.1131 -60.6698 31.9895 -60.6697 4.36519 GPRESSAVG: 4518800 -4.82304 -1.42363 31.0547 -1.71208 -40.3007 -59.6889 31.6883 -61.1102 4.21765 TIMING: 4518800 CPU: 14360.1, 0.00314829/step Wall: 14360.1, 0.00314829/step, 0.420821 hours remaining, 237.843750 MB of memory in use. ENERGY: 4518800 3979.9976 20566.2214 14438.7594 245.3016 -203310.2255 2712.5560 0.0000 0.0000 52119.4354 -109247.9541 299.5311 -161367.3895 -108884.8427 299.3021 162.1778 191.1039 761882.7221 -13.7690 -13.6354 PRESSURE: 4519000 -326.623 -90.0026 61.3644 -90.0024 -126.713 -65.3233 61.3647 -65.3235 52.7342 GPRESSURE: 4519000 -292.786 57.9039 18.5845 -127.45 -123.896 13.2247 129.987 -84.88 118.413 PRESSAVG: 4519000 -60.3624 11.6076 48.4004 11.6076 30.2089 -25.1809 48.4004 -25.1809 10.8401 GPRESSAVG: 4519000 -59.3029 12.3489 47.9057 11.3984 30.4621 -26.2381 46.5824 -24.8888 9.59443 TIMING: 4519000 CPU: 14360.7, 0.00312645/step Wall: 14360.7, 0.00312645/step, 0.417729 hours remaining, 237.843750 MB of memory in use. ENERGY: 4519000 3996.4870 20477.1861 14459.9540 247.3940 -203490.0851 2632.0536 0.0000 0.0000 52294.8057 -109382.2047 300.5390 -161677.0104 -109013.0512 299.6472 -133.5338 -99.4232 764112.1615 -6.4378 -6.4155 PRESSURE: 4519200 -336.424 -183.364 -7.11245 -183.363 -401.492 243.866 -7.11245 243.866 -360.696 GPRESSURE: 4519200 -268.106 -169.019 45.5187 -175.471 -310.261 337.195 -31.1377 252.427 -442 PRESSAVG: 4519200 -3.16981 -29.7633 32.0295 -29.7634 10.7713 -11.206 32.0295 -11.2059 -14.2628 GPRESSAVG: 4519200 -3.61388 -29.6846 32.0258 -28.3331 11.1086 -10.5207 32.7429 -9.21478 -14.4015 TIMING: 4519200 CPU: 14361.3, 0.00313137/step Wall: 14361.3, 0.00313137/step, 0.418212 hours remaining, 237.843750 MB of memory in use. ENERGY: 4519200 4031.5968 20531.7024 14402.4186 249.3083 -203506.7917 2673.0540 0.0000 0.0000 52101.2377 -109517.4739 299.4265 -161618.7115 -109150.2721 299.3552 -366.2042 -340.1223 763223.1485 -2.2204 -2.3023 PRESSURE: 4519400 28.4 121.07 -54.0323 121.071 119.754 -53.3007 -54.032 -53.3001 328.34 GPRESSURE: 4519400 78.6164 67.5968 -54.6388 162.137 121.924 15.6516 -106.142 -97.6515 370.79 PRESSAVG: 4519400 27.8236 -1.1951 -6.44129 -1.19507 -49.5542 -9.32615 -6.44134 -9.32613 4.12376 GPRESSAVG: 4519400 27.2133 -1.93718 -6.23384 -2.72396 -50.4744 -7.2757 -9.37824 -11.0109 6.0033 TIMING: 4519400 CPU: 14362, 0.00313993/step Wall: 14362, 0.00313993/step, 0.419181 hours remaining, 237.843750 MB of memory in use. ENERGY: 4519400 4051.2137 20626.3582 14441.9579 286.5267 -203822.5126 2968.0186 0.0000 0.0000 52046.2924 -109402.1449 299.1108 -161448.4374 -109047.7762 299.5657 158.8316 190.4437 761504.3816 -5.8690 -5.7526 PRESSURE: 4519600 -38.3849 -81.9548 -42.0855 -81.9549 -427.164 -55.0456 -42.0852 -55.0463 213.581 GPRESSURE: 4519600 -54.3844 -65.9479 -11.9186 -101.284 -377.98 29.358 -31.5174 -12.8365 245.429 PRESSAVG: 4519600 -37.8654 33.3743 28.9726 33.3742 -15.2532 0.161195 28.9727 0.161151 10.9757 GPRESSAVG: 4519600 -36.717 33.8195 28.0104 33.9029 -16.0498 -1.36674 34.2239 -0.33863 10.4424 TIMING: 4519600 CPU: 14362.6, 0.00315349/step Wall: 14362.6, 0.00315349/step, 0.420816 hours remaining, 237.843750 MB of memory in use. ENERGY: 4519600 4012.0088 20676.0926 14532.5192 258.1988 -203163.6554 2540.8782 0.0000 0.0000 51876.7777 -109267.1802 298.1366 -161143.9578 -108908.9663 299.9457 -83.9893 -62.3117 761871.6168 -14.0476 -14.1081 PRESSURE: 4519800 42.3657 -63.9665 -34.2224 -63.9659 74.8176 82.6075 -34.2235 82.6075 124.648 GPRESSURE: 4519800 77.2202 7.42313 -79.3253 -29.8543 164.966 -11.6545 -84.2971 15.4358 87.2316 PRESSAVG: 4519800 45.8589 9.21966 -31.9056 9.21971 5.0583 -38.8256 -31.9056 -38.8256 -17.7526 GPRESSAVG: 4519800 45.1196 11.8037 -32.2343 6.46327 5.47014 -39.4836 -33.5984 -38.6293 -17.2824 TIMING: 4519800 CPU: 14363.2, 0.00314531/step Wall: 14363.2, 0.00314531/step, 0.419549 hours remaining, 237.843750 MB of memory in use. ENERGY: 4519800 3970.2485 20587.2577 14513.8717 241.1974 -203668.6420 2883.7110 0.0000 0.0000 51933.8816 -109538.4742 298.4647 -161472.3558 -109179.5321 299.4864 80.6104 109.8060 760731.2329 11.0549 11.1025 PRESSURE: 4520000 77.9465 -52.8806 137.444 -52.8802 -197.921 211.218 137.444 211.218 174.128 GPRESSURE: 4520000 136.652 -46.5577 158.554 -27.789 -133.26 231.952 209.096 177.855 125.958 PRESSAVG: 4520000 79.9584 -45.0283 -13.9458 -45.0282 -51.8834 -17.5218 -13.9457 -17.5218 7.85339 GPRESSAVG: 4520000 79.8265 -46.3704 -11.6603 -41.4817 -51.3371 -16.846 -15.2891 -17.5295 7.5998 TIMING: 4520000 CPU: 14363.9, 0.0031721/step Wall: 14363.9, 0.0031721/step, 0.422946 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4520000 3993.9998 20641.8459 14455.8336 250.9466 -203618.2966 2674.6998 0.0000 0.0000 52016.1614 -109584.8095 298.9376 -161600.9709 -109225.2701 299.1642 18.0512 43.1169 762294.4694 11.9761 12.0297 PRESSURE: 4520200 256.119 -99.4441 184.937 -99.4434 391.879 -74.1323 184.937 -74.1324 481.947 GPRESSURE: 4520200 340.976 -175.967 240.358 -216.071 334.988 -87.1358 67.5078 -34.6305 531.715 PRESSAVG: 4520200 94.4148 -7.08478 -7.35703 -7.08475 -84.8762 30.2416 -7.35699 30.2416 -4.84387 GPRESSAVG: 4520200 94.315 -8.7963 -6.895 -7.30501 -85.8385 30.2053 -8.42003 31.2618 -4.11148 TIMING: 4520200 CPU: 14364.5, 0.00316024/step Wall: 14364.5, 0.00316024/step, 0.421189 hours remaining, 237.843750 MB of memory in use. ENERGY: 4520200 3961.5739 20465.6658 14411.7452 259.2943 -203959.1719 3099.8547 0.0000 0.0000 52039.2824 -109721.7556 299.0705 -161761.0380 -109363.2747 299.0232 376.6482 402.5599 759374.1583 1.5649 1.4550 LDB: ============= START OF LOAD BALANCING ============== 14376.9 LDB: ============== END OF LOAD BALANCING =============== 14376.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14376.9 LDB: ============= START OF LOAD BALANCING ============== 14377.2 LDB: Largest compute 7058 load 0.036038 is 18.4% of average load 0.196046 LDB: Average compute 0.004390 is 2.2% of average load 0.196046 LDB: TIME 14377.2 LOAD: AVG 0.196046 MAX 0.216716 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.953 MB LDB: TIME 14377.2 LOAD: AVG 0.196046 MAX 0.216716 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.992 MB LDB: TIME 14377.2 LOAD: AVG 0.196046 MAX 0.216716 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.992 MB LDB: ============== END OF LOAD BALANCING =============== 14377.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14377.2 PRESSURE: 4520400 -231.275 293.896 49.3186 293.895 -95.1036 32.7189 49.3179 32.7188 -445.804 GPRESSURE: 4520400 -127.33 223.628 -48.2227 236.337 -126.001 -61.8136 8.95811 -106.13 -433.782 PRESSAVG: 4520400 45.0784 -55.9166 -58.5487 -55.9165 -65.9016 29.7321 -58.5487 29.7321 -7.63685 GPRESSAVG: 4520400 46.1893 -55.324 -59.2761 -55.3951 -65.2748 29.9975 -56.2823 27.6467 -9.54661 TIMING: 4520400 CPU: 14365.1, 0.00322776/step Wall: 14365.1, 0.00322776/step, 0.430009 hours remaining, 239.695312 MB of memory in use. ENERGY: 4520400 3986.9754 20398.3587 14421.2096 269.6817 -203467.3907 2674.2591 0.0000 0.0000 52045.4829 -109671.4233 299.1061 -161716.9062 -109316.7648 298.6291 -257.3942 -229.0375 761570.5791 -9.4867 -9.5441 PRESSURE: 4520600 -29.3147 -244.515 -68.8989 -244.514 40.506 -236.097 -68.8994 -236.097 -135.311 GPRESSURE: 4520600 5.11647 -328.521 -48.7669 -203.789 45.1932 -213.236 26.2146 -214.544 -77.6546 PRESSAVG: 4520600 13.0619 17.5224 -65.2789 17.5224 4.12533 -21.7973 -65.2789 -21.7973 14.4183 GPRESSAVG: 4520600 12.7403 17.4896 -64.5576 18.0026 4.73704 -21.6546 -64.8101 -20.927 13.8119 TIMING: 4520600 CPU: 14365.8, 0.00315387/step Wall: 14365.8, 0.00315387/step, 0.419991 hours remaining, 239.898438 MB of memory in use. ENERGY: 4520600 4015.1493 20451.1884 14425.6893 254.3191 -203351.9811 2432.1238 0.0000 0.0000 52007.1825 -109766.3288 298.8860 -161773.5113 -109410.4274 298.8349 -41.3732 -9.1150 761520.5760 10.5352 10.4297 PRESSURE: 4520800 152.854 52.5889 -167.722 52.5885 -256.761 -155.41 -167.721 -155.409 -287.937 GPRESSURE: 4520800 224.409 98.7426 -119.221 93.2411 -226.478 -102.066 -202.13 -153.387 -295.167 PRESSAVG: 4520800 78.5945 -46.8528 -17.0119 -46.8529 -2.50483 -11.6992 -17.0119 -11.6992 5.93476 GPRESSAVG: 4520800 78.475 -46.9942 -17.8826 -48.5154 -2.92594 -11.7494 -17.6121 -9.48111 7.11765 TIMING: 4520800 CPU: 14366.4, 0.00324176/step Wall: 14366.4, 0.00324176/step, 0.431515 hours remaining, 239.898438 MB of memory in use. ENERGY: 4520800 4017.2177 20367.1944 14489.1595 248.7340 -204047.1785 2755.7956 0.0000 0.0000 52260.5847 -109908.4926 300.3423 -162169.0773 -109544.4554 298.4095 -130.6147 -99.0786 761083.5198 27.3415 27.5556 PRESSURE: 4521000 -243.072 259.051 59.5929 259.052 -20.5103 -40.679 59.5921 -40.6796 -90.0525 GPRESSURE: 4521000 -106.756 173.153 78.6038 256.587 -45.6115 -49.8383 -32.4421 -0.601846 -108.931 PRESSAVG: 4521000 42.2279 -12.1458 -26.5262 -12.1458 -45.0059 18.612 -26.5263 18.612 -7.89343 GPRESSAVG: 4521000 42.3554 -10.7739 -25.0931 -11.3609 -44.7319 18.2903 -26.8192 18.1071 -7.84688 TIMING: 4521000 CPU: 14367, 0.0031598/step Wall: 14367, 0.00315979/step, 0.420428 hours remaining, 239.898438 MB of memory in use. ENERGY: 4521000 3936.9853 20425.6400 14563.5076 243.8080 -203306.0820 2343.6795 0.0000 0.0000 51748.2069 -110044.2548 297.3977 -161792.4617 -109687.9350 298.3326 -117.8782 -87.0994 760401.0904 -3.5571 -3.4078 PRESSURE: 4521200 -125.39 -0.880802 136.255 -0.88092 -173.757 -82.5556 136.256 -82.5556 -347.89 GPRESSURE: 4521200 -19.0932 -140.452 135.349 -59.7351 -193.952 -130.513 194.579 -7.29123 -356.742 PRESSAVG: 4521200 43.1643 33.3487 -14.2761 33.3487 -63.7294 38.5354 -14.2761 38.5354 -21.8384 GPRESSAVG: 4521200 43.5294 32.1521 -14.1546 34.7994 -63.857 38.0928 -15.3385 38.1342 -21.7687 TIMING: 4521200 CPU: 14367.7, 0.00314242/step Wall: 14367.7, 0.00314242/step, 0.417942 hours remaining, 239.898438 MB of memory in use. ENERGY: 4521200 4012.1207 20567.0789 14542.3135 256.8161 -203778.4464 2559.7004 0.0000 0.0000 52063.6008 -109776.8159 299.2102 -161840.4167 -109420.1064 298.4855 -215.6791 -189.9291 762860.9100 -14.1345 -14.0321 PRESSURE: 4521400 260.514 -216.643 -68.8965 -216.641 -0.349788 285.591 -68.8967 285.591 23.9597 GPRESSURE: 4521400 303.272 -87.2225 24.2643 -168.511 67.3178 409.31 -112.475 369.914 -3.40308 PRESSAVG: 4521400 79.5544 -23.6907 9.91823 -23.6908 -36.8413 25.5062 9.91823 25.5062 11.9293 GPRESSAVG: 4521400 78.1825 -22.5292 9.47161 -26.4457 -35.497 26.3578 10.5429 23.0982 11.8 TIMING: 4521400 CPU: 14368.3, 0.00314651/step Wall: 14368.3, 0.00314651/step, 0.418312 hours remaining, 239.898438 MB of memory in use. ENERGY: 4521400 4010.3718 20535.8411 14559.9713 276.2888 -204101.1141 2939.7276 0.0000 0.0000 51984.0404 -109794.8732 298.7530 -161778.9135 -109432.8859 298.6187 94.7079 122.3955 760131.3902 18.2141 18.1618 PRESSURE: 4521600 -41.8967 -85.5374 -210.543 -85.5373 -165.263 165.642 -210.542 165.642 31.574 GPRESSURE: 4521600 24.24 29.64 -214.897 48.2516 -76.1332 118.362 -197.478 239.948 -38.9108 PRESSAVG: 4521600 49.9711 -10.7897 -84.0367 -10.7897 -19.128 39.5369 -84.0367 39.5369 28.4158 GPRESSAVG: 4521600 50.0118 -10.0264 -84.9527 -9.04882 -19.1331 39.7421 -84.1337 42.4685 28.7952 TIMING: 4521600 CPU: 14368.9, 0.00315868/step Wall: 14368.9, 0.00315868/step, 0.419753 hours remaining, 239.898438 MB of memory in use. ENERGY: 4521600 3960.8172 20446.2229 14486.9641 257.1744 -203120.4002 2531.0008 0.0000 0.0000 51835.5418 -109602.6790 297.8996 -161438.2208 -109234.1555 298.6275 -58.5284 -30.2680 760769.8639 19.7530 19.8913 PRESSURE: 4521800 164.114 19.9376 -416.466 19.9374 191.562 24.9572 -416.465 24.9568 -354.284 GPRESSURE: 4521800 179.683 -29.3346 -381.389 -116.167 308.144 -47.2084 -368.379 15.9176 -372.989 PRESSAVG: 4521800 48.8577 -60.4755 -59.4689 -60.4755 -83.2901 -32.6393 -59.469 -32.6393 14.8162 GPRESSAVG: 4521800 49.0457 -60.5028 -60.0056 -62.6465 -83.1305 -32.3159 -59.0411 -35.049 14.4533 TIMING: 4521800 CPU: 14369.6, 0.00316102/step Wall: 14369.6, 0.00316102/step, 0.419889 hours remaining, 239.898438 MB of memory in use. ENERGY: 4521800 3998.4542 20686.7780 14502.8004 231.0529 -203682.7153 2702.2671 0.0000 0.0000 52116.2543 -109445.1083 299.5128 -161561.3627 -109084.4367 299.2109 0.4640 38.2792 759788.4753 -6.5387 -6.5438 PRESSURE: 4522000 172.698 -225.507 -260.328 -225.508 310.794 308.246 -260.328 308.245 253.173 GPRESSURE: 4522000 199.65 -149.047 -235.005 -109.216 355.3 278.509 -201.442 166.023 255.903 PRESSAVG: 4522000 39.4282 -36.4688 -30.8517 -36.4689 -8.04893 31.4938 -30.8517 31.4937 15.5263 GPRESSAVG: 4522000 40.9985 -37.2426 -30.2635 -33.7755 -7.9025 31.8143 -30.5207 31.7393 14.2239 TIMING: 4522000 CPU: 14370.2, 0.00315637/step Wall: 14370.2, 0.00315637/step, 0.419096 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4522000 3925.8376 20606.5933 14479.7566 259.2806 -203534.7809 2848.1001 0.0000 0.0000 51965.4714 -109449.7413 298.6463 -161415.2127 -109095.4379 299.3629 245.5550 270.2846 760681.5299 15.6352 15.7733 PRESSURE: 4522200 66.9733 38.8184 -167.686 38.818 459.386 -153.541 -167.686 -153.541 170.647 GPRESSURE: 4522200 86.7833 71.2674 -98.4493 -14.0445 483.028 -90.955 -224.834 -162.38 206.382 PRESSAVG: 4522200 14.0748 5.14437 -41.366 5.14438 14.1243 -27.3657 -41.3661 -27.3656 1.38254 GPRESSAVG: 4522200 13.5658 7.1159 -41.0962 3.29024 13.3704 -29.0241 -42.5377 -24.9827 2.43003 TIMING: 4522200 CPU: 14370.8, 0.00313899/step Wall: 14370.8, 0.003139/step, 0.416614 hours remaining, 239.898438 MB of memory in use. ENERGY: 4522200 4010.6469 20616.7150 14466.0644 242.7724 -203621.8219 2641.3212 0.0000 0.0000 52257.1422 -109387.1597 300.3225 -161644.3019 -109022.3565 299.6050 232.3356 258.7311 761818.6240 9.8605 9.7887 PRESSURE: 4522400 22.7492 43.1597 65.4904 43.1601 -104.238 -323.938 65.4904 -323.939 -137.649 GPRESSURE: 4522400 -4.48541 -49.3012 36.7134 65.0007 -28.6317 -322.131 93.5663 -217.739 -96.4162 PRESSAVG: 4522400 36.177 -4.4542 -25.1441 -4.45417 -53.4693 -46.3368 -25.1441 -46.3368 15.7949 GPRESSAVG: 4522400 35.3981 -5.88277 -25.4552 -4.14448 -51.5327 -44.9983 -24.7838 -48.1864 14.7748 TIMING: 4522400 CPU: 14371.5, 0.00314766/step Wall: 14371.5, 0.00314766/step, 0.41759 hours remaining, 239.898438 MB of memory in use. ENERGY: 4522400 4007.6736 20488.8371 14421.0537 262.1366 -203445.0989 2575.8757 0.0000 0.0000 52187.5905 -109501.9318 299.9228 -161689.5223 -109134.9095 299.6874 -73.0459 -43.1778 761537.2846 -0.4991 -0.4532 PRESSURE: 4522600 -149.78 193.684 -96.2194 193.684 79.877 -97.7112 -96.2197 -97.7123 -34.2348 GPRESSURE: 4522600 -110.329 167.118 -87.1293 135.259 154.695 -155.421 -58.594 -95.5632 -59.2765 PRESSAVG: 4522600 37.915 -17.0874 -0.305242 -17.0874 -53.8431 7.10421 -0.305289 7.1042 4.20668 GPRESSAVG: 4522600 38.3474 -20.1069 0.593426 -15.8918 -55.6297 6.86876 -1.69735 6.60796 5.20118 TIMING: 4522600 CPU: 14372.1, 0.003159/step Wall: 14372.1, 0.003159/step, 0.418919 hours remaining, 239.898438 MB of memory in use. ENERGY: 4522600 3951.1249 20677.0016 14337.9674 274.1420 -203376.8443 2590.2880 0.0000 0.0000 52114.8191 -109431.5014 299.5046 -161546.3205 -109064.9214 299.4083 -34.7126 -4.9703 761314.1615 -3.9071 -4.0271 PRESSURE: 4522800 159.949 -122.633 50.8459 -122.633 -186.815 -6.48441 50.846 -6.48388 -121.819 GPRESSURE: 4522800 197.636 -112.433 27.4807 -147.494 -196.353 -12.7262 6.35747 94.1007 -100.913 PRESSAVG: 4522800 52.9299 15.1732 -21.7377 15.1732 -70.0652 24.1159 -21.7377 24.1159 -1.91782 GPRESSAVG: 4522800 54.2273 17.3522 -22.6402 14.348 -70.7636 24.7882 -20.7193 24.2899 -2.12727 TIMING: 4522800 CPU: 14372.7, 0.00315003/step Wall: 14372.7, 0.00315003/step, 0.417554 hours remaining, 239.898438 MB of memory in use. ENERGY: 4522800 3987.6745 20450.8940 14486.6970 260.7866 -203448.9023 2598.8750 0.0000 0.0000 52209.7697 -109454.2056 300.0503 -161663.9752 -109083.6165 299.3984 -49.5620 -33.2100 762050.4270 -6.3510 -6.2212 PRESSURE: 4523000 83.9706 -9.20223 83.3772 -9.20245 60.5537 27.6228 83.3763 27.6223 300.045 GPRESSURE: 4523000 49.0273 -51.1524 107.177 -74.5525 161.756 58.625 157.604 -231.498 331.237 PRESSAVG: 4523000 53.1873 -20.8949 -51.6316 -20.8949 -28.9636 10.6246 -51.6316 10.6246 -11.8044 GPRESSAVG: 4523000 51.6287 -20.4759 -51.6714 -19.1296 -27.898 10.1433 -50.3484 9.7211 -10.8694 TIMING: 4523000 CPU: 14373.4, 0.00316222/step Wall: 14373.4, 0.00316222/step, 0.418994 hours remaining, 239.898438 MB of memory in use. ENERGY: 4523000 4009.6451 20611.9294 14413.7118 223.0460 -204085.7530 3241.7931 0.0000 0.0000 51978.5186 -109607.1090 298.7213 -161585.6276 -109251.7231 299.3890 148.1898 180.6733 760956.3838 4.1397 4.2871 PRESSURE: 4523200 63.2461 -49.9069 -276.539 -49.9077 285.309 -451.237 -276.539 -451.237 148.724 GPRESSURE: 4523200 72.2725 17.1393 -207.483 -129.504 304.568 -388.495 -278.374 -429.778 186.286 PRESSAVG: 4523200 15.6374 -12.8426 -1.01592 -12.8425 8.262 -43.3457 -1.01585 -43.3457 -17.4622 GPRESSAVG: 4523200 15.5123 -11.3323 -1.37578 -16.6604 8.44446 -42.7932 -0.8873 -42.7473 -17.474 TIMING: 4523200 CPU: 14374, 0.00315332/step Wall: 14374, 0.00315332/step, 0.41764 hours remaining, 239.898438 MB of memory in use. ENERGY: 4523200 4037.8939 20624.7964 14446.6972 237.7102 -203926.8656 2876.5550 0.0000 0.0000 52194.3323 -109508.8806 299.9615 -161703.2129 -109148.9514 299.4195 165.7597 187.7089 760138.5572 2.1457 2.1609 PRESSURE: 4523400 -95.9785 85.285 108.253 85.2848 -130.608 158.761 108.252 158.761 -27.2016 GPRESSURE: 4523400 49.5674 151.248 63.2133 114.705 -213.181 112.304 92.1927 187.407 -11.8755 PRESSAVG: 4523400 26.1369 -16.4829 -18.5934 -16.4829 -40.0819 -11.7904 -18.5934 -11.7904 16.9479 GPRESSAVG: 4523400 28.9211 -18.9995 -17.6842 -12.275 -42.0395 -11.6586 -21.1175 -11.1536 15.9091 TIMING: 4523400 CPU: 14374.6, 0.00316171/step Wall: 14374.6, 0.00316171/step, 0.418576 hours remaining, 239.898438 MB of memory in use. ENERGY: 4523400 4025.2507 20509.5560 14480.4671 232.7996 -203452.9785 2510.8690 0.0000 0.0000 52075.5514 -109618.4848 299.2789 -161694.0362 -109259.8512 299.2903 -84.5960 -58.4963 762870.8160 1.0010 0.9302 PRESSURE: 4523600 91.1331 -234.696 -49.397 -234.695 -41.1872 107.832 -49.3967 107.832 -85.4684 GPRESSURE: 4523600 92.1696 -305.929 -47.1742 -302.231 22.5922 63.5787 -107.862 -43.5769 -67.5683 PRESSAVG: 4523600 54.9423 -21.0191 -2.42952 -21.0191 -57.9197 32.6296 -2.42949 32.6296 -14.9396 GPRESSAVG: 4523600 52.4912 -19.2306 -2.64604 -21.2977 -56.8442 31.3986 -0.0506689 30.0381 -14.0744 TIMING: 4523600 CPU: 14375.2, 0.00315808/step Wall: 14375.2, 0.00315808/step, 0.417919 hours remaining, 239.898438 MB of memory in use. ENERGY: 4523600 3993.8855 20437.9850 14468.0700 231.1889 -203826.4796 2785.3932 0.0000 0.0000 52082.9870 -109826.9700 299.3216 -161909.9571 -109459.4547 298.8569 -11.8408 15.7312 761208.8453 -5.9723 -6.1425 PRESSURE: 4523800 251.159 67.2509 -103.349 67.2519 -115.896 -33.301 -103.349 -33.3008 214.305 GPRESSURE: 4523800 197.313 20.9497 -96.3411 -73.7068 -51.4829 27.2967 -15.8155 28.1941 279.828 PRESSAVG: 4523800 59.3969 -15.8414 -25.5452 -15.8414 -80.8603 -29.168 -25.5451 -29.1681 14.4304 GPRESSAVG: 4523800 59.823 -17.2188 -24.9311 -16.2057 -80.2762 -28.7115 -26.6262 -27.4082 13.4455 TIMING: 4523800 CPU: 14375.9, 0.00317036/step Wall: 14375.9, 0.00317036/step, 0.419368 hours remaining, 239.898438 MB of memory in use. ENERGY: 4523800 3969.6977 20607.2709 14420.4536 233.1743 -203831.9302 2849.6086 0.0000 0.0000 52159.0788 -109592.6463 299.7589 -161751.7251 -109231.5860 299.0952 116.5226 141.8858 760250.4821 -2.3443 -2.3359 PRESSURE: 4524000 -295.666 128.018 111.06 128.018 -84.3645 -182.229 111.059 -182.229 166.804 GPRESSURE: 4524000 -309.982 71.8556 42.3315 226.77 26.14 -159.524 183.956 -169.828 153.642 PRESSAVG: 4524000 100.815 -10.6903 -21.2163 -10.6903 -62.4265 -23.0237 -21.2163 -23.0237 2.97909 GPRESSAVG: 4524000 100.582 -11.2351 -22.0669 -9.35289 -62.7296 -23.4201 -20.6515 -21.4157 2.78937 TIMING: 4524000 CPU: 14376.5, 0.00315132/step Wall: 14376.5, 0.00315132/step, 0.416675 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4524000 3993.5431 20323.5056 14530.4145 234.1393 -203471.2453 2422.5626 0.0000 0.0000 52519.8895 -109447.1905 301.8325 -161967.0800 -109069.6320 299.6429 -71.0756 -43.3998 760662.1662 13.7893 13.5471 PRESSURE: 4524200 -39.9869 -172.945 -129.465 -172.943 -66.4336 -26.8016 -129.464 -26.8014 -226.521 GPRESSURE: 4524200 8.84539 -86.058 -83.8098 -77.8617 -23.9481 -44.7239 -126.961 -66.5179 -225.486 PRESSAVG: 4524200 14.6695 8.63827 -33.2714 8.63832 -36.4332 26.4535 -33.2714 26.4535 -5.50565 GPRESSAVG: 4524200 15.1181 10.1359 -31.9811 7.03749 -37.8053 25.8054 -34.3041 24.8131 -4.83804 TIMING: 4524200 CPU: 14377.1, 0.00316272/step Wall: 14377.1, 0.00316272/step, 0.418006 hours remaining, 239.898438 MB of memory in use. ENERGY: 4524200 3980.7421 20539.5330 14446.4834 268.6966 -203197.4967 2530.9622 0.0000 0.0000 52040.3590 -109390.7204 299.0767 -161431.0795 -109040.3522 299.6342 -110.9806 -80.1963 761868.4456 -9.0898 -9.1751 LDB: ============= START OF LOAD BALANCING ============== 14389.5 LDB: ============== END OF LOAD BALANCING =============== 14389.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14389.5 LDB: ============= START OF LOAD BALANCING ============== 14389.9 LDB: Largest compute 7076 load 0.035936 is 18.3% of average load 0.196082 LDB: Average compute 0.004379 is 2.2% of average load 0.196082 LDB: TIME 14389.9 LOAD: AVG 0.196082 MAX 0.220029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 14389.9 LOAD: AVG 0.196082 MAX 0.220029 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.996 MB LDB: TIME 14389.9 LOAD: AVG 0.196082 MAX 0.218954 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.996 MB LDB: ============== END OF LOAD BALANCING =============== 14389.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14389.9 PRESSURE: 4524400 -18.4968 198.093 -195.18 198.093 -0.188502 202.156 -195.18 202.156 -408.489 GPRESSURE: 4524400 32.3634 115.977 -184.597 107.278 34.0989 167.036 -235.185 211.285 -406.661 PRESSAVG: 4524400 23.2311 -6.01366 -25.8387 -6.01371 -26.74 48.1104 -25.8387 48.1103 2.50195 GPRESSAVG: 4524400 22.2989 -5.23377 -27.4849 -6.22621 -25.1801 47.915 -24.9988 48.5678 1.36634 TIMING: 4524400 CPU: 14377.8, 0.0032385/step Wall: 14377.8, 0.0032385/step, 0.427841 hours remaining, 237.437500 MB of memory in use. ENERGY: 4524400 3984.0576 20407.2444 14394.3655 252.9321 -202904.6191 2358.8135 0.0000 0.0000 52051.4395 -109455.7665 299.1403 -161507.2060 -109100.4866 299.3061 -142.3913 -113.3997 761662.6682 -0.3357 -0.5049 PRESSURE: 4524600 135.933 -66.0903 -2.82408 -66.0912 -22.8339 -86.5079 -2.82511 -86.5089 342.768 GPRESSURE: 4524600 107.753 -101.73 15.9202 42.2718 66.7043 -173.853 51.6667 56.8935 344.743 PRESSAVG: 4524600 52.3849 -40.2316 -11.3382 -40.2315 -40.5757 15.8445 -11.3383 15.8445 -6.24392 GPRESSAVG: 4524600 51.9799 -43.3069 -11.0196 -38.9876 -41.0358 15.1621 -10.9518 16.9953 -4.64308 TIMING: 4524600 CPU: 14378.4, 0.00319286/step Wall: 14378.4, 0.00319286/step, 0.421635 hours remaining, 237.437500 MB of memory in use. ENERGY: 4524600 3867.2058 20528.3155 14396.2329 242.8503 -203267.0073 2677.8616 0.0000 0.0000 51912.6941 -109641.8470 298.3430 -161554.5411 -109270.3106 299.1952 151.9558 173.0669 761498.2653 1.8551 2.1004 PRESSURE: 4524800 29.1201 49.6085 126.032 49.6081 -547.916 -128.088 126.031 -128.087 262.892 GPRESSURE: 4524800 80.9909 -9.30938 -9.76195 -53.9644 -469.883 -131.824 100.269 -63.6155 224.011 PRESSAVG: 4524800 62.0815 -44.1766 -3.23344 -44.1766 -31.4969 -16.5297 -3.23344 -16.5297 -10.0853 GPRESSAVG: 4524800 62.181 -42.8742 -3.17132 -44.9711 -31.4264 -17.1322 -2.44045 -18.1588 -10.1688 TIMING: 4524800 CPU: 14379.1, 0.00317352/step Wall: 14379.1, 0.00317352/step, 0.418905 hours remaining, 237.437500 MB of memory in use. ENERGY: 4524800 4043.2083 20532.8020 14439.4439 232.3150 -203093.2970 2133.9267 0.0000 0.0000 52125.4431 -109586.1579 299.5656 -161711.6011 -109228.1731 299.0920 -85.3014 -54.9604 760706.9964 6.8331 6.8619 PRESSURE: 4525000 -81.6262 92.2405 -18.2688 92.2403 50.0582 -2.57943 -18.2697 -2.57888 72.7837 GPRESSURE: 4525000 -54.1171 95.0044 -53.3853 124.484 29.8285 -5.39513 -116.277 -29.7223 157.38 PRESSAVG: 4525000 26.1616 -37.5026 25.6574 -37.5026 -43.8154 -18.7433 25.6574 -18.7433 6.29826 GPRESSAVG: 4525000 27.341 -37.3938 25.0706 -37.1364 -45.135 -18.1716 23.2339 -18.9732 6.39017 TIMING: 4525000 CPU: 14379.7, 0.00315743/step Wall: 14379.7, 0.00315742/step, 0.416605 hours remaining, 237.437500 MB of memory in use. ENERGY: 4525000 4008.1510 20494.7593 14398.0022 265.9703 -203293.6514 2883.4567 0.0000 0.0000 51811.1511 -109432.1608 297.7594 -161243.3118 -109081.1593 299.0758 13.7386 44.3637 762629.3195 -3.7852 -3.8013 PRESSURE: 4525200 -241.654 -156.963 -39.809 -156.963 -111.323 -63.9962 -39.8089 -63.9963 -104.727 GPRESSURE: 4525200 -159.277 -193.353 -102.235 -72.9074 -85.8187 -200.822 -56.7493 67.9842 -125.332 PRESSAVG: 4525200 -7.76202 -7.36143 -45.4724 -7.36146 -7.32694 17.3762 -45.4723 17.3762 -10.5713 GPRESSAVG: 4525200 -9.04379 -6.73121 -44.4199 -6.47295 -5.71072 16.8537 -42.1278 17.8396 -10.6214 TIMING: 4525200 CPU: 14380.3, 0.00317003/step Wall: 14380.3, 0.00317003/step, 0.418092 hours remaining, 237.437500 MB of memory in use. ENERGY: 4525200 4062.4321 20457.1742 14471.0423 244.3448 -203537.1115 2858.4709 0.0000 0.0000 52113.7816 -109329.8656 299.4986 -161443.6473 -108986.2427 299.5629 -152.5681 -123.4757 762543.2948 -8.5534 -8.4587 PRESSURE: 4525400 58.6567 43.3468 20.1953 43.3482 37.3129 130.498 20.1956 130.498 387.68 GPRESSURE: 4525400 129.994 43.7515 55.5612 -80.1766 104.21 204.64 76.3598 20.9406 335.601 PRESSAVG: 4525400 -8.10104 -35.6954 -53.1516 -35.6954 23.8454 3.33414 -53.1515 3.33405 -15.2057 GPRESSAVG: 4525400 -7.74484 -34.3751 -53.1981 -37.0792 23.3292 4.70182 -56.3581 2.73401 -15.0674 TIMING: 4525400 CPU: 14381, 0.00313598/step Wall: 14381, 0.00313598/step, 0.413426 hours remaining, 237.437500 MB of memory in use. ENERGY: 4525400 3930.3732 20538.4066 14531.3050 235.2934 -202983.4260 2353.9309 0.0000 0.0000 52164.5924 -109229.5245 299.7906 -161394.1169 -108856.9261 299.8208 161.2164 189.9350 761815.7090 0.1795 0.1723 PRESSURE: 4525600 38.6299 -77.8334 -241.849 -77.8327 -133.512 63.7522 -241.849 63.7525 35.6985 GPRESSURE: 4525600 44.9691 -41.099 -270.629 -106.288 -71.1235 119.039 -185.014 138.781 60.3232 PRESSAVG: 4525600 -17.4647 -70.8242 -20.6608 -70.8242 14.7207 51.3555 -20.6609 51.3554 12.9595 GPRESSAVG: 4525600 -16.7728 -72.7551 -21.5968 -71.3303 13.4867 50.6513 -18.3238 52.2089 13.4847 TIMING: 4525600 CPU: 14381.6, 0.00314846/step Wall: 14381.6, 0.00314846/step, 0.414897 hours remaining, 237.437500 MB of memory in use. ENERGY: 4525600 3947.2211 20431.6249 14527.9062 218.1948 -203312.7327 2541.5606 0.0000 0.0000 52419.5211 -109226.7040 301.2557 -161646.2251 -108863.4812 300.3762 -19.7280 11.3896 762716.7009 3.4052 3.3995 PRESSURE: 4525800 -123.168 45.3028 117.07 45.3023 104.128 -141.762 117.069 -141.762 300.225 GPRESSURE: 4525800 -45.5025 39.9596 125.882 69.3953 58.4098 -151.124 124.038 -63.1752 353.775 PRESSAVG: 4525800 -63.6052 -70.9127 7.28862 -70.9127 45.9761 -16.3717 7.28865 -16.3716 -26.9659 GPRESSAVG: 4525800 -64.6323 -71.6644 7.33043 -69.8397 46.8561 -14.5719 6.35551 -16.9876 -26.9148 TIMING: 4525800 CPU: 14382.2, 0.00316802/step Wall: 14382.2, 0.00316801/step, 0.417298 hours remaining, 237.437500 MB of memory in use. ENERGY: 4525800 3975.8431 20501.9514 14537.1542 256.1165 -203262.3184 2545.0266 0.0000 0.0000 51982.5202 -109463.7064 298.7443 -161446.2266 -109114.9619 299.6789 93.7283 122.2274 761341.7339 -14.8650 -14.8970 PRESSURE: 4526000 -120.226 -101.089 -7.75323 -101.089 193.993 -10.2973 -7.75352 -10.2974 -128.456 GPRESSURE: 4526000 -70.9985 -187.076 -20.64 -11.7305 257.334 -92.9169 -103.322 50.4905 -141.342 PRESSAVG: 4526000 -7.5196 -36.9364 -3.75519 -36.9364 30.606 -41.6948 -3.7552 -41.6948 -19.6494 GPRESSAVG: 4526000 -6.38797 -36.7794 -3.29969 -36.6379 29.9623 -43.1132 -2.77109 -40.109 -20.2103 TIMING: 4526000 CPU: 14382.9, 0.00317563/step Wall: 14382.9, 0.00317564/step, 0.418125 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4526000 3980.8082 20429.7565 14456.2111 243.3574 -203401.7562 2666.4256 0.0000 0.0000 51977.3637 -109647.8337 298.7146 -161625.1975 -109283.4611 299.1472 -18.2298 14.9980 761326.1446 1.1457 1.1213 PRESSURE: 4526200 107.571 -217.439 7.6886 -217.44 40.079 98.3521 7.68884 98.3518 -281.991 GPRESSURE: 4526200 197.036 -155.879 -80.8157 -209.037 6.2428 103.157 -13.4253 8.24013 -257.144 PRESSAVG: 4526200 11.6754 -41.6219 -24.4883 -41.6219 -4.16388 -6.28684 -24.4883 -6.28688 -7.60178 GPRESSAVG: 4526200 10.1184 -39.7186 -23.8853 -40.4808 -3.45236 -4.75447 -25.2461 -9.57546 -7.2176 TIMING: 4526200 CPU: 14383.5, 0.0031591/step Wall: 14383.5, 0.0031591/step, 0.415773 hours remaining, 237.437500 MB of memory in use. ENERGY: 4526200 3949.5441 20452.8969 14487.9506 227.4089 -203415.4330 2589.1735 0.0000 0.0000 52175.0390 -109533.4199 299.8507 -161708.4589 -109162.9112 298.7894 -44.7802 -17.9551 761608.4004 -0.0301 -0.1838 PRESSURE: 4526400 39.4774 -80.9571 -194.193 -80.9565 118.821 -104.868 -194.194 -104.868 -132.882 GPRESSURE: 4526400 6.16914 15.4239 -314.775 -21.5971 90.3345 -104.324 -47.2176 -54.4305 24.1259 PRESSAVG: 4526400 36.3066 -58.7623 -14.3128 -58.7623 -5.57513 -40.6971 -14.3127 -40.6971 -8.60898 GPRESSAVG: 4526400 36.8365 -60.1773 -13.5629 -57.9602 -7.22765 -42.3959 -12.9348 -38.2838 -7.79514 TIMING: 4526400 CPU: 14384.1, 0.00314854/step Wall: 14384.1, 0.00314854/step, 0.414208 hours remaining, 237.437500 MB of memory in use. ENERGY: 4526400 3944.8317 20434.6573 14442.4137 273.6180 -203246.0121 2619.3041 0.0000 0.0000 52083.8321 -109447.3553 299.3265 -161531.1874 -109085.0488 299.2490 8.4722 40.2098 762764.9752 7.3741 7.2712 PRESSURE: 4526600 -52.7608 176.719 92.4943 176.719 -323.129 223.333 92.4942 223.334 -42.8786 GPRESSURE: 4526600 7.94703 97.9296 57.0285 86.0438 -273.796 185.222 55.9172 282.56 -62.6686 PRESSAVG: 4526600 23.0695 -14.6171 19.4618 -14.617 -2.03353 -8.25382 19.4618 -8.25378 4.43724 GPRESSAVG: 4526600 23.632 -13.9931 19.9502 -18.1612 -1.0805 -7.71525 16.1604 -9.15036 3.36875 TIMING: 4526600 CPU: 14384.7, 0.00315115/step Wall: 14384.7, 0.00315115/step, 0.414376 hours remaining, 237.437500 MB of memory in use. ENERGY: 4526600 3888.7134 20310.7467 14460.7234 249.7286 -203208.5406 2485.0247 0.0000 0.0000 52214.4170 -109599.1868 300.0770 -161813.6038 -109222.9301 299.1237 -139.5894 -109.5059 762445.1964 8.4911 8.6401 PRESSURE: 4526800 -215.1 -281.097 -121.334 -281.097 -60.2449 103.026 -121.335 103.026 137.802 GPRESSURE: 4526800 -189.501 -194.81 -170.188 -304.008 71.3798 120.872 -91.4635 -23.2436 56.2822 PRESSAVG: 4526800 -2.46471 -84.4903 -0.115793 -84.4904 -22.6146 -31.4046 -0.115786 -31.4046 29.9623 GPRESSAVG: 4526800 -3.23268 -83.6231 -1.56451 -82.9423 -21.9827 -31.6927 0.257554 -33.7123 30.0584 TIMING: 4526800 CPU: 14385.4, 0.00314657/step Wall: 14385.4, 0.00314657/step, 0.413599 hours remaining, 237.437500 MB of memory in use. ENERGY: 4526800 3930.1960 20465.7390 14447.8516 267.6389 -203619.2003 2830.7406 0.0000 0.0000 51805.7796 -109871.2546 297.7285 -161677.0342 -109508.2901 298.8097 -45.8475 -20.6130 761355.9003 1.6277 1.6144 PRESSURE: 4527000 106.55 11.6112 -401.672 11.6119 151.819 242.686 -401.672 242.687 -256.336 GPRESSURE: 4527000 198.959 24.4541 -298.442 -5.36297 119.728 301.405 -343.179 207.319 -239.075 PRESSAVG: 4527000 31.4571 -107.172 -59.3829 -107.172 -26.5591 4.78931 -59.3829 4.78927 6.84336 GPRESSAVG: 4527000 32.7658 -108.588 -58.6421 -105.861 -26.67 5.45439 -56.7508 4.42738 5.24093 TIMING: 4527000 CPU: 14386, 0.00316628/step Wall: 14386, 0.00316628/step, 0.416015 hours remaining, 237.437500 MB of memory in use. ENERGY: 4527000 3995.1798 20399.1464 14454.2255 259.8597 -203657.5668 2779.2716 0.0000 0.0000 51935.5150 -109834.3688 298.4741 -161769.8838 -109465.9061 298.3596 0.6780 26.5372 761265.5473 3.9138 3.7789 PRESSURE: 4527200 16.8396 96.5204 -69.3683 96.5197 276.736 -54.629 -69.3682 -54.6288 -269.922 GPRESSURE: 4527200 44.1923 137.955 -64.6952 87.6305 231.102 -111.176 -22.407 138.017 -166.277 PRESSAVG: 4527200 -27.7778 -70.4831 -42.4719 -70.483 3.06605 -2.31702 -42.472 -2.31703 13.3672 GPRESSAVG: 4527200 -27.9867 -69.1001 -42.812 -72.2599 1.63934 -2.98048 -43.5573 -0.317689 15.5126 TIMING: 4527200 CPU: 14386.6, 0.0031755/step Wall: 14386.6, 0.0031755/step, 0.417049 hours remaining, 237.437500 MB of memory in use. ENERGY: 4527200 4037.5868 20547.7298 14481.5419 254.9615 -203658.8268 2763.4741 0.0000 0.0000 51929.1588 -109644.3738 298.4376 -161573.5327 -109300.7669 298.9434 7.8846 36.3391 761661.3871 -3.7815 -3.6116 PRESSURE: 4527400 -28.1408 -24.6306 41.5063 -24.6303 -40.0003 -253.049 41.5052 -253.048 -273.931 GPRESSURE: 4527400 53.9769 -31.0144 78.5773 -14.4651 -0.0995079 -251.795 -105.792 -217.382 -296.821 PRESSAVG: 4527400 13.2377 20.4675 -23.1418 20.4674 0.363548 26.3185 -23.1417 26.3185 17.8529 GPRESSAVG: 4527400 12.3668 20.9089 -24.9413 19.3417 1.95791 26.0262 -22.9294 28.0969 17.3763 TIMING: 4527400 CPU: 14387.3, 0.00317/step Wall: 14387.3, 0.00317001/step, 0.416151 hours remaining, 237.437500 MB of memory in use. ENERGY: 4527400 3997.1524 20408.7449 14440.5156 240.3925 -203461.7731 2611.7208 0.0000 0.0000 52098.8247 -109664.4222 299.4127 -161763.2469 -109306.9974 298.9487 -114.0239 -80.9811 760691.6149 10.4847 10.5670 PRESSURE: 4527600 -103.89 -15.0426 269.916 -15.0423 281.978 75.0637 269.915 75.0643 -62.0287 GPRESSURE: 4527600 -63.9759 69.8158 170.441 -134.741 282.307 114.105 210.947 28.2576 -2.61757 PRESSAVG: 4527600 27.3423 -39.0103 -28.735 -39.0103 -38.6702 -0.468366 -28.735 -0.468353 18.6049 GPRESSAVG: 4527600 28.1214 -40.6065 -27.1142 -37.3137 -39.823 -0.253626 -28.8627 -1.39835 19.2627 TIMING: 4527600 CPU: 14387.9, 0.00315385/step Wall: 14387.9, 0.00315385/step, 0.413856 hours remaining, 237.437500 MB of memory in use. ENERGY: 4527600 3903.2619 20558.5371 14446.5106 235.4931 -203139.7283 2590.4285 0.0000 0.0000 51678.9674 -109726.5298 296.9997 -161405.4971 -109356.1498 298.9441 38.6866 71.9044 762145.8517 2.4257 2.5204 PRESSURE: 4527800 -143.609 -105.957 87.998 -105.956 90.8112 -114.654 87.9979 -114.654 -386.041 GPRESSURE: 4527800 -45.1012 -191.522 103.46 -182.537 63.8972 -90.197 159.693 -72.614 -382.266 PRESSAVG: 4527800 17.0806 -87.4104 -7.32739 -87.4105 -10.6088 -42.4275 -7.32737 -42.4274 -6.12981 GPRESSAVG: 4527800 17.0433 -85.7683 -7.07356 -88.3798 -10.522 -43.2343 -6.15195 -44.3066 -6.35108 TIMING: 4527800 CPU: 14388.5, 0.00316297/step Wall: 14388.5, 0.00316297/step, 0.414876 hours remaining, 237.437500 MB of memory in use. ENERGY: 4527800 3995.1277 20389.7269 14465.0365 230.7587 -203269.1611 2445.8009 0.0000 0.0000 52252.8242 -109489.8862 300.2977 -161742.7104 -109125.4475 299.3145 -146.2794 -121.1567 760752.7787 0.1140 0.0567 PRESSURE: 4528000 -295.946 296.367 -43.9221 296.367 53.5243 -51.0309 -43.9225 -51.0307 -235.46 GPRESSURE: 4528000 -208.071 201.912 -171.732 287.119 -65.815 12.0792 12.838 -86.9847 -123.08 PRESSAVG: 4528000 4.34592 -46.1537 -53.0883 -46.1538 -10.6362 -19.2605 -53.0883 -19.2606 0.156421 GPRESSAVG: 4528000 5.00044 -48.7189 -54.0539 -45.1272 -11.102 -16.8184 -52.7985 -18.5044 -0.0620106 TIMING: 4528000 CPU: 14389.2, 0.00317859/step Wall: 14389.2, 0.00317859/step, 0.416749 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4528000 4081.4322 20514.9288 14485.6007 252.6948 -203584.5078 2593.2941 0.0000 0.0000 52228.8449 -109427.7123 300.1599 -161656.5572 -109054.3177 299.2686 -159.2941 -132.3222 761239.0272 -2.0446 -2.0545 PRESSURE: 4528200 -41.26 -37.4428 -152.862 -37.4424 -149.298 25.1464 -152.862 25.1462 -25.1587 GPRESSURE: 4528200 48.33 7.55227 -120.879 -95.0264 -78.7105 31.5755 -231.353 132.238 -81.5607 PRESSAVG: 4528200 111.762 -59.8218 -40.0131 -59.8217 -39.3578 -25.5 -40.0131 -25.5 -14.4349 GPRESSAVG: 4528200 112.991 -57.778 -38.6887 -60.6822 -40.3915 -26.7664 -41.9355 -25.5753 -14.7383 TIMING: 4528200 CPU: 14389.8, 0.00317411/step Wall: 14389.8, 0.00317411/step, 0.415984 hours remaining, 237.437500 MB of memory in use. ENERGY: 4528200 4085.0596 20586.8524 14407.9032 247.8806 -203933.3371 2908.3432 0.0000 0.0000 52333.6181 -109363.6800 300.7620 -161697.2981 -109007.3529 300.2619 -71.9054 -37.3137 760236.4604 19.3230 19.2872 LDB: ============= START OF LOAD BALANCING ============== 14402.2 LDB: ============== END OF LOAD BALANCING =============== 14402.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14402.2 LDB: ============= START OF LOAD BALANCING ============== 14402.5 LDB: Largest compute 7049 load 0.036469 is 18.6% of average load 0.196018 LDB: Average compute 0.004393 is 2.2% of average load 0.196018 LDB: TIME 14402.5 LOAD: AVG 0.196018 MAX 0.21699 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.266 MB LDB: TIME 14402.5 LOAD: AVG 0.196018 MAX 0.21699 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.332 MB LDB: TIME 14402.5 LOAD: AVG 0.196018 MAX 0.21699 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.332 MB LDB: ============== END OF LOAD BALANCING =============== 14402.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14402.5 PRESSURE: 4528400 243.501 166.679 60.9781 166.68 255.184 81.0464 60.9779 81.0458 -112.455 GPRESSURE: 4528400 241.466 139.23 106.821 142.055 278.991 87.43 54.5643 14.0404 -80.9876 PRESSAVG: 4528400 31.7606 -5.28792 -34.5231 -5.28797 -44.9376 8.22198 -34.5231 8.22189 3.76599 GPRESSAVG: 4528400 30.422 -6.06245 -34.102 -5.25667 -45.1557 6.78408 -32.3817 8.33372 4.67638 TIMING: 4528400 CPU: 14390.5, 0.00324404/step Wall: 14390.5, 0.00324404/step, 0.42497 hours remaining, 237.898438 MB of memory in use. ENERGY: 4528400 3990.0968 20683.7532 14442.5625 235.2245 -203446.2748 2809.6624 0.0000 0.0000 52073.9967 -109210.9787 299.2700 -161284.9753 -108846.6512 299.6059 128.7431 146.4899 760125.0511 -3.1370 -3.3525 PRESSURE: 4528600 -254.69 -94.2998 136.661 -94.3013 89.3103 -4.88081 136.662 -4.88104 -397.357 GPRESSURE: 4528600 -215.571 -49.2287 186.613 -45.3856 22.7085 -107.695 -50.6525 152.34 -277.868 PRESSAVG: 4528600 -0.281825 -61.5229 -18.5579 -61.5229 1.34964 12.0985 -18.5579 12.0985 7.43118 GPRESSAVG: 4528600 -1.7258 -62.0959 -20.432 -59.0681 3.13476 14.9102 -18.6785 10.9411 7.56549 TIMING: 4528600 CPU: 14391.1, 0.00315176/step Wall: 14391.1, 0.00315176/step, 0.412705 hours remaining, 237.964844 MB of memory in use. ENERGY: 4528600 3995.3497 20652.4609 14404.7927 255.3265 -203551.5920 2668.3429 0.0000 0.0000 52064.3498 -109510.9693 299.2145 -161575.3191 -109144.8179 299.9411 -187.5787 -156.9104 761579.7440 2.8330 2.9915 PRESSURE: 4528800 -264.782 35.3962 2.11575 35.3956 -21.618 -68.0576 2.11496 -68.0571 -258.385 GPRESSURE: 4528800 -205.904 39.7208 -23.0563 83.987 -32.3127 -98.5992 -27.8062 63.1237 -204.76 PRESSAVG: 4528800 -3.76551 -61.0656 -28.0775 -61.0655 16.6535 3.96887 -28.0775 3.96882 -9.69413 GPRESSAVG: 4528800 -3.21954 -60.4948 -26.5639 -62.7914 17.3097 4.6558 -29.7925 6.2851 -10.9501 TIMING: 4528800 CPU: 14391.7, 0.00316901/step Wall: 14391.7, 0.00316901/step, 0.414788 hours remaining, 237.964844 MB of memory in use. ENERGY: 4528800 4038.8481 20615.4861 14490.5012 230.4445 -203509.9999 2587.2224 0.0000 0.0000 52090.3941 -109457.1037 299.3642 -161547.4977 -109090.8884 299.4106 -181.5951 -147.6588 761567.4476 1.0646 1.0467 PRESSURE: 4529000 -59.683 -267.906 -335.091 -267.906 215.4 78.3192 -335.09 78.3197 171.322 GPRESSURE: 4529000 8.0254 -264.692 -316.474 -248.378 244.746 64.861 -343.326 60.2506 158.546 PRESSAVG: 4529000 -34.9559 -22.2487 -29.1317 -22.2487 22.8788 -28.9643 -29.1316 -28.9644 -30.3054 GPRESSAVG: 4529000 -33.9639 -22.0974 -30.9324 -22.6285 20.0329 -30.3252 -25.7761 -30.4045 -28.0714 TIMING: 4529000 CPU: 14392.4, 0.00317219/step Wall: 14392.4, 0.00317219/step, 0.415029 hours remaining, 237.964844 MB of memory in use. ENERGY: 4529000 4003.8917 20601.2580 14464.1156 240.8088 -203609.7775 2693.2776 0.0000 0.0000 51939.5751 -109666.8506 298.4975 -161606.4257 -109320.6718 299.3592 109.0130 137.1057 760465.3088 -14.1275 -14.0008 PRESSURE: 4529200 -52.5983 -171.39 28.7588 -171.39 71.3617 358.059 28.7589 358.059 7.69728 GPRESSURE: 4529200 46.3163 -5.72065 91.9654 -189.37 4.53503 253.72 57.3863 394.883 41.0124 PRESSAVG: 4529200 14.4197 -9.31197 -14.1769 -9.31197 -16.1089 9.18442 -14.1769 9.18445 3.63701 GPRESSAVG: 4529200 15.0473 -7.88357 -14.7112 -8.06404 -14.955 7.64263 -14.7237 9.25865 1.96937 TIMING: 4529200 CPU: 14393, 0.00316528/step Wall: 14393, 0.00316528/step, 0.413949 hours remaining, 237.964844 MB of memory in use. ENERGY: 4529200 4051.2801 20550.6375 14485.8362 244.3949 -203701.8287 2759.8556 0.0000 0.0000 51984.4892 -109625.3351 298.7556 -161609.8243 -109258.3347 299.2559 8.8202 30.6212 760843.7852 0.6493 0.6872 PRESSURE: 4529400 42.0529 -190.477 223.19 -190.477 -96.8338 144.172 223.19 144.171 223.06 GPRESSURE: 4529400 41.191 -296.753 164.398 -178.025 6.82429 262.446 144.331 84.76 230.706 PRESSAVG: 4529400 1.09226 -44.8033 5.99367 -44.8033 24.7503 13.5132 5.99358 13.5133 -9.34845 GPRESSAVG: 4529400 -0.00948537 -46.1546 7.95488 -45.9613 26.0207 14.1774 5.21813 14.7925 -9.05379 TIMING: 4529400 CPU: 14393.6, 0.0031583/step Wall: 14393.6, 0.0031583/step, 0.41286 hours remaining, 237.964844 MB of memory in use. ENERGY: 4529400 3973.9277 20422.6671 14515.9682 249.6056 -203882.8544 2818.5698 0.0000 0.0000 52345.5436 -109556.5723 300.8306 -161902.1159 -109189.0844 299.4511 56.0929 92.9071 761335.5526 5.4980 5.6525 PRESSURE: 4529600 149.582 -37.8467 1.79366 -37.8467 191.041 35.2781 1.79405 35.2787 -103.137 GPRESSURE: 4529600 199.527 -27.2294 -64.7535 -3.45821 237.538 146.556 77.2625 -62.614 -83.2629 PRESSAVG: 4529600 -13.1374 -26.0058 -36.6676 -26.0057 11.0897 23.2726 -36.6676 23.2726 13.9185 GPRESSAVG: 4529600 -13.247 -26.3308 -37.568 -26.3552 10.7127 22.889 -37.1751 22.5084 14.4959 TIMING: 4529600 CPU: 14394.3, 0.00317926/step Wall: 14394.3, 0.00317926/step, 0.415423 hours remaining, 237.964844 MB of memory in use. ENERGY: 4529600 4042.0589 20683.1429 14477.9220 264.7947 -203463.9327 2569.0792 0.0000 0.0000 51801.6357 -109625.2993 297.7047 -161426.9350 -109282.2541 299.2919 79.1619 117.9339 760356.9112 3.9569 3.9872 PRESSURE: 4529800 20.5939 113.582 -431.629 113.583 -342.749 -164.168 -431.63 -164.169 156.489 GPRESSURE: 4529800 94.1231 38.8477 -372.761 120.576 -292.455 -105.245 -450.48 -61.453 117.298 PRESSAVG: 4529800 -10.6413 -48.6192 24.351 -48.6192 15.5054 -23.3911 24.351 -23.391 6.0663 GPRESSAVG: 4529800 -9.46878 -51.3426 24.9681 -46.4577 15.3359 -22.4129 24.2874 -23.6383 5.44832 TIMING: 4529800 CPU: 14394.9, 0.00317161/step Wall: 14394.9, 0.00317161/step, 0.414248 hours remaining, 237.964844 MB of memory in use. ENERGY: 4529800 4007.6527 20525.6300 14469.3061 237.2639 -203646.3317 2632.1381 0.0000 0.0000 51978.0232 -109796.3177 298.7184 -161774.3409 -109441.2103 299.1949 -55.2219 -27.0112 759758.2767 3.6435 3.7718 PRESSURE: 4530000 -75.0292 53.3544 -56.2086 53.3543 -458.566 104.993 -56.2082 104.993 -152.228 GPRESSURE: 4530000 -149.165 48.8816 19.7396 -32.5297 -334.028 112.95 -54.791 120.954 -101.863 PRESSAVG: 4530000 31.7727 -9.85478 -85.5937 -9.85485 43.8617 33.4616 -85.5938 33.4616 -13.7417 GPRESSAVG: 4530000 30.6327 -8.39374 -87.385 -13.09 43.1264 32.3983 -83.0078 33.9236 -12.1455 TIMING: 4530000 CPU: 14395.5, 0.00315174/step Wall: 14395.5, 0.00315174/step, 0.411477 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4530000 3993.1913 20550.8800 14429.5975 226.8251 -203641.3900 2660.6462 0.0000 0.0000 51926.7191 -109853.5307 298.4236 -161780.2498 -109499.0965 298.6137 -228.6078 -195.0186 761304.2170 20.6309 20.5379 PRESSURE: 4530200 207.434 87.3661 -213.459 87.3666 76.8694 -6.90852 -213.459 -6.90824 -116.953 GPRESSURE: 4530200 285.636 120.114 -216.892 87.3891 166.951 -150.829 -273.384 19.8486 -210.607 PRESSAVG: 4530200 15.43 -70.1432 9.44322 -70.1432 12.4148 -6.82359 9.44319 -6.82364 -7.1298 GPRESSAVG: 4530200 16.0521 -67.9971 12.4846 -68.1688 13.1844 -6.56966 6.45839 -7.41216 -9.05949 TIMING: 4530200 CPU: 14396.2, 0.00315798/step Wall: 14396.2, 0.00315798/step, 0.412117 hours remaining, 237.964844 MB of memory in use. ENERGY: 4530200 3904.0363 20476.0838 14437.4649 261.7292 -203928.0397 2930.9493 0.0000 0.0000 52252.7227 -109665.0535 300.2971 -161917.7762 -109302.3221 298.8778 55.7834 80.6600 762020.4974 6.9050 6.7256 PRESSURE: 4530400 -213.441 -75.1452 -52.8211 -75.1445 -69.5415 190.642 -52.8213 190.644 -349.486 GPRESSURE: 4530400 -105.318 36.1467 20.7816 -42.2345 -96.0569 269.448 20.0661 169.371 -376.237 PRESSAVG: 4530400 -13.3504 -37.6057 -19.6335 -37.6056 -8.49847 -10.6557 -19.6334 -10.6557 -8.55929 GPRESSAVG: 4530400 -13.1726 -37.9117 -19.4575 -38.9068 -9.193 -11.8154 -19.5145 -7.52417 -8.17608 TIMING: 4530400 CPU: 14396.8, 0.00317202/step Wall: 14396.8, 0.00317202/step, 0.413772 hours remaining, 237.964844 MB of memory in use. ENERGY: 4530400 4074.1077 20661.5393 14374.8269 254.5725 -203672.7119 2606.7571 0.0000 0.0000 51938.1295 -109762.7790 298.4891 -161700.9085 -109407.0699 298.6970 -210.8227 -192.5373 761492.2160 -10.1361 -10.1806 PRESSURE: 4530600 146.393 -84.6662 -208.615 -84.6659 -193.564 -205.542 -208.615 -205.543 163.041 GPRESSURE: 4530600 124.548 -143.344 -275.686 0.393941 -93.1816 -230.2 -204.324 -275.878 164.412 PRESSAVG: 4530600 -27.7144 -49.5757 6.61456 -49.5757 51.4622 -47.3208 6.61448 -47.3208 -1.96455 GPRESSAVG: 4530600 -28.9786 -50.9433 5.39857 -49.3407 53.1277 -45.9722 5.98222 -50.044 -2.31884 TIMING: 4530600 CPU: 14397.4, 0.00317193/step Wall: 14397.4, 0.00317193/step, 0.413584 hours remaining, 237.964844 MB of memory in use. ENERGY: 4530600 4070.7466 20593.9128 14457.9893 256.4620 -204157.8192 3075.3060 0.0000 0.0000 52024.1734 -109679.2291 298.9836 -161703.4026 -109305.1401 298.4780 38.6234 65.2594 759867.5171 7.2611 7.2767 PRESSURE: 4530800 -270.755 229.946 -40.4103 229.946 -276.357 -180.92 -40.411 -180.921 -400.725 GPRESSURE: 4530800 -259.725 156.645 -75.2782 258.126 -237.535 -241.069 91.7085 -106.688 -368.695 PRESSAVG: 4530800 -30.1683 -46.2044 -12.6318 -46.2044 -33.5792 -45.4993 -12.6318 -45.4994 -14.6244 GPRESSAVG: 4530800 -30.3148 -45.8061 -11.8558 -44.5366 -34.2908 -45.7631 -11.8946 -45.57 -14.0784 TIMING: 4530800 CPU: 14398.1, 0.00316227/step Wall: 14398.1, 0.00316227/step, 0.412149 hours remaining, 237.964844 MB of memory in use. ENERGY: 4530800 4005.4622 20642.9137 14464.3298 262.5210 -203403.4477 2385.1373 0.0000 0.0000 51964.0379 -109679.0458 298.6380 -161643.0837 -109303.5592 298.6785 -315.9456 -288.6518 762328.8448 -26.1239 -26.2280 PRESSURE: 4531000 -86.4077 -36.7447 150.153 -36.7458 182.248 -202.83 150.152 -202.83 -450.799 GPRESSURE: 4531000 -65.3434 -73.1317 108.729 44.9619 137.894 -190.022 37.4759 -155.855 -347.139 PRESSAVG: 4531000 -16.7465 -51.5016 -25.9629 -51.5015 35.1997 -8.51867 -25.9629 -8.51872 35.3467 GPRESSAVG: 4531000 -15.7631 -50.6441 -25.033 -53.9178 35.0254 -8.43051 -26.686 -9.98355 35.0324 TIMING: 4531000 CPU: 14398.7, 0.00315026/step Wall: 14398.7, 0.00315026/step, 0.410409 hours remaining, 237.964844 MB of memory in use. ENERGY: 4531000 3963.0282 20490.0475 14527.0023 223.3218 -203504.2248 2532.3884 0.0000 0.0000 52123.7755 -109644.6611 299.5561 -161768.4367 -109274.4622 298.9612 -118.3197 -91.5294 761298.0916 17.9333 18.0982 PRESSURE: 4531200 -78.3214 32.041 140.672 32.0408 98.376 43.0158 140.671 43.0157 -319.073 GPRESSURE: 4531200 -63.186 15.7637 154.769 15.2897 123.539 136.389 225.408 143.123 -263.628 PRESSAVG: 4531200 -10.4923 -46.7511 -46.9754 -46.7511 32.5849 10.4459 -46.9754 10.4458 -3.35836 GPRESSAVG: 4531200 -10.1002 -45.696 -47.737 -47.6059 31.4708 10.394 -45.7978 13.263 -2.38357 TIMING: 4531200 CPU: 14399.3, 0.00315191/step Wall: 14399.3, 0.00315191/step, 0.410448 hours remaining, 237.964844 MB of memory in use. ENERGY: 4531200 3989.4179 20652.5217 14491.0134 246.3002 -203644.1812 2652.7761 0.0000 0.0000 51949.5728 -109662.5791 298.5549 -161612.1518 -109305.3985 299.0126 -99.6729 -67.7582 761149.7253 6.2448 6.3290 PRESSURE: 4531400 -541.688 126.025 -72.7579 126.025 132.325 135.955 -72.7577 135.955 -263.255 GPRESSURE: 4531400 -450.905 126.19 -23.7506 61.1 66.6125 59.6881 -42.0044 120.849 -216.024 PRESSAVG: 4531400 21.5036 2.9425 34.0596 2.94251 -49.4128 -5.77282 34.0596 -5.77287 4.2003 GPRESSAVG: 4531400 21.301 2.82364 33.8747 4.44799 -47.3566 -6.62127 33.6706 -5.77212 2.51691 TIMING: 4531400 CPU: 14400, 0.00316236/step Wall: 14400, 0.00316236/step, 0.411634 hours remaining, 237.964844 MB of memory in use. ENERGY: 4531400 3985.1428 20709.4183 14518.3734 248.4088 -203442.4251 2287.9699 0.0000 0.0000 51828.5574 -109864.5544 297.8594 -161693.1118 -109498.8132 298.7711 -224.2061 -200.1054 761572.3703 -7.9030 -7.8463 PRESSURE: 4531600 157.954 -33.3346 5.81327 -33.3336 193.283 110.76 5.81196 110.76 241.533 GPRESSURE: 4531600 208.742 -152.623 60.4345 -114.6 192.335 22.3017 104.818 102.579 280.897 PRESSAVG: 4531600 50.2933 37.0348 18.0265 37.0349 -39.8904 23.9413 18.0265 23.9413 11.2087 GPRESSAVG: 4531600 49.6164 35.7739 16.6569 35.4394 -41.0189 26.4414 18.6519 21.1053 11.6952 TIMING: 4531600 CPU: 14400.6, 0.00316332/step Wall: 14400.6, 0.00316332/step, 0.411583 hours remaining, 237.964844 MB of memory in use. ENERGY: 4531600 3931.3175 20588.1887 14400.6941 233.8479 -203618.6711 2779.1332 0.0000 0.0000 51791.2322 -109894.2577 297.6449 -161685.4899 -109521.9876 298.2882 197.5897 227.3246 761967.3520 7.2039 6.7643 PRESSURE: 4531800 201.66 102.236 203.054 102.235 -199.311 -150.435 203.054 -150.435 238.892 GPRESSURE: 4531800 184.458 60.4503 140.922 192.144 -92.1002 -71.8285 160.623 -177.756 242.112 PRESSAVG: 4531800 11.4981 -7.33923 31.6774 -7.33926 -4.02843 39.9716 31.6773 39.9715 -4.86997 GPRESSAVG: 4531800 13.0354 -6.28868 31.9308 -7.58409 -3.98665 38.9059 31.7787 41.7544 -5.3533 TIMING: 4531800 CPU: 14401.2, 0.00313981/step Wall: 14401.2, 0.00313981/step, 0.408349 hours remaining, 237.964844 MB of memory in use. ENERGY: 4531800 3926.2715 20511.7124 14434.7139 253.8298 -203824.5965 2702.7209 0.0000 0.0000 52072.1906 -109923.1575 299.2596 -161995.3481 -109557.0453 298.2618 80.4133 111.4900 760184.6847 0.8666 1.2318 PRESSURE: 4532000 -359.434 118.472 94.4134 118.471 0.669243 -90.5898 94.4139 -90.5904 -198.595 GPRESSURE: 4532000 -323.41 123.603 122.624 77.2136 -58.0685 -55.4243 130.258 -61.9259 -86.2776 PRESSAVG: 4532000 -23.8234 -18.6951 17.1314 -18.6952 -10.9169 21.5904 17.1314 21.5904 23.8246 GPRESSAVG: 4532000 -25.108 -17.6264 17.9978 -17.3318 -10.5432 21.0749 15.7274 21.2536 25.3657 TIMING: 4532000 CPU: 14401.8, 0.0031541/step Wall: 14401.8, 0.0031541/step, 0.410033 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4532000 3936.5642 20476.0731 14526.8280 263.5009 -203684.9569 2643.2490 0.0000 0.0000 52085.2531 -109753.4887 299.3347 -161838.7418 -109380.8158 298.9933 -185.7864 -155.9188 762342.8785 -3.6386 -3.4285 PRESSURE: 4532200 71.0922 31.1611 -33.8001 31.1609 -286.692 101.29 -33.7996 101.29 9.48345 GPRESSURE: 4532200 90.4774 -36.6243 -81.0351 -9.09545 -310.345 60.8291 -67.1987 74.559 94.4116 PRESSAVG: 4532200 34.9946 17.664 35.7274 17.6639 12.6602 8.90568 35.7274 8.90565 -2.08821 GPRESSAVG: 4532200 34.6988 17.2963 35.6332 17.4659 12.2497 8.03427 35.99 10.1397 -1.35872 TIMING: 4532200 CPU: 14402.5, 0.00315707/step Wall: 14402.5, 0.00315707/step, 0.410244 hours remaining, 237.964844 MB of memory in use. ENERGY: 4532200 4079.6138 20402.0976 14532.3144 224.8311 -203660.9034 2760.6251 0.0000 0.0000 51809.7974 -109851.6240 297.7516 -161661.4214 -109489.5876 298.9697 -68.7055 -41.8188 759986.3579 15.1889 15.1966 LDB: ============= START OF LOAD BALANCING ============== 14414.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14414.9 LDB: =============== DONE WITH MIGRATION ================ 14414.9 LDB: ============= START OF LOAD BALANCING ============== 14415.2 LDB: Largest compute 7058 load 0.035031 is 17.9% of average load 0.195993 LDB: Average compute 0.004385 is 2.2% of average load 0.195993 LDB: TIME 14415.2 LOAD: AVG 0.195993 MAX 0.216181 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 14415.2 LOAD: AVG 0.195993 MAX 0.216181 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: TIME 14415.2 LOAD: AVG 0.195993 MAX 0.216181 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: ============== END OF LOAD BALANCING =============== 14415.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14415.2 PRESSURE: 4532400 -58.3411 -55.7389 287.445 -55.7401 -1.393 103.345 287.445 103.345 -336.018 GPRESSURE: 4532400 -25.3248 -25.9223 238.549 -58.3219 39.1421 -14.8668 311.296 51.9835 -315.313 PRESSAVG: 4532400 28.2774 -34.0665 91.958 -34.0664 -24.5148 52.4224 91.958 52.4225 -10.9436 GPRESSAVG: 4532400 28.6287 -34.7009 90.5686 -34.0431 -24.2797 53.7062 92.4061 51.3665 -11.2164 TIMING: 4532400 CPU: 14403.1, 0.00323411/step Wall: 14403.1, 0.00323411/step, 0.420075 hours remaining, 238.976562 MB of memory in use. ENERGY: 4532400 4019.8073 20463.9861 14408.9596 253.4840 -203821.9810 2920.8316 0.0000 0.0000 51970.2135 -109784.6990 298.6735 -161754.9125 -109416.7148 298.7229 -131.9175 -100.4985 761406.7010 -2.3937 -2.2891 PRESSURE: 4532600 -78.9482 -189.68 40.4884 -189.679 -55.8587 -117.94 40.4882 -117.94 232.672 GPRESSURE: 4532600 27.1626 -107.508 80.4861 -149.146 -147.941 23.9339 118.55 -114.013 306.374 PRESSAVG: 4532600 -9.83429 -57.5739 60.5549 -57.5739 -34.4488 4.05966 60.5549 4.05967 -0.982881 GPRESSAVG: 4532600 -8.28878 -57.8768 60.5686 -58.008 -34.7724 3.41661 62.9288 4.97441 -2.75098 TIMING: 4532600 CPU: 14403.8, 0.00314978/step Wall: 14403.8, 0.00314978/step, 0.408947 hours remaining, 239.179688 MB of memory in use. ENERGY: 4532600 3973.3512 20460.8326 14404.7773 258.9798 -203712.8238 2703.8340 0.0000 0.0000 52143.0216 -109768.0273 299.6667 -161911.0489 -109404.9360 298.5823 32.6218 61.8652 760685.2076 -15.0887 -15.2707 PRESSURE: 4532800 139.873 -110.996 -26.1251 -110.996 -46.074 11.4919 -26.1248 11.4919 100.797 GPRESSURE: 4532800 2.78888 -186.173 -10.5988 -136.417 91.1284 -60.5024 66.3247 50.876 171.265 PRESSAVG: 4532800 -2.8393 -43.0369 59.2946 -43.0369 36.4907 34.2984 59.2946 34.2985 12.175 GPRESSAVG: 4532800 -5.63619 -43.7095 60.4659 -42.6658 37.807 34.4008 57.7653 35.2577 13.448 TIMING: 4532800 CPU: 14404.4, 0.00316274/step Wall: 14404.4, 0.00316274/step, 0.410454 hours remaining, 239.179688 MB of memory in use. ENERGY: 4532800 4081.0937 20443.8330 14414.0760 253.7198 -203390.3586 2435.1341 0.0000 0.0000 51892.7423 -109869.7597 298.2283 -161762.5020 -109508.5632 298.5805 64.8655 88.3941 759476.7069 15.2755 15.2063 PRESSURE: 4533000 -104.044 4.19076 42.7149 4.19058 -158.487 -1.69788 42.7146 -1.69789 -115.679 GPRESSURE: 4533000 -69.007 0.495351 111.847 6.73772 -132.382 3.48633 123.154 -105.484 -96.5159 PRESSAVG: 4533000 -28.7712 -44.9963 0.521567 -44.9963 6.07693 -7.06464 0.521596 -7.06464 1.41767 GPRESSAVG: 4533000 -27.5996 -44.7044 0.921019 -45.3353 7.00105 -7.49461 0.788595 -8.75159 -0.470398 TIMING: 4533000 CPU: 14405, 0.00314893/step Wall: 14405, 0.00314893/step, 0.408486 hours remaining, 239.179688 MB of memory in use. ENERGY: 4533000 4003.3867 20613.1125 14397.8218 236.1582 -203331.1524 2386.6949 0.0000 0.0000 51785.5714 -109908.4070 297.6124 -161693.9784 -109546.7537 297.5498 -126.0698 -99.3018 762551.2664 -7.0922 -7.0230 PRESSURE: 4533200 -181.402 -90.4318 -61.721 -90.4318 -51.3397 38.4808 -61.7199 38.4813 173.322 GPRESSURE: 4533200 -107.297 -44.1033 -17.5367 13.7116 -11.3162 118.027 -159.811 207.019 145.347 PRESSAVG: 4533200 -7.05979 -24.481 39.4206 -24.4809 -13.4336 1.90894 39.4206 1.90898 7.96112 GPRESSAVG: 4533200 -7.51992 -23.4135 39.6055 -22.8066 -13.9271 2.10472 38.0928 1.95261 8.97527 TIMING: 4533200 CPU: 14405.6, 0.00314824/step Wall: 14405.6, 0.00314824/step, 0.408222 hours remaining, 239.179688 MB of memory in use. ENERGY: 4533200 3953.2467 20584.9248 14411.9711 246.9007 -203435.6621 2450.9392 0.0000 0.0000 51793.2497 -109994.4298 297.6565 -161787.6795 -109619.9877 298.2588 -19.8065 8.9113 761141.2435 -4.1774 -4.1572 PRESSURE: 4533400 -229.501 -8.03437 -40.0159 -8.03389 -157.376 139.644 -40.0152 139.644 226.631 GPRESSURE: 4533400 -225.476 -124.784 -72.8609 -5.74534 -125.338 81.6737 -44.9048 123.966 278.167 PRESSAVG: 4533400 -12.1025 -79.5483 19.4508 -79.5484 22.4153 27.5164 19.4508 27.5164 -1.35347 GPRESSAVG: 4533400 -11.6868 -79.4829 19.5757 -81.4451 22.3276 28.4571 21.0565 26.4845 -1.84619 TIMING: 4533400 CPU: 14406.3, 0.00314005/step Wall: 14406.3, 0.00314005/step, 0.406985 hours remaining, 239.179688 MB of memory in use. ENERGY: 4533400 3900.9523 20450.3621 14475.2328 254.9045 -203651.3585 2769.9457 0.0000 0.0000 51695.9307 -110104.0304 297.0972 -161799.9612 -109740.8389 297.6554 -53.4155 -24.2157 761866.6483 2.9864 2.9316 PRESSURE: 4533600 -252.372 -179.41 119.02 -179.411 -70.7269 116.651 119.02 116.651 -29.8608 GPRESSURE: 4533600 -228.488 -125.628 42.3812 -131.151 -33.0926 52.8014 112.567 160.808 6.37183 PRESSAVG: 4533600 -17.0606 -81.3295 0.836336 -81.3295 -18.9203 42.5344 0.836296 42.5345 -9.41353 GPRESSAVG: 4533600 -16.2146 -81.3242 0.614639 -80.4863 -19.73 41.4105 1.73457 44.1853 -9.62785 TIMING: 4533600 CPU: 14406.9, 0.00313218/step Wall: 14406.9, 0.00313218/step, 0.405792 hours remaining, 239.179688 MB of memory in use. ENERGY: 4533600 3883.1922 20473.9460 14436.2804 238.6283 -203747.2103 2702.5933 0.0000 0.0000 51726.9102 -110285.6599 297.2753 -162012.5701 -109929.5773 297.5136 -117.6531 -85.0696 760980.9470 -15.1315 -15.1908 PRESSURE: 4533800 -75.917 -140.443 -77.1008 -140.442 -308.492 -107.843 -77.1009 -107.843 -602.046 GPRESSURE: 4533800 -43.2281 -94.1774 -98.9777 -152.833 -199.071 -107.167 -138.725 -40.6327 -649.072 PRESSAVG: 4533800 -23.6453 -51.2628 22.7758 -51.2628 -10.5299 25.4109 22.7759 25.411 -0.969918 GPRESSAVG: 4533800 -24.3414 -51.02 23.6739 -53.0627 -9.43607 26.6358 21.4402 26.5794 -1.41193 TIMING: 4533800 CPU: 14407.5, 0.00317681/step Wall: 14407.5, 0.00317681/step, 0.411397 hours remaining, 239.179688 MB of memory in use. ENERGY: 4533800 3984.2551 20433.4871 14405.6470 237.1366 -203750.3378 2585.6972 0.0000 0.0000 51758.0502 -110346.0646 297.4542 -162104.1148 -109995.2872 297.5008 -328.8183 -297.1236 762613.0806 -11.7150 -11.7298 PRESSURE: 4534000 -351.988 -40.3249 250.89 -40.3246 -235.065 -108.734 250.89 -108.733 179.373 GPRESSURE: 4534000 -325.607 -31.7455 196.423 28.2506 -191.596 -62.7389 88.6803 -156.55 180.275 PRESSAVG: 4534000 10.5238 -42.6977 33.0589 -42.6977 -29.1458 10.5311 33.0588 10.5311 -7.57981 GPRESSAVG: 4534000 10.637 -43.2101 31.7051 -40.6742 -30.0488 9.62291 34.2328 8.12668 -7.06678 TIMING: 4534000 CPU: 14408.2, 0.00316988/step Wall: 14408.2, 0.00316988/step, 0.410323 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4534000 3956.7042 20557.8212 14424.6239 232.9316 -204143.9732 2730.4251 0.0000 0.0000 51983.7690 -110257.6982 298.7514 -162241.4672 -109891.4876 297.9543 -135.8932 -112.3095 761247.3706 -8.7339 -8.8262 PRESSURE: 4534200 244.954 9.54347 173.201 9.54416 -271.639 0.233316 173.201 0.232549 56.9256 GPRESSURE: 4534200 266.342 -146.557 169.618 -35.1532 -241.032 12.2622 113.97 15.0512 86.8922 PRESSAVG: 4534200 39.8427 -3.20248 -7.23712 -3.20246 5.89483 0.12192 -7.23711 0.121956 21.9761 GPRESSAVG: 4534200 38.7214 -5.29198 -6.76148 -4.83328 6.05421 0.112345 -7.18625 0.976922 23.0476 TIMING: 4534200 CPU: 14408.8, 0.00314679/step Wall: 14408.8, 0.00314679/step, 0.40716 hours remaining, 239.179688 MB of memory in use. ENERGY: 4534200 4007.4907 20345.5926 14464.7761 229.6548 -203932.1045 2825.4816 0.0000 0.0000 51959.1139 -110099.9948 298.6097 -162059.1087 -109746.3543 297.8185 10.0803 37.4008 761036.7340 22.5712 22.6077 PRESSURE: 4534400 -294.538 42.2818 -132.91 42.2814 -387.785 10.891 -132.91 10.8914 -89.0524 GPRESSURE: 4534400 -275.822 127.718 -116.641 109.033 -352.968 26.6982 -114.194 11.5517 -52.4167 PRESSAVG: 4534400 69.9514 2.07233 -42.4261 2.07227 -53.6038 43.3794 -42.4261 43.3793 15.7958 GPRESSAVG: 4534400 71.739 4.57713 -41.9822 2.67444 -53.916 43.5529 -43.8679 43.1945 14.4752 TIMING: 4534400 CPU: 14409.4, 0.00314513/step Wall: 14409.4, 0.00314513/step, 0.40677 hours remaining, 239.179688 MB of memory in use. ENERGY: 4534400 3913.2522 20295.9541 14435.9805 260.9513 -203596.3459 2517.9448 0.0000 0.0000 52107.9779 -110064.2852 299.4653 -162172.2631 -109700.9287 298.0688 -257.1252 -227.0689 760160.3274 10.7145 10.7660 PRESSURE: 4534600 82.7394 -31.0308 -66.2028 -31.0307 -46.2813 -261.872 -66.2027 -261.874 127.38 GPRESSURE: 4534600 8.31377 -37.2509 -155.316 -107.289 74.6335 -187.458 49.2424 -150.081 166.813 PRESSAVG: 4534600 -26.2112 10.7617 -16.0425 10.7616 11.2075 13.1123 -16.0425 13.1122 6.83907 GPRESSAVG: 4534600 -27.7419 10.4804 -16.1094 10.5272 12.6744 13.0475 -14.9148 13.0507 6.34642 TIMING: 4534600 CPU: 14410.1, 0.00314765/step Wall: 14410.1, 0.00314765/step, 0.406922 hours remaining, 239.179688 MB of memory in use. ENERGY: 4534600 3961.2386 20423.9954 14407.3483 220.0644 -203631.2461 2816.0537 0.0000 0.0000 51682.4251 -110120.1206 297.0196 -161802.5457 -109760.4283 298.2056 54.6127 83.2534 760779.7916 -2.7215 -2.9070 PRESSURE: 4534800 268.317 -126.685 -86.3039 -126.685 -81.4948 191.53 -86.3044 191.53 -62.656 GPRESSURE: 4534800 274.298 -158.015 -87.4266 -84.1882 -21.1511 218.806 -216.287 177.182 -37.2789 PRESSAVG: 4534800 -7.49191 21.0037 -42.669 21.0037 -2.51722 16.2259 -42.669 16.2257 1.32726 GPRESSAVG: 4534800 -7.1639 20.2018 -43.887 22.3804 -3.10872 16.0769 -42.6923 15.4078 2.27774 TIMING: 4534800 CPU: 14410.7, 0.00313331/step Wall: 14410.7, 0.00313331/step, 0.404893 hours remaining, 239.179688 MB of memory in use. ENERGY: 4534800 3983.1806 20503.4301 14474.8598 262.1170 -203547.6757 2833.5972 0.0000 0.0000 51460.4376 -110030.0533 295.7438 -161490.4910 -109678.0808 297.5791 41.3889 71.9560 761267.0515 -2.8940 -2.6650 PRESSURE: 4535000 -85.1539 55.4168 -40.4717 55.4181 -93.8061 -242.077 -40.4722 -242.079 124.652 GPRESSURE: 4535000 -33.7088 -63.214 -99.2722 32.5565 -80.5993 -190.067 -151.653 -133.685 140.659 PRESSAVG: 4535000 -56.1404 33.0659 -7.29921 33.066 34.2105 20.0482 -7.29919 20.0481 -0.951275 GPRESSAVG: 4535000 -55.2028 34.3251 -6.67793 31.6541 33.2197 21.0466 -8.37358 18.8636 -0.958979 TIMING: 4535000 CPU: 14411.3, 0.00316639/step Wall: 14411.3, 0.00316639/step, 0.408992 hours remaining, 239.179688 MB of memory in use. ENERGY: 4535000 3982.3930 20457.5210 14477.6312 259.4911 -203749.6569 3077.2824 0.0000 0.0000 51506.0957 -109989.2425 296.0062 -161495.3382 -109634.3996 297.6990 -18.1026 8.7837 762423.5465 -7.6271 -7.6474 PRESSURE: 4535200 154.105 42.7454 218.257 42.7453 88.3989 224.357 218.258 224.357 252.965 GPRESSURE: 4535200 271.547 47.2692 242.346 11.3993 93.9169 264.213 116.743 225.902 222.226 PRESSAVG: 4535200 -50.2513 14.1182 -38.2111 14.1181 25.4864 -39.4815 -38.2111 -39.4815 20.2561 GPRESSAVG: 4535200 -49.5027 14.2374 -38.8098 13.0946 25.9661 -39.8194 -36.636 -36.9695 19.4902 TIMING: 4535200 CPU: 14411.9, 0.00315626/step Wall: 14411.9, 0.00315626/step, 0.407508 hours remaining, 239.179688 MB of memory in use. ENERGY: 4535200 3944.9591 20203.2261 14476.6216 248.1678 -204114.2517 3149.9442 0.0000 0.0000 52098.0046 -109993.3283 299.4079 -162091.3329 -109630.1454 298.1432 165.1561 195.8966 760953.5428 -1.5029 -1.3488 PRESSURE: 4535400 116.007 -144.184 -175.912 -144.184 153.034 -172.444 -175.911 -172.446 254.633 GPRESSURE: 4535400 137.97 -138.662 -70.6019 -159.977 202.323 -184.438 -138.287 -154.456 262.029 PRESSAVG: 4535400 -41.8401 29.8254 7.55901 29.8254 33.4908 28.3909 7.55895 28.3909 -16.3396 GPRESSAVG: 4535400 -43.3015 28.3762 8.82457 32.9996 34.4013 28.5311 7.24068 28.0877 -15.0923 TIMING: 4535400 CPU: 14412.6, 0.00317889/step Wall: 14412.6, 0.00317889/step, 0.410253 hours remaining, 239.179688 MB of memory in use. ENERGY: 4535400 3977.2682 20415.9688 14355.5727 229.2921 -203872.7343 2933.5815 0.0000 0.0000 51900.1301 -110060.9210 298.2708 -161961.0511 -109697.4220 297.7938 174.5577 200.7740 760843.2657 -8.2296 -7.9975 PRESSURE: 4535600 143.149 108.377 68.1966 108.377 84.8501 -224.273 68.1967 -224.272 -121.556 GPRESSURE: 4535600 120.742 -10.7513 -45.9144 55.6167 183.348 -261.659 42.9981 -183.037 -115.858 PRESSAVG: 4535600 -30.5586 -22.9648 -53.3425 -22.9649 49.6964 40.2843 -53.3425 40.2843 -8.33315 GPRESSAVG: 4535600 -29.6523 -21.3649 -52.6611 -26.0937 50.189 40.7611 -53.3579 36.554 -9.83913 TIMING: 4535600 CPU: 14413.2, 0.00314578/step Wall: 14413.2, 0.00314578/step, 0.405806 hours remaining, 239.179688 MB of memory in use. ENERGY: 4535600 3973.5645 20442.4520 14445.5405 266.3347 -203429.1645 2599.1695 0.0000 0.0000 51682.8879 -110019.2154 297.0223 -161702.1033 -109669.7415 297.7165 35.4809 62.7439 761284.2736 3.6016 3.5659 PRESSURE: 4535800 -258.281 -40.5713 -111.176 -40.5724 37.5978 -71.4332 -111.177 -71.4344 -15.6254 GPRESSURE: 4535800 -230.67 67.0257 -108.805 -6.92922 -0.395414 -129.893 -215.032 81.3334 73.0858 PRESSAVG: 4535800 -63.8479 -1.91993 2.61072 -1.91994 52.4539 -6.00089 2.61073 -6.00087 14.4873 GPRESSAVG: 4535800 -64.4903 -0.129914 2.00217 -0.890714 52.7954 -5.4297 1.23948 -2.22234 15.3574 TIMING: 4535800 CPU: 14413.8, 0.00314337/step Wall: 14413.8, 0.00314337/step, 0.40532 hours remaining, 239.179688 MB of memory in use. ENERGY: 4535800 3970.6489 20528.4710 14390.1432 253.8686 -203828.7041 2670.6263 0.0000 0.0000 51897.0105 -110117.9356 298.2528 -162014.9461 -109761.3649 298.1321 -78.7695 -52.6597 760191.6148 1.0311 1.2208 PRESSURE: 4536000 -13.1856 16.083 -128.169 16.0827 -97.6072 -35.0621 -128.17 -35.0616 1.61923 GPRESSURE: 4536000 78.467 127.049 -65.4515 -55.7692 -95.4414 -0.608114 -88.6933 -53.3525 7.73756 PRESSAVG: 4536000 -10.0793 13.983 -16.5128 13.983 22.9903 -22.8788 -16.5128 -22.8788 14.8202 GPRESSAVG: 4536000 -9.34611 10.8202 -16.1316 13.832 23.6395 -22.6217 -15.7756 -23.378 13.902 TIMING: 4536000 CPU: 14414.5, 0.00314844/step Wall: 14414.5, 0.00314844/step, 0.405799 hours remaining, 239.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4536000 3917.2637 20397.0569 14426.0061 242.8004 -203579.5951 2726.4917 0.0000 0.0000 51695.9704 -110174.0059 297.0975 -161869.9763 -109814.2795 298.1429 -36.3912 -3.0790 761487.2672 9.2437 9.3985 PRESSURE: 4536200 -92.5058 -192.1 35.5396 -192.1 258.662 35.2214 35.5403 35.2212 0.432945 GPRESSURE: 4536200 -69.2551 -113.071 14.9597 -188.036 296.422 110.674 127.156 48.0836 23.1187 PRESSAVG: 4536200 -10.9854 33.3309 -44.6697 33.3308 19.6624 19.2727 -44.6697 19.2728 -15.7775 GPRESSAVG: 4536200 -10.8517 36.0307 -42.8666 33.6015 19.1866 19.0278 -44.2708 18.2027 -14.6832 TIMING: 4536200 CPU: 14415.1, 0.0031354/step Wall: 14415.1, 0.0031354/step, 0.403944 hours remaining, 239.179688 MB of memory in use. ENERGY: 4536200 3943.3134 20533.3296 14444.7489 230.5662 -203327.9806 2339.6024 0.0000 0.0000 51710.7571 -110125.6629 297.1824 -161836.4201 -109766.2008 297.6329 55.5296 83.4284 761505.8252 -2.3668 -2.1161 LDB: ============= START OF LOAD BALANCING ============== 14427.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14427.5 LDB: =============== DONE WITH MIGRATION ================ 14427.5 LDB: ============= START OF LOAD BALANCING ============== 14427.8 LDB: Largest compute 7057 load 0.035564 is 18.1% of average load 0.196093 LDB: Average compute 0.004396 is 2.2% of average load 0.196093 LDB: TIME 14427.8 LOAD: AVG 0.196093 MAX 0.220625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.27 MB LDB: TIME 14427.8 LOAD: AVG 0.196093 MAX 0.220625 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.383 MB LDB: TIME 14427.8 LOAD: AVG 0.196093 MAX 0.220625 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.383 MB LDB: ============== END OF LOAD BALANCING =============== 14427.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14427.8 PRESSURE: 4536400 -33.7666 -120.366 -207.817 -120.367 -275.904 -90.9106 -207.816 -90.9094 470.819 GPRESSURE: 4536400 -25.9109 -12.2624 -158.184 -137.61 -252.752 -27.131 -424.424 -4.47332 499.615 PRESSAVG: 4536400 25.8898 7.44497 -57.4601 7.44503 -36.7955 18.5536 -57.4601 18.5536 -0.297846 GPRESSAVG: 4536400 25.7186 7.52849 -58.9432 9.39786 -36.7411 19.1655 -58.2349 19.069 0.203343 TIMING: 4536400 CPU: 14415.7, 0.00323046/step Wall: 14415.7, 0.00323046/step, 0.416011 hours remaining, 237.640625 MB of memory in use. ENERGY: 4536400 3919.1535 20346.9895 14438.8944 246.9794 -203567.0151 2415.4473 0.0000 0.0000 52048.4229 -110151.1280 299.1230 -162199.5509 -109790.6463 298.1685 53.7162 73.6507 761850.9146 -3.7345 -3.6064 PRESSURE: 4536600 -331.376 53.3295 -125.108 53.3283 -103.336 174.084 -125.108 174.084 -256.413 GPRESSURE: 4536600 -183.321 -25.0222 -120.945 51.0997 -107.445 154.231 -91.5911 248.62 -287.26 PRESSAVG: 4536600 37.3504 -6.59804 -47.5714 -6.598 -25.6647 14.9359 -47.5714 14.9359 -22.3047 GPRESSAVG: 4536600 38.535 -6.84371 -49.3816 -8.34592 -25.9018 12.3745 -45.5778 15.6528 -23.3956 TIMING: 4536600 CPU: 14416.4, 0.00327203/step Wall: 14416.4, 0.00327203/step, 0.421183 hours remaining, 237.640625 MB of memory in use. ENERGY: 4536600 3936.5918 20238.6268 14439.4547 257.7968 -203023.4614 2369.0989 0.0000 0.0000 51661.2180 -110120.6742 296.8977 -161781.8923 -109753.6048 297.1612 -230.3750 -192.6754 761893.3811 -3.5397 -3.5874 PRESSURE: 4536800 -196.781 8.49234 -256.287 8.4921 -30.698 288.519 -256.286 288.519 -152.901 GPRESSURE: 4536800 -238.059 -63.7213 -220.117 -0.447579 24.6872 208.359 -112.618 240.904 -67.4438 PRESSAVG: 4536800 35.8837 -3.96236 -31.0124 -3.96236 -39.2361 -4.86361 -31.0123 -4.86363 -14.0947 GPRESSAVG: 4536800 34.4023 -4.00164 -30.3533 -2.17445 -37.7617 -3.75553 -31.3826 -4.72319 -13.8478 TIMING: 4536800 CPU: 14417, 0.00316094/step Wall: 14417, 0.00316094/step, 0.406707 hours remaining, 237.640625 MB of memory in use. ENERGY: 4536800 3940.5475 20284.5861 14489.1904 231.4399 -203926.6161 2969.3266 0.0000 0.0000 51864.8816 -110146.6440 298.0682 -162011.5256 -109786.5930 297.3121 -126.7932 -93.6051 761198.3737 -5.8157 -5.7357 PRESSURE: 4537000 -200.902 174.568 94.2975 174.568 75.0114 317.608 94.2976 317.608 -88.3137 GPRESSURE: 4537000 -147.769 177.651 94.8119 183.507 25.0097 376.578 71.5602 283.78 -7.91606 PRESSAVG: 4537000 0.722585 8.2603 -6.08614 8.26029 -6.09691 29.3771 -6.08618 29.3771 0.829961 GPRESSAVG: 4537000 0.748787 7.9727 -6.48879 6.91444 -7.46991 28.1368 -4.42816 27.6544 2.24113 TIMING: 4537000 CPU: 14417.7, 0.0031708/step Wall: 14417.7, 0.0031708/step, 0.407801 hours remaining, 237.640625 MB of memory in use. ENERGY: 4537000 3931.2574 20290.8286 14482.7160 261.0096 -203394.8368 2680.9196 0.0000 0.0000 51739.2794 -110008.8262 297.3463 -161748.1056 -109649.8503 297.1935 -71.4014 -43.5585 762371.3882 -1.5148 -1.4933 PRESSURE: 4537200 -335.363 -54.9469 62.4917 -54.9465 -47.7228 -76.3933 62.492 -76.3926 424.528 GPRESSURE: 4537200 -280.088 -208.979 62.431 -94.3131 43.992 -120.226 133.748 -25.9724 347.83 PRESSAVG: 4537200 -33.285 0.12831 28.8617 0.128235 43.3605 0.799679 28.8618 0.799713 -6.38717 GPRESSAVG: 4537200 -33.2069 0.579245 29.0853 0.0422713 43.3803 0.951972 27.4859 0.708775 -6.42844 TIMING: 4537200 CPU: 14418.3, 0.00315552/step Wall: 14418.3, 0.00315552/step, 0.40566 hours remaining, 237.640625 MB of memory in use. ENERGY: 4537200 3986.3532 20532.8829 14472.9840 229.5991 -203357.5448 2482.3254 0.0000 0.0000 51643.4823 -110009.9179 296.7958 -161653.4002 -109657.3554 298.2152 13.8142 37.2448 763314.4141 1.2294 1.2483 PRESSURE: 4537400 -3.44935 -156.104 209.192 -156.104 -276.196 -115.538 209.191 -115.539 -198.697 GPRESSURE: 4537400 69.822 -174.323 195.95 -169.229 -309.976 -112.601 122.354 7.96503 -158.757 PRESSAVG: 4537400 13.0106 -28.2264 28.5738 -28.2263 -27.4137 -20.2382 28.5738 -20.2381 6.58897 GPRESSAVG: 4537400 13.1547 -29.788 27.9982 -30.0494 -27.5694 -20.0875 28.0568 -18.3792 6.54501 TIMING: 4537400 CPU: 14418.9, 0.00315464/step Wall: 14418.9, 0.00315464/step, 0.405372 hours remaining, 237.640625 MB of memory in use. ENERGY: 4537400 3936.1903 20388.7645 14456.4166 257.3689 -203319.5046 2383.7435 0.0000 0.0000 52022.0912 -109874.9295 298.9717 -161897.0208 -109507.2257 297.8183 -159.4474 -132.9702 763254.0633 -2.6047 -2.6232 PRESSURE: 4537600 -130.979 -18.5533 -58.9534 -18.553 -100.929 17.9234 -58.9535 17.9246 -34.428 GPRESSURE: 4537600 -97.1604 -12.8709 -45.9969 -123.694 -105.214 -1.83392 138.627 -10.1164 36.6065 PRESSAVG: 4537600 17.9174 -19.0785 42.3741 -19.0785 -28.9053 26.8476 42.3741 26.8477 -1.39287 GPRESSAVG: 4537600 18.6319 -18.5123 43.2125 -17.2106 -28.3406 27.5901 43.6797 26.8273 -2.79684 TIMING: 4537600 CPU: 14419.6, 0.00316534/step Wall: 14419.6, 0.00316534/step, 0.406571 hours remaining, 237.640625 MB of memory in use. ENERGY: 4537600 3965.4194 20566.8391 14400.6839 263.9422 -203263.0963 2501.8358 0.0000 0.0000 51851.0519 -109713.3239 297.9887 -161564.3759 -109350.6000 298.5383 -88.7786 -55.2559 760871.3850 -4.1269 -4.1685 PRESSURE: 4537800 -181.771 157.235 133.423 157.234 -66.0791 -191.73 133.423 -191.731 31.7633 GPRESSURE: 4537800 -219.678 165.451 250.66 100.698 85.4503 -227.049 16.5078 -98.401 10.6843 PRESSAVG: 4537800 -31.6988 -15.7656 7.20346 -15.7657 3.98646 33.0221 7.20349 33.0221 4.15628 GPRESSAVG: 4537800 -32.7694 -15.2732 7.16214 -16.7459 3.47424 32.4822 7.33969 33.056 5.10792 TIMING: 4537800 CPU: 14420.2, 0.00314841/step Wall: 14420.2, 0.00314841/step, 0.404221 hours remaining, 237.640625 MB of memory in use. ENERGY: 4537800 3951.2019 20436.8553 14440.7565 233.6641 -203344.8492 2644.4470 0.0000 0.0000 51858.2929 -109779.6315 298.0303 -161637.9244 -109419.5620 298.5777 -72.0288 -41.1810 762465.2302 -7.8520 -8.0624 PRESSURE: 4538000 -47.5316 -48.7276 -125.144 -48.7275 -162.14 121.171 -125.144 121.17 374.167 GPRESSURE: 4538000 -1.24755 -68.5808 -94.9676 46.8125 -84.7791 201.768 34.8131 126.07 364.729 PRESSAVG: 4538000 -107.046 -6.87196 -11.3225 -6.87197 66.4579 -17.8607 -11.3225 -17.8607 28.5765 GPRESSAVG: 4538000 -105.754 -7.59796 -11.721 -8.31122 65.5603 -16.7236 -13.1379 -17.4606 28.1724 TIMING: 4538000 CPU: 14420.8, 0.00314553/step Wall: 14420.8, 0.00314553/step, 0.403676 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4538000 3955.7482 20424.9291 14471.4607 227.4172 -203400.9070 2752.5705 0.0000 0.0000 51948.9382 -109619.8430 298.5513 -161568.7812 -109260.8229 298.4920 54.8318 92.9007 761793.9938 -4.0038 -4.0071 PRESSURE: 4538200 -166.317 23.314 -3.00631 23.3142 -55.345 239.048 -3.00647 239.049 22.1321 GPRESSURE: 4538200 -138.203 56.1319 53.3117 40.7784 1.35236 268.504 26.0824 91.1513 8.32784 PRESSAVG: 4538200 -65.2575 12.9716 38.8376 12.9716 17.6066 -10.14 38.8375 -10.1401 17.8137 GPRESSAVG: 4538200 -65.4284 16.0707 39.0184 13.6063 17.1666 -10.3542 39.2216 -13.1057 18.5072 TIMING: 4538200 CPU: 14421.5, 0.00323316/step Wall: 14421.5, 0.00323316/step, 0.414743 hours remaining, 237.640625 MB of memory in use. ENERGY: 4538200 4006.6507 20402.3875 14455.5314 256.0964 -203132.1760 2533.9828 0.0000 0.0000 51975.9096 -109501.6175 298.7063 -161477.5271 -109141.9465 298.0687 -66.5101 -42.8408 762825.2045 -9.9457 -9.9182 PRESSURE: 4538400 -65.8342 -94.6583 -2.31863 -94.6584 43.0058 -221.922 -2.31821 -221.922 407.905 GPRESSURE: 4538400 26.778 3.54196 -65.4527 -123.371 46.1922 -118.132 -56.8708 -164.11 414.338 PRESSAVG: 4538400 -37.5981 -4.00012 -35.3085 -4.00007 38.1159 30.6946 -35.3085 30.6946 28.2608 GPRESSAVG: 4538400 -36.3798 -7.18517 -35.2997 -2.21882 37.446 30.9952 -37.3497 34.2554 27.6012 TIMING: 4538400 CPU: 14422.1, 0.00315607/step Wall: 14422.1, 0.00315607/step, 0.404678 hours remaining, 237.640625 MB of memory in use. ENERGY: 4538400 3961.8284 20547.6284 14451.9636 257.5559 -203555.9827 2905.4863 0.0000 0.0000 52078.8157 -109352.7044 299.2977 -161431.5201 -108993.7692 298.9836 128.3589 162.4361 760841.2794 9.5929 9.5558 PRESSURE: 4538600 13.5514 -209.185 154.093 -209.185 15.6963 -10.2383 154.093 -10.2388 -109.725 GPRESSURE: 4538600 53.4165 -132.144 173.677 -42.843 36.9397 -38.4689 178.991 -109.803 -102.222 PRESSAVG: 4538600 -51.0804 -15.9845 -19.4255 -15.9845 39.9578 10.5897 -19.4255 10.5897 5.08257 GPRESSAVG: 4538600 -51.7796 -15.3769 -19.4244 -16.5646 41.2651 10.1856 -18.2211 8.78514 4.94911 TIMING: 4538600 CPU: 14422.8, 0.0032991/step Wall: 14422.8, 0.0032991/step, 0.422834 hours remaining, 237.640625 MB of memory in use. ENERGY: 4538600 3951.8605 20489.1304 14501.3894 232.4323 -203107.9437 2456.1241 0.0000 0.0000 52179.4602 -109297.5468 299.8761 -161477.0070 -108937.4718 300.0496 -26.8256 -3.9553 761515.4548 -2.0134 -1.8551 PRESSURE: 4538800 -108.672 197.21 62.3528 197.211 148.58 2.45548 62.3535 2.45594 -274.427 GPRESSURE: 4538800 -68.1215 48.8443 8.6625 15.1798 230.201 -25.9517 25.1647 -21.1426 -304.856 PRESSAVG: 4538800 -48.0834 -21.9461 40.5366 -21.946 4.88929 28.3526 40.5365 28.3526 -0.303005 GPRESSAVG: 4538800 -46.6302 -21.4374 41.155 -21.8506 4.04542 28.6455 39.7657 29.3648 -0.331392 TIMING: 4538800 CPU: 14423.4, 0.00314627/step Wall: 14423.4, 0.00314627/step, 0.403072 hours remaining, 237.640625 MB of memory in use. ENERGY: 4538800 3998.5142 20387.8660 14444.2464 235.9729 -203198.5134 2551.9487 0.0000 0.0000 52110.3300 -109469.6353 299.4788 -161579.9653 -109113.4660 299.2004 -78.1732 -47.5919 762432.4434 -14.4990 -14.3054 PRESSURE: 4539000 14.8442 -307.325 -90.0002 -307.325 -15.0052 -149.918 -90.0008 -149.917 -108.374 GPRESSURE: 4539000 85.3015 -185.192 -93.5707 -232.022 6.85636 -141.783 -60.3462 -34.1265 -111.48 PRESSAVG: 4539000 31.8558 -20.0387 -6.54893 -20.0387 -62.2396 32.5213 -6.54896 32.5213 0.321786 GPRESSAVG: 4539000 32.0679 -17.9861 -6.22009 -18.8385 -62.9629 31.5975 -5.92224 31.8343 0.90928 TIMING: 4539000 CPU: 14424, 0.00316404/step Wall: 14424, 0.00316404/step, 0.405172 hours remaining, 237.640625 MB of memory in use. ENERGY: 4539000 4064.4323 20499.9686 14498.2412 241.5897 -203330.8709 2713.9841 0.0000 0.0000 52102.5268 -109210.1283 299.4339 -161312.6551 -108852.9977 299.1912 -36.1784 -6.4407 762351.9737 -10.0207 -9.9953 PRESSURE: 4539200 -90.7795 41.2805 71.9889 41.2817 -22.1331 -108.239 71.9889 -108.24 -246.12 GPRESSURE: 4539200 -76.547 30.1327 -49.8101 62.5473 48.0278 -153.528 -31.0545 11.3617 -264.643 PRESSAVG: 4539200 -47.8038 -12.4377 -32.2082 -12.4377 21.5486 29.1406 -32.2082 29.1406 8.75558 GPRESSAVG: 4539200 -49.2848 -13.3734 -32.7316 -13.9927 23.2415 30.9727 -31.629 28.6177 9.11471 TIMING: 4539200 CPU: 14424.6, 0.00314806/step Wall: 14424.6, 0.00314806/step, 0.402951 hours remaining, 237.640625 MB of memory in use. ENERGY: 4539200 4075.1607 20337.5602 14513.2772 234.6997 -203051.1429 2536.0608 0.0000 0.0000 52127.2470 -109227.1373 299.5760 -161354.3843 -108871.5005 299.6720 -119.6775 -97.7209 763299.6093 -5.8332 -5.6429 PRESSURE: 4539400 -75.851 2.27694 -92.1109 2.27702 50.2118 -218.51 -92.111 -218.511 -155.917 GPRESSURE: 4539400 9.84484 -41.5294 -142.425 -20.1826 18.3702 -103.203 10.1535 -323.739 -148.363 PRESSAVG: 4539400 30.176 -36.103 4.36595 -36.103 -25.761 -42.3095 4.36599 -42.3094 -11.4885 GPRESSAVG: 4539400 30.5596 -38.0942 3.70809 -34.2828 -25.5746 -43.5052 5.02576 -40.4732 -11.918 TIMING: 4539400 CPU: 14425.3, 0.00316004/step Wall: 14425.3, 0.00316004/step, 0.404309 hours remaining, 237.640625 MB of memory in use. ENERGY: 4539400 3963.4783 20609.8581 14450.7725 261.7456 -203131.7153 2532.5421 0.0000 0.0000 52036.7181 -109276.6006 299.0557 -161313.3187 -108916.2827 299.3580 -60.5187 -40.0494 763736.2552 -2.3578 -2.3110 PRESSURE: 4539600 -138.427 -61.9917 -66.8244 -61.9921 -138.674 41.8532 -66.8242 41.8532 -19.6245 GPRESSURE: 4539600 -45.8711 -30.8494 -69.5 -1.39324 -153.184 55.8344 -67.2985 58.2096 2.6096 PRESSAVG: 4539600 -22.3184 -7.93264 67.9973 -7.93268 6.13133 26.4427 67.9972 26.4427 -9.66397 GPRESSAVG: 4539600 -22.0891 -6.24249 68.8773 -9.31358 4.8443 25.8819 68.1262 26.1979 -7.80232 TIMING: 4539600 CPU: 14425.9, 0.00315248/step Wall: 14425.9, 0.00315248/step, 0.403167 hours remaining, 237.640625 MB of memory in use. ENERGY: 4539600 3976.8584 20601.4910 14377.4975 234.7713 -203013.8153 2363.5543 0.0000 0.0000 52152.5360 -109307.1068 299.7213 -161459.6428 -108945.0575 299.3130 -98.9085 -65.4818 764031.2360 -8.6170 -8.3490 PRESSURE: 4539800 51.3341 89.6091 -74.8144 89.6087 57.4745 136.607 -74.814 136.608 106.653 GPRESSURE: 4539800 64.2772 133.589 -23.9818 21.0852 85.2696 79.708 -81.9198 60.6912 157.992 PRESSAVG: 4539800 -18.9114 -4.56293 16.1741 -4.56301 0.2143 68.8097 16.174 68.8097 -13.2944 GPRESSAVG: 4539800 -18.7404 -4.74482 16.4623 -5.18289 1.70457 68.0232 16.0785 69.9862 -14.1551 TIMING: 4539800 CPU: 14426.5, 0.00316531/step Wall: 14426.5, 0.00316531/step, 0.404633 hours remaining, 237.640625 MB of memory in use. ENERGY: 4539800 4045.4171 20554.1569 14450.6737 235.3054 -203708.5015 3049.9570 0.0000 0.0000 52093.4857 -109279.5057 299.3820 -161372.9914 -108928.1649 299.2769 71.8207 102.5128 762436.3597 -10.6638 -10.3970 PRESSURE: 4540000 -307.01 136.497 119.48 136.497 -415.9 63.225 119.481 63.2252 -160.249 GPRESSURE: 4540000 -325.091 76.0692 80.1417 151.501 -336.919 30.2297 118.393 13.1549 -164.508 PRESSAVG: 4540000 3.9227 9.84103 -44.8168 9.84102 -10.1512 29.7805 -44.8168 29.7804 -8.02926 GPRESSAVG: 4540000 2.70034 9.60248 -44.8578 9.36592 -7.72389 30.8902 -47.0106 28.2013 -9.16937 TIMING: 4540000 CPU: 14427.2, 0.00315225/step Wall: 14427.2, 0.00315225/step, 0.402787 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4540000 4029.0606 20545.4462 14378.6881 225.0903 -203125.0450 2436.8607 0.0000 0.0000 52064.6393 -109445.2597 299.2162 -161509.8990 -109087.8933 299.3704 -294.3867 -275.5059 763750.8088 -4.7526 -4.7310 PRESSURE: 4540200 -169.111 236.876 -1.95978 236.876 -358.692 195.662 -1.96028 195.662 -264.516 GPRESSURE: 4540200 -156.419 257.821 -31.2464 255.027 -308.797 174.669 49.52 102.053 -228.109 PRESSAVG: 4540200 3.71808 14.8372 6.2921 14.8372 -3.82433 -13.7877 6.29207 -13.7877 -17.7906 GPRESSAVG: 4540200 4.96367 17.1489 6.68796 14.2627 -6.81214 -13.2269 10.3224 -12.4756 -16.2902 TIMING: 4540200 CPU: 14427.8, 0.00315106/step Wall: 14427.8, 0.00315106/step, 0.402461 hours remaining, 237.640625 MB of memory in use. ENERGY: 4540200 4054.4681 20415.8194 14439.7019 229.6729 -203204.9005 2478.9354 0.0000 0.0000 52042.9680 -109543.3348 299.0917 -161586.3028 -109186.1271 299.0923 -264.1065 -231.1086 762377.2808 -5.9656 -6.0462 LDB: ============= START OF LOAD BALANCING ============== 14440.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14440.2 LDB: =============== DONE WITH MIGRATION ================ 14440.2 LDB: ============= START OF LOAD BALANCING ============== 14440.5 LDB: Largest compute 7057 load 0.034498 is 17.6% of average load 0.195956 LDB: Average compute 0.004400 is 2.2% of average load 0.195956 LDB: TIME 14440.5 LOAD: AVG 0.195956 MAX 0.218433 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 14440.5 LOAD: AVG 0.195956 MAX 0.218433 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 14440.5 LOAD: AVG 0.195956 MAX 0.218433 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 14440.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14440.5 PRESSURE: 4540400 52.1093 -206.06 -66.8617 -206.06 201.787 -117.371 -66.8619 -117.371 -159.618 GPRESSURE: 4540400 46.5865 -139.274 -134.074 -126.557 210.28 -152.316 -4.57706 -61.9868 -60.7928 PRESSAVG: 4540400 16.9398 -56.7487 24.6031 -56.7487 -13.7828 64.3189 24.603 64.3188 -6.04784 GPRESSAVG: 4540400 16.1614 -58.3704 23.8119 -54.0779 -12.9597 64.5735 23.2841 62.0031 -6.04286 TIMING: 4540400 CPU: 14428.4, 0.00321526/step Wall: 14428.4, 0.00321526/step, 0.410482 hours remaining, 238.414062 MB of memory in use. ENERGY: 4540400 4026.6516 20534.7749 14380.3045 242.4399 -203707.6088 2947.4188 0.0000 0.0000 51918.4765 -109657.5426 298.3762 -161576.0192 -109288.4594 299.3246 31.4262 65.3579 760729.2117 -0.9636 -0.9471 PRESSURE: 4540600 -23.5482 90.3166 47.9814 90.3171 -180.376 -16.9982 47.9809 -16.9983 -119.131 GPRESSURE: 4540600 6.42367 28.0343 133.323 28.3213 -114.8 -46.5599 36.0787 10.641 -143.144 PRESSAVG: 4540600 70.6917 -25.9253 10.257 -25.9252 -29.0105 40.2979 10.257 40.2979 1.84014 GPRESSAVG: 4540600 71.6441 -25.8215 10.6748 -27.9347 -29.9268 40.2676 7.464 42.424 1.51258 TIMING: 4540600 CPU: 14429.1, 0.00318963/step Wall: 14429.1, 0.00318963/step, 0.407032 hours remaining, 238.414062 MB of memory in use. ENERGY: 4540600 3999.7443 20546.8054 14328.9926 236.4045 -203491.4731 2545.5515 0.0000 0.0000 52178.9135 -109655.0614 299.8729 -161833.9748 -109296.1756 299.2843 -107.6850 -83.8404 761417.8999 14.5071 14.4100 PRESSURE: 4540800 62.7079 -229.436 12.1474 -229.436 -6.22559 -141.176 12.1466 -141.173 -193.634 GPRESSURE: 4540800 18.1834 -218.644 -3.98936 -197.626 97.732 -144.312 99.9232 -198.505 -181.604 PRESSAVG: 4540800 12.6017 -27.5701 -16.0577 -27.57 -26.5922 6.34496 -16.0577 6.34505 -17.2442 GPRESSAVG: 4540800 11.7251 -27.3686 -17.8356 -24.9863 -25.1801 6.12242 -14.0885 3.70316 -17.9691 TIMING: 4540800 CPU: 14429.7, 0.00318006/step Wall: 14429.7, 0.00318006/step, 0.405635 hours remaining, 238.414062 MB of memory in use. ENERGY: 4540800 3990.8837 20567.7717 14367.6613 235.5303 -203775.9586 2692.4211 0.0000 0.0000 52043.3782 -109878.3123 299.0940 -161921.6905 -109519.0627 299.2029 -45.7172 -21.8963 763022.9157 -10.4116 -10.4747 PRESSURE: 4541000 -11.7597 -221.854 -155.471 -221.852 158.697 95.2449 -155.471 95.246 650.685 GPRESSURE: 4541000 133.096 -147.939 -66.6377 -225.047 129.855 140.407 -217.307 173.165 603.966 PRESSAVG: 4541000 -28.1674 3.66527 -6.06102 3.66522 -16.2707 -9.11574 -6.061 -9.11569 -8.4773 GPRESSAVG: 4541000 -27.2962 3.11161 -4.32991 2.56054 -17.2176 -7.56069 -7.90606 -6.9045 -7.81327 TIMING: 4541000 CPU: 14430.4, 0.00316591/step Wall: 14430.4, 0.00316591/step, 0.403654 hours remaining, 238.414062 MB of memory in use. ENERGY: 4541000 3847.3958 20612.9857 14462.7156 241.5435 -203999.1931 3076.1295 0.0000 0.0000 52074.3677 -109684.0553 299.2721 -161758.4230 -109305.9530 298.9139 265.8742 288.9725 760562.9594 -17.6385 -17.4424 PRESSURE: 4541200 62.101 -82.0217 13.3818 -82.0224 -57.7093 114.222 13.3814 114.222 -63.8905 GPRESSURE: 4541200 87.2871 25.449 -4.06767 -152.224 7.12062 142.044 95.3829 267.517 -69.3393 PRESSAVG: 4541200 26.4393 -61.969 2.0198 -61.969 -17.1947 60.6611 2.01978 60.6611 7.90553 GPRESSAVG: 4541200 25.5534 -61.9025 -0.46269 -61.5707 -17.3091 58.4802 4.58401 61.6374 8.7233 TIMING: 4541200 CPU: 14431, 0.00317811/step Wall: 14431, 0.00317811/step, 0.405032 hours remaining, 238.414062 MB of memory in use. ENERGY: 4541200 3940.5351 20593.6356 14406.4394 222.0674 -203054.9887 2363.6568 0.0000 0.0000 51855.6975 -109672.9568 298.0154 -161528.6543 -109320.6090 299.0424 -19.8329 8.3561 759575.0017 5.7167 5.6559 PRESSURE: 4541400 352.668 -3.68341 -277.268 -3.68378 213.25 -98.0624 -277.268 -98.0623 289.487 GPRESSURE: 4541400 412.835 -10.3921 -217.856 -40.0258 245.932 -67.7483 -252.554 -17.1486 279.469 PRESSAVG: 4541400 6.11364 -36.3759 0.821216 -36.3759 6.40284 77.2869 0.821166 77.2869 -11.7494 GPRESSAVG: 4541400 6.29616 -36.3997 3.83082 -36.7569 6.81424 78.3687 0.290015 74.6295 -13.1977 TIMING: 4541400 CPU: 14431.6, 0.00316491/step Wall: 14431.6, 0.00316491/step, 0.403175 hours remaining, 238.414062 MB of memory in use. ENERGY: 4541400 4043.9849 20559.0982 14311.0693 257.1494 -203491.1890 2654.5847 0.0000 0.0000 51979.2768 -109686.0256 298.7256 -161665.3024 -109334.7246 298.7948 285.1348 312.7454 759795.2298 0.2557 -0.0291 PRESSURE: 4541600 -184.446 -42.8303 -19.9441 -42.8299 -318.096 18.94 -19.9437 18.9409 -238.483 GPRESSURE: 4541600 -197.657 55.2098 40.0091 34.9089 -322.918 -15.8643 -6.68425 -68.011 -132.317 PRESSAVG: 4541600 42.8074 3.1307 33.7885 3.13073 -37.2937 35.0857 33.7884 35.0857 1.15388 GPRESSAVG: 4541600 43.5638 2.9234 33.4458 4.94267 -38.3936 35.2219 33.0035 33.7438 1.31163 TIMING: 4541600 CPU: 14432.3, 0.00318244/step Wall: 14432.3, 0.00318244/step, 0.405231 hours remaining, 238.414062 MB of memory in use. ENERGY: 4541600 4049.8165 20508.7095 14419.5456 239.3256 -203164.7196 2129.0432 0.0000 0.0000 52027.1184 -109791.1607 299.0006 -161818.2791 -109436.6879 298.7100 -247.0083 -217.6303 761592.2097 2.2225 2.1606 PRESSURE: 4541800 -70.7013 -21.2587 -188.079 -21.2581 -223.853 -95.8992 -188.079 -95.8997 -313.922 GPRESSURE: 4541800 5.20022 -146.836 -188.472 -63.8952 -238.261 -36.6476 -94.5494 -70.816 -282.618 PRESSAVG: 4541800 35.3823 -20.9198 35.8082 -20.9198 -41.7585 9.45301 35.8082 9.45302 -0.699667 GPRESSAVG: 4541800 33.7749 -21.1417 36.2448 -24.053 -40.9996 9.266 35.7185 10.0403 0.0571034 TIMING: 4541800 CPU: 14432.9, 0.00318682/step Wall: 14432.9, 0.00318682/step, 0.405611 hours remaining, 238.414062 MB of memory in use. ENERGY: 4541800 4034.3863 20541.7521 14459.8762 256.0895 -203265.6196 2352.2687 0.0000 0.0000 51802.3974 -109818.8493 297.7091 -161621.2468 -109465.4650 298.6912 -202.8254 -171.8930 762107.5968 -2.3586 -2.3892 PRESSURE: 4542000 69.7327 -106.766 76.1598 -106.766 -103.716 73.2701 76.1588 73.2706 -96.3988 GPRESSURE: 4542000 156.28 -30.5396 141.934 -135.196 -108.52 90.4514 53.3892 70.2657 -77.5323 PRESSAVG: 4542000 79.6288 29.8502 -2.32584 29.8502 -16.0538 -58.3284 -2.32587 -58.3284 -4.94447 GPRESSAVG: 4542000 80.8556 30.4902 -3.10973 30.8124 -16.0987 -59.7754 -3.46344 -55.0891 -5.8364 TIMING: 4542000 CPU: 14433.5, 0.00315122/step Wall: 14433.5, 0.00315122/step, 0.400905 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4542000 3907.7303 20476.8110 14487.8422 248.0374 -203398.3057 2498.4446 0.0000 0.0000 51908.9580 -109870.4822 298.3215 -161779.4402 -109513.5797 298.7689 -43.4608 -9.9241 760143.9630 19.5435 19.6402 PRESSURE: 4542200 -253.279 6.84564 211.454 6.84435 -433.484 -20.8258 211.454 -20.825 -212.514 GPRESSURE: 4542200 -204.926 52.1114 227.774 -68.1158 -364.143 -78.2738 275.089 -10.4373 -224.686 PRESSAVG: 4542200 56.2872 -13.3123 -5.5093 -13.3123 -74.3471 -1.31998 -5.50936 -1.31998 17.3606 GPRESSAVG: 4542200 55.3713 -12.9073 -6.73692 -12.7005 -74.628 -0.411655 -3.14845 -2.11838 18.3757 TIMING: 4542200 CPU: 14434.2, 0.00315369/step Wall: 14434.2, 0.00315369/step, 0.401044 hours remaining, 238.414062 MB of memory in use. ENERGY: 4542200 3992.1034 20488.3457 14379.0971 251.9345 -203140.1005 2345.1658 0.0000 0.0000 51940.7991 -109742.6549 298.5045 -161683.4540 -109382.5137 298.4950 -299.7590 -264.5850 762336.0114 -0.2331 -0.2937 PRESSURE: 4542400 -211.822 3.24163 -141.063 3.24099 57.4393 99.6933 -141.063 99.6937 16.2311 GPRESSURE: 4542400 -138.514 -37.9121 -293.259 -96.9203 -15.4993 10.3956 -60.9655 123.858 75.175 PRESSAVG: 4542400 24.574 -2.76704 -35.403 -2.76706 -27.7005 -30.7377 -35.403 -30.7376 6.92187 GPRESSAVG: 4542400 25.098 -2.68984 -35.3603 -3.02667 -28.0598 -31.2283 -35.4907 -32.5116 7.11595 TIMING: 4542400 CPU: 14434.8, 0.00317212/step Wall: 14434.8, 0.00317212/step, 0.403212 hours remaining, 238.414062 MB of memory in use. ENERGY: 4542400 3962.1186 20479.1674 14384.3607 254.5992 -203504.2881 2532.0108 0.0000 0.0000 52140.7715 -109751.2598 299.6537 -161892.0314 -109387.4384 298.6024 -46.0507 -26.2795 763524.1625 1.2651 1.3847 PRESSURE: 4542600 -50.6718 254.862 -75.8638 254.861 -257.598 -93.987 -75.8636 -93.9853 129.094 GPRESSURE: 4542600 -7.00031 318.555 -114.727 212.578 -233.795 -107.019 -8.49465 11.4348 146.408 PRESSAVG: 4542600 17.8712 -28.4399 -26.1584 -28.4399 -11.4984 2.22142 -26.1584 2.22146 -12.7498 GPRESSAVG: 4542600 18.9261 -29.4575 -24.561 -27.6031 -11.5829 1.61431 -26.4221 5.1854 -13.7116 TIMING: 4542600 CPU: 14435.4, 0.00316492/step Wall: 14435.4, 0.00316492/step, 0.402121 hours remaining, 238.414062 MB of memory in use. ENERGY: 4542600 3957.6609 20694.9602 14384.7671 243.0683 -203539.7479 2647.3657 0.0000 0.0000 51826.1802 -109785.7455 297.8458 -161611.9257 -109440.3245 298.5991 -59.7250 -31.4623 761977.1605 -2.1257 -2.1228 PRESSURE: 4542800 -352.861 -96.5863 58.3149 -96.5879 -334.052 -41.6602 58.3152 -41.6602 -204.898 GPRESSURE: 4542800 -290.355 -37.7241 22.3124 -82.9011 -345.976 -41.8295 60.4078 -70.5804 -150.714 PRESSAVG: 4542800 6.24737 0.968285 -20.2535 0.968309 -11.3235 46.3436 -20.2536 46.3435 -7.68152 GPRESSAVG: 4542800 5.57362 1.42398 -20.3622 -0.387368 -9.83556 45.9691 -20.4012 45.8533 -8.34621 TIMING: 4542800 CPU: 14436.1, 0.00315288/step Wall: 14436.1, 0.00315288/step, 0.400416 hours remaining, 238.414062 MB of memory in use. ENERGY: 4542800 3971.8496 20401.5987 14380.5485 245.3608 -203239.7032 2287.0377 0.0000 0.0000 52104.9601 -109848.3479 299.4479 -161953.3080 -109479.1613 298.2276 -297.2703 -262.3485 760473.2644 -4.2525 -4.2027 PRESSURE: 4543000 70.2854 34.4818 11.3083 34.4811 460.764 13.0943 11.309 13.0928 327.919 GPRESSURE: 4543000 86.6467 -32.0893 -16.6386 44.2567 538.927 70.5842 102.523 -44.9489 316.25 PRESSAVG: 4543000 13.3173 40.8794 2.5005 40.8794 -26.69 30.4889 2.50055 30.4889 -14.9024 GPRESSAVG: 4543000 12.6438 41.941 1.90225 38.3139 -28.2158 31.6279 2.45459 30.6271 -13.1454 TIMING: 4543000 CPU: 14436.7, 0.00315704/step Wall: 14436.7, 0.00315704/step, 0.400769 hours remaining, 238.414062 MB of memory in use. ENERGY: 4543000 3967.2388 20477.2774 14503.3573 250.5874 -203945.2233 2797.3815 0.0000 0.0000 52148.9848 -109800.3961 299.7009 -161949.3809 -109450.5095 298.4469 286.3229 313.9414 759975.7922 -9.4250 -9.5725 PRESSURE: 4543200 -125.565 -114.334 -273.203 -114.335 -145.163 108.655 -273.203 108.657 -186.472 GPRESSURE: 4543200 -46.1124 -50.3237 -241.757 -179.017 -97.7162 45.3948 -228.272 139.868 -211.833 PRESSAVG: 4543200 24.6208 -13.0134 -7.94426 -13.0134 -4.18354 18.7966 -7.94433 18.7966 20.1302 GPRESSAVG: 4543200 25.0534 -13.4774 -7.92042 -11.1392 -4.10752 18.1764 -8.88907 19.3056 19.3341 TIMING: 4543200 CPU: 14437.3, 0.00316673/step Wall: 14437.3, 0.00316673/step, 0.401823 hours remaining, 238.414062 MB of memory in use. ENERGY: 4543200 3937.5678 20459.1757 14459.8755 237.0205 -203359.8692 2428.9081 0.0000 0.0000 51876.6459 -109960.6757 298.1358 -161837.3216 -109608.5627 298.2686 -152.4001 -118.5539 761137.8209 13.5225 13.4266 PRESSURE: 4543400 -95.8692 -129.497 -178.379 -129.496 132.134 -0.643652 -178.379 -0.644789 113.251 GPRESSURE: 4543400 -55.5508 -78.6356 -225.632 -62.6283 180.708 -30.9812 -58.5655 36.8113 109.858 PRESSAVG: 4543400 12.0221 23.2515 -47.1256 23.2515 -34.208 -8.52965 -47.1256 -8.52958 8.34648 GPRESSAVG: 4543400 12.5089 22.4619 -47.9838 25.432 -34.3348 -6.50858 -45.7442 -10.9569 8.07839 TIMING: 4543400 CPU: 14438, 0.00319212/step Wall: 14438, 0.00319212/step, 0.404868 hours remaining, 238.414062 MB of memory in use. ENERGY: 4543400 3939.6744 20512.0189 14389.5483 249.8600 -203397.1564 2391.3565 0.0000 0.0000 52089.8723 -109824.8261 299.3612 -161914.6984 -109457.2904 298.3476 49.8386 78.3386 760194.1128 -4.6131 -4.5825 PRESSURE: 4543600 9.60416 -15.8361 -145.849 -15.8361 -35.8891 123.679 -145.849 123.68 -155.833 GPRESSURE: 4543600 -8.7462 -74.0609 -139.709 -59.2202 -52.2758 51.0175 -106.894 41.9138 -36.0085 PRESSAVG: 4543600 -12.6169 -1.19845 2.50399 -1.19839 60.391 17.0692 2.50396 17.0692 -31.134 GPRESSAVG: 4543600 -13.483 -2.53962 2.6127 -1.92324 59.8689 15.8166 1.41103 17.4295 -29.7978 TIMING: 4543600 CPU: 14438.6, 0.00316886/step Wall: 14438.6, 0.00316886/step, 0.401741 hours remaining, 238.414062 MB of memory in use. ENERGY: 4543600 3930.3225 20492.2109 14446.1830 226.6780 -203772.1865 2623.5649 0.0000 0.0000 52039.8946 -110013.3327 299.0740 -162053.2273 -109651.9291 298.9743 -60.7061 -32.3435 759994.5464 5.5467 5.5294 PRESSURE: 4543800 -114.367 -168.406 -166.298 -168.407 -179.585 30.9673 -166.297 30.9669 128.25 GPRESSURE: 4543800 -129.083 -28.4489 -200.492 -166.815 -107.793 15.7067 -120.735 84.396 187.415 PRESSAVG: 4543800 -15.9866 -6.97191 -31.3331 -6.97183 -8.51554 -8.382 -31.333 -8.38198 35.3462 GPRESSAVG: 4543800 -16.4724 -5.7949 -32.0978 -7.65612 -7.02859 -7.3389 -30.8841 -7.56427 34.2131 TIMING: 4543800 CPU: 14439.2, 0.00315229/step Wall: 14439.2, 0.00315229/step, 0.399466 hours remaining, 238.414062 MB of memory in use. ENERGY: 4543800 3909.0760 20324.2008 14476.7232 260.2402 -203566.9485 2410.2626 0.0000 0.0000 51964.0626 -110222.3832 298.6382 -162186.4458 -109858.1173 297.8784 -55.2340 -16.4870 759030.2314 3.6147 3.5707 PRESSURE: 4544000 81.2969 -180.622 153.251 -180.621 -591.607 315.036 153.25 315.037 32.2498 GPRESSURE: 4544000 95.177 -238.444 129.53 -175.163 -551.831 282.647 204.829 366.36 66.7348 PRESSAVG: 4544000 8.05772 -19.6711 -20.3656 -19.6711 77.891 -37.2689 -20.3656 -37.2688 -41.4315 GPRESSAVG: 4544000 9.24974 -20.1333 -19.9217 -19.2135 76.3078 -38.6753 -21.5214 -37.1564 -40.9834 TIMING: 4544000 CPU: 14439.9, 0.00317325/step Wall: 14439.9, 0.00317325/step, 0.401945 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4544000 3942.7980 20295.6137 14483.1837 239.3661 -204073.5106 2781.2444 0.0000 0.0000 52183.0017 -110148.3030 299.8964 -162331.3047 -109774.5675 298.3446 -159.3535 -129.9732 758093.0063 14.8391 14.8581 PRESSURE: 4544200 -272.979 -58.0503 -152.07 -58.0505 -60.8065 -165.77 -152.071 -165.769 -275.718 GPRESSURE: 4544200 -201.408 -37.5183 -93.9151 -92.9063 -36.6525 -180.499 -115.387 -61.0684 -277.838 PRESSAVG: 4544200 -52.5512 -39.1796 -39.9446 -39.1797 26.3523 11.8794 -39.9447 11.8794 -8.0133 GPRESSAVG: 4544200 -53.804 -38.2357 -37.6055 -38.0745 28.683 12.8902 -38.2286 12.9862 -9.2001 TIMING: 4544200 CPU: 14440.5, 0.00317628/step Wall: 14440.5, 0.00317628/step, 0.402153 hours remaining, 238.414062 MB of memory in use. ENERGY: 4544200 3945.0588 20315.1174 14384.2006 247.6671 -203059.3367 2297.0548 0.0000 0.0000 51757.5383 -110112.6998 297.4513 -161870.2381 -109762.7646 297.3757 -203.1679 -171.9662 761131.5295 -11.4041 -11.4404 LDB: ============= START OF LOAD BALANCING ============== 14452.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14452.9 LDB: =============== DONE WITH MIGRATION ================ 14452.9 LDB: ============= START OF LOAD BALANCING ============== 14453.2 LDB: Largest compute 7076 load 0.035366 is 18.0% of average load 0.196009 LDB: Average compute 0.004401 is 2.2% of average load 0.196009 LDB: TIME 14453.2 LOAD: AVG 0.196009 MAX 0.223644 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 14453.2 LOAD: AVG 0.196009 MAX 0.223644 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 14453.2 LOAD: AVG 0.196009 MAX 0.223644 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 14453.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14453.2 PRESSURE: 4544400 -504.549 -52.234 -57.0509 -52.234 -96.9928 -24.449 -57.0504 -24.4488 -304.656 GPRESSURE: 4544400 -371.586 -131.931 -57.4978 30.7972 -119.737 -26.2442 -131.689 -8.88973 -353.349 PRESSAVG: 4544400 34.9886 -76.6063 -76.1 -76.6064 -23.412 -49.964 -76.0999 -49.964 -10.7978 GPRESSAVG: 4544400 34.7155 -76.4432 -76.9985 -76.5124 -23.8286 -51.2045 -75.2327 -50.4556 -9.71862 TIMING: 4544400 CPU: 14441.1, 0.00324682/step Wall: 14441.1, 0.00324682/step, 0.410903 hours remaining, 238.875000 MB of memory in use. ENERGY: 4544400 4020.7438 20414.7015 14469.2416 237.0752 -203735.1381 2604.7354 0.0000 0.0000 51980.5906 -110008.0501 298.7332 -161988.6407 -109655.8634 297.8223 -302.0661 -281.5572 762950.8985 0.2596 0.3894 PRESSURE: 4544600 -106.785 -212.179 -63.1922 -212.179 -63.4134 317.344 -63.1924 317.345 70.7888 GPRESSURE: 4544600 -17.7231 -196.571 8.96071 -131.238 -132.97 169.049 -141.076 313.273 134.985 PRESSAVG: 4544600 19.4073 -60.6032 -81.054 -60.6032 -0.418851 59.491 -81.054 59.491 12.9322 GPRESSAVG: 4544600 19.628 -61.1976 -82.1522 -61.2992 -1.1165 59.9338 -83.3103 57.5852 13.457 TIMING: 4544600 CPU: 14441.8, 0.00316245/step Wall: 14441.8, 0.00316245/step, 0.400049 hours remaining, 238.875000 MB of memory in use. ENERGY: 4544600 3900.6269 20454.4740 14362.9124 232.5459 -203113.2385 2322.7732 0.0000 0.0000 51785.1760 -110054.7301 297.6101 -161839.9061 -109693.4139 298.1219 -33.1367 -5.2361 762370.6519 10.6402 10.6562 PRESSURE: 4544800 -252.025 -174.958 -90.7142 -174.957 -329.45 79.3388 -90.7146 79.3383 16.8506 GPRESSURE: 4544800 -171.257 -127.383 -139.022 -26.8201 -250.817 81.6201 -85.4089 46.597 -51.7477 PRESSAVG: 4544800 -9.38197 -48.7073 -38.3988 -48.7073 -18.1021 50.5537 -38.3988 50.5538 0.915963 GPRESSAVG: 4544800 -7.58539 -47.9891 -37.6852 -49.4996 -18.0356 51.9501 -38.7513 52.1003 -0.339067 TIMING: 4544800 CPU: 14442.4, 0.00317014/step Wall: 14442.4, 0.00317014/step, 0.400847 hours remaining, 238.875000 MB of memory in use. ENERGY: 4544800 3915.0143 20260.9845 14409.4123 214.3842 -203496.9807 2362.2289 0.0000 0.0000 52047.6517 -110287.3048 299.1186 -162334.9565 -109931.9027 298.0576 -188.2080 -157.9405 760980.2784 -8.8560 -8.6533 PRESSURE: 4545000 -68.8574 21.3984 36.7711 21.398 171.781 -289.317 36.7711 -289.318 29.3977 GPRESSURE: 4545000 -143.523 -47.1556 106.077 7.69752 298.821 -169.461 1.13011 -300.122 40.8236 PRESSAVG: 4545000 10.7496 -14.1423 17.6726 -14.1423 3.65801 26.1298 17.6726 26.1299 2.40944 GPRESSAVG: 4545000 9.52087 -15.9038 18.0628 -13.1936 3.21869 26.669 18.2729 25.6149 3.10455 TIMING: 4545000 CPU: 14443, 0.00314212/step Wall: 14443, 0.00314212/step, 0.397128 hours remaining, 238.875000 MB of memory in use. ENERGY: 4545000 4008.9285 20396.6241 14332.6435 223.8152 -203280.4297 2439.8192 0.0000 0.0000 51818.1741 -110060.4251 297.7998 -161878.5992 -109715.2250 298.1167 44.1070 65.3737 760971.8766 5.6057 5.2814 PRESSURE: 4545200 230.574 7.52548 -130.724 7.52542 -1.91923 167.865 -130.724 167.865 33.2815 GPRESSURE: 4545200 236.987 69.9748 -65.1754 1.84198 104.647 216.288 -64.7504 99.5875 5.3218 PRESSAVG: 4545200 53.8158 -15.8185 5.67 -15.8185 -51.3231 -7.74479 5.67002 -7.7448 -11.136 GPRESSAVG: 4545200 53.6054 -16.3122 6.77669 -13.7121 -51.6596 -8.57211 2.9946 -7.50729 -10.4112 TIMING: 4545200 CPU: 14443.7, 0.00314759/step Wall: 14443.7, 0.00314759/step, 0.397646 hours remaining, 238.875000 MB of memory in use. ENERGY: 4545200 3980.7224 20346.5162 14473.0675 250.2717 -203839.9004 2721.3021 0.0000 0.0000 52090.4237 -109977.5969 299.3644 -162068.0205 -109623.6217 298.4528 87.3122 115.6520 760209.5906 -2.8811 -2.8218 PRESSURE: 4545400 -58.5075 -81.8837 3.56591 -81.8839 276.994 -165.684 3.56601 -165.684 -470.328 GPRESSURE: 4545400 -101.111 -5.55457 -106.771 -114.268 316.044 -58.9715 15.6312 -88.5427 -375.353 PRESSAVG: 4545400 4.76585 24.2952 -7.43107 24.2951 -40.7664 -27.3991 -7.43103 -27.3991 8.79758 GPRESSAVG: 4545400 4.85234 26.6118 -9.48047 20.2484 -39.5636 -26.6366 -6.967 -27.5286 7.80696 TIMING: 4545400 CPU: 14444.3, 0.00315739/step Wall: 14444.3, 0.00315739/step, 0.398708 hours remaining, 238.875000 MB of memory in use. ENERGY: 4545400 4038.0279 20485.0230 14417.7082 238.3795 -203648.6027 2520.8456 0.0000 0.0000 52054.4851 -109894.1335 299.1578 -161948.6186 -109526.3225 298.6965 -83.9473 -53.4735 761074.2836 -9.0677 -8.9681 PRESSURE: 4545600 -42.9165 -9.32588 -32.665 -9.32613 45.8808 -14.0874 -32.6664 -14.0878 -1.94814 GPRESSURE: 4545600 76.3892 -175.197 -9.18457 97.3285 -13.9893 -131.844 -113.162 37.7055 22.9323 PRESSAVG: 4545600 15.6909 3.40768 -18.5825 3.40769 15.8625 -15.4624 -18.5825 -15.4624 -0.2257 GPRESSAVG: 4545600 15.6646 2.57687 -16.8849 5.18407 16.0399 -15.7265 -17.733 -14.0312 0.0099852 TIMING: 4545600 CPU: 14444.9, 0.003161/step Wall: 14444.9, 0.003161/step, 0.398988 hours remaining, 238.875000 MB of memory in use. ENERGY: 4545600 4011.2473 20653.3158 14421.5536 250.2234 -203776.7643 2858.2846 0.0000 0.0000 51732.9971 -109849.1426 297.3102 -161582.1397 -109492.5476 298.8792 0.3387 28.4441 758933.0768 10.4426 10.5715 PRESSURE: 4545800 -177.745 -93.535 52.2927 -93.5354 -28.0694 57.8373 52.2934 57.8376 606.695 GPRESSURE: 4545800 -121.627 -199.704 80.0239 -148.56 48.9538 58.6615 83.9034 -130.797 560.036 PRESSAVG: 4545800 -13.3987 -3.46334 -10.1874 -3.46337 27.9874 2.99854 -10.1874 2.99849 13.4738 GPRESSAVG: 4545800 -12.8001 -3.32205 -10.4292 -4.66633 27.5661 1.74984 -8.7523 1.60682 12.6371 TIMING: 4545800 CPU: 14445.6, 0.00317569/step Wall: 14445.6, 0.00317569/step, 0.400666 hours remaining, 238.875000 MB of memory in use. ENERGY: 4545800 3929.6120 20526.6535 14440.8064 247.1096 -204016.2995 2656.8017 0.0000 0.0000 52432.0873 -109783.2290 301.3279 -162215.3164 -109411.5084 299.3373 133.6269 162.4540 757647.5788 9.3541 9.1344 PRESSURE: 4546000 -23.4352 -127.022 -68.5988 -127.023 8.20322 16.0731 -68.5987 16.0727 374.972 GPRESSURE: 4546000 23.3431 -28.8868 -128.328 -59.006 57.8792 131.441 3.28354 38.9136 395.506 PRESSAVG: 4546000 6.10091 -43.0234 8.51245 -43.0235 12.5472 10.0128 8.5125 10.0128 12.609 GPRESSAVG: 4546000 5.27716 -43.1249 7.2849 -42.5437 12.008 10.6924 8.85902 8.44704 13.2276 TIMING: 4546000 CPU: 14446.2, 0.00316134/step Wall: 14446.2, 0.00316134/step, 0.39868 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4546000 3987.0895 20503.9072 14464.9502 266.7510 -203777.3670 2967.2046 0.0000 0.0000 51951.2566 -109636.2080 298.5646 -161587.4645 -109281.8026 299.0928 119.9134 158.9093 760397.5320 10.4190 10.1709 PRESSURE: 4546200 -157.592 -3.82442 230.626 -3.82364 66.783 144.731 230.626 144.731 128.012 GPRESSURE: 4546200 -111.594 -67.15 297.893 78.7716 48.7099 168.297 141.788 50.5198 186.94 PRESSAVG: 4546200 5.49694 -3.032 55.5387 -3.0319 30.6454 6.27526 55.5388 6.27525 0.108384 GPRESSAVG: 4546200 6.14346 -3.89607 56.4961 -2.64747 29.556 4.79785 54.4055 8.15282 0.417778 TIMING: 4546200 CPU: 14446.8, 0.00315439/step Wall: 14446.8, 0.00315439/step, 0.397628 hours remaining, 238.875000 MB of memory in use. ENERGY: 4546200 4022.2890 20440.2529 14442.9380 242.9421 -203580.2721 2800.3199 0.0000 0.0000 52087.3886 -109544.1416 299.3469 -161631.5301 -109176.8788 299.1263 12.4012 41.3520 761403.3271 12.0836 12.0391 PRESSURE: 4546400 -158.731 -0.452496 21.1634 -0.453046 -466.935 -90.8517 21.1629 -90.8512 28.352 GPRESSURE: 4546400 -135.992 7.63323 24.0813 -15.9876 -403.782 -125.048 -27.8046 18.9193 28.4165 PRESSAVG: 4546400 -23.7587 -3.88411 39.5254 -3.88411 10.7464 -42.0506 39.5254 -42.0505 -1.44688 GPRESSAVG: 4546400 -24.4486 -2.92822 39.6962 -3.09284 10.8777 -41.4224 41.4798 -44.3515 -1.31048 TIMING: 4546400 CPU: 14447.5, 0.00318883/step Wall: 14447.5, 0.00318883/step, 0.401793 hours remaining, 238.875000 MB of memory in use. ENERGY: 4546400 3987.3633 20603.3192 14411.2133 227.3125 -203585.3670 2569.2418 0.0000 0.0000 52164.3687 -109622.5481 299.7893 -161786.9168 -109259.6762 299.1881 -199.1046 -170.4525 761085.2445 -4.8197 -4.9604 PRESSURE: 4546600 43.9011 -58.0254 -38.0873 -58.0246 -316.927 42.8317 -38.0867 42.8325 -244.744 GPRESSURE: 4546600 67.7589 -47.2825 -68.645 -67.9915 -291.579 58.5249 50.1548 -55.5281 -189.844 PRESSAVG: 4546600 -47.5975 21.5245 34.6795 21.5245 15.7185 37.248 34.6796 37.2481 8.10537 GPRESSAVG: 4546600 -48.1343 22.2377 34.086 19.1987 16.3942 39.2036 31.9698 36.3649 8.09229 TIMING: 4546600 CPU: 14448.1, 0.00315993/step Wall: 14448.1, 0.00315993/step, 0.397976 hours remaining, 238.875000 MB of memory in use. ENERGY: 4546600 4004.3143 20437.3273 14430.7870 237.9706 -203344.5316 2370.6894 0.0000 0.0000 52154.3939 -109709.0491 299.7320 -161863.4429 -109338.1681 299.4132 -172.5901 -137.8882 760772.0170 -7.9245 -7.8826 PRESSURE: 4546800 -116.092 108.789 128.499 108.789 -314.269 -41.0072 128.5 -41.007 -442.479 GPRESSURE: 4546800 -85.9534 106.5 113.203 89.8814 -278.861 -88.2591 178.208 -41.4148 -410.861 PRESSAVG: 4546800 16.8387 -1.98657 43.7208 -1.98654 0.842199 32.7039 43.7207 32.7039 -17.8308 GPRESSAVG: 4546800 18.1064 -0.22794 44.012 -2.22918 0.394292 32.0508 44.8252 32.1108 -18.8615 TIMING: 4546800 CPU: 14448.7, 0.0031479/step Wall: 14448.7, 0.0031479/step, 0.396286 hours remaining, 238.875000 MB of memory in use. ENERGY: 4546800 4038.9828 20342.4748 14422.0925 226.7746 -203612.8252 2553.3208 0.0000 0.0000 52275.8767 -109753.3031 300.4302 -162029.1798 -109380.5814 299.0024 -290.9469 -258.5586 761269.6501 -0.0500 -0.1202 PRESSURE: 4547000 -188.282 -62.2268 152.194 -62.2271 -118.763 -137.644 152.194 -137.644 56.4991 GPRESSURE: 4547000 -223.03 -35.0451 209.494 -72.0104 -82.4108 -101.553 298.376 -149.656 140.62 PRESSAVG: 4547000 -87.9718 12.9326 59.5964 12.9326 54.0838 14.6462 59.5965 14.6461 -7.9986 GPRESSAVG: 4547000 -89.1093 11.0939 61.3849 13.2458 54.2479 13.5829 60.1583 17.9112 -7.1383 TIMING: 4547000 CPU: 14449.4, 0.00317872/step Wall: 14449.4, 0.00317872/step, 0.399989 hours remaining, 238.875000 MB of memory in use. ENERGY: 4547000 4066.7193 20587.6881 14385.5434 244.6914 -203745.9069 2612.5585 0.0000 0.0000 52051.4223 -109797.2839 299.1402 -161848.7062 -109439.5056 299.1217 -83.5156 -54.9405 759865.5691 -13.9622 -13.9999 PRESSURE: 4547200 40.4558 -24.0424 69.4332 -24.0422 343.752 -291.479 69.4323 -291.478 -50.1844 GPRESSURE: 4547200 106.199 -47.9636 2.92535 -11.3084 413.196 -195.388 57.9313 -280.121 -104.313 PRESSAVG: 4547200 -48.3978 27.1377 10.9492 27.1377 58.3385 -71.2382 10.9492 -71.2382 18.1475 GPRESSAVG: 4547200 -48.457 27.3394 11.3617 27.9597 58.4314 -70.2641 11.708 -71.5627 17.6762 TIMING: 4547200 CPU: 14450, 0.00317677/step Wall: 14450, 0.00317677/step, 0.399567 hours remaining, 238.875000 MB of memory in use. ENERGY: 4547200 4025.9934 20510.4573 14453.3779 265.5433 -203897.0304 2804.8067 0.0000 0.0000 51831.3235 -110005.5282 297.8753 -161836.8518 -109651.5337 298.9503 111.3413 138.3606 761324.6519 9.3627 9.2169 PRESSURE: 4547400 102.609 -180.009 163.521 -180.01 310.305 150.272 163.521 150.274 86.4477 GPRESSURE: 4547400 113.346 -133.627 213.987 -264.118 355.489 131.23 53.1333 20.5876 102.098 PRESSAVG: 4547400 5.53654 -6.36471 5.75908 -6.36479 7.92654 -19.2836 5.75902 -19.2836 -6.50629 GPRESSAVG: 4547400 4.65702 -4.68956 5.41299 -6.96104 7.84861 -21.7237 5.1062 -22.2101 -5.86115 TIMING: 4547400 CPU: 14450.6, 0.00316591/step Wall: 14450.6, 0.00316591/step, 0.398026 hours remaining, 238.875000 MB of memory in use. ENERGY: 4547400 3931.5907 20550.5891 14511.0054 246.8208 -203490.8017 2578.7602 0.0000 0.0000 51996.5354 -109675.5001 298.8248 -161672.0355 -109300.7994 298.6331 166.4540 190.3112 759613.7381 2.3189 2.2148 PRESSURE: 4547600 28.2831 61.1002 -155.968 61.1 -15.367 192.924 -155.968 192.924 -23.9807 GPRESSURE: 4547600 141.089 60.4642 -226.959 4.62596 -33.7255 168.552 -257.106 212.77 -61.7156 PRESSAVG: 4547600 -53.2719 14.7242 10.4348 14.7242 10.8478 -22.1856 10.4348 -22.1856 1.02864 GPRESSAVG: 4547600 -53.3052 15.5354 7.39254 14.9861 11.2866 -20.2855 13.2284 -19.2867 0.317282 TIMING: 4547600 CPU: 14451.3, 0.00315467/step Wall: 14451.3, 0.00315467/step, 0.396437 hours remaining, 238.875000 MB of memory in use. ENERGY: 4547600 4025.8911 20592.0149 14411.7086 259.3717 -203581.1522 2737.6232 0.0000 0.0000 51938.8560 -109615.6867 298.4933 -161554.5426 -109259.7270 299.3811 -3.6882 15.2159 761032.7338 -13.7985 -13.9004 PRESSURE: 4547800 55.8684 12.3876 98.2997 12.3866 203.5 -52.8947 98.2995 -52.8939 -249.088 GPRESSURE: 4547800 103.681 -31.7452 162.617 85.6705 145.486 -36.2857 98.5903 29.9968 -141.367 PRESSAVG: 4547800 -41.1113 55.4048 -2.50056 55.4048 41.6218 -22.7236 -2.50056 -22.7237 -19.6086 GPRESSAVG: 4547800 -40.2261 51.7899 -0.492083 56.3364 41.1484 -21.082 -4.74489 -25.009 -19.7278 TIMING: 4547800 CPU: 14451.9, 0.00315675/step Wall: 14451.9, 0.00315675/step, 0.396523 hours remaining, 238.875000 MB of memory in use. ENERGY: 4547800 3994.5670 20405.5115 14450.5819 255.0256 -203136.3914 2392.3642 0.0000 0.0000 52063.8103 -109574.5309 299.2114 -161638.3412 -109207.4979 299.2272 3.4268 35.9332 760641.1518 -6.3660 -6.2685 PRESSURE: 4548000 -109.705 21.2848 147.253 21.2846 -94.7734 -37.1572 147.253 -37.1573 -25.3652 GPRESSURE: 4548000 -106.874 8.94582 209.61 48.6696 -25.6658 -36.0519 140.242 -76.606 -8.98467 PRESSAVG: 4548000 2.04773 4.48587 25.339 4.48584 21.7039 -13.776 25.3391 -13.776 12.9487 GPRESSAVG: 4548000 3.10024 6.37417 23.7512 1.93963 21.9459 -15.9326 23.7444 -13.3748 12.0179 TIMING: 4548000 CPU: 14452.5, 0.00315963/step Wall: 14452.5, 0.00315963/step, 0.39671 hours remaining, 238.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4548000 4016.2748 20633.5296 14457.2379 258.9390 -203869.7753 2790.8906 0.0000 0.0000 52139.0708 -109573.8326 299.6440 -161712.9033 -109212.0950 299.1580 -76.6147 -47.1747 759552.0854 12.2334 12.3547 PRESSURE: 4548200 -568.179 -56.9121 -137.762 -56.9127 -449.599 31.3556 -137.762 31.3571 -242.232 GPRESSURE: 4548200 -505.717 42.0057 -63.8783 -71.7897 -364.946 -7.11057 76.6146 95.6006 -297.911 PRESSAVG: 4548200 -30.6387 -25.1987 22.2976 -25.1987 69.5422 -36.598 22.2976 -36.598 1.91787 GPRESSAVG: 4548200 -31.1369 -24.5416 22.2671 -22.1631 69.255 -36.5721 24.6451 -34.4778 2.5392 TIMING: 4548200 CPU: 14453.2, 0.00316413/step Wall: 14453.2, 0.00316413/step, 0.397098 hours remaining, 238.875000 MB of memory in use. ENERGY: 4548200 4043.6782 20458.9438 14472.5232 254.0243 -202957.6031 2124.6376 0.0000 0.0000 52019.7517 -109584.0444 298.9582 -161603.7961 -109228.7986 299.3841 -420.0033 -389.5247 760333.2031 13.6071 13.5524 LDB: ============= START OF LOAD BALANCING ============== 14465.6 LDB: ============== END OF LOAD BALANCING =============== 14465.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14465.6 LDB: ============= START OF LOAD BALANCING ============== 14465.9 LDB: Largest compute 7057 load 0.033747 is 17.2% of average load 0.196016 LDB: Average compute 0.004385 is 2.2% of average load 0.196016 LDB: TIME 14465.9 LOAD: AVG 0.196016 MAX 0.223063 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 14465.9 LOAD: AVG 0.196016 MAX 0.223063 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 14465.9 LOAD: AVG 0.196016 MAX 0.223063 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: ============== END OF LOAD BALANCING =============== 14465.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14465.9 PRESSURE: 4548400 -287.761 136.333 -70.5034 136.333 -78.0636 -9.55675 -70.5048 -9.55604 -91.5229 GPRESSURE: 4548400 -238.03 131.154 15.7776 50.654 -54.5264 29.8792 -99.8693 -40.8706 -70.9767 PRESSAVG: 4548400 -53.7938 -15.8289 19.5519 -15.8289 29.3782 5.49964 19.5519 5.49961 10.4619 GPRESSAVG: 4548400 -54.9115 -16.6998 22.3141 -15.3738 30.2708 6.73672 19.4217 3.26421 10.4118 TIMING: 4548400 CPU: 14453.8, 0.00323752/step Wall: 14453.8, 0.00323752/step, 0.406129 hours remaining, 237.843750 MB of memory in use. ENERGY: 4548400 3948.3936 20313.9131 14521.6337 254.0127 -203271.8408 2512.4658 0.0000 0.0000 52150.6505 -109570.7714 299.7105 -161721.4219 -109200.2843 299.1233 -152.4493 -121.1778 762539.4140 -4.6513 -4.7429 PRESSURE: 4548600 -165.8 280.349 -118.73 280.349 -67.0358 193.141 -118.731 193.141 -123.21 GPRESSURE: 4548600 -164.661 318.402 -143.052 218.252 7.54859 119.904 -157.087 141.697 -127.365 PRESSAVG: 4548600 5.2017 5.53672 -8.26146 5.53672 -16.001 -0.689529 -8.26145 -0.689558 4.96162 GPRESSAVG: 4548600 4.76306 5.97487 -9.03792 3.03389 -16.6292 -1.74969 -9.25581 -0.0770047 5.7207 TIMING: 4548600 CPU: 14454.4, 0.00317966/step Wall: 14454.4, 0.00317966/step, 0.398694 hours remaining, 237.843750 MB of memory in use. ENERGY: 4548600 3976.0339 20423.0425 14471.1757 230.0249 -202955.4804 2320.4737 0.0000 0.0000 52248.5495 -109286.1802 300.2731 -161534.7296 -108913.6731 299.4183 -118.6819 -94.8259 761183.7164 -1.9459 -2.0485 PRESSURE: 4548800 -103.573 -3.38099 193.27 -3.38003 175.998 129.076 193.269 129.076 -26.8004 GPRESSURE: 4548800 1.83387 -86.9989 132.738 148.193 123.04 159.499 142.03 52.3891 21.8809 PRESSAVG: 4548800 -17.9654 23.9414 3.83735 23.9414 33.3481 18.2695 3.83744 18.2695 1.58817 GPRESSAVG: 4548800 -17.6284 23.0462 2.58666 26.4174 32.9751 17.5415 5.40427 19.0218 1.85183 TIMING: 4548800 CPU: 14455.1, 0.00313945/step Wall: 14455.1, 0.00313945/step, 0.393478 hours remaining, 237.843750 MB of memory in use. ENERGY: 4548800 3962.4804 20567.6373 14501.8633 271.1347 -203001.1625 2362.5011 0.0000 0.0000 51988.8263 -109346.7195 298.7805 -161335.5457 -108979.3654 299.5709 15.2081 48.9184 763134.1641 5.6569 5.7329 PRESSURE: 4549000 80.8506 -7.1743 21.289 -7.17502 -69.1197 -164 21.2885 -164 79.5136 GPRESSURE: 4549000 66.0467 -6.61543 53.7771 -52.7499 15.4012 -75.5172 15.0268 -68.8097 94.6694 PRESSAVG: 4549000 -17.7473 -27.4699 48.0553 -27.4699 48.4882 20.755 48.0554 20.755 -25.3755 GPRESSAVG: 4549000 -16.7951 -27.3224 49.7888 -28.97 48.3034 22.102 44.6832 19.0868 -25.6858 TIMING: 4549000 CPU: 14455.7, 0.00316384/step Wall: 14455.7, 0.00316384/step, 0.396359 hours remaining, 237.843750 MB of memory in use. ENERGY: 4549000 3991.3932 20499.0675 14513.1784 268.4957 -203551.5233 2658.0585 0.0000 0.0000 52287.2194 -109334.1106 300.4954 -161621.3300 -108978.5473 299.6972 30.4149 58.7058 763179.2285 1.7884 1.9408 PRESSURE: 4549200 431.271 62.4773 97.9252 62.4772 30.2876 -89.3359 97.9243 -89.3358 101.562 GPRESSURE: 4549200 487.03 -15.7463 161.639 -33.2267 89.842 -66.1229 143.185 -148.504 96.7011 PRESSAVG: 4549200 33.0951 -96.2848 -12.8422 -96.2848 -52.5557 3.97947 -12.8422 3.97946 -18.747 GPRESSAVG: 4549200 31.9853 -96.1637 -14.5979 -97.0634 -52.7533 3.47832 -11.9879 5.5373 -17.4251 TIMING: 4549200 CPU: 14456.3, 0.00315593/step Wall: 14456.3, 0.00315593/step, 0.395192 hours remaining, 237.843750 MB of memory in use. ENERGY: 4549200 4048.5018 20474.4058 14389.2225 242.6384 -203671.2599 3005.7357 0.0000 0.0000 52010.3399 -109500.4158 298.9041 -161510.7557 -109131.4460 299.6587 187.7068 224.5244 761396.4564 -12.7359 -12.7310 PRESSURE: 4549400 16.2106 -13.6805 29.1919 -13.6809 366.527 192.719 29.1916 192.719 77.7357 GPRESSURE: 4549400 61.162 25.511 -17.3945 -30.8403 367.595 251.399 12.9963 263.567 115.351 PRESSAVG: 4549400 43.0495 -49.9878 58.6642 -49.9877 -34.5403 39.0923 58.6642 39.0924 1.59654 GPRESSAVG: 4549400 44.0336 -51.5071 58.1091 -49.3225 -34.4388 38.9694 59.1683 37.0027 0.537 TIMING: 4549400 CPU: 14457, 0.00318476/step Wall: 14457, 0.00318476/step, 0.398626 hours remaining, 237.843750 MB of memory in use. ENERGY: 4549400 4009.5010 20595.3984 14452.1954 245.6814 -203173.6074 2399.4111 0.0000 0.0000 52121.2601 -109350.1599 299.5416 -161471.4200 -108991.1109 299.3754 153.4911 181.3693 762407.1539 3.3686 3.3773 PRESSURE: 4549600 -337.505 124.191 -53.9802 124.192 62.7355 0.0833045 -53.9805 0.082612 -202.488 GPRESSURE: 4549600 -250.891 148.991 -2.05147 117.99 -8.49246 -42.7038 -67.6741 76.8377 -145.971 PRESSAVG: 4549600 -40.0289 -0.961228 23.91 -0.961278 14.5037 -9.97219 23.91 -9.97225 2.64331 GPRESSAVG: 4549600 -40.1553 1.19975 25.8521 -1.88912 14.3744 -11.3912 24.0828 -7.96288 2.53531 TIMING: 4549600 CPU: 14457.6, 0.00318456/step Wall: 14457.6, 0.00318456/step, 0.398423 hours remaining, 237.843750 MB of memory in use. ENERGY: 4549600 4051.9250 20522.7549 14490.4458 255.7233 -203223.0373 2669.2458 0.0000 0.0000 52053.5148 -109179.4277 299.1523 -161232.9425 -108813.2755 299.5564 -159.0861 -135.1182 763687.6508 -7.6273 -7.7485 PRESSURE: 4549800 99.501 193.796 -11.1224 193.795 -18.2574 76.4873 -11.1209 76.4861 234.494 GPRESSURE: 4549800 69.988 157.675 -38.0689 243.665 103.225 -20.9396 145.2 87.5982 234.492 PRESSAVG: 4549800 2.2787 -18.781 34.3643 -18.7809 -35.337 26.508 34.3643 26.508 4.42019 GPRESSAVG: 4549800 0.566044 -19.8174 34.2784 -17.4216 -34.6784 26.7946 34.0901 27.2303 5.29451 TIMING: 4549800 CPU: 14458.2, 0.003183/step Wall: 14458.2, 0.003183/step, 0.398051 hours remaining, 237.843750 MB of memory in use. ENERGY: 4549800 4013.3316 20396.3046 14466.9140 269.2722 -203111.5548 2654.4938 0.0000 0.0000 52232.4338 -109078.8047 300.1805 -161311.2386 -108709.7752 299.6099 105.2457 135.9017 761891.5980 -9.5461 -9.6059 PRESSURE: 4550000 -46.502 121.197 -277.511 121.197 73.1139 31.2358 -277.511 31.2368 -227.668 GPRESSURE: 4550000 43.5966 171.287 -292.238 53.9559 40.3854 188.301 -210.94 -8.11243 -204.133 PRESSAVG: 4550000 -23.6313 19.1835 -29.7958 19.1836 11.3589 8.17895 -29.7958 8.17903 -8.27034 GPRESSAVG: 4550000 -22.507 20.9854 -29.8819 16.4292 10.9607 9.52491 -30.1021 5.34476 -8.96362 TIMING: 4550000 CPU: 14458.9, 0.00316747/step Wall: 14458.9, 0.00316747/step, 0.395934 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4550000 3941.3923 20563.5671 14491.6074 241.0723 -203424.0701 2867.2976 0.0000 0.0000 52179.9729 -109139.1605 299.8790 -161319.1334 -108775.0259 300.1672 -67.0186 -40.0505 762783.7089 -6.8476 -6.8367 PRESSURE: 4550200 104.17 -88.5541 -28.7087 -88.5552 -208.433 95.1861 -28.7091 95.1851 -111.781 GPRESSURE: 4550200 183.395 -101.11 -69.0082 64.7863 -214.84 111.818 -129.725 73.4674 -107.574 PRESSAVG: 4550200 45.6675 4.03318 -4.40643 4.03322 26.724 7.51691 -4.40639 7.51695 -7.44588 GPRESSAVG: 4550200 45.8242 3.04025 -6.21387 7.51854 26.3198 6.25448 -3.3509 8.88619 -7.05474 TIMING: 4550200 CPU: 14459.5, 0.00317976/step Wall: 14459.5, 0.00317976/step, 0.397294 hours remaining, 237.843750 MB of memory in use. ENERGY: 4550200 4016.1646 20600.6269 14519.1695 263.0767 -203118.0930 2379.2917 0.0000 0.0000 52192.0389 -109147.7247 299.9484 -161339.7636 -108782.8755 299.7444 -72.0146 -46.3394 761483.1597 21.6486 21.6964 PRESSURE: 4550400 150.987 166.769 188.396 166.768 49.9348 -180.99 188.396 -180.991 213.931 GPRESSURE: 4550400 216.311 100.721 214.89 118.172 31.0408 -147.837 123.256 -110.816 269.706 PRESSAVG: 4550400 9.19013 -68.1063 4.00566 -68.1064 -36.0531 -16.594 4.00556 -16.594 0.270858 GPRESSAVG: 4550400 8.18409 -65.8325 5.24205 -72.709 -34.4981 -14.9578 4.32627 -17.6704 -0.593239 TIMING: 4550400 CPU: 14460.1, 0.00317683/step Wall: 14460.1, 0.00317683/step, 0.396751 hours remaining, 237.843750 MB of memory in use. ENERGY: 4550400 4038.4697 20516.8529 14524.7258 260.2874 -203329.7704 2620.0794 0.0000 0.0000 52085.8985 -109283.4567 299.3384 -161369.3552 -108928.4858 299.7605 138.2843 172.3525 761047.9301 -8.8640 -8.9691 PRESSURE: 4550600 -325.796 -211.974 -102.632 -211.974 44.5481 143.711 -102.631 143.709 167.906 GPRESSURE: 4550600 -274.877 -225.686 -70.1607 -145.376 18.6233 171.351 -12.082 139.213 236.647 PRESSAVG: 4550600 -76.129 -70.6297 -20.0982 -70.6297 40.2949 50.8095 -20.0983 50.8095 21.4101 GPRESSAVG: 4550600 -76.645 -71.9064 -20.4803 -66.9965 39.9548 51.6891 -20.6395 50.724 22.7793 TIMING: 4550600 CPU: 14460.8, 0.0031679/step Wall: 14460.8, 0.0031679/step, 0.395459 hours remaining, 237.843750 MB of memory in use. ENERGY: 4550600 3925.5633 20531.6294 14482.3114 231.1162 -203476.5913 2715.2391 0.0000 0.0000 52153.3745 -109437.3574 299.7262 -161590.7319 -109066.6752 299.1051 -37.7806 -6.5357 760221.6679 -4.8080 -4.6370 PRESSURE: 4550800 -217.836 140.796 30.8504 140.796 32.3603 -11.0007 30.8499 -10.9992 -76.6019 GPRESSURE: 4550800 -129.702 198.702 -4.28474 92.3751 -68.8336 -27.4354 142.087 88.319 8.45703 PRESSAVG: 4550800 -45.702 -14.9662 -43.6529 -14.9663 46.5606 18.1608 -43.6528 18.1607 -23.0767 GPRESSAVG: 4550800 -43.9641 -16.9025 -42.3641 -17.0153 45.4011 16.4089 -41.9567 21.1523 -23.3233 TIMING: 4550800 CPU: 14461.4, 0.00316692/step Wall: 14461.4, 0.00316692/step, 0.395161 hours remaining, 237.843750 MB of memory in use. ENERGY: 4550800 3964.1325 20442.7380 14415.8556 238.0371 -202945.4281 2380.9926 0.0000 0.0000 52076.6616 -109427.0107 299.2853 -161503.6722 -109060.0953 299.0983 -87.3591 -63.3597 762193.5098 -7.4060 -7.2954 PRESSURE: 4551000 32.1386 31.7942 143.053 31.7942 -388.337 -112.845 143.054 -112.845 -94.313 GPRESSURE: 4551000 -3.50749 7.63482 150.267 94.9602 -339.5 -197.346 96.7611 78.6419 -36.8241 PRESSAVG: 4551000 -37.5183 -8.32065 -12.9101 -8.32057 23.7724 15.5609 -12.91 15.561 15.9651 GPRESSAVG: 4551000 -38.0424 -7.72749 -13.4103 -5.98593 24.7496 17.2889 -14.6251 12.2526 15.3971 TIMING: 4551000 CPU: 14462.1, 0.00318956/step Wall: 14462.1, 0.00318956/step, 0.397808 hours remaining, 237.843750 MB of memory in use. ENERGY: 4551000 4119.6916 20477.1457 14437.9540 231.0389 -202987.3400 2365.3442 0.0000 0.0000 51931.5783 -109424.5875 298.4515 -161356.1657 -109074.3793 298.8080 -150.1706 -126.6106 759582.3107 0.7397 0.7014 PRESSURE: 4551200 0.945284 88.3023 8.27875 88.3023 115.986 39.4886 8.27912 39.4879 32.7494 GPRESSURE: 4551200 116.241 68.9055 3.21644 135.355 47.3735 51.16 47.1418 8.96524 78.199 PRESSAVG: 4551200 -55.6232 -6.09257 -13.7155 -6.09256 29.9754 37.6521 -13.7155 37.6521 6.14913 GPRESSAVG: 4551200 -55.0872 -4.56595 -15.3445 -6.4406 29.268 33.871 -11.534 40.6586 5.99944 TIMING: 4551200 CPU: 14462.7, 0.00317688/step Wall: 14462.7, 0.00317688/step, 0.396051 hours remaining, 237.843750 MB of memory in use. ENERGY: 4551200 3922.6956 20387.8973 14409.4461 261.9392 -202975.5526 2387.4489 0.0000 0.0000 52061.9885 -109544.1371 299.2010 -161606.1256 -109174.9767 298.7646 49.8935 80.6046 758634.7216 -6.4995 -6.6066 PRESSURE: 4551400 24.541 -78.1188 -165.408 -78.119 -71.9357 -251.707 -165.408 -251.707 99.4339 GPRESSURE: 4551400 80.4257 -79.5007 -152.272 -4.33613 9.96904 -344.713 -76.1656 -271.368 57.3176 PRESSAVG: 4551400 0.91171 -6.71379 -22.3292 -6.71373 -0.0348233 6.32486 -22.3292 6.32481 22.8629 GPRESSAVG: 4551400 -0.0652493 -7.86871 -21.1343 -6.75676 1.01163 7.60485 -21.818 4.70169 23.0499 TIMING: 4551400 CPU: 14463.3, 0.00315955/step Wall: 14463.3, 0.00315955/step, 0.393715 hours remaining, 237.843750 MB of memory in use. ENERGY: 4551400 4012.0516 20429.7445 14396.2199 251.1034 -203477.8771 2628.5608 0.0000 0.0000 52064.1236 -109696.0732 299.2132 -161760.1968 -109335.6268 299.2609 17.3464 49.2374 760194.1942 7.9132 7.9988 PRESSURE: 4551600 -63.812 -53.2156 -19.0141 -53.2154 -322.579 -55.9747 -19.0136 -55.9755 74.1024 GPRESSURE: 4551600 -62.7586 -23.3122 -51.6517 -95.756 -288.03 -26.9851 27.0437 -54.4931 136.825 PRESSAVG: 4551600 10.7827 -49.8639 24.7085 -49.8639 -18.8073 -2.0781 24.7085 -2.07809 -4.76668 GPRESSAVG: 4551600 10.7224 -51.5131 25.0681 -49.4165 -19.4229 -1.92675 22.8155 -2.98843 -4.15705 TIMING: 4551600 CPU: 14464, 0.00316488/step Wall: 14464, 0.00316488/step, 0.394203 hours remaining, 237.843750 MB of memory in use. ENERGY: 4551600 4002.6079 20570.8950 14431.3386 254.6448 -203086.1775 2410.8986 0.0000 0.0000 51924.2748 -109491.5178 298.4095 -161415.7925 -109133.5283 298.8643 -104.0963 -71.3212 761428.1379 -4.2637 -4.2858 PRESSURE: 4551800 31.5063 120.472 364.489 120.472 41.4025 -57.0331 364.489 -57.032 -58.7431 GPRESSURE: 4551800 15.5446 39.2135 342.466 104.587 69.8557 -84.5824 470.436 37.4257 -8.30714 PRESSAVG: 4551800 27.6877 -36.5327 9.00574 -36.5327 -31.2316 67.7132 9.00572 67.7132 16.5147 GPRESSAVG: 4551800 28.1011 -34.0204 9.07077 -36.7912 -30.9446 69.0859 11.8898 68.6473 15.5321 TIMING: 4551800 CPU: 14464.6, 0.003158/step Wall: 14464.6, 0.003158/step, 0.393171 hours remaining, 237.843750 MB of memory in use. ENERGY: 4551800 4003.2268 20423.4945 14472.1016 257.1530 -203333.4720 2740.1238 0.0000 0.0000 51984.6484 -109452.7239 298.7565 -161437.3723 -109091.0257 299.3584 4.7219 25.6977 761109.6426 4.3236 4.2295 PRESSURE: 4552000 13.9628 208.405 103.84 208.405 -125.614 -135.883 103.841 -135.882 -445.179 GPRESSURE: 4552000 119.431 209.266 31.8784 188.33 -122.544 -134.019 -68.1499 -97.8475 -474.783 PRESSAVG: 4552000 21.2029 4.43042 -4.77111 4.43047 -8.82267 -3.2611 -4.77106 -3.26111 -26.3137 GPRESSAVG: 4552000 19.9551 3.85232 -4.76532 3.46165 -9.0643 -3.653 -7.63301 -2.8656 -25.1356 TIMING: 4552000 CPU: 14465.2, 0.0031458/step Wall: 14465.2, 0.0031458/step, 0.391478 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4552000 4013.4263 20571.6760 14441.1180 208.9892 -203324.6457 2593.9439 0.0000 0.0000 52105.6480 -109389.8444 299.4519 -161495.4923 -109034.2754 299.3011 -185.6099 -159.2986 761659.0083 -4.6445 -4.7483 PRESSURE: 4552200 105.141 -83.7225 -184.578 -83.7226 -58.1154 99.7918 -184.577 99.7913 26.9868 GPRESSURE: 4552200 140.21 -64.2565 -142.309 15.5613 -31.5681 183.951 -109.566 25.3091 32.1481 PRESSAVG: 4552200 23.2072 -16.6827 7.38143 -16.6827 -49.5753 -44.2541 7.38146 -44.254 -17.7349 GPRESSAVG: 4552200 24.741 -16.4948 5.15031 -16.9207 -49.0728 -46.5474 8.16645 -43.198 -19.9318 TIMING: 4552200 CPU: 14465.8, 0.00314402/step Wall: 14465.8, 0.00314402/step, 0.391081 hours remaining, 237.843750 MB of memory in use. ENERGY: 4552200 4001.1735 20727.5226 14365.8381 250.9812 -203024.9006 2378.0105 0.0000 0.0000 52088.4086 -109212.9662 299.3528 -161301.3748 -108862.6947 299.3825 24.6707 46.9300 761406.2041 -14.7010 -14.7545 LDB: ============= START OF LOAD BALANCING ============== 14478.2 LDB: ============== END OF LOAD BALANCING =============== 14478.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14478.2 LDB: ============= START OF LOAD BALANCING ============== 14478.6 LDB: Largest compute 7075 load 0.035683 is 18.2% of average load 0.196059 LDB: Average compute 0.004383 is 2.2% of average load 0.196059 LDB: TIME 14478.6 LOAD: AVG 0.196059 MAX 0.224363 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.898 MB LDB: TIME 14478.6 LOAD: AVG 0.196059 MAX 0.224363 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.102 MB LDB: TIME 14478.6 LOAD: AVG 0.196059 MAX 0.224363 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14478.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14478.6 PRESSURE: 4552400 66.068 148.024 -5.96519 148.024 -161.154 -127.06 -5.96553 -127.06 -369.654 GPRESSURE: 4552400 97.3335 180.615 -118.99 24.8212 -95.1225 -175.142 55.0553 -170.258 -380.467 PRESSAVG: 4552400 30.1823 -26.1528 -56.6756 -26.1528 -0.0308871 18.2012 -56.6756 18.2012 11.1195 GPRESSAVG: 4552400 28.4107 -24.2421 -55.6408 -25.4861 0.132947 20.7476 -55.7513 16.5078 12.478 TIMING: 4552400 CPU: 14466.5, 0.0032203/step Wall: 14466.5, 0.00322031/step, 0.400391 hours remaining, 238.355469 MB of memory in use. ENERGY: 4552400 4028.1030 20632.1585 14475.2795 241.8943 -203612.7746 2666.0065 0.0000 0.0000 52391.0260 -109178.3068 301.0919 -161569.3328 -108812.8047 300.2032 -154.9135 -126.0852 759189.8307 13.7570 13.6739 PRESSURE: 4552600 -320.442 -6.12182 54.5452 -6.12184 -123.447 55.8461 54.5448 55.8468 -19.9106 GPRESSURE: 4552600 -345.69 0.113431 21.9851 -81.4206 -40.2224 88.3666 43.1661 21.8833 -10.9924 PRESSAVG: 4552600 -32.4337 31.4118 -18.4324 31.4117 49.7511 -25.5804 -18.4324 -25.5804 -6.7902 GPRESSAVG: 4552600 -30.3814 31.1531 -19.171 33.5242 48.8617 -26.6338 -17.6368 -24.8679 -8.42351 TIMING: 4552600 CPU: 14467.1, 0.00316403/step Wall: 14467.1, 0.00316403/step, 0.393219 hours remaining, 238.355469 MB of memory in use. ENERGY: 4552600 4038.2448 20489.6334 14464.5247 256.0257 -203435.1060 2657.2467 0.0000 0.0000 52240.0236 -109289.4071 300.2241 -161529.4307 -108922.0510 299.6781 -154.6001 -132.3016 761064.8342 3.5091 3.3522 PRESSURE: 4552800 -153.931 126.35 -154.137 126.35 75.7921 132.48 -154.137 132.48 -269.853 GPRESSURE: 4552800 -140.082 34.1948 -92.2064 -8.39661 143.272 135.719 -160.56 28.2321 -251.864 PRESSAVG: 4552800 0.39382 2.84651 -12.0484 2.84652 17.1589 16.9628 -12.0483 16.9628 -8.48324 GPRESSAVG: 4552800 -1.22467 1.64627 -10.8277 1.84292 17.2755 17.7912 -13.6067 17.6146 -7.74045 TIMING: 4552800 CPU: 14467.8, 0.00320345/step Wall: 14467.8, 0.00320345/step, 0.39794 hours remaining, 238.355469 MB of memory in use. ENERGY: 4552800 4033.8856 20656.3804 14464.8503 257.4387 -203387.9895 2668.9047 0.0000 0.0000 51952.2286 -109354.3012 298.5702 -161306.5297 -109009.5750 299.2450 -115.9973 -82.8916 760574.0906 3.0232 2.7701 PRESSURE: 4553000 94.7557 -23.3289 104.255 -23.3292 -83.6566 24.1328 104.255 24.1315 129.071 GPRESSURE: 4553000 65.2429 -13.484 206.425 88.6307 6.48521 52.6638 129.052 -95.7306 135.399 PRESSAVG: 4553000 -36.4016 8.90807 -18.0427 8.90807 19.6882 42.2439 -18.0428 42.2439 8.45959 GPRESSAVG: 4553000 -36.8662 8.03196 -16.4262 8.19826 19.5938 40.9234 -19.6198 43.2809 9.02852 TIMING: 4553000 CPU: 14468.4, 0.00319563/step Wall: 14468.4, 0.00319563/step, 0.396791 hours remaining, 238.355469 MB of memory in use. ENERGY: 4553000 3957.0143 20695.6423 14456.6356 244.4834 -203197.3233 2582.5546 0.0000 0.0000 52071.5946 -109189.3984 299.2562 -161260.9930 -108829.0931 299.4811 46.7232 69.0424 760783.5955 -2.7513 -2.7480 PRESSURE: 4553200 370.759 -0.877975 220.544 -0.877861 65.7341 -42.6678 220.543 -42.6686 295.73 GPRESSURE: 4553200 457.813 -72.3609 123.687 34.5658 -9.95252 -50.2685 234.831 -5.05197 350.962 PRESSAVG: 4553200 83.9798 55.0998 -0.859286 55.0998 -78.2717 -32.7752 -0.85923 -32.7752 6.86396 GPRESSAVG: 4553200 84.6333 56.7208 -1.59221 55.2074 -78.698 -32.6471 -0.482072 -34.0909 6.36255 TIMING: 4553200 CPU: 14469, 0.00318203/step Wall: 14469, 0.00318203/step, 0.394925 hours remaining, 238.355469 MB of memory in use. ENERGY: 4553200 3964.3568 20679.3684 14516.6479 267.7498 -203598.6422 2784.6267 0.0000 0.0000 51928.7011 -109457.1916 298.4350 -161385.8926 -109096.9764 299.2512 244.0743 266.2744 760587.2690 4.1907 4.0993 PRESSURE: 4553400 99.9035 -62.0119 -88.9057 -62.012 275.926 -22.6355 -88.9055 -22.6348 100.552 GPRESSURE: 4553400 164.92 -139.729 -61.8088 -164.836 267.779 -22.5486 -214.702 3.80997 120.279 PRESSAVG: 4553400 -4.06647 23.9276 21.5716 23.9276 -12.5851 -35.1508 21.5715 -35.1509 7.72254 GPRESSAVG: 4553400 -3.39388 23.8144 20.896 23.1549 -13.5548 -34.027 22.7408 -35.8638 8.33515 TIMING: 4553400 CPU: 14469.7, 0.00317293/step Wall: 14469.7, 0.00317293/step, 0.393619 hours remaining, 238.355469 MB of memory in use. ENERGY: 4553400 4042.6912 20600.9757 14315.9200 265.9692 -203260.8371 2455.8397 0.0000 0.0000 52219.5464 -109359.8949 300.1065 -161579.4412 -108997.2858 299.3677 158.7939 184.3259 760955.4998 -2.9764 -2.8712 PRESSURE: 4553600 -110.789 61.7673 155.471 61.7671 -238.512 5.88031 155.47 5.87969 -165.356 GPRESSURE: 4553600 -201.421 1.07235 176.492 113.22 -171.642 -17.9872 -39.0898 -0.993782 -58.7665 PRESSAVG: 4553600 0.103916 -41.3896 -43.4388 -41.3896 21.316 -52.1692 -43.4388 -52.1692 -5.6185 GPRESSAVG: 4553600 -0.773256 -42.5499 -44.5705 -38.8266 22.9214 -54.0504 -43.1531 -51.6612 -6.47365 TIMING: 4553600 CPU: 14470.3, 0.00316087/step Wall: 14470.3, 0.00316087/step, 0.391948 hours remaining, 238.355469 MB of memory in use. ENERGY: 4553600 4029.4739 20621.5452 14484.9138 259.6157 -203300.6847 2526.2772 0.0000 0.0000 51956.1870 -109422.6719 298.5929 -161378.8589 -109071.8582 299.8675 -171.5522 -143.9434 762410.9548 5.2671 5.2248 PRESSURE: 4553800 -75.7366 -3.34091 93.9698 -3.34085 251.148 45.9057 93.9699 45.9067 -18.4831 GPRESSURE: 4553800 107.38 -59.9995 97.313 92.8587 168.095 -42.4955 92.8198 144.393 -38.0355 PRESSAVG: 4553800 -34.56 25.9043 5.46284 25.9043 -5.50021 -32.1818 5.46288 -32.1818 -6.7413 GPRESSAVG: 4553800 -34.5892 26.8936 7.298 25.0419 -5.55218 -31.6778 3.0764 -31.5464 -6.67666 TIMING: 4553800 CPU: 14471, 0.00325648/step Wall: 14471, 0.00325648/step, 0.403622 hours remaining, 238.355469 MB of memory in use. ENERGY: 4553800 3956.1381 20522.0764 14358.4180 246.3194 -203041.3022 2446.1408 0.0000 0.0000 52159.8609 -109352.3487 299.7634 -161512.2096 -108980.5248 299.3437 52.3095 79.1466 762047.6885 -15.6005 -15.6060 PRESSURE: 4554000 155.887 152.912 -183.455 152.912 286.923 27.5096 -183.456 27.5099 -207.771 GPRESSURE: 4554000 143.12 101.671 -183.738 185.534 323.003 -14.7304 -224.172 52.3893 -171.063 PRESSAVG: 4554000 -7.34102 -18.0929 36.8434 -18.0929 21.8587 0.830518 36.8434 0.8305 -4.75914 GPRESSAVG: 4554000 -7.69607 -17.7195 35.5524 -19.4645 21.6571 1.27199 37.8952 -1.08524 -4.04825 TIMING: 4554000 CPU: 14471.6, 0.00316093/step Wall: 14471.6, 0.00316093/step, 0.391604 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4554000 4000.6746 20720.2595 14487.4057 257.9018 -203442.4949 2821.8347 0.0000 0.0000 51760.4473 -109393.9713 297.4680 -161154.4186 -109035.2982 299.1281 78.3462 98.3534 759463.3885 3.2529 3.3043 PRESSURE: 4554200 -90.4955 -305.364 -24.5751 -305.363 -237.243 -52.1112 -24.5748 -52.1119 23.7135 GPRESSURE: 4554200 -159.701 -311.358 -9.07469 -227.992 -93.5935 -54.5898 51.6923 9.70497 32.4298 PRESSAVG: 4554200 -14.1948 -38.6566 18.6787 -38.6566 -60.2424 45.9342 18.6788 45.9343 5.29239 GPRESSAVG: 4554200 -16.0247 -37.9501 19.3362 -37.2747 -59.0813 46.5566 19.9314 47.053 5.62113 TIMING: 4554200 CPU: 14472.2, 0.00317132/step Wall: 14472.2, 0.00317132/step, 0.392715 hours remaining, 238.355469 MB of memory in use. ENERGY: 4554200 3940.6924 20476.0232 14464.3117 246.5684 -202869.7080 2314.1016 0.0000 0.0000 51874.6530 -109553.3576 298.1243 -161428.0106 -109188.3734 298.7067 -101.3416 -73.6215 760482.3211 -23.0483 -23.1616 PRESSURE: 4554400 -297.979 -28.3279 4.68498 -28.3286 -209.084 -25.2802 4.68527 -25.2796 -50.6728 GPRESSURE: 4554400 -278.462 -30.8967 80.7029 -100.526 -163.823 30.6178 -50.165 85.3382 -48.3664 PRESSAVG: 4554400 -42.6658 -17.8856 -15.3517 -17.8855 58.9222 6.56178 -15.3516 6.56182 -3.51911 GPRESSAVG: 4554400 -41.7263 -18.0017 -14.383 -18.3306 59.5482 8.74985 -16.4352 4.92464 -4.75353 TIMING: 4554400 CPU: 14472.8, 0.0031379/step Wall: 14472.8, 0.0031379/step, 0.388402 hours remaining, 238.355469 MB of memory in use. ENERGY: 4554400 3958.8404 20549.3077 14406.9947 245.4301 -203157.2126 2401.7615 0.0000 0.0000 52002.1163 -109592.7619 298.8569 -161594.8781 -109235.2232 298.8729 -185.9122 -163.5505 762155.4944 4.2457 4.3561 PRESSURE: 4554600 200.816 123.172 -22.0175 123.173 85.3093 -18.5467 -22.018 -18.5466 -135.173 GPRESSURE: 4554600 366.39 -36.9255 36.1223 60.4429 11.8729 -51.1678 15.2368 -77.6384 -126.439 PRESSAVG: 4554600 59.8883 -45.8055 8.0681 -45.8055 -21.3305 -19.9465 8.06811 -19.9464 9.87139 GPRESSAVG: 4554600 62.1364 -47.1203 7.6857 -45.6345 -23.887 -23.9652 7.55796 -19.4266 10.5224 TIMING: 4554600 CPU: 14473.5, 0.003144/step Wall: 14473.5, 0.003144/step, 0.388982 hours remaining, 238.355469 MB of memory in use. ENERGY: 4554600 4048.9348 20330.2822 14466.1981 257.6679 -203517.0450 2713.9620 0.0000 0.0000 51914.0852 -109785.9147 298.3510 -161699.9999 -109421.0007 298.2981 50.3173 83.9416 759624.3885 16.1431 16.2573 PRESSURE: 4554800 123.994 82.3529 -11.559 82.3522 21.9631 -182.27 -11.559 -182.269 357.67 GPRESSURE: 4554800 158.635 54.7185 -2.68402 82.3579 95.6268 -217.699 -74.0853 -66.8605 347.671 PRESSAVG: 4554800 -2.95781 -43.5521 -7.37489 -43.5522 33.518 2.43933 -7.37492 2.43937 -0.785188 GPRESSAVG: 4554800 -4.41859 -42.4396 -6.28397 -43.7327 35.4965 3.1529 -8.83073 3.61199 -1.50492 TIMING: 4554800 CPU: 14474.1, 0.00314623/step Wall: 14474.1, 0.00314623/step, 0.389084 hours remaining, 238.355469 MB of memory in use. ENERGY: 4554800 3894.9115 20432.4802 14457.7346 255.4550 -203384.5693 2388.7762 0.0000 0.0000 52345.4153 -109609.7964 300.8298 -161955.2118 -109233.4581 298.6942 167.8757 200.6442 758913.0352 9.9250 9.8577 PRESSURE: 4555000 -189.904 5.94983 -90.8014 5.94863 -185.039 -20.7885 -90.8011 -20.7888 279.448 GPRESSURE: 4555000 -118.415 13.177 -25.8586 -71.2769 -149.867 -34.9739 -159.248 110.542 268.635 PRESSAVG: 4555000 0.595799 -23.7124 -31.0849 -23.7124 10.0892 -52.034 -31.0848 -52.0339 -1.077 GPRESSAVG: 4555000 0.78854 -23.3725 -32.8764 -25.4177 9.14923 -50.6508 -28.2929 -52.2646 -0.414699 TIMING: 4555000 CPU: 14474.7, 0.00313813/step Wall: 14474.7, 0.00313813/step, 0.387908 hours remaining, 238.355469 MB of memory in use. ENERGY: 4555000 4058.1613 20609.6757 14468.2215 246.4389 -203448.9090 2554.3910 0.0000 0.0000 51945.5662 -109566.4544 298.5319 -161512.0206 -109205.9130 299.0769 -31.8316 0.1175 760744.2112 3.2027 3.1744 PRESSURE: 4555200 -199.156 -39.3649 190.081 -39.3655 -330.534 312.259 190.08 312.26 95.4007 GPRESSURE: 4555200 -194.449 -153.575 164.305 -48.5358 -239.259 248.264 231.856 263.379 88.5898 PRESSAVG: 4555200 -33.6185 -52.9062 -31.7112 -52.9063 1.87652 1.03085 -31.7112 1.03087 13.0463 GPRESSAVG: 4555200 -33.005 -52.7076 -32.5439 -51.3606 2.55645 0.445186 -32.0304 -0.376017 11.8057 TIMING: 4555200 CPU: 14475.4, 0.00314223/step Wall: 14475.4, 0.00314223/step, 0.388239 hours remaining, 238.355469 MB of memory in use. ENERGY: 4555200 4009.4236 20474.2224 14387.3086 267.0454 -203374.9187 2522.2461 0.0000 0.0000 52047.6808 -109666.9918 299.1187 -161714.6726 -109291.6787 299.0757 -144.7632 -115.0396 760596.0392 -6.2319 -6.2143 PRESSURE: 4555400 -197.058 11.8372 -102.995 11.8373 -245.66 -32.4156 -102.995 -32.4167 -400.005 GPRESSURE: 4555400 -151.125 -6.58493 -48.3952 46.3925 -207.528 -68.0899 -153.656 12.8312 -393.057 PRESSAVG: 4555400 24.5221 10.6497 12.1651 10.6496 -40.8917 9.3455 12.1652 9.34559 -12.4237 GPRESSAVG: 4555400 22.7357 10.3219 14.5396 10.5526 -40.3536 10.7719 10.3773 8.65405 -10.8988 TIMING: 4555400 CPU: 14476, 0.00316946/step Wall: 14476, 0.00316946/step, 0.391429 hours remaining, 238.355469 MB of memory in use. ENERGY: 4555400 4066.0902 20471.7990 14449.4798 262.4593 -203254.6618 2476.4964 0.0000 0.0000 52022.9605 -109505.3766 298.9767 -161528.3371 -109132.2263 299.0977 -280.9077 -250.5697 760631.4111 -9.5978 -9.5056 PRESSURE: 4555600 -0.294562 -83.9286 -32.4581 -83.9285 29.7439 96.8368 -32.4579 96.8367 342.749 GPRESSURE: 4555600 67.3088 -65.6455 -67.6748 13.4595 71.2961 85.0789 186.596 121.835 311.097 PRESSAVG: 4555600 -45.0105 -5.96985 -10.7347 -5.96996 5.57611 -78.24 -10.7347 -78.2399 -26.4462 GPRESSAVG: 4555600 -43.7832 -5.58845 -12.7884 -6.02074 3.86156 -79.253 -7.7691 -77.3572 -25.8454 TIMING: 4555600 CPU: 14476.6, 0.00314244/step Wall: 14476.6, 0.00314244/step, 0.387917 hours remaining, 238.355469 MB of memory in use. ENERGY: 4555600 4001.9396 20619.3276 14360.7352 233.5414 -203630.3417 2481.7913 0.0000 0.0000 52298.9329 -109634.0736 300.5627 -161933.0065 -109271.1007 299.2569 124.0661 149.9006 760578.6873 -21.9602 -21.9223 PRESSURE: 4555800 -103.051 -165.45 21.6119 -165.449 -150.877 6.66017 21.612 6.66065 -237.195 GPRESSURE: 4555800 -125.818 -113.906 26.809 -165.275 -148.19 42.2093 51.6524 -40.1485 -145.651 PRESSAVG: 4555800 -8.16691 -33.5715 5.19032 -33.5714 3.98206 19.2286 5.19034 19.2286 4.57642 GPRESSAVG: 4555800 -7.18074 -36.39 4.73316 -33.5477 3.837 19.5897 5.71191 20.1832 3.77655 TIMING: 4555800 CPU: 14477.3, 0.00314364/step Wall: 14477.3, 0.00314364/step, 0.387891 hours remaining, 238.355469 MB of memory in use. ENERGY: 4555800 4004.9505 20587.5825 14483.4471 246.4512 -203347.6650 2533.5115 0.0000 0.0000 51893.6523 -109598.0698 298.2335 -161491.7222 -109235.8473 299.3231 -163.7077 -139.8865 762379.1680 0.1305 0.1443 PRESSURE: 4556000 77.224 -178.32 42.3572 -178.32 44.7818 363.032 42.3558 363.032 41.7015 GPRESSURE: 4556000 55.0998 -208.175 45.0893 -181.14 184.531 347.346 53.383 259.943 25.0393 PRESSAVG: 4556000 66.278 -43.0446 9.41134 -43.0446 -82.5326 1.19411 9.41129 1.19415 11.4731 GPRESSAVG: 4556000 63.8881 -42.1146 9.88047 -43.4278 -80.2202 1.12984 7.26448 0.647881 11.4611 TIMING: 4556000 CPU: 14477.9, 0.0031365/step Wall: 14477.9, 0.0031365/step, 0.386835 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4556000 3947.6660 20626.4546 14446.7655 238.1161 -203567.9922 2713.9311 0.0000 0.0000 51924.6775 -109670.3813 298.4118 -161595.0587 -109305.7790 299.0756 54.5691 88.2233 760083.6442 -1.5938 -1.6237 PRESSURE: 4556200 -180.449 48.1243 162.75 48.1254 163.141 44.0579 162.75 44.0569 -393.854 GPRESSURE: 4556200 -64.2633 -101.889 136.264 31.0067 137.188 91.2106 159.232 51.6209 -380.552 PRESSAVG: 4556200 -14.7177 -28.9252 2.39168 -28.9252 7.98379 39.6825 2.39171 39.6825 6.09515 GPRESSAVG: 4556200 -14.1583 -29.1378 2.73821 -27.9646 7.94988 39.1525 0.461772 40.5204 5.97444 TIMING: 4556200 CPU: 14478.5, 0.00315246/step Wall: 14478.5, 0.00315246/step, 0.388628 hours remaining, 238.355469 MB of memory in use. ENERGY: 4556200 4059.6983 20552.9775 14405.2350 245.1788 -203127.6471 2354.8600 0.0000 0.0000 51936.8071 -109572.8904 298.4815 -161509.6975 -109210.5802 299.1979 -137.0541 -102.5424 760726.8956 -0.2129 -0.0780 LDB: ============= START OF LOAD BALANCING ============== 14490.9 LDB: ============== END OF LOAD BALANCING =============== 14490.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14490.9 LDB: ============= START OF LOAD BALANCING ============== 14491.2 LDB: Largest compute 7045 load 0.034517 is 17.6% of average load 0.195975 LDB: Average compute 0.004370 is 2.2% of average load 0.195975 LDB: TIME 14491.2 LOAD: AVG 0.195975 MAX 0.227736 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 14491.2 LOAD: AVG 0.195975 MAX 0.227736 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 14491.2 LOAD: AVG 0.195975 MAX 0.227736 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14491.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14491.2 PRESSURE: 4556400 -147.419 -65.1596 2.66647 -65.1585 135.679 -127.984 2.6667 -127.983 126.071 GPRESSURE: 4556400 -150.068 -105.882 82.18 -86.6122 189.768 -83.1195 -45.7421 -192.585 153.576 PRESSAVG: 4556400 0.734851 -39.9143 55.5246 -39.9142 -20.9359 70.1014 55.5245 70.1013 3.08532 GPRESSAVG: 4556400 1.51761 -36.4992 54.3567 -41.8283 -21.3255 70.9623 55.5124 68.2913 3.00198 TIMING: 4556400 CPU: 14479.2, 0.0032323/step Wall: 14479.2, 0.0032323/step, 0.398291 hours remaining, 239.433594 MB of memory in use. ENERGY: 4556400 4001.2088 20541.9504 14458.2522 248.7613 -203461.0106 2819.2729 0.0000 0.0000 51844.6480 -109546.9171 297.9519 -161391.5650 -109188.5924 298.6109 38.1104 64.4254 762554.0144 -5.7052 -5.6020 PRESSURE: 4556600 88.9125 -121.641 148.919 -121.641 127.343 -82.3788 148.919 -82.3794 613.16 GPRESSURE: 4556600 117.792 -129.241 63.068 -52.9224 129.781 -129.002 -7.99467 1.36828 662.322 PRESSAVG: 4556600 -1.85753 -24.9409 -19.5793 -24.9409 8.37809 4.85654 -19.5793 4.85659 12.6093 GPRESSAVG: 4556600 -2.58229 -27.953 -19.3009 -23.7279 8.37636 4.73449 -19.3375 4.45432 13.4693 TIMING: 4556600 CPU: 14479.8, 0.00314303/step Wall: 14479.8, 0.00314303/step, 0.387116 hours remaining, 239.636719 MB of memory in use. ENERGY: 4556600 3967.0881 20576.6152 14520.8615 244.5479 -203538.2983 2631.3343 0.0000 0.0000 52037.9945 -109559.8567 299.0631 -161597.8512 -109197.5121 298.6521 276.4717 303.2981 761577.9563 6.3766 6.4211 PRESSURE: 4556800 330.191 -122.87 177.113 -122.87 124.845 -207.255 177.113 -207.256 233.548 GPRESSURE: 4556800 268.818 -119.553 82.7544 -141.046 253.282 -66.2653 171.52 -292.172 267.103 PRESSAVG: 4556800 -28.3576 -49.7725 -0.083456 -49.7726 30.2848 61.7437 -0.083478 61.7436 -14.6629 GPRESSAVG: 4556800 -28.1712 -47.7513 -0.608317 -51.36 29.6464 61.526 0.855961 63.4988 -14.7004 TIMING: 4556800 CPU: 14480.4, 0.00318304/step Wall: 14480.4, 0.00318304/step, 0.391868 hours remaining, 239.636719 MB of memory in use. ENERGY: 4556800 4001.8330 20610.9133 14449.1639 237.8962 -203379.9015 2555.5315 0.0000 0.0000 52114.5045 -109410.0591 299.5028 -161524.5636 -109054.5588 299.2008 229.5282 263.0674 761214.7761 -4.2453 -4.4084 PRESSURE: 4557000 -137.384 128.194 163.852 128.194 -191.487 -110.754 163.852 -110.753 170.48 GPRESSURE: 4557000 -16.4684 104.592 137.972 196.966 -250.926 -115.441 79.9142 -25.0335 214.808 PRESSAVG: 4557000 51.7535 1.75337 15.1284 1.75328 -27.9061 63.1361 15.1285 63.136 15.2102 GPRESSAVG: 4557000 53.4793 -0.27996 14.4304 3.43477 -29.2134 63.5315 15.4929 62.3698 14.6274 TIMING: 4557000 CPU: 14481.1, 0.00320084/step Wall: 14481.1, 0.00320084/step, 0.393881 hours remaining, 239.636719 MB of memory in use. ENERGY: 4557000 4006.7547 20698.6335 14444.7207 252.7922 -203565.9040 2628.4591 0.0000 0.0000 51912.7214 -109621.8225 298.3431 -161534.5438 -109281.0160 298.7528 -52.7970 -17.5289 762219.7210 13.0192 12.9644 PRESSURE: 4557200 13.194 140.984 -158.83 140.985 -367.105 71.3912 -158.83 71.3922 -61.9513 GPRESSURE: 4557200 -26.4255 69.1643 -98.4472 100.392 -240.453 -60.7151 -148.68 111.505 -56.8882 PRESSAVG: 4557200 -1.04747 -91.1562 -6.24109 -91.1563 -11.23 6.08096 -6.24105 6.081 -9.73379 GPRESSAVG: 4557200 -1.87238 -89.6827 -5.82221 -92.2421 -10.278 4.99666 -3.76337 7.99733 -9.81233 TIMING: 4557200 CPU: 14481.7, 0.00315515/step Wall: 14481.7, 0.00315515/step, 0.388084 hours remaining, 239.636719 MB of memory in use. ENERGY: 4557200 4011.4363 20645.0404 14493.1576 249.5880 -203667.3709 2869.3025 0.0000 0.0000 51757.0108 -109641.8354 297.4483 -161398.8462 -109281.1565 299.0792 -138.6207 -107.9221 762116.6084 -7.3371 -7.3209 PRESSURE: 4557400 -85.9681 125.694 68.7851 125.695 56.3659 -81.0683 68.7851 -81.0687 -300.602 GPRESSURE: 4557400 -77.7625 84.0343 129.389 337.32 44.5804 -46.3904 62.7357 -190.076 -241.097 PRESSAVG: 4557400 25.3343 29.015 -7.7355 29.0151 -52.6259 -12.9311 -7.73557 -12.9311 22.8468 GPRESSAVG: 4557400 23.4591 26.9317 -6.33362 30.4474 -51.3316 -12.7936 -11.3212 -15.0595 23.3706 TIMING: 4557400 CPU: 14482.3, 0.00317106/step Wall: 14482.3, 0.00317106/step, 0.389864 hours remaining, 239.636719 MB of memory in use. ENERGY: 4557400 3999.6696 20288.2313 14466.9195 244.1560 -203331.4183 2527.1666 0.0000 0.0000 52058.3900 -109746.8854 299.1803 -161805.2754 -109378.7170 298.9718 -110.0682 -91.4263 760684.5780 -1.4816 -1.5006 PRESSURE: 4557600 209.004 -76.06 -141.927 -76.0594 93.4098 149.435 -141.928 149.436 85.6137 GPRESSURE: 4557600 247.113 52.8541 -92.5421 -79.7448 91.9255 78.6873 -144.264 138.562 116.774 PRESSAVG: 4557600 -28.3682 -42.3776 -45.765 -42.3776 -48.5066 -29.6973 -45.765 -29.6974 -15.012 GPRESSAVG: 4557600 -27.5863 -40.4173 -47.0271 -41.9755 -50.1189 -30.1792 -44.1592 -29.6165 -14.5718 TIMING: 4557600 CPU: 14483, 0.00314806/step Wall: 14483, 0.00314806/step, 0.386861 hours remaining, 239.636719 MB of memory in use. ENERGY: 4557600 3935.0996 20579.5723 14502.6676 259.2242 -203717.1451 2794.2308 0.0000 0.0000 51949.2894 -109697.0613 298.5533 -161646.3507 -109339.2380 298.5988 129.3426 151.9376 759904.9691 -30.6289 -30.7590 PRESSURE: 4557800 -242.839 -201.505 -49.7217 -201.505 -67.8818 70.5684 -49.722 70.5699 363.773 GPRESSURE: 4557800 -156.639 -104.242 -68.7291 -157.405 -68.0427 112.019 -52.4599 109.455 353.292 PRESSAVG: 4557800 -40.1659 -37.1966 -65.7471 -37.1965 42.0733 -9.54275 -65.7471 -9.54276 25.5501 GPRESSAVG: 4557800 -39.72 -36.5115 -64.8183 -39.025 41.4585 -9.1742 -65.9383 -9.22803 25.9656 TIMING: 4557800 CPU: 14483.6, 0.00313911/step Wall: 14483.6, 0.00313911/step, 0.385587 hours remaining, 239.636719 MB of memory in use. ENERGY: 4557800 4019.5006 20341.9063 14411.3414 243.3606 -203665.1877 2803.7208 0.0000 0.0000 52218.4719 -109626.8861 300.1003 -161845.3580 -109263.2187 298.4135 17.6841 42.8701 760909.8594 9.1525 9.2347 PRESSURE: 4558000 -296.83 78.2592 129.486 78.2596 131.041 -285.534 129.486 -285.534 118.689 GPRESSURE: 4558000 -168.427 57.1387 204.573 149.315 122.747 -294.55 103.262 -213.319 94.8979 PRESSAVG: 4558000 45.4612 38.5127 -8.84912 38.5127 -6.219 -27.5528 -8.84912 -27.5528 15.9781 GPRESSAVG: 4558000 46.3129 36.4795 -10.2088 40.6105 -6.10896 -26.3221 -8.3132 -28.8409 15.1908 TIMING: 4558000 CPU: 14484.2, 0.00314223/step Wall: 14484.2, 0.00314223/step, 0.385796 hours remaining, 239.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4558000 3968.5206 20409.7092 14464.8424 249.4551 -203333.4704 2615.7862 0.0000 0.0000 51957.8304 -109667.3264 298.6024 -161625.1568 -109304.9955 298.7979 -15.6998 16.4062 760795.6207 18.4068 18.4649 PRESSURE: 4558200 -45.3176 72.0467 -207.526 72.0467 -304.079 -41.9739 -207.526 -41.9744 112.464 GPRESSURE: 4558200 -37.2573 95.0065 -211.818 43.198 -227.102 95.6265 -220.072 -43.9161 115.764 PRESSAVG: 4558200 8.05678 17.424 27.9017 17.4239 0.437944 -55.4661 27.9018 -55.4661 14.0196 GPRESSAVG: 4558200 7.95984 20.6902 28.7315 15.9578 -0.185289 -55.8247 28.9958 -56.4074 14.4841 TIMING: 4558200 CPU: 14484.8, 0.00314885/step Wall: 14484.8, 0.00314885/step, 0.386434 hours remaining, 239.636719 MB of memory in use. ENERGY: 4558200 4015.5059 20505.1236 14472.7547 246.1710 -203310.2005 2519.7785 0.0000 0.0000 51926.4642 -109624.4026 298.4221 -161550.8668 -109266.0264 298.3526 -78.9776 -49.5316 760391.4667 7.5048 7.4196 PRESSURE: 4558400 95.3643 -4.68448 18.5199 -4.68392 50.5887 -210.09 18.52 -210.089 -368.417 GPRESSURE: 4558400 90.1522 106.586 27.3449 60.6909 21.6944 -118.898 88.3344 -292.284 -255.319 PRESSAVG: 4558400 -55.2361 -9.03403 33.0744 -9.03403 10.2778 -6.19259 33.0744 -6.19259 1.04603 GPRESSAVG: 4558400 -54.2928 -11.0085 32.984 -7.92244 11.0573 -6.3577 32.1091 -3.79312 0.10449 TIMING: 4558400 CPU: 14485.5, 0.00317413/step Wall: 14485.5, 0.00317413/step, 0.38936 hours remaining, 239.636719 MB of memory in use. ENERGY: 4558400 4024.2406 20374.7332 14478.2194 236.4208 -203496.9222 2655.7053 0.0000 0.0000 52085.6081 -109641.9949 299.3367 -161727.6030 -109276.6350 298.8345 -74.1547 -47.8240 761688.7570 -14.6374 -14.3770 PRESSURE: 4558600 -31.8799 42.4866 213.673 42.4867 -2.60713 86.5472 213.673 86.5481 413.704 GPRESSURE: 4558600 -2.01853 89.0476 223.201 4.67745 47.4501 162.227 69.9873 103.013 443.327 PRESSAVG: 4558600 -50.8963 9.06954 30.3567 9.06952 58.9562 -36.0271 30.3566 -36.0271 9.04295 GPRESSAVG: 4558600 -52.8962 8.69257 31.1032 7.96329 59.7016 -35.3301 28.7618 -35.9683 10.255 TIMING: 4558600 CPU: 14486.1, 0.00314783/step Wall: 14486.1, 0.00314783/step, 0.385959 hours remaining, 239.636719 MB of memory in use. ENERGY: 4558600 3969.4953 20443.6890 14510.1906 228.6042 -203133.9007 2589.5087 0.0000 0.0000 51739.3818 -109653.0313 297.3469 -161392.4131 -109295.3849 298.9194 126.4055 162.9194 760784.7982 5.7010 5.6868 PRESSURE: 4558800 -217.526 246.409 68.2478 246.408 -155.895 -8.80507 68.2473 -8.80566 -211.647 GPRESSURE: 4558800 -170.056 130.211 -19.5459 203.016 -148.384 50.9722 152.685 -6.27499 -178.765 PRESSAVG: 4558800 -18.3528 -4.22794 18.7491 -4.22787 6.16002 13.5935 18.7491 13.5935 12.584 GPRESSAVG: 4558800 -17.064 -4.31585 16.8694 -5.72175 5.90911 12.5399 18.7237 12.3396 11.7306 TIMING: 4558800 CPU: 14486.7, 0.00314338/step Wall: 14486.7, 0.00314338/step, 0.385238 hours remaining, 239.636719 MB of memory in use. ENERGY: 4558800 3987.2654 20441.3518 14467.5738 276.7519 -203366.2952 2504.4732 0.0000 0.0000 52099.5949 -109589.2842 299.4171 -161688.8791 -109233.5975 298.9221 -195.0228 -165.7349 760855.4698 0.1304 0.1919 PRESSURE: 4559000 -405.528 113.031 -175.558 113.032 -31.0912 86.6667 -175.558 86.666 35.0151 GPRESSURE: 4559000 -388.117 125.594 -149.978 27.6531 7.18624 91.0624 -163.689 206.251 39.9793 PRESSAVG: 4559000 9.24872 -4.24547 18.9128 -4.24551 -25.9136 -7.90922 18.9128 -7.90916 -10.7138 GPRESSAVG: 4559000 7.96343 -3.19318 21.3672 -2.63652 -25.7243 -6.76334 18.8514 -6.09183 -10.1298 TIMING: 4559000 CPU: 14487.4, 0.00314936/step Wall: 14487.4, 0.00314936/step, 0.385797 hours remaining, 239.636719 MB of memory in use. ENERGY: 4559000 4007.8692 20607.2991 14505.6894 267.9602 -203103.2570 2325.2599 0.0000 0.0000 51861.0780 -109528.1012 298.0463 -161389.1792 -109167.9099 298.7499 -133.8681 -113.6506 760472.9963 -9.1262 -9.2969 PRESSURE: 4559200 -59.8177 4.05988 170.009 4.0593 119.793 -159.372 170.01 -159.37 -72.0366 GPRESSURE: 4559200 -42.7015 6.70639 107.765 74.9522 90.0515 -234.393 70.1371 -124.056 35.9549 PRESSAVG: 4559200 -25.6882 -10.9841 38.3917 -10.9841 45.1704 -15.3032 38.3917 -15.3032 16.4088 GPRESSAVG: 4559200 -25.7185 -11.5192 37.5109 -13.4677 45.1961 -17.0965 38.8825 -16.5369 15.5524 TIMING: 4559200 CPU: 14488, 0.00316034/step Wall: 14488, 0.00316034/step, 0.386966 hours remaining, 239.636719 MB of memory in use. ENERGY: 4559200 3897.5031 20485.6306 14364.0006 242.5743 -203405.5928 2646.9187 0.0000 0.0000 52103.3746 -109665.5909 299.4388 -161768.9655 -109299.3694 299.2672 -4.0203 27.7683 759325.5115 11.9637 11.6767 PRESSURE: 4559400 65.477 -77.1962 160.062 -77.1963 109.27 -98.34 160.061 -98.3392 85.7207 GPRESSURE: 4559400 146.169 -15.4958 154.62 -28.8389 111.416 -135.571 217.351 -66.0652 97.2203 PRESSAVG: 4559400 -39.9737 -15.4974 55.7511 -15.4973 11.9008 -24.6238 55.7511 -24.6237 -8.06562 GPRESSAVG: 4559400 -38.4707 -14.2033 56.4616 -13.8583 10.7532 -24.201 55.273 -25.5882 -8.22429 TIMING: 4559400 CPU: 14488.6, 0.00315774/step Wall: 14488.6, 0.00315774/step, 0.386472 hours remaining, 239.636719 MB of memory in use. ENERGY: 4559400 4049.2133 20492.3381 14456.1737 253.8421 -203377.3592 2552.2100 0.0000 0.0000 51790.9836 -109782.5982 297.6435 -161573.5819 -109423.1063 299.0176 86.8225 118.2684 758961.0303 -12.0462 -11.9806 PRESSURE: 4559600 78.624 -117.291 -89.9695 -117.291 -32.5946 230.598 -89.9703 230.597 45.1238 GPRESSURE: 4559600 95.8577 -168.141 -152.989 -83.1474 -24.2828 271.729 48.3947 234.219 84.7596 PRESSAVG: 4559600 38.4843 1.2096 -9.77413 1.20959 23.9331 -31.4057 -9.77409 -31.4057 -12.7181 GPRESSAVG: 4559600 38.7289 1.56459 -11.0953 1.3804 22.3763 -30.5628 -9.94536 -30.9063 -11.726 TIMING: 4559600 CPU: 14489.3, 0.00317782/step Wall: 14489.3, 0.00317782/step, 0.388753 hours remaining, 239.636719 MB of memory in use. ENERGY: 4559600 3990.8464 20559.9323 14435.3877 261.9592 -203158.3602 2448.5170 0.0000 0.0000 51732.0170 -109729.7006 297.3046 -161461.7176 -109385.4648 298.0958 30.3844 52.1115 761128.2776 16.5665 16.4597 PRESSURE: 4559800 306.493 -14.2066 -22.335 -14.2071 169.031 73.6542 -22.3346 73.6536 58.2454 GPRESSURE: 4559800 293.322 56.4193 12.4161 -142.175 237.064 33.8426 21.036 90.0119 71.6823 PRESSAVG: 4559800 -2.14144 -14.4104 24.2345 -14.4105 -17.8717 7.71516 24.2346 7.71509 26.987 GPRESSAVG: 4559800 -2.72511 -15.0898 24.5875 -13.8408 -15.554 5.75355 25.3922 8.90025 25.0299 TIMING: 4559800 CPU: 14489.9, 0.00315591/step Wall: 14489.9, 0.00315591/step, 0.385898 hours remaining, 239.636719 MB of memory in use. ENERGY: 4559800 3993.9324 20433.8590 14443.3579 255.8166 -203659.1662 2926.6102 0.0000 0.0000 51884.8160 -109720.7742 298.1828 -161605.5901 -109343.2265 298.5261 177.9231 200.6895 760204.7877 2.3246 2.2503 PRESSURE: 4560000 -36.3512 -79.7017 -223.029 -79.7012 382.051 11.2509 -223.028 11.2502 83.82 GPRESSURE: 4560000 -3.41152 -143.623 -196.311 -70.6783 359.457 32.305 -235.654 61.5496 166.748 PRESSAVG: 4560000 5.70339 -38.2259 -7.34257 -38.2259 1.42022 30.1941 -7.34261 30.1941 10.7872 GPRESSAVG: 4560000 4.76943 -39.5207 -8.02984 -39.6755 0.826795 32.2359 -7.12385 29.3399 13.1807 TIMING: 4560000 CPU: 14490.5, 0.00315384/step Wall: 14490.5, 0.00315384/step, 0.38547 hours remaining, 239.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4560000 3969.7485 20456.0726 14424.2295 247.8117 -203510.2773 2688.7301 0.0000 0.0000 51985.8744 -109737.8106 298.7635 -161723.6850 -109368.7089 298.7574 143.1731 174.2645 761540.3894 5.9703 6.2590 PRESSURE: 4560200 -140.549 38.2867 -3.10866 38.2868 -80.7448 430.587 -3.10819 430.587 -40.275 GPRESSURE: 4560200 2.08361 97.2368 78.211 2.8715 -90.5237 307.676 -103.02 438.465 -80.0662 PRESSAVG: 4560200 24.9741 -22.8691 2.47319 -22.8691 -0.0814133 19.0658 2.47321 19.0658 11.5594 GPRESSAVG: 4560200 26.1969 -22.2346 4.44461 -21.7508 -0.250079 17.9536 0.163987 19.8933 10.5906 TIMING: 4560200 CPU: 14491.2, 0.00316717/step Wall: 14491.2, 0.00316717/step, 0.386922 hours remaining, 239.636719 MB of memory in use. ENERGY: 4560200 4108.1968 20474.3251 14465.5670 231.7523 -203017.8529 2082.7555 0.0000 0.0000 52086.4720 -109568.7842 299.3417 -161655.2562 -109209.8669 298.6360 -87.1895 -56.1688 761255.7303 12.1507 12.1792 LDB: ============= START OF LOAD BALANCING ============== 14503.6 LDB: ============== END OF LOAD BALANCING =============== 14503.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14503.6 LDB: ============= START OF LOAD BALANCING ============== 14503.9 LDB: Largest compute 7077 load 0.036763 is 18.8% of average load 0.195952 LDB: Average compute 0.004396 is 2.2% of average load 0.195952 LDB: TIME 14503.9 LOAD: AVG 0.195952 MAX 0.219506 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 14503.9 LOAD: AVG 0.195952 MAX 0.219506 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.668 MB LDB: TIME 14503.9 LOAD: AVG 0.195952 MAX 0.219506 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14503.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14503.9 PRESSURE: 4560400 -18.5857 -202.18 -8.7894 -202.179 143.654 -11.9891 -8.78968 -11.9891 79.2657 GPRESSURE: 4560400 -8.49987 -165.151 -46.407 -169.131 189.222 1.38393 -39.8931 85.143 105.831 PRESSAVG: 4560400 7.74664 -24.8608 -28.0217 -24.8608 24.6861 8.56652 -28.0217 8.56648 13.3262 GPRESSAVG: 4560400 7.22934 -24.3105 -28.6266 -24.5577 25.5314 11.9906 -27.1312 7.00554 12.8714 TIMING: 4560400 CPU: 14491.8, 0.00324863/step Wall: 14491.8, 0.00324863/step, 0.396694 hours remaining, 238.093750 MB of memory in use. ENERGY: 4560400 4095.9248 20580.6526 14413.6495 257.4256 -203808.4165 2813.1697 0.0000 0.0000 51996.3978 -109651.1964 298.8240 -161647.5942 -109293.8010 298.9070 68.1114 95.5179 761383.4371 15.2530 15.2107 PRESSURE: 4560600 -53.0494 25.0224 63.635 25.0222 -307.019 172.212 63.6352 172.211 58.0537 GPRESSURE: 4560600 94.1987 -54.7095 104.357 -102.089 -311.125 215.57 28.9323 179.861 -24.351 PRESSAVG: 4560600 -51.562 -28.7923 -32.9469 -28.7923 -0.468179 19.5266 -32.9468 19.5266 -21.5076 GPRESSAVG: 4560600 -50.2428 -28.5922 -33.3362 -30.0627 -3.01558 17.7643 -32.2521 19.9545 -20.7244 TIMING: 4560600 CPU: 14492.4, 0.0031613/step Wall: 14492.4, 0.0031613/step, 0.385854 hours remaining, 238.093750 MB of memory in use. ENERGY: 4560600 4041.9085 20593.5728 14407.7504 258.0742 -203388.7328 2351.6370 0.0000 0.0000 51902.5531 -109833.2369 298.2847 -161735.7899 -109464.4730 298.8861 -100.6717 -80.4257 760315.7909 -24.5126 -24.6609 PRESSURE: 4560800 110.19 -210.353 -131.316 -210.353 28.2557 -123.561 -131.315 -123.561 -150.228 GPRESSURE: 4560800 56.0974 -188.384 -8.22768 -106.822 40.4794 -102.286 -44.3924 -261.81 -20.5054 PRESSAVG: 4560800 49.8095 18.2154 -16.4719 18.2155 -19.4458 -13.6715 -16.472 -13.6716 23.1186 GPRESSAVG: 4560800 48.1605 18.6065 -14.5981 18.2616 -18.8926 -14.9778 -17.8047 -14.9996 24.0176 TIMING: 4560800 CPU: 14493.1, 0.003153/step Wall: 14493.1, 0.003153/step, 0.384665 hours remaining, 238.093750 MB of memory in use. ENERGY: 4560800 3981.6043 20459.8921 14410.1035 258.6702 -203568.2588 2463.4237 0.0000 0.0000 52127.0421 -109867.5230 299.5748 -161994.5650 -109501.9016 299.2426 -3.9274 25.3571 760418.3352 17.8274 17.7618 PRESSURE: 4561000 -76.5606 -29.2756 -62.3181 -29.2746 253.838 -4.34722 -62.3175 -4.34715 186.386 GPRESSURE: 4561000 -61.4115 -37.5602 -24.2931 -14.7974 312.479 72.3026 -141.388 63.3544 190.877 PRESSAVG: 4561000 27.4005 33.8713 -3.83685 33.8714 -21.69 16.9299 -3.83687 16.9298 16.663 GPRESSAVG: 4561000 28.3624 33.4056 -5.20981 34.7067 -21.4243 18.9326 -0.718906 18.0819 15.2716 TIMING: 4561000 CPU: 14493.7, 0.00314657/step Wall: 14493.7, 0.00314658/step, 0.383707 hours remaining, 238.093750 MB of memory in use. ENERGY: 4561000 3923.5983 20692.4078 14482.2950 253.9673 -203890.6645 2835.1036 0.0000 0.0000 52000.9535 -109702.3389 298.8502 -161703.2924 -109333.0025 298.6448 121.2211 147.3150 759643.7982 7.4578 7.4033 PRESSURE: 4561200 54.0014 -0.313372 53.3258 -0.313651 -227.493 -32.5578 53.3245 -32.5587 -112.036 GPRESSURE: 4561200 49.7774 100.952 -2.28964 68.5332 -149.771 3.17812 -31.1856 -143.498 -105.875 PRESSAVG: 4561200 32.7595 -3.28189 -6.00519 -3.28192 -44.8764 33.5622 -6.00516 33.5622 5.60642 GPRESSAVG: 4561200 32.1368 -1.73277 -5.91568 -3.9429 -43.9816 32.3103 -9.67786 33.4828 5.52249 TIMING: 4561200 CPU: 14494.3, 0.00316548/step Wall: 14494.3, 0.00316548/step, 0.385837 hours remaining, 238.093750 MB of memory in use. ENERGY: 4561200 4019.3575 20618.9455 14491.3966 238.9237 -203946.2691 2684.9977 0.0000 0.0000 52235.4023 -109657.2458 300.1976 -161892.6482 -109302.5209 299.4623 -95.1761 -68.6227 761048.4388 -2.1701 -2.1074 PRESSURE: 4561400 71.1006 -302.584 42.3094 -302.583 75.032 -143.636 42.3088 -143.636 -521.984 GPRESSURE: 4561400 140.029 -247.783 28.8002 -143.617 7.44973 -138.679 28.4517 -94.0367 -432.382 PRESSAVG: 4561400 104.113 10.6328 -41.2927 10.6328 -129.909 22.4823 -41.2928 22.4823 1.62669 GPRESSAVG: 4561400 104.003 9.31618 -42.0727 9.75214 -130.33 23.7396 -39.7454 23.5319 2.29777 TIMING: 4561400 CPU: 14495, 0.00316386/step Wall: 14495, 0.00316386/step, 0.385463 hours remaining, 238.093750 MB of memory in use. ENERGY: 4561400 3997.2652 20652.6762 14449.8826 238.1479 -203036.4382 2083.1590 0.0000 0.0000 52039.3093 -109575.9981 299.0706 -161615.3074 -109209.3269 299.6208 -125.2837 -94.9679 760163.8415 -8.0563 -8.0097 PRESSURE: 4561600 -309.914 -98.8788 -71.1734 -98.8793 -245.678 1.77681 -71.174 1.77653 -42.7759 GPRESSURE: 4561600 -183.21 -72.9488 -64.6181 -99.8725 -202.673 -78.559 -77.0487 -41.8735 -105.62 PRESSAVG: 4561600 23.9686 23.933 -41.6317 23.933 -32.0492 2.51425 -41.6318 2.51435 6.38683 GPRESSAVG: 4561600 24.7928 23.8791 -39.8331 27.0218 -32.6944 2.01555 -42.6625 1.07039 6.30466 TIMING: 4561600 CPU: 14495.6, 0.00315053/step Wall: 14495.6, 0.00315053/step, 0.383664 hours remaining, 238.093750 MB of memory in use. ENERGY: 4561600 4027.8062 20504.1466 14438.3462 248.9394 -203538.7547 2496.3835 0.0000 0.0000 52059.9371 -109763.1957 299.1892 -161823.1328 -109399.6880 299.1475 -199.4560 -163.8343 761317.3566 -0.5646 -0.5323 PRESSURE: 4561800 -99.012 238.182 95.051 238.182 -22.8007 170.022 95.0515 170.022 168.402 GPRESSURE: 4561800 -116.788 197.111 75.6449 92.933 93.2836 243.895 101.299 201.276 150.535 PRESSAVG: 4561800 -7.29267 17.5902 6.98522 17.5903 7.43696 11.2755 6.98527 11.2754 -3.0017 GPRESSAVG: 4561800 -7.9226 16.8231 7.08899 15.0646 7.98574 12.9868 5.59863 13.0449 -2.75113 TIMING: 4561800 CPU: 14496.2, 0.00316793/step Wall: 14496.2, 0.00316793/step, 0.385608 hours remaining, 238.093750 MB of memory in use. ENERGY: 4561800 4066.9567 20550.8066 14405.7520 233.2084 -203696.0864 2666.9408 0.0000 0.0000 52147.8207 -109624.6010 299.6942 -161772.4217 -109261.9543 299.0504 15.5299 42.3437 762164.3886 -0.9525 -0.8960 PRESSURE: 4562000 108.223 156.881 14.2001 156.883 33.5724 -177.991 14.2002 -177.991 -107.194 GPRESSURE: 4562000 116.255 91.655 -11.7416 71.7058 64.56 -128.971 78.193 23.993 -42.6026 PRESSAVG: 4562000 -10.6559 27.2225 -13.6727 27.2225 17.5444 0.463849 -13.6727 0.463778 -8.43117 GPRESSAVG: 4562000 -9.65533 27.8958 -14.6868 27.7418 15.9309 -1.71825 -10.7805 0.324194 -7.76709 TIMING: 4562000 CPU: 14496.9, 0.00317311/step Wall: 14496.9, 0.00317311/step, 0.386061 hours remaining, 238.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4562000 4032.1978 20703.8332 14420.7633 236.4144 -203445.6027 2462.7628 0.0000 0.0000 51969.0983 -109620.5329 298.6671 -161589.6312 -109259.9165 299.1341 11.5336 46.0708 760420.7547 -0.5142 -0.4972 PRESSURE: 4562200 -180.171 -179.253 47.0981 -179.252 -189.75 -385.114 47.0985 -385.115 -387.594 GPRESSURE: 4562200 -132.203 -228.996 -51.1662 -47.4616 -184.522 -397.131 234.958 -232.694 -356.931 PRESSAVG: 4562200 22.6872 10.8819 10.7695 10.8819 -47.4818 -32.0136 10.7694 -32.0136 -4.67043 GPRESSAVG: 4562200 22.5222 12.849 11.118 11.0611 -46.4853 -30.1362 9.34482 -32.5298 -5.38577 TIMING: 4562200 CPU: 14497.5, 0.00318043/step Wall: 14497.5, 0.00318043/step, 0.386776 hours remaining, 238.093750 MB of memory in use. ENERGY: 4562200 4028.0460 20547.5761 14493.3659 249.7672 -203916.5619 2464.9492 0.0000 0.0000 52203.7316 -109929.1260 300.0156 -162132.8576 -109561.3834 298.8688 -252.5053 -224.5520 760816.3285 -9.8217 -9.7830 PRESSURE: 4562400 -66.4658 -35.2318 -77.6915 -35.2319 -293.775 -137.579 -77.6914 -137.579 -278.513 GPRESSURE: 4562400 20.6606 -37.6101 -4.61037 -119.787 -317.242 -143.897 -133.785 -124.565 -263.484 PRESSAVG: 4562400 68.9893 -23.3927 -23.4424 -23.3927 -102.003 28.6154 -23.4424 28.6153 20.3812 GPRESSAVG: 4562400 67.4168 -25.3404 -24.4088 -23.7271 -100.972 28.0606 -24.1653 27.1254 21.2318 TIMING: 4562400 CPU: 14498.1, 0.00317589/step Wall: 14498.1, 0.00317589/step, 0.386047 hours remaining, 238.093750 MB of memory in use. ENERGY: 4562400 4025.9880 20649.9966 14411.1447 238.3672 -203730.3457 2408.9375 0.0000 0.0000 51954.4023 -110041.5094 298.5827 -161995.9118 -109689.4028 298.4939 -212.9182 -186.6885 760799.9492 -4.2110 -4.1079 PRESSURE: 4562600 -269.979 72.2367 -211.006 72.2375 -66.989 -127.462 -211.004 -127.46 -289.242 GPRESSURE: 4562600 -297.799 93.6215 -163.823 -6.98215 -57.0386 -252.482 -77.723 -102.366 -195.763 PRESSAVG: 4562600 50.6848 22.6921 -6.88032 22.6921 -37.4423 -13.7511 -6.88027 -13.7511 -19.4658 GPRESSAVG: 4562600 52.6769 24.2543 -6.1305 22.51 -38.4425 -15.7245 -7.42044 -11.9696 -20.5318 TIMING: 4562600 CPU: 14498.8, 0.00318454/step Wall: 14498.8, 0.00318454/step, 0.386922 hours remaining, 238.093750 MB of memory in use. ENERGY: 4562600 3966.6457 20667.6310 14414.8777 246.6604 -203630.6736 2411.8576 0.0000 0.0000 51896.8804 -110026.1209 298.2521 -161923.0013 -109671.1294 298.3606 -208.7368 -183.5333 760944.4511 -2.0744 -2.0991 PRESSURE: 4562800 362.55 10.5769 -17.507 10.5773 -378.815 123.616 -17.5071 123.615 64.9152 GPRESSURE: 4562800 321.071 -85.3699 -9.31721 -23.6086 -338.719 177.603 -79.7528 98.5905 153.305 PRESSAVG: 4562800 56.733 -6.39315 -30.6356 -6.39314 -30.1319 -8.52014 -30.6356 -8.52013 6.04746 GPRESSAVG: 4562800 55.779 -6.7315 -31.6898 -7.25088 -29.129 -7.75535 -27.8394 -8.22833 6.55097 TIMING: 4562800 CPU: 14499.4, 0.0031795/step Wall: 14499.4, 0.0031795/step, 0.386133 hours remaining, 238.093750 MB of memory in use. ENERGY: 4562800 4069.1529 20713.5222 14456.6077 274.1677 -204011.7007 2567.1582 0.0000 0.0000 52075.4006 -109855.6914 299.2780 -161931.0921 -109491.4154 298.9033 16.2169 45.2189 759181.8302 10.8829 11.0670 PRESSURE: 4563000 118.117 -278.012 120.539 -278.014 129.825 -108.388 120.54 -108.39 -213.588 GPRESSURE: 4563000 177.722 -246.195 122.072 -258.621 147.17 -40.0253 -5.1768 -22.4524 -206.34 PRESSAVG: 4563000 -13.7812 -39.4835 12.011 -39.4835 17.5878 -28.406 12.011 -28.4061 -15.5788 GPRESSAVG: 4563000 -12.9277 -38.3965 14.2662 -38.4066 16.7022 -28.3869 9.53278 -28.1233 -15.1716 TIMING: 4563000 CPU: 14500, 0.00314359/step Wall: 14500, 0.00314359/step, 0.381597 hours remaining, 238.093750 MB of memory in use. ENERGY: 4563000 3995.1726 20535.8361 14506.7367 248.0888 -204076.7733 2725.1215 0.0000 0.0000 51972.3497 -110093.4679 298.6858 -162065.8176 -109718.0138 298.9966 11.4513 39.5176 759556.2410 -3.9241 -3.7990 PRESSURE: 4563200 86.1746 14.2917 -5.52237 14.2925 -146.213 204.231 -5.52229 204.232 215.747 GPRESSURE: 4563200 184.372 108.91 -70.6398 30.8051 -89.9342 178.706 -61.9194 129.496 145.318 PRESSAVG: 4563200 -24.7205 10.3436 67.8305 10.3436 16.4935 -50.5101 67.8305 -50.51 -15.3186 GPRESSAVG: 4563200 -24.6909 9.50286 65.3157 9.97201 16.92 -50.3004 67.5794 -51.2958 -15.6153 TIMING: 4563200 CPU: 14500.7, 0.00315552/step Wall: 14500.7, 0.00315552/step, 0.38287 hours remaining, 238.093750 MB of memory in use. ENERGY: 4563200 4031.7329 20499.4772 14458.7259 274.3841 -203602.2861 2642.7312 0.0000 0.0000 51905.7864 -109789.4485 298.3033 -161695.2348 -109428.2356 298.4620 51.9027 79.9183 760834.8964 -7.8485 -7.7954 PRESSURE: 4563400 461.19 -243.455 26.2346 -243.456 153.849 -162.05 26.2343 -162.05 229.621 GPRESSURE: 4563400 435.108 -214.489 -6.31927 -223.054 155.684 -168.317 35.606 -141.914 344.149 PRESSAVG: 4563400 5.59116 -39.449 -14.2434 -39.449 -16.2524 -76.1923 -14.2434 -76.1922 21.5066 GPRESSAVG: 4563400 5.35002 -39.214 -11.6676 -39.1003 -17.2213 -76.4664 -12.6418 -73.9887 22.2453 TIMING: 4563400 CPU: 14501.3, 0.00315688/step Wall: 14501.3, 0.00315688/step, 0.38286 hours remaining, 238.093750 MB of memory in use. ENERGY: 4563400 3989.9394 20639.7617 14496.6900 235.4757 -203852.3311 2715.8850 0.0000 0.0000 52127.4656 -109647.1137 299.5773 -161774.5793 -109282.6506 299.0034 281.5531 311.6469 759394.3760 3.6151 3.4580 PRESSURE: 4563600 396.067 -93.9261 -308.799 -93.9258 -187.201 -91.717 -308.798 -91.7164 247.26 GPRESSURE: 4563600 431.361 -50.2312 -165.13 40.4745 -140.74 -42.279 -330.292 -136.591 248.925 PRESSAVG: 4563600 35.8217 -53.7241 -10.3642 -53.7241 4.80626 -37.4599 -10.3643 -37.4598 5.56395 GPRESSAVG: 4563600 34.9721 -55.0193 -11.2838 -53.5919 7.09613 -37.6469 -10.9557 -40.4653 3.75281 TIMING: 4563600 CPU: 14501.9, 0.00315894/step Wall: 14501.9, 0.00315894/step, 0.382934 hours remaining, 238.093750 MB of memory in use. ENERGY: 4563600 3974.6337 20585.2343 14443.6356 239.4914 -203630.5289 2485.5944 0.0000 0.0000 52320.4997 -109581.4399 300.6866 -161901.9396 -109217.6322 299.2665 152.0423 179.8486 758478.5992 15.3973 15.2737 PRESSURE: 4563800 1.79233 -111.917 72.1718 -111.917 -79.5142 141.889 72.172 141.889 -57.3337 GPRESSURE: 4563800 29.4239 -118.364 37.225 -6.43297 -49 38.05 27.16 73.1963 -46.4038 PRESSAVG: 4563800 11.4757 -22.3088 -11.592 -22.3089 -36.0686 -45.24 -11.5921 -45.2401 2.78324 GPRESSAVG: 4563800 11.3537 -21.7582 -12.3443 -22.3591 -36.2476 -44.9446 -11.1879 -45.6315 2.38917 TIMING: 4563800 CPU: 14502.6, 0.00315409/step Wall: 14502.6, 0.00315409/step, 0.382171 hours remaining, 238.093750 MB of memory in use. ENERGY: 4563800 4080.8885 20702.1825 14407.4908 250.1168 -203539.9770 2550.4062 0.0000 0.0000 51749.7562 -109799.1360 297.4066 -161548.8922 -109433.2015 299.7487 -45.0185 -21.9933 759653.9845 -7.2699 -7.5016 PRESSURE: 4564000 85.3994 37.6108 -233.107 37.6111 -119.938 -206.339 -233.107 -206.339 -23.2625 GPRESSURE: 4564000 106.307 27.4376 -302.725 46.0168 -10.8444 -149.78 -272.969 -80.9503 -78.757 PRESSAVG: 4564000 24.2431 -20.2063 26.9345 -20.2063 -9.1113 6.65731 26.9345 6.65733 8.70744 GPRESSAVG: 4564000 24.6473 -18.6327 27.713 -20.9246 -10.348 6.53149 26.2953 7.55129 9.40634 TIMING: 4564000 CPU: 14503.2, 0.00316449/step Wall: 14503.2, 0.00316449/step, 0.383255 hours remaining, 238.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4564000 3984.8117 20544.6152 14392.3728 262.6613 -203299.2250 2444.0049 0.0000 0.0000 51972.7370 -109698.0221 298.6880 -161670.7590 -109325.3170 298.8662 -19.2668 5.5684 760513.7897 7.9464 7.9019 PRESSURE: 4564200 -61.9094 -104.537 -160.63 -104.537 314.912 133.299 -160.63 133.3 -77.0517 GPRESSURE: 4564200 -51.9202 3.70983 -91.9575 -5.47214 308.742 124.924 -111.304 133.865 -5.35545 PRESSAVG: 4564200 16.141 -15.0653 -28.9888 -15.0652 -20.727 -47.7226 -28.9888 -47.7226 7.52482 GPRESSAVG: 4564200 16.6101 -15.6573 -31.1854 -14.8857 -21.0037 -47.5128 -26.388 -47.1122 7.38183 TIMING: 4564200 CPU: 14503.8, 0.00316246/step Wall: 14503.8, 0.00316246/step, 0.382834 hours remaining, 238.093750 MB of memory in use. ENERGY: 4564200 3994.2991 20433.0495 14499.6007 248.4804 -203635.0518 2631.7582 0.0000 0.0000 52155.4816 -109672.3824 299.7383 -161827.8640 -109309.4952 298.8000 58.6502 83.8220 761224.4672 0.9796 0.9961 LDB: ============= START OF LOAD BALANCING ============== 14516.2 LDB: ============== END OF LOAD BALANCING =============== 14516.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14516.2 LDB: ============= START OF LOAD BALANCING ============== 14516.6 LDB: Largest compute 7075 load 0.035418 is 18.1% of average load 0.195955 LDB: Average compute 0.004406 is 2.2% of average load 0.195955 LDB: TIME 14516.6 LOAD: AVG 0.195955 MAX 0.221155 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 14516.6 LOAD: AVG 0.195955 MAX 0.221155 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.156 MB LDB: TIME 14516.6 LOAD: AVG 0.195955 MAX 0.219208 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.156 MB LDB: ============== END OF LOAD BALANCING =============== 14516.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14516.6 PRESSURE: 4564400 -81.7185 150.446 -9.35127 150.446 73.0919 -50.993 -9.3514 -50.9932 269.99 GPRESSURE: 4564400 -60.863 226.729 -31.4714 44.1472 94.8671 -48.8733 -61.5912 -142.913 318.213 PRESSAVG: 4564400 1.14758 -14.2704 10.1049 -14.2704 20.1906 -19.0432 10.1049 -19.0432 -4.30503 GPRESSAVG: 4564400 0.912067 -13.6433 11.6305 -15.8733 19.8034 -19.9953 9.27136 -18.1512 -3.45922 TIMING: 4564400 CPU: 14504.5, 0.00324188/step Wall: 14504.5, 0.00324188/step, 0.392267 hours remaining, 237.894531 MB of memory in use. ENERGY: 4564400 3927.0244 20570.2063 14417.0574 246.0907 -203519.9955 2740.7455 0.0000 0.0000 52082.2652 -109536.6061 299.3175 -161618.8713 -109167.3052 299.3017 87.1213 117.4059 761378.6078 5.6777 5.7521 PRESSURE: 4564600 76.6431 -56.0668 -76.3172 -56.0686 -82.2511 260.737 -76.3171 260.737 81.0284 GPRESSURE: 4564600 10.8265 12.6204 0.465106 -56.2661 -23.4939 199.515 39.0413 190.105 179.18 PRESSAVG: 4564600 22.28 21.6421 19.7372 21.6422 -4.13774 -42.5819 19.7371 -42.5819 -5.43355 GPRESSAVG: 4564600 22.1959 20.7753 21.6408 23.5158 -3.10143 -43.0156 17.5968 -42.6424 -6.17995 TIMING: 4564600 CPU: 14505.1, 0.00317731/step Wall: 14505.1, 0.00317731/step, 0.384278 hours remaining, 237.894531 MB of memory in use. ENERGY: 4564600 4048.2735 20527.1219 14458.8745 246.9303 -203270.6885 2486.0113 0.0000 0.0000 51837.4250 -109666.0521 297.9104 -161503.4771 -109313.7306 299.2524 25.1401 55.5043 760806.6721 4.2362 4.3048 PRESSURE: 4564800 -292.09 65.4792 122.293 65.4791 94.5324 -238.134 122.293 -238.134 150.601 GPRESSURE: 4564800 -212.916 71.2801 46.7258 78.4493 120.894 -311.222 49.3135 -123.62 130.023 PRESSAVG: 4564800 33.3154 16.0641 -7.4123 16.0641 -11.8511 -13.37 -7.41235 -13.3699 13.4419 GPRESSAVG: 4564800 33.0484 15.1125 -8.93056 16.0668 -12.0923 -13.1427 -4.82714 -13.3843 13.3717 TIMING: 4564800 CPU: 14505.7, 0.00316614/step Wall: 14505.7, 0.00316614/step, 0.382751 hours remaining, 237.894531 MB of memory in use. ENERGY: 4564800 4058.2155 20429.0891 14403.1049 250.1076 -203519.2793 2444.0965 0.0000 0.0000 52202.9567 -109731.7089 300.0111 -161934.6656 -109371.2026 298.8404 -15.6522 12.6668 760830.4441 11.6354 11.4426 PRESSURE: 4565000 -235.998 -190.571 -85.2919 -190.571 -440.719 -15.2018 -85.2918 -15.2018 -186.06 GPRESSURE: 4565000 -206.104 -204.603 -11.3198 -168.901 -399.576 -9.27417 26.8437 50.1153 -179.365 PRESSAVG: 4565000 -21.6403 15.6255 18.7641 15.6255 -32.682 -22.8039 18.7641 -22.8039 11.2091 GPRESSAVG: 4565000 -21.8136 17.109 18.9036 15.2122 -32.1714 -22.9077 18.2375 -22.1219 11.1035 TIMING: 4565000 CPU: 14506.4, 0.00319792/step Wall: 14506.4, 0.00319792/step, 0.386415 hours remaining, 237.894531 MB of memory in use. ENERGY: 4565000 4052.5697 20588.3233 14410.8020 250.4572 -203233.8783 2309.6251 0.0000 0.0000 51800.5270 -109821.5740 297.6983 -161622.1010 -109467.8669 298.9018 -287.5925 -261.6818 761199.4794 -14.3710 -14.2938 PRESSURE: 4565200 -66.9858 22.7075 106.246 22.708 218.964 11.3761 106.245 11.3766 -160.631 GPRESSURE: 4565200 -28.0055 96.2752 137.521 -79.6891 159.441 -84.6007 193.05 -34.0747 -52.4631 PRESSAVG: 4565200 24.5496 8.69314 10.6397 8.69317 -3.803 24.3603 10.6398 24.3604 -2.476 GPRESSAVG: 4565200 25.8345 11.1495 9.39023 7.36779 -5.7195 25.2778 11.4724 21.7974 -1.41862 TIMING: 4565200 CPU: 14507, 0.00315436/step Wall: 14507, 0.00315436/step, 0.380977 hours remaining, 237.894531 MB of memory in use. ENERGY: 4565200 4068.2724 20508.8368 14418.4254 243.5059 -203658.9021 2572.2928 0.0000 0.0000 52138.9725 -109708.5962 299.6434 -161847.5688 -109352.3345 298.6852 -2.8844 26.3241 760323.4132 6.0902 6.2321 PRESSURE: 4565400 67.4902 210.794 135.755 210.795 -193.28 7.0492 135.755 7.04848 15.1089 GPRESSURE: 4565400 120.034 177.832 137.661 253.745 -164.928 -25.1799 41.0577 -27.5314 -2.07816 PRESSAVG: 4565400 -19.8243 -19.5577 -8.43481 -19.5577 34.0998 23.8074 -8.43479 23.8074 9.78815 GPRESSAVG: 4565400 -21.5966 -21.3195 -8.78418 -18.182 36.2619 23.6728 -8.12764 26.3784 8.95074 TIMING: 4565400 CPU: 14507.7, 0.00316743/step Wall: 14507.7, 0.00316743/step, 0.382379 hours remaining, 237.894531 MB of memory in use. ENERGY: 4565400 3970.4351 20603.6257 14407.7330 245.5903 -203277.8807 2413.5479 0.0000 0.0000 51789.4867 -109847.4620 297.6349 -161636.9487 -109487.0748 298.5546 -36.8938 -15.6572 761627.4117 8.0212 7.8720 PRESSURE: 4565600 -99.1949 -18.6079 -118.803 -18.6084 -93.0148 38.7664 -118.804 38.767 -366.1 GPRESSURE: 4565600 -189.888 -59.6924 -98.7463 -69.7084 0.511329 1.42877 -11.6666 -16.4153 -298.174 PRESSAVG: 4565600 -18.428 41.7218 26.9486 41.7218 53.3751 -9.63681 26.9486 -9.63667 31.0349 GPRESSAVG: 4565600 -18.3945 41.6364 28.3218 42.5136 53.4752 -8.19153 24.1637 -12.5681 30.3954 TIMING: 4565600 CPU: 14508.3, 0.00317237/step Wall: 14508.3, 0.00317237/step, 0.382799 hours remaining, 237.894531 MB of memory in use. ENERGY: 4565600 4059.9799 20495.6960 14448.9654 237.5170 -203558.4682 2445.2394 0.0000 0.0000 52074.1195 -109796.9509 299.2707 -161871.0704 -109437.2675 298.3573 -186.1033 -162.5169 760368.1909 21.9940 21.8254 PRESSURE: 4565800 127.548 125.525 27.867 125.525 -246.172 -5.97146 27.8667 -5.9723 82.9686 GPRESSURE: 4565800 183.524 55.1928 102.202 108.117 -180.625 -48.3983 48.5466 38.845 60.8555 PRESSAVG: 4565800 31.0367 10.2376 52.801 10.2375 -48.6921 17.8999 52.801 17.8999 -30.9457 GPRESSAVG: 4565800 31.8065 10.4547 53.8047 7.09037 -49.162 16.5274 54.0465 20.9892 -31.3878 TIMING: 4565800 CPU: 14508.9, 0.00319805/step Wall: 14508.9, 0.00319805/step, 0.38572 hours remaining, 237.894531 MB of memory in use. ENERGY: 4565800 3961.4308 20593.0232 14473.0044 264.9686 -203512.8335 2483.0960 0.0000 0.0000 52028.1333 -109709.1771 299.0064 -161737.3105 -109348.1126 298.9204 -11.8852 21.2512 760451.8943 -16.2003 -16.2477 PRESSURE: 4566000 -235.021 82.1676 -134.372 82.168 -140.181 -51.4465 -134.373 -51.446 183.586 GPRESSURE: 4566000 -199.723 44.4097 -131.767 116.557 -104.545 30.6191 -78.5084 -107.218 216.376 PRESSAVG: 4566000 10.3506 -56.8448 1.86569 -56.8448 -3.96628 16.3164 1.86567 16.3162 -18.7873 GPRESSAVG: 4566000 9.6215 -56.9974 0.278974 -53.3695 -4.31381 16.9706 0.767759 13.6338 -17.7266 TIMING: 4566000 CPU: 14509.6, 0.00318897/step Wall: 14509.6, 0.00318897/step, 0.384449 hours remaining, 237.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4566000 4012.5908 20437.9596 14362.4661 238.9221 -203475.7660 2588.8690 0.0000 0.0000 51984.7438 -109850.2146 298.7570 -161834.9584 -109476.5769 298.7134 -63.8722 -29.2971 759327.8225 -4.1343 -4.1396 PRESSURE: 4566200 -86.9938 -34.3378 -110.736 -34.3381 -117.897 48.8892 -110.737 48.8894 -8.70921 GPRESSURE: 4566200 -58.1386 93.0913 -145.931 -140.486 -78.8457 47.5661 13.4861 81.1198 6.62514 PRESSAVG: 4566200 -13.9447 -44.3656 -50.7778 -44.3656 35.6523 4.7326 -50.7778 4.7326 18.6918 GPRESSAVG: 4566200 -13.7704 -42.9225 -49.0188 -47.7313 36.5385 3.55486 -50.9176 6.47724 18.1486 TIMING: 4566200 CPU: 14510.2, 0.00314351/step Wall: 14510.2, 0.00314351/step, 0.378793 hours remaining, 237.894531 MB of memory in use. ENERGY: 4566200 3985.7877 20564.5696 14439.8583 248.8958 -203392.7383 2573.5100 0.0000 0.0000 51860.1087 -109720.0082 298.0408 -161580.1170 -109370.7470 299.2856 -71.1998 -43.4531 761637.5215 13.4665 13.6389 PRESSURE: 4566400 -51.4549 165.618 51.458 165.617 17.1381 4.14149 51.4576 4.14166 -73.437 GPRESSURE: 4566400 8.7422 128.023 68.63 66.3351 40.8105 -92.5965 171.478 51.4355 -69.0538 PRESSAVG: 4566400 -10.1743 -4.93351 13.665 -4.93349 -29.8519 -35.0669 13.665 -35.0668 30.5252 GPRESSAVG: 4566400 -9.80168 -6.36612 12.3643 -4.22215 -29.9072 -33.7892 13.0756 -37.6361 30.2103 TIMING: 4566400 CPU: 14510.8, 0.00313942/step Wall: 14510.8, 0.00313942/step, 0.378126 hours remaining, 237.894531 MB of memory in use. ENERGY: 4566400 3937.9468 20328.6966 14407.3052 244.3535 -203502.1520 2524.3687 0.0000 0.0000 52171.1634 -109888.3177 299.8284 -162059.4811 -109529.0057 298.3905 -35.9179 -6.5004 762974.1113 -3.1670 -3.1662 PRESSURE: 4566600 -429.415 91.4328 -61.6574 91.4327 140.78 102.616 -61.6575 102.615 -199.032 GPRESSURE: 4566600 -342.592 117.381 -41.6619 -3.99599 167.871 178.205 -132.513 -89.7275 -218.049 PRESSAVG: 4566600 43.1627 -11.4285 -0.433972 -11.4285 -12.5713 -7.46464 -0.433988 -7.46457 10.4376 GPRESSAVG: 4566600 43.3027 -12.0937 0.0655127 -10.4658 -13.0937 -8.6703 -0.264383 -6.18761 10.7813 TIMING: 4566600 CPU: 14511.4, 0.00314281/step Wall: 14511.4, 0.00314281/step, 0.378359 hours remaining, 237.894531 MB of memory in use. ENERGY: 4566600 3944.0370 20396.2767 14411.2714 274.8498 -203197.6240 2420.9740 0.0000 0.0000 52149.0540 -109601.1611 299.7013 -161750.2151 -109240.6241 298.9047 -162.5555 -130.9236 761843.7039 13.6763 13.6634 PRESSURE: 4566800 30.8058 -0.722484 112.24 -0.722849 327.233 146.472 112.24 146.472 -104.942 GPRESSURE: 4566800 126.699 68.207 177.738 -49.0247 272.119 128.116 121.473 130.686 -48.1973 PRESSAVG: 4566800 24.3673 26.4212 -16.7365 26.4212 -30.2824 -101.679 -16.7365 -101.679 -28.3516 GPRESSAVG: 4566800 23.3949 28.0108 -16.8615 25.8774 -29.0565 -101.851 -14.8586 -100.75 -28.3238 TIMING: 4566800 CPU: 14512.1, 0.00314361/step Wall: 14512.1, 0.00314361/step, 0.378281 hours remaining, 237.894531 MB of memory in use. ENERGY: 4566800 4072.0532 20382.6039 14467.8797 259.2996 -203304.2049 2649.3008 0.0000 0.0000 52038.8257 -109434.2419 299.0678 -161473.0677 -109070.7139 299.0188 84.3658 116.8735 761185.7345 -11.4222 -11.3285 PRESSURE: 4567000 217.71 -220.776 -298.477 -220.776 -224.131 -147.433 -298.476 -147.433 537.833 GPRESSURE: 4567000 215.783 -174.762 -255.336 -238.685 -80.9618 -160.867 -257.832 -75.6153 491.456 PRESSAVG: 4567000 88.822 -62.1203 16.9725 -62.1204 -83.3307 1.7041 16.9725 1.70405 -36.0905 GPRESSAVG: 4567000 88.5396 -61.4108 16.6671 -61.7103 -83.1985 1.49976 15.14 3.01558 -36.2942 TIMING: 4567000 CPU: 14512.7, 0.00313766/step Wall: 14512.7, 0.00313766/step, 0.377391 hours remaining, 237.894531 MB of memory in use. ENERGY: 4567000 3989.4927 20589.1075 14436.1705 235.1507 -203188.2239 2401.5491 0.0000 0.0000 52003.3535 -109533.3997 298.8640 -161536.7533 -109178.6138 299.6305 177.1374 208.7590 760937.1253 -10.1997 -10.3177 PRESSURE: 4567200 27.4207 188.489 312.523 188.489 -71.1292 14.9299 312.524 14.9302 270.796 GPRESSURE: 4567200 63.8333 121.522 353.838 74.6659 -89.4583 -4.51613 282.026 129.708 322.826 PRESSAVG: 4567200 53.5156 33.4851 65.3939 33.485 -32.0777 3.14427 65.3938 3.14418 -4.42295 GPRESSAVG: 4567200 52.5523 32.2442 65.3128 33.8927 -31.9344 3.67957 67.6653 1.33747 -3.80116 TIMING: 4567200 CPU: 14513.3, 0.00315744/step Wall: 14513.3, 0.00315744/step, 0.379594 hours remaining, 237.894531 MB of memory in use. ENERGY: 4567200 4138.9358 20541.3713 14473.7240 234.8860 -203710.6567 2867.3901 0.0000 0.0000 51955.9726 -109498.3769 298.5917 -161454.3494 -109146.4852 299.1399 75.6959 99.0672 760627.5224 5.6716 5.6056 PRESSURE: 4567400 -21.1143 47.4473 111.379 47.4475 -21.7925 -6.16796 111.378 -6.16853 -218.412 GPRESSURE: 4567400 123.13 40.2601 74.1765 40.2509 -120.032 -56.3034 -23.2086 -98.2216 -206.088 PRESSAVG: 4567400 9.0392 -40.382 -12.7321 -40.382 -78.2695 -16.0738 -12.7322 -16.0739 12.4397 GPRESSAVG: 4567400 10.8944 -38.0192 -12.3451 -42.3825 -80.5006 -15.794 -16.7616 -14.3504 13.0612 TIMING: 4567400 CPU: 14514, 0.00314981/step Wall: 14514, 0.00314981/step, 0.378503 hours remaining, 237.894531 MB of memory in use. ENERGY: 4567400 4014.7480 20494.4548 14458.8875 249.2482 -203562.9639 2500.0264 0.0000 0.0000 52193.5925 -109652.0066 299.9573 -161845.5991 -109284.2360 299.1178 -87.1061 -67.6631 761422.8992 -18.9302 -18.8483 PRESSURE: 4567600 -35.5649 164.456 -276.455 164.456 -67.9153 4.20905 -276.455 4.21061 298.286 GPRESSURE: 4567600 52.5219 75.5297 -210.692 209.699 -27.1769 -32.2282 -194.629 -65.6432 262.264 PRESSAVG: 4567600 24.9895 0.420067 55.1526 0.42001 -25.6041 -6.79784 55.1526 -6.79782 -6.56422 GPRESSAVG: 4567600 24.4455 -1.64557 56.0974 3.12933 -24.5982 -6.26245 58.4018 -7.7489 -7.49765 TIMING: 4567600 CPU: 14514.6, 0.00317202/step Wall: 14514.6, 0.00317202/step, 0.380995 hours remaining, 237.894531 MB of memory in use. ENERGY: 4567600 3980.2689 20440.4534 14441.1499 245.9433 -202967.8950 2454.2944 0.0000 0.0000 51960.6600 -109445.1252 298.6186 -161405.7851 -109082.0583 298.7381 64.9353 95.8698 761816.9931 -2.3929 -2.5501 PRESSURE: 4567800 192.33 -204.456 -142.314 -204.456 -194.306 131.92 -142.314 131.92 -171.08 GPRESSURE: 4567800 236.636 -78.5298 -137.202 -120.202 -253.234 163.976 -102.241 95.6589 -62.5372 PRESSAVG: 4567800 50.1778 16.2064 -19.2538 16.2064 -31.3296 -25.199 -19.2539 -25.1989 -5.70412 GPRESSAVG: 4567800 50.4627 17.0654 -19.2431 16.1263 -30.7457 -25.3346 -20.3892 -25.1414 -6.37453 TIMING: 4567800 CPU: 14515.2, 0.00315774/step Wall: 14515.2, 0.00315774/step, 0.379104 hours remaining, 237.894531 MB of memory in use. ENERGY: 4567800 3908.6940 20612.4839 14413.8455 249.7896 -202930.3219 2219.2312 0.0000 0.0000 51985.5957 -109540.6820 298.7619 -161526.2777 -109177.2087 299.0122 -57.6855 -26.3783 761432.3319 4.3814 4.4475 PRESSURE: 4568000 268.002 93.092 227.554 93.0917 -309.228 116.226 227.553 116.225 -139.617 GPRESSURE: 4568000 238.981 95.5922 268.602 -18.8313 -219.529 93.2664 171.781 104.657 -133.711 PRESSAVG: 4568000 71.8294 -28.5874 30.0273 -28.5874 -72.4224 -5.6305 30.0273 -5.63055 23.3281 GPRESSAVG: 4568000 71.3471 -28.3318 29.3382 -30.369 -72.0175 -5.56266 30.914 -5.33342 23.8358 TIMING: 4568000 CPU: 14515.9, 0.00316091/step Wall: 14515.9, 0.00316091/step, 0.37931 hours remaining, 237.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4568000 4055.1624 20511.8822 14501.3739 233.3509 -203069.8524 2306.5123 0.0000 0.0000 52223.6304 -109237.9403 300.1299 -161461.5707 -108877.1291 299.5531 -60.2811 -38.0863 761206.4927 7.5784 7.7218 PRESSURE: 4568200 223.619 -106.22 59.8466 -106.219 64.7311 -171.153 59.8473 -171.153 177.727 GPRESSURE: 4568200 298.246 -154.139 154.955 28.3894 32.028 -148.203 32.4852 -109.265 211.561 PRESSAVG: 4568200 25.8759 -25.0836 52.9317 -25.0836 -15.5161 -12.7405 52.9318 -12.7405 -16.1111 GPRESSAVG: 4568200 26.0994 -25.4364 53.822 -23.8452 -15.9652 -11.6251 51.7568 -12.934 -15.7023 TIMING: 4568200 CPU: 14516.5, 0.00315462/step Wall: 14516.5, 0.00315462/step, 0.37838 hours remaining, 237.894531 MB of memory in use. ENERGY: 4568200 4049.0254 20571.7278 14466.8486 246.9051 -202955.4053 2677.4072 0.0000 0.0000 51787.8105 -109155.6807 297.6253 -160943.4912 -108798.4844 299.6147 155.3590 180.6118 762329.9132 -1.9171 -1.8560 LDB: ============= START OF LOAD BALANCING ============== 14528.9 LDB: ============== END OF LOAD BALANCING =============== 14528.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14528.9 LDB: ============= START OF LOAD BALANCING ============== 14529.2 LDB: Largest compute 7075 load 0.035499 is 18.1% of average load 0.196074 LDB: Average compute 0.004399 is 2.2% of average load 0.196074 LDB: TIME 14529.2 LOAD: AVG 0.196074 MAX 0.217205 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 14529.2 LOAD: AVG 0.196074 MAX 0.217205 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 14529.2 LOAD: AVG 0.196074 MAX 0.217205 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: ============== END OF LOAD BALANCING =============== 14529.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14529.2 PRESSURE: 4568400 222.654 -249.675 147.949 -249.676 133.322 2.31704 147.949 2.31763 144.233 GPRESSURE: 4568400 332.843 -152.012 219.794 -259.145 157.359 -107.395 173.777 63.8696 108.406 PRESSAVG: 4568400 47.4691 -28.3759 37.1598 -28.3759 13.9839 12.4738 37.1598 12.4738 7.04208 GPRESSAVG: 4568400 48.5985 -28.389 36.5431 -29.441 14.0972 11.6738 37.9907 12.5213 6.19768 TIMING: 4568400 CPU: 14517.1, 0.00323323/step Wall: 14517.1, 0.00323323/step, 0.387628 hours remaining, 238.613281 MB of memory in use. ENERGY: 4568400 3960.2197 20504.0336 14423.0235 234.7459 -203492.0725 2694.7839 0.0000 0.0000 52216.1488 -109459.1171 300.0869 -161675.2660 -109096.1206 299.7806 166.7365 199.5362 761349.4907 22.8317 22.9645 PRESSURE: 4568600 270.265 67.7097 21.1947 67.7098 -208.653 141.405 21.1954 141.405 -57.78 GPRESSURE: 4568600 184.606 74.8934 36.9973 57.8475 -79.3154 62.7906 -28.4374 17.4031 -22.8082 PRESSAVG: 4568600 53.7579 -82.1346 -12.0893 -82.1347 -50.5159 -35.5119 -12.0892 -35.5119 -11.7643 GPRESSAVG: 4568600 52.5691 -81.8246 -12.8411 -81.6294 -50.0218 -36.1322 -12.2717 -36.1277 -11.9188 TIMING: 4568600 CPU: 14517.8, 0.00315601/step Wall: 14517.8, 0.00315601/step, 0.378195 hours remaining, 238.816406 MB of memory in use. ENERGY: 4568600 3942.3980 20577.0155 14374.8173 246.8297 -202855.7298 2276.7305 0.0000 0.0000 52048.5159 -109389.4230 299.1235 -161437.9388 -109026.4174 299.0350 1.2773 27.4943 762478.2427 -2.8408 -3.1238 PRESSURE: 4568800 -18.6209 -246.94 -117.633 -246.94 -88.1703 193.664 -117.634 193.664 -184.96 GPRESSURE: 4568800 6.4993 -95.8635 -90.1846 -389.379 -22.9895 147.393 -70.3397 251.319 -205.199 PRESSAVG: 4568800 44.7328 -82.354 43.9487 -82.354 -59.4325 0.701483 43.9487 0.701525 -15.3978 GPRESSAVG: 4568800 43.8584 -81.8711 43.4693 -82.3433 -58.8153 0.771604 43.6609 1.73011 -15.2085 TIMING: 4568800 CPU: 14518.4, 0.00316676/step Wall: 14518.4, 0.00316676/step, 0.379307 hours remaining, 238.816406 MB of memory in use. ENERGY: 4568800 4070.0806 20564.6414 14355.2129 244.5945 -203328.4992 2591.5836 0.0000 0.0000 52025.0213 -109477.3648 298.9885 -161502.3861 -109114.1431 299.6876 -97.2504 -73.8963 762102.2055 -10.0325 -10.0551 PRESSURE: 4569000 -223.682 -27.833 -83.772 -27.8337 -398.469 109.287 -83.7716 109.287 -476.039 GPRESSURE: 4569000 -166.105 41.9572 -62.2974 75.841 -347.67 111.584 45.9492 116.517 -522.876 PRESSAVG: 4569000 49.7911 -45.7193 52.9872 -45.7193 -72.1789 3.45805 52.9871 3.45799 -14.7571 GPRESSAVG: 4569000 50.4019 -46.8032 53.7129 -47.9915 -72.3797 1.9971 53.1812 4.99345 -15.5749 TIMING: 4569000 CPU: 14519, 0.00318826/step Wall: 14519, 0.00318827/step, 0.381706 hours remaining, 238.816406 MB of memory in use. ENERGY: 4569000 4091.0724 20285.9492 14363.4492 242.4365 -203260.4589 2516.0788 0.0000 0.0000 52270.1631 -109491.3097 300.3973 -161761.4728 -109115.5849 299.6089 -366.0634 -345.5505 762474.5420 -12.3816 -12.5176 PRESSURE: 4569200 27.7069 57.7619 430.308 57.7616 88.7901 68.9026 430.309 68.903 -104.099 GPRESSURE: 4569200 70.9852 19.2909 383.913 -2.56922 68.6479 65.2336 288.231 112.498 -31.5134 PRESSAVG: 4569200 52.9106 -50.2895 46.8536 -50.2895 -40.7587 66.0789 46.8536 66.0788 -9.15953 GPRESSAVG: 4569200 52.6844 -50.5325 46.9786 -46.4665 -41.543 67.7063 46.9517 65.9243 -7.8889 TIMING: 4569200 CPU: 14519.7, 0.00319064/step Wall: 14519.7, 0.00319064/step, 0.381814 hours remaining, 238.816406 MB of memory in use. ENERGY: 4569200 4036.7814 20440.1783 14447.2132 252.8365 -203584.1731 2518.2467 0.0000 0.0000 52157.5066 -109731.4104 299.7499 -161888.9170 -109362.8819 298.9215 4.1326 36.0399 761381.8835 0.9975 1.0842 PRESSURE: 4569400 -295.198 -82.9587 50.9264 -82.9598 -379.993 187.096 50.9266 187.096 -165.846 GPRESSURE: 4569400 -256.371 -55.4461 85.219 -132.726 -352.282 147.399 10.2136 266.201 -165.511 PRESSAVG: 4569400 61.3013 -78.29 38.3736 -78.2901 -60.8288 39.0468 38.3736 39.0469 12.2027 GPRESSAVG: 4569400 62.3677 -77.7977 37.9421 -79.5934 -62.636 38.6172 38.8763 38.712 12.8354 TIMING: 4569400 CPU: 14520.3, 0.00318287/step Wall: 14520.3, 0.00318287/step, 0.380707 hours remaining, 238.816406 MB of memory in use. ENERGY: 4569400 4093.2328 20548.4368 14431.6357 245.6255 -203300.6755 2320.5385 0.0000 0.0000 51849.5051 -109811.7011 297.9798 -161661.2062 -109446.4977 298.5476 -280.3459 -258.0545 763073.2677 4.2251 4.1891 PRESSURE: 4569600 -115.289 -162.252 179.975 -162.252 -202.82 -37.2609 179.975 -37.2617 9.72861 GPRESSURE: 4569600 -126.569 -33.1772 228.043 -123.747 -148.44 10.0488 151.81 106.473 30.9603 PRESSAVG: 4569600 -17.8937 -55.6608 -16.2339 -55.6607 -15.6627 -20.095 -16.2339 -20.095 7.98086 GPRESSAVG: 4569600 -17.5907 -54.2977 -16.3224 -55.1513 -15.199 -20.1837 -17.9757 -19.2554 7.08434 TIMING: 4569600 CPU: 14521, 0.00317326/step Wall: 14521, 0.00317326/step, 0.379381 hours remaining, 238.816406 MB of memory in use. ENERGY: 4569600 3966.1128 20565.7049 14408.9526 235.5942 -203625.3960 2498.9750 0.0000 0.0000 52089.3236 -109860.7328 299.3581 -161950.0564 -109496.8225 298.7203 -102.7935 -81.3495 761946.9932 -8.5252 -8.5684 PRESSURE: 4569800 66.2885 50.8834 -243.005 50.8829 -208.978 262.412 -243.005 262.412 -370.762 GPRESSURE: 4569800 56.968 64.7659 -282.401 42.6805 -176.248 298.216 -212.526 151.644 -273.882 PRESSAVG: 4569800 46.5407 -44.5172 11.8235 -44.5172 -49.7872 4.11506 11.8234 4.11501 -0.0246315 GPRESSAVG: 4569800 46.289 -44.3914 11.0679 -45.4313 -49.037 5.40819 13.7861 2.31148 0.328817 TIMING: 4569800 CPU: 14521.6, 0.0031689/step Wall: 14521.6, 0.0031689/step, 0.378684 hours remaining, 238.816406 MB of memory in use. ENERGY: 4569800 3971.0872 20472.2427 14356.3120 258.5204 -202880.4057 1994.5683 0.0000 0.0000 51853.4100 -109974.2651 298.0023 -161827.6751 -109607.2849 299.0637 -171.1506 -131.0537 760690.5946 -1.0904 -0.8064 PRESSURE: 4570000 142.333 94.9286 58.777 94.9285 -156.858 -60.7095 58.7767 -60.7102 1.20996 GPRESSURE: 4570000 196.646 79.8224 34.4657 141.522 -89.0973 -118.842 -43.0187 -7.53965 -28.3102 PRESSAVG: 4570000 53.0167 -47.5086 -39.9075 -47.5086 -62.4927 -45.3417 -39.9075 -45.3417 8.47599 GPRESSAVG: 4570000 52.2052 -49.193 -38.2632 -46.1483 -61.775 -46.3212 -41.2856 -44.3281 9.17246 TIMING: 4570000 CPU: 14522.2, 0.00315994/step Wall: 14522.2, 0.00315994/step, 0.377437 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4570000 3977.0480 20556.9719 14455.6911 242.2722 -203703.3305 2578.3234 0.0000 0.0000 51936.8493 -109956.1746 298.4818 -161893.0240 -109589.3121 299.0271 -4.4384 26.4127 760143.7810 -0.3333 -0.1324 PRESSURE: 4570200 16.606 18.1079 42.5419 18.1062 -63.7407 117.944 42.5419 117.944 296.259 GPRESSURE: 4570200 32.7658 54.9979 -4.24569 2.78863 -45.8663 167.282 -18.6642 78.0455 309.325 PRESSAVG: 4570200 -6.90889 1.44365 -20.7244 1.44367 -42.5448 -8.04542 -20.7244 -8.04544 15.0341 GPRESSAVG: 4570200 -8.01863 1.41711 -20.7274 1.79472 -42.189 -7.61766 -19.8049 -8.15535 15.3517 TIMING: 4570200 CPU: 14522.9, 0.00317547/step Wall: 14522.9, 0.00317547/step, 0.379115 hours remaining, 238.816406 MB of memory in use. ENERGY: 4570200 3970.0664 20531.4276 14408.1155 238.2413 -203677.6700 2465.2678 0.0000 0.0000 52018.4001 -110046.1513 298.9505 -162064.5514 -109682.7673 298.6118 83.0414 98.7416 761529.2182 -11.4732 -11.6186 PRESSURE: 4570400 -384.319 208.987 41.8746 208.988 -625.658 128.411 41.8742 128.412 -59.6092 GPRESSURE: 4570400 -367.234 166.755 -14.5487 123.09 -604.422 100.44 44.4641 109.758 -10.3633 PRESSAVG: 4570400 22.321 -19.0664 -59.1825 -19.0663 -17.3682 -3.00875 -59.1825 -3.00868 2.96427 GPRESSAVG: 4570400 24.0999 -18.6078 -59.1111 -19.2935 -18.2535 -4.58582 -58.6432 -1.70711 2.00611 TIMING: 4570400 CPU: 14523.5, 0.00317571/step Wall: 14523.5, 0.00317571/step, 0.378969 hours remaining, 238.816406 MB of memory in use. ENERGY: 4570400 3990.8373 20603.2622 14348.1748 237.6316 -203374.3291 2171.7815 0.0000 0.0000 51951.0580 -110071.5838 298.5634 -162022.6418 -109702.6153 298.4101 -356.5287 -327.3398 761348.8911 2.6390 2.6175 PRESSURE: 4570600 322.007 -58.7134 410.564 -58.7135 161.996 190.345 410.563 190.345 538.491 GPRESSURE: 4570600 266.296 -3.71472 272.504 -25.5224 299.166 161.147 413.525 141.835 563.734 PRESSAVG: 4570600 -26.5131 -3.76113 -14.6333 -3.76119 24.0651 -44.2176 -14.6333 -44.2176 8.09589 GPRESSAVG: 4570600 -27.5253 -2.97353 -15.2814 -3.95513 26.3314 -42.1912 -15.1751 -45.8996 7.26633 TIMING: 4570600 CPU: 14524.1, 0.00318612/step Wall: 14524.1, 0.00318612/step, 0.380034 hours remaining, 238.816406 MB of memory in use. ENERGY: 4570600 3964.0355 20524.5300 14453.7085 243.2704 -203669.8234 2782.2687 0.0000 0.0000 51830.0873 -109871.9231 297.8682 -161702.0104 -109509.0475 298.2693 340.8312 376.3986 760287.5077 1.8826 2.0241 PRESSURE: 4570800 30.6859 -18.7552 -233.171 -18.7542 -195.975 142.281 -233.171 142.281 -30.4572 GPRESSURE: 4570800 72.9221 7.8332 -248.191 -22.1006 -195.099 90.0059 -66.9997 4.10322 14.6628 PRESSAVG: 4570800 -8.06494 -23.9183 -51.0678 -23.9183 6.62388 49.8442 -51.0679 49.8442 -5.45892 GPRESSAVG: 4570800 -7.14312 -23.4507 -49.6637 -24.3187 5.07391 50.6847 -52.2096 49.0311 -4.38629 TIMING: 4570800 CPU: 14524.8, 0.0031832/step Wall: 14524.8, 0.0031832/step, 0.379509 hours remaining, 238.816406 MB of memory in use. ENERGY: 4570800 4028.0187 20574.1632 14361.3253 226.2448 -203837.8498 2814.1371 0.0000 0.0000 51825.3161 -110008.6446 297.8408 -161833.9607 -109647.9617 298.5125 -65.2488 -35.8381 761754.3297 -2.3000 -2.1518 PRESSURE: 4571000 62.2264 -80.9181 -40.4514 -80.9183 -370.534 -116.452 -40.4514 -116.452 200.537 GPRESSURE: 4571000 17.395 -166.189 -106.832 -58.0359 -280.314 -100.191 113.309 -227.063 213.915 PRESSAVG: 4571000 31.1278 -14.7394 -75.2422 -14.7393 -30.0827 -25.4461 -75.2422 -25.4462 -3.79161 GPRESSAVG: 4571000 30.4728 -14.9592 -77.5884 -14.3754 -29.5832 -27.1517 -72.181 -25.4726 -4.35609 TIMING: 4571000 CPU: 14525.4, 0.00320675/step Wall: 14525.4, 0.00320675/step, 0.382138 hours remaining, 238.816406 MB of memory in use. ENERGY: 4571000 3971.4640 20453.2569 14397.7379 239.9265 -203083.2433 2248.7975 0.0000 0.0000 51772.0854 -109999.9750 297.5349 -161772.0605 -109647.1343 298.1691 -35.9234 -16.3348 762849.2016 -0.9155 -1.1555 PRESSURE: 4571200 -106.256 6.84903 -268.834 6.84895 -39.3179 -268.395 -268.832 -268.394 -466.887 GPRESSURE: 4571200 -87.9008 -98.4625 -247.289 -94.327 -110.845 -218.812 -218.152 -79.6253 -339.075 PRESSAVG: 4571200 -23.0074 -62.494 -78.3853 -62.4939 16.1904 20.8347 -78.3853 20.8346 -4.77978 GPRESSAVG: 4571200 -23.0725 -63.6845 -77.1359 -62.8616 15.8914 20.7536 -78.3952 23.8867 -4.59052 TIMING: 4571200 CPU: 14526, 0.00319574/step Wall: 14526, 0.00319575/step, 0.380649 hours remaining, 238.816406 MB of memory in use. ENERGY: 4571200 3915.4106 20432.1233 14432.2476 232.3685 -203326.8497 2386.7303 0.0000 0.0000 51739.7458 -110188.2237 297.3490 -161927.9695 -109838.9097 298.0951 -204.1536 -179.2738 761323.1448 -3.8656 -3.9239 PRESSURE: 4571400 -295.169 -12.7262 -186.772 -12.7262 -173.479 -31.4769 -186.772 -31.4765 -414.719 GPRESSURE: 4571400 -220.367 72.0682 -237.808 -37.7789 -127.267 -111.147 -57.0794 22.4383 -440.491 PRESSAVG: 4571400 -23.1239 -13.3096 -81.4355 -13.3096 39.8013 5.88209 -81.4355 5.88208 -12.2194 GPRESSAVG: 4571400 -22.8607 -14.1643 -81.2762 -11.4593 39.4922 5.74884 -82.9748 4.85445 -11.8123 TIMING: 4571400 CPU: 14526.7, 0.00317581/step Wall: 14526.7, 0.00317581/step, 0.378098 hours remaining, 238.816406 MB of memory in use. ENERGY: 4571400 4070.3229 20426.3923 14348.0691 238.8570 -203047.3914 2018.7725 0.0000 0.0000 51749.8287 -110195.1490 297.4070 -161944.9777 -109828.3602 297.4078 -294.4554 -262.7084 761225.5600 1.4860 1.6064 PRESSURE: 4571600 -42.0985 7.00077 98.0203 7.00073 149.255 185.989 98.0209 185.988 23.8984 GPRESSURE: 4571600 167.299 20.0247 208.973 79.3498 52.5781 159.636 108.068 183.102 -2.15642 PRESSAVG: 4571600 -14.3458 -29.5227 1.21841 -29.5228 6.64565 24.3382 1.21847 24.3382 -8.6611 GPRESSAVG: 4571600 -12.5169 -26.2359 3.99917 -31.8228 5.07974 24.6665 0.00153901 24.2664 -9.0535 TIMING: 4571600 CPU: 14527.3, 0.00318/step Wall: 14527.3, 0.00318/step, 0.37842 hours remaining, 238.816406 MB of memory in use. ENERGY: 4571600 3985.1674 20373.9935 14428.3215 250.5400 -203263.6170 2428.7850 0.0000 0.0000 51496.0213 -110300.7881 295.9483 -161796.8095 -109934.3383 297.3790 43.6850 72.5736 760594.2538 -5.4538 -5.4969 PRESSURE: 4571800 -9.80598 -74.8122 -54.8792 -74.8117 133.306 -222.138 -54.8783 -222.14 444.385 GPRESSURE: 4571800 45.5092 -116.46 42.1182 -103.291 193.471 -217.801 -227.195 -123.943 421.155 PRESSAVG: 4571800 30.4552 -4.75956 36.3645 -4.75951 1.43008 6.11346 36.3646 6.11341 -15.1821 GPRESSAVG: 4571800 28.5809 -6.98104 34.1235 -3.98475 3.25787 6.40978 36.2635 6.1852 -15.0322 TIMING: 4571800 CPU: 14528, 0.00317175/step Wall: 14528, 0.00317175/step, 0.377263 hours remaining, 238.816406 MB of memory in use. ENERGY: 4571800 4079.9159 20407.7467 14485.8687 266.2259 -203736.2165 2931.5375 0.0000 0.0000 51789.9240 -109774.9979 297.6374 -161564.9219 -109423.8986 298.5711 189.2950 220.0451 760111.9258 5.5678 5.6022 PRESSURE: 4572000 -290.636 77.5995 -94.783 77.5991 130.329 59.499 -94.7833 59.4985 -30.1865 GPRESSURE: 4572000 -154.385 74.6852 -43.1814 57.536 35.7397 108.949 -64.5778 14.2976 4.98737 PRESSAVG: 4572000 86.3127 -11.0604 -5.57826 -11.0605 -102.753 3.3213 -5.57825 3.32127 28.173 GPRESSAVG: 4572000 87.3475 -10.0906 -4.87394 -12.9371 -103.671 1.88083 -4.72799 2.31779 27.1362 TIMING: 4572000 CPU: 14528.6, 0.00320786/step Wall: 14528.6, 0.00320786/step, 0.381379 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4572000 3956.6414 20419.0335 14328.0892 236.8796 -203202.9431 2285.3182 0.0000 0.0000 52140.8332 -109836.1480 299.6541 -161976.9812 -109473.3737 298.6552 -63.4977 -37.8861 760147.2154 3.9110 3.6043 PRESSURE: 4572200 14.6121 -80.3654 204.918 -80.366 -223.751 -124.851 204.918 -124.85 -205.553 GPRESSURE: 4572200 94.1504 107.469 136.387 -14.4825 -190.541 -110.568 116.509 5.88057 -235.842 PRESSAVG: 4572200 56.6532 -33.3602 -17.1423 -33.3601 -34.3553 35.2543 -17.1423 35.2543 -0.851697 GPRESSAVG: 4572200 55.4963 -32.7008 -19.6883 -29.8289 -33.7193 36.7372 -16.9552 35.0885 -0.146903 TIMING: 4572200 CPU: 14529.2, 0.00319891/step Wall: 14529.2, 0.00319891/step, 0.380137 hours remaining, 238.816406 MB of memory in use. ENERGY: 4572200 4019.0234 20459.8723 14442.6749 248.9726 -203574.5584 2613.4511 0.0000 0.0000 51949.2014 -109841.3628 298.5528 -161790.5641 -109485.2613 298.7546 -138.2307 -110.7441 760353.2622 7.1487 7.2100 LDB: ============= START OF LOAD BALANCING ============== 14541.6 LDB: ============== END OF LOAD BALANCING =============== 14541.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14541.6 LDB: ============= START OF LOAD BALANCING ============== 14542 LDB: Largest compute 7075 load 0.034268 is 17.5% of average load 0.195994 LDB: Average compute 0.004364 is 2.2% of average load 0.195994 LDB: TIME 14542 LOAD: AVG 0.195994 MAX 0.216107 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 14542 LOAD: AVG 0.195994 MAX 0.216107 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 14542 LOAD: AVG 0.195994 MAX 0.216107 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14542 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14542 PRESSURE: 4572400 112.066 -18.2251 -107.362 -18.2252 -6.66727 12.9798 -107.362 12.9788 -141.833 GPRESSURE: 4572400 136.834 -23.1458 -143.164 25.7675 4.03179 14.6319 -128.886 -135.708 -103.252 PRESSAVG: 4572400 18.9499 -13.8972 -73.8191 -13.8972 -62.3271 16.9866 -73.819 16.9865 -6.63487 GPRESSAVG: 4572400 20.6536 -14.2218 -72.9448 -17.6998 -63.3676 16.8409 -74.4244 18.9648 -7.33001 TIMING: 4572400 CPU: 14529.9, 0.00327413/step Wall: 14529.9, 0.00327413/step, 0.388894 hours remaining, 239.183594 MB of memory in use. ENERGY: 4572400 4022.6997 20536.0393 14419.5071 225.5705 -203797.8296 2812.5742 0.0000 0.0000 51977.3044 -109804.1345 298.7143 -161781.4388 -109441.8791 298.0471 -12.1448 12.5377 760768.9869 -16.6707 -16.6813 PRESSURE: 4572600 -51.4581 68.7108 -134.088 68.7107 -349.809 36.3424 -134.088 36.3423 272.189 GPRESSURE: 4572600 -87.0673 61.6757 -71.5163 36.0107 -281.434 125.434 23.1373 -145.093 327.623 PRESSAVG: 4572600 25.2028 5.68616 -39.87 5.68622 -34.7133 31.1781 -39.87 31.1781 -16.9869 GPRESSAVG: 4572600 23.8474 5.56397 -40.2962 7.35338 -33.9461 30.5818 -38.5712 30.5966 -16.3193 TIMING: 4572600 CPU: 14530.5, 0.00317782/step Wall: 14530.5, 0.00317782/step, 0.377278 hours remaining, 239.183594 MB of memory in use. ENERGY: 4572600 3998.2298 20672.4565 14472.8124 248.4754 -203941.1508 2626.6857 0.0000 0.0000 52040.7541 -109881.7368 299.0789 -161922.4909 -109511.6293 298.4720 -43.0261 -13.6262 760808.8945 -8.8324 -8.8060 PRESSURE: 4572800 176.207 -31.5643 -136.808 -31.5642 -365.415 -160.718 -136.807 -160.719 -444.348 GPRESSURE: 4572800 190.294 75.5213 -227.81 -76.3916 -323.608 -157.921 -113.452 -21.3643 -420.088 PRESSAVG: 4572800 39.3751 -47.0396 -42.7764 -47.0395 -45.3083 28.6767 -42.7764 28.6767 22.5119 GPRESSAVG: 4572800 38.1718 -47.0636 -41.6883 -47.1958 -45.4549 28.441 -44.7822 27.1195 23.7281 TIMING: 4572800 CPU: 14531.2, 0.00315903/step Wall: 14531.2, 0.00315903/step, 0.374871 hours remaining, 239.183594 MB of memory in use. ENERGY: 4572800 4036.8080 20540.3686 14495.4705 261.7015 -203851.6213 2615.5196 0.0000 0.0000 52123.9108 -109777.8423 299.5568 -161901.7531 -109427.6434 298.8134 -211.1855 -184.4675 760174.5197 5.5262 5.4817 PRESSURE: 4573000 247.309 -210.716 13.4985 -210.717 -254.288 -91.2348 13.4981 -91.2357 -104.875 GPRESSURE: 4573000 123.278 -117.368 70.1657 -242.104 -105.61 -65.7302 149.924 20.4152 -44.6912 PRESSAVG: 4573000 67.4595 -78.4576 -3.41405 -78.4576 -22.9807 38.9438 -3.41403 38.9438 -8.69043 GPRESSAVG: 4573000 68.5391 -78.0161 -4.34996 -76.222 -22.7359 38.8131 -1.68516 41.4844 -9.79634 TIMING: 4573000 CPU: 14531.8, 0.00315198/step Wall: 14531.8, 0.00315198/step, 0.37386 hours remaining, 239.183594 MB of memory in use. ENERGY: 4573000 4023.5173 20563.2778 14435.2623 248.3248 -203543.9174 2460.1355 0.0000 0.0000 51872.8913 -109940.5083 298.1142 -161813.3996 -109586.7168 299.0523 -37.2848 -9.0077 761302.5125 11.9295 12.0023 PRESSURE: 4573200 -235.909 78.9634 -63.7873 78.9639 -82.9805 -91.8087 -63.7865 -91.8084 276.469 GPRESSURE: 4573200 -104.939 -58.7228 -6.48176 40.382 -153.362 -20.9319 -46.0437 -134.434 285.958 PRESSAVG: 4573200 80.7896 -78.3457 27.1519 -78.3457 -49.3086 28.2564 27.1519 28.2564 14.5652 GPRESSAVG: 4573200 81.1227 -79.4774 26.7682 -78.2036 -49.8254 28.249 26.6992 25.0543 14.9539 TIMING: 4573200 CPU: 14532.4, 0.00316542/step Wall: 14532.4, 0.00316542/step, 0.375278 hours remaining, 239.183594 MB of memory in use. ENERGY: 4573200 3957.9171 20411.7603 14487.8417 261.9550 -203873.0409 2807.9703 0.0000 0.0000 52019.2450 -109926.3515 298.9553 -161945.5965 -109563.9071 298.8513 -14.1402 9.2193 760593.6496 15.3487 15.4171 PRESSURE: 4573400 212.325 -15.7179 -141.061 -15.7185 -195.381 -154.916 -141.061 -154.915 162.181 GPRESSURE: 4573400 283.145 76.4805 -143.999 -70.8486 -170.237 -173.268 -87.8663 -126.317 159.148 PRESSAVG: 4573400 9.55664 -48.9473 -22.5889 -48.9473 -15.845 18.3301 -22.5889 18.3301 5.02699 GPRESSAVG: 4573400 10.1339 -50.814 -20.7459 -48.8068 -16.7065 18.8308 -23.2958 17.9925 4.95535 TIMING: 4573400 CPU: 14533.1, 0.00316678/step Wall: 14533.1, 0.00316678/step, 0.375264 hours remaining, 239.183594 MB of memory in use. ENERGY: 4573400 3958.2272 20532.7587 14456.1944 258.6765 -203677.7874 2559.2667 0.0000 0.0000 51913.6963 -109998.9675 298.3487 -161912.6638 -109638.7337 298.3494 59.7081 90.6851 760205.8719 -0.4204 -0.5391 PRESSURE: 4573600 291.539 97.6509 -193.414 97.6505 -223.191 -141.828 -193.413 -141.831 124.913 GPRESSURE: 4573600 334.684 48.6097 -215.386 88.1181 -146.975 -76.4714 -164.103 -109.553 88.395 PRESSAVG: 4573600 57.7716 -39.6512 -35.6236 -39.6511 -49.8058 9.93513 -35.6235 9.93515 6.01332 GPRESSAVG: 4573600 57.8745 -37.7741 -36.6721 -42.5148 -48.8198 9.68271 -35.0568 11.5088 4.38865 TIMING: 4573600 CPU: 14533.7, 0.00318191/step Wall: 14533.7, 0.00318192/step, 0.37688 hours remaining, 239.183594 MB of memory in use. ENERGY: 4573600 3991.0146 20601.3134 14365.9161 234.0712 -203978.6652 2815.8113 0.0000 0.0000 52134.7577 -109835.7810 299.6192 -161970.5388 -109474.9609 298.9044 64.4202 92.0345 759771.0347 4.6597 4.4811 PRESSURE: 4573800 -142.578 -157.991 -27.801 -157.99 -177.114 142.668 -27.8012 142.668 238.771 GPRESSURE: 4573800 -67.8384 -126.358 -99.7204 -103.794 -103.702 106.92 -62.4946 160.853 169.377 PRESSAVG: 4573800 62.3388 9.98215 -34.5046 9.98213 -62.2606 -25.2888 -34.5045 -25.2889 4.96577 GPRESSAVG: 4573800 61.5547 11.2256 -34.4513 12.2972 -63.6034 -24.9051 -35.4473 -27.9715 6.8108 TIMING: 4573800 CPU: 14534.3, 0.00320919/step Wall: 14534.3, 0.00320919/step, 0.379932 hours remaining, 239.183594 MB of memory in use. ENERGY: 4573800 4061.2238 20520.0799 14437.3226 251.4885 -203490.9890 2411.1510 0.0000 0.0000 52129.4976 -109680.2254 299.5889 -161809.7230 -109324.8720 299.1156 -26.9739 -0.7212 759756.4697 1.6813 1.5874 PRESSURE: 4574000 -501.26 141.013 -34.5302 141.013 -245.009 84.9823 -34.5305 84.9822 -9.19254 GPRESSURE: 4574000 -462.776 8.03035 -20.2032 115.035 -284.681 122.787 -11.7806 112.045 88.3823 PRESSAVG: 4574000 32.8413 -59.7622 12.2463 -59.7623 -60.9271 -47.828 12.2463 -47.828 -2.54518 GPRESSAVG: 4574000 33.3888 -58.9874 12.1861 -60.8525 -60.2637 -45.9189 12.6834 -44.5279 -3.35465 TIMING: 4574000 CPU: 14535, 0.00321495/step Wall: 14535, 0.00321495/step, 0.380436 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4574000 3975.3252 20584.3428 14474.7852 253.4608 -203299.7250 2426.0550 0.0000 0.0000 51986.7113 -109599.0446 298.7683 -161585.7559 -109245.3289 299.6981 -251.8203 -219.6914 761623.8898 -10.2103 -10.0765 PRESSURE: 4574200 -97.7016 116.415 -59.8467 116.415 100.663 -142.707 -59.8467 -142.707 288.248 GPRESSURE: 4574200 -21.9062 157.063 47.3623 160.2 189.527 -103.713 -48.1846 -176.545 212.233 PRESSAVG: 4574200 16.2989 -11.5552 -50.4284 -11.5552 -35.0629 43.9593 -50.4285 43.9593 -19.2082 GPRESSAVG: 4574200 16.0258 -13.8923 -51.4637 -10.6737 -35.5579 42.1143 -50.4785 43.2366 -18.6828 TIMING: 4574200 CPU: 14535.6, 0.00322485/step Wall: 14535.6, 0.00322485/step, 0.381428 hours remaining, 239.183594 MB of memory in use. ENERGY: 4574200 3927.1178 20596.1568 14363.1544 263.8542 -203933.3980 2886.1809 0.0000 0.0000 52236.2185 -109660.7154 300.2023 -161896.9339 -109292.8269 299.5988 97.0698 126.6177 760055.8324 -12.6574 -12.7383 PRESSURE: 4574400 47.2619 201.002 -82.3432 201.003 129.802 -129.371 -82.3423 -129.371 166.241 GPRESSURE: 4574400 91.408 141.893 15.1362 273.376 186.815 -55.158 -31.9442 -173.93 169.392 PRESSAVG: 4574400 6.08475 9.38017 -1.93697 9.38016 15.0025 -38.7935 -1.9369 -38.7935 22.09 GPRESSAVG: 4574400 6.18234 9.88936 -0.689816 8.71407 16.693 -38.6919 -0.216556 -38.3876 20.0972 TIMING: 4574400 CPU: 14536.3, 0.00318063/step Wall: 14536.3, 0.00318063/step, 0.376021 hours remaining, 239.183594 MB of memory in use. ENERGY: 4574400 3959.9978 20651.4131 14482.5229 273.8350 -203705.6361 2852.8106 0.0000 0.0000 51741.3111 -109743.7457 297.3580 -161485.0568 -109393.2777 299.4470 114.4350 149.2049 758784.9647 14.3924 14.3242 PRESSURE: 4574600 0.945647 -67.7546 133.605 -67.7551 -384.369 -87.7449 133.605 -87.7459 -141.214 GPRESSURE: 4574600 7.86342 -99.1102 106.444 -34.415 -339.971 -55.4275 159.603 5.19983 -99.1003 PRESSAVG: 4574600 -47.5178 -31.3701 15.8181 -31.3701 6.21687 -37.8182 15.8181 -37.8181 24.7324 GPRESSAVG: 4574600 -48.9569 -31.6497 15.3473 -30.7205 6.25638 -37.4561 15.09 -37.5803 25.6841 TIMING: 4574600 CPU: 14536.9, 0.00317859/step Wall: 14536.9, 0.00317859/step, 0.375603 hours remaining, 239.183594 MB of memory in use. ENERGY: 4574600 3981.3961 20618.8950 14417.2972 236.5162 -203366.5918 2352.1810 0.0000 0.0000 51948.6081 -109811.6983 298.5494 -161760.3063 -109453.9467 299.0681 -174.8790 -143.7359 760077.0217 -5.5228 -5.6721 PRESSURE: 4574800 -141.24 38.7487 -160.531 38.7492 214.599 -154.402 -160.531 -154.402 -35.1357 GPRESSURE: 4574800 -111.884 88.3989 -133.734 118.37 286.552 -168.112 -183.745 -64.1054 -52.2998 PRESSAVG: 4574800 -13.6511 -35.9317 32.9798 -35.9317 -4.29471 34.0538 32.9798 34.0539 0.498998 GPRESSAVG: 4574800 -13.3567 -34.5446 33.1155 -35.2893 -4.24183 33.7568 32.7417 32.045 0.0620418 TIMING: 4574800 CPU: 14537.5, 0.00315865/step Wall: 14537.5, 0.00315865/step, 0.373072 hours remaining, 239.183594 MB of memory in use. ENERGY: 4574800 3862.7047 20499.6491 14545.6024 259.1154 -203917.3354 2824.5381 0.0000 0.0000 52019.3032 -109906.4226 298.9557 -161925.7258 -109550.4534 298.5843 12.7410 40.7893 760255.5887 -5.8156 -5.8455 PRESSURE: 4575000 -56.5204 36.3281 -18.1219 36.3286 -18.8775 65.6244 -18.1218 65.6252 -154.441 GPRESSURE: 4575000 -20.1736 -103.19 -30.3029 -68.5502 -30.6319 -12.0514 -13.1357 136.146 -104.109 PRESSAVG: 4575000 22.7764 -15.2936 -32.8218 -15.2935 -36.2754 24.144 -32.8218 24.144 6.89333 GPRESSAVG: 4575000 23.962 -16.0772 -33.4244 -17.34 -38.5292 23.7385 -34.5187 25.5312 7.9474 TIMING: 4575000 CPU: 14538.2, 0.00317868/step Wall: 14538.2, 0.00317868/step, 0.37526 hours remaining, 239.183594 MB of memory in use. ENERGY: 4575000 3933.9091 20534.0445 14476.6180 242.1495 -203477.1398 2418.9664 0.0000 0.0000 51729.8783 -110141.5740 297.2923 -161871.4523 -109783.0411 298.8939 -76.6129 -51.6383 760009.8973 -2.2019 -2.2066 PRESSURE: 4575200 -168.301 157.425 126.586 157.426 -207.412 47.7922 126.587 47.7923 260.594 GPRESSURE: 4575200 -225.951 204.092 166.695 100.089 -100.709 179.875 103.673 -39.6742 279.366 PRESSAVG: 4575200 31.9095 -10.42 -38.1407 -10.42 -64.3769 15.562 -38.1407 15.562 17.6632 GPRESSAVG: 4575200 29.4742 -11.1242 -37.8795 -11.254 -62.5938 15.2897 -37.3964 15.889 18.1545 TIMING: 4575200 CPU: 14538.8, 0.00322129/step Wall: 14538.8, 0.00322129/step, 0.380112 hours remaining, 239.183594 MB of memory in use. ENERGY: 4575200 3978.6047 20528.1979 14506.6108 244.9790 -203447.0272 2429.3108 0.0000 0.0000 51775.2762 -109984.0477 297.5532 -161759.3239 -109625.0440 298.3373 -38.3731 -15.7648 761192.6851 -4.9347 -4.9884 PRESSURE: 4575400 19.3383 -72.2367 -7.67935 -72.2354 61.1248 -90.1666 -7.67807 -90.1673 192.135 GPRESSURE: 4575400 78.7909 -197.018 -48.3195 -20.2736 88.3847 -131.195 105.703 -105.267 186.365 PRESSAVG: 4575400 -32.8121 -15.2738 27.8439 -15.2738 28.0082 44.9649 27.8439 44.9649 -6.31578 GPRESSAVG: 4575400 -32.8936 -14.4832 28.1734 -12.1326 27.6484 44.9377 28.5848 45.3559 -5.89979 TIMING: 4575400 CPU: 14539.4, 0.00320029/step Wall: 14539.4, 0.00320029/step, 0.377457 hours remaining, 239.183594 MB of memory in use. ENERGY: 4575400 3865.6299 20571.2736 14500.3948 249.6780 -203482.8855 2557.1867 0.0000 0.0000 51809.7724 -109928.9502 297.7515 -161738.7226 -109575.0310 298.3781 90.8661 117.8467 761058.8093 -3.7066 -3.7150 PRESSURE: 4575600 -236.586 18.7759 -176.458 18.7753 -255.488 132.31 -176.459 132.309 376.252 GPRESSURE: 4575600 -180.886 -62.4784 -94.7185 -116.742 -219.264 120.992 -209.821 130.574 397.283 PRESSAVG: 4575600 20.0846 -4.39475 -40.5965 -4.39478 -25.2779 -10.6117 -40.5965 -10.6117 4.90939 GPRESSAVG: 4575600 22.043 -3.20593 -41.6845 -6.81962 -25.15 -9.35205 -38.3548 -13.1751 3.00405 TIMING: 4575600 CPU: 14540.1, 0.00320439/step Wall: 14540.1, 0.00320439/step, 0.377762 hours remaining, 239.183594 MB of memory in use. ENERGY: 4575600 3905.5264 20379.4755 14463.1686 240.1205 -203421.1276 2457.3231 0.0000 0.0000 52100.1205 -109875.3929 299.4201 -161975.5134 -109509.4533 298.1637 -38.6074 -0.9554 761055.5153 -0.0947 -0.0343 PRESSURE: 4575800 -479.745 30.0254 157.18 30.0257 -369.286 -88.4966 157.18 -88.4967 -44.9789 GPRESSURE: 4575800 -437.89 -86.3249 53.3382 -54.4134 -323.438 -65.6219 250.824 -95.953 -12.3321 PRESSAVG: 4575800 34.2536 -13.4859 31.0847 -13.4859 -38.2467 0.0136833 31.0847 0.0135829 5.20226 GPRESSAVG: 4575800 33.6185 -13.7985 30.982 -13.5882 -38.4331 -0.889729 28.1312 2.41932 6.34882 TIMING: 4575800 CPU: 14540.7, 0.00315683/step Wall: 14540.7, 0.00315683/step, 0.37198 hours remaining, 239.183594 MB of memory in use. ENERGY: 4575800 4024.7576 20586.1938 14427.1890 236.0938 -203298.1246 2445.8792 0.0000 0.0000 51857.9311 -109720.0801 298.0282 -161578.0111 -109354.9487 298.7850 -298.0033 -257.8868 762733.1454 0.4031 0.5114 PRESSURE: 4576000 66.9256 11.7944 -104.217 11.7947 -272.291 9.6843 -104.217 9.68437 61.1425 GPRESSURE: 4576000 86.2618 -13.8821 -97.9244 69.4393 -182.445 -4.45886 -40.2082 -19.3437 39.4571 PRESSAVG: 4576000 -17.3799 -23.5461 -1.86417 -23.5461 -6.36335 -28.9828 -1.86416 -28.9828 -1.34999 GPRESSAVG: 4576000 -16.2089 -24.4517 -1.05706 -23.3861 -6.22279 -29.5398 -2.15281 -28.109 -2.0658 TIMING: 4576000 CPU: 14541.3, 0.00316256/step Wall: 14541.3, 0.00316256/step, 0.372479 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4576000 3969.8970 20482.4222 14480.6459 247.4928 -203473.9263 2435.9152 0.0000 0.0000 52040.8922 -109816.6610 299.0797 -161857.5532 -109454.8928 298.5526 -48.0743 -18.9086 761246.2544 -8.3644 -8.1658 PRESSURE: 4576200 9.93914 2.67266 92.5404 2.67146 178.093 24.5523 92.5403 24.5517 -82.6869 GPRESSURE: 4576200 14.698 13.9314 143.786 -136.65 210.633 93.1055 -49.2248 -108.088 -28.5431 PRESSAVG: 4576200 15.0616 -37.7075 -0.600547 -37.7075 7.07504 -28.4106 -0.600522 -28.4107 -6.64472 GPRESSAVG: 4576200 14.3816 -37.7215 -0.575477 -38.2087 7.56883 -28.1041 -0.166143 -29.8912 -6.61691 TIMING: 4576200 CPU: 14542, 0.00316242/step Wall: 14542, 0.00316242/step, 0.372287 hours remaining, 239.183594 MB of memory in use. ENERGY: 4576200 4021.1453 20524.8295 14398.2862 252.5838 -203339.2137 2401.9860 0.0000 0.0000 51833.9812 -109906.4019 297.8906 -161740.3831 -109543.1585 298.4057 35.1152 65.5960 759350.1200 5.1640 5.1112 LDB: ============= START OF LOAD BALANCING ============== 14554.4 LDB: ============== END OF LOAD BALANCING =============== 14554.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14554.4 LDB: ============= START OF LOAD BALANCING ============== 14554.7 LDB: Largest compute 7075 load 0.036215 is 18.5% of average load 0.196067 LDB: Average compute 0.004363 is 2.2% of average load 0.196067 LDB: TIME 14554.7 LOAD: AVG 0.196067 MAX 0.217312 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 14554.7 LOAD: AVG 0.196067 MAX 0.217312 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 14554.7 LOAD: AVG 0.196067 MAX 0.217312 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 14554.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14554.7 PRESSURE: 4576400 204.416 -90.7015 -105.712 -90.7014 -102.881 -245.38 -105.712 -245.378 160.524 GPRESSURE: 4576400 238.959 21.2161 -162.993 -108.068 -80.1027 -309.592 -66.6383 -67.3619 162.967 PRESSAVG: 4576400 -15.0999 -104.859 -12.2208 -104.859 -31.3869 -4.10668 -12.2207 -4.10663 -21.5741 GPRESSAVG: 4576400 -16.198 -104.439 -12.2081 -103.728 -32.2153 -5.32752 -9.43591 -3.88737 -19.8006 TIMING: 4576400 CPU: 14542.6, 0.00323181/step Wall: 14542.6, 0.00323181/step, 0.380276 hours remaining, 240.531250 MB of memory in use. ENERGY: 4576400 3971.1939 20593.8608 14397.9970 252.7016 -203349.7684 2410.2534 0.0000 0.0000 52294.1973 -109429.5643 300.5355 -161723.7616 -109066.8883 299.3638 87.3529 107.2742 759014.7488 -22.6870 -22.7380 PRESSURE: 4576600 -294.183 -14.9609 -80.6258 -14.9608 84.9611 -9.97631 -80.6258 -9.97615 -340.002 GPRESSURE: 4576600 -175.622 21.1679 -66.6017 3.33121 8.4107 -73.083 -53.9561 -41.4427 -315.307 PRESSAVG: 4576600 37.5594 -51.4782 23.109 -51.4782 -2.58272 -33.1762 23.109 -33.1762 4.54601 GPRESSAVG: 4576600 39.4361 -51.8488 23.273 -51.2006 -2.32415 -32.4661 20.8244 -33.0657 2.60018 TIMING: 4576600 CPU: 14543.3, 0.0031382/step Wall: 14543.3, 0.0031382/step, 0.369087 hours remaining, 240.734375 MB of memory in use. ENERGY: 4576600 4028.9658 20644.1368 14464.6292 258.9043 -203129.9779 2448.1046 0.0000 0.0000 51834.4847 -109450.7526 297.8935 -161285.2373 -109092.5437 299.5826 -183.0746 -160.8393 761228.1586 13.1742 13.2374 PRESSURE: 4576800 -28.0845 -5.64203 297.991 -5.64295 -306.153 -50.6222 297.991 -50.6215 -431.074 GPRESSURE: 4576800 -70.3037 -65.8277 252.19 34.3408 -241.377 -124.671 257.075 -97.3484 -372.04 PRESSAVG: 4576800 13.1865 -48.216 21.6281 -48.216 -24.5076 -65.8302 21.628 -65.8302 -3.19706 GPRESSAVG: 4576800 13.0199 -48.2129 21.838 -48.9958 -23.5521 -66.568 22.3321 -65.3721 -3.27709 TIMING: 4576800 CPU: 14543.9, 0.00316116/step Wall: 14543.9, 0.00316116/step, 0.371612 hours remaining, 240.734375 MB of memory in use. ENERGY: 4576800 3931.0466 20538.7608 14447.4392 252.7423 -203354.5276 2458.4472 0.0000 0.0000 52260.9269 -109465.1645 300.3443 -161726.0914 -109099.1242 299.8609 -255.1038 -227.9071 761582.1460 -4.8394 -4.6031 PRESSURE: 4577000 -272.809 211.907 280.112 211.908 -179.765 76.9038 280.112 76.9041 -38.5109 GPRESSURE: 4577000 -279.346 269.784 249.469 105.903 -168.97 5.48483 169.465 134.537 40.8774 PRESSAVG: 4577000 75.7441 -29.7285 7.15474 -29.7284 -38.3309 -2.00682 7.15476 -2.00682 -21.4429 GPRESSAVG: 4577000 75.4599 -30.3147 6.1539 -28.7198 -39.2963 -2.13901 5.63765 -1.65341 -20.431 TIMING: 4577000 CPU: 14544.5, 0.00319292/step Wall: 14544.5, 0.00319292/step, 0.375169 hours remaining, 240.734375 MB of memory in use. ENERGY: 4577000 3989.0157 20443.0639 14409.4727 253.0779 -203284.9236 2296.3890 0.0000 0.0000 52239.6361 -109654.2684 300.2219 -161893.9045 -109282.2548 298.9457 -163.6947 -135.8129 760141.7110 5.3234 5.2442 PRESSURE: 4577200 205.594 -185.625 -109.209 -185.625 109.505 -62.7772 -109.209 -62.7768 386.808 GPRESSURE: 4577200 288.486 -162.169 -95.099 -104.673 109.542 -55.944 -155.951 -111.711 384.589 PRESSAVG: 4577200 17.391 -53.1364 30.0386 -53.1364 -11.8905 -63.0958 30.0385 -63.0958 -4.15678 GPRESSAVG: 4577200 17.9645 -53.7848 29.6653 -53.2591 -11.8935 -62.2947 29.7783 -64.6892 -4.34032 TIMING: 4577200 CPU: 14545.2, 0.0032415/step Wall: 14545.2, 0.0032415/step, 0.380696 hours remaining, 240.734375 MB of memory in use. ENERGY: 4577200 4003.5218 20487.8375 14494.8195 256.0204 -203727.4727 2818.1910 0.0000 0.0000 52275.2115 -109391.8710 300.4264 -161667.0825 -109033.1716 299.4930 233.9692 260.8725 760032.8105 0.4479 0.5769 PRESSURE: 4577400 -41.1521 -37.4065 -172.955 -37.4062 70.9039 245.46 -172.955 245.46 -268.167 GPRESSURE: 4577400 31.0829 -50.1645 -221.002 -4.0032 99.2282 227.763 -3.27997 257.481 -273.901 PRESSAVG: 4577400 62.6925 -27.401 -12.4595 -27.4009 -101.899 -49.1683 -12.4595 -49.1683 16.6945 GPRESSAVG: 4577400 62.9211 -26.6886 -10.4394 -27.9562 -102.928 -48.6294 -12.8695 -48.0852 17.1 TIMING: 4577400 CPU: 14545.8, 0.00320184/step Wall: 14545.8, 0.00320184/step, 0.375861 hours remaining, 240.734375 MB of memory in use. ENERGY: 4577400 3995.8188 20526.7601 14456.3548 232.5333 -203286.0082 2648.0287 0.0000 0.0000 52106.3967 -109320.1159 299.4562 -161426.5126 -108966.2090 299.6079 -79.4718 -47.8635 762278.7581 -7.5040 -7.6355 PRESSURE: 4577600 133.932 -75.2571 70.769 -75.2574 -86.7499 -117.212 70.7693 -117.213 -247.647 GPRESSURE: 4577600 154.148 -37.0076 49.6493 -146.39 -25.9417 -147.365 -7.63958 -128.58 -261.617 PRESSAVG: 4577600 39.8954 -27.6401 4.13475 -27.6401 -7.06333 -23.5827 4.13482 -23.5827 -11.2523 GPRESSAVG: 4577600 38.7053 -27.6053 4.05167 -25.9878 -6.69828 -23.4494 5.52133 -25.7023 -11.1069 TIMING: 4577600 CPU: 14546.5, 0.00322475/step Wall: 14546.5, 0.00322475/step, 0.378371 hours remaining, 240.734375 MB of memory in use. ENERGY: 4577600 3999.3377 20552.2618 14560.6288 232.4121 -203158.6413 2555.3804 0.0000 0.0000 52112.1867 -109146.4338 299.4895 -161258.6205 -108784.4803 299.3684 -66.8216 -44.4704 761691.6541 7.1933 6.9667 PRESSURE: 4577800 184.614 32.479 124.076 32.4787 60.0943 -254.014 124.075 -254.014 102.26 GPRESSURE: 4577800 232.474 41.8564 175.584 -29.2547 29.9775 -124.15 44.2931 -125.57 153.395 PRESSAVG: 4577800 36.3617 -53.2922 -8.89841 -53.2922 -114.257 -6.03206 -8.89846 -6.03203 12.5704 GPRESSAVG: 4577800 36.9212 -54.0561 -9.02763 -54.4793 -114.635 -6.49841 -9.49501 -4.83628 12.1113 TIMING: 4577800 CPU: 14547.1, 0.00323114/step Wall: 14547.1, 0.00323114/step, 0.378941 hours remaining, 240.734375 MB of memory in use. ENERGY: 4577800 3991.7962 20435.8617 14520.5732 247.6373 -203314.2302 2674.0363 0.0000 0.0000 52199.3991 -109244.9264 299.9907 -161444.3255 -108874.7834 300.0513 115.6560 138.6155 761890.3373 -21.7751 -21.8677 PRESSURE: 4578000 -441.048 -14.2605 -72.051 -14.26 -226.287 -171.93 -72.051 -171.93 -238.917 GPRESSURE: 4578000 -310.422 -25.1205 -125.176 -68.7262 -293.719 -164.213 119.914 -231.087 -174.781 PRESSAVG: 4578000 36.3284 -13.1534 -44.2724 -13.1534 -12.0258 -9.0381 -44.2724 -9.03803 6.63475 GPRESSAVG: 4578000 36.0283 -11.913 -44.701 -13.7009 -10.7829 -8.97648 -43.3786 -7.78155 6.23073 TIMING: 4578000 CPU: 14547.8, 0.00324557/step Wall: 14547.8, 0.00324557/step, 0.380453 hours remaining, 240.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4578000 4084.5476 20478.2550 14606.9697 232.9416 -203299.5185 2486.8425 0.0000 0.0000 52108.2395 -109301.7226 299.4668 -161409.9622 -108937.6642 300.2501 -302.0840 -259.6408 762239.4415 10.3125 10.4920 PRESSURE: 4578200 125.064 78.5357 -17.6945 78.5359 9.06671 334.25 -17.6949 334.25 -159.482 GPRESSURE: 4578200 224.679 18.5283 57.8335 131.817 -34.227 276.421 -67.5365 217.488 -120.715 PRESSAVG: 4578200 20.3243 -41.9058 21.4836 -41.9059 42.0494 -19.2009 21.4835 -19.201 -24.9866 GPRESSAVG: 4578200 21.6933 -41.6494 23.3672 -39.249 40.8379 -19.0079 22.2633 -21.0947 -24.7718 TIMING: 4578200 CPU: 14548.4, 0.00320554/step Wall: 14548.4, 0.00320554/step, 0.375583 hours remaining, 240.734375 MB of memory in use. ENERGY: 4578200 4021.7134 20625.5114 14452.7243 247.5082 -203347.2705 2467.1313 0.0000 0.0000 52148.4049 -109384.2770 299.6976 -161532.6820 -109022.3930 299.5073 -8.4504 23.2456 762011.6071 12.4624 12.5865 PRESSURE: 4578400 24.2545 -27.2564 89.7601 -27.2562 -241.502 -19.1165 89.7591 -19.1168 231.22 GPRESSURE: 4578400 32.166 -12.7874 7.93152 -86.4302 -221.936 30.8574 149.614 -65.6894 274.056 PRESSAVG: 4578400 -3.91674 -47.1994 -19.9789 -47.1994 53.8794 -35.1353 -19.9789 -35.1353 13.7635 GPRESSAVG: 4578400 -4.17505 -46.3231 -21.5745 -49.7732 54.6481 -35.7899 -20.9558 -35.3244 13.5709 TIMING: 4578400 CPU: 14549, 0.00319857/step Wall: 14549, 0.00319857/step, 0.374589 hours remaining, 240.734375 MB of memory in use. ENERGY: 4578400 4005.6884 20413.7061 14450.3396 257.2977 -203400.7569 2325.3256 0.0000 0.0000 52144.1208 -109804.2786 299.6730 -161948.3994 -109436.1311 298.9162 4.6577 28.0953 760207.1316 21.2420 21.3480 PRESSURE: 4578600 -29.8018 -32.2174 -152.955 -32.2171 -177.129 -96.9788 -152.955 -96.9775 132.383 GPRESSURE: 4578600 -46.3076 44.2862 -119.545 -16.1767 -106.345 -95.1784 -54.6469 -47.3208 142.046 PRESSAVG: 4578600 -15.3894 55.7029 -9.087 55.7029 31.2183 -52.4373 -9.08701 -52.4374 0.783589 GPRESSAVG: 4578600 -16.8483 54.0634 -9.75656 56.5871 32.518 -52.6042 -8.9338 -51.4033 0.561246 TIMING: 4578600 CPU: 14549.7, 0.00318035/step Wall: 14549.7, 0.00318035/step, 0.372277 hours remaining, 240.734375 MB of memory in use. ENERGY: 4578600 3914.8292 20431.3628 14449.5866 265.7537 -203254.6286 2164.5851 0.0000 0.0000 52099.2788 -109929.2323 299.4153 -162028.5111 -109564.3055 298.7548 -24.8495 -3.5356 758539.1914 5.5375 5.4103 PRESSURE: 4578800 225.387 45.5167 -91.7907 45.5171 -268.685 -50.4361 -91.7903 -50.4342 24.5119 GPRESSURE: 4578800 267.878 74.1968 -46.7527 -67.4715 -189.929 -98.6866 -194.594 -22.8762 -19.1348 PRESSAVG: 4578800 7.22569 -41.8051 -22.4146 -41.8051 9.06324 -41.2946 -22.4146 -41.2946 -19.0608 GPRESSAVG: 4578800 7.35482 -40.7939 -21.2344 -41.2311 7.98012 -39.5878 -22.3742 -41.6545 -18.4445 TIMING: 4578800 CPU: 14550.3, 0.00319813/step Wall: 14550.3, 0.00319813/step, 0.374182 hours remaining, 240.734375 MB of memory in use. ENERGY: 4578800 3925.9698 20562.5400 14510.5263 249.2980 -203254.7627 2334.3926 0.0000 0.0000 51710.4303 -109961.6057 297.1806 -161672.0359 -109608.5757 298.4633 -6.2622 19.6045 760877.6529 -0.9240 -1.0365 PRESSURE: 4579000 157.248 -63.7657 -111.936 -63.7648 -6.86726 149.288 -111.937 149.288 289.201 GPRESSURE: 4579000 181.112 7.48485 -131.608 -21.7154 73.9445 195.458 -106.321 225.65 251.147 PRESSAVG: 4579000 -3.23366 -31.5582 15.9844 -31.5582 -17.0827 3.72505 15.9844 3.725 2.44109 GPRESSAVG: 4579000 -3.46866 -31.6181 17.4373 -30.7522 -16.6544 2.83036 14.8712 4.1433 1.98019 TIMING: 4579000 CPU: 14551, 0.00321603/step Wall: 14551, 0.00321603/step, 0.376097 hours remaining, 240.734375 MB of memory in use. ENERGY: 4579000 3935.6050 20403.4596 14412.7780 261.0196 -203510.0457 2538.1311 0.0000 0.0000 51906.1662 -110052.8861 298.3055 -161959.0524 -109686.5135 298.2859 146.5273 168.7345 762236.5719 -5.9584 -6.0476 PRESSURE: 4579200 -383.732 145.643 63.5001 145.642 -40.6203 -236.356 63.4999 -236.357 -449.982 GPRESSURE: 4579200 -322.524 130.034 71.2168 50.7828 -12.5947 -363.673 15.424 -8.92371 -450.127 PRESSAVG: 4579200 -32.3978 -34.5438 -1.8514 -34.5438 27.1222 19.1135 -1.85139 19.1135 -0.156769 GPRESSAVG: 4579200 -32.0648 -34.7151 -3.27339 -33.7249 26.3275 18.9758 -0.856445 19.3485 0.393847 TIMING: 4579200 CPU: 14551.6, 0.0031899/step Wall: 14551.6, 0.0031899/step, 0.372864 hours remaining, 240.734375 MB of memory in use. ENERGY: 4579200 3846.1062 20551.5639 14378.0011 227.9672 -203091.3040 2081.6343 0.0000 0.0000 51925.0346 -110080.9966 298.4139 -162006.0312 -109722.3476 298.3400 -291.4449 -261.7485 761656.7209 -1.8108 -1.7812 PRESSURE: 4579400 -65.6043 170.431 151.66 170.431 -119.287 101.237 151.66 101.238 -158.731 GPRESSURE: 4579400 -162.498 23.1507 201.957 163.531 -31.3627 159.94 74.8489 52.8224 -72.5608 PRESSAVG: 4579400 4.85049 -4.13966 32.3957 -4.13969 -12.4922 26.0916 32.3957 26.0916 8.38497 GPRESSAVG: 4579400 2.7233 -3.3783 31.207 -6.64146 -10.2352 27.5498 32.7737 26.4643 8.24661 TIMING: 4579400 CPU: 14552.2, 0.00317126/step Wall: 14552.2, 0.00317126/step, 0.370509 hours remaining, 240.734375 MB of memory in use. ENERGY: 4579400 3966.1201 20487.2754 14386.9492 239.6338 -203962.0221 2833.5142 0.0000 0.0000 51918.1783 -110130.3510 298.3745 -162048.5293 -109779.9753 298.0683 -114.5406 -88.8071 760620.0821 0.2477 0.2449 PRESSURE: 4579600 27.0434 86.1186 54.8004 86.1195 251.556 166.441 54.8006 166.441 -277.55 GPRESSURE: 4579600 49.2625 73.2979 -10.3603 35.6922 203.633 87.9982 8.38414 62.8075 -204.161 PRESSAVG: 4579600 39.7527 -25.5086 -10.6909 -25.5086 -29.5775 -1.38029 -10.6909 -1.38027 18.5242 GPRESSAVG: 4579600 41.3296 -26.6677 -10.2374 -22.1229 -31.1292 -2.9567 -11.9399 -2.04017 17.8189 TIMING: 4579600 CPU: 14552.9, 0.00317264/step Wall: 14552.9, 0.00317264/step, 0.370494 hours remaining, 240.734375 MB of memory in use. ENERGY: 4579600 3994.1021 20498.6781 14406.8395 229.9121 -203103.6082 2124.3199 0.0000 0.0000 51951.5169 -109898.2396 298.5661 -161849.7565 -109535.7080 298.3090 0.3497 16.2447 759256.2925 9.5665 9.3398 PRESSURE: 4579800 -304.819 -29.1143 -84.2335 -29.1157 -305.66 -166.24 -84.2342 -166.241 -394.373 GPRESSURE: 4579800 -291.816 -11.35 -95.997 -12.8843 -277.011 -172.474 -129.719 -42.9629 -327.716 PRESSAVG: 4579800 47.7075 -19.4291 -8.76194 -19.4291 -85.588 -29.874 -8.76187 -29.8739 2.56634 GPRESSAVG: 4579800 47.217 -19.6991 -7.22555 -20.8395 -86.7829 -29.8298 -9.86267 -30.4706 3.76611 TIMING: 4579800 CPU: 14553.5, 0.00322005/step Wall: 14553.5, 0.00322005/step, 0.375851 hours remaining, 240.734375 MB of memory in use. ENERGY: 4579800 3919.1255 20586.9220 14480.0540 250.6726 -203368.0842 2351.7548 0.0000 0.0000 52052.8398 -109726.7156 299.1484 -161779.5554 -109368.2522 298.8847 -334.9508 -298.8477 760416.9776 -11.7714 -11.9333 PRESSURE: 4580000 -215.533 260.214 -89.2667 260.215 193.754 91.4839 -89.2676 91.4846 -36.3446 GPRESSURE: 4580000 -92.2839 237.698 -64.4626 189.924 91.6356 93.0118 -120.462 48.4129 40.3214 PRESSAVG: 4580000 -60.6598 -13.6975 10.716 -13.6975 16.2588 44.6085 10.716 44.6085 25.4205 GPRESSAVG: 4580000 -60.3848 -13.6318 8.4366 -13.2554 16.5098 43.8038 10.7467 45.7003 24.5839 TIMING: 4580000 CPU: 14554.2, 0.00324573/step Wall: 14554.2, 0.00324573/step, 0.378669 hours remaining, 240.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4580000 4017.0949 20520.4931 14436.4833 260.6647 -204069.6157 2785.3663 0.0000 0.0000 52424.2448 -109625.2686 301.2829 -162049.5135 -109266.5536 298.8967 -19.3748 13.2243 761334.3399 -6.3268 -6.4304 PRESSURE: 4580200 -89.207 -213.808 -7.03192 -213.808 121.345 29.3301 -7.03188 29.3298 173.934 GPRESSURE: 4580200 -7.7031 -74.8447 16.5061 -305.876 169.437 -22.5344 -105.892 -43.6561 126.308 PRESSAVG: 4580200 9.95521 -2.29573 -29.6067 -2.29578 7.57491 5.952 -29.6068 5.95194 26.0389 GPRESSAVG: 4580200 10.5713 -1.06712 -29.9464 -1.59983 7.74774 7.33878 -28.9422 4.20639 25.5752 TIMING: 4580200 CPU: 14554.8, 0.00319863/step Wall: 14554.8, 0.00319863/step, 0.372996 hours remaining, 240.734375 MB of memory in use. ENERGY: 4580200 4005.7710 20568.7068 14446.3488 240.6441 -203803.1436 2645.9094 0.0000 0.0000 52300.2347 -109595.5289 300.5702 -161895.7635 -109232.9149 299.5355 68.6907 96.0138 759942.6641 14.5230 14.6314 LDB: ============= START OF LOAD BALANCING ============== 14567.2 LDB: ============== END OF LOAD BALANCING =============== 14567.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14567.2 LDB: ============= START OF LOAD BALANCING ============== 14567.5 LDB: Largest compute 7075 load 0.036258 is 18.5% of average load 0.196025 LDB: Average compute 0.004387 is 2.2% of average load 0.196025 LDB: TIME 14567.5 LOAD: AVG 0.196025 MAX 0.218131 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 236.93 MB LDB: TIME 14567.5 LOAD: AVG 0.196025 MAX 0.218131 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: TIME 14567.5 LOAD: AVG 0.196025 MAX 0.218131 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14567.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14567.5 PRESSURE: 4580400 66.5846 -10.7991 168.917 -10.8 205.033 -144.301 168.917 -144.302 24.7984 GPRESSURE: 4580400 168.564 -110.031 152.966 71.6848 160.724 -128.533 115.007 -104.73 55.034 PRESSAVG: 4580400 -32.397 -28.3906 7.02978 -28.3906 23.3887 -24.2704 7.02974 -24.2704 -3.63227 GPRESSAVG: 4580400 -32.9366 -27.6388 8.67976 -29.913 24.3255 -24.7947 7.42657 -22.7507 -3.48752 TIMING: 4580400 CPU: 14555.4, 0.0032939/step Wall: 14555.4, 0.0032939/step, 0.383922 hours remaining, 239.691406 MB of memory in use. ENERGY: 4580400 3953.2897 20590.6982 14512.7413 247.8757 -203560.4407 2386.0088 0.0000 0.0000 52150.0442 -109719.7827 299.7070 -161869.8270 -109357.9339 299.7455 98.8054 128.1071 760447.2510 -4.2135 -4.0329 PRESSURE: 4580600 -676.204 -23.4923 -125.099 -23.4927 -566.394 -174.031 -125.099 -174.032 -191.446 GPRESSURE: 4580600 -660.752 7.34434 -99.1448 3.50071 -478.961 -64.3962 -67.4668 -159.746 -218.096 PRESSAVG: 4580600 32.7961 -3.77338 -7.0452 -3.77344 -6.90814 -0.62146 -7.04519 -0.621484 3.45428 GPRESSAVG: 4580600 32.5775 -6.04267 -7.34846 -4.10346 -6.59685 0.0629431 -6.50839 0.0456192 3.41996 TIMING: 4580600 CPU: 14556.1, 0.00321911/step Wall: 14556.1, 0.00321911/step, 0.375026 hours remaining, 239.894531 MB of memory in use. ENERGY: 4580600 4048.1149 20478.4407 14467.3960 253.2588 -203117.4940 2021.2966 0.0000 0.0000 52379.3457 -109469.6414 301.0248 -161848.9871 -109101.0931 299.7243 -478.0150 -452.6031 761613.8160 9.7808 9.8002 PRESSURE: 4580800 -281.939 64.7998 -33.7922 64.7997 30.435 230.139 -33.7914 230.139 148.177 GPRESSURE: 4580800 -217.553 38.4343 75.8216 44.4904 85.5303 198.733 -46.0205 99.1851 104.228 PRESSAVG: 4580800 -14.2076 -13.5224 -10.6456 -13.5224 -0.733896 -7.93979 -10.6456 -7.93972 4.54156 GPRESSAVG: 4580800 -14.7072 -13.3416 -13.2758 -14.0732 -0.975648 -9.02112 -8.39525 -9.03649 5.64752 TIMING: 4580800 CPU: 14556.7, 0.00318204/step Wall: 14556.7, 0.00318204/step, 0.370531 hours remaining, 239.894531 MB of memory in use. ENERGY: 4580800 4006.0550 20638.8745 14531.3553 247.5166 -203208.3680 2328.5104 0.0000 0.0000 52133.5337 -109322.5225 299.6121 -161456.0562 -108966.4599 299.9289 -34.4421 -9.2648 760429.9446 -3.4666 -3.3451 PRESSURE: 4581000 186.044 57.9102 -239.691 57.9109 360.107 211.883 -239.692 211.882 -308.779 GPRESSURE: 4581000 175.967 106.961 -222.322 97.195 406.861 226.375 -228.026 184.372 -274.466 PRESSAVG: 4581000 9.94114 -63.158 49.8716 -63.158 -13.7302 -45.1129 49.8716 -45.113 15.4446 GPRESSAVG: 4581000 10.3072 -63.4818 51.8671 -60.5356 -13.956 -44.2009 47.2614 -44.7607 14.3958 TIMING: 4581000 CPU: 14557.4, 0.00323017/step Wall: 14557.4, 0.00323017/step, 0.375955 hours remaining, 239.894531 MB of memory in use. ENERGY: 4581000 3976.7761 20525.7344 14439.9192 233.4654 -203068.8010 2469.0346 0.0000 0.0000 52363.5486 -109060.3227 300.9340 -161423.8714 -108684.4963 300.2469 79.1237 102.7872 759522.2695 3.8852 3.5824 PRESSURE: 4581200 88.4711 -83.8239 82.2076 -83.8233 -15.6138 24.2478 82.2074 24.2472 432.346 GPRESSURE: 4581200 109.631 71.53 117.892 -157.044 11.3145 67.6821 189.108 -132.229 484.024 PRESSAVG: 4581200 -41.5952 -70.4277 18.0773 -70.4277 35.648 -34.2378 18.0773 -34.2378 0.527845 GPRESSAVG: 4581200 -41.0762 -68.6008 17.5639 -72.3098 34.7956 -32.2505 19.3 -34.815 0.747526 TIMING: 4581200 CPU: 14558, 0.00320312/step Wall: 14558, 0.00320312/step, 0.372629 hours remaining, 239.894531 MB of memory in use. ENERGY: 4581200 4001.1643 20391.7937 14468.3526 240.4623 -203282.9102 2582.5680 0.0000 0.0000 52211.7231 -109386.8464 300.0615 -161598.5695 -109012.7575 299.4799 168.4012 201.6565 760287.7753 -1.8064 -1.8444 PRESSURE: 4581400 -335.873 181.066 139.603 181.065 -34.7552 49.4116 139.602 49.411 35.5846 GPRESSURE: 4581400 -289.826 113.746 103.7 304.597 35.149 66.1527 225.119 -15.1835 16.8341 PRESSAVG: 4581400 -27.3737 -3.35838 31.9133 -3.35842 18.0263 15.871 31.9133 15.871 -3.08375 GPRESSAVG: 4581400 -28.2965 -2.90407 32.429 -1.65723 19.0106 14.4755 32.6941 14.6161 -3.03161 TIMING: 4581400 CPU: 14558.7, 0.00321525/step Wall: 14558.7, 0.00321525/step, 0.373863 hours remaining, 239.894531 MB of memory in use. ENERGY: 4581400 4030.1314 20565.9726 14454.4546 249.1817 -202769.0572 2065.9408 0.0000 0.0000 52118.1025 -109285.2735 299.5235 -161403.3761 -108933.7070 299.8730 -111.6813 -79.2808 760321.8817 -4.1437 -4.1058 PRESSURE: 4581600 -58.783 -17.1061 156.719 -17.1059 -343.317 -43.6756 156.719 -43.6753 134.809 GPRESSURE: 4581600 38.1706 62.8015 204.623 -101.585 -316.778 39.5272 120.142 -67.8232 103.326 PRESSAVG: 4581600 -19.6989 -9.63647 0.815175 -9.63638 22.0716 -23.2932 0.815229 -23.2933 -7.7398 GPRESSAVG: 4581600 -19.4986 -10.5235 -0.480868 -12.1197 22.0212 -22.9368 -2.43851 -21.5809 -7.8143 TIMING: 4581600 CPU: 14559.3, 0.00322889/step Wall: 14559.3, 0.00322889/step, 0.375268 hours remaining, 239.894531 MB of memory in use. ENERGY: 4581600 4112.5085 20575.9942 14433.5991 255.3546 -203016.4706 2290.5335 0.0000 0.0000 51919.0056 -109429.4752 298.3792 -161348.4807 -109076.9407 300.2446 -89.0971 -58.4272 760247.4955 -1.7890 -1.7639 PRESSURE: 4581800 -23.6297 -71.5223 -123.348 -71.5235 251.013 -155.411 -123.348 -155.411 38.7898 GPRESSURE: 4581800 -25.4147 -26.9186 -117.48 39.6062 270.119 -63.2139 148.997 -204.628 115.092 PRESSAVG: 4581800 -43.083 16.0293 22.4268 16.0293 30.0751 -51.5751 22.4267 -51.5753 -16.8983 GPRESSAVG: 4581800 -43.2674 14.5461 23.5964 18.7771 29.9454 -51.723 23.7898 -51.6011 -16.7881 TIMING: 4581800 CPU: 14559.9, 0.00321642/step Wall: 14559.9, 0.00321642/step, 0.37364 hours remaining, 239.894531 MB of memory in use. ENERGY: 4581800 3944.4883 20527.1690 14452.8228 234.4950 -203288.5791 2487.9645 0.0000 0.0000 51953.8003 -109687.8391 298.5792 -161641.6394 -109330.3791 299.4167 88.7243 119.9323 758792.9540 -9.9687 -10.0367 PRESSURE: 4582000 -198.469 2.10142 30.9205 2.1013 -119.86 71.584 30.9201 71.5836 138.151 GPRESSURE: 4582000 -152.127 -10.7071 -13.9042 -30.7399 -67.9436 0.885869 36.8029 18.8828 116.564 PRESSAVG: 4582000 -26.1013 26.0041 -0.454231 26.0041 -38.6452 -12.3495 -0.454253 -12.3496 2.43719 GPRESSAVG: 4582000 -25.5355 28.4193 -0.850724 23.5762 -39.2872 -11.9611 1.30649 -14.8055 2.09506 TIMING: 4582000 CPU: 14560.6, 0.00321782/step Wall: 14560.6, 0.00321782/step, 0.373625 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4582000 4046.8956 20674.1550 14284.1989 235.2557 -203142.9422 2191.8468 0.0000 0.0000 51986.0800 -109724.5103 298.7647 -161710.5903 -109362.0598 298.8978 -60.0591 -34.5021 759738.5558 -20.7698 -20.9092 PRESSURE: 4582200 151.113 -34.3004 245.314 -34.302 469.104 -90.6147 245.314 -90.6154 -48.1314 GPRESSURE: 4582200 142.16 -66.7248 181.945 -29.3904 483.917 -121.856 142.456 -63.4122 13.4383 PRESSAVG: 4582200 0.816233 10.7527 -6.36329 10.7527 24.4402 -22.5049 -6.36326 -22.505 -35.6381 GPRESSAVG: 4582200 0.758023 10.2856 -5.73907 11.0956 23.7818 -22.1999 -7.32708 -21.4528 -35.2178 TIMING: 4582200 CPU: 14561.2, 0.00321576/step Wall: 14561.2, 0.00321576/step, 0.373206 hours remaining, 239.894531 MB of memory in use. ENERGY: 4582200 3969.6655 20587.0589 14422.6754 242.8002 -203335.3459 2362.5131 0.0000 0.0000 52134.7607 -109615.8721 299.6192 -161750.6328 -109262.1269 299.4692 190.6951 213.1716 759240.7680 -3.4606 -3.5593 PRESSURE: 4582400 251.072 91.0747 -84.6282 91.0756 -208.547 -167.143 -84.6282 -167.144 -310.31 GPRESSURE: 4582400 208.705 82.4437 -127.934 31.9325 -98.4854 -161.32 -59.8525 -189.179 -285.051 PRESSAVG: 4582400 -39.0346 -10.1476 48.7957 -10.1476 79.7009 -44.5283 48.7957 -44.5284 5.11562 GPRESSAVG: 4582400 -39.8301 -10.8138 48.6924 -9.86718 80.5331 -44.259 48.1763 -42.907 5.71692 TIMING: 4582400 CPU: 14561.9, 0.00336183/step Wall: 14561.9, 0.00336183/step, 0.389973 hours remaining, 239.894531 MB of memory in use. ENERGY: 4582400 4070.0408 20608.7993 14409.5100 241.0896 -203936.9769 2952.5650 0.0000 0.0000 52117.1399 -109537.8322 299.5179 -161654.9722 -109181.4037 299.7299 -89.2616 -58.2771 759906.3644 15.2606 15.4733 PRESSURE: 4582600 -250.459 -8.39993 26.6101 -8.39945 -134.209 35.2282 26.6094 35.2276 196.798 GPRESSURE: 4582600 -159.505 49.2445 153.818 -35.6682 -182.105 36.9557 -73.4433 2.22644 229.997 PRESSAVG: 4582600 -5.06738 -56.9231 15.3321 -56.9231 30.7749 7.90725 15.3321 7.90716 10.1411 GPRESSAVG: 4582600 -3.43454 -57.1849 15.5043 -56.2696 31.4906 6.86781 14.1183 5.38415 7.8149 TIMING: 4582600 CPU: 14562.6, 0.00321876/step Wall: 14562.6, 0.00321876/step, 0.373198 hours remaining, 239.894531 MB of memory in use. ENERGY: 4582600 3958.4913 20427.1553 14324.1568 259.9952 -203287.9460 2333.3056 0.0000 0.0000 52288.4751 -109696.3667 300.5026 -161984.8419 -109337.6774 299.0890 -62.6233 -37.2045 762115.1016 11.9495 11.9570 PRESSURE: 4582800 144.405 181.375 10.994 181.376 -113.245 38.4079 10.9937 38.409 227.263 GPRESSURE: 4582800 148.124 239.943 -81.7935 200.005 -8.86115 46.1802 -8.35066 -1.64036 196.558 PRESSAVG: 4582800 11.3886 -33.3662 -7.18049 -33.3663 -8.15764 7.58322 -7.18048 7.58328 21.0229 GPRESSAVG: 4582800 8.77413 -30.8347 -7.66356 -34.9887 -7.61798 8.40684 -6.21514 8.2521 23.1384 TIMING: 4582800 CPU: 14563.2, 0.00322035/step Wall: 14563.2, 0.00322035/step, 0.373203 hours remaining, 239.894531 MB of memory in use. ENERGY: 4582800 3898.7280 20446.5504 14357.9417 236.8755 -203355.8236 2444.3686 0.0000 0.0000 52146.4444 -109824.9150 299.6863 -161971.3594 -109464.5217 298.6651 86.1409 111.9404 761765.8112 8.0846 8.0982 PRESSURE: 4583000 404.268 -137.381 96.1007 -137.382 167.325 -158.729 96.1018 -158.727 338.381 GPRESSURE: 4583000 351.443 -206.855 9.91229 -171.527 281.568 -85.5235 40.6937 -199.511 361.033 PRESSAVG: 4583000 -26.933 -17.1502 -5.09513 -17.1502 52.2741 22.2109 -5.0952 22.2109 -14.8182 GPRESSAVG: 4583000 -25.597 -20.4139 -5.30632 -15.9962 51.9088 19.9335 -3.62029 23.9129 -16.0744 TIMING: 4583000 CPU: 14563.8, 0.00319332/step Wall: 14563.8, 0.00319332/step, 0.369893 hours remaining, 239.894531 MB of memory in use. ENERGY: 4583000 3998.5331 20605.4412 14454.7628 237.8462 -203476.3707 2673.5211 0.0000 0.0000 51598.6974 -109907.5688 296.5384 -161506.2663 -109548.1741 298.1768 303.3245 331.3483 761034.7995 3.5076 3.4125 PRESSURE: 4583200 -27.9606 40.354 -128.532 40.3539 136.663 76.2205 -128.532 76.221 -448.141 GPRESSURE: 4583200 -7.87811 -8.18223 -210.939 0.752419 193.642 199.04 -46.6379 5.00091 -433.718 PRESSAVG: 4583200 -5.77523 -56.3818 12.9845 -56.3817 -3.96191 -17.4696 12.9845 -17.4696 2.40131 GPRESSAVG: 4583200 -5.14122 -55.766 13.3466 -55.4636 -5.11324 -16.1928 10.4906 -18.0806 3.18974 TIMING: 4583200 CPU: 14564.5, 0.0032141/step Wall: 14564.5, 0.0032141/step, 0.372122 hours remaining, 239.894531 MB of memory in use. ENERGY: 4583200 3980.7177 20414.2174 14422.9928 239.0916 -203753.8794 2655.7784 0.0000 0.0000 51988.7709 -110052.3106 298.7802 -162041.0815 -109691.4102 298.1355 -113.1461 -82.6513 760891.0859 -2.4453 -2.3549 PRESSURE: 4583400 -156.749 71.92 25.0394 71.9203 120.699 19.3481 25.039 19.3485 -402.817 GPRESSURE: 4583400 -125.085 72.0034 4.77759 88.6931 133.583 52.0317 -19.0596 -57.344 -372.573 PRESSAVG: 4583400 -31.5363 -56.6788 -6.68496 -56.6788 14.9444 -6.73687 -6.68505 -6.73689 -1.61703 GPRESSAVG: 4583400 -30.8485 -57.6718 -7.0306 -57.4725 13.8067 -6.52772 -5.41108 -7.07257 -1.3361 TIMING: 4583400 CPU: 14565.1, 0.0032287/step Wall: 14565.1, 0.0032287/step, 0.373632 hours remaining, 239.894531 MB of memory in use. ENERGY: 4583400 3955.1385 20646.8848 14352.5638 244.8654 -203547.2564 2572.0972 0.0000 0.0000 51892.6477 -109883.0590 298.2278 -161775.7068 -109519.9232 298.4211 -146.2890 -121.3580 760814.6455 -6.0696 -6.1260 PRESSURE: 4583600 459.252 -54.3009 -279.118 -54.3019 87.9793 35.0837 -279.118 35.0844 485.277 GPRESSURE: 4583600 421.899 -45.8681 -188.114 43.4418 149.168 -19.5577 -255.662 -32.4431 545.676 PRESSAVG: 4583600 -40.4096 -69.9247 -45.9122 -69.9247 75.6024 -6.96202 -45.9122 -6.96198 23.7441 GPRESSAVG: 4583600 -42.0782 -69.9451 -46.5424 -68.6722 78.2472 -6.1491 -47.2543 -8.88427 22.792 TIMING: 4583600 CPU: 14565.8, 0.00321881/step Wall: 14565.8, 0.00321881/step, 0.372309 hours remaining, 239.894531 MB of memory in use. ENERGY: 4583600 3957.4199 20645.2643 14432.6295 235.2610 -203938.4521 2838.1148 0.0000 0.0000 52040.7105 -109789.0522 299.0787 -161829.7627 -109427.0338 299.2483 344.1694 372.2475 760130.7815 19.6457 19.6537 PRESSURE: 4583800 -223.723 -75.5826 -411.266 -75.5835 -337.945 23.6038 -411.266 23.6032 -221.023 GPRESSURE: 4583800 -136.886 -54.1616 -322.788 -75.2608 -288.219 -40.399 -442.609 115.278 -245.07 PRESSAVG: 4583800 -44.7351 -29.6188 2.12294 -29.6189 7.01539 -40.0195 2.12299 -40.0196 -5.28226 GPRESSAVG: 4583800 -44.5266 -28.2997 4.02784 -31.4204 6.15479 -42.0763 3.38354 -37.1555 -4.48193 TIMING: 4583800 CPU: 14566.4, 0.00319796/step Wall: 14566.4, 0.00319796/step, 0.369719 hours remaining, 239.894531 MB of memory in use. ENERGY: 4583800 3990.2118 20625.0909 14337.2141 226.5565 -203387.9749 2327.1031 0.0000 0.0000 52018.2221 -109863.5765 298.9494 -161881.7986 -109508.6066 299.1747 -260.8971 -223.3916 760591.3809 -14.3340 -14.2846 PRESSURE: 4584000 212.13 63.8326 101.611 63.8319 -32.9571 -166.277 101.61 -166.278 343.3 GPRESSURE: 4584000 138.555 -18.7507 132.213 69.5571 43.8933 -131.563 106.625 -90.0919 419.511 PRESSAVG: 4584000 15.8065 -42.1466 -17.1997 -42.1466 -11.8879 -12.8154 -17.1997 -12.8153 -7.01564 GPRESSAVG: 4584000 15.0866 -44.4105 -17.4162 -39.771 -11.6297 -12.4386 -19.7859 -11.9065 -7.07853 TIMING: 4584000 CPU: 14567, 0.00319992/step Wall: 14567, 0.00319992/step, 0.369769 hours remaining, 239.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4584000 3911.2700 20482.1686 14443.7463 244.0345 -203677.1580 2715.2355 0.0000 0.0000 52006.4300 -109874.2732 298.8817 -161880.7032 -109503.1019 298.3968 174.1576 200.6529 761044.3478 -1.0324 -1.2072 PRESSURE: 4584200 -52.7705 67.5312 96.7993 67.5311 -166.98 -318.022 96.7997 -318.022 -457.171 GPRESSURE: 4584200 33.7881 47.2925 85.3366 124.435 -122.62 -214.453 65.0778 -227.409 -480.233 PRESSAVG: 4584200 -13.9218 -1.26304 -14.8094 -1.263 14.4982 -11.2494 -14.8094 -11.2494 13.7956 GPRESSAVG: 4584200 -13.1432 2.58565 -15.2208 -2.50664 14.2821 -10.7436 -12.2892 -12.2679 13.3998 TIMING: 4584200 CPU: 14567.7, 0.00324378/step Wall: 14567.7, 0.00324378/step, 0.374656 hours remaining, 239.894531 MB of memory in use. ENERGY: 4584200 4056.7889 20341.5695 14417.3422 238.1734 -203479.8706 2594.2846 0.0000 0.0000 52070.0482 -109761.6637 299.2473 -161831.7120 -109390.5280 298.6299 -225.6407 -189.6883 761703.6367 4.7907 4.8462 LDB: ============= START OF LOAD BALANCING ============== 14580.1 LDB: ============== END OF LOAD BALANCING =============== 14580.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14580.1 LDB: ============= START OF LOAD BALANCING ============== 14580.4 LDB: Largest compute 7048 load 0.036468 is 18.6% of average load 0.196067 LDB: Average compute 0.004372 is 2.2% of average load 0.196067 LDB: TIME 14580.4 LOAD: AVG 0.196067 MAX 0.216907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 14580.4 LOAD: AVG 0.196067 MAX 0.216908 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 14580.4 LOAD: AVG 0.196067 MAX 0.216908 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14580.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14580.4 PRESSURE: 4584400 269.392 174.876 -82.2802 174.876 267.38 97.2325 -82.2792 97.2325 184.37 GPRESSURE: 4584400 350.057 120.247 -87.3564 147.841 313.588 8.36939 -53.4205 116.906 115.066 PRESSAVG: 4584400 12.0131 -15.2518 -11.2641 -15.2519 -19.5655 -35.0666 -11.2641 -35.0666 18.6325 GPRESSAVG: 4584400 13.3268 -16.7383 -12.1222 -15.754 -19.9262 -36.2617 -11.9177 -34.5976 17.4492 TIMING: 4584400 CPU: 14568.4, 0.00329042/step Wall: 14568.4, 0.00329042/step, 0.379861 hours remaining, 239.433594 MB of memory in use. ENERGY: 4584400 4041.2407 20417.5521 14477.0621 242.3796 -203535.3588 2720.6806 0.0000 0.0000 51937.7844 -109698.6594 298.4872 -161636.4438 -109334.1473 298.9299 240.3808 259.5704 761457.9890 3.6934 3.6166 PRESSURE: 4584600 133.644 -51.2974 72.3102 -51.2978 -295.415 -108.223 72.311 -108.223 -21.8547 GPRESSURE: 4584600 58.4513 -129.471 72.0454 90.2901 -228.872 -185.284 -5.41761 -86.1521 73.0654 PRESSAVG: 4584600 -50.0062 -48.74 14.6107 -48.74 27.3899 3.83524 14.6107 3.8352 -10.2382 GPRESSAVG: 4584600 -50.2815 -49.0997 13.8515 -48.2863 27.2004 4.11175 15.8113 2.39864 -9.01584 TIMING: 4584600 CPU: 14569, 0.00317632/step Wall: 14569, 0.00317632/step, 0.366512 hours remaining, 239.503906 MB of memory in use. ENERGY: 4584600 3943.1668 20597.5889 14400.0010 235.1570 -203160.7082 2312.6752 0.0000 0.0000 51995.2346 -109676.8847 298.8173 -161672.1193 -109321.9792 298.4875 -61.2087 -32.4519 759810.8075 -10.9515 -10.6990 PRESSURE: 4584800 45.8484 -55.2868 -42.6918 -55.2875 27.053 -227.214 -42.6915 -227.214 26.9089 GPRESSURE: 4584800 141.903 -106.084 -47.8467 -82.8261 -23.9053 -197.985 25.9472 -343.946 57.1057 PRESSAVG: 4584800 -27.495 -73.193 -15.1073 -73.1929 3.1922 33.946 -15.1074 33.946 8.38004 GPRESSAVG: 4584800 -26.6803 -69.454 -13.2838 -73.1216 3.74737 35.6542 -17.2117 33.4424 7.09409 TIMING: 4584800 CPU: 14569.6, 0.0031881/step Wall: 14569.6, 0.0031881/step, 0.367695 hours remaining, 239.761719 MB of memory in use. ENERGY: 4584800 4023.6193 20503.9030 14489.7553 246.3388 -203509.4920 2581.3410 0.0000 0.0000 52095.3846 -109569.1501 299.3929 -161664.5347 -109199.5342 298.8991 33.2701 58.3677 759002.0780 -5.3076 -5.2796 PRESSURE: 4585000 74.0051 -150.044 190.504 -150.044 -204.198 27.2812 190.505 27.2803 -113.242 GPRESSURE: 4585000 47.2606 -123.386 241.537 -242.968 -140.14 -21.6342 223.971 114.163 -72.3721 PRESSAVG: 4585000 -51.2826 -62.8842 -26.7497 -62.8841 60.3664 -8.03934 -26.7497 -8.0394 -23.2451 GPRESSAVG: 4585000 -50.7463 -66.5271 -27.8222 -62.1037 59.4197 -8.22608 -24.2207 -8.62925 -22.1339 TIMING: 4585000 CPU: 14570.3, 0.00321639/step Wall: 14570.3, 0.00321639/step, 0.370778 hours remaining, 239.761719 MB of memory in use. ENERGY: 4585000 3945.6830 20441.8351 14510.5087 235.4682 -203238.5903 2494.7800 0.0000 0.0000 52052.1363 -109558.1790 299.1443 -161610.3153 -109190.9116 299.2817 -81.1451 -55.0837 761005.0718 -4.7204 -4.4869 PRESSURE: 4585200 -266.142 30.8718 300.761 30.8715 94.1817 99.2601 300.763 99.2604 103.996 GPRESSURE: 4585200 -263.415 28.6566 241.397 -21.7396 154.429 87.2222 258.828 114.043 147.374 PRESSAVG: 4585200 -80.6747 -42.739 24.0705 -42.739 18.2414 -19.171 24.0705 -19.1709 -8.59308 GPRESSAVG: 4585200 -81.3544 -42.8113 24.3452 -44.0581 19.6008 -21.6634 23.2576 -17.9755 -8.74581 TIMING: 4585200 CPU: 14570.9, 0.00321384/step Wall: 14570.9, 0.00321383/step, 0.370305 hours remaining, 239.761719 MB of memory in use. ENERGY: 4585200 3983.2555 20501.6654 14484.5291 232.5470 -203215.2839 2350.9721 0.0000 0.0000 52024.8837 -109637.4312 298.9877 -161662.3148 -109271.4937 298.7308 -22.6546 12.7958 760632.9822 -23.6755 -23.4998 PRESSURE: 4585400 -67.6479 157.873 88.1613 157.873 148.761 -11.1588 88.1607 -11.1581 114.129 GPRESSURE: 4585400 1.01301 95.7637 92.7816 119.031 157.898 2.60078 -32.4922 -115.539 122.645 PRESSAVG: 4585400 -75.2472 6.53031 53.2988 6.53038 29.1819 -24.4506 53.2989 -24.4506 -7.38006 GPRESSAVG: 4585400 -74.1593 7.54135 53.4301 5.1301 28.5046 -24.0408 52.1212 -25.7204 -7.63658 TIMING: 4585400 CPU: 14571.6, 0.00319486/step Wall: 14571.6, 0.00319486/step, 0.367941 hours remaining, 239.761719 MB of memory in use. ENERGY: 4585400 3982.4933 20615.4565 14524.0749 241.7687 -203158.2727 2540.6544 0.0000 0.0000 51810.9904 -109442.8346 297.7585 -161253.8250 -109099.8469 299.3492 65.0807 93.8520 760810.5890 -17.8151 -17.7638 PRESSURE: 4585600 -285.179 163.787 -49.0306 163.787 133.107 168.456 -49.0307 168.456 -32.0741 GPRESSURE: 4585600 -136.1 162.288 -235.1 90.0264 46.9323 96.2748 63.2115 121.868 -6.87777 PRESSAVG: 4585600 -111.988 33.5005 31.9136 33.5005 39.5039 -0.99407 31.9136 -0.994041 -10.468 GPRESSAVG: 4585600 -112.729 34.4026 32.0842 33.2805 39.3767 -0.400408 32.7667 -1.44626 -9.44813 TIMING: 4585600 CPU: 14572.2, 0.00319751/step Wall: 14572.2, 0.00319751/step, 0.368069 hours remaining, 239.761719 MB of memory in use. ENERGY: 4585600 3941.4559 20637.1200 14404.1027 251.5395 -203503.2897 2597.2835 0.0000 0.0000 52324.2886 -109347.4994 300.7084 -161671.7881 -108980.4869 299.3393 -61.3818 -32.0152 761725.0078 -27.6508 -27.6000 PRESSURE: 4585800 -210.173 -33.3746 -87.8033 -33.3756 -18.4938 -29.7448 -87.804 -29.7458 -11.4185 GPRESSURE: 4585800 -171.577 -61.8823 -147.483 -99.6767 71.8426 5.38149 25.4168 -126.554 -36.7368 PRESSAVG: 4585800 2.50414 11.4875 -11.6893 11.4875 -18.8299 65.4817 -11.6893 65.4817 7.2347 GPRESSAVG: 4585800 2.24171 9.93921 -13.8158 13.4838 -17.9587 65.3545 -9.79694 66.273 6.70673 TIMING: 4585800 CPU: 14572.8, 0.00318249/step Wall: 14572.8, 0.00318249/step, 0.366163 hours remaining, 239.761719 MB of memory in use. ENERGY: 4585800 3989.0039 20493.4000 14492.9909 244.0851 -203932.8875 2981.8923 0.0000 0.0000 52249.2691 -109482.2462 300.2773 -161731.5153 -109129.7502 299.3626 -80.0283 -45.4904 760894.9662 -3.0303 -3.0034 PRESSURE: 4586000 274.566 164.99 4.01802 164.991 100.759 271.769 4.01691 271.768 -110.739 GPRESSURE: 4586000 203.062 101.036 30.551 126.235 223.795 211.564 13.2639 193.249 -78.1231 PRESSAVG: 4586000 -15.7388 -13.4214 1.0395 -13.4214 30.367 -14.8027 1.0394 -14.8028 -5.67669 GPRESSAVG: 4586000 -15.515 -12.3196 3.57004 -18.1253 30.3369 -14.5681 -1.45703 -14.5519 -5.84199 TIMING: 4586000 CPU: 14573.5, 0.0031784/step Wall: 14573.5, 0.0031784/step, 0.365516 hours remaining, 239.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4586000 4026.6683 20526.5682 14434.4672 229.4755 -203616.4383 2789.0553 0.0000 0.0000 52099.8020 -109510.4018 299.4183 -161610.2038 -109140.9804 299.8008 88.1956 116.2448 760897.5333 2.9838 2.9933 PRESSURE: 4586200 -310.042 70.8606 -270.074 70.8602 -319.882 -319.686 -270.073 -319.685 -1.30306 GPRESSURE: 4586200 -393.231 17.7029 -336.547 164.127 -165.532 -377.113 -248.411 -100.28 22.4217 PRESSAVG: 4586200 3.84108 27.8073 -2.18269 27.8073 10.77 -5.73406 -2.18276 -5.73407 2.72977 GPRESSAVG: 4586200 4.11177 25.9363 -3.05721 30.795 10.7767 -5.3239 -2.45495 -5.16682 2.87241 TIMING: 4586200 CPU: 14574.1, 0.00318955/step Wall: 14574.1, 0.00318955/step, 0.366621 hours remaining, 239.761719 MB of memory in use. ENERGY: 4586200 3990.9110 20503.5336 14424.6527 237.6383 -203315.8185 2523.1046 0.0000 0.0000 52092.4293 -109543.5489 299.3759 -161635.9782 -109191.4186 299.7366 -210.4092 -178.7802 761264.9740 5.7803 5.9203 PRESSURE: 4586400 -45.4009 -82.0434 125.599 -82.0432 276.233 -22.464 125.599 -22.4643 365.982 GPRESSURE: 4586400 9.31656 -17.7845 149.225 -149.298 351.444 7.66389 61.6893 34.7014 322.975 PRESSAVG: 4586400 -20.3734 -36.5604 80.178 -36.5603 25.813 46.999 80.1781 46.999 5.87585 GPRESSAVG: 4586400 -20.1152 -34.4694 80.4946 -37.413 25.8646 46.6052 80.1193 46.7956 5.75734 TIMING: 4586400 CPU: 14574.7, 0.00317597/step Wall: 14574.7, 0.00317597/step, 0.364884 hours remaining, 239.761719 MB of memory in use. ENERGY: 4586400 4073.2342 20494.5909 14496.1476 245.7862 -203779.9621 2847.6156 0.0000 0.0000 52210.1493 -109412.4383 300.0524 -161622.5877 -109049.0319 299.9500 198.9380 227.9121 760690.1158 3.7718 3.8356 PRESSURE: 4586600 356.584 -37.4666 32.9669 -37.4658 15.065 149.51 32.9658 149.51 226.405 GPRESSURE: 4586600 353.937 -191.522 22.5123 44.1093 15.8884 129.063 -80.6517 46.4521 304.023 PRESSAVG: 4586600 21.4929 -28.5087 7.35301 -28.5088 -29.2628 8.63919 7.35297 8.63922 -12.4879 GPRESSAVG: 4586600 22.0054 -31.4614 8.52555 -25.3311 -29.512 7.58251 6.52539 6.15147 -12.3214 TIMING: 4586600 CPU: 14575.4, 0.003234/step Wall: 14575.4, 0.003234/step, 0.371371 hours remaining, 239.761719 MB of memory in use. ENERGY: 4586600 3906.9709 20436.5571 14472.6760 256.5331 -203546.9218 2754.9567 0.0000 0.0000 52143.0559 -109576.1721 299.6669 -161719.2281 -109205.8049 300.1037 199.3514 224.6163 760662.8398 -6.7526 -6.6093 PRESSURE: 4586800 -131.015 -63.8831 -35.7701 -63.883 -120.056 -11.6396 -35.7691 -11.6401 -84.4613 GPRESSURE: 4586800 -53.4428 -157.772 5.10358 -223.081 -134.455 1.022 -85.2721 26.6449 -74.3534 PRESSAVG: 4586800 39.4902 20.6208 42.8878 20.6208 -67.3673 -52.7288 42.8878 -52.7288 1.81296 GPRESSAVG: 4586800 39.3497 20.4198 42.2003 18.0032 -68.0449 -50.8609 44.3354 -52.519 2.77851 TIMING: 4586800 CPU: 14576, 0.0032269/step Wall: 14576, 0.0032269/step, 0.370377 hours remaining, 239.761719 MB of memory in use. ENERGY: 4586800 4039.5179 20453.2432 14444.8270 243.0415 -203414.5532 2523.1619 0.0000 0.0000 52079.5203 -109631.2414 299.3017 -161710.7617 -109274.4045 299.3796 -111.8441 -87.4172 761624.5515 -8.6880 -8.6389 PRESSURE: 4587000 -281.629 -26.1608 -26.9448 -26.1607 -26.0686 -45.4923 -26.9445 -45.4912 225.862 GPRESSURE: 4587000 -218.314 -9.08856 -58.1082 -11.2547 46.5501 -87.8822 60.2002 -14.9552 213.049 PRESSAVG: 4587000 12.4434 -1.41044 27.126 -1.41048 -94.5419 -41.6167 27.1261 -41.6166 -0.239422 GPRESSAVG: 4587000 14.1023 1.12126 26.9341 -1.56648 -93.5379 -41.6773 28.5279 -38.0798 -2.24205 TIMING: 4587000 CPU: 14576.7, 0.00318825/step Wall: 14576.7, 0.00318825/step, 0.365763 hours remaining, 239.761719 MB of memory in use. ENERGY: 4587000 4079.7450 20271.9084 14435.6279 243.1695 -203789.1494 2654.5656 0.0000 0.0000 52250.8518 -109853.2811 300.2864 -162104.1329 -109490.0031 298.9397 -27.2785 13.7618 760735.6071 -27.4460 -27.2259 PRESSURE: 4587200 392.09 -113.828 72.3919 -113.827 432.934 230.784 72.3916 230.784 476.462 GPRESSURE: 4587200 507.615 2.3744 7.66698 -190 455.161 179.924 84.9515 121.029 435.301 PRESSAVG: 4587200 102.928 -0.389852 23.8472 -0.389859 -79.0702 35.156 23.8472 35.156 -35.1939 GPRESSAVG: 4587200 101.12 -1.39902 23.735 -1.59574 -78.6347 34.3685 22.4647 33.7098 -33.3944 TIMING: 4587200 CPU: 14577.3, 0.00318402/step Wall: 14577.3, 0.00318402/step, 0.365101 hours remaining, 239.761719 MB of memory in use. ENERGY: 4587200 3950.1836 20472.4074 14460.7380 239.3185 -204450.6469 3003.1399 0.0000 0.0000 52512.9675 -109811.8920 301.7927 -162324.8595 -109447.6202 299.4588 433.8289 466.0257 760014.5342 -3.7786 -3.6364 PRESSURE: 4587400 -10.5887 -217.453 -28.5979 -217.453 -385.352 173.239 -28.5971 173.239 -170.856 GPRESSURE: 4587400 -29.3607 -123.31 -65.4633 -137.215 -318.953 166.07 -84.9589 29.1562 -124.58 PRESSAVG: 4587400 70.8342 3.22543 46.9329 3.22548 -16.818 21.3059 46.9329 21.3059 7.77289 GPRESSAVG: 4587400 70.6359 4.21197 46.8885 4.88106 -17.8663 21.9125 48.457 19.2032 8.05815 TIMING: 4587400 CPU: 14577.9, 0.00316882/step Wall: 14577.9, 0.00316882/step, 0.363182 hours remaining, 239.761719 MB of memory in use. ENERGY: 4587400 4054.6693 20500.9465 14490.2801 246.0883 -204169.2901 2828.9555 0.0000 0.0000 52325.0026 -109723.3478 300.7125 -162048.3504 -109357.7328 299.8602 -188.9323 -157.6312 759610.9552 20.5964 20.2759 PRESSURE: 4587600 44.1738 -28.1005 67.3818 -28.0998 28.191 -136.364 67.3816 -136.362 -278.207 GPRESSURE: 4587600 135.522 -58.8228 -49.1897 -15.1999 50.1241 -166.805 101.829 -68.4095 -288.347 PRESSAVG: 4587600 75.9242 -23.4575 -16.8202 -23.4575 -64.9901 -19.8879 -16.8203 -19.8878 13.0698 GPRESSAVG: 4587600 76.2725 -24.4391 -18.6491 -24.3286 -65.2847 -20.9448 -17.085 -18.286 13.1563 TIMING: 4587600 CPU: 14578.6, 0.00319218/step Wall: 14578.6, 0.00319218/step, 0.365682 hours remaining, 239.761719 MB of memory in use. ENERGY: 4587600 4094.6915 20468.3706 14552.8426 225.7543 -203411.8675 2368.2066 0.0000 0.0000 51844.7450 -109857.2568 297.9525 -161702.0018 -109495.4762 299.3206 -68.6140 -34.2336 761162.7630 8.0013 8.0480 PRESSURE: 4587800 164.679 -28.4798 177.328 -28.4799 95.1042 69.7694 177.327 69.7687 141.197 GPRESSURE: 4587800 153.105 59.8166 155.869 -22.6175 133.403 9.94145 214.613 18.1048 183.344 PRESSAVG: 4587800 41.2054 -45.9435 -10.8718 -45.9435 -41.598 -41.871 -10.8718 -41.871 -1.86375 GPRESSAVG: 4587800 41.3325 -44.9592 -10.1402 -44.4236 -41.9048 -43.4505 -11.0811 -42.5217 -1.99725 TIMING: 4587800 CPU: 14579.2, 0.00319465/step Wall: 14579.2, 0.00319465/step, 0.365787 hours remaining, 239.761719 MB of memory in use. ENERGY: 4587800 3988.0982 20650.5411 14516.2688 235.3538 -204039.4703 2604.0569 0.0000 0.0000 52235.9512 -109809.2004 300.2007 -162045.1516 -109446.1601 299.2848 133.6598 156.6174 758695.1648 -0.7521 -0.8565 PRESSURE: 4588000 -228.695 -18.4624 196.054 -18.4623 211.719 58.9165 196.054 58.9167 -44.5387 GPRESSURE: 4588000 -79.5942 88.8257 222.919 -62.7178 231.73 92.7926 69.3108 217.895 -123.982 PRESSAVG: 4588000 68.7551 -33.1428 41.4786 -33.1428 -27.2994 -74.6645 41.4786 -74.6645 -18.669 GPRESSAVG: 4588000 67.3577 -34.3463 42.2631 -34.2689 -26.1325 -72.3857 38.9794 -74.4641 -19.0367 TIMING: 4588000 CPU: 14579.9, 0.00319084/step Wall: 14579.9, 0.00319084/step, 0.365174 hours remaining, 239.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4588000 4028.2189 20568.6313 14439.2390 249.8807 -203790.0183 2432.7209 0.0000 0.0000 52187.3279 -109883.9997 299.9213 -162071.3276 -109528.5720 299.6273 -20.5048 9.3846 757626.1619 7.5956 7.3962 PRESSURE: 4588200 273.892 50.0234 49.7681 50.0227 103.733 -28.223 49.7685 -28.2218 -299.736 GPRESSURE: 4588200 260.336 193.593 91.7673 139.234 133.155 -80.1088 87.5971 -36.8697 -227.888 PRESSAVG: 4588200 33.443 -52.7413 -4.24328 -52.7412 11.2817 23.7874 -4.24332 23.7874 19.7279 GPRESSAVG: 4588200 34.651 -52.092 -4.85688 -54.1692 10.4257 24.4362 -1.9625 24.3518 19.5521 TIMING: 4588200 CPU: 14580.5, 0.00317201/step Wall: 14580.5, 0.00317201/step, 0.362842 hours remaining, 239.761719 MB of memory in use. ENERGY: 4588200 4062.0409 20629.6906 14428.4225 244.6741 -204192.4792 2824.6762 0.0000 0.0000 52042.5520 -109960.4229 299.0893 -162002.9749 -109600.5065 299.1219 25.9630 55.2010 758941.9875 21.4842 21.5430 LDB: ============= START OF LOAD BALANCING ============== 14592.9 LDB: ============== END OF LOAD BALANCING =============== 14592.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14592.9 LDB: ============= START OF LOAD BALANCING ============== 14593.2 LDB: Largest compute 7048 load 0.035405 is 18.1% of average load 0.195998 LDB: Average compute 0.004389 is 2.2% of average load 0.195998 LDB: TIME 14593.2 LOAD: AVG 0.195998 MAX 0.221033 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 14593.2 LOAD: AVG 0.195998 MAX 0.221033 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: TIME 14593.2 LOAD: AVG 0.195998 MAX 0.221033 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: ============== END OF LOAD BALANCING =============== 14593.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14593.2 PRESSURE: 4588400 -273.03 -66.7687 87.2281 -66.7689 85.8906 36.4824 87.2287 36.4831 -136.205 GPRESSURE: 4588400 -245.514 6.99808 -7.95368 22.2063 264.074 70.7177 231.816 -26.3426 -242.717 PRESSAVG: 4588400 42.3894 -31.5011 -17.5528 -31.501 -3.01293 22.1537 -17.5528 22.1537 -9.12644 GPRESSAVG: 4588400 41.1712 -30.412 -16.26 -30.6109 -2.28994 20.5218 -19.0914 23.8961 -8.75625 TIMING: 4588400 CPU: 14581.1, 0.00323707/step Wall: 14581.1, 0.00323707/step, 0.370105 hours remaining, 239.386719 MB of memory in use. ENERGY: 4588400 3977.7529 20458.5861 14340.5855 238.3214 -203439.0911 2522.4584 0.0000 0.0000 51875.0800 -110026.3069 298.1268 -161901.3869 -109653.3266 298.5673 -107.7816 -74.7188 759623.6340 10.0833 10.0417 PRESSURE: 4588600 51.3396 118.124 299.252 118.124 -189.352 -9.92694 299.252 -9.92806 156.612 GPRESSURE: 4588600 212.272 132.677 190.631 80.4193 -182.336 -216.245 217.95 37.9822 100.903 PRESSAVG: 4588600 -29.8291 7.69014 -17.1464 7.69011 -29.3791 12.1008 -17.1464 12.1008 3.758 GPRESSAVG: 4588600 -28.6195 6.62914 -17.8002 8.34753 -30.1637 12.7428 -17.578 10.5812 3.25547 TIMING: 4588600 CPU: 14581.8, 0.00317455/step Wall: 14581.8, 0.00317455/step, 0.362781 hours remaining, 239.386719 MB of memory in use. ENERGY: 4588600 4029.6689 20578.8169 14448.3048 244.3530 -203233.8089 2103.5452 0.0000 0.0000 51845.0011 -109984.1190 297.9539 -161829.1201 -109620.6964 298.3816 6.2001 43.6129 759740.1581 -18.4834 -18.5092 PRESSURE: 4588800 215.36 -17.5575 99.1584 -17.5578 -1.55551 -315.551 99.1587 -315.552 142.025 GPRESSURE: 4588800 158.365 31.6564 138.967 -89.0891 109.629 -245.763 -44.9047 -296.87 191.021 PRESSAVG: 4588800 26.2348 13.2033 9.77701 13.2033 4.83941 15.314 9.77702 15.314 -0.368723 GPRESSAVG: 4588800 26.5222 12.6914 10.1868 13.7553 4.9166 15.433 7.38021 15.1944 -0.525998 TIMING: 4588800 CPU: 14582.4, 0.00325478/step Wall: 14582.4, 0.00325477/step, 0.371768 hours remaining, 239.386719 MB of memory in use. ENERGY: 4588800 3968.9481 20586.2499 14374.9856 254.4874 -203638.9097 2508.9629 0.0000 0.0000 51879.2950 -110065.9808 298.1510 -161945.2758 -109703.5707 298.9520 118.6099 153.0053 759348.5295 10.2352 10.3043 PRESSURE: 4589000 -389.779 -172.38 -128.855 -172.38 -338.157 -23.2236 -128.854 -23.2232 -334.073 GPRESSURE: 4589000 -355.192 -145.305 -158.959 -230.112 -352.867 -5.70205 2.0365 -10.6558 -279.827 PRESSAVG: 4589000 21.5431 24.7858 47.6648 24.7858 23.4363 -6.84947 47.6648 -6.8494 1.94701 GPRESSAVG: 4589000 21.9499 26.7632 46.4823 23.9008 22.5981 -8.08486 50.1969 -6.92829 2.10963 TIMING: 4589000 CPU: 14583.1, 0.00318029/step Wall: 14583.1, 0.00318029/step, 0.363083 hours remaining, 239.386719 MB of memory in use. ENERGY: 4589000 4003.1939 20405.7277 14411.9475 254.2322 -203711.3952 2435.8146 0.0000 0.0000 52139.4810 -110060.9982 299.6463 -162200.4793 -109685.0271 298.5556 -354.0029 -329.2953 759460.1454 15.6422 15.5525 PRESSURE: 4589200 -318.74 118.684 -61.7146 118.684 -538.412 29.7054 -61.7149 29.7043 68.102 GPRESSURE: 4589200 -285.229 90.5441 -109.141 73.142 -544.812 53.5196 -49.4322 -12.0655 104.73 PRESSAVG: 4589200 19.9087 -5.06274 75.5423 -5.06264 -33.8159 0.43114 75.5423 0.431162 -11.1065 GPRESSAVG: 4589200 19.1208 -7.65562 76.6163 -2.59939 -32.8853 1.82681 75.488 -0.553316 -10.8924 TIMING: 4589200 CPU: 14583.7, 0.00318856/step Wall: 14583.7, 0.00318856/step, 0.36385 hours remaining, 239.386719 MB of memory in use. ENERGY: 4589200 4043.4860 20436.7852 14413.6860 258.5311 -203584.1413 2651.8645 0.0000 0.0000 51853.4976 -109926.2908 298.0028 -161779.7885 -109567.2789 298.2769 -263.0168 -241.7706 761815.6496 -8.3379 -8.2190 PRESSURE: 4589400 -299.994 218.461 62.158 218.462 -35.0843 -67.9245 62.1582 -67.9247 308.458 GPRESSURE: 4589400 -152.871 99.0603 82.1988 243.251 -72.6288 -75.9621 130.449 -198.397 275.108 PRESSAVG: 4589400 -9.64713 62.0466 -34.6447 62.0467 -38.0445 -13.6744 -34.6447 -13.6744 -3.4819 GPRESSAVG: 4589400 -10.0545 62.4446 -35.5243 59.2886 -38.3715 -13.4142 -32.6952 -11.7039 -3.00137 TIMING: 4589400 CPU: 14584.3, 0.00318054/step Wall: 14584.3, 0.00318054/step, 0.362758 hours remaining, 239.386719 MB of memory in use. ENERGY: 4589400 4034.5682 20548.4529 14427.2712 228.3372 -203548.5483 2595.6335 0.0000 0.0000 51945.2768 -109769.0086 298.5302 -161714.2854 -109413.0410 298.9939 -8.8732 16.5359 759884.8789 -17.0579 -17.1424 PRESSURE: 4589600 131.864 92.3884 -33.5974 92.3878 -12.0716 -113.031 -33.5972 -113.031 -133.521 GPRESSURE: 4589600 87.8698 62.2774 35.4886 135.922 57.3396 -38.62 -81.133 -139.974 -49.4712 PRESSAVG: 4589600 12.4222 47.9103 16.1573 47.9103 -22.6272 -9.30979 16.1573 -9.30973 8.61478 GPRESSAVG: 4589600 11.9295 48.0447 16.8463 47.3576 -21.3965 -8.48133 15.4428 -11.6147 7.86956 TIMING: 4589600 CPU: 14585, 0.00318152/step Wall: 14585, 0.00318152/step, 0.362694 hours remaining, 239.386719 MB of memory in use. ENERGY: 4589600 3882.4840 20484.7116 14445.6423 238.6109 -203390.3704 2488.4070 0.0000 0.0000 52007.6609 -109842.8536 298.8887 -161850.5146 -109479.9737 298.7747 -4.5764 31.9127 759785.6511 -0.5301 -0.5325 PRESSURE: 4589800 336.412 -143.314 112.682 -143.314 3.99919 304.716 112.682 304.715 -19.6102 GPRESSURE: 4589800 338.483 -204.537 91.7158 -148.577 56.8911 293.597 93.5841 354.271 34.8295 PRESSAVG: 4589800 29.5017 -3.81973 36.1917 -3.81974 -14.8394 47.2072 36.1916 47.2072 -26.9321 GPRESSAVG: 4589800 30.8368 -3.57554 35.9925 -2.75839 -17.1208 45.3855 34.9664 48.6115 -25.1365 TIMING: 4589800 CPU: 14585.6, 0.00317421/step Wall: 14585.6, 0.00317421/step, 0.361683 hours remaining, 239.386719 MB of memory in use. ENERGY: 4589800 3945.4387 20370.4043 14447.3489 218.9698 -203364.6874 2508.7271 0.0000 0.0000 51976.0160 -109897.7825 298.7069 -161873.7985 -109538.4468 298.7183 106.9336 143.4012 759587.9600 -4.0900 -3.8068 PRESSURE: 4590000 15.4367 232.19 38.8504 232.19 -197.112 -25.6018 38.8511 -25.6016 -142.846 GPRESSURE: 4590000 -33.6495 270.692 27.2716 173.346 -45.4645 -51.3263 82.4671 -111.81 -169.561 PRESSAVG: 4590000 14.5916 -28.4158 34.7289 -28.4157 -11.0591 -56.7528 34.7289 -56.7528 15.1126 GPRESSAVG: 4590000 14.9144 -27.6893 33.8451 -30.4135 -9.42155 -55.3455 36.9015 -57.5781 12.8983 TIMING: 4590000 CPU: 14586.2, 0.00318621/step Wall: 14586.2, 0.00318621/step, 0.362874 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4590000 3946.9350 20475.6184 14454.2889 241.2326 -203568.5719 2540.7157 0.0000 0.0000 52042.3874 -109867.3939 299.0883 -161909.7814 -109509.3602 298.6086 -108.1738 -82.8917 760468.3713 6.2151 6.1304 PRESSURE: 4590200 -106.997 -36.928 115.327 -36.9273 80.286 -67.18 115.328 -67.1793 329.398 GPRESSURE: 4590200 -153.666 -1.99226 169.597 27.5713 143.147 -40.0601 104.861 -39.3656 403.582 PRESSAVG: 4590200 -48.1882 -48.5586 14.6693 -48.5586 43.3956 7.16145 14.6693 7.1615 -7.33209 GPRESSAVG: 4590200 -48.5014 -49.5876 14.3834 -47.2642 41.9694 4.61619 14.4707 9.33109 -5.6885 TIMING: 4590200 CPU: 14586.9, 0.00318853/step Wall: 14586.9, 0.00318853/step, 0.362961 hours remaining, 239.386719 MB of memory in use. ENERGY: 4590200 3966.0472 20531.9829 14439.7378 225.3478 -203292.8103 2552.5247 0.0000 0.0000 52026.4395 -109550.7304 298.9967 -161577.1699 -109184.4738 299.3225 100.8956 131.0211 760490.2274 -4.0416 -4.0735 PRESSURE: 4590400 -129.095 -55.7476 209.63 -55.7478 -337.213 97.7036 209.63 97.7031 -166.006 GPRESSURE: 4590400 -158.217 -125.581 277.397 28.32 -250.423 51.6366 129.604 -24.2424 -114.786 PRESSAVG: 4590400 51.5727 -39.9187 44.4037 -39.9186 -34.5948 15.2312 44.4037 15.2312 -6.33534 GPRESSAVG: 4590400 51.3283 -37.066 44.986 -41.6683 -34.2014 17.126 41.6339 14.183 -6.37404 TIMING: 4590400 CPU: 14587.5, 0.00316182/step Wall: 14587.5, 0.00316182/step, 0.359745 hours remaining, 239.386719 MB of memory in use. ENERGY: 4590400 3957.0458 20658.5523 14372.3675 236.2525 -203375.2219 2249.7463 0.0000 0.0000 52192.0971 -109709.1604 299.9487 -161901.2575 -109352.7456 299.6107 -210.7714 -174.4753 761151.8851 3.5475 3.5843 PRESSURE: 4590600 -157.927 -103.948 -264.627 -103.949 97.1342 -140.727 -264.628 -140.725 -53.9437 GPRESSURE: 4590600 -74.3771 -101.238 -226.135 -135.565 147.196 -134.674 -63.2645 -162.807 -69.8213 PRESSAVG: 4590600 -24.3954 7.01392 -11.5842 7.01383 24.0264 -25.5817 -11.5843 -25.5817 -8.21261 GPRESSAVG: 4590600 -24.8969 2.41858 -10.9918 9.04028 23.9402 -25.9811 -9.63401 -25.7411 -7.64305 TIMING: 4590600 CPU: 14588.1, 0.00318029/step Wall: 14588.1, 0.00318029/step, 0.361669 hours remaining, 239.386719 MB of memory in use. ENERGY: 4590600 3969.1296 20470.2029 14501.5624 261.0560 -203476.1525 2594.1023 0.0000 0.0000 52311.7306 -109368.3687 300.6362 -161680.0993 -109001.8182 300.0692 -38.2454 0.9991 761516.9627 -2.8605 -2.8666 PRESSURE: 4590800 333.415 -0.0698148 -32.299 -0.0698729 76.5166 34.2712 -32.2994 34.2711 22.9649 GPRESSURE: 4590800 342.54 36.5699 -93.6228 65.3158 140.863 63.4409 -61.7971 103.45 23.965 PRESSAVG: 4590800 43.0039 -34.2378 54.4684 -34.2378 -49.2754 -41.1959 54.4683 -41.1959 -10.5056 GPRESSAVG: 4590800 43.8751 -33.4601 54.0569 -34.0147 -48.9775 -41.1591 54.283 -40.059 -12.0302 TIMING: 4590800 CPU: 14588.8, 0.00319374/step Wall: 14588.8, 0.00319374/step, 0.363021 hours remaining, 239.386719 MB of memory in use. ENERGY: 4590800 4025.5963 20540.8468 14514.7927 222.6365 -203493.5940 2641.2832 0.0000 0.0000 52174.6034 -109373.8350 299.8482 -161548.4384 -109015.1909 300.0337 144.2987 169.1226 760204.9183 -5.5924 -5.7109 PRESSURE: 4591000 -60.3204 4.14355 -95.4176 4.14394 -91.9165 101.411 -95.4167 101.411 108.47 GPRESSURE: 4591000 -11.3223 79.45 -112.524 -4.93793 -61.8413 27.5939 -32.5289 58.4711 114.67 PRESSAVG: 4591000 34.318 -19.5954 39.9438 -19.5953 -25.6544 -3.53682 39.9438 -3.53672 -17.8029 GPRESSAVG: 4591000 32.269 -19.2136 39.0327 -19.0021 -24.8737 -3.29142 42.5524 -5.03239 -16.5874 TIMING: 4591000 CPU: 14589.4, 0.00316958/step Wall: 14589.4, 0.00316958/step, 0.3601 hours remaining, 239.386719 MB of memory in use. ENERGY: 4591000 3992.5838 20444.0501 14476.3945 241.4795 -203383.5518 2442.5604 0.0000 0.0000 52358.9934 -109427.4902 300.9079 -161786.4836 -109051.3145 299.8609 -14.5890 13.8355 758695.1736 -3.0464 -3.0641 PRESSURE: 4591200 -222.583 12.1824 1.40882 12.1821 145.712 -0.342005 1.40961 -0.343027 -275.403 GPRESSURE: 4591200 -94.8113 30.5346 -16.2731 -53.459 92.1901 106.842 71.6464 12.4516 -268.108 PRESSAVG: 4591200 18.7835 -23.5997 -41.0528 -23.5997 3.15398 -5.43021 -41.0527 -5.43018 -6.02647 GPRESSAVG: 4591200 21.3029 -24.8726 -41.2399 -23.8163 1.54567 -4.00951 -43.3251 -6.19339 -7.44261 TIMING: 4591200 CPU: 14590, 0.00315379/step Wall: 14590, 0.00315379/step, 0.35813 hours remaining, 239.386719 MB of memory in use. ENERGY: 4591200 4056.0067 20640.0265 14473.0003 244.8046 -203579.2256 2656.5552 0.0000 0.0000 52270.2040 -109238.6284 300.3976 -161508.8324 -108877.4414 300.3648 -117.4247 -90.2432 758773.7416 5.3037 5.1353 PRESSURE: 4591400 -43.2532 -134.993 -106.425 -134.993 21.3337 120.904 -106.425 120.905 66.8253 GPRESSURE: 4591400 -122.399 -65.0417 -98.2556 -166.701 102.31 88.2855 -118.623 -22.3297 162.651 PRESSAVG: 4591400 -7.70208 -64.1953 -29.2733 -64.1954 -14.4494 -3.06865 -29.2733 -3.06858 9.94291 GPRESSAVG: 4591400 -9.55254 -62.1416 -28.9099 -66.3717 -13.6293 -4.80185 -30.1528 -3.00554 11.3912 TIMING: 4591400 CPU: 14590.7, 0.00316527/step Wall: 14590.7, 0.00316527/step, 0.359259 hours remaining, 239.386719 MB of memory in use. ENERGY: 4591400 3919.8796 20550.7037 14441.3491 261.2975 -203134.2550 2498.5574 0.0000 0.0000 52010.9061 -109451.5616 298.9074 -161462.4676 -109100.7167 299.6015 14.9686 47.5205 762500.1183 -4.0695 -3.9302 PRESSURE: 4591600 99.1409 -171.566 155.673 -171.567 239.078 9.93596 155.673 9.93683 479.899 GPRESSURE: 4591600 194.776 -146.234 191.001 -182.996 325.204 -12.8648 126.991 98.1849 394.208 PRESSAVG: 4591600 15.0048 -20.1452 -7.75517 -20.1452 -2.36551 -24.8106 -7.75522 -24.8106 15.0577 GPRESSAVG: 4591600 15.5562 -20.814 -8.02083 -19.6574 -2.14617 -24.7212 -7.41542 -25.2026 14.3561 TIMING: 4591600 CPU: 14591.3, 0.00316074/step Wall: 14591.3, 0.00316074/step, 0.358569 hours remaining, 239.386719 MB of memory in use. ENERGY: 4591600 4011.0611 20459.6974 14427.0506 234.1753 -203500.6605 2757.0183 0.0000 0.0000 52480.7904 -109130.8673 301.6078 -161611.6577 -108765.4125 299.7200 272.7059 304.7291 760173.2550 9.2323 9.2554 PRESSURE: 4591800 162.906 -163.219 -289.365 -163.218 139.654 48.1841 -289.365 48.1839 237.884 GPRESSURE: 4591800 213.388 -125.22 -321.871 -75.185 72.1015 18.409 -337.279 179.959 339.121 PRESSAVG: 4591800 33.4191 -37.2599 42.3354 -37.2599 -43.7316 -54.8298 42.3355 -54.8299 11.2447 GPRESSAVG: 4591800 33.514 -37.4461 43.1362 -37.0775 -44.6587 -55.1376 43.5647 -56.1883 12.0625 TIMING: 4591800 CPU: 14591.9, 0.00317301/step Wall: 14591.9, 0.00317301/step, 0.359785 hours remaining, 239.386719 MB of memory in use. ENERGY: 4591800 4032.0870 20569.8737 14453.4235 252.5563 -203396.0712 2798.3752 0.0000 0.0000 52299.1934 -108990.5620 300.5642 -161289.7554 -108624.7573 300.0752 180.1479 208.2037 761832.6211 0.3107 0.3059 PRESSURE: 4592000 75.4655 23.3627 -48.4708 23.3632 101.655 -199.077 -48.4711 -199.077 -380.685 GPRESSURE: 4592000 80.6267 148.214 -41.8857 -42.9511 210.866 -121.768 -124.528 -186.569 -418.54 PRESSAVG: 4592000 -6.49684 -47.021 11.7702 -47.021 -27.2754 -20.046 11.7702 -20.0459 -18.672 GPRESSAVG: 4592000 -6.35985 -46.1881 14.0671 -47.241 -25.3025 -21.0535 9.41837 -18.9873 -20.6314 TIMING: 4592000 CPU: 14592.6, 0.00317688/step Wall: 14592.6, 0.00317688/step, 0.360047 hours remaining, 239.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4592000 4009.7453 20522.2441 14451.4824 232.3310 -203285.8155 2451.5766 0.0000 0.0000 52269.0762 -109349.3599 300.3911 -161618.4361 -108985.7006 299.8993 -67.8547 -42.3489 762549.8383 -17.4814 -17.4313 PRESSURE: 4592200 -165.621 -85.4222 48.073 -85.422 197.014 -279.603 48.0731 -279.604 29.3694 GPRESSURE: 4592200 -113.413 -32.9826 28.6889 -82.9716 234.255 -240.605 -9.49609 -304.276 26.8026 PRESSAVG: 4592200 11.3028 -29.1244 0.203015 -29.1243 60.2278 -53.8545 0.203062 -53.8544 4.11234 GPRESSAVG: 4592200 10.8068 -30.0233 -1.77339 -29.1817 58.5521 -52.5357 1.50515 -51.6881 6.29544 TIMING: 4592200 CPU: 14593.2, 0.00322591/step Wall: 14593.2, 0.00322591/step, 0.365424 hours remaining, 239.386719 MB of memory in use. ENERGY: 4592200 3972.2895 20522.9487 14407.2001 244.9331 -203376.5100 2748.2329 0.0000 0.0000 52168.5441 -109312.3617 299.8133 -161480.9057 -108956.3704 299.7670 20.2541 49.2148 762973.0627 25.2143 25.2181 LDB: ============= START OF LOAD BALANCING ============== 14605.6 LDB: ============== END OF LOAD BALANCING =============== 14605.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14605.6 LDB: ============= START OF LOAD BALANCING ============== 14605.9 LDB: Largest compute 7048 load 0.035635 is 18.2% of average load 0.195934 LDB: Average compute 0.004408 is 2.2% of average load 0.195934 LDB: TIME 14606 LOAD: AVG 0.195934 MAX 0.219969 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 14606 LOAD: AVG 0.195934 MAX 0.219969 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: TIME 14606 LOAD: AVG 0.195934 MAX 0.219969 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14606 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14606 PRESSURE: 4592400 148.79 187.875 375.542 187.875 214.406 -60.5136 375.542 -60.5141 203.64 GPRESSURE: 4592400 167.727 195.503 413.135 56.949 298.807 -61.2149 358.97 -119.696 200.711 PRESSAVG: 4592400 39.0084 25.3406 17.1507 25.3406 -21.5709 -48.5698 17.1507 -48.5698 -14.4569 GPRESSAVG: 4592400 37.9097 24.8842 17.3254 25.8418 -19.6826 -48.8161 17.0909 -48.6 -15.3311 TIMING: 4592400 CPU: 14593.9, 0.00324489/step Wall: 14593.9, 0.00324489/step, 0.367394 hours remaining, 237.843750 MB of memory in use. ENERGY: 4592400 4024.0358 20510.5804 14417.5528 235.6847 -203394.0849 2595.0093 0.0000 0.0000 52104.6327 -109506.5892 299.4460 -161611.2219 -109151.5063 299.3263 188.9454 222.4152 760672.2672 0.9935 0.9654 PRESSURE: 4592600 139.133 -81.4594 -27.6038 -81.4594 -57.677 -30.3053 -27.6031 -30.3056 384.625 GPRESSURE: 4592600 184.269 20.6656 -1.49523 -2.35661 -14.9322 21.3957 10.3836 -135.264 357.323 PRESSAVG: 4592600 27.7218 -76.5513 35.9082 -76.5513 17.7648 -27.6157 35.9081 -27.6158 10.1237 GPRESSAVG: 4592600 29.1791 -76.6803 36.0991 -75.2804 17.5709 -27.1387 37.5838 -29.7882 8.7042 TIMING: 4592600 CPU: 14594.5, 0.00316949/step Wall: 14594.5, 0.00316949/step, 0.358681 hours remaining, 237.843750 MB of memory in use. ENERGY: 4592600 4093.9675 20549.3525 14404.4634 265.9495 -203256.5201 2449.4129 0.0000 0.0000 52149.2542 -109344.1201 299.7025 -161493.3743 -108996.7472 299.7851 155.3606 175.5530 761667.2677 18.5368 18.4847 PRESSURE: 4592800 -485.339 18.0464 152.992 18.0461 -105.591 142.128 152.992 142.127 -228.837 GPRESSURE: 4592800 -390.687 40.5755 80.9831 31.5529 -157.072 194.211 221.368 158.312 -188.179 PRESSAVG: 4592800 -57.4385 -22.7817 80.9716 -22.7818 -8.23331 9.53828 80.9717 9.53826 -9.14299 GPRESSAVG: 4592800 -57.5166 -24.1269 81.8675 -23.3224 -9.67808 9.99193 78.7695 10.2174 -7.95839 TIMING: 4592800 CPU: 14595.1, 0.00316963/step Wall: 14595.1, 0.00316963/step, 0.35852 hours remaining, 237.843750 MB of memory in use. ENERGY: 4592800 4015.8317 20383.6867 14562.5983 231.6222 -203678.2246 2708.6005 0.0000 0.0000 52138.5259 -109637.3592 299.6408 -161775.8851 -109260.5389 299.5433 -273.2556 -245.3124 761503.3418 -24.9383 -25.0510 PRESSURE: 4593000 193.19 -43.5886 283.316 -43.5887 -182.56 -60.5317 283.316 -60.5318 -268.736 GPRESSURE: 4593000 174.902 -42.8638 289.18 -108.506 -91.9961 -63.7591 221.382 -38.9683 -248.167 PRESSAVG: 4593000 -20.7827 -2.71234 50.6275 -2.71232 -31.4114 3.32697 50.6275 3.3269 -0.988525 GPRESSAVG: 4593000 -20.8416 -0.593835 49.4289 -3.2589 -31.0286 2.87541 52.742 3.01589 -0.476103 TIMING: 4593000 CPU: 14595.8, 0.00317685/step Wall: 14595.8, 0.00317685/step, 0.359161 hours remaining, 237.843750 MB of memory in use. ENERGY: 4593000 4027.2991 20631.5591 14443.5424 229.0454 -203311.0231 2438.5823 0.0000 0.0000 51918.6213 -109622.3735 298.3770 -161540.9947 -109263.7454 299.4581 -86.0356 -55.0870 762020.7418 -17.7275 -17.4488 PRESSURE: 4593200 -230.521 -97.3973 -166.873 -97.3978 53.5591 -270.85 -166.874 -270.849 76.0665 GPRESSURE: 4593200 -129.832 -126.626 -175.517 -148.07 46.7198 -292.446 -128.214 -240.389 36.0219 PRESSAVG: 4593200 -53.8338 -31.0876 30.8985 -31.0876 61.9267 1.96642 30.8985 1.96654 -28.7079 GPRESSAVG: 4593200 -52.1893 -31.9584 31.8107 -28.7376 60.5026 2.61358 30.3945 1.74068 -29.4158 TIMING: 4593200 CPU: 14596.4, 0.00316856/step Wall: 14596.4, 0.00316856/step, 0.358047 hours remaining, 237.843750 MB of memory in use. ENERGY: 4593200 3960.7092 20525.4733 14473.9791 260.9911 -203758.9206 2570.2046 0.0000 0.0000 52437.8978 -109529.6654 301.3613 -161967.5633 -109156.4013 299.3630 -33.6319 -15.6966 759229.2934 -6.8717 -7.0342 PRESSURE: 4593400 -235.428 -70.2197 -158.986 -70.2187 43.0895 36.3804 -158.985 36.3804 -49.9762 GPRESSURE: 4593400 -298.366 -88.9823 -176.485 -98.6796 100.099 27.1455 -51.2253 149.25 14.3864 PRESSAVG: 4593400 -36.1714 -66.81 2.81206 -66.81 76.6588 -6.80905 2.81209 -6.80894 8.46359 GPRESSAVG: 4593400 -38.9864 -64.8532 2.63014 -68.3949 78.9214 -7.71538 3.44804 -6.83306 8.80225 TIMING: 4593400 CPU: 14597, 0.00317178/step Wall: 14597, 0.00317178/step, 0.358235 hours remaining, 237.843750 MB of memory in use. ENERGY: 4593400 3865.5248 20704.4732 14450.6715 235.1812 -202743.7152 2052.9057 0.0000 0.0000 51827.9381 -109607.0209 297.8559 -161434.9589 -109240.4364 299.6091 -80.7717 -61.2935 761819.8791 16.3170 16.2458 PRESSURE: 4593600 128.807 -262.908 106.177 -262.908 -84.3389 -11.2818 106.178 -11.2816 175.611 GPRESSURE: 4593600 153.69 -173.115 78.4791 -278.602 22.8592 25.2779 -41.5526 -38.0023 154.623 PRESSAVG: 4593600 -44.7904 -41.6377 26.5923 -41.6376 51.208 -43.2613 26.5922 -43.2613 -17.5347 GPRESSAVG: 4593600 -43.8069 -43.2425 26.3975 -41.5173 50.4475 -43.0703 25.4395 -43.4806 -17.9098 TIMING: 4593600 CPU: 14597.7, 0.00316443/step Wall: 14597.7, 0.00316444/step, 0.35723 hours remaining, 237.843750 MB of memory in use. ENERGY: 4593600 3981.6968 20456.0585 14420.8393 243.8283 -203602.8358 2499.4971 0.0000 0.0000 52306.6147 -109694.3011 300.6068 -162000.9158 -109329.1165 298.9136 73.3597 110.3908 760673.8151 -3.7057 -3.7564 PRESSURE: 4593800 49.5742 -319.439 15.9943 -319.439 74.393 56.365 15.9939 56.3651 -437.76 GPRESSURE: 4593800 141.68 -176.543 46.1094 -324.25 79.7616 -69.9661 134.525 92.3523 -443.586 PRESSAVG: 4593800 15.326 -52.0042 8.57849 -52.0043 -23.9347 -66.4099 8.57848 -66.4098 4.45231 GPRESSAVG: 4593800 16.9285 -50.5583 8.10595 -54.2593 -26.5626 -66.293 8.40394 -65.3818 5.50624 TIMING: 4593800 CPU: 14598.3, 0.0031859/step Wall: 14598.3, 0.0031859/step, 0.359476 hours remaining, 237.843750 MB of memory in use. ENERGY: 4593800 3944.6336 20591.6110 14433.7740 257.0682 -203107.7014 2155.3760 0.0000 0.0000 52053.7089 -109671.5299 299.1534 -161725.2388 -109307.6043 299.0696 -104.5975 -74.0481 760767.8960 -1.3855 -1.3760 PRESSURE: 4594000 209.543 -63.3657 -12.0274 -63.3662 116.778 -13.0748 -12.0276 -13.0755 106.581 GPRESSURE: 4594000 158.787 -47.896 -5.12799 -60.1904 209.921 -61.5924 29.3241 -153.174 153.422 PRESSAVG: 4594000 66.0439 -29.2629 37.7066 -29.2629 -38.01 8.85166 37.7066 8.85168 19.1228 GPRESSAVG: 4594000 64.4358 -30.7189 38.023 -25.4699 -35.49 8.68801 39.0147 8.8502 18.1385 TIMING: 4594000 CPU: 14599, 0.00318308/step Wall: 14599, 0.00318308/step, 0.358981 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4594000 3960.2430 20691.5822 14375.8858 264.0075 -203290.4632 2331.6295 0.0000 0.0000 52022.7913 -109644.3238 298.9757 -161667.1151 -109290.0615 299.0456 144.3006 174.0433 760160.9665 15.7189 15.6948 PRESSURE: 4594200 -92.1865 4.77124 279.558 4.77149 -291.07 195.526 279.558 195.526 87.8233 GPRESSURE: 4594200 -74.4853 -64.1488 187.092 53.0907 -249.439 188.253 294.158 194.869 102.135 PRESSAVG: 4594200 -27.7403 -33.3643 -4.1528 -33.3642 4.67357 9.2459 -4.15276 9.24586 25.7967 GPRESSAVG: 4594200 -27.0833 -33.3499 -4.63222 -35.7359 3.132 8.59434 -5.28644 9.24458 26.5126 TIMING: 4594200 CPU: 14599.6, 0.00320042/step Wall: 14599.6, 0.00320043/step, 0.360759 hours remaining, 237.843750 MB of memory in use. ENERGY: 4594200 3940.1162 20572.1451 14452.8844 242.5420 -202513.1381 1860.0650 0.0000 0.0000 51844.8856 -109600.4997 297.9533 -161445.3854 -109234.3956 298.8274 -98.4777 -73.9298 762241.3760 0.9100 0.8538 PRESSURE: 4594400 241.853 169.991 201.883 169.992 -105.828 134.075 201.883 134.075 -170.755 GPRESSURE: 4594400 197.318 268.916 167.641 114.14 -113.86 167.731 144.482 157.768 -34.2795 PRESSAVG: 4594400 -12.0477 -3.8049 17.6606 -3.80492 -7.05115 27.7393 17.6607 27.7393 11.5054 GPRESSAVG: 4594400 -12.8302 -3.17557 16.263 -2.95088 -6.85198 28.3179 18.9104 29.3897 11.9118 TIMING: 4594400 CPU: 14600.2, 0.0031896/step Wall: 14600.2, 0.0031896/step, 0.359362 hours remaining, 237.843750 MB of memory in use. ENERGY: 4594400 4027.5629 20544.9962 14402.4644 242.0529 -203182.0411 2442.6348 0.0000 0.0000 51901.2537 -109621.0761 298.2772 -161522.3299 -109259.5602 298.6547 -11.5769 16.3928 760398.5765 -2.5311 -2.5901 PRESSURE: 4594600 -56.7521 -415.117 31.5016 -415.117 53.9206 -5.83914 31.5017 -5.83816 -148.464 GPRESSURE: 4594600 93.5531 -364.953 -46.0176 -382.31 -15.3613 27.3973 88.8577 -116.266 -128.974 PRESSAVG: 4594600 20.0313 -10.3842 70.4897 -10.3842 7.00942 -41.6783 70.4897 -41.6782 -11.2247 GPRESSAVG: 4594600 20.9699 -9.94721 72.4515 -11.6005 6.13427 -42.4995 70.4559 -41.9983 -11.0404 TIMING: 4594600 CPU: 14600.9, 0.00317605/step Wall: 14600.9, 0.00317606/step, 0.357659 hours remaining, 237.843750 MB of memory in use. ENERGY: 4594600 3951.9193 20400.0445 14420.7203 250.3231 -203135.9102 2480.2033 0.0000 0.0000 51874.5074 -109758.1923 298.1235 -161632.6997 -109391.3773 298.9828 -50.4319 -16.9273 760405.8497 5.2720 5.3546 PRESSURE: 4594800 -279.12 83.3411 -21.9683 83.342 -116.178 -220.705 -21.968 -220.704 -482.007 GPRESSURE: 4594800 -246.288 184.939 -111.852 51.6577 -139.913 -188.723 -21.863 -373.742 -408.641 PRESSAVG: 4594800 -10.7506 11.1482 25.3375 11.1481 -3.82382 -23.2253 25.3375 -23.2254 12.8207 GPRESSAVG: 4594800 -10.0149 12.1181 23.5696 12.0536 -3.72423 -23.0932 25.8898 -24.8038 11.6948 TIMING: 4594800 CPU: 14601.5, 0.00316856/step Wall: 14601.5, 0.00316856/step, 0.356639 hours remaining, 237.843750 MB of memory in use. ENERGY: 4594800 4022.4863 20477.6948 14410.4524 239.6424 -202756.2160 2086.8915 0.0000 0.0000 51892.0490 -109626.9996 298.2243 -161519.0486 -109271.0597 299.0508 -292.4350 -264.9470 761223.7895 -0.5846 -0.6814 PRESSURE: 4595000 -31.7783 -321.466 62.2275 -321.467 -353.031 65.2088 62.2272 65.2091 133.172 GPRESSURE: 4595000 -83.283 -211.623 86.1914 -191.681 -317.813 15.4509 -68.745 222.728 221.643 PRESSAVG: 4595000 -20.1943 -63.4079 7.65176 -63.4079 -30.1839 -4.83475 7.65171 -4.8348 -2.68861 GPRESSAVG: 4595000 -21.4197 -63.0551 8.93336 -62.9906 -29.9743 -2.90987 5.00883 -4.70116 -2.18173 TIMING: 4595000 CPU: 14602.1, 0.00315251/step Wall: 14602.1, 0.00315251/step, 0.354657 hours remaining, 237.843750 MB of memory in use. ENERGY: 4595000 4008.9471 20473.4248 14412.7188 245.1994 -203177.5294 2419.8499 0.0000 0.0000 51952.2762 -109665.1132 298.5704 -161617.3894 -109310.0304 298.8331 -83.8791 -59.8176 760811.8442 -17.6889 -17.8586 PRESSURE: 4595200 -447.955 -79.9951 86.8923 -79.9961 201.975 -30.3995 86.8927 -30.3994 -21.5998 GPRESSURE: 4595200 -433.598 -164.87 17.1578 -109.073 306.594 -45.1355 104.522 -46.2344 -48.3493 PRESSAVG: 4595200 5.36374 -43.7957 0.70445 -43.7957 21.732 -25.365 0.704537 -25.365 13.4412 GPRESSAVG: 4595200 6.94742 -45.7627 -0.660072 -43.8184 21.9323 -27.3524 1.88804 -25.1594 11.8335 TIMING: 4595200 CPU: 14602.8, 0.00318095/step Wall: 14602.8, 0.00318095/step, 0.35768 hours remaining, 237.843750 MB of memory in use. ENERGY: 4595200 3995.9703 20551.9219 14410.1244 241.9167 -202662.8368 2167.8674 0.0000 0.0000 51641.6969 -109653.3390 296.7855 -161295.0360 -109298.2877 298.8482 -89.1933 -58.4513 760210.2769 13.5123 13.5711 PRESSURE: 4595400 173.448 -154.559 -71.8103 -154.558 238.596 55.9137 -71.8101 55.9149 -334.301 GPRESSURE: 4595400 207.017 -189.412 19.3129 -153.572 204.146 34.5223 -34.9533 121.259 -236.431 PRESSAVG: 4595400 1.87363 -41.168 19.0123 -41.168 26.2166 25.2209 19.0123 25.221 -7.57221 GPRESSAVG: 4595400 -0.544461 -41.2858 19.1165 -41.1371 26.9987 24.8359 18.9137 26.6221 -5.95322 TIMING: 4595400 CPU: 14603.4, 0.00316551/step Wall: 14603.4, 0.00316551/step, 0.355768 hours remaining, 237.843750 MB of memory in use. ENERGY: 4595400 3929.9714 20561.0954 14384.3645 257.2084 -202988.6756 2294.8496 0.0000 0.0000 51991.8099 -109569.3764 298.7976 -161561.1863 -109209.6349 298.7900 25.9140 58.2440 759742.2842 6.8393 6.8337 PRESSURE: 4595600 20.4654 21.9924 48.4924 21.9915 -107.06 -9.7118 48.4921 -9.71245 -291.315 GPRESSURE: 4595600 -53.0613 37.6043 10.062 76.7607 -64.056 39.7637 183.809 -119.543 -189.851 PRESSAVG: 4595600 0.628759 0.943278 29.7942 0.943289 -3.97395 30.3522 29.7942 30.3522 10.0512 GPRESSAVG: 4595600 1.37989 1.21975 29.4604 1.2004 -4.37653 30.2269 30.792 31.2382 9.69577 TIMING: 4595600 CPU: 14604, 0.00316708/step Wall: 14604, 0.00316708/step, 0.355768 hours remaining, 237.843750 MB of memory in use. ENERGY: 4595600 3931.5794 20434.0596 14448.4646 234.3040 -203074.6646 2280.7638 0.0000 0.0000 52269.9926 -109475.5007 300.3964 -161745.4933 -109111.0093 299.6037 -125.9697 -102.3229 759576.7026 2.2353 2.2330 PRESSURE: 4595800 -259.886 -94.9706 270.137 -94.9717 -173.844 -220.396 270.137 -220.395 21.2505 GPRESSURE: 4595800 -236.41 24.7965 273.39 -149.245 -141.243 -289.502 278.244 -36.3374 49.9534 PRESSAVG: 4595800 -11.9407 12.4642 7.46035 12.4641 -5.9702 50.2945 7.46036 50.2945 -4.61678 GPRESSAVG: 4595800 -12.2406 14.6351 9.56486 10.659 -5.88944 50.0228 6.99071 50.3212 -4.63204 TIMING: 4595800 CPU: 14604.7, 0.00318016/step Wall: 14604.7, 0.00318016/step, 0.357061 hours remaining, 237.843750 MB of memory in use. ENERGY: 4595800 3986.3022 20538.7776 14469.7825 230.4755 -203028.3027 2487.5233 0.0000 0.0000 51760.1690 -109555.2727 297.4664 -161315.4416 -109201.1256 298.7413 -137.4934 -109.2330 761816.7415 -7.5092 -7.5874 PRESSURE: 4596000 54.844 -136.839 -87.6238 -136.839 -79.4741 -97.0893 -87.6237 -97.0901 -30.3497 GPRESSURE: 4596000 101.625 -173.797 -69.1752 -31.3143 7.62769 -218.369 -59.6527 26.3319 -82.2086 PRESSAVG: 4596000 30.0487 -8.25137 23.2566 -8.25138 3.87125 50.0494 23.2566 50.0493 -11.877 GPRESSAVG: 4596000 29.5661 -12.1025 21.7108 -6.25627 4.67509 52.2769 22.8195 48.7444 -11.6449 TIMING: 4596000 CPU: 14605.3, 0.00318535/step Wall: 14605.3, 0.00318535/step, 0.357467 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4596000 3948.7659 20450.0302 14427.3984 256.7949 -203517.6247 2535.9222 0.0000 0.0000 52323.7798 -109574.9333 300.7055 -161898.7131 -109200.4749 299.6548 -18.3266 9.0148 759853.6469 7.3477 7.5321 PRESSURE: 4596200 -236.84 -237.48 230.225 -237.479 5.58062 -70.9434 230.225 -70.9424 -61.5946 GPRESSURE: 4596200 -271.553 -264.623 255.079 -287.016 91.225 -70.0365 95.3142 76.008 -35.2397 PRESSAVG: 4596200 -39.0063 -50.4939 -40.4397 -50.4939 47.0438 16.0891 -40.4397 16.0891 -24.2042 GPRESSAVG: 4596200 -38.1908 -48.3163 -39.5004 -51.7425 47.0824 15.6177 -40.1795 14.6408 -24.1537 TIMING: 4596200 CPU: 14605.9, 0.0031429/step Wall: 14605.9, 0.0031429/step, 0.352529 hours remaining, 237.843750 MB of memory in use. ENERGY: 4596200 4069.6789 20504.3399 14403.3502 242.7216 -203450.3061 2620.8061 0.0000 0.0000 52188.3074 -109421.1020 299.9269 -161609.4094 -109051.9697 299.5185 -97.6182 -71.8560 761416.1953 -5.3889 -5.0874 LDB: ============= START OF LOAD BALANCING ============== 14618.3 LDB: ============== END OF LOAD BALANCING =============== 14618.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14618.3 LDB: ============= START OF LOAD BALANCING ============== 14618.6 LDB: Largest compute 7058 load 0.036432 is 18.6% of average load 0.195897 LDB: Average compute 0.004378 is 2.2% of average load 0.195897 LDB: TIME 14618.7 LOAD: AVG 0.195897 MAX 0.221259 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 14618.7 LOAD: AVG 0.195897 MAX 0.221259 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.539 MB LDB: TIME 14618.7 LOAD: AVG 0.195897 MAX 0.221259 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14618.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14618.7 PRESSURE: 4596400 -74.9187 27.7189 57.0002 27.718 -115.313 196.266 57.0002 196.267 251.654 GPRESSURE: 4596400 -21.1505 45.2588 -1.77744 -91.6288 -101.2 114.57 78.6316 228.285 264.874 PRESSAVG: 4596400 -11.9722 -58.2434 -17.5609 -58.2435 26.2891 24.5808 -17.5609 24.5808 6.59963 GPRESSAVG: 4596400 -11.3652 -59.5354 -18.6343 -58.8752 25.497 23.388 -18.0171 25.9846 6.57239 TIMING: 4596400 CPU: 14606.6, 0.00320739/step Wall: 14606.6, 0.00320739/step, 0.359584 hours remaining, 238.613281 MB of memory in use. ENERGY: 4596400 4012.5495 20633.6252 14412.2244 251.5052 -203045.7653 2348.2150 0.0000 0.0000 51833.3388 -109554.3071 297.8869 -161387.6460 -109193.7702 299.6325 20.4740 47.5078 761686.8140 6.9722 6.9014 PRESSURE: 4596600 0.936567 -60.0337 -183.727 -60.0334 158.927 -29.7792 -183.726 -29.7792 234.739 GPRESSURE: 4596600 107.791 -54.92 -190.949 -29.088 232.854 -23.7408 -156.919 35.7374 157.155 PRESSAVG: 4596600 17.685 -75.8543 -0.812385 -75.8544 11.1698 22.889 -0.812386 22.889 -16.1389 GPRESSAVG: 4596600 18.2179 -75.2724 0.804051 -75.2922 10.8433 24.1417 1.51516 21.2208 -15.925 TIMING: 4596600 CPU: 14607.2, 0.0031399/step Wall: 14607.2, 0.0031399/step, 0.351844 hours remaining, 238.613281 MB of memory in use. ENERGY: 4596600 3998.8562 20566.1894 14315.5569 254.8840 -203679.3987 2797.8700 0.0000 0.0000 52139.8835 -109606.1587 299.6486 -161746.0422 -109236.7431 299.2896 131.5341 165.9332 760275.1875 4.2386 4.3787 PRESSURE: 4596800 -367.487 8.01026 -143.703 8.0105 -199.596 119.625 -143.703 119.626 -328.741 GPRESSURE: 4596800 -347.328 -97.831 -122.546 20.0923 -241.299 136.454 -168.823 158.407 -222.937 PRESSAVG: 4596800 -25.6471 -52.2947 -10.1434 -52.2947 -6.42645 -0.360369 -10.1435 -0.360378 -6.93124 GPRESSAVG: 4596800 -25.6049 -52.2666 -9.67545 -52.6922 -5.87927 -0.643342 -11.7612 1.42476 -7.51264 TIMING: 4596800 CPU: 14607.8, 0.00314447/step Wall: 14607.8, 0.00314447/step, 0.352181 hours remaining, 238.613281 MB of memory in use. ENERGY: 4596800 4000.6922 20596.9204 14394.6005 234.6769 -202725.8479 1943.6771 0.0000 0.0000 51955.0756 -109600.2052 298.5865 -161555.2808 -109232.2301 298.7145 -298.6077 -270.5213 762108.5567 -13.0016 -12.9989 PRESSURE: 4597000 -120.523 -141.895 -294.272 -141.896 121.807 116.63 -294.272 116.63 279.477 GPRESSURE: 4597000 -39.4874 -140.634 -330.513 -183.123 153.488 116.252 -276.272 194.282 266.608 PRESSAVG: 4597000 24.7797 -50.9853 -12.0527 -50.9853 24.702 -6.15036 -12.0527 -6.15038 -9.29553 GPRESSAVG: 4597000 24.53 -51.5251 -12.3226 -49.8507 25.9359 -5.36652 -13.7342 -6.46399 -9.50201 TIMING: 4597000 CPU: 14608.5, 0.00318521/step Wall: 14608.5, 0.00318521/step, 0.356567 hours remaining, 238.613281 MB of memory in use. ENERGY: 4597000 3943.7150 20605.7576 14410.5518 232.4989 -203618.3895 2793.6296 0.0000 0.0000 51977.8999 -109654.3368 298.7177 -161632.2366 -109297.6613 298.9817 93.5871 126.8693 761340.7129 13.3954 13.6546 PRESSURE: 4597200 102.118 1.21504 -142.326 1.21489 146.796 6.83663 -142.326 6.8363 159.775 GPRESSURE: 4597200 189.628 28.4266 -177.669 -18.843 133.886 -74.3439 -103.741 -28.2888 167.244 PRESSAVG: 4597200 -11.7281 -11.2188 -53.4083 -11.2189 -10.8441 23.558 -53.4083 23.5581 8.3093 GPRESSAVG: 4597200 -11.0298 -9.41604 -53.7529 -12.0182 -12.1803 21.6426 -50.866 22.6265 8.93776 TIMING: 4597200 CPU: 14609.1, 0.00317546/step Wall: 14609.1, 0.00317546/step, 0.355298 hours remaining, 238.613281 MB of memory in use. ENERGY: 4597200 3987.1845 20565.0888 14473.4560 225.0446 -203601.7304 2637.0255 0.0000 0.0000 52218.3689 -109495.5622 300.0997 -161713.9311 -109123.5989 299.1811 136.2297 163.5858 760174.5346 -4.7543 -4.7574 PRESSURE: 4597400 59.2036 -46.137 25.7038 -46.1369 -397.97 -173.277 25.7032 -173.277 -20.6128 GPRESSURE: 4597400 66.8185 -132.384 32.8718 -17.0549 -316.378 -181.979 -27.5448 -68.4406 -13.4214 PRESSAVG: 4597400 -26.6851 -64.1436 9.75935 -64.1435 20.9442 0.621585 9.75935 0.621582 17.8507 GPRESSAVG: 4597400 -25.8138 -66.7251 9.17726 -65.5941 21.7273 1.17161 8.57171 1.33684 16.8923 TIMING: 4597400 CPU: 14609.7, 0.00319064/step Wall: 14609.7, 0.00319064/step, 0.35682 hours remaining, 238.613281 MB of memory in use. ENERGY: 4597400 3984.7397 20529.3100 14459.9590 230.7158 -203135.7704 2235.7892 0.0000 0.0000 52188.6847 -109506.5719 299.9291 -161695.2566 -109142.2180 299.6686 -119.7931 -87.6602 760459.8253 4.0366 4.2686 PRESSURE: 4597600 -38.0685 -24.2171 53.7603 -24.2178 -533.417 99.0196 53.76 99.0196 -180.995 GPRESSURE: 4597600 -34.5499 -46.1219 49.1413 97.4066 -553.371 102.755 -28.5804 81.2005 -94.1418 PRESSAVG: 4597600 30.3012 3.81477 -1.72282 3.81473 -42.0299 -48.5444 -1.7228 -48.5444 -11.6359 GPRESSAVG: 4597600 30.2829 4.07899 -1.53563 6.53476 -43.595 -48.6083 -3.20691 -48.5181 -10.2352 TIMING: 4597600 CPU: 14610.4, 0.00319158/step Wall: 14610.4, 0.00319158/step, 0.356748 hours remaining, 238.613281 MB of memory in use. ENERGY: 4597600 3957.1404 20643.0828 14507.6222 251.2430 -203066.3650 2284.4546 0.0000 0.0000 52098.9781 -109323.8439 299.4135 -161422.8221 -108962.1855 299.7428 -250.8268 -227.3541 760754.9139 -7.7882 -7.8491 PRESSURE: 4597800 134.339 79.0427 -55.3325 79.0427 56.8497 -253.605 -55.3326 -253.605 102.44 GPRESSURE: 4597800 129.529 17.6547 -85.6753 32.9447 109.331 -201.413 24.1379 -249.274 146.806 PRESSAVG: 4597800 24.9836 -56.3689 1.53657 -56.369 -28.9992 -41.3839 1.53656 -41.3838 21.2151 GPRESSAVG: 4597800 25.371 -55.2252 1.48617 -59.3519 -28.3783 -41.0005 4.24805 -41.8519 20.1901 TIMING: 4597800 CPU: 14611, 0.00320399/step Wall: 14611, 0.00320399/step, 0.357956 hours remaining, 238.613281 MB of memory in use. ENERGY: 4597800 4031.6214 20379.8659 14446.8546 250.2569 -203484.6034 2797.9068 0.0000 0.0000 52064.1122 -109513.9856 299.2132 -161578.0978 -109157.5846 299.5615 97.8765 128.5553 762481.5577 5.7332 5.7276 PRESSURE: 4598000 -159.994 -24.6944 -159.211 -24.6946 -182.228 -105.057 -159.211 -105.057 -48.9516 GPRESSURE: 4598000 10.11 -93.0033 -123.98 -12.7369 -260.401 -117.875 -190.06 90.8382 -32.1097 PRESSAVG: 4598000 26.5735 -40.6649 -28.7741 -40.6649 -10.9432 35.8835 -28.7741 35.8835 -47.2495 GPRESSAVG: 4598000 24.2375 -40.6379 -29.5611 -38.762 -9.61864 35.4336 -29.6174 38.1688 -46.608 TIMING: 4598000 CPU: 14611.7, 0.00319302/step Wall: 14611.7, 0.00319302/step, 0.356554 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4598000 3981.8633 20416.0429 14428.3147 233.0804 -203787.3877 2806.1128 0.0000 0.0000 52201.4434 -109720.5301 300.0024 -161921.9736 -109356.5628 299.3140 -130.3912 -94.1336 763631.9025 -10.5397 -10.6630 PRESSURE: 4598200 -61.006 -217.199 124.826 -217.198 -36.6839 101.237 124.826 101.237 257.181 GPRESSURE: 4598200 34.5914 -117.474 -37.121 -205.275 -38.8577 115.724 61.0879 98.9752 260.162 PRESSAVG: 4598200 16.9369 3.39079 38.566 3.39083 -53.2255 43.3519 38.566 43.3518 31.0737 GPRESSAVG: 4598200 17.8006 4.16032 38.4527 1.8328 -55.1671 43.8966 38.3308 40.8664 32.1695 TIMING: 4598200 CPU: 14612.3, 0.00319145/step Wall: 14612.3, 0.00319145/step, 0.356201 hours remaining, 238.613281 MB of memory in use. ENERGY: 4598200 4058.4472 20623.1099 14459.5264 266.8476 -203640.9747 2586.5113 0.0000 0.0000 52202.7173 -109443.8151 300.0097 -161646.5324 -109079.2888 299.0860 53.1637 85.2985 761850.3063 -1.7383 -1.7324 PRESSURE: 4598400 -207.205 67.2464 120.94 67.2464 -185.335 178.55 120.94 178.55 178.401 GPRESSURE: 4598400 -143.899 82.3677 187.236 74.9045 -67.7087 124.649 93.7298 210.352 73.5021 PRESSAVG: 4598400 -13.8469 -31.2624 25.0586 -31.2624 11.5058 -1.91616 25.0586 -1.91621 -14.6945 GPRESSAVG: 4598400 -14.6142 -31.8168 26.0341 -29.0418 13.3168 -1.50169 25.8703 -0.828609 -15.6645 TIMING: 4598400 CPU: 14612.9, 0.00318377/step Wall: 14612.9, 0.00318377/step, 0.355168 hours remaining, 238.613281 MB of memory in use. ENERGY: 4598400 3959.9643 20633.3176 14408.6380 255.2075 -203290.5132 2380.5374 0.0000 0.0000 51952.0066 -109700.8417 298.5689 -161652.8484 -109341.9787 299.3948 -71.3796 -46.0354 760611.0607 -5.6785 -5.6540 PRESSURE: 4598600 -139.701 2.38785 -46.0676 2.38771 -118.212 84.8153 -46.0672 84.815 -405.848 GPRESSURE: 4598600 -46.652 -23.1488 19.8101 -69.8635 -75.3874 14.6695 -30.2405 100.415 -449.698 PRESSAVG: 4598600 -2.97144 13.7762 8.96504 13.7762 -3.21231 -36.7531 8.96502 -36.7531 26.4547 GPRESSAVG: 4598600 -1.63025 14.3914 10.2436 13.5751 -4.87512 -37.2212 8.25461 -36.0248 26.7663 TIMING: 4598600 CPU: 14613.6, 0.00319041/step Wall: 14613.6, 0.00319041/step, 0.35573 hours remaining, 238.613281 MB of memory in use. ENERGY: 4598600 4003.7484 20611.0293 14368.4634 226.8761 -203173.0474 2309.4983 0.0000 0.0000 52123.3430 -109530.0888 299.5536 -161653.4318 -109176.9996 299.0383 -221.2538 -190.5791 762082.3522 6.7570 6.7537 PRESSURE: 4598800 218.727 -51.2979 -62.2978 -51.298 -98.5593 -91.7499 -62.2976 -91.751 96.3738 GPRESSURE: 4598800 250.827 -67.7712 -63.8727 -89.6745 -55.7825 -30.0876 -25.9237 -88.3475 94.8305 PRESSAVG: 4598800 -21.8476 -12.2144 -10.0414 -12.2144 -8.09286 -0.330959 -10.0414 -0.330961 4.2172 GPRESSAVG: 4598800 -21.734 -11.5712 -9.29532 -12.5352 -7.60094 0.705614 -10.6096 -1.67546 3.3809 TIMING: 4598800 CPU: 14614.2, 0.00319123/step Wall: 14614.2, 0.00319124/step, 0.355645 hours remaining, 238.613281 MB of memory in use. ENERGY: 4598800 3997.4539 20434.5172 14423.3771 236.8192 -203803.2885 2679.7292 0.0000 0.0000 52393.4900 -109637.9021 301.1061 -162031.3920 -109260.5818 298.9334 72.1806 96.6251 759644.2267 -8.5744 -8.6513 PRESSURE: 4599000 286.188 149.269 -28.9274 149.269 -78.466 12.6572 -28.9279 12.6568 275.484 GPRESSURE: 4599000 283.153 70.5653 -169.224 232.189 54.2317 23.856 -8.15559 58.021 241.736 PRESSAVG: 4599000 8.63792 -42.419 -31.072 -42.4189 6.01548 11.6509 -31.072 11.6509 9.13652 GPRESSAVG: 4599000 7.40452 -43.7836 -33.2198 -43.6688 7.58169 11.0986 -29.9899 11.881 9.13503 TIMING: 4599000 CPU: 14614.8, 0.00316976/step Wall: 14614.8, 0.00316976/step, 0.353076 hours remaining, 238.613281 MB of memory in use. ENERGY: 4599000 3996.3840 20534.6825 14372.1849 249.8206 -203394.4412 2545.7858 0.0000 0.0000 51967.1751 -109728.4082 298.6561 -161695.5833 -109365.0918 298.9158 161.0684 193.0402 760424.9965 7.9300 8.0404 PRESSURE: 4599200 -90.0582 -98.9895 111.609 -98.9902 -65.4038 45.9881 111.609 45.9879 -93.8218 GPRESSURE: 4599200 70.9662 -29.7844 92.6956 -131.924 -46.5181 -103.995 10.7664 176.789 -178.8 PRESSAVG: 4599200 40.184 6.21635 19.8292 6.21633 1.06022 39.7783 19.8292 39.7783 8.13975 GPRESSAVG: 4599200 41.4295 5.32587 19.7268 7.6834 -0.417417 40.0167 19.3949 40.4018 8.46846 TIMING: 4599200 CPU: 14615.5, 0.00315759/step Wall: 14615.5, 0.00315759/step, 0.351545 hours remaining, 238.613281 MB of memory in use. ENERGY: 4599200 4016.9689 20352.8787 14400.7776 260.3461 -203811.9309 2741.5374 0.0000 0.0000 52225.6581 -109813.7642 300.1416 -162039.4223 -109454.5516 298.3838 -83.0946 -51.4507 761584.3880 16.4613 16.4935 PRESSURE: 4599400 -145.535 -78.5525 -103.26 -78.5538 -26.3193 3.9746 -103.26 3.97496 135.703 GPRESSURE: 4599400 -87.6121 -31.3207 -45.51 -142.085 54.4844 -49.6687 -54.3307 -87.199 92.2337 PRESSAVG: 4599400 -17.3519 -6.10252 76.9437 -6.10254 -9.01641 34.5617 76.9437 34.5616 -9.01263 GPRESSAVG: 4599400 -18.4365 -6.25309 78.684 -7.5309 -7.8859 33.4674 76.5502 35.3371 -9.23731 TIMING: 4599400 CPU: 14616.1, 0.00318239/step Wall: 14616.1, 0.00318239/step, 0.354129 hours remaining, 238.613281 MB of memory in use. ENERGY: 4599400 4082.4513 20549.9953 14388.3068 251.1507 -203828.0133 2818.7001 0.0000 0.0000 51707.9912 -110029.4181 297.1665 -161737.4092 -109676.0447 298.1001 -12.0505 19.7020 760704.3693 -11.7937 -11.8532 PRESSURE: 4599600 337.927 68.8421 113.171 68.8417 322.438 -48.916 113.17 -48.9157 174.396 GPRESSURE: 4599600 399.77 -10.7721 93.7008 -55.3267 290.103 -9.09661 239.192 -73.7947 208.762 PRESSAVG: 4599600 21.4094 -39.2788 -10.6279 -39.2788 -13.3432 9.68682 -10.6279 9.68677 10.9724 GPRESSAVG: 4599600 20.5856 -37.764 -11.6421 -39.8814 -13.1207 9.99559 -10.0952 7.429 11.7223 TIMING: 4599600 CPU: 14616.7, 0.00317111/step Wall: 14616.7, 0.00317111/step, 0.352697 hours remaining, 238.613281 MB of memory in use. ENERGY: 4599600 4014.3138 20334.5138 14444.5243 268.6708 -204212.3601 2993.7359 0.0000 0.0000 52193.6013 -109963.0001 299.9573 -162156.6014 -109599.7374 298.7480 278.2536 299.5450 760459.8284 6.3462 6.3957 PRESSURE: 4599800 -89.1849 -222.077 49.2563 -222.076 -260.339 256.024 49.2577 256.024 -422.07 GPRESSURE: 4599800 -91.3626 -289.038 -53.9964 -198.931 -205.347 282.387 93.7469 299.347 -372.639 PRESSAVG: 4599800 57.4136 -57.1345 7.16034 -57.1345 -39.5846 -23.3428 7.16034 -23.3428 -14.2018 GPRESSAVG: 4599800 57.486 -57.5422 7.18528 -53.4053 -39.8334 -22.3842 8.12767 -24.8901 -13.8814 TIMING: 4599800 CPU: 14617.4, 0.00315553/step Wall: 14617.4, 0.00315554/step, 0.35079 hours remaining, 238.613281 MB of memory in use. ENERGY: 4599800 4027.2835 20409.5980 14346.0324 259.1176 -203273.6025 2497.1708 0.0000 0.0000 51819.0477 -109915.3525 297.8048 -161734.4002 -109549.1104 298.7076 -257.1980 -223.1162 762755.8930 1.2091 1.2571 PRESSURE: 4600000 310.516 10.5978 -84.5649 10.5981 -17.1698 250.452 -84.565 250.452 -96.6036 GPRESSURE: 4600000 477.352 68.5543 -80.5668 -24.3331 -76.0452 207.193 -112.126 129.156 -139.319 PRESSAVG: 4600000 -5.25986 -8.87735 -58.1666 -8.87735 -61.1153 14.279 -58.1667 14.279 6.10556 GPRESSAVG: 4600000 -4.03582 -8.92168 -57.6452 -10.3781 -60.4977 13.2604 -60.2788 17.3755 4.36917 TIMING: 4600000 CPU: 14618, 0.00318282/step Wall: 14618, 0.00318282/step, 0.353647 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4600000 4038.3348 20523.0280 14422.9550 254.9515 -203685.3451 2623.4653 0.0000 0.0000 52127.3463 -109695.2642 299.5766 -161822.6105 -109332.3181 298.5037 65.5810 87.3293 760133.4941 -20.0899 -20.0548 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600200 -120.948 27.4064 135.035 27.4062 163.855 156.214 135.035 156.214 -152.232 GPRESSURE: 4600200 -17.2722 45.2312 222.152 127.785 89.0128 172.084 83.8595 71.7386 -101.812 PRESSAVG: 4600200 22.0207 -1.52192 9.83057 -1.52196 14.2407 -6.79573 9.8306 -6.79574 6.07708 GPRESSAVG: 4600200 22.7394 -0.233623 8.86672 -3.08095 12.2675 -4.49386 12.2188 -10.0586 7.31176 TIMING: 4600200 CPU: 14618.7, 0.00328604/step Wall: 14618.7, 0.00328604/step, 0.364933 hours remaining, 238.738281 MB of memory in use. ENERGY: 4600200 4038.1652 20536.6751 14359.0929 236.2633 -203547.0160 2624.9782 0.0000 0.0000 52073.3129 -109678.5283 299.2660 -161751.8412 -109324.2589 298.7382 -36.4415 -10.0238 760225.2533 14.1128 14.1062 LDB: ============= START OF LOAD BALANCING ============== 14631.1 LDB: ============== END OF LOAD BALANCING =============== 14631.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14631.1 LDB: ============= START OF LOAD BALANCING ============== 14631.4 LDB: Largest compute 7058 load 0.035323 is 18.0% of average load 0.196025 LDB: Average compute 0.004383 is 2.2% of average load 0.196025 LDB: TIME 14631.4 LOAD: AVG 0.196025 MAX 0.225864 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 14631.4 LOAD: AVG 0.196025 MAX 0.225864 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 14631.4 LOAD: AVG 0.196025 MAX 0.225864 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14631.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14631.4 PRESSURE: 4600400 319.376 51.7043 167.935 51.7043 -20.59 -161.238 167.935 -161.237 571.72 GPRESSURE: 4600400 243.494 -4.93826 163.281 -1.3036 176.083 -164.235 316.292 -93.7537 538.012 PRESSAVG: 4600400 -2.27222 -23.6175 52.3385 -23.6175 3.22176 -2.31075 52.3384 -2.31074 24.8912 GPRESSAVG: 4600400 -2.77354 -23.894 53.138 -23.2907 4.2629 -3.16247 51.5188 -1.78141 24.203 TIMING: 4600400 CPU: 14619.3, 0.003241/step Wall: 14619.3, 0.003241/step, 0.359751 hours remaining, 238.867188 MB of memory in use. ENERGY: 4600400 3871.8462 20491.2132 14379.0402 238.2548 -203129.4249 2580.0499 0.0000 0.0000 51916.9359 -109652.0846 298.3673 -161569.0206 -109291.1063 298.8743 290.1685 319.1966 761393.0773 8.6136 8.5641 PRESSURE: 4600600 -35.1411 96.313 -135.525 96.3129 -103.366 44.8683 -135.525 44.8683 -316.073 GPRESSURE: 4600600 -12.158 119.678 -138.097 216.62 -116.475 127.604 -101.549 -9.14049 -231.453 PRESSAVG: 4600600 15.1586 -17.6011 16.3925 -17.6012 -26.2088 -11.1172 16.3925 -11.1172 -17.7987 GPRESSAVG: 4600600 15.7625 -19.0366 15.1714 -15.2454 -26.6158 -11.3277 16.6292 -10.575 -17.5667 TIMING: 4600600 CPU: 14620, 0.00316659/step Wall: 14620, 0.00316659/step, 0.351316 hours remaining, 239.070312 MB of memory in use. ENERGY: 4600600 3915.5866 20429.5593 14297.1611 263.2313 -202896.4112 2500.3442 0.0000 0.0000 51743.9963 -109746.5324 297.3735 -161490.5288 -109391.3811 298.9902 -151.5267 -120.0288 762471.3671 -9.6163 -9.4733 PRESSURE: 4600800 -17.0176 114.999 -210.592 114.998 -218.543 272.847 -210.591 272.848 -45.2618 GPRESSURE: 4600800 3.33985 257.956 -171.684 18.4307 -211.564 255.208 -191.387 156.864 8.55985 PRESSAVG: 4600800 13.8964 -8.09544 31.7334 -8.09544 -10.7372 8.0694 31.7334 8.06948 -1.22758 GPRESSAVG: 4600800 13.3935 -6.34279 32.3064 -7.98252 -10.1462 8.39125 31.5508 5.76241 -1.41011 TIMING: 4600800 CPU: 14620.6, 0.00317377/step Wall: 14620.6, 0.00317377/step, 0.351936 hours remaining, 239.070312 MB of memory in use. ENERGY: 4600800 3961.5850 20472.5073 14345.3450 253.5952 -202984.2112 2332.0804 0.0000 0.0000 51875.2738 -109743.8246 298.1279 -161619.0984 -109384.5288 298.6459 -93.6073 -66.5548 760394.4324 0.6439 0.6124 PRESSURE: 4601000 321.669 -29.3779 55.3198 -29.3775 199.232 -72.2325 55.3207 -72.2338 -91.3343 GPRESSURE: 4601000 277.024 -30.8134 73.7766 -50.5552 269.234 -187.617 -89.1839 52.6522 -18.4998 PRESSAVG: 4601000 49.2429 7.97377 -29.6187 7.9738 -76.8548 8.31166 -29.6186 8.31173 13.0416 GPRESSAVG: 4601000 49.1435 8.42579 -30.5499 4.98657 -77.4543 5.6059 -29.6235 10.6427 13.6314 TIMING: 4601000 CPU: 14621.2, 0.00317969/step Wall: 14621.2, 0.00317969/step, 0.352416 hours remaining, 239.070312 MB of memory in use. ENERGY: 4601000 3969.7874 20258.8403 14428.9881 239.2397 -202898.7758 2238.7545 0.0000 0.0000 52303.7600 -109459.4059 300.5904 -161763.1659 -109090.1611 299.0095 143.1889 175.9192 760864.4612 -4.8568 -4.8931 PRESSURE: 4601200 -496.372 80.526 -312.883 80.5259 -543.277 44.894 -312.883 44.8948 350.865 GPRESSURE: 4601200 -350.631 178.245 -230.361 69.5906 -488.734 163.166 -357.519 138.065 249.577 PRESSAVG: 4601200 82.2387 -4.93118 -5.3349 -4.9312 -52.6556 4.99033 -5.33491 4.99026 4.96125 GPRESSAVG: 4601200 83.1588 -5.64186 -4.71215 -2.7115 -51.4504 7.74368 -6.52279 3.47918 3.003 TIMING: 4601200 CPU: 14621.9, 0.00319435/step Wall: 14621.9, 0.00319435/step, 0.353863 hours remaining, 239.070312 MB of memory in use. ENERGY: 4601200 3995.2271 20540.6848 14391.1760 236.1131 -202988.8789 2247.4191 0.0000 0.0000 52174.0071 -109404.2518 299.8447 -161578.2589 -109054.8153 299.4710 -229.5945 -196.5963 761029.8542 11.5148 11.5705 PRESSURE: 4601400 -168.195 215.414 183.116 215.413 -190.995 59.2329 183.116 59.2327 -48.7592 GPRESSURE: 4601400 -132.677 64.083 178.374 130.941 -140.023 -60.7065 92.8315 90.733 -50.4841 PRESSAVG: 4601400 33.775 -7.31043 14.6965 -7.31042 -3.9647 -13.5765 14.6965 -13.5765 19.7418 GPRESSAVG: 4601400 32.5183 -9.63341 15.1431 -8.25284 -3.64447 -13.9203 14.5949 -11.7367 19.9865 TIMING: 4601400 CPU: 14622.5, 0.00315594/step Wall: 14622.5, 0.00315594/step, 0.349433 hours remaining, 239.070312 MB of memory in use. ENERGY: 4601400 3937.8506 20518.1228 14389.0088 227.4236 -202808.1689 2141.7586 0.0000 0.0000 52194.9386 -109399.0659 299.9650 -161594.0045 -109036.0332 300.1403 -135.9833 -107.7279 761239.4071 16.5174 16.2868 PRESSURE: 4601600 -300.585 67.8796 -261.187 67.8801 -336.963 -59.1794 -261.187 -59.1808 -71.3679 GPRESSURE: 4601600 -297.669 69.7589 -199.003 14.0568 -313.359 -76.3918 -277.843 -101.335 -7.42894 PRESSAVG: 4601600 30.7658 5.43414 -57.8475 5.43411 -64.037 4.10674 -57.8475 4.10677 -3.08195 GPRESSAVG: 4601600 30.8628 8.65448 -58.0871 4.49751 -64.8938 2.94197 -54.8054 3.34278 -2.89375 TIMING: 4601600 CPU: 14623.1, 0.00316927/step Wall: 14623.1, 0.00316927/step, 0.350732 hours remaining, 239.070312 MB of memory in use. ENERGY: 4601600 3997.1816 20382.3219 14420.0055 257.4847 -203114.9851 2392.9276 0.0000 0.0000 52045.2536 -109619.8102 299.1048 -161665.0639 -109258.2116 299.4908 -236.3051 -206.1524 761385.8467 -12.1177 -12.3082 PRESSURE: 4601800 185.409 92.886 53.8235 92.8857 24.2379 40.6737 53.8233 40.6716 229.844 GPRESSURE: 4601800 233.965 38.6833 -23.1672 -9.8375 69.9976 107.988 112.499 91.2234 249.897 PRESSAVG: 4601800 36.8836 -23.3676 -5.8956 -23.3676 -44.4079 47.5231 -5.89559 47.5231 10.0868 GPRESSAVG: 4601800 37.2224 -24.7377 -5.3369 -24.0449 -45.8315 48.8316 -6.99386 45.8735 10.8612 TIMING: 4601800 CPU: 14623.8, 0.00316535/step Wall: 14623.8, 0.00316535/step, 0.350123 hours remaining, 239.070312 MB of memory in use. ENERGY: 4601800 3973.4159 20348.2830 14424.1067 246.3829 -203472.4543 2781.9587 0.0000 0.0000 52034.0841 -109664.2230 299.0406 -161698.3071 -109302.5125 299.3024 146.4967 184.6199 760454.2361 0.8542 0.7507 PRESSURE: 4602000 61.5548 -122.518 404.299 -122.518 132.558 -582.633 404.299 -582.633 110.137 GPRESSURE: 4602000 95.2513 -104.817 349.709 -133.744 202.785 -541.125 400.659 -486.498 94.9617 PRESSAVG: 4602000 19.5514 80.3215 -20.072 80.3214 19.992 -23.6742 -20.0721 -23.6742 -6.77219 GPRESSAVG: 4602000 18.946 80.8542 -20.9275 80.985 20.7091 -23.9134 -18.8508 -21.6944 -7.00529 TIMING: 4602000 CPU: 14624.4, 0.00314388/step Wall: 14624.4, 0.00314389/step, 0.347574 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4602000 3988.5702 20562.0986 14527.5954 221.8365 -203614.6525 2801.6350 0.0000 0.0000 52000.4230 -109512.4938 298.8471 -161512.9167 -109162.5977 299.2022 101.4166 130.9993 760373.0583 10.9237 10.8833 PRESSURE: 4602200 -43.3459 259.923 97.3713 259.923 -198.619 147.356 97.3714 147.356 -689.504 GPRESSURE: 4602200 -69.057 181.226 -25.9883 257.949 -132.267 128.246 155.274 103.579 -647.842 PRESSAVG: 4602200 -27.9486 31.0665 9.66791 31.0665 25.7478 -25.6416 9.66789 -25.6417 27.1252 GPRESSAVG: 4602200 -27.7195 30.8898 10.754 31.0057 26.8787 -24.1576 8.1488 -25.4912 26.2549 TIMING: 4602200 CPU: 14625, 0.00317036/step Wall: 14625, 0.00317036/step, 0.350324 hours remaining, 239.070312 MB of memory in use. ENERGY: 4602200 3951.8111 20590.9752 14436.9050 234.8782 -203687.5582 2612.7215 0.0000 0.0000 52226.9509 -109633.3164 300.1490 -161860.2673 -109278.9836 298.9846 -310.4897 -283.0551 761716.3120 8.3082 8.4714 PRESSURE: 4602400 -130.607 -74.9133 -62.0029 -74.9126 -368.474 -8.12105 -62.0027 -8.12061 -249.294 GPRESSURE: 4602400 -87.48 -118.932 -127.871 37.5269 -364.671 -76.471 22.6086 -161.892 -191.117 PRESSAVG: 4602400 17.0129 -34.0143 9.21456 -34.0143 -0.573992 -36.8496 9.21458 -36.8495 -9.52969 GPRESSAVG: 4602400 17.8719 -35.2455 7.69693 -33.652 -2.47766 -40.0292 9.79936 -37.7571 -8.65912 TIMING: 4602400 CPU: 14625.7, 0.00316831/step Wall: 14625.7, 0.00316831/step, 0.349922 hours remaining, 239.070312 MB of memory in use. ENERGY: 4602400 3979.4002 20583.0456 14468.7377 239.3469 -203440.3108 2489.6953 0.0000 0.0000 51970.6820 -109709.4031 298.6762 -161680.0851 -109351.9462 299.2731 -249.4579 -214.4229 761811.3970 2.3031 2.2450 PRESSURE: 4602600 -108.236 -157.569 118.159 -157.568 -362.762 230.861 118.159 230.861 179.193 GPRESSURE: 4602600 -82.1565 -166.242 103.599 -176.655 -238.646 256.134 44.9859 127.406 102.082 PRESSAVG: 4602600 72.7769 -5.13708 68.9136 -5.13709 -66.7861 -70.8627 68.9137 -70.8628 -31.1932 GPRESSAVG: 4602600 72.777 -3.20344 70.2686 -4.43178 -66.3107 -68.8225 67.5785 -71.0959 -31.4354 TIMING: 4602600 CPU: 14626.3, 0.00318851/step Wall: 14626.3, 0.00318851/step, 0.351976 hours remaining, 239.070312 MB of memory in use. ENERGY: 4602600 3945.4506 20493.2059 14529.3392 249.7661 -203366.6201 2338.6561 0.0000 0.0000 51978.6060 -109831.5963 298.7218 -161810.2023 -109474.6145 299.0111 -97.2680 -72.9068 761404.9173 -8.4008 -8.3230 PRESSURE: 4602800 -321.305 35.1278 -27.545 35.1274 157.788 -267.525 -27.5448 -267.525 -116.911 GPRESSURE: 4602800 -157.797 54.5397 -93.577 -118.932 56.2834 -346.286 12.0119 -114.428 -83.7136 PRESSAVG: 4602800 40.5675 26.4917 30.6252 26.4917 -12.1019 12.2946 30.6252 12.2947 29.8479 GPRESSAVG: 4602800 39.1523 26.9432 29.2804 24.6294 -10.5511 10.8166 30.3328 13.5778 29.1896 TIMING: 4602800 CPU: 14626.9, 0.00317054/step Wall: 14626.9, 0.00317054/step, 0.349817 hours remaining, 239.070312 MB of memory in use. ENERGY: 4602800 4032.2717 20460.0958 14411.0507 257.6598 -203448.9475 2354.8876 0.0000 0.0000 52155.9159 -109777.0660 299.7408 -161932.9819 -109423.6341 298.9866 -93.4760 -61.7426 761996.4062 19.4379 19.2636 PRESSURE: 4603000 -90.2321 50.9886 -228.147 50.9891 -177.476 60.0124 -228.147 60.0129 2.35953 GPRESSURE: 4603000 -41.9844 22.7197 -146.847 25.3646 -192.195 113.171 -112.743 51.517 65.5674 PRESSAVG: 4603000 20.1465 -7.16391 -61.7246 -7.1639 10.9757 -23.3673 -61.7247 -23.3673 30.3664 GPRESSAVG: 4603000 20.596 -6.65948 -63.2028 -6.8294 10.3781 -21.7797 -58.0546 -21.7798 30.3026 TIMING: 4603000 CPU: 14627.6, 0.00314968/step Wall: 14627.6, 0.00314968/step, 0.347339 hours remaining, 239.328125 MB of memory in use. ENERGY: 4603000 3998.3965 20457.7505 14438.9615 234.3090 -203539.0743 2587.6567 0.0000 0.0000 52187.3151 -109634.6851 299.9212 -161822.0003 -109276.7857 299.0456 -88.4495 -56.2039 760102.4041 20.4962 20.4255 PRESSURE: 4603200 -387.929 -77.163 165.704 -77.1622 125.019 -93.165 165.704 -93.1647 -305.395 GPRESSURE: 4603200 -353.695 -69.1185 130.115 34.3564 151.511 -117.149 128.711 -126.34 -274.956 PRESSAVG: 4603200 37.8005 26.6131 8.64131 26.6132 -27.5707 -37.0399 8.64136 -37.0399 -21.672 GPRESSAVG: 4603200 38.2945 24.0162 9.44004 29.1311 -28.0005 -39.5912 6.68234 -37.3616 -21.4523 TIMING: 4603200 CPU: 14628.2, 0.00314357/step Wall: 14628.2, 0.00314357/step, 0.346491 hours remaining, 239.328125 MB of memory in use. ENERGY: 4603200 4079.9854 20477.5335 14445.1228 242.0389 -203019.8660 2316.0075 0.0000 0.0000 51793.4626 -109665.7153 297.6577 -161459.1779 -109304.0847 299.1870 -189.4348 -159.0466 759947.0376 -3.8140 -3.7194 PRESSURE: 4603400 -130.389 -65.7468 95.8911 -65.7455 -50.5001 35.9515 95.8912 35.9511 128.755 GPRESSURE: 4603400 -50.6556 -188.901 90.2368 131.699 3.93039 73.5424 74.2996 183.398 72.9164 PRESSAVG: 4603400 42.8453 2.45226 16.5419 2.45224 -86.6875 9.59245 16.5419 9.59246 6.98464 GPRESSAVG: 4603400 42.968 3.49453 17.5722 3.29399 -87.2865 12.3031 17.7237 6.99327 7.89251 TIMING: 4603400 CPU: 14628.8, 0.00316593/step Wall: 14628.8, 0.00316593/step, 0.34878 hours remaining, 239.328125 MB of memory in use. ENERGY: 4603400 3978.7190 20559.7728 14503.0531 263.0502 -203289.5614 2353.3502 0.0000 0.0000 52136.5629 -109495.0532 299.6295 -161631.6161 -109142.1240 299.0724 -17.3779 8.7304 761264.7105 -12.2859 -12.1420 PRESSURE: 4603600 12.4624 -37.3044 173.025 -37.3042 -54.1331 -37.6359 173.024 -37.6358 -363.125 GPRESSURE: 4603600 -25.3617 15.488 152.351 -14.06 74.195 -74.9867 65.8914 -107.483 -361.241 PRESSAVG: 4603600 -0.611679 -0.378019 19.0707 -0.378008 22.685 -18.0634 19.0707 -18.0634 13.7112 GPRESSAVG: 4603600 -1.97578 -0.0778451 19.0228 -1.60465 24.379 -18.177 16.0487 -17.4314 13.394 TIMING: 4603600 CPU: 14629.5, 0.00315551/step Wall: 14629.5, 0.00315551/step, 0.347456 hours remaining, 239.328125 MB of memory in use. ENERGY: 4603600 3931.8327 20718.4542 14500.7212 252.3611 -202976.3923 2098.6623 0.0000 0.0000 51870.8339 -109603.5269 298.1024 -161474.3608 -109240.6173 299.4279 -134.9320 -104.1359 760304.4884 11.9282 11.9324 PRESSURE: 4603800 -93.5699 67.5458 124.684 67.5454 -235.259 94.0104 124.684 94.0105 303.812 GPRESSURE: 4603800 -43.5014 36.5208 194.263 -53.9291 -185.797 103.636 50.4407 121.505 276.037 PRESSAVG: 4603800 54.8637 -3.44521 4.11738 -3.44513 -44.3067 -19.084 4.11737 -19.084 -9.90314 GPRESSAVG: 4603800 55.7957 -3.70149 4.6084 -5.87413 -44.9121 -19.6336 5.51962 -19.202 -10.1693 TIMING: 4603800 CPU: 14630.1, 0.00315473/step Wall: 14630.1, 0.00315473/step, 0.347196 hours remaining, 239.328125 MB of memory in use. ENERGY: 4603800 4034.6927 20503.2622 14450.0896 239.5264 -203665.9353 2603.5531 0.0000 0.0000 51876.0080 -109958.8032 298.1321 -161834.8113 -109602.7816 298.7795 -8.3391 15.5793 759831.0966 0.2180 0.2381 PRESSURE: 4604000 112.86 -86.2834 208.871 -86.2831 132.809 31.8018 208.871 31.8022 56.6365 GPRESSURE: 4604000 53.2706 -142.608 171.428 -158.066 182.591 64.5923 204.092 13.3536 148.739 PRESSAVG: 4604000 56.6933 -2.46019 46.8222 -2.46019 -42.3555 -8.38595 46.8222 -8.38597 2.78598 GPRESSAVG: 4604000 56.7007 0.0348212 46.8867 -3.65689 -43.2577 -9.13658 44.168 -7.17555 3.61985 TIMING: 4604000 CPU: 14630.7, 0.00314726/step Wall: 14630.7, 0.00314726/step, 0.346198 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4604000 3968.7740 20535.2928 14401.9925 243.7411 -203784.5393 2919.5285 0.0000 0.0000 51966.2877 -109748.9228 298.6510 -161715.2105 -109386.3177 298.8660 100.7685 128.2003 762701.0986 5.7079 5.6876 PRESSURE: 4604200 105.977 -64.4239 37.3364 -64.4244 49.7296 -154.557 37.3371 -154.555 -223.173 GPRESSURE: 4604200 170.189 -25.6796 84.0178 -88.6714 47.1746 -39.7166 -13.8573 -110.007 -203.306 PRESSAVG: 4604200 -61.1794 2.62933 -8.63163 2.62929 9.92142 8.92436 -8.63164 8.92442 -11.5282 GPRESSAVG: 4604200 -61.1328 1.30197 -7.67174 5.04175 10.0596 10.6627 -8.4366 6.71807 -11.9296 TIMING: 4604200 CPU: 14631.3, 0.0031699/step Wall: 14631.3, 0.0031699/step, 0.348513 hours remaining, 239.328125 MB of memory in use. ENERGY: 4604200 3957.7407 20685.3951 14468.2142 248.5676 -202791.4844 2270.4487 0.0000 0.0000 51816.9180 -109344.2001 297.7925 -161161.1181 -108984.3020 298.7161 -22.4888 4.6858 761960.8551 -20.9287 -21.0010 LDB: ============= START OF LOAD BALANCING ============== 14643.7 LDB: ============== END OF LOAD BALANCING =============== 14643.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14643.7 LDB: ============= START OF LOAD BALANCING ============== 14644.1 LDB: Largest compute 7078 load 0.036014 is 18.4% of average load 0.196028 LDB: Average compute 0.004389 is 2.2% of average load 0.196028 LDB: TIME 14644.1 LOAD: AVG 0.196028 MAX 0.22179 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.875 MB LDB: TIME 14644.1 LOAD: AVG 0.196028 MAX 0.22179 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.941 MB LDB: TIME 14644.1 LOAD: AVG 0.196028 MAX 0.22179 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14644.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14644.1 PRESSURE: 4604400 239.467 76.3097 131.779 76.3104 -194.927 4.07348 131.779 4.07267 137.764 GPRESSURE: 4604400 406.612 -6.90103 106.234 45.5179 -320.536 -51.5728 122.353 -63.1853 168.9 PRESSAVG: 4604400 17.0647 -56.2713 27.1858 -56.2714 -16.937 -23.8341 27.1858 -23.8341 -6.93077 GPRESSAVG: 4604400 17.2384 -55.6872 25.116 -58.4357 -16.9836 -24.4798 27.3848 -23.394 -6.78764 TIMING: 4604400 CPU: 14632, 0.00321663/step Wall: 14632, 0.00321663/step, 0.353472 hours remaining, 239.125000 MB of memory in use. ENERGY: 4604400 3945.1128 20647.0512 14443.0725 240.4895 -203160.1146 2376.3404 0.0000 0.0000 52075.3368 -109432.7114 299.2777 -161508.0482 -109076.9001 299.7458 60.7684 84.9922 761337.0166 -2.2677 -2.1776 PRESSURE: 4604600 107.324 -92.7556 -0.681472 -92.7568 369.952 -166.234 -0.680911 -166.233 159.988 GPRESSURE: 4604600 186.282 -225.378 -34.1142 -129.155 319.047 -195.393 -88.5331 -170.787 198.475 PRESSAVG: 4604600 73.5787 -80.4604 20.5396 -80.4604 -36.8464 -35.2312 20.5395 -35.2312 5.31453 GPRESSAVG: 4604600 75.12 -81.0788 20.3097 -78.6043 -37.9815 -34.165 21.8552 -33.6186 4.94798 TIMING: 4604600 CPU: 14632.6, 0.00317907/step Wall: 14632.6, 0.00317907/step, 0.349168 hours remaining, 239.328125 MB of memory in use. ENERGY: 4604600 3929.1062 20615.3663 14339.2515 265.1078 -203392.3901 2544.1284 0.0000 0.0000 52115.0666 -109584.3631 299.5060 -161699.4298 -109211.8342 299.3533 212.4213 234.6013 759522.5916 14.0156 14.0288 PRESSURE: 4604800 140.628 -208.029 75.9953 -208.028 -12.8686 73.9122 75.9949 73.9122 610.51 GPRESSURE: 4604800 180.092 -140.204 76.5533 -223.231 65.6141 49.829 245.71 72.2942 593.279 PRESSAVG: 4604800 21.9151 -61.544 -11.4594 -61.544 16.6168 -68.0168 -11.4593 -68.0167 33.3628 GPRESSAVG: 4604800 18.999 -62.6072 -10.6252 -61.8307 19.0977 -68.0866 -11.4144 -68.9356 33.3805 TIMING: 4604800 CPU: 14633.3, 0.00315987/step Wall: 14633.3, 0.00315987/step, 0.346884 hours remaining, 239.328125 MB of memory in use. ENERGY: 4604800 3943.2564 20686.5808 14415.4264 238.6964 -203239.2132 2373.5334 0.0000 0.0000 51950.0854 -109631.6345 298.5579 -161581.7199 -109276.2384 299.2077 246.0898 279.6618 759337.3329 23.9649 23.8257 PRESSURE: 4605000 92.6306 -184.41 -40.9587 -184.409 74.7295 -104.612 -40.9589 -104.612 -188.236 GPRESSURE: 4605000 140.788 -120.553 -6.54874 -174.139 111.093 -55.8649 23.3816 -128.848 -172.336 PRESSAVG: 4605000 15.0332 -48.5634 3.47941 -48.5634 -49.0965 -3.5796 3.47944 -3.5796 -21.9443 GPRESSAVG: 4605000 15.5482 -47.2977 4.15846 -47.1941 -50.0384 -5.18574 2.9086 -2.82218 -21.6148 TIMING: 4605000 CPU: 14633.9, 0.00314273/step Wall: 14633.9, 0.00314273/step, 0.344827 hours remaining, 239.328125 MB of memory in use. ENERGY: 4605000 3907.3327 20576.0887 14486.2461 255.1454 -203590.4313 2644.5119 0.0000 0.0000 51963.6402 -109757.4662 298.6358 -161721.1065 -109397.8087 299.1121 -6.9586 26.5151 759839.9336 -18.6692 -18.7017 PRESSURE: 4605200 -145.421 65.4206 172.221 65.4209 -336.54 -92.3024 172.22 -92.3019 96.7513 GPRESSURE: 4605200 -93.8821 102.104 241.063 21.0162 -288.778 -100.831 147.631 43.8873 70.9121 PRESSAVG: 4605200 -9.11667 -47.366 6.62324 -47.366 -7.62145 -61.0914 6.62325 -61.0913 -11.0935 GPRESSAVG: 4605200 -9.17144 -47.1658 6.58793 -47.4881 -7.26827 -59.1073 6.29274 -60.7685 -11.2375 TIMING: 4605200 CPU: 14634.5, 0.00314533/step Wall: 14634.5, 0.00314533/step, 0.344938 hours remaining, 239.328125 MB of memory in use. ENERGY: 4605200 3995.4999 20471.2255 14446.6446 258.8584 -203426.2059 2432.0095 0.0000 0.0000 52041.4245 -109780.5435 299.0828 -161821.9680 -109419.4013 298.3165 -128.4031 -103.9160 761226.1634 -9.2772 -9.2257 PRESSURE: 4605400 -78.7511 90.1058 -10.0587 90.1054 -41.5241 -73.0525 -10.0587 -73.0524 312.115 GPRESSURE: 4605400 -64.5061 -122.438 22.5848 182.431 23.2616 -56.3524 65.3195 -165.335 333.21 PRESSAVG: 4605400 6.20865 -2.08252 63.7815 -2.08245 -25.992 -8.34564 63.7815 -8.34557 8.38888 GPRESSAVG: 4605400 6.85033 -3.63269 63.8332 -1.16165 -27.9424 -9.7079 64.9202 -9.47995 9.72555 TIMING: 4605400 CPU: 14635.1, 0.00314662/step Wall: 14635.1, 0.00314662/step, 0.344904 hours remaining, 239.328125 MB of memory in use. ENERGY: 4605400 4037.1888 20554.6898 14374.5256 263.4592 -203722.0267 2757.7597 0.0000 0.0000 51983.0409 -109751.3625 298.7473 -161734.4035 -109375.0625 299.1452 63.9466 97.3220 762111.0226 -3.7982 -3.7889 PRESSURE: 4605600 -156.326 -96.3277 9.73229 -96.3281 -197.08 36.9219 9.73198 36.9231 -204.429 GPRESSURE: 4605600 -42.5552 -33.1049 61.9669 -251.849 -131.404 137.308 -13.9353 31.8483 -301.147 PRESSAVG: 4605600 -29.274 -26.4446 -7.8095 -26.4446 19.8603 -31.4712 -7.80949 -31.4712 12.533 GPRESSAVG: 4605600 -29.6475 -25.8693 -7.82733 -28.7852 21.0249 -30.5411 -7.56288 -33.1007 12.0718 TIMING: 4605600 CPU: 14635.8, 0.003157/step Wall: 14635.8, 0.003157/step, 0.345867 hours remaining, 239.328125 MB of memory in use. ENERGY: 4605600 4009.1600 20611.3246 14468.9026 246.4008 -203474.2057 2376.6446 0.0000 0.0000 52170.4346 -109591.3385 299.8242 -161761.7731 -109229.0865 299.5921 -185.9452 -158.3684 759953.9726 1.0397 1.1497 PRESSURE: 4605800 78.7677 -5.32848 113.355 -5.32886 -106.053 188.139 113.355 188.138 -195.152 GPRESSURE: 4605800 192.446 -20.9461 103.373 80.6138 -130.785 163.856 143.886 185.91 -205.179 PRESSAVG: 4605800 14.4243 0.096385 10.779 0.0964058 -9.64051 4.13982 10.779 4.1397 2.95843 GPRESSAVG: 4605800 14.8297 -0.510132 11.6112 1.7204 -10.2785 3.37791 7.91976 6.76603 2.78005 TIMING: 4605800 CPU: 14636.4, 0.00317346/step Wall: 14636.4, 0.00317346/step, 0.347494 hours remaining, 239.328125 MB of memory in use. ENERGY: 4605800 4068.1684 20589.1261 14401.0988 248.2897 -203508.0741 2479.8282 0.0000 0.0000 52035.1770 -109686.3860 299.0469 -161721.5630 -109328.6044 299.4865 -74.1456 -47.8395 758992.1742 2.5807 2.4438 PRESSURE: 4606000 11.8392 -139.256 30.4072 -139.256 -238.455 17.8772 30.4075 17.8767 55.8822 GPRESSURE: 4606000 59.711 -193.77 49.1303 -110.605 -207.235 86.4406 108.062 38.0189 77.4732 PRESSAVG: 4606000 18.5449 -31.2131 -46.0803 -31.2132 -46.9748 3.69993 -46.0803 3.69995 -25.9379 GPRESSAVG: 4606000 18.3719 -31.0514 -47.7191 -32.0788 -46.773 4.80664 -45.8818 2.33955 -26.049 TIMING: 4606000 CPU: 14637, 0.00318167/step Wall: 14637, 0.00318167/step, 0.348216 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4606000 4052.9801 20651.5096 14402.7996 256.5679 -203534.4583 2344.2839 0.0000 0.0000 52362.8394 -109463.4778 300.9300 -161826.3172 -109092.4033 299.5626 -56.9110 -23.3503 759287.4066 -18.1226 -18.1500 PRESSURE: 4606200 -451.348 69.2155 -385.807 69.2155 -77.1705 -39.0351 -385.808 -39.0353 -183.713 GPRESSURE: 4606200 -276.743 -16.2177 -423.979 111.42 -91.8952 71.0107 -422.462 -123.105 -251.013 PRESSAVG: 4606200 32.0739 -15.9248 47.4466 -15.9247 -50.2865 24.4691 47.4466 24.4691 8.52608 GPRESSAVG: 4606200 32.4111 -15.0759 48.2289 -14.6299 -50.3833 24.3849 48.2897 25.9321 8.49271 TIMING: 4606200 CPU: 14637.7, 0.00316577/step Wall: 14637.7, 0.00316577/step, 0.3463 hours remaining, 239.328125 MB of memory in use. ENERGY: 4606200 4012.6823 20535.7094 14330.3434 234.6396 -203461.7032 2620.3177 0.0000 0.0000 52199.1544 -109528.8564 299.9893 -161728.0108 -109165.5592 299.6923 -237.4104 -206.5504 762688.5344 -3.2288 -3.1599 PRESSURE: 4606400 151.103 -67.226 42.3798 -67.2262 -154.98 -164.426 42.38 -164.426 -222.366 GPRESSURE: 4606400 11.1372 -34.4612 -91.5243 -86.4596 5.723 -76.9648 101.63 -179.62 -150.518 PRESSAVG: 4606400 20.8293 2.60375 -29.4815 2.60381 -43.457 -12.6988 -29.4814 -12.6988 -24.8481 GPRESSAVG: 4606400 21.4094 3.45213 -29.3466 1.17371 -43.0962 -14.4986 -28.3759 -13.381 -25.0825 TIMING: 4606400 CPU: 14638.3, 0.0031462/step Wall: 14638.3, 0.0031462/step, 0.343985 hours remaining, 239.328125 MB of memory in use. ENERGY: 4606400 4093.7274 20547.8989 14338.6439 242.4561 -203157.8210 2556.0515 0.0000 0.0000 51831.5814 -109547.4618 297.8768 -161379.0432 -109203.1522 298.8610 -75.4145 -44.5526 762628.0080 -15.8253 -15.5898 PRESSURE: 4606600 58.0994 131.798 17.3288 131.798 -229.86 -166.776 17.3283 -166.775 -125.405 GPRESSURE: 4606600 59.7005 194.075 76.449 16.2005 -210.062 -152.171 -9.16446 -67.3123 -78.4779 PRESSAVG: 4606600 47.0741 16.4266 4.20642 16.4266 -47.9363 -58.2153 4.20645 -58.2153 9.63327 GPRESSAVG: 4606600 46.3931 15.6678 3.89927 17.7355 -47.8926 -58.6904 3.41058 -58.5384 10.1786 TIMING: 4606600 CPU: 14638.9, 0.00317063/step Wall: 14638.9, 0.00317063/step, 0.34648 hours remaining, 239.328125 MB of memory in use. ENERGY: 4606600 3998.4165 20643.5470 14384.5521 237.6370 -203277.5455 2376.2689 0.0000 0.0000 52039.0350 -109598.0890 299.0690 -161637.1240 -109242.6610 298.9537 -99.0554 -76.2799 762053.3612 2.9237 2.8930 PRESSURE: 4606800 -362.189 109.903 -71.4816 109.902 17.4713 -103.76 -71.4815 -103.759 5.41471 GPRESSURE: 4606800 -347.074 116.492 -24.0249 77.752 97.6432 -148.084 -35.2342 -82.6944 -2.64092 PRESSAVG: 4606800 15.9619 -25.348 -46.9853 -25.348 22.2184 -21.4533 -46.9853 -21.4533 -1.64298 GPRESSAVG: 4606800 14.6741 -25.7525 -48.7091 -24.3131 22.8215 -21.1047 -45.1631 -21.3297 -1.5092 TIMING: 4606800 CPU: 14639.6, 0.0031596/step Wall: 14639.6, 0.0031596/step, 0.345099 hours remaining, 239.328125 MB of memory in use. ENERGY: 4606800 3881.1819 20784.7093 14472.3353 239.4198 -203509.3270 2606.6449 0.0000 0.0000 51957.5490 -109567.4868 298.6007 -161525.0358 -109204.6194 299.0977 -113.1009 -84.0240 762026.0221 12.1791 11.9955 PRESSURE: 4607000 70.9089 -208.906 -1.56722 -208.905 -85.1764 1.68096 -1.56742 1.68077 35.6546 GPRESSURE: 4607000 46.255 -123.242 31.369 -132.008 -2.85175 -6.37734 -90.7901 -24.4027 48.9455 PRESSAVG: 4607000 11.3099 -81.3335 31.6855 -81.3335 12.8056 0.0894294 31.6856 0.0894566 1.40692 GPRESSAVG: 4607000 12.3869 -80.2547 32.5257 -85.7942 12.3134 0.997692 28.4023 2.5323 0.623326 TIMING: 4607000 CPU: 14640.2, 0.00315741/step Wall: 14640.2, 0.00315741/step, 0.344684 hours remaining, 239.328125 MB of memory in use. ENERGY: 4607000 3976.6632 20469.3399 14499.1427 257.5065 -203544.2326 2687.3847 0.0000 0.0000 52234.0365 -109420.1591 300.1897 -161654.1956 -109058.1334 299.6317 7.1290 30.7829 761751.5761 8.5074 8.4412 PRESSURE: 4607200 -258.404 -63.7337 -45.5823 -63.7334 -90.6357 185.384 -45.5831 185.384 -185.242 GPRESSURE: 4607200 -181.228 23.6993 -62.4813 -104.127 -102.024 173.943 -50.1567 44.2223 -154.539 PRESSAVG: 4607200 -24.1189 -59.2582 16.6655 -59.2582 21.5763 -77.6743 16.6655 -77.6743 17.4967 GPRESSAVG: 4607200 -25.3932 -59.3056 15.3457 -57.6641 22.6879 -77.8185 20.0977 -79.0205 17.4659 TIMING: 4607200 CPU: 14640.8, 0.00316893/step Wall: 14640.8, 0.00316893/step, 0.345766 hours remaining, 239.328125 MB of memory in use. ENERGY: 4607200 4027.6050 20523.5647 14530.2172 237.8716 -202929.6868 2251.0547 0.0000 0.0000 52283.7626 -109075.6111 300.4755 -161359.3737 -108707.1849 300.5112 -178.0939 -145.9301 762245.9160 4.9847 4.9202 PRESSURE: 4607400 32.8479 -11.6735 -240.184 -11.6724 -4.05239 38.8515 -240.183 38.8522 -680.511 GPRESSURE: 4607400 26.9161 -86.2273 -134.472 3.01137 -2.8862 127.532 -152.7 42.8036 -598.119 PRESSAVG: 4607400 61.8394 4.67099 7.1247 4.67096 -48.4901 27.1851 7.1247 27.1851 -17.676 GPRESSAVG: 4607400 61.843 4.39059 6.74953 5.15896 -48.9643 28.4649 6.80163 23.4495 -17.7479 TIMING: 4607400 CPU: 14641.5, 0.00315953/step Wall: 14641.5, 0.00315953/step, 0.344565 hours remaining, 239.328125 MB of memory in use. ENERGY: 4607400 4040.0460 20651.7119 14545.0618 253.5048 -203597.0234 2569.8488 0.0000 0.0000 52316.2365 -109220.6136 300.6621 -161536.8500 -108864.2372 300.0521 -217.2386 -191.3632 760440.1866 -1.4422 -1.6231 PRESSURE: 4607600 61.5721 -127.789 -112.669 -127.79 -358.146 -191.437 -112.668 -191.437 -166.351 GPRESSURE: 4607600 26.3571 -76.5939 -91.8437 -94.4722 -237.155 -251.382 -92.9142 -230.183 -173.488 PRESSAVG: 4607600 38.9096 -11.3029 21.3922 -11.3029 -0.927749 -56.3339 21.3923 -56.3338 -13.4802 GPRESSAVG: 4607600 39.3599 -13.7505 23.946 -10.3494 -1.40183 -57.0657 20.8148 -54.5266 -13.5446 TIMING: 4607600 CPU: 14642.1, 0.00317005/step Wall: 14642.1, 0.00317005/step, 0.345536 hours remaining, 239.328125 MB of memory in use. ENERGY: 4607600 4055.3485 20488.4769 14438.8327 245.6105 -203177.9729 2383.2738 0.0000 0.0000 52223.5931 -109342.8373 300.1297 -161566.4304 -108971.9790 299.8490 -154.3081 -128.0954 762202.0917 8.1672 8.1378 PRESSURE: 4607800 78.712 148.969 186.52 148.97 124.997 54.2474 186.52 54.2471 234.014 GPRESSURE: 4607800 147.479 94.2337 192.689 220.541 125.599 -11.9896 242.74 112.761 237.839 PRESSAVG: 4607800 -2.61845 -38.9615 42.1094 -38.9614 38.7301 0.864765 42.1094 0.864771 6.98897 GPRESSAVG: 4607800 -1.73583 -36.7202 40.9032 -39.3225 37.615 -0.465581 42.8563 1.98582 7.59676 TIMING: 4607800 CPU: 14642.7, 0.00317591/step Wall: 14642.7, 0.00317591/step, 0.345998 hours remaining, 239.328125 MB of memory in use. ENERGY: 4607800 3938.5829 20567.5700 14478.1302 230.0985 -203424.5790 2848.7978 0.0000 0.0000 52076.7133 -109284.6862 299.2856 -161361.3995 -108923.3333 300.0842 145.9077 170.3056 762343.0476 14.3669 14.4920 PRESSURE: 4608000 -188.047 -38.9713 18.9857 -38.9707 -336.17 -67.25 18.9846 -67.2488 157.725 GPRESSURE: 4608000 -150.257 41.9364 -1.41944 41.9893 -304.532 15.223 53.2856 -176.268 184.047 PRESSAVG: 4608000 -11.3137 -69.9543 35.6388 -69.9544 0.95066 18.9325 35.6388 18.9324 -9.64417 GPRESSAVG: 4608000 -11.8476 -70.9871 35.8502 -68.4286 1.15987 20.8027 33.6729 17.9904 -9.75937 TIMING: 4608000 CPU: 14643.4, 0.00318408/step Wall: 14643.4, 0.00318408/step, 0.346711 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4608000 3942.6428 20595.0899 14408.6875 242.1356 -203046.6979 2302.3951 0.0000 0.0000 52210.3648 -109345.3822 300.0537 -161555.7470 -108981.1294 300.1061 -122.1639 -90.2471 761126.2021 -6.6691 -6.8157 PRESSURE: 4608200 -121.653 -51.5544 -179.512 -51.5539 -234.888 154.15 -179.512 154.15 -232.264 GPRESSURE: 4608200 -52.6092 -180.366 -210.982 -211.689 -232.587 203.701 -207.723 80.2925 -226.646 PRESSAVG: 4608200 -44.1468 -14.246 27.036 -14.246 43.2707 33.9502 27.036 33.9502 5.004 GPRESSAVG: 4608200 -43.3126 -15.6337 27.6568 -15.8367 42.9322 31.644 28.4215 34.9212 4.4625 TIMING: 4608200 CPU: 14644, 0.00320743/step Wall: 14644, 0.00320743/step, 0.349076 hours remaining, 239.328125 MB of memory in use. ENERGY: 4608200 3965.4402 20509.8030 14456.2975 264.1346 -203200.1101 2445.1199 0.0000 0.0000 51998.5648 -109560.7499 298.8365 -161559.3147 -109203.4826 298.8411 -196.2683 -170.6141 761491.0418 1.3760 1.3607 LDB: ============= START OF LOAD BALANCING ============== 14656.4 LDB: ============== END OF LOAD BALANCING =============== 14656.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14656.4 LDB: ============= START OF LOAD BALANCING ============== 14656.7 LDB: Largest compute 7048 load 0.036312 is 18.5% of average load 0.195999 LDB: Average compute 0.004396 is 2.2% of average load 0.195999 LDB: TIME 14656.7 LOAD: AVG 0.195999 MAX 0.22336 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.188 MB LDB: TIME 14656.7 LOAD: AVG 0.195999 MAX 0.22336 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: TIME 14656.7 LOAD: AVG 0.195999 MAX 0.22336 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14656.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14656.8 PRESSURE: 4608400 276.088 103.122 59.0539 103.123 32.5642 -70.768 59.0536 -70.7676 257.088 GPRESSURE: 4608400 287.873 53.6273 95.7811 195.385 105.15 -80.5868 153.663 -137.696 254.823 PRESSAVG: 4608400 24.1803 4.46177 34.2978 4.46175 -10.2083 -13.1556 34.2978 -13.1556 -50.59 GPRESSAVG: 4608400 21.7124 7.54062 34.9386 3.98815 -10.2181 -11.5014 33.6725 -16.9017 -48.8445 TIMING: 4608400 CPU: 14644.7, 0.00325055/step Wall: 14644.7, 0.00325055/step, 0.353587 hours remaining, 237.843750 MB of memory in use. ENERGY: 4608400 3866.5473 20383.8527 14496.0248 230.8171 -203386.9179 2667.1982 0.0000 0.0000 52039.1965 -109703.2814 299.0700 -161742.4778 -109336.8140 298.9545 188.5801 215.9484 762161.6734 -12.2060 -12.4501 PRESSURE: 4608600 -159.825 150.225 36.5061 150.225 177.389 -13.0556 36.5054 -13.0553 2.15291 GPRESSURE: 4608600 -124.782 189.375 121.378 31.9938 199.478 -92.5149 109.766 23.5984 20.9265 PRESSAVG: 4608600 -25.3758 -48.2776 21.5408 -48.2776 56.0765 -73.1378 21.5407 -73.1378 6.27758 GPRESSAVG: 4608600 -24.0289 -49.2923 20.1923 -48.7492 55.8372 -72.8695 21.8606 -69.1563 4.91319 TIMING: 4608600 CPU: 14645.3, 0.00317559/step Wall: 14645.3, 0.00317559/step, 0.345257 hours remaining, 237.843750 MB of memory in use. ENERGY: 4608600 3899.7209 20515.6268 14418.0666 239.5098 -203617.1822 2615.9911 0.0000 0.0000 52216.1631 -109712.1039 300.0870 -161928.2671 -109350.5823 298.6960 6.5725 31.8742 761661.0025 12.3261 12.2405 PRESSURE: 4608800 94.9259 -224.238 86.3551 -224.236 -310.094 -87.32 86.3546 -87.3194 -216.604 GPRESSURE: 4608800 27.4827 -198.456 72.4463 -227.913 -263.87 -152.567 125.079 -71.0535 -95.9868 PRESSAVG: 4608800 7.1545 -22.7745 0.883598 -22.7745 30.0015 -70.9046 0.88361 -70.9046 6.35179 GPRESSAVG: 4608800 6.44877 -24.9918 1.07066 -21.1073 30.3062 -72.2191 2.80441 -71.2247 6.71355 TIMING: 4608800 CPU: 14645.9, 0.00316515/step Wall: 14645.9, 0.00316515/step, 0.343947 hours remaining, 237.843750 MB of memory in use. ENERGY: 4608800 4010.4148 20407.4608 14479.6012 238.9741 -203357.1365 2697.9838 0.0000 0.0000 51947.5188 -109575.1831 298.5431 -161522.7019 -109219.0907 299.1720 -143.9241 -110.7912 761748.1422 14.5026 14.4895 PRESSURE: 4609000 -300.258 150.454 57.7216 150.454 162.704 -59.7359 57.7213 -59.736 -62.6383 GPRESSURE: 4609000 -253.137 136.637 45.6733 108.269 255.875 15.1758 -56.7027 -99.9753 -107.116 PRESSAVG: 4609000 12.916 -16.1811 -17.6612 -16.1811 22.6801 -5.35437 -17.6612 -5.35432 -14.5523 GPRESSAVG: 4609000 12.7711 -13.8876 -15.6397 -16.5851 23.9453 -5.97835 -18.9281 -5.91979 -15.6998 TIMING: 4609000 CPU: 14646.6, 0.00318003/step Wall: 14646.6, 0.00318003/step, 0.345386 hours remaining, 237.843750 MB of memory in use. ENERGY: 4609000 4041.2280 20395.6735 14470.2080 238.3359 -203202.7910 2594.2359 0.0000 0.0000 52052.8621 -109410.2475 299.1485 -161463.1096 -109046.1825 299.2982 -66.7310 -34.7928 760168.8842 7.0146 7.0055 PRESSURE: 4609200 201.881 6.17443 -294.202 6.1746 -182.028 165.488 -294.201 165.488 184.058 GPRESSURE: 4609200 176.499 -5.4086 -347.031 38.7845 -166.247 172.205 -64.4864 189.523 251.986 PRESSAVG: 4609200 2.63732 -33.2257 46.4282 -33.2257 19.2424 -39.4757 46.4282 -39.4756 -24.3818 GPRESSAVG: 4609200 3.20381 -35.7427 44.5491 -33.8459 18.2385 -38.1002 46.2274 -40.6746 -23.7927 TIMING: 4609200 CPU: 14647.2, 0.00316751/step Wall: 14647.2, 0.00316751/step, 0.343851 hours remaining, 237.843750 MB of memory in use. ENERGY: 4609200 3988.2297 20432.1183 14511.6588 259.4987 -203508.8435 2610.6027 0.0000 0.0000 52130.5263 -109576.2090 299.5949 -161706.7353 -109209.9019 299.5851 67.9705 87.4129 760861.4157 -0.8340 -0.7835 PRESSURE: 4609400 -358.943 -203.022 -313.402 -203.022 -412.598 -35.2659 -313.4 -35.2657 -212.207 GPRESSURE: 4609400 -289.639 -203.738 -326.779 -175.142 -400.024 42.8113 -194.27 26.6083 -212.385 PRESSAVG: 4609400 -38.9449 9.39413 -8.26223 9.39409 39.5429 -59.6803 -8.26218 -59.6803 17.2236 GPRESSAVG: 4609400 -39.739 11.7029 -8.98082 10.8642 40.6779 -61.7005 -9.28749 -58.8279 17.4338 TIMING: 4609400 CPU: 14647.8, 0.00317494/step Wall: 14647.8, 0.00317494/step, 0.344481 hours remaining, 237.843750 MB of memory in use. ENERGY: 4609400 4008.7198 20595.2398 14499.0140 244.6641 -203040.3515 2304.7624 0.0000 0.0000 51822.3913 -109565.5602 297.8240 -161387.9515 -109203.6111 298.8492 -327.9161 -300.6826 763172.0786 5.9405 6.1242 PRESSURE: 4609600 -46.0915 -80.8923 64.748 -80.893 117.546 102.089 64.7487 102.091 -82.2322 GPRESSURE: 4609600 -56.3971 1.67748 111.404 -121.95 150.634 84.8757 158.003 -69.0204 -42.9477 PRESSAVG: 4609600 -40.6918 -0.260294 -9.71595 -0.260281 22.142 -46.1433 -9.71599 -46.1433 6.56546 GPRESSAVG: 4609600 -40.1756 -0.619177 -7.45819 0.143893 21.7262 -45.338 -9.94186 -47.3848 5.96271 TIMING: 4609600 CPU: 14648.5, 0.00319304/step Wall: 14648.5, 0.00319304/step, 0.346267 hours remaining, 237.843750 MB of memory in use. ENERGY: 4609600 3935.7212 20522.8872 14554.6110 242.1553 -202999.8827 2358.2387 0.0000 0.0000 52012.4876 -109373.7816 298.9165 -161386.2692 -109004.5173 299.1455 -3.5927 17.0965 762107.5049 -3.9948 -4.1622 PRESSURE: 4609800 8.04715 -89.0917 -76.4648 -89.0914 49.8992 -48.5412 -76.4638 -48.5414 -551.028 GPRESSURE: 4609800 19.1118 -142.357 -144.057 -2.7149 72.3071 -10.8026 -52.4548 -21.9406 -502.337 PRESSAVG: 4609800 -2.88203 -37.4925 -28.4161 -37.4924 23.2017 -16.3832 -28.416 -16.3831 -18.7054 GPRESSAVG: 4609800 -3.1252 -37.3744 -29.5957 -37.0499 23.2389 -15.2787 -26.7559 -16.136 -18.5979 TIMING: 4609800 CPU: 14649.1, 0.00316987/step Wall: 14649.1, 0.00316987/step, 0.343578 hours remaining, 237.843750 MB of memory in use. ENERGY: 4609800 3939.7581 20404.6721 14577.4154 266.7929 -202991.4146 2249.2740 0.0000 0.0000 51922.3158 -109631.1863 298.3983 -161553.5021 -109270.9638 298.8008 -164.3604 -136.9725 761646.9211 0.5381 0.5053 PRESSURE: 4610000 -296.571 281.318 220.327 281.318 -358.91 -143.875 220.327 -143.876 -369.496 GPRESSURE: 4610000 -149.623 220.717 250.737 162.716 -324.855 -126.718 165.972 -32.345 -459.353 PRESSAVG: 4610000 14.3043 -41.0502 -9.34064 -41.0503 -15.1443 -53.4486 -9.34068 -53.4487 -0.192012 GPRESSAVG: 4610000 15.2835 -39.4491 -9.42259 -43.5261 -16.5698 -55.4465 -11.17 -51.5166 0.205198 TIMING: 4610000 CPU: 14649.8, 0.00316912/step Wall: 14649.8, 0.00316912/step, 0.343321 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4610000 3980.2960 20577.1637 14426.8062 264.6467 -203362.7703 2568.3738 0.0000 0.0000 51925.1266 -109620.3573 298.4144 -161545.4839 -109265.9072 298.7897 -341.6590 -311.2769 762588.5059 -0.3440 -0.3603 PRESSURE: 4610200 -177.288 -123.155 -79.0175 -123.156 -122.465 -211.584 -79.0167 -211.585 202.663 GPRESSURE: 4610200 -117.815 -143.623 -87.0191 -61.8198 -34.3647 -170.304 35.5502 -177.968 157.339 PRESSAVG: 4610200 -0.94563 -40.5537 32.2913 -40.5537 -38.4503 -14.8563 32.2913 -14.8563 8.38424 GPRESSAVG: 4610200 -2.17936 -43.0455 30.6408 -38.0074 -36.8471 -15.3093 33.3465 -14.7222 7.35598 TIMING: 4610200 CPU: 14650.4, 0.00316812/step Wall: 14650.4, 0.00316812/step, 0.343037 hours remaining, 237.843750 MB of memory in use. ENERGY: 4610200 3916.7715 20336.0838 14475.8498 250.4686 -203230.8471 2399.1756 0.0000 0.0000 52367.8241 -109484.6736 300.9586 -161852.4978 -109125.7363 299.1442 -32.3635 1.7197 761709.9619 -10.3372 -10.5568 PRESSURE: 4610400 477.333 -38.3185 -128.877 -38.3182 205.577 100.495 -128.877 100.495 595.673 GPRESSURE: 4610400 501.334 -11.2729 -144.774 -70.2397 242.036 68.3217 -90.8741 28.7482 600.056 PRESSAVG: 4610400 -8.52289 -7.54198 -3.94912 -7.54197 32.4681 39.7676 -3.94905 39.7676 22.8981 GPRESSAVG: 4610400 -8.29674 -7.20294 -3.52852 -10.261 32.0153 41.0711 -2.60649 37.7884 23.3981 TIMING: 4610400 CPU: 14651, 0.00317296/step Wall: 14651, 0.00317296/step, 0.343385 hours remaining, 237.843750 MB of memory in use. ENERGY: 4610400 3885.6895 20478.7863 14455.5672 256.7385 -203255.6734 2728.5493 0.0000 0.0000 51861.6543 -109588.6883 298.0496 -161450.3426 -109232.7838 298.8470 426.1945 447.8085 761730.3451 15.6144 15.7055 PRESSURE: 4610600 0.956207 -272.712 61.8606 -272.711 75.2014 -349.566 61.8603 -349.567 -75.5576 GPRESSURE: 4610600 -77.5172 -290.302 95.5935 -307.949 184.585 -304.624 17.8353 -446.368 -35.1522 PRESSAVG: 4610600 -25.6422 -33.9796 -7.26434 -33.9795 3.88523 -50.8991 -7.26433 -50.899 6.41716 GPRESSAVG: 4610600 -25.8223 -33.5867 -5.30584 -32.5079 3.99787 -51.5901 -10.9342 -49.0559 6.0409 TIMING: 4610600 CPU: 14651.7, 0.00317394/step Wall: 14651.7, 0.00317394/step, 0.343315 hours remaining, 237.843750 MB of memory in use. ENERGY: 4610600 3996.0658 20462.9328 14413.4221 238.0966 -203265.1558 2805.9068 0.0000 0.0000 51957.2141 -109391.5175 298.5988 -161348.7316 -109032.0641 298.6597 0.2000 23.9719 763966.3931 -5.1133 -5.2612 PRESSURE: 4610800 303.339 18.2094 -38.9504 18.2102 313.807 194.734 -38.951 194.734 -263.64 GPRESSURE: 4610800 273.342 128.759 -79.4188 -7.04401 372.034 72.0496 34.8322 189.684 -209.42 PRESSAVG: 4610800 37.1745 -18.3749 7.87536 -18.3749 -34.1266 -38.0435 7.87532 -38.0434 18.8069 GPRESSAVG: 4610800 37.1452 -17.4558 4.98478 -17.4654 -33.5233 -39.8555 12.4756 -36.7702 18.4606 TIMING: 4610800 CPU: 14652.3, 0.00321334/step Wall: 14652.3, 0.00321334/step, 0.347398 hours remaining, 237.843750 MB of memory in use. ENERGY: 4610800 3991.6593 20242.6475 14443.3054 241.7227 -203630.6911 3067.4659 0.0000 0.0000 52175.4067 -109468.4836 299.8528 -161643.8903 -109112.8697 299.1462 117.8355 145.3189 761229.0347 7.2849 7.3608 PRESSURE: 4611000 -83.4509 22.0133 -304.809 22.0127 300.727 -144.524 -304.809 -144.523 122.612 GPRESSURE: 4611000 -40.8412 24.3049 -255.089 9.27393 289.837 -139.82 -399.348 -125.534 155.537 PRESSAVG: 4611000 25.7306 -28.8256 -5.63734 -28.8257 -31.19 -38.6523 -5.63736 -38.6523 -29.34 GPRESSAVG: 4611000 26.7518 -27.4637 -3.48945 -30.9609 -32.748 -35.6002 -10.226 -41.2797 -29.0899 TIMING: 4611000 CPU: 14652.9, 0.00322571/step Wall: 14652.9, 0.00322571/step, 0.348556 hours remaining, 237.843750 MB of memory in use. ENERGY: 4611000 3950.6358 20642.8948 14486.1017 228.1742 -203182.1104 2610.9763 0.0000 0.0000 51955.1366 -109308.1911 298.5869 -161263.3278 -108956.2303 299.1128 113.2960 134.8444 760806.9201 -11.5998 -11.6954 PRESSURE: 4611200 -47.5909 38.7237 271.662 38.7246 117.131 -8.92987 271.662 -8.92942 192.129 GPRESSURE: 4611200 41.821 46.3612 333.162 79.5568 55.8582 49.7702 140.229 -184.961 235.963 PRESSAVG: 4611200 44.5198 -3.29906 -58.5508 -3.29909 -19.4255 -49.6121 -58.5509 -49.6121 15.5758 GPRESSAVG: 4611200 43.2773 -4.10681 -58.5456 -3.08946 -19.741 -50.9221 -57.7542 -47.9627 16.8819 TIMING: 4611200 CPU: 14653.6, 0.00320407/step Wall: 14653.6, 0.00320407/step, 0.34604 hours remaining, 237.843750 MB of memory in use. ENERGY: 4611200 3897.9815 20444.0766 14482.2780 265.4993 -203451.1027 2686.0954 0.0000 0.0000 52412.9477 -109262.2242 301.2179 -161675.1719 -108906.1837 299.5894 87.2232 111.2141 762673.1300 13.5567 13.4727 PRESSURE: 4611400 25.3177 -202.491 -251.448 -202.491 -354.227 -279.005 -251.449 -279.005 109.244 GPRESSURE: 4611400 43.9885 -108.632 -210.917 -160.854 -223.118 -220.251 -273.012 -213.569 55.8788 PRESSAVG: 4611400 13.2932 -24.3816 19.0891 -24.3815 39.7293 -12.4461 19.0891 -12.446 -16.481 GPRESSAVG: 4611400 14.2857 -23.9078 19.6821 -23.8279 39.9287 -11.1472 19.9721 -12.6607 -16.9555 TIMING: 4611400 CPU: 14654.2, 0.00318648/step Wall: 14654.2, 0.00318648/step, 0.343963 hours remaining, 237.843750 MB of memory in use. ENERGY: 4611400 4000.0943 20519.8910 14471.0395 235.2703 -203172.1755 2381.6100 0.0000 0.0000 52353.0525 -109211.2180 300.8737 -161564.2704 -108844.0297 299.9193 -73.2218 -41.0836 761555.9758 12.1805 12.4196 PRESSURE: 4611600 135.695 1.22692 149.224 1.22651 81.5265 17.5127 149.225 17.513 -71.3633 GPRESSURE: 4611600 157.576 18.9777 97.8004 34.857 52.0174 95.3427 66.8922 -33.6241 15.0341 PRESSAVG: 4611600 -0.999856 7.9352 -2.28897 7.93518 -11.8343 8.083 -2.28895 8.083 2.60064 GPRESSAVG: 4611600 -0.03642 6.73124 -2.85681 6.8681 -11.5317 5.98202 -0.219303 10.3279 1.31298 TIMING: 4611600 CPU: 14654.9, 0.00319848/step Wall: 14654.9, 0.00319848/step, 0.345081 hours remaining, 237.843750 MB of memory in use. ENERGY: 4611600 3928.2427 20587.2592 14465.6273 241.9961 -203057.2208 2584.0178 0.0000 0.0000 51927.5518 -109322.5261 298.4284 -161250.0778 -108965.8028 299.8186 48.6194 74.8758 763031.4240 -3.4112 -3.4184 PRESSURE: 4611800 -145.344 -74.0408 -31.1135 -74.0409 -47.109 64.2191 -31.1143 64.2185 163.128 GPRESSURE: 4611800 -162.388 86.1537 48.6219 -48.1187 18.7144 54.722 -56.6184 71.3982 209.863 PRESSAVG: 4611800 -20.9189 -62.2618 -32.2923 -62.2617 27.5251 -37.6694 -32.2923 -37.6695 -1.90009 GPRESSAVG: 4611800 -21.5634 -61.5189 -33.2429 -59.7072 27.0495 -36.5364 -33.5192 -37.9418 -1.02198 TIMING: 4611800 CPU: 14655.5, 0.0031866/step Wall: 14655.5, 0.0031866/step, 0.343621 hours remaining, 237.843750 MB of memory in use. ENERGY: 4611800 3942.2317 20395.5219 14446.4945 237.7181 -202901.4310 2246.9877 0.0000 0.0000 52161.2546 -109471.2224 299.7714 -161632.4769 -109102.0587 299.2490 -9.7750 22.0632 763342.6135 1.5687 1.4880 PRESSURE: 4612000 -42.9297 -361.404 18.8732 -361.403 -86.0069 -97.1507 18.8738 -97.1509 -200.991 GPRESSURE: 4612000 -59.391 -325.53 -30.7834 -205.918 -40.8742 -74.5912 -4.10584 -137.085 -158.301 PRESSAVG: 4612000 29.8243 -5.08254 -5.50757 -5.08251 15.6348 -31.3436 -5.50754 -31.3436 3.71674 GPRESSAVG: 4612000 28.5666 -5.76057 -7.61929 -5.73429 16.8111 -30.3381 -5.63394 -34.4143 3.6237 TIMING: 4612000 CPU: 14656.1, 0.00322622/step Wall: 14656.1, 0.00322622/step, 0.347714 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4612000 3992.8272 20616.6766 14367.0227 259.6219 -203583.7747 2534.7214 0.0000 0.0000 52306.1172 -109506.7875 300.6040 -161812.9047 -109143.9907 299.5193 -109.9760 -86.1889 761354.0233 16.3920 16.3338 PRESSURE: 4612200 226.567 -80.3922 41.8897 -80.3918 94.8005 -317.842 41.8895 -317.841 22.6888 GPRESSURE: 4612200 199.856 -200.887 24.6006 -53.1677 196.227 -313.215 80.6112 -205.271 42.1628 PRESSAVG: 4612200 7.78733 -29.4638 12.2223 -29.4639 17.4978 -20.8002 12.2223 -20.8002 27.5792 GPRESSAVG: 4612200 7.82576 -30.5436 14.7678 -30.7036 17.1455 -22.2768 11.4852 -16.1748 28.0583 TIMING: 4612200 CPU: 14656.8, 0.00321391/step Wall: 14656.8, 0.00321391/step, 0.34621 hours remaining, 237.843750 MB of memory in use. ENERGY: 4612200 3981.0613 20473.1483 14392.6768 275.8921 -203705.6742 2840.1757 0.0000 0.0000 52266.8764 -109475.8437 300.3785 -161742.7201 -109108.0324 299.4016 114.6854 146.0820 760001.1600 17.6214 17.6765 LDB: ============= START OF LOAD BALANCING ============== 14669.2 LDB: ============== END OF LOAD BALANCING =============== 14669.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14669.2 LDB: ============= START OF LOAD BALANCING ============== 14669.5 LDB: Largest compute 7048 load 0.036336 is 18.5% of average load 0.195913 LDB: Average compute 0.004395 is 2.2% of average load 0.195913 LDB: TIME 14669.5 LOAD: AVG 0.195913 MAX 0.217775 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 14669.5 LOAD: AVG 0.195913 MAX 0.217775 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 14669.5 LOAD: AVG 0.195913 MAX 0.217775 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 14669.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14669.5 PRESSURE: 4612400 -12.8274 86.1988 -89.996 86.1992 -82.5707 -275.925 -89.9959 -275.925 -79.2562 GPRESSURE: 4612400 91.2356 48.5494 -148.606 69.829 -65.9245 -325.468 22.5975 -218.479 -96.9917 PRESSAVG: 4612400 -4.64422 36.9439 18.996 36.9439 32.4209 -21.8002 18.9959 -21.8002 -6.36022 GPRESSAVG: 4612400 -2.82231 38.513 18.6733 38.181 30.8261 -21.9657 20.5539 -24.8973 -6.94065 TIMING: 4612400 CPU: 14657.4, 0.00325695/step Wall: 14657.4, 0.00325695/step, 0.350665 hours remaining, 238.152344 MB of memory in use. ENERGY: 4612400 3970.2314 20563.0418 14451.8223 265.9247 -203312.4616 2514.8371 0.0000 0.0000 51940.2111 -109606.3931 298.5011 -161546.6042 -109241.8887 298.9527 -58.2181 -23.8935 761217.2117 7.1388 7.0211 PRESSURE: 4612600 -290.021 -204.421 22.4126 -204.421 -201.143 -21.1554 22.4126 -21.1559 151.029 GPRESSURE: 4612600 -128.266 -129.716 12.6645 -158.114 -273.265 62.3331 -30.1417 -77.4382 154.198 PRESSAVG: 4612600 30.9643 -15.1324 -28.9784 -15.1324 4.4822 -41.2175 -28.9784 -41.2175 -3.37404 GPRESSAVG: 4612600 30.5481 -14.9149 -29.1646 -16.9789 4.00651 -40.0011 -29.1559 -41.7981 -1.72392 TIMING: 4612600 CPU: 14658.1, 0.00314448/step Wall: 14658.1, 0.00314448/step, 0.338381 hours remaining, 238.152344 MB of memory in use. ENERGY: 4612600 4020.2224 20520.2379 14464.0947 232.5452 -203378.1782 2376.2670 0.0000 0.0000 52101.0863 -109663.7248 299.4257 -161764.8110 -109308.1869 299.2816 -113.3781 -82.4445 760601.0207 10.6908 10.9436 PRESSURE: 4612800 29.3041 13.8527 126.53 13.8534 -75.6503 -239.766 126.53 -239.767 299.773 GPRESSURE: 4612800 74.3789 35.7256 138.604 35.5522 -31.2093 -273.18 36.8029 -171.846 298.9 PRESSAVG: 4612800 10.9809 11.6259 7.05472 11.6259 -31.2638 -35.907 7.05467 -35.9069 25.2865 GPRESSAVG: 4612800 10.7284 9.67333 6.19191 12.6347 -30.0768 -37.2572 5.98991 -36.118 24.8845 TIMING: 4612800 CPU: 14658.7, 0.00318055/step Wall: 14658.7, 0.00318055/step, 0.342086 hours remaining, 238.152344 MB of memory in use. ENERGY: 4612800 4010.4469 20566.4604 14367.0386 240.6361 -203423.4002 2692.8914 0.0000 0.0000 52058.3874 -109487.5394 299.1803 -161545.9269 -109132.0035 299.0622 84.4755 114.0231 761168.5222 1.6679 1.8454 PRESSURE: 4613000 -426.305 -84.3632 98.1205 -84.3629 -346.868 206.798 98.1206 206.798 -182.539 GPRESSURE: 4613000 -398.289 -153.095 96.5714 -60.3235 -261.715 148.064 153.139 201.996 -216.562 PRESSAVG: 4613000 -8.07087 -80.9553 3.49035 -80.9553 2.95316 -9.45691 3.49034 -9.45696 14.233 GPRESSAVG: 4613000 -8.55203 -80.0369 2.74658 -81.6336 3.05766 -8.30985 6.06844 -8.47987 14.5415 TIMING: 4613000 CPU: 14659.3, 0.00315597/step Wall: 14659.3, 0.00315597/step, 0.339267 hours remaining, 238.152344 MB of memory in use. ENERGY: 4613000 3971.2863 20519.6804 14438.4112 238.4587 -203100.7039 2281.6151 0.0000 0.0000 52187.2243 -109464.0279 299.9207 -161651.2523 -109101.1626 299.2849 -318.5705 -292.1889 762850.3651 3.0384 3.0157 PRESSURE: 4613200 -17.9507 -162.931 40.5743 -162.93 -186.212 -78.0358 40.5739 -78.0363 80.6578 GPRESSURE: 4613200 56.1496 -242.507 67.4321 -153.387 -62.8227 -131.814 -27.5361 -129.07 -22.5874 PRESSAVG: 4613200 -3.47538 16.653 -26.7467 16.653 2.92047 -58.0935 -26.7466 -58.0935 -14.8398 GPRESSAVG: 4613200 -4.34659 15.5764 -24.0563 17.1697 4.10846 -57.9886 -28.9746 -59.4625 -14.965 TIMING: 4613200 CPU: 14660, 0.00318738/step Wall: 14660, 0.00318738/step, 0.342466 hours remaining, 238.152344 MB of memory in use. ENERGY: 4613200 4039.0024 20473.4488 14384.0310 249.1572 -202907.5224 2243.1885 0.0000 0.0000 52160.3245 -109358.3700 299.7661 -161518.6945 -108995.3232 299.1376 -41.1683 -9.7535 762421.8107 -5.1316 -5.0677 PRESSURE: 4613400 -250.844 -117.489 14.2422 -117.489 -251.623 131.498 14.242 131.498 36.8295 GPRESSURE: 4613400 -127.923 -183.829 -54.816 -83.9988 -247.823 106.426 -4.77114 146.76 -2.45048 PRESSAVG: 4613400 50.6519 -44.3981 -31.8214 -44.3982 -16.2516 -43.8901 -31.8214 -43.8901 -2.59118 GPRESSAVG: 4613400 51.7807 -43.7101 -31.2476 -44.2653 -17.2112 -45.3861 -36.2708 -43.4924 -2.74563 TIMING: 4613400 CPU: 14660.6, 0.00317062/step Wall: 14660.6, 0.00317062/step, 0.34049 hours remaining, 238.152344 MB of memory in use. ENERGY: 4613400 4006.2516 20610.3539 14464.3983 242.9552 -202994.4257 2393.9745 0.0000 0.0000 52054.7840 -109221.7081 299.1596 -161276.4921 -108862.5330 300.2656 -155.2125 -126.0653 763239.9254 10.6030 10.6079 PRESSURE: 4613600 176.481 95.738 111.33 95.7384 -260.431 40.2828 111.331 40.2826 150.617 GPRESSURE: 4613600 160.016 79.092 156.689 60.14 -159.194 -19.7365 126.235 23.851 133.404 PRESSAVG: 4613600 2.04702 -80.2316 -26.1247 -80.2315 -12.2704 6.73604 -26.1247 6.73616 10.0289 GPRESSAVG: 4613600 1.19745 -82.2808 -26.7833 -82.1052 -12.0244 5.42961 -22.5898 8.70631 10.4745 TIMING: 4613600 CPU: 14661.2, 0.00318645/step Wall: 14661.2, 0.00318645/step, 0.342012 hours remaining, 238.152344 MB of memory in use. ENERGY: 4613600 3938.4329 20605.3125 14474.7305 246.0980 -203543.2123 2838.7468 0.0000 0.0000 52167.2861 -109272.6053 299.8061 -161439.8914 -108908.0670 299.7638 22.2225 44.7422 761240.4019 -0.0648 -0.1175 PRESSURE: 4613800 -127.266 -123.402 -267.049 -123.402 -63.181 -100.439 -267.05 -100.439 -127.778 GPRESSURE: 4613800 -105.044 -122.137 -286.551 -3.68484 53.4444 -0.437449 -175.922 -115.849 -168.033 PRESSAVG: 4613800 24.0426 -38.1522 40.306 -38.1521 26.8731 -0.204209 40.306 -0.204177 17.9835 GPRESSAVG: 4613800 23.8686 -36.8109 40.3528 -36.9871 26.7747 1.45921 41.1515 -2.66713 17.633 TIMING: 4613800 CPU: 14661.9, 0.00317713/step Wall: 14661.9, 0.00317713/step, 0.340836 hours remaining, 238.152344 MB of memory in use. ENERGY: 4613800 3959.0439 20612.7482 14517.8058 269.2391 -203453.5393 2751.3921 0.0000 0.0000 52079.1990 -109264.1112 299.2999 -161343.3102 -108894.7955 299.6732 -106.0750 -73.2106 761946.3340 22.9664 22.7588 PRESSURE: 4614000 7.17493 -43.1388 -96.7167 -43.1396 324.327 200.831 -96.7168 200.83 -421.88 GPRESSURE: 4614000 79.5069 -46.8585 16.6367 -64.4161 318.078 317.741 -100.457 83.2999 -418.972 PRESSAVG: 4614000 19.5479 -25.9274 -21.6295 -25.9274 -5.52862 15.8247 -21.6295 15.8248 16.7673 GPRESSAVG: 4614000 20.395 -24.5516 -23.2011 -24.9807 -4.9981 15.9932 -21.1667 16.4356 15.5858 TIMING: 4614000 CPU: 14662.5, 0.0032011/step Wall: 14662.5, 0.0032011/step, 0.343229 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4614000 3913.6509 20625.1916 14429.5921 243.9487 -203172.5874 2502.5612 0.0000 0.0000 52154.2012 -109303.4417 299.7309 -161457.6429 -108938.9313 299.6885 -30.1260 -7.1288 761337.2624 10.2622 10.3276 PRESSURE: 4614200 -120.161 -56.1456 26.3964 -56.1455 77.9509 -154.59 26.3955 -154.59 231.779 GPRESSURE: 4614200 -1.96508 -116.806 103.891 -119.233 105.349 -185.479 -63.7759 -167.155 179.933 PRESSAVG: 4614200 6.59306 -5.4605 58.3252 -5.46061 1.90973 -28.2081 58.3253 -28.2081 -43.0313 GPRESSAVG: 4614200 6.1236 -5.43649 60.0149 -5.95828 1.91246 -28.2565 57.6216 -27.1926 -42.9965 TIMING: 4614200 CPU: 14663.2, 0.00318954/step Wall: 14663.2, 0.00318954/step, 0.341812 hours remaining, 238.152344 MB of memory in use. ENERGY: 4614200 3996.4931 20552.2394 14461.5342 254.3019 -203406.4542 2746.3425 0.0000 0.0000 52054.5365 -109341.0065 299.1581 -161395.5431 -108979.3638 299.2876 63.1896 94.4391 760357.4503 -11.5095 -11.6535 PRESSURE: 4614400 -154.256 -97.4272 105.589 -97.4269 107.115 -35.7948 105.59 -35.7954 -141.381 GPRESSURE: 4614400 -118.208 -79.7996 103.901 -112.382 42.4808 -4.54368 -24.4722 -44.2761 -45.5616 PRESSAVG: 4614400 80.6022 27.3683 67.6246 27.3682 -27.3323 -0.260473 67.6245 -0.260487 -1.5688 GPRESSAVG: 4614400 80.5875 26.8165 66.7196 27.3126 -28.0191 -0.582373 65.8861 0.666106 -1.12766 TIMING: 4614400 CPU: 14663.8, 0.00318867/step Wall: 14663.8, 0.00318867/step, 0.341542 hours remaining, 238.152344 MB of memory in use. ENERGY: 4614400 4144.1660 20449.1285 14432.5628 254.5942 -202969.1409 2188.0962 0.0000 0.0000 52092.0851 -109408.5081 299.3739 -161500.5932 -109049.5974 299.6314 -62.8408 -40.4297 758797.3994 17.2337 17.1469 PRESSURE: 4614600 -77.9121 -54.4035 168.191 -54.4044 -235.225 -66.3528 168.192 -66.3542 12.6668 GPRESSURE: 4614600 -49.9367 -66.625 144.214 -134.016 -212.76 -61.4612 21.9798 -139.703 49.3236 PRESSAVG: 4614600 73.0421 -31.4913 8.82 -31.4914 -42.5068 -0.0873254 8.82003 -0.0872586 -6.11999 GPRESSAVG: 4614600 72.5928 -31.2209 10.4603 -31.6727 -42.3762 0.610928 8.95751 -2.79828 -5.78953 TIMING: 4614600 CPU: 14664.4, 0.00320396/step Wall: 14664.4, 0.00320396/step, 0.343001 hours remaining, 238.152344 MB of memory in use. ENERGY: 4614600 4037.3210 20465.4239 14533.9376 237.5215 -203346.6112 2715.5187 0.0000 0.0000 51920.9212 -109435.9673 298.3902 -161356.8885 -109070.9305 299.0771 -100.1569 -71.1243 760837.5058 8.1384 8.1424 PRESSURE: 4614800 -168.731 -191.15 16.1433 -191.15 79.3701 45.7054 16.1426 45.706 89.5856 GPRESSURE: 4614800 -102.932 -289.645 117.781 -75.966 111.82 31.654 -109.873 -9.08889 70.5334 PRESSAVG: 4614800 62.8723 -42.7903 28.0383 -42.7902 -74.4422 -25.3286 28.0383 -25.3286 2.78167 GPRESSAVG: 4614800 62.9474 -43.509 26.9018 -42.9759 -74.9777 -27.0538 30.3382 -23.3448 2.71096 TIMING: 4614800 CPU: 14665.1, 0.00322585/step Wall: 14665.1, 0.00322585/step, 0.345166 hours remaining, 238.152344 MB of memory in use. ENERGY: 4614800 4017.1215 20384.8256 14447.5628 228.2349 -203609.1369 2861.7331 0.0000 0.0000 52317.6640 -109351.9949 300.6703 -161669.6590 -109000.1051 299.2984 0.0750 26.4737 759266.5344 -2.9294 -3.1064 PRESSURE: 4615000 -429.298 -231.224 -313.463 -231.224 -179.167 141.864 -313.464 141.864 -162.51 GPRESSURE: 4615000 -485.321 -172.378 -194.059 -231.045 -89.2971 111.427 -249.986 71.4228 -100.157 PRESSAVG: 4615000 15.9618 -48.8073 27.3055 -48.8073 -2.22671 16.5255 27.3055 16.5256 -12.3872 GPRESSAVG: 4615000 15.4147 -46.723 27.5459 -49.2575 -1.62272 16.7421 26.0925 15.5993 -12.3209 TIMING: 4615000 CPU: 14665.7, 0.00318861/step Wall: 14665.7, 0.00318862/step, 0.341005 hours remaining, 238.152344 MB of memory in use. ENERGY: 4615000 4007.8461 20427.6535 14446.7724 243.7254 -202824.3906 2300.8900 0.0000 0.0000 51968.8882 -109428.6150 298.6659 -161397.5032 -109069.1273 299.3591 -256.9916 -224.9250 762976.5844 0.4493 0.4904 PRESSURE: 4615200 -22.6973 416.828 -37.2982 416.828 17.8565 -59.6498 -37.2985 -59.6489 266.165 GPRESSURE: 4615200 -34.7849 418.49 1.11648 357.129 70.7877 -76.9 -99.8902 -34.0103 293.042 PRESSAVG: 4615200 -21.3129 -4.181 -24.025 -4.18104 27.9263 -67.5936 -24.025 -67.5936 14.0049 GPRESSAVG: 4615200 -21.239 -6.43262 -22.7383 -3.79575 28.204 -67.0571 -25.8164 -66.9008 13.7103 TIMING: 4615200 CPU: 14666.4, 0.00317903/step Wall: 14666.4, 0.00317903/step, 0.339803 hours remaining, 238.152344 MB of memory in use. ENERGY: 4615200 3919.2800 20536.3880 14472.7904 237.1536 -202990.8663 2520.8441 0.0000 0.0000 51880.8660 -109423.5441 298.1601 -161304.4101 -109060.8330 299.1691 87.1081 109.6816 764555.2739 6.8727 6.8918 PRESSURE: 4615400 120.863 -107.324 109.784 -107.324 -244.305 -97.1514 109.784 -97.1508 348.738 GPRESSURE: 4615400 174.26 -135.429 157.846 -142.354 -204.307 -57.5207 129.486 7.62934 335.163 PRESSAVG: 4615400 32.3625 29.3636 -8.11555 29.3636 -7.82108 11.3857 -8.11553 11.3857 11.2051 GPRESSAVG: 4615400 31.5768 30.0536 -10.1173 28.7337 -7.82537 11.7117 -4.85346 10.8068 11.622 TIMING: 4615400 CPU: 14667, 0.00318785/step Wall: 14667, 0.00318785/step, 0.340568 hours remaining, 238.152344 MB of memory in use. ENERGY: 4615400 3923.8103 20432.9857 14397.7968 247.3459 -203229.9902 2758.2652 0.0000 0.0000 52090.3521 -109379.4342 299.3640 -161469.7864 -109012.4911 299.4626 75.0986 101.7053 762221.5160 11.9155 11.7912 PRESSURE: 4615600 -349.153 63.2913 -92.8279 63.2924 31.4648 -42.6152 -92.829 -42.616 24.4233 GPRESSURE: 4615600 -228.372 100.03 2.4538 -34.4499 44.4967 29.9023 -59.2398 14.205 0.843745 PRESSAVG: 4615600 26.0376 27.3193 -0.699754 27.3194 -12.3987 -9.17232 -0.699798 -9.17222 -8.27172 GPRESSAVG: 4615600 27.5784 26.5082 2.12646 27.111 -13.4054 -9.32739 -1.55661 -10.8788 -8.90829 TIMING: 4615600 CPU: 14667.6, 0.00321673/step Wall: 14667.6, 0.00321673/step, 0.343476 hours remaining, 238.152344 MB of memory in use. ENERGY: 4615600 3966.9344 20568.0356 14465.4848 224.8869 -203121.4740 2487.9222 0.0000 0.0000 52097.4572 -109310.7530 299.4048 -161408.2102 -108954.3849 299.4814 -97.7548 -61.0107 763116.7349 1.7891 1.7549 PRESSURE: 4615800 133.798 1.79163 -84.3884 1.79091 -21.5105 -119.225 -84.3874 -119.226 157.087 GPRESSURE: 4615800 63.5682 34.295 -62.3403 -55.7239 49.0563 -205.651 -39.3566 -86.9719 262.235 PRESSAVG: 4615800 -30.3839 12.0647 15.3333 12.0647 39.3536 -0.303546 15.3333 -0.3036 -12.2532 GPRESSAVG: 4615800 -31.7416 12.1516 12.4473 13.0577 40.4672 0.594034 14.3308 0.108244 -12.3073 TIMING: 4615800 CPU: 14668.3, 0.00315581/step Wall: 14668.3, 0.00315581/step, 0.336796 hours remaining, 238.152344 MB of memory in use. ENERGY: 4615800 3993.0439 20231.5147 14419.9113 252.8615 -203240.7123 2635.2710 0.0000 0.0000 52333.6561 -109374.4538 300.7622 -161708.1099 -109007.7089 299.4992 89.7915 124.9533 761580.0492 -1.0945 -1.1939 PRESSURE: 4616000 -45.2305 29.8537 -202.083 29.8535 271.174 -73.2935 -202.082 -73.2948 145.524 GPRESSURE: 4616000 25.5728 83.0498 -61.9989 8.05965 285.404 -70.4063 -217.446 -174.955 135.777 PRESSAVG: 4616000 29.4352 16.4267 3.57251 16.4268 -29.266 -25.0577 3.5725 -25.0578 21.356 GPRESSAVG: 4616000 31.216 15.682 6.29123 16.5737 -29.5113 -25.242 4.08662 -24.9591 20.2905 TIMING: 4616000 CPU: 14668.9, 0.0031683/step Wall: 14668.9, 0.0031683/step, 0.337952 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4616000 3918.6627 20476.3119 14508.9795 248.9378 -203244.4860 2621.7219 0.0000 0.0000 52115.6947 -109354.1775 299.5096 -161469.8722 -108984.8569 299.6181 123.8228 148.9181 761912.2563 7.1751 7.3317 PRESSURE: 4616200 -305.149 198.902 50.8403 198.902 -34.4263 -112.476 50.8395 -112.477 -174.108 GPRESSURE: 4616200 -253.918 202.033 58.0479 175.187 -22.2025 -93.5423 16.6842 -92.2443 -169.503 PRESSAVG: 4616200 39.7989 25.2889 5.51997 25.2888 -46.0255 -63.867 5.51995 -63.8669 -0.314719 GPRESSAVG: 4616200 39.1475 28.0924 4.70811 25.6154 -47.2713 -63.8785 6.28964 -65.0869 1.00112 TIMING: 4616200 CPU: 14669.5, 0.00318849/step Wall: 14669.5, 0.00318849/step, 0.339928 hours remaining, 238.152344 MB of memory in use. ENERGY: 4616200 4038.5523 20604.3078 14530.3360 241.2121 -203364.5728 2644.9836 0.0000 0.0000 51870.6263 -109434.5547 298.1012 -161305.1810 -109077.7491 299.2070 -171.2280 -148.5411 762496.4848 -2.1804 -2.3742 LDB: ============= START OF LOAD BALANCING ============== 14681.9 LDB: ============== END OF LOAD BALANCING =============== 14681.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14681.9 LDB: ============= START OF LOAD BALANCING ============== 14682.3 LDB: Largest compute 7048 load 0.036591 is 18.7% of average load 0.195967 LDB: Average compute 0.004392 is 2.2% of average load 0.195967 LDB: TIME 14682.3 LOAD: AVG 0.195967 MAX 0.221838 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 14682.3 LOAD: AVG 0.195967 MAX 0.221838 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 14682.3 LOAD: AVG 0.195967 MAX 0.221838 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 14682.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14682.3 PRESSURE: 4616400 299.74 -97.7398 -64.6451 -97.7402 -264.867 -76.7311 -64.6438 -76.7296 214.519 GPRESSURE: 4616400 281.578 -81.9142 -31.2962 -51.5191 -173.196 -136.828 -104.71 -18.6779 227.61 PRESSAVG: 4616400 42.3157 7.91081 3.20123 7.91076 -16.517 12.1994 3.20125 12.1994 17.4383 GPRESSAVG: 4616400 42.3321 6.34143 2.48682 6.89318 -15.8967 11.377 1.40709 14.5469 16.6948 TIMING: 4616400 CPU: 14670.2, 0.00328235/step Wall: 14670.2, 0.00328235/step, 0.349752 hours remaining, 237.332031 MB of memory in use. ENERGY: 4616400 3903.9206 20482.8586 14503.8048 244.6077 -203229.9229 2614.6174 0.0000 0.0000 52021.0800 -109459.0338 298.9659 -161480.1138 -109100.6488 298.8756 83.1308 111.9974 762496.7478 14.4123 14.3767 PRESSURE: 4616600 124.399 223.844 -57.5153 223.845 98.6135 4.59751 -57.5147 4.59653 -43.52 GPRESSURE: 4616600 178.429 185.651 -58.3424 223.662 186.938 30.9348 -34.0134 12.9534 -99.9425 PRESSAVG: 4616600 -9.30859 -2.06397 39.6533 -2.06396 0.185923 4.51705 39.6534 4.51705 -3.05402 GPRESSAVG: 4616600 -8.56936 -1.67377 38.5977 -2.04312 -0.203549 5.12657 41.9291 3.74724 -3.23793 TIMING: 4616600 CPU: 14670.8, 0.00322284/step Wall: 14670.8, 0.00322284/step, 0.343233 hours remaining, 237.332031 MB of memory in use. ENERGY: 4616600 3955.5594 20525.4115 14378.4652 238.5508 -203252.8958 2752.6313 0.0000 0.0000 51957.8665 -109444.4111 298.6026 -161402.2776 -109080.6445 298.5827 59.8307 88.4748 762015.6861 -4.0589 -4.0036 PRESSURE: 4616800 276.797 149.361 -95.6869 149.361 -226.823 137.287 -95.6872 137.286 146.856 GPRESSURE: 4616800 225.11 135.26 -65.6927 100.702 -109.769 152.029 -121.456 85.5093 192.145 PRESSAVG: 4616800 39.5557 38.6207 -6.34895 38.6208 -56.2051 15.4808 -6.34899 15.4809 -0.894632 GPRESSAVG: 4616800 40.0361 40.7443 -5.98085 36.7778 -56.5344 15.6258 -7.6117 15.3373 -0.951177 TIMING: 4616800 CPU: 14671.5, 0.00321424/step Wall: 14671.5, 0.00321424/step, 0.342138 hours remaining, 237.332031 MB of memory in use. ENERGY: 4616800 3965.0150 20422.2015 14404.9557 232.2939 -202813.3228 2627.5029 0.0000 0.0000 51829.8457 -109331.5081 297.8668 -161161.3538 -108976.1880 299.1109 65.6103 102.4954 761379.4596 -5.8480 -5.8165 PRESSURE: 4617000 65.3386 -40.4311 241.169 -40.4305 -461.495 172.315 241.17 172.314 -173.805 GPRESSURE: 4617000 16.6935 -71.1484 228.245 -84.4093 -368.197 170.215 76.1712 161.307 -145.781 PRESSAVG: 4617000 26.6173 -8.76362 3.21767 -8.76361 -56.5762 -6.03429 3.21763 -6.03424 2.85134 GPRESSAVG: 4617000 24.3351 -10.2391 3.24651 -6.71007 -54.037 -7.39024 2.64812 -5.03465 2.78353 TIMING: 4617000 CPU: 14672.1, 0.00321252/step Wall: 14672.1, 0.00321252/step, 0.341777 hours remaining, 237.332031 MB of memory in use. ENERGY: 4617000 4016.4308 20442.6117 14402.0356 234.6870 -203059.3161 2559.0504 0.0000 0.0000 51914.4342 -109490.0665 298.3530 -161404.5007 -109138.4488 298.5387 -189.9871 -165.7614 763319.2825 -9.0359 -8.9728 PRESSURE: 4617200 42.15 -42.8478 -66.6505 -42.8477 61.1401 161.815 -66.6504 161.814 227.816 GPRESSURE: 4617200 200.902 36.5566 -104.31 8.48819 -10.5094 156.986 84.6662 52.6563 219.782 PRESSAVG: 4617200 63.7927 -19.8456 -8.02994 -19.8456 -26.2199 7.09591 -8.02998 7.096 -8.58549 GPRESSAVG: 4617200 64.6697 -20.9 -9.51803 -20.6005 -27.6129 7.97757 -7.36265 6.00689 -7.60064 TIMING: 4617200 CPU: 14672.8, 0.00318648/step Wall: 14672.8, 0.00318648/step, 0.338829 hours remaining, 237.332031 MB of memory in use. ENERGY: 4617200 3934.6726 20355.1512 14409.5809 259.0435 -202867.8363 2516.7016 0.0000 0.0000 51929.7477 -109462.9389 298.4410 -161392.6866 -109092.0421 298.7430 110.3687 136.7248 759932.8236 9.6624 9.8187 PRESSURE: 4617400 195.256 -243.075 -21.7788 -243.076 55.9791 -33.0491 -21.7792 -33.0499 -470.637 GPRESSURE: 4617400 258.429 -279.894 -38.4043 -303.301 55.1966 -9.59852 -72.6699 -76.0726 -460.18 PRESSAVG: 4617400 -10.4075 -74.3153 22.5912 -74.3152 19.9098 11.5711 22.5912 11.5712 25.9485 GPRESSAVG: 4617400 -9.10806 -73.5466 21.9547 -73.2096 18.8816 10.6902 23.8045 11.468 24.7233 TIMING: 4617400 CPU: 14673.4, 0.00320847/step Wall: 14673.4, 0.00320847/step, 0.340989 hours remaining, 237.332031 MB of memory in use. ENERGY: 4617400 3923.3199 20330.4827 14416.3560 243.1150 -202824.9335 2354.4926 0.0000 0.0000 51980.4429 -109576.7244 298.7323 -161557.1673 -109204.0846 298.2941 -73.1338 -48.8514 760475.6919 11.8169 11.4989 PRESSURE: 4617600 -270.398 -181.692 194.518 -181.693 101.741 46.3114 194.516 46.3117 191.48 GPRESSURE: 4617600 -134.047 -158.819 191.983 -215.159 120.503 142.319 162.872 11.6199 145.637 PRESSAVG: 4617600 7.88353 -41.8346 80.8461 -41.8345 -73.0458 81.2608 80.8462 81.2608 -6.41567 GPRESSAVG: 4617600 6.15326 -43.9375 83.2522 -42.9589 -71.9532 81.2432 78.4454 82.1481 -5.85239 TIMING: 4617600 CPU: 14674, 0.0031801/step Wall: 14674, 0.0031801/step, 0.337798 hours remaining, 237.332031 MB of memory in use. ENERGY: 4617600 3966.3651 20352.7439 14365.6979 251.7136 -202979.8734 2610.7776 0.0000 0.0000 52064.0363 -109368.5389 299.2127 -161432.5752 -109005.0660 298.0548 7.6074 44.0311 762310.7658 -23.8593 -23.8841 PRESSURE: 4617800 119.433 -167.675 153.631 -167.674 -51.694 56.6952 153.63 56.6963 -291.08 GPRESSURE: 4617800 113.922 -141.823 75.5621 -139.296 -53.8885 -20.6854 164.14 39.0781 -209.53 PRESSAVG: 4617800 -28.3005 -53.0032 -26.6712 -53.0032 -4.45607 74.216 -26.6712 74.216 -15.4303 GPRESSAVG: 4617800 -26.5312 -51.0607 -26.8536 -49.9963 -5.3567 74.1486 -27.2341 72.2246 -15.6759 TIMING: 4617800 CPU: 14674.7, 0.00317818/step Wall: 14674.7, 0.00317818/step, 0.337417 hours remaining, 237.332031 MB of memory in use. ENERGY: 4617800 4030.5234 20445.4859 14471.0908 242.5293 -203029.4295 2568.4350 0.0000 0.0000 51923.5047 -109347.8603 298.4051 -161271.3650 -108996.3652 298.4885 -74.4469 -49.8321 763630.0098 -16.0623 -15.8546 PRESSURE: 4618000 -71.8727 -52.1192 -340.616 -52.1194 -296.479 17.7458 -340.614 17.7464 123.635 GPRESSURE: 4618000 -21.7984 -152.844 -298.429 22.2638 -286.773 -60.0982 -361.077 102.825 129.919 PRESSAVG: 4618000 31.2022 -22.8953 -19.585 -22.8953 -14.6649 66.776 -19.5851 66.776 -13.1978 GPRESSAVG: 4618000 30.7599 -24.1805 -20.8143 -24.0782 -14.2693 67.0578 -17.9927 67.086 -12.8954 TIMING: 4618000 CPU: 14675.3, 0.00317299/step Wall: 14675.3, 0.00317299/step, 0.33669 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4618000 4022.9327 20491.2547 14418.5434 245.3985 -203333.5967 2671.2804 0.0000 0.0000 52194.4313 -109289.7557 299.9621 -161484.1870 -108932.1019 299.5448 -81.5721 -59.5508 760940.2521 1.1131 1.1984 PRESSURE: 4618200 -328.003 157.399 146.977 157.4 143.133 31.04 146.976 31.0407 -222.98 GPRESSURE: 4618200 -200.262 155.842 153.829 55.3475 152.045 56.7264 116.612 30.331 -257.655 PRESSAVG: 4618200 -3.22758 -15.9334 -7.1258 -15.9335 -35.9851 -1.01684 -7.12572 -1.01695 -16.307 GPRESSAVG: 4618200 -1.82054 -14.9923 -6.16849 -16.1779 -38.2392 -1.40547 -8.0283 0.323266 -15.2572 TIMING: 4618200 CPU: 14675.9, 0.00318127/step Wall: 14675.9, 0.00318127/step, 0.337391 hours remaining, 237.332031 MB of memory in use. ENERGY: 4618200 4034.5093 20418.6410 14426.8876 255.6121 -202762.5896 2580.6684 0.0000 0.0000 52049.7683 -108996.5029 299.1307 -161046.2712 -108635.4935 299.5146 -135.9504 -101.9573 764384.7128 -18.5065 -18.4390 PRESSURE: 4618400 146.866 34.7013 67.4201 34.7013 29.4893 34.5668 67.4201 34.5675 259.732 GPRESSURE: 4618400 81.9737 34.5063 43.0666 -44.0728 209.485 -41.8197 -34.8973 -0.932388 227.517 PRESSAVG: 4618400 -15.7654 6.49109 40.7606 6.49107 32.257 29.7085 40.7606 29.7086 11.0187 GPRESSAVG: 4618400 -17.5231 5.11088 41.5001 5.72321 34.4377 29.0617 41.6452 29.2959 10.5417 TIMING: 4618400 CPU: 14676.6, 0.00320103/step Wall: 14676.6, 0.00320103/step, 0.339309 hours remaining, 237.332031 MB of memory in use. ENERGY: 4618400 4026.3974 20460.1175 14399.6401 238.9754 -203096.6131 2716.8124 0.0000 0.0000 52271.9680 -108982.7022 300.4077 -161254.6702 -108620.8167 299.4965 145.3625 172.9916 762468.1861 9.1701 9.1521 PRESSURE: 4618600 -59.1596 97.471 -70.0746 97.4716 -285.447 -59.9565 -70.0752 -59.9559 60.246 GPRESSURE: 4618600 -81.2438 74.0771 -101.181 120.543 -205.051 -0.526442 -64.2964 4.91409 86.7871 PRESSAVG: 4618600 -4.95094 -2.88361 12.1309 -2.88359 -12.701 -14.3856 12.1309 -14.3856 2.47719 GPRESSAVG: 4618600 -6.00563 -3.16886 11.0243 -2.41491 -12.3435 -12.7392 10.6963 -14.7281 2.35708 TIMING: 4618600 CPU: 14677.2, 0.00318817/step Wall: 14677.2, 0.00318817/step, 0.337769 hours remaining, 237.332031 MB of memory in use. ENERGY: 4618600 3964.4234 20639.2618 14411.7057 252.1670 -202767.1892 2310.5474 0.0000 0.0000 52145.4024 -109043.6815 299.6803 -161189.0839 -108687.2160 299.5332 -94.7870 -66.5027 761796.6274 -5.0582 -5.3307 PRESSURE: 4618800 293.199 -92.2731 -183.352 -92.2731 346.694 14.8115 -183.352 14.8126 333.382 GPRESSURE: 4618800 361.316 -88.9454 -128.297 -115.772 301.216 72.6386 -156.276 49.585 382.283 PRESSAVG: 4618800 26.9396 -14.3287 -30.9798 -14.3287 4.81571 33.6033 -30.9798 33.6033 -4.97647 GPRESSAVG: 4618800 26.5621 -14.0441 -29.6924 -14.7704 5.31146 32.6563 -28.7549 34.8169 -4.1822 TIMING: 4618800 CPU: 14677.9, 0.00320672/step Wall: 14677.9, 0.00320672/step, 0.339556 hours remaining, 237.332031 MB of memory in use. ENERGY: 4618800 3931.9134 20546.0588 14537.8376 240.9017 -203476.9235 3212.1020 0.0000 0.0000 52057.8895 -108950.2205 299.1774 -161008.1100 -108587.0881 299.9000 324.4248 348.2715 761532.3941 8.9263 9.2304 PRESSURE: 4619000 -91.9763 -177.003 32.0295 -177.002 -13.6043 -170.435 32.0293 -170.436 42.6853 GPRESSURE: 4619000 -25.1919 -106.199 36.694 -63.9351 -115.819 -197.391 -63.7396 -179.999 160.958 PRESSAVG: 4619000 24.0155 3.72769 -76.9774 3.72764 -42.4792 35.5829 -76.9774 35.5829 -22.6723 GPRESSAVG: 4619000 26.0527 4.58947 -78.9226 4.26357 -44.3917 37.0527 -77.703 34.8978 -23.0877 TIMING: 4619000 CPU: 14678.5, 0.00317458/step Wall: 14678.5, 0.00317458/step, 0.335977 hours remaining, 237.332031 MB of memory in use. ENERGY: 4619000 3994.6652 20594.2169 14418.2660 242.8573 -202526.5336 2237.2974 0.0000 0.0000 51815.0978 -109224.1330 297.7821 -161039.2308 -108865.7445 299.2975 -20.9651 6.6491 762243.0362 -13.7120 -13.8089 PRESSURE: 4619200 -185.752 -45.3389 65.883 -45.3387 -205.999 -3.77902 65.8826 -3.77933 168.244 GPRESSURE: 4619200 -117.592 -81.1954 60.8154 -24.2815 -190.876 19.2667 245.295 -78.6256 189.46 PRESSAVG: 4619200 -5.7991 19.535 3.24449 19.535 -10.3397 36.0481 3.24445 36.048 -10.7176 GPRESSAVG: 4619200 -5.53716 18.4923 2.96496 19.8594 -10.2231 34.482 3.3526 36.9166 -11.3908 TIMING: 4619200 CPU: 14679.1, 0.00321579/step Wall: 14679.1, 0.00321579/step, 0.34016 hours remaining, 237.332031 MB of memory in use. ENERGY: 4619200 4004.5141 20468.1595 14509.9533 252.2995 -202867.8443 2356.1339 0.0000 0.0000 51990.2107 -109286.5734 298.7885 -161276.7840 -108923.3703 299.0938 -74.5022 -39.6692 760966.9941 -8.9521 -9.0504 PRESSURE: 4619400 -269.291 154.697 38.644 154.697 -636.279 -32.6239 38.6436 -32.6241 -577.661 GPRESSURE: 4619400 -225.552 170.683 -21.8811 97.6643 -561.081 -102.093 -83.8151 -112.1 -608.716 PRESSAVG: 4619400 9.8401 -16.0381 -24.2137 -16.038 22.6888 6.4385 -24.2136 6.43847 6.71947 GPRESSAVG: 4619400 9.60773 -15.5516 -22.2943 -17.732 23.4068 5.53927 -25.9271 6.89215 6.49009 TIMING: 4619400 CPU: 14679.8, 0.00318513/step Wall: 14679.8, 0.00318513/step, 0.336739 hours remaining, 237.332031 MB of memory in use. ENERGY: 4619400 3971.0531 20531.5172 14423.9181 247.4955 -202716.9309 2147.5613 0.0000 0.0000 52014.1597 -109381.2259 298.9261 -161395.3856 -109011.1652 299.3216 -494.4104 -465.1165 763062.6845 13.0828 13.1682 PRESSURE: 4619600 300.578 -51.9546 34.5992 -51.9539 169.921 -13.3992 34.5989 -13.3983 411.154 GPRESSURE: 4619600 433.133 -73.0838 -17.1806 -29.318 207.231 -17.8442 129.164 -20.4396 316.21 PRESSAVG: 4619600 77.1543 1.09929 20.0184 1.09934 -37.8088 38.7039 20.0185 38.7039 1.22164 GPRESSAVG: 4619600 76.5773 0.553777 19.7528 3.08216 -38.2981 39.5785 22.3875 38.0696 1.9968 TIMING: 4619600 CPU: 14680.4, 0.00316904/step Wall: 14680.4, 0.00316904/step, 0.334862 hours remaining, 237.332031 MB of memory in use. ENERGY: 4619600 3999.6150 20524.4859 14490.8572 244.9881 -203170.4138 2752.8056 0.0000 0.0000 51907.5204 -109250.1416 298.3132 -161157.6620 -108893.4914 299.2319 293.8847 318.8578 760842.5482 13.5224 13.4253 PRESSURE: 4619800 -36.4706 1.70122 -149.198 1.70054 3.65441 -157.868 -149.199 -157.867 185.857 GPRESSURE: 4619800 77.5123 70.4223 -230.543 -42.8003 22.8129 -215.295 -172.103 -67.9903 148.019 PRESSAVG: 4619800 68.3101 -30.1998 -1.89488 -30.1999 -43.3885 48.0722 -1.89485 48.0721 -2.61079 GPRESSAVG: 4619800 68.6704 -30.1577 -1.16972 -30.746 -42.3763 46.9906 -4.01115 47.3203 -3.39195 TIMING: 4619800 CPU: 14681, 0.00315623/step Wall: 14681, 0.00315623/step, 0.333332 hours remaining, 237.332031 MB of memory in use. ENERGY: 4619800 3999.8122 20221.6805 14455.8642 240.7886 -203075.2013 2471.9907 0.0000 0.0000 52207.8550 -109477.2102 300.0393 -161685.0652 -109110.6596 299.0561 51.0137 82.7815 760228.7905 7.4369 7.6341 PRESSURE: 4620000 -46.7864 -39.1655 130.27 -39.166 127.546 -16.8023 130.27 -16.8009 -211.71 GPRESSURE: 4620000 -92.7434 -148.581 62.1345 -15.9079 230.744 -38.5182 110.424 151.34 -196.438 PRESSAVG: 4620000 32.1938 -40.0416 -63.1797 -40.0416 -10.5015 60.4433 -63.1797 60.4434 -19.8409 GPRESSAVG: 4620000 30.4433 -39.8509 -63.1273 -39.8945 -9.41661 62.4174 -63.0084 62.9088 -18.9373 TIMING: 4620000 CPU: 14681.7, 0.00319356/step Wall: 14681.7, 0.00319356/step, 0.337098 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4620000 3956.9673 20655.3844 14478.7131 243.6439 -203158.5256 2287.2189 0.0000 0.0000 52140.0936 -109396.5044 299.6498 -161536.5980 -109033.6484 298.7779 -43.6500 -19.4790 760228.2275 0.6171 0.6965 PRESSURE: 4620200 60.4693 -33.3957 277.727 -33.3962 -105.965 218.216 277.726 218.216 -216.375 GPRESSURE: 4620200 131.619 13.5877 248.656 -60.396 -153.819 177.826 253.571 114.6 -158.331 PRESSAVG: 4620200 18.0853 -16.8275 -1.56304 -16.8274 -0.128175 21.2573 -1.56306 21.2572 19.7146 GPRESSAVG: 4620200 19.5385 -15.2203 -2.64468 -17.5691 -2.2572 20.8897 -1.08009 20.1268 20.4085 TIMING: 4620200 CPU: 14682.3, 0.00322853/step Wall: 14682.3, 0.00322854/step, 0.340611 hours remaining, 237.332031 MB of memory in use. ENERGY: 4620200 3985.5671 20655.4256 14420.7279 234.7308 -202919.0289 2209.9531 0.0000 0.0000 51933.4647 -109479.1597 298.4623 -161412.6245 -109119.4186 299.0317 -87.2905 -60.1770 760395.6265 12.5572 12.5633 LDB: ============= START OF LOAD BALANCING ============== 14694.7 LDB: ============== END OF LOAD BALANCING =============== 14694.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14694.7 LDB: ============= START OF LOAD BALANCING ============== 14695.1 LDB: Largest compute 7048 load 0.036783 is 18.8% of average load 0.196082 LDB: Average compute 0.004377 is 2.2% of average load 0.196082 LDB: TIME 14695.1 LOAD: AVG 0.196082 MAX 0.223979 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 14695.1 LOAD: AVG 0.196082 MAX 0.223979 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 14695.1 LOAD: AVG 0.196082 MAX 0.223979 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14695.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14695.1 PRESSURE: 4620400 -324.766 -116.911 -42.8417 -116.911 -356.715 226.466 -42.8414 226.466 114.471 GPRESSURE: 4620400 -266.951 -128.761 -56.5296 -106.006 -243.84 217.21 -94.4427 110.615 20.6864 PRESSAVG: 4620400 23.3417 -1.26852 -18.0442 -1.26863 -83.5996 -18.3367 -18.0442 -18.3366 1.26372 GPRESSAVG: 4620400 23.5357 -3.5987 -19.9721 0.201148 -82.0948 -18.7745 -19.5359 -19.851 -0.525147 TIMING: 4620400 CPU: 14683, 0.00328487/step Wall: 14683, 0.00328487/step, 0.346372 hours remaining, 238.867188 MB of memory in use. ENERGY: 4620400 4009.1658 20539.6586 14511.0496 252.9244 -203130.3270 2446.8868 0.0000 0.0000 51832.4302 -109538.2116 297.8817 -161370.6418 -109190.4199 298.3741 -189.0035 -163.3680 761931.2551 -19.6647 -19.6947 PRESSURE: 4620600 75.577 -263.024 50.0567 -263.024 -146.987 -36.8355 50.057 -36.835 0.966959 GPRESSURE: 4620600 111.011 -246.976 84.9851 -283.198 -115.191 -118.685 13.1853 22.0152 7.07407 PRESSAVG: 4620600 49.1311 23.6089 -31.0994 23.6089 -29.4818 0.611489 -31.0993 0.611596 14.617 GPRESSAVG: 4620600 49.6369 25.2223 -29.9988 21.7441 -30.2833 -0.237353 -31.8455 2.33102 14.8136 TIMING: 4620600 CPU: 14683.6, 0.00317392/step Wall: 14683.6, 0.00317392/step, 0.334496 hours remaining, 238.867188 MB of memory in use. ENERGY: 4620600 3975.8140 20452.7475 14533.9325 239.4078 -203407.0444 2754.2361 0.0000 0.0000 52040.2364 -109410.6702 299.0760 -161450.9066 -109052.3610 298.9664 -23.4809 0.9647 762504.0854 11.4221 11.3891 PRESSURE: 4620800 -39.9668 -123.818 -77.0778 -123.818 8.04031 64.8652 -77.078 64.8644 -17.354 GPRESSURE: 4620800 -9.927 -134.688 -104.971 -109.858 45.5641 64.2561 -35.7154 49.392 18.2632 PRESSAVG: 4620800 19.8088 -79.6992 -2.27848 -79.6992 2.1415 26.2134 -2.27844 26.2134 -11.7996 GPRESSAVG: 4620800 18.6028 -80.341 -1.7817 -78.0165 2.69799 25.0137 -0.686471 25.577 -10.8856 TIMING: 4620800 CPU: 14684.3, 0.00319039/step Wall: 14684.3, 0.00319039/step, 0.336055 hours remaining, 238.867188 MB of memory in use. ENERGY: 4620800 3869.2714 20588.8164 14513.5909 234.6150 -203034.7569 2302.0564 0.0000 0.0000 52074.6736 -109451.7332 299.2739 -161526.4068 -109094.8765 298.9910 -16.4268 17.9668 761510.5579 3.3836 3.4717 PRESSURE: 4621000 111.59 62.0973 -16.7377 62.0978 -79.5644 -55.5235 -16.7382 -55.5236 -492.496 GPRESSURE: 4621000 108.048 58.3106 78.0053 105.317 -67.4816 -96.0802 36.2549 141.868 -411.188 PRESSAVG: 4621000 -41.0526 -31.7548 -2.50226 -31.7547 3.51484 23.4006 -2.50228 23.4006 -28.5197 GPRESSAVG: 4621000 -39.5853 -31.9401 -1.95043 -30.3466 2.07104 24.8045 -0.307112 23.6065 -28.4184 TIMING: 4621000 CPU: 14684.9, 0.0031908/step Wall: 14684.9, 0.0031908/step, 0.335921 hours remaining, 238.867188 MB of memory in use. ENERGY: 4621000 3940.8753 20455.3586 14444.2248 244.7781 -203250.4055 2468.6119 0.0000 0.0000 52256.2665 -109440.2903 300.3175 -161696.5568 -109085.7686 299.3346 -153.4899 -123.5405 760906.7413 -22.0192 -21.9776 PRESSURE: 4621200 -39.1048 -64.8753 77.514 -64.8753 -198.782 -19.5462 77.5149 -19.5463 -292.531 GPRESSURE: 4621200 -59.8573 -65.2797 12.1016 -62.9374 -126.59 -109.516 10.3359 -48.8049 -236.281 PRESSAVG: 4621200 13.4389 -20.3428 27.3195 -20.3428 2.99914 -4.38571 27.3196 -4.38574 -13.3394 GPRESSAVG: 4621200 13.6246 -21.5858 26.7308 -21.1792 2.93546 -3.40584 24.9707 -5.69719 -13.3534 TIMING: 4621200 CPU: 14685.5, 0.00320099/step Wall: 14685.5, 0.00320099/step, 0.336815 hours remaining, 238.867188 MB of memory in use. ENERGY: 4621200 3971.3838 20608.5892 14394.5274 233.6149 -203311.4970 2468.4970 0.0000 0.0000 52014.6833 -109620.2015 298.9291 -161634.8847 -109254.5224 298.7511 -176.8059 -140.9095 761091.5425 1.0329 1.0689 PRESSURE: 4621400 27.0299 -199.811 -18.3548 -199.811 -112.665 208.994 -18.3549 208.995 -503.788 GPRESSURE: 4621400 55.5341 -141.703 -119.1 -63.7582 -82.8635 129.216 82.1719 148.592 -466.943 PRESSAVG: 4621400 42.1772 -24.0805 29.4804 -24.0806 -1.71438 -1.43207 29.4804 -1.43206 7.02116 GPRESSAVG: 4621400 41.5358 -19.7669 29.1099 -26.1894 -1.10134 -4.52381 29.1854 -0.674596 6.56671 TIMING: 4621400 CPU: 14686.2, 0.00318923/step Wall: 14686.2, 0.00318923/step, 0.335401 hours remaining, 238.867188 MB of memory in use. ENERGY: 4621400 4024.4802 20584.0355 14450.2423 232.7083 -202573.0633 2008.1616 0.0000 0.0000 51905.1722 -109368.2633 298.2997 -161273.4355 -109011.9567 299.3226 -196.4746 -164.7577 761784.3361 15.8280 15.6671 PRESSURE: 4621600 -40.1763 -61.1753 135.44 -61.1755 -30.5798 193.943 135.442 193.943 10.7582 GPRESSURE: 4621600 14.6939 -83.485 133.47 -71.4398 -7.77493 64.834 149.989 315.878 36.8924 PRESSAVG: 4621600 -7.78954 2.85948 64.4855 2.85939 13.6198 16.5976 64.4856 16.5976 0.247259 GPRESSAVG: 4621600 -7.85872 -0.341292 65.4609 3.9204 13.4913 16.9899 65.6894 17.2025 0.166528 TIMING: 4621600 CPU: 14686.8, 0.00317806/step Wall: 14686.8, 0.00317806/step, 0.334049 hours remaining, 238.867188 MB of memory in use. ENERGY: 4621600 4042.8131 20537.4861 14399.7659 236.2408 -203146.3663 2483.6458 0.0000 0.0000 52152.0007 -109294.4138 299.7183 -161446.4145 -108932.8451 299.1627 -19.9993 14.6038 759535.9084 2.0259 1.9330 PRESSURE: 4621800 -43.1985 -140.224 -322.926 -140.224 57.9795 112.951 -322.926 112.949 397.065 GPRESSURE: 4621800 16.3592 -68.5009 -235.979 -202.163 78.4631 62.7056 -291.391 77.0781 372.979 PRESSAVG: 4621800 67.4173 -27.695 2.39423 -27.695 -43.6552 42.7562 2.39416 42.7563 -9.85521 GPRESSAVG: 4621800 67.1214 -26.8734 2.45226 -27.9055 -43.3004 44.6525 0.169821 40.0702 -10.1732 TIMING: 4621800 CPU: 14687.4, 0.0031685/step Wall: 14687.4, 0.0031685/step, 0.332869 hours remaining, 238.867188 MB of memory in use. ENERGY: 4621800 4043.5887 20619.3547 14431.5568 222.2797 -203316.1951 2518.0195 0.0000 0.0000 52070.7108 -109410.6849 299.2511 -161481.3957 -109059.1954 299.5447 137.2819 155.9338 761119.5677 4.6356 4.5492 PRESSURE: 4622000 -210.095 196.569 0.300522 196.57 290.57 89.4044 0.299935 89.4039 -237.336 GPRESSURE: 4622000 -97.6033 205.609 29.2367 97.7284 242.417 30.8528 -51.2901 114.571 -215.588 PRESSAVG: 4622000 0.523782 -38.2807 -45.8869 -38.2806 -24.9452 -14.6903 -45.8869 -14.6903 5.19763 GPRESSAVG: 4622000 1.3513 -36.7863 -43.949 -37.771 -25.653 -15.5726 -48.2275 -13.9244 4.85528 TIMING: 4622000 CPU: 14688.1, 0.00318197/step Wall: 14688.1, 0.00318197/step, 0.334106 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4622000 4043.6822 20588.6763 14437.5512 247.9380 -203080.0640 2447.7171 0.0000 0.0000 52065.4952 -109249.0039 299.2211 -161314.4992 -108881.9552 299.3702 -52.2867 -23.5913 761485.6153 -6.4079 -6.4822 PRESSURE: 4622200 -217.552 98.274 15.8119 98.2738 -29.1252 25.7283 15.8126 25.7287 461.861 GPRESSURE: 4622200 -42.5639 137.222 144.52 82.3731 -60.9975 40.3644 -57.8955 -28.747 413.714 PRESSAVG: 4622200 24.0978 -49.4625 -13.3108 -49.4625 -30.6537 -10.4966 -13.3108 -10.4966 11.2528 GPRESSAVG: 4622200 24.9993 -51.1296 -14.4221 -51.2729 -31.3256 -10.9572 -10.9646 -7.96316 11.0274 TIMING: 4622200 CPU: 14688.7, 0.0032296/step Wall: 14688.7, 0.0032296/step, 0.338929 hours remaining, 238.867188 MB of memory in use. ENERGY: 4622200 3945.0730 20463.4155 14440.9936 236.5657 -202809.3457 2162.6974 0.0000 0.0000 52246.4894 -109314.1111 300.2613 -161560.6004 -108944.8372 299.4582 71.7281 103.3843 762585.2599 1.5656 1.5670 PRESSURE: 4622400 -198.334 -323.682 -12.5336 -323.682 -185.186 100.519 -12.5338 100.518 90.1329 GPRESSURE: 4622400 -217.784 -361.98 19.3051 -280.082 -87.584 107.042 40.1367 -50.6788 83.898 PRESSAVG: 4622400 44.4351 -6.41943 -29.4298 -6.41947 -32.4265 60.8845 -29.4298 60.8844 -2.88277 GPRESSAVG: 4622400 44.0107 -7.27836 -29.1008 -5.13838 -32.177 62.5207 -29.2314 58.3821 -2.82586 TIMING: 4622400 CPU: 14689.4, 0.00322893/step Wall: 14689.4, 0.00322893/step, 0.338679 hours remaining, 238.867188 MB of memory in use. ENERGY: 4622400 4044.3953 20351.0655 14540.5929 243.5575 -203340.8122 2722.6743 0.0000 0.0000 52347.3891 -109091.1375 300.8412 -161438.5266 -108740.0282 299.2560 -97.7956 -73.8233 761275.4158 3.0419 3.0026 PRESSURE: 4622600 22.3158 91.0647 -155.419 91.0642 -299.899 -107.21 -155.419 -107.21 -783.321 GPRESSURE: 4622600 -40.987 178.541 -173.251 21.766 -257.341 -136.23 -228.445 -96.2449 -663.986 PRESSAVG: 4622600 18.3258 -45.8104 -26.7233 -45.8103 -44.2412 -29.5616 -26.7232 -29.5616 -15.0025 GPRESSAVG: 4622600 18.6923 -43.4797 -27.0806 -46.5326 -43.864 -31.8696 -28.9554 -28.2507 -14.775 TIMING: 4622600 CPU: 14690, 0.00322971/step Wall: 14690, 0.00322971/step, 0.338581 hours remaining, 238.867188 MB of memory in use. ENERGY: 4622600 3975.5989 20463.2607 14432.7266 247.5174 -203079.8715 2379.0865 0.0000 0.0000 52230.9944 -109350.6870 300.1722 -161581.6814 -108986.7029 299.7609 -353.6348 -320.7713 761705.7947 -13.6393 -13.3156 PRESSURE: 4622800 -116.999 32.3543 92.1903 32.3534 -106.234 128.131 92.1901 128.132 -40.3361 GPRESSURE: 4622800 -106.311 -32.9187 131.26 38.9334 -78.2901 256.94 66.646 124.037 -0.961031 PRESSAVG: 4622800 78.1685 -35.284 -15.1675 -35.284 -100.902 -32.9513 -15.1675 -32.9513 -6.20404 GPRESSAVG: 4622800 78.0267 -37.6444 -15.911 -35.1756 -100.704 -31.0073 -15.7395 -33.7485 -6.01735 TIMING: 4622800 CPU: 14690.7, 0.00320411/step Wall: 14690.7, 0.00320411/step, 0.33572 hours remaining, 238.867188 MB of memory in use. ENERGY: 4622800 4037.4713 20579.6938 14477.9824 258.1265 -203385.1868 2672.6581 0.0000 0.0000 52143.5255 -109215.7293 299.6696 -161359.2548 -108860.1290 299.3642 -87.8564 -61.8540 763299.1953 -9.6460 -9.5649 PRESSURE: 4623000 156.428 271.337 -144.774 271.336 120.019 252.158 -144.773 252.158 -137.731 GPRESSURE: 4623000 369.326 228.772 -126.512 224.825 104.608 168.022 -68.1987 184.691 -257.119 PRESSAVG: 4623000 73.5509 -66.0582 -15.0338 -66.0583 -46.1339 29.4901 -15.0337 29.49 -14.6919 GPRESSAVG: 4623000 74.4758 -65.739 -14.5351 -65.0207 -47.0091 28.1031 -13.8088 33.5182 -14.5824 TIMING: 4623000 CPU: 14691.3, 0.00316026/step Wall: 14691.3, 0.00316026/step, 0.330949 hours remaining, 238.867188 MB of memory in use. ENERGY: 4623000 4038.8393 20510.0557 14473.9516 242.7982 -203300.0922 2782.1971 0.0000 0.0000 52071.5658 -109180.6845 299.2560 -161252.2503 -108803.2140 299.3123 46.2388 72.2719 761863.3596 4.2417 4.2948 PRESSURE: 4623200 163.481 67.0982 -127.513 67.0979 -165.757 -127.316 -127.514 -127.317 -243.507 GPRESSURE: 4623200 173.683 148.395 -98.3598 54.8734 -136.843 -226.464 -86.9549 -233.401 -199.528 PRESSAVG: 4623200 70.0062 -30.8741 21.0406 -30.874 -78.6468 -21.5615 21.0406 -21.5615 -10.8414 GPRESSAVG: 4623200 68.6852 -29.72 19.724 -31.1215 -77.5439 -20.1706 23.0255 -24.9038 -11.2882 TIMING: 4623200 CPU: 14691.9, 0.00319427/step Wall: 14691.9, 0.00319427/step, 0.334333 hours remaining, 238.867188 MB of memory in use. ENERGY: 4623200 3924.3078 20590.9768 14569.4997 254.7608 -203073.2597 2439.0612 0.0000 0.0000 52241.1889 -109053.4645 300.2308 -161294.6535 -108700.1890 300.1856 -81.9277 -54.2293 760424.7673 -6.4940 -6.7156 PRESSURE: 4623400 93.5185 -15.0862 116.734 -15.0866 -22.1639 -46.7463 116.736 -46.7467 181.306 GPRESSURE: 4623400 162.036 52.7867 16.7864 -47.6256 31.9008 -94.5366 95.3182 85.591 135.961 PRESSAVG: 4623400 2.48205 46.4516 -67.2927 46.4516 -25.4225 -21.8079 -67.2926 -21.8079 17.5256 GPRESSAVG: 4623400 2.08697 45.664 -66.8768 46.1567 -25.8532 -23.4596 -69.0842 -20.4196 18.5963 TIMING: 4623400 CPU: 14692.6, 0.00322079/step Wall: 14692.6, 0.00322079/step, 0.336931 hours remaining, 238.867188 MB of memory in use. ENERGY: 4623400 4010.9252 20554.1676 14552.6282 252.1702 -202837.9646 2186.9258 0.0000 0.0000 52049.4960 -109231.6516 299.1292 -161281.1476 -108869.9024 299.6081 84.2201 109.9657 760788.7678 -1.8049 -1.7233 PRESSURE: 4623600 -94.5312 124.526 86.7642 124.525 -258.87 95.5746 86.7642 95.5746 30.1404 GPRESSURE: 4623600 -130.212 40.3408 88.8692 69.1873 -125.8 75.2679 87.1569 71.4735 26.7691 PRESSAVG: 4623600 0.759824 -7.74166 12.6552 -7.74159 -56.0972 22.8255 12.6551 22.8255 6.86801 GPRESSAVG: 4623600 1.02733 -8.40976 11.2716 -8.20584 -56.4319 23.2679 14.1649 21.6837 6.38707 TIMING: 4623600 CPU: 14693.2, 0.00321651/step Wall: 14693.2, 0.00321651/step, 0.336304 hours remaining, 238.867188 MB of memory in use. ENERGY: 4623600 3950.7167 20643.1314 14565.8463 252.4787 -203383.5896 2493.4230 0.0000 0.0000 52116.7879 -109361.2056 299.5159 -161477.9935 -108995.4126 299.1557 -107.7537 -76.4142 760042.8567 -16.1564 -16.3392 PRESSURE: 4623800 -151.382 -199.951 86.6998 -199.951 5.5665 -80.4468 86.6986 -80.4472 290.497 GPRESSURE: 4623800 -232.331 -141.422 -32.3397 -211.822 109.167 -92.7812 131.211 -107.994 354.593 PRESSAVG: 4623800 29.7412 -31.0447 -18.2826 -31.0447 -31.5282 22.4842 -18.2826 22.4842 -4.58751 GPRESSAVG: 4623800 29.5743 -31.1839 -16.7399 -28.7569 -31.6186 22.3029 -21.6886 23.0149 -4.03197 TIMING: 4623800 CPU: 14693.9, 0.00317893/step Wall: 14693.9, 0.00317893/step, 0.332198 hours remaining, 238.867188 MB of memory in use. ENERGY: 4623800 3983.1608 20484.1389 14437.4377 244.8745 -202868.7137 2211.2068 0.0000 0.0000 51733.5184 -109774.3765 297.3132 -161507.8949 -109420.6542 298.9701 48.2273 77.1431 761097.8371 -2.1248 -2.0254 PRESSURE: 4624000 35.6394 273.393 37.9861 273.393 -100.523 -62.734 37.987 -62.7349 196.005 GPRESSURE: 4624000 140.2 238.659 28.0109 290.852 -104.865 13.1902 92.4091 -110.083 173.697 PRESSAVG: 4624000 37.7401 -7.33635 35.5503 -7.33637 -62.675 3.60677 35.5504 3.60673 0.357522 GPRESSAVG: 4624000 37.7539 -8.99903 34.234 -7.36197 -62.7698 4.69584 38.5564 2.28201 0.349869 TIMING: 4624000 CPU: 14694.5, 0.00325749/step Wall: 14694.5, 0.00325749/step, 0.340227 hours remaining, 238.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4624000 4027.9543 20465.2793 14432.7291 223.8641 -203507.6972 2731.2711 0.0000 0.0000 51965.9308 -109660.6684 298.6489 -161626.5992 -109304.8371 298.1345 43.7071 69.6773 760730.4170 -8.1925 -8.2220 PRESSURE: 4624200 -87.0051 176.276 -60.9769 176.276 -105.096 57.7797 -60.9765 57.7804 -383.796 GPRESSURE: 4624200 -27.4237 124.051 40.2956 160.803 -124.718 8.99079 -20.8261 35.4151 -361.397 PRESSAVG: 4624200 53.5553 -5.48364 3.40001 -5.48365 -8.97185 -28.7343 3.4 -28.7342 -7.27528 GPRESSAVG: 4624200 54.2963 -3.31857 5.48997 -7.42017 -8.87404 -30.9757 2.67803 -26.9981 -8.28332 TIMING: 4624200 CPU: 14695.2, 0.00323938/step Wall: 14695.2, 0.00323938/step, 0.338155 hours remaining, 238.867188 MB of memory in use. ENERGY: 4624200 3962.1140 20442.0912 14449.0241 231.0510 -203121.5388 2160.2886 0.0000 0.0000 52108.8228 -109768.1472 299.4701 -161876.9700 -109407.5083 298.6845 -191.9657 -171.1796 760903.8409 12.4361 12.3797 LDB: ============= START OF LOAD BALANCING ============== 14707.6 LDB: ============== END OF LOAD BALANCING =============== 14707.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14707.6 LDB: ============= START OF LOAD BALANCING ============== 14707.9 LDB: Largest compute 7048 load 0.038407 is 19.6% of average load 0.196114 LDB: Average compute 0.004385 is 2.2% of average load 0.196114 LDB: TIME 14707.9 LOAD: AVG 0.196114 MAX 0.217891 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 14707.9 LOAD: AVG 0.196114 MAX 0.217891 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 14707.9 LOAD: AVG 0.196114 MAX 0.217891 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 14707.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14707.9 PRESSURE: 4624400 -246.424 53.9599 -22.8248 53.9594 -176.555 74.9157 -22.8242 74.916 -149.122 GPRESSURE: 4624400 -303.112 45.7248 33.201 55.4637 -167.5 23.9143 -18.4388 54.2804 -22.6714 PRESSAVG: 4624400 33.5442 11.5183 5.6967 11.5182 -14.0218 8.54676 5.69672 8.54675 10.5512 GPRESSAVG: 4624400 33.9138 11.2386 5.02005 11.8073 -15.1191 9.98978 5.36897 7.04457 10.9301 TIMING: 4624400 CPU: 14695.8, 0.00328392/step Wall: 14695.8, 0.00328392/step, 0.342622 hours remaining, 239.183594 MB of memory in use. ENERGY: 4624400 4009.7425 20572.5141 14511.1402 234.6769 -202998.0159 2421.1934 0.0000 0.0000 51822.7767 -109425.9720 297.8262 -161248.7487 -109068.1176 299.0717 -190.7006 -164.4277 761353.5079 10.0245 9.9083 PRESSURE: 4624600 -115.501 -137.067 -40.6052 -137.067 -90.3648 42.9898 -40.606 42.9896 -286.822 GPRESSURE: 4624600 -95.8201 -117.554 -5.11446 -135.768 -0.205609 24.1483 -101.304 -46.4735 -302.81 PRESSAVG: 4624600 14.3847 17.121 2.95282 17.121 -5.16857 48.745 2.95283 48.7451 -6.79224 GPRESSAVG: 4624600 12.0111 17.9781 2.95368 16.4352 -3.28226 47.3765 3.97583 50.472 -6.9538 TIMING: 4624600 CPU: 14696.5, 0.00322099/step Wall: 14696.5, 0.00322099/step, 0.335878 hours remaining, 239.183594 MB of memory in use. ENERGY: 4624600 3970.4638 20314.3192 14521.6469 260.2850 -203085.9539 2401.2661 0.0000 0.0000 52072.1876 -109545.7853 299.2596 -161617.9728 -109186.0760 299.3832 -164.2292 -132.9452 760826.5420 0.8080 0.5917 PRESSURE: 4624800 5.62751 -189.714 -103.164 -189.714 -331.649 59.334 -103.165 59.3352 -263.163 GPRESSURE: 4624800 101.998 -63.1015 -111.423 -49.844 -327.412 161.099 -57.1115 -93.5923 -276.27 PRESSAVG: 4624800 79.7574 39.993 -13.0835 39.993 -17.864 -3.78301 -13.0836 -3.78301 -2.65874 GPRESSAVG: 4624800 80.1099 39.8116 -13.8949 42.448 -17.292 -2.87228 -12.3512 -4.25573 -3.27655 TIMING: 4624800 CPU: 14697.1, 0.00321023/step Wall: 14697.1, 0.00321023/step, 0.334577 hours remaining, 239.183594 MB of memory in use. ENERGY: 4624800 4017.6566 20248.3112 14413.0120 242.0681 -203278.7358 2554.0607 0.0000 0.0000 52204.0643 -109599.5630 300.0175 -161803.6273 -109232.0401 299.1733 -196.3947 -167.2279 761659.3781 19.7449 19.8471 PRESSURE: 4625000 302.517 -153.974 138.7 -153.974 -63.5039 80.7694 138.7 80.7701 -81.8355 GPRESSURE: 4625000 241.072 -26.5161 148.312 -197.198 9.75405 68.1198 234.358 15.6715 -12.8709 PRESSAVG: 4625000 -10.1116 -54.5399 -4.78766 -54.5399 -1.66614 13.6343 -4.78761 13.6343 -15.6911 GPRESSAVG: 4625000 -8.94961 -55.3669 -4.49396 -53.0929 -3.13137 15.095 -3.33934 11.8238 -15.2267 TIMING: 4625000 CPU: 14697.7, 0.00320245/step Wall: 14697.7, 0.00320245/step, 0.333588 hours remaining, 239.183594 MB of memory in use. ENERGY: 4625000 3944.6801 20463.1992 14450.9019 237.2216 -203164.0057 2599.3486 0.0000 0.0000 52093.7191 -109374.9352 299.3833 -161468.6543 -109015.6451 299.1544 52.3927 79.3185 761066.7248 -9.1563 -9.1026 PRESSURE: 4625200 296.642 -150.181 -112.351 -150.181 -88.805 234.918 -112.351 234.918 139.548 GPRESSURE: 4625200 234.41 -73.3083 -153.668 -270.012 62.4488 247.123 2.9996 184.168 116.626 PRESSAVG: 4625200 48.6934 11.695 -12.4578 11.6951 -12.3865 -9.18377 -12.4578 -9.18378 10.8332 GPRESSAVG: 4625200 47.5067 12.6008 -11.7596 10.2216 -11.3758 -9.69713 -14.5848 -9.43667 10.6163 TIMING: 4625200 CPU: 14698.4, 0.00321919/step Wall: 14698.4, 0.00321919/step, 0.335154 hours remaining, 239.183594 MB of memory in use. ENERGY: 4625200 3930.6399 20584.5565 14410.8459 226.8640 -202943.8294 2326.1663 0.0000 0.0000 52018.6176 -109446.1391 298.9517 -161464.7567 -109083.7403 299.1543 115.7952 137.8282 760436.0415 15.7133 15.5824 PRESSURE: 4625400 -10.0923 -42.3938 -132.623 -42.3928 -78.7157 12.1056 -132.622 12.1061 189.09 GPRESSURE: 4625400 26.4602 -27.0511 -197.684 -42.0077 -12.1283 25.7986 -64.9439 -85.6857 184.662 PRESSAVG: 4625400 41.7578 -24.0744 -20.2477 -24.0743 -50.5818 -22.3912 -20.2476 -22.3912 -6.21665 GPRESSAVG: 4625400 42.3818 -24.4982 -19.8192 -24.5316 -51.3856 -20.8177 -20.172 -22.8732 -5.53028 TIMING: 4625400 CPU: 14699, 0.00322697/step Wall: 14699, 0.00322697/step, 0.335785 hours remaining, 239.183594 MB of memory in use. ENERGY: 4625400 4031.0072 20411.9729 14371.7609 242.7018 -203329.1846 2370.5068 0.0000 0.0000 52208.6609 -109692.5742 300.0439 -161901.2351 -109340.2060 299.2381 33.4272 66.3312 759521.0246 -5.0136 -4.8447 PRESSURE: 4625600 -205.713 57.7832 44.1219 57.7823 -155.536 -138.996 44.1222 -138.996 -273.591 GPRESSURE: 4625600 -125.117 -40.4553 -13.9546 -18.7007 -237.247 -180.237 26.672 -55.3217 -197.593 PRESSAVG: 4625600 60.9493 -36.9598 -17.0767 -36.9599 -9.28527 -4.86738 -17.0767 -4.86733 -8.15704 GPRESSAVG: 4625600 61.4887 -37.6309 -19.5468 -35.383 -8.96058 -5.67346 -16.2651 -3.21429 -8.67118 TIMING: 4625600 CPU: 14699.7, 0.00321757/step Wall: 14699.7, 0.00321757/step, 0.334628 hours remaining, 239.183594 MB of memory in use. ENERGY: 4625600 4011.9442 20407.8598 14435.6833 222.3201 -203003.0686 2310.2957 0.0000 0.0000 52174.1636 -109440.8019 299.8456 -161614.9654 -109072.5963 299.2440 -211.6132 -186.6521 760635.5684 14.5023 14.6190 PRESSURE: 4625800 -141.426 -245.195 -118.797 -245.194 -183.715 220.901 -118.796 220.901 -301.024 GPRESSURE: 4625800 -164.616 -145.714 -239.152 -367.074 -163.208 185.12 -112.485 130.307 -206.303 PRESSAVG: 4625800 8.65816 -18.329 5.61115 -18.3291 -1.21137 25.3339 5.61116 25.3338 3.50915 GPRESSAVG: 4625800 7.97291 -18.1499 5.35661 -20.3286 -0.652407 24.1678 4.67316 24.8551 3.40502 TIMING: 4625800 CPU: 14700.3, 0.00325197/step Wall: 14700.3, 0.00325197/step, 0.338024 hours remaining, 239.183594 MB of memory in use. ENERGY: 4625800 4025.3957 20611.1950 14483.5394 244.5491 -203069.3934 2357.1433 0.0000 0.0000 51910.6991 -109436.8718 298.3315 -161347.5709 -109083.3079 299.2577 -208.7217 -178.0424 760542.8455 3.6520 3.5752 PRESSURE: 4626000 -256.195 -36.8115 -93.7194 -36.8105 162.343 67.6523 -93.7197 67.6525 -119.353 GPRESSURE: 4626000 -125.71 -46.617 -133.648 -19.322 120.461 58.5691 -39.3537 29.6569 -150.63 PRESSAVG: 4626000 -30.8381 -21.4042 -23.5743 -21.4042 -16.4411 1.75593 -23.5743 1.75603 23.6657 GPRESSAVG: 4626000 -31.0295 -19.193 -23.1043 -20.5876 -17.2758 2.20053 -23.4873 0.419239 23.9559 TIMING: 4626000 CPU: 14701, 0.00321144/step Wall: 14701, 0.00321144/step, 0.333633 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4626000 3974.1839 20516.9213 14457.9675 253.4957 -203378.6516 2613.6667 0.0000 0.0000 52117.9749 -109444.4416 299.5227 -161562.4165 -109069.3169 299.4703 -71.0684 -51.9600 761389.2897 -7.8712 -8.1165 PRESSURE: 4626200 -268.636 101.999 -37.7257 101.999 3.62058 7.84122 -37.7248 7.84175 -267.743 GPRESSURE: 4626200 -220.056 56.9116 -39.9927 -46.0849 16.8373 -45.4983 -27.3373 -10.07 -233.248 PRESSAVG: 4626200 -23.8071 -28.604 5.42034 -28.604 1.73479 20.1939 5.42034 20.1938 22.086 GPRESSAVG: 4626200 -22.5492 -27.9282 8.24801 -29.5368 1.7288 19.3883 3.4651 21.1041 20.9025 TIMING: 4626200 CPU: 14701.6, 0.00321503/step Wall: 14701.6, 0.00321502/step, 0.333827 hours remaining, 239.183594 MB of memory in use. ENERGY: 4626200 4040.5954 20493.0341 14524.6114 244.5358 -203053.5469 2262.2419 0.0000 0.0000 52133.0571 -109355.4713 299.6094 -161488.5284 -108994.9657 299.4744 -177.5860 -145.4889 761225.3297 0.0046 0.0273 PRESSURE: 4626400 -4.79734 -279.397 274.25 -279.398 -443.429 31.0947 274.25 31.0953 -269.658 GPRESSURE: 4626400 -33.9973 -306.544 241.342 -117.521 -365.324 72.5368 260.936 44.0284 -248.418 PRESSAVG: 4626400 40.8946 -23.5354 -15.2058 -23.5353 12.7916 35.4448 -15.2058 35.4447 2.80216 GPRESSAVG: 4626400 40.0424 -26.0483 -16.5619 -23.6099 12.5365 35.0256 -13.1514 36.8517 3.89011 TIMING: 4626400 CPU: 14702.2, 0.00322258/step Wall: 14702.2, 0.00322258/step, 0.334432 hours remaining, 239.183594 MB of memory in use. ENERGY: 4626400 3941.2000 20499.5214 14511.8846 233.1910 -203227.2487 2375.8068 0.0000 0.0000 52201.9610 -109463.6839 300.0054 -161665.6448 -109102.1121 299.2682 -239.2947 -215.9133 761038.5379 18.8295 18.8230 PRESSURE: 4626600 -261.204 -8.85215 -329.151 -8.85343 214.773 -68.7707 -329.152 -68.77 -163.565 GPRESSURE: 4626600 -173.912 114.663 -400.23 -126.601 250.189 -83.7729 -282.401 -50.7064 -207.808 PRESSAVG: 4626600 41.2619 2.15144 -21.7366 2.15151 -37.3018 13.8492 -21.7367 13.8491 16.8302 GPRESSAVG: 4626600 41.1325 3.1031 -22.9945 2.81408 -37.205 14.1576 -19.65 14.1395 16.972 TIMING: 4626600 CPU: 14702.9, 0.00321201/step Wall: 14702.9, 0.00321201/step, 0.333157 hours remaining, 239.183594 MB of memory in use. ENERGY: 4626600 3976.2014 20624.5613 14497.5097 242.3843 -203173.4185 2247.4712 0.0000 0.0000 52248.6898 -109336.6009 300.2739 -161585.2906 -108984.7900 299.6635 -69.9986 -43.8439 760030.4675 6.9301 6.9665 PRESSURE: 4626800 185.896 59.7773 1.93223 59.7772 -223.14 -28.2062 1.93136 -28.2049 118.224 GPRESSURE: 4626800 312.59 69.6392 47.287 13.8293 -298.643 41.7545 91.169 0.459049 146.914 PRESSAVG: 4626800 38.0357 -48.6709 19.7642 -48.6708 -36.7095 67.5467 19.7642 67.5468 -1.01348 GPRESSAVG: 4626800 38.5837 -50.2072 20.5908 -47.8807 -36.625 68.6107 16.8844 65.0919 -2.13735 TIMING: 4626800 CPU: 14703.5, 0.00316839/step Wall: 14703.5, 0.00316839/step, 0.328456 hours remaining, 239.183594 MB of memory in use. ENERGY: 4626800 4124.9723 20544.4516 14502.9093 250.6278 -203187.5012 2710.9551 0.0000 0.0000 51918.1549 -109135.4302 298.3743 -161053.5851 -108770.7844 299.9711 26.9933 53.6202 761260.3231 0.1042 -0.0595 PRESSURE: 4627000 23.5851 -39.4587 -80.302 -39.4591 -24.2871 -47.6156 -80.3014 -47.6149 -246.526 GPRESSURE: 4627000 124.51 -6.09178 -40.3505 -75.3534 -66.3837 0.578023 -92.924 18.7465 -215.584 PRESSAVG: 4627000 34.0095 -27.2008 27.3723 -27.2009 -54.9923 16.0086 27.3723 16.0086 -15.3027 GPRESSAVG: 4627000 33.4298 -25.8755 26.5911 -29.3014 -55.7279 15.7246 29.0792 18.2952 -13.6236 TIMING: 4627000 CPU: 14704.2, 0.00318168/step Wall: 14704.2, 0.00318169/step, 0.329658 hours remaining, 239.183594 MB of memory in use. ENERGY: 4627000 4042.9267 20515.0712 14405.0876 250.2155 -203568.8188 2774.5171 0.0000 0.0000 52140.7330 -109440.2678 299.6535 -161581.0007 -109074.1879 299.6725 -82.4092 -52.4857 760211.7853 -12.0951 -11.9739 PRESSURE: 4627200 -224.645 170.127 156.577 170.127 -113.88 129.649 156.578 129.648 -82.465 GPRESSURE: 4627200 -239.233 174.548 159.351 137.44 -59.9429 178.087 156.815 57.3081 -65.6529 PRESSAVG: 4627200 -2.30922 30.17 27.1952 30.17 13.7044 -8.6989 27.1953 -8.69899 -5.51718 GPRESSAVG: 4627200 -1.45526 30.2876 28.4065 29.9037 14.2988 -8.64772 25.8039 -9.66508 -7.16802 TIMING: 4627200 CPU: 14704.8, 0.00318309/step Wall: 14704.8, 0.00318309/step, 0.329626 hours remaining, 239.183594 MB of memory in use. ENERGY: 4627200 4009.3069 20518.5410 14519.2870 246.8364 -203247.4424 2513.6911 0.0000 0.0000 51937.1138 -109502.6663 298.4833 -161439.7800 -109149.7480 298.9589 -140.3298 -121.6097 761501.2620 1.9593 1.8918 PRESSURE: 4627400 52.3251 -92.6988 55.8233 -92.6986 145.301 -281.053 55.823 -281.053 -103.056 GPRESSURE: 4627400 40.4687 -152.441 84.8931 -126.146 192.311 -308.321 -64.678 -116.724 -64.0475 PRESSAVG: 4627400 16.0219 -30.3244 -55.665 -30.3244 -24.8424 12.5038 -55.6651 12.5039 -12.8388 GPRESSAVG: 4627400 15.5331 -31.8165 -55.4736 -27.9878 -25.5062 10.2342 -55.2339 12.6633 -11.8806 TIMING: 4627400 CPU: 14705.4, 0.00320064/step Wall: 14705.4, 0.00320064/step, 0.331266 hours remaining, 239.183594 MB of memory in use. ENERGY: 4627400 4065.8488 20618.7129 14495.5301 235.1792 -203517.0280 2662.8229 0.0000 0.0000 52022.8119 -109416.1223 298.9758 -161438.9342 -109059.2342 299.2323 31.5234 56.2439 761724.7407 -7.2197 -7.2845 PRESSURE: 4627600 -78.6429 -7.73387 31.3772 -7.73455 -201.928 -9.75939 31.3766 -9.76002 45.0621 GPRESSURE: 4627600 -144.531 127.364 26.7798 -114.603 -61.6108 -11.0721 43.6071 -27.0776 63.3113 PRESSAVG: 4627600 -26.144 -49.5861 -16.1775 -49.5861 -8.01956 -5.70662 -16.1775 -5.70662 28.2052 GPRESSAVG: 4627600 -27.5713 -47.3766 -15.8701 -50.4683 -6.91233 -4.44672 -15.4208 -5.66523 28.5188 TIMING: 4627600 CPU: 14706.1, 0.00320727/step Wall: 14706.1, 0.00320727/step, 0.331775 hours remaining, 239.183594 MB of memory in use. ENERGY: 4627600 3993.2258 20536.5999 14498.2976 237.4128 -203117.5548 2436.4328 0.0000 0.0000 52260.5962 -109154.9897 300.3424 -161415.5859 -108786.6992 299.9310 -78.5030 -47.6101 760536.5975 -1.9861 -1.9883 PRESSURE: 4627800 13.8415 -159.851 -84.1803 -159.851 -210.216 -92.9818 -84.18 -92.9824 60.5836 GPRESSURE: 4627800 22.632 -96.5176 -137.33 -94.642 -152.323 -52.5276 27.7734 5.20623 73.0619 PRESSAVG: 4627800 -8.47637 -39.362 3.33341 -39.362 -0.390288 -65.1641 3.33346 -65.1642 10.99 GPRESSAVG: 4627800 -7.0747 -40.979 2.9355 -40.4895 -0.536454 -64.9688 0.956186 -63.4827 9.79091 TIMING: 4627800 CPU: 14706.7, 0.00321477/step Wall: 14706.7, 0.00321477/step, 0.332372 hours remaining, 239.183594 MB of memory in use. ENERGY: 4627800 4104.7140 20526.3026 14484.1926 239.7770 -202932.3909 2513.0456 0.0000 0.0000 52237.3807 -108826.9783 300.2089 -161064.3591 -108464.1229 300.5978 -45.2636 -18.8765 762027.4672 0.7078 0.7266 PRESSURE: 4628000 -107.348 -112.373 -219.047 -112.375 -149.529 -206.788 -219.048 -206.789 186.78 GPRESSURE: 4628000 -40.5446 -49.5567 -233.694 -211.656 -162.54 -170.805 -159.566 -73.9249 204.237 PRESSAVG: 4628000 59.0946 -65.0704 -24.4759 -65.0704 -39.1 -19.1697 -24.4759 -19.1698 7.62849 GPRESSAVG: 4628000 59.2776 -64.3816 -25.9439 -64.0121 -39.1511 -19.6262 -22.8041 -18.8717 8.12879 TIMING: 4628000 CPU: 14707.4, 0.00319513/step Wall: 14707.4, 0.00319513/step, 0.330163 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4628000 4006.6813 20581.8657 14468.2128 244.2296 -203031.3528 2369.8632 0.0000 0.0000 52263.7256 -109096.7746 300.3603 -161360.5002 -108727.1131 300.7621 -23.3658 0.3842 762133.8397 9.2077 9.4184 PRESSURE: 4628200 36.1261 240.367 -150.608 240.367 -203.761 216.255 -150.609 216.255 -17.1021 GPRESSURE: 4628200 54.3283 245.17 -87.7244 232.413 -257.832 229.378 -109.229 101.898 90.2113 PRESSAVG: 4628200 13.9726 -19.9316 -42.8998 -19.9316 -33.9571 36.0938 -42.8998 36.0937 4.46059 GPRESSAVG: 4628200 13.0857 -19.9522 -42.0008 -19.3339 -34.6034 34.8801 -43.9874 37.4781 5.74777 TIMING: 4628200 CPU: 14708, 0.00322818/step Wall: 14708, 0.00322818/step, 0.333399 hours remaining, 239.183594 MB of memory in use. ENERGY: 4628200 3978.0384 20580.5272 14481.6959 243.0130 -203102.9281 2442.3621 0.0000 0.0000 52133.8366 -109243.4548 299.6139 -161377.2914 -108881.8587 300.3678 -61.5790 -37.7641 761808.6019 -5.1746 -5.2567 LDB: ============= START OF LOAD BALANCING ============== 14720.4 LDB: ============== END OF LOAD BALANCING =============== 14720.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14720.4 LDB: ============= START OF LOAD BALANCING ============== 14720.7 LDB: Largest compute 7048 load 0.038128 is 19.5% of average load 0.195900 LDB: Average compute 0.004394 is 2.2% of average load 0.195900 LDB: TIME 14720.7 LOAD: AVG 0.1959 MAX 0.218225 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.473 MB LDB: TIME 14720.7 LOAD: AVG 0.1959 MAX 0.218225 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.473 MB LDB: TIME 14720.7 LOAD: AVG 0.1959 MAX 0.218225 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.473 MB LDB: ============== END OF LOAD BALANCING =============== 14720.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14720.8 PRESSURE: 4628400 -131.989 -238.201 229.767 -238.201 -240.179 153.606 229.767 153.605 40.7848 GPRESSURE: 4628400 -128.421 -194.639 192.375 -135.148 -173.202 164.514 102.369 64.4966 60.9498 PRESSAVG: 4628400 20.2848 11.4805 -34.2144 11.4805 -5.85632 39.8113 -34.2144 39.8113 30.5814 GPRESSAVG: 4628400 21.5066 12.0251 -34.3041 11.1404 -5.64045 44.0097 -34.8189 37.9525 30.0227 TIMING: 4628400 CPU: 14708.7, 0.00332169/step Wall: 14708.7, 0.00332169/step, 0.342872 hours remaining, 239.125000 MB of memory in use. ENERGY: 4628400 4016.3232 20492.0058 14458.6934 258.2138 -202883.1423 2078.5583 0.0000 0.0000 52311.5694 -109267.7785 300.6353 -161579.3479 -108903.8809 299.6699 -110.4609 -80.2244 760763.9766 15.0033 15.2963 PRESSURE: 4628600 -127.41 -195.901 -83.299 -195.901 312.722 -77.367 -83.2989 -77.3661 70.3036 GPRESSURE: 4628600 -39.6192 -68.6221 -70.1178 -182.794 339.502 -198.904 -64.8485 -32.8357 51.3241 PRESSAVG: 4628600 0.976871 -20.7117 17.9962 -20.7116 -4.41121 -15.9435 17.9962 -15.9435 10.1666 GPRESSAVG: 4628600 -0.866992 -19.2916 16.8979 -23.76 -1.58426 -18.3681 19.0718 -18.0489 9.8281 TIMING: 4628600 CPU: 14709.3, 0.00322368/step Wall: 14709.3, 0.00322368/step, 0.332577 hours remaining, 239.195312 MB of memory in use. ENERGY: 4628600 3960.3881 20560.6121 14505.8751 242.9664 -203320.6688 2472.3078 0.0000 0.0000 52326.6647 -109251.8545 300.7221 -161578.5193 -108888.3241 299.6946 85.2053 117.0691 759852.5746 2.2441 2.4590 PRESSURE: 4628800 -276.834 -166.68 -148.934 -166.679 -258.971 107.352 -148.933 107.351 -151.39 GPRESSURE: 4628800 -196.09 -176.273 -88.6267 -264.068 -188.776 78.3608 -131.748 115.381 -201.573 PRESSAVG: 4628800 -39.7896 -37.5363 -36.0945 -37.5362 34.0114 3.98892 -36.0945 3.98895 -3.06328 GPRESSAVG: 4628800 -37.9299 -40.3878 -35.1445 -35.4032 31.3141 3.26681 -35.7233 2.36459 -2.83366 TIMING: 4628800 CPU: 14710, 0.00320588/step Wall: 14710, 0.00320588/step, 0.330561 hours remaining, 239.195312 MB of memory in use. ENERGY: 4628800 3997.2032 20548.5495 14474.4314 246.0086 -203176.1824 2481.9824 0.0000 0.0000 52127.7801 -109300.2273 299.5791 -161428.0073 -108936.4636 299.7662 -229.0651 -195.4799 761243.6878 -2.9472 -3.1498 PRESSURE: 4629000 -437.935 -21.3456 -202.809 -21.3455 72.1785 13.7621 -202.808 13.7619 54.4255 GPRESSURE: 4629000 -431.321 64.1442 -190.17 -149.554 92.0806 30.8628 -64.065 3.42321 117.54 PRESSAVG: 4629000 27.2033 -35.7727 9.53081 -35.7727 8.90977 -4.13887 9.5308 -4.13879 -13.7198 GPRESSAVG: 4629000 26.365 -32.9233 9.90293 -36.3339 9.26841 -2.3309 9.02876 -0.44135 -13.1305 TIMING: 4629000 CPU: 14710.6, 0.00316867/step Wall: 14710.6, 0.00316867/step, 0.326549 hours remaining, 239.195312 MB of memory in use. ENERGY: 4629000 3949.8597 20508.8870 14454.0465 208.1817 -203170.7274 2380.1121 0.0000 0.0000 52284.5091 -109385.1314 300.4798 -161669.6405 -109021.4011 299.5603 -103.7771 -73.9002 761967.4085 7.4644 7.5010 PRESSURE: 4629200 -8.1435 48.2243 -104.341 48.2237 -268.036 136.832 -104.341 136.831 203.56 GPRESSURE: 4629200 100.39 140.313 -154.662 128.686 -257.214 94.3899 107.762 216.691 167.437 PRESSAVG: 4629200 -31.0435 -10.998 -63.0101 -10.998 -27.0004 27.0383 -63.0101 27.0382 14.6421 GPRESSAVG: 4629200 -30.8273 -9.8097 -61.1336 -12.9807 -26.1344 26.1453 -64.6606 25.7472 14.0319 TIMING: 4629200 CPU: 14711.2, 0.00322411/step Wall: 14711.2, 0.00322411/step, 0.332083 hours remaining, 239.195312 MB of memory in use. ENERGY: 4629200 3967.2158 20419.5734 14458.4029 258.5739 -203905.6360 2901.3788 0.0000 0.0000 52487.5860 -109412.9052 301.6469 -161900.4912 -109050.3381 299.6834 -24.2065 3.5378 760312.9175 -14.4673 -14.3099 PRESSURE: 4629400 36.3111 -25.9164 32.9331 -25.9174 123.335 -28.2688 32.9328 -28.2682 -475.666 GPRESSURE: 4629400 143.075 17.6033 51.6919 29.3896 112.935 -59.122 122.546 -30.8147 -492.37 PRESSAVG: 4629400 17.0376 -0.261011 3.0519 -0.261075 -13.0085 -27.5628 3.05184 -27.5628 -28.8828 GPRESSAVG: 4629400 17.0941 -1.35359 1.93224 2.04787 -13.2565 -27.9613 3.10084 -26.0482 -28.7038 TIMING: 4629400 CPU: 14711.9, 0.0032332/step Wall: 14711.9, 0.0032332/step, 0.33284 hours remaining, 239.195312 MB of memory in use. ENERGY: 4629400 4109.6047 20664.1750 14459.9782 264.3106 -202644.2266 2158.1537 0.0000 0.0000 51979.9584 -109008.0461 298.7295 -160988.0044 -108654.5096 300.1253 -105.3401 -78.7865 761243.0515 -8.2845 -8.2887 PRESSURE: 4629600 -3.36923 209.496 -88.0777 209.496 -43.2895 -55.8127 -88.0774 -55.813 -103.484 GPRESSURE: 4629600 -70.2119 167.79 -2.0739 186.001 101.752 -157.69 -218.664 -101.301 -99.6431 PRESSAVG: 4629600 -49.2419 -1.74615 -11.6758 -1.74617 -1.27807 -30.2216 -11.6758 -30.2216 12.1382 GPRESSAVG: 4629600 -49.7215 -2.7836 -10.9716 -1.25672 -0.538058 -30.0639 -11.4717 -30.2027 12.0036 TIMING: 4629600 CPU: 14712.5, 0.00320929/step Wall: 14712.5, 0.00320929/step, 0.3302 hours remaining, 239.195312 MB of memory in use. ENERGY: 4629600 4052.4936 20445.4589 14381.3039 237.2157 -203364.6290 2801.2654 0.0000 0.0000 52182.7027 -109264.1888 299.8947 -161446.8915 -108908.4118 299.7997 -50.0477 -22.7010 760324.0349 -12.7939 -12.7520 PRESSURE: 4629800 317.191 -161.984 65.5749 -161.984 -49.5245 47.5525 65.5752 47.5521 136.139 GPRESSURE: 4629800 291.752 -259.259 67.0603 -32.3786 59.1246 129.414 1.05731 30.8138 161.213 PRESSAVG: 4629800 -36.9796 -54.3907 -9.42349 -54.3907 7.1452 -2.05887 -9.42345 -2.05884 35.0747 GPRESSAVG: 4629800 -38.4698 -54.2749 -8.35954 -53.9009 7.11087 -1.84195 -10.8942 -3.58782 36.3394 TIMING: 4629800 CPU: 14713.2, 0.00322159/step Wall: 14713.2, 0.00322159/step, 0.331287 hours remaining, 239.195312 MB of memory in use. ENERGY: 4629800 3925.8086 20414.2390 14533.3166 244.8061 -203394.5061 2836.3395 0.0000 0.0000 52006.3663 -109433.6301 298.8813 -161439.9964 -109080.3715 299.3755 134.6020 170.6966 759582.5760 1.7468 1.6602 PRESSURE: 4630000 225.011 -67.2584 -27.8555 -67.2583 316.976 14.0191 -27.8554 14.019 237.023 GPRESSURE: 4630000 227.441 22.8597 54.1524 14.8849 298.273 -6.14018 -5.59439 -17.634 339.477 PRESSAVG: 4630000 -7.04634 -42.2847 2.65102 -42.2847 47.3992 -64.8044 2.6511 -64.8044 -29.0941 GPRESSAVG: 4630000 -6.26537 -40.927 0.304876 -44.9402 47.7988 -63.305 4.32455 -64.4256 -29.4933 TIMING: 4630000 CPU: 14713.8, 0.00321484/step Wall: 14713.8, 0.00321484/step, 0.330414 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4630000 3944.6257 20374.6708 14494.5859 241.1839 -203385.8005 2882.7015 0.0000 0.0000 52314.2142 -109133.8186 300.6505 -161448.0328 -108779.7454 299.1799 259.6700 288.3970 760924.9839 3.7529 4.0133 PRESSURE: 4630200 -29.1354 -60.2528 230.546 -60.2537 227.398 -100.29 230.547 -100.29 87.7288 GPRESSURE: 4630200 93.2368 -127.62 242.383 -10.297 190.991 -70.3087 187.01 -204.446 88.3061 PRESSAVG: 4630200 36.0547 -34.7575 3.37341 -34.7575 -36.6657 -5.85559 3.37343 -5.85559 11.3658 GPRESSAVG: 4630200 38.2679 -35.7796 5.26713 -33.855 -38.3984 -6.89129 3.12466 -4.57053 10.3434 TIMING: 4630200 CPU: 14714.5, 0.00321276/step Wall: 14714.5, 0.00321276/step, 0.330022 hours remaining, 239.195312 MB of memory in use. ENERGY: 4630200 4016.4311 20403.9899 14409.8119 234.5811 -203068.6919 2533.1389 0.0000 0.0000 52381.4612 -109089.2778 301.0370 -161470.7390 -108720.9728 299.8126 95.3306 124.1781 759410.5828 3.5849 3.4043 PRESSURE: 4630400 143.131 -253.665 -27.9374 -253.665 177.485 -267.673 -27.9369 -267.673 9.68742 GPRESSURE: 4630400 137.084 -285.112 -111.793 -232.087 286.176 -199.961 -122.611 -232.731 0.774916 PRESSAVG: 4630400 49.7854 5.3978 -2.02395 5.39775 -34.4588 -58.7481 -2.0239 -58.7481 -8.58309 GPRESSAVG: 4630400 49.5178 5.57911 -2.01411 6.45205 -32.9063 -58.6008 -3.11031 -59.7588 -9.40286 TIMING: 4630400 CPU: 14715.1, 0.00319183/step Wall: 14715.1, 0.00319182/step, 0.327694 hours remaining, 239.195312 MB of memory in use. ENERGY: 4630400 3955.4012 20298.8503 14451.3013 230.1662 -203072.7165 2559.9689 0.0000 0.0000 52486.7109 -109090.3175 301.6418 -161577.0284 -108714.4491 300.0169 110.1013 141.3449 759428.2765 2.2478 2.4029 PRESSURE: 4630600 116.365 92.1564 60.4973 92.1575 60.4354 43.0056 60.4976 43.0063 211.448 GPRESSURE: 4630600 119.356 16.1906 10.4856 156.303 4.04578 67.8202 52.5718 3.6462 345.529 PRESSAVG: 4630600 63.7281 -30.0269 36.0394 -30.0268 -61.0758 -4.48132 36.0395 -4.48137 -15.9172 GPRESSAVG: 4630600 62.9136 -27.8613 35.4062 -31.5216 -60.6293 -6.14982 37.5079 -2.63757 -15.1573 TIMING: 4630600 CPU: 14715.7, 0.00315608/step Wall: 14715.7, 0.00315608/step, 0.323849 hours remaining, 239.195312 MB of memory in use. ENERGY: 4630600 3960.8314 20453.4565 14526.2374 224.9246 -203033.0453 2725.0244 0.0000 0.0000 51950.8741 -109191.6970 298.5624 -161142.5711 -108830.4946 299.5341 129.4161 156.3101 760086.2275 -4.4217 -4.2910 PRESSURE: 4630800 202.372 -6.49472 -102.725 -6.4936 -92.6542 -2.927 -102.724 -2.92673 323.333 GPRESSURE: 4630800 203.299 -82.3828 14.5587 -72.9346 2.88835 -7.53601 -78.7073 -35.9824 317.162 PRESSAVG: 4630800 6.8954 -46.3301 13.3596 -46.33 4.461 -5.5657 13.3596 -5.56574 -12.7884 GPRESSAVG: 4630800 8.64096 -48.4577 14.0071 -42.3783 3.12894 -4.3493 13.3786 -6.83928 -13.6301 TIMING: 4630800 CPU: 14716.4, 0.00318617/step Wall: 14716.4, 0.00318617/step, 0.32676 hours remaining, 239.195312 MB of memory in use. ENERGY: 4630800 4038.3858 20414.8386 14362.2348 242.0626 -202886.9470 2413.0315 0.0000 0.0000 52245.7336 -109170.6601 300.2569 -161416.3936 -108810.5135 299.6585 144.3502 174.4499 760809.0982 -0.4773 -0.6201 PRESSURE: 4631000 41.5949 197.925 78.043 197.926 -236.79 99.517 78.043 99.5174 -78.9759 GPRESSURE: 4631000 48.284 210.346 87.0661 132.492 -125.551 42.1518 96.8814 58.5894 -96.3263 PRESSAVG: 4631000 -32.5937 -61.2687 1.49572 -61.2687 -0.788984 -12.4814 1.49575 -12.4814 36.2999 GPRESSAVG: 4631000 -34.9079 -60.9021 2.80661 -65.288 0.193232 -13.8074 -1.3459 -13.2675 37.8421 TIMING: 4631000 CPU: 14717, 0.00321387/step Wall: 14717, 0.00321387/step, 0.329422 hours remaining, 239.195312 MB of memory in use. ENERGY: 4631000 4033.6915 20304.7303 14468.2802 259.1149 -203136.5084 2537.7964 0.0000 0.0000 51983.3059 -109549.5892 298.7488 -161532.8951 -109188.0233 299.5248 -91.3902 -57.8644 760516.6751 0.9724 1.0425 PRESSURE: 4631200 -50.9735 -256.675 -255.505 -256.674 -121.515 -266.075 -255.505 -266.074 -115.901 GPRESSURE: 4631200 5.53776 -222.36 -152.492 -237.437 -139.865 -244.127 -296.868 -183.447 -67.285 PRESSAVG: 4631200 -31.2235 -29.7982 -18.69 -29.7982 15.8887 1.03072 -18.69 1.03063 8.91545 GPRESSAVG: 4631200 -29.3431 -28.7919 -20.041 -26.8842 15.0751 2.51581 -17.7385 0.933567 8.4343 TIMING: 4631200 CPU: 14717.7, 0.00323354/step Wall: 14717.7, 0.00323354/step, 0.331259 hours remaining, 239.195312 MB of memory in use. ENERGY: 4631200 3941.4638 20669.1023 14459.9735 240.5228 -202905.5108 2183.0633 0.0000 0.0000 52081.1873 -109330.1977 299.3113 -161411.3850 -108957.4725 299.5318 -96.1298 -67.2040 760191.7464 -2.1398 -1.9446 PRESSURE: 4631400 -111.416 6.70287 42.1888 6.70392 247.106 -21.0002 42.1886 -21.0003 102.465 GPRESSURE: 4631400 -111.434 -53.3081 116.226 -64.9996 277.175 30.8663 124.537 1.57147 138.99 PRESSAVG: 4631400 28.1381 -36.4314 -55.3802 -36.4315 -20.2414 -36.3112 -55.3803 -36.3112 5.9587 GPRESSAVG: 4631400 26.6499 -35.406 -54.8815 -40.0767 -19.7756 -35.5782 -53.5798 -36.2533 6.72487 TIMING: 4631400 CPU: 14718.3, 0.0032284/step Wall: 14718.3, 0.0032284/step, 0.330552 hours remaining, 239.195312 MB of memory in use. ENERGY: 4631400 3978.0070 20438.0455 14438.8115 245.1578 -203394.6437 2508.2317 0.0000 0.0000 52272.4043 -109513.9857 300.4102 -161786.3901 -109150.9847 299.3629 79.3849 101.5769 758214.5393 4.6185 4.5330 PRESSURE: 4631600 -47.9655 80.9341 174.267 80.9336 0.303868 -37.4386 174.266 -37.4375 -269.226 GPRESSURE: 4631600 -7.04372 148.125 229.844 146.318 92.5957 -24.6387 182.671 -35.3512 -312.125 PRESSAVG: 4631600 3.34047 -24.2151 33.5627 -24.2151 -18.1469 16.4258 33.5626 16.4258 -5.42408 GPRESSAVG: 4631600 3.62306 -24.0305 33.4214 -22.5491 -17.5487 15.2595 32.4781 18.5672 -6.5294 TIMING: 4631600 CPU: 14718.9, 0.00324077/step Wall: 14718.9, 0.00324077/step, 0.331639 hours remaining, 239.195312 MB of memory in use. ENERGY: 4631600 4076.1137 20619.9146 14488.4012 254.3319 -203407.1347 2413.3215 0.0000 0.0000 52054.6743 -109500.3774 299.1589 -161555.0517 -109150.8961 298.9816 -105.6292 -75.5244 759189.4208 -6.7435 -6.8183 PRESSURE: 4631800 195.762 65.1308 -46.9299 65.1315 -384.729 -127.255 -46.9301 -127.255 -147.577 GPRESSURE: 4631800 192.876 123.032 -141 10.1448 -286.214 -104.873 20.107 -107.002 -161.166 PRESSAVG: 4631800 56.5663 16.9552 41.2263 16.9551 -55.1033 32.9735 41.2263 32.9736 -2.35685 GPRESSAVG: 4631800 57.6829 15.7726 41.1178 14.8945 -56.7046 33.6331 40.5873 32.3701 -2.03008 TIMING: 4631800 CPU: 14719.6, 0.00321756/step Wall: 14719.6, 0.00321755/step, 0.329084 hours remaining, 239.195312 MB of memory in use. ENERGY: 4631800 3988.3929 20490.7850 14439.7123 246.5474 -203580.0087 2639.9654 0.0000 0.0000 51995.3121 -109779.2936 298.8178 -161774.6057 -109426.3523 299.5116 -112.1813 -84.8351 759424.0870 -0.2980 -0.3506 PRESSURE: 4632000 338.226 -369.54 -36.1763 -369.539 -253.245 52.176 -36.1764 52.1755 -77.6788 GPRESSURE: 4632000 269.635 -338.275 -6.22678 -373.89 -85.0581 83.2391 -79.8305 27.8412 -88.1766 PRESSAVG: 4632000 18.339 -5.04141 42.8187 -5.04134 -24.7832 19.2131 42.8188 19.2131 1.06368 GPRESSAVG: 4632000 18.3324 -4.75947 40.9025 -4.5981 -24.8788 17.9032 43.1633 18.1753 0.95546 TIMING: 4632000 CPU: 14720.2, 0.00322394/step Wall: 14720.2, 0.00322394/step, 0.329559 hours remaining, 239.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4632000 3993.6547 20341.0761 14403.8575 248.9431 -203658.6917 2377.9923 0.0000 0.0000 52147.3438 -110145.8243 299.6915 -162293.1680 -109778.2869 298.4206 2.4339 32.1333 759420.8665 -1.7935 -1.8636 PRESSURE: 4632200 -250.223 -129.587 -75.6145 -129.587 -120.831 262.888 -75.6151 262.889 -219.757 GPRESSURE: 4632200 -161.706 -172.06 -96.7122 -101.272 -102.02 304.755 -1.73239 188.446 -261.973 PRESSAVG: 4632200 26.9364 -16.2032 47.4131 -16.2032 -15.7091 -38.384 47.413 -38.384 -16.5189 GPRESSAVG: 4632200 26.553 -17.6313 48.3731 -14.8486 -16.1676 -35.8173 46.9252 -39.208 -16.6044 TIMING: 4632200 CPU: 14720.9, 0.00321523/step Wall: 14720.9, 0.00321523/step, 0.328489 hours remaining, 239.195312 MB of memory in use. ENERGY: 4632200 3890.8833 20555.2184 14491.4613 268.3308 -203935.8417 2453.6113 0.0000 0.0000 51830.8212 -110445.5153 297.8724 -162276.3365 -110084.5897 297.9713 -196.9370 -175.2331 760071.9502 -1.7638 -2.0730 LDB: ============= START OF LOAD BALANCING ============== 14733.3 LDB: ============== END OF LOAD BALANCING =============== 14733.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14733.3 LDB: ============= START OF LOAD BALANCING ============== 14733.6 LDB: Largest compute 7049 load 0.037473 is 19.1% of average load 0.195971 LDB: Average compute 0.004378 is 2.2% of average load 0.195971 LDB: TIME 14733.6 LOAD: AVG 0.195971 MAX 0.222105 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 14733.6 LOAD: AVG 0.195971 MAX 0.222105 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 14733.6 LOAD: AVG 0.195971 MAX 0.220972 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 14733.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14733.6 PRESSURE: 4632400 186.665 108.03 111.111 108.031 -396.603 -99.0759 111.111 -99.0767 8.98848 GPRESSURE: 4632400 186.331 -48.4525 127.117 -3.5295 -271.392 -79.4142 249.124 -125.77 -20.6221 PRESSAVG: 4632400 50.5951 -2.90291 13.2027 -2.90291 -59.8317 56.3456 13.2028 56.3457 -4.32319 GPRESSAVG: 4632400 48.9709 -0.808753 11.966 -4.42251 -58.7612 55.7564 15.9947 55.3229 -3.27366 TIMING: 4632400 CPU: 14721.5, 0.00327849/step Wall: 14721.5, 0.00327849/step, 0.33477 hours remaining, 239.183594 MB of memory in use. ENERGY: 4632400 3952.9121 20416.1081 14385.3962 237.4205 -203781.4056 2260.4064 0.0000 0.0000 51941.0813 -110588.0810 298.5061 -162529.1622 -110225.1537 297.3979 -66.9834 -35.2277 759905.9855 -4.5199 -4.3546 PRESSURE: 4632600 19.0068 27.4271 -256.588 27.4276 -164.802 195.063 -256.588 195.064 -104.472 GPRESSURE: 4632600 41.5622 25.2749 -283.982 4.81406 -157.193 164.612 -268.82 172.761 -50.364 PRESSAVG: 4632600 -2.23309 -29.3382 -26.2724 -29.3381 -1.53388 14.3169 -26.2725 14.3168 -3.62459 GPRESSAVG: 4632600 0.192577 -30.5022 -26.5855 -26.8516 -2.90894 14.114 -27.9785 16.3051 -4.8267 TIMING: 4632600 CPU: 14722.2, 0.00317747/step Wall: 14722.2, 0.00317747/step, 0.324279 hours remaining, 239.183594 MB of memory in use. ENERGY: 4632600 3972.9319 20535.6891 14399.4894 246.1215 -203848.4286 2394.9170 0.0000 0.0000 51717.7697 -110581.5100 297.2227 -162299.2797 -110227.2465 297.2898 -83.4225 -55.3317 758913.4121 -2.4639 -2.5144 PRESSURE: 4632800 -288.242 -351.628 19.5759 -351.628 349.182 -12.8149 19.5749 -12.8152 -49.5742 GPRESSURE: 4632800 -230.412 -295.912 76.1688 -284.453 254.3 55.4165 -13.2145 -47.3564 78.3941 PRESSAVG: 4632800 -13.8396 -7.07391 53.4087 -7.0739 11.4904 -8.88388 53.4087 -8.88382 -1.61709 GPRESSAVG: 4632800 -15.0723 -6.44742 53.4581 -7.5382 11.1993 -8.24457 52.6914 -9.49891 -0.398407 TIMING: 4632800 CPU: 14722.8, 0.00317476/step Wall: 14722.8, 0.00317476/step, 0.323825 hours remaining, 239.183594 MB of memory in use. ENERGY: 4632800 3961.5069 20529.5890 14426.4600 231.5794 -203831.0525 2343.7682 0.0000 0.0000 51783.4832 -110554.6657 297.6004 -162338.1489 -110186.5530 297.3344 3.7887 34.0940 758794.0346 -1.3221 -1.4238 PRESSURE: 4633000 -129.012 -118.977 142.704 -118.977 108.904 135.12 142.703 135.12 586.976 GPRESSURE: 4633000 -17.2277 -79.3893 174.271 -169.364 108.269 234.105 70.1624 119.483 544.583 PRESSAVG: 4633000 26.4499 -24.9552 67.2276 -24.9552 -37.4565 -60.3979 67.2276 -60.398 -15.1359 GPRESSAVG: 4633000 25.7202 -25.3845 67.2815 -24.6755 -35.7726 -61.8181 68.607 -61.0035 -16.7987 TIMING: 4633000 CPU: 14723.4, 0.00322051/step Wall: 14723.4, 0.00322051/step, 0.328314 hours remaining, 239.183594 MB of memory in use. ENERGY: 4633000 3934.4500 20519.7778 14378.8409 243.3899 -204225.8129 2686.4614 0.0000 0.0000 52046.7731 -110416.1198 299.1135 -162462.8929 -110048.5614 297.1807 188.9560 211.8748 758242.9239 -8.7142 -8.9504 PRESSURE: 4633200 88.1619 193.645 -66.2137 193.646 -61.1484 -15.3747 -66.2139 -15.3751 -362.275 GPRESSURE: 4633200 69.9217 238.909 -78.8327 81.705 37.0303 -67.6147 -44.0628 15.8208 -348.917 PRESSAVG: 4633200 -40.2885 18.9825 41.4064 18.9825 11.5349 44.9646 41.4065 44.9645 -11.0925 GPRESSAVG: 4633200 -40.2165 19.3969 43.3923 14.6101 11.5928 46.1424 38.7416 45.748 -10.4982 TIMING: 4633200 CPU: 14724.1, 0.00321541/step Wall: 14724.1, 0.00321541/step, 0.327615 hours remaining, 239.183594 MB of memory in use. ENERGY: 4633200 3898.6633 20411.0066 14375.3554 254.4832 -203741.5653 2675.8651 0.0000 0.0000 51992.6163 -110133.5754 298.8023 -162126.1917 -109758.7014 297.8751 -111.7537 -80.6549 760374.3764 -13.2820 -13.0406 PRESSURE: 4633400 -181.25 120.522 -72.9015 120.523 -180.286 227.025 -72.901 227.025 -331.371 GPRESSURE: 4633400 -69.0449 148.423 -104.243 102.794 -127.362 235.867 -60.394 95.1161 -396.565 PRESSAVG: 4633400 16.3291 8.74793 54.828 8.74791 -3.99356 -46.219 54.828 -46.219 -34.5911 GPRESSAVG: 4633400 16.3553 8.45459 53.0848 11.8815 -4.91769 -47.4427 55.5398 -46.6792 -34.1018 TIMING: 4633400 CPU: 14724.7, 0.00320308/step Wall: 14724.7, 0.00320308/step, 0.32618 hours remaining, 239.183594 MB of memory in use. ENERGY: 4633400 4072.2863 20505.6858 14376.1702 230.8869 -203788.6201 2738.7500 0.0000 0.0000 51808.7234 -110056.1176 297.7454 -161864.8409 -109700.9385 297.9396 -230.9686 -197.6572 761412.1002 -7.4185 -7.5547 PRESSURE: 4633600 -170.037 3.37651 -55.9184 3.37733 -206.834 -287.556 -55.9184 -287.556 -239.194 GPRESSURE: 4633600 -126.982 22.4329 -6.55126 -38.221 -194.468 -215.407 -5.1561 -248.525 -202.517 PRESSAVG: 4633600 -15.7122 -25.984 21.5058 -25.984 21.217 -25.6368 21.5058 -25.6367 -3.36378 GPRESSAVG: 4633600 -16.4183 -25.279 20.0235 -26.2092 22.2417 -22.8127 24.6064 -27.3855 -3.36436 TIMING: 4633600 CPU: 14725.4, 0.00323887/step Wall: 14725.4, 0.00323887/step, 0.329645 hours remaining, 239.183594 MB of memory in use. ENERGY: 4633600 3966.4963 20622.5182 14332.8389 249.8560 -203683.7956 2512.9714 0.0000 0.0000 52026.3802 -109972.7346 298.9963 -161999.1148 -109616.3843 297.6719 -205.3551 -174.6557 760712.9999 0.7137 0.8197 PRESSURE: 4633800 7.70597 -37.8026 -132.654 -37.803 -45.7157 -66.7199 -132.653 -66.7199 -442.66 GPRESSURE: 4633800 -15.189 -37.6108 -185.58 113.827 19.3953 -97.5374 -96.6358 -46.1727 -391.492 PRESSAVG: 4633800 11.3678 -45.887 46.8116 -45.887 -14.4599 -46.9035 46.8116 -46.9035 -3.76617 GPRESSAVG: 4633800 13.2192 -45.8151 47.3145 -44.7242 -15.2257 -49.1227 45.4148 -43.7359 -4.26608 TIMING: 4633800 CPU: 14726, 0.00327378/step Wall: 14726, 0.00327378/step, 0.333016 hours remaining, 239.183594 MB of memory in use. ENERGY: 4633800 4024.2766 20528.3332 14373.7701 251.3191 -203297.4573 2342.6638 0.0000 0.0000 51831.3484 -109945.7461 297.8755 -161777.0945 -109594.4601 298.4900 -160.2232 -129.0953 760277.8119 -2.2861 -2.0909 PRESSURE: 4634000 -285.57 -5.37666 78.4757 -5.37589 -233.673 -195.98 78.4754 -195.98 -193.688 GPRESSURE: 4634000 -286.301 -45.2451 138.408 -6.63947 -177.981 -156.621 13.6019 -238.486 -155.096 PRESSAVG: 4634000 -13.7752 -32.8956 6.09123 -32.8956 14.0722 -14.7066 6.09124 -14.7067 0.490375 GPRESSAVG: 4634000 -14.3721 -33.7045 5.9606 -30.906 14.5164 -14.6404 7.21647 -14.8477 -0.153757 TIMING: 4634000 CPU: 14726.7, 0.00321259/step Wall: 14726.7, 0.00321259/step, 0.326613 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4634000 4008.7876 20508.0250 14390.2459 255.4721 -203703.3560 2789.5635 0.0000 0.0000 51962.7935 -109788.4685 298.6309 -161751.2620 -109426.5151 298.6525 -237.6437 -206.4592 762038.8621 0.2624 -0.0032 PRESSURE: 4634200 -258.071 169.502 145.777 169.503 62.3646 -83.965 145.777 -83.9644 -113.419 GPRESSURE: 4634200 -177.882 221.297 106.746 156.418 62.715 -102.646 62.9639 -109.855 -108.452 PRESSAVG: 4634200 -21.2057 -7.32692 23.5108 -7.32691 32.7753 -21.7761 23.5108 -21.7761 -25.571 GPRESSAVG: 4634200 -22.0418 -4.4924 24.65 -10.7138 32.6161 -22.2704 20.1693 -22.1029 -25.0768 TIMING: 4634200 CPU: 14727.3, 0.0032164/step Wall: 14727.3, 0.0032164/step, 0.326822 hours remaining, 239.183594 MB of memory in use. ENERGY: 4634200 3949.0559 20285.3248 14389.7963 238.2948 -203401.2917 2728.8199 0.0000 0.0000 52032.1960 -109777.8038 299.0297 -161809.9999 -109414.1249 298.5994 -103.0417 -74.5396 761276.5451 -4.6671 -4.8341 PRESSURE: 4634400 -325.083 92.3 -27.3315 92.2996 -66.816 141.7 -27.3311 141.7 286.722 GPRESSURE: 4634400 -284.483 119.418 -11.8651 86.4847 24.8505 128.514 -28.7848 205.614 239.523 PRESSAVG: 4634400 -1.5674 23.6695 -4.46748 23.6696 24.9729 0.972146 -4.46745 0.972129 5.23027 GPRESSAVG: 4634400 -1.33139 21.7631 -4.34022 23.3439 25.4545 1.65809 -3.08382 1.95332 4.1889 TIMING: 4634400 CPU: 14728, 0.00318618/step Wall: 14728, 0.00318618/step, 0.323574 hours remaining, 239.183594 MB of memory in use. ENERGY: 4634400 4056.9405 20361.3554 14379.6090 237.1791 -203137.4577 2417.1810 0.0000 0.0000 52156.9723 -109528.2204 299.7468 -161685.1927 -109176.9649 298.6565 -35.0588 -6.7032 761134.5848 9.5453 9.4373 PRESSURE: 4634600 173.915 131.37 36.7166 131.371 -84.3488 -49.5346 36.716 -49.5347 260.502 GPRESSURE: 4634600 150.843 123.992 71.6812 70.7652 -29.0977 32.0368 173.905 -113.725 308.541 PRESSAVG: 4634600 12.6598 -31.4389 38.8727 -31.439 -21.7471 -22.2031 38.8727 -22.203 8.6633 GPRESSAVG: 4634600 12.7212 -31.1551 38.6114 -31.1121 -22.4458 -22.4264 39.7581 -23.7482 9.74631 TIMING: 4634600 CPU: 14728.6, 0.00321447/step Wall: 14728.6, 0.00321447/step, 0.326269 hours remaining, 239.183594 MB of memory in use. ENERGY: 4634600 4034.6038 20567.8819 14454.0171 240.5179 -203345.1480 2602.6775 0.0000 0.0000 51890.6518 -109554.7981 298.2163 -161445.4498 -109197.8772 299.0933 116.6892 143.4289 760703.2444 -0.1414 0.0072 PRESSURE: 4634800 -97.368 71.1651 -77.2088 71.1651 -161.895 8.23109 -77.2095 8.23078 -416.171 GPRESSURE: 4634800 -86.4252 81.839 -106.202 16.3564 -127.477 60.3033 -32.9677 1.28891 -375.507 PRESSAVG: 4634800 20.2334 -32.37 51.7801 -32.37 -34.226 -12.4388 51.7801 -12.4388 28.5129 GPRESSAVG: 4634800 20.3708 -32.1299 50.731 -33.3193 -34.5493 -12.9902 51.4895 -11.8904 28.6969 TIMING: 4634800 CPU: 14729.2, 0.00323927/step Wall: 14729.2, 0.00323927/step, 0.328606 hours remaining, 239.183594 MB of memory in use. ENERGY: 4634800 4005.6123 20607.7978 14471.5240 245.2686 -203353.2361 2420.9281 0.0000 0.0000 51770.4980 -109831.6072 297.5258 -161602.1053 -109486.9797 298.6761 -225.1446 -196.4698 762228.5283 4.8401 4.8395 PRESSURE: 4635000 169.905 42.4561 126.775 42.4572 -139.837 -56.6031 126.776 -56.6042 584.701 GPRESSURE: 4635000 146.521 -91.6291 121.697 8.21743 94.5012 19.7395 89.9813 -63.9478 457.59 PRESSAVG: 4635000 -41.0469 -19.6252 35.5503 -19.6252 2.84677 28.1502 35.5504 28.1503 11.2105 GPRESSAVG: 4635000 -41.736 -20.8788 36.6084 -17.0288 3.96785 29.9599 32.3752 29.1337 10.063 TIMING: 4635000 CPU: 14729.9, 0.00321218/step Wall: 14729.9, 0.00321218/step, 0.32568 hours remaining, 239.183594 MB of memory in use. ENERGY: 4635000 4044.1440 20438.4048 14422.3765 241.5001 -203278.4639 2417.8674 0.0000 0.0000 52093.7510 -109620.4201 299.3835 -161714.1711 -109262.0666 298.4199 204.9232 232.8706 762322.7627 -8.9966 -9.2351 PRESSURE: 4635200 -91.2044 67.5334 47.4666 67.5341 -267.239 137.806 47.4666 137.807 3.90408 GPRESSURE: 4635200 -87.4925 52.7671 28.2949 -21.0988 -190.391 228.968 24.1628 164.242 -4.19094 PRESSAVG: 4635200 -16.8725 14.6275 37.597 14.6275 3.34796 18.8938 37.5969 18.8938 7.55484 GPRESSAVG: 4635200 -16.4936 15.7799 38.4019 13.0471 3.10608 17.6724 39.792 18.965 7.70231 TIMING: 4635200 CPU: 14730.5, 0.0031699/step Wall: 14730.5, 0.0031699/step, 0.321216 hours remaining, 239.183594 MB of memory in use. ENERGY: 4635200 3971.2600 20598.6541 14480.7774 255.8073 -203475.9400 2672.5872 0.0000 0.0000 51981.7211 -109515.1330 298.7397 -161496.8540 -109158.0341 298.7232 -118.1799 -94.0248 763237.7547 -1.9899 -1.8951 PRESSURE: 4635400 -106.132 138.713 -35.9561 138.713 -45.2688 69.5336 -35.9561 69.5328 -86.0917 GPRESSURE: 4635400 -44.0338 130.048 -25.6367 84.3819 -81.1859 19.0501 -96.7349 121.181 -19.6902 PRESSAVG: 4635400 -65.6719 35.1769 3.83945 35.1768 104.462 -21.7214 3.83951 -21.7214 8.99148 GPRESSAVG: 4635400 -64.693 35.382 2.88045 34.9565 102.681 -22.8913 2.6752 -21.9714 9.82631 TIMING: 4635400 CPU: 14731.2, 0.00321203/step Wall: 14731.2, 0.00321203/step, 0.325307 hours remaining, 239.183594 MB of memory in use. ENERGY: 4635400 4057.6449 20607.7894 14500.3223 241.7814 -203072.0809 2262.1207 0.0000 0.0000 51906.2430 -109496.1792 298.3059 -161402.4221 -109145.5477 298.5062 -79.1642 -48.3033 762451.0216 15.9272 15.9381 PRESSURE: 4635600 -249.534 92.2154 -344.909 92.2154 55.5784 -36.8723 -344.909 -36.8719 -291.119 GPRESSURE: 4635600 -229.035 110.037 -326.391 136.703 83.9577 -92.2021 -247.411 -60.0362 -231.143 PRESSAVG: 4635600 -11.2268 35.8684 6.94777 35.8685 4.87446 30.7894 6.9478 30.7894 -12.5219 GPRESSAVG: 4635600 -11.79 35.1886 7.73567 38.3383 5.49752 33.756 7.98036 27.5115 -12.3821 TIMING: 4635600 CPU: 14731.8, 0.00321701/step Wall: 14731.8, 0.00321701/step, 0.325633 hours remaining, 239.183594 MB of memory in use. ENERGY: 4635600 3999.9870 20374.9979 14464.5312 242.8713 -203012.9685 2137.1973 0.0000 0.0000 52225.2869 -109568.0969 300.1394 -161793.3839 -109210.9923 298.9666 -161.6913 -125.4068 761970.5109 -6.2914 -6.2248 PRESSURE: 4635800 287.77 -79.0297 74.432 -79.0302 -162.525 5.98539 74.4319 5.98578 -126.421 GPRESSURE: 4635800 233.081 -37.0543 32.8939 -114.525 -69.9376 43.1079 161.706 86.552 -84.3474 PRESSAVG: 4635800 -32.0314 -42.2664 9.61548 -42.2664 46.5805 32.8742 9.61552 32.8742 -16.5968 GPRESSAVG: 4635800 -31.9301 -40.3514 8.4748 -45.2732 47.6005 31.9762 10.9304 36.4834 -17.5105 TIMING: 4635800 CPU: 14732.4, 0.00318709/step Wall: 14732.4, 0.00318709/step, 0.322427 hours remaining, 239.183594 MB of memory in use. ENERGY: 4635800 3948.1824 20621.5061 14409.0388 246.3441 -203362.0096 2685.7938 0.0000 0.0000 51754.0064 -109697.1380 297.4310 -161451.1444 -109339.6831 298.6698 -0.3922 26.2655 762556.0000 -0.6826 -0.6134 PRESSURE: 4636000 -63.3857 34.4754 66.9009 34.4758 130.908 -10.7113 66.9009 -10.711 -227.54 GPRESSURE: 4636000 3.22677 -21.0813 89.7781 121.584 26.8397 0.796416 145.386 62.4505 -112.798 PRESSAVG: 4636000 -3.88477 -7.92417 63.6853 -7.92419 -24.0594 29.3568 63.6853 29.3568 4.773 GPRESSAVG: 4636000 -4.08766 -9.61649 64.3832 -6.97037 -23.4026 28.5333 63.7588 29.048 4.08864 TIMING: 4636000 CPU: 14733.1, 0.00320666/step Wall: 14733.1, 0.00320666/step, 0.324229 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4636000 3984.1207 20565.7583 14467.2255 238.0600 -203541.7198 2723.7777 0.0000 0.0000 52039.7597 -109523.0179 299.0732 -161562.7776 -109164.3892 298.4639 -53.3394 -27.5772 762345.3978 -7.7237 -7.8006 PRESSURE: 4636200 85.0086 158.126 -2.93385 158.126 291.513 -190.004 -2.93325 -190.004 92.8939 GPRESSURE: 4636200 98.6805 123.47 -24.8003 138.971 347.891 -142.543 -26.0521 -193.32 119.837 PRESSAVG: 4636200 22.1393 12.2914 -3.31406 12.2914 -2.43057 16.0111 -3.31406 16.0111 15.3669 GPRESSAVG: 4636200 22.9569 11.4062 -5.01375 11.5584 -3.19976 15.5588 -4.99834 15.1932 15.5021 TIMING: 4636200 CPU: 14733.7, 0.00319481/step Wall: 14733.7, 0.00319481/step, 0.322854 hours remaining, 239.183594 MB of memory in use. ENERGY: 4636200 3993.3349 20564.4045 14504.2929 235.0228 -202842.1622 2205.0223 0.0000 0.0000 52008.5526 -109331.5322 298.8939 -161340.0848 -108969.6945 299.1185 156.4718 188.8031 761284.2374 11.6919 11.7531 LDB: ============= START OF LOAD BALANCING ============== 14746.1 LDB: ============== END OF LOAD BALANCING =============== 14746.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14746.1 LDB: ============= START OF LOAD BALANCING ============== 14746.4 LDB: Largest compute 7075 load 0.037114 is 18.9% of average load 0.196063 LDB: Average compute 0.004397 is 2.2% of average load 0.196063 LDB: TIME 14746.4 LOAD: AVG 0.196063 MAX 0.217728 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.73 MB LDB: TIME 14746.4 LOAD: AVG 0.196063 MAX 0.217728 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: TIME 14746.4 LOAD: AVG 0.196063 MAX 0.217728 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14746.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14746.5 PRESSURE: 4636400 -205.186 -223.464 85.5336 -223.464 170.758 125.629 85.534 125.629 -231.174 GPRESSURE: 4636400 -188.616 -245.764 166.28 -218.242 132.123 150.663 46.4528 15.7804 -130.663 PRESSAVG: 4636400 23.429 -19.4552 46.714 -19.4551 -46.6443 46.7887 46.714 46.7887 -16.4016 GPRESSAVG: 4636400 22.9916 -19.0568 45.9082 -17.1986 -47.2299 46.4702 45.8814 49.2913 -14.9205 TIMING: 4636400 CPU: 14734.4, 0.0032408/step Wall: 14734.4, 0.0032408/step, 0.327321 hours remaining, 240.468750 MB of memory in use. ENERGY: 4636400 4063.8112 20644.5280 14500.7649 243.7817 -202936.3662 2427.6332 0.0000 0.0000 51958.4826 -109097.3646 298.6061 -161055.8473 -108742.0028 299.3559 -88.5339 -62.3854 762321.9942 -13.2056 -13.0529 PRESSURE: 4636600 25.6972 67.1257 67.9106 67.1247 -15.8018 15.4431 67.9089 15.4445 125.309 GPRESSURE: 4636600 118.693 6.03016 111.225 -24.3832 15.1271 25.8356 144.261 33.5645 78.7498 PRESSAVG: 4636600 55.3417 18.61 1.13077 18.61 34.5657 61.9473 1.13077 61.9473 -28.9343 GPRESSAVG: 4636600 55.4716 19.4112 2.79708 18.1268 35.4277 63.0329 2.46615 58.1589 -29.4924 TIMING: 4636600 CPU: 14735, 0.00317994/step Wall: 14735, 0.00317994/step, 0.320997 hours remaining, 240.468750 MB of memory in use. ENERGY: 4636600 3992.4553 20710.5582 14470.9847 260.7043 -203361.9220 2636.2877 0.0000 0.0000 52159.7933 -109131.1386 299.7630 -161290.9318 -108780.4078 300.1837 45.0682 70.8566 758910.6277 20.3244 20.4690 PRESSURE: 4636800 219.368 -199.032 61.6533 -199.031 188.273 81.8981 61.6543 81.8981 29.1143 GPRESSURE: 4636800 276.284 -155.039 57.5154 -218.516 191.774 106.963 149.7 -63.7779 51.687 PRESSAVG: 4636800 49.5821 -33.1368 21.5571 -33.1369 -30.8625 22.4133 21.5571 22.4134 -19.3624 GPRESSAVG: 4636800 49.5701 -33.8164 20.6751 -33.6016 -30.9817 21.6323 22.1463 24.5466 -20.076 TIMING: 4636800 CPU: 14735.6, 0.00315069/step Wall: 14735.6, 0.00315069/step, 0.31787 hours remaining, 240.468750 MB of memory in use. ENERGY: 4636800 4034.0025 20533.0010 14453.8101 236.7774 -203066.5355 2359.0417 0.0000 0.0000 52082.9256 -109366.9771 299.3213 -161449.9027 -108991.3471 299.9734 145.5854 173.2483 761774.1568 -0.2143 -0.4959 PRESSURE: 4637000 -476.989 67.3446 -197.911 67.3447 -202.365 141.574 -197.911 141.575 65.4732 GPRESSURE: 4637000 -413.445 -58.8854 -218.002 48.5884 -142.699 120.728 -180.882 53.1093 31.5901 PRESSAVG: 4637000 -4.44661 -13.0713 -74.0099 -13.0713 -20.2771 7.52591 -74.0099 7.526 -10.6614 GPRESSAVG: 4637000 -3.23106 -10.7467 -72.3081 -16.1784 -22.4708 7.59028 -74.5364 6.37989 -10.4126 TIMING: 4637000 CPU: 14736.3, 0.00316111/step Wall: 14736.3, 0.00316112/step, 0.318746 hours remaining, 240.468750 MB of memory in use. ENERGY: 4637000 4040.1783 20604.0054 14390.3097 247.3918 -203408.6062 2494.1177 0.0000 0.0000 52308.5719 -109324.0313 300.6181 -161632.6033 -108956.7689 299.7105 -204.6269 -174.8515 761525.6202 -11.7950 -12.0382 PRESSURE: 4637200 1.72925 9.29123 -105.013 9.29109 28.8382 -106.759 -105.014 -106.76 -195.509 GPRESSURE: 4637200 1.66514 82.7289 -89.1631 117.999 81.6242 -72.9341 -157.848 -113.506 -147.584 PRESSAVG: 4637200 2.86965 -31.2799 -39.9244 -31.2799 -37.3135 60.1378 -39.9244 60.1377 -9.08325 GPRESSAVG: 4637200 2.93037 -30.507 -41.7636 -28.7841 -36.0674 58.3068 -39.2458 61.3682 -9.91335 TIMING: 4637200 CPU: 14736.9, 0.00314008/step Wall: 14736.9, 0.00314008/step, 0.31645 hours remaining, 240.468750 MB of memory in use. ENERGY: 4637200 4011.6456 20534.6096 14405.0925 233.2416 -203248.5738 2417.1848 0.0000 0.0000 52373.8386 -109272.9610 300.9932 -161646.7996 -108894.6519 299.8238 -54.9805 -21.4316 759589.8067 -14.5090 -14.3501 PRESSURE: 4637400 -113.184 -224.893 2.75909 -224.893 -368.798 -15.6051 2.75902 -15.6044 329.044 GPRESSURE: 4637400 -45.4593 -188.266 13.6763 -146.515 -357.334 -95.6498 22.1899 95.4728 327.707 PRESSAVG: 4637400 76.5006 14.7523 68.6511 14.7523 -47.5446 -35.8505 68.6511 -35.8505 9.87381 GPRESSAVG: 4637400 75.0445 15.8863 68.4048 14.6078 -47.2195 -32.8121 66.3301 -37.9015 10.6826 TIMING: 4637400 CPU: 14737.5, 0.00314153/step Wall: 14737.5, 0.00314153/step, 0.316422 hours remaining, 240.468750 MB of memory in use. ENERGY: 4637400 3924.2926 20525.4490 14498.7613 251.3431 -203484.3658 2814.7510 0.0000 0.0000 52241.3052 -109228.4636 300.2315 -161469.7688 -108865.7529 300.4161 -50.9794 -25.0289 761264.0672 12.9433 12.8359 PRESSURE: 4637600 360.343 -82.5612 42.1897 -82.5601 112.617 -123.01 42.1895 -123.01 125.371 GPRESSURE: 4637600 496.154 -72.8657 -18.4856 -78.8136 81.9109 -113.39 130.294 -178.789 105.211 PRESSAVG: 4637600 67.6589 7.09457 -9.02641 7.09461 -48.3835 66.1387 -9.02641 66.1387 -5.80595 GPRESSAVG: 4637600 67.6137 3.97416 -10.0207 7.88842 -47.5932 65.6942 -8.74665 67.7202 -6.60019 TIMING: 4637600 CPU: 14738.2, 0.00316016/step Wall: 14738.2, 0.00316016/step, 0.318122 hours remaining, 240.468750 MB of memory in use. ENERGY: 4637600 4068.8598 20687.8520 14434.1946 247.9521 -203794.4427 2706.5585 0.0000 0.0000 52266.7940 -109382.2317 300.3780 -161649.0257 -109018.3700 300.3450 199.4434 227.7585 760436.2723 4.4898 4.4734 PRESSURE: 4637800 310.082 209.936 136.33 209.937 -46.5596 -71.509 136.331 -71.5095 44.6206 GPRESSURE: 4637800 218.189 175.556 149.885 102.619 33.7722 -52.1074 0.627059 26.2087 114.625 PRESSAVG: 4637800 59.519 16.2854 -8.35467 16.2854 -57.4591 45.491 -8.35461 45.4909 24.0391 GPRESSAVG: 4637800 61.1109 16.2856 -8.64027 17.2448 -59.0366 45.0029 -7.15888 43.9881 23.7408 TIMING: 4637800 CPU: 14738.8, 0.00320066/step Wall: 14738.8, 0.00320066/step, 0.322022 hours remaining, 240.468750 MB of memory in use. ENERGY: 4637800 4056.7944 20633.2109 14452.3553 250.8666 -203390.7318 2637.0145 0.0000 0.0000 52364.3345 -108996.1555 300.9385 -161360.4900 -108623.2807 299.7725 102.7144 122.1956 762056.3251 8.6997 8.6050 PRESSURE: 4638000 169.375 67.5639 183.131 67.5634 66.4263 77.0275 183.132 77.0285 33.3093 GPRESSURE: 4638000 153.245 37.7399 157.819 31.4787 177.307 10.0255 81.1944 195.721 28.8691 PRESSAVG: 4638000 79.859 18.8607 -37.9178 18.8607 -48.9073 33.8639 -37.9178 33.864 -9.10213 GPRESSAVG: 4638000 78.0421 17.4413 -37.2896 17.8483 -47.9486 34.5883 -39.1152 35.0896 -7.96843 TIMING: 4638000 CPU: 14739.4, 0.00318378/step Wall: 14739.4, 0.00318378/step, 0.320147 hours remaining, 240.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4638000 4058.6856 20668.6201 14378.6986 240.7596 -203717.7435 2686.2163 0.0000 0.0000 52542.4010 -109142.3623 301.9619 -161684.7633 -108777.7571 300.0398 89.7036 119.8068 761101.8879 7.2832 7.3750 PRESSURE: 4638200 20.0104 20.1111 -124.494 20.1121 -8.23231 -164.475 -124.494 -164.476 -279.565 GPRESSURE: 4638200 94.2959 9.00422 -103.573 7.73661 17.1234 -174.887 -118.481 -45.3902 -266.822 PRESSAVG: 4638200 23.1388 -1.07332 27.4823 -1.07333 -92.9384 3.87902 27.4823 3.87888 -8.47795 GPRESSAVG: 4638200 23.4645 1.73602 28.1082 -2.56134 -93.9798 3.0644 27.8926 5.5959 -7.82021 TIMING: 4638200 CPU: 14740.1, 0.00318129/step Wall: 14740.1, 0.00318129/step, 0.31972 hours remaining, 240.468750 MB of memory in use. ENERGY: 4638200 3915.4774 20716.2214 14422.1079 238.2675 -203370.6753 2554.3561 0.0000 0.0000 52255.8933 -109268.3517 300.3153 -161524.2450 -108901.3224 300.1360 -89.2622 -51.8008 762888.7683 -26.0925 -26.1118 PRESSURE: 4638400 -135.301 -185.951 -125.152 -185.951 34.347 20.644 -125.151 20.6455 329.452 GPRESSURE: 4638400 -99.8113 -167.891 -118.022 -256.644 106.446 -43.3695 -12.4928 -19.0895 312.147 PRESSAVG: 4638400 58.1986 -32.5089 -20.5619 -32.5089 -90.1706 -25.0491 -20.5619 -25.0492 -1.55949 GPRESSAVG: 4638400 58.5116 -31.98 -20.0618 -29.9098 -89.338 -24.6137 -20.5551 -27.2853 -3.39439 TIMING: 4638400 CPU: 14740.7, 0.00314561/step Wall: 14740.7, 0.00314561/step, 0.315959 hours remaining, 240.468750 MB of memory in use. ENERGY: 4638400 3908.8552 20550.9509 14484.4618 249.0837 -203338.2236 2618.2184 0.0000 0.0000 52241.8875 -109284.7660 300.2348 -161526.6535 -108912.2545 300.0004 76.1661 106.2603 761737.7863 -11.1772 -11.4069 PRESSURE: 4638600 -60.1234 242.672 -2.39689 242.672 -58.8484 177.812 -2.39715 177.811 -54.5098 GPRESSURE: 4638600 2.04284 186.833 -90.1787 229.653 34.1016 262.808 103.756 125.95 -141.216 PRESSAVG: 4638600 42.4492 -2.01951 44.7133 -2.01957 -58.2606 -19.4214 44.7134 -19.4214 -22.2189 GPRESSAVG: 4638600 42.9815 -5.79304 44.3324 -1.44358 -58.6737 -18.7038 44.4099 -19.0495 -22.2649 TIMING: 4638600 CPU: 14741.3, 0.00316534/step Wall: 14741.3, 0.00316534/step, 0.317765 hours remaining, 240.468750 MB of memory in use. ENERGY: 4638600 4020.3113 20648.0406 14481.1296 243.0556 -203591.4147 2826.1954 0.0000 0.0000 52259.0566 -109113.6255 300.3335 -161372.6822 -108749.2689 300.0877 -57.8272 -35.0240 762166.0217 -12.6768 -12.6523 PRESSURE: 4638800 -147.497 -321.933 -196.099 -321.933 4.41468 -9.16378 -196.099 -9.1638 -14.6351 GPRESSURE: 4638800 -2.27953 -134.567 -146.524 -253.866 -48.5796 -45.3909 -199.001 -32.0488 -13.9286 PRESSAVG: 4638800 43.9874 -14.7189 40.1616 -14.7189 -4.68063 6.11136 40.1616 6.11145 -10.6653 GPRESSAVG: 4638800 43.4071 -13.4454 42.4474 -15.3084 -5.89234 4.74779 38.9999 6.82391 -9.15064 TIMING: 4638800 CPU: 14742, 0.00318984/step Wall: 14742, 0.00318984/step, 0.320048 hours remaining, 240.468750 MB of memory in use. ENERGY: 4638800 3986.3605 20690.3921 14406.9065 272.3772 -203349.2501 2558.9473 0.0000 0.0000 52409.9350 -109024.3315 301.2006 -161434.2665 -108651.4579 300.5307 -52.5725 -21.5959 763275.0304 9.5472 9.4547 PRESSURE: 4639000 122.689 -202.766 94.8089 -202.767 205.323 -176.72 94.8093 -176.72 -45.1979 GPRESSURE: 4639000 154.966 -201.069 89.0324 -209.102 127.194 -156.275 90.7127 -141.298 92.6468 PRESSAVG: 4639000 2.88577 -31.4321 -26.4857 -31.4321 25.578 -2.74759 -26.4857 -2.7476 2.00939 GPRESSAVG: 4639000 3.47277 -30.1083 -27.6152 -31.5492 25.8383 -1.57529 -26.3505 -3.72721 1.32962 TIMING: 4639000 CPU: 14742.6, 0.00317755/step Wall: 14742.6, 0.00317755/step, 0.318637 hours remaining, 240.468750 MB of memory in use. ENERGY: 4639000 4063.0972 20454.2276 14419.2982 277.7497 -204017.8470 3026.4211 0.0000 0.0000 52390.5458 -109386.5073 301.0892 -161777.0531 -109014.3161 300.6126 94.2713 124.9356 762707.2550 10.1577 10.2136 PRESSURE: 4639200 -276.286 12.1583 73.1184 12.1583 -159.935 -193.252 73.1178 -193.252 -180.123 GPRESSURE: 4639200 -264.34 55.2827 57.6103 7.17064 -94.8824 -212.963 -30.5877 -142.415 -156.652 PRESSAVG: 4639200 -33.4315 7.18643 -19.9783 7.1864 6.13984 -14.4715 -19.9782 -14.4716 30.8101 GPRESSAVG: 4639200 -33.063 8.53901 -20.2951 5.5904 6.90155 -14.8816 -19.9716 -14.8831 30.3677 TIMING: 4639200 CPU: 14743.2, 0.00317585/step Wall: 14743.2, 0.00317585/step, 0.318291 hours remaining, 240.468750 MB of memory in use. ENERGY: 4639200 4075.2869 20467.6688 14412.1646 257.4200 -203955.2220 2851.8622 0.0000 0.0000 52345.0296 -109545.7899 300.8276 -161890.8195 -109180.9596 299.6100 -205.4481 -171.9582 761987.6707 1.1728 1.4021 PRESSURE: 4639400 -76.9888 -310.964 -368.986 -310.965 -81.8742 -90.8839 -368.986 -90.8842 26.0335 GPRESSURE: 4639400 -83.0551 -405.781 -270.891 -187.631 -65.8934 27.4924 -199.764 -212.618 104.581 PRESSAVG: 4639400 -29.1305 -25.9279 3.01521 -25.9278 5.61836 5.79697 3.01524 5.79698 -7.96408 GPRESSAVG: 4639400 -29.3701 -27.6169 0.814115 -25.331 5.28771 5.74497 5.86394 6.46981 -7.33685 TIMING: 4639400 CPU: 14743.9, 0.00316272/step Wall: 14743.9, 0.00316272/step, 0.316799 hours remaining, 240.468750 MB of memory in use. ENERGY: 4639400 4068.7221 20401.1073 14372.0476 244.0614 -203612.4030 2822.2045 0.0000 0.0000 52140.3646 -109563.8955 299.6514 -161704.2601 -109197.8353 299.2305 -44.2765 -14.7893 760601.4214 -10.4921 -10.4731 PRESSURE: 4639600 -124.57 98.2237 -34.3024 98.2239 115.936 55.3268 -34.3025 55.3276 370.69 GPRESSURE: 4639600 -22.3379 4.00668 -138.661 121.575 101.446 74.6064 27.8284 -34.0335 377.144 PRESSAVG: 4639600 38.043 -0.313331 45.9244 -0.313371 -66.5793 -3.32331 45.9244 -3.3233 30.5744 GPRESSAVG: 4639600 37.6652 -0.332144 47.1388 -0.235686 -65.5973 -4.38042 46.1836 -1.94223 30.1782 TIMING: 4639600 CPU: 14744.5, 0.00315775/step Wall: 14744.5, 0.00315775/step, 0.316125 hours remaining, 240.468750 MB of memory in use. ENERGY: 4639600 4039.1624 20507.6840 14410.6870 261.9022 -203658.9950 2733.0106 0.0000 0.0000 51932.9948 -109773.5540 298.4596 -161706.5489 -109422.9932 298.6650 120.6852 152.0841 761344.0039 0.6793 0.7487 PRESSURE: 4639800 -119.086 -13.9832 -87.8663 -13.9843 -322.368 -74.2448 -87.8671 -74.2447 -239.908 GPRESSURE: 4639800 -121.288 -40.5568 -121.6 -144.344 -270.278 -157.94 -62.8629 -86.5935 -200.288 PRESSAVG: 4639800 32.5003 -6.7935 -43.2451 -6.79342 -35.6619 51.1999 -43.245 51.1998 10.4099 GPRESSAVG: 4639800 32.7892 -6.74317 -42.848 -5.58891 -35.8171 51.3975 -45.8633 49.7392 11.038 TIMING: 4639800 CPU: 14745.1, 0.00318465/step Wall: 14745.1, 0.00318465/step, 0.318642 hours remaining, 240.468750 MB of memory in use. ENERGY: 4639800 4059.8905 20547.4314 14377.4833 279.9563 -203668.1005 2520.0145 0.0000 0.0000 52026.9842 -109856.3403 298.9998 -161883.3245 -109497.9626 299.0824 -227.1210 -197.2848 760465.6071 2.4161 2.6700 PRESSURE: 4640000 -185.041 61.4771 -15.8812 61.4767 231.923 -172.973 -15.8809 -172.973 -244.574 GPRESSURE: 4640000 -35.1702 33.4231 24.9916 52.2307 149.894 -138.636 26.1479 -80.1221 -222.844 PRESSAVG: 4640000 -2.71704 8.04819 -6.78449 8.0481 26.353 17.806 -6.78452 17.806 -4.34472 GPRESSAVG: 4640000 -2.42107 6.44355 -7.56619 7.23369 25.8428 19.8147 -3.92846 19.0979 -4.46553 TIMING: 4640000 CPU: 14745.8, 0.00317075/step Wall: 14745.8, 0.00317075/step, 0.317075 hours remaining, 240.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4640000 3910.1269 20651.8460 14458.9200 223.1168 -203799.7046 2596.0824 0.0000 0.0000 52018.9953 -109940.6173 298.9539 -161959.6126 -109568.5265 298.7692 -65.8974 -36.0402 758488.6249 6.4304 6.3187 PRESSURE: 4640200 238.212 12.0734 167.186 12.0729 -136.641 93.8942 167.186 93.8939 -352.891 GPRESSURE: 4640200 327.126 -21.6721 212.672 54.2725 -116.436 -40.214 150.415 95.81 -383.395 PRESSAVG: 4640200 87.5205 12.116 -14.6449 12.116 -79.3887 -0.337199 -14.645 -0.337177 -6.27795 GPRESSAVG: 4640200 88.2068 12.9122 -11.1918 12.6992 -80.2304 -2.16869 -15.672 -0.601246 -6.17859 TIMING: 4640200 CPU: 14746.4, 0.00317007/step Wall: 14746.4, 0.00317007/step, 0.316831 hours remaining, 240.468750 MB of memory in use. ENERGY: 4640200 4057.3995 20354.7399 14463.1572 253.0910 -204036.3361 2887.7722 0.0000 0.0000 52174.5795 -109845.5968 299.8480 -162020.1763 -109475.1184 298.7241 -83.7731 -57.5684 758930.3299 0.6180 0.5993 LDB: ============= START OF LOAD BALANCING ============== 14758.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14758.8 LDB: =============== DONE WITH MIGRATION ================ 14758.8 LDB: ============= START OF LOAD BALANCING ============== 14759.1 LDB: Largest compute 7049 load 0.036816 is 18.8% of average load 0.196057 LDB: Average compute 0.004417 is 2.3% of average load 0.196057 LDB: TIME 14759.1 LOAD: AVG 0.196057 MAX 0.21818 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 14759.1 LOAD: AVG 0.196057 MAX 0.21818 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 14759.1 LOAD: AVG 0.196057 MAX 0.21818 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: ============== END OF LOAD BALANCING =============== 14759.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14759.1 PRESSURE: 4640400 -219.405 -148.632 24.4702 -148.632 -178.133 -120.615 24.4706 -120.615 -396.748 GPRESSURE: 4640400 -201.175 -88.0762 74.0393 -246.957 -148.949 -143.099 -48.1028 -116.546 -375.102 PRESSAVG: 4640400 65.1802 5.32317 -7.76711 5.32318 -6.6676 -36.3602 -7.76707 -36.3602 17.5682 GPRESSAVG: 4640400 64.9955 5.82811 -9.67909 4.23846 -7.03702 -34.6863 -9.0179 -35.4253 18.0253 TIMING: 4640400 CPU: 14747.1, 0.00322779/step Wall: 14747.1, 0.00322779/step, 0.32242 hours remaining, 238.613281 MB of memory in use. ENERGY: 4640400 4014.3354 20717.0224 14487.1380 261.6410 -203953.0662 2653.0089 0.0000 0.0000 52165.5094 -109654.4112 299.7959 -161819.9206 -109296.5861 299.5587 -264.7621 -241.7420 760655.8300 25.3603 25.3279 PRESSURE: 4640600 196.765 -173.725 63.7803 -173.726 125.463 18.3598 63.7805 18.3599 -570.887 GPRESSURE: 4640600 281.479 -202.111 86.3964 -195.969 138.975 -109.762 56.8882 15.973 -581.192 PRESSAVG: 4640600 91.8796 -98.8063 41.352 -98.8063 -69.6591 -60.8686 41.352 -60.8687 -15.0096 GPRESSAVG: 4640600 91.7379 -99.1317 41.9748 -97.6999 -70.048 -61.253 43.1799 -62.4536 -14.9485 TIMING: 4640600 CPU: 14747.7, 0.00317078/step Wall: 14747.7, 0.00317078/step, 0.31655 hours remaining, 238.613281 MB of memory in use. ENERGY: 4640600 3961.7655 20483.4699 14461.1974 277.3188 -203682.5247 2752.2656 0.0000 0.0000 51906.5126 -109839.9948 298.3074 -161746.5074 -109475.0293 298.8908 -82.8862 -53.5792 759366.2158 2.4036 2.2471 PRESSURE: 4640800 145.95 174.858 -94.7376 174.859 5.90897 206.427 -94.7373 206.427 257.824 GPRESSURE: 4640800 189.409 158.059 -114.926 88.7703 93.6945 240.333 35.4447 80.3547 207.095 PRESSAVG: 4640800 2.46436 14.6574 48.7891 14.6573 -59.6593 -25.9144 48.7891 -25.9144 -5.50375 GPRESSAVG: 4640800 0.711174 14.4202 48.2929 13.5262 -57.4814 -24.4891 47.7779 -26.5449 -5.78875 TIMING: 4640800 CPU: 14748.3, 0.00316475/step Wall: 14748.3, 0.00316475/step, 0.315772 hours remaining, 238.613281 MB of memory in use. ENERGY: 4640800 4016.3086 20625.7201 14412.7746 241.0301 -203668.0740 2703.7218 0.0000 0.0000 51655.0019 -110013.5169 296.8620 -161668.5187 -109656.5830 298.2081 136.5608 163.3993 761938.5675 -20.8996 -20.8530 PRESSURE: 4641000 -85.7829 -148.597 96.1231 -148.597 -89.0649 125.795 96.1235 125.794 -491.631 GPRESSURE: 4641000 -61.2843 -231.185 112.343 -106.077 -73.8953 91.6771 -36.1648 58.8664 -442.161 PRESSAVG: 4641000 38.265 -62.5635 22.82 -62.5636 -25.0191 -6.89072 22.82 -6.89071 -0.525951 GPRESSAVG: 4641000 40.0654 -63.6172 21.448 -63.0048 -26.4235 -8.07283 24.2197 -4.66346 -0.430006 TIMING: 4641000 CPU: 14749, 0.00315345/step Wall: 14749, 0.00315345/step, 0.314469 hours remaining, 238.613281 MB of memory in use. ENERGY: 4641000 4027.3818 20662.1267 14407.7378 235.6822 -204135.4137 2758.6722 0.0000 0.0000 51835.6814 -110208.1315 297.9004 -162043.8130 -109856.3646 297.4486 -222.1597 -192.4467 759196.0954 4.2400 4.4040 PRESSURE: 4641200 -215.773 -213.423 19.367 -213.423 -161.214 -22.6232 19.3666 -22.6239 -173.612 GPRESSURE: 4641200 -140.63 -202.713 -42.8636 -253.252 -119.276 32.5271 -16.972 -15.8094 -195.182 PRESSAVG: 4641200 48.7284 -67.799 14.2096 -67.7991 -37.8514 -31.3634 14.2096 -31.3635 25.1301 GPRESSAVG: 4641200 48.7434 -67.6535 14.5791 -66.7799 -37.2166 -30.9383 11.4583 -31.5512 24.9335 TIMING: 4641200 CPU: 14749.6, 0.00314337/step Wall: 14749.6, 0.00314337/step, 0.313289 hours remaining, 238.613281 MB of memory in use. ENERGY: 4641200 3959.8095 20426.4872 14400.1548 263.5870 -203628.5786 2643.3951 0.0000 0.0000 51808.9177 -110126.2272 297.7466 -161935.1450 -109759.6559 298.0530 -183.5329 -151.6961 761506.9710 12.0024 12.1534 PRESSURE: 4641400 6.84953 -190.512 159.193 -190.513 -86.5316 -301.745 159.193 -301.744 -494.727 GPRESSURE: 4641400 20.9139 -151.198 191.581 -206.276 -18.5633 -320.692 54.986 -350.427 -509.757 PRESSAVG: 4641400 14.4711 -75.9769 12.5788 -75.9769 -18.6708 17.1523 12.5788 17.1523 -12.4271 GPRESSAVG: 4641400 12.9623 -72.4046 13.405 -76.8028 -18.1187 16.1878 13.8014 17.9259 -11.4234 TIMING: 4641400 CPU: 14750.2, 0.00316814/step Wall: 14750.2, 0.00316815/step, 0.315582 hours remaining, 238.613281 MB of memory in use. ENERGY: 4641400 3945.1954 20470.7822 14420.4269 244.4060 -203491.8147 2669.1889 0.0000 0.0000 51761.1189 -109980.6964 297.4719 -161741.8153 -109624.6412 298.0163 -191.4697 -169.1355 760462.5921 -5.5423 -5.5266 PRESSURE: 4641600 -258.719 -132.287 44.6573 -132.287 -267.901 122.171 44.6586 122.171 -350.042 GPRESSURE: 4641600 -251.415 -196.77 10.7009 -83.8833 -225.317 90.1544 73.5366 113.938 -315.551 PRESSAVG: 4641600 59.6564 -43.4053 27.4338 -43.4053 -39.936 -47.6261 27.4338 -47.626 15.487 GPRESSAVG: 4641600 60.4704 -45.1997 29.1774 -44.1359 -40.2123 -48.9323 26.5365 -46.3836 14.7934 TIMING: 4641600 CPU: 14750.9, 0.00317361/step Wall: 14750.9, 0.00317361/step, 0.315951 hours remaining, 238.613281 MB of memory in use. ENERGY: 4641600 4036.2261 20463.1565 14337.1249 253.3825 -202888.8201 2207.7126 0.0000 0.0000 51877.1135 -109714.1040 298.1385 -161591.2175 -109354.4370 297.7231 -292.2208 -264.0943 762982.4982 11.7358 11.6838 PRESSURE: 4641800 -88.9527 -227.036 -135.426 -227.035 41.0053 -55.3751 -135.426 -55.3759 33.6959 GPRESSURE: 4641800 22.6678 -334.043 -70.2308 -176.316 52.7942 -55.5286 -7.74897 -76.8271 7.91041 PRESSAVG: 4641800 38.0889 -22.2775 -28.694 -22.2776 -50.8481 -27.6847 -28.6941 -27.6846 17.4716 GPRESSAVG: 4641800 38.6844 -20.9167 -30.7006 -22.9001 -52.1313 -25.7499 -26.5318 -29.1307 18.1226 TIMING: 4641800 CPU: 14751.5, 0.00317749/step Wall: 14751.5, 0.00317749/step, 0.31616 hours remaining, 238.613281 MB of memory in use. ENERGY: 4641800 3917.7225 20476.8303 14485.1540 257.8951 -202955.2172 2285.4533 0.0000 0.0000 51809.3215 -109722.8405 297.7489 -161532.1621 -109354.4050 298.3682 -4.7505 27.7908 760833.4266 1.5708 1.5586 PRESSURE: 4642000 203.419 -90.8821 64.4647 -90.8822 145.745 -168.579 64.4644 -168.579 -16.9524 GPRESSURE: 4642000 240.265 -124.636 -10.993 -120.921 218.693 -146.415 174.713 -253.598 -21.1874 PRESSAVG: 4642000 77.2572 -116.864 -25.4946 -116.864 -37.4823 -40.1699 -25.4946 -40.1699 14.2202 GPRESSAVG: 4642000 75.9174 -117.08 -25.124 -113.985 -35.9931 -39.8889 -23.3428 -42.4812 13.0767 TIMING: 4642000 CPU: 14752.1, 0.00320541/step Wall: 14752.1, 0.0032054/step, 0.31876 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4642000 3974.1393 20246.5608 14438.7533 240.1735 -203425.3230 2575.5802 0.0000 0.0000 52157.8050 -109792.3109 299.7516 -161950.1159 -109430.7208 298.7291 110.7372 145.9234 760603.2952 17.9984 17.6670 PRESSURE: 4642200 -133.893 88.0507 205.954 88.0509 -325.671 -134.11 205.954 -134.11 -609.738 GPRESSURE: 4642200 -69.9946 35.1986 144.829 171.05 -350.392 -112.69 132.159 34.6286 -563.638 PRESSAVG: 4642200 16.4351 -22.1915 40.769 -22.1916 0.181565 -42.3813 40.769 -42.3814 -17.9601 GPRESSAVG: 4642200 17.9485 -22.2226 39.5997 -24.3414 -1.89164 -41.5982 38.8646 -39.4536 -17.5758 TIMING: 4642200 CPU: 14752.8, 0.00321132/step Wall: 14752.8, 0.00321132/step, 0.319169 hours remaining, 238.613281 MB of memory in use. ENERGY: 4642200 3966.8843 20387.1210 14369.3132 272.1211 -203098.0699 2277.5258 0.0000 0.0000 52227.4714 -109597.6333 300.1520 -161825.1047 -109227.6759 298.9998 -356.4341 -328.0081 760501.7768 -0.4478 -0.5063 PRESSURE: 4642400 -29.1666 16.0067 -51.5412 16.0058 -457.907 -8.77105 -51.5409 -8.77054 -165.761 GPRESSURE: 4642400 4.32903 71.7722 -97.4997 -74.4488 -462.218 -95.9609 75.9171 -109.386 -104.184 PRESSAVG: 4642400 34.3223 -7.78756 52.021 -7.78751 -23.4075 5.93635 52.0211 5.93632 16.6696 GPRESSAVG: 4642400 34.059 -6.92926 52.2069 -6.5739 -23.2089 4.87485 52.6011 5.69672 16.5593 TIMING: 4642400 CPU: 14753.4, 0.00320156/step Wall: 14753.4, 0.00320156/step, 0.318022 hours remaining, 238.613281 MB of memory in use. ENERGY: 4642400 4017.9761 20544.8032 14318.3976 229.6561 -203155.2713 2340.2415 0.0000 0.0000 52118.3446 -109585.8521 299.5248 -161704.1968 -109222.7428 299.0710 -217.6116 -187.3579 761114.0688 9.1948 9.1365 PRESSURE: 4642600 377.581 -77.4408 -136.226 -77.4408 -75.7637 75.4344 -136.225 75.4346 87.5142 GPRESSURE: 4642600 406.954 -89.0885 -147.646 -113.369 -36.2274 78.4614 -4.74863 69.1224 88.2277 PRESSAVG: 4642600 85.6943 -21.8164 -41.5266 -21.8164 -74.4061 -47.7229 -41.5266 -47.7228 1.84958 GPRESSAVG: 4642600 86.0444 -21.6746 -39.9928 -21.5678 -73.5428 -47.672 -43.2496 -48.8038 0.669812 TIMING: 4642600 CPU: 14754.1, 0.00320285/step Wall: 14754.1, 0.00320285/step, 0.317972 hours remaining, 238.613281 MB of memory in use. ENERGY: 4642600 3953.7608 20556.1261 14397.1486 238.7633 -203507.2371 2703.5892 0.0000 0.0000 52116.8664 -109540.9826 299.5163 -161657.8491 -109174.1878 299.5527 129.7771 152.9848 761080.7935 4.3792 4.3905 PRESSURE: 4642800 -121.417 -343.768 -218.898 -343.768 -137.632 -43.3777 -218.897 -43.3772 -150.656 GPRESSURE: 4642800 -116.458 -312.807 -195.366 -228.612 -132.406 -92.5619 -66.1898 23.6304 -82.6181 PRESSAVG: 4642800 3.35066 -17.7836 -9.54031 -17.7835 17.7342 -33.8763 -9.54028 -33.8763 -28.3418 GPRESSAVG: 4642800 2.44645 -18.4596 -9.41 -17.3889 17.0213 -34.3906 -11.0953 -33.4493 -27.2338 TIMING: 4642800 CPU: 14754.7, 0.00321982/step Wall: 14754.7, 0.00321982/step, 0.319478 hours remaining, 238.613281 MB of memory in use. ENERGY: 4642800 4056.3403 20552.8871 14402.3485 240.3794 -203306.7869 2706.6198 0.0000 0.0000 51833.7915 -109514.4203 297.8895 -161348.2118 -109157.3955 299.1887 -136.5680 -110.4942 761734.0336 -2.4190 -2.5887 PRESSURE: 4643000 135.269 -13.4629 -30.969 -13.4624 -109.154 -20.0945 -30.9696 -20.0944 -415.674 GPRESSURE: 4643000 127.271 -131.698 -43.4108 98.7637 -70.1961 -70.2419 23.5467 49.3036 -381.295 PRESSAVG: 4643000 46.1427 -26.3253 -19.07 -26.3253 -45.6759 -1.9232 -19.0701 -1.92311 -1.58746 GPRESSAVG: 4643000 46.3023 -28.2057 -19.729 -25.0966 -45.9814 -1.63374 -16.7457 -2.25615 -1.05454 TIMING: 4643000 CPU: 14755.3, 0.00321955/step Wall: 14755.3, 0.00321955/step, 0.319272 hours remaining, 238.613281 MB of memory in use. ENERGY: 4643000 3991.0924 20710.7703 14451.0310 262.2190 -203263.0459 2382.0988 0.0000 0.0000 52217.9947 -109247.8397 300.0975 -161465.8345 -108889.8890 299.7914 -129.8529 -108.0734 760139.8839 -0.3735 -0.2445 PRESSURE: 4643200 -177.243 56.4561 4.08282 56.4569 -268.668 43.7412 4.08265 43.7404 306.358 GPRESSURE: 4643200 -135.882 60.1479 -71.1601 -53.1514 -222.558 25.4326 -96.3693 -4.33132 321.107 PRESSAVG: 4643200 80.2021 -51.7926 6.08205 -51.7926 -54.9838 25.3394 6.08201 25.3394 -14.4183 GPRESSAVG: 4643200 78.5599 -51.3219 5.29707 -51.8653 -53.7203 25.8757 7.32592 25.0263 -14.6026 TIMING: 4643200 CPU: 14756, 0.00320678/step Wall: 14756, 0.00320678/step, 0.317828 hours remaining, 238.613281 MB of memory in use. ENERGY: 4643200 3957.3324 20484.3072 14454.2662 245.2373 -203138.3351 2433.4012 0.0000 0.0000 52201.9377 -109361.8532 300.0053 -161563.7908 -109006.1195 299.9140 -46.5176 -12.4443 761632.4872 3.6000 3.4124 PRESSURE: 4643400 88.7771 175.342 46.6909 175.342 -126.903 -18.2911 46.6905 -18.2901 182.494 GPRESSURE: 4643400 96.2229 185.143 183.71 162.219 -56.7394 -72.2307 -168.231 43.4244 195.394 PRESSAVG: 4643400 17.1267 29.4956 -34.7525 29.4955 2.04706 69.6732 -34.7525 69.6731 -19.1446 GPRESSAVG: 4643400 18.4524 30.4786 -35.2466 28.0775 1.42308 69.292 -36.4349 69.0962 -19.6068 TIMING: 4643400 CPU: 14756.6, 0.00321663/step Wall: 14756.6, 0.00321663/step, 0.318625 hours remaining, 238.613281 MB of memory in use. ENERGY: 4643400 4033.0778 20589.8340 14433.9002 243.3321 -203287.3382 2382.5754 0.0000 0.0000 52226.0950 -109378.5236 300.1441 -161604.6186 -109021.6227 299.8119 48.1226 78.2924 761818.7638 0.0097 0.0896 PRESSURE: 4643600 -287.264 105.557 -43.9874 105.557 92.2177 -20.4121 -43.9875 -20.4129 153.12 GPRESSURE: 4643600 -195.76 171.07 -62.0938 108.442 89.8881 64.2434 62.9372 -54.2226 144.465 PRESSAVG: 4643600 -34.3846 28.5484 -4.50733 28.5483 5.6599 -18.3871 -4.50734 -18.3871 7.59197 GPRESSAVG: 4643600 -34.4411 30.5488 -4.61725 28.4993 5.1959 -18.2337 -3.71743 -18.8091 7.74278 TIMING: 4643600 CPU: 14757.3, 0.00318421/step Wall: 14757.3, 0.00318421/step, 0.315237 hours remaining, 238.613281 MB of memory in use. ENERGY: 4643600 4059.5299 20632.6609 14551.0609 248.4052 -203493.3195 2454.7010 0.0000 0.0000 52001.8893 -109545.0723 298.8556 -161546.9616 -109195.0953 299.2296 -13.9756 12.8646 761033.4557 -7.0443 -7.1675 PRESSURE: 4643800 147.253 -70.8794 122.176 -70.8784 -23.4217 -260.511 122.176 -260.513 -479.627 GPRESSURE: 4643800 239.338 -48.7359 199.264 12.4664 -45.4858 -182.664 61.2701 -105.847 -464.059 PRESSAVG: 4643800 15.3825 25.8156 11.4804 25.8156 -3.20809 -6.68106 11.4803 -6.68107 -24.9965 GPRESSAVG: 4643800 16.2419 24.4581 13.9449 25.0211 -3.50998 -7.11797 9.35654 -5.57708 -25.9021 TIMING: 4643800 CPU: 14757.9, 0.00318689/step Wall: 14757.9, 0.00318689/step, 0.315325 hours remaining, 238.613281 MB of memory in use. ENERGY: 4643800 3984.9625 20639.0293 14475.0450 257.1693 -203050.2975 2479.1652 0.0000 0.0000 51812.4922 -109402.4339 297.7671 -161214.9261 -109045.1868 299.2171 -118.5983 -90.0691 762945.0135 -4.2740 -4.3900 PRESSURE: 4644000 53.0206 -102.645 13.5179 -102.645 -58.5253 -17.5831 13.5185 -17.5827 -58.503 GPRESSURE: 4644000 112.91 -139.17 -11.1889 -73.5661 -46.8882 -4.66533 -98.5345 -88.1176 -36.1038 PRESSAVG: 4644000 59.8721 -32.1113 40.4093 -32.1112 -26.7761 26.6737 40.4092 26.6738 -4.49535 GPRESSAVG: 4644000 59.5386 -32.6032 39.9052 -30.9006 -26.407 27.0835 41.7071 27.471 -4.05128 TIMING: 4644000 CPU: 14758.5, 0.0031812/step Wall: 14758.5, 0.0031812/step, 0.314585 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4644000 4065.4786 20623.7140 14472.0090 244.1908 -203459.1301 2277.7544 0.0000 0.0000 52241.6979 -109534.2854 300.2338 -161775.9833 -109175.0174 299.4914 -21.3359 9.9726 760329.2228 9.5336 9.6934 PRESSURE: 4644200 -36.6954 44.285 -230.88 44.285 -315.642 183.779 -230.88 183.778 211.466 GPRESSURE: 4644200 21.8802 9.89398 -243.329 68.2277 -230.911 208.972 -274.79 133.351 137.474 PRESSAVG: 4644200 32.6719 -27.2973 18.6564 -27.2973 -21.3409 5.51657 18.6565 5.51664 -27.9959 GPRESSAVG: 4644200 31.6453 -27.4206 17.7329 -28.8243 -20.5439 5.24102 20.6228 5.25705 -27.7358 TIMING: 4644200 CPU: 14759.2, 0.00320565/step Wall: 14759.2, 0.00320565/step, 0.316825 hours remaining, 238.613281 MB of memory in use. ENERGY: 4644200 4001.1565 20509.0334 14463.0181 229.9566 -203297.6805 2454.6191 0.0000 0.0000 52267.0294 -109372.8674 300.3793 -161639.8968 -109005.9254 299.8365 -46.9571 -23.8523 761231.0948 -5.5550 -5.5448 LDB: ============= START OF LOAD BALANCING ============== 14771.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14771.6 LDB: =============== DONE WITH MIGRATION ================ 14771.6 LDB: ============= START OF LOAD BALANCING ============== 14771.9 LDB: Largest compute 7075 load 0.038965 is 19.9% of average load 0.196044 LDB: Average compute 0.004411 is 2.2% of average load 0.196044 LDB: TIME 14771.9 LOAD: AVG 0.196044 MAX 0.222238 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 14771.9 LOAD: AVG 0.196044 MAX 0.222238 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 14771.9 LOAD: AVG 0.196044 MAX 0.222238 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 14771.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14771.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 4644400 -18.9121 -93.9664 151.022 -93.966 -1.83 -71.3945 151.022 -71.3954 -60.7737 GPRESSURE: 4644400 76.678 -197.143 215.702 -101.151 -87.6943 14.6797 56.1122 -144.371 3.56559 PRESSAVG: 4644400 28.4391 -3.27628 -27.6292 -3.27624 0.726511 7.76663 -27.6293 7.76664 2.84621 GPRESSAVG: 4644400 28.9247 -3.30345 -26.3529 -4.0442 -0.791864 7.48036 -30.1458 7.26496 3.59061 TIMING: 4644400 CPU: 14759.8, 0.0032764/step Wall: 14759.8, 0.0032764/step, 0.323636 hours remaining, 238.613281 MB of memory in use. ENERGY: 4644400 4009.1098 20787.5269 14507.8584 248.2799 -203162.2953 2272.2913 0.0000 0.0000 52139.4024 -109197.8267 299.6459 -161337.2291 -108833.3214 300.2821 -27.1719 -2.4836 761572.4204 10.6706 10.5745 PRESSURE: 4644600 29.4971 92.2288 -105.457 92.229 -83.5277 174.558 -105.457 174.559 -253.345 GPRESSURE: 4644600 67.4101 -10.7232 -78.9366 30.9632 -73.334 207.133 -81.0366 103.656 -215.186 PRESSAVG: 4644600 -0.72952 -64.5544 6.37084 -64.5543 -3.45615 16.6004 6.37094 16.6004 -16.4652 GPRESSAVG: 4644600 -1.79763 -63.0052 4.28857 -63.0359 -2.24678 17.7504 6.17847 15.6286 -16.8469 TIMING: 4644600 CPU: 14760.5, 0.00320603/step Wall: 14760.5, 0.00320603/step, 0.316507 hours remaining, 238.683594 MB of memory in use. ENERGY: 4644600 3972.7475 20588.8842 14456.9871 250.4969 -203288.1465 2685.6158 0.0000 0.0000 52162.9396 -109170.4753 299.7811 -161333.4150 -108797.5558 300.1851 -102.4586 -73.7033 761346.8780 -6.8836 -6.9638 PRESSURE: 4644800 -41.0462 -22.6124 -141.598 -22.6124 -88.8816 -109.887 -141.598 -109.887 182.928 GPRESSURE: 4644800 -17.1146 -97.5901 -247.338 -40.8011 -33.1652 -127.336 -38.6945 -196.205 175.232 PRESSAVG: 4644800 -29.7706 -33.406 -23.5168 -33.4059 -16.3221 33.5344 -23.5168 33.5343 -2.18262 GPRESSAVG: 4644800 -29.2071 -36.1029 -22.9918 -34.1624 -16.7305 32.7949 -22.9556 34.5156 -2.3582 TIMING: 4644800 CPU: 14761.1, 0.00318225/step Wall: 14761.1, 0.00318224/step, 0.313981 hours remaining, 238.683594 MB of memory in use. ENERGY: 4644800 4015.3667 20564.5668 14471.2864 245.8651 -203358.1342 2708.2055 0.0000 0.0000 52156.6741 -109196.1696 299.7451 -161352.8436 -108839.9867 299.8554 17.6667 41.6506 760011.1603 -16.0918 -16.0986 PRESSURE: 4645000 -195.284 53.9294 -134.171 53.9298 87.394 14.2685 -134.171 14.268 301.437 GPRESSURE: 4645000 -186.558 41.949 -190.515 -68.4734 138.3 -61.3767 -190.472 81.3825 322.116 PRESSAVG: 4645000 25.4834 -56.7875 -30.2168 -56.7876 -23.7204 38.8592 -30.2168 38.8592 3.28411 GPRESSAVG: 4645000 25.2596 -54.2417 -31.1884 -58.0683 -24.0955 37.5879 -29.922 39.9393 3.67513 TIMING: 4645000 CPU: 14761.8, 0.00321044/step Wall: 14761.8, 0.00321044/step, 0.316585 hours remaining, 238.683594 MB of memory in use. ENERGY: 4645000 3999.4930 20510.5226 14410.1040 230.8978 -203358.4526 2733.3425 0.0000 0.0000 52323.2544 -109150.8384 300.7025 -161474.0928 -108786.4326 299.6924 64.5158 91.2859 760390.9394 1.6824 1.6131 PRESSURE: 4645200 -392.974 45.0223 14.8956 45.0214 -387.012 -200.19 14.8954 -200.191 60.7917 GPRESSURE: 4645200 -255.141 41.3114 53.6702 54.1351 -420.878 -269.902 25.4126 -202.684 26.8286 PRESSAVG: 4645200 9.63799 -51.8685 -76.6473 -51.8686 -11.1917 31.7715 -76.6474 31.7715 0.830062 GPRESSAVG: 4645200 9.06542 -53.015 -75.5916 -50.0613 -10.4835 33.2731 -77.1479 29.9666 0.877127 TIMING: 4645200 CPU: 14762.4, 0.00315318/step Wall: 14762.4, 0.00315318/step, 0.310764 hours remaining, 238.683594 MB of memory in use. ENERGY: 4645200 4002.5678 20562.9068 14437.7321 252.5430 -202577.4161 1899.0706 0.0000 0.0000 52281.4408 -109141.1549 300.4622 -161422.5957 -108770.2526 300.2544 -239.7314 -216.3965 761655.4236 -0.2412 -0.1803 PRESSURE: 4645400 28.7694 140.491 228.532 140.491 285.196 123.376 228.532 123.376 354.191 GPRESSURE: 4645400 86.9204 172.087 266.562 41.7039 369.122 72.9972 292.635 -41.2828 303.681 PRESSAVG: 4645400 42.5205 -22.5665 44.6761 -22.5666 -20.6716 2.80419 44.6761 2.80426 10.5588 GPRESSAVG: 4645400 44.7725 -21.0431 44.8538 -22.9931 -21.2786 3.10816 45.9343 3.30754 9.5985 TIMING: 4645400 CPU: 14763, 0.00317724/step Wall: 14763, 0.00317724/step, 0.312958 hours remaining, 238.683594 MB of memory in use. ENERGY: 4645400 3975.1537 20686.3514 14396.3409 265.7899 -203134.2261 2598.1100 0.0000 0.0000 52089.2182 -109123.2620 299.3575 -161212.4801 -108762.7622 299.8075 222.7188 253.2411 761140.3492 10.8026 11.0308 PRESSURE: 4645600 -78.6062 -11.3664 107.489 -11.3663 43.1721 237.642 107.487 237.641 -94.8159 GPRESSURE: 4645600 13.9154 -87.6378 163.39 -9.03458 27.9945 193.374 -65.5448 282.624 -88.0135 PRESSAVG: 4645600 12.8936 -64.7346 8.79142 -64.7346 -19.0865 10.7898 8.79143 10.7898 11.0381 GPRESSAVG: 4645600 11.0943 -66.6399 7.39046 -63.6588 -18.9881 9.64976 6.45461 12.6395 12.3349 TIMING: 4645600 CPU: 14763.7, 0.00315717/step Wall: 14763.7, 0.00315717/step, 0.310806 hours remaining, 238.683594 MB of memory in use. ENERGY: 4645600 4019.0772 20518.5577 14421.6256 257.2159 -202808.7863 2312.6268 0.0000 0.0000 52090.3531 -109189.3299 299.3640 -161279.6831 -108836.0456 300.1722 -43.4167 -15.3679 761667.9897 1.6151 1.4804 PRESSURE: 4645800 -177.172 -245.963 -270.511 -245.964 139.46 -231.75 -270.51 -231.749 -50.136 GPRESSURE: 4645800 -123.863 -223.18 -172.133 -152.235 113.614 -161.405 -177.118 -188.938 -4.88259 PRESSAVG: 4645800 0.820448 -70.4589 -20.5583 -70.459 7.35702 -49.8467 -20.5583 -49.8467 -7.47459 GPRESSAVG: 4645800 0.519984 -68.7773 -18.2669 -71.7503 8.18152 -50.3522 -20.6626 -52.0221 -8.20185 TIMING: 4645800 CPU: 14764.3, 0.00319345/step Wall: 14764.3, 0.00319345/step, 0.3142 hours remaining, 238.683594 MB of memory in use. ENERGY: 4645800 4008.2364 20464.1915 14453.0390 252.1901 -203522.1079 2869.4002 0.0000 0.0000 52353.0538 -109121.9968 300.8737 -161475.0507 -108754.4804 299.9033 -29.2828 -5.0438 760484.4698 0.2343 0.1666 PRESSURE: 4646000 36.0844 -41.8063 107.869 -41.8061 -61.4749 -29.2912 107.87 -29.2915 -345.253 GPRESSURE: 4646000 118.076 106.11 87.8743 -78.1347 -114.047 -2.25434 90.9025 35.0444 -313.323 PRESSAVG: 4646000 29.201 -54.6833 -42.7626 -54.6833 -67.3061 2.57422 -42.7624 2.57423 3.93364 GPRESSAVG: 4646000 30.059 -54.02 -43.2215 -54.6453 -68.8374 4.44353 -41.9141 4.40849 4.58191 TIMING: 4646000 CPU: 14764.9, 0.00319911/step Wall: 14764.9, 0.00319911/step, 0.31458 hours remaining, 238.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4646000 4045.1526 20737.8172 14393.5282 262.6881 -202933.8173 2292.5912 0.0000 0.0000 51936.3758 -109265.6643 298.4791 -161202.0401 -108905.1531 300.0258 -123.5478 -103.0980 761938.3825 -11.3905 -11.3988 PRESSURE: 4646200 34.6575 103.744 -228.485 103.744 -167.183 -19.1711 -228.484 -19.1721 -15.0532 GPRESSURE: 4646200 86.8321 106.825 -184.637 71.4254 -160.209 -141.092 -152.253 28.6797 -13.0025 PRESSAVG: 4646200 39.6675 -70.0849 -15.3169 -70.0849 -44.5224 -15.3663 -15.3169 -15.3663 -4.63807 GPRESSAVG: 4646200 39.9443 -70.6006 -15.5497 -67.783 -43.873 -18.141 -13.3085 -14.0025 -5.34471 TIMING: 4646200 CPU: 14765.6, 0.00320479/step Wall: 14765.6, 0.00320479/step, 0.31496 hours remaining, 238.683594 MB of memory in use. ENERGY: 4646200 4003.0795 20633.1957 14403.7635 256.6321 -203206.5959 2589.0981 0.0000 0.0000 52106.8075 -109214.0195 299.4585 -161320.8270 -108844.9069 299.7351 -49.1929 -28.7932 760691.4321 -3.1643 -3.0911 PRESSURE: 4646400 -96.6888 -81.6182 -126.87 -81.6175 -165.723 212.967 -126.869 212.967 203.117 GPRESSURE: 4646400 -21.7522 -21.4766 -59.0944 -28.8112 -130.341 213.26 -63.8945 278.366 159.859 PRESSAVG: 4646400 35.4157 -33.0297 -84.9383 -33.0297 -33.536 30.3889 -84.9383 30.3888 -2.57045 GPRESSAVG: 4646400 35.1826 -32.7768 -84.7844 -32.8457 -32.9612 31.1761 -87.1781 27.9784 -2.84927 TIMING: 4646400 CPU: 14766.2, 0.00321308/step Wall: 14766.2, 0.00321308/step, 0.315596 hours remaining, 238.683594 MB of memory in use. ENERGY: 4646400 3970.3205 20441.7147 14395.5120 235.2469 -202986.1506 2443.5223 0.0000 0.0000 52347.7055 -109152.1287 300.8430 -161499.8341 -108779.1972 299.4144 -19.7650 2.5886 761897.7150 -0.2303 -0.2093 PRESSURE: 4646600 26.4762 -125.745 89.4218 -125.745 112.877 -106.894 89.4223 -106.893 130.931 GPRESSURE: 4646600 20.3286 -162.733 130.224 -106.439 181.993 -105.035 12.0154 -107.362 156.186 PRESSAVG: 4646600 33.6246 -37.4555 -42.887 -37.4555 -28.1301 18.7546 -42.8869 18.7546 18.3395 GPRESSAVG: 4646600 33.4522 -38.784 -44.0545 -39.4246 -28.4886 17.8404 -42.852 21.0351 18.4093 TIMING: 4646600 CPU: 14766.9, 0.00321425/step Wall: 14766.9, 0.00321425/step, 0.315532 hours remaining, 238.683594 MB of memory in use. ENERGY: 4646600 3964.6326 20516.7134 14404.9260 217.0660 -202794.9349 2307.3826 0.0000 0.0000 52196.4442 -109187.7701 299.9737 -161384.2143 -108827.8613 299.5536 90.0945 119.5025 761129.9901 7.9447 7.7910 PRESSURE: 4646800 442.769 58.2796 51.4687 58.28 141.323 116.396 51.4685 116.396 68.6246 GPRESSURE: 4646800 409.671 -66.384 85.4842 -18.1662 165.154 111.829 -34.0663 139.58 159.841 PRESSAVG: 4646800 2.21334 12.4932 -23.92 12.4932 0.664757 4.50702 -23.92 4.50706 -22.2761 GPRESSAVG: 4646800 1.55421 13.3985 -24.3012 12.4274 1.0519 5.87087 -21.6806 3.96423 -22.2403 TIMING: 4646800 CPU: 14767.5, 0.00320856/step Wall: 14767.5, 0.00320856/step, 0.314795 hours remaining, 238.683594 MB of memory in use. ENERGY: 4646800 4044.2973 20331.5765 14359.3742 254.0706 -203043.2128 2672.0958 0.0000 0.0000 51883.1737 -109498.6246 298.1733 -161381.7984 -109137.4723 299.3834 217.5721 244.8889 761941.0531 -6.4660 -6.5447 PRESSURE: 4647000 -114.206 -112.276 178.545 -112.276 -170.93 88.8768 178.544 88.877 18.028 GPRESSURE: 4647000 -7.58546 -111.656 113.432 -139.357 -183.934 144.96 139.494 73.5192 2.08178 PRESSAVG: 4647000 28.3855 -34.9452 21.4315 -34.9452 -8.73537 29.3068 21.4316 29.3068 29.0606 GPRESSAVG: 4647000 29.1808 -37.2923 22.5853 -32.4256 -9.77019 30.2196 20.2256 28.3168 28.8316 TIMING: 4647000 CPU: 14768.1, 0.00315489/step Wall: 14768.1, 0.00315489/step, 0.309354 hours remaining, 238.683594 MB of memory in use. ENERGY: 4647000 3989.8746 20467.9336 14370.3265 231.3599 -203184.2762 2571.8502 0.0000 0.0000 52150.4867 -109402.4446 299.7096 -161552.9314 -109036.0176 299.1266 -89.0359 -63.1460 761575.3029 16.2369 16.0807 PRESSURE: 4647200 -99.5358 127.467 -77.7202 127.467 25.9064 40.5872 -77.7206 40.5872 116.312 GPRESSURE: 4647200 -30.42 103.628 -165.879 147.386 37.6104 -21.0864 -46.4138 163.851 139.211 PRESSAVG: 4647200 56.8706 -20.7759 11.8973 -20.7759 -30.2091 19.7043 11.8973 19.7043 21.2717 GPRESSAVG: 4647200 55.7786 -18.002 12.5344 -23.8819 -29.705 17.9895 10.2192 22.2384 21.8675 TIMING: 4647200 CPU: 14768.8, 0.00319462/step Wall: 14768.8, 0.00319462/step, 0.313073 hours remaining, 238.683594 MB of memory in use. ENERGY: 4647200 3930.8124 20475.0489 14340.9412 230.8603 -203373.8646 2861.0170 0.0000 0.0000 51838.6323 -109696.5526 297.9173 -161535.1849 -109330.6668 298.9330 14.2276 48.8006 762802.5206 15.9778 15.9804 PRESSURE: 4647400 22.2086 160.668 -41.2058 160.667 34.0443 -71.6702 -41.2062 -71.6698 422.801 GPRESSURE: 4647400 61.1692 177.262 -50.7883 116.161 115.801 -114.144 116.495 -87.6561 387.164 PRESSAVG: 4647400 -0.279058 7.47329 -15.4203 7.47328 -7.46781 31.7173 -15.4202 31.7173 13.1836 GPRESSAVG: 4647400 0.801632 5.84606 -15.2507 8.11664 -7.26986 31.6917 -13.4079 29.6435 12.0736 TIMING: 4647400 CPU: 14769.4, 0.00317035/step Wall: 14769.4, 0.00317035/step, 0.310518 hours remaining, 238.683594 MB of memory in use. ENERGY: 4647400 3904.2811 20575.6273 14366.7226 236.2416 -203148.4715 2621.5717 0.0000 0.0000 51752.5767 -109691.4504 297.4228 -161444.0271 -109340.7374 298.2108 159.6847 188.0446 761784.0602 1.8123 1.8685 PRESSURE: 4647600 -118.166 135.512 71.4627 135.511 -113.938 -199.211 71.4623 -199.21 -36.3977 GPRESSURE: 4647600 -53.3195 133.189 47.8291 82.6653 -92.2607 -153.648 191.417 -86.0965 -31.4323 PRESSAVG: 4647600 45.0457 5.54491 -21.3231 5.5449 -71.0416 61.1312 -21.323 61.1312 20.5394 GPRESSAVG: 4647600 44.6371 6.42581 -21.4882 6.51688 -72.0054 60.1543 -21.3505 61.0052 21.7827 TIMING: 4647600 CPU: 14770, 0.00316847/step Wall: 14770, 0.00316847/step, 0.310158 hours remaining, 238.683594 MB of memory in use. ENERGY: 4647600 3922.1564 20312.3544 14416.8702 259.6231 -202708.4342 2218.0639 0.0000 0.0000 52078.3961 -109500.9701 299.2953 -161579.3662 -109131.3807 298.8920 -89.5006 -59.0042 762154.4093 -1.8188 -1.8618 PRESSURE: 4647800 133.858 -52.1922 -76.3025 -52.1916 -26.3184 130.107 -76.302 130.109 -21.2344 GPRESSURE: 4647800 178.47 -18.2732 -89.5887 -82.2465 -18.3183 177.567 77.9327 126.554 11.1025 PRESSAVG: 4647800 48.328 38.5033 -17.6663 38.5033 -16.9789 11.4766 -17.6663 11.4765 -27.5448 GPRESSAVG: 4647800 48.8987 36.6351 -16.8506 39.4836 -17.089 11.7837 -19.6487 12.712 -27.9513 TIMING: 4647800 CPU: 14770.7, 0.0031984/step Wall: 14770.7, 0.0031984/step, 0.31291 hours remaining, 238.683594 MB of memory in use. ENERGY: 4647800 3935.8528 20478.0216 14405.5025 264.8863 -202999.8951 2641.7040 0.0000 0.0000 51850.6280 -109423.3000 297.9863 -161273.9280 -109061.1401 299.2026 28.7685 57.0849 760800.6068 1.2681 1.2861 PRESSURE: 4648000 -163.942 -20.3155 -59.805 -20.3163 -292.858 -97.451 -59.8057 -97.4527 -459.051 GPRESSURE: 4648000 -116.863 49.2586 -18.6201 141.729 -293.945 32.4527 -99.5896 -282.414 -407.498 PRESSAVG: 4648000 110.761 -4.50446 10.9935 -4.50451 -64.6736 19.8563 10.9935 19.8563 5.58628 GPRESSAVG: 4648000 111.082 -1.50127 8.72006 -6.84785 -64.8718 21.3816 12.5991 19.8121 5.14722 TIMING: 4648000 CPU: 14771.3, 0.00319034/step Wall: 14771.3, 0.00319034/step, 0.311944 hours remaining, 238.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4648000 4002.3837 20534.0135 14391.7806 254.2646 -202680.5011 2226.5492 0.0000 0.0000 51818.3098 -109453.1997 297.8005 -161271.5095 -109098.2726 299.4768 -305.2836 -272.7689 760956.5372 17.2246 17.1191 PRESSURE: 4648200 119 -8.28734 82.8343 -8.28758 500.135 85.556 82.835 85.5578 -20.1011 GPRESSURE: 4648200 210.534 -23.3176 91.5227 -112.911 513.039 30.9503 89.6493 192.514 -26.0649 PRESSAVG: 4648200 75.9559 -67.0984 -19.8494 -67.0984 -52.8167 -33.5462 -19.8495 -33.5462 6.74975 GPRESSAVG: 4648200 75.3324 -67.7871 -17.1342 -66.1108 -53.3536 -34.254 -21.0725 -35.5106 8.13546 TIMING: 4648200 CPU: 14771.9, 0.00316903/step Wall: 14771.9, 0.00316903/step, 0.309685 hours remaining, 238.683594 MB of memory in use. ENERGY: 4648200 3924.0946 20502.9012 14440.4814 255.6904 -203517.5209 2753.4891 0.0000 0.0000 52167.7384 -109473.1258 299.8087 -161640.8642 -109120.3367 299.5613 199.6781 232.5028 759839.0959 9.9630 10.0381 LDB: ============= START OF LOAD BALANCING ============== 14784.3 LDB: ============== END OF LOAD BALANCING =============== 14784.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14784.3 LDB: ============= START OF LOAD BALANCING ============== 14784.7 LDB: Largest compute 7049 load 0.036880 is 18.8% of average load 0.196067 LDB: Average compute 0.004392 is 2.2% of average load 0.196067 LDB: TIME 14784.7 LOAD: AVG 0.196067 MAX 0.216663 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 14784.7 LOAD: AVG 0.196067 MAX 0.216663 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 14784.7 LOAD: AVG 0.196067 MAX 0.216663 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14784.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14784.7 PRESSURE: 4648400 -138.299 80.413 90.9233 80.4132 56.3871 66.0361 90.9233 66.0357 391.174 GPRESSURE: 4648400 -112.26 79.065 52.8955 -8.38976 122.706 71.8033 91.8707 -2.21838 422.753 PRESSAVG: 4648400 8.10809 -15.5163 -25.6747 -15.5162 -33.1784 -13.9005 -25.6748 -13.9005 13.2932 GPRESSAVG: 4648400 7.705 -18.1163 -26.5476 -15.375 -31.808 -14.5436 -26.9276 -12.4175 12.7861 TIMING: 4648400 CPU: 14772.6, 0.00325765/step Wall: 14772.6, 0.00325765/step, 0.318164 hours remaining, 238.613281 MB of memory in use. ENERGY: 4648400 3987.6439 20508.0757 14421.2451 229.6785 -202901.2699 2423.6916 0.0000 0.0000 51941.4637 -109389.4714 298.5083 -161330.9351 -109038.0762 299.2871 103.0871 144.3994 759570.7486 -3.9257 -3.7723 PRESSURE: 4648600 -196.357 -144.474 -4.55484 -144.475 146.63 -21.9749 -4.55509 -21.9752 -44.0965 GPRESSURE: 4648600 -120.275 -254.955 81.4102 -9.18438 69.4737 3.77605 10.9235 49.3625 30.2666 PRESSAVG: 4648600 6.17426 -57.4138 -32.1559 -57.4138 -21.699 3.39312 -32.156 3.39323 -2.91361 GPRESSAVG: 4648600 6.34628 -56.811 -33.0392 -56.5608 -22.7725 4.71556 -28.0808 1.88739 -2.0888 TIMING: 4648600 CPU: 14773.2, 0.00316873/step Wall: 14773.2, 0.00316873/step, 0.309303 hours remaining, 238.683594 MB of memory in use. ENERGY: 4648600 4063.3695 20440.7603 14409.8924 241.6902 -203230.4640 2443.7021 0.0000 0.0000 52076.9748 -109554.0747 299.2871 -161631.0495 -109196.3431 299.4117 -31.2743 -6.8451 761835.8238 -6.1461 -6.1717 PRESSURE: 4648800 -75.505 -77.4024 154.704 -77.403 49.4917 -26.7073 154.703 -26.7069 147.685 GPRESSURE: 4648800 -48.0347 115.767 131.821 -103.864 100.662 41.7709 83.2663 -45.5657 160.733 PRESSAVG: 4648800 -29.4649 3.25629 -47.0188 3.25628 -8.32428 32.5095 -47.0188 32.5095 19.7716 GPRESSAVG: 4648800 -30.029 5.1644 -47.8276 0.259401 -8.12915 32.4918 -47.6507 34.2972 19.9646 TIMING: 4648800 CPU: 14773.9, 0.00321395/step Wall: 14773.9, 0.00321395/step, 0.313539 hours remaining, 238.683594 MB of memory in use. ENERGY: 4648800 3991.6447 20455.1382 14459.4066 235.8582 -203077.5610 2515.1545 0.0000 0.0000 52196.3415 -109224.0173 299.9731 -161420.3588 -108864.4696 299.1498 40.5571 71.1201 761452.2057 -6.0058 -6.0645 PRESSURE: 4649000 111.617 19.5032 -23.2264 19.5028 -201.613 -135.001 -23.2262 -135.001 129.872 GPRESSURE: 4649000 157.399 -72.8856 -55.0215 82.4243 -237.169 -143.675 48.6644 -171.72 191.125 PRESSAVG: 4649000 31.1713 30.3673 -22.7453 30.3673 -67.9084 -8.92728 -22.7452 -8.92731 8.66292 GPRESSAVG: 4649000 32.2492 30.5777 -20.1675 33.3475 -68.2402 -9.71284 -24.7986 -8.49591 8.33155 TIMING: 4649000 CPU: 14774.5, 0.00317768/step Wall: 14774.5, 0.00317768/step, 0.309824 hours remaining, 238.683594 MB of memory in use. ENERGY: 4649000 4057.5154 20413.0412 14398.0302 237.7163 -202924.5858 2290.5062 0.0000 0.0000 52256.3488 -109271.4277 300.3180 -161527.7765 -108912.4440 299.7644 13.2923 37.1183 760168.9212 -9.3581 -9.2198 PRESSURE: 4649200 114.164 -109.241 -2.43512 -109.242 -290.699 99.5084 -2.43478 99.5082 -125.768 GPRESSURE: 4649200 110.389 -174.428 15.153 -97.3217 -231.166 129.651 49.5958 122.454 -100.415 PRESSAVG: 4649200 47.2166 -29.2911 -8.69411 -29.2911 -10.3533 37.0768 -8.69408 37.0767 6.17644 GPRESSAVG: 4649200 45.5408 -30.062 -9.47957 -31.017 -9.16616 37.7853 -9.69131 35.738 6.81826 TIMING: 4649200 CPU: 14775.1, 0.00316884/step Wall: 14775.1, 0.00316884/step, 0.308786 hours remaining, 238.683594 MB of memory in use. ENERGY: 4649200 4073.5906 20549.4876 14434.3143 244.3256 -202942.8981 2213.5410 0.0000 0.0000 52031.0484 -109396.5906 299.0232 -161427.6390 -109044.5235 300.0305 -100.7678 -73.7304 760162.5947 14.3466 14.3976 PRESSURE: 4649400 235.251 298.315 299.405 298.315 44.4452 33.461 299.406 33.4616 103.08 GPRESSURE: 4649400 303.039 268.256 335.684 157.151 77.8357 41.7815 173.795 -77.2512 86.8064 PRESSAVG: 4649400 9.30852 -23.3686 -42.7914 -23.3686 0.781332 -25.5159 -42.7913 -25.516 -3.9841 GPRESSAVG: 4649400 10.8333 -23.0823 -43.6832 -23.434 -0.577702 -25.3592 -40.7631 -26.1245 -4.28862 TIMING: 4649400 CPU: 14775.8, 0.00317158/step Wall: 14775.8, 0.00317158/step, 0.308877 hours remaining, 238.683594 MB of memory in use. ENERGY: 4649400 4032.3087 20540.9811 14369.3275 241.6337 -203404.1219 2566.6598 0.0000 0.0000 52436.5136 -109216.6976 301.3534 -161653.2112 -108836.9424 299.7530 127.5923 155.8937 761418.6898 2.0353 1.9890 PRESSURE: 4649600 3.22804 -96.3355 -237.391 -96.3346 -53.4169 -316.929 -237.391 -316.928 -108.057 GPRESSURE: 4649600 80.5179 -215.576 -289.833 -187.411 -83.285 -348.881 -193.174 -180.515 -75.6144 PRESSAVG: 4649600 84.5126 2.21064 37.568 2.21066 -52.2749 4.0506 37.568 4.05066 12.6347 GPRESSAVG: 4649600 85.0067 1.14757 36.8 1.88516 -52.8337 3.65663 38.8897 7.05458 12.5398 TIMING: 4649600 CPU: 14776.4, 0.0031926/step Wall: 14776.4, 0.0031926/step, 0.310747 hours remaining, 238.683594 MB of memory in use. ENERGY: 4649600 4038.3655 20578.6475 14444.5552 254.2129 -203275.6696 2464.3762 0.0000 0.0000 52050.2185 -109445.2939 299.1333 -161495.5124 -109090.4428 299.8983 -52.7487 -26.1272 761665.6616 14.9575 14.9043 PRESSURE: 4649800 -202.986 104.801 186.688 104.801 -345.563 -214.258 186.689 -214.259 -282.337 GPRESSURE: 4649800 -138.44 125.23 114.139 107.499 -310.979 -199.16 149.492 -220.9 -299.736 PRESSAVG: 4649800 52.1327 12.5718 -39.5664 12.5718 -73.1511 -8.65271 -39.5664 -8.65271 2.34695 GPRESSAVG: 4649800 50.4895 13.3765 -40.6658 12.7135 -71.814 -9.97908 -39.4118 -8.62445 2.18652 TIMING: 4649800 CPU: 14777.1, 0.00317851/step Wall: 14777.1, 0.00317851/step, 0.309199 hours remaining, 238.683594 MB of memory in use. ENERGY: 4649800 4088.8374 20513.3880 14398.9798 262.5510 -203093.6687 2364.1692 0.0000 0.0000 52112.3250 -109353.4184 299.4902 -161465.7434 -108991.3479 299.7800 -276.9621 -249.7186 762304.8109 -6.2238 -6.3793 PRESSURE: 4650000 -114.368 -59.6364 -384.388 -59.6369 -22.0956 -132.599 -384.387 -132.6 377.713 GPRESSURE: 4650000 -114.359 -191.493 -344.626 -110.554 56.6945 -143.993 -344.083 -97.8488 391.142 PRESSAVG: 4650000 32.3313 57.2161 -45.0893 57.2162 -48.0306 22.0362 -45.0893 22.0362 16.7474 GPRESSAVG: 4650000 31.6368 57.2835 -43.0967 57.6365 -46.5348 24.6348 -44.2349 19.552 16.1809 TIMING: 4650000 CPU: 14777.7, 0.00319037/step Wall: 14777.7, 0.00319037/step, 0.310175 hours remaining, 238.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4650000 3986.7112 20496.4726 14457.3552 249.1536 -203224.7606 2613.9170 0.0000 0.0000 52054.5021 -109366.6490 299.1579 -161421.1510 -109005.7147 299.8092 80.4164 111.1590 761062.6023 0.3494 0.4276 PRESSURE: 4650200 84.4987 -129.7 0.768414 -129.7 28.0546 16.8937 0.769101 16.8932 62.398 GPRESSURE: 4650200 190.683 -117.521 -21.9896 -137.281 58.9532 -28.4709 -96.4755 -92.5686 1.95015 PRESSAVG: 4650200 57.2296 16.2853 -11.8832 16.2852 -52.2822 24.506 -11.8832 24.506 -4.19234 GPRESSAVG: 4650200 58.2718 14.9974 -11.7939 18.5559 -53.0439 23.7433 -12.961 23.7952 -4.45342 TIMING: 4650200 CPU: 14778.3, 0.00319627/step Wall: 14778.3, 0.00319628/step, 0.310571 hours remaining, 238.683594 MB of memory in use. ENERGY: 4650200 3946.3526 20437.8483 14422.7854 250.5582 -203325.0389 2643.9068 0.0000 0.0000 52116.5979 -109506.9896 299.5148 -161623.5875 -109145.8063 299.5050 58.3171 83.8622 761328.8680 0.2517 0.2581 PRESSURE: 4650400 -142.792 28.9904 -237.131 28.991 -104.201 -18.589 -237.13 -18.5886 356.546 GPRESSURE: 4650400 -101.072 109.273 -193.382 30.956 -100.183 24.8231 -191.824 -151.323 380.464 PRESSAVG: 4650400 35.9809 -61.0773 -0.775445 -61.0772 -66.3998 -22.6206 -0.775488 -22.6207 -9.48252 GPRESSAVG: 4650400 35.5844 -59.1054 -0.444579 -61.4451 -67.0907 -22.6524 -0.577102 -19.3678 -8.5399 TIMING: 4650400 CPU: 14779, 0.0031787/step Wall: 14779, 0.0031787/step, 0.308687 hours remaining, 238.683594 MB of memory in use. ENERGY: 4650400 3920.9773 20449.3929 14363.9790 245.8392 -203057.2100 2480.7844 0.0000 0.0000 52036.9419 -109559.2953 299.0570 -161596.2372 -109191.9921 299.1088 36.5180 59.7363 761239.3708 -13.3005 -13.3487 PRESSURE: 4650600 62.1135 140.203 -66.5056 140.203 -12.7502 99.7311 -66.5061 99.7314 -140.767 GPRESSURE: 4650600 108.264 44.7271 -37.7627 138.954 11.2705 100.935 -48.2665 47.9225 -118.167 PRESSAVG: 4650600 26.3991 -2.80641 -25.8139 -2.80643 -12.7641 5.50677 -25.8139 5.50678 0.702928 GPRESSAVG: 4650600 27.0754 -4.14363 -26.13 -3.82499 -12.5349 4.71187 -27.9235 4.82528 0.530412 TIMING: 4650600 CPU: 14779.6, 0.00320239/step Wall: 14779.6, 0.00320239/step, 0.31081 hours remaining, 238.683594 MB of memory in use. ENERGY: 4650600 3941.7751 20523.5593 14380.6046 246.8597 -203466.0308 2787.9134 0.0000 0.0000 52146.3324 -109438.9863 299.6857 -161585.3187 -109072.5588 299.1227 -30.4677 0.4559 762674.4346 4.7793 5.0236 PRESSURE: 4650800 274.1 -57.1878 -95.4974 -57.1886 38.774 57.3559 -95.4976 57.3548 -208.913 GPRESSURE: 4650800 223.576 28.2305 -68.7097 -30.9876 193.741 -13.8117 -93.308 54.1149 -240.934 PRESSAVG: 4650800 33.9211 -42.0722 18.4325 -42.0722 -58.3779 25.0616 18.4325 25.0616 -12.5168 GPRESSAVG: 4650800 33.7933 -41.5238 18.3944 -41.6134 -58.7259 25.2036 18.33 23.3723 -12.2835 TIMING: 4650800 CPU: 14780.2, 0.00316381/step Wall: 14780.2, 0.00316381/step, 0.30689 hours remaining, 238.683594 MB of memory in use. ENERGY: 4650800 3977.2358 20460.0760 14427.2230 247.4215 -203283.3984 2641.6539 0.0000 0.0000 52001.8175 -109527.9707 298.8552 -161529.7882 -109166.7426 298.4310 34.6537 58.7942 761284.6051 -12.3245 -12.4054 PRESSURE: 4651000 -174.323 37.7882 99.6692 37.7884 -254.376 59.7876 99.6699 59.7868 203.723 GPRESSURE: 4651000 -59.0081 -2.60001 146.507 90.0331 -214.424 63.7886 83.9155 69.3566 138.469 PRESSAVG: 4651000 43.9156 48.1208 58.7403 48.1208 -20.4833 22.6054 58.7402 22.6055 3.33356 GPRESSAVG: 4651000 43.1309 47.4701 58.2731 47.4517 -19.7895 22.6799 58.467 22.1051 3.80484 TIMING: 4651000 CPU: 14780.9, 0.00316958/step Wall: 14780.9, 0.00316958/step, 0.307273 hours remaining, 238.683594 MB of memory in use. ENERGY: 4651000 4124.7492 20386.7503 14454.6153 236.0264 -203206.8532 2544.1043 0.0000 0.0000 51967.0496 -109493.5580 298.6553 -161460.6077 -109125.5482 298.9053 -74.9921 -44.9878 762465.4759 8.9219 9.0487 PRESSURE: 4651200 -64.5385 198.114 -177.619 198.115 -280.309 -166.705 -177.619 -166.705 -190.272 GPRESSURE: 4651200 30.8585 268.35 -174.7 179.132 -272.003 -116.504 -105.72 -65.1913 -216.08 PRESSAVG: 4651200 39.2493 30.4087 -6.78247 30.4088 -33.1102 -23.9149 -6.78241 -23.9149 9.74551 GPRESSAVG: 4651200 39.739 30.8495 -6.86114 29.7091 -33.3867 -22.9324 -5.25897 -24.0075 9.52283 TIMING: 4651200 CPU: 14781.5, 0.00316651/step Wall: 14781.5, 0.00316651/step, 0.306799 hours remaining, 238.683594 MB of memory in use. ENERGY: 4651200 3975.7987 20438.3910 14429.7771 237.0380 -202977.6015 2316.2044 0.0000 0.0000 51979.0241 -109601.3682 298.7242 -161580.3923 -109239.4458 298.9981 -178.3733 -152.4081 763159.4687 5.2949 5.2917 PRESSURE: 4651400 -49.1242 4.78298 -204.334 4.783 66.3435 -120.521 -204.334 -120.522 395.389 GPRESSURE: 4651400 -38.0945 20.5628 -275.039 96.8472 108.068 5.40372 -65.2577 -115.335 410.04 PRESSAVG: 4651400 45.7996 11.5597 18.9796 11.5596 -68.424 -40.0194 18.9796 -40.0195 19.3089 GPRESSAVG: 4651400 45.0146 12.5646 19.2399 13.2143 -68.3891 -41.4905 19.2172 -39.1796 19.7502 TIMING: 4651400 CPU: 14782.1, 0.00315758/step Wall: 14782.1, 0.00315758/step, 0.305759 hours remaining, 238.683594 MB of memory in use. ENERGY: 4651400 3990.0455 20432.8900 14461.9771 237.5481 -203477.5941 2722.5763 0.0000 0.0000 52075.7236 -109556.8335 299.2799 -161632.5572 -109198.0048 298.7424 137.5360 160.0046 761597.5557 -1.1052 -1.2081 PRESSURE: 4651600 -321.75 -105.192 -104.581 -105.191 -88.6058 108.828 -104.579 108.828 -462.196 GPRESSURE: 4651600 -226.589 -6.77782 -66.4312 -145.075 -30.1498 60.7266 -61.2254 157.413 -529.489 PRESSAVG: 4651600 36.681 -15.3293 -2.72937 -15.3294 -41.8531 -20.6236 -2.72938 -20.6236 10.9309 GPRESSAVG: 4651600 37.8562 -16.5239 -1.29745 -15.6436 -43.079 -20.487 -4.21284 -20.4162 10.5091 TIMING: 4651600 CPU: 14782.8, 0.00315937/step Wall: 14782.8, 0.00315937/step, 0.305757 hours remaining, 238.683594 MB of memory in use. ENERGY: 4651600 3979.0073 20308.7614 14468.1603 250.8118 -202718.4818 2092.9121 0.0000 0.0000 52160.5551 -109458.2738 299.7674 -161618.8288 -109094.8427 299.1069 -290.8508 -262.0761 762113.5757 1.9196 1.7621 PRESSURE: 4651800 18.9867 -56.8406 12.0225 -56.8412 -287.52 -112.88 12.0222 -112.881 359.87 GPRESSURE: 4651800 -46.45 -16.9191 28.9076 116.015 -202.82 -38.1438 59.1345 -105.518 423.594 PRESSAVG: 4651800 39.0953 18.2753 1.56341 18.2752 -10.0681 -18.5551 1.56341 -18.5551 -20.8769 GPRESSAVG: 4651800 37.3722 19.3025 0.0746533 18.8096 -8.29897 -18.2057 2.08846 -20.1258 -20.4146 TIMING: 4651800 CPU: 14783.4, 0.00316807/step Wall: 14783.4, 0.00316807/step, 0.306423 hours remaining, 238.683594 MB of memory in use. ENERGY: 4651800 3988.2267 20580.4896 14456.8653 246.6775 -203238.1640 2506.4009 0.0000 0.0000 52077.8380 -109381.6660 299.2921 -161459.5040 -109021.6400 299.3747 30.4457 58.1079 761289.5086 2.7168 2.8862 PRESSURE: 4652000 -116.747 -1.41065 -145.374 -1.41095 -402.061 -106.365 -145.375 -106.365 44.4998 GPRESSURE: 4652000 -70.9767 -18.147 -138.678 -83.0742 -371.046 -154.389 -67.3768 -112.719 55.2432 PRESSAVG: 4652000 16.0754 -19.2712 -45.0272 -19.2713 -16.6832 23.7028 -45.0273 23.7028 13.369 GPRESSAVG: 4652000 16.1034 -20.503 -45.5845 -18.0453 -16.2362 22.5832 -45.2879 26.4948 12.7989 TIMING: 4652000 CPU: 14784, 0.0031816/step Wall: 14784, 0.0031816/step, 0.307554 hours remaining, 238.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4652000 4012.3119 20464.5432 14407.7240 243.7138 -202974.0276 2657.8709 0.0000 0.0000 51980.4677 -109207.3961 298.7325 -161187.8637 -108833.1446 299.9886 -158.1029 -128.9265 763700.4173 4.2537 4.2220 PRESSURE: 4652200 -244.846 77.5444 -44.5007 77.5445 -288.981 64.5267 -44.5011 64.5273 -258.181 GPRESSURE: 4652200 -197.37 42.2199 43.0447 -5.20525 -229.22 86.4823 42.6653 13.1488 -285.009 PRESSAVG: 4652200 37.9859 -10.0718 -14.9618 -10.0718 -44.923 -0.966259 -14.9618 -0.966343 0.733232 GPRESSAVG: 4652200 38.9672 -9.85878 -12.7619 -11.132 -46.3809 -0.13894 -16.1209 -1.90668 1.10614 TIMING: 4652200 CPU: 14784.7, 0.00315757/step Wall: 14784.7, 0.00315757/step, 0.305056 hours remaining, 238.683594 MB of memory in use. ENERGY: 4652200 4021.6167 20461.5110 14451.2708 260.7367 -203030.9429 2315.9723 0.0000 0.0000 52182.6560 -109337.1793 299.8944 -161519.8353 -108974.7270 299.5382 -264.0025 -237.1996 762924.9502 -2.0679 -2.1025 LDB: ============= START OF LOAD BALANCING ============== 14797.1 LDB: ============== END OF LOAD BALANCING =============== 14797.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14797.1 LDB: ============= START OF LOAD BALANCING ============== 14797.4 LDB: Largest compute 7075 load 0.038352 is 19.6% of average load 0.195978 LDB: Average compute 0.004409 is 2.2% of average load 0.195978 LDB: TIME 14797.4 LOAD: AVG 0.195978 MAX 0.216613 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.672 MB LDB: TIME 14797.4 LOAD: AVG 0.195978 MAX 0.216613 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.879 MB LDB: TIME 14797.4 LOAD: AVG 0.195978 MAX 0.216613 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.879 MB LDB: ============== END OF LOAD BALANCING =============== 14797.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14797.4 PRESSURE: 4652400 78.9275 42.4817 -69.6342 42.4817 -134.624 -95.2513 -69.6346 -95.2514 -348.377 GPRESSURE: 4652400 68.5542 -56.2339 -110.43 57.922 -45.2645 -100.599 -102.221 -66.6726 -337.781 PRESSAVG: 4652400 -0.241974 22.7867 32.7739 22.7868 -7.07372 -19.3926 32.774 -19.3926 9.45759 GPRESSAVG: 4652400 -1.51202 22.8901 31.9286 22.0805 -6.40334 -20.0846 34.5933 -18.9094 9.655 TIMING: 4652400 CPU: 14785.3, 0.00321503/step Wall: 14785.3, 0.00321504/step, 0.31043 hours remaining, 238.355469 MB of memory in use. ENERGY: 4652400 4002.7860 20528.6819 14372.4592 258.0639 -203135.7071 2429.2387 0.0000 0.0000 52203.5780 -109340.8995 300.0147 -161544.4775 -108971.3104 299.4800 -134.6912 -104.8306 763558.8821 0.7140 0.5799 PRESSURE: 4652600 284.35 84.9901 181.542 84.9904 136.494 -89.6014 181.542 -89.6006 174.838 GPRESSURE: 4652600 353.438 64.3369 175.762 63.6886 139.818 -74.8213 33.1464 -169.48 184.629 PRESSAVG: 4652600 -8.33476 -14.3878 -13.2164 -14.3878 -31.2687 50.6336 -13.2165 50.6336 -9.47968 GPRESSAVG: 4652600 -6.21498 -15.4116 -11.9062 -15.9379 -32.1371 51.175 -16.4628 50.0539 -10.6773 TIMING: 4652600 CPU: 14785.9, 0.00316237/step Wall: 14785.9, 0.00316237/step, 0.305168 hours remaining, 238.355469 MB of memory in use. ENERGY: 4652600 3963.3779 20414.9828 14428.7147 258.1871 -203688.8364 2855.4913 0.0000 0.0000 52301.2182 -109466.8643 300.5758 -161768.0825 -109108.6483 299.4473 198.5606 225.9615 760457.6297 -16.3611 -16.3431 PRESSURE: 4652800 -88.1285 -183.134 -117.038 -183.135 33.7384 39.8514 -117.038 39.8527 352.228 GPRESSURE: 4652800 -112.58 -185.797 -126.978 -80.3333 216.38 -17.921 -108.054 80.9447 304.396 PRESSAVG: 4652800 38.5558 -16.8496 26.975 -16.8496 -12.1423 -3.21337 26.975 -3.21329 -5.19683 GPRESSAVG: 4652800 37.617 -17.0814 25.9784 -15.3702 -11.4478 -3.16057 29.2797 -2.2825 -4.33139 TIMING: 4652800 CPU: 14786.6, 0.00316834/step Wall: 14786.6, 0.00316834/step, 0.305568 hours remaining, 238.355469 MB of memory in use. ENERGY: 4652800 3962.2892 20526.3170 14470.6106 251.6116 -203382.1919 2717.2121 0.0000 0.0000 51913.9651 -109540.1863 298.3503 -161454.1514 -109192.3054 299.1180 99.2793 136.0651 761188.6762 7.0722 7.2793 PRESSURE: 4653000 145.412 -13.6331 80.0229 -13.6334 -239.342 -156.886 80.0237 -156.886 -162.255 GPRESSURE: 4653000 146.038 -150.386 55.8206 -5.79321 -218.703 -181.998 36.2648 -89.4067 -101.57 PRESSAVG: 4653000 18.1873 -17.8573 8.23758 -17.8573 -34.5484 -7.53714 8.23761 -7.53708 9.89594 GPRESSAVG: 4653000 17.289 -16.2336 7.6171 -19.3788 -34.605 -9.19002 9.66504 -5.67464 10.7471 TIMING: 4653000 CPU: 14787.2, 0.00315177/step Wall: 14787.2, 0.00315177/step, 0.303796 hours remaining, 238.355469 MB of memory in use. ENERGY: 4653000 4079.9400 20487.0143 14432.1751 220.6372 -203201.7887 2437.2779 0.0000 0.0000 52272.6157 -109272.1285 300.4114 -161544.7441 -108914.9326 299.1950 -85.3949 -58.0783 760313.9221 -2.1551 -2.1896 PRESSURE: 4653200 -220.295 274.801 77.4934 274.8 -269.265 -178.991 77.4938 -178.99 -134.646 GPRESSURE: 4653200 -114.575 258.038 132.971 253.988 -255.038 -137.058 125.384 -135.478 -180.237 PRESSAVG: 4653200 91.0707 -20.2055 -86.3753 -20.2055 -58.0263 -2.16547 -86.3753 -2.16552 -1.36592 GPRESSAVG: 4653200 91.6559 -19.3414 -85.9359 -18.9449 -58.6579 -1.03362 -86.6632 -4.01717 -1.84409 TIMING: 4653200 CPU: 14787.8, 0.00316273/step Wall: 14787.8, 0.00316273/step, 0.304677 hours remaining, 238.355469 MB of memory in use. ENERGY: 4653200 4061.7679 20507.1283 14491.6727 244.5471 -203143.3945 2395.5217 0.0000 0.0000 52336.6357 -109106.1211 300.7794 -161442.7568 -108740.0013 300.1255 -208.0688 -183.2833 762099.4210 10.5595 10.3846 PRESSURE: 4653400 437.897 -98.6155 8.51143 -98.6161 62.1948 -62.8177 8.5124 -62.8181 121.161 GPRESSURE: 4653400 408.414 -91.7922 -36.6811 -196.876 190.314 -137.563 97.3708 -102.776 113.814 PRESSAVG: 4653400 49.9007 -9.48348 12.7361 -9.48347 -60.8328 35.2769 12.7361 35.2769 17.0584 GPRESSAVG: 4653400 49.9889 -9.74337 13.8734 -11.421 -61.2301 34.0695 10.9016 33.3434 17.3476 TIMING: 4653400 CPU: 14788.5, 0.00315447/step Wall: 14788.5, 0.00315447/step, 0.303706 hours remaining, 238.355469 MB of memory in use. ENERGY: 4653400 3953.4386 20530.9753 14473.9707 238.4397 -203279.9416 2595.3891 0.0000 0.0000 52252.2479 -109235.4803 300.2944 -161487.7282 -108868.5654 300.1795 207.0843 237.5141 761011.0449 2.0421 2.0355 PRESSURE: 4653600 -41.3884 -58.1988 121.359 -58.1981 -179.152 84.8649 121.359 84.8651 157.025 GPRESSURE: 4653600 19.167 -82.4966 123.675 -133.014 -83.0704 84.1464 19.7862 123.545 84.2956 PRESSAVG: 4653600 74.115 -15.935 45.3482 -15.9349 -68.5515 -5.54652 45.3482 -5.54649 11.4086 GPRESSAVG: 4653600 74.0714 -18.7346 41.9596 -14.6468 -67.8445 -4.0801 47.4915 -3.1713 10.6169 TIMING: 4653600 CPU: 14789.1, 0.00316018/step Wall: 14789.1, 0.00316018/step, 0.30408 hours remaining, 238.355469 MB of memory in use. ENERGY: 4653600 3954.0131 20508.9516 14475.4721 237.4244 -203380.8343 2641.7859 0.0000 0.0000 52067.1430 -109496.0442 299.2306 -161563.1871 -109130.4392 299.7018 -21.1718 6.7974 762297.5664 5.6574 5.6146 PRESSURE: 4653800 11.0169 -97.4875 -56.345 -97.4863 -230.612 17.7596 -56.3465 17.7591 326.116 GPRESSURE: 4653800 86.3914 -29.6015 -8.82812 -42.3917 -255.522 23.9681 -49.8184 -121.306 384.838 PRESSAVG: 4653800 2.58973 -43.6454 5.39971 -43.6453 -61.5383 22.2279 5.39967 22.2279 -15.4398 GPRESSAVG: 4653800 1.37949 -42.3688 7.05353 -43.6675 -61.6467 23.0392 3.39018 22.2324 -14.2931 TIMING: 4653800 CPU: 14789.7, 0.0031551/step Wall: 14789.7, 0.0031551/step, 0.303416 hours remaining, 238.355469 MB of memory in use. ENERGY: 4653800 3926.9677 20570.2573 14357.3979 229.6801 -203399.3498 2718.1993 0.0000 0.0000 51933.6209 -109663.2265 298.4632 -161596.8474 -109301.8170 298.6839 35.5068 71.9026 761764.5938 -24.7961 -24.8534 PRESSURE: 4654000 450.33 -21.8138 -66.8342 -21.8137 -380.863 237.135 -66.8342 237.134 -321.057 GPRESSURE: 4654000 487.671 -35.8347 -126.687 -14.4426 -327.21 153.886 -106.244 165.283 -336.333 PRESSAVG: 4654000 70.672 -27.9662 20.5057 -27.9663 -48.7355 1.20668 20.5058 1.20673 17.8052 GPRESSAVG: 4654000 71.7993 -25.213 21.4423 -29.2894 -49.346 0.289422 22.6697 1.14469 16.9551 TIMING: 4654000 CPU: 14790.4, 0.00317421/step Wall: 14790.4, 0.00317421/step, 0.305076 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4654000 3985.7881 20432.8124 14469.9461 244.7122 -203329.2825 2291.2258 0.0000 0.0000 52172.4921 -109732.3058 299.8360 -161904.7979 -109364.5639 298.4060 -83.8633 -58.6241 762364.1014 13.2472 13.1361 PRESSURE: 4654200 -61.2006 183.137 1.32287 183.136 40.528 -281.011 1.32351 -281.01 -222.889 GPRESSURE: 4654200 -20.7192 107.229 41.9966 187.705 131.52 -150.09 54.4542 -125.112 -270.193 PRESSAVG: 4654200 52.5468 -33.3186 -10.7982 -33.3187 -15.2238 -36.9184 -10.7983 -36.9184 12.1044 GPRESSAVG: 4654200 52.1691 -36.1174 -9.327 -31.43 -15.4552 -37.8144 -12.2918 -35.8354 12.8794 TIMING: 4654200 CPU: 14791, 0.00315778/step Wall: 14791, 0.00315778/step, 0.303323 hours remaining, 238.355469 MB of memory in use. ENERGY: 4654200 4023.1327 20507.3727 14445.7063 253.8753 -203540.5536 2601.3984 0.0000 0.0000 51894.5936 -109814.4747 298.2389 -161709.0683 -109455.9107 298.7264 -81.1870 -53.1308 761036.5975 16.4758 16.5311 PRESSURE: 4654400 -57.0468 -66.3238 359.008 -66.3247 1.73427 67.1331 359.008 67.1332 150.779 GPRESSURE: 4654400 62.4632 -101.857 232.714 -72.2215 -44.4153 115.403 332.485 -93.2017 155.206 PRESSAVG: 4654400 69.4391 -4.75499 64.0324 -4.75504 -76.0779 -34.9927 64.0324 -34.9926 8.32644 GPRESSAVG: 4654400 70.0384 -5.20393 61.016 -7.1483 -75.766 -33.159 65.0377 -38.0987 7.41643 TIMING: 4654400 CPU: 14791.6, 0.00316629/step Wall: 14791.6, 0.00316629/step, 0.303964 hours remaining, 238.355469 MB of memory in use. ENERGY: 4654400 4000.7803 20445.1213 14447.5795 247.3653 -203250.6445 2503.0985 0.0000 0.0000 51947.0770 -109659.6226 298.5406 -161606.6996 -109290.0790 298.2094 31.8220 57.7515 759839.1296 0.5625 0.5629 PRESSURE: 4654600 -202.923 -155.22 -192.179 -155.22 20.5363 -28.5287 -192.178 -28.5294 251.974 GPRESSURE: 4654600 -163.673 -41.6349 -132.738 -28.0016 44.346 -27.3653 -83.9951 89.8203 274.422 PRESSAVG: 4654600 15.541 -5.57219 -7.21632 -5.57218 -29.7622 30.8208 -7.21637 30.8208 9.66849 GPRESSAVG: 4654600 16.2251 -6.63472 -7.29569 -2.93932 -29.9145 29.7615 -7.9096 30.1972 8.74794 TIMING: 4654600 CPU: 14792.3, 0.00315622/step Wall: 14792.3, 0.00315622/step, 0.302821 hours remaining, 238.355469 MB of memory in use. ENERGY: 4654600 3989.2510 20479.6736 14507.2717 243.8676 -203339.5754 2541.7680 0.0000 0.0000 52098.5827 -109479.1608 299.4113 -161577.7435 -109116.9086 299.1617 23.1959 51.6985 761735.2578 -1.5176 -1.6472 PRESSURE: 4654800 -261.109 -10.4381 -14.2237 -10.4385 -195.159 107.461 -14.2235 107.461 79.3369 GPRESSURE: 4654800 -181.131 -22.926 -75.6598 52.0739 -106.06 136.974 -158.961 24.6601 6.9869 PRESSAVG: 4654800 5.63418 -2.36738 31.6271 -2.36734 -15.8605 1.04039 31.6271 1.04039 3.58536 GPRESSAVG: 4654800 3.64725 -1.75799 31.366 -3.57713 -15.6664 -0.14619 31.8286 3.99675 4.84434 TIMING: 4654800 CPU: 14792.9, 0.00315759/step Wall: 14792.9, 0.00315759/step, 0.302778 hours remaining, 238.355469 MB of memory in use. ENERGY: 4654800 4045.7860 20597.5352 14362.9904 236.9209 -202567.1137 2005.0575 0.0000 0.0000 51758.3691 -109560.4546 297.4561 -161318.8237 -109212.3807 298.6840 -125.6436 -93.4013 761850.3676 -2.2136 -2.3916 PRESSURE: 4655000 -50.7691 -73.2527 69.8701 -73.2529 97.5422 88.2949 69.8689 88.2951 -35.4474 GPRESSURE: 4655000 22.3673 -126.31 -28.9796 -35.6281 101.881 89.8598 235.256 87.3747 -7.46201 PRESSAVG: 4655000 27.9979 -36.9936 18.9508 -36.9937 -20.4144 29.7574 18.9509 29.7574 -8.94564 GPRESSAVG: 4655000 29.0489 -34.8528 20.4873 -36.7058 -21.3949 30.7164 19.7869 27.4476 -9.17808 TIMING: 4655000 CPU: 14793.5, 0.00316634/step Wall: 14793.5, 0.00316634/step, 0.303441 hours remaining, 238.355469 MB of memory in use. ENERGY: 4655000 4032.2933 20469.0022 14402.0288 248.1726 -203554.6390 2648.9964 0.0000 0.0000 52439.4740 -109314.6718 301.3704 -161754.1457 -108955.0542 299.7417 3.7752 38.9289 760688.7143 -0.4540 -0.5080 PRESSURE: 4655200 341.214 -81.44 102.401 -81.4407 477.482 -359.283 102.4 -359.283 268.517 GPRESSURE: 4655200 363.098 20.2666 167.13 -41.5351 516.69 -372.381 108.665 -278.276 287.797 PRESSAVG: 4655200 44.5693 -34.5986 20.2494 -34.5986 -24.5978 -8.88406 20.2493 -8.884 6.60955 GPRESSAVG: 4655200 44.2346 -35.0023 20.5095 -35.0774 -24.612 -7.98854 17.8022 -6.86187 6.96214 TIMING: 4655200 CPU: 14794.2, 0.0031604/step Wall: 14794.2, 0.0031604/step, 0.302696 hours remaining, 238.355469 MB of memory in use. ENERGY: 4655200 3947.8543 20465.1012 14408.8457 248.8129 -203215.6843 2456.5219 0.0000 0.0000 52251.4812 -109437.0671 300.2900 -161688.5483 -109073.5087 299.5078 362.4043 389.1948 759893.2144 8.8604 8.8616 PRESSURE: 4655400 -407.066 -230.692 88.9709 -230.692 -282.551 -83.579 88.9715 -83.5788 -302.001 GPRESSURE: 4655400 -360.096 -178.872 111.486 -188.17 -231.407 -39.9324 -6.05224 -113.351 -320.115 PRESSAVG: 4655400 20.9772 -14.6266 7.09514 -14.6266 -29.5926 -28.2339 7.09512 -28.2341 -12.721 GPRESSAVG: 4655400 20.9437 -16.4083 6.52745 -13.9846 -29.1018 -27.7568 6.8042 -29.7478 -13.2574 TIMING: 4655400 CPU: 14794.8, 0.0031695/step Wall: 14794.8, 0.0031695/step, 0.303392 hours remaining, 238.355469 MB of memory in use. ENERGY: 4655400 4005.5658 20461.6431 14408.7533 266.7325 -203171.1857 2469.8108 0.0000 0.0000 52332.9566 -109225.7235 300.7582 -161558.6802 -108855.6902 299.6571 -330.5391 -303.8729 761952.1700 -7.1121 -7.1385 PRESSURE: 4655600 195.515 150.534 15.973 150.534 -77.034 -238.567 15.9725 -238.566 76.901 GPRESSURE: 4655600 168.198 102.582 2.32484 178.354 -50.1002 -282.472 79.4459 -51.712 171.479 PRESSAVG: 4655600 51.3489 -56.8291 -46.8258 -56.8292 -49.3844 74.7768 -46.8259 74.7768 -11.1023 GPRESSAVG: 4655600 51.6365 -55.7732 -44.8524 -57.6672 -49.393 74.0791 -46.9864 74.1196 -10.9165 TIMING: 4655600 CPU: 14795.4, 0.0031653/step Wall: 14795.4, 0.0031653/step, 0.302813 hours remaining, 238.355469 MB of memory in use. ENERGY: 4655600 3988.4091 20717.3252 14368.9994 242.7307 -202926.7617 2562.4339 0.0000 0.0000 52076.5353 -108970.3280 299.2846 -161046.8634 -108614.2105 300.2930 65.1274 96.5254 763513.1646 -3.0460 -2.8910 PRESSURE: 4655800 -94.0288 48.7468 280.234 48.7476 -125.756 -82.4619 280.234 -82.4615 -8.17717 GPRESSURE: 4655800 -103.234 -34.1523 282.749 -37.0881 -87.7337 -82.5668 319.193 -136.497 40.7986 PRESSAVG: 4655800 14.9926 31.0135 -28.124 31.0135 -20.713 8.21874 -28.124 8.21876 -1.5191 GPRESSAVG: 4655800 15.4201 29.7029 -29.9607 32.6096 -20.8977 7.05005 -26.0756 9.77577 -1.26579 TIMING: 4655800 CPU: 14796.1, 0.00316948/step Wall: 14796.1, 0.00316948/step, 0.303038 hours remaining, 238.355469 MB of memory in use. ENERGY: 4655800 4050.2041 20610.3549 14434.9986 245.4932 -203834.5867 2990.0687 0.0000 0.0000 52125.7262 -109377.7409 299.5673 -161503.4671 -109024.2661 299.9951 -75.9873 -50.0562 762285.1425 -2.4132 -2.2478 PRESSURE: 4656000 -178.052 -140.992 164.598 -140.993 -447.768 16.8461 164.597 16.8455 219.15 GPRESSURE: 4656000 -130.343 8.42532 86.953 -55.6705 -484.998 -42.6436 118.312 17.3083 285.752 PRESSAVG: 4656000 14.2155 -22.6486 -19.1111 -22.6487 -3.21169 -62.6671 -19.1109 -62.6671 -7.42625 GPRESSAVG: 4656000 14.4197 -18.2267 -19.1729 -25.2234 -3.7041 -61.9758 -19.2418 -64.4311 -6.76926 TIMING: 4656000 CPU: 14796.7, 0.00316819/step Wall: 14796.7, 0.00316819/step, 0.302738 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4656000 3902.4116 20521.0444 14421.4323 216.7138 -202926.8642 2236.5526 0.0000 0.0000 52218.2406 -109410.4689 300.0989 -161628.7095 -109046.9282 299.2534 -135.5566 -109.8630 760862.3845 1.1925 1.3154 PRESSURE: 4656200 -161.459 -24.9848 105.695 -24.986 -144.185 8.02026 105.695 8.02091 -39.9399 GPRESSURE: 4656200 -44.9674 -126.886 124.527 -161.708 -175.064 -26.6545 -85.9558 49.6983 -51.4558 PRESSAVG: 4656200 4.90279 -12.2024 -12.8773 -12.2024 14.6112 22.5086 -12.8772 22.5085 -1.69014 GPRESSAVG: 4656200 4.22452 -16.1235 -12.9362 -11.6704 16.0835 22.2224 -13.4469 23.5035 -2.22034 TIMING: 4656200 CPU: 14797.3, 0.0031662/step Wall: 14797.3, 0.0031662/step, 0.302372 hours remaining, 238.355469 MB of memory in use. ENERGY: 4656200 3946.3712 20447.7917 14406.9213 235.1457 -203246.2561 2707.5213 0.0000 0.0000 52167.7045 -109334.8004 299.8085 -161502.5048 -108972.7943 299.7872 -115.1947 -90.4958 760515.3785 5.9413 6.0292 LDB: ============= START OF LOAD BALANCING ============== 14809.7 LDB: ============== END OF LOAD BALANCING =============== 14809.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14809.7 LDB: ============= START OF LOAD BALANCING ============== 14810.1 LDB: Largest compute 7075 load 0.038996 is 19.9% of average load 0.195890 LDB: Average compute 0.004413 is 2.3% of average load 0.195890 LDB: TIME 14810.1 LOAD: AVG 0.19589 MAX 0.21788 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 14810.1 LOAD: AVG 0.19589 MAX 0.21788 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 14810.1 LOAD: AVG 0.19589 MAX 0.21788 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 14810.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14810.1 PRESSURE: 4656400 -84.695 99.7582 32.5791 99.7583 181.751 10.309 32.5794 10.309 124.007 GPRESSURE: 4656400 9.24381 173.477 -27.1029 -42.1397 179.107 14.4348 -13.7404 -31.5269 95.6202 PRESSAVG: 4656400 23.3278 -38.7305 -6.75037 -38.7305 28.8392 -69.2471 -6.75035 -69.247 11.6384 GPRESSAVG: 4656400 23.4303 -37.7599 -5.54542 -38.4542 28.5937 -68.4426 -8.18272 -70.2241 12.0606 TIMING: 4656400 CPU: 14798, 0.00325162/step Wall: 14798, 0.00325162/step, 0.310349 hours remaining, 239.382812 MB of memory in use. ENERGY: 4656400 3864.6072 20511.2234 14373.0481 251.8200 -203081.6544 2451.1233 0.0000 0.0000 52173.4087 -109456.4237 299.8413 -161629.8325 -109088.4602 299.5953 73.6875 94.6571 760939.0526 21.2685 21.3615 PRESSURE: 4656600 252.643 46.8044 -119.863 46.8042 -62.6592 -67.7166 -119.862 -67.7157 380.925 GPRESSURE: 4656600 303.478 89.1514 -115.781 155.778 -52.2012 -154.419 -37.7311 -18.7841 402.402 PRESSAVG: 4656600 39.3958 -0.609069 -32.9559 -0.609082 -25.5025 -25.8587 -32.9559 -25.8587 -12.9401 GPRESSAVG: 4656600 39.4822 -1.05657 -34.8447 1.63277 -25.6345 -26.6819 -32.5383 -24.5654 -13.513 TIMING: 4656600 CPU: 14798.6, 0.00315084/step Wall: 14798.6, 0.00315084/step, 0.300555 hours remaining, 239.382812 MB of memory in use. ENERGY: 4656600 4009.3397 20589.1648 14421.6607 245.7852 -203323.1722 2764.7994 0.0000 0.0000 51906.1595 -109386.2629 298.3054 -161292.4224 -109030.2793 299.1172 190.3027 217.8928 763394.9229 0.3177 0.1115 PRESSURE: 4656800 -87.8798 -74.477 253.086 -74.4769 -210.016 -62.6098 253.085 -62.6097 -284.895 GPRESSURE: 4656800 -57.0731 -51.2265 244.023 33.5366 -210.863 43.8716 244.329 -49.0991 -223.444 PRESSAVG: 4656800 26.8126 25.1307 9.09248 25.1306 -40.4805 46.6316 9.09243 46.6316 2.60821 GPRESSAVG: 4656800 27.6473 25.6659 9.4248 24.86 -41.5546 47.3708 11.9051 46.7995 2.53173 TIMING: 4656800 CPU: 14799.2, 0.00314897/step Wall: 14799.2, 0.00314897/step, 0.300202 hours remaining, 239.382812 MB of memory in use. ENERGY: 4656800 3928.5842 20373.5516 14400.2630 251.6220 -202990.1390 2602.3062 0.0000 0.0000 51923.8933 -109509.9187 298.4073 -161433.8120 -109147.3801 299.4350 -194.2634 -163.7934 763510.0505 -3.6865 -3.7918 PRESSURE: 4657000 277.605 -5.75127 138.131 -5.75128 268.744 1.53458 138.13 1.53532 210.534 GPRESSURE: 4657000 333.945 0.331477 158.179 29.3644 250.373 -49.7891 9.04532 80.517 270.347 PRESSAVG: 4657000 39.2442 13.1846 70.0293 13.1846 -38.5957 14.8428 70.0293 14.8428 6.69559 GPRESSAVG: 4657000 38.5656 12.3794 69.299 11.7091 -38.4587 14.7144 68.3879 13.9464 6.62712 TIMING: 4657000 CPU: 14799.9, 0.00318224/step Wall: 14799.9, 0.00318224/step, 0.303197 hours remaining, 239.382812 MB of memory in use. ENERGY: 4657000 4003.1783 20417.3257 14401.4166 255.6712 -203473.2255 2778.2691 0.0000 0.0000 52054.6096 -109562.7552 299.1586 -161617.3647 -109204.3429 298.9360 252.2943 284.8882 761325.3373 2.4481 2.2447 PRESSURE: 4657200 159.625 83.2748 -136.808 83.2742 63.6817 -60.1427 -136.808 -60.1427 -275.303 GPRESSURE: 4657200 209.374 26.3818 -136.027 94.424 128.464 -63.813 18.9242 -37.7276 -297.849 PRESSAVG: 4657200 9.82651 -7.61172 -34.7422 -7.61174 -24.2239 53.7901 -34.7422 53.7901 -17.1482 GPRESSAVG: 4657200 10.4319 -7.12976 -32.8606 -6.84191 -24.4064 53.5313 -33.9833 53.4332 -17.6478 TIMING: 4657200 CPU: 14800.5, 0.00317912/step Wall: 14800.5, 0.00317912/step, 0.302723 hours remaining, 239.382812 MB of memory in use. ENERGY: 4657200 3987.3035 20234.1340 14568.4412 238.0941 -202946.3087 2312.0582 0.0000 0.0000 52342.5216 -109263.7560 300.8132 -161606.2776 -108893.0774 299.1133 -17.3323 13.3299 761121.0248 -10.5152 -10.5408 PRESSURE: 4657400 -95.2555 186.541 107.825 186.54 -307.946 27.8411 107.825 27.8414 -203.512 GPRESSURE: 4657400 -75.071 163.201 105.796 87.9636 -285.944 31.6786 140.16 -64.5263 -151.653 PRESSAVG: 4657400 -5.15207 -49.1833 28.117 -49.1832 -5.47172 34.4713 28.117 34.4712 10.0943 GPRESSAVG: 4657400 -5.45929 -48.2841 26.8303 -50.7764 -5.20584 33.917 29.7832 33.2524 10.2862 TIMING: 4657400 CPU: 14801.2, 0.00318111/step Wall: 14801.2, 0.00318111/step, 0.302735 hours remaining, 239.382812 MB of memory in use. ENERGY: 4657400 3943.5297 20582.4861 14491.2091 261.9612 -202872.6601 2207.4330 0.0000 0.0000 52162.4439 -109223.5972 299.7783 -161386.0410 -108870.0086 299.7103 -202.2377 -170.8894 762481.1516 -0.1765 -0.1263 PRESSURE: 4657600 -596.764 -104.64 184.485 -104.64 -280.577 -185.589 184.486 -185.589 -201.665 GPRESSURE: 4657600 -603.199 83.1015 202.389 -144.127 -189.988 -289.171 196.171 -197.223 -202.107 PRESSAVG: 4657600 3.48179 -66.1957 -10.2692 -66.1957 -22.1408 22.0017 -10.2692 22.0016 -8.43451 GPRESSAVG: 4657600 3.43195 -67.1909 -10.6325 -64.392 -21.8333 21.0632 -11.2904 24.6708 -9.21304 TIMING: 4657600 CPU: 14801.8, 0.00317036/step Wall: 14801.8, 0.00317036/step, 0.301537 hours remaining, 239.382812 MB of memory in use. ENERGY: 4657600 4010.3041 20344.1151 14436.2826 231.7865 -202621.5639 2082.3068 0.0000 0.0000 52007.2530 -109509.5158 298.8864 -161516.7688 -109138.0850 299.4021 -359.6686 -331.7644 762236.8980 -9.0312 -9.2048 PRESSURE: 4657800 224.033 -243.07 92.0385 -243.071 106.96 -44.515 92.0386 -44.5148 189.906 GPRESSURE: 4657800 217.898 -192.679 37.2532 -233.969 145.031 -51.9635 130.883 25.6356 239.122 PRESSAVG: 4657800 16.8298 -38.7754 33.7797 -38.7754 24.114 -3.17586 33.7797 -3.17598 12.6416 GPRESSAVG: 4657800 16.758 -37.5276 35.1024 -39.7538 23.506 -2.84451 30.5408 -2.34839 13.8664 TIMING: 4657800 CPU: 14802.4, 0.00318231/step Wall: 14802.4, 0.00318231/step, 0.302497 hours remaining, 239.382812 MB of memory in use. ENERGY: 4657800 3912.4484 20498.0977 14410.5120 251.1233 -203311.1446 2601.2417 0.0000 0.0000 52123.4134 -109514.3081 299.5540 -161637.7215 -109159.2626 298.9227 173.6329 200.6841 760148.1682 17.8618 18.0435 PRESSURE: 4658000 453.804 150.383 -143.72 150.383 -196.436 0.948955 -143.72 0.949265 168.488 GPRESSURE: 4658000 465.941 2.0476 -153.468 250.341 -94.6826 75.9497 -85.0535 111.696 137.225 PRESSAVG: 4658000 27.0493 -25.7331 -8.1736 -25.7331 -61.5943 -20.9717 -8.17355 -20.9716 18.1338 GPRESSAVG: 4658000 27.3 -27.2069 -7.02532 -26.1353 -59.868 -20.1376 -7.53525 -22.9637 15.6352 TIMING: 4658000 CPU: 14803.1, 0.00317762/step Wall: 14803.1, 0.00317762/step, 0.301874 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4658000 3976.9218 20533.3948 14444.6671 253.4916 -203611.9472 2807.0990 0.0000 0.0000 51792.4789 -109803.8940 297.6521 -161596.3729 -109433.5616 298.6998 141.9521 169.4943 760508.2215 -5.4704 -5.6442 PRESSURE: 4658200 70.615 45.1577 47.1429 45.1586 -341.546 191.95 47.1427 191.95 -387.662 GPRESSURE: 4658200 -33.7189 48.5981 -8.56428 93.4975 -218.666 127.725 1.54977 245.368 -362.769 PRESSAVG: 4658200 6.44089 -18.0024 -34.6412 -18.0024 17.8504 1.93792 -34.6411 1.93795 2.06679 GPRESSAVG: 4658200 6.50039 -18.0608 -34.2357 -17.7907 16.307 2.40584 -35.416 1.75028 3.19244 TIMING: 4658200 CPU: 14803.7, 0.00316871/step Wall: 14803.7, 0.00316871/step, 0.300852 hours remaining, 239.382812 MB of memory in use. ENERGY: 4658200 4073.8656 20480.3025 14387.9243 249.0430 -203301.0970 2432.5929 0.0000 0.0000 51827.5711 -109849.7977 297.8538 -161677.3688 -109499.3741 298.4233 -219.5310 -205.0512 761037.4949 8.7860 8.6666 PRESSURE: 4658400 -290.287 -115.266 88.7591 -115.267 109.54 -323.761 88.7588 -323.761 -42.0133 GPRESSURE: 4658400 -221.292 -198.965 122.892 -104.967 41.3948 -233.81 -47.0579 -330.676 36.5277 PRESSAVG: 4658400 20.5582 30.3986 26.0254 30.3986 -34.8818 -36.1036 26.0254 -36.1036 -31.6529 GPRESSAVG: 4658400 19.0577 29.1752 24.5395 31.2325 -34.3525 -37.0597 26.0417 -35.3598 -30.5289 TIMING: 4658400 CPU: 14804.3, 0.00316878/step Wall: 14804.3, 0.00316878/step, 0.300682 hours remaining, 239.382812 MB of memory in use. ENERGY: 4658400 3957.2552 20512.1787 14441.9517 236.2424 -203094.8378 2230.9344 0.0000 0.0000 51705.1427 -110011.1326 297.1502 -161716.2754 -109654.4573 298.1139 -74.2535 -47.7898 759553.4558 -15.3255 -15.2746 PRESSURE: 4658600 155.946 44.5519 -0.721681 44.5515 -289.658 -222.542 -0.721523 -222.542 -142.185 GPRESSURE: 4658600 169.546 31.8719 106.067 -30.1466 -250.089 -205.995 -70.3838 -188.573 -117.472 PRESSAVG: 4658600 -27.56 68.6446 -6.10287 68.6446 54.2121 -0.77999 -6.10289 -0.77983 -8.11559 GPRESSAVG: 4658600 -25.8222 68.4445 -5.20494 68.3245 53.3352 -0.934952 -5.1337 -0.65336 -9.50493 TIMING: 4658600 CPU: 14805, 0.00319913/step Wall: 14805, 0.00319913/step, 0.303384 hours remaining, 239.382812 MB of memory in use. ENERGY: 4658600 4033.1179 20330.0976 14395.5479 273.4916 -203512.3543 2590.8772 0.0000 0.0000 52014.3046 -109874.9176 298.9269 -161889.2222 -109513.1213 298.3827 -91.9660 -66.0049 761514.0698 6.1788 6.0027 PRESSURE: 4658800 199.066 119.428 -35.13 119.427 65.8163 154.873 -35.1303 154.874 249.331 GPRESSURE: 4658800 281.246 126.756 -82.2454 211.553 74.105 175.515 7.38961 28.9881 242.608 PRESSAVG: 4658800 -19.4351 58.1014 12.5582 58.1015 22.9413 -23.3539 12.5582 -23.3538 15.2605 GPRESSAVG: 4658800 -20.9603 61.5734 12.3533 58.8063 23.505 -24.1904 12.286 -21.9216 16.3513 TIMING: 4658800 CPU: 14805.6, 0.00319638/step Wall: 14805.6, 0.00319638/step, 0.302945 hours remaining, 239.382812 MB of memory in use. ENERGY: 4658800 3898.4237 20432.8899 14452.0520 252.4774 -203621.9814 2869.3747 0.0000 0.0000 51964.5255 -109752.2382 298.6408 -161716.7637 -109396.8504 298.9387 171.4044 199.3196 763379.7475 6.2556 6.2987 PRESSURE: 4659000 -508.99 -8.07232 -193.4 -8.07204 36.1786 67.0181 -193.401 67.0187 2.02951 GPRESSURE: 4659000 -407.495 -78.7935 -243.594 -22.7959 82.6642 105.149 -235.78 71.7157 -36.2641 PRESSAVG: 4659000 -10.8708 22.6226 -63.999 22.6226 34.1059 -39.9055 -63.9991 -39.9055 -7.71478 GPRESSAVG: 4659000 -9.73824 21.7826 -64.0195 22.0638 32.9855 -40.6241 -63.4754 -42.002 -7.90613 TIMING: 4659000 CPU: 14806.2, 0.00316814/step Wall: 14806.2, 0.00316814/step, 0.300094 hours remaining, 239.382812 MB of memory in use. ENERGY: 4659000 3992.7192 20403.3434 14432.1992 244.1990 -203257.4900 2475.1566 0.0000 0.0000 52015.2233 -109694.6493 298.9322 -161709.8727 -109328.7598 298.9199 -156.9272 -120.3650 761847.5714 5.1735 5.1137 PRESSURE: 4659200 -240.282 -182.722 128.368 -182.721 -422.951 -268.388 128.369 -268.388 -549.291 GPRESSURE: 4659200 -198.664 -211.667 116.679 -170.179 -293.032 -284.695 11.2639 -128.1 -649.059 PRESSAVG: 4659200 -39.5441 -34.736 -2.69078 -34.7361 11.8512 -70.1489 -2.69079 -70.1489 25.1438 GPRESSAVG: 4659200 -40.0983 -34.7615 -2.48111 -34.4856 13.5498 -67.5557 -3.0048 -68.816 24.1099 TIMING: 4659200 CPU: 14806.9, 0.00316969/step Wall: 14806.9, 0.00316969/step, 0.300064 hours remaining, 239.382812 MB of memory in use. ENERGY: 4659200 4030.8770 20551.2593 14389.0330 233.0166 -203174.0693 2355.1732 0.0000 0.0000 51840.3419 -109774.3684 297.9272 -161614.7103 -109407.0098 298.7772 -404.1750 -380.2519 761744.8778 -0.8497 -0.8129 PRESSURE: 4659400 -130.581 109.166 188.914 109.166 -230.779 195.844 188.913 195.844 -47.1034 GPRESSURE: 4659400 -62.5977 106.641 170.12 94.7132 -281.714 125.302 177.104 111.048 23.2247 PRESSAVG: 4659400 30.8439 34.092 9.42505 34.0921 -7.4181 -14.7865 9.4251 -14.7866 18.8421 GPRESSAVG: 4659400 32.2718 34.4087 9.29778 32.4372 -8.38203 -16.7625 7.21926 -13.9238 18.9717 TIMING: 4659400 CPU: 14807.5, 0.00317356/step Wall: 14807.5, 0.00317356/step, 0.300254 hours remaining, 239.382812 MB of memory in use. ENERGY: 4659400 4002.9641 20416.7731 14412.2485 250.7101 -203479.3761 2328.9552 0.0000 0.0000 52160.4245 -109907.3005 299.7667 -162067.7250 -109541.8972 298.5337 -136.1544 -107.0289 760995.2214 14.0893 14.2872 PRESSURE: 4659600 -183.6 83.6159 -284.518 83.6168 -151.681 119.193 -284.519 119.193 -580.011 GPRESSURE: 4659600 -112.23 156.184 -246.534 -2.96773 -93.6926 102.22 -300.337 -16.9333 -640.507 PRESSAVG: 4659600 -40.0803 -2.04511 3.89977 -2.04509 4.65834 28.7599 3.89984 28.7599 8.27465 GPRESSAVG: 4659600 -40.7698 -0.922042 3.79327 -0.600046 6.61918 29.5753 5.83986 27.5589 6.91917 TIMING: 4659600 CPU: 14808.1, 0.00318675/step Wall: 14808.1, 0.00318675/step, 0.301325 hours remaining, 239.382812 MB of memory in use. ENERGY: 4659600 3970.0178 20414.0770 14556.1008 248.3292 -203497.7244 2335.0358 0.0000 0.0000 52123.2810 -109850.8828 299.5532 -161974.1638 -109493.3923 298.8833 -305.0972 -282.1433 761632.0716 -9.0491 -9.0772 PRESSURE: 4659800 128.517 -359.25 240.415 -359.25 -180.736 -79.2834 240.416 -79.2843 724.31 GPRESSURE: 4659800 168.759 -291.181 251.211 -221.528 -157.455 -99.5559 102.61 -61.3091 722.164 PRESSAVG: 4659800 29.2812 -41.9567 27.0995 -41.9567 -16.5413 -74.1744 27.0995 -74.1743 28.7537 GPRESSAVG: 4659800 29.379 -43.8057 26.5987 -41.6019 -17.7686 -73.7498 27.862 -73.7168 29.6091 TIMING: 4659800 CPU: 14808.8, 0.00316531/step Wall: 14808.8, 0.00316531/step, 0.299121 hours remaining, 239.382812 MB of memory in use. ENERGY: 4659800 3950.3050 20537.4984 14517.3253 247.2621 -203461.5689 2754.9101 0.0000 0.0000 51930.4388 -109523.8292 298.4449 -161454.2679 -109155.7611 299.1374 224.0302 244.4892 763213.9100 13.8312 13.7399 PRESSURE: 4660000 42.9441 62.1074 18.0278 62.1083 164.333 7.67121 18.0281 7.67153 -54.0803 GPRESSURE: 4660000 97.1068 28.1404 96.512 58.8259 154.837 -28.3599 -44.2289 50.7223 -11.2699 PRESSAVG: 4660000 24.2704 -3.83413 27.147 -3.83416 -74.3124 -15.1471 27.147 -15.1472 0.987678 GPRESSAVG: 4660000 23.9298 -2.45423 28.103 -4.4768 -73.978 -16.5671 25.4345 -13.8911 1.10653 TIMING: 4660000 CPU: 14809.4, 0.00318614/step Wall: 14809.4, 0.00318614/step, 0.300913 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4660000 3956.0023 20467.0372 14398.9761 267.6964 -203738.2770 2808.2430 0.0000 0.0000 52254.2588 -109586.0631 300.3059 -161840.3219 -109225.3222 299.0070 51.0657 80.2246 760537.3190 -16.3514 -16.3139 PRESSURE: 4660200 -154.183 186.115 7.61321 186.115 -105.019 109.12 7.61288 109.121 -288.444 GPRESSURE: 4660200 -108.201 140.572 24.2124 186.489 -136.147 69.5695 143.412 133.74 -222.837 PRESSAVG: 4660200 -51.9483 -9.60022 -5.27785 -9.60031 52.4934 -37.3107 -5.27789 -37.3107 9.64426 GPRESSAVG: 4660200 -52.1152 -10.4555 -4.74897 -9.05884 52.2241 -34.3757 -5.88251 -39.2969 9.53597 TIMING: 4660200 CPU: 14810, 0.00317035/step Wall: 14810, 0.00317035/step, 0.299246 hours remaining, 239.382812 MB of memory in use. ENERGY: 4660200 3955.1240 20656.7735 14463.4467 249.8468 -203128.9393 2328.9727 0.0000 0.0000 51841.3828 -109633.3927 297.9331 -161474.7755 -109280.2266 299.1900 -182.5488 -155.7282 762213.4955 3.3964 3.2150 LDB: ============= START OF LOAD BALANCING ============== 14822.4 LDB: ============== END OF LOAD BALANCING =============== 14822.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14822.4 LDB: ============= START OF LOAD BALANCING ============== 14822.8 LDB: Largest compute 7075 load 0.038068 is 19.4% of average load 0.195961 LDB: Average compute 0.004399 is 2.2% of average load 0.195961 LDB: TIME 14822.8 LOAD: AVG 0.195961 MAX 0.219102 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.324 MB LDB: TIME 14822.8 LOAD: AVG 0.195961 MAX 0.219102 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: TIME 14822.8 LOAD: AVG 0.195961 MAX 0.21693 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: ============== END OF LOAD BALANCING =============== 14822.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14822.8 PRESSURE: 4660400 285.702 -267.67 42.6791 -267.67 32.5041 -214.579 42.6788 -214.579 167.898 GPRESSURE: 4660400 264.606 -263.629 25.9559 -128.875 111.041 -236.086 65.6906 -309.404 187.162 PRESSAVG: 4660400 -35.1055 -15.2135 36.5781 -15.2136 -8.34345 -23.1841 36.5781 -23.1841 24.2147 GPRESSAVG: 4660400 -34.6377 -15.8187 36.2968 -14.0775 -9.08288 -23.9334 38.1774 -24.2289 24.7935 TIMING: 4660400 CPU: 14810.7, 0.00322181/step Wall: 14810.7, 0.00322181/step, 0.303924 hours remaining, 237.128906 MB of memory in use. ENERGY: 4660400 3956.4960 20537.0369 14468.6813 249.9456 -203395.9306 2657.9879 0.0000 0.0000 51767.8023 -109757.9806 297.5103 -161525.7828 -109396.4025 299.1625 162.0348 187.6031 761712.4615 -6.4114 -6.3090 PRESSURE: 4660600 294.917 48.2748 190.155 48.275 159.871 -73.1491 190.155 -73.1482 105.888 GPRESSURE: 4660600 289.894 4.20389 178.483 45.3395 183.133 -75.8743 114.61 62.2781 179.714 PRESSAVG: 4660600 56.2266 -3.93889 -11.625 -3.93889 0.0115088 -36.3509 -11.625 -36.351 13.0908 GPRESSAVG: 4660600 56.434 -4.74566 -12.6823 -5.64306 0.168853 -37.0704 -10.6936 -33.0055 12.6787 TIMING: 4660600 CPU: 14811.3, 0.0031502/step Wall: 14811.3, 0.0031502/step, 0.296993 hours remaining, 237.128906 MB of memory in use. ENERGY: 4660600 4025.3605 20313.2064 14440.8401 255.1142 -203500.5771 2761.0296 0.0000 0.0000 52238.5722 -109466.4540 300.2158 -161705.0262 -109104.1178 298.9772 186.8917 217.5801 759234.1626 23.1096 23.0939 PRESSURE: 4660800 116.132 141.532 -78.7599 141.531 -131.005 303.143 -78.7603 303.143 -285.666 GPRESSURE: 4660800 113.647 104.126 -76.0661 75.2832 -45.9443 360.732 62.1521 259.183 -291.851 PRESSAVG: 4660800 -29.3374 -11.0401 4.68095 -11.0401 21.8336 32.3145 4.68089 32.3146 -4.84643 GPRESSAVG: 4660800 -29.9095 -9.36583 5.95337 -12.2316 22.4766 32.3879 5.93402 30.4391 -5.01685 TIMING: 4660800 CPU: 14812, 0.0031872/step Wall: 14812, 0.0031872/step, 0.300305 hours remaining, 237.128906 MB of memory in use. ENERGY: 4660800 3975.5989 20406.0288 14371.6703 234.1475 -203655.8040 2927.1461 0.0000 0.0000 52255.5947 -109485.6177 300.3136 -161741.2124 -109114.7318 299.4527 -100.1797 -74.7162 762527.8562 -4.1167 -4.1499 PRESSURE: 4661000 421.161 -4.05231 -77.6778 -4.05274 435.362 76.698 -77.6767 76.6993 164.366 GPRESSURE: 4661000 532.061 -69.3401 -147.163 15.3378 394.528 88.9492 -2.69438 88.4984 186.036 PRESSAVG: 4661000 10.663 20.9898 -14.7841 20.9898 -58.4194 15.7826 -14.7841 15.7826 -3.3462 GPRESSAVG: 4661000 10.8219 18.587 -14.9286 24.5217 -58.6454 17.7526 -16.1811 13.5645 -2.37913 TIMING: 4661000 CPU: 14812.6, 0.00321693/step Wall: 14812.6, 0.00321693/step, 0.302927 hours remaining, 237.128906 MB of memory in use. ENERGY: 4661000 3878.3413 20362.7238 14463.3428 265.0651 -203085.6322 2638.3487 0.0000 0.0000 51842.5409 -109635.2695 297.9398 -161477.8104 -109269.6038 298.7085 340.2963 370.8749 761720.3830 -17.0342 -16.7342 PRESSURE: 4661200 -625.863 -174.303 143.045 -174.303 -29.9889 -107.511 143.045 -107.511 -221.387 GPRESSURE: 4661200 -536.081 -42.5263 120.407 -257.976 -11.4334 -155.924 119.437 -170.24 -221.122 PRESSAVG: 4661200 -53.3285 -43.8133 -29.7196 -43.8134 48.3816 39.1532 -29.7196 39.1533 -0.729192 GPRESSAVG: 4661200 -52.6856 -42.4164 -30.9671 -44.6008 48.9316 37.312 -30.0502 41.9311 -1.9841 TIMING: 4661200 CPU: 14813.2, 0.00317463/step Wall: 14813.2, 0.00317463/step, 0.298768 hours remaining, 237.128906 MB of memory in use. ENERGY: 4661200 4020.7499 20497.8822 14445.2743 241.8375 -203120.8531 2256.1008 0.0000 0.0000 51893.8533 -109765.1552 298.2347 -161659.0084 -109405.5374 298.4304 -292.4130 -256.2120 760950.7614 -1.8920 -1.9127 PRESSURE: 4661400 81.4258 -140.859 461.624 -140.859 267.209 70.5485 461.624 70.5472 -157.954 GPRESSURE: 4661400 159.877 -163.33 487.065 -208.659 341.826 33.4583 368.104 99.4038 -224.631 PRESSAVG: 4661400 -46.1057 -3.36143 25.3453 -3.36141 1.28774 65.4743 25.3453 65.4743 15.2157 GPRESSAVG: 4661400 -46.1698 -3.46136 26.4421 -3.30301 1.07622 64.4123 24.7429 65.7758 15.3636 TIMING: 4661400 CPU: 14813.9, 0.00318951/step Wall: 14813.9, 0.00318951/step, 0.299991 hours remaining, 237.128906 MB of memory in use. ENERGY: 4661400 3972.8477 20464.4330 14497.6891 246.9952 -203543.5542 2675.8246 0.0000 0.0000 51963.1683 -109722.5964 298.6330 -161685.7647 -109358.4947 298.7408 63.5605 92.3575 760983.4715 -9.8674 -9.9100 PRESSURE: 4661600 -148.648 80.5878 -10.5911 80.5872 389.081 -60.2473 -10.5901 -60.2476 7.23306 GPRESSURE: 4661600 -98.0734 59.6667 15.3071 62.8391 418.939 -64.8201 -72.2296 -89.2881 27.4904 PRESSAVG: 4661600 -20.9132 -13.1382 -0.329865 -13.1381 35.9331 -55.1236 -0.329822 -55.1236 -4.74535 GPRESSAVG: 4661600 -21.647 -11.7807 -0.301006 -15.9636 35.1051 -54.844 0.143872 -54.9111 -3.98518 TIMING: 4661600 CPU: 14814.5, 0.00316039/step Wall: 14814.5, 0.00316039/step, 0.297077 hours remaining, 237.128906 MB of memory in use. ENERGY: 4661600 3986.4143 20381.4761 14518.7801 253.4787 -203438.0674 2802.5914 0.0000 0.0000 51947.1018 -109548.2251 298.5407 -161495.3269 -109192.2445 298.3958 82.5554 116.1185 761562.3914 3.4249 3.1576 PRESSURE: 4661800 207.709 91.7802 -61.6602 91.781 95.7268 127.11 -61.6592 127.111 -53.5504 GPRESSURE: 4661800 243.333 13.7522 -51.1308 57.0825 70.2071 178.986 131.978 88.414 24.3167 PRESSAVG: 4661800 6.31751 26.0459 -55.9344 26.0459 4.47035 6.33095 -55.9344 6.33102 6.30934 GPRESSAVG: 4661800 7.00827 25.5397 -55.5388 27.2544 4.861 6.90946 -56.2038 6.42719 5.69271 TIMING: 4661800 CPU: 14815.1, 0.0031637/step Wall: 14815.1, 0.0031637/step, 0.297212 hours remaining, 237.128906 MB of memory in use. ENERGY: 4661800 4000.1672 20488.8401 14459.7411 234.8657 -203336.3011 2393.8908 0.0000 0.0000 52249.4251 -109509.3711 300.2782 -161758.7962 -109147.1283 299.3572 83.2951 112.6189 760199.8912 5.6991 5.8540 PRESSURE: 4662000 73.3836 -23.4589 -79.0465 -23.4589 40.7947 -139.484 -79.0466 -139.484 -11.1985 GPRESSURE: 4662000 120.938 40.6708 13.3053 -153.798 9.76549 -84.6106 -191.94 -117.279 49.6632 PRESSAVG: 4662000 62.9497 17.9594 -14.2896 17.9594 -35.9714 -2.18296 -14.2896 -2.18287 15.8724 GPRESSAVG: 4662000 61.3049 17.229 -15.8554 18.3694 -35.6938 -1.08889 -13.619 -3.13117 16.8425 TIMING: 4662000 CPU: 14815.8, 0.00317018/step Wall: 14815.8, 0.00317018/step, 0.297645 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4662000 3989.6535 20558.7064 14465.8659 251.5421 -203617.8822 2656.7699 0.0000 0.0000 52309.1481 -109386.1963 300.6214 -161695.3444 -109032.8819 299.2253 34.3266 60.1222 760952.1558 14.2836 14.1512 PRESSURE: 4662200 45.7171 147.895 26.9251 147.894 159.905 121.409 26.9255 121.408 -294.805 GPRESSURE: 4662200 139.56 90.9367 37.2997 135.472 116.197 43.833 90.9179 221.218 -268.253 PRESSAVG: 4662200 26.4094 -42.3498 -66.0917 -42.3498 0.0612959 -13.1163 -66.0917 -13.1162 -9.69949 GPRESSAVG: 4662200 26.2424 -40.8939 -64.9276 -42.7346 1.24742 -14.3912 -66.4492 -13.1771 -10.8335 TIMING: 4662200 CPU: 14816.4, 0.00318863/step Wall: 14816.4, 0.00318863/step, 0.2992 hours remaining, 237.128906 MB of memory in use. ENERGY: 4662200 4013.6224 20535.8226 14520.4580 247.3275 -203395.0443 2570.2118 0.0000 0.0000 52368.1513 -109139.4506 300.9605 -161507.6019 -108779.0721 299.5547 -29.7276 -4.1652 760710.1578 5.5904 5.5521 PRESSURE: 4662400 55.0729 -11.0501 -245.402 -11.0501 -237.66 -99.0982 -245.402 -99.098 105.812 GPRESSURE: 4662400 -21.2171 170.426 -274.18 -16.7693 -123.187 -39.9825 -184.117 -131.512 142.346 PRESSAVG: 4662400 -38.8771 -6.20743 -49.2114 -6.20744 27.3297 52.1656 -49.2114 52.1656 4.06041 GPRESSAVG: 4662400 -40.4146 -4.98238 -50.0452 -6.59303 28.1017 52.7123 -49.3717 52.5343 4.06344 TIMING: 4662400 CPU: 14817.1, 0.00319607/step Wall: 14817.1, 0.00319607/step, 0.299721 hours remaining, 237.128906 MB of memory in use. ENERGY: 4662400 4062.9765 20386.7912 14423.0964 238.6627 -203220.3096 2487.2405 0.0000 0.0000 52454.2505 -109167.2920 301.4553 -161621.5424 -108795.8023 300.2461 -25.5920 -0.6858 761248.2799 -2.4957 -2.7498 PRESSURE: 4662600 -27.1517 -47.3676 56.3889 -47.3686 159.953 48.3361 56.389 48.3382 -116.066 GPRESSURE: 4662600 -48.1918 -135.186 -72.3996 -58.0073 166.785 31.7513 157.056 -30.6186 -14.9323 PRESSAVG: 4662600 -17.4848 -52.5286 24.5982 -52.5286 26.6427 53.491 24.5982 53.491 -1.99165 GPRESSAVG: 4662600 -16.6571 -55.7241 24.7738 -51.3858 24.9546 54.2244 25.577 51.9134 -1.1093 TIMING: 4662600 CPU: 14817.7, 0.00317401/step Wall: 14817.7, 0.00317401/step, 0.297475 hours remaining, 237.128906 MB of memory in use. ENERGY: 4662600 4030.9706 20757.7065 14508.2342 238.0498 -203334.5193 2388.1384 0.0000 0.0000 52187.9631 -109223.4567 299.9249 -161411.4198 -108864.9537 300.3170 5.5782 34.5537 761082.1309 2.3888 2.3961 PRESSURE: 4662800 157.4 85.5083 75.0717 85.5082 114.387 62.7342 75.0719 62.7339 -12.0279 GPRESSURE: 4662800 235.268 17.8737 -22.2165 62.7164 146.611 102.366 129.427 109.523 -33.1024 PRESSAVG: 4662800 28.4333 -12.7759 -61.0149 -12.7759 -59.9321 3.56087 -61.015 3.56094 -2.4564 GPRESSAVG: 4662800 28.8082 -10.4487 -60.0302 -10.3565 -60.229 4.35055 -61.635 2.37358 -2.43639 TIMING: 4662800 CPU: 14818.3, 0.00317162/step Wall: 14818.3, 0.00317162/step, 0.297075 hours remaining, 237.128906 MB of memory in use. ENERGY: 4662800 4047.0297 20625.3541 14488.9683 230.5678 -203465.7032 2900.6869 0.0000 0.0000 52201.2179 -108971.8785 300.0011 -161173.0964 -108610.6429 300.1216 86.5861 116.2589 761980.6845 -11.3184 -11.2857 PRESSURE: 4663000 167.743 -20.0908 95.9669 -20.0904 -154.687 393.68 95.9672 393.678 -123.645 GPRESSURE: 4663000 167.583 0.984013 35.6209 101.523 -67.5633 351.424 73.2474 349.579 -131.37 PRESSAVG: 4663000 58.3521 22.0905 -34.4612 22.0905 -47.3848 -16.891 -34.4613 -16.891 10.785 GPRESSAVG: 4663000 58.5448 20.7895 -35.8766 19.0849 -47.4743 -18.8184 -30.9854 -15.1169 10.5081 TIMING: 4663000 CPU: 14819, 0.00316546/step Wall: 14819, 0.00316546/step, 0.296322 hours remaining, 237.128906 MB of memory in use. ENERGY: 4663000 4000.2790 20579.7128 14505.1534 244.3371 -203023.0768 2605.4632 0.0000 0.0000 52342.2786 -108745.8528 300.8118 -161088.1314 -108376.0658 300.7208 -36.8629 -10.4502 763708.7351 7.2508 7.1929 PRESSURE: 4663200 -126.547 162.337 43.3304 162.337 89.3962 -97.7293 43.3305 -97.7297 304.8 GPRESSURE: 4663200 9.873 169.832 -32.7369 147.656 100.685 -111.467 30.0742 -77.6778 259.266 PRESSAVG: 4663200 13.6803 46.9443 20.3507 46.9443 -35.7454 -23.4102 20.3507 -23.4102 -2.96268 GPRESSAVG: 4663200 12.9409 47.3944 20.8103 47.769 -35.3077 -23.039 17.5234 -22.4184 -2.63705 TIMING: 4663200 CPU: 14819.6, 0.00315075/step Wall: 14819.6, 0.00315075/step, 0.29477 hours remaining, 237.128906 MB of memory in use. ENERGY: 4663200 4005.1303 20698.6872 14512.6876 245.8241 -203201.1857 2653.5616 0.0000 0.0000 52303.2906 -108782.0043 300.5877 -161085.2949 -108422.0660 300.1534 89.2165 123.2748 762264.2909 -8.3426 -8.3346 PRESSURE: 4663400 -43.3783 -253.332 -30.4867 -253.333 179.358 -51.6146 -30.4862 -51.6144 -194.261 GPRESSURE: 4663400 23.3282 -256.367 2.48849 -243.207 175.966 -102.263 29.8058 -36.2244 -154.102 PRESSAVG: 4663400 19.702 37.9343 -17.278 37.9343 14.9345 -10.9749 -17.278 -10.975 -13.3865 GPRESSAVG: 4663400 20.4685 36.355 -15.1648 38.0043 14.2083 -12.0258 -16.1305 -8.99254 -13.7236 TIMING: 4663400 CPU: 14820.2, 0.00319194/step Wall: 14820.2, 0.00319194/step, 0.298446 hours remaining, 237.128906 MB of memory in use. ENERGY: 4663400 3998.6797 20632.0913 14457.6676 257.9507 -203231.3948 2779.1577 0.0000 0.0000 52514.3764 -108591.4714 301.8008 -161105.8477 -108230.0525 301.1803 -19.4271 15.0641 763006.6084 7.0833 6.9844 PRESSURE: 4663600 -301.317 81.52 -333.679 81.521 -129.191 -3.05729 -333.679 -3.05699 -5.91198 GPRESSURE: 4663600 -191.874 94.5203 -359.223 -26.3848 -188.639 -95.8523 -270.786 10.7381 28.2002 PRESSAVG: 4663600 62.543 -11.1015 -37.5818 -11.1015 -93.0299 43.6415 -37.5817 43.6415 7.34549 GPRESSAVG: 4663600 62.1268 -8.74345 -38.7598 -12.9401 -92.5578 42.6834 -39.352 40.2627 7.42791 TIMING: 4663600 CPU: 14820.9, 0.0031841/step Wall: 14820.9, 0.0031841/step, 0.297536 hours remaining, 237.128906 MB of memory in use. ENERGY: 4663600 4075.9431 20696.9535 14458.4657 247.5661 -202710.4045 2249.6313 0.0000 0.0000 52354.8520 -108626.9927 300.8841 -160981.8447 -108262.5697 301.4313 -145.4733 -117.4377 763618.8585 -7.7138 -7.6677 PRESSURE: 4663800 -75.2092 -127.118 -84.9978 -127.119 -127.408 23.1335 -84.9976 23.1338 329.104 GPRESSURE: 4663800 -61.1731 -47.8855 -101.083 -71.3541 -85.5313 97.0235 -190.52 -64.2792 321.69 PRESSAVG: 4663800 46.0378 29.595 -22.6769 29.5949 -40.5586 6.30198 -22.6768 6.30202 9.44674 GPRESSAVG: 4663800 45.7947 27.4775 -22.3269 32.2244 -41.2429 6.84689 -24.4726 9.13731 9.92768 TIMING: 4663800 CPU: 14821.5, 0.0031976/step Wall: 14821.5, 0.0031976/step, 0.298621 hours remaining, 237.128906 MB of memory in use. ENERGY: 4663800 3994.2071 20641.0189 14538.4155 255.8359 -203427.1518 2663.0292 0.0000 0.0000 52545.7327 -108788.9125 301.9810 -161334.6453 -108418.5419 300.9064 42.1622 58.3284 761671.2028 4.9753 4.8265 PRESSURE: 4664000 -132.937 66.1897 49.6973 66.1903 -473.024 -120.203 49.6977 -120.203 -98.4914 GPRESSURE: 4664000 -166.321 10.3948 87.5328 121.447 -369.155 -162.022 172.741 -83.2394 -83.991 PRESSAVG: 4664000 40.3003 0.0877201 8.66964 0.0876712 -21.1551 -25.7705 8.66964 -25.7705 -3.78418 GPRESSAVG: 4664000 40.8673 0.123184 7.14896 -1.06056 -20.4233 -24.5229 10.5059 -28.8451 -4.44642 TIMING: 4664000 CPU: 14822.1, 0.00318187/step Wall: 14822.1, 0.00318187/step, 0.296974 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4664000 4108.4453 20566.8898 14507.7257 238.1958 -203175.3118 2588.7591 0.0000 0.0000 52304.9814 -108860.3147 300.5974 -161165.2961 -108494.7961 301.0658 -234.8176 -206.4892 762074.7918 5.1204 5.3325 PRESSURE: 4664200 -223.566 27.5829 30.1006 27.5833 -524.759 93.7008 30.0999 93.7012 -75.7586 GPRESSURE: 4664200 -290.646 39.0993 46.2284 -37.2416 -345.487 67.5573 -92.7654 24.9011 -91.814 PRESSAVG: 4664200 0.431775 33.3472 -40.3123 33.3472 21.1069 -69.618 -40.3124 -69.6181 16.1338 GPRESSAVG: 4664200 0.481165 35.0738 -38.4691 33.235 21.3257 -70.2696 -39.991 -65.8961 15.9422 TIMING: 4664200 CPU: 14822.8, 0.00318873/step Wall: 14822.8, 0.00318873/step, 0.297438 hours remaining, 237.128906 MB of memory in use. ENERGY: 4664200 4017.9204 20613.3719 14443.0753 249.9511 -202994.1353 2630.6129 0.0000 0.0000 52099.8383 -108939.3654 299.4185 -161039.2037 -108576.9689 300.4102 -274.6945 -242.6492 762167.3447 12.5575 12.5830 LDB: ============= START OF LOAD BALANCING ============== 14835.2 LDB: ============== END OF LOAD BALANCING =============== 14835.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14835.2 LDB: ============= START OF LOAD BALANCING ============== 14835.5 LDB: Largest compute 7075 load 0.037699 is 19.2% of average load 0.195966 LDB: Average compute 0.004393 is 2.2% of average load 0.195966 LDB: TIME 14835.5 LOAD: AVG 0.195966 MAX 0.21799 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.926 MB LDB: TIME 14835.5 LOAD: AVG 0.195966 MAX 0.21799 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.93 MB LDB: TIME 14835.5 LOAD: AVG 0.195966 MAX 0.21799 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.93 MB LDB: ============== END OF LOAD BALANCING =============== 14835.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14835.5 PRESSURE: 4664400 69.2925 -157.711 77.7712 -157.71 -82.4834 -68.489 77.771 -68.49 344.385 GPRESSURE: 4664400 94.2789 -137.651 23.5581 -171.918 -10.3048 -79.4417 36.1292 -53.1206 333.316 PRESSAVG: 4664400 1.9774 -9.42032 -4.30709 -9.4204 -18.1646 9.8453 -4.30713 9.84538 8.60537 GPRESSAVG: 4664400 1.96114 -10.9823 -4.95086 -9.28028 -17.4144 11.1553 -5.0932 5.00872 8.00429 TIMING: 4664400 CPU: 14823.4, 0.00323611/step Wall: 14823.4, 0.00323611/step, 0.301677 hours remaining, 238.355469 MB of memory in use. ENERGY: 4664400 3982.9767 20557.2154 14420.9410 234.4637 -203114.8304 2602.2742 0.0000 0.0000 52396.4557 -108920.5038 301.1232 -161316.9595 -108558.6538 300.4313 110.3979 139.0968 761039.9960 -2.5273 -2.4830 PRESSURE: 4664600 -23.7412 -24.9056 -168.198 -24.9057 -49.6326 -268.641 -168.198 -268.641 140.285 GPRESSURE: 4664600 -102.921 -36.0187 -220.642 -61.3801 46.0654 -256.441 -214.002 -310.656 208.97 PRESSAVG: 4664600 -1.73192 3.38252 -20.2658 3.38247 -17.6486 -27.4735 -20.2658 -27.4736 24.6761 GPRESSAVG: 4664600 -2.53439 2.98996 -20.6515 4.5179 -17.0006 -27.7957 -19.8982 -24.9878 26.1167 TIMING: 4664600 CPU: 14824.1, 0.00316468/step Wall: 14824.1, 0.00316468/step, 0.294842 hours remaining, 238.355469 MB of memory in use. ENERGY: 4664600 4012.9487 20771.7095 14445.7646 247.8831 -202873.4079 2460.5533 0.0000 0.0000 52044.4708 -108890.0779 299.1003 -160934.5487 -108526.2243 300.6426 22.3036 50.7047 760521.7812 1.7652 2.1939 PRESSURE: 4664800 -44.7276 103.327 31.1021 103.327 -32.6499 24.438 31.1015 24.4382 204.165 GPRESSURE: 4664800 43.7481 14.2786 -43.5023 179.63 -68.5522 187.978 -50.5184 -144.524 214.166 PRESSAVG: 4664800 -17.1239 15.2483 -26.2345 15.2483 -8.83117 -26.1668 -26.2345 -26.1668 -8.50876 GPRESSAVG: 4664800 -17.0194 15.7682 -27.0842 16.044 -9.82714 -27.0062 -25.6637 -25.3147 -8.14211 TIMING: 4664800 CPU: 14824.7, 0.00314784/step Wall: 14824.7, 0.00314784/step, 0.293099 hours remaining, 238.355469 MB of memory in use. ENERGY: 4664800 4036.9520 20849.7979 14509.9490 238.3359 -202951.8854 2410.7889 0.0000 0.0000 51922.5861 -108983.4756 298.3998 -160906.0617 -108632.1632 299.9108 42.2626 63.1205 761488.0200 -11.4879 -11.6629 PRESSURE: 4665000 -66.0895 138.63 -205.458 138.629 -3.53887 -34.1816 -205.458 -34.1821 202.414 GPRESSURE: 4665000 7.99789 156.122 -308.977 171.906 43.4151 -44.263 -34.442 -81.2924 164.488 PRESSAVG: 4665000 9.64903 35.0401 -19.8682 35.0401 30.0108 -47.2624 -19.8682 -47.2625 -18.1291 GPRESSAVG: 4665000 11.6552 36.1405 -17.0593 32.7601 29.854 -46.673 -21.6913 -48.842 -19.3774 TIMING: 4665000 CPU: 14825.3, 0.00316058/step Wall: 14825.3, 0.00316058/step, 0.29411 hours remaining, 238.355469 MB of memory in use. ENERGY: 4665000 3908.2038 20611.8721 14440.6251 236.7541 -203540.4493 2732.4124 0.0000 0.0000 52252.9876 -109357.5942 300.2986 -161610.5818 -108991.1475 299.5194 44.2617 71.9671 760772.8610 7.1769 7.3773 PRESSURE: 4665200 -10.6356 -202.198 -115.676 -202.2 -225.355 20.6705 -115.674 20.6697 -574.206 GPRESSURE: 4665200 -21.7438 -206.983 -64.6907 -222.79 -168.637 48.2769 -86.6563 81.6442 -529.025 PRESSAVG: 4665200 0.579609 41.6167 -29.3543 41.6167 6.60612 -36.8799 -29.3544 -36.88 2.53986 GPRESSAVG: 4665200 0.0684015 40.445 -29.4843 42.1594 6.88943 -36.6527 -26.9902 -35.6833 2.82176 TIMING: 4665200 CPU: 14825.9, 0.00314546/step Wall: 14825.9, 0.00314546/step, 0.292528 hours remaining, 238.355469 MB of memory in use. ENERGY: 4665200 4038.1194 20694.9330 14403.1248 234.5144 -202899.2460 2190.5126 0.0000 0.0000 52143.6394 -109194.4023 299.6702 -161338.0417 -108818.6510 299.7089 -270.0654 -239.8018 761484.1203 3.2419 3.2599 PRESSURE: 4665400 160.857 5.75671 -230.999 5.75653 80.5079 40.8651 -230.999 40.8654 -6.7481 GPRESSURE: 4665400 308.945 80.1713 -182.675 83.6393 45.2597 40.9254 -325.82 0.432235 -45.6693 PRESSAVG: 4665400 -39.8731 11.7494 35.9803 11.7493 47.4079 -5.31406 35.9804 -5.314 -0.962994 GPRESSAVG: 4665400 -38.6049 13.5849 33.512 11.1401 48.4697 -4.96448 35.6072 -6.78203 -3.06892 TIMING: 4665400 CPU: 14826.6, 0.00316049/step Wall: 14826.6, 0.00316049/step, 0.29375 hours remaining, 238.355469 MB of memory in use. ENERGY: 4665400 3965.4448 20467.8159 14504.9255 238.1041 -203250.1077 2648.0410 0.0000 0.0000 52154.3751 -109271.4013 299.7319 -161425.7765 -108906.3075 299.7244 78.2057 102.8450 759609.0166 2.1906 2.2653 PRESSURE: 4665600 288.395 -78.6448 56.5673 -78.6452 75.1582 133.327 56.5673 133.327 411.354 GPRESSURE: 4665600 282.554 -125.681 36.3377 -71.8053 122.692 155.413 25.2492 123.965 442.05 PRESSAVG: 4665600 -0.123806 48.9312 14.0446 48.9312 -16.7644 -27.9587 14.0445 -27.9587 18.3081 GPRESSAVG: 4665600 -1.73545 47.774 14.0761 49.5996 -17.4932 -30.1314 14.3196 -26.2004 20.0958 TIMING: 4665600 CPU: 14827.2, 0.00316319/step Wall: 14827.2, 0.00316319/step, 0.293825 hours remaining, 238.355469 MB of memory in use. ENERGY: 4665600 3962.6693 20571.2953 14408.1391 256.9954 -203245.9711 2617.9716 0.0000 0.0000 52163.3251 -109265.5752 299.7833 -161428.9003 -108888.7152 299.9682 258.3025 282.4320 760930.8380 0.4733 0.2891 PRESSURE: 4665800 -194.514 42.3997 -32.4917 42.3999 -50.7507 -190.145 -32.4906 -190.145 -327.647 GPRESSURE: 4665800 -67.6709 130.725 -6.59652 11.6066 -81.7987 -132.423 90.0453 -152.382 -340.704 PRESSAVG: 4665800 -22.3398 32.1182 -41.1635 32.1183 -1.4536 16.1825 -41.1634 16.1826 -16.8109 GPRESSAVG: 4665800 -21.8985 33.2341 -39.4078 31.3918 -2.26008 16.2227 -42.3565 15.6425 -16.0133 TIMING: 4665800 CPU: 14827.8, 0.00314792/step Wall: 14827.8, 0.00314792/step, 0.292232 hours remaining, 238.355469 MB of memory in use. ENERGY: 4665800 4014.5290 20492.5794 14465.8248 255.4580 -203340.9802 2540.3994 0.0000 0.0000 52154.3175 -109417.8721 299.7316 -161572.1896 -109049.8353 299.8280 -190.9705 -163.3910 762129.8178 -13.5348 -13.3906 PRESSURE: 4666000 163.301 15.085 59.3681 15.0851 -140.058 -59.0885 59.3687 -59.088 -126.939 GPRESSURE: 4666000 272.57 71.9121 137.051 36.2552 -205.299 -63.5668 39.2312 -57.8862 -92.916 PRESSAVG: 4666000 3.07155 28.9655 -49.7863 28.9655 -23.9807 -38.9392 -49.7863 -38.9392 2.17309 GPRESSAVG: 4666000 2.54361 28.4249 -51.2252 29.7118 -23.1514 -37.4203 -50.6696 -40.1989 1.44569 TIMING: 4666000 CPU: 14828.5, 0.00319096/step Wall: 14828.5, 0.00319096/step, 0.29605 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4666000 4085.5058 20680.0375 14443.3922 243.1467 -203809.8914 2793.8075 0.0000 0.0000 52329.7264 -109234.2751 300.7397 -161564.0016 -108860.7226 299.3867 -34.5651 -8.5483 760879.9659 -6.2454 -6.3874 PRESSURE: 4666200 16.0518 178.221 -35.9805 178.222 -17.8597 -126.633 -35.9801 -126.632 -288.258 GPRESSURE: 4666200 113.295 102.475 -62.1194 101.356 50.2784 -120.958 -76.5319 -121.579 -375.844 PRESSAVG: 4666200 6.33768 46.1979 10.7469 46.1979 -25.3644 -9.88095 10.7468 -9.88093 5.68174 GPRESSAVG: 4666200 7.11244 46.1893 11.1552 45.7609 -25.5634 -10.2529 10.6762 -10.0891 5.35076 TIMING: 4666200 CPU: 14829.1, 0.00317923/step Wall: 14829.1, 0.00317923/step, 0.294785 hours remaining, 238.355469 MB of memory in use. ENERGY: 4666200 3992.3313 20581.8089 14409.0257 252.5951 -203503.3225 2619.3882 0.0000 0.0000 52305.9893 -109342.1841 300.6032 -161648.1734 -108969.0882 299.8674 -96.6887 -70.7570 759554.7517 -4.4483 -4.3667 PRESSURE: 4666400 219.016 162.162 -56.1695 162.162 123.01 87.0829 -56.1696 87.0837 291.659 GPRESSURE: 4666400 278.456 205.108 -53.6941 56.9456 104.184 79.496 -129.032 45.4822 342.92 PRESSAVG: 4666400 11.4067 -38.9019 -32.1818 -38.9019 33.6143 11.911 -32.1819 11.9111 -12.6208 GPRESSAVG: 4666400 11.3616 -38.5521 -30.3123 -39.4669 33.5924 11.6626 -31.0822 10.8591 -12.7099 TIMING: 4666400 CPU: 14829.7, 0.00314377/step Wall: 14829.7, 0.00314377/step, 0.291323 hours remaining, 238.355469 MB of memory in use. ENERGY: 4666400 3962.1094 20494.2003 14501.3373 229.2858 -203138.3715 2438.8307 0.0000 0.0000 52149.2504 -109363.3575 299.7025 -161512.6079 -108996.4673 299.8307 211.2282 241.8534 760475.1902 10.8001 10.7480 PRESSURE: 4666600 -359.586 111.561 146.343 111.56 -110.642 -99.9948 146.344 -99.9928 -223.608 GPRESSURE: 4666600 -415.41 1.49174 209.31 -7.79578 -5.2678 -124.786 99.2273 76.422 -188.665 PRESSAVG: 4666600 -51.374 -14.7197 31.1995 -14.7196 11.6306 -14.6685 31.1995 -14.6685 -12.8485 GPRESSAVG: 4666600 -51.5353 -17.0463 30.0579 -13.8759 10.4573 -14.6947 28.2321 -12.1239 -11.3664 TIMING: 4666600 CPU: 14830.4, 0.00316309/step Wall: 14830.4, 0.00316309/step, 0.292937 hours remaining, 238.355469 MB of memory in use. ENERGY: 4666600 4000.3285 20541.8783 14381.3722 261.7258 -203415.9317 2567.6420 0.0000 0.0000 52146.9282 -109516.0568 299.6891 -161662.9850 -109147.0242 299.3831 -231.2785 -203.1144 761520.5223 -17.5306 -17.4814 PRESSURE: 4666800 -240.015 27.2114 -201.39 27.2109 139.112 128.159 -201.39 128.16 -148.869 GPRESSURE: 4666800 -126.898 -39.0802 -166.252 28.6381 113.396 204.56 -235.622 102.876 -121.649 PRESSAVG: 4666800 -39.4453 -62.6868 56.3565 -62.6868 32.6865 -9.49134 56.3566 -9.49133 -12.8085 GPRESSAVG: 4666800 -38.9683 -62.2436 55.3238 -62.1619 33.1244 -9.7275 60.3383 -10.9711 -13.5594 TIMING: 4666800 CPU: 14831, 0.00319081/step Wall: 14831, 0.00319081/step, 0.295328 hours remaining, 238.355469 MB of memory in use. ENERGY: 4666800 3955.4436 20509.5280 14440.0081 241.8521 -203019.7866 2365.7805 0.0000 0.0000 52288.4069 -109218.7674 300.5022 -161507.1743 -108852.9518 299.4134 -83.2575 -45.0503 762122.3721 -6.5224 -6.4678 PRESSURE: 4667000 -155.228 53.065 78.4968 53.0647 -514.741 38.7933 78.4967 38.792 29.5672 GPRESSURE: 4667000 -112.161 85.6027 143.426 53.5205 -435.311 -38.7702 -94.3574 27.4505 -13.1188 PRESSAVG: 4667000 28.6794 18.7637 -24.1364 18.7638 -30.4423 -12.0709 -24.1364 -12.0709 32.9098 GPRESSAVG: 4667000 27.4405 20.0037 -24.6142 17.6629 -29.3693 -11.2005 -24.8722 -11.3055 32.8724 TIMING: 4667000 CPU: 14831.6, 0.00317222/step Wall: 14831.6, 0.00317222/step, 0.293431 hours remaining, 238.355469 MB of memory in use. ENERGY: 4667000 3991.0200 20627.3428 14417.9682 245.9588 -203644.2361 2845.4071 0.0000 0.0000 52148.7767 -109367.7625 299.6997 -161516.5392 -109008.2314 299.7833 -213.4674 -186.8637 761167.8428 10.3823 10.3146 PRESSURE: 4667200 266.324 60.8298 -95.9467 60.8292 -32.1289 -179.881 -95.9469 -179.881 -369.862 GPRESSURE: 4667200 276.316 95.765 -88.1812 19.9379 -15.8071 -206.788 -14.3198 -25.5965 -321.609 PRESSAVG: 4667200 -24.9161 2.52679 15.3653 2.52685 20.7742 11.2642 15.3652 11.2641 -9.73528 GPRESSAVG: 4667200 -24.2597 1.27798 18.1973 4.25375 21.2656 11.9283 12.3189 10.2132 -11.0905 TIMING: 4667200 CPU: 14832.3, 0.00317875/step Wall: 14832.3, 0.00317875/step, 0.293858 hours remaining, 238.355469 MB of memory in use. ENERGY: 4667200 3982.0177 20522.0340 14475.4113 234.8917 -203538.2704 2611.9035 0.0000 0.0000 52114.7640 -109597.2481 299.5043 -161712.0121 -109232.2671 299.5221 -45.2223 -20.3666 760295.8350 -4.6257 -4.6948 PRESSURE: 4667400 189.219 18.6613 -175.099 18.662 105.257 -129.094 -175.098 -129.094 236.813 GPRESSURE: 4667400 128.753 150.688 -211.962 73.8914 239.656 -101.167 -128.156 -131.332 254.868 PRESSAVG: 4667400 41.7368 -21.1427 0.486281 -21.1427 -36.5302 5.91368 0.486259 5.91366 2.23733 GPRESSAVG: 4667400 40.9013 -20.2891 -1.26716 -21.2269 -37.0016 4.87715 3.84873 5.44164 3.90556 TIMING: 4667400 CPU: 14832.9, 0.00317685/step Wall: 14832.9, 0.00317685/step, 0.293506 hours remaining, 238.355469 MB of memory in use. ENERGY: 4667400 4026.1679 20625.7759 14417.4298 242.9848 -203648.6562 2541.0005 0.0000 0.0000 51990.8876 -109804.4096 298.7923 -161795.2972 -109429.3896 299.1374 177.0960 207.7591 759731.6306 2.4813 2.6018 PRESSURE: 4667600 97.1605 145.664 183.453 145.665 51.2077 -248.501 183.453 -248.501 -91.2025 GPRESSURE: 4667600 70.6596 132.467 249.32 217.886 105.016 -163.326 156.757 -146.519 -31.0175 PRESSAVG: 4667600 38.3988 29.6282 12.8751 29.6282 -27.204 4.6534 12.8751 4.65341 0.861038 GPRESSAVG: 4667600 39.1911 28.2879 14.272 29.3206 -27.6711 5.75462 12.2266 6.49038 0.557816 TIMING: 4667600 CPU: 14833.6, 0.00318035/step Wall: 14833.6, 0.00318035/step, 0.293652 hours remaining, 238.355469 MB of memory in use. ENERGY: 4667600 3967.1987 20492.5571 14467.5131 238.9013 -203791.9743 2716.9043 0.0000 0.0000 52224.7712 -109684.1287 300.1365 -161908.8999 -109319.6215 299.1767 19.0553 48.2193 761867.1981 4.0186 4.0259 PRESSURE: 4667800 -198.119 -169.549 243.303 -169.549 -288.861 -49.0737 243.303 -49.074 -651.951 GPRESSURE: 4667800 -214.49 -232.594 242.128 -129.497 -168.16 -14.9852 90.9066 -177.233 -681.382 PRESSAVG: 4667800 -6.83284 31.3787 17.3271 31.3787 6.24571 0.290556 17.327 0.290605 18.4451 GPRESSAVG: 4667800 -6.84804 32.6904 16.2615 28.8879 5.80266 -0.539826 17.4303 -0.0471885 18.8472 TIMING: 4667800 CPU: 14834.2, 0.00318832/step Wall: 14834.2, 0.00318832/step, 0.294211 hours remaining, 238.355469 MB of memory in use. ENERGY: 4667800 4010.8657 20643.6565 14470.8737 263.2245 -203597.6597 2449.4406 0.0000 0.0000 51905.2150 -109854.3838 298.3000 -161759.5988 -109489.8668 299.2947 -379.6437 -354.6770 761476.6352 5.9527 5.9339 PRESSURE: 4668000 -37.3652 26.8592 56.2056 26.8597 -114.36 98.3491 56.2045 98.3492 75.6402 GPRESSURE: 4668000 -65.0226 -44.3067 76.3975 -82.9436 -79.1621 28.0653 79.0458 43.3211 143.58 PRESSAVG: 4668000 -5.86929 -83.2254 34.5835 -83.2253 9.77826 -3.73933 34.5835 -3.73938 11.4696 GPRESSAVG: 4668000 -5.90317 -83.886 33.6006 -82.3885 9.77146 -3.26477 35.8982 -5.53496 11.4662 TIMING: 4668000 CPU: 14834.8, 0.00317712/step Wall: 14834.8, 0.00317712/step, 0.293001 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4668000 4060.1886 20536.1116 14415.8013 241.2367 -203717.5545 2729.5055 0.0000 0.0000 51954.8192 -109779.8917 298.5851 -161734.7109 -109429.3140 298.9454 -25.3618 -0.2015 762907.7867 5.1262 5.1115 PRESSURE: 4668200 -259.905 90.7263 -205.043 90.7269 46.3157 -113.671 -205.043 -113.671 143.403 GPRESSURE: 4668200 -106.194 91.2406 -201.913 84.0448 -71.6602 -92.135 -236.344 -21.7916 193.489 PRESSAVG: 4668200 -5.89834 33.7859 -24.5236 33.7858 4.81184 -30.1423 -24.5236 -30.1423 -7.12796 GPRESSAVG: 4668200 -5.75687 34.1654 -21.4211 33.0015 4.77043 -29.6606 -24.655 -28.7727 -7.57365 TIMING: 4668200 CPU: 14835.5, 0.00316158/step Wall: 14835.5, 0.00316157/step, 0.291392 hours remaining, 238.355469 MB of memory in use. ENERGY: 4668200 4052.2871 20581.9873 14464.7622 245.6406 -203625.0740 2666.9617 0.0000 0.0000 51786.9703 -109826.4648 297.6204 -161613.4351 -109473.1963 298.8403 -23.3956 5.2114 761084.0048 -2.7382 -2.8534 LDB: ============= START OF LOAD BALANCING ============== 14847.9 LDB: ============== END OF LOAD BALANCING =============== 14847.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14847.9 LDB: ============= START OF LOAD BALANCING ============== 14848.2 LDB: Largest compute 7075 load 0.037330 is 19.0% of average load 0.195980 LDB: Average compute 0.004409 is 2.2% of average load 0.195980 LDB: TIME 14848.2 LOAD: AVG 0.19598 MAX 0.218033 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 14848.2 LOAD: AVG 0.19598 MAX 0.218033 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: TIME 14848.2 LOAD: AVG 0.19598 MAX 0.218033 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: ============== END OF LOAD BALANCING =============== 14848.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14848.2 PRESSURE: 4668400 -180.788 23.5064 135.059 23.5067 -22.1091 -86.0187 135.059 -86.0191 -111.543 GPRESSURE: 4668400 -203.485 -59.5882 174.079 121.796 94.6078 -80.0029 224.404 -71.6216 -86.6343 PRESSAVG: 4668400 -5.7359 26.6916 -20.8144 26.6916 -2.26295 -14.5427 -20.8144 -14.5427 11.3849 GPRESSAVG: 4668400 -6.09082 26.4795 -20.6677 28.4255 -2.20666 -14.9796 -23.009 -13.4992 11.7736 TIMING: 4668400 CPU: 14836.1, 0.00325195/step Wall: 14836.1, 0.00325195/step, 0.299541 hours remaining, 238.980469 MB of memory in use. ENERGY: 4668400 3970.7975 20431.2673 14429.6695 243.6654 -203593.1155 2544.6689 0.0000 0.0000 52050.1461 -109922.9007 299.1329 -161973.0468 -109556.3682 298.6298 -104.8134 -65.1707 759553.8359 1.1287 1.1587 PRESSURE: 4668600 -324.79 155.289 -127.986 155.289 -175.154 158.809 -127.987 158.808 -130.957 GPRESSURE: 4668600 -369.1 282.602 -79.2183 18.309 -99.7843 99.4047 -102.202 243.59 -80.7871 PRESSAVG: 4668600 21.5927 30.7832 -43.7432 30.7832 -16.4652 34.8579 -43.7433 34.858 -12.6914 GPRESSAVG: 4668600 20.5103 31.24 -43.1489 27.356 -15.1993 34.366 -41.0351 32.7809 -12.3879 TIMING: 4668600 CPU: 14836.7, 0.00317161/step Wall: 14836.7, 0.00317161/step, 0.291964 hours remaining, 239.183594 MB of memory in use. ENERGY: 4668600 4047.0990 20737.9448 14513.9603 266.9790 -203779.5164 2415.1400 0.0000 0.0000 51878.5405 -109919.8529 298.1467 -161798.3933 -109565.5617 298.9487 -210.3003 -183.2237 759286.8469 -2.5213 -2.3590 PRESSURE: 4668800 -315.674 -105.78 25.0709 -105.78 -213.301 -50.8445 25.0707 -50.8439 -201.236 GPRESSURE: 4668800 -227.204 63.7237 -30.3719 -42.6614 -281.237 -46.4226 19.1425 -99.1504 -131.836 PRESSAVG: 4668800 43.627 -37.6213 10.5151 -37.6213 -35.24 39.6762 10.515 39.6761 -3.63249 GPRESSAVG: 4668800 43.725 -37.3193 9.3201 -34.3052 -35.367 38.8387 10.6384 40.8384 -3.56157 TIMING: 4668800 CPU: 14837.4, 0.00314667/step Wall: 14837.4, 0.00314667/step, 0.289494 hours remaining, 239.183594 MB of memory in use. ENERGY: 4668800 4044.7445 20682.4362 14484.6873 254.7826 -203691.1411 2373.8336 0.0000 0.0000 51741.5351 -110109.1218 297.3593 -161850.6569 -109746.7457 298.5702 -243.4039 -213.4256 759804.8504 1.5848 1.5988 PRESSURE: 4669000 151.995 33.0695 -10.8004 33.0695 123.903 -164.115 -10.801 -164.117 381.879 GPRESSURE: 4669000 231.955 -6.0131 61.5935 31.5448 136.929 -90.3683 -112.651 -163.078 371.265 PRESSAVG: 4669000 32.0615 -17.0911 81.184 -17.0911 -45.7438 -6.71951 81.184 -6.71946 10.6432 GPRESSAVG: 4669000 33.7616 -19.3592 80.6152 -16.7603 -47.1673 -5.42324 78.5134 -7.32378 9.91151 TIMING: 4669000 CPU: 14838, 0.00315941/step Wall: 14838, 0.00315941/step, 0.290491 hours remaining, 239.183594 MB of memory in use. ENERGY: 4669000 3980.0569 20487.1123 14439.3663 255.6173 -203562.1799 2537.0091 0.0000 0.0000 51956.1123 -109906.9057 298.5925 -161863.0180 -109548.2418 298.7160 219.2588 246.7166 758781.4949 -1.0130 -1.1647 PRESSURE: 4669200 431.323 -92.0257 -61.5757 -92.0252 180.067 -50.5631 -61.5774 -50.5636 -19.8005 GPRESSURE: 4669200 364.604 -46.9515 47.373 84.3695 315.689 -20.3415 -67.5975 38.645 -6.19509 PRESSAVG: 4669200 15.2754 -19.2827 46.031 -19.2827 -25.674 -28.9048 46.0311 -28.9048 -3.22158 GPRESSAVG: 4669200 15.3306 -18.453 45.6041 -19.6254 -24.7328 -27.6031 47.4918 -28.9686 -4.06116 TIMING: 4669200 CPU: 14838.6, 0.00317794/step Wall: 14838.6, 0.00317794/step, 0.292017 hours remaining, 239.183594 MB of memory in use. ENERGY: 4669200 3947.6837 20482.9931 14459.1865 260.0780 -203966.4650 2815.8066 0.0000 0.0000 52020.0834 -109980.6337 298.9601 -162000.7171 -109629.4430 298.5118 197.1963 224.6993 760000.7863 -4.5401 -4.4878 PRESSURE: 4669400 -49.1985 -97.9127 -110.256 -97.912 -399.261 97.6812 -110.256 97.6799 -257.993 GPRESSURE: 4669400 -149.346 -152.675 -21.9565 -105.081 -284.066 150.609 -5.21388 174.435 -189.37 PRESSAVG: 4669400 -6.67191 40.2155 15.628 40.2155 -36.4697 43.4017 15.6279 43.4016 19.4272 GPRESSAVG: 4669400 -7.55107 39.7678 14.6029 39.6579 -36.3096 41.7097 14.6835 42.4617 20.7369 TIMING: 4669400 CPU: 14839.3, 0.00314616/step Wall: 14839.3, 0.00314616/step, 0.288923 hours remaining, 239.183594 MB of memory in use. ENERGY: 4669400 3986.0198 20684.9567 14440.6195 242.7105 -203527.4910 2485.3199 0.0000 0.0000 51838.1006 -109849.7639 297.9143 -161687.8645 -109491.0758 298.9951 -235.4842 -207.5940 759296.0927 -7.9048 -7.7079 PRESSURE: 4669600 -369.606 296.34 144.665 296.341 347.74 -9.91903 144.666 -9.91851 226.273 GPRESSURE: 4669600 -255.5 214.933 123.846 287.096 322.315 -28.2136 114.908 -74.2481 208.437 PRESSAVG: 4669600 36.6839 43.0091 17.659 43.0091 -17.4265 21.7876 17.659 21.7875 -10.9035 GPRESSAVG: 4669600 37.7722 40.6655 18.4915 43.8913 -18.0058 22.6388 19.1658 21.5324 -12.3987 TIMING: 4669600 CPU: 14839.9, 0.00315505/step Wall: 14839.9, 0.00315505/step, 0.289564 hours remaining, 239.183594 MB of memory in use. ENERGY: 4669600 3981.9684 20635.9014 14486.3148 246.4019 -203970.6977 2812.8686 0.0000 0.0000 52048.6010 -109758.6415 299.1240 -161807.2425 -109386.7366 299.1519 68.1360 91.7505 758958.3641 2.7846 2.4559 PRESSURE: 4669800 -526.923 83.4131 -24.607 83.4131 -62.1039 10.9218 -24.6075 10.9226 -371.81 GPRESSURE: 4669800 -357.784 92.2167 -49.0454 10.9995 -140.038 -53.7121 -61.2177 31.5226 -382.353 PRESSAVG: 4669800 -43.2749 0.584229 -20.781 0.584134 9.40926 5.90125 -20.781 5.90131 1.14478 GPRESSAVG: 4669800 -42.1024 1.69024 -21.7989 -1.77703 8.57145 6.13472 -21.5919 6.65263 1.02846 TIMING: 4669800 CPU: 14840.5, 0.00319577/step Wall: 14840.5, 0.00319577/step, 0.293123 hours remaining, 239.183594 MB of memory in use. ENERGY: 4669800 3988.9541 20480.7042 14512.8311 254.3692 -203116.3220 2202.9266 0.0000 0.0000 52001.1252 -109675.4116 298.8512 -161676.5368 -109309.1905 299.0555 -320.2790 -293.3917 762536.7234 -10.9069 -10.8342 PRESSURE: 4670000 -44.8475 69.0546 58.3 69.0546 -469.861 47.9467 58.3005 47.9461 -442.172 GPRESSURE: 4670000 -83.2873 -14.8818 93.7404 96.6494 -315.076 75.9909 31.0886 8.94402 -464.696 PRESSAVG: 4670000 21.0861 -26.8239 -2.71889 -26.8238 -21.4264 -4.39333 -2.71892 -4.39342 4.13161 GPRESSAVG: 4670000 20.4374 -26.5954 -1.84841 -25.4054 -21.4998 -5.14191 -2.8943 -2.66694 5.19745 TIMING: 4670000 CPU: 14841.2, 0.00317983/step Wall: 14841.2, 0.00317983/step, 0.291485 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4670000 4036.2614 20474.1640 14495.7233 239.6838 -203509.9546 2382.9472 0.0000 0.0000 52202.5162 -109678.6585 300.0086 -161881.1747 -109310.5125 299.6615 -318.9603 -287.6864 760306.5242 1.2638 1.3784 PRESSURE: 4670200 162.633 120.775 89.6476 120.774 371.737 -81.8982 89.6484 -81.899 371.705 GPRESSURE: 4670200 174.156 93.1566 71.9653 112.603 445.769 -97.4963 17.0551 -45.3443 336.269 PRESSAVG: 4670200 1.63636 -3.60262 -47.5995 -3.60258 -23.146 -10.6921 -47.5994 -10.6921 7.3787 GPRESSAVG: 4670200 2.11987 -3.34574 -49.4329 -2.02627 -23.4249 -10.1687 -44.0731 -10.7604 7.00794 TIMING: 4670200 CPU: 14841.8, 0.00315765/step Wall: 14841.8, 0.00315765/step, 0.289276 hours remaining, 239.183594 MB of memory in use. ENERGY: 4670200 4043.2006 20752.1004 14533.6174 254.0748 -203875.3294 2756.0486 0.0000 0.0000 51917.4451 -109618.8425 298.3703 -161536.2877 -109259.5567 299.3519 302.0253 318.7312 760857.3943 -4.7103 -4.7657 PRESSURE: 4670400 -49.0803 76.7727 -181.197 76.7732 254.756 95.9192 -181.196 95.9196 464.513 GPRESSURE: 4670400 14.211 154.642 -103.284 102.605 334.347 59.5997 -125.371 148.634 409.417 PRESSAVG: 4670400 -5.49752 7.32129 20.8763 7.32132 -30.1043 -3.63594 20.8763 -3.63585 -18.4255 GPRESSAVG: 4670400 -5.39149 7.47065 21.1239 6.05309 -29.3893 -3.23825 17.4525 -5.00965 -18.8026 TIMING: 4670400 CPU: 14842.4, 0.00318053/step Wall: 14842.4, 0.00318053/step, 0.291195 hours remaining, 239.183594 MB of memory in use. ENERGY: 4670400 3981.1099 20715.6350 14454.9905 238.0789 -203622.5802 2637.6107 0.0000 0.0000 52340.2579 -109254.8973 300.8002 -161595.1552 -108889.2775 299.6685 223.3962 252.6585 762333.4661 -18.0091 -17.8611 PRESSURE: 4670600 -105.36 129.984 68.5442 129.984 122.647 -68.634 68.5447 -68.6337 391.634 GPRESSURE: 4670600 -26.3657 96.4821 103.509 151.395 194.966 -91.6768 -72.6812 -179.813 302.831 PRESSAVG: 4670600 39.3805 47.7976 18.8476 47.7975 -49.8734 25.0446 18.8476 25.0446 1.62335 GPRESSAVG: 4670600 39.1095 47.4484 19.1183 48.6936 -49.9545 24.3703 20.6318 26.3874 2.02615 TIMING: 4670600 CPU: 14843.1, 0.00315838/step Wall: 14843.1, 0.00315838/step, 0.288992 hours remaining, 239.183594 MB of memory in use. ENERGY: 4670600 4019.3662 20645.2941 14562.9603 250.7634 -203551.2975 2509.6636 0.0000 0.0000 52098.3751 -109464.8748 299.4101 -161563.2499 -109091.0184 300.4107 136.3067 157.1438 760957.5691 -2.9565 -2.9396 PRESSURE: 4670800 -368.429 108.828 139.185 108.829 17.2801 78.6423 139.184 78.6418 242.379 GPRESSURE: 4670800 -324.592 67.6452 95.3065 91.7382 83.8636 195.798 93.7483 96.8451 217.064 PRESSAVG: 4670800 -8.86029 -20.0136 -13.1327 -20.0136 16.8164 42.2077 -13.1327 42.2077 -17.7996 GPRESSAVG: 4670800 -9.4684 -19.0883 -12.9604 -21.2214 17.0552 43.6073 -12.9288 39.9579 -17.4683 TIMING: 4670800 CPU: 14843.7, 0.00315661/step Wall: 14843.7, 0.00315661/step, 0.288654 hours remaining, 239.441406 MB of memory in use. ENERGY: 4670800 3990.7904 20618.9116 14539.3977 238.2206 -203497.3507 2580.6819 0.0000 0.0000 51970.9234 -109558.4251 298.6776 -161529.3485 -109189.0709 299.1771 -36.2567 -7.8883 761481.9450 -3.2811 -3.2939 PRESSURE: 4671000 -35.7184 -124.47 -146.867 -124.469 324.006 14.1757 -146.867 14.1765 212.046 GPRESSURE: 4671000 7.79968 -78.8018 -91.1153 -87.3429 364.54 25.4442 -114.345 110.291 215.777 PRESSAVG: 4671000 12.7728 19.5028 14.5789 19.5028 -9.77881 -13.1563 14.5788 -13.1564 19.246 GPRESSAVG: 4671000 13.5738 17.7075 16.3305 20.3525 -9.98687 -13.8951 13.7969 -9.637 18.0215 TIMING: 4671000 CPU: 14844.3, 0.00316084/step Wall: 14844.3, 0.00316084/step, 0.288866 hours remaining, 239.441406 MB of memory in use. ENERGY: 4671000 3926.2934 20647.7013 14447.6918 253.8718 -203552.4840 2666.5366 0.0000 0.0000 51979.8367 -109630.5525 298.7288 -161610.3892 -109260.7574 299.7537 166.7778 196.0387 761136.7906 7.4133 7.2028 PRESSURE: 4671200 -121.31 186.497 -84.8526 186.496 -359.185 -101.67 -84.8521 -101.67 27.0228 GPRESSURE: 4671200 -180.958 159.496 -95.4396 62.5772 -250.005 -185.21 -39.0651 -289.847 67.4098 PRESSAVG: 4671200 -7.53177 -47.5633 9.4667 -47.5633 75.442 21.3219 9.46674 21.3219 3.55945 GPRESSAVG: 4671200 -8.20389 -46.2603 8.40904 -48.682 76.1774 21.2554 9.31434 17.8192 4.30802 TIMING: 4671200 CPU: 14845, 0.00317502/step Wall: 14845, 0.00317502/step, 0.289985 hours remaining, 239.441406 MB of memory in use. ENERGY: 4671200 4026.1054 20672.0452 14501.4865 230.2707 -203352.0878 2338.0801 0.0000 0.0000 51776.3860 -109807.7139 297.5596 -161584.1000 -109454.5923 299.5476 -151.1571 -121.1846 760943.1479 23.8232 24.0938 PRESSURE: 4671400 -43.9849 -35.7114 116.355 -35.7114 62.5676 -114.682 116.355 -114.683 -167.802 GPRESSURE: 4671400 -56.5763 -130.642 112.991 15.6094 66.2179 -0.161146 185.268 -28.245 -108.182 PRESSAVG: 4671400 19.7421 -58.926 10.2997 -58.9261 -36.2077 5.98832 10.2997 5.98832 -4.13171 GPRESSAVG: 4671400 20.1236 -59.541 9.506 -58.2875 -37.1993 5.58123 11.4022 8.47493 -3.66914 TIMING: 4671400 CPU: 14845.6, 0.00315948/step Wall: 14845.6, 0.00315948/step, 0.288391 hours remaining, 239.441406 MB of memory in use. ENERGY: 4671400 3975.7269 20555.6774 14539.5570 257.3599 -203745.4522 2704.0341 0.0000 0.0000 51886.5816 -109826.5154 298.1929 -161713.0970 -109465.3691 298.7211 -49.7398 -32.8466 762003.3185 -6.8658 -6.9150 PRESSURE: 4671600 168.208 -156.283 51.0296 -156.284 -174.586 29.7857 51.0301 29.7853 663.757 GPRESSURE: 4671600 220.379 -191.47 35.6891 -150.236 -72.5337 131.21 76.0844 1.4739 579.398 PRESSAVG: 4671600 -0.557568 -37.6832 66.4756 -37.6831 14.4049 12.7657 66.4757 12.7657 4.01672 GPRESSAVG: 4671600 0.0246711 -37.7344 68.6451 -39.0797 14.7294 13.652 64.1216 11.6047 3.55697 TIMING: 4671600 CPU: 14846.2, 0.00317164/step Wall: 14846.2, 0.00317164/step, 0.289324 hours remaining, 239.441406 MB of memory in use. ENERGY: 4671600 3966.7025 20529.2889 14540.8886 238.3442 -203789.1853 2687.9889 0.0000 0.0000 52158.8279 -109667.1442 299.7575 -161825.9722 -109303.5075 299.1262 219.1264 242.4145 760788.6347 5.9547 6.1037 PRESSURE: 4671800 212.058 -3.10556 -43.6523 -3.10593 266.97 -143.795 -43.6528 -143.795 346.025 GPRESSURE: 4671800 219.172 -128.206 -49.1265 -19.8771 291.663 -41.9407 -133.446 -109.026 408.555 PRESSAVG: 4671800 30.8088 -26.764 46.0055 -26.7641 -5.06742 -7.73906 46.0055 -7.73902 15.2783 GPRESSAVG: 4671800 29.4434 -27.5584 45.4767 -24.3929 -3.44406 -8.14914 47.6974 -6.26483 15.0185 TIMING: 4671800 CPU: 14846.9, 0.00318839/step Wall: 14846.9, 0.0031884/step, 0.290675 hours remaining, 239.441406 MB of memory in use. ENERGY: 4671800 3968.7135 20674.7532 14488.6309 236.7571 -203769.1379 2885.4532 0.0000 0.0000 52054.5917 -109460.2382 299.1585 -161514.8299 -109103.4655 299.4964 275.0176 306.4633 759620.7716 13.6732 13.6726 PRESSURE: 4672000 -422.736 -216.48 -4.0784 -216.48 -3.21429 -221.52 -4.07851 -221.52 -116.85 GPRESSURE: 4672000 -306.626 -259.808 -5.61222 -227.746 -41.4358 -289.959 103.466 -202.907 -125.478 PRESSAVG: 4672000 -13.971 0.0638825 -34.5699 0.0638562 12.1117 -70.7262 -34.57 -70.7262 3.87892 GPRESSAVG: 4672000 -14.4175 0.570027 -35.0096 0.869663 11.3265 -70.7835 -34.6451 -71.9632 4.94917 TIMING: 4672000 CPU: 14847.5, 0.00317869/step Wall: 14847.5, 0.00317868/step, 0.289613 hours remaining, 239.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4672000 3939.1931 20534.4682 14477.9763 234.8962 -203734.0251 2810.5947 0.0000 0.0000 52050.7017 -109686.1948 299.1361 -161736.8965 -109321.5891 299.3888 -180.9333 -157.8465 763106.3440 0.6732 0.6194 PRESSURE: 4672200 -1.21773 243.481 -55.4282 243.481 198.388 204.422 -55.4281 204.423 -249.301 GPRESSURE: 4672200 14.8974 194.851 -66.0752 108.963 225.85 198.451 -4.33516 209.281 -215.254 PRESSAVG: 4672200 57.1704 -53.9911 54.4872 -53.9911 -31.709 -53.6709 54.4872 -53.6708 4.04823 GPRESSAVG: 4672200 58.2642 -52.7504 54.7482 -55.6054 -33.0763 -53.558 53.4913 -53.0969 4.09716 TIMING: 4672200 CPU: 14848.1, 0.00317817/step Wall: 14848.1, 0.00317817/step, 0.28939 hours remaining, 239.441406 MB of memory in use. ENERGY: 4672200 4036.1240 20593.1872 14462.4570 221.4804 -203979.9231 2884.5898 0.0000 0.0000 51989.9892 -109792.0955 298.7872 -161782.0847 -109445.6644 298.8521 -17.3769 8.4979 762545.4338 9.8366 9.7617 LDB: ============= START OF LOAD BALANCING ============== 14860.5 LDB: ============== END OF LOAD BALANCING =============== 14860.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14860.6 LDB: ============= START OF LOAD BALANCING ============== 14860.9 LDB: Largest compute 7075 load 0.036349 is 18.5% of average load 0.195987 LDB: Average compute 0.004391 is 2.2% of average load 0.195987 LDB: TIME 14860.9 LOAD: AVG 0.195987 MAX 0.217008 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.625 MB LDB: TIME 14860.9 LOAD: AVG 0.195987 MAX 0.217008 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.625 MB LDB: TIME 14860.9 LOAD: AVG 0.195987 MAX 0.217008 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14860.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14860.9 PRESSURE: 4672400 411.722 -116.617 134.472 -116.617 -113.63 311.68 134.472 311.68 -257.775 GPRESSURE: 4672400 466.049 -127.408 97.6648 -158.955 -111.038 276.946 -53.7092 276.598 -233.506 PRESSAVG: 4672400 7.24852 7.51795 24.6392 7.51795 -35.0919 23.9548 24.6392 23.9548 19.2247 GPRESSAVG: 4672400 7.60403 6.55627 23.7046 6.76575 -34.014 23.7631 24.2462 21.2711 17.9933 TIMING: 4672400 CPU: 14848.8, 0.00323089/step Wall: 14848.8, 0.00323089/step, 0.294011 hours remaining, 239.183594 MB of memory in use. ENERGY: 4672400 3942.9433 20599.7884 14524.6370 239.8174 -203538.7119 2614.9666 0.0000 0.0000 51713.2923 -109903.2668 297.1970 -161616.5591 -109550.7638 298.2793 13.4390 40.5018 762064.4477 -2.8729 -2.8055 PRESSURE: 4672600 -285 -91.324 141.953 -91.3242 -128.776 153.456 141.954 153.457 -229.623 GPRESSURE: 4672600 -287.909 -205.049 136.082 -145.73 -115.531 168.202 173.619 161.583 -146.183 PRESSAVG: 4672600 72.9724 11.006 35.0804 11.006 -9.55466 62.4442 35.0804 62.4442 -20.6845 GPRESSAVG: 4672600 73.0894 11.7621 34.9924 11.5176 -10.0164 62.6493 37.6583 63.7477 -20.3125 TIMING: 4672600 CPU: 14849.4, 0.00317285/step Wall: 14849.4, 0.00317285/step, 0.288553 hours remaining, 239.253906 MB of memory in use. ENERGY: 4672600 4020.1181 20564.9420 14506.5899 242.4912 -203735.1090 2430.1940 0.0000 0.0000 51892.6367 -110078.1369 298.2277 -161970.7736 -109713.8715 298.5467 -214.4659 -183.2074 761502.0769 14.2444 14.2535 PRESSURE: 4672800 -274.494 134.843 170.459 134.843 -70.0149 -32.6487 170.459 -32.6483 -324.729 GPRESSURE: 4672800 -243.935 164.071 184.305 165.923 -43.4376 -102.114 156.829 -82.2684 -302.874 PRESSAVG: 4672800 -40.3687 -47.2517 28.0557 -47.2518 7.8677 55.2086 28.0558 55.2085 -7.2813 GPRESSAVG: 4672800 -41.538 -47.6715 26.5135 -47.7473 9.14934 56.0065 25.7288 54.237 -7.34344 TIMING: 4672800 CPU: 14850.1, 0.00317008/step Wall: 14850.1, 0.00317008/step, 0.288125 hours remaining, 239.253906 MB of memory in use. ENERGY: 4672800 4013.3677 20612.3865 14523.7299 255.7469 -204165.2861 2850.9970 0.0000 0.0000 51873.8875 -110035.1706 298.1199 -161909.0581 -109672.5494 297.5089 -223.0792 -196.7488 761700.1080 -13.2608 -13.2440 PRESSURE: 4673000 583.519 -261.497 -189.931 -261.497 150.855 -180.882 -189.931 -180.883 172.734 GPRESSURE: 4673000 517.644 -168.622 -172.09 -213.967 192.492 -158.278 -107.993 -165.261 253.271 PRESSAVG: 4673000 -7.67007 -76.9927 -40.0908 -76.9927 -28.4463 35.2824 -40.0908 35.2825 -14.7395 GPRESSAVG: 4673000 -6.54522 -78.1516 -38.6006 -74.7632 -30.0094 33.9859 -40.149 38.7869 -14.1678 TIMING: 4673000 CPU: 14850.7, 0.00316682/step Wall: 14850.7, 0.00316682/step, 0.287653 hours remaining, 239.253906 MB of memory in use. ENERGY: 4673000 3985.7152 20510.6875 14473.4215 264.3822 -203807.0680 2619.4389 0.0000 0.0000 52102.3513 -109851.0714 299.4329 -161953.4227 -109482.2829 298.5658 302.3694 321.1358 759631.6109 -16.9519 -16.9075 PRESSURE: 4673200 0.580097 -75.2564 -102.878 -75.2573 -108.164 -37.2894 -102.878 -37.2884 14.1737 GPRESSURE: 4673200 56.3695 -45.2918 -176.721 -91.4741 -90.4242 73.881 -65.6412 -42.7256 34.0302 PRESSAVG: 4673200 12.3265 20.6493 -17.4926 20.6494 39.0075 -38.732 -17.4925 -38.7321 9.04503 GPRESSAVG: 4673200 12.8553 20.2805 -16.4181 19.6035 39.1667 -39.6098 -15.6934 -39.0963 8.7919 TIMING: 4673200 CPU: 14851.3, 0.00316119/step Wall: 14851.3, 0.00316119/step, 0.286966 hours remaining, 239.253906 MB of memory in use. ENERGY: 4673200 3961.2540 20599.7734 14476.3249 242.4887 -203584.2603 2510.2205 0.0000 0.0000 51820.6745 -109973.5243 297.8141 -161794.1988 -109612.6309 298.4840 -31.1367 -0.0082 760851.9633 20.1263 20.2713 PRESSURE: 4673400 -263.266 -90.3924 156.941 -90.3919 -250.592 78.1308 156.941 78.131 -296.37 GPRESSURE: 4673400 -223.262 -24.679 128.28 -70.3611 -206.176 72.9663 98.604 76.1542 -280.971 PRESSAVG: 4673400 -31.6361 3.06921 49.4898 3.06929 -37.7453 -7.85165 49.4898 -7.85162 6.58521 GPRESSAVG: 4673400 -32.2373 5.43326 48.949 1.23838 -37.1324 -5.52089 47.0158 -9.46835 6.39194 TIMING: 4673400 CPU: 14852, 0.00316312/step Wall: 14852, 0.00316312/step, 0.286965 hours remaining, 239.253906 MB of memory in use. ENERGY: 4673400 4024.9669 20519.9671 14473.9129 261.7967 -203602.8997 2424.3589 0.0000 0.0000 52065.3963 -109832.5008 299.2205 -161897.8971 -109485.3765 298.9904 -270.0758 -236.8030 759857.7559 -20.9321 -20.9926 PRESSURE: 4673600 46.0873 -105.119 -41.1762 -105.118 -208.566 165.415 -41.1775 165.415 291.446 GPRESSURE: 4673600 50.5947 -143.557 -11.2051 -123.441 -137.398 79.188 14.3601 33.1083 297.432 PRESSAVG: 4673600 19.6168 -24.988 39.459 -24.988 33.8909 36.8685 39.4589 36.8685 -0.912533 GPRESSAVG: 4673600 19.514 -25.2327 37.8132 -24.4387 33.4059 34.5498 41.8607 36.6123 -0.993644 TIMING: 4673600 CPU: 14852.6, 0.0031643/step Wall: 14852.6, 0.0031643/step, 0.286897 hours remaining, 239.253906 MB of memory in use. ENERGY: 4673600 3962.3589 20477.3045 14458.8654 242.8791 -203862.7702 2684.6899 0.0000 0.0000 52179.7099 -109856.9626 299.8775 -162036.6725 -109509.9412 298.9213 42.9890 70.2093 760691.7749 17.5317 17.3087 PRESSURE: 4673800 -66.2873 130.415 -0.094226 130.415 32.75 -31.2241 -0.0932994 -31.2257 -316.632 GPRESSURE: 4673800 17.6817 118.863 -51.0957 86.7827 46.7239 -18.6005 -65.6875 39.3472 -333.298 PRESSAVG: 4673800 16.3836 24.9878 -61.6376 24.9877 -19.1766 1.28938 -61.6376 1.28938 2.20427 GPRESSAVG: 4673800 15.7264 25.311 -60.0351 24.5787 -19.0454 1.46603 -62.6906 1.97682 2.52918 TIMING: 4673800 CPU: 14853.2, 0.00315906/step Wall: 14853.2, 0.00315906/step, 0.286246 hours remaining, 239.253906 MB of memory in use. ENERGY: 4673800 3975.1097 20526.2545 14432.8313 254.4055 -203352.6060 2317.8500 0.0000 0.0000 52216.5166 -109629.6385 300.0890 -161846.1552 -109258.5244 299.4374 -116.7233 -89.6308 760548.0435 -0.1962 -0.2633 PRESSURE: 4674000 -203.778 -49.3162 132.789 -49.3166 34.2226 -268.763 132.789 -268.763 -300.629 GPRESSURE: 4674000 -206.326 -22.928 120.481 40.64 95.1159 -230.49 95.7682 -199.399 -267.689 PRESSAVG: 4674000 20.9095 2.31933 -34.3629 2.31935 -41.1447 -17.9973 -34.3629 -17.9973 -4.17841 GPRESSAVG: 4674000 22.4757 3.805 -34.9637 2.22574 -41.9625 -18.5429 -34.978 -16.9603 -5.17354 TIMING: 4674000 CPU: 14853.9, 0.00318226/step Wall: 14853.9, 0.00318226/step, 0.288172 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4674000 4054.4398 20487.4084 14441.7259 237.7823 -203466.2449 2478.7837 0.0000 0.0000 52052.4237 -109713.6810 299.1460 -161766.1047 -109351.1378 299.2663 -156.7281 -126.2998 760412.1896 -8.1379 -8.2201 PRESSURE: 4674200 -134.727 12.6996 -105.218 12.7 58.1029 152.092 -105.217 152.092 -208.183 GPRESSURE: 4674200 -127.219 106.953 -138.554 79.7027 163.076 122.172 -105.292 -11.9327 -240.464 PRESSAVG: 4674200 -61.1542 29.892 -63.3192 29.892 8.3588 -8.10825 -63.3191 -8.10833 21.0967 GPRESSAVG: 4674200 -62.6918 31.0931 -64.3284 30.0432 8.96044 -7.42158 -61.4077 -9.281 22.357 TIMING: 4674200 CPU: 14854.5, 0.00317751/step Wall: 14854.5, 0.00317751/step, 0.287565 hours remaining, 239.253906 MB of memory in use. ENERGY: 4674200 4024.1178 20683.8155 14520.2165 266.7611 -202953.4364 2070.9623 0.0000 0.0000 51993.8870 -109393.6763 298.8096 -161387.5633 -109037.4448 299.5076 -94.9359 -68.2024 760440.9558 -10.5662 -10.4581 PRESSURE: 4674400 -163.807 43.7997 233.757 43.7996 -74.4604 245.976 233.758 245.976 42.137 GPRESSURE: 4674400 -46.5713 23.2113 325.05 41.9758 -126.484 199.295 271.22 130.109 27.8888 PRESSAVG: 4674400 -38.2409 -18.9127 20.9402 -18.9127 25.196 -28.4363 20.9402 -28.4363 14.3308 GPRESSAVG: 4674400 -38.5461 -23.303 22.1784 -17.6411 26.1541 -29.3308 19.7466 -29.1647 13.3496 TIMING: 4674400 CPU: 14855.1, 0.00318246/step Wall: 14855.1, 0.00318246/step, 0.287836 hours remaining, 239.253906 MB of memory in use. ENERGY: 4674400 4048.1818 20680.4107 14395.8995 239.3703 -203576.9678 2660.5426 0.0000 0.0000 52158.9410 -109393.6219 299.7582 -161552.5629 -109037.0162 299.5848 -65.3767 -48.3887 761794.2591 0.4286 0.3192 PRESSURE: 4674600 -17.8878 13.2464 100.49 13.2452 252.871 -186.323 100.491 -186.324 -202.544 GPRESSURE: 4674600 53.7804 39.5847 145.195 -31.4453 266.297 -224.393 -0.767324 -20.6778 -195.089 PRESSAVG: 4674600 -6.76626 1.18864 18.1409 1.1887 15.6123 -52.1292 18.1408 -52.1292 9.13162 GPRESSAVG: 4674600 -5.41143 3.89857 17.191 -1.17687 13.8417 -52.1112 18.5984 -50.5535 10.1046 TIMING: 4674600 CPU: 14855.8, 0.00317571/step Wall: 14855.8, 0.00317571/step, 0.287049 hours remaining, 239.253906 MB of memory in use. ENERGY: 4674600 3932.5279 20551.1140 14532.7763 235.1222 -203304.3575 2464.7576 0.0000 0.0000 52039.8449 -109548.2146 299.0737 -161588.0595 -109185.2212 299.5418 10.8131 41.6629 761934.8681 5.9925 6.1783 PRESSURE: 4674800 -24.0437 -27.8988 -107.405 -27.8984 -37.3937 -70.7688 -107.404 -70.7672 -243.877 GPRESSURE: 4674800 19.9057 -75.2711 -122.662 -80.6762 -11.585 -69.7084 -58.926 -31.8397 -261.527 PRESSAVG: 4674800 16.4641 4.90499 13.5351 4.90501 29.9873 55.9559 13.535 55.9559 8.25397 GPRESSAVG: 4674800 17.0274 5.75091 11.2798 6.19532 31.2452 55.8072 14.047 55.4346 7.69435 TIMING: 4674800 CPU: 14856.4, 0.00316749/step Wall: 14856.4, 0.00316749/step, 0.28613 hours remaining, 239.253906 MB of memory in use. ENERGY: 4674800 3974.3351 20607.9753 14492.5774 231.6511 -203106.7372 2178.3736 0.0000 0.0000 52094.1561 -109527.6686 299.3858 -161621.8247 -109161.1709 299.4909 -101.7716 -84.4023 761144.7923 18.2351 18.6556 PRESSURE: 4675000 184.029 -121.252 135.107 -121.251 -58.4709 -123.384 135.108 -123.383 -79.7846 GPRESSURE: 4675000 245.011 -167.394 197.12 -53.6933 -44.0032 -181.661 198.529 -88.149 -80.1391 PRESSAVG: 4675000 -1.86576 27.3606 32.78 27.3606 -48.2682 -36.3099 32.78 -36.31 9.78901 GPRESSAVG: 4675000 -3.03426 24.5318 34.7216 27.7931 -47.7635 -35.6152 32.4638 -40.1798 9.8148 TIMING: 4675000 CPU: 14857, 0.00315244/step Wall: 14857, 0.00315244/step, 0.284595 hours remaining, 239.253906 MB of memory in use. ENERGY: 4675000 4026.6705 20495.9428 14541.3559 258.5154 -203728.9474 2624.7476 0.0000 0.0000 52277.9581 -109503.7570 300.4421 -161781.7152 -109141.2513 299.7408 15.2579 40.2896 758424.6111 -13.4483 -13.6610 PRESSURE: 4675200 -28.6003 74.3331 -184.146 74.3327 219.437 -389.198 -184.144 -389.196 -0.978291 GPRESSURE: 4675200 54.3328 19.1218 -234.139 -65.6001 265.68 -274.488 -109.153 -246.043 -28.276 PRESSAVG: 4675200 30.4642 -5.48575 8.59012 -5.48576 -15.9657 -55.9265 8.59012 -55.9264 -31.9934 GPRESSAVG: 4675200 31.2082 -4.15116 9.06851 -5.55146 -16.5695 -56.9544 6.89414 -52.5259 -31.2252 TIMING: 4675200 CPU: 14857.7, 0.0031658/step Wall: 14857.7, 0.0031658/step, 0.285626 hours remaining, 239.253906 MB of memory in use. ENERGY: 4675200 3974.5993 20527.2537 14391.7950 235.7334 -203611.6923 2764.6869 0.0000 0.0000 52222.4998 -109495.1242 300.1234 -161717.6240 -109131.1091 299.4682 63.2860 97.2455 761256.8891 -5.8316 -5.5288 PRESSURE: 4675400 -51.9216 -15.6317 43.3509 -15.6316 -1.1643 -47.1221 43.3514 -47.1224 -147.007 GPRESSURE: 4675400 -43.1599 -25.3003 59.8874 64.5915 -4.76747 -8.37709 -52.3053 -24.4051 -79.163 PRESSAVG: 4675400 -0.904081 14.3925 -7.84188 14.3925 -32.7546 6.37804 -7.84191 6.37809 -4.21559 GPRESSAVG: 4675400 0.916648 15.2369 -8.45232 16.5111 -33.5294 8.42433 -6.80609 5.75792 -4.43139 TIMING: 4675400 CPU: 14858.3, 0.00316726/step Wall: 14858.3, 0.00316727/step, 0.285582 hours remaining, 239.253906 MB of memory in use. ENERGY: 4675400 3932.2226 20531.1896 14397.6239 242.4359 -202972.3166 2365.6992 0.0000 0.0000 52127.3351 -109375.8103 299.5765 -161503.1454 -109018.9570 299.5803 -66.6976 -42.3635 762430.7020 -12.6248 -12.3481 PRESSURE: 4675600 -92.8135 -75.9264 -66.4652 -75.9266 156.952 78.5845 -66.4649 78.5856 291.717 GPRESSURE: 4675600 -5.7391 -101.477 -22.4754 -66.7072 161.6 91.1089 -61.8077 57.601 298.118 PRESSAVG: 4675600 34.1873 -12.5317 39.6004 -12.5317 9.54901 -24.5155 39.6004 -24.5155 6.63214 GPRESSAVG: 4675600 33.7336 -15.0944 39.5692 -12.2612 8.94847 -25.1644 41.6272 -24.6361 7.17945 TIMING: 4675600 CPU: 14858.9, 0.00314972/step Wall: 14858.9, 0.00314972/step, 0.283825 hours remaining, 239.253906 MB of memory in use. ENERGY: 4675600 4005.7464 20676.1032 14468.4908 250.2015 -203035.3362 2496.5772 0.0000 0.0000 51623.1585 -109515.0587 296.6790 -161138.2172 -109164.3968 299.4130 118.6182 151.3260 759674.6134 16.7895 16.6205 PRESSURE: 4675800 70.4226 121.593 91.1856 121.593 -32.9812 89.0409 91.1865 89.0418 -37.0761 GPRESSURE: 4675800 50.1905 166.669 119.473 -6.91451 -26.0842 9.27147 -46.5951 188.761 67.5087 PRESSAVG: 4675800 46.1821 2.99214 -44.3111 2.99213 -12.303 8.6568 -44.311 8.65683 39.6195 GPRESSAVG: 4675800 45.6707 3.58685 -42.7441 0.259444 -10.977 8.01608 -47.819 8.40125 38.3911 TIMING: 4675800 CPU: 14859.6, 0.00315752/step Wall: 14859.6, 0.00315752/step, 0.284352 hours remaining, 239.253906 MB of memory in use. ENERGY: 4675800 4004.5313 20611.5497 14438.7657 249.3714 -203827.1779 2750.9957 0.0000 0.0000 52236.3479 -109535.6162 300.2030 -161771.9641 -109179.8341 299.6384 0.1218 30.5383 760641.4477 24.4995 24.3616 PRESSURE: 4676000 -180.547 196.912 -80.6569 196.911 -304.578 -22.7635 -80.6581 -22.7618 149.622 GPRESSURE: 4676000 -127.006 246.149 -83.7808 160.064 -278.599 13.2604 27.7269 -62.2736 161.317 PRESSAVG: 4676000 28.7582 3.19307 4.51382 3.19311 -46.8328 11.1937 4.51384 11.1937 -11.1457 GPRESSAVG: 4676000 28.443 4.26858 2.43595 4.48032 -47.9608 12.5189 6.61088 11.9991 -9.78499 TIMING: 4676000 CPU: 14860.2, 0.00316291/step Wall: 14860.2, 0.00316291/step, 0.284662 hours remaining, 239.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4676000 4017.3669 20635.3492 14486.3598 232.8363 -202791.4353 2246.9165 0.0000 0.0000 51911.7701 -109260.8364 298.3377 -161172.6066 -108902.9900 299.6278 -111.8346 -81.4291 760371.3908 -9.7401 -9.7676 PRESSURE: 4676200 -38.4543 -80.9099 -32.4205 -80.9096 135.717 -403.386 -32.4191 -403.385 72.5075 GPRESSURE: 4676200 -2.04132 -131.07 1.31736 -119.71 134.749 -307.456 49.5162 -306.136 91.878 PRESSAVG: 4676200 -0.313078 45.2246 -22.7732 45.2246 -31.6371 2.46627 -22.7732 2.46626 -4.35237 GPRESSAVG: 4676200 -0.657686 44.7176 -22.0987 45.8244 -31.4092 1.6465 -21.7124 1.71488 -4.84614 TIMING: 4676200 CPU: 14860.8, 0.0031624/step Wall: 14860.8, 0.0031624/step, 0.28444 hours remaining, 239.253906 MB of memory in use. ENERGY: 4676200 4023.9440 20612.6422 14516.1577 254.4441 -203219.3085 2530.6375 0.0000 0.0000 52049.6175 -109231.8653 299.1299 -161281.4829 -108880.2682 299.6174 56.5900 74.8619 760903.7249 -12.1009 -12.3043 LDB: ============= START OF LOAD BALANCING ============== 14873.2 LDB: ============== END OF LOAD BALANCING =============== 14873.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14873.2 LDB: ============= START OF LOAD BALANCING ============== 14873.5 LDB: Largest compute 7075 load 0.036269 is 18.5% of average load 0.196030 LDB: Average compute 0.004400 is 2.2% of average load 0.196030 LDB: TIME 14873.5 LOAD: AVG 0.19603 MAX 0.218398 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.188 MB LDB: TIME 14873.5 LOAD: AVG 0.19603 MAX 0.218398 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: TIME 14873.5 LOAD: AVG 0.19603 MAX 0.218398 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: ============== END OF LOAD BALANCING =============== 14873.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14873.6 PRESSURE: 4676400 -65.3115 169.794 218.801 169.794 -270.999 85.4399 218.802 85.4395 81.9535 GPRESSURE: 4676400 -104.153 209.218 155.156 174.876 -129.909 17.7007 133.484 40.6048 70.8852 PRESSAVG: 4676400 4.28376 20.4959 -4.11432 20.4959 -40.0346 -68.3926 -4.11433 -68.3926 -6.23003 GPRESSAVG: 4676400 5.11692 20.5532 -2.37877 20.3748 -39.6925 -67.9515 -7.16041 -70.1919 -7.16267 TIMING: 4676400 CPU: 14861.5, 0.00321751/step Wall: 14861.5, 0.00321751/step, 0.289219 hours remaining, 238.980469 MB of memory in use. ENERGY: 4676400 4008.8318 20529.8854 14503.0416 241.8055 -203349.9107 2513.8116 0.0000 0.0000 52309.5624 -109242.9724 300.6238 -161552.5348 -108869.1555 299.4936 -84.7856 -54.3924 761466.8691 -13.9936 -13.9128 PRESSURE: 4676600 -477.233 135.127 -28.1767 135.127 -47.3461 -75.8748 -28.1776 -75.8742 17.2775 GPRESSURE: 4676600 -338.714 -20 -12.966 132.536 -139.453 -6.86427 86.6725 -124.881 51.9485 PRESSAVG: 4676600 45.8613 -3.73007 11.7619 -3.73012 -82.3163 -9.29877 11.7619 -9.29878 -17.9656 GPRESSAVG: 4676600 46.0791 -5.5899 9.79025 -2.89285 -82.1181 -10.2375 10.2395 -6.55489 -18.6719 TIMING: 4676600 CPU: 14862.1, 0.00317607/step Wall: 14862.1, 0.00317607/step, 0.285317 hours remaining, 239.183594 MB of memory in use. ENERGY: 4676600 3948.2926 20746.4097 14469.5438 241.4164 -203125.2862 2320.3396 0.0000 0.0000 52353.2429 -109046.0411 300.8748 -161399.2840 -108682.8286 299.9919 -169.1006 -142.0727 760000.6500 -18.1402 -18.2370 PRESSURE: 4676800 109.654 68.9382 -147.335 68.9395 172.054 262.171 -147.336 262.171 31.3163 GPRESSURE: 4676800 251.765 31.2582 -148.752 145.957 100.234 210.549 -62.0283 394.948 27.8341 PRESSAVG: 4676800 -1.19274 10.95 -7.27938 10.95 -10.3569 37.831 -7.27941 37.831 -16.8605 GPRESSAVG: 4676800 -1.34337 12.3153 -7.16614 10.8901 -10.5841 38.401 -3.49875 39.3824 -16.462 TIMING: 4676800 CPU: 14862.7, 0.00319818/step Wall: 14862.7, 0.00319818/step, 0.287125 hours remaining, 239.183594 MB of memory in use. ENERGY: 4676800 4029.5648 20865.6460 14441.8994 232.9430 -203239.3166 2454.2163 0.0000 0.0000 52220.7293 -108994.3178 300.1132 -161215.0471 -108638.1547 300.4987 104.3413 126.6107 760091.0535 -9.4701 -9.4632 PRESSURE: 4677000 36.3866 -123.143 58.9757 -123.143 -67.597 309.219 58.9751 309.218 -607.921 GPRESSURE: 4677000 22.5879 -38.5305 73.2717 -159.045 -28.1968 299.025 118.226 346.64 -544.545 PRESSAVG: 4677000 56.6629 21.8242 -32.6985 21.8242 -37.9433 28.9356 -32.6985 28.9356 8.58738 GPRESSAVG: 4677000 56.7875 21.9393 -33.1814 19.7851 -37.9345 27.726 -33.4358 27.528 8.09314 TIMING: 4677000 CPU: 14863.4, 0.00317771/step Wall: 14863.4, 0.00317771/step, 0.285111 hours remaining, 239.183594 MB of memory in use. ENERGY: 4677000 3986.8654 20615.9535 14423.7954 256.5889 -203042.4016 2347.5915 0.0000 0.0000 52375.3613 -109036.2457 301.0019 -161411.6070 -108656.3449 300.8532 -213.0437 -183.3847 760814.1498 9.1023 8.9821 PRESSURE: 4677200 4.30796 -98.6635 -236.581 -98.6629 -448.594 -23.7783 -236.582 -23.778 -185.489 GPRESSURE: 4677200 23.4417 -74.9563 -174.401 -108.532 -280.998 67.218 -188.549 -57.7202 -278.269 PRESSAVG: 4677200 42.4413 -4.56651 -8.71802 -4.56653 -53.5089 21.7273 -8.71801 21.7273 -35.9457 GPRESSAVG: 4677200 41.9029 -4.87381 -7.92813 -4.63989 -53.1615 23.3934 -7.44391 21.9123 -35.6171 TIMING: 4677200 CPU: 14864, 0.00317077/step Wall: 14864, 0.00317077/step, 0.284313 hours remaining, 239.183594 MB of memory in use. ENERGY: 4677200 3991.7108 20535.6566 14518.9670 239.0368 -203117.5923 2436.1439 0.0000 0.0000 52207.7575 -109188.3198 300.0387 -161396.0773 -108826.4989 300.4289 -209.9250 -178.6083 762033.4343 -15.6711 -15.6252 PRESSURE: 4677400 -1.50051 4.47871 -372.199 4.47869 191.88 -97.8393 -372.2 -97.839 212.151 GPRESSURE: 4677400 -11.0753 53.5887 -458.835 -68.6346 279.665 -73.7853 -305.727 -71.8678 232.063 PRESSAVG: 4677400 37.0523 -7.45143 -8.6303 -7.45143 -31.4966 -3.93218 -8.63028 -3.93225 -5.18177 GPRESSAVG: 4677400 36.0065 -6.054 -7.15698 -6.38136 -30.7339 -4.62535 -10.2371 -2.95265 -4.82687 TIMING: 4677400 CPU: 14864.6, 0.00315885/step Wall: 14864.6, 0.00315885/step, 0.283068 hours remaining, 239.183594 MB of memory in use. ENERGY: 4677400 3993.0778 20604.2845 14520.9276 262.8953 -203698.6688 2845.1198 0.0000 0.0000 52231.8085 -109240.5552 300.1769 -161472.3637 -108873.4290 300.0943 134.1770 166.8842 760069.4892 0.1246 0.1486 PRESSURE: 4677600 -83.2406 -22.2962 182.819 -22.2963 -271.51 79.3886 182.819 79.3886 -0.024582 GPRESSURE: 4677600 -42.8496 51.5897 153.41 -63.1557 -234.246 53.3435 99.0726 112.965 -0.078922 PRESSAVG: 4677600 38.854 -24.7578 -82.3813 -24.7578 -15.9253 -35.7969 -82.3813 -35.7969 -17.788 GPRESSAVG: 4677600 38.9687 -25.6963 -83.3716 -25.0042 -16.7747 -35.5164 -81.4129 -35.0852 -17.0961 TIMING: 4677600 CPU: 14865.3, 0.00315709/step Wall: 14865.3, 0.00315709/step, 0.282735 hours remaining, 239.183594 MB of memory in use. ENERGY: 4677600 3995.8346 20600.3717 14438.3642 275.4475 -203181.7355 2539.0954 0.0000 0.0000 52165.8445 -109166.7776 299.7978 -161332.6221 -108798.1734 300.3757 -118.2586 -92.3914 762339.7021 1.7136 1.6993 PRESSURE: 4677800 -0.535034 198.607 126.732 198.607 449.507 -2.73498 126.731 -2.73481 9.15691 GPRESSURE: 4677800 97.4748 142.82 104.367 152.828 395.748 -59.9796 173.278 113.324 30.1069 PRESSAVG: 4677800 7.09512 -3.76578 -3.04799 -3.7658 10.6866 -24.8212 -3.04791 -24.8213 -8.75626 GPRESSAVG: 4677800 8.07331 -3.62974 -1.8772 -3.13645 11.0873 -25.3517 -5.33297 -27.0705 -10.1232 TIMING: 4677800 CPU: 14865.9, 0.00316134/step Wall: 14865.9, 0.00316134/step, 0.28294 hours remaining, 239.183594 MB of memory in use. ENERGY: 4677800 4013.5444 20569.4001 14568.0070 263.1297 -203825.3221 2865.7273 0.0000 0.0000 52292.8205 -109252.6930 300.5276 -161545.5135 -108892.1954 300.0680 152.7096 174.4431 761760.6904 3.0085 3.0125 PRESSURE: 4678000 -72.9216 -47.4773 -183.389 -47.4764 147.491 -183.982 -183.388 -183.982 555.314 GPRESSURE: 4678000 74.4339 1.1208 -237.143 6.84412 203.288 -200.979 -125.093 -27.2576 453.095 PRESSAVG: 4678000 22.3881 1.67241 24.1202 1.67246 -34.291 -46.8349 24.1202 -46.835 -5.57235 GPRESSAVG: 4678000 23.1376 1.38885 21.2201 1.55084 -33.8011 -45.352 25.7819 -46.2062 -6.25161 TIMING: 4678000 CPU: 14866.5, 0.00318239/step Wall: 14866.5, 0.00318239/step, 0.284647 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4678000 4021.7571 20594.2267 14506.3809 233.7844 -203964.4788 2776.0900 0.0000 0.0000 52377.9686 -109454.2711 301.0169 -161832.2397 -109078.7146 300.3146 209.9610 243.6055 759631.7174 -5.8251 -5.6384 PRESSURE: 4678200 -116.615 -32.2463 135.997 -32.2471 -443.95 24.5498 135.996 24.5507 -397.413 GPRESSURE: 4678200 -74.6402 -27.9845 122.685 -86.4157 -426.043 73.7146 72.9672 24.0532 -386.722 PRESSAVG: 4678200 45.1101 39.2946 -13.4149 39.2945 -13.9964 -37.1456 -13.4151 -37.1457 0.779003 GPRESSAVG: 4678200 43.3726 41.2277 -12.3024 38.0364 -13.1383 -39.8113 -12.4103 -36.8839 1.87841 TIMING: 4678200 CPU: 14867.2, 0.00316653/step Wall: 14867.2, 0.00316653/step, 0.283053 hours remaining, 239.183594 MB of memory in use. ENERGY: 4678200 4092.0032 20722.3288 14430.6114 264.0905 -203327.4892 2243.5200 0.0000 0.0000 52125.5093 -109449.4260 299.5660 -161574.9353 -109090.8996 299.5670 -319.3258 -295.8019 761108.7613 10.6309 10.7042 PRESSURE: 4678400 123.845 57.8606 61.2605 57.8603 90.9214 18.5907 61.2614 18.591 -31.9287 GPRESSURE: 4678400 127.613 -139.113 12.802 27.8779 110.863 -153.841 71.3783 169.971 31.2553 PRESSAVG: 4678400 -4.58931 -19.6156 -2.77857 -19.6156 -47.2238 20.2481 -2.77856 20.2481 -7.6375 GPRESSAVG: 4678400 -3.41871 -20.5265 -3.57537 -19.569 -48.0573 22.0676 -2.95179 20.681 -8.09148 TIMING: 4678400 CPU: 14867.8, 0.0031775/step Wall: 14867.8, 0.0031775/step, 0.283856 hours remaining, 239.183594 MB of memory in use. ENERGY: 4678400 3947.9600 20676.6687 14516.6617 261.9300 -204029.2469 3103.2279 0.0000 0.0000 52052.3292 -109470.4694 299.1455 -161522.7986 -109106.5246 299.4126 60.9460 89.9107 761125.1655 -19.8169 -19.8558 PRESSURE: 4678600 -239.993 -129.839 -4.60681 -129.838 -54.1399 -77.3993 -4.6074 -77.4005 -135.646 GPRESSURE: 4678600 -228.606 -175.95 -24.9926 -99.4655 33.3569 -114.099 35.4851 35.9567 -143.718 PRESSAVG: 4678600 53.8624 -39.3125 -21.184 -39.3124 -63.2129 10.3896 -21.184 10.3896 3.7027 GPRESSAVG: 4678600 53.5424 -41.618 -20.5831 -38.3766 -63.2513 10.8155 -21.068 9.39888 4.32032 TIMING: 4678600 CPU: 14868.4, 0.00316236/step Wall: 14868.4, 0.00316236/step, 0.282328 hours remaining, 239.183594 MB of memory in use. ENERGY: 4678600 4043.2369 20591.3659 14505.7259 243.3030 -203440.5776 2538.9489 0.0000 0.0000 52176.7994 -109341.1975 299.8608 -161517.9969 -108986.9100 299.5044 -143.2596 -112.9889 762324.1695 -1.8826 -1.7962 PRESSURE: 4678800 -38.4467 217.153 -87.1143 217.154 271.992 -180.891 -87.1137 -180.891 66.0979 GPRESSURE: 4678800 42.962 107.411 -75.2433 161.97 205.019 -73.6271 -111.427 -84.6131 147.253 PRESSAVG: 4678800 49.7159 13.4847 -13.104 13.4847 -41.3371 -8.9021 -13.104 -8.90209 -3.03311 GPRESSAVG: 4678800 48.7489 15.5773 -11.0704 11.8439 -40.6555 -10.191 -13.6827 -9.49697 -2.66504 TIMING: 4678800 CPU: 14869.1, 0.00316385/step Wall: 14869.1, 0.00316385/step, 0.282286 hours remaining, 239.183594 MB of memory in use. ENERGY: 4678800 3989.8676 20578.8945 14478.0612 241.5673 -203746.2476 2889.0109 0.0000 0.0000 51867.5357 -109701.3104 298.0834 -161568.8461 -109332.3124 299.2001 99.8809 131.7448 760339.5757 1.7819 1.8094 PRESSURE: 4679000 -344.712 132.211 12.3085 132.21 -26.4013 -27.6565 12.3083 -27.6557 113.78 GPRESSURE: 4679000 -228.844 115.772 70.9001 83.8532 -32.5616 12.2756 -33.5311 25.8626 101.459 PRESSAVG: 4679000 -17.0532 4.46131 -55.1129 4.46134 13.2886 -5.43329 -55.1129 -5.43333 26.5571 GPRESSAVG: 4679000 -15.8246 5.50035 -54.9898 5.43905 13.7496 -5.44856 -54.5914 -2.98204 25.5452 TIMING: 4679000 CPU: 14869.7, 0.0031679/step Wall: 14869.7, 0.0031679/step, 0.282471 hours remaining, 239.183594 MB of memory in use. ENERGY: 4679000 3985.9150 20751.6119 14525.0423 238.3835 -203491.2602 2503.4298 0.0000 0.0000 52049.9580 -109436.9196 299.1318 -161486.8776 -109078.6314 299.4429 -85.7778 -53.3156 761427.6642 7.5975 7.8234 PRESSURE: 4679200 -220.87 -42.8106 186.213 -42.8113 111.595 -47.5424 186.212 -47.5417 -363.842 GPRESSURE: 4679200 -257.87 -58.3155 47.9258 -108.725 162.316 -44.9317 240.355 77.6847 -316.159 PRESSAVG: 4679200 -6.64118 -3.62401 -17.1672 -3.62412 24.5924 -31.7691 -17.1673 -31.7692 -24.2201 GPRESSAVG: 4679200 -5.83454 -6.61869 -19.1978 -2.53226 23.0584 -30.2725 -16.7502 -33.6981 -23.4792 TIMING: 4679200 CPU: 14870.3, 0.00314685/step Wall: 14870.3, 0.00314685/step, 0.280419 hours remaining, 239.183594 MB of memory in use. ENERGY: 4679200 4023.3376 20763.8928 14485.1864 236.8451 -203336.1077 2347.1349 0.0000 0.0000 52088.6438 -109391.0671 299.3542 -161479.7109 -109038.9404 299.9204 -157.7058 -137.2376 762580.6313 -2.0896 -2.0851 PRESSURE: 4679400 57.8049 -135.662 27.864 -135.663 493.927 -84.12 27.8649 -84.1207 -17.3816 GPRESSURE: 4679400 113.843 7.32413 37.5482 -171.078 525.877 -13.6083 -45.8135 -2.17423 -33.0835 PRESSAVG: 4679400 -27.125 -34.5182 -18.7512 -34.5182 -10.9121 -15.662 -18.7511 -15.662 8.57001 GPRESSAVG: 4679400 -26.7624 -32.1985 -17.0942 -35.1964 -10.9431 -15.8542 -19.9308 -16.6614 8.67965 TIMING: 4679400 CPU: 14871, 0.00316022/step Wall: 14871, 0.00316022/step, 0.281435 hours remaining, 239.183594 MB of memory in use. ENERGY: 4679400 4022.2987 20489.1550 14517.2657 254.6648 -203868.4823 2697.3079 0.0000 0.0000 52385.8298 -109501.9605 301.0621 -161887.7903 -109131.8839 299.1790 178.1168 202.2123 760442.1537 -9.8224 -9.6753 PRESSURE: 4679600 -206.99 24.7176 52.8731 24.718 241.57 -92.0176 52.873 -92.0181 314.187 GPRESSURE: 4679600 -165.974 101.95 137.166 -54.3683 261.278 -107.953 -56.6903 -39.2956 325.879 PRESSAVG: 4679600 -11.8508 6.36116 25.3934 6.36114 24.3012 27.2039 25.3934 27.2038 -14.9744 GPRESSAVG: 4679600 -12.0941 5.17308 24.7106 6.26111 24.0254 24.5464 26.7632 29.3879 -14.2607 TIMING: 4679600 CPU: 14871.6, 0.00315696/step Wall: 14871.6, 0.00315696/step, 0.28097 hours remaining, 239.183594 MB of memory in use. ENERGY: 4679600 3980.1968 20560.5108 14469.6855 236.5453 -202987.4322 2363.1379 0.0000 0.0000 52160.9190 -109216.4369 299.7695 -161377.3559 -108851.3660 299.6812 116.2558 140.3945 760805.1108 -0.8413 -0.7765 PRESSURE: 4679800 99.9318 15.4781 -158.143 15.477 78.3804 -11.2541 -158.142 -11.2549 79.7334 GPRESSURE: 4679800 164.386 41.8597 -152.433 45.3144 188.967 17.9852 -121.57 -32.4477 -8.13501 PRESSAVG: 4679800 22.0396 -6.96748 13.492 -6.96755 14.6453 -15.113 13.4919 -15.1129 8.8915 GPRESSAVG: 4679800 22.2086 -7.38052 12.3635 -7.26751 15.4917 -13.7066 13.5455 -16.6484 8.33639 TIMING: 4679800 CPU: 14872.2, 0.00316431/step Wall: 14872.2, 0.00316431/step, 0.281448 hours remaining, 239.183594 MB of memory in use. ENERGY: 4679800 3865.8410 20522.9134 14458.5025 255.4092 -203173.5514 2489.5102 0.0000 0.0000 52203.9086 -109377.4665 300.0166 -161581.3751 -109008.0258 299.9883 86.0152 115.0727 759638.0783 15.1921 15.3456 PRESSURE: 4680000 26.9974 318.391 -70.5468 318.391 46.3413 -43.4998 -70.5456 -43.4992 191.874 GPRESSURE: 4680000 56.9757 383.356 43.0993 314.005 106.294 -32.4963 -59.9349 -20.269 193.627 PRESSAVG: 4680000 7.56868 5.75539 7.2467 5.75543 -5.53313 18.9228 7.24669 18.9229 -5.77481 GPRESSAVG: 4680000 6.80583 4.79371 7.50686 6.38886 -5.68727 19.6013 5.67359 19.1982 -5.29878 TIMING: 4680000 CPU: 14872.9, 0.00315295/step Wall: 14872.9, 0.00315295/step, 0.280262 hours remaining, 239.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4680000 3939.0685 20610.9621 14514.3917 228.9416 -202870.0620 2169.3830 0.0000 0.0000 51948.7219 -109458.5933 298.5500 -161407.3151 -109093.8898 299.0465 88.4043 118.9655 760496.5732 -1.2464 -1.3934 PRESSURE: 4680200 -137.508 -11.9762 -137.706 -11.9764 -16.0695 121.282 -137.705 121.282 363.796 GPRESSURE: 4680200 -55.3818 -112.473 -88.0552 36.4017 -10.9016 182.571 -75.2038 107.976 355.632 PRESSAVG: 4680200 53.734 -7.72919 -28.7312 -7.72916 -28.382 19.8211 -28.7312 19.8212 -8.29885 GPRESSAVG: 4680200 53.3942 -9.86705 -27.6188 -7.13156 -28.4753 18.341 -27.1476 20.7503 -8.33969 TIMING: 4680200 CPU: 14873.5, 0.00315815/step Wall: 14873.5, 0.00315815/step, 0.280549 hours remaining, 239.183594 MB of memory in use. ENERGY: 4680200 4021.9977 20485.7720 14471.8912 249.6823 -203580.0442 2624.7630 0.0000 0.0000 52274.0568 -109451.8811 300.4197 -161725.9380 -109083.5620 299.5920 70.0728 96.4494 760181.6885 5.6844 5.5264 LDB: ============= START OF LOAD BALANCING ============== 14885.9 LDB: ============== END OF LOAD BALANCING =============== 14885.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14885.9 LDB: ============= START OF LOAD BALANCING ============== 14886.2 LDB: Largest compute 7075 load 0.037343 is 19.0% of average load 0.196027 LDB: Average compute 0.004400 is 2.2% of average load 0.196027 LDB: TIME 14886.2 LOAD: AVG 0.196027 MAX 0.217044 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.27 MB LDB: TIME 14886.2 LOAD: AVG 0.196027 MAX 0.217044 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.27 MB LDB: TIME 14886.2 LOAD: AVG 0.196027 MAX 0.217044 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.27 MB LDB: ============== END OF LOAD BALANCING =============== 14886.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14886.2 PRESSURE: 4680400 11.2072 -123.889 -131.804 -123.889 201.001 -303.974 -131.804 -303.973 -76.9568 GPRESSURE: 4680400 120.565 -9.46213 -145.188 -108.983 146.904 -254.566 -102.326 -261.68 -44.1103 PRESSAVG: 4680400 -20.0541 -29.018 -12.2863 -29.0179 -38.7938 -34.7947 -12.2863 -34.7947 2.99284 GPRESSAVG: 4680400 -20.2569 -25.0734 -13.7328 -30.0104 -39.0752 -32.3045 -11.8238 -36.7644 3.35926 TIMING: 4680400 CPU: 14874.2, 0.00325494/step Wall: 14874.2, 0.00325494/step, 0.288966 hours remaining, 237.957031 MB of memory in use. ENERGY: 4680400 4008.5860 20571.0137 14447.9263 258.0756 -203760.1920 2550.1054 0.0000 0.0000 52471.3281 -109453.1570 301.5534 -161924.4851 -109083.2538 299.5371 45.0838 74.4528 760138.8169 -18.6184 -18.6576 PRESSURE: 4680600 329.079 -247.043 -32.8498 -247.043 178.911 -208.784 -32.8496 -208.783 -49.3617 GPRESSURE: 4680600 344.391 -376.106 -41.4244 -271.407 237.498 -186.716 -27.9292 -195.504 -45.1682 PRESSAVG: 4680600 -48.9482 -48.4011 -20.1641 -48.4012 24.1779 10.7045 -20.1641 10.7045 33.2569 GPRESSAVG: 4680600 -48.1253 -50.2659 -17.4392 -48.3353 23.7901 8.17002 -23.6444 11.4051 32.92 TIMING: 4680600 CPU: 14874.8, 0.00319747/step Wall: 14874.8, 0.00319747/step, 0.283686 hours remaining, 237.957031 MB of memory in use. ENERGY: 4680600 4020.4439 20466.1276 14555.5596 266.5184 -203744.3570 2696.4590 0.0000 0.0000 52318.2382 -109421.0102 300.6736 -161739.2485 -109044.9788 299.6393 152.8760 178.9070 759643.8345 2.8289 2.8616 PRESSURE: 4680800 -109.986 41.0546 125.402 41.0537 -100.494 167.599 125.401 167.597 -355.023 GPRESSURE: 4680800 -25.9711 43.1493 96.4643 68.7439 -122.696 274.746 149.119 73.3829 -331.154 PRESSAVG: 4680800 -2.71605 -28.2511 -37.9127 -28.2512 -23.2387 40.2791 -37.9127 40.2791 7.02026 GPRESSAVG: 4680800 -2.97724 -27.5429 -39.7011 -27.0409 -22.2546 40.9498 -35.3574 39.6485 6.08744 TIMING: 4680800 CPU: 14875.4, 0.00319277/step Wall: 14875.4, 0.00319277/step, 0.283093 hours remaining, 237.957031 MB of memory in use. ENERGY: 4680800 4001.1542 20731.0121 14562.4810 229.8911 -203027.8404 2202.6071 0.0000 0.0000 51802.5395 -109498.1553 297.7099 -161300.6948 -109143.4377 299.7257 -188.5010 -159.9403 760895.3483 -6.3115 -6.3815 PRESSURE: 4681000 -219.656 -115.222 129.935 -115.222 -666.472 175.732 129.934 175.732 -73.9111 GPRESSURE: 4681000 -279.289 -36.3297 98.2937 -154.208 -489.611 238.462 104.43 -69.4992 -105.93 PRESSAVG: 4681000 -4.78438 35.8976 3.6314 35.8977 -18.1838 -23.1908 3.63148 -23.1908 3.42894 GPRESSAVG: 4681000 -3.98495 36.6421 2.5095 35.4561 -17.9711 -23.287 5.59789 -21.4558 3.10185 TIMING: 4681000 CPU: 14876.1, 0.00318925/step Wall: 14876.1, 0.00318925/step, 0.282603 hours remaining, 237.957031 MB of memory in use. ENERGY: 4681000 3960.2991 20424.6158 14548.8671 243.5842 -203004.2467 2152.8065 0.0000 0.0000 52197.9558 -109476.1182 299.9824 -161674.0740 -109111.8110 299.9542 -320.0128 -291.6096 760773.6792 -6.5131 -6.2847 PRESSURE: 4681200 -280.67 134.988 37.3267 134.987 -376.186 -247.772 37.3262 -247.773 -171.513 GPRESSURE: 4681200 -259.86 62.6185 102.064 113.251 -316.738 -201.001 33.8514 -268.773 -180.094 PRESSAVG: 4681200 -0.247563 35.9472 -2.73332 35.9472 4.81752 -18.4135 -2.73326 -18.4135 27.3986 GPRESSAVG: 4681200 -1.15455 36.6696 -3.17128 34.9158 4.43341 -18.0034 -2.21898 -19.0993 28.7805 TIMING: 4681200 CPU: 14876.7, 0.00318865/step Wall: 14876.7, 0.00318865/step, 0.282373 hours remaining, 237.957031 MB of memory in use. ENERGY: 4681200 3933.9005 20565.7119 14510.7960 257.1922 -202837.1488 2037.9930 0.0000 0.0000 52245.1290 -109286.4262 300.2535 -161531.5552 -108922.8960 300.1243 -276.1233 -252.2306 760039.4877 10.6562 10.6865 PRESSURE: 4681400 228.873 147.982 -86.0033 147.983 27.4845 240.582 -86.0038 240.582 37.204 GPRESSURE: 4681400 233.252 239.711 -15.9274 66.1457 79.6568 227.028 -108.076 179.29 75.941 PRESSAVG: 4681400 6.31794 -15.8791 -19.3011 -15.8791 -28.529 -5.30615 -19.3011 -5.3061 14.9644 GPRESSAVG: 4681400 6.77103 -16.6164 -17.363 -16.6601 -28.4484 -3.14004 -19.6749 -5.66813 14.2149 TIMING: 4681400 CPU: 14877.3, 0.00317394/step Wall: 14877.3, 0.00317394/step, 0.280893 hours remaining, 237.957031 MB of memory in use. ENERGY: 4681400 3951.5953 20540.2584 14572.4552 260.9874 -203259.8078 2497.3505 0.0000 0.0000 52038.3302 -109398.8309 299.0650 -161437.1612 -109037.8217 299.9449 97.8538 129.6166 760630.3356 -2.4156 -2.4875 PRESSURE: 4681600 -71.9429 26.0888 188.14 26.0873 33.2305 1.99251 188.139 1.99329 166.583 GPRESSURE: 4681600 57.9353 88.0901 121.467 32.2943 -101.442 -54.7128 201.165 -23.5806 273.556 PRESSAVG: 4681600 66.8031 31.8438 7.61214 31.8439 -29.8638 -34.8368 7.61212 -34.8368 9.74447 GPRESSAVG: 4681600 68.11 34.327 5.79483 32.8692 -30.5756 -37.2023 5.94462 -34.5494 9.28793 TIMING: 4681600 CPU: 14878, 0.00316413/step Wall: 14878, 0.00316413/step, 0.27985 hours remaining, 237.957031 MB of memory in use. ENERGY: 4681600 3926.0948 20520.8784 14472.3516 246.1805 -203172.1590 2489.7210 0.0000 0.0000 52117.5754 -109399.3573 299.5204 -161516.9326 -109032.2816 299.4534 42.6236 76.6832 759961.8609 15.5613 15.6074 PRESSURE: 4681800 193.054 57.3746 14.9375 57.3744 -197.318 92.4862 14.9381 92.4858 -302.493 GPRESSURE: 4681800 164.754 69.532 29.6997 -6.93602 -185.573 119.56 -4.78358 109.463 -213.387 PRESSAVG: 4681800 67.649 -8.04335 -7.4808 -8.04336 -72.9822 -5.66716 -7.48076 -5.6672 -25.295 GPRESSAVG: 4681800 66.7105 -11.5645 -6.79215 -5.87802 -73.042 -5.33708 -6.7989 -4.52187 -24.4786 TIMING: 4681800 CPU: 14878.6, 0.00319476/step Wall: 14878.6, 0.00319476/step, 0.282381 hours remaining, 237.957031 MB of memory in use. ENERGY: 4681800 4076.3200 20636.7423 14468.4906 230.1727 -203322.0634 2510.6491 0.0000 0.0000 52013.1489 -109386.5398 298.9203 -161399.6888 -109033.5745 299.7028 -102.2523 -78.0688 760302.4561 -10.2094 -10.2701 PRESSURE: 4682000 -390.831 -68.5758 21.2756 -68.5751 -91.3224 -7.98386 21.2751 -7.98416 88.9579 GPRESSURE: 4682000 -321.659 -140.649 44.7851 -179.317 -76.8608 10.0916 50.8542 -160.262 92.1501 PRESSAVG: 4682000 -20.1194 -38.8274 -22.889 -38.8275 3.38708 -36.1934 -22.8891 -36.1934 4.63919 GPRESSAVG: 4682000 -18.5502 -33.9875 -21.9771 -42.0161 3.06499 -34.8397 -21.3846 -37.5501 2.96105 TIMING: 4682000 CPU: 14879.3, 0.00318235/step Wall: 14879.3, 0.00318235/step, 0.281108 hours remaining, 237.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4682000 3997.9964 20733.4852 14419.3282 249.2563 -202929.7151 2242.3959 0.0000 0.0000 51871.3234 -109415.9298 298.1052 -161287.2532 -109051.8483 299.7040 -131.0653 -102.1234 761576.5488 -4.0310 -4.1747 PRESSURE: 4682200 -47.2074 6.64503 59.0611 6.64539 -223.119 334.125 59.0607 334.125 -43.9115 GPRESSURE: 4682200 -5.25748 20.953 49.2076 149.701 -194.657 388.329 -119.931 354.808 -55.1855 PRESSAVG: 4682200 3.65255 -78.928 -6.04931 -78.928 47.5111 21.8515 -6.04929 21.8514 7.58774 GPRESSAVG: 4682200 3.55688 -83.0163 -7.40301 -76.5346 46.544 19.8312 -8.24232 21.2957 8.20666 TIMING: 4682200 CPU: 14879.9, 0.00318626/step Wall: 14879.9, 0.00318626/step, 0.281276 hours remaining, 237.957031 MB of memory in use. ENERGY: 4682200 3959.6132 20492.0130 14442.0947 247.1933 -203320.5564 2527.9668 0.0000 0.0000 52124.2038 -109527.4716 299.5585 -161651.6754 -109158.8560 299.3640 -104.7460 -85.0334 761189.9562 19.5838 19.4358 PRESSURE: 4682400 -67.8309 -110.309 -94.5831 -110.308 -55.6206 -20.9813 -94.5843 -20.9817 -297.167 GPRESSURE: 4682400 -51.3867 -131.228 -114.226 -7.80543 -52.1202 -4.00687 -13.2583 -69.3836 -210.581 PRESSAVG: 4682400 68.5804 -58.9892 -17.1471 -58.9892 -53.225 -9.07326 -17.1472 -9.07327 -12.3129 GPRESSAVG: 4682400 67.8367 -57.6252 -15.7375 -59.2798 -51.6936 -8.74314 -17.5647 -7.87973 -11.8108 TIMING: 4682400 CPU: 14880.5, 0.00320452/step Wall: 14880.5, 0.00320452/step, 0.28271 hours remaining, 237.957031 MB of memory in use. ENERGY: 4682400 3956.2647 20384.2439 14434.2282 225.6525 -203241.5026 2482.9155 0.0000 0.0000 52100.0639 -109658.1339 299.4198 -161758.1978 -109299.1339 298.7614 -140.2061 -104.6961 760644.5216 1.0142 1.4441 PRESSURE: 4682600 34.7091 113.436 -101.518 113.435 18.2145 -214.262 -101.517 -214.261 -65.6258 GPRESSURE: 4682600 65.6275 32.5611 -206.62 71.1966 89.4103 -280.53 18.9276 -150.644 -69.283 PRESSAVG: 4682600 39.4037 12.1637 -28.115 12.1637 -42.6589 -54.3576 -28.115 -54.3574 -5.76594 GPRESSAVG: 4682600 40.6983 12.0109 -28.4479 11.9861 -43.0127 -52.9979 -27.3703 -53.7561 -7.40898 TIMING: 4682600 CPU: 14881.2, 0.00318109/step Wall: 14881.2, 0.00318109/step, 0.280466 hours remaining, 237.957031 MB of memory in use. ENERGY: 4682600 3936.5144 20414.8218 14426.8701 250.9002 -203102.0319 2455.3680 0.0000 0.0000 52026.3771 -109591.1803 298.9963 -161617.5574 -109237.2488 299.0959 -4.2341 28.5849 760834.5928 -3.0070 -3.2411 PRESSURE: 4682800 -461.289 8.66104 57.3578 8.66017 -303.691 49.1166 57.3579 49.1157 84.4775 GPRESSURE: 4682800 -288.257 -142.136 37.2578 -50.8529 -406.242 46.5088 56.5193 106.156 118.16 PRESSAVG: 4682800 32.4821 -36.5665 -33.2293 -36.5665 -34.9252 -47.7481 -33.2293 -47.7481 -12.4307 GPRESSAVG: 4682800 30.3769 -37.2888 -32.6168 -37.501 -34.1646 -46.2925 -35.1963 -49.4519 -11.3003 TIMING: 4682800 CPU: 14881.8, 0.00318981/step Wall: 14881.8, 0.00318981/step, 0.281058 hours remaining, 237.957031 MB of memory in use. ENERGY: 4682800 4043.5152 20510.5393 14487.5234 257.3312 -202807.0838 2043.2996 0.0000 0.0000 51741.1743 -109723.7008 297.3572 -161464.8751 -109361.9682 298.7028 -226.8342 -192.1129 761009.1014 -4.9579 -5.0294 PRESSURE: 4683000 24.6642 20.5082 -187.618 20.5082 117.343 73.4743 -187.619 73.4732 191.061 GPRESSURE: 4683000 129.922 -88.4984 -244.913 -69.7434 108.757 44.4359 -76.5284 134.884 190.582 PRESSAVG: 4683000 33.1331 -10.7982 -43.4576 -10.7982 -8.59391 35.8455 -43.4577 35.8455 24.5741 GPRESSAVG: 4683000 35.4767 -12.7726 -45.0365 -9.54572 -10.4354 34.359 -40.5243 37.9874 24.5022 TIMING: 4683000 CPU: 14882.4, 0.00321083/step Wall: 14882.4, 0.00321083/step, 0.282731 hours remaining, 237.957031 MB of memory in use. ENERGY: 4683000 3958.4872 20267.7612 14452.1887 246.0653 -203831.0716 3082.1031 0.0000 0.0000 52118.4188 -109706.0473 299.5253 -161824.4662 -109347.6868 298.1206 111.0228 143.0872 761369.1257 16.3711 16.5145 PRESSURE: 4683200 -322.506 35.3826 101.258 35.382 173.676 -1.75895 101.257 -1.75981 157.939 GPRESSURE: 4683200 -232.582 74.44 93.5797 9.7603 200.751 20.8289 95.3676 15.9069 119.178 PRESSAVG: 4683200 -1.11261 -36.857 9.73755 -36.857 -11.6851 -46.9634 9.73762 -46.9634 1.62736 GPRESSAVG: 4683200 -1.38326 -35.5037 10.0541 -37.7947 -12.0755 -50.1933 8.70717 -45.6194 2.00304 TIMING: 4683200 CPU: 14883.1, 0.00320557/step Wall: 14883.1, 0.00320557/step, 0.28209 hours remaining, 237.957031 MB of memory in use. ENERGY: 4683200 3965.8771 20273.9635 14496.5070 242.6605 -203503.3908 2595.1201 0.0000 0.0000 51965.7720 -109963.4906 298.6480 -161929.2626 -109595.6663 297.7472 3.0365 29.1159 760573.1183 -3.7235 -3.8186 PRESSURE: 4683400 -205.451 22.0251 -86.5342 22.0256 122.35 51.5909 -86.5348 51.5925 -393.02 GPRESSURE: 4683400 -122.307 -36.5923 -57.122 98.6969 75.7484 72.6028 -181.776 138.543 -349.003 PRESSAVG: 4683400 28.7273 -66.6517 -13.5998 -66.6517 -2.934 24.4271 -13.5998 24.4271 11.6198 GPRESSAVG: 4683400 27.1696 -66.6719 -12.0832 -65.2434 -2.06704 25.8715 -13.3781 22.3322 12.1245 TIMING: 4683400 CPU: 14883.7, 0.00319609/step Wall: 14883.7, 0.00319609/step, 0.281079 hours remaining, 237.957031 MB of memory in use. ENERGY: 4683400 4012.5301 20587.9451 14484.3407 249.1505 -203391.9852 2521.7550 0.0000 0.0000 51596.9963 -109939.2675 296.5286 -161536.2638 -109581.8593 297.4079 -158.7070 -131.8538 760222.8976 12.4710 12.4090 PRESSURE: 4683600 34.205 66.9942 -128.637 66.9946 137.476 -169.638 -128.636 -169.639 -460.135 GPRESSURE: 4683600 -30.4859 83.7751 -232.076 -28.566 272.697 -103.995 -125.483 -253.43 -442.336 PRESSAVG: 4683600 60.1536 -32.745 30.2648 -32.745 -72.3959 -50.1799 30.2648 -50.1799 -1.71753 GPRESSAVG: 4683600 60.4927 -31.6608 29.642 -32.486 -72.6582 -51.1896 30.1265 -48.3706 -1.8981 TIMING: 4683600 CPU: 14884.4, 0.00319451/step Wall: 14884.4, 0.00319451/step, 0.280762 hours remaining, 237.957031 MB of memory in use. ENERGY: 4683600 4003.5831 20360.9145 14461.3386 239.4681 -203405.3711 2555.1387 0.0000 0.0000 51794.6176 -109990.3104 297.6644 -161784.9280 -109628.7128 297.4641 -96.1515 -66.7083 761133.6582 -4.6533 -4.6879 PRESSURE: 4683800 -12.9719 67.9227 -70.3188 67.9227 511.195 1.10804 -70.3178 1.10739 -89.4655 GPRESSURE: 4683800 99.8692 89.5801 -55.058 87.9987 492.569 44.1684 -181.975 -108.774 -91.7346 PRESSAVG: 4683800 41.1964 2.83106 -31.2305 2.83106 -11.5921 -40.2881 -31.2304 -40.2882 5.01913 GPRESSAVG: 4683800 40.7119 1.81367 -31.8139 0.853226 -11.0914 -38.8682 -32.4444 -41.1327 4.86774 TIMING: 4683800 CPU: 14885, 0.00317561/step Wall: 14885, 0.00317561/step, 0.278925 hours remaining, 237.957031 MB of memory in use. ENERGY: 4683800 3935.5612 20468.4132 14507.1302 247.9457 -203390.9985 2626.2484 0.0000 0.0000 51705.3436 -109900.3562 297.1513 -161605.6998 -109542.3583 297.6269 136.2526 166.9011 761682.1018 11.5411 11.4961 PRESSURE: 4684000 122.858 260.965 95.1876 260.965 281.393 -109.372 95.1882 -109.371 171.751 GPRESSURE: 4684000 126.948 242.981 67.5986 230.183 365.47 -158.469 175.798 -111.904 152.835 PRESSAVG: 4684000 1.43634 67.799 -6.39518 67.799 -8.1518 42.3691 -6.39517 42.3691 -24.0976 GPRESSAVG: 4684000 2.51719 67.5766 -5.04025 67.6907 -8.77736 44.0957 -3.82621 39.0404 -25.0381 TIMING: 4684000 CPU: 14885.6, 0.00316732/step Wall: 14885.6, 0.00316732/step, 0.27802 hours remaining, 237.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4684000 3941.5685 20382.0701 14443.6180 247.2822 -203568.5517 2650.1390 0.0000 0.0000 51927.0597 -109976.8143 298.4255 -161903.8739 -109616.7264 297.8305 192.0005 215.0846 760377.3302 -10.2710 -10.4328 PRESSURE: 4684200 352.871 76.3038 -142.68 76.3044 -9.98102 -137.977 -142.679 -137.978 623.419 GPRESSURE: 4684200 327.935 64.3679 -182.795 54.7981 74.5401 -101.438 -141.999 -207.99 631.406 PRESSAVG: 4684200 -60.1131 67.1126 -46.9561 67.1126 26.8985 -65.032 -46.9561 -65.0321 0.288726 GPRESSAVG: 4684200 -60.405 67.5716 -47.6878 66.8981 25.6209 -67.2412 -46.314 -61.4561 0.964531 TIMING: 4684200 CPU: 14886.3, 0.00318987/step Wall: 14886.3, 0.00318987/step, 0.279822 hours remaining, 237.957031 MB of memory in use. ENERGY: 4684200 3884.6753 20487.3604 14484.6454 239.3680 -203619.9216 2662.1905 0.0000 0.0000 51851.8309 -110009.8510 297.9932 -161861.6820 -109641.7632 297.9885 322.1029 344.6270 759242.3999 -10.9753 -11.2732 LDB: ============= START OF LOAD BALANCING ============== 14898.7 LDB: ============== END OF LOAD BALANCING =============== 14898.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14898.7 LDB: ============= START OF LOAD BALANCING ============== 14899 LDB: Largest compute 7075 load 0.036719 is 18.7% of average load 0.196022 LDB: Average compute 0.004412 is 2.3% of average load 0.196022 LDB: TIME 14899 LOAD: AVG 0.196022 MAX 0.218468 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.227 MB LDB: TIME 14899 LOAD: AVG 0.196022 MAX 0.218468 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.43 MB LDB: TIME 14899 LOAD: AVG 0.196022 MAX 0.218468 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.43 MB LDB: ============== END OF LOAD BALANCING =============== 14899 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14899 PRESSURE: 4684400 32.9638 18.6778 -89.5922 18.6772 -295.106 -86.5292 -89.5923 -86.5287 140.883 GPRESSURE: 4684400 48.6975 -93.5116 -20.2912 21.4193 -207.491 -146.965 -149.461 -1.19521 131.489 PRESSAVG: 4684400 -25.8914 30.9968 -26.5064 30.9967 33.3834 -44.3039 -26.5064 -44.304 -17.0851 GPRESSAVG: 4684400 -25.2571 31.3619 -23.9734 29.2327 32.8778 -41.305 -27.8496 -46.8071 -16.4963 TIMING: 4684400 CPU: 14886.9, 0.0032556/step Wall: 14886.9, 0.0032556/step, 0.285407 hours remaining, 238.406250 MB of memory in use. ENERGY: 4684400 3992.8240 20370.8445 14468.3995 234.8531 -203477.7086 2536.1164 0.0000 0.0000 52231.1411 -109643.5299 300.1731 -161874.6711 -109283.7624 298.3385 -40.4198 -9.1017 761527.6470 -3.1977 -2.9585 PRESSURE: 4684600 -268.191 -187.726 134.717 -187.726 -42.372 56.6915 134.716 56.6913 9.39484 GPRESSURE: 4684600 -306.521 -165.84 100.059 -54.4816 77.5053 8.66509 126.179 63.0212 21.1506 PRESSAVG: 4684600 14.0614 17.529 13.5091 17.5289 -12.8548 23.324 13.509 23.3241 1.72663 GPRESSAVG: 4684600 12.728 18.0849 12.723 19.1782 -10.4613 21.6535 11.855 24.2355 0.786758 TIMING: 4684600 CPU: 14887.6, 0.00320631/step Wall: 14887.6, 0.00320631/step, 0.280909 hours remaining, 238.406250 MB of memory in use. ENERGY: 4684600 3908.6945 20508.7556 14445.2868 234.4436 -203347.4107 2313.9417 0.0000 0.0000 52070.6801 -109865.6085 299.2509 -161936.2886 -109500.4695 298.7856 -100.3895 -69.2883 761301.7739 0.9777 1.0178 PRESSURE: 4684800 460.929 -88.6644 -222.442 -88.6644 168.075 50.7341 -222.442 50.7326 202.026 GPRESSURE: 4684800 476.486 -130.411 -264.679 -116.9 186.099 101.641 -145.092 75.0493 230.566 PRESSAVG: 4684800 12.9485 40.296 -11.905 40.296 -24.1988 -9.90228 -11.905 -9.90232 6.84599 GPRESSAVG: 4684800 13.7595 40.4196 -13.7071 40.8412 -24.7882 -9.15049 -10.3818 -10.5154 6.6719 TIMING: 4684800 CPU: 14888.2, 0.00319483/step Wall: 14888.2, 0.00319483/step, 0.279725 hours remaining, 238.406250 MB of memory in use. ENERGY: 4684800 3886.7108 20398.9805 14470.6748 233.7811 -203455.6385 2710.4636 0.0000 0.0000 52103.9331 -109651.0946 299.4420 -161755.0277 -109281.6658 298.8414 277.0100 297.7170 761523.4528 -1.4681 -1.4523 PRESSURE: 4685000 -521.568 -69.704 -312.975 -69.7039 -79.9838 56.3573 -312.975 56.3568 154.968 GPRESSURE: 4685000 -425.092 -99.106 -297.75 28.0209 -45.644 41.2316 -179.154 80.6133 110.73 PRESSAVG: 4685000 3.68463 -52.4091 23.395 -52.4091 -8.0665 47.7401 23.395 47.7401 8.97187 GPRESSAVG: 4685000 3.25556 -53.8703 25.8081 -52.9185 -8.22526 45.9665 23.7465 48.8367 9.37274 TIMING: 4685000 CPU: 14888.8, 0.00319743/step Wall: 14888.8, 0.00319743/step, 0.279775 hours remaining, 238.406250 MB of memory in use. ENERGY: 4685000 3976.2518 20494.1332 14469.1495 236.7284 -203139.5110 2525.4343 0.0000 0.0000 51818.1862 -109619.6276 297.7998 -161437.8138 -109254.7191 298.7475 -148.8613 -120.0021 764279.5807 1.5300 1.4677 PRESSURE: 4685200 -348.036 66.317 71.4443 66.3171 -23.813 -152.973 71.4444 -152.972 196.078 GPRESSURE: 4685200 -177.435 -32.5087 -27.3525 124.068 -124.447 -182.331 177.462 -116.629 191.203 PRESSAVG: 4685200 12.0602 -35.6881 -26.0079 -35.6881 -23.4495 28.071 -26.0078 28.071 9.42728 GPRESSAVG: 4685200 12.3276 -33.1112 -27.1259 -36.43 -23.5726 28.7567 -28.2729 28.064 8.59559 TIMING: 4685200 CPU: 14889.5, 0.00317257/step Wall: 14889.5, 0.00317257/step, 0.277424 hours remaining, 238.406250 MB of memory in use. ENERGY: 4685200 3930.6596 20479.4618 14456.0113 271.0067 -202984.6269 2286.3555 0.0000 0.0000 51982.7574 -109578.3746 298.7456 -161561.1320 -109221.2287 298.6318 -58.5905 -36.8928 761077.7402 -0.6540 -0.8831 PRESSURE: 4685400 -243.065 271.362 332.946 271.362 -489.749 -187.736 332.946 -187.737 -415.686 GPRESSURE: 4685400 -201.452 186.518 322.484 306.772 -425.641 -123.33 276.646 -217.95 -423.74 PRESSAVG: 4685400 28.7556 3.0244 15.9629 3.0244 -22.5981 -53.6973 15.963 -53.6973 6.68149 GPRESSAVG: 4685400 29.0269 1.73602 15.429 3.87874 -23.5468 -52.4231 17.9226 -53.5322 7.2538 TIMING: 4685400 CPU: 14890.1, 0.00315832/step Wall: 14890.1, 0.00315832/step, 0.276002 hours remaining, 238.406250 MB of memory in use. ENERGY: 4685400 3914.9565 20763.0029 14431.4138 251.9811 -202813.9845 1979.9381 0.0000 0.0000 52043.2230 -109429.4691 299.0931 -161472.6921 -109072.1109 299.3439 -382.8333 -350.2776 760383.7113 4.2797 4.2446 PRESSURE: 4685600 222.309 -66.3204 -43.4702 -66.3208 -335.701 160.599 -43.4706 160.599 118.454 GPRESSURE: 4685600 178.295 -68.7804 46.9775 -3.60801 -169.048 223.988 -132.075 179.493 84.2301 PRESSAVG: 4685600 31.9324 -11.815 -16.2487 -11.815 -44.397 68.8755 -16.2488 68.8755 8.09969 GPRESSAVG: 4685600 32.0065 -12.0905 -15.2078 -10.9499 -43.6707 67.1992 -17.327 68.9278 8.04903 TIMING: 4685600 CPU: 14890.7, 0.00316626/step Wall: 14890.7, 0.00316626/step, 0.27652 hours remaining, 238.406250 MB of memory in use. ENERGY: 4685600 3992.5322 20561.2268 14475.2991 240.4322 -203223.0970 2256.6556 0.0000 0.0000 52080.9258 -109616.0252 299.3098 -161696.9510 -109255.5381 298.9757 1.6874 31.1591 759636.6102 -1.4549 -1.2050 PRESSURE: 4685800 -10.2328 76.4545 -150.86 76.4535 -322.513 -17.4463 -150.859 -17.4455 -613.019 GPRESSURE: 4685800 -12.9297 69.495 -138.888 113.015 -333.114 2.17496 -5.84575 -10.9383 -508.867 PRESSAVG: 4685800 54.1187 -0.312841 34.0502 -0.312843 -32.9451 80.8864 34.0502 80.8864 11.9477 GPRESSAVG: 4685800 53.3303 -1.84973 33.4305 -1.58888 -32.7456 81.4356 34.3867 80.3058 12.084 TIMING: 4685800 CPU: 14891.4, 0.00318364/step Wall: 14891.4, 0.00318364/step, 0.277861 hours remaining, 238.406250 MB of memory in use. ENERGY: 4685800 4011.8273 20341.0365 14544.5115 248.7497 -202652.1422 1993.6987 0.0000 0.0000 52022.4991 -109489.8193 298.9740 -161512.3184 -109115.7450 299.2227 -315.2548 -284.9703 761756.5982 11.0404 10.8896 PRESSURE: 4686000 159.054 -131.566 -93.0696 -131.566 61.2844 -128.207 -93.07 -128.208 -121.798 GPRESSURE: 4686000 234.076 -17.1857 -104.376 -118.708 56.3549 -74.3686 -29.7122 -96.0362 -101.848 PRESSAVG: 4686000 70.1956 -29.5757 27.6996 -29.5757 -32.2261 -8.68537 27.6996 -8.68532 -9.22043 GPRESSAVG: 4686000 70.8754 -28.5953 27.2128 -28.4677 -33.2831 -9.02094 27.7037 -11.1495 -8.89592 TIMING: 4686000 CPU: 14892, 0.00319709/step Wall: 14892, 0.00319708/step, 0.278857 hours remaining, 238.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4686000 3986.3814 20459.5917 14501.0259 238.5486 -203221.6828 2555.3949 0.0000 0.0000 52008.1767 -109472.5637 298.8917 -161480.7404 -109113.1631 298.9537 32.8465 62.8611 760048.9285 9.5830 9.5654 PRESSURE: 4686200 50.2421 240.016 92.7306 240.015 -261.154 58.509 92.7303 58.5092 269.165 GPRESSURE: 4686200 43.1054 173.275 152.014 217.479 -168.18 102.432 83.356 -12.0684 271.59 PRESSAVG: 4686200 29.4202 -32.1083 24.3959 -32.1083 -33.8124 -7.99051 24.3959 -7.99047 3.93442 GPRESSAVG: 4686200 28.8498 -33.9095 26.4934 -33.5308 -32.2657 -7.59144 22.6709 -5.34711 3.26318 TIMING: 4686200 CPU: 14892.7, 0.00318772/step Wall: 14892.7, 0.00318773/step, 0.277863 hours remaining, 238.406250 MB of memory in use. ENERGY: 4686200 4030.9797 20598.9764 14517.7233 248.3715 -202695.3181 2107.1216 0.0000 0.0000 52052.2357 -109139.9098 299.1449 -161192.1455 -108784.9455 299.6122 19.4176 48.8387 759848.2547 -0.1526 -0.0509 PRESSURE: 4686400 398.793 -16.9445 -123.706 -16.9451 -19.7904 -56.8127 -123.707 -56.8137 -104.305 GPRESSURE: 4686400 551.008 -13.0645 -192.107 4.70993 21.2008 -42.5368 -42.9502 -30.6944 -190.166 PRESSAVG: 4686400 33.1792 -32.8403 34.5706 -32.8403 -55.8579 50.2155 34.5706 50.2155 -2.13464 GPRESSAVG: 4686400 34.0841 -31.4804 32.0631 -33.2937 -56.7876 50.1019 36.1992 48.6393 -1.972 TIMING: 4686400 CPU: 14893.3, 0.00315766/step Wall: 14893.3, 0.00315766/step, 0.275067 hours remaining, 238.406250 MB of memory in use. ENERGY: 4686400 3965.2670 20508.9338 14393.4977 254.0247 -203419.7438 2644.9112 0.0000 0.0000 52252.1586 -109400.9508 300.2939 -161653.1094 -109034.9726 299.6585 91.5660 127.3477 760126.2829 -8.2711 -8.2251 PRESSURE: 4686600 -190.625 -105.26 -162.272 -105.26 91.2794 -27.391 -162.272 -27.3918 -229.854 GPRESSURE: 4686600 -150.323 -126.969 -225.461 -78.3311 145.178 -32.8736 -85.6631 16.1741 -233.092 PRESSAVG: 4686600 7.11182 -9.76727 12.1249 -9.76723 -19.4559 17.2775 12.1249 17.2775 -11.7051 GPRESSAVG: 4686600 5.83332 -8.78627 11.368 -10.643 -17.9013 17.2965 12.7888 19.3556 -12.0197 TIMING: 4686600 CPU: 14893.9, 0.0031426/step Wall: 14893.9, 0.0031426/step, 0.27358 hours remaining, 238.406250 MB of memory in use. ENERGY: 4686600 4035.6633 20281.5110 14412.6508 261.0612 -203073.6091 2383.4129 0.0000 0.0000 52164.3298 -109534.9801 299.7891 -161699.3099 -109173.2166 299.1729 -109.7333 -79.4122 760223.2369 -8.0164 -8.0293 PRESSURE: 4686800 -129.238 85.1277 97.6652 85.1284 -94.3133 -37.9678 97.6661 -37.9672 156.876 GPRESSURE: 4686800 -74.7519 17.2913 69.9522 55.5537 -81.3643 60.719 -6.8311 -78.3462 169.8 PRESSAVG: 4686800 -5.18175 -10.8968 41.7144 -10.8968 -4.55462 -8.75484 41.7144 -8.75486 -21.2009 GPRESSAVG: 4686800 -5.74003 -10.1538 41.6471 -9.52565 -5.06366 -8.54116 40.4787 -10.8188 -19.8828 TIMING: 4686800 CPU: 14894.5, 0.00315264/step Wall: 14894.5, 0.00315264/step, 0.27428 hours remaining, 238.406250 MB of memory in use. ENERGY: 4686800 4001.1725 20435.4393 14544.0881 242.3931 -203027.4800 2259.5541 0.0000 0.0000 52045.0386 -109499.7944 299.1036 -161544.8330 -109130.3198 299.4049 -22.2253 4.5614 760506.1768 -10.3124 -10.2288 PRESSURE: 4687000 50.9681 27.7475 -85.4688 27.7479 137.972 -165.404 -85.468 -165.404 582.376 GPRESSURE: 4687000 140.062 58.7549 -11.3275 72.084 129.936 -163.545 -40.1752 -64.1942 571.74 PRESSAVG: 4687000 71.513 45.0749 17.9061 45.0749 -93.9645 34.7897 17.9061 34.7897 6.20865 GPRESSAVG: 4687000 72.0814 44.7177 17.7096 44.4711 -93.9746 34.0811 18.7211 34.7257 5.82587 TIMING: 4687000 CPU: 14895.2, 0.00318215/step Wall: 14895.2, 0.00318215/step, 0.276671 hours remaining, 238.406250 MB of memory in use. ENERGY: 4687000 3927.3985 20666.2562 14430.7809 263.3883 -203605.1900 2756.4446 0.0000 0.0000 51815.8587 -109745.0628 297.7865 -161560.9214 -109386.4457 298.7755 257.1052 280.5791 760617.7257 -5.4143 -5.3558 PRESSURE: 4687200 96.6537 24.8505 275.044 24.8509 54.9435 -121.15 275.044 -121.15 -22.7683 GPRESSURE: 4687200 90.1475 -61.8158 149.754 30.8404 88.9882 -135.321 200.443 31.8779 31.6736 PRESSAVG: 4687200 41.1423 -29.9912 22.1674 -29.9911 -42.3597 -1.99441 22.1674 -1.99442 -10.4333 GPRESSAVG: 4687200 40.8876 -32.9221 22.343 -30.066 -42.404 -2.26646 22.241 -0.490122 -10.5593 TIMING: 4687200 CPU: 14895.8, 0.00316787/step Wall: 14895.8, 0.00316787/step, 0.275252 hours remaining, 238.406250 MB of memory in use. ENERGY: 4687200 3957.7351 20549.8768 14479.2311 239.5755 -203427.5988 2562.4607 0.0000 0.0000 51750.2783 -109888.4412 297.4096 -161638.7196 -109520.4432 298.2961 42.9430 70.2698 761483.2863 -3.8836 -4.0252 PRESSURE: 4687400 -332.373 101.429 -250.007 101.429 -114.005 30.6589 -250.008 30.6586 -395.4 GPRESSURE: 4687400 -388.526 127.193 -343.707 46.043 -56.0808 4.65561 -86.4924 135.02 -311.377 PRESSAVG: 4687400 20.6928 -30.6005 -33.8081 -30.6005 4.61174 10.9309 -33.8081 10.9309 -19.812 GPRESSAVG: 4687400 20.4033 -32.6757 -32.3515 -29.4203 5.34017 11.8922 -34.0437 12.3642 -19.6188 TIMING: 4687400 CPU: 14896.4, 0.00314956/step Wall: 14896.4, 0.00314956/step, 0.273487 hours remaining, 238.406250 MB of memory in use. ENERGY: 4687400 4050.6733 20540.9925 14504.7605 250.9035 -202973.7314 2222.6091 0.0000 0.0000 51788.5146 -109615.2778 297.6293 -161403.7924 -109264.6373 298.3436 -280.5925 -251.9947 762913.2528 1.8308 2.0416 PRESSURE: 4687600 -128.98 -2.82056 -26.599 -2.82084 87.4066 -160.044 -26.6004 -160.044 -6.18638 GPRESSURE: 4687600 -85.1951 -55.852 -9.37368 65.6243 97.9873 -120.326 70.1735 -210.727 25.297 PRESSAVG: 4687600 20.0095 -27.1165 -17.8155 -27.1165 10.1746 39.8572 -17.8155 39.8572 2.76765 GPRESSAVG: 4687600 20.6688 -21.8437 -19.089 -27.1794 9.62715 39.9634 -16.7126 37.6976 2.2059 TIMING: 4687600 CPU: 14897.1, 0.00315952/step Wall: 14897.1, 0.00315952/step, 0.274176 hours remaining, 238.406250 MB of memory in use. ENERGY: 4687600 3901.3884 20588.1053 14440.5057 265.8611 -203243.2596 2468.3364 0.0000 0.0000 51855.0941 -109723.9687 298.0119 -161579.0628 -109361.3878 298.7240 -15.9198 12.6964 758641.8985 10.9839 10.8340 PRESSURE: 4687800 -245.911 99.7438 6.98683 99.7433 19.1689 127.122 6.98702 127.122 -82.4806 GPRESSURE: 4687800 -267.373 84.8838 -23.6829 80.9784 70.9683 101.209 64.0747 191.816 -20.1604 PRESSAVG: 4687800 9.82993 -100.832 -3.80718 -100.832 33.5381 14.3593 -3.8072 14.3592 -7.75502 GPRESSAVG: 4687800 9.53364 -102.267 -3.97598 -99.8424 33.0571 13.1171 -2.90396 14.9365 -7.23296 TIMING: 4687800 CPU: 14897.7, 0.00314077/step Wall: 14897.7, 0.00314077/step, 0.272375 hours remaining, 238.406250 MB of memory in use. ENERGY: 4687800 4014.8210 20610.0219 14473.4023 244.8587 -203611.0598 2720.2485 0.0000 0.0000 52260.6118 -109287.0956 300.3425 -161547.7074 -108910.8710 299.0618 -103.0744 -72.1884 759517.7304 11.8710 11.7859 PRESSURE: 4688000 69.1669 -165.994 104.702 -165.995 15.9501 52.8033 104.701 52.8035 -280.696 GPRESSURE: 4688000 124.157 -113.126 234.342 -172.1 37.2532 78.1978 14.5938 -56.1532 -279.603 PRESSAVG: 4688000 1.04659 -26.9407 26.8995 -26.9408 -3.45866 19.7996 26.8994 19.7997 -1.45657 GPRESSAVG: 4688000 0.944496 -27.2791 26.3143 -27.6595 -3.21899 19.4687 25.5997 21.7715 -1.38851 TIMING: 4688000 CPU: 14898.3, 0.00316726/step Wall: 14898.3, 0.00316726/step, 0.274496 hours remaining, 238.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4688000 3982.0149 20626.3471 14456.7873 249.6871 -203280.8415 2659.4832 0.0000 0.0000 51837.8991 -109468.6228 297.9131 -161306.5219 -109104.7102 299.6436 -65.1931 -39.3978 762336.6955 -1.2895 -1.2210 PRESSURE: 4688200 -38.6261 98.2745 154.208 98.2743 208.433 156.243 154.207 156.242 76.7657 GPRESSURE: 4688200 -29.7822 49.7706 146.5 68.8786 173.221 226.857 68.8925 111.212 188.245 PRESSAVG: 4688200 -0.118765 -55.8095 38.8169 -55.8095 -17.402 -4.79005 38.8168 -4.79003 18.0542 GPRESSAVG: 4688200 1.89057 -55.9893 38.5559 -56.6695 -19.0927 -3.44292 38.0008 -5.38202 17.9898 TIMING: 4688200 CPU: 14899, 0.00315821/step Wall: 14899, 0.00315821/step, 0.273536 hours remaining, 238.406250 MB of memory in use. ENERGY: 4688200 3990.5349 20379.7222 14525.8995 254.8294 -203409.0652 2754.4200 0.0000 0.0000 52127.0985 -109376.5606 299.5752 -161503.6591 -109015.1865 299.6841 82.1908 110.5613 759765.8050 0.1778 0.2625 LDB: ============= START OF LOAD BALANCING ============== 14911.4 LDB: ============== END OF LOAD BALANCING =============== 14911.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14911.4 LDB: ============= START OF LOAD BALANCING ============== 14911.7 LDB: Largest compute 7057 load 0.034932 is 17.8% of average load 0.196054 LDB: Average compute 0.004393 is 2.2% of average load 0.196054 LDB: TIME 14911.7 LOAD: AVG 0.196054 MAX 0.220906 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.438 MB LDB: TIME 14911.7 LOAD: AVG 0.196054 MAX 0.220906 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.641 MB LDB: TIME 14911.7 LOAD: AVG 0.196054 MAX 0.220906 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14911.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14911.7 PRESSURE: 4688400 -48.8687 -145.557 68.0781 -145.557 -22.6778 5.38936 68.0781 5.38886 -91.7086 GPRESSURE: 4688400 41.7139 -139.886 62.465 -79.4252 -72.8156 4.10163 105.614 4.92635 -31.2 PRESSAVG: 4688400 64.1161 -24.0662 -21.5875 -24.0662 -51.825 11.9615 -21.5875 11.9615 -17.1101 GPRESSAVG: 4688400 62.0251 -25.3563 -20.5218 -22.5306 -49.8063 12.5545 -20.1061 8.86016 -17.3679 TIMING: 4688400 CPU: 14899.6, 0.00324436/step Wall: 14899.6, 0.00324436/step, 0.280817 hours remaining, 238.355469 MB of memory in use. ENERGY: 4688400 4058.0254 20484.9503 14408.9982 249.9949 -203299.5926 2784.1556 0.0000 0.0000 52029.1987 -109284.2695 299.0125 -161313.4682 -108920.8834 299.4114 -54.4184 -20.7672 760857.3446 -1.6064 -1.7164 PRESSURE: 4688600 -228.52 -17.1416 -138.56 -17.1421 -19.5888 17.0215 -138.559 17.0209 144.753 GPRESSURE: 4688600 -254.997 72.145 -67.1409 86.3311 18.9494 62.6112 -197.97 -114.055 214.822 PRESSAVG: 4688600 13.6806 -7.99488 -25.2398 -7.99484 -37.68 -38.1269 -25.2398 -38.1269 19.5957 GPRESSAVG: 4688600 14.561 -5.48387 -26.4036 -9.18192 -38.6435 -39.8292 -23.9862 -38.2166 19.8136 TIMING: 4688600 CPU: 14900.3, 0.00316167/step Wall: 14900.3, 0.00316167/step, 0.273485 hours remaining, 238.558594 MB of memory in use. ENERGY: 4688600 3947.3080 20686.1120 14502.5353 243.9950 -203101.8853 2462.0030 0.0000 0.0000 51888.5106 -109371.4214 298.2040 -161259.9320 -109016.5003 299.3041 -34.4519 -7.0752 760757.6628 -1.4679 -1.4230 PRESSURE: 4688800 -233.004 -171.396 -166.821 -171.396 -415.938 -81.8787 -166.822 -81.8793 9.76931 GPRESSURE: 4688800 -285.62 -131.218 -220.226 -220.144 -329.046 -104.793 -103.645 134.287 50.2534 PRESSAVG: 4688800 -42.1767 -82.4372 -26.8118 -82.4372 10.5698 5.60204 -26.8119 5.60206 10.3425 GPRESSAVG: 4688800 -43.0941 -81.5446 -25.7053 -83.0224 11.1107 7.39264 -29.0503 7.29089 10.7521 TIMING: 4688800 CPU: 14900.9, 0.00315749/step Wall: 14900.9, 0.00315749/step, 0.272947 hours remaining, 238.558594 MB of memory in use. ENERGY: 4688800 4016.9305 20586.7477 14507.7175 230.9604 -203503.4195 2523.1499 0.0000 0.0000 52221.7145 -109416.1990 300.1189 -161637.9135 -109050.5380 299.1805 -213.0575 -188.1376 760424.7787 -7.0881 -7.0771 PRESSURE: 4689000 -290.187 -148.078 -65.4275 -148.079 -106.276 61.5273 -65.4276 61.5281 -99.4823 GPRESSURE: 4689000 -305.374 -60.113 37.0558 -114.024 -39.0365 -12.2831 -237.273 224.032 -55.5065 PRESSAVG: 4689000 6.16461 -81.5129 3.89695 -81.5129 38.0715 -23.4077 3.89692 -23.4078 30.1418 GPRESSAVG: 4689000 5.69113 -81.319 3.70181 -80.0935 39.4363 -24.0522 3.59505 -23.6971 29.3098 TIMING: 4689000 CPU: 14901.5, 0.00314181/step Wall: 14901.5, 0.00314181/step, 0.271417 hours remaining, 238.558594 MB of memory in use. ENERGY: 4689000 4145.3965 20472.9286 14435.1675 249.3939 -203566.5678 2590.2674 0.0000 0.0000 52226.3052 -109447.1087 300.1453 -161673.4139 -109082.9037 299.9067 -165.3153 -133.3056 760102.9458 24.7926 24.8124 PRESSURE: 4689200 186.681 -51.6217 59.7179 -51.6216 81.8579 121.987 59.7178 121.986 531.653 GPRESSURE: 4689200 190.59 -90.0803 -6.44178 92.1675 192.858 168.612 102.393 142.722 502.144 PRESSAVG: 4689200 1.97215 -54.0585 -7.45859 -54.0585 -8.77724 0.980281 -7.45858 0.980283 5.66341 GPRESSAVG: 4689200 2.61855 -56.009 -7.50048 -52.7804 -8.77015 0.611865 -5.21208 -0.264556 5.94614 TIMING: 4689200 CPU: 14902.1, 0.00315479/step Wall: 14902.1, 0.00315479/step, 0.272363 hours remaining, 238.558594 MB of memory in use. ENERGY: 4689200 4002.2569 20667.1572 14445.5516 258.0049 -203590.5804 2715.8651 0.0000 0.0000 52058.2597 -109443.4850 299.1795 -161501.7448 -109081.6338 299.3276 266.7309 295.1972 760624.5275 -0.3806 -0.0685 PRESSURE: 4689400 89.3283 131.029 -122.887 131.029 -126.299 -60.47 -122.886 -60.471 -59.4353 GPRESSURE: 4689400 58.9495 -6.98682 -228.559 50.9439 -51.2465 -59.9257 -209.86 -24.8741 -4.6168 PRESSAVG: 4689400 40.6286 3.93215 -2.51397 3.93217 11.476 -13.2227 -2.514 -13.2227 13.4387 GPRESSAVG: 4689400 40.9807 2.6515 -3.86777 2.94914 10.8936 -14.0834 -1.39508 -11.9694 13.5645 TIMING: 4689400 CPU: 14902.8, 0.00315523/step Wall: 14902.8, 0.00315524/step, 0.272227 hours remaining, 238.558594 MB of memory in use. ENERGY: 4689400 3943.0501 20472.1372 14444.1584 246.5884 -203297.5337 2578.8182 0.0000 0.0000 52335.5991 -109277.1823 300.7734 -161612.7814 -108906.1571 299.7592 -32.1353 1.0287 760781.2530 21.8478 21.8129 PRESSURE: 4689600 -56.1095 57.8969 102.762 57.8969 -308.311 -11.1659 102.761 -11.1671 -209.164 GPRESSURE: 4689600 -95.2071 25.5889 52.7508 -70.9855 -239.604 61.5694 46.927 -125.833 -175.38 PRESSAVG: 4689600 26.8698 -46.5161 -51.6945 -46.516 -28.3679 -20.3956 -51.6944 -20.3957 -28.5353 GPRESSAVG: 4689600 25.8729 -43.6808 -51.8907 -45.8785 -29.2146 -18.8195 -52.458 -20.1302 -27.0797 TIMING: 4689600 CPU: 14903.4, 0.00315506/step Wall: 14903.4, 0.00315506/step, 0.272036 hours remaining, 238.558594 MB of memory in use. ENERGY: 4689600 3913.0035 20689.7301 14500.7611 249.9559 -203123.6089 2546.7114 0.0000 0.0000 51776.0354 -109447.4116 297.5576 -161223.4470 -109088.0778 299.5619 -191.1950 -170.0636 761952.7299 -10.0112 -10.1405 PRESSURE: 4689800 273.71 -93.3382 -199.171 -93.3378 101.429 40.2954 -199.172 40.296 90.0338 GPRESSURE: 4689800 324.5 -164.721 -281.652 -147.914 114.066 -62.7199 -204.65 128.562 114.638 PRESSAVG: 4689800 35.1757 -50.0079 1.54186 -50.0079 -3.31276 20.0052 1.54189 20.0051 13.5657 GPRESSAVG: 4689800 36.353 -50.9815 1.88602 -50.8821 -1.7989 18.0347 2.14192 18.41 10.6997 TIMING: 4689800 CPU: 14904, 0.00314743/step Wall: 14904, 0.00314743/step, 0.271203 hours remaining, 238.558594 MB of memory in use. ENERGY: 4689800 4068.6674 20522.4734 14426.0091 233.1206 -203669.3611 2829.4230 0.0000 0.0000 52070.7056 -109518.9619 299.2511 -161589.6676 -109153.8421 299.2007 155.0576 184.4014 758564.6092 15.1429 15.0846 PRESSURE: 4690000 -509.446 85.5421 231.201 85.5423 -226.635 -91.7434 231.201 -91.7441 -175.232 GPRESSURE: 4690000 -477.807 134.078 283.333 14.7301 -181.726 -50.9323 245.372 15.2177 -150.059 PRESSAVG: 4690000 36.4611 5.68204 37.4401 5.68201 -45.5285 0.69985 37.4401 0.699817 -8.46524 GPRESSAVG: 4690000 35.5228 4.35481 38.5361 6.90604 -45.7665 0.998681 36.3283 3.13595 -7.45947 TIMING: 4690000 CPU: 14904.7, 0.00315406/step Wall: 14904.7, 0.00315406/step, 0.271599 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4690000 4033.1783 20469.8111 14424.5572 255.4084 -203299.7261 2423.8180 0.0000 0.0000 52029.2804 -109663.6725 299.0130 -161692.9529 -109291.7377 299.0804 -303.7708 -269.8641 761426.4101 -5.8442 -5.9010 PRESSURE: 4690200 -48.0911 10.1934 127.101 10.1925 145.089 -150.355 127.101 -150.355 275.794 GPRESSURE: 4690200 -61.348 36.0172 121.275 87.4169 245.642 -137.241 164.351 -89.5954 263.62 PRESSAVG: 4690200 -51.6796 -49.5689 41.9206 -49.5689 84.4919 -6.16441 41.9206 -6.16443 13.0881 GPRESSAVG: 4690200 -49.9471 -48.8115 41.6139 -48.9135 82.6055 -4.76455 41.3481 -8.94407 13.4293 TIMING: 4690200 CPU: 14905.3, 0.00314529/step Wall: 14905.3, 0.00314529/step, 0.27067 hours remaining, 238.558594 MB of memory in use. ENERGY: 4690200 4029.9538 20632.5812 14475.3928 249.1843 -203481.7861 2629.4935 0.0000 0.0000 51945.5080 -109519.6724 298.5315 -161465.1804 -109169.8638 298.9373 124.2640 149.3047 761758.2203 15.3001 15.3626 PRESSURE: 4690400 -447.077 103.751 210.089 103.751 -113.828 265.358 210.09 265.357 271.155 GPRESSURE: 4690400 -420.005 12.5392 254.429 208.919 -88.0962 265.742 259.931 137.757 281.736 PRESSAVG: 4690400 -10.9559 -46.9812 -17.1423 -46.9812 11.1225 -29.5589 -17.1423 -29.5589 26.6407 GPRESSAVG: 4690400 -11.8397 -47.1849 -17.4682 -48.0746 12.5258 -31.1919 -15.7985 -28.1132 25.3899 TIMING: 4690400 CPU: 14905.9, 0.00315153/step Wall: 14905.9, 0.00315153/step, 0.271032 hours remaining, 238.558594 MB of memory in use. ENERGY: 4690400 4107.9307 20547.8318 14436.4791 235.7932 -203600.5371 2647.6007 0.0000 0.0000 52008.7632 -109616.1385 298.8951 -161624.9017 -109257.9382 299.0367 -96.5830 -75.4551 760978.6683 8.9358 8.6920 PRESSURE: 4690600 8.62828 15.0866 83.709 15.0873 83.5914 -33.253 83.7088 -33.2528 279.878 GPRESSURE: 4690600 95.5053 58.4555 36.4107 80.9587 79.9984 -24.5555 48.3018 90.3592 274.077 PRESSAVG: 4690600 -13.3451 -24.3853 0.511909 -24.3852 -8.09197 -18.241 0.511945 -18.241 -7.34193 GPRESSAVG: 4690600 -12.1139 -24.4039 0.873881 -25.5135 -7.48065 -17.9636 0.482175 -16.8951 -8.62867 TIMING: 4690600 CPU: 14906.6, 0.00316715/step Wall: 14906.6, 0.00316715/step, 0.272199 hours remaining, 238.558594 MB of memory in use. ENERGY: 4690600 3906.4294 20640.7984 14512.5714 243.4647 -203596.5918 2771.4280 0.0000 0.0000 52106.6362 -109415.2638 299.4576 -161521.8999 -109054.0819 299.3680 124.0326 149.8602 762660.2043 -9.5930 -9.4077 PRESSURE: 4690800 -103.233 -74.8648 -11.662 -74.8642 -172.92 82.4191 -11.6622 82.4211 35.4149 GPRESSURE: 4690800 -68.2468 44.086 -30.8318 -76.8238 -160.074 190.79 76.0335 15.5995 60.996 PRESSAVG: 4690800 -32.2431 -90.6681 33.4628 -90.668 10.8495 45.1226 33.4628 45.1226 -0.487846 GPRESSAVG: 4690800 -33.2769 -90.4489 33.6431 -90.3907 9.93314 45.9132 32.8392 43.4725 1.42096 TIMING: 4690800 CPU: 14907.2, 0.00317323/step Wall: 14907.2, 0.00317323/step, 0.272545 hours remaining, 238.558594 MB of memory in use. ENERGY: 4690800 3938.5372 20546.7026 14405.3116 246.9225 -203281.9326 2380.1820 0.0000 0.0000 52154.9687 -109609.3078 299.7353 -161764.2765 -109247.1864 299.1524 -80.2460 -55.7750 761744.6731 -7.2938 -7.3076 PRESSURE: 4691000 -261.929 54.7441 -206.737 54.7445 -223.735 -83.6386 -206.737 -83.6381 58.8575 GPRESSURE: 4691000 -235.778 45.4612 -262.754 -52.7784 -164.751 -32.6778 -132.102 -127.162 55.1298 PRESSAVG: 4691000 35.0648 -47.6825 -7.5311 -47.6825 -1.7875 4.55189 -7.53109 4.55185 5.41709 GPRESSAVG: 4691000 35.1907 -45.3726 -7.90677 -48.1013 -2.31309 4.55271 -7.15625 4.36968 4.98631 TIMING: 4691000 CPU: 14907.8, 0.00315636/step Wall: 14907.8, 0.00315636/step, 0.270921 hours remaining, 238.558594 MB of memory in use. ENERGY: 4691000 3965.3498 20502.0637 14491.8606 263.9104 -203614.6956 2598.9447 0.0000 0.0000 52276.3827 -109516.1837 300.4331 -161792.5664 -109144.8134 298.8988 -142.2688 -115.1331 762709.1809 12.8981 12.6213 PRESSURE: 4691200 -277.39 105.398 132.976 105.398 -391.174 242.169 132.976 242.17 -124.564 GPRESSURE: 4691200 -276.253 10.4818 127.58 173.796 -310.395 342.94 140.156 201.515 -134.277 PRESSAVG: 4691200 6.05731 -30.1952 9.37171 -30.1952 7.75222 26.6603 9.37165 26.6603 8.33152 GPRESSAVG: 4691200 6.14023 -31.8173 8.90236 -31.2374 8.55042 26.2088 10.5298 28.2449 7.05958 TIMING: 4691200 CPU: 14908.5, 0.00315772/step Wall: 14908.5, 0.00315772/step, 0.270862 hours remaining, 238.558594 MB of memory in use. ENERGY: 4691200 4047.3092 20662.0944 14464.1658 258.2589 -203576.8273 2817.2253 0.0000 0.0000 51926.1119 -109401.6618 298.4201 -161327.7737 -109043.2081 299.1745 -264.3758 -240.3079 761355.2836 7.3803 7.2501 PRESSURE: 4691400 267.438 123.856 98.9117 123.856 80.1725 106.972 98.9114 106.972 494.18 GPRESSURE: 4691400 258.661 132.903 119.991 -18.6967 196.752 112.151 -91.7303 195.963 470.984 PRESSAVG: 4691400 36.7712 31.7164 25.9613 31.7165 -26.1429 8.43533 25.9613 8.4353 3.59865 GPRESSAVG: 4691400 34.977 30.088 27.7732 34.6245 -25.2 9.88193 23.0877 8.32297 3.46206 TIMING: 4691400 CPU: 14909.1, 0.00314574/step Wall: 14909.1, 0.00314574/step, 0.269659 hours remaining, 238.558594 MB of memory in use. ENERGY: 4691400 3909.9589 20535.9186 14461.3433 252.1707 -203626.9174 2938.9124 0.0000 0.0000 52088.0750 -109440.5385 299.3509 -161528.6135 -109083.1367 299.2253 280.5969 308.7990 762299.2832 4.7423 4.4130 PRESSURE: 4691600 227.114 257.9 -2.7775 257.9 219.557 -164.269 -2.77725 -164.269 184.393 GPRESSURE: 4691600 284.359 228.681 -91.3728 155.806 177.02 -140.12 131.282 -152.306 249.532 PRESSAVG: 4691600 47.9459 -39.5403 45.0058 -39.5403 -41.0656 33.4446 45.0059 33.4446 16.5838 GPRESSAVG: 4691600 48.6184 -37.1765 44.3445 -43.611 -42.5384 32.339 46.2097 32.3406 17.3384 TIMING: 4691600 CPU: 14909.7, 0.00314318/step Wall: 14909.7, 0.00314318/step, 0.269266 hours remaining, 238.558594 MB of memory in use. ENERGY: 4691600 3947.3218 20419.5631 14437.7309 268.9244 -203377.3345 2825.3508 0.0000 0.0000 52286.5556 -109191.8879 300.4916 -161478.4435 -108825.9395 299.2789 210.3546 236.9703 759903.1887 7.8214 7.8061 PRESSURE: 4691800 -305.259 -6.77323 30.867 -6.77283 -122.216 -23.4968 30.8668 -23.4963 -223.771 GPRESSURE: 4691800 -326.157 14.6288 -6.24088 55.3638 20.9242 -25.7128 14.2067 57.103 -275.528 PRESSAVG: 4691800 8.07075 -2.91269 12.6786 -2.91274 -39.8024 -27.3163 12.6787 -27.3163 5.32118 GPRESSAVG: 4691800 8.04341 -2.5984 12.6303 -0.916307 -38.9503 -28.7959 14.3478 -26.8508 4.40827 TIMING: 4691800 CPU: 14910.3, 0.00313009/step Wall: 14910.3, 0.00313009/step, 0.26797 hours remaining, 238.558594 MB of memory in use. ENERGY: 4691800 3992.1565 20593.8643 14474.9421 245.1466 -203455.1985 2686.0742 0.0000 0.0000 52142.4109 -109320.6039 299.6632 -161463.0148 -108963.6653 299.3953 -217.0820 -193.5870 761397.4327 -8.8035 -8.8329 PRESSURE: 4692000 258.323 229.042 -14.5412 229.042 -9.1175 -59.0995 -14.5415 -59.0995 42.8444 GPRESSURE: 4692000 243.296 205.24 5.25524 283.007 79.1927 -55.0523 -33.806 64.9072 52.6271 PRESSAVG: 4692000 10.0832 -8.4745 22.3669 -8.47442 -5.98145 9.92539 22.3669 9.92547 8.93202 GPRESSAVG: 4692000 9.6092 -8.52644 22.0018 -7.49487 -5.65877 12.4873 19.9176 8.61498 8.95243 TIMING: 4692000 CPU: 14911, 0.00316089/step Wall: 14911, 0.00316089/step, 0.270432 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4692000 3941.6516 20588.2095 14481.7295 262.1934 -203439.7849 2902.3998 0.0000 0.0000 52008.9387 -109254.6623 298.8961 -161263.6011 -108894.3190 299.2466 97.3498 125.0387 761467.7243 4.3446 4.3010 PRESSURE: 4692200 -65.8937 -265.522 -47.8634 -265.522 55.2798 57.0242 -47.864 57.0237 210.125 GPRESSURE: 4692200 48.1352 -203.986 -7.48659 -232.005 24.1387 109.291 183.985 0.0908063 216.29 PRESSAVG: 4692200 -2.41993 -20.5776 15.5044 -20.5776 10.3976 12.0233 15.5045 12.0234 11.3753 GPRESSAVG: 4692200 -2.18336 -20.0178 15.7074 -21.9291 8.50425 11.0865 17.1884 12.3819 13.2096 TIMING: 4692200 CPU: 14911.6, 0.00318127/step Wall: 14911.6, 0.00318127/step, 0.271999 hours remaining, 238.558594 MB of memory in use. ENERGY: 4692200 4032.4431 20492.4750 14470.7252 259.4399 -203343.6491 2633.8314 0.0000 0.0000 52081.9757 -109372.7588 299.3158 -161454.7345 -109017.0843 299.0763 66.5035 96.1880 762059.6462 6.4510 6.5102 LDB: ============= START OF LOAD BALANCING ============== 14924 LDB: ============== END OF LOAD BALANCING =============== 14924 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14924 LDB: ============= START OF LOAD BALANCING ============== 14924.3 LDB: Largest compute 7057 load 0.035282 is 18.0% of average load 0.195918 LDB: Average compute 0.004406 is 2.2% of average load 0.195918 LDB: TIME 14924.3 LOAD: AVG 0.195918 MAX 0.219573 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 14924.3 LOAD: AVG 0.195918 MAX 0.219573 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 14924.3 LOAD: AVG 0.195918 MAX 0.219573 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14924.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14924.3 PRESSURE: 4692400 -60.8448 -7.29989 -80.9184 -7.30049 -343.228 162.86 -80.9183 162.86 -165.583 GPRESSURE: 4692400 -61.6236 -66.085 44.1197 -52.909 -271.99 191.179 -86.1479 236.012 -144.532 PRESSAVG: 4692400 32.9596 -51.7388 102.143 -51.7389 -31.9691 92.7378 102.143 92.7377 20.5605 GPRESSAVG: 4692400 32.7691 -54.0244 102.916 -50.6661 -30.6042 93.5037 101.744 92.6038 19.4796 TIMING: 4692400 CPU: 14912.3, 0.00324595/step Wall: 14912.3, 0.00324595/step, 0.277348 hours remaining, 239.125000 MB of memory in use. ENERGY: 4692400 4047.8896 20630.4644 14482.6675 250.7052 -203402.1881 2721.0546 0.0000 0.0000 52162.6651 -109106.7418 299.7796 -161269.4069 -108744.6098 299.2456 -189.8850 -159.3819 761303.0838 7.1837 7.2148 PRESSURE: 4692600 -179.363 -7.09329 -105.028 -7.09296 242.732 -74.0889 -105.027 -74.0891 -247.907 GPRESSURE: 4692600 -67.0922 -32.4142 -114.677 77.2864 202.691 -42.6464 -43.0975 -165.488 -239.258 PRESSAVG: 4692600 13.4191 -51.3633 43.7428 -51.3633 -13.2044 -0.863036 43.7428 -0.862979 -7.36274 GPRESSAVG: 4692600 14.5509 -51.9662 44.6161 -50.9644 -14.431 -2.20756 43.2664 0.708395 -6.92676 TIMING: 4692600 CPU: 14912.9, 0.00317448/step Wall: 14912.9, 0.00317448/step, 0.271065 hours remaining, 239.125000 MB of memory in use. ENERGY: 4692600 4022.1809 20529.4230 14490.7930 250.4902 -203437.1465 2474.9212 0.0000 0.0000 52150.2203 -109519.1180 299.7080 -161669.3383 -109153.8866 299.3534 -61.5124 -34.5532 761340.4564 -2.3827 -2.2689 PRESSURE: 4692800 21.8766 108.292 -38.645 108.292 -85.6185 -21.9209 -38.6449 -21.9211 -152.484 GPRESSURE: 4692800 50.7348 5.60646 11.0127 156.382 -53.9336 -18.9014 -70.5209 -26.851 -152.378 PRESSAVG: 4692800 48.5241 -12.1589 49.502 -12.159 -62.1612 -8.02487 49.502 -8.02491 2.41128 GPRESSAVG: 4692800 47.7819 -9.48627 47.5892 -10.8661 -61.6581 -7.78589 49.9288 -10.4952 2.53912 TIMING: 4692800 CPU: 14913.5, 0.00316733/step Wall: 14913.5, 0.00316734/step, 0.270279 hours remaining, 239.125000 MB of memory in use. ENERGY: 4692800 4053.7291 20524.0472 14457.8143 261.3377 -203015.7807 2332.4231 0.0000 0.0000 52013.8595 -109372.5697 298.9244 -161386.4291 -109013.3150 299.3278 -72.0752 -51.8590 762057.8318 -3.7419 -3.7790 PRESSURE: 4693000 -14.3197 31.0392 -3.86531 31.0396 75.7985 -97.8 -3.86516 -97.8017 -333.836 GPRESSURE: 4693000 34.0593 -24.0268 85.2414 12.3983 125.411 -44.1111 -88.2977 -83.8973 -353.903 PRESSAVG: 4693000 74.6652 -1.56582 31.3341 -1.56576 -56.7422 7.81355 31.3341 7.81357 5.9692 GPRESSAVG: 4693000 73.8556 -4.14722 34.3311 -3.77071 -55.894 8.08808 29.6052 9.0342 5.4507 TIMING: 4693000 CPU: 14914.2, 0.003157/step Wall: 14914.2, 0.003157/step, 0.269222 hours remaining, 239.125000 MB of memory in use. ENERGY: 4693000 4067.5011 20593.8542 14490.8933 273.6076 -203120.3076 2620.6967 0.0000 0.0000 51724.1437 -109349.6110 297.2594 -161073.7547 -108993.6774 299.0968 -90.7857 -64.8108 761913.5534 7.9641 7.8041 PRESSURE: 4693200 -59.5795 -165.493 219.429 -165.493 293.77 139.822 219.429 139.822 159.31 GPRESSURE: 4693200 3.52491 -84.0574 192.725 -143.61 284.944 187.298 175.15 -26.5017 156.191 PRESSAVG: 4693200 -29.4565 -35.1412 19.2161 -35.1412 -14.3213 21.7194 19.2161 21.7194 11.4165 GPRESSAVG: 4693200 -28.3865 -35.7014 18.0439 -32.1436 -14.527 21.472 20.304 22.8375 10.9473 TIMING: 4693200 CPU: 14914.8, 0.00317253/step Wall: 14914.8, 0.00317253/step, 0.27037 hours remaining, 239.125000 MB of memory in use. ENERGY: 4693200 4022.2320 20620.0629 14481.5884 254.6915 -203201.5758 2533.5147 0.0000 0.0000 51925.8690 -109363.6172 298.4187 -161289.4862 -109008.5674 299.0289 131.1671 148.2200 760841.4287 -10.7871 -10.6554 PRESSURE: 4693400 -97.4787 -93.7544 59.7085 -93.7545 -17.3957 -150.523 59.7082 -150.522 -226.178 GPRESSURE: 4693400 -51.8252 3.22417 107.499 1.4121 25.3676 -113.433 66.9446 -105.947 -236.356 PRESSAVG: 4693400 -41.4062 -54.4398 -17.7633 -54.4397 54.2687 18.4351 -17.7632 18.4351 12.5785 GPRESSAVG: 4693400 -40.5584 -53.1557 -18.1113 -58.1726 52.5838 17.1858 -18.163 16.942 13.2092 TIMING: 4693400 CPU: 14915.4, 0.00317733/step Wall: 14915.4, 0.00317733/step, 0.270602 hours remaining, 239.125000 MB of memory in use. ENERGY: 4693400 3988.3817 20538.0588 14479.9405 261.8555 -202921.0432 2293.8378 0.0000 0.0000 51870.0503 -109488.9187 298.0979 -161358.9690 -109133.8423 298.7302 -113.6841 -87.6045 761609.7453 8.4803 8.4115 PRESSURE: 4693600 9.37299 -246.645 -141.88 -246.646 87.1363 -154.2 -141.88 -154.201 230.863 GPRESSURE: 4693600 83.4313 -213.513 -156.528 -254.139 126.214 -108.538 -183.152 -112.779 197.922 PRESSAVG: 4693600 17.6552 -54.344 32.1047 -54.3441 17.8605 -39.0097 32.1047 -39.0097 11.3577 GPRESSAVG: 4693600 16.2437 -53.5929 32.7586 -53.5523 19.4403 -38.0695 32.6638 -37.704 11.2224 TIMING: 4693600 CPU: 14916.1, 0.0031763/step Wall: 14916.1, 0.0031763/step, 0.270338 hours remaining, 239.125000 MB of memory in use. ENERGY: 4693600 3977.1121 20491.7866 14428.3952 250.9365 -203285.6418 2653.1310 0.0000 0.0000 52057.8772 -109426.4033 299.1773 -161484.2805 -109061.9289 298.7702 109.1240 135.8557 761026.7926 15.6244 15.6355 PRESSURE: 4693800 66.75 69.3148 81.8813 69.3146 -102.632 -20.4159 81.8811 -20.4154 103.197 GPRESSURE: 4693800 110.414 47.5832 81.5438 55.2318 -25.158 112.468 145.128 -154.069 63.8417 PRESSAVG: 4693800 -13.7881 -54.9525 7.70101 -54.9524 -5.05763 -26.1726 7.70102 -26.1726 -17.7453 GPRESSAVG: 4693800 -13.5179 -55.4693 5.85141 -54.0614 -5.3906 -26.2523 8.42 -25.2338 -17.7621 TIMING: 4693800 CPU: 14916.7, 0.00318095/step Wall: 14916.7, 0.00318094/step, 0.270557 hours remaining, 239.125000 MB of memory in use. ENERGY: 4693800 3980.4644 20390.5095 14516.4420 244.6508 -203064.4907 2351.8003 0.0000 0.0000 52136.5071 -109444.1167 299.6292 -161580.6238 -109076.4471 299.1108 22.4383 49.6991 761767.5791 -12.1970 -12.2236 PRESSURE: 4694000 -16.9938 -175.477 129.951 -175.476 114.77 -75.5829 129.952 -75.5819 22.2488 GPRESSURE: 4694000 13.4374 -110.69 110.534 -148.231 171.057 -64.0695 83.8966 33.5609 35.682 PRESSAVG: 4694000 -14.4204 10.0449 -24.1544 10.045 -17.2468 5.65669 -24.1544 5.65668 -6.79903 GPRESSAVG: 4694000 -14.1574 8.67984 -23.2967 11.3885 -17.0756 4.83773 -25.6777 5.30471 -7.37954 TIMING: 4694000 CPU: 14917.3, 0.00318561/step Wall: 14917.3, 0.00318561/step, 0.270777 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4694000 3911.1446 20510.3947 14456.9023 247.8200 -203211.4910 2540.5787 0.0000 0.0000 52030.7829 -109513.8680 299.0216 -161544.6509 -109153.7604 299.2742 40.0081 73.3921 761801.6685 -12.8221 -12.8708 PRESSURE: 4694200 -210.666 13.648 120.389 13.6478 -299.075 -203.272 120.389 -203.272 -36.0198 GPRESSURE: 4694200 -126.289 -53.6102 112.484 70.3324 -197.907 -239.918 177.751 -103.731 -122.461 PRESSAVG: 4694200 9.48503 21.8462 49.6702 21.8461 14.7898 22.3139 49.6702 22.3139 0.825396 GPRESSAVG: 4694200 10.2631 21.7531 50.1402 22.1089 13.7581 22.2359 50.6158 22.8588 0.905045 TIMING: 4694200 CPU: 14918, 0.00320694/step Wall: 14918, 0.00320694/step, 0.272412 hours remaining, 239.125000 MB of memory in use. ENERGY: 4694200 4008.6086 20403.3094 14401.8689 247.7631 -203188.5505 2536.1441 0.0000 0.0000 52055.7632 -109535.0931 299.1652 -161590.8564 -109176.7727 298.4364 -181.9202 -148.8855 761014.6596 8.3667 8.3087 PRESSURE: 4694400 -91.6192 47.0794 -79.0921 47.0792 -69.4606 -113.606 -79.0924 -113.605 -81.1652 GPRESSURE: 4694400 4.32631 196.907 -15.6536 -25.1791 -162.204 -78.7073 -235.854 -243.516 5.38167 PRESSAVG: 4694400 17.6995 9.62224 40.0959 9.62226 16.686 -9.59264 40.0959 -9.59265 -6.15034 GPRESSAVG: 4694400 16.9774 12.7252 38.4914 6.54036 16.9335 -7.65918 40.983 -11.4102 -5.46739 TIMING: 4694400 CPU: 14918.6, 0.00316964/step Wall: 14918.6, 0.00316964/step, 0.269067 hours remaining, 239.125000 MB of memory in use. ENERGY: 4694400 4032.9794 20566.6624 14465.2074 248.6645 -203050.8916 2569.7733 0.0000 0.0000 51907.0982 -109260.5064 298.3108 -161167.6046 -108908.4487 299.1334 -80.7483 -50.8321 762545.7069 9.4117 9.4812 PRESSURE: 4694600 52.4125 252.354 77.2514 252.355 -149.168 -199.186 77.2514 -199.185 324.217 GPRESSURE: 4694600 178.61 157.283 194.01 161.753 -102.285 -213.029 -19.3688 5.70275 221.382 PRESSAVG: 4694600 36.2276 -42.221 -54.1475 -42.2209 -29.524 -30.4079 -54.1475 -30.4079 -12.8407 GPRESSAVG: 4694600 36.4667 -43.7885 -53.0784 -40.6792 -29.0536 -31.0326 -54.6577 -29.7114 -13.7914 TIMING: 4694600 CPU: 14919.2, 0.00316283/step Wall: 14919.2, 0.00316283/step, 0.268314 hours remaining, 239.125000 MB of memory in use. ENERGY: 4694600 3925.7138 20469.2958 14417.0633 253.0559 -203133.2327 2721.1639 0.0000 0.0000 52145.4065 -109201.5335 299.6804 -161346.9400 -108842.8260 299.3289 75.8206 99.2359 762296.1607 -2.0457 -2.1261 PRESSURE: 4694800 -213.682 95.1122 33.5043 95.1114 -32.6673 -148.637 33.5048 -148.637 -34.8332 GPRESSURE: 4694800 -111.893 55.2949 18.3818 -0.756545 -83.4827 -124.574 85.403 -188.632 -15.8128 PRESSAVG: 4694800 0.887551 -34.6065 12.615 -34.6065 16.4098 42.6256 12.6149 42.6256 14.9629 GPRESSAVG: 4694800 0.944607 -35.4186 13.415 -36.8391 16.1222 40.7197 13.7595 43.2593 15.1767 TIMING: 4694800 CPU: 14919.9, 0.00317553/step Wall: 14919.9, 0.00317553/step, 0.269215 hours remaining, 239.125000 MB of memory in use. ENERGY: 4694800 3903.2670 20614.9367 14454.3824 263.7127 -202900.7035 2380.1872 0.0000 0.0000 51867.8574 -109416.3601 298.0853 -161284.2175 -109057.9537 298.9020 -93.7274 -70.3962 763245.2405 10.7534 10.7478 PRESSURE: 4695000 -44.823 49.5699 39.5384 49.57 91.1723 10.9089 39.5387 10.9097 130.843 GPRESSURE: 4695000 22.6076 72.1345 16.4204 39.2952 115.091 45.5389 -3.45881 23.4833 113.086 PRESSAVG: 4695000 24.112 25.5957 -6.31009 25.5957 -11.682 35.2578 -6.31013 35.2577 -0.85283 GPRESSAVG: 4695000 22.7265 24.8165 -8.07303 28.3384 -10.7668 35.9556 -9.49335 37.503 -0.333869 TIMING: 4695000 CPU: 14920.5, 0.00317788/step Wall: 14920.5, 0.00317788/step, 0.269237 hours remaining, 239.125000 MB of memory in use. ENERGY: 4695000 3981.2959 20595.9076 14411.4169 249.7438 -203461.8287 2757.1335 0.0000 0.0000 51884.8594 -109581.4716 298.1830 -161466.3310 -109221.0821 298.6977 59.0643 83.5947 762480.9719 3.8591 3.8753 PRESSURE: 4695200 -288.657 -138.265 31.5706 -138.265 -172.672 -205.941 31.5705 -205.941 160.786 GPRESSURE: 4695200 -174.363 -47.7773 121.658 -58.1013 -156.25 -142.802 82.4845 -116.295 124.599 PRESSAVG: 4695200 34.0091 -56.2507 -0.417591 -56.2507 16.674 16.5495 -0.417595 16.5495 18.519 GPRESSAVG: 4695200 35.424 -54.1496 0.627684 -56.1365 16.1732 15.3858 1.79189 16.6364 18.1368 TIMING: 4695200 CPU: 14921.2, 0.003193/step Wall: 14921.2, 0.003193/step, 0.270341 hours remaining, 239.125000 MB of memory in use. ENERGY: 4695200 3994.0278 20594.5837 14400.2437 249.7071 -203137.7345 2401.5224 0.0000 0.0000 52010.5864 -109487.0635 298.9056 -161497.6499 -109126.6306 298.7482 -100.1812 -68.6713 761350.8737 23.0674 23.2447 PRESSURE: 4695400 85.1186 221.406 -226.698 221.407 109.508 -40.4501 -226.698 -40.4496 -172.519 GPRESSURE: 4695400 147.619 313.003 -258.74 65.9461 75.0281 -162.517 -330.217 -174.754 -103.864 PRESSAVG: 4695400 79.7469 -2.26155 20.7879 -2.2616 -50.5991 -25.8578 20.788 -25.8578 -2.3003 GPRESSAVG: 4695400 79.9269 -1.61823 21.6212 -3.6464 -50.5889 -25.2761 18.1357 -27.3598 -2.00304 TIMING: 4695400 CPU: 14921.8, 0.00317274/step Wall: 14921.8, 0.00317274/step, 0.268449 hours remaining, 239.125000 MB of memory in use. ENERGY: 4695400 4026.9857 20582.2888 14480.3037 256.1331 -203562.8982 2754.6461 0.0000 0.0000 51959.2575 -109503.2832 298.6106 -161462.5408 -109152.3774 298.6760 7.3693 39.5945 761929.0172 8.9492 9.1117 PRESSURE: 4695600 -209.494 -173.329 -6.07045 -173.33 -137.879 6.66113 -6.07062 6.66149 80.8836 GPRESSURE: 4695600 -183.426 -120.984 -48.4277 -136.487 -121.238 58.9117 176.084 -64.2762 137.504 PRESSAVG: 4695600 23.7402 -15.0628 48.2085 -15.0628 -39.6476 30.7098 48.2084 30.7098 -7.15429 GPRESSAVG: 4695600 23.9365 -16.2443 47.0046 -12.114 -40.1738 32.9294 50.9217 27.5077 -6.88844 TIMING: 4695600 CPU: 14922.4, 0.00318275/step Wall: 14922.4, 0.00318275/step, 0.269119 hours remaining, 239.125000 MB of memory in use. ENERGY: 4695600 4076.2477 20562.0257 14389.1262 248.8406 -202518.7706 2144.8019 0.0000 0.0000 52018.9737 -109078.7549 298.9538 -161097.7285 -108724.1765 299.4192 -88.8297 -55.7199 762512.3713 -7.6872 -7.7086 PRESSURE: 4695800 48.3347 -104.788 98.1019 -104.788 -146.649 -64.6638 98.1016 -64.6619 -196.39 GPRESSURE: 4695800 66.639 -218.185 218.625 -69.682 -72.9137 -87.4872 55.7435 -97.668 -220.464 PRESSAVG: 4695800 13.2256 -4.8222 53.8973 -4.82213 -60.5787 -58.1678 53.8973 -58.1677 2.99241 GPRESSAVG: 4695800 11.7362 -4.55283 53.2854 -7.0974 -59.5605 -59.936 54.1661 -55.5549 3.11733 TIMING: 4695800 CPU: 14923.1, 0.00316143/step Wall: 14923.1, 0.00316143/step, 0.26714 hours remaining, 239.125000 MB of memory in use. ENERGY: 4695800 4052.3707 20633.2320 14420.3025 258.9892 -202957.9102 2360.3241 0.0000 0.0000 52331.7848 -108900.9069 300.7515 -161232.6917 -108532.6039 299.9169 -98.2345 -75.5795 762320.0398 -14.7869 -14.9023 PRESSURE: 4696000 95.7378 -62.555 293.26 -62.5554 -505.459 146.193 293.26 146.193 225.98 GPRESSURE: 4696000 120.707 -94.7288 254.489 41.0526 -347.891 244.377 257.044 12.5727 122.695 PRESSAVG: 4696000 -19.7579 -45.5823 59.2195 -45.5823 8.56273 1.31258 59.2195 1.31255 -27.1227 GPRESSAVG: 4696000 -19.1374 -44.2821 59.8739 -44.8756 8.93391 3.9865 58.3918 -1.74148 -27.1825 TIMING: 4696000 CPU: 14923.7, 0.00315837/step Wall: 14923.7, 0.00315837/step, 0.266707 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4696000 4024.3830 20373.2508 14418.0380 236.7392 -202993.1618 2618.4015 0.0000 0.0000 52372.5308 -108949.8184 300.9857 -161322.3492 -108584.6742 300.3667 -61.2469 -34.8296 762091.0576 -12.7726 -12.4620 PRESSURE: 4696200 335.41 -287.025 -140.771 -287.026 -127.547 69.6741 -140.771 69.6732 -33.5806 GPRESSURE: 4696200 356.636 -277.646 -93.5458 -257.547 -63.9317 38.9764 -86.3239 102.062 -34.9424 PRESSAVG: 4696200 96.1435 -8.6939 38.2197 -8.69393 -34.1673 12.3029 38.2198 12.303 -7.97905 GPRESSAVG: 4696200 96.5216 -8.83633 39.0047 -9.98841 -33.5263 10.4294 35.9307 14.0243 -8.18758 TIMING: 4696200 CPU: 14924.3, 0.00318555/step Wall: 14924.3, 0.00318555/step, 0.268825 hours remaining, 239.125000 MB of memory in use. ENERGY: 4696200 4095.6552 20773.5447 14481.0108 243.7536 -203221.9609 2485.6347 0.0000 0.0000 52074.1012 -109068.2607 299.2706 -161142.3619 -108711.3000 300.5607 58.0941 85.9205 759772.1795 17.9991 18.2693 LDB: ============= START OF LOAD BALANCING ============== 14936.7 LDB: ============== END OF LOAD BALANCING =============== 14936.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14936.7 LDB: ============= START OF LOAD BALANCING ============== 14937 LDB: Largest compute 7075 load 0.037003 is 18.9% of average load 0.196041 LDB: Average compute 0.004399 is 2.2% of average load 0.196041 LDB: TIME 14937 LOAD: AVG 0.196041 MAX 0.219864 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 14937 LOAD: AVG 0.196041 MAX 0.219864 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: TIME 14937 LOAD: AVG 0.196041 MAX 0.219864 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14937.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14937.1 PRESSURE: 4696400 8.2742 -136.463 40.5211 -136.464 -227.52 -38.0297 40.5206 -38.0294 87.4079 GPRESSURE: 4696400 59.1609 -109.042 38.5659 -143.455 -223.315 1.26605 -47.1325 -166.049 129.616 PRESSAVG: 4696400 6.98205 -55.6228 64.8795 -55.6227 -41.3636 43.8787 64.8795 43.8786 -8.24332 GPRESSAVG: 4696400 7.02649 -56.6242 62.3253 -54.6162 -41.8922 43.0588 67.8047 44.5838 -7.26299 TIMING: 4696400 CPU: 14925, 0.00324384/step Wall: 14925, 0.00324384/step, 0.273564 hours remaining, 240.410156 MB of memory in use. ENERGY: 4696400 3966.3472 20475.0174 14450.4733 239.5364 -203173.0037 2552.8082 0.0000 0.0000 52345.2530 -109143.5682 300.8289 -161488.8212 -108772.3165 300.1583 -43.9460 -11.5129 761229.3843 -14.2083 -14.0429 PRESSURE: 4696600 -85.9558 46.9271 83.113 46.9278 351.336 68.0897 83.1144 68.0896 384.617 GPRESSURE: 4696600 68.0226 -37.1164 74.5731 36.1628 341.483 129.604 111.461 -83.9237 317.79 PRESSAVG: 4696600 16.5757 -46.952 64.9699 -46.952 -41.4205 32.9665 64.9699 32.9665 19.2142 GPRESSAVG: 4696600 17.8793 -46.6552 67.2996 -48.0352 -42.8909 33.5876 61.4982 31.1452 18.927 TIMING: 4696600 CPU: 14925.6, 0.00318987/step Wall: 14925.6, 0.00318987/step, 0.268835 hours remaining, 240.613281 MB of memory in use. ENERGY: 4696600 3965.1734 20467.0623 14478.3040 237.5613 -203534.1139 2879.8894 0.0000 0.0000 52194.7871 -109311.3364 299.9642 -161506.1236 -108943.4474 299.9369 216.6656 242.4318 761900.7342 -1.8769 -2.0282 PRESSURE: 4696800 16.4261 16.9468 89.1732 16.9463 60.5513 36.6637 89.1738 36.6636 -459.373 GPRESSURE: 4696800 13.2317 123.304 54.6142 -45.3776 50.8092 82.6557 124.29 81.78 -343.403 PRESSAVG: 4696800 46.9815 -20.8518 52.5232 -20.8518 -23.91 -8.17729 52.5232 -8.17739 0.0738083 GPRESSAVG: 4696800 45.9417 -19.8404 51.4859 -20.5942 -22.9517 -8.51722 56.1981 -4.87544 0.48921 TIMING: 4696800 CPU: 14926.2, 0.00316456/step Wall: 14926.2, 0.00316455/step, 0.266526 hours remaining, 240.613281 MB of memory in use. ENERGY: 4696800 4010.3795 20501.6707 14390.8623 249.9354 -203316.9668 2639.1778 0.0000 0.0000 52039.8177 -109485.1234 299.0735 -161524.9412 -109118.0418 299.3098 -127.4652 -93.1207 762619.8575 7.7151 7.8264 PRESSURE: 4697000 23.0744 -113.118 -141.926 -113.118 -83.7154 -103.777 -141.927 -103.777 -351.56 GPRESSURE: 4697000 69.2687 -33.8445 -129.702 -169.852 -82.1025 -50.491 -198.934 -229.678 -300.423 PRESSAVG: 4697000 0.382059 -50.3452 -8.19014 -50.3452 6.0358 -23.3011 -8.19011 -23.3012 15.4295 GPRESSAVG: 4697000 1.27787 -49.9819 -7.43562 -50.2192 5.42791 -21.5942 -10.1927 -24.7538 14.9118 TIMING: 4697000 CPU: 14926.9, 0.00317563/step Wall: 14926.9, 0.00317563/step, 0.267282 hours remaining, 240.613281 MB of memory in use. ENERGY: 4697000 4025.4618 20530.9933 14380.0275 242.1013 -203540.9182 2683.7091 0.0000 0.0000 52253.5168 -109425.1085 300.3017 -161678.6252 -109069.7836 298.6095 -137.4004 -104.4191 763192.4093 7.2825 7.2058 PRESSURE: 4697200 -3.98424 -204.016 -88.7754 -204.016 32.0548 27.0333 -88.7757 27.0326 47.0652 GPRESSURE: 4697200 55.9385 -140.675 -152.783 -162.329 32.3165 14.3488 -76.9484 34.9188 71.8979 PRESSAVG: 4697200 42.151 -26.5441 26.5745 -26.5442 21.9291 -30.3473 26.5744 -30.3473 5.007 GPRESSAVG: 4697200 42.3026 -26.1891 26.5681 -27.4642 21.4671 -32.4631 28.6603 -28.2024 5.16034 TIMING: 4697200 CPU: 14927.5, 0.00317903/step Wall: 14927.5, 0.00317903/step, 0.267392 hours remaining, 240.613281 MB of memory in use. ENERGY: 4697200 3940.8040 20429.6524 14516.0271 234.2321 -203469.9368 2774.5222 0.0000 0.0000 52148.0942 -109426.6048 299.6958 -161574.6990 -109073.0933 299.3956 25.0453 53.3843 761989.2129 23.0290 22.9767 PRESSURE: 4697400 -272.648 -86.2582 -172.117 -86.2589 57.0948 58.5412 -172.117 58.5423 -161.063 GPRESSURE: 4697400 -308.674 -79.6173 -80.3534 -31.3426 142.948 31.9189 -233.766 162.788 -123.194 PRESSAVG: 4697400 53.1207 -50.1455 -11.8719 -50.1455 -39.8083 11.6376 -11.8719 11.6376 4.06796 GPRESSAVG: 4697400 52.6685 -49.5948 -12.3951 -48.6713 -38.8877 11.3505 -11.95 12.4444 3.3048 TIMING: 4697400 CPU: 14928.1, 0.00316765/step Wall: 14928.1, 0.00316765/step, 0.266258 hours remaining, 240.613281 MB of memory in use. ENERGY: 4697400 3909.7197 20739.0550 14422.5122 248.3343 -203065.5052 2609.4348 0.0000 0.0000 51879.6413 -109256.8079 298.1530 -161136.4492 -108889.7267 299.0965 -125.5385 -96.3067 762407.7307 5.7935 5.6952 PRESSURE: 4697600 83.2694 -5.54627 102.229 -5.5458 -96.4462 120.335 102.23 120.334 332.682 GPRESSURE: 4697600 99.9189 -56.8809 138.198 -17.1488 -15.7215 95.8788 -63.8704 154.187 313.888 PRESSAVG: 4697600 69.2971 -18.4539 32.5374 -18.4538 -82.0117 -11.5917 32.5374 -11.5917 -35.8801 GPRESSAVG: 4697600 68.3647 -21.1346 33.1948 -18.3702 -81.3592 -10.9468 31.4646 -13.3886 -35.5198 TIMING: 4697600 CPU: 14928.8, 0.00319662/step Wall: 14928.8, 0.00319662/step, 0.268516 hours remaining, 240.613281 MB of memory in use. ENERGY: 4697600 3998.8639 20607.5257 14456.0350 224.6476 -203282.6225 2550.0598 0.0000 0.0000 52168.9165 -109276.5741 299.8155 -161445.4906 -108907.6172 299.0354 106.5019 132.6951 762259.5104 -16.1982 -16.1714 PRESSURE: 4697800 -152.473 -164.495 13.5196 -164.493 -234.095 68.9818 13.5195 68.9813 -35.363 GPRESSURE: 4697800 -180.345 -203.62 74.1501 -172.712 -193.198 77.3674 143.253 97.6144 31.4537 PRESSAVG: 4697800 11.7116 -50.6092 2.4879 -50.6093 -15.1797 -10.0452 2.48789 -10.0452 12.6309 GPRESSAVG: 4697800 11.1486 -50.9477 1.23144 -50.083 -15.2615 -9.99582 2.08227 -10.4555 12.6799 TIMING: 4697800 CPU: 14929.4, 0.00315884/step Wall: 14929.4, 0.00315884/step, 0.265167 hours remaining, 240.613281 MB of memory in use. ENERGY: 4697800 4080.6496 20693.2760 14491.0929 242.8169 -203039.4448 2481.0845 0.0000 0.0000 51979.2324 -109071.2926 298.7254 -161050.5250 -108708.1117 299.7090 -140.6438 -114.0299 761961.8097 3.0543 2.8557 PRESSURE: 4698000 -215.428 141.867 174.39 141.868 -96.4325 350.803 174.39 350.803 -0.100372 GPRESSURE: 4698000 -144.666 165.605 84.8143 88.5251 -159.729 331.53 232.399 273.375 85.2442 PRESSAVG: 4698000 0.947481 -15.1923 -4.83228 -15.1922 32.026 7.01246 -4.83227 7.01246 4.77819 GPRESSAVG: 4698000 2.63105 -16.3691 -3.91527 -14.7167 30.1729 6.72142 -3.19985 7.63257 5.23587 TIMING: 4698000 CPU: 14930.1, 0.00317611/step Wall: 14930.1, 0.00317611/step, 0.266441 hours remaining, 240.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4698000 4041.6658 20603.9767 14454.9838 250.8393 -202813.0234 2503.7292 0.0000 0.0000 51806.9022 -109150.9263 297.7350 -160957.8285 -108787.5255 299.5604 -103.9869 -73.0502 762267.5630 12.5839 12.6799 PRESSURE: 4698200 -23.5028 -5.62711 51.8783 -5.62632 264.699 -117.886 51.8787 -117.887 178.389 GPRESSURE: 4698200 78.3647 9.97839 -14.4967 -13.4922 273.338 -150.017 -84.8142 -10.9159 130.834 PRESSAVG: 4698200 -21.4118 -17.5939 10.0458 -17.5939 12.4231 15.2414 10.0458 15.2414 12.0757 GPRESSAVG: 4698200 -21.3007 -14.999 10.6129 -19.5483 12.3127 16.2091 8.70963 16.0245 11.6129 TIMING: 4698200 CPU: 14930.7, 0.00319007/step Wall: 14930.7, 0.00319007/step, 0.267434 hours remaining, 240.613281 MB of memory in use. ENERGY: 4698200 3978.3360 20705.1303 14505.9238 257.5455 -203492.5139 2746.0515 0.0000 0.0000 52110.2584 -109189.2685 299.4784 -161299.5268 -108824.4543 299.7473 139.8618 160.8456 762784.5862 1.0290 0.8750 PRESSURE: 4698400 -230.134 83.2428 96.8773 83.2433 228.222 -169.036 96.8776 -169.036 -144.591 GPRESSURE: 4698400 -150.078 84.2821 64.5869 21.1734 291.59 -191.65 209.614 -163.094 -196.541 PRESSAVG: 4698400 18.7055 -50.9819 -1.79 -50.9819 27.1277 1.77131 -1.79004 1.77121 2.51845 GPRESSAVG: 4698400 19.4107 -51.8594 -3.51792 -51.5397 27.2868 1.69569 1.1549 -0.732131 1.83505 TIMING: 4698400 CPU: 14931.3, 0.0032101/step Wall: 14931.3, 0.0032101/step, 0.268935 hours remaining, 240.613281 MB of memory in use. ENERGY: 4698400 4030.5996 20439.3067 14505.0280 258.0606 -203641.1361 2955.4186 0.0000 0.0000 52118.8215 -109333.9011 299.5276 -161452.7225 -108969.8339 299.6492 -48.8344 -18.3430 761208.6138 16.1172 16.1775 PRESSURE: 4698600 78.1731 -39.118 83.2394 -39.1183 -37.2948 -62.2888 83.2385 -62.2885 -261.221 GPRESSURE: 4698600 23.0349 24.7476 80.6063 97.1664 27.9246 -17.6772 -85.2859 -84.7616 -205.184 PRESSAVG: 4698600 -3.3712 -13.6631 -28.4412 -13.6631 5.65062 -18.0759 -28.4412 -18.076 -13.2801 GPRESSAVG: 4698600 -3.39274 -11.2903 -28.8054 -12.1594 5.48267 -17.8566 -28.9036 -17.8144 -13.3119 TIMING: 4698600 CPU: 14932, 0.00319784/step Wall: 14932, 0.00319784/step, 0.26773 hours remaining, 240.613281 MB of memory in use. ENERGY: 4698600 3988.0942 20622.2953 14440.0332 254.4730 -203320.0216 2714.2003 0.0000 0.0000 52007.3113 -109293.6142 298.8867 -161300.9255 -108930.3012 299.5511 -73.4475 -51.4082 763497.8712 -3.6669 -3.7406 PRESSURE: 4698800 -6.27891 13.6463 -86.5956 13.6458 256.156 192.963 -86.5951 192.963 -186.723 GPRESSURE: 4698800 9.40116 83.3337 -136.729 -109.126 171.179 176.377 -86.1439 190.38 -36.295 PRESSAVG: 4698800 58.1677 -50.8758 -53.1529 -50.8758 -33.7204 -2.11432 -53.1529 -2.11423 12.2608 GPRESSAVG: 4698800 57.5246 -53.0072 -51.7614 -50.9959 -34.1369 -4.22067 -56.0529 -0.131421 13.0205 TIMING: 4698800 CPU: 14932.6, 0.00317841/step Wall: 14932.6, 0.00317841/step, 0.265927 hours remaining, 240.613281 MB of memory in use. ENERGY: 4698800 4042.6748 20581.2417 14517.4254 227.8446 -203204.4557 2574.6204 0.0000 0.0000 51978.7954 -109281.8534 298.7229 -161260.6488 -108920.5408 299.4482 21.0512 48.0950 760586.0221 12.2360 12.1361 PRESSURE: 4699000 175.467 -148.843 -41.4837 -148.843 238.092 -279.709 -41.4841 -279.709 514.699 GPRESSURE: 4699000 217.014 -122.476 -10.9368 -53.7433 268.306 -204.863 -25.1964 -164.961 532.748 PRESSAVG: 4699000 7.0571 -20.7043 -41.8823 -20.7043 40.3161 -35.0032 -41.8823 -35.0031 2.33152 GPRESSAVG: 4699000 6.98251 -20.5598 -41.8063 -19.9834 40.445 -33.1399 -39.7103 -35.6668 2.17504 TIMING: 4699000 CPU: 14933.2, 0.00316481/step Wall: 14933.2, 0.00316481/step, 0.264613 hours remaining, 240.613281 MB of memory in use. ENERGY: 4699000 4017.4296 20461.9935 14465.0271 257.1905 -203438.5862 2667.2134 0.0000 0.0000 52212.2352 -109357.4969 300.0644 -161569.7321 -108989.1837 299.5366 309.4190 339.3558 761534.1600 16.5682 16.5342 PRESSURE: 4699200 -163.267 -175.647 -89.3228 -175.649 102.662 -11.8822 -89.322 -11.8825 51.6301 GPRESSURE: 4699200 -118.514 -82.6111 -99.4816 -169.645 93.9123 9.94225 -167.312 0.436974 104.171 PRESSAVG: 4699200 26.3665 -28.9722 -43.5983 -28.9722 -53.1454 -52.53 -43.5983 -52.5299 -14.2161 GPRESSAVG: 4699200 25.5842 -28.9234 -42.6929 -29.2243 -52.607 -54.2631 -47.3004 -52.1074 -13.7806 TIMING: 4699200 CPU: 14933.9, 0.0031735/step Wall: 14933.9, 0.0031735/step, 0.265164 hours remaining, 240.613281 MB of memory in use. ENERGY: 4699200 3968.6261 20595.7661 14426.0728 231.9525 -203200.3120 2650.6751 0.0000 0.0000 52102.4513 -109224.7681 299.4335 -161327.2194 -108858.4297 299.2804 -2.9917 26.5230 762346.7868 -13.6650 -13.6011 PRESSURE: 4699400 -364.995 -98.6422 89.077 -98.6417 121.214 -130.378 89.077 -130.377 289.662 GPRESSURE: 4699400 -289.307 -246.297 171.65 -150.662 58.6039 -87.4787 116.564 -119.966 344.747 PRESSAVG: 4699400 115.595 -15.6233 -18.4732 -15.6233 -59.5148 -1.84679 -18.4732 -1.84673 14.6459 GPRESSAVG: 4699400 116.126 -15.1743 -19.5007 -18.0464 -59.8275 -0.861097 -16.0085 -2.09352 14.4011 TIMING: 4699400 CPU: 14934.5, 0.00321624/step Wall: 14934.5, 0.00321624/step, 0.268556 hours remaining, 240.613281 MB of memory in use. ENERGY: 4699400 4059.5394 20521.5328 14572.1608 248.2984 -203423.5090 2910.8149 0.0000 0.0000 51990.5143 -109120.6484 298.7902 -161111.1627 -108762.3590 299.8910 15.2936 38.0145 762438.0627 23.5754 23.5664 PRESSURE: 4699600 34.1883 67.5664 16.9756 67.5675 52.7392 -38.9683 16.9771 -38.9685 85.8193 GPRESSURE: 4699600 12.4232 -49.8043 -55.0499 102.147 162.174 83.1925 12.9703 -169.485 90.2507 PRESSAVG: 4699600 -28.4199 -4.43482 -22.8838 -4.43482 5.1213 -16.8575 -22.8839 -16.8575 2.97187 GPRESSAVG: 4699600 -29.3254 -4.47913 -23.8162 -3.54411 6.17022 -17.0831 -22.3004 -18.1182 2.86276 TIMING: 4699600 CPU: 14935.2, 0.00322697/step Wall: 14935.2, 0.00322697/step, 0.269272 hours remaining, 240.613281 MB of memory in use. ENERGY: 4699600 4004.6653 20610.1389 14494.5894 227.7682 -203207.4592 2659.6601 0.0000 0.0000 52093.5483 -109117.0890 299.3823 -161210.6374 -108761.3761 300.1210 57.5822 88.2826 762739.4627 -6.7756 -6.7641 PRESSURE: 4699800 -315.015 99.8491 261.874 99.8482 -27.1239 -102.092 261.873 -102.091 161.802 GPRESSURE: 4699800 -253.979 139.058 209.928 47.4703 -1.03802 -45.7968 289.204 -104.725 146.027 PRESSAVG: 4699800 -23.9423 -0.0107466 25.5958 -0.0108013 28.3695 3.75539 25.5957 3.75547 -3.66061 GPRESSAVG: 4699800 -23.6813 0.729163 27.3115 -0.26366 28.1278 3.03047 25.3023 5.09084 -3.74179 TIMING: 4699800 CPU: 14935.8, 0.00322423/step Wall: 14935.8, 0.00322423/step, 0.268865 hours remaining, 240.613281 MB of memory in use. ENERGY: 4699800 3950.1222 20632.2353 14478.3735 232.9718 -202787.0446 2144.8446 0.0000 0.0000 52005.6866 -109342.8106 298.8774 -161348.4972 -108989.8430 299.6356 -60.1124 -36.3300 763012.4964 0.2555 0.2349 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4700000 159.378 -18.7261 158.604 -18.7257 162.143 205.873 158.604 205.874 -130.621 GPRESSURE: 4700000 153.617 100.184 124.444 -11.7154 194.504 90.4387 123.267 254.204 -72.3807 PRESSAVG: 4700000 38.8278 -23.4623 25.2913 -23.4623 -11.6738 -22.3841 25.2913 -22.3841 -5.28558 GPRESSAVG: 4700000 39.0166 -23.8547 24.0001 -23.1826 -10.8231 -20.3706 25.121 -23.6263 -5.83827 TIMING: 4700000 CPU: 14936.5, 0.00328759/step Wall: 14936.5, 0.00328759/step, 0.273966 hours remaining, 240.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4700000 3993.6862 20509.3153 14481.8147 229.4427 -202979.2832 2415.3799 0.0000 0.0000 52022.0209 -109327.6236 298.9713 -161349.6445 -108966.1115 299.1963 63.6331 91.9131 761810.9322 7.2895 7.4518 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4700200 -96.4279 -125.566 205.987 -125.566 -80.0341 158.145 205.985 158.143 -71.0594 GPRESSURE: 4700200 -107.666 -102.263 137.913 -166.324 -66.8489 162.573 141.867 141.189 13.6098 PRESSAVG: 4700200 31.24 -65.9142 32.1361 -65.9142 -43.1757 -1.00293 32.1361 -1.00291 -10.3296 GPRESSAVG: 4700200 31.398 -65.702 33.7242 -65.5362 -43.6541 -2.38886 32.1036 1.52455 -10.3219 TIMING: 4700200 CPU: 14937.1, 0.00322494/step Wall: 14937.1, 0.00322494/step, 0.268566 hours remaining, 240.613281 MB of memory in use. ENERGY: 4700200 3993.7053 20452.3454 14460.1651 210.5895 -203164.5309 2537.5135 0.0000 0.0000 52173.7617 -109336.4504 299.8433 -161510.2120 -108981.8010 299.0790 -82.5071 -53.6349 763849.7919 -7.4218 -7.5260 LDB: ============= START OF LOAD BALANCING ============== 14949.5 LDB: ============== END OF LOAD BALANCING =============== 14949.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14949.5 LDB: ============= START OF LOAD BALANCING ============== 14949.8 LDB: Largest compute 7025 load 0.036005 is 18.4% of average load 0.195999 LDB: Average compute 0.004391 is 2.2% of average load 0.195999 LDB: TIME 14949.8 LOAD: AVG 0.195999 MAX 0.219818 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.172 MB LDB: TIME 14949.8 LOAD: AVG 0.195999 MAX 0.219818 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: TIME 14949.8 LOAD: AVG 0.195999 MAX 0.219818 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14949.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14949.8 PRESSURE: 4700400 202.131 -126.316 28.7127 -126.315 -319.604 184.722 28.7121 184.722 2.16645 GPRESSURE: 4700400 106.536 -17.8692 13.1342 -184.747 -191.451 199.107 60.4927 97.6864 48.1178 PRESSAVG: 4700400 14.0808 -29.1978 54.6283 -29.1978 53.3248 -16.4358 54.6283 -16.4358 2.88751 GPRESSAVG: 4700400 13.6629 -29.1386 52.9712 -28.0611 53.1336 -16.1764 55.022 -18.7896 3.59109 TIMING: 4700400 CPU: 14937.8, 0.00325203/step Wall: 14937.8, 0.00325203/step, 0.270641 hours remaining, 237.332031 MB of memory in use. ENERGY: 4700400 3912.2532 20705.7602 14397.5319 260.3217 -203065.2789 2438.1272 0.0000 0.0000 52123.6457 -109227.6391 299.5553 -161351.2847 -108856.7643 299.3386 -38.4358 -12.2657 762436.0738 23.4310 23.4625 PRESSURE: 4700600 -274.986 56.12 -12.1282 56.1203 -153.869 -71.7583 -12.1285 -71.7583 -77.1934 GPRESSURE: 4700600 -208.11 -119.218 66.4438 98.9932 -64.2936 -133.903 -86.7869 27.3494 -143.671 PRESSAVG: 4700600 39.9716 -52.2892 0.210525 -52.2892 -37.9992 -4.56846 0.210454 -4.5685 -3.74916 GPRESSAVG: 4700600 40.7088 -51.3074 0.487316 -54.923 -36.9951 -4.68976 -0.550211 -1.58611 -5.38384 TIMING: 4700600 CPU: 14938.4, 0.00317892/step Wall: 14938.4, 0.00317892/step, 0.26438 hours remaining, 237.332031 MB of memory in use. ENERGY: 4700600 4041.4023 20759.1968 14411.4903 260.2372 -202645.5495 2077.9016 0.0000 0.0000 51985.0525 -109110.2688 298.7588 -161095.3213 -108744.0514 300.2951 -168.6831 -138.6913 761916.0636 -0.5922 -0.5567 PRESSURE: 4700800 -82.7368 -24.0647 43.668 -24.065 294.225 -99.4314 43.6683 -99.4317 461.779 GPRESSURE: 4700800 -55.9617 6.54877 69.9947 -22.7834 242.337 -54.7702 -20.3817 -183.157 561.172 PRESSAVG: 4700800 -59.8253 -7.8182 29.1607 -7.81821 51.0282 7.98182 29.1607 7.98189 11.8544 GPRESSAVG: 4700800 -59.1826 -7.80699 27.8412 -6.20243 49.6521 9.51998 31.1657 6.12205 12.9405 TIMING: 4700800 CPU: 14939, 0.0031656/step Wall: 14939, 0.0031656/step, 0.263097 hours remaining, 237.332031 MB of memory in use. ENERGY: 4700800 4012.1059 20611.5783 14497.0180 280.2110 -202921.0768 2654.1766 0.0000 0.0000 52101.2559 -108764.7311 299.4266 -160865.9870 -108407.2763 300.2303 224.4226 249.1825 761590.0119 1.0191 1.1367 PRESSURE: 4701000 232.558 112.803 -219.963 112.803 -375.46 220.628 -219.964 220.628 -136.34 GPRESSURE: 4701000 210.837 82.9212 -169.74 42.7065 -254.521 208.979 -156.066 179.017 -158.528 PRESSAVG: 4701000 -25.1312 18.5345 41.8066 18.5345 -29.5144 -36.4864 41.8066 -36.4864 13.7082 GPRESSAVG: 4701000 -25.2269 18.5024 43.4227 18.1619 -29.4478 -38.3663 40.6028 -37.1766 13.7689 TIMING: 4701000 CPU: 14939.7, 0.00318008/step Wall: 14939.7, 0.00318009/step, 0.264124 hours remaining, 237.332031 MB of memory in use. ENERGY: 4701000 4060.4274 20519.2319 14520.2192 237.8210 -202968.5251 2399.3360 0.0000 0.0000 52203.2797 -109028.2099 300.0130 -161231.4896 -108667.0591 300.3697 -93.0807 -67.4040 762854.8868 -13.6458 -13.6353 PRESSURE: 4701200 -324.238 152.723 -85.8523 152.722 -3.37921 -89.649 -85.852 -89.6489 162.363 GPRESSURE: 4701200 -296.75 113.297 -73.7503 142.16 34.1984 -51.1188 -100.376 -11.0956 190.708 PRESSAVG: 4701200 66.7275 7.76077 15.4241 7.76077 -92.5361 -41.1066 15.4241 -41.1066 5.35443 GPRESSAVG: 4701200 66.4926 7.34308 15.7237 6.22556 -92.2204 -40.136 15.3544 -41.0248 5.62905 TIMING: 4701200 CPU: 14940.3, 0.00317293/step Wall: 14940.3, 0.00317293/step, 0.263353 hours remaining, 237.332031 MB of memory in use. ENERGY: 4701200 4032.3737 20498.2900 14473.2620 265.6298 -203200.2192 2548.8647 0.0000 0.0000 52348.0755 -109033.7234 300.8451 -161381.7989 -108662.8812 300.3702 -55.0849 -23.9480 762587.3956 -6.8181 -6.6996 PRESSURE: 4701400 -310.548 128.374 69.9318 128.374 -162.495 -239.267 69.932 -239.267 -118.071 GPRESSURE: 4701400 -268.978 184.123 82.8825 186.519 -90.2863 -180.435 116.696 -239.23 -138.146 PRESSAVG: 4701400 13.3885 13.6417 -8.45612 13.6417 -29.6498 -15.6889 -8.45615 -15.6889 -21.8007 GPRESSAVG: 4701400 11.9333 13.3016 -9.24959 14.037 -27.7398 -17.1694 -6.06798 -14.2926 -22.2879 TIMING: 4701400 CPU: 14940.9, 0.00316958/step Wall: 14940.9, 0.00316958/step, 0.262899 hours remaining, 237.332031 MB of memory in use. ENERGY: 4701400 3986.6313 20601.3438 14556.1082 266.9435 -203069.5412 2177.0266 0.0000 0.0000 52175.1595 -109306.3282 299.8514 -161481.4878 -108935.6781 299.8978 -197.0382 -165.8032 761996.4014 -12.6873 -12.6981 PRESSURE: 4701600 -200.713 127.059 258.651 127.059 -35.1195 20.7575 258.652 20.757 231.852 GPRESSURE: 4701600 -55.9334 143.607 216.392 86.644 34.9825 3.855 194.771 -34.3128 106.878 PRESSAVG: 4701600 -20.9566 23.4191 29.7732 23.419 17.6369 -22.1079 29.7732 -22.1079 4.37903 GPRESSAVG: 4701600 -20.9752 23.1473 30.9416 25.6364 18.2483 -22.1719 27.941 -23.0564 4.00853 TIMING: 4701600 CPU: 14941.6, 0.00317384/step Wall: 14941.6, 0.00317384/step, 0.263076 hours remaining, 237.332031 MB of memory in use. ENERGY: 4701600 3976.2508 20707.3475 14411.2860 255.5866 -203499.4409 2699.3956 0.0000 0.0000 52191.7745 -109257.7998 299.9468 -161449.5743 -108894.7334 299.4819 -1.3270 28.6423 760317.7910 0.3531 0.4272 PRESSURE: 4701800 201.812 46.6663 -96.12 46.6664 -56.1127 25.8131 -96.121 25.812 -51.5763 GPRESSURE: 4701800 303.982 -33.5851 -65.509 -81.5182 -126.821 36.0019 -75.1053 59.7763 -19.76 PRESSAVG: 4701800 54.7915 -19.1626 1.70794 -19.1627 -80.5308 -53.7797 1.70793 -53.7798 -10.3014 GPRESSAVG: 4701800 55.7798 -22.1854 1.13561 -18.6873 -81.8933 -53.4554 1.08526 -53.2619 -9.3079 TIMING: 4701800 CPU: 14942.2, 0.00317621/step Wall: 14942.2, 0.00317621/step, 0.263096 hours remaining, 237.332031 MB of memory in use. ENERGY: 4701800 4002.9960 20582.6839 14484.9589 231.4403 -203437.3893 2730.4116 0.0000 0.0000 52161.7812 -109243.1173 299.7745 -161404.8985 -108881.0417 299.4285 31.3745 52.4673 759908.9295 -12.0136 -11.8071 PRESSURE: 4702000 -248.101 239.036 224.996 239.037 -2.41053 -258.414 224.996 -258.415 -192.085 GPRESSURE: 4702000 -108.589 43.2217 126.653 157.112 -38.7283 -215.647 182.233 -216.557 -220.081 PRESSAVG: 4702000 58.9922 -11.9879 43.4358 -11.9879 -54.0779 18.0474 43.4357 18.0474 2.73936 GPRESSAVG: 4702000 60.5993 -7.84025 43.0792 -15.1787 -55.5158 18.6498 42.282 17.5258 3.12242 TIMING: 4702000 CPU: 14942.8, 0.0031746/step Wall: 14942.8, 0.0031746/step, 0.262786 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4702000 4072.3653 20799.3737 14469.8659 240.3829 -203315.9188 2526.2846 0.0000 0.0000 52033.7311 -109173.9154 299.0386 -161207.6465 -108810.4441 300.1664 -147.5322 -122.4661 762762.4947 2.5512 2.7353 PRESSURE: 4702200 -132.733 0.205744 14.9467 0.204486 0.232407 -30.4418 14.9466 -30.4417 45.1569 GPRESSURE: 4702200 -145.743 -28.1536 -122.971 -71.9897 99.9237 44.1352 -74.1685 -6.90213 47.9385 PRESSAVG: 4702200 -6.89388 -13.2456 14.8308 -13.2456 -1.71867 -2.72607 14.8309 -2.7261 -14.457 GPRESSAVG: 4702200 -7.91976 -15.67 14.843 -13.3911 0.230027 -4.13829 14.5065 -2.4894 -15.1559 TIMING: 4702200 CPU: 14943.5, 0.00315445/step Wall: 14943.5, 0.00315445/step, 0.260943 hours remaining, 237.332031 MB of memory in use. ENERGY: 4702200 4010.9771 20535.6910 14453.4138 253.0055 -203415.7862 2541.5532 0.0000 0.0000 52407.7157 -109213.4299 301.1879 -161621.1456 -108853.7186 299.7143 -29.1145 0.7063 761757.7346 -7.6898 -7.6152 PRESSURE: 4702400 20.9805 -146.388 93.6615 -146.387 57.8576 -78.3148 93.6606 -78.3145 642.917 GPRESSURE: 4702400 157.567 -54.7123 117.422 -117.819 47.5412 -90.4335 94.2842 -103.848 594.322 PRESSAVG: 4702400 17.8341 -22.2682 49.4497 -22.2682 -42.108 -33.7821 49.4497 -33.7821 19.3008 GPRESSAVG: 4702400 17.8982 -22.1664 49.3605 -22.0427 -41.5197 -32.5926 50.3021 -34.317 18.9053 TIMING: 4702400 CPU: 14944.1, 0.00316009/step Wall: 14944.1, 0.00316009/step, 0.261235 hours remaining, 237.332031 MB of memory in use. ENERGY: 4702400 4035.2757 20679.3445 14429.7972 238.2803 -203202.4510 2667.3835 0.0000 0.0000 52135.3241 -109017.0458 299.6224 -161152.3699 -108656.0213 299.9714 240.5851 266.4768 761254.0590 -1.6577 -1.5720 PRESSURE: 4702600 151.691 41.3682 -60.0462 41.3687 12.0885 102.921 -60.0468 102.92 -173.064 GPRESSURE: 4702600 166.081 106.761 -56.3807 91.2778 35.773 91.9839 -142.92 112.667 -108.516 PRESSAVG: 4702600 39.8815 -33.8035 8.8201 -33.8034 -60.4835 -47.59 8.82006 -47.59 0.803613 GPRESSAVG: 4702600 41.0142 -31.2134 8.61563 -34.3734 -62.6753 -48.973 9.14502 -47.843 2.1714 TIMING: 4702600 CPU: 14944.7, 0.00315956/step Wall: 14944.7, 0.00315956/step, 0.261015 hours remaining, 237.332031 MB of memory in use. ENERGY: 4702600 4094.9003 20578.0509 14480.0343 251.1438 -203190.6719 2523.8667 0.0000 0.0000 52101.5407 -109161.1350 299.4283 -161262.6758 -108798.8849 300.0069 -3.0949 31.1124 759534.7397 -6.5994 -6.4966 PRESSURE: 4702800 297.92 -62.6723 85.8268 -62.6721 -188.079 -42.7478 85.8278 -42.747 -372.048 GPRESSURE: 4702800 307.986 -123.984 105.592 -89.4723 -152.468 -140.686 -96.6678 76.695 -343.463 PRESSAVG: 4702800 38.6427 -112.123 28.5893 -112.123 -44.8757 -18.6338 28.5893 -18.6338 -0.570939 GPRESSAVG: 4702800 37.1648 -113.382 30.4209 -112.219 -43.9556 -18.2473 28.9381 -18.8451 -0.135217 TIMING: 4702800 CPU: 14945.4, 0.00316442/step Wall: 14945.4, 0.00316442/step, 0.26124 hours remaining, 237.332031 MB of memory in use. ENERGY: 4702800 4039.5995 20541.3756 14498.2881 225.1283 -203512.9617 2661.3177 0.0000 0.0000 52176.3801 -109370.8723 299.8584 -161547.2524 -109006.4228 299.7116 -87.4024 -62.6482 760954.6014 -2.2680 -2.3087 PRESSURE: 4703000 392.634 178.604 130.831 178.604 274.847 -43.2562 130.83 -43.2568 46.4502 GPRESSURE: 4703000 412.342 322.126 77.328 150.815 340.427 -20.9043 130.672 -56.0527 58.5267 PRESSAVG: 4703000 76.0442 -53.7282 -8.33873 -53.7282 -66.0303 -3.92997 -8.33867 -3.93002 -0.177506 GPRESSAVG: 4703000 77.5602 -55.5934 -10.9293 -52.1029 -65.7641 -3.66757 -7.23717 -4.2053 -1.56213 TIMING: 4703000 CPU: 14946, 0.0031997/step Wall: 14946, 0.0031997/step, 0.263975 hours remaining, 237.332031 MB of memory in use. ENERGY: 4703000 4009.4730 20703.5207 14426.1414 263.2068 -203672.8802 2740.8567 0.0000 0.0000 51952.7637 -109576.9180 298.5732 -161529.6816 -109213.1842 300.0833 237.9770 270.4317 758621.8826 3.2788 3.4113 PRESSURE: 4703200 -321.183 6.3026 47.265 6.30305 -227.638 88.798 47.2649 88.7967 68.6755 GPRESSURE: 4703200 -190.616 24.2022 96.932 -61.9324 -193.607 105.075 122.293 7.83654 -10.4392 PRESSAVG: 4703200 62.6924 7.57085 18.1571 7.57083 -27.5849 -32.9276 18.1571 -32.9276 23.1906 GPRESSAVG: 4703200 61.1504 8.5931 21.0332 7.25284 -26.7222 -32.1355 13.8043 -32.6906 23.2206 TIMING: 4703200 CPU: 14946.6, 0.00318616/step Wall: 14946.6, 0.00318616/step, 0.262681 hours remaining, 237.332031 MB of memory in use. ENERGY: 4703200 4025.2999 20490.9524 14489.2204 268.3664 -203116.9194 2194.7861 0.0000 0.0000 51987.0441 -109661.2502 298.7703 -161648.2943 -109301.1501 299.1192 -160.0485 -131.5541 760499.5038 19.4327 19.2163 PRESSURE: 4703400 -86.114 66.6258 -239.957 66.6255 -422.455 -32.8563 -239.956 -32.8566 -114.489 GPRESSURE: 4703400 -87.3571 -34.1094 -178.701 79.1836 -319.093 -124.379 -110.026 82.6115 -137.24 PRESSAVG: 4703400 75.1682 3.96806 -7.78363 3.96796 -54.5795 35.1087 -7.78367 35.1087 1.52198 GPRESSAVG: 4703400 77.1522 2.64859 -8.19282 6.38708 -56.4103 32.6185 -4.5958 37.2311 1.64193 TIMING: 4703400 CPU: 14947.3, 0.00319631/step Wall: 14947.3, 0.00319631/step, 0.26334 hours remaining, 237.332031 MB of memory in use. ENERGY: 4703400 4066.0276 20745.6760 14412.1481 256.5126 -203191.2553 2242.1202 0.0000 0.0000 51901.8374 -109566.9334 298.2806 -161468.7708 -109203.3311 299.0837 -207.6860 -181.2299 760405.7174 7.3702 7.4613 PRESSURE: 4703600 43.1148 -13.0244 -5.59311 -13.0244 -196.37 -74.5169 -5.59274 -74.5178 -125.937 GPRESSURE: 4703600 15.7236 -27.3116 -81.6058 -56.6841 -69.2182 -83.8438 -74.1227 -130.536 -120.262 PRESSAVG: 4703600 8.00954 -9.50966 -54.3553 -9.50967 -16.7634 11.1068 -54.3554 11.1068 10.3844 GPRESSAVG: 4703600 7.00744 -8.30196 -56.0149 -12.4045 -15.35 10.8114 -54.7985 10.7102 10.1677 TIMING: 4703600 CPU: 14947.9, 0.00318597/step Wall: 14947.9, 0.00318597/step, 0.262312 hours remaining, 237.332031 MB of memory in use. ENERGY: 4703600 3915.9959 20538.6929 14438.1491 251.1584 -203238.7548 2363.4239 0.0000 0.0000 52170.3919 -109560.9428 299.8240 -161731.3346 -109208.3261 298.7646 -93.0641 -57.9188 759542.6557 0.5435 0.6084 PRESSURE: 4703800 -1.75385 148.242 -17.1925 148.242 -11.148 11.035 -17.1928 11.035 -318.015 GPRESSURE: 4703800 44.8086 36.4171 -51.0595 73.0334 -68.3065 -11.7343 59.7273 0.744442 -226.956 PRESSAVG: 4703800 19.2757 -37.3963 6.36284 -37.3962 -32.3087 2.05894 6.36285 2.0589 8.54683 GPRESSAVG: 4703800 19.8893 -36.7238 6.90455 -37.7308 -34.8013 2.69821 6.13493 1.84896 9.79427 TIMING: 4703800 CPU: 14948.6, 0.00321415/step Wall: 14948.6, 0.00321415/step, 0.264453 hours remaining, 237.332031 MB of memory in use. ENERGY: 4703800 4001.2778 20424.6121 14495.9920 248.8119 -203760.7750 2757.3528 0.0000 0.0000 52409.9414 -109422.7870 301.2007 -161832.7284 -109048.0525 299.7893 -110.3055 -83.4847 760428.4024 -1.4954 -1.7059 PRESSURE: 4704000 -200.463 -9.5321 -152.395 -9.53086 -264.57 -204.95 -152.396 -204.949 -132.081 GPRESSURE: 4704000 -191.418 146.208 -94.5564 12.4302 -223.216 -153.098 -188.449 -228.489 -87.637 PRESSAVG: 4704000 -67.4147 -28.849 9.21032 -28.849 39.4554 -3.77092 9.21032 -3.77099 -5.56856 GPRESSAVG: 4704000 -67.9237 -29.8021 9.21972 -26.8182 41.0642 -1.76867 8.64994 -3.51679 -6.70264 TIMING: 4704000 CPU: 14949.2, 0.00320163/step Wall: 14949.2, 0.00320163/step, 0.263245 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4704000 4019.4187 20602.0908 14466.3723 253.4705 -202942.9763 2143.8561 0.0000 0.0000 52082.3711 -109375.3968 299.3181 -161457.7679 -109008.3562 299.2897 -199.0382 -167.4236 762112.4104 -11.1759 -11.1874 PRESSURE: 4704200 149.998 -183.637 -199.432 -183.635 151.499 -110.91 -199.432 -110.91 162.287 GPRESSURE: 4704200 224.185 -240.748 -228.05 -123.878 181.216 8.67543 -163.39 -92.7286 147.981 PRESSAVG: 4704200 31.43 -60.7021 -48.8341 -60.7021 -2.807 -15.3644 -48.8341 -15.3644 6.42069 GPRESSAVG: 4704200 30.7288 -59.842 -48.4617 -63.3771 -1.53016 -15.5908 -48.2962 -15.9659 5.8907 TIMING: 4704200 CPU: 14949.8, 0.00319941/step Wall: 14949.8, 0.00319941/step, 0.262885 hours remaining, 237.332031 MB of memory in use. ENERGY: 4704200 3983.4768 20521.6903 14475.8537 229.9134 -203351.7045 2695.4448 0.0000 0.0000 51904.6836 -109540.6420 298.2969 -161445.3256 -109173.1954 299.4022 154.5948 184.4607 759898.0226 11.6812 11.6965 LDB: ============= START OF LOAD BALANCING ============== 14962.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14962.3 LDB: =============== DONE WITH MIGRATION ================ 14962.3 LDB: ============= START OF LOAD BALANCING ============== 14962.6 LDB: Largest compute 7077 load 0.036081 is 18.4% of average load 0.195981 LDB: Average compute 0.004414 is 2.3% of average load 0.195981 LDB: TIME 14962.6 LOAD: AVG 0.195981 MAX 0.217688 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 14962.6 LOAD: AVG 0.195981 MAX 0.217688 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 14962.6 LOAD: AVG 0.195981 MAX 0.217688 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 14962.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14962.6 PRESSURE: 4704400 121.825 -162.371 -199.744 -162.371 -386.603 -31.4882 -199.744 -31.4883 -170.615 GPRESSURE: 4704400 156.701 -163.613 -203.718 -183.53 -366.778 -35.7086 -100.853 -3.1552 -119.232 PRESSAVG: 4704400 -2.49419 -1.79914 -41.4412 -1.79913 -27.8945 -26.8925 -41.4412 -26.8926 6.37474 GPRESSAVG: 4704400 -0.842252 -2.33697 -40.3026 -0.646383 -29.4225 -28.6489 -42.8264 -25.7965 6.69385 TIMING: 4704400 CPU: 14950.5, 0.00326212/step Wall: 14950.5, 0.00326212/step, 0.267856 hours remaining, 237.843750 MB of memory in use. ENERGY: 4704400 4017.5809 20426.1924 14454.3635 259.4532 -202954.3142 2376.9886 0.0000 0.0000 51960.4138 -109459.3218 298.6172 -161419.7356 -109091.8625 299.2567 -145.1309 -109.7698 760438.0377 -8.0046 -7.8570 PRESSURE: 4704600 91.8613 -29.4115 289.15 -29.4104 123.979 -243.73 289.151 -243.731 17.0957 GPRESSURE: 4704600 93.4098 -79.0055 299.744 99.8061 159.95 -180.594 257.959 -314.898 65.6672 PRESSAVG: 4704600 -24.8457 -15.1285 -15.0294 -15.1284 -16.4963 8.36866 -15.0294 8.36873 21.1373 GPRESSAVG: 4704600 -25.361 -13.6509 -16.8913 -16.0738 -16.2446 9.01694 -12.2402 8.88873 21.5366 TIMING: 4704600 CPU: 14951.1, 0.00318511/step Wall: 14951.1, 0.00318511/step, 0.261356 hours remaining, 237.843750 MB of memory in use. ENERGY: 4704600 3942.7382 20604.4912 14424.9950 242.4545 -203129.0291 2431.2563 0.0000 0.0000 52084.6840 -109398.4099 299.3314 -161483.0939 -109032.7153 299.4160 77.6453 106.3424 759222.5461 -6.7349 -6.6897 PRESSURE: 4704800 -126.731 65.048 42.01 65.0469 45.1309 -30.6089 42.0096 -30.6096 26.7868 GPRESSURE: 4704800 -56.1927 257.481 28.9596 28.2989 7.10178 5.48503 -8.50775 28.5893 57.5313 PRESSAVG: 4704800 23.6844 -38.2593 7.99564 -38.2594 -24.5724 20.2878 7.99572 20.2878 -22.1254 GPRESSAVG: 4704800 22.1746 -40.6084 8.63107 -36.7787 -23.2765 19.2635 8.65751 20.1214 -22.272 TIMING: 4704800 CPU: 14951.8, 0.0031686/step Wall: 14951.8, 0.0031686/step, 0.259825 hours remaining, 237.843750 MB of memory in use. ENERGY: 4704800 3951.2581 20639.0255 14460.0277 246.9712 -203052.2087 2344.2898 0.0000 0.0000 51974.1003 -109436.5360 298.6959 -161410.6363 -109070.2817 299.7879 -18.2712 2.8135 759485.6207 -7.6711 -7.7913 PRESSURE: 4705000 50.3214 45.0673 17.0728 45.0673 -22.9451 -115.838 17.0727 -115.837 39.0817 GPRESSURE: 4705000 106.002 -24.5026 22.3037 25.1109 78.7603 -94.939 -100.851 -88.5376 -28.4697 PRESSAVG: 4705000 60.6214 -18.1548 -35.1506 -18.1547 -37.5397 1.48826 -35.1506 1.48821 16.5594 GPRESSAVG: 4705000 60.8788 -14.7102 -35.8919 -20.5138 -37.9302 2.28183 -37.1419 1.7642 17.2819 TIMING: 4705000 CPU: 14952.4, 0.00318635/step Wall: 14952.4, 0.00318635/step, 0.261104 hours remaining, 237.843750 MB of memory in use. ENERGY: 4705000 4001.7089 20579.4733 14472.4239 255.0750 -203320.3841 2629.9435 0.0000 0.0000 52140.9938 -109240.7657 299.6550 -161381.7595 -108878.9094 300.2876 22.1527 52.0975 759388.3658 13.2137 13.4102 PRESSURE: 4705200 16.1858 -25.3827 111.346 -25.3822 177.426 185.177 111.346 185.177 -124.615 GPRESSURE: 4705200 61.751 26.9749 60.7793 -10.7548 151.382 113.19 32.9616 185.428 -53.1718 PRESSAVG: 4705200 55.911 -35.1926 -49.1802 -35.1926 -84.3218 -24.3106 -49.1803 -24.3106 0.0351689 GPRESSAVG: 4705200 56.1278 -36.9208 -48.3529 -33.2647 -84.7483 -22.4044 -48.2582 -26.0875 0.264614 TIMING: 4705200 CPU: 14953, 0.00317429/step Wall: 14953, 0.00317429/step, 0.259939 hours remaining, 237.843750 MB of memory in use. ENERGY: 4705200 4033.7878 20684.1637 14457.0647 259.8245 -203595.7060 2657.1895 0.0000 0.0000 52360.0740 -109143.6018 300.9141 -161503.6758 -108788.9348 299.9780 22.9989 53.3203 760845.1661 -9.4586 -9.4520 PRESSURE: 4705400 227.371 -90.859 119.797 -90.8586 32.9896 174.275 119.797 174.275 -104.059 GPRESSURE: 4705400 243.466 -120.044 55.3187 -50.9183 82.0114 34.5626 131.372 219.783 -65.0359 PRESSAVG: 4705400 78.8901 -20.5053 49.5637 -20.5053 -20.6851 -12.5437 49.5637 -12.5437 19.4007 GPRESSAVG: 4705400 79.6571 -19.4334 49.3859 -20.4372 -21.3212 -16.5969 50.0395 -10.8953 19.3801 TIMING: 4705400 CPU: 14953.7, 0.00318731/step Wall: 14953.7, 0.00318731/step, 0.260829 hours remaining, 237.843750 MB of memory in use. ENERGY: 4705400 4081.8404 20789.0633 14416.2070 233.3906 -203595.3833 2779.8259 0.0000 0.0000 51998.0532 -109297.0029 298.8335 -161295.0561 -108935.7611 300.2005 52.1006 86.8140 759348.6779 25.8686 25.9053 PRESSURE: 4705600 50.6851 66.3724 -29.0075 66.3715 251.401 131.701 -29.0071 131.702 308.054 GPRESSURE: 4705600 80.5659 137.501 -69.5476 23.944 274.071 200.979 18.368 63.0596 342.675 PRESSAVG: 4705600 95.6044 -37.4574 -12.3784 -37.4575 -70.1023 19.989 -12.3784 19.9889 -0.328527 GPRESSAVG: 4705600 96.437 -40.2771 -13.437 -37.6876 -69.6837 22.6603 -11.4968 17.5072 -1.79768 TIMING: 4705600 CPU: 14954.3, 0.00319469/step Wall: 14954.3, 0.00319469/step, 0.261254 hours remaining, 237.843750 MB of memory in use. ENERGY: 4705600 3950.9210 20479.5324 14507.6072 272.8649 -203444.8859 2491.3576 0.0000 0.0000 52355.5590 -109387.0438 300.8881 -161742.6028 -109014.7565 299.6342 203.3800 232.4375 760502.9608 8.3912 8.3185 PRESSURE: 4705800 89.0796 -132.091 60.9888 -132.092 174.659 129.458 60.9885 129.458 353.389 GPRESSURE: 4705800 165.315 -161.874 1.75706 -89.188 156.501 119.326 -62.0426 158.999 379 PRESSAVG: 4705800 37.9225 -31.5199 -18.2561 -31.5199 -25.1227 10.5308 -18.2561 10.5308 47.3602 GPRESSAVG: 4705800 37.2733 -29.9209 -17.9915 -29.2607 -23.8731 10.1833 -18.3409 11.3246 46.9051 TIMING: 4705800 CPU: 14955, 0.00318316/step Wall: 14955, 0.00318316/step, 0.260135 hours remaining, 237.843750 MB of memory in use. ENERGY: 4705800 4053.6471 20593.4759 14495.0029 241.1052 -203408.3839 2633.6868 0.0000 0.0000 51884.5547 -109506.9112 298.1812 -161391.4659 -109149.0726 299.5460 205.7092 233.6054 758328.0481 20.0533 20.1018 PRESSURE: 4706000 -395.351 -43.2056 59.1546 -43.2054 -351.067 -29.707 59.154 -29.7068 -79.9785 GPRESSURE: 4706000 -316.295 -58.9065 -46.8165 3.13532 -331.867 -70.6013 49.6176 -89.6862 -108.548 PRESSAVG: 4706000 70.3412 17.642 9.83377 17.642 -76.4636 48.6003 9.83377 48.6003 18.5998 GPRESSAVG: 4706000 70.0389 18.4767 10.9138 15.4336 -77.7078 48.582 10.0923 48.9162 19.6222 TIMING: 4706000 CPU: 14955.6, 0.00319858/step Wall: 14955.6, 0.00319858/step, 0.261217 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4706000 4037.0524 20677.7519 14334.1931 246.1934 -203100.7759 2093.1480 0.0000 0.0000 52001.9898 -109710.4472 298.8562 -161712.4370 -109356.8512 299.3428 -275.4655 -252.2365 759256.4134 4.1591 3.9844 PRESSURE: 4706200 128.284 215.881 -279.728 215.883 12.5127 -90.949 -279.729 -90.949 407.965 GPRESSURE: 4706200 252.741 129.529 -241.781 193.105 41.2905 -103.62 -78.4606 -110.556 349.237 PRESSAVG: 4706200 66.4348 33.5669 8.1338 33.5669 -58.4061 9.78127 8.13385 9.78121 8.94194 GPRESSAVG: 4706200 67.8581 32.0573 7.48827 33.767 -58.8663 9.68944 7.30181 9.88218 8.05429 TIMING: 4706200 CPU: 14956.2, 0.00320301/step Wall: 14956.2, 0.00320301/step, 0.261401 hours remaining, 237.843750 MB of memory in use. ENERGY: 4706200 3880.7454 20520.6233 14389.4273 257.7971 -203261.6411 2420.2319 0.0000 0.0000 51886.9329 -109905.8832 298.1949 -161792.8161 -109539.2863 298.6860 182.9206 214.4226 760085.3065 5.6569 5.6820 PRESSURE: 4706400 66.7524 22.1763 147.07 22.1758 -208.296 -102.498 147.069 -102.499 -46.1818 GPRESSURE: 4706400 79.8042 -130.754 207.22 42.4074 -179.862 -106.782 86.4879 -115.127 -11.2893 PRESSAVG: 4706400 35.3291 -3.44457 -23.8625 -3.44448 -43.3385 -12.9456 -23.8624 -12.9456 0.499947 GPRESSAVG: 4706400 33.687 -4.18895 -24.1579 -4.53295 -42.9766 -13.3967 -23.7205 -12.6737 0.825127 TIMING: 4706400 CPU: 14956.9, 0.00324196/step Wall: 14956.9, 0.00324196/step, 0.2644 hours remaining, 237.843750 MB of memory in use. ENERGY: 4706400 3964.1564 20528.2288 14531.1755 243.7534 -203693.2476 2591.9179 0.0000 0.0000 52033.8916 -109800.1240 299.0395 -161834.0156 -109441.7664 298.8480 -62.5752 -37.1158 760385.3938 -2.5031 -2.8215 PRESSURE: 4706600 96.5919 116.024 225.614 116.024 87.3756 299.425 225.614 299.424 99.9526 GPRESSURE: 4706600 139.263 193.363 196.087 69.1444 126.668 285.648 140.653 300.9 103.638 PRESSAVG: 4706600 -30.5081 18.0071 -36.2056 18.007 43.7449 -16.5906 -36.2057 -16.5906 -1.21116 GPRESSAVG: 4706600 -31.6174 16.6861 -35.996 17.7944 43.6851 -17.2722 -37.008 -16.6195 0.13297 TIMING: 4706600 CPU: 14957.5, 0.00318973/step Wall: 14957.5, 0.00318973/step, 0.259963 hours remaining, 237.843750 MB of memory in use. ENERGY: 4706600 3922.4007 20559.9081 14473.0132 232.0144 -203613.1436 2753.4152 0.0000 0.0000 52057.8441 -109614.5479 299.1771 -161672.3921 -109254.9866 299.2046 94.6400 123.1898 761361.3431 4.0085 4.0669 PRESSURE: 4706800 15.3773 -235.168 187.484 -235.168 38.1853 -69.2377 187.484 -69.2377 14.9921 GPRESSURE: 4706800 57.3921 -232.784 145.925 -59.5033 85.7754 -100.347 19.87 -91.8389 -4.01635 PRESSAVG: 4706800 16.478 -18.8824 89.6301 -18.8824 1.02598 -5.45095 89.6301 -5.45098 39.1283 GPRESSAVG: 4706800 17.851 -18.615 87.1138 -16.375 0.294262 -3.40967 90.2025 -5.87921 38.0688 TIMING: 4706800 CPU: 14958.2, 0.00318781/step Wall: 14958.2, 0.00318781/step, 0.259629 hours remaining, 237.843750 MB of memory in use. ENERGY: 4706800 4058.4008 20449.7151 14522.9118 216.2179 -203368.5682 2585.8172 0.0000 0.0000 52231.4792 -109304.0262 300.1750 -161535.5054 -108931.8780 299.2528 22.8516 46.3837 762354.5982 18.8774 18.7380 PRESSURE: 4707000 99.2471 -230.435 -320.554 -230.435 -125.38 87.529 -320.554 87.5286 -205.98 GPRESSURE: 4707000 304.35 -242.701 -290.841 -173.494 -229.581 74.66 -383.524 150.597 -246.696 PRESSAVG: 4707000 17.7521 -36.824 48.7974 -36.824 -22.7955 -30.2901 48.7974 -30.29 24.3766 GPRESSAVG: 4707000 17.2917 -32.9311 50.2925 -38.3184 -22.6367 -32.0935 47.1682 -30.1596 24.6079 TIMING: 4707000 CPU: 14958.8, 0.00321329/step Wall: 14958.8, 0.00321329/step, 0.261526 hours remaining, 237.843750 MB of memory in use. ENERGY: 4707000 3963.1890 20463.1010 14499.7764 236.6090 -203107.5167 2337.0703 0.0000 0.0000 52138.3566 -109469.4145 299.6399 -161607.7711 -109107.3866 299.2067 -77.3709 -57.3092 761925.4039 6.4444 6.4210 PRESSURE: 4707200 -129.983 -58.4807 333.454 -58.4811 -123.769 -118.928 333.454 -118.928 157.999 GPRESSURE: 4707200 -34.929 39.6271 381.281 -0.00300722 -70.5581 -42.4563 264.099 -122.796 101.427 PRESSAVG: 4707200 1.16306 -4.7174 -10.4149 -4.71738 -43.0764 -9.3919 -10.4149 -9.39195 -4.95263 GPRESSAVG: 4707200 2.73472 -7.75966 -10.4779 -2.9532 -43.7936 -9.12961 -10.6206 -9.62579 -5.83194 TIMING: 4707200 CPU: 14959.4, 0.00317589/step Wall: 14959.4, 0.00317589/step, 0.258306 hours remaining, 237.843750 MB of memory in use. ENERGY: 4707200 4014.1850 20494.7124 14509.9583 248.8396 -203110.6799 2244.7605 0.0000 0.0000 52094.5651 -109503.6589 299.3882 -161598.2241 -109144.0028 299.1512 -31.9178 -1.3533 760087.0866 -15.6220 -15.6303 PRESSURE: 4707400 -106.998 47.6481 58.5564 47.648 -12.9564 -64.1427 58.5569 -64.1429 133.668 GPRESSURE: 4707400 -114.484 -37.2477 111.096 -33.4873 12.1482 -84.3557 87.9451 -17.2628 213.82 PRESSAVG: 4707400 13.7026 42.4585 45.9115 42.4585 -40.3765 -65.8382 45.9115 -65.8382 -16.2861 GPRESSAVG: 4707400 13.048 42.3972 44.8781 40.6895 -40.2314 -66.1374 48.6085 -63.3916 -15.4294 TIMING: 4707400 CPU: 14960.1, 0.00319852/step Wall: 14960.1, 0.00319852/step, 0.259969 hours remaining, 237.843750 MB of memory in use. ENERGY: 4707400 4068.1238 20435.1755 14407.6870 236.6057 -203348.4355 2531.3339 0.0000 0.0000 52021.3116 -109648.1981 298.9672 -161669.5096 -109295.8027 299.0699 4.5712 37.1614 761153.2254 -14.3200 -14.2043 PRESSURE: 4707600 59.5136 -81.3872 -123.332 -81.3862 129.413 -56.5523 -123.333 -56.5519 43.861 GPRESSURE: 4707600 102.228 -81.6866 -83.9985 -84.0398 188.43 -32.0548 -69.7228 -90.0746 22.3604 PRESSAVG: 4707600 43.7893 14.1083 -5.86688 14.1084 -28.4072 -19.6024 -5.86688 -19.6025 -3.01735 GPRESSAVG: 4707600 43.0193 14.1671 -5.62935 13.7079 -27.0477 -19.4365 -6.40817 -20.3246 -3.78176 TIMING: 4707600 CPU: 14960.7, 0.00321757/step Wall: 14960.7, 0.00321757/step, 0.261338 hours remaining, 237.843750 MB of memory in use. ENERGY: 4707600 4016.9972 20448.3388 14444.1552 240.3104 -203553.7910 2788.6840 0.0000 0.0000 52154.8193 -109460.4861 299.7345 -161615.3053 -109098.3568 299.5014 77.5958 104.3395 761138.5748 4.1216 4.0633 PRESSURE: 4707800 213.231 24.3825 -59.8482 24.3819 -190.529 112.524 -59.8493 112.524 281.468 GPRESSURE: 4707800 222.566 83.4969 -35.4044 44.1818 -91.0337 105.93 3.74906 154.825 268.323 PRESSAVG: 4707800 54.9273 -5.07159 32.4768 -5.07161 -15.9588 -49.3462 32.4767 -49.3461 2.70736 GPRESSAVG: 4707800 56.1285 -3.78041 32.6095 -3.76188 -18.4103 -48.3064 33.6631 -50.7041 3.57915 TIMING: 4707800 CPU: 14961.4, 0.00322019/step Wall: 14961.4, 0.00322019/step, 0.261372 hours remaining, 237.843750 MB of memory in use. ENERGY: 4707800 3973.5946 20628.1517 14382.6500 242.1930 -203279.5590 2626.9423 0.0000 0.0000 51876.8331 -109549.1942 298.1369 -161426.0273 -109196.0784 299.2384 101.3899 133.2850 760830.4515 13.8919 13.7658 PRESSURE: 4708000 -200.465 70.2081 18.778 70.2073 -31.6595 239.67 18.7776 239.67 171.578 GPRESSURE: 4708000 -150.732 -64.8022 41.6062 119.087 13.2335 239.316 -74.3518 75.9058 157.967 PRESSAVG: 4708000 102.948 -79.7931 7.44523 -79.7931 -80.8436 4.13981 7.44521 4.13984 11.2715 GPRESSAVG: 4708000 101.051 -80.2151 7.62006 -80.9627 -78.6803 3.068 6.02116 4.12963 10.8853 TIMING: 4708000 CPU: 14962, 0.00322119/step Wall: 14962, 0.00322119/step, 0.261275 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4708000 4046.2109 20483.7822 14477.5614 251.1636 -203605.6678 2771.7845 0.0000 0.0000 52114.3521 -109460.8131 299.5019 -161575.1653 -109105.5483 299.4665 -20.1822 6.8228 761018.8358 11.1252 11.0852 PRESSURE: 4708200 97.2636 169.532 -43.7966 169.532 9.49787 -182.551 -43.7967 -182.55 50.4591 GPRESSURE: 4708200 49.8144 169.278 20.4049 105.225 109.621 -214.335 -79.6087 -109.334 94.0726 PRESSAVG: 4708200 19.9453 19.4361 28.2879 19.4361 31.2394 -81.8093 28.2879 -81.8093 14.2353 GPRESSAVG: 4708200 21.1031 20.0974 28.3111 17.5139 29.6846 -81.4864 26.2086 -82.1404 14.8977 TIMING: 4708200 CPU: 14962.6, 0.00319719/step Wall: 14962.6, 0.00319719/step, 0.25915 hours remaining, 237.843750 MB of memory in use. ENERGY: 4708200 3991.7867 20509.3731 14501.9659 255.2098 -202827.0167 2213.5325 0.0000 0.0000 51974.5971 -109380.5515 298.6987 -161355.1487 -109018.4071 299.2226 52.4068 84.5027 760426.6097 21.8067 21.8951 LDB: ============= START OF LOAD BALANCING ============== 14975.1 LDB: ============== END OF LOAD BALANCING =============== 14975.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14975.1 LDB: ============= START OF LOAD BALANCING ============== 14975.4 LDB: Largest compute 7067 load 0.037374 is 19.1% of average load 0.195878 LDB: Average compute 0.004409 is 2.3% of average load 0.195878 LDB: TIME 14975.4 LOAD: AVG 0.195878 MAX 0.225377 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 14975.4 LOAD: AVG 0.195878 MAX 0.225377 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.164 MB LDB: TIME 14975.4 LOAD: AVG 0.195878 MAX 0.225377 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14975.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14975.4 PRESSURE: 4708400 -169.084 32.8289 -100.492 32.8294 92.9058 -137.122 -100.493 -137.122 -299.623 GPRESSURE: 4708400 -33.691 -12.0748 -18.4352 -49.5582 85.3481 -156.329 -48.5281 -21.0334 -347.31 PRESSAVG: 4708400 -6.78847 -4.37243 3.90846 -4.37243 26.661 -36.9379 3.90838 -36.9379 -13.9754 GPRESSAVG: 4708400 -8.3096 -5.51096 4.59837 -3.69579 28.4255 -37.741 6.11126 -35.9611 -14.4741 TIMING: 4708400 CPU: 14963.3, 0.00329112/step Wall: 14963.3, 0.00329112/step, 0.266581 hours remaining, 238.101562 MB of memory in use. ENERGY: 4708400 3999.3695 20545.7620 14524.9969 252.3033 -203608.0202 2597.2520 0.0000 0.0000 52348.7980 -109339.5385 300.8493 -161688.3365 -108973.8168 299.6515 -125.2668 -98.5510 760904.4953 1.9657 1.8806 PRESSURE: 4708600 -343.114 -31.1304 -139.063 -31.1304 -170.336 194.63 -139.062 194.631 -554.142 GPRESSURE: 4708600 -298.662 60.6298 -104.065 -21.5197 -145.579 285.346 -218.08 177.415 -531.795 PRESSAVG: 4708600 -55.1876 -54.1252 3.10233 -54.1253 2.95058 -1.00631 3.10231 -1.00631 -0.497208 GPRESSAVG: 4708600 -54.9587 -53.9065 2.09824 -54.1685 1.99536 -1.75858 3.67013 -1.43007 -0.22673 TIMING: 4708600 CPU: 14963.9, 0.00319215/step Wall: 14963.9, 0.00319215/step, 0.258387 hours remaining, 238.101562 MB of memory in use. ENERGY: 4708600 4044.0672 20292.9192 14454.2943 245.2930 -203096.0678 2380.3258 0.0000 0.0000 52226.6539 -109452.5144 300.1473 -161679.1682 -109079.2877 299.8022 -355.8639 -325.3453 761099.8036 -17.5781 -17.7300 PRESSURE: 4708800 238.704 -45.9532 242.31 -45.9532 3.54142 241.88 242.31 241.88 -373.707 GPRESSURE: 4708800 208.244 -11.5393 265.871 -43.9924 135.249 263.455 185.473 211.456 -391.406 PRESSAVG: 4708800 0.604001 -17.5112 2.38903 -17.5112 -21.1521 -16.3113 2.38903 -16.3113 -2.46172 GPRESSAVG: 4708800 0.826898 -18.0006 3.31239 -15.5457 -21.955 -14.9352 2.25702 -16.2118 -2.05674 TIMING: 4708800 CPU: 14964.6, 0.00320907/step Wall: 14964.6, 0.00320907/step, 0.259578 hours remaining, 238.101562 MB of memory in use. ENERGY: 4708800 3997.6514 20542.8304 14507.9909 262.9900 -203624.1797 2660.1158 0.0000 0.0000 52278.7011 -109373.9000 300.4464 -161652.6011 -109016.3379 300.3953 -43.8204 -15.9710 763011.9800 -7.6699 -7.7283 PRESSURE: 4709000 47.8603 -67.6484 86.3933 -67.6479 -225.857 -94.8265 86.3936 -94.8274 -290.341 GPRESSURE: 4709000 65.2447 -103.819 135.027 10.5695 -230.994 -103.714 87.5754 -1.76332 -226.646 PRESSAVG: 4709000 -19.7639 6.79408 -1.4701 6.79407 -16.2162 -6.95574 -1.47021 -6.95575 3.54879 GPRESSAVG: 4709000 -20.0432 6.90819 -0.58127 5.93641 -14.8765 -7.27277 -2.3388 -6.89133 2.85738 TIMING: 4709000 CPU: 14965.2, 0.00319628/step Wall: 14965.2, 0.00319628/step, 0.258366 hours remaining, 238.101562 MB of memory in use. ENERGY: 4709000 3962.8070 20490.0701 14483.8347 235.5436 -203089.4567 2388.1604 0.0000 0.0000 52092.0448 -109436.9960 299.3737 -161529.0407 -109073.9934 299.6319 -156.1124 -130.7984 761614.6122 -10.8104 -10.6874 PRESSURE: 4709200 -81.6615 -34.2936 79.5769 -34.2929 -156.817 -216.184 79.5771 -216.185 -20.998 GPRESSURE: 4709200 -73.1188 -58.5524 86.2577 57.3549 -104.411 -123.122 62.5946 -214.441 -15.631 PRESSAVG: 4709200 31.2264 -0.224008 41.8699 -0.224012 -72.1544 -20.4472 41.8699 -20.4472 9.3699 GPRESSAVG: 4709200 30.8159 -1.23841 40.2445 0.913661 -72.0563 -20.4943 43.2458 -19.9802 9.45801 TIMING: 4709200 CPU: 14965.9, 0.00322122/step Wall: 14965.9, 0.00322122/step, 0.260203 hours remaining, 238.101562 MB of memory in use. ENERGY: 4709200 4021.8374 20505.8527 14485.5082 248.7602 -203206.7380 2586.1587 0.0000 0.0000 51912.6289 -109445.9920 298.3426 -161358.6210 -109087.5685 299.6647 -86.4922 -64.3868 760220.0722 -10.5194 -10.5941 PRESSURE: 4709400 -201.381 -55.2792 8.92274 -55.2785 64.7102 -62.3299 8.92221 -62.3309 -260.215 GPRESSURE: 4709400 -218.306 -90.1059 45.931 -5.06031 138.713 -60.5938 67.7972 -241.635 -239.775 PRESSAVG: 4709400 -9.50328 -21.5696 37.9306 -21.5696 5.60997 -10.4956 37.9306 -10.4956 2.4989 GPRESSAVG: 4709400 -9.51464 -21.2069 38.5606 -23.525 5.35217 -9.63302 37.3319 -14.8503 2.64185 TIMING: 4709400 CPU: 14966.5, 0.00321921/step Wall: 14966.5, 0.00321921/step, 0.259862 hours remaining, 238.101562 MB of memory in use. ENERGY: 4709400 3944.6233 20530.0904 14418.9062 249.0456 -203254.3901 2526.4793 0.0000 0.0000 52112.9287 -109472.3167 299.4937 -161585.2454 -109112.6640 299.5023 -132.2953 -106.4562 760558.0774 -0.4648 -0.5069 PRESSURE: 4709600 -76.7779 74.9539 0.108426 74.9527 -152.589 -28.6876 0.108478 -28.6879 -213.704 GPRESSURE: 4709600 -35.9898 56.1854 -71.28 88.507 -134.954 8.21461 -119.489 90.8543 -170.878 PRESSAVG: 4709600 11.2707 -45.1032 10.2197 -45.1032 28.9569 -22.9188 10.2197 -22.9189 -2.27871 GPRESSAVG: 4709600 11.813 -44.2669 10.5093 -44.0662 30.9158 -23.2517 9.45232 -18.877 -4.08885 TIMING: 4709600 CPU: 14967.2, 0.0031926/step Wall: 14967.2, 0.0031926/step, 0.257537 hours remaining, 238.101562 MB of memory in use. ENERGY: 4709600 4035.3206 20436.4796 14458.4639 238.3979 -203285.2649 2561.1490 0.0000 0.0000 52005.1030 -109550.3509 298.8740 -161555.4539 -109186.9993 299.3267 -147.6904 -113.9408 761544.8553 12.6496 12.8800 PRESSURE: 4709800 -30.2105 116.044 66.1428 116.043 -90.337 -68.6043 66.143 -68.6043 -204.818 GPRESSURE: 4709800 31.8442 66.6171 124.478 167.856 -108.305 -6.42693 16.0168 -160.753 -209.126 PRESSAVG: 4709800 4.52716 -25.3271 21.2325 -25.3272 -8.00183 -55.0859 21.2325 -55.0859 7.11871 GPRESSAVG: 4709800 3.83347 -28.3162 21.6147 -24.5497 -8.56481 -55.0672 22.6242 -55.2238 8.20996 TIMING: 4709800 CPU: 14967.8, 0.00320942/step Wall: 14967.8, 0.00320942/step, 0.258715 hours remaining, 238.101562 MB of memory in use. ENERGY: 4709800 3963.3883 20570.5165 14472.5072 264.8650 -202839.8295 2152.6434 0.0000 0.0000 51949.9987 -109465.9104 298.5574 -161415.9091 -109113.0011 299.4265 -108.4552 -95.1956 760688.6741 1.2147 1.1595 PRESSURE: 4710000 -208.953 -75.5041 89.2829 -75.504 -170.547 -170.308 89.2836 -170.307 34.0677 GPRESSURE: 4710000 -195.274 -175.026 14.5838 -34.0284 -150.846 -130.408 3.97356 -122.257 103.068 PRESSAVG: 4710000 -21.55 2.7464 -20.8982 2.74641 25.765 14.6239 -20.8982 14.6239 10.2554 GPRESSAVG: 4710000 -20.364 5.03889 -20.6726 3.10901 25.191 14.1625 -21.9496 13.7645 10.3022 TIMING: 4710000 CPU: 14968.4, 0.0032053/step Wall: 14968.4, 0.0032053/step, 0.258205 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4710000 4087.7496 20477.4750 14374.0472 243.2728 -202787.6805 2334.1781 0.0000 0.0000 51956.2371 -109314.7207 298.5932 -161270.9578 -108963.9781 299.1825 -115.1441 -81.0171 759398.6355 4.8234 5.0431 PRESSURE: 4710200 222.758 53.869 -145.705 53.8694 -31.6325 64.4119 -145.704 64.4117 -134.645 GPRESSURE: 4710200 215.283 -40.6095 -71.8445 124.623 54.92 43.8137 -72.2639 106.74 -123.504 PRESSAVG: 4710200 43.5908 -49.4486 62.1323 -49.4486 -35.5561 -3.65519 62.1323 -3.65513 12.6863 GPRESSAVG: 4710200 43.192 -49.1129 61.3953 -52.2266 -36.0399 -3.24371 62.0256 -5.71923 13.6947 TIMING: 4710200 CPU: 14969.1, 0.00321569/step Wall: 14969.1, 0.00321569/step, 0.258863 hours remaining, 238.101562 MB of memory in use. ENERGY: 4710200 3999.3598 20413.6281 14412.6859 241.8581 -202473.4771 2126.8610 0.0000 0.0000 52342.2871 -108936.7970 300.8118 -161279.0842 -108568.7799 300.3446 18.8268 48.8998 762132.2730 6.9070 6.9489 PRESSURE: 4710400 208.542 -89.8372 200.511 -89.8374 -5.57588 72.1695 200.511 72.1686 -153.273 GPRESSURE: 4710400 187.631 -40.228 179.394 -133.553 85.0122 -6.36399 279.812 23.3 -93.0125 PRESSAVG: 4710400 14.0331 -16.1658 -27.0791 -16.1659 -34.8247 54.0513 -27.0791 54.0514 -3.83428 GPRESSAVG: 4710400 13.5151 -15.8507 -26.5781 -14.9853 -33.8206 53.7387 -27.1417 55.7964 -4.28511 TIMING: 4710400 CPU: 14969.7, 0.00321291/step Wall: 14969.7, 0.00321291/step, 0.258461 hours remaining, 238.101562 MB of memory in use. ENERGY: 4710400 4024.6527 20311.8799 14479.9323 252.4201 -203183.9170 2560.3144 0.0000 0.0000 52423.0674 -109131.6502 301.2761 -161554.7176 -108764.3640 300.1825 16.5643 59.8768 760669.9888 -8.2086 -8.1969 PRESSURE: 4710600 207.508 -78.0413 -33.7124 -78.0421 -74.0698 -38.8839 -33.7119 -38.8832 53.5271 GPRESSURE: 4710600 198.876 -22.7915 12.2652 -117.373 3.67989 8.55377 -129.826 14.5366 73.3333 PRESSAVG: 4710600 -5.32299 -14.3538 -14.848 -14.3538 -10.4385 22.6084 -14.848 22.6084 -0.861804 GPRESSAVG: 4710600 -5.42866 -15.2493 -16.0317 -13.7535 -9.25223 22.2641 -15.5235 25.2275 -1.57804 TIMING: 4710600 CPU: 14970.4, 0.00320722/step Wall: 14970.4, 0.00320722/step, 0.257825 hours remaining, 238.101562 MB of memory in use. ENERGY: 4710600 3938.2796 20197.6061 14468.6456 237.5548 -202840.8206 2341.2891 0.0000 0.0000 52292.6587 -109364.7866 300.5266 -161657.4453 -108989.4978 299.2319 62.3216 91.9630 760880.6494 -5.5411 -5.4196 PRESSURE: 4710800 6.12224 -51.0556 72.6695 -51.056 251.914 -43.7018 72.6703 -43.7011 284.151 GPRESSURE: 4710800 113.898 -8.58143 48.5054 40.2172 256.262 7.55661 35.6256 52.0262 239.927 PRESSAVG: 4710800 25.7043 -22.2587 59.8104 -22.2587 10.8587 5.31266 59.8105 5.31259 -9.52401 GPRESSAVG: 4710800 26.7819 -21.6305 61.2172 -19.5265 9.92583 4.92158 60.1014 3.95096 -9.80652 TIMING: 4710800 CPU: 14971, 0.00318096/step Wall: 14971, 0.00318096/step, 0.255537 hours remaining, 238.101562 MB of memory in use. ENERGY: 4710800 3920.8371 20376.6579 14567.9472 250.1351 -203170.7552 2625.7112 0.0000 0.0000 52021.4804 -109407.9863 298.9682 -161429.4668 -109052.6155 299.3999 180.7291 203.3626 759481.9105 9.0130 8.9671 PRESSURE: 4711000 -145.02 -91.3931 -23.3477 -91.393 6.43339 265.282 -23.3484 265.284 112.272 GPRESSURE: 4711000 -47.7538 -31.4841 15.9303 -76.5182 60.3835 216.035 0.318277 32.7569 44.6316 PRESSAVG: 4711000 12.9798 -15.7433 -42.5767 -15.7434 -16.8082 -57.4349 -42.5767 -57.4349 7.29936 GPRESSAVG: 4711000 12.8762 -15.921 -43.0474 -17.8342 -17.6836 -56.6619 -44.3821 -60.956 8.31743 TIMING: 4711000 CPU: 14971.6, 0.00316937/step Wall: 14971.6, 0.00316937/step, 0.25443 hours remaining, 238.101562 MB of memory in use. ENERGY: 4711000 3894.1929 20513.2407 14538.3508 238.4109 -202829.1145 2243.2788 0.0000 0.0000 51999.7286 -109401.9117 298.8432 -161401.6403 -109041.2865 299.1926 -8.7713 19.0871 761517.9791 1.1570 1.1700 PRESSURE: 4711200 239.89 -77.3413 -132.623 -77.3415 460.69 44.5601 -132.624 44.5601 31.884 GPRESSURE: 4711200 298.34 -136.903 -117.355 -49.65 471.755 94.6704 -130.492 43.7592 55.5771 PRESSAVG: 4711200 27.9367 -11.3542 -53.7178 -11.3543 6.51909 5.38133 -53.7178 5.38137 -16.8499 GPRESSAVG: 4711200 27.4375 -12.4996 -52.7186 -9.98525 7.98378 6.35137 -50.83 5.32065 -17.5479 TIMING: 4711200 CPU: 14972.3, 0.00319882/step Wall: 14972.3, 0.00319882/step, 0.256616 hours remaining, 238.101562 MB of memory in use. ENERGY: 4711200 3949.4510 20380.3182 14427.9060 247.5454 -203403.5402 2786.8567 0.0000 0.0000 52190.9772 -109420.4858 299.9423 -161611.4630 -109066.2834 299.0349 244.1545 275.2240 760345.5069 5.8686 5.9578 PRESSURE: 4711400 462.561 -87.6369 85.0569 -87.6367 67.4932 -103.717 85.0575 -103.715 145.711 GPRESSURE: 4711400 507.839 -175.668 122.233 -87.1245 49.8321 -153.009 196.73 -17.4979 217.904 PRESSAVG: 4711400 13.838 -31.8479 -31.671 -31.8479 -20.0676 -9.02371 -31.6711 -9.02369 -21.0093 GPRESSAVG: 4711400 13.1976 -30.1335 -33.2345 -34.7985 -20.1152 -10.2477 -32.7938 -5.50315 -20.7152 TIMING: 4711400 CPU: 14972.9, 0.00323183/step Wall: 14972.9, 0.00323183/step, 0.259085 hours remaining, 238.101562 MB of memory in use. ENERGY: 4711400 3952.6841 20567.7287 14451.0692 221.1391 -203231.2835 2786.2771 0.0000 0.0000 51814.8112 -109437.5740 297.7804 -161252.3852 -109083.9108 299.1442 225.2549 258.5250 761407.9496 -9.0796 -9.2109 PRESSURE: 4711600 -76.672 -45.6992 44.5972 -45.6981 43.5185 19.8111 44.5965 19.8118 146.968 GPRESSURE: 4711600 -50.9622 -50.8391 36.2952 -90.173 72.5086 -10.3045 72.7228 81.1733 163.214 PRESSAVG: 4711600 16.5608 -27.2274 -0.989051 -27.2274 -0.908534 -77.57 -0.989062 -77.5699 4.66773 GPRESSAVG: 4711600 17.2653 -27.607 -1.07567 -26.8833 -1.47994 -78.2821 -1.21721 -77.545 4.92695 TIMING: 4711600 CPU: 14973.6, 0.00320939/step Wall: 14973.6, 0.00320939/step, 0.257107 hours remaining, 238.101562 MB of memory in use. ENERGY: 4711600 3958.2527 20456.1687 14491.8583 247.1064 -203028.7967 2501.4816 0.0000 0.0000 51900.6002 -109473.3287 298.2735 -161373.9289 -109114.7282 298.7624 37.9381 61.5868 762558.4464 6.7733 6.9041 PRESSURE: 4711800 73.2839 55.5899 -115.317 55.5905 260.803 52.6201 -115.316 52.6204 178.627 GPRESSURE: 4711800 181.029 3.14481 -44.5866 -10.0132 290.618 20.8629 -155.102 89.4316 132.212 PRESSAVG: 4711800 -17.8228 4.66599 -39.9209 4.66601 12.6764 -20.233 -39.9209 -20.233 4.16981 GPRESSAVG: 4711800 -18.3673 3.46727 -36.9113 5.0518 12.5604 -17.7089 -42.5249 -24.4503 4.83758 TIMING: 4711800 CPU: 14974.2, 0.00317284/step Wall: 14974.2, 0.00317284/step, 0.254003 hours remaining, 238.101562 MB of memory in use. ENERGY: 4711800 3972.1212 20438.6536 14428.9907 243.9454 -203321.2798 2955.9389 0.0000 0.0000 51967.5788 -109314.0510 298.6584 -161281.6299 -108955.1411 299.0289 170.9046 201.2862 762997.0942 -0.3255 -0.3231 PRESSURE: 4712000 31.9455 145.25 -20.6504 145.25 55.9918 113.348 -20.6517 113.349 678.23 GPRESSURE: 4712000 55.2682 69.1301 -94.1218 223.019 167.368 136.554 -48.0095 105.324 645.573 PRESSAVG: 4712000 27.5849 -4.25977 44.3991 -4.25976 1.66995 12.5194 44.399 12.5194 2.5389 GPRESSAVG: 4712000 27.5958 -2.85568 41.8023 -2.76037 3.33899 11.1225 46.9525 16.0296 1.11754 TIMING: 4712000 CPU: 14974.8, 0.00319739/step Wall: 14974.8, 0.00319739/step, 0.255791 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4712000 4031.7131 20431.8390 14415.5060 236.5192 -203283.0960 2787.4008 0.0000 0.0000 51920.4269 -109459.6910 298.3874 -161380.1179 -109094.8367 298.9245 255.3890 289.4033 763006.9650 10.5979 10.6841 PRESSURE: 4712200 254.187 -214.748 -230.139 -214.748 120.908 -18.4947 -230.139 -18.4936 64.9941 GPRESSURE: 4712200 188.029 -125.816 -196.152 -243.918 180.641 -21.9329 -120.472 33.387 144.474 PRESSAVG: 4712200 -12.2308 -22.3782 1.78483 -22.3782 -13.4988 44.3263 1.78479 44.3263 -11.619 GPRESSAVG: 4712200 -11.7063 -22.327 1.82225 -23.1534 -14.5819 45.3619 2.17848 43.9577 -11.3837 TIMING: 4712200 CPU: 14975.5, 0.00318562/step Wall: 14975.5, 0.00318562/step, 0.254673 hours remaining, 238.101562 MB of memory in use. ENERGY: 4712200 3955.4489 20510.0172 14361.3321 243.8507 -203504.8713 2827.7330 0.0000 0.0000 52011.0378 -109595.4517 298.9081 -161606.4895 -109234.7977 298.3234 146.6963 171.0481 762304.6408 -12.4495 -12.5573 LDB: ============= START OF LOAD BALANCING ============== 14987.9 LDB: ============== END OF LOAD BALANCING =============== 14987.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14987.9 LDB: ============= START OF LOAD BALANCING ============== 14988.2 LDB: Largest compute 7026 load 0.035852 is 18.3% of average load 0.196045 LDB: Average compute 0.004391 is 2.2% of average load 0.196045 LDB: TIME 14988.2 LOAD: AVG 0.196045 MAX 0.226762 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 241.18 MB LDB: TIME 14988.2 LOAD: AVG 0.196045 MAX 0.226762 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.25 MB LDB: TIME 14988.2 LOAD: AVG 0.196045 MAX 0.226762 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14988.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14988.2 PRESSURE: 4712400 307.521 -18.9357 24.1709 -18.9366 -16.8564 80.3063 24.1718 80.3066 -347.762 GPRESSURE: 4712400 335.938 -69.4605 51.7619 62.6145 -4.21064 113.069 -16.0992 66.5829 -311.619 PRESSAVG: 4712400 41.846 -14.801 -18.765 -14.801 -10.1015 -1.94677 -18.7651 -1.94684 -3.25797 GPRESSAVG: 4712400 41.3444 -15.3213 -19.115 -14.6102 -10.1194 -3.15358 -18.457 -2.23313 -2.89902 TIMING: 4712400 CPU: 14976.1, 0.00325064/step Wall: 14976.1, 0.00325064/step, 0.25969 hours remaining, 238.410156 MB of memory in use. ENERGY: 4712400 3993.0122 20612.2109 14420.7492 248.0523 -203415.0961 2550.4550 0.0000 0.0000 52075.9282 -109514.6884 299.2811 -161590.6165 -109168.4576 298.9292 -19.0322 6.7028 762441.5805 9.4955 9.4420 PRESSURE: 4712600 328.989 -124.211 -4.82887 -124.21 -110.478 161.019 -4.82941 161.02 -536.36 GPRESSURE: 4712600 329.544 -94.6911 53.1838 -286.882 -11.4077 155.769 -262.646 171.701 -558.252 PRESSAVG: 4712600 -1.43002 -28.4885 48.633 -28.4885 -39.5657 -13.0838 48.633 -13.0839 11.174 GPRESSAVG: 4712600 -0.542474 -29.0011 48.8609 -27.8943 -39.6115 -14.2242 45.6902 -10.5821 10.3794 TIMING: 4712600 CPU: 14976.8, 0.00318569/step Wall: 14976.8, 0.00318569/step, 0.254324 hours remaining, 238.410156 MB of memory in use. ENERGY: 4712600 4033.3556 20677.5162 14435.3099 248.1617 -203766.4921 2798.0970 0.0000 0.0000 52056.2182 -109517.8335 299.1678 -161574.0517 -109148.6041 299.0937 -105.9496 -80.0384 761059.8077 -9.9406 -9.9249 PRESSURE: 4712800 -132.95 -28.7501 87.9776 -28.7495 -7.96161 -251.312 87.9771 -251.312 -537.253 GPRESSURE: 4712800 59.4125 28.6763 106.816 -79.8932 -163.075 -236.586 34.5592 -272.778 -476.713 PRESSAVG: 4712800 -7.07682 -19.3271 3.4368 -19.3271 0.652281 -10.0948 3.43684 -10.0949 -32.8345 GPRESSAVG: 4712800 -6.80665 -18.2785 2.25665 -20.137 -0.509342 -9.51804 6.55618 -12.5732 -31.473 TIMING: 4712800 CPU: 14977.4, 0.00318904/step Wall: 14977.4, 0.00318904/step, 0.254415 hours remaining, 238.410156 MB of memory in use. ENERGY: 4712800 4057.0309 20595.8423 14511.4608 233.1772 -203736.5353 2655.2230 0.0000 0.0000 52050.8085 -109632.9925 299.1367 -161683.8010 -109274.0001 299.0826 -226.0548 -193.4585 760875.4471 -13.0864 -12.9297 PRESSURE: 4713000 448.573 -62.0599 -122.694 -62.0601 -2.66862 -8.71561 -122.693 -8.71549 101.551 GPRESSURE: 4713000 387.101 -137.305 -64.7553 -92.1928 88.5098 -19.9251 -170.537 20.3949 143.572 PRESSAVG: 4713000 67.6048 -10.6919 2.426 -10.692 -53.6927 -15.5297 2.42603 -15.5297 15.0583 GPRESSAVG: 4713000 67.7209 -11.7401 3.92297 -10.8299 -51.8625 -15.4985 2.80679 -15.6316 12.7739 TIMING: 4713000 CPU: 14978, 0.00318905/step Wall: 14978, 0.00318906/step, 0.254239 hours remaining, 238.410156 MB of memory in use. ENERGY: 4713000 3952.4844 20367.5894 14530.2169 264.4507 -203329.3354 2464.6509 0.0000 0.0000 51998.5332 -109751.4098 298.8363 -161749.9430 -109369.5973 298.7157 182.4850 206.3942 760888.1155 9.6568 9.5441 PRESSURE: 4713200 101.075 44.9215 21.2928 44.9217 64.8326 36.4639 21.2937 36.4644 32.882 GPRESSURE: 4713200 183.67 -13.0347 120.313 201.68 40.4559 -5.11845 -37.7979 72.2072 61.4533 PRESSAVG: 4713200 11.338 -15.128 -35.5183 -15.1279 -71.2847 -38.0829 -35.5182 -38.0829 -18.6355 GPRESSAVG: 4713200 10.0645 -14.575 -35.4673 -15.3181 -70.143 -36.5183 -35.4384 -37.5847 -18.3586 TIMING: 4713200 CPU: 14978.7, 0.00317529/step Wall: 14978.7, 0.00317529/step, 0.252965 hours remaining, 238.410156 MB of memory in use. ENERGY: 4713200 4003.1103 20546.6330 14510.7848 263.7972 -203491.5363 2565.8080 0.0000 0.0000 52004.4686 -109596.9345 298.8704 -161601.4030 -109243.8591 298.8039 66.2631 95.1931 760780.7950 -26.1941 -26.1457 PRESSURE: 4713400 72.9682 125.395 119.234 125.395 -34.463 -123.698 119.235 -123.696 258.501 GPRESSURE: 4713400 182.332 62.9079 90.1387 105.834 -28.7132 -134.265 28.3473 -62.9296 229.701 PRESSAVG: 4713400 25.526 51.1545 -61.4067 51.1545 1.60909 -18.1537 -61.4066 -18.1537 -8.51345 GPRESSAVG: 4713400 25.4265 51.0849 -63.0842 51.3208 1.7823 -20.0456 -62.278 -17.1345 -8.01922 TIMING: 4713400 CPU: 14979.3, 0.0031824/step Wall: 14979.3, 0.0031824/step, 0.253354 hours remaining, 238.410156 MB of memory in use. ENERGY: 4713400 3979.6652 20534.1696 14399.9821 259.7286 -203418.7422 2404.8316 0.0000 0.0000 52349.6335 -109490.7317 300.8541 -161840.3652 -109123.0760 299.4766 99.0020 127.7730 759741.8402 6.2072 6.3965 PRESSURE: 4713600 32.354 24.3966 -195.682 24.3962 215.738 177.573 -195.68 177.572 -221.223 GPRESSURE: 4713600 133.958 117.393 -86.8147 -38.6001 131.745 133.641 -151.915 188.177 -172.303 PRESSAVG: 4713600 66.4917 48.8291 -22.1891 48.8291 -35.8905 9.30124 -22.1892 9.30118 19.4417 GPRESSAVG: 4713600 67.3775 47.7773 -21.2732 49.2554 -38.3435 9.34745 -19.4588 8.48346 20.7247 TIMING: 4713600 CPU: 14979.9, 0.00316359/step Wall: 14979.9, 0.00316359/step, 0.251681 hours remaining, 238.410156 MB of memory in use. ENERGY: 4713600 3987.8249 20612.6341 14448.4244 207.6690 -203520.0130 2591.5173 0.0000 0.0000 52096.2019 -109575.7413 299.3976 -161671.9432 -109225.3567 299.3040 8.9564 31.1333 761736.1461 16.6810 16.5862 PRESSURE: 4713800 24.6143 0.96628 126.893 0.965847 31.2604 141.04 126.893 141.039 -24.8893 GPRESSURE: 4713800 33.5052 23.0925 38.7231 0.394984 24.025 121.473 170.58 84.568 43.8463 PRESSAVG: 4713800 29.7146 -32.0053 -49.2713 -32.0053 -39.8117 76.238 -49.2713 76.2381 0.221062 GPRESSAVG: 4713800 28.9195 -31.2402 -48.6276 -33.3682 -39.3516 75.7751 -52.6318 76.4022 0.463862 TIMING: 4713800 CPU: 14980.6, 0.00317881/step Wall: 14980.6, 0.00317881/step, 0.252716 hours remaining, 238.410156 MB of memory in use. ENERGY: 4713800 3941.5351 20447.9218 14417.6143 232.2336 -202886.0378 2336.5958 0.0000 0.0000 51859.2765 -109650.8606 298.0360 -161510.1371 -109284.7638 298.9489 10.3285 33.7922 761374.5087 -3.2920 -3.3227 PRESSURE: 4714000 -292.205 0.887158 -77.0653 0.886315 -297.553 266.151 -77.0661 266.15 -558.105 GPRESSURE: 4714000 -254.449 63.6145 -159.339 -80.9321 -261.162 172.808 68.0867 311.278 -539.125 PRESSAVG: 4714000 23.4134 15.898 -28.6646 15.898 -9.49522 41.1669 -28.6646 41.1669 -38.1431 GPRESSAVG: 4714000 24.3793 15.8533 -29.5042 15.6495 -8.85902 41.8163 -25.7213 40.6112 -40.0814 TIMING: 4714000 CPU: 14981.2, 0.00317206/step Wall: 14981.2, 0.00317206/step, 0.252003 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4714000 4061.3397 20444.3567 14461.4583 242.8499 -203274.4697 2409.9015 0.0000 0.0000 52039.2487 -109615.3149 299.0703 -161654.5636 -109262.4882 299.2779 -382.6208 -351.5786 760990.4677 -8.0750 -8.1870 PRESSURE: 4714200 -172.152 -194.51 -256.892 -194.51 -80.1763 204.813 -256.891 204.813 -273.801 GPRESSURE: 4714200 -116.487 -206.921 -209.394 -159.515 -70.5818 198.311 -235.015 98.184 -240.195 PRESSAVG: 4714200 -21.0098 -62.0253 -45.0173 -62.0254 23.5273 12.949 -45.0173 12.949 -27.8639 GPRESSAVG: 4714200 -22.0045 -61.3453 -44.6608 -62.213 24.1763 13.5934 -45.9787 13.4174 -26.8083 TIMING: 4714200 CPU: 14981.8, 0.00318595/step Wall: 14981.8, 0.00318595/step, 0.252929 hours remaining, 238.410156 MB of memory in use. ENERGY: 4714200 3990.3879 20512.5475 14475.4325 234.6144 -203328.7213 2610.8765 0.0000 0.0000 51806.4103 -109698.4521 297.7322 -161504.8624 -109347.2763 299.4247 -175.3764 -142.4214 758527.0851 -8.4488 -8.2122 PRESSURE: 4714400 27.758 232.941 64.3487 232.941 -312.459 -141.184 64.3488 -141.183 6.11071 GPRESSURE: 4714400 -7.37706 204.376 51.4457 152.871 -215.61 -214.147 79.1268 -91.9642 35.9783 PRESSAVG: 4714400 -19.6365 -30.0349 -23.5637 -30.0349 -5.36523 30.4892 -23.5637 30.4891 37.9653 GPRESSAVG: 4714400 -19.6308 -29.7453 -25.6924 -31.215 -6.47015 31.3633 -22.5052 30.2039 38.5116 TIMING: 4714400 CPU: 14982.5, 0.00318535/step Wall: 14982.5, 0.00318535/step, 0.252705 hours remaining, 238.410156 MB of memory in use. ENERGY: 4714400 3993.9597 20384.9221 14426.9981 237.7860 -203258.2695 2419.3280 0.0000 0.0000 51999.2815 -109795.9941 298.8406 -161795.2756 -109433.4775 298.6781 -92.8634 -62.3363 760447.2478 4.3212 4.1369 PRESSURE: 4714600 -106.056 9.94481 111.068 9.94528 -179.71 26.8048 111.069 26.8049 -130.378 GPRESSURE: 4714600 -57.02 -49.3362 150.059 50.6877 -135.168 20.875 -45.8056 53.6742 -117.152 PRESSAVG: 4714600 -29.1145 -4.71411 -11.3278 -4.7141 -26.883 39.1011 -11.3278 39.1011 6.61858 GPRESSAVG: 4714600 -29.6296 -4.91825 -8.45479 -4.70487 -25.1363 37.9446 -14.0681 39.7331 5.76096 TIMING: 4714600 CPU: 14983.1, 0.00316181/step Wall: 14983.1, 0.00316181/step, 0.250661 hours remaining, 238.410156 MB of memory in use. ENERGY: 4714600 3978.6288 20371.4628 14426.9772 250.4852 -202901.7162 2447.5907 0.0000 0.0000 51821.5513 -109605.0202 297.8192 -161426.5715 -109251.5435 298.8900 -138.7147 -103.1135 760726.9693 -16.4596 -16.3350 PRESSURE: 4714800 222.798 13.5059 120.282 13.505 -187.418 13.9787 120.282 13.9789 53.2675 GPRESSURE: 4714800 251.047 -0.123062 191.01 27.2585 -155.006 14.7823 112.037 48.1187 61.5009 PRESSAVG: 4714800 10.3567 -19.8146 -27.5391 -19.8146 0.630485 42.0501 -27.539 42.0501 -8.3322 GPRESSAVG: 4714800 9.34627 -21.1609 -28.2028 -16.6108 0.00829314 41.2782 -24.8042 43.5399 -7.02412 TIMING: 4714800 CPU: 14983.7, 0.00315714/step Wall: 14983.7, 0.00315714/step, 0.250116 hours remaining, 238.410156 MB of memory in use. ENERGY: 4714800 4041.0156 20423.0063 14471.2406 210.5825 -203140.3245 2387.1126 0.0000 0.0000 51951.3264 -109656.0405 298.5650 -161607.3669 -109294.7479 298.7124 29.5494 52.5141 759534.6532 0.8850 0.7768 PRESSURE: 4715000 104.977 -13.6927 133.579 -13.6911 -106.987 11.0504 133.579 11.0498 -327.525 GPRESSURE: 4715000 144.739 2.63918 39.2887 -94.2467 -61.7489 -109.712 204.368 -75.4781 -309.697 PRESSAVG: 4715000 -2.36134 -14.3704 -48.0908 -14.3704 -30.1063 44.6061 -48.0908 44.6061 36.4608 GPRESSAVG: 4715000 0.0342713 -14.148 -48.4764 -15.1421 -30.8619 44.691 -49.2209 45.0032 34.8083 TIMING: 4715000 CPU: 14984.4, 0.00316117/step Wall: 14984.4, 0.00316117/step, 0.250259 hours remaining, 238.410156 MB of memory in use. ENERGY: 4715000 3951.9420 20430.9491 14417.6761 242.4512 -203031.0355 2505.9258 0.0000 0.0000 51668.6690 -109813.4223 296.9406 -161482.0913 -109464.7742 298.4007 -109.8451 -75.5689 760019.6367 1.3310 1.3269 PRESSURE: 4715200 -0.41146 -77.2398 -27.9536 -77.2394 -16.6446 -9.35237 -27.9538 -9.35195 -161.676 GPRESSURE: 4715200 73.028 44.3972 -14.0336 -15.7355 24.2338 31.1974 -23.6761 -37.5608 -187.293 PRESSAVG: 4715200 27.8298 -17.0844 -26.8658 -17.0845 -5.49812 78.0917 -26.8658 78.0917 -3.1638 GPRESSAVG: 4715200 27.4622 -13.5253 -24.8453 -18.7302 -4.2359 79.4981 -28.7496 75.5694 -4.15321 TIMING: 4715200 CPU: 14985, 0.00318727/step Wall: 14985, 0.00318727/step, 0.252148 hours remaining, 238.410156 MB of memory in use. ENERGY: 4715200 3958.2465 20549.0842 14438.6349 251.4010 -203173.4251 2201.9220 0.0000 0.0000 52121.1488 -109652.9876 299.5410 -161774.1364 -109299.7106 298.6383 -59.5772 -30.0104 758470.7527 6.3893 6.3577 PRESSURE: 4715400 53.9715 -13.5276 -64.6866 -13.5281 -262.118 -44.1743 -64.6864 -44.1738 -81.8519 GPRESSURE: 4715400 65.2087 50.592 -103.325 -152.194 -214.075 32.2941 -87.3529 6.51372 -42.1852 PRESSAVG: 4715400 1.3324 -24.8976 -49.3173 -24.8976 32.9425 16.4069 -49.3173 16.4069 -1.14716 GPRESSAVG: 4715400 -0.566776 -27.9133 -49.4699 -24.8218 32.8218 17.9681 -46.9515 18.1255 1.16554 TIMING: 4715400 CPU: 14985.7, 0.00319084/step Wall: 14985.7, 0.00319084/step, 0.252254 hours remaining, 238.410156 MB of memory in use. ENERGY: 4715400 4003.8857 20352.1856 14484.8236 241.2199 -202932.0486 2181.2827 0.0000 0.0000 51719.6209 -109949.0303 297.2334 -161668.6512 -109597.4381 298.4878 -96.6662 -63.6837 758966.4774 11.0426 11.1402 PRESSURE: 4715600 -2.80095 63.368 -64.5076 63.3694 -127.354 -42.7156 -64.5068 -42.7149 -70.2774 GPRESSURE: 4715600 96.7723 8.56708 -28.4806 27.9772 -154.387 -54.3789 12.9054 -43.9761 -49.4164 PRESSAVG: 4715600 7.07747 -55.2784 -30.252 -55.2784 -32.5701 16.105 -30.252 16.1049 13.1522 GPRESSAVG: 4715600 8.47606 -55.3361 -32.3967 -56.1332 -33.5621 14.1144 -29.2531 16.325 12.7682 TIMING: 4715600 CPU: 14986.3, 0.00317538/step Wall: 14986.3, 0.00317538/step, 0.250855 hours remaining, 238.410156 MB of memory in use. ENERGY: 4715600 4038.2856 20370.8197 14396.8456 234.9380 -203558.4527 2660.0637 0.0000 0.0000 51938.9481 -109918.5520 298.4938 -161857.5001 -109564.1080 298.3881 -66.8107 -35.6770 759251.1852 -4.1135 -4.1059 PRESSURE: 4715800 -254.276 102.095 -124.671 102.095 -508.679 -141.736 -124.672 -141.736 -133.472 GPRESSURE: 4715800 -235.696 76.628 -98.5343 138.408 -469.885 -131.695 -200.163 -87.4261 -105.61 PRESSAVG: 4715800 17.2356 -18.257 32.0947 -18.257 2.34712 25.2378 32.0947 25.2378 6.19353 GPRESSAVG: 4715800 17.2393 -18.7828 31.7346 -15.3601 2.99688 25.9169 30.8919 24.4126 5.66229 TIMING: 4715800 CPU: 14986.9, 0.0031924/step Wall: 14986.9, 0.0031924/step, 0.252022 hours remaining, 238.410156 MB of memory in use. ENERGY: 4715800 4009.2006 20370.5727 14499.4962 247.6804 -203290.3157 2375.8866 0.0000 0.0000 51803.2602 -109984.2190 297.7140 -161787.4791 -109628.5553 298.3601 -298.8089 -270.3971 760328.2981 8.5921 8.6328 PRESSURE: 4716000 257.095 91.3115 173.631 91.311 -12.605 133.557 173.631 133.558 164.306 GPRESSURE: 4716000 294.089 21.8973 108.734 171.283 -9.8756 46.0179 235.646 46.8479 203.651 PRESSAVG: 4716000 24.1043 -43.9915 -7.85107 -43.9915 21.5528 14.8429 -7.85099 14.8429 22.8999 GPRESSAVG: 4716000 23.7778 -41.0579 -7.69593 -45.8484 21.8897 14.392 -5.09473 15.1563 23.5614 TIMING: 4716000 CPU: 14987.6, 0.00317248/step Wall: 14987.6, 0.00317249/step, 0.250274 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4716000 4023.3292 20530.1873 14451.1768 261.9971 -203318.3401 2565.3674 0.0000 0.0000 51712.4977 -109773.7847 297.1924 -161486.2824 -109423.5508 298.6233 136.2653 162.6215 759040.9217 22.8523 23.0763 PRESSURE: 4716200 -99.9195 -160.658 -4.75241 -160.658 14.5614 167.616 -4.75343 167.616 271.105 GPRESSURE: 4716200 -13.3322 -57.2663 -139.81 -169.906 -9.21467 179.345 106.137 210.424 287.963 PRESSAVG: 4716200 -17.9487 31.029 55.0023 31.029 36.1247 1.70668 55.0023 1.70668 -12.7775 GPRESSAVG: 4716200 -17.2316 30.4123 55.7096 30.0378 35.5466 1.18584 51.8141 1.6912 -12.5336 TIMING: 4716200 CPU: 14988.2, 0.00316332/step Wall: 14988.2, 0.00316332/step, 0.249375 hours remaining, 238.410156 MB of memory in use. ENERGY: 4716200 3976.8402 20375.5218 14470.7433 268.1166 -203564.3158 2562.8352 0.0000 0.0000 51956.1485 -109954.1102 298.5927 -161910.2586 -109594.4479 298.7016 61.9157 88.4721 759676.2063 1.7995 1.9272 LDB: ============= START OF LOAD BALANCING ============== 15000.6 LDB: ============== END OF LOAD BALANCING =============== 15000.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15000.6 LDB: ============= START OF LOAD BALANCING ============== 15000.9 LDB: Largest compute 7057 load 0.034372 is 17.5% of average load 0.195863 LDB: Average compute 0.004405 is 2.2% of average load 0.195863 LDB: TIME 15000.9 LOAD: AVG 0.195863 MAX 0.220314 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 15000.9 LOAD: AVG 0.195863 MAX 0.220314 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: TIME 15000.9 LOAD: AVG 0.195863 MAX 0.220314 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15000.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15000.9 PRESSURE: 4716400 220.612 -168.963 15.5681 -168.963 433.631 -71.3152 15.5689 -71.3153 566.239 GPRESSURE: 4716400 212.854 -175.618 8.46657 -165.08 454.307 -88.4672 51.8671 -87.1907 620.112 PRESSAVG: 4716400 17.9806 18.3185 17.5583 18.3185 -7.14055 -27.9637 17.5583 -27.9638 -26.5911 GPRESSAVG: 4716400 18.4657 17.1665 18.1878 18.7705 -7.02872 -29.5366 16.3625 -26.8294 -27.4993 TIMING: 4716400 CPU: 14988.8, 0.00326315/step Wall: 14988.8, 0.00326315/step, 0.257064 hours remaining, 238.355469 MB of memory in use. ENERGY: 4716400 3888.2965 20368.5113 14515.9008 252.6642 -203659.5307 2821.0330 0.0000 0.0000 51934.8667 -109878.2582 298.4704 -161813.1249 -109515.5803 298.2861 406.8271 429.0913 759892.8557 -5.2504 -5.3541 PRESSURE: 4716600 -171.152 51.1194 -47.773 51.1196 -228.21 -173.375 -47.7721 -173.376 -180.782 GPRESSURE: 4716600 -150.575 87.7159 -39.6659 54.2445 -219.981 -128.912 -1.07469 13.2088 -119.955 PRESSAVG: 4716600 24.8753 11.6542 9.90825 11.6543 27.501 -26.9429 9.9082 -26.943 -21.8666 GPRESSAVG: 4716600 23.337 10.8535 8.96513 13.4536 27.6734 -24.7294 13.9666 -27.3336 -20.9863 TIMING: 4716600 CPU: 14989.5, 0.00316683/step Wall: 14989.5, 0.00316683/step, 0.2493 hours remaining, 238.355469 MB of memory in use. ENERGY: 4716600 4034.9220 20453.1678 14489.1262 241.2993 -203086.2669 2146.9380 0.0000 0.0000 51719.5991 -110001.2145 297.2332 -161720.8136 -109653.0576 298.2508 -193.3811 -163.5040 762743.4998 10.1699 10.0080 PRESSURE: 4716800 217.76 -0.218447 49.0193 -0.218915 9.79671 203.95 49.02 203.95 -405.189 GPRESSURE: 4716800 181.323 132.824 27.1425 -83.1695 63.4938 187.61 113.464 45.9245 -344.598 PRESSAVG: 4716800 -25.3185 7.80815 5.54683 7.80812 16.5991 11.6265 5.54685 11.6265 -2.13733 GPRESSAVG: 4716800 -24.9952 8.37442 5.80228 6.69377 16.9773 11.06 4.50944 10.7077 -3.18629 TIMING: 4716800 CPU: 14990.1, 0.00318107/step Wall: 14990.1, 0.00318107/step, 0.250244 hours remaining, 238.355469 MB of memory in use. ENERGY: 4716800 3953.3240 20431.5342 14462.8884 238.2282 -203485.1107 2505.3545 0.0000 0.0000 52124.4922 -109769.2892 299.5602 -161893.7814 -109410.4036 298.7938 -59.2107 -33.2602 758800.8825 -3.6189 -3.7347 PRESSURE: 4717000 -140.826 36.9185 -130.565 36.9193 39.3356 162.231 -130.564 162.231 462.547 GPRESSURE: 4717000 -31.486 -43.3994 -131.138 181.226 25.2557 105.857 -50.6085 56.7033 470.505 PRESSAVG: 4717000 -1.57073 30.2981 4.29069 30.2981 11.7117 16.9642 4.29079 16.9644 21.3486 GPRESSAVG: 4717000 -2.133 30.6149 6.87923 29.834 12.7155 16.9891 3.29299 16.3568 20.7611 TIMING: 4717000 CPU: 14990.8, 0.00316716/step Wall: 14990.8, 0.00316716/step, 0.248974 hours remaining, 238.355469 MB of memory in use. ENERGY: 4717000 3948.6281 20280.6588 14480.8806 256.8294 -203051.3795 2197.6177 0.0000 0.0000 52049.7638 -109837.0013 299.1307 -161886.7651 -109473.2435 298.9406 120.3523 154.7581 760875.2194 10.4965 10.4479 PRESSURE: 4717200 178.798 -41.6318 -191.717 -41.6315 -210.193 48.8772 -191.716 48.8758 -277.223 GPRESSURE: 4717200 200.311 -21.9372 -47.2619 8.13094 -157.824 -2.41518 -199.965 189.353 -254.436 PRESSAVG: 4717200 1.23085 36.0376 2.18711 36.0377 -4.84846 -5.67512 2.18706 -5.67511 0.70413 GPRESSAVG: 4717200 2.34612 34.2001 1.37306 35.7424 -6.82081 -6.40462 4.00771 -6.41938 1.55263 TIMING: 4717200 CPU: 14991.4, 0.00315924/step Wall: 14991.4, 0.00315924/step, 0.248176 hours remaining, 238.355469 MB of memory in use. ENERGY: 4717200 3887.1845 20619.2119 14482.2880 259.3643 -203400.5529 2547.2955 0.0000 0.0000 51758.9327 -109846.2758 297.4593 -161605.2085 -109486.7709 298.3849 -102.8729 -70.6495 761271.1512 -0.9712 -0.9740 PRESSURE: 4717400 -245.674 38.3408 208.513 38.3405 -319.581 103.583 208.512 103.583 -56.1446 GPRESSURE: 4717400 -203.562 75.0195 162.301 28.8285 -324.046 25.812 167.78 77.3697 0.922112 PRESSAVG: 4717400 -19.9644 -20.4589 19.1304 -20.4589 41.3778 -15.3224 19.1304 -15.3224 25.0136 GPRESSAVG: 4717400 -21.1058 -17.939 18.4666 -20.2935 42.389 -14.4276 17.4159 -14.955 25.3809 TIMING: 4717400 CPU: 14992, 0.00316572/step Wall: 14992, 0.00316572/step, 0.248509 hours remaining, 238.355469 MB of memory in use. ENERGY: 4717400 4066.7030 20513.1174 14464.2611 266.5177 -203240.8987 2333.7548 0.0000 0.0000 51988.5209 -109608.0239 298.7787 -161596.5448 -109252.5084 298.7051 -207.1332 -175.5620 761859.6326 15.4757 15.5547 PRESSURE: 4717600 -341.394 -111.788 35.9531 -111.787 95.6259 -61.2517 35.9537 -61.2524 17.1556 GPRESSURE: 4717600 -207.338 -153.415 68.0885 -73.6215 73.1181 -152.922 18.8202 -21.1794 17.0571 PRESSAVG: 4717600 -22.027 -20.4203 -11.6119 -20.4204 52.0493 -50.0183 -11.612 -50.0182 0.622741 GPRESSAVG: 4717600 -21.4989 -19.2138 -10.7256 -19.9208 52.3892 -49.6018 -11.6193 -48.2836 0.172267 TIMING: 4717600 CPU: 14992.7, 0.00318671/step Wall: 14992.7, 0.00318671/step, 0.24998 hours remaining, 238.355469 MB of memory in use. ENERGY: 4717600 3960.1509 20473.2971 14445.9106 254.6455 -203339.0204 2501.2751 0.0000 0.0000 52125.9607 -109577.7806 299.5686 -161703.7413 -109209.5628 299.5206 -76.2043 -39.0541 760996.6480 10.2150 10.3542 PRESSURE: 4717800 -427.583 -97.5766 -70.9019 -97.5763 67.1804 -268.025 -70.9017 -268.025 202.337 GPRESSURE: 4717800 -340.338 -35.2027 -68.1164 -142.245 21.5456 -191.377 -252.538 -274.544 234.889 PRESSAVG: 4717800 36.6959 49.4364 -65.4486 49.4364 -17.8623 -33.2832 -65.4486 -33.2832 -1.70319 GPRESSAVG: 4717800 38.4633 49.3782 -68.0899 48.8192 -19.8772 -32.5252 -64.4064 -37.514 -1.15327 TIMING: 4717800 CPU: 14993.3, 0.00319194/step Wall: 14993.3, 0.00319194/step, 0.250213 hours remaining, 238.355469 MB of memory in use. ENERGY: 4717800 3958.8499 20535.6146 14514.5517 250.9477 -203646.5595 2697.2868 0.0000 0.0000 51976.5802 -109712.7286 298.7101 -161689.3087 -109365.7067 298.8367 -52.6885 -27.9678 760487.8836 5.7101 5.8109 PRESSURE: 4718000 73.6159 -139.473 -218.822 -139.473 -513.613 8.59944 -218.822 8.59957 -126.037 GPRESSURE: 4718000 51.094 -60.0681 -169.358 -111.898 -440.532 46.8632 -62.1769 -26.7421 -95.3612 PRESSAVG: 4718000 16.3818 -13.3614 -34.2777 -13.3614 12.343 -34.7658 -34.2778 -34.7659 19.1362 GPRESSAVG: 4718000 14.6154 -13.9912 -32.6442 -13.8886 12.9963 -34.8952 -33.8016 -33.0106 19.7416 TIMING: 4718000 CPU: 14993.9, 0.00320117/step Wall: 14993.9, 0.00320117/step, 0.250758 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4718000 3928.7207 20419.3847 14382.0722 246.3086 -202768.9817 2075.4149 0.0000 0.0000 51880.4723 -109836.6082 298.1578 -161717.0805 -109466.5258 298.4652 -188.6782 -161.5996 761406.8069 15.9537 15.7844 PRESSURE: 4718200 -45.3179 128.846 0.413303 128.846 -228.712 80.9949 0.413548 80.9956 -327.233 GPRESSURE: 4718200 -3.84089 79.9186 9.76929 102.429 -243.383 33.2253 24.1836 51.8574 -276.56 PRESSAVG: 4718200 15.2427 14.3848 -6.54927 14.3847 45.5258 -25.4569 -6.54926 -25.4568 12.5234 GPRESSAVG: 4718200 16.5442 14.0601 -5.83126 15.4423 44.8976 -27.0082 -6.83498 -23.3302 11.9758 TIMING: 4718200 CPU: 14994.6, 0.00320505/step Wall: 14994.6, 0.00320505/step, 0.250884 hours remaining, 238.355469 MB of memory in use. ENERGY: 4718200 4046.8737 20475.2099 14522.7432 245.5352 -203559.9552 2610.3968 0.0000 0.0000 51982.9961 -109676.2002 298.7470 -161659.1964 -109314.5051 298.6049 -200.4210 -174.5945 761830.6276 24.4307 24.4725 PRESSURE: 4718400 31.3671 72.3768 -55.7053 72.3773 194.294 -80.9486 -55.7051 -80.9478 -17.616 GPRESSURE: 4718400 50.2735 128.422 -41.4838 50.1074 217.138 -28.0914 -49.4096 41.0138 28.9954 PRESSAVG: 4718400 3.45173 24.9977 -29.8018 24.9976 10.1987 13.3483 -29.8018 13.3483 6.92111 GPRESSAVG: 4718400 3.74142 25.9927 -28.5 20.9605 10.3434 15.1992 -31.4504 11.708 6.19242 TIMING: 4718400 CPU: 14995.2, 0.00320013/step Wall: 14995.2, 0.00320013/step, 0.250321 hours remaining, 238.355469 MB of memory in use. ENERGY: 4718400 3966.2774 20408.6311 14486.1824 265.9392 -203261.3673 2465.3383 0.0000 0.0000 51884.6176 -109784.3814 298.1816 -161668.9990 -109420.2222 298.6751 69.3484 98.8023 760368.3975 6.8572 6.7591 PRESSURE: 4718600 -62.7873 78.354 181.119 78.3531 -43.5286 29.1123 181.119 29.1119 -248.949 GPRESSURE: 4718600 5.06143 63.251 138.631 -2.28021 -38.1007 -41.4553 39.1695 -50.0389 -220.675 PRESSAVG: 4718600 -32.2332 37.393 43.8414 37.393 80.2685 -46.0949 43.8414 -46.0948 33.8538 GPRESSAVG: 4718600 -32.2947 37.1309 42.6293 41.2735 80.5204 -48.1608 43.7969 -44.1487 33.3855 TIMING: 4718600 CPU: 14995.9, 0.00319543/step Wall: 14995.9, 0.00319543/step, 0.249776 hours remaining, 238.355469 MB of memory in use. ENERGY: 4718600 3939.2852 20657.8661 14453.3697 227.0053 -202761.4476 2091.2368 0.0000 0.0000 51729.5491 -109663.1355 297.2904 -161392.6846 -109306.8320 298.5542 -118.4217 -84.5713 761751.7437 27.2964 27.2037 PRESSURE: 4718800 -334.732 15.0385 -137.862 15.0387 276.369 123.978 -137.862 123.978 -56.2242 GPRESSURE: 4718800 -238.189 103.654 -120.033 -126.102 249.401 146.28 -35.9069 108.302 -22.0506 PRESSAVG: 4718800 -63.0149 9.89249 9.28505 9.89246 52.9999 4.92875 9.2851 4.92866 -12.9707 GPRESSAVG: 4718800 -64.1463 9.13828 8.79643 11.0564 53.2627 4.60735 9.10574 5.66323 -11.608 TIMING: 4718800 CPU: 14996.5, 0.00320647/step Wall: 14996.5, 0.00320647/step, 0.250461 hours remaining, 238.355469 MB of memory in use. ENERGY: 4718800 3990.1446 20326.4078 14542.8663 234.9615 -203480.6570 2725.0978 0.0000 0.0000 51910.6774 -109750.5017 298.3314 -161661.1790 -109378.3294 298.5510 -38.1955 -3.6130 761381.0320 -7.6619 -7.4972 PRESSURE: 4719000 176.876 -163.111 -102.12 -163.111 81.8284 -22.2815 -102.121 -22.2818 154.886 GPRESSURE: 4719000 216.381 -121.14 -112.398 40.6516 132.331 -34.7728 -127.662 25.3834 152.098 PRESSAVG: 4719000 -22.9584 -45.7354 -0.455261 -45.7354 57.3492 -9.19694 -0.455342 -9.1969 -5.2036 GPRESSAVG: 4719000 -21.3559 -45.1726 -2.70586 -45.4264 57.0554 -7.17457 0.666435 -11.7674 -6.57656 TIMING: 4719000 CPU: 14997.1, 0.00319222/step Wall: 14997.1, 0.00319222/step, 0.249171 hours remaining, 238.355469 MB of memory in use. ENERGY: 4719000 3979.2483 20488.9648 14499.8929 261.5349 -203503.6920 2333.7256 0.0000 0.0000 52143.1499 -109797.1757 299.6674 -161940.3256 -109431.3462 298.5978 137.8634 166.9365 758691.0166 9.7291 9.7076 PRESSURE: 4719200 368.055 176.12 -47.6844 176.12 -75.3714 -205.145 -47.6837 -205.146 -164.702 GPRESSURE: 4719200 394.534 -29.1342 82.0203 50.8893 -76.8842 -85.1021 10.6701 -142.437 -130.72 PRESSAVG: 4719200 43.8606 5.24989 3.9801 5.24996 -18.6062 6.80807 3.98008 6.80804 -13.3889 GPRESSAVG: 4719200 42.3346 3.9954 4.83197 4.28255 -17.3031 6.06577 4.72522 6.95269 -13.0232 TIMING: 4719200 CPU: 14997.8, 0.00318883/step Wall: 14997.8, 0.00318883/step, 0.248729 hours remaining, 238.355469 MB of memory in use. ENERGY: 4719200 3950.8250 20616.1005 14514.7888 244.3111 -203734.6050 2649.0931 0.0000 0.0000 52073.4311 -109686.0554 299.2667 -161759.4865 -109324.0439 298.9039 42.6608 62.3096 759538.6837 3.9552 4.0028 PRESSURE: 4719400 -90.9563 16.5016 -75.9508 16.5016 -324.587 -68.5064 -75.9509 -68.5062 -220.853 GPRESSURE: 4719400 -100.023 60.5597 -59.1477 -42.4449 -240.478 -27.2588 -75.425 -47.7561 -191.036 PRESSAVG: 4719400 17.8872 3.52778 -11.5751 3.52777 -17.3622 -13.4281 -11.5751 -13.4281 -30.647 GPRESSAVG: 4719400 18.5498 4.53387 -10.827 3.86786 -17.6402 -11.9025 -11.1206 -13.08 -30.6676 TIMING: 4719400 CPU: 14998.4, 0.00319726/step Wall: 14998.4, 0.00319726/step, 0.249209 hours remaining, 238.355469 MB of memory in use. ENERGY: 4719400 4085.5286 20391.8764 14479.1243 255.5465 -203230.5631 2409.3602 0.0000 0.0000 51970.7992 -109638.3278 298.6769 -161609.1270 -109294.2693 298.9492 -212.1319 -177.1791 761142.2104 -10.0407 -9.9193 PRESSURE: 4719600 -348.592 -35.1 203.697 -35.1004 -217.202 13.2987 203.697 13.2994 -218.222 GPRESSURE: 4719600 -278.099 10.7743 138.703 -45.6812 -303.766 12.9955 57.5434 -60.288 -122.25 PRESSAVG: 4719600 -21.071 43.6525 -14.9099 43.6525 9.36248 -81.2358 -14.91 -81.2358 6.86449 GPRESSAVG: 4719600 -21.2927 43.302 -15.5768 43.9257 8.20941 -82.7867 -17.1184 -79.8503 7.98269 TIMING: 4719600 CPU: 14999, 0.00318352/step Wall: 14999, 0.00318352/step, 0.247961 hours remaining, 238.355469 MB of memory in use. ENERGY: 4719600 3991.5668 20663.5951 14481.4765 255.4658 -203506.6926 2580.8609 0.0000 0.0000 51922.6166 -109611.1109 298.4000 -161533.7275 -109263.7784 298.5704 -261.3386 -234.7051 760944.4152 -1.6147 -1.7002 PRESSURE: 4719800 -13.49 162.498 -158.466 162.497 -133.953 105.227 -158.467 105.228 -162.201 GPRESSURE: 4719800 -6.67883 279.146 -18.3012 -33.1362 -60.8151 112.068 -23.2779 -5.00978 -166.058 PRESSAVG: 4719800 10.7149 35.9385 7.16424 35.9385 40.5365 27.7804 7.16428 27.7804 16.1107 GPRESSAVG: 4719800 11.4734 36.0818 8.38918 35.1747 40.3341 29.1424 8.67824 26.6532 15.3225 TIMING: 4719800 CPU: 14999.7, 0.00318998/step Wall: 14999.7, 0.00318998/step, 0.248287 hours remaining, 238.355469 MB of memory in use. ENERGY: 4719800 4039.2392 20781.7624 14442.7846 221.6112 -203719.1977 2620.8826 0.0000 0.0000 52038.0889 -109574.8288 299.0636 -161612.9177 -109217.0858 299.3759 -103.2145 -77.8507 760103.1238 22.4540 22.3767 PRESSURE: 4720000 -251.793 60.8653 250.516 60.8651 -187.692 -297.273 250.517 -297.272 -86.2426 GPRESSURE: 4720000 -271.304 104.59 286.07 64.9329 -112.356 -330.31 163.12 -355.923 -55.1486 PRESSAVG: 4720000 53.7739 -37.7517 -18.8623 -37.7517 -21.2612 -2.68186 -18.8622 -2.68186 12.7974 GPRESSAVG: 4720000 52.8337 -37.333 -19.6721 -37.0555 -21.0015 -3.87486 -17.8742 -2.73427 13.3925 TIMING: 4720000 CPU: 15000.3, 0.00318854/step Wall: 15000.3, 0.00318854/step, 0.247998 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4720000 4016.6429 20422.5957 14465.1765 250.4694 -203010.0297 2425.7686 0.0000 0.0000 51757.7867 -109671.5899 297.4527 -161429.3766 -109300.8948 299.2020 -175.2426 -146.2697 761656.7036 15.1033 15.0749 PRESSURE: 4720200 7.19794 -139.354 69.6444 -139.354 -78.2362 -158.481 69.6449 -158.48 -441.176 GPRESSURE: 4720200 72.62 -151.349 52.0825 -188.343 -105.473 -125.517 34.134 -91.8858 -388.645 PRESSAVG: 4720200 0.557009 -4.55934 28.3174 -4.55931 -34.4768 -39.3976 28.3174 -39.3976 0.8288 GPRESSAVG: 4720200 -0.2803 -4.88031 26.7825 -5.736 -33.6363 -38.8451 27.3528 -36.7748 0.955778 TIMING: 4720200 CPU: 15001, 0.00319806/step Wall: 15001, 0.00319806/step, 0.248561 hours remaining, 238.355469 MB of memory in use. ENERGY: 4720200 4029.4797 20454.1745 14446.9757 255.4886 -203505.3935 2623.6851 0.0000 0.0000 52232.1830 -109463.4068 300.1791 -161695.5898 -109099.1336 298.7499 -170.7380 -140.4994 760664.5420 -11.0303 -10.9869 LDB: ============= START OF LOAD BALANCING ============== 15013.4 LDB: ============== END OF LOAD BALANCING =============== 15013.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15013.4 LDB: ============= START OF LOAD BALANCING ============== 15013.7 LDB: Largest compute 7057 load 0.036447 is 18.6% of average load 0.195947 LDB: Average compute 0.004399 is 2.2% of average load 0.195947 LDB: TIME 15013.7 LOAD: AVG 0.195947 MAX 0.221227 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 15013.7 LOAD: AVG 0.195947 MAX 0.221227 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.535 MB LDB: TIME 15013.7 LOAD: AVG 0.195947 MAX 0.221227 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15013.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15013.7 PRESSURE: 4720400 185.03 -70.3406 51.0102 -70.3402 84.654 114.689 51.0098 114.689 394.499 GPRESSURE: 4720400 249.399 -77.083 29.304 -117.667 143.934 109.51 -63.4905 118.25 348.32 PRESSAVG: 4720400 -55.0107 -25.8784 -43.9408 -25.8784 58.7699 18.4869 -43.9409 18.4869 12.6293 GPRESSAVG: 4720400 -52.2934 -26.2445 -42.8937 -26.8336 58.2189 17.3172 -44.991 17.9718 10.9235 TIMING: 4720400 CPU: 15001.6, 0.0032446/step Wall: 15001.6, 0.00324459/step, 0.251997 hours remaining, 238.355469 MB of memory in use. ENERGY: 4720400 3970.8241 20459.7196 14434.9929 249.2250 -203075.6172 2326.1263 0.0000 0.0000 52040.1146 -109594.6148 299.0753 -161634.7294 -109226.4414 299.5646 221.3944 247.2176 761512.0353 5.4628 5.6164 PRESSURE: 4720600 190.999 15.8158 -4.90107 15.816 -111.615 -86.7932 -4.90126 -86.7922 181.096 GPRESSURE: 4720600 229.725 45.8335 -37.4802 22.4977 -71.7101 -6.76001 -8.09287 -88.4364 198.034 PRESSAVG: 4720600 -15.3817 -19.0833 -65.3033 -19.0833 19.8508 -1.51851 -65.3033 -1.51843 -6.01195 GPRESSAVG: 4720600 -15.7038 -17.9295 -64.8309 -19.4045 19.3644 1.00276 -64.6996 -2.97522 -5.29645 TIMING: 4720600 CPU: 15002.2, 0.00317814/step Wall: 15002.2, 0.00317814/step, 0.246659 hours remaining, 238.355469 MB of memory in use. ENERGY: 4720600 3989.3723 20548.3008 14447.9057 267.1451 -202879.7945 2248.2458 0.0000 0.0000 51852.6350 -109526.1898 297.9978 -161378.8248 -109162.8431 299.3074 86.8268 118.6828 761727.3161 -0.5143 -0.5453 PRESSURE: 4720800 -364.969 184.417 98.5679 184.416 -187.381 95.7324 98.5676 95.7325 -278.688 GPRESSURE: 4720800 -442.586 106.758 -49.9437 207.267 -69.1797 27.8943 57.9539 79.2396 -235.811 PRESSAVG: 4720800 0.931999 -6.93585 -35.0525 -6.9359 3.03933 -69.8147 -35.0525 -69.8149 -1.53196 GPRESSAVG: 4720800 0.203616 -9.31126 -36.4439 -4.76516 3.74958 -70.8574 -33.7105 -71.4257 -1.5739 TIMING: 4720800 CPU: 15002.9, 0.00319743/step Wall: 15002.9, 0.00319743/step, 0.247978 hours remaining, 238.355469 MB of memory in use. ENERGY: 4720800 3914.3367 20506.9742 14351.7500 248.1759 -203160.6972 2364.4861 0.0000 0.0000 52202.1797 -109572.7945 300.0066 -161774.9742 -109210.6994 298.6690 -277.0128 -249.1923 763483.1551 0.8131 0.7931 PRESSURE: 4721000 -260.168 -115.859 74.7827 -115.859 -220.952 24.2652 74.7832 24.2638 121.568 GPRESSURE: 4721000 -166.888 -23.9281 57.6669 -185.543 -160.527 -45.5745 -29.9232 2.70115 48.7799 PRESSAVG: 4721000 -44.8486 -56.6029 15.2183 -56.6029 59.7743 35.1296 15.2183 35.1297 1.78718 GPRESSAVG: 4721000 -45.8999 -55.2402 15.8314 -56.2702 60.9387 34.3229 14.5526 35.5733 1.91177 TIMING: 4721000 CPU: 15003.5, 0.00319816/step Wall: 15003.5, 0.00319816/step, 0.247857 hours remaining, 238.355469 MB of memory in use. ENERGY: 4721000 3973.1154 20495.8953 14496.8382 268.0518 -203163.5862 2233.8871 0.0000 0.0000 52133.6475 -109562.1509 299.6128 -161695.7985 -109207.4351 299.4846 -119.8509 -92.8784 762974.5023 5.5709 5.6502 PRESSURE: 4721200 -185.817 -143.138 -53.7024 -143.137 -203.162 -172.864 -53.7029 -172.863 16.2269 GPRESSURE: 4721200 -161.105 -145.26 -22.8283 -238.365 -156.644 -156.236 -56.8834 -112.981 18.0403 PRESSAVG: 4721200 -4.63313 -57.1307 -25.9007 -57.1307 -0.792134 -17.7067 -25.9007 -17.7067 -0.864522 GPRESSAVG: 4721200 -3.82826 -57.3708 -24.697 -57.6681 -1.51332 -15.3442 -26.103 -19.0648 -1.38368 TIMING: 4721200 CPU: 15004.2, 0.00317374/step Wall: 15004.2, 0.00317374/step, 0.245788 hours remaining, 238.355469 MB of memory in use. ENERGY: 4721200 4089.8885 20496.1992 14485.2721 255.7920 -203404.2027 2562.6218 0.0000 0.0000 52248.6526 -109265.7766 300.2737 -161514.4292 -108901.3503 299.5180 -124.2508 -99.9031 762014.0755 -2.0966 -2.2418 PRESSURE: 4721400 -80.3793 -139.709 -68.7361 -139.709 349.289 -87.636 -68.736 -87.6371 -319.248 GPRESSURE: 4721400 10.9807 -84.0607 -77.275 -106.62 286.123 4.80682 28.4512 -126.225 -267.618 PRESSAVG: 4721400 22.108 -23.2635 32.5372 -23.2635 74.5634 51.109 32.5372 51.1091 -6.76359 GPRESSAVG: 4721400 21.7131 -22.608 30.4542 -23.0324 74.9995 52.1599 31.1321 50.266 -6.38732 TIMING: 4721400 CPU: 15004.8, 0.00317887/step Wall: 15004.8, 0.00317887/step, 0.246009 hours remaining, 238.355469 MB of memory in use. ENERGY: 4721400 4099.0249 20455.1710 14394.3273 237.4745 -203265.0101 2567.1251 0.0000 0.0000 52247.5214 -109264.3659 300.2672 -161511.8873 -108902.2265 299.9026 -16.7793 9.8284 761338.2390 29.9693 30.1084 PRESSURE: 4721600 -127.27 -149.946 -163.236 -149.946 29.9977 214.49 -163.236 214.489 -141.5 GPRESSURE: 4721600 -32.3276 -125.435 -130.18 -218.724 56.1631 190.762 -191.97 210.456 -150.947 PRESSAVG: 4721600 -35.2209 -25.6084 -14.7241 -25.6083 32.3426 25.5019 -14.7241 25.502 -10.4437 GPRESSAVG: 4721600 -34.0844 -27.1913 -12.0571 -25.8662 32.2924 23.0334 -15.1273 29.2949 -11.3665 TIMING: 4721600 CPU: 15005.4, 0.00322559/step Wall: 15005.4, 0.00322559/step, 0.249446 hours remaining, 238.355469 MB of memory in use. ENERGY: 4721600 3977.2590 20646.9767 14511.3633 249.7146 -203248.8803 2468.6946 0.0000 0.0000 52062.1599 -109332.7122 299.2019 -161394.8721 -108982.0101 299.5905 -79.5906 -42.3706 762011.0434 -4.4406 -4.3862 PRESSURE: 4721800 -289.817 -107.379 196.729 -107.378 -392.101 -89.244 196.729 -89.243 -395.162 GPRESSURE: 4721800 -316.261 -143.251 234.732 -144.361 -278.698 -33.6417 88.1027 -73.1429 -401.995 PRESSAVG: 4721800 -22.9953 -51.8912 -10.0466 -51.8911 11.3966 25.0464 -10.0465 25.0464 -3.44953 GPRESSAVG: 4721800 -23.363 -49.6761 -11.621 -52.3556 11.4718 26.8976 -8.84503 24.3042 -3.7134 TIMING: 4721800 CPU: 15006.1, 0.00318326/step Wall: 15006.1, 0.00318326/step, 0.245995 hours remaining, 238.355469 MB of memory in use. ENERGY: 4721800 4042.1940 20619.4962 14473.6554 223.5384 -203009.4143 2067.0370 0.0000 0.0000 52203.8671 -109379.6261 300.0163 -161583.4933 -109021.2183 299.8643 -359.0267 -332.3177 761580.6835 -5.0161 -5.2015 PRESSURE: 4722000 -196.62 -104.333 -160.868 -104.332 -341.628 -91.4637 -160.867 -91.4641 -411.737 GPRESSURE: 4722000 -99.5164 -116.457 -111.556 -140.169 -374.989 -110.918 -106.953 -109.983 -367.898 PRESSAVG: 4722000 -50.5897 -59.2482 -16.4223 -59.2482 84.3512 57.292 -16.4224 57.2921 -13.8896 GPRESSAVG: 4722000 -51.0269 -59.8042 -17.0211 -60.4048 83.5351 55.6984 -17.0781 57.7739 -12.436 TIMING: 4722000 CPU: 15006.7, 0.00318751/step Wall: 15006.7, 0.00318751/step, 0.246147 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4722000 4062.2562 20613.5552 14450.5327 245.5530 -203432.6690 2538.7028 0.0000 0.0000 51941.3250 -109580.7440 298.5075 -161522.0690 -109223.4120 299.5256 -316.6615 -280.8009 761048.4602 6.6240 6.6907 PRESSURE: 4722200 -87.4349 -55.79 -36.059 -55.7903 -81.2841 -0.374848 -36.0595 -0.375401 276.01 GPRESSURE: 4722200 -91.7364 -208.435 -99.2988 -86.2045 -59.5686 22.4554 27.0032 20.6899 346.402 PRESSAVG: 4722200 -24.2513 -37.2378 -6.37502 -37.2378 10.2698 -1.56671 -6.37511 -1.56675 3.98601 GPRESSAVG: 4722200 -23.2486 -39.027 -6.54195 -35.3879 9.81612 -2.8356 -5.23039 -0.457192 3.10301 TIMING: 4722200 CPU: 15007.3, 0.0031727/step Wall: 15007.3, 0.0031727/step, 0.244826 hours remaining, 238.355469 MB of memory in use. ENERGY: 4722200 3921.0841 20573.0237 14519.8855 246.7190 -203441.2214 2387.6624 0.0000 0.0000 52240.2966 -109552.5501 300.2257 -161792.8467 -109181.8099 299.5495 35.7637 65.0324 760664.3622 -3.3318 -3.4432 PRESSURE: 4722400 158.473 63.1786 95.6451 63.1797 -69.4242 2.55773 95.6458 2.55733 148.569 GPRESSURE: 4722400 159.205 33.5593 -41.4669 70.5913 65.0925 93.1534 59.1255 -57.5448 120.609 PRESSAVG: 4722400 -74.5577 -16.75 -43.3862 -16.75 89.35 35.596 -43.3862 35.5959 8.8196 GPRESSAVG: 4722400 -75.5647 -16.965 -41.9758 -16.7739 89.1893 36.8813 -44.3352 35.243 9.67547 TIMING: 4722400 CPU: 15008, 0.00317295/step Wall: 15008, 0.00317295/step, 0.24467 hours remaining, 238.355469 MB of memory in use. ENERGY: 4722400 3976.1204 20520.1188 14531.3864 232.2050 -203418.8522 2607.0210 0.0000 0.0000 52242.3474 -109309.6532 300.2375 -161552.0006 -108939.7150 299.8409 79.2061 114.9687 760594.3527 7.8707 7.7667 PRESSURE: 4722600 -151.958 -41.9318 222.97 -41.931 56.7279 60.2048 222.969 60.2059 323.144 GPRESSURE: 4722600 -56.8818 -11.7191 180.047 -79.3883 17.3464 21.3595 164.993 81.0892 353.671 PRESSAVG: 4722600 -25.6556 -32.4732 -14.2367 -32.4731 -27.538 -37.0409 -14.2367 -37.0409 -15.7689 GPRESSAVG: 4722600 -25.1001 -31.764 -14.5412 -33.8883 -27.2311 -38.6971 -15.0407 -37.3853 -16.3628 TIMING: 4722600 CPU: 15008.6, 0.00318294/step Wall: 15008.6, 0.00318294/step, 0.245263 hours remaining, 238.355469 MB of memory in use. ENERGY: 4722600 4005.4308 20486.7344 14509.6963 234.9099 -202966.2021 2288.6243 0.0000 0.0000 52230.5493 -109210.2571 300.1697 -161440.8064 -108838.5160 299.8587 75.9713 104.7118 760208.5826 -22.9875 -22.8980 PRESSURE: 4722800 152.307 -193.513 -164.121 -193.513 -139.379 -76.3863 -164.121 -76.3869 192.57 GPRESSURE: 4722800 165.014 -162.163 -122.405 -99.258 -84.9835 -108.562 -81.6884 -5.25229 210.428 PRESSAVG: 4722800 34.807 -42.948 -6.41756 -42.948 34.0163 3.19133 -6.41759 3.19131 3.75115 GPRESSAVG: 4722800 34.443 -41.4038 -5.60684 -40.8932 34.3197 5.56416 -5.50642 3.44487 3.85712 TIMING: 4722800 CPU: 15009.3, 0.00318287/step Wall: 15009.3, 0.00318287/step, 0.245081 hours remaining, 238.355469 MB of memory in use. ENERGY: 4722800 3983.9542 20529.9887 14460.0463 253.9279 -203542.9418 2641.3217 0.0000 0.0000 52454.8103 -109218.8927 301.4585 -161673.7030 -108851.3652 300.2143 68.4992 96.8193 759789.4518 24.1915 24.2066 PRESSURE: 4723000 106.682 244.672 -141.883 244.672 -237.139 -45.5257 -141.883 -45.5252 277.66 GPRESSURE: 4723000 56.1489 242.849 -175.774 94.6821 -124.636 -17.6015 -146.708 -19.328 282.605 PRESSAVG: 4723000 -36.2109 -40.9637 8.03055 -40.9636 27.2638 -67.7133 8.03058 -67.7132 10.3135 GPRESSAVG: 4723000 -36.4826 -44.0808 8.02922 -39.9228 27.4505 -68.4276 6.05531 -66.0988 10.0182 TIMING: 4723000 CPU: 15009.9, 0.00318838/step Wall: 15009.9, 0.00318838/step, 0.245328 hours remaining, 238.355469 MB of memory in use. ENERGY: 4723000 3991.1211 20669.5765 14489.6695 265.6103 -203060.4808 2359.6690 0.0000 0.0000 51867.4451 -109417.3892 298.0829 -161284.8343 -109052.5407 299.8905 49.0678 71.3729 761883.4678 0.4555 0.3287 PRESSURE: 4723200 359.992 -5.1887 -18.6803 -5.1892 199.54 199.528 -18.6809 199.528 184.032 GPRESSURE: 4723200 347.421 -4.59255 -4.30373 15.6095 206.354 116.255 -3.44674 287.936 254.911 PRESSAVG: 4723200 -42.5484 -27.8092 2.59076 -27.8093 9.26006 32.0451 2.59068 32.0451 -3.88897 GPRESSAVG: 4723200 -42.0253 -27.5475 3.21339 -28.7911 8.36661 33.2393 4.3057 29.5822 -3.92387 TIMING: 4723200 CPU: 15010.5, 0.00316582/step Wall: 15010.5, 0.00316582/step, 0.243417 hours remaining, 238.355469 MB of memory in use. ENERGY: 4723200 3913.2138 20412.8163 14462.6851 260.0659 -203286.9689 2601.2022 0.0000 0.0000 52200.4401 -109436.5456 299.9966 -161636.9857 -109057.9462 299.5023 247.8546 269.5619 761007.9093 -12.3924 -12.5275 PRESSURE: 4723400 65.4002 -166.256 116.78 -166.254 75.519 60.6706 116.781 60.6708 -250.127 GPRESSURE: 4723400 70.5586 -155.195 200.192 -122.67 62.0648 187.949 -37.5842 23.0558 -166.113 PRESSAVG: 4723400 -9.44832 9.30972 4.61402 9.30972 27.651 14.3717 4.61406 14.3718 -1.31034 GPRESSAVG: 4723400 -9.81684 13.1322 3.26158 6.29432 27.4202 13.7967 4.81564 15.3997 -0.87452 TIMING: 4723400 CPU: 15011.2, 0.00317673/step Wall: 15011.2, 0.00317673/step, 0.244079 hours remaining, 238.355469 MB of memory in use. ENERGY: 4723400 4037.2820 20506.9680 14492.5573 209.1749 -203173.9720 2299.5608 0.0000 0.0000 52270.9474 -109357.4816 300.4019 -161628.4290 -108991.9234 299.9567 -36.4024 -11.1632 761497.0538 5.6308 5.5763 PRESSURE: 4723600 65.8499 -233.905 147.913 -233.906 -376.547 -162.379 147.913 -162.379 -242.136 GPRESSURE: 4723600 80.8153 -96.2454 148.305 -183.282 -295.622 -88.2511 -32.9323 -163.857 -231.385 PRESSAVG: 4723600 40.1831 -38.3158 -9.87407 -38.3158 -57.5173 22.2044 -9.87403 22.2045 -10.8885 GPRESSAVG: 4723600 39.7421 -37.1569 -10.3354 -38.1138 -56.6741 21.7947 -10.4183 20.2159 -11.4017 TIMING: 4723600 CPU: 15011.8, 0.00317807/step Wall: 15011.8, 0.00317807/step, 0.244005 hours remaining, 238.355469 MB of memory in use. ENERGY: 4723600 3975.0925 20556.2498 14428.8236 243.9516 -202960.7936 2226.3477 0.0000 0.0000 52168.8231 -109361.5053 299.8149 -161530.3284 -109002.3508 299.6563 -184.2778 -148.7307 760506.5224 -9.4076 -9.4446 PRESSURE: 4723800 -138.423 236.937 -40.9925 236.938 -127.139 -54.9406 -40.9928 -54.9392 177.578 GPRESSURE: 4723800 -102.779 302.064 -6.77764 98.8448 -43.7751 -103.109 -37.8248 -139.737 162.992 PRESSAVG: 4723800 -16.438 27.3103 -11.9386 27.3103 8.22465 17.9851 -11.9385 17.9852 17.1959 GPRESSAVG: 4723800 -16.4819 23.6683 -13.6058 29.707 7.73266 19.824 -10.7733 17.99 17.4663 TIMING: 4723800 CPU: 15012.4, 0.00318745/step Wall: 15012.4, 0.00318745/step, 0.244548 hours remaining, 238.355469 MB of memory in use. ENERGY: 4723800 3966.4102 20625.5930 14438.1094 238.4411 -203217.1031 2370.3545 0.0000 0.0000 52104.2083 -109473.9866 299.4436 -161578.1949 -109113.5598 299.2659 -29.3279 5.4793 761965.8365 2.9942 2.9057 PRESSURE: 4724000 201.703 -96.2057 107.427 -96.2059 -27.4138 52.0168 107.427 52.0169 -51.2875 GPRESSURE: 4724000 203.011 -92.1217 120.572 -45.0398 -14.232 131.619 98.0503 72.1559 17.0961 PRESSAVG: 4724000 33.8346 -17.449 1.41181 -17.4491 -12.7801 -4.8872 1.41176 -4.88722 -4.80447 GPRESSAVG: 4724000 33.7587 -15.767 4.73762 -18.3135 -12.8925 -5.26105 0.976487 -4.08476 -4.99393 TIMING: 4724000 CPU: 15013.1, 0.00318414/step Wall: 15013.1, 0.00318414/step, 0.244117 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4724000 4027.3572 20640.8507 14492.2577 230.2778 -202875.6747 2175.5457 0.0000 0.0000 52048.9008 -109260.4848 299.1257 -161309.3857 -108900.9984 299.2719 41.0006 68.6250 760886.0052 5.4167 5.2908 PRESSURE: 4724200 -332.112 130.509 104.555 130.508 -189.657 52.3541 104.555 52.3533 -109.938 GPRESSURE: 4724200 -246.623 124.764 146.548 66.5542 -214.006 -46.7601 197.816 134.674 -78.1994 PRESSAVG: 4724200 -4.15775 17.1451 12.4846 17.1452 -4.24036 49.3098 12.4847 49.3097 12.9161 GPRESSAVG: 4724200 -3.715 14.8401 12.0707 18.6439 -3.99057 48.168 13.1845 49.6102 12.9628 TIMING: 4724200 CPU: 15013.7, 0.0032/step Wall: 15013.7, 0.0032/step, 0.245155 hours remaining, 238.355469 MB of memory in use. ENERGY: 4724200 3940.0998 20668.5913 14452.5967 249.5030 -203163.0009 2400.3625 0.0000 0.0000 52284.7477 -109167.0998 300.4812 -161451.8475 -108805.8351 300.2240 -210.5690 -179.6094 760974.9345 1.5060 1.7524 LDB: ============= START OF LOAD BALANCING ============== 15026.1 LDB: ============== END OF LOAD BALANCING =============== 15026.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15026.1 LDB: ============= START OF LOAD BALANCING ============== 15026.4 LDB: Largest compute 7075 load 0.036317 is 18.5% of average load 0.196009 LDB: Average compute 0.004404 is 2.2% of average load 0.196009 LDB: TIME 15026.4 LOAD: AVG 0.196009 MAX 0.231694 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 15026.4 LOAD: AVG 0.196009 MAX 0.231694 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 15026.4 LOAD: AVG 0.196009 MAX 0.231694 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 15026.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15026.4 PRESSURE: 4724400 -182.531 -30.0032 74.0176 -30.004 30.2498 319.449 74.0177 319.449 269.477 GPRESSURE: 4724400 -104.913 171.249 47.5802 29.481 52.8507 326.236 -20.2997 344.804 258.353 PRESSAVG: 4724400 32.2554 22.8835 -67.6645 22.8836 1.04485 36.6262 -67.6645 36.6263 4.69027 GPRESSAVG: 4724400 32.3173 26.517 -68.5718 22.3633 1.42362 35.7131 -68.3276 37.1122 4.31354 TIMING: 4724400 CPU: 15014.4, 0.00327372/step Wall: 15014.4, 0.00327372/step, 0.250621 hours remaining, 239.316406 MB of memory in use. ENERGY: 4724400 3990.0647 20729.2101 14489.1584 265.2073 -202739.5568 2239.8287 0.0000 0.0000 51941.1799 -109084.9077 298.5067 -161026.0876 -108725.2963 299.8880 39.0652 68.7635 762590.0001 12.6635 12.6848 PRESSURE: 4724600 85.9752 81.8951 111.457 81.8954 -72.6714 70.0498 111.457 70.051 -263.314 GPRESSURE: 4724600 51.5839 -14.6849 69.7877 20.9621 53.3959 9.67194 -63.3764 96.0831 -263.872 PRESSAVG: 4724600 84.6584 -1.45102 -25.2532 -1.45091 -37.5963 18.9856 -25.2532 18.9856 5.90281 GPRESSAVG: 4724600 84.0871 -4.84409 -25.2017 -1.02356 -37.5149 19.4349 -25.7747 19.1405 6.60754 TIMING: 4724600 CPU: 15015, 0.00319489/step Wall: 15015, 0.00319488/step, 0.244409 hours remaining, 239.316406 MB of memory in use. ENERGY: 4724600 3915.6560 20624.1756 14488.2253 244.4257 -202801.9818 2175.9995 0.0000 0.0000 52307.1703 -109046.3295 300.6100 -161353.4998 -108687.6151 300.0139 -83.3366 -52.9640 761043.6374 17.6550 17.7266 PRESSURE: 4724800 -365.847 -7.42363 92.6658 -7.42376 -429.773 61.3847 92.6666 61.3839 -67.5501 GPRESSURE: 4724800 -318.485 71.2143 170.018 -106.327 -382.588 -45.0883 18.6208 33.6827 -58.3112 PRESSAVG: 4724800 -36.8552 -3.8279 7.42797 -3.82789 -8.28452 -45.8012 7.42798 -45.8012 -8.9774 GPRESSAVG: 4724800 -35.1375 -2.64801 7.6208 -3.89567 -8.29258 -45.5715 5.67122 -46.3949 -10.2199 TIMING: 4724800 CPU: 15015.6, 0.00319433/step Wall: 15015.6, 0.00319433/step, 0.244189 hours remaining, 239.316406 MB of memory in use. ENERGY: 4724800 4062.8267 20550.1886 14506.4598 250.1409 -202697.2231 2246.3729 0.0000 0.0000 52060.7425 -109020.4917 299.1938 -161081.2342 -108654.8185 299.9867 -287.7234 -253.1281 762374.2227 -18.0390 -17.8833 PRESSURE: 4725000 43.2224 189.503 -137.993 189.504 16.2347 -93.0521 -137.993 -93.052 -155.85 GPRESSURE: 4725000 94.7206 110.912 -117.105 164.918 69.6708 -40.7782 -92.7884 -178.344 -161.106 PRESSAVG: 4725000 -22.9643 -6.67695 27.7657 -6.67699 33.4818 -20.3485 27.7658 -20.3485 11.7035 GPRESSAVG: 4725000 -24.0941 -7.59344 27.938 -7.80492 33.3546 -19.5925 28.943 -19.7139 13.1295 TIMING: 4725000 CPU: 15016.3, 0.00319541/step Wall: 15016.3, 0.00319541/step, 0.244094 hours remaining, 239.316406 MB of memory in use. ENERGY: 4725000 3945.5359 20595.8037 14482.5615 234.3854 -203202.6358 2525.3903 0.0000 0.0000 52222.8150 -109196.1440 300.1252 -161418.9590 -108829.3166 300.0896 -32.1309 1.0952 760705.7738 7.4070 7.4634 PRESSURE: 4725200 170.156 44.6648 -334.684 44.6655 -153.288 -16.0419 -334.683 -16.0413 -139.954 GPRESSURE: 4725200 176.502 -36.2458 -429.644 100.568 -90.9622 -70.0501 -70.616 -68.8565 -128.905 PRESSAVG: 4725200 10.1085 28.1437 -29.0306 28.1437 9.89253 49.0299 -29.0306 49.0298 13.1882 GPRESSAVG: 4725200 11.0752 28.6898 -29.8131 29.5375 9.48089 45.8413 -25.8957 47.0566 12.9527 TIMING: 4725200 CPU: 15016.9, 0.00316795/step Wall: 15016.9, 0.00316795/step, 0.24182 hours remaining, 239.316406 MB of memory in use. ENERGY: 4725200 4053.1018 20708.9889 14483.1020 257.0135 -203002.2507 2350.9261 0.0000 0.0000 52039.4154 -109109.7030 299.0712 -161149.1183 -108757.0662 300.3025 -41.0287 -14.4549 760811.2734 11.0631 11.1696 PRESSURE: 4725400 -115.109 39.0581 -152.774 39.059 -72.0541 -7.50411 -152.774 -7.50396 312.246 GPRESSURE: 4725400 -184.319 68.7656 -100.215 10.764 1.214 7.49688 -209.648 -10.5408 371.175 PRESSAVG: 4725400 48.9149 -21.2602 -43.3325 -21.2602 -13.1707 8.83203 -43.3326 8.83199 4.834 GPRESSAVG: 4725400 49.4497 -20.9651 -41.376 -23.5779 -13.4547 11.3536 -47.0671 9.55965 4.69342 TIMING: 4725400 CPU: 15017.6, 0.00316849/step Wall: 15017.6, 0.00316849/step, 0.241685 hours remaining, 239.316406 MB of memory in use. ENERGY: 4725400 4038.3272 20611.5531 14541.3239 254.6823 -203435.7109 2539.5376 0.0000 0.0000 52396.2779 -109054.0088 301.1221 -161450.2867 -108685.7054 300.4658 41.6943 62.6898 760149.6274 13.5261 13.5628 PRESSURE: 4725600 -207.815 63.3667 100.566 63.3671 -610.899 147.703 100.566 147.703 -925.494 GPRESSURE: 4725600 -156.175 12.1853 136.919 122.326 -525.22 167.693 213.298 133.879 -967.614 PRESSAVG: 4725600 -24.6994 -36.7639 -15.0444 -36.7639 -0.337794 -20.9466 -15.0444 -20.9466 1.29341 GPRESSAVG: 4725600 -25.3416 -35.6398 -16.5827 -37.5609 0.543656 -21.3877 -14.2961 -20.1046 1.13384 TIMING: 4725600 CPU: 15018.2, 0.00318984/step Wall: 15018.2, 0.00318984/step, 0.243136 hours remaining, 239.316406 MB of memory in use. ENERGY: 4725600 4052.2028 20390.6751 14411.0907 250.7746 -202552.9488 2026.2180 0.0000 0.0000 52318.7437 -109103.2439 300.6765 -161421.9876 -108729.9839 300.1302 -581.4025 -549.6697 763055.3701 -7.9146 -7.8880 PRESSURE: 4725800 -79.4761 10.028 -51.2233 10.0284 134.885 61.0771 -51.2244 61.0766 -15.5392 GPRESSURE: 4725800 -37.0848 45.6432 -70.0497 8.71511 182.092 72.8898 -50.4774 -110.697 -17.0577 PRESSAVG: 4725800 57.6642 -18.989 1.71924 -18.9889 1.35601 -48.245 1.71928 -48.2451 -32.4665 GPRESSAVG: 4725800 57.7847 -18.824 1.99335 -16.523 1.46132 -48.7132 2.1864 -47.7221 -32.6571 TIMING: 4725800 CPU: 15018.8, 0.00317187/step Wall: 15018.8, 0.00317187/step, 0.241591 hours remaining, 239.316406 MB of memory in use. ENERGY: 4725800 4006.4000 20732.8001 14455.5291 255.7533 -203251.8519 2456.8370 0.0000 0.0000 52165.1149 -109179.4174 299.7936 -161344.5323 -108811.4389 299.9724 13.2900 42.6498 761563.5198 8.8512 8.8630 PRESSURE: 4726000 139.509 -37.2829 102.32 -37.283 238.508 314.969 102.32 314.969 434.055 GPRESSURE: 4726000 222.309 -73.5617 70.7748 -125.662 306.766 295.511 110.498 283.03 350.263 PRESSAVG: 4726000 44.0476 -31.2852 -27.1441 -31.2852 19.0627 30.1284 -27.144 30.1284 4.92844 GPRESSAVG: 4726000 44.2908 -31.8181 -28.2564 -32.6126 18.8828 30.8309 -27.9672 29.4884 4.95027 TIMING: 4726000 CPU: 15019.5, 0.00319401/step Wall: 15019.5, 0.00319401/step, 0.243099 hours remaining, 239.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4726000 3993.1865 20381.4368 14393.2856 270.4221 -203540.4294 2703.7307 0.0000 0.0000 52292.1453 -109506.2224 300.5237 -161798.3677 -109136.2239 299.7103 270.6909 293.1127 759219.5542 22.6796 22.7080 PRESSURE: 4726200 12.0173 20.0673 92.108 20.0665 -105.851 121.342 92.1067 121.342 -278.526 GPRESSURE: 4726200 45.0556 -90.9165 59.4835 33.6533 -80.7966 166.646 89.7184 56.2286 -245.869 PRESSAVG: 4726200 -29.5559 -30.5245 16.987 -30.5246 52.6439 1.85765 16.987 1.85767 -24.893 GPRESSAVG: 4726200 -29.6057 -32.6869 18.6103 -30.2658 52.5453 2.39093 16.8086 3.68452 -24.5578 TIMING: 4726200 CPU: 15020.1, 0.00317524/step Wall: 15020.1, 0.00317524/step, 0.241494 hours remaining, 239.316406 MB of memory in use. ENERGY: 4726200 4027.8030 20389.9426 14445.1485 250.3577 -203179.0501 2402.1734 0.0000 0.0000 51867.7926 -109795.8323 298.0849 -161663.6248 -109432.9520 298.8362 -124.1199 -93.8699 761639.4739 -0.6017 -0.5394 PRESSURE: 4726400 71.8266 -115.577 -83.1082 -115.578 -74.0951 191.522 -83.109 191.521 81.7825 GPRESSURE: 4726400 117.986 -47.1842 -150.018 -90.6538 -23.1233 233.596 -9.96887 201.175 86.3448 PRESSAVG: 4726400 -55.3196 -38.478 12.7628 -38.478 19.3731 -10.5397 12.7628 -10.5397 -1.45115 GPRESSAVG: 4726400 -55.8482 -36.3159 13.4486 -39.5305 19.0591 -10.8795 12.2066 -12.3354 -0.327901 TIMING: 4726400 CPU: 15020.7, 0.00319753/step Wall: 15020.7, 0.00319753/step, 0.243013 hours remaining, 239.316406 MB of memory in use. ENERGY: 4726400 4033.8012 20301.8822 14440.6218 251.4642 -203241.8598 2307.5949 0.0000 0.0000 52143.7204 -109762.7750 299.6707 -161906.4954 -109402.7919 299.0243 26.5047 60.4027 758647.8432 -12.4659 -12.3724 PRESSURE: 4726600 -454.118 -167.768 -228.755 -167.768 -201.021 -197.973 -228.755 -197.974 -138.186 GPRESSURE: 4726600 -359.049 -184.627 -158.109 -173.056 -177.518 -104.107 -197.661 -168.831 -168.972 PRESSAVG: 4726600 -72.7125 -41.9306 -41.8977 -41.9306 84.0265 24.714 -41.8977 24.714 -0.98762 GPRESSAVG: 4726600 -71.0672 -42.7281 -41.8959 -39.8757 84.0024 25.1844 -39.4499 25.9737 -1.56854 TIMING: 4726600 CPU: 15021.4, 0.00321147/step Wall: 15021.4, 0.00321147/step, 0.243894 hours remaining, 239.316406 MB of memory in use. ENERGY: 4726600 3994.9768 20591.8004 14439.9811 262.2645 -203153.9364 2266.6865 0.0000 0.0000 51723.9034 -109874.3236 297.2580 -161598.2270 -109515.0093 298.6819 -264.4417 -235.1795 759758.4526 3.4421 3.7889 PRESSURE: 4726800 459.245 101.652 199.455 101.652 163.029 -57.2205 199.454 -57.2206 19.4714 GPRESSURE: 4726800 497.565 156.963 127.506 -14.1854 200.186 3.29625 92.9091 22.6174 26.9107 PRESSAVG: 4726800 42.2279 -79.1473 -15.2707 -79.1473 -35.7894 7.86021 -15.2708 7.86018 -19.1075 GPRESSAVG: 4726800 42.4391 -79.3243 -16.9437 -78.1 -36.2619 7.02036 -17.061 5.00304 -18.6051 TIMING: 4726800 CPU: 15022, 0.00319592/step Wall: 15022, 0.00319592/step, 0.242535 hours remaining, 239.316406 MB of memory in use. ENERGY: 4726800 3931.9585 20566.1725 14479.5687 269.4828 -203363.7082 2544.8965 0.0000 0.0000 51998.4782 -109573.1510 298.8360 -161571.6292 -109223.1815 298.6930 213.9152 241.5539 759000.7962 -4.2230 -4.1426 PRESSURE: 4727000 112.426 141.544 226.143 141.544 -212.514 -24.4604 226.142 -24.4603 14.0229 GPRESSURE: 4727000 203.989 133.932 213.348 -19.9597 -172.33 -48.0765 324.828 65.5794 -36.0037 PRESSAVG: 4727000 29.6124 -19.4951 15.1429 -19.4951 -36.0024 -5.23284 15.1429 -5.23277 19.1752 GPRESSAVG: 4727000 29.1385 -20.3702 15.4701 -21.2861 -36.1342 -4.72049 16.0243 -2.95045 18.987 TIMING: 4727000 CPU: 15022.7, 0.00317266/step Wall: 15022.7, 0.00317266/step, 0.240593 hours remaining, 239.316406 MB of memory in use. ENERGY: 4727000 3897.9616 20471.9638 14359.8937 246.3679 -203349.8577 2570.1142 0.0000 0.0000 52389.8006 -109413.7558 301.0849 -161803.5564 -109055.1626 299.1382 -28.6886 -1.4485 761153.3316 4.2617 3.9971 PRESSURE: 4727200 -264.407 113.727 -289.394 113.727 -100.883 204.695 -289.393 204.696 39.5478 GPRESSURE: 4727200 -312.06 -36.2241 -229.26 47.0208 -42.1137 217.801 -124.457 140.14 123.443 PRESSAVG: 4727200 13.7465 10.3371 -10.2747 10.3371 -45.6047 -2.10669 -10.2747 -2.10669 20.0225 GPRESSAVG: 4727200 12.3344 10.2785 -7.80192 10.7853 -44.3857 -0.144657 -9.9836 -3.32977 20.3219 TIMING: 4727200 CPU: 15023.3, 0.00316234/step Wall: 15023.3, 0.00316234/step, 0.239635 hours remaining, 239.316406 MB of memory in use. ENERGY: 4727200 3951.0136 20447.7591 14504.5285 247.7564 -203134.2358 2463.7671 0.0000 0.0000 51926.5175 -109592.8936 298.4224 -161519.4111 -109229.0523 299.5271 -108.5810 -76.9103 762037.2621 -3.9452 -3.9098 PRESSURE: 4727400 -186.96 -156.511 349.494 -156.511 -127.648 -65.0182 349.494 -65.0181 -263.967 GPRESSURE: 4727400 -99.1216 -102.389 266.109 -147.876 -174.659 -90.3619 425.545 80.1798 -189.884 PRESSAVG: 4727400 0.858444 -58.9845 24.59 -58.9845 -14.3096 18.5922 24.59 18.5923 11.4383 GPRESSAVG: 4727400 2.5795 -56.6584 23.8277 -58.311 -16.2222 15.8856 23.878 17.7382 12.1881 TIMING: 4727400 CPU: 15023.9, 0.00320171/step Wall: 15023.9, 0.00320171/step, 0.242441 hours remaining, 239.316406 MB of memory in use. ENERGY: 4727400 3974.0275 20602.0018 14437.5171 240.9555 -202938.2317 2380.8646 0.0000 0.0000 51997.3179 -109305.5474 298.8293 -161302.8653 -108946.6746 299.1977 -192.8584 -154.5549 762528.2313 -0.6710 -0.4849 PRESSURE: 4727600 -36.0057 70.7788 -64.3837 70.7791 -37.3128 89.2141 -64.3838 89.2122 -142.542 GPRESSURE: 4727600 -49.3936 -122.962 -84.519 174.359 31.9636 130.047 -10.1537 120.395 -123.429 PRESSAVG: 4727600 -7.34479 -38.4843 -11.8616 -38.4842 3.03252 -6.0861 -11.8616 -6.0861 -7.66746 GPRESSAVG: 4727600 -8.46936 -39.7811 -13.7285 -38.0524 4.8748 -6.24608 -11.3691 -3.68395 -8.81273 TIMING: 4727600 CPU: 15024.6, 0.00320254/step Wall: 15024.6, 0.00320254/step, 0.242325 hours remaining, 239.316406 MB of memory in use. ENERGY: 4727600 3919.3428 20780.9334 14500.9266 263.8231 -203066.4468 2323.7615 0.0000 0.0000 52121.3678 -109156.2917 299.5422 -161277.6595 -108791.2706 299.8515 -71.9535 -46.9529 762057.2384 -3.9932 -4.1358 PRESSURE: 4727800 28.2768 210.399 -40.1409 210.399 28.1606 -130.445 -40.1402 -130.445 -170.807 GPRESSURE: 4727800 118.829 184.138 -17.2141 292.324 9.60903 -160.813 -2.17476 -64.564 -169.854 PRESSAVG: 4727800 3.55121 39.2018 -23.9839 39.2018 -15.7049 43.6483 -23.9839 43.6483 -0.939224 GPRESSAVG: 4727800 3.64179 39.3223 -22.3671 37.8215 -16.4492 44.285 -24.4164 43.6625 -0.151281 TIMING: 4727800 CPU: 15025.2, 0.00321336/step Wall: 15025.2, 0.00321336/step, 0.242965 hours remaining, 239.316406 MB of memory in use. ENERGY: 4727800 3981.8666 20593.9239 14441.1390 263.0456 -203285.2503 2540.5358 0.0000 0.0000 52146.5573 -109318.1821 299.6870 -161464.7394 -108948.6819 300.2039 -38.1231 -13.8050 761694.0518 -4.3643 -4.3196 PRESSURE: 4728000 47.3649 78.2355 97.332 78.2359 7.09112 69.1003 97.3327 69.1002 -62.127 GPRESSURE: 4728000 60.22 11.584 204.406 112.221 37.3681 -74.3365 7.97765 39.0431 -24.7896 PRESSAVG: 4728000 12.1297 -4.13113 33.2147 -4.13111 9.18392 21.1203 33.2147 21.1204 -18.0153 GPRESSAVG: 4728000 11.6737 -3.41808 33.3938 -3.77722 9.27309 22.1492 30.3427 19.5603 -17.7143 TIMING: 4728000 CPU: 15025.9, 0.00321066/step Wall: 15025.9, 0.00321066/step, 0.242583 hours remaining, 239.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4728000 3998.1410 20563.6601 14474.3172 229.1904 -203350.8066 2574.3455 0.0000 0.0000 52112.2461 -109398.9062 299.4898 -161511.1523 -109044.9724 299.0030 -2.5570 24.2662 762073.2396 1.0995 1.0775 PRESSURE: 4728200 -104.723 -358.374 100.809 -358.373 -373.682 83.2331 100.809 83.2326 63.0797 GPRESSURE: 4728200 -52.466 -342.254 62.9101 -252.106 -331.726 41.9381 195.635 79.1681 57.1787 PRESSAVG: 4728200 28.1226 -24.3029 30.4442 -24.3029 -0.682412 -2.72595 30.4443 -2.72601 31.8959 GPRESSAVG: 4728200 28.2812 -26.0414 29.4853 -24.412 -0.0283724 -3.99173 32.0666 -0.353769 31.2893 TIMING: 4728200 CPU: 15026.5, 0.00320624/step Wall: 15026.5, 0.00320624/step, 0.242071 hours remaining, 239.316406 MB of memory in use. ENERGY: 4728200 3962.9139 20535.0915 14518.9821 248.9715 -202765.8764 2127.5171 0.0000 0.0000 51840.1350 -109532.2652 297.9260 -161372.4002 -109167.3512 299.2795 -138.4416 -109.0044 762668.8487 19.7787 19.8474 LDB: ============= START OF LOAD BALANCING ============== 15038.9 LDB: ============== END OF LOAD BALANCING =============== 15038.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15038.9 LDB: ============= START OF LOAD BALANCING ============== 15039.2 LDB: Largest compute 7049 load 0.035128 is 17.9% of average load 0.196041 LDB: Average compute 0.004387 is 2.2% of average load 0.196041 LDB: TIME 15039.2 LOAD: AVG 0.196041 MAX 0.224017 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.738 MB LDB: TIME 15039.2 LOAD: AVG 0.196041 MAX 0.224017 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.793 MB LDB: TIME 15039.2 LOAD: AVG 0.196041 MAX 0.224017 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.793 MB LDB: ============== END OF LOAD BALANCING =============== 15039.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15039.2 PRESSURE: 4728400 -229.602 -155.875 293.118 -155.875 -280.523 141.064 293.118 141.064 -152.498 GPRESSURE: 4728400 -224.95 -149.337 328.922 -199.262 -252.409 297.703 222.754 108.493 -96.3375 PRESSAVG: 4728400 41.965 -39.5832 -6.92019 -39.5832 -43.4851 -24.776 -6.92021 -24.7759 -5.67142 GPRESSAVG: 4728400 41.9153 -37.3433 -6.56103 -40.8086 -44.0032 -24.4945 -6.27438 -25.5443 -5.2728 TIMING: 4728400 CPU: 15027.1, 0.00326179/step Wall: 15027.1, 0.00326179/step, 0.246084 hours remaining, 239.757812 MB of memory in use. ENERGY: 4728400 4033.1514 20349.3716 14497.0799 228.1264 -203194.7140 2450.4855 0.0000 0.0000 52168.4250 -109468.0742 299.8127 -161636.4992 -109101.7729 299.3772 -220.8743 -191.2320 761530.3284 -2.3972 -2.4536 PRESSURE: 4728600 -116.13 12.4561 -202.299 12.4564 -356.013 113.284 -202.298 113.283 108.065 GPRESSURE: 4728600 -3.19042 2.68535 -51.5362 -7.85244 -357.073 111.508 -98.656 34.899 91.5381 PRESSAVG: 4728600 37.6151 -66.0967 -37.8455 -66.0968 -32.3271 -68.5134 -37.8455 -68.5134 -24.4749 GPRESSAVG: 4728600 37.4802 -67.0418 -38.6441 -65.6039 -32.6751 -67.5414 -34.9666 -67.6687 -23.9686 TIMING: 4728600 CPU: 15027.8, 0.00318962/step Wall: 15027.8, 0.00318962/step, 0.240462 hours remaining, 239.761719 MB of memory in use. ENERGY: 4728600 3968.2993 20596.6142 14434.0806 263.6810 -203284.3263 2495.8238 0.0000 0.0000 52053.4113 -109472.4161 299.1517 -161525.8274 -109114.9875 298.9643 -121.3593 -89.5752 761732.4926 -6.3956 -6.3878 PRESSURE: 4728800 238.095 166.367 205.492 166.366 -281.984 -68.8435 205.493 -68.8434 -101.691 GPRESSURE: 4728800 261.924 10.0717 238.872 152.867 -188.687 -146.564 175.761 -63.6468 -114.078 PRESSAVG: 4728800 52.8451 -44.2398 -2.12465 -44.2398 -52.6091 -32.6718 -2.12462 -32.6719 -11.1316 GPRESSAVG: 4728800 53.3823 -43.5907 -1.10785 -44.9599 -52.121 -34.6758 -3.91995 -32.4081 -12.5487 TIMING: 4728800 CPU: 15028.4, 0.00316849/step Wall: 15028.4, 0.0031685/step, 0.238693 hours remaining, 239.761719 MB of memory in use. ENERGY: 4728800 3994.0148 20592.0274 14352.9211 237.9982 -203337.0924 2691.1193 0.0000 0.0000 52036.7541 -109432.2575 299.0559 -161469.0116 -109068.1799 299.4533 -48.5270 -13.6135 761137.7603 -3.6319 -3.7625 PRESSURE: 4729000 62.1317 -57.4332 27.7567 -57.4331 1.38642 -57.628 27.7575 -57.6275 -123.497 GPRESSURE: 4729000 54.1775 -90.5659 62.3062 -5.80822 2.0569 -59.2607 -94.9177 8.70007 -40.8318 PRESSAVG: 4729000 64.556 -47.8596 13.0482 -47.8596 -11.4822 20.0065 13.0482 20.0065 20.0725 GPRESSAVG: 4729000 63.1346 -49.4434 12.6326 -48.1392 -11.1628 20.7432 12.0207 18.4315 20.9097 TIMING: 4729000 CPU: 15029, 0.00316267/step Wall: 15029, 0.00316267/step, 0.238079 hours remaining, 239.761719 MB of memory in use. ENERGY: 4729000 3942.8983 20677.3988 14461.1732 242.0566 -203228.5341 2447.6941 0.0000 0.0000 52031.9322 -109425.3810 299.0282 -161457.3131 -109061.4384 299.4124 -19.9931 5.1342 760476.1373 24.3821 24.2939 PRESSURE: 4729200 34.4892 -201.406 15.398 -201.406 -36.7737 -72.8214 15.398 -72.8205 -140.32 GPRESSURE: 4729200 71.7877 -187.308 33.2623 -95.6117 42.5651 -119.505 36.4158 -66.7687 -155.252 PRESSAVG: 4729200 30.8742 -31.979 19.0741 -31.979 -8.61772 -39.0052 19.074 -39.0053 -38.1826 GPRESSAVG: 4729200 31.1081 -31.4793 19.5599 -30.0144 -8.63295 -38.5855 19.8037 -38.7986 -37.9678 TIMING: 4729200 CPU: 15029.7, 0.00317605/step Wall: 15029.7, 0.00317605/step, 0.23891 hours remaining, 239.761719 MB of memory in use. ENERGY: 4729200 3931.0083 20481.9464 14504.2660 244.9073 -203366.6615 2635.8114 0.0000 0.0000 52100.4551 -109468.2671 299.4220 -161568.7222 -109099.2715 299.7986 -47.5349 -13.6329 760385.2798 -5.3087 -5.1642 PRESSURE: 4729400 -492.57 55.0738 67.333 55.0734 -226.222 -105.009 67.333 -105.008 38.6938 GPRESSURE: 4729400 -463.378 53.1748 41.6364 121.16 -180.78 -52.8796 37.3521 -64.6886 45.4453 PRESSAVG: 4729400 41.954 -15.3946 -59.2082 -15.3946 -52.1067 7.62136 -59.2082 7.62127 5.15223 GPRESSAVG: 4729400 41.5546 -15.9628 -59.1082 -14.8829 -51.0996 7.12614 -60.1137 7.32049 4.03067 TIMING: 4729400 CPU: 15030.3, 0.00318781/step Wall: 15030.3, 0.00318781/step, 0.239617 hours remaining, 239.761719 MB of memory in use. ENERGY: 4729400 4131.7616 20529.6027 14431.0732 245.3090 -203576.2019 2573.9852 0.0000 0.0000 52274.3161 -109390.1542 300.4212 -161664.4702 -109029.8434 299.5675 -226.6994 -199.5707 762303.2776 -1.6668 -1.8381 PRESSURE: 4729600 -195.135 -23.9944 70.5277 -23.9956 352.742 -0.833252 70.5276 -0.833048 -168.263 GPRESSURE: 4729600 -154.083 54.6163 154.217 -45.8939 351.638 -45.0282 111.774 92.3353 -115.073 PRESSAVG: 4729600 -0.851221 -58.0961 -19.634 -58.096 4.54928 7.3782 -19.634 7.37816 -21.6903 GPRESSAVG: 4729600 1.44366 -56.2183 -19.2735 -58.2517 3.08024 7.25807 -19.3432 6.63068 -22.2665 TIMING: 4729600 CPU: 15031, 0.00317521/step Wall: 15031, 0.00317521/step, 0.238494 hours remaining, 239.761719 MB of memory in use. ENERGY: 4729600 4107.8111 20615.8838 14470.3378 232.6529 -203654.7873 2636.7168 0.0000 0.0000 52153.8227 -109437.5622 299.7287 -161591.3849 -109079.5870 299.9752 -3.5520 27.4939 760902.3936 -5.9974 -5.9142 PRESSURE: 4729800 310.311 190.948 177.765 190.948 -157.578 -70.5714 177.765 -70.5712 809.247 GPRESSURE: 4729800 326.711 163.604 122.573 189.977 -106.393 -119.532 181.221 17.8073 825.781 PRESSAVG: 4729800 -2.48482 -10.2752 15.443 -10.2752 41.6566 14.6573 15.443 14.6573 13.9143 GPRESSAVG: 4729800 -3.26957 -11.2274 14.7123 -10.2243 42.3891 16.2156 16.5009 15.5512 14.1312 TIMING: 4729800 CPU: 15031.6, 0.00318745/step Wall: 15031.6, 0.00318744/step, 0.239235 hours remaining, 239.761719 MB of memory in use. ENERGY: 4729800 4023.5027 20308.4855 14523.7299 258.4379 -203758.8396 2800.1238 0.0000 0.0000 52138.0633 -109706.4964 299.6382 -161844.5598 -109351.9707 299.5098 320.6601 348.6998 759501.1052 17.6954 17.7502 PRESSURE: 4730000 96.9168 -113.981 -73.8285 -113.981 254.988 89.9339 -73.8291 89.9329 -3.60111 GPRESSURE: 4730000 160.071 -104.806 -27.6315 -83.9652 306.868 21.1952 -14.9794 51.3051 -52.1657 PRESSAVG: 4730000 -25.3781 -0.392082 17.1448 -0.39208 24.4209 23.0922 17.1449 23.0922 -16.5299 GPRESSAVG: 4730000 -25.6057 1.22275 17.5775 -0.918379 24.2304 21.9184 15.3443 19.7787 -16.3585 TIMING: 4730000 CPU: 15032.2, 0.00314027/step Wall: 15032.2, 0.00314027/step, 0.23552 hours remaining, 239.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4730000 4031.9567 20504.9050 14497.6150 252.6024 -203581.5400 2522.3846 0.0000 0.0000 52320.6647 -109451.4115 300.6876 -161772.0763 -109090.7202 299.2630 116.1013 138.2576 758900.3501 -5.8290 -5.9113 PRESSURE: 4730200 51.1811 106.587 -185.275 106.587 283.335 -120.674 -185.275 -120.674 462.359 GPRESSURE: 4730200 102.105 69.4144 -176.806 50.1901 281.517 -89.625 -222.315 -177.562 486.749 PRESSAVG: 4730200 -8.31676 -15.4957 -12.2668 -15.4957 12.1002 31.3541 -12.2669 31.354 5.38363 GPRESSAVG: 4730200 -8.17127 -17.131 -11.7179 -15.3656 11.4753 30.8257 -11.2635 32.0101 5.80246 TIMING: 4730200 CPU: 15032.9, 0.00317776/step Wall: 15032.9, 0.00317776/step, 0.238155 hours remaining, 239.761719 MB of memory in use. ENERGY: 4730200 3980.9017 20559.6798 14466.4170 261.4439 -203645.7417 2759.4307 0.0000 0.0000 51972.0362 -109645.8322 298.6840 -161617.8684 -109287.1164 299.0114 265.6248 290.1238 759347.0860 3.0557 3.0355 PRESSURE: 4730400 -11.5663 -128.829 33.8025 -128.829 -539.887 -199.001 33.8032 -199.002 -133.808 GPRESSURE: 4730400 10.6065 -67.0329 75.0144 -114.264 -481.8 -194.004 -30.3415 -57.0436 -120.778 PRESSAVG: 4730400 57.1163 -18.0257 -18.3123 -18.0257 -58.6324 -19.2952 -18.3122 -19.2951 9.36582 GPRESSAVG: 4730400 57.1292 -19.309 -17.7817 -16.8084 -58.2852 -18.4274 -19.9357 -17.0192 8.92532 TIMING: 4730400 CPU: 15033.5, 0.0031986/step Wall: 15033.5, 0.0031986/step, 0.23954 hours remaining, 239.761719 MB of memory in use. ENERGY: 4730400 4077.0541 20574.4222 14497.5543 253.6776 -203471.1037 2473.8671 0.0000 0.0000 51982.2381 -109612.2903 298.7426 -161594.5285 -109252.5497 298.8301 -228.4205 -197.3240 760640.3274 2.6166 2.5898 PRESSURE: 4730600 -350.555 -161.123 -42.0055 -161.123 125.14 -4.41199 -42.0051 -4.41321 58.7121 GPRESSURE: 4730600 -230.352 -112.812 -34.797 -101.413 88.5104 -56.6092 77.7133 -0.877241 69.7601 PRESSAVG: 4730600 -15.5515 -32.2039 24.6996 -32.204 -53.4592 -16.3897 24.6996 -16.3896 3.04469 GPRESSAVG: 4730600 -15.9863 -32.2638 21.8989 -32.3816 -53.5201 -16.2866 28.3133 -18.7 4.01532 TIMING: 4730600 CPU: 15034.1, 0.00318313/step Wall: 15034.1, 0.00318313/step, 0.238204 hours remaining, 239.761719 MB of memory in use. ENERGY: 4730600 4020.0204 20345.3444 14517.2315 252.6894 -203694.4269 2749.2264 0.0000 0.0000 52047.8968 -109762.0180 299.1200 -161809.9148 -109399.4827 298.6698 -55.5674 -24.0270 761090.5765 -21.9887 -21.8304 PRESSURE: 4730800 -61.0342 -91.7712 24.6318 -91.7714 -185.114 -51.6191 24.632 -51.6196 -51.9677 GPRESSURE: 4730800 32.8389 -159.845 86.1377 -31.6724 -195.537 7.03491 -14.8054 -193.622 -67.7947 PRESSAVG: 4730800 45.1879 -40.4273 44.3963 -40.4273 -75.7532 14.9479 44.3962 14.9479 24.9651 GPRESSAVG: 4730800 45.127 -37.7508 45.9973 -41.5614 -75.4048 15.2939 43.0375 15.7303 24.054 TIMING: 4730800 CPU: 15034.8, 0.00318371/step Wall: 15034.8, 0.00318371/step, 0.238071 hours remaining, 239.761719 MB of memory in use. ENERGY: 4730800 3987.6309 20450.5664 14446.7247 232.5233 -203348.2953 2565.5444 0.0000 0.0000 52042.4796 -109622.8260 299.0888 -161665.3056 -109261.6400 298.9450 -99.3720 -76.8310 763243.4996 -1.8667 -2.0746 PRESSURE: 4731000 -122.417 -58.2622 -50.363 -58.2619 105.569 53.1638 -50.3622 53.1629 96.5274 GPRESSURE: 4731000 -121.127 -10.7322 -36.8156 -82.7898 155.39 28.9081 -162.221 94.0395 143.186 PRESSAVG: 4731000 65.9913 -18.5657 0.251221 -18.5657 -8.03107 -30.1123 0.25125 -30.1122 -5.82199 GPRESSAVG: 4731000 66.0921 -17.4493 1.15145 -18.642 -7.38781 -29.5754 2.04669 -30.6387 -6.6199 TIMING: 4731000 CPU: 15035.4, 0.00318103/step Wall: 15035.4, 0.00318103/step, 0.237694 hours remaining, 239.761719 MB of memory in use. ENERGY: 4731000 3988.2850 20340.2132 14479.7553 234.9815 -203305.7235 2618.0861 0.0000 0.0000 51980.8258 -109663.5765 298.7345 -161644.4023 -109305.1642 298.6281 26.5598 59.1496 760846.1960 17.3794 17.3615 PRESSURE: 4731200 235.245 47.7761 -75.7532 47.7759 147.059 -102.596 -75.753 -102.596 -135.05 GPRESSURE: 4731200 174.177 26.0453 -95.3276 93.923 206.306 -43.4992 16.4167 -43.1865 -39.5827 PRESSAVG: 4731200 28.1995 6.41758 -11.566 6.41758 -40.5945 -45.7462 -11.5661 -45.7463 -11.2418 GPRESSAVG: 4731200 27.4858 4.37083 -11.622 6.88416 -41.6152 -47.4665 -12.2906 -44.2271 -9.50876 TIMING: 4731200 CPU: 15036, 0.00316823/step Wall: 15036, 0.00316823/step, 0.236561 hours remaining, 239.761719 MB of memory in use. ENERGY: 4731200 3995.8245 20481.5441 14479.7108 253.1278 -203421.8675 2678.7697 0.0000 0.0000 52010.5503 -109522.3402 298.9053 -161532.8906 -109168.5870 299.1222 82.4181 113.6333 761418.1649 -7.8789 -7.8794 PRESSURE: 4731400 -297.3 24.0326 -110.223 24.0327 -115.308 -91.9064 -110.224 -91.9066 34.3634 GPRESSURE: 4731400 -254.821 142.719 -98.2214 -28.3304 -66.1173 -136.97 -215.128 -82.3453 35.0921 PRESSAVG: 4731400 51.9629 -2.06834 19.6424 -2.06835 -56.0754 -26.9259 19.6424 -26.9258 2.32929 GPRESSAVG: 4731400 52.1635 -1.25573 19.2368 -2.68228 -55.286 -26.8669 18.8561 -29.4212 1.67759 TIMING: 4731400 CPU: 15036.7, 0.00316373/step Wall: 15036.7, 0.00316373/step, 0.23605 hours remaining, 239.761719 MB of memory in use. ENERGY: 4731400 4034.3102 20352.9653 14462.2297 256.4651 -203101.1194 2423.5737 0.0000 0.0000 52181.8204 -109389.7551 299.8896 -161571.5755 -109024.8149 299.1658 -126.0812 -95.2821 760850.1798 -0.5944 -0.4816 PRESSURE: 4731600 -93.4641 93.6612 -87.906 93.6606 94.4743 70.8292 -87.9051 70.8293 -326.681 GPRESSURE: 4731600 -41.5031 92.9059 -96.239 102.514 100.03 -29.5056 -92.6142 31.0914 -283.546 PRESSAVG: 4731600 45.3666 -43.3607 -36.3902 -43.3607 -45.7516 -38.2334 -36.3902 -38.2335 -10.0246 GPRESSAVG: 4731600 46.1529 -44.6415 -36.0439 -43.5625 -47.1208 -37.0952 -37.2727 -37.1623 -9.93009 TIMING: 4731600 CPU: 15037.3, 0.0031466/step Wall: 15037.3, 0.0031466/step, 0.234597 hours remaining, 239.761719 MB of memory in use. ENERGY: 4731600 4014.3291 20541.7797 14484.0012 262.4509 -203563.9173 2564.0763 0.0000 0.0000 52339.4600 -109357.8202 300.7956 -161697.2802 -109002.0581 299.7240 -108.5569 -75.0065 759686.6793 -3.4699 -3.6327 PRESSURE: 4731800 60.7363 66.8528 36.0539 66.8544 -43.8652 33.3542 36.0539 33.3537 47.3668 GPRESSURE: 4731800 14.1425 38.915 169.146 85.9104 41.9088 68.7953 15.0799 -51.4503 94.9824 PRESSAVG: 4731800 9.42669 -11.2198 -23.6208 -11.2198 -34.2542 -80.6714 -23.6209 -80.6714 -38.8144 GPRESSAVG: 4731800 9.18313 -12.019 -22.7611 -9.81173 -33.9037 -80.5212 -21.2392 -79.8695 -38.6721 TIMING: 4731800 CPU: 15037.9, 0.00316347/step Wall: 15037.9, 0.00316347/step, 0.235678 hours remaining, 239.761719 MB of memory in use. ENERGY: 4731800 3951.0507 20550.7498 14482.9878 251.5497 -203459.7628 2703.9857 0.0000 0.0000 52246.7868 -109272.6523 300.2630 -161519.4391 -108916.8141 299.7260 21.4127 50.3445 760734.9629 -21.2140 -21.1309 PRESSURE: 4732000 -322.308 -381.162 270.522 -381.163 -0.565392 -350.944 270.522 -350.943 -301.928 GPRESSURE: 4732000 -225.167 -354.62 210.847 -349.916 -5.59809 -250.747 284.81 -369.506 -323.222 PRESSAVG: 4732000 -6.55737 3.88602 -29.876 3.88602 32.9221 -56.1132 -29.8759 -56.1133 7.42609 GPRESSAVG: 4732000 -6.11842 5.88442 -29.9915 3.89714 32.4101 -57.3438 -32.2415 -55.5466 7.37419 TIMING: 4732000 CPU: 15038.6, 0.00319396/step Wall: 15038.6, 0.00319396/step, 0.237772 hours remaining, 239.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4732000 4066.1388 20440.6574 14482.8931 271.4573 -203278.1829 2595.1815 0.0000 0.0000 51936.6679 -109485.1870 298.4807 -161421.8549 -109126.0175 299.6361 -208.2673 -184.6624 762533.7907 11.2636 11.2220 PRESSURE: 4732200 -385.794 57.4204 -242.235 57.4198 -177.182 16.1245 -242.235 16.1238 113.072 GPRESSURE: 4732200 -357.994 -13.0232 -226.998 4.50802 -110.44 86.303 -166.285 -142.139 103.585 PRESSAVG: 4732200 -14.2513 -39.43 34.6544 -39.43 -7.12376 -27.5936 34.6543 -27.5936 8.77528 GPRESSAVG: 4732200 -15.479 -40.5283 36.8506 -40.1558 -5.56347 -26.7443 34.9158 -28.2055 8.20945 TIMING: 4732200 CPU: 15039.2, 0.0032015/step Wall: 15039.2, 0.00320149/step, 0.238156 hours remaining, 239.761719 MB of memory in use. ENERGY: 4732200 4029.2873 20457.4105 14476.3397 267.3803 -202974.3579 2344.3769 0.0000 0.0000 51909.0494 -109490.5138 298.3220 -161399.5632 -109134.4986 299.2667 -149.9682 -121.6164 763410.7436 -4.1999 -4.2777 LDB: ============= START OF LOAD BALANCING ============== 15051.6 LDB: ============== END OF LOAD BALANCING =============== 15051.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15051.6 LDB: ============= START OF LOAD BALANCING ============== 15051.9 LDB: Largest compute 7049 load 0.036109 is 18.4% of average load 0.196103 LDB: Average compute 0.004400 is 2.2% of average load 0.196103 LDB: TIME 15051.9 LOAD: AVG 0.196103 MAX 0.217283 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 15051.9 LOAD: AVG 0.196103 MAX 0.217283 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 15051.9 LOAD: AVG 0.196103 MAX 0.217283 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 15051.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15052 PRESSURE: 4732400 -111.155 14.6357 -70.7365 14.6356 281.365 -16.7138 -70.7367 -16.7147 346.043 GPRESSURE: 4732400 -75.873 -101.737 -125.313 10.4779 291.247 -11.1348 -114.49 16.9072 376.799 PRESSAVG: 4732400 -46.4784 -46.3447 -90.3735 -46.3447 57.6419 12.0658 -90.3735 12.0659 22.7314 GPRESSAVG: 4732400 -46.0487 -47.1288 -92.9413 -47.1631 57.026 11.8805 -89.2503 11.6833 23.1426 TIMING: 4732400 CPU: 15039.9, 0.00327255/step Wall: 15039.9, 0.00327255/step, 0.243259 hours remaining, 237.843750 MB of memory in use. ENERGY: 4732400 3959.6761 20541.5331 14522.2784 245.1011 -203463.0012 2842.7529 0.0000 0.0000 52015.3603 -109336.2993 298.9330 -161351.6596 -108984.9872 299.0389 172.0843 197.3911 761518.7813 11.2983 11.3733 PRESSURE: 4732600 -0.803068 44.6237 -82.6975 44.6237 -67.0422 109.676 -82.6977 109.676 -56.351 GPRESSURE: 4732600 83.959 80.2153 -100.587 -26.5958 43.8273 135.525 81.957 33.2744 -162.924 PRESSAVG: 4732600 7.47076 -50.1592 -7.16078 -50.1592 20.4018 16.8955 -7.16078 16.8954 -2.45102 GPRESSAVG: 4732600 8.30348 -49.9478 -7.49502 -48.6343 20.5517 17.4939 -6.89902 16.5509 -3.49503 TIMING: 4732600 CPU: 15040.5, 0.00321447/step Wall: 15040.5, 0.00321447/step, 0.238764 hours remaining, 237.843750 MB of memory in use. ENERGY: 4732600 3984.9791 20517.9359 14439.9352 269.0280 -203255.1451 2539.0571 0.0000 0.0000 52164.8146 -109339.3953 299.7919 -161504.2098 -108959.5483 299.6247 -41.3988 -11.7126 760900.7340 8.4739 8.4534 PRESSURE: 4732800 291.953 -23.1803 256.891 -23.1798 -237.38 104.789 256.892 104.789 -64.4748 GPRESSURE: 4732800 193.128 -36.6392 140.632 60.6562 -203.939 75.3813 302.131 107.177 73.7219 PRESSAVG: 4732800 55.4535 29.4904 -20.7619 29.4905 -68.869 18.504 -20.7619 18.504 11.5941 GPRESSAVG: 4732800 54.2708 29.7279 -21.8677 29.3535 -68.7642 17.4702 -20.3412 20.1617 12.7184 TIMING: 4732800 CPU: 15041.1, 0.00318449/step Wall: 15041.1, 0.00318449/step, 0.23636 hours remaining, 237.843750 MB of memory in use. ENERGY: 4732800 4001.6324 20495.5176 14512.8351 248.7844 -202729.5787 2429.9748 0.0000 0.0000 51837.8037 -109203.0308 297.9126 -161040.8345 -108844.8566 299.0527 -3.3007 20.9701 760974.4571 -0.6071 -0.5917 PRESSURE: 4733000 141.654 38.5076 -90.7505 38.5064 -72.1988 -174.59 -90.7498 -174.59 -150.497 GPRESSURE: 4733000 97.3746 -66.7908 -103.513 49.8993 -29.5494 -133.538 -46.2808 -139.444 -80.1375 PRESSAVG: 4733000 -39.8097 -22.6841 -64.0267 -22.6841 -0.165165 -11.0059 -64.0267 -11.0059 2.8663 GPRESSAVG: 4733000 -39.1533 -21.9505 -63.0538 -23.9267 0.265241 -9.19937 -65.2999 -14.5127 2.28503 TIMING: 4733000 CPU: 15041.8, 0.00320405/step Wall: 15041.8, 0.00320405/step, 0.237633 hours remaining, 237.843750 MB of memory in use. ENERGY: 4733000 4031.2130 20341.2608 14421.2983 247.4685 -203701.1331 2985.9523 0.0000 0.0000 52079.1392 -109594.8010 299.2995 -161673.9402 -109222.4306 298.8475 -27.0140 -4.1041 760312.2952 -12.3695 -12.2010 PRESSURE: 4733200 336.143 12.4399 66.3375 12.4397 348.241 31.0848 66.3382 31.0865 72.2921 GPRESSURE: 4733200 426.167 5.60321 101.343 117.173 314.585 -78.2725 134.596 108.367 78.7215 PRESSAVG: 4733200 -5.26296 -52.8653 -8.6933 -52.8654 24.2512 -10.1707 -8.69336 -10.1706 -8.12416 GPRESSAVG: 4733200 -5.66264 -54.8939 -7.52194 -51.1228 23.7956 -12.4883 -7.90239 -6.49546 -7.31975 TIMING: 4733200 CPU: 15042.4, 0.00321563/step Wall: 15042.4, 0.00321563/step, 0.238314 hours remaining, 237.843750 MB of memory in use. ENERGY: 4733200 3926.5092 20557.7683 14506.9701 269.3134 -203500.7151 2699.7929 0.0000 0.0000 52090.2899 -109450.0712 299.3636 -161540.3611 -109095.2460 299.1161 252.2252 273.1577 760078.5204 3.6214 3.6044 PRESSURE: 4733400 -32.8813 -67.4642 70.2201 -67.4638 26.9092 -108.798 70.221 -108.797 -133.686 GPRESSURE: 4733400 -41.6815 -71.3398 54.2368 -87.925 122.174 -62.219 13.9412 -139.676 -155.533 PRESSAVG: 4733400 25.9269 -2.4252 -23.7869 -2.42526 16.3893 -53.45 -23.7868 -53.45 21.1876 GPRESSAVG: 4733400 26.971 -2.01992 -25.0334 -4.50321 16.2222 -53.9959 -24.7189 -54.6297 19.5647 TIMING: 4733400 CPU: 15043.1, 0.00320689/step Wall: 15043.1, 0.00320689/step, 0.237488 hours remaining, 237.843750 MB of memory in use. ENERGY: 4733400 3988.3794 20344.9884 14498.3418 266.9317 -202892.8870 2552.0101 0.0000 0.0000 52073.7946 -109168.4410 299.2688 -161242.2356 -108803.5556 299.3656 -46.5527 -25.0135 761816.1105 21.1679 20.9193 PRESSURE: 4733600 257.832 -110.831 88.5082 -110.83 -110.78 -132.332 88.5083 -132.331 -377.049 GPRESSURE: 4733600 244.961 -165.4 57.3881 -248.411 -87.0525 -88.2404 117.718 -13.8368 -310.534 PRESSAVG: 4733600 53.3216 3.78661 25.1813 3.78658 -44.0973 -43.6691 25.1814 -43.669 -7.76775 GPRESSAVG: 4733600 51.3177 2.74232 28.5212 5.37053 -44.3398 -43.045 24.5237 -43.7117 -5.6368 TIMING: 4733600 CPU: 15043.7, 0.00318703/step Wall: 15043.7, 0.00318703/step, 0.23584 hours remaining, 237.843750 MB of memory in use. ENERGY: 4733600 3951.2566 20548.3316 14469.0776 265.0211 -202942.3099 2442.3798 0.0000 0.0000 51689.7824 -109576.4607 297.0619 -161266.2431 -109227.2667 299.0731 -76.6657 -50.8752 762220.1124 0.4855 0.4471 PRESSURE: 4733800 133.657 -339.972 -4.94701 -339.972 271.788 -77.2973 -4.94687 -77.2974 -259.013 GPRESSURE: 4733800 184.667 -367.259 -41.8255 -162.6 199.534 -54.1094 45.3292 -54.9694 -179.818 PRESSAVG: 4733800 15.6244 -1.20046 -1.47358 -1.20053 13.8438 -57.2895 -1.4736 -57.2894 -8.09378 GPRESSAVG: 4733800 17.0319 -0.0627411 -2.51254 0.347698 12.8277 -56.6611 -0.289805 -56.4744 -8.58137 TIMING: 4733800 CPU: 15044.3, 0.00317025/step Wall: 15044.3, 0.00317025/step, 0.234423 hours remaining, 237.843750 MB of memory in use. ENERGY: 4733800 3967.6888 20462.8720 14444.6879 248.5059 -203464.9544 2640.0950 0.0000 0.0000 52291.2902 -109409.8146 300.5188 -161701.1048 -109052.3060 299.4492 48.8109 68.1279 760518.1414 7.1248 7.0928 PRESSURE: 4734000 -341.814 -118.384 338.373 -118.384 -109.515 203.847 338.372 203.847 -220.921 GPRESSURE: 4734000 -282.725 -110.221 281.312 -74.7174 -72.4449 90.8533 367.593 124.64 -215.175 PRESSAVG: 4734000 9.79727 -31.6626 -7.92455 -31.6626 5.39645 -43.1315 -7.92463 -43.1316 21.9915 GPRESSAVG: 4734000 9.82023 -30.5695 -7.92083 -32.0341 6.7809 -44.2412 -9.00828 -44.9335 20.4875 TIMING: 4734000 CPU: 15045, 0.00316725/step Wall: 15045, 0.00316725/step, 0.234025 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4734000 3934.5876 20603.0406 14449.1126 263.0743 -203182.8386 2409.4510 0.0000 0.0000 52067.8576 -109455.7148 299.2347 -161523.5724 -109101.2801 299.6721 -224.0833 -190.1152 760657.8745 12.3951 12.3629 PRESSURE: 4734200 44.59 9.2493 186.272 9.24934 -134.765 -115.335 186.272 -115.335 -368.281 GPRESSURE: 4734200 74.5148 36.3681 144.944 -51.48 -59.4316 -96.2206 113.658 -89.0597 -385.347 PRESSAVG: 4734200 -26.202 -54.0293 9.87907 -54.0293 30.7413 -20.1333 9.87904 -20.1334 -10.5792 GPRESSAVG: 4734200 -26.5414 -55.4854 9.18002 -53.4649 30.3055 -20.1736 11.4715 -17.1348 -10.3191 TIMING: 4734200 CPU: 15045.6, 0.00316676/step Wall: 15045.6, 0.00316676/step, 0.233812 hours remaining, 237.843750 MB of memory in use. ENERGY: 4734200 3986.6449 20479.0656 14468.3498 252.8062 -203603.0766 2750.4738 0.0000 0.0000 52290.0539 -109375.6823 300.5117 -161665.7362 -109011.1435 299.4636 -152.8186 -123.4211 761419.3423 -2.0133 -2.1850 PRESSURE: 4734400 17.3235 66.6473 -80.3152 66.6468 189.165 -173.469 -80.3149 -173.47 -45.8555 GPRESSURE: 4734400 92.2836 -21.9252 -49.4117 57.797 220.042 -163.588 -29.7978 -234.108 -74.8337 PRESSAVG: 4734400 -21.535 -25.978 28.6374 -25.978 17.3134 28.5547 28.6374 28.5547 -16.9387 GPRESSAVG: 4734400 -20.4458 -24.0999 29.1215 -29.319 17.8489 29.9916 28.9553 25.5325 -18.8949 TIMING: 4734400 CPU: 15046.3, 0.00319834/step Wall: 15046.3, 0.00319834/step, 0.235966 hours remaining, 237.843750 MB of memory in use. ENERGY: 4734400 3929.5864 20531.6267 14492.6555 252.2319 -203054.8150 2480.3767 0.0000 0.0000 51979.1802 -109389.1575 298.7251 -161368.3378 -109035.0412 299.8310 53.5445 79.1639 758627.8856 -7.0534 -7.1640 PRESSURE: 4734600 -75.6184 -233.384 149.447 -233.384 -83.8887 20.9787 149.446 20.9796 -266.164 GPRESSURE: 4734600 -28.594 -208.448 154.507 -254.525 -3.11978 -64.0737 30.8377 14.1129 -307.801 PRESSAVG: 4734600 -30.0451 -52.6784 17.8128 -52.6785 19 -38.3118 17.8128 -38.3118 20.8907 GPRESSAVG: 4734600 -31.5239 -53.3812 16.7622 -51.6648 18.3134 -39.5961 16.5227 -38.8471 23.1721 TIMING: 4734600 CPU: 15046.9, 0.0032032/step Wall: 15046.9, 0.0032032/step, 0.236147 hours remaining, 237.843750 MB of memory in use. ENERGY: 4734600 3930.5457 20601.7311 14541.8195 261.8497 -203288.9276 2366.2036 0.0000 0.0000 52164.0934 -109422.6846 299.7878 -161586.7780 -109060.8363 299.9603 -141.8905 -113.1716 761891.3992 3.2819 3.3205 PRESSURE: 4734800 -17.9694 11.1319 -50.5211 11.1329 -12.6271 -59.7031 -50.521 -59.704 -146.12 GPRESSURE: 4734800 -30.3299 78.4847 -122.36 -0.335293 32.6326 -38.8279 76.1055 -83.4173 -100.067 PRESSAVG: 4734800 -30.631 -43.0015 43.0175 -43.0014 29.0062 -38.535 43.0175 -38.535 -12.5504 GPRESSAVG: 4734800 -30.6261 -41.6796 43.5614 -42.3802 29.3717 -37.5007 43.513 -38.6612 -13.0802 TIMING: 4734800 CPU: 15047.5, 0.00316704/step Wall: 15047.5, 0.00316704/step, 0.233306 hours remaining, 237.843750 MB of memory in use. ENERGY: 4734800 3938.4586 20429.7022 14510.7585 229.0655 -203248.1068 2416.2831 0.0000 0.0000 52305.6816 -109418.1574 300.6015 -161723.8390 -109048.3788 299.2658 -58.9054 -32.5880 761185.0741 -4.7251 -4.7782 PRESSURE: 4735000 36.6195 14.9845 -154.08 14.9845 319.797 -143.212 -154.08 -143.212 -246.486 GPRESSURE: 4735000 81.0041 -61.8879 -156.268 9.1921 315.426 -157.038 -93.612 -41.8303 -208.249 PRESSAVG: 4735000 -32.4386 -64.4416 54.9103 -64.4416 40.3663 -17.6009 54.9104 -17.6008 7.26585 GPRESSAVG: 4735000 -33.1008 -66.5792 54.7285 -64.3901 40.2711 -18.3532 53.9288 -17.7446 7.86037 TIMING: 4735000 CPU: 15048.2, 0.00316183/step Wall: 15048.2, 0.00316183/step, 0.232745 hours remaining, 237.843750 MB of memory in use. ENERGY: 4735000 3928.5891 20436.3778 14509.7803 243.5045 -203133.0634 2516.7485 0.0000 0.0000 52081.4900 -109416.5733 299.3130 -161498.0633 -109051.9828 299.3709 36.6434 62.7272 761893.2483 5.0645 5.0102 PRESSURE: 4735200 -20.4485 35.4273 182.963 35.4279 415.365 7.73561 182.963 7.73549 386.824 GPRESSURE: 4735200 86.8748 -28.8457 161.798 -49.5004 398.188 -21.0564 209.855 99.5341 393.37 PRESSAVG: 4735200 -0.293256 -82.9216 35.3203 -82.9216 -2.05829 -9.95858 35.3202 -9.95868 2.17881 GPRESSAVG: 4735200 1.53473 -83.6012 36.6466 -82.1012 -3.68231 -9.34444 34.8675 -9.79987 1.73431 TIMING: 4735200 CPU: 15048.8, 0.00316173/step Wall: 15048.8, 0.00316173/step, 0.232563 hours remaining, 237.843750 MB of memory in use. ENERGY: 4735200 3914.3064 20501.1319 14534.4697 238.3874 -203479.5696 2812.0541 0.0000 0.0000 52072.6924 -109406.5276 299.2625 -161479.2200 -109043.2125 299.2808 260.5802 292.8111 761625.0323 -0.0576 -0.1378 PRESSURE: 4735400 -216.324 -120.427 124.612 -120.427 -61.1429 142.312 124.612 142.312 -139.253 GPRESSURE: 4735400 -238.272 -166.893 117.694 -95.2378 -5.41849 151.738 162.721 135.551 -66.1844 PRESSAVG: 4735400 3.94065 -61.2201 3.02948 -61.2201 5.2852 26.1901 3.02948 26.1901 -16.6661 GPRESSAVG: 4735400 2.10537 -60.5438 1.66951 -62.9248 5.91729 25.895 3.3171 26.4097 -15.8279 TIMING: 4735400 CPU: 15049.4, 0.00317774/step Wall: 15049.4, 0.00317774/step, 0.233564 hours remaining, 237.843750 MB of memory in use. ENERGY: 4735400 3979.6910 20610.7073 14500.5588 236.7627 -203465.6868 2402.7397 0.0000 0.0000 52110.9055 -109624.3218 299.4821 -161735.2273 -109262.9366 299.2384 -138.9064 -103.2917 761787.6697 -2.4801 -2.6017 PRESSURE: 4735600 -74.0218 -0.993585 -330.536 -0.993189 -108.479 -193.642 -330.535 -193.643 176.92 GPRESSURE: 4735600 -69.155 16.6174 -222.718 -95.4706 -73.2559 -154.588 -237.089 -104.544 205.08 PRESSAVG: 4735600 -25.3367 -62.4055 -19.1023 -62.4055 41.1157 -21.7662 -19.1023 -21.7662 -21.7241 GPRESSAVG: 4735600 -25.3205 -61.887 -20.4019 -62.9323 42.1144 -21.2384 -19.8686 -21.8052 -22.8168 TIMING: 4735600 CPU: 15050.1, 0.00318409/step Wall: 15050.1, 0.00318409/step, 0.233853 hours remaining, 237.843750 MB of memory in use. ENERGY: 4735600 3935.7856 20383.9572 14435.0442 257.8203 -203466.6603 2451.3153 0.0000 0.0000 52141.1221 -109861.6155 299.6557 -162002.7377 -109496.5844 298.8486 -1.8603 20.8898 761074.2122 -1.9817 -2.0076 PRESSURE: 4735800 -110.677 107.561 -170.617 107.561 150.86 -31.8046 -170.618 -31.8046 283.863 GPRESSURE: 4735800 -89.3033 -57.9441 -106.038 117.297 164.526 -35.0722 -209.183 -110.459 325.316 PRESSAVG: 4735800 20.6965 -32.0253 -23.9996 -32.0254 -11.9119 -18.9762 -23.9996 -18.9762 4.55464 GPRESSAVG: 4735800 20.9189 -33.0382 -23.6359 -30.8239 -12.2025 -19.5149 -22.3808 -18.7908 4.24361 TIMING: 4735800 CPU: 15050.7, 0.0031672/step Wall: 15050.7, 0.0031672/step, 0.232437 hours remaining, 237.843750 MB of memory in use. ENERGY: 4735800 3869.5957 20549.5151 14549.5124 257.3835 -203829.8181 2769.9895 0.0000 0.0000 52085.7758 -109748.0462 299.3377 -161833.8220 -109387.9270 298.7581 108.0152 133.5129 760796.7460 4.4464 4.3200 PRESSURE: 4736000 -52.6028 100.518 13.3039 100.518 128.307 70.6436 13.3042 70.6447 -181.182 GPRESSURE: 4736000 -37.66 148.656 70.7717 184.779 138.601 -22.718 -112.996 236.49 -108.015 PRESSAVG: 4736000 35.7603 -30.7059 2.91064 -30.7059 -15.0018 31.9364 2.91066 31.9363 -14.1319 GPRESSAVG: 4736000 36.3744 -28.5749 3.05858 -31.2261 -16.0109 30.5491 2.35474 31.214 -13.1345 TIMING: 4736000 CPU: 15051.3, 0.00315399/step Wall: 15051.3, 0.00315399/step, 0.231293 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4736000 3915.9146 20494.6411 14510.1894 253.1155 -203607.7449 2752.7396 0.0000 0.0000 51816.0191 -109865.1255 297.7874 -161681.1446 -109499.4594 298.7595 -35.1592 -2.3579 761846.5441 2.2089 2.4097 PRESSURE: 4736200 324.9 -39.2187 27.6476 -39.2189 -358.349 -180.665 27.6473 -180.664 -46.5881 GPRESSURE: 4736200 303.595 25.0412 -37.3793 98.7618 -261.566 -156.505 67.608 -60.3279 -42.1501 PRESSAVG: 4736200 68.7436 -19.0641 -27.4905 -19.0642 -75.6796 5.57864 -27.4906 5.57864 4.41165 GPRESSAVG: 4736200 67.2139 -18.8773 -28.537 -20.6073 -74.1115 7.65095 -27.9739 7.47725 4.29624 TIMING: 4736200 CPU: 15052, 0.00316359/step Wall: 15052, 0.00316359/step, 0.23182 hours remaining, 237.843750 MB of memory in use. ENERGY: 4736200 3921.1556 20481.6651 14534.3483 233.5011 -203553.9139 2578.7851 0.0000 0.0000 52138.7537 -109665.7051 299.6421 -161804.4587 -109309.4413 298.6816 -26.6791 -0.0404 760245.0162 -0.8414 -0.8671 LDB: ============= START OF LOAD BALANCING ============== 15064.4 LDB: ============== END OF LOAD BALANCING =============== 15064.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15064.4 LDB: ============= START OF LOAD BALANCING ============== 15064.7 LDB: Largest compute 7075 load 0.035684 is 18.2% of average load 0.196014 LDB: Average compute 0.004407 is 2.2% of average load 0.196014 LDB: TIME 15064.7 LOAD: AVG 0.196014 MAX 0.216889 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 15064.7 LOAD: AVG 0.196014 MAX 0.216889 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 15064.7 LOAD: AVG 0.196014 MAX 0.216889 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 15064.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15064.7 PRESSURE: 4736400 58.6857 68.1374 154.839 68.1376 287.371 40.1518 154.839 40.1528 -96.5906 GPRESSURE: 4736400 152.157 114.108 127.698 -1.04392 236.021 153.171 206.9 -11.6775 -68.5787 PRESSAVG: 4736400 52.2874 7.84207 -28.0068 7.84203 -11.0628 -54.3425 -28.0068 -54.3424 -2.58752 GPRESSAVG: 4736400 54.3987 8.64001 -29.9928 6.40354 -13.5212 -54.8749 -26.7329 -55.5724 -2.53889 TIMING: 4736400 CPU: 15052.6, 0.00321768/step Wall: 15052.6, 0.00321768/step, 0.235606 hours remaining, 238.613281 MB of memory in use. ENERGY: 4736400 4066.8143 20494.2496 14464.4064 251.4537 -203739.3932 2701.6130 0.0000 0.0000 52102.5882 -109658.2680 299.4343 -161760.8562 -109305.1833 299.7263 83.1552 106.5331 760427.4036 12.8790 12.7795 PRESSURE: 4736600 138.598 -125.24 -79.5436 -125.24 -103.899 -26.2375 -79.5429 -26.2379 221.411 GPRESSURE: 4736600 156.469 -127.482 -129.229 -196.462 -23.4259 -100.759 -71.8307 59.9929 201.708 PRESSAVG: 4736600 32.494 -34.8848 43.8038 -34.8847 -43.6179 -21.9556 43.8039 -21.9556 2.4228 GPRESSAVG: 4736600 31.0099 -36.612 47.1442 -31.8033 -41.6282 -21.0767 45.2002 -20.8611 0.758934 TIMING: 4736600 CPU: 15053.2, 0.00315908/step Wall: 15053.2, 0.00315908/step, 0.231139 hours remaining, 238.679688 MB of memory in use. ENERGY: 4736600 3850.4957 20630.0506 14521.7748 230.7247 -203753.8718 2885.7208 0.0000 0.0000 51908.1941 -109726.9112 298.3171 -161635.1052 -109352.8085 299.1292 85.3700 111.5834 760106.4222 -2.9004 -3.2865 PRESSURE: 4736800 -357.196 31.3232 -414.394 31.3237 -42.2806 126.276 -414.394 126.276 -282.273 GPRESSURE: 4736800 -296.779 -51.8952 -422.334 -14.3698 -48.3053 78.8216 -303.471 59.1929 -256.676 PRESSAVG: 4736800 77.8 11.1193 -51.0769 11.1194 -26.9778 11.0742 -51.0769 11.0742 -6.01409 GPRESSAVG: 4736800 78.5104 10.82 -51.7685 11.1359 -28.9421 10.2362 -52.0641 10.7206 -4.8191 TIMING: 4736800 CPU: 15053.9, 0.00316701/step Wall: 15053.9, 0.00316701/step, 0.231544 hours remaining, 238.679688 MB of memory in use. ENERGY: 4736800 3980.3514 20370.3635 14531.4470 240.5940 -203687.6796 2542.8873 0.0000 0.0000 52039.1336 -109982.9029 299.0696 -162022.0365 -109614.3715 298.5753 -227.2497 -200.5865 761076.1163 14.9360 14.9164 PRESSURE: 4737000 43.2676 -107.371 -90.8805 -107.372 -141.666 66.0346 -90.8804 66.0351 179.368 GPRESSURE: 4737000 49.4843 -38.2984 -85.8246 -49.0585 -119.95 72.7378 -77.0272 164.234 205.385 PRESSAVG: 4737000 -21.3113 -17.6318 -36.7772 -17.6317 -44.3865 12.1745 -36.7772 12.1745 -24.9863 GPRESSAVG: 4737000 -21.5772 -18.2074 -35.4351 -17.822 -43.3579 12.3778 -37.8986 12.0373 -25.6355 TIMING: 4737000 CPU: 15054.5, 0.00317371/step Wall: 15054.5, 0.00317371/step, 0.231857 hours remaining, 238.679688 MB of memory in use. ENERGY: 4737000 3933.5278 20562.2973 14555.4269 261.3654 -203861.9699 2628.9646 0.0000 0.0000 51872.8938 -110047.4942 298.1142 -161920.3880 -109676.6283 298.0346 26.9900 44.9731 760774.0420 -30.2280 -30.1902 PRESSURE: 4737200 -8.3534 97.026 -102.832 97.0259 -372.846 -8.65998 -102.831 -8.66044 -251.377 GPRESSURE: 4737200 -105.394 245.089 -26.8309 27.5706 -238.719 -53.8354 60.9163 -59.9137 -221.206 PRESSAVG: 4737200 43.9126 -7.50747 -26.4808 -7.50747 -45.7917 30.7568 -26.4807 30.7569 11.9618 GPRESSAVG: 4737200 42.2505 -5.95958 -26.0166 -7.54992 -44.7183 31.506 -27.0448 30.898 12.4131 TIMING: 4737200 CPU: 15055.1, 0.00317338/step Wall: 15055.1, 0.00317338/step, 0.231656 hours remaining, 238.679688 MB of memory in use. ENERGY: 4737200 4056.5423 20606.1673 14470.0943 240.2409 -203474.1256 2247.9591 0.0000 0.0000 51997.6032 -109855.5187 298.8309 -161853.1218 -109485.6583 298.3706 -210.8586 -188.4395 759649.1196 3.3609 3.3151 PRESSURE: 4737400 -23.6638 -119.558 -452.397 -119.558 240.357 -116.061 -452.397 -116.061 -162.294 GPRESSURE: 4737400 79.7621 -244.648 -495.094 76.4257 197.322 -150.575 -439.501 -155.05 -141.329 PRESSAVG: 4737400 26.9372 -55.8492 1.31479 -55.8493 -30.6205 36.8048 1.31477 36.8048 -13.6459 GPRESSAVG: 4737400 28.3982 -57.3175 0.8558 -55.6186 -31.2702 36.76 1.66438 35.7625 -14.3388 TIMING: 4737400 CPU: 15055.8, 0.00316286/step Wall: 15055.8, 0.00316286/step, 0.230713 hours remaining, 238.679688 MB of memory in use. ENERGY: 4737400 3945.2571 20400.6172 14468.8711 241.6141 -203451.7021 2575.7731 0.0000 0.0000 52038.9105 -109780.6590 299.0683 -161819.5696 -109413.7711 298.7916 18.1331 45.2517 759705.2753 -5.7764 -5.7369 PRESSURE: 4737600 -58.318 61.4152 33.3106 61.4152 47.6169 -82.3068 33.3114 -82.3075 -441.814 GPRESSURE: 4737600 -44.1379 47.1626 142.681 160.009 101.971 -143.968 98.1878 -127.676 -432.796 PRESSAVG: 4737600 -0.971724 -48.8741 -1.05761 -48.8741 55.7549 -8.16074 -1.0577 -8.16078 18.2435 GPRESSAVG: 4737600 -1.51226 -47.1546 -0.0960221 -49.4482 55.7896 -8.71656 -1.27276 -7.50151 19.1149 TIMING: 4737600 CPU: 15056.4, 0.00316094/step Wall: 15056.4, 0.00316094/step, 0.230398 hours remaining, 238.679688 MB of memory in use. ENERGY: 4737600 3988.8859 20591.6492 14436.5505 224.0886 -203555.2063 2339.2772 0.0000 0.0000 52104.0642 -109870.6905 299.4428 -161974.7548 -109506.8213 298.8873 -150.8383 -124.9875 757038.2963 24.3422 24.4641 PRESSURE: 4737800 3.70329 -276.954 209.627 -276.954 -49.9421 73.7207 209.626 73.7201 339.448 GPRESSURE: 4737800 125.243 -89.0621 250.206 -306.961 -33.243 59.6356 76.6657 278.588 281.111 PRESSAVG: 4737800 13.0735 -23.0571 34.4491 -23.0571 -20.435 40.0634 34.449 40.0634 -17.8233 GPRESSAVG: 4737800 14.2554 -22.4664 32.6026 -23.7381 -20.7384 40.9516 35.0864 40.4407 -18.8157 TIMING: 4737800 CPU: 15057, 0.00319001/step Wall: 15057, 0.00319001/step, 0.232339 hours remaining, 238.679688 MB of memory in use. ENERGY: 4737800 3955.1880 20521.9874 14527.6101 257.8618 -203667.2475 2491.1387 0.0000 0.0000 51990.8872 -109922.5742 298.7923 -161913.4614 -109554.3718 298.8298 97.7365 124.3705 757375.0284 -8.3949 -8.4329 PRESSURE: 4738000 -94.4523 119.64 -40.631 119.639 29.5195 -117.024 -40.6308 -117.024 123.716 GPRESSURE: 4738000 -111.924 32.3327 10.3611 0.81907 106.741 -223.74 14.0141 -54.1138 126.307 PRESSAVG: 4738000 13.2416 8.94149 49.6423 8.94151 -3.00972 30.5066 49.6423 30.5067 -4.80481 GPRESSAVG: 4738000 10.663 9.36934 50.8118 8.29412 -2.82562 30.8813 47.5159 30.0534 -2.37915 TIMING: 4738000 CPU: 15057.7, 0.00318405/step Wall: 15057.7, 0.00318405/step, 0.231728 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4738000 4006.9903 20460.9682 14478.1529 252.3403 -203319.7982 2378.5181 0.0000 0.0000 51956.2662 -109786.5622 298.5934 -161742.8284 -109426.1533 298.8025 19.5945 40.3746 758977.9179 1.8090 1.8194 PRESSURE: 4738200 236.111 24.6689 -95.9526 24.6696 -285.961 37.5761 -95.9529 37.576 187.031 GPRESSURE: 4738200 276.904 35.7955 -113.927 94.8784 -213.405 -23.4557 -95.2602 -72.1205 160.062 PRESSAVG: 4738200 -5.94924 -3.40577 -42.9359 -3.40581 -1.72305 -48.4127 -42.9359 -48.4126 -9.27733 GPRESSAVG: 4738200 -4.82329 -3.42281 -43.6655 -3.68663 -1.04802 -48.2614 -41.5572 -48.1796 -11.5735 TIMING: 4738200 CPU: 15058.3, 0.00317072/step Wall: 15058.3, 0.00317072/step, 0.230582 hours remaining, 238.679688 MB of memory in use. ENERGY: 4738200 3929.2774 20369.4565 14535.1828 250.6089 -203257.1552 2420.0383 0.0000 0.0000 51877.5615 -109875.0298 298.1411 -161752.5913 -109511.3842 298.5259 45.7272 74.5205 760254.6631 -5.6499 -5.8149 PRESSURE: 4738400 -195.858 -63.9466 -136.861 -63.946 22.7555 97.6346 -136.861 97.635 -106.251 GPRESSURE: 4738400 -204.061 -104.75 -148.911 -52.0869 105.302 8.74452 -145.323 27.7969 -103.158 PRESSAVG: 4738400 49.9586 -27.1139 -52.5043 -27.1139 -57.842 -13.2674 -52.5043 -13.2675 31.8821 GPRESSAVG: 4738400 49.0959 -27.9037 -53.5648 -27.2533 -58.3491 -13.6517 -51.7107 -13.2228 33.8443 TIMING: 4738400 CPU: 15058.9, 0.00318235/step Wall: 15058.9, 0.00318235/step, 0.23125 hours remaining, 238.679688 MB of memory in use. ENERGY: 4738400 3902.5681 20634.6731 14489.9505 259.9841 -203247.1952 2228.7642 0.0000 0.0000 51773.8843 -109957.3710 297.5452 -161731.2553 -109607.6929 298.3830 -93.1179 -67.3054 760851.2859 7.9996 8.1970 PRESSURE: 4738600 -36.6209 -136.774 -31.4811 -136.773 -47.2575 -16.0789 -31.4805 -16.0784 44.0685 GPRESSURE: 4738600 36.0786 -148.259 13.1839 -171.379 60.2003 11.89 28.1282 154.148 -39.4603 PRESSAVG: 4738600 -7.22129 -11.0881 -39.8869 -11.088 -25.2104 45.901 -39.887 45.901 0.526722 GPRESSAVG: 4738600 -5.72667 -11.33 -38.4839 -10.5921 -24.9859 45.8202 -39.7727 46.04 -1.53513 TIMING: 4738600 CPU: 15059.6, 0.00318858/step Wall: 15059.6, 0.00318858/step, 0.231526 hours remaining, 238.679688 MB of memory in use. ENERGY: 4738600 3868.1173 20419.7867 14426.4880 255.4226 -203478.1250 2561.4440 0.0000 0.0000 52031.9122 -109914.9542 299.0281 -161946.8664 -109551.8487 298.2510 -13.2700 18.9395 762168.9014 -10.6350 -10.7492 PRESSURE: 4738800 16.6842 88.1578 21.8179 88.1579 248.133 210.133 21.8184 210.132 -147.693 GPRESSURE: 4738800 120.814 82.0665 16.6189 87.3736 188.855 216.081 148.669 213.29 -85.6139 PRESSAVG: 4738800 -37.5877 -37.7975 59.3349 -37.7975 5.56116 28.9996 59.3348 28.9996 1.10011 GPRESSAVG: 4738800 -37.4012 -37.5478 58.5373 -37.9581 4.63644 28.8728 58.5647 28.4327 2.30585 TIMING: 4738800 CPU: 15060.2, 0.00319185/step Wall: 15060.2, 0.00319185/step, 0.231587 hours remaining, 238.679688 MB of memory in use. ENERGY: 4738800 3987.9380 20464.5599 14479.2091 234.8043 -203308.3483 2473.7761 0.0000 0.0000 51850.7721 -109817.2887 297.9871 -161668.0608 -109455.8754 298.4111 39.0412 74.6850 760715.9517 -10.3088 -10.1530 PRESSURE: 4739000 -83.4696 42.0073 248.55 42.0066 -24.1922 -68.1613 248.55 -68.1608 163.293 GPRESSURE: 4739000 -109.581 83.1853 164.083 20.2484 94.3802 1.69897 222.405 38.4497 165.618 PRESSAVG: 4739000 -31.0271 -14.179 7.49438 -14.179 32.4627 19.1919 7.4944 19.192 -7.40152 GPRESSAVG: 4739000 -31.5829 -17.1582 5.96606 -12.7605 34.3295 19.8449 10.9007 17.937 -9.12218 TIMING: 4739000 CPU: 15060.9, 0.00316912/step Wall: 15060.9, 0.00316912/step, 0.229761 hours remaining, 238.679688 MB of memory in use. ENERGY: 4739000 3953.3239 20353.5775 14500.0180 245.7653 -203542.9406 2636.6407 0.0000 0.0000 51958.3152 -109895.2999 298.6052 -161853.6151 -109534.5607 298.6605 18.5437 50.1391 760023.2974 -1.9886 -2.1252 PRESSURE: 4739200 -322.711 120.742 -96.1921 120.743 -30.2305 255.662 -96.192 255.662 -272.722 GPRESSURE: 4739200 -315.833 53.6694 -61.1829 114.918 -31.7931 127.2 -162.188 232.181 -178.591 PRESSAVG: 4739200 18.4073 -22.6581 -13.2375 -22.6581 4.00909 32.1519 -13.2375 32.152 7.54563 GPRESSAVG: 4739200 17.6104 -18.5207 -10.5267 -25.3713 3.37605 31.8781 -17.8496 32.7473 9.17578 TIMING: 4739200 CPU: 15061.5, 0.00314712/step Wall: 15061.5, 0.00314712/step, 0.227991 hours remaining, 238.679688 MB of memory in use. ENERGY: 4739200 4018.9520 20396.7186 14526.8055 242.8496 -203740.3690 2517.9626 0.0000 0.0000 51766.7292 -110270.3516 297.5041 -162037.0808 -109912.7875 297.8848 -208.5548 -175.4060 760340.6714 9.9873 10.0541 PRESSURE: 4739400 31.2484 151.918 -275.631 151.918 105.881 109.687 -275.631 109.686 -95.0825 GPRESSURE: 4739400 132.102 155.143 -197.495 184.209 126.41 46.6993 -199.117 143.44 -124.039 PRESSAVG: 4739400 20.8281 11.5409 -30.5148 11.5409 3.29833 47.0425 -30.5148 47.0426 2.60728 GPRESSAVG: 4739400 21.3678 10.2516 -31.8262 12.3623 2.15934 47.2207 -29.7858 48.0425 2.82534 TIMING: 4739400 CPU: 15062.1, 0.00317767/step Wall: 15062.1, 0.00317767/step, 0.230028 hours remaining, 238.679688 MB of memory in use. ENERGY: 4739400 3988.9898 20524.8674 14500.2296 249.9802 -203937.0382 2637.8183 0.0000 0.0000 51854.6423 -110180.5106 298.0093 -162035.1529 -109823.0812 298.0989 14.0157 44.8241 758062.1349 8.9112 8.7842 PRESSURE: 4739600 -134.924 -97.6197 -48.9405 -97.6202 -105.63 258.991 -48.9408 258.99 18.8992 GPRESSURE: 4739600 -173.319 -120.369 0.756758 -135.883 -45.2592 162.882 36.348 305.935 57.878 PRESSAVG: 4739600 -37.4806 4.79786 -25.4492 4.79786 11.5563 54.6637 -25.4492 54.6637 0.118029 GPRESSAVG: 4739600 -35.7464 4.66706 -25.7766 4.93819 10.9741 54.2349 -23.8065 51.7752 -1.30832 TIMING: 4739600 CPU: 15062.8, 0.0031666/step Wall: 15062.8, 0.0031666/step, 0.229051 hours remaining, 238.679688 MB of memory in use. ENERGY: 4739600 3945.7343 20434.9571 14505.8022 247.7738 -203006.6988 2045.0206 0.0000 0.0000 51806.6360 -110020.7747 297.7334 -161827.4107 -109657.3075 298.1129 -73.8851 -53.5668 760466.1967 -8.6021 -8.6935 PRESSURE: 4739800 -178.441 -156.637 -91.5127 -156.638 76.9562 -146.708 -91.5127 -146.708 441.743 GPRESSURE: 4739800 -73.3008 -202.294 -143.78 -48.1678 83.161 -211.499 -38.5269 -115.511 406.875 PRESSAVG: 4739800 -32.5208 4.82862 26.9208 4.82865 51.6821 29.7456 26.9207 29.7455 29.2853 GPRESSAVG: 4739800 -33.8576 4.12937 26.4498 4.6592 53.147 30.498 26.802 29.8951 29.4722 TIMING: 4739800 CPU: 15063.4, 0.00316697/step Wall: 15063.4, 0.00316697/step, 0.228902 hours remaining, 238.679688 MB of memory in use. ENERGY: 4739800 3937.0075 20587.9461 14524.6325 259.5719 -203712.3736 2496.0921 0.0000 0.0000 51909.4867 -109997.6368 298.3245 -161907.1234 -109644.6573 298.4083 113.4194 138.9117 759118.5048 16.1489 16.2539 PRESSURE: 4740000 152.168 17.5393 94.8227 17.5402 315.397 143.843 94.823 143.843 427.589 GPRESSURE: 4740000 259.697 -65.3211 26.2037 6.83488 299.777 251.866 17.0922 117.396 422.681 PRESSAVG: 4740000 -55.8371 13.916 40.7626 13.916 47.9092 15.0941 40.7627 15.0942 5.55953 GPRESSAVG: 4740000 -55.2366 14.3724 41.4931 14.9986 47.8823 13.9603 40.8018 16.6456 5.29008 TIMING: 4740000 CPU: 15064, 0.0031768/step Wall: 15064, 0.0031768/step, 0.229436 hours remaining, 238.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4740000 3987.6336 20580.2203 14486.2611 247.5252 -203785.6824 2671.8963 0.0000 0.0000 51815.9996 -109996.1462 297.7873 -161812.1458 -109646.6351 298.5754 298.3846 327.3848 759588.5592 -0.7895 -0.6881 PRESSURE: 4740200 -117.341 -66.1206 -212.642 -66.1209 384.784 -95.3272 -212.642 -95.3272 297.603 GPRESSURE: 4740200 -47.7869 -24.7502 -186.435 -89.7258 376.916 -120.362 -113.277 92.3127 298.212 PRESSAVG: 4740200 -28.5684 9.37489 -29.674 9.37482 48.881 91.4892 -29.674 91.4893 -15.3874 GPRESSAVG: 4740200 -29.2426 10.4839 -30.1901 8.38911 48.9044 90.378 -32.5963 92.0938 -14.4396 TIMING: 4740200 CPU: 15064.7, 0.00316392/step Wall: 15064.7, 0.00316392/step, 0.228329 hours remaining, 238.679688 MB of memory in use. ENERGY: 4740200 3966.6586 20607.4062 14504.4025 241.0565 -203352.4054 2553.2568 0.0000 0.0000 51760.0911 -109719.5337 297.4660 -161479.6248 -109361.5238 298.5512 188.3486 209.1138 758969.7561 1.6417 1.7407 LDB: ============= START OF LOAD BALANCING ============== 15077.1 LDB: ============== END OF LOAD BALANCING =============== 15077.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15077.1 LDB: ============= START OF LOAD BALANCING ============== 15077.4 LDB: Largest compute 7025 load 0.034671 is 17.7% of average load 0.195953 LDB: Average compute 0.004395 is 2.2% of average load 0.195953 LDB: TIME 15077.4 LOAD: AVG 0.195953 MAX 0.226871 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 15077.4 LOAD: AVG 0.195953 MAX 0.226871 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 15077.4 LOAD: AVG 0.195953 MAX 0.226871 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: ============== END OF LOAD BALANCING =============== 15077.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15077.4 PRESSURE: 4740400 19.6475 -149.575 -21.5778 -149.576 43.8326 34.6361 -21.5787 34.6367 -122.481 GPRESSURE: 4740400 171.81 -219.008 23.5387 -235.573 -75.8794 24.0991 71.468 -32.2549 -86.062 PRESSAVG: 4740400 66.5518 -47.4283 -16.3003 -47.4283 -21.2179 43.3144 -16.3003 43.3143 14.8377 GPRESSAVG: 4740400 67.06 -48.3831 -15.2557 -46.3318 -21.2859 45.2744 -12.4691 43.6977 14.1294 TIMING: 4740400 CPU: 15065.3, 0.00324903/step Wall: 15065.3, 0.00324903/step, 0.234291 hours remaining, 238.355469 MB of memory in use. ENERGY: 4740400 4004.4910 20491.4257 14480.0085 240.5691 -203536.5491 2513.0390 0.0000 0.0000 52068.4797 -109738.5361 299.2383 -161807.0158 -109378.6760 298.7969 -19.6671 3.2895 760491.4218 20.0572 19.9678 PRESSURE: 4740600 184.755 -80.6129 424.429 -80.6139 -213.289 -164.259 424.429 -164.259 244.144 GPRESSURE: 4740600 193.819 38.9627 494.532 -64.8662 -75.7366 -231.925 307.127 -116.294 200.883 PRESSAVG: 4740600 64.1534 -70.352 53.8404 -70.352 -47.6223 13.2623 53.8404 13.2623 -7.24541 GPRESSAVG: 4740600 64.8174 -70.8137 52.8755 -72.1364 -47.8871 12.621 51.8576 10.7015 -7.62954 TIMING: 4740600 CPU: 15065.9, 0.00318421/step Wall: 15065.9, 0.00318421/step, 0.22944 hours remaining, 238.558594 MB of memory in use. ENERGY: 4740600 3916.4810 20483.2271 14453.4417 223.3247 -202897.0018 2130.2059 0.0000 0.0000 51922.7427 -109767.5787 298.4007 -161690.3214 -109406.1089 298.6067 71.8700 106.3215 758695.1096 3.0952 3.1003 PRESSURE: 4740800 -91.2015 -115.324 -75.0583 -115.323 70.6994 -85.2719 -75.0582 -85.2727 394.841 GPRESSURE: 4740800 -24.7258 -109.653 -137.474 -231.906 70.6682 -39.1763 69.8842 18.6043 447.734 PRESSAVG: 4740800 28.5281 -34.1256 29.9597 -34.1256 29.9448 16.1524 29.9596 16.1524 22.7437 GPRESSAVG: 4740800 26.8454 -34.7608 30.8802 -32.7792 30.1789 15.7152 31.3085 18.2374 24.5951 TIMING: 4740800 CPU: 15066.6, 0.00316666/step Wall: 15066.6, 0.00316666/step, 0.227999 hours remaining, 238.558594 MB of memory in use. ENERGY: 4740800 3943.9481 20339.5136 14482.7108 230.5119 -203644.3273 2572.9996 0.0000 0.0000 52019.3560 -110055.2873 298.9560 -162074.6433 -109692.2277 298.7223 124.7796 164.5586 759068.0605 27.0722 27.2065 PRESSURE: 4741000 -193.361 112.684 51.5545 112.683 -232.248 177.623 51.5552 177.623 -316.74 GPRESSURE: 4741000 -189.824 29.4792 -43.0137 83.8324 -105.281 122.88 -11.536 164.866 -360.054 PRESSAVG: 4741000 -83.9473 -32.8796 -14.8857 -32.8797 50.8359 5.54369 -14.8857 5.54368 16.7974 GPRESSAVG: 4741000 -84.0136 -30.9491 -15.6819 -34.6852 51.8014 5.93662 -16.8226 3.95425 16.0101 TIMING: 4741000 CPU: 15067.2, 0.00319676/step Wall: 15067.2, 0.00319676/step, 0.229989 hours remaining, 238.558594 MB of memory in use. ENERGY: 4741000 4093.0479 20625.0401 14426.5849 230.6419 -203192.7020 2120.1837 0.0000 0.0000 51774.0872 -109923.1163 297.5464 -161697.2035 -109572.8615 298.6703 -247.4495 -218.3864 760150.2289 -5.4380 -5.4007 PRESSURE: 4741200 -184.816 -323.991 -159.814 -323.99 -121.932 118.724 -159.815 118.726 279.48 GPRESSURE: 4741200 -144.553 -221.808 -182.33 -322.437 -66.6199 67.8421 -204.169 198.298 278.727 PRESSAVG: 4741200 -36.0958 -26.393 -0.921712 -26.3931 41.8615 -12.1894 -0.921648 -12.1895 22.9413 GPRESSAVG: 4741200 -35.5172 -27.8653 -1.5422 -25.5565 41.3867 -12.3206 -1.24911 -12.1765 22.7023 TIMING: 4741200 CPU: 15067.8, 0.00315838/step Wall: 15067.8, 0.00315838/step, 0.227052 hours remaining, 238.558594 MB of memory in use. ENERGY: 4741200 3980.4577 20493.4816 14421.2189 237.5723 -203854.6496 2699.2261 0.0000 0.0000 52027.4190 -109995.2740 299.0023 -162022.6930 -109630.7020 298.4443 -9.0893 22.5179 759366.5518 9.5690 9.5240 PRESSURE: 4741400 -12.0264 40.3039 -161.824 40.3045 -100.346 38.9918 -161.825 38.9916 -187.616 GPRESSURE: 4741400 23.2275 31.3981 -53.5424 95.9105 -69.1111 14.7745 -144.081 46.6987 -173.711 PRESSAVG: 4741400 -14.3056 -21.4667 28.5645 -21.4667 19.718 39.5402 28.5644 39.5402 20.5572 GPRESSAVG: 4741400 -13.6636 -18.9453 30.7648 -20.8064 19.2527 39.0584 28.3267 41.0346 20.3642 TIMING: 4741400 CPU: 15068.5, 0.00317515/step Wall: 15068.5, 0.00317515/step, 0.228082 hours remaining, 238.558594 MB of memory in use. ENERGY: 4741400 4009.8740 20501.8396 14521.5625 256.5330 -203739.8817 2705.1670 0.0000 0.0000 51937.4829 -109807.4227 298.4854 -161744.9057 -109446.6978 298.6609 -99.9961 -73.1982 761031.2301 8.6565 8.6511 PRESSURE: 4741600 175.946 -116.359 124.738 -116.359 507.071 37.5912 124.739 37.5913 325.663 GPRESSURE: 4741600 245.399 -99.3981 108.883 -205.812 496.552 -6.415 146.152 -100.881 345.327 PRESSAVG: 4741600 -9.82265 -17.0428 7.98866 -17.0428 1.2241 -17.277 7.98866 -17.2771 -0.556318 GPRESSAVG: 4741600 -10.4092 -19.7147 5.94367 -17.983 1.80099 -17.2435 10.8947 -17.9181 -0.468917 TIMING: 4741600 CPU: 15069.1, 0.0031907/step Wall: 15069.1, 0.0031907/step, 0.229021 hours remaining, 238.558594 MB of memory in use. ENERGY: 4741600 4025.5693 20382.2890 14488.2781 235.8973 -203906.6100 2821.7064 0.0000 0.0000 51921.2131 -110031.6568 298.3919 -161952.8698 -109665.8855 298.3028 336.2265 362.4261 761274.0991 -3.0516 -3.0257 PRESSURE: 4741800 205.274 -1.71141 197.269 -1.71165 -17.9652 96.8392 197.269 96.8396 147.545 GPRESSURE: 4741800 335.468 68.0906 201.145 -34.2182 -35.4496 49.3836 118.303 102.621 132.764 PRESSAVG: 4741800 26.3135 -13.7684 66.8767 -13.7683 -4.55374 -34.9684 66.8767 -34.9684 2.89831 GPRESSAVG: 4741800 25.404 -11.6538 68.6464 -10.518 -3.68899 -35.1475 64.0907 -34.8297 2.59356 TIMING: 4741800 CPU: 15069.8, 0.0031813/step Wall: 15069.8, 0.0031813/step, 0.22817 hours remaining, 238.558594 MB of memory in use. ENERGY: 4741800 3971.8707 20356.4524 14473.7360 234.5201 -203538.8787 2660.8755 0.0000 0.0000 51988.6660 -109852.7580 298.7796 -161841.4240 -109496.0891 298.2512 111.6178 144.2606 760742.7030 8.2194 8.1029 PRESSURE: 4742000 -409.701 -92.6246 -124.309 -92.6244 43.3659 -226.574 -124.309 -226.575 -333.38 GPRESSURE: 4742000 -334.647 -34.9318 -105.281 -89.1013 28.6918 -307.71 73.037 50.2533 -305.962 PRESSAVG: 4742000 -0.979268 43.9051 2.90189 43.9051 6.95476 -8.98772 2.90191 -8.98781 -6.07229 GPRESSAVG: 4742000 1.6811 43.5979 0.695686 40.4258 5.52253 -11.3608 3.72526 -8.41912 -6.99793 TIMING: 4742000 CPU: 15070.4, 0.00318608/step Wall: 15070.4, 0.00318608/step, 0.228336 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4742000 4006.7546 20579.0684 14378.3072 263.2033 -203258.8416 2364.5233 0.0000 0.0000 51995.8378 -109671.1469 298.8208 -161666.9847 -109310.6553 298.4550 -233.2385 -203.9726 761580.6162 -0.0323 0.0686 PRESSURE: 4742200 -422.586 -107.166 -70.029 -107.166 -206.256 35.8448 -70.0293 35.8444 74.1927 GPRESSURE: 4742200 -412.929 -28.7332 -118.626 0.400099 -207.628 -6.93884 -152.067 33.1149 138.775 PRESSAVG: 4742200 -4.8828 -38.6684 -27.2586 -38.6685 27.9065 33.6336 -27.2586 33.6336 -12.3444 GPRESSAVG: 4742200 -6.58713 -36.8159 -26.2817 -39.4278 27.6576 34.7528 -27.6832 32.8224 -10.9481 TIMING: 4742200 CPU: 15071, 0.00320649/step Wall: 15071, 0.00320648/step, 0.22962 hours remaining, 238.558594 MB of memory in use. ENERGY: 4742200 4111.0561 20530.1684 14499.8488 241.9050 -203681.4163 2475.3199 0.0000 0.0000 52119.5507 -109703.5675 299.5318 -161823.1182 -109340.6738 298.9759 -184.8830 -160.5937 760899.1524 3.5598 3.3741 PRESSURE: 4742400 88.9439 17.7865 -139.074 17.7872 -85.9152 213.266 -139.074 213.268 -104.147 GPRESSURE: 4742400 79.2499 44.1042 -100.757 -51.7225 -42.5452 253.68 -101.289 312.925 -52.2963 PRESSAVG: 4742400 -24.0597 8.6371 -23.4829 8.63712 41.6851 65.6369 -23.4829 65.637 1.79982 GPRESSAVG: 4742400 -24.5017 6.31955 -21.4334 8.05058 42.6134 68.5264 -24.3241 65.7879 1.0659 TIMING: 4742400 CPU: 15071.7, 0.00314444/step Wall: 15071.7, 0.00314444/step, 0.225002 hours remaining, 238.558594 MB of memory in use. ENERGY: 4742400 3962.1460 20473.1421 14464.5674 252.0286 -203259.8279 2330.2551 0.0000 0.0000 52045.9443 -109731.7445 299.1088 -161777.6887 -109359.5036 298.8398 -33.7061 -5.1972 759469.4599 6.4751 6.3925 PRESSURE: 4742600 -72.6312 -63.5131 238.055 -63.5135 -431.071 -128.766 238.055 -128.767 50.8668 GPRESSURE: 4742600 53.4812 6.05945 146.586 -90.7369 -359.479 -81.5215 109.666 60.5639 -60.2649 PRESSAVG: 4742600 27.103 -64.2163 -18.0099 -64.2163 -18.255 50.4451 -18.0099 50.4451 5.98668 GPRESSAVG: 4742600 27.6127 -62.8964 -19.3575 -63.4568 -18.3044 49.492 -15.8364 50.3755 5.2293 TIMING: 4742600 CPU: 15072.3, 0.00316933/step Wall: 15072.3, 0.00316933/step, 0.226607 hours remaining, 238.558594 MB of memory in use. ENERGY: 4742600 3940.1778 20564.5566 14469.3234 268.4544 -203588.0563 2576.6643 0.0000 0.0000 52011.7217 -109757.1582 298.9121 -161768.8799 -109391.0197 298.0189 -150.9450 -122.0876 760830.2178 4.9449 4.8459 PRESSURE: 4742800 -335.053 34.0387 -53.4127 34.0387 -183.759 -83.917 -53.4123 -83.9165 5.24182 GPRESSURE: 4742800 -295.654 78.7262 -96.3833 37.6052 -34.0586 -73.2071 -60.6116 -137.674 -87.09 PRESSAVG: 4742800 0.0932893 -61.762 -34.3912 -61.762 -8.13179 -42.292 -34.3913 -42.292 46.1784 GPRESSAVG: 4742800 -0.117843 -60.8296 -35.0135 -60.7997 -7.73719 -43.1434 -36.4023 -41.5051 46.2675 TIMING: 4742800 CPU: 15072.9, 0.00317701/step Wall: 15072.9, 0.00317701/step, 0.22698 hours remaining, 238.558594 MB of memory in use. ENERGY: 4742800 4019.7431 20453.0229 14382.3247 235.3700 -203228.0243 2357.5796 0.0000 0.0000 52092.7757 -109687.2084 299.3779 -161779.9841 -109316.7281 298.8792 -171.1898 -138.9341 760857.4626 12.7133 12.8041 PRESSURE: 4743000 178.013 129.97 103.54 129.969 -257.461 63.7236 103.54 63.7229 204.139 GPRESSURE: 4743000 35.7187 87.1881 86.8579 104.25 -145.69 30.4343 24.4902 -16.5846 318.2 PRESSAVG: 4743000 31.7905 -5.52111 -34.1421 -5.52105 -18.7179 -21.0601 -34.142 -21.0601 -35.6177 GPRESSAVG: 4743000 30.4925 -6.46768 -34.2194 -4.69967 -18.9033 -22.123 -34.378 -20.2686 -33.8124 TIMING: 4743000 CPU: 15073.6, 0.00317647/step Wall: 15073.6, 0.00317647/step, 0.226765 hours remaining, 238.558594 MB of memory in use. ENERGY: 4743000 3980.3701 20773.1397 14487.7344 225.9879 -203306.2595 2517.4705 0.0000 0.0000 51948.5890 -109372.9679 298.5493 -161321.5569 -109018.9153 298.9324 41.5636 69.4096 760987.9455 -7.5150 -7.4077 PRESSURE: 4743200 125.321 139.934 -90.4377 139.934 212.245 -3.05976 -90.4373 -3.06003 -207.984 GPRESSURE: 4743200 198.747 242.258 -78.4405 175.362 173.127 -28.057 -22.6361 3.90095 -147.823 PRESSAVG: 4743200 -0.33267 5.73671 -26.1781 5.73666 19.0839 -47.2995 -26.1782 -47.2995 11.1002 GPRESSAVG: 4743200 -0.0872013 4.68977 -24.707 5.40592 18.4365 -46.4418 -25.8494 -48.4981 10.9734 TIMING: 4743200 CPU: 15074.2, 0.00317481/step Wall: 15074.2, 0.00317481/step, 0.22647 hours remaining, 238.558594 MB of memory in use. ENERGY: 4743200 3929.5345 20412.6518 14450.0931 252.9424 -203428.9022 2483.8209 0.0000 0.0000 52283.8233 -109616.0362 300.4759 -161899.8594 -109252.3779 299.4594 43.1942 74.6835 760917.3026 9.9505 9.7742 PRESSURE: 4743400 235.9 -15.0011 -38.7134 -15.0004 345.941 -24.5687 -38.7142 -24.5681 314.611 GPRESSURE: 4743400 235.426 47.8623 -6.7649 -160.818 323.485 18.3799 17.0176 28.2802 413.24 PRESSAVG: 4743400 -66.2798 8.78758 -38.3653 8.7876 32.9633 -20.0476 -38.3653 -20.0476 2.19273 GPRESSAVG: 4743400 -65.5664 8.43506 -41.0452 9.05205 32.4963 -21.3961 -37.352 -20.0893 1.61152 TIMING: 4743400 CPU: 15074.8, 0.00316965/step Wall: 15074.8, 0.00316965/step, 0.225925 hours remaining, 238.558594 MB of memory in use. ENERGY: 4743400 3957.6669 20593.2857 14459.6618 231.5000 -203567.6576 2745.3764 0.0000 0.0000 52009.2654 -109570.9014 298.8980 -161580.1668 -109213.0345 298.9829 298.8171 324.0504 760540.2050 -10.3746 -10.4862 PRESSURE: 4743600 -309.953 -87.4226 -82.6582 -87.4221 109.662 -19.9081 -82.6577 -19.9073 267.691 GPRESSURE: 4743600 -224.458 10.9376 -38.6716 -35.5354 170.025 -70.2287 -78.4483 -27.2921 188.653 PRESSAVG: 4743600 -31.0499 -31.6815 -14.2514 -31.6816 20.6614 43.5994 -14.2514 43.5995 8.59034 GPRESSAVG: 4743600 -31.6209 -32.9378 -11.7696 -30.7908 21.8158 43.9305 -14.7222 44.0285 8.35387 TIMING: 4743600 CPU: 15075.5, 0.00318241/step Wall: 15075.5, 0.00318241/step, 0.226658 hours remaining, 238.558594 MB of memory in use. ENERGY: 4743600 3951.4195 20582.5318 14507.8490 240.5051 -203049.2709 2275.3494 0.0000 0.0000 51893.1567 -109598.4594 298.2307 -161491.6161 -109239.5552 299.2340 22.4668 44.7399 760833.3874 -0.5994 -0.4837 PRESSURE: 4743800 307.822 194.761 -2.31926 194.761 339.784 -57.1649 -2.31942 -57.1641 209.973 GPRESSURE: 4743800 449.996 265.96 -5.28108 206.989 316.905 -91.3603 -52.8935 65.4945 160.346 PRESSAVG: 4743800 -49.7757 -36.4884 -14.7556 -36.4884 22.4189 -12.8459 -14.7556 -12.8459 18.6884 GPRESSAVG: 4743800 -48.9013 -36.6156 -16.3534 -36.0016 22.2412 -11.4924 -15.0733 -13.9667 17.4204 TIMING: 4743800 CPU: 15076.1, 0.00316999/step Wall: 15076.1, 0.00316999/step, 0.225597 hours remaining, 238.558594 MB of memory in use. ENERGY: 4743800 3973.3260 20542.1430 14503.8665 249.7396 -203537.6892 2545.6214 0.0000 0.0000 52002.4305 -109720.5623 298.8587 -161722.9928 -109359.9921 298.8560 285.8598 309.0824 758217.6800 -2.8895 -3.0799 PRESSURE: 4744000 116.964 -11.3374 147.504 -11.3372 -67.3486 -133.358 147.502 -133.358 120.44 GPRESSURE: 4744000 136.236 -79.9172 153.064 11.2739 -14.0917 -46.402 80.2991 -135.618 127.846 PRESSAVG: 4744000 -25.197 -2.05218 16.4017 -2.05222 31.4597 -37.2389 16.4017 -37.2388 -22.5723 GPRESSAVG: 4744000 -25.7347 -0.0994758 16.959 -3.62218 30.8832 -38.7043 17.293 -35.7548 -21.6704 TIMING: 4744000 CPU: 15076.7, 0.00317272/step Wall: 15076.7, 0.00317272/step, 0.225616 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4744000 3977.0530 20656.3691 14347.9693 224.2426 -203678.0730 2658.6422 0.0000 0.0000 52051.5657 -109762.2309 299.1411 -161813.7967 -109398.5762 298.7889 56.6851 83.3301 759664.9369 -5.4366 -5.5073 PRESSURE: 4744200 277.611 -114.747 187.998 -114.746 84.4362 54.3273 187.998 54.3269 41.9819 GPRESSURE: 4744200 355.521 -177.356 212.369 -115.871 124.629 71.281 186.106 148.425 26.3113 PRESSAVG: 4744200 21.8718 -16.5328 54.8107 -16.5328 -0.139986 -76.9422 54.8107 -76.9423 23.8251 GPRESSAVG: 4744200 22.542 -15.0987 54.4913 -16.7629 -0.291385 -75.2574 55.0938 -77.1789 23.9389 TIMING: 4744200 CPU: 15077.4, 0.00317362/step Wall: 15077.4, 0.00317362/step, 0.225503 hours remaining, 238.558594 MB of memory in use. ENERGY: 4744200 3976.4641 20419.7915 14409.4449 239.2571 -203305.3309 2568.1314 0.0000 0.0000 51970.3595 -109721.8823 298.6744 -161692.2419 -109345.6057 298.9491 134.6765 168.8203 758846.5689 15.1856 15.3965 LDB: ============= START OF LOAD BALANCING ============== 15089.8 LDB: ============== END OF LOAD BALANCING =============== 15089.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15089.8 LDB: ============= START OF LOAD BALANCING ============== 15090.1 LDB: Largest compute 7058 load 0.034182 is 17.5% of average load 0.195884 LDB: Average compute 0.004386 is 2.2% of average load 0.195884 LDB: TIME 15090.1 LOAD: AVG 0.195884 MAX 0.226034 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 15090.1 LOAD: AVG 0.195884 MAX 0.226034 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 15090.1 LOAD: AVG 0.195884 MAX 0.226034 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15090.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15090.1 PRESSURE: 4744400 87.5204 -151.084 123.656 -151.084 79.8148 170.368 123.656 170.368 351.838 GPRESSURE: 4744400 159.099 -174.092 173.302 -150.028 62.6557 133.429 71.6187 315.172 373.156 PRESSAVG: 4744400 44.2503 -58.2884 -26.358 -58.2884 -12.432 -47.5128 -26.358 -47.5128 -3.88235 GPRESSAVG: 4744400 44.7177 -62.0647 -26.4573 -56.4101 -12.9258 -48.0498 -27.2675 -46.0176 -4.16153 TIMING: 4744400 CPU: 15078, 0.00321103/step Wall: 15078, 0.00321103/step, 0.227983 hours remaining, 238.613281 MB of memory in use. ENERGY: 4744400 3956.4085 20434.3270 14370.6227 248.6204 -203230.4028 2457.8909 0.0000 0.0000 51943.8122 -109818.7209 298.5218 -161762.5331 -109453.9573 299.0188 173.0579 198.3035 759621.3711 9.3120 9.2101 PRESSURE: 4744600 -99.5623 42.6576 48.496 42.6579 -171.037 -18.7335 48.4963 -18.7328 76.5028 GPRESSURE: 4744600 -111.601 29.9364 74.1186 34.0859 -122.638 -101.224 64.3555 26.409 99.5797 PRESSAVG: 4744600 -18.258 -56.095 9.3554 -56.095 -42.8033 20.6092 9.35538 20.6092 -11.0313 GPRESSAVG: 4744600 -21.5018 -52.8391 9.21905 -57.6992 -41.748 20.1746 10.5839 19.4207 -9.06952 TIMING: 4744600 CPU: 15078.6, 0.00314001/step Wall: 15078.6, 0.00314001/step, 0.222766 hours remaining, 238.613281 MB of memory in use. ENERGY: 4744600 4007.9773 20587.0598 14418.4133 245.7428 -203568.3498 2562.0534 0.0000 0.0000 51977.5937 -109769.5096 298.7159 -161747.1033 -109417.7366 298.1525 -64.6988 -44.8865 760544.7519 -24.0309 -24.1064 PRESSURE: 4744800 26.652 -123.882 -61.8609 -123.882 84.1271 149.949 -61.8616 149.949 -240.436 GPRESSURE: 4744800 129.661 -128.908 28.0611 -81.1575 -11.68 189.945 44.4949 126.184 -174.984 PRESSAVG: 4744800 38.0575 8.44919 77.4987 8.44905 13.153 12.0732 77.4986 12.0732 29.1099 GPRESSAVG: 4744800 40.7782 7.21785 78.0402 8.71577 12.1062 12.8174 77.2708 10.1392 27.9192 TIMING: 4744800 CPU: 15079.3, 0.00315608/step Wall: 15079.3, 0.00315609/step, 0.223731 hours remaining, 238.613281 MB of memory in use. ENERGY: 4744800 3966.2139 20629.8263 14389.4274 255.0838 -203460.4317 2538.5885 0.0000 0.0000 51949.7713 -109731.5205 298.5560 -161681.2918 -109368.9960 298.9887 -43.2190 -19.0010 760747.1589 26.7735 26.9345 PRESSURE: 4745000 -24.4661 -30.8615 183.361 -30.8615 -262.574 23.6413 183.36 23.6416 -25.7196 GPRESSURE: 4745000 -94.5481 -128.673 163.747 79.353 -144.087 -44.8072 143.083 91.2209 13.1841 PRESSAVG: 4745000 -12.3156 -13.8173 30.4015 -13.8173 -19.0051 -30.3949 30.4015 -30.395 -12.438 GPRESSAVG: 4745000 -12.7482 -13.4066 31.0564 -13.353 -17.7507 -31.0409 28.8655 -28.1226 -12.3335 TIMING: 4745000 CPU: 15079.9, 0.0031648/step Wall: 15079.9, 0.00316479/step, 0.224173 hours remaining, 238.613281 MB of memory in use. ENERGY: 4745000 4027.7000 20477.9377 14428.8701 243.9121 -203413.4393 2553.0680 0.0000 0.0000 51997.1653 -109684.7861 298.8284 -161681.9514 -109334.3248 298.4567 -104.2532 -75.1504 760521.9276 -14.5862 -14.2775 PRESSURE: 4745200 121.245 75.156 37.7702 75.1561 1.22135 -95.4147 37.7702 -95.4153 184.473 GPRESSURE: 4745200 114.292 127.731 81.6012 26.7631 99.1416 -189.149 89.191 -98.2796 194.857 PRESSAVG: 4745200 -3.20276 46.7352 1.96228 46.7352 20.5773 -6.75679 1.9623 -6.75677 14.9661 GPRESSAVG: 4745200 -4.23039 46.6253 2.71722 47.3378 21.23 -6.24094 0.134203 -6.88481 15.5204 TIMING: 4745200 CPU: 15080.5, 0.00315923/step Wall: 15080.5, 0.00315923/step, 0.223603 hours remaining, 238.613281 MB of memory in use. ENERGY: 4745200 3964.6835 20571.1224 14362.3539 241.3652 -203365.6967 2526.5331 0.0000 0.0000 51819.1537 -109880.4849 297.8054 -161699.6386 -109513.3104 298.5472 102.3133 136.0968 760768.6141 10.7802 10.8400 PRESSURE: 4745400 405.881 -77.6384 9.55053 -77.6385 256.088 205.709 9.55028 205.71 50.4616 GPRESSURE: 4745400 445.141 -97.448 100.612 -59.8038 341.132 231.633 102.206 100.077 22.2316 PRESSAVG: 4745400 -16.2348 -15.4807 4.80058 -15.4807 26.2567 -8.21986 4.80055 -8.21989 -13.6502 GPRESSAVG: 4745400 -14.4515 -15.8129 6.03651 -15.9269 25.0873 -7.44123 6.48849 -8.38566 -14.129 TIMING: 4745400 CPU: 15081.2, 0.00314536/step Wall: 15081.2, 0.00314536/step, 0.222447 hours remaining, 238.613281 MB of memory in use. ENERGY: 4745400 4009.9323 20386.6423 14359.1845 248.1334 -203610.4031 2921.7320 0.0000 0.0000 51896.4109 -109788.3677 298.2494 -161684.7786 -109432.0953 298.8565 237.4769 269.5017 758867.1399 -1.2095 -1.1644 PRESSURE: 4745600 -309.923 86.8424 98.177 86.8429 -194.872 41.3985 98.1764 41.3984 -236.566 GPRESSURE: 4745600 -324.354 114.43 54.0363 136.612 -100.7 45.872 168.05 -19.2778 -248.728 PRESSAVG: 4745600 8.58187 -38.4125 3.63662 -38.4125 34.9699 -27.4731 3.6367 -27.4731 -27.1566 GPRESSAVG: 4745600 7.82658 -39.9981 -0.230919 -38.6495 35.8062 -28.0089 1.84875 -26.348 -27.8266 TIMING: 4745600 CPU: 15081.8, 0.00314066/step Wall: 15081.8, 0.00314066/step, 0.22194 hours remaining, 238.613281 MB of memory in use. ENERGY: 4745600 4030.6521 20324.3173 14483.3489 235.4377 -203406.7038 2286.5279 0.0000 0.0000 51957.9504 -110088.4696 298.6031 -162046.4199 -109712.1753 298.4461 -247.1202 -224.5943 758923.2374 5.4650 5.2687 PRESSURE: 4745800 -218.617 -100.504 -323.902 -100.504 -8.97361 -172.335 -323.902 -172.335 -397.65 GPRESSURE: 4745800 -147.745 -87.7381 -271.307 -143.431 -75.265 -75.6066 -154.556 -239.863 -326.781 PRESSAVG: 4745800 -69.6303 -47.4105 -15.5123 -47.4104 64.3886 23.1064 -15.5122 23.1064 -15.5165 GPRESSAVG: 4745800 -69.8976 -43.1963 -15.0968 -49.6745 64.1293 23.531 -12.8036 20.6589 -15.3557 TIMING: 4745800 CPU: 15082.4, 0.00317078/step Wall: 15082.4, 0.00317078/step, 0.223892 hours remaining, 238.613281 MB of memory in use. ENERGY: 4745800 4074.9800 20443.1865 14476.1751 250.1473 -203359.6456 2285.0649 0.0000 0.0000 52041.4427 -109788.6491 299.0829 -161830.0919 -109434.0336 298.5539 -208.4137 -183.2636 758673.2034 -6.9194 -7.0413 PRESSURE: 4746000 -139.606 -38.5214 -135.484 -38.5219 -33.1576 255.886 -135.485 255.887 290.444 GPRESSURE: 4746000 -48.5032 -11.781 -210.507 -107.574 -20.6164 210.961 -120.789 256.099 269.788 PRESSAVG: 4746000 28.2228 19.6064 31.5566 19.6063 -23.99 15.2078 31.5565 15.2078 -8.23402 GPRESSAVG: 4746000 29.1869 18.3077 32.2919 20.6549 -23.4227 13.4619 30.6136 15.9008 -9.30262 TIMING: 4746000 CPU: 15083.1, 0.00317319/step Wall: 15083.1, 0.00317319/step, 0.223886 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4746000 4069.1485 20658.0902 14388.0052 243.6950 -203591.9837 2553.1618 0.0000 0.0000 51954.2885 -109725.5944 298.5820 -161679.8830 -109374.8639 299.1469 39.2269 66.8894 758825.5099 -1.3338 -1.1795 PRESSURE: 4746200 164.863 69.2725 55.1777 69.2734 -169.559 67.5393 55.1772 67.5401 352.918 GPRESSURE: 4746200 172.484 61.1983 34.5453 57.0662 -70.2917 12.9622 124.344 65.0888 322.184 PRESSAVG: 4746200 6.05529 -26.0488 35.9535 -26.0487 19.3274 15.0562 35.9534 15.0562 25.3806 GPRESSAVG: 4746200 5.33788 -27.5847 36.4469 -25.2791 19.4452 17.165 34.42 13.0108 25.7759 TIMING: 4746200 CPU: 15083.7, 0.00318388/step Wall: 15083.7, 0.00318388/step, 0.224464 hours remaining, 238.613281 MB of memory in use. ENERGY: 4746200 4018.3249 20531.7971 14414.2534 254.3134 -203671.5915 2725.7143 0.0000 0.0000 51886.2198 -109840.9685 298.1908 -161727.1884 -109481.3448 299.1532 116.0739 141.4586 759565.9892 16.9211 16.8530 PRESSURE: 4746400 307.055 -3.05867 -55.9027 -3.05843 -193.032 -96.0242 -55.9011 -96.0245 20.9725 GPRESSURE: 4746400 194.056 31.9335 101.306 -39.913 -26.4081 -104.952 -168.671 -122.639 59.8855 PRESSAVG: 4746400 44.4809 -29.4158 21.5737 -29.4158 -4.60823 13.5776 21.5737 13.5776 2.92786 GPRESSAVG: 4746400 42.8792 -27.6493 20.6643 -28.5014 -4.34939 13.8149 20.6739 14.3167 4.55839 TIMING: 4746400 CPU: 15084.3, 0.00316985/step Wall: 15084.3, 0.00316985/step, 0.223299 hours remaining, 238.613281 MB of memory in use. ENERGY: 4746400 3958.2771 20599.5102 14430.6622 231.7621 -203680.7620 2796.9820 0.0000 0.0000 51947.1206 -109716.4479 298.5408 -161663.5685 -109362.6165 298.9888 44.9983 75.8446 759703.3305 14.2668 14.3627 PRESSURE: 4746600 -112.22 -228.345 -139.369 -228.345 -288.336 -69.2533 -139.37 -69.2537 -141.606 GPRESSURE: 4746600 -31.4651 -124.354 -155.334 -120.383 -223.355 -73.9476 -113.72 142.595 -218.583 PRESSAVG: 4746600 22.7664 -43.8419 -10.7448 -43.8419 -63.9049 38.5229 -10.7448 38.5228 12.9705 GPRESSAVG: 4746600 24.2571 -44.0832 -9.54477 -43.97 -64.7482 37.035 -9.21965 39.1824 12.3383 TIMING: 4746600 CPU: 15085, 0.00318365/step Wall: 15085, 0.00318365/step, 0.224093 hours remaining, 238.613281 MB of memory in use. ENERGY: 4746600 3973.7375 20406.7270 14519.9611 261.2659 -203272.2645 2480.1816 0.0000 0.0000 52314.8351 -109315.5562 300.6541 -161630.3913 -108955.9403 298.9513 -180.7205 -157.8008 760360.3610 -9.3893 -9.3842 PRESSURE: 4746800 63.6339 -49.8817 -287.798 -49.8824 -39.0083 -74.315 -287.798 -74.3144 -246.636 GPRESSURE: 4746800 57.8786 -90.9997 -198.6 9.28955 53.0903 -11.9546 -301.944 24.9437 -251.881 PRESSAVG: 4746800 14.3416 -50.054 -15.7345 -50.054 18.1471 66.8572 -15.7345 66.8572 23.2394 GPRESSAVG: 4746800 14.4999 -48.4274 -16.092 -51.8865 18.4484 68.0993 -15.9501 67.8433 22.4414 TIMING: 4746800 CPU: 15085.6, 0.00316589/step Wall: 15085.6, 0.00316589/step, 0.222668 hours remaining, 238.613281 MB of memory in use. ENERGY: 4746800 4000.8604 20518.6973 14488.3753 240.9336 -203051.5245 2217.2414 0.0000 0.0000 51986.5945 -109598.8220 298.7677 -161585.4165 -109238.4258 299.9243 -74.0035 -46.9708 759921.6848 18.5760 18.4632 PRESSURE: 4747000 -183.917 -332.599 -100.896 -332.597 -221.882 -163.214 -100.896 -163.214 -545.943 GPRESSURE: 4747000 -142.555 -385.775 -64.2727 -292.75 -290.734 -167.144 -5.47263 -148.55 -425.634 PRESSAVG: 4747000 -17.2192 -40.4772 -10.4462 -40.4771 -16.4804 -14.4498 -10.4462 -14.4498 -14.5595 GPRESSAVG: 4747000 -16.9008 -39.8452 -10.3394 -39.3061 -18.796 -15.4963 -10.2901 -14.7552 -12.8199 TIMING: 4747000 CPU: 15086.2, 0.00317271/step Wall: 15086.2, 0.00317271/step, 0.222971 hours remaining, 238.613281 MB of memory in use. ENERGY: 4747000 4006.9505 20618.6400 14427.0891 241.5561 -203358.9836 2276.0875 0.0000 0.0000 52073.5789 -109715.0815 299.2676 -161788.6604 -109356.1441 298.7963 -317.2472 -286.3081 758748.2004 -16.0864 -16.1722 PRESSURE: 4747200 -220.083 32.8255 166.325 32.8257 -165.774 45.2153 166.325 45.2157 -68.8341 GPRESSURE: 4747200 -181.649 27.0551 115.866 56.6035 -193.558 38.4211 2.76775 -113.529 -12.4656 PRESSAVG: 4747200 -28.6564 -40.9542 12.468 -40.9542 37.6105 16.0812 12.4679 16.0811 -5.77447 GPRESSAVG: 4747200 -28.0002 -41.7937 13.0719 -44.1304 38.438 16.4201 13.5163 15.5119 -7.72943 TIMING: 4747200 CPU: 15086.9, 0.00318584/step Wall: 15086.9, 0.00318584/step, 0.223717 hours remaining, 238.613281 MB of memory in use. ENERGY: 4747200 3906.0354 20483.8294 14469.6076 251.8559 -203100.7704 2005.6082 0.0000 0.0000 52161.0373 -109822.7967 299.7702 -161983.8340 -109444.7719 298.8272 -151.5639 -129.2244 758212.5788 1.0599 0.9028 PRESSURE: 4747400 -31.6546 -71.8216 -340.957 -71.8215 145.576 31.6483 -340.957 31.6474 47.9318 GPRESSURE: 4747400 55.4103 -73.0011 -364.957 -112.623 196.011 35.0763 -370.501 56.1899 -8.02937 PRESSAVG: 4747400 -5.05919 4.40009 45.172 4.4001 -9.01336 -2.35601 45.1721 -2.35603 19.2622 GPRESSAVG: 4747400 -5.81719 2.79105 43.5608 6.57475 -8.89152 -2.88818 44.5725 -1.26225 20.1 TIMING: 4747400 CPU: 15087.5, 0.00316799/step Wall: 15087.5, 0.00316799/step, 0.222287 hours remaining, 238.613281 MB of memory in use. ENERGY: 4747400 4016.4834 20648.3358 14386.4568 234.2539 -203596.1544 2525.0699 0.0000 0.0000 51949.3642 -109836.1904 298.5537 -161785.5547 -109463.9814 299.0907 53.9509 81.1307 759694.9624 1.7299 1.7971 PRESSURE: 4747600 207.431 77.3125 42.4436 77.3121 228.107 -315.691 42.4432 -315.692 278.168 GPRESSURE: 4747600 151.78 78.3534 -110.437 149.977 293.366 -285.33 107.875 -213.462 326.726 PRESSAVG: 4747600 -86.9908 6.38906 -12.1008 6.38903 77.973 15.1258 -12.1008 15.1258 4.23035 GPRESSAVG: 4747600 -88.7659 7.05432 -12.7257 6.60738 78.7312 15.9917 -13.1429 15.8184 4.75787 TIMING: 4747600 CPU: 15088.2, 0.00317594/step Wall: 15088.2, 0.00317594/step, 0.222669 hours remaining, 238.613281 MB of memory in use. ENERGY: 4747600 3982.0538 20495.3185 14480.7814 252.3720 -203534.1373 2587.9523 0.0000 0.0000 52034.2977 -109701.3617 299.0418 -161735.6594 -109341.3827 299.2694 237.9023 257.2909 758647.5012 -1.5958 -1.7589 PRESSURE: 4747800 -69.5373 61.7424 -52.3082 61.7422 117.756 1.49087 -52.3085 1.49137 113.933 GPRESSURE: 4747800 13.0101 107.911 -55.5931 7.27725 136.297 25.3452 -25.3626 38.0638 103.181 PRESSAVG: 4747800 -50.2584 37.7101 -17.6652 37.7102 70.9046 -10.0299 -17.6652 -10.0299 1.31279 GPRESSAVG: 4747800 -49.7043 36.867 -17.4911 37.2182 70.1648 -10.909 -16.9474 -9.84228 1.29848 TIMING: 4747800 CPU: 15088.8, 0.00316054/step Wall: 15088.8, 0.00316054/step, 0.221413 hours remaining, 238.613281 MB of memory in use. ENERGY: 4747800 3990.8935 20463.3789 14458.5801 253.7948 -203698.8654 2442.1923 0.0000 0.0000 52303.3948 -109786.6309 300.5883 -162090.0257 -109416.0135 299.3476 54.0505 84.1626 759361.4588 7.3197 7.2530 PRESSURE: 4748000 46.4479 -112.78 61.4106 -112.78 186.529 171.38 61.4102 171.379 88.7079 GPRESSURE: 4748000 43.1666 -122.483 50.1422 9.02984 184.259 65.9815 79.7977 160.468 192.58 PRESSAVG: 4748000 -1.05625 17.7458 15.8382 17.7457 9.69555 9.63943 15.8383 9.63946 -6.60425 GPRESSAVG: 4748000 -0.688738 19.4883 17.6497 19.9484 9.45729 11.3032 14.0614 7.56121 -6.93008 TIMING: 4748000 CPU: 15089.4, 0.00318312/step Wall: 15089.4, 0.00318312/step, 0.222818 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4748000 3896.7805 20373.4008 14423.6511 252.9471 -203189.7185 2658.5869 0.0000 0.0000 51864.9992 -109719.3528 298.0689 -161584.3521 -109354.3247 299.0701 107.2284 140.0016 760542.5833 0.6783 0.6128 PRESSURE: 4748200 -290.643 -40.3606 27.2075 -40.3604 -157.576 68.6364 27.2073 68.6362 -170.983 GPRESSURE: 4748200 -224.496 -191.485 40.0395 -54.7227 -172.416 117.404 -19.2973 56.2375 -136.252 PRESSAVG: 4748200 -47.8525 -23.5865 14.5023 -23.5865 50.3916 37.1294 14.5022 37.1293 11.2486 GPRESSAVG: 4748200 -47.631 -23.6984 12.9255 -23.6841 50.5754 35.2493 17.6275 37.9586 10.4013 TIMING: 4748200 CPU: 15090.1, 0.0031717/step Wall: 15090.1, 0.0031717/step, 0.221843 hours remaining, 238.613281 MB of memory in use. ENERGY: 4748200 3901.5130 20634.7087 14469.9656 258.5420 -202984.1345 2144.0675 0.0000 0.0000 51832.6067 -109742.7310 297.8827 -161575.3377 -109380.6843 298.5848 -206.4006 -177.7212 761895.9584 4.5959 4.4486 LDB: ============= START OF LOAD BALANCING ============== 15102.5 LDB: ============== END OF LOAD BALANCING =============== 15102.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15102.5 LDB: ============= START OF LOAD BALANCING ============== 15102.8 LDB: Largest compute 7048 load 0.035087 is 17.9% of average load 0.195994 LDB: Average compute 0.004413 is 2.3% of average load 0.195994 LDB: TIME 15102.8 LOAD: AVG 0.195994 MAX 0.224614 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.102 MB LDB: TIME 15102.8 LOAD: AVG 0.195994 MAX 0.224614 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.105 MB LDB: TIME 15102.8 LOAD: AVG 0.195994 MAX 0.224614 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15102.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15102.8 PRESSURE: 4748400 129.625 150.854 164.097 150.854 54.2649 226.647 164.097 226.648 -333.804 GPRESSURE: 4748400 120.465 70.9283 124.906 51.284 106.295 186.657 168.886 210.049 -284.212 PRESSAVG: 4748400 -47.5773 -32.7308 2.39105 -32.7308 35.8378 30.0144 2.39102 30.0143 13.8134 GPRESSAVG: 4748400 -48.198 -35.3325 2.30868 -34.4693 35.6167 31.3681 0.203732 29.2719 14.8671 TIMING: 4748400 CPU: 15090.7, 0.003249/step Wall: 15090.7, 0.003249/step, 0.227069 hours remaining, 238.921875 MB of memory in use. ENERGY: 4748400 3964.3141 20726.0236 14468.8373 238.9422 -203287.5133 2645.9303 0.0000 0.0000 51685.6057 -109557.8601 297.0379 -161243.4658 -109200.4220 299.1153 -49.9714 -19.1507 760637.4800 0.6913 0.7619 PRESSURE: 4748600 -252.215 144.538 -126.518 144.538 -167.606 -77.6552 -126.518 -77.6549 265.654 GPRESSURE: 4748600 -194.921 48.9072 -74.1878 26.3532 -157.049 -146.115 -136.911 -50.3718 272.413 PRESSAVG: 4748600 -25.9388 8.34571 45.4602 8.34568 22.2949 15.1127 45.4602 15.1126 3.41554 GPRESSAVG: 4748600 -27.6968 8.29605 45.0331 9.31024 24.2323 13.8172 45.2409 15.3265 2.37121 TIMING: 4748600 CPU: 15091.3, 0.00319632/step Wall: 15091.3, 0.00319632/step, 0.22321 hours remaining, 238.988281 MB of memory in use. ENERGY: 4748600 3975.7538 20418.5072 14497.9454 229.9485 -203399.9575 2580.0069 0.0000 0.0000 52360.5817 -109337.2139 300.9170 -161697.7956 -108958.5142 299.3135 -51.3888 -26.5189 762490.6550 -0.0761 -0.3644 PRESSURE: 4748800 137.366 -142.98 202.908 -142.981 29.5556 -107.957 202.908 -107.957 -399.304 GPRESSURE: 4748800 134.564 -142.661 130.575 -107.811 13.4163 -26.7133 176.812 -30.8875 -283.88 PRESSAVG: 4748800 -14.0342 16.2799 15.6242 16.2799 24.2308 -2.28598 15.6242 -2.28605 -8.01877 GPRESSAVG: 4748800 -14.4744 17.8025 16.7868 16.3131 22.8129 -1.24265 16.0366 -0.805366 -6.48589 TIMING: 4748800 CPU: 15092, 0.00319093/step Wall: 15092, 0.00319093/step, 0.222656 hours remaining, 238.988281 MB of memory in use. ENERGY: 4748800 4038.8583 20582.6500 14491.1425 229.0095 -203182.9176 2494.1231 0.0000 0.0000 52045.0186 -109302.1155 299.1034 -161347.1341 -108934.3245 299.8656 -77.4606 -45.2998 761826.1673 0.7259 0.6175 PRESSURE: 4749000 69.5231 -104.168 -103.64 -104.167 -269.478 -149.613 -103.64 -149.613 -178.712 GPRESSURE: 4749000 207.946 -104.182 -77.1067 -62.5186 -266.906 -211.413 -60.2882 -101.805 -236.13 PRESSAVG: 4749000 -2.16171 -37.0185 19.7532 -37.0185 33.0593 -20.7283 19.7532 -20.7283 -9.34761 GPRESSAVG: 4749000 0.456512 -37.3037 20.7536 -37.0286 31.9167 -20.6752 20.5109 -22.967 -11.0328 TIMING: 4749000 CPU: 15092.6, 0.00321174/step Wall: 15092.6, 0.00321174/step, 0.22393 hours remaining, 238.988281 MB of memory in use. ENERGY: 4749000 4070.1494 20499.5817 14526.7808 236.0876 -203168.7216 2539.4010 0.0000 0.0000 52205.8856 -109090.8356 300.0279 -161296.7211 -108726.6881 299.7118 -126.2222 -98.3634 760487.9322 7.1833 7.1135 PRESSURE: 4749200 -2.12851 -53.9071 218.873 -53.9069 -68.6441 -203.74 218.874 -203.741 274.51 GPRESSURE: 4749200 -19.5051 -196.89 188.09 -33.4554 31.1222 -192.915 221.363 -171.697 277.268 PRESSAVG: 4749200 -5.06153 -19.5533 20.4478 -19.5533 -19.1633 -17.5647 20.4477 -17.5647 -7.61159 GPRESSAVG: 4749200 -5.05447 -18.6012 18.9778 -20.4417 -19.4806 -18.2416 20.0836 -16.753 -7.70388 TIMING: 4749200 CPU: 15093.3, 0.00319867/step Wall: 15093.3, 0.00319867/step, 0.222841 hours remaining, 238.988281 MB of memory in use. ENERGY: 4749200 4042.0990 20543.9512 14372.6455 229.3986 -203049.3067 2475.7679 0.0000 0.0000 52333.3848 -109052.0598 300.7607 -161385.4446 -108686.8452 300.4357 67.9125 96.2950 762239.1829 -10.6121 -10.7463 PRESSURE: 4749400 101.187 -9.94254 -41.4436 -9.94271 -288.777 -76.1039 -41.4448 -76.1041 111.477 GPRESSURE: 4749400 113.73 -49.7295 -51.3104 11.4566 -228.727 -48.9586 -98.1441 -99.3041 122.158 PRESSAVG: 4749400 2.78284 -22.4202 60.9706 -22.4202 -32.6469 -23.5572 60.9706 -23.5573 -31.9694 GPRESSAVG: 4749400 1.19895 -23.3084 62.1015 -22.8901 -30.216 -22.2027 59.3499 -23.0119 -32.6507 TIMING: 4749400 CPU: 15093.9, 0.00320398/step Wall: 15093.9, 0.00320398/step, 0.223032 hours remaining, 238.988281 MB of memory in use. ENERGY: 4749400 3903.0097 20483.9596 14467.4289 260.1197 -203062.2100 2410.3101 0.0000 0.0000 52366.8712 -109170.5107 300.9531 -161537.3819 -108806.5085 300.5294 -25.3710 2.3869 759944.8322 -20.6111 -20.5559 PRESSURE: 4749600 3.20709 14.4076 92.5717 14.4082 -764.273 -65.306 92.5724 -65.3065 -124.32 GPRESSURE: 4749600 -44.9614 5.48675 92.7241 -24.4265 -700.452 -104.433 74.369 -59.5175 -42.8971 PRESSAVG: 4749600 -7.00062 -5.48218 23.5316 -5.48216 57.298 10.0295 23.5317 10.0295 31.2246 GPRESSAVG: 4749600 -7.0872 -3.88386 23.4502 -3.88005 57.1566 8.98836 25.0902 10.6009 31.8969 TIMING: 4749600 CPU: 15094.5, 0.00321014/step Wall: 15094.5, 0.00321014/step, 0.223283 hours remaining, 238.988281 MB of memory in use. ENERGY: 4749600 4034.8605 20458.9546 14419.0496 263.5311 -203013.1886 2443.7694 0.0000 0.0000 52395.9476 -108997.0758 301.1202 -161393.0234 -108625.3390 300.1244 -295.1286 -262.7701 760935.5051 27.1740 27.3221 PRESSURE: 4749800 -272.765 -159.929 -4.14503 -159.929 18.9659 -162.811 -4.14539 -162.81 288.047 GPRESSURE: 4749800 -124.107 -232.094 161.363 -156.663 14.0578 -177.573 42.6738 -54.1622 236.324 PRESSAVG: 4749800 7.07116 1.15664 48.3242 1.15665 -39.1841 -37.0392 48.3243 -37.0392 -20.4938 GPRESSAVG: 4749800 7.81458 -0.6243 48.705 1.81015 -39.4267 -37.1862 48.0644 -35.9389 -21.0973 TIMING: 4749800 CPU: 15095.2, 0.00317867/step Wall: 15095.2, 0.00317867/step, 0.220918 hours remaining, 238.988281 MB of memory in use. ENERGY: 4749800 4012.0498 20368.0951 14480.3163 238.4778 -203170.2047 2467.4552 0.0000 0.0000 52378.5903 -109225.2202 301.0205 -161603.8105 -108865.8540 299.8960 11.4160 42.0918 760841.9541 -17.5356 -17.5698 PRESSURE: 4750000 70.0488 26.6792 168.671 26.6791 -9.88641 90.025 168.671 90.0253 101.809 GPRESSURE: 4750000 -11.0591 -59.0799 157.931 87.6802 113.021 5.44733 -10.9379 132.016 148.479 PRESSAVG: 4750000 13.6633 8.05202 54.2521 8.052 -5.8309 -17.3154 54.2521 -17.3154 16.9983 GPRESSAVG: 4750000 13.7031 9.64294 53.6736 5.26459 -5.39393 -16.3138 53.8489 -18.9598 16.4463 TIMING: 4750000 CPU: 15095.8, 0.0031777/step Wall: 15095.8, 0.0031777/step, 0.220673 hours remaining, 238.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4750000 3985.1627 20521.6672 14477.1893 244.7791 -202988.0478 2408.2918 0.0000 0.0000 52313.0726 -109037.8850 300.6439 -161350.9576 -108687.8198 299.8072 53.9906 83.4802 760792.7923 8.2769 8.2518 PRESSURE: 4750200 219.417 -23.8805 63.6929 -23.8804 217.537 -203.064 63.6938 -203.063 -10.7759 GPRESSURE: 4750200 297.469 -169.03 34.061 25.0577 155.365 -203.827 34.4055 -242.628 47.8117 PRESSAVG: 4750200 -12.6514 -27.3355 12.3866 -27.3355 -0.633461 -27.0236 12.3867 -27.0236 -14.0127 GPRESSAVG: 4750200 -14.0476 -28.7705 11.9944 -26.2721 -0.902293 -28.2586 16.3468 -27.1324 -12.4171 TIMING: 4750200 CPU: 15096.5, 0.00316927/step Wall: 15096.5, 0.00316927/step, 0.219912 hours remaining, 238.988281 MB of memory in use. ENERGY: 4750200 4005.4922 20591.8362 14460.6284 233.4969 -202911.7261 2531.1977 0.0000 0.0000 51872.6888 -109216.3860 298.1131 -161089.0748 -108856.9474 299.9630 142.0592 166.8818 761102.5299 -9.0992 -9.1223 PRESSURE: 4750400 -178.261 -98.1059 -53.8409 -98.1062 -71.1852 -9.12895 -53.8405 -9.1278 145.521 GPRESSURE: 4750400 -131.314 -37.2842 -68.3395 -233.636 -21.2404 -41.2099 61.9853 63.6999 114.95 PRESSAVG: 4750400 -28.621 -0.0663659 24.3834 -0.0663723 27.5556 -16.2641 24.3835 -16.2641 -2.13277 GPRESSAVG: 4750400 -26.3787 2.66507 23.7459 0.533027 26.6729 -14.6927 23.8664 -16.5269 -3.43578 TIMING: 4750400 CPU: 15097.1, 0.00315414/step Wall: 15097.1, 0.00315414/step, 0.218687 hours remaining, 238.988281 MB of memory in use. ENERGY: 4750400 3989.2612 20520.5165 14456.1002 256.3355 -202911.0047 2285.3445 0.0000 0.0000 52308.8289 -109094.6179 300.6196 -161403.4468 -108732.1681 299.9379 -34.6420 -12.5349 761819.8891 -1.0660 -1.0472 PRESSURE: 4750600 -131.507 3.86627 91.8624 3.86637 74.8415 -16.8146 91.8624 -16.8147 61.7207 GPRESSURE: 4750600 -110.905 70.0132 98.9472 -74.0267 134.087 59.7088 -41.5603 -129.87 58.8935 PRESSAVG: 4750600 28.7863 -51.8395 44.5905 -51.8394 -14.3675 -40.5086 44.5905 -40.5087 6.06168 GPRESSAVG: 4750600 27.3727 -53.0274 44.6779 -51.8373 -13.2838 -40.0786 43.4322 -38.9222 6.67218 TIMING: 4750600 CPU: 15097.7, 0.00316235/step Wall: 15097.7, 0.00316235/step, 0.219081 hours remaining, 238.988281 MB of memory in use. ENERGY: 4750600 3980.3990 20483.5642 14417.3225 242.3959 -203096.3992 2358.0897 0.0000 0.0000 52450.0658 -109164.5621 301.4312 -161614.6279 -108801.0756 300.3495 1.6849 27.3587 761185.9212 6.8268 6.9204 PRESSURE: 4750800 -68.5341 -124.54 39.3067 -124.539 -28.5489 311.132 39.3062 311.134 -222.887 GPRESSURE: 4750800 -20.125 -105.546 -37.9716 -59.0675 8.89836 290.497 34.5071 321.166 -226.849 PRESSAVG: 4750800 9.31144 -53.1074 -63.7672 -53.1074 57.4863 29.2228 -63.7672 29.2228 -22.9139 GPRESSAVG: 4750800 9.58234 -53.0649 -62.9483 -54.514 56.7007 29.9603 -64.6265 26.4995 -22.558 TIMING: 4750800 CPU: 15098.4, 0.00317889/step Wall: 15098.4, 0.00317889/step, 0.22005 hours remaining, 238.988281 MB of memory in use. ENERGY: 4750800 4080.7526 20559.9715 14439.1162 255.2257 -203095.9815 2575.1065 0.0000 0.0000 52057.7845 -109128.0245 299.1768 -161185.8090 -108769.7853 299.7837 -106.6568 -79.3584 762322.7995 14.6279 14.5750 PRESSURE: 4751000 87.276 54.2288 -43.1845 54.2293 -19.1531 231.12 -43.1849 231.119 -18.4283 GPRESSURE: 4751000 51.5657 -6.54742 -90.7574 -68.0661 39.8356 193.021 -150.916 206.266 37.3556 PRESSAVG: 4751000 -17.4708 -43.5424 -77.4124 -43.5423 31.1873 48.6466 -77.4125 48.6465 11.8708 GPRESSAVG: 4751000 -17.9893 -45.8546 -76.6758 -41.6397 32.4102 46.3755 -77.4624 48.0328 11.7355 TIMING: 4751000 CPU: 15099, 0.00318989/step Wall: 15099, 0.00318989/step, 0.220634 hours remaining, 238.988281 MB of memory in use. ENERGY: 4751000 3980.1027 20365.2160 14455.4050 232.1717 -203210.1908 2421.2134 0.0000 0.0000 52323.3161 -109432.7659 300.7028 -161756.0820 -109057.4635 299.8401 16.5648 42.9190 762060.8377 8.5291 8.7188 PRESSURE: 4751200 -351.688 57.1091 -280.122 57.1085 101.693 60.5914 -280.122 60.5905 -95.7745 GPRESSURE: 4751200 -317.618 152.198 -265.871 14.7414 43.4818 105.434 -262.053 -2.21821 8.65382 PRESSAVG: 4751200 -57.4982 22.09 -28.2685 22.0901 84.8598 -55.9427 -28.2685 -55.9427 -0.995071 GPRESSAVG: 4751200 -57.4892 22.9488 -29.7821 22.6405 83.7533 -54.555 -27.9194 -54.0079 -0.350625 TIMING: 4751200 CPU: 15099.6, 0.00320616/step Wall: 15099.6, 0.00320616/step, 0.221581 hours remaining, 238.988281 MB of memory in use. ENERGY: 4751200 4022.8766 20661.4948 14366.7329 246.0925 -202759.4386 2147.7768 0.0000 0.0000 51984.8994 -109329.5655 298.7579 -161314.4648 -108973.6983 299.4069 -115.2563 -88.4941 761270.5654 8.7888 8.6378 PRESSURE: 4751400 -131.784 124.877 215.255 124.878 -191.49 32.3804 215.256 32.3811 128.418 GPRESSURE: 4751400 -86.145 34.0268 230.616 245.965 -153.664 38.756 140.206 23.3996 143.695 PRESSAVG: 4751400 49.8419 -44.7591 -29.8461 -44.7592 -17.9266 -30.2149 -29.8462 -30.215 14.3599 GPRESSAVG: 4751400 49.2277 -44.7328 -30.8516 -43.5235 -16.3793 -31.2128 -28.4588 -30.7412 13.9154 TIMING: 4751400 CPU: 15100.3, 0.00317245/step Wall: 15100.3, 0.00317245/step, 0.219075 hours remaining, 238.988281 MB of memory in use. ENERGY: 4751400 4056.6252 20578.0983 14352.3878 243.6829 -203281.5369 2526.1710 0.0000 0.0000 52182.3767 -109342.1949 299.8928 -161524.5717 -108979.7784 299.9241 -64.9522 -32.0381 760856.3215 15.4251 15.5879 PRESSURE: 4751600 -472.846 -179.573 16.1842 -179.572 -268.871 137.311 16.184 137.312 -26.0744 GPRESSURE: 4751600 -402.292 -142.393 45.6924 -369.763 -140.033 149.873 28.6624 140.119 -146.36 PRESSAVG: 4751600 -39.6969 -83.2469 -95.0737 -83.2469 9.13171 -21.7738 -95.0737 -21.7737 25.9166 GPRESSAVG: 4751600 -37.7195 -83.1568 -93.3529 -87.7058 7.87639 -22.7185 -94.806 -22.1314 25.5157 TIMING: 4751600 CPU: 15100.9, 0.0031889/step Wall: 15100.9, 0.0031889/step, 0.220034 hours remaining, 238.988281 MB of memory in use. ENERGY: 4751600 3994.4388 20601.6092 14472.6469 245.2340 -203296.4202 2616.2784 0.0000 0.0000 52005.5061 -109360.7068 298.8764 -161366.2129 -109001.7826 299.7069 -255.9306 -229.5621 761764.8842 -1.5495 -1.4425 PRESSURE: 4751800 243.96 151.871 225.621 151.871 -32.7868 -72.6402 225.62 -72.6405 12.0365 GPRESSURE: 4751800 246.339 106.746 250.6 153.184 -26.5608 -21.2747 181.673 -84.2013 67.3233 PRESSAVG: 4751800 -18.5665 -25.1658 -51.573 -25.1658 29.6376 15.7881 -51.5731 15.788 5.86471 GPRESSAVG: 4751800 -19.3513 -25.7292 -52.1593 -22.5735 29.2802 15.1556 -53.1486 17.4851 6.08413 TIMING: 4751800 CPU: 15101.5, 0.00320405/step Wall: 15101.5, 0.00320405/step, 0.220902 hours remaining, 238.988281 MB of memory in use. ENERGY: 4751800 4076.8296 20511.5945 14405.6120 259.8841 -203684.2380 2760.0427 0.0000 0.0000 52230.4274 -109439.8477 300.1690 -161670.2751 -109068.2718 299.6190 74.4034 95.7004 759496.0837 5.6453 5.3377 PRESSURE: 4752000 -306.328 -219.959 217.629 -219.96 -354.84 85.986 217.63 85.9855 382.715 GPRESSURE: 4752000 -319.41 -202.883 206.489 -142.022 -277.838 57.9924 169.495 -32.1124 407.058 PRESSAVG: 4752000 2.33577 -84.4419 -15.8096 -84.4419 23.4449 -23.8911 -15.8096 -23.8911 7.51394 GPRESSAVG: 4752000 1.46885 -83.7341 -15.6277 -82.8209 23.9949 -21.2422 -15.6531 -25.1977 7.8152 TIMING: 4752000 CPU: 15102.2, 0.00317843/step Wall: 15102.2, 0.00317843/step, 0.218958 hours remaining, 238.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4752000 3959.4381 20653.4729 14382.8679 221.7048 -203406.9951 2482.6815 0.0000 0.0000 52003.3205 -109703.5093 298.8638 -161706.8298 -109347.0563 299.5281 -92.8173 -63.3967 761276.1874 11.0982 11.0930 PRESSURE: 4752200 -192.524 -72.093 -372.248 -72.0926 -98.9435 -92.6101 -372.248 -92.6102 -204.779 GPRESSURE: 4752200 -164.09 -60.4663 -388.866 -154.414 -85.521 -97.1134 -281.911 -47.9767 -170.707 PRESSAVG: 4752200 -3.06369 -91.154 -47.8428 -91.154 -5.8787 21.7142 -47.8428 21.7142 -7.66417 GPRESSAVG: 4752200 -2.60139 -91.8822 -47.5836 -93.3903 -5.77371 19.0483 -48.1637 21.6405 -8.37417 TIMING: 4752200 CPU: 15102.8, 0.00316611/step Wall: 15102.8, 0.00316611/step, 0.217934 hours remaining, 238.988281 MB of memory in use. ENERGY: 4752200 3958.7236 20674.6573 14406.4057 260.1196 -203320.6734 2548.0385 0.0000 0.0000 51928.5057 -109544.2230 298.4338 -161472.7287 -109196.0585 298.7736 -165.4155 -140.1058 760205.4933 -5.5355 -5.5831 LDB: ============= START OF LOAD BALANCING ============== 15115.2 LDB: ============== END OF LOAD BALANCING =============== 15115.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15115.2 LDB: ============= START OF LOAD BALANCING ============== 15115.5 LDB: Largest compute 7067 load 0.035900 is 18.3% of average load 0.195922 LDB: Average compute 0.004418 is 2.3% of average load 0.195922 LDB: TIME 15115.5 LOAD: AVG 0.195922 MAX 0.216578 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 15115.5 LOAD: AVG 0.195922 MAX 0.216578 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 15115.5 LOAD: AVG 0.195922 MAX 0.216578 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 15115.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15115.5 PRESSURE: 4752400 23.3954 -15.3502 -34.5069 -15.3497 15.3959 413.861 -34.5069 413.861 -24.4352 GPRESSURE: 4752400 52.7677 3.59171 -100.414 -59.6049 57.8568 360.249 58.3739 255.243 -4.15808 PRESSAVG: 4752400 20.2945 -79.4493 -36.6539 -79.4494 8.98796 18.4223 -36.6539 18.4222 -4.21155 GPRESSAVG: 4752400 20.056 -77.8669 -34.8743 -80.0736 8.33304 20.7673 -36.5871 18.8719 -3.24867 TIMING: 4752400 CPU: 15103.5, 0.00325285/step Wall: 15103.5, 0.00325285/step, 0.223724 hours remaining, 237.843750 MB of memory in use. ENERGY: 4752400 3998.8545 20602.5223 14459.9503 253.6317 -203541.6762 2569.6087 0.0000 0.0000 52127.8847 -109529.2240 299.5797 -161657.1087 -109170.8622 299.0353 4.7854 35.4888 760508.5938 8.3570 8.3801 PRESSURE: 4752600 136.682 -66.608 -126.722 -66.6074 -7.98634 -66.531 -126.722 -66.5325 20.5332 GPRESSURE: 4752600 90.1234 -43.0267 -80.1511 -41.4361 113.488 22.5736 -172.83 -110.481 30.4395 PRESSAVG: 4752600 -29.0128 -37.2229 -7.14197 -37.2228 44.0825 17.8611 -7.14201 17.8612 1.00503 GPRESSAVG: 4752600 -29.4445 -37.3936 -8.41761 -36.1682 44.6603 15.1217 -8.85302 17.2519 0.688979 TIMING: 4752600 CPU: 15104.1, 0.00318313/step Wall: 15104.1, 0.00318313/step, 0.218751 hours remaining, 237.843750 MB of memory in use. ENERGY: 4752600 3963.6063 20272.8739 14465.4623 255.2401 -203488.1917 2474.2130 0.0000 0.0000 52248.9503 -109807.8457 300.2754 -162056.7960 -109440.6272 299.3871 49.7428 78.0171 760911.4676 5.3582 5.3016 PRESSURE: 4752800 -115.535 -118.443 79.2747 -118.444 -44.041 -278.078 79.2752 -278.078 -14.0535 GPRESSURE: 4752800 -18.7764 -23.3414 44.9128 -52.0795 25.6411 -271.204 31.3956 -255.08 -74.5643 PRESSAVG: 4752800 26.102 -37.1114 -60.0032 -37.1113 -20.9191 29.7106 -60.0032 29.7107 -19.417 GPRESSAVG: 4752800 26.8274 -37.9477 -61.8312 -36.426 -21.2198 30.2502 -55.7821 31.4146 -20.2509 TIMING: 4752800 CPU: 15104.7, 0.00317941/step Wall: 15104.7, 0.00317941/step, 0.21832 hours remaining, 237.843750 MB of memory in use. ENERGY: 4752800 3952.7287 20454.9091 14469.7349 231.8431 -203899.9772 2739.6329 0.0000 0.0000 52010.1261 -110041.0023 298.9029 -162051.1284 -109675.6809 298.1393 -57.8766 -22.5665 760023.3967 -4.7447 -4.8811 PRESSURE: 4753000 -144.419 -111.532 14.4738 -111.532 195.452 39.7657 14.4742 39.7651 331.572 GPRESSURE: 4753000 -20.9109 -152.106 48.815 -237.931 145.615 -25.8878 82.6226 35.8239 337.21 PRESSAVG: 4753000 -25.4453 -28.0034 -14.6422 -28.0034 25.5739 25.526 -14.6423 25.526 -2.62782 GPRESSAVG: 4753000 -25.5147 -28.5274 -12.5545 -27.4549 24.9582 26.4749 -18.1517 24.3414 -1.58466 TIMING: 4753000 CPU: 15105.4, 0.00318085/step Wall: 15105.4, 0.00318085/step, 0.218241 hours remaining, 237.843750 MB of memory in use. ENERGY: 4753000 3961.7898 20506.5165 14439.5891 248.1533 -203787.9334 2737.3047 0.0000 0.0000 51859.4180 -110035.1619 298.0368 -161894.5800 -109678.9695 298.0012 127.5348 153.9712 759739.7721 -0.8331 -0.7137 PRESSURE: 4753200 209.197 129.45 -5.5007 129.45 114.183 19.5203 -5.50086 19.5195 369.123 GPRESSURE: 4753200 252.138 55.1473 10.5517 34.9099 201.09 32.1557 5.40105 45.1906 307.885 PRESSAVG: 4753200 2.44862 26.1082 -44.0552 26.1082 15.2649 32.2241 -44.0552 32.2242 2.95423 GPRESSAVG: 4753200 1.71212 27.2733 -46.0837 25.4775 15.7165 31.8362 -42.8346 34.2669 3.50507 TIMING: 4753200 CPU: 15106, 0.00319901/step Wall: 15106, 0.00319901/step, 0.21931 hours remaining, 237.843750 MB of memory in use. ENERGY: 4753200 3940.4540 20508.6714 14514.9857 249.3283 -203653.8563 2681.4867 0.0000 0.0000 51894.0906 -109864.8397 298.2361 -161758.9303 -109504.6592 298.3240 230.8345 253.7040 759943.7876 6.8892 6.9779 PRESSURE: 4753400 -355.635 68.4089 -193.047 68.4094 138.355 -206.975 -193.046 -206.974 379.478 GPRESSURE: 4753400 -305.998 186.257 -232.739 70.1395 219.958 -178.576 -245.616 -310.28 334.301 PRESSAVG: 4753400 -27.9169 6.34218 -12.0739 6.34215 28.5913 6.57798 -12.0739 6.57799 -7.64105 GPRESSAVG: 4753400 -28.6783 5.49251 -11.0811 6.40621 29.5197 6.86407 -11.4402 2.8537 -7.97135 TIMING: 4753400 CPU: 15106.7, 0.00319963/step Wall: 15106.7, 0.00319963/step, 0.219175 hours remaining, 237.843750 MB of memory in use. ENERGY: 4753400 3955.5255 20520.6013 14442.1084 257.4579 -203649.9996 2635.3104 0.0000 0.0000 51736.2453 -110102.7507 297.3289 -161838.9960 -109749.7666 298.2329 54.0659 82.7536 760786.8213 -2.3222 -2.3766 PRESSURE: 4753600 -161.947 -32.3474 195.849 -32.3476 487.574 109.433 195.849 109.433 -166.456 GPRESSURE: 4753600 -16.5049 3.27163 183.997 -40.7221 389.876 111.599 59.0506 250.715 -137.443 PRESSAVG: 4753600 16.5357 -35.8234 12.7087 -35.8234 6.6378 51.1426 12.7087 51.1426 -13.7383 GPRESSAVG: 4753600 18.6006 -36.6338 10.9667 -34.9268 5.3034 50.7032 10.9543 52.3557 -15.3001 TIMING: 4753600 CPU: 15107.3, 0.00319273/step Wall: 15107.3, 0.00319273/step, 0.218525 hours remaining, 237.843750 MB of memory in use. ENERGY: 4753600 3905.3395 20550.6466 14464.1364 260.4203 -203929.6784 2859.7549 0.0000 0.0000 51845.8841 -110043.4967 297.9590 -161889.3807 -109669.8912 297.9845 53.0569 78.6424 760834.1672 3.1451 2.8680 PRESSURE: 4753800 -153.393 -237.105 -229.786 -237.105 143.638 172.137 -229.786 172.137 98.5521 GPRESSURE: 4753800 -44.1092 -223.585 -144.713 -147.022 119.184 103.238 -100.698 29.8777 123.695 PRESSAVG: 4753800 -30.4483 -10.9318 -24.6028 -10.9318 -5.35465 33.1601 -24.6028 33.16 -7.23096 GPRESSAVG: 4753800 -31.5524 -8.23676 -22.2793 -14.0839 -4.88702 33.5775 -25.6184 35.2227 -6.64745 TIMING: 4753800 CPU: 15107.9, 0.00318637/step Wall: 15107.9, 0.00318637/step, 0.217912 hours remaining, 237.843750 MB of memory in use. ENERGY: 4753800 3984.1331 20552.9864 14457.8345 222.5181 -203511.5518 2507.5454 0.0000 0.0000 51981.9379 -109804.5964 298.7409 -161786.5343 -109456.6565 298.4205 29.5988 66.2565 760704.4673 -14.3446 -14.3623 PRESSURE: 4754000 -367.438 10.4897 100.002 10.4895 -500.498 -108.468 100.002 -108.468 -320.799 GPRESSURE: 4754000 -214.54 -18.9708 65.422 64.5109 -520.19 -31.0567 151.8 79.6198 -365.728 PRESSAVG: 4754000 34.4589 3.36935 14.9406 3.36935 -37.3382 5.76891 14.9407 5.76892 7.5227 GPRESSAVG: 4754000 34.1916 2.18299 14.3411 5.91439 -37.2485 4.35683 17.0104 3.31899 7.83596 TIMING: 4754000 CPU: 15108.6, 0.00319152/step Wall: 15108.6, 0.00319152/step, 0.218087 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4754000 3998.4307 20510.8446 14474.0255 238.6094 -203057.3400 2057.2700 0.0000 0.0000 52308.2601 -109469.8997 300.6163 -161778.1598 -109107.6257 298.9767 -396.2454 -366.8195 762153.1572 1.5478 1.5930 PRESSURE: 4754200 349.633 90.3279 -97.2902 90.3277 413.917 89.5677 -97.2906 89.5678 376.71 GPRESSURE: 4754200 396.197 145.417 -94.2429 133.732 407.698 136.976 -55.5879 232.101 402.108 PRESSAVG: 4754200 46.0599 22.7714 7.59189 22.7713 -38.3904 41.1537 7.59183 41.1537 9.34216 GPRESSAVG: 4754200 46.7968 22.8716 7.11746 22.6424 -38.008 42.2126 6.9062 42.2695 9.07051 TIMING: 4754200 CPU: 15109.2, 0.00321122/step Wall: 15109.2, 0.00321122/step, 0.219255 hours remaining, 237.843750 MB of memory in use. ENERGY: 4754200 3943.2920 20527.3378 14500.2350 237.0451 -203289.6264 2555.9267 0.0000 0.0000 52310.0947 -109215.6951 300.6268 -161525.7898 -108846.9091 299.7968 380.0868 402.0008 761621.9133 5.6706 5.9531 PRESSURE: 4754400 -372.319 93.8042 77.3364 93.8046 -205.156 -203.491 77.3366 -203.491 -473.602 GPRESSURE: 4754400 -313.839 27.8264 173.118 -59.0002 -114.121 -296.771 39.6088 -185.85 -528.487 PRESSAVG: 4754400 -48.5263 4.0036 5.25281 4.00364 18.2569 -42.6705 5.25275 -42.6705 -10.257 GPRESSAVG: 4754400 -48.7063 1.88866 5.12283 4.52603 18.7463 -44.0421 6.06234 -42.2777 -9.95566 TIMING: 4754400 CPU: 15109.8, 0.0031963/step Wall: 15109.8, 0.0031963/step, 0.218059 hours remaining, 237.843750 MB of memory in use. ENERGY: 4754400 4036.3924 20527.3304 14452.6895 273.7091 -203225.3938 2206.3094 0.0000 0.0000 52326.5567 -109402.4061 300.7214 -161728.9628 -109046.2928 299.7815 -350.3590 -318.8157 760419.0587 -13.5088 -13.3052 PRESSURE: 4754600 299.195 279.207 -70.9178 279.207 168.826 -146.216 -70.9167 -146.215 644.015 GPRESSURE: 4754600 258.021 175.289 -144.792 101.27 235.363 -171.188 -40.2674 -218.828 687.474 PRESSAVG: 4754600 55.7756 45.6465 -52.5781 45.6464 -44.621 26.3351 -52.5782 26.3352 14.999 GPRESSAVG: 4754600 56.3378 47.3673 -51.0797 45.0543 -43.3662 26.3531 -53.8177 25.8449 13.8478 TIMING: 4754600 CPU: 15110.5, 0.00319727/step Wall: 15110.5, 0.00319727/step, 0.217947 hours remaining, 237.843750 MB of memory in use. ENERGY: 4754600 3985.5291 20592.8087 14506.0262 259.5305 -203656.3766 2728.7156 0.0000 0.0000 52420.3098 -109163.4567 301.2602 -161583.7665 -108800.7395 300.1705 370.6789 393.6192 760953.1516 8.7179 8.9398 PRESSURE: 4754800 85.0062 224.414 -11.0945 224.412 214.6 -66.3027 -11.094 -66.3024 -117.524 GPRESSURE: 4754800 138.967 243.481 21.0919 66.2188 203.716 -122.924 -104.773 -117.373 -67.1881 PRESSAVG: 4754800 58.119 14.1098 22.5438 14.1098 -65.0306 -4.52778 22.5438 -4.52776 4.60696 GPRESSAVG: 4754800 57.1107 15.6472 22.142 14.3217 -65.7408 -3.35242 23.4579 -7.09415 6.88077 TIMING: 4754800 CPU: 15111.1, 0.00319954/step Wall: 15111.1, 0.00319954/step, 0.217924 hours remaining, 237.843750 MB of memory in use. ENERGY: 4754800 4009.4832 20610.7405 14419.3498 243.0676 -203659.8591 2786.5180 0.0000 0.0000 52019.0746 -109571.6253 298.9543 -161590.6999 -109212.0622 299.4572 60.6940 91.8318 762140.6415 -0.7682 -0.5831 PRESSURE: 4755000 141.128 -68.6854 1.9723 -68.685 -270.111 265.463 1.97209 265.464 -106.069 GPRESSURE: 4755000 180.289 -2.66154 -39.7388 -19.7391 -213.989 328.501 -79.2191 222 -119.657 PRESSAVG: 4755000 49.3963 63.0529 7.27831 63.0529 -13.2216 -11.8151 7.27833 -11.815 32.0707 GPRESSAVG: 4755000 51.1787 60.1764 5.79498 64.6523 -13.2382 -13.3862 9.07406 -9.91279 30.6795 TIMING: 4755000 CPU: 15111.8, 0.00319591/step Wall: 15111.8, 0.00319591/step, 0.217499 hours remaining, 237.843750 MB of memory in use. ENERGY: 4755000 4011.2978 20737.8849 14416.6484 245.7947 -203850.8636 2705.8615 0.0000 0.0000 52112.2051 -109621.1712 299.4896 -161733.3763 -109258.1487 299.6715 -78.3505 -51.1190 761596.4038 22.7485 22.8733 PRESSURE: 4755200 -43.6977 46.2416 -2.3929 46.2418 -567.969 -202.476 -2.39277 -202.476 -326.878 GPRESSURE: 4755200 -55.8748 -54.8728 -32.32 3.75972 -470.597 -197.263 137.312 -36.0368 -323.598 PRESSAVG: 4755200 17.4686 0.995071 -27.604 0.995109 19.9616 35.0206 -27.604 35.0206 -15.2614 GPRESSAVG: 4755200 17.0094 1.64113 -27.4596 -1.98606 20.3359 35.6851 -27.3125 36.0661 -15.0902 TIMING: 4755200 CPU: 15112.4, 0.00319782/step Wall: 15112.4, 0.00319782/step, 0.217452 hours remaining, 237.843750 MB of memory in use. ENERGY: 4755200 3974.9208 20628.6613 14455.4288 252.3706 -203343.7740 2489.7871 0.0000 0.0000 52097.9158 -109444.6896 299.4074 -161542.6054 -109076.3389 299.5473 -312.8485 -283.3564 762504.5637 7.3896 7.4184 PRESSURE: 4755400 5.5073 -21.9211 6.95464 -21.9211 -184.034 -239.489 6.95451 -239.488 -347.129 GPRESSURE: 4755400 42.2126 45.1674 12.0484 -88.5158 -133.359 -313.517 -115.101 -245.587 -344.258 PRESSAVG: 4755400 57.5742 42.3063 -2.07661 42.3062 -43.9856 6.15708 -2.07659 6.15711 -15.4683 GPRESSAVG: 4755400 57.4297 41.3267 -2.19601 43.0654 -44.0053 6.28622 -4.71617 5.50985 -14.8739 TIMING: 4755400 CPU: 15113, 0.00318164/step Wall: 15113, 0.00318164/step, 0.216175 hours remaining, 237.843750 MB of memory in use. ENERGY: 4755400 4036.4058 20563.1186 14460.5085 243.2385 -203275.5934 2569.1909 0.0000 0.0000 52105.4423 -109297.6889 299.4507 -161403.1313 -108946.5147 300.0475 -175.2184 -145.1348 761528.3918 -0.6266 -0.4832 PRESSURE: 4755600 -301.722 -239.443 330.034 -239.444 -3.05743 -204.185 330.034 -204.186 159.868 GPRESSURE: 4755600 -203.186 -169.089 231.141 -85.8126 1.73935 -126.319 378.568 -156.442 141.39 PRESSAVG: 4755600 27.8688 -73.2972 -10.545 -73.2972 -27.5221 43.0334 -10.5451 43.0334 -11.532 GPRESSAVG: 4755600 28.7649 -72.1327 -12.2084 -72.2546 -26.8232 44.6725 -8.77821 39.76 -12.8486 TIMING: 4755600 CPU: 15113.7, 0.0031582/step Wall: 15113.7, 0.00315821/step, 0.214407 hours remaining, 237.843750 MB of memory in use. ENERGY: 4755600 3998.4783 20778.2064 14409.2598 258.9737 -203348.9455 2584.8749 0.0000 0.0000 51981.5145 -109337.6380 298.7385 -161319.1525 -108976.6541 299.6329 -48.3038 -20.0187 762455.7541 -3.7284 -3.6356 PRESSURE: 4755800 125.586 -121.349 206.276 -121.349 -123.175 44.6586 206.277 44.6588 -450.685 GPRESSURE: 4755800 78.0847 -181.41 234.357 7.72039 -9.14997 -19.9335 166.459 114.411 -452.809 PRESSAVG: 4755800 -47.1803 -81.5725 33.7663 -81.5725 -16.3556 15.8888 33.7663 15.8887 30.664 GPRESSAVG: 4755800 -46.6815 -81.9386 36.3291 -80.8863 -18.2945 15.0951 34.0271 17.6098 31.9473 TIMING: 4755800 CPU: 15114.3, 0.00316082/step Wall: 15114.3, 0.00316082/step, 0.214409 hours remaining, 237.843750 MB of memory in use. ENERGY: 4755800 4001.9541 20533.9769 14445.5925 261.0134 -203593.4649 2777.6459 0.0000 0.0000 52301.6099 -109271.6723 300.5781 -161573.2822 -108906.1083 299.7548 -149.4247 -127.9580 760767.1746 -10.9573 -11.0096 PRESSURE: 4756000 -255.368 -45.8345 -33.3804 -45.8345 -335.215 258.908 -33.3801 258.908 33.221 GPRESSURE: 4756000 -228.578 -104.28 -51.1674 -154.983 -239.863 243.631 -30.3466 184.29 1.44488 PRESSAVG: 4756000 -31.5061 -37.3573 -26.6478 -37.3573 -23.3953 -1.84484 -26.6478 -1.8449 -8.61601 GPRESSAVG: 4756000 -32.3252 -37.4977 -26.7424 -38.4676 -22.217 -1.66425 -28.0578 -1.51412 -8.714 TIMING: 4756000 CPU: 15114.9, 0.00318738/step Wall: 15114.9, 0.00318738/step, 0.216034 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4756000 4031.5519 20546.7631 14494.8688 270.3406 -203177.8509 2383.1575 0.0000 0.0000 52127.2298 -109323.9392 299.5759 -161451.1690 -108965.8065 300.4098 -185.7874 -155.6654 760974.8589 -21.1725 -21.0854 PRESSURE: 4756200 -82.713 -74.9921 23.2086 -74.9926 85.0906 63.9548 23.2076 63.9551 52.9413 GPRESSURE: 4756200 2.9517 -79.3669 -58.9319 66.6991 41.8124 36.9455 -5.76407 66.6924 84.3522 PRESSAVG: 4756200 22.4024 -14.9833 12.5563 -14.9833 -14.5464 32.7027 12.5563 32.7026 17.2935 GPRESSAVG: 4756200 24.3697 -14.7595 11.8348 -16.4234 -15.7389 30.6821 12.4516 31.9399 16.8448 TIMING: 4756200 CPU: 15115.6, 0.00319483/step Wall: 15115.6, 0.00319483/step, 0.216361 hours remaining, 237.843750 MB of memory in use. ENERGY: 4756200 3912.0481 20664.1943 14449.6288 238.7861 -203140.1115 2595.4658 0.0000 0.0000 52011.3285 -109268.6600 298.9098 -161279.9884 -108906.0876 300.2648 18.4396 43.0388 760828.7259 8.3832 8.4918 LDB: ============= START OF LOAD BALANCING ============== 15128 LDB: ============== END OF LOAD BALANCING =============== 15128 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15128 LDB: ============= START OF LOAD BALANCING ============== 15128.3 LDB: Largest compute 7049 load 0.034733 is 17.7% of average load 0.195981 LDB: Average compute 0.004412 is 2.3% of average load 0.195981 LDB: TIME 15128.3 LOAD: AVG 0.195981 MAX 0.218038 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 15128.3 LOAD: AVG 0.195981 MAX 0.218038 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 15128.3 LOAD: AVG 0.195981 MAX 0.218038 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 15128.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15128.3 PRESSURE: 4756400 201.424 -90.2678 28.6991 -90.2681 -220.408 -89.255 28.6996 -89.2541 -125.514 GPRESSURE: 4756400 180.949 -3.81773 -0.597757 -120.339 -59.2066 -99.5532 16.6184 -116.46 -171.883 PRESSAVG: 4756400 -6.59962 -25.5285 -36.2265 -25.5286 -23.8404 -47.597 -36.2265 -47.597 -8.00691 GPRESSAVG: 4756400 -7.44876 -27.2494 -37.6041 -24.0171 -24.6279 -47.2126 -35.1132 -47.228 -6.93956 TIMING: 4756400 CPU: 15116.2, 0.0032304/step Wall: 15116.2, 0.0032304/step, 0.21859 hours remaining, 238.355469 MB of memory in use. ENERGY: 4756400 3973.1393 20528.5399 14575.5922 258.8382 -203306.3376 2736.3955 0.0000 0.0000 52167.3558 -109066.4768 299.8065 -161233.8326 -108703.6966 299.7409 -48.1660 -16.7136 761571.1966 -12.8156 -13.0054 PRESSURE: 4756600 117.386 217.408 133.52 217.409 -58.2621 364.325 133.52 364.325 107.84 GPRESSURE: 4756600 158.785 138.094 19.341 81.7415 24.1637 235.927 332.133 372.405 77.9387 PRESSAVG: 4756600 -2.04767 7.72275 -60.4773 7.72274 -28.1773 67.5128 -60.4772 67.5129 15.0528 GPRESSAVG: 4756600 -2.62494 10.0549 -59.6727 5.91006 -26.7252 67.2738 -61.0701 66.3005 14.3899 TIMING: 4756600 CPU: 15116.9, 0.00319131/step Wall: 15116.9, 0.00319131/step, 0.215768 hours remaining, 238.355469 MB of memory in use. ENERGY: 4756600 3903.5130 20573.6062 14490.7354 250.3047 -203350.4576 2749.8054 0.0000 0.0000 52161.8393 -109220.6536 299.7748 -161382.4929 -108860.4562 299.8416 55.6549 86.9623 761910.3246 -5.0574 -4.9868 PRESSURE: 4756800 -124.322 33.873 169.56 33.8729 246.995 -92.3003 169.56 -92.2998 -152.823 GPRESSURE: 4756800 -64.193 35.1107 124.012 19.6391 200.649 -106.194 232.526 -98.912 -82.4843 PRESSAVG: 4756800 42.8634 -28.391 -27.5478 -28.391 -52.6535 39.2362 -27.5479 39.2362 7.08102 GPRESSAVG: 4756800 43.431 -28.8833 -26.9411 -28.0992 -52.5255 40.3269 -27.2399 42.0671 6.59279 TIMING: 4756800 CPU: 15117.5, 0.003185/step Wall: 15117.5, 0.003185/step, 0.215164 hours remaining, 238.355469 MB of memory in use. ENERGY: 4756800 4040.5386 20624.1206 14523.2965 234.4549 -203468.4030 2636.1672 0.0000 0.0000 52087.8098 -109322.0154 299.3494 -161409.8252 -108963.1402 299.7963 -10.0500 17.9907 760996.3494 -0.9030 -0.8339 PRESSURE: 4757000 -296.228 -12.5127 288.54 -12.5135 -65.2245 99.1573 288.541 99.1574 -412.346 GPRESSURE: 4757000 -322.847 -58.7132 191.773 53.2344 7.8971 84.649 236.46 171.035 -399.547 PRESSAVG: 4757000 -30.9342 -0.859273 -38.0812 -0.859253 25.1413 21.9985 -38.0811 21.9986 -32.0819 GPRESSAVG: 4757000 -31.538 -2.44841 -37.2374 0.43814 25.0145 22.0996 -38.9132 20.8847 -31.3049 TIMING: 4757000 CPU: 15118.1, 0.00318259/step Wall: 15118.1, 0.00318259/step, 0.214825 hours remaining, 238.355469 MB of memory in use. ENERGY: 4757000 4053.4027 20634.4274 14434.2266 241.0868 -202946.1955 2253.8731 0.0000 0.0000 51988.7137 -109340.4652 298.7799 -161329.1789 -108983.0531 299.8003 -257.9329 -238.1657 762122.6889 -12.6249 -12.6095 PRESSURE: 4757200 71.7665 1.29783 -166.458 1.2979 -125.571 382.915 -166.458 382.915 -122.693 GPRESSURE: 4757200 53.4698 5.30502 -131.95 140.567 -92.7155 318.989 -93.5212 289.576 -57.4021 PRESSAVG: 4757200 7.05114 -21.508 -22.6873 -21.508 28.5789 61.7012 -22.6873 61.7012 -2.55316 GPRESSAVG: 4757200 7.20064 -19.7347 -23.954 -22.6039 28.7378 62.0815 -23.0783 62.1832 -2.68996 TIMING: 4757200 CPU: 15118.8, 0.00317455/step Wall: 15118.8, 0.00317455/step, 0.214106 hours remaining, 238.355469 MB of memory in use. ENERGY: 4757200 4006.3731 20703.8887 14460.3362 233.9467 -203422.4874 2374.2122 0.0000 0.0000 52149.5988 -109494.1316 299.7045 -161643.7304 -109122.6574 299.0893 -58.8325 -32.2159 760550.9693 11.0256 11.0828 PRESSURE: 4757400 -186.84 127.695 5.24476 127.694 -252.864 22.6547 5.24456 22.6545 96.014 GPRESSURE: 4757400 -126.422 160.458 18.456 31.0315 -235.613 68.2734 -103.632 33.5623 83.2046 PRESSAVG: 4757400 -0.892806 -50.8085 -26.8592 -50.8084 -7.93106 63.7308 -26.8592 63.7307 -2.40128 GPRESSAVG: 4757400 -0.603271 -52.9673 -25.4633 -51.3429 -8.9056 63.4862 -26.497 62.3452 -1.85949 TIMING: 4757400 CPU: 15119.4, 0.00317155/step Wall: 15119.4, 0.00317155/step, 0.213727 hours remaining, 238.355469 MB of memory in use. ENERGY: 4757400 4004.5587 20469.9604 14489.1836 251.7055 -203014.7045 2439.0219 0.0000 0.0000 52035.8033 -109324.4711 299.0505 -161360.2744 -108960.9514 299.5948 -114.5633 -92.9434 761956.5608 -3.7417 -3.7895 PRESSURE: 4757600 -32.8342 -51.4055 -247.498 -51.4054 -527.902 -193.347 -247.498 -193.347 224.358 GPRESSURE: 4757600 -48.4008 44.4038 -182.317 -21.0164 -430.421 -245.863 -71.7683 -261.504 236.75 PRESSAVG: 4757600 13.9274 1.18453 -71.6412 1.18457 -24.9065 -1.2848 -71.6412 -1.28491 3.9488 GPRESSAVG: 4757600 13.2295 2.77237 -72.0216 0.835876 -24.4451 -3.24669 -72.3713 -0.728594 3.96465 TIMING: 4757600 CPU: 15120, 0.0031764/step Wall: 15120, 0.0031764/step, 0.213878 hours remaining, 238.355469 MB of memory in use. ENERGY: 4757600 4003.9641 20571.0988 14510.4870 243.9510 -202845.4953 2141.2115 0.0000 0.0000 51982.3702 -109392.4127 298.7434 -161374.7829 -109034.3416 299.3767 -112.1262 -80.6904 760689.9364 -2.3435 -2.4170 PRESSURE: 4757800 218.245 219.606 -74.2266 219.607 213.5 -58.1569 -74.2271 -58.1582 -222.188 GPRESSURE: 4757800 191.933 145.651 -17.3224 223.996 262.91 -51.908 -67.2182 5.25359 -155.289 PRESSAVG: 4757800 70.0682 -11.0152 -9.73127 -11.0152 -89.2092 -36.4831 -9.73129 -36.4831 2.11656 GPRESSAVG: 4757800 69.7043 -11.4025 -10.3548 -8.21023 -89.2655 -35.8151 -6.51698 -35.2766 2.83207 TIMING: 4757800 CPU: 15120.7, 0.00316666/step Wall: 15120.7, 0.00316666/step, 0.213046 hours remaining, 238.355469 MB of memory in use. ENERGY: 4757800 3981.3998 20486.2142 14403.5027 248.7779 -203146.8186 2370.2958 0.0000 0.0000 52065.6240 -109591.0040 299.2219 -161656.6280 -109232.6528 299.5174 69.8524 99.8515 762225.2416 -5.6748 -5.5764 PRESSURE: 4758000 154.399 128.363 -1.15202 128.362 -53.0984 -163.938 -1.15119 -163.939 -156.736 GPRESSURE: 4758000 179.764 174.084 -41.66 -5.19923 -19.6747 -189.698 -124.918 -156.592 -130.448 PRESSAVG: 4758000 2.24478 -12.0387 -13.4729 -12.0387 -49.4672 -1.57035 -13.4729 -1.57033 7.67686 GPRESSAVG: 4758000 2.74885 -12.2403 -14.0103 -12.5112 -49.2462 0.878279 -15.7118 -3.52499 6.68668 TIMING: 4758000 CPU: 15121.3, 0.0031819/step Wall: 15121.3, 0.00318189/step, 0.213894 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4758000 4073.2564 20534.3726 14431.0734 238.8025 -203448.4878 2606.8052 0.0000 0.0000 52128.0584 -109436.1194 299.5807 -161564.1777 -109069.3419 299.5762 -18.4787 9.8805 760517.9321 -13.1819 -13.2702 PRESSURE: 4758200 137.574 -225.755 -285.281 -225.755 -126.881 93.1978 -285.281 93.1977 -51.577 GPRESSURE: 4758200 89.202 -286.614 -240.061 -249.375 -96.2465 101.934 -276.852 34.6592 49.3 PRESSAVG: 4758200 18.2961 0.444596 1.76213 0.444591 -52.2104 -18.6565 1.76217 -18.6565 7.3285 GPRESSAVG: 4758200 18.4201 0.289221 2.47514 0.577222 -52.9529 -19.917 2.22687 -18.759 7.74161 TIMING: 4758200 CPU: 15121.9, 0.00317299/step Wall: 15121.9, 0.00317299/step, 0.213119 hours remaining, 238.355469 MB of memory in use. ENERGY: 4758200 3964.9835 20480.2407 14495.7182 239.7824 -203458.6583 2716.7937 0.0000 0.0000 52279.6650 -109281.4748 300.4520 -161561.1398 -108923.9157 299.4898 -13.6279 14.0852 762144.8982 -8.8619 -8.9304 PRESSURE: 4758400 129.854 14.8773 307.507 14.8783 26.128 -124.88 307.506 -124.88 -2.82375 GPRESSURE: 4758400 140.568 -91.9031 323.481 55.341 66.9008 -132.291 111.053 115.005 38.1069 PRESSAVG: 4758400 17.2966 -25.2577 19.1562 -25.2576 -20.7943 -41.6723 19.1562 -41.6722 -13.5669 GPRESSAVG: 4758400 17.885 -24.631 18.1415 -26.5326 -19.5954 -40.933 20.3277 -41.5407 -14.6078 TIMING: 4758400 CPU: 15122.6, 0.00320389/step Wall: 15122.6, 0.00320389/step, 0.215017 hours remaining, 238.355469 MB of memory in use. ENERGY: 4758400 3930.4593 20642.8712 14450.7357 230.2405 -203557.3834 2809.9264 0.0000 0.0000 52202.6680 -109290.4824 300.0095 -161493.1504 -108938.0379 299.8010 51.0529 81.8585 760926.6728 -5.6882 -5.4394 PRESSURE: 4758600 51.3143 -135.877 -190.228 -135.877 -267.462 23.537 -190.227 23.5375 432.924 GPRESSURE: 4758600 115.333 -44.48 -195.093 -84.0665 -202.446 46.0921 -87.7666 -83.9039 379.888 PRESSAVG: 4758600 -11.0402 -5.48781 -31.7347 -5.48781 16.9859 4.01947 -31.7347 4.01966 -11.2741 GPRESSAVG: 4758600 -12.8519 -6.80508 -31.0663 -5.25793 17.0278 1.02637 -33.3393 5.47004 -9.88727 TIMING: 4758600 CPU: 15123.2, 0.00320268/step Wall: 15123.2, 0.00320268/step, 0.214757 hours remaining, 238.355469 MB of memory in use. ENERGY: 4758600 3898.2012 20563.9844 14481.0266 248.9527 -202889.4708 2418.7819 0.0000 0.0000 51936.2142 -109342.3099 298.4781 -161278.5241 -108969.9834 299.2116 72.2587 97.5915 761271.9294 -1.7762 -1.9038 PRESSURE: 4758800 330.876 12.829 -216.675 12.8291 424.548 -143.425 -216.675 -143.425 -218.362 GPRESSURE: 4758800 392.657 60.5213 -197.512 87.2111 335.583 -185.95 -187.339 -248.014 -96.9952 PRESSAVG: 4758800 -63.3755 -36.5822 -6.23511 -36.5822 48.1105 -5.29632 -6.23509 -5.29638 7.51732 GPRESSAVG: 4758800 -61.1523 -33.875 -6.71405 -36.1675 46.8812 -5.32912 -5.67593 -5.31862 6.52666 TIMING: 4758800 CPU: 15123.9, 0.00319257/step Wall: 15123.9, 0.00319257/step, 0.213902 hours remaining, 238.355469 MB of memory in use. ENERGY: 4758800 4046.9296 20572.8897 14412.1694 259.2921 -203617.1699 2816.2667 0.0000 0.0000 52142.4567 -109367.1658 299.6634 -161509.6226 -108999.1709 300.0367 179.0204 210.4151 759096.0827 -2.5825 -2.5815 PRESSURE: 4759000 -119.762 -109.636 80.7052 -109.634 282.484 -29.2589 80.7049 -29.2595 -188.85 GPRESSURE: 4759000 21.8001 -3.99872 101.019 -22.4193 319.397 84.5365 119.334 -23.1291 -282.312 PRESSAVG: 4759000 37.0296 1.83874 14.8536 1.83874 6.07049 27.7645 14.8536 27.7645 -26.5377 GPRESSAVG: 4759000 36.4093 2.286 16.2314 1.75184 5.44277 29.0767 14.4485 26.9865 -26.3796 TIMING: 4759000 CPU: 15124.5, 0.00318267/step Wall: 15124.5, 0.00318267/step, 0.213062 hours remaining, 238.355469 MB of memory in use. ENERGY: 4759000 3950.5914 20632.9644 14429.8161 228.8286 -203419.3695 2499.5046 0.0000 0.0000 52260.3047 -109417.3597 300.3407 -161677.6644 -109057.9130 299.7198 -8.7094 19.6282 760186.4280 5.5208 5.1575 PRESSURE: 4759200 260.69 164.455 232.536 164.456 158.542 -0.811671 232.536 -0.811024 53.8441 GPRESSURE: 4759200 280.302 166.113 233.937 133.526 182.942 58.571 255.671 -48.3493 101.163 PRESSAVG: 4759200 15.7165 -2.21442 4.92622 -2.21441 6.48497 4.16799 4.92627 4.168 15.1274 GPRESSAVG: 4759200 16.1332 -3.58724 4.12444 -2.83627 6.33446 3.97569 7.28495 2.02603 14.662 TIMING: 4759200 CPU: 15125.1, 0.00316668/step Wall: 15125.1, 0.00316668/step, 0.211816 hours remaining, 238.355469 MB of memory in use. ENERGY: 4759200 3892.9560 20546.2841 14452.3169 256.4733 -203329.4350 2699.8693 0.0000 0.0000 52082.9084 -109398.6269 299.3212 -161481.5353 -109036.7195 299.5688 157.6919 188.1359 759605.9631 12.4429 12.3765 PRESSURE: 4759400 -408.144 -133.345 -56.0466 -133.345 -277.278 204.642 -56.0467 204.642 116.786 GPRESSURE: 4759400 -276.522 -256.534 -58.0409 -88.9625 -218.919 317.12 -27.7488 258.124 8.05037 PRESSAVG: 4759400 22.0939 -20.963 -4.05767 -20.9631 -64.7215 -6.26512 -4.05771 -6.26509 20.6316 GPRESSAVG: 4759400 20.0846 -21.8765 -2.94127 -19.8416 -64.7867 -6.2869 -4.31503 -3.8414 21.7017 TIMING: 4759400 CPU: 15125.8, 0.00317878/step Wall: 15125.8, 0.00317878/step, 0.212448 hours remaining, 238.355469 MB of memory in use. ENERGY: 4759400 3991.5981 20634.7158 14442.1673 251.7175 -203244.1335 2594.7958 0.0000 0.0000 52107.1116 -109222.0274 299.4603 -161329.1390 -108854.1376 299.3605 -189.5454 -162.4635 760602.6299 -7.3320 -7.6668 PRESSURE: 4759600 -100.005 12.7503 -124.462 12.7503 0.56244 -90.9513 -124.463 -90.9516 -42.0582 GPRESSURE: 4759600 -47.026 -4.9719 -100.864 -47.2795 -34.5286 -125.468 -18.2116 17.0226 17.0539 PRESSAVG: 4759600 17.4835 -41.2966 38.1393 -41.2966 -36.8772 31.6095 38.1393 31.6095 21.153 GPRESSAVG: 4759600 19.0096 -41.4351 37.823 -41.1131 -37.1583 32.2101 36.5835 29.7561 20.264 TIMING: 4759600 CPU: 15126.4, 0.00317491/step Wall: 15126.4, 0.00317491/step, 0.212013 hours remaining, 238.355469 MB of memory in use. ENERGY: 4759600 4056.2388 20629.7508 14453.3295 240.2381 -203141.1671 2405.6637 0.0000 0.0000 52052.0766 -109303.8696 299.1440 -161355.9461 -108945.3341 299.8981 -47.1668 -21.5002 761925.2912 0.5864 0.7051 PRESSURE: 4759800 -396.81 78.2266 99.7285 78.2262 22.071 -129.655 99.7291 -129.655 347.744 GPRESSURE: 4759800 -195.137 77.5943 150.991 163.141 -65.1145 -156.486 190.26 -5.33543 310.012 PRESSAVG: 4759800 85.5872 -14.6668 5.51561 -14.6668 -48.3614 11.6276 5.51574 11.6276 -14.2895 GPRESSAVG: 4759800 85.5916 -13.1556 7.20198 -14.7891 -47.9022 8.94097 5.36578 13.5288 -14.7245 TIMING: 4759800 CPU: 15127, 0.00317412/step Wall: 15127, 0.00317412/step, 0.211784 hours remaining, 238.355469 MB of memory in use. ENERGY: 4759800 3910.5641 20437.6122 14457.1488 255.9305 -203603.2823 2753.9042 0.0000 0.0000 52356.8400 -109431.2824 300.8955 -161788.1224 -109063.7408 299.2933 -8.9982 16.5867 761526.6796 7.6454 7.6549 PRESSURE: 4760000 37.7048 -98.5613 -94.6441 -98.5614 137.126 -75.7661 -94.6435 -75.7671 -292.088 GPRESSURE: 4760000 58.5313 -147.917 -73.4021 -110.94 229.589 -63.7646 -124.184 -196.718 -304.494 PRESSAVG: 4760000 -2.54266 -2.02846 -1.25637 -2.02855 -55.8188 21.2367 -1.25634 21.2366 -21.8266 GPRESSAVG: 4760000 -2.49009 -3.41896 -2.90061 -3.80867 -56.1474 23.5861 -1.38679 19.5009 -21.9004 TIMING: 4760000 CPU: 15127.7, 0.00315551/step Wall: 15127.7, 0.00315551/step, 0.210367 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4760000 3999.0583 20335.8871 14505.6421 232.7394 -203424.6058 2805.9382 0.0000 0.0000 52230.1371 -109315.2036 300.1673 -161545.3407 -108953.6203 299.4896 -39.0858 -5.4579 763729.3469 -26.7294 -26.8460 PRESSURE: 4760200 -7.93739 -56.8065 199.118 -56.8072 156.517 139.884 199.118 139.884 187.6 GPRESSURE: 4760200 31.1831 -129.236 172.584 -94.2461 241.75 122.577 145.575 172.431 149.643 PRESSAVG: 4760200 57.5919 -27.4688 15.7169 -27.4688 -44.9734 71.6648 15.7169 71.6648 -8.19563 GPRESSAVG: 4760200 56.7069 -25.7158 14.9118 -28.6373 -44.3497 70.489 14.337 74.6843 -7.75863 TIMING: 4760200 CPU: 15128.3, 0.00317552/step Wall: 15128.3, 0.00317552/step, 0.211525 hours remaining, 238.355469 MB of memory in use. ENERGY: 4760200 3977.2833 20627.8061 14461.1187 236.7917 -203769.3659 2790.9207 0.0000 0.0000 52232.4285 -109443.0169 300.1805 -161675.4454 -109075.3209 299.3517 112.0602 140.8586 760835.3078 1.4743 1.5329 LDB: ============= START OF LOAD BALANCING ============== 15140.7 LDB: ============== END OF LOAD BALANCING =============== 15140.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15140.7 LDB: ============= START OF LOAD BALANCING ============== 15141 LDB: Largest compute 7073 load 0.034456 is 17.6% of average load 0.196102 LDB: Average compute 0.004401 is 2.2% of average load 0.196102 LDB: TIME 15141 LOAD: AVG 0.196102 MAX 0.217664 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 15141 LOAD: AVG 0.196102 MAX 0.217664 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 15141 LOAD: AVG 0.196102 MAX 0.217664 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 15141 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15141 PRESSURE: 4760400 -52.0419 0.704767 -89.0562 0.704523 296.154 -132.393 -89.0556 -132.393 160.474 GPRESSURE: 4760400 -137.046 25.8187 -108.773 97.4934 386.319 -183.169 36.8221 -167.322 256.94 PRESSAVG: 4760400 32.6602 -11.1971 -15.0512 -11.1972 -19.6052 29.9207 -15.0512 29.9207 2.98296 GPRESSAVG: 4760400 33.8011 -10.5903 -13.9301 -8.45943 -19.5123 30.7827 -11.9703 26.5031 2.01097 TIMING: 4760400 CPU: 15129, 0.00325298/step Wall: 15129, 0.00325298/step, 0.216504 hours remaining, 238.613281 MB of memory in use. ENERGY: 4760400 3904.5506 20508.6469 14430.2865 244.0627 -203627.4697 2674.1428 0.0000 0.0000 52291.3373 -109574.4428 300.5190 -161865.7801 -109210.5249 299.0706 134.8619 168.7375 761320.4133 5.3460 5.4332 PRESSURE: 4760600 102.417 185.641 -186.792 185.641 -83.4181 288.483 -186.792 288.483 -94.5665 GPRESSURE: 4760600 113.55 194.992 -216.663 140.238 -47.0806 341.381 -309.376 115.224 -40.9318 PRESSAVG: 4760600 20.9406 7.50133 -30.649 7.50126 -31.6038 12.8687 -30.6489 12.8687 5.14647 GPRESSAVG: 4760600 19.3951 6.05464 -30.6219 5.91596 -31.9815 12.1851 -32.8732 11.6814 6.35217 TIMING: 4760600 CPU: 15129.6, 0.00317285/step Wall: 15129.6, 0.00317285/step, 0.210995 hours remaining, 238.613281 MB of memory in use. ENERGY: 4760600 4014.2394 20592.1924 14501.4261 263.2999 -203404.9045 2556.4291 0.0000 0.0000 52087.8382 -109389.4795 299.3495 -161477.3177 -109026.8537 299.3295 -25.1892 8.5127 761563.3598 -1.8389 -2.0781 PRESSURE: 4760800 490.741 -2.93625 -106.161 -2.93593 63.8739 -75.6111 -106.162 -75.6105 -205.706 GPRESSURE: 4760800 528.69 -63.2796 -187.606 -46.5362 36.5068 -78.4128 -57.0014 91.2591 -157.065 PRESSAVG: 4760800 61.6607 19.3742 -57.9769 19.3743 -70.3019 37.1589 -57.9769 37.1589 22.991 GPRESSAVG: 4760800 61.9971 19.2216 -59.0065 19.208 -71.4002 35.7538 -58.0606 40.416 23.6431 TIMING: 4760800 CPU: 15130.2, 0.00317616/step Wall: 15130.2, 0.00317616/step, 0.211038 hours remaining, 238.613281 MB of memory in use. ENERGY: 4760800 4020.9522 20575.3414 14509.8115 238.3627 -203625.9594 2804.1255 0.0000 0.0000 52022.5506 -109454.8153 298.9743 -161477.3660 -109091.2876 299.7984 116.3030 136.0442 761339.2948 4.7833 4.7467 PRESSURE: 4761000 44.1191 -43.7618 -21.0616 -43.7619 -476.705 -38.6027 -21.0616 -38.6037 -309.824 GPRESSURE: 4761000 3.52603 67.1376 -69.2381 -16.6882 -352.898 61.5853 3.51583 -19.5029 -293.917 PRESSAVG: 4761000 52.2894 -1.62483 -9.85864 -1.62483 -50.9664 13.0878 -9.85864 13.0877 -22.4711 GPRESSAVG: 4761000 51.7681 -1.03974 -10.1711 -1.20557 -50.7705 14.926 -7.67739 12.776 -22.4579 TIMING: 4761000 CPU: 15130.9, 0.00315777/step Wall: 15130.9, 0.00315777/step, 0.209641 hours remaining, 238.613281 MB of memory in use. ENERGY: 4761000 4010.7059 20637.0344 14468.8239 245.5712 -203372.0807 2389.2698 0.0000 0.0000 51892.5230 -109728.1525 298.2270 -161620.6756 -109368.9465 299.0385 -247.4701 -214.4299 762134.0467 -7.0494 -7.1534 PRESSURE: 4761200 -90.1498 -190.977 -196.611 -190.977 26.8956 -386.62 -196.612 -386.62 227.542 GPRESSURE: 4761200 19.7986 -116.255 -67.0034 -65.7891 -23.7831 -378.569 -250.306 -239.592 268.884 PRESSAVG: 4761200 54.1722 -25.7888 -41.8915 -25.7887 -23.0445 25.8787 -41.8916 25.8787 17.0468 GPRESSAVG: 4761200 54.4349 -26.7544 -40.2241 -24.4736 -21.9192 27.1331 -42.2993 23.7891 16.1229 TIMING: 4761200 CPU: 15131.5, 0.00317245/step Wall: 15131.5, 0.00317245/step, 0.210439 hours remaining, 238.613281 MB of memory in use. ENERGY: 4761200 4043.6075 20393.1428 14449.4737 236.6349 -203626.9079 2663.4874 0.0000 0.0000 52087.9785 -109752.5832 299.3503 -161840.5618 -109386.8030 299.2384 54.7626 88.2998 760239.3016 16.0582 16.2129 PRESSURE: 4761400 -418.232 48.3706 -2.95458 48.3704 -309.339 -193.691 -2.95427 -193.69 88.4253 GPRESSURE: 4761400 -310.363 -142.106 26.3757 -6.9505 -241.48 -270.474 -56.3671 -54.6551 3.82083 PRESSAVG: 4761400 -8.29337 -25.6775 -20.1635 -25.6775 -44.3888 18.4467 -20.1635 18.4467 -21.8185 GPRESSAVG: 4761400 -8.81223 -27.2696 -21.4978 -27.6027 -44.71 16.6029 -21.5698 19.4245 -21.4607 TIMING: 4761400 CPU: 15132.1, 0.00318637/step Wall: 15132.1, 0.00318637/step, 0.211186 hours remaining, 238.613281 MB of memory in use. ENERGY: 4761400 4005.3245 20608.0475 14405.4209 243.2295 -203167.1739 2349.2891 0.0000 0.0000 51461.7653 -110094.0971 295.7515 -161555.8623 -109733.7608 297.9049 -213.0484 -182.6741 761250.9533 -24.8336 -24.9943 PRESSURE: 4761600 299.086 -106.982 -72.0422 -106.984 -86.6024 -123.995 -72.0424 -123.994 -86.052 GPRESSURE: 4761600 287.569 -46.1409 -100.943 -24.9192 -0.132883 -195.412 -24.8955 -170.05 -93.06 PRESSAVG: 4761600 15.2027 -12.787 32.7645 -12.7871 -46.6367 -16.6852 32.7645 -16.6853 -32.3003 GPRESSAVG: 4761600 15.7272 -9.68062 34.0075 -13.4318 -47.7313 -14.4356 33.4952 -16.9336 -31.8911 TIMING: 4761600 CPU: 15132.8, 0.0031733/step Wall: 15132.8, 0.0031733/step, 0.210143 hours remaining, 238.613281 MB of memory in use. ENERGY: 4761600 4010.9509 20463.4272 14371.9892 228.9973 -204003.1540 2739.4092 0.0000 0.0000 51988.5637 -110199.8165 298.7790 -162188.3802 -109837.2108 297.7848 42.1439 64.7919 760264.5082 -21.2448 -21.2984 PRESSURE: 4761800 71.0759 143.46 59.9937 143.46 -134.756 109.5 59.9933 109.5 -265.337 GPRESSURE: 4761800 -2.90557 113.54 23.7052 133.489 -77.7258 152.699 57.2479 169.785 -163.584 PRESSAVG: 4761800 14.2391 7.00529 1.35279 7.00528 18.7753 32.4987 1.35273 32.4987 -12.1826 GPRESSAVG: 4761800 13.4504 5.98135 0.76516 8.5843 19.8275 32.2298 2.85202 33.1251 -12.4432 TIMING: 4761800 CPU: 15133.4, 0.00319127/step Wall: 15133.4, 0.00319127/step, 0.211156 hours remaining, 238.613281 MB of memory in use. ENERGY: 4761800 4019.2647 20445.4243 14450.8655 238.3114 -204180.1241 2844.1431 0.0000 0.0000 51825.8476 -110356.2676 297.8439 -162182.1152 -109998.3140 297.6296 -109.6725 -81.4052 760873.0503 6.9439 6.9449 PRESSURE: 4762000 -46.5444 26.9621 -136.125 26.962 117.022 -95.6973 -136.126 -95.6986 -69.6245 GPRESSURE: 4762000 51.5344 -58.9068 -153.253 18.0606 99.0329 -176.885 -78.0437 31.9493 -78.088 PRESSAVG: 4762000 25.9103 -4.55852 12.8542 -4.55845 -15.7033 50.5573 12.8542 50.5573 31.0746 GPRESSAVG: 4762000 26.147 -5.41199 14.257 -4.59885 -15.7398 48.8507 9.56368 48.7577 31.3905 TIMING: 4762000 CPU: 15134, 0.00318446/step Wall: 15134, 0.00318446/step, 0.210528 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4762000 3943.9641 20423.1714 14463.5484 238.4779 -204059.7609 2571.6106 0.0000 0.0000 51910.1304 -110508.8581 298.3282 -162418.9885 -110145.7675 297.5025 0.2843 24.1597 759702.4507 13.7605 13.9326 PRESSURE: 4762200 -102.102 30.1041 -24.7294 30.1046 -188.253 83.9053 -24.73 83.9062 -107.162 GPRESSURE: 4762200 -105.766 59.3735 -90.651 -1.99537 -97.8691 119.03 -36.1608 94.6276 -94.1632 PRESSAVG: 4762200 23.8723 -8.21338 -17.9314 -8.21336 9.74096 64.1202 -17.9314 64.1201 7.41584 GPRESSAVG: 4762200 23.6842 -7.34542 -18.0686 -6.86202 9.87095 64.6399 -16.9702 66.0132 7.3919 TIMING: 4762200 CPU: 15134.7, 0.00318068/step Wall: 15134.7, 0.00318068/step, 0.210101 hours remaining, 238.613281 MB of memory in use. ENERGY: 4762200 3964.2168 20515.4268 14436.5267 245.4568 -203902.0871 2512.9113 0.0000 0.0000 52001.2147 -110226.3341 298.8517 -162227.5488 -109867.0693 297.8493 -132.5055 -99.2662 761252.0557 13.6764 13.6490 PRESSURE: 4762400 -71.8677 -105.058 -57.0267 -105.058 154.994 -123.226 -57.0269 -123.226 -104.252 GPRESSURE: 4762400 -0.793941 -30.3531 -3.81809 -116.264 168.18 -72.358 -68.6385 77.5164 -109.248 PRESSAVG: 4762400 2.56728 -40.4203 -64.6041 -40.4203 -29.2927 74.8938 -64.6042 74.8938 14.0843 GPRESSAVG: 4762400 3.41415 -41.7901 -66.3666 -40.1733 -30.5925 74.6865 -64.8322 73.9178 14.7271 TIMING: 4762400 CPU: 15135.3, 0.00319871/step Wall: 15135.3, 0.00319871/step, 0.211115 hours remaining, 238.613281 MB of memory in use. ENERGY: 4762400 4024.1247 20522.3292 14443.8533 258.8748 -203703.6768 2753.9531 0.0000 0.0000 51823.6804 -109876.8612 297.8314 -161700.5417 -109522.5768 298.6817 -7.0417 19.3793 761971.0139 -4.2137 -4.1504 PRESSURE: 4762600 -245.456 118.005 99.9472 118.006 -216.745 183.017 99.9465 183.016 -17.6794 GPRESSURE: 4762600 -194.242 97.6611 45.9328 167.146 -222.773 267.622 54.8575 309.187 23.7838 PRESSAVG: 4762600 26.727 24.8348 -51.3209 24.8349 -49.7007 -3.09949 -51.3209 -3.09958 12.2595 GPRESSAVG: 4762600 27.2581 23.753 -50.6978 24.6058 -50.3542 -3.47952 -52.1555 -1.782 12.5456 TIMING: 4762600 CPU: 15136, 0.00318172/step Wall: 15136, 0.00318172/step, 0.209817 hours remaining, 238.613281 MB of memory in use. ENERGY: 4762600 3951.5173 20621.1018 14462.9264 241.7409 -203543.1537 2322.9656 0.0000 0.0000 52292.9746 -109649.9271 300.5284 -161942.9017 -109282.8477 299.4176 -159.9602 -131.0774 760641.2218 -3.5714 -3.5168 PRESSURE: 4762800 133.421 -57.7237 1.33074 -57.7242 -593.242 -21.5944 1.33141 -21.5939 -76.4892 GPRESSURE: 4762800 117.253 64.5137 77.2919 -91.3803 -493.139 -37.0311 -57.2917 33.8907 -91.2472 PRESSAVG: 4762800 -13.7991 8.54298 37.3353 8.54301 -43.8074 16.4025 37.3353 16.4025 6.16907 GPRESSAVG: 4762800 -14.1351 10.6398 37.6026 7.36894 -41.8109 16.6286 38.9106 15.4092 5.49254 TIMING: 4762800 CPU: 15136.6, 0.00316707/step Wall: 15136.6, 0.00316707/step, 0.208675 hours remaining, 238.613281 MB of memory in use. ENERGY: 4762800 4010.7402 20492.7972 14454.4084 232.7611 -203825.6217 2457.0808 0.0000 0.0000 52464.1190 -109713.7151 301.5120 -162177.8341 -109340.1632 299.1923 -178.7700 -155.7112 760274.9721 -17.1458 -16.8178 PRESSURE: 4763000 190.49 56.5494 116.816 56.5486 19.5892 2.20389 116.816 2.20344 -247.731 GPRESSURE: 4763000 179.964 40.8518 112.959 109.544 100.601 -96.0497 64.1093 98.9236 -253.043 PRESSAVG: 4763000 -36.9223 -16.0795 16.2462 -16.0795 21.4678 -9.43825 16.2461 -9.43828 1.82483 GPRESSAVG: 4763000 -38.0934 -16.3359 17.4615 -16.6277 20.9551 -8.47048 14.3458 -7.90163 3.23013 TIMING: 4763000 CPU: 15137.2, 0.00318312/step Wall: 15137.2, 0.00318312/step, 0.209556 hours remaining, 238.613281 MB of memory in use. ENERGY: 4763000 3990.4662 20500.3449 14588.9824 251.9182 -203466.6958 2205.7234 0.0000 0.0000 52408.7126 -109520.5481 301.1936 -161929.2607 -109150.3924 299.8385 -12.5506 9.1739 759191.1715 -4.5432 -4.6360 PRESSURE: 4763200 230.366 -66.3347 -114.418 -66.336 -267.662 155.26 -114.418 155.26 225.585 GPRESSURE: 4763200 196.511 -62.6156 -78.8956 39.7633 -114.446 143.537 11.4652 154.096 203.48 PRESSAVG: 4763200 78.1516 -59.469 -23.0129 -59.469 -63.8316 34.8077 -23.0129 34.8078 1.84148 GPRESSAVG: 4763200 78.768 -58.7372 -24.5151 -57.9243 -63.7746 33.257 -21.2813 34.6268 1.4297 TIMING: 4763200 CPU: 15137.9, 0.00317434/step Wall: 15137.9, 0.00317434/step, 0.208801 hours remaining, 238.613281 MB of memory in use. ENERGY: 4763200 3995.8577 20622.4148 14483.5490 229.0962 -203390.2866 2521.6558 0.0000 0.0000 52016.4724 -109521.2407 298.9394 -161537.7131 -109159.0796 299.8129 62.7626 95.1818 760503.8132 5.3872 5.4744 PRESSURE: 4763400 -235.493 -76.2467 -55.5868 -76.2463 -134.485 -54.2963 -55.5872 -54.2958 -519.276 GPRESSURE: 4763400 -164.858 -109.254 -100.758 57.3229 -82.9712 -107.778 18.8714 -93.3631 -529.723 PRESSAVG: 4763400 -38.7702 7.93784 6.14701 7.93781 2.14735 47.7364 6.14702 47.7364 -19.4378 GPRESSAVG: 4763400 -37.6855 8.66625 5.41982 6.81651 1.4451 49.5785 8.23226 46.5643 -20.1076 TIMING: 4763400 CPU: 15138.5, 0.00318616/step Wall: 15138.5, 0.00318616/step, 0.209402 hours remaining, 238.613281 MB of memory in use. ENERGY: 4763400 4030.3882 20616.5844 14427.7015 266.9298 -203358.1753 2390.6856 0.0000 0.0000 52146.1996 -109479.6861 299.6849 -161625.8857 -109108.2176 299.7108 -296.4179 -259.1840 761846.5327 -18.6869 -18.7827 PRESSURE: 4763600 197.984 98.1445 15.116 98.1451 -17.7371 76.1583 15.1164 76.1574 201.517 GPRESSURE: 4763600 272.163 103.02 -19.2478 -25.2038 -26.1717 62.9531 -107.323 -47.6067 213.862 PRESSAVG: 4763600 47.0966 11.856 13.2267 11.856 -65.0682 7.77125 13.2268 7.77118 16.1937 GPRESSAVG: 4763600 46.6813 11.057 14.6815 11.4144 -64.4773 6.8692 11.1536 8.96335 16.1483 TIMING: 4763600 CPU: 15139.1, 0.00322485/step Wall: 15139.1, 0.00322485/step, 0.211765 hours remaining, 238.613281 MB of memory in use. ENERGY: 4763600 4006.9842 20724.3452 14420.9319 261.7472 -203757.1825 2689.6481 0.0000 0.0000 52175.1310 -109478.3949 299.8512 -161653.5259 -109124.4537 299.5531 127.2544 153.2848 760684.5693 -0.5927 -0.5492 PRESSURE: 4763800 -67.2802 88.5582 6.35099 88.5578 -54.4711 178.495 6.35073 178.495 59.332 GPRESSURE: 4763800 -102.928 68.2958 30.2563 23.0586 -34.6722 170.363 45.5831 186.202 153.938 PRESSAVG: 4763800 38.5186 -3.34128 -14.5147 -3.34127 -57.6493 35.2123 -14.5148 35.2123 3.60865 GPRESSAVG: 4763800 38.7032 -4.46925 -15.8194 -3.77174 -58.2915 36.465 -15.365 32.3743 3.67253 TIMING: 4763800 CPU: 15139.8, 0.00320345/step Wall: 15139.8, 0.00320345/step, 0.210182 hours remaining, 238.613281 MB of memory in use. ENERGY: 4763800 3997.4101 20550.4023 14464.6704 210.8125 -203687.6330 2753.9458 0.0000 0.0000 52247.6136 -109462.7783 300.2678 -161710.3919 -109104.9674 299.7253 -20.8064 5.4462 760113.6055 -5.1740 -5.3053 PRESSURE: 4764000 239.578 22.9024 -72.9943 22.9015 8.62268 -111.603 -72.9948 -111.603 8.17028 GPRESSURE: 4764000 227.892 28.4609 11.2277 49.0501 -0.837349 -72.8756 -103.223 -59.398 122.086 PRESSAVG: 4764000 57.8197 25.1906 -35.7242 25.1906 -15.9145 22.6365 -35.7241 22.6365 0.765275 GPRESSAVG: 4764000 58.0512 27.0191 -35.5117 27.5697 -16.4985 21.2671 -33.4439 24.2609 1.26609 TIMING: 4764000 CPU: 15140.4, 0.00319724/step Wall: 15140.4, 0.00319724/step, 0.209597 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4764000 4024.6015 20535.9120 14456.8104 255.7518 -203595.2219 2707.6758 0.0000 0.0000 52271.2115 -109343.2589 300.4034 -161614.4704 -108988.1088 299.7268 85.4570 116.3800 760033.4941 14.2235 14.2729 PRESSURE: 4764200 -329.855 94.5671 -13.7403 94.5657 -60.7086 93.1834 -13.7399 93.184 -192.966 GPRESSURE: 4764200 -275.077 -17.7863 -8.51132 -18.9198 9.05997 87.2509 -117.708 117.344 -223.138 PRESSAVG: 4764200 61.8138 -7.45326 -62.2409 -7.45328 -95.7732 11.3 -62.2409 11.2999 9.39933 GPRESSAVG: 4764200 62.1864 -8.49156 -61.9651 -10.8639 -95.1854 11.4615 -64.2476 10.7496 8.47276 TIMING: 4764200 CPU: 15141.1, 0.00318634/step Wall: 15141.1, 0.00318634/step, 0.208705 hours remaining, 238.613281 MB of memory in use. ENERGY: 4764200 4026.3559 20658.9646 14437.7180 268.6241 -203294.9475 2300.7498 0.0000 0.0000 52233.1308 -109369.4042 300.1845 -161602.5350 -109001.2351 299.9160 -194.5097 -163.0516 760463.3425 -8.1867 -8.1754 LDB: ============= START OF LOAD BALANCING ============== 15153.5 LDB: ============== END OF LOAD BALANCING =============== 15153.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15153.5 LDB: ============= START OF LOAD BALANCING ============== 15153.8 LDB: Largest compute 7048 load 0.035411 is 18.1% of average load 0.195974 LDB: Average compute 0.004404 is 2.2% of average load 0.195974 LDB: TIME 15153.8 LOAD: AVG 0.195974 MAX 0.218773 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 15153.8 LOAD: AVG 0.195974 MAX 0.218773 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.996 MB LDB: TIME 15153.8 LOAD: AVG 0.195974 MAX 0.218773 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.996 MB LDB: ============== END OF LOAD BALANCING =============== 15153.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15153.8 PRESSURE: 4764400 -80.813 92.4683 277.98 92.4691 -210.173 -117.46 277.979 -117.46 66.7589 GPRESSURE: 4764400 -47.9072 63.0674 238.86 -26.8857 -181.123 -136.597 251.34 -127.305 68.6272 PRESSAVG: 4764400 11.7127 -9.5265 38.5389 -9.52651 -1.70723 28.6878 38.5389 28.6877 6.54477 GPRESSAVG: 4764400 11.1091 -9.048 38.1567 -8.27888 -1.86357 28.9722 37.2325 29.4094 6.95414 TIMING: 4764400 CPU: 15141.7, 0.00324249/step Wall: 15141.7, 0.00324249/step, 0.212203 hours remaining, 238.410156 MB of memory in use. ENERGY: 4764400 4012.6193 20686.7866 14473.1021 256.5173 -203442.0093 2674.9929 0.0000 0.0000 52080.1301 -109257.8609 299.3052 -161337.9911 -108903.6582 299.9846 -74.7423 -53.4677 760740.0430 5.5167 5.3999 PRESSURE: 4764600 -269.021 33.6896 140.257 33.6901 -301.086 139.874 140.256 139.874 -18.173 GPRESSURE: 4764600 -260.604 88.3659 117.163 -14.0899 -231.156 184.261 133.691 133.875 -8.81834 PRESSAVG: 4764600 50.1583 15.8288 19.7996 15.8287 -42.9924 -0.588937 19.7996 -0.589019 19.5576 GPRESSAVG: 4764600 49.1073 15.1862 20.8348 17.6112 -42.9669 -0.687002 20.9249 -1.62871 20.373 TIMING: 4764600 CPU: 15142.4, 0.00321968/step Wall: 15142.4, 0.00321968/step, 0.210531 hours remaining, 238.410156 MB of memory in use. ENERGY: 4764600 4103.8030 20635.0769 14492.7989 239.5769 -202978.7439 2232.1553 0.0000 0.0000 52146.9056 -109128.4272 299.6890 -161275.3328 -108762.1472 299.8185 -196.0932 -166.8593 761922.8536 8.9078 8.8378 PRESSURE: 4764800 -543.483 -87.0903 -173.802 -87.0895 -632.921 -207.252 -173.802 -207.252 -390.647 GPRESSURE: 4764800 -475.461 -94.6975 -217.251 -95.9629 -588.224 -173.535 -78.4965 -171.593 -417.062 PRESSAVG: 4764800 4.87311 -17.703 29.3301 -17.703 3.69813 24.6756 29.3301 24.6755 -5.62151 GPRESSAVG: 4764800 5.68279 -17.252 29.816 -19.0474 3.83581 24.7101 29.9323 25.8248 -6.62935 TIMING: 4764800 CPU: 15143, 0.00321946/step Wall: 15143, 0.00321946/step, 0.210338 hours remaining, 238.410156 MB of memory in use. ENERGY: 4764800 4081.4812 20587.8040 14487.3978 244.4726 -202808.5783 2133.6513 0.0000 0.0000 52208.3103 -109065.4610 300.0419 -161273.7713 -108712.5796 299.8522 -522.3504 -493.5823 761523.1043 0.9832 0.9631 PRESSURE: 4765000 -100.789 146.456 30.7661 146.455 -441.18 32.3113 30.7665 32.3116 -77.9906 GPRESSURE: 4765000 -70.9578 269.302 113.975 145.271 -405.433 8.86034 4.20816 34.9495 -56.7077 PRESSAVG: 4765000 43.4407 -28.5462 5.03751 -28.5462 -47.9965 -48.2251 5.03752 -48.2251 0.3478 GPRESSAVG: 4765000 43.7221 -30.523 5.02817 -28.4219 -48.3941 -47.58 3.54381 -48.827 0.634097 TIMING: 4765000 CPU: 15143.6, 0.00319802/step Wall: 15143.6, 0.00319802/step, 0.20876 hours remaining, 238.410156 MB of memory in use. ENERGY: 4765000 4039.4166 20602.0222 14442.9173 257.0176 -202484.4600 2111.3543 0.0000 0.0000 52255.4076 -108776.3244 300.3125 -161031.7320 -108405.5767 300.4746 -206.6531 -177.6996 761838.6942 -1.4027 -1.3460 PRESSURE: 4765200 -254.508 12.0746 -4.03961 12.0741 -208.169 -152.223 -4.03966 -152.223 -6.52849 GPRESSURE: 4765200 -213.035 -17.6308 55.1333 -1.572 -216.319 -77.6192 -30.8436 -2.89046 52.8503 PRESSAVG: 4765200 58.3654 39.3518 -24.1355 39.3518 -87.7877 -39.0461 -24.1355 -39.0461 -23.5005 GPRESSAVG: 4765200 57.5545 42.1548 -23.7936 36.9839 -86.9787 -40.5867 -25.0657 -38.1304 -22.8205 TIMING: 4765200 CPU: 15144.3, 0.00319185/step Wall: 15144.3, 0.00319185/step, 0.208179 hours remaining, 238.410156 MB of memory in use. ENERGY: 4765200 4078.2587 20660.8730 14387.2113 237.0621 -202420.8570 2186.6564 0.0000 0.0000 51973.7535 -108897.0419 298.6939 -160870.7955 -108539.1599 300.4344 -156.4019 -125.5013 763266.7098 -17.6409 -17.4149 PRESSURE: 4765400 149.033 122.763 -244.907 122.762 287.261 -114.037 -244.907 -114.037 338.781 GPRESSURE: 4765400 195.94 -4.7023 -181.582 28.7901 300.852 -53.177 -230.172 -182.021 351.255 PRESSAVG: 4765400 -22.5292 -57.763 -66.4235 -57.763 -10.6349 -14.5219 -66.4236 -14.5219 -5.35406 GPRESSAVG: 4765400 -22.6441 -58.6651 -67.4022 -55.7563 -9.2 -14.4461 -64.6828 -14.6377 -6.55965 TIMING: 4765400 CPU: 15144.9, 0.00322317/step Wall: 15144.9, 0.00322317/step, 0.210043 hours remaining, 238.410156 MB of memory in use. ENERGY: 4765400 3939.3768 20585.6009 14454.4203 236.3269 -203354.0933 2793.3052 0.0000 0.0000 52330.1847 -109014.8785 300.7423 -161345.0631 -108643.3390 300.0442 258.3585 282.6823 762913.6371 -12.8394 -12.8012 PRESSURE: 4765600 173.154 -224.521 -141.037 -224.521 -77.3693 -160.794 -141.037 -160.794 -211.009 GPRESSURE: 4765600 175.171 -263.857 -179.646 -306.816 11.8934 -142.059 -30.9656 -140.489 -207.885 PRESSAVG: 4765600 12.9561 -46.4869 -5.99929 -46.4868 -29.3399 -39.8682 -5.9993 -39.8682 -11.8435 GPRESSAVG: 4765600 15.395 -46.1795 -5.83244 -45.6063 -31.6863 -39.3549 -5.65539 -40.247 -12.2921 TIMING: 4765600 CPU: 15145.6, 0.00320098/step Wall: 15145.6, 0.00320097/step, 0.208419 hours remaining, 238.410156 MB of memory in use. ENERGY: 4765600 4002.3301 20455.2091 14512.8776 250.3508 -202743.4250 2322.6192 0.0000 0.0000 52125.3155 -109074.7227 299.5649 -161200.0382 -108705.7757 299.7577 -38.4082 -6.9403 760898.5783 -9.4091 -9.5278 PRESSURE: 4765800 54.5947 -135.384 201.376 -135.385 -162.669 69.2547 201.376 69.2536 -422.555 GPRESSURE: 4765800 -43.7619 -95.7747 222.551 -139.499 -85.5496 116.778 186.182 76.2115 -316.372 PRESSAVG: 4765800 19.9454 -46.2368 4.88059 -46.2368 21.8304 46.3972 4.88064 46.3972 -2.9213 GPRESSAVG: 4765800 18.4351 -48.0333 3.53667 -45.6631 22.7801 45.8648 7.16576 45.7462 -1.80866 TIMING: 4765800 CPU: 15146.2, 0.00318022/step Wall: 15146.2, 0.00318022/step, 0.206891 hours remaining, 238.410156 MB of memory in use. ENERGY: 4765800 3996.9918 20366.2466 14446.0660 259.2134 -202614.0740 2369.4674 0.0000 0.0000 52076.8238 -109099.2650 299.2862 -161176.0888 -108734.3387 299.6319 -176.8767 -148.5613 763066.8122 12.9515 13.1355 PRESSURE: 4766000 -143.984 31.0335 -149.04 31.0347 88.461 -25.2224 -149.04 -25.2215 -107.163 GPRESSURE: 4766000 -148.365 -41.1924 -30.6891 -35.799 98.2912 -8.8261 -212.895 -125.674 -36.9998 PRESSAVG: 4766000 -4.77382 -61.6219 -9.37772 -61.6219 -32.8932 15.3015 -9.37772 15.3016 -13.5804 GPRESSAVG: 4766000 -5.39318 -60.8823 -7.69335 -63.5904 -32.796 16.1702 -9.90741 17.9279 -12.7094 TIMING: 4766000 CPU: 15146.8, 0.00319216/step Wall: 15146.8, 0.00319216/step, 0.20749 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4766000 4060.3512 20654.0292 14487.7091 259.9941 -202871.0013 2508.0004 0.0000 0.0000 51855.9609 -109044.9565 298.0169 -160900.9174 -108692.6941 300.0094 -54.2288 -29.0246 762202.9886 -17.0825 -16.9662 PRESSURE: 4766200 72.8629 -22.3017 95.2081 -22.3014 304.077 21.5303 95.2083 21.5313 241.728 GPRESSURE: 4766200 84.912 10.7787 63.7334 -28.2925 374.479 66.257 118.838 99.109 228.84 PRESSAVG: 4766200 -6.43802 -35.6713 22.734 -35.6712 5.30725 2.13348 22.7341 2.13356 17.9548 GPRESSAVG: 4766200 -6.49124 -33.3749 22.0855 -34.7072 6.13138 1.16278 22.1724 -0.469734 16.4244 TIMING: 4766200 CPU: 15147.5, 0.00318132/step Wall: 15147.5, 0.00318132/step, 0.206609 hours remaining, 238.410156 MB of memory in use. ENERGY: 4766200 3959.4117 20515.6756 14470.8114 242.8278 -203311.6823 2633.8966 0.0000 0.0000 52528.3264 -108960.7328 301.8810 -161489.0592 -108579.5624 300.2760 206.2225 229.4105 760805.2630 5.6080 5.3548 PRESSURE: 4766400 195.323 -103.894 -76.9502 -103.894 -48.695 3.69685 -76.9496 3.69661 -66.6234 GPRESSURE: 4766400 266.763 -193.081 -68.2795 -75.1624 6.35794 -16.3979 -22.2451 -64.8773 -97.6782 PRESSAVG: 4766400 26.1132 -11.0399 13.7109 -11.0399 0.400988 63.1201 13.7109 63.1202 9.7867 GPRESSAVG: 4766400 24.3871 -12.9512 14.1822 -9.45293 0.377808 63.9229 13.9206 63.1539 11.103 TIMING: 4766400 CPU: 15148.1, 0.00315538/step Wall: 15148.1, 0.00315538/step, 0.204749 hours remaining, 238.410156 MB of memory in use. ENERGY: 4766400 3974.3464 20561.5796 14424.5064 219.5174 -203063.8466 2565.9214 0.0000 0.0000 52346.7650 -108971.2104 300.8376 -161317.9754 -108611.2048 300.9050 26.6681 58.4808 761198.5745 12.1003 11.9560 PRESSURE: 4766600 -13.4765 0.280971 95.9948 0.281588 126.682 -169.476 95.9943 -169.476 166.315 GPRESSURE: 4766600 -51.228 -68.446 -13.2105 14.0337 151.819 -110.018 -15.3538 -165.029 254.767 PRESSAVG: 4766600 57.6912 -60.7782 -51.5284 -60.7782 -61.8658 36.166 -51.5284 36.1659 21.2851 GPRESSAVG: 4766600 59.771 -58.3625 -51.4519 -61.3986 -61.7006 37.2721 -52.8202 36.1788 19.2473 TIMING: 4766600 CPU: 15148.7, 0.00317667/step Wall: 15148.7, 0.00317667/step, 0.205954 hours remaining, 238.410156 MB of memory in use. ENERGY: 4766600 3974.2105 20381.4936 14464.9897 245.0384 -203194.7799 2575.0890 0.0000 0.0000 52287.4586 -109266.5001 300.4967 -161553.9586 -108897.7625 299.9588 93.1734 118.4526 761747.2350 5.7035 5.7726 PRESSURE: 4766800 222.364 269.765 -62.0013 269.764 -73.7018 68.9231 -62.0012 68.9219 85.403 GPRESSURE: 4766800 124.939 275.376 -53.5035 263.596 84.3631 36.3452 53.6833 143.761 101.361 PRESSAVG: 4766800 -0.408199 -3.26081 -1.1689 -3.26085 -7.22532 81.5203 -1.16891 81.5202 5.53358 GPRESSAVG: 4766800 -2.20044 -5.40826 -1.86684 -3.69886 -6.62151 80.8679 -1.31907 82.7593 6.61029 TIMING: 4766800 CPU: 15149.4, 0.00317058/step Wall: 15149.4, 0.00317058/step, 0.205383 hours remaining, 238.410156 MB of memory in use. ENERGY: 4766800 3992.8711 20568.5337 14445.6492 249.0483 -202841.6807 2350.1037 0.0000 0.0000 51784.7963 -109450.6785 297.6079 -161235.4748 -109096.0341 299.2651 78.0216 103.5544 761370.1438 -0.7000 -0.7372 PRESSURE: 4767000 -76.7055 -293.057 21.1117 -293.056 -348.069 -96.5886 21.1115 -96.589 -157.118 GPRESSURE: 4767000 -51.0131 -247.205 85.7775 -353.828 -294.541 -125.245 91.4913 -177.622 -135.205 PRESSAVG: 4767000 100.665 -31.8258 1.55423 -31.8259 -101.588 50.0493 1.55421 50.0494 20.7433 GPRESSAVG: 4767000 101.653 -31.4037 1.30126 -32.0751 -103.417 49.7962 2.31531 49.7954 20.9022 TIMING: 4767000 CPU: 15150, 0.00318739/step Wall: 15150, 0.00318739/step, 0.206295 hours remaining, 238.410156 MB of memory in use. ENERGY: 4767000 3930.8416 20593.9149 14510.9997 257.5106 -202946.6719 2279.4467 0.0000 0.0000 52140.9369 -109233.0216 299.6547 -161373.9585 -108872.4195 299.4675 -193.9640 -160.2532 761472.7640 6.6066 6.3794 PRESSURE: 4767200 338.473 -132.782 -11.3101 -132.783 -35.0051 -336.026 -11.3093 -336.027 -316.389 GPRESSURE: 4767200 314.882 -103.073 -40.272 -111.981 16.778 -352.356 -47.5416 -311.551 -267.322 PRESSAVG: 4767200 41.9463 -35.1551 -27.3276 -35.1552 -58.3847 -0.285143 -27.3276 -0.285161 -4.74303 GPRESSAVG: 4767200 41.6191 -35.2353 -27.183 -35.4171 -57.9405 0.433445 -26.9664 -0.826775 -4.22804 TIMING: 4767200 CPU: 15150.6, 0.00319266/step Wall: 15150.6, 0.00319266/step, 0.206459 hours remaining, 238.410156 MB of memory in use. ENERGY: 4767200 3936.6041 20657.9552 14564.3617 261.2746 -202516.8667 1952.3829 0.0000 0.0000 51967.0617 -109177.2265 298.6554 -161144.2882 -108809.0016 299.8490 -4.3070 21.4462 761263.9162 -7.0605 -6.8498 PRESSURE: 4767400 106.344 -322.305 -269.343 -322.306 -113.584 140.057 -269.343 140.058 -117.137 GPRESSURE: 4767400 210.594 -249.648 -228.504 -225.444 -69.9501 144.725 -284.845 36.7144 -175.654 PRESSAVG: 4767400 101.635 -14.4198 0.302224 -14.4199 -98.1828 -0.107671 0.302224 -0.107702 -17.2302 GPRESSAVG: 4767400 102.373 -14.5802 -0.507196 -13.976 -98.1427 -1.42149 -1.02642 0.374144 -18.0295 TIMING: 4767400 CPU: 15151.3, 0.00320881/step Wall: 15151.3, 0.00320881/step, 0.207325 hours remaining, 238.410156 MB of memory in use. ENERGY: 4767400 4040.3490 20615.5625 14486.7736 242.0094 -203190.5515 2732.0849 0.0000 0.0000 52124.2104 -108949.5616 299.5586 -161073.7721 -108591.0731 299.5907 -41.4592 -11.6699 760738.7014 -4.5927 -4.5996 PRESSURE: 4767600 213.75 200.37 78.279 200.371 -378.719 50.7573 78.2787 50.7575 391.375 GPRESSURE: 4767600 170.682 195.199 26.9767 83.3675 -252.886 -91.3355 161.669 -47.2748 384.64 PRESSAVG: 4767600 43.7031 -6.62575 29.6838 -6.62575 -39.6975 -58.4928 29.6838 -58.4928 2.2016 GPRESSAVG: 4767600 43.23 -5.96273 30.449 -6.29761 -39.7299 -57.8226 29.7247 -60.2386 2.85672 TIMING: 4767600 CPU: 15151.9, 0.003197/step Wall: 15151.9, 0.003197/step, 0.206384 hours remaining, 238.410156 MB of memory in use. ENERGY: 4767600 4007.8914 20618.5545 14524.9394 246.6142 -202934.3111 2283.8878 0.0000 0.0000 52332.0761 -108920.3477 300.7532 -161252.4238 -108560.9251 300.2207 75.4687 100.8121 760762.6310 2.0691 2.1190 PRESSURE: 4767800 -236.933 -205.211 -30.6835 -205.212 -567.238 28.649 -30.6842 28.6482 274.264 GPRESSURE: 4767800 -182.523 -215.014 -8.32231 -217.615 -494.467 77.0545 -44.3542 58.2669 227.453 PRESSAVG: 4767800 31.0789 -46.1178 9.70962 -46.1178 0.515771 -28.3361 9.70962 -28.3361 17.503 GPRESSAVG: 4767800 31.402 -45.5661 9.40611 -46.247 0.0933119 -27.4844 10.325 -26.9178 17.5533 TIMING: 4767800 CPU: 15152.6, 0.00318792/step Wall: 15152.6, 0.00318792/step, 0.205621 hours remaining, 238.410156 MB of memory in use. ENERGY: 4767800 4001.7597 20406.6092 14551.4203 241.9936 -202395.7808 1920.7078 0.0000 0.0000 52343.8471 -108929.4430 300.8208 -161273.2901 -108562.3557 300.3814 -176.6358 -149.8458 760617.5944 16.3659 16.3495 PRESSURE: 4768000 -269.232 -112.943 -83.1822 -112.943 -201.299 -112.641 -83.1811 -112.639 15.4937 GPRESSURE: 4768000 -237.388 -116.202 21.9621 -126.243 -217.678 -135.723 -200.995 -57.1496 108.283 PRESSAVG: 4768000 81.719 -18.1634 13.9093 -18.1634 -31.2369 -11.0252 13.9093 -11.0253 -27.74 GPRESSAVG: 4768000 82.2173 -19.8293 12.2215 -17.5334 -31.9535 -10.4734 13.9578 -10.332 -27.2069 TIMING: 4768000 CPU: 15153.2, 0.00320524/step Wall: 15153.2, 0.00320524/step, 0.20656 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4768000 3967.5089 20472.6316 14575.5847 241.0739 -203145.0691 2497.7705 0.0000 0.0000 52230.6268 -109159.8728 300.1701 -161390.4996 -108801.7215 300.0080 -151.6789 -115.5940 759951.6623 7.5807 7.6857 PRESSURE: 4768200 -189.882 -48.3722 11.2579 -48.373 48.2188 41.5708 11.2586 41.5708 -121.277 GPRESSURE: 4768200 -252.217 -7.08742 3.33215 -153.615 81.9452 -82.6929 23.7147 -47.6899 -2.15724 PRESSAVG: 4768200 18.4861 -48.2741 50.845 -48.2741 -22.831 -34.1976 50.8449 -34.1976 14.8526 GPRESSAVG: 4768200 16.6959 -46.4735 50.3656 -48.148 -21.3002 -35.7652 52.7824 -35.5657 15.1488 TIMING: 4768200 CPU: 15153.9, 0.00321454/step Wall: 15153.9, 0.00321454/step, 0.206981 hours remaining, 238.410156 MB of memory in use. ENERGY: 4768200 3940.9798 20632.8287 14463.4658 250.0647 -203012.6114 2308.0663 0.0000 0.0000 52153.1564 -109264.0497 299.7249 -161417.2061 -108898.7691 300.0916 -87.6465 -57.4764 759179.8423 3.5026 3.5149 LDB: ============= START OF LOAD BALANCING ============== 15166.3 LDB: ============== END OF LOAD BALANCING =============== 15166.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15166.3 LDB: ============= START OF LOAD BALANCING ============== 15166.6 LDB: Largest compute 7025 load 0.033577 is 17.1% of average load 0.195983 LDB: Average compute 0.004401 is 2.2% of average load 0.195983 LDB: TIME 15166.6 LOAD: AVG 0.195983 MAX 0.218273 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 15166.6 LOAD: AVG 0.195983 MAX 0.218273 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: TIME 15166.6 LOAD: AVG 0.195983 MAX 0.218273 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.672 MB LDB: ============== END OF LOAD BALANCING =============== 15166.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15166.6 PRESSURE: 4768400 153.687 -167.746 -41.7169 -167.745 -74.6766 157.276 -41.7169 157.276 -128.587 GPRESSURE: 4768400 233.128 -150.243 -19.6413 -257.418 -29.4482 240.641 -39.4415 96.6141 -153.555 PRESSAVG: 4768400 21.3982 -8.50427 10.203 -8.50426 22.5012 -24.8274 10.2029 -24.8274 10.3523 GPRESSAVG: 4768400 22.6385 -8.11994 12.2127 -10.5167 20.6441 -24.5998 8.44368 -22.3594 10.3308 TIMING: 4768400 CPU: 15154.5, 0.00325817/step Wall: 15154.5, 0.00325817/step, 0.209609 hours remaining, 237.437500 MB of memory in use. ENERGY: 4768400 3996.2554 20516.7099 14490.4891 256.4280 -202869.9321 2046.4449 0.0000 0.0000 52308.4376 -109255.1671 300.6173 -161563.6047 -108894.2244 300.1386 -16.5255 16.7082 759277.1456 18.0839 17.8711 PRESSURE: 4768600 81.478 269.963 0.00870819 269.963 46.4973 219.416 0.00764344 219.417 -35.4804 GPRESSURE: 4768600 62.1406 339.793 -57.0003 213.864 123.888 143.417 76.7156 39.0055 16.673 PRESSAVG: 4768600 40.5619 -6.51908 36.181 -6.51905 6.91981 -12.5781 36.181 -12.5782 10.3874 GPRESSAVG: 4768600 39.002 -6.96727 35.6609 -6.21226 7.83322 -12.6635 35.5068 -14.85 10.9191 TIMING: 4768600 CPU: 15155.1, 0.00322019/step Wall: 15155.1, 0.00322019/step, 0.206986 hours remaining, 237.437500 MB of memory in use. ENERGY: 4768600 4038.2623 20553.3937 14479.3671 235.4801 -203029.9531 2290.0127 0.0000 0.0000 52012.1864 -109421.2509 298.9148 -161433.4373 -109059.5029 299.8353 30.8316 67.5671 758974.3898 19.2897 19.2514 PRESSURE: 4768800 -55.3598 21.0725 -59.9109 21.0735 -379.863 57.8421 -59.9107 57.8433 -109.852 GPRESSURE: 4768800 -114.71 123.502 -58.3331 137.347 -214.298 45.0359 -68.5168 94.2194 -122.203 PRESSAVG: 4768800 64.7516 -14.766 5.31767 -14.766 -56.1779 8.36543 5.31759 8.36554 2.06997 GPRESSAVG: 4768800 64.6228 -15.0204 4.57469 -12.8841 -56.477 7.65967 7.00998 8.32872 2.42184 TIMING: 4768800 CPU: 15155.8, 0.00317508/step Wall: 15155.8, 0.00317508/step, 0.203911 hours remaining, 237.437500 MB of memory in use. ENERGY: 4768800 4092.9170 20418.4469 14542.1803 236.5930 -202896.2786 2081.6104 0.0000 0.0000 52317.2457 -109207.2853 300.6679 -161524.5310 -108843.5216 299.9670 -181.6918 -150.4037 760741.0975 3.5479 3.5225 PRESSURE: 4769000 265.773 -289.989 -166.385 -289.989 -197.482 98.3541 -166.385 98.3545 -80.9226 GPRESSURE: 4769000 243.373 -268.691 -82.041 -216.02 -74.8656 61.3896 -60.3427 16.9602 -83.2169 PRESSAVG: 4769000 61.5219 2.13991 -25.6295 2.13986 -52.6529 69.8772 -25.6295 69.8772 -7.1628 GPRESSAVG: 4769000 61.4036 3.44241 -24.5069 1.9895 -51.1641 70.0301 -28.0491 70.7114 -8.50277 TIMING: 4769000 CPU: 15156.4, 0.00321737/step Wall: 15156.4, 0.00321737/step, 0.206448 hours remaining, 237.437500 MB of memory in use. ENERGY: 4769000 4004.6945 20680.4560 14437.5714 256.5974 -203453.9503 2565.2161 0.0000 0.0000 52219.6722 -109289.7428 300.1072 -161509.4150 -108927.0999 300.0257 -4.2104 28.4302 759707.9504 0.5687 0.5789 PRESSURE: 4769200 360.477 -91.2862 136.691 -91.2866 74.4673 -125.832 136.691 -125.833 -49.109 GPRESSURE: 4769200 443.433 -119.492 191.103 -52.3898 66.2146 -146.353 201.119 -93.1212 -48.0528 PRESSAVG: 4769200 62.7417 -13.3238 52.1945 -13.3238 -34.248 -4.35748 52.1946 -4.3575 -9.37861 GPRESSAVG: 4769200 64.6983 -13.4367 51.8436 -13.872 -37.0251 -4.96894 55.4256 -5.51493 -9.25954 TIMING: 4769200 CPU: 15157.1, 0.00321112/step Wall: 15157.1, 0.00321112/step, 0.205868 hours remaining, 237.437500 MB of memory in use. ENERGY: 4769200 3985.3340 20522.0286 14440.0172 252.4652 -203567.3713 2648.0009 0.0000 0.0000 52156.9002 -109562.6252 299.7464 -161719.5254 -109194.6642 300.0211 128.6118 153.8651 759611.9008 6.3717 6.1379 PRESSURE: 4769400 -289.942 -197.868 60.6156 -197.867 178.957 -33.847 60.6155 -33.8469 -206.536 GPRESSURE: 4769400 -207.452 -120.908 115.164 -221.015 174.416 -35.2892 117.636 -102.164 -222.007 PRESSAVG: 4769400 20.9857 3.81545 27.4237 3.81542 37.1305 22.2229 27.4237 22.2228 11.0893 GPRESSAVG: 4769400 20.5185 4.18543 25.8362 3.64581 37.4096 24.4158 25.9154 24.1556 11.2087 TIMING: 4769400 CPU: 15157.7, 0.00321603/step Wall: 15157.7, 0.00321603/step, 0.206005 hours remaining, 237.437500 MB of memory in use. ENERGY: 4769400 4059.4313 20491.9993 14530.6976 245.8659 -203449.7185 2552.5962 0.0000 0.0000 51933.3125 -109635.8157 298.4615 -161569.1282 -109277.3393 298.9185 -105.8400 -85.0145 760223.6799 23.0685 23.0456 PRESSURE: 4769600 247.885 90.1995 78.2022 90.1997 -384.886 222.76 78.2015 222.76 -182.377 GPRESSURE: 4769600 309.253 95.9057 35.2745 200.798 -400.14 211.94 130.179 178.27 -151.564 PRESSAVG: 4769600 42.2118 18.6682 43.3819 18.6682 -63.4244 -16.5766 43.3819 -16.5767 10.2915 GPRESSAVG: 4769600 42.1386 18.7493 44.148 17.3105 -64.2986 -18.9869 44.2094 -17.0155 11.3377 TIMING: 4769600 CPU: 15158.4, 0.00320906/step Wall: 15158.4, 0.00320906/step, 0.20538 hours remaining, 237.437500 MB of memory in use. ENERGY: 4769600 4016.1751 20392.0633 14484.5776 244.0785 -203556.9747 2834.7860 0.0000 0.0000 51932.4218 -109652.8724 298.4563 -161585.2942 -109286.0559 299.2111 -106.4596 -80.8170 761188.9948 -3.6404 -3.6074 PRESSURE: 4769800 -208.036 0.933534 -18.3491 0.933806 -3.518 -22.5223 -18.3482 -22.5224 -14.9682 GPRESSURE: 4769800 -156.191 -28.1746 -54.9994 43.1345 40.9042 -37.8289 65.067 17.4676 -17.1559 PRESSAVG: 4769800 16.8342 -21.6045 -15.5945 -21.6045 -52.4324 -22.7562 -15.5945 -22.7562 -10.5284 GPRESSAVG: 4769800 16.7938 -25.1233 -14.7054 -16.9227 -51.4305 -21.7246 -16.3576 -22.1384 -11.9681 TIMING: 4769800 CPU: 15159, 0.00321674/step Wall: 15159, 0.00321674/step, 0.205692 hours remaining, 237.437500 MB of memory in use. ENERGY: 4769800 3917.4542 20464.4573 14505.1668 246.6641 -203204.4680 2414.8059 0.0000 0.0000 52018.8466 -109637.0732 298.9530 -161655.9197 -109262.0801 299.4011 -75.5075 -44.1475 759892.1680 -15.3755 -15.5349 PRESSURE: 4770000 155.493 205.531 -91.442 205.53 -159.131 -167.15 -91.4418 -167.15 106.514 GPRESSURE: 4770000 175.015 188.464 -159.179 283.557 -95.4863 -75.1878 -160.623 -144.218 94.8412 PRESSAVG: 4770000 -1.12903 -21.9367 39.9087 -21.9367 -2.81603 -3.67355 39.9087 -3.67353 13.0895 GPRESSAVG: 4770000 -2.34119 -20.7293 38.7587 -23.6122 -2.54238 -2.80053 41.657 -5.25241 13.994 TIMING: 4770000 CPU: 15159.6, 0.00319311/step Wall: 15159.6, 0.00319311/step, 0.204004 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4770000 3999.6565 20473.4801 14485.3890 255.0786 -203367.9451 2549.2966 0.0000 0.0000 52308.6699 -109296.3744 300.6186 -161605.0443 -108932.4405 299.7959 34.2922 58.1234 758003.9003 3.0481 3.0368 PRESSURE: 4770200 -55.8034 -190.059 -69.5031 -190.058 -132.468 -113.412 -69.5029 -113.411 -10.9183 GPRESSURE: 4770200 -104.592 -204.203 -49.6829 -153.839 -124.783 -74.2495 19.7628 -19.0876 110.758 PRESSAVG: 4770200 10.9017 -8.48565 25.1089 -8.48575 -36.4665 -35.603 25.1088 -35.6028 -23.5067 GPRESSAVG: 4770200 11.9877 -7.801 25.8485 -10.2908 -36.2307 -36.702 22.6127 -33.8132 -24.761 TIMING: 4770200 CPU: 15160.3, 0.00319469/step Wall: 15160.3, 0.00319469/step, 0.203928 hours remaining, 237.437500 MB of memory in use. ENERGY: 4770200 3976.6089 20528.2791 14434.3120 253.0772 -203052.0237 2173.1028 0.0000 0.0000 52419.9112 -109266.7324 301.2580 -161686.6435 -108897.6688 300.2740 -66.3965 -39.5389 760165.8401 -16.3572 -16.3347 PRESSURE: 4770400 55.628 42.7246 212.337 42.7253 -109.59 -123.7 212.338 -123.7 74.5005 GPRESSURE: 4770400 115.937 -48.5171 330.677 52.6796 -120.86 -170.596 100.674 -22.5457 128.901 PRESSAVG: 4770400 54.4011 -13.8832 28.1845 -13.8832 -25.0763 -11.9761 28.1845 -11.9761 -14.3754 GPRESSAVG: 4770400 54.1153 -12.6297 28.6714 -14.7012 -26.2179 -10.8766 28.5823 -12.8227 -12.966 TIMING: 4770400 CPU: 15160.9, 0.00320868/step Wall: 15160.9, 0.00320868/step, 0.204643 hours remaining, 237.437500 MB of memory in use. ENERGY: 4770400 4020.9533 20617.2680 14434.7042 233.1242 -203126.6019 2452.1803 0.0000 0.0000 52194.6563 -109173.7157 299.9634 -161368.3719 -108812.4422 300.2550 6.8463 41.3259 761042.0192 4.9831 4.9772 PRESSURE: 4770600 -45.5494 157.711 -134.216 157.71 88.008 -152.464 -134.216 -152.463 600.402 GPRESSURE: 4770600 -60.6905 126.879 -89.9592 28.4597 169.081 -200.56 -120.707 -174.407 633.449 PRESSAVG: 4770600 73.8626 -31.2334 -38.7398 -31.2334 -69.5999 -34.7685 -38.7397 -34.7684 -9.38552 GPRESSAVG: 4770600 74.9044 -32.1882 -39.1807 -31.3927 -68.2613 -35.838 -38.4364 -34.5673 -11.2995 TIMING: 4770600 CPU: 15161.6, 0.00318919/step Wall: 15161.6, 0.00318919/step, 0.203222 hours remaining, 237.437500 MB of memory in use. ENERGY: 4770600 4021.9745 20342.6348 14502.9228 258.9673 -203600.2021 2850.6910 0.0000 0.0000 52710.1824 -108912.8294 302.9261 -161623.0118 -108548.1289 300.1875 214.2867 247.2800 760554.7672 -1.7076 -1.5521 PRESSURE: 4770800 139.396 21.3062 47.6213 21.3052 115.908 53.7747 47.6209 53.7748 -141.037 GPRESSURE: 4770800 129.107 71.8228 25.1752 57.7857 141.183 -62.7768 81.1448 -3.10505 -75.1473 PRESSAVG: 4770800 -10.9241 26.5193 23.7057 26.5193 20.7172 -55.2519 23.7057 -55.2519 -2.69748 GPRESSAVG: 4770800 -11.9511 25.3862 23.7396 28.3493 20.1088 -54.7778 25.2908 -57.663 -1.18242 TIMING: 4770800 CPU: 15162.2, 0.00320057/step Wall: 15162.2, 0.00320057/step, 0.20377 hours remaining, 237.437500 MB of memory in use. ENERGY: 4770800 4006.1255 20456.4763 14468.8724 235.8228 -203096.5090 2540.7166 0.0000 0.0000 52273.4464 -109115.0491 300.4162 -161388.4954 -108741.2942 300.3975 38.0893 65.0475 761428.6641 2.3652 2.3251 PRESSURE: 4771000 -472.232 137.061 -191.097 137.061 -118.314 157.75 -191.097 157.75 -336.858 GPRESSURE: 4771000 -483.012 110.915 -219.677 160.011 -35.2428 225.997 -154.624 171.506 -329.158 PRESSAVG: 4771000 43.147 12.4795 1.86251 12.4795 -30.8562 28.9986 1.8625 28.9985 -22.2002 GPRESSAVG: 4771000 43.7127 12.8648 2.41566 11.5403 -29.8491 30.3189 2.26109 29.6958 -23.6076 TIMING: 4771000 CPU: 15162.8, 0.00320345/step Wall: 15162.8, 0.00320345/step, 0.203775 hours remaining, 237.437500 MB of memory in use. ENERGY: 4771000 4013.6701 20404.6899 14502.6722 248.8487 -202505.4708 2080.2325 0.0000 0.0000 52195.4791 -109059.8784 299.9681 -161255.3574 -108680.2167 300.2464 -309.1346 -282.4708 761552.2034 -3.3031 -3.2480 PRESSURE: 4771200 17.3044 -28.3299 104.795 -28.3308 102.241 -153.573 104.795 -153.573 190.63 GPRESSURE: 4771200 25.5065 19.8295 8.90117 -19.5955 157.885 -155.756 98.5391 -145.723 225.453 PRESSAVG: 4771200 29.0927 -19.4912 8.49392 -19.4912 -31.7159 43.8316 8.49392 43.8316 10.7024 GPRESSAVG: 4771200 28.5866 -20.926 7.58537 -17.9802 -32.474 40.664 7.64226 47.4467 12.2114 TIMING: 4771200 CPU: 15163.5, 0.00322351/step Wall: 15163.5, 0.00322351/step, 0.204872 hours remaining, 237.437500 MB of memory in use. ENERGY: 4771200 4010.5656 20637.7406 14506.0843 263.8998 -203043.9133 2421.6793 0.0000 0.0000 52076.3856 -109127.5582 299.2837 -161203.9437 -108768.6836 300.2330 103.3919 136.2813 760735.5194 2.6931 2.7747 PRESSURE: 4771400 -221.033 76.8307 251.895 76.8315 137.561 -0.136182 251.895 -0.136478 -375.229 GPRESSURE: 4771400 -177.971 -37.1479 225.676 31.4594 161.034 -78.1088 222.778 -143.971 -373.913 PRESSAVG: 4771400 33.1849 -70.4474 18.8274 -70.4473 -27.643 -20.4274 18.8274 -20.4274 -9.95216 GPRESSAVG: 4771400 34.752 -68.9198 17.8205 -71.8598 -27.9552 -18.8231 17.6419 -22.8036 -11.1826 TIMING: 4771400 CPU: 15164.1, 0.00319457/step Wall: 15164.1, 0.00319457/step, 0.202855 hours remaining, 237.437500 MB of memory in use. ENERGY: 4771400 4014.8979 20613.8940 14437.4509 261.1771 -202835.2490 2311.3912 0.0000 0.0000 52247.9310 -108948.5069 300.2696 -161196.4379 -108576.9882 300.2811 -152.9006 -130.2834 761053.6455 -1.4701 -1.4619 PRESSURE: 4771600 119.773 -34.6806 44.3508 -34.68 -150.128 -146.786 44.3506 -146.785 -39.3846 GPRESSURE: 4771600 123.958 12.1957 40.4363 -31.4266 -56.7302 -210.409 -26.3801 -43.6359 -72.9189 PRESSAVG: 4771600 90.3982 -56.2401 14.5246 -56.2402 -41.3495 -34.2589 14.5246 -34.2588 1.62603 GPRESSAVG: 4771600 88.6262 -55.6547 14.1295 -57.3201 -40.8334 -34.3391 15.4618 -32.988 2.66135 TIMING: 4771600 CPU: 15164.8, 0.0031937/step Wall: 15164.8, 0.0031937/step, 0.202623 hours remaining, 237.437500 MB of memory in use. ENERGY: 4771600 3988.5570 20523.6353 14389.1138 249.4222 -203346.4441 2696.8043 0.0000 0.0000 52149.6382 -109349.2734 299.7047 -161498.9116 -108988.1487 300.0904 -23.2462 -1.8971 761654.4000 16.8915 16.8180 PRESSURE: 4771800 -27.5457 164.495 89.1372 164.497 -269.511 -131.851 89.1377 -131.851 124.037 GPRESSURE: 4771800 -65.9124 68.5051 187.26 78.8646 -161.945 -175.674 145.102 -167.839 147.18 PRESSAVG: 4771800 56.9965 -34.4133 15.2224 -34.4134 -78.2752 -28.0106 15.2224 -28.0106 -4.94172 GPRESSAVG: 4771800 57.2848 -35.1534 16.1383 -33.4188 -78.312 -25.8559 14.1478 -31.4852 -5.47684 TIMING: 4771800 CPU: 15165.4, 0.00317366/step Wall: 15165.4, 0.00317366/step, 0.201175 hours remaining, 237.437500 MB of memory in use. ENERGY: 4771800 3953.2227 20577.2022 14386.2601 252.8910 -202904.6040 2377.2326 0.0000 0.0000 52078.2745 -109279.5209 299.2946 -161357.7954 -108927.9639 299.1277 -57.6733 -26.8924 761314.4183 -8.7401 -8.8347 PRESSURE: 4772000 -281.008 289.241 -233.001 289.241 68.8556 209.497 -233 209.496 166.085 GPRESSURE: 4772000 -161.788 197.957 -249.659 194.835 33.7436 111.19 -114.236 148.481 168.452 PRESSAVG: 4772000 49.7125 56.7216 29.2006 56.7216 3.02464 -37.5135 29.2006 -37.5136 17.835 GPRESSAVG: 4772000 50.9029 56.201 28.7457 57.2609 1.45261 -40.1854 27.7699 -36.1319 18.6173 TIMING: 4772000 CPU: 15166, 0.00319111/step Wall: 15166, 0.00319111/step, 0.202104 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4772000 4096.9473 20631.1081 14440.1057 246.9822 -203215.8853 2525.6086 0.0000 0.0000 52186.4174 -109088.7160 299.9161 -161275.1333 -108731.6190 300.1297 -15.3557 13.4692 761284.3307 23.5240 23.6576 PRESSURE: 4772200 -112.03 -132.961 13.4153 -132.961 -216.658 -106.958 13.414 -106.958 120.466 GPRESSURE: 4772200 -82.6071 -78.0228 -92.4947 -116.829 -137.812 -90.8746 -19.0037 -170.725 92.4596 PRESSAVG: 4772200 51.3956 -17.8847 -41.4617 -17.8847 -14.5382 0.782626 -41.4618 0.78262 -6.55152 GPRESSAVG: 4772200 50.2455 -17.9774 -40.8509 -18.9691 -11.9048 2.20287 -39.6641 1.68662 -8.22063 TIMING: 4772200 CPU: 15166.7, 0.00318535/step Wall: 15166.7, 0.00318535/step, 0.201562 hours remaining, 237.437500 MB of memory in use. ENERGY: 4772200 3987.7354 20787.8483 14394.2390 240.8535 -202994.2249 2425.1785 0.0000 0.0000 51922.9259 -109235.4443 298.4018 -161158.3702 -108885.2516 299.8026 -69.4073 -42.6532 760566.3445 10.1020 10.0400 LDB: ============= START OF LOAD BALANCING ============== 15179.1 LDB: ============== END OF LOAD BALANCING =============== 15179.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15179.1 LDB: ============= START OF LOAD BALANCING ============== 15179.4 LDB: Largest compute 7025 load 0.034279 is 17.5% of average load 0.195887 LDB: Average compute 0.004384 is 2.2% of average load 0.195887 LDB: TIME 15179.4 LOAD: AVG 0.195887 MAX 0.218455 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.488 MB LDB: TIME 15179.4 LOAD: AVG 0.195887 MAX 0.218455 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.559 MB LDB: TIME 15179.4 LOAD: AVG 0.195887 MAX 0.218455 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.559 MB LDB: ============== END OF LOAD BALANCING =============== 15179.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15179.4 PRESSURE: 4772400 23.0994 41.6256 -92.4601 41.626 -51.8452 -54.0601 -92.4597 -54.0595 215.113 GPRESSURE: 4772400 74.8525 19.8927 -149.591 -32.6093 -115.883 39.2579 -112.5 -115.137 305.57 PRESSAVG: 4772400 -11.8718 -3.81921 -41.3739 -3.81919 -24.0199 -47.5004 -41.3739 -47.5003 20.788 GPRESSAVG: 4772400 -11.3136 -2.48724 -42.5212 -5.76522 -25.4937 -47.1162 -39.0355 -49.0577 21.9652 TIMING: 4772400 CPU: 15167.3, 0.00328427/step Wall: 15167.3, 0.00328427/step, 0.207639 hours remaining, 238.324219 MB of memory in use. ENERGY: 4772400 3963.2720 20628.0671 14408.3249 241.5692 -202872.9138 2224.0516 0.0000 0.0000 51961.5317 -109446.0974 298.6236 -161407.6291 -109088.0449 299.5589 62.1225 88.1797 761703.7554 -5.0346 -4.9474 PRESSURE: 4772600 -105.753 22.1614 -166.814 22.1619 -284.233 -145.601 -166.814 -145.601 -1.1359 GPRESSURE: 4772600 -126.729 -18.8769 -43.0715 -76.5278 -216.749 -208.399 -191.404 49.4648 28.3113 PRESSAVG: 4772600 10.7157 -19.467 3.23626 -19.467 -10.1877 16.4845 3.23625 16.4845 -15.9931 GPRESSAVG: 4772600 10.0357 -19.8359 5.06588 -18.9746 -10.1356 16.6749 1.16044 17.5348 -15.3434 TIMING: 4772600 CPU: 15168, 0.003214/step Wall: 15168, 0.003214/step, 0.203018 hours remaining, 238.324219 MB of memory in use. ENERGY: 4772600 4079.4884 20473.5902 14385.7657 270.6285 -203288.3918 2445.6855 0.0000 0.0000 52241.2710 -109391.9625 300.2313 -161633.2335 -109021.5258 299.4835 -130.3737 -105.0555 760800.3118 -5.1550 -5.1478 PRESSURE: 4772800 175.647 100.055 330.045 100.056 111.62 -60.3339 330.045 -60.3334 158.208 GPRESSURE: 4772800 164.069 -51.3813 379.243 -10.8516 157.152 -145.855 201.094 -81.5456 221.582 PRESSAVG: 4772800 -10.3396 -5.72645 23.7198 -5.72648 -16.6459 -41.1126 23.7198 -41.1127 0.308803 GPRESSAVG: 4772800 -9.33946 -5.0713 23.5282 -4.81042 -17.137 -41.0244 25.7978 -40.8272 -0.166961 TIMING: 4772800 CPU: 15168.6, 0.00319434/step Wall: 15168.6, 0.00319434/step, 0.201598 hours remaining, 238.324219 MB of memory in use. ENERGY: 4772800 4002.2673 20434.5427 14432.1635 257.4208 -202805.1340 2402.3589 0.0000 0.0000 51928.3778 -109348.0030 298.4331 -161276.3808 -108985.4021 299.6901 148.4919 180.9345 762186.0903 -8.8923 -8.8811 PRESSURE: 4773000 51.638 -215.119 232.062 -215.119 -78.9511 -238.569 232.062 -238.57 -358.89 GPRESSURE: 4773000 65.5175 -155.155 223.925 -262.4 -132.389 -219.62 206.085 -215.256 -222.925 PRESSAVG: 4773000 25.3035 -55.3879 69.0627 -55.388 -8.57655 -49.8284 69.0627 -49.8285 1.7743 GPRESSAVG: 4773000 25.755 -56.9623 70.5328 -55.8432 -8.62496 -49.0939 65.9417 -51.2467 1.43708 TIMING: 4773000 CPU: 15169.2, 0.00321558/step Wall: 15169.2, 0.00321558/step, 0.20276 hours remaining, 238.324219 MB of memory in use. ENERGY: 4773000 4001.8215 20638.3828 14369.6237 238.7122 -203233.9044 2547.1459 0.0000 0.0000 52079.6436 -109358.5746 299.3024 -161438.2182 -109007.4673 299.6932 -128.7344 -96.5986 762340.0903 6.1671 6.1890 PRESSURE: 4773200 46.5809 -169.097 -213.904 -169.097 4.82765 106.919 -213.904 106.918 691.238 GPRESSURE: 4773200 121.42 -221.745 -165.138 -180.96 6.92075 -27.3767 -100.099 100.375 703.958 PRESSAVG: 4773200 57.1475 -50.2814 33.1517 -50.2813 -25.4278 -4.2775 33.1517 -4.27747 1.09279 GPRESSAVG: 4773200 56.0588 -48.8645 30.7143 -50.9513 -26.1712 -4.85148 35.1462 -4.45892 2.04951 TIMING: 4773200 CPU: 15169.9, 0.00318734/step Wall: 15169.9, 0.00318734/step, 0.200802 hours remaining, 238.324219 MB of memory in use. ENERGY: 4773200 4036.0821 20446.9966 14411.5320 241.7161 -203486.1005 2760.8334 0.0000 0.0000 52041.5090 -109547.4313 299.0833 -161588.9403 -109176.6412 299.6331 247.5488 277.4330 761566.4022 10.9375 10.6457 PRESSURE: 4773400 518.015 221.708 254.587 221.708 446.663 188.447 254.586 188.446 161.125 GPRESSURE: 4773400 565.373 186.158 261.665 201.913 366.37 118.288 159.403 241.95 289.202 PRESSAVG: 4773400 69.1352 -54.0868 9.91397 -54.0868 -8.21139 -14.7537 9.91396 -14.7537 15.1133 GPRESSAVG: 4773400 69.6216 -54.4106 10.2534 -51.7648 -7.53655 -17.1595 9.70017 -12.8135 14.5788 TIMING: 4773400 CPU: 15170.5, 0.00318038/step Wall: 15170.5, 0.00318038/step, 0.200187 hours remaining, 238.324219 MB of memory in use. ENERGY: 4773400 3929.7399 20298.9424 14490.4820 258.2743 -203549.3168 2815.5140 0.0000 0.0000 52329.7624 -109426.6018 300.7399 -161756.3641 -109057.3625 299.6023 375.2675 406.9818 761142.2487 25.3457 25.5546 PRESSURE: 4773600 21.7481 -55.0399 47.8157 -55.0397 -49.412 40.0063 47.8154 40.0065 641.99 GPRESSURE: 4773600 41.8738 -37.0052 14.2385 -12.3185 2.92861 -9.2324 -25.2708 34.974 671.225 PRESSAVG: 4773600 -38.5346 -19.6068 22.8056 -19.6068 -1.53478 -27.6777 22.8056 -27.6777 -10.6438 GPRESSAVG: 4773600 -38.4504 -20.3993 23.821 -21.2418 -1.61737 -26.1387 21.3498 -27.2028 -10.8325 TIMING: 4773600 CPU: 15171.2, 0.00318618/step Wall: 15171.2, 0.00318618/step, 0.200375 hours remaining, 238.324219 MB of memory in use. ENERGY: 4773600 3922.6797 20622.6974 14505.6999 226.8260 -203515.1130 2613.2524 0.0000 0.0000 52084.5660 -109539.3915 299.3307 -161623.9576 -109180.5579 299.3099 204.7754 238.6759 761114.4489 -16.9044 -16.9668 PRESSURE: 4773800 -4.76932 -30.3181 -69.9119 -30.3183 95.1765 -151.995 -69.912 -151.995 353.626 GPRESSURE: 4773800 43.1079 81.6053 -20.1985 -43.4132 124.584 -231.584 -182.316 -164.099 384.259 PRESSAVG: 4773800 -20.6683 22.3974 25.5846 22.3973 -24.2609 3.71326 25.5847 3.71331 11.0541 GPRESSAVG: 4773800 -21.0241 22.5707 24.3106 22.3712 -24.4091 3.55652 26.8869 1.80269 11.5545 TIMING: 4773800 CPU: 15171.8, 0.00316445/step Wall: 15171.8, 0.00316445/step, 0.198833 hours remaining, 238.324219 MB of memory in use. ENERGY: 4773800 3962.6217 20435.7979 14418.7821 243.3996 -203326.0035 2601.7735 0.0000 0.0000 51790.9794 -109872.6493 297.6435 -161663.6287 -109516.0726 298.9794 148.0110 183.9836 760805.4176 -11.2917 -11.2929 PRESSURE: 4774000 -96.2491 -200.383 37.4521 -200.382 91.642 -18.6969 37.452 -18.6976 -426.475 GPRESSURE: 4774000 -49.4893 -340.568 -27.9222 -150.358 176.482 18.3221 209.514 49.8818 -473.42 PRESSAVG: 4774000 -24.3355 -9.42441 17.0313 -9.42443 1.75851 -17.3697 17.0313 -17.3697 2.09118 GPRESSAVG: 4774000 -24.5266 -7.65542 16.9297 -11.3533 2.66996 -15.9568 17.3955 -15.9806 1.02801 TIMING: 4774000 CPU: 15172.4, 0.00318987/step Wall: 15172.4, 0.00318987/step, 0.200253 hours remaining, 238.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4774000 3982.3942 20495.4957 14428.6527 252.3936 -204009.8671 2961.8093 0.0000 0.0000 52020.2980 -109868.8236 298.9614 -161889.1216 -109508.3476 298.3399 -143.6941 -115.4759 759616.4638 -6.8286 -6.9429 PRESSURE: 4774200 175.593 -193.363 38.8114 -193.363 -76.8888 48.0087 38.8106 48.0076 -230.555 GPRESSURE: 4774200 148.963 -164.421 -47.0205 -94.4245 -50.2234 83.5112 101.606 90.4554 -150.805 PRESSAVG: 4774200 -26.6933 -82.8168 33.0659 -82.8168 -9.69761 9.00724 33.0659 9.0072 24.6009 GPRESSAVG: 4774200 -26.7074 -82.0447 32.6728 -80.4692 -10.844 6.68368 30.8288 9.71236 25.7633 TIMING: 4774200 CPU: 15173.1, 0.0032108/step Wall: 15173.1, 0.0032108/step, 0.201388 hours remaining, 238.324219 MB of memory in use. ENERGY: 4774200 3981.7885 20441.0982 14410.8292 253.9217 -203337.3487 2361.7346 0.0000 0.0000 51821.4196 -110066.5570 297.8184 -161887.9766 -109709.9842 297.9692 -43.9502 -17.3552 761270.1265 -3.9300 -3.9294 PRESSURE: 4774400 -101.602 166.439 19.3518 166.44 -216.223 -219.506 19.3519 -219.505 -285.736 GPRESSURE: 4774400 -35.558 130.209 -31.8446 182.723 -252.166 -289.071 34.5901 -59.848 -221.653 PRESSAVG: 4774400 44.4095 -42.109 -25.4051 -42.1091 -27.8596 -16.049 -25.405 -16.049 -4.89725 GPRESSAVG: 4774400 44.1006 -44.3818 -25.7243 -42.0848 -28.3597 -14.9117 -25.1845 -17.4156 -4.16772 TIMING: 4774400 CPU: 15173.7, 0.00319797/step Wall: 15173.7, 0.00319798/step, 0.200406 hours remaining, 238.324219 MB of memory in use. ENERGY: 4774400 3988.2577 20437.9784 14439.5921 252.5215 -203332.1548 2449.7892 0.0000 0.0000 51870.0016 -109894.0142 298.0976 -161764.0158 -109527.2463 298.2017 -201.1868 -169.7925 760648.2824 3.8842 3.8577 PRESSURE: 4774600 -169.147 -58.9056 -56.125 -58.9056 -93.6144 -250.224 -56.1244 -250.224 -295.968 GPRESSURE: 4774600 -150.877 -158.603 -127.199 -31.688 -84.5345 -223.264 -54.7339 -200.504 -216.591 PRESSAVG: 4774600 41.72 -45.3794 -2.61013 -45.3794 -3.30209 -28.927 -2.61008 -28.9269 -50.5749 GPRESSAVG: 4774600 42.3049 -45.9801 -0.334407 -45.8475 -2.97506 -29.4461 -1.67803 -28.4856 -51.1191 TIMING: 4774600 CPU: 15174.3, 0.00319291/step Wall: 15174.3, 0.00319291/step, 0.199912 hours remaining, 238.324219 MB of memory in use. ENERGY: 4774600 4030.3435 20368.5118 14405.0854 249.4227 -203236.8502 2459.4926 0.0000 0.0000 51943.7803 -109780.2139 298.5216 -161723.9943 -109419.7020 299.2052 -186.2433 -150.6675 761003.9037 -4.0523 -3.9297 PRESSURE: 4774800 50.664 -140.824 -247.596 -140.824 161.984 303.759 -247.595 303.759 -413.607 GPRESSURE: 4774800 110.899 -109.504 -260.953 -121.339 164.37 326.093 -316.185 177.36 -397.048 PRESSAVG: 4774800 10.919 -34.6029 7.27897 -34.6029 -27.0285 -6.75084 7.27896 -6.75092 11.2508 GPRESSAVG: 4774800 9.94645 -35.1118 5.40151 -34.3341 -25.4153 -6.30617 7.16141 -7.0001 9.9863 TIMING: 4774800 CPU: 15175, 0.0031904/step Wall: 15175, 0.0031904/step, 0.199577 hours remaining, 238.324219 MB of memory in use. ENERGY: 4774800 3953.6796 20458.2694 14449.1855 252.3506 -203644.9549 2610.0218 0.0000 0.0000 52240.6223 -109680.8258 300.2276 -161921.4481 -109308.8249 298.8938 -66.9862 -40.5927 760321.7139 -1.6196 -1.8275 PRESSURE: 4775000 250.5 -54.7504 -173.871 -54.7503 -148.253 -64.9875 -173.87 -64.9858 -15.5394 GPRESSURE: 4775000 331.961 73.9246 -90.3937 -43.0864 -131.055 -98.0894 -136.555 -191.397 -19.6903 PRESSAVG: 4775000 -28.8244 -23.6969 -19.2961 -23.6969 38.3019 12.0883 -19.2961 12.0882 16.4487 GPRESSAVG: 4775000 -28.0947 -23.0883 -19.5135 -23.2358 37.2527 10.7143 -19.3059 12.995 17.1716 TIMING: 4775000 CPU: 15175.6, 0.00319601/step Wall: 15175.6, 0.00319601/step, 0.19975 hours remaining, 238.324219 MB of memory in use. ENERGY: 4775000 4000.7384 20469.2944 14416.6335 270.9153 -203245.2121 2425.1157 0.0000 0.0000 51971.7497 -109690.7649 298.6824 -161662.5147 -109331.7094 299.0436 28.9024 60.4053 761836.2988 8.6420 8.7765 PRESSURE: 4775200 -125.825 -248.338 14.1902 -248.337 -407.359 157.959 14.1901 157.958 251.411 GPRESSURE: 4775200 -33.4184 -252.344 -60.473 -238.182 -372.59 153.211 26.5475 89.9767 229.572 PRESSAVG: 4775200 32.4039 -51.1858 -55.1755 -51.1857 -52.2448 -15.3833 -55.1754 -15.3833 -9.74122 GPRESSAVG: 4775200 31.4138 -50.2734 -54.3558 -50.5733 -51.9919 -14.6243 -54.7701 -13.3277 -8.77324 TIMING: 4775200 CPU: 15176.3, 0.00320452/step Wall: 15176.3, 0.00320452/step, 0.200104 hours remaining, 238.324219 MB of memory in use. ENERGY: 4775200 4003.7274 20261.9178 14469.9876 237.2629 -203349.4929 2588.3266 0.0000 0.0000 52315.8072 -109472.4634 300.6597 -161788.2707 -109108.8975 299.0129 -93.9246 -58.8121 762107.4938 -9.8607 -9.7838 PRESSURE: 4775400 291.017 13.202 271.976 13.2017 139.543 -49.3457 271.977 -49.3464 497.698 GPRESSURE: 4775400 326.382 67.0734 305.491 -85.7601 236.956 -21.6738 172.881 -155.65 453.789 PRESSAVG: 4775400 22.5229 -38.6284 -4.44105 -38.6284 -45.8983 9.49412 -4.44109 9.49418 -18.114 GPRESSAVG: 4775400 23.3423 -40.3054 -3.37201 -38.4938 -45.9486 9.30709 -8.65763 8.40776 -18.2848 TIMING: 4775400 CPU: 15176.9, 0.00319631/step Wall: 15176.9, 0.00319631/step, 0.199414 hours remaining, 238.324219 MB of memory in use. ENERGY: 4775400 3919.9831 20421.1884 14509.9199 233.4197 -203684.6353 2669.5471 0.0000 0.0000 52127.1601 -109803.4170 299.5755 -161930.5771 -109430.4459 298.3274 309.4195 339.0422 759656.8257 -13.8298 -13.6304 PRESSURE: 4775600 -274.431 -171.901 91.7664 -171.899 -88.6216 11.618 91.7664 11.6182 -485.539 GPRESSURE: 4775600 -261.098 -188.273 16.3763 -126.377 -57.0139 93.1857 146.807 26.2298 -467.074 PRESSAVG: 4775600 46.6434 -32.955 27.7568 -32.9551 4.28671 23.7533 27.7568 23.7533 -15.0871 GPRESSAVG: 4775600 45.7782 -30.8443 26.3244 -34.1513 5.40059 24.5494 31.8972 21.8314 -15.1795 TIMING: 4775600 CPU: 15177.5, 0.00320431/step Wall: 15177.5, 0.00320431/step, 0.199735 hours remaining, 238.324219 MB of memory in use. ENERGY: 4775600 4075.7727 20322.6195 14489.8688 256.3732 -203160.9983 2320.2655 0.0000 0.0000 51776.7559 -109919.3426 297.5617 -161696.0984 -109553.3057 298.2741 -282.8639 -261.7287 760175.5850 11.9477 11.9998 PRESSURE: 4775800 -75.2523 19.7511 -26.5359 19.7505 -45.376 -50.7707 -26.5364 -50.7698 -207.579 GPRESSURE: 4775800 -43.154 -42.7758 39.2275 122.024 -7.39405 -160.961 11.8697 -21.0315 -181.324 PRESSAVG: 4775800 38.8853 -32.5762 -17.5796 -32.5762 14.9568 -20.2425 -17.5795 -20.2424 21.9275 GPRESSAVG: 4775800 40.0416 -33.8109 -16.65 -30.4814 14.534 -20.0192 -17.7261 -20.7313 20.6624 TIMING: 4775800 CPU: 15178.2, 0.00321274/step Wall: 15178.2, 0.00321274/step, 0.200082 hours remaining, 238.324219 MB of memory in use. ENERGY: 4775800 3963.2073 20392.9728 14399.7778 251.2749 -203088.4100 2173.7803 0.0000 0.0000 51919.1012 -109988.2957 298.3798 -161907.3968 -109624.1107 298.0886 -109.4024 -77.2905 760933.1285 25.2566 25.0793 PRESSURE: 4776000 -52.7418 -126.947 -13.2156 -126.947 34.1589 -30.0227 -13.2156 -30.0224 413.254 GPRESSURE: 4776000 -6.11114 -97.9909 65.7674 -80.866 155.267 -42.0898 31.3788 -15.107 342.881 PRESSAVG: 4776000 -6.99609 -9.90656 8.98916 -9.90663 9.23046 -37.614 8.98917 -37.614 -24.2849 GPRESSAVG: 4776000 -6.96834 -11.19 10.0296 -11.4352 9.02726 -38.7537 9.58327 -36.3021 -23.1775 TIMING: 4776000 CPU: 15178.8, 0.0031908/step Wall: 15178.8, 0.0031908/step, 0.198538 hours remaining, 238.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4776000 3874.6353 20505.9260 14437.4382 262.3242 -203011.0181 2131.3225 0.0000 0.0000 51939.1325 -109860.2394 298.4949 -161799.3719 -109502.3180 297.9645 131.5571 164.0121 760836.4730 -7.3502 -7.0395 PRESSURE: 4776200 -283.68 -91.6317 45.1868 -91.6314 47.8171 -50.8754 45.1868 -50.8746 97.5786 GPRESSURE: 4776200 -205.044 10.2324 20.9317 -123.94 36.6643 37.4355 158.41 -58.5626 110.914 PRESSAVG: 4776200 5.06815 -69.6425 23.5433 -69.6425 -11.442 -36.9141 23.5433 -36.9141 2.04812 GPRESSAVG: 4776200 5.27089 -69.3356 21.6089 -70.1333 -12.0316 -35.7859 21.841 -36.9377 2.07526 TIMING: 4776200 CPU: 15179.5, 0.00318835/step Wall: 15179.5, 0.00318835/step, 0.198209 hours remaining, 238.324219 MB of memory in use. ENERGY: 4776200 3951.5726 20455.3522 14404.8219 237.6471 -203055.0040 2375.2652 0.0000 0.0000 51954.3227 -109676.0222 298.5822 -161630.3449 -109326.8612 298.6864 -46.0947 -19.1552 761482.3840 -1.4419 -1.5618 LDB: ============= START OF LOAD BALANCING ============== 15191.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15191.9 LDB: =============== DONE WITH MIGRATION ================ 15191.9 LDB: ============= START OF LOAD BALANCING ============== 15192.2 LDB: Largest compute 7025 load 0.032781 is 16.7% of average load 0.195921 LDB: Average compute 0.004387 is 2.2% of average load 0.195921 LDB: TIME 15192.2 LOAD: AVG 0.195921 MAX 0.217442 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.668 MB LDB: TIME 15192.2 LOAD: AVG 0.195921 MAX 0.217442 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.738 MB LDB: TIME 15192.2 LOAD: AVG 0.195921 MAX 0.217442 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.738 MB LDB: ============== END OF LOAD BALANCING =============== 15192.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15192.2 PRESSURE: 4776400 -102.944 -91.8317 -7.59383 -91.8318 105.691 88.9907 -7.59356 88.991 -129.653 GPRESSURE: 4776400 -42.8285 -62.4758 26.0829 -244.572 89.386 97.0921 -100.629 87.2778 -93.688 PRESSAVG: 4776400 65.7147 -55.2629 45.3973 -55.2629 -60.2609 -24.1643 45.3973 -24.1643 37.1984 GPRESSAVG: 4776400 66.0013 -52.3991 46.6206 -57.3109 -60.173 -24.1275 45.8845 -23.0012 36.994 TIMING: 4776400 CPU: 15180.1, 0.00325195/step Wall: 15180.1, 0.00325195/step, 0.201982 hours remaining, 237.187500 MB of memory in use. ENERGY: 4776400 4054.5074 20345.7971 14391.3458 221.2869 -203526.7574 2655.3318 0.0000 0.0000 52027.1576 -109831.3308 299.0008 -161858.4884 -109471.6188 298.7044 -42.3019 -15.7102 762805.5655 14.2174 14.2741 PRESSURE: 4776600 152.981 92.9602 -16.7949 92.9607 -146.377 48.7156 -16.7947 48.7154 182.969 GPRESSURE: 4776600 191.383 29.8833 -49.5404 187.74 -85.7103 111.996 40.5887 87.9198 148.127 PRESSAVG: 4776600 -6.90781 -58.8405 43.7869 -58.8405 31.7027 -18.5317 43.7868 -18.5317 8.7068 GPRESSAVG: 4776600 -6.80421 -60.4322 42.4419 -55.8417 32.3499 -19.7395 43.2062 -19.0002 8.03264 TIMING: 4776600 CPU: 15180.8, 0.0031704/step Wall: 15180.8, 0.0031704/step, 0.196741 hours remaining, 237.187500 MB of memory in use. ENERGY: 4776600 4029.4744 20484.4604 14422.8780 263.3210 -203538.2068 2650.9419 0.0000 0.0000 51827.7572 -109859.3739 297.8548 -161687.1311 -109509.0654 298.6156 63.1911 84.5999 761230.2191 11.1672 11.1928 PRESSURE: 4776800 -68.2353 -77.4759 166.574 -77.4759 194.972 80.5998 166.574 80.5993 -262.348 GPRESSURE: 4776800 -5.30193 -184.643 155.559 -71.0857 222.308 92.0871 46.4364 36.3541 -278.527 PRESSAVG: 4776800 -35.9991 -66.0313 0.775055 -66.0313 20.4931 -1.58964 0.775103 -1.58964 5.6145 GPRESSAVG: 4776800 -36.9268 -68.1545 0.0187771 -67.4502 20.7988 -1.3647 2.39458 -2.82084 6.43004 TIMING: 4776800 CPU: 15181.4, 0.00318204/step Wall: 15181.4, 0.00318204/step, 0.197286 hours remaining, 237.187500 MB of memory in use. ENERGY: 4776800 4084.2470 20466.8004 14434.2123 251.7306 -203339.4128 2539.3982 0.0000 0.0000 51844.7413 -109718.2828 297.9524 -161563.0242 -109360.7824 298.8378 -45.2036 -20.5071 761319.9341 -3.2971 -3.2327 PRESSURE: 4777000 449.718 78.7655 -34.7091 78.7666 -75.9788 -35.3125 -34.7095 -35.3124 34.9484 GPRESSURE: 4777000 426.311 79.8745 -10.5203 121.224 -27.4606 -127.721 -81.1485 28.6584 81.834 PRESSAVG: 4777000 32.3952 -19.5966 64.3696 -19.5966 11.8469 -1.99313 64.3695 -1.99315 18.7188 GPRESSAVG: 4777000 32.2656 -18.4367 64.4157 -19.2858 12.2084 0.156961 64.8299 -3.10006 18.4465 TIMING: 4777000 CPU: 15182, 0.00317071/step Wall: 15182, 0.00317071/step, 0.196408 hours remaining, 237.187500 MB of memory in use. ENERGY: 4777000 4012.1638 20529.3230 14435.7665 225.4324 -203819.2420 3102.1116 0.0000 0.0000 51721.4391 -109793.0055 297.2438 -161514.4446 -109433.8213 298.5965 136.2293 160.2282 761745.7137 20.9870 20.9735 PRESSURE: 4777200 -288.111 57.8006 27.3005 57.8008 -449.521 -218.642 27.3 -218.641 -230.801 GPRESSURE: 4777200 -315.048 -13.4059 65.3083 16.7082 -378.109 -253.975 75.8459 -76.4502 -180.231 PRESSAVG: 4777200 59.58 -23.4156 4.20078 -23.4156 -19.3591 -1.74165 4.20077 -1.74163 -32.6591 GPRESSAVG: 4777200 59.4721 -22.4649 4.57445 -23.9647 -19.5627 -5.45416 4.82438 1.73959 -32.3092 TIMING: 4777200 CPU: 15182.7, 0.0032056/step Wall: 15182.7, 0.0032056/step, 0.198391 hours remaining, 237.187500 MB of memory in use. ENERGY: 4777200 3993.4198 20435.8580 14466.4868 238.0799 -202961.8694 2130.2997 0.0000 0.0000 51721.0656 -109976.6596 297.2417 -161697.7252 -109616.1931 298.0918 -322.8111 -291.1294 763399.2118 2.5206 2.5334 PRESSURE: 4777400 -211.314 -50.3591 341.906 -50.3596 -122.619 63.7618 341.905 63.7613 -215.457 GPRESSURE: 4777400 -144.409 -78.2363 207.449 -98.2285 -129.131 88.705 243.925 55.493 -180.902 PRESSAVG: 4777400 10.8641 -39.6554 79.5004 -39.6553 -24.8937 11.4685 79.5004 11.4685 -19.3361 GPRESSAVG: 4777400 9.92997 -39.1619 80.8791 -40.9853 -24.7718 13.0667 76.3668 11.9294 -18.5731 TIMING: 4777400 CPU: 15183.3, 0.00317293/step Wall: 15183.3, 0.00317293/step, 0.196193 hours remaining, 237.187500 MB of memory in use. ENERGY: 4777400 3936.9319 20520.9591 14442.9400 228.2288 -203648.5561 2666.5322 0.0000 0.0000 51742.9751 -110109.9892 297.3676 -161852.9642 -109761.0628 298.2817 -183.1301 -151.4806 762318.8735 -11.1219 -11.1383 PRESSURE: 4777600 410.583 53.9084 -198.415 53.9078 -64.6608 157.44 -198.415 157.439 -84.21 GPRESSURE: 4777600 486.846 24.8971 -290.791 92.0628 -22.0418 160.822 -55.4827 155.405 -119.591 PRESSAVG: 4777600 96.2662 4.22397 -41.3341 4.22393 -54.545 53.9664 -41.3341 53.9664 4.99501 GPRESSAVG: 4777600 96.704 2.52618 -42.45 5.26907 -54.6452 52.8163 -38.7931 52.5582 4.4166 TIMING: 4777600 CPU: 15183.9, 0.00318781/step Wall: 15183.9, 0.00318781/step, 0.196936 hours remaining, 237.187500 MB of memory in use. ENERGY: 4777600 3966.1245 20454.2221 14376.5979 247.8138 -203562.4709 2478.3513 0.0000 0.0000 52026.9962 -110012.3651 298.9999 -162039.3613 -109657.2080 297.8904 87.2373 115.0709 760327.7149 15.5721 15.4918 PRESSURE: 4777800 152.724 176.038 110.702 176.037 -332.133 -139.612 110.701 -139.612 -136.134 GPRESSURE: 4777800 114.43 229.475 17.9616 44.2523 -313.223 -92.8899 95.4146 -98.1961 -52.988 PRESSAVG: 4777800 58.98 13.4437 16.7313 13.4437 -35.307 -28.1232 16.7313 -28.1232 -6.56178 GPRESSAVG: 4777800 60.6284 14.7395 15.7685 12.4405 -35.7476 -26.5893 16.5672 -28.2923 -7.7262 TIMING: 4777800 CPU: 15184.6, 0.00319804/step Wall: 15184.6, 0.00319804/step, 0.19739 hours remaining, 237.187500 MB of memory in use. ENERGY: 4777800 3967.6057 20557.6502 14407.8437 247.4145 -203389.6723 2480.6361 0.0000 0.0000 51836.6305 -109891.8914 297.9058 -161728.5220 -109543.3954 298.1772 -105.1807 -83.9268 760360.0788 5.7037 5.7182 PRESSURE: 4778000 -11.518 66.9286 96.6715 66.9281 172.843 298.446 96.671 298.445 101.347 GPRESSURE: 4778000 135.091 30.2939 136.73 67.6721 169.131 307.065 84.8055 196.453 29.9689 PRESSAVG: 4778000 42.8662 11.9873 85.2164 11.9873 -36.1462 27.8834 85.2164 27.8835 10.0299 GPRESSAVG: 4778000 41.05 10.1496 86.7359 11.5879 -35.1178 28.4456 85.0262 26.9825 10.7077 TIMING: 4778000 CPU: 15185.2, 0.0031934/step Wall: 15185.2, 0.0031934/step, 0.196927 hours remaining, 237.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4778000 3958.0998 20404.6782 14416.2415 244.8068 -203540.5810 2469.2029 0.0000 0.0000 51907.5823 -110139.9694 298.3136 -162047.5517 -109779.4494 297.9203 87.5573 111.3971 760895.5381 5.5833 5.5466 PRESSURE: 4778200 -108.611 -93.1643 91.354 -93.1637 -296.66 -216.175 91.3551 -216.175 16.3718 GPRESSURE: 4778200 -42.2682 -7.71112 200.257 -83.6315 -287.593 -94.1359 82.4845 -90.6218 37.4797 PRESSAVG: 4778200 2.13332 35.6004 40.3701 35.6003 16.582 -37.8589 40.3702 -37.859 4.13445 GPRESSAVG: 4778200 3.23263 36.7941 39.9953 36.6463 15.4329 -37.6715 40.3984 -37.4759 3.34232 TIMING: 4778200 CPU: 15185.9, 0.00318833/step Wall: 15185.9, 0.00318833/step, 0.196437 hours remaining, 237.187500 MB of memory in use. ENERGY: 4778200 4041.3354 20359.1161 14412.6936 258.6497 -203183.9658 2306.7755 0.0000 0.0000 51724.2479 -110081.1476 297.2600 -161805.3955 -109721.8345 298.1004 -129.6332 -97.4606 761931.1381 7.6166 7.3360 PRESSURE: 4778400 313.486 -0.180218 -223.198 -0.180322 343.881 -164.222 -223.199 -164.223 195.294 GPRESSURE: 4778400 340.748 10.8802 -168.234 83.1174 420.321 -231.009 -245.805 -224.041 183.753 PRESSAVG: 4778400 47.2719 36.9682 -3.64053 36.9682 -32.456 -15.3216 -3.6405 -15.3215 11.691 GPRESSAVG: 4778400 45.7318 34.8514 -1.8796 38.1798 -31.7738 -17.2988 -4.96948 -13.659 12.3197 TIMING: 4778400 CPU: 15186.5, 0.00318557/step Wall: 15186.5, 0.00318557/step, 0.196089 hours remaining, 237.187500 MB of memory in use. ENERGY: 4778400 3935.2641 20351.2737 14438.4511 250.1850 -203612.1503 2989.7375 0.0000 0.0000 51826.4026 -109820.8363 297.8470 -161647.2388 -109462.3453 297.8074 284.2206 314.9406 761914.4297 8.8356 8.7593 PRESSURE: 4778600 80.8901 -126.808 -77.2583 -126.808 153.009 -130.681 -77.2584 -130.681 -1.93726 GPRESSURE: 4778600 148.713 -105.632 -158.337 -130.912 239.704 -189.375 -111.424 -167.417 -72.0424 PRESSAVG: 4778600 10.3896 -50.7453 -20.1214 -50.7452 -32.4467 -13.1313 -20.1213 -13.1314 -3.68381 GPRESSAVG: 4778600 9.72359 -50.1534 -20.9553 -52.447 -31.7883 -11.6015 -19.2405 -15.552 -4.10709 TIMING: 4778600 CPU: 15187.1, 0.00318679/step Wall: 15187.1, 0.00318679/step, 0.195988 hours remaining, 237.187500 MB of memory in use. ENERGY: 4778600 3941.7065 20476.1492 14332.5488 231.8283 -203625.6912 2693.8293 0.0000 0.0000 52020.5599 -109929.0692 298.9629 -161949.6291 -109565.8372 298.3275 77.3206 105.4584 762447.1396 -8.5803 -8.7239 PRESSURE: 4778800 -166.923 -113.366 -57.1082 -113.367 -276.134 49.0361 -57.1081 49.0367 -476.863 GPRESSURE: 4778800 -204.751 -22.7213 -56.6128 -178.63 -226.718 86.9684 -47.8884 41.1399 -395.734 PRESSAVG: 4778800 49.8823 -18.8404 -32.128 -18.8404 -11.6807 -20.9687 -32.128 -20.9687 -17.2534 GPRESSAVG: 4778800 51.4238 -19.2972 -32.8005 -18.3402 -12.4709 -22.2733 -31.8427 -19.8531 -18.041 TIMING: 4778800 CPU: 15187.8, 0.00317861/step Wall: 15187.8, 0.00317861/step, 0.195308 hours remaining, 237.187500 MB of memory in use. ENERGY: 4778800 4051.3798 20430.5618 14418.0004 253.3003 -203415.8593 2347.3344 0.0000 0.0000 52187.5624 -109727.7201 299.9226 -161915.2825 -109360.0638 298.6133 -306.6399 -275.7346 761730.1254 6.9827 6.9706 PRESSURE: 4779000 16.2784 -69.6876 5.87173 -69.6869 -139.42 65.1725 5.8708 65.1738 -5.53293 GPRESSURE: 4779000 106.457 -10.2559 57.5371 -41.6212 -62.8334 155.691 -180.834 79.0326 -78.7629 PRESSAVG: 4779000 28.3799 -31.7183 -34.9949 -31.7183 -8.71043 -4.39945 -34.9949 -4.39943 8.22723 GPRESSAVG: 4779000 28.3417 -30.7689 -34.5027 -33.3179 -8.56229 -2.6018 -36.101 -6.05315 8.94095 TIMING: 4779000 CPU: 15188.4, 0.0031783/step Wall: 15188.4, 0.0031783/step, 0.195113 hours remaining, 237.187500 MB of memory in use. ENERGY: 4779000 3973.5126 20537.1997 14481.5108 238.9030 -203158.4345 2510.5301 0.0000 0.0000 51863.3039 -109553.4746 298.0591 -161416.7785 -109195.4023 298.7168 -42.8914 -11.7132 760892.4851 9.2989 9.5735 PRESSURE: 4779200 -208.281 -128.931 100.686 -128.932 -108.545 -120.306 100.685 -120.307 39.8507 GPRESSURE: 4779200 -144.801 18.7887 -3.53244 -206.038 -114.687 -148.585 -30.7786 -61.1464 50.661 PRESSAVG: 4779200 12.6041 -22.0331 -4.22155 -22.0331 16.3891 -23.9314 -4.22152 -23.9314 12.8535 GPRESSAVG: 4779200 13.1421 -21.9477 -3.71315 -20.2645 15.1843 -25.6888 -6.83707 -22.7581 13.4475 TIMING: 4779200 CPU: 15189, 0.00318351/step Wall: 15189, 0.00318351/step, 0.195255 hours remaining, 237.187500 MB of memory in use. ENERGY: 4779200 4012.1768 20530.3049 14498.1019 227.9418 -203394.5951 2507.0621 0.0000 0.0000 52014.4159 -109604.5917 298.9276 -161619.0075 -109248.3166 299.3755 -92.3251 -69.6091 761701.3756 13.9489 13.9246 PRESSURE: 4779400 122.471 -38.5223 -106.484 -38.5223 34.4501 -73.3094 -106.484 -73.31 -21.4783 GPRESSURE: 4779400 164.026 -83.0152 -4.09469 6.20499 57.3308 -35.1059 -6.60615 -30.9618 6.65265 PRESSAVG: 4779400 20.4775 -5.78248 46.0286 -5.78253 -41.6915 -37.9679 46.0286 -37.968 11.2549 GPRESSAVG: 4779400 22.2195 -5.72248 44.4941 -4.34561 -42.0208 -37.4964 48.128 -37.877 9.77673 TIMING: 4779400 CPU: 15189.7, 0.00316946/step Wall: 15189.7, 0.00316946/step, 0.194217 hours remaining, 237.187500 MB of memory in use. ENERGY: 4779400 3966.0633 20552.0487 14433.0675 250.0203 -203494.4622 2790.0168 0.0000 0.0000 51705.5888 -109797.6568 297.1527 -161503.2456 -109440.0874 299.1363 45.1476 76.0031 761663.4761 -3.3197 -3.3415 PRESSURE: 4779600 43.9848 -45.9234 -149.112 -45.9236 68.4707 349.729 -149.112 349.728 -6.16631 GPRESSURE: 4779600 91.6017 -64.1702 -173.996 14.1717 98.3468 442.511 -162.278 198.247 -9.61803 PRESSAVG: 4779600 59.8518 6.77786 -53.1416 6.77787 -22.7977 21.1495 -53.1416 21.1495 2.69881 GPRESSAVG: 4779600 56.813 6.75946 -52.8134 6.25652 -20.9815 22.0079 -52.2258 21.8077 3.35251 TIMING: 4779600 CPU: 15190.3, 0.0031973/step Wall: 15190.3, 0.0031973/step, 0.195746 hours remaining, 237.187500 MB of memory in use. ENERGY: 4779600 3972.7238 20540.0182 14448.0288 251.1455 -203443.7600 2600.8352 0.0000 0.0000 51900.8660 -109730.1425 298.2750 -161631.0085 -109371.9957 299.1655 35.4297 60.1101 762570.2570 13.2510 13.0613 PRESSURE: 4779800 -324.813 2.11729 163.883 2.11741 -229.795 66.8889 163.883 66.8883 51.3822 GPRESSURE: 4779800 -298.044 -11.0608 180.443 111.519 -153.764 38.4318 183.791 -38.1766 35.7735 PRESSAVG: 4779800 96.9831 -9.43254 -8.09971 -9.43255 -88.1212 -22.8954 -8.09965 -22.8954 3.86804 GPRESSAVG: 4779800 98.4624 -9.31862 -6.99033 -10.5289 -89.2785 -23.3159 -8.74515 -24.3571 3.4213 TIMING: 4779800 CPU: 15190.9, 0.00318629/step Wall: 15190.9, 0.00318629/step, 0.194895 hours remaining, 237.187500 MB of memory in use. ENERGY: 4779800 4004.7900 20536.1952 14440.6664 223.2149 -203315.7364 2422.2576 0.0000 0.0000 51865.8919 -109822.7203 298.0740 -161688.6121 -109476.8714 298.6117 -167.7419 -138.6783 763771.7291 4.2433 4.2017 PRESSURE: 4780000 -171.396 -184.033 259.171 -184.033 -54.1122 -87.2184 259.17 -87.2188 180.995 GPRESSURE: 4780000 -168.461 -273.427 260.574 -141.384 -22.0436 -108.935 129.586 -26.7425 224.876 PRESSAVG: 4780000 66.6222 -26.7518 -21.801 -26.7518 -82.3368 -20.9901 -21.801 -20.9902 -8.739 GPRESSAVG: 4780000 65.648 -27.0542 -23.0427 -26.3241 -83.1185 -20.5649 -22.5574 -22.1927 -6.96854 TIMING: 4780000 CPU: 15191.6, 0.00318307/step Wall: 15191.6, 0.00318306/step, 0.194521 hours remaining, 237.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4780000 4011.2186 20547.4000 14403.6035 246.9576 -203687.3993 2743.0971 0.0000 0.0000 51965.3521 -109769.7705 298.6456 -161735.1226 -109406.0634 298.7636 -14.8378 11.4573 761361.1447 -8.1512 -8.1464 PRESSURE: 4780200 -348.728 -194.816 111.83 -194.815 -444.271 -144.678 111.831 -144.678 -33.9879 GPRESSURE: 4780200 -264.187 -73.9758 141.623 -155.983 -432.386 -39.1353 170.593 -54.8948 -60.8179 PRESSAVG: 4780200 9.09446 -66.2905 23.7546 -66.2905 -5.16702 -41.0833 23.7547 -41.0833 37.1549 GPRESSAVG: 4780200 10.1132 -65.9192 22.5814 -66.7298 -4.72309 -41.1849 26.5555 -41.0242 35.6424 TIMING: 4780200 CPU: 15192.2, 0.00315975/step Wall: 15192.2, 0.00315975/step, 0.19292 hours remaining, 237.187500 MB of memory in use. ENERGY: 4780200 4015.0974 20615.2283 14410.2377 245.7479 -203254.8922 2537.4116 0.0000 0.0000 51933.2092 -109497.9601 298.4609 -161431.1693 -109150.8622 299.2977 -275.6622 -252.4638 763603.4256 13.6941 13.6775 LDB: ============= START OF LOAD BALANCING ============== 15204.6 LDB: ============== END OF LOAD BALANCING =============== 15204.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15204.6 LDB: ============= START OF LOAD BALANCING ============== 15204.9 LDB: Largest compute 7026 load 0.033452 is 17.1% of average load 0.196056 LDB: Average compute 0.004392 is 2.2% of average load 0.196056 LDB: TIME 15204.9 LOAD: AVG 0.196056 MAX 0.220874 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.473 MB LDB: TIME 15204.9 LOAD: AVG 0.196056 MAX 0.220874 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.586 MB LDB: TIME 15204.9 LOAD: AVG 0.196056 MAX 0.220874 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15204.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15204.9 PRESSURE: 4780400 -20.2861 236.894 -43.3146 236.894 185.574 -157.188 -43.315 -157.188 455.443 GPRESSURE: 4780400 75.4029 273.701 38.1819 264.533 150.72 -136.2 -113.012 -172.208 493.274 PRESSAVG: 4780400 47.453 -11.521 70.691 -11.521 -59.0391 -69.5894 70.691 -69.5894 -4.78264 GPRESSAVG: 4780400 47.7878 -10.159 73.6537 -11.0647 -58.7488 -67.6307 69.804 -69.338 -4.35925 TIMING: 4780400 CPU: 15192.9, 0.00325009/step Wall: 15192.9, 0.00325009/step, 0.198256 hours remaining, 237.902344 MB of memory in use. ENERGY: 4780400 3941.1560 20590.6250 14383.7524 248.9700 -203718.8510 2919.2449 0.0000 0.0000 52002.2183 -109632.8846 298.8575 -161635.1028 -109277.2120 299.2049 206.9102 239.7990 760845.2978 -5.4562 -5.1068 PRESSURE: 4780600 123.406 -43.3578 44.8555 -43.3576 -72.8139 96.9624 44.8557 96.9611 -4.52243 GPRESSURE: 4780600 79.2978 23.8162 4.44366 15.0305 0.0970261 61.9045 68.0396 0.148969 67.2308 PRESSAVG: 4780600 79.2761 -3.81346 9.59602 -3.81348 -75.3731 -33.5251 9.59611 -33.525 21.0374 GPRESSAVG: 4780600 78.3498 -6.25217 8.36167 -3.85512 -75.0883 -35.4328 9.26823 -34.0534 21.7884 TIMING: 4780600 CPU: 15193.5, 0.00316956/step Wall: 15193.5, 0.00316956/step, 0.193167 hours remaining, 238.105469 MB of memory in use. ENERGY: 4780600 3977.5759 20643.3419 14391.9490 223.2638 -203479.6757 2527.8303 0.0000 0.0000 52057.7808 -109657.9341 299.1768 -161715.7149 -109294.7351 299.0303 15.3566 48.8752 760649.6450 8.3135 8.3500 PRESSURE: 4780800 -73.5188 30.9142 75.5243 30.9134 127.454 -68.983 75.5251 -68.983 311.893 GPRESSURE: 4780800 49.522 31.5027 44.6963 23.8708 123.681 -69.1945 -143.964 -28.9071 284.676 PRESSAVG: 4780800 69.0959 -4.04331 43.3649 -4.04335 -11.8017 -37.0783 43.3649 -37.0783 8.73645 GPRESSAVG: 4780800 68.9269 -6.12004 43.7964 -3.89589 -11.8543 -35.311 41.2788 -38.4643 8.44582 TIMING: 4780800 CPU: 15194.1, 0.00316525/step Wall: 15194.1, 0.00316525/step, 0.192729 hours remaining, 238.105469 MB of memory in use. ENERGY: 4780800 4000.2217 20560.5934 14438.5614 228.6041 -203364.6022 2634.0056 0.0000 0.0000 51859.8347 -109642.7813 298.0392 -161502.6160 -109273.3980 299.1643 121.9430 152.6264 761145.5261 22.0102 21.8395 PRESSURE: 4781000 -336.984 -64.672 15.2758 -64.6722 -278.789 85.8982 15.2761 85.8986 -304.394 GPRESSURE: 4781000 -382.401 -137.661 -21.9097 -23.0862 -233.444 131.95 106.502 28.7726 -221.881 PRESSAVG: 4781000 59.6863 -49.6083 25.287 -49.6082 -3.567 17.0906 25.287 17.0906 11.587 GPRESSAVG: 4781000 59.9274 -48.024 22.7032 -50.3233 -3.51833 16.001 27.6106 19.9291 11.5161 TIMING: 4781000 CPU: 15194.8, 0.00316309/step Wall: 15194.8, 0.00316309/step, 0.192421 hours remaining, 238.105469 MB of memory in use. ENERGY: 4781000 4019.1880 20651.9187 14352.5659 246.9264 -203268.2990 2452.6802 0.0000 0.0000 51858.9304 -109686.0894 298.0340 -161545.0198 -109330.1204 298.9826 -306.7224 -279.2419 762834.2507 22.5688 22.6417 PRESSURE: 4781200 137.662 -159.551 -89.6027 -159.551 209.373 -79.6492 -89.6024 -79.6498 176.62 GPRESSURE: 4781200 245.07 -309.194 -61.2328 60.114 181.718 -118.622 -34.2703 -26.6159 182.398 PRESSAVG: 4781200 34.8177 -25.6349 28.2032 -25.6349 -34.6066 -39.6295 28.2032 -39.6295 22.5318 GPRESSAVG: 4781200 35.6316 -24.1884 31.1051 -25.8261 -35.4128 -40.981 26.8069 -39.6191 22.2625 TIMING: 4781200 CPU: 15195.4, 0.00316732/step Wall: 15195.4, 0.00316732/step, 0.192503 hours remaining, 238.105469 MB of memory in use. ENERGY: 4781200 4024.0557 20427.2791 14402.0592 250.3415 -203712.2161 2817.7359 0.0000 0.0000 52041.7496 -109748.9950 299.0847 -161790.7447 -109384.1322 298.5448 174.5520 203.0623 759686.1233 7.5809 7.4938 PRESSURE: 4781400 102.33 -96.9041 178.002 -96.9041 74.5567 2.71295 178.002 2.7143 244.526 GPRESSURE: 4781400 131.764 -98.8354 133.452 -120.37 72.9287 -16.6368 136.858 -89.713 316.521 PRESSAVG: 4781400 113.247 -38.8921 24.7977 -38.8921 -60.8247 -48.1473 24.7978 -48.1473 -26.9742 GPRESSAVG: 4781400 111.616 -39.2446 23.5378 -36.9169 -59.8579 -47.6055 26.6356 -48.5261 -26.2305 TIMING: 4781400 CPU: 15196, 0.00316181/step Wall: 15196, 0.00316181/step, 0.191992 hours remaining, 238.105469 MB of memory in use. ENERGY: 4781400 3993.3794 20484.7924 14414.3657 260.6371 -203401.8528 2691.3358 0.0000 0.0000 52157.8454 -109399.4969 299.7519 -161557.3423 -109034.7213 299.0891 140.4709 173.7377 760239.4154 8.4828 8.5091 PRESSURE: 4781600 -21.9869 89.3563 -158.139 89.3563 61.8872 139.113 -158.138 139.113 192.3 GPRESSURE: 4781600 42.5752 42.8512 -116.871 64.3616 16.8646 121.532 -112.268 244.436 243.554 PRESSAVG: 4781600 58.6173 5.39902 -5.55515 5.39909 -45.5514 -45.3372 -5.55514 -45.3372 15.7431 GPRESSAVG: 4781600 59.398 4.26887 -5.10569 4.15044 -45.8108 -43.4971 -6.28091 -45.588 14.8452 TIMING: 4781600 CPU: 15196.7, 0.00317223/step Wall: 15196.7, 0.00317223/step, 0.192448 hours remaining, 238.105469 MB of memory in use. ENERGY: 4781600 3977.9539 20412.5288 14436.2139 244.9811 -203035.4331 2426.5192 0.0000 0.0000 51987.8714 -109549.3648 298.7750 -161537.2362 -109184.3840 299.2646 77.4002 100.9981 759732.0590 9.6030 9.4775 PRESSURE: 4781800 62.2563 -191.384 121.538 -191.383 -329.048 -10.2225 121.537 -10.2224 266.088 GPRESSURE: 4781800 112.728 -108.422 170.313 -146.458 -336.327 -74.9779 63.5222 -30.9634 328.875 PRESSAVG: 4781800 41.4792 -49.2987 -36.0541 -49.2987 -51.8567 20.1082 -36.0541 20.1082 12.5135 GPRESSAVG: 4781800 41.1558 -48.5952 -37.5267 -50.0151 -51.3912 19.5222 -35.624 17.8444 11.9952 TIMING: 4781800 CPU: 15197.3, 0.00317189/step Wall: 15197.3, 0.00317189/step, 0.192252 hours remaining, 238.105469 MB of memory in use. ENERGY: 4781800 3966.1609 20425.8072 14425.4944 261.5002 -203274.9677 2647.2711 0.0000 0.0000 52150.8347 -109397.8993 299.7116 -161548.7340 -109036.4274 298.8615 -0.2346 35.0922 760524.4593 0.7120 0.5866 PRESSURE: 4782000 78.2915 106.235 -74.2914 106.235 331.234 -2.6519 -74.2912 -2.65323 146.472 GPRESSURE: 4782000 137.145 168.595 -62.8895 135.457 317.413 35.1178 -67.622 122.733 166.943 PRESSAVG: 4782000 -7.76134 -34.8459 25.6247 -34.8459 -6.59219 -29.5601 25.6246 -29.5601 15.013 GPRESSAVG: 4782000 -7.28604 -33.9437 27.0167 -33.8981 -7.43238 -29.7455 25.592 -29.5543 15.4723 TIMING: 4782000 CPU: 15197.9, 0.00314504/step Wall: 15197.9, 0.00314504/step, 0.19045 hours remaining, 238.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4782000 4002.1390 20336.2755 14434.6538 252.4866 -203378.5879 2714.5506 0.0000 0.0000 52055.7627 -109582.7197 299.1652 -161638.4824 -109225.4100 299.3453 185.3327 207.1671 758262.2547 0.2198 0.2513 PRESSURE: 4782200 18.8419 49.4466 11.0975 49.4461 22.1541 -23.1517 11.0977 -23.1515 -140.366 GPRESSURE: 4782200 23.4526 34.7548 1.47501 45.9099 112.636 -61.3665 -63.7394 -71.8173 -161.09 PRESSAVG: 4782200 55.9801 -27.2274 8.93854 -27.2274 -10.8444 -18.2137 8.93853 -18.2138 -10.2113 GPRESSAVG: 4782200 55.0366 -28.2624 8.98699 -26.5849 -10.5216 -18.2712 9.87544 -16.8677 -9.67723 TIMING: 4782200 CPU: 15198.6, 0.00315242/step Wall: 15198.6, 0.00315242/step, 0.190721 hours remaining, 238.105469 MB of memory in use. ENERGY: 4782200 4000.9335 20552.1101 14474.2209 231.2589 -203496.5395 2613.6286 0.0000 0.0000 51996.4777 -109627.9099 298.8245 -161624.3876 -109271.3811 298.9741 -33.1232 -8.3338 758069.4570 11.6415 11.6126 PRESSURE: 4782400 -61.6357 -284.386 65.1793 -284.386 -112.759 2.57329 65.179 2.57419 211.633 GPRESSURE: 4782400 -77.2967 -307.172 23.6355 -354.63 -111.302 4.53771 45.3196 183.748 297.603 PRESSAVG: 4782400 92.9931 -38.6665 3.11518 -38.6665 -50.9723 10.2204 3.11518 10.2204 -0.869961 GPRESSAVG: 4782400 93.4337 -38.5131 1.81703 -41.3707 -50.587 9.13417 1.11871 11.8557 -1.84421 TIMING: 4782400 CPU: 15199.2, 0.00316567/step Wall: 15199.2, 0.00316567/step, 0.191347 hours remaining, 238.105469 MB of memory in use. ENERGY: 4782400 4034.5938 20570.6522 14433.5781 259.1551 -203448.3095 2567.7210 0.0000 0.0000 52171.8972 -109410.7122 299.8326 -161582.6094 -109060.6849 299.9232 12.4130 36.3349 757567.0917 13.7169 13.6675 PRESSURE: 4782600 -74.8216 83.5249 -148.129 83.5242 -302.391 -102.473 -148.129 -102.473 -115.636 GPRESSURE: 4782600 -0.862429 -7.7823 -194.878 80.5184 -348.723 -91.96 -101.707 -71.2624 -62.6602 PRESSAVG: 4782600 34.7639 -31.2871 -28.8502 -31.2871 14.54 -11.4231 -28.8502 -11.423 -4.75393 GPRESSAVG: 4782600 34.5413 -32.0147 -28.9307 -28.7638 13.8518 -10.1349 -27.6111 -13.1543 -4.36108 TIMING: 4782600 CPU: 15199.8, 0.00314696/step Wall: 15199.8, 0.00314696/step, 0.190041 hours remaining, 238.105469 MB of memory in use. ENERGY: 4782600 3947.1623 20492.7596 14444.2006 259.3729 -203413.3846 2729.3947 0.0000 0.0000 52237.3061 -109303.1885 300.2085 -161540.4946 -108937.6073 299.9793 -164.2828 -137.4154 761187.2051 14.8500 14.6774 PRESSURE: 4782800 -162.468 -116.508 72.6928 -116.509 -116.427 -82.7635 72.6939 -82.7631 -2.95988 GPRESSURE: 4782800 -152.848 -110.966 51.0043 -164.967 -72.2135 -49.2881 -41.353 -185.289 30.0382 PRESSAVG: 4782800 24.5698 1.23163 -5.82781 1.23164 -10.4478 7.94866 -5.82781 7.94868 20.3281 GPRESSAVG: 4782800 25.9524 1.3711 -6.25115 1.15266 -11.1784 6.19178 -7.00129 8.01449 19.6472 TIMING: 4782800 CPU: 15200.4, 0.00314258/step Wall: 15200.4, 0.00314258/step, 0.189603 hours remaining, 238.105469 MB of memory in use. ENERGY: 4782800 4030.5679 20443.0964 14478.1881 258.6512 -203432.3749 2665.7944 0.0000 0.0000 52183.6113 -109372.4656 299.8999 -161556.0769 -109010.4300 300.2441 -93.9515 -65.0078 759727.6897 11.4834 11.4737 PRESSURE: 4783000 -209.833 100.552 34.2536 100.552 -93.9306 51.7138 34.2533 51.7137 -231.677 GPRESSURE: 4783000 -147.903 -6.19916 61.0259 186.626 -99.8022 6.20012 -86.4717 138.505 -208.374 PRESSAVG: 4783000 54.0116 -56.2929 32.7476 -56.2929 -40.7724 -45.6012 32.7476 -45.6012 -15.7158 GPRESSAVG: 4783000 53.2765 -56.8901 33.0964 -56.2243 -41.0408 -46.0009 32.1228 -43.6874 -14.9131 TIMING: 4783000 CPU: 15201.1, 0.00317053/step Wall: 15201.1, 0.00317053/step, 0.191113 hours remaining, 238.105469 MB of memory in use. ENERGY: 4783000 3998.2167 20602.6042 14433.9751 270.3168 -203199.8179 2552.1914 0.0000 0.0000 51771.6829 -109570.8308 297.5326 -161342.5137 -109209.7376 299.5534 -178.4799 -152.0262 762332.4437 -0.8255 -0.8924 PRESSURE: 4783200 352.674 81.2711 -153.425 81.2715 174.706 -185.41 -153.426 -185.408 123.185 GPRESSURE: 4783200 400.725 -0.0850938 -35.3625 44.529 147.69 -262.084 -217.93 -89.7512 176.548 PRESSAVG: 4783200 5.8009 -39.9582 -19.099 -39.9582 -48.217 32.8675 -19.099 32.8675 7.67176 GPRESSAVG: 4783200 4.88635 -38.9205 -19.1675 -40.385 -47.5057 34.2023 -19.0115 32.978 7.90028 TIMING: 4783200 CPU: 15201.7, 0.00314393/step Wall: 15201.7, 0.00314393/step, 0.189334 hours remaining, 238.105469 MB of memory in use. ENERGY: 4783200 3904.4749 20648.8088 14436.9349 229.5377 -203506.0859 3041.2814 0.0000 0.0000 51810.2862 -109434.7621 297.7544 -161245.0483 -109073.2549 298.8418 216.8548 241.6542 764247.6094 -11.5814 -11.5730 PRESSURE: 4783400 -45.5239 16.1916 183.05 16.192 245.788 -85.9517 183.05 -85.9521 126.15 GPRESSURE: 4783400 -5.80819 27.7963 135.967 -15.3633 199.304 -133.028 248.902 -77.1243 205.755 PRESSAVG: 4783400 15.5442 -18.4066 49.5626 -18.4067 -25.3393 1.25624 49.5627 1.25632 -11.907 GPRESSAVG: 4783400 16.2975 -19.2456 50.6568 -19.4201 -26.475 0.245169 50.8776 -0.908696 -11.3201 TIMING: 4783400 CPU: 15202.3, 0.0031314/step Wall: 15202.3, 0.0031314/step, 0.188406 hours remaining, 238.105469 MB of memory in use. ENERGY: 4783400 3949.4795 20731.6752 14470.8125 250.9780 -203556.2886 2765.5638 0.0000 0.0000 51985.4983 -109402.2813 298.7614 -161387.7797 -109053.4409 299.1727 108.8049 133.0837 763150.3870 -7.2340 -7.1659 PRESSURE: 4783600 320.908 -91.3802 98.7886 -91.3804 -119.052 -24.4457 98.7884 -24.4467 -137.115 GPRESSURE: 4783600 359.582 -135.555 17.0701 -172.478 -64.3661 -46.7028 -1.11108 51.9541 -133.672 PRESSAVG: 4783600 52.9502 5.85564 35.0469 5.85565 -80.6982 -22.4055 35.0468 -22.4056 9.00498 GPRESSAVG: 4783600 53.9641 5.2766 34.7774 7.2612 -80.4284 -21.9421 34.4808 -22.7008 7.87729 TIMING: 4783600 CPU: 15203, 0.00314722/step Wall: 15203, 0.00314722/step, 0.189183 hours remaining, 238.105469 MB of memory in use. ENERGY: 4783600 4002.8239 20455.3410 14443.4405 244.3280 -203936.3155 2831.4850 0.0000 0.0000 52194.2823 -109764.6148 299.9613 -161958.8971 -109386.6871 299.4887 21.5803 53.8480 760627.4633 -6.2477 -6.1957 PRESSURE: 4783800 101.845 -114.624 164.508 -114.624 52.5929 -57.6935 164.508 -57.6925 3.62589 GPRESSURE: 4783800 98.056 -165.499 184.568 -77.2346 118.484 -38.3917 239.929 56.9613 4.43759 PRESSAVG: 4783800 -19.7009 6.11215 26.3179 6.11211 1.32601 -25.575 26.3179 -25.575 -4.38158 GPRESSAVG: 4783800 -21.3795 4.87115 26.4349 5.19304 3.121 -26.7388 26.2464 -22.5429 -5.24444 TIMING: 4783800 CPU: 15203.6, 0.00312987/step Wall: 15203.6, 0.00312987/step, 0.187966 hours remaining, 238.105469 MB of memory in use. ENERGY: 4783800 3912.0127 20509.5873 14434.2484 251.0887 -203653.9763 2670.4944 0.0000 0.0000 52239.3630 -109637.1818 300.2203 -161876.5448 -109271.2380 299.2939 52.6879 73.6592 761133.0499 -7.5855 -7.8343 PRESSURE: 4784000 -269.397 -38.8673 -11.7435 -38.8671 251.344 -99.7206 -11.7441 -99.7211 -3.78937 GPRESSURE: 4784000 -128.942 23.1264 42.5331 -27.4895 234.985 -206.299 2.50729 -150.368 -7.89748 PRESSAVG: 4784000 5.19103 -53.6458 31.9979 -53.6458 4.0237 4.12239 31.9978 4.12232 2.12746 GPRESSAVG: 4784000 5.23551 -52.1958 31.3654 -53.404 2.56461 2.72388 33.1964 5.02841 4.06325 TIMING: 4784000 CPU: 15204.2, 0.00315414/step Wall: 15204.2, 0.00315414/step, 0.189248 hours remaining, 238.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4784000 4023.2357 20499.1245 14441.1984 231.5737 -203467.1343 2608.9613 0.0000 0.0000 51968.1062 -109694.9345 298.6614 -161663.0407 -109333.3188 299.0960 -7.2806 32.7152 761643.9296 3.7807 3.9545 PRESSURE: 4784200 22.6996 -34.9524 54.4592 -34.9534 -68.4904 -48.1875 54.4597 -48.1872 177.288 GPRESSURE: 4784200 118.224 37.4685 26.0191 -41.1509 -46.8607 -85.3369 140.583 -72.9116 136.149 PRESSAVG: 4784200 3.96333 -29.0568 -70.7416 -29.0568 -17.3605 -28.2565 -70.7416 -28.2565 -12.0799 GPRESSAVG: 4784200 4.81359 -28.9756 -69.8629 -31.0162 -15.5761 -25.6112 -73.2483 -31.0699 -14.519 TIMING: 4784200 CPU: 15204.9, 0.00317291/step Wall: 15204.9, 0.00317291/step, 0.190198 hours remaining, 238.105469 MB of memory in use. ENERGY: 4784200 3921.8713 20425.2653 14431.9365 249.2973 -203482.3006 2635.9586 0.0000 0.0000 52323.3439 -109494.6277 300.7030 -161817.9716 -109121.0553 299.3543 43.8324 69.1708 760392.1140 -8.4923 -8.4272 LDB: ============= START OF LOAD BALANCING ============== 15217.3 LDB: ============== END OF LOAD BALANCING =============== 15217.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15217.3 LDB: ============= START OF LOAD BALANCING ============== 15217.6 LDB: Largest compute 7078 load 0.033202 is 16.9% of average load 0.196021 LDB: Average compute 0.004377 is 2.2% of average load 0.196021 LDB: TIME 15217.6 LOAD: AVG 0.196021 MAX 0.221861 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 15217.6 LOAD: AVG 0.196021 MAX 0.221861 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 15217.6 LOAD: AVG 0.196021 MAX 0.221861 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15217.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15217.6 PRESSURE: 4784400 294.445 -107.169 177.656 -107.169 312.14 37.402 177.657 37.4018 600.868 GPRESSURE: 4784400 410.161 -84.9387 132.354 -70.4981 239.073 -41.4712 80.7531 -34.6118 654.971 PRESSAVG: 4784400 41.211 -33.569 -48.6848 -33.569 -21.6786 10.4489 -48.6848 10.449 -0.239735 GPRESSAVG: 4784400 40.7042 -36.1782 -47.9728 -31.503 -22.4925 10.4417 -47.8799 9.10217 0.550697 TIMING: 4784400 CPU: 15205.5, 0.00322002/step Wall: 15205.5, 0.00322002/step, 0.192844 hours remaining, 238.613281 MB of memory in use. ENERGY: 4784400 3991.2389 20563.2187 14420.5447 224.0546 -203813.7283 2938.9296 0.0000 0.0000 52322.2743 -109353.4674 300.6968 -161675.7417 -108983.7505 299.8625 402.4844 434.7351 760099.5395 6.4309 6.2541 PRESSURE: 4784600 214.249 -192.736 -67.387 -192.735 -159.822 -34.5316 -67.3862 -34.5316 200.828 GPRESSURE: 4784600 162.828 -173.044 -112.576 -83.0693 -24.349 -66.6854 -174.671 5.97285 205.94 PRESSAVG: 4784600 54.4864 -39.6214 47.3511 -39.6214 -55.7636 33.0828 47.3511 33.0828 8.77023 GPRESSAVG: 4784600 54.9213 -35.4736 47.1905 -39.3266 -56.3177 34.6923 48.032 33.6566 8.57 TIMING: 4784600 CPU: 15206.1, 0.00320839/step Wall: 15206.1, 0.00320839/step, 0.191969 hours remaining, 238.613281 MB of memory in use. ENERGY: 4784600 3987.4300 20615.4533 14414.7210 241.6366 -202914.8799 2222.3487 0.0000 0.0000 52126.1877 -109307.1025 299.5699 -161433.2902 -108948.2774 299.6080 85.0852 114.8060 759551.5077 2.4977 2.3912 PRESSURE: 4784800 37.7126 -272.459 184.221 -272.459 269.084 226.499 184.222 226.499 145.899 GPRESSURE: 4784800 155.644 -293.993 92.1025 -271.531 221.25 248.59 205.607 123.233 149.409 PRESSAVG: 4784800 24.5513 3.07057 33.411 3.07058 -5.44403 -4.14068 33.411 -4.14066 -7.07838 GPRESSAVG: 4784800 25.0497 0.254705 33.5065 2.11444 -6.02014 -5.22953 31.2122 -3.15186 -7.11141 TIMING: 4784800 CPU: 15206.8, 0.00320671/step Wall: 15206.8, 0.00320671/step, 0.19169 hours remaining, 238.613281 MB of memory in use. ENERGY: 4784800 3952.5538 20539.3196 14357.9963 242.4724 -203420.7838 2695.1418 0.0000 0.0000 52134.0602 -109499.2398 299.6152 -161633.3000 -109127.9998 299.1413 150.8985 175.4344 760126.3002 4.0096 3.9727 PRESSURE: 4785000 -69.014 134.562 48.2123 134.562 -302.182 -133.397 48.2122 -133.396 68.8092 GPRESSURE: 4785000 -0.0432532 162.704 88.4536 63.276 -247.711 -84.7333 23.7856 -134.05 35.008 PRESSAVG: 4785000 -5.46993 -41.2671 26.6951 -41.2671 -27.5556 36.1907 26.6951 36.1907 6.09774 GPRESSAVG: 4785000 -6.08766 -40.2749 26.8359 -40.5667 -26.307 37.7882 26.8699 33.6294 5.75112 TIMING: 4785000 CPU: 15207.4, 0.00322388/step Wall: 15207.4, 0.00322388/step, 0.192538 hours remaining, 238.613281 MB of memory in use. ENERGY: 4785000 3913.9897 20359.1150 14347.1078 251.9346 -203179.4773 2489.2115 0.0000 0.0000 52163.3663 -109654.7524 299.7836 -161818.1187 -109287.1865 299.0768 -100.7958 -70.9156 761055.6597 -8.9759 -8.8812 PRESSURE: 4785200 -149.843 -270.168 293.662 -270.167 -245.719 62.1322 293.662 62.1316 -67.498 GPRESSURE: 4785200 -57.8268 -271.73 212.987 -237.62 -242.324 -16.0084 127.833 140.726 -67.9543 PRESSAVG: 4785200 24.19 -58.2995 -41.5171 -58.2995 -36.9269 1.74871 -41.5171 1.74879 -8.99137 GPRESSAVG: 4785200 24.1878 -58.6215 -42.487 -58.1294 -37.6702 0.576479 -39.8945 5.02216 -8.10706 TIMING: 4785200 CPU: 15208.1, 0.00320211/step Wall: 15208.1, 0.00320211/step, 0.191059 hours remaining, 238.613281 MB of memory in use. ENERGY: 4785200 3969.2756 20552.6248 14418.2442 230.5988 -203074.0388 2557.6161 0.0000 0.0000 51914.8892 -109430.7900 298.3556 -161345.6792 -109078.1830 299.1259 -154.3533 -122.7017 761549.4914 -7.2428 -7.1965 PRESSURE: 4785400 -244.533 125.906 -94.2652 125.905 102.812 -289.29 -94.2657 -289.29 368.084 GPRESSURE: 4785400 -224.79 157.462 -163.957 131.579 146.154 -218.874 -167.776 -317.828 394.132 PRESSAVG: 4785400 43.7863 -62.1197 -47.1864 -62.1197 -82.2572 -16.2093 -47.1863 -16.2093 4.56927 GPRESSAVG: 4785400 43.3084 -62.2173 -46.7183 -62.8504 -81.5853 -15.444 -47.3235 -17.2041 4.13683 TIMING: 4785400 CPU: 15208.7, 0.00320996/step Wall: 15208.7, 0.00320996/step, 0.191349 hours remaining, 238.613281 MB of memory in use. ENERGY: 4785400 3903.9907 20518.5376 14445.3247 237.7302 -203183.3972 2550.0840 0.0000 0.0000 52067.3611 -109460.3688 299.2318 -161527.7300 -109098.3679 299.5386 75.4543 105.1653 760709.9148 -11.3005 -11.3800 PRESSURE: 4785600 -73.8803 -206.192 171.382 -206.192 -202.341 185.474 171.381 185.474 18.7392 GPRESSURE: 4785600 -32.0451 -234.53 136.673 -231.092 -241.881 169.099 96.3632 174.444 108.199 PRESSAVG: 4785600 33.3827 -46.7086 -79.4747 -46.7086 -57.9241 23.6241 -79.4746 23.624 2.18283 GPRESSAVG: 4785600 33.9076 -46.487 -79.215 -46.7559 -59.4042 23.3885 -80.2808 22.4926 2.93532 TIMING: 4785600 CPU: 15209.4, 0.00321011/step Wall: 15209.4, 0.00321011/step, 0.19118 hours remaining, 238.613281 MB of memory in use. ENERGY: 4785600 3975.8982 20616.7706 14365.6578 238.4522 -203148.6231 2443.2544 0.0000 0.0000 52098.7442 -109409.8457 299.4122 -161508.5899 -109046.4889 299.7559 -85.8272 -55.2425 761293.2891 -7.4529 -7.5204 PRESSURE: 4785800 -512.714 188.29 165.775 188.289 -39.5586 -14.4539 165.775 -14.4547 -493.042 GPRESSURE: 4785800 -371.582 161.563 101.003 135.627 -140.956 -27.88 58.1055 -54.6593 -437.018 PRESSAVG: 4785800 -13.4781 -37.0824 15.7822 -37.0824 -18.1521 23.5889 15.7823 23.5888 14.0101 GPRESSAVG: 4785800 -14.7075 -39.2249 15.0458 -36.96 -17.4966 23.1129 16.0786 25.357 14.4338 TIMING: 4785800 CPU: 15210, 0.00318869/step Wall: 15210, 0.00318869/step, 0.189727 hours remaining, 238.613281 MB of memory in use. ENERGY: 4785800 3944.4585 20556.6120 14399.8600 247.0709 -203081.2434 2406.3041 0.0000 0.0000 52077.6054 -109449.3325 299.2907 -161526.9379 -109084.1495 299.6369 -348.4383 -316.5185 761514.6518 -5.8733 -5.9234 PRESSURE: 4786000 -178.954 155.214 53.3242 155.214 -269.742 -94.047 53.324 -94.0488 -134.441 GPRESSURE: 4786000 -162.615 167.87 65.7762 71.2767 -220.435 -174.914 58.7396 -97.0342 -128.667 PRESSAVG: 4786000 64.023 -4.16613 26.5975 -4.16608 -36.9128 25.4031 26.5975 25.4031 -13.9108 GPRESSAVG: 4786000 65.3746 -1.98452 26.6772 -5.12625 -38.4255 24.6578 24.5666 24.5278 -13.5865 TIMING: 4786000 CPU: 15210.6, 0.00316343/step Wall: 15210.6, 0.00316343/step, 0.188048 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4786000 3973.3126 20565.5697 14428.6888 231.7742 -203356.2089 2635.0009 0.0000 0.0000 52294.8619 -109227.0009 300.5393 -161521.8628 -108854.1817 300.0265 -194.3793 -170.5721 761225.6642 4.3998 4.4542 PRESSURE: 4786200 -290.537 -157.323 -179.365 -157.323 -171.527 -82.002 -179.366 -82.0028 -15.3568 GPRESSURE: 4786200 -311.111 -246.208 -141.814 -132.257 -156.484 -33.4158 -167.309 2.91205 56.5532 PRESSAVG: 4786200 0.628787 10.0635 -32.4506 10.0635 47.9557 -23.1434 -32.4505 -23.1434 13.2343 GPRESSAVG: 4786200 -0.123546 9.62357 -31.3633 9.9618 48.841 -23.1921 -30.5935 -21.4926 12.8914 TIMING: 4786200 CPU: 15211.3, 0.00319891/step Wall: 15211.3, 0.00319891/step, 0.18998 hours remaining, 238.613281 MB of memory in use. ENERGY: 4786200 3967.9266 20535.5739 14422.7931 238.1512 -202941.1626 2312.6885 0.0000 0.0000 52183.1120 -109280.9174 299.8971 -161464.0293 -108912.2306 300.6798 -159.1400 -137.0141 761406.0996 20.6063 20.5363 PRESSURE: 4786400 255.58 -206.707 -16.7046 -206.706 17.1536 14.0701 -16.7049 14.0709 -99.4415 GPRESSURE: 4786400 281.195 -164.569 -39.0584 -196.271 74.1218 18.361 -104.468 -25.6337 -129.35 PRESSAVG: 4786400 -37.9254 -21.0285 -45.7933 -21.0285 30.8697 -37.7655 -45.7933 -37.7655 5.96097 GPRESSAVG: 4786400 -38.5887 -20.324 -45.2842 -19.7967 31.9644 -36.6164 -47.2938 -39.717 4.86423 TIMING: 4786400 CPU: 15211.9, 0.00318495/step Wall: 15211.9, 0.00318495/step, 0.188974 hours remaining, 238.613281 MB of memory in use. ENERGY: 4786400 4011.5658 20642.9496 14471.4729 252.3679 -202992.8595 2399.7752 0.0000 0.0000 52035.2409 -109179.4872 299.0472 -161214.7282 -108828.5729 299.8097 57.7639 75.3223 761127.8600 -0.3649 -0.5867 PRESSURE: 4786600 125.417 -203.845 42.7576 -203.844 -281.908 -64.2499 42.7576 -64.2494 283.923 GPRESSURE: 4786600 232.013 -91.8324 -85.4235 -153.819 -278.783 -60.8644 99.856 28.1575 276.979 PRESSAVG: 4786600 19.3546 -35.0063 -16.3879 -35.0063 -14.4206 -23.5625 -16.3879 -23.5626 -4.08874 GPRESSAVG: 4786600 21.7524 -34.763 -19.2402 -35.344 -15.9794 -22.3501 -15.8802 -24.2076 -4.26632 TIMING: 4786600 CPU: 15212.5, 0.00314938/step Wall: 15212.5, 0.00314938/step, 0.186688 hours remaining, 238.613281 MB of memory in use. ENERGY: 4786600 4017.2583 20532.9969 14415.3616 239.1131 -202864.8875 2186.8171 0.0000 0.0000 52163.6528 -109309.6876 299.7852 -161473.3404 -108950.5033 299.1279 42.4774 76.7365 760875.7105 0.2818 0.5022 PRESSURE: 4786800 -37.2752 122.388 240.064 122.388 -27.2914 -175.091 240.063 -175.092 152.522 GPRESSURE: 4786800 -32.6624 168.068 153.282 36.3703 -8.50387 -209.37 199.193 -226.025 191.323 PRESSAVG: 4786800 26.6307 5.33527 4.11335 5.33533 -41.141 6.83256 4.11336 6.83259 1.99616 GPRESSAVG: 4786800 23.6498 4.509 4.14949 4.44982 -40.6831 4.95309 4.91845 7.7891 4.73797 TIMING: 4786800 CPU: 15213.2, 0.00316679/step Wall: 15213.2, 0.00316679/step, 0.187545 hours remaining, 238.613281 MB of memory in use. ENERGY: 4786800 4006.7998 20610.4644 14376.8283 248.2367 -202969.7327 2266.1087 0.0000 0.0000 51951.3357 -109509.9590 298.5650 -161461.2947 -109146.0432 299.2818 29.3184 50.0524 760279.0882 -4.1714 -4.0984 PRESSURE: 4787000 250.737 -25.9688 11.2534 -25.9687 57.6403 -61.3753 11.2535 -61.3748 -112.343 GPRESSURE: 4787000 272.968 19.7962 51.8438 -34.0562 157.658 -15.8507 -0.603666 6.18178 -141.383 PRESSAVG: 4787000 58.6989 -5.41846 11.4529 -5.41844 0.138017 26.681 11.4529 26.6809 -0.28867 GPRESSAVG: 4787000 60.7396 -2.29954 12.8003 -5.11801 -0.992267 27.2579 12.4028 26.973 -1.55632 TIMING: 4787000 CPU: 15213.8, 0.0031781/step Wall: 15213.8, 0.0031781/step, 0.188038 hours remaining, 238.613281 MB of memory in use. ENERGY: 4787000 4004.2380 20692.2678 14379.6502 239.5983 -203444.4714 2692.2386 0.0000 0.0000 51989.5572 -109446.9212 298.7847 -161436.4784 -109079.4909 299.3988 65.3447 96.4141 759321.6191 19.5161 19.3970 PRESSURE: 4787200 79.3697 -91.6473 -16.4992 -91.6472 2.94553 88.8928 -16.4992 88.8926 566.083 GPRESSURE: 4787200 149.142 -55.0364 46.1878 -140.548 63.5668 99.6723 -103.709 -53.9043 521.529 PRESSAVG: 4787200 50.1578 -2.78776 15.6984 -2.78775 -30.6827 13.1326 15.6984 13.1326 5.13307 GPRESSAVG: 4787200 50.0795 -5.85174 15.7077 -2.2535 -30.8145 12.4461 14.1217 13.9407 4.96747 TIMING: 4787200 CPU: 15214.4, 0.00316962/step Wall: 15214.4, 0.00316962/step, 0.18736 hours remaining, 238.613281 MB of memory in use. ENERGY: 4787200 3995.7081 20533.8218 14483.2495 240.4212 -203299.5550 2486.6766 0.0000 0.0000 52183.3759 -109376.3020 299.8986 -161559.6778 -109018.4439 299.9522 216.1326 244.7461 760034.1609 8.2027 8.0775 PRESSURE: 4787400 17.2972 -232.362 -132.222 -232.362 -78.449 -64.0941 -132.222 -64.0939 -3.27122 GPRESSURE: 4787400 -5.46315 -157.979 -84.0754 -172.95 17.7747 -62.0977 -174.949 148.872 8.13421 PRESSAVG: 4787400 -29.4807 18.8779 6.69755 18.8779 44.1365 1.54195 6.69756 1.54198 -6.09812 GPRESSAVG: 4787400 -29.7516 18.7189 7.28736 20.0301 44.5765 0.233886 8.50887 3.08834 -6.1273 TIMING: 4787400 CPU: 15215.1, 0.00316585/step Wall: 15215.1, 0.00316584/step, 0.186961 hours remaining, 238.613281 MB of memory in use. ENERGY: 4787400 3986.4485 20682.5588 14461.6354 245.8332 -203384.1640 2412.9199 0.0000 0.0000 52143.5023 -109451.2659 299.6694 -161594.7682 -109085.4657 299.6816 -21.4743 6.8153 761331.1847 2.8526 2.8992 PRESSURE: 4787600 50.6745 28.4015 68.6838 28.4006 -61.2337 143.773 68.6832 143.773 90.2848 GPRESSURE: 4787600 90.3516 -191.029 80.2017 106.023 12.6121 83.8924 43.5381 134.814 61.8513 PRESSAVG: 4787600 39.5241 -33.0307 -29.7303 -33.0307 4.37876 19.7187 -29.7304 19.7187 -0.652541 GPRESSAVG: 4787600 39.4559 -32.9543 -28.9758 -34.3429 3.9881 21.848 -31.3782 16.899 0.215853 TIMING: 4787600 CPU: 15215.7, 0.00317178/step Wall: 15215.7, 0.00317178/step, 0.187135 hours remaining, 238.613281 MB of memory in use. ENERGY: 4787600 3953.5942 20549.1237 14463.6983 251.8037 -203404.2321 2750.0948 0.0000 0.0000 51783.8240 -109652.0934 297.6023 -161435.9174 -109284.0884 299.2786 26.5752 54.9384 760950.4051 14.4168 14.5533 PRESSURE: 4787800 -22.3206 4.40114 18.0079 4.40066 447.029 142.1 18.008 142.099 -34.0045 GPRESSURE: 4787800 13.0547 35.9018 -27.8307 80.314 422.769 157.476 -142.117 60.4183 44.8619 PRESSAVG: 4787800 44.2068 -41.4326 -2.08485 -41.4326 -58.7874 2.89747 -2.08479 2.8974 -13.5328 GPRESSAVG: 4787800 44.3871 -40.387 -1.98811 -38.646 -58.34 1.54394 -2.68242 4.47449 -14.5571 TIMING: 4787800 CPU: 15216.3, 0.00317602/step Wall: 15216.3, 0.00317602/step, 0.187209 hours remaining, 238.613281 MB of memory in use. ENERGY: 4787800 3982.6090 20543.4448 14462.8232 237.6997 -203329.3501 2667.8525 0.0000 0.0000 51929.8015 -109505.1194 298.4413 -161434.9210 -109138.5559 299.0394 130.2347 160.2287 760918.4057 -9.3711 -9.5033 PRESSURE: 4788000 55.0127 -43.8333 -97.1279 -43.8325 -393.645 -70.8198 -97.1278 -70.8202 330.078 GPRESSURE: 4788000 99.3629 -41.2953 -74.7717 -113.802 -309.144 -96.1513 0.705263 -141.643 292.349 PRESSAVG: 4788000 36.1072 -36.3447 49.8458 -36.3447 -78.0951 -10.9248 49.8457 -10.9248 14.7871 GPRESSAVG: 4788000 36.0567 -37.3926 49.6323 -38.6017 -78.1637 -10.2377 49.8729 -12.7852 15.495 TIMING: 4788000 CPU: 15217, 0.00318637/step Wall: 15217, 0.00318637/step, 0.187642 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4788000 3972.2703 20525.7184 14461.7917 225.1195 -202999.1547 2338.7218 0.0000 0.0000 51934.4691 -109541.0639 298.4681 -161475.5330 -109172.8069 299.0589 -2.8511 27.5225 760519.3000 -9.0669 -8.8707 PRESSURE: 4788200 221.727 -43.563 -10.8074 -43.5625 275.965 -159.206 -10.807 -159.206 13.7677 GPRESSURE: 4788200 237.755 32.392 -21.7414 -35.6755 279.166 -26.2356 93.2457 -101.291 77.3717 PRESSAVG: 4788200 30.6233 -1.97072 11.0646 -1.97067 8.91377 -10.2934 11.0645 -10.2934 6.10043 GPRESSAVG: 4788200 31.1559 -1.76066 9.88078 -3.63813 9.51603 -7.48582 12.211 -11.1306 4.67598 TIMING: 4788200 CPU: 15217.6, 0.00319955/step Wall: 15217.6, 0.00319955/step, 0.18824 hours remaining, 238.613281 MB of memory in use. ENERGY: 4788200 4046.9479 20506.5658 14420.6598 239.3342 -203663.1303 2797.6669 0.0000 0.0000 52124.5355 -109527.4203 299.5604 -161651.9558 -109167.9383 298.8346 170.4865 198.0978 760875.2636 15.2125 15.1160 LDB: ============= START OF LOAD BALANCING ============== 15230 LDB: ============== END OF LOAD BALANCING =============== 15230 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15230 LDB: ============= START OF LOAD BALANCING ============== 15230.3 LDB: Largest compute 7025 load 0.034713 is 17.7% of average load 0.196105 LDB: Average compute 0.004379 is 2.2% of average load 0.196105 LDB: TIME 15230.3 LOAD: AVG 0.196105 MAX 0.217508 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 15230.3 LOAD: AVG 0.196105 MAX 0.217508 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: TIME 15230.3 LOAD: AVG 0.196105 MAX 0.217508 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.969 MB LDB: ============== END OF LOAD BALANCING =============== 15230.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15230.3 PRESSURE: 4788400 198.009 -340.896 134.534 -340.896 -47.9754 188.191 134.533 188.191 195.758 GPRESSURE: 4788400 171.206 -180.729 177.227 -296.662 26.8322 237.11 79.3618 162.517 234.104 PRESSAVG: 4788400 -21.7122 -23.3972 -8.30525 -23.3972 -2.53834 -5.82623 -8.30517 -5.82621 -13.6283 GPRESSAVG: 4788400 -22.9341 -22.6755 -8.49285 -21.7096 -2.49943 -8.16808 -7.52941 -4.50639 -12.1756 TIMING: 4788400 CPU: 15218.3, 0.00326854/step Wall: 15218.3, 0.00326854/step, 0.192117 hours remaining, 237.640625 MB of memory in use. ENERGY: 4788400 4046.4981 20584.9471 14387.2619 237.7655 -203568.3312 2916.2549 0.0000 0.0000 51905.1242 -109490.4797 298.2995 -161395.6038 -109128.6936 299.4630 115.2638 144.0475 759422.3037 -12.6263 -12.5364 PRESSURE: 4788600 -357.388 -97.0011 -59.2661 -97.0016 -113.303 53.5113 -59.2661 53.511 -113.679 GPRESSURE: 4788600 -246.231 -62.8058 -119.12 -105.09 -139.149 28.3634 44.0619 81.7164 -114.88 PRESSAVG: 4788600 -1.54803 -28.4424 -9.28615 -28.4424 -24.5857 -60.7695 -9.28615 -60.7695 3.68325 GPRESSAVG: 4788600 -0.379173 -27.5314 -9.46451 -27.9871 -25.0971 -61.5282 -8.95081 -59.2516 3.38253 TIMING: 4788600 CPU: 15218.9, 0.00319965/step Wall: 15218.9, 0.00319965/step, 0.18789 hours remaining, 237.640625 MB of memory in use. ENERGY: 4788600 3987.3218 20429.4927 14416.5152 252.9869 -203640.1085 2750.1911 0.0000 0.0000 52297.0844 -109506.5164 300.5521 -161803.6007 -109150.8797 299.5297 -194.7899 -166.7532 760596.3206 -7.4835 -7.3646 PRESSURE: 4788800 -85.5081 -4.47244 -62.9618 -4.47301 -2.02198 -219.195 -62.9629 -219.196 -162.987 GPRESSURE: 4788800 -93.2196 15.8389 30.7717 -110.437 128.177 -222.331 48.3526 -91.0042 -198.976 PRESSAVG: 4788800 -7.5333 -70.0038 29.8602 -70.0039 -7.30066 2.77115 29.8602 2.77118 -21.7337 GPRESSAVG: 4788800 -7.50071 -70.3843 30.2702 -70.1974 -6.43038 1.85077 29.0798 1.94112 -22.6802 TIMING: 4788800 CPU: 15219.5, 0.00318403/step Wall: 15219.5, 0.00318403/step, 0.186796 hours remaining, 237.640625 MB of memory in use. ENERGY: 4788800 4020.0872 20551.2062 14435.4000 222.4514 -203364.7610 2626.6624 0.0000 0.0000 52102.6503 -109406.3036 299.4346 -161508.9539 -109044.0430 299.3082 -83.5057 -54.6729 760706.7668 -12.1892 -12.2038 PRESSURE: 4789000 76.1095 106.646 163.951 106.646 360.251 -46.7767 163.951 -46.7776 -114.792 GPRESSURE: 4789000 89.56 47.6218 161.053 74.6972 410.599 -32.9439 49.5603 -36.9764 -109.235 PRESSAVG: 4789000 -14.5238 -57.3678 -60.8473 -57.3679 -21.5331 -27.8552 -60.8474 -27.8553 7.90872 GPRESSAVG: 4789000 -14.8683 -58.5277 -61.0205 -58.0446 -21.8109 -26.7814 -62.2103 -29.6804 7.90625 TIMING: 4789000 CPU: 15220.2, 0.00317979/step Wall: 15220.2, 0.00317979/step, 0.186371 hours remaining, 237.640625 MB of memory in use. ENERGY: 4789000 3944.7872 20612.0973 14418.8142 224.7571 -203042.3421 2363.4159 0.0000 0.0000 51965.1796 -109513.2908 298.6446 -161478.4704 -109166.8965 299.2477 107.1895 130.3081 760039.1498 -9.3827 -9.5910 PRESSURE: 4789200 -37.2023 -275.688 -77.9791 -275.688 -91.22 94.3272 -77.9791 94.3262 43.2976 GPRESSURE: 4789200 -67.1336 -228.971 -170.145 -207.059 35.7233 77.6042 -48.7745 15.9867 22.1971 PRESSAVG: 4789200 -61.759 -69.6383 3.73188 -69.6383 1.13794 -103.379 3.73194 -103.379 -4.59888 GPRESSAVG: 4789200 -61.5196 -68.2423 3.35595 -70.8214 0.301539 -102.005 5.40485 -103.282 -4.44387 TIMING: 4789200 CPU: 15220.8, 0.00318125/step Wall: 15220.8, 0.00318125/step, 0.18628 hours remaining, 237.640625 MB of memory in use. ENERGY: 4789200 4005.7381 20485.0844 14423.8587 256.5190 -203247.6747 2502.2006 0.0000 0.0000 52007.5850 -109566.6890 298.8883 -161574.2740 -109204.1601 299.6455 -28.3749 -3.0710 762093.5374 -21.7400 -21.8873 PRESSURE: 4789400 -72.867 43.1274 96.4112 43.1279 18.3582 162.751 96.4107 162.752 -224.891 GPRESSURE: 4789400 -41.3377 -20.2952 13.1561 81.3558 -43.8953 196.222 80.7892 74.088 -125.57 PRESSAVG: 4789400 -32.7575 -7.94042 -24.937 -7.94044 24.6285 -27.0429 -24.9369 -27.0429 -0.127897 GPRESSAVG: 4789400 -33.1952 -10.9513 -25.1177 -5.77788 24.2209 -27.493 -25.5448 -26.2959 0.282414 TIMING: 4789400 CPU: 15221.5, 0.00318077/step Wall: 15221.5, 0.00318077/step, 0.186075 hours remaining, 237.640625 MB of memory in use. ENERGY: 4789400 4019.1147 20656.1638 14428.6051 245.7502 -203152.5387 2333.9990 0.0000 0.0000 52048.0836 -109420.8224 299.1211 -161468.9060 -109057.9886 299.5122 -93.1333 -70.2678 761049.7283 -2.7523 -2.8973 PRESSURE: 4789600 -83.9096 3.8839 -81.4071 3.88381 -7.02493 -274.603 -81.4071 -274.602 -61.6216 GPRESSURE: 4789600 -26.5331 91.3178 -77.0995 -130.833 -1.21916 -169.169 -172.023 -196.582 -68.2018 PRESSAVG: 4789600 -14.4539 -11.8305 -8.45171 -11.8306 -15.1598 39.3753 -8.45163 39.3753 39.2592 GPRESSAVG: 4789600 -13.6946 -9.44046 -7.06254 -11.7109 -14.9814 38.803 -9.61385 40.3411 38.5853 TIMING: 4789600 CPU: 15222.1, 0.00318486/step Wall: 15222.1, 0.00318486/step, 0.186138 hours remaining, 237.640625 MB of memory in use. ENERGY: 4789600 3995.2604 20518.4110 14472.5047 228.9553 -203711.3946 2561.2942 0.0000 0.0000 52092.9324 -109842.0366 299.3788 -161934.9690 -109472.4681 299.3686 -50.8520 -31.9847 760139.4688 3.2151 3.3031 PRESSURE: 4789800 -84.922 -372.697 -99.84 -372.698 -329.396 -51.2952 -99.8404 -51.2958 -266.391 GPRESSURE: 4789800 -71.1533 -320.912 -72.5373 -278.104 -286.874 -48.8951 -50.1211 -130.457 -227.621 PRESSAVG: 4789800 1.73768 -88.0039 -17.4149 -88.0038 -22.5759 -39.1746 -17.4149 -39.1747 17.4672 GPRESSAVG: 4789800 1.18265 -90.9339 -19.172 -86.7703 -21.939 -41.3624 -15.7694 -38.7228 17.9664 TIMING: 4789800 CPU: 15222.7, 0.0032285/step Wall: 15222.7, 0.0032285/step, 0.188509 hours remaining, 237.640625 MB of memory in use. ENERGY: 4789800 4050.5534 20408.9899 14422.7421 253.0998 -203326.3015 2447.2190 0.0000 0.0000 51855.4814 -109888.2159 298.0142 -161743.6973 -109526.0923 298.5680 -226.9028 -195.2160 761925.6351 -1.1237 -0.9300 PRESSURE: 4790000 -224.024 -49.8944 -29.2997 -49.8939 57.0082 34.9412 -29.2992 34.9411 460.512 GPRESSURE: 4790000 -123.198 -15.8913 -23.9146 -115.062 27.1611 70.4804 35.219 -41.2365 459.559 PRESSAVG: 4790000 -23.0904 -86.2315 12.686 -86.2315 28.6657 -54.5356 12.6859 -54.5357 12.3124 GPRESSAVG: 4790000 -22.4604 -83.2215 13.0989 -88.6517 28.1362 -51.7624 12.2966 -56.254 11.6269 TIMING: 4790000 CPU: 15223.4, 0.00318558/step Wall: 15223.4, 0.00318558/step, 0.185826 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4790000 4039.5077 20611.3218 14427.5079 229.3190 -203472.2935 2612.7187 0.0000 0.0000 51958.0374 -109593.8810 298.6036 -161551.9183 -109234.4509 298.6106 97.8321 121.1743 757682.5530 5.9626 5.7676 PRESSURE: 4790200 123.52 -233.77 72.2881 -233.77 -266.12 129.527 72.2879 129.529 2.65598 GPRESSURE: 4790200 153.827 -218.073 72.8126 -220.646 -135.967 110.609 110.857 107.397 -57.198 PRESSAVG: 4790200 -0.16321 -22.5504 27.8885 -22.5503 -7.77113 43.4233 27.8885 43.4232 -7.93059 GPRESSAVG: 4790200 0.540089 -24.7988 25.3535 -22.7204 -6.68204 42.2114 29.1616 45.6411 -9.47299 TIMING: 4790200 CPU: 15224, 0.00319806/step Wall: 15224, 0.00319806/step, 0.186376 hours remaining, 237.640625 MB of memory in use. ENERGY: 4790200 3996.0428 20492.9061 14421.9540 243.6069 -202753.5477 2369.2252 0.0000 0.0000 51910.9852 -109318.8276 298.3331 -161229.8128 -108952.7004 299.3677 -46.6478 -13.1126 760616.0996 -5.2883 -5.2050 PRESSURE: 4790400 -109.259 152.644 27.955 152.644 28.854 -157.264 27.9549 -157.265 278.01 GPRESSURE: 4790400 9.09723 120.19 85.1209 -102.734 61.9109 -202.696 -41.0202 -210.035 189.522 PRESSAVG: 4790400 -21.5135 -10.9365 4.89709 -10.9364 14.0674 3.92469 4.89713 3.92466 0.994783 GPRESSAVG: 4790400 -22.7793 -10.2985 6.10243 -8.66565 13.0067 4.75686 3.02903 2.97935 2.80685 TIMING: 4790400 CPU: 15224.6, 0.00316164/step Wall: 15224.6, 0.00316164/step, 0.184078 hours remaining, 237.640625 MB of memory in use. ENERGY: 4790400 4015.5932 20698.0201 14420.7587 231.0871 -203412.8121 2686.3244 0.0000 0.0000 51963.6278 -109397.4009 298.6357 -161361.0287 -109032.3198 299.1848 65.8684 86.8433 760387.0112 -2.1504 -2.3219 PRESSURE: 4790600 157.968 -327.361 -132.352 -327.361 87.9606 -106.342 -132.353 -106.342 114.19 GPRESSURE: 4790600 247.961 -326.769 -184.906 -336.642 115.287 -102.381 -89.9389 -48.4208 109.355 PRESSAVG: 4790600 35.1435 -22.6295 -20.4056 -22.6295 -41.6046 -27.2852 -20.4056 -27.2851 -8.48854 GPRESSAVG: 4790600 36.1134 -23.0983 -20.3773 -24.3063 -41.8159 -28.8088 -20.854 -28.0411 -8.39289 TIMING: 4790600 CPU: 15225.3, 0.00318263/step Wall: 15225.3, 0.00318263/step, 0.185123 hours remaining, 237.640625 MB of memory in use. ENERGY: 4790600 4015.6499 20488.1715 14417.1460 235.8055 -203371.5574 2538.9734 0.0000 0.0000 52350.6155 -109325.1956 300.8597 -161675.8111 -108952.4261 299.6430 120.0397 157.5345 759883.1074 -4.9832 -4.6985 PRESSURE: 4790800 -43.2804 -86.6069 -78.9438 -86.6058 -87.0175 -149.461 -78.944 -149.461 166.839 GPRESSURE: 4790800 -93.8889 -144.159 -39.1669 -3.01316 13.2298 -184.394 45.0972 -88.0787 174.548 PRESSAVG: 4790800 7.01932 -47.2183 -28.3157 -47.2183 -38.0797 0.684758 -28.3158 0.684702 -1.78916 GPRESSAVG: 4790800 5.52351 -45.3441 -28.6692 -45.6433 -36.4205 2.0495 -29.068 0.852313 -1.42515 TIMING: 4790800 CPU: 15225.9, 0.00314941/step Wall: 15225.9, 0.00314942/step, 0.183016 hours remaining, 237.640625 MB of memory in use. ENERGY: 4790800 3996.7518 20573.4024 14457.9201 230.8796 -203333.8696 2641.8544 0.0000 0.0000 52283.5675 -109149.4939 300.4744 -161433.0614 -108784.0003 300.1122 12.1804 31.2963 759726.7220 -10.9499 -10.7741 PRESSURE: 4791000 31.2292 -35.6899 -121.819 -35.6902 174.556 180.223 -121.819 180.224 -203.353 GPRESSURE: 4791000 46.6804 -42.7591 -115.99 -114.622 167.798 180.625 -102.581 190.362 -139.955 PRESSAVG: 4791000 48.9207 -37.4444 -68.9073 -37.4444 -62.7454 -20.3993 -68.9074 -20.3993 -9.43438 GPRESSAVG: 4791000 49.1364 -39.1091 -67.8283 -38.75 -63.986 -17.5875 -68.686 -21.9808 -9.0392 TIMING: 4791000 CPU: 15226.5, 0.00317917/step Wall: 15226.5, 0.00317917/step, 0.184568 hours remaining, 237.640625 MB of memory in use. ENERGY: 4791000 4007.1156 20693.7653 14300.9590 253.5907 -203292.7431 2443.6177 0.0000 0.0000 52252.0837 -109341.6111 300.2934 -161593.6948 -108987.1841 300.1706 0.8108 24.8412 760935.7672 -7.7530 -7.9629 PRESSURE: 4791200 -4.57225 -113.749 108.028 -113.749 -12.297 26.3184 108.027 26.3179 -0.918589 GPRESSURE: 4791200 -26.9474 -23.466 154.262 13.4165 -30.6851 4.99684 148.245 79.4452 131.218 PRESSAVG: 4791200 48.4372 -37.8732 -40.3289 -37.8731 -45.8497 -55.2204 -40.3289 -55.2204 1.6459 GPRESSAVG: 4791200 48.1233 -35.7059 -41.5828 -37.6603 -44.9655 -58.0963 -36.0867 -52.9104 1.63902 TIMING: 4791200 CPU: 15227.2, 0.00318188/step Wall: 15227.2, 0.00318188/step, 0.184549 hours remaining, 237.640625 MB of memory in use. ENERGY: 4791200 3965.2012 20637.0531 14429.6680 248.5952 -203100.8764 2414.5197 0.0000 0.0000 52112.2981 -109293.5410 299.4901 -161405.8391 -108927.5790 300.0093 -5.9293 24.5284 760725.5515 1.4111 1.5990 PRESSURE: 4791400 1.81899 -150.794 103.936 -150.793 -135.977 -96.0645 103.937 -96.0634 -391.847 GPRESSURE: 4791400 31.9261 -152.601 87.9315 -75.7186 -125.479 -114.293 185.074 -279.672 -334.314 PRESSAVG: 4791400 94.36 -30.856 30.7177 -30.856 -29.9574 46.993 30.7178 46.9931 22.5634 GPRESSAVG: 4791400 95.8262 -32.8179 31.3865 -29.9592 -30.645 46.5381 30.5884 45.5611 22.1214 TIMING: 4791400 CPU: 15227.8, 0.00319563/step Wall: 15227.8, 0.00319563/step, 0.185169 hours remaining, 237.640625 MB of memory in use. ENERGY: 4791400 3966.0769 20513.7298 14499.0788 244.4058 -202725.0568 2157.2903 0.0000 0.0000 52013.0647 -109331.4105 298.9198 -161344.4752 -108964.3511 299.8778 -175.3350 -142.6224 760233.5084 28.9887 29.1009 PRESSURE: 4791600 -43.2414 106.908 67.3341 106.909 97.3945 -115.396 67.3339 -115.396 350.142 GPRESSURE: 4791600 -73.9489 70.8258 -113.527 10.9352 138.813 -133.189 60.6336 -83.8271 405.591 PRESSAVG: 4791600 3.3453 -60.0993 -28.238 -60.0992 -32.8924 -34.8301 -28.2379 -34.8301 -2.6159 GPRESSAVG: 4791600 3.39739 -59.7949 -28.8375 -60.2004 -33.0032 -33.8037 -30.8811 -31.9125 -2.67908 TIMING: 4791600 CPU: 15228.5, 0.00318262/step Wall: 15228.5, 0.00318262/step, 0.184238 hours remaining, 237.640625 MB of memory in use. ENERGY: 4791600 3873.0131 20530.1271 14463.5066 235.1805 -203300.0083 2718.8243 0.0000 0.0000 52097.8786 -109381.4781 299.4072 -161479.3567 -109016.9907 299.4562 134.7650 156.8182 760583.1328 -10.7210 -10.7616 PRESSURE: 4791800 -278.216 173.936 64.8202 173.937 -489.422 -11.1132 64.8192 -11.114 -298.934 GPRESSURE: 4791800 -298.887 97.8635 60.5764 157.952 -413.235 -31.7997 19.3174 56.8722 -270.291 PRESSAVG: 4791800 -27.0377 -3.03087 3.53022 -3.03083 -28.0518 -13.1129 3.53022 -13.1129 8.2466 GPRESSAVG: 4791800 -28.9418 -4.07539 4.07899 -3.53945 -27.0396 -14.9235 4.6803 -14.7797 9.21284 TIMING: 4791800 CPU: 15229.1, 0.00319024/step Wall: 15229.1, 0.00319024/step, 0.184502 hours remaining, 237.640625 MB of memory in use. ENERGY: 4791800 4005.8750 20670.8940 14461.0421 229.3262 -203055.7242 2145.7258 0.0000 0.0000 52287.2091 -109255.6520 300.4953 -161542.8610 -108890.9340 299.3409 -355.5242 -327.4711 761287.8016 -15.6143 -15.5895 PRESSURE: 4792000 78.9821 -76.1298 220.639 -76.1299 111.62 84.8407 220.639 84.8408 281.13 GPRESSURE: 4792000 136.38 -4.1093 236.274 -44.7022 90.3551 197.767 29.861 141.431 313.382 PRESSAVG: 4792000 -39.1425 -30.498 26.533 -30.4981 7.71914 -2.30342 26.533 -2.30344 -4.43092 GPRESSAVG: 4792000 -38.1258 -29.1719 27.7212 -28.4432 6.93548 -0.200586 25.3025 -4.07974 -5.00018 TIMING: 4792000 CPU: 15229.7, 0.0032134/step Wall: 15229.7, 0.0032134/step, 0.185663 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4792000 3921.5575 20594.3146 14361.9447 266.4084 -203589.4037 2818.3517 0.0000 0.0000 52401.1174 -109225.7093 301.1499 -161626.8267 -108856.9710 299.7690 157.2439 180.0391 760708.1014 -11.9514 -12.0635 PRESSURE: 4792200 -13.6217 -62.8476 -56.7718 -62.8485 140.11 -140.59 -56.7718 -140.59 272.462 GPRESSURE: 4792200 164.399 -67.1495 -27.873 -125.091 21.4192 -140.356 132.264 -82.5474 298.385 PRESSAVG: 4792200 72.0419 -7.37555 -7.30227 -7.37563 -63.9545 -42.731 -7.30225 -42.731 11.1976 GPRESSAVG: 4792200 73.3747 -7.6949 -8.99551 -8.68964 -64.7894 -42.9114 -6.16866 -40.4827 11.2375 TIMING: 4792200 CPU: 15230.4, 0.00320653/step Wall: 15230.4, 0.00320653/step, 0.185088 hours remaining, 237.640625 MB of memory in use. ENERGY: 4792200 4013.5745 20484.7336 14452.7162 251.8115 -203162.7132 2719.5672 0.0000 0.0000 52222.3363 -109017.9738 300.1225 -161240.3101 -108657.4316 300.0310 132.9834 161.4011 761105.9363 6.4284 6.6076 LDB: ============= START OF LOAD BALANCING ============== 15242.8 LDB: ============== END OF LOAD BALANCING =============== 15242.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15242.8 LDB: ============= START OF LOAD BALANCING ============== 15243.1 LDB: Largest compute 7047 load 0.037009 is 18.9% of average load 0.196044 LDB: Average compute 0.004398 is 2.2% of average load 0.196044 LDB: TIME 15243.1 LOAD: AVG 0.196044 MAX 0.221319 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 15243.1 LOAD: AVG 0.196044 MAX 0.221319 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: TIME 15243.1 LOAD: AVG 0.196044 MAX 0.218645 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: ============== END OF LOAD BALANCING =============== 15243.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15243.1 PRESSURE: 4792400 -678.486 -89.9879 -133.492 -89.9872 -115.82 -19.8507 -133.492 -19.8503 -101.472 GPRESSURE: 4792400 -612.459 -102.593 -122.986 -131.98 -71.1409 -7.76199 -162.687 -62.9802 -122.267 PRESSAVG: 4792400 1.72728 -22.1626 -89.6143 -22.1626 21.9455 -35.5343 -89.6144 -35.5343 3.91392 GPRESSAVG: 4792400 1.6918 -21.2846 -88.3345 -21.5554 22.263 -36.1421 -89.7716 -34.7462 3.81862 TIMING: 4792400 CPU: 15231, 0.00327999/step Wall: 15231, 0.00327999/step, 0.189146 hours remaining, 237.128906 MB of memory in use. ENERGY: 4792400 3963.9940 20608.8425 14376.6143 260.0115 -202892.9476 2241.4716 0.0000 0.0000 52346.7368 -109095.2768 300.8374 -161442.0136 -108736.7555 300.1111 -298.5927 -268.6222 761357.9324 9.1956 9.2578 PRESSURE: 4792600 60.2384 -71.1575 -111.79 -71.1574 210.732 -75.3392 -111.79 -75.3386 -307.471 GPRESSURE: 4792600 94.6743 20.7016 50.8984 -66.3594 235.599 -38.3409 -196.96 -236.375 -288.499 PRESSAVG: 4792600 21.0183 -3.40265 -87.1048 -3.40265 -13.4005 -14.9913 -87.1048 -14.9912 -6.85024 GPRESSAVG: 4792600 20.8238 -3.08224 -86.4442 -5.75732 -13.5501 -13.2863 -87.4432 -16.9806 -6.46822 TIMING: 4792600 CPU: 15231.7, 0.00318157/step Wall: 15231.7, 0.00318157/step, 0.183294 hours remaining, 237.128906 MB of memory in use. ENERGY: 4792600 3985.0559 20453.4210 14479.1904 260.0102 -203143.3046 2511.5714 0.0000 0.0000 52282.6065 -109171.4492 300.4689 -161454.0557 -108809.1755 299.9601 -12.1668 13.9248 760873.8262 0.2559 0.2685 PRESSURE: 4792800 308.128 -255.809 -115.522 -255.809 -457.989 -142.411 -115.522 -142.412 -90.7342 GPRESSURE: 4792800 189.496 -226.694 -108.757 -231.44 -301.749 -83.5301 -191.175 -178.099 -47.5626 PRESSAVG: 4792800 24.0672 -52.5931 -18.1834 -52.5931 6.20847 14.4169 -18.1834 14.4169 -11.172 GPRESSAVG: 4792800 22.7597 -51.3988 -20.6573 -52.4355 7.57962 15.0824 -15.9908 14.669 -11.2012 TIMING: 4792800 CPU: 15232.3, 0.00317951/step Wall: 15232.3, 0.00317951/step, 0.182998 hours remaining, 237.128906 MB of memory in use. ENERGY: 4792800 3922.2482 20592.3455 14463.5918 254.6094 -202805.6169 2535.7108 0.0000 0.0000 52158.8660 -108878.2452 299.7577 -161037.1112 -108510.9304 300.2452 -80.1986 -53.2720 761486.6952 6.3679 6.3794 PRESSURE: 4793000 -34.9547 48.9687 45.3775 48.9692 -378.205 -24.9097 45.3771 -24.9092 -90.8792 GPRESSURE: 4793000 -63.348 118.965 88.2896 30.456 -291.397 -80.6884 -141.8 0.66477 -57.1702 PRESSAVG: 4793000 1.36225 -39.5451 -40.3735 -39.5451 7.29648 -47.207 -40.3734 -47.2069 15.2241 GPRESSAVG: 4793000 2.6004 -40.8158 -38.2592 -37.3339 6.41147 -49.2493 -41.9298 -45.2811 15.2336 TIMING: 4793000 CPU: 15232.9, 0.00318433/step Wall: 15232.9, 0.00318433/step, 0.183099 hours remaining, 237.128906 MB of memory in use. ENERGY: 4793000 3972.3841 20678.4165 14401.8694 250.5575 -203434.1460 2907.1083 0.0000 0.0000 52212.6041 -109011.2060 300.0666 -161223.8101 -108641.1987 300.2143 -168.0128 -137.3051 762187.2552 7.9609 8.0818 PRESSURE: 4793200 -243.619 9.98258 210.74 9.9832 -9.3361 58.9594 210.741 58.9609 497.159 GPRESSURE: 4793200 -115.777 90.6456 160.65 -84.3438 -23.4003 28.7529 172.984 76.8483 457.715 PRESSAVG: 4793200 23.86 -39.6902 -26.2849 -39.6903 -14.4083 -33.212 -26.2848 -33.2119 24.0572 GPRESSAVG: 4793200 22.8026 -36.7396 -27.632 -43.4814 -13.1119 -33.7153 -26.3889 -33.8566 23.7576 TIMING: 4793200 CPU: 15233.6, 0.00318944/step Wall: 15233.6, 0.00318945/step, 0.183216 hours remaining, 237.128906 MB of memory in use. ENERGY: 4793200 3920.2781 20622.0902 14434.3297 247.7473 -203182.1396 2443.0283 0.0000 0.0000 52345.0978 -109169.5682 300.8280 -161514.6660 -108822.8229 300.0842 81.4011 106.1792 760509.1218 11.1696 11.1494 PRESSURE: 4793400 -55.7775 -63.8287 -4.58873 -63.8281 169.302 -57.7606 -4.58886 -57.759 -156.02 GPRESSURE: 4793400 66.4567 -56.3955 -38.8635 -133.049 144.888 -72.8364 100.195 -53.6411 -151.636 PRESSAVG: 4793400 -5.46642 -26.6239 -37.2637 -26.6239 44.2069 3.15118 -37.2637 3.15116 2.88097 GPRESSAVG: 4793400 -5.57443 -31.5521 -36.4499 -23.9762 44.0441 4.53669 -34.8109 2.79022 3.34379 TIMING: 4793400 CPU: 15234.2, 0.00318639/step Wall: 15234.2, 0.00318639/step, 0.182864 hours remaining, 237.128906 MB of memory in use. ENERGY: 4793400 3997.3453 20601.2058 14460.8793 260.3132 -203423.4740 2746.0790 0.0000 0.0000 52199.4533 -109158.1981 299.9910 -161357.6514 -108813.7040 300.0504 -14.1654 19.9029 761568.1922 13.8738 13.9378 PRESSURE: 4793600 88.3174 -364.169 -314.244 -364.169 -99.453 -229.886 -314.244 -229.885 120.256 GPRESSURE: 4793600 145.375 -362.834 -290.102 -328.132 -55.7175 -176.149 -191.889 -212.202 95.9151 PRESSAVG: 4793600 -49.2426 -3.78121 -65.5095 -3.78119 47.0329 -73.0417 -65.5095 -73.0417 8.2673 GPRESSAVG: 4793600 -46.9722 -1.81263 -66.5653 -2.86559 44.8255 -72.0348 -65.7733 -72.6129 7.96422 TIMING: 4793600 CPU: 15234.9, 0.0031903/step Wall: 15234.9, 0.0031903/step, 0.182911 hours remaining, 237.128906 MB of memory in use. ENERGY: 4793600 3968.1209 20484.4643 14422.1369 237.0263 -203142.4259 2593.1366 0.0000 0.0000 52113.5381 -109324.0028 299.4972 -161437.5409 -108967.2786 299.7294 36.3735 61.8574 761898.8835 2.0192 1.9392 PRESSURE: 4793800 -183.955 -21.4134 -415.583 -21.4133 -84.0465 52.4814 -415.582 52.4808 142.638 GPRESSURE: 4793800 -152.62 -201.238 -324.24 29.1144 -69.0182 86.848 -502.222 68.6252 178.318 PRESSAVG: 4793800 37.4432 -48.6191 -47.0662 -48.6191 14.5681 43.4824 -47.0662 43.4824 0.998112 GPRESSAVG: 4793800 36.2253 -48.7331 -47.1402 -50.2279 15.5599 44.7453 -48.0502 39.8581 0.82987 TIMING: 4793800 CPU: 15235.5, 0.00318775/step Wall: 15235.5, 0.00318775/step, 0.182587 hours remaining, 237.128906 MB of memory in use. ENERGY: 4793800 3918.8068 20510.7864 14386.1441 248.5073 -202947.3819 2089.7857 0.0000 0.0000 52242.0308 -109551.3207 300.2357 -161793.3515 -109187.3711 299.4145 -41.7878 -14.4403 761532.6779 17.6698 17.5384 PRESSURE: 4794000 -267.619 76.5277 -58.698 76.5278 -71.6512 -2.67996 -58.6987 -2.68063 129.373 GPRESSURE: 4794000 -188.738 81.7059 -85.8114 47.0988 -0.997288 -91.2527 -47.886 -84.5447 64.4356 PRESSAVG: 4794000 -9.48258 46.6187 -41.9709 46.6186 28.3792 -46.8946 -41.971 -46.8946 13.5036 GPRESSAVG: 4794000 -8.13724 47.88 -40.3972 45.9886 28.0719 -49.1944 -42.0931 -45.32 12.7071 TIMING: 4794000 CPU: 15236.1, 0.00318367/step Wall: 15236.1, 0.00318367/step, 0.182176 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4794000 4033.0016 20499.1535 14413.3377 234.9623 -203412.7956 2612.2504 0.0000 0.0000 52015.4728 -109604.6174 298.9336 -161620.0902 -109244.9978 298.7826 -69.9660 -41.7666 761612.2012 10.8001 10.8806 PRESSURE: 4794200 126.515 58.4031 -18.967 58.4038 98.1492 -248.878 -18.9668 -248.877 -10.6619 GPRESSURE: 4794200 116.53 54.7162 18.4668 26.4868 98.8786 -249.642 -28.9459 -108.744 71.1624 PRESSAVG: 4794200 1.18378 -33.2947 -1.61423 -33.2947 7.78923 -58.3957 -1.61426 -58.3957 10.373 GPRESSAVG: 4794200 -1.09879 -34.1959 -1.23311 -32.9478 9.65734 -58.4355 -2.47603 -57.3208 10.6652 TIMING: 4794200 CPU: 15236.8, 0.00321098/step Wall: 15236.8, 0.00321098/step, 0.183561 hours remaining, 237.128906 MB of memory in use. ENERGY: 4794200 4059.1990 20388.6754 14458.8465 253.2079 -203437.4067 2642.0143 0.0000 0.0000 51891.2398 -109744.2238 298.2197 -161635.4636 -109371.4528 298.5302 71.3342 95.5235 760591.5922 6.4487 6.4079 PRESSURE: 4794400 70.6755 92.3144 -148.726 92.314 194.687 -234.205 -148.726 -234.205 37.3468 GPRESSURE: 4794400 89.6958 72.7526 -142.875 34.2765 279.494 -264.411 -195.858 -226.072 9.67526 PRESSAVG: 4794400 -17.7717 -16.3201 -32.605 -16.3201 32.3954 -8.12284 -32.6051 -8.12284 10.3481 GPRESSAVG: 4794400 -16.8589 -15.6991 -32.3175 -15.7669 31.89 -8.2364 -32.3037 -9.38813 10.2932 TIMING: 4794400 CPU: 15237.4, 0.00319601/step Wall: 15237.4, 0.00319601/step, 0.182527 hours remaining, 237.128906 MB of memory in use. ENERGY: 4794400 3928.9737 20410.3242 14394.9583 233.7679 -203441.5631 2691.7106 0.0000 0.0000 51881.6652 -109900.1632 298.1646 -161781.8283 -109533.8110 298.5293 100.9031 126.2884 762540.7640 8.3239 8.4415 PRESSURE: 4794600 -68.9158 -106.956 85.796 -106.956 478.198 39.5002 85.7968 39.4999 -210.206 GPRESSURE: 4794600 55.877 -111.254 147.75 -135.018 407.919 16.4194 -44.0178 106.235 -169.732 PRESSAVG: 4794600 -36.4052 -44.6782 -31.7648 -44.6782 47.9893 -25.6577 -31.7648 -25.6578 -17.2564 GPRESSAVG: 4794600 -36.3955 -45.2354 -32.0845 -43.0252 46.5258 -25.6438 -33.174 -22.602 -16.1114 TIMING: 4794600 CPU: 15238.1, 0.00321422/step Wall: 15238.1, 0.00321422/step, 0.183389 hours remaining, 237.128906 MB of memory in use. ENERGY: 4794600 3969.7349 20379.8459 14448.9118 249.2751 -203426.1407 2635.1129 0.0000 0.0000 52184.6173 -109558.6427 299.9057 -161743.2600 -109205.3912 298.1917 66.3589 98.0213 760916.8941 -1.8908 -1.9937 PRESSURE: 4794800 -76.6719 -19.1786 -227.31 -19.1794 197.375 234.656 -227.309 234.656 -7.24624 GPRESSURE: 4794800 -108.34 -126.023 -296.353 40.385 237.902 184.196 -100.751 305.279 68.2486 PRESSAVG: 4794800 -57.9154 -32.9095 -79.5576 -32.9096 40.1324 39.2075 -79.5575 39.2076 5.40994 GPRESSAVG: 4794800 -58.3065 -35.4709 -79.4357 -33.6485 41.4495 38.6014 -77.6815 36.2329 4.94832 TIMING: 4794800 CPU: 15238.7, 0.00319017/step Wall: 15238.7, 0.00319017/step, 0.18184 hours remaining, 237.128906 MB of memory in use. ENERGY: 4794800 3886.6618 20513.6857 14457.9492 239.9405 -203148.4874 2429.5924 0.0000 0.0000 51932.7381 -109687.9196 298.4582 -161620.6577 -109323.4531 298.7750 37.8189 65.9368 760909.5568 -4.1243 -3.9696 PRESSURE: 4795000 -116.921 -100.779 -18 -100.779 -297.347 20.5729 -18.0006 20.5735 113.576 GPRESSURE: 4795000 -86.7028 -91.7904 -86.1951 -187.978 -186.829 51.1024 -126.466 32.9702 45.9184 PRESSAVG: 4795000 -14.734 -29.9411 -56.2407 -29.9411 -28.3376 36.2409 -56.2407 36.2409 7.01324 GPRESSAVG: 4795000 -14.5753 -28.284 -56.2178 -30.4115 -27.8851 36.915 -57.7993 35.7821 6.36001 TIMING: 4795000 CPU: 15239.3, 0.00319419/step Wall: 15239.3, 0.00319419/step, 0.181891 hours remaining, 237.128906 MB of memory in use. ENERGY: 4795000 4041.6505 20480.0606 14413.2897 264.6781 -203224.0728 2550.2965 0.0000 0.0000 51810.9248 -109663.1725 297.7581 -161474.0973 -109311.8051 298.8395 -100.2306 -75.8710 761912.4097 -12.0195 -12.0335 PRESSURE: 4795200 124.019 -5.6863 -33.3703 -5.68681 -130.597 3.62694 -33.3701 3.62691 -264.146 GPRESSURE: 4795200 161.379 88.3682 26.1006 -48.1431 -106.55 -37.0696 -99.567 37.7664 -240.389 PRESSAVG: 4795200 -18.0738 -13.066 -39.8939 -13.066 15.3543 15.6485 -39.8939 15.6486 -9.56661 GPRESSAVG: 4795200 -18.5151 -12.7016 -40.4841 -14.7744 15.1648 14.7411 -40.4575 16.4988 -8.49992 TIMING: 4795200 CPU: 15240, 0.00319405/step Wall: 15240, 0.00319405/step, 0.181706 hours remaining, 237.128906 MB of memory in use. ENERGY: 4795200 3990.1326 20534.2134 14445.9493 246.9271 -203294.4541 2480.4679 0.0000 0.0000 51954.7512 -109642.0126 298.5847 -161596.7638 -109286.1803 299.1322 -90.2416 -61.8536 760201.8461 -4.0954 -3.9501 PRESSURE: 4795400 228.925 -234.738 -189.911 -234.739 41.0391 50.2682 -189.911 50.2685 -420.678 GPRESSURE: 4795400 277.643 -249.251 -145.422 -178.832 -28.7909 61.1968 -242.265 111.101 -322.855 PRESSAVG: 4795400 -43.4046 -16.8499 -79.2934 -16.8499 27.3836 -30.8209 -79.2934 -30.8209 2.29537 GPRESSAVG: 4795400 -42.5839 -14.7348 -79.9465 -16.5218 26.6125 -29.02 -78.7325 -30.2777 1.65749 TIMING: 4795400 CPU: 15240.6, 0.00318736/step Wall: 15240.6, 0.00318736/step, 0.181148 hours remaining, 237.128906 MB of memory in use. ENERGY: 4795400 3983.0887 20568.4337 14363.2111 236.8285 -202916.5267 2310.8020 0.0000 0.0000 52062.4476 -109391.7151 299.2036 -161454.1627 -109028.5288 299.0317 -50.2380 -24.6675 761625.6033 -4.5752 -4.7713 PRESSURE: 4795600 -231.5 -3.66646 215.425 -3.66666 -142.791 123.945 215.425 123.945 35.2928 GPRESSURE: 4795600 -220.742 -2.91274 270.633 -30.2747 -74.2015 171.846 171.128 58.3186 35.4825 PRESSAVG: 4795600 17.8764 -42.1243 -7.16858 -42.1242 17.0601 7.61758 -7.16859 7.61761 -6.26351 GPRESSAVG: 4795600 17.7586 -41.1302 -6.95195 -42.9724 16.4813 7.54993 -5.34836 5.81055 -5.81657 TIMING: 4795600 CPU: 15241.2, 0.00319866/step Wall: 15241.2, 0.00319866/step, 0.181613 hours remaining, 237.128906 MB of memory in use. ENERGY: 4795600 4001.7318 20534.7979 14419.0209 256.8701 -203160.5796 2690.8925 0.0000 0.0000 51776.8040 -109480.4625 297.5620 -161257.2665 -109120.8941 299.1813 -112.9995 -86.4870 762088.2419 9.5577 9.4744 PRESSURE: 4795800 68.5639 252.025 -188.549 252.025 -156.626 -15.1386 -188.549 -15.1377 -79.3085 GPRESSURE: 4795800 10.998 336.331 -157.053 275.064 -2.21627 -38.0946 -246.753 76.8046 -91.932 PRESSAVG: 4795800 -113.747 -35.2791 -8.3212 -35.2791 54.2029 20.497 -8.32118 20.4971 6.6194 GPRESSAVG: 4795800 -114.675 -37.1653 -6.75316 -34.1882 56.5494 20.609 -7.81512 20.3085 5.36719 TIMING: 4795800 CPU: 15241.9, 0.00319524/step Wall: 15241.9, 0.00319524/step, 0.181241 hours remaining, 237.128906 MB of memory in use. ENERGY: 4795800 3984.0463 20551.9196 14333.9369 230.5297 -203280.0227 2646.6544 0.0000 0.0000 52024.9145 -109508.0213 298.9879 -161532.9358 -109141.9337 299.1663 -55.7903 -27.7168 761813.2136 -17.6415 -17.5863 PRESSURE: 4796000 -26.2254 -27.7219 135.959 -27.7224 -174.77 -26.2964 135.959 -26.2957 -11.1787 GPRESSURE: 4796000 2.7711 -106.681 132.762 -57.0899 -87.6864 -100.518 175.17 57.5246 -38.7837 PRESSAVG: 4796000 -17.3807 -18.6161 -30.8668 -18.616 -4.70403 1.55491 -30.8667 1.55493 5.86985 GPRESSAVG: 4796000 -16.5021 -18.9665 -31.4099 -17.9193 -6.80028 1.09322 -34.4115 3.33274 7.05314 TIMING: 4796000 CPU: 15242.5, 0.00323447/step Wall: 15242.5, 0.00323447/step, 0.183287 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4796000 4036.9893 20467.0809 14441.3647 249.4603 -203304.0581 2435.0650 0.0000 0.0000 52148.6040 -109525.4939 299.6987 -161674.0979 -109181.0325 299.0416 -70.7247 -41.2330 758515.1343 -5.4050 -5.4164 PRESSURE: 4796200 186.121 -41.2239 -34.5933 -41.2241 -114.043 32.8357 -34.5944 32.8359 -318.166 GPRESSURE: 4796200 191.465 7.34488 -53.3059 53.358 -85.5738 64.0275 -65.1705 124.285 -281.986 PRESSAVG: 4796200 38.6315 0.24504 11.762 0.245022 -17.3611 20.4913 11.762 20.4913 4.53002 GPRESSAVG: 4796200 37.5999 0.91054 12.9208 -1.65812 -15.4481 20.0482 13.4764 20.533 3.25982 TIMING: 4796200 CPU: 15243.2, 0.00321529/step Wall: 15243.2, 0.00321529/step, 0.182021 hours remaining, 237.128906 MB of memory in use. ENERGY: 4796200 4045.9851 20591.4046 14475.6906 250.9909 -203077.8595 2263.1865 0.0000 0.0000 51816.2225 -109634.3792 297.7885 -161450.6018 -109275.6078 299.0861 -82.0294 -58.6981 760707.0233 8.6001 8.4706 LDB: ============= START OF LOAD BALANCING ============== 15255.6 LDB: ============== END OF LOAD BALANCING =============== 15255.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15255.6 LDB: ============= START OF LOAD BALANCING ============== 15255.9 LDB: Largest compute 7047 load 0.034683 is 17.7% of average load 0.195940 LDB: Average compute 0.004365 is 2.2% of average load 0.195940 LDB: TIME 15255.9 LOAD: AVG 0.19594 MAX 0.220298 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 15255.9 LOAD: AVG 0.19594 MAX 0.220298 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 15255.9 LOAD: AVG 0.19594 MAX 0.220298 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15255.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15255.9 PRESSURE: 4796400 -458.088 58.163 217.659 58.1623 -184.477 -40.6356 217.66 -40.6364 222.579 GPRESSURE: 4796400 -307.643 86.5487 211.582 48.4125 -208.287 -128.594 167.456 76.0752 158.382 PRESSAVG: 4796400 -1.14753 -29.7488 0.0798115 -29.7488 20.7443 5.89817 0.0797722 5.89819 -12.4483 GPRESSAVG: 4796400 -0.698559 -31.1563 -1.63591 -26.9061 19.3103 6.28894 0.711185 4.80215 -11.5327 TIMING: 4796400 CPU: 15243.8, 0.00326119/step Wall: 15243.8, 0.00326119/step, 0.184439 hours remaining, 239.125000 MB of memory in use. ENERGY: 4796400 3977.5300 20437.1493 14472.9715 248.6798 -203339.3500 2362.2778 0.0000 0.0000 52047.3268 -109793.4148 299.1167 -161840.7416 -109429.1028 298.7474 -139.9953 -119.1824 761490.2760 2.3828 2.3597 PRESSURE: 4796600 236.697 135.562 -170.473 135.562 361.404 206.288 -170.474 206.288 463.395 GPRESSURE: 4796600 283.137 138.498 -216.847 179.854 372.439 281.965 -11.2459 216.933 507.087 PRESSAVG: 4796600 30.1517 -7.32406 -38.3679 -7.32414 -18.9849 -1.27256 -38.3679 -1.27249 -7.8748 GPRESSAVG: 4796600 30.4749 -7.96124 -38.13 -6.22581 -20.051 -2.25287 -39.2703 -0.89345 -7.07603 TIMING: 4796600 CPU: 15244.5, 0.00319499/step Wall: 15244.5, 0.00319499/step, 0.180517 hours remaining, 239.125000 MB of memory in use. ENERGY: 4796600 3899.2890 20445.6916 14429.1734 243.5871 -203751.1518 2944.5136 0.0000 0.0000 52190.7456 -109598.1515 299.9409 -161788.8971 -109217.7855 299.1798 353.8319 387.5543 758935.3799 1.0973 1.1160 PRESSURE: 4796800 -310.056 -45.9436 -69.037 -45.9426 -108.354 -40.3052 -69.0371 -40.3057 69.713 GPRESSURE: 4796800 -201.392 -37.1114 -99.4894 -8.0592 14.2868 4.19386 -141.417 8.29388 -75.032 PRESSAVG: 4796800 37.2032 23.9852 20.078 23.9852 -6.87156 24.9942 20.0781 24.9942 13.8818 GPRESSAVG: 4796800 36.2925 27.0352 21.5156 20.3671 -4.13047 25.0928 18.7273 25.8404 12.1367 TIMING: 4796800 CPU: 15245.1, 0.00322751/step Wall: 15245.1, 0.00322751/step, 0.182175 hours remaining, 239.125000 MB of memory in use. ENERGY: 4796800 3963.7289 20679.6645 14403.9709 235.7464 -203175.8324 2210.2931 0.0000 0.0000 52178.8349 -109503.5937 299.8725 -161682.4286 -109145.9179 299.2606 -116.2324 -87.3791 759277.7385 14.7378 14.7662 PRESSURE: 4797000 -57.9762 87.9703 3.75502 87.9699 -71.8625 269.781 3.75473 269.779 291.047 GPRESSURE: 4797000 12.4396 81.0281 49.2651 57.0367 -38.9343 160.049 -31.0685 279.78 277.614 PRESSAVG: 4797000 1.07619 -13.6725 6.73614 -13.6726 -50.9073 -9.46539 6.73617 -9.46537 0.610135 GPRESSAVG: 4797000 1.70151 -15.2553 4.61819 -11.4105 -53.2009 -9.99336 9.76463 -9.0121 2.23865 TIMING: 4797000 CPU: 15245.8, 0.00319445/step Wall: 15245.8, 0.00319445/step, 0.180131 hours remaining, 239.125000 MB of memory in use. ENERGY: 4797000 3947.7894 20432.6240 14421.0852 271.6224 -203531.9715 2598.7699 0.0000 0.0000 52178.9470 -109681.1337 299.8731 -161860.0806 -109322.6611 299.1837 53.7362 83.7063 758893.8446 -16.4070 -16.4203 PRESSURE: 4797200 -117.215 -177.844 -76.5386 -177.844 -52.553 98.8961 -76.5383 98.8962 -237.763 GPRESSURE: 4797200 -81.0531 -98.7673 -114.912 -282.268 -55.9172 35.7433 -155.455 -62.7369 -165.857 PRESSAVG: 4797200 13.2474 -26.57 27.1743 -26.57 6.65424 83.8623 27.1743 83.8623 10.2272 GPRESSAVG: 4797200 12.6071 -26.5972 26.1863 -28.544 8.17119 83.8698 27.9788 82.8753 9.42493 TIMING: 4797200 CPU: 15246.4, 0.00319557/step Wall: 15246.4, 0.00319557/step, 0.180017 hours remaining, 239.125000 MB of memory in use. ENERGY: 4797200 3949.1334 20411.2661 14430.9417 250.7182 -203272.2946 2586.7597 0.0000 0.0000 51945.0823 -109698.3931 298.5291 -161643.4755 -109345.6957 298.5689 -135.8436 -100.9423 760087.4682 10.0429 10.0677 PRESSURE: 4797400 -124.772 -126.148 67.1971 -126.148 1.47206 -141.659 67.1973 -141.659 28.191 GPRESSURE: 4797400 -47.1623 -158.188 168.971 -89.0797 59.0221 -47.3028 -81.8036 -106.635 -5.35628 PRESSAVG: 4797400 -60.3011 -28.847 85.1834 -28.8469 73.1728 49.9476 85.1834 49.9475 7.32796 GPRESSAVG: 4797400 -60.1306 -30.5679 87.267 -25.4208 73.4599 50.9236 81.4285 49.642 7.62803 TIMING: 4797400 CPU: 15247, 0.00317702/step Wall: 15247, 0.00317702/step, 0.178796 hours remaining, 239.125000 MB of memory in use. ENERGY: 4797400 4037.8434 20455.3688 14425.9011 262.7983 -203620.1511 2759.2315 0.0000 0.0000 51890.1977 -109788.8103 298.2137 -161679.0080 -109440.0557 298.8594 -31.7030 2.1678 761514.9562 6.7332 6.9858 PRESSURE: 4797600 -186.94 155.471 79.9519 155.47 -288.351 160.659 79.9521 160.659 40.7017 GPRESSURE: 4797600 -269.444 179.853 83.9961 97.749 -158.407 44.3553 45.9129 158.783 77.4381 PRESSAVG: 4797600 -22.4942 17.9917 16.1682 17.9917 -17.8283 29.7733 16.1682 29.7732 -3.32288 GPRESSAVG: 4797600 -23.7248 19.5687 16.9748 15.4695 -17.4206 29.4153 18.352 30.8695 -2.5307 TIMING: 4797600 CPU: 15247.7, 0.00319913/step Wall: 15247.7, 0.00319913/step, 0.179862 hours remaining, 239.125000 MB of memory in use. ENERGY: 4797600 3929.1893 20407.3074 14423.1979 223.4370 -203543.6934 2604.0160 0.0000 0.0000 52035.8350 -109920.7109 299.0507 -161956.5459 -109568.8199 298.4840 -144.8630 -116.8044 762289.1348 -14.5485 -14.5587 PRESSURE: 4797800 76.9701 71.1629 57.8498 71.1624 162.619 -13.6603 57.8494 -13.6603 110.456 GPRESSURE: 4797800 232.264 35.9298 14.2907 -53.4592 145.053 -49.7611 105.866 64.774 36.1666 PRESSAVG: 4797800 13.5143 16.8948 -53.1703 16.8948 35.2355 -10.9329 -53.1703 -10.9329 -13.2007 GPRESSAVG: 4797800 14.9822 17.8959 -54.3202 17.1335 35.0498 -11.1524 -54.9882 -12.4448 -14.8807 TIMING: 4797800 CPU: 15248.3, 0.00319645/step Wall: 15248.3, 0.00319645/step, 0.179534 hours remaining, 239.125000 MB of memory in use. ENERGY: 4797800 4066.2477 20459.5265 14519.2878 246.3967 -203787.0207 2698.1097 0.0000 0.0000 52016.8626 -109780.5897 298.9416 -161797.4524 -109419.4634 298.6737 116.6816 137.8278 760147.2675 11.8497 11.7171 PRESSURE: 4798000 190.032 -103.379 8.32498 -103.379 390.199 -17.3701 8.32488 -17.3716 104.959 GPRESSURE: 4798000 190.854 -71.1133 14.9061 -100.052 407.857 -0.107541 -198.116 33.6785 170.406 PRESSAVG: 4798000 41.9105 -14.8153 -12.2997 -14.8152 3.99889 -6.24908 -12.2997 -6.24907 11.2094 GPRESSAVG: 4798000 41.83 -15.7353 -13.1607 -15.9023 2.40299 -8.34879 -9.48935 -4.84118 12.3729 TIMING: 4798000 CPU: 15248.9, 0.00320483/step Wall: 15248.9, 0.00320484/step, 0.179827 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4798000 3962.5243 20580.0533 14401.1558 249.6792 -203446.2826 2605.8407 0.0000 0.0000 51744.6039 -109902.4254 297.3769 -161647.0293 -109536.2590 298.2485 228.3969 256.3723 760352.0586 19.0396 18.8686 PRESSURE: 4798200 -313.933 65.0729 156.843 65.0727 -311.45 -105.171 156.843 -105.17 -452.08 GPRESSURE: 4798200 -259.908 86.8363 176.95 160.288 -303.917 -68.0452 49.0788 -127.588 -427.343 PRESSAVG: 4798200 21.378 -20.4961 49.5412 -20.4961 -0.929173 3.88803 49.5411 3.88801 -0.137062 GPRESSAVG: 4798200 20.3961 -20.6999 51.3054 -18.812 0.124501 6.64866 47.5725 4.578 -0.0931057 TIMING: 4798200 CPU: 15249.6, 0.00323056/step Wall: 15249.6, 0.00323056/step, 0.181091 hours remaining, 239.125000 MB of memory in use. ENERGY: 4798200 3970.5531 20612.6388 14437.3580 249.0739 -203414.6802 2552.3398 0.0000 0.0000 51837.5379 -109755.1787 297.9110 -161592.7166 -109399.4619 298.5773 -359.1543 -330.3894 762546.4540 6.7706 6.8092 PRESSURE: 4798400 -179.571 61.524 37.1971 61.5245 96.7067 237.013 37.197 237.013 536.494 GPRESSURE: 4798400 -70.9861 -48.8999 113.017 39.2047 67.7893 192.758 115.19 108.557 538.628 PRESSAVG: 4798400 -50.701 -33.0321 -16.3382 -33.0321 69.1827 -29.0729 -16.3382 -29.073 7.53401 GPRESSAVG: 4798400 -50.0548 -33.6474 -16.5138 -34.1976 67.781 -29.8524 -15.6776 -31.0118 8.57976 TIMING: 4798400 CPU: 15250.2, 0.00320706/step Wall: 15250.2, 0.00320706/step, 0.179595 hours remaining, 239.125000 MB of memory in use. ENERGY: 4798400 3998.7117 20526.4409 14411.5724 246.3440 -203612.1426 2699.1787 0.0000 0.0000 51918.4476 -109811.4473 298.3760 -161729.8949 -109459.3542 298.9494 151.2102 178.4772 759658.4944 8.6719 8.7687 PRESSURE: 4798600 -37.8245 211.145 -163.606 211.145 -251.328 -142.397 -163.605 -142.397 235.579 GPRESSURE: 4798600 60.6731 146.154 -188.012 92.8369 -234.673 -152.006 -85.9847 -118.097 203.99 PRESSAVG: 4798600 -53.1098 -75.2165 14.4369 -75.2164 43.7915 -10.2612 14.4369 -10.2612 9.93093 GPRESSAVG: 4798600 -52.7121 -74.09 14.606 -75.9867 43.5652 -10.4563 14.8752 -9.71121 9.44206 TIMING: 4798600 CPU: 15250.9, 0.00317603/step Wall: 15250.9, 0.00317603/step, 0.177681 hours remaining, 239.125000 MB of memory in use. ENERGY: 4798600 4012.2033 20481.2192 14410.7753 249.4055 -203262.4633 2647.5698 0.0000 0.0000 51828.8527 -109632.4377 297.8611 -161461.2904 -109277.2491 299.0520 -17.8580 9.9969 760214.2462 0.2042 0.0984 PRESSURE: 4798800 -118.706 113.61 -106.163 113.611 -56.7709 -133.137 -106.163 -133.136 271.099 GPRESSURE: 4798800 -60.3466 70.3337 -93.1981 13.5806 -34.569 -143.579 -216.276 -153.542 279.639 PRESSAVG: 4798800 3.39729 -20.1662 -25.346 -20.1662 -6.66842 9.55429 -25.346 9.55418 8.43844 GPRESSAVG: 4798800 2.67635 -18.3308 -26.1306 -18.924 -5.04741 8.3384 -25.8437 10.7986 7.58404 TIMING: 4798800 CPU: 15251.5, 0.00319121/step Wall: 15251.5, 0.00319121/step, 0.178353 hours remaining, 239.125000 MB of memory in use. ENERGY: 4798800 3992.4006 20441.0993 14436.9511 241.9575 -203271.4776 2370.1870 0.0000 0.0000 51937.3355 -109851.5466 298.4846 -161788.8821 -109472.1851 299.0156 31.8741 61.5744 759726.8955 1.7224 1.7377 PRESSURE: 4799000 -362.978 -210.812 22.6539 -210.811 -33.3793 -73.5443 22.6535 -73.5437 120.853 GPRESSURE: 4799000 -273.083 -135.706 42.9118 -191.285 -34.483 -100.01 128.175 -205.633 113.744 PRESSAVG: 4799000 37.1135 -17.1134 42.5477 -17.1134 -29.6624 -35.878 42.5476 -35.878 7.2537 GPRESSAVG: 4799000 37.1655 -18.7644 42.6935 -18.222 -28.8164 -34.1136 42.3636 -37.4689 6.3092 TIMING: 4799000 CPU: 15252.2, 0.00320713/step Wall: 15252.2, 0.00320713/step, 0.179065 hours remaining, 239.125000 MB of memory in use. ENERGY: 4799000 3982.5700 20670.6522 14443.3680 247.8778 -203229.5840 2332.4277 0.0000 0.0000 51781.7100 -109770.9782 297.5902 -161552.6882 -109410.3430 298.3347 -91.8347 -64.6076 760076.3390 4.9016 4.8861 PRESSURE: 4799200 38.3234 -63.7989 -103.005 -63.7988 -28.3983 -46.4493 -103.005 -46.4486 -72.8975 GPRESSURE: 4799200 -26.282 -147.184 -23.3699 -37.2815 22.8637 106.72 -147.725 18.4071 45.4761 PRESSAVG: 4799200 -33.7831 2.112 29.5947 2.11193 33.9557 20.4488 29.5947 20.4487 -4.96829 GPRESSAVG: 4799200 -33.4384 1.69581 29.4151 2.57208 33.1985 19.6253 28.6881 22.0181 -4.26927 TIMING: 4799200 CPU: 15252.8, 0.00318048/step Wall: 15252.8, 0.00318048/step, 0.1774 hours remaining, 239.125000 MB of memory in use. ENERGY: 4799200 3990.2086 20504.9891 14425.2334 254.1726 -203517.0978 2803.3052 0.0000 0.0000 51595.8473 -109943.3416 296.5220 -161539.1889 -109603.7248 298.9133 -20.9908 14.0193 761431.3617 -1.5986 -1.5031 PRESSURE: 4799400 -95.5095 21.2886 -125.581 21.2883 -44.9601 -80.3928 -125.582 -80.3934 -230.731 GPRESSURE: 4799400 -9.1331 43.6599 -153.334 72.8682 -64.1514 -3.82082 29.428 -153.532 -213.064 PRESSAVG: 4799400 -14.9917 -54.149 20.6824 -54.149 5.52597 -9.15129 20.6824 -9.15133 -3.15392 GPRESSAVG: 4799400 -14.4114 -54.1722 19.6936 -55.1044 5.69903 -10.5667 23.5137 -8.9585 -3.56 TIMING: 4799400 CPU: 15253.4, 0.00319133/step Wall: 15253.4, 0.00319133/step, 0.177828 hours remaining, 239.125000 MB of memory in use. ENERGY: 4799400 4000.9031 20461.6459 14348.8717 243.1272 -203281.4262 2490.9380 0.0000 0.0000 51808.4234 -109927.5169 297.7437 -161735.9403 -109574.5175 298.0580 -123.7336 -95.4496 760926.3530 -4.2066 -4.0908 PRESSURE: 4799600 -516.185 -100.359 -206.592 -100.359 -57.5116 300.489 -206.592 300.489 194.22 GPRESSURE: 4799600 -426.139 -132.221 -173.803 -36.4344 -48.441 263.055 -252.375 41.6394 188.045 PRESSAVG: 4799600 0.801668 -11.5295 -20.2841 -11.5295 18.311 11.6603 -20.2841 11.6603 -14.9173 GPRESSAVG: 4799600 -0.677229 -10.26 -20.1303 -10.6458 17.7332 14.4537 -21.3063 10.489 -13.3614 TIMING: 4799600 CPU: 15254.1, 0.00321441/step Wall: 15254.1, 0.00321441/step, 0.178936 hours remaining, 239.125000 MB of memory in use. ENERGY: 4799600 4012.8656 20205.5282 14411.2536 230.3579 -203428.6987 2655.5316 0.0000 0.0000 52077.0118 -109836.1499 299.2873 -161913.1617 -109475.6972 298.5670 -126.4923 -95.5114 761012.0274 1.3984 1.2315 PRESSURE: 4799800 -198.327 -104.137 -335.688 -104.137 -129.001 -223.14 -335.688 -223.141 -253.574 GPRESSURE: 4799800 -234.245 -82.986 -266.654 -218.992 -34.5641 -243.308 -453.23 -231.745 -229.72 PRESSAVG: 4799800 -38.5985 -62.7107 -47.1956 -62.7106 42.2787 -6.72203 -47.1956 -6.72194 -1.1441 GPRESSAVG: 4799800 -37.7147 -64.1661 -45.7821 -63.218 41.7649 -7.97323 -46.4967 -7.92464 -1.15681 TIMING: 4799800 CPU: 15254.7, 0.0032002/step Wall: 15254.7, 0.00320019/step, 0.177966 hours remaining, 239.125000 MB of memory in use. ENERGY: 4799800 4049.0756 20626.1332 14494.7776 239.9512 -202887.9048 2106.7515 0.0000 0.0000 51704.2342 -109666.9816 297.1449 -161371.2157 -109316.6421 298.5419 -193.6338 -166.1764 761914.2118 0.8454 0.9645 PRESSURE: 4800000 118.637 257.057 156.589 257.056 543.751 -194.306 156.589 -194.307 -98.1596 GPRESSURE: 4800000 126.106 233.574 146.857 190.117 553.459 -199.369 308.787 -117.62 -34.2572 PRESSAVG: 4800000 -22.5101 -41.0921 19.224 -41.092 37.0991 -46.6052 19.2241 -46.6052 -1.09154 GPRESSAVG: 4800000 -22.603 -40.9337 18.5363 -42.1618 38.44 -45.3401 17.9713 -44.2023 -2.41705 TIMING: 4800000 CPU: 15255.3, 0.00320468/step Wall: 15255.3, 0.00320468/step, 0.178038 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4800000 3990.9250 20636.8718 14511.5003 247.0007 -203562.5635 2498.4891 0.0000 0.0000 51938.2909 -109739.4856 298.4901 -161677.7765 -109374.0131 298.6809 188.0761 215.1026 760104.2003 4.4992 4.4733 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4800000 WRITING COORDINATES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4800200 -50.7168 -76.2074 178.036 -76.2081 265.268 332.104 178.036 332.105 -170.374 GPRESSURE: 4800200 -29.5823 -52.107 167.343 13.5603 255.519 305.144 115.032 255.549 -101.249 PRESSAVG: 4800200 -64.6772 22.4592 29.5912 22.4592 50.4725 -18.8626 29.5912 -18.8626 6.36244 GPRESSAVG: 4800200 -64.8988 22.0078 29.1421 24.1805 49.8435 -20.6643 29.0135 -20.4733 6.83489 TIMING: 4800200 CPU: 15256, 0.00329765/step Wall: 15256, 0.00329765/step, 0.18302 hours remaining, 239.125000 MB of memory in use. ENERGY: 4800200 3942.3085 20658.7739 14491.1742 236.9777 -203775.4106 2718.3254 0.0000 0.0000 52049.3717 -109678.4792 299.1285 -161727.8509 -109314.8686 298.8006 14.7258 41.5628 759011.9227 -2.6141 -2.7401 LDB: ============= START OF LOAD BALANCING ============== 15268.4 LDB: ============== END OF LOAD BALANCING =============== 15268.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15268.4 LDB: ============= START OF LOAD BALANCING ============== 15268.7 LDB: Largest compute 7047 load 0.035326 is 18.0% of average load 0.196079 LDB: Average compute 0.004352 is 2.2% of average load 0.196079 LDB: TIME 15268.7 LOAD: AVG 0.196079 MAX 0.220399 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 15268.7 LOAD: AVG 0.196079 MAX 0.220399 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: TIME 15268.7 LOAD: AVG 0.196079 MAX 0.220399 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15268.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15268.7 PRESSURE: 4800400 65.3525 -128.865 76.4494 -128.866 140.654 -210.824 76.4492 -210.824 294.957 GPRESSURE: 4800400 55.7299 7.28168 64.6166 -83.0131 192.79 -173.285 147.534 -129.746 314.506 PRESSAVG: 4800400 -51.1807 2.16088 62.0045 2.16087 28.5788 -14.7154 62.0045 -14.7154 -0.443764 GPRESSAVG: 4800400 -51.9913 3.55281 62.7019 1.5831 28.4558 -13.5953 64.5364 -16.0844 0.438298 TIMING: 4800400 CPU: 15256.7, 0.00328119/step Wall: 15256.7, 0.00328119/step, 0.181924 hours remaining, 239.558594 MB of memory in use. ENERGY: 4800400 3959.2955 20569.5755 14566.5677 260.6323 -204051.2704 2906.0744 0.0000 0.0000 51990.3216 -109798.8035 298.7891 -161789.1251 -109445.8109 298.7294 166.9879 187.6752 759630.8109 -7.6819 -7.6990 PRESSURE: 4800600 321.016 -18.1065 -53.4755 -18.1064 -106.331 159.482 -53.4756 159.482 -201.067 GPRESSURE: 4800600 347.045 -23.6305 -12.7821 42.2635 -76.5417 113.558 -139.183 331.169 -159.659 PRESSAVG: 4800600 -1.02362 -50.3031 -19.7833 -50.3031 5.26242 6.48199 -19.7832 6.48202 35.6725 GPRESSAVG: 4800600 -0.104669 -50.7031 -19.5555 -49.5596 6.27531 5.92981 -22.2508 8.64494 34.361 TIMING: 4800600 CPU: 15257.3, 0.00321288/step Wall: 15257.3, 0.00321288/step, 0.177958 hours remaining, 239.558594 MB of memory in use. ENERGY: 4800600 3949.3203 20437.9861 14449.5281 237.9340 -203938.6204 2877.2617 0.0000 0.0000 52176.5666 -109810.0236 299.8594 -161986.5902 -109438.7392 299.1780 4.5394 36.9484 760264.8652 13.3038 13.5105 PRESSURE: 4800800 -30.0262 62.9741 -11.9285 62.9741 -479.682 -27.3698 -11.9289 -27.3697 -509.14 GPRESSURE: 4800800 -54.6725 38.6031 8.15437 -1.21174 -397.2 42.3067 126.117 10.5803 -497.442 PRESSAVG: 4800800 -55.0991 4.48073 12.2808 4.48073 26.6268 64.395 12.2808 64.3949 -12.5929 GPRESSAVG: 4800800 -55.0991 3.28154 12.2692 4.21886 25.9608 64.7699 12.679 62.8822 -12.8848 TIMING: 4800800 CPU: 15257.9, 0.00318223/step Wall: 15257.9, 0.00318223/step, 0.176084 hours remaining, 239.558594 MB of memory in use. ENERGY: 4800800 4099.8880 20315.8551 14399.6558 250.6168 -203584.8263 2516.2344 0.0000 0.0000 51906.8148 -110095.7615 298.3092 -162002.5762 -109729.8406 298.7520 -339.6163 -316.4381 760673.6851 -13.6884 -14.0077 PRESSURE: 4801000 -71.5671 -84.8658 29.3678 -84.8652 -19.9041 94.7127 29.3682 94.7131 -130.869 GPRESSURE: 4801000 -56.6544 -141.413 80.0024 -59.2747 62.0622 80.6514 -58.3437 37.4846 -145.366 PRESSAVG: 4801000 2.84901 -7.65968 0.263429 -7.65965 2.6784 11.7522 0.263433 11.7522 -26.8232 GPRESSAVG: 4801000 1.21116 -7.95645 -0.921957 -9.02061 2.85701 11.349 0.564376 11.7391 -25.4159 TIMING: 4801000 CPU: 15258.6, 0.00320715/step Wall: 15258.6, 0.00320715/step, 0.177284 hours remaining, 239.558594 MB of memory in use. ENERGY: 4801000 3966.3574 20469.4692 14344.8647 244.2343 -203585.1618 2417.6410 0.0000 0.0000 52113.6759 -110028.9192 299.4980 -162142.5951 -109665.1507 299.0366 -74.1135 -46.6529 760155.8416 -7.0986 -7.1159 PRESSURE: 4801200 37.5159 -32.8736 -179.84 -32.8742 112.311 -27.8998 -179.841 -27.8983 -94.6148 GPRESSURE: 4801200 28.5695 -25.6555 -139.172 -6.95337 105.737 -66.0001 -171.74 -18.4079 -7.31425 PRESSAVG: 4801200 43.8713 -9.49085 12.5665 -9.49086 -1.16104 -12.2066 12.5665 -12.2065 -27.9151 GPRESSAVG: 4801200 42.7757 -7.09081 13.0067 -7.85805 0.672293 -11.1661 11.4222 -10.6825 -27.9875 TIMING: 4801200 CPU: 15259.2, 0.00321317/step Wall: 15259.2, 0.00321317/step, 0.177438 hours remaining, 239.558594 MB of memory in use. ENERGY: 4801200 3998.9297 20434.6731 14341.0965 231.6609 -203483.7132 2536.5436 0.0000 0.0000 51780.4220 -110160.3873 297.5828 -161940.8093 -109809.2575 298.5549 18.4041 42.3308 760038.8462 4.9317 5.1535 PRESSURE: 4801400 -136.991 14.9057 -181.101 14.9057 70.4465 -34.1081 -181.101 -34.108 -106.086 GPRESSURE: 4801400 -90.9597 -22.9429 -210.509 -12.3512 56.6595 -35.3361 -173.828 -115.213 -48.784 PRESSAVG: 4801400 12.8221 -36.7974 -21.3309 -36.7973 -11.7869 -26.0452 -21.3309 -26.0452 -2.82241 GPRESSAVG: 4801400 14.0885 -37.8825 -21.7065 -38.3221 -12.1607 -26.2594 -18.7482 -30.1624 -3.78777 TIMING: 4801400 CPU: 15259.9, 0.00320457/step Wall: 15259.9, 0.00320457/step, 0.176785 hours remaining, 239.558594 MB of memory in use. ENERGY: 4801400 4025.7615 20342.4314 14467.0883 256.5547 -203471.7841 2425.2791 0.0000 0.0000 52077.6978 -109876.9713 299.2912 -161954.6691 -109507.9941 298.3551 -57.5435 -27.6947 758774.8811 -0.5957 -0.6200 PRESSURE: 4801600 -45.8446 178.282 2.04797 178.283 -57.1153 -67.6359 2.04735 -67.636 -183.22 GPRESSURE: 4801600 -27.7169 209.061 89.3367 101.959 -26.4361 -75.4745 30.6185 39.6762 -129.788 PRESSAVG: 4801600 25.5173 -32.6061 -11.7214 -32.6061 -14.0417 -27.4827 -11.7214 -27.4828 18.245 GPRESSAVG: 4801600 26.7042 -35.1276 -10.1829 -32.0968 -15.7981 -26.5355 -14.9103 -25.2779 18.7709 TIMING: 4801600 CPU: 15260.5, 0.00319584/step Wall: 15260.5, 0.00319584/step, 0.176126 hours remaining, 239.558594 MB of memory in use. ENERGY: 4801600 3954.9682 20523.8624 14473.2240 240.5701 -203146.5829 2260.9435 0.0000 0.0000 51823.5596 -109869.4550 297.8307 -161693.0147 -109518.9713 298.9597 -95.3932 -61.3135 760515.7424 9.9069 9.8923 PRESSURE: 4801800 277.551 19.6515 46.1901 19.651 75.461 138.271 46.1899 138.272 170.133 GPRESSURE: 4801800 321.751 -11.0647 86.5251 35.2413 110.301 93.8282 125.913 -22.2859 183.518 PRESSAVG: 4801800 -1.38136 16.2585 -3.0168 16.2584 -35.1107 -42.3489 -3.01682 -42.3489 7.56548 GPRESSAVG: 4801800 -1.29376 17.2324 -3.1772 17.1445 -36.0461 -43.3689 -1.98512 -43.3138 8.23791 TIMING: 4801800 CPU: 15261.1, 0.00319355/step Wall: 15261.1, 0.00319355/step, 0.175823 hours remaining, 239.558594 MB of memory in use. ENERGY: 4801800 4163.9486 20387.8135 14434.5963 257.5193 -203839.8308 2783.7048 0.0000 0.0000 52020.2351 -109792.0133 298.9610 -161812.2483 -109431.9860 299.0021 174.3818 205.1898 757452.1665 -9.6422 -9.7006 PRESSURE: 4802000 -216.289 -205.685 -19.7054 -205.685 -110.007 -43.3671 -19.7064 -43.3667 200.67 GPRESSURE: 4802000 -214.13 -169.488 -33.6563 -99.05 -125.79 35.645 94.9996 72.5643 291.308 PRESSAVG: 4802000 -15.8666 -58.4549 21.7872 -58.455 -15.2462 -27.2021 21.7872 -27.2021 6.60014 GPRESSAVG: 4802000 -17.9906 -57.6556 21.2355 -58.8033 -11.9034 -27.066 20.6465 -26.9455 5.66586 TIMING: 4802000 CPU: 15261.8, 0.00317534/step Wall: 15261.8, 0.00317534/step, 0.174643 hours remaining, 239.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4802000 3991.6244 20589.9832 14431.8495 242.6334 -203699.2713 2646.8144 0.0000 0.0000 51943.6709 -109852.6955 298.5210 -161796.3664 -109500.1624 298.9085 -41.8752 -16.2040 757934.0752 -8.1709 -8.0760 PRESSURE: 4802200 50.4284 28.8175 45.1139 28.818 225.694 82.3454 45.114 82.3459 249.755 GPRESSURE: 4802200 91.6466 123.168 93.2372 19.5451 299.695 78.9957 -66.4857 -28.5541 192.161 PRESSAVG: 4802200 65.5889 -5.30064 -59.4355 -5.30064 -11.9265 -21.5023 -59.4356 -21.5024 15.2097 GPRESSAVG: 4802200 67.3665 -6.77645 -60.9294 -5.8291 -14.5504 -21.6654 -58.7255 -22.1806 15.9663 TIMING: 4802200 CPU: 15262.4, 0.00319422/step Wall: 15262.4, 0.00319422/step, 0.175505 hours remaining, 239.558594 MB of memory in use. ENERGY: 4802200 3979.9496 20419.2511 14422.1466 253.4457 -203150.8601 2456.1449 0.0000 0.0000 52112.6401 -109507.2820 299.4921 -161619.9221 -109147.2254 299.0885 175.2927 194.5007 758716.6051 22.9574 22.9275 PRESSURE: 4802400 -14.3447 -115.325 1.22911 -115.325 12.1276 13.555 1.2301 13.5547 235.289 GPRESSURE: 4802400 -29.9812 -122.156 -100.326 -97.9166 62.2799 3.15225 -18.7347 37.8132 283.608 PRESSAVG: 4802400 28.5469 14.7926 -52.1446 14.7926 -6.54928 -20.9092 -52.1445 -20.9093 7.00686 GPRESSAVG: 4802400 26.9087 15.3607 -50.7715 16.2737 -5.10724 -19.7095 -50.7119 -21.4772 6.62927 TIMING: 4802400 CPU: 15263.1, 0.00321857/step Wall: 15263.1, 0.00321857/step, 0.176664 hours remaining, 239.558594 MB of memory in use. ENERGY: 4802400 3975.5681 20492.0527 14503.5128 231.1728 -203343.6723 2343.1556 0.0000 0.0000 52151.8234 -109646.3870 299.7172 -161798.2104 -109274.4186 299.2971 77.6907 105.3023 759468.1640 9.6682 9.4769 PRESSURE: 4802600 -262.203 289.106 -88.4683 289.106 7.68535 -238.376 -88.4691 -238.375 -50.0191 GPRESSURE: 4802600 -207.979 268.616 18.0933 286.916 57.8284 -246.945 -63.4443 -173.967 -77.3119 PRESSAVG: 4802600 -23.6991 33.3494 -40.86 33.3494 10.1837 7.92486 -40.86 7.92474 -17.054 GPRESSAVG: 4802600 -20.9364 33.3253 -40.2001 33.2375 9.50471 7.67042 -41.1127 8.18796 -18.3245 TIMING: 4802600 CPU: 15263.7, 0.00324199/step Wall: 15263.7, 0.00324199/step, 0.177769 hours remaining, 239.558594 MB of memory in use. ENERGY: 4802600 4056.0880 20421.8830 14441.8397 248.2424 -203643.2669 2504.4927 0.0000 0.0000 52142.6523 -109828.0688 299.6645 -161970.7211 -109462.6495 299.3086 -101.5123 -75.8209 760187.3690 -10.1898 -9.9187 PRESSURE: 4802800 29.8746 -64.07 65.1431 -64.0694 100.155 -52.3396 65.1434 -52.3401 315.403 GPRESSURE: 4802800 33.4433 -39.4262 76.8407 -78.4614 232.865 -40.9293 17.3756 -74.9451 257.725 PRESSAVG: 4802800 -9.0329 -10.9281 -43.0524 -10.9281 -32.4725 10.0587 -43.0524 10.0587 -5.39988 GPRESSAVG: 4802800 -10.0715 -8.63038 -42.6359 -13.8034 -31.7461 8.4506 -44.012 10.8561 -4.63975 TIMING: 4802800 CPU: 15264.4, 0.00319166/step Wall: 15264.4, 0.00319166/step, 0.174832 hours remaining, 239.558594 MB of memory in use. ENERGY: 4802800 3980.2218 20399.7884 14401.3060 254.5693 -203639.7359 2667.6024 0.0000 0.0000 51929.1998 -110007.0483 298.4378 -161936.2481 -109649.0864 298.6270 148.4776 174.6777 760025.7209 -15.6351 -15.4858 PRESSURE: 4803000 256.071 58.0465 -275.018 58.0456 365.95 71.1117 -275.018 71.1117 264.52 GPRESSURE: 4803000 238.895 50.6219 -290.405 53.3927 291.249 77.9641 -140.998 226.599 435.619 PRESSAVG: 4803000 55.5457 -37.6773 -37.4252 -37.6774 -10.5598 -8.15334 -37.4252 -8.15336 -16.9141 GPRESSAVG: 4803000 54.1022 -39.5326 -39.084 -37.6503 -9.30609 -8.44276 -36.6079 -6.43364 -16.9405 TIMING: 4803000 CPU: 15265, 0.0032131/step Wall: 15265, 0.0032131/step, 0.175828 hours remaining, 239.558594 MB of memory in use. ENERGY: 4803000 3999.3415 20435.6342 14399.0524 237.7981 -204027.8513 2992.5643 0.0000 0.0000 52065.1852 -109898.2757 299.2193 -161963.4608 -109530.0441 298.4441 295.5135 321.9210 758431.0143 9.3573 9.2852 PRESSURE: 4803200 -181.969 -51.804 20.3695 -51.8045 369.332 93.2691 20.3695 93.2702 -287.944 GPRESSURE: 4803200 -199.854 -118.131 -11.898 -23.0638 349.473 77.148 -40.8645 114.932 -174.191 PRESSAVG: 4803200 -0.022721 -24.7331 22.2255 -24.7331 -6.33469 30.5559 22.2255 30.556 11.1249 GPRESSAVG: 4803200 0.177079 -25.4089 22.7661 -23.8093 -6.22112 30.6467 22.8715 29.0752 10.9799 TIMING: 4803200 CPU: 15265.6, 0.00320398/step Wall: 15265.6, 0.00320398/step, 0.175151 hours remaining, 239.558594 MB of memory in use. ENERGY: 4803200 3951.8888 20439.9068 14350.3582 260.3167 -203380.7085 2369.3021 0.0000 0.0000 51759.5493 -110249.3866 297.4628 -162008.9359 -109891.9066 298.3526 -33.5269 -8.1906 758969.2685 1.5892 1.6453 PRESSURE: 4803400 15.9304 19.5875 84.8118 19.5878 -123.901 3.90546 84.812 3.9057 99.8743 GPRESSURE: 4803400 64.7663 26.5704 -3.14934 -53.0112 -32.3652 -34.8141 16.0224 -18.3097 44.7114 PRESSAVG: 4803400 -14.4444 -20.3426 66.2194 -20.3426 42.8264 -19.2957 66.2195 -19.2957 3.39657 GPRESSAVG: 4803400 -13.2738 -20.874 66.2862 -18.2887 42.4027 -17.1949 67.7053 -18.3654 2.64002 TIMING: 4803400 CPU: 15266.3, 0.00319867/step Wall: 15266.3, 0.00319867/step, 0.174683 hours remaining, 239.558594 MB of memory in use. ENERGY: 4803400 3942.4721 20437.4852 14343.9008 251.6087 -203581.8740 2442.7316 0.0000 0.0000 52003.0569 -110160.6188 298.8623 -162163.6757 -109794.9423 297.9441 -2.6987 25.7042 759468.1149 10.5929 10.5896 PRESSURE: 4803600 20.6695 -162.452 -167.252 -162.452 204.339 -174.717 -167.252 -174.717 26.8702 GPRESSURE: 4803600 -14.7714 -165.346 -99.0875 -105.198 314.114 -170.663 -53.8341 -13.288 7.79341 PRESSAVG: 4803600 -33.5273 4.35769 44.3708 4.35762 40.6338 -17.911 44.3708 -17.9111 -12.4719 GPRESSAVG: 4803600 -33.4684 6.03688 46.4882 3.77439 39.6447 -18.4417 42.1644 -19.2412 -11.899 TIMING: 4803600 CPU: 15266.9, 0.00323794/step Wall: 15266.9, 0.00323794/step, 0.176648 hours remaining, 239.558594 MB of memory in use. ENERGY: 4803600 3976.6321 20564.1730 14416.0776 251.1450 -203761.5489 2651.8556 0.0000 0.0000 51754.5862 -110147.0793 297.4343 -161901.6656 -109783.6810 298.4766 83.9595 102.3787 760565.5200 -1.7885 -1.9076 PRESSURE: 4803800 175.848 144.188 74.8485 144.188 -265.106 -15.4258 74.8494 -15.4267 84.2966 GPRESSURE: 4803800 144.642 77.3198 105.738 -33.4256 -173.216 -138.735 48.7505 -24.0721 119.638 PRESSAVG: 4803800 15.7489 -61.3929 72.371 -61.3929 -22.4892 16.9117 72.371 16.9116 5.35229 GPRESSAVG: 4803800 15.1941 -62.139 70.0516 -60.9634 -22.5308 16.0819 73.1841 17.0892 5.67075 TIMING: 4803800 CPU: 15267.6, 0.00321946/step Wall: 15267.6, 0.00321946/step, 0.175461 hours remaining, 239.558594 MB of memory in use. ENERGY: 4803800 4058.0769 20530.1442 14361.5997 256.0169 -203605.8156 2619.0347 0.0000 0.0000 51571.9949 -110208.9483 296.3850 -161780.9432 -109856.0291 297.9339 -1.6537 30.3545 761535.3167 -0.4627 -0.5553 PRESSURE: 4804000 128.449 -79.8903 212.746 -79.8903 62.0694 184.515 212.747 184.514 22.6524 GPRESSURE: 4804000 145.567 -4.62146 169.015 -131.072 67.0651 197.056 281.087 241.499 60.6947 PRESSAVG: 4804000 -0.552498 -42.2117 45.9173 -42.2117 -68.7592 -19.9377 45.9174 -19.9378 7.02613 GPRESSAVG: 4804000 -1.0689 -42.7293 46.9814 -46.0987 -67.2031 -19.9427 47.6786 -18.9146 5.77273 TIMING: 4804000 CPU: 15268.2, 0.0032176/step Wall: 15268.2, 0.0032176/step, 0.175181 hours remaining, 239.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4804000 3923.4645 20503.0324 14346.2804 215.8635 -203488.7217 2498.2157 0.0000 0.0000 51850.8461 -110151.0191 297.9875 -162001.8652 -109788.6939 297.5216 71.0569 91.1090 761564.4140 -20.7619 -20.8331 PRESSURE: 4804200 49.6067 76.4122 111.632 76.4135 24.0988 155.106 111.631 155.106 -187.736 GPRESSURE: 4804200 102.397 38.541 186.343 181.876 -1.17766 113.065 161.618 207.986 -136.461 PRESSAVG: 4804200 -1.81537 -44.035 18.6665 -44.035 29.7965 27.6084 18.6665 27.6084 4.60028 GPRESSAVG: 4804200 -0.94006 -43.4598 17.4462 -40.7914 28.8808 26.845 17.2461 28.4154 4.93972 TIMING: 4804200 CPU: 15268.9, 0.0032506/step Wall: 15268.9, 0.0032506/step, 0.176796 hours remaining, 239.558594 MB of memory in use. ENERGY: 4804200 3911.5366 20457.8739 14393.6954 233.5200 -203605.9074 2633.3152 0.0000 0.0000 51770.9071 -110205.0592 297.5281 -161975.9663 -109848.7235 298.1069 -38.0101 -11.7472 761615.2578 10.8605 10.9601 LDB: ============= START OF LOAD BALANCING ============== 15281.3 LDB: ============== END OF LOAD BALANCING =============== 15281.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15281.3 LDB: ============= START OF LOAD BALANCING ============== 15281.6 LDB: Largest compute 7048 load 0.034926 is 17.8% of average load 0.196037 LDB: Average compute 0.004393 is 2.2% of average load 0.196037 LDB: TIME 15281.6 LOAD: AVG 0.196037 MAX 0.221219 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 15281.6 LOAD: AVG 0.196037 MAX 0.221219 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.703 MB LDB: TIME 15281.6 LOAD: AVG 0.196037 MAX 0.219648 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.703 MB LDB: ============== END OF LOAD BALANCING =============== 15281.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15281.6 PRESSURE: 4804400 38.4139 13.7804 -6.02334 13.7799 289.801 130.525 -6.02272 130.525 -159.599 GPRESSURE: 4804400 122.688 -96.1675 7.07492 -97.4722 297.438 61.3241 -15.563 118.902 -166.258 PRESSAVG: 4804400 -3.25337 -49.0217 8.55292 -49.0217 -0.814257 41.2252 8.55294 41.2252 5.91377 GPRESSAVG: 4804400 -2.78057 -49.5812 10.2943 -50.0128 -1.20693 43.136 5.33819 40.0827 6.22712 TIMING: 4804400 CPU: 15269.5, 0.00330895/step Wall: 15269.5, 0.00330895/step, 0.179787 hours remaining, 238.210938 MB of memory in use. ENERGY: 4804400 3963.6537 20527.8287 14462.2164 250.4778 -203986.6670 3001.9192 0.0000 0.0000 51741.6422 -110038.9289 297.3599 -161780.5711 -109694.3674 297.6055 56.2054 84.6224 760956.3629 0.6154 0.7465 PRESSURE: 4804600 51.8472 -76.7033 48.8885 -76.7037 190.666 -18.8534 48.888 -18.8529 702.05 GPRESSURE: 4804600 81.7097 -94.7461 -0.384012 16.6636 230.419 -27.668 43.5928 43.0126 745.118 PRESSAVG: 4804600 4.32656 -79.0849 -35.5779 -79.0849 1.32696 20.7584 -35.5779 20.7584 -4.75477 GPRESSAVG: 4804600 5.01105 -78.0232 -36.9862 -78.1924 0.00734958 19.5387 -31.6993 19.0766 -3.58235 TIMING: 4804600 CPU: 15270.2, 0.00320513/step Wall: 15270.2, 0.00320513/step, 0.173967 hours remaining, 238.414062 MB of memory in use. ENERGY: 4804600 3995.6215 20368.6254 14486.3159 223.2910 -204179.5534 3182.3959 0.0000 0.0000 52153.7491 -109769.5547 299.7283 -161923.3038 -109410.7320 298.8818 314.8544 352.4156 759313.3375 0.2996 0.4787 PRESSURE: 4804800 -91.2537 27.5444 -238.807 27.545 -203.29 -180.25 -238.808 -180.25 -169.591 GPRESSURE: 4804800 -135.881 86.5534 -197.233 32.1436 -119.94 -114.11 -226.264 -208.582 -114.79 PRESSAVG: 4804800 -17.4361 -73.5314 5.55049 -73.5314 -3.23224 -13.1694 5.55047 -13.1694 11.638 GPRESSAVG: 4804800 -17.4576 -73.4981 6.87074 -73.9832 -2.8828 -13.0714 5.4538 -10.09 10.824 TIMING: 4804800 CPU: 15270.8, 0.00318675/step Wall: 15270.8, 0.00318675/step, 0.172793 hours remaining, 238.414062 MB of memory in use. ENERGY: 4804800 3966.7877 20488.8660 14471.6257 253.3392 -203157.3915 2408.8550 0.0000 0.0000 51823.3146 -109744.6034 297.8293 -161567.9180 -109372.4951 299.0930 -154.7115 -123.5371 761888.6571 -3.0101 -3.1721 PRESSURE: 4805000 52.6027 -19.0913 109.152 -19.0905 -46.3109 64.9914 109.152 64.9905 -70.3834 GPRESSURE: 4805000 47.2361 -102.227 91.1337 -120.815 12.47 63.6663 149.799 -6.53743 -54.6379 PRESSAVG: 4805000 -4.53275 1.42207 15.8965 1.42205 12.9709 23.4439 15.8965 23.4439 -12.946 GPRESSAVG: 4805000 -4.27866 0.614534 13.5257 1.85294 13.3082 24.0053 17.897 20.724 -13.6619 TIMING: 4805000 CPU: 15271.4, 0.00321563/step Wall: 15271.4, 0.00321563/step, 0.17418 hours remaining, 238.414062 MB of memory in use. ENERGY: 4805000 4035.9193 20454.2408 14456.0436 227.0896 -203408.3260 2375.0997 0.0000 0.0000 52209.3786 -109650.5546 300.0480 -161859.9332 -109294.0959 298.3961 -21.3639 1.6894 760685.5138 -1.5026 -1.5441 PRESSURE: 4805200 -193.528 -95.7865 61.7928 -95.7867 -49.9826 147.375 61.7929 147.375 -200.847 GPRESSURE: 4805200 -76.8101 -52.8453 48.1312 -56.8147 -73.1111 152.049 136.4 108.573 -211.439 PRESSAVG: 4805200 -5.01271 -15.5313 55.0134 -15.5314 14.4721 25.5466 55.0134 25.5467 5.71659 GPRESSAVG: 4805200 -4.57416 -14.0756 55.7597 -14.8942 13.7041 26.6873 52.7352 25.6825 6.17089 TIMING: 4805200 CPU: 15272.1, 0.00320256/step Wall: 15272.1, 0.00320256/step, 0.173294 hours remaining, 238.414062 MB of memory in use. ENERGY: 4805200 4025.4203 20403.0482 14429.6816 243.2708 -203026.4198 2402.6678 0.0000 0.0000 51820.5189 -109701.8122 297.8132 -161522.3311 -109344.2451 299.2127 -148.1193 -120.4534 760905.1910 5.0587 5.1003 PRESSURE: 4805400 -69.4882 26.9804 80.3009 26.9803 -470.966 -197.727 80.3003 -197.729 -475.171 GPRESSURE: 4805400 -132.918 -29.1355 149.689 9.96715 -318.219 -166.566 155.62 -287.525 -465.44 PRESSAVG: 4805400 18.7621 -22.5073 24.5083 -22.5072 17.2758 9.84068 24.5083 9.84065 14.3262 GPRESSAVG: 4805400 16.8632 -22.4154 27.4695 -23.1435 18.5492 10.2244 25.0871 9.23827 14.8974 TIMING: 4805400 CPU: 15272.7, 0.00321543/step Wall: 15272.7, 0.00321543/step, 0.173812 hours remaining, 238.414062 MB of memory in use. ENERGY: 4805400 3982.0656 20332.4295 14411.1070 234.8424 -203235.0353 2302.4151 0.0000 0.0000 52204.3221 -109767.8536 300.0190 -161972.1757 -109398.3063 298.6893 -338.5419 -305.5258 761245.7684 16.7880 16.7699 PRESSURE: 4805600 20.6711 248.507 -164.976 248.506 214.367 213.387 -164.977 213.387 72.5895 GPRESSURE: 4805600 56.159 263.5 -181.54 166.244 246.663 211.058 -162.651 142.464 121.417 PRESSAVG: 4805600 2.91313 -28.8946 24.6178 -28.8946 -29.1671 16.506 24.6179 16.506 4.11796 GPRESSAVG: 4805600 4.23133 -30.1245 23.8518 -27.6427 -30.3251 15.352 25.3601 15.6041 3.8437 TIMING: 4805600 CPU: 15273.4, 0.00322132/step Wall: 15273.4, 0.00322131/step, 0.173951 hours remaining, 238.414062 MB of memory in use. ENERGY: 4805600 4033.1453 20469.0160 14452.5432 237.3554 -203367.4151 2557.8728 0.0000 0.0000 52098.9058 -109518.5765 299.4131 -161617.4823 -109158.3665 299.0831 102.5426 141.4127 760876.8021 -7.3787 -7.4167 PRESSURE: 4805800 30.7267 -131.002 93.4756 -131.002 -78.6059 -85.7424 93.4758 -85.7423 -140.027 GPRESSURE: 4805800 70.023 -7.47692 95.4373 -147.045 -105.146 -91.4335 102.518 56.1851 -76.5702 PRESSAVG: 4805800 -3.74911 -1.67839 5.46752 -1.67832 -11.5556 31.1877 5.46749 31.1876 2.29563 GPRESSAVG: 4805800 -4.64552 -0.791277 4.20336 -2.09205 -11.4074 31.8606 3.91781 33.7032 2.7372 TIMING: 4805800 CPU: 15274, 0.00321744/step Wall: 15274, 0.00321744/step, 0.173563 hours remaining, 238.414062 MB of memory in use. ENERGY: 4805800 4064.6153 20437.1100 14424.8939 229.8629 -203211.8018 2611.5975 0.0000 0.0000 51955.9294 -109487.7929 298.5914 -161443.7223 -109118.5801 299.0402 -62.6354 -37.2310 761911.6742 -4.3364 -4.4386 PRESSURE: 4806000 -604.726 -31.8948 177.015 -31.8951 -300.572 159.762 177.015 159.762 -74.7598 GPRESSURE: 4806000 -495.289 -113.047 159.459 -155.565 -309.535 114.392 170.175 222.278 -79.8475 PRESSAVG: 4806000 -35.1017 -18.2679 63.0209 -18.2679 30.8358 6.91692 63.0209 6.91696 -16.4008 GPRESSAVG: 4806000 -34.4397 -17.1904 63.6666 -20.664 32.2764 6.73729 63.8062 7.02418 -18.334 TIMING: 4806000 CPU: 15274.7, 0.00320057/step Wall: 15274.7, 0.00320057/step, 0.172475 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4806000 4033.2691 20565.6855 14446.2468 214.8155 -203358.5257 2647.9882 0.0000 0.0000 51928.8283 -109521.6924 298.4357 -161450.5206 -109147.7912 299.1837 -326.6859 -294.8904 761952.6665 -6.8889 -6.8324 PRESSURE: 4806200 307.702 -93.5085 -171.608 -93.5081 215.149 -35.4764 -171.609 -35.4772 -104.482 GPRESSURE: 4806200 261.189 -128.219 -237.672 -80.4838 281.196 7.64211 -78.3822 -14.7212 -52.6052 PRESSAVG: 4806200 -27.3309 -65.3455 56.9614 -65.3455 32.8846 -24.9421 56.9615 -24.9422 13.4895 GPRESSAVG: 4806200 -26.3191 -65.5933 59.0601 -65.1036 31.1871 -27.7149 56.1955 -25.756 14.3878 TIMING: 4806200 CPU: 15275.3, 0.00321331/step Wall: 15275.3, 0.00321331/step, 0.172983 hours remaining, 238.414062 MB of memory in use. ENERGY: 4806200 4010.8774 20457.2293 14357.9549 232.2832 -203504.6826 2759.8920 0.0000 0.0000 52132.0445 -109554.4012 299.6036 -161686.4457 -109188.3346 299.1589 139.4562 163.2601 759592.6489 6.3477 6.4186 PRESSURE: 4806400 195.583 119.106 338.058 119.105 0.68744 -384.694 338.059 -384.693 -337.063 GPRESSURE: 4806400 217.463 74.5875 326.465 54.8384 28.9683 -472.696 332.124 -195.928 -301.84 PRESSAVG: 4806400 -9.79727 -26.82 19.0694 -26.82 19.6982 -16.0542 19.0695 -16.0543 -5.09954 GPRESSAVG: 4806400 -10.7693 -25.5525 18.0333 -26.6102 20.0806 -13.6442 19.284 -16.3235 -5.2 TIMING: 4806400 CPU: 15275.9, 0.00321046/step Wall: 15275.9, 0.00321046/step, 0.172652 hours remaining, 238.414062 MB of memory in use. ENERGY: 4806400 3976.6092 20570.8806 14422.1206 263.3101 -203807.5953 2721.8697 0.0000 0.0000 52203.2851 -109649.5199 300.0130 -161852.8050 -109282.2288 299.2051 -46.9308 -18.4694 759633.4056 1.6005 1.3704 PRESSURE: 4806600 27.5582 -145.87 -111.03 -145.871 160.78 84.0049 -111.031 84.0038 -45.4278 GPRESSURE: 4806600 62.1698 -79.4289 -102.16 -180.495 237.522 96.7594 -77.896 97.2484 -60.8171 PRESSAVG: 4806600 4.75903 -65.964 -4.98673 -65.964 38.2969 -7.74808 -4.98676 -7.7481 -16.1208 GPRESSAVG: 4806600 5.63641 -67.7534 -7.06426 -65.799 38.4871 -8.25839 -4.53294 -6.91791 -16.9789 TIMING: 4806600 CPU: 15276.6, 0.00321728/step Wall: 15276.6, 0.00321728/step, 0.172839 hours remaining, 238.414062 MB of memory in use. ENERGY: 4806600 4053.5493 20532.2351 14440.8252 263.0381 -203212.3964 2356.6670 0.0000 0.0000 51847.7886 -109718.2932 297.9700 -161566.0817 -109358.8554 298.9914 47.6370 79.6248 759419.1460 8.9784 9.0482 PRESSURE: 4806800 -18.8434 -12.4527 98.1174 -12.4522 -48.4402 46.2833 98.1172 46.2824 -351.898 GPRESSURE: 4806800 -10.1721 -130.91 98.5946 53.4547 -32.0027 104.044 49.7486 -26.9727 -292.232 PRESSAVG: 4806800 -32.5533 -2.85884 40.3547 -2.85884 35.4138 13.5435 40.3547 13.5435 21.7305 GPRESSAVG: 4806800 -32.9855 -0.857726 39.1582 -5.0452 34.8987 12.3583 42.8607 13.4644 22.272 TIMING: 4806800 CPU: 15277.2, 0.00319994/step Wall: 15277.2, 0.00319994/step, 0.17173 hours remaining, 238.414062 MB of memory in use. ENERGY: 4806800 3976.3138 20487.5124 14415.2496 233.6266 -203679.3341 2767.8253 0.0000 0.0000 52211.9638 -109586.8426 300.0629 -161798.8065 -109226.9988 299.0802 -139.7271 -111.4690 761121.0481 8.1970 8.0617 PRESSURE: 4807000 -38.1055 -132.364 73.6462 -132.365 69.4202 -51.425 73.6458 -51.4257 -366.594 GPRESSURE: 4807000 -20.8499 -177.418 103.699 -122.002 133.023 -105.022 -20.4599 -46.2468 -371.321 PRESSAVG: 4807000 -7.8458 6.90824 2.89738 6.90828 -6.91052 -18.4916 2.89737 -18.4916 11.0211 GPRESSAVG: 4807000 -9.80425 6.43953 6.39416 7.58464 -5.60465 -18.2473 -2.61589 -17.5248 11.427 TIMING: 4807000 CPU: 15277.9, 0.00320119/step Wall: 15277.9, 0.00320119/step, 0.171619 hours remaining, 238.414062 MB of memory in use. ENERGY: 4807000 3995.1732 20572.1297 14433.1564 232.2860 -202956.7444 2206.7651 0.0000 0.0000 52061.6115 -109455.6225 299.1988 -161517.2340 -109089.8704 298.9579 -111.7599 -86.3827 762827.2199 -1.2451 -1.3273 PRESSURE: 4807200 213.36 143.266 1.58158 143.266 -51.3232 91.8145 1.58042 91.8157 -68.1001 GPRESSURE: 4807200 201.394 70.1107 -100.929 33.0134 -48.7007 185.239 52.0481 199.561 5.30584 PRESSAVG: 4807200 -51.8395 -9.60267 18.2319 -9.60265 20.1924 29.0847 18.2318 29.0846 -10.0229 GPRESSAVG: 4807200 -50.0735 -11.1514 16.7617 -8.18949 18.1973 29.4458 20.0154 28.0839 -9.77019 TIMING: 4807200 CPU: 15278.5, 0.00321952/step Wall: 15278.5, 0.00321952/step, 0.172423 hours remaining, 238.414062 MB of memory in use. ENERGY: 4807200 3944.0724 20554.2589 14481.5481 245.1892 -203370.4233 2504.0576 0.0000 0.0000 52103.3884 -109537.9088 299.4389 -161641.2971 -109173.5726 299.4984 31.3123 52.6663 761001.4139 -13.8900 -13.8821 PRESSURE: 4807400 -93.5977 -89.7298 -221.429 -89.7301 -92.8149 235.622 -221.43 235.622 -117.082 GPRESSURE: 4807400 -191.518 -160.366 -153.259 -78.0486 19.4396 261.291 -63.0009 111.174 -49.2173 PRESSAVG: 4807400 0.191621 -52.7042 3.95885 -52.7043 -23.7417 21.9828 3.95881 21.9829 26.4293 GPRESSAVG: 4807400 -0.982063 -52.0615 5.55852 -52.0937 -22.8795 20.5196 4.84523 22.8587 26.7779 TIMING: 4807400 CPU: 15279.1, 0.00320328/step Wall: 15279.1, 0.00320327/step, 0.171375 hours remaining, 238.414062 MB of memory in use. ENERGY: 4807400 3953.4254 20501.3018 14446.0583 235.6811 -203191.6296 2459.6862 0.0000 0.0000 52142.6698 -109452.8069 299.6646 -161595.4767 -109096.8538 299.1233 -101.1649 -73.7654 759919.5115 0.9597 0.9721 PRESSURE: 4807600 -320.483 -196.919 -27.7197 -196.919 -223.799 13.2306 -27.7186 13.2296 -121.56 GPRESSURE: 4807600 -216.94 -192.154 21.3254 -187.408 -196.987 -121.48 -68.4936 59.6673 -180.191 PRESSAVG: 4807600 -15.325 -30.9741 45.9385 -30.9742 -0.665913 12.201 45.9385 12.201 15.5791 GPRESSAVG: 4807600 -13.9902 -30.7566 44.8344 -30.7882 -0.693254 13.3793 46.1 12.2032 14.9309 TIMING: 4807600 CPU: 15279.8, 0.00320538/step Wall: 15279.8, 0.00320538/step, 0.17131 hours remaining, 238.414062 MB of memory in use. ENERGY: 4807600 4022.8355 20535.9043 14480.9182 278.8622 -202847.2880 2180.2356 0.0000 0.0000 51920.5362 -109427.9961 298.3880 -161348.5323 -109064.1354 298.9607 -221.9474 -198.0395 760301.9323 -0.1372 0.0825 PRESSURE: 4807800 8.23541 -48.9454 -16.8662 -48.9453 -131.527 94.9467 -16.8667 94.9475 45.3214 GPRESSURE: 4807800 0.862473 -114.646 -149.919 -4.77119 -41.5669 100.779 38.4134 87.4403 31.8334 PRESSAVG: 4807800 -30.0892 -77.8272 -16.7443 -77.8272 -2.4428 28.187 -16.7443 28.187 7.18963 GPRESSAVG: 4807800 -30.2946 -77.7128 -16.8538 -78.2858 -3.53341 27.2251 -17.1385 28.4462 8.41012 TIMING: 4807800 CPU: 15280.4, 0.00317952/step Wall: 15280.4, 0.00317953/step, 0.169751 hours remaining, 238.414062 MB of memory in use. ENERGY: 4807800 4029.4566 20516.0485 14415.2391 239.2548 -203435.2493 2614.4508 0.0000 0.0000 52261.5468 -109359.2527 300.3478 -161620.7994 -108990.5127 299.6317 -25.9901 -2.9570 761513.2766 -8.4475 -8.4726 PRESSURE: 4808000 -414.704 -268.316 124.46 -268.316 -232.371 -215.091 124.46 -215.089 -422.789 GPRESSURE: 4808000 -381.152 -115.366 123.16 -151.679 -206.173 -241.331 245.123 -157.623 -401.159 PRESSAVG: 4808000 -22.1051 -88.3163 -20.4046 -88.3163 -9.73757 -31.9458 -20.4046 -31.9458 19.9274 GPRESSAVG: 4808000 -22.2678 -88.6056 -19.7864 -88.0428 -8.75529 -30.0543 -21.1812 -34.1124 18.9826 TIMING: 4808000 CPU: 15281.1, 0.00321876/step Wall: 15281.1, 0.00321876/step, 0.171667 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4808000 4004.5016 20531.6728 14376.0980 232.0595 -203022.9430 2561.5810 0.0000 0.0000 52252.3069 -109064.7231 300.2947 -161317.0300 -108696.1230 300.6168 -356.6212 -329.4950 763187.6287 -3.9718 -4.0135 PRESSURE: 4808200 -106.083 -75.4923 -172.878 -75.4928 60.0262 35.9033 -172.878 35.9036 543.738 GPRESSURE: 4808200 19.3302 -39.0942 -231.873 -65.068 29.0988 -12.4497 -122.413 44.4727 535.642 PRESSAVG: 4808200 33.3772 -40.9062 29.0407 -40.9062 -38.1879 23.9371 29.0407 23.9371 18.4893 GPRESSAVG: 4808200 34.7521 -40.1189 27.8889 -42.1009 -39.6996 21.0239 29.3749 27.9652 18.4601 TIMING: 4808200 CPU: 15281.7, 0.00321513/step Wall: 15281.7, 0.00321513/step, 0.171295 hours remaining, 238.414062 MB of memory in use. ENERGY: 4808200 4005.6180 20518.6356 14434.5118 240.5516 -203271.2245 2840.5463 0.0000 0.0000 51970.2554 -109261.1058 298.6738 -161231.3611 -108902.8964 299.5616 165.8938 194.6904 760914.7681 4.5595 4.5042 LDB: ============= START OF LOAD BALANCING ============== 15294.1 LDB: ============== END OF LOAD BALANCING =============== 15294.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15294.1 LDB: ============= START OF LOAD BALANCING ============== 15294.4 LDB: Largest compute 7025 load 0.034596 is 17.6% of average load 0.196105 LDB: Average compute 0.004385 is 2.2% of average load 0.196105 LDB: TIME 15294.4 LOAD: AVG 0.196105 MAX 0.222341 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.473 MB LDB: TIME 15294.4 LOAD: AVG 0.196105 MAX 0.222341 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.473 MB LDB: TIME 15294.4 LOAD: AVG 0.196105 MAX 0.218837 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.473 MB LDB: ============== END OF LOAD BALANCING =============== 15294.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15294.4 PRESSURE: 4808400 -181.993 157.792 18.8874 157.792 -186.1 317.246 18.8873 317.246 -282.429 GPRESSURE: 4808400 -140.231 28.6197 -77.9158 175.244 -130.572 315.093 6.25384 335.82 -316.249 PRESSAVG: 4808400 -22.173 -56.685 -1.41757 -56.685 35.567 51.2956 -1.41754 51.2957 5.4526 GPRESSAVG: 4808400 -23.8693 -58.302 -2.38029 -53.3654 37.6506 53.3188 -0.516489 47.2814 5.24055 TIMING: 4808400 CPU: 15282.4, 0.00327826/step Wall: 15282.4, 0.00327826/step, 0.174476 hours remaining, 238.410156 MB of memory in use. ENERGY: 4808400 3947.4764 20514.7733 14365.4221 254.0470 -203388.8737 2709.7082 0.0000 0.0000 52133.4678 -109463.9790 299.6118 -161597.4468 -109094.5017 298.6311 -216.8408 -195.6841 762734.1922 6.2822 6.3406 PRESSURE: 4808600 211.948 155.774 -7.77059 155.774 157.432 122.546 -7.77015 122.547 206.736 GPRESSURE: 4808600 312.209 139.183 -13.2739 97.475 195.95 164.266 -24.2136 112.866 153.671 PRESSAVG: 4808600 -2.03698 2.01572 9.98233 2.01566 -38.5119 44.6135 9.98234 44.6135 -22.1541 GPRESSAVG: 4808600 -0.708231 1.28015 10.0183 0.173065 -40.3195 44.5374 11.4846 46.4378 -21.428 TIMING: 4808600 CPU: 15283, 0.00321402/step Wall: 15283, 0.00321402/step, 0.170879 hours remaining, 238.410156 MB of memory in use. ENERGY: 4808600 4004.6288 20466.1983 14330.1626 246.3138 -203227.7000 2610.7806 0.0000 0.0000 52123.3568 -109446.2590 299.5536 -161569.6159 -109088.2459 299.4682 192.0385 220.6098 764068.9173 -20.9010 -20.8186 PRESSURE: 4808800 -101.029 65.2154 -25.2369 65.2158 282.675 39.8848 -25.2356 39.8848 77.4574 GPRESSURE: 4808800 11.1164 11.9673 -51.6498 79.819 261.925 16.6424 80.1565 101.063 83.594 PRESSAVG: 4808800 25.0369 -22.5954 -14.807 -22.5953 5.03809 25.7785 -14.8069 25.7785 15.6164 GPRESSAVG: 4808800 24.6268 -21.8076 -11.8007 -24.0138 5.80779 24.7667 -17.6292 27.4641 15.5605 TIMING: 4808800 CPU: 15283.7, 0.00321139/step Wall: 15283.7, 0.00321139/step, 0.17056 hours remaining, 238.410156 MB of memory in use. ENERGY: 4808800 3946.6267 20564.2114 14497.9356 252.6791 -203331.7795 2728.8408 0.0000 0.0000 51936.2196 -109405.2664 298.4782 -161341.4859 -109056.6007 298.7831 86.3677 118.8785 761538.7933 15.2305 15.3317 PRESSURE: 4809000 23.877 8.2588 100.31 8.2587 -145.795 191.176 100.311 191.177 206.159 GPRESSURE: 4809000 -88.119 121.751 143.436 6.18053 24.6264 166.814 116.527 52.9977 240.204 PRESSAVG: 4809000 -60.6296 -49.9542 63.7427 -49.9542 75.8786 54.1492 63.7427 54.1492 5.53641 GPRESSAVG: 4809000 -60.4431 -49.9141 61.3579 -47.0009 76.4104 53.6009 64.5348 52.7151 5.03811 TIMING: 4809000 CPU: 15284.3, 0.00320899/step Wall: 15284.3, 0.00320899/step, 0.170255 hours remaining, 238.410156 MB of memory in use. ENERGY: 4809000 3966.2965 20470.8240 14485.8593 256.9047 -203306.9383 2613.8484 0.0000 0.0000 52101.1663 -109412.0391 299.4261 -161513.2055 -109056.2102 299.2207 28.0806 58.9036 761586.1384 6.9285 7.0018 PRESSURE: 4809200 -177.197 -122.336 165.181 -122.336 -124.406 -241.288 165.181 -241.287 -69.5599 GPRESSURE: 4809200 -100.778 -225.354 178.793 -118.57 -25.9429 -221.569 -34.0182 -224.255 -157.509 PRESSAVG: 4809200 -37.7771 -43.9961 62.6634 -43.9961 42.1624 19.8028 62.6634 19.8029 -3.72601 GPRESSAVG: 4809200 -37.6963 -43.6441 62.8472 -46.382 42.3235 21.6123 62.7856 20.2578 -4.17167 TIMING: 4809200 CPU: 15284.9, 0.00318733/step Wall: 15284.9, 0.00318733/step, 0.168928 hours remaining, 238.410156 MB of memory in use. ENERGY: 4809200 3924.1782 20586.2849 14454.9323 266.3941 -203503.5191 2587.2261 0.0000 0.0000 52157.2253 -109527.2782 299.7483 -161684.5035 -109166.7214 299.2236 -123.7211 -94.7433 761574.2459 0.2198 0.1518 PRESSURE: 4809400 -104.484 98.9116 173.107 98.9112 106.484 154.676 173.107 154.675 -44.3237 GPRESSURE: 4809400 -31.9647 -27.4797 124.742 4.82504 88.8055 184.305 80.3796 134.716 -5.84626 PRESSAVG: 4809400 -48.8235 -17.5093 14.724 -17.5093 25.1041 76.5449 14.7241 76.5448 -10.8614 GPRESSAVG: 4809400 -49.5755 -17.7046 14.9222 -18.8049 24.6525 76.002 13.3641 77.4875 -9.68697 TIMING: 4809400 CPU: 15285.6, 0.00319201/step Wall: 15285.6, 0.00319201/step, 0.168999 hours remaining, 238.410156 MB of memory in use. ENERGY: 4809400 3865.0883 20546.6245 14418.4264 247.6908 -203335.5912 2521.5896 0.0000 0.0000 52098.9340 -109637.2377 299.4133 -161736.1717 -109277.1507 299.3628 -14.1078 16.9982 762952.8344 -11.5269 -11.5367 PRESSURE: 4809600 67.1617 60.1986 -130.786 60.1989 255.168 60.3099 -130.786 60.3097 -241.419 GPRESSURE: 4809600 14.8357 156.895 -88.6638 -104.274 319.335 62.0532 -67.1834 3.44601 -163.153 PRESSAVG: 4809600 -38.713 -60.8453 -34.5275 -60.8453 68.7106 45.9137 -34.5275 45.9137 -31.0194 GPRESSAVG: 4809600 -38.725 -61.5004 -33.5095 -58.1885 69.3157 47.5177 -33.1219 41.7352 -31.7284 TIMING: 4809600 CPU: 15286.2, 0.0031751/step Wall: 15286.2, 0.0031751/step, 0.167927 hours remaining, 238.410156 MB of memory in use. ENERGY: 4809600 3930.8195 20471.5236 14448.4213 261.1142 -203550.6739 2586.6641 0.0000 0.0000 52103.8365 -109748.2947 299.4415 -161852.1312 -109392.9183 298.8548 26.9702 57.0057 760807.6661 -0.3406 -0.3792 PRESSURE: 4809800 -340.773 29.5814 -210.447 29.5811 -197.571 -24.2654 -210.448 -24.264 -269.882 GPRESSURE: 4809800 -318.283 -44.9934 -143.079 21.8933 -163.214 -71.4439 -164.287 -20.148 -254.115 PRESSAVG: 4809800 -19.0409 -37.2272 -21.8897 -37.2273 26.0741 26.3321 -21.8897 26.3321 2.66963 GPRESSAVG: 4809800 -19.3218 -36.1179 -21.6645 -37.9803 26.1947 25.4144 -21.241 29.6595 2.72459 TIMING: 4809800 CPU: 15286.8, 0.00319057/step Wall: 15286.8, 0.00319057/step, 0.168569 hours remaining, 238.410156 MB of memory in use. ENERGY: 4809800 4082.4826 20496.9020 14467.9550 245.5630 -203195.7410 2540.3869 0.0000 0.0000 51944.8796 -109417.5719 298.5279 -161362.4515 -109061.7776 298.6995 -269.4085 -245.2040 762299.6019 3.2343 3.1992 PRESSURE: 4810000 -263.73 -194.274 307.744 -194.274 -337.019 150.018 307.744 150.02 -85.4682 GPRESSURE: 4810000 -260.43 -181.535 176.459 -256.937 -305.629 155.92 268.345 179.812 -43.8664 PRESSAVG: 4810000 -47.8285 -52.2643 -16.9927 -52.2643 4.75743 71.9415 -16.9928 71.9414 -26.767 GPRESSAVG: 4810000 -47.6912 -53.1453 -18.2087 -53.635 4.39043 70.887 -16.7581 71.2172 -26.8245 TIMING: 4810000 CPU: 15287.5, 0.00319371/step Wall: 15287.5, 0.00319371/step, 0.168557 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4810000 4000.1424 20557.1452 14486.7224 240.1991 -203375.8209 2525.9591 0.0000 0.0000 52029.6046 -109536.0480 299.0149 -161565.6527 -109180.2207 299.5186 -228.7390 -203.3083 762098.4787 -23.2793 -23.3751 PRESSURE: 4810200 160.76 -120.049 341.497 -120.049 265.056 208.246 341.498 208.247 -93.4728 GPRESSURE: 4810200 187.96 -154.526 255.617 -8.71838 306.945 174.078 339.804 150.033 -77.0844 PRESSAVG: 4810200 -40.9255 -29.8243 42.4332 -29.8243 63.6805 16.4969 42.4332 16.4969 -30.0253 GPRESSAVG: 4810200 -41.0426 -29.9482 43.0848 -26.5713 64.1435 18.1785 40.5178 15.1935 -30.5026 TIMING: 4810200 CPU: 15288.1, 0.00318566/step Wall: 15288.1, 0.00318566/step, 0.167955 hours remaining, 238.410156 MB of memory in use. ENERGY: 4810200 4032.1779 20725.2274 14445.3467 266.2582 -203892.2119 2682.0024 0.0000 0.0000 52183.5622 -109557.6372 299.8996 -161741.1994 -109189.9733 299.7367 110.7809 139.2734 760976.8095 -2.4234 -2.4672 PRESSURE: 4810400 -18.2035 -136.312 -213.807 -136.312 -333.775 -86.8721 -213.807 -86.8727 -233.253 GPRESSURE: 4810400 -48.0251 -25.2854 -240.397 -157.685 -243.412 -82.6473 -295.313 -97.8265 -213.83 PRESSAVG: 4810400 23.8013 -9.9337 -7.226 -9.93367 45.4749 -53.8555 -7.226 -53.8555 13.1354 GPRESSAVG: 4810400 24.0836 -9.83973 -7.36964 -12.1615 44.6351 -54.3438 -6.18459 -55.0121 13.3887 TIMING: 4810400 CPU: 15288.8, 0.00320164/step Wall: 15288.8, 0.00320164/step, 0.16862 hours remaining, 238.410156 MB of memory in use. ENERGY: 4810400 3984.0655 20634.3823 14481.1636 248.7141 -203573.9182 2482.3293 0.0000 0.0000 52102.0141 -109641.2493 299.4310 -161743.2634 -109289.8529 299.6928 -195.0769 -168.4225 759979.4551 27.4705 27.3691 PRESSURE: 4810600 113.725 -71.9681 -158.821 -71.9682 -189.221 -212.279 -158.82 -212.279 116.284 GPRESSURE: 4810600 130.646 -80.0418 -106.202 -54.3364 -121.57 -226.256 -146.231 -99.7653 121.076 PRESSAVG: 4810600 2.10573 -74.9566 -34.5633 -74.9566 -1.54021 29.7044 -34.5633 29.7043 -17.2193 GPRESSAVG: 4810600 2.47325 -76.0991 -34.7615 -76.5328 -2.31278 30.2232 -32.3275 31.125 -16.6187 TIMING: 4810600 CPU: 15289.4, 0.00319148/step Wall: 15289.4, 0.00319148/step, 0.167907 hours remaining, 238.410156 MB of memory in use. ENERGY: 4810600 4062.3273 20513.5772 14424.6237 264.2905 -203540.8143 2738.8112 0.0000 0.0000 52210.3947 -109326.7896 300.0539 -161537.1844 -108973.9829 299.5560 13.5962 43.3843 760531.0049 -5.5513 -5.4861 PRESSURE: 4810800 -52.4799 176.869 144.179 176.868 -84.2527 -48.679 144.18 -48.6792 72.2175 GPRESSURE: 4810800 -92.2724 229.295 93.5741 140.744 -4.51965 -84.4932 203.353 39.7698 116.531 PRESSAVG: 4810800 -20.9764 -39.957 13.6577 -39.957 29.9361 24.2983 13.6577 24.2983 10.9828 GPRESSAVG: 4810800 -21.8676 -37.7611 14.3786 -36.8008 30.0186 22.6933 12.4791 25.3052 11.56 TIMING: 4810800 CPU: 15290, 0.00316592/step Wall: 15290, 0.00316592/step, 0.166386 hours remaining, 238.410156 MB of memory in use. ENERGY: 4810800 4040.5708 20585.3662 14419.1476 255.3761 -203495.7000 2759.3106 0.0000 0.0000 52316.2148 -109119.7139 300.6620 -161435.9287 -108749.3190 300.0266 -21.5050 6.5796 760928.2050 6.6475 6.5704 PRESSURE: 4811000 96.4276 -106.026 -179.473 -106.027 -96.5907 168.773 -179.474 168.773 -199.635 GPRESSURE: 4811000 -42.366 -33.2677 -206.967 -43.352 55.9486 158.227 -130.823 60.8607 -123.519 PRESSAVG: 4811000 -2.32752 -30.2322 -0.471471 -30.2322 -23.5628 27.5196 -0.471508 27.5196 -0.859246 GPRESSAVG: 4811000 -1.74702 -31.6286 -2.10879 -27.567 -22.8341 27.7848 0.493502 27.6868 -1.7223 TIMING: 4811000 CPU: 15290.7, 0.00316273/step Wall: 15290.7, 0.00316273/step, 0.166043 hours remaining, 238.410156 MB of memory in use. ENERGY: 4811000 3978.4643 20473.6645 14422.4699 235.6385 -203264.3733 2533.6434 0.0000 0.0000 52280.6438 -109339.8489 300.4576 -161620.4927 -108978.5325 299.6582 -66.5993 -36.6456 760489.7537 -8.9165 -8.7678 PRESSURE: 4811200 -64.3184 -86.287 -13.7109 -86.2866 -69.1835 195.947 -13.7108 195.946 189.985 GPRESSURE: 4811200 -94.4464 -110.271 -28.67 85.5058 13.2041 247.578 -32.29 66.4752 190.594 PRESSAVG: 4811200 87.9437 -52.046 41.4562 -52.046 -71.6483 6.08865 41.4562 6.0885 6.47204 GPRESSAVG: 4811200 87.219 -49.9521 41.5154 -55.1403 -71.0207 5.22473 41.2593 4.34353 6.5896 TIMING: 4811200 CPU: 15291.3, 0.00318432/step Wall: 15291.3, 0.00318432/step, 0.167 hours remaining, 238.410156 MB of memory in use. ENERGY: 4811200 3984.9830 20460.2721 14443.0413 247.1354 -203265.3133 2455.6546 0.0000 0.0000 52249.7310 -109424.4960 300.2799 -161674.2269 -109063.0654 299.6059 18.8277 36.4505 762595.3461 7.5891 7.5960 PRESSURE: 4811400 210.091 -45.114 205.436 -45.1133 -124.512 -169.584 205.436 -169.583 -138.839 GPRESSURE: 4811400 138.174 -139.444 115.305 -108.595 -13.4247 -157.17 384.179 -145.068 -94.4236 PRESSAVG: 4811400 -23.3349 -41.7577 13.9683 -41.7577 17.0464 38.7374 13.9683 38.7375 5.41443 GPRESSAVG: 4811400 -22.3292 -43.6331 14.9355 -42.324 16.9155 39.9615 12.8527 40.1155 5.19164 TIMING: 4811400 CPU: 15291.9, 0.00317717/step Wall: 15291.9, 0.00317717/step, 0.166449 hours remaining, 238.410156 MB of memory in use. ENERGY: 4811400 3887.4340 20641.3790 14414.3676 245.9364 -203451.8974 2409.7471 0.0000 0.0000 52153.8207 -109699.2125 299.7287 -161853.0332 -109333.3127 299.1206 -17.7534 10.1087 760677.5112 -0.2914 -0.0740 PRESSURE: 4811600 -34.7941 21.861 40.254 21.8604 3.61682 86.7837 40.2539 86.7845 -6.85765 GPRESSURE: 4811600 -4.06858 47.4153 -20.6489 -27.1265 27.841 93.6151 5.9749 166.105 26.5914 PRESSAVG: 4811600 -4.02884 -72.0281 16.2492 -72.0282 2.5377 48.3453 16.2492 48.3454 7.74472 GPRESSAVG: 4811600 -4.76024 -70.9317 16.037 -71.102 2.51965 47.5005 18.7051 47.4789 8.74179 TIMING: 4811600 CPU: 15292.6, 0.0031658/step Wall: 15292.6, 0.0031658/step, 0.165677 hours remaining, 238.410156 MB of memory in use. ENERGY: 4811600 4011.2792 20492.7001 14376.7382 232.9160 -203610.2127 2690.0885 0.0000 0.0000 52138.2103 -109668.2804 299.6390 -161806.4907 -109303.1948 299.0685 -12.6783 16.7879 761098.3166 2.0845 2.1671 PRESSURE: 4811800 -53.1171 -135.46 -192.479 -135.46 -265.579 6.34213 -192.479 6.34127 403.719 GPRESSURE: 4811800 39.2443 -170.216 -200.467 -38.9424 -226.288 74.0673 -202.171 53.1272 360.104 PRESSAVG: 4811800 4.10877 -28.9762 7.35724 -28.9763 -19.0752 53.9969 7.35725 53.997 5.5885 GPRESSAVG: 4811800 5.23821 -30.512 6.37786 -28.1416 -19.7636 53.3077 4.49515 54.4535 4.71848 TIMING: 4811800 CPU: 15293.2, 0.00317993/step Wall: 15293.2, 0.00317992/step, 0.166239 hours remaining, 238.410156 MB of memory in use. ENERGY: 4811800 3990.2602 20481.5854 14378.5086 257.0473 -203431.2537 2547.6069 0.0000 0.0000 52005.0640 -109771.1813 298.8738 -161776.2453 -109418.0176 298.6068 28.3410 57.6870 761405.4093 -3.1260 -3.2690 PRESSURE: 4812000 -275.406 -59.4886 119.322 -59.4885 -254.044 91.9905 119.322 91.9912 -111.816 GPRESSURE: 4812000 -205.255 -79.9291 112.391 12.3492 -296.778 102.825 96.4609 163.91 -52.9336 PRESSAVG: 4812000 -4.00666 -20.8148 21.7093 -20.8148 -62.8353 28.2243 21.7094 28.2243 -30.6976 GPRESSAVG: 4812000 -4.55945 -21.6493 22.1689 -21.0127 -61.7901 29.9012 22.7922 27.8175 -30.9363 TIMING: 4812000 CPU: 15293.8, 0.00320918/step Wall: 15293.8, 0.00320918/step, 0.167591 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4812000 3972.9692 20420.9006 14361.1271 229.3567 -203376.8917 2541.9179 0.0000 0.0000 52054.5169 -109796.1033 299.1580 -161850.6202 -109431.2827 298.4450 -213.7555 -184.9888 762505.0491 -32.5132 -32.4286 PRESSURE: 4812200 141.638 67.2009 -54.7514 67.2013 70.8154 -88.2564 -54.7519 -88.2566 -77.6704 GPRESSURE: 4812200 181.886 75.9684 12.8546 101.36 58.5703 -59.4438 -135.189 -129.457 -16.9043 PRESSAVG: 4812200 6.15239 -19.6281 -15.0376 -19.6281 0.340009 6.00922 -15.0377 6.0092 11.189 GPRESSAVG: 4812200 6.32937 -17.7842 -13.811 -20.3939 0.0670353 4.10016 -15.4305 4.99273 10.7426 TIMING: 4812200 CPU: 15294.5, 0.00317958/step Wall: 15294.5, 0.00317958/step, 0.165868 hours remaining, 238.410156 MB of memory in use. ENERGY: 4812200 3910.7472 20572.3319 14427.6159 244.3340 -203180.9113 2252.9015 0.0000 0.0000 51896.2493 -109876.7315 298.2485 -161772.9808 -109520.5879 298.3542 44.9277 74.5173 760520.3091 5.8938 5.7130 LDB: ============= START OF LOAD BALANCING ============== 15306.9 LDB: ============== END OF LOAD BALANCING =============== 15306.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15306.9 LDB: ============= START OF LOAD BALANCING ============== 15307.2 LDB: Largest compute 7025 load 0.035049 is 17.9% of average load 0.196012 LDB: Average compute 0.004404 is 2.2% of average load 0.196012 LDB: TIME 15307.2 LOAD: AVG 0.196012 MAX 0.219757 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.492 MB LDB: TIME 15307.2 LOAD: AVG 0.196012 MAX 0.219757 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: TIME 15307.2 LOAD: AVG 0.196012 MAX 0.218359 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: ============== END OF LOAD BALANCING =============== 15307.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15307.2 PRESSURE: 4812400 255.931 136.924 -45.9163 136.924 -248.608 250.555 -45.9167 250.554 331.316 GPRESSURE: 4812400 183.418 -27.5811 -62.8527 57.0671 -69.6099 265.394 87.2769 355.668 310.065 PRESSAVG: 4812400 16.4039 -5.08146 36.5168 -5.08146 -7.25368 67.6237 36.5168 67.6237 -10.3491 GPRESSAVG: 4812400 16.1889 -6.36387 36.4637 -5.22309 -7.9367 67.9672 36.0189 67.353 -10.0059 TIMING: 4812400 CPU: 15295.1, 0.00324992/step Wall: 15295.1, 0.00324992/step, 0.169357 hours remaining, 238.472656 MB of memory in use. ENERGY: 4812400 3983.0163 20413.2208 14477.6995 253.4332 -203307.8770 2433.3202 0.0000 0.0000 51969.2759 -109777.9112 298.6681 -161747.1871 -109424.1104 298.2676 112.8796 141.2908 759313.1922 -0.3996 -0.5846 PRESSURE: 4812600 -75.7007 -178.243 41.4731 -178.243 -123.208 276.152 41.4734 276.152 -267.351 GPRESSURE: 4812600 5.7803 -216.899 108.543 -86.0649 -88.5154 281.416 -49.5752 190.929 -283.795 PRESSAVG: 4812600 30.0991 -23.3644 -16.5758 -23.3644 -22.9349 31.8358 -16.5758 31.8358 -8.89224 GPRESSAVG: 4812600 30.1834 -21.4795 -16.9046 -25.7386 -22.5454 32.8415 -14.2167 33.4393 -9.0411 TIMING: 4812600 CPU: 15295.8, 0.00320021/step Wall: 15295.8, 0.00320021/step, 0.166589 hours remaining, 238.472656 MB of memory in use. ENERGY: 4812600 3996.5265 20583.0184 14455.5303 245.7642 -203517.0850 2272.1880 0.0000 0.0000 52023.4574 -109940.6002 298.9795 -161964.0575 -109577.4410 298.9412 -155.4201 -122.1765 760029.1432 -0.5760 -0.4677 PRESSURE: 4812800 263.202 -21.3927 28.4446 -21.3923 -373.054 68.1007 28.4447 68.1024 58.8778 GPRESSURE: 4812800 170.102 -1.83929 20.4046 -0.695707 -165.935 88.9486 20.7771 127.225 44.0013 PRESSAVG: 4812800 16.8952 -19.51 -0.455024 -19.51 -12.1872 62.2404 -0.455049 62.2404 -5.58311 GPRESSAVG: 4812800 14.3387 -19.8522 -0.321331 -18.8231 -10.1855 62.1793 -2.69943 61.5036 -4.94743 TIMING: 4812800 CPU: 15296.4, 0.00320018/step Wall: 15296.4, 0.00320018/step, 0.166409 hours remaining, 238.472656 MB of memory in use. ENERGY: 4812800 3963.9724 20449.4425 14428.2775 253.8924 -203906.8297 2567.4727 0.0000 0.0000 51966.7124 -110277.0598 298.6534 -162243.7722 -109909.6843 298.4318 -16.9914 16.0559 759858.8361 -0.2917 -0.2647 PRESSURE: 4813000 -198.216 -54.292 198.524 -54.2916 -43.6531 -160.995 198.524 -160.995 172.27 GPRESSURE: 4813000 -192.942 -8.53832 128.462 -111.38 14.6063 -148.913 290.503 -128.891 193.289 PRESSAVG: 4813000 -15.6162 -8.70147 -7.85075 -8.7015 57.0368 -4.09625 -7.85073 -4.09618 4.32461 GPRESSAVG: 4813000 -13.9735 -9.50418 -8.52317 -6.81155 55.6314 -5.24234 -6.75339 -4.67113 3.86544 TIMING: 4813000 CPU: 15297.1, 0.00319497/step Wall: 15297.1, 0.00319497/step, 0.165961 hours remaining, 238.472656 MB of memory in use. ENERGY: 4813000 3983.2126 20458.8105 14430.2172 254.7390 -203660.0302 2376.3748 0.0000 0.0000 51701.6869 -110454.9892 297.1303 -162156.6761 -110098.9613 298.0960 -23.1999 4.9846 759222.5313 15.2484 15.1745 PRESSURE: 4813200 93.0774 70.1111 -4.97251 70.1105 304.35 -41.6989 -4.9735 -41.6985 -117.188 GPRESSURE: 4813200 136.047 114.861 -122.365 90.7766 247.541 -4.85381 -18.5707 1.15117 -20.1864 PRESSAVG: 4813200 -25.2667 -20.709 10.1912 -20.709 3.33043 -34.0184 10.1912 -34.0185 15.5207 GPRESSAVG: 4813200 -24.8788 -20.9106 8.90177 -22.4035 2.26002 -32.2664 9.13454 -34.3986 16.4467 TIMING: 4813200 CPU: 15297.7, 0.00319726/step Wall: 15297.7, 0.00319726/step, 0.165902 hours remaining, 238.472656 MB of memory in use. ENERGY: 4813200 3958.7579 20413.3200 14446.5264 265.1083 -204141.4146 2774.8759 0.0000 0.0000 51863.0180 -110419.8081 298.0575 -162282.8261 -110060.6952 297.8211 93.4131 121.1339 757987.8570 -2.1385 -2.0574 PRESSURE: 4813400 143.477 83.2049 96.3694 83.2051 182.04 -29.6346 96.3689 -29.6346 -336.654 GPRESSURE: 4813400 210.982 -41.2588 116.502 27.2964 156.468 9.21941 104.197 54.5313 -317.753 PRESSAVG: 4813400 -23.3883 -80.2675 9.07485 -80.2675 24.4078 -10.1182 9.07483 -10.1181 -12.42 GPRESSAVG: 4813400 -23.7699 -79.5497 8.95656 -79.4475 23.8872 -9.76119 10.1804 -7.15686 -11.3891 TIMING: 4813400 CPU: 15298.3, 0.00319659/step Wall: 15298.3, 0.00319659/step, 0.16569 hours remaining, 238.472656 MB of memory in use. ENERGY: 4813400 4018.3505 20654.3601 14369.3975 233.1957 -203663.5359 2624.2246 0.0000 0.0000 51922.2792 -109841.7283 298.3981 -161764.0075 -109494.8387 298.2142 -3.7124 16.5655 757846.9574 -3.8002 -3.7572 PRESSURE: 4813600 -362.448 -123.342 -64.177 -123.342 -240.375 125.266 -64.1782 125.267 -519.667 GPRESSURE: 4813600 -308.446 -98.3418 -147.392 -71.5969 -275.312 92.7578 -75.8529 159.187 -447.628 PRESSAVG: 4813600 29.4745 -43.079 -20.3974 -43.0789 -15.2272 51.4047 -20.3973 51.4047 14.9805 GPRESSAVG: 4813600 31.9103 -43.3178 -18.8342 -43.4906 -15.2711 49.8931 -21.4336 49.2383 13.3838 TIMING: 4813600 CPU: 15299, 0.00319483/step Wall: 15299, 0.00319483/step, 0.165421 hours remaining, 238.472656 MB of memory in use. ENERGY: 4813600 4100.4104 20437.9975 14432.1292 239.3550 -203014.5764 2308.0595 0.0000 0.0000 51759.9748 -109736.6500 297.4653 -161496.6248 -109364.3462 298.6743 -374.1635 -343.7951 760376.6508 9.7426 10.0077 PRESSURE: 4813800 4.84759 -309.547 -28.1301 -309.548 -34.9184 342.398 -28.1295 342.399 84.6242 GPRESSURE: 4813800 -93.7622 -412.854 -79.9227 -150.24 96.2729 261.947 -73.8579 299.532 136.39 PRESSAVG: 4813800 44.24 -72.7642 -24.2953 -72.7643 -5.66822 29.7765 -24.2953 29.7765 10.7902 GPRESSAVG: 4813800 41.5969 -72.2997 -24.6463 -70.6516 -4.77512 30.3311 -24.8429 28.5948 12.2398 TIMING: 4813800 CPU: 15299.6, 0.00320389/step Wall: 15299.6, 0.00320389/step, 0.165712 hours remaining, 238.472656 MB of memory in use. ENERGY: 4813800 3927.6333 20436.1399 14420.7006 237.4225 -203234.5848 2452.1819 0.0000 0.0000 51795.6260 -109964.8806 297.6702 -161760.5066 -109596.5451 298.4114 18.1845 46.3002 760013.7317 16.4540 16.3539 PRESSURE: 4814000 -195.343 147.731 -109.285 147.732 111.789 155.052 -109.285 155.052 -306.836 GPRESSURE: 4814000 -91.7723 160.065 -54.1367 169.323 108.797 81.9873 -94.6614 193.639 -322.353 PRESSAVG: 4814000 -24.2606 -68.8602 -48.4367 -68.8601 5.86282 -7.61936 -48.4368 -7.61935 7.2578 GPRESSAVG: 4814000 -24.4952 -71.0611 -48.172 -67.4745 6.25343 -6.63776 -47.1949 -6.85476 6.96952 TIMING: 4814000 CPU: 15300.3, 0.00321065/step Wall: 15300.3, 0.00321064/step, 0.165883 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4814000 3999.9213 20387.7485 14501.5027 247.1626 -203579.2608 2558.6720 0.0000 0.0000 51937.1168 -109947.1369 298.4833 -161884.2537 -109582.7572 297.7913 -130.1298 -101.7760 760317.9629 -3.7133 -3.7574 PRESSURE: 4814200 -662.316 -30.4254 333.139 -30.425 -502.083 141.149 333.138 141.149 -427.409 GPRESSURE: 4814200 -618.778 -87.664 434.167 -126.537 -462.586 187.822 274.478 159.002 -418.819 PRESSAVG: 4814200 -47.1873 -43.6815 8.96049 -43.6815 85.0595 25.4248 8.96051 25.4248 -6.13749 GPRESSAVG: 4814200 -45.9185 -41.3488 9.29803 -46.0585 84.4158 24.3668 6.62391 27.1033 -6.51434 TIMING: 4814200 CPU: 15300.9, 0.00320986/step Wall: 15300.9, 0.00320986/step, 0.165664 hours remaining, 238.472656 MB of memory in use. ENERGY: 4814200 3966.8081 20770.3891 14463.1500 238.3536 -203125.3512 2212.6181 0.0000 0.0000 51480.3037 -109993.7286 295.8580 -161474.0323 -109635.1510 297.8781 -530.6027 -500.0610 761205.5825 10.5782 10.6610 PRESSURE: 4814400 -305.225 -51.9929 248.557 -51.9925 -154.604 51.649 248.557 51.6488 44.3025 GPRESSURE: 4814400 -237.684 -69.168 125.766 -132.71 -98.4906 29.4864 239.963 40.3278 22.0604 PRESSAVG: 4814400 30.7918 -68.6094 2.77267 -68.6094 14.2977 -0.0310165 2.77258 -0.0310481 -5.14297 GPRESSAVG: 4814400 29.5956 -68.5122 2.54238 -69.0359 15.485 -0.20308 4.64163 -1.93794 -5.25831 TIMING: 4814400 CPU: 15301.5, 0.00321643/step Wall: 15301.5, 0.00321643/step, 0.165825 hours remaining, 238.472656 MB of memory in use. ENERGY: 4814400 4017.3171 20475.0393 14444.7065 222.8056 -203437.6184 2447.1954 0.0000 0.0000 51852.1452 -109978.4093 297.9950 -161830.5545 -109617.9714 298.1718 -138.5091 -104.7049 762658.8067 13.3155 13.2741 PRESSURE: 4814600 292.708 3.10827 248.993 3.10792 -53.3539 76.7945 248.993 76.7945 -95.0572 GPRESSURE: 4814600 261.356 -13.9502 306.49 -30.3885 11.1236 61.5498 154.574 99.2996 -58.9819 PRESSAVG: 4814600 41.0038 -46.7516 47.0746 -46.7516 -41.9242 -44.7985 47.0746 -44.7985 6.85259 GPRESSAVG: 4814600 41.7702 -46.1425 48.2025 -48.1411 -42.1507 -46.0728 47.4385 -45.2594 6.26147 TIMING: 4814600 CPU: 15302.2, 0.00322897/step Wall: 15302.2, 0.00322897/step, 0.166292 hours remaining, 238.472656 MB of memory in use. ENERGY: 4814600 3955.6171 20495.5354 14401.8672 229.0335 -203868.7776 2776.5820 0.0000 0.0000 52119.8003 -109890.3419 299.5332 -162010.1422 -109524.7716 298.4971 48.0988 71.1658 760611.3286 1.9774 1.9603 PRESSURE: 4814800 45.6703 -193.901 -55.4403 -193.9 43.8104 -215.212 -55.4406 -215.212 216.481 GPRESSURE: 4814800 12.2029 -244.753 -118.698 -136.913 116.166 -183.686 -99.1235 -159.646 270.874 PRESSAVG: 4814800 41.0546 -89.453 44.3909 -89.453 -2.9477 23.0651 44.3909 23.0651 1.11491 GPRESSAVG: 4814800 41.8694 -88.9628 44.0786 -88.3803 -4.35375 23.2875 42.3206 24.675 2.02926 TIMING: 4814800 CPU: 15302.8, 0.00318566/step Wall: 15302.8, 0.00318566/step, 0.163884 hours remaining, 238.472656 MB of memory in use. ENERGY: 4814800 3932.9694 20772.5583 14389.4950 240.5532 -203503.8130 2450.0556 0.0000 0.0000 52027.8925 -109690.2892 299.0050 -161718.1817 -109334.2139 298.4775 101.9873 133.0809 758850.7073 13.0739 13.1816 PRESSURE: 4815000 -83.9973 -15.968 191.165 -15.9678 -73.8187 -39.7456 191.164 -39.7461 -129.224 GPRESSURE: 4815000 -40.4447 -30.6055 179.812 -124.83 -33.3187 8.08762 169.366 55.323 -124.084 PRESSAVG: 4815000 26.9524 -36.2881 -5.3421 -36.2881 -2.77136 8.05323 -5.34205 8.05327 -7.94669 GPRESSAVG: 4815000 25.1503 -37.2145 -5.50849 -34.6841 -1.36612 8.98265 -4.31257 7.5185 -8.03756 TIMING: 4815000 CPU: 15303.5, 0.0032142/step Wall: 15303.5, 0.0032142/step, 0.165174 hours remaining, 238.472656 MB of memory in use. ENERGY: 4815000 3933.8970 20526.4397 14408.7652 249.3277 -202966.2063 2029.6228 0.0000 0.0000 52076.3118 -109741.8420 299.2833 -161818.1537 -109377.9726 299.0877 -95.6799 -65.9492 758460.8872 5.4114 5.2489 PRESSURE: 4815200 -124.569 -54.4351 -83.558 -54.435 37.1563 48.2166 -83.5586 48.2161 195.805 GPRESSURE: 4815200 -89.1637 -50.4611 -125.115 -47.0269 93.0947 126.486 39.8484 148.74 178.322 PRESSAVG: 4815200 11.4429 -94.824 -2.1272 -94.8241 23.9018 -5.01224 -2.12721 -5.01217 -1.79277 GPRESSAVG: 4815200 11.8533 -94.4808 -1.00369 -96.6086 23.1986 -5.73685 -1.80728 -5.70015 -1.11443 TIMING: 4815200 CPU: 15304.1, 0.00320148/step Wall: 15304.1, 0.00320148/step, 0.164343 hours remaining, 238.472656 MB of memory in use. ENERGY: 4815200 4039.7022 20504.9828 14407.4846 234.2599 -203168.8860 2462.0805 0.0000 0.0000 51887.6802 -109632.6959 298.1992 -161520.3760 -109275.5903 298.9389 36.1307 60.7510 759243.8351 11.1840 11.3125 PRESSURE: 4815400 -282.022 -53.7449 -10.3312 -53.7447 101.924 -43.5725 -10.3316 -43.5716 -391.136 GPRESSURE: 4815400 -287.439 -29.6096 50.5381 -114.63 211.628 -61.302 72.1585 140.826 -419.42 PRESSAVG: 4815400 -10.5475 -38.0078 16.9273 -38.0079 -3.05475 -2.02516 16.9273 -2.02519 -0.497236 GPRESSAVG: 4815400 -11.1213 -41.3847 15.8579 -34.9647 -2.45173 -2.04293 15.8569 -0.886693 -0.943271 TIMING: 4815400 CPU: 15304.7, 0.00319809/step Wall: 15304.7, 0.00319809/step, 0.163991 hours remaining, 238.472656 MB of memory in use. ENERGY: 4815400 3965.5099 20543.6812 14411.5514 244.7303 -203421.5743 2495.1677 0.0000 0.0000 52107.3670 -109653.5669 299.4618 -161760.9339 -109288.5824 298.9392 -190.4112 -165.0772 759085.3718 -4.6998 -4.8388 PRESSURE: 4815600 -81.5763 -77.4795 -170.088 -77.4799 40.1761 -84.2165 -170.087 -84.2169 -23.7331 GPRESSURE: 4815600 -46.985 -16.049 -238.441 -187.254 57.3775 -54.8201 -149.834 -34.5417 11.0008 PRESSAVG: 4815600 -25.6833 23.3368 39.7172 23.3367 12.7115 1.9539 39.7172 1.95396 4.92166 GPRESSAVG: 4815600 -26.2152 27.9465 38.8035 19.7454 11.9805 2.30932 42.1382 3.31243 6.77695 TIMING: 4815600 CPU: 15305.4, 0.00318132/step Wall: 15305.4, 0.00318132/step, 0.162955 hours remaining, 238.472656 MB of memory in use. ENERGY: 4815600 4031.6014 20505.6425 14412.0815 259.4205 -203457.4317 2681.0684 0.0000 0.0000 51820.8175 -109746.7998 297.8150 -161567.6174 -109383.4885 299.0061 -21.7111 7.1311 759818.0438 -2.6834 -2.4859 PRESSURE: 4815800 -226.542 -118.505 189.819 -118.505 -10.8966 88.4864 189.819 88.4867 -207.554 GPRESSURE: 4815800 -192.962 -92.1188 69.0125 7.98643 -5.72412 118.766 131.624 38.5688 -169.048 PRESSAVG: 4815800 -6.30048 -65.7074 -3.38161 -65.7075 33.405 41.6129 -3.38159 41.6129 15.4911 GPRESSAVG: 4815800 -5.13745 -67.6771 -3.9893 -63.1833 33.4575 42.9081 -6.09724 38.0309 13.8085 TIMING: 4815800 CPU: 15306, 0.00316612/step Wall: 15306, 0.00316612/step, 0.162 hours remaining, 238.472656 MB of memory in use. ENERGY: 4815800 4026.9538 20491.8968 14447.4116 251.7985 -203483.7769 2593.3067 0.0000 0.0000 52020.4884 -109651.9213 298.9625 -161672.4096 -109291.0067 299.0258 -148.3309 -122.5781 758440.8226 14.1985 14.0428 PRESSURE: 4816000 -190.795 -4.04611 -125.153 -4.04504 -196.19 -201.721 -125.153 -201.72 -96.9031 GPRESSURE: 4816000 -178.428 -53.1717 -84.2313 47.8809 -133.436 -92.2746 -4.68759 -137.081 -91.1332 PRESSAVG: 4816000 18.7579 -8.4173 -15.3988 -8.41727 -24.9224 -29.5554 -15.3988 -29.5553 -4.58042 GPRESSAVG: 4816000 17.9036 -8.04745 -14.7348 -10.017 -24.7115 -29.2455 -12.6986 -28.8437 -4.1209 TIMING: 4816000 CPU: 15306.6, 0.00316872/step Wall: 15306.6, 0.00316872/step, 0.161957 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4816000 4056.3507 20346.9197 14441.9365 254.0423 -203374.6195 2597.9954 0.0000 0.0000 52283.0844 -109394.2905 300.4716 -161677.3749 -109025.8953 299.3590 -161.2960 -134.3324 759207.5666 -3.5816 -3.6429 PRESSURE: 4816200 -81.1804 -350.842 115.929 -350.841 104.883 49.5852 115.928 49.5851 309.698 GPRESSURE: 4816200 -100.011 -301.084 92.0288 -337.498 180.922 128.824 12.8907 -39.6178 338.922 PRESSAVG: 4816200 -23.2746 -48.6906 34.2444 -48.6906 21.7575 14.5018 34.2444 14.5018 -5.06873 GPRESSAVG: 4816200 -22.8044 -48.3052 34.8185 -47.0896 21.8083 13.2338 30.9211 14.5078 -5.51629 TIMING: 4816200 CPU: 15307.3, 0.0031751/step Wall: 15307.3, 0.0031751/step, 0.162106 hours remaining, 238.472656 MB of memory in use. ENERGY: 4816200 3931.6322 20572.3181 14469.2272 258.4289 -203067.3980 2380.8261 0.0000 0.0000 51851.1677 -109603.7978 297.9894 -161454.9655 -109259.3057 298.5627 111.1336 139.9444 760741.7951 -2.1953 -2.1708 LDB: ============= START OF LOAD BALANCING ============== 15319.7 LDB: ============== END OF LOAD BALANCING =============== 15319.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15319.7 LDB: ============= START OF LOAD BALANCING ============== 15320 LDB: Largest compute 7047 load 0.034824 is 17.8% of average load 0.196067 LDB: Average compute 0.004395 is 2.2% of average load 0.196067 LDB: TIME 15320 LOAD: AVG 0.196067 MAX 0.217418 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.875 MB LDB: TIME 15320 LOAD: AVG 0.196067 MAX 0.217418 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: TIME 15320 LOAD: AVG 0.196067 MAX 0.217418 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: ============== END OF LOAD BALANCING =============== 15320 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15320 PRESSURE: 4816400 -318.267 -57.4254 -100.191 -57.4252 -57.554 112.611 -100.191 112.612 -156.572 GPRESSURE: 4816400 -139.129 51.3954 10.9977 -5.507 -65.1508 111.873 -27.2898 150.824 -252.752 PRESSAVG: 4816400 57.446 -67.2224 26.9758 -67.2224 13.6026 3.95295 26.9758 3.95292 40.9523 GPRESSAVG: 4816400 57.5046 -67.0059 25.4949 -69.9977 13.7277 5.43748 27.38 4.58843 40.6591 TIMING: 4816400 CPU: 15307.9, 0.00328328/step Wall: 15307.9, 0.00328328/step, 0.167447 hours remaining, 237.843750 MB of memory in use. ENERGY: 4816400 3982.9993 20403.7471 14410.3049 246.4641 -202478.8674 1967.4787 0.0000 0.0000 51684.8529 -109783.0204 297.0336 -161467.8733 -109425.7048 298.8079 -177.4642 -152.3441 760332.8548 37.3336 37.2972 PRESSURE: 4816600 146.684 -80.6195 -71.3155 -80.6199 -335.358 246.131 -71.3158 246.13 151.182 GPRESSURE: 4816600 178.443 -41.3794 -61.8401 -188.283 -340.223 220.395 18.3591 218.484 207.209 PRESSAVG: 4816600 -19.9124 -57.0086 -30.8886 -57.0086 24.2856 -25.5028 -30.8886 -25.5029 13.5034 GPRESSAVG: 4816600 -21.2607 -57.3129 -31.408 -54.9082 24.3077 -25.9175 -29.6009 -27.074 14.8692 TIMING: 4816600 CPU: 15308.6, 0.00321088/step Wall: 15308.6, 0.00321088/step, 0.163577 hours remaining, 237.843750 MB of memory in use. ENERGY: 4816600 4040.2206 20361.8377 14356.2554 248.4531 -203391.8082 2664.4063 0.0000 0.0000 52004.8061 -109715.8290 298.8723 -161720.6351 -109367.5610 298.5276 -12.4976 15.1428 760723.9052 5.9589 5.9721 PRESSURE: 4816800 -379.665 -8.64817 240.018 -8.64877 -506.334 -23.3593 240.018 -23.3601 -45.0978 GPRESSURE: 4816800 -273.908 -89.8702 273.848 99.7524 -486.895 23.8279 68.9153 29.0875 -102.046 PRESSAVG: 4816800 -77.5408 -72.102 -12.7833 -72.1021 -4.74917 14.4543 -12.7833 14.4543 -20.6219 GPRESSAVG: 4816800 -76.6408 -72.4864 -11.6917 -73.9438 -5.25254 13.0647 -13.0781 14.9127 -21.0741 TIMING: 4816800 CPU: 15309.2, 0.00318245/step Wall: 15309.2, 0.00318245/step, 0.161952 hours remaining, 237.843750 MB of memory in use. ENERGY: 4816800 3899.6864 20380.2662 14487.1747 232.7581 -203079.3455 2325.5844 0.0000 0.0000 51949.3606 -109804.5149 298.5537 -161753.8756 -109441.0746 298.5422 -310.3655 -287.6164 760736.1508 -34.3039 -34.3225 PRESSURE: 4817000 214.005 -92.398 41.1729 -92.3992 118.731 -235.111 41.173 -235.112 54.5396 GPRESSURE: 4817000 222.541 19.7267 65.1348 -50.5588 247.05 -346.597 4.92741 -223.991 14.3596 PRESSAVG: 4817000 56.5335 -30.8235 -0.668021 -30.8235 0.808871 -6.7471 -0.66807 -6.74704 2.64164 GPRESSAVG: 4817000 56.3482 -30.3373 -0.852875 -29.2115 2.52899 -6.41707 -0.471538 -6.11469 1.36028 TIMING: 4817000 CPU: 15309.9, 0.0031938/step Wall: 15309.9, 0.0031938/step, 0.162351 hours remaining, 237.843750 MB of memory in use. ENERGY: 4817000 3974.8286 20311.4092 14478.1432 242.0236 -203398.7403 2472.6881 0.0000 0.0000 52017.2737 -109902.3739 298.9440 -161919.6477 -109535.3574 298.5302 129.0915 161.3169 757484.5942 19.9947 20.0792 PRESSURE: 4817200 123.062 -160.228 255.875 -160.228 -168.547 42.2652 255.875 42.2668 167.537 GPRESSURE: 4817200 149.295 -298.643 292.254 -88.7754 -164.608 27.3436 252.78 58.3758 219.883 PRESSAVG: 4817200 -37.5226 -80.8188 -6.23597 -80.8188 24.7789 11.6167 -6.23601 11.6167 -12.3564 GPRESSAVG: 4817200 -38.2629 -81.5312 -6.20915 -80.5413 24.8665 12.8197 -5.51565 11.291 -11.578 TIMING: 4817200 CPU: 15310.5, 0.00322496/step Wall: 15310.5, 0.00322496/step, 0.163756 hours remaining, 237.843750 MB of memory in use. ENERGY: 4817200 4091.4142 20361.6142 14454.4061 239.4331 -203232.4179 2501.4475 0.0000 0.0000 51944.2060 -109639.8969 298.5241 -161584.1029 -109269.0070 299.1213 40.6839 68.1900 758788.6568 -8.3667 -8.3248 PRESSURE: 4817400 253.434 135.675 1.63074 135.676 79.7048 -140.318 1.63116 -140.318 305.287 GPRESSURE: 4817400 275.044 117.568 -39.3066 23.9142 153.347 -111.437 -70.7151 -101.608 305.166 PRESSAVG: 4817400 -7.95883 5.04841 43.1575 5.04836 44.7029 -11.8933 43.1574 -11.8934 -4.35473 GPRESSAVG: 4817400 -6.99685 6.29116 41.6779 4.59916 43.3975 -12.7309 43.1544 -10.927 -4.05543 TIMING: 4817400 CPU: 15311.1, 0.00316698/step Wall: 15311.1, 0.00316698/step, 0.160636 hours remaining, 237.843750 MB of memory in use. ENERGY: 4817400 3927.5506 20402.4828 14293.8961 234.3881 -203829.8734 2928.5944 0.0000 0.0000 52071.2566 -109971.7049 299.2542 -162042.9615 -109602.8120 298.6985 212.8084 244.5190 758939.7751 10.7965 10.7817 PRESSURE: 4817600 -50.1352 -276.018 26.1521 -276.018 358.138 -105.48 26.1517 -105.481 -189.533 GPRESSURE: 4817600 -3.87953 -168.225 49.6501 -212.983 372.398 -47.2076 -24.4878 -36.7646 -167.286 PRESSAVG: 4817600 -22.5769 -27.8588 24.9149 -27.8588 31.3215 35.2873 24.9148 35.2873 3.80012 GPRESSAVG: 4817600 -22.4599 -27.0948 26.4805 -30.3305 31.6588 34.2989 24.9201 36.9266 3.68003 TIMING: 4817600 CPU: 15311.8, 0.00316548/step Wall: 15311.8, 0.00316548/step, 0.160384 hours remaining, 237.843750 MB of memory in use. ENERGY: 4817600 3950.7667 20386.3250 14457.8790 284.1767 -203332.2625 2639.0269 0.0000 0.0000 51915.1189 -109698.9692 298.3569 -161614.0882 -109336.5191 298.6209 39.4900 67.0774 760160.4525 4.1816 4.2930 PRESSURE: 4817800 -202.136 -299.043 42.6133 -299.044 -22.969 -44.132 42.6131 -44.1338 -538.924 GPRESSURE: 4817800 -252.841 -323.589 51.0324 -102.946 107.948 -31.4593 -33.7881 -2.49434 -537.877 PRESSAVG: 4817800 -20.314 -63.3756 -9.89719 -63.3757 -10.6948 44.0575 -9.89729 44.0575 14.9786 GPRESSAVG: 4817800 -21.7619 -65.6911 -8.795 -62.1149 -9.55724 45.2239 -12.0553 43.3898 14.886 TIMING: 4817800 CPU: 15312.4, 0.00317338/step Wall: 15312.4, 0.00317338/step, 0.160608 hours remaining, 237.843750 MB of memory in use. ENERGY: 4817800 4006.8562 20388.8094 14446.8482 242.5070 -203147.6507 2319.0748 0.0000 0.0000 52149.9706 -109593.5845 299.7066 -161743.5551 -109225.4427 298.7726 -254.6761 -227.5898 760534.3452 -5.3434 -5.4777 PRESSURE: 4818000 201.155 25.3831 36.0165 25.3836 389.202 58.3304 36.0178 58.3301 52.2785 GPRESSURE: 4818000 322.864 13.777 125.139 21.2145 365.587 58.6281 -75.304 8.44998 40.8949 PRESSAVG: 4818000 -32.5068 -12.1183 39.1205 -12.1183 11.0715 -38.5407 39.1205 -38.5407 -3.43165 GPRESSAVG: 4818000 -32.1688 -10.1532 37.7386 -12.9675 10.075 -37.3683 38.5455 -38.9636 -3.54789 TIMING: 4818000 CPU: 15313, 0.00316743/step Wall: 15313, 0.00316743/step, 0.160131 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4818000 4016.3099 20524.7964 14381.0424 274.8552 -203396.5760 2837.8899 0.0000 0.0000 51819.0704 -109542.6118 297.8049 -161361.6822 -109192.9921 299.1390 214.2119 243.1153 759683.5548 -8.2890 -8.5472 PRESSURE: 4818200 307.294 9.69448 -14.8194 9.69405 20.8733 8.14778 -14.8197 8.14846 133.563 GPRESSURE: 4818200 350.159 73.3477 60.0288 -44.0021 147.46 -58.5017 -20.7161 21.558 46.4413 PRESSAVG: 4818200 -20.0815 7.67206 20.07 7.67204 -37.0566 -31.2969 20.0701 -31.2969 -10.5769 GPRESSAVG: 4818200 -17.7065 5.08496 19.4395 8.67166 -37.4892 -31.0857 23.2729 -31.0612 -11.9366 TIMING: 4818200 CPU: 15313.7, 0.00318596/step Wall: 15313.7, 0.00318596/step, 0.160891 hours remaining, 237.843750 MB of memory in use. ENERGY: 4818200 4009.2914 20588.1108 14419.4017 252.6937 -203211.1352 2613.7182 0.0000 0.0000 52029.9649 -109297.9544 299.0169 -161327.9193 -108943.8553 300.0325 153.9101 181.3533 760574.6635 -22.5717 -22.3774 PRESSURE: 4818400 -26.7792 -102.457 -76.4108 -102.457 -39.6627 -107.951 -76.4105 -107.949 40.1433 GPRESSURE: 4818400 38.8955 71.073 -59.3441 -183.39 -0.453791 -21.6194 -126.173 -200.496 37.0508 PRESSAVG: 4818400 -15.6946 -65.347 43.1067 -65.347 23.7644 37.8106 43.1066 37.8106 13.5748 GPRESSAVG: 4818400 -16.6493 -64.7646 44.2719 -64.8517 23.4423 35.8282 42.0993 36.6014 14.7411 TIMING: 4818400 CPU: 15314.3, 0.00318374/step Wall: 15314.3, 0.00318374/step, 0.160602 hours remaining, 237.843750 MB of memory in use. ENERGY: 4818400 3908.0345 20496.1988 14429.1527 271.4156 -202949.3143 2368.5329 0.0000 0.0000 52200.3870 -109275.5928 299.9963 -161475.9799 -108907.1974 299.5679 -8.7662 25.1642 760508.2275 7.2149 7.1780 PRESSURE: 4818600 217.423 -109.5 -136.253 -109.5 163.106 -71.7686 -136.254 -71.7695 -14.4782 GPRESSURE: 4818600 312.614 -46.3792 -17.8159 -136.642 112.327 -17.8257 -31.9578 -120.57 -14.8559 PRESSAVG: 4818600 28.1972 -93.1507 -11.1375 -93.1508 -3.1442 -16.2178 -11.1375 -16.2178 -7.36703 GPRESSAVG: 4818600 29.2547 -93.8282 -11.4832 -92.8437 -3.18007 -15.844 -12.1708 -16.0458 -8.13984 TIMING: 4818600 CPU: 15314.9, 0.00318717/step Wall: 15314.9, 0.00318717/step, 0.160598 hours remaining, 237.843750 MB of memory in use. ENERGY: 4818600 4031.5898 20439.9718 14477.2310 254.4999 -202926.2976 2438.7749 0.0000 0.0000 52243.8085 -109040.4217 300.2459 -161284.2303 -108679.4460 299.9867 122.0171 136.6949 761314.6217 5.8953 5.9783 PRESSURE: 4818800 -193.213 105.275 175.213 105.275 -169.225 -124.765 175.213 -124.765 248.573 GPRESSURE: 4818800 -197.65 102.911 156.657 81.2723 -159.734 -96.9013 119.8 24.5266 305.67 PRESSAVG: 4818800 -12.7254 0.100421 27.2933 0.100428 13.3403 -10.164 27.2934 -10.1639 0.436443 GPRESSAVG: 4818800 -12.8826 1.14589 25.9884 -2.1629 12.9324 -9.33662 28.3544 -8.3134 0.504 TIMING: 4818800 CPU: 15315.6, 0.00318659/step Wall: 15315.6, 0.00318659/step, 0.160392 hours remaining, 237.843750 MB of memory in use. ENERGY: 4818800 4037.5084 20468.5997 14490.1898 229.1128 -202867.8195 2383.1949 0.0000 0.0000 52340.0268 -108919.1871 300.7989 -161259.2139 -108562.2961 300.4448 -37.9550 -17.2378 760008.9527 0.3505 0.1846 PRESSURE: 4819000 -492.208 23.6624 188.852 23.6618 -64.2708 -43.6146 188.852 -43.6151 -462.192 GPRESSURE: 4819000 -350.98 100.798 174.094 20.0351 -41.633 -27.5278 129.49 -165.328 -531.225 PRESSAVG: 4819000 -27.753 -33.9997 -15.6021 -33.9997 18.2982 7.95054 -15.6021 7.95053 5.89815 GPRESSAVG: 4819000 -28.1039 -35.1582 -15.4843 -32.7447 18.6636 6.97697 -13.7734 7.54922 5.96919 TIMING: 4819000 CPU: 15316.2, 0.0031583/step Wall: 15316.2, 0.0031583/step, 0.158792 hours remaining, 237.843750 MB of memory in use. ENERGY: 4819000 4037.6969 20443.6851 14506.9247 260.4111 -202666.8104 2164.1043 0.0000 0.0000 52086.1119 -109167.8764 299.3396 -161253.9883 -108815.5780 300.2365 -339.5570 -307.9461 760050.1193 -1.1855 -1.1570 PRESSURE: 4819200 -57.9451 -52.033 9.62816 -52.0331 96.0138 20.7132 9.62838 20.7122 -6.85485 GPRESSURE: 4819200 21.7919 -13.7271 -14.3558 -17.0108 77.547 64.8728 -12.9192 -17.4778 21.3315 PRESSAVG: 4819200 -22.8011 -43.464 -59.3684 -43.4641 -14.3301 -48.1953 -59.3684 -48.1953 19.9118 GPRESSAVG: 4819200 -23.246 -43.1363 -58.0184 -42.1471 -14.9351 -47.578 -60.948 -50.1327 21.4411 TIMING: 4819200 CPU: 15316.9, 0.00320381/step Wall: 15316.9, 0.00320381/step, 0.160902 hours remaining, 237.843750 MB of memory in use. ENERGY: 4819200 3942.9490 20337.6447 14549.2927 240.8132 -203414.1578 2535.3047 0.0000 0.0000 52546.5006 -109261.6530 301.9855 -161808.1536 -108888.8150 299.7976 10.4046 40.2235 758373.3009 -5.7398 -5.5800 PRESSURE: 4819400 72.5291 -143.039 -146.907 -143.04 -138.275 -103.52 -146.908 -103.519 282.844 GPRESSURE: 4819400 89.1789 -96.6551 -153.068 -144.028 -76.8351 -130.428 -140.965 -2.89821 294.994 PRESSAVG: 4819400 33.5182 -10.373 -58.1763 -10.373 -1.69727 26.3139 -58.1762 26.314 4.13885 GPRESSAVG: 4819400 32.1478 -10.8514 -58.0509 -13.7124 -0.185499 26.8197 -59.2636 26.627 4.27201 TIMING: 4819400 CPU: 15317.5, 0.00317898/step Wall: 15317.5, 0.00317898/step, 0.159479 hours remaining, 237.843750 MB of memory in use. ENERGY: 4819400 4001.3809 20670.5879 14385.6954 236.2891 -202993.4849 2546.8365 0.0000 0.0000 51971.6120 -109181.0831 298.6816 -161152.6951 -108822.9289 299.9301 72.3659 102.4459 760860.2208 11.9866 12.0781 PRESSURE: 4819600 -38.945 -207.075 136.715 -207.075 -13.7818 -17.7687 136.715 -17.7685 171.173 GPRESSURE: 4819600 67.1855 -151.514 104.793 -163.178 -17.9251 2.22308 113.927 -42.3617 141.225 PRESSAVG: 4819600 23.409 -12.2819 -58.4963 -12.2819 -65.8099 -1.72757 -58.4963 -1.72756 10.9998 GPRESSAVG: 4819600 25.5006 -10.7169 -60.9847 -8.55555 -66.7295 -1.41898 -57.6398 -2.98899 10.6382 TIMING: 4819600 CPU: 15318.1, 0.0031867/step Wall: 15318.1, 0.0031867/step, 0.159689 hours remaining, 237.843750 MB of memory in use. ENERGY: 4819600 3965.2205 20417.7288 14482.5216 249.9951 -202956.2669 2652.6890 0.0000 0.0000 52209.0229 -108979.0891 300.0460 -161188.1120 -108607.4728 300.2433 39.4821 63.4953 760554.7977 -10.4670 -10.1969 PRESSURE: 4819800 -142.849 -115.092 8.20517 -115.092 36.8432 -171.381 8.20585 -171.381 152.513 GPRESSURE: 4819800 -12.7649 -156.526 0.748518 -162.723 20.9208 -96.8916 29.5205 -16.1064 122.72 PRESSAVG: 4819800 5.67928 -59.5248 -13.5035 -59.5248 36.4764 59.1169 -13.5035 59.117 40.7461 GPRESSAVG: 4819800 6.98936 -59.9172 -12.1194 -61.6676 36.0134 57.0427 -14.844 60.3258 39.8453 TIMING: 4819800 CPU: 15318.8, 0.0031847/step Wall: 15318.8, 0.0031847/step, 0.159412 hours remaining, 237.843750 MB of memory in use. ENERGY: 4819800 3922.3584 20382.1114 14446.5263 239.6997 -202599.6207 2440.5304 0.0000 0.0000 52377.4422 -108790.9523 301.0139 -161168.3945 -108424.8237 300.5581 15.5024 43.6253 761564.5487 27.6339 27.6160 PRESSURE: 4820000 152.182 -82.09 94.8789 -82.0903 72.7583 153.339 94.8778 153.34 -150.574 GPRESSURE: 4820000 33.1806 -108.675 116.009 14.4131 135.745 144.124 102.444 187.687 -11.8642 PRESSAVG: 4820000 -9.21575 -5.36373 -28.9875 -5.36372 -16.3845 53.0931 -28.9875 53.0932 2.04167 GPRESSAVG: 4820000 -10.5874 -5.0872 -29.307 -6.39883 -16.4837 54.482 -28.4032 53.4445 3.63885 TIMING: 4820000 CPU: 15319.4, 0.00318243/step Wall: 15319.4, 0.00318243/step, 0.159122 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4820000 3918.4541 20646.3117 14480.1866 227.1207 -202870.8937 2286.8242 0.0000 0.0000 52404.6758 -108907.3207 301.1704 -161311.9965 -108551.5142 300.8041 24.7887 52.3536 761196.7099 -7.8529 -7.8108 PRESSURE: 4820200 18.2337 -164.978 141.317 -164.978 -71.5577 -83.171 141.317 -83.1716 -150.851 GPRESSURE: 4820200 63.9528 -161.598 126.54 -245.024 -18.892 -104.388 42.4193 -208.201 -138.492 PRESSAVG: 4820200 33.2307 -40.5621 -15.2853 -40.5621 -19.5472 -26.9309 -15.2854 -26.9309 12.5599 GPRESSAVG: 4820200 32.631 -41.2992 -13.902 -38.8904 -18.767 -26.0363 -18.119 -27.391 12.2261 TIMING: 4820200 CPU: 15320, 0.00319863/step Wall: 15320, 0.00319863/step, 0.159754 hours remaining, 237.843750 MB of memory in use. ENERGY: 4820200 4070.3008 20585.2114 14453.5566 232.5383 -203179.0445 2632.4922 0.0000 0.0000 52465.1904 -108739.7547 301.5182 -161204.9452 -108387.2976 300.7360 -68.0585 -31.1437 760116.5264 8.7478 8.6967 LDB: ============= START OF LOAD BALANCING ============== 15332.4 LDB: ============== END OF LOAD BALANCING =============== 15332.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15332.4 LDB: ============= START OF LOAD BALANCING ============== 15332.8 LDB: Largest compute 7044 load 0.034565 is 17.6% of average load 0.195939 LDB: Average compute 0.004407 is 2.2% of average load 0.195939 LDB: TIME 15332.8 LOAD: AVG 0.195939 MAX 0.223111 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 15332.8 LOAD: AVG 0.195939 MAX 0.223111 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 15332.8 LOAD: AVG 0.195939 MAX 0.223111 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 15332.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15332.8 PRESSURE: 4820400 -78.5054 -112.045 -168.052 -112.045 -5.904 -76.6195 -168.053 -76.621 -312.762 GPRESSURE: 4820400 -26.7104 -103.828 -198.487 -98.3435 -70.4934 -136.741 -124.947 -54.0257 -208.35 PRESSAVG: 4820400 -14.2052 -118.917 11.1421 -118.917 9.52513 -21.2549 11.1422 -21.2549 -0.23448 GPRESSAVG: 4820400 -13.2025 -118.758 9.91975 -120.124 7.87735 -22.8468 14.0703 -20.8555 0.116473 TIMING: 4820400 CPU: 15320.7, 0.00326058/step Wall: 15320.7, 0.00326058/step, 0.162667 hours remaining, 238.613281 MB of memory in use. ENERGY: 4820400 3985.0213 20637.2627 14513.4139 236.6657 -202376.5495 2038.5701 0.0000 0.0000 51981.2453 -108984.3705 298.7369 -160965.6157 -108636.7726 300.3593 -132.3904 -101.8512 762406.3219 -1.6382 -1.7362 PRESSURE: 4820600 -102.171 -392.546 -70.2268 -392.546 -232.092 -9.03305 -70.2263 -9.03371 -293.029 GPRESSURE: 4820600 -63.6501 -457.653 -60.5431 -484.407 -76.3815 -20.8871 -203.28 -69.0494 -393.617 PRESSAVG: 4820600 -0.174953 -72.6583 -6.9023 -72.6583 -13.0829 10.8104 -6.90227 10.8104 -6.26808 GPRESSAVG: 4820600 -0.197903 -72.6605 -6.5948 -73.3569 -11.9359 12.3216 -8.20396 11.1432 -7.34943 TIMING: 4820600 CPU: 15321.3, 0.00318506/step Wall: 15321.3, 0.00318506/step, 0.158722 hours remaining, 238.613281 MB of memory in use. ENERGY: 4820600 3994.4711 20425.9123 14440.1722 244.9780 -202887.2835 2537.0091 0.0000 0.0000 52317.1623 -108927.5784 300.6675 -161244.7407 -108556.4198 300.4223 -209.0975 -177.8828 761683.6004 -6.5087 -6.4944 PRESSURE: 4820800 46.6082 13.3292 60.2909 13.33 190.3 -62.5899 60.2919 -62.5894 157.41 GPRESSURE: 4820800 14.3362 -53.112 55.4185 123.135 195.814 -16.6049 176.768 -61.5573 244.092 PRESSAVG: 4820800 32.4481 -122.309 14.0359 -122.309 -5.10367 56.2299 14.036 56.2298 28.1098 GPRESSAVG: 4820800 32.0498 -123.816 15.241 -122.547 -5.40505 56.4505 13.9916 56.106 28.8003 TIMING: 4820800 CPU: 15322, 0.00318839/step Wall: 15322, 0.00318839/step, 0.158711 hours remaining, 238.613281 MB of memory in use. ENERGY: 4820800 4038.4047 20654.1078 14486.2437 228.0457 -203439.8372 2931.7151 0.0000 0.0000 52276.2477 -108825.0724 300.4323 -161101.3202 -108463.7083 301.1407 131.4393 151.4141 760675.2579 18.4847 18.4817 PRESSURE: 4821000 -57.4352 -163.639 -176.321 -163.639 -107.916 -169.11 -176.323 -169.11 -162.864 GPRESSURE: 4821000 -34.4575 -90.328 -143.887 -153.826 -87.6514 -134.778 -201.923 -161.644 -121.388 PRESSAVG: 4821000 -57.8707 -89.4328 -38.5473 -89.4328 29.2531 -16.6872 -38.5474 -16.6872 13.1899 GPRESSAVG: 4821000 -58.0095 -87.4415 -39.7126 -87.9674 29.9122 -17.0846 -37.2226 -16.7963 12.8572 TIMING: 4821000 CPU: 15322.6, 0.00319258/step Wall: 15322.6, 0.00319258/step, 0.158742 hours remaining, 238.613281 MB of memory in use. ENERGY: 4821000 4022.5828 20583.7588 14512.4251 246.9457 -202925.5550 2490.0442 0.0000 0.0000 52235.5442 -108834.2543 300.1984 -161069.7985 -108463.0498 301.0856 -109.4052 -81.1658 760326.8531 -5.1426 -5.0800 PRESSURE: 4821200 183.449 -147.909 60.5353 -147.909 349.997 -203.328 60.5343 -203.326 68.2799 GPRESSURE: 4821200 141.252 -117.965 -4.27591 -159.478 521.994 -149.243 33.4514 -42.8556 -3.8237 PRESSAVG: 4821200 -8.7388 -88.558 -32.5795 -88.558 62.3307 -2.59351 -32.5796 -2.59348 -30.7816 GPRESSAVG: 4821200 -9.81213 -86.9136 -33.314 -88.0974 63.501 -4.55443 -33.9738 -0.0800942 -31.0921 TIMING: 4821200 CPU: 15323.2, 0.00319739/step Wall: 15323.2, 0.00319739/step, 0.158804 hours remaining, 238.613281 MB of memory in use. ENERGY: 4821200 3911.5420 20707.5710 14412.1141 237.9955 -203335.2326 2713.6927 0.0000 0.0000 52237.4715 -109114.8458 300.2095 -161352.3173 -108747.5811 299.9263 200.5751 219.8074 759304.3247 7.6034 7.5323 PRESSURE: 4821400 89.0589 -28.0864 260.072 -28.087 52.7703 -34.6583 260.072 -34.6575 365.057 GPRESSURE: 4821400 177.759 -27.8445 281.864 -66.9784 66.8147 -21.7482 291.1 -172.287 365.711 PRESSAVG: 4821400 -38.9335 -31.3961 -29.2297 -31.3961 15.1351 -31.4367 -29.2297 -31.4368 1.18401 GPRESSAVG: 4821400 -38.7915 -33.772 -29.2625 -30.761 13.5113 -29.6539 -27.988 -34.5843 2.51783 TIMING: 4821400 CPU: 15323.9, 0.00319975/step Wall: 15323.9, 0.00319975/step, 0.158743 hours remaining, 238.613281 MB of memory in use. ENERGY: 4821400 4050.1064 20813.9597 14432.2593 229.4137 -203889.0038 3034.6804 0.0000 0.0000 52013.6307 -109314.9536 298.9231 -161328.5843 -108959.9213 299.8798 168.9620 203.4284 760798.0511 -7.5381 -7.5875 PRESSURE: 4821600 -221.911 -27.604 5.94054 -27.6043 -158.186 -49.012 5.94109 -49.0114 -137.017 GPRESSURE: 4821600 -188.844 17.715 16.2569 6.52058 -69.4442 -103.195 74.0945 -88.6269 -163.213 PRESSAVG: 4821600 -17.5741 -69.2698 -29.6782 -69.2698 18.176 -78.0133 -29.6781 -78.0133 2.08081 GPRESSAVG: 4821600 -17.0955 -66.9548 -29.1552 -71.6608 19.7053 -78.1782 -29.6568 -77.8423 0.150079 TIMING: 4821600 CPU: 15324.5, 0.0031976/step Wall: 15324.5, 0.0031976/step, 0.158459 hours remaining, 238.613281 MB of memory in use. ENERGY: 4821600 4043.1870 20432.6150 14472.6390 241.3842 -203039.4766 2384.9053 0.0000 0.0000 52111.7172 -109353.0291 299.4868 -161464.7463 -108982.3650 299.5072 -172.3714 -140.5004 761746.3701 0.8942 0.9200 PRESSURE: 4821800 -165.298 187.244 8.91954 187.244 -54.4619 -203.014 8.91934 -203.014 80.9156 GPRESSURE: 4821800 -184.428 148.026 -49.7786 153.817 -28.5226 -162.983 57.3452 -236.163 143.183 PRESSAVG: 4821800 -20.1425 -49.6254 0.0970629 -49.6254 14.2392 0.529994 0.0971129 0.530036 0.807685 GPRESSAVG: 4821800 -18.7351 -51.8861 -0.000781647 -49.624 12.2357 1.14411 -0.699122 -0.655683 1.5099 TIMING: 4821800 CPU: 15325.2, 0.00319811/step Wall: 15325.2, 0.00319811/step, 0.158307 hours remaining, 238.613281 MB of memory in use. ENERGY: 4821800 3987.7777 20564.7186 14478.6419 235.0435 -202984.4361 2393.5260 0.0000 0.0000 52047.3618 -109277.3666 299.1169 -161324.7284 -108923.3261 299.7933 -46.2816 -23.2558 761194.6928 -1.6986 -1.6632 PRESSURE: 4822000 104.865 19.4577 293.587 19.4573 -351.623 -84.8069 293.587 -84.8072 -102.022 GPRESSURE: 4822000 133.273 -20.5158 317.812 35.7576 -279.069 -35.5508 214.644 -163.402 -91.0848 PRESSAVG: 4822000 13.4622 -46.8237 -4.27005 -46.8237 -36.4962 7.34618 -4.27007 7.3462 -0.275605 GPRESSAVG: 4822000 11.7754 -46.4334 -2.56013 -46.6578 -34.4672 7.21603 -3.70517 8.8371 -0.122102 TIMING: 4822000 CPU: 15325.8, 0.0031743/step Wall: 15325.8, 0.0031743/step, 0.156951 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4822000 3963.7812 20359.0073 14540.9439 237.6138 -203225.4859 2583.2146 0.0000 0.0000 52163.4793 -109377.4458 299.7842 -161540.9251 -109009.9622 300.0249 -116.2602 -78.9605 760565.7373 -7.7699 -7.6047 PRESSURE: 4822200 120.641 -136.392 132.591 -136.391 -140.715 40.7184 132.591 40.7183 5.8798 GPRESSURE: 4822200 121.533 18.3482 33.5733 -73.9182 -70.5376 7.1982 203.968 38.4192 18.0947 PRESSAVG: 4822200 -28.8388 -1.24381 19.0059 -1.24383 12.8952 26.8999 19.0059 26.8999 4.38538 GPRESSAVG: 4822200 -28.1124 -1.04763 18.0598 -0.253851 11.9921 26.0472 18.3371 26.6837 4.82733 TIMING: 4822200 CPU: 15326.4, 0.00316664/step Wall: 15326.4, 0.00316664/step, 0.156397 hours remaining, 238.613281 MB of memory in use. ENERGY: 4822200 3932.8952 20596.1157 14484.6943 263.3517 -203170.0999 2518.5578 0.0000 0.0000 51906.8607 -109467.6245 298.3094 -161374.4852 -109113.4369 299.0378 -4.7317 23.0299 761017.0933 -3.8527 -3.7643 PRESSURE: 4822400 -154.364 29.9919 39.7352 29.9908 -18.8958 72.6101 39.7349 72.6094 -499.599 GPRESSURE: 4822400 -131.936 13.2216 15.1339 -25.6766 -32.5296 146.576 -60.8707 -42.2134 -424.762 PRESSAVG: 4822400 53.8724 -22.8994 -27.8744 -22.8994 -91.1119 42.6746 -27.8745 42.6746 -28.7313 GPRESSAVG: 4822400 54.3224 -22.7155 -28.7567 -24.0347 -91.9875 44.5172 -29.5024 41.7631 -27.8181 TIMING: 4822400 CPU: 15327.1, 0.00318336/step Wall: 15327.1, 0.00318336/step, 0.157046 hours remaining, 238.613281 MB of memory in use. ENERGY: 4822400 4006.5108 20456.0354 14485.1349 262.2643 -203235.1081 2451.8199 0.0000 0.0000 51970.2525 -109603.0903 298.6738 -161573.3428 -109231.0069 298.7348 -224.2864 -196.4094 759818.3657 -21.9902 -21.8277 PRESSURE: 4822600 -378.018 -43.9628 -5.55964 -43.9641 19.5504 -151.394 -5.56117 -151.394 -37.5146 GPRESSURE: 4822600 -353.969 12.8937 42.4723 -43.8687 39.2619 -175.318 -41.1607 -125.723 2.67658 PRESSAVG: 4822600 31.1657 3.22283 -30.4778 3.22283 -22.8631 18.1835 -30.4778 18.1835 -12.5943 GPRESSAVG: 4822600 30.7542 2.24515 -30.3693 5.00285 -22.3338 16.2391 -29.0833 20.8289 -13.6803 TIMING: 4822600 CPU: 15327.7, 0.00317811/step Wall: 15327.7, 0.00317811/step, 0.15661 hours remaining, 238.613281 MB of memory in use. ENERGY: 4822600 4040.4581 20483.9903 14451.0392 250.6987 -203484.3324 2565.5567 0.0000 0.0000 52091.6962 -109600.8934 299.3717 -161692.5895 -109247.8262 298.6151 -131.9941 -104.0103 760338.1900 -1.4306 -1.7533 PRESSURE: 4822800 -37.872 92.7885 -280.485 92.7888 -253.306 106.521 -280.485 106.522 -124.221 GPRESSURE: 4822800 -0.800609 89.5854 -222.478 102.408 -161.647 38.4314 -128.309 26.1355 -177.31 PRESSAVG: 4822800 17.3972 -20.0029 -12.1319 -20.0029 -16.6541 -42.1944 -12.1319 -42.1944 -6.04228 GPRESSAVG: 4822800 17.3956 -19.0959 -12.7981 -22.0554 -16.9941 -41.8029 -12.6092 -45.3155 -5.39426 TIMING: 4822800 CPU: 15328.3, 0.00316243/step Wall: 15328.3, 0.00316243/step, 0.155662 hours remaining, 238.613281 MB of memory in use. ENERGY: 4822800 4031.6550 20518.2277 14351.8551 262.7996 -203608.3239 2840.8564 0.0000 0.0000 51868.6482 -109734.2818 298.0898 -161602.9300 -109363.1992 298.5122 -138.4661 -113.2526 762071.9786 -1.7664 -1.6643 PRESSURE: 4823000 28.499 -199.924 84.607 -199.924 100.242 -190.8 84.607 -190.8 -245.913 GPRESSURE: 4823000 15.1583 -114.89 94.1256 -144.779 150.057 -313.261 59.3348 -130.04 -202.121 PRESSAVG: 4823000 -10.0835 -78.3094 12.0875 -78.3094 -19.153 -26.1327 12.0876 -26.1327 -27.185 GPRESSAVG: 4823000 -9.33727 -79.7765 12.8597 -76.6501 -19.1404 -26.1622 10.8297 -22.9866 -27.792 TIMING: 4823000 CPU: 15329, 0.00320821/step Wall: 15329, 0.00320821/step, 0.157737 hours remaining, 238.613281 MB of memory in use. ENERGY: 4823000 3957.4810 20442.9640 14459.6395 238.3343 -203520.7686 2678.6538 0.0000 0.0000 51946.7727 -109796.9231 298.5388 -161743.6959 -109434.5269 297.7249 -39.0573 -12.3019 761303.3877 -18.8072 -18.7566 PRESSURE: 4823200 -64.0971 -44.1944 299.78 -44.1933 -150.004 110.378 299.779 110.378 -292.658 GPRESSURE: 4823200 -113.971 -148.329 218.183 34.4326 -61.4936 179.042 236.694 -74.7289 -238.154 PRESSAVG: 4823200 40.0564 -38.365 42.3262 -38.365 -54.1167 -10.2409 42.3263 -10.2409 7.34912 GPRESSAVG: 4823200 39.1213 -36.6248 43.3667 -40.3904 -54.8077 -10.5584 42.2624 -11.9358 9.13727 TIMING: 4823200 CPU: 15329.6, 0.00317411/step Wall: 15329.6, 0.00317411/step, 0.155884 hours remaining, 238.613281 MB of memory in use. ENERGY: 4823200 4158.0787 20438.5143 14431.1081 246.1044 -203310.9823 2586.1471 0.0000 0.0000 52035.2764 -109415.7534 299.0474 -161451.0298 -109066.4782 298.7308 -168.9198 -137.8731 762277.1690 -2.2371 -2.1831 PRESSURE: 4823400 -518.332 90.1919 -51.8263 90.1914 -473.482 192.669 -51.8266 192.668 -609.817 GPRESSURE: 4823400 -603.044 143.688 -24.257 155.022 -357.296 180.766 -186.71 230.826 -538.249 PRESSAVG: 4823400 24.1624 -26.1921 50.0763 -26.1921 -16.4467 -17.9552 50.0763 -17.9551 25.0008 GPRESSAVG: 4823400 24.3546 -26.8688 48.6775 -25.6349 -15.6898 -17.1089 51.9845 -18.3169 23.477 TIMING: 4823400 CPU: 15330.3, 0.00318387/step Wall: 15330.3, 0.00318387/step, 0.156186 hours remaining, 238.613281 MB of memory in use. ENERGY: 4823400 4024.9260 20397.7682 14500.3167 229.5984 -202889.8554 2132.8892 0.0000 0.0000 52244.3957 -109359.9613 300.2493 -161604.3570 -108993.2043 299.3293 -533.8771 -499.5295 763181.0917 10.9055 10.7140 PRESSURE: 4823600 -201.238 -172.656 -68.0292 -172.657 -192.187 -19.0961 -68.0285 -19.0964 283.908 GPRESSURE: 4823600 -75.6587 -144.659 -31.2398 38.0494 -196.824 -0.284049 -143.901 -80.5545 249.913 PRESSAVG: 4823600 -34.6063 -67.2416 17.6062 -67.2416 19.7194 54.7015 17.6062 54.7015 10.9315 GPRESSAVG: 4823600 -35.3865 -67.8267 18.7144 -65.6557 21.4406 53.9643 16.9088 54.2266 9.14168 TIMING: 4823600 CPU: 15330.9, 0.00317617/step Wall: 15330.9, 0.00317617/step, 0.155632 hours remaining, 238.613281 MB of memory in use. ENERGY: 4823600 3941.6685 20536.7829 14496.8789 234.4913 -202990.2998 2577.3462 0.0000 0.0000 51924.3045 -109278.8275 298.4097 -161203.1319 -108916.2182 299.0290 -36.5053 -7.5233 762770.9407 -1.3184 -1.6014 PRESSURE: 4823800 246.338 126.078 252.063 126.079 316.382 310.634 252.063 310.634 199.462 GPRESSURE: 4823800 315.684 79.4958 285.403 74.13 338.777 309.199 231.413 317.031 210.798 PRESSAVG: 4823800 -37.8127 -38.7323 -35.4052 -38.7324 34.8981 6.66061 -35.4052 6.66066 10.4317 GPRESSAVG: 4823800 -37.0183 -38.4953 -34.9892 -40.5606 32.7637 7.95813 -34.1427 6.00221 11.8937 TIMING: 4823800 CPU: 15331.5, 0.00321397/step Wall: 15331.5, 0.00321397/step, 0.157306 hours remaining, 238.613281 MB of memory in use. ENERGY: 4823800 3943.3321 20483.5259 14381.0553 257.1924 -203038.9538 2549.3107 0.0000 0.0000 52094.2051 -109330.3323 299.3861 -161424.5374 -108971.5331 299.4083 254.0607 288.4197 760947.7377 2.5057 2.5464 PRESSURE: 4824000 -354.189 -9.07935 79.3138 -9.07871 -19.8074 -48.0652 79.3135 -48.0653 -137.184 GPRESSURE: 4824000 -366.807 -4.24077 71.7857 -96.0028 19.9926 -0.137591 -94.1321 -55.9469 -82.3484 PRESSAVG: 4824000 -70.6597 -31.1105 -32.272 -31.1105 16.631 73.031 -32.272 73.031 -7.49323 GPRESSAVG: 4824000 -70.5812 -31.6314 -32.1872 -31.1793 16.6883 72.3765 -33.9144 73.6932 -6.89866 TIMING: 4824000 CPU: 15332.2, 0.00319958/step Wall: 15332.2, 0.00319958/step, 0.156424 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4824000 3983.9549 20519.0305 14508.8894 253.5157 -203031.7272 2358.8448 0.0000 0.0000 52098.0672 -109309.4247 299.4083 -161407.4920 -108945.8576 299.2268 -170.3932 -143.0541 761004.4991 -20.5073 -20.2638 PRESSURE: 4824200 152.24 196.632 -132.436 196.633 101.53 -60.119 -132.437 -60.1187 -21.3577 GPRESSURE: 4824200 189.474 117.003 -170.806 266.245 -2.59482 -58.3011 -71.5557 -87.7103 109.188 PRESSAVG: 4824200 7.40223 -36.3144 34.7741 -36.3144 -26.1592 -26.5075 34.7741 -26.5076 14.5073 GPRESSAVG: 4824200 7.05275 -34.5084 34.579 -36.0932 -26.5418 -27.0777 36.8273 -24.0683 14.7761 TIMING: 4824200 CPU: 15332.8, 0.00318241/step Wall: 15332.8, 0.00318241/step, 0.155408 hours remaining, 238.613281 MB of memory in use. ENERGY: 4824200 4003.6734 20556.3953 14461.9001 254.7825 -203233.2324 2448.3893 0.0000 0.0000 52321.1810 -109186.9107 300.6905 -161508.0917 -108818.4790 299.0802 77.4708 98.6891 758816.3008 -1.4166 -1.5710 LDB: ============= START OF LOAD BALANCING ============== 15345.2 LDB: ============== END OF LOAD BALANCING =============== 15345.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15345.2 LDB: ============= START OF LOAD BALANCING ============== 15345.5 LDB: Largest compute 7025 load 0.035460 is 18.1% of average load 0.195992 LDB: Average compute 0.004413 is 2.3% of average load 0.195992 LDB: TIME 15345.5 LOAD: AVG 0.195992 MAX 0.230222 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 15345.5 LOAD: AVG 0.195992 MAX 0.230222 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.266 MB LDB: TIME 15345.5 LOAD: AVG 0.195992 MAX 0.230222 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15345.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15345.5 PRESSURE: 4824400 -345.221 -127.743 -136.819 -127.744 -339.125 158.035 -136.819 158.035 143.194 GPRESSURE: 4824400 -317.496 -74.0946 -43.5878 -157.754 -234.6 173.806 -219.651 99.045 102.195 PRESSAVG: 4824400 14.7469 -23.6067 38.65 -23.6067 3.86914 -50.2574 38.6499 -50.2573 9.77893 GPRESSAVG: 4824400 15.4928 -24.7864 39.5581 -21.1764 4.19172 -51.5348 37.7844 -52.5356 9.04053 TIMING: 4824400 CPU: 15333.5, 0.00325063/step Wall: 15333.5, 0.00325063/step, 0.158558 hours remaining, 237.898438 MB of memory in use. ENERGY: 4824400 3984.1304 20532.0172 14552.5200 240.4886 -203153.0267 2299.0022 0.0000 0.0000 52169.1004 -109375.7679 299.8165 -161544.8683 -109020.2179 299.6266 -180.3841 -149.9670 759999.1597 9.4650 9.5750 PRESSURE: 4824600 237.511 -306.751 11.6377 -306.751 255.468 -255.941 11.6381 -255.941 -90.2317 GPRESSURE: 4824600 175.603 -238.277 25.4861 -400.524 371.548 -163.669 -64.0138 -107.265 -74.8803 PRESSAVG: 4824600 5.15763 -52.5882 25.0154 -52.5881 -36.6948 -67.4197 25.0154 -67.4197 8.92864 GPRESSAVG: 4824600 5.04063 -50.2755 24.1269 -53.7916 -35.9689 -67.1429 25.4193 -64.5388 8.33963 TIMING: 4824600 CPU: 15334.1, 0.00319708/step Wall: 15334.1, 0.00319708/step, 0.155769 hours remaining, 237.898438 MB of memory in use. ENERGY: 4824600 4031.6770 20572.6832 14482.5133 257.6521 -203489.4529 2707.3986 0.0000 0.0000 52180.4883 -109257.0404 299.8820 -161437.5287 -108894.1139 299.6546 134.2491 157.4234 759494.4995 -7.5362 -7.5296 PRESSURE: 4824800 97.2301 182.821 241.143 182.822 -240.612 -99.3909 241.143 -99.3902 154.248 GPRESSURE: 4824800 125.646 127.581 198.519 184.479 -205.234 -22.042 219.553 -33.3416 190.71 PRESSAVG: 4824800 30.7344 -55.1637 44.4996 -55.1638 -20.823 -20.3602 44.4995 -20.3601 -2.92211 GPRESSAVG: 4824800 30.5338 -56.4727 44.1763 -56.2435 -21.2897 -19.8384 45.6244 -22.414 -2.68496 TIMING: 4824800 CPU: 15334.7, 0.0031947/step Wall: 15334.7, 0.0031947/step, 0.155475 hours remaining, 237.898438 MB of memory in use. ENERGY: 4824800 3988.7987 20336.7996 14470.9651 247.2192 -203434.7477 2588.5059 0.0000 0.0000 52358.8864 -109443.5727 300.9072 -161802.4592 -109067.0859 300.1052 3.6218 37.0405 761212.2341 2.3297 2.1864 PRESSURE: 4825000 15.0088 -17.5497 104.014 -17.5501 -102.499 -272.495 104.014 -272.495 -85.6806 GPRESSURE: 4825000 92.6246 45.0382 50.145 57.5159 -125.322 -234.033 27.6694 -201.221 -82.8318 PRESSAVG: 4825000 61.8442 11.764 -17.6688 11.7639 -47.0731 -11.2752 -17.6688 -11.2752 -9.14935 GPRESSAVG: 4825000 61.116 12.5091 -18.8768 11.3703 -46.1599 -10.3322 -18.5107 -10.3485 -9.26437 TIMING: 4825000 CPU: 15335.4, 0.0032021/step Wall: 15335.4, 0.0032021/step, 0.155658 hours remaining, 237.898438 MB of memory in use. ENERGY: 4825000 3897.6968 20694.8962 14490.8382 228.4372 -203002.9881 2360.4573 0.0000 0.0000 52085.3601 -109245.3023 299.3353 -161330.6625 -108880.0014 299.4020 -57.7236 -38.5097 761987.5595 1.8739 1.8973 PRESSURE: 4825200 300.936 -21.4293 94.9395 -21.4292 457.228 36.8116 94.9395 36.812 -199.636 GPRESSURE: 4825200 226.24 72.9337 68.9958 26.9872 576.564 65.4343 83.2811 22.9957 -165.507 PRESSAVG: 4825200 2.41185 -47.3999 0.455272 -47.3999 18.7141 -20.0856 0.455273 -20.0856 -7.27075 GPRESSAVG: 4825200 2.80988 -46.2226 0.884963 -46.8749 18.1238 -21.1787 -1.58889 -16.5916 -7.30755 TIMING: 4825200 CPU: 15336, 0.00320606/step Wall: 15336, 0.00320606/step, 0.155672 hours remaining, 237.898438 MB of memory in use. ENERGY: 4825200 4029.5531 20646.1934 14437.4449 277.1935 -203345.0270 2588.8597 0.0000 0.0000 51937.5847 -109428.1976 298.4860 -161365.7823 -109069.6240 299.5850 186.1763 212.4326 760649.8436 4.6184 4.5420 PRESSURE: 4825400 -99.4065 -111.106 151.054 -111.106 408.865 76.3509 151.055 76.3518 29.3691 GPRESSURE: 4825400 -25.0512 -24.8159 185.211 -44.7668 434.949 66.0916 200.703 42.2789 19.5934 PRESSAVG: 4825400 -9.23955 18.5113 35.6118 18.5114 14.0595 -15.0596 35.6117 -15.0596 -11.7332 GPRESSAVG: 4825400 -10.1964 19.9492 35.5077 19.3121 13.2585 -13.9964 39.0586 -18.7538 -10.6908 TIMING: 4825400 CPU: 15336.7, 0.00320262/step Wall: 15336.7, 0.00320262/step, 0.155327 hours remaining, 237.898438 MB of memory in use. ENERGY: 4825400 4072.6434 20570.1654 14445.1341 256.1767 -203279.0004 2649.9458 0.0000 0.0000 51808.7546 -109476.1803 297.7456 -161284.9348 -109124.3605 298.8874 112.9426 143.1636 759742.4844 -2.3044 -2.5429 PRESSURE: 4825600 -280.901 -258.151 -80.0106 -258.15 30.1844 136.141 -80.0109 136.141 -204.409 GPRESSURE: 4825600 -170.412 -180.539 -118.414 -188.946 -40.2729 148.381 -73.7165 49.3929 -166.338 PRESSAVG: 4825600 -63.5262 -15.6781 -28.3992 -15.6781 35.1733 34.1966 -28.3992 34.1965 4.26698 GPRESSAVG: 4825600 -62.4081 -19.2589 -28.1376 -15.2677 36.7744 32.4898 -29.4097 33.8752 2.45793 TIMING: 4825600 CPU: 15337.3, 0.00317662/step Wall: 15337.3, 0.00317662/step, 0.15389 hours remaining, 237.898438 MB of memory in use. ENERGY: 4825600 4055.1368 20263.2636 14474.8141 256.0570 -203182.3991 2380.5535 0.0000 0.0000 51970.5788 -109781.9954 298.6756 -161752.5742 -109423.6710 298.9448 -151.7086 -125.6744 760261.6230 -8.0287 -7.7253 PRESSURE: 4825800 -313.828 76.0226 -12.1705 76.0223 19.0602 8.11301 -12.1708 8.11342 -443.167 GPRESSURE: 4825800 -298.648 21.8243 -49.3155 -13.6667 7.16945 0.67219 -55.5929 -136.28 -356.623 PRESSAVG: 4825800 -18.5942 -62.7508 5.46888 -62.7508 19.239 5.33654 5.46886 5.33653 0.249382 GPRESSAVG: 4825800 -20.5463 -62.8804 5.68475 -64.8486 18.323 6.82712 4.96328 5.18151 3.16356 TIMING: 4825800 CPU: 15337.9, 0.00318495/step Wall: 15337.9, 0.00318495/step, 0.154116 hours remaining, 237.898438 MB of memory in use. ENERGY: 4825800 3945.1908 20509.7592 14549.5955 248.0639 -203330.9199 2312.2353 0.0000 0.0000 51835.0572 -109931.0180 297.8968 -161766.0752 -109570.8693 298.3576 -245.9783 -216.0337 760046.4560 0.2980 0.3134 PRESSURE: 4826000 -380.862 194.893 -99.0281 194.893 -251.013 -86.6666 -99.0277 -86.6667 -57.5888 GPRESSURE: 4826000 -285.742 153.078 -3.06565 189.438 -210.343 47.0084 -111.911 47.1085 -92.7223 PRESSAVG: 4826000 8.33246 -1.41684 -44.1091 -1.41689 12.3445 41.8288 -44.1091 41.8288 3.91137 GPRESSAVG: 4826000 9.62254 -0.669956 -42.8266 -0.998977 13.1927 42.0097 -45.946 41.1641 1.84252 TIMING: 4826000 CPU: 15338.6, 0.0031698/step Wall: 15338.6, 0.0031698/step, 0.153207 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4826000 4083.7152 20544.9325 14446.9523 244.6627 -203322.9374 2158.9767 0.0000 0.0000 51909.7334 -109933.9647 298.3260 -161843.6981 -109572.4911 298.0536 -229.8213 -196.2690 760038.2387 8.1961 8.2193 PRESSURE: 4826200 -368.952 114.248 23.8899 114.248 7.86609 -10.6151 23.8903 -10.6139 -280.925 GPRESSURE: 4826200 -283.916 -44.8222 -16.1144 24.2753 -0.96694 -115.683 127.321 10.2632 -273.688 PRESSAVG: 4826200 -8.84457 -39.1323 -43.651 -39.1322 53.6137 15.8943 -43.651 15.8942 -12.5748 GPRESSAVG: 4826200 -8.4351 -40.2842 -44.5629 -38.0708 52.4266 13.2423 -42.3311 17.5426 -12.3684 TIMING: 4826200 CPU: 15339.2, 0.00316766/step Wall: 15339.2, 0.00316766/step, 0.152927 hours remaining, 237.898438 MB of memory in use. ENERGY: 4826200 4006.0206 20509.5416 14409.5478 247.9443 -203224.4127 2229.9916 0.0000 0.0000 51944.8790 -109876.4878 298.5279 -161821.3668 -109520.0461 298.8571 -214.0035 -186.1906 760236.6373 10.7314 10.5410 PRESSURE: 4826400 116.296 34.0423 -44.8265 34.0421 -46.9319 -111.09 -44.8264 -111.091 12.0101 GPRESSURE: 4826400 44.5848 -9.28318 37.0916 95.4681 89.5997 -88.9397 14.2656 -9.0371 38.4057 PRESSAVG: 4826400 -13.528 -70.1778 -31.8369 -70.1778 0.478331 -18.1953 -31.8369 -18.1953 2.13083 GPRESSAVG: 4826400 -15.1419 -68.7443 -31.032 -70.1875 0.237305 -16.2355 -30.9164 -20.4696 3.96146 TIMING: 4826400 CPU: 15339.8, 0.00318609/step Wall: 15339.8, 0.00318609/step, 0.15364 hours remaining, 237.898438 MB of memory in use. ENERGY: 4826400 3973.8122 20548.7044 14485.3611 224.3188 -203264.7753 2536.4318 0.0000 0.0000 51781.9983 -109714.1487 297.5919 -161496.1470 -109358.3661 298.3687 27.1247 57.5301 759409.3545 -3.6396 -3.6477 PRESSURE: 4826600 -5.24769 -230.034 -101.176 -230.033 -192.656 107.354 -101.175 107.354 168.424 GPRESSURE: 4826600 253.858 -133.51 -146.866 -79.3611 -275.19 26.5012 0.849202 115.892 84.4431 PRESSAVG: 4826600 41.8953 -11.1522 -40.5528 -11.1523 -29.0626 -2.64156 -40.5529 -2.64162 26.1901 GPRESSAVG: 4826600 43.291 -12.098 -40.0949 -9.43022 -28.1388 -0.518566 -42.9667 -2.6798 24.7144 TIMING: 4826600 CPU: 15340.5, 0.00318523/step Wall: 15340.5, 0.00318523/step, 0.153422 hours remaining, 237.898438 MB of memory in use. ENERGY: 4826600 4044.4247 20552.2142 14420.3225 257.4223 -202987.0046 2333.0859 0.0000 0.0000 51791.4175 -109588.1176 297.6460 -161379.5351 -109229.7081 298.2416 -9.8266 21.0371 761006.1822 13.0076 13.2889 PRESSURE: 4826800 -127.447 176.815 233.53 176.815 -111.929 -64.4099 233.531 -64.4092 335.346 GPRESSURE: 4826800 -137.924 66.4998 214.386 188.458 -38.2572 -72.3385 157.113 15.2408 352.52 PRESSAVG: 4826800 34.0714 -9.29798 -11.602 -9.29803 3.60433 -14.4542 -11.602 -14.4542 -3.21779 GPRESSAVG: 4826800 34.2508 -9.64651 -12.4193 -11.7158 3.29084 -15.5433 -10.0031 -12.6226 -3.34893 TIMING: 4826800 CPU: 15341.1, 0.00319586/step Wall: 15341.1, 0.00319586/step, 0.153756 hours remaining, 237.898438 MB of memory in use. ENERGY: 4826800 3972.3828 20614.9274 14425.1279 259.5008 -202926.6980 2312.0438 0.0000 0.0000 51764.9552 -109577.7602 297.4939 -161342.7153 -109217.9170 298.3958 31.9901 58.7797 760206.7426 11.4860 11.3976 PRESSURE: 4827000 363.878 -48.2334 132.495 -48.2334 8.2539 152.587 132.495 152.586 245.918 GPRESSURE: 4827000 368.457 -8.00646 133.18 -127.154 57.2346 234.983 7.96632 40.4843 285.57 PRESSAVG: 4827000 29.3187 -21.7538 -30.9287 -21.7537 -27.6674 32.9217 -30.9287 32.9216 -8.3269 GPRESSAVG: 4827000 29.5 -22.2966 -31.8578 -19.4028 -28.261 33.1979 -30.2253 32.8166 -7.20023 TIMING: 4827000 CPU: 15341.7, 0.00319478/step Wall: 15341.7, 0.00319478/step, 0.153527 hours remaining, 237.898438 MB of memory in use. ENERGY: 4827000 3942.4483 20406.6433 14447.0623 244.2063 -203372.8441 2693.9064 0.0000 0.0000 52141.2927 -109497.2849 299.6567 -161638.5776 -109124.3862 299.1578 206.0169 237.0872 760325.2655 -2.2252 -1.9871 PRESSURE: 4827200 184.103 58.8305 -362.798 58.8313 12.0354 -33.5229 -362.799 -33.5228 331.264 GPRESSURE: 4827200 340.617 110.23 -289.197 64.3104 -13.0291 -9.04691 -302.112 19.0307 274.347 PRESSAVG: 4827200 62.2019 -29.7546 3.49816 -29.7546 -12.1513 1.04211 3.49814 1.04213 16.3378 GPRESSAVG: 4827200 62.4889 -28.3205 4.43775 -29.2496 -11.4689 1.46945 3.12378 1.73484 15.06 TIMING: 4827200 CPU: 15342.4, 0.00319143/step Wall: 15342.4, 0.00319143/step, 0.153189 hours remaining, 237.898438 MB of memory in use. ENERGY: 4827200 4021.4999 20529.5874 14444.1089 242.7960 -203344.8417 2566.1337 0.0000 0.0000 52166.4998 -109374.2160 299.8016 -161540.7158 -109022.0511 299.4720 175.8005 200.6449 759894.2523 22.1294 22.0267 PRESSURE: 4827400 -162.113 279.567 48.3208 279.567 -255.889 69.7551 48.3211 69.7563 -127.254 GPRESSURE: 4827400 -205.332 169.433 54.6887 219.765 -225.517 21.9744 54.6739 12.0185 -52.6552 PRESSAVG: 4827400 46.7507 -14.865 7.10282 -14.8649 -43.9625 57.0612 7.10283 57.0612 0.169002 GPRESSAVG: 4827400 46.6811 -15.6547 8.25388 -17.4955 -45.3562 57.473 8.11746 55.1489 1.09341 TIMING: 4827400 CPU: 15343, 0.00316722/step Wall: 15343, 0.00316722/step, 0.151851 hours remaining, 237.898438 MB of memory in use. ENERGY: 4827400 3977.1186 20447.0936 14414.3345 228.2382 -202874.4284 2301.4679 0.0000 0.0000 52093.2261 -109412.9494 299.3805 -161506.1755 -109042.0627 299.3054 -181.7519 -161.1682 760611.4858 0.9857 0.8061 PRESSURE: 4827600 -26.9801 42.5862 -57.4729 42.5862 208.128 211.735 -57.4722 211.734 -89.9578 GPRESSURE: 4827600 1.25513 69.8908 -48.5321 77.7617 241.233 179.206 -40.6129 225.083 -47.1877 PRESSAVG: 4827600 79.0813 -31.6492 -30.9506 -31.6492 -33.2155 4.85742 -30.9506 4.85745 1.20667 GPRESSAVG: 4827600 78.2312 -31.5053 -31.5927 -31.2566 -32.0188 2.2404 -32.5283 5.83416 1.33807 TIMING: 4827600 CPU: 15343.7, 0.00316184/step Wall: 15343.7, 0.00316184/step, 0.151417 hours remaining, 237.898438 MB of memory in use. ENERGY: 4827600 3962.0743 20613.7970 14496.6503 256.5189 -203201.0348 2500.2774 0.0000 0.0000 51979.7682 -109391.9487 298.7284 -161371.7169 -109034.4618 299.7328 30.3968 65.1001 760187.7311 15.6908 15.8502 PRESSURE: 4827800 80.8218 -95.7176 99.9825 -95.7164 245.302 -162.029 99.9824 -162.028 290.709 GPRESSURE: 4827800 27.404 -77.0744 130.603 -156.533 329.496 -196.475 54.3417 -219.434 353.149 PRESSAVG: 4827800 -4.00311 -36.9662 10.9155 -36.9662 30.1601 -10.0164 10.9156 -10.0164 -2.00934 GPRESSAVG: 4827800 -3.88148 -35.9193 11.4614 -37.1695 30.4826 -10.0445 10.4176 -9.34205 -2.05155 TIMING: 4827800 CPU: 15344.3, 0.00321317/step Wall: 15344.3, 0.00321317/step, 0.153697 hours remaining, 237.898438 MB of memory in use. ENERGY: 4827800 4009.0921 20429.2342 14429.5805 249.9060 -203229.0513 2526.2289 0.0000 0.0000 52172.7951 -109412.2145 299.8378 -161585.0095 -109042.4934 299.7741 205.6108 236.6828 760646.0527 8.0492 8.1832 PRESSURE: 4828000 242.622 -98.317 48.3864 -98.3164 134.905 75.9294 48.3862 75.9294 -164.159 GPRESSURE: 4828000 219.081 -68.201 1.80427 129.862 255.733 115.06 -91.0964 51.1014 -158.491 PRESSAVG: 4828000 -37.978 -58.0134 -43.4254 -58.0135 -41.7132 7.54294 -43.4254 7.5429 3.05788 GPRESSAVG: 4828000 -37.6445 -57.1822 -45.4466 -56.3654 -42.3405 8.09796 -42.3436 6.84983 2.68841 TIMING: 4828000 CPU: 15344.9, 0.00320593/step Wall: 15344.9, 0.00320593/step, 0.153172 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4828000 3978.8477 20397.6801 14395.4163 248.3280 -203470.5300 2781.3620 0.0000 0.0000 52149.3016 -109519.5942 299.7028 -161668.8958 -109148.8763 299.3554 71.1223 105.4410 759614.1976 -25.5445 -25.7655 PRESSURE: 4828200 -18.3979 -76.9164 -156.267 -76.9165 -181.727 -82.147 -156.268 -82.1479 57.8026 GPRESSURE: 4828200 50.7223 -94.2877 -136.954 -181.239 -188.161 -62.8638 -114.982 -109.293 66.6153 PRESSAVG: 4828200 64.8005 6.02842 2.28017 6.02838 -23.0681 -18.6139 2.28015 -18.6139 -1.88915 GPRESSAVG: 4828200 63.4369 3.41419 5.43487 4.32527 -22.4915 -17.9298 3.24466 -18.912 -1.09948 TIMING: 4828200 CPU: 15345.6, 0.00321951/step Wall: 15345.6, 0.00321951/step, 0.153642 hours remaining, 237.898438 MB of memory in use. ENERGY: 4828200 3945.8850 20374.1216 14446.9783 246.9548 -203051.3485 2432.3136 0.0000 0.0000 52006.4341 -109598.6611 298.8817 -161605.0952 -109232.7723 298.7688 -47.4408 -23.6077 761592.7687 13.2811 13.2820 LDB: ============= START OF LOAD BALANCING ============== 15358 LDB: ============== END OF LOAD BALANCING =============== 15358 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15358 LDB: ============= START OF LOAD BALANCING ============== 15358.3 LDB: Largest compute 7025 load 0.036328 is 18.5% of average load 0.196041 LDB: Average compute 0.004415 is 2.3% of average load 0.196041 LDB: TIME 15358.3 LOAD: AVG 0.196041 MAX 0.218625 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 15358.3 LOAD: AVG 0.196041 MAX 0.218625 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 15358.3 LOAD: AVG 0.196041 MAX 0.218625 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 15358.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15358.3 PRESSURE: 4828400 376.295 -55.7862 -11.3534 -55.7861 90.8713 -75.4299 -11.3531 -75.4306 480.33 GPRESSURE: 4828400 353.096 84.3966 -92.1377 -121.213 174.859 -102.283 2.43493 -117.346 509.788 PRESSAVG: 4828400 6.85362 -18.6408 -34.7198 -18.6408 -27.6852 -43.4725 -34.7198 -43.4725 6.0624 GPRESSAVG: 4828400 8.5557 -17.9919 -37.3891 -17.198 -29.477 -44.0719 -34.865 -42.7439 5.93039 TIMING: 4828400 CPU: 15346.2, 0.00328242/step Wall: 15346.2, 0.00328242/step, 0.156462 hours remaining, 238.414062 MB of memory in use. ENERGY: 4828400 3902.8192 20323.3143 14427.2151 257.2443 -203547.1428 2738.9815 0.0000 0.0000 52129.0963 -109768.4721 299.5866 -161897.5684 -109403.5005 298.3801 315.8321 345.9142 759471.1190 -4.9231 -4.9970 PRESSURE: 4828600 107.623 138.574 -3.12235 138.575 -20.2511 417.753 -3.12216 417.752 -157.657 GPRESSURE: 4828600 106.275 141.549 140.522 110.167 107.579 334.63 -52.026 327.436 -187.734 PRESSAVG: 4828600 -9.75931 -30.1188 -34.3514 -30.1188 -17.7945 -14.0656 -34.3514 -14.0656 0.86679 GPRESSAVG: 4828600 -10.6752 -30.1791 -33.992 -31.893 -16.635 -13.6733 -35.7851 -13.9294 0.48017 TIMING: 4828600 CPU: 15346.9, 0.00319807/step Wall: 15346.9, 0.00319807/step, 0.152264 hours remaining, 238.414062 MB of memory in use. ENERGY: 4828600 3917.7067 20442.2141 14428.0174 253.3789 -203329.3326 2405.6191 0.0000 0.0000 51984.3501 -109898.0463 298.7548 -161882.3964 -109537.9627 298.3127 -23.4283 8.7068 760364.2232 -8.8957 -8.9434 PRESSURE: 4828800 -272.723 29.9629 -68.6342 29.9632 -91.8031 140.6 -68.6337 140.6 -207.615 GPRESSURE: 4828800 -262.282 83.5446 -106.602 35.0657 -12.3665 73.5613 -81.2942 31.2771 -203.237 PRESSAVG: 4828800 -14.9771 -16.8919 -45.3426 -16.892 23.0019 -23.852 -45.3426 -23.852 1.33634 GPRESSAVG: 4828800 -15.0129 -15.793 -45.1242 -17.6947 24.0852 -23.5716 -44.7561 -26.6466 0.624264 TIMING: 4828800 CPU: 15347.5, 0.00323023/step Wall: 15347.5, 0.00323023/step, 0.153616 hours remaining, 238.414062 MB of memory in use. ENERGY: 4828800 3945.5291 20584.6481 14460.6706 247.5478 -203497.5274 2569.8167 0.0000 0.0000 51936.6468 -109752.6684 298.4806 -161689.3151 -109395.9020 297.9921 -190.7134 -159.2950 759628.7878 3.1204 3.2322 PRESSURE: 4829000 204.01 -107.008 -44.8593 -107.008 74.7981 -27.266 -44.8592 -27.2655 8.53953 GPRESSURE: 4829000 246.526 -104.18 82.3178 -38.4003 38.0057 27.2563 -78.5312 9.4558 81.7348 PRESSAVG: 4829000 -4.94485 -2.53439 -28.9884 -2.5344 -4.08151 -8.01307 -28.9884 -8.01313 22.6382 GPRESSAVG: 4829000 -4.52744 -1.56493 -27.8896 -1.6018 -6.11703 -8.33995 -30.7866 -7.37702 24.002 TIMING: 4829000 CPU: 15348.2, 0.00319465/step Wall: 15348.2, 0.00319465/step, 0.151746 hours remaining, 238.414062 MB of memory in use. ENERGY: 4829000 3919.6779 20388.9972 14429.2087 231.8898 -203036.8851 2620.0545 0.0000 0.0000 51813.4630 -109633.5941 297.7727 -161447.0571 -109269.2742 298.1905 95.7827 122.0887 761776.0004 4.5373 4.4525 PRESSURE: 4829200 -203.442 -99.758 152.705 -99.7571 -101.435 -44.3958 152.705 -44.3962 172.404 GPRESSURE: 4829200 -179.437 -16.4305 125.63 -119.347 -115.023 30.177 107.683 72.3234 236.091 PRESSAVG: 4829200 -2.91069 -32.7523 -3.37012 -32.7523 10.7198 4.7676 -3.37015 4.76763 -15.3965 GPRESSAVG: 4829200 -3.07221 -34.3091 -2.71955 -34.3102 10.5331 4.75343 -2.85604 5.18854 -15.5643 TIMING: 4829200 CPU: 15348.8, 0.00320521/step Wall: 15348.8, 0.00320521/step, 0.152069 hours remaining, 238.414062 MB of memory in use. ENERGY: 4829200 3883.9436 20621.7039 14497.3852 232.1918 -202892.6554 2312.8841 0.0000 0.0000 51833.9142 -109510.6326 297.8902 -161344.5468 -109152.0891 298.6521 -44.1577 -19.4564 761122.6742 -2.5291 -2.7012 PRESSURE: 4829400 -154.147 110.167 -73.8335 110.166 39.3212 114.403 -73.8336 114.403 305.929 GPRESSURE: 4829400 -42.6017 113.831 -102.507 32.6685 77.1549 119.343 -73.9779 219.324 238.349 PRESSAVG: 4829400 32.8705 -35.4182 -4.90937 -35.4182 -31.9549 22.6308 -4.90936 22.6309 0.737599 GPRESSAVG: 4829400 32.989 -35.2359 -7.8441 -36.1788 -30.8609 22.0514 -4.52909 23.4411 -0.364672 TIMING: 4829400 CPU: 15349.4, 0.00318481/step Wall: 15349.4, 0.00318481/step, 0.150925 hours remaining, 238.414062 MB of memory in use. ENERGY: 4829400 3960.5842 20415.8288 14544.6847 261.2005 -202923.5612 2409.1906 0.0000 0.0000 51867.9261 -109464.1462 298.0857 -161332.0724 -109105.3349 298.9627 63.7012 90.9674 760780.2444 0.5511 0.5878 PRESSURE: 4829600 17.1593 71.6725 -148.54 71.6741 -548.248 -129.967 -148.54 -129.967 -155.8 GPRESSURE: 4829600 -1.2423 244.258 -116.013 18.1707 -423.217 -68.7853 -110.715 -95.0614 -168.981 PRESSAVG: 4829600 -2.34079 -5.65137 -11.0735 -5.65133 -16.4155 37.9749 -11.0734 37.9748 -8.10691 GPRESSAVG: 4829600 -2.76589 -5.60774 -9.76239 -3.82189 -15.6837 37.9483 -8.54506 39.4009 -8.36941 TIMING: 4829600 CPU: 15350.1, 0.00319375/step Wall: 15350.1, 0.00319375/step, 0.151171 hours remaining, 238.414062 MB of memory in use. ENERGY: 4829600 3959.4593 20505.3573 14427.6221 235.8684 -202926.4536 2340.4873 0.0000 0.0000 52069.8393 -109387.8199 299.2461 -161457.6592 -109034.1082 299.0589 -228.9629 -197.8133 762529.3073 -8.9544 -8.9397 PRESSURE: 4829800 63.0962 -147.483 430.814 -147.483 -8.08875 -86.1549 430.814 -86.1541 230.564 GPRESSURE: 4829800 158.272 -113.723 429.439 -191.936 64.9876 -69.8584 319.707 -90.8247 147.047 PRESSAVG: 4829800 21.4101 -13.4896 27.4252 -13.4895 -32.8436 -9.13446 27.4251 -9.13451 22.2342 GPRESSAVG: 4829800 21.7282 -13.8396 26.8198 -15.0306 -34.1794 -9.32599 26.189 -7.62433 23.4308 TIMING: 4829800 CPU: 15350.7, 0.00318164/step Wall: 15350.7, 0.00318164/step, 0.150421 hours remaining, 238.414062 MB of memory in use. ENERGY: 4829800 3949.9944 20499.7089 14479.5754 244.6426 -203265.6335 2417.0088 0.0000 0.0000 52192.7812 -109481.9222 299.9526 -161674.7034 -109115.2971 299.2742 95.1905 123.4357 760160.4747 3.6003 3.6598 PRESSURE: 4830000 -96.0451 -75.0377 -333.419 -75.0374 13.9035 -144.055 -333.419 -144.055 403.174 GPRESSURE: 4830000 27.1892 2.07584 -261.39 -67.514 42.9853 -77.0931 -208.296 -98.7228 332.837 PRESSAVG: 4830000 -33.5994 -62.8815 -0.952429 -62.8815 26.6897 -39.9428 -0.952367 -39.9429 -1.52274 GPRESSAVG: 4830000 -34.0293 -59.9157 -1.28708 -62.0102 26.674 -39.9883 -2.06087 -41.8995 -1.20188 TIMING: 4830000 CPU: 15351.4, 0.003205/step Wall: 15351.4, 0.003205/step, 0.151347 hours remaining, 238.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4830000 3932.4837 20443.8020 14519.0297 264.2247 -203577.9844 2579.9486 0.0000 0.0000 52299.2842 -109539.2115 300.5647 -161838.4957 -109177.2629 299.1731 107.0109 134.3372 760784.3204 -2.8108 -2.8524 PRESSURE: 4830200 18.8684 10.6476 -10.756 10.6478 42.5534 -196.196 -10.7555 -196.196 244.944 GPRESSURE: 4830200 31.4616 9.22815 3.52414 -8.38849 49.5511 -237.004 14.6788 -199.561 301.152 PRESSAVG: 4830200 28.646 -20.9936 4.55587 -20.9936 -10.1838 -3.48905 4.55586 -3.48918 -16.7194 GPRESSAVG: 4830200 30.0523 -24.111 4.24418 -20.7745 -10.3297 -3.78979 6.14032 -3.36636 -17.9975 TIMING: 4830200 CPU: 15352, 0.00317268/step Wall: 15352, 0.00317268/step, 0.149645 hours remaining, 238.414062 MB of memory in use. ENERGY: 4830200 3901.3541 20426.9876 14493.7687 268.4147 -203252.1421 2464.7338 0.0000 0.0000 51853.0861 -109843.7971 298.0004 -161696.8832 -109498.3845 299.0529 102.1219 127.3883 760444.4935 0.5809 0.5750 PRESSURE: 4830400 -31.8133 -35.9171 -25.9398 -35.9176 46.6608 -10.1271 -25.9414 -10.1261 -153.881 GPRESSURE: 4830400 -68.8342 53.9707 21.8792 -22.8565 147.979 -21.5272 -34.5332 -9.67668 -134.224 PRESSAVG: 4830400 20.7246 -75.2346 -29.7087 -75.2345 -18.1424 2.57228 -29.7087 2.57225 16.4735 GPRESSAVG: 4830400 20.3485 -74.3974 -27.056 -76.1513 -18.6508 2.71011 -32.7947 4.26841 17.9396 TIMING: 4830400 CPU: 15352.6, 0.00319546/step Wall: 15352.6, 0.00319546/step, 0.150542 hours remaining, 238.414062 MB of memory in use. ENERGY: 4830400 4055.3391 20294.2340 14428.4533 253.5108 -203779.4949 2773.4151 0.0000 0.0000 52060.4177 -109914.1248 299.1919 -161974.5425 -109550.7130 298.7586 -46.3444 -18.3596 759973.2272 6.3519 6.5458 PRESSURE: 4830600 34.4056 58.4998 93.4371 58.4998 -278.953 -34.049 93.4372 -34.0487 304.721 GPRESSURE: 4830600 41.627 53.1126 118.633 89.7733 -244.917 6.93215 60.9686 -48.7576 352.267 PRESSAVG: 4830600 39.0521 -24.8996 11.3049 -24.8995 -24.0989 31.5272 11.3048 31.5272 13.5016 GPRESSAVG: 4830600 37.6298 -23.6887 11.5721 -24.648 -21.8452 33.3029 12.5196 29.9006 12.4604 TIMING: 4830600 CPU: 15353.3, 0.00318228/step Wall: 15353.3, 0.00318228/step, 0.149744 hours remaining, 238.414062 MB of memory in use. ENERGY: 4830600 4011.1911 20319.6108 14485.3055 250.4355 -203691.1532 2607.8123 0.0000 0.0000 52076.8762 -109939.9218 299.2865 -162016.7980 -109568.5875 298.4519 20.0576 49.6589 759889.9318 9.4850 9.4150 PRESSURE: 4830800 190.681 46.7026 220.787 46.7026 58.9843 12.1953 220.788 12.1954 -219.343 GPRESSURE: 4830800 230.205 18.365 163.953 -17.0931 131.746 17.0781 232.236 47.4608 -210.879 PRESSAVG: 4830800 50.5877 -2.80433 28.1071 -2.80433 -76.6748 -8.96331 28.1071 -8.96323 -26.503 GPRESSAVG: 4830800 51.8089 -4.5424 27.3471 -4.40752 -78.0075 -9.67871 27.9467 -8.82136 -26.2238 TIMING: 4830800 CPU: 15353.9, 0.00317536/step Wall: 15353.9, 0.00317536/step, 0.149242 hours remaining, 238.414062 MB of memory in use. ENERGY: 4830800 4007.4909 20490.2040 14496.4166 230.7536 -203358.3887 2621.1360 0.0000 0.0000 51723.8484 -109788.5392 297.2577 -161512.3875 -109430.1983 298.5266 10.1075 50.3571 760968.9632 -17.5300 -17.4741 PRESSURE: 4831000 48.1182 2.67975 -204.009 2.67979 98.7833 -61.2454 -204.009 -61.2448 -323.459 GPRESSURE: 4831000 95.635 85.3122 -147.926 4.60244 124.829 -41.2504 -358.793 -205.026 -316.119 PRESSAVG: 4831000 44.8907 -69.6407 -26.0249 -69.6407 -50.7745 -33.1037 -26.0249 -33.1037 27.6409 GPRESSAVG: 4831000 44.8628 -66.9327 -25.516 -69.0702 -50.5771 -33.8173 -27.0894 -34.0741 27.411 TIMING: 4831000 CPU: 15354.5, 0.0031848/step Wall: 15354.5, 0.0031848/step, 0.149509 hours remaining, 238.414062 MB of memory in use. ENERGY: 4831000 3903.8042 20393.7333 14444.7739 261.4627 -203448.5106 2633.1676 0.0000 0.0000 52258.5410 -109553.0280 300.3306 -161811.5689 -109186.6448 298.4046 -58.8524 -31.8851 761247.5544 7.2524 7.2322 PRESSURE: 4831200 -132.787 -60.2826 -34.8671 -60.282 -158.149 -59.021 -34.8664 -59.0211 196.373 GPRESSURE: 4831200 -48.9191 -100.045 -108.85 -30.1116 -218.733 -54.6206 -9.22415 -52.5505 257.015 PRESSAVG: 4831200 37.9441 -67.723 -2.94127 -67.723 -14.4822 -58.1783 -2.94133 -58.1784 -7.00135 GPRESSAVG: 4831200 38.3612 -69.3179 -5.53889 -66.1692 -15.2521 -56.0555 -0.642561 -56.6303 -6.40674 TIMING: 4831200 CPU: 15355.2, 0.00319444/step Wall: 15355.2, 0.00319444/step, 0.149784 hours remaining, 238.414062 MB of memory in use. ENERGY: 4831200 3979.3626 20634.7412 14478.9533 235.7630 -203542.2997 2720.3171 0.0000 0.0000 51851.9166 -109641.2459 297.9937 -161493.1625 -109282.7880 299.0390 -31.5211 -3.5457 761608.7835 5.4869 5.5675 PRESSURE: 4831400 13.9748 -50.1451 -121.31 -50.1458 -273.542 123.499 -121.311 123.5 98.1904 GPRESSURE: 4831400 41.1265 -125.789 -70.8822 -3.72576 -251.21 106.704 -272.3 100.956 110.053 PRESSAVG: 4831400 37.0671 -4.48994 38.6856 -4.48995 -77.7005 0.618319 38.6856 0.618284 -2.9365 GPRESSAVG: 4831400 35.2531 -5.03648 41.5553 -4.32806 -76.1338 -1.34187 37.4214 -0.911234 -2.89501 TIMING: 4831400 CPU: 15355.8, 0.0032163/step Wall: 15355.8, 0.0032163/step, 0.15063 hours remaining, 238.671875 MB of memory in use. ENERGY: 4831400 4015.0525 20388.8624 14483.4545 242.2973 -203326.0268 2621.0569 0.0000 0.0000 52141.4213 -109433.8819 299.6575 -161575.3032 -109055.1290 299.5243 -53.7923 -33.3434 761230.8047 -14.5233 -14.5919 PRESSURE: 4831600 260.359 -50.6401 12.8894 -50.641 281.676 -60.3505 12.8888 -60.3494 -91.8226 GPRESSURE: 4831600 324.156 18.8735 -20.031 -41.4314 314.713 -2.29592 65.5564 -84.5517 -98.7594 PRESSAVG: 4831600 37.4466 -67.8523 39.504 -67.8522 -34.9156 -52.0709 39.5041 -52.0708 13.6143 GPRESSAVG: 4831600 37.9701 -68.3027 38.7392 -67.5607 -35.4734 -51.8532 41.887 -51.091 13.684 TIMING: 4831600 CPU: 15356.5, 0.00320635/step Wall: 15356.5, 0.00320635/step, 0.149986 hours remaining, 238.671875 MB of memory in use. ENERGY: 4831600 3963.6593 20512.5198 14489.7372 248.9870 -203847.7742 2926.5489 0.0000 0.0000 52209.7142 -109496.6078 300.0499 -161706.3220 -109132.1002 299.5470 150.0710 180.0364 759409.0441 5.3818 5.3936 PRESSURE: 4831800 246.168 -109.741 104.886 -109.742 271.886 -147.801 104.885 -147.802 216.741 GPRESSURE: 4831800 294.54 34.4543 75.5575 -143.296 245.798 -115.541 92.7417 -230.525 264.517 PRESSAVG: 4831800 25.0394 -67.4697 65.1093 -67.4697 29.3092 -27.9771 65.1093 -27.9771 -2.83833 GPRESSAVG: 4831800 25.2611 -67.4114 64.0846 -68.1622 28.7141 -25.8009 63.6803 -28.3001 -2.48701 TIMING: 4831800 CPU: 15357.1, 0.00321297/step Wall: 15357.1, 0.00321297/step, 0.150117 hours remaining, 238.671875 MB of memory in use. ENERGY: 4831800 4040.1548 20429.9483 14497.8770 238.7922 -203396.2545 2656.9453 0.0000 0.0000 51962.5119 -109570.0249 298.6293 -161532.5368 -109209.8340 299.1774 244.9319 268.2847 761267.7654 17.1701 17.1627 PRESSURE: 4832000 133.625 -57.5832 -76.3111 -57.5835 -230.777 78.7259 -76.3097 78.7263 186.162 GPRESSURE: 4832000 149.454 78.6041 -51.6326 -49.8048 -176.95 -85.9397 -189.314 79.8154 226.719 PRESSAVG: 4832000 53.0076 -67.4134 -41.9062 -67.4134 -52.8499 -50.7554 -41.9062 -50.7554 -1.91986 GPRESSAVG: 4832000 53.5489 -66.8532 -39.8453 -66.5679 -53.2786 -53.1816 -42.475 -51.229 -1.87204 TIMING: 4832000 CPU: 15357.7, 0.00322127/step Wall: 15357.7, 0.00322127/step, 0.150326 hours remaining, 238.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4832000 4003.1978 20507.5059 14420.9358 247.8663 -203459.5769 2670.7434 0.0000 0.0000 52000.5077 -109608.8201 298.8476 -161609.3277 -109252.6248 298.8242 29.6699 66.4074 760961.5798 -0.5874 -0.5339 PRESSURE: 4832200 -257.312 -181.901 149.084 -181.901 -25.086 65.7401 149.084 65.7397 -102.781 GPRESSURE: 4832200 -245.989 -201.112 202.508 -205.938 45.881 155.984 156.912 12.4293 -112.589 PRESSAVG: 4832200 24.0589 -27.1151 37.0089 -27.1152 -40.4393 9.29927 37.0089 9.29932 -25.5693 GPRESSAVG: 4832200 24.0382 -27.0758 35.4826 -28.7606 -40.3416 9.79744 37.4016 8.17373 -25.3049 TIMING: 4832200 CPU: 15358.4, 0.00320565/step Wall: 15358.4, 0.00320565/step, 0.149419 hours remaining, 238.671875 MB of memory in use. ENERGY: 4832200 3995.2594 20669.4348 14491.5813 238.7178 -203481.8916 2391.4883 0.0000 0.0000 52061.9810 -109633.4290 299.2009 -161695.4101 -109279.3417 299.0363 -128.3932 -104.2326 760718.6555 -13.9833 -13.8694 LDB: ============= START OF LOAD BALANCING ============== 15370.8 LDB: ============== END OF LOAD BALANCING =============== 15370.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15370.8 LDB: ============= START OF LOAD BALANCING ============== 15371.1 LDB: Largest compute 7025 load 0.034568 is 17.6% of average load 0.195999 LDB: Average compute 0.004412 is 2.3% of average load 0.195999 LDB: TIME 15371.1 LOAD: AVG 0.195999 MAX 0.220042 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 15371.1 LOAD: AVG 0.195999 MAX 0.220042 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 15371.1 LOAD: AVG 0.195999 MAX 0.220042 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 15371.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15371.1 PRESSURE: 4832400 -167.71 149.985 -212.136 149.984 -15.5058 -79.0638 -212.137 -79.0645 130.343 GPRESSURE: 4832400 -87.6634 134.708 -206.134 94.8975 -64.0087 -27.9807 -182.46 -94.8417 172.437 PRESSAVG: 4832400 9.59916 -11.4161 61.9257 -11.4161 29.1934 -25.0992 61.9258 -25.0993 7.13632 GPRESSAVG: 4832400 9.60881 -12.0405 60.0664 -12.9466 29.5465 -24.3087 61.9183 -23.4348 6.90401 TIMING: 4832400 CPU: 15359, 0.00325664/step Wall: 15359, 0.00325664/step, 0.151615 hours remaining, 238.152344 MB of memory in use. ENERGY: 4832400 4030.4586 20603.9720 14500.8177 252.2997 -203782.0032 2939.6906 0.0000 0.0000 52037.6804 -109417.0842 299.0613 -161454.7646 -109059.2355 299.3740 -17.6242 6.9216 761554.3397 15.3096 15.3531 PRESSURE: 4832600 -535.975 -90.4911 -82.903 -90.4908 -389.192 -186.109 -82.9023 -186.109 -721.534 GPRESSURE: 4832600 -481.04 -22.8545 7.36571 -32.8506 -444.672 -214.508 40.9522 -137.68 -625.087 PRESSAVG: 4832600 6.0108 -37.5519 -3.74598 -37.5519 -57.8629 -36.773 -3.746 -36.7729 -5.48865 GPRESSAVG: 4832600 6.20412 -38.3692 -1.83039 -33.9731 -58.412 -37.151 -2.44877 -37.0032 -5.08286 TIMING: 4832600 CPU: 15359.7, 0.00317504/step Wall: 15359.7, 0.00317504/step, 0.14764 hours remaining, 238.355469 MB of memory in use. ENERGY: 4832600 4094.4536 20426.3002 14476.6026 261.5945 -203091.0514 2183.5681 0.0000 0.0000 52229.6990 -109418.8333 300.1648 -161648.5324 -109058.7007 299.4919 -548.9001 -516.9327 762139.7278 -19.1136 -19.0969 PRESSURE: 4832800 -244.669 -11.3519 -46.1093 -11.3516 -367.203 121.296 -46.1089 121.296 66.8797 GPRESSURE: 4832800 -171.503 -114.596 33.3147 67.4522 -285.183 116.689 -80.8615 7.15272 11.9522 PRESSAVG: 4832800 -17.3199 10.0025 26.065 10.0025 -11.5761 -57.3234 26.0649 -57.3234 -9.55399 GPRESSAVG: 4832800 -16.0549 10.6862 27.6529 10.8091 -12.4396 -56.6589 23.9175 -57.1025 -9.15617 TIMING: 4832800 CPU: 15360.3, 0.00319803/step Wall: 15360.3, 0.00319803/step, 0.148531 hours remaining, 238.355469 MB of memory in use. ENERGY: 4832800 4037.6843 20556.1684 14457.0872 243.6851 -203428.1723 2687.1637 0.0000 0.0000 51929.4347 -109516.9489 298.4392 -161446.3836 -109154.4316 299.1781 -181.6644 -148.2447 761570.6394 -12.8167 -12.5502 PRESSURE: 4833000 -276.228 -17.1546 -140.467 -17.1554 -266.786 115.287 -140.467 115.286 -252.768 GPRESSURE: 4833000 -224.433 -66.1061 -231.228 -54.9344 -132.046 125.877 5.14737 -46.8268 -367.195 PRESSAVG: 4833000 32.5743 -16.8433 20.525 -16.8432 -11.2722 -41.5491 20.525 -41.549 0.303218 GPRESSAVG: 4833000 30.5268 -16.7924 18.1749 -17.7277 -9.14328 -43.2075 21.6754 -42.1842 0.169896 TIMING: 4833000 CPU: 15361, 0.00318788/step Wall: 15361, 0.00318788/step, 0.147882 hours remaining, 238.355469 MB of memory in use. ENERGY: 4833000 4101.1769 20585.7285 14510.4504 240.4370 -203458.8886 2610.3550 0.0000 0.0000 52060.8555 -109349.8853 299.1945 -161410.7407 -108988.9635 299.1537 -265.2606 -241.2246 761690.4929 7.2018 7.1845 PRESSURE: 4833200 277.878 -232.748 -136.64 -232.748 -40.8872 280.95 -136.641 280.949 129.001 GPRESSURE: 4833200 239.407 -127.74 -105.101 -166.097 13.1297 189.859 -77.6776 260.572 182.682 PRESSAVG: 4833200 25.654 -55.2551 -33.5844 -55.255 -38.3061 20.9419 -33.5845 20.9419 2.3466 GPRESSAVG: 4833200 26.1837 -53.3162 -33.0827 -56.9779 -39.6044 22.622 -34.0784 19.8295 2.75369 TIMING: 4833200 CPU: 15361.6, 0.00317625/step Wall: 15361.6, 0.00317625/step, 0.147166 hours remaining, 238.355469 MB of memory in use. ENERGY: 4833200 4002.3122 20413.8607 14520.9352 272.7688 -203506.3938 2947.0993 0.0000 0.0000 51806.2148 -109543.2029 297.7310 -161349.4177 -109185.6324 298.9712 121.9974 145.0729 760817.9494 -3.4352 -3.5557 PRESSURE: 4833400 -3.44205 -84.2669 -88.7581 -84.2675 71.6955 -39.8395 -88.7575 -39.8402 -335.068 GPRESSURE: 4833400 -4.72892 -28.2613 -89.2772 41.6236 86.0228 -42.5003 5.17026 -118.45 -253.835 PRESSAVG: 4833400 -3.37013 -73.3932 -18.7162 -73.3931 -29.1283 -11.649 -18.7162 -11.649 18.8234 GPRESSAVG: 4833400 -4.31099 -73.175 -17.8255 -72.013 -28.7803 -13.5868 -18.3999 -10.6274 19.4672 TIMING: 4833400 CPU: 15362.2, 0.00319357/step Wall: 15362.2, 0.00319357/step, 0.147792 hours remaining, 238.355469 MB of memory in use. ENERGY: 4833400 3942.8178 20395.5875 14456.7200 251.8349 -203382.1494 2628.9075 0.0000 0.0000 52072.7189 -109633.5629 299.2626 -161706.2818 -109263.9823 298.6892 -88.9381 -57.5137 760372.8484 -4.5583 -4.5414 PRESSURE: 4833600 58.7123 -31.9735 50.8783 -31.9733 94.9437 13.7817 50.8784 13.7818 -87.3969 GPRESSURE: 4833600 53.2121 -47.0073 90.1034 -22.0147 98.2851 64.9944 -21.4666 100.787 10.2698 PRESSAVG: 4833600 35.7419 -13.8744 47.1991 -13.8744 -9.5766 21.7118 47.1991 21.7118 -24.9754 GPRESSAVG: 4833600 35.9443 -15.4326 48.1904 -14.257 -8.85421 23.0948 47.0224 21.6109 -25.9414 TIMING: 4833600 CPU: 15362.9, 0.00319261/step Wall: 15362.9, 0.00319261/step, 0.147569 hours remaining, 238.355469 MB of memory in use. ENERGY: 4833600 3919.4333 20347.4802 14587.4167 237.6078 -203549.8948 2706.4621 0.0000 0.0000 52092.7677 -109658.7270 299.3779 -161751.4946 -109288.4834 298.8371 22.0864 53.9223 762226.2431 0.3966 0.3829 PRESSURE: 4833800 -44.7813 -37.3185 -40.9564 -37.3172 178.547 -151.815 -40.9561 -151.816 122.71 GPRESSURE: 4833800 30.231 8.47828 -70.9662 -117.258 199.684 -213.615 24.8561 -195.115 104.622 PRESSAVG: 4833800 55.7542 -68.6079 11.5951 -68.608 -17.1206 -50.4141 11.5952 -50.4141 18.496 GPRESSAVG: 4833800 56.4946 -68.272 11.5196 -68.6893 -17.7961 -50.6096 12.1049 -47.2513 18.8399 TIMING: 4833800 CPU: 15363.5, 0.0031807/step Wall: 15363.5, 0.0031807/step, 0.146842 hours remaining, 238.355469 MB of memory in use. ENERGY: 4833800 3932.3538 20490.7280 14463.1151 253.3336 -203293.4918 2489.0319 0.0000 0.0000 51889.9664 -109774.9630 298.2124 -161664.9294 -109412.7253 298.8778 85.4919 111.5124 761763.1673 19.0432 19.1795 PRESSURE: 4834000 84.3762 -100.612 122.947 -100.613 -196.677 140.809 122.947 140.809 -60.5474 GPRESSURE: 4834000 10.0711 -201.755 172.65 -103.277 -33.787 220.846 65.7858 -14.6255 -61.0454 PRESSAVG: 4834000 35.6305 -38.4351 28.0687 -38.4351 -22.035 -26.9946 28.0687 -26.9947 -5.09248 GPRESSAVG: 4834000 34.5418 -38.4893 26.3572 -39.5261 -21.7679 -26.7363 26.4957 -29.6 -4.60876 TIMING: 4834000 CPU: 15364.1, 0.00320726/step Wall: 15364.1, 0.00320726/step, 0.14789 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4834000 4023.7069 20502.5105 14483.6127 252.9935 -203474.0019 2538.4625 0.0000 0.0000 51897.6939 -109775.0219 298.2568 -161672.7158 -109421.8003 298.3320 -57.6159 -28.2538 761244.1010 2.8344 2.7217 PRESSURE: 4834200 -59.2278 -249.9 124.739 -249.899 -55.181 77.0178 124.739 77.0179 2.11241 GPRESSURE: 4834200 154.814 -147.32 89.2743 -191.755 -75.8387 48.9893 -0.154819 260.688 -93.5905 PRESSAVG: 4834200 13.3353 -77.3251 37.7388 -77.325 -21.3338 13.3251 37.7388 13.325 0.7015 GPRESSAVG: 4834200 14.0991 -76.8909 37.832 -75.7892 -21.8044 12.9381 39.0353 12.8579 0.434974 TIMING: 4834200 CPU: 15364.8, 0.0032181/step Wall: 15364.8, 0.0032181/step, 0.148211 hours remaining, 238.355469 MB of memory in use. ENERGY: 4834200 3950.9843 20471.6165 14491.1385 243.7507 -204011.1040 2884.8281 0.0000 0.0000 52276.2374 -109692.5487 300.4323 -161968.7860 -109323.9957 299.1631 -37.4321 -4.8716 759233.9634 -2.4323 -2.4234 PRESSURE: 4834400 55.6437 32.502 -244.045 32.501 16.7688 -157.738 -244.046 -157.738 -176.649 GPRESSURE: 4834400 100.177 64.8666 -333.553 108.004 57.5233 -69.6849 -387.732 -165.314 -181.534 PRESSAVG: 4834400 41.7215 -0.659456 -2.67183 -0.6595 -40.1993 -4.99904 -2.67184 -4.99902 -10.1835 GPRESSAVG: 4834400 41.6085 -3.18105 -3.25551 -2.58625 -41.0765 -6.54792 -5.95086 -3.64337 -9.17201 TIMING: 4834400 CPU: 15365.4, 0.00323933/step Wall: 15365.4, 0.00323933/step, 0.149009 hours remaining, 238.355469 MB of memory in use. ENERGY: 4834400 3987.8646 20536.9219 14475.1548 252.7121 -203362.9649 2588.9592 0.0000 0.0000 51958.8548 -109562.4976 298.6083 -161521.3523 -109195.0801 298.5497 -34.7456 -7.9445 761576.5279 -2.8871 -2.8800 PRESSURE: 4834600 121.025 14.4103 -123.288 14.411 -161.163 413.397 -123.288 413.397 -32.5548 GPRESSURE: 4834600 193.785 82.5884 -79.198 -145.112 -140.864 315.79 -74.3709 290.434 -37.8737 PRESSAVG: 4834600 46.6894 -40.322 -32.7559 -40.3219 -0.47891 9.52653 -32.7558 9.5265 -44.0102 GPRESSAVG: 4834600 47.5637 -38.1045 -32.0102 -41.1141 0.200102 10.6837 -31.2123 10.3592 -44.8367 TIMING: 4834600 CPU: 15366.1, 0.00319289/step Wall: 15366.1, 0.00319289/step, 0.146696 hours remaining, 238.355469 MB of memory in use. ENERGY: 4834600 4069.8480 20322.7387 14455.6543 235.8998 -203072.4557 2483.3829 0.0000 0.0000 52128.9944 -109375.9376 299.5860 -161504.9321 -109000.8415 299.0487 -24.2310 5.0156 763531.6500 0.7334 0.9757 PRESSURE: 4834800 10.694 -52.5257 157.695 -52.5257 -136.429 -21.7305 157.695 -21.7304 241.512 GPRESSURE: 4834800 91.184 89.2026 63.2448 -62.0678 -38.305 -23.5376 217.861 96.5742 148.968 PRESSAVG: 4834800 24.6772 -74.8942 -15.7275 -74.8942 -46.0184 59.6408 -15.7275 59.6408 12.6228 GPRESSAVG: 4834800 23.5165 -77.2806 -15.2289 -72.0459 -44.662 60.0391 -14.8247 57.1445 12.5919 TIMING: 4834800 CPU: 15366.7, 0.00321763/step Wall: 15366.7, 0.00321763/step, 0.147654 hours remaining, 238.355469 MB of memory in use. ENERGY: 4834800 3974.0028 20551.6706 14497.5726 239.7430 -203271.6966 2529.2829 0.0000 0.0000 51972.5925 -109506.8322 298.6872 -161479.4247 -109156.6412 299.0800 38.5922 67.2822 761183.0622 -2.9061 -2.8512 PRESSURE: 4835000 -446.035 -104.274 133.566 -104.273 -164.169 -203.759 133.565 -203.759 -365.668 GPRESSURE: 4835000 -424.091 -15.4169 128.607 -91.5331 -107.532 -172.183 -6.92432 -213.061 -381.195 PRESSAVG: 4835000 -1.49236 -76.08 14.2253 -76.0799 39.444 17.0284 14.2253 17.0284 10.5545 GPRESSAVG: 4835000 -0.802517 -75.7255 11.6944 -77.407 38.3 17.39 14.3337 18.2873 11.2153 TIMING: 4835000 CPU: 15367.4, 0.00319658/step Wall: 15367.4, 0.00319658/step, 0.14651 hours remaining, 238.355469 MB of memory in use. ENERGY: 4835000 3977.9525 20635.1453 14452.5888 236.1942 -203039.7328 2423.1871 0.0000 0.0000 52028.6125 -109286.0524 299.0092 -161314.6650 -108924.6576 299.0811 -325.2908 -304.2726 760569.1784 16.1687 16.2376 PRESSURE: 4835200 31.0807 48.859 176.388 48.8589 -25.7113 164.131 176.388 164.13 55.9861 GPRESSURE: 4835200 69.9219 25.613 227.113 132.411 48.116 148.599 22.4162 6.76035 30.4422 PRESSAVG: 4835200 -33.1845 -17.0108 34.0086 -17.0108 12.3232 66.2413 34.0087 66.2414 1.40624 GPRESSAVG: 4835200 -33.5535 -14.98 37.8604 -16.7436 12.4432 66.3932 32.4701 64.2164 1.69378 TIMING: 4835200 CPU: 15368, 0.00320178/step Wall: 15368, 0.00320178/step, 0.14657 hours remaining, 238.355469 MB of memory in use. ENERGY: 4835200 4041.7079 20436.4109 14465.6880 263.2032 -203074.2915 2534.2724 0.0000 0.0000 52082.4363 -109250.5728 299.3185 -161333.0091 -108893.1557 299.6180 20.4518 49.4933 759287.8548 -6.4850 -6.4722 PRESSURE: 4835400 -158.863 27.6913 118.855 27.6912 -277.525 -272.592 118.854 -272.592 -290.366 GPRESSURE: 4835400 -228.443 -19.2241 152.26 130.97 -75.0346 -241.893 86.7548 -133.906 -318.096 PRESSAVG: 4835400 28.0833 6.08879 18.9126 6.0888 -52.4655 59.2261 18.9125 59.2261 10.4466 GPRESSAVG: 4835400 27.5519 3.3188 17.2374 6.71226 -51.3384 58.4409 19.1667 61.4456 9.90931 TIMING: 4835400 CPU: 15368.6, 0.0032059/step Wall: 15368.6, 0.0032059/step, 0.146581 hours remaining, 238.355469 MB of memory in use. ENERGY: 4835400 3960.6542 20464.0605 14439.2679 279.0150 -202946.4159 2336.6092 0.0000 0.0000 52264.6637 -109202.1454 300.3657 -161466.8091 -108837.3983 299.7945 -242.2509 -207.1913 760249.8566 -4.6452 -4.6257 PRESSURE: 4835600 15.5877 -160.224 -156.372 -160.223 -118.837 -239.387 -156.372 -239.386 -6.16964 GPRESSURE: 4835600 18.6292 -173.793 -133.347 -54.447 -16.1385 -181.747 -32.2139 -137.937 -32.8851 PRESSAVG: 4835600 54.9167 -29.562 -12.6031 -29.562 5.65597 -46.1151 -12.603 -46.1152 28.5539 GPRESSAVG: 4835600 55.266 -29.2958 -12.2622 -31.6585 5.04984 -46.6856 -11.0841 -44.8226 28.6501 TIMING: 4835600 CPU: 15369.3, 0.00320105/step Wall: 15369.3, 0.00320105/step, 0.146181 hours remaining, 238.355469 MB of memory in use. ENERGY: 4835600 4044.4246 20368.1943 14491.1526 265.4747 -203150.8527 2548.8171 0.0000 0.0000 52072.7805 -109360.0088 299.2630 -161432.7893 -108996.6587 300.3091 -36.4729 -10.1315 760338.7006 29.7089 29.6553 PRESSURE: 4835800 -267.958 -276.393 159.855 -276.392 -249.293 -11.8559 159.855 -11.8551 249.703 GPRESSURE: 4835800 -190.38 -88.5337 30.4912 -293.196 -223.892 -55.1166 9.07328 -149.786 223.453 PRESSAVG: 4835800 115.591 -46.5552 -50.1782 -46.5553 -67.244 -7.48511 -50.1782 -7.48501 6.76285 GPRESSAVG: 4835800 114.713 -46.9544 -50.889 -43.5559 -66.1887 -7.14064 -49.6375 -9.32938 6.58364 TIMING: 4835800 CPU: 15369.9, 0.00320543/step Wall: 15369.9, 0.00320543/step, 0.146203 hours remaining, 238.355469 MB of memory in use. ENERGY: 4835800 4055.1348 20472.2715 14472.1188 268.8061 -203475.1106 2657.5593 0.0000 0.0000 51990.3874 -109558.8327 298.7895 -161549.2201 -109208.8654 299.8263 -89.1826 -63.6064 759013.8556 18.3699 18.3693 PRESSURE: 4836000 -34.0879 92.4645 -79.0626 92.4648 -162.511 -222.047 -79.0623 -222.047 -14.2113 GPRESSURE: 4836000 7.54906 133.495 8.23571 62.5355 -128.093 -218.047 -96.3987 -178.577 -14.6807 PRESSAVG: 4836000 42.7014 -51.2159 9.2517 -51.2159 -64.7092 76.4144 9.25168 76.4143 -18.4656 GPRESSAVG: 4836000 43.4031 -49.6099 12.5233 -52.1478 -65.0231 77.6374 5.82065 74.3609 -18.4463 TIMING: 4836000 CPU: 15370.6, 0.00320778/step Wall: 15370.6, 0.00320778/step, 0.146132 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4836000 4102.8295 20547.1426 14438.1426 261.3512 -203425.7172 2546.5826 0.0000 0.0000 52110.9748 -109418.6940 299.4825 -161529.6688 -109063.3174 298.9682 -70.2700 -45.0748 759338.8492 -13.4911 -13.3554 PRESSURE: 4836200 -175.838 -185.383 -23.2172 -185.383 360.066 -20.7042 -23.2171 -20.7041 -329.03 GPRESSURE: 4836200 -105.375 -266.716 -0.289012 -326.973 319.877 29.0774 -123.982 -24.0429 -274.256 PRESSAVG: 4836200 32.5511 -57.83 -3.89211 -57.83 -33.9645 31.1121 -3.89212 31.1121 1.55252 GPRESSAVG: 4836200 33.218 -58.2011 -5.44123 -59.9495 -35.653 30.8827 -2.0875 31.2293 2.51102 TIMING: 4836200 CPU: 15371.2, 0.00318846/step Wall: 15371.2, 0.00318846/step, 0.145075 hours remaining, 238.355469 MB of memory in use. ENERGY: 4836200 3993.6261 20461.2684 14487.4023 261.6540 -203070.4794 2459.7003 0.0000 0.0000 52031.5141 -109375.3142 299.0258 -161406.8283 -109006.3119 299.4976 -48.2676 -19.9177 761046.8218 0.0464 0.0253 LDB: ============= START OF LOAD BALANCING ============== 15383.6 LDB: ============== END OF LOAD BALANCING =============== 15383.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15383.6 LDB: ============= START OF LOAD BALANCING ============== 15383.9 LDB: Largest compute 7025 load 0.037924 is 19.4% of average load 0.195915 LDB: Average compute 0.004415 is 2.3% of average load 0.195915 LDB: TIME 15383.9 LOAD: AVG 0.195915 MAX 0.219951 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 15383.9 LOAD: AVG 0.195915 MAX 0.219951 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 15383.9 LOAD: AVG 0.195915 MAX 0.219951 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15383.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15383.9 PRESSURE: 4836400 -198.461 62.9072 169.123 62.908 -100.77 -9.86741 169.124 -9.86683 -79.4508 GPRESSURE: 4836400 -131.391 -31.2817 179.3 110.21 -79.7885 -22.5171 56.8251 -6.17065 -69.9035 PRESSAVG: 4836400 12.3458 -59.3404 79.8907 -59.3404 40.6109 37.9512 79.8906 37.9512 -2.39391 GPRESSAVG: 4836400 12.252 -58.6049 78.7006 -58.4461 42.019 36.0476 80.2666 39.4265 -2.88403 TIMING: 4836400 CPU: 15371.9, 0.00329351/step Wall: 15371.9, 0.00329351/step, 0.149672 hours remaining, 237.437500 MB of memory in use. ENERGY: 4836400 4021.7700 20425.9094 14430.6707 247.4971 -203179.1728 2243.1688 0.0000 0.0000 52292.3178 -109517.8389 300.5247 -161810.1567 -109153.4162 299.3757 -126.2274 -93.6944 759766.5083 16.8542 17.1290 PRESSURE: 4836600 145.635 -69.1933 -26.2465 -69.1938 -5.60082 160.041 -26.2461 160.042 101.666 GPRESSURE: 4836600 244.895 -158.67 -20.7691 -24.1015 -22.8613 69.2077 86.6448 184.678 95.8879 PRESSAVG: 4836600 44.1089 -35.3689 25.5513 -35.3689 -107.535 12.0368 25.5512 12.0368 -0.59165 GPRESSAVG: 4836600 44.337 -35.2582 25.7116 -34.7685 -107.685 13.7528 24.7603 10.7248 -0.425558 TIMING: 4836600 CPU: 15372.5, 0.0031994/step Wall: 15372.5, 0.0031994/step, 0.145217 hours remaining, 237.437500 MB of memory in use. ENERGY: 4836600 3911.0679 20501.5808 14426.9778 230.4817 -203216.9274 2677.9472 0.0000 0.0000 52044.4108 -109424.4612 299.0999 -161468.8720 -109062.7041 299.2638 80.5665 105.9740 760122.9997 -21.3393 -21.2580 PRESSURE: 4836800 18.1898 -23.1533 41.1169 -23.1543 233.496 134.894 41.1171 134.894 -65.5055 GPRESSURE: 4836800 123.902 30.7063 -26.8578 -5.3865 228.885 108.949 -12.2299 34.6226 -86.3436 PRESSAVG: 4836800 38.9447 -42.4069 -15.8922 -42.4068 -20.9442 -4.013 -15.8921 -4.01295 9.29406 GPRESSAVG: 4836800 40.5586 -41.8149 -16.751 -40.8036 -21.3571 -3.96517 -13.082 -2.15966 8.61624 TIMING: 4836800 CPU: 15373.1, 0.00320105/step Wall: 15373.1, 0.00320105/step, 0.145114 hours remaining, 237.437500 MB of memory in use. ENERGY: 4836800 3948.3678 20564.9438 14455.3541 243.7535 -203586.9006 2742.0610 0.0000 0.0000 52076.9883 -109555.4321 299.2872 -161632.4204 -109195.5175 299.5397 62.0599 88.8145 759628.7506 9.0982 9.2726 PRESSURE: 4837000 286.026 -140.534 -73.4725 -140.534 27.8796 110.914 -73.473 110.915 212.441 GPRESSURE: 4837000 241.816 -114.276 -107.053 -17.1215 84.6501 62.3952 -59.6271 132.114 278.054 PRESSAVG: 4837000 17.9237 -122.534 21.0409 -122.534 -2.5281 -8.79859 21.041 -8.7986 7.43894 GPRESSAVG: 4837000 16.6281 -123.084 23.3416 -124.169 -2.14972 -10.2508 18.9298 -7.29323 8.1065 TIMING: 4837000 CPU: 15373.8, 0.00321605/step Wall: 15373.8, 0.00321605/step, 0.145616 hours remaining, 237.437500 MB of memory in use. ENERGY: 4837000 3979.6001 20489.7517 14512.3971 242.6872 -203058.6295 2480.6230 0.0000 0.0000 51956.3372 -109397.2332 298.5938 -161353.5704 -109035.7694 299.3965 175.4489 201.5068 760678.6447 7.6115 7.5283 PRESSURE: 4837200 423.443 -23.2541 134.288 -23.2542 42.9963 184.611 134.288 184.611 -141.424 GPRESSURE: 4837200 492.071 23.6959 172.505 -61.8146 29.4019 175.018 111.242 193.088 -126.17 PRESSAVG: 4837200 0.322652 -58.1283 25.2038 -58.1282 -45.6404 24.6887 25.2038 24.6887 -2.66336 GPRESSAVG: 4837200 -0.627406 -59.6417 24.2257 -57.9665 -45.1914 25.2966 25.2199 22.2714 -2.78264 TIMING: 4837200 CPU: 15374.4, 0.00321842/step Wall: 15374.4, 0.00321842/step, 0.145544 hours remaining, 237.437500 MB of memory in use. ENERGY: 4837200 4020.7711 20762.1634 14434.7261 230.6042 -203346.8401 2456.0569 0.0000 0.0000 51934.9819 -109507.5365 298.4711 -161442.5184 -109153.2471 299.5890 108.3384 131.7677 759994.2145 -15.9937 -16.2005 PRESSURE: 4837400 -242.63 -114.711 198.984 -114.711 135.646 31.1637 198.984 31.1636 68.3567 GPRESSURE: 4837400 -142.525 -124.466 243.658 -79.4193 159.662 16.6514 253.962 -21.5105 39.2786 PRESSAVG: 4837400 -42.6855 -12.6315 -18.1443 -12.6315 30.1223 16.1085 -18.1443 16.1085 1.58957 GPRESSAVG: 4837400 -40.9992 -11.3305 -17.946 -12.2508 29.3092 16.3374 -18.7036 15.6285 0.723145 TIMING: 4837400 CPU: 15375.1, 0.00321208/step Wall: 15375.1, 0.00321208/step, 0.145079 hours remaining, 237.437500 MB of memory in use. ENERGY: 4837400 3980.1294 20511.2596 14499.8128 249.4382 -203243.6701 2394.1572 0.0000 0.0000 52173.0325 -109435.8404 299.8391 -161608.8729 -109076.4677 299.7084 -12.8756 18.8051 761825.4622 -3.6578 -3.6556 PRESSURE: 4837600 209.766 121.108 170.956 121.106 -10.0252 41.0542 170.957 41.0545 309.866 GPRESSURE: 4837600 272.767 56.6435 57.5445 42.4268 -66.8011 114.902 143.838 38.9236 385.059 PRESSAVG: 4837600 24.8556 -43.3877 -0.662573 -43.3877 -7.40322 36.5356 -0.662534 36.5355 8.86431 GPRESSAVG: 4837600 22.8773 -43.7644 -2.06102 -45.0338 -7.28205 37.1546 0.358429 36.9454 9.85634 TIMING: 4837600 CPU: 15375.7, 0.00322518/step Wall: 15375.7, 0.00322518/step, 0.145491 hours remaining, 237.437500 MB of memory in use. ENERGY: 4837600 3904.3137 20438.7499 14444.1411 249.7494 -203267.2343 2519.0459 0.0000 0.0000 52251.9825 -109459.2518 300.2929 -161711.2343 -109097.6814 299.5079 169.8692 197.0084 760568.9327 8.7722 8.4839 PRESSURE: 4837800 -167.734 142.807 -361.079 142.807 266.565 -189.278 -361.08 -189.276 -135.788 GPRESSURE: 4837800 -181.251 178.309 -410.938 127.598 316.847 -206.482 -200.02 -179.195 -106.801 PRESSAVG: 4837800 38.9922 -31.9066 -14.1566 -31.9066 -41.9491 60.7326 -14.1565 60.7325 3.01755 GPRESSAVG: 4837800 39.6193 -31.6713 -14.1705 -31.0083 -41.8262 57.1984 -15.4079 63.3123 2.24429 TIMING: 4837800 CPU: 15376.4, 0.00323392/step Wall: 15376.4, 0.00323392/step, 0.145706 hours remaining, 237.437500 MB of memory in use. ENERGY: 4837800 3928.9945 20363.8090 14511.2174 261.3245 -203130.6878 2228.8244 0.0000 0.0000 52232.1515 -109604.3663 300.1789 -161836.5179 -109238.6100 299.0052 -12.3191 9.5986 760549.8437 0.0202 0.0125 PRESSURE: 4838000 -294.225 -154.77 -43.1348 -154.771 -144.475 -124.828 -43.1347 -124.828 314.493 GPRESSURE: 4838000 -258.605 -111.949 78.1968 -216.813 -102.381 -207.549 -37.82 109.441 320.641 PRESSAVG: 4838000 50.6867 -62.9511 -54.0186 -62.951 -47.7885 18.295 -54.0185 18.2951 -26.0515 GPRESSAVG: 4838000 50.9046 -62.5694 -54.3618 -62.9772 -48.4448 21.0038 -51.2455 16.9267 -25.8572 TIMING: 4838000 CPU: 15377, 0.00320961/step Wall: 15377, 0.00320961/step, 0.144432 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4838000 3892.4951 20512.9155 14378.5290 283.8370 -202615.1205 2071.3739 0.0000 0.0000 51935.2553 -109540.7147 298.4726 -161475.9700 -109170.8831 298.2548 -41.4023 -13.4484 761812.6758 -7.7178 -7.7991 PRESSURE: 4838200 307.928 -236.565 64.0934 -236.566 1.73338 -197.302 64.0926 -197.301 20.5577 GPRESSURE: 4838200 279.941 -140.183 -67.0952 -250.693 57.3598 -178.229 31.2544 -166.721 87.394 PRESSAVG: 4838200 -37.5869 -44.4081 4.04283 -44.4081 6.2002 -15.002 4.04279 -15.002 28.4526 GPRESSAVG: 4838200 -39.3935 -43.2878 2.93466 -45.632 7.77454 -14.3798 3.39995 -15.6976 28.4637 TIMING: 4838200 CPU: 15377.6, 0.00319085/step Wall: 15377.6, 0.00319085/step, 0.143411 hours remaining, 237.437500 MB of memory in use. ENERGY: 4838200 4022.0237 20391.0477 14443.0333 246.9082 -203225.0900 2562.1631 0.0000 0.0000 51981.9159 -109577.9980 298.7408 -161559.9140 -109204.9699 298.7655 110.0731 141.5650 761134.2685 -0.9780 -1.0517 PRESSURE: 4838400 437.299 -151.557 88.7818 -151.557 -72.3374 15.8535 88.7812 15.8533 -106.169 GPRESSURE: 4838400 384.884 -269.555 35.5719 -197.488 17.6756 12.4021 227.575 52.6739 -55.304 PRESSAVG: 4838400 -21.0417 -87.0268 3.77632 -87.0269 -11.6036 10.6945 3.77638 10.6946 -22.8814 GPRESSAVG: 4838400 -19.011 -89.7496 2.56335 -86.3292 -12.3394 10.0585 4.98942 11.924 -23.6823 TIMING: 4838400 CPU: 15378.3, 0.00320349/step Wall: 15378.3, 0.00320349/step, 0.143801 hours remaining, 237.437500 MB of memory in use. ENERGY: 4838400 4027.5433 20277.6508 14503.3633 207.0572 -203325.3513 2523.0041 0.0000 0.0000 52180.5205 -109606.2121 299.8822 -161786.7326 -109237.4667 299.1127 86.2644 115.7519 760128.6909 -18.5089 -18.3442 PRESSURE: 4838600 -268.673 -24.8693 204.792 -24.8692 89.5963 22.2374 204.793 22.2381 -211.116 GPRESSURE: 4838600 -274.682 -14.7747 238.575 -129.98 158.493 -5.0377 87.8212 8.541 -200.122 PRESSAVG: 4838600 11.7013 -47.2178 -40.3024 -47.2178 10.4142 -12.7092 -40.3024 -12.7092 5.37089 GPRESSAVG: 4838600 10.6587 -46.5559 -36.8224 -47.1587 10.4883 -14.3479 -42.4104 -12.577 6.14287 TIMING: 4838600 CPU: 15378.9, 0.00319874/step Wall: 15378.9, 0.00319874/step, 0.14341 hours remaining, 237.437500 MB of memory in use. ENERGY: 4838600 3978.4293 20376.6118 14490.8370 250.1109 -203369.2049 2529.4676 0.0000 0.0000 52310.9666 -109432.7818 300.6318 -161743.7484 -109066.0045 299.3923 -130.0642 -105.4373 759986.3197 9.1621 9.0966 PRESSURE: 4838800 -378.576 -125.686 -288.641 -125.687 -55.0964 36.1904 -288.64 36.19 62.7802 GPRESSURE: 4838800 -278.18 -102.248 -244.873 -116.352 -54.8929 -109.331 -300.257 125.658 57.3452 PRESSAVG: 4838800 -27.3508 -40.274 10.211 -40.2741 -12.3499 40.1984 10.211 40.1984 -11.4539 GPRESSAVG: 4838800 -27.6026 -37.7757 8.8064 -39.2329 -12.911 43.6469 10.3323 38.7992 -11.0384 TIMING: 4838800 CPU: 15379.6, 0.00320834/step Wall: 15379.6, 0.00320834/step, 0.143662 hours remaining, 237.437500 MB of memory in use. ENERGY: 4838800 4011.7844 20471.5259 14451.1268 229.8094 -203309.4440 2553.4571 0.0000 0.0000 52148.4455 -109443.2949 299.6978 -161591.7404 -109084.3515 299.6072 -123.6306 -91.9092 760896.8697 -17.0515 -17.1840 PRESSURE: 4839000 -218.397 111.072 130.025 111.072 -233.264 15.3092 130.025 15.31 -108.769 GPRESSURE: 4839000 -210.435 34.7294 74.5238 191.455 -170.336 -104.589 87.8797 90.2169 -89.7847 PRESSAVG: 4839000 -66.1231 -32.858 4.3191 -32.8579 3.67803 -0.888357 4.31913 -0.888343 -29.6912 GPRESSAVG: 4839000 -64.8176 -34.0616 3.89416 -34.3324 3.46751 -0.617653 3.76306 -1.17765 -30.692 TIMING: 4839000 CPU: 15380.2, 0.00318398/step Wall: 15380.2, 0.00318399/step, 0.142395 hours remaining, 237.437500 MB of memory in use. ENERGY: 4839000 3982.6083 20636.4302 14458.1149 243.6331 -203421.5444 2536.9746 0.0000 0.0000 52229.4830 -109334.3002 300.1636 -161563.7833 -108975.1260 299.6237 -186.8100 -156.8520 761459.9679 -30.7121 -30.6807 PRESSURE: 4839200 -484.047 -259.414 283.046 -259.415 -64.3415 129.352 283.045 129.353 206.41 GPRESSURE: 4839200 -481.493 -208.904 239.385 -269.977 -13.8034 39.4979 266.368 87.9238 226.927 PRESSAVG: 4839200 -27.5322 -110.062 -28.8424 -110.062 80.1153 -31.3927 -28.8424 -31.3927 17.9939 GPRESSAVG: 4839200 -28.0138 -108.745 -29.2821 -109.92 80.2026 -34.8319 -28.7867 -30.8622 18.3386 TIMING: 4839200 CPU: 15380.8, 0.0031795/step Wall: 15380.8, 0.0031795/step, 0.142018 hours remaining, 237.437500 MB of memory in use. ENERGY: 4839200 4006.5423 20542.7894 14417.8738 249.6425 -203067.9505 2436.7126 0.0000 0.0000 52101.2703 -109313.1196 299.4267 -161414.3899 -108941.6113 299.7475 -113.9930 -89.4565 759778.4962 23.5257 23.5091 PRESSURE: 4839400 124.352 29.4427 16.7688 29.4436 -100.201 -54.6704 16.7687 -54.6715 -70.3789 GPRESSURE: 4839400 116.134 169.953 21.4141 38.1915 -116.874 -121.282 -191.143 106.455 18.474 PRESSAVG: 4839400 -19.566 -26.5752 -24.6591 -26.5752 55.6183 33.2462 -24.659 33.2461 10.4157 GPRESSAVG: 4839400 -21.9186 -28.7652 -25.6942 -25.9243 56.5303 33.9218 -24.6663 34.5822 11.5795 TIMING: 4839400 CPU: 15381.5, 0.00318742/step Wall: 15381.5, 0.00318742/step, 0.142194 hours remaining, 237.437500 MB of memory in use. ENERGY: 4839400 4028.9781 20399.5394 14448.4152 247.8740 -202957.8387 2202.3985 0.0000 0.0000 52180.6325 -109450.0010 299.8828 -161630.6335 -109075.1542 299.5683 -15.4091 5.9113 759908.2210 15.4893 15.3971 PRESSURE: 4839600 -317.059 -251.553 -27.5409 -251.553 -200.734 -146.337 -27.5405 -146.338 -53.6501 GPRESSURE: 4839600 -260.915 -276.978 96.4477 -265.682 -239.671 -102.336 -52.121 -181.687 12.9775 PRESSAVG: 4839600 40.3862 -67.5581 -96.2283 -67.5581 -35.0029 10.0045 -96.2283 10.0045 9.94403 GPRESSAVG: 4839600 42.359 -66.2888 -94.0845 -68.0235 -35.2306 13.4147 -93.2173 8.71683 8.68482 TIMING: 4839600 CPU: 15382.1, 0.00319846/step Wall: 15382.1, 0.00319846/step, 0.142509 hours remaining, 237.437500 MB of memory in use. ENERGY: 4839600 4043.3499 20474.4433 14423.7988 247.6866 -202812.3265 2283.7998 0.0000 0.0000 51840.5282 -109498.7199 297.9282 -161339.2481 -109150.8581 299.0814 -190.4809 -162.5361 762637.1891 5.1091 5.2711 PRESSURE: 4839800 -152.512 92.1149 -68.6706 92.1153 270.739 -46.4195 -68.6701 -46.4195 -59.1116 GPRESSURE: 4839800 -55.7582 15.8204 -47.5421 145.688 292.952 35.593 -47.1251 85.0922 -75.2728 PRESSAVG: 4839800 36.4203 -25.7111 10.8979 -25.7112 -6.3463 13.061 10.898 13.061 28.7181 GPRESSAVG: 4839800 35.3638 -24.7643 9.61516 -24.4118 -6.5758 11.0904 10.4564 15.1926 29.935 TIMING: 4839800 CPU: 15382.8, 0.00320155/step Wall: 15382.8, 0.00320155/step, 0.142469 hours remaining, 237.437500 MB of memory in use. ENERGY: 4839800 4006.9783 20438.7625 14470.0142 230.3151 -203730.1389 2796.9673 0.0000 0.0000 52247.9815 -109539.1200 300.2699 -161787.1014 -109172.2479 299.1941 19.7053 53.9737 762644.0333 19.5974 19.5743 PRESSURE: 4840000 -119.716 84.4905 158.549 84.4907 -217.165 -131.924 158.549 -131.924 -113.916 GPRESSURE: 4840000 -57.9196 -8.87765 107.457 130.78 -209.509 -234.102 270.625 -104.469 -90.2202 PRESSAVG: 4840000 32.6516 -35.6087 48.7539 -35.6087 -9.56752 15.9048 48.7539 15.9048 15.3262 GPRESSAVG: 4840000 34.031 -39.1623 49.9089 -35.8635 -11.4345 15.8293 45.8207 12.7383 15.4614 TIMING: 4840000 CPU: 15383.4, 0.00322317/step Wall: 15383.4, 0.00322317/step, 0.143252 hours remaining, 237.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4840000 4000.4586 20522.4998 14465.3385 253.9832 -203294.3345 2625.7653 0.0000 0.0000 51908.1867 -109518.1024 298.3171 -161426.2891 -109146.5832 299.3239 -150.2659 -119.2162 760916.0650 12.8034 12.6859 PRESSURE: 4840200 -53.6763 -53.5078 -197.012 -53.507 27.2822 174.237 -197.012 174.237 484.443 GPRESSURE: 4840200 42.949 -113.525 -216.398 -150.015 48.1969 206.324 -172.179 190.798 443.156 PRESSAVG: 4840200 23.3065 -46.3621 6.52311 -46.3621 -3.88891 47.7712 6.52315 47.7713 2.19153 GPRESSAVG: 4840200 23.2787 -44.1468 4.70494 -47.5812 -2.36388 47.92 7.67456 48.3301 0.892289 TIMING: 4840200 CPU: 15384, 0.0031892/step Wall: 15384, 0.0031892/step, 0.141565 hours remaining, 237.437500 MB of memory in use. ENERGY: 4840200 3925.0364 20415.6341 14460.1084 253.7211 -203061.0919 2316.3601 0.0000 0.0000 52230.8978 -109459.3341 300.1717 -161690.2319 -109101.1720 299.5985 152.6828 178.1007 761821.1988 7.2030 7.2690 LDB: ============= START OF LOAD BALANCING ============== 15396.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15396.4 LDB: =============== DONE WITH MIGRATION ================ 15396.4 LDB: ============= START OF LOAD BALANCING ============== 15396.8 LDB: Largest compute 7025 load 0.035874 is 18.3% of average load 0.195985 LDB: Average compute 0.004425 is 2.3% of average load 0.195985 LDB: TIME 15396.8 LOAD: AVG 0.195985 MAX 0.218213 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 15396.8 LOAD: AVG 0.195985 MAX 0.218213 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.633 MB LDB: TIME 15396.8 LOAD: AVG 0.195985 MAX 0.218213 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15396.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15396.8 PRESSURE: 4840400 79.256 91.876 4.92572 91.8756 115.353 -174.99 4.92545 -174.991 -187.323 GPRESSURE: 4840400 129.322 116.887 -25.2315 -18.6126 147.303 -155.057 -3.10729 -106.356 -180.986 PRESSAVG: 4840400 12.3341 30.8311 -16.3905 30.8311 -37.4108 31.4592 -16.3905 31.4591 -23.9132 GPRESSAVG: 4840400 12.1323 30.2225 -13.6149 30.8639 -37.8049 31.3907 -18.8456 33.2939 -23.2742 TIMING: 4840400 CPU: 15384.7, 0.0032583/step Wall: 15384.7, 0.0032583/step, 0.144451 hours remaining, 238.460938 MB of memory in use. ENERGY: 4840400 4016.1374 20464.3841 14441.4708 248.3940 -203454.9493 2739.9874 0.0000 0.0000 52249.6647 -109294.9109 300.2795 -161544.5756 -108930.7394 298.8312 2.4287 31.8798 761079.5826 -16.3300 -16.3156 PRESSURE: 4840600 255.121 71.8929 -22.5394 71.8932 -200.781 215.046 -22.5391 215.046 92.5006 GPRESSURE: 4840600 326.289 -51.1707 -34.5282 21.2577 -170.303 266.024 16.7316 234.71 89.0335 PRESSAVG: 4840600 23.4344 -21.056 -19.4931 -21.056 -8.7333 2.40275 -19.4931 2.40271 6.47166 GPRESSAVG: 4840600 24.4186 -22.2093 -19.992 -20.9269 -9.48064 3.24298 -16.0572 1.47157 6.28544 TIMING: 4840600 CPU: 15385.3, 0.00320994/step Wall: 15385.3, 0.00320994/step, 0.142129 hours remaining, 238.664062 MB of memory in use. ENERGY: 4840600 4055.1792 20624.4447 14471.3085 250.5233 -203136.5725 2652.4545 0.0000 0.0000 51937.7878 -109144.8744 298.4872 -161082.6623 -108786.2562 299.6257 48.9468 81.6730 761445.7843 7.0576 7.0745 PRESSURE: 4840800 57.3776 111.748 143.106 111.747 271.343 -153.797 143.106 -153.797 275.003 GPRESSURE: 4840800 105.001 56.8436 217.807 85.0246 303.235 -116.674 139.912 -89.6006 258.548 PRESSAVG: 4840800 10.1697 41.0992 -4.96456 41.0991 52.6663 -5.47124 -4.96449 -5.47132 5.9131 GPRESSAVG: 4840800 9.76874 43.1802 -6.02047 41.5325 53.3187 -7.15093 -6.77203 -2.94835 5.46552 TIMING: 4840800 CPU: 15386, 0.00320045/step Wall: 15386, 0.00320045/step, 0.141531 hours remaining, 238.664062 MB of memory in use. ENERGY: 4840800 4045.8808 20678.7406 14392.0379 246.1080 -203333.6726 2778.2734 0.0000 0.0000 52220.3506 -108972.2814 300.1111 -161192.6320 -108602.4442 300.6485 201.2411 222.2613 761637.2346 22.9164 22.8510 PRESSURE: 4841000 -329.568 -36.9359 59.9485 -36.9365 -276.464 115.419 59.9486 115.421 63.4692 GPRESSURE: 4841000 -319.601 -2.47063 78.3827 -43.6938 -240.354 98.4668 -32.2096 199.237 105.582 PRESSAVG: 4841000 39.6296 -28.7963 83.8579 -28.7963 3.76331 -27.6731 83.8579 -27.6732 25.874 GPRESSAVG: 4841000 37.885 -27.6943 84.4237 -28.7074 4.66265 -25.8202 81.2805 -29.4945 27.0409 TIMING: 4841000 CPU: 15386.6, 0.00321223/step Wall: 15386.6, 0.00321223/step, 0.141874 hours remaining, 238.664062 MB of memory in use. ENERGY: 4841000 4074.9916 20590.6827 14409.2517 244.5440 -202972.1551 2468.5132 0.0000 0.0000 52016.4852 -109167.6867 298.9395 -161184.1719 -108807.0984 300.3068 -180.8544 -151.4577 761816.8850 23.0890 23.1962 PRESSURE: 4841200 -402.782 17.2072 -50.403 17.2069 62.7334 199.929 -50.4031 199.929 -109.515 GPRESSURE: 4841200 -365.165 -9.94504 -92.6046 29.7876 120.95 187.426 -20.5257 106.096 -131.055 PRESSAVG: 4841200 11.5119 16.4792 -45.4512 16.4792 50.4669 -24.2245 -45.4512 -24.2245 -1.75951 GPRESSAVG: 4841200 13.7164 14.9959 -47.1717 17.6375 49.2815 -24.5167 -40.1979 -23.0953 -2.6567 TIMING: 4841200 CPU: 15387.3, 0.00323974/step Wall: 15387.3, 0.00323974/step, 0.142908 hours remaining, 238.664062 MB of memory in use. ENERGY: 4841200 3965.3740 20693.4635 14505.7743 245.3312 -203110.3512 2434.4470 0.0000 0.0000 51925.8073 -109340.1538 298.4183 -161265.9611 -108985.1349 299.4563 -149.8545 -125.0901 760605.8242 20.0731 20.1137 PRESSURE: 4841400 63.1529 -112.914 -305.996 -112.914 51.301 -195.402 -305.996 -195.402 105.494 GPRESSURE: 4841400 77.8942 -243.402 -274.197 -83.407 88.8419 -183.641 -173.818 -102.269 148.747 PRESSAVG: 4841400 -38.3631 15.3014 17.9494 15.3014 42.7112 -16.357 17.9494 -16.357 -6.70249 GPRESSAVG: 4841400 -38.8495 16.3163 18.6341 13.5813 42.2387 -15.8642 15.1049 -18.256 -5.7935 TIMING: 4841400 CPU: 15387.9, 0.00322903/step Wall: 15387.9, 0.00322903/step, 0.142257 hours remaining, 238.664062 MB of memory in use. ENERGY: 4841400 3968.1245 20542.8697 14428.0785 248.8878 -202990.5784 2430.8075 0.0000 0.0000 51904.1658 -109467.6447 298.2940 -161371.8104 -109106.1871 299.2728 73.3159 105.1612 760212.3924 -0.7848 -0.8014 PRESSURE: 4841600 197.051 16.3091 -195.684 16.3093 318.682 -90.3169 -195.683 -90.3171 418.63 GPRESSURE: 4841600 228.468 74.9011 -111.787 38.7001 309.767 -67.8514 -62.0231 -41.6617 495.349 PRESSAVG: 4841600 14.9653 -19.6761 -14.7076 -19.6762 -21.2047 -28.9624 -14.7075 -28.9623 4.59808 GPRESSAVG: 4841600 14.626 -18.127 -13.2566 -20.205 -20.2553 -29.1656 -14.8185 -26.1147 3.71446 TIMING: 4841600 CPU: 15388.5, 0.00320398/step Wall: 15388.5, 0.00320398/step, 0.140975 hours remaining, 238.664062 MB of memory in use. ENERGY: 4841600 3959.8231 20437.7054 14481.7740 249.8649 -203363.2613 2790.2869 0.0000 0.0000 52094.6841 -109349.1229 299.3889 -161443.8070 -108992.3412 299.5129 311.4545 344.5278 759745.9341 -0.5471 -0.6383 PRESSURE: 4841800 -157.19 214.074 155.531 214.074 -18.1438 -45.7252 155.532 -45.726 25.2501 GPRESSURE: 4841800 -43.7481 104.728 80.0322 170.636 26.1739 -145.33 -45.5236 18.9115 -21.1209 PRESSAVG: 4841800 -13.7354 8.76674 -56.6168 8.76672 -18.2669 14.3647 -56.6168 14.3647 2.33527 GPRESSAVG: 4841800 -12.7525 7.73442 -57.3459 9.81475 -19.5855 14.0988 -56.091 12.4583 1.98946 TIMING: 4841800 CPU: 15389.2, 0.00320362/step Wall: 15389.2, 0.00320362/step, 0.140781 hours remaining, 238.664062 MB of memory in use. ENERGY: 4841800 3994.8647 20427.7819 14460.9128 259.8386 -202703.6751 2279.4580 0.0000 0.0000 51925.9348 -109354.8843 298.4191 -161280.8191 -108991.2401 299.2230 -50.0280 -12.8984 760796.5534 -9.8890 -10.1162 PRESSURE: 4842000 142.032 90.949 37.3584 90.9488 -222.784 -155.644 37.3583 -155.644 -11.4963 GPRESSURE: 4842000 110.546 172.934 126.046 174.54 -155.215 -62.8568 -90.8884 -58.9354 29.4732 PRESSAVG: 4842000 31.7763 11.834 -22.1695 11.8341 5.3056 16.9712 -22.1695 16.9713 -6.59802 GPRESSAVG: 4842000 31.2631 10.1299 -21.9172 12.1264 6.03923 16.4355 -23.2683 16.7106 -6.59087 TIMING: 4842000 CPU: 15389.8, 0.00320579/step Wall: 15389.8, 0.00320579/step, 0.140699 hours remaining, 238.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4842000 4015.8748 20481.3525 14476.3445 237.5750 -202855.4286 2410.6834 0.0000 0.0000 52147.2528 -109086.3456 299.6910 -161233.5984 -108721.5836 299.8074 -30.7496 -5.0652 760729.0374 10.1613 10.2372 PRESSURE: 4842200 129 34.8754 -287.543 34.8742 4.08657 -7.54491 -287.542 -7.54348 123.986 GPRESSURE: 4842200 228.73 36.3275 -314.099 154.005 1.01733 42.2603 -68.0868 39.1957 116.593 PRESSAVG: 4842200 38.2224 11.6949 -27.6447 11.6949 -26.4109 -27.6602 -27.6448 -27.6603 19.2175 GPRESSAVG: 4842200 38.6056 11.5254 -29.2473 12.8659 -27.1748 -27.5217 -23.3481 -26.0643 19.8013 TIMING: 4842200 CPU: 15390.5, 0.00320155/step Wall: 15390.5, 0.00320155/step, 0.140335 hours remaining, 238.664062 MB of memory in use. ENERGY: 4842200 3950.8081 20565.8569 14489.5839 245.6378 -203029.3136 2511.9114 0.0000 0.0000 52136.2657 -109129.2496 299.6278 -161265.5154 -108748.9488 300.8274 85.6909 115.4468 761545.9976 10.3430 10.4107 PRESSURE: 4842400 42.5663 164.218 -115.154 164.217 -21.5623 -42.6568 -115.154 -42.6564 9.80139 GPRESSURE: 4842400 62.3223 107.082 -182.091 -44.8266 31.4227 -58.8655 -44.3764 -126.245 13.0345 PRESSAVG: 4842400 -10.5785 -29.0799 -42.5477 -29.08 -13.4779 5.09051 -42.5477 5.09051 -1.52423 GPRESSAVG: 4842400 -10.3886 -28.0272 -42.4618 -30.8431 -13.4274 5.0049 -44.6371 2.44313 -2.21637 TIMING: 4842400 CPU: 15391.1, 0.00320911/step Wall: 15391.1, 0.00320911/step, 0.140488 hours remaining, 238.664062 MB of memory in use. ENERGY: 4842400 3958.0201 20725.9099 14448.0536 248.5817 -203364.8045 2466.0989 0.0000 0.0000 52472.9991 -109045.1412 301.5630 -161518.1403 -108682.5415 300.5924 10.2685 35.5931 760231.1479 -8.5269 -8.6775 PRESSURE: 4842600 46.4965 -380.921 191.663 -380.92 -407.747 48.9695 191.663 48.969 -574.873 GPRESSURE: 4842600 49.6094 -249.292 183.076 -287.132 -357.213 19.7346 211.494 104.155 -531.213 PRESSAVG: 4842600 8.43065 -54.7886 -16.4775 -54.7886 7.47093 18.0105 -16.4775 18.0105 12.5224 GPRESSAVG: 4842600 8.21425 -54.8333 -14.8011 -52.7023 7.17878 17.0258 -18.042 18.7079 12.9324 TIMING: 4842600 CPU: 15391.7, 0.00319007/step Wall: 15391.7, 0.00319007/step, 0.139477 hours remaining, 238.664062 MB of memory in use. ENERGY: 4842600 4048.9097 20648.3498 14475.8830 261.4746 -202716.7717 2291.5990 0.0000 0.0000 51965.3905 -109025.1653 298.6458 -160990.5557 -108662.2881 300.5092 -312.0412 -279.6056 762825.6461 9.4747 9.4418 PRESSURE: 4842800 -243.759 -28.5564 201.009 -28.5557 -328.52 -103.836 201.01 -103.836 -158.686 GPRESSURE: 4842800 -100.77 42.0556 185.659 12.2615 -341.699 -64.4537 80.9624 -167.427 -194.707 PRESSAVG: 4842800 -33.1628 -8.73053 30.6377 -8.73051 0.489228 -18.2965 30.6376 -18.2966 -7.064 GPRESSAVG: 4842800 -33.7153 -7.56817 29.9057 -9.90022 1.72368 -16.3273 31.7726 -20.187 -7.47714 TIMING: 4842800 CPU: 15392.4, 0.00321469/step Wall: 15392.4, 0.00321469/step, 0.140375 hours remaining, 238.664062 MB of memory in use. ENERGY: 4842800 3919.3221 20572.8508 14521.5711 257.5877 -202897.5632 2324.1705 0.0000 0.0000 52004.1629 -109297.8981 298.8686 -161302.0609 -108935.3939 299.7922 -243.6550 -212.3921 763128.3404 -13.2458 -13.1562 PRESSURE: 4843000 236.436 228.758 -62.2948 228.759 146.348 -12.632 -62.2946 -12.6314 332.535 GPRESSURE: 4843000 263.857 167.618 -105.523 153.512 148.605 25.5792 -38.1217 68.0787 385.477 PRESSAVG: 4843000 -13.2156 -10.3509 -30.7693 -10.3509 -3.81338 -35.2986 -30.7692 -35.2986 1.22231 GPRESSAVG: 4843000 -13.7617 -11.9405 -30.502 -11.3072 -4.87852 -36.8659 -32.383 -32.5909 2.59356 TIMING: 4843000 CPU: 15393, 0.00320236/step Wall: 15393, 0.00320236/step, 0.139658 hours remaining, 238.664062 MB of memory in use. ENERGY: 4843000 3917.0517 20719.4898 14490.0977 223.5523 -203030.4898 2499.9634 0.0000 0.0000 51830.4916 -109349.8434 297.8705 -161180.3349 -108995.3528 299.5161 238.4398 265.9797 762711.9029 -5.2689 -5.3489 PRESSURE: 4843200 -203.843 -50.8954 -107.415 -50.8949 -367.433 298.195 -107.414 298.196 -106.983 GPRESSURE: 4843200 -138.186 -35.2873 -135.231 -65.9476 -274.114 425.445 9.54881 234.231 -177.879 PRESSAVG: 4843200 23.8935 -52.4166 -19.26 -52.4166 -24.5794 19.7368 -19.26 19.7369 -5.2952 GPRESSAVG: 4843200 25.5147 -51.1992 -19.5326 -51.8728 -24.4993 21.7041 -18.5133 17.1014 -7.24534 TIMING: 4843200 CPU: 15393.7, 0.00321217/step Wall: 15393.7, 0.00321217/step, 0.139908 hours remaining, 238.664062 MB of memory in use. ENERGY: 4843200 3933.9511 20575.2763 14449.0421 230.0662 -203231.7544 2260.7241 0.0000 0.0000 52324.0164 -109458.6782 300.7068 -161782.6946 -109078.5245 299.5591 -226.0864 -196.7262 762382.5170 -1.9937 -2.0766 PRESSURE: 4843400 -85.2163 94.0976 59.1237 94.0973 -237.167 -74.3964 59.1231 -74.3965 -228.639 GPRESSURE: 4843400 -70.2257 72.3055 55.086 70.1616 -166.079 -27.7884 -71.0271 -145.81 -219.97 PRESSAVG: 4843400 53.3858 -73.4763 -8.1504 -73.4764 -30.8415 -34.7902 -8.1504 -34.7902 -2.14749 GPRESSAVG: 4843400 52.9985 -75.6027 -8.00117 -72.2932 -30.6177 -36.0491 -7.28467 -32.8203 -1.54905 TIMING: 4843400 CPU: 15394.3, 0.00320073/step Wall: 15394.3, 0.00320073/step, 0.139232 hours remaining, 238.664062 MB of memory in use. ENERGY: 4843400 3991.0963 20499.3788 14432.1233 268.0004 -202740.0800 2263.7963 0.0000 0.0000 51891.8469 -109393.8380 298.2232 -161285.6849 -109034.1090 298.7194 -183.6740 -152.0915 760353.4869 6.7989 6.9439 PRESSURE: 4843600 -178.204 154.489 15.8054 154.488 383.035 112.811 15.8064 112.81 178.411 GPRESSURE: 4843600 -73.9397 164.882 -23.2703 161.424 382.319 20.1302 101.091 64.5047 168.67 PRESSAVG: 4843600 17.145 23.1228 -28.473 23.1228 -6.43077 -33.6294 -28.473 -33.6294 22.6887 GPRESSAVG: 4843600 17.134 23.5188 -29.9849 21.5262 -6.61171 -35.5271 -26.7533 -33.1041 22.2679 TIMING: 4843600 CPU: 15395, 0.00320481/step Wall: 15395, 0.00320481/step, 0.139231 hours remaining, 238.664062 MB of memory in use. ENERGY: 4843600 3963.4131 20580.3155 14518.4899 244.6809 -203264.3020 2667.5941 0.0000 0.0000 51894.9069 -109394.9015 298.2407 -161289.8084 -109041.2629 298.7285 127.7471 159.0162 759256.4239 11.1343 10.9301 PRESSURE: 4843800 165.525 -123.406 117.967 -123.405 -14.0937 13.7802 117.968 13.78 24.5476 GPRESSURE: 4843800 237.762 -13.565 203.041 -148.297 29.5099 47.4702 101.795 99.6601 -24.4244 PRESSAVG: 4843800 35.5474 8.09085 7.45894 8.09079 -51.375 48.1132 7.45893 48.1131 3.08817 GPRESSAVG: 4843800 35.2889 8.93574 10.4755 8.22118 -49.9731 49.171 5.24677 47.356 2.0647 TIMING: 4843800 CPU: 15395.6, 0.0032095/step Wall: 15395.6, 0.0032095/step, 0.139257 hours remaining, 238.664062 MB of memory in use. ENERGY: 4843800 3964.7034 20514.9194 14440.2077 252.6961 -203071.6749 2303.3909 0.0000 0.0000 52194.1262 -109401.6311 299.9604 -161595.7573 -109032.8719 299.5093 58.6597 80.9492 760003.9192 -4.2465 -4.2065 PRESSURE: 4844000 121.05 75.8641 -184.122 75.8636 -132.232 -182.407 -184.122 -182.407 61.4094 GPRESSURE: 4844000 104.566 8.74134 -145.434 -8.76564 -105.927 -85.5423 -134.858 -161.713 127.112 PRESSAVG: 4844000 9.383 -20.5751 5.58717 -20.5751 -12.9761 -9.33001 5.58711 -9.33006 -7.75744 GPRESSAVG: 4844000 9.29413 -22.1246 4.00804 -20.2663 -13.882 -8.87202 6.5086 -10.9476 -6.72429 TIMING: 4844000 CPU: 15396.2, 0.00317682/step Wall: 15396.2, 0.00317682/step, 0.137662 hours remaining, 238.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4844000 3989.7495 20441.2673 14410.6221 247.3928 -202789.4027 2209.4922 0.0000 0.0000 52116.0111 -109374.8676 299.5114 -161490.8788 -109001.0929 299.4996 16.7422 41.9170 759070.4179 -3.7835 -3.7707 PRESSURE: 4844200 152.889 -158.5 -90.5152 -158.5 -45.8685 178.338 -90.5158 178.337 -147.388 GPRESSURE: 4844200 176.734 -98.6098 -98.4819 -86.747 -22.7368 208.527 -4.34119 63.8468 -77.5433 PRESSAVG: 4844200 47.219 -36.6831 -9.9025 -36.6831 -29.1586 42.6744 -9.90248 42.6743 13.8059 GPRESSAVG: 4844200 46.467 -35.5111 -9.31525 -36.6593 -29.9016 41.8612 -11.2389 45.4657 15.4157 TIMING: 4844200 CPU: 15396.9, 0.00318465/step Wall: 15396.9, 0.00318465/step, 0.137825 hours remaining, 238.664062 MB of memory in use. ENERGY: 4844200 4033.6551 20416.4767 14486.1873 254.4160 -202852.1235 2579.9044 0.0000 0.0000 51858.8686 -109222.6154 298.0336 -161081.4840 -108860.2887 299.3595 -13.4557 25.4845 760341.2070 10.6221 10.6604 LDB: ============= START OF LOAD BALANCING ============== 15409.3 LDB: ============== END OF LOAD BALANCING =============== 15409.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15409.3 LDB: ============= START OF LOAD BALANCING ============== 15409.6 LDB: Largest compute 7025 load 0.037481 is 19.1% of average load 0.196012 LDB: Average compute 0.004403 is 2.2% of average load 0.196012 LDB: TIME 15409.6 LOAD: AVG 0.196012 MAX 0.219659 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.957 MB LDB: TIME 15409.6 LOAD: AVG 0.196012 MAX 0.219659 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: TIME 15409.6 LOAD: AVG 0.196012 MAX 0.219659 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15409.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15409.6 PRESSURE: 4844400 -392.892 60.933 76.1605 60.9324 152.945 -52.1531 76.1597 -52.1521 -0.579594 GPRESSURE: 4844400 -280.095 29.3558 122.564 96.4065 128.269 -26.3931 40.3302 -135.953 18.4643 PRESSAVG: 4844400 29.7948 -13.9204 -1.69722 -13.9205 2.98987 2.06574 -1.69724 2.06581 -0.348618 GPRESSAVG: 4844400 30.993 -14.3497 -1.69375 -12.5082 3.07866 1.96688 -2.37118 1.33218 -1.79542 TIMING: 4844400 CPU: 15397.5, 0.00325213/step Wall: 15397.5, 0.00325213/step, 0.140564 hours remaining, 238.921875 MB of memory in use. ENERGY: 4844400 4020.4745 20539.7076 14453.9641 250.8593 -203285.4272 2410.2157 0.0000 0.0000 52159.6256 -109450.5804 299.7621 -161610.2060 -109070.7451 299.6111 -80.1752 -44.4537 760629.8235 10.8120 10.7587 PRESSURE: 4844600 491.884 58.7583 -223.213 58.7594 -455.718 -25.168 -223.212 -25.1681 -250.424 GPRESSURE: 4844600 503.367 -69.236 -182.908 97.5662 -410.665 -79.7077 -207.084 -8.7756 -217.36 PRESSAVG: 4844600 -7.00062 -32.1002 19.3313 -32.1001 8.89677 -43.6857 19.3313 -43.6857 -0.794656 GPRESSAVG: 4844600 -7.51483 -31.2427 18.155 -34.485 8.94424 -44.1589 22.418 -42.3004 -0.205516 TIMING: 4844600 CPU: 15398.2, 0.00316768/step Wall: 15398.2, 0.00316768/step, 0.136738 hours remaining, 239.382812 MB of memory in use. ENERGY: 4844600 4022.4503 20484.0040 14457.7866 259.5143 -203276.0587 2506.0087 0.0000 0.0000 51879.0198 -109667.2752 298.1494 -161546.2949 -109310.2555 299.6390 -71.4197 -41.5527 760226.5181 0.3672 0.4080 PRESSURE: 4844800 -159.216 -74.0957 -236.008 -74.0956 -46.2516 -161.594 -236.009 -161.594 -315.554 GPRESSURE: 4844800 -133.235 -96.7876 -289.123 -20.8589 -18.2809 -166.995 -263.835 -294.127 -281.926 PRESSAVG: 4844800 67.713 -77.5624 41.6668 -77.5624 -115.269 -2.11444 41.6669 -2.11454 -3.86118 GPRESSAVG: 4844800 68.6769 -77.923 42.7137 -77.4976 -114.989 -0.498426 42.227 -5.08558 -5.3154 TIMING: 4844800 CPU: 15398.8, 0.00318801/step Wall: 15398.8, 0.00318801/step, 0.137439 hours remaining, 239.382812 MB of memory in use. ENERGY: 4844800 4018.3147 20656.6590 14470.4454 252.3708 -203470.2801 2155.1602 0.0000 0.0000 52182.4225 -109734.9075 299.8931 -161917.3300 -109382.9860 298.8080 -173.6739 -144.4807 758426.0777 -17.1390 -17.2092 PRESSURE: 4845000 -149.831 108.997 133.13 108.997 -135.187 35.7889 133.13 35.7877 -152.092 GPRESSURE: 4845000 -145.856 134.856 214.926 120.091 -82.7334 75.0683 47.8027 40.5349 -121.511 PRESSAVG: 4845000 -17.9355 -43.9892 1.81347 -43.9892 -3.61894 -26.1512 1.8135 -26.1512 -22.9547 GPRESSAVG: 4845000 -19.3913 -44.0971 1.82694 -44.3218 -3.84512 -25.6044 -1.28885 -26.0659 -20.9766 TIMING: 4845000 CPU: 15399.4, 0.0031978/step Wall: 15399.4, 0.0031978/step, 0.137683 hours remaining, 239.382812 MB of memory in use. ENERGY: 4845000 4025.1014 20446.2084 14498.2118 243.4036 -203524.9124 2564.1830 0.0000 0.0000 51783.3979 -109964.4063 297.5999 -161747.8042 -109610.5479 298.4081 -145.7034 -116.7003 760452.3194 -14.8364 -14.7377 PRESSURE: 4845200 466.566 10.2125 18.4616 10.2132 -53.5368 52.0956 18.4612 52.096 471.152 GPRESSURE: 4845200 509.175 4.23883 31.4248 4.83873 9.83054 85.1368 54.5442 138.35 460.512 PRESSAVG: 4845200 41.1909 -30.0111 37.2334 -30.0111 -28.5682 34.8543 37.2333 34.8543 -3.97027 GPRESSAVG: 4845200 41.8188 -29.0712 37.903 -27.5388 -27.9385 34.9848 38.8187 35.5675 -4.7631 TIMING: 4845200 CPU: 15400.1, 0.00322674/step Wall: 15400.1, 0.00322674/step, 0.13875 hours remaining, 239.382812 MB of memory in use. ENERGY: 4845200 3924.7516 20632.3805 14512.9587 247.5658 -203814.2832 2720.4095 0.0000 0.0000 51911.8649 -109864.3521 298.3382 -161776.2170 -109511.1186 298.1698 294.7272 326.5056 758449.3788 2.8842 3.0391 PRESSURE: 4845400 261.3 44.3721 -57.5197 44.372 -144.522 62.9999 -57.5199 63.0004 473.543 GPRESSURE: 4845400 300.227 -35.0765 -41.6897 96.1149 -44.5337 8.96791 -56.4574 33.0839 404.103 PRESSAVG: 4845400 13.4791 21.6061 10.8335 21.6061 -25.4349 -29.0229 10.8334 -29.0228 13.6612 GPRESSAVG: 4845400 13.1051 20.8995 10.8229 21.9856 -25.997 -29.0015 9.63363 -28.4383 13.8669 TIMING: 4845400 CPU: 15400.7, 0.00320909/step Wall: 15400.7, 0.00320909/step, 0.137812 hours remaining, 239.382812 MB of memory in use. ENERGY: 4845400 3910.4535 20460.2025 14420.0960 232.9400 -203586.8961 2538.3610 0.0000 0.0000 52040.3792 -109984.4638 299.0768 -162024.8430 -109630.4831 298.6090 196.7735 219.9322 759629.5867 0.5685 0.3250 PRESSURE: 4845600 77.4988 -195.959 -4.56118 -195.959 -406.284 45.945 -4.5606 45.9448 -513.005 GPRESSURE: 4845600 -0.539648 -212.938 -41.5577 -166.897 -291.427 25.3943 -0.945233 7.45025 -448.73 PRESSAVG: 4845600 48.9337 -10.8696 -22.139 -10.8696 -46.3133 3.65331 -22.1391 3.65328 -25.2272 GPRESSAVG: 4845600 47.679 -9.00293 -21.63 -12.2687 -46.8442 2.17709 -21.3215 4.49748 -24.2987 TIMING: 4845600 CPU: 15401.4, 0.00321756/step Wall: 15401.4, 0.00321756/step, 0.137998 hours remaining, 239.382812 MB of memory in use. ENERGY: 4845600 3979.8249 20264.1569 14484.4512 240.4066 -203715.1056 2448.4413 0.0000 0.0000 52365.2197 -109932.6050 300.9436 -162297.8246 -109555.0007 298.8238 -280.5968 -246.8989 758717.5837 -7.5356 -7.8213 PRESSURE: 4845800 60.3547 -123.31 -269.278 -123.311 94.2585 -198.995 -269.278 -198.995 -194.029 GPRESSURE: 4845800 78.3674 -106.883 -269.979 -186.691 161.5 -76.8156 -227.257 -187.353 -195.051 PRESSAVG: 4845800 55.8263 -54.318 7.09939 -54.318 -41.2823 -8.03824 7.09936 -8.03831 -2.04135 GPRESSAVG: 4845800 56.3294 -55.8052 6.21171 -52.9582 -40.8448 -7.94032 5.75394 -9.41624 -2.88824 TIMING: 4845800 CPU: 15402, 0.00319207/step Wall: 15402, 0.00319207/step, 0.136727 hours remaining, 239.382812 MB of memory in use. ENERGY: 4845800 3979.5660 20475.7800 14502.1794 276.1882 -203159.3591 2297.2865 0.0000 0.0000 51993.7482 -109634.6110 298.8088 -161628.3592 -109277.3153 298.9631 -13.1387 14.9388 760672.3596 4.1675 4.1988 PRESSURE: 4846000 -451.311 -195.814 -143.515 -195.814 -43.1772 1.1275 -143.515 1.12725 -313.98 GPRESSURE: 4846000 -407.06 -128.073 -218.781 -187.333 36.5151 -21.1861 -51.5637 -71.3451 -339.756 PRESSAVG: 4846000 -28.0707 -19.6913 -23.1143 -19.6912 24.175 -8.19216 -23.1143 -8.19215 2.62544 GPRESSAVG: 4846000 -27.8926 -20.4945 -23.9981 -21.1463 23.9867 -8.92744 -20.9139 -7.16569 2.61321 TIMING: 4846000 CPU: 15402.6, 0.00320272/step Wall: 15402.6, 0.00320272/step, 0.137005 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4846000 4091.0176 20691.7369 14447.2037 240.8322 -203637.6698 2641.8517 0.0000 0.0000 51954.2163 -109570.8114 298.5816 -161525.0277 -109219.9105 299.5489 -269.4893 -236.7671 759892.2561 -0.4234 -0.4309 PRESSURE: 4846200 -79.1785 -283.678 -15.7497 -283.679 101.56 -22.4964 -15.749 -22.4969 -47.8583 GPRESSURE: 4846200 6.32291 -203.418 -88.0596 -304.574 115.248 -12.6239 -162.753 99.2272 -57.8308 PRESSAVG: 4846200 7.6209 -52.6671 -49.5312 -52.6671 14.6226 59.4795 -49.5311 59.4795 -8.60199 GPRESSAVG: 4846200 7.53226 -51.1346 -49.2799 -52.0479 15.4348 59.6896 -51.0194 61.3096 -9.56835 TIMING: 4846200 CPU: 15403.3, 0.00319785/step Wall: 15403.3, 0.00319785/step, 0.136619 hours remaining, 239.382812 MB of memory in use. ENERGY: 4846200 4084.2571 20521.2545 14565.9367 254.7943 -203372.5500 2506.9204 0.0000 0.0000 51851.3083 -109588.0787 297.9902 -161439.3870 -109225.1189 299.3787 -8.4924 21.2467 761527.0511 4.5472 4.4662 PRESSURE: 4846400 234.935 -99.0983 102.802 -99.0983 265.22 28.6742 102.803 28.6753 279.996 GPRESSURE: 4846400 324.655 -69.9582 44.0221 -159.661 225.724 27.2109 171.183 67.8652 296.457 PRESSAVG: 4846400 26.65 -66.8098 27.7385 -66.8097 -23.0637 19.3877 27.7384 19.3877 18.6608 GPRESSAVG: 4846400 28.8617 -66.3158 27.9323 -68.2253 -26.2463 20.5414 28.7215 16.6571 19.7323 TIMING: 4846400 CPU: 15403.9, 0.00319626/step Wall: 15403.9, 0.00319626/step, 0.136374 hours remaining, 239.382812 MB of memory in use. ENERGY: 4846400 3936.9608 20669.0111 14565.8157 250.6498 -203786.8062 2767.1255 0.0000 0.0000 52101.2748 -109495.9684 299.4267 -161597.2432 -109137.8208 299.0006 260.0506 282.2789 761009.2471 7.4157 7.4492 PRESSURE: 4846600 -33.5098 -122.557 40.5718 -122.556 -229.213 -73.3958 40.572 -73.3962 -34.0522 GPRESSURE: 4846600 -43.4019 -65.5163 -18.9646 -64.1431 -116.4 -187.668 192.798 -112.933 -66.8954 PRESSAVG: 4846600 -24.0026 -51.0908 -19.9464 -51.0908 1.89876 12.5174 -19.9464 12.5174 -2.97423 GPRESSAVG: 4846600 -26.8996 -51.9049 -20.6262 -49.7066 4.06198 11.9169 -20.4018 13.1711 -2.21671 TIMING: 4846600 CPU: 15404.6, 0.00319582/step Wall: 15404.6, 0.00319582/step, 0.136177 hours remaining, 239.382812 MB of memory in use. ENERGY: 4846600 3945.0545 20583.7536 14385.3232 243.9143 -203519.9432 2404.9736 0.0000 0.0000 52312.2152 -109644.7089 300.6390 -161956.9241 -109278.7590 299.4195 -98.9249 -75.5656 762545.3852 -8.3593 -8.3514 PRESSURE: 4846800 -87.5288 -10.3164 219.37 -10.316 -152.104 -174.653 219.37 -174.654 308.54 GPRESSURE: 4846800 -64.2348 -28.0556 118.422 -117.798 -77.6703 -67.2308 139.002 -82.6317 311.548 PRESSAVG: 4846800 78.831 -69.9921 30.3502 -69.9922 -40.9019 3.58284 30.3502 3.58281 9.40653 GPRESSAVG: 4846800 80.1803 -70.3149 31.0338 -69.258 -42.4924 4.21974 27.9894 5.70715 9.58819 TIMING: 4846800 CPU: 15405.2, 0.00320275/step Wall: 15405.2, 0.00320275/step, 0.136295 hours remaining, 239.382812 MB of memory in use. ENERGY: 4846800 3988.4605 20491.7415 14511.6350 244.4540 -203067.9017 2391.6830 0.0000 0.0000 51975.2294 -109464.6983 298.7024 -161439.9277 -109102.8345 299.1539 22.9690 56.5477 762347.7435 15.7786 15.7587 PRESSURE: 4847000 -8.54529 -27.9229 -151.751 -27.9229 394.05 27.2869 -151.752 27.2867 -32.9889 GPRESSURE: 4847000 159.636 -134.091 -223.957 -74.9256 280.292 35.5882 -89.6428 25.4877 -21.6724 PRESSAVG: 4847000 29.0281 -16.6413 11.2677 -16.6412 -44.4809 11.2836 11.2677 11.2836 13.8788 GPRESSAVG: 4847000 28.6495 -17.2541 11.0649 -17.7353 -43.8988 11.3182 13.2969 9.24524 13.4004 TIMING: 4847000 CPU: 15405.8, 0.0032154/step Wall: 15405.8, 0.0032154/step, 0.136654 hours remaining, 239.382812 MB of memory in use. ENERGY: 4847000 3992.1410 20378.3336 14547.0281 237.3983 -203449.9228 2428.7417 0.0000 0.0000 51983.8855 -109882.3947 298.7521 -161866.2802 -109513.3630 299.0405 117.5053 139.4185 759467.4329 -0.5247 -0.6163 PRESSURE: 4847200 36.4337 -33.9209 -24.9777 -33.9202 30.0992 66.4947 -24.9776 66.4943 -17.7415 GPRESSURE: 4847200 103.742 51.2369 -68.9257 26.3242 48.1381 38.6852 38.9062 62.0112 -14.9193 PRESSAVG: 4847200 -27.1675 16.7333 -33.187 16.7333 -4.32706 1.15231 -33.187 1.15233 -6.07499 GPRESSAVG: 4847200 -27.5567 17.0498 -32.9123 17.7201 -3.59226 -0.577217 -33.4983 1.95241 -5.90119 TIMING: 4847200 CPU: 15406.5, 0.00322974/step Wall: 15406.5, 0.00322974/step, 0.137084 hours remaining, 239.382812 MB of memory in use. ENERGY: 4847200 3987.9282 20521.7839 14503.9325 239.1569 -203545.9738 2651.3149 0.0000 0.0000 51844.0074 -109797.8501 297.9482 -161641.8575 -109447.8940 298.4304 16.2638 45.6537 762402.7329 -12.5232 -12.3500 PRESSURE: 4847400 -39.6639 -36.6134 145.687 -36.6127 132.152 -289.99 145.686 -289.99 -195.137 GPRESSURE: 4847400 -19.4288 -66.6802 91.6293 23.9699 123.698 -195.225 110.53 -231.691 -136.782 PRESSAVG: 4847400 9.31089 -16.1041 -52.0802 -16.104 9.95436 -58.3388 -52.0802 -58.3389 -3.51783 GPRESSAVG: 4847400 9.80621 -15.4685 -52.7513 -15.4684 10.0101 -57.524 -52.9304 -58.9386 -4.31879 TIMING: 4847400 CPU: 15407.1, 0.00320818/step Wall: 15407.1, 0.00320818/step, 0.135991 hours remaining, 239.382812 MB of memory in use. ENERGY: 4847400 3988.9103 20548.1145 14508.8636 246.2414 -203383.9976 2294.5374 0.0000 0.0000 52039.8648 -109757.4657 299.0738 -161797.3305 -109399.8343 298.0926 -34.2164 -10.8378 761027.4426 5.2491 5.1659 PRESSURE: 4847600 -46.8519 -28.6969 -539.514 -28.6979 -311.689 128.251 -539.513 128.251 28.6036 GPRESSURE: 4847600 -57.0519 -7.94368 -510.295 -37.5978 -187.53 141.397 -315.867 206.76 -28.2746 PRESSAVG: 4847600 5.03091 5.65963 -7.05111 5.65964 4.37739 -14.174 -7.05108 -14.174 -9.70166 GPRESSAVG: 4847600 4.67244 4.91032 -4.9533 3.76809 4.74084 -14.4685 -6.06021 -11.4951 -9.48059 TIMING: 4847600 CPU: 15407.8, 0.00318004/step Wall: 15407.8, 0.00318004/step, 0.134622 hours remaining, 239.382812 MB of memory in use. ENERGY: 4847600 3953.1966 20471.1133 14514.5038 244.9787 -203361.7077 2491.2445 0.0000 0.0000 51884.5457 -109802.1250 298.1812 -161686.6706 -109434.6517 298.4163 -109.9791 -90.9522 762008.4030 -0.0978 -0.0224 PRESSURE: 4847800 130.433 -18.2411 64.0776 -18.2413 -355.343 56.6118 64.0774 56.6117 -396.8 GPRESSURE: 4847800 187.844 -111.014 84.8151 15.2324 -313.182 103.828 131.655 161.216 -398.707 PRESSAVG: 4847800 25.3728 -78.9171 14.394 -78.9171 -21.3575 39.4838 14.3941 39.4838 -28.242 GPRESSAVG: 4847800 26.0452 -79.5224 14.4461 -76.7662 -22.2168 40.4145 11.5378 36.9437 -28.1762 TIMING: 4847800 CPU: 15408.4, 0.00318699/step Wall: 15408.4, 0.00318699/step, 0.134739 hours remaining, 239.382812 MB of memory in use. ENERGY: 4847800 3969.5228 20606.7532 14440.1279 224.7592 -203332.0947 2413.2051 0.0000 0.0000 51763.8850 -109913.8415 297.4878 -161677.7265 -109557.5788 298.4730 -207.2367 -174.6816 761856.5681 -8.0756 -8.1159 PRESSURE: 4848000 54.1358 -31.878 231.55 -31.878 365.073 -5.78437 231.55 -5.78449 352.203 GPRESSURE: 4848000 133.568 5.62389 172.379 -24.3923 354.439 91.4796 271.864 -45.1797 373.931 PRESSAVG: 4848000 41.9844 -28.3103 8.05279 -28.3103 16.817 14.6249 8.05283 14.6249 -19.6358 GPRESSAVG: 4848000 43.3089 -26.8728 6.34338 -30.4276 16.9403 15.2301 11.8232 13.9603 -20.7392 TIMING: 4848000 CPU: 15409, 0.00318619/step Wall: 15409, 0.00318619/step, 0.134528 hours remaining, 239.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4848000 4015.8790 20571.7322 14513.9003 264.1484 -204114.6416 3070.2385 0.0000 0.0000 51932.3856 -109746.3576 298.4561 -161678.7432 -109403.2886 298.3851 257.1371 287.3126 760472.3157 13.0552 13.1700 PRESSURE: 4848200 -370.818 -424.411 -11.7356 -424.411 4.86399 16.9423 -11.7357 16.9412 -173.031 GPRESSURE: 4848200 -315.012 -303.541 -86.7768 -397.543 90.8691 89.063 4.71829 22.5301 -211.694 PRESSAVG: 4848200 48.6035 -82.5348 -12.566 -82.5348 -27.1358 -13.5043 -12.566 -13.5044 7.9366 GPRESSAVG: 4848200 47.182 -84.9201 -12.1338 -79.86 -26.0422 -15.2202 -14.1006 -12.7469 8.63855 TIMING: 4848200 CPU: 15409.7, 0.00321484/step Wall: 15409.7, 0.00321484/step, 0.135559 hours remaining, 239.382812 MB of memory in use. ENERGY: 4848200 4088.4941 20356.4621 14481.4275 238.5964 -203524.4391 2526.8058 0.0000 0.0000 51949.1993 -109883.4539 298.5528 -161832.6532 -109516.6538 298.6255 -179.6616 -145.2788 760291.4111 9.8014 9.9261 LDB: ============= START OF LOAD BALANCING ============== 15422.1 LDB: ============== END OF LOAD BALANCING =============== 15422.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15422.1 LDB: ============= START OF LOAD BALANCING ============== 15422.4 LDB: Largest compute 7047 load 0.035492 is 18.1% of average load 0.196029 LDB: Average compute 0.004417 is 2.3% of average load 0.196029 LDB: TIME 15422.4 LOAD: AVG 0.196029 MAX 0.219721 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 15422.4 LOAD: AVG 0.196029 MAX 0.219721 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: TIME 15422.4 LOAD: AVG 0.196029 MAX 0.219721 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.133 MB LDB: ============== END OF LOAD BALANCING =============== 15422.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15422.4 PRESSURE: 4848400 -169.118 -194.372 154.035 -194.372 -35.176 290.67 154.035 290.672 -94.5792 GPRESSURE: 4848400 -159.717 -145.616 133.759 -164.812 -26.1195 293.444 204.515 231.943 -22.7098 PRESSAVG: 4848400 37.3615 -34.8096 -25.1647 -34.8096 -4.93297 51.9396 -25.1648 51.9396 9.09387 GPRESSAVG: 4848400 37.2043 -34.2618 -23.594 -36.9932 -5.37884 51.3659 -24.9109 50.8632 9.47853 TIMING: 4848400 CPU: 15410.3, 0.00327563/step Wall: 15410.3, 0.00327563/step, 0.13794 hours remaining, 239.445312 MB of memory in use. ENERGY: 4848400 4023.9739 20480.0952 14428.0450 240.1666 -203344.8549 2226.1835 0.0000 0.0000 51823.6538 -110122.7368 297.8313 -161946.3906 -109762.1717 298.3995 -99.6244 -69.5153 758470.5266 13.8408 13.7680 PRESSURE: 4848600 -88.001 -149.131 -98.9261 -149.131 -172.119 -168.407 -98.9261 -168.407 -233.4 GPRESSURE: 4848600 -91.3249 -64.06 -18.4512 -156.081 -124.162 -160.983 -70.1484 -156.956 -190.607 PRESSAVG: 4848600 16.3609 -30.1085 -80.3773 -30.1085 26.4806 -55.1066 -80.3772 -55.1066 11.1981 GPRESSAVG: 4848600 16.4506 -28.6831 -81.0656 -29.1224 25.8601 -52.1966 -81.0035 -53.5001 11.5749 TIMING: 4848600 CPU: 15411, 0.00319959/step Wall: 15411, 0.00319959/step, 0.13456 hours remaining, 239.445312 MB of memory in use. ENERGY: 4848600 4044.7142 20441.9443 14547.2239 229.3197 -203145.5566 2129.5970 0.0000 0.0000 51624.4534 -110128.3043 296.6864 -161752.7576 -109769.7495 298.1905 -164.5067 -135.3647 758086.4078 18.0132 17.9619 PRESSURE: 4848800 77.3687 104.029 -178.644 104.028 132.564 -105.278 -178.644 -105.28 349.298 GPRESSURE: 4848800 172.65 82.3909 -219.848 54.961 186.392 -127.986 -45.2756 -103.651 301.774 PRESSAVG: 4848800 25.6843 -47.1686 44.3466 -47.1686 -87.2853 -1.64962 44.3467 -1.64956 -5.20796 GPRESSAVG: 4848800 25.2202 -47.0488 45.8924 -47.3717 -86.9221 -3.93146 45.099 -1.98203 -5.47599 TIMING: 4848800 CPU: 15411.6, 0.00321239/step Wall: 15411.6, 0.00321239/step, 0.13492 hours remaining, 239.445312 MB of memory in use. ENERGY: 4848800 3960.2776 20566.4063 14466.6923 246.5837 -203901.6352 2569.9418 0.0000 0.0000 52243.2756 -109848.4579 300.2428 -162091.7334 -109490.4855 298.5027 186.4103 220.2717 756697.3324 -22.2696 -22.3926 PRESSURE: 4849000 -209.171 112.538 40.6708 112.539 -41.998 -17.1831 40.6716 -17.1836 -369.467 GPRESSURE: 4849000 -203.553 105.231 63.999 45.3068 -29.3809 -2.80927 132.294 -66.9894 -311.102 PRESSAVG: 4849000 34.4684 27.659 40.626 27.659 -13.9726 -7.79984 40.6259 -7.79985 -12.896 GPRESSAVG: 4849000 35.0007 27.424 38.8307 25.0546 -13.555 -6.53018 39.7253 -10.5093 -13.9847 TIMING: 4849000 CPU: 15412.3, 0.00322068/step Wall: 15412.3, 0.00322068/step, 0.135089 hours remaining, 239.445312 MB of memory in use. ENERGY: 4849000 3952.4615 20487.5722 14519.3903 242.2259 -203209.3234 2061.9415 0.0000 0.0000 52067.2163 -109878.5157 299.2310 -161945.7320 -109521.0955 298.8779 -206.8786 -181.3454 760044.3428 2.5333 2.4870 PRESSURE: 4849200 -114.746 52.2353 305.671 52.2349 -20.8531 26.3851 305.671 26.3843 183.791 GPRESSURE: 4849200 -38.5655 98.001 268.495 9.89448 -63.0922 12.055 222.232 115.903 229.855 PRESSAVG: 4849200 56.026 -8.95205 -13.664 -8.95206 -53.635 43.4987 -13.664 43.4987 -1.09874 GPRESSAVG: 4849200 55.6145 -10.8599 -13.256 -7.22696 -54.0123 42.0189 -14.3741 45.4486 -0.546591 TIMING: 4849200 CPU: 15412.9, 0.00324374/step Wall: 15412.9, 0.00324374/step, 0.135877 hours remaining, 239.445312 MB of memory in use. ENERGY: 4849200 3963.9441 20456.9298 14503.6634 255.0257 -203263.9555 2398.6038 0.0000 0.0000 51903.7112 -109782.0774 298.2913 -161685.7886 -109415.6468 298.6196 16.0638 42.7325 761601.5961 0.4307 0.3518 PRESSURE: 4849400 131.417 -151.249 21.9259 -151.249 -70.4485 -170.618 21.9264 -170.618 74.7759 GPRESSURE: 4849400 98.3863 -70.3283 21.3472 12.2891 31.3611 -133.421 111.275 -59.0423 97.5598 PRESSAVG: 4849400 14.8294 -54.649 -27.2583 -54.649 -20.1193 -32.769 -27.2582 -32.769 -6.84509 GPRESSAVG: 4849400 14.7866 -52.8551 -27.4761 -54.0512 -19.4115 -31.1963 -24.8837 -33.9077 -7.89935 TIMING: 4849400 CPU: 15413.6, 0.00325095/step Wall: 15413.6, 0.00325095/step, 0.135998 hours remaining, 239.445312 MB of memory in use. ENERGY: 4849400 3981.0103 20396.6601 14499.9173 216.9689 -203416.3481 2591.1056 0.0000 0.0000 51965.6369 -109765.0490 298.6472 -161730.6859 -109411.5959 298.8333 45.2482 75.7691 759539.0441 -4.0450 -4.1748 PRESSURE: 4849600 253.888 57.7434 -118.368 57.7431 70.7309 -63.1759 -118.369 -63.1756 -78.9817 GPRESSURE: 4849600 214.191 44.5231 -205.769 99.6911 268.346 -44.7793 -127.647 -63.6611 -145.977 PRESSAVG: 4849600 49.2386 -1.48098 29.4202 -1.48098 -7.57619 -20.5156 29.4201 -20.5155 12.0953 GPRESSAVG: 4849600 48.8721 -1.875 28.3568 -1.58619 -7.83764 -20.0771 29.8846 -19.1637 12.73 TIMING: 4849600 CPU: 15414.2, 0.00322774/step Wall: 15414.2, 0.00322774/step, 0.134848 hours remaining, 239.445312 MB of memory in use. ENERGY: 4849600 3905.9354 20506.6169 14558.9909 246.7039 -203327.9107 2363.2702 0.0000 0.0000 52072.3757 -109674.0178 299.2607 -161746.3934 -109309.6482 298.9060 81.8791 112.1866 759551.2522 17.9193 17.9215 PRESSURE: 4849800 -123.249 82.5278 -63.0194 82.5286 -219.567 42.2251 -63.0193 42.2254 -81.8632 GPRESSURE: 4849800 -100.049 57.0421 40.2365 -58.1764 -159.114 26.3107 -53.6386 138.818 -98.123 PRESSAVG: 4849800 -15.798 -37.4316 -23.2725 -37.4317 0.53855 39.2278 -23.2725 39.2277 -25.0361 GPRESSAVG: 4849800 -15.0765 -37.1799 -21.8884 -37.6235 -0.312322 38.7313 -26.0043 38.5497 -25.0015 TIMING: 4849800 CPU: 15414.9, 0.00322659/step Wall: 15414.9, 0.00322659/step, 0.13462 hours remaining, 239.445312 MB of memory in use. ENERGY: 4849800 4007.5709 20469.0709 14480.2931 270.6797 -203243.1619 2356.5853 0.0000 0.0000 51991.7112 -109667.2508 298.7971 -161658.9620 -109311.8064 298.8230 -141.5597 -119.0954 757821.9923 -13.4319 -13.4634 PRESSURE: 4850000 -44.6786 233.678 15.6648 233.678 77.2488 -102.764 15.6651 -102.764 64.8877 GPRESSURE: 4850000 -8.91743 215.53 -49.8787 187.588 91.0179 -179.246 83.8277 45.8935 100.363 PRESSAVG: 4850000 -32.2336 -11.7468 27.5573 -11.7468 34.1932 56.8467 27.5573 56.8468 -8.86457 GPRESSAVG: 4850000 -33.4837 -13.1747 28.2371 -10.9629 35.0743 57.2864 30.8475 57.2718 -8.56199 TIMING: 4850000 CPU: 15415.5, 0.00321112/step Wall: 15415.5, 0.00321112/step, 0.133797 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4850000 4047.9188 20617.3355 14475.8775 254.8327 -203693.4520 2643.7552 0.0000 0.0000 51973.4458 -109680.2865 298.6921 -161653.7323 -109327.4477 299.3286 32.4859 60.8210 758475.8459 -2.3017 -2.3238 PRESSURE: 4850200 -234.784 -121.725 -75.5172 -121.724 136.504 -313.351 -75.5168 -313.352 45.9294 GPRESSURE: 4850200 -204.162 -117.275 -58.7176 -88.5923 119.196 -276.594 18.2961 -238.572 118.096 PRESSAVG: 4850200 -42.6179 10.9781 10.7222 10.978 -35.9316 -34.2903 10.7221 -34.2903 -14.9151 GPRESSAVG: 4850200 -42.9489 12.5225 10.9656 10.9058 -36.4106 -34.7185 9.75464 -33.4951 -14.1414 TIMING: 4850200 CPU: 15416.1, 0.00319927/step Wall: 15416.1, 0.00319927/step, 0.133125 hours remaining, 239.445312 MB of memory in use. ENERGY: 4850200 4069.7943 20357.9301 14442.0622 243.1053 -203258.1659 2477.8749 0.0000 0.0000 52158.9526 -109508.4466 299.7582 -161667.3992 -109152.4288 299.4313 -17.4501 11.0434 759954.6534 -31.1548 -31.1670 PRESSURE: 4850400 -54.8629 -40.6036 185.558 -40.6038 -408.798 -95.7451 185.558 -95.7448 426.708 GPRESSURE: 4850400 17.7348 -111.026 219.295 66.9203 -287.368 -189.96 174.583 -114.029 326.721 PRESSAVG: 4850400 -8.19599 -6.66136 -19.4872 -6.66129 -11.2224 -6.32909 -19.4872 -6.3291 -3.49725 GPRESSAVG: 4850400 -7.4797 -7.79565 -19.4911 -7.22516 -10.8785 -5.61121 -19.2806 -7.22588 -4.39542 TIMING: 4850400 CPU: 15416.8, 0.00320718/step Wall: 15416.8, 0.00320718/step, 0.133276 hours remaining, 239.445312 MB of memory in use. ENERGY: 4850400 3984.7523 20343.6643 14473.6620 245.1420 -202822.4554 2185.6653 0.0000 0.0000 51946.5638 -109643.0058 298.5376 -161589.5696 -109280.5440 298.7585 -12.3176 19.0291 760495.8646 -7.6386 -7.5845 PRESSURE: 4850600 -217.711 95.6053 -172.136 95.6063 -166.438 25.3997 -172.137 25.4004 -284.866 GPRESSURE: 4850600 -71.5228 -12.4207 -202.298 185.365 -220.328 46.1943 -130.753 54.8291 -278.821 PRESSAVG: 4850600 73.8067 -37.7889 -34.7453 -37.7889 -34.0656 -42.8752 -34.7453 -42.8752 -0.746434 GPRESSAVG: 4850600 73.7761 -36.7561 -35.6194 -38.9799 -33.8346 -42.7596 -34.648 -42.8142 -1.4721 TIMING: 4850600 CPU: 15417.4, 0.00319069/step Wall: 15417.4, 0.00319069/step, 0.132414 hours remaining, 239.445312 MB of memory in use. ENERGY: 4850600 4040.3389 20404.4334 14395.5843 235.7844 -202761.3854 2137.8048 0.0000 0.0000 52201.9167 -109345.5228 300.0051 -161547.4396 -108978.8909 299.7160 -223.0048 -190.2240 760418.9673 12.9982 12.8231 PRESSURE: 4850800 8.25008 209.89 -254.866 209.891 -380.109 -43.6375 -254.866 -43.6364 -124.495 GPRESSURE: 4850800 -26.3852 100.734 -244.712 179.95 -289.454 3.86279 -274.845 -12.6723 -107.585 PRESSAVG: 4850800 0.501581 50.3411 -24.4746 50.3411 0.949104 -43.1345 -24.4746 -43.1344 8.67881 GPRESSAVG: 4850800 -0.760981 50.0728 -23.1703 48.5316 0.873409 -42.6864 -25.4732 -42.6189 9.39461 TIMING: 4850800 CPU: 15418.1, 0.0031872/step Wall: 15418.1, 0.0031872/step, 0.132092 hours remaining, 239.445312 MB of memory in use. ENERGY: 4850800 4159.1611 20491.9010 14503.7700 227.0276 -202835.2267 2144.8799 0.0000 0.0000 52016.7172 -109291.7700 298.9408 -161308.4872 -108939.1989 299.4103 -165.4513 -141.1413 761227.6811 3.3765 3.1690 PRESSURE: 4851000 46.1912 165.965 -14.7436 165.965 4.55856 6.76164 -14.7435 6.76138 -36.6152 GPRESSURE: 4851000 65.7261 115.376 -51.0911 -12.8791 -19.4615 50.7395 -76.3536 115.851 61.2661 PRESSAVG: 4851000 26.2089 36.986 -22.1999 36.986 -45.0739 -46.4975 -22.1999 -46.4975 -0.601333 GPRESSAVG: 4851000 26.8587 37.1376 -22.3502 37.6034 -45.3757 -46.8687 -21.5307 -47.1472 -0.699912 TIMING: 4851000 CPU: 15418.7, 0.00321436/step Wall: 15418.7, 0.00321436/step, 0.133039 hours remaining, 239.445312 MB of memory in use. ENERGY: 4851000 3997.3113 20436.2630 14419.6265 235.1272 -203025.3571 2315.2475 0.0000 0.0000 52280.3905 -109341.3911 300.4561 -161621.7816 -108975.1570 299.5062 4.7115 35.8435 762275.4642 -6.4888 -6.4056 PRESSURE: 4851200 -194.374 180.621 -451.517 180.621 -124.377 -24.0708 -451.517 -24.0708 157.666 GPRESSURE: 4851200 -90.1549 110.291 -488.795 81.3352 -114.618 27.064 -277.544 -88.8254 146.386 PRESSAVG: 4851200 24.4511 37.5286 -11.7366 37.5286 3.78527 -8.85785 -11.7366 -8.85785 34.3657 GPRESSAVG: 4851200 23.5282 39.5024 -11.2616 39.8467 3.01095 -8.49691 -12.1495 -10.1072 35.3516 TIMING: 4851200 CPU: 15419.3, 0.00320838/step Wall: 15419.3, 0.00320838/step, 0.132613 hours remaining, 239.445312 MB of memory in use. ENERGY: 4851200 3991.0258 20455.9174 14485.7805 229.0585 -202994.4971 2478.7787 0.0000 0.0000 52180.6836 -109173.2527 299.8831 -161353.9362 -108812.7635 299.6492 -53.6947 -19.4623 762377.1264 20.8674 20.6303 PRESSURE: 4851400 -22.4549 228.697 -53.6453 228.696 5.32781 -103.097 -53.6461 -103.098 -259.066 GPRESSURE: 4851400 4.89103 124.409 73.2812 124.897 -19.7905 -96.4232 -39.3679 -108.286 -186.913 PRESSAVG: 4851400 23.6901 -48.4209 -6.87349 -48.4209 -38.1666 53.3539 -6.87353 53.3539 -4.70202 GPRESSAVG: 4851400 24.4492 -51.4031 -6.46536 -48.7221 -38.5101 54.2356 -6.65355 53.4951 -4.93712 TIMING: 4851400 CPU: 15420, 0.00321057/step Wall: 15420, 0.00321057/step, 0.132525 hours remaining, 239.445312 MB of memory in use. ENERGY: 4851400 3979.6506 20414.8988 14455.1930 250.2343 -203034.2671 2387.6361 0.0000 0.0000 52211.5022 -109335.1520 300.0602 -161546.6542 -108978.0509 300.0652 -92.0642 -67.2707 760530.7970 -6.3928 -6.3327 PRESSURE: 4851600 442.376 22.4918 -15.6604 22.4919 4.18625 -332.718 -15.6603 -332.718 -311.455 GPRESSURE: 4851600 317.641 66.417 25.2909 6.62827 178.486 -418.735 47.5502 -237.054 -285.049 PRESSAVG: 4851600 48.4313 21.1325 90.4728 21.1325 -46.126 -2.21713 90.4729 -2.21714 7.95708 GPRESSAVG: 4851600 47.6818 22.8877 89.1463 19.2283 -44.7816 -4.68509 89.3637 -0.212569 7.08924 TIMING: 4851600 CPU: 15420.6, 0.00320481/step Wall: 15420.6, 0.00320481/step, 0.132109 hours remaining, 239.445312 MB of memory in use. ENERGY: 4851600 4017.9606 20489.8738 14494.6217 227.2700 -203393.9707 2487.0174 0.0000 0.0000 52380.6044 -109296.6228 301.0321 -161677.2272 -108932.5366 299.7983 45.0359 70.3595 759248.4364 3.4208 3.3298 PRESSURE: 4851800 -197.889 78.2254 -60.5891 78.2256 -180.191 -97.8981 -60.5894 -97.8986 7.971 GPRESSURE: 4851800 -164.385 101.711 50.0885 178.29 -155.293 -100.421 -125.99 -120.553 26.6344 PRESSAVG: 4851800 12.2709 19.0413 11.0472 19.0413 -30.1557 -22.7231 11.0472 -22.7232 10.3839 GPRESSAVG: 4851800 11.8252 19.1473 13.2385 21.2294 -31.268 -21.5402 10.2022 -23.7568 11.2267 TIMING: 4851800 CPU: 15421.3, 0.00317984/step Wall: 15421.3, 0.00317984/step, 0.130904 hours remaining, 239.445312 MB of memory in use. ENERGY: 4851800 3926.9137 20515.9652 14471.1144 248.4947 -202845.5693 2158.8650 0.0000 0.0000 52005.9537 -109518.2627 298.8789 -161524.2165 -109153.0758 299.4557 -123.3696 -97.6810 760614.9633 -2.5003 -2.7387 PRESSURE: 4852000 -101.251 -33.8503 -84.2888 -33.85 -359.702 79.4709 -84.288 79.4714 -330.908 GPRESSURE: 4852000 -42.5734 -24.9411 -159.454 -33.4695 -302.94 116.347 -130.863 77.6371 -364.022 PRESSAVG: 4852000 44.9271 -18.2735 -58.8989 -18.2735 -40.7905 -19.1969 -58.8989 -19.1969 8.21551 GPRESSAVG: 4852000 45.9057 -18.421 -60.5891 -19.446 -40.9043 -17.5354 -59.2059 -19.0869 7.72659 TIMING: 4852000 CPU: 15421.9, 0.00318139/step Wall: 15421.9, 0.00318139/step, 0.130791 hours remaining, 239.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4852000 3958.7340 20351.1823 14486.2666 240.2758 -202856.4791 2136.6377 0.0000 0.0000 52185.1348 -109498.2480 299.9087 -161683.3828 -109131.4292 299.0609 -263.9538 -236.5121 760723.8852 4.1174 4.2427 PRESSURE: 4852200 374.884 -221.56 -156.83 -221.56 139.811 -123.835 -156.83 -123.835 214.69 GPRESSURE: 4852200 317.923 -125.442 -167.39 -182.188 246.588 -174.734 -101.685 -95.222 268.265 PRESSAVG: 4852200 -19.0024 3.08503 -40.5567 3.08506 16.8478 29.0033 -40.5566 29.0033 -31.0125 GPRESSAVG: 4852200 -20.7067 4.3327 -41.4303 2.41108 18.6818 27.5405 -38.391 29.0499 -30.9943 TIMING: 4852200 CPU: 15422.5, 0.00321598/step Wall: 15422.5, 0.00321598/step, 0.132034 hours remaining, 239.445312 MB of memory in use. ENERGY: 4852200 3944.4458 20349.3983 14469.5526 255.2586 -203094.1453 2327.9773 0.0000 0.0000 52339.3234 -109408.1894 300.7948 -161747.5128 -109047.9489 299.1871 243.1281 277.5920 759403.1322 -11.0557 -11.0064 LDB: ============= START OF LOAD BALANCING ============== 15434.9 LDB: ============== END OF LOAD BALANCING =============== 15434.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15434.9 LDB: ============= START OF LOAD BALANCING ============== 15435.3 LDB: Largest compute 7025 load 0.035539 is 18.1% of average load 0.195980 LDB: Average compute 0.004397 is 2.2% of average load 0.195980 LDB: TIME 15435.3 LOAD: AVG 0.19598 MAX 0.218293 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 240.465 MB LDB: TIME 15435.3 LOAD: AVG 0.19598 MAX 0.218293 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.465 MB LDB: TIME 15435.3 LOAD: AVG 0.19598 MAX 0.218293 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15435.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15435.3 PRESSURE: 4852400 -226.466 -107.477 -177.94 -107.477 -193.361 -56.5644 -177.94 -56.5641 126.306 GPRESSURE: 4852400 -190.397 -109.937 -176.872 -10.9302 -144.16 -95.8584 -62.926 219.592 126.695 PRESSAVG: 4852400 19.295 26.3118 -14.2426 26.3118 13.9309 3.50099 -14.2425 3.50089 -10.582 GPRESSAVG: 4852400 20.3951 26.0886 -12.9806 27.5352 12.4144 3.69042 -15.2874 3.25108 -10.0789 TIMING: 4852400 CPU: 15423.2, 0.00330962/step Wall: 15423.2, 0.00330962/step, 0.135695 hours remaining, 237.496094 MB of memory in use. ENERGY: 4852400 4013.3383 20480.2672 14413.2575 233.8595 -203199.7572 2403.3751 0.0000 0.0000 52399.9602 -109255.6996 301.1433 -161655.6597 -108903.4012 299.4531 -97.8406 -69.2871 763192.3858 7.5480 7.5768 PRESSURE: 4852600 135.667 -23.864 -84.3761 -23.863 -157.658 -1.56892 -84.3763 -1.5687 72.4804 GPRESSURE: 4852600 64.0976 168.682 2.98916 140.685 -30.645 10.9675 -262.886 -46.3165 97.4308 PRESSAVG: 4852600 -15.1055 23.7366 26.0468 23.7366 -24.0512 17.5908 26.0469 17.5908 40.0357 GPRESSAVG: 4852600 -16.2981 24.3847 27.0889 22.9136 -23.8673 16.2523 25.5121 17.6167 41.2832 TIMING: 4852600 CPU: 15423.8, 0.00319426/step Wall: 15423.8, 0.00319426/step, 0.130787 hours remaining, 237.496094 MB of memory in use. ENERGY: 4852600 3930.3925 20510.9434 14477.7755 259.8980 -203189.3556 2422.7742 0.0000 0.0000 52231.2068 -109356.3651 300.1735 -161587.5719 -108998.8635 299.4438 16.8298 43.6278 762326.0109 0.2930 0.3726 PRESSURE: 4852800 52.6003 192.67 268.645 192.67 202.449 42.6741 268.646 42.6735 55.2749 GPRESSURE: 4852800 107.959 82.5598 249.629 -52.2494 186.886 21.6988 230.787 6.70744 99.128 PRESSAVG: 4852800 44.7639 54.967 15.9474 54.9669 -6.85814 -17.495 15.9473 -17.4951 3.49881 GPRESSAVG: 4852800 45.4753 55.7919 14.4536 55.2508 -7.87505 -17.0087 16.049 -16.0141 2.94783 TIMING: 4852800 CPU: 15424.5, 0.00320371/step Wall: 15424.5, 0.00320371/step, 0.130996 hours remaining, 237.496094 MB of memory in use. ENERGY: 4852800 3942.0481 20373.4256 14485.2325 260.2965 -203241.9476 2684.7063 0.0000 0.0000 52095.4297 -109400.8089 299.3932 -161496.2385 -109030.5299 299.7577 103.4415 131.3243 760326.8961 13.8015 13.5160 PRESSURE: 4853000 19.267 -52.8586 11.0512 -52.8588 184.507 118.493 11.0507 118.492 -245.831 GPRESSURE: 4853000 44.5627 10.6813 99.5401 -149.97 197.447 99.3308 -67.2665 158.712 -200.665 PRESSAVG: 4853000 -36.6266 -45.6453 -7.08881 -45.6454 7.40762 -2.34742 -7.0888 -2.34743 6.73802 GPRESSAVG: 4853000 -36.9985 -47.5646 -7.45737 -45.9255 8.51344 -1.41314 -7.76396 -3.55295 6.38385 TIMING: 4853000 CPU: 15425.1, 0.00319635/step Wall: 15425.1, 0.00319635/step, 0.130518 hours remaining, 237.496094 MB of memory in use. ENERGY: 4853000 3940.0907 20486.9326 14465.5764 239.4466 -203213.1198 2638.8619 0.0000 0.0000 51952.2616 -109489.9500 298.5704 -161442.2116 -109130.2107 299.3664 -14.0190 13.7816 761869.5792 -7.4936 -7.3671 PRESSURE: 4853200 -50.0474 35.2874 -14.4404 35.2869 131.043 53.0269 -14.4411 53.0276 -74.4009 GPRESSURE: 4853200 -64.9993 19.4646 -51.5971 -95.2816 217.15 68.0362 168.67 -69.6085 -70.0894 PRESSAVG: 4853200 -16.4974 -18.2178 -13.8514 -18.2178 51.6094 4.64194 -13.8514 4.64199 10.9152 GPRESSAVG: 4853200 -16.4526 -19.0635 -13.6636 -18.9272 51.2017 4.45027 -11.9597 4.82017 10.9022 TIMING: 4853200 CPU: 15425.8, 0.00319272/step Wall: 15425.8, 0.00319272/step, 0.130192 hours remaining, 237.496094 MB of memory in use. ENERGY: 4853200 3976.3546 20548.1636 14508.2817 237.3342 -203483.6138 2662.4979 0.0000 0.0000 52060.5711 -109490.4108 299.1928 -161550.9818 -109136.7462 299.0274 2.1981 27.3538 761581.5590 15.3424 15.2171 PRESSURE: 4853400 -85.6664 131.798 62.8514 131.798 -283.818 -8.56363 62.8516 -8.56318 -89.8944 GPRESSURE: 4853400 -127.714 133.193 47.9538 28.3318 -161.94 14.8986 86.5206 -113.286 -74.858 PRESSAVG: 4853400 -71.384 -17.8564 -9.92921 -17.8564 -8.16154 -0.168687 -9.9292 -0.16879 25.9991 GPRESSAVG: 4853400 -71.2383 -16.7789 -8.82007 -16.564 -7.57383 -0.655078 -12.2229 -0.226117 25.761 TIMING: 4853400 CPU: 15426.4, 0.00320704/step Wall: 15426.4, 0.00320704/step, 0.130598 hours remaining, 237.496094 MB of memory in use. ENERGY: 4853400 4049.4713 20452.4797 14477.8210 254.3737 -203623.3462 2955.4949 0.0000 0.0000 51985.7487 -109447.9569 298.7628 -161433.7056 -109096.0221 299.2094 -153.1263 -121.5039 761632.7012 -17.8488 -17.6837 PRESSURE: 4853600 18.1983 47.8325 -46.789 47.8325 -68.0175 80.5651 -46.7891 80.566 -77.4663 GPRESSURE: 4853600 15.8463 30.4218 -28.7492 154.256 5.09712 97.7051 -37.1772 162.744 -36.5521 PRESSAVG: 4853600 -29.5221 65.5352 -1.87776 65.5353 26.5306 -11.6708 -1.8778 -11.6708 -0.464762 GPRESSAVG: 4853600 -29.6438 61.4498 -3.63398 62.6049 26.121 -9.42567 -1.63263 -12.9622 -0.0903042 TIMING: 4853600 CPU: 15427, 0.00319268/step Wall: 15427, 0.00319268/step, 0.129836 hours remaining, 237.496094 MB of memory in use. ENERGY: 4853600 3910.0522 20464.3645 14457.4956 240.8949 -203111.1371 2469.7759 0.0000 0.0000 51969.6831 -109598.8710 298.6705 -161568.5540 -109233.7293 299.1422 -42.4285 -5.2029 762341.2533 -1.1521 -1.2043 PRESSURE: 4853800 47.022 35.9051 -177.612 35.9058 -152.366 217.988 -177.614 217.989 38.3928 GPRESSURE: 4853800 118.738 113.382 -203.155 22.2303 -8.34203 225.547 -242.345 211.86 -98.2505 PRESSAVG: 4853800 -22.501 24.8007 -31.4105 24.8007 21.2934 -6.64033 -31.4104 -6.64031 -9.60318 GPRESSAVG: 4853800 -22.8982 27.0556 -30.371 28.6324 22.0431 -8.641 -28.9871 -4.957 -9.9656 TIMING: 4853800 CPU: 15427.7, 0.00318466/step Wall: 15427.7, 0.00318466/step, 0.129332 hours remaining, 237.496094 MB of memory in use. ENERGY: 4853800 3951.7772 20510.8978 14484.3691 247.6939 -203158.9598 2513.7481 0.0000 0.0000 51779.9007 -109670.5728 297.5798 -161450.4736 -109304.5999 298.4897 -22.3170 4.0486 761717.3686 -3.6036 -3.6069 PRESSURE: 4854000 220.314 137.343 79.5892 137.343 47.1789 31.5978 79.5891 31.5984 28.7148 GPRESSURE: 4854000 198.791 126.813 86.3619 169.776 93.99 0.0254186 64.9473 52.8751 80.4558 PRESSAVG: 4854000 -40.6046 -23.2119 -8.3589 -23.2119 -1.65267 -32.0896 -8.3589 -32.0896 -9.89122 GPRESSAVG: 4854000 -40.3834 -21.6325 -9.66162 -22.4172 -2.62075 -31.8849 -9.79876 -33.3775 -8.98324 TIMING: 4854000 CPU: 15428.3, 0.00323459/step Wall: 15428.3, 0.00323459/step, 0.131181 hours remaining, 237.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4854000 3934.1623 20518.2580 14433.1465 247.6464 -203435.6500 2800.7870 0.0000 0.0000 51856.7639 -109644.8857 298.0215 -161501.6497 -109281.9924 298.6346 98.7360 124.4123 762773.8345 -17.3828 -17.3291 PRESSURE: 4854200 -255.681 96.6906 -32.4669 96.6904 22.4079 -52.4826 -32.467 -52.4825 367.249 GPRESSURE: 4854200 -162.005 59.215 18.3337 76.7269 -51.2879 -3.87444 23.9173 -50.8648 425.005 PRESSAVG: 4854200 84.5447 -12.3923 23.6687 -12.3924 11.2607 -46.1072 23.6686 -46.1072 12.258 GPRESSAVG: 4854200 85.7382 -15.6239 22.9066 -14.4314 10.7641 -45.0355 25.4515 -48.0783 11.8911 TIMING: 4854200 CPU: 15429, 0.00320605/step Wall: 15429, 0.00320605/step, 0.129845 hours remaining, 237.496094 MB of memory in use. ENERGY: 4854200 3986.2857 20410.7894 14459.2711 241.6855 -203361.8119 2570.9074 0.0000 0.0000 52000.6415 -109692.2313 298.8484 -161692.8728 -109319.9292 298.3007 44.6588 70.5707 762469.2204 36.0211 36.1311 PRESSURE: 4854400 -201.204 11.9413 151.107 11.9412 118.957 14.0946 151.107 14.0948 447.047 GPRESSURE: 4854400 -42.8701 157.934 64.9246 16.389 79.3275 34.7241 34.2146 71.2774 417.878 PRESSAVG: 4854400 42.944 -37.1217 -17.7165 -37.1217 -15.6072 -60.7626 -17.7165 -60.7626 4.64978 GPRESSAVG: 4854400 42.3323 -33.3268 -16.9372 -37.0122 -14.8397 -61.4856 -18.7692 -59.1978 4.76812 TIMING: 4854400 CPU: 15429.6, 0.00319623/step Wall: 15429.6, 0.00319623/step, 0.12927 hours remaining, 237.496094 MB of memory in use. ENERGY: 4854400 3943.6784 20709.2777 14463.4476 237.4953 -203419.7687 2610.3318 0.0000 0.0000 51699.8262 -109755.7116 297.1196 -161455.5378 -109402.0212 297.9884 121.5997 151.4452 760077.6465 10.6622 10.7536 PRESSURE: 4854600 -147.051 -54.6166 169.194 -54.6169 138.321 -229.029 169.193 -229.029 364.855 GPRESSURE: 4854600 -159.273 -53.5681 145.05 -72.0161 184.765 -206.693 27.5253 -270.34 404.411 PRESSAVG: 4854600 -14.4073 -14.2435 -22.0469 -14.2435 -3.40529 11.1883 -22.0469 11.1883 -17.658 GPRESSAVG: 4854600 -15.0162 -16.537 -21.635 -12.6237 -3.27576 11.0942 -23.1595 11.2153 -17.0913 TIMING: 4854600 CPU: 15430.2, 0.00321982/step Wall: 15430.2, 0.00321982/step, 0.130045 hours remaining, 237.496094 MB of memory in use. ENERGY: 4854600 3866.7010 20584.9783 14475.7769 262.5839 -203794.8677 2707.8695 0.0000 0.0000 52146.2638 -109750.6944 299.6853 -161896.9582 -109388.4146 298.4733 118.7080 143.3011 759404.4418 -11.8235 -11.7944 PRESSURE: 4854800 71.248 -33.2491 -85.6688 -33.2498 122.469 -43.4953 -85.6686 -43.4954 -125.078 GPRESSURE: 4854800 124.153 0.0129749 -90.3264 37.7938 130.868 -31.8827 18.3369 53.7896 -104.446 PRESSAVG: 4854800 15.6683 -34.564 -64.7141 -34.5641 14.9595 -6.98329 -64.7141 -6.98328 24.2672 GPRESSAVG: 4854800 16.7768 -35.9248 -64.7025 -35.023 14.2568 -7.63145 -64.2955 -8.30952 23.424 TIMING: 4854800 CPU: 15430.9, 0.00319906/step Wall: 15430.9, 0.00319906/step, 0.129029 hours remaining, 237.496094 MB of memory in use. ENERGY: 4854800 3972.9089 20496.1435 14464.8917 262.2650 -203627.2561 2801.9058 0.0000 0.0000 51796.6319 -109832.5094 297.6760 -161629.1412 -109477.4519 298.4838 22.8799 50.1918 759886.9440 18.2983 18.1525 PRESSURE: 4855000 14.448 -68.5884 204.787 -68.5878 -81.1068 -1.5302 204.788 -1.53013 160.755 GPRESSURE: 4855000 9.52573 -3.07349 101.053 62.2772 -15.889 -71.4836 48.9711 -57.0171 187.342 PRESSAVG: 4855000 61.8381 -37.5061 -17.7631 -37.5061 -77.1221 1.81007 -17.7631 1.8101 -3.24282 GPRESSAVG: 4855000 60.5641 -35.8876 -16.4294 -38.0347 -76.093 1.64001 -17.1977 1.69861 -3.07351 TIMING: 4855000 CPU: 15431.5, 0.00319114/step Wall: 15431.5, 0.00319114/step, 0.128532 hours remaining, 237.496094 MB of memory in use. ENERGY: 4855000 3953.8755 20273.2894 14491.0307 237.2012 -203656.7349 2820.0975 0.0000 0.0000 52169.9386 -109711.3020 299.8214 -161881.2405 -109346.7696 298.4810 31.3653 60.3264 760999.8700 -6.1756 -6.2008 PRESSURE: 4855200 -231.112 7.65309 41.0584 7.65423 47.4845 -14.7469 41.0589 -14.7469 102.203 GPRESSURE: 4855200 -108.706 -156.546 31.8234 39.2262 -25.0891 17.7078 18.5361 -25.8917 158.442 PRESSAVG: 4855200 8.53899 -29.0644 16.8775 -29.0644 -36.077 -40.876 16.8775 -40.8761 -15.3785 GPRESSAVG: 4855200 9.2054 -31.5773 16.1888 -27.4029 -37.5746 -40.6894 17.0381 -39.9719 -14.7642 TIMING: 4855200 CPU: 15432.2, 0.00319393/step Wall: 15432.2, 0.00319393/step, 0.128467 hours remaining, 237.496094 MB of memory in use. ENERGY: 4855200 3967.4876 20508.8764 14502.9818 241.6957 -203363.5307 2725.2377 0.0000 0.0000 51882.0624 -109535.1890 298.1669 -161417.2514 -109179.9729 298.7722 -27.1415 8.2156 761842.5068 -14.3055 -14.3778 PRESSURE: 4855400 79.3238 -306.595 -164.109 -306.595 4.78947 -190.202 -164.11 -190.203 156.558 GPRESSURE: 4855400 8.29921 -270.926 -107.131 -361.245 69.4114 -237.435 -265.686 -109.597 252.302 PRESSAVG: 4855400 34.2527 -44.6422 -50.3175 -44.6421 -35.8099 -4.5857 -50.3175 -4.58574 -3.60793 GPRESSAVG: 4855400 34.2156 -41.9635 -49.0549 -46.9845 -34.4154 -6.1156 -52.1002 -2.68154 -5.0034 TIMING: 4855400 CPU: 15432.8, 0.00321149/step Wall: 15432.8, 0.00321149/step, 0.128995 hours remaining, 237.496094 MB of memory in use. ENERGY: 4855400 4001.1738 20394.8185 14476.6318 235.4604 -203330.4855 2616.2301 0.0000 0.0000 51980.6337 -109625.5372 298.7334 -161606.1710 -109263.2020 298.7704 80.2236 110.0041 760139.6663 -1.7217 -1.7344 PRESSURE: 4855600 -69.0782 201.284 -124.583 201.284 -65.9538 199.013 -124.582 199.014 -372.752 GPRESSURE: 4855600 -16.9558 185.755 -140.908 132.785 -104.569 144.712 -87.4054 51.1091 -313.086 PRESSAVG: 4855600 8.53712 -26.0454 -70.4966 -26.0454 -25.6397 -49.0239 -70.4966 -49.0239 7.54523 GPRESSAVG: 4855600 9.35286 -25.8186 -70.5263 -24.8752 -25.9111 -48.2132 -69.4717 -50.6118 7.02569 TIMING: 4855600 CPU: 15433.4, 0.00320305/step Wall: 15433.4, 0.00320305/step, 0.128478 hours remaining, 237.496094 MB of memory in use. ENERGY: 4855600 4074.9191 20406.2034 14606.9077 238.0926 -203451.9615 2455.9679 0.0000 0.0000 52125.5313 -109544.3396 299.5661 -161669.8709 -109180.2017 299.2074 -169.2614 -144.8705 759304.9227 -3.1858 -3.1775 PRESSURE: 4855800 86.6171 -136.23 248.269 -136.229 54.8122 -42.7626 248.268 -42.7623 279.059 GPRESSURE: 4855800 172.404 -66.7805 198.738 -114.205 35.1143 -4.75641 221.663 -81.7931 308.58 PRESSAVG: 4855800 17.4278 4.43219 -39.5657 4.43224 -16.0644 55.2707 -39.5656 55.2707 -2.48237 GPRESSAVG: 4855800 18.074 3.01602 -39.493 4.63204 -17.6655 55.6159 -39.7672 55.3351 -1.46393 TIMING: 4855800 CPU: 15434.1, 0.00321718/step Wall: 15434.1, 0.00321718/step, 0.128866 hours remaining, 237.496094 MB of memory in use. ENERGY: 4855800 4004.3837 20560.3380 14517.7639 236.9182 -203427.2044 2689.5168 0.0000 0.0000 51928.5672 -109489.7167 298.4342 -161418.2839 -109137.6940 298.8154 140.1627 172.0328 759130.3518 -0.3730 -0.3518 PRESSURE: 4856000 -296.466 9.33066 229.22 9.3312 -61.2243 -48.8471 229.219 -48.8476 413.204 GPRESSURE: 4856000 -229.058 -42.0967 160.188 -62.9561 -27.7129 -11.4741 202.985 82.9995 398.767 PRESSAVG: 4856000 13.5009 -38.4896 7.10935 -38.4897 -40.8476 29.7204 7.10938 29.7203 24.6881 GPRESSAVG: 4856000 12.6123 -37.8427 6.91904 -42.0592 -39.2377 30.7017 7.76168 30.2875 24.0646 TIMING: 4856000 CPU: 15434.7, 0.00321005/step Wall: 15434.7, 0.00321005/step, 0.128402 hours remaining, 237.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4856000 3964.2639 20263.1459 14465.1797 252.9598 -203703.7727 3013.8099 0.0000 0.0000 52370.4016 -109374.0119 300.9734 -161744.4135 -109008.5755 299.7003 18.5045 47.3320 760911.4794 -0.8862 -0.8536 PRESSURE: 4856200 46.155 -75.7372 34.5235 -75.7376 58.1049 48.9477 34.5233 48.9482 116.915 GPRESSURE: 4856200 122.375 -42.6666 -27.2574 -255.264 64.6898 90.3374 38.0816 20.8803 128.421 PRESSAVG: 4856200 9.77109 -37.0387 21.4117 -37.0387 -12.9563 31.4066 21.4117 31.4067 -8.76096 GPRESSAVG: 4856200 7.78951 -36.4272 20.8151 -35.9786 -12.4213 30.4591 21.5302 32.2948 -7.36828 TIMING: 4856200 CPU: 15435.4, 0.00319256/step Wall: 15435.4, 0.00319256/step, 0.127525 hours remaining, 237.496094 MB of memory in use. ENERGY: 4856200 3949.7117 20447.4711 14449.9957 236.9283 -203477.2263 2754.4976 0.0000 0.0000 52035.4948 -109603.1270 299.0487 -161638.6218 -109237.9161 299.9503 73.7249 105.1617 760706.4200 -3.9821 -4.0000 LDB: ============= START OF LOAD BALANCING ============== 15447.8 LDB: ============== END OF LOAD BALANCING =============== 15447.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15447.8 LDB: ============= START OF LOAD BALANCING ============== 15448.1 LDB: Largest compute 7025 load 0.038448 is 19.6% of average load 0.195902 LDB: Average compute 0.004405 is 2.2% of average load 0.195902 LDB: TIME 15448.1 LOAD: AVG 0.195902 MAX 0.221803 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.496 MB LDB: TIME 15448.1 LOAD: AVG 0.195902 MAX 0.221803 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.5 MB LDB: TIME 15448.1 LOAD: AVG 0.195902 MAX 0.221803 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15448.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15448.1 PRESSURE: 4856400 -17.1574 -58.0508 -305.516 -58.051 -128.783 45.5151 -305.516 45.5143 187.169 GPRESSURE: 4856400 -49.0967 -86.5759 -255.843 -148.145 -46.7601 86.2405 -222.12 65.0477 199.111 PRESSAVG: 4856400 -39.6372 -75.6698 -48.0944 -75.6698 -4.95775 32.5541 -48.0943 32.554 -3.19519 GPRESSAVG: 4856400 -38.702 -76.6046 -47.2228 -74.9477 -5.83137 32.1276 -50.5707 30.6036 -3.26612 TIMING: 4856400 CPU: 15436, 0.00326296/step Wall: 15436, 0.00326296/step, 0.130156 hours remaining, 237.902344 MB of memory in use. ENERGY: 4856400 3992.2920 20518.4881 14452.2279 244.9957 -203431.7871 2561.4396 0.0000 0.0000 52093.0783 -109569.2654 299.3796 -161662.3437 -109218.6023 299.0556 13.7427 34.4182 759359.6370 -15.9300 -15.9332 PRESSURE: 4856600 153.747 33.4037 107.954 33.4041 94.3195 7.6469 107.954 7.64761 -183.484 GPRESSURE: 4856600 167.049 93.552 41.1528 164.916 120.401 -53.9528 192.511 29.2849 -134.139 PRESSAVG: 4856600 -5.33009 -25.8969 -23.799 -25.8969 -25.1622 16.0837 -23.799 16.0836 2.77748 GPRESSAVG: 4856600 -6.41402 -25.6453 -24.4279 -25.389 -23.9512 16.1723 -22.2101 16.6739 2.701 TIMING: 4856600 CPU: 15436.7, 0.00320503/step Wall: 15436.7, 0.00320503/step, 0.127667 hours remaining, 237.902344 MB of memory in use. ENERGY: 4856600 3988.3563 20609.3931 14494.3073 255.9161 -203349.1768 2506.1868 0.0000 0.0000 52084.6421 -109410.3751 299.3312 -161495.0172 -109051.9193 299.9270 21.5275 51.1038 761092.6016 -9.2383 -9.2214 PRESSURE: 4856800 287.61 -2.64766 -40.3813 -2.64769 -213.898 67.8036 -40.382 67.8026 25.7048 GPRESSURE: 4856800 251.002 -48.318 25.357 -28.4897 -95.3412 37.9656 -96.6436 96.6498 31.5134 PRESSAVG: 4856800 -29.809 -28.104 -20.2883 -28.104 -0.518489 36.7884 -20.2883 36.7884 -13.1596 GPRESSAVG: 4856800 -28.1582 -26.629 -21.1766 -28.5441 -1.16676 37.6792 -19.5802 34.5393 -14.2064 TIMING: 4856800 CPU: 15437.3, 0.00319239/step Wall: 15437.3, 0.00319239/step, 0.126986 hours remaining, 237.902344 MB of memory in use. ENERGY: 4856800 4018.4143 20646.4798 14466.4470 245.2719 -203552.6424 2720.3672 0.0000 0.0000 51928.3021 -109527.3601 298.4327 -161455.6622 -109171.3391 299.3389 33.1390 62.3916 760180.8338 -14.4957 -14.5105 PRESSURE: 4857000 133.604 -92.9591 115.078 -92.9596 443.349 -172.876 115.078 -172.876 418.687 GPRESSURE: 4857000 201.606 -28.645 177.386 -142.242 423.86 -236.521 26.3509 -16.36 432.95 PRESSAVG: 4857000 53.5005 18.1252 -3.7449 18.1253 -53.2442 -26.7757 -3.7449 -26.7757 22.256 GPRESSAVG: 4857000 51.7925 18.2088 -2.70147 18.3442 -51.7522 -26.6755 -4.28893 -24.447 22.4448 TIMING: 4857000 CPU: 15437.9, 0.00318838/step Wall: 15437.9, 0.00318838/step, 0.12665 hours remaining, 237.902344 MB of memory in use. ENERGY: 4857000 4000.5805 20461.9537 14515.3654 235.6313 -203819.0604 2884.6968 0.0000 0.0000 52255.3085 -109465.5243 300.3120 -161720.8328 -109098.7208 299.2802 331.8799 352.8055 759679.3113 7.5041 7.4950 PRESSURE: 4857200 -29.9259 133.298 -68.0289 133.298 -115.919 3.36681 -68.0285 3.36737 191.976 GPRESSURE: 4857200 -47.3206 120.873 -63.3466 74.5453 -64.1131 -34.1928 -59.9847 -53.7157 219.774 PRESSAVG: 4857200 45.6789 7.32096 20.9097 7.32101 -37.2811 -11.4555 20.9097 -11.4556 -0.861778 GPRESSAVG: 4857200 46.9328 5.15176 20.7263 6.42766 -39.3703 -12.2026 19.0636 -11.7459 0.567905 TIMING: 4857200 CPU: 15438.6, 0.00319847/step Wall: 15438.6, 0.00319847/step, 0.126873 hours remaining, 237.902344 MB of memory in use. ENERGY: 4857200 3972.0884 20591.2832 14451.2631 263.1415 -203538.5069 2779.3907 0.0000 0.0000 52098.5900 -109382.7501 299.4113 -161481.3401 -109030.7289 299.3533 15.3768 36.1135 761852.2814 2.5120 2.7101 PRESSURE: 4857400 -73.8304 -54.1687 -250.397 -54.1688 196.945 31.7323 -250.399 31.731 141.461 GPRESSURE: 4857400 -28.0916 67.873 -275.594 -78.4883 188.43 -20.1818 -255.265 14.0833 189.188 PRESSAVG: 4857400 29.2117 35.182 28.1194 35.1821 -4.34677 -49.6672 28.1194 -49.6672 -5.98688 GPRESSAVG: 4857400 29.6011 35.2561 27.4057 37.1442 -4.40486 -49.9947 30.4165 -49.7165 -6.62089 TIMING: 4857400 CPU: 15439.2, 0.00318247/step Wall: 15439.2, 0.00318247/step, 0.126061 hours remaining, 237.902344 MB of memory in use. ENERGY: 4857400 3966.8605 20445.9117 14584.8706 241.8870 -203372.7071 2655.5972 0.0000 0.0000 51929.6514 -109547.9287 298.4404 -161477.5802 -109190.0690 299.7477 88.1917 116.5086 761725.8032 6.2927 6.1918 PRESSURE: 4857600 301.514 115.378 74.9346 115.377 -203.305 -12.3462 74.9345 -12.3462 441.68 GPRESSURE: 4857600 248.265 164.647 108.955 152.231 -25.3628 -38.5039 -47.3385 -19.3219 401.23 PRESSAVG: 4857600 -17.5755 -29.9455 70.5506 -29.9455 -29.2884 -9.08684 70.5506 -9.08673 9.987 GPRESSAVG: 4857600 -17.3811 -29.1016 71.5082 -30.7 -27.7899 -8.47136 68.8772 -9.26241 8.52671 TIMING: 4857600 CPU: 15439.8, 0.0031796/step Wall: 15439.8, 0.0031796/step, 0.125771 hours remaining, 237.902344 MB of memory in use. ENERGY: 4857600 4004.8523 20550.7632 14539.5944 254.7161 -203477.5159 2588.7054 0.0000 0.0000 51937.7315 -109601.1531 298.4869 -161538.8846 -109241.4886 298.9537 179.9631 208.0440 761151.5656 -12.2923 -12.2147 PRESSURE: 4857800 66.6067 60.1651 -349.842 60.1645 -111.317 -23.7614 -349.841 -23.7612 152.486 GPRESSURE: 4857800 28.0144 86.9455 -338.624 70.6786 30.0031 1.02653 -182.882 -16.539 150.97 PRESSAVG: 4857800 -15.9342 -15.4722 52.2934 -15.4722 7.13831 -25.244 52.2934 -25.2441 -6.86425 GPRESSAVG: 4857800 -17.7832 -13.9018 51.0505 -15.8406 8.38406 -26.1985 54.1677 -24.402 -6.55011 TIMING: 4857800 CPU: 15440.5, 0.00318221/step Wall: 15440.5, 0.00318221/step, 0.125697 hours remaining, 237.902344 MB of memory in use. ENERGY: 4857800 3962.1911 20417.2078 14531.4403 232.8349 -203815.6381 2873.5597 0.0000 0.0000 51973.9079 -109824.4965 298.6948 -161798.4043 -109466.7359 299.3105 35.9251 69.6625 762220.7663 -5.2200 -5.3164 PRESSURE: 4858000 191.647 -129.657 179.422 -129.657 164.989 60.0706 179.422 60.0717 -12.8574 GPRESSURE: 4858000 283.813 -74.4651 156.921 -56.753 92.4541 80.0472 157.261 125.247 31.1925 PRESSAVG: 4858000 -28.908 -19.269 -19.5924 -19.269 -14.3945 23.5179 -19.5924 23.5179 26.9684 GPRESSAVG: 4858000 -28.5161 -21.4613 -18.1157 -17.753 -15.339 24.4095 -20.6664 22.7414 28.1901 TIMING: 4858000 CPU: 15441.1, 0.00321144/step Wall: 15441.1, 0.00321144/step, 0.126673 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4858000 4086.5422 20484.2679 14508.6733 246.8002 -203752.5643 2735.1452 0.0000 0.0000 51827.4752 -109863.6604 297.8532 -161691.1356 -109506.4954 298.9257 114.5929 135.8199 760392.5276 -5.4447 -5.2217 PRESSURE: 4858200 -233.064 -371.119 -103.376 -371.119 -217.035 100.771 -103.376 100.772 -115.224 GPRESSURE: 4858200 -145.482 -352.724 -225.791 -345.404 -173.442 101.121 -27.6395 150.988 -168.206 PRESSAVG: 4858200 43.1937 -49.2371 39.1243 -49.2371 4.95504 59.1508 39.1242 59.1508 0.195196 GPRESSAVG: 4858200 44.6568 -49.9048 37.2708 -49.1032 4.18725 60.1334 39.3103 58.662 -0.086026 TIMING: 4858200 CPU: 15441.8, 0.00322191/step Wall: 15441.8, 0.00322191/step, 0.126907 hours remaining, 237.902344 MB of memory in use. ENERGY: 4858200 4011.4472 20421.9895 14507.5132 240.0022 -203655.1053 2519.7766 0.0000 0.0000 52125.9839 -109828.3926 299.5687 -161954.3766 -109467.7272 298.3984 -188.4411 -162.3768 760061.8532 16.1147 16.2527 PRESSURE: 4858400 -1.42598 -102.529 6.16195 -102.529 47.8122 -404.638 6.16134 -404.639 -605.698 GPRESSURE: 4858400 -51.5065 -101.106 40.1165 -162.485 46.723 -323.13 -32.3074 -354.257 -493.158 PRESSAVG: 4858400 0.583664 -78.6163 -12.284 -78.6163 1.60319 4.47176 -12.284 4.4718 -14.2453 GPRESSAVG: 4858400 0.217112 -75.9769 -12.1473 -80.1881 1.62501 4.22211 -11.878 4.926 -14.1284 TIMING: 4858400 CPU: 15442.4, 0.00324094/step Wall: 15442.4, 0.00324094/step, 0.127477 hours remaining, 237.902344 MB of memory in use. ENERGY: 4858400 3928.6963 20395.2773 14481.5870 262.4994 -203371.2881 2484.6841 0.0000 0.0000 51920.2025 -109898.3414 298.3861 -161818.5439 -109534.5798 298.1570 -186.4374 -165.9805 760486.7473 -4.0195 -4.0954 PRESSURE: 4858600 -460.093 -391.926 -125.447 -391.925 -63.0166 -149.849 -125.446 -149.848 316.845 GPRESSURE: 4858600 -376.43 -233.243 -53.8565 -300.993 -13.529 -186.426 -148.855 -177.225 272.866 PRESSAVG: 4858600 38.935 -51.6405 -36.628 -51.6405 3.62655 -75.9838 -36.6279 -75.9839 -3.05209 GPRESSAVG: 4858600 37.0658 -52.4763 -35.5088 -49.4192 6.11069 -75.0524 -36.5555 -76.9503 -4.08202 TIMING: 4858600 CPU: 15443.1, 0.00323443/step Wall: 15443.1, 0.00323443/step, 0.127041 hours remaining, 237.902344 MB of memory in use. ENERGY: 4858600 4005.6026 20348.6497 14423.9130 250.3275 -203244.9511 2442.5550 0.0000 0.0000 52010.8769 -109763.0264 298.9072 -161773.9033 -109394.4882 298.8700 -68.7548 -39.0308 760158.9203 13.1698 13.0315 PRESSURE: 4858800 -166.836 -218.378 -190.071 -218.378 -121.726 11.574 -190.071 11.5739 29.515 GPRESSURE: 4858800 -63.0811 -207.619 -131.753 -156.907 -175.203 99.5399 -301.65 -7.95833 38.205 PRESSAVG: 4858800 -18.8774 -27.5425 -54.4182 -27.5425 -0.699151 -4.82601 -54.4182 -4.82598 -1.89078 GPRESSAVG: 4858800 -16.2128 -28.5155 -54.1512 -27.7492 -2.96191 -6.2674 -55.019 -3.55077 -1.88852 TIMING: 4858800 CPU: 15443.7, 0.00320398/step Wall: 15443.7, 0.00320398/step, 0.125667 hours remaining, 237.902344 MB of memory in use. ENERGY: 4858800 3937.3959 20517.2249 14475.8419 258.5417 -203365.2432 2719.7234 0.0000 0.0000 51660.0907 -109796.4247 296.8913 -161456.5154 -109450.4684 298.7644 -86.3490 -66.6932 760816.7773 -7.1558 -7.0211 PRESSURE: 4859000 -143.872 -99.9516 43.9003 -99.9516 122.842 -96.9687 43.8987 -96.9678 149.89 GPRESSURE: 4859000 -46.8058 -76.4197 56.7356 -227.99 147.168 -87.156 -50.313 -144.627 88.8295 PRESSAVG: 4859000 -40.5776 -39.0974 -37.8516 -39.0974 3.28251 2.13282 -37.8515 2.13285 -11.0531 GPRESSAVG: 4859000 -40.4942 -38.2664 -38.2719 -39.8741 2.83925 2.09615 -38.4678 1.70298 -10.8524 TIMING: 4859000 CPU: 15444.3, 0.00321686/step Wall: 15444.3, 0.00321686/step, 0.125994 hours remaining, 237.902344 MB of memory in use. ENERGY: 4859000 3896.6714 20571.9017 14518.1596 265.8133 -203188.3362 2485.5285 0.0000 0.0000 51709.0033 -109741.2584 297.1724 -161450.2617 -109387.5704 298.6765 42.9535 63.0639 760565.9595 -16.1161 -16.1691 PRESSURE: 4859200 204.354 45.9481 246.184 45.9485 1.18811 93.7429 246.183 93.7439 -66.0447 GPRESSURE: 4859200 314.02 18.4416 172.266 -7.95844 17.7359 -63.3926 142.846 85.0989 -88.7388 PRESSAVG: 4859200 57.1003 -59.2471 -20.6009 -59.2471 -43.4075 -56.9316 -20.6009 -56.9316 17.1242 GPRESSAVG: 4859200 56.6828 -58.855 -21.2471 -58.9352 -43.7039 -58.6024 -20.7863 -56.68 17.5166 TIMING: 4859200 CPU: 15445, 0.00325111/step Wall: 15445, 0.00325111/step, 0.127155 hours remaining, 237.902344 MB of memory in use. ENERGY: 4859200 3999.6452 20467.3990 14543.7877 242.9932 -203480.7206 2503.1198 0.0000 0.0000 51997.9292 -109725.8463 298.8328 -161723.7756 -109370.0078 298.2164 46.4990 81.0058 760119.1303 10.2723 10.1652 PRESSURE: 4859400 53.0564 -23.7908 238.891 -23.7904 -135.006 -102.751 238.89 -102.751 -419.926 GPRESSURE: 4859400 90.0325 -41.8827 109.329 -93.5517 -138.246 -113.04 179.747 -70.1656 -346.473 PRESSAVG: 4859400 93.593 -67.8468 -47.1571 -67.8468 -28.0303 -18.9379 -47.1572 -18.938 20.434 GPRESSAVG: 4859400 94.1119 -67.8627 -46.4133 -70.0694 -28.4165 -17.9418 -47.1014 -19.0988 20.8316 TIMING: 4859400 CPU: 15445.7, 0.00325165/step Wall: 15445.7, 0.00325165/step, 0.126995 hours remaining, 237.902344 MB of memory in use. ENERGY: 4859400 3960.8883 20488.2398 14551.1682 241.1995 -203190.9768 2338.3028 0.0000 0.0000 51989.8388 -109621.3393 298.7863 -161611.1781 -109257.2534 299.0037 -167.2919 -131.5623 759861.2414 28.6656 28.8423 PRESSURE: 4859600 -240.612 -37.1729 -198.062 -37.1731 -159.17 114.208 -198.062 114.206 207.81 GPRESSURE: 4859600 -175.855 -64.8737 -106.7 41.8733 -118.916 103.76 -205.302 97.5292 185.117 PRESSAVG: 4859600 24.6746 -0.0647261 -39.722 -0.0647468 -9.08236 14.7172 -39.722 14.7173 14.0175 GPRESSAVG: 4859600 24.6822 -0.163055 -40.0606 2.88372 -8.85356 14.7471 -39.1664 16.0209 13.8416 TIMING: 4859600 CPU: 15446.3, 0.00319949/step Wall: 15446.3, 0.00319949/step, 0.12478 hours remaining, 237.902344 MB of memory in use. ENERGY: 4859600 3966.8415 20522.3804 14486.1599 232.5548 -203115.4200 2531.6883 0.0000 0.0000 52089.9701 -109285.8249 299.3618 -161375.7951 -108925.7767 299.5617 -63.9906 -36.5517 759550.5837 9.8699 9.8901 PRESSURE: 4859800 -69.4518 25.7042 143.246 25.7057 -310.017 63.6464 143.245 63.6464 43.8931 GPRESSURE: 4859800 -96.8757 -43.1665 145.098 64.5572 -250.181 48.0805 90.1738 89.2262 99.1142 PRESSAVG: 4859800 74.3837 -52.7934 69.0111 -52.7934 -42.8142 2.86436 69.0111 2.8643 -26.1314 GPRESSAVG: 4859800 74.1705 -52.5289 68.7363 -55.6625 -42.8818 2.28936 67.2021 3.09876 -25.2194 TIMING: 4859800 CPU: 15446.9, 0.00321297/step Wall: 15446.9, 0.00321297/step, 0.125127 hours remaining, 237.902344 MB of memory in use. ENERGY: 4859800 3910.9722 20404.3710 14503.6741 228.8559 -203272.3799 2554.6872 0.0000 0.0000 52295.5386 -109374.2809 300.5432 -161669.8195 -109001.4703 299.5861 -111.8585 -82.6474 761047.4633 1.8127 2.0231 PRESSURE: 4860000 -39.5698 131.656 -208.963 131.656 -60.2044 -143.985 -208.964 -143.984 -194.916 GPRESSURE: 4860000 77.7882 13.3421 -161.938 51.556 -95.0397 -54.5257 -248.305 -48.1847 -190.803 PRESSAVG: 4860000 21.9486 -24.1015 28.803 -24.1015 -3.05147 14.9978 28.803 14.9978 -3.63868 GPRESSAVG: 4860000 22.5051 -25.1144 28.1041 -23.2357 -3.09658 15.7618 32.2044 16.1418 -3.97073 TIMING: 4860000 CPU: 15447.6, 0.00321141/step Wall: 15447.6, 0.00321141/step, 0.124888 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4860000 3969.4290 20516.4018 14478.9840 241.3843 -203283.4108 2585.7120 0.0000 0.0000 51999.7012 -109491.7986 298.8430 -161491.4997 -109139.4280 298.9918 -98.2300 -69.3515 760353.4925 5.0862 5.1459 PRESSURE: 4860200 86.2734 -24.6205 87.2449 -24.6205 5.85213 262.672 87.2447 262.672 63.8227 GPRESSURE: 4860200 127.878 -87.0788 46.9483 97.9615 27.4617 247.934 36.1782 85.0826 84.3103 PRESSAVG: 4860200 -16.5487 -29.1886 41.7547 -29.1886 -39.5157 14.4261 41.7547 14.4261 5.33414 GPRESSAVG: 4860200 -16.3275 -28.9542 42.0585 -29.2476 -38.1632 14.2444 39.5479 10.8428 3.59428 TIMING: 4860200 CPU: 15448.2, 0.00321451/step Wall: 15448.2, 0.00321451/step, 0.12483 hours remaining, 237.902344 MB of memory in use. ENERGY: 4860200 3991.2429 20437.8619 14521.6649 242.9924 -203244.0433 2426.2203 0.0000 0.0000 52052.1774 -109571.8835 299.1446 -161624.0610 -109206.9852 298.5636 51.9828 79.8832 758558.5278 -16.9101 -16.9655 LDB: ============= START OF LOAD BALANCING ============== 15460.6 LDB: ============== END OF LOAD BALANCING =============== 15460.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15460.6 LDB: ============= START OF LOAD BALANCING ============== 15461 LDB: Largest compute 7025 load 0.037583 is 19.2% of average load 0.195980 LDB: Average compute 0.004414 is 2.3% of average load 0.195980 LDB: TIME 15461 LOAD: AVG 0.19598 MAX 0.219172 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.957 MB LDB: TIME 15461 LOAD: AVG 0.19598 MAX 0.219172 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: TIME 15461 LOAD: AVG 0.19598 MAX 0.218808 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: ============== END OF LOAD BALANCING =============== 15461 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15461 PRESSURE: 4860400 -354.691 -14.6526 20.5568 -14.6524 -5.82988 -9.95648 20.5568 -9.95748 -67.2634 GPRESSURE: 4860400 -288.702 -29.6882 88.3379 -43.6649 -43.4537 -109.371 -65.5205 -77.0482 -20.5605 PRESSAVG: 4860400 -25.0299 -49.7261 -1.59058 -49.7261 -8.39058 18.9561 -1.59052 18.9562 5.57792 GPRESSAVG: 4860400 -26.257 -50.3967 0.162486 -48.3316 -9.17669 20.0035 -1.50421 19.416 7.72884 TIMING: 4860400 CPU: 15448.9, 0.00330959/step Wall: 15448.9, 0.00330959/step, 0.128338 hours remaining, 238.613281 MB of memory in use. ENERGY: 4860400 3960.3472 20349.0543 14479.8890 245.1373 -202844.0874 2257.5253 0.0000 0.0000 51929.0170 -109623.1173 298.4368 -161552.1343 -109265.1464 298.7000 -142.5948 -117.5721 760953.3356 -9.2808 -9.2350 PRESSURE: 4860600 -712.961 -266.881 -110.829 -266.881 -240.602 89.9005 -110.829 89.9001 -370.1 GPRESSURE: 4860600 -527.758 -213.348 -25.0563 -224.574 -162.054 38.7714 -144.013 97.9466 -550.868 PRESSAVG: 4860600 -19.1306 -57.1353 -13.1515 -57.1353 19.8809 42.7362 -13.1515 42.7362 -14.9888 GPRESSAVG: 4860600 -18.2146 -56.4353 -13.0488 -57.7709 20.1357 40.9883 -12.9137 43.784 -15.9329 TIMING: 4860600 CPU: 15449.5, 0.00324028/step Wall: 15449.5, 0.00324028/step, 0.125471 hours remaining, 238.816406 MB of memory in use. ENERGY: 4860600 4024.1909 20522.7818 14406.5142 264.0515 -202867.8620 2243.7569 0.0000 0.0000 51901.0152 -109505.5517 298.2758 -161406.5669 -109159.0541 298.5841 -441.2209 -413.5601 762145.0723 -4.7462 -4.6706 PRESSURE: 4860800 -15.7306 13.7165 -231.021 13.7156 320.981 23.6854 -231.022 23.6851 97.7669 GPRESSURE: 4860800 -67.6779 36.7741 -182.599 -21.55 355.887 -92.1831 -220.225 31.4714 188.683 PRESSAVG: 4860800 24.5683 -35.2326 -46.9513 -35.2327 14.9189 5.81469 -46.9513 5.8146 7.82892 GPRESSAVG: 4860800 22.4774 -37.1169 -46.8802 -34.7022 15.6851 6.16807 -49.1384 5.46805 9.06943 TIMING: 4860800 CPU: 15450.2, 0.00322586/step Wall: 15450.2, 0.00322586/step, 0.124733 hours remaining, 238.816406 MB of memory in use. ENERGY: 4860800 3932.4028 20296.8185 14436.0058 256.0428 -203030.8695 2555.3276 0.0000 0.0000 52148.9750 -109405.2970 299.7009 -161554.2720 -109037.1633 299.3492 134.3391 158.9641 759801.7730 15.7720 15.7440 PRESSURE: 4861000 202.491 64.4841 50.3449 64.4838 287.781 61.638 50.3452 61.6379 109.544 GPRESSURE: 4861000 306.648 74.4175 -52.6822 -39.3869 249.57 183.34 138.702 91.5489 137.221 PRESSAVG: 4861000 46.4557 -28.8295 -37.7746 -28.8295 -2.24868 45.4608 -37.7745 45.4608 -2.69171 GPRESSAVG: 4861000 46.9726 -27.6407 -39.0192 -30.0835 -2.484 45.063 -36.2482 47.3769 -3.54805 TIMING: 4861000 CPU: 15450.8, 0.00321511/step Wall: 15450.8, 0.00321511/step, 0.124139 hours remaining, 238.816406 MB of memory in use. ENERGY: 4861000 4043.2047 20403.4680 14527.6007 239.8604 -203213.5108 2643.1366 0.0000 0.0000 52113.4722 -109242.7682 299.4968 -161356.2405 -108874.4585 299.3943 199.9390 231.1461 760433.0822 13.8384 13.6468 PRESSURE: 4861200 -137.662 -125.473 -238.012 -125.473 132.687 -165.013 -238.012 -165.013 -242.346 GPRESSURE: 4861200 -102.859 -217.959 -325.037 -115.644 159.431 -122.158 -147.434 -146.016 -199.861 PRESSAVG: 4861200 26.6693 -57.3575 -69.0881 -57.3576 4.67475 -55.9444 -69.0881 -55.9445 -1.1341 GPRESSAVG: 4861200 27.0717 -58.4103 -69.8332 -56.4513 4.01608 -55.6823 -68.041 -58.2619 -1.24251 TIMING: 4861200 CPU: 15451.5, 0.00319807/step Wall: 15451.5, 0.00319807/step, 0.123304 hours remaining, 238.816406 MB of memory in use. ENERGY: 4861200 3930.8619 20478.3591 14536.9522 243.4060 -202984.0045 2431.7662 0.0000 0.0000 51962.9039 -109399.7552 298.6315 -161362.6591 -109035.7425 299.1277 -82.4406 -47.7633 759089.5353 10.0700 9.9484 PRESSURE: 4861400 -289.836 6.95467 -178.652 6.95524 -345.958 -54.1373 -178.652 -54.1367 136.246 GPRESSURE: 4861400 -314.121 41.6041 -239.857 -87.023 -194.403 -28.224 -276.525 -20.305 103.154 PRESSAVG: 4861400 -16.3846 -47.5124 -15.3725 -47.5124 -17.6789 -0.119266 -15.3725 -0.119381 -30.435 GPRESSAVG: 4861400 -17.6979 -45.2613 -14.689 -46.9732 -16.8385 1.31505 -16.529 1.05164 -30.2179 TIMING: 4861400 CPU: 15452.1, 0.00323426/step Wall: 15452.1, 0.00323426/step, 0.124519 hours remaining, 238.816406 MB of memory in use. ENERGY: 4861400 3838.0024 20435.2752 14545.4930 237.3016 -202561.7377 2030.0063 0.0000 0.0000 52143.5332 -109332.1260 299.6696 -161475.6592 -108969.2975 298.9237 -166.5160 -135.1233 759876.7521 -21.4995 -21.5848 PRESSURE: 4861600 271.897 -132.585 139.909 -132.585 -202.099 -402.587 139.909 -402.587 -212.402 GPRESSURE: 4861600 263.17 -173.658 244.489 -147.368 -178.915 -399.937 161.076 -200.277 -129.416 PRESSAVG: 4861600 31.6873 -51.5801 -35.5446 -51.5802 -10.4598 -54.9369 -35.5446 -54.937 26.5845 GPRESSAVG: 4861600 31.85 -52.293 -35.6493 -52.0391 -11.4833 -57.4569 -33.923 -54.1388 26.9899 TIMING: 4861600 CPU: 15452.7, 0.00319896/step Wall: 15452.7, 0.00319896/step, 0.122982 hours remaining, 238.816406 MB of memory in use. ENERGY: 4861600 3947.1771 20407.3963 14590.1301 252.9601 -202791.6380 2142.7082 0.0000 0.0000 52211.2374 -109240.0287 300.0587 -161451.2661 -108874.5427 299.5865 -47.5345 -15.0537 759788.8030 15.9373 15.7856 PRESSURE: 4861800 101.69 -67.899 179.876 -67.8987 9.4546 155.833 179.876 155.833 -68.481 GPRESSURE: 4861800 211.359 -126.614 135.708 -185.504 -56.5919 251.567 97.9812 60.2427 -6.13303 PRESSAVG: 4861800 -27.6015 -18.3384 0.525937 -18.3384 20.8304 -26.3499 0.525937 -26.35 -3.44633 GPRESSAVG: 4861800 -25.3973 -18.397 1.53916 -19.8882 19.4225 -24.4046 -0.659565 -28.8273 -4.06544 TIMING: 4861800 CPU: 15453.4, 0.00320416/step Wall: 15453.4, 0.00320416/step, 0.123004 hours remaining, 238.816406 MB of memory in use. ENERGY: 4861800 3938.6600 20371.0149 14543.4853 261.0250 -202585.8691 2442.1646 0.0000 0.0000 51863.2210 -109166.2983 298.0586 -161029.5193 -108805.3788 299.0058 14.2213 49.5446 760862.9955 -3.4058 -3.3467 PRESSURE: 4862000 -177.116 -135.303 57.0932 -135.304 247.981 -17.3492 57.0947 -17.3498 25.6293 GPRESSURE: 4862000 -182.402 -307.588 39.3372 -122.699 280.095 -53.4783 118.52 78.1621 92.3262 PRESSAVG: 4862000 -55.1456 -8.01038 -16.1374 -8.01033 -0.453203 -13.5561 -16.1374 -13.5561 14.1833 GPRESSAVG: 4862000 -55.3878 -9.53973 -17.1938 -7.27807 -1.20324 -12.4717 -14.7115 -15.1269 15.0997 TIMING: 4862000 CPU: 15454, 0.00321569/step Wall: 15454, 0.00321569/step, 0.123268 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4862000 3976.0284 20266.8648 14440.8657 245.4548 -203017.6621 2643.4115 0.0000 0.0000 52087.4857 -109357.5512 299.3475 -161445.0370 -108991.5563 299.0052 32.1646 63.3396 761109.4123 -13.8052 -13.8304 PRESSURE: 4862200 358.84 150.593 -60.8206 150.593 194.362 -11.5053 -60.8205 -11.5046 16.2181 GPRESSURE: 4862200 381.128 201.946 -64.4731 39.493 279.684 -20.3185 -119.377 -42.1575 -23.8118 PRESSAVG: 4862200 26.9539 25.6489 9.34231 25.6488 -27.0662 -14.6212 9.34238 -14.6212 -4.48227 GPRESSAVG: 4862200 24.2687 26.1462 9.16321 27.2438 -24.8864 -17.2458 9.29479 -10.9083 -3.99432 TIMING: 4862200 CPU: 15454.7, 0.00322635/step Wall: 15454.7, 0.00322635/step, 0.123497 hours remaining, 238.816406 MB of memory in use. ENERGY: 4862200 3890.1642 20169.9323 14524.8163 265.0000 -202621.2204 2245.0671 0.0000 0.0000 52012.1342 -109514.1062 298.9145 -161526.2404 -109151.1709 298.9842 189.8067 212.3333 759729.9960 -1.5315 -1.5373 PRESSURE: 4862400 2.31794 40.1565 -121.912 40.1556 -39.7436 101.844 -121.911 101.844 -9.95764 GPRESSURE: 4862400 123.03 -41.1457 -46.011 37.363 -166.563 83.2098 -167.145 100.417 64.0255 PRESSAVG: 4862400 -11.8123 -53.7814 -9.01976 -53.7814 19.6325 16.2406 -9.01972 16.2407 37.6965 GPRESSAVG: 4862400 -11.0192 -55.1268 -6.9776 -53.3757 19.6744 17.0823 -10.6417 14.4538 36.702 TIMING: 4862400 CPU: 15455.3, 0.00319883/step Wall: 15455.3, 0.00319883/step, 0.122266 hours remaining, 238.816406 MB of memory in use. ENERGY: 4862400 3970.1857 20535.1907 14454.5814 263.1479 -202827.4571 2276.8214 0.0000 0.0000 51878.7933 -109448.7366 298.1481 -161327.5299 -109095.1252 299.0859 -15.7944 6.8308 759784.5651 15.1722 15.1191 PRESSURE: 4862600 -64.736 -158.144 308.088 -158.144 -157.379 89.5696 308.088 89.5698 170.237 GPRESSURE: 4862600 -60.5044 -117.39 321.251 -64.8668 21.1909 11.6649 153.164 95.175 72.6456 PRESSAVG: 4862600 32.5069 -67.6154 -2.0849 -67.6154 -16.071 34.4919 -2.08491 34.4919 7.2662 GPRESSAVG: 4862600 35.3633 -64.8346 -2.97563 -69.8633 -17.2701 36.2404 -1.92951 35.0297 5.33451 TIMING: 4862600 CPU: 15456, 0.00321905/step Wall: 15456, 0.00321905/step, 0.12286 hours remaining, 238.816406 MB of memory in use. ENERGY: 4862600 4053.9154 20323.1955 14473.2033 240.1377 -202890.8994 2215.3805 0.0000 0.0000 51963.6034 -109621.4636 298.6355 -161585.0670 -109256.9022 298.5933 -17.2925 11.1107 760434.6661 7.9007 7.8093 PRESSURE: 4862800 50.9611 84.1321 85.4323 84.1322 108.881 -52.7305 85.4312 -52.7304 409.525 GPRESSURE: 4862800 -14.854 21.8278 82.6503 67.2605 251.564 -102.421 172.666 -90.4718 416.63 PRESSAVG: 4862800 63.0059 -1.61223 24.7714 -1.61224 -51.4266 -7.14128 24.7714 -7.1413 5.69815 GPRESSAVG: 4862800 60.3887 -1.81244 24.407 -0.772031 -50.8522 -8.5391 26.8882 -8.23746 7.57858 TIMING: 4862800 CPU: 15456.6, 0.00320611/step Wall: 15456.6, 0.00320611/step, 0.122188 hours remaining, 238.816406 MB of memory in use. ENERGY: 4862800 3933.8704 20298.4416 14568.3490 262.6073 -203412.4783 2737.9476 0.0000 0.0000 51961.1329 -109650.1294 298.6213 -161611.2623 -109294.9000 298.6270 189.7888 217.7799 760553.0189 5.7592 5.7050 PRESSURE: 4863000 -66.0444 -102.9 -335.639 -102.9 -199.042 -48.5143 -335.638 -48.5146 -101.52 GPRESSURE: 4863000 -107.739 -58.5096 -314.104 -124.577 -88.9792 -13.7469 -134.867 -195.941 -67.1073 PRESSAVG: 4863000 97.0627 -38.3429 5.02532 -38.3429 -82.3405 7.59638 5.02533 7.5964 -21.4865 GPRESSAVG: 4863000 96.3785 -37.6028 5.45883 -38.0165 -82.5117 7.97094 3.64407 7.4457 -20.753 TIMING: 4863000 CPU: 15457.2, 0.00322357/step Wall: 15457.2, 0.00322357/step, 0.122675 hours remaining, 238.816406 MB of memory in use. ENERGY: 4863000 3960.1802 20431.6652 14476.8943 248.3441 -203135.2033 2376.7738 0.0000 0.0000 51858.2378 -109783.1079 298.0300 -161641.3457 -109432.0519 298.7148 -122.2021 -87.9419 761265.2765 -2.2548 -2.2954 PRESSURE: 4863200 444.042 -39.8481 3.06395 -39.8479 -308.518 204.467 3.06314 204.466 385.961 GPRESSURE: 4863200 381.342 -53.0874 113.154 9.55966 -273.935 160.298 1.82983 131.632 504.111 PRESSAVG: 4863200 30.3478 -26.8814 -11.3146 -26.8815 -5.07196 14.8503 -11.3146 14.8503 11.5785 GPRESSAVG: 4863200 30.346 -28.0245 -10.9649 -26.8305 -4.76191 13.8637 -11.4745 14.5407 11.6385 TIMING: 4863200 CPU: 15457.9, 0.00320459/step Wall: 15457.9, 0.00320459/step, 0.121774 hours remaining, 238.816406 MB of memory in use. ENERGY: 4863200 3963.0325 20240.7690 14479.1132 256.5115 -203227.3642 2425.8037 0.0000 0.0000 52251.8962 -109610.2382 300.2924 -161862.1344 -109240.5787 298.6036 173.8285 203.8394 760377.5875 12.2848 12.4075 PRESSURE: 4863400 -360.411 22.8046 -98.7035 22.8049 -157.085 2.29923 -98.7039 2.29916 -75.6785 GPRESSURE: 4863400 -268.346 -26.2017 -64.863 85.7458 -179.916 21.0313 -79.0043 1.07489 -69.7286 PRESSAVG: 4863400 52.3428 -0.162334 -11.237 -0.162361 -74.4269 64.9078 -11.2369 64.9077 -17.8295 GPRESSAVG: 4863400 51.8339 -0.980941 -9.86817 -0.272822 -73.9451 66.6318 -11.2546 65.3896 -17.981 TIMING: 4863400 CPU: 15458.5, 0.00321034/step Wall: 15458.5, 0.00321034/step, 0.121814 hours remaining, 238.816406 MB of memory in use. ENERGY: 4863400 4034.9081 20315.6774 14432.1880 247.4271 -203102.3568 2349.7947 0.0000 0.0000 52049.7602 -109672.6014 299.1307 -161722.3616 -109312.9911 298.7072 -197.7250 -172.6635 760812.1058 -13.3045 -13.3641 PRESSURE: 4863600 406.087 72.4448 93.993 72.4458 101.88 -121.651 93.9933 -121.651 -72.0385 GPRESSURE: 4863600 385.153 44.9114 170.132 -110.121 194.534 -71.618 192.04 -191.953 -46.5624 PRESSAVG: 4863600 8.43781 -6.60328 -55.0678 -6.60318 -17.2674 -0.173882 -55.0678 -0.173877 4.54843 GPRESSAVG: 4863600 8.81092 -4.16213 -57.0079 -5.3509 -18.5822 -0.617855 -53.6917 -0.624974 4.83095 TIMING: 4863600 CPU: 15459.2, 0.00320748/step Wall: 15459.2, 0.00320748/step, 0.121528 hours remaining, 238.816406 MB of memory in use. ENERGY: 4863600 3942.8673 20343.2059 14502.1650 238.8248 -203556.4898 2738.1417 0.0000 0.0000 52171.0999 -109620.1852 299.8280 -161791.2850 -109259.1572 298.6418 145.3095 177.7082 757521.3344 -1.4270 -1.6468 PRESSURE: 4863800 40.647 -86.6189 393.093 -86.6193 -455.131 217.049 393.093 217.048 -388.513 GPRESSURE: 4863800 69.3295 -38.4211 447.62 -70.5944 -470.163 221.333 301.826 163.505 -324.966 PRESSAVG: 4863800 -3.08554 -43.6704 13.2338 -43.6703 -5.53366 -10.392 13.2338 -10.392 -9.20978 GPRESSAVG: 4863800 -1.9266 -46.2485 13.99 -44.05 -5.48775 -9.72909 11.9879 -11.8363 -9.90515 TIMING: 4863800 CPU: 15459.8, 0.0032009/step Wall: 15459.8, 0.0032009/step, 0.121101 hours remaining, 238.816406 MB of memory in use. ENERGY: 4863800 4023.1333 20581.9284 14512.8068 255.2372 -203371.7863 2405.5235 0.0000 0.0000 52078.7733 -109514.3838 299.2974 -161593.1571 -109150.7048 299.2962 -267.6657 -241.9332 760157.7925 -5.9430 -5.7732 PRESSURE: 4864000 1.56514 80.6802 -73.6718 80.6804 100.396 -32.713 -73.6723 -32.7136 287.379 GPRESSURE: 4864000 30.0104 44.7695 8.839 91.3682 120.477 33.7693 -156.838 -25.4656 316.085 PRESSAVG: 4864000 -48.7065 -52.6558 -15.7534 -52.6557 54.7416 -40.5659 -15.7534 -40.5658 8.37787 GPRESSAVG: 4864000 -48.9717 -51.4516 -15.2614 -53.2423 55.3799 -41.2237 -16.7268 -37.9191 7.77195 TIMING: 4864000 CPU: 15460.4, 0.00321116/step Wall: 15460.4, 0.00321116/step, 0.121311 hours remaining, 238.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4864000 3982.6460 20468.9409 14510.1173 222.2167 -203784.6878 2846.8260 0.0000 0.0000 52020.3193 -109733.6216 298.9615 -161753.9409 -109377.2100 299.0444 129.7801 155.5244 759969.1445 4.8043 4.7267 PRESSURE: 4864200 -90.4053 -108.386 -194.461 -108.384 -31.9655 -118.828 -194.461 -118.828 -140.824 GPRESSURE: 4864200 -57.4264 -116.204 -328.512 -134.322 -24.7494 -152.354 -121.344 -24.577 -78.3704 PRESSAVG: 4864200 3.55211 -46.1504 -87.2916 -46.1503 2.23306 -27.3214 -87.2917 -27.3215 8.86519 GPRESSAVG: 4864200 4.43259 -48.5435 -89.4463 -44.1825 1.83851 -26.3981 -85.7926 -30.9356 8.90213 TIMING: 4864200 CPU: 15461.1, 0.00321617/step Wall: 15461.1, 0.00321617/step, 0.121321 hours remaining, 238.816406 MB of memory in use. ENERGY: 4864200 3977.4221 20359.9974 14550.6150 224.5772 -202904.1469 2184.8884 0.0000 0.0000 51852.6461 -109754.0008 297.9979 -161606.6469 -109382.9018 298.1827 -87.7317 -53.5154 760843.3442 4.8835 5.0577 LDB: ============= START OF LOAD BALANCING ============== 15473.5 LDB: ============== END OF LOAD BALANCING =============== 15473.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15473.5 LDB: ============= START OF LOAD BALANCING ============== 15473.8 LDB: Largest compute 7025 load 0.035596 is 18.2% of average load 0.195874 LDB: Average compute 0.004418 is 2.3% of average load 0.195874 LDB: TIME 15473.8 LOAD: AVG 0.195874 MAX 0.221854 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.332 MB LDB: TIME 15473.8 LOAD: AVG 0.195874 MAX 0.221854 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.535 MB LDB: TIME 15473.8 LOAD: AVG 0.195874 MAX 0.221854 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15473.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15473.8 PRESSURE: 4864400 -60.2721 3.36506 -144.107 3.36474 -94.1322 -185.454 -144.108 -185.454 364.106 GPRESSURE: 4864400 41.0091 17.6805 -118.461 -19.9246 -85.8529 -218.38 -126.31 -22.3852 325.418 PRESSAVG: 4864400 -37.9081 -7.33635 -44.9736 -7.33636 58.3831 4.31686 -44.9736 4.31685 14.5439 GPRESSAVG: 4864400 -36.9309 -6.1003 -44.5108 -8.52106 58.5508 1.7566 -46.7595 6.29749 13.3369 TIMING: 4864400 CPU: 15461.7, 0.00329233/step Wall: 15461.7, 0.00329233/step, 0.124011 hours remaining, 239.125000 MB of memory in use. ENERGY: 4864400 3976.7651 20529.4412 14481.0149 253.2766 -203401.1630 2645.8649 0.0000 0.0000 51824.5386 -109690.2617 297.8363 -161514.8003 -109329.0293 298.3187 69.9006 93.5248 760338.2913 11.6729 11.6523 PRESSURE: 4864600 -129.718 -143.501 -88.016 -143.503 -49.6622 -21.1627 -88.0161 -21.1624 -24.1856 GPRESSURE: 4864600 -17.5137 -86.1741 -110.669 -79.6482 -44.5605 -43.4709 -36.3902 26.1499 -39.0709 PRESSAVG: 4864600 33.1252 -14.1421 -61.7562 -14.1421 -47.6675 35.3822 -61.7563 35.3822 8.63728 GPRESSAVG: 4864600 31.8854 -14.8462 -61.0043 -14.5655 -46.7451 35.8602 -57.897 37.1319 8.97402 TIMING: 4864600 CPU: 15462.4, 0.00319499/step Wall: 15462.4, 0.00319498/step, 0.120167 hours remaining, 239.328125 MB of memory in use. ENERGY: 4864600 3944.8390 20409.9698 14503.3290 253.4448 -203562.5718 2626.4834 0.0000 0.0000 51998.3183 -109826.1877 298.8350 -161824.5059 -109455.7194 299.0030 -67.8554 -33.7150 760492.2361 -1.9683 -1.9619 PRESSURE: 4864800 -144.195 -15.9419 95.6254 -15.9417 35.9187 -99.9812 95.6259 -99.981 -20.7969 GPRESSURE: 4864800 -106.303 -32.5086 78.2942 88.3878 -2.77205 -59.5793 102.628 -218.084 75.4774 PRESSAVG: 4864800 33.9431 18.9588 -2.39206 18.9588 -22.8666 -21.7682 -2.39202 -21.7682 -12.2407 GPRESSAVG: 4864800 35.06 18.5646 -0.85336 19.8625 -24.4448 -21.1305 -5.28118 -22.3297 -11.5987 TIMING: 4864800 CPU: 15463, 0.00319249/step Wall: 15463, 0.00319249/step, 0.119896 hours remaining, 239.328125 MB of memory in use. ENERGY: 4864800 3998.8596 20421.1929 14492.6097 241.5762 -203587.1864 2619.4197 0.0000 0.0000 52136.1741 -109677.3543 299.6273 -161813.5284 -109309.5346 299.1653 -43.0243 -11.1993 760931.9456 -0.3881 -0.3278 PRESSURE: 4865000 241.887 -179.35 -61.668 -179.35 146.949 -306.855 -61.6683 -306.855 58.8242 GPRESSURE: 4865000 279.464 -92.687 -89.1432 -207.002 155.748 -148.306 -16.0086 -226.574 96.019 PRESSAVG: 4865000 -6.70187 -34.4065 -0.155336 -34.4065 5.27835 -25.6599 -0.155316 -25.6598 19.1406 GPRESSAVG: 4865000 -7.36981 -32.0458 -2.11519 -35.0457 6.54134 -23.3002 0.481015 -26.4943 18.7114 TIMING: 4865000 CPU: 15463.7, 0.00319719/step Wall: 15463.7, 0.00319719/step, 0.119895 hours remaining, 239.328125 MB of memory in use. ENERGY: 4865000 4023.0320 20502.4347 14488.2021 241.7794 -203739.2779 2865.6125 0.0000 0.0000 51906.3034 -109711.9139 298.3062 -161618.2173 -109359.9738 299.0592 149.2199 177.0769 761337.5189 5.9057 5.9610 PRESSURE: 4865200 246.958 171.408 14.2301 171.408 14.9455 155.604 14.2299 155.604 182.605 GPRESSURE: 4865200 204.802 96.8038 27.9227 179.661 77.6202 115.127 50.7419 172.6 253.88 PRESSAVG: 4865200 21.1875 -18.07 9.75571 -18.0701 -40.555 -15.4804 9.75568 -15.4803 4.67173 GPRESSAVG: 4865200 21.2741 -19.1303 9.63898 -16.2207 -40.5319 -18.4595 10.2918 -14.7553 4.71402 TIMING: 4865200 CPU: 15464.3, 0.00317356/step Wall: 15464.3, 0.00317356/step, 0.118832 hours remaining, 239.328125 MB of memory in use. ENERGY: 4865200 3939.7640 20384.1331 14471.5967 246.6286 -203477.8138 2528.0383 0.0000 0.0000 52034.5275 -109873.1255 299.0431 -161907.6530 -109507.4346 298.7041 148.1694 178.7672 759619.5004 -4.8986 -4.8479 PRESSURE: 4865400 210.024 -289.618 18.3232 -289.617 -12.2414 20.4474 18.323 20.4459 -272.518 GPRESSURE: 4865400 182.885 -256.524 38.1014 -261.483 31.9979 25.791 -52.3723 -2.12734 -208.168 PRESSAVG: 4865400 53.6047 -12.4569 47.8371 -12.4569 -15.7455 15.0981 47.8371 15.0982 5.13379 GPRESSAVG: 4865400 53.4733 -13.7536 49.0871 -14.1099 -15.6117 16.2832 48.6215 13.9027 4.89881 TIMING: 4865400 CPU: 15464.9, 0.00320311/step Wall: 15464.9, 0.00320311/step, 0.119761 hours remaining, 239.328125 MB of memory in use. ENERGY: 4865400 4034.2761 20581.9171 14495.4672 243.0077 -203416.5922 2670.2902 0.0000 0.0000 51581.1510 -109810.4829 296.4376 -161391.6339 -109454.6999 298.2388 -24.9116 2.2385 759954.4509 14.3310 14.2535 PRESSURE: 4865600 41.8627 -40.2424 114.566 -40.2413 62.8166 99.5459 114.567 99.5462 414.681 GPRESSURE: 4865600 67.8229 24.0531 76.7962 -115.449 116.67 110.665 188.459 54.9463 419.571 PRESSAVG: 4865600 11.0986 -37.8334 20.0007 -37.8335 8.79692 -20.8053 20.0007 -20.8052 -3.03883 GPRESSAVG: 4865600 11.6275 -37.6979 19.1199 -39.277 7.94377 -21.5864 17.0785 -21.866 -3.01244 TIMING: 4865600 CPU: 15465.6, 0.00320519/step Wall: 15465.6, 0.00320519/step, 0.11966 hours remaining, 239.328125 MB of memory in use. ENERGY: 4865600 3970.4677 20474.0334 14479.5114 243.8824 -203873.5472 2781.9488 0.0000 0.0000 52006.9111 -109916.7925 298.8844 -161923.7036 -109552.9207 297.9966 173.1200 201.3546 759853.1213 5.6189 5.5196 PRESSURE: 4865800 -293.439 80.2503 -249.464 80.2508 265.169 -59.4217 -249.464 -59.4223 -91.2698 GPRESSURE: 4865800 -266.631 18.0748 -192.397 85.3814 313.315 -71.0318 -179.667 8.71436 -60.6001 PRESSAVG: 4865800 -20.6082 -15.0073 18.6359 -15.0073 50.5041 7.31038 18.6359 7.3104 -22.0912 GPRESSAVG: 4865800 -21.7275 -14.3601 19.1699 -12.5929 51.1965 7.67047 20.0187 8.20497 -21.8029 TIMING: 4865800 CPU: 15466.2, 0.00320237/step Wall: 15466.2, 0.00320237/step, 0.119377 hours remaining, 239.328125 MB of memory in use. ENERGY: 4865800 3913.2507 20487.7443 14391.1075 267.2506 -203256.3593 2443.3364 0.0000 0.0000 52164.3996 -109589.2702 299.7895 -161753.6698 -109220.7928 298.5189 -39.8464 -4.6389 761123.3966 2.6016 2.5553 PRESSURE: 4866000 76.4891 -71.1855 -133.948 -71.1858 -87.9668 13.9566 -133.948 13.9562 547.226 GPRESSURE: 4866000 68.9628 -138.219 -175.275 -57.1829 34.7634 -33.0622 -94.66 21.9944 525.16 PRESSAVG: 4866000 8.88721 28.4027 20.814 28.4027 -9.88415 -7.27774 20.814 -7.27768 5.22511 GPRESSAVG: 4866000 9.45107 26.5057 19.4365 27.4372 -9.16079 -6.75358 20.8551 -5.52558 3.81207 TIMING: 4866000 CPU: 15466.9, 0.00317669/step Wall: 15466.9, 0.00317669/step, 0.118243 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4866000 3946.4123 20520.4189 14459.6091 268.5556 -203625.7970 2693.3660 0.0000 0.0000 52210.3700 -109527.0652 300.0537 -161737.4352 -109168.0761 300.0525 178.5829 209.6289 758690.3847 1.4094 1.3674 PRESSURE: 4866200 151.605 -261.471 99.5141 -261.471 228.543 -12.4617 99.5141 -12.4615 -266.782 GPRESSURE: 4866200 183.849 -205.584 114.366 -265.661 169.177 -14.0535 80.8496 58.5946 -175.227 PRESSAVG: 4866200 34.1462 -35.8163 71.1132 -35.8163 -29.3252 7.76834 71.1131 7.76845 -30.8782 GPRESSAVG: 4866200 35.1472 -32.6567 70.9335 -36.2516 -30.3334 6.49427 71.7058 5.7746 -30.2903 TIMING: 4866200 CPU: 15467.5, 0.00318064/step Wall: 15467.5, 0.00318064/step, 0.118214 hours remaining, 239.328125 MB of memory in use. ENERGY: 4866200 4013.2499 20412.9423 14454.3094 250.7837 -203169.6524 2573.8644 0.0000 0.0000 52009.1377 -109455.3651 298.8972 -161464.5028 -109105.1990 299.2181 37.7889 59.2666 761209.4928 -8.6857 -8.4922 PRESSURE: 4866400 83.2963 15.2178 40.0067 15.2172 -234.184 16.5797 40.0063 16.58 222.217 GPRESSURE: 4866400 61.7106 -30.8274 83.0266 -99.2254 -159.046 4.89226 -32.3441 -42.3954 264.133 PRESSAVG: 4866400 -11.5155 2.15617 60.9256 2.15614 28.2117 -20.0852 60.9255 -20.0851 23.6526 GPRESSAVG: 4866400 -11.3405 1.04142 63.0009 2.71104 28.4215 -20.0065 61.5179 -18.8169 23.5121 TIMING: 4866400 CPU: 15468.1, 0.0031756/step Wall: 15468.1, 0.0031756/step, 0.11785 hours remaining, 239.328125 MB of memory in use. ENERGY: 4866400 3948.8343 20343.9966 14347.8367 257.8973 -202602.9651 2079.0488 0.0000 0.0000 52204.9091 -109420.4421 300.0223 -161625.3513 -109060.9766 299.3701 23.7763 55.5993 761342.7464 13.4496 13.5310 PRESSURE: 4866600 -316.244 -34.4706 -203.869 -34.4715 -280.582 -94.4062 -203.869 -94.4064 2.05767 GPRESSURE: 4866600 -215.977 105.372 -105.45 -99.8286 -205.694 -40.2958 -109.934 -197.014 -70.01 PRESSAVG: 4866600 38.9113 -2.78557 78.8013 -2.78563 -57.6772 11.5892 78.8014 11.5891 -21.0209 GPRESSAVG: 4866600 39.0241 -2.70195 79.4531 -1.90949 -57.6313 12.0363 78.0155 10.6405 -20.8369 TIMING: 4866600 CPU: 15468.8, 0.0032061/step Wall: 15468.8, 0.00320611/step, 0.118804 hours remaining, 239.328125 MB of memory in use. ENERGY: 4866600 4030.4676 20614.7173 14446.9223 257.1969 -202826.7563 2338.8935 0.0000 0.0000 51795.1581 -109343.4006 297.6675 -161138.5586 -108982.9365 299.3354 -198.2559 -163.8934 762645.4806 -13.2623 -13.1480 PRESSURE: 4866800 84.2361 -54.7779 263.34 -54.7773 60.6794 -14.0603 263.34 -14.0601 -55.047 GPRESSURE: 4866800 184.874 -91.1987 218.701 -21.0126 108.879 -89.9705 178.231 10.4219 -90.1024 PRESSAVG: 4866800 59.5574 -52.5853 50.3205 -52.5852 -55.5822 -22.9339 50.3206 -22.9339 12.2274 GPRESSAVG: 4866800 59.2722 -52.6631 50.2759 -51.8683 -54.6704 -23.7751 50.6009 -21.2471 12.3675 TIMING: 4866800 CPU: 15469.4, 0.00321352/step Wall: 15469.4, 0.00321352/step, 0.1189 hours remaining, 239.328125 MB of memory in use. ENERGY: 4866800 3937.6485 20526.0685 14457.3754 231.7718 -203019.1269 2533.7821 0.0000 0.0000 51981.7182 -109350.7624 298.7396 -161332.4806 -108992.1181 299.5271 29.9562 67.8837 761256.8784 5.4008 5.6564 PRESSURE: 4867000 106.453 147.726 -59.9113 147.727 106.976 8.23293 -59.9115 8.23157 -163.905 GPRESSURE: 4867000 138.682 101.097 -120.725 101.958 177.447 34.7712 -28.698 -42.5714 -159.563 PRESSAVG: 4867000 115.485 -29.6935 39.8232 -29.6934 -92.0815 -17.9877 39.8232 -17.9877 11.8281 GPRESSAVG: 4867000 115.567 -30.7205 38.0646 -29.5307 -94.0012 -17.3315 41.1147 -18.566 13.6804 TIMING: 4867000 CPU: 15470.1, 0.00320782/step Wall: 15470.1, 0.00320782/step, 0.118511 hours remaining, 239.328125 MB of memory in use. ENERGY: 4867000 3952.2757 20498.0007 14400.5090 243.3192 -203594.6227 2713.9059 0.0000 0.0000 52282.9480 -109503.6641 300.4708 -161786.6121 -109135.4719 299.4677 16.5081 52.1884 761499.6023 11.7438 11.7488 PRESSURE: 4867200 -250.017 -18.0946 -156.961 -18.0952 -308.363 -109.389 -156.961 -109.389 -551.644 GPRESSURE: 4867200 -225.426 40.5441 -152.451 100.39 -254.072 -138.679 -236.118 -15.9259 -529.083 PRESSAVG: 4867200 -33.3981 -17.6452 39.2849 -17.6452 10.1986 3.03609 39.285 3.03611 -2.04822 GPRESSAVG: 4867200 -32.8831 -17.9813 39.3115 -18.2226 12.4282 2.18225 38.1184 4.65515 -5.27914 TIMING: 4867200 CPU: 15470.7, 0.00320021/step Wall: 15470.7, 0.00320021/step, 0.118052 hours remaining, 239.328125 MB of memory in use. ENERGY: 4867200 4003.3322 20538.4188 14374.2547 254.9499 -203182.6597 2488.2166 0.0000 0.0000 51857.7377 -109665.7499 298.0271 -161523.4876 -109309.5195 299.2352 -370.0078 -336.1934 761221.9709 -8.4159 -8.5780 PRESSURE: 4867400 -298.229 16.1226 20.2022 16.123 -19.9713 -68.2544 20.2025 -68.2546 -351.923 GPRESSURE: 4867400 -136.167 14.1745 116.028 -11.7664 -81.8268 -35.5142 101.247 -170.342 -348.728 PRESSAVG: 4867400 -45.7788 -12.2857 42.3819 -12.2857 42.4278 -18.3821 42.3819 -18.3821 1.43229 GPRESSAVG: 4867400 -46.8876 -11.4832 43.0785 -13.187 41.9252 -15.5435 42.0664 -21.1115 3.11003 TIMING: 4867400 CPU: 15471.3, 0.00316905/step Wall: 15471.3, 0.00316905/step, 0.116727 hours remaining, 239.328125 MB of memory in use. ENERGY: 4867400 4040.1039 20614.4421 14385.4471 239.1035 -203226.6534 2476.3987 0.0000 0.0000 51950.5509 -109520.6073 298.5605 -161471.1581 -109166.5435 299.1025 -223.3743 -188.9071 759729.2043 -0.6396 -0.6175 PRESSURE: 4867600 144.506 -102.943 37.5146 -102.943 93.9218 -17.2318 37.5144 -17.2323 1.52843 GPRESSURE: 4867600 122.646 -20.4618 13.4958 -62.5084 122.719 -49.4767 0.56027 -136.248 102.232 PRESSAVG: 4867600 -5.43228 -36.3406 -0.0980487 -36.3406 -17.3353 7.07895 -0.0980909 7.079 -26.8564 GPRESSAVG: 4867600 -5.59887 -36.1444 -0.214949 -36.0131 -16.7743 6.4914 0.167667 8.72678 -27.3142 TIMING: 4867600 CPU: 15472, 0.00315118/step Wall: 15472, 0.00315118/step, 0.115893 hours remaining, 239.328125 MB of memory in use. ENERGY: 4867600 3978.0739 20612.8667 14460.4384 219.3646 -203433.8521 2809.3915 0.0000 0.0000 52045.3083 -109308.4087 299.1051 -161353.7170 -108942.0354 299.4720 79.9854 115.8656 760201.0104 -16.5413 -16.5625 PRESSURE: 4867800 26.4306 42.8816 -46.9011 42.8827 -118.191 146.596 -46.9002 146.596 -336.006 GPRESSURE: 4867800 12.4448 18.1749 -74.0663 24.831 -78.9407 185.855 30.0325 148.086 -283.065 PRESSAVG: 4867800 54.8882 0.082856 44.1861 0.0828867 -38.0456 46.0616 44.1861 46.0615 -10.8697 GPRESSAVG: 4867800 54.838 -0.828588 44.9089 -1.34517 -37.6325 46.7762 43.9225 45.0011 -11.1425 TIMING: 4867800 CPU: 15472.6, 0.00317625/step Wall: 15472.6, 0.00317625/step, 0.116639 hours remaining, 239.328125 MB of memory in use. ENERGY: 4867800 4007.4022 20692.7454 14555.8842 236.0179 -203490.4243 2612.9010 0.0000 0.0000 52115.5842 -109269.8894 299.5090 -161385.4737 -108906.6127 299.9286 -142.5888 -116.5202 760619.1934 1.9910 2.0210 PRESSURE: 4868000 143.384 -67.8136 22.035 -67.8143 -85.3132 -60.8466 22.0346 -60.8457 -483.516 GPRESSURE: 4868000 120.508 -132.05 118.084 145.283 -53.8107 -66.8995 3.65229 -167.836 -402.065 PRESSAVG: 4868000 66.9614 3.46808 46.9038 3.46807 -98.5612 -18.6339 46.9037 -18.634 -3.64692 GPRESSAVG: 4868000 65.8478 5.0384 45.2192 5.30935 -97.6572 -20.1825 45.7439 -18.4116 -3.84651 TIMING: 4868000 CPU: 15473.2, 0.00316027/step Wall: 15473.2, 0.00316028/step, 0.115877 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4868000 3999.4227 20642.7225 14404.0899 265.7649 -203448.7436 2324.1092 0.0000 0.0000 52296.5604 -109516.0739 300.5491 -161812.6342 -109147.5282 299.9915 -141.8151 -111.7891 759455.2134 -11.7489 -11.8853 PRESSURE: 4868200 -24.0334 -11.2101 -159.816 -11.2099 -27.9315 162.164 -159.815 162.164 -38.524 GPRESSURE: 4868200 -31.3124 -144.246 -172.76 46.3285 23.3747 139.102 -208.899 197.176 25.8008 PRESSAVG: 4868200 -4.39981 19.1939 8.69327 19.1938 -21.5192 -10.7761 8.69331 -10.7761 0.680899 GPRESSAVG: 4868200 -3.61446 18.4289 9.86801 19.0872 -22.3696 -10.1712 7.7387 -9.36531 0.847357 TIMING: 4868200 CPU: 15473.9, 0.00316768/step Wall: 15473.9, 0.00316768/step, 0.115972 hours remaining, 239.328125 MB of memory in use. ENERGY: 4868200 3964.4138 20381.7001 14490.4564 239.2624 -203116.7149 2330.9401 0.0000 0.0000 52313.1170 -109396.8252 300.6442 -161709.9422 -109037.2859 299.8769 -30.1630 5.9544 761116.7302 -8.4127 -8.3789 LDB: ============= START OF LOAD BALANCING ============== 15486.3 LDB: ============== END OF LOAD BALANCING =============== 15486.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15486.3 LDB: ============= START OF LOAD BALANCING ============== 15486.6 LDB: Largest compute 7025 load 0.035155 is 17.9% of average load 0.196006 LDB: Average compute 0.004415 is 2.3% of average load 0.196006 LDB: TIME 15486.6 LOAD: AVG 0.196006 MAX 0.218324 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 15486.6 LOAD: AVG 0.196006 MAX 0.218324 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.734 MB LDB: TIME 15486.6 LOAD: AVG 0.196006 MAX 0.218324 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.734 MB LDB: ============== END OF LOAD BALANCING =============== 15486.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15486.6 PRESSURE: 4868400 130.637 248.676 7.54176 248.675 31.1762 12.765 7.54125 12.7657 219 GPRESSURE: 4868400 255.48 244.964 -17.5085 326.23 33.5331 -42.9141 -11.4183 97.762 175.374 PRESSAVG: 4868400 57.8789 7.68809 1.69843 7.68809 2.7971 11.1667 1.69849 11.1667 -11.5854 GPRESSAVG: 4868400 58.3989 6.94558 1.40951 7.42772 1.59425 12.6973 1.64892 9.32373 -11.3253 TIMING: 4868400 CPU: 15474.5, 0.00327494/step Wall: 15474.5, 0.00327494/step, 0.119717 hours remaining, 237.898438 MB of memory in use. ENERGY: 4868400 3914.6990 20644.0424 14536.0095 253.6781 -203312.9412 2455.8653 0.0000 0.0000 52000.0009 -109508.6460 298.8447 -161508.6469 -109132.9368 299.5285 126.9378 154.7959 760010.2340 16.3635 16.2226 PRESSURE: 4868600 177.335 66.985 -210.314 66.9847 -111.814 -50.0418 -210.314 -50.0412 239.383 GPRESSURE: 4868600 167.353 21.2068 -230.588 20.0288 -34.0107 -204.832 -228.003 24.1043 272.057 PRESSAVG: 4868600 12.0974 18.6411 -27.4651 18.6411 -34.9118 -35.0153 -27.4651 -35.0153 18.9888 GPRESSAVG: 4868600 13.4212 20.7453 -27.4454 19.5985 -35.4118 -36.9853 -27.2376 -34.0661 18.294 TIMING: 4868600 CPU: 15475.2, 0.00320347/step Wall: 15475.2, 0.00320347/step, 0.116926 hours remaining, 237.898438 MB of memory in use. ENERGY: 4868600 4059.9443 20415.8963 14557.7890 252.3127 -203333.3908 2556.2945 0.0000 0.0000 51940.2401 -109550.9139 298.5013 -161491.1540 -109204.3503 299.2220 101.6346 135.1332 760004.8476 -1.2752 -1.2322 PRESSURE: 4868800 -124.268 -135.73 83.9842 -135.729 -85.5989 58.0068 83.9839 58.0065 -218.649 GPRESSURE: 4868800 -29.4846 -22.8852 89.1656 -196.386 -95.998 10.8722 65.1941 123.538 -210.041 PRESSAVG: 4868800 30.8669 1.49384 25.3951 1.4938 -55.9737 -5.50701 25.395 -5.507 -26.8555 GPRESSAVG: 4868800 29.0727 1.4618 23.4808 -0.876925 -54.057 -5.22078 27.1074 -4.95564 -27.0746 TIMING: 4868800 CPU: 15475.8, 0.00319377/step Wall: 15475.8, 0.00319377/step, 0.116395 hours remaining, 237.898438 MB of memory in use. ENERGY: 4868800 3972.3670 20396.2316 14514.2731 256.6330 -203310.5848 2483.7185 0.0000 0.0000 52092.5192 -109594.8425 299.3764 -161687.3617 -109244.4193 299.2666 -142.8388 -111.8414 759778.1648 -17.3207 -17.3529 PRESSURE: 4869000 66.1998 -68.8406 65.4131 -68.8406 -180.177 -56.6266 65.4126 -56.6263 -484.496 GPRESSURE: 4869000 94.2304 -48.789 25.1866 -21.1196 -214.334 -27.5549 122.329 -228.994 -392.154 PRESSAVG: 4869000 17.2708 -6.827 47.3777 -6.82697 5.0647 -31.8561 47.3776 -31.8561 -16.3121 GPRESSAVG: 4869000 17.3165 -5.91797 47.5294 -5.68899 4.65073 -31.4829 46.5672 -33.0166 -15.1814 TIMING: 4869000 CPU: 15476.4, 0.00317518/step Wall: 15476.4, 0.00317518/step, 0.115541 hours remaining, 237.898438 MB of memory in use. ENERGY: 4869000 4051.0299 20374.4667 14419.4484 252.1879 -203580.3134 2624.3802 0.0000 0.0000 52163.1518 -109695.6485 299.7824 -161858.8004 -109323.1327 299.4758 -199.4910 -170.7527 761572.4249 2.0078 2.2619 PRESSURE: 4869200 27.3391 -11.9937 36.6255 -11.9944 392.908 -29.5654 36.625 -29.5651 -302.285 GPRESSURE: 4869200 92.9581 -85.7466 160.515 -63.2113 375.107 4.49412 17.1811 50.7108 -258.477 PRESSAVG: 4869200 14.4933 -20.8438 34.6601 -20.8438 -28.5602 -20.353 34.6601 -20.353 15.4259 GPRESSAVG: 4869200 14.2365 -21.3432 35.8974 -20.2039 -29.6936 -20.0581 34.4632 -21.2841 16.7718 TIMING: 4869200 CPU: 15477.1, 0.00317879/step Wall: 15477.1, 0.00317879/step, 0.115496 hours remaining, 237.898438 MB of memory in use. ENERGY: 4869200 3964.8336 20460.1724 14454.6671 247.7522 -203899.4480 3127.3816 0.0000 0.0000 51847.9135 -109796.7276 297.9707 -161644.6411 -109432.9140 298.7656 39.3206 69.8628 760881.0172 0.4530 0.4383 PRESSURE: 4869400 370.806 -63.0579 70.8754 -63.0574 251.347 139.924 70.8742 139.924 114.893 GPRESSURE: 4869400 467.112 97.1314 78.4633 -22.5931 198.366 246.008 96.4526 38.0492 142.422 PRESSAVG: 4869400 18.3669 -64.3655 20.1271 -64.3656 -14.899 20.4988 20.1271 20.4989 -36.7179 GPRESSAVG: 4869400 19.2224 -64.9803 19.3772 -65.4339 -12.9666 20.7137 21.1879 20.5479 -38.8887 TIMING: 4869400 CPU: 15477.7, 0.00320098/step Wall: 15477.7, 0.00320098/step, 0.116125 hours remaining, 237.898438 MB of memory in use. ENERGY: 4869400 3947.8374 20674.1758 14481.3222 252.0527 -203767.2589 2870.1463 0.0000 0.0000 51968.8573 -109572.8673 298.6657 -161541.7246 -109219.3568 299.2241 245.6823 269.3002 758749.4024 -11.0833 -10.8776 PRESSURE: 4869600 -24.5821 -137.543 149.188 -137.543 121.08 244.641 149.189 244.642 194.234 GPRESSURE: 4869600 55.7979 -136.598 111.759 -79.8555 140.156 141.274 61.7763 258.497 166.453 PRESSAVG: 4869600 34.6857 -56.2603 72.6009 -56.2603 0.635771 -16.072 72.6009 -16.0721 0.208099 GPRESSAVG: 4869600 35.4317 -55.2321 72.9646 -55.5526 -0.564136 -15.4529 71.3831 -15.1914 0.393421 TIMING: 4869600 CPU: 15478.3, 0.00318209/step Wall: 15478.3, 0.00318209/step, 0.115262 hours remaining, 237.898438 MB of memory in use. ENERGY: 4869600 3894.0490 20553.7776 14451.2301 254.1077 -203597.7040 2678.9857 0.0000 0.0000 52282.9245 -109482.6295 300.4707 -161765.5540 -109120.3851 299.3788 96.9109 120.8022 759255.9137 11.8432 11.7537 PRESSURE: 4869800 -393.568 121.61 167.686 121.61 -104.516 153.262 167.686 153.262 -396.439 GPRESSURE: 4869800 -335.83 100.65 232.203 31.3952 -58.2893 165.922 110.115 100.209 -409.722 PRESSAVG: 4869800 7.36211 -34.8345 20.2113 -34.8345 -43.8094 -0.253593 20.2113 -0.253596 9.95186 GPRESSAVG: 4869800 8.51658 -34.3538 20.1913 -35.9196 -44.561 -2.35036 20.2891 0.145019 10.2146 TIMING: 4869800 CPU: 15479, 0.00318633/step Wall: 15479, 0.00318633/step, 0.115239 hours remaining, 237.898438 MB of memory in use. ENERGY: 4869800 4012.3777 20669.9803 14472.9304 265.3350 -203086.3727 2121.2551 0.0000 0.0000 52003.9985 -109540.4958 298.8677 -161544.4943 -109175.7603 299.5840 -298.1746 -267.9473 759647.7761 -8.8318 -8.6099 PRESSURE: 4870000 145.879 -240.575 13.3426 -240.575 192.982 -140.867 13.3427 -140.867 444.813 GPRESSURE: 4870000 203.64 -180.55 45.8293 -246.191 184.194 -93.8898 29.0021 -147.399 479.197 PRESSAVG: 4870000 -10.7299 -43.1884 38.5975 -43.1885 -17.0235 -2.79087 38.5975 -2.79088 -7.66378 GPRESSAVG: 4870000 -10.6305 -44.2938 38.7149 -41.5017 -15.586 -1.40806 39.5384 -3.68757 -8.33887 TIMING: 4870000 CPU: 15479.6, 0.00318502/step Wall: 15479.6, 0.00318502/step, 0.115015 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4870000 3933.2198 20594.1607 14470.7196 244.4167 -203568.2556 2719.3517 0.0000 0.0000 52122.4054 -109483.9819 299.5482 -161606.3872 -109117.0765 299.2908 261.2246 289.0104 760554.0366 -11.8057 -11.5185 PRESSURE: 4870200 14.5656 -141.225 -0.699545 -141.226 117.006 85.8182 -0.698668 85.8178 220.389 GPRESSURE: 4870200 58.5192 -169.614 -16.9448 -49.1402 118.955 75.2947 -145.932 175.495 228.345 PRESSAVG: 4870200 -3.38568 5.98243 -1.3839 5.98244 -59.7466 -54.8464 -1.38381 -54.8464 3.15666 GPRESSAVG: 4870200 -3.61377 5.4641 -1.59861 5.7634 -60.0956 -53.0964 -1.80534 -54.1676 3.65041 TIMING: 4870200 CPU: 15480.3, 0.00318343/step Wall: 15480.3, 0.00318343/step, 0.11478 hours remaining, 237.898438 MB of memory in use. ENERGY: 4870200 3988.1151 20602.8151 14382.3909 232.2402 -203944.0591 2824.1582 0.0000 0.0000 52154.4024 -109759.9372 299.7321 -161914.3396 -109401.9697 298.8914 117.3201 135.2728 762184.3019 -19.9919 -20.0196 PRESSURE: 4870400 511.324 -15.0737 -87.5215 -15.0736 373.377 -51.4131 -87.5217 -51.4124 186.266 GPRESSURE: 4870400 583.943 -91.2408 -79.9731 0.165668 393.27 -65.9327 -29.2996 3.86534 193.869 PRESSAVG: 4870400 39.1261 -19.9928 -8.62746 -19.9928 -27.1871 -20.819 -8.62747 -20.8191 -7.29539 GPRESSAVG: 4870400 39.5539 -20.5978 -8.61124 -19.1458 -27.9869 -22.1189 -9.34105 -17.2671 -6.61009 TIMING: 4870400 CPU: 15480.9, 0.00320952/step Wall: 15480.9, 0.00320952/step, 0.115543 hours remaining, 237.898438 MB of memory in use. ENERGY: 4870400 3910.0410 20568.3569 14486.4090 239.9290 -203288.6630 2312.9089 0.0000 0.0000 52095.8556 -109675.1625 299.3956 -161771.0181 -109306.8163 298.8613 356.9890 390.3607 758875.6098 1.5478 1.6523 PRESSURE: 4870600 0.8973 -146.6 -127.943 -146.599 32.4764 -20.5066 -127.944 -20.506 68.3904 GPRESSURE: 4870600 -6.52588 -204.964 -8.67334 -172.342 83.0469 7.21318 -340.946 -66.6729 104.894 PRESSAVG: 4870600 -15.1255 -49.5665 38.5695 -49.5665 -7.86644 12.1042 38.5695 12.1042 25.4131 GPRESSAVG: 4870600 -15.3207 -48.18 38.2876 -51.2677 -7.01515 11.4238 38.5042 8.71229 24.6142 TIMING: 4870600 CPU: 15481.5, 0.00318299/step Wall: 15481.5, 0.00318299/step, 0.114411 hours remaining, 237.898438 MB of memory in use. ENERGY: 4870600 3872.2796 20609.0357 14463.5113 276.7859 -203099.8301 2310.5433 0.0000 0.0000 52054.4233 -109513.2509 299.1575 -161567.6742 -109148.6068 299.2860 33.9214 60.4717 760678.2995 0.8070 0.7595 PRESSURE: 4870800 -336.919 60.0643 -278.309 60.0639 -381.234 -0.524108 -278.309 -0.524957 -236.397 GPRESSURE: 4870800 -329.019 -8.4506 -300.002 105.443 -265.258 9.11874 -35.5626 175.76 -251.213 PRESSAVG: 4870800 19.8032 -32.5404 -7.32119 -32.5403 -8.34414 11.2922 -7.32114 11.2922 5.87753 GPRESSAVG: 4870800 20.0917 -32.9401 -6.80137 -31.8058 -8.80529 11.1872 -7.20755 12.0979 5.84276 TIMING: 4870800 CPU: 15482.2, 0.00322393/step Wall: 15482.2, 0.00322393/step, 0.115703 hours remaining, 237.898438 MB of memory in use. ENERGY: 4870800 4047.3210 20536.9527 14470.1709 250.7625 -203018.8099 2127.8241 0.0000 0.0000 51972.0552 -109613.7234 298.6841 -161585.7787 -109260.4574 299.6644 -318.1834 -281.8301 760256.7492 5.7789 5.7097 PRESSURE: 4871000 -221.082 45.9417 139.259 45.9419 -129.898 -65.6345 139.26 -65.6349 -219.282 GPRESSURE: 4871000 -167.171 4.26997 175.702 38.2464 -81.8405 -109.59 94.0419 -78.0315 -250.115 PRESSAVG: 4871000 -15.2777 -41.6307 -8.09938 -41.6307 35.9574 1.519 -8.09942 1.51896 18.0453 GPRESSAVG: 4871000 -14.7278 -42.0942 -8.02013 -42.7 36.0172 1.43655 -6.11942 1.72907 17.5132 TIMING: 4871000 CPU: 15482.8, 0.00321067/step Wall: 15482.8, 0.00321067/step, 0.115049 hours remaining, 237.898438 MB of memory in use. ENERGY: 4871000 4057.2385 20627.9200 14495.0105 259.2523 -203580.6194 2602.1038 0.0000 0.0000 52056.2307 -109482.8636 299.1679 -161539.0943 -109120.5289 299.3876 -190.0874 -166.3756 761239.1410 12.9083 12.9342 PRESSURE: 4871200 -122.293 -62.939 -24.162 -62.9391 348.555 -70.7858 -24.1626 -70.7862 -36.1992 GPRESSURE: 4871200 -47.1349 -57.1335 -47.1314 -97.8555 288.19 -111.047 -99.1303 -111.231 26.095 PRESSAVG: 4871200 47.8261 -7.12572 4.67326 -7.12575 -9.02596 -93.0221 4.67331 -93.0222 13.4802 GPRESSAVG: 4871200 48.6277 -5.07781 3.78077 -7.06047 -10.1334 -93.303 0.617448 -93.9107 13.9651 TIMING: 4871200 CPU: 15483.5, 0.00319256/step Wall: 15483.5, 0.00319256/step, 0.114223 hours remaining, 237.898438 MB of memory in use. ENERGY: 4871200 3973.1307 20538.3135 14412.6773 236.7332 -203671.4029 2632.4773 0.0000 0.0000 52195.4590 -109682.6119 299.9680 -161878.0709 -109307.1446 299.8175 63.3542 89.0500 760589.6533 17.4268 17.4865 PRESSURE: 4871400 -211.922 131.63 -39.4983 131.631 95.1496 -185.172 -39.4976 -185.174 -135.869 GPRESSURE: 4871400 -211.701 116.774 -33.2859 101.825 122.83 -153.25 -1.57262 -172.6 -87.6497 PRESSAVG: 4871400 -20.0784 -8.28829 9.89541 -8.28832 -41.5812 -8.66298 9.89548 -8.66295 -3.54014 GPRESSAVG: 4871400 -21.1464 -10.1932 9.93908 -5.74578 -41.0784 -6.46465 13.7282 -7.12529 -2.77075 TIMING: 4871400 CPU: 15484.1, 0.00319242/step Wall: 15484.1, 0.00319242/step, 0.11404 hours remaining, 237.898438 MB of memory in use. ENERGY: 4871400 3983.6957 20608.2890 14531.7756 293.5178 -203620.3982 2681.9285 0.0000 0.0000 52019.9071 -109501.2845 298.9591 -161521.1916 -109137.2428 299.5326 -84.2138 -58.8402 761812.6310 -21.7332 -21.6652 PRESSURE: 4871600 -139.832 -120.375 -342.693 -120.375 -247.515 207.986 -342.694 207.986 -350.589 GPRESSURE: 4871600 -57.054 -41.2143 -388.359 -108.452 -219.523 178.337 -267.795 25.7861 -391.098 PRESSAVG: 4871600 13.7382 -60.5132 14.304 -60.5132 -22.9272 -58.6754 14.304 -58.6754 -2.17948 GPRESSAVG: 4871600 13.5677 -61.3704 13.9826 -61.1758 -22.3122 -60.0099 11.7489 -58.0247 -2.8329 TIMING: 4871600 CPU: 15484.7, 0.00319741/step Wall: 15484.7, 0.00319741/step, 0.114041 hours remaining, 237.898438 MB of memory in use. ENERGY: 4871600 4013.4237 20460.1769 14451.5787 234.0511 -203118.5639 2450.3087 0.0000 0.0000 52177.2470 -109331.7779 299.8634 -161509.0249 -108973.2889 299.6294 -245.9787 -222.5584 761266.1553 -3.7895 -3.8591 PRESSURE: 4871800 39.9345 189.219 -60.9202 189.219 -90.7615 100.001 -60.921 100.001 -53.3235 GPRESSURE: 4871800 213.213 176.562 -103.307 150.872 -58.0054 215.081 -54.8281 3.08596 -131.945 PRESSAVG: 4871800 -10.4441 -36.1665 -19.8365 -36.1664 29.5898 2.62889 -19.8366 2.62891 15.1847 GPRESSAVG: 4871800 -9.56674 -37.2116 -18.6331 -36.9771 29.5809 3.19515 -19.6427 0.871854 14.8456 TIMING: 4871800 CPU: 15485.4, 0.00318214/step Wall: 15485.4, 0.00318214/step, 0.113319 hours remaining, 237.898438 MB of memory in use. ENERGY: 4871800 3968.4883 20410.9753 14468.4330 248.9809 -202964.0740 2368.0559 0.0000 0.0000 51985.2594 -109513.8812 298.7600 -161499.1406 -109151.2260 299.4178 -34.7168 7.7542 761250.6736 11.4435 11.6199 PRESSURE: 4872000 34.0108 -9.1232 80.8211 -9.12312 439.311 -79.6323 80.8215 -79.6316 167.638 GPRESSURE: 4872000 28.3677 36.561 170.542 65.3856 538.403 -96.8625 26.5365 -116.009 151.757 PRESSAVG: 4872000 16.0057 -50.0173 14.7641 -50.0173 33.7823 -13.5252 14.7641 -13.5253 20.662 GPRESSAVG: 4872000 15.5992 -48.8976 14.9607 -51.4965 33.6142 -15.6888 15.7652 -13.7367 20.8409 TIMING: 4872000 CPU: 15486, 0.00319051/step Wall: 15486, 0.00319051/step, 0.11344 hours remaining, 237.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4872000 4045.1909 20491.0899 14462.3937 245.7749 -203571.8818 2716.8043 0.0000 0.0000 52140.1353 -109470.4928 299.6501 -161610.6281 -109113.1884 299.1246 213.6531 239.5092 760523.9014 23.4833 23.3515 PRESSURE: 4872200 141.95 48.2613 113.101 48.2607 204.803 145.686 113.101 145.685 -105.896 GPRESSURE: 4872200 119.977 119.445 152.032 32.3103 255.505 90.3733 -40.8421 86.4147 -51.1047 PRESSAVG: 4872200 -62.1366 -18.5964 10.5645 -18.5964 47.2845 -3.0994 10.5646 -3.09935 18.5999 GPRESSAVG: 4872200 -62.7904 -17.3208 10.8534 -16.5037 46.6413 -1.12109 10.3356 -1.97932 19.1084 TIMING: 4872200 CPU: 15486.6, 0.00318914/step Wall: 15486.6, 0.00318914/step, 0.113214 hours remaining, 237.898438 MB of memory in use. ENERGY: 4872200 3983.0308 20341.2412 14502.3260 259.2404 -203283.2276 2625.7749 0.0000 0.0000 51897.2079 -109674.4065 298.2540 -161571.6145 -109300.8004 298.3805 80.2857 108.1260 762268.8457 1.2493 0.9864 LDB: ============= START OF LOAD BALANCING ============== 15499.1 LDB: ============== END OF LOAD BALANCING =============== 15499.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15499.1 LDB: ============= START OF LOAD BALANCING ============== 15499.4 LDB: Largest compute 7047 load 0.034025 is 17.4% of average load 0.195895 LDB: Average compute 0.004413 is 2.3% of average load 0.195895 LDB: TIME 15499.4 LOAD: AVG 0.195895 MAX 0.221214 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 15499.4 LOAD: AVG 0.195895 MAX 0.221214 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 15499.4 LOAD: AVG 0.195895 MAX 0.21869 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 15499.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15499.4 PRESSURE: 4872400 11.1643 226.319 -125.903 226.319 88.3507 284.171 -125.902 284.169 -195.33 GPRESSURE: 4872400 22.4247 169.749 -141.303 90.5479 183.524 270.106 -245.68 162.133 -185.994 PRESSAVG: 4872400 -9.73223 -46.4236 15.4762 -46.4236 37.2938 -8.36638 15.4762 -8.36632 -4.09466 GPRESSAVG: 4872400 -10.6323 -47.0898 15.1081 -46.0505 38.0314 -9.19004 14.0072 -8.66324 -3.68296 TIMING: 4872400 CPU: 15487.3, 0.00327556/step Wall: 15487.3, 0.00327556/step, 0.1161 hours remaining, 240.726562 MB of memory in use. ENERGY: 4872400 4030.4850 20481.6060 14496.0699 273.9972 -203550.2039 2762.3253 0.0000 0.0000 51869.8402 -109635.8804 298.0967 -161505.7205 -109283.0561 298.5959 -31.9384 6.6513 762186.3867 7.8223 7.9054 PRESSURE: 4872600 217.01 -245.074 -17.4607 -245.074 -357.221 101.136 -17.4601 101.136 95.2171 GPRESSURE: 4872600 268.2 -168.887 28.2008 -179.088 -277.078 83.5483 121.389 60.4372 51.4639 PRESSAVG: 4872600 -27.2735 -41.6049 -15.7317 -41.6049 48.4218 -26.4552 -15.7317 -26.4552 7.99938 GPRESSAVG: 4872600 -26.062 -40.7921 -15.9924 -43.4138 48.5715 -26.507 -13.2596 -25.5833 6.78129 TIMING: 4872600 CPU: 15487.9, 0.00319682/step Wall: 15487.9, 0.00319681/step, 0.113132 hours remaining, 240.929688 MB of memory in use. ENERGY: 4872600 3940.2368 20473.2650 14472.7159 262.3550 -203085.1481 2382.1541 0.0000 0.0000 51991.3494 -109563.0720 298.7950 -161554.4214 -109205.0535 298.5568 -14.9981 14.1953 762634.2960 9.7159 9.7636 PRESSURE: 4872800 -603.816 95.2564 4.64825 95.2573 -374.511 -122.913 4.6484 -122.914 -119.038 GPRESSURE: 4872800 -488.694 -21.8308 -68.6746 192.864 -452.609 -160.157 -77.6766 -117.59 -73.5359 PRESSAVG: 4872800 7.15492 17.2694 -9.20503 17.2694 -28.7672 -30.9565 -9.20505 -30.9565 0.898162 GPRESSAVG: 4872800 7.90831 14.6177 -9.02354 19.3893 -29.893 -29.9968 -10.4766 -32.6602 1.13301 TIMING: 4872800 CPU: 15488.6, 0.003228/step Wall: 15488.6, 0.00322801/step, 0.114056 hours remaining, 240.929688 MB of memory in use. ENERGY: 4872800 4024.3658 20455.0743 14446.9802 245.8707 -203085.2430 2428.8464 0.0000 0.0000 51919.8481 -109564.2575 298.3841 -161484.1056 -109208.2234 298.6089 -365.7880 -338.2798 762515.5404 -6.9047 -6.9506 PRESSURE: 4873000 23.4275 90.6943 -141.551 90.6938 76.0099 40.2156 -141.551 40.2142 65.0921 GPRESSURE: 4873000 214.476 -8.13944 -79.8344 23.6192 12.9185 65.4715 -129.963 5.50689 31.7119 PRESSAVG: 4873000 23.4751 -25.9735 -26.4909 -25.9735 43.4898 -76.4843 -26.4909 -76.4843 -19.472 GPRESSAVG: 4873000 22.2334 -22.7288 -26.7265 -28.6601 43.1392 -74.8577 -26.0073 -77.8854 -18.6212 TIMING: 4873000 CPU: 15489.2, 0.00320882/step Wall: 15489.2, 0.00320882/step, 0.1132 hours remaining, 240.929688 MB of memory in use. ENERGY: 4873000 3973.2981 20506.8553 14474.6799 253.9588 -203414.8038 2671.9690 0.0000 0.0000 52120.8552 -109413.1876 299.5393 -161534.0427 -109050.1076 299.4487 54.8432 86.3689 760953.4752 15.8310 15.5838 PRESSURE: 4873200 33.0363 -337.503 35.2765 -337.503 -379.438 -218.694 35.2763 -218.694 90.8902 GPRESSURE: 4873200 36.7688 -245.381 -3.36252 -190.958 -326.658 -162.183 33.8241 -99.1827 120.25 PRESSAVG: 4873200 49.4144 -42.7016 7.20784 -42.7017 -23.6534 7.34303 7.20787 7.3431 -6.03534 GPRESSAVG: 4873200 48.0057 -44.4156 6.39145 -39.3875 -22.1327 7.20895 9.10566 9.58409 -5.94238 TIMING: 4873200 CPU: 15489.9, 0.00320516/step Wall: 15489.9, 0.00320516/step, 0.112893 hours remaining, 240.929688 MB of memory in use. ENERGY: 4873200 3940.1054 20488.4810 14448.1573 257.2426 -202744.6995 2355.1953 0.0000 0.0000 51805.6952 -109449.8228 297.7280 -161255.5180 -109088.0075 299.5015 -85.1706 -56.5464 761391.3579 6.5752 6.6435 PRESSURE: 4873400 -184.056 8.2192 -60.1812 8.21851 -152.705 -15.571 -60.1811 -15.5708 -252.245 GPRESSURE: 4873400 -170.71 59.4898 -91.2591 78.5036 -100.472 43.8572 -39.6772 -63.1095 -233.371 PRESSAVG: 4873400 -21.8869 -28.9375 -4.31065 -28.9375 6.68722 -24.919 -4.31067 -24.9191 -6.69111 GPRESSAVG: 4873400 -21.2116 -29.1044 -3.31221 -29.9514 6.67834 -26.0079 -7.42145 -26.0478 -7.43946 TIMING: 4873400 CPU: 15490.5, 0.00318603/step Wall: 15490.5, 0.00318603/step, 0.112042 hours remaining, 240.929688 MB of memory in use. ENERGY: 4873400 4027.7660 20601.7409 14395.8174 264.0536 -203300.6148 2258.6788 0.0000 0.0000 52293.0669 -109459.4912 300.5290 -161752.5581 -109089.8757 299.3198 -196.3353 -168.1843 760968.5560 -7.2969 -7.3243 PRESSURE: 4873600 18.2085 -238.936 -101.616 -238.935 290.589 50.8264 -101.616 50.8265 -299.451 GPRESSURE: 4873600 59.3898 -282.481 -67.7022 -205.071 286.471 36.4638 -23.0737 105.84 -255.495 PRESSAVG: 4873600 -32.8128 -6.78979 -10.8188 -6.78984 40.5747 -15.8586 -10.8188 -15.8586 -33.1723 GPRESSAVG: 4873600 -31.7667 -7.44517 -10.2223 -6.79014 39.1247 -16.2724 -10.2236 -13.6479 -31.8029 TIMING: 4873600 CPU: 15491.1, 0.00320078/step Wall: 15491.1, 0.00320077/step, 0.112383 hours remaining, 240.929688 MB of memory in use. ENERGY: 4873600 4125.8804 20521.9704 14398.5172 259.5724 -203444.6611 2479.4350 0.0000 0.0000 52206.1198 -109453.1659 300.0293 -161659.2857 -109093.2246 299.4705 3.1155 30.1221 759141.6680 -8.4701 -8.1483 PRESSURE: 4873800 569.07 -135.505 75.2611 -135.504 164.57 -90.9994 75.2617 -90.9989 71.2134 GPRESSURE: 4873800 528.886 -56.953 15.5332 -199.619 207.161 -74.367 71.8713 -83.6069 152.879 PRESSAVG: 4873800 -50.1051 -38.1225 31.4303 -38.1226 0.895325 -16.9221 31.4303 -16.9221 0.807196 GPRESSAVG: 4873800 -49.2542 -35.2751 30.5409 -39.7582 0.566331 -15.3654 32.4993 -19.7839 0.920997 TIMING: 4873800 CPU: 15491.8, 0.00317253/step Wall: 15491.8, 0.00317253/step, 0.111215 hours remaining, 240.929688 MB of memory in use. ENERGY: 4873800 3930.4798 20557.3945 14467.8041 244.8427 -203565.9367 2812.5391 0.0000 0.0000 51960.2703 -109592.6061 298.6164 -161552.8765 -109225.7421 299.5287 268.2845 296.3085 759786.5521 -16.1342 -15.9223 PRESSURE: 4874000 -192.478 -151.692 195.409 -151.693 -196.134 -24.3978 195.41 -24.3976 -393.745 GPRESSURE: 4874000 -210.206 -145.543 113.293 -71.7802 -117.656 60.1166 130.966 -11.6335 -372.602 PRESSAVG: 4874000 -0.737143 -41.7532 15.7939 -41.7532 -18.8488 -79.5785 15.794 -79.5785 -15.2877 GPRESSAVG: 4874000 -1.70281 -43.0152 15.1312 -40.1336 -15.7881 -81.2485 15.6937 -78.6492 -17.7571 TIMING: 4874000 CPU: 15492.4, 0.00318798/step Wall: 15492.4, 0.00318798/step, 0.111579 hours remaining, 240.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4874000 4044.0075 20498.4499 14438.9796 256.5047 -203620.1517 2581.8173 0.0000 0.0000 52187.4570 -109612.9357 299.9220 -161800.3926 -109241.8521 299.3661 -260.7856 -233.4881 759990.9993 -11.6245 -11.7493 PRESSURE: 4874200 -18.38 -137.104 164.546 -137.103 39.844 -79.983 164.547 -79.9826 -129.431 GPRESSURE: 4874200 -34.5722 -43.8645 205.958 -60.3276 73.2309 -93.7292 223.897 72.7778 -51.8467 PRESSAVG: 4874200 3.39044 -26.2417 34.316 -26.2417 10.4481 -43.8118 34.3161 -43.8118 2.6302 GPRESSAVG: 4874200 2.3202 -24.5143 36.0848 -29.1271 8.97905 -44.2215 33.8654 -41.4159 5.2808 TIMING: 4874200 CPU: 15493.1, 0.00319321/step Wall: 15493.1, 0.00319321/step, 0.111585 hours remaining, 240.929688 MB of memory in use. ENERGY: 4874200 3945.4525 20612.2046 14424.1008 236.2420 -203370.3376 2447.3847 0.0000 0.0000 52138.5039 -109566.4491 299.6407 -161704.9530 -109204.3965 299.3744 -35.9891 -4.3960 760612.8511 5.4896 5.5267 PRESSURE: 4874400 -138.911 -112.024 -140.447 -112.024 282.291 126.123 -140.448 126.121 146.723 GPRESSURE: 4874400 10.9914 -48.2588 -96.627 -67.2043 162.309 200.694 -73.5608 2.17266 202.512 PRESSAVG: 4874400 15.136 -47.5024 -16.0959 -47.5024 -1.0777 34.8375 -16.096 34.8374 16.2814 GPRESSAVG: 4874400 17.7166 -47.3952 -16.9024 -45.2052 -2.18206 34.6943 -14.17 34.1089 14.6674 TIMING: 4874400 CPU: 15493.7, 0.00320631/step Wall: 15493.7, 0.00320631/step, 0.111865 hours remaining, 240.929688 MB of memory in use. ENERGY: 4874400 4057.9441 20472.9545 14441.1341 243.9070 -203422.4490 2466.3585 0.0000 0.0000 52040.5647 -109699.5862 299.0778 -161740.1509 -109349.8751 299.5397 96.7008 125.2707 759371.7359 10.1132 10.0673 PRESSURE: 4874600 -18.0442 -145.749 12.997 -145.749 41.9985 -88.441 12.997 -88.4411 -59.6917 GPRESSURE: 4874600 97.9975 -83.0763 8.79425 -60.8248 -4.68732 -161.087 34.0348 -191.751 -46.555 PRESSAVG: 4874600 5.46825 -73.5158 -99.1736 -73.5157 -3.82038 3.53884 -99.1736 3.53884 -17.1121 GPRESSAVG: 4874600 3.22877 -73.9396 -100.088 -73.1044 -2.16882 3.28068 -99.7847 2.56623 -16.7431 TIMING: 4874600 CPU: 15494.3, 0.00321473/step Wall: 15494.3, 0.00321473/step, 0.11198 hours remaining, 240.929688 MB of memory in use. ENERGY: 4874600 3956.4688 20440.8227 14495.4117 243.6197 -203521.7418 2564.4229 0.0000 0.0000 52002.4729 -109818.5232 298.8589 -161820.9961 -109454.9524 298.4179 -11.9125 15.5850 759434.0981 -5.1547 -5.2277 PRESSURE: 4874800 -93.37 211.559 241.437 211.56 180.369 139.311 241.437 139.31 242.119 GPRESSURE: 4874800 -100.27 167.001 172.33 176.345 187.187 188.574 250.297 92.1446 281.753 PRESSAVG: 4874800 22.9675 -48.3476 -78.5836 -48.3476 9.13668 -3.84243 -78.5836 -3.84238 8.79133 GPRESSAVG: 4874800 25.0925 -47.7346 -78.5019 -50.112 7.84254 -3.65947 -79.8224 -3.52578 8.18763 TIMING: 4874800 CPU: 15495, 0.00322608/step Wall: 15495, 0.00322608/step, 0.112196 hours remaining, 240.929688 MB of memory in use. ENERGY: 4874800 3895.9707 20502.2612 14502.0831 237.1724 -203405.1627 2485.8160 0.0000 0.0000 52084.5436 -109697.3157 299.3306 -161781.8593 -109330.7684 298.6689 109.7061 122.8899 759989.6214 13.6319 13.7075 PRESSURE: 4875000 -24.374 -3.22169 57.5101 -3.222 62.7108 -34.9429 57.5096 -34.9429 188.14 GPRESSURE: 4875000 22.3236 -7.1074 69.954 57.5807 136.379 -46.9652 38.9866 -108.588 148.941 PRESSAVG: 4875000 -56.5749 -8.84931 11.141 -8.84937 56.1963 -65.0424 11.1411 -65.0425 -0.388541 GPRESSAVG: 4875000 -58.0254 -12.5913 9.85514 -7.79982 56.2119 -66.2183 12.0309 -62.6312 0.614847 TIMING: 4875000 CPU: 15495.6, 0.0032402/step Wall: 15495.6, 0.0032402/step, 0.112507 hours remaining, 240.929688 MB of memory in use. ENERGY: 4875000 4002.3396 20454.5728 14513.9927 239.3282 -203140.5206 2522.1231 0.0000 0.0000 51753.0765 -109655.0878 297.4256 -161408.1642 -109292.9865 298.6623 75.4923 102.5481 761531.1337 -0.2557 -0.3996 PRESSURE: 4875200 -15.2862 -121.708 -147.153 -121.708 -316.202 -136.204 -147.154 -136.205 42.3092 GPRESSURE: 4875200 -90.9126 -17.2258 -76.6579 -112.801 -193.532 -94.6901 -54.6429 -161.387 42.7866 PRESSAVG: 4875200 44.7855 -37.5224 -10.5005 -37.5224 -54.9435 21.6731 -10.5005 21.6732 -4.17905 GPRESSAVG: 4875200 45.0287 -34.516 -10.2274 -39.0651 -55.1662 21.4374 -9.94817 19.8385 -4.26095 TIMING: 4875200 CPU: 15496.3, 0.00325125/step Wall: 15496.3, 0.00325125/step, 0.11271 hours remaining, 240.929688 MB of memory in use. ENERGY: 4875200 3900.1976 20405.2881 14375.7024 243.5672 -203293.9628 2368.7835 0.0000 0.0000 52220.0717 -109780.3523 300.1095 -162000.4240 -109412.4667 298.6924 -96.3928 -80.5527 759904.4119 -4.7790 -4.7995 PRESSURE: 4875400 132.554 -205.39 51.8074 -205.39 -25.1635 77.5338 51.8081 77.5339 -398.336 GPRESSURE: 4875400 213.068 -240.795 -48.5517 -185.016 -90.0585 -17.1729 27.4672 37.3282 -325.618 PRESSAVG: 4875400 -30.9358 -64.3873 16.8369 -64.3873 0.243339 -28.9978 16.8369 -28.9979 5.09232 GPRESSAVG: 4875400 -30.192 -66.7884 18.9124 -61.6325 -0.190606 -28.0335 12.2592 -30.8809 5.40899 TIMING: 4875400 CPU: 15496.9, 0.00323523/step Wall: 15496.9, 0.00323523/step, 0.111975 hours remaining, 240.929688 MB of memory in use. ENERGY: 4875400 3918.5049 20400.3507 14381.2541 243.1012 -203192.9329 2457.5359 0.0000 0.0000 51910.5093 -109881.6769 298.3304 -161792.1862 -109510.9735 298.4935 -96.9817 -67.5360 762774.3107 -8.5334 -8.3245 PRESSURE: 4875600 43.6577 -181.291 200.995 -181.291 299.201 13.3632 200.996 13.3634 -111.336 GPRESSURE: 4875600 79.6173 -236.174 158.816 -255.482 375.392 38.2515 162.604 2.08194 -132.902 PRESSAVG: 4875600 64.4061 -17.1421 -34.3615 -17.1421 -4.01332 -15.0909 -34.3616 -15.0908 -11.4066 GPRESSAVG: 4875600 62.302 -16.8752 -35.5416 -17.6611 -2.0641 -14.1431 -31.0885 -13.5569 -11.4297 TIMING: 4875600 CPU: 15497.6, 0.00323824/step Wall: 15497.6, 0.00323824/step, 0.111899 hours remaining, 240.929688 MB of memory in use. ENERGY: 4875600 3968.0796 20488.6938 14383.2618 242.7925 -203943.2957 2911.0074 0.0000 0.0000 52356.2751 -109593.1855 300.8922 -161949.4606 -109222.4128 299.0464 77.1742 107.3690 759691.1805 16.3287 16.2694 PRESSURE: 4875800 -159.525 -170.499 70.1413 -170.499 -318.7 -157.869 70.1406 -157.87 20.2942 GPRESSURE: 4875800 -114.617 -141.102 31.9323 -99.7671 -213.2 -71.6157 -78.1946 -190.618 -42.6609 PRESSAVG: 4875800 -3.72578 -11.1846 -26.3768 -11.1846 1.73476 -19.9069 -26.3768 -19.9069 -7.11294 GPRESSAVG: 4875800 -2.60453 -11.0422 -25.5297 -11.1656 1.0755 -20.5848 -26.316 -20.2029 -7.73537 TIMING: 4875800 CPU: 15498.2, 0.00323116/step Wall: 15498.2, 0.00323116/step, 0.111475 hours remaining, 240.929688 MB of memory in use. ENERGY: 4875800 4049.4071 20529.4744 14463.0672 243.2897 -203083.0614 2184.5385 0.0000 0.0000 51943.6745 -109669.6100 298.5210 -161613.2844 -109307.8603 299.1525 -152.6437 -123.4924 759387.4516 -3.0347 -3.0881 PRESSURE: 4876000 -285.042 71.5989 -219.851 71.5994 -131.399 116.116 -219.85 116.116 -370.047 GPRESSURE: 4876000 -182.087 47.0816 -227.971 -55.7134 -150.146 184.991 -142.211 32.1132 -359.042 PRESSAVG: 4876000 -28.0247 -13.1544 17.4576 -13.1544 15.7527 -19.8814 17.4576 -19.8814 -6.25499 GPRESSAVG: 4876000 -27.5746 -12.9125 17.2085 -14.5253 15.4105 -17.2252 17.7049 -19.9818 -6.51271 TIMING: 4876000 CPU: 15498.9, 0.00322925/step Wall: 15498.9, 0.00322925/step, 0.11123 hours remaining, 240.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4876000 4057.8179 20507.8900 14416.3920 237.3405 -203345.5212 2532.1191 0.0000 0.0000 52013.2465 -109580.7151 298.9208 -161593.9616 -109216.2209 299.0962 -262.1629 -230.4247 761068.8266 -6.1757 -6.2256 PRESSURE: 4876200 312.64 -109.557 154.392 -109.558 176.171 42.8106 154.392 42.8121 283.332 GPRESSURE: 4876200 296.795 -59.8859 223.504 -152.975 257.222 62.2993 47.5613 125.172 291.202 PRESSAVG: 4876200 7.50918 -18.6261 -53.3978 -18.6262 -26.9056 -15.6902 -53.3978 -15.6902 -10.3164 GPRESSAVG: 4876200 7.30318 -17.0632 -53.0719 -16.9582 -27.6268 -18.1794 -53.2233 -13.0471 -9.65406 TIMING: 4876200 CPU: 15499.5, 0.00321069/step Wall: 15499.5, 0.00321069/step, 0.110412 hours remaining, 240.929688 MB of memory in use. ENERGY: 4876200 3923.7511 20468.7853 14495.9699 219.1066 -203640.9676 2642.1966 0.0000 0.0000 52142.5549 -109748.6033 299.6640 -161891.1582 -109384.1794 299.2025 257.3812 281.7396 758527.3212 -9.9043 -9.9926 LDB: ============= START OF LOAD BALANCING ============== 15511.9 LDB: ============== END OF LOAD BALANCING =============== 15511.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15511.9 LDB: ============= START OF LOAD BALANCING ============== 15512.2 LDB: Largest compute 7034 load 0.034339 is 17.5% of average load 0.195917 LDB: Average compute 0.004408 is 2.2% of average load 0.195917 LDB: TIME 15512.2 LOAD: AVG 0.195917 MAX 0.21835 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.242 MB LDB: TIME 15512.2 LOAD: AVG 0.195917 MAX 0.21835 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.336 MB LDB: TIME 15512.2 LOAD: AVG 0.195917 MAX 0.21835 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.336 MB LDB: ============== END OF LOAD BALANCING =============== 15512.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15512.3 PRESSURE: 4876400 -166.961 88.7793 115.794 88.7791 -307.989 4.74633 115.795 4.74602 -499.636 GPRESSURE: 4876400 -179.469 -30.5461 98.3124 93.6955 -281.818 -23.8368 107.606 4.65509 -430.97 PRESSAVG: 4876400 -0.193858 -17.4957 -0.613087 -17.4957 -12.5918 -48.7359 -0.613117 -48.7359 1.62997 GPRESSAVG: 4876400 -0.0489074 -17.629 -1.86906 -20.1736 -13.1998 -48.8547 -1.15944 -49.8121 2.16944 TIMING: 4876400 CPU: 15500.2, 0.00329406/step Wall: 15500.2, 0.00329406/step, 0.113096 hours remaining, 238.269531 MB of memory in use. ENERGY: 4876400 3926.0054 20756.0383 14399.0689 225.9633 -203883.8509 2522.1286 0.0000 0.0000 51951.4952 -110103.1512 298.5660 -162054.6464 -109744.0907 298.7510 -324.8622 -297.4190 759641.5082 -3.7186 -3.6931 PRESSURE: 4876600 87.6254 -191.174 -10.3183 -191.174 238.685 134.614 -10.3181 134.614 104.692 GPRESSURE: 4876600 136.693 -188.093 -29.0489 -100.383 208.964 139.628 -38.2589 51.4276 177.466 PRESSAVG: 4876600 -0.830661 -35.0875 42.8383 -35.0875 24.8928 20.6816 42.8383 20.6816 4.1162 GPRESSAVG: 4876600 -0.454563 -34.9736 44.281 -33.3353 25.0757 20.5833 42.1238 19.0365 3.74846 TIMING: 4876600 CPU: 15500.8, 0.00323485/step Wall: 15500.8, 0.00323485/step, 0.110883 hours remaining, 238.472656 MB of memory in use. ENERGY: 4876600 3933.7659 20630.1477 14382.9296 230.1351 -204126.5735 2820.9193 0.0000 0.0000 51933.3859 -110195.2900 298.4619 -162128.6759 -109829.9502 298.0359 143.6676 174.3743 758236.3525 9.3928 9.4565 PRESSURE: 4876800 -9.58464 -0.276699 -81.1792 -0.276738 17.8091 -326.116 -81.179 -326.116 -94.9808 GPRESSURE: 4876800 87.2425 4.24649 -73.9765 16.9228 7.13827 -302.989 -141.5 -242.889 -101.307 PRESSAVG: 4876800 52.1486 20.518 66.7491 20.5179 -54.1579 22.9274 66.7491 22.9274 -0.208089 GPRESSAVG: 4876800 52.5569 18.2732 64.9741 19.8732 -53.5312 24.8435 67.0299 22.3869 -0.938069 TIMING: 4876800 CPU: 15501.5, 0.0032332/step Wall: 15501.5, 0.0032332/step, 0.110647 hours remaining, 238.472656 MB of memory in use. ENERGY: 4876800 3962.7371 20508.1869 14354.5745 231.8044 -203139.4693 2338.4287 0.0000 0.0000 51776.4925 -109967.2452 297.5602 -161743.7377 -109611.7664 297.8068 -28.9188 -2.3087 760565.5565 -0.7391 -0.6375 PRESSURE: 4877000 171.518 165.552 23.9603 165.552 -95.145 -25.4484 23.9603 -25.4489 -250.918 GPRESSURE: 4877000 217.331 223.077 -20.6776 127.814 -71.0503 7.08751 75.917 -52.8054 -235.338 PRESSAVG: 4877000 47.0434 -17.2448 -5.18346 -17.2448 -30.639 -27.249 -5.18353 -27.249 -24.4819 GPRESSAVG: 4877000 46.7947 -15.2645 -3.71196 -16.9757 -31.6643 -28.099 -4.51215 -27.3023 -22.9873 TIMING: 4877000 CPU: 15502.1, 0.00322605/step Wall: 15502.1, 0.00322605/step, 0.110223 hours remaining, 238.472656 MB of memory in use. ENERGY: 4877000 3996.8535 20565.9249 14453.6066 214.5805 -203444.3833 2454.4442 0.0000 0.0000 51949.1344 -109809.8392 298.5524 -161758.9736 -109444.1119 298.6486 -58.1816 -29.6857 760413.3477 -2.6925 -2.6190 PRESSURE: 4877200 15.745 -17.7067 163.206 -17.7067 -121.827 -144.73 163.207 -144.729 -495.569 GPRESSURE: 4877200 65.2402 -34.4868 197.053 -58.5879 -120.285 -14.5907 37.4987 -58.2452 -463.3 PRESSAVG: 4877200 -8.30899 31.1375 20.9575 31.1375 -10.9012 -1.32209 20.9576 -1.32213 -0.184471 GPRESSAVG: 4877200 -8.45416 29.7986 20.6547 30.7173 -9.72816 -3.50389 20.5243 0.0341194 -1.46578 TIMING: 4877200 CPU: 15502.8, 0.00321846/step Wall: 15502.8, 0.00321846/step, 0.109785 hours remaining, 238.472656 MB of memory in use. ENERGY: 4877200 3987.8598 20671.8406 14440.5047 250.1704 -203532.1417 2442.2520 0.0000 0.0000 51844.5700 -109894.9443 297.9515 -161739.5143 -109536.3357 298.6189 -200.5501 -172.7815 758388.4592 -6.4649 -6.5494 PRESSURE: 4877400 -528.498 -5.32024 -69.5197 -5.32003 -169.692 -169.898 -69.5186 -169.897 -99.5574 GPRESSURE: 4877400 -370.44 -72.1701 -55.1424 -44.0269 -211.939 -184.981 -54.5907 -120.617 -107.869 PRESSAVG: 4877400 -2.26533 45.1679 -15.2013 45.1679 9.52887 -21.4208 -15.2013 -21.4209 4.87857 GPRESSAVG: 4877400 -2.61569 43.8528 -14.9043 47.1491 9.45522 -20.0797 -18.8674 -22.1484 5.14932 TIMING: 4877400 CPU: 15503.4, 0.00320999/step Wall: 15503.4, 0.00320999/step, 0.109318 hours remaining, 238.472656 MB of memory in use. ENERGY: 4877400 3988.4164 20384.3682 14370.2467 224.9127 -203898.0790 2736.5263 0.0000 0.0000 52372.5598 -109821.0490 300.9858 -162193.6088 -109461.4510 298.9890 -265.9159 -230.0829 760188.4448 4.0474 3.9963 PRESSURE: 4877600 -40.8315 39.0276 -147.972 39.0274 303.663 -130.76 -147.973 -130.76 54.0993 GPRESSURE: 4877600 122.086 -46.152 -101.338 110.633 221.226 -176.758 -88.3652 -137.884 57.1414 PRESSAVG: 4877600 16.9493 -12.5021 -24.7576 -12.5022 -34.4258 9.81134 -24.7575 9.81133 -3.55162 GPRESSAVG: 4877600 17.7679 -10.6106 -24.1642 -16.3351 -35.2235 9.0716 -21.2622 9.43245 -3.73744 TIMING: 4877600 CPU: 15504, 0.00320606/step Wall: 15504, 0.00320606/step, 0.109006 hours remaining, 238.472656 MB of memory in use. ENERGY: 4877600 4000.0726 20457.3115 14389.6514 246.7777 -203796.0028 2903.9661 0.0000 0.0000 51924.9011 -109873.3223 298.4131 -161798.2235 -109516.1794 298.8100 105.6435 133.4842 759656.0771 -7.0094 -7.0644 PRESSURE: 4877800 289.062 71.5936 -288.472 71.5937 61.5767 -15.5594 -288.472 -15.5593 -117.542 GPRESSURE: 4877800 380.122 82.1861 -346.809 18.0512 70.4741 -106.006 -294.751 -50.9075 -121.153 PRESSAVG: 4877800 57.4236 -3.58467 -29.0246 -3.58459 -55.1378 9.56903 -29.0245 9.56901 9.15283 GPRESSAVG: 4877800 56.6102 -3.28074 -29.8806 -0.650049 -55.2595 8.6008 -29.3786 11.7005 10.3906 TIMING: 4877800 CPU: 15504.7, 0.00321427/step Wall: 15504.7, 0.00321427/step, 0.109107 hours remaining, 238.472656 MB of memory in use. ENERGY: 4877800 3904.2209 20426.8189 14495.9358 256.1328 -203273.0519 2367.9672 0.0000 0.0000 51976.8894 -109845.0867 298.7119 -161821.9761 -109484.1811 298.5225 77.6991 109.8143 760145.9139 3.8129 3.9137 PRESSURE: 4878000 -221.009 -100.686 -478.569 -100.686 -147.816 45.1036 -478.568 45.104 -377.497 GPRESSURE: 4878000 -185.176 -86.3959 -411.728 -188.285 -96.6719 97.0952 -461.257 -101.457 -392.851 PRESSAVG: 4878000 110.492 -3.48151 -24.0158 -3.48148 -80.8134 -11.9783 -24.0158 -11.9783 13.8461 GPRESSAVG: 4878000 109.612 -4.03267 -24.0524 -3.46169 -79.4654 -11.1289 -25.3618 -12.2962 12.8307 TIMING: 4878000 CPU: 15505.3, 0.00322302/step Wall: 15505.3, 0.00322302/step, 0.109225 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4878000 3959.5205 20601.4152 14416.0037 247.2364 -203503.9074 2536.3994 0.0000 0.0000 51902.1950 -109841.1371 298.2826 -161743.3322 -109480.6045 298.4604 -248.7740 -224.8996 760367.8049 14.5083 14.3257 PRESSURE: 4878200 -124.079 180.919 102.906 180.918 118.898 61.9432 102.907 61.9434 -158.732 GPRESSURE: 4878200 -6.85832 235.385 143.047 91.0049 92.4467 66.4178 12.7557 11.1289 -122.737 PRESSAVG: 4878200 36.7562 -12.9064 -18.3071 -12.9065 -22.0144 2.37303 -18.3071 2.37303 -1.32376 GPRESSAVG: 4878200 36.7272 -14.6977 -17.9484 -10.388 -22.7452 3.22939 -17.0558 -0.612387 -0.59203 TIMING: 4878200 CPU: 15506, 0.00324032/step Wall: 15506, 0.00324032/step, 0.109631 hours remaining, 238.472656 MB of memory in use. ENERGY: 4878200 3943.6990 20475.1551 14498.5468 238.2813 -203479.8500 2308.0895 0.0000 0.0000 52036.1378 -109979.9405 299.0524 -162016.0783 -109627.5413 298.5978 -54.6379 -12.3829 759092.8413 4.4727 4.4633 PRESSURE: 4878400 193.806 -73.8064 86.6166 -73.8066 -166.206 -70.9953 86.6163 -70.9959 288.65 GPRESSURE: 4878400 269.341 -45.8503 100.84 -22.3774 -86.7037 -108.683 -44.7336 14.7194 210.384 PRESSAVG: 4878400 20.0085 -25.5203 19.0739 -25.5203 -30.8213 -30.5299 19.0739 -30.5299 -28.5637 GPRESSAVG: 4878400 19.5343 -25.3306 19.2169 -27.6307 -29.6151 -30.1454 18.2608 -26.3446 -28.648 TIMING: 4878400 CPU: 15506.6, 0.00323113/step Wall: 15506.6, 0.00323113/step, 0.10914 hours remaining, 238.472656 MB of memory in use. ENERGY: 4878400 3931.2422 20368.9312 14519.1908 243.3455 -203349.4132 2199.3378 0.0000 0.0000 52033.4873 -110053.8784 299.0372 -162087.3657 -109688.3147 298.0511 105.4167 131.0071 758005.1578 -13.1255 -12.9096 PRESSURE: 4878600 -447.172 -132.285 -135.464 -132.284 -114.371 215.419 -135.464 215.419 -264.231 GPRESSURE: 4878600 -394.137 -132.206 -90.78 -218.372 -115.78 245.317 -64.1973 102.392 -229.152 PRESSAVG: 4878600 -8.44743 -64.9987 8.05322 -64.9987 -22.9114 22.5807 8.05329 22.5808 22.1816 GPRESSAVG: 4878600 -7.15241 -64.2931 7.29674 -65.0633 -22.9114 22.2504 7.93115 21.109 21.3807 TIMING: 4878600 CPU: 15507.3, 0.00322814/step Wall: 15507.3, 0.00322814/step, 0.10886 hours remaining, 238.472656 MB of memory in use. ENERGY: 4878600 3936.7711 20321.1771 14488.8291 247.7464 -202904.3008 2049.2095 0.0000 0.0000 52212.3447 -109648.2230 300.0651 -161860.5677 -109272.5274 299.0581 -275.2580 -246.3563 761080.8465 -3.0591 -2.8944 PRESSURE: 4878800 215.409 18.1394 -86.6228 18.1393 -55.5186 -96.6914 -86.6228 -96.6898 -376.162 GPRESSURE: 4878800 215.967 62.0082 -118.54 54.738 -26.0164 8.1093 52.1271 -55.5148 -311.839 PRESSAVG: 4878800 47.7119 -25.226 -10.8952 -25.226 -16.9392 19.2663 -10.8952 19.2662 8.01004 GPRESSAVG: 4878800 47.6063 -25.3188 -9.00181 -25.3051 -17.3421 19.9619 -10.5342 18.8907 8.96424 TIMING: 4878800 CPU: 15507.9, 0.00326293/step Wall: 15507.9, 0.00326293/step, 0.109852 hours remaining, 238.472656 MB of memory in use. ENERGY: 4878800 3953.2049 20451.3706 14481.5657 258.3737 -203289.0438 2330.5860 0.0000 0.0000 52164.7051 -109649.2379 299.7913 -161813.9430 -109293.8392 299.3215 -72.0907 -40.6292 760044.5175 12.9276 13.0762 PRESSURE: 4879000 -44.0328 -198.91 19.0075 -198.91 -79.9642 -236.84 19.0074 -236.841 96.6023 GPRESSURE: 4879000 74.2909 -228.797 28.5205 -256.223 -109.421 -143.22 144.308 -161.028 105.548 PRESSAVG: 4879000 81.8915 29.1128 -12.9399 29.1128 -29.0959 7.37653 -12.9399 7.37658 5.9372 GPRESSAVG: 4879000 81.4921 30.3337 -15.1346 29.3449 -28.9083 7.13074 -13.002 9.16444 6.37158 TIMING: 4879000 CPU: 15508.6, 0.00324893/step Wall: 15508.6, 0.00324893/step, 0.1092 hours remaining, 238.472656 MB of memory in use. ENERGY: 4879000 3936.6632 20528.4499 14407.5103 244.2161 -203582.8850 2410.6490 0.0000 0.0000 52109.6494 -109945.7472 299.4749 -162055.3965 -109576.5284 299.3540 -9.1316 23.4727 760588.9100 19.5776 19.6518 PRESSURE: 4879200 34.3544 -68.3557 -86.9225 -68.3558 496.055 -64.1151 -86.9231 -64.1157 -308.223 GPRESSURE: 4879200 12.1838 -129.066 -61.8242 -59.0616 405.754 3.65457 -71.4221 -73.1156 -128.78 PRESSAVG: 4879200 41.9475 9.54753 -6.14793 9.54747 2.3914 15.5131 -6.14795 15.5131 -32.2287 GPRESSAVG: 4879200 41.7585 7.38632 -5.18524 7.92523 1.28493 16.8562 -5.90656 13.0322 -31.7485 TIMING: 4879200 CPU: 15509.2, 0.00323888/step Wall: 15509.2, 0.00323887/step, 0.108682 hours remaining, 238.472656 MB of memory in use. ENERGY: 4879200 3991.5871 20505.9042 14451.2785 238.3249 -203638.5125 2640.3640 0.0000 0.0000 52009.6368 -109801.4169 298.9001 -161811.0537 -109444.0300 298.5356 74.0621 96.3859 760160.1576 4.0367 3.7650 PRESSURE: 4879400 -61.344 -61.9178 94.0111 -61.9185 -266.608 -81.5505 94.0117 -81.5498 -16.6168 GPRESSURE: 4879400 23.2327 -133.641 147.013 -7.63164 -270.024 -151.348 -16.353 -15.9159 -6.21927 PRESSAVG: 4879400 33.1053 -6.87533 20.8418 -6.87532 -84.437 41.3979 20.8419 41.398 0.371367 GPRESSAVG: 4879400 33.2065 -4.41536 21.7063 -5.38362 -84.3056 39.8517 17.4687 43.7631 0.102516 TIMING: 4879400 CPU: 15509.9, 0.00319543/step Wall: 15509.9, 0.00319543/step, 0.107047 hours remaining, 238.472656 MB of memory in use. ENERGY: 4879400 4009.3198 20538.3889 14452.5861 250.5863 -203579.5548 2529.3602 0.0000 0.0000 51868.6198 -109930.6937 298.0897 -161799.3135 -109568.8825 298.4454 -114.8561 -84.3370 760791.2058 -16.9868 -16.9989 PRESSURE: 4879600 -90.0826 -34.1876 -249.246 -34.1874 -133.752 -8.77359 -249.245 -8.77427 345.99 GPRESSURE: 4879600 32.83 -91.3714 -242.354 17.7026 -84.0312 -26.5908 -201.48 -41.6891 266.605 PRESSAVG: 4879600 94.0417 -53.9579 -25.0977 -53.9579 -47.7441 -45.6005 -25.0976 -45.6006 12.4908 GPRESSAVG: 4879600 94.0547 -55.5204 -26.7446 -56.2592 -48.3179 -45.2066 -22.2994 -47.418 13.2912 TIMING: 4879600 CPU: 15510.5, 0.0032041/step Wall: 15510.5, 0.0032041/step, 0.107159 hours remaining, 238.472656 MB of memory in use. ENERGY: 4879600 3972.5489 20366.7265 14552.3044 249.7848 -203004.2650 2063.6009 0.0000 0.0000 51946.9235 -109852.3761 298.5397 -161799.2997 -109482.8213 299.0554 40.7187 71.8012 761193.6655 19.5961 19.6760 PRESSURE: 4879800 -112.577 41.9243 189.291 41.9243 -240.351 -15.7505 189.291 -15.7513 244.563 GPRESSURE: 4879800 -91.0317 69.1854 275.391 54.0194 -199.055 24.9527 196.052 -134.564 278.117 PRESSAVG: 4879800 33.5115 -24.9408 -6.6393 -24.9408 -90.6381 -33.9991 -6.63927 -33.9991 2.07078 GPRESSAVG: 4879800 33.9177 -23.4386 -4.50786 -23.0001 -89.4094 -34.4831 -6.65951 -31.5711 1.10482 TIMING: 4879800 CPU: 15511.1, 0.00323711/step Wall: 15511.1, 0.00323711/step, 0.108083 hours remaining, 238.472656 MB of memory in use. ENERGY: 4879800 3903.2912 20350.8852 14417.6128 238.2086 -203567.2276 2574.3968 0.0000 0.0000 52184.9984 -109897.8346 299.9079 -162082.8330 -109525.1989 299.5319 -36.1214 -3.9901 760497.6259 -18.3520 -18.1290 PRESSURE: 4880000 -27.1872 -107.571 4.44291 -107.571 -566.297 -25.4377 4.44402 -25.4372 -514.178 GPRESSURE: 4880000 -9.60516 -118.061 13.259 -111.39 -510.72 -22.7839 -194.454 -43.3601 -496.551 PRESSAVG: 4880000 17.174 -65.6363 -31.5646 -65.6363 -57.777 -75.4137 -31.5647 -75.4137 21.0821 GPRESSAVG: 4880000 16.4791 -67.0976 -32.3646 -65.8376 -58.0882 -75.1441 -31.1059 -76.1219 21.7579 TIMING: 4880000 CPU: 15511.8, 0.0032284/step Wall: 15511.8, 0.0032284/step, 0.107613 hours remaining, 238.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4880000 3968.4729 20481.3729 14497.0240 247.9797 -203261.2300 2287.8473 0.0000 0.0000 51864.1472 -109914.3860 298.0640 -161778.5332 -109556.6268 299.2263 -369.2206 -338.9589 760715.2363 -6.5070 -6.6171 PRESSURE: 4880200 12.6813 -3.97562 -333.63 -3.97649 -55.2102 -135.139 -333.629 -135.139 503.178 GPRESSURE: 4880200 157.795 -150.922 -248.559 -34.143 11.189 -137.067 -312.838 -85.0936 374.365 PRESSAVG: 4880200 -9.97357 -28.0942 -40.7396 -28.0942 -42.0344 -36.2939 -40.7396 -36.2939 -37.6784 GPRESSAVG: 4880200 -8.09334 -28.1138 -40.0306 -30.4864 -41.7831 -35.7847 -39.8291 -37.6787 -39.5878 TIMING: 4880200 CPU: 15512.4, 0.00323215/step Wall: 15512.4, 0.00323215/step, 0.107559 hours remaining, 238.472656 MB of memory in use. ENERGY: 4880200 3993.4789 20335.1065 14506.3081 258.8024 -203389.6582 2522.3872 0.0000 0.0000 51978.0598 -109795.5153 298.7186 -161773.5751 -109428.0376 298.5229 153.5497 181.1166 761019.0516 -29.8955 -29.8214 LDB: ============= START OF LOAD BALANCING ============== 15524.8 LDB: ============== END OF LOAD BALANCING =============== 15524.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15524.8 LDB: ============= START OF LOAD BALANCING ============== 15525.2 LDB: Largest compute 7047 load 0.035131 is 17.9% of average load 0.196032 LDB: Average compute 0.004425 is 2.3% of average load 0.196032 LDB: TIME 15525.2 LOAD: AVG 0.196032 MAX 0.215144 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.562 MB LDB: TIME 15525.2 LOAD: AVG 0.196032 MAX 0.215144 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.562 MB LDB: TIME 15525.2 LOAD: AVG 0.196032 MAX 0.215144 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.562 MB LDB: ============== END OF LOAD BALANCING =============== 15525.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15525.2 PRESSURE: 4880400 -191.154 -13.5556 -111.122 -13.5562 -54.7681 -259.421 -111.122 -259.421 193.232 GPRESSURE: 4880400 -156.469 46.8671 -102.396 20.3795 -14.3905 -288.226 -246.983 -107.555 204.235 PRESSAVG: 4880400 33.1586 -14.2719 6.08227 -14.2719 -35.1336 -49.1756 6.08225 -49.1756 12.6145 GPRESSAVG: 4880400 32.5192 -12.5811 5.38472 -14.0646 -36.1966 -50.277 4.81956 -45.4011 13.8004 TIMING: 4880400 CPU: 15513.1, 0.00330636/step Wall: 15513.1, 0.00330636/step, 0.109845 hours remaining, 239.125000 MB of memory in use. ENERGY: 4880400 3957.5506 20558.6351 14472.6550 263.5557 -203580.5903 2464.4443 0.0000 0.0000 52007.8711 -109855.8784 298.8900 -161863.7496 -109480.3918 298.3842 -17.5632 11.1253 759200.7267 3.5465 3.3743 PRESSURE: 4880600 145.776 44.5933 -35.8408 44.5941 -0.032491 22.3678 -35.8397 22.3686 133.298 GPRESSURE: 4880600 173.967 66.7784 -86.3926 92.7255 16.6016 -45.0839 -110.37 67.6247 155.959 PRESSAVG: 4880600 56.1734 -33.1029 -22.8391 -33.1029 -42.0467 -61.1341 -22.8391 -61.1341 -12.711 GPRESSAVG: 4880600 54.5852 -33.6218 -21.8888 -29.4103 -40.8439 -61.0341 -22.8183 -63.383 -12.157 TIMING: 4880600 CPU: 15513.7, 0.00322102/step Wall: 15513.7, 0.00322102/step, 0.106831 hours remaining, 239.328125 MB of memory in use. ENERGY: 4880600 3918.8711 20466.2528 14540.6105 246.8633 -203599.8211 2627.8240 0.0000 0.0000 51893.2988 -109906.1006 298.2315 -161799.3994 -109549.0754 298.2660 93.0140 115.5092 759957.7810 0.4719 0.5281 PRESSURE: 4880800 108.109 216.086 -226.833 216.086 213.737 372.785 -226.834 372.784 -23.227 GPRESSURE: 4880800 76.6133 178.318 -225.354 114.778 277.004 370.605 -275.873 306.451 30.6165 PRESSAVG: 4880800 37.6894 -19.9126 -24.1211 -19.9126 4.41705 -54.0352 -24.1211 -54.0352 -20.1343 GPRESSAVG: 4880800 38.657 -19.9912 -25.6656 -23.5269 3.40966 -53.2979 -23.0879 -53.0624 -19.7749 TIMING: 4880800 CPU: 15514.4, 0.00321402/step Wall: 15514.4, 0.00321402/step, 0.10642 hours remaining, 239.328125 MB of memory in use. ENERGY: 4880800 3989.5524 20429.5064 14475.3960 264.2987 -203407.8430 2468.1452 0.0000 0.0000 51839.6749 -109941.2694 297.9233 -161780.9443 -109582.4476 298.4272 99.5398 128.0778 758447.4802 7.3240 7.4306 PRESSURE: 4881000 -170.497 73.419 5.13422 73.4195 -301.293 -77.4238 5.13499 -77.422 -50.2814 GPRESSURE: 4881000 -151.941 116.914 40.6073 50.2162 -226.427 -139.459 96.8368 -4.22649 -64.8389 PRESSAVG: 4881000 19.5745 -6.52623 7.88544 -6.52619 5.62746 43.3206 7.88545 43.3207 -5.9298 GPRESSAVG: 4881000 19.0163 -6.34631 9.58215 -6.30356 6.62225 42.3557 7.8197 42.6291 -6.47622 TIMING: 4881000 CPU: 15515, 0.00322123/step Wall: 15515, 0.00322123/step, 0.10648 hours remaining, 239.328125 MB of memory in use. ENERGY: 4881000 3977.8300 20308.9967 14490.5873 245.0784 -203113.1261 2297.4260 0.0000 0.0000 51992.7165 -109800.4913 298.8029 -161793.2078 -109433.5440 298.3089 -174.0238 -147.7359 760969.2203 6.4241 6.3874 PRESSURE: 4881200 -517.905 50.1765 47.9143 50.1759 -257.518 -141.373 47.914 -141.373 25.898 GPRESSURE: 4881200 -496.438 -80.7812 22.4041 87.0158 -115.088 -122.973 116.713 -149.777 -40.2075 PRESSAVG: 4881200 39.7748 -45.8333 15.786 -45.8334 -25.8846 -28.6171 15.786 -28.6171 5.00072 GPRESSAVG: 4881200 40.1165 -47.1502 15.6963 -44.717 -26.0157 -26.4934 14.1468 -30.1818 5.27863 TIMING: 4881200 CPU: 15515.7, 0.00319413/step Wall: 15515.7, 0.00319413/step, 0.105406 hours remaining, 239.328125 MB of memory in use. ENERGY: 4881200 3968.7067 20340.9562 14379.7099 264.0120 -203337.5897 2440.2768 0.0000 0.0000 51940.6112 -110003.3170 298.5034 -161943.9281 -109635.1707 298.6481 -249.8416 -217.2446 760769.1862 6.2970 6.4598 PRESSURE: 4881400 -186.635 209.556 55.7264 209.555 -253.451 64.8364 55.7262 64.8352 156.463 GPRESSURE: 4881400 -143.773 124.634 0.437414 188.468 -242.563 -11.9255 67.6785 9.14014 190.147 PRESSAVG: 4881400 -20.3323 -66.1361 28.9172 -66.1361 -1.62507 -47.2094 28.9173 -47.2094 -10.6758 GPRESSAVG: 4881400 -21.4683 -65.5521 28.8334 -66.2905 -1.19627 -47.5488 28.8759 -46.7755 -10.2108 TIMING: 4881400 CPU: 15516.3, 0.00318661/step Wall: 15516.3, 0.00318661/step, 0.104981 hours remaining, 239.328125 MB of memory in use. ENERGY: 4881400 3954.9176 20420.0556 14390.4173 245.3926 -203373.0093 2340.4241 0.0000 0.0000 52079.6444 -109942.1576 299.3024 -162021.8021 -109572.1865 298.1641 -94.5410 -65.3961 761342.2271 -10.8777 -10.9585 PRESSURE: 4881600 329.511 -178.832 103.214 -178.831 225.992 98.2539 103.214 98.254 -142.181 GPRESSURE: 4881600 332.002 -192.663 130.164 -90.7155 231.058 168.068 91.4347 94.2121 -77.9383 PRESSAVG: 4881600 49.1398 -70.9745 -20.3339 -70.9745 -44.1688 -3.1186 -20.3338 -3.11865 23.2917 GPRESSAVG: 4881600 49.2686 -71.0356 -19.6851 -69.3276 -44.3338 -3.65217 -21.5718 -1.94813 23.4045 TIMING: 4881600 CPU: 15516.9, 0.00317582/step Wall: 15516.9, 0.00317581/step, 0.104449 hours remaining, 239.328125 MB of memory in use. ENERGY: 4881600 3943.5575 20512.5324 14519.6441 261.6333 -203739.7001 2710.1082 0.0000 0.0000 51894.2299 -109897.9948 298.2369 -161792.2247 -109546.4029 298.7598 137.7738 161.7073 759416.1252 9.4209 9.4464 PRESSURE: 4881800 -378.819 -247.833 87.8272 -247.833 -49.9772 -96.1845 87.8266 -96.1851 231.535 GPRESSURE: 4881800 -303.582 -213.481 105.745 -232.934 -35.1513 -137.157 -62.0053 68.7246 239.145 PRESSAVG: 4881800 33.1656 -40.5561 -60.454 -40.5561 -3.34803 -10.3125 -60.454 -10.3125 1.56427 GPRESSAVG: 4881800 34.3726 -39.8614 -62.1157 -40.6225 -3.25939 -10.635 -58.0224 -10.8751 0.782247 TIMING: 4881800 CPU: 15517.6, 0.00318962/step Wall: 15517.6, 0.00318962/step, 0.104726 hours remaining, 239.328125 MB of memory in use. ENERGY: 4881800 4029.7140 20466.6855 14503.6546 234.1854 -203623.7734 2552.8148 0.0000 0.0000 52067.0447 -109769.6743 299.2300 -161836.7190 -109415.7736 298.8733 -65.7537 -33.1960 760223.4298 10.4606 10.6318 PRESSURE: 4882000 -50.707 135.629 8.12815 135.629 -57.7822 -287.357 8.12858 -287.357 164.752 GPRESSURE: 4882000 -31.7847 66.5336 28.8986 178.377 -46.2072 -317.922 1.41204 -148.073 219.75 PRESSAVG: 4882000 41.2699 -20.6023 -3.31213 -20.6023 1.56854 -3.37357 -3.31215 -3.3736 0.476159 GPRESSAVG: 4882000 40.2633 -22.4769 -4.36041 -21.1882 2.01137 -5.02975 -3.33693 -1.44935 1.44571 TIMING: 4882000 CPU: 15518.2, 0.00320087/step Wall: 15518.2, 0.00320087/step, 0.104917 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4882000 4032.8167 20443.8203 14420.8721 232.3573 -203227.7741 2538.5806 0.0000 0.0000 51950.1228 -109609.2043 298.5581 -161559.3271 -109254.9575 299.0482 18.7543 47.2528 759865.3365 14.4382 14.5735 PRESSURE: 4882200 -58.9527 47.59 -147.442 47.59 -334.237 -96.4316 -147.441 -96.4322 -62.7938 GPRESSURE: 4882200 15.7434 28.2488 -83.5825 12.6857 -320.331 -75.2094 -126.428 -149.792 -57.5256 PRESSAVG: 4882200 8.94146 -9.82482 30.1582 -9.82483 0.869053 3.5527 30.1582 3.55272 2.6691 GPRESSAVG: 4882200 10.6449 -7.1907 31.5007 -11.8331 0.494034 4.99892 30.4808 5.33544 1.58521 TIMING: 4882200 CPU: 15518.9, 0.00318745/step Wall: 15518.9, 0.00318745/step, 0.104301 hours remaining, 239.328125 MB of memory in use. ENERGY: 4882200 3919.4986 20357.8136 14426.2091 255.1999 -203085.3609 2218.8057 0.0000 0.0000 52137.9927 -109769.8412 299.6378 -161907.8339 -109402.7868 298.9184 -151.9944 -120.7043 760705.7231 4.1599 4.2414 PRESSURE: 4882400 -169.517 73.528 -54.8447 73.5282 -1.53585 -164.72 -54.8449 -164.72 -328.202 GPRESSURE: 4882400 -199.51 32.8724 -78.4987 111.075 29.5759 -195.55 -180.123 -124.515 -242.358 PRESSAVG: 4882400 3.62149 -3.79689 21.0249 -3.79689 -32.4767 -29.6226 21.0249 -29.6226 -15.6052 GPRESSAVG: 4882400 2.77212 -5.49955 20.8148 -1.42846 -32.8118 -27.7231 22.1669 -33.0093 -14.8839 TIMING: 4882400 CPU: 15519.5, 0.00320403/step Wall: 15519.5, 0.00320403/step, 0.104665 hours remaining, 239.328125 MB of memory in use. ENERGY: 4882400 4009.5610 20294.0448 14526.7347 237.0582 -203016.1053 2153.5815 0.0000 0.0000 51822.8050 -109972.3201 297.8264 -161795.1251 -109606.3546 298.2296 -166.4185 -137.4308 759210.7339 -14.8201 -14.9745 PRESSURE: 4882600 261.323 57.6092 32.9158 57.6094 -129.77 75.0489 32.9157 75.0486 -73.1866 GPRESSURE: 4882600 248.896 18.3187 12.4669 25.4442 4.3225 41.021 54.8904 69.0342 -125.341 PRESSAVG: 4882600 67.6356 -47.4516 -5.04619 -47.4515 -26.1706 4.96648 -5.04617 4.96641 20.5783 GPRESSAVG: 4882600 68.1402 -47.561 -5.20601 -47.6911 -25.0838 4.87607 -7.22952 5.02897 19.5549 TIMING: 4882600 CPU: 15520.1, 0.00321471/step Wall: 15520.1, 0.00321471/step, 0.104835 hours remaining, 239.328125 MB of memory in use. ENERGY: 4882600 3963.3798 20173.6353 14398.3280 231.0978 -203333.7360 2548.5506 0.0000 0.0000 52101.3724 -109917.3720 299.4273 -162018.7444 -109557.6191 298.2948 19.4554 42.6259 760932.2946 20.6811 20.8705 PRESSURE: 4882800 -47.7448 112.359 -117.474 112.359 -113.357 -48.3511 -117.474 -48.3506 170.536 GPRESSURE: 4882800 -126.687 61.072 -142.856 140.994 49.1213 6.66597 -61.4689 -69.4872 166.029 PRESSAVG: 4882800 38.139 -89.1237 -28.4684 -89.1237 -37.5584 -16.647 -28.4684 -16.647 -14.8326 GPRESSAVG: 4882800 37.9837 -89.5075 -28.8839 -89.1635 -37.4252 -19.1788 -26.7184 -14.8547 -14.8302 TIMING: 4882800 CPU: 15520.8, 0.0032104/step Wall: 15520.8, 0.0032104/step, 0.104516 hours remaining, 239.328125 MB of memory in use. ENERGY: 4882800 3981.7287 20341.3928 14425.0243 242.8808 -203485.5945 2542.9681 0.0000 0.0000 51929.2097 -110022.3900 298.4379 -161951.5997 -109666.1979 297.8526 3.1448 29.4876 760699.5594 -4.7507 -4.7572 PRESSURE: 4883000 -41.7571 175.23 213.483 175.229 -305.948 -46.6463 213.483 -46.6461 113.599 GPRESSURE: 4883000 76.4435 166.19 211.555 245.648 -248.886 -138.775 369.318 21.0367 38.1009 PRESSAVG: 4883000 30.1659 -28.2012 28.8924 -28.2011 10.0147 13.6428 28.8924 13.6429 0.699008 GPRESSAVG: 4883000 29.7105 -26.8477 29.0962 -27.6293 9.49659 13.167 29.2839 13.5461 1.88042 TIMING: 4883000 CPU: 15521.4, 0.00322761/step Wall: 15521.4, 0.00322761/step, 0.104897 hours remaining, 239.328125 MB of memory in use. ENERGY: 4883000 3921.4561 20321.5208 14411.4443 219.1758 -203119.5437 2277.5782 0.0000 0.0000 51815.1650 -110153.2035 297.7825 -161968.3685 -109787.0230 297.8281 -78.0353 -44.7804 761929.8272 13.6265 13.6958 PRESSURE: 4883200 -77.6912 65.1224 -38.4084 65.1223 -64.616 320.928 -38.4083 320.927 299.096 GPRESSURE: 4883200 56.1455 42.6328 -26.8652 80.1056 -115.43 369.064 -304.866 241.796 308.435 PRESSAVG: 4883200 -35.0033 -6.07285 -9.28138 -6.07285 24.6428 -24.9732 -9.28146 -24.9732 -21.0233 GPRESSAVG: 4883200 -34.2078 -7.67402 -11.2547 -6.12277 24.2835 -23.1072 -9.85058 -26.9042 -21.4444 TIMING: 4883200 CPU: 15522.1, 0.00324788/step Wall: 15522.1, 0.00324788/step, 0.105376 hours remaining, 239.328125 MB of memory in use. ENERGY: 4883200 3941.1991 20356.8668 14378.0033 257.4195 -203333.7978 2525.9863 0.0000 0.0000 51924.5392 -109949.7835 298.4110 -161874.3227 -109592.0738 297.6018 52.2630 83.0502 761116.9024 -10.4613 -10.4562 PRESSURE: 4883400 220.517 -21.1505 403.848 -21.1515 -71.1525 36.8897 403.849 36.8908 -60.6495 GPRESSURE: 4883400 125.948 9.6219 358.343 67.1282 92.1053 45.9395 401.816 101.722 -36.4161 PRESSAVG: 4883400 -33.2295 5.44659 -1.99783 5.44662 -13.2875 2.44932 -1.9978 2.44935 7.85932 GPRESSAVG: 4883400 -32.5095 5.36588 -0.364139 3.24591 -12.933 2.65756 -3.83179 4.21716 7.13959 TIMING: 4883400 CPU: 15522.7, 0.00322102/step Wall: 15522.7, 0.00322102/step, 0.104325 hours remaining, 239.328125 MB of memory in use. ENERGY: 4883400 3986.7120 20475.9166 14394.2316 239.0189 -203034.6263 2302.7923 0.0000 0.0000 51843.9304 -109792.0244 297.9478 -161635.9548 -109428.3715 297.9811 29.5716 60.5457 760483.1321 -12.8859 -12.7676 PRESSURE: 4883600 -39.921 -77.8927 -73.465 -77.8933 1.15424 -248.423 -73.4653 -248.423 -73.473 GPRESSURE: 4883600 62.1446 -62.5295 -31.3085 -94.1162 -47.0704 -233.331 -44.6324 -180.93 -41.4505 PRESSAVG: 4883600 -23.0451 -31.9315 34.4765 -31.9316 44.3717 18.7906 34.4764 18.7906 -23.6017 GPRESSAVG: 4883600 -23.1232 -31.5165 34.8458 -31.5887 44.9726 18.7455 36.5815 17.4711 -22.9783 TIMING: 4883600 CPU: 15523.4, 0.00320061/step Wall: 15523.4, 0.00320061/step, 0.103486 hours remaining, 239.328125 MB of memory in use. ENERGY: 4883600 4013.8687 20541.8067 14319.3300 268.6761 -203342.9264 2371.2833 0.0000 0.0000 52220.0441 -109607.9175 300.1093 -161827.9616 -109241.3572 298.8857 -37.4133 -8.7921 761314.5041 -0.7584 -0.3763 PRESSURE: 4883800 46.0789 -176.409 137.727 -176.409 -287.319 23.9327 137.727 23.9333 -198.978 GPRESSURE: 4883800 57.6731 -147.005 161.236 -145.906 -271.519 -20.4314 29.3463 37.0803 -114.584 PRESSAVG: 4883800 -24.1133 -54.7344 14.8896 -54.7344 31.9311 9.16755 14.8895 9.16746 -11.7532 GPRESSAVG: 4883800 -24.3782 -54.8216 15.7953 -54.6095 31.0594 7.69218 12.3703 9.8782 -10.6813 TIMING: 4883800 CPU: 15524, 0.00319187/step Wall: 15524, 0.00319187/step, 0.103026 hours remaining, 239.328125 MB of memory in use. ENERGY: 4883800 4058.3213 20411.6574 14464.9750 258.6190 -203190.2835 2414.3092 0.0000 0.0000 52008.9748 -109573.4269 298.8963 -161582.4017 -109213.7005 299.9580 -146.7393 -109.4768 760004.8640 -1.3118 -1.3334 PRESSURE: 4884000 0.629681 -71.503 -43.6078 -71.5024 -360.906 158.49 -43.6077 158.491 -12.2627 GPRESSURE: 4884000 -89.1882 67.4698 -68.746 40.1995 -247.214 182.312 -3.75492 113.362 67.158 PRESSAVG: 4884000 14.5791 -4.55038 56.162 -4.55037 -14.9528 -49.064 56.1619 -49.064 -6.38142 GPRESSAVG: 4884000 13.9722 -2.82037 54.0764 -4.22064 -14.619 -46.8727 56.6247 -50.1661 -6.19543 TIMING: 4884000 CPU: 15524.6, 0.00319806/step Wall: 15524.6, 0.00319806/step, 0.103049 hours remaining, 239.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4884000 3952.0807 20594.2911 14453.8437 229.8955 -203235.7626 2660.8293 0.0000 0.0000 51962.5396 -109382.2827 298.6294 -161344.8223 -109038.3419 299.3260 -124.1798 -89.7481 760381.7419 -2.2517 -2.2808 PRESSURE: 4884200 -56.2128 -81.8227 89.76 -81.8217 -81.5445 -132 89.76 -131.998 144.909 GPRESSURE: 4884200 -38.3144 -177.615 129.302 -51.4343 -38.9233 -102.229 9.6886 -308.315 175.992 PRESSAVG: 4884200 8.64703 -21.3486 -4.15541 -21.3486 -11.7723 -32.9491 -4.15536 -32.949 1.63422 GPRESSAVG: 4884200 9.51459 -21.7155 -3.63988 -20.2607 -10.721 -34.6774 -2.29688 -30.0832 0.0167518 TIMING: 4884200 CPU: 15525.3, 0.00321228/step Wall: 15525.3, 0.00321228/step, 0.103328 hours remaining, 239.328125 MB of memory in use. ENERGY: 4884200 3983.4278 20579.2101 14443.7674 208.2542 -203375.4444 2477.8555 0.0000 0.0000 52492.2163 -109190.7130 301.6735 -161682.9293 -108820.4933 300.2761 2.3837 32.9181 760723.7595 -0.4970 -0.3966 LDB: ============= START OF LOAD BALANCING ============== 15537.7 LDB: ============== END OF LOAD BALANCING =============== 15537.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15537.7 LDB: ============= START OF LOAD BALANCING ============== 15538 LDB: Largest compute 7047 load 0.036212 is 18.5% of average load 0.195832 LDB: Average compute 0.004432 is 2.3% of average load 0.195832 LDB: TIME 15538 LOAD: AVG 0.195832 MAX 0.222836 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 15538 LOAD: AVG 0.195832 MAX 0.222836 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 15538 LOAD: AVG 0.195832 MAX 0.222836 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 15538 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15538 PRESSURE: 4884400 -359.355 -74.7676 -118.281 -74.7667 -216.493 -75.7584 -118.281 -75.7586 -361.356 GPRESSURE: 4884400 -254.245 -161.649 -49.6645 -134.985 -249.068 -75.019 14.0294 -98.5767 -354.688 PRESSAVG: 4884400 -31.3812 -7.42072 -15.0532 -7.42065 37.0274 4.62318 -15.0532 4.62306 -3.21394 GPRESSAVG: 4884400 -31.2467 -9.914 -14.5835 -7.38929 36.1727 5.05772 -16.3715 1.63529 -2.95364 TIMING: 4884400 CPU: 15525.9, 0.00331388/step Wall: 15525.9, 0.00331388/step, 0.106412 hours remaining, 239.695312 MB of memory in use. ENERGY: 4884400 3973.2604 20603.2447 14424.5281 232.4128 -203013.3338 2168.1589 0.0000 0.0000 52361.6400 -109250.0889 300.9231 -161611.7289 -108887.7218 300.3268 -312.4016 -286.0003 761405.3758 0.8108 0.6574 PRESSURE: 4884600 -69.6427 -68.5227 -43.9826 -68.5233 114.07 -60.703 -43.9829 -60.7033 -218.314 GPRESSURE: 4884600 81.9613 -18.5262 -80.7146 -177.73 76.4425 -112.326 -31.5384 23.9262 -267.997 PRESSAVG: 4884600 -5.43552 -55.5886 18.8287 -55.5886 -26.4797 1.28241 18.8287 1.28245 13.4907 GPRESSAVG: 4884600 -6.05992 -54.7859 17.4048 -56.7622 -25.7555 0.426425 20.9038 3.36595 13.5354 TIMING: 4884600 CPU: 15526.6, 0.00322488/step Wall: 15526.6, 0.00322488/step, 0.103375 hours remaining, 239.898438 MB of memory in use. ENERGY: 4884600 4002.7365 20513.7336 14431.2253 244.6437 -203300.5063 2554.2727 0.0000 0.0000 52238.1104 -109315.7842 300.2131 -161553.8946 -108948.3056 299.6559 -57.9622 -36.5310 760649.9465 -6.1415 -6.0933 PRESSURE: 4884800 -388.526 -71.2434 -46.6612 -71.2434 128.857 -208.75 -46.6607 -208.75 -192.832 GPRESSURE: 4884800 -373.601 12.7862 -67.0621 -132.075 224.682 -200.729 -2.54163 -60.7305 -227.948 PRESSAVG: 4884800 41.4026 -3.28155 -12.1987 -3.28162 -35.5161 -92.8358 -12.1987 -92.8358 -20.856 GPRESSAVG: 4884800 40.8071 -2.266 -10.2273 -4.08436 -34.0473 -92.4056 -13.2576 -92.1479 -22.037 TIMING: 4884800 CPU: 15527.2, 0.00320629/step Wall: 15527.2, 0.00320629/step, 0.102601 hours remaining, 239.898438 MB of memory in use. ENERGY: 4884800 3972.4381 20606.6808 14430.5053 241.0086 -203185.4716 2434.7489 0.0000 0.0000 52269.9000 -109230.1899 300.3958 -161500.0899 -108870.9933 299.7515 -150.8339 -125.6225 760284.5131 -4.9898 -5.0924 PRESSURE: 4885000 -243.536 -140.323 35.9483 -140.323 -311.247 195.196 35.9477 195.195 -492.787 GPRESSURE: 4885000 -213.322 -191.628 72.9219 -181.972 -363.869 153.289 3.58441 203.577 -396.422 PRESSAVG: 4885000 15.8564 -0.955201 1.03645 -0.955127 4.62913 -8.74006 1.03643 -8.74019 7.39158 GPRESSAVG: 4885000 16.8393 0.225973 0.901894 -0.955565 2.32374 -8.10679 -2.40471 -10.1474 8.59895 TIMING: 4885000 CPU: 15527.9, 0.00318726/step Wall: 15527.9, 0.00318726/step, 0.101815 hours remaining, 239.898438 MB of memory in use. ENERGY: 4885000 3977.1774 20545.2807 14437.7175 233.5427 -202958.0466 2185.3986 0.0000 0.0000 52434.4700 -109144.4597 301.3416 -161578.9297 -108774.3919 300.5590 -349.1898 -324.5376 761054.7892 9.2924 9.2540 PRESSURE: 4885200 -136.016 -16.3515 218.626 -16.3516 -229.991 101.999 218.626 101.999 80.1497 GPRESSURE: 4885200 -150.268 -26.9998 372.314 48.5632 -80.3748 42.9129 250.127 170.562 50.2138 PRESSAVG: 4885200 13.9314 -54.1999 56.7805 -54.1998 -16.7441 11.1686 56.7805 11.1685 -4.79845 GPRESSAVG: 4885200 13.2642 -55.1464 57.0724 -54.0728 -16.1261 11.2425 60.9268 12.3698 -5.5613 TIMING: 4885200 CPU: 15528.5, 0.00321264/step Wall: 15528.5, 0.00321264/step, 0.102448 hours remaining, 239.898438 MB of memory in use. ENERGY: 4885200 4020.9258 20459.2102 14423.8998 235.4718 -202947.7793 2288.7519 0.0000 0.0000 52281.6426 -109237.8773 300.4633 -161519.5199 -108875.3613 299.8789 -95.2856 -60.1430 759917.0195 -2.5370 -2.8077 PRESSURE: 4885400 -15.3295 99.534 161.949 99.5344 -178.115 2.17945 161.949 2.17964 -383.511 GPRESSURE: 4885400 -81.5687 -90.6948 153.379 127.377 -68.6166 50.6597 56.6066 -46.743 -364.733 PRESSAVG: 4885400 22.4374 55.4452 10.0215 55.4453 -53.6912 25.5686 10.0215 25.5687 -12.2754 GPRESSAVG: 4885400 21.9259 56.0114 8.51572 55.1844 -53.2955 23.7364 11.3753 25.0577 -12.3849 TIMING: 4885400 CPU: 15529.2, 0.00324988/step Wall: 15529.2, 0.00324988/step, 0.103455 hours remaining, 239.898438 MB of memory in use. ENERGY: 4885400 3962.0522 20553.2868 14469.0515 256.1123 -202680.2140 2009.4676 0.0000 0.0000 51876.2413 -109554.0022 298.1335 -161430.2435 -109195.8320 299.9325 -192.3186 -171.6393 760959.3777 -14.5097 -14.5848 PRESSURE: 4885600 79.7076 -53.0653 -23.0812 -53.0644 -285.014 -85.0284 -23.0815 -85.0296 176.129 GPRESSURE: 4885600 47.4485 59.0209 -65.3289 67.2041 -127.483 -3.17273 -18.581 -52.1834 138.824 PRESSAVG: 4885600 30.1496 -25.3004 -23.6657 -25.3004 -32.9745 -29.2194 -23.6657 -29.2194 -4.12948 GPRESSAVG: 4885600 31.1021 -24.7349 -22.5368 -24.5077 -33.3149 -28.1857 -27.014 -27.3122 -5.3752 TIMING: 4885600 CPU: 15529.8, 0.00322783/step Wall: 15529.8, 0.00322783/step, 0.102573 hours remaining, 239.898438 MB of memory in use. ENERGY: 4885600 3998.5035 20567.3049 14454.7023 240.7089 -203433.5690 2554.8802 0.0000 0.0000 52054.4661 -109563.0031 299.1577 -161617.4692 -109202.3796 299.6261 -9.7260 19.5964 760602.8300 -2.3181 -2.5294 PRESSURE: 4885800 10.8786 57.8282 122.565 57.8276 -114.236 -29.3493 122.565 -29.3498 -149.376 GPRESSURE: 4885800 -26.932 38.8914 53.0018 94.7618 -111.771 29.3881 106.659 -70.9875 -20.1423 PRESSAVG: 4885800 56.3194 -12.8998 -2.27386 -12.8998 -32.0555 19.8223 -2.27397 19.8223 8.02173 GPRESSAVG: 4885800 55.3674 -13.0262 -1.83859 -12.5228 -32.0754 20.3729 -2.67017 18.8884 8.77398 TIMING: 4885800 CPU: 15530.5, 0.00323808/step Wall: 15530.5, 0.00323808/step, 0.102719 hours remaining, 239.898438 MB of memory in use. ENERGY: 4885800 4009.7459 20464.1397 14474.4423 254.8602 -203817.7696 2688.4722 0.0000 0.0000 52293.2957 -109632.8135 300.5303 -161926.1092 -109273.7739 299.7785 -84.2443 -52.9484 758477.2544 10.7619 10.6887 PRESSURE: 4886000 174.655 -45.0462 51.3653 -45.0457 320.225 182.925 51.3661 182.925 348.484 GPRESSURE: 4886000 298.841 -37.3706 83.2848 -38.2944 288.788 190.234 -52.4345 110.468 367.7 PRESSAVG: 4886000 15.145 -1.92103 -25.5059 -1.92107 -49.5278 3.37197 -25.5058 3.37202 -1.80066 GPRESSAVG: 4886000 16.0188 -3.26305 -28.5708 -3.81328 -50.0754 1.26226 -24.5762 5.1186 -1.99702 TIMING: 4886000 CPU: 15531.1, 0.00320061/step Wall: 15531.1, 0.00320061/step, 0.101353 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4886000 3997.5441 20426.4950 14440.5246 240.6728 -203861.6841 2807.6953 0.0000 0.0000 52187.9457 -109760.8067 299.9248 -161948.7524 -109394.9497 299.9473 281.1216 318.4430 758944.8031 -12.0612 -12.0179 PRESSURE: 4886200 -37.5113 157.102 -106.48 157.103 -214.217 -118.272 -106.481 -118.273 -304.828 GPRESSURE: 4886200 13.7489 148.279 -132.707 106.7 -156.32 -197.373 15.1032 -23.5604 -308.118 PRESSAVG: 4886200 30.9733 -15.7525 -15.0778 -15.7524 -28.3762 10.5277 -15.0778 10.5278 10.5188 GPRESSAVG: 4886200 29.846 -16.5471 -13.7593 -14.1691 -27.4236 13.7556 -15.2415 8.96337 10.6097 TIMING: 4886200 CPU: 15531.7, 0.00320532/step Wall: 15531.7, 0.00320532/step, 0.101324 hours remaining, 239.898438 MB of memory in use. ENERGY: 4886200 3968.2070 20402.3313 14487.3690 251.5329 -203771.3715 2644.7592 0.0000 0.0000 52181.6820 -109835.4902 299.8888 -162017.1722 -109456.0829 298.9108 -185.5191 -150.2298 759494.0071 4.3720 4.3440 PRESSURE: 4886400 51.4794 20.4618 59.7582 20.4616 -10.7213 -109.566 59.7586 -109.566 159.142 GPRESSURE: 4886400 64.0258 137.373 47.9646 5.84556 -19.2762 -75.2341 54.0751 91.1655 227.568 PRESSAVG: 4886400 48.5855 -10.5721 6.98635 -10.5721 -37.0504 -15.1582 6.98634 -15.1581 -16.6014 GPRESSAVG: 4886400 49.0695 -8.73789 8.04567 -9.76613 -36.1486 -16.5027 4.77786 -14.0319 -17.8784 TIMING: 4886400 CPU: 15532.4, 0.00325698/step Wall: 15532.4, 0.00325698/step, 0.102776 hours remaining, 239.898438 MB of memory in use. ENERGY: 4886400 3903.3274 20540.8086 14421.8972 261.7003 -203785.1025 2470.6739 0.0000 0.0000 52318.6598 -109868.0352 300.6761 -162186.6950 -109506.3217 299.3148 66.6334 90.7725 758482.6484 -1.6888 -1.6525 PRESSURE: 4886600 -401.226 -189.651 196.227 -189.652 238.433 -48.3226 196.226 -48.322 170.006 GPRESSURE: 4886600 -281.37 -150.45 245.538 -244.119 234.364 -120.339 59.4199 -54.4465 148.339 PRESSAVG: 4886600 36.2556 0.678705 -14.4904 0.678782 3.68976 -10.3321 -14.4904 -10.3321 -11.4684 GPRESSAVG: 4886600 36.7209 2.27453 -13.6462 -0.718646 1.86649 -10.4539 -11.1643 -12.3044 -9.88874 TIMING: 4886600 CPU: 15533, 0.00324087/step Wall: 15533, 0.00324087/step, 0.102087 hours remaining, 239.898438 MB of memory in use. ENERGY: 4886600 3952.9829 20552.6779 14439.1676 255.7953 -203360.6142 2382.4082 0.0000 0.0000 51996.1802 -109781.4021 298.8228 -161777.5823 -109422.2442 299.2018 2.4040 33.7775 757956.3751 9.4923 9.5662 PRESSURE: 4886800 -390.098 -16.5841 -203.351 -16.5844 203.564 80.0831 -203.352 80.0831 318.276 GPRESSURE: 4886800 -246.023 -7.34963 -158.671 -267.338 127.592 83.7096 -187.032 78.0867 353.672 PRESSAVG: 4886800 -5.62345 -23.9021 -6.84108 -23.9021 1.54628 -3.75046 -6.84103 -3.75044 16.8331 GPRESSAVG: 4886800 -6.13343 -26.4611 -7.12555 -23.4955 3.01047 -4.81617 -8.55102 -3.30752 16.2198 TIMING: 4886800 CPU: 15533.7, 0.00324134/step Wall: 15533.7, 0.00324133/step, 0.101922 hours remaining, 239.898438 MB of memory in use. ENERGY: 4886800 3982.0905 20327.8475 14548.3063 256.9771 -203566.4474 2709.7359 0.0000 0.0000 52151.5097 -109589.9804 299.7154 -161741.4901 -109231.0626 299.2213 43.9139 78.4133 761214.3631 4.2520 4.3656 PRESSURE: 4887000 29.7393 -80.5682 37.0745 -80.5686 -283.647 16.711 37.0743 16.7113 -342.722 GPRESSURE: 4887000 22.7669 -54.6757 -32.4434 -78.7463 -269.501 -30.6938 36.9996 -6.60482 -278.138 PRESSAVG: 4887000 54.2076 22.1534 8.03084 22.1534 6.01933 -25.1928 8.03088 -25.1928 -3.66002 GPRESSAVG: 4887000 55.1255 22.201 7.93301 21.0136 5.03284 -23.8386 8.79303 -25.8697 -3.92633 TIMING: 4887000 CPU: 15534.3, 0.00322793/step Wall: 15534.3, 0.00322794/step, 0.101321 hours remaining, 239.898438 MB of memory in use. ENERGY: 4887000 3937.7211 20386.3141 14460.4410 239.2811 -203556.0405 2636.6012 0.0000 0.0000 52257.8101 -109637.8718 300.3264 -161895.6819 -109265.5923 299.4570 -198.8768 -174.9574 760462.0477 18.8556 18.7440 PRESSURE: 4887200 14.1137 270.946 -29.4075 270.946 107.043 -20.6767 -29.4067 -20.6771 -253.12 GPRESSURE: 4887200 -12.6077 385.336 87.2048 196.336 179.458 19.3079 -137.17 0.676009 -210.392 PRESSAVG: 4887200 34.0169 -27.5833 -13.0825 -27.5833 -56.4539 -18.0571 -13.0824 -18.057 -7.86983 GPRESSAVG: 4887200 34.2703 -26.6949 -13.3178 -24.8709 -56.8494 -17.9901 -12.5234 -17.5582 -7.83394 TIMING: 4887200 CPU: 15535, 0.00321455/step Wall: 15535, 0.00321455/step, 0.100722 hours remaining, 239.898438 MB of memory in use. ENERGY: 4887200 3950.7452 20556.0412 14431.8844 241.9998 -203708.4792 2903.4756 0.0000 0.0000 51998.3877 -109625.9452 298.8354 -161624.3329 -109257.3689 299.1872 -43.9880 -14.5138 760965.6590 -10.1023 -10.1377 PRESSURE: 4887400 -148.545 -192.349 -101.595 -192.35 -279.162 -162.388 -101.595 -162.386 -67.8336 GPRESSURE: 4887400 -41.2859 -220.656 -98.7872 -230.688 -292.933 -154.612 -79.4442 -177.15 -79.6418 PRESSAVG: 4887400 22.5665 -23.9548 8.15201 -23.9548 -28.9868 -48.5301 8.152 -48.5301 3.83337 GPRESSAVG: 4887400 21.6998 -23.1874 9.37995 -27.3178 -27.3274 -49.4258 7.01149 -48.3583 3.03881 TIMING: 4887400 CPU: 15535.6, 0.00324228/step Wall: 15535.6, 0.00324228/step, 0.101411 hours remaining, 239.898438 MB of memory in use. ENERGY: 4887400 3995.8664 20479.4880 14424.8357 234.4793 -203365.3060 2381.6578 0.0000 0.0000 52040.3294 -109808.6494 299.0765 -161848.9788 -109445.6157 299.0934 -165.1800 -137.9536 761446.7157 -0.8623 -0.8629 PRESSURE: 4887600 -50.9886 -140.135 89.7962 -140.135 -324.812 39.8541 89.7959 39.854 4.23268 GPRESSURE: 4887600 -83.2002 -77.2128 140.941 -91.7054 -254.677 -4.00884 1.59808 -60.4833 46.6625 PRESSAVG: 4887600 14.3005 -65.1967 -4.78298 -65.1968 -47.98 -8.55354 -4.78296 -8.55343 -14.8699 GPRESSAVG: 4887600 15.5299 -66.3085 -6.94852 -63.8676 -49.5951 -9.15121 -3.88746 -9.50117 -15.0102 TIMING: 4887600 CPU: 15536.3, 0.00326115/step Wall: 15536.3, 0.00326115/step, 0.10182 hours remaining, 239.898438 MB of memory in use. ENERGY: 4887600 4044.0524 20681.5421 14435.8970 240.5918 -203647.8130 2572.2399 0.0000 0.0000 51783.2626 -109890.2272 297.5991 -161673.4898 -109531.8118 298.8116 -123.8559 -97.0717 762009.1641 -16.1832 -16.3585 PRESSURE: 4887800 95.6475 -108.367 -14.1053 -108.367 -232.176 -89.7882 -14.1053 -89.7878 421.104 GPRESSURE: 4887800 94.7861 -24.2852 96.1742 -106.057 -188.136 14.1052 -55.8849 6.82221 454.797 PRESSAVG: 4887800 64.8471 -74.6399 7.38557 -74.6398 -46.5372 -11.402 7.38554 -11.4019 2.62113 GPRESSAVG: 4887800 64.3233 -73.3764 8.34564 -74.2287 -46.3843 -9.73247 7.03298 -8.81238 2.88494 TIMING: 4887800 CPU: 15536.9, 0.00322422/step Wall: 15536.9, 0.00322422/step, 0.100488 hours remaining, 239.898438 MB of memory in use. ENERGY: 4887800 3902.6163 20476.4852 14465.7399 244.2923 -203747.7785 2625.3809 0.0000 0.0000 52124.6494 -109908.6146 299.5611 -162033.2640 -109532.8291 299.4014 94.8584 120.4824 760308.2007 6.9770 6.9413 PRESSURE: 4888000 -26.6136 -243.303 -212.153 -243.303 -385.832 21.7416 -212.152 21.7409 -399.401 GPRESSURE: 4888000 -40.4113 -107.794 -200.455 -216.576 -307.187 11.2334 -124.973 -93.1159 -379.243 PRESSAVG: 4888000 -5.27223 -43.5381 -81.0417 -43.5381 10.1469 -12.0771 -81.0417 -12.0771 -9.23247 GPRESSAVG: 4888000 -4.3428 -45.0345 -80.7348 -42.1249 9.85375 -12.4966 -79.4731 -14.0471 -9.61691 TIMING: 4888000 CPU: 15537.6, 0.00321221/step Wall: 15537.6, 0.00321221/step, 0.0999353 hours remaining, 239.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4888000 4028.2718 20605.8854 14354.1347 226.1148 -203260.9624 2177.0724 0.0000 0.0000 51977.7427 -109891.7406 298.7168 -161869.4832 -109539.8262 299.0178 -270.6155 -242.2807 761033.9270 -1.4526 -1.3687 PRESSURE: 4888200 -27.3682 64.5519 91.1811 64.5523 -123.949 -36.6773 91.1814 -36.6779 -86.042 GPRESSURE: 4888200 -19.6923 -12.0145 91.1175 100.326 -116.119 -26.4004 40.6442 -39.2553 -20.2269 PRESSAVG: 4888200 53.5482 -15.0819 -92.3205 -15.0819 -9.18028 -56.562 -92.3205 -56.562 13.5074 GPRESSAVG: 4888200 52.9192 -15.6139 -90.7508 -15.8965 -8.75593 -57.1597 -94.1868 -56.2968 13.7735 TIMING: 4888200 CPU: 15538.2, 0.00323246/step Wall: 15538.2, 0.00323246/step, 0.100386 hours remaining, 239.898438 MB of memory in use. ENERGY: 4888200 3924.6637 20457.8765 14431.2814 249.5599 -203653.8434 2371.5024 0.0000 0.0000 52334.0858 -109884.8738 300.7647 -162218.9595 -109514.8435 299.4357 -79.1198 -52.0127 759656.7839 19.2918 19.3123 LDB: ============= START OF LOAD BALANCING ============== 15550.6 LDB: ============== END OF LOAD BALANCING =============== 15550.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15550.6 LDB: ============= START OF LOAD BALANCING ============== 15550.9 LDB: Largest compute 7047 load 0.036524 is 18.6% of average load 0.195895 LDB: Average compute 0.004448 is 2.3% of average load 0.195895 LDB: TIME 15550.9 LOAD: AVG 0.195895 MAX 0.225197 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.516 MB LDB: TIME 15550.9 LOAD: AVG 0.195895 MAX 0.225197 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: TIME 15550.9 LOAD: AVG 0.195895 MAX 0.225197 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15550.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15550.9 PRESSURE: 4888400 40.4825 -116.752 67.9854 -116.753 -304.371 -152.75 67.9853 -152.75 -166.321 GPRESSURE: 4888400 -36.3595 -85.0545 -14.6019 -164.025 -226.049 -187.873 -19.6441 -76.3877 -90.4054 PRESSAVG: 4888400 18.0238 -3.38153 23.2217 -3.38149 0.647311 -23.6212 23.2217 -23.6212 -5.68957 GPRESSAVG: 4888400 18.666 -2.6465 22.9466 -1.58733 -0.72865 -23.9681 23.2669 -22.9425 -4.95845 TIMING: 4888400 CPU: 15538.9, 0.00326405/step Wall: 15538.9, 0.00326405/step, 0.101186 hours remaining, 241.113281 MB of memory in use. ENERGY: 4888400 3978.1751 20662.3999 14455.4714 260.3033 -203150.6098 2076.0245 0.0000 0.0000 51704.5746 -110013.6610 297.1469 -161718.2357 -109661.9359 298.9833 -143.4032 -117.6047 760641.7109 4.3272 4.3263 PRESSURE: 4888600 162.564 -125.271 31.353 -125.271 25.9913 -336.766 31.3524 -336.767 -270.855 GPRESSURE: 4888600 125.516 -113.616 104.988 -100.763 111.792 -297.784 38.8319 -309.224 -244.38 PRESSAVG: 4888600 -3.74901 15.3313 -17.4082 15.3313 15.2328 -24.9563 -17.4081 -24.9564 -3.99621 GPRESSAVG: 4888600 -4.68417 17.0219 -18.0749 12.4913 17.1436 -24.8804 -17.1131 -25.5789 -4.92179 TIMING: 4888600 CPU: 15539.5, 0.00318628/step Wall: 15539.5, 0.00318628/step, 0.0985978 hours remaining, 241.183594 MB of memory in use. ENERGY: 4888600 3927.3388 20433.1390 14424.9055 259.2901 -203757.0699 2437.6353 0.0000 0.0000 52050.4226 -110224.3387 299.1345 -162274.7612 -109859.9838 298.6908 -27.4332 -2.3572 759887.4787 2.4958 2.5125 PRESSURE: 4888800 -290.253 -102.38 -99.529 -102.38 66.9511 -107.698 -99.5286 -107.698 264.503 GPRESSURE: 4888800 -152.257 -52.175 -56.2825 -201.189 56.2632 -68.4287 -20.9255 -14.456 239.743 PRESSAVG: 4888800 9.84736 -27.515 -9.68752 -27.5149 -19.6108 -14.0001 -9.68754 -14.0001 -13.151 GPRESSAVG: 4888800 10.2576 -30.0642 -8.53336 -25.7933 -20.8029 -13.3512 -11.8246 -13.8492 -12.5972 TIMING: 4888800 CPU: 15540.1, 0.00319856/step Wall: 15540.1, 0.00319856/step, 0.0988 hours remaining, 241.183594 MB of memory in use. ENERGY: 4888800 3910.6898 20484.8929 14374.2578 252.2797 -203733.2402 2622.0914 0.0000 0.0000 51804.9160 -110284.1126 297.7236 -162089.0286 -109930.5778 298.4138 13.7335 47.9163 759109.9539 -7.6381 -7.7141 PRESSURE: 4889000 228.215 -68.89 153.206 -68.8889 88.6134 244.074 153.205 244.076 199.75 GPRESSURE: 4889000 351.195 -98.4236 89.8792 -60.5204 68.639 146.884 168.188 145.158 179.233 PRESSAVG: 4889000 -40.1917 -18.8972 28.6985 -18.8972 56.588 -41.5969 28.6984 -41.5969 35.1793 GPRESSAVG: 4889000 -40.2243 -18.3025 27.6076 -19.9394 58.0411 -41.6144 30.5088 -41.8633 33.6755 TIMING: 4889000 CPU: 15540.8, 0.00321114/step Wall: 15540.8, 0.00321114/step, 0.0990102 hours remaining, 241.183594 MB of memory in use. ENERGY: 4889000 3920.2004 20559.5382 14441.3907 253.3262 -203161.6725 2414.0492 0.0000 0.0000 51568.9385 -110004.2293 296.3674 -161573.1678 -109649.8208 297.8382 172.1927 199.6890 762655.0013 17.1919 17.1641 PRESSURE: 4889200 164.527 -237.039 -99.1246 -237.039 54.9551 -56.9339 -99.1249 -56.934 -182.984 GPRESSURE: 4889200 124.176 -267.448 -183.473 25.0393 70.6524 -10.9781 -97.7567 77.5246 -86.7264 PRESSAVG: 4889200 46.7554 -60.8004 -0.937816 -60.8004 18.0341 20.5232 -0.937836 20.5233 16.4384 GPRESSAVG: 4889200 46.3141 -62.5618 -1.35614 -59.7217 17.3733 20.9143 0.555611 20.2627 17.7836 TIMING: 4889200 CPU: 15541.4, 0.00318817/step Wall: 15541.4, 0.00318817/step, 0.0981248 hours remaining, 241.183594 MB of memory in use. ENERGY: 4889200 3998.4070 20588.5706 14383.3903 247.5180 -203619.2768 2575.7622 0.0000 0.0000 51859.3012 -109966.3275 298.0361 -161825.6287 -109599.9362 298.5779 12.1662 36.0339 760641.6555 27.0760 27.1570 PRESSURE: 4889400 -183.243 -140.096 -17.2109 -140.095 -348.28 3.68455 -17.2108 3.68514 -194.093 GPRESSURE: 4889400 -84.4292 -180.986 -36.5995 -161.923 -295.492 33.2667 -15.6155 -66.6197 -243.672 PRESSAVG: 4889400 26.859 -32.9981 -29.3091 -32.998 -6.89822 -27.7771 -29.3091 -27.7772 15.6572 GPRESSAVG: 4889400 27.1799 -32.4807 -27.9073 -34.9872 -7.89809 -29.2297 -31.7947 -25.6965 16.1613 TIMING: 4889400 CPU: 15542.1, 0.00318175/step Wall: 15542.1, 0.00318175/step, 0.0977504 hours remaining, 241.183594 MB of memory in use. ENERGY: 4889400 4002.3080 20329.6916 14437.8221 262.9001 -203618.3602 2648.3848 0.0000 0.0000 51958.0475 -109979.2060 298.6036 -161937.2535 -109611.3755 298.4750 -241.8720 -207.8642 759882.6975 11.8727 11.8144 PRESSURE: 4889600 -28.0464 -153.693 -19.6932 -153.693 82.8688 -151 -19.6929 -150.999 -107.255 GPRESSURE: 4889600 -18.3171 -211.332 -5.97775 -53.7865 169.402 -257.513 116.189 -47.4101 -102.526 PRESSAVG: 4889600 19.1822 -21.2635 -4.17682 -21.2635 -35.1509 -17.4824 -4.17679 -17.4824 -27.0951 GPRESSAVG: 4889600 19.4344 -20.0066 -4.05483 -20.508 -34.8902 -17.5554 -1.93578 -19.3286 -27.1289 TIMING: 4889600 CPU: 15542.7, 0.00319763/step Wall: 15542.7, 0.00319763/step, 0.0980607 hours remaining, 241.183594 MB of memory in use. ENERGY: 4889600 3972.5816 20268.9624 14402.1230 267.7800 -203728.0575 2578.9845 0.0000 0.0000 52112.4259 -110125.2000 299.4908 -162237.6259 -109771.8668 298.7456 -17.4776 16.1860 759807.4966 -14.3546 -14.1949 PRESSURE: 4889800 -98.915 168.508 -261.844 168.507 27.0887 -267.246 -261.844 -267.246 -32.1193 GPRESSURE: 4889800 -76.5129 45.9507 -187.902 55.6338 8.30622 -309.061 -205.853 -298.316 81.0175 PRESSAVG: 4889800 -1.77881 -90.2509 -7.64055 -90.2509 -2.14609 -80.9079 -7.64057 -80.9078 9.37495 GPRESSAVG: 4889800 -1.81042 -90.7474 -6.8097 -90.5234 -1.95547 -79.9245 -7.45589 -80.1006 8.89702 TIMING: 4889800 CPU: 15543.3, 0.0032024/step Wall: 15543.3, 0.0032024/step, 0.098029 hours remaining, 241.183594 MB of memory in use. ENERGY: 4889800 3994.1267 20438.3168 14410.6928 248.6294 -203506.8526 2348.7370 0.0000 0.0000 51999.9180 -110066.4318 298.8442 -162066.3498 -109704.4457 298.6649 -34.6486 4.2703 759440.1626 1.8167 1.7104 PRESSURE: 4890000 -110.157 -8.89937 33.8767 -8.90048 -107.131 -293.982 33.8763 -293.981 82.422 GPRESSURE: 4890000 -49.8357 -103.718 36.935 -57.9755 16.5427 -280.965 103.124 -115.963 -14.6412 PRESSAVG: 4890000 13.1232 -59.5125 -12.5127 -59.5125 -5.40834 -34.9394 -12.5127 -34.9394 17.1227 GPRESSAVG: 4890000 13.2854 -60.9955 -13.9206 -57.9908 -4.45073 -35.362 -12.7485 -32.0056 16.095 TIMING: 4890000 CPU: 15544, 0.00318896/step Wall: 15544, 0.00318896/step, 0.0974405 hours remaining, 241.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4890000 4046.7778 20315.6198 14433.1241 220.6816 -203407.0758 2464.7168 0.0000 0.0000 52043.7170 -109882.4386 299.0960 -161926.1556 -109518.8229 298.9316 -44.9553 -15.9781 758423.6256 8.2792 8.3099 PRESSURE: 4890200 -80.345 -123.795 -46.0967 -123.794 -28.0895 102.104 -46.097 102.103 142.875 GPRESSURE: 4890200 -97.4286 -203.051 17.8565 -135.751 89.649 69.472 -99.3481 148.281 119.073 PRESSAVG: 4890200 74.4799 -31.2099 13.363 -31.2099 -48.7109 -30.0681 13.363 -30.0681 16.7393 GPRESSAVG: 4890200 73.4523 -29.0836 13.9435 -35.1347 -47.8179 -30.914 11.7937 -30.8693 16.8851 TIMING: 4890200 CPU: 15544.6, 0.00318553/step Wall: 15544.6, 0.00318553/step, 0.0971588 hours remaining, 241.183594 MB of memory in use. ENERGY: 4890200 3985.4209 20499.1660 14438.0763 231.9944 -203469.2194 2632.7921 0.0000 0.0000 52044.1650 -109637.6047 299.0985 -161681.7697 -109290.5519 298.8973 11.4803 37.0977 759754.6575 14.1695 14.1732 PRESSURE: 4890400 -138.358 -21.2439 156.522 -21.2431 -276.215 -213.841 156.521 -213.84 -14.4446 GPRESSURE: 4890400 -89.4838 82.4993 178.106 -59.5323 -222.069 -207.056 67.7498 -291.423 -35.4655 PRESSAVG: 4890400 34.4378 -93.04 -5.12849 -93.04 -84.4789 -4.86802 -5.12852 -4.86801 3.41152 GPRESSAVG: 4890400 35.4544 -92.4849 -5.75668 -90.9397 -84.9171 -5.35371 -3.74236 -7.87743 2.99871 TIMING: 4890400 CPU: 15545.2, 0.00318108/step Wall: 15545.2, 0.00318108/step, 0.0968462 hours remaining, 241.183594 MB of memory in use. ENERGY: 4890400 4013.1493 20305.3570 14354.4120 261.8205 -203179.8730 2386.6377 0.0000 0.0000 52069.4209 -109789.0755 299.2437 -161858.4964 -109425.2712 299.3424 -143.0057 -115.6727 762745.3787 -15.5432 -15.4880 PRESSURE: 4890600 -21.2325 -240.652 -125.03 -240.652 -7.44524 -31.3394 -125.03 -31.3395 -89.4741 GPRESSURE: 4890600 4.62421 -130.842 -177.329 -249.919 100.737 -34.3509 -139.839 94.1683 -142.738 PRESSAVG: 4890600 -0.829146 -46.2268 -10.479 -46.2268 0.269348 -25.7491 -10.4789 -25.7491 6.7214 GPRESSAVG: 4890600 -1.50469 -44.7737 -8.97963 -46.7347 0.437283 -24.465 -12.7627 -25.2909 7.28988 TIMING: 4890600 CPU: 15545.9, 0.00320854/step Wall: 15545.9, 0.00320854/step, 0.097504 hours remaining, 241.183594 MB of memory in use. ENERGY: 4890600 4010.5501 20325.5218 14446.9580 242.9446 -203644.8046 2655.4850 0.0000 0.0000 52490.4449 -109472.9001 301.6633 -161963.3450 -109103.1987 299.7218 -39.3839 -12.4590 759659.3591 2.0539 2.0742 PRESSURE: 4890800 -169.256 -183.784 -189.381 -183.784 -232.683 -123.665 -189.381 -123.665 -118.822 GPRESSURE: 4890800 -51.6523 -136.528 -174.071 -128.727 -333.05 -114.267 -148.749 -147.933 -40.8123 PRESSAVG: 4890800 -33.7496 -9.19338 -84.0834 -9.1934 16.3744 -25.7878 -84.0835 -25.7878 0.0931758 GPRESSAVG: 4890800 -33.0222 -11.0791 -84.5625 -8.91483 14.5994 -26.2322 -83.902 -24.0729 1.13754 TIMING: 4890800 CPU: 15546.5, 0.00321936/step Wall: 15546.5, 0.00321936/step, 0.097654 hours remaining, 241.183594 MB of memory in use. ENERGY: 4890800 3993.6844 20323.9398 14487.4880 235.7120 -203121.4005 2413.9061 0.0000 0.0000 52105.4700 -109561.2003 299.4509 -161666.6703 -109194.4937 299.7019 -173.5869 -141.8382 761482.6245 -5.7607 -5.7617 PRESSURE: 4891000 58.0681 55.2386 109.374 55.2385 -15.8283 98.9729 109.374 98.9732 -191.942 GPRESSURE: 4891000 110.962 106.061 92.0417 99.9157 -14.8707 107.521 118.308 139.93 -158.664 PRESSAVG: 4891000 -17.5859 -28.526 -17.6886 -28.526 -10.6691 -67.5201 -17.6886 -67.5201 2.80744 GPRESSAVG: 4891000 -18.1948 -28.7585 -18.7401 -26.4789 -9.72502 -65.6631 -18.3522 -71.3263 2.4603 TIMING: 4891000 CPU: 15547.2, 0.00321469/step Wall: 15547.2, 0.00321469/step, 0.0973338 hours remaining, 241.183594 MB of memory in use. ENERGY: 4891000 3939.3079 20433.0856 14386.4834 250.6883 -203117.6304 2330.3326 0.0000 0.0000 52034.9142 -109742.8183 299.0454 -161777.7325 -109384.7761 299.0611 -49.9008 -20.8576 760259.3664 -8.4825 -8.4865 PRESSURE: 4891200 -33.4046 96.6254 -40.9251 96.6251 -108.365 152.376 -40.9246 152.376 -23.4633 GPRESSURE: 4891200 43.0406 152.238 -13.3702 191.283 -76.1891 153.479 37.0612 80.2488 -33.5429 PRESSAVG: 4891200 30.865 -14.2758 -31.3426 -14.2758 -47.7301 -38.4018 -31.3426 -38.4018 -16.0283 GPRESSAVG: 4891200 31.167 -13.0296 -31.2137 -15.4739 -48.1838 -37.9343 -29.4976 -35.9913 -16.0289 TIMING: 4891200 CPU: 15547.8, 0.00321056/step Wall: 15547.8, 0.00321056/step, 0.0970301 hours remaining, 241.183594 MB of memory in use. ENERGY: 4891200 4049.8272 20271.4084 14432.3257 278.4134 -203447.9597 2419.7470 0.0000 0.0000 52189.5532 -109806.6849 299.9341 -161996.2380 -109444.9599 299.0147 -55.0776 -22.2305 759674.7396 -10.9645 -11.0152 PRESSURE: 4891400 89.0359 -35.2729 59.3673 -35.2736 -368.701 -43.8634 59.3675 -43.8631 92.8759 GPRESSURE: 4891400 91.2858 -196.445 200.621 -134.83 -263.547 -59.7295 -15.9504 -10.0018 90.511 PRESSAVG: 4891400 -0.936393 -56.7002 38.0979 -56.7002 -70.2776 43.3865 38.098 43.3865 2.85072 GPRESSAVG: 4891400 -0.229665 -56.2716 36.8917 -58.1487 -69.7275 41.3425 40.5567 44.4259 2.29051 TIMING: 4891400 CPU: 15548.5, 0.00321424/step Wall: 15548.5, 0.00321424/step, 0.0969628 hours remaining, 241.183594 MB of memory in use. ENERGY: 4891400 4025.4035 20270.4554 14378.4099 242.0062 -203239.0211 2382.7234 0.0000 0.0000 52181.5854 -109758.4374 299.8883 -161940.0228 -109397.9268 299.3555 -62.2630 -27.2501 759890.3074 -22.7878 -22.5556 PRESSURE: 4891600 -593.364 -119.051 -87.5323 -119.051 -113.883 47.031 -87.5314 47.0309 -293.239 GPRESSURE: 4891600 -593.672 -210.036 -106.748 -203.981 -67.4013 -15.0289 -74.9898 114.619 -252.527 PRESSAVG: 4891600 40.3319 -22.345 -0.562383 -22.3449 -44.2024 59.1045 -0.562431 59.1045 4.3156 GPRESSAVG: 4891600 39.1892 -26.3785 0.158378 -22.0568 -44.9843 59.2948 -5.8785 57.56 6.12068 TIMING: 4891600 CPU: 15549.1, 0.00321036/step Wall: 15549.1, 0.00321036/step, 0.0966674 hours remaining, 241.183594 MB of memory in use. ENERGY: 4891600 3975.1693 20414.6535 14375.4854 266.4560 -203102.7184 2220.1407 0.0000 0.0000 52136.5504 -109714.2630 299.6295 -161850.8135 -109344.1979 298.7178 -333.4955 -304.5336 760755.5990 0.1484 0.1085 PRESSURE: 4891800 87.332 -124.695 -205.5 -124.696 -303.856 -263.958 -205.501 -263.958 -125.579 GPRESSURE: 4891800 89.3831 -177.6 -184.891 -34.4399 -193.672 -195.424 -232.392 -228.451 -145.593 PRESSAVG: 4891800 -4.11855 -34.4782 -38.5729 -34.4782 -12.3864 -28.2329 -38.5729 -28.2328 27.5044 GPRESSAVG: 4891800 -3.8729 -31.5493 -37.4959 -34.5716 -11.8345 -27.0007 -36.6937 -27.7617 26.1265 TIMING: 4891800 CPU: 15549.7, 0.00321017/step Wall: 15549.7, 0.00321017/step, 0.0964834 hours remaining, 241.183594 MB of memory in use. ENERGY: 4891800 4006.5357 20401.1494 14398.9118 232.5142 -203864.5372 2791.5571 0.0000 0.0000 52481.6204 -109552.2487 301.6126 -162033.8691 -109187.3855 299.5688 -114.0343 -83.2937 760691.6243 3.6665 3.4730 PRESSURE: 4892000 -47.8288 66.927 68.1433 66.9266 22.2387 79.1983 68.1431 79.1991 -82.7124 GPRESSURE: 4892000 -74.5296 59.7333 41.4147 59.2788 63.3937 137.379 -29.0998 -33.3007 -32.245 PRESSAVG: 4892000 31.7439 -28.4111 10.9721 -28.4111 -31.0367 -5.17095 10.9722 -5.17098 -7.85648 GPRESSAVG: 4892000 31.5484 -28.0776 10.0088 -28.0796 -31.2514 -4.3593 10.5139 -5.78614 -7.70255 TIMING: 4892000 CPU: 15550.4, 0.0032012/step Wall: 15550.4, 0.0032012/step, 0.096036 hours remaining, 241.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4892000 4032.0569 20499.4859 14410.8089 237.1364 -203701.4895 2800.2144 0.0000 0.0000 52239.8767 -109481.9102 300.2233 -161721.7869 -109128.1517 300.1499 -36.1009 -14.4603 760535.7800 -2.3831 -2.4685 PRESSURE: 4892200 -47.3696 34.8942 -41.0161 34.8938 -180.289 -19.2597 -41.0157 -19.2579 -37.9582 GPRESSURE: 4892200 26.9764 -52.5379 -34.521 150.696 -187.268 6.90284 -165.631 17.2639 -2.26006 PRESSAVG: 4892200 9.42945 -63.1335 -8.32117 -63.1335 8.24346 -36.4644 -8.32113 -36.4644 10.5193 GPRESSAVG: 4892200 10.4986 -64.2168 -8.22751 -60.4736 8.10822 -37.4853 -7.53131 -33.5838 9.85528 TIMING: 4892200 CPU: 15551, 0.00321224/step Wall: 15551, 0.00321224/step, 0.0961887 hours remaining, 241.183594 MB of memory in use. ENERGY: 4892200 4010.7152 20529.4168 14331.6330 248.8261 -203221.8936 2462.4517 0.0000 0.0000 52068.0256 -109570.8252 299.2357 -161638.8509 -109207.5725 299.5210 -88.5388 -54.1840 760599.7736 9.3974 9.4874 LDB: ============= START OF LOAD BALANCING ============== 15563.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15563.4 LDB: =============== DONE WITH MIGRATION ================ 15563.4 LDB: ============= START OF LOAD BALANCING ============== 15563.8 LDB: Largest compute 7047 load 0.037666 is 19.2% of average load 0.195874 LDB: Average compute 0.004421 is 2.3% of average load 0.195874 LDB: TIME 15563.8 LOAD: AVG 0.195874 MAX 0.218139 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 15563.8 LOAD: AVG 0.195874 MAX 0.218139 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 15563.8 LOAD: AVG 0.195874 MAX 0.218139 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15563.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15563.8 PRESSURE: 4892400 150.959 -112.149 -149.86 -112.15 -34.6401 219.875 -149.86 219.874 337.175 GPRESSURE: 4892400 130.819 -203.083 -134.167 -157.616 -21.7923 148.668 -228.026 126.295 393.604 PRESSAVG: 4892400 5.46812 -35.8032 2.74355 -35.8033 -2.46325 -18.262 2.74355 -18.262 32.1415 GPRESSAVG: 4892400 4.72178 -35.8052 2.55314 -37.9655 -1.99761 -19.89 4.08944 -20.6177 32.083 TIMING: 4892400 CPU: 15551.7, 0.00327971/step Wall: 15551.7, 0.00327971/step, 0.0980269 hours remaining, 237.902344 MB of memory in use. ENERGY: 4892400 3911.4073 20521.5420 14470.4069 255.0515 -203692.7154 2751.8386 0.0000 0.0000 51857.6733 -109924.7958 298.0268 -161782.4691 -109573.2194 298.8351 151.1645 167.5436 759641.2287 11.7155 11.6024 PRESSURE: 4892600 26.2897 31.4794 167.575 31.4795 -84.4494 9.2483 167.576 9.24886 142.226 GPRESSURE: 4892600 100.792 17.9257 185.594 52.1562 -22.2637 -101.817 141.12 145.389 101.472 PRESSAVG: 4892600 -41.9318 -57.4929 50.8109 -57.4928 31.4355 43.709 50.8109 43.7091 -6.92007 GPRESSAVG: 4892600 -41.414 -57.4271 48.8179 -56.9352 30.2429 45.538 50.3636 42.6187 -5.96938 TIMING: 4892600 CPU: 15552.3, 0.0032289/step Wall: 15552.3, 0.0032289/step, 0.0963288 hours remaining, 237.902344 MB of memory in use. ENERGY: 4892600 4003.3458 20526.5093 14331.4719 261.0082 -203436.1710 2375.8715 0.0000 0.0000 52065.8575 -109872.1068 299.2232 -161937.9642 -109515.4880 298.7286 28.0221 59.9999 757660.4197 -5.8054 -5.7135 PRESSURE: 4892800 -35.9068 -118.961 -86.3207 -118.961 -120.117 -15.3731 -86.3214 -15.3714 -146.223 GPRESSURE: 4892800 -29.6906 -70.6544 -69.6074 -161.872 -38.2572 -1.68467 -40.4718 108.533 -147.493 PRESSAVG: 4892800 0.667706 -78.7942 -0.248072 -78.7942 2.8246 8.84814 -0.248086 8.84815 -13.8458 GPRESSAVG: 4892800 -0.165127 -78.7582 -0.070672 -77.8621 2.81687 7.8159 1.30926 11.425 -13.5334 TIMING: 4892800 CPU: 15553, 0.0032388/step Wall: 15553, 0.0032388/step, 0.0964443 hours remaining, 237.902344 MB of memory in use. ENERGY: 4892800 4054.5370 20521.3406 14354.9310 245.6354 -203874.6992 2566.0634 0.0000 0.0000 52010.8262 -110121.3655 298.9069 -162132.1917 -109759.0289 298.9316 -100.7489 -71.8135 758256.1083 -3.4512 -3.6272 PRESSURE: 4893000 -6.53955 -152.849 229.351 -152.849 -166.279 -262.698 229.35 -262.698 -76.8782 GPRESSURE: 4893000 134.879 -46.3751 213.673 -269.433 -166.177 -174.315 171.841 -378.942 -118.864 PRESSAVG: 4893000 32.148 -92.1721 -26.1414 -92.1721 -53.8878 -18.6035 -26.1414 -18.6035 8.01973 GPRESSAVG: 4893000 33.4912 -92.056 -24.9011 -92.6284 -54.7136 -17.8739 -28.8681 -19.8966 8.14741 TIMING: 4893000 CPU: 15553.6, 0.00320824/step Wall: 15553.6, 0.00320824/step, 0.095356 hours remaining, 237.902344 MB of memory in use. ENERGY: 4893000 4086.7360 20664.5593 14356.2478 250.9265 -203745.4489 2552.9610 0.0000 0.0000 51846.3388 -109987.6794 297.9616 -161834.0183 -109626.0535 298.8275 -83.2323 -50.0540 759079.1762 -4.5733 -4.3583 PRESSURE: 4893200 268.69 -250.159 -7.904 -250.159 -222.696 147.349 -7.90354 147.349 -13.8706 GPRESSURE: 4893200 222.559 -249.128 -1.27001 -135.231 -138.658 133.664 -89.1728 89.3181 41.7389 PRESSAVG: 4893200 0.248507 -84.357 -45.8715 -84.3571 -9.76052 -6.95126 -45.8714 -6.95126 3.00549 GPRESSAVG: 4893200 -0.388706 -85.1772 -43.9003 -83.9878 -9.33436 -8.2838 -44.4864 -6.39167 3.30534 TIMING: 4893200 CPU: 15554.3, 0.0032329/step Wall: 15554.3, 0.0032329/step, 0.0959095 hours remaining, 237.902344 MB of memory in use. ENERGY: 4893200 4002.5793 20731.3589 14420.3184 229.3996 -203227.4386 2092.2239 0.0000 0.0000 51925.3215 -109826.2371 298.4155 -161751.5586 -109459.5925 299.1503 10.7078 41.8800 759809.1295 -2.1688 -2.1392 PRESSURE: 4893400 -221.253 186.09 -99.1621 186.09 -310.134 140.831 -99.1622 140.831 65.3246 GPRESSURE: 4893400 -188.202 111.839 -64.5911 167.419 -336.466 43.6266 -184.223 140.123 138.452 PRESSAVG: 4893400 72.252 -43.9567 15.5572 -43.9567 -90.4532 -12.7619 15.5572 -12.7619 10.4702 GPRESSAVG: 4893400 71.4896 -42.7234 13.6652 -44.7159 -90.9696 -12.9926 14.2763 -12.5703 11.2589 TIMING: 4893400 CPU: 15554.9, 0.00319851/step Wall: 15554.9, 0.00319851/step, 0.0947114 hours remaining, 237.902344 MB of memory in use. ENERGY: 4893400 3978.5281 20744.3411 14348.7662 254.7030 -203415.6544 2242.1381 0.0000 0.0000 52057.9978 -109789.1802 299.1780 -161847.1780 -109435.2991 299.4650 -155.3541 -128.7388 759792.2440 -2.5770 -2.7404 PRESSURE: 4893600 7.59143 -170.842 -106.642 -170.842 198.332 -12.8459 -106.642 -12.8465 231.304 GPRESSURE: 4893600 45.1378 -100.956 -67.7722 -139.062 181.78 -28.2965 -98.8757 -37.9576 290.782 PRESSAVG: 4893600 11.6334 -58.0614 -41.5744 -58.0615 13.4039 -31.838 -41.5745 -31.838 8.93387 GPRESSAVG: 4893600 13.2473 -59.0401 -39.9527 -57.4253 13.5719 -33.4747 -39.1972 -30.9957 7.12811 TIMING: 4893600 CPU: 15555.5, 0.00319862/step Wall: 15555.5, 0.00319862/step, 0.094537 hours remaining, 237.902344 MB of memory in use. ENERGY: 4893600 3981.3505 20602.4246 14368.7234 251.9101 -203732.7306 2556.7115 0.0000 0.0000 52042.0476 -109929.5629 299.0864 -161971.6105 -109566.0247 299.1238 145.7425 172.5664 759686.9892 11.3237 11.3158 PRESSURE: 4893800 -339.503 -153.235 84.662 -153.236 -216.349 -15.0776 84.6625 -15.0776 40.1644 GPRESSURE: 4893800 -327.293 -232.955 -8.97347 -201.957 -162.759 6.58156 237.122 16.1349 78.0586 PRESSAVG: 4893800 44.7746 -109.483 4.75169 -109.483 -22.093 -22.9223 4.75169 -22.9224 -1.6938 GPRESSAVG: 4893800 43.3607 -108.892 2.91304 -112.098 -20.8407 -22.6347 5.52078 -24.94 -0.985186 TIMING: 4893800 CPU: 15556.2, 0.0031788/step Wall: 15556.2, 0.0031788/step, 0.0937747 hours remaining, 237.902344 MB of memory in use. ENERGY: 4893800 3990.5745 20490.1038 14449.2417 239.1910 -203643.7709 2605.8611 0.0000 0.0000 51810.2943 -110058.5044 297.7545 -161868.7987 -109697.5698 298.7633 -171.8958 -137.3310 759882.9450 6.9960 7.1783 PRESSURE: 4894000 -201.035 -90.1042 34.6965 -90.1046 -272.03 49.4783 34.6963 49.4772 -96.0602 GPRESSURE: 4894000 -151.347 -59.0834 31.5817 -99.5274 -157.678 147.377 -33.8239 -43.8225 -182.685 PRESSAVG: 4894000 1.93406 -55.6457 35.5578 -55.6457 61.207 -6.12234 35.5578 -6.12244 8.22451 GPRESSAVG: 4894000 3.1812 -56.1811 36.2346 -52.0315 60.6681 -5.30145 32.559 -4.61735 7.95415 TIMING: 4894000 CPU: 15556.8, 0.00319505/step Wall: 15556.8, 0.00319505/step, 0.0940766 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4894000 3983.7907 20750.8010 14395.1895 251.1493 -203553.0740 2145.5453 0.0000 0.0000 51971.8609 -110054.7373 298.6830 -162026.5982 -109698.2040 298.3713 -189.7084 -163.9033 758864.0656 23.7885 23.9345 PRESSURE: 4894200 -96.8488 55.6471 46.6883 55.6482 -383.314 122.906 46.6886 122.906 -201.728 GPRESSURE: 4894200 -185.073 125.137 36.6612 -42.0571 -337.701 86.5004 242.763 123.398 -78.7547 PRESSAVG: 4894200 63.2241 -44.7729 34.5496 -44.7729 -43.92 33.2247 34.5496 33.2247 -18.0029 GPRESSAVG: 4894200 62.6935 -43.6528 35.1447 -47.1586 -43.4045 33.7121 36.1438 32.0717 -17.4591 TIMING: 4894200 CPU: 15557.5, 0.00319389/step Wall: 15557.5, 0.00319389/step, 0.0938648 hours remaining, 237.902344 MB of memory in use. ENERGY: 4894200 3938.3348 20579.6151 14457.0700 245.0635 -203440.0244 2160.8814 0.0000 0.0000 51953.6491 -110105.4106 298.5783 -162059.0596 -109750.7321 298.6690 -227.2971 -200.5096 761022.7167 0.4337 0.6100 PRESSURE: 4894400 0.152306 -248.959 280.42 -248.958 -424.952 -186.016 280.421 -186.017 -64.1877 GPRESSURE: 4894400 71.1573 -178.806 313.002 -125.09 -379.019 -133.65 306.524 -70.8894 -96.2323 PRESSAVG: 4894400 59.3039 -34.7529 52.7124 -34.753 -78.8302 -19.2609 52.7125 -19.2607 4.98891 GPRESSAVG: 4894400 59.2636 -35.2286 54.3918 -34.5235 -78.3326 -19.3863 49.7151 -19.883 4.32368 TIMING: 4894400 CPU: 15558.1, 0.003196/step Wall: 15558.1, 0.003196/step, 0.0937495 hours remaining, 237.902344 MB of memory in use. ENERGY: 4894400 4021.8798 20660.7881 14427.9437 238.8617 -203521.6230 2299.0398 0.0000 0.0000 51973.1781 -109899.9319 298.6906 -161873.1100 -109536.0675 298.5325 -162.9957 -134.6979 759754.4933 -4.8458 -4.9151 PRESSURE: 4894600 124.019 -108.274 52.5775 -108.273 -171.058 -130.007 52.5769 -130.007 -182.126 GPRESSURE: 4894600 107.553 -51.6533 -23.1306 -60.2746 -84.7227 -129.713 98.1153 -42.8924 -151.456 PRESSAVG: 4894600 41.2994 -34.6777 19.7005 -34.6777 -85.8114 10.58 19.7006 10.58 20.101 GPRESSAVG: 4894600 41.8751 -33.7207 17.0749 -35.639 -86.792 9.69217 21.7208 11.9822 20.7486 TIMING: 4894600 CPU: 15558.7, 0.00318579/step Wall: 15558.7, 0.00318579/step, 0.0932728 hours remaining, 237.902344 MB of memory in use. ENERGY: 4894600 3987.8333 20426.6411 14447.4113 251.7255 -203552.9877 2536.2570 0.0000 0.0000 52029.2985 -109873.8210 299.0131 -161903.1195 -109502.2964 298.8138 -76.3881 -42.8752 762781.6380 -8.1370 -8.0561 PRESSURE: 4894800 370.529 7.00452 -73.4327 7.00499 4.68214 101.499 -73.4325 101.499 34.0119 GPRESSURE: 4894800 408.459 32.3915 -46.0516 -97.7685 119.875 152.861 -27.6494 -31.6642 -16.7292 PRESSAVG: 4894800 14.0626 -56.694 -36.2262 -56.6939 -40.1311 15.7454 -36.2262 15.7456 7.61673 GPRESSAVG: 4894800 13.2867 -57.5955 -33.7511 -56.3615 -40.4748 15.9206 -37.0399 13.5463 8.0187 TIMING: 4894800 CPU: 15559.4, 0.00319683/step Wall: 15559.4, 0.00319683/step, 0.0934185 hours remaining, 237.902344 MB of memory in use. ENERGY: 4894800 4050.5481 20561.3206 14480.2459 243.1244 -203627.7289 2413.8751 0.0000 0.0000 52214.9877 -109663.6273 300.0803 -161878.6150 -109299.9161 299.2822 136.4075 170.5351 760491.8679 -6.1506 -6.3898 PRESSURE: 4895000 543.813 -17.1669 -5.24557 -17.167 -171.809 -41.1578 -5.24502 -41.1574 223.784 GPRESSURE: 4895000 494.183 30.9826 58.2897 -155.443 -44.2572 -4.16411 64.8405 -38.1159 229.449 PRESSAVG: 4895000 11.2173 -84.3784 -31.9171 -84.3784 27.0736 -46.1632 -31.9172 -46.1632 -8.35893 GPRESSAVG: 4895000 10.7866 -83.7682 -33.2423 -83.1103 27.5406 -45.5222 -31.0037 -44.1937 -8.96016 TIMING: 4895000 CPU: 15560, 0.00318087/step Wall: 15560, 0.00318087/step, 0.0927753 hours remaining, 237.902344 MB of memory in use. ENERGY: 4895000 3955.6792 20540.0096 14479.4895 228.8842 -203958.2738 2877.0210 0.0000 0.0000 52071.4172 -109805.7731 299.2552 -161877.1903 -109444.4591 299.4380 198.5963 226.4585 758558.6714 9.9773 9.7890 PRESSURE: 4895200 -295.294 -150.918 -75.9966 -150.918 -199.13 -147.03 -75.9965 -147.03 -202.834 GPRESSURE: 4895200 -139.347 -128.502 36.0715 -277.581 -249.566 -152.309 -172.167 -193.477 -206.18 PRESSAVG: 4895200 2.68392 -76.8887 -16.6107 -76.8886 -42.4368 -26.7399 -16.6107 -26.74 -7.35795 GPRESSAVG: 4895200 3.1997 -77.5617 -16.5662 -76.3603 -43.4953 -26.8623 -17.2165 -29.4565 -6.47564 TIMING: 4895200 CPU: 15560.6, 0.00320113/step Wall: 15560.6, 0.00320113/step, 0.0931884 hours remaining, 237.902344 MB of memory in use. ENERGY: 4895200 3993.1787 20502.5367 14399.0201 258.8810 -203518.4892 2531.7810 0.0000 0.0000 52119.7546 -109713.3371 299.5329 -161833.0918 -109351.7257 298.9696 -232.4191 -198.3644 759466.7839 -15.7036 -15.5904 PRESSURE: 4895400 83.0676 -14.6133 -36.0903 -14.6129 47.6966 109.113 -36.0898 109.112 -515.058 GPRESSURE: 4895400 112.656 -120.961 -38.1922 -52.5012 62.2115 61.2221 17.6884 181.594 -470.514 PRESSAVG: 4895400 9.00722 -83.799 43.095 -83.799 -9.58195 -22.8365 43.095 -22.8366 -0.174498 GPRESSAVG: 4895400 9.63547 -82.0702 42.6078 -86.6891 -9.35519 -23.1152 43.5251 -21.7656 -1.1042 TIMING: 4895400 CPU: 15561.3, 0.00321265/step Wall: 15561.3, 0.00321265/step, 0.0933453 hours remaining, 237.902344 MB of memory in use. ENERGY: 4895400 3984.6919 20467.3486 14359.3859 236.7387 -203269.3055 2215.1647 0.0000 0.0000 52089.1422 -109916.8334 299.3570 -162005.9755 -109550.8695 299.0648 -128.0979 -98.5488 759983.7462 -0.2497 -0.2746 PRESSURE: 4895600 -0.995085 -81.5827 -5.23856 -81.5834 324.296 -191.489 -5.23824 -191.489 185.827 GPRESSURE: 4895600 16.4731 -49.8086 7.07031 -73.8822 397.411 -141.193 -58.0672 -129.032 209.463 PRESSAVG: 4895600 -19.0087 -15.7884 -57.6814 -15.7885 34.2069 -27.571 -57.6813 -27.5709 -1.34072 GPRESSAVG: 4895600 -18.9886 -16.7307 -58.4801 -12.7111 33.3795 -26.6534 -55.9668 -26.7069 -0.76672 TIMING: 4895600 CPU: 15561.9, 0.00319982/step Wall: 15561.9, 0.00319982/step, 0.0927949 hours remaining, 237.902344 MB of memory in use. ENERGY: 4895600 3917.4848 20722.7942 14546.0337 236.8775 -203914.7643 2729.1806 0.0000 0.0000 51858.2110 -109904.1825 298.0299 -161762.3935 -109545.4760 298.1317 169.7093 207.7824 758033.9212 4.6192 4.5414 PRESSURE: 4895800 -93.9269 -131.894 351.078 -131.894 -62.2678 -84.675 351.078 -84.6744 -27.4766 GPRESSURE: 4895800 -23.4088 -126.97 242.811 -120.419 17.9572 -58.8816 245.892 -41.1128 -74.3429 PRESSAVG: 4895800 -66.6645 -63.3389 21.6045 -63.3389 55.9601 11.7605 21.6044 11.7605 2.17623 GPRESSAVG: 4895800 -67.6665 -63.2691 22.1181 -65.3169 57.0217 11.3236 20.1081 10.0766 2.2177 TIMING: 4895800 CPU: 15562.6, 0.00320661/step Wall: 15562.6, 0.00320661/step, 0.0928134 hours remaining, 237.902344 MB of memory in use. ENERGY: 4895800 3987.8117 20474.7922 14449.6715 239.9135 -202978.4813 2073.3133 0.0000 0.0000 51999.7794 -109753.1997 298.8434 -161752.9790 -109380.3111 298.4302 -61.2238 -26.5982 760206.9219 -2.8427 -2.8090 PRESSURE: 4896000 125.25 197.921 22.2885 197.92 112.057 64.4176 22.2884 64.4183 102.133 GPRESSURE: 4896000 89.586 246.438 -10.1351 262.56 187.653 70.7634 -73.2369 121.243 150.888 PRESSAVG: 4896000 -18.1928 -3.80729 -15.1598 -3.80722 38.4444 26.5925 -15.1598 26.5924 -5.57673 GPRESSAVG: 4896000 -17.6095 -4.2787 -13.301 -2.22131 37.9598 26.7821 -16.9338 27.5632 -5.80595 TIMING: 4896000 CPU: 15563.2, 0.00320349/step Wall: 15563.2, 0.00320349/step, 0.0925453 hours remaining, 237.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4896000 4029.8640 20616.0900 14384.2883 287.4743 -203700.2871 2905.0361 0.0000 0.0000 52074.6854 -109402.8488 299.2739 -161477.5343 -109049.4038 299.9586 113.1467 142.7090 759571.4640 4.8916 4.8481 PRESSURE: 4896200 225.205 -13.7198 -22.4115 -13.7201 165.095 -28.3315 -22.4116 -28.3316 161.435 GPRESSURE: 4896200 238.453 -43.1664 8.07702 15.8022 192.68 -53.2981 44.7141 43.0848 211.71 PRESSAVG: 4896200 -14.794 14.7365 8.65783 14.7365 -17.3325 41.254 8.65779 41.2539 9.1934 GPRESSAVG: 4896200 -13.8202 13.634 6.24869 13.4202 -18.4852 40.8738 12.022 42.5902 9.61745 TIMING: 4896200 CPU: 15563.9, 0.00321739/step Wall: 15563.9, 0.00321739/step, 0.0927679 hours remaining, 237.902344 MB of memory in use. ENERGY: 4896200 3989.5556 20581.3282 14475.6544 240.6784 -203571.8956 2628.0870 0.0000 0.0000 52148.6590 -109507.9329 299.6991 -161656.5919 -109145.5199 299.7014 183.9117 214.2811 760109.1715 -7.6444 -7.5627 LDB: ============= START OF LOAD BALANCING ============== 15576.3 LDB: ============== END OF LOAD BALANCING =============== 15576.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15576.3 LDB: ============= START OF LOAD BALANCING ============== 15576.6 LDB: Largest compute 7034 load 0.034669 is 17.7% of average load 0.195963 LDB: Average compute 0.004408 is 2.2% of average load 0.195963 LDB: TIME 15576.6 LOAD: AVG 0.195963 MAX 0.219149 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 15576.6 LOAD: AVG 0.195963 MAX 0.219149 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 15576.6 LOAD: AVG 0.195963 MAX 0.219149 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15576.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15576.6 PRESSURE: 4896400 248.843 -90.5119 5.27191 -90.5121 -563.059 40.3403 5.2714 40.3412 -44.8379 GPRESSURE: 4896400 140.108 9.97574 58.9902 24.4492 -380.216 -47.4416 -86.4588 197.691 -24.6899 PRESSAVG: 4896400 -2.50851 -28.8089 -2.6055 -28.8089 -4.56273 -17.272 -2.60551 -17.272 4.80948 GPRESSAVG: 4896400 -4.1706 -28.1353 -1.99069 -26.4695 -2.61237 -16.5224 -2.32938 -18.7662 4.44289 TIMING: 4896400 CPU: 15564.5, 0.0032614/step Wall: 15564.5, 0.0032614/step, 0.093856 hours remaining, 238.921875 MB of memory in use. ENERGY: 4896400 3966.7180 20582.8473 14392.2227 230.7006 -203585.0417 2545.7732 0.0000 0.0000 52396.4388 -109470.3411 301.1231 -161866.7799 -109094.4971 300.0397 -119.6847 -88.2660 759501.7181 -0.7539 -0.7800 PRESSURE: 4896600 115.411 223.985 -89.3477 223.984 65.3032 56.2558 -89.3473 56.2553 335.592 GPRESSURE: 4896600 112.131 108.177 -131.396 166.008 57.9514 24.4165 -5.51815 38.5153 417.082 PRESSAVG: 4896600 21.2239 -25.7861 35.6846 -25.7861 -47.8721 -8.41816 35.6846 -8.41818 -2.69432 GPRESSAVG: 4896600 22.9078 -25.0551 37.347 -28.5041 -48.5464 -8.6878 32.7853 -8.07996 -3.25829 TIMING: 4896600 CPU: 15565.1, 0.00320601/step Wall: 15565.1, 0.00320601/step, 0.0920836 hours remaining, 239.125000 MB of memory in use. ENERGY: 4896600 3986.1968 20711.0984 14473.5779 244.2100 -203253.1778 2355.2540 0.0000 0.0000 52001.7002 -109481.1405 298.8545 -161482.8407 -109119.8708 299.9724 172.1022 195.7215 759290.1411 -9.7808 -9.6323 PRESSURE: 4896800 -238.553 -20.0651 -154.588 -20.0649 -244.485 183.068 -154.588 183.069 -164.167 GPRESSURE: 4896800 -132.686 -46.8752 -230.063 24.5646 -247.062 125.305 -175.667 274.779 -168.841 PRESSAVG: 4896800 9.18958 -34.2423 -34.5405 -34.2423 23.5462 50.0757 -34.5405 50.0756 -16.5137 GPRESSAVG: 4896800 7.41436 -35.5311 -36.0868 -33.8006 23.717 49.1918 -32.8239 50.0154 -15.6225 TIMING: 4896800 CPU: 15565.8, 0.00318462/step Wall: 15565.8, 0.00318461/step, 0.0912923 hours remaining, 239.125000 MB of memory in use. ENERGY: 4896800 4023.6790 20579.7136 14339.7590 251.5504 -203760.0921 2578.4449 0.0000 0.0000 52134.2075 -109852.7376 299.6160 -161986.9451 -109493.2247 299.8515 -215.7348 -182.8629 759110.0258 5.4073 5.1696 PRESSURE: 4897000 -129.576 -40.3761 -246.988 -40.3759 138.361 93.4523 -246.987 93.4519 82.194 GPRESSURE: 4897000 -73.1391 -93.8576 -210.426 47.6248 153.361 39.4082 -201.857 189.622 105.681 PRESSAVG: 4897000 -13.4213 -17.0268 -27.0142 -17.0268 41.2084 25.8566 -27.0142 25.8566 -3.35472 GPRESSAVG: 4897000 -12.8264 -15.2465 -26.3727 -16.3025 39.2662 26.6763 -28.1454 25.5681 -2.65202 TIMING: 4897000 CPU: 15566.4, 0.00319016/step Wall: 15566.4, 0.00319016/step, 0.0912739 hours remaining, 239.125000 MB of memory in use. ENERGY: 4897000 4003.0420 20492.6698 14363.0809 252.1800 -203770.4367 2665.0020 0.0000 0.0000 52314.7248 -109679.7372 300.6534 -161994.4620 -109310.3434 299.3419 30.3265 61.9678 760643.3494 8.1441 7.9293 PRESSURE: 4897200 -80.5357 -168.131 26.8264 -168.131 -178.332 -28.3872 26.8278 -28.3867 -247.639 GPRESSURE: 4897200 -122.38 -184.622 -58.6126 -115.701 -117.194 -116.495 -81.2393 -45.2498 -165.196 PRESSAVG: 4897200 -46.6738 -21.4838 -2.00926 -21.4839 31.4983 11.0895 -2.00922 11.0895 38.3478 GPRESSAVG: 4897200 -48.238 -21.9753 -1.05883 -22.2098 32.7837 10.7853 -0.52377 11.2295 38.8445 TIMING: 4897200 CPU: 15567.1, 0.00323504/step Wall: 15567.1, 0.00323504/step, 0.0923783 hours remaining, 239.125000 MB of memory in use. ENERGY: 4897200 3981.3361 20603.8745 14483.1079 248.3986 -203145.1872 2257.4549 0.0000 0.0000 51861.3390 -109709.6764 298.0478 -161571.0153 -109351.2341 299.2642 -168.8354 -134.9234 760854.1275 7.7241 7.7967 PRESSURE: 4897400 34.1543 -19.9193 -255.521 -19.9203 -146.934 64.7438 -255.521 64.7448 -91.2153 GPRESSURE: 4897400 143.58 -90.8772 -236.057 -43.6099 -188.404 141.677 -174.976 -13.0963 -89.1309 PRESSAVG: 4897400 -15.9032 -65.7778 -66.8255 -65.7777 7.09827 19.0745 -66.8256 19.0745 -13.728 GPRESSAVG: 4897400 -14.9683 -65.5359 -68.7158 -68.0764 6.70594 19.5273 -66.4888 16.8666 -15.211 TIMING: 4897400 CPU: 15567.7, 0.00323268/step Wall: 15567.7, 0.00323268/step, 0.0921314 hours remaining, 239.125000 MB of memory in use. ENERGY: 4897400 4018.1769 20633.3887 14364.6658 252.8317 -203987.8002 2713.1024 0.0000 0.0000 52002.8542 -110002.7805 298.8611 -162005.6347 -109643.4831 298.4596 -67.9984 -44.6517 758544.1161 -7.5110 -7.8245 PRESSURE: 4897600 9.39022 -8.33345 114.2 -8.33294 466.509 60.0443 114.2 60.0446 46.4245 GPRESSURE: 4897600 118.733 -28.5287 155.487 -5.07144 406.177 35.0572 40.9252 31.5589 86.2024 PRESSAVG: 4897600 34.5195 -85.4991 -13.0136 -85.4991 9.24774 -4.87919 -13.0137 -4.8792 1.21195 GPRESSAVG: 4897600 34.9292 -86.9533 -12.4502 -83.289 8.52966 -5.30359 -15.832 -3.27848 2.02289 TIMING: 4897600 CPU: 15568.4, 0.00322388/step Wall: 15568.4, 0.00322388/step, 0.0917015 hours remaining, 239.125000 MB of memory in use. ENERGY: 4897600 3989.2320 20712.2496 14381.0090 254.3004 -203286.4108 2477.6931 0.0000 0.0000 51724.2792 -109747.6474 297.2601 -161471.9266 -109402.4319 298.4816 174.1078 203.7041 759267.9266 14.9930 15.1606 PRESSURE: 4897800 -128.833 9.33106 -36.1418 9.33183 -476.14 -136.439 -36.1418 -136.439 30.9893 GPRESSURE: 4897800 -131.192 -22.0695 -84.1862 75.0018 -429.82 -215.543 5.27936 -136.849 105.844 PRESSAVG: 4897800 -37.7284 -92.0562 -39.7911 -92.0561 29.32 -36.2473 -39.7911 -36.2473 19.7472 GPRESSAVG: 4897800 -37.8825 -90.8445 -39.3744 -91.4922 30.2063 -38.0213 -40.7201 -35.4938 19.6121 TIMING: 4897800 CPU: 15569, 0.00321264/step Wall: 15569, 0.00321264/step, 0.0912032 hours remaining, 239.125000 MB of memory in use. ENERGY: 4897800 3987.1090 20378.2764 14483.1794 249.4152 -203058.0359 2093.2289 0.0000 0.0000 51952.4142 -109914.4128 298.5712 -161866.8270 -109553.0023 298.8181 -191.3280 -151.7224 760502.2734 3.7796 3.9786 PRESSURE: 4898000 26.9536 -45.9483 272.97 -45.9487 281.912 -104.569 272.969 -104.569 -13.2629 GPRESSURE: 4898000 -12.3318 -17.3873 242.658 -112.723 332.85 -28.3968 258.126 4.25413 70.6673 PRESSAVG: 4898000 -32.3533 3.54211 -8.43137 3.54204 -19.8715 5.84596 -8.43144 5.84599 -11.2687 GPRESSAVG: 4898000 -32.5889 4.42815 -8.69268 2.79522 -19.0312 9.45211 -6.4192 3.27217 -11.5233 TIMING: 4898000 CPU: 15569.6, 0.0031886/step Wall: 15569.6, 0.0031886/step, 0.0903437 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4898000 3948.3370 20650.1928 14425.7591 250.2973 -203507.2289 2461.9416 0.0000 0.0000 52208.0361 -109562.6651 300.0403 -161770.7012 -109199.2885 299.1308 98.5342 130.3953 761087.9272 -21.1645 -21.0478 PRESSURE: 4898200 -252.003 -143.469 -158.438 -143.469 -155.531 57.058 -158.438 57.0571 -322.777 GPRESSURE: 4898200 -161.41 -16.258 -101.964 -22.8586 -163.592 63.1841 -218.76 258.799 -328.649 PRESSAVG: 4898200 -55.0889 -80.0349 23.5908 -80.035 30.8766 9.43079 23.5907 9.43083 -5.74778 GPRESSAVG: 4898200 -55.0888 -80.6062 23.686 -81.1789 31.2274 6.61166 22.7609 12.1249 -6.47737 TIMING: 4898200 CPU: 15570.3, 0.00323114/step Wall: 15570.3, 0.00323114/step, 0.0913694 hours remaining, 239.125000 MB of memory in use. ENERGY: 4898200 4015.7046 20513.1161 14444.5414 253.4776 -203640.7482 2660.9910 0.0000 0.0000 52166.6425 -109586.2750 299.8024 -161752.9175 -109221.3199 299.3061 -243.4369 -217.8836 762823.9646 -9.9867 -10.1129 PRESSURE: 4898400 172.761 81.9558 -260.552 81.9553 -100.165 120.84 -260.551 120.84 -211.128 GPRESSURE: 4898400 117.446 74.4106 -327.481 85.4021 -19.4229 146.075 -219.154 86.8304 -134.538 PRESSAVG: 4898400 18.3081 -0.000404299 5.16916 -0.00040565 40.7006 15.4431 5.16915 15.443 2.7795 GPRESSAVG: 4898400 19.0568 -0.585149 5.08321 2.49764 39.8855 16.8888 4.51745 13.6823 2.76368 TIMING: 4898400 CPU: 15570.9, 0.00321059/step Wall: 15570.9, 0.00321059/step, 0.0906101 hours remaining, 239.125000 MB of memory in use. ENERGY: 4898400 4032.2088 20368.6293 14451.2402 248.9585 -203323.6513 2312.1267 0.0000 0.0000 52145.5922 -109764.8956 299.6814 -161910.4878 -109387.5069 299.7191 -46.1773 -12.1717 760662.4352 20.5960 20.5687 PRESSURE: 4898600 -36.3599 -87.2329 193.735 -87.233 33.992 -8.78075 193.735 -8.78216 134.015 GPRESSURE: 4898600 96.7299 -50.9918 121.585 6.6688 31.2877 52.258 140.723 87.6712 95.035 PRESSAVG: 4898600 -50.2357 -26.1658 -18.6697 -26.1658 66.4866 57.9857 -18.6697 57.9857 10.8331 GPRESSAVG: 4898600 -51.6755 -26.3955 -19.1341 -27.3465 65.6559 58.3366 -16.721 56.6938 13.2952 TIMING: 4898600 CPU: 15571.6, 0.0032075/step Wall: 15571.6, 0.0032075/step, 0.0903446 hours remaining, 239.125000 MB of memory in use. ENERGY: 4898600 3983.3305 20484.3546 14488.3814 233.3735 -203091.3395 2117.0842 0.0000 0.0000 52066.3779 -109718.4374 299.2262 -161784.8154 -109348.0169 298.9448 43.8824 74.3509 761410.3968 9.0280 9.0918 PRESSURE: 4898800 74.9768 -171.511 -173.19 -171.511 -290.034 -189.973 -173.19 -189.974 224.378 GPRESSURE: 4898800 93.7948 -89.2227 -264.723 -138.148 -213.075 -105.879 -167.729 -202.752 210.619 PRESSAVG: 4898800 -9.3516 -20.7188 -26.9272 -20.7187 19.4548 -54.994 -26.9272 -54.994 12.5718 GPRESSAVG: 4898800 -7.67327 -19.1036 -26.105 -20.6365 19.5888 -56.5351 -27.4587 -51.9516 10.5086 TIMING: 4898800 CPU: 15572.2, 0.00323117/step Wall: 15572.2, 0.00323117/step, 0.0908316 hours remaining, 239.125000 MB of memory in use. ENERGY: 4898800 4008.0776 20542.5929 14445.7599 241.3122 -203239.1986 2260.0052 0.0000 0.0000 52037.1409 -109704.3100 299.0582 -161741.4509 -109340.0188 298.6881 3.1069 30.4464 762157.1177 7.5583 7.4747 PRESSURE: 4899000 154.36 91.9924 197.821 91.9924 -130.833 -204.802 197.821 -204.803 -79.7469 GPRESSURE: 4899000 138.201 189.997 259.681 5.41928 -15.1134 -114.338 199.264 -181.357 -60.0203 PRESSAVG: 4899000 6.35831 -23.3674 21.2132 -23.3674 -5.56919 -17.9707 21.2133 -17.9707 -4.89266 GPRESSAVG: 4899000 5.3537 -24.8278 21.886 -23.4116 -4.49215 -17.44 19.3515 -19.0539 -5.31862 TIMING: 4899000 CPU: 15572.9, 0.00322643/step Wall: 15572.9, 0.00322643/step, 0.0905192 hours remaining, 239.125000 MB of memory in use. ENERGY: 4899000 3957.6408 20238.0921 14423.6782 258.5131 -203296.9386 2589.4402 0.0000 0.0000 52291.3705 -109538.2037 300.5192 -161829.5742 -109175.9820 299.0802 -18.7399 21.0224 761219.2747 -1.3678 -1.4857 PRESSURE: 4899200 -372.512 -272.045 -137.103 -272.045 -249.277 31.6418 -137.102 31.6411 -131.268 GPRESSURE: 4899200 -385.07 -178.542 -94.0536 -198.178 -176.495 -37.3429 -187.719 32.3277 -114.215 PRESSAVG: 4899200 -46.0024 -12.3391 -28.7739 -12.339 34.2966 4.60185 -28.7738 4.60189 0.824927 GPRESSAVG: 4899200 -46.6349 -12.0426 -29.5814 -10.6865 33.2316 4.9263 -25.7088 4.68562 2.45871 TIMING: 4899200 CPU: 15573.5, 0.00322776/step Wall: 15573.5, 0.00322776/step, 0.0903773 hours remaining, 239.125000 MB of memory in use. ENERGY: 4899200 3993.5988 20552.7061 14474.5124 248.7232 -202890.2368 2141.1575 0.0000 0.0000 52034.4813 -109445.0575 299.0429 -161479.5387 -109079.8269 299.4660 -251.0189 -225.2602 763252.1441 -3.6270 -3.6482 PRESSURE: 4899400 271.577 -37.7289 181.065 -37.7288 45.2275 -22.0987 181.066 -22.0999 366.085 GPRESSURE: 4899400 223.687 7.4759 215.084 15.1946 171.247 -65.5647 171.927 65.2696 389.889 PRESSAVG: 4899400 -22.4586 -83.5294 -67.1018 -83.5294 7.65964 -2.2937 -67.1018 -2.29376 -15.8284 GPRESSAVG: 4899400 -21.0579 -85.2193 -66.956 -82.8444 7.94538 -3.12266 -69.5758 -2.92145 -17.5084 TIMING: 4899400 CPU: 15574.2, 0.00322313/step Wall: 15574.2, 0.00322313/step, 0.0900685 hours remaining, 239.125000 MB of memory in use. ENERGY: 4899400 3954.0180 20609.7217 14498.3660 235.4520 -203379.3517 2617.3341 0.0000 0.0000 52222.5924 -109241.8676 300.1240 -161464.4600 -108878.2030 299.6972 227.6300 261.6080 760379.2893 -10.2091 -10.2069 PRESSURE: 4899600 133.207 -30.2551 92.0213 -30.2546 -228.963 163.867 92.0222 163.866 -359.376 GPRESSURE: 4899600 164.187 82.6634 113.963 9.75525 -222.044 174.617 243.2 142.214 -307.971 PRESSAVG: 4899600 46.5189 -91.7689 23.6542 -91.769 -26.6408 22.2205 23.6541 22.2204 -22.0019 GPRESSAVG: 4899600 45.7547 -89.7869 24.0644 -94.1128 -27.5678 22.6307 23.6804 22.3202 -20.6967 TIMING: 4899600 CPU: 15574.8, 0.00321888/step Wall: 15574.8, 0.00321888/step, 0.089771 hours remaining, 239.125000 MB of memory in use. ENERGY: 4899600 3989.6720 20441.0000 14362.1367 263.1217 -203124.1797 2371.2303 0.0000 0.0000 52311.4246 -109385.5945 300.6345 -161697.0191 -109010.4434 300.2765 -151.7108 -121.9427 761210.1904 -0.7080 -0.8366 PRESSURE: 4899800 -62.2297 265.407 -120.596 265.408 296.046 185.905 -120.595 185.904 281.529 GPRESSURE: 4899800 107.984 193.74 -135.553 237.691 259.736 179.01 -78.0065 74.6294 221.14 PRESSAVG: 4899800 -5.42859 -71.0167 16.9987 -71.0166 -27.2894 -5.07389 16.9988 -5.07388 -14.215 GPRESSAVG: 4899800 -5.18028 -73.3456 17.557 -69.0675 -27.1573 -5.40628 15.8725 -5.18338 -13.7652 TIMING: 4899800 CPU: 15575.4, 0.00321791/step Wall: 15575.4, 0.00321791/step, 0.089565 hours remaining, 239.125000 MB of memory in use. ENERGY: 4899800 3898.3173 20503.3386 14477.6833 237.9825 -203186.5633 2482.5631 0.0000 0.0000 52242.0387 -109344.6398 300.2357 -161586.6785 -108978.6564 300.0389 171.7819 196.2867 760886.9891 -15.6443 -15.3676 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4900000 242.642 98.9235 53.4578 98.923 -3.99167 -146.489 53.4581 -146.489 -387.928 GPRESSURE: 4900000 301.289 137.75 49.938 168.384 29.5572 -212.972 24.7583 -169.613 -381.704 PRESSAVG: 4900000 15.9039 -13.3709 -20.28 -13.3709 -8.96887 -49.1521 -20.28 -49.1521 -15.0095 GPRESSAVG: 4900000 15.3622 -12.6577 -21.3132 -14.8288 -7.94884 -49.1946 -18.6204 -49.4839 -15.4388 TIMING: 4900000 CPU: 15576.1, 0.00330709/step Wall: 15576.1, 0.00330709/step, 0.0918636 hours remaining, 239.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4900000 4038.4662 20383.2433 14426.3868 236.1116 -203126.4357 2557.3405 0.0000 0.0000 52019.1573 -109465.7300 298.9548 -161484.8874 -109097.1101 299.6674 -49.7593 -16.9526 760616.4756 -2.6915 -2.6752 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4900200 -34.4767 55.292 -143.727 55.2926 -19.2996 -207.604 -143.727 -207.604 102.909 GPRESSURE: 4900200 18.7062 -2.4339 -234.212 10.6153 6.371 -238.414 60.3225 -113.007 133.867 PRESSAVG: 4900200 25.8454 -34.1519 9.06325 -34.1519 -8.62778 -101.623 9.06325 -101.623 -3.35992 GPRESSAVG: 4900200 25.6676 -32.6637 9.72332 -34.6652 -8.67268 -101.678 9.49184 -101.232 -3.66641 TIMING: 4900200 CPU: 15576.8, 0.00325104/step Wall: 15576.8, 0.00325104/step, 0.0901262 hours remaining, 239.125000 MB of memory in use. ENERGY: 4900200 3990.5696 20377.2013 14423.3768 231.3529 -203324.8307 2519.5928 0.0000 0.0000 52310.8894 -109471.8479 300.6314 -161782.7373 -109103.6146 299.4810 16.3774 52.9814 759747.4221 4.6192 4.4429 LDB: ============= START OF LOAD BALANCING ============== 15589.2 LDB: ============== END OF LOAD BALANCING =============== 15589.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15589.2 LDB: ============= START OF LOAD BALANCING ============== 15589.5 LDB: Largest compute 7034 load 0.036994 is 18.9% of average load 0.196024 LDB: Average compute 0.004410 is 2.2% of average load 0.196024 LDB: TIME 15589.5 LOAD: AVG 0.196024 MAX 0.215254 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.902 MB LDB: TIME 15589.5 LOAD: AVG 0.196024 MAX 0.215254 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: TIME 15589.5 LOAD: AVG 0.196024 MAX 0.215254 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: ============== END OF LOAD BALANCING =============== 15589.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15589.5 PRESSURE: 4900400 -517.542 -73.5455 163.964 -73.5458 131.965 123.009 163.964 123.01 -234.086 GPRESSURE: 4900400 -374.421 -62.9402 123.119 -76.0377 109.149 73.8254 92.6935 126.662 -259.902 PRESSAVG: 4900400 57.4901 4.46947 -22.6349 4.46946 12.6571 -14.7952 -22.6349 -14.7952 -10.3707 GPRESSAVG: 4900400 57.9539 6.37126 -23.1909 4.09218 12.134 -15.2672 -20.8657 -15.3512 -11.1905 TIMING: 4900400 CPU: 15577.4, 0.00327748/step Wall: 15577.4, 0.00327748/step, 0.0906769 hours remaining, 237.843750 MB of memory in use. ENERGY: 4900400 3991.4945 20592.9467 14518.5279 230.3147 -203109.4356 2219.9280 0.0000 0.0000 52026.7168 -109529.5068 298.9983 -161556.2237 -109180.1795 299.6436 -206.5544 -175.0581 759820.6810 19.9255 19.6325 PRESSURE: 4900600 309.43 92.6493 85.3448 92.6496 91.2422 70.0344 85.3449 70.0338 -54.9808 GPRESSURE: 4900600 311.887 86.3545 172.208 6.66816 177.898 158.446 -40.2509 105.096 -37.2543 PRESSAVG: 4900600 4.65981 -1.35325 -3.97758 -1.35323 -5.38502 -12.8985 -3.97758 -12.8985 20.9607 GPRESSAVG: 4900600 3.94156 -2.01594 -2.91333 -3.72939 -5.18027 -10.6839 -7.03655 -12.6728 21.629 TIMING: 4900600 CPU: 15578.1, 0.00322/step Wall: 15578.1, 0.00322/step, 0.0889077 hours remaining, 237.843750 MB of memory in use. ENERGY: 4900600 4052.0925 20750.9172 14458.5805 255.1993 -203511.7941 2580.9059 0.0000 0.0000 52125.3471 -109288.7516 299.5651 -161414.0987 -108932.0203 299.6552 115.2303 150.8436 759255.8161 6.7452 6.7968 PRESSURE: 4900800 -193.695 41.8301 -140.313 41.8302 -148.356 -200.573 -140.314 -200.573 46.4668 GPRESSURE: 4900800 -243.291 -28.8372 -126.592 136.372 -46.5059 -208.743 -150.687 -61.1114 96.2685 PRESSAVG: 4900800 41.3379 5.45073 -32.0557 5.45073 -53.804 -18.3315 -32.0557 -18.3316 -9.21405 GPRESSAVG: 4900800 40.7705 3.97947 -33.964 8.7376 -53.0987 -19.3125 -31.935 -17.5983 -9.43982 TIMING: 4900800 CPU: 15578.7, 0.00323096/step Wall: 15578.7, 0.00323096/step, 0.0890309 hours remaining, 237.843750 MB of memory in use. ENERGY: 4900800 3981.1314 20574.6900 14405.4424 246.8951 -202940.4352 2271.4643 0.0000 0.0000 52042.8375 -109417.9745 299.0909 -161460.8120 -109046.5312 299.8925 -98.5280 -64.5096 761100.2631 -7.2267 -7.2560 PRESSURE: 4901000 234.741 -85.5641 209.345 -85.5643 156.531 -217.123 209.344 -217.122 174.798 GPRESSURE: 4901000 309.244 36.2909 185.241 -67.2746 202.592 -395.52 110.465 -30.8753 134.324 PRESSAVG: 4901000 30.5554 -56.0722 1.28226 -56.0724 -32.8149 -23.4841 1.28223 -23.4841 5.18072 GPRESSAVG: 4901000 30.6191 -55.4435 1.67397 -55.444 -33.2201 -25.4597 1.66916 -22.6086 4.74119 TIMING: 4901000 CPU: 15579.3, 0.00322685/step Wall: 15579.3, 0.00322685/step, 0.0887385 hours remaining, 237.843750 MB of memory in use. ENERGY: 4901000 3923.6659 20499.7866 14402.5605 251.7417 -203489.0281 2843.7585 0.0000 0.0000 52077.9755 -109489.5394 299.2928 -161567.5149 -109124.7174 299.0794 188.6899 215.3866 758763.9457 0.9738 0.7134 PRESSURE: 4901200 -6.0812 18.9357 -112.287 18.9363 -392.263 109.486 -112.287 109.486 87.5846 GPRESSURE: 4901200 13.1692 -70.5095 -92.7847 83.2683 -286.634 95.6835 -91.4159 7.24945 41.663 PRESSAVG: 4901200 33.2423 -50.4574 -36.0099 -50.4574 -5.75962 -54.9993 -36.0099 -54.9993 3.34228 GPRESSAVG: 4901200 33.0331 -52.5966 -34.536 -50.9194 -6.28102 -53.0724 -37.4269 -54.898 4.43706 TIMING: 4901200 CPU: 15580, 0.00323063/step Wall: 15580, 0.00323063/step, 0.0886629 hours remaining, 237.843750 MB of memory in use. ENERGY: 4901200 3961.4737 20483.3541 14360.5230 228.8178 -202750.1905 2147.3062 0.0000 0.0000 51977.6624 -109591.0532 298.7163 -161568.7156 -109238.2836 298.5847 -103.5864 -77.2673 762636.1204 10.2750 10.3964 PRESSURE: 4901400 -85.859 -114.572 -33.9513 -114.572 30.7191 124.822 -33.952 124.822 -143.878 GPRESSURE: 4901400 -104.825 -210.727 -77.352 -115.567 34.5541 36.8685 -1.54886 132.001 -45.9382 PRESSAVG: 4901400 27.866 -25.4906 -1.87522 -25.4906 -50.9072 9.40955 -1.87522 9.40951 -6.2715 GPRESSAVG: 4901400 29.1771 -25.7531 -2.18477 -25.7212 -52.4974 9.02118 -0.602334 8.45435 -6.35845 TIMING: 4901400 CPU: 15580.6, 0.00324955/step Wall: 15580.6, 0.00324955/step, 0.0890015 hours remaining, 237.843750 MB of memory in use. ENERGY: 4901400 4048.9473 20515.1613 14386.7162 264.9472 -203299.6945 2522.9170 0.0000 0.0000 51826.5522 -109734.4533 297.8479 -161561.0054 -109372.3441 299.0062 -66.3393 -38.7364 761245.0378 -9.7709 -9.8929 PRESSURE: 4901600 60.1193 169.711 -191.142 169.71 -69.1543 -98.4098 -191.142 -98.4091 2.90133 GPRESSURE: 4901600 42.6258 210.544 -194.935 146.085 -2.54008 -150.261 -123.669 15.4021 28.5921 PRESSAVG: 4901600 -1.15173 -30.5369 -41.1835 -30.5368 0.126127 14.4416 -41.1836 14.4415 6.37969 GPRESSAVG: 4901600 -1.31287 -30.7489 -42.7955 -30.647 0.846902 12.9658 -40.698 15.3901 5.70364 TIMING: 4901600 CPU: 15581.3, 0.00323317/step Wall: 15581.3, 0.00323317/step, 0.0883733 hours remaining, 237.843750 MB of memory in use. ENERGY: 4901600 3936.0408 20405.5647 14442.0513 262.8622 -203228.8405 2434.0361 0.0000 0.0000 51993.6205 -109754.6650 298.8081 -161748.2854 -109396.0769 298.6676 -2.0446 22.8926 760392.8516 1.7847 1.7459 PRESSURE: 4901800 13.5153 -165.77 130.24 -165.77 -237.596 45.295 130.241 45.2956 -220.75 GPRESSURE: 4901800 52.8643 -142.188 76.0642 -297.299 -167.694 65.5712 33.3972 77.9886 -250.301 PRESSAVG: 4901800 6.92714 -16.9452 -28.1618 -16.9452 -30.1811 -25.1832 -28.1619 -25.183 -31.0937 GPRESSAVG: 4901800 5.74937 -17.8769 -27.1791 -18.5968 -30.1837 -24.2729 -27.6018 -25.8376 -30.1892 TIMING: 4901800 CPU: 15581.9, 0.00323228/step Wall: 15581.9, 0.00323228/step, 0.0881694 hours remaining, 237.843750 MB of memory in use. ENERGY: 4901800 3985.6139 20625.9600 14474.2748 258.6091 -203226.4519 2434.5593 0.0000 0.0000 51866.1905 -109581.2444 298.0757 -161447.4349 -109233.4697 298.8862 -148.2768 -121.7105 759852.4751 -18.1159 -18.2078 PRESSURE: 4902000 86.1471 146.839 -174.113 146.838 194.444 -172.091 -174.113 -172.091 108.991 GPRESSURE: 4902000 71.7723 13.3806 -243.941 119.732 192.417 -214.745 -116.791 -239.124 228.959 PRESSAVG: 4902000 23.4264 -20.7771 -32.6297 -20.7771 25.5039 -58.7146 -32.6298 -58.7146 1.28813 GPRESSAVG: 4902000 23.7703 -18.9113 -31.5118 -19.6507 25.4493 -60.8452 -34.2875 -58.1219 0.532893 TIMING: 4902000 CPU: 15582.6, 0.0032573/step Wall: 15582.6, 0.0032573/step, 0.088671 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4902000 3943.8265 20423.9178 14448.6642 252.0375 -203199.6058 2510.3058 0.0000 0.0000 51956.2236 -109664.6305 298.5931 -161620.8541 -109303.0777 298.9864 129.8609 164.3827 758631.6465 16.7395 16.5842 PRESSURE: 4902200 -354.863 70.0534 -139.968 70.0526 -24.3135 -225.851 -139.968 -225.85 21.7558 GPRESSURE: 4902200 -269.165 -1.94146 -107.808 -37.7014 -14.7525 -198.478 -74.0239 -263.919 42.1495 PRESSAVG: 4902200 -16.7037 -29.3312 -10.0945 -29.3312 16.0784 -21.4962 -10.0945 -21.4962 36.9555 GPRESSAVG: 4902200 -16.7264 -29.8254 -10.1087 -29.5418 15.4291 -17.1373 -9.21545 -22.8346 37.2618 TIMING: 4902200 CPU: 15583.2, 0.00322745/step Wall: 15583.2, 0.00322745/step, 0.087679 hours remaining, 237.843750 MB of memory in use. ENERGY: 4902200 3924.1130 20257.4080 14434.5362 264.6595 -203090.0355 2232.4927 0.0000 0.0000 52308.8332 -109667.9929 300.6196 -161976.8261 -109310.5216 298.6926 -119.1402 -80.5895 759603.5343 12.1101 11.9881 PRESSURE: 4902400 -43.5653 -20.1255 -94.2902 -20.1257 -99.67 275.521 -94.2913 275.52 48.4637 GPRESSURE: 4902400 -83.2334 -89.5245 -178.077 -58.4838 -61.6013 258.211 -99.8094 137.464 134.682 PRESSAVG: 4902400 13.8105 -24.2982 -9.61666 -24.2981 -2.61659 6.60365 -9.61674 6.60368 24.5185 GPRESSAVG: 4902400 13.6658 -22.6849 -10.4583 -25.6266 -1.21227 4.72634 -9.63501 5.89757 24.0953 TIMING: 4902400 CPU: 15583.9, 0.00324666/step Wall: 15583.9, 0.00324666/step, 0.0880207 hours remaining, 237.843750 MB of memory in use. ENERGY: 4902400 3979.5692 20553.6770 14366.1250 258.2173 -203584.4408 2612.2974 0.0000 0.0000 52172.2321 -109642.3228 299.8345 -161814.5549 -109277.6826 299.5516 -31.5905 -3.3841 759459.0034 11.9041 12.1829 PRESSURE: 4902600 -130.765 77.0911 164.752 77.0918 -105.884 -70.7499 164.753 -70.7495 92.1826 GPRESSURE: 4902600 -51.4942 84.1013 164.227 236.767 -165.197 -92.9717 132.047 9.51737 137.51 PRESSAVG: 4902600 -3.76092 -44.9041 26.4864 -44.9041 -11.7882 -26.1863 26.4864 -26.1863 4.43435 GPRESSAVG: 4902600 -3.43099 -46.2657 26.2011 -43.9635 -11.8692 -25.7444 25.6813 -25.0277 4.03871 TIMING: 4902600 CPU: 15584.5, 0.00322628/step Wall: 15584.5, 0.00322628/step, 0.0872889 hours remaining, 237.843750 MB of memory in use. ENERGY: 4902600 4000.5151 20580.9480 14456.1893 257.3933 -203621.3408 2552.2772 0.0000 0.0000 52013.0094 -109761.0086 298.9195 -161774.0180 -109391.8369 299.2281 -48.1553 -26.3936 759562.6505 -3.7049 -3.7538 PRESSURE: 4902800 25.7851 -140.474 -163.85 -140.473 -186.438 -60.8992 -163.85 -60.8995 1.24276 GPRESSURE: 4902800 96.2761 -146.85 -79.8698 -55.1426 -189.003 -104.742 -151.724 6.11714 9.38304 PRESSAVG: 4902800 -5.53109 -3.63919 -18.9545 -3.63924 11.941 -8.10474 -18.9545 -8.10472 -3.13165 GPRESSAVG: 4902800 -6.93099 -4.47275 -17.9614 -1.39628 11.9723 -9.14181 -17.2271 -8.04985 -1.79004 TIMING: 4902800 CPU: 15585.2, 0.00322915/step Wall: 15585.2, 0.00322915/step, 0.0871871 hours remaining, 237.843750 MB of memory in use. ENERGY: 4902800 4005.9395 20459.1316 14423.9189 249.1431 -203613.7024 2605.1190 0.0000 0.0000 52142.3446 -109728.1057 299.6628 -161870.4503 -109365.9093 299.0425 -53.1367 -27.7812 760711.1871 1.0928 1.0838 PRESSURE: 4903000 -61.9055 -112.921 7.29079 -112.92 -146.958 -73.4912 7.29037 -73.4909 -111.683 GPRESSURE: 4903000 -46.0523 -119.609 -50.4411 -98.1413 -131.168 21.2821 -44.345 -148.374 -50.9715 PRESSAVG: 4903000 -5.56963 -4.86119 -0.999699 -4.86121 -19.9563 -10.5447 -0.999639 -10.5446 17.5227 GPRESSAVG: 4903000 -5.0619 -1.99788 -3.98165 -6.16182 -21.5433 -10.18 -2.17911 -8.98983 18.2399 TIMING: 4903000 CPU: 15585.8, 0.00318808/step Wall: 15585.8, 0.00318808/step, 0.0859011 hours remaining, 237.843750 MB of memory in use. ENERGY: 4903000 3972.2817 20523.0829 14435.9174 242.3776 -203108.6017 2355.1807 0.0000 0.0000 51889.6072 -109690.1543 298.2103 -161579.7615 -109332.5918 298.7803 -106.8491 -76.0638 760401.7897 -2.6678 -2.7884 PRESSURE: 4903200 -76.7079 -3.95074 -113.8 -3.95211 -127.704 88.5427 -113.8 88.5429 -124.96 GPRESSURE: 4903200 -62.9831 55.6314 -33.8407 -110.687 -54.5963 131.911 -113.385 59.2322 -126.126 PRESSAVG: 4903200 31.107 -32.8917 -3.17156 -32.8917 -61.1542 0.16202 -3.17155 0.16199 30.2981 GPRESSAVG: 4903200 32.1261 -31.9536 -1.53621 -35.0978 -59.5617 2.0801 -2.30023 -1.69542 28.6096 TIMING: 4903200 CPU: 15586.4, 0.00319671/step Wall: 15586.4, 0.00319671/step, 0.0859559 hours remaining, 237.843750 MB of memory in use. ENERGY: 4903200 3947.4438 20703.8907 14406.8792 236.8237 -203337.8370 2456.1869 0.0000 0.0000 52030.9674 -109555.6454 299.0227 -161586.6128 -109183.7033 299.2182 -109.7906 -81.2351 761353.8405 0.0836 0.3913 PRESSURE: 4903400 251.951 -13.3382 262.563 -13.339 -183.64 111.807 262.563 111.807 -208.343 GPRESSURE: 4903400 257.832 -70.8796 282.679 -26.0772 -127.2 41.4495 341.673 226.055 -172.702 PRESSAVG: 4903400 60.0612 -62.5248 15.5762 -62.5248 -19.9205 -33.8798 15.5762 -33.8797 -18.4096 GPRESSAVG: 4903400 59.9162 -65.799 16.2046 -58.8524 -20.0879 -36.6239 15.1612 -32.2389 -18.3506 TIMING: 4903400 CPU: 15587.1, 0.00322866/step Wall: 15587.1, 0.00322866/step, 0.0866357 hours remaining, 237.843750 MB of memory in use. ENERGY: 4903400 3997.0295 20397.2196 14476.7506 234.9862 -203304.5275 2651.9532 0.0000 0.0000 52114.1440 -109432.4444 299.5007 -161546.5885 -109071.4323 298.9777 -46.6773 -14.0235 761705.0389 7.2437 7.1592 PRESSURE: 4903600 146.06 -197.642 295.942 -197.643 198.56 -230.984 295.941 -230.985 33.0566 GPRESSURE: 4903600 171.804 -118.103 354.248 -210.648 267.473 -312.915 179.192 -326.024 49.4871 PRESSAVG: 4903600 -11.6791 -37.2249 44.1948 -37.2249 0.871844 -17.4686 44.1948 -17.4685 -14.1422 GPRESSAVG: 4903600 -12.4717 -34.5429 43.535 -38.9991 1.12192 -15.0577 44.675 -20.4391 -12.6943 TIMING: 4903600 CPU: 15587.7, 0.00323327/step Wall: 15587.7, 0.00323327/step, 0.0865799 hours remaining, 237.843750 MB of memory in use. ENERGY: 4903600 3887.4819 20619.4064 14431.6329 238.0925 -203209.2617 2580.4301 0.0000 0.0000 52035.1110 -109417.1068 299.0465 -161452.2178 -109043.7381 299.2870 125.8920 162.9215 761398.3150 -8.3165 -8.0147 PRESSURE: 4903800 -12.9003 91.9332 -100.954 91.9334 -122.322 60.1836 -100.954 60.1844 383.295 GPRESSURE: 4903800 -25.1983 238.109 -93.6608 21.3787 48.6572 57.6668 -65.5218 -93.2382 307.1 PRESSAVG: 4903800 52.9835 -31.7605 69.0289 -31.7604 -36.5327 -32.3347 69.0289 -32.3346 2.04906 GPRESSAVG: 4903800 53.6159 -32.7079 70.1543 -30.3216 -34.9828 -32.6949 68.0881 -34.2262 -0.179449 TIMING: 4903800 CPU: 15588.4, 0.00323978/step Wall: 15588.4, 0.00323978/step, 0.0865742 hours remaining, 237.843750 MB of memory in use. ENERGY: 4903800 3924.2729 20680.4259 14433.3308 238.4971 -203614.5439 2794.7920 0.0000 0.0000 52052.1362 -109491.0891 299.1443 -161543.2253 -109135.1288 299.5135 82.6908 110.1864 759924.2204 6.1666 6.1512 PRESSURE: 4904000 125.618 -16.8089 -14.9843 -16.8091 -292.723 37.0068 -14.9845 37.007 585.891 GPRESSURE: 4904000 104.367 -122.019 -37.9297 53.6001 -155.564 32.0336 15.6249 62.9002 550.529 PRESSAVG: 4904000 27.0729 -37.2008 2.35392 -37.2008 -18.7009 -15.8082 2.35387 -15.8082 -6.27672 GPRESSAVG: 4904000 26.2783 -37.0134 2.10536 -39.9981 -19.765 -16.9444 1.99798 -12.5335 -4.50107 TIMING: 4904000 CPU: 15589, 0.00320255/step Wall: 15589, 0.00320255/step, 0.0854015 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4904000 3896.3570 20540.9596 14496.0930 249.0550 -203618.7592 2657.7018 0.0000 0.0000 52134.3591 -109644.2337 299.6169 -161778.5928 -109286.0432 299.4142 139.5956 166.4443 761672.9908 0.6984 0.6708 PRESSURE: 4904200 181.504 -110.735 -75.9918 -110.734 -19.2408 -5.58076 -75.9914 -5.58137 -243.455 GPRESSURE: 4904200 138.874 -84.9847 -40.54 -127.424 27.1681 25.8444 -17.0233 0.31515 -161.034 PRESSAVG: 4904200 27.5725 -73.7461 2.47882 -73.7461 -11.662 -11.5349 2.47884 -11.5349 2.95471 GPRESSAVG: 4904200 25.2871 -74.6422 3.35989 -71.5153 -10.4947 -10.5756 1.72495 -11.2865 4.43461 TIMING: 4904200 CPU: 15589.7, 0.00319169/step Wall: 15589.7, 0.00319169/step, 0.0849345 hours remaining, 237.843750 MB of memory in use. ENERGY: 4904200 3925.9607 20757.6132 14460.7397 258.0635 -203362.4688 2505.2160 0.0000 0.0000 51844.4327 -109610.4430 297.9507 -161454.8757 -109252.6656 299.2931 -27.0641 1.6693 761079.4505 6.2884 6.4090 LDB: ============= START OF LOAD BALANCING ============== 15602.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15602.1 LDB: =============== DONE WITH MIGRATION ================ 15602.1 LDB: ============= START OF LOAD BALANCING ============== 15602.4 LDB: Largest compute 7034 load 0.035227 is 18.0% of average load 0.196004 LDB: Average compute 0.004422 is 2.3% of average load 0.196004 LDB: TIME 15602.4 LOAD: AVG 0.196004 MAX 0.214683 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.613 MB LDB: TIME 15602.4 LOAD: AVG 0.196004 MAX 0.214683 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 15602.4 LOAD: AVG 0.196004 MAX 0.214683 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 15602.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15602.4 PRESSURE: 4904400 157.849 121.512 -78.6612 121.511 120.426 -17.1164 -78.6611 -17.116 211.519 GPRESSURE: 4904400 187.888 78.3116 -43.8098 44.2952 229.104 -52.2784 0.139451 104.967 165.438 PRESSAVG: 4904400 55.5947 -57.8221 -28.6073 -57.8221 13.8887 -24.8064 -28.6074 -24.8063 2.93938 GPRESSAVG: 4904400 58.6427 -56.5577 -28.5651 -60.1758 12.2117 -25.8651 -26.9351 -24.8909 1.9935 TIMING: 4904400 CPU: 15590.3, 0.00326287/step Wall: 15590.3, 0.00326287/step, 0.0866474 hours remaining, 237.843750 MB of memory in use. ENERGY: 4904400 3921.5306 20704.0400 14430.8381 266.5501 -203493.5941 2520.0172 0.0000 0.0000 52094.7807 -109555.8375 299.3894 -161650.6182 -109189.0311 299.6863 163.2645 194.1435 759878.7318 24.1409 24.2826 PRESSURE: 4904600 70.9144 55.7267 124.908 55.7268 -294.172 -237.08 124.908 -237.08 -445.353 GPRESSURE: 4904600 89.4798 -53.697 41.3564 36.1201 -216.509 -220.146 25.967 -195.05 -453.441 PRESSAVG: 4904600 28.9915 -62.2682 -19.2774 -62.2682 -46.0032 -22.9119 -19.2775 -22.912 15.5329 GPRESSAVG: 4904600 27.6877 -62.2845 -20.1123 -60.7313 -43.9163 -21.9546 -21.2931 -21.5355 14.927 TIMING: 4904600 CPU: 15591, 0.00322217/step Wall: 15591, 0.00322217/step, 0.0853875 hours remaining, 237.843750 MB of memory in use. ENERGY: 4904600 3988.9466 20505.9078 14418.0891 252.9581 -203601.3557 2467.4183 0.0000 0.0000 52356.2095 -109611.8264 300.8919 -161968.0358 -109239.5900 299.9270 -222.8704 -193.4902 762419.7767 -0.4930 -0.4339 PRESSURE: 4904800 -227.805 -47.6274 -50.1471 -47.6275 -292.257 24.6468 -50.1463 24.6483 -131.859 GPRESSURE: 4904800 -236.94 -76.4801 -91.2631 -81.4034 -206.04 51.5973 -26.361 -85.5877 -123.509 PRESSAVG: 4904800 -16.4954 -41.5873 36.6369 -41.5873 12.69 -30.344 36.637 -30.344 -12.6223 GPRESSAVG: 4904800 -15.9761 -44.5242 35.5213 -39.9692 11.5576 -31.9678 37.7134 -31.9117 -12.5336 TIMING: 4904800 CPU: 15591.6, 0.00320089/step Wall: 15591.6, 0.00320089/step, 0.0846459 hours remaining, 237.843750 MB of memory in use. ENERGY: 4904800 4001.7519 20515.5641 14443.7024 253.6801 -203437.0196 2397.5700 0.0000 0.0000 52085.8883 -109738.8629 299.3383 -161824.7512 -109367.8665 299.3704 -217.3071 -188.8296 760499.9259 -5.4759 -5.6507 PRESSURE: 4905000 153.058 -241.785 147.491 -241.785 225.445 220.657 147.49 220.658 212.847 GPRESSURE: 4905000 290.029 -79.9239 36.3489 -295.405 130.857 171.067 249.325 172.449 251.646 PRESSAVG: 4905000 45.3334 -69.9319 -4.1201 -69.9319 -11.8573 -10.485 -4.12009 -10.4849 -0.404984 GPRESSAVG: 4905000 45.607 -66.8515 -4.52247 -72.3789 -12.3994 -8.75871 -3.59352 -12.2965 -0.388804 TIMING: 4905000 CPU: 15592.2, 0.00321566/step Wall: 15592.2, 0.00321566/step, 0.0848576 hours remaining, 237.843750 MB of memory in use. ENERGY: 4905000 3960.4832 20752.0445 14450.6690 241.5139 -203930.9225 2858.9730 0.0000 0.0000 51893.2354 -109774.0034 298.2311 -161667.2388 -109410.3931 299.3848 197.1166 224.1773 761102.4826 11.0237 10.9396 PRESSURE: 4905200 19.8108 -153.356 -243.756 -153.355 -290.919 -5.192 -243.756 -5.19221 -138.018 GPRESSURE: 4905200 3.04447 -66.6208 -249.254 -6.97561 -217.795 6.74466 -83.1736 -139.925 -98.1489 PRESSAVG: 4905200 -2.33538 -7.04099 1.30547 -7.04104 42.421 -23.6984 1.30551 -23.6985 -13.0013 GPRESSAVG: 4905200 -3.46098 -7.98435 3.48926 -4.77428 43.3132 -24.3949 2.61854 -21.1971 -12.3856 TIMING: 4905200 CPU: 15592.9, 0.00320408/step Wall: 15592.9, 0.00320408/step, 0.0843742 hours remaining, 237.843750 MB of memory in use. ENERGY: 4905200 3983.2820 20542.5150 14393.2201 246.7895 -203483.0087 2603.2548 0.0000 0.0000 51909.3884 -109804.5588 298.3240 -161713.9472 -109446.6667 298.9236 -136.3753 -104.2997 760851.3890 9.0281 9.1556 PRESSURE: 4905400 617.367 -81.8711 -55.4275 -81.8703 525.662 8.89758 -55.4267 8.89724 406.993 GPRESSURE: 4905400 570.845 -8.72686 -140.866 -32.7634 536.566 -35.224 -78.5813 -75.9884 516.647 PRESSAVG: 4905400 57.0679 -87.8558 22.1324 -87.8557 21.2974 -11.5436 22.1324 -11.5437 -7.01312 GPRESSAVG: 4905400 58.18 -87.5506 20.8752 -87.9731 21.2585 -12.0748 22.8019 -13.4291 -8.50367 TIMING: 4905400 CPU: 15593.5, 0.00321943/step Wall: 15593.5, 0.00321943/step, 0.0845994 hours remaining, 237.843750 MB of memory in use. ENERGY: 4905400 3926.6381 20642.5157 14410.2042 228.7675 -203810.3458 2902.2178 0.0000 0.0000 51788.5221 -109911.4804 297.6293 -161700.0025 -109554.6690 298.6193 516.6741 541.3527 759858.7759 23.7841 23.6450 PRESSURE: 4905600 -143.764 -150.304 -27.8634 -150.304 -134.505 -237.208 -27.8641 -237.207 -500.579 GPRESSURE: 4905600 -139.431 -130.171 37.3722 -91.0036 -105.031 -150.304 57.0336 -218.896 -461.021 PRESSAVG: 4905600 17.7408 -1.87876 30.9556 -1.87878 -13.8765 -30.6475 30.9555 -30.6475 12.2876 GPRESSAVG: 4905600 16.0141 -2.98036 31.3527 -2.11278 -14.2285 -31.8314 27.1516 -28.8069 14.9165 TIMING: 4905600 CPU: 15594.2, 0.00327147/step Wall: 15594.2, 0.00327148/step, 0.0857853 hours remaining, 237.843750 MB of memory in use. ENERGY: 4905600 4012.8128 20391.4509 14410.1427 242.5254 -203789.8064 2663.0675 0.0000 0.0000 52092.0664 -109977.7406 299.3738 -162069.8070 -109627.2752 298.3735 -259.6161 -235.1608 761189.2714 5.3840 5.5674 PRESSURE: 4905800 44.6492 180.67 -123.743 180.67 137.765 197.031 -123.742 197.03 256.858 GPRESSURE: 4905800 183.456 194.473 -50.883 76.6934 164.423 315.105 -77.985 101.773 154.475 PRESSAVG: 4905800 -46.3856 -20.9322 5.27572 -20.9322 16.8102 -50.1882 5.27575 -50.1881 1.75519 GPRESSAVG: 4905800 -44.776 -20.787 6.4852 -19.3933 16.8594 -47.0168 5.96466 -51.2757 0.0806866 TIMING: 4905800 CPU: 15594.8, 0.00318582/step Wall: 15594.8, 0.00318582/step, 0.0833622 hours remaining, 237.843750 MB of memory in use. ENERGY: 4905800 3952.6973 20552.2946 14539.8844 247.2079 -203707.7155 2755.3548 0.0000 0.0000 51883.2505 -109777.0260 298.1738 -161660.2765 -109400.7354 299.0368 146.4243 167.4511 761040.2167 -9.2734 -9.2786 PRESSURE: 4906000 -270.341 -199.566 -82.96 -199.567 -74.2476 -0.520691 -82.9588 -0.52116 -219.672 GPRESSURE: 4906000 -288.005 -134.795 -92.9175 -247.827 -6.47815 -16.3387 -60.8885 178.725 -195.224 PRESSAVG: 4906000 -3.11981 -24.1299 62.8251 -24.1299 1.00368 7.18125 62.8251 7.18127 11.7727 GPRESSAVG: 4906000 -4.71438 -24.5129 62.245 -26.1814 1.86819 4.69397 61.789 8.1381 12.9569 TIMING: 4906000 CPU: 15595.5, 0.0031909/step Wall: 15595.5, 0.0031909/step, 0.083318 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4906000 4088.2133 20507.1742 14510.5605 259.6604 -203191.0692 2619.6807 0.0000 0.0000 51679.4946 -109526.2855 297.0028 -161205.7801 -109168.8282 299.1110 -188.0868 -163.2358 761930.3225 3.2189 3.3702 PRESSURE: 4906200 -222.114 24.4874 -121.562 24.4861 4.05085 41.4604 -121.561 41.4606 -404.629 GPRESSURE: 4906200 -167.623 69.7388 -140.629 52.5029 25.318 161.616 -170.913 62.166 -378.629 PRESSAVG: 4906200 -26.0142 16.391 18.4448 16.391 28.2887 -56.6015 18.4448 -56.6016 -3.7767 GPRESSAVG: 4906200 -25.0459 16.4206 17.7614 18.3219 27.2886 -55.6933 19.9106 -58.0958 -3.68582 TIMING: 4906200 CPU: 15596.1, 0.00320143/step Wall: 15596.1, 0.00320143/step, 0.0834149 hours remaining, 237.843750 MB of memory in use. ENERGY: 4906200 4008.3878 20607.6558 14393.3840 224.1507 -203724.3110 2737.4654 0.0000 0.0000 52384.9094 -109368.3578 301.0568 -161753.2672 -109006.6868 299.5227 -207.5641 -173.6446 760690.0166 -0.5007 -0.4811 PRESSURE: 4906400 252.366 11.6701 125.01 11.6692 125.275 -13.4124 125.01 -13.41 46.4593 GPRESSURE: 4906400 297.879 41.9595 48.5191 -57.9785 131.613 -1.35171 208.976 -22.1273 74.0262 PRESSAVG: 4906400 0.0504519 -30.076 -23.4158 -30.0759 -13.8826 -6.22412 -23.4158 -6.22402 10.9402 GPRESSAVG: 4906400 0.843904 -28.0552 -25.0498 -31.4084 -13.5575 -6.8021 -23.2978 -4.09716 10.2253 TIMING: 4906400 CPU: 15596.7, 0.00321369/step Wall: 15596.7, 0.00321369/step, 0.0835558 hours remaining, 237.843750 MB of memory in use. ENERGY: 4906400 4007.5897 20638.1249 14366.9901 243.6024 -203277.1893 2464.8759 0.0000 0.0000 52439.3297 -109116.6766 301.3695 -161556.0064 -108741.7577 300.3814 141.3665 167.8393 759932.5731 -0.9640 -0.8294 PRESSURE: 4906600 -18.0856 -142.973 20.5084 -142.974 249.052 -19.4626 20.5089 -19.4619 -285.585 GPRESSURE: 4906600 98.3267 -145.809 -21.0062 -152.208 143.772 -156.77 143.062 78.0423 -206.412 PRESSAVG: 4906600 -16.0881 -4.59346 41.8537 -4.59348 30.1502 37.6825 41.8537 37.6825 11.0924 GPRESSAVG: 4906600 -15.8287 -5.74048 42.7366 -4.07643 30.3992 37.4285 42.8653 37.8861 10.7809 TIMING: 4906600 CPU: 15597.4, 0.00319682/step Wall: 15597.4, 0.00319682/step, 0.0829397 hours remaining, 237.843750 MB of memory in use. ENERGY: 4906600 4075.3557 20434.8194 14478.5022 220.2513 -203570.0703 2874.4879 0.0000 0.0000 52210.2994 -109276.3545 300.0533 -161486.6539 -108909.0122 300.4892 -18.2059 11.8956 763234.6672 8.3849 8.4505 PRESSURE: 4906800 -208.067 50.962 -152.484 50.9621 -8.83963 -37.5734 -152.484 -37.5734 2.59252 GPRESSURE: 4906800 -169.434 55.2034 -110.912 96.3439 2.19773 -9.15157 -88.6949 -53.9255 22.968 PRESSAVG: 4906800 -18.8741 31.8065 24.8574 31.8066 22.8867 -13.6946 24.8574 -13.6945 -3.98955 GPRESSAVG: 4906800 -18.9896 33.1776 26.1719 31.8569 21.8915 -11.7256 23.1619 -15.1018 -3.04587 TIMING: 4906800 CPU: 15598, 0.00320303/step Wall: 15598, 0.00320303/step, 0.0829228 hours remaining, 237.843750 MB of memory in use. ENERGY: 4906800 4029.5952 20619.3440 14495.6311 246.5358 -203541.1209 2687.4552 0.0000 0.0000 52161.7950 -109300.7646 299.7746 -161462.5596 -108939.1827 299.5104 -71.4381 -48.0893 761397.2923 0.0077 -0.0480 PRESSURE: 4907000 377.091 -56.6583 173.408 -56.6578 -60.0857 -6.34713 173.407 -6.34572 308.266 GPRESSURE: 4907000 282.069 -190.181 168.948 -107.364 31.0027 -24.0725 239.401 57.7793 376.208 PRESSAVG: 4907000 -8.24543 -19.8991 40.4424 -19.8991 5.88909 -2.45928 40.4425 -2.45934 12.4244 GPRESSAVG: 4907000 -8.83892 -20.7595 39.2307 -20.1139 7.53171 -4.81808 40.741 -1.92926 11.9552 TIMING: 4907000 CPU: 15598.7, 0.00320778/step Wall: 15598.7, 0.00320778/step, 0.0828676 hours remaining, 237.843750 MB of memory in use. ENERGY: 4907000 3989.9759 20553.9715 14543.2204 267.1761 -203543.5472 2635.4111 0.0000 0.0000 52161.2056 -109392.5866 299.7712 -161553.7922 -109035.1870 299.7665 208.4241 229.7602 761431.4719 3.3560 3.5493 PRESSURE: 4907200 -251.26 72.9544 -259.449 72.9542 -79.7371 -190.38 -259.449 -190.38 -33.5523 GPRESSURE: 4907200 -196.525 -153.562 -241.996 51.7558 -40.6842 -127.581 -149.628 -211.017 -20.3201 PRESSAVG: 4907200 -4.86785 -37.9124 -7.33694 -37.9124 10.9462 5.92008 -7.33695 5.92007 -14.4744 GPRESSAVG: 4907200 -4.68432 -39.8456 -6.5131 -39.0685 11.382 4.40114 -5.40748 6.86875 -14.6662 TIMING: 4907200 CPU: 15599.3, 0.00320774/step Wall: 15599.3, 0.00320774/step, 0.0826883 hours remaining, 237.843750 MB of memory in use. ENERGY: 4907200 4097.0776 20590.8604 14472.1188 246.2963 -203534.8920 2502.9613 0.0000 0.0000 52207.1974 -109418.3802 300.0355 -161625.5776 -109057.7494 299.6541 -121.5164 -85.8430 759497.3236 -2.7987 -2.6562 PRESSURE: 4907400 108.258 101.785 118.634 101.785 -299.309 245.595 118.634 245.594 -300.512 GPRESSURE: 4907400 199.522 135.713 140.986 32.7663 -317.443 281.645 64.5526 146.089 -286.388 PRESSAVG: 4907400 37.4178 -2.1193 29.1837 -2.11932 11.0836 41.9366 29.1837 41.9366 -29.3488 GPRESSAVG: 4907400 37.6045 -1.39715 29.6966 -0.780961 10.2998 42.8102 27.0939 42.4149 -27.9264 TIMING: 4907400 CPU: 15599.9, 0.00320631/step Wall: 15599.9, 0.00320631/step, 0.0824735 hours remaining, 237.843750 MB of memory in use. ENERGY: 4907400 4040.8850 20490.5215 14447.2310 254.7707 -203089.2110 2285.5344 0.0000 0.0000 52017.0406 -109553.2278 298.9426 -161570.2685 -109176.7745 299.5528 -163.8546 -134.7695 761551.4316 6.3842 6.6593 PRESSURE: 4907600 -212.989 110.226 28.3724 110.226 48.5116 62.1203 28.3717 62.1197 -189.423 GPRESSURE: 4907600 -186.492 84.1055 -10.7304 153.922 37.5172 54.3768 102.589 76.7888 -122.071 PRESSAVG: 4907600 43.9346 -27.533 -12.8476 -27.533 11.2278 10.1509 -12.8476 10.151 -12.1154 GPRESSAVG: 4907600 44.8595 -26.2837 -13.4091 -28.4413 10.9901 12.0337 -12.3377 7.7116 -12.6102 TIMING: 4907600 CPU: 15600.6, 0.00322219/step Wall: 15600.6, 0.00322219/step, 0.082703 hours remaining, 237.843750 MB of memory in use. ENERGY: 4907600 3979.0043 20571.4825 14470.1505 243.9402 -203735.5047 2587.3857 0.0000 0.0000 52161.7417 -109721.7997 299.7742 -161883.5414 -109357.5879 299.0758 -117.9668 -90.3486 759904.5769 14.3490 14.4131 PRESSURE: 4907800 295.289 -176.865 86.644 -176.865 127.469 44.2161 86.6444 44.2165 116.07 GPRESSURE: 4907800 314.734 -278.844 99.3559 -82.3032 139.894 28.7741 149.354 79.9507 154.143 PRESSAVG: 4907800 49.9366 -15.1112 25.547 -15.1112 -32.9087 -40.0757 25.547 -40.0756 -1.09397 GPRESSAVG: 4907800 50.095 -16.4784 25.8976 -12.1831 -32.1542 -40.2863 24.8933 -37.5509 -2.02198 TIMING: 4907800 CPU: 15601.2, 0.00321083/step Wall: 15601.2, 0.00321083/step, 0.0822329 hours remaining, 237.843750 MB of memory in use. ENERGY: 4907800 4029.0842 20552.0847 14459.0575 252.5331 -204059.8997 3064.6506 0.0000 0.0000 51895.1395 -109807.3500 298.2421 -161702.4896 -109447.1847 299.0349 179.6095 202.9240 759762.1195 5.3113 5.3063 PRESSURE: 4908000 -251.788 -253.06 131.447 -253.061 -101.576 -40.3501 131.447 -40.3497 -71.9861 GPRESSURE: 4908000 -195.811 -145.745 222.091 -377.024 -108.3 -102.117 76.6638 -1.85666 -18.2488 PRESSAVG: 4908000 -12.9016 -10.7719 6.7366 -10.7719 -10.8307 -33.4442 6.73662 -33.4441 18.1977 GPRESSAVG: 4908000 -13.3344 -11.7942 7.48412 -12.8963 -11.7761 -33.5766 7.05833 -34.9858 19.6793 TIMING: 4908000 CPU: 15601.9, 0.00319869/step Wall: 15601.9, 0.00319869/step, 0.0817443 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4908000 4010.3952 20673.4777 14415.7822 260.2418 -204044.2037 2960.7829 0.0000 0.0000 52041.4641 -109682.0597 299.0830 -161723.5238 -109325.9439 299.4109 -141.7835 -107.4532 760309.3919 -1.8448 -1.8104 PRESSURE: 4908200 -288.48 -36.2814 118.077 -36.2811 83.4545 249.766 118.077 249.766 1.53627 GPRESSURE: 4908200 -178.198 -30.4981 104.565 -36.31 66.5528 287.613 -49.9977 112.34 -4.1574 PRESSAVG: 4908200 -12.7778 -27.2521 21.7428 -27.2521 26.0078 16.1535 21.7428 16.1536 -5.72529 GPRESSAVG: 4908200 -11.4876 -26.1864 22.1612 -26.2574 24.7286 16.0763 20.4395 14.8178 -5.7386 TIMING: 4908200 CPU: 15602.5, 0.00320698/step Wall: 15602.5, 0.00320698/step, 0.0817781 hours remaining, 237.843750 MB of memory in use. ENERGY: 4908200 3986.0282 20723.3427 14455.3981 239.7931 -203472.4742 2523.2910 0.0000 0.0000 51810.2431 -109734.3780 297.7542 -161544.6210 -109377.4057 298.8023 -67.8298 -38.6007 759739.9707 2.5016 2.5008 LDB: ============= START OF LOAD BALANCING ============== 15614.9 LDB: ============== END OF LOAD BALANCING =============== 15614.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15614.9 LDB: ============= START OF LOAD BALANCING ============== 15615.2 LDB: Largest compute 7024 load 0.034989 is 17.9% of average load 0.195957 LDB: Average compute 0.004402 is 2.2% of average load 0.195957 LDB: TIME 15615.2 LOAD: AVG 0.195957 MAX 0.219478 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 15615.2 LOAD: AVG 0.195957 MAX 0.219478 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: TIME 15615.2 LOAD: AVG 0.195957 MAX 0.219478 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.129 MB LDB: ============== END OF LOAD BALANCING =============== 15615.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15615.3 PRESSURE: 4908400 -101.791 -160.997 85.4117 -160.997 -229.191 189.704 85.4125 189.702 -382.592 GPRESSURE: 4908400 -127.414 -168.546 105.938 -99.8586 -169.098 213.635 145.806 177.963 -338.596 PRESSAVG: 4908400 -57.4808 -17.5794 59.2713 -17.5794 44.3379 5.7752 59.2713 5.77502 6.44505 GPRESSAVG: 4908400 -60.6606 -17.6694 59.0852 -18.385 46.8197 6.25348 59.8219 5.18176 6.5465 TIMING: 4908400 CPU: 15603.2, 0.00327687/step Wall: 15603.2, 0.00327687/step, 0.0833782 hours remaining, 237.843750 MB of memory in use. ENERGY: 4908400 4016.1295 20587.6104 14383.1469 265.5186 -203540.1341 2555.1034 0.0000 0.0000 51968.7062 -109763.9190 298.6649 -161732.6252 -109408.9760 298.8774 -237.8580 -211.7026 761690.0101 -2.2326 -2.4315 PRESSURE: 4908600 2.33986 -90.4399 48.4364 -90.4397 -104.751 48.8644 48.4356 48.8649 74.5553 GPRESSURE: 4908600 -17.4343 57.7211 33.1056 -129.723 -42.9603 -26.1438 0.446293 44.1558 133.314 PRESSAVG: 4908600 -21.836 -17.7366 12.0007 -17.7366 -24.8874 -13.7595 12.0008 -13.7595 3.79142 GPRESSAVG: 4908600 -19.9798 -16.8577 11.7381 -19.0424 -26.2495 -15.2789 14.1747 -11.9387 3.83942 TIMING: 4908600 CPU: 15603.8, 0.00320386/step Wall: 15603.8, 0.00320386/step, 0.0813425 hours remaining, 237.843750 MB of memory in use. ENERGY: 4908600 4033.8101 20496.3802 14400.0996 243.6080 -203472.5557 2591.4099 0.0000 0.0000 52055.5208 -109651.7270 299.1638 -161707.2478 -109296.2809 298.3994 -9.2852 24.3064 760642.0618 -14.3106 -14.1300 PRESSURE: 4908800 69.7755 -103.686 82.9198 -103.686 -175.771 -270.062 82.9199 -270.061 -131.815 GPRESSURE: 4908800 156.454 -176.318 107.739 -10.309 -161.39 -252.606 84.487 -233.741 -144.074 PRESSAVG: 4908800 17.5997 -39.2022 0.343781 -39.2021 -39.5236 6.60077 0.343781 6.60081 -7.78576 GPRESSAVG: 4908800 18.4541 -40.8817 0.136649 -37.4395 -39.7678 7.34428 -1.41126 6.03471 -8.58738 TIMING: 4908800 CPU: 15604.5, 0.00319636/step Wall: 15604.5, 0.00319636/step, 0.0809746 hours remaining, 237.843750 MB of memory in use. ENERGY: 4908800 3919.6005 20508.9766 14377.3680 248.6100 -203423.1694 2492.7042 0.0000 0.0000 52150.1972 -109725.7128 299.7079 -161875.9100 -109362.9000 298.8693 -79.2701 -49.6699 761174.2903 -9.9032 -9.9670 PRESSURE: 4909000 3.87551 -122.013 60.3108 -122.013 -61.657 256.385 60.3113 256.386 -136.633 GPRESSURE: 4909000 80.0202 -14.7106 45.7094 9.97361 -20.2117 212.149 165.359 278.041 -168.842 PRESSAVG: 4909000 30.3249 -45.773 12.5621 -45.7731 -27.2574 -20.0056 12.5621 -20.0057 33.5436 GPRESSAVG: 4909000 30.1684 -44.3968 11.4712 -45.5842 -27.1703 -19.9054 12.0445 -19.088 33.4124 TIMING: 4909000 CPU: 15605.1, 0.00321092/step Wall: 15605.1, 0.00321092/step, 0.0811649 hours remaining, 237.843750 MB of memory in use. ENERGY: 4909000 3948.8260 20508.2649 14372.0381 234.6505 -203638.8304 2665.1296 0.0000 0.0000 52007.5216 -109902.3997 298.8879 -161909.9213 -109539.6391 299.2437 -64.8048 -36.3445 760851.7043 12.2037 12.1368 PRESSURE: 4909200 14.6701 -151.474 5.6607 -151.473 -140.43 299.795 5.66103 299.795 393.956 GPRESSURE: 4909200 -27.8637 -97.0052 -53.6885 -216.356 -53.7449 317.268 -38.7756 150.533 447.368 PRESSAVG: 4909200 14.8207 -6.02778 27.0223 -6.02777 -41.3693 37.4005 27.0223 37.4006 -14.1543 GPRESSAVG: 4909200 13.658 -6.13725 27.485 -6.3797 -40.9034 36.4549 27.4843 39.0943 -13.7428 TIMING: 4909200 CPU: 15605.7, 0.00321823/step Wall: 15605.7, 0.00321823/step, 0.0811708 hours remaining, 237.843750 MB of memory in use. ENERGY: 4909200 3915.6927 20435.9630 14435.0121 241.6240 -203464.9412 2681.2815 0.0000 0.0000 51759.1670 -109996.2009 297.4606 -161755.3679 -109638.7329 298.5394 89.3988 121.9198 761155.2222 -13.5676 -13.6627 PRESSURE: 4909400 200.693 -124.205 -44.4354 -124.205 48.8855 -4.24221 -44.4354 -4.24197 567.78 GPRESSURE: 4909400 221.98 -160.995 -10.756 -57.4955 142.991 39.1244 -29.6881 -37.6473 553.07 PRESSAVG: 4909400 6.00136 11.1898 29.1628 11.1898 -1.49618 -21.9893 29.1627 -21.9893 21.4247 GPRESSAVG: 4909400 6.72288 9.48574 28.8486 11.0394 -1.15201 -21.0576 31.2263 -23.1403 20.6625 TIMING: 4909400 CPU: 15606.4, 0.00320198/step Wall: 15606.4, 0.00320198/step, 0.0805832 hours remaining, 237.843750 MB of memory in use. ENERGY: 4909400 3909.5358 20463.0188 14444.9924 263.5314 -203521.9266 2785.0558 0.0000 0.0000 51908.7794 -109747.0131 298.3205 -161655.7925 -109387.8076 298.5984 272.4529 306.0137 761449.1800 8.6433 8.7445 PRESSURE: 4909600 -174.997 -35.6172 -34.8555 -35.6174 135.314 170.435 -34.8558 170.435 163.748 GPRESSURE: 4909600 -83.5239 -34.9147 -28.8995 -2.10519 37.3706 146.016 -55.4911 118.532 268.537 PRESSAVG: 4909600 26.0935 -6.92331 14.8065 -6.92327 20.8522 13.0047 14.8065 13.0047 1.18947 GPRESSAVG: 4909600 26.0366 -3.20715 15.7004 -6.87927 20.3685 13.679 11.7557 11.9734 1.09059 TIMING: 4909600 CPU: 15607, 0.00320856/step Wall: 15607, 0.00320857/step, 0.0805706 hours remaining, 237.843750 MB of memory in use. ENERGY: 4909600 3959.8935 20469.3448 14464.6648 247.8196 -203325.8379 2460.3320 0.0000 0.0000 51948.2498 -109775.5335 298.5473 -161723.7833 -109408.4889 299.4083 41.3551 74.1278 760513.9921 16.0451 15.8319 PRESSURE: 4909800 -235.826 49.6999 125.753 49.7 189.061 -45.243 125.753 -45.2431 -236.364 GPRESSURE: 4909800 -274.139 -60.3584 115.453 28.0618 285.679 -11.4073 151.652 -59.9531 -217.669 PRESSAVG: 4909800 -3.88466 -57.5123 39.8202 -57.5124 -16.182 16.9903 39.8201 16.9904 20.7199 GPRESSAVG: 4909800 -4.90424 -62.4581 39.1701 -56.0404 -16.52 16.3831 41.8091 17.2134 21.8886 TIMING: 4909800 CPU: 15607.7, 0.00318252/step Wall: 15607.7, 0.00318252/step, 0.0797397 hours remaining, 237.843750 MB of memory in use. ENERGY: 4909800 3917.2931 20483.0113 14598.1051 251.7963 -203396.4841 2323.3495 0.0000 0.0000 52062.0019 -109760.9268 299.2010 -161822.9287 -109398.6354 298.3992 -94.3762 -68.7094 759989.1658 0.2178 0.1548 PRESSURE: 4910000 -283.377 -42.9912 -77.0548 -42.9921 -365.714 -52.4996 -77.0547 -52.4991 -23.6167 GPRESSURE: 4910000 -196.282 -124.975 -139.201 -149.276 -368.302 -28.2554 -10.5985 -270.771 -13.0908 PRESSAVG: 4910000 -16.2316 -54.82 -0.865546 -54.82 4.52151 34.4572 -0.865497 34.4572 -11.467 GPRESSAVG: 4910000 -14.0637 -52.4024 -2.12989 -58.5202 3.79288 34.8893 -1.93738 34.6407 -12.0234 TIMING: 4910000 CPU: 15608.3, 0.00321079/step Wall: 15608.3, 0.00321079/step, 0.0802697 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4910000 4039.0339 20473.8258 14467.9953 253.9952 -203208.5067 2278.8061 0.0000 0.0000 52064.3447 -109630.5056 299.2145 -161694.8503 -109269.2623 298.8314 -224.2358 -192.5581 758742.0703 -7.7257 -7.4314 PRESSURE: 4910200 -423.267 -30.78 -134.661 -30.7799 126.538 110.007 -134.662 110.007 68.0107 GPRESSURE: 4910200 -411.503 -42.8015 -193.834 7.89552 134.153 126.125 -187.843 -12.5502 112.052 PRESSAVG: 4910200 -8.3088 -57.9182 23.0037 -57.9182 32.4898 62.4428 23.0037 62.4427 7.38235 GPRESSAVG: 4910200 -10.0956 -57.7876 22.4327 -55.2475 34.6395 62.7125 24.1016 61.891 7.1984 TIMING: 4910200 CPU: 15608.9, 0.00322097/step Wall: 15608.9, 0.00322097/step, 0.0803452 hours remaining, 237.843750 MB of memory in use. ENERGY: 4910200 4002.7857 20610.4846 14483.9007 247.4106 -203467.2847 2406.4012 0.0000 0.0000 52056.9565 -109659.3455 299.1720 -161716.3020 -109295.7456 299.2202 -76.2393 -55.0994 760412.9259 10.5211 10.5808 PRESSURE: 4910400 94.2161 -31.2641 294.696 -31.2653 312.692 -219.305 294.696 -219.306 246.814 GPRESSURE: 4910400 174.937 16.1433 266.234 -15.3999 290.368 -277.698 258.969 -220.698 251.92 PRESSAVG: 4910400 -9.18448 -23.7185 33.5423 -23.7186 -12.5575 -4.67547 33.5423 -4.67544 -21.4953 GPRESSAVG: 4910400 -9.21868 -23.3814 35.9366 -24.0239 -13.0553 -3.29315 35.0224 -5.03088 -21.505 TIMING: 4910400 CPU: 15609.6, 0.00321447/step Wall: 15609.6, 0.00321447/step, 0.0800047 hours remaining, 237.843750 MB of memory in use. ENERGY: 4910400 3963.0062 20580.5451 14595.7214 276.0226 -203581.2846 2627.5809 0.0000 0.0000 51951.7027 -109586.7057 298.5671 -161538.4084 -109227.3643 299.0936 217.9072 239.0750 759673.0242 -14.4124 -14.5930 PRESSURE: 4910600 -133.445 -242.225 -30.737 -242.224 -319.516 -141.863 -30.7377 -141.864 -11.2682 GPRESSURE: 4910600 17.0812 -274.317 -70.0554 -262.872 -325.413 -242.036 -253.253 -72.31 -42.9639 PRESSAVG: 4910600 1.10135 -22.9761 22.1742 -22.9761 15.901 -38.632 22.1742 -38.632 15.5572 GPRESSAVG: 4910600 1.51403 -25.5051 20.3881 -23.0886 16.3648 -41.1738 21.0284 -35.7507 14.4724 TIMING: 4910600 CPU: 15610.2, 0.00322449/step Wall: 15610.2, 0.00322449/step, 0.0800748 hours remaining, 237.843750 MB of memory in use. ENERGY: 4910600 3939.8922 20622.1990 14457.6982 252.3843 -202960.8072 2146.9361 0.0000 0.0000 52009.6559 -109532.0415 298.9002 -161541.6974 -109177.7630 299.4997 -154.7431 -117.0986 761157.5782 10.8532 10.7837 PRESSURE: 4910800 -208.263 42.3345 74.3212 42.3353 143.857 -107.338 74.3216 -107.338 -13.6834 GPRESSURE: 4910800 -158.971 -9.27737 75.413 29.3067 198.665 -64.0264 189.134 -146.186 -25.409 PRESSAVG: 4910800 -17.7903 -5.43956 6.43852 -5.43954 20.018 -2.91695 6.43857 -2.91697 -6.70383 GPRESSAVG: 4910800 -18.2149 -2.75339 8.98025 -6.20771 19.1902 -2.38185 5.61884 -5.10603 -5.87034 TIMING: 4910800 CPU: 15610.9, 0.00321714/step Wall: 15610.9, 0.00321714/step, 0.0797137 hours remaining, 237.843750 MB of memory in use. ENERGY: 4910800 3995.7525 20604.6244 14493.5705 245.9941 -203061.1573 2301.3186 0.0000 0.0000 52037.6198 -109382.2774 299.0609 -161419.8972 -109015.7137 299.1717 -26.0296 4.7617 761182.8322 -1.4921 -1.6317 PRESSURE: 4911000 -93.5482 176.476 293.829 176.476 -120.796 149.595 293.83 149.597 90.5548 GPRESSURE: 4911000 -55.6356 56.7711 228.668 160.126 -14.6796 100.774 336.185 99.8648 40.542 PRESSAVG: 4911000 53.1986 6.89563 -6.19781 6.8956 -53.7651 3.56148 -6.19774 3.56152 -4.5242 GPRESSAVG: 4911000 52.8548 5.18682 -6.7032 9.0195 -54.0162 3.39731 -7.91648 4.05207 -4.05141 TIMING: 4911000 CPU: 15611.5, 0.00320332/step Wall: 15611.5, 0.00320332/step, 0.0791931 hours remaining, 237.843750 MB of memory in use. ENERGY: 4911000 4015.5039 20408.6302 14449.2930 243.7563 -203448.5493 2610.8491 0.0000 0.0000 52521.3505 -109199.1663 301.8409 -161720.5168 -108835.4484 299.9550 -41.2632 -9.9244 759320.5412 -1.6969 -1.7376 PRESSURE: 4911200 26.8555 123.499 169.331 123.499 461.853 92.5641 169.331 92.5653 29.9767 GPRESSURE: 4911200 6.47162 76.1019 183.867 128.295 483.816 45.6936 57.8439 163.518 100.044 PRESSAVG: 4911200 -36.1924 -29.1385 22.8635 -29.1384 23.9979 46.4606 22.8636 46.4606 21.4855 GPRESSAVG: 4911200 -34.9275 -27.2805 21.4052 -30.6289 24.4051 46.5332 25.1071 46.0405 20.2253 TIMING: 4911200 CPU: 15612.2, 0.00320567/step Wall: 15612.2, 0.00320567/step, 0.0790732 hours remaining, 237.843750 MB of memory in use. ENERGY: 4911200 4003.2877 20545.1963 14480.9205 246.9852 -203411.7384 2659.8032 0.0000 0.0000 52211.3829 -109264.1626 300.0595 -161475.5456 -108909.6999 300.1011 172.8950 196.7773 761526.8233 3.0970 3.2343 PRESSURE: 4911400 166.333 -118.301 -56.5643 -118.301 138.278 214.16 -56.5643 214.159 9.95374 GPRESSURE: 4911400 216.142 -49.9319 -131.651 -160.911 176.634 193.776 2.87049 -6.52502 0.387155 PRESSAVG: 4911400 -16.0618 40.5217 53.8238 40.5216 38.4693 30.8182 53.8238 30.8181 9.33085 GPRESSAVG: 4911400 -16.4022 42.4042 52.8847 37.8669 37.4512 31.1719 54.2585 29.3099 10.2717 TIMING: 4911400 CPU: 15612.8, 0.00320592/step Wall: 15612.8, 0.00320592/step, 0.0789011 hours remaining, 237.843750 MB of memory in use. ENERGY: 4911400 3947.2596 20451.5857 14503.4841 242.5481 -203021.2516 2317.2768 0.0000 0.0000 52281.3928 -109277.7046 300.4619 -161559.0974 -108910.1571 299.3135 104.8548 131.0542 760937.9438 10.5795 10.4402 PRESSURE: 4911600 -114.559 44.9593 124.608 44.9589 27.8698 -101.48 124.608 -101.479 47.0303 GPRESSURE: 4911600 -81.4982 49.4747 176.97 162.038 78.1133 -139.03 30.8035 -76.9392 56.7221 PRESSAVG: 4911600 -33.921 2.54481 76.5698 2.5448 26.3788 -12.6544 76.5698 -12.6543 -18.1316 GPRESSAVG: 4911600 -35.8021 -0.736956 78.9883 3.00033 27.5988 -13.5347 75.0957 -11.0544 -17.5882 TIMING: 4911600 CPU: 15613.4, 0.0032244/step Wall: 15613.4, 0.0032244/step, 0.079177 hours remaining, 237.843750 MB of memory in use. ENERGY: 4911600 3970.0376 20591.2598 14477.0446 249.7294 -203278.6440 2520.0513 0.0000 0.0000 52216.4468 -109254.0745 300.0886 -161470.5213 -108881.8983 299.7909 -13.2196 17.7791 760353.3527 -8.5579 -8.5972 PRESSURE: 4911800 115.263 -189.16 182.19 -189.16 -290.28 -222.982 182.19 -222.983 81.8733 GPRESSURE: 4911800 84.7154 -133.01 154.974 -204.858 -168.696 -195.311 58.6886 -85.8703 74.0737 PRESSAVG: 4911800 -5.59324 17.2631 14.342 17.2631 7.39959 -35.2771 14.3421 -35.2771 3.56541 GPRESSAVG: 4911800 -4.38217 17.1359 12.2441 19.6366 7.40041 -35.4738 12.9579 -33.6583 2.60608 TIMING: 4911800 CPU: 15614.1, 0.00322266/step Wall: 15614.1, 0.00322266/step, 0.0789551 hours remaining, 237.843750 MB of memory in use. ENERGY: 4911800 3934.4193 20388.5162 14560.9399 238.7568 -203334.2446 2573.9182 0.0000 0.0000 52248.8892 -109388.8050 300.2751 -161637.6942 -109016.5845 299.7039 -31.0480 -3.3023 760713.2108 1.7906 1.8748 PRESSURE: 4912000 -39.6315 33.8032 -4.09462 33.8035 -257.341 83.1218 -4.09374 83.1217 -432.575 GPRESSURE: 4912000 -24.3106 20.7675 -3.68372 37.822 -218.359 118.447 -53.7985 178.398 -397.615 PRESSAVG: 4912000 -33.6712 -17.9644 -6.01035 -17.9643 33.1735 -48.4636 -6.01039 -48.4635 -40.524 GPRESSAVG: 4912000 -34.2208 -16.4679 -4.70531 -18.7635 33.549 -47.9805 -5.02095 -48.6829 -40.5322 TIMING: 4912000 CPU: 15614.7, 0.00323751/step Wall: 15614.7, 0.00323751/step, 0.0791392 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4912000 3941.9479 20491.6348 14496.1753 220.0186 -203039.3313 2553.0942 0.0000 0.0000 52156.1932 -109180.2673 299.7424 -161336.4606 -108819.8887 299.2623 -243.1824 -213.4279 760993.6208 -13.6739 -13.7347 PRESSURE: 4912200 73.9266 -63.6803 -124.403 -63.6802 215.475 193.009 -124.402 193.01 227.559 GPRESSURE: 4912200 216.597 -23.3226 -225.663 13.6536 183.49 220.589 -120.665 242.748 215.565 PRESSAVG: 4912200 -0.974891 51.6404 8.10054 51.6403 -2.21321 5.07925 8.10055 5.07927 36.3552 GPRESSAVG: 4912200 -0.180768 51.1136 5.48136 50.7833 -4.20867 6.46819 7.8615 4.05306 37.5776 TIMING: 4912200 CPU: 15615.4, 0.00321883/step Wall: 15615.4, 0.00321883/step, 0.0785037 hours remaining, 237.843750 MB of memory in use. ENERGY: 4912200 3996.8319 20484.6659 14425.5778 225.8787 -203372.7308 2675.9486 0.0000 0.0000 52231.1793 -109332.6486 300.1733 -161563.8279 -108969.2351 299.8154 172.3203 205.2174 761700.9527 11.0557 11.0627 LDB: ============= START OF LOAD BALANCING ============== 15627.8 LDB: ============== END OF LOAD BALANCING =============== 15627.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15627.8 LDB: ============= START OF LOAD BALANCING ============== 15628.1 LDB: Largest compute 7047 load 0.033315 is 17.0% of average load 0.195988 LDB: Average compute 0.004428 is 2.3% of average load 0.195988 LDB: TIME 15628.1 LOAD: AVG 0.195988 MAX 0.218256 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 15628.1 LOAD: AVG 0.195988 MAX 0.218256 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 15628.1 LOAD: AVG 0.195988 MAX 0.218256 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 15628.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15628.1 PRESSURE: 4912400 246.54 -103.006 145.782 -103.007 399.783 -97.4788 145.782 -97.4788 -222.424 GPRESSURE: 4912400 228.193 -44.7766 201.78 -116.743 436.917 -168.003 94.8351 -104.056 -149.405 PRESSAVG: 4912400 -36.109 -4.40953 -9.49751 -4.40958 -15.5062 -28.2474 -9.49749 -28.2474 -1.98656 GPRESSAVG: 4912400 -35.6841 -4.97588 -9.86449 -3.1888 -14.2284 -28.5628 -8.17211 -27.2457 -3.34983 TIMING: 4912400 CPU: 15616, 0.00325425/step Wall: 15616, 0.00325426/step, 0.0791869 hours remaining, 238.613281 MB of memory in use. ENERGY: 4912400 4021.5856 20676.0543 14380.1555 262.0684 -203244.2022 2631.4678 0.0000 0.0000 51976.2959 -109296.5747 298.7085 -161272.8706 -108940.8094 299.0064 141.2996 171.9016 762085.4401 -17.8673 -17.7541 PRESSURE: 4912600 -101.749 -236.775 17.4798 -236.775 -292.184 84.1901 17.4799 84.1904 -669.247 GPRESSURE: 4912600 -123.746 -193.992 77.5475 -223.597 -271.867 72.2694 86.3781 7.39097 -580.958 PRESSAVG: 4912600 46.298 3.51801 4.09747 3.51807 -23.4774 1.26377 4.09747 1.26378 -11.4703 GPRESSAVG: 4912600 46.2928 5.02685 5.36193 3.80847 -24.0459 0.312946 3.52975 0.0305189 -10.8278 TIMING: 4912600 CPU: 15616.7, 0.00321272/step Wall: 15616.7, 0.00321272/step, 0.0779976 hours remaining, 238.613281 MB of memory in use. ENERGY: 4912600 4043.2813 20565.3282 14423.7504 250.9465 -202878.9065 2135.4858 0.0000 0.0000 51955.0766 -109505.0377 298.5865 -161460.1143 -109142.0799 299.6387 -354.3931 -325.5237 761056.8661 3.7834 3.8064 PRESSURE: 4912800 84.3412 118.564 -50.4169 118.564 -285.114 57.3915 -50.4167 57.3909 -223.364 GPRESSURE: 4912800 64.0741 40.3244 -80.4252 74.1316 -225.552 56.5297 -52.7217 84.2684 -168.578 PRESSAVG: 4912800 -5.85547 30.4349 24.2669 30.4349 -32.8892 -30.7791 24.2669 -30.7791 13.5048 GPRESSAVG: 4912800 -6.27849 32.1156 25.7318 30.8083 -32.2586 -30.9531 25.2662 -30.3085 13.9169 TIMING: 4912800 CPU: 15617.3, 0.00322153/step Wall: 15617.3, 0.00322153/step, 0.0780325 hours remaining, 238.613281 MB of memory in use. ENERGY: 4912800 4004.3772 20500.7924 14435.6208 239.7951 -203182.9613 2560.4385 0.0000 0.0000 52064.9461 -109376.9912 299.2180 -161441.9372 -109010.2258 299.8645 -141.3788 -110.0185 760488.5207 -8.4133 -8.2067 PRESSURE: 4913000 -223.615 -128.211 192.803 -128.211 -17.3173 -218.53 192.804 -218.528 57.2492 GPRESSURE: 4913000 -264.042 -87.4584 73.5701 -139.234 28.7052 -244.28 127.851 -216.292 137.784 PRESSAVG: 4913000 -18.6591 -57.9487 -3.47618 -57.9487 -23.0672 45.3929 -3.47616 45.393 -11.0928 GPRESSAVG: 4913000 -18.9134 -58.6506 -5.92621 -57.8811 -23.6255 44.0399 -6.14637 46.9585 -10.8689 TIMING: 4913000 CPU: 15618, 0.00320627/step Wall: 15618, 0.00320627/step, 0.0774848 hours remaining, 238.613281 MB of memory in use. ENERGY: 4913000 4012.8572 20514.0785 14530.1811 241.2825 -203091.8625 2159.0805 0.0000 0.0000 52028.9861 -109605.3966 299.0113 -161634.3827 -109252.6554 299.2809 -61.2276 -32.5174 760766.1053 -17.6064 -17.8026 PRESSURE: 4913200 -148.708 -128.467 279.753 -128.466 -165.912 -76.545 279.754 -76.5443 -98.9773 GPRESSURE: 4913200 -103.674 -116.167 268.969 -155.884 -128.433 17.3559 112.392 -104.745 -101.142 PRESSAVG: 4913200 -35.0654 3.02191 17.5329 3.02182 43.5337 -0.512741 17.5329 -0.512632 -15.727 GPRESSAVG: 4913200 -36.7106 1.32257 18.253 2.9973 44.1519 1.58158 17.8676 -4.31819 -15.1585 TIMING: 4913200 CPU: 15618.6, 0.00320876/step Wall: 15618.6, 0.00320876/step, 0.0773668 hours remaining, 238.613281 MB of memory in use. ENERGY: 4913200 4013.2863 20501.8112 14468.0778 229.1503 -203456.5805 2451.8059 0.0000 0.0000 51962.6553 -109829.7937 298.6301 -161792.4490 -109465.5350 299.0180 -137.8657 -111.0830 759914.6482 -2.4196 -2.5724 PRESSURE: 4913400 217.02 -62.4773 141.176 -62.4771 87.2022 20.7177 141.175 20.718 -341.247 GPRESSURE: 4913400 318.227 13.8815 109.889 66.8841 64.8654 -17.4339 163.103 -30.7243 -341.198 PRESSAVG: 4913400 -3.58335 6.97621 -42.7182 6.97627 -3.50732 -16.1146 -42.7182 -16.1146 10.6605 GPRESSAVG: 4913400 -1.22075 6.20855 -42.5046 7.79509 -3.65569 -16.3693 -41.2984 -12.9417 8.69159 TIMING: 4913400 CPU: 15619.2, 0.00322098/step Wall: 15619.2, 0.00322098/step, 0.0774823 hours remaining, 238.613281 MB of memory in use. ENERGY: 4913400 4015.5698 20615.9401 14441.4423 263.0825 -204007.1662 2675.5899 0.0000 0.0000 52172.8173 -109822.7242 299.8379 -161995.5415 -109470.5104 298.6787 -12.3414 13.9648 760865.1672 1.1899 1.2717 PRESSURE: 4913600 -23.7196 175.77 -139.42 175.769 -205.65 -62.7872 -139.42 -62.7871 -215.145 GPRESSURE: 4913600 5.28674 208.622 -105.053 71.0468 -179.494 -51.7292 -339.388 19.216 -184.706 PRESSAVG: 4913600 13.9306 18.248 8.1915 18.2479 -7.87785 -7.40468 8.19144 -7.4047 -7.44851 GPRESSAVG: 4913600 12.9321 20.5678 8.40013 16.9544 -8.11872 -7.23535 7.52942 -8.7304 -5.72131 TIMING: 4913600 CPU: 15619.9, 0.00322027/step Wall: 15619.9, 0.00322027/step, 0.0772866 hours remaining, 238.613281 MB of memory in use. ENERGY: 4913600 4028.1396 20601.9442 14437.0095 259.1185 -203254.5051 2574.8792 0.0000 0.0000 51660.6975 -109692.7167 296.8947 -161353.4142 -109335.9707 298.7108 -148.1715 -119.6379 761168.3227 -0.4652 -0.3026 PRESSURE: 4913800 113.376 122.244 13.1894 122.244 -37.1609 -23.6041 13.1893 -23.6033 99.3206 GPRESSURE: 4913800 202.155 41.3348 59.7609 6.14026 -57.6264 -51.086 -34.8072 -118.185 146.972 PRESSAVG: 4913800 -29.4275 -35.9081 -16.427 -35.9081 10.9097 6.11668 -16.427 6.11667 -7.32856 GPRESSAVG: 4913800 -29.9089 -36.7481 -17.3104 -35.9748 11.7763 3.90794 -16.714 3.9853 -8.14628 TIMING: 4913800 CPU: 15620.5, 0.00321649/step Wall: 15620.5, 0.00321649/step, 0.0770172 hours remaining, 238.613281 MB of memory in use. ENERGY: 4913800 3990.7711 20577.2206 14394.6733 255.6169 -203513.2427 2830.3949 0.0000 0.0000 51957.1192 -109507.4467 298.5983 -161464.5658 -109150.5757 299.1252 58.5120 97.1668 761469.4607 -8.6154 -8.7596 PRESSURE: 4914000 123.611 40.652 167.499 40.6529 -64.2238 -274.936 167.498 -274.935 113.196 GPRESSURE: 4914000 82.8173 -19.2958 258.921 34.319 51.4827 -197.471 156.387 -221.333 131.009 PRESSAVG: 4914000 54.1211 -35.4753 -36.3628 -35.4753 -12.8034 -20.497 -36.3628 -20.4969 19.6906 GPRESSAVG: 4914000 54.2634 -37.0423 -35.1979 -34.5118 -13.3673 -17.8428 -35.8894 -19.6366 20.5896 TIMING: 4914000 CPU: 15621.2, 0.0032211/step Wall: 15621.2, 0.0032211/step, 0.0769485 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4914000 3935.7785 20292.0149 14532.9062 242.4171 -203520.2843 2785.3267 0.0000 0.0000 52085.5360 -109646.3049 299.3363 -161731.8409 -109270.8304 299.1234 57.5278 88.4365 761675.3521 20.3361 20.4952 PRESSURE: 4914200 26.8304 -200.943 107.63 -200.942 84.143 -89.5859 107.63 -89.5854 476.172 GPRESSURE: 4914200 71.9667 -181.17 88.8896 7.60836 104.809 -93.7007 -42.2293 -146.314 500.475 PRESSAVG: 4914200 0.450582 -41.1633 -13.999 -41.1633 -11.4596 -29.844 -13.999 -29.844 -18.9891 GPRESSAVG: 4914200 2.67062 -38.3846 -14.6114 -42.8596 -12.2207 -30.4527 -13.5335 -26.8933 -19.914 TIMING: 4914200 CPU: 15621.8, 0.00322991/step Wall: 15621.8, 0.00322991/step, 0.0769796 hours remaining, 238.613281 MB of memory in use. ENERGY: 4914200 4007.9772 20492.5515 14435.5778 244.0767 -203506.7131 2655.2544 0.0000 0.0000 51822.5214 -109848.7541 297.8247 -161671.2755 -109492.6882 298.7056 195.7151 225.7501 760333.4332 -9.9994 -9.8214 PRESSURE: 4914400 -38.0881 80.3925 58.2484 80.3923 -64.8068 -159.351 58.2481 -159.35 213.929 GPRESSURE: 4914400 -12.7283 47.7718 81.5188 35.8032 -5.99132 -48.064 41.2636 -183.104 216.905 PRESSAVG: 4914400 9.7788 -13.5461 -14.8274 -13.5461 -25.5942 -29.172 -14.8274 -29.172 -7.30969 GPRESSAVG: 4914400 8.92317 -13.8421 -14.0451 -12.7106 -24.0937 -28.9821 -15.5581 -31.8089 -8.44087 TIMING: 4914400 CPU: 15622.5, 0.00323216/step Wall: 15622.5, 0.00323216/step, 0.0768536 hours remaining, 238.613281 MB of memory in use. ENERGY: 4914400 3896.4431 20406.3012 14463.3349 250.0904 -203234.7562 2283.3995 0.0000 0.0000 52153.6724 -109781.5146 299.7279 -161935.1870 -109412.7883 298.2692 37.0114 66.0617 760636.9208 -7.7083 -7.8705 PRESSURE: 4914600 -155.476 -115.248 79.2291 -115.248 -261.375 324.241 79.2297 324.242 90.1078 GPRESSURE: 4914600 -237.043 -155.643 79.9783 -1.54469 -112.923 323.918 180.103 376.123 106.505 PRESSAVG: 4914600 30.6271 15.096 17.0704 15.096 -19.6888 -46.1026 17.0703 -46.1025 -4.28032 GPRESSAVG: 4914600 30.8368 14.4854 16.6491 15.2421 -21.6801 -45.2716 16.2444 -46.8352 -2.63706 TIMING: 4914600 CPU: 15623.1, 0.00322281/step Wall: 15623.1, 0.00322281/step, 0.0764523 hours remaining, 238.613281 MB of memory in use. ENERGY: 4914600 4044.1763 20500.4764 14436.6679 267.3088 -203942.0963 2795.6699 0.0000 0.0000 52138.3205 -109759.4766 299.6396 -161897.7971 -109393.5603 298.8197 -108.9144 -81.1538 759140.7066 2.2193 2.1732 PRESSURE: 4914800 358.777 37.4999 -70.0189 37.5006 60.7603 -74.8705 -70.0192 -74.8705 -74.5396 GPRESSURE: 4914800 385.412 96.3306 -5.92915 13.6659 121.063 -127.168 -123.98 -52.4836 -52.8931 PRESSAVG: 4914800 34.2779 -45.7391 -29.2721 -45.7391 -27.2244 -51.2334 -29.2721 -51.2334 -1.47505 GPRESSAVG: 4914800 33.2702 -44.9761 -27.983 -45.6736 -26.0464 -52.078 -28.3301 -50.181 -1.57326 TIMING: 4914800 CPU: 15623.8, 0.00323609/step Wall: 15623.8, 0.0032361/step, 0.0765876 hours remaining, 238.613281 MB of memory in use. ENERGY: 4914800 4009.6486 20647.5531 14460.5878 232.8716 -203557.7587 2613.8464 0.0000 0.0000 52088.2132 -109505.0380 299.3517 -161593.2511 -109144.5773 299.3680 114.9993 151.1938 759836.2322 1.8595 1.8835 PRESSURE: 4915000 -46.76 -33.5647 12.6694 -33.5644 -185.189 -84.5146 12.669 -84.515 -184.412 GPRESSURE: 4915000 -32.6504 -102.893 14.0316 -33.545 -167.427 -60.9205 46.8973 -105.692 -137.195 PRESSAVG: 4915000 -21.51 -27.1966 14.2542 -27.1966 0.522703 -34.7523 14.2542 -34.7523 -20.0829 GPRESSAVG: 4915000 -19.914 -27.1047 12.8109 -28.0753 -0.625519 -34.4185 14.1384 -35.7001 -21.0491 TIMING: 4915000 CPU: 15624.4, 0.0031961/step Wall: 15624.4, 0.0031961/step, 0.0754634 hours remaining, 238.613281 MB of memory in use. ENERGY: 4915000 4068.2654 20499.1199 14507.2170 231.1752 -203362.3841 2586.3852 0.0000 0.0000 51915.7985 -109554.4229 298.3608 -161470.2214 -109204.8806 299.1652 -138.7870 -112.4241 760886.0642 -13.6901 -13.8629 PRESSURE: 4915200 -29.7452 52.9813 -54.3581 52.9811 9.79024 -52.2463 -54.3576 -52.2461 -373.289 GPRESSURE: 4915200 -27.4216 49.5436 -97.1882 -24.9382 18.2848 -25.9594 5.0715 -65.168 -276.749 PRESSAVG: 4915200 48.6118 -60.5719 40.641 -60.5719 -16.6627 -30.988 40.641 -30.988 11.6701 GPRESSAVG: 4915200 48.8478 -58.8687 40.25 -61.7977 -16.7376 -31.9763 42.5749 -29.581 11.0395 TIMING: 4915200 CPU: 15625, 0.00320082/step Wall: 15625, 0.00320082/step, 0.075397 hours remaining, 238.613281 MB of memory in use. ENERGY: 4915200 4002.9377 20640.1422 14443.5315 238.6728 -203048.5677 2101.2643 0.0000 0.0000 51919.1145 -109702.9047 298.3799 -161622.0192 -109334.4439 299.4510 -131.0813 -95.2953 758532.9833 14.5397 14.3832 PRESSURE: 4915400 -250.475 -190.775 -130.952 -190.775 -179.141 -3.53787 -130.952 -3.53816 19.8355 GPRESSURE: 4915400 -238.079 -143.443 -116.413 -184.969 -94.8259 -62.5219 -120.212 -90.3777 -4.43307 PRESSAVG: 4915400 -3.79247 -55.8436 -14.6943 -55.8436 9.74052 -27.9114 -14.6943 -27.9114 -19.2961 GPRESSAVG: 4915400 -5.12187 -56.5174 -17.0812 -54.2434 9.63636 -28.0193 -15.2815 -27.8942 -17.9853 TIMING: 4915400 CPU: 15625.7, 0.00319306/step Wall: 15625.7, 0.00319306/step, 0.0750369 hours remaining, 238.613281 MB of memory in use. ENERGY: 4915400 3984.2524 20545.1064 14412.5639 250.7880 -203321.5573 2433.2647 0.0000 0.0000 52045.5713 -109650.0105 299.1066 -161695.5819 -109274.6695 299.1054 -136.5933 -112.4461 761025.4360 -4.4494 -4.4903 PRESSURE: 4915600 -477.476 68.3816 -158.998 68.3813 246.202 191.544 -158.999 191.545 23.9681 GPRESSURE: 4915600 -358.878 -12.6194 -129.178 54.0612 199.321 183.249 -231.539 97.1959 31.9123 PRESSAVG: 4915600 9.79591 -74.7286 -53.7786 -74.7286 -1.44793 -13.5236 -53.7786 -13.5236 6.74645 GPRESSAVG: 4915600 8.98343 -76.763 -51.0467 -73.8537 0.216332 -12.2361 -54.2639 -14.8597 5.22367 TIMING: 4915600 CPU: 15626.3, 0.00320643/step Wall: 15626.3, 0.00320643/step, 0.075173 hours remaining, 238.613281 MB of memory in use. ENERGY: 4915600 3946.6986 20737.0917 14433.0247 264.9200 -203616.3749 2577.6151 0.0000 0.0000 51947.7472 -109709.2776 298.5444 -161657.0248 -109347.6079 299.3117 -69.1020 -42.5481 760513.3881 5.0315 4.8078 PRESSURE: 4915800 92.5014 140.951 114.749 140.951 5.85453 -67.1494 114.749 -67.1493 -309.55 GPRESSURE: 4915800 116.863 69.7374 136.638 162.894 52.1659 -59.8581 102.566 -23.9654 -289.034 PRESSAVG: 4915800 23.5113 13.1795 2.62417 13.1795 6.21915 7.17059 2.62417 7.17052 -20.7262 GPRESSAVG: 4915800 23.2337 15.0718 1.62075 11.065 5.31026 5.75464 2.98219 6.78292 -19.4011 TIMING: 4915800 CPU: 15627, 0.00320005/step Wall: 15627, 0.00320005/step, 0.0748457 hours remaining, 238.613281 MB of memory in use. ENERGY: 4915800 4012.3997 20530.6889 14451.9138 259.0281 -203159.0595 2250.3451 0.0000 0.0000 52036.9629 -109617.7209 299.0571 -161654.6838 -109248.3511 298.9251 -70.3980 -40.0017 760686.8157 3.0014 3.0476 PRESSURE: 4916000 25.9504 -421.869 -132.399 -421.869 206.494 74.6154 -132.398 74.6152 -54.0284 GPRESSURE: 4916000 118.769 -420.835 -90.9779 -406.778 153.297 92.1285 -154.922 -62.7639 17.4914 PRESSAVG: 4916000 47.5149 -81.9278 -49.8613 -81.9278 -18.4215 -44.6372 -49.8614 -44.6372 -2.37494 GPRESSAVG: 4916000 48.1604 -84.1182 -48.9209 -81.2557 -19.6875 -43.0535 -50.5095 -44.2976 -1.60865 TIMING: 4916000 CPU: 15627.6, 0.00319049/step Wall: 15627.6, 0.00319049/step, 0.0744448 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4916000 3978.7293 20531.7722 14403.8931 252.6535 -203540.3322 2726.2558 0.0000 0.0000 52040.2079 -109606.8204 299.0758 -161647.0284 -109249.4498 298.6716 59.4720 96.5191 760286.2453 8.9061 8.9547 PRESSURE: 4916200 33.9857 -193.376 -135.778 -193.375 -259.545 -20.8162 -135.778 -20.8162 373.25 GPRESSURE: 4916200 124.873 -148.955 -138.733 -214.978 -254.862 -105.402 -158.981 1.76986 391.483 PRESSAVG: 4916200 21.3285 -76.671 -43.2351 -76.671 -53.4612 11.0548 -43.2352 11.0548 6.80591 GPRESSAVG: 4916200 20.8379 -73.2357 -43.3336 -76.7397 -52.0337 10.962 -42.8516 10.5254 5.69657 TIMING: 4916200 CPU: 15628.2, 0.00319625/step Wall: 15628.2, 0.00319625/step, 0.0744016 hours remaining, 238.613281 MB of memory in use. ENERGY: 4916200 3976.8342 20593.4132 14441.5349 254.3388 -203700.5915 2755.6343 0.0000 0.0000 51999.9112 -109678.9249 298.8442 -161678.8361 -109325.5245 299.3626 49.2304 87.1647 759925.3338 -8.4423 -8.4997 LDB: ============= START OF LOAD BALANCING ============== 15640.6 LDB: ============== END OF LOAD BALANCING =============== 15640.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15640.6 LDB: ============= START OF LOAD BALANCING ============== 15641 LDB: Largest compute 7025 load 0.036087 is 18.4% of average load 0.196009 LDB: Average compute 0.004410 is 2.2% of average load 0.196009 LDB: TIME 15641 LOAD: AVG 0.196009 MAX 0.220631 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 15641 LOAD: AVG 0.196009 MAX 0.220631 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: TIME 15641 LOAD: AVG 0.196009 MAX 0.220631 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.359 MB LDB: ============== END OF LOAD BALANCING =============== 15641 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15641 PRESSURE: 4916400 -188.687 -141.206 256.413 -141.206 276.701 -41.4148 256.413 -41.4143 171.659 GPRESSURE: 4916400 -129.967 -121.723 263.438 -56.7156 330.82 4.56765 71.9152 -77.2102 142.519 PRESSAVG: 4916400 -40.5242 -74.3205 6.94378 -74.3205 76.6185 9.93948 6.94388 9.93947 12.7796 GPRESSAVG: 4916400 -39.9438 -76.98 6.70384 -73.0566 75.7145 10.1717 7.3043 9.93551 13.1641 TIMING: 4916400 CPU: 15628.9, 0.00328573/step Wall: 15628.9, 0.00328573/step, 0.0763019 hours remaining, 239.953125 MB of memory in use. ENERGY: 4916400 3983.0401 20633.9210 14548.9684 254.5732 -203795.8317 2701.7767 0.0000 0.0000 52016.6850 -109656.8674 298.9406 -161673.5524 -109304.8627 298.7153 86.5578 114.4573 761289.1866 16.2913 16.3116 PRESSURE: 4916600 259.638 -166.543 -58.6824 -166.543 -68.8727 31.6598 -58.6826 31.6602 66.1254 GPRESSURE: 4916600 255.558 -226.248 -111.608 -220.265 -3.1749 74.8877 54.4183 114.379 94.1419 PRESSAVG: 4916600 0.534408 8.26658 -30.5181 8.26658 44.6554 -14.4777 -30.5181 -14.4777 23.0283 GPRESSAVG: 4916600 -0.0954152 7.60746 -31.7534 8.25021 45.5026 -13.9439 -31.5447 -14.939 22.5324 TIMING: 4916600 CPU: 15629.5, 0.00319683/step Wall: 15629.5, 0.00319683/step, 0.0740599 hours remaining, 240.023438 MB of memory in use. ENERGY: 4916600 4018.0677 20463.5330 14499.2952 244.3510 -203884.5950 2699.5109 0.0000 0.0000 52107.1238 -109852.7133 299.4604 -161959.8371 -109485.8760 298.7218 85.6303 115.5084 759580.8875 22.7394 22.6465 PRESSURE: 4916800 -183.186 -205.055 176.462 -205.054 -25.1379 -45.5589 176.463 -45.5581 -7.48747 GPRESSURE: 4916800 -202.141 -192.44 176.826 -203.262 12.301 -115.391 201.853 55.1793 43.7659 PRESSAVG: 4916800 -9.02526 -31.5257 4.66727 -31.5256 -31.9681 -0.471174 4.66722 -0.471143 13.679 GPRESSAVG: 4916800 -9.22406 -28.3569 6.33662 -33.9849 -31.9344 -0.599337 4.24016 -1.27518 14.1139 TIMING: 4916800 CPU: 15630.2, 0.00320922/step Wall: 15630.2, 0.00320922/step, 0.0741687 hours remaining, 240.023438 MB of memory in use. ENERGY: 4916800 4064.3423 20626.4428 14407.6115 215.0952 -203987.4029 2938.1102 0.0000 0.0000 51883.5412 -109852.2598 298.1754 -161735.8010 -109492.2507 298.7201 -71.9371 -48.6913 760977.1739 -9.1048 -9.0149 PRESSURE: 4917000 71.5403 115.029 -225.233 115.03 41.7948 -12.3814 -225.233 -12.3818 -450.943 GPRESSURE: 4917000 90.5272 116.169 -211.292 92.8011 157.258 31.511 -290.25 -7.9027 -484.136 PRESSAVG: 4917000 15.5081 -32.653 9.52032 -32.653 0.986495 8.64193 9.52036 8.64201 -13.8292 GPRESSAVG: 4917000 16.4461 -35.204 9.21424 -30.7781 0.871516 7.25476 9.5418 10.3052 -14.3111 TIMING: 4917000 CPU: 15630.8, 0.00321572/step Wall: 15630.8, 0.00321572/step, 0.0741403 hours remaining, 240.023438 MB of memory in use. ENERGY: 4917000 3978.7372 20512.8811 14512.3230 267.9159 -203477.4233 2590.3930 0.0000 0.0000 51816.6323 -109798.5407 297.7909 -161615.1730 -109441.7484 298.5157 -112.5360 -78.7835 760963.3638 0.8885 1.0022 PRESSURE: 4917200 46.0135 -117.178 -205.747 -117.177 303.931 218.213 -205.746 218.212 -58.2296 GPRESSURE: 4917200 69.1245 -170.161 -174.17 -55.0113 285.07 254.506 -158.343 201.51 29.0285 PRESSAVG: 4917200 24.2908 6.56823 20.926 6.56827 -3.42193 -51.206 20.926 -51.206 -10.0994 GPRESSAVG: 4917200 24.141 7.98477 20.7727 6.00114 -2.67731 -50.3097 23.2703 -51.3226 -10.4919 TIMING: 4917200 CPU: 15631.5, 0.00321276/step Wall: 15631.5, 0.00321276/step, 0.0738934 hours remaining, 240.023438 MB of memory in use. ENERGY: 4917200 3964.8313 20322.6810 14428.2468 243.5259 -203607.8032 2626.6875 0.0000 0.0000 52037.9018 -109983.9289 299.0625 -162021.8308 -109618.9093 298.3331 97.2382 127.7412 759729.8842 3.5898 3.6573 PRESSURE: 4917400 82.6624 53.7234 -220.898 53.7231 -40.9371 231.205 -220.898 231.206 131.746 GPRESSURE: 4917400 34.4759 136.892 -195.293 -85.8366 102.025 202.142 -223.342 172.788 121.423 PRESSAVG: 4917400 -31.4246 -28.9609 -19.992 -28.9609 38.5786 26.7386 -19.992 26.7385 1.44262 GPRESSAVG: 4917400 -29.5372 -29.8041 -19.3108 -28.6676 37.9307 26.2516 -21.19 24.6919 0.751306 TIMING: 4917400 CPU: 15632.1, 0.00322074/step Wall: 15632.1, 0.00322074/step, 0.073898 hours remaining, 240.023438 MB of memory in use. ENERGY: 4917400 3917.5621 20411.0878 14401.7970 258.7078 -203462.4911 2672.2476 0.0000 0.0000 51887.1019 -109913.9868 298.1959 -161801.0887 -109544.1967 298.0849 57.8237 85.9748 759737.8074 2.8655 3.0483 PRESSURE: 4917600 144.698 -43.0435 154.031 -43.0432 -22.5008 147.041 154.032 147.041 -29.0117 GPRESSURE: 4917600 181.127 -13.7872 89.9411 115.746 7.74998 114.627 57.2637 137.305 12.8004 PRESSAVG: 4917600 -31.4464 -52.7277 43.8358 -52.7277 17.6562 27.9605 43.8358 27.9606 -5.3089 GPRESSAVG: 4917600 -31.6848 -51.8405 42.9819 -53.4203 18.1973 27.975 43.2092 29.3141 -5.45018 TIMING: 4917600 CPU: 15632.7, 0.00320974/step Wall: 15632.7, 0.00320974/step, 0.0734673 hours remaining, 240.023438 MB of memory in use. ENERGY: 4917600 3987.6831 20409.7871 14435.9909 256.7341 -203462.9751 2598.8415 0.0000 0.0000 52000.9467 -109772.9916 298.8502 -161773.9383 -109413.9788 298.2345 31.0620 67.2259 759957.5449 -6.3664 -6.3126 PRESSURE: 4917800 -314.323 -67.5939 -17.3138 -67.5939 274.967 48.473 -17.3137 48.4735 210.653 GPRESSURE: 4917800 -168.417 -22.746 20.6103 -40.1081 186.634 77.4613 -76.6155 -91.4051 240.36 PRESSAVG: 4917800 38.0638 20.0033 11.1711 20.0033 19.5444 -19.8647 11.1711 -19.8647 12.2926 GPRESSAVG: 4917800 38.0794 19.0712 12.4058 20.5239 17.8842 -19.3501 12.0219 -19.4422 13.8861 TIMING: 4917800 CPU: 15633.4, 0.00319061/step Wall: 15633.4, 0.00319061/step, 0.0728523 hours remaining, 240.023438 MB of memory in use. ENERGY: 4917800 4029.3061 20378.4467 14450.6581 260.8518 -203439.1550 2524.8943 0.0000 0.0000 52090.3809 -109704.6171 299.3641 -161794.9980 -109337.6608 298.6935 57.0987 86.1926 759724.3133 23.3003 23.2832 PRESSURE: 4918000 85.5904 31.5439 -115.691 31.5442 -429.26 -45.7768 -115.69 -45.7763 -101.64 GPRESSURE: 4918000 -4.5969 3.63186 -42.9382 64.418 -198.409 -29.7363 78.4846 -14.1144 -138.944 PRESSAVG: 4918000 -17.3161 -3.91021 8.2558 -3.91025 -0.222907 -42.7215 8.2558 -42.7215 6.00121 GPRESSAVG: 4918000 -18.1986 -4.46071 6.97232 -3.01399 1.21274 -44.3479 7.21509 -42.1115 5.37853 TIMING: 4918000 CPU: 15634, 0.00318239/step Wall: 15634, 0.00318239/step, 0.0724878 hours remaining, 240.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4918000 3968.9331 20354.0335 14474.6895 229.2530 -203005.0411 2334.7335 0.0000 0.0000 51900.8597 -109742.5388 298.2750 -161643.3985 -109390.5967 299.3157 -148.4366 -113.9831 761202.9600 -3.8459 -3.8691 PRESSURE: 4918200 -87.3217 -125.668 334.592 -125.669 37.2136 -57.8218 334.592 -57.8219 -63.8692 GPRESSURE: 4918200 49.1732 -213.112 246.63 -166.709 -14.2173 -125.246 279.385 -32.5987 -57.7025 PRESSAVG: 4918200 -12.4984 -57.373 35.1376 -57.373 5.14401 -38.7368 35.1376 -38.7368 6.93654 GPRESSAVG: 4918200 -11.9953 -56.483 35.3317 -58.4418 4.2311 -38.3236 35.126 -37.505 6.97705 TIMING: 4918200 CPU: 15634.7, 0.00320271/step Wall: 15634.7, 0.00320271/step, 0.0727728 hours remaining, 240.023438 MB of memory in use. ENERGY: 4918200 3997.1269 20319.5283 14479.0021 232.5113 -203574.8624 2703.5821 0.0000 0.0000 52186.4072 -109656.7045 299.9160 -161843.1118 -109291.1035 298.8789 -37.9924 -7.5822 761968.7994 -0.1393 -0.2624 PRESSURE: 4918400 -66.3515 38.8167 -173.255 38.8157 37.7822 -26.2553 -173.254 -26.2541 -20.3484 GPRESSURE: 4918400 120.759 33.988 -170.532 58.1397 -105.227 -84.7487 -131.411 23.5746 39.2537 PRESSAVG: 4918400 0.923578 -43.5221 19.0475 -43.5221 2.8015 2.81982 19.0475 2.81992 20.2926 GPRESSAVG: 4918400 0.309425 -44.1927 19.9936 -45.3644 3.74012 2.43225 21.0341 1.80247 19.8685 TIMING: 4918400 CPU: 15635.3, 0.0031727/step Wall: 15635.3, 0.0031727/step, 0.0719146 hours remaining, 240.023438 MB of memory in use. ENERGY: 4918400 4048.9740 20326.5837 14455.3160 238.5329 -203036.5196 2587.0775 0.0000 0.0000 51944.6027 -109435.4328 298.5263 -161380.0354 -109078.4186 298.8742 -16.3059 18.2620 762349.7257 8.0059 7.9727 PRESSURE: 4918600 -241.008 228.35 -103.775 228.35 -11.5855 148.298 -103.775 148.299 -86.8766 GPRESSURE: 4918600 -223.902 274.876 -122.028 107.525 89.7827 154.727 -47.9769 125.064 -115.119 PRESSAVG: 4918600 3.87604 -33.5875 27.2957 -33.5875 -4.65492 8.71683 27.2957 8.71675 3.22075 GPRESSAVG: 4918600 3.42588 -32.3901 26.1656 -32.7501 -3.44824 10.8115 27.6963 8.30493 2.83581 TIMING: 4918600 CPU: 15635.9, 0.0031937/step Wall: 15635.9, 0.0031937/step, 0.0722132 hours remaining, 240.023438 MB of memory in use. ENERGY: 4918600 3955.8510 20434.7372 14453.9579 260.5647 -203020.1515 2398.1415 0.0000 0.0000 52074.2509 -109442.6482 299.2714 -161516.8991 -109081.0212 299.0412 -113.1568 -83.0795 762855.7497 0.8140 0.9378 PRESSURE: 4918800 -86.127 -76.64 51.4325 -76.639 16.4637 -44.8669 51.4324 -44.8684 204.371 GPRESSURE: 4918800 -45.8357 -170.062 132.964 -134.555 109.544 -51.051 -94.5477 -229.93 170.988 PRESSAVG: 4918800 -74.1715 -32.8627 -6.19642 -32.8627 52.3222 -25.562 -6.19636 -25.562 8.08379 GPRESSAVG: 4918800 -73.117 -33.0698 -5.09455 -31.1356 52.7294 -27.3312 -6.64909 -25.1055 6.79638 TIMING: 4918800 CPU: 15636.6, 0.00320145/step Wall: 15636.6, 0.00320145/step, 0.0722104 hours remaining, 240.023438 MB of memory in use. ENERGY: 4918800 4070.3334 20450.9221 14495.4705 251.3195 -203110.0623 2617.4211 0.0000 0.0000 51967.1027 -109257.4931 298.6557 -161224.5958 -108896.6361 299.5187 44.9024 78.2319 761778.3220 -4.5885 -4.5304 PRESSURE: 4919000 -97.1601 -30.9214 242.046 -30.9209 273.127 -10.3812 242.046 -10.3817 -468.577 GPRESSURE: 4919000 27.5442 -28.6092 189.194 -123.789 227.134 77.3628 110.5 -57.9033 -477.16 PRESSAVG: 4919000 -0.423278 0.803748 16.2173 0.803752 -13.9363 -4.34482 16.2174 -4.34482 8.50963 GPRESSAVG: 4919000 -0.343133 0.129625 16.6472 -1.04976 -15.7792 -2.42844 13.5181 -5.32359 10.1415 TIMING: 4919000 CPU: 15637.2, 0.0031976/step Wall: 15637.2, 0.0031976/step, 0.0719461 hours remaining, 240.023438 MB of memory in use. ENERGY: 4919000 4088.2306 20435.3148 14475.6863 228.0520 -203027.1200 2538.7718 0.0000 0.0000 51982.2041 -109278.8603 298.7424 -161261.0645 -108918.9475 299.4205 -97.5365 -74.1607 763432.7443 -1.9500 -1.9936 PRESSURE: 4919200 99.5354 16.0398 -5.20453 16.0394 -22.2838 -75.9741 -5.20465 -75.9746 301.63 GPRESSURE: 4919200 101.204 89.1772 -32.1741 -36.3905 63.7972 -184.765 66.5919 -96.0802 334.234 PRESSAVG: 4919200 -55.9771 -28.0243 32.3589 -28.0243 71.1271 10.8915 32.3589 10.8916 -18.7563 GPRESSAVG: 4919200 -56.8488 -27.9578 31.5671 -25.9512 71.1143 9.8583 35.4803 11.3642 -17.1265 TIMING: 4919200 CPU: 15637.8, 0.00318519/step Wall: 15637.8, 0.00318519/step, 0.0714899 hours remaining, 240.023438 MB of memory in use. ENERGY: 4919200 4018.5623 20594.0243 14471.0748 235.1757 -203179.8949 2677.0523 0.0000 0.0000 51992.6180 -109191.3874 298.8023 -161184.0054 -108832.6256 299.7698 126.2939 166.4117 760413.2572 -1.2021 -0.9537 PRESSURE: 4919400 165.332 79.7117 -130.46 79.7114 321.738 42.1922 -130.46 42.192 388.639 GPRESSURE: 4919400 192.95 83.4103 -145.902 -18.8552 378.754 143.968 39.7286 -43.0457 409.495 PRESSAVG: 4919400 41.8564 -19.3503 17.685 -19.3504 -64.3252 -11.85 17.685 -11.85 4.96553 GPRESSAVG: 4919400 42.0745 -19.8014 16.8343 -19.8091 -63.3844 -12.3631 16.8768 -12.3372 3.67374 TIMING: 4919400 CPU: 15638.5, 0.00318288/step Wall: 15638.5, 0.00318288/step, 0.0712612 hours remaining, 240.023438 MB of memory in use. ENERGY: 4919400 3954.1613 20613.2547 14416.7029 237.1154 -203037.8098 2459.4368 0.0000 0.0000 52164.5553 -109192.5835 299.7904 -161357.1388 -108849.7557 299.5913 291.9028 327.0661 761288.6448 -5.8344 -5.8787 PRESSURE: 4919600 50.7213 -132.141 -30.2729 -132.142 199.277 196.113 -30.273 196.113 -154.059 GPRESSURE: 4919600 101.327 -190.925 -15.4858 -97.1854 211.448 145.229 88.601 158.175 -109.607 PRESSAVG: 4919600 -25.4585 -18.9008 21.1103 -18.9009 27.395 -5.63479 21.1102 -5.63486 -26.4527 GPRESSAVG: 4919600 -25.7126 -19.2047 21.2231 -19.2155 27.4845 -5.01274 22.3286 -6.57205 -26.6521 TIMING: 4919600 CPU: 15639.1, 0.00317304/step Wall: 15639.1, 0.00317304/step, 0.0708645 hours remaining, 240.023438 MB of memory in use. ENERGY: 4919600 4049.7311 20497.3719 14473.6957 240.7531 -203332.4541 2725.2390 0.0000 0.0000 52274.7531 -109070.9102 300.4237 -161345.6633 -108702.4386 300.3359 31.9798 67.7226 761002.7907 -8.1720 -8.2934 PRESSURE: 4919800 -88.9457 44.8372 60.6789 44.838 -196.539 -69.3297 60.6798 -69.3302 -130.035 GPRESSURE: 4919800 -118.804 126.218 -56.8504 15.7572 -168.057 -40.0177 83.3802 12.2535 -51.5717 PRESSAVG: 4919800 44.1102 -63.6001 2.28697 -63.6001 -18.5504 -27.5391 2.28697 -27.5391 16.3037 GPRESSAVG: 4919800 43.7344 -63.264 3.3292 -63.1568 -18.4654 -28.1629 0.612442 -25.0969 16.0838 TIMING: 4919800 CPU: 15639.8, 0.0031961/step Wall: 15639.8, 0.0031961/step, 0.0712021 hours remaining, 240.023438 MB of memory in use. ENERGY: 4919800 4000.3341 20684.0368 14437.5615 245.2926 -203127.3749 2575.2578 0.0000 0.0000 52010.3078 -109174.5841 298.9040 -161184.8920 -108809.8666 300.2379 -138.5067 -112.8111 762449.0785 13.9545 13.7843 PRESSURE: 4920000 -140.261 214.324 228.185 214.324 -56.9315 63.6542 228.184 63.6538 -315.523 GPRESSURE: 4920000 44.7269 216.29 211.854 85.4147 -180.695 133.593 357.943 77.6815 -284.71 PRESSAVG: 4920000 -0.383308 -15.956 -54.6039 -15.9561 -16.6347 -21.9367 -54.6039 -21.9366 1.43533 GPRESSAVG: 4920000 0.477825 -14.4878 -55.793 -20.6095 -17.2587 -20.2869 -54.5954 -22.7782 1.61969 TIMING: 4920000 CPU: 15640.4, 0.00320712/step Wall: 15640.4, 0.00320712/step, 0.0712694 hours remaining, 240.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4920000 3999.6507 20483.7344 14469.5330 244.6191 -203003.5939 2667.9027 0.0000 0.0000 52164.1961 -108973.9579 299.7884 -161138.1540 -108613.9498 300.1902 -170.9052 -140.2262 761818.9435 -5.1942 -5.0537 PRESSURE: 4920200 -209.667 -109.903 -9.73758 -109.904 134.925 -70.2805 -9.73777 -70.2798 -102.975 GPRESSURE: 4920200 -197.17 -12.3359 112.367 -63.6126 186.222 -146.599 -62.4569 13.3778 -86.7862 PRESSAVG: 4920200 -36.7534 1.56427 -4.44791 1.56433 18.1644 -59.8595 -4.44794 -59.8595 25.6329 GPRESSAVG: 4920200 -37.0542 -0.640692 -2.72237 4.84894 18.4234 -60.2494 -4.56803 -59.3273 25.4562 TIMING: 4920200 CPU: 15641, 0.00317464/step Wall: 15641, 0.00317464/step, 0.0703711 hours remaining, 240.023438 MB of memory in use. ENERGY: 4920200 3929.3008 20519.9343 14560.6028 251.9278 -203132.4963 2497.3897 0.0000 0.0000 52345.5675 -109027.7734 300.8307 -161373.3409 -108656.0626 300.0116 -59.2389 -32.5783 760654.9060 2.3479 2.2752 LDB: ============= START OF LOAD BALANCING ============== 15653.4 LDB: ============== END OF LOAD BALANCING =============== 15653.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15653.4 LDB: ============= START OF LOAD BALANCING ============== 15653.8 LDB: Largest compute 7034 load 0.036136 is 18.4% of average load 0.195985 LDB: Average compute 0.004413 is 2.3% of average load 0.195985 LDB: TIME 15653.8 LOAD: AVG 0.195985 MAX 0.212204 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.242 MB LDB: TIME 15653.8 LOAD: AVG 0.195985 MAX 0.212204 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.445 MB LDB: TIME 15653.8 LOAD: AVG 0.195985 MAX 0.212204 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15653.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15653.8 PRESSURE: 4920400 145.121 29.4946 182.31 29.4938 180.724 -78.724 182.31 -78.7234 183.385 GPRESSURE: 4920400 200.914 -3.14265 194.158 10.9312 135.374 -143.524 104.218 114.782 274.501 PRESSAVG: 4920400 3.52828 -35.6485 -56.524 -35.6485 16.7449 8.83952 -56.5239 8.83948 8.5878 GPRESSAVG: 4920400 5.08834 -34.952 -58.3047 -36.4465 15.547 7.41054 -55.8969 8.81798 7.83956 TIMING: 4920400 CPU: 15641.7, 0.00329659/step Wall: 15641.7, 0.00329658/step, 0.0728911 hours remaining, 238.410156 MB of memory in use. ENERGY: 4920400 3948.0016 20528.9634 14508.1981 240.6393 -203235.8767 2726.8233 0.0000 0.0000 52130.2754 -109152.9756 299.5934 -161283.2510 -108788.5429 299.8780 169.7434 203.5963 761884.3242 9.6203 9.4916 PRESSURE: 4920600 52.8817 -164.266 -237.18 -164.266 226.227 -110.73 -237.179 -110.73 -30.8766 GPRESSURE: 4920600 91.2176 -100.045 -196.908 -82.2874 182.614 -73.9333 -309.996 -93.1454 38.0245 PRESSAVG: 4920600 -23.7129 -43.5884 4.9641 -43.5885 33.1368 9.79356 4.96414 9.79362 5.28665 GPRESSAVG: 4920600 -24.3351 -41.895 5.64619 -43.6562 32.1215 11.3531 2.62283 7.49571 6.78247 TIMING: 4920600 CPU: 15642.3, 0.00318518/step Wall: 15642.3, 0.00318518/step, 0.070251 hours remaining, 238.410156 MB of memory in use. ENERGY: 4920600 3865.8938 20490.3747 14415.4702 247.0756 -203009.0828 2438.9402 0.0000 0.0000 52315.3634 -109235.9649 300.6571 -161551.3284 -108878.7111 299.4799 82.7441 103.9520 762182.0367 4.9035 4.8563 PRESSURE: 4920800 259.387 30.38 117.437 30.3811 -125.55 -119.487 117.437 -119.487 77.3304 GPRESSURE: 4920800 185.114 49.0709 85.3124 -57.9924 11.9334 -146.458 143.616 -113.714 114.267 PRESSAVG: 4920800 16.0973 -53.2566 -80.3645 -53.2565 -1.78664 -31.1589 -80.3646 -31.159 3.89817 GPRESSAVG: 4920800 14.7522 -52.5899 -81.8398 -53.5895 -0.749874 -31.0284 -78.325 -29.4711 3.48277 TIMING: 4920800 CPU: 15643, 0.00319643/step Wall: 15643, 0.00319643/step, 0.0703215 hours remaining, 238.410156 MB of memory in use. ENERGY: 4920800 3916.3120 20443.0670 14448.0458 245.9107 -203005.8951 2233.5412 0.0000 0.0000 52462.4913 -109256.5272 301.5027 -161719.0186 -108883.5602 299.5869 70.3891 103.7716 761785.0965 6.0696 5.8284 PRESSURE: 4921000 -76.2676 -137.906 -231.764 -137.906 -34.2213 -89.6394 -231.762 -89.6387 -11.98 GPRESSURE: 4921000 -7.57251 -173.277 -230.025 -45.3294 -37.7438 -59.8041 -147.677 -62.163 9.87851 PRESSAVG: 4921000 1.29474 -16.18 -26.1286 -16.18 16.2626 -31.1227 -26.1287 -31.1228 -32.4596 GPRESSAVG: 4921000 1.20174 -20.0358 -25.3705 -12.6532 16.886 -32.1976 -25.2372 -31.6909 -32.8822 TIMING: 4921000 CPU: 15643.6, 0.00317546/step Wall: 15643.6, 0.00317546/step, 0.0696837 hours remaining, 238.410156 MB of memory in use. ENERGY: 4921000 3999.7375 20733.4734 14402.7313 229.0227 -203594.6234 2653.2931 0.0000 0.0000 52315.2420 -109261.1233 300.6564 -161576.3654 -108896.5133 299.5926 -40.8230 -11.8126 761263.0847 -4.9674 -4.9315 PRESSURE: 4921200 357.912 87.8313 -97.2382 87.831 137.445 -162.969 -97.2381 -162.97 268.595 GPRESSURE: 4921200 295.311 33.2268 -125.973 28.5362 235.634 -98.6971 -101.799 -92.8982 327.446 PRESSAVG: 4921200 -12.9767 -71.5725 -15.2305 -71.5724 -8.93375 -39.0329 -15.2305 -39.0329 -14.9272 GPRESSAVG: 4921200 -13.3665 -69.7577 -14.619 -75.4311 -7.76247 -38.001 -16.0912 -37.9468 -15.3082 TIMING: 4921200 CPU: 15644.2, 0.00319363/step Wall: 15644.2, 0.00319363/step, 0.069905 hours remaining, 238.410156 MB of memory in use. ENERGY: 4921200 3970.1840 20538.3801 14443.0914 240.9115 -203305.2241 2765.0858 0.0000 0.0000 52124.1268 -109223.4445 299.5581 -161347.5713 -108852.5194 299.4615 254.6506 286.1306 762402.8881 -12.2792 -12.1457 PRESSURE: 4921400 -19.6563 115.759 -95.7691 115.759 -91.6723 149.906 -95.769 149.907 -36.2964 GPRESSURE: 4921400 52.4888 120.11 -64.0857 75.4129 -132.579 209.193 -143.69 62.5641 19.2213 PRESSAVG: 4921400 45.0593 -0.784573 -46.7007 -0.784557 23.3195 6.76075 -46.7006 6.76084 6.6968 GPRESSAVG: 4921400 44.2044 -0.492774 -48.1416 3.36519 22.791 4.97037 -46.7619 5.80255 8.0768 TIMING: 4921400 CPU: 15644.9, 0.0031861/step Wall: 15644.9, 0.0031861/step, 0.0695632 hours remaining, 238.410156 MB of memory in use. ENERGY: 4921400 3942.7948 20778.6861 14415.4470 233.8782 -203087.4067 2595.7085 0.0000 0.0000 52017.5507 -109103.3414 298.9456 -161120.8921 -108743.8932 299.7632 -49.2083 -20.2897 763380.5719 25.0252 25.0241 PRESSURE: 4921600 -233.607 -202.315 -26.8527 -202.314 -3.67369 95.0099 -26.852 95.0104 -44.3573 GPRESSURE: 4921600 -150.423 -164.348 73.86 -209.605 -20.1095 92.0834 -91.3321 165.528 -7.36213 PRESSAVG: 4921600 5.55477 -9.1941 -13.188 -9.19409 -42.4578 10.7509 -13.1881 10.751 -19.1249 GPRESSAVG: 4921600 6.74849 -9.16653 -13.912 -11.1399 -43.4884 11.2729 -12.3836 10.2645 -19.3085 TIMING: 4921600 CPU: 15645.5, 0.00323002/step Wall: 15645.5, 0.00323002/step, 0.0703426 hours remaining, 238.410156 MB of memory in use. ENERGY: 4921600 4010.9612 20399.5534 14472.3449 255.9436 -202583.9479 2239.0170 0.0000 0.0000 52049.0697 -109157.0582 299.1267 -161206.1278 -108793.9850 299.9453 -93.8794 -59.2983 763831.8991 -18.6760 -18.6828 PRESSURE: 4921800 127.383 178.049 114.723 178.051 -359.286 63.7017 114.723 63.7009 434.478 GPRESSURE: 4921800 184.448 174.706 13.3191 144.839 -290.55 30.4075 128.539 55.4853 392.621 PRESSAVG: 4921800 16.7861 35.7002 1.05012 35.7001 -1.00833 -14.0602 1.05012 -14.0602 -6.8532 GPRESSAVG: 4921800 15.5362 36.8052 2.00087 32.859 -0.237327 -13.9336 -1.45922 -14.1671 -6.31743 TIMING: 4921800 CPU: 15646.2, 0.00324448/step Wall: 15646.2, 0.00324448/step, 0.0704773 hours remaining, 238.410156 MB of memory in use. ENERGY: 4921800 4023.6094 20472.4284 14426.3429 243.6937 -203334.7875 2762.0125 0.0000 0.0000 52196.5712 -109210.1294 299.9744 -161406.7006 -108852.3369 299.8934 67.5249 95.5061 760433.9810 2.9748 2.9938 PRESSURE: 4922000 37.0811 -165.999 -38.2853 -165.999 224.504 -211.225 -38.2848 -211.224 168.496 GPRESSURE: 4922000 136.114 -140.242 -138.667 -69.649 172.699 -175.052 72.2057 -194.881 203.52 PRESSAVG: 4922000 46.0954 29.8008 -0.707744 29.8009 -52.4189 -10.1588 -0.707717 -10.1588 -2.41889 GPRESSAVG: 4922000 46.2092 28.2187 0.25084 32.6302 -52.3667 -10.8692 1.97407 -7.94479 -2.65173 TIMING: 4922000 CPU: 15646.8, 0.0032534/step Wall: 15646.8, 0.0032534/step, 0.0704903 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4922000 3942.4756 20545.9862 14452.4116 262.7529 -203419.6764 2824.7797 0.0000 0.0000 52036.8863 -109354.3841 299.0567 -161391.2705 -108995.8763 300.0009 143.3603 170.7778 760916.7924 -2.9141 -2.9364 PRESSURE: 4922200 -318.061 -237.687 -4.10406 -237.687 186.471 -130.767 -4.10385 -130.768 12.77 GPRESSURE: 4922200 -206.591 -117.304 -14.6262 -207.945 140.462 -62.5022 -28.9025 -52.4955 45.7645 PRESSAVG: 4922200 2.62411 -15.7527 4.83572 -15.7527 25.3539 -42.8375 4.83574 -42.8374 18.7891 GPRESSAVG: 4922200 3.84183 -14.9991 5.01391 -16.3325 26.0464 -41.7447 5.03242 -43.9354 16.5736 TIMING: 4922200 CPU: 15647.5, 0.00322306/step Wall: 15647.5, 0.00322306/step, 0.0696538 hours remaining, 238.410156 MB of memory in use. ENERGY: 4922200 4002.5450 20497.8587 14452.5301 233.5729 -203311.5380 2587.0018 0.0000 0.0000 52126.0609 -109411.9685 299.5692 -161538.0295 -109046.3541 299.7917 -39.6067 -6.7882 761382.9183 15.5891 15.4873 PRESSURE: 4922400 279.267 -126.687 92.8761 -126.687 237.165 46.1307 92.8764 46.1302 243.087 GPRESSURE: 4922400 252.125 -202.748 51.3196 -221.138 264.848 34.6969 79.0846 -44.8314 346.347 PRESSAVG: 4922400 27.448 -39.3418 39.4989 -39.3417 -42.102 -11.7892 39.4988 -11.7892 -16.4651 GPRESSAVG: 4922400 27.0449 -37.8628 39.4111 -37.9169 -43.4224 -11.6981 35.1656 -12.5863 -15.0471 TIMING: 4922400 CPU: 15648.1, 0.00319712/step Wall: 15648.1, 0.00319712/step, 0.0689157 hours remaining, 238.410156 MB of memory in use. ENERGY: 4922400 4005.1063 20630.3585 14373.4528 257.4829 -203350.7982 2649.1709 0.0000 0.0000 52050.4601 -109384.7668 299.1347 -161435.2268 -109025.0598 299.1685 253.1729 287.7731 761308.3217 -10.3730 -10.4748 PRESSURE: 4922600 -186.293 60.4109 163.464 60.4117 48.271 -32.835 163.464 -32.8357 248.83 GPRESSURE: 4922600 -132.501 63.6345 135.509 -126.424 142.858 -68.4816 250.177 25.9521 200.697 PRESSAVG: 4922600 26.8633 -27.8175 -49.0201 -27.8174 37.7384 -45.2322 -49.0201 -45.2322 12.4941 GPRESSAVG: 4922600 25.5706 -29.074 -48.3424 -29.5629 39.3443 -46.4851 -46.8805 -44.9803 13.0419 TIMING: 4922600 CPU: 15648.8, 0.00319634/step Wall: 15648.8, 0.00319634/step, 0.0687214 hours remaining, 238.410156 MB of memory in use. ENERGY: 4922600 3949.0733 20538.3549 14449.4575 249.9366 -203140.5738 2292.8669 0.0000 0.0000 52264.7798 -109396.1048 300.3664 -161660.8847 -109025.0417 299.1802 36.9362 70.3514 760389.2321 25.6986 25.9856 PRESSURE: 4922800 -351.138 -64.6139 10.3876 -64.6142 -400.248 21.3669 10.3887 21.3672 346.868 GPRESSURE: 4922800 -372.645 -111.998 3.86679 -81.6061 -308.401 -119.596 166.128 123.218 349.861 PRESSAVG: 4922800 14.385 -47.0206 -34.6141 -47.0207 -29.1712 -44.6537 -34.6141 -44.6537 -11.8327 GPRESSAVG: 4922800 16.2723 -45.7638 -36.3841 -48.0654 -29.0978 -44.7488 -33.6161 -45.4871 -13.2944 TIMING: 4922800 CPU: 15649.4, 0.0032174/step Wall: 15649.4, 0.0032174/step, 0.0689954 hours remaining, 238.410156 MB of memory in use. ENERGY: 4922800 3931.0413 20548.4192 14454.7115 255.5529 -203312.4159 2516.7927 0.0000 0.0000 52132.3129 -109473.5852 299.6051 -161605.8982 -109112.5881 299.1862 -134.8397 -110.3951 762751.0305 -8.8729 -8.7066 PRESSURE: 4923000 -416.596 36.6655 -11.9423 36.666 -223.239 -307.921 -11.9434 -307.922 -36.3086 GPRESSURE: 4923000 -345.616 59.447 63.2264 32.0672 -172.154 -245.381 2.12656 -281.872 -55.225 PRESSAVG: 4923000 -16.858 -48.6091 36.3296 -48.6092 14.9023 -31.3091 36.3296 -31.3091 21.326 GPRESSAVG: 4923000 -16.528 -47.5949 35.2361 -47.791 13.4181 -31.6738 38.4181 -29.1683 22.9395 TIMING: 4923000 CPU: 15650, 0.0031967/step Wall: 15650, 0.0031967/step, 0.0683739 hours remaining, 238.410156 MB of memory in use. ENERGY: 4923000 4054.9500 20612.9769 14483.2263 244.6372 -203487.1701 2388.4010 0.0000 0.0000 52251.6978 -109451.2809 300.2912 -161702.9787 -109095.6759 299.4428 -225.3813 -190.9985 761383.7145 6.4568 6.6099 PRESSURE: 4923200 100.151 -139.851 204.644 -139.851 -285.918 -222.758 204.644 -222.758 293.803 GPRESSURE: 4923200 177.939 -309.139 199.357 -80.002 -250.501 -164.2 207.852 -139.669 254.788 PRESSAVG: 4923200 14.0618 -24.3008 6.96358 -24.3009 -1.68137 -44.9222 6.9636 -44.9223 42.2403 GPRESSAVG: 4923200 12.1587 -27.6889 8.89037 -24.9031 -1.18501 -43.8125 3.77355 -46.4321 43.719 TIMING: 4923200 CPU: 15650.7, 0.00318017/step Wall: 15650.7, 0.00318017/step, 0.0678437 hours remaining, 238.410156 MB of memory in use. ENERGY: 4923200 4075.3635 20509.5785 14464.2093 254.4204 -203341.9521 2542.9095 0.0000 0.0000 51971.3673 -109524.1036 298.6802 -161495.4709 -109170.5625 299.5649 36.0121 60.7419 761345.8498 18.2069 18.2309 PRESSURE: 4923400 -466.24 -153.802 -12.0118 -153.802 53.7103 -99.8097 -12.0115 -99.8087 -286.346 GPRESSURE: 4923400 -401.874 -121.452 117.06 -155.071 68.6428 -180.114 44.0186 -85.7465 -277.821 PRESSAVG: 4923400 11.6386 -77.6287 16.623 -77.6287 -56.4465 -3.43735 16.623 -3.43734 -13.6617 GPRESSAVG: 4923400 13.3464 -75.293 16.2715 -78.3784 -55.7968 -4.50358 16.9354 -4.15583 -15.674 TIMING: 4923400 CPU: 15651.3, 0.00316149/step Wall: 15651.3, 0.00316149/step, 0.0672695 hours remaining, 238.410156 MB of memory in use. ENERGY: 4923400 4046.4098 20465.0118 14389.5573 257.7268 -203245.4202 2369.3598 0.0000 0.0000 52137.8229 -109579.5318 299.6368 -161717.3547 -109209.5984 299.1214 -232.9588 -203.6841 761454.3015 -19.4899 -19.3748 PRESSURE: 4923600 285.199 29.6532 -38.498 29.653 -158.294 -127.947 -38.4975 -127.948 -287.316 GPRESSURE: 4923600 328.196 -11.9565 -3.53317 4.48627 -53.6708 -136.662 -44.2924 -83.6519 -320.844 PRESSAVG: 4923600 16.4323 -86.4168 5.36384 -86.4168 14.0377 -39.9765 5.36383 -39.9764 -13.9703 GPRESSAVG: 4923600 15.1847 -86.2602 3.93178 -86.1688 14.3163 -39.0948 4.87502 -39.7953 -13.1504 TIMING: 4923600 CPU: 15651.9, 0.0031734/step Wall: 15651.9, 0.0031734/step, 0.0673467 hours remaining, 238.410156 MB of memory in use. ENERGY: 4923600 3940.4248 20513.1306 14437.5420 241.1260 -203211.5067 2463.7409 0.0000 0.0000 51948.4179 -109667.1245 298.5483 -161615.5424 -109303.5980 299.3775 -53.4705 -15.4395 761470.8718 5.4999 5.4502 PRESSURE: 4923800 -196.256 71.3254 -78.4483 71.3256 324.718 -314.551 -78.4482 -314.553 -139.192 GPRESSURE: 4923800 -90.9049 -2.91841 -104.034 70.7218 294.406 -273.116 95.6436 -319.99 -134.891 PRESSAVG: 4923800 -38.2617 -2.10926 32.2233 -2.10931 1.43184 -29.3995 32.2233 -29.3995 -6.8897 GPRESSAVG: 4923800 -37.1539 -2.49352 29.964 -1.60346 1.23277 -28.096 37.2601 -29.2852 -7.71236 TIMING: 4923800 CPU: 15652.6, 0.00320591/step Wall: 15652.6, 0.00320591/step, 0.0678585 hours remaining, 238.410156 MB of memory in use. ENERGY: 4923800 3971.0817 20375.5821 14516.0834 267.9840 -203239.9577 2396.8982 0.0000 0.0000 52262.6398 -109449.6885 300.3541 -161712.3283 -109081.1681 299.2635 -3.5767 22.8700 760154.5022 -14.5732 -14.5445 PRESSURE: 4924000 521.192 236.105 60.827 236.105 369.74 -87.8501 60.8275 -87.8507 486.238 GPRESSURE: 4924000 513.72 267.182 89.7606 100.436 433.119 -14.6398 68.6333 49.2504 523.206 PRESSAVG: 4924000 -22.6789 -7.58852 31.3702 -7.58841 65.6906 2.56384 31.3702 2.56383 10.9624 GPRESSAVG: 4924000 -23.1431 -7.48563 34.173 -8.6361 66.6789 0.778722 28.2114 2.93882 10.7907 TIMING: 4924000 CPU: 15653.2, 0.00320706/step Wall: 15653.2, 0.00320706/step, 0.0677045 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4924000 3989.4595 20524.4331 14440.8121 246.1065 -203889.5120 3145.9004 0.0000 0.0000 52032.4488 -109510.3515 299.0312 -161542.8003 -109158.0325 299.6701 459.0567 490.0150 760234.9600 17.9914 18.1088 PRESSURE: 4924200 274.828 -44.7597 162.825 -44.7595 172.944 -58.0649 162.826 -58.0652 362.922 GPRESSURE: 4924200 274.005 70.5359 142.855 -43.4449 244.609 -104.009 36.1012 -53.146 404.237 PRESSAVG: 4924200 -28.6511 41.1488 -4.61721 41.1488 -0.0635926 2.34615 -4.61715 2.34617 -5.99262 GPRESSAVG: 4924200 -27.8781 38.6216 -5.82403 39.6957 -1.21694 3.97949 -4.79246 1.06124 -5.81993 TIMING: 4924200 CPU: 15653.9, 0.00319149/step Wall: 15653.9, 0.00319149/step, 0.0671987 hours remaining, 238.410156 MB of memory in use. ENERGY: 4924200 3885.8593 20610.6954 14491.8302 238.6272 -203162.6742 2429.3198 0.0000 0.0000 51986.9119 -109519.4304 298.7695 -161506.3424 -109161.0037 299.2515 270.2312 307.6172 762181.1067 -11.5691 -11.6383 LDB: ============= START OF LOAD BALANCING ============== 15666.3 LDB: ============== END OF LOAD BALANCING =============== 15666.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15666.3 LDB: ============= START OF LOAD BALANCING ============== 15666.6 LDB: Largest compute 7034 load 0.037196 is 19.0% of average load 0.196021 LDB: Average compute 0.004430 is 2.3% of average load 0.196021 LDB: TIME 15666.6 LOAD: AVG 0.196021 MAX 0.21623 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.473 MB LDB: TIME 15666.6 LOAD: AVG 0.196021 MAX 0.21623 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.473 MB LDB: TIME 15666.6 LOAD: AVG 0.196021 MAX 0.21623 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.473 MB LDB: ============== END OF LOAD BALANCING =============== 15666.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15666.6 PRESSURE: 4924400 213.897 30.8386 117.428 30.8384 265.764 -137.271 117.429 -137.271 248.999 GPRESSURE: 4924400 242.822 169.823 130.539 28.636 323.111 -17.2235 177.488 -122.311 251.295 PRESSAVG: 4924400 -18.8509 -0.350853 -22.937 -0.350829 52.7409 11.6094 -22.937 11.6093 22.1861 GPRESSAVG: 4924400 -19.0755 1.67767 -21.4606 0.766543 52.9521 12.0847 -22.3065 10.3118 22.3389 TIMING: 4924400 CPU: 15654.5, 0.00330151/step Wall: 15654.5, 0.00330151/step, 0.0693316 hours remaining, 238.867188 MB of memory in use. ENERGY: 4924400 3967.7289 20412.2607 14400.2177 257.3000 -203459.9470 2843.2091 0.0000 0.0000 52040.9395 -109538.2912 299.0800 -161579.2306 -109181.7115 299.3595 242.8866 272.4093 759878.8352 18.6920 18.7385 PRESSURE: 4924600 -352.184 135.904 87.0751 135.904 -73.3959 -23.575 87.0761 -23.5756 -462.213 GPRESSURE: 4924600 -299.665 57.7621 132.785 136.557 -14.2769 -133.068 -37.0576 -40.4556 -507.636 PRESSAVG: 4924600 32.0451 21.473 23.2939 21.4729 24.3633 9.95248 23.2939 9.95249 18.8913 GPRESSAVG: 4924600 32.9585 21.0046 22.8607 22.5225 24.1705 7.16068 22.4256 11.4598 17.8917 TIMING: 4924600 CPU: 15655.2, 0.00321035/step Wall: 15655.2, 0.00321035/step, 0.067239 hours remaining, 239.070312 MB of memory in use. ENERGY: 4924600 3972.9651 20580.0023 14445.2721 226.2685 -203129.5125 2357.7201 0.0000 0.0000 52336.1497 -109211.1347 300.7766 -161547.2843 -108858.6595 299.2316 -295.9311 -273.8595 761568.3890 25.0999 25.0069 PRESSURE: 4924800 -28.6773 74.5329 -264.3 74.5333 -17.357 30.7728 -264.3 30.7712 -29.4934 GPRESSURE: 4924800 52.3013 20.9931 -181.182 -41.0839 -55.6535 53.9802 -280.369 106.413 32.2296 PRESSAVG: 4924800 -21.5269 43.1253 1.26064 43.1252 -32.4872 16.4763 1.26065 16.4763 11.4733 GPRESSAVG: 4924800 -22.8287 43.2148 3.02103 41.3426 -32.4532 18.1086 0.52249 17.9143 13.0201 TIMING: 4924800 CPU: 15655.8, 0.00322345/step Wall: 15655.8, 0.00322345/step, 0.0673342 hours remaining, 239.070312 MB of memory in use. ENERGY: 4924800 4011.5212 20474.1769 14551.1227 251.3111 -203221.8466 2526.4962 0.0000 0.0000 52190.7015 -109216.5170 299.9407 -161407.2185 -108852.1401 299.9873 -25.1759 9.6258 761517.4078 -14.1803 -14.0873 PRESSURE: 4925000 56.5654 -43.5236 192.384 -43.524 -108.074 91.1297 192.384 91.1303 -39.9515 GPRESSURE: 4925000 -1.15244 17.8957 168.065 -198.044 88.9157 25.696 112.205 197.861 -104.048 PRESSAVG: 4925000 5.61974 32.9067 -33.5796 32.9067 -18.5787 2.02471 -33.5797 2.02464 5.31689 GPRESSAVG: 4925000 7.23151 33.3432 -34.6828 33.934 -18.0886 0.278815 -33.6919 1.16339 2.80353 TIMING: 4925000 CPU: 15656.4, 0.00321295/step Wall: 15656.4, 0.00321295/step, 0.0669365 hours remaining, 239.070312 MB of memory in use. ENERGY: 4925000 3944.5156 20648.0349 14443.6530 247.1169 -203199.1794 2578.5687 0.0000 0.0000 52206.7825 -109130.5078 300.0331 -161337.2903 -108767.9588 300.3796 -30.4866 -5.4283 760489.8242 -2.5474 -2.6845 PRESSURE: 4925200 194.117 76.9734 31.084 76.9737 -48.005 169.26 31.0837 169.259 3.95004 GPRESSURE: 4925200 138.808 149.535 63.6047 73.1885 69.4067 187.115 56.9974 150.063 42.4933 PRESSAVG: 4925200 56.9004 -21.9335 10.5939 -21.9335 -64.6926 15.0885 10.5939 15.0885 2.45106 GPRESSAVG: 4925200 55.7065 -19.5829 10.2997 -22.9008 -64.9573 15.2731 10.7917 16.4912 4.26794 TIMING: 4925200 CPU: 15657.1, 0.00316828/step Wall: 15657.1, 0.00316828/step, 0.0658299 hours remaining, 239.070312 MB of memory in use. ENERGY: 4925200 3995.3133 20632.2774 14500.1378 235.9330 -203342.5648 2572.7931 0.0000 0.0000 52123.1969 -109282.9133 299.5527 -161406.1102 -108912.5879 300.4525 50.0206 83.5694 761166.9897 -1.7804 -1.6610 PRESSURE: 4925400 -245.807 -60.6457 -114.864 -60.6469 -367.953 -164.505 -114.864 -164.504 199.164 GPRESSURE: 4925400 -149.397 -121.335 -153.032 43.7987 -293.274 -104.683 -92.5288 -20.1517 118.48 PRESSAVG: 4925400 64.1152 -25.8075 -1.25606 -25.8075 -89.7326 -59.1318 -1.25608 -59.1318 29.5582 GPRESSAVG: 4925400 65.0753 -29.7848 -1.575 -23.1483 -89.9337 -57.5466 -0.982158 -60.9562 29.208 TIMING: 4925400 CPU: 15657.7, 0.00321605/step Wall: 15657.7, 0.00321605/step, 0.0666436 hours remaining, 239.070312 MB of memory in use. ENERGY: 4925400 4054.5868 20645.7065 14419.9540 230.0332 -203391.8082 2457.2801 0.0000 0.0000 52348.9446 -109235.3030 300.8501 -161584.2476 -108872.3710 300.3530 -138.1985 -108.0637 760844.7531 1.3136 1.4499 PRESSURE: 4925600 -149.434 121.657 -97.8314 121.657 51.4604 -157.149 -97.8316 -157.15 139.881 GPRESSURE: 4925600 -80.9091 153.177 -61.5229 21.6501 23.0011 -247.779 -76.8753 -131.657 194.16 PRESSAVG: 4925600 26.9856 -37.4236 9.49517 -37.4237 -33.2761 -12.7096 9.49518 -12.7096 6.43333 GPRESSAVG: 4925600 26.8798 -34.4117 8.14007 -40.2465 -33.4425 -14.4753 9.93936 -10.2834 6.81175 TIMING: 4925600 CPU: 15658.4, 0.00322036/step Wall: 15658.4, 0.00322036/step, 0.0665541 hours remaining, 239.070312 MB of memory in use. ENERGY: 4925600 4013.9697 20520.8718 14433.0676 249.3503 -203429.2881 2745.0745 0.0000 0.0000 52173.5077 -109293.4466 299.8419 -161466.9542 -108937.8129 299.2835 13.9692 45.4171 761891.6349 0.0476 0.0830 PRESSURE: 4925800 132.708 -91.3033 38.6695 -91.3029 43.0722 -177.634 38.6701 -177.634 574.741 GPRESSURE: 4925800 160.046 -73.1792 -9.5325 95.5239 93.4727 -101.312 119.288 -74.7605 592.964 PRESSAVG: 4925800 47.6162 -31.5654 22.1606 -31.5654 -74.9541 -11.9202 22.1606 -11.9201 -26.8852 GPRESSAVG: 4925800 47.8827 -33.7836 24.2088 -27.8362 -74.7389 -11.3465 21.1626 -13.7826 -27.1615 TIMING: 4925800 CPU: 15659, 0.00322172/step Wall: 15659, 0.00322172/step, 0.0664033 hours remaining, 239.070312 MB of memory in use. ENERGY: 4925800 3971.3506 20696.5155 14349.0797 264.0948 -203488.9153 2813.0765 0.0000 0.0000 52115.6516 -109279.1466 299.5094 -161394.7982 -108917.7373 299.5808 250.1739 282.1608 761199.3590 -18.0744 -18.0059 PRESSURE: 4926000 84.9582 -80.0669 22.5486 -80.0672 -201.039 321.921 22.5485 321.921 -192.609 GPRESSURE: 4926000 86.3036 -108.952 67.7615 3.41662 -134.234 294.227 116.673 310.529 -159.564 PRESSAVG: 4926000 36.5588 -53.7929 6.70398 -53.7928 -45.4379 24.2818 6.70401 24.2818 7.66739 GPRESSAVG: 4926000 37.0181 -51.0578 7.34141 -57.4061 -45.9532 23.8192 5.92249 24.3454 7.89306 TIMING: 4926000 CPU: 15659.7, 0.00319701/step Wall: 15659.7, 0.00319701/step, 0.0657163 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4926000 4076.8509 20436.4229 14387.5974 243.3344 -203521.5933 2774.4019 0.0000 0.0000 52248.4651 -109354.5207 300.2726 -161602.9858 -108997.3329 299.8765 -102.8965 -69.1648 760936.3320 -0.4039 -0.3474 PRESSURE: 4926200 381.908 69.4389 -175.581 69.4392 56.9496 82.4714 -175.582 82.4711 7.20037 GPRESSURE: 4926200 458.401 33.4892 -89.98 10.9288 -13.3355 92.9122 -266.794 -46.5045 79.7356 PRESSAVG: 4926200 58.3568 -28.7147 10.085 -28.7148 -91.7645 29.3548 10.085 29.3548 -20.7887 GPRESSAVG: 4926200 57.7506 -30.2383 9.47164 -26.0912 -91.6279 28.3841 14.0164 30.2773 -20.4817 TIMING: 4926200 CPU: 15660.3, 0.00318127/step Wall: 15660.3, 0.00318127/step, 0.065216 hours remaining, 239.070312 MB of memory in use. ENERGY: 4926200 3894.3729 20594.1397 14450.6477 260.0245 -203035.6773 2383.4735 0.0000 0.0000 52245.2149 -109207.8040 300.2540 -161453.0189 -108832.8152 300.0787 148.6860 174.9338 758762.4488 -18.0655 -18.1197 PRESSURE: 4926400 5.9238 38.5732 -136.688 38.5727 0.953073 -121.53 -136.688 -121.529 -269.817 GPRESSURE: 4926400 98.4063 -93.9518 -175.393 1.77319 -5.93693 -65.115 -127.29 -117.59 -281.731 PRESSAVG: 4926400 31.4692 -1.83016 40.8081 -1.83017 -26.1352 1.24917 40.8081 1.2492 23.6917 GPRESSAVG: 4926400 31.7189 0.353794 41.1488 -1.95379 -26.0555 2.5398 37.588 1.11309 23.5567 TIMING: 4926400 CPU: 15660.9, 0.00319374/step Wall: 15660.9, 0.00319374/step, 0.0652943 hours remaining, 239.070312 MB of memory in use. ENERGY: 4926400 4036.8958 20616.0880 14525.4815 245.6675 -203165.7971 2342.8635 0.0000 0.0000 52187.6759 -109211.1249 299.9233 -161398.8008 -108859.1987 299.9564 -87.6466 -63.0872 760024.3264 9.6752 9.7400 PRESSURE: 4926600 -209.656 219.616 -94.0923 219.615 -365.203 -29.0171 -94.093 -29.0173 -381.647 GPRESSURE: 4926600 -179.879 248.822 -31.4658 159.757 -312.889 40.0544 -148.939 -41.7395 -384.661 PRESSAVG: 4926600 47.8234 -33.5219 31.0814 -33.5219 -50.6455 8.89135 31.0814 8.89142 -2.87541 GPRESSAVG: 4926600 46.9232 -36.139 31.1609 -33.2131 -50.1604 8.66547 31.2811 10.0267 -2.83818 TIMING: 4926600 CPU: 15661.6, 0.00316453/step Wall: 15661.6, 0.00316453/step, 0.0645212 hours remaining, 239.070312 MB of memory in use. ENERGY: 4926600 4037.6055 20734.0827 14441.0598 224.1687 -202830.6381 2258.6352 0.0000 0.0000 52142.6787 -108992.4076 299.6647 -161135.0863 -108630.4507 299.8522 -318.8353 -292.4765 762062.2517 -1.8992 -2.0251 PRESSURE: 4926800 277.215 -117.194 -69.8446 -117.194 -133.642 69.4945 -69.8447 69.4951 588.663 GPRESSURE: 4926800 188.817 -105.79 -14.7086 -0.468873 -2.73579 70.1213 -148.627 -110.546 621.317 PRESSAVG: 4926800 56.6177 -19.3002 11.5987 -19.3002 -26.0488 15.1707 11.5986 15.1706 0.531419 GPRESSAVG: 4926800 56.6295 -17.1899 10.3126 -20.9062 -26.2604 15.0064 11.397 11.4421 0.959543 TIMING: 4926800 CPU: 15662.2, 0.00315482/step Wall: 15662.2, 0.00315482/step, 0.0641479 hours remaining, 239.070312 MB of memory in use. ENERGY: 4926800 4000.1727 20644.6449 14447.3237 260.9390 -203075.6944 2638.5995 0.0000 0.0000 51797.3272 -109286.6875 297.6800 -161084.0146 -108920.2711 299.6886 244.0784 269.1325 760484.0929 10.3668 10.4429 PRESSURE: 4927000 -144.355 -54.8292 38.0135 -54.8292 4.50375 -71.3557 38.0142 -71.3562 349.602 GPRESSURE: 4927000 -128.912 -91.9684 -29.7191 27.1815 121.195 16.4089 109.912 -198.509 296.336 PRESSAVG: 4927000 -30.9382 -11.907 -32.7045 -11.907 20.3532 -1.20834 -32.7045 -1.20834 -15.5705 GPRESSAVG: 4927000 -30.7495 -13.9638 -32.6465 -11.0707 20.127 -1.97282 -30.9665 0.694649 -16.0152 TIMING: 4927000 CPU: 15662.8, 0.00319254/step Wall: 15662.8, 0.00319254/step, 0.0647376 hours remaining, 239.070312 MB of memory in use. ENERGY: 4927000 3994.6985 20670.9743 14485.0170 244.5080 -203136.3851 2437.4057 0.0000 0.0000 51918.4374 -109385.3442 298.3760 -161303.7816 -109030.1211 299.4894 69.9170 96.2065 759761.3314 -8.7185 -8.8792 PRESSURE: 4927200 -115.67 60.6496 -146.285 60.6494 -297.312 19.8437 -146.286 19.8447 176.362 GPRESSURE: 4927200 17.4184 1.79489 -254.84 44.9565 -429.808 26.1954 -136.218 -32.8204 263.15 PRESSAVG: 4927200 18.2632 -7.6911 -24.9611 -7.69119 -5.20357 -15.4363 -24.9611 -15.4363 15.5578 GPRESSAVG: 4927200 17.8557 -7.46468 -23.4191 -7.06772 -5.07263 -13.8249 -26.8167 -16.1423 15.2049 TIMING: 4927200 CPU: 15663.5, 0.00319558/step Wall: 15663.5, 0.00319558/step, 0.0646218 hours remaining, 239.070312 MB of memory in use. ENERGY: 4927200 4031.4117 20505.5856 14463.7318 246.8269 -202834.8191 2103.6954 0.0000 0.0000 52187.9316 -109295.6360 299.9248 -161483.5677 -108934.2821 300.1111 -78.8736 -49.7465 759742.5135 9.5392 9.3293 PRESSURE: 4927400 -99.3389 -9.27697 -160.068 -9.27651 -227.557 -155.708 -160.068 -155.708 -371.812 GPRESSURE: 4927400 -178.659 -41.7365 -47.6021 -74.27 -80.9798 -185.482 -164.639 -29.4929 -350.604 PRESSAVG: 4927400 27.9578 15.4331 10.2262 15.4331 -13.3146 -21.6335 10.2262 -21.6334 -10.9398 GPRESSAVG: 4927400 27.6664 13.0089 8.80323 16.1272 -12.986 -23.8354 11.0623 -20.877 -11.1395 TIMING: 4927400 CPU: 15664.1, 0.00319035/step Wall: 15664.1, 0.00319035/step, 0.0643387 hours remaining, 239.070312 MB of memory in use. ENERGY: 4927400 4050.2438 20543.3397 14431.9516 258.7179 -203016.5757 2401.6593 0.0000 0.0000 52249.0681 -109081.5951 300.2761 -161330.6633 -108712.9919 299.6686 -232.9028 -203.4143 759167.2316 1.2344 1.1803 PRESSURE: 4927600 -336.06 -104.703 141.684 -104.704 -138.979 -108.604 141.685 -108.604 -81.6263 GPRESSURE: 4927600 -320.077 114.308 151.858 -139.91 -157.655 -147.553 133.039 -139.997 1.85973 PRESSAVG: 4927600 35.3644 0.94505 10.7313 0.945043 -1.32704 -12.5054 10.7313 -12.5054 -0.223132 GPRESSAVG: 4927600 36.0196 5.27141 11.9049 -0.646625 -1.53758 -11.7207 9.79537 -12.5559 0.0682424 TIMING: 4927600 CPU: 15664.7, 0.00318939/step Wall: 15664.7, 0.00318939/step, 0.0641422 hours remaining, 239.070312 MB of memory in use. ENERGY: 4927600 3910.2392 20601.7366 14418.8293 239.8956 -202920.3794 2367.6220 0.0000 0.0000 52060.4697 -109321.5871 299.1922 -161382.0568 -108961.3248 299.6427 -185.5550 -158.6244 760645.1414 11.2714 11.5168 PRESSURE: 4927800 -11.0904 -95.6478 60.8948 -95.6483 -237.284 -209.058 60.895 -209.058 205.658 GPRESSURE: 4927800 -7.94362 -112.655 -0.430063 -164.075 -181.677 -250.519 39.7467 -230.717 209.763 PRESSAVG: 4927800 -19.69 -67.7135 17.9906 -67.7135 -5.84656 13.3603 17.9906 13.3603 14.6454 GPRESSAVG: 4927800 -19.4799 -69.2403 16.4503 -68.0467 -5.85921 14.3013 19.2376 14.101 14.2049 TIMING: 4927800 CPU: 15665.4, 0.00319264/step Wall: 15665.4, 0.00319264/step, 0.0640303 hours remaining, 239.070312 MB of memory in use. ENERGY: 4927800 3967.8576 20409.5189 14439.0724 255.5071 -203048.2677 2595.3704 0.0000 0.0000 52050.5460 -109330.3953 299.1352 -161380.9412 -108978.0887 299.2039 -14.2387 6.7141 761086.7870 -3.6304 -3.7114 PRESSURE: 4928000 -102.533 -105.363 -123.294 -105.362 -145.213 285.241 -123.294 285.24 143.53 GPRESSURE: 4928000 -94.5479 -137.7 -122.064 -59.2742 -90.3193 319.495 -75.7228 136.632 188.975 PRESSAVG: 4928000 -7.94969 -19.9938 -1.8999 -19.9938 74.6416 -18.4027 -1.89984 -18.4027 5.20909 GPRESSAVG: 4928000 -9.8032 -18.0765 0.361272 -22.5501 74.274 -19.6508 -1.8185 -17.3444 7.54174 TIMING: 4928000 CPU: 15666, 0.00316962/step Wall: 15666, 0.00316962/step, 0.0633925 hours remaining, 239.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4928000 3958.6093 20514.8845 14530.0033 264.1922 -203139.9312 2595.7332 0.0000 0.0000 52008.5079 -109268.0007 298.8936 -161276.5086 -108902.4040 299.8865 -34.7385 1.3692 759164.2686 23.9670 24.0042 PRESSURE: 4928200 -108.012 -30.3615 -141.901 -30.3602 249.388 78.6477 -141.901 78.6474 569.216 GPRESSURE: 4928200 -11.1433 -40.8356 -137.309 22.672 300.128 6.55881 -227.905 114.457 509.854 PRESSAVG: 4928200 -74.6012 -25.1247 -26.1485 -25.1247 54.5316 33.3497 -26.1486 33.3497 1.97623 GPRESSAVG: 4928200 -72.4492 -27.0881 -26.9923 -22.6431 54.8201 34.7677 -26.0874 32.6308 -0.153282 TIMING: 4928200 CPU: 15666.7, 0.00317705/step Wall: 15666.7, 0.00317705/step, 0.0633645 hours remaining, 239.070312 MB of memory in use. ENERGY: 4928200 3981.5600 20574.7082 14540.1016 250.6361 -203157.6303 2504.0374 0.0000 0.0000 52077.2478 -109229.3392 299.2887 -161306.5871 -108869.2425 299.8946 236.8640 266.2796 758847.1013 -6.0311 -5.9274 LDB: ============= START OF LOAD BALANCING ============== 15679.1 LDB: ============== END OF LOAD BALANCING =============== 15679.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15679.1 LDB: ============= START OF LOAD BALANCING ============== 15679.4 LDB: Largest compute 7047 load 0.034046 is 17.4% of average load 0.195971 LDB: Average compute 0.004388 is 2.2% of average load 0.195971 LDB: TIME 15679.4 LOAD: AVG 0.195971 MAX 0.215694 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.875 MB LDB: TIME 15679.4 LOAD: AVG 0.195971 MAX 0.215694 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: TIME 15679.4 LOAD: AVG 0.195971 MAX 0.215694 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15679.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15679.4 PRESSURE: 4928400 -8.75734 -89.5109 -73.397 -89.5109 -131.559 -109.659 -73.3966 -109.659 380.76 GPRESSURE: 4928400 -7.6476 -25.0251 47.5427 -123.313 -108.47 -28.1933 -86.9639 -225.139 433.288 PRESSAVG: 4928400 -2.33993 -71.83 -1.31044 -71.83 10.3915 17.5452 -1.31036 17.5453 9.11501 GPRESSAVG: 4928400 -2.32853 -71.6777 -1.24514 -71.9025 9.64075 18.0807 -1.63233 18.3349 9.9252 TIMING: 4928400 CPU: 15667.3, 0.00325346/step Wall: 15667.3, 0.00325346/step, 0.0647077 hours remaining, 238.210938 MB of memory in use. ENERGY: 4928400 3923.9963 20465.7563 14613.0612 243.8770 -202992.7758 2540.6388 0.0000 0.0000 51963.5350 -109241.9111 298.6351 -161205.4461 -108873.9039 299.6969 80.1478 105.7234 762469.3962 5.7222 5.7458 PRESSURE: 4928600 -131.792 -56.705 105.119 -56.7053 134.287 152.866 105.118 152.866 -180.134 GPRESSURE: 4928600 -100.872 2.52308 81.2593 -59.3112 130.223 120.9 215.927 -85.0653 -118.935 PRESSAVG: 4928600 7.20956 -41.8647 12.3051 -41.8647 29.8439 0.891915 12.3051 0.891958 3.50529 GPRESSAVG: 4928600 5.74989 -42.72 11.9246 -43.2626 32.1388 -0.226655 13.0774 -1.25878 3.0226 TIMING: 4928600 CPU: 15667.9, 0.00316619/step Wall: 15667.9, 0.00316619/step, 0.0627962 hours remaining, 238.210938 MB of memory in use. ENERGY: 4928600 3973.2249 20359.9400 14567.0498 233.4078 -202611.7059 2285.8929 0.0000 0.0000 51981.9827 -109210.2078 298.7412 -161192.1905 -108848.9384 299.5918 -59.2131 -29.8613 761242.0778 13.5196 13.6371 PRESSURE: 4928800 -105.656 67.9927 -1.83644 67.9924 415.357 96.1194 -1.83611 96.1199 422.183 GPRESSURE: 4928800 41.0874 42.1803 69.5925 120.088 330.006 87.4906 43.8563 17.5725 444.026 PRESSAVG: 4928800 -42.9897 -24.4787 41.382 -24.4787 27.2865 -1.96982 41.3819 -1.96982 -10.9022 GPRESSAVG: 4928800 -41.8782 -22.1257 42.4862 -24.3957 25.5622 -2.18085 41.0496 -1.95572 -10.5659 TIMING: 4928800 CPU: 15668.6, 0.00318303/step Wall: 15668.6, 0.00318303/step, 0.0629533 hours remaining, 238.210938 MB of memory in use. ENERGY: 4928800 3952.7864 20585.7053 14463.9883 261.0739 -203429.1023 2845.3270 0.0000 0.0000 51982.3426 -109337.8789 298.7432 -161320.2215 -108985.3931 299.5460 243.9613 271.7064 759326.8197 -8.8684 -8.9606 PRESSURE: 4929000 -303.501 203.403 -64.7309 203.404 193.883 -254.844 -64.7305 -254.844 247.751 GPRESSURE: 4929000 -279.766 278.245 17.3768 224.445 264.807 -193.927 61.0978 -305.528 239.563 PRESSAVG: 4929000 14.8342 -43.5474 13.7635 -43.5474 -7.85399 51.2951 13.7636 51.2951 -2.03246 GPRESSAVG: 4929000 13.9141 -45.5307 13.175 -43.7892 -7.01668 50.4429 15.1139 52.8648 -2.41166 TIMING: 4929000 CPU: 15669.2, 0.00321597/step Wall: 15669.2, 0.00321597/step, 0.0634262 hours remaining, 238.210938 MB of memory in use. ENERGY: 4929000 4044.9109 20397.3589 14454.6091 266.6634 -202678.7273 2173.6428 0.0000 0.0000 52067.8210 -109273.7212 299.2345 -161341.5422 -108915.6609 299.1931 46.0441 74.8681 760856.3823 1.6492 1.4952 PRESSURE: 4929200 554.476 -224.003 -27.1043 -224.003 -19.9053 41.6625 -27.1041 41.663 -40.1208 GPRESSURE: 4929200 537.889 -107.225 -77.4276 -83.0173 -33.4843 -28.7278 -207.944 61.5646 81.616 PRESSAVG: 4929200 14.742 -37.6523 1.42392 -37.6523 -23.6996 -7.471 1.42388 -7.47112 6.32145 GPRESSAVG: 4929200 14.9517 -38.1834 1.34235 -34.801 -24.3558 -6.56894 0.804106 -9.53759 6.83095 TIMING: 4929200 CPU: 15669.9, 0.00319346/step Wall: 15669.9, 0.00319346/step, 0.0628047 hours remaining, 238.210938 MB of memory in use. ENERGY: 4929200 3944.4586 20498.1767 14556.1820 257.6577 -203169.6120 2596.2839 0.0000 0.0000 52274.3715 -109042.4815 300.4215 -161316.8530 -108680.6674 300.1245 164.8166 195.3404 761114.4918 -0.8787 -0.8577 PRESSURE: 4929400 -328.956 -3.27249 -207.913 -3.27205 -98.6886 -48.7543 -207.913 -48.7556 0.870539 GPRESSURE: 4929400 -308.229 -130.316 -226.133 -6.77821 5.79645 -56.7547 -21.9008 25.311 -27.9912 PRESSAVG: 4929400 26.6141 -32.2188 28.7121 -32.2187 -55.2068 76.1973 28.712 76.1973 -4.30013 GPRESSAVG: 4929400 28.2033 -32.0074 27.7757 -31.349 -55.8466 75.7234 29.1887 79.9115 -4.43096 TIMING: 4929400 CPU: 15670.5, 0.00318691/step Wall: 15670.5, 0.00318691/step, 0.0624988 hours remaining, 238.210938 MB of memory in use. ENERGY: 4929400 4038.3237 20598.6796 14534.3066 246.9966 -203354.3018 2457.5855 0.0000 0.0000 52376.2544 -109102.1553 301.0071 -161478.4097 -108731.8645 300.4209 -142.2580 -110.1412 760775.6803 -10.9643 -10.6914 PRESSURE: 4929600 229.806 -18.0973 -263.598 -18.0978 72.7415 150.914 -263.598 150.913 -113.212 GPRESSURE: 4929600 221.783 -31.312 -290.267 -98.174 136.18 171.921 -178.565 118.937 -85.9044 PRESSAVG: 4929600 26.9737 -67.715 2.94354 -67.715 4.0908 2.78212 2.94351 2.78204 19.1438 GPRESSAVG: 4929600 25.6317 -66.2421 3.32129 -73.1038 4.79624 3.10443 2.24721 0.939547 19.4999 TIMING: 4929600 CPU: 15671.1, 0.00317722/step Wall: 15671.1, 0.00317722/step, 0.0621323 hours remaining, 238.210938 MB of memory in use. ENERGY: 4929600 3957.7984 20634.2688 14440.9650 251.0228 -203252.6667 2464.8579 0.0000 0.0000 52311.6356 -109192.1182 300.6357 -161503.7538 -108827.5428 300.1961 63.1120 90.6863 760388.0298 16.7361 16.6426 PRESSURE: 4929800 61.3227 1.69944 -241.754 1.70019 215.64 -286.884 -241.754 -286.884 -210.475 GPRESSURE: 4929800 129.104 110.511 -251.544 42.2217 211.022 -230.151 -157.033 -347.452 -196.642 PRESSAVG: 4929800 50.251 -9.96461 12.7857 -9.96474 -3.59999 -24.3121 12.7857 -24.3121 -0.88382 GPRESSAVG: 4929800 49.7345 -10.8026 11.5397 -6.81381 -3.23225 -23.8007 12.9633 -25.6354 -1.03527 TIMING: 4929800 CPU: 15671.8, 0.00318135/step Wall: 15671.8, 0.00318135/step, 0.0620363 hours remaining, 238.210938 MB of memory in use. ENERGY: 4929800 4000.0209 20702.0747 14497.7535 236.5102 -203213.6654 2379.8694 0.0000 0.0000 52163.4712 -109233.9656 299.7842 -161397.4367 -108876.3382 300.3511 22.1627 47.8277 759858.5788 15.2557 15.1556 PRESSURE: 4930000 -373.514 -34.875 -111.916 -34.8747 -257.118 142.724 -111.916 142.723 -260.673 GPRESSURE: 4930000 -253.524 41.6195 -135.43 -170.535 -339.101 104.31 -34.13 15.4504 -213.898 PRESSAVG: 4930000 -13.5858 -24.1499 27.7983 -24.15 32.1 -9.67616 27.7984 -9.67616 -16.7184 GPRESSAVG: 4930000 -12.2625 -23.1852 27.437 -24.6831 30.7645 -8.91418 29.7575 -10.031 -16.9394 TIMING: 4930000 CPU: 15672.4, 0.00319147/step Wall: 15672.4, 0.00319147/step, 0.0620564 hours remaining, 238.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4930000 4018.9395 20609.1251 14433.5225 260.6702 -203360.8177 2275.4795 0.0000 0.0000 52207.0870 -109555.9939 300.0348 -161763.0809 -109199.4715 300.1594 -297.1018 -268.8407 760683.4392 0.5986 0.5209 PRESSURE: 4930200 125.367 17.3754 -182.127 17.3752 -69.3058 -49.0233 -182.127 -49.0246 10.1502 GPRESSURE: 4930200 213.309 -26.2893 -234.043 -12.494 -82.215 -127.691 -132.654 -112.705 27.8838 PRESSAVG: 4930200 44.62 11.6201 -5.91414 11.62 -65.6649 -21.6707 -5.91413 -21.6706 -5.16516 GPRESSAVG: 4930200 44.5408 10.9613 -3.62791 13.4919 -65.3019 -23.4283 -9.85017 -21.0811 -4.87034 TIMING: 4930200 CPU: 15673, 0.00319403/step Wall: 15673, 0.00319403/step, 0.0619286 hours remaining, 238.210938 MB of memory in use. ENERGY: 4930200 4055.1391 20415.8852 14504.1982 261.7303 -203519.9994 2536.8269 0.0000 0.0000 52173.2571 -109572.9626 299.8404 -161746.2198 -109199.5329 299.4395 22.0703 52.9924 758526.6949 -8.7367 -8.5438 PRESSURE: 4930400 -249.153 -107.764 -2.88346 -107.764 32.7483 139.949 -2.88347 139.95 48.79 GPRESSURE: 4930400 -260.272 -102.935 -67.5497 -100.121 66.5108 125.588 9.73283 186.911 91.3665 PRESSAVG: 4930400 15.5128 -19.3307 0.583189 -19.3308 -21.1861 2.35055 0.583228 2.35054 -7.38059 GPRESSAVG: 4930400 13.6361 -18.9963 -0.388244 -21.879 -18.8666 3.89061 -0.250384 1.65067 -7.54945 TIMING: 4930400 CPU: 15673.7, 0.00316927/step Wall: 15673.7, 0.00316927/step, 0.0612725 hours remaining, 238.210938 MB of memory in use. ENERGY: 4930400 3985.4723 20664.0072 14508.2926 240.8856 -203811.5297 2816.5498 0.0000 0.0000 52118.7270 -109477.5952 299.5270 -161596.3222 -109122.4776 299.6114 -55.8717 -34.1316 759412.7784 -4.3513 -4.2600 PRESSURE: 4930600 81.3816 -108.241 118.581 -108.241 -333.857 -250.366 118.582 -250.366 -101.672 GPRESSURE: 4930600 14.9547 -136.929 101.228 -74.5756 -168.963 -288.278 185.506 -349.811 -114.604 PRESSAVG: 4930600 9.70147 -24.5542 -5.39387 -24.5541 21.2408 -9.93202 -5.39387 -9.93207 3.5102 GPRESSAVG: 4930600 10.9306 -23.9391 -5.13781 -23.4987 20.5387 -9.89243 -3.01278 -10.155 3.2184 TIMING: 4930600 CPU: 15674.3, 0.00318993/step Wall: 15674.3, 0.00318993/step, 0.0614948 hours remaining, 238.210938 MB of memory in use. ENERGY: 4930600 4061.9366 20458.3260 14462.3377 254.5801 -203573.4741 2423.7820 0.0000 0.0000 52326.7327 -109585.7790 300.7225 -161912.5117 -109219.8424 299.6271 -118.0492 -89.5376 759476.3698 11.4841 11.5626 PRESSURE: 4930800 -157.914 125.957 -51.568 125.956 -113.083 15.607 -51.5679 15.6069 47.3994 GPRESSURE: 4930800 -82.5317 35.6281 -52.7781 141.189 -47.0926 -71.6223 -129.703 36.1329 -27.3273 PRESSAVG: 4930800 26.9605 -51.2049 -16.7389 -51.205 6.90783 -35.9186 -16.7389 -35.9187 2.78402 GPRESSAVG: 4930800 26.8415 -53.3346 -17.0238 -49.647 7.69579 -36.5531 -16.5379 -33.3728 2.47013 TIMING: 4930800 CPU: 15675, 0.00318887/step Wall: 15675, 0.00318887/step, 0.0612971 hours remaining, 238.210938 MB of memory in use. ENERGY: 4930800 4006.9076 20492.4538 14609.4861 237.8516 -203494.0763 2479.0346 0.0000 0.0000 52023.4472 -109644.8954 298.9795 -161668.3427 -109276.4502 299.1837 -74.5325 -52.3172 760695.3984 12.2174 12.3358 PRESSURE: 4931000 4.27614 -66.1943 -320.495 -66.194 -53.2918 -48.0768 -320.496 -48.0761 -229.323 GPRESSURE: 4931000 90.6747 -22.1349 -238.607 -16.0281 -138.759 -101.034 -327.731 -132.288 -149.374 PRESSAVG: 4931000 -1.74906 -40.4537 -12.4185 -40.4537 -34.4594 -57.1718 -12.4185 -57.1718 -16.9551 GPRESSAVG: 4931000 -1.51177 -39.9222 -12.018 -40.5117 -35.7424 -56.7991 -12.1588 -59.2169 -16.5138 TIMING: 4931000 CPU: 15675.6, 0.00318898/step Wall: 15675.6, 0.00318898/step, 0.0611221 hours remaining, 238.210938 MB of memory in use. ENERGY: 4931000 3961.3692 20507.3097 14542.3979 239.2620 -203572.7793 2523.5302 0.0000 0.0000 52267.8684 -109531.0419 300.3842 -161798.9103 -109168.1807 299.5806 -92.7794 -65.8194 760654.2717 -17.7212 -17.9226 PRESSURE: 4931200 331.383 -64.6429 -25.7201 -64.6437 -13.1045 -37.0171 -25.7208 -37.0168 -224.364 GPRESSURE: 4931200 280.656 -53.6194 -39.0268 -159.234 98.3108 -76.9592 -45.2126 31.392 -201.388 PRESSAVG: 4931200 53.8658 -42.8666 -60.929 -42.8665 -45.8386 -37.0955 -60.929 -37.0953 10.6864 GPRESSAVG: 4931200 54.1104 -42.3804 -61.2826 -44.0565 -45.7018 -37.7765 -61.5481 -35.4317 10.7001 TIMING: 4931200 CPU: 15676.2, 0.003176/step Wall: 15676.2, 0.003176/step, 0.060697 hours remaining, 238.210938 MB of memory in use. ENERGY: 4931200 3923.7876 20531.5355 14497.3212 229.4886 -203396.5893 2374.3760 0.0000 0.0000 52202.7096 -109637.3707 300.0097 -161840.0803 -109269.9832 299.3883 31.3047 59.1927 759769.1222 6.2379 6.3696 PRESSURE: 4931400 17.7534 -236.817 18.1718 -236.817 -296.165 0.723601 18.1713 0.723464 -548.068 GPRESSURE: 4931400 15.7159 -210.728 -23.0232 -260.969 -227.252 35.4942 14.9272 -1.57746 -522.049 PRESSAVG: 4931400 -30.2595 -48.9404 -29.528 -48.9405 13.7811 -15.841 -29.528 -15.841 32.0725 GPRESSAVG: 4931400 -31.3721 -51.8896 -28.306 -46.5111 14.3749 -15.8703 -30.3951 -15.8762 32.3379 TIMING: 4931400 CPU: 15676.9, 0.00318764/step Wall: 15676.9, 0.00318764/step, 0.0607422 hours remaining, 238.210938 MB of memory in use. ENERGY: 4931400 4019.7792 20618.4932 14500.0152 236.4958 -202985.4283 2142.9221 0.0000 0.0000 51852.5810 -109615.1418 297.9975 -161467.7227 -109261.3261 298.7670 -275.4934 -244.5285 762139.8934 5.1980 5.1136 PRESSURE: 4931600 -69.1041 -68.8912 -226.309 -68.8908 60.8405 199.436 -226.311 199.435 362.295 GPRESSURE: 4931600 2.01256 61.0287 -243.493 -42.2229 12.0989 147.927 -186.968 202.125 434.276 PRESSAVG: 4931600 -11.0559 -60.7502 5.55434 -60.7502 -48.7536 -8.16182 5.55426 -8.1619 -20.1529 GPRESSAVG: 4931600 -9.90748 -57.0952 2.72456 -62.1967 -50.5161 -8.00704 7.4624 -8.92604 -19.5562 TIMING: 4931600 CPU: 15677.5, 0.00320409/step Wall: 15677.5, 0.00320409/step, 0.0608777 hours remaining, 238.210938 MB of memory in use. ENERGY: 4931600 3968.5931 20643.2112 14556.9691 232.9253 -203801.5468 2857.4344 0.0000 0.0000 52041.6105 -109500.8031 299.0839 -161542.4136 -109139.6865 299.1477 118.0103 149.4624 760446.0275 -26.6542 -26.6599 PRESSURE: 4931800 66.2063 -301.947 -223.598 -301.945 105.946 -109.664 -223.598 -109.666 -148.396 GPRESSURE: 4931800 142.079 -318.871 -209.477 -293.643 100.619 -87.5016 -143.183 -19.7867 -102.617 PRESSAVG: 4931800 -97.288 -73.0559 16.4 -73.0559 -1.55972 -20.1204 16.4 -20.1204 -11.4399 GPRESSAVG: 4931800 -97.0421 -73.5552 18.3092 -74.1861 -1.28147 -20.4465 16.4001 -19.7996 -11.4923 TIMING: 4931800 CPU: 15678.1, 0.0032049/step Wall: 15678.1, 0.0032049/step, 0.0607151 hours remaining, 238.210938 MB of memory in use. ENERGY: 4931800 4036.4049 20657.0954 14424.7065 252.7605 -203177.8525 2443.4772 0.0000 0.0000 51867.6941 -109495.7139 298.0844 -161363.4080 -109143.7364 299.3297 7.9187 46.6936 761319.0938 -36.7625 -36.6053 PRESSURE: 4932000 -141.691 -281.651 12.4995 -281.651 -177.237 15.5544 12.4998 15.5547 -146.952 GPRESSURE: 4932000 -98.8928 -278.003 -102.652 -263.264 -159.843 35.4735 87.3155 -15.063 -127.981 PRESSAVG: 4932000 52.6497 -32.7989 -29.3143 -32.7988 -53.1334 -6.75633 -29.3143 -6.75628 -1.92906 GPRESSAVG: 4932000 51.7804 -32.1999 -27.3436 -33.0778 -52.9861 -6.43424 -32.0152 -5.20276 -1.20972 TIMING: 4932000 CPU: 15678.8, 0.00317317/step Wall: 15678.8, 0.00317317/step, 0.0599376 hours remaining, 238.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4932000 3956.5087 20567.9199 14473.2563 262.0322 -202984.7131 2306.3548 0.0000 0.0000 51852.0785 -109566.5626 297.9946 -161418.6411 -109208.4456 298.8535 -155.2934 -128.9053 760271.2204 -0.8042 -0.8051 PRESSURE: 4932200 60.8267 -161.012 -27.7732 -161.011 -236.507 58.8403 -27.7727 58.8407 250.873 GPRESSURE: 4932200 190.445 -309.327 -65.4632 -142.315 -281.825 98.4472 -45.2707 30.9664 249.64 PRESSAVG: 4932200 21.6531 -57.7752 16.8588 -57.7751 -79.1285 -24.4438 16.8588 -24.4437 20.7268 GPRESSAVG: 4932200 23.1323 -58.7538 14.882 -56.7967 -79.2707 -24.8906 18.6029 -24.9276 19.3649 TIMING: 4932200 CPU: 15679.4, 0.00321133/step Wall: 15679.4, 0.00321133/step, 0.0604801 hours remaining, 238.210938 MB of memory in use. ENERGY: 4932200 4025.2628 20629.6191 14492.9229 253.4219 -203412.7862 2434.4762 0.0000 0.0000 51986.3497 -109590.7337 298.7663 -161577.0833 -109238.3799 299.0171 25.0643 52.7535 760543.2775 -12.2495 -12.2578 LDB: ============= START OF LOAD BALANCING ============== 15691.8 LDB: ============== END OF LOAD BALANCING =============== 15691.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15691.8 LDB: ============= START OF LOAD BALANCING ============== 15692.1 LDB: Largest compute 7025 load 0.037587 is 19.2% of average load 0.196077 LDB: Average compute 0.004391 is 2.2% of average load 0.196077 LDB: TIME 15692.2 LOAD: AVG 0.196077 MAX 0.220121 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.242 MB LDB: TIME 15692.2 LOAD: AVG 0.196077 MAX 0.220121 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.242 MB LDB: TIME 15692.2 LOAD: AVG 0.196077 MAX 0.220121 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15692.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15692.2 PRESSURE: 4932400 -9.78907 98.9633 -79.3442 98.963 212.389 225.487 -79.3433 225.486 -0.484464 GPRESSURE: 4932400 115.45 78.2289 -61.8282 32.0441 150.537 226.928 -126.963 145.495 40.1539 PRESSAVG: 4932400 3.51071 -18.8961 3.88977 -18.896 -1.41452 0.274969 3.88979 0.274923 -9.93816 GPRESSAVG: 4932400 2.03529 -21.4914 2.31758 -18.6941 -0.782606 -0.555829 1.50681 -0.83958 -8.77875 TIMING: 4932400 CPU: 15680.1, 0.0032758/step Wall: 15680.1, 0.0032758/step, 0.0615123 hours remaining, 240.000000 MB of memory in use. ENERGY: 4932400 4015.0773 20414.8147 14474.2337 252.0998 -203336.5154 2688.5056 0.0000 0.0000 51782.5860 -109709.1984 297.5952 -161491.7843 -109346.8249 298.7274 67.3718 102.0469 761209.1675 -2.6140 -2.5087 PRESSURE: 4932600 104.603 -147.758 -109.488 -147.758 -50.0415 -118.496 -109.489 -118.497 -78.7482 GPRESSURE: 4932600 143.303 -216.592 -55.9144 -98.5919 -63.2699 -118.675 -60.5854 -28.4413 -2.18738 PRESSAVG: 4932600 10.0088 -5.72506 10.2312 -5.72505 -41.668 2.51807 10.2312 2.51815 18.8088 GPRESSAVG: 4932600 10.2913 -5.12047 12.8383 -5.28002 -41.7201 3.27933 11.1796 4.37081 18.7682 TIMING: 4932600 CPU: 15680.7, 0.00318882/step Wall: 15680.7, 0.00318882/step, 0.0597017 hours remaining, 240.000000 MB of memory in use. ENERGY: 4932600 3983.3180 20560.7546 14404.2282 255.3671 -203612.1748 2601.3912 0.0000 0.0000 51948.6453 -109858.4705 298.5496 -161807.1158 -109505.9397 298.1696 -8.0623 25.9485 760420.8523 -4.2835 -4.2202 PRESSURE: 4932800 -341.273 -125.437 61.7404 -125.436 -373.394 -239.802 61.7402 -239.802 -300.278 GPRESSURE: 4932800 -289.281 -67.3664 172.291 -1.30788 -302.278 -117.26 32.2602 -219.788 -346.297 PRESSAVG: 4932800 -10.6009 -14.5435 -15.1368 -14.5435 -28.787 -51.3398 -15.1368 -51.3398 -5.74335 GPRESSAVG: 4932800 -9.17678 -12.8234 -14.9968 -13.6716 -29.7555 -50.3569 -16.259 -53.5477 -6.85448 TIMING: 4932800 CPU: 15681.4, 0.00318851/step Wall: 15681.4, 0.0031885/step, 0.0595187 hours remaining, 240.000000 MB of memory in use. ENERGY: 4932800 3991.7641 20425.2219 14470.6086 234.9137 -203005.0059 2313.3591 0.0000 0.0000 51868.1994 -109700.9391 298.0873 -161569.1385 -109346.9288 298.6332 -338.3152 -312.6186 761733.6073 -15.0438 -15.2623 PRESSURE: 4933000 -110.981 167.984 -250.294 167.983 0.822523 -24.7712 -250.293 -24.7709 142.689 GPRESSURE: 4933000 18.3705 52.661 -167.987 152.044 -109.712 -27.6988 -417.72 -85.1739 194.693 PRESSAVG: 4933000 9.12682 -24.0546 -14.3584 -24.0546 -22.7986 2.7714 -14.3585 2.77145 46.7115 GPRESSAVG: 4933000 8.72553 -23.9872 -16.371 -26.9145 -22.1338 4.19398 -14.4586 2.88991 46.6949 TIMING: 4933000 CPU: 15682, 0.00318738/step Wall: 15682, 0.00318738/step, 0.0593208 hours remaining, 240.000000 MB of memory in use. ENERGY: 4933000 3969.3401 20559.9191 14388.0210 240.6606 -203736.8556 2616.4566 0.0000 0.0000 52201.0893 -109761.3688 300.0004 -161962.4581 -109393.1876 298.4300 10.8435 34.4505 761189.7063 11.0132 11.0955 PRESSURE: 4933200 268.932 79.1931 53.3843 79.1931 -311.896 -205.437 53.3845 -205.438 -212.58 GPRESSURE: 4933200 215.195 116.134 76.6794 -15.8738 -183.539 -174.393 -109.167 -5.96239 -185.488 PRESSAVG: 4933200 -1.63933 -23.3877 -22.7362 -23.3877 2.28317 -19.9186 -22.7362 -19.9185 -15.6964 GPRESSAVG: 4933200 -2.7864 -24.9647 -22.8177 -22.1362 3.38241 -18.7842 -21.7512 -19.2754 -15.6406 TIMING: 4933200 CPU: 15682.6, 0.00319015/step Wall: 15682.6, 0.00319015/step, 0.0591949 hours remaining, 240.000000 MB of memory in use. ENERGY: 4933200 3930.0050 20589.5990 14543.0870 251.7515 -203384.5950 2457.0739 0.0000 0.0000 51966.2356 -109646.8430 298.6507 -161613.0786 -109280.9462 298.3401 -85.1813 -51.2771 761672.1834 -5.0175 -5.0149 PRESSURE: 4933400 -189.482 -310.666 42.5225 -310.666 -20.0769 328.784 42.5232 328.784 3.6098 GPRESSURE: 4933400 -180.377 -264.209 -8.32051 -242.672 43.6498 358.435 101.551 139.591 14.4378 PRESSAVG: 4933400 29.6895 -5.37875 -29.4196 -5.37878 -58.5398 3.91055 -29.4197 3.91052 -11.3438 GPRESSAVG: 4933400 30.0616 -2.37579 -29.0974 -5.93706 -58.5579 3.45225 -29.7164 3.24519 -11.5003 TIMING: 4933400 CPU: 15683.3, 0.00320108/step Wall: 15683.3, 0.00320108/step, 0.05922 hours remaining, 240.000000 MB of memory in use. ENERGY: 4933400 3992.6857 20339.4670 14482.5617 274.0292 -203312.4593 2641.9187 0.0000 0.0000 51887.8826 -109693.9144 298.2004 -161581.7970 -109318.3358 299.0707 -68.6497 -40.7632 762035.9739 -13.3981 -13.3322 PRESSURE: 4933600 141.137 -257.432 -164.798 -257.432 -67.7965 279.703 -164.797 279.703 -110.42 GPRESSURE: 4933600 200.613 -87.5023 -156.779 -186.133 -69.4844 325.407 7.61502 212.722 -88.3682 PRESSAVG: 4933600 -23.9678 -45.586 -30.9674 -45.586 26.1357 7.282 -30.9675 7.28187 -16.5666 GPRESSAVG: 4933600 -24.0719 -48.0705 -29.0769 -43.4157 25.8606 4.08618 -32.0232 7.69183 -16.051 TIMING: 4933600 CPU: 15683.9, 0.00321083/step Wall: 15683.9, 0.00321083/step, 0.059222 hours remaining, 240.000000 MB of memory in use. ENERGY: 4933600 3998.7532 20526.6574 14469.8566 240.7351 -203733.9538 2568.8724 0.0000 0.0000 52157.1939 -109771.8852 299.7481 -161929.0791 -109409.5659 298.8031 -12.3598 14.2533 760466.2189 -4.7996 -4.7541 PRESSURE: 4933800 -78.3105 -40.5189 26.9407 -40.5181 11.2214 11.1906 26.9405 11.1915 170.345 GPRESSURE: 4933800 76.1348 -149.899 40.9014 -104.748 28.7744 12.9523 17.436 25.0662 89.1599 PRESSAVG: 4933800 -16.13 -65.666 -6.66364 -65.6659 29.3935 19.4411 -6.66358 19.441 11.9567 GPRESSAVG: 4933800 -17.2557 -67.404 -5.14843 -67.2453 29.6281 20.6663 -5.92301 22.5512 12.8988 TIMING: 4933800 CPU: 15684.5, 0.00319436/step Wall: 15684.5, 0.00319436/step, 0.0587408 hours remaining, 240.000000 MB of memory in use. ENERGY: 4933800 3995.6445 20513.6677 14480.2554 230.4678 -203306.8167 2493.2833 0.0000 0.0000 52024.5344 -109568.9635 298.9857 -161593.4979 -109196.3406 298.9651 34.4186 64.6897 760034.1150 8.4068 8.4237 PRESSURE: 4934000 211.926 238.89 -247.382 238.89 191.814 -223.702 -247.383 -223.702 600.459 GPRESSURE: 4934000 348.419 294.857 -226.64 75.7048 160.799 -191.477 -208.606 -307.348 592.137 PRESSAVG: 4934000 75.1992 -21.1954 -40.5188 -21.1955 -65.5977 26.405 -40.5188 26.4051 2.39187 GPRESSAVG: 4934000 75.6244 -19.4917 -42.0459 -21.7598 -65.2938 26.5443 -41.1267 23.5625 1.89191 TIMING: 4934000 CPU: 15685.2, 0.00319926/step Wall: 15685.2, 0.00319926/step, 0.0586531 hours remaining, 240.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4934000 3910.0141 20538.1305 14419.5972 246.6632 -203421.6105 2649.1717 0.0000 0.0000 51947.8533 -109710.1805 298.5450 -161658.0338 -109354.7869 299.2660 334.7329 367.1186 759942.7716 3.9978 4.0742 PRESSURE: 4934200 75.5301 -38.3089 44.2566 -38.3093 -97.8083 240.437 44.2559 240.437 -265.116 GPRESSURE: 4934200 134.602 -29.3959 64.0628 36.7568 -91.0243 326.261 94.2375 166.706 -235.939 PRESSAVG: 4934200 34.8876 -4.26801 31.7654 -4.26799 -62.0156 49.0534 31.7655 49.0534 9.59081 GPRESSAVG: 4934200 35.5935 -3.13977 31.9795 -3.60443 -62.5562 51.3311 32.4573 48.6953 9.38203 TIMING: 4934200 CPU: 15685.8, 0.00318138/step Wall: 15685.8, 0.00318138/step, 0.0581485 hours remaining, 240.000000 MB of memory in use. ENERGY: 4934200 3886.8016 20515.6927 14461.9056 248.7244 -203118.2863 2289.5074 0.0000 0.0000 52114.0324 -109601.6222 299.5001 -161715.6546 -109240.3225 298.9582 -95.7980 -64.1205 761615.1045 -5.8457 -5.8602 PRESSURE: 4934400 -125.792 -60.7566 -153.453 -60.7577 -424.788 7.95493 -153.453 7.95657 -180.237 GPRESSURE: 4934400 -58.0266 5.17118 -122.014 -4.1251 -317.571 23.1789 -180.092 -132.266 -246.671 PRESSAVG: 4934400 -11.4679 -16.2335 -24.1835 -16.2336 12.3832 -2.98401 -24.1835 -2.98405 -27.2172 GPRESSAVG: 4934400 -10.8072 -16.5537 -26.1471 -17.7747 12.2587 -4.18201 -24.2158 -2.22737 -27.6316 TIMING: 4934400 CPU: 15686.5, 0.0031884/step Wall: 15686.5, 0.0031884/step, 0.0580997 hours remaining, 240.000000 MB of memory in use. ENERGY: 4934400 3959.7912 20547.6021 14463.5414 239.3828 -203536.5527 2551.8097 0.0000 0.0000 52256.6147 -109517.8109 300.3195 -161774.4255 -109152.7486 299.6857 -243.6055 -207.4228 759718.6460 -8.7673 -8.7267 PRESSURE: 4934600 -128.961 -250.566 -49.7797 -250.566 -642.882 53.2757 -49.7787 53.2757 -382.153 GPRESSURE: 4934600 -124.162 -178.803 -35.2175 -239.022 -546.056 18.2837 55.5875 -46.8942 -380.165 PRESSAVG: 4934600 16.6013 -7.86314 -17.8166 -7.86317 0.599124 -7.57643 -17.8166 -7.57642 7.142 GPRESSAVG: 4934600 14.4283 -7.53462 -16.8441 -6.86313 1.3863 -7.31423 -18.7499 -10.4854 8.66969 TIMING: 4934600 CPU: 15687.1, 0.00318332/step Wall: 15687.1, 0.00318332/step, 0.0578303 hours remaining, 240.000000 MB of memory in use. ENERGY: 4934600 4067.8459 20537.6782 14489.1403 248.7101 -203441.8065 2541.2006 0.0000 0.0000 52023.7572 -109533.4742 298.9812 -161557.2315 -109160.2146 299.7870 -384.6654 -350.1278 761074.0582 8.1142 8.1614 PRESSURE: 4934800 172.733 51.4716 150.989 51.4718 57.7942 -19.8562 150.988 -19.8568 122.537 GPRESSURE: 4934800 291.568 5.10886 92.7652 37.865 77.76 53.0147 94.1787 114.805 57.2062 PRESSAVG: 4934800 47.7073 6.28317 5.0108 6.28321 -17.4236 -2.04335 5.01084 -2.0434 2.39251 GPRESSAVG: 4934800 48.1358 3.29577 6.71855 6.67142 -18.352 -1.37819 3.67429 0.5213 2.51339 TIMING: 4934800 CPU: 15687.7, 0.00320538/step Wall: 15687.7, 0.00320538/step, 0.0580531 hours remaining, 240.000000 MB of memory in use. ENERGY: 4934800 4009.4330 20678.7764 14495.4728 226.5616 -203168.3018 2262.5096 0.0000 0.0000 52049.5867 -109445.9617 299.1297 -161495.5483 -109085.0471 299.8147 117.6880 142.1780 761069.2749 10.8921 10.7657 PRESSURE: 4935000 14.559 -99.0609 -40.826 -99.0598 -142.77 -135.167 -40.8254 -135.167 49.6192 GPRESSURE: 4935000 93.8819 -123.075 3.66105 -89.6436 -102.592 -75.0972 -53.1191 -77.9634 23.1775 PRESSAVG: 4935000 50.8666 -43.6224 36.7415 -43.6224 -31.0492 23.6155 36.7415 23.6156 14.5392 GPRESSAVG: 4935000 51.1857 -41.9991 34.2782 -43.8897 -30.0301 22.3285 38.2854 24.3977 13.2533 TIMING: 4935000 CPU: 15688.4, 0.0032112/step Wall: 15688.4, 0.00321121/step, 0.0579801 hours remaining, 240.000000 MB of memory in use. ENERGY: 4935000 3987.0294 20494.3731 14405.7352 258.8539 -203813.7892 2571.4987 0.0000 0.0000 52358.9077 -109737.3912 300.9074 -162096.2989 -109377.9300 299.2098 -26.1974 4.8226 758071.7167 11.4522 11.4696 PRESSURE: 4935200 -384.119 -74.9157 -188.425 -74.915 -379.947 -23.901 -188.425 -23.901 -276.585 GPRESSURE: 4935200 -319.559 -41.9113 -177.635 -69.2743 -342.032 -4.63132 -6.77827 -149.113 -296.465 PRESSAVG: 4935200 21.0233 -31.9158 0.864532 -31.9158 -51.1898 -2.43541 0.864502 -2.4355 -6.60956 GPRESSAVG: 4935200 20.4094 -30.6331 1.15821 -31.5863 -52.0044 -1.58289 1.59796 -4.27949 -5.43093 TIMING: 4935200 CPU: 15689, 0.00320771/step Wall: 15689, 0.00320771/step, 0.0577388 hours remaining, 240.000000 MB of memory in use. ENERGY: 4935200 3997.3915 20685.6591 14373.1765 228.3521 -203515.6346 2295.0132 0.0000 0.0000 51803.8664 -110132.1758 297.7175 -161936.0422 -109775.4989 298.3874 -346.8838 -319.3519 759493.4434 -12.2587 -12.3420 PRESSURE: 4935400 -96.557 -14.7571 -85.7956 -14.7561 101.302 -52.8155 -85.7965 -52.8149 228.155 GPRESSURE: 4935400 22.0299 -55.6526 -87.5206 -55.5242 151.962 49.5562 -103.782 -13.3442 147.954 PRESSAVG: 4935400 82.7729 -13.6896 -38.2154 -13.6896 -27.5258 -27.377 -38.2153 -27.377 2.85749 GPRESSAVG: 4935400 83.3446 -15.8356 -36.6063 -13.5191 -27.6883 -26.5139 -39.9534 -27.3496 2.18669 TIMING: 4935400 CPU: 15689.7, 0.0031885/step Wall: 15689.7, 0.0031885/step, 0.0572158 hours remaining, 240.000000 MB of memory in use. ENERGY: 4935400 3906.9433 20499.8094 14578.7893 259.8751 -203235.0502 2347.8026 0.0000 0.0000 51621.2673 -110020.5633 296.6681 -161641.8306 -109644.8808 298.0789 77.6334 107.3155 758958.8089 19.3682 19.2810 PRESSURE: 4935600 -416.529 12.7307 -18.0247 12.7305 -103.777 134.892 -18.0249 134.893 -440.296 GPRESSURE: 4935600 -363.955 -22.9564 -73.6526 -103.105 -82.9599 89.5903 24.3478 207.48 -444.429 PRESSAVG: 4935600 41.2296 -46.6857 -36.0248 -46.6857 -37.1663 -23.1059 -36.0249 -23.1059 -14.7507 GPRESSAVG: 4935600 41.4649 -47.2346 -37.0186 -47.3831 -36.9667 -23.7812 -35.3056 -21.1194 -14.6394 TIMING: 4935600 CPU: 15690.3, 0.00315022/step Wall: 15690.3, 0.00315022/step, 0.0563539 hours remaining, 240.000000 MB of memory in use. ENERGY: 4935600 4047.5319 20560.3778 14464.4443 235.2144 -203241.9077 2095.6761 0.0000 0.0000 51915.2579 -109923.4054 298.3577 -161838.6633 -109567.2683 298.6673 -320.2007 -297.1145 761084.7562 -3.5625 -3.3804 PRESSURE: 4935800 104.55 -237.85 60.4728 -237.851 482.418 -39.0961 60.4724 -39.0963 23.7852 GPRESSURE: 4935800 126.325 -198.527 75.2732 -229.564 507.579 16.735 17.2514 -27.3105 51.0132 PRESSAVG: 4935800 21.4623 -64.5173 5.18669 -64.5173 -10.2925 -5.64663 5.18675 -5.64654 -23.4418 GPRESSAVG: 4935800 20.5386 -65.821 6.4088 -63.0841 -9.10748 -5.15459 5.66916 -5.90054 -24.132 TIMING: 4935800 CPU: 15690.9, 0.00314621/step Wall: 15690.9, 0.00314621/step, 0.0561074 hours remaining, 240.000000 MB of memory in use. ENERGY: 4935800 3993.6163 20462.9836 14502.6759 237.9588 -203886.3596 2633.5448 0.0000 0.0000 51973.4333 -110082.1469 298.6920 -162055.5802 -109722.2139 298.4523 203.5844 228.3058 757387.3544 -4.0907 -4.2336 PRESSURE: 4936000 127.771 -85.6198 -136.517 -85.6195 -113.862 -87.1789 -136.516 -87.1794 291.758 GPRESSURE: 4936000 157.167 -95.9646 -119.313 -115.641 -27.0997 -47.8467 -143.276 -39.4974 274.028 PRESSAVG: 4936000 31.7515 -62.4882 -43.8034 -62.4882 1.97359 -12.0046 -43.8034 -12.0046 -9.36056 GPRESSAVG: 4936000 31.1905 -59.841 -44.7939 -62.8491 1.4812 -11.9932 -42.1422 -12.3877 -8.63391 TIMING: 4936000 CPU: 15691.6, 0.0031673/step Wall: 15691.6, 0.0031673/step, 0.0563075 hours remaining, 240.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4936000 3963.7863 20631.3867 14442.5751 254.7370 -203981.2545 2754.5380 0.0000 0.0000 51776.2677 -110157.9638 297.5589 -161934.2315 -109794.6879 298.0866 101.8887 134.6986 759535.2192 8.1215 8.0126 PRESSURE: 4936200 -347.993 24.4239 30.5796 24.4248 -210.921 101.927 30.5796 101.927 -284.817 GPRESSURE: 4936200 -330.923 -59.9188 7.09626 114.336 -189.307 25.2858 -49.5535 56.4045 -258.199 PRESSAVG: 4936200 26.5092 -58.2433 9.56235 -58.2433 -22.8394 -36.1295 9.56233 -36.1295 -20.5433 GPRESSAVG: 4936200 26.6376 -58.5598 9.46545 -57.4744 -23.6569 -36.1971 7.68463 -35.8356 -19.7207 TIMING: 4936200 CPU: 15692.2, 0.00317646/step Wall: 15692.2, 0.00317646/step, 0.056294 hours remaining, 240.000000 MB of memory in use. ENERGY: 4936200 4080.8177 20437.2317 14429.4208 253.7695 -203385.2060 2210.2672 0.0000 0.0000 52069.2555 -109904.4437 299.2427 -161973.6992 -109542.1612 298.2212 -281.2438 -259.4763 760862.0240 -5.6245 -5.5800 LDB: ============= START OF LOAD BALANCING ============== 15704.6 LDB: ============== END OF LOAD BALANCING =============== 15704.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15704.6 LDB: ============= START OF LOAD BALANCING ============== 15704.9 LDB: Largest compute 7073 load 0.033142 is 16.9% of average load 0.196080 LDB: Average compute 0.004394 is 2.2% of average load 0.196080 LDB: TIME 15704.9 LOAD: AVG 0.19608 MAX 0.225458 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 15704.9 LOAD: AVG 0.19608 MAX 0.225458 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 15704.9 LOAD: AVG 0.19608 MAX 0.225458 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 15704.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15704.9 PRESSURE: 4936400 -148.351 -124.108 -129.197 -124.108 -310.319 -269.293 -129.198 -269.292 -180.193 GPRESSURE: 4936400 -75.2776 -46.948 -105.866 -184.755 -314.007 -182.938 -43.2356 -320.289 -160.283 PRESSAVG: 4936400 55.3217 -53.9106 -18.8012 -53.9106 -79.128 -50.8 -18.8012 -50.8 1.19862 GPRESSAVG: 4936400 55.7882 -55.1322 -17.9728 -54.5308 -78.3445 -50.7391 -16.7447 -50.8151 -0.170777 TIMING: 4936400 CPU: 15692.8, 0.00323382/step Wall: 15692.8, 0.00323382/step, 0.0571308 hours remaining, 237.332031 MB of memory in use. ENERGY: 4936400 4024.0425 20653.1354 14494.4455 253.7485 -203523.1086 2300.7618 0.0000 0.0000 51886.1021 -109910.8727 298.1901 -161796.9749 -109544.0857 298.5969 -212.9542 -183.1891 758669.2621 -7.5359 -7.5757 PRESSURE: 4936600 140.686 -23.6257 226.467 -23.6253 -4.35346 28.5965 226.467 28.5965 172.319 GPRESSURE: 4936600 153.63 -21.394 289.382 25.893 97.2192 34.8636 117.483 -80.4827 151.462 PRESSAVG: 4936600 68.5126 -6.46534 34.724 -6.46534 -62.3503 -29.8955 34.724 -29.8955 7.06799 GPRESSAVG: 4936600 67.2588 -5.04215 33.9587 -5.69209 -62.0026 -31.834 33.4425 -31.7443 7.05655 TIMING: 4936600 CPU: 15693.5, 0.0031672/step Wall: 15693.5, 0.0031672/step, 0.0557778 hours remaining, 237.332031 MB of memory in use. ENERGY: 4936600 4009.4572 20487.3496 14425.5764 245.0158 -203618.1708 2544.5187 0.0000 0.0000 52023.4216 -109882.8315 298.9793 -161906.2531 -109520.5632 298.1476 102.8837 134.1038 759475.8305 4.4101 4.1042 PRESSURE: 4936800 21.73 -126.096 -6.82279 -126.095 199.785 -81.6922 -6.82377 -81.693 -69.1689 GPRESSURE: 4936800 97.9781 -102.267 -50.2128 -120.035 186.53 -202.842 30.3696 -68.2402 -44.6136 PRESSAVG: 4936800 30.9645 25.7642 -18.466 25.7641 -24.9974 0.315781 -18.466 0.315801 7.40647 GPRESSAVG: 4936800 31.9564 22.9958 -19.1112 25.4126 -24.8934 1.27074 -21.0353 0.39004 6.52184 TIMING: 4936800 CPU: 15694.1, 0.00318576/step Wall: 15694.1, 0.00318576/step, 0.0559278 hours remaining, 237.332031 MB of memory in use. ENERGY: 4936800 3970.2972 20493.1466 14442.6423 256.4852 -203238.4254 2369.8684 0.0000 0.0000 52034.2590 -109671.7266 299.0416 -161705.9857 -109309.7119 298.9610 50.7820 79.9649 760256.6908 4.4579 4.5283 PRESSURE: 4937000 -187.62 19.2135 -116.156 19.214 -349.823 139.501 -116.156 139.503 97.0641 GPRESSURE: 4937000 -135.125 -1.1871 -123.476 -94.5672 -343.633 162.445 -127.032 260.207 110.408 PRESSAVG: 4937000 23.025 -11.71 -53.4731 -11.7101 -71.6395 -0.00740397 -53.4732 -0.00743077 -8.51837 GPRESSAVG: 4937000 23.0226 -8.56938 -53.5623 -13.2758 -72.4025 -0.326269 -51.8268 4.28037 -7.58778 TIMING: 4937000 CPU: 15694.7, 0.00319816/step Wall: 15694.7, 0.00319816/step, 0.0559678 hours remaining, 237.332031 MB of memory in use. ENERGY: 4937000 4004.5487 20598.4629 14425.0708 233.3559 -202818.1391 2082.6653 0.0000 0.0000 52062.2402 -109411.7954 299.2024 -161474.0356 -109044.9237 299.2481 -146.7929 -122.7835 761772.1818 -19.0443 -18.9892 PRESSURE: 4937200 183.667 -89.8292 10.9892 -89.8286 -58.3268 -25.8481 10.9885 -25.8485 5.62017 GPRESSURE: 4937200 151.216 -213.739 12.4102 -69.7958 -10.5455 14.4574 -18.5254 55.6412 61.967 PRESSAVG: 4937200 7.18049 42.982 -67.8071 42.9819 -17.8244 20.4138 -67.8071 20.4139 -11.4343 GPRESSAVG: 4937200 7.15338 41.0969 -65.4891 43.5742 -17.4063 20.2544 -68.2187 19.7276 -11.5914 TIMING: 4937200 CPU: 15695.4, 0.00318612/step Wall: 15695.4, 0.00318612/step, 0.0555801 hours remaining, 237.332031 MB of memory in use. ENERGY: 4937200 3966.1995 20603.7054 14430.7690 239.8507 -203696.6939 2777.1559 0.0000 0.0000 52237.7677 -109441.2457 300.2112 -161679.0134 -109090.8245 299.9319 43.6533 67.5460 759671.2393 -7.3594 -7.2814 PRESSURE: 4937400 246.364 -156.35 -18.8818 -156.35 -102.595 -151.205 -18.8822 -151.205 297.24 GPRESSURE: 4937400 295.027 -155.769 -120.191 -236.506 -84.9138 -61.6349 33.5656 -67.432 308.073 PRESSAVG: 4937400 18.2316 4.12652 -40.4145 4.12644 -32.0533 -13.3777 -40.4145 -13.3777 -0.432091 GPRESSAVG: 4937400 18.2818 6.06385 -42.4136 3.62228 -33.1473 -13.6217 -38.9525 -13.4408 0.344796 TIMING: 4937400 CPU: 15696, 0.0031756/step Wall: 15696, 0.0031756/step, 0.0552201 hours remaining, 237.332031 MB of memory in use. ENERGY: 4937400 3926.1693 20695.1302 14396.9605 244.2068 -203139.0965 2333.3006 0.0000 0.0000 52095.5310 -109447.7981 299.3937 -161543.3291 -109080.7890 299.5492 147.0034 172.7288 759808.3446 -4.7513 -4.8402 PRESSURE: 4937600 -97.3737 -171.633 162.854 -171.633 -244.476 -154.596 162.853 -154.597 -24.9238 GPRESSURE: 4937600 -76.7289 -16.9348 244.654 -137.655 -212.331 -141.217 21.3317 -62.0057 32.1582 PRESSAVG: 4937600 52.7819 -35.1947 -46.2798 -35.1946 8.71582 -26.1669 -46.2798 -26.1669 29.4442 GPRESSAVG: 4937600 53.2027 -35.9566 -44.4882 -34.5163 7.56269 -25.1648 -48.0622 -28.2962 30.1374 TIMING: 4937600 CPU: 15696.7, 0.00316841/step Wall: 15696.7, 0.0031684/step, 0.054919 hours remaining, 237.332031 MB of memory in use. ENERGY: 4937600 3911.0313 20564.5656 14443.9812 246.1972 -203061.5891 2212.7057 0.0000 0.0000 52225.9314 -109457.1767 300.1431 -161683.1081 -109096.1585 299.7742 -122.2579 -85.6338 761792.8790 30.3140 30.3009 PRESSURE: 4937800 180.74 -42.407 63.7896 -42.4076 -31.3071 -204.106 63.7898 -204.106 307.093 GPRESSURE: 4937800 186.603 -48.8878 -29.4896 -53.787 76.6914 -211.413 104.142 -113.46 288.042 PRESSAVG: 4937800 50.1664 -19.9302 -17.2676 -19.9301 -6.39604 -63.631 -17.2676 -63.6311 15.4698 GPRESSAVG: 4937800 48.9062 -20.9554 -17.8237 -20.1656 -4.65632 -64.1318 -16.5235 -62.2377 14.2538 TIMING: 4937800 CPU: 15697.3, 0.00317394/step Wall: 15697.3, 0.00317394/step, 0.0548386 hours remaining, 237.332031 MB of memory in use. ENERGY: 4937800 4055.4402 20464.6722 14532.6559 247.6684 -203272.1119 2595.7594 0.0000 0.0000 52189.8866 -109186.0292 299.9360 -161375.9157 -108821.0883 299.7488 152.1752 183.7788 758899.2343 19.7467 19.5012 PRESSURE: 4938000 132.135 -195.324 -217.841 -195.324 -23.3986 -4.00627 -217.841 -4.00528 633.576 GPRESSURE: 4938000 88.0752 -163.559 -130.784 -147.784 119.465 38.1371 -411.704 18.6642 625.929 PRESSAVG: 4938000 59.1351 -0.919472 -14.0851 -0.919465 -49.9066 -13.7168 -14.0851 -13.7168 -1.6921 GPRESSAVG: 4938000 58.8815 -0.897028 -14.0022 -0.313849 -49.7811 -13.6216 -15.4843 -15.554 -1.90124 TIMING: 4938000 CPU: 15697.9, 0.00316014/step Wall: 15697.9, 0.00316014/step, 0.0544246 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4938000 3928.3576 20397.2833 14512.9758 254.3697 -203087.7519 2546.0521 0.0000 0.0000 52227.7120 -109221.0014 300.1534 -161448.7134 -108858.9540 299.9997 247.4375 277.8233 760349.7923 2.5121 2.3997 PRESSURE: 4938200 -3.39623 -11.5223 -18.1758 -11.5223 -1.09423 -30.9592 -18.1757 -30.9593 2.63607 GPRESSURE: 4938200 77.2343 30.8339 21.3144 -34.2569 -51.1499 7.79366 25.8429 75.2919 45.8292 PRESSAVG: 4938200 -27.4078 12.7149 -24.2845 12.7149 -2.4593 -0.619978 -24.2844 -0.619976 -6.06184 GPRESSAVG: 4938200 -26.5177 13.3787 -25.8211 11.966 -3.516 -1.7526 -22.9385 -0.110113 -6.1814 TIMING: 4938200 CPU: 15698.6, 0.00317531/step Wall: 15698.6, 0.00317531/step, 0.0545095 hours remaining, 237.332031 MB of memory in use. ENERGY: 4938200 3981.5847 20541.3892 14482.8590 273.9549 -203421.9627 2708.9345 0.0000 0.0000 52255.9724 -109177.2680 300.3158 -161433.2404 -108815.1872 299.5831 -0.6181 23.9712 762176.8398 -11.9763 -12.0717 PRESSURE: 4938400 -147.356 -33.4344 -174.637 -33.4343 56.7652 -31.0919 -174.636 -31.0925 -190.604 GPRESSURE: 4938400 -160.962 -68.9294 -218.423 -65.1962 56.5047 9.74404 38.0336 -21.8518 -111.446 PRESSAVG: 4938400 -37.5988 6.63119 -31.1586 6.63127 34.4704 -6.67738 -31.1586 -6.67736 35.3659 GPRESSAVG: 4938400 -37.5944 5.96348 -29.8707 6.92698 33.7902 -4.92465 -29.8722 -6.65683 36.1727 TIMING: 4938400 CPU: 15699.2, 0.00316689/step Wall: 15699.2, 0.00316688/step, 0.0541889 hours remaining, 237.332031 MB of memory in use. ENERGY: 4938400 3995.2168 20582.1710 14506.9600 261.5367 -202979.4648 2363.6459 0.0000 0.0000 52103.9456 -109165.9888 299.4421 -161269.9344 -108808.2580 299.9878 -93.7316 -71.9679 763684.4058 10.7458 10.7895 PRESSURE: 4938600 84.8554 -136.496 -44.9144 -136.495 -373.348 -129.946 -44.9134 -129.947 -249.692 GPRESSURE: 4938600 37.0781 -14.5806 12.1671 -218.795 -226.304 -101.332 -165.337 77.1996 -246.275 PRESSAVG: 4938600 15.6709 -10.268 -44.449 -10.2681 -1.40801 4.63844 -44.449 4.63844 19.3689 GPRESSAVG: 4938600 15.4875 -9.29352 -44.7808 -9.91231 -0.601779 3.87217 -46.1707 7.89283 18.6481 TIMING: 4938600 CPU: 15699.8, 0.00315774/step Wall: 15699.8, 0.00315774/step, 0.053857 hours remaining, 237.332031 MB of memory in use. ENERGY: 4938600 4010.4072 20609.2266 14503.7749 259.7032 -203126.1610 2655.7673 0.0000 0.0000 51782.3354 -109304.9464 297.5938 -161087.2818 -108942.9924 299.3705 -179.3951 -145.1669 763961.5515 11.2106 11.1780 PRESSURE: 4938800 -10.9903 4.4327 -230.318 4.43374 62.7816 6.61858 -230.319 6.61769 -33.5963 GPRESSURE: 4938800 -1.13921 61.46 -291.833 134.327 44.5107 5.9862 -146.22 -22.1507 65.3265 PRESSAVG: 4938800 29.4579 -11.7081 -34.9066 -11.708 -36.1147 4.19653 -34.9066 4.19652 38.0317 GPRESSAVG: 4938800 29.2815 -11.342 -36.3782 -11.8372 -36.322 4.11135 -33.9138 2.79173 38.3373 TIMING: 4938800 CPU: 15700.5, 0.00316197/step Wall: 15700.5, 0.00316197/step, 0.0537535 hours remaining, 237.332031 MB of memory in use. ENERGY: 4938800 4004.4801 20440.3466 14449.3587 241.3846 -203138.0626 2502.5310 0.0000 0.0000 52191.6376 -109308.3240 299.9461 -161499.9616 -108946.4862 299.6395 6.0650 36.2327 762894.9771 10.4583 10.4323 PRESSURE: 4939000 -9.7016 131.834 238.522 131.833 188.06 275.828 238.522 275.827 193.677 GPRESSURE: 4939000 -26.7715 233.366 178.398 117.231 298.093 310.161 229.386 292.254 170.495 PRESSAVG: 4939000 16.0428 -1.69728 15.7301 -1.69719 -6.12141 1.11959 15.7301 1.11962 10.9569 GPRESSAVG: 4939000 15.7438 -1.21528 17.4097 -1.75825 -5.32556 -0.14887 14.7822 0.974611 10.5052 TIMING: 4939000 CPU: 15701.1, 0.00319866/step Wall: 15701.1, 0.00319866/step, 0.0541995 hours remaining, 237.332031 MB of memory in use. ENERGY: 4939000 3946.5853 20428.6030 14468.6971 237.1005 -203502.4383 2612.8846 0.0000 0.0000 52360.1193 -109448.4486 300.9143 -161808.5679 -109092.6970 299.5107 124.0118 147.2723 760786.0561 6.9594 6.9745 PRESSURE: 4939200 -181.896 -52.0191 67.948 -52.0183 -242.779 39.5203 67.9482 39.5205 95.8691 GPRESSURE: 4939200 -121.833 -59.1104 95.6157 -52.9662 -169.889 125.991 -43.5711 122.074 56.3687 PRESSAVG: 4939200 13.9089 23.7207 7.43779 23.7207 29.4626 34.3658 7.43774 34.3658 -10.9006 GPRESSAVG: 4939200 15.1121 21.8949 8.35599 24.128 29.6447 35.0184 7.50031 35.1875 -11.5473 TIMING: 4939200 CPU: 15701.7, 0.00319652/step Wall: 15701.7, 0.00319652/step, 0.0539856 hours remaining, 237.332031 MB of memory in use. ENERGY: 4939200 4013.2732 20475.6155 14422.7760 277.8166 -202855.5227 2230.7929 0.0000 0.0000 52123.7768 -109311.4717 299.5561 -161435.2485 -108946.9395 299.6282 -109.6021 -78.4510 762003.4870 10.8236 11.0698 PRESSURE: 4939400 243.255 156.678 215.473 156.678 195.989 -186.106 215.473 -186.105 357.622 GPRESSURE: 4939400 237.432 154.616 152.029 140.935 232.081 -133.54 115.43 -188.093 396.363 PRESSAVG: 4939400 -68.9863 -36.501 32.8507 -36.5009 14.2585 31.525 32.8507 31.525 7.79314 GPRESSAVG: 4939400 -69.4764 -36.0027 31.8076 -36.9031 14.0434 32.5929 33.4843 29.9389 8.50563 TIMING: 4939400 CPU: 15702.4, 0.00318623/step Wall: 15702.4, 0.00318623/step, 0.0536349 hours remaining, 237.332031 MB of memory in use. ENERGY: 4939400 3965.5251 20560.5720 14470.7740 248.0496 -203226.3922 2546.0274 0.0000 0.0000 52193.1145 -109242.3297 299.9545 -161435.4441 -108872.7066 299.5450 265.6219 288.6251 760526.8000 -15.6449 -15.6425 PRESSURE: 4939600 289.272 -323.184 -82.1885 -323.185 41.6879 112.295 -82.1885 112.295 49.9598 GPRESSURE: 4939600 330.093 -198.124 -117.179 -249.575 56.2702 35.2833 -13.4676 129.542 74.0824 PRESSAVG: 4939600 44.0584 -78.4886 17.7776 -78.4886 -36.472 33.1042 17.7776 33.1043 -3.64316 GPRESSAVG: 4939600 44.4763 -76.9273 17.2737 -79.2111 -37.5078 31.9339 17.8784 32.6767 -3.14653 TIMING: 4939600 CPU: 15703, 0.00316418/step Wall: 15703, 0.00316418/step, 0.0530879 hours remaining, 237.332031 MB of memory in use. ENERGY: 4939600 3966.9410 20514.5395 14325.3240 241.4714 -203495.3320 2795.4247 0.0000 0.0000 52238.7197 -109412.9116 300.2166 -161651.6313 -109036.8836 298.8703 126.9732 153.4819 760923.1293 1.3144 1.2740 PRESSURE: 4939800 -244.192 28.1773 -83.0443 28.1764 -176.987 7.98143 -83.0441 7.98016 98.46 GPRESSURE: 4939800 -181.612 -53.5664 -41.2933 38.1435 -130.634 -44.2003 94.5452 33.0067 91.1023 PRESSAVG: 4939800 27.8919 -43.3797 16.6633 -43.3797 -29.5768 -59.5224 16.6633 -59.5224 8.06295 GPRESSAVG: 4939800 28.4708 -44.2467 15.6521 -43.0907 -29.8566 -58.9848 16.9502 -58.5134 7.48255 TIMING: 4939800 CPU: 15703.6, 0.0031707/step Wall: 15703.6, 0.0031707/step, 0.0530211 hours remaining, 237.332031 MB of memory in use. ENERGY: 4939800 4058.4326 20438.4569 14418.3807 267.4497 -202946.9513 2443.6487 0.0000 0.0000 51906.2598 -109414.3229 298.3060 -161320.5827 -109056.6063 299.2270 -107.5730 -73.7146 761996.5582 2.1260 2.0323 PRESSURE: 4940000 176.253 -29.4533 0.818919 -29.4534 25.2441 137.646 0.818198 137.647 -159.923 GPRESSURE: 4940000 186.741 -73.7356 30.1164 63.6385 47.313 44.2354 -153.739 -0.703489 -107.018 PRESSAVG: 4940000 -28.8693 -23.0909 34.0221 -23.0909 -5.85038 -30.9955 34.0221 -30.9956 12.987 GPRESSAVG: 4940000 -29.7774 -25.5413 36.493 -21.8887 -5.39677 -31.5505 32.9318 -32.9966 13.0833 TIMING: 4940000 CPU: 15704.3, 0.00316699/step Wall: 15704.3, 0.00316699/step, 0.0527832 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4940000 4017.2898 20681.6275 14476.0941 260.7902 -203275.1798 2551.6677 0.0000 0.0000 51946.7270 -109340.9834 298.5386 -161287.7104 -108990.0869 298.6392 13.8580 42.3453 761244.4436 -7.2442 -7.3636 PRESSURE: 4940200 174.798 -51.5811 140.352 -51.583 -503.33 -155.592 140.352 -155.592 -14.059 GPRESSURE: 4940200 147.397 86.1705 173.35 -100.663 -367.077 -33.9604 86.3194 -99.2416 -25.0269 PRESSAVG: 4940200 3.7614 -31.251 11.9595 -31.2511 -6.70755 15.9625 11.9596 15.9625 -17.4782 GPRESSAVG: 4940200 3.73392 -27.2989 9.92026 -31.3407 -7.10794 16.0472 11.8168 17.4351 -17.1033 TIMING: 4940200 CPU: 15704.9, 0.00314994/step Wall: 15704.9, 0.00314994/step, 0.052324 hours remaining, 237.332031 MB of memory in use. ENERGY: 4940200 3972.3408 20499.7024 14435.5124 238.8468 -203164.1450 2424.0681 0.0000 0.0000 52315.0521 -109278.6224 300.6553 -161593.6745 -108905.9003 299.2179 -114.1972 -81.5690 760241.2855 -6.8081 -6.8258 LDB: ============= START OF LOAD BALANCING ============== 15717.3 LDB: ============== END OF LOAD BALANCING =============== 15717.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15717.3 LDB: ============= START OF LOAD BALANCING ============== 15717.6 LDB: Largest compute 7047 load 0.033942 is 17.3% of average load 0.195977 LDB: Average compute 0.004404 is 2.2% of average load 0.195977 LDB: TIME 15717.6 LOAD: AVG 0.195977 MAX 0.214772 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.867 MB LDB: TIME 15717.6 LOAD: AVG 0.195977 MAX 0.214772 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: TIME 15717.6 LOAD: AVG 0.195977 MAX 0.214772 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15717.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15717.6 PRESSURE: 4940400 -53.5504 20.7004 0.319093 20.7001 -30.3323 230.583 0.318676 230.582 595.147 GPRESSURE: 4940400 20.9878 -37.5715 -18.9236 127.014 -59.3742 201.073 38.4006 209.722 642.071 PRESSAVG: 4940400 -41.4454 -44.3895 -38.5957 -44.3895 -5.15272 -6.6065 -38.5956 -6.60645 8.70962 GPRESSAVG: 4940400 -41.468 -46.5439 -37.875 -45.3985 -5.58992 -5.32319 -38.4574 -6.55727 8.55723 TIMING: 4940400 CPU: 15705.5, 0.00325388/step Wall: 15705.5, 0.00325388/step, 0.0538699 hours remaining, 237.332031 MB of memory in use. ENERGY: 4940400 3984.6283 20665.8520 14410.8314 242.1987 -203485.4797 2648.1166 0.0000 0.0000 52120.9984 -109412.8542 299.5401 -161533.8526 -109057.1222 299.4333 170.4214 201.2281 762688.3027 -12.6295 -12.8336 PRESSURE: 4940600 85.9294 -226.661 -102.797 -226.662 165.827 -74.0846 -102.797 -74.0844 71.8966 GPRESSURE: 4940600 76.7943 -165.26 -125.003 -307.371 140.698 -159.38 -96.6107 124.554 184.479 PRESSAVG: 4940600 -18.8673 -15.4583 -7.49095 -15.4582 11.2364 -2.11175 -7.49087 -2.11177 29.5805 GPRESSAVG: 4940600 -18.7963 -15.7479 -6.45151 -16.2067 11.0816 -3.55069 -9.17583 -1.28249 29.4053 TIMING: 4940600 CPU: 15706.2, 0.00319328/step Wall: 15706.2, 0.00319328/step, 0.0526891 hours remaining, 237.332031 MB of memory in use. ENERGY: 4940600 3925.8810 20497.5353 14476.7614 227.9683 -203482.2194 2850.3751 0.0000 0.0000 52037.1459 -109466.5525 299.0582 -161503.6983 -109098.1193 298.6394 107.8844 133.9905 761573.1832 7.3165 7.2302 PRESSURE: 4940800 78.7175 -201.666 44.2708 -201.667 230.19 -49.6873 44.2713 -49.6874 -17.1859 GPRESSURE: 4940800 80.0393 -247.036 0.434762 -199.781 227.591 19.1456 -80.4153 -19.0983 66.2872 PRESSAVG: 4940800 -18.8008 -31.5644 -39.7861 -31.5644 45.9918 -27.314 -39.7861 -27.314 12.4977 GPRESSAVG: 4940800 -17.6589 -31.2836 -40.7997 -31.1472 45.1672 -24.0934 -39.4383 -27.6347 12.4479 TIMING: 4940800 CPU: 15706.8, 0.00319708/step Wall: 15706.8, 0.00319708/step, 0.0525742 hours remaining, 237.332031 MB of memory in use. ENERGY: 4940800 3968.3228 20642.6715 14419.9382 254.1866 -203561.5687 2742.7743 0.0000 0.0000 51987.9360 -109545.7393 298.7754 -161533.6753 -109183.0120 298.5862 97.2405 124.6391 761875.1310 13.2296 13.3187 PRESSURE: 4941000 -74.2496 -142.114 12.146 -142.114 285.029 93.3891 12.1465 93.3886 -266.313 GPRESSURE: 4941000 21.2804 -236.896 88.0168 -235.237 220.288 106.226 -76.7705 140.186 -208.054 PRESSAVG: 4941000 24.2644 -72.9363 42.3782 -72.9363 -33.4919 1.90958 42.3782 1.90953 24.9325 GPRESSAVG: 4941000 23.3524 -72.5858 44.0205 -73.4018 -30.628 0.474798 43.6032 1.63352 23.268 TIMING: 4941000 CPU: 15707.5, 0.00321802/step Wall: 15707.5, 0.00321802/step, 0.0527398 hours remaining, 237.332031 MB of memory in use. ENERGY: 4941000 3968.3975 20531.9020 14431.6427 260.4064 -203044.6097 2544.5293 0.0000 0.0000 51935.9156 -109371.8162 298.4764 -161307.7318 -109019.9736 299.0531 -18.5113 11.1714 761670.7886 5.2350 5.3308 PRESSURE: 4941200 -194.384 129.265 -45.6942 129.266 -245.924 53.3858 -45.694 53.3859 -399.77 GPRESSURE: 4941200 -187.901 205.132 -44.8444 60.0619 -191.355 57.2712 -104.344 -19.5239 -370.728 PRESSAVG: 4941200 28.2003 -1.58585 55.4262 -1.58589 -63.5966 -18.093 55.4262 -18.093 -3.40321 GPRESSAVG: 4941200 28.4017 -2.66426 54.5356 -0.394178 -64.8836 -17.492 54.2577 -18.826 -2.3239 TIMING: 4941200 CPU: 15708.1, 0.00316087/step Wall: 15708.1, 0.00316087/step, 0.0516276 hours remaining, 237.332031 MB of memory in use. ENERGY: 4941200 4035.5544 20314.7628 14467.4762 266.3134 -203165.1299 2479.1955 0.0000 0.0000 52101.7686 -109500.0590 299.4296 -161601.8277 -109134.5825 298.9279 -280.0257 -249.9945 760084.8086 -12.9332 -12.9353 PRESSURE: 4941400 -347.595 89.1582 152.403 89.1588 -14.6132 -85.1785 152.402 -85.1775 -120.461 GPRESSURE: 4941400 -345.518 89.0737 140.358 24.8665 47.1837 -133.103 89.0132 -113.087 -80.8208 PRESSAVG: 4941400 -16.2821 -40.5976 -4.14029 -40.5976 -29.8456 -0.276978 -4.14035 -0.276938 -17.8911 GPRESSAVG: 4941400 -16.3618 -38.499 -4.65989 -39.7232 -30.8947 -1.69572 -2.61429 1.56478 -16.728 TIMING: 4941400 CPU: 15708.7, 0.00318393/step Wall: 15708.7, 0.00318393/step, 0.0518273 hours remaining, 237.332031 MB of memory in use. ENERGY: 4941400 3933.6975 20588.7500 14394.3809 241.2645 -203057.1056 2468.1535 0.0000 0.0000 51965.1278 -109465.7314 298.6443 -161430.8592 -109099.7861 299.1269 -160.8897 -126.3849 763469.1186 -21.3396 -21.3282 PRESSURE: 4941600 20.3181 -66.1823 -193.896 -66.183 -20.2395 -71.4193 -193.897 -71.4193 -245.922 GPRESSURE: 4941600 70.9418 86.4812 -183.67 -59.7099 31.5908 20.325 -120.639 6.88173 -261.872 PRESSAVG: 4941600 46.8927 -22.4298 22.7629 -22.4299 -18.5222 -4.34295 22.7629 -4.34292 10.9418 GPRESSAVG: 4941600 46.0422 -24.4624 23.8566 -22.6553 -16.6823 -2.95695 22.2881 -5.07764 10.5269 TIMING: 4941600 CPU: 15709.4, 0.00317013/step Wall: 15709.4, 0.00317013/step, 0.0514265 hours remaining, 237.332031 MB of memory in use. ENERGY: 4941600 3955.9506 20542.6825 14530.2763 271.6472 -203469.5133 2516.4416 0.0000 0.0000 52219.5620 -109432.9532 300.1065 -161652.5152 -109072.6559 299.2466 -81.9479 -53.1132 760583.8733 13.1041 13.2956 PRESSURE: 4941800 -246.181 89.3657 -139.788 89.3651 9.83316 -27.9554 -139.789 -27.9542 484.005 GPRESSURE: 4941800 -176.962 120.028 -131.002 62.762 15.8045 32.6957 -214.174 -115.006 476.091 PRESSAVG: 4941800 24.9016 -22.5578 1.7989 -22.5578 -32.8058 -16.6049 1.79889 -16.6048 10.2597 GPRESSAVG: 4941800 25.9856 -22.5297 -0.0672471 -21.8582 -33.6857 -17.7774 -0.249399 -17.3983 9.68234 TIMING: 4941800 CPU: 15710, 0.00315419/step Wall: 15710, 0.00315419/step, 0.0509927 hours remaining, 237.332031 MB of memory in use. ENERGY: 4941800 3996.8203 20580.1620 14420.5236 244.2700 -203539.0760 2642.8882 0.0000 0.0000 51936.2225 -109718.1894 298.4782 -161654.4119 -109346.0136 299.1677 82.5525 104.9779 761476.7415 0.7852 0.6607 PRESSURE: 4942000 -347.693 -40.9573 -79.4463 -40.9571 -525.838 -141.018 -79.4474 -141.018 -655.842 GPRESSURE: 4942000 -338.442 71.414 -74.0258 -5.76476 -507.508 -190.743 -2.73739 -151.512 -588.343 PRESSAVG: 4942000 -8.75297 -34.7729 -29.7551 -34.7729 24.1872 -23.4858 -29.755 -23.4857 -4.06797 GPRESSAVG: 4942000 -11.1522 -31.0803 -29.6433 -35.4616 25.913 -24.1832 -27.9885 -22.7976 -3.92633 TIMING: 4942000 CPU: 15710.6, 0.00316927/step Wall: 15710.6, 0.00316927/step, 0.0510605 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4942000 3971.9070 20400.6453 14505.8881 237.0038 -202776.5566 2041.6635 0.0000 0.0000 52306.4018 -109313.0471 300.6056 -161619.4489 -108938.8813 299.3876 -509.7911 -478.0974 762803.8953 3.7888 3.6115 PRESSURE: 4942200 -116.704 -339.181 -157.314 -339.18 -101.576 -120.826 -157.314 -120.827 153.03 GPRESSURE: 4942200 -58.5164 -330.532 -148.573 -185.846 -108.021 -101.738 -178.968 -205.913 177.639 PRESSAVG: 4942200 -5.01243 -43.5441 -53.6564 -43.5441 13.397 -29.1295 -53.6564 -29.1295 -30.6955 GPRESSAVG: 4942200 -3.1485 -43.5496 -52.619 -42.4165 12.0569 -29.7418 -53.242 -29.2321 -31.3635 TIMING: 4942200 CPU: 15711.3, 0.00319056/step Wall: 15711.3, 0.00319056/step, 0.0512262 hours remaining, 237.332031 MB of memory in use. ENERGY: 4942200 3961.8400 20705.3221 14498.2992 260.3341 -203492.0234 2723.8977 0.0000 0.0000 51969.5099 -109372.8204 298.6695 -161342.3303 -109018.1776 299.4068 -21.7499 3.7008 760093.4520 -7.4370 -7.4850 PRESSURE: 4942400 312.658 17.3988 -47.6328 17.399 50.3317 -118.926 -47.6335 -118.926 142.021 GPRESSURE: 4942400 320.23 63.7487 -18.4843 -111.929 172.29 -53.6329 -32.0833 -96.0961 96.8136 PRESSAVG: 4942400 -10.8955 -35.6154 0.284081 -35.6153 -2.81929 -10.525 0.284082 -10.5251 26.4729 GPRESSAVG: 4942400 -11.5588 -37.4083 0.0753017 -35.5458 -2.40768 -8.80742 1.38039 -10.6713 26.7177 TIMING: 4942400 CPU: 15711.9, 0.00316818/step Wall: 15711.9, 0.00316818/step, 0.0506909 hours remaining, 237.332031 MB of memory in use. ENERGY: 4942400 3985.9951 20506.4979 14571.6970 243.1584 -203489.3428 2658.0236 0.0000 0.0000 52083.3996 -109440.5712 299.3240 -161523.9708 -109089.6035 299.6221 168.3371 196.4446 760270.6948 4.2527 4.2504 PRESSURE: 4942600 -293.436 -189.489 -4.69977 -189.49 -525.355 100.094 -4.69981 100.092 -38.5852 GPRESSURE: 4942600 -322.58 -207.9 -54.9704 -78.1857 -394.383 116.527 45.3435 79.8825 -8.0121 PRESSAVG: 4942600 -39.685 -59.2206 -40.9292 -59.2207 20.5056 -42.4761 -40.9292 -42.4761 10.2054 GPRESSAVG: 4942600 -40.3699 -60.556 -40.2265 -57.4174 21.0451 -43.7414 -42.1722 -39.823 10.6659 TIMING: 4942600 CPU: 15712.5, 0.00319041/step Wall: 15712.5, 0.00319041/step, 0.0508693 hours remaining, 237.332031 MB of memory in use. ENERGY: 4942600 4024.2328 20559.0309 14415.5564 266.1444 -202840.6285 2124.3154 0.0000 0.0000 52086.9657 -109364.3829 299.3445 -161451.3486 -108994.5822 299.6937 -285.7920 -241.6584 761921.4621 -2.9913 -2.8863 PRESSURE: 4942800 -31.9609 -83.7868 150.54 -83.787 14.9718 76.5613 150.54 76.5609 177.712 GPRESSURE: 4942800 24.8549 -91.9908 118.89 21.5031 50.0074 113.034 -4.64924 103.626 171.891 PRESSAVG: 4942800 46.7725 0.683947 62.7991 0.683936 -10.7205 -1.77271 62.7991 -1.77272 25.7624 GPRESSAVG: 4942800 48.0765 1.56632 62.9266 -1.66544 -11.0709 -0.547176 62.2302 -3.92732 25.489 TIMING: 4942800 CPU: 15713.2, 0.00317324/step Wall: 15713.2, 0.00317324/step, 0.0504193 hours remaining, 237.332031 MB of memory in use. ENERGY: 4942800 3905.3890 20578.7621 14529.9916 229.6914 -203604.4880 2516.0591 0.0000 0.0000 52341.6147 -109502.9802 300.8080 -161844.5949 -109133.4120 299.4344 53.5742 82.2512 760492.7703 20.6048 20.8315 PRESSURE: 4943000 177.717 102.436 -159.348 102.436 75.498 18.4572 -159.348 18.4576 395.767 GPRESSURE: 4943000 178.539 32.3465 -155.306 205.858 160.1 20.4669 9.30705 -0.92312 383.515 PRESSAVG: 4943000 32.5712 -22.9943 36.6112 -22.9943 -17.625 7.67462 36.6112 7.67464 13.4436 GPRESSAVG: 4943000 32.5338 -23.583 34.1307 -22.2296 -17.6086 7.0829 40.0766 8.37437 13.7089 TIMING: 4943000 CPU: 15713.8, 0.00316457/step Wall: 15713.8, 0.00316456/step, 0.0501056 hours remaining, 237.332031 MB of memory in use. ENERGY: 4943000 4021.8774 20551.7357 14466.6290 244.7063 -203187.4977 2365.9360 0.0000 0.0000 52214.0837 -109322.5296 300.0751 -161536.6134 -108948.0977 299.8547 216.3273 240.7181 761803.5018 9.4633 9.5447 PRESSURE: 4943200 -252.59 -130.911 23.9338 -130.91 -71.2895 -223.061 23.9345 -223.061 104.308 GPRESSURE: 4943200 -219.865 -195.417 -0.857951 60.5039 -40.4182 -173.542 17.5498 -187.521 143.065 PRESSAVG: 4943200 74.0276 9.23523 -6.04997 9.23526 -76.2808 -40.2004 -6.04989 -40.2005 -36.6258 GPRESSAVG: 4943200 74.0545 8.74279 -4.66625 10.1436 -76.1438 -39.3305 -9.44549 -40.1143 -36.662 TIMING: 4943200 CPU: 15714.4, 0.00315841/step Wall: 15714.4, 0.00315841/step, 0.0498327 hours remaining, 237.332031 MB of memory in use. ENERGY: 4943200 4038.0985 20791.3376 14477.5910 245.9204 -203411.2498 2401.5142 0.0000 0.0000 52156.5598 -109300.2283 299.7445 -161456.7881 -108936.5842 299.7116 -73.1906 -39.0728 762023.1357 -12.9597 -12.9171 PRESSURE: 4943400 -13.2518 1.92711 77.6273 1.92645 -164.847 -6.76789 77.6275 -6.76772 -114.093 GPRESSURE: 4943400 45.8636 -50.2953 65.2206 14.218 -236.876 59.9438 124.918 -28.2241 -13.6194 PRESSAVG: 4943400 32.2313 -19.1617 59.6444 -19.1617 -1.32956 32.1744 59.6444 32.1744 -13.5346 GPRESSAVG: 4943400 32.8506 -19.373 57.3299 -18.3381 -2.43319 31.7984 59.9213 32.8851 -13.112 TIMING: 4943400 CPU: 15715.1, 0.00315448/step Wall: 15715.1, 0.00315448/step, 0.0495955 hours remaining, 237.332031 MB of memory in use. ENERGY: 4943400 4059.9262 20599.7907 14538.3217 253.3111 -203717.2560 2733.2901 0.0000 0.0000 52083.0903 -109449.5259 299.3222 -161532.6162 -109084.8144 299.9447 -97.3974 -68.2105 761092.8054 5.7890 5.7685 PRESSURE: 4943600 79.0916 44.1933 262.343 44.1927 70.1625 -114.825 262.342 -114.825 14.3858 GPRESSURE: 4943600 124.044 15.7951 197.157 39.849 99.1046 -58.0197 154.198 -44.5822 40.859 PRESSAVG: 4943600 35.7315 -26.3154 24.9933 -26.3154 -32.7282 23.3249 24.9933 23.3249 -23.7771 GPRESSAVG: 4943600 34.7808 -24.8726 27.1141 -26.4899 -30.8335 22.6067 25.0704 22.1193 -24.5139 TIMING: 4943600 CPU: 15715.7, 0.00319991/step Wall: 15715.7, 0.00319991/step, 0.050132 hours remaining, 237.332031 MB of memory in use. ENERGY: 4943600 4046.4749 20712.1213 14460.5021 262.1629 -203489.0824 2629.2507 0.0000 0.0000 52075.4149 -109303.1555 299.2781 -161378.5704 -108949.9929 299.8989 54.5466 88.0026 760555.3441 -6.9246 -6.8556 PRESSURE: 4943800 -171.858 -226.173 29.1193 -226.173 -391.437 447.419 29.1183 447.419 -163.293 GPRESSURE: 4943800 -77.5494 -365.015 -16.1717 -255.008 -405.335 353.871 115.646 461.933 -167.31 PRESSAVG: 4943800 -11.1494 -56.514 -5.80968 -56.514 -18.4749 -11.2873 -5.80968 -11.2873 0.960045 GPRESSAVG: 4943800 -10.6978 -57.6105 -5.73917 -55.4758 -19.544 -10.1437 -6.05824 -12.6442 1.34842 TIMING: 4943800 CPU: 15716.4, 0.0031859/step Wall: 15716.4, 0.0031859/step, 0.0497354 hours remaining, 237.332031 MB of memory in use. ENERGY: 4943800 3980.9502 20511.8308 14546.2536 240.8361 -203457.1330 2555.3600 0.0000 0.0000 52426.8950 -109195.0073 301.2981 -161621.9023 -108830.0007 300.2337 -242.1959 -216.7316 761321.2936 -9.5547 -9.6311 PRESSURE: 4944000 446.4 -179.574 -54.2221 -179.574 81.3143 -17.2514 -54.2228 -17.2512 42.895 GPRESSURE: 4944000 383.183 -221.035 37.2718 -111.014 130.718 -66.2112 -83.1652 30.4406 143.036 PRESSAVG: 4944000 83.1124 -70.8743 -29.0103 -70.8743 -61.0293 8.57123 -29.0104 8.57121 8.58789 GPRESSAVG: 4944000 82.2562 -68.3785 -28.356 -74.8421 -61.3679 7.54211 -29.7466 11.176 9.60998 TIMING: 4944000 CPU: 15717, 0.00317232/step Wall: 15717, 0.00317232/step, 0.0493473 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4944000 4028.6294 20539.5595 14468.8711 268.8293 -203558.5064 2728.5018 0.0000 0.0000 52320.7276 -109203.3877 300.6879 -161524.1153 -108841.1356 300.2996 190.2030 218.9788 759368.0096 10.2237 10.1661 PRESSURE: 4944200 430.91 -1.0782 -62.9991 -1.07804 251.239 -71.9929 -62.9988 -71.9934 517.859 GPRESSURE: 4944200 491.78 -15.9673 -77.6664 138.261 290.151 -122.447 -153.274 -89.421 499.745 PRESSAVG: 4944200 66.6939 -84.7583 -6.87805 -84.7583 -39.3613 -19.9624 -6.87805 -19.9624 -14.4641 GPRESSAVG: 4944200 66.5239 -86.3604 -8.58933 -82.0089 -38.8189 -21.0579 -6.95114 -21.9463 -14.9291 TIMING: 4944200 CPU: 15717.6, 0.00316126/step Wall: 15717.6, 0.00316126/step, 0.0489996 hours remaining, 237.332031 MB of memory in use. ENERGY: 4944200 3981.1115 20488.2964 14534.2709 265.5606 -203416.6940 2654.4621 0.0000 0.0000 52013.9298 -109479.0626 298.9248 -161492.9924 -109120.9748 299.8630 400.0025 427.2255 759128.3356 4.2895 4.2586 LDB: ============= START OF LOAD BALANCING ============== 15730 LDB: ============== END OF LOAD BALANCING =============== 15730 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15730 LDB: ============= START OF LOAD BALANCING ============== 15730.3 LDB: Largest compute 7025 load 0.034561 is 17.6% of average load 0.196035 LDB: Average compute 0.004399 is 2.2% of average load 0.196035 LDB: TIME 15730.3 LOAD: AVG 0.196035 MAX 0.217029 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.379 MB LDB: TIME 15730.3 LOAD: AVG 0.196035 MAX 0.217029 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: TIME 15730.3 LOAD: AVG 0.196035 MAX 0.217029 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15730.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15730.4 PRESSURE: 4944400 -209.835 44.7092 44.0159 44.7079 -163.669 -137.489 44.0163 -137.488 -114.669 GPRESSURE: 4944400 -200.391 35.7036 -60.6216 -64.1821 -86.179 -83.4418 166.391 -132.167 -113.447 PRESSAVG: 4944400 48.8141 -69.1603 58.2167 -69.1604 -72.017 21.7009 58.2166 21.701 1.4494 GPRESSAVG: 4944400 49.2824 -69.5963 57.9138 -71.0541 -72.4653 23.2972 59.9987 23.9459 1.99781 TIMING: 4944400 CPU: 15718.3, 0.00324625/step Wall: 15718.3, 0.00324625/step, 0.0501366 hours remaining, 238.101562 MB of memory in use. ENERGY: 4944400 3963.7859 20447.9901 14448.1723 245.0845 -203009.6128 2348.4605 0.0000 0.0000 51944.4699 -109611.6496 298.5256 -161556.1195 -109249.0117 299.0963 -162.7245 -133.3390 762263.4026 -7.2512 -7.0617 PRESSURE: 4944600 -358.868 -256.125 37.7898 -256.125 56.1276 -18.12 37.7894 -18.1211 82.446 GPRESSURE: 4944600 -229.831 -107.104 36.9834 -425.809 74.6518 -24.9312 -82.8686 -53.9801 30.9363 PRESSAVG: 4944600 3.72648 -45.7959 12.7576 -45.796 -18.0538 -48.032 12.7576 -48.032 -17.6434 GPRESSAVG: 4944600 3.41056 -44.894 12.9479 -46.4845 -17.9733 -47.4415 11.6524 -49.177 -17.6013 TIMING: 4944600 CPU: 15718.9, 0.00316966/step Wall: 15718.9, 0.00316966/step, 0.0487775 hours remaining, 238.101562 MB of memory in use. ENERGY: 4944600 4029.9303 20488.8068 14493.2767 269.2516 -202900.2009 2249.7028 0.0000 0.0000 51849.2248 -109520.0079 297.9782 -161369.2327 -109155.0963 299.1571 -73.4315 -41.4143 761610.0903 -10.6569 -10.7213 PRESSURE: 4944800 0.913604 -25.9079 -57.3488 -25.9076 -274.84 -138.131 -57.3497 -138.13 -117.847 GPRESSURE: 4944800 44.7946 -139.07 -19.5022 -39.239 -204.838 -135.386 -199.913 -134.735 -145.274 PRESSAVG: 4944800 48.7267 -16.4149 0.811181 -16.4149 -13.6215 -20.0265 0.811168 -20.0265 18.3769 GPRESSAVG: 4944800 49.8225 -16.2049 1.53425 -15.9263 -13.161 -21.6842 0.302434 -22.7305 16.5352 TIMING: 4944800 CPU: 15719.5, 0.00318962/step Wall: 15719.5, 0.00318962/step, 0.0489076 hours remaining, 238.101562 MB of memory in use. ENERGY: 4944800 4025.0559 20534.7400 14454.1647 253.5866 -203239.0195 2340.3996 0.0000 0.0000 51831.1447 -109799.9281 297.8743 -161631.0728 -109442.6485 298.3598 -130.5910 -101.7723 760845.0416 17.8274 17.7323 PRESSURE: 4945000 96.418 24.2133 178.012 24.2131 -234.31 119.218 178.011 119.219 181.459 GPRESSURE: 4945000 103.662 8.28209 170.776 16.3981 -202.042 149.432 203.769 18.6629 242.782 PRESSAVG: 4945000 8.18746 -48.8475 23.6502 -48.8474 -42.4131 30.7788 23.6502 30.7788 9.29637 GPRESSAVG: 4945000 7.15786 -50.3825 23.7825 -46.8834 -42.6636 30.9809 23.4711 33.3889 10.827 TIMING: 4945000 CPU: 15720.2, 0.00320005/step Wall: 15720.2, 0.00320005/step, 0.0488896 hours remaining, 238.101562 MB of memory in use. ENERGY: 4945000 3924.0888 20598.8093 14411.7742 257.8452 -203723.3220 2680.2767 0.0000 0.0000 52043.9416 -109806.5863 299.0972 -161850.5279 -109450.7167 298.9711 14.5221 48.1344 760936.4726 -8.3098 -8.2262 PRESSURE: 4945200 -86.408 -248.492 -102.636 -248.493 -247.84 112.848 -102.635 112.847 -3.13442 GPRESSURE: 4945200 -95.021 -210.24 -53.0538 -172.578 -174.383 58.438 -214.266 98.1004 5.4654 PRESSAVG: 4945200 -48.093 -50.4564 -26.8106 -50.4564 3.28833 16.3925 -26.8105 16.3925 1.10506 GPRESSAVG: 4945200 -48.2441 -49.1371 -25.9625 -52.1802 2.72049 16.7656 -26.9226 15.2627 1.37875 TIMING: 4945200 CPU: 15720.8, 0.0031821/step Wall: 15720.8, 0.0031821/step, 0.0484386 hours remaining, 238.101562 MB of memory in use. ENERGY: 4945200 3978.6708 20589.9502 14427.6331 243.7112 -203330.1434 2229.2683 0.0000 0.0000 51918.7641 -109942.1456 298.3779 -161860.9097 -109589.7100 298.7517 -112.4608 -87.9797 759457.1631 -14.5665 -14.7149 PRESSURE: 4945400 -265.816 -74.4852 -19.1582 -74.4855 255.128 -324.73 -19.1581 -324.73 16.8135 GPRESSURE: 4945400 -172.285 -72.8816 -103.334 -72.6068 243.211 -277.285 185.6 -148.036 14.9747 PRESSAVG: 4945400 21.4088 -47.1578 -6.46819 -47.1577 -16.5018 -51.8034 -6.46819 -51.8034 0.0721633 GPRESSAVG: 4945400 21.186 -46.7432 -7.96671 -46.6338 -15.6988 -49.3596 -3.37203 -51.675 -0.399456 TIMING: 4945400 CPU: 15721.5, 0.00319289/step Wall: 15721.5, 0.00319289/step, 0.0484254 hours remaining, 238.101562 MB of memory in use. ENERGY: 4945400 3997.0210 20455.3522 14501.1502 249.9900 -203597.7596 2364.4438 0.0000 0.0000 52057.6473 -109972.1550 299.1760 -162029.8023 -109610.7222 298.7844 2.0417 28.6335 758963.4399 1.6597 1.6959 PRESSURE: 4945600 130.665 10.6761 -84.9283 10.6757 23.0273 -112.322 -84.9278 -112.321 -284.192 GPRESSURE: 4945600 125.443 77.3407 -64.5913 -7.34644 69.623 -199.53 -160.638 -85.5988 -213.598 PRESSAVG: 4945600 31.5326 15.2577 -28.9403 15.2577 2.87898 -9.3652 -28.9403 -9.36528 16.573 GPRESSAVG: 4945600 31.675 15.0498 -28.5406 16.4476 2.51691 -12.6122 -30.4445 -9.03816 16.2033 TIMING: 4945600 CPU: 15722.1, 0.00318621/step Wall: 15722.1, 0.00318621/step, 0.0481472 hours remaining, 238.101562 MB of memory in use. ENERGY: 4945600 4044.0280 20463.1810 14480.6183 269.4804 -203600.1227 2547.2211 0.0000 0.0000 51826.2268 -109969.3670 297.8460 -161795.5938 -109611.2499 299.0627 -43.5001 -6.1773 760153.5812 16.9948 16.7984 PRESSURE: 4945800 406.405 -126.541 -183.969 -126.541 -78.6812 106.55 -183.969 106.55 122.452 GPRESSURE: 4945800 427.345 -152.042 -208.098 -54.8687 20.0645 45.2531 -195.666 72.4916 93.2695 PRESSAVG: 4945800 20.0955 -41.3011 -3.60803 -41.3011 -34.9453 -1.89552 -3.60801 -1.89551 28.8299 GPRESSAVG: 4945800 20.367 -43.4715 -2.65098 -40.003 -36.0948 -1.91651 -6.69413 -1.37876 29.4329 TIMING: 4945800 CPU: 15722.7, 0.00317816/step Wall: 15722.7, 0.00317816/step, 0.047849 hours remaining, 238.101562 MB of memory in use. ENERGY: 4945800 3972.4195 20678.4806 14447.6666 241.8823 -203871.2953 2703.9765 0.0000 0.0000 52096.1634 -109730.7064 299.3974 -161826.8698 -109365.7999 298.7615 150.0587 180.2263 759854.8418 4.6600 4.5684 PRESSURE: 4946000 -108.871 -217.091 5.80644 -217.091 184.536 -34.7564 5.80601 -34.7566 -242.948 GPRESSURE: 4946000 -120.73 -218.047 12.9815 -215.281 143.397 5.26619 -32.5066 -16.0845 -114.767 PRESSAVG: 4946000 30.7601 -25.9982 2.95242 -25.9982 0.263071 9.78317 2.95239 9.78315 17.8614 GPRESSAVG: 4946000 29.9593 -24.3833 3.30058 -27.5782 0.346916 12.9324 6.24949 10.9361 18.5067 TIMING: 4946000 CPU: 15723.4, 0.00318602/step Wall: 15723.4, 0.00318602/step, 0.0477904 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4946000 3907.2786 20616.4269 14464.6741 234.1791 -202992.9209 2247.4142 0.0000 0.0000 51905.7251 -109617.2230 298.3029 -161522.9481 -109262.6037 299.5346 -55.7611 -30.6997 759733.1173 16.2949 16.2710 PRESSURE: 4946200 99.3409 84.1933 -420.631 84.1926 -163.047 174.867 -420.631 174.868 -99.6105 GPRESSURE: 4946200 135.903 21.8945 -408.652 81.779 -166.948 209.464 -250.368 137.761 -43.6957 PRESSAVG: 4946200 20.0779 -33.9288 12.5946 -33.9288 -26.6165 19.535 12.5946 19.5349 -24.9084 GPRESSAVG: 4946200 19.467 -33.0104 10.1874 -33.8756 -25.6408 17.6952 13.8189 17.2616 -25.0427 TIMING: 4946200 CPU: 15724, 0.00317114/step Wall: 15724, 0.00317114/step, 0.0473909 hours remaining, 238.101562 MB of memory in use. ENERGY: 4946200 4102.0142 20569.8922 14503.4443 236.3298 -203631.5942 2575.2834 0.0000 0.0000 52029.4209 -109615.2094 299.0138 -161644.6303 -109252.1876 299.0936 -54.4387 -24.9133 759083.6353 -10.4823 -10.4055 PRESSURE: 4946400 -121.175 -117.205 177.77 -117.206 -159.992 63.4852 177.77 63.4853 -43.5843 GPRESSURE: 4946400 -170.027 -270.876 143.246 -101.191 -24.4262 106.917 52.7805 22.9029 -43.3314 PRESSAVG: 4946400 -1.65849 -40.3346 44.0541 -40.3347 11.9056 7.89188 44.0541 7.89197 5.01586 GPRESSAVG: 4946400 -1.10148 -42.6179 45.4462 -40.7336 12.6796 6.77524 42.0135 8.96274 4.21326 TIMING: 4946400 CPU: 15724.6, 0.00316045/step Wall: 15724.6, 0.00316045/step, 0.0470556 hours remaining, 238.101562 MB of memory in use. ENERGY: 4946400 4036.4075 20616.7341 14454.1130 243.6011 -203885.9373 2495.5999 0.0000 0.0000 52393.7876 -109645.6940 301.1078 -162039.4816 -109283.3350 299.4775 -108.2505 -79.2614 758402.9297 5.0877 5.2638 PRESSURE: 4946600 28.4465 7.34513 99.5412 7.34564 -457.372 94.4832 99.542 94.4819 116.932 GPRESSURE: 4946600 35.8124 6.85205 134.415 46.9947 -390.993 120.264 54.6402 -6.38303 133.704 PRESSAVG: 4946600 -8.73919 -60.1447 45.1778 -60.1448 -22.7603 -16.8034 45.1778 -16.8034 -9.96457 GPRESSAVG: 4946600 -8.73691 -58.7423 44.7177 -60.7912 -23.7958 -15.7984 46.9354 -18.1729 -8.50126 TIMING: 4946600 CPU: 15725.3, 0.00314006/step Wall: 15725.3, 0.00314006/step, 0.0465776 hours remaining, 238.101562 MB of memory in use. ENERGY: 4946600 3962.6541 20692.7033 14479.8081 250.7897 -203531.0511 2342.3785 0.0000 0.0000 52168.8378 -109633.8796 299.8150 -161802.7174 -109267.1056 299.5231 -103.9979 -73.8254 759739.8974 -13.8213 -13.6780 PRESSURE: 4946800 -64.5581 13.6804 35.8376 13.6804 -188.677 -238.068 35.8369 -238.068 159.861 GPRESSURE: 4946800 -56.0649 -56.9138 30.5041 -44.5001 -62.223 -210.894 63.5252 -259.309 97.3757 PRESSAVG: 4946800 17.7346 -42.6479 -23.9309 -42.6479 -31.1588 -28.2025 -23.9308 -28.2025 7.59817 GPRESSAVG: 4946800 19.6788 -40.242 -24.1605 -43.4268 -30.4078 -28.5176 -24.3831 -27.5871 5.20232 TIMING: 4946800 CPU: 15725.9, 0.00315188/step Wall: 15725.9, 0.00315188/step, 0.0465778 hours remaining, 238.101562 MB of memory in use. ENERGY: 4946800 4033.7871 20560.7248 14502.9928 255.1096 -203614.3101 2708.0154 0.0000 0.0000 51912.4043 -109641.2761 298.3413 -161553.6804 -109274.2529 299.4615 -31.1247 -6.9707 761121.9622 -1.9420 -1.8422 PRESSURE: 4947000 30.9909 16.2451 -57.4681 16.244 129.448 58.3574 -57.468 58.3581 25.9712 GPRESSURE: 4947000 131.523 -78.1289 43.2029 87.6941 149.018 60.1803 107.476 38.4393 21.8574 PRESSAVG: 4947000 52.6644 -37.8806 16.3591 -37.8806 43.4696 -34.9434 16.3592 -34.9433 11.346 GPRESSAVG: 4947000 51.9589 -42.3317 17.3364 -35.2645 42.4328 -35.5992 14.4578 -33.3918 12.3383 TIMING: 4947000 CPU: 15726.5, 0.00317046/step Wall: 15726.5, 0.00317046/step, 0.0466762 hours remaining, 238.101562 MB of memory in use. ENERGY: 4947000 4004.0125 20404.8248 14491.0910 253.8423 -203761.2407 2793.8112 0.0000 0.0000 51999.6515 -109814.0074 298.8427 -161813.6589 -109456.3827 299.2081 62.1367 100.7994 758849.1515 35.8266 35.5767 PRESSURE: 4947200 -163.086 -119.443 145.34 -119.443 96.7352 -56.9991 145.34 -56.9996 -462.514 GPRESSURE: 4947200 -206.088 -158.213 19.4957 -112.18 196.328 21.373 125.896 -48.6913 -439.851 PRESSAVG: 4947200 -65.6191 -38.3146 64.8278 -38.3146 21.5316 -10.684 64.8278 -10.684 -16.4461 GPRESSAVG: 4947200 -65.823 -36.4575 63.869 -39.4188 21.2356 -11.0214 66.8893 -11.5276 -16.1645 TIMING: 4947200 CPU: 15727.2, 0.00316266/step Wall: 15727.2, 0.00316266/step, 0.0463856 hours remaining, 238.101562 MB of memory in use. ENERGY: 4947200 3919.4075 20572.0444 14411.4953 281.7326 -203408.7781 2467.8548 0.0000 0.0000 52061.3514 -109694.8922 299.1973 -161756.2436 -109332.8604 298.3234 -176.2881 -149.8703 760534.2780 -20.1779 -20.2506 PRESSURE: 4947400 177.96 -224.439 59.264 -224.439 296.532 -112.547 59.2641 -112.547 249.151 GPRESSURE: 4947400 255.926 -116.883 78.0726 -168.11 299.257 -45.2548 106.08 -116.403 228.819 PRESSAVG: 4947400 -3.38058 -23.5511 -51.3246 -23.551 19.9684 11.3177 -51.3245 11.3178 -1.72262 GPRESSAVG: 4947400 -3.42724 -24.148 -50.9995 -24.894 20.0268 11.0642 -52.1759 13.9888 -1.7871 TIMING: 4947400 CPU: 15727.8, 0.00319603/step Wall: 15727.8, 0.00319603/step, 0.0466976 hours remaining, 238.101562 MB of memory in use. ENERGY: 4947400 3899.2479 20703.0545 14414.6388 234.3710 -203750.2776 2764.3197 0.0000 0.0000 51986.9023 -109747.7435 298.7694 -161734.6458 -109389.9617 299.0278 241.2143 261.3340 759789.0816 4.9551 4.9375 PRESSURE: 4947600 245.271 -73.6802 -41.1978 -73.6808 460.271 -100.088 -41.1968 -100.088 -148.319 GPRESSURE: 4947600 353.062 -166.286 -24.4405 -33.5588 420.073 -205.644 -130.599 -116.21 -122.473 PRESSAVG: 4947600 13.4129 -9.05415 -29.7299 -9.05417 -10.2312 -86.4789 -29.7299 -86.4789 2.55486 GPRESSAVG: 4947600 14.7549 -8.78277 -28.8542 -8.23732 -10.7506 -84.6867 -30.9584 -88.9009 1.72521 TIMING: 4947600 CPU: 15728.4, 0.00319119/step Wall: 15728.4, 0.00319119/step, 0.0464496 hours remaining, 238.101562 MB of memory in use. ENERGY: 4947600 3950.6195 20485.9684 14400.0160 231.2959 -203671.0006 2843.7741 0.0000 0.0000 51823.9282 -109935.3985 297.8328 -161759.3266 -109574.2556 298.5116 185.7408 216.8874 759298.1095 1.9122 1.9098 PRESSURE: 4947800 242.492 -61.788 161.477 -61.7868 19.7952 196.394 161.478 196.393 -156.883 GPRESSURE: 4947800 140.993 70.9841 45.3432 -34.5201 172.645 187.98 190.344 216.007 -129.984 PRESSAVG: 4947800 -24.7992 -24.0392 -33.4865 -24.0393 8.06527 7.82669 -33.4865 7.82664 0.303477 GPRESSAVG: 4947800 -25.6904 -22.482 -34.2382 -24.9032 9.39949 7.22433 -32.163 6.77101 0.174353 TIMING: 4947800 CPU: 15729.1, 0.00315501/step Wall: 15729.1, 0.00315501/step, 0.0457476 hours remaining, 238.101562 MB of memory in use. ENERGY: 4947800 3995.7894 20592.0127 14418.8743 235.1538 -203110.6209 2392.2828 0.0000 0.0000 51861.7070 -109614.8008 298.0499 -161476.5079 -109264.4598 298.1201 35.1350 61.2182 761191.2379 -5.4768 -5.3722 PRESSURE: 4948000 306.969 -198.164 151.863 -198.163 332.054 -258.454 151.864 -258.455 -33.3317 GPRESSURE: 4948000 307.412 -122.346 149.471 -28.0436 380.332 -301.749 206.73 -42.7088 -11.0938 PRESSAVG: 4948000 -17.1495 -25.0432 47.7709 -25.0433 41.1986 -35.3567 47.771 -35.3567 4.24943 GPRESSAVG: 4948000 -18.57 -26.6035 47.2337 -23.5787 41.2263 -35.8836 49.1437 -33.996 5.88282 TIMING: 4948000 CPU: 15729.7, 0.00314734/step Wall: 15729.7, 0.00314734/step, 0.0454616 hours remaining, 238.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4948000 3981.8086 20655.9943 14451.6236 259.5878 -203735.4504 3002.2864 0.0000 0.0000 51887.8349 -109496.3149 298.2001 -161384.1498 -109146.2752 299.0621 201.8973 225.5500 760936.2976 9.4328 9.5131 PRESSURE: 4948200 -155.876 -124.854 169.001 -124.854 286.553 120.072 169.001 120.072 101.498 GPRESSURE: 4948200 -45.6638 -106.123 174.442 -79.7911 249.006 180.714 12.5567 121.047 131.531 PRESSAVG: 4948200 50.102 -33.1463 -53.4274 -33.1464 -19.1225 40.0879 -53.4274 40.0878 1.26414 GPRESSAVG: 4948200 50.6019 -35.3907 -52.8121 -31.0145 -18.3643 40.5287 -55.8772 39.0884 0.36025 TIMING: 4948200 CPU: 15730.3, 0.00316889/step Wall: 15730.3, 0.00316889/step, 0.0455968 hours remaining, 238.101562 MB of memory in use. ENERGY: 4948200 3973.0602 20440.7477 14482.5506 241.3019 -203515.9003 2685.1780 0.0000 0.0000 52434.2305 -109258.8313 301.3402 -161693.0618 -108898.9379 299.2865 77.3918 111.6244 761198.8948 10.7479 10.8660 LDB: ============= START OF LOAD BALANCING ============== 15742.7 LDB: ============== END OF LOAD BALANCING =============== 15742.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15742.7 LDB: ============= START OF LOAD BALANCING ============== 15743.1 LDB: Largest compute 7025 load 0.033747 is 17.2% of average load 0.195991 LDB: Average compute 0.004397 is 2.2% of average load 0.195991 LDB: TIME 15743.1 LOAD: AVG 0.195991 MAX 0.217277 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 15743.1 LOAD: AVG 0.195991 MAX 0.217277 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 15743.1 LOAD: AVG 0.195991 MAX 0.217277 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15743.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15743.1 PRESSURE: 4948400 250.803 -3.67849 -126.24 -3.67803 115.884 22.4763 -126.24 22.4768 363.319 GPRESSURE: 4948400 294.801 36.427 -74.5814 93.5432 139.473 20.3177 -132.708 -177.66 395.45 PRESSAVG: 4948400 33.7763 -34.1216 -46.4862 -34.1216 -15.5268 -27.6858 -46.4862 -27.6858 12.9506 GPRESSAVG: 4948400 34.2065 -33.7979 -47.6866 -36.5935 -16.5215 -28.13 -43.2439 -26.1406 13.7403 TIMING: 4948400 CPU: 15731, 0.00324249/step Wall: 15731, 0.00324249/step, 0.0464757 hours remaining, 238.289062 MB of memory in use. ENERGY: 4948400 3974.9158 20514.1247 14453.8741 244.0558 -202752.3311 2392.2093 0.0000 0.0000 52073.4862 -109099.6651 299.2670 -161173.1514 -108738.8929 299.6797 243.3354 276.5749 761808.5918 10.4000 10.4751 PRESSURE: 4948600 80.0746 -46.2242 143.521 -46.2242 -246.262 -95.2683 143.521 -95.268 430.864 GPRESSURE: 4948600 152.751 3.46645 165.758 97.9002 -268.639 -63.0367 110.645 -188.003 456.06 PRESSAVG: 4948600 43.7706 9.04681 1.18368 9.04685 -10.8525 -45.2176 1.1837 -45.2177 7.09465 GPRESSAVG: 4948600 43.4295 11.6287 1.71707 8.25027 -9.49429 -44.5403 0.27404 -48.3674 6.46497 TIMING: 4948600 CPU: 15731.6, 0.00317948/step Wall: 15731.6, 0.00317948/step, 0.0453959 hours remaining, 238.289062 MB of memory in use. ENERGY: 4948600 3983.3715 20591.4538 14475.0609 248.8469 -203386.4448 2830.5525 0.0000 0.0000 51989.0544 -109268.1047 298.7818 -161257.1591 -108908.4719 299.8107 88.2256 113.3906 761180.8131 13.3376 13.4667 PRESSURE: 4948800 -74.5557 -83.3259 35.7325 -83.3257 -186.055 60.0455 35.732 60.0448 81.7961 GPRESSURE: 4948800 -63.7176 -0.529057 33.6353 -105.34 -114.952 113.774 30.4421 58.593 81.785 PRESSAVG: 4948800 19.1095 -1.76212 -19.0922 -1.76209 1.46544 36.0139 -19.0922 36.0139 -22.1936 GPRESSAVG: 4948800 19.3779 -3.43721 -16.7052 1.42886 1.08547 35.3674 -20.9164 37.3159 -21.8282 TIMING: 4948800 CPU: 15732.2, 0.00317514/step Wall: 15732.2, 0.00317514/step, 0.0451575 hours remaining, 238.289062 MB of memory in use. ENERGY: 4948800 3985.4394 20418.5586 14427.6382 230.8925 -202838.8549 2469.0466 0.0000 0.0000 52090.0718 -109217.2078 299.3624 -161307.2795 -108852.8071 299.5157 -59.6050 -32.2948 762660.7483 -0.5396 -0.4549 PRESSURE: 4949000 -96.6338 -143.621 51.455 -143.621 98.9882 157.34 51.4551 157.341 212.316 GPRESSURE: 4949000 -43.9655 -109.099 11.2662 -75.3684 136.97 55.4355 20.6413 221.133 203.106 PRESSAVG: 4949000 -35.4539 -5.53041 6.08259 -5.53044 24.543 27.4571 6.08257 27.4571 27.4742 GPRESSAVG: 4949000 -36.104 -5.84948 4.26363 -4.93513 24.9562 27.4495 5.75276 30.3341 27.4981 TIMING: 4949000 CPU: 15732.9, 0.00315652/step Wall: 15732.9, 0.00315652/step, 0.0447174 hours remaining, 238.289062 MB of memory in use. ENERGY: 4949000 3925.3516 20572.6777 14442.8196 253.9412 -203094.0061 2626.2185 0.0000 0.0000 52046.8935 -109226.1041 299.1142 -161272.9976 -108859.5909 299.0277 71.5569 98.7033 763232.8213 5.5211 5.4501 PRESSURE: 4949200 21.242 -101.93 -77.376 -101.93 -84.1832 -66.8084 -77.3752 -66.8069 348.723 GPRESSURE: 4949200 124.78 -110.604 51.9001 -45.0604 -77.5435 -91.4113 30.2873 -68.0769 299.462 PRESSAVG: 4949200 36.8352 7.60263 -23.2322 7.60268 -16.1128 -10.2343 -23.2322 -10.2343 -17.1463 GPRESSAVG: 4949200 37.1703 7.3986 -23.2203 3.46915 -15.232 -8.53077 -20.467 -13.6309 -18.455 TIMING: 4949200 CPU: 15733.5, 0.0032046/step Wall: 15733.5, 0.0032046/step, 0.0452204 hours remaining, 238.289062 MB of memory in use. ENERGY: 4949200 3935.8470 20629.1249 14492.1393 243.9445 -203178.3409 2711.3623 0.0000 0.0000 51972.6620 -109193.2609 298.6876 -161165.9229 -108845.4707 299.6940 95.2607 115.5661 762886.8818 1.1920 1.1611 PRESSURE: 4949400 140.77 17.3042 -29.1462 17.3049 -235.975 -231.025 -29.1466 -231.026 334.751 GPRESSURE: 4949400 161.241 105.043 4.94616 -66.2221 -82.9719 -174.287 68.1306 -192.642 249.405 PRESSAVG: 4949400 3.80158 -49.6023 -28.2218 -49.6022 -32.9161 26.728 -28.2218 26.728 51.905 GPRESSAVG: 4949400 3.48613 -49.978 -27.8876 -48.3814 -33.2582 26.0793 -28.6163 29.0285 52.8163 TIMING: 4949400 CPU: 15734.2, 0.00317075/step Wall: 15734.2, 0.00317075/step, 0.0445666 hours remaining, 238.289062 MB of memory in use. ENERGY: 4949400 3937.2309 20604.6556 14491.1466 238.9637 -203322.3736 2661.4203 0.0000 0.0000 52207.9747 -109180.9818 300.0399 -161388.9565 -108814.2749 300.3170 79.8489 109.2246 761365.0020 7.5968 7.6814 PRESSURE: 4949600 27.0434 -105.687 201.426 -105.686 315.125 -370.859 201.427 -370.859 75.1166 GPRESSURE: 4949600 123.253 -130.75 179.692 20.0355 266.819 -352.157 115.012 -309.158 107.989 PRESSAVG: 4949600 45.3371 -44.0261 -38.2484 -44.026 -54.8395 -20.828 -38.2483 -20.828 5.48098 GPRESSAVG: 4949600 46.6042 -43.6579 -38.3043 -44.136 -56.039 -21.327 -39.7182 -21.1687 5.87358 TIMING: 4949600 CPU: 15734.8, 0.00315384/step Wall: 15734.8, 0.00315384/step, 0.0441538 hours remaining, 238.289062 MB of memory in use. ENERGY: 4949600 4020.9557 20711.8024 14526.9431 212.7207 -203517.3374 2624.8533 0.0000 0.0000 52118.4792 -109301.5831 299.5256 -161420.0622 -108937.8512 299.5186 139.0949 166.0205 760398.8477 -1.3405 -1.1870 PRESSURE: 4949800 -91.289 -50.3925 123.402 -50.3924 19.0001 -61.0671 123.402 -61.0676 -329.142 GPRESSURE: 4949800 -20.0977 -58.0883 105.171 -103.658 9.57975 -50.4762 133.28 -138.732 -302.273 PRESSAVG: 4949800 35.0386 -28.7949 12.522 -28.7949 -1.51989 15.4276 12.522 15.4275 -9.92114 GPRESSAVG: 4949800 35.1493 -28.2166 11.9671 -27.8683 -2.32876 14.6824 15.8864 16.727 -9.44575 TIMING: 4949800 CPU: 15735.4, 0.0031594/step Wall: 15735.4, 0.0031594/step, 0.044056 hours remaining, 238.289062 MB of memory in use. ENERGY: 4949800 4040.7105 20635.9153 14485.0954 271.6564 -203282.8388 2660.3185 0.0000 0.0000 51917.6260 -109271.5167 298.3713 -161189.1427 -108913.7501 299.8020 -133.8103 -104.2636 763336.4395 7.8658 7.7916 PRESSURE: 4950000 -171.251 -4.65458 123.422 -4.65452 -414.68 6.13345 123.421 6.13369 349.688 GPRESSURE: 4950000 -141.494 59.2591 86.2734 -59.7599 -303.391 45.8987 128.009 -31.021 317.005 PRESSAVG: 4950000 72.756 -21.36 45.6518 -21.36 -31.9069 12.1653 45.6518 12.1652 6.22612 GPRESSAVG: 4950000 72.123 -21.0982 44.6277 -23.1028 -30.4285 11.9299 45.7208 10.6995 6.06741 TIMING: 4950000 CPU: 15736.1, 0.00320222/step Wall: 15736.1, 0.00320222/step, 0.0444753 hours remaining, 238.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4950000 4003.5596 20570.1476 14439.4098 233.0641 -203303.0081 2680.4561 0.0000 0.0000 52167.0386 -109209.3322 299.8047 -161376.3708 -108844.2914 299.5492 -78.7477 -42.6268 762824.6422 15.6917 15.9206 PRESSURE: 4950200 81.1764 -94.0603 -175.882 -94.0606 -85.3884 105.812 -175.881 105.812 338.658 GPRESSURE: 4950200 68.7379 5.72511 -223.42 -41.9737 -57.6865 193.059 -141.852 134.886 401.998 PRESSAVG: 4950200 0.542341 1.6568 -1.44358 1.65685 -16.6228 17.6757 -1.44356 17.6757 4.44722 GPRESSAVG: 4950200 0.396726 1.9119 -0.23719 2.48261 -17.0239 18.29 -2.26245 19.3478 4.88986 TIMING: 4950200 CPU: 15736.7, 0.00315635/step Wall: 15736.7, 0.00315635/step, 0.0436628 hours remaining, 238.289062 MB of memory in use. ENERGY: 4950200 3970.5209 20643.9948 14526.9433 266.5043 -203341.4268 2576.7592 0.0000 0.0000 52218.8576 -109137.8467 300.1025 -161356.7043 -108774.4247 299.8623 111.4820 137.6830 761376.1459 -3.8777 -3.9124 PRESSURE: 4950400 85.5268 48.839 122.584 48.8392 -264.477 -94.4036 122.584 -94.4043 -38.4187 GPRESSURE: 4950400 116.059 37.4225 248.15 -5.38525 -206.849 -168.12 69.2662 100.757 -25.1573 PRESSAVG: 4950400 36.3876 -7.50779 10.6931 -7.50773 -32.0737 29.6322 10.693 29.6322 -4.22571 GPRESSAVG: 4950400 36.3551 -10.0143 11.8768 -6.57703 -32.039 28.6118 9.18852 28.6108 -3.85486 TIMING: 4950400 CPU: 15737.3, 0.0031789/step Wall: 15737.3, 0.0031789/step, 0.0437982 hours remaining, 238.289062 MB of memory in use. ENERGY: 4950400 3985.7226 20572.4238 14439.5638 255.9665 -203489.9443 2777.6746 0.0000 0.0000 52325.2158 -109133.3772 300.7137 -161458.5930 -108771.9999 300.0115 -72.4564 -38.6491 760299.5176 0.0294 0.1537 PRESSURE: 4950600 68.9548 40.5471 -51.5311 40.5464 219.973 25.0463 -51.5306 25.0454 -50.0747 GPRESSURE: 4950600 140.343 25.9037 -6.34122 2.44346 174.534 45.7877 -151.195 -46.8854 -0.124631 PRESSAVG: 4950600 54.8248 -25.3052 6.0432 -25.3052 1.90328 -60.1399 6.04326 -60.1399 4.44552 GPRESSAVG: 4950600 56.2897 -24.3577 4.86618 -26.915 2.54616 -59.7233 6.36727 -58.4092 2.31959 TIMING: 4950600 CPU: 15738, 0.00319885/step Wall: 15738, 0.00319885/step, 0.0438953 hours remaining, 238.289062 MB of memory in use. ENERGY: 4950600 4014.7591 20496.7216 14447.3770 248.9637 -203217.1206 2501.8711 0.0000 0.0000 52276.6531 -109230.7750 300.4346 -161507.4281 -108857.2092 300.0519 79.6178 104.9175 761605.8204 20.3912 20.3851 PRESSURE: 4950800 92.0008 -235.483 -143.247 -235.483 -480.765 126.662 -143.246 126.663 17.9098 GPRESSURE: 4950800 104.857 -86.2988 -149.271 -208.63 -401.976 153.487 -40.1846 56.5042 12.9728 PRESSAVG: 4950800 34.4178 -41.0057 3.89103 -41.0058 -49.6336 18.8872 3.89104 18.8872 7.37732 GPRESSAVG: 4950800 33.737 -40.3763 4.20515 -40.352 -50.8677 19.4849 2.61063 17.2442 9.00754 TIMING: 4950800 CPU: 15738.6, 0.00321913/step Wall: 15738.6, 0.00321913/step, 0.0439948 hours remaining, 238.289062 MB of memory in use. ENERGY: 4950800 3944.0904 20651.6135 14492.3299 263.0071 -203047.0636 2390.1036 0.0000 0.0000 51911.5880 -109394.3311 298.3366 -161305.9191 -109030.2527 299.6328 -123.6181 -94.7156 760693.8859 -2.6128 -2.7077 PRESSURE: 4951000 71.3971 38.1071 54.6552 38.1082 -222.269 -47.51 54.6553 -47.5093 95.2889 GPRESSURE: 4951000 28.3181 93.9389 -44.1716 95.3784 -48.4145 -143.781 58.9341 38.3362 45.0424 PRESSAVG: 4951000 -5.21486 -12.5859 -13.1199 -12.5859 -25.5079 -1.40097 -13.1199 -1.40099 13.4156 GPRESSAVG: 4951000 -4.63581 -11.8769 -13.9047 -13.9035 -23.4312 -2.36811 -12.6847 -1.39811 11.0853 TIMING: 4951000 CPU: 15739.2, 0.00319177/step Wall: 15739.2, 0.00319177/step, 0.0434435 hours remaining, 238.289062 MB of memory in use. ENERGY: 4951000 3998.6427 20550.5851 14424.8166 256.0423 -203275.4615 2477.0051 0.0000 0.0000 52149.1744 -109419.1953 299.7020 -161568.3697 -109062.1746 299.9231 -18.5276 8.3153 758688.4382 -5.7690 -5.6606 PRESSURE: 4951200 364.867 102.296 -80.6355 102.296 131.003 76.7415 -80.6358 76.7403 301.819 GPRESSURE: 4951200 372.007 103.358 -28.7686 82.9615 132.888 94.9991 -93.738 -15.26 374.273 PRESSAVG: 4951200 7.29842 -71.0741 23.1184 -71.0741 -24.8865 27.2554 23.1184 27.2554 10.4501 GPRESSAVG: 4951200 7.40478 -71.9129 24.1658 -68.6328 -25.5917 27.5918 22.8505 24.2901 11.1521 TIMING: 4951200 CPU: 15739.9, 0.00320184/step Wall: 15739.9, 0.00320184/step, 0.0434027 hours remaining, 238.289062 MB of memory in use. ENERGY: 4951200 3965.6916 20536.5543 14429.1095 251.8300 -203283.7018 2625.5163 0.0000 0.0000 51920.8064 -109554.1936 298.3896 -161475.0000 -109188.0997 299.5345 265.8966 293.0561 759610.8266 -2.3793 -2.3449 PRESSURE: 4951400 -68.724 -161.846 -233.517 -161.846 -207.208 -184.145 -233.517 -184.145 -501.839 GPRESSURE: 4951400 14.4308 -218.859 -190.829 -80.3047 -226.052 -64.2308 -137.64 -221.029 -465.164 PRESSAVG: 4951400 -6.7558 -7.27219 -4.16195 -7.27214 10.1372 -5.76265 -4.1619 -5.76259 1.4477 GPRESSAVG: 4951400 -7.8992 -7.69277 -3.82159 -7.99003 11.3698 -4.18036 -2.92391 -5.07556 1.29814 TIMING: 4951400 CPU: 15740.5, 0.00320625/step Wall: 15740.5, 0.00320625/step, 0.0432843 hours remaining, 238.289062 MB of memory in use. ENERGY: 4951400 4003.3517 20539.9827 14395.0784 265.0530 -203053.7861 2292.6858 0.0000 0.0000 51873.3101 -109684.3245 298.1166 -161557.6346 -109326.4637 298.6791 -259.2570 -225.5948 761841.9066 1.6097 1.5896 PRESSURE: 4951600 216.539 14.1905 -1.71159 14.1905 -127.962 -207.815 -1.71137 -207.815 226.831 GPRESSURE: 4951600 204.959 -46.4416 -39.084 11.0003 -9.38302 -210.205 -48.5124 -174.435 181.269 PRESSAVG: 4951600 30.9344 6.69939 62.6317 6.69936 -33.9205 -24.8637 62.6317 -24.8636 4.15004 GPRESSAVG: 4951600 31.2305 6.75037 61.1758 5.61663 -35.1108 -26.1416 63.4568 -24.0298 4.84578 TIMING: 4951600 CPU: 15741.2, 0.00319444/step Wall: 15741.2, 0.00319444/step, 0.0429475 hours remaining, 238.289062 MB of memory in use. ENERGY: 4951600 3993.8353 20520.6147 14401.0151 233.5772 -203405.1390 2528.7012 0.0000 0.0000 51943.9510 -109783.4445 298.5226 -161727.3955 -109423.0187 298.6191 105.1358 125.6149 759831.6778 0.3880 0.3218 PRESSURE: 4951800 8.74719 -131.463 25.509 -131.462 -212.154 -28.5226 25.5087 -28.5232 -206.339 GPRESSURE: 4951800 22.3104 -72.8941 -29.8807 -132.342 -127.706 -65.6937 19.1509 -20.1413 -216.199 PRESSAVG: 4951800 -26.8202 -67.1319 -10.7078 -67.1319 -0.851202 -4.59164 -10.7078 -4.5916 -4.07689 GPRESSAVG: 4951800 -27.6673 -65.5485 -10.821 -65.9407 -0.0488674 -4.81302 -12.6066 -3.27658 -3.77584 TIMING: 4951800 CPU: 15741.8, 0.00318149/step Wall: 15741.8, 0.00318149/step, 0.0425967 hours remaining, 238.289062 MB of memory in use. ENERGY: 4951800 3945.6760 20644.7233 14435.2263 256.4377 -203611.0795 2639.0807 0.0000 0.0000 52023.4163 -109666.5191 298.9793 -161689.9354 -109304.4804 299.0704 -136.5820 -107.1980 761512.2026 -10.5827 -10.4973 PRESSURE: 4952000 -166.366 18.0588 7.39566 18.0588 -238.799 -5.22345 7.39594 -5.22431 -200.587 GPRESSURE: 4952000 -32.9328 72.4218 60.6938 60.8255 -226.449 27.4317 30.968 120.418 -226.711 PRESSAVG: 4952000 -14.662 -74.2801 6.87921 -74.28 -5.26887 22.3274 6.87912 22.3275 22.3805 GPRESSAVG: 4952000 -12.6471 -75.6063 8.83465 -74.8475 -6.1361 24.0579 7.29733 19.1312 21.5331 TIMING: 4952000 CPU: 15742.4, 0.00319404/step Wall: 15742.4, 0.00319404/step, 0.0425872 hours remaining, 238.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4952000 4011.1730 20384.7044 14467.9995 234.3516 -203969.6192 2829.6978 0.0000 0.0000 52233.1752 -109808.5177 300.1848 -162041.6929 -109435.5182 298.9234 -201.9175 -162.0309 759258.1758 0.8165 0.9166 PRESSURE: 4952200 230.612 -201.747 -214.592 -201.747 30.3183 68.8136 -214.591 68.8128 -195.747 GPRESSURE: 4952200 221.772 -186.276 -231.751 -146.744 82.2628 80.9135 -142.705 194.371 -143.22 PRESSAVG: 4952200 -32.0507 -3.44793 34.9009 -3.44792 28.1689 -24.6645 34.9009 -24.6645 8.60307 GPRESSAVG: 4952200 -32.6197 -4.82877 32.6795 -3.12676 28.2594 -27.6382 35.7139 -20.1499 9.02364 TIMING: 4952200 CPU: 15743.1, 0.00319105/step Wall: 15743.1, 0.00319105/step, 0.04237 hours remaining, 238.289062 MB of memory in use. ENERGY: 4952200 3898.8302 20477.9506 14463.2079 236.8336 -203608.8840 2808.0243 0.0000 0.0000 51980.6799 -109743.3574 298.7337 -161724.0373 -109388.1518 298.8593 21.7277 53.6051 761083.0490 1.5737 1.5545 LDB: ============= START OF LOAD BALANCING ============== 15755.5 LDB: ============== END OF LOAD BALANCING =============== 15755.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15755.5 LDB: ============= START OF LOAD BALANCING ============== 15755.8 LDB: Largest compute 7025 load 0.035151 is 17.9% of average load 0.195998 LDB: Average compute 0.004408 is 2.2% of average load 0.195998 LDB: TIME 15755.8 LOAD: AVG 0.195998 MAX 0.217586 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.832 MB LDB: TIME 15755.8 LOAD: AVG 0.195998 MAX 0.217586 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.941 MB LDB: TIME 15755.8 LOAD: AVG 0.195998 MAX 0.217586 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.941 MB LDB: ============== END OF LOAD BALANCING =============== 15755.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15755.8 PRESSURE: 4952400 -105.037 -126.388 -55.9374 -126.388 -5.01836 -132.223 -55.9378 -132.223 23.1809 GPRESSURE: 4952400 26.0908 -72.8385 -60.1185 -68.7665 -76.541 -150.294 -22.1499 -88.8343 32.1306 PRESSAVG: 4952400 25.6634 -8.98534 21.9571 -8.98533 -22.0987 -32.2103 21.9571 -32.2103 -0.517864 GPRESSAVG: 4952400 24.7195 -8.70845 25.4515 -10.1179 -21.5336 -30.5055 19.8335 -33.7303 -0.132886 TIMING: 4952400 CPU: 15743.7, 0.00327529/step Wall: 15743.7, 0.00327529/step, 0.0433066 hours remaining, 238.410156 MB of memory in use. ENERGY: 4952400 3936.6879 20436.9895 14475.6089 253.9553 -203230.8471 2056.1147 0.0000 0.0000 52202.7398 -109868.7510 300.0099 -162071.4908 -109499.4111 298.5756 -28.9581 -6.1065 759652.2499 1.0156 1.0177 PRESSURE: 4952600 -3.99226 1.60277 -12.5908 1.60321 -422.267 15.5466 -12.59 15.5476 44.7063 GPRESSURE: 4952600 -30.9343 5.41766 77.6044 -70.6966 -272.182 3.40879 -143.368 64.7047 -15.2171 PRESSAVG: 4952600 44.3332 15.3146 22.9744 15.3147 -74.1307 -28.2457 22.9744 -28.2458 -26.9599 GPRESSAVG: 4952600 45.6443 16.2098 20.6413 15.4625 -74.3441 -29.2576 23.9883 -28.4429 -27.0989 TIMING: 4952600 CPU: 15744.4, 0.00317704/step Wall: 15744.4, 0.00317704/step, 0.041831 hours remaining, 238.410156 MB of memory in use. ENERGY: 4952600 3980.1168 20732.5325 14481.8878 231.3036 -203475.4156 2559.5327 0.0000 0.0000 51900.9282 -109589.1139 298.2753 -161490.0421 -109240.1124 298.9420 -127.1845 -106.1111 760478.9805 -18.9191 -18.5996 PRESSURE: 4952800 28.1187 19.9693 -105.903 19.9695 -45.9354 323.138 -105.903 323.138 338.173 GPRESSURE: 4952800 43.338 -28.565 -136.578 -7.50825 47.2447 248.707 -6.43961 245.222 316.152 PRESSAVG: 4952800 8.18598 -48.002 20.2163 -48.002 -42.4321 15.1203 20.2162 15.1203 4.5488 GPRESSAVG: 4952800 7.51869 -48.0716 19.8218 -48.6482 -41.9469 15.5964 20.6397 13.7935 4.47581 TIMING: 4952800 CPU: 15745, 0.00316831/step Wall: 15745, 0.00316831/step, 0.0415401 hours remaining, 238.410156 MB of memory in use. ENERGY: 4952800 3997.9800 20581.6617 14431.6623 249.7037 -203762.4337 2745.1533 0.0000 0.0000 52183.7647 -109572.5080 299.9008 -161756.2726 -109206.6798 299.1966 106.7854 135.5783 760953.0477 -9.8991 -9.9841 PRESSURE: 4953000 -17.7382 -157.451 140.241 -157.451 47.066 18.5663 140.242 18.5668 -430.615 GPRESSURE: 4953000 56.706 -136.15 106.666 23.2941 44.7049 -79.5657 92.6725 -12.4148 -419.358 PRESSAVG: 4953000 6.73989 -8.15357 48.3558 -8.15363 -17.1992 -57.3127 48.3558 -57.3126 10.368 GPRESSAVG: 4953000 8.19889 -7.82206 48.7348 -8.14728 -18.3883 -57.1092 47.3648 -55.5866 9.71913 TIMING: 4953000 CPU: 15745.6, 0.00319185/step Wall: 15745.6, 0.00319185/step, 0.0416714 hours remaining, 238.410156 MB of memory in use. ENERGY: 4953000 3953.3249 20559.2863 14443.0691 242.5253 -203652.5873 2678.7594 0.0000 0.0000 52210.8175 -109564.8047 300.0563 -161775.6223 -109206.5089 299.0854 -133.7623 -105.9824 763087.0483 -0.0304 -0.1568 PRESSURE: 4953200 -254.927 107.237 -19.8283 107.237 -193.747 -307.243 -19.8269 -307.243 197.441 GPRESSURE: 4953200 -213.565 90.8161 -91.6167 11.8585 -175.685 -239.458 83.5723 -391.989 223.408 PRESSAVG: 4953200 40.1716 -26.1217 -15.2746 -26.1217 -35.7297 -31.0811 -15.2746 -31.0812 -45.2828 GPRESSAVG: 4953200 39.4496 -27.1884 -15.4257 -25.5561 -36.0067 -30.7904 -14.1016 -34.0456 -44.83 TIMING: 4953200 CPU: 15746.3, 0.00318501/step Wall: 15746.3, 0.00318501/step, 0.0414051 hours remaining, 238.410156 MB of memory in use. ENERGY: 4953200 3984.9300 20482.3039 14397.2229 239.5778 -203585.3667 2606.3135 0.0000 0.0000 52129.7566 -109745.2619 299.5904 -161875.0185 -109382.7268 299.1447 -83.7447 -55.2807 762302.4538 -13.6136 -13.7957 PRESSURE: 4953400 357.828 12.1752 -328.472 12.1749 -344.801 -180.995 -328.473 -180.996 -274.225 GPRESSURE: 4953400 275.239 37.3476 -300.266 14.3754 -207.814 -169.397 -178.484 -151.732 -220.95 PRESSAVG: 4953400 -32.919 -45.5834 -35.4913 -45.5834 3.97051 27.6529 -35.4913 27.6529 24.4504 GPRESSAVG: 4953400 -34.9271 -44.8147 -34.4264 -46.2385 4.97829 27.7426 -33.0391 29.9511 24.8929 TIMING: 4953400 CPU: 15746.9, 0.00322015/step Wall: 15746.9, 0.00322015/step, 0.0416831 hours remaining, 238.410156 MB of memory in use. ENERGY: 4953400 3878.0188 20322.0950 14408.8032 214.1985 -203342.0744 2559.7794 0.0000 0.0000 52156.6326 -109802.5469 299.7449 -161959.1795 -109436.7247 298.8219 -87.0658 -51.1752 761222.3414 -1.4994 -1.6853 PRESSURE: 4953600 36.7815 -13.9083 86.9804 -13.9077 -205.496 195.645 86.9812 195.646 -222.072 GPRESSURE: 4953600 -38.6778 -51.1292 133.509 -141.157 -45.2516 137.977 -17.0388 189.073 -218.693 PRESSAVG: 4953600 -22.5404 38.7926 -24.453 38.7926 38.5482 1.44582 -24.4531 1.44578 -2.03295 GPRESSAVG: 4953600 -22.7145 37.0364 -25.7262 39.8663 39.4412 1.10048 -25.3587 2.33794 -3.60449 TIMING: 4953600 CPU: 15747.6, 0.00321471/step Wall: 15747.6, 0.00321471/step, 0.041434 hours remaining, 238.410156 MB of memory in use. ENERGY: 4953600 3964.9927 20591.7554 14350.9006 241.6147 -203555.1853 2674.6738 0.0000 0.0000 52040.3849 -109690.8632 299.0768 -161731.2481 -109326.1788 298.7931 -130.2623 -100.8743 761126.2291 4.6583 4.3741 PRESSURE: 4953800 173.332 16.8429 -38.7146 16.8419 -235.262 -148.828 -38.7148 -148.829 -54.8138 GPRESSURE: 4953800 125.707 33.0689 -58.0074 -51.7917 -122.032 -204.528 -69.1247 -91.8429 -15.4082 PRESSAVG: 4953800 -31.1272 -19.8001 -1.21837 -19.8001 -24.9766 -22.3796 -1.21835 -22.3796 -11.3712 GPRESSAVG: 4953800 -30.0589 -18.3256 0.255125 -21.1901 -26.6124 -21.7597 -3.2121 -23.6063 -10.967 TIMING: 4953800 CPU: 15748.2, 0.00316922/step Wall: 15748.2, 0.00316922/step, 0.0406716 hours remaining, 238.410156 MB of memory in use. ENERGY: 4953800 3973.7231 20380.0884 14439.2263 241.8602 -203633.5491 2774.3276 0.0000 0.0000 52187.4015 -109636.9219 299.9217 -161824.3234 -109260.1750 298.6971 -38.9147 -3.9113 760327.0051 -22.4917 -22.5461 PRESSURE: 4954000 -97.5102 -121.239 -5.35366 -121.239 -403.422 -133.692 -5.35433 -133.691 -263.937 GPRESSURE: 4954000 -73.309 -34.6778 43.7661 -77.7664 -396.276 -150.92 -159.16 -146.299 -217.879 PRESSAVG: 4954000 26.7305 -16.6799 -20.9214 -16.6799 -7.20362 -27.1415 -20.9214 -27.1415 -14.2813 GPRESSAVG: 4954000 27.0576 -15.4675 -21.1394 -14.2687 -6.96618 -27.2926 -22.6527 -27.0336 -14.8131 TIMING: 4954000 CPU: 15748.8, 0.00316809/step Wall: 15748.8, 0.0031681/step, 0.0404812 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4954000 4095.1775 20655.7768 14442.5087 225.3616 -203438.5783 2481.0747 0.0000 0.0000 52023.9154 -109514.7636 298.9822 -161538.6790 -109166.6691 299.1910 -254.9562 -229.1547 760796.7278 1.7485 1.7594 PRESSURE: 4954200 329.84 163.073 -116.59 163.073 -140.012 -68.8944 -116.59 -68.8957 -60.7205 GPRESSURE: 4954200 335.374 143.267 -107.944 177.079 -81.6666 -117.577 -159.3 -146.871 -35.2207 PRESSAVG: 4954200 13.5887 -25.3418 -9.11194 -25.3418 -20.2218 -15.6416 -9.11201 -15.6416 2.16632 GPRESSAVG: 4954200 13.38 -25.8312 -9.26548 -27.2489 -19.4387 -16.4342 -7.62723 -16.3384 2.02133 TIMING: 4954200 CPU: 15749.5, 0.00320998/step Wall: 15749.5, 0.00320998/step, 0.0408381 hours remaining, 238.410156 MB of memory in use. ENERGY: 4954200 4019.1612 20611.1059 14435.2819 241.2599 -203455.3604 2662.2502 0.0000 0.0000 52056.4450 -109429.8562 299.1691 -161486.3012 -109066.6888 299.3779 43.0360 72.8289 760268.0310 -1.4889 -1.3458 PRESSURE: 4954400 257.94 -156.738 -44.4898 -156.738 4.07166 -176.14 -44.4887 -176.14 -52.7399 GPRESSURE: 4954400 182.905 -136.479 -60.0979 -124.561 87.8591 -139.97 46.9847 -102.864 15.213 PRESSAVG: 4954400 22.3615 15.0608 8.53204 15.0608 -9.33202 20.1553 8.53205 20.1553 4.35317 GPRESSAVG: 4954400 22.886 14.4939 8.66366 16.2653 -11.3738 21.8536 11.9053 20.9908 5.01642 TIMING: 4954400 CPU: 15750.1, 0.00322634/step Wall: 15750.1, 0.00322634/step, 0.040867 hours remaining, 238.410156 MB of memory in use. ENERGY: 4954400 4028.1894 20712.0155 14479.0593 239.8745 -203578.1880 2523.4210 0.0000 0.0000 51968.2071 -109627.4212 298.6620 -161595.6284 -109266.4018 299.5514 69.7571 95.3258 759584.3174 5.7942 5.5095 PRESSURE: 4954600 28.3609 -97.5767 44.5293 -97.5759 -289.629 -37.7785 44.5295 -37.7777 -226.485 GPRESSURE: 4954600 97.2034 -90.2316 12.0325 -104.809 -211.265 47.2587 53.0222 -94.4966 -279.848 PRESSAVG: 4954600 30.9708 6.43424 -15.7939 6.43424 -77.6795 -15.9034 -15.7938 -15.9033 14.6935 GPRESSAVG: 4954600 29.8675 4.73496 -16.1507 8.56097 -75.1117 -16.4487 -17.6761 -15.0782 13.2011 TIMING: 4954600 CPU: 15750.8, 0.00322221/step Wall: 15750.8, 0.00322222/step, 0.0406357 hours remaining, 238.410156 MB of memory in use. ENERGY: 4954600 4074.9448 20566.6074 14454.0523 228.6618 -203794.6680 2761.6441 0.0000 0.0000 52155.2099 -109553.5477 299.7367 -161708.7576 -109174.8451 299.1843 -162.5847 -131.3035 759144.7724 -10.6718 -10.6810 PRESSURE: 4954800 -242.277 -199.616 31.4673 -199.617 253.295 -93.3966 31.4681 -93.3958 526.147 GPRESSURE: 4954800 -215.527 -149.712 6.74995 -53.9295 324.02 -26.466 -64.8958 -34.7346 527.249 PRESSAVG: 4954800 -27.2694 26.7353 19.844 26.7354 13.1438 5.75891 19.844 5.75881 15.9925 GPRESSAVG: 4954800 -26.6204 28.6481 19.1798 24.7823 11.5555 5.806 19.3776 7.8672 16.4486 TIMING: 4954800 CPU: 15751.4, 0.00318057/step Wall: 15751.4, 0.00318057/step, 0.0399338 hours remaining, 238.410156 MB of memory in use. ENERGY: 4954800 3946.0275 20711.2556 14425.1229 257.7416 -203565.9046 2603.1024 0.0000 0.0000 51871.3154 -109751.3392 298.1052 -161622.6546 -109401.4281 299.2065 179.0549 211.9142 760739.8470 0.6223 0.4612 PRESSURE: 4955000 149.063 107.467 107.808 107.466 -225.168 -259.947 107.806 -259.947 153.908 GPRESSURE: 4955000 211.519 130.498 164.476 112.944 -178.189 -257.116 171.964 -179.5 143.787 PRESSAVG: 4955000 4.34547 39.6337 43.4509 39.6337 -5.82961 17.9313 43.4508 17.9313 18.4074 GPRESSAVG: 4955000 3.47235 38.2651 43.2022 37.9928 -5.8581 16.3809 43.6521 17.5656 18.6104 TIMING: 4955000 CPU: 15752, 0.00317632/step Wall: 15752, 0.00317632/step, 0.039704 hours remaining, 238.410156 MB of memory in use. ENERGY: 4955000 3912.4409 20566.3098 14552.2517 234.5867 -203683.2346 2554.5258 0.0000 0.0000 52029.4462 -109833.6736 299.0139 -161863.1198 -109468.7409 299.2942 25.9344 59.0392 758574.1700 5.6411 5.4082 PRESSURE: 4955200 347.427 16.5058 -157.616 16.5061 -81.2851 -234.065 -157.615 -234.064 -158.401 GPRESSURE: 4955200 449.509 -124.548 -117.462 -65.7742 -110.579 -233.96 -98.2226 -94.7805 -123.202 PRESSAVG: 4955200 59.4779 -40.2665 16.5526 -40.2665 -28.8711 -26.9015 16.5526 -26.9015 -12.0407 GPRESSAVG: 4955200 59.0389 -39.8429 17.2539 -40.4209 -28.2372 -25.8436 18.5344 -28.2614 -11.4261 TIMING: 4955200 CPU: 15752.7, 0.00318619/step Wall: 15752.7, 0.00318619/step, 0.0396503 hours remaining, 238.410156 MB of memory in use. ENERGY: 4955200 3938.1018 20635.0505 14412.5692 244.0146 -203885.9322 2758.0408 0.0000 0.0000 52008.0076 -109890.1478 298.8907 -161898.1553 -109545.3061 299.1204 35.9136 71.9093 758971.2667 6.1887 6.4586 PRESSURE: 4955400 -28.028 29.5982 39.8891 29.5988 21.2916 -217.618 39.8903 -217.618 -56.2336 GPRESSURE: 4955400 43.0707 -47.549 49.9566 -22.9046 24.9738 -240.709 -77.1449 -250.448 -59.0625 PRESSAVG: 4955400 66.3458 -49.4853 -41.7389 -49.4852 -44.7725 -41.0975 -41.7389 -41.0977 17.0708 GPRESSAVG: 4955400 67.9575 -49.3924 -42.4031 -50.0878 -46.0329 -41.3393 -44.3156 -39.9134 16.583 TIMING: 4955400 CPU: 15753.3, 0.00318584/step Wall: 15753.3, 0.00318584/step, 0.039469 hours remaining, 238.410156 MB of memory in use. ENERGY: 4955400 3963.3930 20403.8730 14478.4999 222.4348 -203364.7969 2340.4459 0.0000 0.0000 52159.5067 -109796.6436 299.7614 -161956.1503 -109419.0372 298.6181 -20.9900 2.9940 759201.6705 12.8814 12.8358 PRESSURE: 4955600 12.1983 -169.833 77.5773 -169.834 -65.8233 -139.798 77.5781 -139.798 -106.966 GPRESSURE: 4955600 46.1668 -173.805 133.884 -132.739 36.2425 -88.676 -16.5644 -96.6476 -140.149 PRESSAVG: 4955600 1.77396 -66.1322 1.29702 -66.1322 9.76441 -8.11826 1.29699 -8.11822 -7.40217 GPRESSAVG: 4955600 1.63603 -67.4436 2.0431 -62.837 8.9635 -7.74475 3.60459 -8.79018 -6.36647 TIMING: 4955600 CPU: 15753.9, 0.00316503/step Wall: 15753.9, 0.00316503/step, 0.0390354 hours remaining, 238.410156 MB of memory in use. ENERGY: 4955600 4020.8432 20769.6298 14467.5001 241.0108 -203319.5264 2490.9704 0.0000 0.0000 51707.8422 -109621.7299 297.1657 -161329.5722 -109267.6803 298.7882 -53.5302 -19.2465 759801.5519 1.3787 1.4110 PRESSURE: 4955800 432.881 -24.583 63.8697 -24.5823 -65.8442 93.2473 63.8694 93.248 9.60024 GPRESSURE: 4955800 377.454 55.0836 108.738 48.8756 47.3991 157.016 11.8442 175.052 32.7724 PRESSAVG: 4955800 -33.4631 -30.6856 -7.50812 -30.6856 3.34434 -38.1682 -7.50815 -38.1683 15.3725 GPRESSAVG: 4955800 -34.6475 -30.5861 -5.97187 -31.3495 4.5321 -37.8852 -8.3635 -39.5288 15.4445 TIMING: 4955800 CPU: 15754.6, 0.00317525/step Wall: 15754.6, 0.00317525/step, 0.038985 hours remaining, 238.410156 MB of memory in use. ENERGY: 4955800 4036.3968 20724.4566 14468.5531 254.0277 -203752.5031 2753.1171 0.0000 0.0000 51968.1239 -109547.8278 298.6615 -161515.9517 -109187.8973 298.7904 125.5455 152.5419 760493.4879 -4.9154 -4.8903 PRESSURE: 4956000 421.608 66.9115 140.747 66.9109 137.684 98.289 140.747 98.2887 9.13109 GPRESSURE: 4956000 373.888 57.2293 142.853 111.186 218.281 83.1673 219.445 49.0084 58.5127 PRESSAVG: 4956000 43.4125 -53.1638 38.3539 -53.1638 4.88805 56.9076 38.3538 56.9077 -0.748757 GPRESSAVG: 4956000 43.5474 -52.981 37.8947 -52.3031 4.61074 56.3918 39.3644 56.464 -0.892794 TIMING: 4956000 CPU: 15755.2, 0.00319255/step Wall: 15755.2, 0.00319255/step, 0.0390201 hours remaining, 238.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4956000 3981.8714 20670.1712 14463.1759 234.2788 -204184.8281 2958.7953 0.0000 0.0000 52156.5371 -109719.9985 299.7443 -161876.5356 -109370.9344 299.3468 189.4743 216.8940 760936.6872 15.8506 15.7551 PRESSURE: 4956200 279.786 58.735 -86.1747 58.7355 -194.834 4.25659 -86.1742 4.25664 -263.57 GPRESSURE: 4956200 255.243 -16.0248 -89.5424 79.6791 -107.074 65.3342 -117.89 -86.765 -247.332 PRESSAVG: 4956200 -40.4342 -37.6849 -25.9427 -37.6849 27.3771 -2.77764 -25.9428 -2.77763 -9.09003 GPRESSAVG: 4956200 -40.0529 -36.8679 -25.0673 -40.269 27.2767 0.240621 -27.3898 -2.98617 -9.20228 TIMING: 4956200 CPU: 15755.9, 0.00319225/step Wall: 15755.9, 0.00319225/step, 0.038839 hours remaining, 238.410156 MB of memory in use. ENERGY: 4956200 3993.9670 20453.6072 14501.2420 250.9587 -203679.4670 2630.9960 0.0000 0.0000 52004.8494 -109843.8467 298.8726 -161848.6962 -109495.0734 299.1641 -59.5392 -33.0540 760895.7158 -7.3824 -7.3261 LDB: ============= START OF LOAD BALANCING ============== 15768.3 LDB: ============== END OF LOAD BALANCING =============== 15768.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15768.3 LDB: ============= START OF LOAD BALANCING ============== 15768.6 LDB: Largest compute 7047 load 0.033379 is 17.0% of average load 0.195997 LDB: Average compute 0.004417 is 2.3% of average load 0.195997 LDB: TIME 15768.6 LOAD: AVG 0.195997 MAX 0.219771 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.949 MB LDB: TIME 15768.6 LOAD: AVG 0.195997 MAX 0.219771 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 15768.6 LOAD: AVG 0.195997 MAX 0.219771 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 15768.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15768.6 PRESSURE: 4956400 -201.443 9.74672 7.54681 9.74665 -9.7665 6.09493 7.54689 6.09471 -187.346 GPRESSURE: 4956400 -190.714 -22.7705 8.78867 -77.4911 1.78975 46.0423 -3.8909 0.48174 -147.167 PRESSAVG: 4956400 -39.5718 21.6591 -42.0263 21.6591 26.3423 18.9279 -42.0264 18.9279 3.60099 GPRESSAVG: 4956400 -38.8935 20.8066 -43.1139 22.4915 25.3503 16.1259 -40.4907 20.9064 3.88522 TIMING: 4956400 CPU: 15756.5, 0.00328225/step Wall: 15756.5, 0.00328225/step, 0.0397517 hours remaining, 238.535156 MB of memory in use. ENERGY: 4956400 3959.7968 20697.3682 14391.2280 242.9440 -203499.8266 2439.5341 0.0000 0.0000 52045.5279 -109723.4277 299.1064 -161768.9556 -109363.9149 298.9900 -132.8521 -112.0305 760698.0189 -3.2095 -3.2193 PRESSURE: 4956600 -301.054 48.5697 216.381 48.5701 -390.558 82.6943 216.382 82.6934 -627.041 GPRESSURE: 4956600 -246.456 54.1241 243.343 102.459 -320.69 65.9062 261.781 62.8087 -652.253 PRESSAVG: 4956600 9.16252 -7.63476 -10.5631 -7.63478 -5.7276 -6.03024 -10.5631 -6.03017 3.79714 GPRESSAVG: 4956600 8.10412 -6.2552 -11.9376 -8.00867 -4.53811 -3.8151 -11.4491 -8.25914 3.36818 TIMING: 4956600 CPU: 15757.2, 0.00320499/step Wall: 15757.2, 0.00320499/step, 0.0386379 hours remaining, 238.738281 MB of memory in use. ENERGY: 4956600 3990.8028 20555.3509 14419.7643 246.6341 -203196.1119 2500.4606 0.0000 0.0000 51647.2501 -109835.8491 296.8175 -161483.0991 -109476.0083 299.0701 -439.5510 -406.4662 760935.5428 2.4107 2.3114 PRESSURE: 4956800 -239.21 -37.5446 246.327 -37.5451 -139.588 -4.40884 246.327 -4.40993 27.6968 GPRESSURE: 4956800 -196.4 -22.7457 225.867 -97.0853 -123.064 -50.4724 282.261 91.0154 30.8262 PRESSAVG: 4956800 10.9538 -37.8181 -4.32092 -37.8181 30.5878 -9.0425 -4.32086 -9.04257 -5.20313 GPRESSAVG: 4956800 11.8981 -38.5238 -1.15864 -37.0366 29.8891 -12.1796 -5.39215 -7.14324 -6.27234 TIMING: 4956800 CPU: 15757.8, 0.00319733/step Wall: 15757.8, 0.00319733/step, 0.0383679 hours remaining, 238.738281 MB of memory in use. ENERGY: 4956800 4013.2829 20471.1625 14414.4708 250.3195 -203599.4984 2536.4520 0.0000 0.0000 52002.8652 -109910.9456 298.8612 -161913.8108 -109547.7237 298.4362 -117.0337 -96.2123 758850.4957 12.1128 11.8383 PRESSURE: 4957000 15.2197 -188.783 -113.866 -188.783 48.3409 -169.271 -113.866 -169.271 -22.337 GPRESSURE: 4957000 52.5025 -144.04 -201.99 -196.091 57.2297 -104.395 -81.3833 -26.2925 16.0722 PRESSAVG: 4957000 -24.75 -25.1973 30.2538 -25.1973 9.97319 -45.5788 30.2538 -45.5788 12.2616 GPRESSAVG: 4957000 -27.1121 -24.7378 26.7619 -25.9694 9.98147 -44.6118 33.7273 -45.3146 14.2564 TIMING: 4957000 CPU: 15758.4, 0.00321643/step Wall: 15758.4, 0.00321642/step, 0.0384184 hours remaining, 238.738281 MB of memory in use. ENERGY: 4957000 3988.8844 20403.8397 14456.2241 241.8829 -203554.4391 2758.8435 0.0000 0.0000 52105.5120 -109599.2525 299.4511 -161704.7645 -109222.4844 299.3049 13.7412 41.9348 760972.6230 -0.8384 -0.9581 PRESSURE: 4957200 -193.558 -292.273 -133.816 -292.272 -258.295 -66.9288 -133.816 -66.9298 -255.335 GPRESSURE: 4957200 -174.372 -226.887 -90.8354 -288.643 -239.994 -120.217 -91.7322 -64.7265 -203.233 PRESSAVG: 4957200 -1.25688 -30.2334 -0.401528 -30.2334 -2.76677 44.6047 -0.401533 44.6046 6.91974 GPRESSAVG: 4957200 -0.669881 -30.3902 1.52584 -27.5612 -2.68939 43.3484 -2.98568 45.2427 5.90797 TIMING: 4957200 CPU: 15759.1, 0.00319524/step Wall: 15759.1, 0.00319524/step, 0.0379879 hours remaining, 238.738281 MB of memory in use. ENERGY: 4957200 4023.5925 20592.7458 14449.6573 256.1039 -203370.4003 2543.3959 0.0000 0.0000 51968.4419 -109536.4630 298.6633 -161504.9049 -109177.8367 299.2645 -235.7292 -205.8664 760752.9666 0.9654 0.8496 PRESSURE: 4957400 -273.987 -188.384 3.67939 -188.384 -187.722 70.2831 3.67865 70.2819 49.7842 GPRESSURE: 4957400 -298.825 -185.772 -74.8194 -177.867 -115.179 16.0844 153.013 73.7359 94.0133 PRESSAVG: 4957400 14.6845 -40.629 1.39672 -40.6289 -35.3487 -3.56722 1.39682 -3.56723 -11.2354 GPRESSAVG: 4957400 15.0664 -39.5329 1.30025 -41.9026 -35.0383 -2.74296 1.64066 -5.52777 -11.8687 TIMING: 4957400 CPU: 15759.7, 0.00320694/step Wall: 15759.7, 0.00320694/step, 0.0379488 hours remaining, 238.738281 MB of memory in use. ENERGY: 4957400 3996.1311 20389.7078 14385.0550 268.7937 -203343.0330 2494.3042 0.0000 0.0000 52303.7977 -109505.2435 300.5906 -161809.0412 -109136.1164 299.3851 -137.3082 -106.6636 760187.9519 -10.6332 -10.6135 PRESSURE: 4957600 127.029 -148.184 -35.0573 -148.184 213.725 -117.195 -35.0575 -117.195 -98.5343 GPRESSURE: 4957600 129.115 -181.099 -42.4207 -104.942 257.301 -62.3618 16.6319 -82.8462 -53.5644 PRESSAVG: 4957600 12.3796 -68.1114 2.87746 -68.1114 14.6435 41.5423 2.87742 41.5423 14.1245 GPRESSAVG: 4957600 13.4849 -68.9617 2.04177 -67.3837 13.4991 41.8744 2.3297 41.7246 14.0181 TIMING: 4957600 CPU: 15760.4, 0.00317245/step Wall: 15760.4, 0.00317245/step, 0.0373644 hours remaining, 238.738281 MB of memory in use. ENERGY: 4957600 3978.7334 20363.0687 14415.2726 247.3630 -203352.0514 2588.8750 0.0000 0.0000 52129.4611 -109629.2776 299.5887 -161758.7387 -109267.7347 299.3142 80.7398 110.9505 759629.4344 13.7159 13.6674 PRESSURE: 4957800 60.2542 24.5304 177.505 24.5301 185.407 -6.3141 177.506 -6.31527 -68.8664 GPRESSURE: 4957800 123.626 3.6868 243.433 -5.28252 184.6 63.8531 147.44 9.784 -28.7861 PRESSAVG: 4957800 -61.8308 -56.817 50.3028 -56.817 51.0483 -5.32622 50.3028 -5.32634 24.3225 GPRESSAVG: 4957800 -63.6438 -58.5439 52.0525 -56.67 51.7822 -5.16061 50.3632 -4.53513 25.2277 TIMING: 4957800 CPU: 15761, 0.00318881/step Wall: 15761, 0.00318881/step, 0.0373799 hours remaining, 238.738281 MB of memory in use. ENERGY: 4957800 3981.9033 20338.6522 14447.8361 273.7642 -203606.1826 2774.5900 0.0000 0.0000 52077.6463 -109711.7907 299.2909 -161789.4370 -109334.4008 299.0200 58.9316 93.1465 758328.9340 4.5133 4.4554 PRESSURE: 4958000 205.552 -193.264 318.105 -193.264 -20.56 -26.6639 318.105 -26.6643 356.063 GPRESSURE: 4958000 221.16 -72.6452 367.517 -212.263 29.9631 -108.92 237.291 144.507 371.256 PRESSAVG: 4958000 -42.4607 -56.9256 24.8362 -56.9257 74.7665 13.9063 24.8362 13.9062 12.3783 GPRESSAVG: 4958000 -38.929 -56.2042 24.5435 -56.2639 72.9973 12.4482 25.0556 15.758 10.4073 TIMING: 4958000 CPU: 15761.6, 0.00318569/step Wall: 15761.6, 0.00318569/step, 0.0371664 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4958000 3909.7703 20660.7613 14379.7420 259.9981 -203748.5108 2793.4701 0.0000 0.0000 51990.0775 -109754.6915 298.7877 -161744.7690 -109391.3209 299.0295 180.3519 207.4598 758768.0049 14.8947 14.8252 PRESSURE: 4958200 20.8849 19.7777 46.2227 19.7785 -487.636 -114.762 46.2228 -114.761 -189.617 GPRESSURE: 4958200 -5.68385 33.7861 64.1872 42.3619 -388.076 -209.297 18.4196 -206.613 -172.042 PRESSAVG: 4958200 32.831 -70.7886 23.4764 -70.7887 15.1191 15.2424 23.4764 15.2424 -1.02351 GPRESSAVG: 4958200 29.4618 -69.1788 22.5635 -72.5815 16.4421 15.4709 20.9251 13.2935 0.638629 TIMING: 4958200 CPU: 15762.3, 0.0032009/step Wall: 15762.3, 0.0032009/step, 0.037166 hours remaining, 238.738281 MB of memory in use. ENERGY: 4958200 3965.6747 20527.7435 14434.7429 234.3407 -203125.1132 2181.0676 0.0000 0.0000 51865.1324 -109916.4114 298.0696 -161781.5438 -109559.7010 298.7465 -218.7894 -188.6006 760202.3779 15.6422 15.5142 PRESSURE: 4958400 -173.409 -243.677 -28.9794 -243.677 -104.54 136.147 -28.9805 136.147 95.6332 GPRESSURE: 4958400 -89.1185 -202.742 -63.997 -280.837 -165.046 178.384 -93.4842 168.159 159.906 PRESSAVG: 4958400 -41.1351 -32.4039 4.11936 -32.4039 23.7839 4.02432 4.11935 4.02433 0.718223 GPRESSAVG: 4958400 -41.2188 -31.8055 4.53312 -33.3229 24.021 3.35268 5.75449 5.42071 1.31228 TIMING: 4958400 CPU: 15762.9, 0.00319844/step Wall: 15762.9, 0.00319844/step, 0.0369597 hours remaining, 238.738281 MB of memory in use. ENERGY: 4958400 3979.0306 20416.8047 14359.2968 236.2296 -202782.3827 2131.0505 0.0000 0.0000 51782.4682 -109877.5023 297.5946 -161659.9704 -109512.4054 298.2975 -60.7721 -31.4194 761501.6992 -5.5443 -5.2952 PRESSURE: 4958600 -78.1523 120.428 -3.34998 120.428 -401.384 -63.1107 -3.35039 -63.1107 -638.368 GPRESSURE: 4958600 -101.759 218.469 -21.4264 244.784 -327.844 -60.2129 36.4909 -169.75 -614.049 PRESSAVG: 4958600 -20.9811 -42.7277 20.4036 -42.7277 6.35548 31.6144 20.4036 31.6144 11.0512 GPRESSAVG: 4958600 -20.2899 -44.0672 19.9193 -40.6988 6.90648 30.9357 20.2339 31.8874 9.98802 TIMING: 4958600 CPU: 15763.6, 0.00321629/step Wall: 15763.6, 0.00321629/step, 0.0369873 hours remaining, 238.738281 MB of memory in use. ENERGY: 4958600 4031.7560 20415.6782 14376.1196 247.0593 -203099.0607 2300.9116 0.0000 0.0000 52020.6658 -109706.8702 298.9635 -161727.5360 -109348.8124 298.7868 -372.6348 -347.8839 760970.4488 -1.1915 -1.1318 PRESSURE: 4958800 80.592 20.4822 283.777 20.483 186.415 64.5445 283.778 64.5453 -225.47 GPRESSURE: 4958800 84.0828 32.3907 279.935 45.7286 242.861 -26.3897 223.543 114.014 -206.986 PRESSAVG: 4958800 -14.4958 -51.8721 41.7475 -51.8721 -7.69662 8.04113 41.7476 8.04119 -15.4934 GPRESSAVG: 4958800 -13.7658 -50.1865 43.0941 -52.7301 -8.1062 11.5369 43.8053 6.64972 -16.1974 TIMING: 4958800 CPU: 15764.2, 0.00320588/step Wall: 15764.2, 0.00320588/step, 0.0366895 hours remaining, 238.738281 MB of memory in use. ENERGY: 4958800 4028.8344 20398.3035 14367.5477 247.9292 -203303.1400 2534.6101 0.0000 0.0000 51940.1008 -109785.8142 298.5005 -161725.9150 -109422.7797 298.3278 13.8456 39.9858 761300.8120 -12.5619 -12.6898 PRESSURE: 4959000 -159.601 30.0146 101.495 30.0148 99.672 -159.352 101.495 -159.351 -254.748 GPRESSURE: 4959000 -225.779 -83.0131 13.0323 -54.9172 182.539 -247.432 88.187 -260.406 -187.143 PRESSAVG: 4959000 -6.80981 -55.8845 0.445812 -55.8846 7.52231 9.43648 0.445783 9.43648 -7.49379 GPRESSAVG: 4959000 -6.9187 -57.111 0.0543668 -55.0119 7.44004 7.76618 -1.66868 9.60487 -7.32217 TIMING: 4959000 CPU: 15764.8, 0.0031938/step Wall: 15764.8, 0.0031938/step, 0.0363739 hours remaining, 238.738281 MB of memory in use. ENERGY: 4959000 3973.0687 20339.1734 14424.6393 270.2900 -203355.6022 2752.7597 0.0000 0.0000 51769.3827 -109826.2886 297.5194 -161595.6713 -109468.3955 298.0724 -104.8925 -76.7941 762626.4526 -2.2604 -2.2669 PRESSURE: 4959200 -143.693 -151.905 -21.694 -151.904 448.906 -170.876 -21.694 -170.876 138.09 GPRESSURE: 4959200 -65.3757 -90.0053 -50.129 -135.967 348.356 -141.538 -94.4476 -141.001 223.129 PRESSAVG: 4959200 -50.3774 -92.6392 2.24448 -92.6391 8.3556 1.42907 2.24447 1.42905 -8.06869 GPRESSAVG: 4959200 -51.2378 -92.5151 1.61007 -93.4138 8.62798 3.00764 2.11645 1.82111 -8.17516 TIMING: 4959200 CPU: 15765.5, 0.00321592/step Wall: 15765.5, 0.00321592/step, 0.0364471 hours remaining, 238.738281 MB of memory in use. ENERGY: 4959200 3928.6406 20409.5425 14383.0577 231.2503 -203626.8761 2730.9671 0.0000 0.0000 51938.5884 -110004.8294 298.4918 -161943.4178 -109651.6345 298.3149 147.7677 168.7030 762234.6602 -16.6968 -16.9283 PRESSURE: 4959400 -323.238 -116.51 -78.5377 -116.51 -105.6 57.0706 -78.5385 57.0704 -121.444 GPRESSURE: 4959400 -369.664 -122.274 -185.876 -211.689 -7.11133 61.6179 -8.83823 105.989 -81.9614 PRESSAVG: 4959400 18.5095 -58.0078 -31.848 -58.0077 26.5822 36.6815 -31.848 36.6815 -2.74926 GPRESSAVG: 4959400 18.3624 -57.6122 -31.128 -58.3404 26.1595 34.5715 -32.68 38.0973 -1.88001 TIMING: 4959400 CPU: 15766.1, 0.00318444/step Wall: 15766.1, 0.00318444/step, 0.0359134 hours remaining, 238.738281 MB of memory in use. ENERGY: 4959400 3965.9629 20498.3641 14437.3095 252.9041 -203315.3594 2393.1063 0.0000 0.0000 52083.8540 -109683.8585 299.3266 -161767.7126 -109323.4541 297.9520 -183.4272 -152.9121 761110.2065 14.1142 14.2139 PRESSURE: 4959600 -244.124 -124.121 151.411 -124.121 -161.546 106.742 151.41 106.742 78.9827 GPRESSURE: 4959600 -234.63 -104.1 109.64 -148.397 -67.5445 64.8694 -89.7392 90.4228 87.6824 PRESSAVG: 4959600 8.61289 -53.0645 14.9484 -53.0645 27.8879 7.20643 14.9484 7.20639 20.0936 GPRESSAVG: 4959600 8.3313 -53.9561 14.2547 -52.3175 28.5397 7.46019 14.7576 4.76712 19.9682 TIMING: 4959600 CPU: 15766.7, 0.00318945/step Wall: 15766.7, 0.00318945/step, 0.0357927 hours remaining, 238.738281 MB of memory in use. ENERGY: 4959600 3953.7870 20495.0673 14449.5155 245.8759 -203894.3682 2898.5493 0.0000 0.0000 52103.6927 -109747.8805 299.4406 -161851.5733 -109389.2930 298.6917 -108.8955 -71.4972 758477.7043 18.8648 18.9464 PRESSURE: 4959800 -72.7967 -74.7533 -63.2431 -74.7537 5.94097 71.5963 -63.2429 71.5957 -428.331 GPRESSURE: 4959800 -51.2308 -132.962 -79.6501 120.965 8.29373 104.854 34.5754 17.112 -369.189 PRESSAVG: 4959800 21.192 -68.1742 -24.645 -68.1742 -3.93269 15.9202 -24.645 15.9203 19.7194 GPRESSAVG: 4959800 21.1146 -67.649 -24.7338 -69.6629 -4.28243 16.802 -24.1632 16.0279 19.3685 TIMING: 4959800 CPU: 15767.4, 0.00318919/step Wall: 15767.4, 0.00318918/step, 0.0356126 hours remaining, 238.738281 MB of memory in use. ENERGY: 4959800 4013.5247 20618.4186 14463.3230 241.2708 -203160.8802 2278.9633 0.0000 0.0000 51794.4495 -109750.9304 297.6634 -161545.3799 -109408.1285 298.8796 -165.0622 -137.3755 761180.3407 12.3262 12.0669 PRESSURE: 4960000 -261.022 16.7313 -112.727 16.7314 -202.905 162.44 -112.727 162.439 -356.826 GPRESSURE: 4960000 -279.575 71.2546 -109.193 151.058 -132.304 229.335 -84.6054 135.294 -324.55 PRESSAVG: 4960000 -52.8394 -25.0504 25.658 -25.0505 12.7128 4.49265 25.658 4.49269 -19.2488 GPRESSAVG: 4960000 -52.9159 -23.057 23.8496 -23.6854 13.3705 4.25297 27.8501 6.66874 -19.7249 TIMING: 4960000 CPU: 15768, 0.00319318/step Wall: 15768, 0.00319318/step, 0.0354798 hours remaining, 238.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4960000 4037.2129 20334.3292 14456.0923 255.1222 -203961.5235 2786.8875 0.0000 0.0000 52076.2262 -110015.6534 299.2828 -162091.8795 -109653.3999 298.5447 -273.5840 -245.4763 760348.0595 -19.7918 -19.7567 PRESSURE: 4960200 -113.457 236.927 -130.851 236.928 69.6311 -8.10129 -130.852 -8.09953 172.602 GPRESSURE: 4960200 -68.261 175.084 -173.729 179.69 112.682 -35.751 -176.288 -174.791 176.206 PRESSAVG: 4960200 6.0703 -41.2534 -28.5833 -41.2532 34.3413 -25.4325 -28.5833 -25.4326 6.5396 GPRESSAVG: 4960200 7.45033 -43.9269 -26.616 -42.6082 33.0138 -26.2075 -29.3224 -26.7254 6.46093 TIMING: 4960200 CPU: 15768.7, 0.00317133/step Wall: 15768.7, 0.00317133/step, 0.0350608 hours remaining, 238.738281 MB of memory in use. ENERGY: 4960200 4022.2303 20574.1287 14440.9549 248.8169 -204070.6155 2942.4156 0.0000 0.0000 51800.4895 -110041.5796 297.6981 -161842.0691 -109698.5441 298.6382 42.9253 73.5422 760598.7139 15.6504 15.6417 LDB: ============= START OF LOAD BALANCING ============== 15781.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15781.1 LDB: =============== DONE WITH MIGRATION ================ 15781.1 LDB: ============= START OF LOAD BALANCING ============== 15781.4 LDB: Largest compute 7034 load 0.034732 is 17.7% of average load 0.196093 LDB: Average compute 0.004414 is 2.3% of average load 0.196093 LDB: TIME 15781.4 LOAD: AVG 0.196093 MAX 0.216003 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.699 MB LDB: TIME 15781.4 LOAD: AVG 0.196093 MAX 0.216003 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: TIME 15781.4 LOAD: AVG 0.196093 MAX 0.216003 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.699 MB LDB: ============== END OF LOAD BALANCING =============== 15781.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15781.4 PRESSURE: 4960400 -58.5729 30.5459 109.695 30.5462 239.258 118.035 109.694 118.036 67.0485 GPRESSURE: 4960400 -50.7308 -35.4378 140.546 23.1519 322.253 128.614 125.545 27.6462 48.2924 PRESSAVG: 4960400 12.0241 1.03094 -43.5389 1.03095 23.282 22.3547 -43.5389 22.3548 18.0254 GPRESSAVG: 4960400 10.7811 2.35813 -43.4469 1.96985 23.4457 22.7278 -42.5941 22.6526 19.194 TIMING: 4960400 CPU: 15769.3, 0.00328364/step Wall: 15769.3, 0.00328364/step, 0.0361201 hours remaining, 238.152344 MB of memory in use. ENERGY: 4960400 3948.8821 20448.6965 14463.4912 221.2743 -204009.0478 2853.2498 0.0000 0.0000 52097.1494 -109976.3044 299.4030 -162073.4539 -109607.4204 298.7752 82.5778 106.6048 760330.3920 17.7772 17.8069 PRESSURE: 4960600 206.807 -192.6 179.87 -192.6 94.4552 13.8812 179.87 13.8821 -221.468 GPRESSURE: 4960600 244.837 -55.8572 204.623 -138.536 22.8348 48.3956 81.8645 75.4106 -100.033 PRESSAVG: 4960600 11.6581 -15.1829 34.0837 -15.1829 -7.25724 21.8312 34.0837 21.8313 -29.7878 GPRESSAVG: 4960600 11.3433 -14.9486 31.9873 -16.3667 -8.08199 20.5613 33.2506 24.789 -28.9147 TIMING: 4960600 CPU: 15770, 0.00321218/step Wall: 15770, 0.00321218/step, 0.0351556 hours remaining, 238.355469 MB of memory in use. ENERGY: 4960600 3930.4278 20594.0832 14395.9872 246.2542 -203529.0679 2460.4311 0.0000 0.0000 52066.7263 -109835.1582 299.2282 -161901.8845 -109476.7446 298.3828 26.5981 55.8795 760175.7943 -8.4623 -8.5511 PRESSURE: 4960800 -191.051 21.2725 -22.5812 21.2724 -33.7844 -115.721 -22.5802 -115.721 236.934 GPRESSURE: 4960800 -200.939 -18.7562 -31.3175 60.9844 119.144 -96.3099 34.6276 -228.896 179.842 PRESSAVG: 4960800 -6.65061 -5.37488 -1.83278 -5.37489 -17.7977 11.8095 -1.83287 11.8095 8.62692 GPRESSAVG: 4960800 -6.03129 -7.36424 -0.229063 -3.67115 -16.8746 12.0062 -0.849309 9.64733 7.56385 TIMING: 4960800 CPU: 15770.6, 0.00318811/step Wall: 15770.6, 0.00318811/step, 0.034715 hours remaining, 238.355469 MB of memory in use. ENERGY: 4960800 3985.7260 20371.0787 14405.0635 253.1224 -203210.7014 2472.9121 0.0000 0.0000 52103.6262 -109619.1724 299.4403 -161722.7985 -109266.2451 298.7524 4.0328 32.6820 760582.4549 -5.2738 -5.1140 PRESSURE: 4961000 712.3 -50.0666 194.306 -50.0657 339.761 51.4246 194.307 51.4259 -0.986055 GPRESSURE: 4961000 713.903 -39.8848 90.5344 -46.6813 340.275 128.823 100.268 -4.32549 85.0569 PRESSAVG: 4961000 26.97 -45.8528 30.1774 -45.8528 29.7953 22.7413 30.1774 22.7413 3.66252 GPRESSAVG: 4961000 26.7579 -43.3247 30.4287 -46.7753 30.0413 22.038 29.9795 20.7946 3.47511 TIMING: 4961000 CPU: 15771.2, 0.00318597/step Wall: 15771.2, 0.00318597/step, 0.0345147 hours remaining, 238.355469 MB of memory in use. ENERGY: 4961000 3913.4320 20757.5186 14453.4963 263.0374 -203734.0445 2743.4298 0.0000 0.0000 51984.4136 -109618.7168 298.7551 -161603.1304 -109261.7027 298.7403 350.3584 379.7451 759978.0741 20.1426 20.0915 PRESSURE: 4961200 -268.764 226.558 -90.0167 226.558 3.83499 159.307 -90.0166 159.306 -283.287 GPRESSURE: 4961200 -214.636 224.493 -65.2151 215.661 -28.5917 106.211 21.6366 -8.23093 -246.426 PRESSAVG: 4961200 -42.5901 -15.2476 1.39298 -15.2476 22.8606 -62.0029 1.39295 -62.0028 29.7488 GPRESSAVG: 4961200 -42.762 -16.819 0.616637 -15.2547 21.4477 -61.397 2.29716 -61.5381 30.754 TIMING: 4961200 CPU: 15771.9, 0.00322046/step Wall: 15771.9, 0.00322046/step, 0.0347094 hours remaining, 238.355469 MB of memory in use. ENERGY: 4961200 3968.1190 20553.2123 14472.1430 248.8913 -203201.0350 2337.4583 0.0000 0.0000 52198.2333 -109422.9777 299.9840 -161621.2110 -109058.1938 299.3248 -182.7386 -163.2181 761231.6485 3.3398 3.1466 PRESSURE: 4961400 -115.868 81.5675 -129.215 81.5674 -165.642 -83.8618 -129.215 -83.8617 91.1907 GPRESSURE: 4961400 -47.804 41.4883 -209.714 46.5696 -109.889 -14.4441 -128.564 -46.8715 64.1336 PRESSAVG: 4961400 -12.8479 -4.53479 2.47047 -4.53475 34.0093 -25.4897 2.47048 -25.4896 4.98804 GPRESSAVG: 4961400 -12.665 -3.08135 4.13794 -3.5699 34.9461 -24.3995 1.67491 -25.3568 4.26635 TIMING: 4961400 CPU: 15772.5, 0.00321981/step Wall: 15772.5, 0.00321981/step, 0.0345235 hours remaining, 238.355469 MB of memory in use. ENERGY: 4961400 3972.5157 20684.7483 14410.1755 240.1830 -203194.7539 2174.5240 0.0000 0.0000 52275.5200 -109437.0874 300.4281 -161712.6074 -109078.8897 300.1215 -63.4398 -31.1865 760201.5888 8.7165 8.8491 PRESSURE: 4961600 160.536 -18.0694 -42.1696 -18.0694 127.426 -203.722 -42.1685 -203.721 370.189 GPRESSURE: 4961600 241.525 -22.3535 -90.8064 22.8342 136.886 -133.888 83.7137 -358.659 361.671 PRESSAVG: 4961600 31.1326 2.04472 -9.49216 2.04474 -20.1815 -27.4813 -9.49212 -27.4812 2.42979 GPRESSAVG: 4961600 31.7007 0.672572 -9.96342 1.52454 -19.5875 -28.5624 -9.1271 -28.441 2.14674 TIMING: 4961600 CPU: 15773.2, 0.00319906/step Wall: 15773.2, 0.00319906/step, 0.0341233 hours remaining, 238.355469 MB of memory in use. ENERGY: 4961600 3960.6776 20561.9780 14442.2179 253.5626 -203544.2381 2845.9743 0.0000 0.0000 52172.1124 -109307.7154 299.8338 -161479.8278 -108956.4696 299.7473 219.3835 246.6941 761344.9643 4.4603 4.7533 PRESSURE: 4961800 -23.8978 -235.771 -26.8427 -235.771 135.088 8.27193 -26.8426 8.27215 -7.05256 GPRESSURE: 4961800 33.6545 -246.701 -113.591 -49.2515 166.347 17.1101 -69.2089 42.4182 -6.93527 PRESSAVG: 4961800 28.5952 -17.6729 -0.486858 -17.6729 -39.5264 -22.1265 -0.486834 -22.1265 5.01061 GPRESSAVG: 4961800 28.6599 -18.1005 -1.52064 -16.245 -40.3937 -21.6672 -2.89991 -20.7331 5.17723 TIMING: 4961800 CPU: 15773.8, 0.00325087/step Wall: 15773.8, 0.00325087/step, 0.0344953 hours remaining, 238.355469 MB of memory in use. ENERGY: 4961800 4032.5506 20572.6116 14444.2500 237.7759 -203727.6304 2617.5555 0.0000 0.0000 52258.6760 -109564.2110 300.3313 -161822.8870 -109208.7658 300.2461 34.7126 64.3554 760710.3822 -1.9735 -2.1855 PRESSURE: 4962000 179.164 -466.901 -74.3524 -466.901 415.293 38.3891 -74.3529 38.3893 1.19187 GPRESSURE: 4962000 291.41 -370.755 -68.57 -478.2 357.3 -10.3992 -104.381 35.4504 41.3248 PRESSAVG: 4962000 26.299 -61.3226 -53.8256 -61.3225 19.7063 -0.201002 -53.8256 -0.20103 2.61943 GPRESSAVG: 4962000 25.6915 -58.4281 -51.2625 -61.912 20.369 0.706073 -54.1436 0.865656 2.17354 TIMING: 4962000 CPU: 15774.5, 0.00322937/step Wall: 15774.5, 0.00322937/step, 0.0340878 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4962000 4012.9987 20796.8480 14415.2982 242.2679 -204381.7049 3018.9821 0.0000 0.0000 52270.8085 -109624.5016 300.4011 -161895.3100 -109273.8249 299.8215 198.5497 230.0114 759080.9014 16.2083 16.0780 PRESSURE: 4962200 -135.265 -98.7769 47.6778 -98.7762 -241.969 -101.382 47.6781 -101.382 -228.992 GPRESSURE: 4962200 -99.9266 -68.1466 11.9616 -139.433 -103.719 -69.9012 136.846 -188.449 -291.073 PRESSAVG: 4962200 24.6249 -53.9863 -42.2621 -53.9864 -23.7623 -15.4474 -42.2622 -15.4474 -15.0106 GPRESSAVG: 4962200 24.5697 -55.9864 -42.9653 -54.0062 -23.4805 -15.6337 -41.0133 -16.8835 -14.9896 TIMING: 4962200 CPU: 15775.1, 0.00321582/step Wall: 15775.1, 0.00321582/step, 0.0337661 hours remaining, 238.355469 MB of memory in use. ENERGY: 4962200 3978.6779 20413.9855 14385.1604 222.6089 -202923.5719 2237.9052 0.0000 0.0000 52094.4261 -109590.8078 299.3874 -161685.2339 -109225.4046 299.2689 -202.0751 -164.9062 761493.1514 -4.7160 -4.6335 PRESSURE: 4962400 -189.174 33.8674 97.9818 33.8671 -185.897 -151.512 97.9813 -151.512 -621.664 GPRESSURE: 4962400 -145.898 -36.2738 85.8421 59.1655 -216.466 -157.267 32.2791 -186.49 -532.706 PRESSAVG: 4962400 21.8534 -7.67785 -18.3751 -7.67787 -20.1827 -27.3767 -18.3751 -27.3767 7.71067 GPRESSAVG: 4962400 22.5126 -6.87431 -19.0493 -7.17416 -20.4994 -29.1083 -18.3036 -27.9602 6.94709 TIMING: 4962400 CPU: 15775.7, 0.00320477/step Wall: 15775.7, 0.00320477/step, 0.0334721 hours remaining, 238.355469 MB of memory in use. ENERGY: 4962400 3997.9418 20502.6065 14478.6959 250.3701 -202922.0189 2022.7975 0.0000 0.0000 51988.7890 -109680.8180 298.7803 -161669.6070 -109312.5952 299.2723 -332.2451 -298.3568 760563.3694 3.1271 2.9868 PRESSURE: 4962600 -60.2543 -368.091 63.528 -368.09 -89.6163 120.8 63.5283 120.8 65.175 GPRESSURE: 4962600 79.7088 -259.7 203.027 -264.074 -101.054 70.2273 21.2871 61.2733 24.4028 PRESSAVG: 4962600 22.1537 -69.2975 -9.10009 -69.2975 1.93439 18.3163 -9.10007 18.3163 -16.7794 GPRESSAVG: 4962600 21.4643 -70.6617 -8.96035 -69.5115 2.24965 20.4964 -10.3476 18.15 -16.7626 TIMING: 4962600 CPU: 15776.4, 0.00322561/step Wall: 15776.4, 0.00322562/step, 0.0335106 hours remaining, 238.355469 MB of memory in use. ENERGY: 4962600 3941.2437 20486.6133 14439.1430 225.9986 -203313.6855 2472.0837 0.0000 0.0000 52063.6771 -109684.9260 299.2107 -161748.6031 -109322.2050 299.2450 -28.2319 1.0192 759969.5583 2.4362 2.3171 PRESSURE: 4962800 -7.83078 -95.2878 72.3125 -95.2874 -224.508 277.713 72.3118 277.713 -104.192 GPRESSURE: 4962800 32.8721 -38.1588 119.207 -54.7899 -97.6985 237.885 33.0228 242.197 -176.064 PRESSAVG: 4962800 21.9144 -45.5824 -14.4371 -45.5824 -39.2342 -19.1635 -14.4371 -19.1635 15.4267 GPRESSAVG: 4962800 22.9686 -44.7009 -15.6491 -48.041 -38.8275 -20.7606 -14.1652 -18.3536 14.0377 TIMING: 4962800 CPU: 15777, 0.00319877/step Wall: 15777, 0.00319878/step, 0.033054 hours remaining, 238.355469 MB of memory in use. ENERGY: 4962800 3944.0815 20410.4068 14420.0031 257.8254 -202913.7654 2304.6854 0.0000 0.0000 51902.8602 -109673.9029 298.2865 -161576.7631 -109307.1550 298.8148 -112.1767 -80.2967 762240.5597 -0.6310 -0.6071 PRESSURE: 4963000 8.4641 -94.0582 -106.806 -94.0573 -42.9487 -233.516 -106.807 -233.516 -133.255 GPRESSURE: 4963000 73.9042 -119.58 -71.6607 -82.0759 -30.9075 -192.577 -9.54357 -107.689 -139.122 PRESSAVG: 4963000 27.8512 33.1198 -26.3766 33.1198 6.04599 45.7475 -26.3766 45.7475 32.907 GPRESSAVG: 4963000 27.2258 33.5996 -27.5174 34.4509 5.06721 45.895 -25.9029 48.9409 34.4705 TIMING: 4963000 CPU: 15777.7, 0.00325146/step Wall: 15777.7, 0.00325146/step, 0.0334178 hours remaining, 238.355469 MB of memory in use. ENERGY: 4963000 4001.9452 20655.3310 14452.1283 240.3727 -203420.3631 2619.4310 0.0000 0.0000 52003.3016 -109447.8533 298.8637 -161451.1548 -109082.1480 299.0756 -55.9131 -32.0419 760691.3982 22.2681 22.2545 PRESSURE: 4963200 -103.815 83.9939 142.353 83.9942 -273.375 -63.9566 142.353 -63.9577 -283.769 GPRESSURE: 4963200 -39.0288 147.282 36.215 80.8058 -226.369 65.5118 126.172 -24.5023 -297.345 PRESSAVG: 4963200 15.64 -35.6102 -17.5817 -35.6102 -38.2977 39.475 -17.5817 39.4749 -7.83479 GPRESSAVG: 4963200 15.6973 -37.0542 -17.1018 -36.7203 -36.9075 39.1851 -14.843 39.9461 -8.77069 TIMING: 4963200 CPU: 15778.3, 0.00326849/step Wall: 15778.3, 0.00326849/step, 0.0334112 hours remaining, 238.355469 MB of memory in use. ENERGY: 4963200 3976.4231 20686.0265 14458.8520 238.7229 -203125.2767 2361.8164 0.0000 0.0000 52229.8036 -109173.6322 300.1654 -161403.4359 -108806.2632 299.5365 -220.3196 -187.5808 760929.8150 -10.1642 -9.9936 PRESSURE: 4963400 266.208 -170.062 -143.936 -170.062 294.037 32.4192 -143.936 32.4188 324.466 GPRESSURE: 4963400 296.178 -205.449 -78.5978 -144.323 328.143 22.5701 -120.543 -46.5497 350.083 PRESSAVG: 4963400 36.0881 -56.4663 55.393 -56.4663 -25.1829 -30.8403 55.393 -30.8403 -8.44453 GPRESSAVG: 4963400 35.4614 -56.2081 55.5511 -55.1282 -24.7314 -31.0983 52.8686 -33.7809 -8.28006 TIMING: 4963400 CPU: 15779, 0.00327135/step Wall: 15779, 0.00327136/step, 0.0332588 hours remaining, 238.355469 MB of memory in use. ENERGY: 4963400 4023.9955 20718.6856 14386.2843 231.2643 -203465.9333 2766.8322 0.0000 0.0000 52134.9976 -109203.8739 299.6205 -161338.8715 -108848.4254 299.8923 294.9034 324.8011 760756.0011 0.8202 0.8166 PRESSURE: 4963600 158.353 -179.188 68.7203 -179.187 -34.9258 -147.5 68.7195 -147.5 -83.6478 GPRESSURE: 4963600 73.21 -246.76 102.605 -140.158 57.4855 -76.5324 134.079 -154.344 -2.31587 PRESSAVG: 4963600 -50.9026 18.0985 -27.1405 18.0985 40.3509 -69.3007 -27.1405 -69.3006 -15.3188 GPRESSAVG: 4963600 -50.2508 19.2526 -25.0736 17.2414 39.0275 -66.9903 -27.0918 -70.4099 -14.5212 TIMING: 4963600 CPU: 15779.6, 0.00323665/step Wall: 15779.6, 0.00323665/step, 0.0327261 hours remaining, 238.355469 MB of memory in use. ENERGY: 4963600 3899.4387 20709.6395 14434.8683 238.7576 -203256.6288 2570.6311 0.0000 0.0000 52146.6857 -109256.6079 299.6877 -161403.2935 -108888.6004 300.4550 13.2598 42.7932 761122.8915 -8.6235 -8.5815 PRESSURE: 4963800 -212.584 131.702 -1.57175 131.702 -230.63 -153.779 -1.57043 -153.779 144.685 GPRESSURE: 4963800 -179.737 135.731 -42.9105 173.942 -183.091 -147.824 50.4697 -123.064 131.774 PRESSAVG: 4963800 41.6404 15.0751 6.55422 15.0751 4.90955 -32.8536 6.55428 -32.8537 -9.50198 GPRESSAVG: 4963800 40.6872 16.9607 5.16705 14.5036 5.59523 -35.2751 5.86104 -30.1205 -8.83719 TIMING: 4963800 CPU: 15780.3, 0.00322777/step Wall: 15780.3, 0.00322777/step, 0.032457 hours remaining, 238.355469 MB of memory in use. ENERGY: 4963800 3995.5283 20503.7870 14447.8781 271.6778 -203315.3195 2509.2066 0.0000 0.0000 52373.9448 -109213.2969 300.9938 -161587.2417 -108856.3895 300.2879 -99.5095 -77.0184 761365.2462 12.3493 12.4817 PRESSURE: 4964000 267.707 -94.7703 -222.324 -94.7706 161.931 -29.6668 -222.323 -29.6668 56.316 GPRESSURE: 4964000 332.794 -138.837 -276.669 -68.4111 144.239 6.41496 -126.238 -43.1006 103.257 PRESSAVG: 4964000 -16.1348 10.1032 -14.5812 10.1032 -15.6229 -24.609 -14.5811 -24.609 15.6595 GPRESSAVG: 4964000 -15.3487 5.97508 -14.2449 13.3157 -15.2448 -24.5615 -13.6937 -25.7003 14.9298 TIMING: 4964000 CPU: 15780.9, 0.00320511/step Wall: 15780.9, 0.0032051/step, 0.032051 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4964000 3882.8414 20677.0378 14498.5207 232.4424 -203192.9248 2417.8446 0.0000 0.0000 52192.6391 -109291.5990 299.9518 -161484.2380 -108937.2728 299.7100 161.9847 193.4301 760399.7453 -5.3661 -5.2212 PRESSURE: 4964200 54.1985 -153.639 47.4593 -153.639 -56.4098 -34.4071 47.4593 -34.4076 12.3252 GPRESSURE: 4964200 85.6296 -120.279 81.9078 -68.0327 -104.269 41.5827 73.0866 -86.4692 118.665 PRESSAVG: 4964200 24.066 -12.5942 -13.0839 -12.5941 6.31342 10.124 -13.0839 10.1241 -3.20296 GPRESSAVG: 4964200 23.7055 -9.9143 -13.2314 -15.8717 5.07926 10.6034 -13.8552 11.2654 -2.41998 TIMING: 4964200 CPU: 15781.6, 0.00321132/step Wall: 15781.6, 0.00321132/step, 0.0319348 hours remaining, 238.355469 MB of memory in use. ENERGY: 4964200 3979.4246 20409.4868 14436.4752 242.6965 -203048.5480 2460.6065 0.0000 0.0000 52401.8596 -109117.9986 301.1542 -161519.8582 -108752.6929 300.5095 3.3713 33.3419 760890.2926 9.0588 8.7883 LDB: ============= START OF LOAD BALANCING ============== 15794 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15794 LDB: =============== DONE WITH MIGRATION ================ 15794 LDB: ============= START OF LOAD BALANCING ============== 15794.3 LDB: Largest compute 7034 load 0.034137 is 17.4% of average load 0.195979 LDB: Average compute 0.004427 is 2.3% of average load 0.195979 LDB: TIME 15794.3 LOAD: AVG 0.195979 MAX 0.214551 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 15794.3 LOAD: AVG 0.195979 MAX 0.214551 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: TIME 15794.3 LOAD: AVG 0.195979 MAX 0.214551 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: ============== END OF LOAD BALANCING =============== 15794.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15794.3 PRESSURE: 4964400 117.849 -203.619 20.3939 -203.618 344.156 -112.306 20.3941 -112.307 297.818 GPRESSURE: 4964400 138.674 -158.981 -54.2379 -171.628 395.993 -108.932 93.629 -22.5928 301.361 PRESSAVG: 4964400 34.6248 -37.5173 -11.71 -37.5174 -45.6956 1.2606 -11.71 1.26055 5.94106 GPRESSAVG: 4964400 34.957 -38.2864 -10.1119 -36.3249 -46.3005 1.13187 -11.8099 -0.905721 5.79598 TIMING: 4964400 CPU: 15782.2, 0.00328719/step Wall: 15782.2, 0.00328719/step, 0.0325067 hours remaining, 239.386719 MB of memory in use. ENERGY: 4964400 3982.8695 20701.6216 14408.8181 238.2611 -203686.2716 2881.5470 0.0000 0.0000 52203.3405 -109269.8139 300.0133 -161473.1544 -108915.3684 299.8822 253.2743 278.6760 760656.7225 -1.7099 -1.8492 PRESSURE: 4964600 -71.1998 -218.871 -179.016 -218.872 267.347 -208.84 -179.016 -208.841 -426.456 GPRESSURE: 4964600 -12.605 -239.563 -135.477 -249.213 196.206 -180.043 -177.3 -147.497 -322.921 PRESSAVG: 4964600 11.9772 -59.2339 17.133 -59.2338 -7.91008 -0.685991 17.133 -0.686021 -5.08194 GPRESSAVG: 4964600 11.4527 -58.985 15.0929 -57.0787 -8.30592 1.38769 17.3506 -1.64288 -4.07617 TIMING: 4964600 CPU: 15782.9, 0.0032443/step Wall: 15782.9, 0.0032443/step, 0.0319023 hours remaining, 239.457031 MB of memory in use. ENERGY: 4964600 3958.7426 20521.8083 14415.5106 255.4599 -203335.2999 2684.3430 0.0000 0.0000 52047.6857 -109451.7498 299.1188 -161499.4355 -109087.3296 299.6235 -76.7695 -46.4402 760531.2371 -0.3383 -0.3098 PRESSURE: 4964800 0.537193 20.4901 58.3637 20.4904 -188.314 -57.682 58.3637 -57.6832 -454.037 GPRESSURE: 4964800 15.4147 -21.7662 18.3977 64.8291 -49.2199 21.9618 151.344 -108.646 -512.764 PRESSAVG: 4964800 10.0681 -54.3238 22.3606 -54.3238 12.0279 -61.6043 22.3606 -61.6043 15.0365 GPRESSAVG: 4964800 10.9202 -56.8876 20.5845 -55.8917 12.9119 -62.3774 23.9576 -59.6655 13.4815 TIMING: 4964800 CPU: 15783.5, 0.00324076/step Wall: 15783.5, 0.00324076/step, 0.0316875 hours remaining, 239.457031 MB of memory in use. ENERGY: 4964800 4088.2759 20487.1690 14406.7051 261.3122 -203199.4393 2600.7640 0.0000 0.0000 51897.5086 -109457.7045 298.2557 -161355.2131 -109104.7578 299.8045 -213.9380 -182.1896 761895.9809 12.3775 12.4379 PRESSURE: 4965000 87.7256 -127.153 122.203 -127.153 -215.363 -80.4692 122.204 -80.4686 -328.74 GPRESSURE: 4965000 33.2735 -67.0565 145.339 -81.1448 -86.3315 -40.9061 135.726 47.8795 -330.084 PRESSAVG: 4965000 -25.3751 -18.3281 25.1622 -18.3281 11.55 -6.68836 25.1622 -6.68836 17.361 GPRESSAVG: 4965000 -26.3192 -15.6747 25.2783 -16.6229 13.6152 -8.50986 24.3624 -7.20182 16.7264 TIMING: 4965000 CPU: 15784.2, 0.00322678/step Wall: 15784.2, 0.00322678/step, 0.0313715 hours remaining, 239.457031 MB of memory in use. ENERGY: 4965000 4093.3833 20662.8438 14480.7320 244.2052 -203188.2921 2368.0314 0.0000 0.0000 51900.4997 -109438.5967 298.2729 -161339.0964 -109087.7267 299.5546 -152.1258 -127.7139 761730.4814 1.1786 1.3408 PRESSURE: 4965200 -155.566 -205.935 -187.828 -205.934 -98.2012 53.9981 -187.829 53.9977 -175.942 GPRESSURE: 4965200 -171.698 -256.527 -200.286 -133.206 -8.138 24.1507 -155.388 46.7593 -161.875 PRESSAVG: 4965200 -27.6582 -25.8921 -58.2837 -25.892 -55.1447 -23.7938 -58.2836 -23.7937 -9.40676 GPRESSAVG: 4965200 -26.968 -27.814 -55.6447 -24.5351 -56.2783 -22.2179 -58.1939 -25.6039 -8.73166 TIMING: 4965200 CPU: 15784.8, 0.00319872/step Wall: 15784.8, 0.00319872/step, 0.0309209 hours remaining, 239.457031 MB of memory in use. ENERGY: 4965200 4007.9112 20524.2254 14420.1835 230.2815 -203203.4118 2377.0345 0.0000 0.0000 52029.7500 -109614.0257 299.0157 -161643.7756 -109263.3098 298.9166 -143.2364 -113.9035 761611.8705 -30.7365 -30.6593 PRESSURE: 4965400 -86.667 123.735 28.4436 123.735 -471.324 -76.2256 28.4432 -76.2256 -584.209 GPRESSURE: 4965400 -121.883 56.2633 38.5487 67.7289 -337.488 -80.1042 -25.9617 -28.9525 -579.317 PRESSAVG: 4965400 73.02 -30.9889 -10.6378 -30.989 -52.3849 -17.8397 -10.6378 -17.8397 3.11933 GPRESSAVG: 4965400 72.93 -30.9482 -10.9367 -32.0812 -52.0755 -18.3709 -11.1388 -16.2012 2.8539 TIMING: 4965400 CPU: 15785.4, 0.00322211/step Wall: 15785.4, 0.00322211/step, 0.0309681 hours remaining, 239.457031 MB of memory in use. ENERGY: 4965400 3983.7742 20591.3531 14379.7401 255.2429 -203069.4197 2293.1408 0.0000 0.0000 52065.1591 -109501.0095 299.2192 -161566.1686 -109142.8657 299.3333 -380.7333 -346.2294 761199.9719 7.9182 7.9028 PRESSURE: 4965600 74.772 -151.685 87.3631 -151.685 140.055 -119.276 87.3622 -119.277 83.9285 GPRESSURE: 4965600 120.597 -105.908 182.502 -229.5 77.366 -141.77 56.2033 -103.265 203.926 PRESSAVG: 4965600 55.2592 -50.4121 -12.9189 -50.4121 -78.7006 17.3177 -12.9189 17.3177 23.2602 GPRESSAVG: 4965600 55.7343 -49.7545 -15.7861 -52.0888 -78.7023 18.5148 -13.0414 19.3823 23.2655 TIMING: 4965600 CPU: 15786.1, 0.00318251/step Wall: 15786.1, 0.00318251/step, 0.0304107 hours remaining, 239.457031 MB of memory in use. ENERGY: 4965600 4037.5906 20493.0137 14456.0276 244.8572 -203435.6749 2604.1077 0.0000 0.0000 52201.6803 -109398.3977 300.0038 -161600.0781 -109029.5457 299.1937 99.5853 133.9630 760423.4722 -0.0604 0.0992 PRESSURE: 4965800 71.7306 -125.298 -317.031 -125.297 -233.798 82.5056 -317.031 82.5066 -6.94225 GPRESSURE: 4965800 28.7112 -100.111 -378.239 -166.307 -199.063 86.1676 -153.172 -14.8515 83.0694 PRESSAVG: 4965800 9.18689 -27.9927 -18.7108 -27.9928 -24.306 43.996 -18.7107 43.9959 -9.62615 GPRESSAVG: 4965800 9.70274 -26.5538 -15.4423 -29.9118 -24.897 43.088 -18.0132 43.3228 -9.24941 TIMING: 4965800 CPU: 15786.7, 0.0032245/step Wall: 15786.7, 0.0032245/step, 0.0306328 hours remaining, 239.457031 MB of memory in use. ENERGY: 4965800 3987.9114 20560.5475 14403.0918 260.9907 -203071.8541 2436.9278 0.0000 0.0000 52063.6349 -109358.7499 299.2104 -161422.3848 -108993.4554 299.6609 -56.3366 -29.0940 760435.2323 -8.2484 -8.1479 PRESSURE: 4966000 128.2 70.1347 8.11797 70.1348 79.2777 -393.833 8.11804 -393.834 0.350121 GPRESSURE: 4966000 225.411 -25.6158 -27.0466 78.4311 23.4539 -379.155 60.8867 -341.861 44.7334 PRESSAVG: 4966000 -6.25329 -22.5384 -4.72899 -22.5384 32.2217 26.9859 -4.72894 26.9858 25.4194 GPRESSAVG: 4966000 -6.947 -22.433 -4.89758 -20.1717 32.0209 27.6965 -5.65264 26.3684 25.4919 TIMING: 4966000 CPU: 15787.4, 0.0032288/step Wall: 15787.4, 0.0032288/step, 0.0304942 hours remaining, 239.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4966000 3980.6200 20541.6051 14454.9893 278.1476 -203596.9555 2617.8106 0.0000 0.0000 52150.5162 -109573.2666 299.7097 -161723.7829 -109211.7095 299.6802 69.2761 97.8662 760246.1524 17.1293 16.8553 PRESSURE: 4966200 -87.9755 -90.8728 -9.21146 -90.8728 -242.51 -65.0109 -9.21147 -65.0119 96.1817 GPRESSURE: 4966200 -26.4442 -104.88 126.872 -182.798 -197.677 -0.735434 -0.121611 -79.4707 88.0188 PRESSAVG: 4966200 14.6735 -17.6039 -30.0442 -17.6039 -27.0266 -26.479 -30.0443 -26.479 -11.2139 GPRESSAVG: 4966200 15.9514 -18.0578 -30.3931 -17.2179 -27.0618 -27.1392 -29.0793 -26.7226 -12.1562 TIMING: 4966200 CPU: 15788, 0.00323009/step Wall: 15788, 0.00323009/step, 0.030327 hours remaining, 239.457031 MB of memory in use. ENERGY: 4966200 4105.3196 20546.2409 14471.0027 253.4429 -203590.9451 2559.6014 0.0000 0.0000 52042.6065 -109612.7311 299.0896 -161655.3376 -109254.9534 299.0154 -78.1011 -45.3675 761411.5726 -7.8557 -7.7555 PRESSURE: 4966400 -252.429 2.7889 -59.8805 2.78993 -243.328 69.7427 -59.8808 69.7419 -52.0404 GPRESSURE: 4966400 -248.211 15.4056 -44.2473 -0.00299643 -183.928 69.81 -101.747 109.013 -41.2418 PRESSAVG: 4966400 41.9205 4.20873 9.57259 4.20873 -52.504 -8.58259 9.57261 -8.58246 24.7883 GPRESSAVG: 4966400 40.9374 4.47615 9.10486 3.66979 -53.0722 -8.5577 7.25934 -7.68187 26.2598 TIMING: 4966400 CPU: 15788.7, 0.00325653/step Wall: 15788.7, 0.00325653/step, 0.0303943 hours remaining, 239.457031 MB of memory in use. ENERGY: 4966400 4066.6351 20608.6814 14432.3097 215.0286 -203303.1971 2375.6124 0.0000 0.0000 52006.8007 -109598.1292 298.8838 -161604.9299 -109232.3555 299.0484 -182.5991 -157.7937 758988.9733 4.7349 4.7083 PRESSURE: 4966600 24.0534 -244.719 135.858 -244.718 -348.896 -314.672 135.858 -314.674 55.8588 GPRESSURE: 4966600 27.2055 -271.266 180.17 -178.899 -220.343 -299.911 234.263 -264.706 29.2104 PRESSAVG: 4966600 82.4365 21.0043 43.2409 21.0044 -13.3844 17.9449 43.2408 17.9449 1.70058 GPRESSAVG: 4966600 81.6638 20.3627 42.9719 21.0401 -11.8959 17.9621 43.7428 18.2666 0.852957 TIMING: 4966600 CPU: 15789.3, 0.00323212/step Wall: 15789.3, 0.00323212/step, 0.0299869 hours remaining, 239.457031 MB of memory in use. ENERGY: 4966600 3984.5224 20442.4469 14453.1556 257.0365 -203420.2050 2498.3076 0.0000 0.0000 52206.0200 -109578.7159 300.0287 -161784.7359 -109204.0436 299.3183 -89.6614 -54.6422 759975.6610 23.5842 23.5403 PRESSURE: 4966800 -454.681 -161.014 116.036 -161.015 -169.251 -62.4345 116.036 -62.4348 -9.84191 GPRESSURE: 4966800 -359.484 -31.1594 109.438 -266.642 -153.456 -73.432 115.78 2.71633 -51.587 PRESSAVG: 4966800 77.7959 -41.1351 8.87142 -41.1351 -56.3742 42.1745 8.87144 42.1744 22.9114 GPRESSAVG: 4966800 77.8922 -39.8434 8.58432 -42.1912 -55.7503 42.2626 9.66561 38.1034 22.5437 TIMING: 4966800 CPU: 15790, 0.00325073/step Wall: 15790, 0.00325073/step, 0.0299789 hours remaining, 239.457031 MB of memory in use. ENERGY: 4966800 4009.5281 20481.6698 14531.4854 269.9665 -202789.3339 2016.2047 0.0000 0.0000 51973.2114 -109507.2680 298.6908 -161480.4794 -109134.8627 298.9105 -211.2582 -188.1756 761968.5672 14.7777 14.8952 PRESSURE: 4967000 100.504 -278.685 108.055 -278.685 -155.622 -85.1729 108.055 -85.1729 316.243 GPRESSURE: 4967000 62.6727 -274.2 146.279 -223.004 -100.745 -100.902 99.5354 -72.0812 402.637 PRESSAVG: 4967000 53.4537 -63.9809 29.8407 -63.9809 -72.3094 12.9887 29.8407 12.9887 -2.23406 GPRESSAVG: 4967000 52.737 -63.97 30.3768 -61.9601 -71.5792 14.2054 28.9908 14.3039 -2.12062 TIMING: 4967000 CPU: 15790.6, 0.00321628/step Wall: 15790.6, 0.00321628/step, 0.0294825 hours remaining, 239.457031 MB of memory in use. ENERGY: 4967000 3899.8522 20674.3411 14496.3637 248.8970 -202939.2768 2227.8633 0.0000 0.0000 51884.5155 -109507.4439 298.1810 -161391.9595 -109145.0078 299.4047 87.0419 121.5214 760751.2487 -7.0299 -6.9876 PRESSURE: 4967200 117.233 -37.2888 63.2726 -37.2887 -207.891 -20.6803 63.273 -20.6808 -470.752 GPRESSURE: 4967200 106.17 -27.99 100.155 -187.851 -133.376 5.45317 66.5185 -29.8751 -423.404 PRESSAVG: 4967200 32.9345 -64.9653 -7.7501 -64.9652 -16.2481 -4.95341 -7.75012 -4.95339 13.8019 GPRESSAVG: 4967200 33.0739 -66.791 -6.77179 -66.2639 -17.1047 -5.21632 -8.59646 -1.63872 14.559 TIMING: 4967200 CPU: 15791.3, 0.0032337/step Wall: 15791.3, 0.0032337/step, 0.0294626 hours remaining, 239.457031 MB of memory in use. ENERGY: 4967200 4036.8375 20531.2524 14321.8851 239.9933 -203370.4244 2656.3874 0.0000 0.0000 51978.2788 -109605.7899 298.7199 -161584.0687 -109253.6185 298.9135 -187.1367 -150.2031 759351.7368 10.1628 10.1760 PRESSURE: 4967400 -158.99 -60.3537 -201.724 -60.3541 218.326 -35.3415 -201.723 -35.3415 -15.9844 GPRESSURE: 4967400 -99.2537 -37.9467 -173.587 -131.925 177.56 -63.8374 -89.3531 -83.8239 66.9702 PRESSAVG: 4967400 64.3594 -37.621 -27.5962 -37.621 0.169408 44.9401 -27.5963 44.9402 10.673 GPRESSAVG: 4967400 65.0109 -36.9953 -29.5213 -36.6598 -1.14857 46.2246 -24.5885 43.1028 11.0402 TIMING: 4967400 CPU: 15791.9, 0.00320356/step Wall: 15791.9, 0.00320357/step, 0.0290101 hours remaining, 239.457031 MB of memory in use. ENERGY: 4967400 4034.8885 20526.1874 14416.7229 255.9176 -203319.9705 2449.2660 0.0000 0.0000 52188.1860 -109448.8023 299.9262 -161636.9882 -109079.2855 299.3585 14.4503 48.4254 759563.7255 25.0673 24.9675 PRESSURE: 4967600 282.33 128.287 -137.23 128.288 -14.7496 -198.141 -137.229 -198.141 249.877 GPRESSURE: 4967600 309.443 62.7555 -193.937 48.72 13.8252 -239.661 -17.6105 -74.3659 309.838 PRESSAVG: 4967600 28.3753 -59.795 -28.4706 -59.795 -32.7159 18.8545 -28.4706 18.8544 15.6863 GPRESSAVG: 4967600 29.2334 -58.4963 -28.3611 -61.8489 -32.4478 18.3304 -28.6894 18.3501 14.3558 TIMING: 4967600 CPU: 15792.5, 0.00321429/step Wall: 15792.5, 0.00321429/step, 0.0289286 hours remaining, 239.457031 MB of memory in use. ENERGY: 4967600 3988.7763 20764.8350 14419.0303 241.2774 -203318.3049 2619.1163 0.0000 0.0000 51831.9103 -109453.3593 297.8787 -161285.2695 -109091.2983 299.5995 172.4858 211.0353 760255.9047 3.7819 3.7138 PRESSURE: 4967800 -198.379 -82.5286 -108.521 -82.5298 -32.9067 222.571 -108.521 222.572 91.0756 GPRESSURE: 4967800 -110.815 48.1902 -71.3567 -42.215 8.96964 146.303 -194.528 105.112 53.9017 PRESSAVG: 4967800 25.804 -48.3589 -6.3069 -48.3589 -24.0839 30.224 -6.30695 30.224 5.35521 GPRESSAVG: 4967800 25.676 -48.401 -4.63553 -47.3874 -23.5677 28.6784 -8.7728 32.1456 4.72066 TIMING: 4967800 CPU: 15793.2, 0.00318686/step Wall: 15793.2, 0.00318686/step, 0.0285047 hours remaining, 239.457031 MB of memory in use. ENERGY: 4967800 3945.9866 20683.0622 14398.8083 247.0794 -203844.1376 2776.1517 0.0000 0.0000 52137.0991 -109655.9503 299.6326 -161793.0494 -109297.3079 299.1358 -46.7368 -15.9811 759110.6448 2.3584 2.2763 PRESSURE: 4968000 176.98 -91.8187 -8.01164 -91.8184 49.3399 -27.3427 -8.01131 -27.3421 -86.4998 GPRESSURE: 4968000 259.923 14.7351 -97.6094 -75.3003 -11.5163 2.2697 -17.9683 66.2203 -16.4503 PRESSAVG: 4968000 -69.2379 -67.5178 8.55056 -67.5178 11.4399 24.4657 8.55058 24.4656 -13.2294 GPRESSAVG: 4968000 -69.386 -65.2568 7.21991 -67.8657 11.1766 24.4215 8.8244 21.8372 -13.1535 TIMING: 4968000 CPU: 15793.8, 0.00320624/step Wall: 15793.8, 0.00320624/step, 0.0284999 hours remaining, 239.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4968000 3916.4020 20725.0818 14430.2811 253.3677 -203800.4582 2767.7469 0.0000 0.0000 51915.1399 -109792.4387 298.3570 -161707.5786 -109428.0495 298.5939 46.6067 77.3189 761678.6615 -23.6758 -23.7876 PRESSURE: 4968200 257.078 -177.245 169.11 -177.246 232.001 309.167 169.109 309.168 195.121 GPRESSURE: 4968200 336.945 -136.125 136.806 -148.017 336.716 250.128 195.005 317.961 112.523 PRESSAVG: 4968200 2.02212 -12.4103 29.6865 -12.4104 -37.2945 6.76871 29.6864 6.76883 -4.13457 GPRESSAVG: 4968200 2.19097 -15.1569 29.0252 -11.4583 -37.2659 8.35019 29.7102 5.96698 -4.36923 TIMING: 4968200 CPU: 15794.5, 0.00323146/step Wall: 15794.5, 0.00323146/step, 0.0285445 hours remaining, 239.457031 MB of memory in use. ENERGY: 4968200 3942.6572 20478.8531 14403.3222 251.5445 -203227.7871 2349.7739 0.0000 0.0000 51948.4725 -109853.1637 298.5486 -161801.6362 -109482.1886 298.4140 228.0665 262.0612 759471.8936 -13.1357 -13.1480 LDB: ============= START OF LOAD BALANCING ============== 15806.9 LDB: ============== END OF LOAD BALANCING =============== 15806.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15806.9 LDB: ============= START OF LOAD BALANCING ============== 15807.2 LDB: Largest compute 7071 load 0.034614 is 17.7% of average load 0.196065 LDB: Average compute 0.004409 is 2.2% of average load 0.196065 LDB: TIME 15807.2 LOAD: AVG 0.196065 MAX 0.216112 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.355 MB LDB: TIME 15807.2 LOAD: AVG 0.196065 MAX 0.216112 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: TIME 15807.2 LOAD: AVG 0.196065 MAX 0.216112 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.559 MB LDB: ============== END OF LOAD BALANCING =============== 15807.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15807.2 PRESSURE: 4968400 -39.326 22.4163 245.849 22.4157 -246.028 176.192 245.849 176.192 303.275 GPRESSURE: 4968400 -40.8236 54.3348 170.967 6.47463 -148.684 188.851 159.468 197.685 284.601 PRESSAVG: 4968400 -0.111731 -34.3701 -48.096 -34.37 21.4286 35.2578 -48.096 35.2578 0.203605 GPRESSAVG: 4968400 -0.315231 -32.4226 -48.5238 -35.0765 21.343 34.2012 -47.9563 38.0849 0.294879 TIMING: 4968400 CPU: 15795.1, 0.00331674/step Wall: 15795.1, 0.00331674/step, 0.0291136 hours remaining, 238.613281 MB of memory in use. ENERGY: 4968400 3950.7848 20538.9991 14388.4333 241.1336 -203260.0270 2383.8136 0.0000 0.0000 51984.8527 -109772.0098 298.7577 -161756.8625 -109413.6622 298.3074 5.9738 31.6978 760244.3536 7.1735 7.1075 PRESSURE: 4968600 77.3469 -136.227 -139.168 -136.227 39.4401 -99.6931 -139.168 -99.6925 149.664 GPRESSURE: 4968600 138.605 -241.582 -53.1352 -200.466 35.786 -84.2243 -126.549 -86.532 205.58 PRESSAVG: 4968600 38.1681 -81.3349 -1.33227 -81.3349 -7.16656 5.52088 -1.33231 5.5209 -1.70697 GPRESSAVG: 4968600 38.1107 -82.9353 -0.362002 -81.6671 -9.06294 5.64884 0.970953 6.13652 0.396362 TIMING: 4968600 CPU: 15795.8, 0.00322819/step Wall: 15795.8, 0.00322819/step, 0.028157 hours remaining, 238.613281 MB of memory in use. ENERGY: 4968600 4007.7298 20453.6924 14496.3680 239.2000 -203480.1057 2603.9320 0.0000 0.0000 52180.5685 -109498.6150 299.8824 -161679.1835 -109135.1208 298.7727 88.8171 126.6570 760426.1690 9.7649 9.8147 PRESSURE: 4968800 -33.1527 -134.33 51.8458 -134.331 -223.172 62.8043 51.8453 62.8048 -88.4348 GPRESSURE: 4968800 73.8267 -97.455 -41.3898 -71.5203 -121.222 81.8831 36.8159 139.046 -208.95 PRESSAVG: 4968800 17.6215 -31.3796 43.945 -31.3796 -42.5863 4.44781 43.9449 4.44775 -4.44616 GPRESSAVG: 4968800 18.1044 -30.9011 42.4584 -31.3144 -42.3404 4.83573 43.9283 1.62939 -4.75432 TIMING: 4968800 CPU: 15796.4, 0.00322271/step Wall: 15796.4, 0.00322271/step, 0.0279302 hours remaining, 238.613281 MB of memory in use. ENERGY: 4968800 4072.6854 20675.6451 14465.8315 235.5844 -203444.8471 2473.5051 0.0000 0.0000 52110.3271 -109411.2685 299.4788 -161521.5956 -109052.0750 299.4541 -114.9197 -85.4486 760475.2839 -9.8037 -9.6635 PRESSURE: 4969000 178.102 125.063 22.2274 125.063 79.6926 432.214 22.2281 432.214 169.387 GPRESSURE: 4969000 288.462 22.8645 101.29 232.1 141.561 378.299 92.9207 360.47 83.1951 PRESSAVG: 4969000 0.528064 -43.9727 19.5495 -43.9726 -10.3205 -3.67976 19.5494 -3.67979 2.52493 GPRESSAVG: 4969000 1.39842 -44.7084 19.7901 -43.1119 -10.1826 -5.6582 17.5141 -2.10132 2.09062 TIMING: 4969000 CPU: 15797.1, 0.00322145/step Wall: 15797.1, 0.00322145/step, 0.0277403 hours remaining, 238.613281 MB of memory in use. ENERGY: 4969000 4033.8785 20581.9072 14419.9321 249.3605 -203355.7656 2580.7569 0.0000 0.0000 52173.7770 -109316.1533 299.8434 -161489.9303 -108951.6655 299.6173 142.3939 171.0727 759536.9071 -2.4225 -2.2312 PRESSURE: 4969200 -30.2036 102.864 280.976 102.864 -319.587 38.8597 280.976 38.8588 -421.794 GPRESSURE: 4969200 -61.3374 128.035 245.103 92.78 -231.216 129.666 160.718 46.0743 -405.701 PRESSAVG: 4969200 -6.07202 -30.8691 60.1095 -30.8691 -15.1494 27.6288 60.1095 27.6287 -8.88215 GPRESSAVG: 4969200 -8.13369 -30.7387 60.2294 -31.2001 -13.116 27.917 60.8765 28.4476 -8.62626 TIMING: 4969200 CPU: 15797.7, 0.00321836/step Wall: 15797.7, 0.00321836/step, 0.0275349 hours remaining, 238.613281 MB of memory in use. ENERGY: 4969200 4067.1360 20719.1456 14390.1147 248.2972 -203741.4771 2733.6129 0.0000 0.0000 52106.7630 -109476.4075 299.4583 -161583.1705 -109113.3184 300.0150 -257.1950 -232.7516 760746.2686 -10.0345 -9.9587 PRESSURE: 4969400 -297.381 -1.27084 23.3526 -1.26967 -128.768 -3.17925 23.3525 -3.17924 -433.12 GPRESSURE: 4969400 -308.99 -0.0417418 -24.3406 17.0617 -72.1651 76.7999 -42.2285 -3.35392 -394.833 PRESSAVG: 4969400 44.1484 -55.4901 6.95565 -55.4901 -15.8242 33.794 6.95571 33.794 19.613 GPRESSAVG: 4969400 43.8397 -55.5251 6.76198 -53.5241 -16.0792 34.6493 4.94944 30.8271 20.0579 TIMING: 4969400 CPU: 15798.4, 0.00321742/step Wall: 15798.4, 0.00321742/step, 0.027348 hours remaining, 238.613281 MB of memory in use. ENERGY: 4969400 3993.1599 20737.1103 14416.1736 254.9729 -203272.8537 2409.6879 0.0000 0.0000 51964.4078 -109497.3415 298.6402 -161461.7492 -109132.5282 299.3876 -286.4229 -258.6628 761851.9699 15.9791 15.9395 PRESSURE: 4969600 161.931 -240.38 38.2726 -240.381 214.569 -151.545 38.2719 -151.545 419.987 GPRESSURE: 4969600 261.445 -140.17 67.796 -282.406 164.73 -124.456 -39.1738 -110.76 453.741 PRESSAVG: 4969600 -2.96273 -63.0551 -4.65193 -63.0552 -35.3841 58.621 -4.65198 58.6211 -29.6278 GPRESSAVG: 4969600 -2.07255 -61.674 -4.08928 -63.9077 -35.924 59.13 -5.59611 61.2381 -29.8967 TIMING: 4969600 CPU: 15799, 0.00321769/step Wall: 15799, 0.00321768/step, 0.0271716 hours remaining, 238.613281 MB of memory in use. ENERGY: 4969600 3980.9261 20765.2045 14378.8882 236.5363 -203767.1819 2864.4433 0.0000 0.0000 51957.3568 -109583.8267 298.5996 -161541.1835 -109230.5943 299.5188 265.4954 293.3053 762107.7876 -22.6582 -22.6311 PRESSURE: 4969800 -66.4973 -96.0437 -178.439 -96.044 -346.674 -114.576 -178.44 -114.576 -196.95 GPRESSURE: 4969800 -28.2496 -53.0627 -108.133 -88.8481 -344.221 -64.0904 -194.111 -17.0636 -127.576 PRESSAVG: 4969800 -15.6503 -67.8581 -7.28255 -67.8581 24.4838 1.60556 -7.28253 1.6055 -11.3218 GPRESSAVG: 4969800 -15.6676 -68.8415 -6.79153 -69.5716 24.1421 0.262023 -6.41253 1.97654 -10.1032 TIMING: 4969800 CPU: 15799.6, 0.00318637/step Wall: 15799.6, 0.00318637/step, 0.0267301 hours remaining, 238.613281 MB of memory in use. ENERGY: 4969800 4011.1973 20496.9640 14444.4790 253.9764 -203154.2173 2250.2867 0.0000 0.0000 52324.5402 -109372.7737 300.7099 -161697.3140 -109008.5629 299.5780 -203.3738 -166.6822 761527.9225 -0.8294 -0.5429 PRESSURE: 4970000 -19.3454 -122.067 46.3686 -122.067 -223.288 201.897 46.3683 201.897 -307.018 GPRESSURE: 4970000 95.087 -64.1705 82.4592 -65.5498 -190.385 198.611 72.9659 104.233 -363.701 PRESSAVG: 4970000 -6.75789 -45.2057 10.0366 -45.2057 -46.2735 41.7047 10.0365 41.7046 15.3445 GPRESSAVG: 4970000 -5.30615 -44.5855 9.33 -45.622 -45.8666 40.7124 12.7019 40.2608 13.2315 TIMING: 4970000 CPU: 15800.3, 0.00318602/step Wall: 15800.3, 0.00318602/step, 0.0265501 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4970000 4080.2141 20579.9113 14427.7485 252.3777 -203043.3388 2267.9073 0.0000 0.0000 51973.5503 -109461.6296 298.6927 -161435.1799 -109099.2917 299.7023 -183.2173 -152.9996 759229.7844 -12.5623 -12.6471 PRESSURE: 4970200 -87.0401 45.0547 -137.622 45.0542 -227.608 -7.20231 -137.621 -7.20151 -207.446 GPRESSURE: 4970200 -41.4113 -122.998 -68.4151 50.6395 -177.993 -30.8593 -163.613 9.92886 -211.691 PRESSAVG: 4970200 11.6481 -119.194 -1.78851 -119.194 37.6485 29.5352 -1.78851 29.5352 14.3367 GPRESSAVG: 4970200 10.8402 -119.656 -1.28698 -120.042 37.5061 30.5043 -4.60647 29.9485 15.745 TIMING: 4970200 CPU: 15800.9, 0.00321264/step Wall: 15800.9, 0.00321264/step, 0.0265935 hours remaining, 238.613281 MB of memory in use. ENERGY: 4970200 3978.7194 20550.5461 14409.4852 263.2047 -203150.3915 2431.1101 0.0000 0.0000 52087.0331 -109430.2930 299.3449 -161517.3261 -109068.4719 299.3295 -174.0312 -143.6983 760986.4549 21.2111 21.3638 PRESSURE: 4970400 -83.2419 68.7491 -39.8642 68.7492 461.65 -27.2254 -39.8644 -27.227 10.698 GPRESSURE: 4970400 -18.6525 53.9863 -30.6955 74.1518 430.858 -20.8761 -70.8974 104.991 53.2539 PRESSAVG: 4970400 3.32125 -27.2673 6.16005 -27.2672 -14.1087 22.5664 6.16003 22.5663 -1.48655 GPRESSAVG: 4970400 3.71384 -28.0221 6.42179 -26.7445 -13.9081 22.2093 6.62539 21.2337 -2.21145 TIMING: 4970400 CPU: 15801.6, 0.00321715/step Wall: 15801.6, 0.00321715/step, 0.0264521 hours remaining, 238.613281 MB of memory in use. ENERGY: 4970400 3974.2696 20655.8231 14440.4454 250.1099 -203505.3276 2609.9125 0.0000 0.0000 51903.3477 -109671.4194 298.2893 -161574.7671 -109309.5684 299.2163 129.7022 155.1532 759795.0749 -4.0913 -4.1352 PRESSURE: 4970600 53.6213 54.8133 36.0574 54.8134 131.981 -39.209 36.0575 -39.2096 -165.55 GPRESSURE: 4970600 -9.99152 -121.649 -53.2151 87.3656 234.931 4.89811 95.4212 -2.75269 -113.285 PRESSAVG: 4970600 2.53695 -55.7171 -7.7696 -55.717 -52.9843 27.4513 -7.76962 27.4513 1.5412 GPRESSAVG: 4970600 1.7179 -55.2561 -9.62026 -56.801 -51.7257 28.8881 -3.41378 30.2639 1.06707 TIMING: 4970600 CPU: 15802.2, 0.00320084/step Wall: 15802.2, 0.00320084/step, 0.0261402 hours remaining, 238.613281 MB of memory in use. ENERGY: 4970600 3977.3405 20565.0310 14413.5361 271.7460 -203333.6216 2335.4237 0.0000 0.0000 52086.8038 -109683.7405 299.3436 -161770.5443 -109328.7380 299.3429 6.6843 37.2183 758828.1558 -16.3020 -16.3136 PRESSURE: 4970800 242.347 -24.6424 -56.6328 -24.6426 -47.9214 70.3632 -56.6325 70.3634 -122.635 GPRESSURE: 4970800 187.881 -60.7694 6.48833 45.9481 82.4366 160.388 -177.918 -146.398 -96.4895 PRESSAVG: 4970800 6.4811 -71.1071 -20.5797 -71.107 16.2253 11.6041 -20.5797 11.6041 -3.39277 GPRESSAVG: 4970800 5.96 -71.6066 -18.8399 -69.3689 16.6967 10.9333 -24.5614 9.26874 -3.59086 TIMING: 4970800 CPU: 15802.8, 0.00319639/step Wall: 15802.8, 0.00319639/step, 0.0259263 hours remaining, 238.613281 MB of memory in use. ENERGY: 4970800 3938.3153 20563.8050 14396.1407 253.3260 -203345.5472 2449.4913 0.0000 0.0000 51926.0650 -109818.4040 298.4198 -161744.4690 -109459.8164 299.1181 23.9301 57.9426 759910.3095 6.4379 6.3553 PRESSURE: 4971000 -411.41 -2.38061 -325.961 -2.3807 -3.4681 -64.4241 -325.96 -64.4228 81.6662 GPRESSURE: 4971000 -286.251 29.168 -301.341 -54.0801 -42.8224 -27.6955 -317.184 -34.2247 82.487 PRESSAVG: 4971000 20.871 8.50872 -78.4972 8.50873 29.8481 4.00567 -78.4972 4.00565 22.0305 GPRESSAVG: 4971000 21.198 8.6257 -79.0811 8.09543 27.9586 5.66901 -77.7728 3.80838 23.1718 TIMING: 4971000 CPU: 15803.5, 0.00319094/step Wall: 15803.5, 0.00319094/step, 0.0257048 hours remaining, 238.613281 MB of memory in use. ENERGY: 4971000 3971.2451 20541.5480 14320.0152 231.7843 -203291.8555 2274.1662 0.0000 0.0000 52044.8075 -109908.2892 299.1022 -161953.0967 -109544.8643 298.3240 -111.0706 -82.1954 761124.4545 24.2499 24.1094 PRESSURE: 4971200 -100.719 208.272 236.51 208.272 -34.3672 151.645 236.51 151.645 30.3917 GPRESSURE: 4971200 -162.596 73.5431 285.842 24.0304 63.8373 150.7 111.185 67.1814 72.2134 PRESSAVG: 4971200 -51.7214 -8.295 -56.4208 -8.29497 69.0018 75.7922 -56.4208 75.7923 23.6127 GPRESSAVG: 4971200 -52.3895 -8.82459 -57.1737 -9.13842 68.853 73.9274 -56.7106 75.8835 23.8787 TIMING: 4971200 CPU: 15804.1, 0.00318681/step Wall: 15804.1, 0.00318681/step, 0.0254945 hours remaining, 238.613281 MB of memory in use. ENERGY: 4971200 3953.8727 20649.8233 14393.8448 250.8779 -203132.1505 2256.4112 0.0000 0.0000 51568.0181 -110059.3024 296.3621 -161627.3205 -109704.1215 298.4423 -34.8982 -8.8484 759720.4951 13.6310 13.4474 PRESSURE: 4971400 116.995 51.9889 -144.52 51.9886 -407.444 -49.5386 -144.52 -49.5392 106.034 GPRESSURE: 4971400 138.254 54.7541 -186.487 -32.1874 -341.756 -30.6498 -91.7305 -21.2829 107.502 PRESSAVG: 4971400 26.2011 -41.0511 -42.2253 -41.0511 -20.0115 58.2598 -42.2253 58.2598 -7.21813 GPRESSAVG: 4971400 27.0784 -43.0383 -41.7674 -40.3719 -20.2891 58.4895 -40.3082 58.9378 -7.88505 TIMING: 4971400 CPU: 15804.7, 0.00318595/step Wall: 15804.7, 0.00318595/step, 0.0253106 hours remaining, 238.613281 MB of memory in use. ENERGY: 4971400 3997.5498 20369.6606 14425.4141 254.0520 -203383.2722 2537.1095 0.0000 0.0000 51839.6181 -109959.8680 297.9230 -161799.4862 -109608.5278 298.2686 -61.4718 -32.0001 760091.5121 -0.3428 -0.3652 PRESSURE: 4971600 -241.467 42.5515 -53.1045 42.5513 -320.62 228.153 -53.1048 228.154 -352.994 GPRESSURE: 4971600 -217.84 65.5013 -57.7693 -17.4557 -304.703 228.808 32.6313 219.837 -296.334 PRESSAVG: 4971600 42.4327 -41.1006 -1.35766 -41.1006 -81.1434 58.6254 -1.35767 58.6255 21.1193 GPRESSAVG: 4971600 42.6682 -39.0587 -1.07825 -40.5383 -81.5709 58.221 -4.51115 57.9593 21.019 TIMING: 4971600 CPU: 15805.4, 0.00318868/step Wall: 15805.4, 0.00318868/step, 0.0251551 hours remaining, 238.613281 MB of memory in use. ENERGY: 4971600 4062.1857 20653.8617 14327.1194 238.6019 -203202.4997 2285.8470 0.0000 0.0000 51648.3153 -109986.5688 296.8236 -161634.8841 -109639.0122 298.0352 -305.0273 -272.9590 760981.8136 -5.8638 -5.9612 PRESSURE: 4971800 -63.8478 -18.6537 -149.49 -18.6533 8.98222 -152.124 -149.49 -152.123 -189.351 GPRESSURE: 4971800 68.3717 25.2453 -165.681 67.9486 -40.0267 -84.9658 -148.254 -51.5724 -187.449 PRESSAVG: 4971800 -10.8601 7.71558 -48.6968 7.71559 3.32399 7.90267 -48.6967 7.9027 11.5529 GPRESSAVG: 4971800 -11.8279 8.64901 -48.2716 9.80683 3.64143 7.3753 -46.9466 7.86705 11.7697 TIMING: 4971800 CPU: 15806, 0.0031971/step Wall: 15806, 0.0031971/step, 0.0250439 hours remaining, 238.613281 MB of memory in use. ENERGY: 4971800 3967.3194 20435.4465 14394.6278 224.1997 -203155.9148 2361.3539 0.0000 0.0000 51959.8542 -109813.1134 298.6140 -161772.9675 -109455.9080 298.7519 -81.4056 -53.0346 759417.3222 1.3389 1.1944 PRESSURE: 4972000 -331.95 -13.4107 146.868 -13.4109 -34.9724 180.31 146.868 180.308 -171.725 GPRESSURE: 4972000 -283.59 41.9014 147.664 -57.0018 35.3601 224.161 -12.5966 236.708 -188.262 PRESSAVG: 4972000 -34.1537 -58.531 -64.6488 -58.531 6.86149 62.1692 -64.6489 62.1692 -19.7166 GPRESSAVG: 4972000 -32.961 -59.1738 -63.5127 -60.1157 7.38585 63.3329 -67.7414 62.4737 -21.7792 TIMING: 4972000 CPU: 15806.7, 0.00317638/step Wall: 15806.7, 0.00317638/step, 0.0247052 hours remaining, 238.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4972000 4005.8905 20609.6432 14349.4720 252.1183 -203139.6358 2313.8170 0.0000 0.0000 51906.3616 -109702.3331 298.3066 -161608.6948 -109339.9840 298.7627 -179.5494 -145.4972 760305.0213 -15.6696 -15.7848 PRESSURE: 4972200 -304.393 -53.2951 37.0075 -53.2949 -276.443 159.942 37.0065 159.943 -131.512 GPRESSURE: 4972200 -274.586 -14.4278 22.7281 -42.7518 -229.761 147.316 -135.735 160.709 -119.858 PRESSAVG: 4972200 36.9252 -72.4875 17.1009 -72.4875 -31.3291 18.4847 17.1008 18.4846 8.33276 GPRESSAVG: 4972200 36.4983 -71.3618 17.3595 -74.5533 -31.6379 19.3819 16.2456 18.6602 9.53855 TIMING: 4972200 CPU: 15807.3, 0.00321176/step Wall: 15807.3, 0.00321176/step, 0.0248019 hours remaining, 238.613281 MB of memory in use. ENERGY: 4972200 4036.2508 20517.1662 14385.7673 257.1651 -203366.8673 2278.8409 0.0000 0.0000 52348.0475 -109543.6296 300.8449 -161891.6771 -109178.3609 299.0066 -237.4494 -208.0684 759301.5758 4.6429 4.7996 LDB: ============= START OF LOAD BALANCING ============== 15819.7 LDB: ============== END OF LOAD BALANCING =============== 15819.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15819.7 LDB: ============= START OF LOAD BALANCING ============== 15820 LDB: Largest compute 7034 load 0.034412 is 17.6% of average load 0.196013 LDB: Average compute 0.004426 is 2.3% of average load 0.196013 LDB: TIME 15820 LOAD: AVG 0.196013 MAX 0.216616 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 15820 LOAD: AVG 0.196013 MAX 0.216616 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 15820 LOAD: AVG 0.196013 MAX 0.216616 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 15820 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15820 PRESSURE: 4972400 44.5226 84.6966 34.8732 84.6967 -75.2404 83.1993 34.8733 83.1998 114.188 GPRESSURE: 4972400 66.1065 -72.1861 -42.388 143.042 -11.1421 93.6241 99.9823 90.0038 116.035 PRESSAVG: 4972400 -4.38937 -57.0451 16.1811 -57.045 -22.8514 18.989 16.1811 18.989 3.3305 GPRESSAVG: 4972400 -4.28973 -61.2007 13.0776 -53.6959 -22.6315 20.0524 20.1641 17.2355 2.96592 TIMING: 4972400 CPU: 15808, 0.00328998/step Wall: 15808, 0.00328998/step, 0.0252231 hours remaining, 238.152344 MB of memory in use. ENERGY: 4972400 4051.8103 20635.7528 14410.3725 244.5134 -203684.2849 2589.6182 0.0000 0.0000 52122.6997 -109629.5181 299.5499 -161752.2178 -109268.2611 299.4909 27.8235 56.9999 760606.7678 -7.9701 -7.9851 PRESSURE: 4972600 -299.502 143.003 161.57 143.002 -55.9164 -118.557 161.57 -118.558 110.283 GPRESSURE: 4972600 -243.313 171.403 161.493 214.648 -23.6402 -253.954 221.307 -108.541 118.756 PRESSAVG: 4972600 9.21753 8.50334 -9.83038 8.50336 -32.7551 22.7316 -9.83046 22.7316 2.65173 GPRESSAVG: 4972600 9.92003 10.7077 -8.7149 8.26288 -34.4152 20.1614 -9.4162 22.874 3.12211 TIMING: 4972600 CPU: 15808.6, 0.00320154/step Wall: 15808.6, 0.00320154/step, 0.0243673 hours remaining, 238.152344 MB of memory in use. ENERGY: 4972600 3993.8377 20624.6603 14388.3980 242.5298 -202901.3367 2210.9934 0.0000 0.0000 51966.2626 -109474.6548 298.6508 -161440.9174 -109118.5257 299.5613 -81.7120 -49.3990 762131.0152 -6.9619 -7.1243 PRESSURE: 4972800 6.60787 -218.791 14.8408 -218.791 -54.9809 236.425 14.8409 236.425 -188.35 GPRESSURE: 4972800 -8.41622 -224.789 8.99468 -139.939 -37.8795 258.936 28.9662 174.14 -109.475 PRESSAVG: 4972800 17.7923 -1.796 17.2448 -1.796 -11.8789 17.7081 17.2449 17.708 -0.289132 GPRESSAVG: 4972800 17.3413 0.0031195 18.0128 -4.2705 -11.3419 17.6844 15.2262 18.6326 0.0428075 TIMING: 4972800 CPU: 15809.2, 0.00319249/step Wall: 15809.2, 0.00319249/step, 0.024121 hours remaining, 238.152344 MB of memory in use. ENERGY: 4972800 3999.2313 20590.2245 14499.2331 252.5622 -203621.4897 2578.0816 0.0000 0.0000 52229.7582 -109472.3988 300.1651 -161702.1570 -109102.5190 299.9071 -78.9076 -51.9236 760478.1724 1.8748 2.0141 PRESSURE: 4973000 111.914 28.0909 -44.0602 28.0912 343.932 120.218 -44.0612 120.219 195.505 GPRESSURE: 4973000 192.932 9.16584 13.1252 -48.3108 443.03 241.462 -49.5133 -36.6033 106.153 PRESSAVG: 4973000 35.8958 -30.091 -3.21189 -30.091 -59.1349 21.9287 -3.2119 21.9287 -13.2906 GPRESSAVG: 4973000 35.9628 -32.0612 -3.91759 -30.0146 -58.1794 22.5514 -2.19388 21.3427 -14.1346 TIMING: 4973000 CPU: 15809.9, 0.00320966/step Wall: 15809.9, 0.00320966/step, 0.0240725 hours remaining, 238.152344 MB of memory in use. ENERGY: 4973000 4016.3130 20637.1932 14440.3478 257.3969 -203618.2602 2682.6923 0.0000 0.0000 52019.3473 -109564.9697 298.9559 -161584.3170 -109207.3315 299.6576 217.1174 247.3715 760125.8832 -12.1766 -12.1171 PRESSURE: 4973200 242.265 -353.997 -6.174 -353.997 59.0634 -59.8583 -6.17345 -59.8578 451.747 GPRESSURE: 4973200 277.393 -304.903 -26.0966 -234.896 120.112 -131.957 -45.0385 35.8906 439.932 PRESSAVG: 4973200 20.6581 -45.2304 46.549 -45.2304 -33.2168 17.4683 46.549 17.4683 9.30659 GPRESSAVG: 4973200 19.602 -43.4438 47.0916 -44.4235 -33.5557 15.8496 44.3555 17.5517 11.0023 TIMING: 4973200 CPU: 15810.5, 0.00320078/step Wall: 15810.5, 0.00320078/step, 0.023828 hours remaining, 238.152344 MB of memory in use. ENERGY: 4973200 3963.9178 20526.7992 14458.3672 243.6068 -203570.1000 2741.5130 0.0000 0.0000 52029.7347 -109606.1612 299.0156 -161635.8959 -109250.7854 299.1168 251.0250 279.1459 760371.3391 -1.0841 -0.9838 PRESSURE: 4973400 -73.225 -37.0906 -94.3528 -37.0895 85.1177 289.461 -94.3531 289.461 365.015 GPRESSURE: 4973400 31.1114 9.81971 -84.2667 -59.8343 92.8793 274.13 -45.0211 330.918 317.649 PRESSAVG: 4973400 48.6619 -22.1535 11.9231 -22.1536 -30.9228 0.788889 11.9231 0.788954 16.2766 GPRESSAVG: 4973400 49.6845 -22.5643 11.0772 -20.638 -31.267 1.10842 14.0565 1.90528 15.1319 TIMING: 4973400 CPU: 15811.2, 0.00319835/step Wall: 15811.2, 0.00319835/step, 0.0236323 hours remaining, 238.152344 MB of memory in use. ENERGY: 4973400 3968.2390 20551.6593 14411.2673 254.8160 -203581.1028 2609.3472 0.0000 0.0000 51947.6313 -109838.1427 298.5438 -161785.7740 -109466.6260 299.1754 125.6359 147.2132 760772.7572 11.3386 11.1831 PRESSURE: 4973600 365.973 -56.0479 -198.758 -56.0486 -213.867 167.757 -198.759 167.757 -43.3962 GPRESSURE: 4973600 436.046 -19.377 -194.875 -98.0233 -125.249 285.665 -109.68 137.243 -120.483 PRESSAVG: 4973600 71.0864 -34.0849 -43.0495 -34.085 -51.2515 102.787 -43.0494 102.787 -12.5251 GPRESSAVG: 4973600 71.1477 -35.1188 -41.7657 -35.5159 -51.6005 105.334 -43.743 101.463 -12.7454 TIMING: 4973600 CPU: 15811.8, 0.00321139/step Wall: 15811.8, 0.00321139/step, 0.0235502 hours remaining, 238.152344 MB of memory in use. ENERGY: 4973600 3991.2610 20599.0465 14400.1643 254.6821 -203343.6689 2609.7758 0.0000 0.0000 51717.8521 -109770.8871 297.2232 -161488.7392 -109416.2112 298.2555 36.2365 63.4382 759531.0330 2.4366 2.2673 PRESSURE: 4973800 -161.38 -232.3 59.9442 -232.299 -46.4381 -228.7 59.9443 -228.7 -155.807 GPRESSURE: 4973800 -161.653 -186.869 13.7714 -161.617 -1.5053 -154.333 125.67 -240.632 -114.236 PRESSAVG: 4973800 36.3007 -58.2951 -48.324 -58.2951 -11.8881 6.9033 -48.324 6.90333 -14.5355 GPRESSAVG: 4973800 36.0593 -56.8879 -49.6447 -57.487 -10.8949 5.94298 -47.6401 5.98215 -14.6818 TIMING: 4973800 CPU: 15812.4, 0.00322677/step Wall: 15812.4, 0.00322677/step, 0.0234837 hours remaining, 238.152344 MB of memory in use. ENERGY: 4973800 3966.4414 20385.9707 14454.8013 240.7802 -203592.4025 2548.7266 0.0000 0.0000 52263.6927 -109731.9896 300.3602 -161995.6823 -109359.8781 298.9087 -121.2085 -92.4647 760055.0613 3.2924 3.4942 PRESSURE: 4974000 -179.96 86.2039 -390.33 86.2034 -169.732 17.2492 -390.33 17.2481 101.824 GPRESSURE: 4974000 -163.654 123.306 -361.19 -104.504 -115.946 49.2431 -420.188 87.635 121.698 PRESSAVG: 4974000 10.3626 -4.48619 -51.1758 -4.48616 -20.9366 39.8683 -51.1759 39.8682 -1.98444 GPRESSAVG: 4974000 9.36166 -4.36997 -51.5052 -4.81114 -20.0866 39.9084 -52.2331 41.7371 -1.6842 TIMING: 4974000 CPU: 15813.1, 0.00320357/step Wall: 15813.1, 0.00320357/step, 0.0231369 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4974000 4049.6431 20607.9202 14446.4880 230.3097 -204001.0152 2774.5816 0.0000 0.0000 52013.6207 -109878.4518 298.9230 -161892.0725 -109531.4817 299.2270 -82.6225 -52.6342 759550.2909 -4.1862 -4.1364 PRESSURE: 4974200 -373.007 3.00247 -323.264 3.00298 174.973 82.5869 -323.264 82.5868 -89.1249 GPRESSURE: 4974200 -252.584 -28.3594 -313.214 -12.9053 139.342 22.4106 -191.277 98.5268 -85.5136 PRESSAVG: 4974200 -54.6567 -24.6768 -54.0002 -24.6768 42.409 21.0506 -54.0001 21.0505 -14.9079 GPRESSAVG: 4974200 -52.9006 -28.0117 -52.086 -22.7768 41.0035 22.0147 -53.9318 19.9557 -14.7945 TIMING: 4974200 CPU: 15813.7, 0.00318896/step Wall: 15813.7, 0.00318896/step, 0.0228542 hours remaining, 238.152344 MB of memory in use. ENERGY: 4974200 3977.2403 20513.4943 14441.1130 218.7414 -203813.2809 2638.8588 0.0000 0.0000 51985.8741 -110037.9589 298.7635 -162023.8330 -109671.7271 298.7879 -95.7197 -66.2517 759930.6636 -9.0519 -8.8972 PRESSURE: 4974400 -166.132 -30.45 -62.5433 -30.45 97.9544 -26.7474 -62.5441 -26.7475 -90.6239 GPRESSURE: 4974400 -194.104 -73.3485 -54.2154 -8.23303 186.87 16.0782 -61.1929 -15.703 -57.1347 PRESSAVG: 4974400 -2.68277 -17.8092 14.273 -17.8092 -4.09344 29.1109 14.273 29.1109 10.377 GPRESSAVG: 4974400 -5.06557 -15.9663 12.9822 -18.7865 -2.40611 27.8418 14.254 29.1937 10.8336 TIMING: 4974400 CPU: 15814.4, 0.00320223/step Wall: 15814.4, 0.00320223/step, 0.0227714 hours remaining, 238.152344 MB of memory in use. ENERGY: 4974400 4023.7490 20330.1702 14470.6333 272.1770 -203403.8467 2275.9696 0.0000 0.0000 51887.8945 -110143.2530 298.2004 -162031.1476 -109781.8043 298.3547 -52.9340 -21.4563 762608.4318 1.2003 1.1206 PRESSURE: 4974600 226.336 38.9325 102.993 38.9335 -126.296 28.6925 102.993 28.6924 349.292 GPRESSURE: 4974600 225.202 46.7632 163.376 -9.88294 -89.4142 88.2429 19.8064 126.154 388.896 PRESSAVG: 4974600 -6.38044 -68.7514 34.6658 -68.7515 5.55892 38.9088 34.6659 38.9089 -8.10141 GPRESSAVG: 4974600 -6.48908 -67.9957 36.5867 -72.4924 6.15581 38.969 35.5881 40.2834 -8.688 TIMING: 4974600 CPU: 15815, 0.00318121/step Wall: 15815, 0.00318121/step, 0.0224452 hours remaining, 238.152344 MB of memory in use. ENERGY: 4974600 3960.6329 20393.6105 14385.8045 237.0141 -203434.5056 2426.5796 0.0000 0.0000 51860.0600 -110170.8040 298.0405 -162030.8640 -109817.4643 298.0418 149.7772 174.8945 760741.7246 -2.9743 -3.0071 PRESSURE: 4974800 24.5823 -100.423 -152.047 -100.422 304.115 172.936 -152.047 172.937 -89.3026 GPRESSURE: 4974800 -13.3593 -82.0875 -101.221 -85.0922 388.806 167.547 -28.9105 57.1363 -43.9861 PRESSAVG: 4974800 -11.5783 -21.98 45.972 -21.9799 0.232059 21.7546 45.9719 21.7545 0.141556 GPRESSAVG: 4974800 -11.2919 -22.0328 44.136 -21.7176 -0.527926 21.214 44.5539 20.7038 0.571103 TIMING: 4974800 CPU: 15815.6, 0.00318103/step Wall: 15815.6, 0.00318103/step, 0.0222672 hours remaining, 238.152344 MB of memory in use. ENERGY: 4974800 4039.8796 20361.8847 14375.7248 263.8650 -203611.7296 2467.1689 0.0000 0.0000 51923.6229 -110179.5836 298.4058 -162103.2065 -109815.0332 297.9511 79.7981 110.4870 758946.9985 -3.7349 -3.7496 PRESSURE: 4975000 -153.211 -76.7002 -39.1632 -76.7005 -126.733 240.31 -39.1629 240.311 -21.5088 GPRESSURE: 4975000 -80.5884 -149.406 -48.5683 -35.6016 -150.171 173.723 152.342 124.402 12.9517 PRESSAVG: 4975000 -10.0321 -27.7027 56.777 -27.7027 30.0587 -2.18093 56.777 -2.18094 2.82227 GPRESSAVG: 4975000 -9.7481 -28.8251 58.0485 -25.0507 30.1133 -0.121708 58.875 -3.53753 2.18193 TIMING: 4975000 CPU: 15816.3, 0.0032027/step Wall: 15816.3, 0.0032027/step, 0.022241 hours remaining, 238.152344 MB of memory in use. ENERGY: 4975000 3995.7599 20568.2317 14386.9875 254.7108 -203414.9206 2397.4847 0.0000 0.0000 51804.1231 -110007.6230 297.7190 -161811.7460 -109646.0491 298.0004 -100.4843 -72.6026 759706.8081 7.6163 7.5157 PRESSURE: 4975200 -172.404 -1.85519 -11.5511 -1.85577 -14.6189 -129.461 -11.5512 -129.461 -89.6081 GPRESSURE: 4975200 -136.707 -21.2295 -23.1025 -11.2957 -19.0923 -122.189 76.2961 -111.659 -17.4547 PRESSAVG: 4975200 -6.02774 -61.9835 32.4058 -61.9834 35.2686 27.8794 32.4058 27.8794 14.3394 GPRESSAVG: 4975200 -7.2176 -59.0986 31.2901 -63.1875 34.7457 27.8926 30.2879 27.2877 15.5014 TIMING: 4975200 CPU: 15816.9, 0.00321057/step Wall: 15816.9, 0.00321057/step, 0.0221172 hours remaining, 238.152344 MB of memory in use. ENERGY: 4975200 3979.6001 20534.4105 14365.5086 251.6038 -203622.9587 2614.9414 0.0000 0.0000 52050.8346 -109826.0598 299.1369 -161876.8944 -109464.6461 298.5633 -92.2105 -57.7515 758081.0602 14.5267 14.3432 PRESSURE: 4975400 -269.149 281.99 97.7063 281.99 -391.887 98.2348 97.706 98.235 -86.8417 GPRESSURE: 4975400 -280.424 239.383 80.0407 154.78 -274.82 32.4856 23.7288 67.772 -106.547 PRESSAVG: 4975400 -30.4631 -16.8869 36.3854 -16.8869 -20.6721 3.14287 36.3854 3.14281 8.7136 GPRESSAVG: 4975400 -29.5279 -18.092 36.8217 -16.4154 -20.3567 2.08741 39.8372 4.01369 7.15496 TIMING: 4975400 CPU: 15817.6, 0.0032279/step Wall: 15817.6, 0.0032279/step, 0.0220573 hours remaining, 238.152344 MB of memory in use. ENERGY: 4975400 3978.3961 20607.2500 14453.3219 243.9104 -203262.4117 2299.2584 0.0000 0.0000 51983.9632 -109696.3118 298.7526 -161680.2750 -109321.0907 298.7686 -249.2925 -220.5973 760421.0328 -14.1405 -14.2432 PRESSURE: 4975600 1.5388 -13.4242 -197.865 -13.4234 -224.411 -95.2137 -197.865 -95.2132 32.5143 GPRESSURE: 4975600 -25.7637 19.2077 -234.741 9.0952 -205.761 -72.081 -210.49 -6.93203 111.396 PRESSAVG: 4975600 20.9557 -18.503 10.8835 -18.5031 -40.094 -23.4054 10.8834 -23.4054 28.188 GPRESSAVG: 4975600 18.8944 -19.5171 11.2607 -17.852 -39.8645 -23.4834 7.15902 -23.1799 29.8298 TIMING: 4975600 CPU: 15818.2, 0.00323607/step Wall: 15818.2, 0.00323607/step, 0.0219334 hours remaining, 238.152344 MB of memory in use. ENERGY: 4975600 4055.5057 20610.7045 14430.6155 232.4151 -203252.8385 2252.5182 0.0000 0.0000 52045.4725 -109625.6069 299.1060 -161671.0795 -109266.5377 298.8170 -63.4526 -40.0427 760516.8489 3.0166 2.9532 PRESSURE: 4975800 153.855 2.18478 -10.8575 2.18515 -371.247 115.92 -10.8555 115.92 -140.15 GPRESSURE: 4975800 131.791 -57.3896 -35.4793 -51.6788 -334.085 134.471 64.5924 1.88207 -50.1834 PRESSAVG: 4975800 52.4643 -57.4582 -26.2189 -57.4581 -66.0921 -25.0246 -26.2188 -25.0246 -9.93832 GPRESSAVG: 4975800 55.4383 -55.1238 -27.4291 -59.0568 -68.079 -25.9283 -23.1362 -23.9693 -10.8267 TIMING: 4975800 CPU: 15818.9, 0.00320976/step Wall: 15818.9, 0.00320976/step, 0.0215767 hours remaining, 238.152344 MB of memory in use. ENERGY: 4975800 4067.4366 20534.2432 14364.0677 256.8247 -203796.8613 2682.4041 0.0000 0.0000 52329.7130 -109562.1719 300.7396 -161891.8849 -109204.4421 299.5880 -119.1807 -84.1594 760218.2768 -7.8554 -7.8224 PRESSURE: 4976000 -269.062 -63.251 -38.3334 -63.2516 -299.922 -59.5698 -38.333 -59.5699 -124.695 GPRESSURE: 4976000 -271.185 -108.127 -57.0239 -152.306 -298.014 -69.4722 52.142 -105.536 -38.7318 PRESSAVG: 4976000 9.07786 -42.651 -22.1312 -42.6511 -2.62884 -15.2489 -22.1312 -15.2489 7.00195 GPRESSAVG: 4976000 8.07065 -43.5596 -20.6929 -42.5362 -0.85804 -14.2546 -25.0863 -15.2608 5.99889 TIMING: 4976000 CPU: 15819.5, 0.00323158/step Wall: 15819.5, 0.00323158/step, 0.0215439 hours remaining, 238.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4976000 4038.2966 20623.1632 14365.8339 243.4915 -203105.9900 2189.1728 0.0000 0.0000 51976.0717 -109669.9603 298.7072 -161646.0320 -109308.8809 299.2868 -231.2263 -202.6437 761448.6276 4.4837 4.4038 PRESSURE: 4976200 -3.8859 -134.427 365.729 -134.428 44.2861 195.141 365.73 195.141 -412.758 GPRESSURE: 4976200 -53.1306 -112.994 256.087 -106.039 98.4624 158.764 414.472 224.983 -349.6 PRESSAVG: 4976200 20.5216 -35.3599 -30.5825 -35.3599 -7.79226 -9.10592 -30.5826 -9.10594 -0.200579 GPRESSAVG: 4976200 20.4948 -35.1441 -31.2742 -35.8103 -9.07361 -8.54374 -30.69 -11.2955 0.992265 TIMING: 4976200 CPU: 15820.1, 0.00316103/step Wall: 15820.1, 0.00316103/step, 0.0208979 hours remaining, 238.152344 MB of memory in use. ENERGY: 4976200 4028.9188 20645.8165 14427.0975 242.3015 -203357.7662 2425.6250 0.0000 0.0000 51909.0314 -109678.9754 298.3219 -161588.0068 -109316.8888 299.0712 -124.1192 -101.4229 762225.9750 4.1762 4.1378 LDB: ============= START OF LOAD BALANCING ============== 15832.5 LDB: ============== END OF LOAD BALANCING =============== 15832.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15832.5 LDB: ============= START OF LOAD BALANCING ============== 15832.9 LDB: Largest compute 7033 load 0.034663 is 17.7% of average load 0.196069 LDB: Average compute 0.004392 is 2.2% of average load 0.196069 LDB: TIME 15832.9 LOAD: AVG 0.196069 MAX 0.215965 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.898 MB LDB: TIME 15832.9 LOAD: AVG 0.196069 MAX 0.215965 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 15832.9 LOAD: AVG 0.196069 MAX 0.215965 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: ============== END OF LOAD BALANCING =============== 15832.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15832.9 PRESSURE: 4976400 -498.199 24.0025 -126.536 24.0021 -160.09 -23.0359 -126.535 -23.0355 -241.64 GPRESSURE: 4976400 -425.905 17.7032 -115.625 81.3152 -47.7241 -11.8023 -86.4564 -96.0161 -335.319 PRESSAVG: 4976400 17.4556 -44.4389 3.43864 -44.4389 -2.75805 -41.7905 3.43867 -41.7905 6.78108 GPRESSAVG: 4976400 17.3527 -43.7272 3.74547 -46.2203 -1.7917 -41.6231 4.16613 -41.2337 5.73482 TIMING: 4976400 CPU: 15820.8, 0.00322603/step Wall: 15820.8, 0.00322603/step, 0.0211484 hours remaining, 237.695312 MB of memory in use. ENERGY: 4976400 4096.5176 20634.3856 14387.5760 238.1311 -203634.8474 2678.2941 0.0000 0.0000 51855.7559 -109744.1872 298.0157 -161599.9431 -109385.0194 299.1829 -299.9764 -269.6494 761694.2907 7.1596 7.0986 PRESSURE: 4976600 -52.1199 -250.298 24.6587 -250.299 -137.506 -214.077 24.6582 -214.077 -676.5 GPRESSURE: 4976600 -138.971 -185.202 -63.2482 -236.87 -68.4696 -232.446 -95.7677 -102.126 -569.989 PRESSAVG: 4976600 15.6132 -97.8488 -77.6694 -97.8487 -19.2996 -24.4085 -77.6693 -24.4084 -3.33863 GPRESSAVG: 4976600 15.144 -97.6782 -77.7967 -94.6739 -18.46 -25.6845 -77.4611 -22.9812 -3.24845 TIMING: 4976600 CPU: 15821.4, 0.00317237/step Wall: 15821.4, 0.00317237/step, 0.0206204 hours remaining, 237.695312 MB of memory in use. ENERGY: 4976600 4014.1257 20417.8584 14386.0644 232.8889 -203284.3571 2352.3041 0.0000 0.0000 52111.1129 -109770.0028 299.4833 -161881.1157 -109411.7522 298.7741 -288.7087 -259.1434 761786.3328 -2.3417 -2.1882 PRESSURE: 4976800 52.6414 -265.806 128.525 -265.806 277.784 -151.466 128.525 -151.466 -53.4877 GPRESSURE: 4976800 85.9066 -334.994 45.5881 -232.83 253.555 -183.277 11.622 -82.1841 25.407 PRESSAVG: 4976800 8.10693 -57.8601 -26.8281 -57.8601 -46.1117 -29.1094 -26.8281 -29.1094 -8.93726 GPRESSAVG: 4976800 9.12169 -59.4069 -26.8707 -59.2176 -46.9967 -27.1005 -26.1839 -30.4398 -8.64808 TIMING: 4976800 CPU: 15822.1, 0.00319745/step Wall: 15822.1, 0.00319745/step, 0.0206058 hours remaining, 237.695312 MB of memory in use. ENERGY: 4976800 3955.6820 20574.3677 14425.8103 257.5419 -203325.5820 2402.8485 0.0000 0.0000 51885.3705 -109823.9611 298.1859 -161709.3316 -109462.8160 299.2179 92.3126 121.6230 759949.8084 -15.6473 -15.5077 PRESSURE: 4977000 -10.2935 -118.239 -164.872 -118.24 206.274 -49.9419 -164.873 -49.9404 -11.1291 GPRESSURE: 4977000 39.7616 -125.871 -188.881 -68.8151 231.69 -19.1294 -0.972409 -85.8068 -27.6141 PRESSAVG: 4977000 -22.4522 -9.29483 -15.348 -9.29479 31.6425 5.60965 -15.3479 5.60965 -12.6639 GPRESSAVG: 4977000 -22.5237 -8.85718 -16.5407 -10.7343 31.4951 3.02546 -14.5542 8.02978 -12.315 TIMING: 4977000 CPU: 15822.7, 0.00323648/step Wall: 15822.7, 0.00323648/step, 0.0206775 hours remaining, 237.695312 MB of memory in use. ENERGY: 4977000 4023.6625 20311.2884 14430.6068 227.4722 -203582.0139 2661.1983 0.0000 0.0000 52152.1057 -109775.6800 299.7189 -161927.7856 -109411.4362 298.7901 61.6171 81.2791 759354.4665 -1.1579 -1.1145 PRESSURE: 4977200 96.7078 -21.7045 124.472 -21.7051 307.528 141.21 124.472 141.209 84.2554 GPRESSURE: 4977200 169.893 -52.7097 107.699 63.5594 349.596 188.336 -49.411 142.754 49.5815 PRESSAVG: 4977200 -15.1958 4.11101 15.2289 4.11107 43.9748 -39.4345 15.2288 -39.4345 13.6306 GPRESSAVG: 4977200 -15.0636 5.63127 16.419 7.10228 43.8 -38.5725 15.5507 -42.1433 13.3219 TIMING: 4977200 CPU: 15823.3, 0.00322359/step Wall: 15823.3, 0.00322359/step, 0.0204161 hours remaining, 237.695312 MB of memory in use. ENERGY: 4977200 3915.1217 20449.4548 14468.2757 254.2347 -203322.3563 2363.3834 0.0000 0.0000 52198.0477 -109673.8383 299.9829 -161871.8860 -109312.9782 299.3246 162.8305 189.6899 758252.4894 14.1365 14.0194 PRESSURE: 4977400 -186.127 233.371 3.37381 233.372 -206.18 -29.4161 3.37385 -29.4152 344.65 GPRESSURE: 4977400 -75.0798 182.398 9.3135 216.758 -225.8 -89.6039 -67.0611 57.4183 333.372 PRESSAVG: 4977400 -61.5819 32.0873 1.30308 32.0872 11.2581 -33.9024 1.30309 -33.9023 -7.38224 GPRESSAVG: 4977400 -61.5931 31.3423 0.718619 32.2208 11.4303 -34.4109 -1.5389 -32.1199 -6.97875 TIMING: 4977400 CPU: 15824, 0.00319268/step Wall: 15824, 0.00319268/step, 0.0200429 hours remaining, 237.695312 MB of memory in use. ENERGY: 4977400 4015.5906 20435.4570 14411.9698 252.7187 -203296.1640 2349.2253 0.0000 0.0000 52156.0946 -109675.1080 299.7418 -161831.2026 -109317.4880 299.2655 -15.8857 10.8305 759381.2032 -19.2353 -19.0472 PRESSURE: 4977600 -304.922 120.446 -149.924 120.445 52.941 -47.2266 -149.924 -47.2267 75.1711 GPRESSURE: 4977600 -232.79 28.1358 -91.1061 86.2826 63.5409 -28.5033 -183.789 -6.61049 51.7389 PRESSAVG: 4977600 7.16161 3.71284 12.7277 3.71285 -1.17939 -7.48108 12.7277 -7.4811 -1.53995 GPRESSAVG: 4977600 6.75189 3.10588 11.4284 1.64768 -0.971444 -6.93297 13.8659 -8.70719 -1.49753 TIMING: 4977600 CPU: 15824.6, 0.00316282/step Wall: 15824.6, 0.00316282/step, 0.0196798 hours remaining, 237.695312 MB of memory in use. ENERGY: 4977600 3940.9959 20585.8564 14383.2433 242.5105 -203437.7946 2587.7235 0.0000 0.0000 51982.8731 -109714.5919 298.7463 -161697.4650 -109366.7761 299.2647 -58.9368 -39.1702 759777.9956 1.4808 1.4276 PRESSURE: 4977800 -23.0047 -47.2306 -93.5399 -47.2305 -393.173 53.1227 -93.5402 53.1224 48.9531 GPRESSURE: 4977800 36.3449 -11.3547 -127.341 -144.426 -362.296 -18.2483 -24.2779 106.247 45.4195 PRESSAVG: 4977800 19.1936 -41.49 -14.7175 -41.49 -6.31701 29.594 -14.7175 29.5939 -2.98614 GPRESSAVG: 4977800 20.9818 -40.6218 -13.6651 -41.1301 -8.01421 29.2313 -14.6873 30.8753 -2.84859 TIMING: 4977800 CPU: 15825.3, 0.00322657/step Wall: 15825.3, 0.00322657/step, 0.0198972 hours remaining, 237.695312 MB of memory in use. ENERGY: 4977800 3989.4328 20444.6845 14399.6445 254.3646 -203319.7231 2249.5819 0.0000 0.0000 52154.9957 -109827.0191 299.7355 -161982.0148 -109458.9049 299.3404 -122.4083 -93.5104 760513.6779 3.2968 3.3730 PRESSURE: 4978000 164.158 -2.10574 134.161 -2.10451 332.064 -129.146 134.162 -129.146 167.584 GPRESSURE: 4978000 259.931 19.3621 83.2816 31.295 412.82 -125.35 78.3877 22.9216 76.1272 PRESSAVG: 4978000 38.9497 -19.0592 -12.8287 -19.0592 -10.6365 19.907 -12.8287 19.907 -17.2416 GPRESSAVG: 4978000 37.7631 -18.6737 -12.3792 -20.7817 -9.56158 20.762 -13.0914 17.9848 -17.34 TIMING: 4978000 CPU: 15825.9, 0.00323885/step Wall: 15825.9, 0.00323885/step, 0.0197929 hours remaining, 237.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4978000 3952.9784 20466.9524 14450.0544 236.4153 -204221.5059 2862.4554 0.0000 0.0000 52307.0133 -109945.6367 300.6091 -162252.6500 -109578.5606 298.3829 221.2687 249.6263 759205.2272 3.6906 3.6205 PRESSURE: 4978200 194.849 -203.048 -98.7125 -203.048 -75.0318 71.5918 -98.7119 71.5925 -269.264 GPRESSURE: 4978200 163.668 -247.686 -44.4085 -211.365 -81.5933 88.285 -116.65 128.22 -157.527 PRESSAVG: 4978200 -59.2269 -15.5857 -30.7601 -15.5857 51.8709 17.2987 -30.7601 17.2987 3.38049 GPRESSAVG: 4978200 -60.0932 -16.3632 -30.5909 -12.3723 51.9785 16.9957 -31.2039 19.4426 4.3681 TIMING: 4978200 CPU: 15826.6, 0.00321099/step Wall: 15826.6, 0.00321099/step, 0.0194443 hours remaining, 237.695312 MB of memory in use. ENERGY: 4978200 3954.9790 20432.3834 14428.5317 247.9166 -203481.1658 2555.2094 0.0000 0.0000 51821.6608 -110040.4850 297.8198 -161862.1458 -109676.9922 298.5894 -49.8157 -25.1508 760384.2366 -1.3252 -1.2489 PRESSURE: 4978400 -293.315 -81.8228 -115.59 -81.8232 -628.434 132.482 -115.59 132.482 -351.038 GPRESSURE: 4978400 -290.145 -56.1519 -116.288 -49.3107 -470.723 78.9724 -44.2822 23.8843 -420.762 PRESSAVG: 4978400 -41.3505 -49.2518 -1.71147 -49.2518 2.4291 -4.9851 -1.7115 -4.98509 -18.2922 GPRESSAVG: 4978400 -41.048 -49.6253 -1.36229 -48.9703 1.89205 -4.03831 -0.59107 -5.80203 -19.0159 TIMING: 4978400 CPU: 15827.2, 0.00320061/step Wall: 15827.2, 0.00320061/step, 0.0192037 hours remaining, 237.695312 MB of memory in use. ENERGY: 4978400 3995.6222 20498.2769 14419.8188 243.7884 -203576.7514 2378.5440 0.0000 0.0000 51751.7018 -110288.9992 297.4177 -162040.7011 -109930.2520 297.8825 -424.2621 -393.8767 760532.4873 -19.0712 -19.3906 PRESSURE: 4978600 140.706 -129.211 -143.707 -129.211 -37.7652 66.5518 -143.707 66.5512 101.094 GPRESSURE: 4978600 127.571 -57.0708 -112.574 -90.4607 63.7592 38.7524 -128.007 56.5802 112.003 PRESSAVG: 4978600 2.25396 -55.5371 34.6465 -55.5371 -3.30561 12.5435 34.6465 12.5435 2.50748 GPRESSAVG: 4978600 1.88067 -55.3129 34.2719 -56.5121 -1.45491 13.6168 34.3394 9.63575 1.58545 TIMING: 4978600 CPU: 15827.8, 0.00321027/step Wall: 15827.8, 0.00321028/step, 0.0190833 hours remaining, 237.695312 MB of memory in use. ENERGY: 4978600 3931.3617 20540.3670 14519.8755 254.2538 -203686.6904 2475.8073 0.0000 0.0000 51911.5631 -110053.4619 298.3365 -161965.0250 -109689.4014 298.1426 68.0115 101.1110 760517.7819 0.4853 0.6704 PRESSURE: 4978800 -137.071 -12.389 -8.27531 -12.3898 -424.114 -176.237 -8.27542 -176.237 324.507 GPRESSURE: 4978800 -96.1718 -7.99451 -10.6364 64.2781 -388.008 -208.354 30.4257 -121.426 344.386 PRESSAVG: 4978800 55.6498 -36.947 46.1701 -36.947 33.4024 -4.52416 46.1701 -4.52422 -19.5948 GPRESSAVG: 4978800 56.2959 -34.7201 46.7237 -37.9303 32.3123 -5.79614 46.7772 -1.66682 -18.8679 TIMING: 4978800 CPU: 15828.5, 0.00324908/step Wall: 15828.5, 0.00324908/step, 0.0191335 hours remaining, 237.695312 MB of memory in use. ENERGY: 4978800 3941.8294 20490.1735 14433.7406 233.7558 -203861.8163 2565.2591 0.0000 0.0000 51931.4854 -110265.5725 298.4510 -162197.0579 -109893.0411 298.3531 -78.8926 -46.5980 758045.4565 23.1525 23.2468 PRESSURE: 4979000 -95.9288 -259.699 227.268 -259.7 -19.197 -126.715 227.268 -126.716 -22.2312 GPRESSURE: 4979000 -42.7821 -205.386 137.039 -304.87 -5.54774 -40.225 173.335 -98.9558 14.278 PRESSAVG: 4979000 12.273 -82.6087 -35.2613 -82.6087 -38.6714 18.1556 -35.2612 18.1557 3.13834 GPRESSAVG: 4979000 11.4605 -85.5029 -35.6207 -80.766 -38.4173 19.1514 -34.7788 18.7533 4.38852 TIMING: 4979000 CPU: 15829.1, 0.00322749/step Wall: 15829.1, 0.00322749/step, 0.018827 hours remaining, 237.695312 MB of memory in use. ENERGY: 4979000 3959.1659 20404.2681 14338.2124 253.3199 -203694.4313 2602.8886 0.0000 0.0000 52188.5056 -109948.0708 299.9281 -162136.5764 -109578.2521 298.3532 -45.7857 -11.3506 759102.9838 -7.7533 -7.5227 PRESSURE: 4979200 3.74338 -54.184 16.835 -54.1843 -39.2146 -12.8944 16.8338 -12.894 -317.577 GPRESSURE: 4979200 51.0653 -107.111 -4.86807 -128.093 -68.9246 -2.553 -47.0353 150.744 -249.473 PRESSAVG: 4979200 42.5856 -52.8831 -10.3267 -52.8832 -21.5569 7.22852 -10.3268 7.22852 -11.3538 GPRESSAVG: 4979200 43.8174 -52.6887 -8.98128 -54.1601 -21.5898 6.96548 -12.199 6.1339 -12.2838 TIMING: 4979200 CPU: 15829.8, 0.00319026/step Wall: 15829.8, 0.00319026/step, 0.0184326 hours remaining, 237.695312 MB of memory in use. ENERGY: 4979200 4009.9384 20550.5643 14354.4922 233.3265 -203352.6607 2371.6989 0.0000 0.0000 51919.6394 -109913.0010 298.3829 -161832.6404 -109554.7050 298.2018 -117.6829 -89.1107 759726.1824 3.2249 3.3146 PRESSURE: 4979400 -263.611 177.088 -79.9149 177.088 -208.825 -92.7201 -79.9147 -92.7202 -234.744 GPRESSURE: 4979400 -214.272 146.312 4.52809 64.1387 -124.667 -90.6947 -116.721 67.481 -289.106 PRESSAVG: 4979400 14.2915 -62.6419 -48.7422 -62.6419 -48.4671 -67.4854 -48.7422 -67.4853 22.2535 GPRESSAVG: 4979400 14.0664 -60.5461 -49.166 -63.5081 -48.0719 -67.8205 -47.8032 -65.717 22.4907 TIMING: 4979400 CPU: 15830.4, 0.00319801/step Wall: 15830.4, 0.00319801/step, 0.0182997 hours remaining, 237.695312 MB of memory in use. ENERGY: 4979400 4049.7183 20414.7670 14434.8400 255.7559 -202982.6021 2008.6341 0.0000 0.0000 52161.8579 -109657.0289 299.7749 -161818.8868 -109289.6828 298.6858 -235.7267 -209.3484 762943.2161 -3.9741 -3.8383 PRESSURE: 4979600 387.951 -155.79 -69.276 -155.79 -21.5619 -274.006 -69.275 -274.006 139.003 GPRESSURE: 4979600 341.638 -144.042 -61.8243 -237.11 96.0737 -230.438 10.7548 -303.306 139.768 PRESSAVG: 4979600 33.3454 -22.7968 -17.1051 -22.7968 -71.0973 -34.9029 -17.1052 -34.903 19.0236 GPRESSAVG: 4979600 33.9409 -24.9346 -17.4612 -23.3055 -71.9666 -34.5057 -16.2104 -38.5965 19.2632 TIMING: 4979600 CPU: 15831, 0.00321137/step Wall: 15831, 0.00321137/step, 0.0181978 hours remaining, 237.695312 MB of memory in use. ENERGY: 4979600 3971.3261 20498.9191 14462.1644 239.6793 -203565.2681 2718.4233 0.0000 0.0000 51972.2463 -109702.5097 298.6852 -161674.7560 -109338.6557 298.8005 168.4638 192.4934 760882.4711 -6.2428 -6.2541 PRESSURE: 4979800 19.4507 -72.77 42.9511 -72.7704 -160.44 32.1846 42.9518 32.186 143.241 GPRESSURE: 4979800 -15.8702 -191.048 56.2159 2.71823 -35.0489 12.532 -3.49703 -6.87597 136 PRESSAVG: 4979800 10.534 -43.374 3.97573 -43.374 -24.7892 -12.5114 3.97572 -12.5114 7.54665 GPRESSAVG: 4979800 9.3788 -43.9012 3.36941 -40.863 -23.1928 -14.0642 4.10652 -9.52776 6.88794 TIMING: 4979800 CPU: 15831.7, 0.00321988/step Wall: 15831.7, 0.00321988/step, 0.0180671 hours remaining, 237.695312 MB of memory in use. ENERGY: 4979800 3917.5785 20421.5174 14423.1671 247.2953 -203374.0334 2613.2199 0.0000 0.0000 52049.9149 -109701.3402 299.1316 -161751.2551 -109323.1524 299.1862 0.7506 28.3602 761482.8269 -2.2362 -2.3087 PRESSURE: 4980000 192.096 202.034 -81.677 202.035 -196.616 146.803 -81.6768 146.804 -346.241 GPRESSURE: 4980000 203.347 183.03 -68.3503 104.655 -161.286 85.9169 -117.832 -67.0167 -328.015 PRESSAVG: 4980000 15.4768 -82.2611 9.74684 -82.2612 -1.44883 -12.4108 9.74682 -12.4109 -2.24119 GPRESSAVG: 4980000 16.2751 -80.6791 11.0466 -84.1345 -1.51483 -11.876 7.01973 -15.5178 -3.33524 TIMING: 4980000 CPU: 15832.3, 0.00317871/step Wall: 15832.3, 0.00317871/step, 0.0176595 hours remaining, 237.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4980000 3895.1875 20592.5661 14466.2751 259.1868 -202820.8676 2259.5316 0.0000 0.0000 51813.8308 -109534.2897 297.7748 -161348.1204 -109178.1995 298.5608 -116.9201 -95.3177 762439.3589 3.9289 3.8083 PRESSURE: 4980200 63.317 115.585 152.441 115.585 274.246 -131.316 152.44 -131.316 85.4397 GPRESSURE: 4980200 228.169 78.4752 190.411 120.129 182.72 -138.241 64.2111 -70.2127 105.017 PRESSAVG: 4980200 84.7936 -21.9954 -37.807 -21.9954 -44.69 15.4229 -37.8071 15.423 14.4185 GPRESSAVG: 4980200 84.5021 -23.4103 -38.4159 -19.7564 -46.0147 15.5758 -35.1542 17.1393 16.303 TIMING: 4980200 CPU: 15833, 0.00319209/step Wall: 15833, 0.00319209/step, 0.0175565 hours remaining, 237.695312 MB of memory in use. ENERGY: 4980200 3994.1429 20619.4270 14434.8127 248.2173 -203444.5327 2742.6811 0.0000 0.0000 51938.4042 -109466.8476 298.4907 -161405.2518 -109110.1838 298.7949 141.0010 171.9686 761520.2589 18.1740 18.2635 LDB: ============= START OF LOAD BALANCING ============== 15845.4 LDB: ============== END OF LOAD BALANCING =============== 15845.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15845.4 LDB: ============= START OF LOAD BALANCING ============== 15845.7 LDB: Largest compute 7033 load 0.035753 is 18.2% of average load 0.195961 LDB: Average compute 0.004405 is 2.2% of average load 0.195961 LDB: TIME 15845.7 LOAD: AVG 0.195961 MAX 0.214763 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 237.496 MB LDB: TIME 15845.7 LOAD: AVG 0.195961 MAX 0.214763 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: TIME 15845.7 LOAD: AVG 0.195961 MAX 0.214763 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: ============== END OF LOAD BALANCING =============== 15845.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15845.7 PRESSURE: 4980400 -121.409 -313.223 69.4191 -313.224 -394.649 -123.171 69.4183 -123.171 -37.9139 GPRESSURE: 4980400 -134.9 -267.787 84.3232 -295.494 -231.342 -53.4165 56.2729 -75.7608 -128.783 PRESSAVG: 4980400 100.278 -67.6633 27.6861 -67.6632 -34.5587 -44.1336 27.686 -44.1336 -14.2743 GPRESSAVG: 4980400 101.158 -65.8005 27.4574 -67.8367 -34.3031 -44.5472 25.7789 -45.7038 -15.4309 TIMING: 4980400 CPU: 15833.6, 0.00324734/step Wall: 15833.6, 0.00324734/step, 0.01768 hours remaining, 238.980469 MB of memory in use. ENERGY: 4980400 3928.9773 20643.7964 14454.6525 244.4575 -203221.4125 2425.0372 0.0000 0.0000 52007.7663 -109516.7253 298.8893 -161524.4916 -109149.2779 299.2424 -184.6574 -165.0082 760077.3680 17.1482 17.1412 PRESSURE: 4980600 -364.349 3.34416 148.923 3.34377 -235.392 54.6403 148.923 54.6401 -379.475 GPRESSURE: 4980600 -349.825 42.0812 132.549 -1.69034 -230.872 -0.662848 135.274 156.217 -323.942 PRESSAVG: 4980600 24.5045 -79.557 -44.9434 -79.557 -23.4648 -36.043 -44.9433 -36.043 -33.5139 GPRESSAVG: 4980600 24.1621 -80.6417 -45.9226 -80.7972 -23.0722 -35.0537 -44.1477 -34.6918 -33.6297 TIMING: 4980600 CPU: 15834.3, 0.00317448/step Wall: 15834.3, 0.00317448/step, 0.0171069 hours remaining, 238.980469 MB of memory in use. ENERGY: 4980600 3956.8530 20608.3933 14415.3949 230.3005 -202921.3101 2269.3358 0.0000 0.0000 52001.6768 -109439.3558 298.8544 -161441.0326 -109073.1916 298.8868 -326.4053 -301.5461 761304.7981 -10.8247 -10.8466 PRESSURE: 4980800 -391.523 17.5012 106.02 17.4995 -195.956 112.168 106.02 112.168 -399.878 GPRESSURE: 4980800 -281.566 -33.1177 36.3071 87.5339 -295.402 176.946 136.153 164.477 -329.133 PRESSAVG: 4980800 45.4998 -28.3916 16.8978 -28.3916 -2.99711 6.56647 16.8978 6.56653 29.8453 GPRESSAVG: 4980800 45.1248 -28.1189 18.4411 -27.2131 -4.23413 5.75652 15.9102 7.84785 31.3513 TIMING: 4980800 CPU: 15834.9, 0.00318164/step Wall: 15834.9, 0.00318165/step, 0.0169688 hours remaining, 238.980469 MB of memory in use. ENERGY: 4980800 3965.1757 20599.4816 14424.6496 241.7042 -203159.8844 2427.6341 0.0000 0.0000 52049.0555 -109452.1836 299.1266 -161501.2391 -109099.4029 299.3231 -329.1190 -302.0340 761234.1422 24.1160 24.0807 PRESSURE: 4981000 -281.11 6.86463 -141.615 6.86434 -229.829 -72.9239 -141.616 -72.9247 98.0054 GPRESSURE: 4981000 -223.769 -65.8114 -140.781 -55.6916 -189.277 -24.0487 -182.908 -57.1091 103.647 PRESSAVG: 4981000 29.0736 -23.3643 15.2346 -23.3644 -41.2966 -12.0892 15.2346 -12.0891 -2.73355 GPRESSAVG: 4981000 31.4309 -24.7206 14.7724 -25.2103 -42.3781 -12.7134 16.8609 -11.0707 -3.68874 TIMING: 4981000 CPU: 15835.5, 0.00319446/step Wall: 15835.5, 0.00319446/step, 0.0168597 hours remaining, 238.980469 MB of memory in use. ENERGY: 4981000 3971.0674 20640.6789 14457.0486 222.3439 -203403.2473 2606.6809 0.0000 0.0000 51957.1653 -109548.2622 298.5985 -161505.4275 -109188.4117 298.9585 -137.6443 -103.1329 761368.5981 -4.9855 -4.8786 PRESSURE: 4981200 260.33 -103.685 65.3496 -103.686 105.253 482.023 65.349 482.024 70.0829 GPRESSURE: 4981200 155.417 -177.427 92.3689 -188.621 235.923 457.599 174.753 380.776 136.092 PRESSAVG: 4981200 16.8842 -36.7181 12.6262 -36.718 -21.9746 20.1324 12.6262 20.1325 5.74634 GPRESSAVG: 4981200 14.9187 -35.5275 13.1193 -37.1226 -19.3456 20.7382 13.7801 17.4383 5.66244 TIMING: 4981200 CPU: 15836.2, 0.0031823/step Wall: 15836.2, 0.0031823/step, 0.0166187 hours remaining, 238.980469 MB of memory in use. ENERGY: 4981200 3956.1703 20556.5959 14387.1544 244.2183 -203331.0578 2725.3334 0.0000 0.0000 52018.2136 -109443.3718 298.9494 -161461.5855 -109086.6251 299.3619 145.2220 175.8107 762068.8703 0.2187 0.4118 PRESSURE: 4981400 96.0706 -98.9628 49.1075 -98.9625 133.215 -53.3151 49.1081 -53.3154 305.98 GPRESSURE: 4981400 81.3113 -114.185 66.5671 -56.636 178.631 -34.1639 26.5804 -67.8371 379.625 PRESSAVG: 4981400 27.4733 -54.7078 33.9503 -54.7077 -51.1744 3.00506 33.9503 3.0051 9.75727 GPRESSAVG: 4981400 28.1506 -55.0718 32.9725 -53.0529 -50.9834 3.87983 34.4754 2.5103 9.08857 TIMING: 4981400 CPU: 15836.8, 0.00319685/step Wall: 15836.8, 0.00319685/step, 0.0165171 hours remaining, 238.980469 MB of memory in use. ENERGY: 4981400 4024.5430 20483.8892 14376.7598 240.5090 -203355.3089 2795.8851 0.0000 0.0000 51926.3518 -109507.3711 298.4215 -161433.7228 -109156.7717 299.0965 178.4219 213.1891 761702.0711 -4.6480 -4.5814 PRESSURE: 4981600 -135.952 53.0821 143.195 53.0824 -63.9491 199.184 143.196 199.184 -46.9341 GPRESSURE: 4981600 -101.953 71.5668 174.576 -4.56962 -49.4527 171.129 61.0783 62.77 -18.3248 PRESSAVG: 4981600 1.07441 -41.1253 -62.2709 -41.1253 -16.3913 11.0653 -62.2709 11.0653 0.361206 GPRESSAVG: 4981600 2.15069 -41.2946 -62.0486 -38.5215 -16.4344 9.68202 -63.778 11.3755 0.247921 TIMING: 4981600 CPU: 15837.4, 0.00319686/step Wall: 15837.4, 0.00319686/step, 0.0163395 hours remaining, 238.980469 MB of memory in use. ENERGY: 4981600 3992.1467 20501.0518 14516.8088 259.7619 -203623.0313 2907.1865 0.0000 0.0000 52039.9263 -109406.1493 299.0742 -161446.0756 -109043.7062 299.4690 -82.2785 -56.5767 762490.0675 -4.9852 -4.6786 PRESSURE: 4981800 212.524 -66.2071 -16.9884 -66.2072 149.348 -93.3921 -16.9885 -93.3923 19.8217 GPRESSURE: 4981800 236.466 14.0156 -40.1736 -89.8995 218.207 -73.1908 73.4583 -103.695 11.7971 PRESSAVG: 4981800 16.6656 -40.7807 -63.2215 -40.7807 -7.1162 -42.3696 -63.2215 -42.3695 -6.79517 GPRESSAVG: 4981800 16.2777 -40.9402 -62.4698 -42.4329 -6.91262 -42.3743 -61.4518 -41.4752 -7.03773 TIMING: 4981800 CPU: 15838.1, 0.00322591/step Wall: 15838.1, 0.0032259/step, 0.0163087 hours remaining, 238.980469 MB of memory in use. ENERGY: 4981800 4058.3416 20547.7882 14425.1571 238.4960 -203315.1841 2687.1940 0.0000 0.0000 52011.1563 -109347.0510 298.9088 -161358.2072 -108997.0697 299.4390 127.2310 155.4901 760739.1982 0.9181 0.7758 PRESSURE: 4982000 142.281 60.4165 71.809 60.4168 36.8053 -211.099 71.8089 -211.098 133.908 GPRESSURE: 4982000 112.706 6.96168 45.7804 6.38845 128.284 -229.73 144.04 -162.499 165.021 PRESSAVG: 4982000 -29.0469 -2.56462 19.0051 -2.56468 65.395 15.3983 19.005 15.3984 7.8833 GPRESSAVG: 4982000 -30.6673 -1.05133 18.9994 -4.78364 65.8825 16.8497 18.1555 14.607 8.66652 TIMING: 4982000 CPU: 15838.7, 0.00321036/step Wall: 15838.7, 0.00321036/step, 0.0160518 hours remaining, 238.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4982000 3990.7137 20315.8940 14430.9079 238.1871 -202850.6477 2306.8779 0.0000 0.0000 52015.2257 -109552.8414 298.9322 -161568.0671 -109186.9004 298.6943 104.3315 135.3368 759958.4046 14.7438 14.6272 PRESSURE: 4982200 -65.5608 -177.351 -38.0842 -177.351 -180.231 325.814 -38.0836 325.814 -399.215 GPRESSURE: 4982200 108.294 -195.349 -83.7487 -160.275 -215.639 303.009 35.4557 270.21 -445.114 PRESSAVG: 4982200 38.7235 -51.0798 -29.7655 -51.0799 -30.6512 10.1411 -29.7656 10.1411 -7.40484 GPRESSAVG: 4982200 40.6911 -51.296 -30.7234 -49.7905 -31.7392 9.05963 -30.0743 9.70379 -8.12908 TIMING: 4982200 CPU: 15839.4, 0.00318791/step Wall: 15839.4, 0.00318791/step, 0.0157625 hours remaining, 238.980469 MB of memory in use. ENERGY: 4982200 4013.9256 20478.6321 14390.7449 244.1074 -203200.5454 2527.8899 0.0000 0.0000 52027.4640 -109517.7815 299.0026 -161545.2455 -109154.5431 298.6788 -215.0021 -184.1532 760161.8973 0.2225 0.2743 PRESSURE: 4982400 21.6941 -76.4251 57.1687 -76.426 -67.854 -117.182 57.1683 -117.183 13.1156 GPRESSURE: 4982400 96.7667 -103.87 46.9358 -118.306 -36.6016 -88.9956 -82.0096 -240.312 -7.82112 PRESSAVG: 4982400 42.9702 -22.312 12.0167 -22.312 -34.9459 -25.6175 12.0167 -25.6175 13.5188 GPRESSAVG: 4982400 43.2134 -25.1217 12.2441 -22.0343 -35.2775 -25.7983 9.84367 -22.4029 13.1969 TIMING: 4982400 CPU: 15840, 0.00318869/step Wall: 15840, 0.00318869/step, 0.0155891 hours remaining, 238.980469 MB of memory in use. ENERGY: 4982400 3924.3238 20578.7789 14353.0502 251.0222 -203126.0883 2648.8579 0.0000 0.0000 51710.1809 -109659.8744 297.1791 -161370.0554 -109299.1994 298.5401 -11.0148 17.4480 762425.3286 7.1811 7.0443 PRESSURE: 4982600 109.735 -109.584 -173.307 -109.583 122.83 -528.37 -173.307 -528.37 119.732 GPRESSURE: 4982600 187.819 -93.4955 -204.131 -35.6571 168.039 -551.799 -71.9672 -408.069 99.5785 PRESSAVG: 4982600 2.23402 -88.8967 12.7467 -88.8967 -46.6317 -39.3546 12.7466 -39.3547 -2.23022 GPRESSAVG: 4982600 1.51739 -86.7258 13.3485 -88.3811 -46.6582 -40.3274 13.237 -40.1853 -1.61576 TIMING: 4982600 CPU: 15840.6, 0.00317022/step Wall: 15840.6, 0.00317023/step, 0.0153228 hours remaining, 238.980469 MB of memory in use. ENERGY: 4982600 3916.6494 20522.5548 14349.1344 260.2074 -203464.5428 2477.4689 0.0000 0.0000 52127.7393 -109810.7887 299.5788 -161938.5280 -109448.9068 298.4518 117.4322 151.8123 761081.3019 -15.5426 -15.5855 PRESSURE: 4982800 107.937 155.733 -190.97 155.734 143.68 73.0188 -190.97 73.0188 574.68 GPRESSURE: 4982800 144.358 243.776 -149.635 -15.4421 250.382 -41.7283 -104.95 170.736 510.346 PRESSAVG: 4982800 -22.8334 -80.5448 -4.17012 -80.5448 46.162 1.54059 -4.17008 1.54064 25.1027 GPRESSAVG: 4982800 -23.9993 -80.5046 -4.16378 -82.2147 47.0476 2.33429 -2.12512 4.21951 25.2296 TIMING: 4982800 CPU: 15841.3, 0.00318535/step Wall: 15841.3, 0.00318535/step, 0.0152189 hours remaining, 238.980469 MB of memory in use. ENERGY: 4982800 3961.9898 20466.7517 14445.4051 242.5737 -203763.7742 2874.1065 0.0000 0.0000 51905.4507 -109867.4968 298.3013 -161772.9474 -109505.5690 298.8122 275.4327 301.6953 759593.1750 16.1438 16.0926 PRESSURE: 4983000 -157.605 17.4081 257.117 17.4083 -355.035 -127.399 257.117 -127.398 -74.0625 GPRESSURE: 4983000 -93.833 -8.62295 69.0955 -16.2354 -337.803 -124.997 163.199 38.3745 -68.7864 PRESSAVG: 4983000 30.5028 -59.3823 29.5303 -59.3823 -28.3872 19.4233 29.5302 19.4233 -17.4621 GPRESSAVG: 4983000 31.3041 -59.9488 29.3573 -58.8078 -29.1263 19.9498 29.3812 15.6147 -17.7792 TIMING: 4983000 CPU: 15841.9, 0.00317325/step Wall: 15841.9, 0.00317325/step, 0.0149848 hours remaining, 238.980469 MB of memory in use. ENERGY: 4983000 4101.3932 20514.5200 14402.0666 243.1250 -203548.4948 2721.7448 0.0000 0.0000 51937.8811 -109627.7641 298.4877 -161565.6452 -109268.7635 298.7045 -195.5675 -166.8073 761507.1698 -5.1155 -5.2004 PRESSURE: 4983200 -46.3306 -102.746 137.104 -102.746 147.291 79.9692 137.104 79.9686 -6.21745 GPRESSURE: 4983200 33.2472 -47.6195 182.547 -12.4481 201.381 88.0577 65.225 118.096 -46.3701 PRESSAVG: 4983200 56.1614 -68.8353 36.3764 -68.8354 -56.5853 -22.6408 36.3763 -22.6409 -14.1661 GPRESSAVG: 4983200 56.7713 -68.8465 36.2849 -66.8469 -57.9587 -21.6403 33.9785 -22.0289 -13.2653 TIMING: 4983200 CPU: 15842.5, 0.00318803/step Wall: 15842.5, 0.00318803/step, 0.0148775 hours remaining, 238.980469 MB of memory in use. ENERGY: 4983200 3958.4466 20635.6798 14402.6716 239.3288 -203311.7436 2780.4818 0.0000 0.0000 51824.4607 -109470.6744 297.8359 -161295.1351 -109112.8146 299.3068 31.5809 62.7526 762108.9423 -4.8634 -4.8176 PRESSURE: 4983400 -111.708 -80.5423 -143.26 -80.5405 -169.072 18.4916 -143.26 18.4919 -349.741 GPRESSURE: 4983400 -114.574 -87.1532 -187.447 -88.2171 -85.2842 -41.291 -158.442 111.343 -339.424 PRESSAVG: 4983400 10.1935 -73.1774 -29.8779 -73.1774 12.8369 -32.7585 -29.8779 -32.7585 12.8954 GPRESSAVG: 4983400 8.81257 -71.7004 -30.5051 -73.3638 14.2764 -33.6487 -26.6497 -30.8437 12.9801 TIMING: 4983400 CPU: 15843.2, 0.00319489/step Wall: 15843.2, 0.0031949/step, 0.014732 hours remaining, 238.980469 MB of memory in use. ENERGY: 4983400 4097.7354 20535.1416 14313.3511 253.0702 -203169.4381 2672.3523 0.0000 0.0000 52002.6316 -109295.1559 298.8598 -161297.7875 -108938.8558 299.5867 -210.1738 -179.7607 764218.2802 11.9753 12.0230 PRESSURE: 4983600 205.411 -187.347 220.804 -187.346 60.2624 301.184 220.804 301.184 94.6551 GPRESSURE: 4983600 231.098 -167.482 170.933 -176.24 78.7264 294.014 235.562 376.824 128.575 PRESSAVG: 4983600 -18.15 -58.1311 -7.11383 -58.1311 -17.724 67.038 -7.11374 67.038 8.1299 GPRESSAVG: 4983600 -18.2334 -59.549 -5.52124 -58.709 -17.3888 66.1491 -8.44053 65.1079 7.10853 TIMING: 4983600 CPU: 15843.8, 0.00319777/step Wall: 15843.8, 0.00319777/step, 0.0145676 hours remaining, 238.980469 MB of memory in use. ENERGY: 4983600 3961.4798 20560.2246 14406.2253 251.2113 -203445.0398 2897.6132 0.0000 0.0000 52068.1444 -109300.1413 299.2363 -161368.2857 -108941.2982 299.6588 120.1095 146.1330 762388.3749 -9.2480 -9.5046 PRESSURE: 4983800 336.026 -18.6852 -57.8714 -18.6852 309.471 3.24523 -57.8709 3.24571 275.579 GPRESSURE: 4983800 353.068 11.4687 -72.4769 -34.3706 397.78 96.7601 -84.2261 -80.4766 249.174 PRESSAVG: 4983800 -51.9048 -58.8572 -44.8482 -58.8572 44.4185 17.4328 -44.8482 17.4328 0.283737 GPRESSAVG: 4983800 -51.3572 -57.1992 -45.4883 -60.5767 43.0248 19.788 -44.4315 18.3742 1.13504 TIMING: 4983800 CPU: 15844.5, 0.00316136/step Wall: 15844.5, 0.00316136/step, 0.0142261 hours remaining, 238.980469 MB of memory in use. ENERGY: 4983800 3986.5089 20452.1915 14347.2903 243.2483 -203472.9321 2764.6224 0.0000 0.0000 52457.2627 -109221.8080 301.4726 -161679.0706 -108851.2918 299.6971 307.0253 333.3406 760593.3516 -2.4009 -2.3991 PRESSURE: 4984000 175.311 192.793 74.5674 192.792 391.285 94.1669 74.5672 94.1671 376.656 GPRESSURE: 4984000 231.563 154.795 76.7528 152.572 430.091 40.6915 27.8682 21.4897 354.576 PRESSAVG: 4984000 56.3318 -48.5496 43.4234 -48.5496 -72.7922 -12.9319 43.4233 -12.9319 5.22818 GPRESSAVG: 4984000 56.1605 -48.7164 44.8895 -47.3899 -71.1927 -15.0581 44.5825 -14.12 3.73877 TIMING: 4984000 CPU: 15845.1, 0.0032213/step Wall: 15845.1, 0.00322131/step, 0.0143169 hours remaining, 238.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4984000 3956.6892 20405.4226 14386.4450 251.0843 -203284.3686 2611.5612 0.0000 0.0000 52461.8180 -109211.3484 301.4988 -161673.1663 -108840.1664 299.2870 314.4175 338.7432 761216.7838 -3.7441 -3.7645 PRESSURE: 4984200 8.10687 20.1487 -93.6732 20.1488 -313.901 -0.856276 -93.6735 -0.856057 -289.115 GPRESSURE: 4984200 -37.5937 -29.1234 -82.6247 -80.5663 -252.104 -81.4232 27.0769 -143.308 -214.651 PRESSAVG: 4984200 63.2239 -7.52701 -16.6552 -7.52706 -51.9407 -6.83458 -16.6552 -6.8345 -13.686 GPRESSAVG: 4984200 63.2636 -8.14113 -16.4354 -7.38806 -53.3893 -5.40138 -17.3771 -6.77889 -12.062 TIMING: 4984200 CPU: 15845.7, 0.00319693/step Wall: 15845.7, 0.00319693/step, 0.014031 hours remaining, 238.980469 MB of memory in use. ENERGY: 4984200 4003.0609 20803.9124 14390.1167 222.4352 -203200.4751 2482.5535 0.0000 0.0000 52064.1994 -109234.1970 299.2137 -161298.3965 -108869.9406 299.5712 -198.3029 -168.1163 760819.3929 -0.8009 -0.7292 LDB: ============= START OF LOAD BALANCING ============== 15858.1 LDB: ============== END OF LOAD BALANCING =============== 15858.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15858.1 LDB: ============= START OF LOAD BALANCING ============== 15858.5 LDB: Largest compute 7033 load 0.036170 is 18.4% of average load 0.196087 LDB: Average compute 0.004409 is 2.2% of average load 0.196087 LDB: TIME 15858.5 LOAD: AVG 0.196087 MAX 0.214276 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.051 MB LDB: TIME 15858.5 LOAD: AVG 0.196087 MAX 0.214276 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: TIME 15858.5 LOAD: AVG 0.196087 MAX 0.214276 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: ============== END OF LOAD BALANCING =============== 15858.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15858.5 PRESSURE: 4984400 158.05 -115.832 246.123 -115.832 172.646 -324.103 246.124 -324.104 247.576 GPRESSURE: 4984400 153.642 -29.9057 285.519 -119.39 172.566 -237.42 157.498 -248.335 343.317 PRESSAVG: 4984400 14.4799 -37.8573 7.65229 -37.8573 -49.8652 -79.9665 7.65226 -79.9664 7.11616 GPRESSAVG: 4984400 14.0362 -39.8827 8.1271 -36.9083 -48.9069 -81.6434 6.89098 -78.9563 6.61793 TIMING: 4984400 CPU: 15846.4, 0.00325006/step Wall: 15846.4, 0.00325006/step, 0.0140836 hours remaining, 238.414062 MB of memory in use. ENERGY: 4984400 3969.9068 20491.4491 14396.8194 245.9440 -203537.1855 2720.5882 0.0000 0.0000 52448.8950 -109263.5830 301.4245 -161712.4780 -108891.4692 299.5606 192.7576 223.1749 759671.3213 -9.4230 -9.4176 PRESSURE: 4984600 -202.723 -75.9822 -45.5516 -75.9823 -145.265 -113.798 -45.5514 -113.797 38.9426 GPRESSURE: 4984600 -176.791 -210.046 -45.701 -157.321 -129.277 -107.642 -37.2202 -122.122 70.8354 PRESSAVG: 4984600 32.7522 -14.1991 -29.8511 -14.199 -26.0919 0.338146 -29.8511 0.338124 5.06923 GPRESSAVG: 4984600 33.8771 -12.3556 -29.1955 -14.2506 -27.4675 0.365808 -28.6851 -0.181674 5.32369 TIMING: 4984600 CPU: 15847, 0.00316788/step Wall: 15847, 0.00316788/step, 0.0135515 hours remaining, 238.617188 MB of memory in use. ENERGY: 4984600 3970.2547 20650.5002 14391.0343 263.3381 -203238.4724 2483.0667 0.0000 0.0000 52343.0681 -109137.2104 300.8163 -161480.2784 -108771.2005 300.0696 -103.0150 -78.4107 760232.0499 3.9098 3.9111 PRESSURE: 4984800 16.3017 134.382 151.561 134.381 72.5646 125.003 151.56 125.003 -37.4036 GPRESSURE: 4984800 43.1505 105.422 142.858 61.8945 87.8606 194.936 133.885 79.4472 5.35398 PRESSAVG: 4984800 66.1924 -19.0175 5.01198 -19.0175 -58.0257 18.2681 5.01193 18.2681 18.0492 GPRESSAVG: 4984800 66.3557 -20.5125 3.58697 -21.0779 -57.4478 18.8406 4.44058 17.9479 17.5924 TIMING: 4984800 CPU: 15847.7, 0.00317087/step Wall: 15847.7, 0.00317087/step, 0.0133881 hours remaining, 238.617188 MB of memory in use. ENERGY: 4984800 4015.5534 20589.7276 14316.1434 234.7909 -203125.6060 2326.7431 0.0000 0.0000 52336.4132 -109306.2344 300.7781 -161642.6476 -108941.3897 300.0707 17.1542 45.4550 759450.2717 8.7386 8.8334 PRESSURE: 4985000 -189.796 36.2537 196.377 36.2538 -330.789 39.3971 196.376 39.3952 -148.678 GPRESSURE: 4985000 -169.264 202.897 95.361 32.268 -310.447 27.9102 178.582 207.21 -102.796 PRESSAVG: 4985000 47.2854 14.2768 12.365 14.2768 -35.2845 48.6677 12.365 48.6676 0.507706 GPRESSAVG: 4985000 47.1588 15.9245 12.0809 16.0092 -35.3229 48.5393 13.8438 50.5294 0.741882 TIMING: 4985000 CPU: 15848.3, 0.00315988/step Wall: 15848.3, 0.00315988/step, 0.0131662 hours remaining, 238.617188 MB of memory in use. ENERGY: 4985000 3974.9414 20575.5546 14477.8758 245.7589 -203048.2907 2191.4143 0.0000 0.0000 52234.6321 -109348.1136 300.1931 -161582.7456 -108997.5411 299.6550 -223.0878 -194.1689 758578.4128 4.1695 4.1926 PRESSURE: 4985200 -227.517 -168.068 81.3879 -168.068 -123.387 122.264 81.3873 122.264 8.77216 GPRESSURE: 4985200 -83.5701 -256.933 57.2565 -188.694 -167.104 91.5287 80.3032 121.269 -2.65889 PRESSAVG: 4985200 71.9567 -52.9808 70.5266 -52.9808 -95.2514 -13.3335 70.5266 -13.3335 -0.179516 GPRESSAVG: 4985200 72.218 -52.0297 70.1484 -53.9102 -96.5798 -12.8473 70.1003 -15.3557 0.929355 TIMING: 4985200 CPU: 15848.9, 0.00316198/step Wall: 15848.9, 0.00316198/step, 0.0129993 hours remaining, 238.617188 MB of memory in use. ENERGY: 4985200 4036.9137 20516.2955 14451.4611 245.7054 -202898.3269 2251.2804 0.0000 0.0000 52144.0358 -109252.6350 299.6725 -161396.6709 -108878.6883 299.7210 -114.0440 -84.4442 760471.0156 -7.8247 -7.8108 PRESSURE: 4985400 684.05 43.6118 -155.977 43.6117 39.7351 -123.215 -155.976 -123.213 144.779 GPRESSURE: 4985400 600.51 -67.6973 -164.006 21.4765 187.12 -5.37303 -139.359 -186.49 175.299 PRESSAVG: 4985400 83.036 -46.3827 -36.8513 -46.3828 -70.711 9.93704 -36.8512 9.93709 29.9173 GPRESSAVG: 4985400 81.1405 -49.4597 -36.7564 -48.4159 -68.1662 9.41921 -34.6855 11.625 29.5476 TIMING: 4985400 CPU: 15849.6, 0.00315569/step Wall: 15849.6, 0.00315569/step, 0.0127981 hours remaining, 238.617188 MB of memory in use. ENERGY: 4985400 3883.3757 20643.6192 14461.6589 235.3841 -203112.3951 2545.3233 0.0000 0.0000 52243.4270 -109099.6069 300.2437 -161343.0339 -108738.2919 300.0356 289.5214 320.9763 760258.3951 14.0807 14.1740 PRESSURE: 4985600 198.679 -49.5816 11.579 -49.5815 -152.436 91.9431 11.5791 91.9432 -120.798 GPRESSURE: 4985600 127.895 9.62708 24.0596 -25.7042 -26.514 96.6644 -89.9853 3.68569 -93.5114 PRESSAVG: 4985600 32.9526 -7.27335 -9.8432 -7.27342 -13.4719 -6.35866 -9.84327 -6.3587 -2.64618 GPRESSAVG: 4985600 33.4452 -5.01176 -9.11134 -5.11775 -14.7664 -5.47819 -12.0904 -8.34337 -2.34734 TIMING: 4985600 CPU: 15850.2, 0.0031637/step Wall: 15850.2, 0.0031637/step, 0.0126548 hours remaining, 238.617188 MB of memory in use. ENERGY: 4985600 4017.5243 20692.3729 14362.9846 226.1505 -203453.1063 2716.1814 0.0000 0.0000 52201.5383 -109236.3543 300.0030 -161437.8926 -108872.6075 300.5700 -24.8516 2.6231 761092.3200 5.6115 5.4438 PRESSURE: 4985800 -12.3831 -67.3112 114.894 -67.3109 -135.148 -81.2928 114.894 -81.2921 -9.39686 GPRESSURE: 4985800 -2.5242 -35.6233 140.527 -88.2378 -172.587 -13.6435 54.5306 20.5177 83.0397 PRESSAVG: 4985800 29.3544 -38.2049 34.998 -38.2049 -66.6646 -18.039 34.998 -18.039 12.3725 GPRESSAVG: 4985800 30.103 -37.5681 34.7479 -37.8858 -67.4915 -18.2517 34.0789 -16.5377 11.8884 TIMING: 4985800 CPU: 15850.8, 0.00319346/step Wall: 15850.8, 0.00319346/step, 0.0125964 hours remaining, 238.617188 MB of memory in use. ENERGY: 4985800 3953.8652 20710.5402 14436.0644 236.5069 -203241.2157 2480.9187 0.0000 0.0000 52566.7528 -108856.5676 302.1019 -161423.3204 -108483.6529 300.6818 -52.3093 -30.6904 762361.4158 -8.3126 -8.5000 PRESSURE: 4986000 -363.595 -234.422 -256.736 -234.423 -24.0866 115.396 -256.736 115.396 187.851 GPRESSURE: 4986000 -232.822 -201.08 -223.312 -290.803 15.712 119.613 -291.065 163.419 94.1563 PRESSAVG: 4986000 34.4484 -52.391 -18.3951 -52.3909 -48.1646 -3.66647 -18.395 -3.6665 -0.623839 GPRESSAVG: 4986000 33.448 -54.1151 -18.4758 -51.6052 -47.3438 -4.56895 -19.6556 -4.43683 -0.916642 TIMING: 4986000 CPU: 15851.5, 0.0031826/step Wall: 15851.5, 0.0031826/step, 0.0123768 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4986000 4004.8294 20600.5159 14363.9076 239.2248 -202520.4955 2168.7918 0.0000 0.0000 52043.8307 -109099.3952 299.0966 -161143.2260 -108728.5242 300.2797 -66.6100 -40.9847 763364.8401 -4.7800 -4.9375 PRESSURE: 4986200 -2.58128 -109.214 -136.359 -109.213 103.687 56.9233 -136.359 56.9238 300.832 GPRESSURE: 4986200 73.7065 -185.076 -138.372 -154.39 84.4584 154.288 -270.021 -28.4822 318.908 PRESSAVG: 4986200 -29.9375 -39.2497 -1.67407 -39.2496 17.5576 -16.0094 -1.67411 -16.0094 11.0479 GPRESSAVG: 4986200 -29.5839 -38.7558 -2.41007 -40.2482 17.2087 -14.709 -1.41231 -17.5287 11.5257 TIMING: 4986200 CPU: 15852.1, 0.00319102/step Wall: 15852.1, 0.00319102/step, 0.0122323 hours remaining, 238.617188 MB of memory in use. ENERGY: 4986200 3888.3867 20591.7348 14444.9620 246.5418 -203002.4784 2513.6969 0.0000 0.0000 52184.6167 -109132.5395 299.9057 -161317.1563 -108770.5770 300.0315 133.9795 159.0242 761249.9905 -0.4440 -0.2832 PRESSURE: 4986400 17.8615 107.899 -217.936 107.899 -258.549 107.709 -217.936 107.709 -399.024 GPRESSURE: 4986400 74.3491 54.1425 -76.8911 114.908 -274.821 29.0565 -175.411 185.344 -345.166 PRESSAVG: 4986400 19.8376 -71.3212 -6.64109 -71.3212 -1.13149 46.64 -6.64105 46.6401 -19.9727 GPRESSAVG: 4986400 21.1158 -71.7157 -6.49058 -71.5129 -2.36829 45.7503 -4.29734 48.0433 -20.0397 TIMING: 4986400 CPU: 15852.7, 0.00322166/step Wall: 15852.7, 0.00322166/step, 0.0121707 hours remaining, 238.617188 MB of memory in use. ENERGY: 4986400 4030.0803 20694.7648 14427.5568 237.9982 -202980.3055 2341.5997 0.0000 0.0000 52151.0415 -109097.2641 299.7128 -161248.3056 -108728.7450 300.3041 -213.2372 -181.8795 760708.1725 -0.4222 -0.4307 PRESSURE: 4986600 394.479 -44.2345 -130.955 -44.235 146.812 8.85119 -130.956 8.85218 -237.809 GPRESSURE: 4986600 395.572 -96.8549 -42.1458 61.1295 228.324 33.9949 -65.4758 -46.5109 -230.47 PRESSAVG: 4986600 50.7895 -51.855 -23.5486 -51.8551 -47.1515 -16.06 -23.5486 -16.0599 10.6284 GPRESSAVG: 4986600 49.2014 -52.1698 -23.7195 -51.3245 -45.3053 -15.6059 -21.4937 -15.353 10.2412 TIMING: 4986600 CPU: 15853.4, 0.00318687/step Wall: 15853.4, 0.00318687/step, 0.0118622 hours remaining, 238.617188 MB of memory in use. ENERGY: 4986600 4032.0545 20620.0265 14403.8478 257.8233 -203433.5936 2602.0936 0.0000 0.0000 52135.4299 -109382.3180 299.6230 -161517.7479 -109019.7314 299.6973 101.1607 131.1420 759882.8847 4.7555 4.7124 PRESSURE: 4986800 11.1001 -15.9748 62.6349 -15.9753 -118.969 5.99813 62.6352 5.99803 -586.428 GPRESSURE: 4986800 55.0867 -100.72 54.2217 90.1378 -88.4552 -6.3326 144.416 58.6388 -587.58 PRESSAVG: 4986800 94.5646 3.42105 -24.464 3.42107 -31.6898 26.8453 -24.464 26.8454 -3.86957 GPRESSAVG: 4986800 95.0618 3.42331 -25.6327 2.90456 -33.033 26.9146 -26.1437 26.0593 -3.3854 TIMING: 4986800 CPU: 15854, 0.00320761/step Wall: 15854, 0.0032076/step, 0.0117612 hours remaining, 238.617188 MB of memory in use. ENERGY: 4986800 4091.7790 20618.1717 14416.4630 223.4358 -203436.5628 2623.3845 0.0000 0.0000 51907.7116 -109555.6173 298.3143 -161463.3288 -109196.2762 299.6187 -231.4323 -206.9828 760822.7495 19.6684 19.5478 PRESSURE: 4987000 -213.492 33.3538 176.617 33.354 -135.053 -139.88 176.618 -139.881 -64.3725 GPRESSURE: 4987000 -150.828 -42.6335 210.053 73.6929 -129.223 -179.337 132.392 1.43952 -59.0489 PRESSAVG: 4987000 14.8685 -34.1002 -20.9785 -34.1002 14.9814 28.8461 -20.9784 28.8462 16.3763 GPRESSAVG: 4987000 14.3367 -33.9869 -18.2826 -33.2683 14.9676 29.1434 -23.3546 30.5058 17.1205 TIMING: 4987000 CPU: 15854.7, 0.00320106/step Wall: 15854.7, 0.00320106/step, 0.0115594 hours remaining, 238.617188 MB of memory in use. ENERGY: 4987000 4021.2620 20578.4396 14426.3503 242.3878 -203540.5788 2484.1901 0.0000 0.0000 51991.0556 -109796.8935 298.7933 -161787.9491 -109431.5648 299.3342 -137.6392 -113.0332 760637.1050 15.4087 15.4749 PRESSURE: 4987200 183.579 79.2929 16.7208 79.2936 70.587 -203.416 16.7204 -203.415 216.753 GPRESSURE: 4987200 337.058 30.3339 -49.883 73.6117 82.6009 -90.2993 52.7293 -197.466 131.469 PRESSAVG: 4987200 1.36544 -12.2069 17.8189 -12.2068 -9.67703 -47.6785 17.8189 -47.6786 -8.2192 GPRESSAVG: 4987200 1.31914 -10.7257 16.3732 -14.0161 -9.05549 -49.1775 19.786 -46.6018 -8.5364 TIMING: 4987200 CPU: 15855.3, 0.00318574/step Wall: 15855.3, 0.00318574/step, 0.0113271 hours remaining, 238.617188 MB of memory in use. ENERGY: 4987200 3885.2949 20611.0449 14340.0613 217.2890 -203647.2918 2516.6891 0.0000 0.0000 51950.6688 -110126.2437 298.5612 -162076.9125 -109759.2970 298.3198 156.9730 183.7093 758488.5695 -5.5103 -5.4242 PRESSURE: 4987400 -376.706 2.36254 -184.994 2.36247 -110.207 171.206 -184.994 171.206 253.065 GPRESSURE: 4987400 -318.996 64.1917 -132.582 140.772 -164.007 86.6103 -234.354 182.434 344.951 PRESSAVG: 4987400 19.2083 -27.3593 24.0781 -27.3593 -10.8573 -59.3066 24.0782 -59.3065 14.614 GPRESSAVG: 4987400 19.654 -29.2424 26.078 -24.951 -10.784 -59.6695 22.7933 -61.4434 14.4345 TIMING: 4987400 CPU: 15855.9, 0.0031954/step Wall: 15855.9, 0.0031954/step, 0.0111839 hours remaining, 238.617188 MB of memory in use. ENERGY: 4987400 4083.7170 20607.9905 14412.1373 248.0866 -203580.9249 2459.9861 0.0000 0.0000 51858.1987 -109910.8088 298.0298 -161769.0074 -109554.5209 298.5022 -77.9493 -46.0176 761052.1418 7.6550 7.7682 PRESSURE: 4987600 -235.984 -162.636 174.805 -162.636 -165.552 98.5124 174.805 98.5132 -34.2868 GPRESSURE: 4987600 -139.068 -185.857 256.628 -269.139 -187.351 76.6162 241.828 5.3061 -39.6787 PRESSAVG: 4987600 13.5384 -50.7234 13.503 -50.7234 -5.98332 -21.0459 13.503 -21.0459 -9.48083 GPRESSAVG: 4987600 15.5573 -49.7577 12.4743 -53.2431 -7.58646 -18.8851 15.5829 -21.5609 -9.71624 TIMING: 4987600 CPU: 15856.6, 0.00318204/step Wall: 15856.6, 0.00318204/step, 0.0109604 hours remaining, 238.617188 MB of memory in use. ENERGY: 4987600 4040.2190 20655.7956 14464.4187 254.7607 -203816.9767 2718.1872 0.0000 0.0000 52038.7725 -109644.8231 299.0675 -161683.5956 -109290.1760 299.2428 -145.2740 -122.0322 760764.5397 -0.6419 -0.5818 PRESSURE: 4987800 -174.17 -107.927 -103.934 -107.926 -96.928 -186.492 -103.934 -186.491 107.242 GPRESSURE: 4987800 -54.8032 -26.7141 -63.4109 -67.2237 -115.001 -169.412 -36.8136 -207.893 99.3968 PRESSAVG: 4987800 -2.33914 -71.3923 53.6928 -71.3922 3.79847 25.3481 53.6927 25.348 17.6647 GPRESSAVG: 4987800 -4.2392 -72.0171 54.3167 -69.9122 5.78489 25.767 53.6516 22.9735 17.7752 TIMING: 4987800 CPU: 15857.2, 0.00317474/step Wall: 15857.2, 0.00317474/step, 0.0107588 hours remaining, 238.617188 MB of memory in use. ENERGY: 4987800 4085.3323 20594.6618 14411.0399 240.2280 -203245.8971 2370.8174 0.0000 0.0000 51876.3918 -109667.4260 298.1343 -161543.8178 -109305.3025 299.0238 -54.6187 -23.4690 761346.0081 6.3747 6.4403 PRESSURE: 4988000 166.614 76.228 -163.879 76.2282 -18.5394 49.5791 -163.879 49.578 -370.706 GPRESSURE: 4988000 216.158 59.2391 -178.728 65.9965 -0.326403 -38.3335 -83.4869 119.722 -362.333 PRESSAVG: 4988000 55.2214 1.09185 -47.3872 1.09185 -50.4062 6.07518 -47.3872 6.07517 9.49023 GPRESSAVG: 4988000 55.2172 1.43805 -49.019 0.430056 -51.0523 4.42758 -48.78 9.55147 9.5735 TIMING: 4988000 CPU: 15857.8, 0.00317242/step Wall: 15857.8, 0.00317242/step, 0.0105747 hours remaining, 238.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4988000 3969.9136 20482.7992 14401.8581 250.5937 -203400.5805 2381.3621 0.0000 0.0000 52066.0298 -109848.0240 299.2242 -161914.0538 -109489.7475 298.5908 -74.2105 -48.8340 759637.8871 4.7685 4.5794 PRESSURE: 4988200 -1.32854 -191.854 26.9036 -191.854 379.586 159.799 26.904 159.799 -133.021 GPRESSURE: 4988200 77.7567 -164.025 62.9048 -116.106 453.256 194.749 -41.8048 27.8931 -201.725 PRESSAVG: 4988200 6.38162 -28.7048 -1.06478 -28.7048 16.0959 -31.9582 -1.06484 -31.9582 -10.0225 GPRESSAVG: 4988200 7.52101 -29.2698 -1.69032 -30.0243 15.4371 -31.1828 -1.2286 -32.7263 -10.6766 TIMING: 4988200 CPU: 15858.5, 0.00317692/step Wall: 15858.5, 0.00317692/step, 0.0104132 hours remaining, 238.617188 MB of memory in use. ENERGY: 4988200 3922.0189 20454.1231 14364.8949 241.7815 -203450.7640 2485.8182 0.0000 0.0000 52034.9659 -109947.1615 299.0457 -161982.1274 -109584.2839 298.3539 81.7454 109.7625 760099.7472 4.1517 4.0938 LDB: ============= START OF LOAD BALANCING ============== 15870.9 LDB: ============== END OF LOAD BALANCING =============== 15870.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15870.9 LDB: ============= START OF LOAD BALANCING ============== 15871.2 LDB: Largest compute 7033 load 0.034974 is 17.8% of average load 0.196008 LDB: Average compute 0.004424 is 2.3% of average load 0.196008 LDB: TIME 15871.2 LOAD: AVG 0.196008 MAX 0.21368 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.125 MB LDB: TIME 15871.2 LOAD: AVG 0.196008 MAX 0.21368 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 15871.2 LOAD: AVG 0.196008 MAX 0.21368 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 15871.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15871.2 PRESSURE: 4988400 -119.924 -218.59 26.1135 -218.59 -245.252 -27.3039 26.114 -27.3049 -355.755 GPRESSURE: 4988400 -180.997 -150.853 16.2909 -220.506 -163.665 -55.2619 -41.1775 3.82554 -286.161 PRESSAVG: 4988400 20.7533 -11.5618 -39.7766 -11.5619 -49.6578 -27.3097 -39.7766 -27.3097 4.65515 GPRESSAVG: 4988400 18.4289 -11.369 -39.7954 -8.2161 -48.3654 -28.1539 -38.8938 -26.7937 5.14159 TIMING: 4988400 CPU: 15859.1, 0.00326992/step Wall: 15859.1, 0.00326992/step, 0.0105364 hours remaining, 238.152344 MB of memory in use. ENERGY: 4988400 4043.0082 20371.9474 14371.1794 257.9388 -203840.5646 2935.7079 0.0000 0.0000 51824.6311 -110036.1518 297.8369 -161860.7829 -109679.1724 297.9311 -240.3102 -210.2742 762339.4313 -8.0831 -8.2649 PRESSURE: 4988600 -268.359 9.32102 -73.8614 9.3215 -319.855 -73.9654 -73.8615 -73.9643 175.049 GPRESSURE: 4988600 -185.297 33.705 -29.4043 -5.60773 -258.838 -98.5516 -36.9046 -175.986 126.995 PRESSAVG: 4988600 0.586113 -8.65026 17.4758 -8.65031 -2.48476 -46.8814 17.4757 -46.8814 13.933 GPRESSAVG: 4988600 1.91137 -7.58237 19.0375 -10.1487 -2.11764 -46.4774 17.785 -50.2144 12.0102 TIMING: 4988600 CPU: 15859.8, 0.00318717/step Wall: 15859.8, 0.00318717/step, 0.0100927 hours remaining, 238.355469 MB of memory in use. ENERGY: 4988600 3948.7805 20625.6199 14287.9675 226.1817 -203603.6537 2462.6445 0.0000 0.0000 52238.4064 -109814.0532 300.2148 -162052.4596 -109452.2996 298.6609 -137.7216 -105.7133 761098.4915 4.0114 3.9346 PRESSURE: 4988800 89.8825 220.913 -18.8182 220.913 -109.169 -22.4623 -18.8186 -22.4635 362.685 GPRESSURE: 4988800 132.411 195.529 18.4312 202.887 -78.2382 -53.2777 -186.041 111.904 383.388 PRESSAVG: 4988800 60.6556 11.1674 1.99976 11.1674 -20.3194 -3.45572 1.99976 -3.45572 -33.9248 GPRESSAVG: 4988800 60.338 9.4492 1.71886 12.3246 -20.8784 -3.75279 0.630607 -1.87906 -32.9149 TIMING: 4988800 CPU: 15860.4, 0.00320946/step Wall: 15860.4, 0.00320946/step, 0.00998499 hours remaining, 238.355469 MB of memory in use. ENERGY: 4988800 3929.7432 20585.2546 14376.1749 257.2541 -204051.0878 2676.0375 0.0000 0.0000 52091.7367 -110134.8867 299.3719 -162226.6235 -109773.0805 298.7131 114.4661 145.8537 759726.8869 2.1372 2.1815 PRESSURE: 4989000 -438.045 -163.146 74.8447 -163.146 198.453 -12.1735 74.846 -12.1723 437.897 GPRESSURE: 4989000 -362.185 -217.424 39.5468 -236.738 126.088 11.6692 64.9459 74.4735 488.314 PRESSAVG: 4989000 23.3996 -4.66407 -8.4447 -4.66403 -6.6775 -30.8069 -8.44468 -30.8069 -23.4716 GPRESSAVG: 4989000 23.8331 -3.2988 -9.6475 -6.95601 -7.49383 -28.8167 -8.48902 -30.998 -23.4265 TIMING: 4989000 CPU: 15861.1, 0.00317942/step Wall: 15861.1, 0.00317942/step, 0.00971489 hours remaining, 238.355469 MB of memory in use. ENERGY: 4989000 4013.4954 20603.2464 14473.7241 256.3926 -203841.6467 2675.2686 0.0000 0.0000 51698.2702 -110121.2494 297.1107 -161819.5196 -109761.8912 298.6151 66.1017 84.0724 757779.0897 -2.2498 -2.3624 PRESSURE: 4989200 -26.7489 19.662 245.805 19.6617 -332.235 -34.7481 245.805 -34.7489 -420.469 GPRESSURE: 4989200 19.8828 65.5999 314.742 12.4316 -332.178 -29.6458 232.907 47.8697 -391.512 PRESSAVG: 4989200 40.4005 9.63964 18.5737 9.63968 -50.5681 -52.911 18.5738 -52.9111 -7.918 GPRESSAVG: 4989200 40.1411 8.21911 18.5607 10.9185 -50.1697 -54.0981 19.0923 -53.0271 -7.84637 TIMING: 4989200 CPU: 15861.7, 0.00317264/step Wall: 15861.7, 0.00317264/step, 0.00951792 hours remaining, 238.355469 MB of memory in use. ENERGY: 4989200 3923.0328 20471.7450 14501.4485 244.6659 -203504.4147 2470.9791 0.0000 0.0000 51739.1784 -110153.3649 297.3458 -161892.5433 -109800.9006 298.1874 -259.8174 -234.6022 760445.5414 -6.0285 -5.9583 PRESSURE: 4989400 184.668 142.761 -10.7452 142.761 202.135 -135.433 -10.7451 -135.433 -209.477 GPRESSURE: 4989400 151.574 93.9909 20.5428 86.3308 295.954 -146.013 115.494 -111.592 -185.153 PRESSAVG: 4989400 81.6992 -11.6272 19.2159 -11.6272 -47.9111 -3.90633 19.2159 -3.90628 -8.65196 GPRESSAVG: 4989400 82.2923 -11.0674 18.286 -12.2721 -49.0121 -5.6986 20.243 -3.30342 -8.57004 TIMING: 4989400 CPU: 15862.3, 0.00317711/step Wall: 15862.3, 0.00317711/step, 0.00935481 hours remaining, 238.355469 MB of memory in use. ENERGY: 4989400 3932.1054 20406.3090 14427.5944 238.6762 -204180.5894 3074.6681 0.0000 0.0000 51841.9057 -110259.3306 297.9361 -162101.2363 -109885.1704 298.1188 59.1087 87.4583 759969.5126 8.3787 8.2367 PRESSURE: 4989600 -272.313 121.091 -28.6628 121.092 -558.261 -25.2346 -28.6626 -25.2346 -394.143 GPRESSURE: 4989600 -294.261 107.534 30.3361 127.057 -445.567 37.3444 -36.0951 51.2239 -395.67 PRESSAVG: 4989600 45.6281 4.37042 26.5698 4.37042 -40.0725 29.4327 26.5699 29.4327 -8.58384 GPRESSAVG: 4989600 45.3086 4.10008 27.3314 5.70057 -40.345 30.8471 25.9481 28.9898 -7.84991 TIMING: 4989600 CPU: 15863, 0.00316557/step Wall: 15863, 0.00316557/step, 0.00914498 hours remaining, 238.355469 MB of memory in use. ENERGY: 4989600 3982.2166 20452.8540 14380.8729 228.1405 -203349.3501 2315.2447 0.0000 0.0000 51842.6139 -110147.4075 297.9402 -161990.0214 -109789.2950 297.8181 -408.2391 -378.4993 760964.4657 -1.0094 -0.9621 PRESSURE: 4989800 -161.628 84.7094 148.598 84.7094 91.382 3.39997 148.597 3.40048 11.9986 GPRESSURE: 4989800 -36.4033 -20.1771 96.5026 81.6462 51.1005 47.9965 173.666 -33.6839 37.5292 PRESSAVG: 4989800 26.4259 19.6216 -16.4554 19.6216 -68.1507 25.2753 -16.4554 25.2753 33.7134 GPRESSAVG: 4989800 25.5033 19.6688 -16.9502 18.1913 -66.7731 24.2213 -15.565 27.1353 33.8807 TIMING: 4989800 CPU: 15863.6, 0.00316627/step Wall: 15863.6, 0.00316627/step, 0.00897111 hours remaining, 238.355469 MB of memory in use. ENERGY: 4989800 3997.2568 20559.7965 14387.0268 250.9602 -203755.2848 2570.3798 0.0000 0.0000 51923.0419 -110066.8228 298.4024 -161989.8647 -109704.8685 297.9796 -19.4157 17.4088 759420.9968 -2.6705 -2.4631 PRESSURE: 4990000 22.6279 -17.2117 -81.5056 -17.2116 -326.67 105.046 -81.5058 105.045 -509.1 GPRESSURE: 4990000 -33.7348 30.2899 -48.845 -108.616 -271.522 116.123 -5.54991 68.5971 -437.473 PRESSAVG: 4990000 45.1364 -29.9256 -59.5576 -29.9255 -46.9859 13.7915 -59.5576 13.7915 -3.14458 GPRESSAVG: 4990000 46.0887 -27.4353 -59.279 -27.6495 -47.8111 14.5509 -61.0841 11.7978 -4.06987 TIMING: 4990000 CPU: 15864.2, 0.00317759/step Wall: 15864.2, 0.00317759/step, 0.00882663 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4990000 4005.0465 20438.9856 14450.7713 245.9795 -203231.9415 2307.7914 0.0000 0.0000 51949.2178 -109834.1494 298.5529 -161783.3672 -109464.0967 298.2827 -271.0474 -247.5766 761057.8284 -1.6647 -1.9307 PRESSURE: 4990200 -54.8723 52.9482 64.071 52.9479 -488.433 -225.255 64.0718 -225.255 192.114 GPRESSURE: 4990200 -76.8477 -50.0673 -2.52354 14.1154 -393.103 -199.077 -29.851 -304.249 200.04 PRESSAVG: 4990200 -5.48302 -46.1352 12.3214 -46.1352 14.1255 -6.036 12.3215 -6.03601 -17.2872 GPRESSAVG: 4990200 -4.66075 -48.2797 13.666 -48.4092 13.9715 -7.21886 10.7916 -6.19352 -18.0874 TIMING: 4990200 CPU: 15864.9, 0.00317472/step Wall: 15864.9, 0.00317472/step, 0.0086423 hours remaining, 238.355469 MB of memory in use. ENERGY: 4990200 4006.0079 20583.4240 14442.7520 250.4101 -203455.0352 2629.1634 0.0000 0.0000 51666.8480 -109876.4298 296.9301 -161543.2778 -109520.6313 298.6265 -117.0637 -89.9700 760356.1639 -2.8816 -2.9255 PRESSURE: 4990400 87.9949 -28.8659 34.5612 -28.8664 -235.67 -173.479 34.5607 -173.479 -285.878 GPRESSURE: 4990400 124.706 -57.5067 59.4306 -38.1759 -193.488 -179.705 -136.764 -233.091 -287.468 PRESSAVG: 4990400 -17.0779 -23.216 -7.62893 -23.2159 12.5528 9.73343 -7.62888 9.73338 -5.95827 GPRESSAVG: 4990400 -17.5984 -22.8911 -9.32084 -22.9848 12.8031 11.2879 -6.61945 11.5618 -5.4687 TIMING: 4990400 CPU: 15865.5, 0.00317635/step Wall: 15865.5, 0.00317635/step, 0.00847028 hours remaining, 238.355469 MB of memory in use. ENERGY: 4990400 3923.4760 20421.8579 14425.4309 240.0951 -203524.6306 2439.3729 0.0000 0.0000 52403.7901 -109670.6078 301.1653 -162074.3978 -109297.9410 298.6258 -144.5177 -118.7498 760350.6391 -3.4945 -3.4213 PRESSURE: 4990600 124.976 152.84 47.5599 152.839 0.205147 127.372 47.5598 127.371 5.54869 GPRESSURE: 4990600 173.975 37.6014 -33.4901 -36.5348 9.74956 88.0953 178.268 -20.4526 27.0578 PRESSAVG: 4990600 -30.3013 -5.07683 -12.8743 -5.07687 10.1831 6.26287 -12.8742 6.26285 14.8562 GPRESSAVG: 4990600 -30.2946 -6.04059 -13.8347 -4.42939 7.99981 7.84587 -10.1877 5.14394 16.378 TIMING: 4990600 CPU: 15866.1, 0.00316179/step Wall: 15866.1, 0.00316179/step, 0.00825578 hours remaining, 238.355469 MB of memory in use. ENERGY: 4990600 3926.9321 20671.3935 14464.1093 252.6352 -203566.6055 2328.9588 0.0000 0.0000 52154.9918 -109767.5849 299.7355 -161922.5767 -109398.2069 299.1703 43.5768 70.2607 758031.6439 -1.7540 -1.9722 PRESSURE: 4990800 350.601 -76.333 48.0748 -76.3317 -125.344 260.336 48.0745 260.335 459.408 GPRESSURE: 4990800 313.007 0.846078 79.3089 -124.478 4.24765 205.474 28.6365 152.152 454.755 PRESSAVG: 4990800 21.584 -1.03249 12.235 -1.03246 0.254759 5.76554 12.2349 5.7656 22.7848 GPRESSAVG: 4990800 21.1707 -0.867491 12.5884 -0.440715 2.56738 4.49105 9.69776 6.23164 21.0365 TIMING: 4990800 CPU: 15866.8, 0.00317976/step Wall: 15866.8, 0.00317976/step, 0.00812605 hours remaining, 238.355469 MB of memory in use. ENERGY: 4990800 3962.4550 20531.1307 14448.5423 239.9969 -203679.9525 2639.8628 0.0000 0.0000 52228.9857 -109628.9791 300.1607 -161857.9648 -109257.2251 299.0417 228.2219 257.3368 758116.4713 14.8745 14.9249 PRESSURE: 4991000 261.901 -151.652 108.107 -151.653 -171.827 20.8807 108.107 20.8797 478.239 GPRESSURE: 4991000 388.137 2.95925 105.563 10.1536 -154.648 8.59893 111.471 -30.203 432.106 PRESSAVG: 4991000 -20.5459 -36.2178 -25.2264 -36.2178 -19.187 15.2781 -25.2264 15.2781 -19.3357 GPRESSAVG: 4991000 -21.6389 -37.2107 -24.3781 -33.8695 -19.1582 16.823 -22.9728 12.8116 -18.2736 TIMING: 4991000 CPU: 15867.4, 0.00317739/step Wall: 15867.4, 0.00317739/step, 0.00794348 hours remaining, 238.355469 MB of memory in use. ENERGY: 4991000 4055.9355 20651.5084 14403.6463 240.2090 -203340.7114 2578.3311 0.0000 0.0000 52008.8629 -109402.2183 298.8956 -161411.0812 -109049.4493 299.3377 189.4375 221.8649 758404.7796 -19.6896 -19.6902 PRESSURE: 4991200 159.059 37.3343 211.4 37.3342 103.765 37.5741 211.4 37.5751 -7.18673 GPRESSURE: 4991200 142.741 53.4801 189.172 37.9418 228.106 3.12994 241.808 94.1348 -18.1784 PRESSAVG: 4991200 -16.122 2.28852 -4.58293 2.28849 -1.37557 -13.3668 -4.58284 -13.3668 -0.255665 GPRESSAVG: 4991200 -15.6957 4.38869 -5.11608 2.04476 -1.26367 -13.4479 -6.04548 -10.9054 -0.829505 TIMING: 4991200 CPU: 15868, 0.00317907/step Wall: 15868, 0.00317907/step, 0.00777106 hours remaining, 238.355469 MB of memory in use. ENERGY: 4991200 3988.3379 20571.8353 14440.5542 245.2562 -203651.6439 2847.1479 0.0000 0.0000 52059.2444 -109499.2679 299.1852 -161558.5123 -109132.0425 299.1713 85.2125 117.5563 761338.6048 -5.9177 -5.9296 PRESSURE: 4991400 -227.54 -224.707 21.3538 -224.706 34.9663 59.2341 21.3533 59.2337 -214.659 GPRESSURE: 4991400 -138.698 -248.588 110.321 -137.122 -1.66118 196.61 -87.4469 -5.28863 -183.341 PRESSAVG: 4991400 9.80324 7.8564 11.0514 7.85643 -20.0198 -18.7656 11.0514 -18.7656 -10.8386 GPRESSAVG: 4991400 10.0937 5.72991 12.7766 5.56217 -19.8762 -19.8261 8.97005 -20.581 -11.3597 TIMING: 4991400 CPU: 15868.7, 0.00320638/step Wall: 15868.7, 0.00320638/step, 0.00765968 hours remaining, 238.355469 MB of memory in use. ENERGY: 4991400 3954.5765 20522.6939 14401.7536 248.3113 -203289.4501 2482.3095 0.0000 0.0000 52212.4754 -109467.3299 300.0658 -161679.8053 -109110.5457 299.2726 -135.7444 -107.9003 760659.1334 -7.0184 -7.0474 PRESSURE: 4991600 -409.682 21.8098 70.2988 21.8095 -368.105 -133.841 70.2993 -133.842 287.535 GPRESSURE: 4991600 -364.46 68.0848 141.246 -23.5474 -248.689 -22.0587 71.9125 -235.609 196.12 PRESSAVG: 4991600 -9.55909 -48.4449 19.3015 -48.4449 -13.4297 -37.3476 19.3016 -37.3476 4.82734 GPRESSAVG: 4991600 -9.03311 -45.9316 18.2199 -49.6626 -14.5364 -36.8145 21.1962 -36.2898 5.73082 TIMING: 4991600 CPU: 15869.3, 0.0032145/step Wall: 15869.3, 0.0032145/step, 0.00750049 hours remaining, 238.355469 MB of memory in use. ENERGY: 4991600 3960.2652 20583.9381 14481.9672 257.8712 -203382.4571 2523.1419 0.0000 0.0000 52012.4919 -109562.7816 298.9165 -161575.2735 -109203.1081 299.0435 -163.4176 -139.0096 761559.7504 -6.0538 -5.9462 PRESSURE: 4991800 253.448 -124.917 118.071 -124.917 91.879 153.184 118.071 153.184 218.108 GPRESSURE: 4991800 292.161 -223.074 125.8 -203.752 141.529 101.798 163.382 205.064 212.176 PRESSAVG: 4991800 30.3781 -67.7748 -23.5643 -67.7747 -32.9527 -54.2716 -23.5643 -54.2716 6.85384 GPRESSAVG: 4991800 29.0426 -69.4235 -21.8189 -70.0499 -32.7528 -55.1796 -23.6907 -53.3452 7.64929 TIMING: 4991800 CPU: 15870, 0.00321453/step Wall: 15870, 0.00321453/step, 0.00732198 hours remaining, 238.355469 MB of memory in use. ENERGY: 4991800 3976.0429 20630.6541 14427.8682 231.9075 -203504.3876 2512.9561 0.0000 0.0000 52052.7371 -109672.2216 299.1478 -161724.9587 -109315.1069 299.3632 187.8116 215.2888 759940.5931 1.4264 1.3130 PRESSURE: 4992000 46.8133 -68.7571 -75.6046 -68.7572 -49.753 -132.35 -75.6049 -132.348 134.923 GPRESSURE: 4992000 59.631 -7.48703 -82.7565 -97.7807 -21.0561 -124.763 -2.58292 -94.8783 187.548 PRESSAVG: 4992000 -79.368 -47.6111 -34.2317 -47.611 32.1959 38.4947 -34.2318 38.4947 -11.0379 GPRESSAVG: 4992000 -79.3879 -47.6243 -34.6992 -46.8623 32.769 37.2231 -33.9356 38.3875 -11.2537 TIMING: 4992000 CPU: 15870.6, 0.00319597/step Wall: 15870.6, 0.00319597/step, 0.00710215 hours remaining, 238.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4992000 3880.0221 20644.7755 14404.5089 252.7487 -203563.1949 2471.8077 0.0000 0.0000 51963.6688 -109945.6633 298.6359 -161909.3321 -109581.9481 298.7385 43.9943 75.3744 760384.1141 -19.4033 -19.2908 PRESSURE: 4992200 -12.7408 -138.86 11.8777 -138.86 96.114 -156 11.8783 -156 1.58428 GPRESSURE: 4992200 27.1362 88.3959 37.1427 -129.857 102.731 -53.9769 -60.9103 -137.511 35.8942 PRESSAVG: 4992200 -36.7061 6.97969 -6.54531 6.97972 4.24743 -20.5936 -6.54531 -20.5936 -14.2913 GPRESSAVG: 4992200 -36.4447 8.51966 -6.57848 8.9055 5.12506 -18.8146 -8.60514 -21.4673 -15.2242 TIMING: 4992200 CPU: 15871.2, 0.00319743/step Wall: 15871.2, 0.00319743/step, 0.00692777 hours remaining, 238.355469 MB of memory in use. ENERGY: 4992200 4054.9454 20549.7502 14423.0286 252.7661 -203526.9561 2256.9466 0.0000 0.0000 52014.9966 -109974.5225 298.9309 -161989.5191 -109616.2137 298.7327 28.3191 55.2537 757300.9615 -15.5833 -15.5146 LDB: ============= START OF LOAD BALANCING ============== 15883.6 LDB: ============== END OF LOAD BALANCING =============== 15883.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15883.6 LDB: ============= START OF LOAD BALANCING ============== 15884 LDB: Largest compute 7034 load 0.034627 is 17.7% of average load 0.195894 LDB: Average compute 0.004429 is 2.3% of average load 0.195894 LDB: TIME 15884 LOAD: AVG 0.195894 MAX 0.214107 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 15884 LOAD: AVG 0.195894 MAX 0.214107 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: TIME 15884 LOAD: AVG 0.195894 MAX 0.214107 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.617 MB LDB: ============== END OF LOAD BALANCING =============== 15884 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15884 PRESSURE: 4992400 -206.333 -102.515 -0.275746 -102.515 -135.4 206.954 -0.275429 206.953 -448.739 GPRESSURE: 4992400 -230.921 6.15263 -45.6572 -212.532 -75.3289 261.836 -11.2408 15.4102 -397.385 PRESSAVG: 4992400 -8.74789 0.596724 19.3702 0.59675 11.2991 -27.7586 19.3702 -27.7587 -4.58378 GPRESSAVG: 4992400 -8.28012 2.69694 20.4933 -0.808467 10.5244 -29.1009 19.9974 -27.972 -4.47483 TIMING: 4992400 CPU: 15871.9, 0.00326911/step Wall: 15871.9, 0.00326911/step, 0.00690146 hours remaining, 238.355469 MB of memory in use. ENERGY: 4992400 4014.3317 20355.1742 14407.8195 234.6282 -203109.5330 2043.9750 0.0000 0.0000 51938.0938 -110115.5106 298.4889 -162053.6044 -109756.4969 298.0346 -263.4903 -234.5448 759779.1136 -0.6775 -0.7435 PRESSURE: 4992600 4.31595 -18.3377 -74.6658 -18.3383 -148.357 44.3015 -74.6658 44.3025 124.156 GPRESSURE: 4992600 1.76322 -141.662 -169.869 -93.5426 -34.8133 -1.83583 -124.956 68.8592 105.764 PRESSAVG: 4992600 7.13571 6.22221 15.4877 6.22215 -9.95692 -2.79729 15.4876 -2.79729 14.7238 GPRESSAVG: 4992600 6.86285 3.26147 13.4145 4.99307 -10.3322 -2.15857 15.0318 -1.45223 15.0532 TIMING: 4992600 CPU: 15872.5, 0.00323178/step Wall: 15872.5, 0.00323178/step, 0.00664309 hours remaining, 238.558594 MB of memory in use. ENERGY: 4992600 4002.9029 20467.6103 14418.3731 237.5541 -203440.6033 2418.6709 0.0000 0.0000 51932.7655 -109962.7265 298.4583 -161895.4920 -109602.5839 297.9461 -6.6281 24.2380 760658.2714 3.9675 3.8613 PRESSURE: 4992800 -183.374 78.4687 165.801 78.4683 -251.932 230.742 165.8 230.742 162.58 GPRESSURE: 4992800 -159.053 53.1149 145.315 20.3215 -165.607 156.62 205.967 202.587 148.505 PRESSAVG: 4992800 -14.4192 -50.9833 23.7856 -50.9833 -21.0215 9.50245 23.7856 9.50244 -7.75963 GPRESSAVG: 4992800 -13.524 -50.046 24.5941 -49.5807 -20.9384 8.19658 25.4456 8.59984 -8.74091 TIMING: 4992800 CPU: 15873.2, 0.00319437/step Wall: 15873.2, 0.00319436/step, 0.00638873 hours remaining, 238.558594 MB of memory in use. ENERGY: 4992800 4012.6784 20515.2604 14399.0860 237.1348 -203378.9358 2457.2494 0.0000 0.0000 52050.5069 -109707.0200 299.1350 -161757.5269 -109335.2434 298.8331 -90.9086 -58.7187 760425.2187 -14.4001 -14.4011 PRESSURE: 4993000 -313.554 65.4583 -73.7004 65.4585 153.595 -103.862 -73.7002 -103.861 387.982 GPRESSURE: 4993000 -266.108 80.5254 -25.7611 125.87 142.356 -182.051 -102.885 -102.398 425.275 PRESSAVG: 4993000 7.7435 4.99771 -32.2461 4.99765 12.7763 26.3818 -32.2461 26.3818 -2.68189 GPRESSAVG: 4993000 6.01416 3.18668 -32.7765 6.0881 13.0669 26.6392 -32.6703 25.0894 -1.04607 TIMING: 4993000 CPU: 15873.8, 0.00318257/step Wall: 15873.8, 0.00318257/step, 0.00618834 hours remaining, 238.558594 MB of memory in use. ENERGY: 4993000 3902.8238 20586.8824 14415.3038 248.4734 -203497.6064 2316.6195 0.0000 0.0000 52238.9877 -109788.5157 300.2182 -162027.5034 -109417.8392 298.9801 76.0078 100.5076 760454.7339 5.9460 6.0116 PRESSURE: 4993200 -147.489 193.77 -195.957 193.77 60.1547 259.979 -195.956 259.979 -190.344 GPRESSURE: 4993200 -96.5443 234.838 -246.621 305.73 35.9599 293.64 -197.124 226.09 -133.07 PRESSAVG: 4993200 -40.551 -18.8096 -47.2993 -18.8096 37.6196 37.9226 -47.2993 37.9226 -5.1062 GPRESSAVG: 4993200 -38.4613 -17.0297 -46.9631 -20.6591 36.8228 39.0685 -44.794 38.2396 -6.22649 TIMING: 4993200 CPU: 15874.5, 0.00320157/step Wall: 15874.5, 0.00320157/step, 0.0060474 hours remaining, 238.558594 MB of memory in use. ENERGY: 4993200 3943.6529 20405.0917 14371.7318 239.3569 -203080.8933 2184.7158 0.0000 0.0000 51967.3059 -109969.0384 298.6568 -161936.3443 -109605.6468 298.3961 -92.5594 -64.5514 761159.7517 -2.6792 -2.6217 PRESSURE: 4993400 110.795 71.2477 -121.287 71.2476 -21.1653 -366.408 -121.288 -366.409 30.3026 GPRESSURE: 4993400 197.05 35.6017 -133.869 115.839 -46.4001 -400.162 -130.433 -320.406 69.4646 PRESSAVG: 4993400 26.7407 16.9127 -4.76822 16.9127 36.2947 -45.5667 -4.76819 -45.5668 -7.93992 GPRESSAVG: 4993400 24.8136 16.2672 -4.82158 20.8991 37.3162 -45.8648 -6.70089 -42.8034 -7.20571 TIMING: 4993400 CPU: 15875.1, 0.0031823/step Wall: 15875.1, 0.0031823/step, 0.00583421 hours remaining, 238.558594 MB of memory in use. ENERGY: 4993400 3929.3422 20496.3454 14418.5727 245.7335 -203362.1566 2531.2473 0.0000 0.0000 51834.2525 -109906.6629 297.8922 -161740.9154 -109541.6324 298.6453 39.9773 73.3716 759856.8295 18.3652 18.3080 PRESSURE: 4993600 3.44833 26.7654 -113.925 26.7658 -27.6972 4.40916 -113.925 4.41018 -261.091 GPRESSURE: 4993600 10.9351 183.933 -101.95 -14.9022 44.1463 0.971915 -179.493 -54.6163 -248.137 PRESSAVG: 4993600 -15.356 -45.2041 -23.4023 -45.2041 20.4941 -27.8631 -23.4023 -27.8632 3.88697 GPRESSAVG: 4993600 -14.8887 -44.9008 -22.9363 -47.7033 20.9599 -29.3512 -23.5176 -28.9303 2.98632 TIMING: 4993600 CPU: 15875.7, 0.00320742/step Wall: 15875.7, 0.00320742/step, 0.00570208 hours remaining, 238.558594 MB of memory in use. ENERGY: 4993600 4013.2542 20468.4612 14441.3136 237.7046 -203311.8384 2647.3556 0.0000 0.0000 51657.7568 -109845.9925 296.8778 -161503.7492 -109492.7955 298.6678 -95.1133 -64.3519 760003.2759 3.0084 3.0192 PRESSURE: 4993800 170.97 65.0053 200.584 65.006 188.035 -245.494 200.585 -245.493 174.613 GPRESSURE: 4993800 289.061 108.228 102.121 43.9981 168.413 -229.028 170.916 -237.408 168.844 PRESSAVG: 4993800 -15.9991 21.4839 60.597 21.4838 12.5617 -7.2345 60.597 -7.23443 0.0374805 GPRESSAVG: 4993800 -14.5966 20.4433 61.065 22.3148 12.3119 -4.84915 58.9851 -7.91349 -1.02823 TIMING: 4993800 CPU: 15876.4, 0.00318774/step Wall: 15876.4, 0.00318774/step, 0.00548999 hours remaining, 238.558594 MB of memory in use. ENERGY: 4993800 3951.4229 20645.1630 14469.1226 244.0523 -204254.6307 2839.1299 0.0000 0.0000 52184.0162 -109921.7239 299.9023 -162105.7400 -109553.8507 298.8114 177.8727 208.7726 759064.9071 -1.1333 -1.1043 PRESSURE: 4994000 -139.656 -79.1908 -299.372 -79.1914 126.908 -27.5201 -299.372 -27.5205 -300.484 GPRESSURE: 4994000 -47.8236 -137.527 -318.985 -88.4136 169.028 -13.2572 -308.398 34.1194 -346.118 PRESSAVG: 4994000 -7.54741 -61.751 20.9323 -61.751 -15.4864 -14.4322 20.9323 -14.4322 1.39089 GPRESSAVG: 4994000 -8.88259 -60.2649 20.4934 -64.6419 -15.2294 -17.3591 21.5912 -12.6835 2.5932 TIMING: 4994000 CPU: 15877, 0.00320171/step Wall: 15877, 0.00320171/step, 0.00533618 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4994000 4001.7983 20517.5907 14416.7212 254.0272 -203566.3439 2644.5469 0.0000 0.0000 52063.8634 -109667.7961 299.2117 -161731.6595 -109303.2618 298.5917 -104.4109 -74.9710 762363.9905 -7.2143 -7.1729 PRESSURE: 4994200 -46.258 -267.452 -35.9597 -267.452 146.547 -275.059 -35.961 -275.06 149.892 GPRESSURE: 4994200 87.487 -178.203 28.2732 -234.88 167.072 -230.539 -95.5853 -201.699 63.7559 PRESSAVG: 4994200 25.6218 -64.2746 36.63 -64.2746 -28.1161 4.57482 36.63 4.57488 10.5136 GPRESSAVG: 4994200 26.6171 -66.1546 35.9283 -63.0746 -28.8959 6.23937 38.3231 2.57466 9.75762 TIMING: 4994200 CPU: 15877.7, 0.00322697/step Wall: 15877.7, 0.00322697/step, 0.00519901 hours remaining, 238.558594 MB of memory in use. ENERGY: 4994200 3958.7055 20644.6139 14437.5799 269.4307 -203255.7900 2602.9356 0.0000 0.0000 51733.6351 -109608.8894 297.3139 -161342.5245 -109245.5421 298.7995 83.3935 106.1048 762265.2732 2.6731 2.4929 PRESSURE: 4994400 52.946 -83.6043 -21.7917 -83.6041 -174.871 -65.3315 -21.7914 -65.3304 -460.105 GPRESSURE: 4994400 75.7808 -45.1054 -24.5244 -119.105 -163.053 11.7518 0.897965 -81.2982 -411.273 PRESSAVG: 4994400 1.41104 -59.0284 -32.8939 -59.0283 -34.8528 13.6849 -32.8939 13.6849 1.25901 GPRESSAVG: 4994400 1.04879 -58.7845 -32.6818 -59.1037 -33.0757 15.4752 -32.3486 15.0472 0.251753 TIMING: 4994400 CPU: 15878.3, 0.00321038/step Wall: 15878.3, 0.00321038/step, 0.00499392 hours remaining, 238.558594 MB of memory in use. ENERGY: 4994400 4069.0365 20570.1111 14489.3930 244.7715 -203405.7766 2604.9317 0.0000 0.0000 51678.7776 -109748.7551 296.9986 -161427.5327 -109387.1987 298.6232 -194.0100 -166.1817 760955.9900 -10.7276 -10.5917 PRESSURE: 4994600 -8.94022 -239.984 111.043 -239.984 490.412 73.5361 111.043 73.5363 31.2952 GPRESSURE: 4994600 31.9275 -161.529 66.6162 -186.73 452.376 30.7069 -22.4451 -25.5185 106.589 PRESSAVG: 4994600 -22.5218 -27.5719 -49.0508 -27.5719 33.9575 -24.161 -49.0508 -24.161 -16.3447 GPRESSAVG: 4994600 -22.6148 -26.9836 -50.178 -27.6072 32.6057 -27.2042 -48.7191 -23.2502 -15.5648 TIMING: 4994600 CPU: 15878.9, 0.00319329/step Wall: 15878.9, 0.00319329/step, 0.00478994 hours remaining, 238.558594 MB of memory in use. ENERGY: 4994600 3925.8877 20536.9814 14437.3097 244.7019 -203731.9656 2785.7471 0.0000 0.0000 51891.9574 -109909.3805 298.2238 -161801.3379 -109555.6532 298.2928 170.9224 196.9639 758393.3095 -1.6363 -1.8580 PRESSURE: 4994800 158.25 -152.34 -81.4536 -152.34 -420.824 73.9771 -81.4535 73.9758 149.559 GPRESSURE: 4994800 241.187 -178.451 -58.3292 -94.2472 -430.711 91.5414 54.3716 44.8302 155.001 PRESSAVG: 4994800 61.0462 -37.3062 -16.8086 -37.3063 -27.1427 5.56513 -16.8087 5.56515 -3.13508 GPRESSAVG: 4994800 60.8945 -35.6297 -14.3516 -35.542 -27.3314 7.294 -18.0251 6.88354 -3.01799 TIMING: 4994800 CPU: 15879.6, 0.00317385/step Wall: 15879.6, 0.00317385/step, 0.00458445 hours remaining, 238.558594 MB of memory in use. ENERGY: 4994800 3946.1680 20607.2420 14411.7412 241.4360 -203417.0321 2493.7633 0.0000 0.0000 51891.2346 -109825.4470 298.2196 -161716.6816 -109460.0592 298.6139 -37.6716 -11.5076 759088.7422 10.2561 10.1817 PRESSURE: 4995000 54.4032 -67.4928 86.3039 -67.4934 102.679 -52.5934 86.3039 -52.5927 -184.858 GPRESSURE: 4995000 25.6267 54.0557 177.829 -180.84 118.545 -57.3334 -74.2646 -56.3874 -81.6968 PRESSAVG: 4995000 -7.1249 -34.1695 16.7022 -34.1695 17.2108 10.2939 16.7022 10.2939 -21.051 GPRESSAVG: 4995000 -7.39533 -37.2044 16.1678 -34.6293 17.3577 8.52981 16.9555 8.52743 -20.7914 TIMING: 4995000 CPU: 15880.2, 0.00318661/step Wall: 15880.2, 0.00318661/step, 0.00442585 hours remaining, 238.558594 MB of memory in use. ENERGY: 4995000 3959.4155 20391.8914 14403.8435 256.1627 -202891.7800 2271.1552 0.0000 0.0000 52018.2065 -109591.1053 298.9493 -161609.3118 -109235.1783 298.9986 -9.2587 20.8249 760840.7173 -3.6550 -3.6097 PRESSURE: 4995200 -10.8908 62.5975 -48.2921 62.597 422.387 101.945 -48.2922 101.946 -395.3 GPRESSURE: 4995200 3.65647 43.7364 19.4184 163.882 408.204 89.522 -94.2137 252.723 -316.414 PRESSAVG: 4995200 -5.97578 -5.31957 54.1604 -5.31961 16.6045 8.10312 54.1604 8.10309 8.41811 GPRESSAVG: 4995200 -5.40456 -3.85591 54.1102 -5.77808 16.5093 8.40761 54.0083 7.35476 7.80262 TIMING: 4995200 CPU: 15880.8, 0.0031955/step Wall: 15880.8, 0.0031955/step, 0.00426067 hours remaining, 238.558594 MB of memory in use. ENERGY: 4995200 3976.8439 20330.9389 14439.7171 229.6025 -203415.5099 2690.5502 0.0000 0.0000 52213.4526 -109534.4048 300.0714 -161747.8574 -109156.5545 298.8137 5.3984 31.8157 761307.5328 6.3489 6.3025 PRESSURE: 4995400 343.408 -54.7689 238.716 -54.7697 116.676 83.0773 238.716 83.077 382.789 GPRESSURE: 4995400 436.814 20.0284 211.335 23.6583 108.749 76.1846 248.193 84.214 376.882 PRESSAVG: 4995400 -30.8626 -21.5077 7.24066 -21.5077 -9.83598 -12.9296 7.24066 -12.9296 7.49503 GPRESSAVG: 4995400 -30.2507 -20.8947 5.5067 -21.5889 -10.494 -12.6368 5.62316 -13.0442 7.16614 TIMING: 4995400 CPU: 15881.5, 0.00316359/step Wall: 15881.5, 0.00316359/step, 0.00404236 hours remaining, 238.558594 MB of memory in use. ENERGY: 4995400 4034.2741 20428.9723 14403.3126 241.0153 -203581.2664 2962.1607 0.0000 0.0000 52175.8774 -109335.6541 299.8555 -161511.5315 -108973.4544 299.5266 280.9577 307.4815 762043.0354 -11.0678 -11.1929 PRESSURE: 4995600 -115.664 -113.062 -233.696 -113.062 7.08094 122.384 -233.696 122.384 -119.366 GPRESSURE: 4995600 -17.2004 -2.37079 -259.056 -9.74021 32.5547 69.655 -242.717 180.082 -138.79 PRESSAVG: 4995600 -21.8494 -44.892 -4.83345 -44.8919 43.2512 50.7339 -4.8334 50.7338 -2.0993 GPRESSAVG: 4995600 -21.7733 -44.1157 -1.79127 -43.6577 41.9033 51.1739 -4.383 51.8158 -1.43566 TIMING: 4995600 CPU: 15882.1, 0.00319535/step Wall: 15882.1, 0.00319535/step, 0.00390543 hours remaining, 238.558594 MB of memory in use. ENERGY: 4995600 4023.0686 20521.1081 14461.6027 217.3960 -203243.5352 2622.3765 0.0000 0.0000 52098.6142 -109299.3691 299.4115 -161397.9833 -108945.0737 299.5927 -75.9831 -41.1453 762647.2227 6.4342 6.2315 PRESSURE: 4995800 -343.307 -41.6479 -55.9439 -41.6476 -61.894 16.2728 -55.9438 16.2733 -296.108 GPRESSURE: 4995800 -219.252 -96.9131 -63.9867 52.3036 -140.48 8.84686 8.97569 -40.0951 -270.281 PRESSAVG: 4995800 45.9933 -58.0556 -13.8373 -58.0555 -44.3389 70.2044 -13.8373 70.2045 -5.53398 GPRESSAVG: 4995800 44.6973 -59.8655 -16.1223 -58.665 -43.5296 70.6449 -13.5265 69.5732 -5.24969 TIMING: 4995800 CPU: 15882.8, 0.00319302/step Wall: 15882.8, 0.00319302/step, 0.00372519 hours remaining, 238.558594 MB of memory in use. ENERGY: 4995800 4006.3664 20585.6382 14417.9113 242.3904 -202651.7678 2311.5471 0.0000 0.0000 51860.4292 -109227.4851 298.0426 -161087.9143 -108868.5857 299.3392 -233.7694 -210.0044 761921.7842 -1.2932 -1.3607 PRESSURE: 4996000 -81.0888 -162.563 -45.2303 -162.563 -345.121 27.3924 -45.2305 27.3933 -30.4751 GPRESSURE: 4996000 -146.333 -344.659 0.445982 -133.298 -258.281 36.6028 -64.2862 38.2269 22.9522 PRESSAVG: 4996000 26.58 -66.5374 -47.3979 -66.5374 -35.3798 11.3985 -47.3979 11.3986 -4.30415 GPRESSAVG: 4996000 26.6693 -66.1024 -48.0772 -67.0554 -34.348 11.6073 -46.3495 7.69571 -5.63268 TIMING: 4996000 CPU: 15883.4, 0.00318139/step Wall: 15883.4, 0.00318139/step, 0.00353488 hours remaining, 238.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4996000 3962.2324 20551.3575 14553.8326 247.3667 -203138.0977 2444.2684 0.0000 0.0000 52158.7780 -109220.2620 299.7572 -161379.0401 -108854.3812 299.7982 -152.2284 -127.2207 760685.1751 -4.3680 -4.4371 PRESSURE: 4996200 150.197 132.243 -61.9265 132.243 -27.8815 -17.6268 -61.9256 -17.626 154.297 GPRESSURE: 4996200 159.078 118.25 -114.077 -27.8751 63.495 21.2759 34.1747 80.4988 139.466 PRESSAVG: 4996200 17.8361 -66.3489 12.4715 -66.3489 -19.7794 -53.2526 12.4715 -53.2526 7.04325 GPRESSAVG: 4996200 17.7323 -67.34 13.9598 -66.5745 -19.3065 -55.415 11.6627 -48.6416 6.95279 TIMING: 4996200 CPU: 15884, 0.00317228/step Wall: 15884, 0.00317228/step, 0.00334852 hours remaining, 238.558594 MB of memory in use. ENERGY: 4996200 3982.2576 20487.2370 14436.4392 231.8945 -202624.7624 2391.4019 0.0000 0.0000 51963.1820 -109132.3502 298.6331 -161095.5321 -108770.3447 300.2306 92.2043 120.6794 761509.1910 1.7000 1.7929 LDB: ============= START OF LOAD BALANCING ============== 15896.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15896.4 LDB: =============== DONE WITH MIGRATION ================ 15896.4 LDB: ============= START OF LOAD BALANCING ============== 15896.8 LDB: Largest compute 7033 load 0.036528 is 18.6% of average load 0.195942 LDB: Average compute 0.004424 is 2.3% of average load 0.195942 LDB: TIME 15896.8 LOAD: AVG 0.195942 MAX 0.214907 PROXIES: TOTAL 1230 MAXPE 13 MAXPATCH 8 None MEM: 239.387 MB LDB: TIME 15896.8 LOAD: AVG 0.195942 MAX 0.214907 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 15896.8 LOAD: AVG 0.195942 MAX 0.214907 PROXIES: TOTAL 1231 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 15896.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15896.8 PRESSURE: 4996400 -175.249 33.2574 126.91 33.2573 -159.389 -152.309 126.91 -152.309 -202.218 GPRESSURE: 4996400 -69.6979 78.2042 46.1542 127.265 -196.417 -117.215 145.292 -213.536 -186.444 PRESSAVG: 4996400 -9.6655 -16.502 3.2853 -16.502 0.850611 10.6502 3.28531 10.6502 -11.6117 GPRESSAVG: 4996400 -9.37013 -16.2001 4.18061 -14.6618 -0.614822 11.1556 1.52023 10.9027 -10.8235 TIMING: 4996400 CPU: 15884.7, 0.0032594/step Wall: 15884.7, 0.0032594/step, 0.0032594 hours remaining, 237.843750 MB of memory in use. ENERGY: 4996400 4038.3984 20617.0938 14467.2034 220.8643 -202882.2144 2323.6586 0.0000 0.0000 52101.3672 -109113.6287 299.4273 -161214.9958 -108760.7482 300.1320 -178.9519 -150.8530 760224.0955 -6.8089 -6.9361 PRESSURE: 4996600 -354.814 -1.53501 -2.53941 -1.53589 297.453 -49.9014 -2.53823 -49.9013 220.895 GPRESSURE: 4996600 -295.78 -87.2811 -49.6177 -162.605 301.444 -216.409 136.44 -43.4783 245.811 PRESSAVG: 4996600 -22.1461 -20.2779 -9.40085 -20.2779 -3.05089 -22.439 -9.40082 -22.4389 9.01984 GPRESSAVG: 4996600 -22.8974 -20.913 -10.3012 -22.1753 -2.61431 -23.1421 -7.59359 -25.5169 9.37988 TIMING: 4996600 CPU: 15885.3, 0.00317844/step Wall: 15885.3, 0.00317844/step, 0.00300186 hours remaining, 237.843750 MB of memory in use. ENERGY: 4996600 4004.6653 20478.9940 14394.4078 256.3336 -203275.5768 2516.5500 0.0000 0.0000 52430.9682 -109193.6580 301.3215 -161624.6261 -108834.4196 300.2667 54.5114 83.8247 759250.0227 -5.3924 -5.3773 PRESSURE: 4996800 -16.4545 13.6193 -383.781 13.6193 240.627 74.5199 -383.781 74.5203 36.3918 GPRESSURE: 4996800 -1.07256 117.993 -381.874 24.8372 229.005 106.499 -355.367 131.253 91.7373 PRESSAVG: 4996800 -55.0199 -40.3589 6.08498 -40.3589 64.2839 -15.165 6.08501 -15.1649 5.21664 GPRESSAVG: 4996800 -52.9032 -37.6291 6.11532 -40.6704 62.397 -13.5651 6.13507 -14.9303 5.2282 TIMING: 4996800 CPU: 15886, 0.00319327/step Wall: 15886, 0.00319327/step, 0.00283846 hours remaining, 237.843750 MB of memory in use. ENERGY: 4996800 3970.1702 20614.0201 14374.4792 253.2790 -203329.2923 2739.3552 0.0000 0.0000 52044.6263 -109333.3623 299.1012 -161377.9886 -108971.2855 299.7268 86.8549 106.5564 760705.3752 4.8269 4.9074 PRESSURE: 4997000 -271.489 -245.882 21.5067 -245.881 -154.053 196.252 21.506 196.252 63.3887 GPRESSURE: 4997000 -273.675 -157.82 11.8942 -73.4797 -35.2961 253.914 29.0929 127.741 36.7957 PRESSAVG: 4997000 -61.2591 12.4552 -1.58117 12.4552 9.53112 13.3741 -1.58114 13.3741 19.8763 GPRESSAVG: 4997000 -63.334 11.0575 -3.60703 15.5046 12.1204 12.4565 0.605687 13.9154 19.0105 TIMING: 4997000 CPU: 15886.6, 0.00320876/step Wall: 15886.6, 0.00320876/step, 0.00267397 hours remaining, 237.843750 MB of memory in use. ENERGY: 4997000 4002.1085 20561.9825 14518.7538 266.7254 -203189.2797 2400.3873 0.0000 0.0000 51960.3962 -109478.9260 298.6171 -161439.3222 -109117.7314 299.3005 -120.7175 -90.7253 761926.4898 -10.6172 -10.7344 PRESSURE: 4997200 341.373 112.586 124.492 112.586 -95.0443 -23.8936 124.492 -23.8931 -180.38 GPRESSURE: 4997200 397.28 50.5515 8.55984 133.332 -80.4098 3.84188 203.768 -62.6701 -168.154 PRESSAVG: 4997200 -7.15431 -22.6563 -6.94281 -22.6564 7.15646 -23.2121 -6.94282 -23.2122 1.312 GPRESSAVG: 4997200 -7.01425 -20.8766 -4.65881 -26.9489 6.30512 -22.3405 -8.75456 -22.6215 1.44452 TIMING: 4997200 CPU: 15887.2, 0.00319212/step Wall: 15887.2, 0.00319212/step, 0.00248276 hours remaining, 237.843750 MB of memory in use. ENERGY: 4997200 3939.7741 20472.5609 14466.8243 239.4976 -203338.5069 2679.3925 0.0000 0.0000 51931.4969 -109608.9607 298.4510 -161540.4576 -109239.1066 299.0109 21.9830 49.5721 760355.9385 0.4381 0.2451 PRESSURE: 4997400 -159.823 -154.747 202.203 -154.746 -26.2984 119.025 202.204 119.024 521.713 GPRESSURE: 4997400 -63.9195 -252.731 270.775 7.36935 26.5459 118.061 37.8259 79.5747 476.769 PRESSAVG: 4997400 22.9322 22.9786 13.5913 22.9786 -4.44246 2.06605 13.5913 2.06616 -0.456189 GPRESSAVG: 4997400 23.4212 20.6385 13.8794 25.4914 -4.38597 3.64406 11.8665 1.22915 -0.565377 TIMING: 4997400 CPU: 15887.9, 0.00318656/step Wall: 15887.9, 0.00318656/step, 0.00230141 hours remaining, 237.843750 MB of memory in use. ENERGY: 4997400 4058.2385 20568.5230 14373.7928 243.3883 -203459.8549 2593.1740 0.0000 0.0000 52056.3821 -109566.3563 299.1687 -161622.7384 -109205.2527 299.2536 111.8639 146.4652 759845.1967 6.0112 6.1566 PRESSURE: 4997600 -216.735 -50.9056 -305.469 -50.9053 36.7877 54.7285 -305.469 54.7306 124.519 GPRESSURE: 4997600 -292.447 -32.6056 -282.401 -35.9531 149.318 -53.3741 -199.224 -59.1602 150.189 PRESSAVG: 4997600 26.6883 -29.6595 10.3898 -29.6595 30.9276 -19.1749 10.3897 -19.1749 -15.5925 GPRESSAVG: 4997600 26.6259 -28.8318 8.87783 -28.0667 30.5405 -20.0998 11.8506 -17.9947 -15.8127 TIMING: 4997600 CPU: 15888.5, 0.00317711/step Wall: 15888.5, 0.00317711/step, 0.00211807 hours remaining, 237.843750 MB of memory in use. ENERGY: 4997600 3938.6204 20576.4036 14416.1162 251.6530 -203545.4126 2731.6761 0.0000 0.0000 52063.2097 -109567.7338 299.2080 -161630.9434 -109204.3905 299.7561 -18.4762 2.3530 760916.3517 14.0078 13.7846 PRESSURE: 4997800 132.953 -135.844 -33.0399 -135.843 -29.8898 254.789 -33.0398 254.788 -116.82 GPRESSURE: 4997800 165.041 -196.753 -16.9448 -218.811 42.5906 179.214 -12.6949 148.092 -132.251 PRESSAVG: 4997800 -45.1955 12.4471 -30.0921 12.4471 24.4609 35.6941 -30.0921 35.6942 0.14249 GPRESSAVG: 4997800 -45.8131 12.7319 -29.964 11.0281 24.4179 35.5907 -30.3506 35.0694 1.16507 TIMING: 4997800 CPU: 15889.1, 0.00317778/step Wall: 15889.1, 0.00317778/step, 0.00194198 hours remaining, 237.843750 MB of memory in use. ENERGY: 4997800 3956.8960 20630.8693 14412.4813 255.5562 -203647.8001 2654.8459 0.0000 0.0000 52227.0582 -109510.0932 300.1496 -161737.1514 -109148.6634 299.3026 -4.5856 25.1268 760221.1687 -6.8640 -6.7434 PRESSURE: 4998000 -35.054 234.817 -54.8866 234.816 -177.264 73.4205 -54.887 73.4218 50.298 GPRESSURE: 4998000 -42.3382 158.84 -71.1995 169.598 -114.392 94.9699 129.88 84.2913 61.6349 PRESSAVG: 4998000 54.836 25.2142 11.2181 25.2142 -28.4053 34.9162 11.218 34.9161 3.45133 GPRESSAVG: 4998000 55.1745 24.6895 10.5137 24.9432 -28.1235 34.9851 12.528 36.1531 2.61753 TIMING: 4998000 CPU: 15889.8, 0.00320103/step Wall: 15889.8, 0.00320103/step, 0.00177835 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4998000 4011.3303 20487.8920 14485.9725 249.0819 -203474.4782 2441.3834 0.0000 0.0000 52193.6941 -109605.1240 299.9579 -161798.8182 -109247.6764 299.3737 -54.0068 -31.6984 761947.2590 9.9607 9.8895 PRESSURE: 4998200 -76.9492 33.3127 -70.1987 33.3129 -365.459 154.37 -70.1977 154.37 -218.178 GPRESSURE: 4998200 -9.6601 -12.815 -100.582 43.9674 -381.6 165.296 -83.9267 104.486 -174.945 PRESSAVG: 4998200 -18.8654 44.0453 -25.512 44.0453 -6.62788 53.9037 -25.5121 53.9037 -5.22482 GPRESSAVG: 4998200 -19.122 44.8273 -25.0674 43.2036 -7.3615 54.1224 -23.792 54.2783 -4.17378 TIMING: 4998200 CPU: 15890.4, 0.00319102/step Wall: 15890.4, 0.00319102/step, 0.00159551 hours remaining, 237.843750 MB of memory in use. ENERGY: 4998200 3994.4598 20348.8107 14523.0142 255.8919 -203181.9183 2176.1213 0.0000 0.0000 52226.8297 -109656.7906 300.1483 -161883.6203 -109281.7578 298.9147 -220.1957 -188.7351 762929.5670 -10.2394 -10.2191 PRESSURE: 4998400 -599.655 43.7213 323.65 43.7215 151.651 12.1183 323.649 12.118 -343.999 GPRESSURE: 4998400 -459.139 1.86477 356.765 112.466 158.084 0.917353 211.385 -19.5481 -402.362 PRESSAVG: 4998400 -2.2408 18.1411 4.23868 18.1411 15.6389 4.64333 4.2387 4.64324 -3.3191 GPRESSAVG: 4998400 -2.41553 18.1053 4.81729 18.1973 16.8921 5.02466 0.226617 2.65653 -3.88365 TIMING: 4998400 CPU: 15891.1, 0.0032266/step Wall: 15891.1, 0.0032266/step, 0.00143404 hours remaining, 237.843750 MB of memory in use. ENERGY: 4998400 3908.8678 20474.9301 14500.7860 243.0309 -203618.4033 2353.4076 0.0000 0.0000 52436.6739 -109700.7070 301.3543 -162137.3809 -109325.3617 299.3175 -264.0009 -234.4725 759397.0819 3.3597 3.5310 PRESSURE: 4998600 35.5278 -62.7287 246.699 -62.7282 -138.519 -5.55898 246.7 -5.55841 49.1298 GPRESSURE: 4998600 45.2013 -72.9637 269.855 -96.0558 -100.494 -14.4489 272.479 -26.9273 97.1297 PRESSAVG: 4998600 0.779509 55.1158 16.4411 55.1157 -4.39457 27.6339 16.4411 27.634 -5.61436 GPRESSAVG: 4998600 2.06607 53.7588 16.8704 56.0275 -5.24389 27.3088 16.2575 27.3871 -6.31005 TIMING: 4998600 CPU: 15891.7, 0.00320883/step Wall: 15891.7, 0.00320883/step, 0.00124788 hours remaining, 237.843750 MB of memory in use. ENERGY: 4998600 3986.0099 20551.1860 14531.8731 271.6758 -203351.9484 2389.1816 0.0000 0.0000 52006.3054 -109615.7166 298.8810 -161622.0220 -109247.3707 299.0880 -17.9537 13.9455 760901.8229 -3.0765 -3.1626 PRESSURE: 4998800 -260.53 90.5609 -308.146 90.5609 -187.77 1.99004 -308.146 1.9905 -79.6427 GPRESSURE: 4998800 -218.115 270.01 -252.031 -7.2027 -201.463 3.80487 -275.098 -60.2253 -36.1139 PRESSAVG: 4998800 -4.69965 24.5794 -65.6458 24.5794 28.6998 10.6473 -65.6458 10.6473 26.0881 GPRESSAVG: 4998800 -5.11382 24.2368 -66.2226 23.5247 28.9244 11.0823 -63.1779 11.9757 26.5291 TIMING: 4998800 CPU: 15892.4, 0.00322222/step Wall: 15892.4, 0.00322222/step, 0.00107407 hours remaining, 237.843750 MB of memory in use. ENERGY: 4998800 4023.0890 20583.4562 14400.9609 260.6905 -203354.6606 2501.7736 0.0000 0.0000 51822.7709 -109761.9194 297.8262 -161584.6903 -109396.4343 299.3549 -175.9811 -151.8970 761122.5729 16.6961 16.7799 PRESSURE: 4999000 -304.036 -7.1473 98.4808 -7.14632 -194.789 95.9687 98.4808 95.9696 183.115 GPRESSURE: 4999000 -259.396 67.1618 151.369 -75.4502 -60.5037 7.34205 -5.11276 206.973 76.526 PRESSAVG: 4999000 -48.7116 -23.028 -43.7699 -23.028 75.2286 47.8354 -43.7699 47.8354 3.63077 GPRESSAVG: 4999000 -48.9195 -23.2035 -41.9019 -23.2714 76.2956 46.6578 -47.1799 48.2263 2.85825 TIMING: 4999000 CPU: 15893, 0.00321302/step Wall: 15893, 0.00321302/step, 0.000892504 hours remaining, 237.843750 MB of memory in use. ENERGY: 4999000 3984.8372 20565.0286 14435.0742 234.1593 -203800.7253 2454.0285 0.0000 0.0000 52152.8362 -109974.7613 299.7231 -162127.5976 -109616.3290 298.9022 -105.2368 -81.1245 760235.0939 10.0492 10.0781 PRESSURE: 4999200 -252.212 -334.047 -76.494 -334.047 -2.37088 -126.79 -76.4935 -126.79 -325.176 GPRESSURE: 4999200 -268.864 -257.34 -116.289 -166.002 17.7644 -45.1346 -64.9887 -152.071 -248.557 PRESSAVG: 4999200 -48.2453 6.34382 -29.7442 6.34381 18.4892 -6.83866 -29.7441 -6.83859 7.46724 GPRESSAVG: 4999200 -47.8052 6.77847 -31.9368 9.18118 17.9966 -6.48793 -28.4139 -6.24683 8.01878 TIMING: 4999200 CPU: 15893.6, 0.00318733/step Wall: 15893.6, 0.00318733/step, 0.000708296 hours remaining, 237.843750 MB of memory in use. ENERGY: 4999200 3975.7114 20470.9448 14335.3699 249.6520 -203905.9473 2750.0315 0.0000 0.0000 52187.7764 -109936.4613 299.9239 -162124.2377 -109564.0498 298.6955 -193.2529 -166.5524 761009.6746 -7.4296 -7.2633 PRESSURE: 4999400 -196.465 -178.803 -30.5357 -178.803 -122.342 134.695 -30.5361 134.695 5.68245 GPRESSURE: 4999400 -176.246 -188.855 -27.454 -160.703 -65.767 195.369 -98.2476 96.6269 25.2235 PRESSAVG: 4999400 24.0142 -67.851 -14.1601 -67.851 -14.2305 -7.66646 -14.16 -7.66645 -16.6198 GPRESSAVG: 4999400 25.6543 -67.712 -12.3486 -69.2735 -15.203 -5.77033 -12.9619 -9.86526 -17.5636 TIMING: 4999400 CPU: 15894.3, 0.00317619/step Wall: 15894.3, 0.00317619/step, 0.000529366 hours remaining, 237.843750 MB of memory in use. ENERGY: 4999400 3982.8882 20496.6375 14389.3773 247.3855 -203496.8230 2496.8180 0.0000 0.0000 52105.6339 -109778.0825 299.4518 -161883.7164 -109418.7556 298.9650 -104.3748 -72.2631 761199.5901 -2.2787 -2.3708 PRESSURE: 4999600 -22.4023 18.5001 169.906 18.4999 29.7855 14.394 169.906 14.3933 -263.269 GPRESSURE: 4999600 -96.4528 107.799 152.665 2.89542 111.607 -87.264 286.375 14.965 -189.312 PRESSAVG: 4999600 15.2811 -29.1211 -18.9884 -29.1211 13.8872 25.3908 -18.9884 25.3908 -0.411951 GPRESSAVG: 4999600 13.4639 -28.9162 -19.4971 -27.9722 14.3943 24.1188 -20.3408 25.5279 0.838586 TIMING: 4999600 CPU: 15894.9, 0.00317028/step Wall: 15894.9, 0.00317028/step, 0.000352253 hours remaining, 237.843750 MB of memory in use. ENERGY: 4999600 4045.1527 20672.9391 14395.5896 229.4373 -203595.2649 2360.4303 0.0000 0.0000 51909.7849 -109981.9309 298.3262 -161891.7158 -109615.5265 298.9310 -85.2953 -58.0525 758300.1995 9.5854 9.5656 PRESSURE: 4999800 135.944 -104.041 -299.382 -104.041 -145.243 78.2881 -299.382 78.2886 117.531 GPRESSURE: 4999800 150.482 13.3829 -290.685 -35.6637 -34.7112 97.4116 -144.784 186.451 83.9643 PRESSAVG: 4999800 20.114 -4.04491 21.6365 -4.04497 -8.84749 11.3333 21.6365 11.3333 13.7769 GPRESSAVG: 4999800 21.3983 -3.83716 21.64 -2.57512 -9.11245 11.1501 20.6989 14.5422 13.1833 TIMING: 4999800 CPU: 15895.5, 0.00318564/step Wall: 15895.5, 0.00318564/step, 0.00017698 hours remaining, 237.843750 MB of memory in use. ENERGY: 4999800 4021.2259 20626.5583 14411.8774 259.3376 -203339.0410 2222.1030 0.0000 0.0000 51940.5332 -109857.4056 298.5030 -161797.9388 -109497.3214 298.6620 36.0771 66.5784 757292.1746 8.3478 8.4897 PRESSURE: 5000000 352.567 139.388 -212.083 139.388 244.417 -90.4836 -212.084 -90.4837 147.698 GPRESSURE: 5000000 284.111 70.4586 -231.933 37.2784 347.219 -22.1279 -236.353 -204.288 183.262 PRESSAVG: 5000000 -9.17855 -12.3763 -51.0433 -12.3763 56.7919 35.7209 -51.0433 35.7209 3.80547 GPRESSAVG: 5000000 -10.5346 -12.9732 -52.7259 -17.9338 57.7703 35.422 -49.8987 32.9331 4.159 TIMING: 5000000 CPU: 15896.2, 0.00320897/step Wall: 15896.2, 0.00320897/step, 0 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 5000000 3955.2314 20568.1639 14417.5812 256.9600 -204046.3378 2892.6449 0.0000 0.0000 52107.7649 -109847.9915 299.4640 -161955.7564 -109486.9603 299.3702 248.2272 271.5308 756481.3950 17.1396 17.1316 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 5000000 WRITING COORDINATES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 5000000 CLOSING COORDINATE DCD FILE MD.3.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 15908.887695 CPUTime: 15908.887695 Memory: 237.957031 MB [Partition 0][Node 0] End of program Application 48638024 network quiesced: 5 nodes quiesced, 00:04:51 node-seconds Application 48638024 resources: utime ~2502325s, stime ~36376s, Rss ~247624, inblocks ~422620, outblocks ~1178203